smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483894 939058539 /nfs/dbraw/zinc/05/85/39/939058539.db2.gz TWRNQDZDWJMGCU-JPYJTQIMSA-N 0 1 396.462 3.080 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483897 939059030 /nfs/dbraw/zinc/05/90/30/939059030.db2.gz TWRNQDZDWJMGCU-WZONZLPQSA-N 0 1 396.462 3.080 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780352548 939108678 /nfs/dbraw/zinc/10/86/78/939108678.db2.gz WOSYANCXSFFNOL-IAGOWNOFSA-N 0 1 381.904 3.275 20 0 GGADMN CC[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000780391050 939114249 /nfs/dbraw/zinc/11/42/49/939114249.db2.gz OZTBREUTPSUMDT-UXHICEINSA-N 0 1 387.524 3.156 20 0 GGADMN CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000780391051 939114291 /nfs/dbraw/zinc/11/42/91/939114291.db2.gz OZTBREUTPSUMDT-VQTJNVASSA-N 0 1 387.524 3.156 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)C1 ZINC000780432561 939121039 /nfs/dbraw/zinc/12/10/39/939121039.db2.gz MHHAEMQFKGHDDX-ZMPRRUGASA-N 0 1 387.524 3.217 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000780486527 939128178 /nfs/dbraw/zinc/12/81/78/939128178.db2.gz UZDOXEIRRTUVOT-ICSRJNTNSA-N 0 1 387.524 3.231 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000780494950 939128678 /nfs/dbraw/zinc/12/86/78/939128678.db2.gz HNJWHJPCXRPBNX-CRAIPNDOSA-N 0 1 387.505 3.085 20 0 GGADMN C[C@H](CCNC(=O)N[C@H](C(=O)[O-])c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000379603571 939130360 /nfs/dbraw/zinc/13/03/60/939130360.db2.gz FXOLYAJPYNGZDP-PBHICJAKSA-N 0 1 375.494 3.084 20 0 GGADMN C[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383348047 939132270 /nfs/dbraw/zinc/13/22/70/939132270.db2.gz YWLDHKNIFLBHFZ-LESCRADOSA-N 0 1 387.505 3.084 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000780633991 939141772 /nfs/dbraw/zinc/14/17/72/939141772.db2.gz IKQNCWNARZQTHE-VDGAXYAQSA-N 0 1 381.476 3.165 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000780697999 939146629 /nfs/dbraw/zinc/14/66/29/939146629.db2.gz YJMAUQVTEWDZSA-SLYNCCJLSA-N 0 1 395.503 3.412 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)N[C@H](C(=O)[O-])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000780697986 939146708 /nfs/dbraw/zinc/14/67/08/939146708.db2.gz YJMAUQVTEWDZSA-CUWPLCDZSA-N 0 1 395.503 3.412 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000780697982 939146721 /nfs/dbraw/zinc/14/67/21/939146721.db2.gz YEIBDQPHPRNNKQ-MJGOQNOKSA-N 0 1 387.524 3.374 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)N[C@](C)(C(=O)[O-])C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000780700927 939147088 /nfs/dbraw/zinc/14/70/88/939147088.db2.gz SYSAIJNVUXVERF-GFJSAUFNSA-N 0 1 397.878 3.024 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000900290815 939267695 /nfs/dbraw/zinc/26/76/95/939267695.db2.gz BRQYEFGBYFBATL-FPOVZHCZSA-N 0 1 395.503 3.414 20 0 GGADMN Cc1cc(F)ccc1NC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000900321960 939273265 /nfs/dbraw/zinc/27/32/65/939273265.db2.gz BBRDZRWNFJSRNV-OAQYLSRUSA-N 0 1 385.439 3.375 20 0 GGADMN COc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000900328912 939274621 /nfs/dbraw/zinc/27/46/21/939274621.db2.gz XTDNHPYZVZUHEZ-JOCHJYFZSA-N 0 1 397.475 3.245 20 0 GGADMN Cc1c(F)cccc1NC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000900327992 939274774 /nfs/dbraw/zinc/27/47/74/939274774.db2.gz HFSXSLBSKNTIBD-NRFANRHFSA-N 0 1 385.439 3.375 20 0 GGADMN C[C@](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)(C(=O)[O-])c1ccccc1 ZINC000902088788 939284733 /nfs/dbraw/zinc/28/47/33/939284733.db2.gz UPVHVJDUGBYKIA-NZQKXSOJSA-N 0 1 392.499 3.405 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860917 939291014 /nfs/dbraw/zinc/29/10/14/939291014.db2.gz YRDFJFHSSADGND-VQIMIIECSA-N 0 1 388.414 3.119 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC000902862179 939291896 /nfs/dbraw/zinc/29/18/96/939291896.db2.gz GNPUWLPRVPZHJG-VQTJNVASSA-N 0 1 396.462 3.370 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Nc2ccc3c(c2)CCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908620242 939302797 /nfs/dbraw/zinc/30/27/97/939302797.db2.gz LWLYSVCPOBGFRG-QHCPKHFHSA-N 0 1 393.487 3.416 20 0 GGADMN Cc1nc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000908638548 939303944 /nfs/dbraw/zinc/30/39/44/939303944.db2.gz OSFXIJIMAAPHJS-LJQANCHMSA-N 0 1 388.493 3.001 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000908744710 939308370 /nfs/dbraw/zinc/30/83/70/939308370.db2.gz GIWXDLBHGBORRW-ZFWWWQNUSA-N 0 1 399.369 3.026 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000908744707 939308441 /nfs/dbraw/zinc/30/84/41/939308441.db2.gz GIWXDLBHGBORRW-DZGCQCFKSA-N 0 1 399.369 3.026 20 0 GGADMN Cc1ccc([C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908756984 939314221 /nfs/dbraw/zinc/31/42/21/939314221.db2.gz PEDZZNCSZXQBOU-VQTJNVASSA-N 0 1 381.476 3.003 20 0 GGADMN Cc1ccc([C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908756985 939314593 /nfs/dbraw/zinc/31/45/93/939314593.db2.gz PEDZZNCSZXQBOU-WOJBJXKFSA-N 0 1 381.476 3.003 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C(=O)[O-])c1 ZINC000908760560 939315779 /nfs/dbraw/zinc/31/57/79/939315779.db2.gz MAJAUYASTFSDKK-HXUWFJFHSA-N 0 1 383.492 3.250 20 0 GGADMN CC(C)(CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000908807522 939323965 /nfs/dbraw/zinc/32/39/65/939323965.db2.gz OXCRLKAENNRCQD-QGZVFWFLSA-N 0 1 387.505 3.010 20 0 GGADMN C[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000908812855 939325772 /nfs/dbraw/zinc/32/57/72/939325772.db2.gz HZOGNELRIRVODN-XHBSWPGZSA-N 0 1 385.867 3.024 20 0 GGADMN C[N@@H+](CCCNC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000908818958 939327086 /nfs/dbraw/zinc/32/70/86/939327086.db2.gz ZLOPHODXZLYGLU-KRWDZBQOSA-N 0 1 383.439 3.044 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])cc1C ZINC000908816746 939327110 /nfs/dbraw/zinc/32/71/10/939327110.db2.gz MCDKGLURHZQWGY-IBGZPJMESA-N 0 1 375.513 3.383 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])c1 ZINC000908816734 939327340 /nfs/dbraw/zinc/32/73/40/939327340.db2.gz LWFRUGXBPBSBTC-IBGZPJMESA-N 0 1 375.513 3.383 20 0 GGADMN CC[C@](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000908820070 939328030 /nfs/dbraw/zinc/32/80/30/939328030.db2.gz JUAHACPOXDQGME-LLGFUMIMSA-N 0 1 375.513 3.044 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])c1 ZINC000908820157 939328234 /nfs/dbraw/zinc/32/82/34/939328234.db2.gz KLASGNONUIWHMP-ZIFCJYIRSA-N 0 1 375.513 3.096 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000908818981 939328348 /nfs/dbraw/zinc/32/83/48/939328348.db2.gz AAEXTPXPNHUKMM-AHIWAGSCSA-N 0 1 399.894 3.272 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1C ZINC000908820539 939328664 /nfs/dbraw/zinc/32/86/64/939328664.db2.gz NZILOESGUQZYDX-NRFANRHFSA-N 0 1 395.503 3.177 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1C ZINC000908820540 939328750 /nfs/dbraw/zinc/32/87/50/939328750.db2.gz NZILOESGUQZYDX-OAQYLSRUSA-N 0 1 395.503 3.177 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(=O)[O-])c1C ZINC000908822671 939329428 /nfs/dbraw/zinc/32/94/28/939329428.db2.gz FEVZDRUFVVGXPG-LPHOPBHVSA-N 0 1 375.513 3.383 20 0 GGADMN CC[C@@](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000908823063 939329990 /nfs/dbraw/zinc/32/99/90/939329990.db2.gz KEBUEFFVQHHBIY-UTKZUKDTSA-N 0 1 375.513 3.330 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(=O)[O-])cc1C ZINC000908822699 939330232 /nfs/dbraw/zinc/33/02/32/939330232.db2.gz FJJKNEXCGODFDC-PKOBYXMFSA-N 0 1 375.513 3.383 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])c1 ZINC000908827364 939330657 /nfs/dbraw/zinc/33/06/57/939330657.db2.gz IJLKFHPHGQAOFP-KXBFYZLASA-N 0 1 375.513 3.240 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908826946 939330836 /nfs/dbraw/zinc/33/08/36/939330836.db2.gz GXILFGATPHQSJN-KBXCAEBGSA-N 0 1 379.476 3.071 20 0 GGADMN Cc1cc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908826948 939330906 /nfs/dbraw/zinc/33/09/06/939330906.db2.gz GXILFGATPHQSJN-KSSFIOAISA-N 0 1 379.476 3.071 20 0 GGADMN CC[C@@](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000908828265 939331494 /nfs/dbraw/zinc/33/14/94/939331494.db2.gz NDFFJOUKUNWGIO-UTKZUKDTSA-N 0 1 375.513 3.188 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)[O-])cc1C ZINC000908829044 939331936 /nfs/dbraw/zinc/33/19/36/939331936.db2.gz VAOBKDLUDKGJLP-BEFAXECRSA-N 0 1 375.513 3.240 20 0 GGADMN CC[C@](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908846877 939334847 /nfs/dbraw/zinc/33/48/47/939334847.db2.gz FIRXWJMBBCKSAZ-NZQKXSOJSA-N 0 1 395.503 3.340 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908847397 939334898 /nfs/dbraw/zinc/33/48/98/939334898.db2.gz PAYVDNDKWMIJDM-NHCUHLMSSA-N 0 1 395.503 3.393 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908847399 939335092 /nfs/dbraw/zinc/33/50/92/939335092.db2.gz PAYVDNDKWMIJDM-SFTDATJTSA-N 0 1 395.503 3.393 20 0 GGADMN CCC1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908846812 939335284 /nfs/dbraw/zinc/33/52/84/939335284.db2.gz CYODDTNMAHDPMZ-IMYXXEESSA-N 0 1 387.524 3.374 20 0 GGADMN Cc1cccc([C@@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908847681 939335713 /nfs/dbraw/zinc/33/57/13/939335713.db2.gz RTZCBTYSVBLDPW-TZIWHRDSSA-N 0 1 395.503 3.393 20 0 GGADMN O=C([O-])[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC000908847720 939336000 /nfs/dbraw/zinc/33/60/00/939336000.db2.gz SJKPWKDOWGGEEU-WOJBJXKFSA-N 0 1 387.524 3.374 20 0 GGADMN C[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000908852148 939336739 /nfs/dbraw/zinc/33/67/39/939336739.db2.gz UBOPSYREPQJSRC-KSSFIOAISA-N 0 1 393.553 3.218 20 0 GGADMN C[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCCC1)[N@H+]1CCc2sccc2C1 ZINC000908852148 939336744 /nfs/dbraw/zinc/33/67/44/939336744.db2.gz UBOPSYREPQJSRC-KSSFIOAISA-N 0 1 393.553 3.218 20 0 GGADMN O=C([O-])C1(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCCC1 ZINC000908875179 939341184 /nfs/dbraw/zinc/34/11/84/939341184.db2.gz WKQFWGMCNHVKBQ-IBGZPJMESA-N 0 1 387.524 3.375 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000908877352 939342736 /nfs/dbraw/zinc/34/27/36/939342736.db2.gz FMPYGGTXXWDVCT-QFIPXVFZSA-N 0 1 383.492 3.328 20 0 GGADMN C[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)Cc1ccccc1 ZINC000908876572 939343015 /nfs/dbraw/zinc/34/30/15/939343015.db2.gz YFDSDSKNYVXKAG-QGZVFWFLSA-N 0 1 393.846 3.036 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000908877979 939343194 /nfs/dbraw/zinc/34/31/94/939343194.db2.gz NVILTTSXBQVEKA-SFHVURJKSA-N 0 1 391.418 3.042 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000908880764 939343685 /nfs/dbraw/zinc/34/36/85/939343685.db2.gz DMNVTQZGFNZUAQ-LRDDRELGSA-N 0 1 399.894 3.415 20 0 GGADMN CC[C@](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000908882567 939343782 /nfs/dbraw/zinc/34/37/82/939343782.db2.gz ONOQQFBNDUMYCK-IIBYNOLFSA-N 0 1 375.513 3.186 20 0 GGADMN Cc1cc([C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908878844 939343924 /nfs/dbraw/zinc/34/39/24/939343924.db2.gz AZLVCWXBDSDCGO-IYOUNJFTSA-N 0 1 393.503 3.316 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])cc1C ZINC000908881851 939344060 /nfs/dbraw/zinc/34/40/60/939344060.db2.gz JJXXVXBJSILGIR-KHYOSLBOSA-N 0 1 389.540 3.485 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C(=O)[O-])c1 ZINC000908881383 939344089 /nfs/dbraw/zinc/34/40/89/939344089.db2.gz HNLQFTSEKLQOJC-KDOFPFPSSA-N 0 1 375.513 3.239 20 0 GGADMN Cc1cc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908883429 939344264 /nfs/dbraw/zinc/34/42/64/939344264.db2.gz XRAYANMQVSZKEW-GUYCJALGSA-N 0 1 379.476 3.070 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])c1 ZINC000908883411 939344563 /nfs/dbraw/zinc/34/45/63/939344563.db2.gz XBEWXKGQYRUUHC-ZIFCJYIRSA-N 0 1 389.540 3.485 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC000908882924 939344629 /nfs/dbraw/zinc/34/46/29/939344629.db2.gz RGCJOFTVJPRCOG-AHIWAGSCSA-N 0 1 397.466 3.146 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000908882945 939344703 /nfs/dbraw/zinc/34/47/03/939344703.db2.gz RXFOBDJZPFQFOU-VBQJREDUSA-N 0 1 379.476 3.007 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908885314 939344834 /nfs/dbraw/zinc/34/48/34/939344834.db2.gz WOWHPLCKHUAWKD-ZDWFVDTJSA-N 0 1 393.487 3.047 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C(=O)[O-])c1C ZINC000908883457 939345021 /nfs/dbraw/zinc/34/50/21/939345021.db2.gz XZEZXZDUMMRSCQ-RDTXWAMCSA-N 0 1 375.513 3.239 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C(=O)[O-])c1C ZINC000908883455 939345061 /nfs/dbraw/zinc/34/50/61/939345061.db2.gz XZEZXZDUMMRSCQ-KDOFPFPSSA-N 0 1 375.513 3.239 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)(C(=O)[O-])CC1 ZINC000908891868 939346187 /nfs/dbraw/zinc/34/61/87/939346187.db2.gz AOSUAVCNRVHDLA-JXXFODFXSA-N 0 1 393.553 3.293 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)(C(=O)[O-])CC1 ZINC000908891867 939346265 /nfs/dbraw/zinc/34/62/65/939346265.db2.gz AOSUAVCNRVHDLA-FTRWYGJKSA-N 0 1 393.553 3.293 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccs1 ZINC000908892383 939346517 /nfs/dbraw/zinc/34/65/17/939346517.db2.gz GSKDBZTZYMKMGV-XJKSGUPXSA-N 0 1 393.534 3.147 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC000908904975 939348591 /nfs/dbraw/zinc/34/85/91/939348591.db2.gz UMQNNISLYZPNLG-OXQOHEQNSA-N 0 1 383.492 3.385 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC000908904976 939348678 /nfs/dbraw/zinc/34/86/78/939348678.db2.gz UMQNNISLYZPNLG-UZLBHIALSA-N 0 1 383.492 3.385 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000908905713 939348990 /nfs/dbraw/zinc/34/89/90/939348990.db2.gz YUWLSBGQPZUBEG-LRDDRELGSA-N 0 1 385.867 3.024 20 0 GGADMN CCCCCC[N@@H+](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908912992 939350828 /nfs/dbraw/zinc/35/08/28/939350828.db2.gz OTIZHATZDCYUDP-MRXNPFEDSA-N 0 1 385.302 3.203 20 0 GGADMN CCCCCC[N@@H+](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908912991 939350857 /nfs/dbraw/zinc/35/08/57/939350857.db2.gz OTIZHATZDCYUDP-INIZCTEOSA-N 0 1 385.302 3.203 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1C ZINC000908913506 939351076 /nfs/dbraw/zinc/35/10/76/939351076.db2.gz PQOUNQGNPPUPPG-IIBYNOLFSA-N 0 1 395.503 3.175 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908924311 939353735 /nfs/dbraw/zinc/35/37/35/939353735.db2.gz IADXIZNOENXMQC-FPOVZHCZSA-N 0 1 395.503 3.250 20 0 GGADMN Cc1cc([C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908925867 939354659 /nfs/dbraw/zinc/35/46/59/939354659.db2.gz XMYBXYQWGFGISM-YLJYHZDGSA-N 0 1 399.466 3.081 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000908927714 939355529 /nfs/dbraw/zinc/35/55/29/939355529.db2.gz LYVXZGMXWUVLQU-PIGZYNQJSA-N 0 1 390.311 3.323 20 0 GGADMN CC[N@@H+](CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000908929279 939355967 /nfs/dbraw/zinc/35/59/67/939355967.db2.gz YGZIXXLYZMSXNC-QGZVFWFLSA-N 0 1 388.295 3.077 20 0 GGADMN CC[N@@H+](CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)C(C)C ZINC000908929287 939356183 /nfs/dbraw/zinc/35/61/83/939356183.db2.gz YODFITCKQLXBCE-QGZVFWFLSA-N 0 1 390.311 3.323 20 0 GGADMN C[C@@](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908931325 939356331 /nfs/dbraw/zinc/35/63/31/939356331.db2.gz FIFTYXLNYRPGQH-XXBNENTESA-N 0 1 380.488 3.057 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000908936668 939356998 /nfs/dbraw/zinc/35/69/98/939356998.db2.gz NXPDXIZRXRBBEB-CABCVRRESA-N 0 1 387.402 3.005 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)(C(=O)[O-])CC1 ZINC000908938321 939357821 /nfs/dbraw/zinc/35/78/21/939357821.db2.gz ZUAFYNNNSDUKIQ-KZFRKFNSSA-N 0 1 387.524 3.372 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908937025 939357957 /nfs/dbraw/zinc/35/79/57/939357957.db2.gz QOYLNWAUHSSWIG-VQIMIIECSA-N 0 1 381.904 3.204 20 0 GGADMN CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908937023 939358111 /nfs/dbraw/zinc/35/81/11/939358111.db2.gz QOYLNWAUHSSWIG-LPHOPBHVSA-N 0 1 381.904 3.204 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)C1 ZINC000908960553 939361601 /nfs/dbraw/zinc/36/16/01/939361601.db2.gz BAZDIHKMMKMDEI-MAUKXSAKSA-N 0 1 393.503 3.460 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC000908960844 939362428 /nfs/dbraw/zinc/36/24/28/939362428.db2.gz GJIRLCDHTYYKER-DYVFJYSZSA-N 0 1 397.466 3.290 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)C1 ZINC000908961461 939362466 /nfs/dbraw/zinc/36/24/66/939362466.db2.gz OXPURGFHPOPLFU-QAPCUYQASA-N 0 1 391.512 3.021 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000908975761 939363740 /nfs/dbraw/zinc/36/37/40/939363740.db2.gz JQXRFWXHYXNOSK-JXFKEZNVSA-N 0 1 383.492 3.243 20 0 GGADMN CC[C@](NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908977393 939364230 /nfs/dbraw/zinc/36/42/30/939364230.db2.gz WMWDTXLTNGDIRN-MGPUTAFESA-N 0 1 395.931 3.307 20 0 GGADMN CC[C@@](NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908987805 939366297 /nfs/dbraw/zinc/36/62/97/939366297.db2.gz JFLZVDJNMANHEG-VGSWGCGISA-N 0 1 383.492 3.196 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000908986800 939366305 /nfs/dbraw/zinc/36/63/05/939366305.db2.gz POHVKIIVSNJCTN-YOIRWDDOSA-N 0 1 388.295 3.075 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000908986798 939366344 /nfs/dbraw/zinc/36/63/44/939366344.db2.gz POHVKIIVSNJCTN-ILMHXZGMSA-N 0 1 388.295 3.075 20 0 GGADMN Cc1cc([C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908988394 939366601 /nfs/dbraw/zinc/36/66/01/939366601.db2.gz LYXRGDGEEKFBHS-KXBFYZLASA-N 0 1 387.455 3.080 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C(=O)[O-])cc1C ZINC000908990821 939366885 /nfs/dbraw/zinc/36/68/85/939366885.db2.gz VPGFBPUTYDMVTE-FXAWDEMLSA-N 0 1 383.492 3.249 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1C ZINC000908998073 939368375 /nfs/dbraw/zinc/36/83/75/939368375.db2.gz PQDJZRQOJXOUFA-PZJWPPBQSA-N 0 1 395.503 3.393 20 0 GGADMN Cc1cc([C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908998413 939368616 /nfs/dbraw/zinc/36/86/16/939368616.db2.gz QXTGXPDVHFKWCR-AZUAARDMSA-N 0 1 399.466 3.224 20 0 GGADMN Cc1cc([C@H](NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908998415 939369263 /nfs/dbraw/zinc/36/92/63/939369263.db2.gz QXTGXPDVHFKWCR-QUCCMNQESA-N 0 1 399.466 3.224 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])cc1C ZINC000908999469 939369318 /nfs/dbraw/zinc/36/93/18/939369318.db2.gz ZBGJFGQJDIGFHA-LEWJYISDSA-N 0 1 395.503 3.393 20 0 GGADMN CCC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)(C(=O)[O-])CC1 ZINC000909000821 939369419 /nfs/dbraw/zinc/36/94/19/939369419.db2.gz DOHZLVGDQWFGKU-KJUWTFRMSA-N 0 1 387.524 3.372 20 0 GGADMN CCC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)(C(=O)[O-])CC1 ZINC000909000820 939369578 /nfs/dbraw/zinc/36/95/78/939369578.db2.gz DOHZLVGDQWFGKU-JPNCZVRGSA-N 0 1 387.524 3.372 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000908998498 939369595 /nfs/dbraw/zinc/36/95/95/939369595.db2.gz SODDJQFFWGFWSW-RTWAWAEBSA-N 0 1 395.503 3.393 20 0 GGADMN CC[C@](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908998435 939369635 /nfs/dbraw/zinc/36/96/35/939369635.db2.gz RKXTZFQTJLGFEN-NZQKXSOJSA-N 0 1 395.503 3.340 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C(=O)[O-])c1 ZINC000909002148 939370220 /nfs/dbraw/zinc/37/02/20/939370220.db2.gz PUPOKPRINHOMHF-UIFIKXQLSA-N 0 1 395.503 3.391 20 0 GGADMN CC[C@](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909001694 939370294 /nfs/dbraw/zinc/37/02/94/939370294.db2.gz NIBFRWPIIGXGIV-KPDCDPCYSA-N 0 1 395.503 3.339 20 0 GGADMN CC[C@](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000909001515 939370391 /nfs/dbraw/zinc/37/03/91/939370391.db2.gz NIBFRWPIIGXGIV-DHJUGAMNSA-N 0 1 395.503 3.339 20 0 GGADMN 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3.058 20 0 GGADMN Brc1cccc(C2CC[NH+](Cc3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001573280353 946659498 /nfs/dbraw/zinc/65/94/98/946659498.db2.gz UVKKVBJZQNWFJL-UHFFFAOYSA-N 0 1 399.296 3.404 20 0 GGADMN Brc1cccc(C2CC[NH+](Cc3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001573280353 946659510 /nfs/dbraw/zinc/65/95/10/946659510.db2.gz UVKKVBJZQNWFJL-UHFFFAOYSA-N 0 1 399.296 3.404 20 0 GGADMN C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824414288 946700971 /nfs/dbraw/zinc/70/09/71/946700971.db2.gz YTFOUOIBWJXJSW-AWEZNQCLSA-N 0 1 379.493 3.360 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824470501 946722894 /nfs/dbraw/zinc/72/28/94/946722894.db2.gz IYVLSDVAPQGVJM-FOIQADDNSA-N 0 1 390.491 3.195 20 0 GGADMN CN(Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000825980868 947391071 /nfs/dbraw/zinc/39/10/71/947391071.db2.gz JRGJZCRPGISKQI-UHFFFAOYSA-N 0 1 377.427 3.038 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000327453655 971399999 /nfs/dbraw/zinc/39/99/99/971399999.db2.gz XUKSLTIEGSTHMM-CQSZACIVSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000327453655 971400000 /nfs/dbraw/zinc/40/00/00/971400000.db2.gz XUKSLTIEGSTHMM-CQSZACIVSA-N 0 1 375.734 3.229 20 0 GGADMN Fc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826371933 948157129 /nfs/dbraw/zinc/15/71/29/948157129.db2.gz ZOTMFQIFYYKEKA-ZDUSSCGKSA-N 0 1 395.364 3.058 20 0 GGADMN O=C1[C@H](N2CCC[C@@H]2c2ccsc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476460 948381162 /nfs/dbraw/zinc/38/11/62/948381162.db2.gz IDGCUWDUBHEJQW-QZTJIDSGSA-N 0 1 394.504 3.261 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](c2ccccc2)C1 ZINC001573756061 948794972 /nfs/dbraw/zinc/79/49/72/948794972.db2.gz LTHJXKHNZDPBBQ-HIFRSBDPSA-N 0 1 396.882 3.337 20 0 GGADMN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575503355 949041987 /nfs/dbraw/zinc/04/19/87/949041987.db2.gz LCNGBAKZBHEOSC-LURJTMIESA-N 0 1 399.814 3.480 20 0 GGADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602786542 971536562 /nfs/dbraw/zinc/53/65/62/971536562.db2.gz XGJYPBRYFMGJQS-CABCVRRESA-N 0 1 389.521 3.220 20 0 GGADMN CC[C@@H](c1nnc(SCCCC(=O)[O-])n1-c1ccc(OC)cc1)[NH+](C)C ZINC001589586792 949057717 /nfs/dbraw/zinc/05/77/17/949057717.db2.gz WNQPRCPKEFFIEE-HNNXBMFYSA-N 0 1 378.498 3.246 20 0 GGADMN CC(C)[C@H]1N(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CC12CCCCCC2 ZINC001574098549 949161891 /nfs/dbraw/zinc/16/18/91/949161891.db2.gz CSUUAJMMLDHFRS-OAHLLOKOSA-N 0 1 395.554 3.298 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)CCCC(=O)[O-] ZINC001602795980 971558307 /nfs/dbraw/zinc/55/83/07/971558307.db2.gz QKKZXBRREMOUMW-CQSZACIVSA-N 0 1 376.453 3.242 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC001589604736 949229635 /nfs/dbraw/zinc/22/96/35/949229635.db2.gz FUXUXSZUARHNKJ-HXUWFJFHSA-N 0 1 388.537 3.272 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC001589605149 949241697 /nfs/dbraw/zinc/24/16/97/949241697.db2.gz LHYRLNFHUVAGKM-YOEHRIQHSA-N 0 1 375.387 3.022 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC001589605145 949243600 /nfs/dbraw/zinc/24/36/00/949243600.db2.gz LHYRLNFHUVAGKM-RHSMWYFYSA-N 0 1 375.387 3.022 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(=O)OC)c(Br)c2)C1 ZINC001589606408 949287536 /nfs/dbraw/zinc/28/75/36/949287536.db2.gz OEJALHJGGYFHFH-KRWDZBQOSA-N 0 1 384.270 3.313 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC001589606547 949289014 /nfs/dbraw/zinc/28/90/14/949289014.db2.gz UYCMILNOMWGNKG-MPBGBICISA-N 0 1 388.537 3.475 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001595227663 949325753 /nfs/dbraw/zinc/32/57/53/949325753.db2.gz NAJXCKUIVOWCBK-GOSISDBHSA-N 0 1 388.414 3.158 20 0 GGADMN CC[C@@H](C)[N@H+](CCOc1ccccc1C(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000183911082 949494047 /nfs/dbraw/zinc/49/40/47/949494047.db2.gz ABBUGSASYHBYHY-OAHLLOKOSA-N 0 1 395.459 3.301 20 0 GGADMN CC[C@@H](C)[N@@H+](CCOc1ccccc1C(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000183911082 949494059 /nfs/dbraw/zinc/49/40/59/949494059.db2.gz ABBUGSASYHBYHY-OAHLLOKOSA-N 0 1 395.459 3.301 20 0 GGADMN C[C@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001602805066 971585003 /nfs/dbraw/zinc/58/50/03/971585003.db2.gz NGUIZIHJGMNPNL-GXFFZTMASA-N 0 1 380.794 3.102 20 0 GGADMN C[C@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001602805066 971585006 /nfs/dbraw/zinc/58/50/06/971585006.db2.gz NGUIZIHJGMNPNL-GXFFZTMASA-N 0 1 380.794 3.102 20 0 GGADMN O=C([O-])c1ccccc1C[NH2+]Cc1ccc(F)cc1I ZINC001595255819 949608024 /nfs/dbraw/zinc/60/80/24/949608024.db2.gz YCKMMTYKBKQZSS-UHFFFAOYSA-N 0 1 385.176 3.418 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001589639431 949660414 /nfs/dbraw/zinc/66/04/14/949660414.db2.gz XFTYPRNJCRFKNN-SFHVURJKSA-N 0 1 382.464 3.298 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589650707 949777041 /nfs/dbraw/zinc/77/70/41/949777041.db2.gz RYNQFFJNWBIXND-ZWKOTPCHSA-N 0 1 377.529 3.325 20 0 GGADMN CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589650707 949777059 /nfs/dbraw/zinc/77/70/59/949777059.db2.gz RYNQFFJNWBIXND-ZWKOTPCHSA-N 0 1 377.529 3.325 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589650706 949778392 /nfs/dbraw/zinc/77/83/92/949778392.db2.gz RYNQFFJNWBIXND-ROUUACIJSA-N 0 1 377.529 3.325 20 0 GGADMN CCCCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589650706 949778412 /nfs/dbraw/zinc/77/84/12/949778412.db2.gz RYNQFFJNWBIXND-ROUUACIJSA-N 0 1 377.529 3.325 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001595270923 949823678 /nfs/dbraw/zinc/82/36/78/949823678.db2.gz JLSUAZJUHXUAPM-PXNSSMCTSA-N 0 1 394.475 3.298 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589659316 949843004 /nfs/dbraw/zinc/84/30/04/949843004.db2.gz KOICJKMFSVJJFD-GFCCVEGCSA-N 0 1 398.301 3.343 20 0 GGADMN O=C([O-])c1n[nH]cc1NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001595272711 949848984 /nfs/dbraw/zinc/84/89/84/949848984.db2.gz QTAMNPHGJXOPLB-KRWDZBQOSA-N 0 1 396.422 3.087 20 0 GGADMN O=C([O-])Cc1sccc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000379209458 971614285 /nfs/dbraw/zinc/61/42/85/971614285.db2.gz MTXZQAZRFDPQQX-QGZVFWFLSA-N 0 1 386.517 3.407 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001589669653 949919610 /nfs/dbraw/zinc/91/96/10/949919610.db2.gz LFCQNWHJMRLTAA-OAHLLOKOSA-N 0 1 380.485 3.134 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)C1CC1 ZINC001602821658 971628910 /nfs/dbraw/zinc/62/89/10/971628910.db2.gz MADMVPBMXQUKQJ-CABCVRRESA-N 0 1 392.496 3.275 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1)C1CC1 ZINC001602821658 971628914 /nfs/dbraw/zinc/62/89/14/971628914.db2.gz MADMVPBMXQUKQJ-CABCVRRESA-N 0 1 392.496 3.275 20 0 GGADMN CC[N@@H+](CC(=O)NCC(=O)[O-])Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC000262176271 950078189 /nfs/dbraw/zinc/07/81/89/950078189.db2.gz DVGRRFKPCGINIJ-UHFFFAOYSA-N 0 1 398.503 3.214 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263105096 950268332 /nfs/dbraw/zinc/26/83/32/950268332.db2.gz KLFOVGPYWCXZIQ-CHWSQXEVSA-N 0 1 383.286 3.353 20 0 GGADMN CC(C)(C)OC(=O)[C@](C)(C[NH2+]Cc1csc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573850176 950269405 /nfs/dbraw/zinc/26/94/05/950269405.db2.gz GUCYOFIPZQTTJD-HXUWFJFHSA-N 0 1 399.520 3.317 20 0 GGADMN CC(C)(C)OC(=O)[C@](C)(C[NH2+]Cc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573850176 950269429 /nfs/dbraw/zinc/26/94/29/950269429.db2.gz GUCYOFIPZQTTJD-HXUWFJFHSA-N 0 1 399.520 3.317 20 0 GGADMN CC(C)(C)OC(=O)C[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC001573850606 950279174 /nfs/dbraw/zinc/27/91/74/950279174.db2.gz LLMQQYDOWJVFPV-CQSZACIVSA-N 0 1 375.448 3.092 20 0 GGADMN C[N@@H+](CCCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)Cc1ccccc1 ZINC000379636323 971651921 /nfs/dbraw/zinc/65/19/21/971651921.db2.gz MFAWUWBMDFZGGH-GOSISDBHSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000263163095 950304933 /nfs/dbraw/zinc/30/49/33/950304933.db2.gz GHTZTHVCYVNENJ-GQIGUUNPSA-N 0 1 398.503 3.238 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@@H](C)C[C@H](C(=O)[O-])C3)ccc2c1 ZINC000263163093 950305004 /nfs/dbraw/zinc/30/50/04/950305004.db2.gz GHTZTHVCYVNENJ-FTRWYGJKSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310637 950362361 /nfs/dbraw/zinc/36/23/61/950362361.db2.gz HXMMKDPPMDMRMD-WIBUTAKZSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316427 950363811 /nfs/dbraw/zinc/36/38/11/950363811.db2.gz IUSROTICTNKWPJ-CMPLNLGQSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316427 950363828 /nfs/dbraw/zinc/36/38/28/950363828.db2.gz IUSROTICTNKWPJ-CMPLNLGQSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000263314324 950364124 /nfs/dbraw/zinc/36/41/24/950364124.db2.gz IKQAEZMPTUOICT-IUCAKERBSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000263314324 950364142 /nfs/dbraw/zinc/36/41/42/950364142.db2.gz IKQAEZMPTUOICT-IUCAKERBSA-N 0 1 386.271 3.103 20 0 GGADMN CC(C)C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000263323139 950368293 /nfs/dbraw/zinc/36/82/93/950368293.db2.gz JNVIJZRKOSJRRV-UXHICEINSA-N 0 1 389.540 3.335 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)s2)c1 ZINC000263326330 950371223 /nfs/dbraw/zinc/37/12/23/950371223.db2.gz KPXJLBFSEZPJAQ-GDBMZVCRSA-N 0 1 387.505 3.023 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)s2)c1 ZINC000263326330 950371233 /nfs/dbraw/zinc/37/12/33/950371233.db2.gz KPXJLBFSEZPJAQ-GDBMZVCRSA-N 0 1 387.505 3.023 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000263365104 950405457 /nfs/dbraw/zinc/40/54/57/950405457.db2.gz SXCMMXZEMMQMIZ-FUHWJXTLSA-N 0 1 382.460 3.247 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000263365087 950405987 /nfs/dbraw/zinc/40/59/87/950405987.db2.gz SWNHFJCGLJNCQP-NQIIRXRSSA-N 0 1 386.536 3.209 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000263365105 950406079 /nfs/dbraw/zinc/40/60/79/950406079.db2.gz SXCMMXZEMMQMIZ-SJLPKXTDSA-N 0 1 382.460 3.247 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC000263382314 950422810 /nfs/dbraw/zinc/42/28/10/950422810.db2.gz PBSBJAROSXOBGF-UHFFFAOYSA-N 0 1 381.476 3.239 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000263385290 950427497 /nfs/dbraw/zinc/42/74/97/950427497.db2.gz XZGZGBKSFXRJLZ-VQIMIIECSA-N 0 1 378.472 3.493 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1)CC1CC1 ZINC000263510959 950499956 /nfs/dbraw/zinc/49/99/56/950499956.db2.gz YSMLFVGMHORVMQ-UHFFFAOYSA-N 0 1 387.524 3.428 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1)CC(C)C ZINC001589730747 950504849 /nfs/dbraw/zinc/50/48/49/950504849.db2.gz UZFWDGGVMPIVED-UHFFFAOYSA-N 0 1 376.501 3.392 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC1)CC1CC1 ZINC001589730728 950505358 /nfs/dbraw/zinc/50/53/58/950505358.db2.gz SSASUXPKSXGRSB-UHFFFAOYSA-N 0 1 378.557 3.484 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2Br)[C@@H](C)C1 ZINC001589742163 950619423 /nfs/dbraw/zinc/61/94/23/950619423.db2.gz JBOSQCYMULQOJA-XHDPSFHLSA-N 0 1 398.301 3.341 20 0 GGADMN C[C@H]1CCN(Cc2ccc(Cl)cc2-c2nn[nH]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001576213716 950642454 /nfs/dbraw/zinc/64/24/54/950642454.db2.gz HFANXMRYHWZVBV-BLLLJJGKSA-N 0 1 391.903 3.320 20 0 GGADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccsc3-c3nnn[n-]3)cc2)CC1 ZINC001576214959 950685966 /nfs/dbraw/zinc/68/59/66/950685966.db2.gz RYJKUAVNGGBCFV-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccsc3-c3nn[n-]n3)cc2)CC1 ZINC001576214959 950685978 /nfs/dbraw/zinc/68/59/78/950685978.db2.gz RYJKUAVNGGBCFV-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN CCOC(=O)C1([N@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCCCC1 ZINC001590179634 950868915 /nfs/dbraw/zinc/86/89/15/950868915.db2.gz SAEXIMPVDYRSLT-MRXNPFEDSA-N 0 1 392.496 3.278 20 0 GGADMN CCOC(=O)C1([N@@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCCCC1 ZINC001590179634 950868931 /nfs/dbraw/zinc/86/89/31/950868931.db2.gz SAEXIMPVDYRSLT-MRXNPFEDSA-N 0 1 392.496 3.278 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000320691934 950996795 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3.279 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001591426410 951138566 /nfs/dbraw/zinc/13/85/66/951138566.db2.gz QUYDSNZNTISWRY-SNVBAGLBSA-N 0 1 396.237 3.279 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)CCC(C)(C)C)c(C(=O)[O-])c1C ZINC001591426647 951139222 /nfs/dbraw/zinc/13/92/22/951139222.db2.gz SSVPDDFUVMUJPE-UHFFFAOYSA-N 0 1 384.498 3.238 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)c(C(=O)[O-])c1C ZINC001591426743 951141019 /nfs/dbraw/zinc/14/10/19/951141019.db2.gz WLBGEFMVBDDIJY-LLVKDONJSA-N 0 1 394.493 3.133 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@H]2C(C)C)c(C(=O)[O-])c1C ZINC001591467135 951152045 /nfs/dbraw/zinc/15/20/45/951152045.db2.gz WBPIKAHAIVJNOZ-ZDUSSCGKSA-N 0 1 396.509 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c(C(=O)[O-])c1C ZINC001591467331 951153664 /nfs/dbraw/zinc/15/36/64/951153664.db2.gz YTFBHSQOWLDSEC-VXGBXAGGSA-N 0 1 396.509 3.238 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379604729 951169055 /nfs/dbraw/zinc/16/90/55/951169055.db2.gz AACAYEBEJSHOOY-LAUBAEHRSA-N 0 1 375.513 3.183 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379626185 951170685 /nfs/dbraw/zinc/17/06/85/951170685.db2.gz GNWDIXMJZNYTKW-WMZOPIPTSA-N 0 1 375.513 3.230 20 0 GGADMN C[C@@H](CCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000379647410 951170937 /nfs/dbraw/zinc/17/09/37/951170937.db2.gz ZPLZAGGFPVBBTO-PKOBYXMFSA-N 0 1 375.513 3.326 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379610092 951171069 /nfs/dbraw/zinc/17/10/69/951171069.db2.gz HYWPRRYZOVECKD-GOSISDBHSA-N 0 1 375.513 3.231 20 0 GGADMN C[C@@H](CCNC(=O)N1CCCC[C@H]1CCC(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000379647407 951171243 /nfs/dbraw/zinc/17/12/43/951171243.db2.gz ZPLZAGGFPVBBTO-HKUYNNGSSA-N 0 1 375.513 3.326 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC(=O)[O-] ZINC000382592837 951224186 /nfs/dbraw/zinc/22/41/86/951224186.db2.gz BVUFKLJQQFGDQU-MJGOQNOKSA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(=O)[O-] ZINC000382592837 951224201 /nfs/dbraw/zinc/22/42/01/951224201.db2.gz BVUFKLJQQFGDQU-MJGOQNOKSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001595008975 951239227 /nfs/dbraw/zinc/23/92/27/951239227.db2.gz ZFZZXVDLEDMBRC-ROUUACIJSA-N 0 1 394.462 3.390 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC001595013152 951276157 /nfs/dbraw/zinc/27/61/57/951276157.db2.gz YXELXZXJNBACQK-ZWKOTPCHSA-N 0 1 394.462 3.247 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001595018730 951305438 /nfs/dbraw/zinc/30/54/38/951305438.db2.gz BYTYEDOQURGVPI-GFCCVEGCSA-N 0 1 379.507 3.387 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001595018730 951305450 /nfs/dbraw/zinc/30/54/50/951305450.db2.gz BYTYEDOQURGVPI-GFCCVEGCSA-N 0 1 379.507 3.387 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001595019631 951315016 /nfs/dbraw/zinc/31/50/16/951315016.db2.gz WMLINRWOKVILAT-SWLSCSKDSA-N 0 1 376.280 3.310 20 0 GGADMN CCOc1ccc(C[N@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)o1 ZINC001592447104 951331987 /nfs/dbraw/zinc/33/19/87/951331987.db2.gz DMRDIGOTANSAQG-HNNXBMFYSA-N 0 1 396.484 3.212 20 0 GGADMN CCOc1ccc(Cl)cc1C[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001592663464 951348125 /nfs/dbraw/zinc/34/81/25/951348125.db2.gz XVBWTVJKBAAWOY-DZGCQCFKSA-N 0 1 377.872 3.163 20 0 GGADMN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001602874342 971747135 /nfs/dbraw/zinc/74/71/35/971747135.db2.gz JWGZVJYVQNPTKR-INIZCTEOSA-N 0 1 392.496 3.134 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001595136952 952059804 /nfs/dbraw/zinc/05/98/04/952059804.db2.gz SKGHBXLCCWRZMW-SFHVURJKSA-N 0 1 399.516 3.053 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001595136952 952059809 /nfs/dbraw/zinc/05/98/09/952059809.db2.gz SKGHBXLCCWRZMW-SFHVURJKSA-N 0 1 399.516 3.053 20 0 GGADMN O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001595161290 952197997 /nfs/dbraw/zinc/19/79/97/952197997.db2.gz TTYAABFSUGKLBS-SFTDATJTSA-N 0 1 398.478 3.493 20 0 GGADMN O=C([O-])[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001595164836 952206421 /nfs/dbraw/zinc/20/64/21/952206421.db2.gz GAUZLYQQLWKKBJ-PMACEKPBSA-N 0 1 384.451 3.103 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001595180042 952249019 /nfs/dbraw/zinc/24/90/19/952249019.db2.gz XMSNGIHZCIVSBF-KZNAEPCWSA-N 0 1 384.501 3.075 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001595180042 952249023 /nfs/dbraw/zinc/24/90/23/952249023.db2.gz XMSNGIHZCIVSBF-KZNAEPCWSA-N 0 1 384.501 3.075 20 0 GGADMN C[C@H](Cc1ccsc1)N(C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001575200715 952497636 /nfs/dbraw/zinc/49/76/36/952497636.db2.gz FOPOPHCGGDKMJX-GFCCVEGCSA-N 0 1 381.465 3.041 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594739385 953361974 /nfs/dbraw/zinc/36/19/74/953361974.db2.gz YUDRTJAURGUDQT-BZSNNMDCSA-N 0 1 399.516 3.010 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594739385 953361980 /nfs/dbraw/zinc/36/19/80/953361980.db2.gz YUDRTJAURGUDQT-BZSNNMDCSA-N 0 1 399.516 3.010 20 0 GGADMN CCSc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(Br)c1 ZINC001593597095 953378466 /nfs/dbraw/zinc/37/84/66/953378466.db2.gz CTBHRVYTUDYHTL-LRDDRELGSA-N 0 1 386.311 3.094 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCCCC(=O)[O-])cc2)C1 ZINC000414602637 953396785 /nfs/dbraw/zinc/39/67/85/953396785.db2.gz UAUSCCAFAKLIPX-QGZVFWFLSA-N 0 1 375.513 3.363 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CCCC(=O)[O-])C1 ZINC000414614259 953399803 /nfs/dbraw/zinc/39/98/03/953399803.db2.gz NYPJXRBAGZLQAW-CALCHBBNSA-N 0 1 375.513 3.171 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001594750578 953423781 /nfs/dbraw/zinc/42/37/81/953423781.db2.gz FRLLHGWHLSSLJO-SFHVURJKSA-N 0 1 394.475 3.204 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424262068 953441436 /nfs/dbraw/zinc/44/14/36/953441436.db2.gz PYQNPIZXWBOYFK-SJLPKXTDSA-N 0 1 376.497 3.372 20 0 GGADMN C[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H]1C(=O)[O-] ZINC000424270180 953447005 /nfs/dbraw/zinc/44/70/05/953447005.db2.gz QFKRTEBZZYRJLY-UGSOOPFHSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H]1C(=O)[O-] ZINC000424270180 953447016 /nfs/dbraw/zinc/44/70/16/953447016.db2.gz QFKRTEBZZYRJLY-UGSOOPFHSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H]1C(=O)[O-] ZINC000424270177 953448446 /nfs/dbraw/zinc/44/84/46/953448446.db2.gz QFKRTEBZZYRJLY-ACJLOTCBSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H]1C(=O)[O-] ZINC000424270177 953448456 /nfs/dbraw/zinc/44/84/56/953448456.db2.gz QFKRTEBZZYRJLY-ACJLOTCBSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCC(C)(C)C(=O)[O-])cc2)C1 ZINC000424391726 953458184 /nfs/dbraw/zinc/45/81/84/953458184.db2.gz IENBKNFBRVEXDD-CALCHBBNSA-N 0 1 389.540 3.465 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424392557 953458768 /nfs/dbraw/zinc/45/87/68/953458768.db2.gz JZIZHSJEDFNSHH-MRXNPFEDSA-N 0 1 375.513 3.361 20 0 GGADMN CC(C)(CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(=O)[O-] ZINC000424402860 953466348 /nfs/dbraw/zinc/46/63/48/953466348.db2.gz IBLAZJOLEKYYQZ-QFIPXVFZSA-N 0 1 387.524 3.185 20 0 GGADMN CCC(CC)(CNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000424401475 953466790 /nfs/dbraw/zinc/46/67/90/953466790.db2.gz AGKVMEXOQNGYCI-IAGOWNOFSA-N 0 1 375.513 3.182 20 0 GGADMN CC(C)(CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000424406579 953472778 /nfs/dbraw/zinc/47/27/78/953472778.db2.gz REEIJKFGBFYBLK-OALUTQOASA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000424407944 953474766 /nfs/dbraw/zinc/47/47/66/953474766.db2.gz HOCJZDQZXMFNBS-MJGOQNOKSA-N 0 1 381.561 3.419 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424410669 953476633 /nfs/dbraw/zinc/47/66/33/953476633.db2.gz ZGQQKYPVETUTBT-SFHVURJKSA-N 0 1 375.513 3.041 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424410457 953476664 /nfs/dbraw/zinc/47/66/64/953476664.db2.gz YZXOJILVJIKBRH-AEFFLSMTSA-N 0 1 375.513 3.182 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424410668 953476965 /nfs/dbraw/zinc/47/69/65/953476965.db2.gz ZGQQKYPVETUTBT-GOSISDBHSA-N 0 1 375.513 3.041 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001589279994 953485607 /nfs/dbraw/zinc/48/56/07/953485607.db2.gz SPXCSQXMKUVJTD-RDJZCZTQSA-N 0 1 399.516 3.355 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000424443459 953486480 /nfs/dbraw/zinc/48/64/80/953486480.db2.gz AZQXMIBJGXXLJI-FUHWJXTLSA-N 0 1 375.513 3.087 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001589279992 953486752 /nfs/dbraw/zinc/48/67/52/953486752.db2.gz SPXCSQXMKUVJTD-DOTOQJQBSA-N 0 1 399.516 3.355 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280263 953495337 /nfs/dbraw/zinc/49/53/37/953495337.db2.gz YEPGTRVVOZWBHT-QWHCGFSZSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280263 953495345 /nfs/dbraw/zinc/49/53/45/953495345.db2.gz YEPGTRVVOZWBHT-QWHCGFSZSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000449143235 953512545 /nfs/dbraw/zinc/51/25/45/953512545.db2.gz HQKMDLUVUODBPU-JTDSTZFVSA-N 0 1 390.524 3.305 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000449143235 953512557 /nfs/dbraw/zinc/51/25/57/953512557.db2.gz HQKMDLUVUODBPU-JTDSTZFVSA-N 0 1 390.524 3.305 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589284731 953550572 /nfs/dbraw/zinc/55/05/72/953550572.db2.gz CMGUTQUEHOQQHG-XWTMOSNGSA-N 0 1 377.529 3.037 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000530210244 953559627 /nfs/dbraw/zinc/55/96/27/953559627.db2.gz ZOHNKPKBAJWAPB-TZIWHRDSSA-N 0 1 384.501 3.161 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000530210244 953559641 /nfs/dbraw/zinc/55/96/41/953559641.db2.gz ZOHNKPKBAJWAPB-TZIWHRDSSA-N 0 1 384.501 3.161 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)CC2)cc1 ZINC000532881313 953567933 /nfs/dbraw/zinc/56/79/33/953567933.db2.gz NIKLMBXSXAFGPQ-NRFANRHFSA-N 0 1 386.536 3.353 20 0 GGADMN O=C([O-])C[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000533189492 953568136 /nfs/dbraw/zinc/56/81/36/953568136.db2.gz ADUGYNQHZYXYCQ-LPHOPBHVSA-N 0 1 398.425 3.154 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)C[N@H+]1Cc1ccccc1 ZINC001589285788 953568300 /nfs/dbraw/zinc/56/83/00/953568300.db2.gz GJASDJCPEGBOMH-DOTOQJQBSA-N 0 1 382.464 3.202 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H](CC(=O)[O-])C3)ccc2c1 ZINC000532881972 953568288 /nfs/dbraw/zinc/56/82/88/953568288.db2.gz RYRCBWHYSDTCLR-IAGOWNOFSA-N 0 1 398.503 3.382 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000533203287 953570239 /nfs/dbraw/zinc/57/02/39/953570239.db2.gz VNQCNUZKZREKEO-HNNXBMFYSA-N 0 1 398.425 3.383 20 0 GGADMN CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)n(-c2ccccc2)n1 ZINC000533203126 953570605 /nfs/dbraw/zinc/57/06/05/953570605.db2.gz MJTALJLKPGMEMZ-INIZCTEOSA-N 0 1 398.507 3.295 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000563280641 953597502 /nfs/dbraw/zinc/59/75/02/953597502.db2.gz ZBJPMVYCLPQHPM-QFIPXVFZSA-N 0 1 384.476 3.201 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000566234877 953621564 /nfs/dbraw/zinc/62/15/64/953621564.db2.gz PENZMQGIBNEXRI-UHFFFAOYSA-N 0 1 376.497 3.014 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000566368954 953625723 /nfs/dbraw/zinc/62/57/23/953625723.db2.gz WNAQRWONDRXNGO-MAUKXSAKSA-N 0 1 379.378 3.293 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000567048624 953629087 /nfs/dbraw/zinc/62/90/87/953629087.db2.gz JEDJNDHZUDFVNB-UHFFFAOYSA-N 0 1 399.278 3.030 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000567595427 953633494 /nfs/dbraw/zinc/63/34/94/953633494.db2.gz HNVDRRSWUKEAFB-JOCHJYFZSA-N 0 1 396.443 3.427 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000567858215 953637311 /nfs/dbraw/zinc/63/73/11/953637311.db2.gz XPHRIQJWYGOZDE-QRFRQXIXSA-N 0 1 388.508 3.324 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1C(=O)[O-] ZINC000569336625 953648341 /nfs/dbraw/zinc/64/83/41/953648341.db2.gz FWBNUZULMARTSM-UZLBHIALSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@@H]1C(=O)[O-] ZINC000569336625 953648347 /nfs/dbraw/zinc/64/83/47/953648347.db2.gz FWBNUZULMARTSM-UZLBHIALSA-N 0 1 399.491 3.164 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000569575540 953650837 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ZINC000662236913 954398238 /nfs/dbraw/zinc/39/82/38/954398238.db2.gz XJPCCGDYMUKRRM-IRLDBZIGSA-N 0 1 378.472 3.254 20 0 GGADMN C[N@@H+](CCCOc1c(Br)cccc1Br)CCC(=O)[O-] ZINC001593750522 954401689 /nfs/dbraw/zinc/40/16/89/954401689.db2.gz YOCQEAUGPCDTDH-UHFFFAOYSA-N 0 1 395.091 3.387 20 0 GGADMN C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC001593751817 954423831 /nfs/dbraw/zinc/42/38/31/954423831.db2.gz MXAYHGVQNHSLSO-LEWJYISDSA-N 0 1 380.488 3.258 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402083 954439058 /nfs/dbraw/zinc/43/90/58/954439058.db2.gz WYKJTEHIMJLHRQ-HRAATJIYSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402083 954439061 /nfs/dbraw/zinc/43/90/61/954439061.db2.gz WYKJTEHIMJLHRQ-HRAATJIYSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402083 954439067 /nfs/dbraw/zinc/43/90/67/954439067.db2.gz WYKJTEHIMJLHRQ-HRAATJIYSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589402089 954439576 /nfs/dbraw/zinc/43/95/76/954439576.db2.gz WZKOWAUSPPFXCJ-QWHZDKJVSA-N 0 1 382.464 3.058 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC=CC1 ZINC000663083437 954461726 /nfs/dbraw/zinc/46/17/26/954461726.db2.gz BTVXLSBZYPWAQU-KRWDZBQOSA-N 0 1 376.884 3.232 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC=CC1 ZINC000663083437 954461733 /nfs/dbraw/zinc/46/17/33/954461733.db2.gz BTVXLSBZYPWAQU-KRWDZBQOSA-N 0 1 376.884 3.232 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC001593760082 954477045 /nfs/dbraw/zinc/47/70/45/954477045.db2.gz QWVOXSYYDTXPDD-HXUWFJFHSA-N 0 1 381.476 3.346 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001593761075 954493149 /nfs/dbraw/zinc/49/31/49/954493149.db2.gz PWWHXKPHDOEUNL-DLBZAZTESA-N 0 1 398.425 3.239 20 0 GGADMN C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)[C@H](C(=O)[O-])C1CC1 ZINC001593761114 954494846 /nfs/dbraw/zinc/49/48/46/954494846.db2.gz SRGQJNLNGMALKI-HOCLYGCPSA-N 0 1 398.297 3.302 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593763920 954499103 /nfs/dbraw/zinc/49/91/03/954499103.db2.gz VDVSLHRPMVSCHL-QFIPXVFZSA-N 0 1 382.460 3.339 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593763920 954499114 /nfs/dbraw/zinc/49/91/14/954499114.db2.gz VDVSLHRPMVSCHL-QFIPXVFZSA-N 0 1 382.460 3.339 20 0 GGADMN O=C([O-])[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000663113779 954506174 /nfs/dbraw/zinc/50/61/74/954506174.db2.gz YXYQEEYTSALKBT-GOSISDBHSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000663113779 954506184 /nfs/dbraw/zinc/50/61/84/954506184.db2.gz YXYQEEYTSALKBT-GOSISDBHSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC=CCC1 ZINC000663136085 954524043 /nfs/dbraw/zinc/52/40/43/954524043.db2.gz ARGYLNHDBXEKLE-AUSIDOKSSA-N 0 1 382.504 3.216 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)CC(=O)[O-] ZINC000663138523 954528280 /nfs/dbraw/zinc/52/82/80/954528280.db2.gz LIDXJYMREMQDEP-LNLFQRSKSA-N 0 1 390.524 3.163 20 0 GGADMN O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000666541184 954553946 /nfs/dbraw/zinc/55/39/46/954553946.db2.gz ZPHHVHOULLPSSB-XUVXKRRUSA-N 0 1 387.524 3.231 20 0 GGADMN O=C([O-])CCCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000666546356 954555141 /nfs/dbraw/zinc/55/51/41/954555141.db2.gz HVVYQCIEKUPLOU-LEWJYISDSA-N 0 1 395.503 3.209 20 0 GGADMN O=C([O-])c1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000666549456 954557538 /nfs/dbraw/zinc/55/75/38/954557538.db2.gz VUQZPIIBEIMZRH-HXUWFJFHSA-N 0 1 395.503 3.486 20 0 GGADMN CCCN(C(=O)NCCCCC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000666558733 954558891 /nfs/dbraw/zinc/55/88/91/954558891.db2.gz VRDLRBWZDOOHKX-IBGZPJMESA-N 0 1 375.513 3.328 20 0 GGADMN CN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000666567307 954563337 /nfs/dbraw/zinc/56/33/37/954563337.db2.gz MVMQXKHPSRZGQC-FQEVSTJZSA-N 0 1 381.476 3.191 20 0 GGADMN CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001589434051 954677340 /nfs/dbraw/zinc/67/73/40/954677340.db2.gz UGRANBYAGRUQDU-ZFGGDYGUSA-N 0 1 394.515 3.398 20 0 GGADMN C[N@H+]1C[C@@H](CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)[C@H](c2ccccc2)C1 ZINC001593786469 954702757 /nfs/dbraw/zinc/70/27/57/954702757.db2.gz FPGKIUJNYHWBIM-CTNGQTDRSA-N 0 1 397.519 3.016 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC001594912513 954718435 /nfs/dbraw/zinc/71/84/35/954718435.db2.gz XSCGZVSUSNKGNZ-LSWWBPAMSA-N 0 1 381.900 3.437 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2Cl)CC1 ZINC001593787284 954718739 /nfs/dbraw/zinc/71/87/39/954718739.db2.gz ZXCOXMBTSGBZAJ-UHFFFAOYSA-N 0 1 379.888 3.065 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCOc1c(Br)cccc1Br ZINC001589441251 954722056 /nfs/dbraw/zinc/72/20/56/954722056.db2.gz LOCJTVZQIZXZSD-NSHDSACASA-N 0 1 395.091 3.385 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001589443278 954736480 /nfs/dbraw/zinc/73/64/80/954736480.db2.gz HUIKDVPSFLGZSR-INIZCTEOSA-N 0 1 380.485 3.133 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594915684 954747576 /nfs/dbraw/zinc/74/75/76/954747576.db2.gz KIUXUMOMLGOSCM-JKSUJKDBSA-N 0 1 389.521 3.492 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH+]3CCN(c4cccc(F)c4)CC3)o2)C1 ZINC001594915714 954748918 /nfs/dbraw/zinc/74/89/18/954748918.db2.gz KVTKSGQSRXJFFO-MRXNPFEDSA-N 0 1 387.455 3.042 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@H](Cn3ccnc3)c3ccccc3)o2)C1 ZINC001594915700 954749443 /nfs/dbraw/zinc/74/94/43/954749443.db2.gz KQXDAMYULXIRCD-UYAOXDASSA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)o2)C1 ZINC001594916246 954754038 /nfs/dbraw/zinc/75/40/38/954754038.db2.gz KPNFREXMAJGDTH-QGZVFWFLSA-N 0 1 380.448 3.056 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)o2)C1 ZINC001594916245 954754361 /nfs/dbraw/zinc/75/43/61/954754361.db2.gz KPNFREXMAJGDTH-KRWDZBQOSA-N 0 1 380.448 3.056 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccnc(OCC4CC4)c3)o2)C1 ZINC001594917927 954776578 /nfs/dbraw/zinc/77/65/78/954776578.db2.gz XAGVAZAANVDUKS-QGZVFWFLSA-N 0 1 385.464 3.054 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)o2)C1 ZINC001594918543 954785032 /nfs/dbraw/zinc/78/50/32/954785032.db2.gz UQSGVPWXOPJJRO-AZUAARDMSA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)o2)CC1 ZINC001594939523 954870961 /nfs/dbraw/zinc/87/09/61/954870961.db2.gz XJZNJOUVYINSMD-DLBZAZTESA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)o2)CC1 ZINC001594939798 954873421 /nfs/dbraw/zinc/87/34/21/954873421.db2.gz MEUIDULYZAONJP-PZJWPPBQSA-N 0 1 398.503 3.179 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)Cc2ccccc21 ZINC001594946272 954915586 /nfs/dbraw/zinc/91/55/86/954915586.db2.gz GFYVVYGTNKMHAQ-UYAOXDASSA-N 0 1 385.508 3.177 20 0 GGADMN CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCS(=O)(=O)CC(=O)[O-] ZINC001589509468 955042793 /nfs/dbraw/zinc/04/27/93/955042793.db2.gz RSYCJORZJVBZPN-KRWDZBQOSA-N 0 1 375.918 3.249 20 0 GGADMN CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCS(=O)(=O)CC(=O)[O-] ZINC001589509468 955042810 /nfs/dbraw/zinc/04/28/10/955042810.db2.gz RSYCJORZJVBZPN-KRWDZBQOSA-N 0 1 375.918 3.249 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)co1 ZINC001594966160 955057672 /nfs/dbraw/zinc/05/76/72/955057672.db2.gz KKNWMFSCZIGFNX-AATRIKPKSA-N 0 1 380.444 3.040 20 0 GGADMN O=C([O-])/C=C\c1cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)co1 ZINC001594969695 955095922 /nfs/dbraw/zinc/09/59/22/955095922.db2.gz KIBQWTDIHRNAFE-GIFJBRJJSA-N 0 1 380.400 3.231 20 0 GGADMN COC(=O)/C=C/c1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001593831260 955152038 /nfs/dbraw/zinc/15/20/38/955152038.db2.gz ZXGFCAFHKBYYLA-QOANIYFMSA-N 0 1 395.455 3.052 20 0 GGADMN CC(C)[C@@H](CNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000720091503 955174813 /nfs/dbraw/zinc/17/48/13/955174813.db2.gz REFDKGQKAVQVIZ-RTBURBONSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000836692328 955557676 /nfs/dbraw/zinc/55/76/76/955557676.db2.gz GCVJFLQIIMLGAM-CYBMUJFWSA-N 0 1 383.370 3.316 20 0 GGADMN C[C@@]1(CNC(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000840989468 955569265 /nfs/dbraw/zinc/56/92/65/955569265.db2.gz HFJQWGTVCAWQCS-QFIPXVFZSA-N 0 1 381.476 3.096 20 0 GGADMN COC(=O)c1c(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866583 955582427 /nfs/dbraw/zinc/58/24/27/955582427.db2.gz KMNCYVLVNQQCRA-ZDUSSCGKSA-N 0 1 376.428 3.181 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840997457 955584848 /nfs/dbraw/zinc/58/48/48/955584848.db2.gz LHJNRGYWHJZRQC-AWEZNQCLSA-N 0 1 376.888 3.197 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CCC[C@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840997457 955584854 /nfs/dbraw/zinc/58/48/54/955584854.db2.gz LHJNRGYWHJZRQC-AWEZNQCLSA-N 0 1 376.888 3.197 20 0 GGADMN CC(C)C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1)CC(=O)[O-] ZINC001603046608 972110036 /nfs/dbraw/zinc/11/00/36/972110036.db2.gz PZOVPEFWIRQKOY-INIZCTEOSA-N 0 1 381.948 3.318 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC001594538004 955596196 /nfs/dbraw/zinc/59/61/96/955596196.db2.gz NNRCQUVEDBQSTI-QZTJIDSGSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)cn1 ZINC001594539987 955627010 /nfs/dbraw/zinc/62/70/10/955627010.db2.gz YIAIAOYWOQZKMD-MSOLQXFVSA-N 0 1 399.491 3.066 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])cc(=O)oc2c1 ZINC000844242395 955654342 /nfs/dbraw/zinc/65/43/42/955654342.db2.gz UKVHSKWZIHELQZ-KPZWWZAWSA-N 0 1 388.420 3.047 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)co2)cc1 ZINC001593876009 955670666 /nfs/dbraw/zinc/67/06/66/955670666.db2.gz OLMTZTXMUXMKJJ-IBGZPJMESA-N 0 1 392.411 3.312 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)co2)cc1 ZINC001593876009 955670668 /nfs/dbraw/zinc/67/06/68/955670668.db2.gz OLMTZTXMUXMKJJ-IBGZPJMESA-N 0 1 392.411 3.312 20 0 GGADMN C[C@@](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589053917 955681458 /nfs/dbraw/zinc/68/14/58/955681458.db2.gz MIHXMOPAROXXMF-KNQAVFIVSA-N 0 1 387.524 3.125 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000846270817 955701817 /nfs/dbraw/zinc/70/18/17/955701817.db2.gz NQZJDFBHZVFJGU-IRXDYDNUSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271057 955702015 /nfs/dbraw/zinc/70/20/15/955702015.db2.gz QSYXHCCKZMISEJ-PBHICJAKSA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271057 955702027 /nfs/dbraw/zinc/70/20/27/955702027.db2.gz QSYXHCCKZMISEJ-PBHICJAKSA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000846270818 955702818 /nfs/dbraw/zinc/70/28/18/955702818.db2.gz NQZJDFBHZVFJGU-SJORKVTESA-N 0 1 376.250 3.167 20 0 GGADMN CC(C)N(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001603056707 972125235 /nfs/dbraw/zinc/12/52/35/972125235.db2.gz RTJYQIMLAIJAGD-HXUWFJFHSA-N 0 1 380.488 3.439 20 0 GGADMN COC(=O)c1cccc2c(C[N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)ccnc12 ZINC001593896595 955824754 /nfs/dbraw/zinc/82/47/54/955824754.db2.gz BXDYMHNDJXQJOD-LJQANCHMSA-N 0 1 376.412 3.205 20 0 GGADMN COC(=O)c1cccc2c(C[N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)ccnc12 ZINC001593896595 955824762 /nfs/dbraw/zinc/82/47/62/955824762.db2.gz BXDYMHNDJXQJOD-LJQANCHMSA-N 0 1 376.412 3.205 20 0 GGADMN O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852732572 955835502 /nfs/dbraw/zinc/83/55/02/955835502.db2.gz FJPLGWSKDRWDEC-DZUCGIPZSA-N 0 1 398.425 3.166 20 0 GGADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852732572 955835513 /nfs/dbraw/zinc/83/55/13/955835513.db2.gz FJPLGWSKDRWDEC-DZUCGIPZSA-N 0 1 398.425 3.166 20 0 GGADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852732572 955835526 /nfs/dbraw/zinc/83/55/26/955835526.db2.gz FJPLGWSKDRWDEC-DZUCGIPZSA-N 0 1 398.425 3.166 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001594571743 955890840 /nfs/dbraw/zinc/89/08/40/955890840.db2.gz HWWNIZVEUGSOLW-CYBMUJFWSA-N 0 1 378.270 3.088 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001594571759 955891485 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C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902324541 956704252 /nfs/dbraw/zinc/70/42/52/956704252.db2.gz FVIXLBNVBXGELE-SCRDCRAPSA-N 0 1 395.297 3.227 20 0 GGADMN COC[C@]1(C(=O)[O-])C[N@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC001593983401 956731033 /nfs/dbraw/zinc/73/10/33/956731033.db2.gz HOVMZTVIJCOIAX-NRFANRHFSA-N 0 1 387.501 3.281 20 0 GGADMN COC[C@]1(C(=O)[O-])C[N@@H+](Cc2cccc(SCc3ccccc3)c2)CCO1 ZINC001593983401 956731039 /nfs/dbraw/zinc/73/10/39/956731039.db2.gz HOVMZTVIJCOIAX-NRFANRHFSA-N 0 1 387.501 3.281 20 0 GGADMN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC000902626804 956754583 /nfs/dbraw/zinc/75/45/83/956754583.db2.gz BOGYRJNRHSFEGT-IQBZNYMQSA-N 0 1 386.423 3.426 20 0 GGADMN O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC001594692589 956759503 /nfs/dbraw/zinc/75/95/03/956759503.db2.gz UYYYTSRLXQBKPL-LBPRGKRZSA-N 0 1 384.461 3.027 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC001594692589 956759507 /nfs/dbraw/zinc/75/95/07/956759507.db2.gz UYYYTSRLXQBKPL-LBPRGKRZSA-N 0 1 384.461 3.027 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000902694905 956771587 /nfs/dbraw/zinc/77/15/87/956771587.db2.gz RUEHRBAYOKFKTF-FQEVSTJZSA-N 0 1 396.487 3.277 20 0 GGADMN CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000902700754 956774682 /nfs/dbraw/zinc/77/46/82/956774682.db2.gz GLYIBWUOROQMBX-QGZVFWFLSA-N 0 1 385.508 3.047 20 0 GGADMN COC[C@@]1(C(=O)[O-])C[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCO1 ZINC001593986477 956791300 /nfs/dbraw/zinc/79/13/00/956791300.db2.gz XNNDYZLXUGXBSS-OJGACTJDSA-N 0 1 397.471 3.081 20 0 GGADMN COC[C@@]1(C(=O)[O-])C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCO1 ZINC001593986477 956791307 /nfs/dbraw/zinc/79/13/07/956791307.db2.gz XNNDYZLXUGXBSS-OJGACTJDSA-N 0 1 397.471 3.081 20 0 GGADMN COC[C@]1(C(=O)[O-])C[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCO1 ZINC001593986475 956791526 /nfs/dbraw/zinc/79/15/26/956791526.db2.gz XNNDYZLXUGXBSS-GPVJQRHHSA-N 0 1 397.471 3.081 20 0 GGADMN COC[C@]1(C(=O)[O-])C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCO1 ZINC001593986475 956791534 /nfs/dbraw/zinc/79/15/34/956791534.db2.gz XNNDYZLXUGXBSS-GPVJQRHHSA-N 0 1 397.471 3.081 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589231899 956831036 /nfs/dbraw/zinc/83/10/36/956831036.db2.gz HXEVZJYLDODRMT-QGZVFWFLSA-N 0 1 382.464 3.202 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)s1 ZINC000903690340 956871276 /nfs/dbraw/zinc/87/12/76/956871276.db2.gz DDAWQNCXNMXSBR-UHFFFAOYSA-N 0 1 390.427 3.356 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)s1 ZINC000903690340 956871290 /nfs/dbraw/zinc/87/12/90/956871290.db2.gz DDAWQNCXNMXSBR-UHFFFAOYSA-N 0 1 390.427 3.356 20 0 GGADMN Cn1nc(C(=O)[O-])cc1CNc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000903693884 956875566 /nfs/dbraw/zinc/87/55/66/956875566.db2.gz LDJARYKWJOUZMX-UHFFFAOYSA-N 0 1 394.475 3.241 20 0 GGADMN C[C@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000903696254 956883409 /nfs/dbraw/zinc/88/34/09/956883409.db2.gz UGWAFEITYYVDMA-HNNXBMFYSA-N 0 1 378.900 3.060 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(Br)c1 ZINC000903698596 956889435 /nfs/dbraw/zinc/88/94/35/956889435.db2.gz ZTXACWAPHNDEMD-AWEZNQCLSA-N 0 1 384.270 3.455 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000903711843 956911940 /nfs/dbraw/zinc/91/19/40/956911940.db2.gz MJXOAMCHEHZZMK-SNVBAGLBSA-N 0 1 396.793 3.109 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)CC1 ZINC000904193180 956918039 /nfs/dbraw/zinc/91/80/39/956918039.db2.gz BYAVBCFRSBOBPB-NRFANRHFSA-N 0 1 398.503 3.453 20 0 GGADMN CC[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC000904195703 956923781 /nfs/dbraw/zinc/92/37/81/956923781.db2.gz PERBSNZORNCPJF-HXUWFJFHSA-N 0 1 386.492 3.445 20 0 GGADMN CC[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@H](O)c1ccc(C)cc1 ZINC000904195702 956925198 /nfs/dbraw/zinc/92/51/98/956925198.db2.gz PERBSNZORNCPJF-FQEVSTJZSA-N 0 1 386.492 3.445 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904231023 956926428 /nfs/dbraw/zinc/92/64/28/956926428.db2.gz DNGNSHCRHFCMGL-MRXNPFEDSA-N 0 1 392.496 3.134 20 0 GGADMN COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904234574 956931333 /nfs/dbraw/zinc/93/13/33/956931333.db2.gz MLMKVCZZBDONBU-LJQANCHMSA-N 0 1 386.492 3.270 20 0 GGADMN COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904234573 956931380 /nfs/dbraw/zinc/93/13/80/956931380.db2.gz MLMKVCZZBDONBU-IBGZPJMESA-N 0 1 386.492 3.270 20 0 GGADMN CCC[N@H+](CCN1CCCCC1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904238824 956932871 /nfs/dbraw/zinc/93/28/71/956932871.db2.gz FWFIGQWTXOOGFS-UHFFFAOYSA-N 0 1 377.529 3.279 20 0 GGADMN CCC[N@@H+](CCN1CCCCC1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904238824 956932874 /nfs/dbraw/zinc/93/28/74/956932874.db2.gz FWFIGQWTXOOGFS-UHFFFAOYSA-N 0 1 377.529 3.279 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[NH2+]Cc3cnccc3C(F)(F)F)o2)CC1 ZINC000904254384 956945588 /nfs/dbraw/zinc/94/55/88/956945588.db2.gz XMZHPSXQNUWAPW-UHFFFAOYSA-N 0 1 383.370 3.284 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[NH+]3CCN(c4cccc(F)c4)CC3)o2)CC1 ZINC000904254514 956945603 /nfs/dbraw/zinc/94/56/03/956945603.db2.gz KBJMJRYVBIMFKW-UHFFFAOYSA-N 0 1 387.455 3.042 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[NH2+][C@@H](Cn3ccnc3)c3ccccc3)o2)CC1 ZINC000904256727 956945915 /nfs/dbraw/zinc/94/59/15/956945915.db2.gz GRKBQXJCSJPCTP-FQEVSTJZSA-N 0 1 394.475 3.308 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cnc3c(C)cc(Br)cn23)C1 ZINC000904402672 956957855 /nfs/dbraw/zinc/95/78/55/956957855.db2.gz ZJQRWMMNPRDGMX-KRWDZBQOSA-N 0 1 380.286 3.482 20 0 GGADMN Cc1ccc2nc(-c3ccc(F)cc3)c(CNC3CC[NH+](CC(=O)[O-])CC3)n2c1 ZINC000905770662 956974086 /nfs/dbraw/zinc/97/40/86/956974086.db2.gz OPXUYPCINPZHMJ-UHFFFAOYSA-N 0 1 396.466 3.087 20 0 GGADMN Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C3CCN(CC(=O)[O-])CC3)n2c1 ZINC000905770662 956974091 /nfs/dbraw/zinc/97/40/91/956974091.db2.gz OPXUYPCINPZHMJ-UHFFFAOYSA-N 0 1 396.466 3.087 20 0 GGADMN Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000907583022 956977451 /nfs/dbraw/zinc/97/74/51/956977451.db2.gz XLTBCXRBUHZEHL-DZFGPLHGSA-N 0 1 380.488 3.190 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000908421029 956986406 /nfs/dbraw/zinc/98/64/06/956986406.db2.gz RJRYISUUPUTUIF-HKBOAZHASA-N 0 1 378.472 3.415 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000908424401 956986591 /nfs/dbraw/zinc/98/65/91/956986591.db2.gz AMDRNJGUOKUCNM-QSLUEMALSA-N 0 1 394.471 3.408 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000911322669 957060520 /nfs/dbraw/zinc/06/05/20/957060520.db2.gz DKXMKUQLAPYTFQ-LJQANCHMSA-N 0 1 382.460 3.217 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000911556606 957080595 /nfs/dbraw/zinc/08/05/95/957080595.db2.gz UJTXVRVFXRNEAG-PWRODBHTSA-N 0 1 378.472 3.415 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000911556643 957080982 /nfs/dbraw/zinc/08/09/82/957080982.db2.gz VDEFDHKPGGEFJZ-QHAWAJNXSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)s1 ZINC000911740629 957089236 /nfs/dbraw/zinc/08/92/36/957089236.db2.gz AHDYXEHHNVGYFB-KKTNHOPESA-N 0 1 388.489 3.341 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)s1 ZINC000911740633 957089403 /nfs/dbraw/zinc/08/94/03/957089403.db2.gz AHDYXEHHNVGYFB-SBJJXXPASA-N 0 1 388.489 3.341 20 0 GGADMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)cc1I ZINC000923263411 957108926 /nfs/dbraw/zinc/10/89/26/957108926.db2.gz NATQKHPTMWQKMQ-TZMCWYRMSA-N 0 1 387.261 3.451 20 0 GGADMN Cc1nc(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)sc1C(C)(C)C ZINC000923264585 957110210 /nfs/dbraw/zinc/11/02/10/957110210.db2.gz TUQJRQLNGJWSDC-KGLIPLIRSA-N 0 1 376.526 3.173 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000923470589 957119033 /nfs/dbraw/zinc/11/90/33/957119033.db2.gz MOVHFAZMLJMDJM-XOBRGWDASA-N 0 1 389.521 3.220 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1C1CC1 ZINC000923528770 957125532 /nfs/dbraw/zinc/12/55/32/957125532.db2.gz KRNFSULNLJGRJE-QKNQBKEWSA-N 0 1 388.483 3.216 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc2ccccc21 ZINC000923528332 957125642 /nfs/dbraw/zinc/12/56/42/957125642.db2.gz HXAKRFQDAMNFOK-SORVUCRQSA-N 0 1 380.488 3.448 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc2ccccc21 ZINC000923528333 957125844 /nfs/dbraw/zinc/12/58/44/957125844.db2.gz HXAKRFQDAMNFOK-UGCQDJOBSA-N 0 1 380.488 3.448 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc2ccccc2c1 ZINC000923528384 957126299 /nfs/dbraw/zinc/12/62/99/957126299.db2.gz IUWWGSQDBYQIIR-LATRNWQMSA-N 0 1 380.488 3.448 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1C1CC1 ZINC000923530301 957127822 /nfs/dbraw/zinc/12/78/22/957127822.db2.gz XYIUVMKPBFDRPQ-VQTJNVASSA-N 0 1 384.520 3.047 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001120521174 957202325 /nfs/dbraw/zinc/20/23/25/957202325.db2.gz CUBOUAVQGJIABN-JLMWRMLUSA-N 0 1 387.524 3.183 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001120521175 957202632 /nfs/dbraw/zinc/20/26/32/957202632.db2.gz CUBOUAVQGJIABN-JUXOCIIHSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@H](CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC001121892865 957223694 /nfs/dbraw/zinc/22/36/94/957223694.db2.gz RDJQSWGTTWWBDW-IPHXSNPTSA-N 0 1 393.487 3.046 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC001121892867 957223728 /nfs/dbraw/zinc/22/37/28/957223728.db2.gz RDJQSWGTTWWBDW-NQERJWCQSA-N 0 1 393.487 3.046 20 0 GGADMN CCC(CC)(CNC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC001326143315 957315518 /nfs/dbraw/zinc/31/55/18/957315518.db2.gz VUWOGWKNQXFGIG-UHFFFAOYSA-N 0 1 375.513 3.103 20 0 GGADMN CC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C(C)(C)C(=O)[O-] ZINC000061176364 957578158 /nfs/dbraw/zinc/57/81/58/957578158.db2.gz GVLXZXIKBQLGEN-UHFFFAOYSA-N 0 1 377.666 3.226 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C(C)(C)C(=O)[O-] ZINC000061176364 957578165 /nfs/dbraw/zinc/57/81/65/957578165.db2.gz GVLXZXIKBQLGEN-UHFFFAOYSA-N 0 1 377.666 3.226 20 0 GGADMN C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329111723 957688785 /nfs/dbraw/zinc/68/87/85/957688785.db2.gz BDLIVULVCBCGOR-RPCVNMKUSA-N 0 1 391.487 3.006 20 0 GGADMN COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001594029309 957744606 /nfs/dbraw/zinc/74/46/06/957744606.db2.gz WDSIVYSCTAJYSP-JSKZPHBASA-N 0 1 383.492 3.160 20 0 GGADMN C[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[N@H+](C)Cc1ccccc1 ZINC001603192344 972293813 /nfs/dbraw/zinc/29/38/13/972293813.db2.gz IIWJIKDTHKFHKU-MJGOQNOKSA-N 0 1 385.508 3.191 20 0 GGADMN C[C@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[N@@H+](C)Cc1ccccc1 ZINC001603192344 972293816 /nfs/dbraw/zinc/29/38/16/972293816.db2.gz IIWJIKDTHKFHKU-MJGOQNOKSA-N 0 1 385.508 3.191 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC001335383301 957813052 /nfs/dbraw/zinc/81/30/52/957813052.db2.gz SXDBOKHAMBHLDC-CXAGYDPISA-N 0 1 399.516 3.050 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339721584 957869653 /nfs/dbraw/zinc/86/96/53/957869653.db2.gz ABKAABNAIYODMR-CDHQVMDDSA-N 0 1 381.476 3.119 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001339811189 957880685 /nfs/dbraw/zinc/88/06/85/957880685.db2.gz GFGQKSMBXULEIM-DZFGPLHGSA-N 0 1 393.487 3.121 20 0 GGADMN O=C([O-])[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001339811192 957881218 /nfs/dbraw/zinc/88/12/18/957881218.db2.gz GFGQKSMBXULEIM-YYWHXJBOSA-N 0 1 393.487 3.121 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001574815268 957885718 /nfs/dbraw/zinc/88/57/18/957885718.db2.gz NOXPJKGMPKAOFL-KRWDZBQOSA-N 0 1 383.366 3.189 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001574815268 957885729 /nfs/dbraw/zinc/88/57/29/957885729.db2.gz NOXPJKGMPKAOFL-KRWDZBQOSA-N 0 1 383.366 3.189 20 0 GGADMN O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001339938040 957905911 /nfs/dbraw/zinc/90/59/11/957905911.db2.gz DQBWINDVANLUAO-WOJBJXKFSA-N 0 1 387.524 3.470 20 0 GGADMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)ccc1C(F)(F)F ZINC001594303540 957935556 /nfs/dbraw/zinc/93/55/56/957935556.db2.gz VZNNTQXFBKBQAQ-HUUCEWRRSA-N 0 1 381.398 3.438 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC001341227138 957949475 /nfs/dbraw/zinc/94/94/75/957949475.db2.gz YSSSDKIRLUYARH-NHCUHLMSSA-N 0 1 393.487 3.047 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001341243656 957956170 /nfs/dbraw/zinc/95/61/70/957956170.db2.gz IWDUDGKHLUHGSD-UXHICEINSA-N 0 1 387.524 3.185 20 0 GGADMN CC(C)(CNC(=O)N1CCCC[C@H]1CCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001341244413 957956754 /nfs/dbraw/zinc/95/67/54/957956754.db2.gz OZARLOXPWWRUHP-IBGZPJMESA-N 0 1 387.524 3.252 20 0 GGADMN COc1cc(C[N@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc(OC)c1 ZINC001594055981 958036195 /nfs/dbraw/zinc/03/61/95/958036195.db2.gz GESWUPYOUVRCSC-MRXNPFEDSA-N 0 1 388.464 3.230 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc(OC)c1 ZINC001594055981 958036208 /nfs/dbraw/zinc/03/62/08/958036208.db2.gz GESWUPYOUVRCSC-MRXNPFEDSA-N 0 1 388.464 3.230 20 0 GGADMN Cc1cc(N2CCC[C@H]([N@H+]3CCC[C@H](C(=O)[O-])C3)C2=O)ccc1Br ZINC001594312062 958042255 /nfs/dbraw/zinc/04/22/55/958042255.db2.gz XYTGWIYWXCIWMM-BBRMVZONSA-N 0 1 395.297 3.050 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)Cc2ccccc21 ZINC001345754387 958055557 /nfs/dbraw/zinc/05/55/57/958055557.db2.gz CBFOLKMJKUCOKO-LEWJYISDSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)Cc2ccccc21 ZINC001345754387 958055571 /nfs/dbraw/zinc/05/55/71/958055571.db2.gz CBFOLKMJKUCOKO-LEWJYISDSA-N 0 1 396.462 3.391 20 0 GGADMN CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001353155801 958151291 /nfs/dbraw/zinc/15/12/91/958151291.db2.gz MRNUDKDVGXDXCA-DUXKGJEZSA-N 0 1 393.487 3.216 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001357532682 958202297 /nfs/dbraw/zinc/20/22/97/958202297.db2.gz OWBJFZIHAULJJF-UGKGYDQZSA-N 0 1 387.524 3.328 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001521145190 958211800 /nfs/dbraw/zinc/21/18/00/958211800.db2.gz OTHSOQWUPYKWFC-JSJNYSNDSA-N 0 1 387.524 3.357 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001521240229 958232615 /nfs/dbraw/zinc/23/26/15/958232615.db2.gz CFMHAKLAWMNCRP-VQTJNVASSA-N 0 1 387.524 3.453 20 0 GGADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC001594080650 958264053 /nfs/dbraw/zinc/26/40/53/958264053.db2.gz RTHNNGZDJPDKIX-KRWDZBQOSA-N 0 1 392.496 3.100 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001594081206 958269357 /nfs/dbraw/zinc/26/93/57/958269357.db2.gz XVNDVSMIQIMBIB-IIBYNOLFSA-N 0 1 392.496 3.100 20 0 GGADMN CC[N@H+]1CCN(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C[C@H]1C ZINC000391402751 972333731 /nfs/dbraw/zinc/33/37/31/972333731.db2.gz CZZHHOKRDNHRCZ-LLVKDONJSA-N 0 1 384.274 3.014 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3cccc(C(F)(F)F)c3)o1)C2 ZINC001549338823 958283749 /nfs/dbraw/zinc/28/37/49/958283749.db2.gz MZLJNHXCZLJGDC-KSSFIOAISA-N 0 1 381.350 3.498 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594338264 958285280 /nfs/dbraw/zinc/28/52/80/958285280.db2.gz JLYUENDZRBRTMD-SFHVURJKSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594338264 958285294 /nfs/dbraw/zinc/28/52/94/958285294.db2.gz JLYUENDZRBRTMD-SFHVURJKSA-N 0 1 398.507 3.313 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1C(C)(C)C ZINC001594093060 958370011 /nfs/dbraw/zinc/37/00/11/958370011.db2.gz SBZMNEJCTSJDTR-IRXDYDNUSA-N 0 1 385.508 3.417 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1C(C)(C)C ZINC001594093061 958370245 /nfs/dbraw/zinc/37/02/45/958370245.db2.gz SBZMNEJCTSJDTR-SJORKVTESA-N 0 1 385.508 3.417 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@@H+](C)CCCC(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC001594353325 958381408 /nfs/dbraw/zinc/38/14/08/958381408.db2.gz NQQBAQKQINOZCO-GOSISDBHSA-N 0 1 383.448 3.062 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)s1 ZINC001594360322 958442913 /nfs/dbraw/zinc/44/29/13/958442913.db2.gz UAJBKGXNJGYONX-UZLBHIALSA-N 0 1 376.522 3.148 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)C2=O)c1 ZINC001594364457 958476710 /nfs/dbraw/zinc/47/67/10/958476710.db2.gz FKNFPPLDTGFQRX-NLWGTHIKSA-N 0 1 396.462 3.430 20 0 GGADMN COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCC[C@@H](C(=O)[O-])C3)o1)CCO2 ZINC001594117802 958567806 /nfs/dbraw/zinc/56/78/06/958567806.db2.gz KLTMUCXYPQXDMM-KDOFPFPSSA-N 0 1 386.448 3.203 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(C[NH2+]C2(C(=O)[O-])CCOCC2)on1 ZINC001594118424 958580181 /nfs/dbraw/zinc/58/01/81/958580181.db2.gz MXSSUNUFAQTEGP-UHFFFAOYSA-N 0 1 382.416 3.227 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)CCCC(=O)[O-] ZINC001573362238 958596837 /nfs/dbraw/zinc/59/68/37/958596837.db2.gz BNGQMYZWLBNCRY-SNVBAGLBSA-N 0 1 383.420 3.212 20 0 GGADMN CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588533591 958909358 /nfs/dbraw/zinc/90/93/58/958909358.db2.gz GBRFLQMMMQPKGV-LJQANCHMSA-N 0 1 380.444 3.292 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001573489958 959009882 /nfs/dbraw/zinc/00/98/82/959009882.db2.gz SLISFZXETUPBDL-MJGOQNOKSA-N 0 1 386.517 3.321 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001573489958 959009903 /nfs/dbraw/zinc/00/99/03/959009903.db2.gz SLISFZXETUPBDL-MJGOQNOKSA-N 0 1 386.517 3.321 20 0 GGADMN Cc1ccccc1N1CC[NH+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001594418142 959031616 /nfs/dbraw/zinc/03/16/16/959031616.db2.gz NODJTSJPBYWMRM-GOSISDBHSA-N 0 1 383.492 3.211 20 0 GGADMN CC(C)C[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001573509404 959081001 /nfs/dbraw/zinc/08/10/01/959081001.db2.gz GNAFYVLFZORIPR-QGZVFWFLSA-N 0 1 399.535 3.271 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001588561226 959100293 /nfs/dbraw/zinc/10/02/93/959100293.db2.gz SHMTWYSLNUMDOJ-STQMWFEESA-N 0 1 391.468 3.463 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001588561226 959100308 /nfs/dbraw/zinc/10/03/08/959100308.db2.gz SHMTWYSLNUMDOJ-STQMWFEESA-N 0 1 391.468 3.463 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC001594215519 959324795 /nfs/dbraw/zinc/32/47/95/959324795.db2.gz DXUOWRUZIWCKQX-BXUZGUMPSA-N 0 1 384.270 3.438 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594221382 959379806 /nfs/dbraw/zinc/37/98/06/959379806.db2.gz YVBDHVAFLVBHDT-UYAOXDASSA-N 0 1 397.519 3.287 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000178902383 959431792 /nfs/dbraw/zinc/43/17/92/959431792.db2.gz QAYOUYOHLJFKNU-FQEVSTJZSA-N 0 1 396.487 3.021 20 0 GGADMN C[C@]12CN(C(=O)NCc3cccc(C(=O)[O-])c3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001594231296 959473345 /nfs/dbraw/zinc/47/33/45/959473345.db2.gz MSFZBNUXQYFUGD-OFNKIYASSA-N 0 1 393.487 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001594245743 959565762 /nfs/dbraw/zinc/56/57/62/959565762.db2.gz DOAFPFOWOOYRBN-GASCZTMLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC001594245743 959565777 /nfs/dbraw/zinc/56/57/77/959565777.db2.gz DOAFPFOWOOYRBN-GASCZTMLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573641272 959612312 /nfs/dbraw/zinc/61/23/12/959612312.db2.gz BLURCTSKECNURZ-BYCMXARLSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573641272 959612317 /nfs/dbraw/zinc/61/23/17/959612317.db2.gz BLURCTSKECNURZ-BYCMXARLSA-N 0 1 376.254 3.100 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+](CC(=O)[O-])CC1CC1 ZINC001594477682 959615217 /nfs/dbraw/zinc/61/52/17/959615217.db2.gz NOKFKPBGUPFZMN-UHFFFAOYSA-N 0 1 378.270 3.240 20 0 GGADMN Cc1cc(Br)c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001594269939 959791214 /nfs/dbraw/zinc/79/12/14/959791214.db2.gz FAOSCIGRZBJKES-VIFPVBQESA-N 0 1 377.076 3.427 20 0 GGADMN Cc1cc(Br)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001594269939 959791226 /nfs/dbraw/zinc/79/12/26/959791226.db2.gz FAOSCIGRZBJKES-VIFPVBQESA-N 0 1 377.076 3.427 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001573701322 959834318 /nfs/dbraw/zinc/83/43/18/959834318.db2.gz NIQAOGQYRXHJLX-CRAIPNDOSA-N 0 1 382.464 3.297 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001573701323 959834333 /nfs/dbraw/zinc/83/43/33/959834333.db2.gz NIQAOGQYRXHJLX-MAUKXSAKSA-N 0 1 382.464 3.297 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001573701324 959834755 /nfs/dbraw/zinc/83/47/55/959834755.db2.gz NIQAOGQYRXHJLX-QAPCUYQASA-N 0 1 382.464 3.297 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Br ZINC001604074830 972466261 /nfs/dbraw/zinc/46/62/61/972466261.db2.gz ICZLYVPBKCFLMC-UHFFFAOYSA-N 0 1 391.265 3.390 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC001588655727 960409800 /nfs/dbraw/zinc/40/98/00/960409800.db2.gz KNTQIPUMIGFTRO-UHFFFAOYSA-N 0 1 398.503 3.315 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC001588655727 960409810 /nfs/dbraw/zinc/40/98/10/960409810.db2.gz KNTQIPUMIGFTRO-UHFFFAOYSA-N 0 1 398.503 3.315 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001588655846 960410923 /nfs/dbraw/zinc/41/09/23/960410923.db2.gz QNHHSYTZVKJHAA-UHFFFAOYSA-N 0 1 383.492 3.216 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001588655846 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CC(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001517331747 962765437 /nfs/dbraw/zinc/76/54/37/962765437.db2.gz FTBCQHVNMOQDKZ-HSZRJFAPSA-N 0 1 394.471 3.047 20 0 GGADMN CC(C)(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001517331876 962765556 /nfs/dbraw/zinc/76/55/56/962765556.db2.gz GGSATHCQENFWPR-HSZRJFAPSA-N 0 1 395.503 3.228 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc(C(F)(F)F)c1 ZINC001574182177 962817019 /nfs/dbraw/zinc/81/70/19/962817019.db2.gz RAEIDSYJSSPVMT-KGLIPLIRSA-N 0 1 397.397 3.138 20 0 GGADMN O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000280992197 962863522 /nfs/dbraw/zinc/86/35/22/962863522.db2.gz KYTZXXHYSZBLFN-MBSDFSHPSA-N 0 1 394.471 3.391 20 0 GGADMN Cc1ccc(C[C@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001526703875 962875049 /nfs/dbraw/zinc/87/50/49/962875049.db2.gz COAHZUOPDNGTDQ-YADARESESA-N 0 1 394.515 3.409 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2ccc(F)c3occc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001526712546 962879576 /nfs/dbraw/zinc/87/95/76/962879576.db2.gz XTDPIIBMNNLFAG-QFIPXVFZSA-N 0 1 396.418 3.421 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549035508 962925174 /nfs/dbraw/zinc/92/51/74/962925174.db2.gz FMKZENRPPYWDCE-GDIGMMSISA-N 0 1 380.444 3.016 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549035508 962925184 /nfs/dbraw/zinc/92/51/84/962925184.db2.gz FMKZENRPPYWDCE-GDIGMMSISA-N 0 1 380.444 3.016 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C[C@@H]1c1ccccc1 ZINC001549035466 962926412 /nfs/dbraw/zinc/92/64/12/962926412.db2.gz BSESHYHMOMASHT-HLIPFELVSA-N 0 1 382.435 3.121 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC001549035476 962926728 /nfs/dbraw/zinc/92/67/28/962926728.db2.gz CCLDSUQLRMSKQG-AQNXPRMDSA-N 0 1 382.435 3.121 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC001549035477 962926785 /nfs/dbraw/zinc/92/67/85/962926785.db2.gz CCLDSUQLRMSKQG-VAMGGRTRSA-N 0 1 382.435 3.121 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@H+]3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)C2=O)c1 ZINC001549035729 962928446 /nfs/dbraw/zinc/92/84/46/962928446.db2.gz FKNFPPLDTGFQRX-GGPKGHCWSA-N 0 1 396.462 3.430 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549036026 962928740 /nfs/dbraw/zinc/92/87/40/962928740.db2.gz JDDPFXPOSWHUNR-CGTJXYLNSA-N 0 1 382.460 3.131 20 0 GGADMN CC1CCC(N(C(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)CC1 ZINC001549038929 962942177 /nfs/dbraw/zinc/94/21/77/962942177.db2.gz ZJYOMDZAZFDEEY-LNHIOMRXSA-N 0 1 384.520 3.356 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC001549040492 962948439 /nfs/dbraw/zinc/94/84/39/962948439.db2.gz SBHLAQRZAZXQPH-QRVBRYPASA-N 0 1 386.879 3.270 20 0 GGADMN Cc1sc2[nH]c(C[N@@H+]3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)nc(=O)c2c1C ZINC001553732040 963051654 /nfs/dbraw/zinc/05/16/54/963051654.db2.gz HXYFXRLTTZXJHZ-HUUCEWRRSA-N 0 1 383.473 3.314 20 0 GGADMN Cc1sc2[nH]c(C[N@H+]3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)nc(=O)c2c1C ZINC001553732040 963051667 /nfs/dbraw/zinc/05/16/67/963051667.db2.gz HXYFXRLTTZXJHZ-HUUCEWRRSA-N 0 1 383.473 3.314 20 0 GGADMN CC(C)(CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000312679764 963584373 /nfs/dbraw/zinc/58/43/73/963584373.db2.gz MYUXBEOZGRCCGP-GOSISDBHSA-N 0 1 375.513 3.089 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000313114289 963619111 /nfs/dbraw/zinc/61/91/11/963619111.db2.gz ZNXAPAJBYYCUIA-SJLPKXTDSA-N 0 1 375.513 3.087 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(I)c1 ZINC000314697596 963793692 /nfs/dbraw/zinc/79/36/92/963793692.db2.gz BTKSSDNRAKUWFW-MRXNPFEDSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(I)c1 ZINC000314697596 963793696 /nfs/dbraw/zinc/79/36/96/963793696.db2.gz BTKSSDNRAKUWFW-MRXNPFEDSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])CC1CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000316413100 964010706 /nfs/dbraw/zinc/01/07/06/964010706.db2.gz RAZAOSNGXHPFOW-UHFFFAOYSA-N 0 1 386.271 3.247 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000263225408 967863879 /nfs/dbraw/zinc/86/38/79/967863879.db2.gz ZXURUGSEUPJYTP-FUHWJXTLSA-N 0 1 376.472 3.141 20 0 GGADMN CCOc1ccc(-c2cn(C3C[NH+](Cc4cccc(C(=O)[O-])c4)C3)nn2)cc1 ZINC000263408326 967888684 /nfs/dbraw/zinc/88/86/84/967888684.db2.gz KLOSNNOKICIBRC-UHFFFAOYSA-N 0 1 378.432 3.099 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000397959676 968262406 /nfs/dbraw/zinc/26/24/06/968262406.db2.gz DFIMMTYEPILLAX-AEFFLSMTSA-N 0 1 375.513 3.087 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C)C(=O)[O-] ZINC000404430165 968326067 /nfs/dbraw/zinc/32/60/67/968326067.db2.gz ODOVDJMXUIGAAJ-FAJBIJEISA-N 0 1 375.513 3.036 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000424261826 968354257 /nfs/dbraw/zinc/35/42/57/968354257.db2.gz PMHARSZTLLBZAM-QFBILLFUSA-N 0 1 387.505 3.068 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000424261828 968354768 /nfs/dbraw/zinc/35/47/68/968354768.db2.gz PMHARSZTLLBZAM-VQIMIIECSA-N 0 1 387.505 3.068 20 0 GGADMN C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC000424272685 968355479 /nfs/dbraw/zinc/35/54/79/968355479.db2.gz UPXPJXCTABTKJN-VGSWGCGISA-N 0 1 396.487 3.067 20 0 GGADMN C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC000424272685 968355488 /nfs/dbraw/zinc/35/54/88/968355488.db2.gz UPXPJXCTABTKJN-VGSWGCGISA-N 0 1 396.487 3.067 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000424428331 968366449 /nfs/dbraw/zinc/36/64/49/968366449.db2.gz XDIOXYDXEXSMEZ-UGKGYDQZSA-N 0 1 387.524 3.041 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000424428328 968366507 /nfs/dbraw/zinc/36/65/07/968366507.db2.gz XDIOXYDXEXSMEZ-DENIHFKCSA-N 0 1 387.524 3.041 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)CCCC(=O)[O-])cs2)c1 ZINC000430661645 968371604 /nfs/dbraw/zinc/37/16/04/968371604.db2.gz QAZGPUMPFPXYFN-UHFFFAOYSA-N 0 1 375.494 3.238 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+](C)CCCC(=O)[O-])cs2)c1 ZINC000430661645 968371609 /nfs/dbraw/zinc/37/16/09/968371609.db2.gz QAZGPUMPFPXYFN-UHFFFAOYSA-N 0 1 375.494 3.238 20 0 GGADMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000455638256 968379187 /nfs/dbraw/zinc/37/91/87/968379187.db2.gz GSJPULSCGZEEDM-UHFFFAOYSA-N 0 1 384.480 3.265 20 0 GGADMN CC(C)(C)CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150416 968379242 /nfs/dbraw/zinc/37/92/42/968379242.db2.gz ZQNRNXSPHZZTPF-WMZOPIPTSA-N 0 1 378.488 3.433 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000565341368 968424188 /nfs/dbraw/zinc/42/41/88/968424188.db2.gz XRSFPZGZAFSWLM-GOSISDBHSA-N 0 1 380.488 3.469 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000568626067 968438770 /nfs/dbraw/zinc/43/87/70/968438770.db2.gz NXQJSYORYGGPNO-HNBVOPMISA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000571981409 968447331 /nfs/dbraw/zinc/44/73/31/968447331.db2.gz YXCCGJBIULIZFU-PXNSSMCTSA-N 0 1 387.524 3.457 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000575995292 968458801 /nfs/dbraw/zinc/45/88/01/968458801.db2.gz KCFIQARAIMPFEY-KRWDZBQOSA-N 0 1 384.354 3.284 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000576584001 968461758 /nfs/dbraw/zinc/46/17/58/968461758.db2.gz KOVGDOYUBRXFBR-BBRMVZONSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000576584001 968461763 /nfs/dbraw/zinc/46/17/63/968461763.db2.gz KOVGDOYUBRXFBR-BBRMVZONSA-N 0 1 387.505 3.175 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)C2(CC(=O)[O-])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583753013 968481660 /nfs/dbraw/zinc/48/16/60/968481660.db2.gz KNZSPCDHNHWSME-DYVFJYSZSA-N 0 1 382.863 3.233 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000629498081 968522725 /nfs/dbraw/zinc/52/27/25/968522725.db2.gz JXSJIBQGNQOFTF-APWZRJJASA-N 0 1 378.472 3.493 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC[C@@H]1C(=O)[O-] ZINC000629500674 968523223 /nfs/dbraw/zinc/52/32/23/968523223.db2.gz JQUBBJPBEXPBDE-DYVFJYSZSA-N 0 1 390.867 3.259 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000629498089 968523715 /nfs/dbraw/zinc/52/37/15/968523715.db2.gz JXSJIBQGNQOFTF-LPHOPBHVSA-N 0 1 378.472 3.493 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC[C@@H]1C(=O)[O-] ZINC000629500675 968524696 /nfs/dbraw/zinc/52/46/96/968524696.db2.gz JQUBBJPBEXPBDE-GUYCJALGSA-N 0 1 390.867 3.259 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000635301564 968542454 /nfs/dbraw/zinc/54/24/54/968542454.db2.gz GQLSUBMZYDOUQK-UHFFFAOYSA-N 0 1 379.460 3.092 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000635301564 968542461 /nfs/dbraw/zinc/54/24/61/968542461.db2.gz GQLSUBMZYDOUQK-UHFFFAOYSA-N 0 1 379.460 3.092 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000635520312 968548141 /nfs/dbraw/zinc/54/81/41/968548141.db2.gz ZMQMYTAEXVASAW-WOJBJXKFSA-N 0 1 389.540 3.477 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC000635530192 968550248 /nfs/dbraw/zinc/55/02/48/968550248.db2.gz SFCVMYWUNPOCHB-YZGWKJHDSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000643434174 968555098 /nfs/dbraw/zinc/55/50/98/968555098.db2.gz MRLMLQQLJWNUIY-FGTMMUONSA-N 0 1 388.508 3.123 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000643434179 968555279 /nfs/dbraw/zinc/55/52/79/968555279.db2.gz MRLMLQQLJWNUIY-SQNIBIBYSA-N 0 1 388.508 3.123 20 0 GGADMN CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000646158092 968566893 /nfs/dbraw/zinc/56/68/93/968566893.db2.gz AJWDEJYIIFMKIM-LJQANCHMSA-N 0 1 387.524 3.185 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000652470605 968633731 /nfs/dbraw/zinc/63/37/31/968633731.db2.gz BXMIOAYQFLCLTO-QAPCUYQASA-N 0 1 395.377 3.129 20 0 GGADMN CCC(CC)(C(=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653286802 968639568 /nfs/dbraw/zinc/63/95/68/968639568.db2.gz FJPOTGUSCRZQOS-CZUORRHYSA-N 0 1 384.879 3.479 20 0 GGADMN 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/nfs/dbraw/zinc/75/34/44/969753444.db2.gz CYICTBIGQKOTEG-CZAAIQMYSA-N 0 1 393.487 3.216 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000320752891 970710522 /nfs/dbraw/zinc/71/05/22/970710522.db2.gz DQUTYZAQAMCBOV-SNVBAGLBSA-N 0 1 384.230 3.169 20 0 GGADMN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1ccccc1C(=O)[O-] ZINC001603287443 972532742 /nfs/dbraw/zinc/53/27/42/972532742.db2.gz WOKWGGQPHOLELW-HNNXBMFYSA-N 0 1 384.432 3.413 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001603292580 972556099 /nfs/dbraw/zinc/55/60/99/972556099.db2.gz GUMRTCVXOGYBNK-REWPJTCUSA-N 0 1 378.472 3.100 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001603292580 972556109 /nfs/dbraw/zinc/55/61/09/972556109.db2.gz GUMRTCVXOGYBNK-REWPJTCUSA-N 0 1 378.472 3.100 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001603292577 972556516 /nfs/dbraw/zinc/55/65/16/972556516.db2.gz GUMRTCVXOGYBNK-OFNKIYASSA-N 0 1 378.472 3.100 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001603292577 972556524 /nfs/dbraw/zinc/55/65/24/972556524.db2.gz GUMRTCVXOGYBNK-OFNKIYASSA-N 0 1 378.472 3.100 20 0 GGADMN O=C([O-])[C@H]1C[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001605837408 972570750 /nfs/dbraw/zinc/57/07/50/972570750.db2.gz HQXVEDLBQPFKIF-VAMGGRTRSA-N 0 1 384.451 3.006 20 0 GGADMN C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)CC1(O)CCC(C(=O)[O-])CC1 ZINC001604194691 972626431 /nfs/dbraw/zinc/62/64/31/972626431.db2.gz CEORTILJWBACSU-UHFFFAOYSA-N 0 1 385.386 3.019 20 0 GGADMN C[N@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)CC1(O)CCC(C(=O)[O-])CC1 ZINC001604194691 972626439 /nfs/dbraw/zinc/62/64/39/972626439.db2.gz CEORTILJWBACSU-UHFFFAOYSA-N 0 1 385.386 3.019 20 0 GGADMN C[N@@H+](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)CC1(O)CCC(C(=O)[O-])CC1 ZINC001604194691 972626443 /nfs/dbraw/zinc/62/64/43/972626443.db2.gz CEORTILJWBACSU-UHFFFAOYSA-N 0 1 385.386 3.019 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000394033472 972667142 /nfs/dbraw/zinc/66/71/42/972667142.db2.gz ROVLWNXSOWTALT-ZDUSSCGKSA-N 0 1 392.091 3.293 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000394033472 972667147 /nfs/dbraw/zinc/66/71/47/972667147.db2.gz ROVLWNXSOWTALT-ZDUSSCGKSA-N 0 1 392.091 3.293 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])c2)C1 ZINC001604209700 972682308 /nfs/dbraw/zinc/68/23/08/972682308.db2.gz GKPZYNLIFSWLHR-CTNGQTDRSA-N 0 1 378.472 3.320 20 0 GGADMN O=C([O-])[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CC1 ZINC001605900644 972725895 /nfs/dbraw/zinc/72/58/95/972725895.db2.gz FEQTYIOGUPGDQA-PWRODBHTSA-N 0 1 396.462 3.021 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001603340000 972730446 /nfs/dbraw/zinc/73/04/46/972730446.db2.gz QUHSREVGDSVYMJ-NJNPRVFISA-N 0 1 388.508 3.434 20 0 GGADMN C[C@@]1(CNC(=O)Nc2ccccc2CC(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001603341403 972740215 /nfs/dbraw/zinc/74/02/15/972740215.db2.gz JMCRPOWUSODELM-QFIPXVFZSA-N 0 1 381.476 3.347 20 0 GGADMN O=C([O-])[C@@H](Cc1ccncc1)[NH2+]Cc1oc2ccccc2c1Br ZINC001605904561 972753730 /nfs/dbraw/zinc/75/37/30/972753730.db2.gz ZQDBYDFVMXXJHD-CYBMUJFWSA-N 0 1 375.222 3.376 20 0 GGADMN C[C@@]1(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC001603347381 972754546 /nfs/dbraw/zinc/75/45/46/972754546.db2.gz FCAHBFYHXVKPMB-AUSIDOKSSA-N 0 1 397.519 3.335 20 0 GGADMN C[C@@]1(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC001603347381 972754555 /nfs/dbraw/zinc/75/45/55/972754555.db2.gz FCAHBFYHXVKPMB-AUSIDOKSSA-N 0 1 397.519 3.335 20 0 GGADMN C[C@]1(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC001603347384 972755395 /nfs/dbraw/zinc/75/53/95/972755395.db2.gz FCAHBFYHXVKPMB-XXBNENTESA-N 0 1 397.519 3.335 20 0 GGADMN C[C@]1(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC001603347384 972755405 /nfs/dbraw/zinc/75/54/05/972755405.db2.gz FCAHBFYHXVKPMB-XXBNENTESA-N 0 1 397.519 3.335 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603353702 972780931 /nfs/dbraw/zinc/78/09/31/972780931.db2.gz BSALPLDXBVESKI-ARFHVFGLSA-N 0 1 382.464 3.295 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c(C)o1 ZINC001605166100 972867263 /nfs/dbraw/zinc/86/72/63/972867263.db2.gz WCVYPDVZZZMPGB-INIZCTEOSA-N 0 1 380.485 3.430 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc3nc(Cl)ccc3s1)C[C@@H]2C(=O)[O-] ZINC001604290919 972895897 /nfs/dbraw/zinc/89/58/97/972895897.db2.gz FUVOPGXAEAQSGL-UNYNQTTQSA-N 0 1 394.880 3.036 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](CCc1cc(Cl)cc(Cl)c1)C[C@@H]2C(=O)[O-] ZINC001604291436 972901265 /nfs/dbraw/zinc/90/12/65/972901265.db2.gz HDSNXROLKSIJSE-HBSPSFQMSA-N 0 1 386.275 3.122 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccn2)CC[N@H+]1Cc1ccccc1 ZINC001603375040 972918384 /nfs/dbraw/zinc/91/83/84/972918384.db2.gz KFRYENKYLKFAHZ-CRAIPNDOSA-N 0 1 382.464 3.297 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C[N@@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)n2)cc1C ZINC001605231265 972980466 /nfs/dbraw/zinc/98/04/66/972980466.db2.gz DNFIYBVBLCMIEW-WBMJQRKESA-N 0 1 387.505 3.408 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C[N@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)n2)cc1C ZINC001605231265 972980478 /nfs/dbraw/zinc/98/04/78/972980478.db2.gz DNFIYBVBLCMIEW-WBMJQRKESA-N 0 1 387.505 3.408 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C[N@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)n2)cc1C ZINC001605231262 972980819 /nfs/dbraw/zinc/98/08/19/972980819.db2.gz DNFIYBVBLCMIEW-BLLLJJGKSA-N 0 1 387.505 3.408 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C[N@@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)n2)cc1C ZINC001605231262 972980823 /nfs/dbraw/zinc/98/08/23/972980823.db2.gz DNFIYBVBLCMIEW-BLLLJJGKSA-N 0 1 387.505 3.408 20 0 GGADMN Cc1ccc(-c2csc(C[NH+]3CCC(N4C[C@H](C(=O)[O-])CC4=O)CC3)n2)cc1 ZINC001605232294 972984570 /nfs/dbraw/zinc/98/45/70/972984570.db2.gz ZFPMDKFCBJZWHM-MRXNPFEDSA-N 0 1 399.516 3.016 20 0 GGADMN O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc(C2CCCC2)cc1 ZINC001605974338 972991601 /nfs/dbraw/zinc/99/16/01/972991601.db2.gz MIBBZPAFBGABDD-IAGOWNOFSA-N 0 1 398.425 3.440 20 0 GGADMN O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(C2CCCC2)cc1 ZINC001605974338 972991616 /nfs/dbraw/zinc/99/16/16/972991616.db2.gz MIBBZPAFBGABDD-IAGOWNOFSA-N 0 1 398.425 3.440 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c2ccccc21 ZINC001605984351 973028655 /nfs/dbraw/zinc/02/86/55/973028655.db2.gz UEQIHLQIFWXSDZ-WBVHZDCISA-N 0 1 386.814 3.463 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001605991696 973055319 /nfs/dbraw/zinc/05/53/19/973055319.db2.gz QAYHKDKXSQWEOA-UHFFFAOYSA-N 0 1 399.535 3.328 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3coc(/C=C\C(=O)[O-])c3)C2)s1 ZINC001605273152 973056560 /nfs/dbraw/zinc/05/65/60/973056560.db2.gz KCXMAHCERVHXMR-ZDTYVGOBSA-N 0 1 388.489 3.341 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)s1 ZINC001605273149 973056678 /nfs/dbraw/zinc/05/66/78/973056678.db2.gz KCXMAHCERVHXMR-CSPWOOARSA-N 0 1 388.489 3.341 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](CO)c3ccc(Cl)cc3)o2)C1 ZINC001605997297 973065897 /nfs/dbraw/zinc/06/58/97/973065897.db2.gz BUMXMQUMBRJGPO-PBHICJAKSA-N 0 1 378.856 3.057 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4c3OCCCO4)o2)C1 ZINC001605997503 973069076 /nfs/dbraw/zinc/06/90/76/973069076.db2.gz DZOLUIZJXVBWNN-INIZCTEOSA-N 0 1 386.448 3.032 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(CNC[C@@H]3CCC[N@H+]3C3CCCCC3)o2)C1 ZINC001605998212 973075316 /nfs/dbraw/zinc/07/53/16/973075316.db2.gz JVMLOUSAALUMQO-MJGOQNOKSA-N 0 1 389.540 3.467 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)[C@@H]1C(=O)[O-] ZINC001603408707 973079331 /nfs/dbraw/zinc/07/93/31/973079331.db2.gz AJWKPMADJYWEPT-IERDGZPVSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001603409252 973082232 /nfs/dbraw/zinc/08/22/32/973082232.db2.gz HXNKCDFGXFMYFX-IRXDYDNUSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001603409252 973082244 /nfs/dbraw/zinc/08/22/44/973082244.db2.gz HXNKCDFGXFMYFX-IRXDYDNUSA-N 0 1 377.529 3.181 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(C(F)(F)F)n3)o2)C1 ZINC001605999422 973086049 /nfs/dbraw/zinc/08/60/49/973086049.db2.gz SCACAALYOXYXSH-GFCCVEGCSA-N 0 1 383.370 3.284 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)o2)C1 ZINC001605999532 973086873 /nfs/dbraw/zinc/08/68/73/973086873.db2.gz VCTXPEHXSRPYAV-LMMKCTJWSA-N 0 1 376.497 3.362 20 0 GGADMN Cc1ccc(N2CC[NH+](Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CC2)cc1 ZINC001605288580 973095891 /nfs/dbraw/zinc/09/58/91/973095891.db2.gz ZBXAHROWZSDSBM-SFHVURJKSA-N 0 1 383.492 3.211 20 0 GGADMN Cc1ccc(NCCNC(=O)Nc2cc(C(=O)[O-])ccc2Br)[nH+]c1 ZINC001605296339 973107543 /nfs/dbraw/zinc/10/75/43/973107543.db2.gz FHUGMRMWAVUETI-UHFFFAOYSA-N 0 1 393.241 3.084 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C[C@H]3c3ccccc3)o2)CC1 ZINC001606023056 973116417 /nfs/dbraw/zinc/11/64/17/973116417.db2.gz OAXRKTBHEXIIEU-QUCCMNQESA-N 0 1 384.476 3.279 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@@H]1C(=O)[O-] ZINC001603427186 973162691 /nfs/dbraw/zinc/16/26/91/973162691.db2.gz RBRDFPADVBQWHT-YJBOKZPZSA-N 0 1 399.516 3.355 20 0 GGADMN C[C@@H]1CC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C[C@@H]1C(=O)[O-] ZINC001603430020 973171265 /nfs/dbraw/zinc/17/12/65/973171265.db2.gz JPQHXFZZGGGMQG-XAGWURHQSA-N 0 1 390.705 3.353 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C[C@H]1C(=O)[O-] ZINC001603430283 973175805 /nfs/dbraw/zinc/17/58/05/973175805.db2.gz PGMRROHAAFAEBD-IUODEOHRSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C[C@H]1C(=O)[O-] ZINC001603430283 973175811 /nfs/dbraw/zinc/17/58/11/973175811.db2.gz PGMRROHAAFAEBD-IUODEOHRSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@H](CC(=O)[O-])C4)nc(N)c32)C1 ZINC001603433320 973191595 /nfs/dbraw/zinc/19/15/95/973191595.db2.gz DIJLQQWQEVMVKQ-QWHCGFSZSA-N 0 1 388.537 3.128 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2C(=O)[O-])C1 ZINC001603434824 973201048 /nfs/dbraw/zinc/20/10/48/973201048.db2.gz UKTXGYPDYCCOSM-LLVKDONJSA-N 0 1 382.445 3.404 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001606086563 973248346 /nfs/dbraw/zinc/24/83/46/973248346.db2.gz NTKKUMCLJQTUCM-IBGZPJMESA-N 0 1 379.932 3.181 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cs1 ZINC001605356397 973272468 /nfs/dbraw/zinc/27/24/68/973272468.db2.gz VXCXMISNBCUGSD-UKRRQHHQSA-N 0 1 387.505 3.175 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC001606210712 973460315 /nfs/dbraw/zinc/46/03/15/973460315.db2.gz WUAPAGUGKNBMHE-FQEVSTJZSA-N 0 1 395.503 3.390 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC001606210713 973460538 /nfs/dbraw/zinc/46/05/38/973460538.db2.gz WUAPAGUGKNBMHE-HXUWFJFHSA-N 0 1 395.503 3.390 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC001603498749 973462745 /nfs/dbraw/zinc/46/27/45/973462745.db2.gz XPJRGENTHVEVMV-RDJZCZTQSA-N 0 1 380.485 3.099 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001605429549 973471104 /nfs/dbraw/zinc/47/11/04/973471104.db2.gz WABZCPMEPZHFNN-TZMCWYRMSA-N 0 1 392.297 3.486 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001603501257 973471399 /nfs/dbraw/zinc/47/13/99/973471399.db2.gz YJFVYDVUEQEBCH-HOCLYGCPSA-N 0 1 380.485 3.133 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)CC1CC1 ZINC001606227177 973481946 /nfs/dbraw/zinc/48/19/46/973481946.db2.gz DNMIHULQFPSRHN-UHFFFAOYSA-N 0 1 385.489 3.109 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)CC1CC1 ZINC001606227177 973481954 /nfs/dbraw/zinc/48/19/54/973481954.db2.gz DNMIHULQFPSRHN-UHFFFAOYSA-N 0 1 385.489 3.109 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC001604542135 973532197 /nfs/dbraw/zinc/53/21/97/973532197.db2.gz PLFRFMNPLFZCID-OAQYLSRUSA-N 0 1 391.414 3.467 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)C1 ZINC001604542553 973537444 /nfs/dbraw/zinc/53/74/44/973537444.db2.gz XMQGHSRWXOHOIC-JOCHJYFZSA-N 0 1 397.450 3.372 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn32)C1 ZINC001604542559 973537958 /nfs/dbraw/zinc/53/79/58/973537958.db2.gz XMQGHSRWXOHOIC-QFIPXVFZSA-N 0 1 397.450 3.372 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc4ccnc(Cl)c4s3)C2)cn1 ZINC001605487929 973611984 /nfs/dbraw/zinc/61/19/84/973611984.db2.gz BADONGFLJWCGOI-OLZOCXBDSA-N 0 1 390.896 3.374 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)cn1 ZINC001605489623 973633497 /nfs/dbraw/zinc/63/34/97/973633497.db2.gz UHBYTCQIPXWPGT-HOTGVXAUSA-N 0 1 381.398 3.215 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001606317825 973731217 /nfs/dbraw/zinc/73/12/17/973731217.db2.gz AUNHWPYJDXWHIW-QHCPKHFHSA-N 0 1 393.487 3.444 20 0 GGADMN Cn1ncc(C(=O)[O-])c1CN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001605550506 973766371 /nfs/dbraw/zinc/76/63/71/973766371.db2.gz QVKAQAADGZNEHS-UHFFFAOYSA-N 0 1 382.508 3.139 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405187300 973773877 /nfs/dbraw/zinc/77/38/77/973773877.db2.gz MFAPUAYYVXIPQX-OTWHNJEPSA-N 0 1 375.513 3.086 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001604771978 973989103 /nfs/dbraw/zinc/98/91/03/973989103.db2.gz AKAWTVMGUKDCII-IERDGZPVSA-N 0 1 392.496 3.243 20 0 GGADMN CCC(CC)(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[O-] ZINC000424410918 974030884 /nfs/dbraw/zinc/03/08/84/974030884.db2.gz NUKIHVWGDSXMBF-YQQQUEKLSA-N 0 1 387.524 3.372 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000424449775 974037004 /nfs/dbraw/zinc/03/70/04/974037004.db2.gz MALBZEDCAIPMAU-SJORKVTESA-N 0 1 397.466 3.289 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000424449775 974037020 /nfs/dbraw/zinc/03/70/20/974037020.db2.gz MALBZEDCAIPMAU-SJORKVTESA-N 0 1 397.466 3.289 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000424449772 974037461 /nfs/dbraw/zinc/03/74/61/974037461.db2.gz MALBZEDCAIPMAU-DLBZAZTESA-N 0 1 397.466 3.289 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000424449772 974037469 /nfs/dbraw/zinc/03/74/69/974037469.db2.gz MALBZEDCAIPMAU-DLBZAZTESA-N 0 1 397.466 3.289 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC001603667738 974043412 /nfs/dbraw/zinc/04/34/12/974043412.db2.gz LFIBIRCSXNWQSO-LBPRGKRZSA-N 0 1 392.443 3.459 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001606531678 974049501 /nfs/dbraw/zinc/04/95/01/974049501.db2.gz NNQRLISOCWZRHL-RBUKOAKNSA-N 0 1 394.475 3.298 20 0 GGADMN CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2c(C(=O)[O-])cnn2C)cc1 ZINC001603680401 974073787 /nfs/dbraw/zinc/07/37/87/974073787.db2.gz SYBOXSMTLNMVFL-UHFFFAOYSA-N 0 1 396.447 3.384 20 0 GGADMN COc1ccc2c(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc(=O)oc2c1 ZINC001604843259 974081985 /nfs/dbraw/zinc/08/19/85/974081985.db2.gz PMQGUJNFKOPDRZ-RBUKOAKNSA-N 0 1 379.412 3.102 20 0 GGADMN COc1cccc(Sc2ccccc2C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001604875073 974126623 /nfs/dbraw/zinc/12/66/23/974126623.db2.gz VZFGNAMQQWJQEI-KKSFZXQISA-N 0 1 385.485 3.379 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603736419 974174229 /nfs/dbraw/zinc/17/42/29/974174229.db2.gz FMGJQLOKAYZNMC-QGZVFWFLSA-N 0 1 382.464 3.156 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@@H]1C ZINC001603760567 974207491 /nfs/dbraw/zinc/20/74/91/974207491.db2.gz ZMWBNVVEOLBZIJ-AAEUAGOBSA-N 0 1 398.301 3.484 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@](COC)(C(=O)[O-])C3)o2)cc1 ZINC001603812165 974287965 /nfs/dbraw/zinc/28/79/65/974287965.db2.gz JTDAJLNVSNLJTI-OAQYLSRUSA-N 0 1 387.432 3.046 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000514798189 974292785 /nfs/dbraw/zinc/29/27/85/974292785.db2.gz GZEBOJHOHWUJPE-AZUAARDMSA-N 0 1 384.476 3.341 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(C(C)C)CC2)c(C(=O)[O-])c1C ZINC001603823394 974307518 /nfs/dbraw/zinc/30/75/18/974307518.db2.gz AARYBQONKWSGBC-UHFFFAOYSA-N 0 1 396.509 3.238 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000516657136 974308646 /nfs/dbraw/zinc/30/86/46/974308646.db2.gz VILPZWGWMUFSPL-WFASDCNBSA-N 0 1 386.414 3.300 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000516657136 974308652 /nfs/dbraw/zinc/30/86/52/974308652.db2.gz VILPZWGWMUFSPL-WFASDCNBSA-N 0 1 386.414 3.300 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C2CC2)C2CCCC2)c(C(=O)[O-])c1C ZINC001603823902 974309892 /nfs/dbraw/zinc/30/98/92/974309892.db2.gz NKKUWKHHUPDPHI-UHFFFAOYSA-N 0 1 394.493 3.277 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)nn1 ZINC000518782968 974325555 /nfs/dbraw/zinc/32/55/55/974325555.db2.gz TUDNVKCOTBQUOP-OAHLLOKOSA-N 0 1 387.827 3.122 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)nn1 ZINC000518782968 974325566 /nfs/dbraw/zinc/32/55/66/974325566.db2.gz TUDNVKCOTBQUOP-OAHLLOKOSA-N 0 1 387.827 3.122 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000518991665 974326177 /nfs/dbraw/zinc/32/61/77/974326177.db2.gz WASVYHJWHTXONP-KRWDZBQOSA-N 0 1 379.378 3.365 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000518991699 974326369 /nfs/dbraw/zinc/32/63/69/974326369.db2.gz XEKNUSGPBSMEKD-SFHVURJKSA-N 0 1 380.366 3.500 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000519705020 974333451 /nfs/dbraw/zinc/33/34/51/974333451.db2.gz JTAFYHKBJHVAQM-FQEVSTJZSA-N 0 1 377.444 3.011 20 0 GGADMN COCc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000519757233 974335286 /nfs/dbraw/zinc/33/52/86/974335286.db2.gz BSLAZZLFKYOXHE-LJQANCHMSA-N 0 1 385.460 3.424 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000530169948 974360043 /nfs/dbraw/zinc/36/00/43/974360043.db2.gz JWGBVSVSZUIVIY-JOCHJYFZSA-N 0 1 377.444 3.215 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)on1 ZINC000530172507 974361249 /nfs/dbraw/zinc/36/12/49/974361249.db2.gz YREYYQWDHRCWIF-NRFANRHFSA-N 0 1 382.416 3.179 20 0 GGADMN C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CC(C(=O)[O-])C[C@@H]2C)c(OC)c1 ZINC000530179945 974364531 /nfs/dbraw/zinc/36/45/31/974364531.db2.gz OVSLDHAZRHRNSZ-PDEAIHSOSA-N 0 1 377.481 3.042 20 0 GGADMN CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](CCC(=O)[O-])C3)sc2c1 ZINC001603875974 974378065 /nfs/dbraw/zinc/37/80/65/974378065.db2.gz PZACNDPSWDIJJM-ZDUSSCGKSA-N 0 1 391.493 3.210 20 0 GGADMN CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](CCC(=O)[O-])C3)sc2c1 ZINC001603875974 974378068 /nfs/dbraw/zinc/37/80/68/974378068.db2.gz PZACNDPSWDIJJM-ZDUSSCGKSA-N 0 1 391.493 3.210 20 0 GGADMN CC[C@H](NC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)C(=O)[O-] ZINC001603951560 974429365 /nfs/dbraw/zinc/42/93/65/974429365.db2.gz GAGYGZPFSKUVIS-OALUTQOASA-N 0 1 391.512 3.451 20 0 GGADMN 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O=C([O-])[C@@H]1C[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000652506126 975569053 /nfs/dbraw/zinc/56/90/53/975569053.db2.gz SEAQTLFKQQLKIJ-DNVJHFABSA-N 0 1 394.515 3.078 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000652506132 975569731 /nfs/dbraw/zinc/56/97/31/975569731.db2.gz TYVJWGWVYWPZPG-KZNAEPCWSA-N 0 1 389.879 3.188 20 0 GGADMN C[C@](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000653323750 975588392 /nfs/dbraw/zinc/58/83/92/975588392.db2.gz ZLZQGWZMROCGDC-NZQKXSOJSA-N 0 1 380.488 3.200 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001591711489 975593624 /nfs/dbraw/zinc/59/36/24/975593624.db2.gz KVGZGLZHGILPOC-HNNXBMFYSA-N 0 1 396.285 3.149 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001591711489 975593636 /nfs/dbraw/zinc/59/36/36/975593636.db2.gz KVGZGLZHGILPOC-HNNXBMFYSA-N 0 1 396.285 3.149 20 0 GGADMN CC(C)OCC[NH+]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001591724952 975675126 /nfs/dbraw/zinc/67/51/26/975675126.db2.gz PDLWYTMUNIKNCG-INIZCTEOSA-N 0 1 375.296 3.162 20 0 GGADMN CC(C)OCC[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001591724953 975675303 /nfs/dbraw/zinc/67/53/03/975675303.db2.gz PDLWYTMUNIKNCG-MRXNPFEDSA-N 0 1 375.296 3.162 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000656757649 975684500 /nfs/dbraw/zinc/68/45/00/975684500.db2.gz SGTCXUHCRHQWQH-KGLIPLIRSA-N 0 1 383.370 3.254 20 0 GGADMN COc1ccc(-c2cc(C[N@H+]3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)on2)cc1 ZINC000656757768 975684636 /nfs/dbraw/zinc/68/46/36/975684636.db2.gz RZJRTSMUNUEKEA-OLZOCXBDSA-N 0 1 384.354 3.435 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000656763167 975690641 /nfs/dbraw/zinc/69/06/41/975690641.db2.gz DXRIVJUJPIKZFS-AABGKKOBSA-N 0 1 383.492 3.464 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000656762715 975691168 /nfs/dbraw/zinc/69/11/68/975691168.db2.gz CCPSVFLXKXGLEM-BMFAXAFESA-N 0 1 381.900 3.183 20 0 GGADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764376 975694172 /nfs/dbraw/zinc/69/41/72/975694172.db2.gz XMAMUGZXMGXQIU-PKOBYXMFSA-N 0 1 388.489 3.027 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1C(=O)[O-] ZINC001591746332 975782281 /nfs/dbraw/zinc/78/22/81/975782281.db2.gz DGPRGOTXPFXHSJ-CQSZACIVSA-N 0 1 377.485 3.414 20 0 GGADMN CC(C)Oc1c(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC001591747704 975797368 /nfs/dbraw/zinc/79/73/68/975797368.db2.gz WZNPFKIKCJNULO-UHFFFAOYSA-N 0 1 397.475 3.352 20 0 GGADMN CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659753456 975861865 /nfs/dbraw/zinc/86/18/65/975861865.db2.gz LQHSVNSJXXGNSM-FXAWDEMLSA-N 0 1 396.487 3.448 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659763922 975869828 /nfs/dbraw/zinc/86/98/28/975869828.db2.gz MPTXGWXQVMLUCA-OKZBNKHCSA-N 0 1 396.487 3.274 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC001591767336 975877904 /nfs/dbraw/zinc/87/79/04/975877904.db2.gz LQNIIUGQDSZPFG-GOSISDBHSA-N 0 1 383.448 3.480 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC001591767336 975877911 /nfs/dbraw/zinc/87/79/11/975877911.db2.gz LQNIIUGQDSZPFG-GOSISDBHSA-N 0 1 383.448 3.480 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001591768106 975887147 /nfs/dbraw/zinc/88/71/47/975887147.db2.gz ZWLCKRXSKJESSG-INIZCTEOSA-N 0 1 389.496 3.416 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC001591768935 975887172 /nfs/dbraw/zinc/88/71/72/975887172.db2.gz ABBGVDVKPRCTDN-UHFFFAOYSA-N 0 1 385.464 3.426 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001591768107 975887481 /nfs/dbraw/zinc/88/74/81/975887481.db2.gz ZWLCKRXSKJESSG-MRXNPFEDSA-N 0 1 389.496 3.416 20 0 GGADMN C[C@@H](Cc1ccccc1)[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1 ZINC000659804194 975895202 /nfs/dbraw/zinc/89/52/02/975895202.db2.gz VQXQDDWQMBLZNM-SFHVURJKSA-N 0 1 378.476 3.039 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221224 975900682 /nfs/dbraw/zinc/90/06/82/975900682.db2.gz CVHDWNFFQUKUQK-IEBWSBKVSA-N 0 1 382.435 3.314 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221224 975900696 /nfs/dbraw/zinc/90/06/96/975900696.db2.gz CVHDWNFFQUKUQK-IEBWSBKVSA-N 0 1 382.435 3.314 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000666538863 975967527 /nfs/dbraw/zinc/96/75/27/975967527.db2.gz VANAZCFPMBYKBA-ZWKOTPCHSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000666538863 975967535 /nfs/dbraw/zinc/96/75/35/975967535.db2.gz VANAZCFPMBYKBA-ZWKOTPCHSA-N 0 1 387.867 3.283 20 0 GGADMN COCC[N@H+](CC(=O)[O-])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000666579041 975974710 /nfs/dbraw/zinc/97/47/10/975974710.db2.gz WIRWVVZKOGHNKN-UHFFFAOYSA-N 0 1 376.840 3.125 20 0 GGADMN COCC[N@@H+](CC(=O)[O-])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000666579041 975974715 /nfs/dbraw/zinc/97/47/15/975974715.db2.gz WIRWVVZKOGHNKN-UHFFFAOYSA-N 0 1 376.840 3.125 20 0 GGADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000666580929 975975114 /nfs/dbraw/zinc/97/51/14/975975114.db2.gz UAENPVNSVTVTDK-HXUWFJFHSA-N 0 1 395.434 3.272 20 0 GGADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000666580929 975975125 /nfs/dbraw/zinc/97/51/25/975975125.db2.gz UAENPVNSVTVTDK-HXUWFJFHSA-N 0 1 395.434 3.272 20 0 GGADMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000666580526 975975430 /nfs/dbraw/zinc/97/54/30/975975430.db2.gz LRLABUNZDPPGEU-HXUWFJFHSA-N 0 1 377.444 3.133 20 0 GGADMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000666580526 975975438 /nfs/dbraw/zinc/97/54/38/975975438.db2.gz LRLABUNZDPPGEU-HXUWFJFHSA-N 0 1 377.444 3.133 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001591797059 976011684 /nfs/dbraw/zinc/01/16/84/976011684.db2.gz VOZMRQFNJORDMS-UFYCRDLUSA-N 0 1 388.508 3.055 20 0 GGADMN CCCC[C@H](NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000680362664 976053039 /nfs/dbraw/zinc/05/30/39/976053039.db2.gz KOVSIBPRTCWJKW-WMZOPIPTSA-N 0 1 376.497 3.313 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl)C(=O)[O-] ZINC001591865503 976162124 /nfs/dbraw/zinc/16/21/24/976162124.db2.gz AJMHMJKWKSXHOJ-LPHOPBHVSA-N 0 1 380.916 3.353 20 0 GGADMN CC(C)[C@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001591911219 976329513 /nfs/dbraw/zinc/32/95/13/976329513.db2.gz RLTMZGFSYQUPKV-GOSISDBHSA-N 0 1 392.496 3.341 20 0 GGADMN CC(C)[C@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001591911219 976329526 /nfs/dbraw/zinc/32/95/26/976329526.db2.gz RLTMZGFSYQUPKV-GOSISDBHSA-N 0 1 392.496 3.341 20 0 GGADMN CC(C)c1[nH]c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001591912121 976334990 /nfs/dbraw/zinc/33/49/90/976334990.db2.gz DHIZOVRCFKTKMZ-HNNXBMFYSA-N 0 1 388.443 3.371 20 0 GGADMN CC(C)c1[nH]c(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001591912121 976335004 /nfs/dbraw/zinc/33/50/04/976335004.db2.gz DHIZOVRCFKTKMZ-HNNXBMFYSA-N 0 1 388.443 3.371 20 0 GGADMN CC(C)c1[nH]c(C[NH+]2CCC(CCCN3CCOCC3)CC2)cc1C(=O)[O-] ZINC001591912089 976336610 /nfs/dbraw/zinc/33/66/10/976336610.db2.gz CCWSXQXXRJJMEA-UHFFFAOYSA-N 0 1 377.529 3.161 20 0 GGADMN CC(C)c1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C(=O)[O-] ZINC001591912113 976336654 /nfs/dbraw/zinc/33/66/54/976336654.db2.gz CWPSDHUYRHVMBW-OKILXGFUSA-N 0 1 377.485 3.135 20 0 GGADMN CC(C)c1ccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949525 976506924 /nfs/dbraw/zinc/50/69/24/976506924.db2.gz WEQUHTVSLMMRMJ-OALUTQOASA-N 0 1 375.513 3.165 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC001591954515 976526633 /nfs/dbraw/zinc/52/66/33/976526633.db2.gz ZOSFIXKJBOKJBE-UHFFFAOYSA-N 0 1 382.464 3.253 20 0 GGADMN CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001591962204 976546018 /nfs/dbraw/zinc/54/60/18/976546018.db2.gz DIKUXFOLSPJZHU-VQTJNVASSA-N 0 1 382.460 3.254 20 0 GGADMN CC(C)c1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001591965446 976557446 /nfs/dbraw/zinc/55/74/46/976557446.db2.gz LJZJKCPJSPXYMZ-GASCZTMLSA-N 0 1 377.485 3.081 20 0 GGADMN CC(C)c1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001591965446 976557449 /nfs/dbraw/zinc/55/74/49/976557449.db2.gz LJZJKCPJSPXYMZ-GASCZTMLSA-N 0 1 377.485 3.081 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001591986900 976609216 /nfs/dbraw/zinc/60/92/16/976609216.db2.gz JPBGWZGQCMFIIO-QGZVFWFLSA-N 0 1 389.540 3.353 20 0 GGADMN CC(C)c1cnc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)o1 ZINC001592003234 976660282 /nfs/dbraw/zinc/66/02/82/976660282.db2.gz NKCIUHKQSNDXET-DMAKZNTKSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)c1cnc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)o1 ZINC001592003234 976660286 /nfs/dbraw/zinc/66/02/86/976660286.db2.gz NKCIUHKQSNDXET-DMAKZNTKSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001592148087 977007095 /nfs/dbraw/zinc/00/70/95/977007095.db2.gz AYTQINCMYHQGLR-IEODJVTJSA-N 0 1 384.480 3.215 20 0 GGADMN CC(C)n1ncnc1C[NH2+][C@@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001592169365 977066143 /nfs/dbraw/zinc/06/61/43/977066143.db2.gz LNFLJDABWRIJBV-INIZCTEOSA-N 0 1 381.274 3.101 20 0 GGADMN CC(C)[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC001592266982 977510235 /nfs/dbraw/zinc/51/02/35/977510235.db2.gz AFNRDDPODUOSOM-SJCJKPOMSA-N 0 1 386.452 3.349 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001592268381 977523023 /nfs/dbraw/zinc/52/30/23/977523023.db2.gz LHMLRMUWDIGVIT-OXJNMPFZSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC001592268381 977523026 /nfs/dbraw/zinc/52/30/26/977523026.db2.gz LHMLRMUWDIGVIT-OXJNMPFZSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001592268382 977523121 /nfs/dbraw/zinc/52/31/21/977523121.db2.gz LHMLRMUWDIGVIT-OXQOHEQNSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC001592268382 977523123 /nfs/dbraw/zinc/52/31/23/977523123.db2.gz LHMLRMUWDIGVIT-OXQOHEQNSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccccn1 ZINC001592322165 977725098 /nfs/dbraw/zinc/72/50/98/977725098.db2.gz PYXLRYOOUBDLII-PKTZIBPZSA-N 0 1 395.503 3.409 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1nc2ccc(Br)cc2o1)c1ccncc1 ZINC001592329374 977756841 /nfs/dbraw/zinc/75/68/41/977756841.db2.gz GLIPXCIBPSPLTQ-QGZVFWFLSA-N 0 1 390.237 3.465 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccsc2CC(=O)[O-])CC1 ZINC000717536636 977903474 /nfs/dbraw/zinc/90/34/74/977903474.db2.gz MYWYWHDEURPJLA-UHFFFAOYSA-N 0 1 386.517 3.359 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC001592405648 977975845 /nfs/dbraw/zinc/97/58/45/977975845.db2.gz BGIVEURBQDTMFV-SNVBAGLBSA-N 0 1 395.233 3.093 20 0 GGADMN C[C@H](CCNC(=O)NCC1(CC(=O)[O-])CCCC1)[N@@H+](C)Cc1ccccc1 ZINC001592513480 978346248 /nfs/dbraw/zinc/34/62/48/978346248.db2.gz QOMRVTQUECDQJR-QGZVFWFLSA-N 0 1 375.513 3.231 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000737168911 978384313 /nfs/dbraw/zinc/38/43/13/978384313.db2.gz YBPXZMRHERSLKX-GUYCJALGSA-N 0 1 397.903 3.297 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C ZINC001592578679 978485345 /nfs/dbraw/zinc/48/53/45/978485345.db2.gz AUAOSXSKHVIVAN-LKFCYVNXSA-N 0 1 376.375 3.075 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccccc1)C(=O)[O-] ZINC001592592478 978516922 /nfs/dbraw/zinc/51/69/22/978516922.db2.gz DECLFOHQYMQHDU-SFHVURJKSA-N 0 1 380.488 3.405 20 0 GGADMN C[C@H](C[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1)C(=O)[O-] ZINC001592592538 978517671 /nfs/dbraw/zinc/51/76/71/978517671.db2.gz FZCIHVUDCMNOGS-QGZVFWFLSA-N 0 1 383.492 3.304 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001592604535 978544335 /nfs/dbraw/zinc/54/43/35/978544335.db2.gz FKWBAHCZUUBKII-AZUAARDMSA-N 0 1 380.488 3.372 20 0 GGADMN C[C@@H](C[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 ZINC001592611260 978566758 /nfs/dbraw/zinc/56/67/58/978566758.db2.gz MVBMPJLCWQSLMQ-WMLDXEAASA-N 0 1 392.471 3.183 20 0 GGADMN C[C@H](C[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)C1CCCCC1 ZINC001592612156 978572501 /nfs/dbraw/zinc/57/25/01/978572501.db2.gz YPCRKOQRXZOFBR-NVXWUHKLSA-N 0 1 380.529 3.456 20 0 GGADMN O=C([O-])CN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000769461639 978740406 /nfs/dbraw/zinc/74/04/06/978740406.db2.gz ZKBAOFXJOWPXCK-NRFANRHFSA-N 0 1 380.488 3.055 20 0 GGADMN COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000818311110 978909545 /nfs/dbraw/zinc/90/95/45/978909545.db2.gz KYIQSMDOBAGGNA-HSZRJFAPSA-N 0 1 396.487 3.024 20 0 GGADMN CC(C)OCC[NH+]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000827030552 978952206 /nfs/dbraw/zinc/95/22/06/978952206.db2.gz IEKGDRFBSZCAAI-UHFFFAOYSA-N 0 1 389.521 3.051 20 0 GGADMN C[C@H](CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412067 978959130 /nfs/dbraw/zinc/95/91/30/978959130.db2.gz FCQLSZNSXPZVFL-QGZVFWFLSA-N 0 1 383.492 3.437 20 0 GGADMN CC[C@H](C)[N@@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828753002 978987795 /nfs/dbraw/zinc/98/77/95/978987795.db2.gz BYRWGOHTVYSFMJ-INIZCTEOSA-N 0 1 395.459 3.412 20 0 GGADMN CC[C@H](C)[N@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828753002 978987797 /nfs/dbraw/zinc/98/77/97/978987797.db2.gz BYRWGOHTVYSFMJ-INIZCTEOSA-N 0 1 395.459 3.412 20 0 GGADMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829162256 978995276 /nfs/dbraw/zinc/99/52/76/978995276.db2.gz QJWZJBUIXQANHM-JKSUJKDBSA-N 0 1 375.469 3.263 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001595017701 979081981 /nfs/dbraw/zinc/08/19/81/979081981.db2.gz KFBJEHSOFQHPIN-KSZLIROESA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001595017688 979082373 /nfs/dbraw/zinc/08/23/73/979082373.db2.gz JSZMPFSBNCQSRP-IKGGRYGDSA-N 0 1 391.560 3.213 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@@H+]1CCc2sccc2C1 ZINC001592674111 979082995 /nfs/dbraw/zinc/08/29/95/979082995.db2.gz BBUPPMRSKJQRAN-JTQLQIEISA-N 0 1 394.884 3.063 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@H+]1CCc2sccc2C1 ZINC001592674111 979082997 /nfs/dbraw/zinc/08/29/97/979082997.db2.gz BBUPPMRSKJQRAN-JTQLQIEISA-N 0 1 394.884 3.063 20 0 GGADMN CC[C@@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001595017914 979086305 /nfs/dbraw/zinc/08/63/05/979086305.db2.gz NCYXMGUIZCJAQC-APWZRJJASA-N 0 1 399.539 3.203 20 0 GGADMN C[C@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC001592674801 979087013 /nfs/dbraw/zinc/08/70/13/979087013.db2.gz MLNDZKUSYVFULO-CQSZACIVSA-N 0 1 392.459 3.434 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001595018257 979089335 /nfs/dbraw/zinc/08/93/35/979089335.db2.gz QKVKSBURABBLFN-MAUKXSAKSA-N 0 1 389.544 3.110 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001595018374 979090355 /nfs/dbraw/zinc/09/03/55/979090355.db2.gz RGKZTUUZMUILPM-KSZLIROESA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001595018376 979090550 /nfs/dbraw/zinc/09/05/50/979090550.db2.gz RGKZTUUZMUILPM-RCCFBDPRSA-N 0 1 391.560 3.357 20 0 GGADMN O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000833172394 979106275 /nfs/dbraw/zinc/10/62/75/979106275.db2.gz URKVEJPMQWZRDL-KRWDZBQOSA-N 0 1 387.307 3.163 20 0 GGADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000833173658 979107394 /nfs/dbraw/zinc/10/73/94/979107394.db2.gz FLVVDZQVFLXKFF-SFHVURJKSA-N 0 1 390.842 3.453 20 0 GGADMN O=C([O-])CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000833232752 979123506 /nfs/dbraw/zinc/12/35/06/979123506.db2.gz KRGLVEPDMWWBJJ-DEOSSOPVSA-N 0 1 394.320 3.057 20 0 GGADMN C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1oc(Br)cc1C(=O)[O-] ZINC001592688711 979131585 /nfs/dbraw/zinc/13/15/85/979131585.db2.gz KRDNPQIIEVVUNE-SECBINFHSA-N 0 1 391.262 3.085 20 0 GGADMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1oc(Br)cc1C(=O)[O-] ZINC001592688711 979131590 /nfs/dbraw/zinc/13/15/90/979131590.db2.gz KRDNPQIIEVVUNE-SECBINFHSA-N 0 1 391.262 3.085 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1oc(Br)cc1C(=O)[O-] ZINC001592688712 979131600 /nfs/dbraw/zinc/13/16/00/979131600.db2.gz KRDNPQIIEVVUNE-VIFPVBQESA-N 0 1 391.262 3.085 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1oc(Br)cc1C(=O)[O-] ZINC001592688712 979131605 /nfs/dbraw/zinc/13/16/05/979131605.db2.gz KRDNPQIIEVVUNE-VIFPVBQESA-N 0 1 391.262 3.085 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833547379 979201828 /nfs/dbraw/zinc/20/18/28/979201828.db2.gz SDFMRZWRPBIKST-ZDUSSCGKSA-N 0 1 392.297 3.354 20 0 GGADMN CC[C@H](CC(F)(F)F)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001595039868 979218281 /nfs/dbraw/zinc/21/82/81/979218281.db2.gz WMVOOBKIJNFPQE-CRAIPNDOSA-N 0 1 386.414 3.201 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000841771695 979307764 /nfs/dbraw/zinc/30/77/64/979307764.db2.gz WSJKQEFHFBFWAD-GOSISDBHSA-N 0 1 382.435 3.325 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000842659109 979323143 /nfs/dbraw/zinc/32/31/43/979323143.db2.gz ANJSSRHIXRHFIB-RYUDHWBXSA-N 0 1 383.286 3.340 20 0 GGADMN C[C@@](CO)([NH2+]Cc1cc(C(=O)[O-])ccc1F)c1cccc(Br)c1 ZINC001592751357 979323641 /nfs/dbraw/zinc/32/36/41/979323641.db2.gz VVSPSNTVKPKEFQ-KRWDZBQOSA-N 0 1 382.229 3.284 20 0 GGADMN C[C@](CO)([NH2+]Cc1cc(C(=O)[O-])ccc1F)c1cccc(Br)c1 ZINC001592751358 979324043 /nfs/dbraw/zinc/32/40/43/979324043.db2.gz VVSPSNTVKPKEFQ-QGZVFWFLSA-N 0 1 382.229 3.284 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000842674125 979324513 /nfs/dbraw/zinc/32/45/13/979324513.db2.gz VZIYSSPUXCYQCS-VQTJNVASSA-N 0 1 384.520 3.392 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@](C)(C(=O)[O-])C1)Cc1ccccc1 ZINC000846128900 979411450 /nfs/dbraw/zinc/41/14/50/979411450.db2.gz SPRAEVLPNFPACF-NRFANRHFSA-N 0 1 375.513 3.185 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)COC3)CC2 ZINC000846260004 979430459 /nfs/dbraw/zinc/43/04/59/979430459.db2.gz CAPQBYAGYADPMY-IBGZPJMESA-N 0 1 383.444 3.308 20 0 GGADMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000846261384 979431717 /nfs/dbraw/zinc/43/17/17/979431717.db2.gz JBQUEZDIDRKNNU-WVUUARLYSA-N 0 1 381.476 3.307 20 0 GGADMN Cc1oc(C[N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000846262369 979431987 /nfs/dbraw/zinc/43/19/87/979431987.db2.gz YOVVDOCVYIPFBL-HNNXBMFYSA-N 0 1 386.217 3.353 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[NH+]1CCOCC1 ZINC001595106490 979433170 /nfs/dbraw/zinc/43/31/70/979433170.db2.gz OVCYDIJPZGKETR-QGZVFWFLSA-N 0 1 397.903 3.297 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)c2ccccc2Br)Cc2ccccc21 ZINC000846270395 979435029 /nfs/dbraw/zinc/43/50/29/979435029.db2.gz HUBNXLRZGSHJEK-RDJZCZTQSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])C[N@H+](CCc1ccccc1)C[C@H](O)c1ccccc1Br ZINC000846269433 979435543 /nfs/dbraw/zinc/43/55/43/979435543.db2.gz KMKZDAXDWDFTCT-KRWDZBQOSA-N 0 1 378.266 3.112 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)Cc2ccccc21 ZINC000846270396 979435690 /nfs/dbraw/zinc/43/56/90/979435690.db2.gz HUBNXLRZGSHJEK-WBVHZDCISA-N 0 1 376.250 3.167 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-])[NH+]1CCOCC1 ZINC001595106839 979436023 /nfs/dbraw/zinc/43/60/23/979436023.db2.gz XQYXGOAOLRBCQE-HNNXBMFYSA-N 0 1 397.541 3.322 20 0 GGADMN O=C([O-])c1cccc2c1C[N@@H+](C[C@@H](O)c1ccccc1Br)CC2 ZINC000846275883 979442740 /nfs/dbraw/zinc/44/27/40/979442740.db2.gz LYCCOVHZIUTIGD-QGZVFWFLSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000846275694 979442995 /nfs/dbraw/zinc/44/29/95/979442995.db2.gz UAFRBHWUTFYJLG-IRXDYDNUSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000846280279 979448286 /nfs/dbraw/zinc/44/82/86/979448286.db2.gz KEXTUZATBCVGLG-IEBWSBKVSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000846280264 979448652 /nfs/dbraw/zinc/44/86/52/979448652.db2.gz JOBYOCYLRHAPMU-MJGOQNOKSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000846280310 979449984 /nfs/dbraw/zinc/44/99/84/979449984.db2.gz KXXHQAMRYLYTIJ-PKOBYXMFSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000846280853 979451704 /nfs/dbraw/zinc/45/17/04/979451704.db2.gz RHQGDWPMGZLQOI-GGAORHGYSA-N 0 1 381.472 3.473 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000846280859 979451875 /nfs/dbraw/zinc/45/18/75/979451875.db2.gz RLOHDCMAEZRFGS-HKUYNNGSSA-N 0 1 390.277 3.211 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000846281189 979451892 /nfs/dbraw/zinc/45/18/92/979451892.db2.gz UWEZHLONWXXJSZ-KRWDZBQOSA-N 0 1 383.366 3.334 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@H]1COCC2 ZINC000846282353 979452880 /nfs/dbraw/zinc/45/28/80/979452880.db2.gz PATGQHQNBUKTLG-PGRDOPGGSA-N 0 1 385.435 3.328 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](CCCCOc3ccccc3C(F)(F)F)C[C@H]1COCC2 ZINC000846281953 979453181 /nfs/dbraw/zinc/45/31/81/979453181.db2.gz KVXMRVWXSLGJCE-KBXCAEBGSA-N 0 1 387.398 3.288 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282672 979454283 /nfs/dbraw/zinc/45/42/83/979454283.db2.gz BPOHXUHYUADPQX-IUODEOHRSA-N 0 1 388.277 3.444 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282671 979454565 /nfs/dbraw/zinc/45/45/65/979454565.db2.gz BPOHXUHYUADPQX-DOMZBBRYSA-N 0 1 388.277 3.444 20 0 GGADMN C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000846283082 979454885 /nfs/dbraw/zinc/45/48/85/979454885.db2.gz DPBZNVLJKWZWER-PTAUBWNISA-N 0 1 376.840 3.479 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000846285285 979455884 /nfs/dbraw/zinc/45/58/84/979455884.db2.gz MGRJCAWIMAHVOF-JFIYKMOQSA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])C[N@H+](CC[C@H](O)c1ccccc1)Cc1cccc(Br)c1 ZINC000846285500 979458039 /nfs/dbraw/zinc/45/80/39/979458039.db2.gz OMQLRWVKJZNKSQ-KRWDZBQOSA-N 0 1 378.266 3.459 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C[C@H]1COCC2 ZINC000846288349 979458947 /nfs/dbraw/zinc/45/89/47/979458947.db2.gz YWVLIZWPXHJLJT-KBXCAEBGSA-N 0 1 396.365 3.284 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)[O-])cc1SC(F)(F)F ZINC000851708804 979580191 /nfs/dbraw/zinc/58/01/91/979580191.db2.gz ZNSHDEHNIAOWHQ-RYUDHWBXSA-N 0 1 379.400 3.371 20 0 GGADMN O=C([O-])C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000852959513 979592420 /nfs/dbraw/zinc/59/24/20/979592420.db2.gz NJHXWRYOKMSKBR-LPHOPBHVSA-N 0 1 398.425 3.058 20 0 GGADMN O=C([O-])c1coc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000859790904 979632429 /nfs/dbraw/zinc/63/24/29/979632429.db2.gz JXKHOZYUHMMLBA-MRXNPFEDSA-N 0 1 396.365 3.277 20 0 GGADMN CC[C@H](CNC(=O)NCc1ccc(C(=O)[O-])s1)[N@H+]1CCc2ccccc2C1 ZINC001595150310 979639861 /nfs/dbraw/zinc/63/98/61/979639861.db2.gz RRHXENXPYFZGKC-MRXNPFEDSA-N 0 1 387.505 3.082 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3cc(C(F)(F)F)ccc3Cl)CC2)nn1 ZINC000859813336 979643885 /nfs/dbraw/zinc/64/38/85/979643885.db2.gz BDPHTGPTIHMQHR-UHFFFAOYSA-N 0 1 388.777 3.486 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816369 979647228 /nfs/dbraw/zinc/64/72/28/979647228.db2.gz CHLAPOVCHYIOSW-SWLSCSKDSA-N 0 1 393.285 3.179 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816368 979647332 /nfs/dbraw/zinc/64/73/32/979647332.db2.gz CHLAPOVCHYIOSW-IUODEOHRSA-N 0 1 393.285 3.179 20 0 GGADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccc2c(c1)CCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000859816703 979648327 /nfs/dbraw/zinc/64/83/27/979648327.db2.gz IUVZJAJQMLYWGE-AQKFKSFVSA-N 0 1 380.488 3.247 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863474862 979670938 /nfs/dbraw/zinc/67/09/38/979670938.db2.gz GTEPONBVPJEXLY-PSOYPTMXSA-N 0 1 378.472 3.125 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000863532683 979674204 /nfs/dbraw/zinc/67/42/04/979674204.db2.gz MFALDGSHWIIOOO-FOGDFJRCSA-N 0 1 383.124 3.314 20 0 GGADMN CC[C@@H](C[NH2+]C1CCN(CC(=O)[O-])CC1)Cc1cccc(Br)c1 ZINC001595167344 979720181 /nfs/dbraw/zinc/72/01/81/979720181.db2.gz MADNMPCAOGCJJK-CQSZACIVSA-N 0 1 383.330 3.156 20 0 GGADMN CC[C@@](COC)([NH2+]CC(=O)Nc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001595194243 979897761 /nfs/dbraw/zinc/89/77/61/979897761.db2.gz DVUIXNWDRHMLNV-FQEVSTJZSA-N 0 1 388.489 3.246 20 0 GGADMN CC[C@](COC)([NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595195760 979917399 /nfs/dbraw/zinc/91/73/99/979917399.db2.gz YCNKASALZTWJCX-PGRDOPGGSA-N 0 1 390.524 3.117 20 0 GGADMN C[C@@](Cn1cccn1)([NH2+]Cc1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC001592924156 979928972 /nfs/dbraw/zinc/92/89/72/979928972.db2.gz UPYQORHNGQBFCB-INIZCTEOSA-N 0 1 378.226 3.025 20 0 GGADMN C[C@H]1C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000872168185 980069589 /nfs/dbraw/zinc/06/95/89/980069589.db2.gz RWZSOVBKXJXZBG-IINYFYTJSA-N 0 1 381.778 3.459 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000872168185 980069598 /nfs/dbraw/zinc/06/95/98/980069598.db2.gz RWZSOVBKXJXZBG-IINYFYTJSA-N 0 1 381.778 3.459 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000872736952 980129584 /nfs/dbraw/zinc/12/95/84/980129584.db2.gz 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O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007065 980684932 /nfs/dbraw/zinc/68/49/32/980684932.db2.gz JHBWVUOJZPLQBX-WWGRRREGSA-N 0 1 396.281 3.296 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902008414 980686025 /nfs/dbraw/zinc/68/60/25/980686025.db2.gz UJWDUJJQHSRMEG-OAHLLOKOSA-N 0 1 378.270 3.382 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000902009234 980688210 /nfs/dbraw/zinc/68/82/10/980688210.db2.gz AZLZTMWKSINDKM-MRXNPFEDSA-N 0 1 387.505 3.086 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)[C@H](C(=O)[O-])C1 ZINC000902029611 980699533 /nfs/dbraw/zinc/69/95/33/980699533.db2.gz MOGILAQYUAWZDF-WFASDCNBSA-N 0 1 379.254 3.061 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)[O-])cc1OCc1ccccc1 ZINC000902031295 980701921 /nfs/dbraw/zinc/70/19/21/980701921.db2.gz IWKSWPQHMFFUKP-OALUTQOASA-N 0 1 385.460 3.338 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000902031977 980702894 /nfs/dbraw/zinc/70/28/94/980702894.db2.gz NYBPQGJZAFTBOB-OALUTQOASA-N 0 1 385.508 3.293 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000902031973 980703039 /nfs/dbraw/zinc/70/30/39/980703039.db2.gz NYBPQGJZAFTBOB-MOPGFXCFSA-N 0 1 385.508 3.293 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000902031980 980703415 /nfs/dbraw/zinc/70/34/15/980703415.db2.gz NYBPQGJZAFTBOB-RBUKOAKNSA-N 0 1 385.508 3.293 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000902031984 980703432 /nfs/dbraw/zinc/70/34/32/980703432.db2.gz NYBPQGJZAFTBOB-RTBURBONSA-N 0 1 385.508 3.293 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC000902035270 980706330 /nfs/dbraw/zinc/70/63/30/980706330.db2.gz SXRCLZRLEXOQJE-PMACEKPBSA-N 0 1 384.476 3.341 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C(=O)[O-])C1 ZINC000902035221 980706647 /nfs/dbraw/zinc/70/66/47/980706647.db2.gz SDVXUJRKBJGVJL-DLBZAZTESA-N 0 1 397.397 3.014 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C(=O)[O-])C1 ZINC000902035222 980706815 /nfs/dbraw/zinc/70/68/15/980706815.db2.gz SDVXUJRKBJGVJL-IAGOWNOFSA-N 0 1 397.397 3.014 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)[C@H](C(=O)[O-])C1 ZINC000902034597 980706896 /nfs/dbraw/zinc/70/68/96/980706896.db2.gz RAKSBBMCDIBLHN-PWSUYJOCSA-N 0 1 394.212 3.115 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000902037260 980708643 /nfs/dbraw/zinc/70/86/43/980708643.db2.gz ZCOVSNWADQOSJG-UONOGXRCSA-N 0 1 391.386 3.090 20 0 GGADMN O=C([O-])CN1CCC([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000902073324 980721433 /nfs/dbraw/zinc/72/14/33/980721433.db2.gz LIXGHSBIKQVNTL-GRJOEGEGSA-N 0 1 376.500 3.422 20 0 GGADMN CC(C)[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000902080926 980723393 /nfs/dbraw/zinc/72/33/93/980723393.db2.gz ZEVHFSIXDIRAGX-OAQYLSRUSA-N 0 1 376.497 3.074 20 0 GGADMN COc1ccc(C[N@H+](C)Cc2c(C)nn(CCC(=O)[O-])c2C)cc1OC(F)F ZINC000902107906 980737728 /nfs/dbraw/zinc/73/77/28/980737728.db2.gz VWIDPQBDGQHKSA-UHFFFAOYSA-N 0 1 397.422 3.217 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2c(C)nn(CCC(=O)[O-])c2C)cc1OC(F)F ZINC000902107906 980737731 /nfs/dbraw/zinc/73/77/31/980737731.db2.gz VWIDPQBDGQHKSA-UHFFFAOYSA-N 0 1 397.422 3.217 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001595359492 980741607 /nfs/dbraw/zinc/74/16/07/980741607.db2.gz CCHLHMAMXJQEOY-GOSISDBHSA-N 0 1 377.435 3.270 20 0 GGADMN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001595359446 980741679 /nfs/dbraw/zinc/74/16/79/980741679.db2.gz AWIHNSIFQDQSIK-HXUWFJFHSA-N 0 1 399.466 3.231 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902130454 980748964 /nfs/dbraw/zinc/74/89/64/980748964.db2.gz LEUUHWROTVTWLJ-UHFFFAOYSA-N 0 1 389.455 3.457 20 0 GGADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001595360294 980750762 /nfs/dbraw/zinc/75/07/62/980750762.db2.gz GHAHGNDBJZTJQV-NQIIRXRSSA-N 0 1 382.460 3.446 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000902152710 980760156 /nfs/dbraw/zinc/76/01/56/980760156.db2.gz PTBDAZREXZTVAF-OAQYLSRUSA-N 0 1 396.487 3.133 20 0 GGADMN COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC000902186050 980773640 /nfs/dbraw/zinc/77/36/40/980773640.db2.gz VMFPRJPGMTVJJJ-NRFANRHFSA-N 0 1 386.467 3.257 20 0 GGADMN COc1ccc([C@H](Cc2ccc(F)cc2)NC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000902186050 980773644 /nfs/dbraw/zinc/77/36/44/980773644.db2.gz VMFPRJPGMTVJJJ-NRFANRHFSA-N 0 1 386.467 3.257 20 0 GGADMN Cc1oc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cc1C(=O)[O-] ZINC000902205877 980782829 /nfs/dbraw/zinc/78/28/29/980782829.db2.gz FULOHCJSKYTRAA-UHFFFAOYSA-N 0 1 381.226 3.085 20 0 GGADMN O=C([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)o2)cc1 ZINC000902253711 980800368 /nfs/dbraw/zinc/80/03/68/980800368.db2.gz UQFVKZXQCOHOLY-GOSISDBHSA-N 0 1 382.460 3.479 20 0 GGADMN COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)CCCC(=O)[O-])cc1 ZINC000902269389 980809979 /nfs/dbraw/zinc/80/99/79/980809979.db2.gz KGPKRUYXMSJPQK-LEWJYISDSA-N 0 1 396.487 3.034 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000902323222 980831778 /nfs/dbraw/zinc/83/17/78/980831778.db2.gz AMQJRHGUXHVWGP-GFCCVEGCSA-N 0 1 378.416 3.069 20 0 GGADMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001595369069 980834166 /nfs/dbraw/zinc/83/41/66/980834166.db2.gz SYHSHNONQWHEDS-OAQYLSRUSA-N 0 1 393.528 3.309 20 0 GGADMN CCC1(CC)CCC[N@H+](CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C1 ZINC001595374692 980886987 /nfs/dbraw/zinc/88/69/87/980886987.db2.gz PCVCNIZXGRQQHE-UHFFFAOYSA-N 0 1 396.509 3.382 20 0 GGADMN CCC1(CC)CCC[N@@H+](CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C1 ZINC001595374692 980886993 /nfs/dbraw/zinc/88/69/93/980886993.db2.gz PCVCNIZXGRQQHE-UHFFFAOYSA-N 0 1 396.509 3.382 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000902508546 980914639 /nfs/dbraw/zinc/91/46/39/980914639.db2.gz OWEOLQVXUMRUFZ-GOSISDBHSA-N 0 1 385.464 3.083 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000902512459 980915386 /nfs/dbraw/zinc/91/53/86/980915386.db2.gz NEMWFNMDZPSBRC-JFIYKMOQSA-N 0 1 376.497 3.055 20 0 GGADMN O=C([O-])c1cc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cs1 ZINC000902520329 980918047 /nfs/dbraw/zinc/91/80/47/980918047.db2.gz GFKWVFOUNASUFI-MRXNPFEDSA-N 0 1 386.473 3.374 20 0 GGADMN O=C([O-])c1cc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cs1 ZINC000902520329 980918050 /nfs/dbraw/zinc/91/80/50/980918050.db2.gz GFKWVFOUNASUFI-MRXNPFEDSA-N 0 1 386.473 3.374 20 0 GGADMN C[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000902521482 980919128 /nfs/dbraw/zinc/91/91/28/980919128.db2.gz PYVMNYFEGYUZLG-PKOBYXMFSA-N 0 1 391.489 3.432 20 0 GGADMN C[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000902521482 980919131 /nfs/dbraw/zinc/91/91/31/980919131.db2.gz PYVMNYFEGYUZLG-PKOBYXMFSA-N 0 1 391.489 3.432 20 0 GGADMN CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902530542 980924016 /nfs/dbraw/zinc/92/40/16/980924016.db2.gz UFPPFNSNBQGQLR-UHFFFAOYSA-N 0 1 382.460 3.478 20 0 GGADMN CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902530542 980924025 /nfs/dbraw/zinc/92/40/25/980924025.db2.gz UFPPFNSNBQGQLR-UHFFFAOYSA-N 0 1 382.460 3.478 20 0 GGADMN O=C([O-])C[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903601117 980983008 /nfs/dbraw/zinc/98/30/08/980983008.db2.gz FHRBSRCVDBFOMX-OLZOCXBDSA-N 0 1 396.203 3.446 20 0 GGADMN O=C([O-])C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC2(CCOCC2)O1 ZINC000903602189 980983590 /nfs/dbraw/zinc/98/35/90/980983590.db2.gz PEDHFTIEDXYGEO-MRXNPFEDSA-N 0 1 387.398 3.320 20 0 GGADMN O=C([O-])[C@]1(O)CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000903624050 981000512 /nfs/dbraw/zinc/00/05/12/981000512.db2.gz WKJUBTNLAMCKNF-NRFANRHFSA-N 0 1 375.415 3.398 20 0 GGADMN COc1cccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC(=O)[O-])C3)cs2)c1OC ZINC000903631807 981008762 /nfs/dbraw/zinc/00/87/62/981008762.db2.gz ZROCIDXCDASYME-CHWSQXEVSA-N 0 1 376.478 3.370 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC(=O)[O-])C3)cs2)c(OC)c1 ZINC000903631628 981009045 /nfs/dbraw/zinc/00/90/45/981009045.db2.gz UVRQOHHXSVSPHX-CHWSQXEVSA-N 0 1 376.478 3.370 20 0 GGADMN COc1cc(C[N@H+]2CCC3(C2)CCOCC3)c(Br)cc1C(=O)[O-] ZINC000903898594 981027112 /nfs/dbraw/zinc/02/71/12/981027112.db2.gz QQSYUGQVMNBOHR-UHFFFAOYSA-N 0 1 384.270 3.158 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c(Br)cc1C(=O)[O-] ZINC000903899043 981027579 /nfs/dbraw/zinc/02/75/79/981027579.db2.gz VVTZESQLVDFRQR-ZDUSSCGKSA-N 0 1 386.286 3.403 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c(Br)cc1C(=O)[O-] ZINC000903899043 981027582 /nfs/dbraw/zinc/02/75/82/981027582.db2.gz VVTZESQLVDFRQR-ZDUSSCGKSA-N 0 1 386.286 3.403 20 0 GGADMN COc1ccc(F)cc1-c1cncc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000903901748 981029137 /nfs/dbraw/zinc/02/91/37/981029137.db2.gz OWINXPSVAKDQHI-INIZCTEOSA-N 0 1 376.453 3.288 20 0 GGADMN CO[C@H]1CC[N@@H+](CCCCOc2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000903906751 981032013 /nfs/dbraw/zinc/03/20/13/981032013.db2.gz DDDMYKOWJKDZQN-JKSUJKDBSA-N 0 1 386.286 3.172 20 0 GGADMN COc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)c(Br)cc1C(=O)[O-] ZINC000903907620 981032985 /nfs/dbraw/zinc/03/29/85/981032985.db2.gz ORYNDTZMBZABOS-INIZCTEOSA-N 0 1 386.286 3.403 20 0 GGADMN O=C([O-])[C@@]1(O)CC[N@@H+]([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912375 981035399 /nfs/dbraw/zinc/03/53/99/981035399.db2.gz AUUPWDCKXNPJFB-FUHWJXTLSA-N 0 1 394.240 3.199 20 0 GGADMN O=C([O-])[C@@]1(O)CC[N@H+]([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912375 981035403 /nfs/dbraw/zinc/03/54/03/981035403.db2.gz AUUPWDCKXNPJFB-FUHWJXTLSA-N 0 1 394.240 3.199 20 0 GGADMN CCC1CCC([N@@H+](C)CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])CC1 ZINC001595420470 981035603 /nfs/dbraw/zinc/03/56/03/981035603.db2.gz NNPJHYBRXMWTBI-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN O=C([O-])c1cccc2c1OCC[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C2 ZINC000903921748 981039494 /nfs/dbraw/zinc/03/94/94/981039494.db2.gz RALNYVYNVFBELK-MRXNPFEDSA-N 0 1 381.350 3.332 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)s1 ZINC000903923709 981039876 /nfs/dbraw/zinc/03/98/76/981039876.db2.gz AKQPKMMCTUIESU-WCQYABFASA-N 0 1 397.294 3.127 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000903924043 981040662 /nfs/dbraw/zinc/04/06/62/981040662.db2.gz HEKXLSNEJKEINM-WCQYABFASA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@@H+](CCOc3ccccc3Br)C2)s1 ZINC000903923833 981040811 /nfs/dbraw/zinc/04/08/11/981040811.db2.gz COEIPCONBLAJEI-LLVKDONJSA-N 0 1 397.294 3.472 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)s1 ZINC000903925770 981043825 /nfs/dbraw/zinc/04/38/25/981043825.db2.gz WQWOWKWZPRGIOR-GFCCVEGCSA-N 0 1 389.868 3.065 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000903927211 981046088 /nfs/dbraw/zinc/04/60/88/981046088.db2.gz ISZBPPWWGIMXII-NVXWUHKLSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903928761 981048853 /nfs/dbraw/zinc/04/88/53/981048853.db2.gz QNDLZEGYFXHCSZ-GOSISDBHSA-N 0 1 399.834 3.453 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000903928979 981048917 /nfs/dbraw/zinc/04/89/17/981048917.db2.gz UFKMAOVOOJCSFP-SFHVURJKSA-N 0 1 399.834 3.453 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000903931520 981052750 /nfs/dbraw/zinc/05/27/50/981052750.db2.gz VAWSNDVJIXRKGP-QAPCUYQASA-N 0 1 395.377 3.129 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000903931921 981053677 /nfs/dbraw/zinc/05/36/77/981053677.db2.gz YWHIYIZWJKGKED-DOTOQJQBSA-N 0 1 381.350 3.259 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)[C@@H]([C@@H]2CCCO2)C1 ZINC000903941533 981062344 /nfs/dbraw/zinc/06/23/44/981062344.db2.gz PWIDQFWKPZHBKO-UNEWFSDZSA-N 0 1 387.398 3.428 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@@H]([C@H]2CCCO2)C1 ZINC000903942556 981065190 /nfs/dbraw/zinc/06/51/90/981065190.db2.gz XVKXPTGWPOXKLS-ATZDWAIDSA-N 0 1 383.448 3.113 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2Br)[C@H]([C@@H]2CCCO2)C1 ZINC000903942414 981065592 /nfs/dbraw/zinc/06/55/92/981065592.db2.gz XASVGKJGCPFEEQ-KMFMINBZSA-N 0 1 398.297 3.172 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H]([C@H]2CCCO2)C1 ZINC000903943590 981068371 /nfs/dbraw/zinc/06/83/71/981068371.db2.gz LWKCRCWBGREEGH-DJIMGWMZSA-N 0 1 387.398 3.472 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)ccc1OC(F)F ZINC000903945033 981071038 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MDKHFQHKFLMNRX-JENIJYKNSA-N 0 1 387.524 3.075 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001595448087 981097146 /nfs/dbraw/zinc/09/71/46/981097146.db2.gz MDKHFQHKFLMNRX-JENIJYKNSA-N 0 1 387.524 3.075 20 0 GGADMN C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377394 981099541 /nfs/dbraw/zinc/09/95/41/981099541.db2.gz SDJKAXUHFODRGE-HZPDHXFCSA-N 0 1 398.297 3.092 20 0 GGADMN CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595448662 981099633 /nfs/dbraw/zinc/09/96/33/981099633.db2.gz SSQSMWRNAXTYJS-LBPRGKRZSA-N 0 1 382.482 3.134 20 0 GGADMN Cc1cc([C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(=O)[O-])ccc1F ZINC000905388562 981107152 /nfs/dbraw/zinc/10/71/52/981107152.db2.gz ZFVQWEQXEAVWBL-FPOVZHCZSA-N 0 1 386.467 3.141 20 0 GGADMN Cc1cc([C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(=O)[O-])ccc1F ZINC000905388562 981107155 /nfs/dbraw/zinc/10/71/55/981107155.db2.gz ZFVQWEQXEAVWBL-FPOVZHCZSA-N 0 1 386.467 3.141 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1 ZINC001595452874 981116532 /nfs/dbraw/zinc/11/65/32/981116532.db2.gz GFGZPGGDNVJQCD-CSODHUTKSA-N 0 1 379.545 3.173 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595453186 981118237 /nfs/dbraw/zinc/11/82/37/981118237.db2.gz MYIXEJUAIRQLRG-LBPRGKRZSA-N 0 1 382.892 3.455 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)s1 ZINC000905739115 981132529 /nfs/dbraw/zinc/13/25/29/981132529.db2.gz LRKKJRFPSNFVCQ-HNNXBMFYSA-N 0 1 386.452 3.215 20 0 GGADMN COCCCOc1cccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000905749943 981137900 /nfs/dbraw/zinc/13/79/00/981137900.db2.gz PBOALDKIDPYSQT-OAHLLOKOSA-N 0 1 376.478 3.246 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000905750339 981138136 /nfs/dbraw/zinc/13/81/36/981138136.db2.gz QBPYXXFSZSNYHU-CYBMUJFWSA-N 0 1 384.461 3.230 20 0 GGADMN COc1cccc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1OC(F)F ZINC000905751734 981139508 /nfs/dbraw/zinc/13/95/08/981139508.db2.gz YASSYMITUDGUPT-NSHDSACASA-N 0 1 384.404 3.441 20 0 GGADMN C[C@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905752958 981140912 /nfs/dbraw/zinc/14/09/12/981140912.db2.gz XVFULLOATGJNPE-LPHOPBHVSA-N 0 1 378.476 3.443 20 0 GGADMN Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(Br)c3)C2)n1 ZINC000905775294 981149164 /nfs/dbraw/zinc/14/91/64/981149164.db2.gz MOXJOJVYTZEKAF-LBPRGKRZSA-N 0 1 394.269 3.293 20 0 GGADMN O=C([O-])CN1CCC([NH2+]CCc2cc(F)cc(OCc3ccccc3)c2)CC1 ZINC000905787267 981150209 /nfs/dbraw/zinc/15/02/09/981150209.db2.gz XSKFSNGREFGGQY-UHFFFAOYSA-N 0 1 386.467 3.086 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000905799180 981156913 /nfs/dbraw/zinc/15/69/13/981156913.db2.gz QVFKUXOSKMHCLZ-XKGZKEIXSA-N 0 1 380.492 3.374 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000905799180 981156914 /nfs/dbraw/zinc/15/69/14/981156914.db2.gz QVFKUXOSKMHCLZ-XKGZKEIXSA-N 0 1 380.492 3.374 20 0 GGADMN CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1)CC(C)C ZINC000906922575 981176157 /nfs/dbraw/zinc/17/61/57/981176157.db2.gz ZFNIBIMBNNDTFG-UHFFFAOYSA-N 0 1 396.553 3.154 20 0 GGADMN O=C([O-])CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000907547240 981186904 /nfs/dbraw/zinc/18/69/04/981186904.db2.gz DLRDJBPGRVDUJZ-RBUKOAKNSA-N 0 1 386.879 3.147 20 0 GGADMN CC[C@H]1CN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC[N@H+]1Cc1ccccc1 ZINC001595483319 981211549 /nfs/dbraw/zinc/21/15/49/981211549.db2.gz NFBHIZOTRXIZDI-FQEVSTJZSA-N 0 1 395.503 3.228 20 0 GGADMN CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001595484243 981218832 /nfs/dbraw/zinc/21/88/32/981218832.db2.gz VHLBXDDDIMTJAT-LLVKDONJSA-N 0 1 384.274 3.014 20 0 GGADMN CC[C@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484490 981221362 /nfs/dbraw/zinc/22/13/62/981221362.db2.gz QWUPELGTGHXNEL-SFTDATJTSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@H]1CN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484490 981221367 /nfs/dbraw/zinc/22/13/67/981221367.db2.gz QWUPELGTGHXNEL-SFTDATJTSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@H]1CN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484490 981221369 /nfs/dbraw/zinc/22/13/69/981221369.db2.gz QWUPELGTGHXNEL-SFTDATJTSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484489 981221571 /nfs/dbraw/zinc/22/15/71/981221571.db2.gz QWUPELGTGHXNEL-RTWAWAEBSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484489 981221576 /nfs/dbraw/zinc/22/15/76/981221576.db2.gz QWUPELGTGHXNEL-RTWAWAEBSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484489 981221580 /nfs/dbraw/zinc/22/15/80/981221580.db2.gz QWUPELGTGHXNEL-RTWAWAEBSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001595484698 981225256 /nfs/dbraw/zinc/22/52/56/981225256.db2.gz XGQXMIVPHBIORX-RTWAWAEBSA-N 0 1 396.487 3.195 20 0 GGADMN C[C@H](c1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000907810675 981225811 /nfs/dbraw/zinc/22/58/11/981225811.db2.gz IPBMUXSLNXSTGC-LQNXUBFPSA-N 0 1 394.471 3.277 20 0 GGADMN C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907841095 981230750 /nfs/dbraw/zinc/23/07/50/981230750.db2.gz GFCIRTJOCWVGQX-QELHCHSZSA-N 0 1 392.499 3.272 20 0 GGADMN C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907841096 981230989 /nfs/dbraw/zinc/23/09/89/981230989.db2.gz GFCIRTJOCWVGQX-VDEVERMRSA-N 0 1 392.499 3.272 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)[C@@H]2C1 ZINC000907968133 981247158 /nfs/dbraw/zinc/24/71/58/981247158.db2.gz WEJDCORREBZUGD-SGFSRKTBSA-N 0 1 385.508 3.109 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000908065174 981259088 /nfs/dbraw/zinc/25/90/88/981259088.db2.gz NFTVIRZJZKUQMJ-IBGZPJMESA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000908065174 981259092 /nfs/dbraw/zinc/25/90/92/981259092.db2.gz NFTVIRZJZKUQMJ-IBGZPJMESA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000908065491 981259495 /nfs/dbraw/zinc/25/94/95/981259495.db2.gz RZYSNNRPSSZBCQ-SFHVURJKSA-N 0 1 382.435 3.325 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4cc(C(=O)[O-])ccc4[nH]3)ccc2NC1=O ZINC001595499867 981267795 /nfs/dbraw/zinc/26/77/95/981267795.db2.gz QGLZHFVLNOFMBJ-GTNSWQLSSA-N 0 1 394.431 3.221 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4cc(C(=O)[O-])ccc4[nH]3)ccc2NC1=O ZINC001595499866 981267893 /nfs/dbraw/zinc/26/78/93/981267893.db2.gz QGLZHFVLNOFMBJ-DIFFPNOSSA-N 0 1 394.431 3.221 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000908147815 981269022 /nfs/dbraw/zinc/26/90/22/981269022.db2.gz MOKOFDPLNIEVEL-HXUWFJFHSA-N 0 1 394.471 3.018 20 0 GGADMN O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000908379685 981311716 /nfs/dbraw/zinc/31/17/16/981311716.db2.gz YISPEPHHYULPSI-JTDSTZFVSA-N 0 1 398.425 3.201 20 0 GGADMN Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)CC2 ZINC000908418001 981313582 /nfs/dbraw/zinc/31/35/82/981313582.db2.gz DUPSNDQXWGYQIR-CJNGLKHVSA-N 0 1 395.381 3.105 20 0 GGADMN O=C([O-])/C=C\c1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000908421774 981316997 /nfs/dbraw/zinc/31/69/97/981316997.db2.gz ZSQRANYCFLNOAT-QSLUEMALSA-N 0 1 394.471 3.408 20 0 GGADMN Cc1cc(C(=O)[O-])oc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000908424442 981317029 /nfs/dbraw/zinc/31/70/29/981317029.db2.gz BMCWGDLPKAKTCL-SQNIBIBYSA-N 0 1 382.460 3.317 20 0 GGADMN COc1c(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC000908502295 981319268 /nfs/dbraw/zinc/31/92/68/981319268.db2.gz WGUBEUUKVTXDJT-HNNXBMFYSA-N 0 1 386.423 3.383 20 0 GGADMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)N(CCC(=O)[O-])Cc4ccccc4)cc3c2C1 ZINC000908582426 981322003 /nfs/dbraw/zinc/32/20/03/981322003.db2.gz KBEKZCYOUKNWFP-UHFFFAOYSA-N 0 1 391.471 3.273 20 0 GGADMN C[N@H+]1CCc2[nH]c3ccc(C(=O)N(CCC(=O)[O-])Cc4ccccc4)cc3c2C1 ZINC000908582426 981322009 /nfs/dbraw/zinc/32/20/09/981322009.db2.gz KBEKZCYOUKNWFP-UHFFFAOYSA-N 0 1 391.471 3.273 20 0 GGADMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@H](CC(=O)[O-])c4ccc(F)cc4)cc3c2C1 ZINC000908606634 981328785 /nfs/dbraw/zinc/32/87/85/981328785.db2.gz NXIXTMYFDGQWJQ-HXUWFJFHSA-N 0 1 395.434 3.241 20 0 GGADMN C[N@H+]1CCc2[nH]c3ccc(C(=O)N[C@H](CC(=O)[O-])c4ccc(F)cc4)cc3c2C1 ZINC000908606634 981328791 /nfs/dbraw/zinc/32/87/91/981328791.db2.gz NXIXTMYFDGQWJQ-HXUWFJFHSA-N 0 1 395.434 3.241 20 0 GGADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001595529279 981362078 /nfs/dbraw/zinc/36/20/78/981362078.db2.gz JMNVIJQVVCWREH-SUMWQHHRSA-N 0 1 386.414 3.459 20 0 GGADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529587 981364985 /nfs/dbraw/zinc/36/49/85/981364985.db2.gz ZVVUHQSRHFOPEY-SUMWQHHRSA-N 0 1 386.414 3.459 20 0 GGADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529586 981365121 /nfs/dbraw/zinc/36/51/21/981365121.db2.gz ZVVUHQSRHFOPEY-GUYCJALGSA-N 0 1 386.414 3.459 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccc(Br)cc1 ZINC000908848783 981377100 /nfs/dbraw/zinc/37/71/00/981377100.db2.gz MNGVFBFNECOXHW-JYJNAYRXSA-N 0 1 395.297 3.098 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000908899645 981385862 /nfs/dbraw/zinc/38/58/62/981385862.db2.gz WRJGKIRSMFMLFE-SFHVURJKSA-N 0 1 397.475 3.418 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000908907463 981387302 /nfs/dbraw/zinc/38/73/02/981387302.db2.gz DIONPOHQPYIWTM-UHFFFAOYSA-N 0 1 383.370 3.104 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cc1)C(C)C ZINC000908985397 981396236 /nfs/dbraw/zinc/39/62/36/981396236.db2.gz XEOQAGLSTWFMRR-IBGZPJMESA-N 0 1 376.497 3.013 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)[C@@H]1CCSC1 ZINC000909005417 981400690 /nfs/dbraw/zinc/40/06/90/981400690.db2.gz MDNHGUNBKIXMAR-SJORKVTESA-N 0 1 378.538 3.053 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000909272662 981456516 /nfs/dbraw/zinc/45/65/16/981456516.db2.gz RMFVBAZGZOQHSI-SFHVURJKSA-N 0 1 388.851 3.175 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000909272660 981456825 /nfs/dbraw/zinc/45/68/25/981456825.db2.gz RMFVBAZGZOQHSI-GOSISDBHSA-N 0 1 388.851 3.175 20 0 GGADMN CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000909325541 981468612 /nfs/dbraw/zinc/46/86/12/981468612.db2.gz LNTNFGTUJFUNHW-LJQANCHMSA-N 0 1 386.517 3.215 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)Cc2ccccc21 ZINC000909424146 981491625 /nfs/dbraw/zinc/49/16/25/981491625.db2.gz MFYRZDLPXHIKJI-UNMCSNQZSA-N 0 1 392.499 3.152 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000909452589 981496057 /nfs/dbraw/zinc/49/60/57/981496057.db2.gz GSJWIAZKZKBXGC-FQEVSTJZSA-N 0 1 382.435 3.073 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000909452589 981496060 /nfs/dbraw/zinc/49/60/60/981496060.db2.gz GSJWIAZKZKBXGC-FQEVSTJZSA-N 0 1 382.435 3.073 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)NCC3(CC(=O)[O-])CCCCC3)CC2)cs1 ZINC000909464553 981501869 /nfs/dbraw/zinc/50/18/69/981501869.db2.gz JNGBWLMYMJGWDS-UHFFFAOYSA-N 0 1 393.553 3.205 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001595580641 981519109 /nfs/dbraw/zinc/51/91/09/981519109.db2.gz LFDXTRBCQQJPIA-RDJZCZTQSA-N 0 1 383.492 3.450 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1)C(=O)[O-] ZINC000909521088 981527037 /nfs/dbraw/zinc/52/70/37/981527037.db2.gz UNAUJMRPCNRNCQ-HRAATJIYSA-N 0 1 396.487 3.086 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1)C(=O)[O-] ZINC000909521096 981527570 /nfs/dbraw/zinc/52/75/70/981527570.db2.gz UNAUJMRPCNRNCQ-IIBYNOLFSA-N 0 1 396.487 3.086 20 0 GGADMN COCc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000909627276 981555301 /nfs/dbraw/zinc/55/53/01/981555301.db2.gz RKEGWOQSNVXNPW-LJQANCHMSA-N 0 1 386.423 3.273 20 0 GGADMN COCc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000909627276 981555302 /nfs/dbraw/zinc/55/53/02/981555302.db2.gz RKEGWOQSNVXNPW-LJQANCHMSA-N 0 1 386.423 3.273 20 0 GGADMN CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909628971 981557027 /nfs/dbraw/zinc/55/70/27/981557027.db2.gz DDUCLVNVCWUOII-RRQGHBQHSA-N 0 1 389.883 3.377 20 0 GGADMN COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000909629680 981557491 /nfs/dbraw/zinc/55/74/91/981557491.db2.gz VSUXCPUKFLSKFS-HXUWFJFHSA-N 0 1 396.487 3.107 20 0 GGADMN COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000909629558 981557860 /nfs/dbraw/zinc/55/78/60/981557860.db2.gz SYCFWOMQKIAAIZ-SFHVURJKSA-N 0 1 390.867 3.008 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000909630359 981558322 /nfs/dbraw/zinc/55/83/22/981558322.db2.gz OAMOAXRNWAJQRI-OTWHNJEPSA-N 0 1 390.911 3.374 20 0 GGADMN O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000909668904 981564741 /nfs/dbraw/zinc/56/47/41/981564741.db2.gz ROSATPOBBCEHIA-MOPGFXCFSA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000909668904 981564744 /nfs/dbraw/zinc/56/47/44/981564744.db2.gz ROSATPOBBCEHIA-MOPGFXCFSA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000909668906 981564813 /nfs/dbraw/zinc/56/48/13/981564813.db2.gz ROSATPOBBCEHIA-RBUKOAKNSA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000909668906 981564816 /nfs/dbraw/zinc/56/48/16/981564816.db2.gz ROSATPOBBCEHIA-RBUKOAKNSA-N 0 1 376.472 3.330 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@](C)(CC(=O)[O-])c3cccc(F)c3)CC2)[nH+]c1 ZINC000909684379 981570684 /nfs/dbraw/zinc/57/06/84/981570684.db2.gz XAONKWGZCMXTLF-QFIPXVFZSA-N 0 1 399.466 3.252 20 0 GGADMN C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000909684746 981571391 /nfs/dbraw/zinc/57/13/91/981571391.db2.gz ZPXOQKSNEYJHFS-VFNWGFHPSA-N 0 1 376.472 3.286 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000909702273 981575633 /nfs/dbraw/zinc/57/56/33/981575633.db2.gz GWNZJDUEUSXCNR-VQTJNVASSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000909702724 981576425 /nfs/dbraw/zinc/57/64/25/981576425.db2.gz IKRNYYCJCPBCQM-AZUAARDMSA-N 0 1 384.451 3.022 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000909703874 981576939 /nfs/dbraw/zinc/57/69/39/981576939.db2.gz SDBRWWKCFKYRMV-CTNGQTDRSA-N 0 1 398.478 3.065 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000909703725 981577334 /nfs/dbraw/zinc/57/73/34/981577334.db2.gz QYBNUPXXHVSVLM-DLBZAZTESA-N 0 1 378.831 3.066 20 0 GGADMN COc1cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C(=O)[O-] ZINC000909730833 981583815 /nfs/dbraw/zinc/58/38/15/981583815.db2.gz IRCMCTNNSIYBNQ-HUUCEWRRSA-N 0 1 398.459 3.255 20 0 GGADMN COc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)ccc1C(=O)[O-] ZINC000909730813 981583917 /nfs/dbraw/zinc/58/39/17/981583917.db2.gz HCQDGZXIPWMAHH-OAHLLOKOSA-N 0 1 386.423 3.383 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1cccc(Br)c1 ZINC000909755099 981590501 /nfs/dbraw/zinc/59/05/01/981590501.db2.gz APFLDBIWUBFSQL-XHSDSOJGSA-N 0 1 395.297 3.098 20 0 GGADMN CN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000909784965 981620170 /nfs/dbraw/zinc/62/01/70/981620170.db2.gz LPZJTPRUYCTCHD-GOSISDBHSA-N 0 1 376.840 3.069 20 0 GGADMN CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000909787144 981622696 /nfs/dbraw/zinc/62/26/96/981622696.db2.gz ZGXUYOBJFRPDPH-GOSISDBHSA-N 0 1 382.460 3.025 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000909790943 981628226 /nfs/dbraw/zinc/62/82/26/981628226.db2.gz SIPNTCNBHHZIFJ-LAUBAEHRSA-N 0 1 396.487 3.382 20 0 GGADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909805859 981634142 /nfs/dbraw/zinc/63/41/42/981634142.db2.gz KYHFMCSPLCPSGP-INIZCTEOSA-N 0 1 397.313 3.125 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000909807458 981634714 /nfs/dbraw/zinc/63/47/14/981634714.db2.gz IETNLXIIURIELD-OKILXGFUSA-N 0 1 397.313 3.125 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000909818097 981639833 /nfs/dbraw/zinc/63/98/33/981639833.db2.gz ACVVDXCYCOIUAR-KSFYIVLOSA-N 0 1 388.508 3.156 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000909821280 981642716 /nfs/dbraw/zinc/64/27/16/981642716.db2.gz POJOULLNYZIGJE-WZONZLPQSA-N 0 1 396.487 3.023 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000909821276 981642985 /nfs/dbraw/zinc/64/29/85/981642985.db2.gz POJOULLNYZIGJE-JPYJTQIMSA-N 0 1 396.487 3.023 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@@H](Cc3ccccc3)C(=O)[O-])CC2)[nH+]c1 ZINC000909820489 981643011 /nfs/dbraw/zinc/64/30/11/981643011.db2.gz QCQFQEMFIZTMGI-YLJYHZDGSA-N 0 1 395.503 3.055 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000909822777 981644596 /nfs/dbraw/zinc/64/45/96/981644596.db2.gz WNJJQYRYDUREDH-NRFANRHFSA-N 0 1 376.497 3.156 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000909840206 981661154 /nfs/dbraw/zinc/66/11/54/981661154.db2.gz KXHBQMJDAGGYCV-VGSWGCGISA-N 0 1 388.508 3.267 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000909840205 981661388 /nfs/dbraw/zinc/66/13/88/981661388.db2.gz KXHBQMJDAGGYCV-VGOFRKELSA-N 0 1 388.508 3.267 20 0 GGADMN CC[C@](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909843469 981665821 /nfs/dbraw/zinc/66/58/21/981665821.db2.gz IEPWQUNSHIJREW-WMZHIEFXSA-N 0 1 380.488 3.057 20 0 GGADMN CC[C@](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909843466 981665950 /nfs/dbraw/zinc/66/59/50/981665950.db2.gz IEPWQUNSHIJREW-AUSIDOKSSA-N 0 1 380.488 3.057 20 0 GGADMN O=C([O-])C12CCC(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)(CC1)CC2 ZINC000909851432 981678012 /nfs/dbraw/zinc/67/80/12/981678012.db2.gz SDKJNRIDOVSONO-BILPFLMXSA-N 0 1 382.504 3.145 20 0 GGADMN CCC[C@H]1CC(=O)N(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)C1 ZINC001595620094 981684882 /nfs/dbraw/zinc/68/48/82/981684882.db2.gz WSRSEUJHJNBNKE-AWEZNQCLSA-N 0 1 397.313 3.332 20 0 GGADMN CCC[C@H]1CC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)C1 ZINC001595620094 981684886 /nfs/dbraw/zinc/68/48/86/981684886.db2.gz WSRSEUJHJNBNKE-AWEZNQCLSA-N 0 1 397.313 3.332 20 0 GGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595620214 981686780 /nfs/dbraw/zinc/68/67/80/981686780.db2.gz ZMJZUNTZZMJENT-AAEUAGOBSA-N 0 1 396.509 3.380 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000909862942 981686793 /nfs/dbraw/zinc/68/67/93/981686793.db2.gz RJJXWTXOXVFIJL-XUZZJYLKSA-N 0 1 392.499 3.296 20 0 GGADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595620193 981687019 /nfs/dbraw/zinc/68/70/19/981687019.db2.gz YXUXJBHTBDPQHW-YPMHNXCESA-N 0 1 396.509 3.380 20 0 GGADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595620217 981687063 /nfs/dbraw/zinc/68/70/63/981687063.db2.gz ZMJZUNTZZMJENT-YPMHNXCESA-N 0 1 396.509 3.380 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)CC2)[nH+]c1 ZINC000909960568 981714459 /nfs/dbraw/zinc/71/44/59/981714459.db2.gz PUBWUTOXCXRWGE-GBESFXJTSA-N 0 1 385.508 3.098 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001595625012 981741349 /nfs/dbraw/zinc/74/13/49/981741349.db2.gz MPMYPUJRIANTFW-VQTJNVASSA-N 0 1 387.524 3.183 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001595625159 981744433 /nfs/dbraw/zinc/74/44/33/981744433.db2.gz QTJJXXQUINZELT-NRFANRHFSA-N 0 1 395.503 3.310 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000910073178 981753367 /nfs/dbraw/zinc/75/33/67/981753367.db2.gz XVNCQMHYDNGUNT-GOSISDBHSA-N 0 1 396.462 3.321 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595627923 981778513 /nfs/dbraw/zinc/77/85/13/981778513.db2.gz ZWJXROAPBKOTDJ-KURKYZTESA-N 0 1 385.464 3.281 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595627924 981778833 /nfs/dbraw/zinc/77/88/33/981778833.db2.gz ZWJXROAPBKOTDJ-KZNAEPCWSA-N 0 1 385.464 3.281 20 0 GGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001595628381 981784791 /nfs/dbraw/zinc/78/47/91/981784791.db2.gz WHFMBLUXMWUNSH-LFDOHDQPSA-N 0 1 384.517 3.168 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000910230779 981794613 /nfs/dbraw/zinc/79/46/13/981794613.db2.gz MBQQMJSGXNZYPT-NHCUHLMSSA-N 0 1 386.536 3.338 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F)C(=O)[O-] ZINC000910234138 981798362 /nfs/dbraw/zinc/79/83/62/981798362.db2.gz RPDBHTKOSJMKHJ-HOCLYGCPSA-N 0 1 386.423 3.138 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F)C(=O)[O-] ZINC000910233922 981798517 /nfs/dbraw/zinc/79/85/17/981798517.db2.gz QSJBZQJCVDGTNT-ZIAGYGMSSA-N 0 1 378.444 3.271 20 0 GGADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(OC(=O)C2CC2)c(OC)c1)CC1CC1 ZINC001594787525 981823314 /nfs/dbraw/zinc/82/33/14/981823314.db2.gz HCNFWZWTJKTHQB-NRFANRHFSA-N 0 1 375.465 3.476 20 0 GGADMN O=C([O-])c1ccc(C(F)(F)F)nc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000910276270 981837271 /nfs/dbraw/zinc/83/72/71/981837271.db2.gz FPSFDSFZJLPQGT-UHFFFAOYSA-N 0 1 395.381 3.243 20 0 GGADMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC1CC1 ZINC001594790999 981846327 /nfs/dbraw/zinc/84/63/27/981846327.db2.gz DRJPAAMCMMYMPB-FQEVSTJZSA-N 0 1 387.505 3.374 20 0 GGADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC1CC1 ZINC001594791000 981846418 /nfs/dbraw/zinc/84/64/18/981846418.db2.gz DRJPAAMCMMYMPB-HXUWFJFHSA-N 0 1 387.505 3.374 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000910301423 981857924 /nfs/dbraw/zinc/85/79/24/981857924.db2.gz MBPNSFNXDOJAAM-YSIASYRMSA-N 0 1 379.460 3.120 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H](CC(=O)[O-])c3cccc(C)c3)CC2)[nH+]c1 ZINC000910368276 981899066 /nfs/dbraw/zinc/89/90/66/981899066.db2.gz TXQHBTWXPKXQAH-LJQANCHMSA-N 0 1 381.476 3.247 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C2 ZINC000910421608 981926571 /nfs/dbraw/zinc/92/65/71/981926571.db2.gz NANPUHPMNUTHAL-VPWXQRGCSA-N 0 1 376.884 3.018 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C2 ZINC000910421608 981926578 /nfs/dbraw/zinc/92/65/78/981926578.db2.gz NANPUHPMNUTHAL-VPWXQRGCSA-N 0 1 376.884 3.018 20 0 GGADMN CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1 ZINC001594809749 981930167 /nfs/dbraw/zinc/93/01/67/981930167.db2.gz OAZZCVGDYTWSKI-MRVPVSSYSA-N 0 1 397.273 3.129 20 0 GGADMN CCCC[C@@H]([NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001595640549 981962943 /nfs/dbraw/zinc/96/29/43/981962943.db2.gz IYLYYKJNYMXSHE-CYBMUJFWSA-N 0 1 383.514 3.169 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000910500133 981966244 /nfs/dbraw/zinc/96/62/44/981966244.db2.gz KFRWNGKUNLHILH-HXUWFJFHSA-N 0 1 396.462 3.321 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000910502809 981968009 /nfs/dbraw/zinc/96/80/09/981968009.db2.gz ICJNMPMVTHGUGE-OAQYLSRUSA-N 0 1 378.472 3.324 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567441 981993506 /nfs/dbraw/zinc/99/35/06/981993506.db2.gz LRQWMBOHPZNDRJ-MJGOQNOKSA-N 0 1 376.472 3.187 20 0 GGADMN CCCC[C@@H](SCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(=O)[O-] ZINC001595655632 982046637 /nfs/dbraw/zinc/04/66/37/982046637.db2.gz NMFVOMJJKQBBBY-SJLPKXTDSA-N 0 1 378.538 3.268 20 0 GGADMN O=C([O-])[C@H]1CCc2sc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC000910678812 982054492 /nfs/dbraw/zinc/05/44/92/982054492.db2.gz YQXLCMHBKKLSFL-JKSUJKDBSA-N 0 1 399.516 3.183 20 0 GGADMN O=C([O-])c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000910687363 982064090 /nfs/dbraw/zinc/06/40/90/982064090.db2.gz KXYUPUFRWRRZMY-CALCHBBNSA-N 0 1 384.863 3.242 20 0 GGADMN O=C([O-])c1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1Br ZINC000910704459 982074786 /nfs/dbraw/zinc/07/47/86/982074786.db2.gz QXZBGRNHXBYUFP-OAHLLOKOSA-N 0 1 381.270 3.493 20 0 GGADMN Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C(=O)[O-] ZINC000910720191 982082192 /nfs/dbraw/zinc/08/21/92/982082192.db2.gz ZEFGPGFOSJVWKE-IRXDYDNUSA-N 0 1 399.516 3.335 20 0 GGADMN CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001594858538 982126107 /nfs/dbraw/zinc/12/61/07/982126107.db2.gz GSEPYYULJOMFBV-JOCHJYFZSA-N 0 1 395.459 3.197 20 0 GGADMN CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001594858538 982126109 /nfs/dbraw/zinc/12/61/09/982126109.db2.gz GSEPYYULJOMFBV-JOCHJYFZSA-N 0 1 395.459 3.197 20 0 GGADMN CCCCC[C@@H]([NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)C(=O)[O-] ZINC001595682950 982168070 /nfs/dbraw/zinc/16/80/70/982168070.db2.gz GMCORLQZOGQHPO-OAHLLOKOSA-N 0 1 381.473 3.132 20 0 GGADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910951653 982174373 /nfs/dbraw/zinc/17/43/73/982174373.db2.gz KJNXWZHAXYBBIA-FQEVSTJZSA-N 0 1 383.492 3.447 20 0 GGADMN CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872825 982189335 /nfs/dbraw/zinc/18/93/35/982189335.db2.gz GGNJLWWKIOFLCV-KSYCFECVSA-N 0 1 398.297 3.137 20 0 GGADMN O=C([O-])c1cccc2c1OCCN(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000911029451 982196178 /nfs/dbraw/zinc/19/61/78/982196178.db2.gz UDQSPFIJGNSBIC-IBGZPJMESA-N 0 1 394.471 3.018 20 0 GGADMN O=C([O-])c1cccc2c1OCCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000911029452 982196634 /nfs/dbraw/zinc/19/66/34/982196634.db2.gz UDQSPFIJGNSBIC-LJQANCHMSA-N 0 1 394.471 3.018 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696478 982230187 /nfs/dbraw/zinc/23/01/87/982230187.db2.gz JLXSLSOUQNQUQA-OXJNMPFZSA-N 0 1 386.533 3.009 20 0 GGADMN CCCCCC[C@](O)(C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)[O-] ZINC001595696524 982230246 /nfs/dbraw/zinc/23/02/46/982230246.db2.gz ANJGFUSMIXVMNP-YRNRMSPPSA-N 0 1 386.533 3.102 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)C(=O)[O-] ZINC001595696761 982233249 /nfs/dbraw/zinc/23/32/49/982233249.db2.gz LNEIWUWEKYYSLK-UWJYYQICSA-N 0 1 377.529 3.185 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)C(=O)[O-] ZINC001595696757 982233277 /nfs/dbraw/zinc/23/32/77/982233277.db2.gz LNEIWUWEKYYSLK-LAUBAEHRSA-N 0 1 377.529 3.185 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)C(=O)[O-] ZINC001595696759 982233636 /nfs/dbraw/zinc/23/36/36/982233636.db2.gz LNEIWUWEKYYSLK-UTKZUKDTSA-N 0 1 377.529 3.185 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000911107241 982242311 /nfs/dbraw/zinc/24/23/11/982242311.db2.gz KJQIDUKTJSIZLZ-MRXNPFEDSA-N 0 1 390.867 3.435 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595698252 982249651 /nfs/dbraw/zinc/24/96/51/982249651.db2.gz QDNZUZFWBWWPHM-FOIQADDNSA-N 0 1 386.533 3.008 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595698258 982249668 /nfs/dbraw/zinc/24/96/68/982249668.db2.gz QDNZUZFWBWWPHM-YWZLYKJASA-N 0 1 386.533 3.008 20 0 GGADMN O=C([O-])c1cn(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc12 ZINC000911135160 982254728 /nfs/dbraw/zinc/25/47/28/982254728.db2.gz JWNMYRRQTZZUGD-UHFFFAOYSA-N 0 1 391.471 3.074 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21)C(=O)[O-] ZINC001594886661 982265924 /nfs/dbraw/zinc/26/59/24/982265924.db2.gz AKUCMNBXMOTKBT-IEZWGBDMSA-N 0 1 375.513 3.033 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000911177735 982268635 /nfs/dbraw/zinc/26/86/35/982268635.db2.gz VDRCWSYBBBVMEG-OAHLLOKOSA-N 0 1 384.476 3.377 20 0 GGADMN CCCCCC[C@](O)(C[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1)C(=O)[O-] ZINC001595703589 982270492 /nfs/dbraw/zinc/27/04/92/982270492.db2.gz VLVZGLBSHUMHRR-QFIPXVFZSA-N 0 1 385.508 3.325 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1)C(=O)[O-] ZINC001595703589 982270497 /nfs/dbraw/zinc/27/04/97/982270497.db2.gz VLVZGLBSHUMHRR-QFIPXVFZSA-N 0 1 385.508 3.325 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000911188200 982275016 /nfs/dbraw/zinc/27/50/16/982275016.db2.gz QCQCGGOFPZYTPI-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cc(C)c(C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000911191890 982276961 /nfs/dbraw/zinc/27/69/61/982276961.db2.gz SAZLBKCVZBCJIO-INIZCTEOSA-N 0 1 386.448 3.252 20 0 GGADMN C[N@@H+](CCNC(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CCCCC1 ZINC000911193660 982278123 /nfs/dbraw/zinc/27/81/23/982278123.db2.gz GBNWEOLVDOUTGC-UHFFFAOYSA-N 0 1 383.286 3.142 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000911205051 982283637 /nfs/dbraw/zinc/28/36/37/982283637.db2.gz FIRCKOAAWFHEEJ-CYBMUJFWSA-N 0 1 397.313 3.389 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)C(=O)[O-] ZINC001594890434 982284729 /nfs/dbraw/zinc/28/47/29/982284729.db2.gz HCVWZYQFQYPIJV-BKTGTZMESA-N 0 1 382.451 3.164 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC001594892220 982294624 /nfs/dbraw/zinc/29/46/24/982294624.db2.gz PAEJRQSLBCVZPD-IIBYNOLFSA-N 0 1 390.524 3.269 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC001594892219 982294695 /nfs/dbraw/zinc/29/46/95/982294695.db2.gz PAEJRQSLBCVZPD-IERDGZPVSA-N 0 1 390.524 3.269 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC001595712280 982305683 /nfs/dbraw/zinc/30/56/83/982305683.db2.gz OEEMIZLZTBFRHA-IEBWSBKVSA-N 0 1 376.497 3.229 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911235925 982306231 /nfs/dbraw/zinc/30/62/31/982306231.db2.gz HJSJXMOPOBEMSW-IXDOHACOSA-N 0 1 383.492 3.203 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000911239268 982308294 /nfs/dbraw/zinc/30/82/94/982308294.db2.gz HJQCJJFLBZCUGP-HXUWFJFHSA-N 0 1 381.476 3.215 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC001595712573 982308844 /nfs/dbraw/zinc/30/88/44/982308844.db2.gz ZTAKVDSBSUQNDA-KRWDZBQOSA-N 0 1 386.496 3.101 20 0 GGADMN O=C([O-])c1cn(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c2ccccc12 ZINC000911242549 982309384 /nfs/dbraw/zinc/30/93/84/982309384.db2.gz UPELGWSNLUTCPN-UHFFFAOYSA-N 0 1 397.519 3.454 20 0 GGADMN O=C([O-])C12CCC(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)(CC1)CC2 ZINC000911253609 982317373 /nfs/dbraw/zinc/31/73/73/982317373.db2.gz FZLVBNIBBOHCFL-BVVFMGSASA-N 0 1 384.520 3.440 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)Cc1ccccc1 ZINC001595716107 982319955 /nfs/dbraw/zinc/31/99/55/982319955.db2.gz QYPIZQWIPFHMDX-IEBWSBKVSA-N 0 1 375.513 3.183 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)Cc1ccccc1 ZINC001595716108 982320157 /nfs/dbraw/zinc/32/01/57/982320157.db2.gz QYPIZQWIPFHMDX-MJGOQNOKSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000911261571 982320045 /nfs/dbraw/zinc/32/00/45/982320045.db2.gz MBUKICXOWZFZLA-QXSJWSMHSA-N 0 1 378.538 3.348 20 0 GGADMN O=C([O-])c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000911293468 982328793 /nfs/dbraw/zinc/32/87/93/982328793.db2.gz KGLWXWFROIXXSG-MRXNPFEDSA-N 0 1 386.879 3.333 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)cc2Cl)CC1 ZINC000911318689 982342435 /nfs/dbraw/zinc/34/24/35/982342435.db2.gz CPSCHVJMRAFNLL-DAXSKMNVSA-N 0 1 389.839 3.035 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2Cl)CC1 ZINC000911320825 982344391 /nfs/dbraw/zinc/34/43/91/982344391.db2.gz ZCLCWDRWHNUVFY-UHFFFAOYSA-N 0 1 379.869 3.104 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000911322759 982346552 /nfs/dbraw/zinc/34/65/52/982346552.db2.gz FUXRPLGUYNPTAM-MRXNPFEDSA-N 0 1 386.448 3.119 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000911322757 982346648 /nfs/dbraw/zinc/34/66/48/982346648.db2.gz FUXRPLGUYNPTAM-INIZCTEOSA-N 0 1 386.448 3.119 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000911323125 982347016 /nfs/dbraw/zinc/34/70/16/982347016.db2.gz HBKXLIATIWJAQK-IBGZPJMESA-N 0 1 382.460 3.217 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001594898223 982347871 /nfs/dbraw/zinc/34/78/71/982347871.db2.gz VCEAGJFRDWMHPR-AHIWAGSCSA-N 0 1 375.494 3.076 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000911324291 982349378 /nfs/dbraw/zinc/34/93/78/982349378.db2.gz ZENACJFTZDZWJL-HJCTWCACSA-N 0 1 398.459 3.210 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)s1 ZINC001595727705 982353975 /nfs/dbraw/zinc/35/39/75/982353975.db2.gz IJGBQQQRIJBRDF-ILXRZTDVSA-N 0 1 394.541 3.175 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)s1 ZINC001595727705 982353982 /nfs/dbraw/zinc/35/39/82/982353982.db2.gz IJGBQQQRIJBRDF-ILXRZTDVSA-N 0 1 394.541 3.175 20 0 GGADMN C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000911332281 982356301 /nfs/dbraw/zinc/35/63/01/982356301.db2.gz ZHSGWRVZIBABPL-SZVBFZGTSA-N 0 1 397.475 3.480 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001595734148 982373430 /nfs/dbraw/zinc/37/34/30/982373430.db2.gz NYYYTJWDWZKWOJ-UHFFFAOYSA-N 0 1 396.557 3.481 20 0 GGADMN O=C([O-])c1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000911361701 982378547 /nfs/dbraw/zinc/37/85/47/982378547.db2.gz BTOYJZBRTSEDSH-XMMPIXPASA-N 0 1 392.499 3.442 20 0 GGADMN CC1(C)C[N@H+](C2(CNC(=O)CC3(CC(=O)[O-])CCCC3)CCCCC2)CCO1 ZINC000911364616 982381539 /nfs/dbraw/zinc/38/15/39/982381539.db2.gz KOJXJDSJBVALQX-UHFFFAOYSA-N 0 1 394.556 3.342 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595737012 982388020 /nfs/dbraw/zinc/38/80/20/982388020.db2.gz JPBCYDMCZGYRJR-GXTWGEPZSA-N 0 1 382.530 3.117 20 0 GGADMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595737213 982390538 /nfs/dbraw/zinc/39/05/38/982390538.db2.gz QGNBIRDWGUWPOJ-CQSZACIVSA-N 0 1 386.496 3.054 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001594908297 982396835 /nfs/dbraw/zinc/39/68/35/982396835.db2.gz FBEFSACXZMZSHR-QVKFZJNVSA-N 0 1 385.508 3.023 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001594908296 982396891 /nfs/dbraw/zinc/39/68/91/982396891.db2.gz FBEFSACXZMZSHR-BTYIYWSLSA-N 0 1 385.508 3.023 20 0 GGADMN Cc1ccc(N2CCC(C(=O)Nc3cc4[nH]ccc4c(C(=O)[O-])c3)CC2)[nH+]c1 ZINC000911386183 982409903 /nfs/dbraw/zinc/40/99/03/982409903.db2.gz BJAJDHISHUWOSI-UHFFFAOYSA-N 0 1 378.432 3.425 20 0 GGADMN O=C([O-])c1cn(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c2ccccc12 ZINC000911396303 982416543 /nfs/dbraw/zinc/41/65/43/982416543.db2.gz LYMAKYSNTHDDDE-KRWDZBQOSA-N 0 1 383.492 3.253 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911410537 982420357 /nfs/dbraw/zinc/42/03/57/982420357.db2.gz UZHFZPRVNUIEOP-SWIMNWDESA-N 0 1 384.520 3.438 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000911413600 982421264 /nfs/dbraw/zinc/42/12/64/982421264.db2.gz VGZHYSPFVJNOAB-VNQPRFMTSA-N 0 1 386.414 3.315 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000911413598 982421486 /nfs/dbraw/zinc/42/14/86/982421486.db2.gz VGZHYSPFVJNOAB-CWRNSKLLSA-N 0 1 386.414 3.315 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000911427307 982428105 /nfs/dbraw/zinc/42/81/05/982428105.db2.gz LPTWFDJYTOZQKV-UHFFFAOYSA-N 0 1 396.443 3.370 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000911427307 982428108 /nfs/dbraw/zinc/42/81/08/982428108.db2.gz LPTWFDJYTOZQKV-UHFFFAOYSA-N 0 1 396.443 3.370 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000911429521 982429760 /nfs/dbraw/zinc/42/97/60/982429760.db2.gz XKSGJADEMDIUNS-FUHWJXTLSA-N 0 1 398.528 3.251 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000911429521 982429763 /nfs/dbraw/zinc/42/97/63/982429763.db2.gz XKSGJADEMDIUNS-FUHWJXTLSA-N 0 1 398.528 3.251 20 0 GGADMN CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)c2C1 ZINC001595751138 982432591 /nfs/dbraw/zinc/43/25/91/982432591.db2.gz NAHGDQTWRRSRGF-UHFFFAOYSA-N 0 1 388.489 3.442 20 0 GGADMN CCCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)c2C1 ZINC001595751138 982432594 /nfs/dbraw/zinc/43/25/94/982432594.db2.gz NAHGDQTWRRSRGF-UHFFFAOYSA-N 0 1 388.489 3.442 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001595751722 982436235 /nfs/dbraw/zinc/43/62/35/982436235.db2.gz VTTXWUNYPSGKEP-QZTJIDSGSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000911461486 982443495 /nfs/dbraw/zinc/44/34/95/982443495.db2.gz BZAZCRAKEACUBS-GJZGRUSLSA-N 0 1 376.522 3.389 20 0 GGADMN O=C([O-])c1ccnc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000911479437 982452221 /nfs/dbraw/zinc/45/22/21/982452221.db2.gz FYFWXKKEOQOWMF-UHFFFAOYSA-N 0 1 393.487 3.441 20 0 GGADMN CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756066 982453711 /nfs/dbraw/zinc/45/37/11/982453711.db2.gz QOTLWQNHQSTYMU-CZUORRHYSA-N 0 1 397.313 3.203 20 0 GGADMN CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756064 982453786 /nfs/dbraw/zinc/45/37/86/982453786.db2.gz QOTLWQNHQSTYMU-BBRMVZONSA-N 0 1 397.313 3.203 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001595756269 982456921 /nfs/dbraw/zinc/45/69/21/982456921.db2.gz YJGYMEPGZYJEHQ-CVXMMYKXSA-N 0 1 388.508 3.180 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C)c(C(=O)[O-])o3)CC[N@@H+]2C2CC2)c1 ZINC000911504477 982461221 /nfs/dbraw/zinc/46/12/21/982461221.db2.gz GFQGOVGYZLHMHW-WMZOPIPTSA-N 0 1 384.432 3.003 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C)c(C(=O)[O-])o3)CC[N@H+]2C2CC2)c1 ZINC000911504477 982461224 /nfs/dbraw/zinc/46/12/24/982461224.db2.gz GFQGOVGYZLHMHW-WMZOPIPTSA-N 0 1 384.432 3.003 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)c(C(=O)[O-])o3)CC[N@@H+]2C2CC2)c1 ZINC000911504475 982461305 /nfs/dbraw/zinc/46/13/05/982461305.db2.gz GFQGOVGYZLHMHW-FUHWJXTLSA-N 0 1 384.432 3.003 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)c(C(=O)[O-])o3)CC[N@H+]2C2CC2)c1 ZINC000911504475 982461308 /nfs/dbraw/zinc/46/13/08/982461308.db2.gz GFQGOVGYZLHMHW-FUHWJXTLSA-N 0 1 384.432 3.003 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(=O)[O-])s3)CC[N@@H+]2C2CC2)c1 ZINC000911504810 982461374 /nfs/dbraw/zinc/46/13/74/982461374.db2.gz LNRUGIDOHUWDNQ-QAPCUYQASA-N 0 1 386.473 3.163 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(=O)[O-])s3)CC[N@H+]2C2CC2)c1 ZINC000911504810 982461377 /nfs/dbraw/zinc/46/13/77/982461377.db2.gz LNRUGIDOHUWDNQ-QAPCUYQASA-N 0 1 386.473 3.163 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)c(C(=O)[O-])o3)CC[N@@H+]2C2CC2)c1 ZINC000911504474 982461464 /nfs/dbraw/zinc/46/14/64/982461464.db2.gz GFQGOVGYZLHMHW-AEFFLSMTSA-N 0 1 384.432 3.003 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)c(C(=O)[O-])o3)CC[N@H+]2C2CC2)c1 ZINC000911504474 982461467 /nfs/dbraw/zinc/46/14/67/982461467.db2.gz GFQGOVGYZLHMHW-AEFFLSMTSA-N 0 1 384.432 3.003 20 0 GGADMN CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC001595758511 982461776 /nfs/dbraw/zinc/46/17/76/982461776.db2.gz OQWBKKVYASLCAA-KRWDZBQOSA-N 0 1 378.469 3.031 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(CC(=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000911506040 982462295 /nfs/dbraw/zinc/46/22/95/982462295.db2.gz ZCTXUJFIVGUJIY-IFMALSPDSA-N 0 1 394.471 3.030 20 0 GGADMN C[N@H+](CCO)Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC000911511084 982465762 /nfs/dbraw/zinc/46/57/62/982465762.db2.gz DMKOTECXCPPEQO-UHFFFAOYSA-N 0 1 382.888 3.128 20 0 GGADMN C[N@@H+](CCO)Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC000911511084 982465766 /nfs/dbraw/zinc/46/57/66/982465766.db2.gz DMKOTECXCPPEQO-UHFFFAOYSA-N 0 1 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ZINC001595912159 983005696 /nfs/dbraw/zinc/00/56/96/983005696.db2.gz IUJUTMCWELFZLT-MSOLQXFVSA-N 0 1 389.544 3.111 20 0 GGADMN CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595912725 983009893 /nfs/dbraw/zinc/00/98/93/983009893.db2.gz ZPLQYDPXVYOHLS-KRWDZBQOSA-N 0 1 388.512 3.371 20 0 GGADMN Cc1oc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1C(=O)[O-] ZINC001119641250 983010488 /nfs/dbraw/zinc/01/04/88/983010488.db2.gz VBRAIPWIGWNDFI-OAHLLOKOSA-N 0 1 385.464 3.409 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC001119645120 983012949 /nfs/dbraw/zinc/01/29/49/983012949.db2.gz NQNYWKDOUIYJEZ-CWFSZBLJSA-N 0 1 398.507 3.061 20 0 GGADMN CCCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC001595915973 983022092 /nfs/dbraw/zinc/02/20/92/983022092.db2.gz JSBJXTIBKPANSH-UHFFFAOYSA-N 0 1 387.505 3.247 20 0 GGADMN C[C@@]1(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001121899705 983036542 /nfs/dbraw/zinc/03/65/42/983036542.db2.gz FCHGMAZPZDHRQR-KNQAVFIVSA-N 0 1 387.524 3.185 20 0 GGADMN CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC001595966762 983174711 /nfs/dbraw/zinc/17/47/11/983174711.db2.gz RNBJCIGBGGWTSE-NHCUHLMSSA-N 0 1 390.524 3.304 20 0 GGADMN CCCc1c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596032544 983310997 /nfs/dbraw/zinc/31/09/97/983310997.db2.gz ZQQMUPGJAHXKRQ-UHFFFAOYSA-N 0 1 383.492 3.240 20 0 GGADMN CCCc1c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596045199 983331073 /nfs/dbraw/zinc/33/10/73/983331073.db2.gz CLNGMFZMHGFKIL-UHFFFAOYSA-N 0 1 399.491 3.101 20 0 GGADMN CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001596118355 983452529 /nfs/dbraw/zinc/45/25/29/983452529.db2.gz VOBAWLXZGACWQY-AWEZNQCLSA-N 0 1 392.525 3.253 20 0 GGADMN CCN(C(=O)C[N@H+]1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1cccc2ccccc21 ZINC001596139688 983490907 /nfs/dbraw/zinc/49/09/07/983490907.db2.gz CNPISJBZGBCADL-DVMWJLJYSA-N 0 1 396.487 3.288 20 0 GGADMN CCN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596149296 983507331 /nfs/dbraw/zinc/50/73/31/983507331.db2.gz QRQWFRBJEUAIMQ-BTHPGYMESA-N 0 1 387.524 3.497 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC001596150782 983510822 /nfs/dbraw/zinc/51/08/22/983510822.db2.gz OMJMGVSASOMOBB-LLVKDONJSA-N 0 1 384.274 3.014 20 0 GGADMN CCN(C(=O)Nc1cccc(CC(=O)[O-])n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596157692 983518853 /nfs/dbraw/zinc/51/88/53/983518853.db2.gz DGKCMQXRHLXGQR-APWZRJJASA-N 0 1 396.491 3.398 20 0 GGADMN CCN(C(C)=O)c1nc(C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001596177952 983547142 /nfs/dbraw/zinc/54/71/42/983547142.db2.gz KBTJJRCSNFOGOD-MRXNPFEDSA-N 0 1 375.494 3.458 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001596192656 983569620 /nfs/dbraw/zinc/56/96/20/983569620.db2.gz YWCCCIJVJDKQOC-NVXWUHKLSA-N 0 1 387.505 3.240 20 0 GGADMN CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)ccn1 ZINC001596192894 983571124 /nfs/dbraw/zinc/57/11/24/983571124.db2.gz CLWRSUGWWXWBPI-SFHVURJKSA-N 0 1 387.455 3.024 20 0 GGADMN CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)ccn1 ZINC001596192894 983571126 /nfs/dbraw/zinc/57/11/26/983571126.db2.gz CLWRSUGWWXWBPI-SFHVURJKSA-N 0 1 387.455 3.024 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C1 ZINC001596193085 983572993 /nfs/dbraw/zinc/57/29/93/983572993.db2.gz KVVAODAKIJAZIN-LBPRGKRZSA-N 0 1 398.301 3.261 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001596193268 983574209 /nfs/dbraw/zinc/57/42/09/983574209.db2.gz RKUMMJYLSOBPGZ-UHFFFAOYSA-N 0 1 385.464 3.305 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC001596193424 983575653 /nfs/dbraw/zinc/57/56/53/983575653.db2.gz YNZFVOPYPNRYOG-UHFFFAOYSA-N 0 1 396.491 3.108 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001596193400 983576041 /nfs/dbraw/zinc/57/60/41/983576041.db2.gz XTTXHRVMEMLJMR-UHFFFAOYSA-N 0 1 377.391 3.436 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001596209409 983600544 /nfs/dbraw/zinc/60/05/44/983600544.db2.gz JAEVVQBQIMVUTM-UHFFFAOYSA-N 0 1 381.432 3.335 20 0 GGADMN CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596209626 983600951 /nfs/dbraw/zinc/60/09/51/983600951.db2.gz PXGLFWBFYSASDH-UTKZUKDTSA-N 0 1 395.503 3.481 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)[C@@H]1CCCC[C@@H]1C ZINC001596213054 983604638 /nfs/dbraw/zinc/60/46/38/983604638.db2.gz ZJBHBJIWRHVCTM-WCQYABFASA-N 0 1 396.509 3.380 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001596236456 983631119 /nfs/dbraw/zinc/63/11/19/983631119.db2.gz WTIYHWRUAYFNGF-CYBMUJFWSA-N 0 1 390.377 3.147 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC001596236491 983631639 /nfs/dbraw/zinc/63/16/39/983631639.db2.gz XYFOWEFTTQWHIM-OAHLLOKOSA-N 0 1 386.414 3.316 20 0 GGADMN CCN(CC)C(=O)CCC1CC[NH+](Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001596244126 983644146 /nfs/dbraw/zinc/64/41/46/983644146.db2.gz UZGXATYHJQEYML-UHFFFAOYSA-N 0 1 386.496 3.122 20 0 GGADMN CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001596249878 983653172 /nfs/dbraw/zinc/65/31/72/983653172.db2.gz BMDUQAKFGUMCTK-MRXNPFEDSA-N 0 1 391.512 3.356 20 0 GGADMN CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001596250025 983653443 /nfs/dbraw/zinc/65/34/43/983653443.db2.gz JBEQBIAYSPDFLF-WMZOPIPTSA-N 0 1 392.496 3.371 20 0 GGADMN CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001596250022 983653569 /nfs/dbraw/zinc/65/35/69/983653569.db2.gz JBEQBIAYSPDFLF-AEFFLSMTSA-N 0 1 392.496 3.371 20 0 GGADMN CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001596250023 983653689 /nfs/dbraw/zinc/65/36/89/983653689.db2.gz JBEQBIAYSPDFLF-FUHWJXTLSA-N 0 1 392.496 3.371 20 0 GGADMN CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001596250024 983653704 /nfs/dbraw/zinc/65/37/04/983653704.db2.gz JBEQBIAYSPDFLF-SJLPKXTDSA-N 0 1 392.496 3.371 20 0 GGADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccsc1 ZINC001596255611 983665658 /nfs/dbraw/zinc/66/56/58/983665658.db2.gz FSFYLCXZVJJKRY-MRXNPFEDSA-N 0 1 396.534 3.116 20 0 GGADMN CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC001596264096 983681169 /nfs/dbraw/zinc/68/11/69/983681169.db2.gz ZTPDJGATVBBSDO-MRXNPFEDSA-N 0 1 375.513 3.074 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)cc1 ZINC001596281508 983700316 /nfs/dbraw/zinc/70/03/16/983700316.db2.gz GENNHBITLGOQSK-ZDUSSCGKSA-N 0 1 391.493 3.292 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc(C(=O)[O-])c(C)[nH+]2)cc1 ZINC001596281507 983700358 /nfs/dbraw/zinc/70/03/58/983700358.db2.gz GENNHBITLGOQSK-CYBMUJFWSA-N 0 1 391.493 3.292 20 0 GGADMN CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001596292072 983711483 /nfs/dbraw/zinc/71/14/83/983711483.db2.gz CSAAPTJQFYRWAZ-HXUWFJFHSA-N 0 1 379.460 3.244 20 0 GGADMN CC[N@@H+](Cc1cccs1)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001596292256 983712022 /nfs/dbraw/zinc/71/20/22/983712022.db2.gz GCAWLAUBWKYGGA-SFHVURJKSA-N 0 1 385.489 3.305 20 0 GGADMN CCN(CC1CC[NH+](Cc2nc(C(=O)[O-])cs2)CC1)C(=O)OC(C)(C)C ZINC001596299021 983722866 /nfs/dbraw/zinc/72/28/66/983722866.db2.gz YUIOXQVQETYWOS-UHFFFAOYSA-N 0 1 383.514 3.310 20 0 GGADMN CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001596363078 983843404 /nfs/dbraw/zinc/84/34/04/983843404.db2.gz RQVDJDKCHIXQCE-UHFFFAOYSA-N 0 1 399.447 3.321 20 0 GGADMN CC[N@H+](Cc1oc(Br)cc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC001596380609 983902617 /nfs/dbraw/zinc/90/26/17/983902617.db2.gz RDKZHZMNJRLIDU-LLVKDONJSA-N 0 1 396.237 3.402 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C[C@@H]1C ZINC001596396588 983942466 /nfs/dbraw/zinc/94/24/66/983942466.db2.gz VFEHVDJYSHDBHF-NWDGAFQWSA-N 0 1 398.301 3.402 20 0 GGADMN CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001596403346 983963487 /nfs/dbraw/zinc/96/34/87/983963487.db2.gz CHSHUZLFBAZESQ-CQSZACIVSA-N 0 1 384.436 3.035 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@@H]1C ZINC001596404394 983973555 /nfs/dbraw/zinc/97/35/55/983973555.db2.gz VHQUPKURGVWHCK-NHYWBVRUSA-N 0 1 383.286 3.092 20 0 GGADMN CCN(C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC001596407847 983980800 /nfs/dbraw/zinc/98/08/00/983980800.db2.gz JOCMOSJJZNFBGA-CYBMUJFWSA-N 0 1 398.301 3.404 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@H]1CC[N@@H+](CC)C1 ZINC001596408517 983983428 /nfs/dbraw/zinc/98/34/28/983983428.db2.gz NOMRDYNXCAQOIE-LBPRGKRZSA-N 0 1 398.301 3.404 20 0 GGADMN CCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC001596408573 983985640 /nfs/dbraw/zinc/98/56/40/983985640.db2.gz PTAQOAZUCFATHH-GFCCVEGCSA-N 0 1 384.274 3.095 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596418185 984042925 /nfs/dbraw/zinc/04/29/25/984042925.db2.gz LRGWWNWDIJSTIC-GHTZIAJQSA-N 0 1 397.519 3.420 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001596418760 984045727 /nfs/dbraw/zinc/04/57/27/984045727.db2.gz TYKVBHNEENDSOC-IBGZPJMESA-N 0 1 396.487 3.146 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001596418805 984046811 /nfs/dbraw/zinc/04/68/11/984046811.db2.gz VAXOSUVIYFIPPH-YZGWKJHDSA-N 0 1 388.508 3.096 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001596421660 984058410 /nfs/dbraw/zinc/05/84/10/984058410.db2.gz NVENUWNZCBYQLD-FQEVSTJZSA-N 0 1 383.492 3.447 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001596421661 984058518 /nfs/dbraw/zinc/05/85/18/984058518.db2.gz NVENUWNZCBYQLD-HXUWFJFHSA-N 0 1 383.492 3.447 20 0 GGADMN CC[N@H+]1CCCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)[C@H](C)C1 ZINC001596426627 984082510 /nfs/dbraw/zinc/08/25/10/984082510.db2.gz ZDKXBPFZQSMDQP-GFCCVEGCSA-N 0 1 385.302 3.072 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001596551888 984414621 /nfs/dbraw/zinc/41/46/21/984414621.db2.gz KVNDQHIRUAXDSQ-CLNPQZTCSA-N 0 1 375.465 3.074 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001596553159 984420933 /nfs/dbraw/zinc/42/09/33/984420933.db2.gz UGAFBUZBEYZHBB-NRFANRHFSA-N 0 1 390.455 3.427 20 0 GGADMN CCOC(=O)CCC[N@@H+](C(C)C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001596603837 984567018 /nfs/dbraw/zinc/56/70/18/984567018.db2.gz ROYPBAPMWMBTPK-ZDUSSCGKSA-N 0 1 384.498 3.135 20 0 GGADMN CCOC(=O)CC[N@H+](Cc1ccc(C(=O)[O-])c(Br)c1)CC1CC1 ZINC001596610396 984573636 /nfs/dbraw/zinc/57/36/36/984573636.db2.gz OUVTVBAOMRNBEW-UHFFFAOYSA-N 0 1 384.270 3.313 20 0 GGADMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001596615773 984581872 /nfs/dbraw/zinc/58/18/72/984581872.db2.gz DFVUHDPRSPZURJ-QWHCGFSZSA-N 0 1 377.462 3.142 20 0 GGADMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617217 984587889 /nfs/dbraw/zinc/58/78/89/984587889.db2.gz MMQLNUDYWWZQHU-ZBFHGGJFSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)N1CCC(C)(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])CC1 ZINC001596644289 984649918 /nfs/dbraw/zinc/64/99/18/984649918.db2.gz KDJKWBPPEREADT-KRWDZBQOSA-N 0 1 376.497 3.468 20 0 GGADMN CCOC(=O)N1CCC([NH2+]c2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC001596647246 984664197 /nfs/dbraw/zinc/66/41/97/984664197.db2.gz WBLONLOZAUFHHJ-UHFFFAOYSA-N 0 1 375.469 3.408 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001599891468 984699371 /nfs/dbraw/zinc/69/93/71/984699371.db2.gz QCGUIGLAGOREGM-CYBMUJFWSA-N 0 1 390.509 3.147 20 0 GGADMN C/C(=C/C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959408 984723912 /nfs/dbraw/zinc/72/39/12/984723912.db2.gz YJQSTHRIQKMILQ-CGGDQNISSA-N 0 1 380.407 3.042 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C)C[C@H]3C(=O)[O-])cc(=O)oc2c1 ZINC001596667173 984733409 /nfs/dbraw/zinc/73/34/09/984733409.db2.gz SXPLOBAHKMCYJI-LRDDRELGSA-N 0 1 388.420 3.047 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](C)C[C@H]3C(=O)[O-])cc(=O)oc2c1 ZINC001596667177 984733636 /nfs/dbraw/zinc/73/36/36/984733636.db2.gz SXPLOBAHKMCYJI-WBMJQRKESA-N 0 1 388.420 3.047 20 0 GGADMN CCOC(=O)[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC001596683068 984772770 /nfs/dbraw/zinc/77/27/70/984772770.db2.gz FLHRFBVQGRRPAN-JHJVBQTASA-N 0 1 379.762 3.139 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)(C(=O)[O-])CC1 ZINC001599908359 984952240 /nfs/dbraw/zinc/95/22/40/984952240.db2.gz VVKUGGNUNIHLKZ-WRWLIDTKSA-N 0 1 394.462 3.294 20 0 GGADMN C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599918253 985091022 /nfs/dbraw/zinc/09/10/22/985091022.db2.gz JISUJAFQJNZZNN-RTGDBSPZSA-N 0 1 399.535 3.324 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[C@]1(C)C(=O)[O-] ZINC001599918990 985103228 /nfs/dbraw/zinc/10/32/28/985103228.db2.gz RZBFLOUETFUYPZ-KPLVRAHFSA-N 0 1 387.524 3.183 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755778 985130680 /nfs/dbraw/zinc/13/06/80/985130680.db2.gz IDCCXTLDSWSZLG-SWLSCSKDSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755778 985130685 /nfs/dbraw/zinc/13/06/85/985130685.db2.gz IDCCXTLDSWSZLG-SWLSCSKDSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755777 985131246 /nfs/dbraw/zinc/13/12/46/985131246.db2.gz IDCCXTLDSWSZLG-IUODEOHRSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755777 985131248 /nfs/dbraw/zinc/13/12/48/985131248.db2.gz IDCCXTLDSWSZLG-IUODEOHRSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)nc1C ZINC001596756392 985134853 /nfs/dbraw/zinc/13/48/53/985134853.db2.gz SRHDDEGJJGHXNS-CQSZACIVSA-N 0 1 392.452 3.455 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@H+]([C@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756581 985135765 /nfs/dbraw/zinc/13/57/65/985135765.db2.gz WICLGASOCDPZLQ-NEPJUHHUSA-N 0 1 378.450 3.470 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](C[C@H]3CCCC[C@H]3C(=O)[O-])C2)nc1C ZINC001596756652 985137164 /nfs/dbraw/zinc/13/71/64/985137164.db2.gz XTXYNJUDKAVZGM-RBSFLKMASA-N 0 1 380.510 3.309 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@H]3C(=O)[O-])C2)nc1C ZINC001596756653 985137602 /nfs/dbraw/zinc/13/76/02/985137602.db2.gz XTXYNJUDKAVZGM-RRFJBIMHSA-N 0 1 380.510 3.309 20 0 GGADMN CC(=O)N(c1nc(C[NH2+]C2CC(C(=O)[O-])C2)cs1)c1ccc(F)cc1F ZINC001589053735 985148833 /nfs/dbraw/zinc/14/88/33/985148833.db2.gz FIVYLAGVUCPPAY-UHFFFAOYSA-N 0 1 381.404 3.059 20 0 GGADMN CCO[C@@H]1C[C@@]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)(C(=O)[O-])C1(C)C ZINC001596833917 985472803 /nfs/dbraw/zinc/47/28/03/985472803.db2.gz SCQSKIHYISADCZ-IIBYNOLFSA-N 0 1 376.497 3.305 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943935 985490939 /nfs/dbraw/zinc/49/09/39/985490939.db2.gz GJCBIJUZPLTSAU-MEBBXXQBSA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943935 985490943 /nfs/dbraw/zinc/49/09/43/985490943.db2.gz GJCBIJUZPLTSAU-MEBBXXQBSA-N 0 1 376.350 3.267 20 0 GGADMN CCO[C@H]1C[C@@]([NH2+]Cc2nc3ccc(Br)cc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838499 985507150 /nfs/dbraw/zinc/50/71/50/985507150.db2.gz SRGGSISYZZKDOT-SUMWQHHRSA-N 0 1 396.285 3.073 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1C(=O)[O-] ZINC001599944904 985509030 /nfs/dbraw/zinc/50/90/30/985509030.db2.gz LRFMNGVLNYEUGM-CWRNSKLLSA-N 0 1 375.513 3.144 20 0 GGADMN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166508 985514362 /nfs/dbraw/zinc/51/43/62/985514362.db2.gz JTIOZTBDAVOGBW-SJKOYZFVSA-N 0 1 376.844 3.027 20 0 GGADMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166506 985514491 /nfs/dbraw/zinc/51/44/91/985514491.db2.gz JTIOZTBDAVOGBW-SJCJKPOMSA-N 0 1 376.844 3.027 20 0 GGADMN CC(=O)Nc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589166551 985515305 /nfs/dbraw/zinc/51/53/05/985515305.db2.gz KMBVQZVKWDMYOJ-GUYCJALGSA-N 0 1 381.270 3.094 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594479566 985517450 /nfs/dbraw/zinc/51/74/50/985517450.db2.gz LSQQIQKVMAUGPY-SJORKVTESA-N 0 1 397.475 3.277 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC001599946742 985539382 /nfs/dbraw/zinc/53/93/82/985539382.db2.gz GWSLMWXTEANICG-KDOFPFPSSA-N 0 1 394.830 3.425 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c(C)c1C(=O)[O-] ZINC001599947619 985555903 /nfs/dbraw/zinc/55/59/03/985555903.db2.gz QYXRFHVVMHTUJO-KRWDZBQOSA-N 0 1 376.478 3.067 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001594485610 985557633 /nfs/dbraw/zinc/55/76/33/985557633.db2.gz FAAZYDILXOVBAO-LSDHHAIUSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001594485610 985557642 /nfs/dbraw/zinc/55/76/42/985557642.db2.gz FAAZYDILXOVBAO-LSDHHAIUSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3ccccc3cc2OC(F)F)CC[N@H+]1CCC(=O)[O-] ZINC001594489489 985592140 /nfs/dbraw/zinc/59/21/40/985592140.db2.gz PIZLGENYZZWFQW-ZDUSSCGKSA-N 0 1 392.402 3.062 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC[N@@H+]1CCC(=O)[O-] ZINC001594490076 985596657 /nfs/dbraw/zinc/59/66/57/985596657.db2.gz VBSWSFJODZPTGF-CYBMUJFWSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC[N@H+]1CCC(=O)[O-] ZINC001594490076 985596671 /nfs/dbraw/zinc/59/66/71/985596671.db2.gz VBSWSFJODZPTGF-CYBMUJFWSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594493579 985616916 /nfs/dbraw/zinc/61/69/16/985616916.db2.gz DCCDQAICYOAIHL-MSOLQXFVSA-N 0 1 380.488 3.439 20 0 GGADMN Cc1[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1C(=O)[O-] ZINC001599952906 985639354 /nfs/dbraw/zinc/63/93/54/985639354.db2.gz YZLSYLLLMODTFE-AWEZNQCLSA-N 0 1 383.492 3.492 20 0 GGADMN C[C@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)CC[N@@H+]1CCC(=O)[O-] ZINC001594496423 985642936 /nfs/dbraw/zinc/64/29/36/985642936.db2.gz NMQNZNHMRCROPM-JTQLQIEISA-N 0 1 384.860 3.315 20 0 GGADMN C[C@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594496423 985642946 /nfs/dbraw/zinc/64/29/46/985642946.db2.gz NMQNZNHMRCROPM-JTQLQIEISA-N 0 1 384.860 3.315 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3ccccc3Cl)n2)CC[N@@H+]1CCC(=O)[O-] ZINC001594496745 985649292 /nfs/dbraw/zinc/64/92/92/985649292.db2.gz YMNMXDNFACSVQO-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3ccccc3Cl)n2)CC[N@H+]1CCC(=O)[O-] ZINC001594496745 985649298 /nfs/dbraw/zinc/64/92/98/985649298.db2.gz YMNMXDNFACSVQO-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)CC2 ZINC001589205665 985671000 /nfs/dbraw/zinc/67/10/00/985671000.db2.gz KFTNSIVCAANHIJ-WTKPLQERSA-N 0 1 380.444 3.180 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC001599955172 985676450 /nfs/dbraw/zinc/67/64/50/985676450.db2.gz BLOZWZPDRRDBLJ-YOEHRIQHSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC001599955172 985676454 /nfs/dbraw/zinc/67/64/54/985676454.db2.gz BLOZWZPDRRDBLJ-YOEHRIQHSA-N 0 1 375.856 3.158 20 0 GGADMN C[C@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594500854 985681217 /nfs/dbraw/zinc/68/12/17/985681217.db2.gz LAMXAADJEPLRAU-GWCFXTLKSA-N 0 1 384.320 3.400 20 0 GGADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594500854 985681222 /nfs/dbraw/zinc/68/12/22/985681222.db2.gz LAMXAADJEPLRAU-GWCFXTLKSA-N 0 1 384.320 3.400 20 0 GGADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594501077 985684095 /nfs/dbraw/zinc/68/40/95/985684095.db2.gz LAMXAADJEPLRAU-ZWNOBZJWSA-N 0 1 384.320 3.400 20 0 GGADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594501077 985684104 /nfs/dbraw/zinc/68/41/04/985684104.db2.gz LAMXAADJEPLRAU-ZWNOBZJWSA-N 0 1 384.320 3.400 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001599957216 985709934 /nfs/dbraw/zinc/70/99/34/985709934.db2.gz JEJHSCYVUVYLAN-HNNXBMFYSA-N 0 1 395.500 3.075 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001599957216 985709943 /nfs/dbraw/zinc/70/99/43/985709943.db2.gz JEJHSCYVUVYLAN-HNNXBMFYSA-N 0 1 395.500 3.075 20 0 GGADMN CC(=O)Nc1cccc2c1C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)CC2 ZINC001589215721 985710163 /nfs/dbraw/zinc/71/01/63/985710163.db2.gz ITUTTZXELQNDNQ-YFHOEESVSA-N 0 1 380.444 3.180 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001599958459 985730501 /nfs/dbraw/zinc/73/05/01/985730501.db2.gz CJQHUAZFBJCFFB-UHFFFAOYSA-N 0 1 376.403 3.437 20 0 GGADMN C[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)Cc2ccccc21 ZINC001594508617 985753042 /nfs/dbraw/zinc/75/30/42/985753042.db2.gz IQQSCUGHBYXFPY-QVKFZJNVSA-N 0 1 391.471 3.341 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC001599960006 985763196 /nfs/dbraw/zinc/76/31/96/985763196.db2.gz PXIGQTDYAJBQIR-UHFFFAOYSA-N 0 1 380.448 3.035 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@H](C(=O)[O-])CN1C[C@@H]1CCC(F)(F)C1 ZINC001594509152 985769541 /nfs/dbraw/zinc/76/95/41/985769541.db2.gz PHNQPQKYDBPCBJ-TUVASFSCSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@H](C(=O)[O-])C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001594509152 985769546 /nfs/dbraw/zinc/76/95/46/985769546.db2.gz PHNQPQKYDBPCBJ-TUVASFSCSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@H](C(=O)[O-])C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001594509152 985769550 /nfs/dbraw/zinc/76/95/50/985769550.db2.gz PHNQPQKYDBPCBJ-TUVASFSCSA-N 0 1 380.426 3.317 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001599961229 985785637 /nfs/dbraw/zinc/78/56/37/985785637.db2.gz YDJNJLFXMFOBJY-OAQYLSRUSA-N 0 1 392.455 3.440 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC001599961229 985785641 /nfs/dbraw/zinc/78/56/41/985785641.db2.gz YDJNJLFXMFOBJY-OAQYLSRUSA-N 0 1 392.455 3.440 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001599961319 985786720 /nfs/dbraw/zinc/78/67/20/985786720.db2.gz YJPAOOZBTIFEGD-QHCPKHFHSA-N 0 1 395.503 3.192 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C(=O)[O-] ZINC001599961754 985795630 /nfs/dbraw/zinc/79/56/30/985795630.db2.gz ATDRJWNKFYYNKQ-HNNXBMFYSA-N 0 1 399.495 3.253 20 0 GGADMN Cc1[nH]c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)cc1C(=O)[O-] ZINC001599961838 985796970 /nfs/dbraw/zinc/79/69/70/985796970.db2.gz JQJJJPCVSGZDLP-IPYPFGDCSA-N 0 1 379.501 3.393 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001594513762 985807007 /nfs/dbraw/zinc/80/70/07/985807007.db2.gz PEHBOXHRAAGGAY-HNNXBMFYSA-N 0 1 378.900 3.159 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599962779 985823702 /nfs/dbraw/zinc/82/37/02/985823702.db2.gz KWFZZUBIZHSRDD-WMLDXEAASA-N 0 1 377.485 3.244 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599962779 985823717 /nfs/dbraw/zinc/82/37/17/985823717.db2.gz KWFZZUBIZHSRDD-WMLDXEAASA-N 0 1 377.485 3.244 20 0 GGADMN CC(=O)c1[nH]c(CC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(C(=O)[O-])c1C ZINC001589244236 985843711 /nfs/dbraw/zinc/84/37/11/985843711.db2.gz KHMBWVPDCPWGAR-UHFFFAOYSA-N 0 1 394.431 3.019 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC001594514811 985853835 /nfs/dbraw/zinc/85/38/35/985853835.db2.gz CIKZYIMVVBLISN-OAHLLOKOSA-N 0 1 395.931 3.099 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1C ZINC001589249243 985868320 /nfs/dbraw/zinc/86/83/20/985868320.db2.gz OOAYZGVTHMHRBM-ZTFGCOKTSA-N 0 1 382.460 3.206 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC1CCC(c2ccccc2)CC1 ZINC001594515321 985871082 /nfs/dbraw/zinc/87/10/82/985871082.db2.gz HDPVNRAJNJOQQM-ZJRDLVKKSA-N 0 1 387.524 3.151 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001594515621 985881736 /nfs/dbraw/zinc/88/17/36/985881736.db2.gz IYYHOOXSGBCNAS-QAPCUYQASA-N 0 1 393.503 3.493 20 0 GGADMN CCOCCC[N@@H+](Cc1nc2ccccn2c1Br)C[C@H](C)C(=O)[O-] ZINC001596914585 985928264 /nfs/dbraw/zinc/92/82/64/985928264.db2.gz BPPBHCBTHFFGDD-ZDUSSCGKSA-N 0 1 398.301 3.046 20 0 GGADMN CCOCCC[N@H+](Cc1nc2ccccn2c1Br)C[C@H](C)C(=O)[O-] ZINC001596914585 985928274 /nfs/dbraw/zinc/92/82/74/985928274.db2.gz BPPBHCBTHFFGDD-ZDUSSCGKSA-N 0 1 398.301 3.046 20 0 GGADMN CCOCCC[N@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)C[C@H](C)C(=O)[O-] ZINC001596914670 985931059 /nfs/dbraw/zinc/93/10/59/985931059.db2.gz FKYAHDWXACVLKW-ZDUSSCGKSA-N 0 1 391.434 3.188 20 0 GGADMN CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])c3cccnc23)[C@@H](C)C1 ZINC001596917303 985958339 /nfs/dbraw/zinc/95/83/39/985958339.db2.gz VFUKBBXNECIQLF-OXJNMPFZSA-N 0 1 385.508 3.160 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccccc1Oc1ccccc1 ZINC001594519517 985959768 /nfs/dbraw/zinc/95/97/68/985959768.db2.gz YAFPDSFZIVFBCJ-KRWDZBQOSA-N 0 1 397.475 3.169 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001594520180 985971163 /nfs/dbraw/zinc/97/11/63/985971163.db2.gz MJUKNOZEWNIBLV-CQSZACIVSA-N 0 1 394.899 3.282 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001594520486 985979869 /nfs/dbraw/zinc/97/98/69/985979869.db2.gz UHVWAQCUXVLYTP-OAHLLOKOSA-N 0 1 383.492 3.058 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC001599970280 985994899 /nfs/dbraw/zinc/99/48/99/985994899.db2.gz PFOPLKOGRBHISU-AWEZNQCLSA-N 0 1 396.260 3.456 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC001599970280 985994909 /nfs/dbraw/zinc/99/49/09/985994909.db2.gz PFOPLKOGRBHISU-AWEZNQCLSA-N 0 1 396.260 3.456 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC001594522742 986015667 /nfs/dbraw/zinc/01/56/67/986015667.db2.gz WBGAOMIONPTUFS-SNVBAGLBSA-N 0 1 384.860 3.315 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC001594522742 986015676 /nfs/dbraw/zinc/01/56/76/986015676.db2.gz WBGAOMIONPTUFS-SNVBAGLBSA-N 0 1 384.860 3.315 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cccc(Br)c1Cl ZINC001594524688 986023719 /nfs/dbraw/zinc/02/37/19/986023719.db2.gz CDPOSKBOOQFHFE-LLVKDONJSA-N 0 1 375.694 3.083 20 0 GGADMN CCOCN(C(=O)C[N@H+](CC(=O)[O-])C1CCCC1)c1c(C)cccc1CC ZINC001596945604 986086219 /nfs/dbraw/zinc/08/62/19/986086219.db2.gz LCTKKDHSODXCIG-UHFFFAOYSA-N 0 1 376.497 3.214 20 0 GGADMN CCOCN(C(=O)C[N@@H+](CC(=O)[O-])C1CCCC1)c1c(C)cccc1CC ZINC001596945604 986086227 /nfs/dbraw/zinc/08/62/27/986086227.db2.gz LCTKKDHSODXCIG-UHFFFAOYSA-N 0 1 376.497 3.214 20 0 GGADMN CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589316574 986112341 /nfs/dbraw/zinc/11/23/41/986112341.db2.gz TWWINPHHQNDGLM-VQTJNVASSA-N 0 1 394.471 3.408 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589318038 986115873 /nfs/dbraw/zinc/11/58/73/986115873.db2.gz FMKZENRPPYWDCE-NIKGAXFTSA-N 0 1 380.444 3.016 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589318038 986115877 /nfs/dbraw/zinc/11/58/77/986115877.db2.gz FMKZENRPPYWDCE-NIKGAXFTSA-N 0 1 380.444 3.016 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001594532164 986130406 /nfs/dbraw/zinc/13/04/06/986130406.db2.gz VACDINYAYDKJTB-OZERPLIVSA-N 0 1 389.492 3.463 20 0 GGADMN C[C@H]1CN(Cc2c(Br)cccc2C(=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001594536120 986150888 /nfs/dbraw/zinc/15/08/88/986150888.db2.gz PGINRIUJPAVJMW-ZDUSSCGKSA-N 0 1 381.314 3.454 20 0 GGADMN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589324159 986154750 /nfs/dbraw/zinc/15/47/50/986154750.db2.gz WMKHQFPWVRUXRM-LSWYUMSHSA-N 0 1 384.432 3.292 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC001594538260 986165094 /nfs/dbraw/zinc/16/50/94/986165094.db2.gz KJZIZNHUKJOTCU-VVWQDTPRSA-N 0 1 375.465 3.096 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594542069 986177626 /nfs/dbraw/zinc/17/76/26/986177626.db2.gz CDDWKGHQOQAXJR-WMZOPIPTSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542253 986180781 /nfs/dbraw/zinc/18/07/81/986180781.db2.gz IBHCWZXCFMRAKI-OXQOHEQNSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542252 986180893 /nfs/dbraw/zinc/18/08/93/986180893.db2.gz IBHCWZXCFMRAKI-OXJNMPFZSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001594542422 986184816 /nfs/dbraw/zinc/18/48/16/986184816.db2.gz MVZPAJFUADLSQF-ICYGMRKDSA-N 0 1 399.535 3.182 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001594542459 986185448 /nfs/dbraw/zinc/18/54/48/986185448.db2.gz NXCDLFQBZAQYIH-WMZOPIPTSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542713 986188467 /nfs/dbraw/zinc/18/84/67/986188467.db2.gz RYYBGXCFXJWEGY-OXQOHEQNSA-N 0 1 381.476 3.047 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594543083 986192635 /nfs/dbraw/zinc/19/26/35/986192635.db2.gz YCOWFFAQGJDIIZ-DNVCBOLYSA-N 0 1 399.466 3.091 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543205 986194749 /nfs/dbraw/zinc/19/47/49/986194749.db2.gz ZJBGEWUTUIHQHN-DNVCBOLYSA-N 0 1 396.491 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594544495 986199253 /nfs/dbraw/zinc/19/92/53/986199253.db2.gz IHWBKMVDXBLUDR-HNNXBMFYSA-N 0 1 387.505 3.110 20 0 GGADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C(=O)[O-])cc1F ZINC001596974557 986204976 /nfs/dbraw/zinc/20/49/76/986204976.db2.gz MGEBKMIQTXAMKW-TZIWHRDSSA-N 0 1 386.467 3.151 20 0 GGADMN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1F ZINC001596974557 986204987 /nfs/dbraw/zinc/20/49/87/986204987.db2.gz MGEBKMIQTXAMKW-TZIWHRDSSA-N 0 1 386.467 3.151 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001594545371 986208718 /nfs/dbraw/zinc/20/87/18/986208718.db2.gz QXIZOXKRGHEKJL-UTKZUKDTSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3)C2)O1 ZINC001594545464 986210274 /nfs/dbraw/zinc/21/02/74/986210274.db2.gz RYVDOUQQAUTYJJ-JMUQELJHSA-N 0 1 380.488 3.178 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CCN1C(=O)OC(C)(C)C ZINC001594548726 986240850 /nfs/dbraw/zinc/24/08/50/986240850.db2.gz XIYJNPFNIKGFEB-AWEZNQCLSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CCN1C(=O)OC(C)(C)C ZINC001594548726 986240863 /nfs/dbraw/zinc/24/08/63/986240863.db2.gz XIYJNPFNIKGFEB-AWEZNQCLSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001589350747 986310914 /nfs/dbraw/zinc/31/09/14/986310914.db2.gz UCPZRRZIJYHERF-GUYCJALGSA-N 0 1 396.940 3.218 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001589351043 986315521 /nfs/dbraw/zinc/31/55/21/986315521.db2.gz WCAPUQIEQMYTKZ-AWEZNQCLSA-N 0 1 392.446 3.156 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001589353357 986328844 /nfs/dbraw/zinc/32/88/44/986328844.db2.gz WXRHOUKZBIWFOL-KRWDZBQOSA-N 0 1 392.499 3.423 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001589353358 986329066 /nfs/dbraw/zinc/32/90/66/986329066.db2.gz WXRHOUKZBIWFOL-QGZVFWFLSA-N 0 1 392.499 3.423 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001594568606 986372184 /nfs/dbraw/zinc/37/21/84/986372184.db2.gz JWOLBNUBLQGRBM-XOKHGSTOSA-N 0 1 386.414 3.395 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001594568606 986372193 /nfs/dbraw/zinc/37/21/93/986372193.db2.gz JWOLBNUBLQGRBM-XOKHGSTOSA-N 0 1 386.414 3.395 20 0 GGADMN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1Cc1oncc1C(=O)[O-] ZINC001594569796 986383920 /nfs/dbraw/zinc/38/39/20/986383920.db2.gz QWYZVECCMRJYJO-VXGBXAGGSA-N 0 1 383.370 3.491 20 0 GGADMN C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589364818 986388069 /nfs/dbraw/zinc/38/80/69/986388069.db2.gz MNXUQLZVJLCOTG-AWEZNQCLSA-N 0 1 382.485 3.270 20 0 GGADMN C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589364818 986388081 /nfs/dbraw/zinc/38/80/81/986388081.db2.gz MNXUQLZVJLCOTG-AWEZNQCLSA-N 0 1 382.485 3.270 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001597017083 986390309 /nfs/dbraw/zinc/39/03/09/986390309.db2.gz SRQUHDJPJYDHIJ-AWEZNQCLSA-N 0 1 375.469 3.122 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001597017238 986392738 /nfs/dbraw/zinc/39/27/38/986392738.db2.gz WFVPHYYWRMSMOJ-GOSISDBHSA-N 0 1 383.448 3.304 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001597017238 986392746 /nfs/dbraw/zinc/39/27/46/986392746.db2.gz WFVPHYYWRMSMOJ-GOSISDBHSA-N 0 1 383.448 3.304 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001594570415 986393091 /nfs/dbraw/zinc/39/30/91/986393091.db2.gz SDSJHOUBNXBKMP-VGSWGCGISA-N 0 1 396.487 3.263 20 0 GGADMN CC(C)N(C(=O)C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)C1CCCC1 ZINC001594570998 986401037 /nfs/dbraw/zinc/40/10/37/986401037.db2.gz WQTWFBQPLOHWFF-QGZVFWFLSA-N 0 1 387.524 3.075 20 0 GGADMN CC(C)N(C(=O)C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)C1CCCC1 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C[C@@H]1c2ccsc2CC[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594670848 986980607 /nfs/dbraw/zinc/98/06/07/986980607.db2.gz HZJGAPFHUDQSRH-YJYMSZOUSA-N 0 1 397.500 3.402 20 0 GGADMN C[C@@H]1c2ccsc2CC[N@@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594670848 986980615 /nfs/dbraw/zinc/98/06/15/986980615.db2.gz HZJGAPFHUDQSRH-YJYMSZOUSA-N 0 1 397.500 3.402 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CCC1 ZINC001589478621 986997480 /nfs/dbraw/zinc/99/74/80/986997480.db2.gz HEJCNOTZROSENQ-AWEZNQCLSA-N 0 1 382.464 3.016 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CCC1 ZINC001589478621 986997488 /nfs/dbraw/zinc/99/74/88/986997488.db2.gz HEJCNOTZROSENQ-AWEZNQCLSA-N 0 1 382.464 3.016 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CCC1 ZINC001589478622 986997526 /nfs/dbraw/zinc/99/75/26/986997526.db2.gz HEJCNOTZROSENQ-CQSZACIVSA-N 0 1 382.464 3.016 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1CCC1 ZINC001589478622 986997536 /nfs/dbraw/zinc/99/75/36/986997536.db2.gz HEJCNOTZROSENQ-CQSZACIVSA-N 0 1 382.464 3.016 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001589486599 987032692 /nfs/dbraw/zinc/03/26/92/987032692.db2.gz QIOBLEAUOCRPMA-WFASDCNBSA-N 0 1 388.327 3.499 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597179317 987034709 /nfs/dbraw/zinc/03/47/09/987034709.db2.gz JPUKYSDQOKSQQA-ZDUSSCGKSA-N 0 1 389.477 3.058 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001597179994 987042171 /nfs/dbraw/zinc/04/21/71/987042171.db2.gz WNGCPZBWVUCLCN-QZTJIDSGSA-N 0 1 382.460 3.214 20 0 GGADMN CCOc1cncc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c1 ZINC001597188784 987062760 /nfs/dbraw/zinc/06/27/60/987062760.db2.gz CKNYTWFZZGRHAI-UHFFFAOYSA-N 0 1 379.254 3.330 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001589510768 987136557 /nfs/dbraw/zinc/13/65/57/987136557.db2.gz VZHDSGJOGFMIPW-FFZOFVMBSA-N 0 1 393.487 3.470 20 0 GGADMN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594725096 987226569 /nfs/dbraw/zinc/22/65/69/987226569.db2.gz KZFDFCNXUXRMOY-REWPJTCUSA-N 0 1 380.488 3.465 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001594735914 987272228 /nfs/dbraw/zinc/27/22/28/987272228.db2.gz QTWNPMPSHKYTRH-ZCNNSNEGSA-N 0 1 382.460 3.218 20 0 GGADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554096 987297539 /nfs/dbraw/zinc/29/75/39/987297539.db2.gz WLRACTVQPQZPFO-RYUDHWBXSA-N 0 1 384.461 3.168 20 0 GGADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554096 987297547 /nfs/dbraw/zinc/29/75/47/987297547.db2.gz WLRACTVQPQZPFO-RYUDHWBXSA-N 0 1 384.461 3.168 20 0 GGADMN C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554097 987297755 /nfs/dbraw/zinc/29/77/55/987297755.db2.gz WLRACTVQPQZPFO-VXGBXAGGSA-N 0 1 384.461 3.168 20 0 GGADMN C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554097 987297761 /nfs/dbraw/zinc/29/77/61/987297761.db2.gz WLRACTVQPQZPFO-VXGBXAGGSA-N 0 1 384.461 3.168 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC001589595517 987414468 /nfs/dbraw/zinc/41/44/68/987414468.db2.gz WNKORPPCTUEGEA-HKUYNNGSSA-N 0 1 387.524 3.260 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001589610844 987459566 /nfs/dbraw/zinc/45/95/66/987459566.db2.gz WCKKEXHMKOBXKK-AEFFLSMTSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001589611962 987470450 /nfs/dbraw/zinc/47/04/50/987470450.db2.gz LBMBEJTVMFVYGP-MAUKXSAKSA-N 0 1 394.462 3.279 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC001589616163 987475489 /nfs/dbraw/zinc/47/54/89/987475489.db2.gz KCYXHHXKTWBURH-CYBMUJFWSA-N 0 1 395.297 3.185 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1C(=O)[O-] ZINC001597384482 987587727 /nfs/dbraw/zinc/58/77/27/987587727.db2.gz KYIJGYGDFLCODW-GFCCVEGCSA-N 0 1 390.871 3.174 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1C(=O)[O-] ZINC001597384485 987588212 /nfs/dbraw/zinc/58/82/12/987588212.db2.gz KYIJGYGDFLCODW-LBPRGKRZSA-N 0 1 390.871 3.174 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597385031 987593371 /nfs/dbraw/zinc/59/33/71/987593371.db2.gz PQHWUNROBHHRQH-AWEZNQCLSA-N 0 1 379.501 3.402 20 0 GGADMN CCc1[nH]c(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc1C(=O)[O-] ZINC001597385237 987594245 /nfs/dbraw/zinc/59/42/45/987594245.db2.gz QVUJFMHOILRWRV-UHFFFAOYSA-N 0 1 375.494 3.040 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001589690912 987756008 /nfs/dbraw/zinc/75/60/08/987756008.db2.gz KEUGZIDJPYVMOC-YFWYWMRJSA-N 0 1 388.508 3.038 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001597452683 987850358 /nfs/dbraw/zinc/85/03/58/987850358.db2.gz HKMVVSIACCWWJF-DAYGRLMNSA-N 0 1 389.496 3.053 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001597452683 987850363 /nfs/dbraw/zinc/85/03/63/987850363.db2.gz HKMVVSIACCWWJF-DAYGRLMNSA-N 0 1 389.496 3.053 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001597452686 987850524 /nfs/dbraw/zinc/85/05/24/987850524.db2.gz HKMVVSIACCWWJF-RLFYNMQTSA-N 0 1 389.496 3.053 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001597457855 987877520 /nfs/dbraw/zinc/87/75/20/987877520.db2.gz ZMKNTVFZQKGHKH-UHFFFAOYSA-N 0 1 387.505 3.401 20 0 GGADMN CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001589731600 987948176 /nfs/dbraw/zinc/94/81/76/987948176.db2.gz DZVOFTHECCGATN-SOUVJXGZSA-N 0 1 378.538 3.061 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@H+]3C[C@@H](OC)C[C@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489576 988011903 /nfs/dbraw/zinc/01/19/03/988011903.db2.gz LXUUJLSXYIYYIU-ORAYPTAESA-N 0 1 379.840 3.073 20 0 GGADMN CCc1ccc(-c2nnc(N3CC[C@H](C(=O)[O-])C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001597492281 988025989 /nfs/dbraw/zinc/02/59/89/988025989.db2.gz RBGYZDRATUVCBC-IBGZPJMESA-N 0 1 399.539 3.149 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745897 988044505 /nfs/dbraw/zinc/04/45/05/988044505.db2.gz VSDVZMKZHHEQPB-DLBZAZTESA-N 0 1 396.528 3.311 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745897 988044515 /nfs/dbraw/zinc/04/45/15/988044515.db2.gz VSDVZMKZHHEQPB-DLBZAZTESA-N 0 1 396.528 3.311 20 0 GGADMN CSCC[C@@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1nnc2ccccn21 ZINC001599794989 988082259 /nfs/dbraw/zinc/08/22/59/988082259.db2.gz TZWJSQAMDXTCSB-MRXNPFEDSA-N 0 1 399.520 3.149 20 0 GGADMN CCc1ccc([C@H]2CN(C(=O)c3[nH]c4ccccc4c3CC(=O)[O-])CC[NH2+]2)cc1 ZINC001597520006 988145160 /nfs/dbraw/zinc/14/51/60/988145160.db2.gz JXDYNQRLZIAGLH-HXUWFJFHSA-N 0 1 391.471 3.144 20 0 GGADMN CC(C)(C)C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccccc1 ZINC001589780080 988146872 /nfs/dbraw/zinc/14/68/72/988146872.db2.gz JBHVYDXHBLXAIG-PDGQHHTCSA-N 0 1 376.522 3.426 20 0 GGADMN CC(C)(C)CN1CCC[C@@H]([N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)C1=O ZINC001589781158 988159720 /nfs/dbraw/zinc/15/97/20/988159720.db2.gz YASSKZPIRVOBIW-UONOGXRCSA-N 0 1 379.526 3.058 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OCC(=O)[O-])c3)CC2)cc1 ZINC001597526041 988168626 /nfs/dbraw/zinc/16/86/26/988168626.db2.gz HIVFFJUDLJQMIL-UHFFFAOYSA-N 0 1 397.475 3.062 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C)c(C(=O)[O-])cn3)CC2)cc1 ZINC001597526038 988168777 /nfs/dbraw/zinc/16/87/77/988168777.db2.gz HIOJXXQGROYUNX-UHFFFAOYSA-N 0 1 382.464 3.000 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(CC(=O)[O-])c(F)c3)CC2)cc1 ZINC001597526156 988169793 /nfs/dbraw/zinc/16/97/93/988169793.db2.gz PXCIHAGAWZROLH-UHFFFAOYSA-N 0 1 399.466 3.365 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001589796260 988194097 /nfs/dbraw/zinc/19/40/97/988194097.db2.gz ORVQFMUFWUMORU-IEZWGBDMSA-N 0 1 376.472 3.138 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC001589806123 988227475 /nfs/dbraw/zinc/22/74/75/988227475.db2.gz LQMMCYVCUICFHK-NRFANRHFSA-N 0 1 388.439 3.454 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001589806185 988227810 /nfs/dbraw/zinc/22/78/10/988227810.db2.gz LZJXPYJNTBGTIM-MRXNPFEDSA-N 0 1 388.512 3.369 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806787 988234214 /nfs/dbraw/zinc/23/42/14/988234214.db2.gz UOWQXSYGYNQPBL-IIBYNOLFSA-N 0 1 376.472 3.133 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Oc2ccc(Br)cc2C(=O)[O-])C1 ZINC001589806844 988234720 /nfs/dbraw/zinc/23/47/20/988234720.db2.gz VCVDBLMCYCVWIV-INIZCTEOSA-N 0 1 388.233 3.265 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Oc2ccc(Br)cc2C(=O)[O-])C1 ZINC001589806846 988235039 /nfs/dbraw/zinc/23/50/39/988235039.db2.gz VCVDBLMCYCVWIV-MRXNPFEDSA-N 0 1 388.233 3.265 20 0 GGADMN CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001597543265 988240293 /nfs/dbraw/zinc/24/02/93/988240293.db2.gz YYPNYNOYKXVOBK-PNHOKKKMSA-N 0 1 382.460 3.082 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001589816557 988261726 /nfs/dbraw/zinc/26/17/26/988261726.db2.gz YFRLRPRLLXPSMU-SNVBAGLBSA-N 0 1 384.274 3.142 20 0 GGADMN CCc1ccc2c(C[N@@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)cc(=O)oc2c1 ZINC001597563625 988317679 /nfs/dbraw/zinc/31/76/79/988317679.db2.gz QFVPLAQLECGTDN-UONOGXRCSA-N 0 1 383.366 3.440 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001599812598 988363341 /nfs/dbraw/zinc/36/33/41/988363341.db2.gz HYUHOMGVDCBBIQ-INIZCTEOSA-N 0 1 378.538 3.190 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)[O-])o2)C1 ZINC001589860488 988431247 /nfs/dbraw/zinc/43/12/47/988431247.db2.gz UNWZVAXZLGTSDA-CVEARBPZSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC12CC(C(=O)[O-])C2 ZINC001589865427 988455895 /nfs/dbraw/zinc/45/58/95/988455895.db2.gz AGRLZQVCRYDETH-WZHMAMEKSA-N 0 1 381.513 3.089 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC12CC(C(=O)[O-])C2 ZINC001589865424 988456135 /nfs/dbraw/zinc/45/61/35/988456135.db2.gz AGRLZQVCRYDETH-AQZMIJIOSA-N 0 1 381.513 3.089 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC12CC(C(=O)[O-])C2 ZINC001589865426 988456279 /nfs/dbraw/zinc/45/62/79/988456279.db2.gz AGRLZQVCRYDETH-KXSVDRQTSA-N 0 1 381.513 3.089 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cccc(O)c2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865487 988457333 /nfs/dbraw/zinc/45/73/33/988457333.db2.gz CCHZBRZQMRVLNM-LQZXRHCMSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC12CC(C(=O)[O-])C2 ZINC001589865477 988457370 /nfs/dbraw/zinc/45/73/70/988457370.db2.gz BRCJTBJNIVQMDO-KPRXVCGWSA-N 0 1 385.504 3.430 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2CF)CC12CC(C(=O)[O-])C2 ZINC001589865484 988457841 /nfs/dbraw/zinc/45/78/41/988457841.db2.gz BZCMCTYAGVXAHB-BATSVXPKSA-N 0 1 377.456 3.411 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2scnc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865909 988462256 /nfs/dbraw/zinc/46/22/56/988462256.db2.gz HQJJKPUXBFHXNX-VVHFOWEKSA-N 0 1 386.901 3.051 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2scnc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865909 988462259 /nfs/dbraw/zinc/46/22/59/988462259.db2.gz HQJJKPUXBFHXNX-VVHFOWEKSA-N 0 1 386.901 3.051 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589865792 988462447 /nfs/dbraw/zinc/46/24/47/988462447.db2.gz HENICQJYNJDMCL-DMAKZNTKSA-N 0 1 381.419 3.219 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CC12CC(C(=O)[O-])C2 ZINC001589866412 988471262 /nfs/dbraw/zinc/47/12/62/988471262.db2.gz NMRSTJNFDNGYLN-IIFATDLDSA-N 0 1 381.513 3.087 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867183 988482962 /nfs/dbraw/zinc/48/29/62/988482962.db2.gz UHKDEWRXFKKNHS-BUPYXQNNSA-N 0 1 389.467 3.436 20 0 GGADMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589871424 988493067 /nfs/dbraw/zinc/49/30/67/988493067.db2.gz AUDFLJWPSFIOMI-KRWDZBQOSA-N 0 1 390.480 3.300 20 0 GGADMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589871424 988493071 /nfs/dbraw/zinc/49/30/71/988493071.db2.gz AUDFLJWPSFIOMI-KRWDZBQOSA-N 0 1 390.480 3.300 20 0 GGADMN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])CCn1ccc2cc(Cl)ccc21 ZINC001589883595 988561813 /nfs/dbraw/zinc/56/18/13/988561813.db2.gz PWYADLFLOPVKLL-UHFFFAOYSA-N 0 1 380.872 3.413 20 0 GGADMN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])CCn1ccc2cc(Cl)ccc21 ZINC001589883595 988561823 /nfs/dbraw/zinc/56/18/23/988561823.db2.gz PWYADLFLOPVKLL-UHFFFAOYSA-N 0 1 380.872 3.413 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599824981 988583121 /nfs/dbraw/zinc/58/31/21/988583121.db2.gz AUOVNDKXDGZMOI-HNNXBMFYSA-N 0 1 376.400 3.076 20 0 GGADMN CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C(=O)[O-])n1C)C(C)C ZINC001599825093 988584768 /nfs/dbraw/zinc/58/47/68/988584768.db2.gz HGUNFDAXDGGASH-MRXNPFEDSA-N 0 1 392.521 3.096 20 0 GGADMN CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C(=O)[O-])o1)C(C)C ZINC001599825102 988585829 /nfs/dbraw/zinc/58/58/29/988585829.db2.gz HMFJOBRMTQVKSF-AWEZNQCLSA-N 0 1 379.478 3.350 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589929492 988685948 /nfs/dbraw/zinc/68/59/48/988685948.db2.gz CYHHFMOCNGRAIB-HOCLYGCPSA-N 0 1 396.434 3.315 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cccc(F)c1Cl)C[C@H]2C(=O)[O-] ZINC001589954730 988756597 /nfs/dbraw/zinc/75/65/97/988756597.db2.gz JRDYKVUHWLHKCI-ZDUSSCGKSA-N 0 1 398.862 3.233 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cccc(F)c1Cl)C[C@H]2C(=O)[O-] ZINC001589954730 988756603 /nfs/dbraw/zinc/75/66/03/988756603.db2.gz JRDYKVUHWLHKCI-ZDUSSCGKSA-N 0 1 398.862 3.233 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(C(=O)[O-])s2)C1 ZINC001589971777 988802503 /nfs/dbraw/zinc/80/25/03/988802503.db2.gz FCINZOQRMUVZGJ-UONOGXRCSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](Cc3nc(C(=O)[O-])cs3)CC2)C1 ZINC001589972054 988808769 /nfs/dbraw/zinc/80/87/69/988808769.db2.gz PKOJGGDNKZZLQY-CQSZACIVSA-N 0 1 395.525 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(C(=O)[O-])cs2)C1 ZINC001589972287 988813661 /nfs/dbraw/zinc/81/36/61/988813661.db2.gz ZHBBKPQFJPOPHY-HIFRSBDPSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)CC2(C(=O)[O-])CC2)CC1 ZINC001589981536 988853117 /nfs/dbraw/zinc/85/31/17/988853117.db2.gz CNEOWZXBJRDTBR-UHFFFAOYSA-N 0 1 389.496 3.148 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](Cc3ncc(C(=O)[O-])s3)C2)CC1 ZINC001590003296 988930613 /nfs/dbraw/zinc/93/06/13/988930613.db2.gz JYCCPBJOXIHXKQ-UHFFFAOYSA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3F)CC[C@H]21 ZINC001590003591 988933495 /nfs/dbraw/zinc/93/34/95/988933495.db2.gz FPELWIJMCARUQD-DOTOQJQBSA-N 0 1 378.444 3.355 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004179 988940304 /nfs/dbraw/zinc/94/03/04/988940304.db2.gz ITHKZEFMGYZWPO-IRXDYDNUSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004179 988940316 /nfs/dbraw/zinc/94/03/16/988940316.db2.gz ITHKZEFMGYZWPO-IRXDYDNUSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005283 988951464 /nfs/dbraw/zinc/95/14/64/988951464.db2.gz PJSSWAFXZXPMBA-NVXWUHKLSA-N 0 1 375.469 3.001 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013701 988977328 /nfs/dbraw/zinc/97/73/28/988977328.db2.gz WRMQEXLDUPANBL-YOEHRIQHSA-N 0 1 393.484 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018826 989005684 /nfs/dbraw/zinc/00/56/84/989005684.db2.gz PUXZABUUSNXGDY-CVEARBPZSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018826 989005692 /nfs/dbraw/zinc/00/56/92/989005692.db2.gz PUXZABUUSNXGDY-CVEARBPZSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018829 989005757 /nfs/dbraw/zinc/00/57/57/989005757.db2.gz PUXZABUUSNXGDY-HOTGVXAUSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018829 989005764 /nfs/dbraw/zinc/00/57/64/989005764.db2.gz PUXZABUUSNXGDY-HOTGVXAUSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001590026059 989021401 /nfs/dbraw/zinc/02/14/01/989021401.db2.gz NRGBEOMYOSYCOM-GOSISDBHSA-N 0 1 381.498 3.064 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001590026059 989021409 /nfs/dbraw/zinc/02/14/09/989021409.db2.gz NRGBEOMYOSYCOM-GOSISDBHSA-N 0 1 381.498 3.064 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001590026060 989021568 /nfs/dbraw/zinc/02/15/68/989021568.db2.gz NRGBEOMYOSYCOM-SFHVURJKSA-N 0 1 381.498 3.064 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001590026060 989021576 /nfs/dbraw/zinc/02/15/76/989021576.db2.gz NRGBEOMYOSYCOM-SFHVURJKSA-N 0 1 381.498 3.064 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(/C=C\C(=O)[O-])o3)C2)C1 ZINC001590026442 989028816 /nfs/dbraw/zinc/02/88/16/989028816.db2.gz YMZMFRCWENZKRG-FPLPWBNLSA-N 0 1 376.453 3.210 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)[C@@H](C(=O)[O-])C1 ZINC001590034316 989044131 /nfs/dbraw/zinc/04/41/31/989044131.db2.gz DESHYXPJAYVLBI-UKINESCASA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)[C@@H](C(=O)[O-])C1 ZINC001590034976 989054577 /nfs/dbraw/zinc/05/45/77/989054577.db2.gz NWZPPCJECAMSGT-IAGOWNOFSA-N 0 1 396.528 3.122 20 0 GGADMN CCc1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001597733975 989060888 /nfs/dbraw/zinc/06/08/88/989060888.db2.gz NZJWZWUTIPQQOJ-LJQANCHMSA-N 0 1 399.539 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590042003 989070303 /nfs/dbraw/zinc/07/03/03/989070303.db2.gz DAXATGDEEPXMOY-CHWSQXEVSA-N 0 1 381.498 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1CCCc2cc(C[NH2+]Cc3cc(C(=O)[O-])no3)ccc21 ZINC001590050157 989076916 /nfs/dbraw/zinc/07/69/16/989076916.db2.gz CQBULCGNMPSYJC-UHFFFAOYSA-N 0 1 387.436 3.350 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C4(C(=O)[O-])CC4)cc3)[C@@H]2C1 ZINC001590074826 989167884 /nfs/dbraw/zinc/16/78/84/989167884.db2.gz RNMFXXRDRJYXHJ-SJLPKXTDSA-N 0 1 386.492 3.244 20 0 GGADMN CCc1nsc(N2CCC[N@H+](Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)n1 ZINC001597760624 989181883 /nfs/dbraw/zinc/18/18/83/989181883.db2.gz CSMRYFXZRHUGDM-UHFFFAOYSA-N 0 1 380.901 3.164 20 0 GGADMN CCc1nsc(N2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)n1 ZINC001597760624 989181888 /nfs/dbraw/zinc/18/18/88/989181888.db2.gz CSMRYFXZRHUGDM-UHFFFAOYSA-N 0 1 380.901 3.164 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC001597761394 989186400 /nfs/dbraw/zinc/18/64/00/989186400.db2.gz BDBVODDOTCWLPC-UHFFFAOYSA-N 0 1 388.283 3.359 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC001597761394 989186405 /nfs/dbraw/zinc/18/64/05/989186405.db2.gz BDBVODDOTCWLPC-UHFFFAOYSA-N 0 1 388.283 3.359 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001599862285 989188865 /nfs/dbraw/zinc/18/88/65/989188865.db2.gz MZCHTXKWWCIGGQ-CQSZACIVSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001599862285 989188870 /nfs/dbraw/zinc/18/88/70/989188870.db2.gz MZCHTXKWWCIGGQ-CQSZACIVSA-N 0 1 385.464 3.374 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762911 989200650 /nfs/dbraw/zinc/20/06/50/989200650.db2.gz MSZKDZFRZRBGGX-XOBRGWDASA-N 0 1 378.469 3.419 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762909 989201450 /nfs/dbraw/zinc/20/14/50/989201450.db2.gz MSZKDZFRZRBGGX-VBKZILBWSA-N 0 1 378.469 3.419 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(Cl)cccc3C(=O)[O-])C[C@@H]2C1 ZINC001590091288 989205727 /nfs/dbraw/zinc/20/57/27/989205727.db2.gz HDCWUANDUZDXLD-BETUJISGSA-N 0 1 380.872 3.337 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001597763508 989205962 /nfs/dbraw/zinc/20/59/62/989205962.db2.gz YGFOEIOGEFHUAM-VLIAUNLRSA-N 0 1 378.469 3.419 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001597763510 989206621 /nfs/dbraw/zinc/20/66/21/989206621.db2.gz YGFOEIOGEFHUAM-XOBRGWDASA-N 0 1 378.469 3.419 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001597763503 989206889 /nfs/dbraw/zinc/20/68/89/989206889.db2.gz YGFOEIOGEFHUAM-JLTOFOAXSA-N 0 1 378.469 3.419 20 0 GGADMN CCc1oc(C(=O)[O-])cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001597766136 989208234 /nfs/dbraw/zinc/20/82/34/989208234.db2.gz DQFCLBKYPZPUMF-QUCCMNQESA-N 0 1 384.476 3.016 20 0 GGADMN CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001597766133 989209017 /nfs/dbraw/zinc/20/90/17/989209017.db2.gz DQFCLBKYPZPUMF-AZUAARDMSA-N 0 1 384.476 3.016 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599864671 989226100 /nfs/dbraw/zinc/22/61/00/989226100.db2.gz CULBENQVTRZDTG-SJKOYZFVSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599864863 989229966 /nfs/dbraw/zinc/22/99/66/989229966.db2.gz MXNXTNSEBIAILO-SJKOYZFVSA-N 0 1 387.307 3.304 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+]([C@@H](C(=O)[O-])c3ccsc3)C[C@]2(C)C1 ZINC001590099599 989239002 /nfs/dbraw/zinc/23/90/02/989239002.db2.gz UBNWGSNKQZRWEO-ZMYBRWDISA-N 0 1 380.510 3.453 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1CC(=O)[O-] ZINC001599865351 989241664 /nfs/dbraw/zinc/24/16/64/989241664.db2.gz YSXKGEOAFLJSHY-NXEZZACHSA-N 0 1 378.778 3.340 20 0 GGADMN CC(C)(C)OC(=O)N1[C@H](C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)COC1(C)C ZINC001590105721 989258465 /nfs/dbraw/zinc/25/84/65/989258465.db2.gz MLKUBELSMFHBFB-WBVHZDCISA-N 0 1 390.480 3.042 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001599866293 989266573 /nfs/dbraw/zinc/26/65/73/989266573.db2.gz YRXNMPQEHWWXQN-HUUCEWRRSA-N 0 1 391.512 3.115 20 0 GGADMN CCc1oc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1C(=O)[O-] ZINC001597795864 989349353 /nfs/dbraw/zinc/34/93/53/989349353.db2.gz GDRPUHZFBJECSM-UHFFFAOYSA-N 0 1 378.469 3.373 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C2 ZINC001590138909 989396946 /nfs/dbraw/zinc/39/69/46/989396946.db2.gz ITNNABVJMZVAPS-MAZHCROVSA-N 0 1 378.444 3.402 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCCC(=O)[O-])C1 ZINC001590147970 989435891 /nfs/dbraw/zinc/43/58/91/989435891.db2.gz SVFIMJUBLRNLQT-IXDOHACOSA-N 0 1 384.517 3.168 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCCC(=O)[O-])C1 ZINC001590147971 989435915 /nfs/dbraw/zinc/43/59/15/989435915.db2.gz SVFIMJUBLRNLQT-ZACQAIPSSA-N 0 1 384.517 3.168 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCCC(=O)[O-])C1 ZINC001590147969 989436006 /nfs/dbraw/zinc/43/60/06/989436006.db2.gz SVFIMJUBLRNLQT-IKGGRYGDSA-N 0 1 384.517 3.168 20 0 GGADMN CCc1sc(-c2nnc(C[N@@H+]3[C@H]4C[C@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816534 989447387 /nfs/dbraw/zinc/44/73/87/989447387.db2.gz WKYABHCBXBLTMK-ZOBORPQBSA-N 0 1 391.493 3.264 20 0 GGADMN CCc1sc(-c2nnc(C[N@H+]3[C@H]4C[C@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816534 989447390 /nfs/dbraw/zinc/44/73/90/989447390.db2.gz WKYABHCBXBLTMK-ZOBORPQBSA-N 0 1 391.493 3.264 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001599879835 989469428 /nfs/dbraw/zinc/46/94/28/989469428.db2.gz IYFCOAPXTXMCLT-CZUORRHYSA-N 0 1 387.505 3.365 20 0 GGADMN CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2Cc1ccc(C(=O)[O-])cn1 ZINC001590168581 989489663 /nfs/dbraw/zinc/48/96/63/989489663.db2.gz HYZKZMGNSLRNGN-UHFFFAOYSA-N 0 1 375.469 3.049 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001590169992 989493894 /nfs/dbraw/zinc/49/38/94/989493894.db2.gz OMCJWURPTAYCFO-YCRPNKLZSA-N 0 1 390.480 3.143 20 0 GGADMN CC(C)(C)OC(=O)NCC12CCC(CC1)[N@H+]2[C@@H](C(=O)[O-])c1ccccc1F ZINC001590169928 989494371 /nfs/dbraw/zinc/49/43/71/989494371.db2.gz NZKDPDAUMBDMGJ-WGAFOPHPSA-N 0 1 378.444 3.473 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12C[N@@H+](Cc3ccc(C(=O)[O-])cn3)C[C@@H]1CCCC2 ZINC001590170974 989497525 /nfs/dbraw/zinc/49/75/25/989497525.db2.gz UPFIXPUDPBQLJK-HRAATJIYSA-N 0 1 389.496 3.297 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CCCO1 ZINC001590176325 989504967 /nfs/dbraw/zinc/50/49/67/989504967.db2.gz GHOZXFANUKKDTC-HOTGVXAUSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCCO1 ZINC001590176327 989505004 /nfs/dbraw/zinc/50/50/04/989505004.db2.gz GHOZXFANUKKDTC-JKSUJKDBSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@@H]1C(F)(F)F ZINC001590176783 989510177 /nfs/dbraw/zinc/51/01/77/989510177.db2.gz LHYUOYPASOBUJL-OLZOCXBDSA-N 0 1 382.423 3.266 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@H]1C(F)(F)F ZINC001590176782 989510560 /nfs/dbraw/zinc/51/05/60/989510560.db2.gz LHYUOYPASOBUJL-CHWSQXEVSA-N 0 1 382.423 3.266 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001590176847 989510606 /nfs/dbraw/zinc/51/06/06/989510606.db2.gz LTQCVBIQZZBMBS-AWEZNQCLSA-N 0 1 385.464 3.280 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CC[C@@H]1C(F)(F)F ZINC001590178749 989525059 /nfs/dbraw/zinc/52/50/59/989525059.db2.gz YUFXUPJYKCNTRW-OLZOCXBDSA-N 0 1 394.434 3.266 20 0 GGADMN CC(C)(C)OC(=O)NCCC[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)CC1CCCC1 ZINC001590195080 989553679 /nfs/dbraw/zinc/55/36/79/989553679.db2.gz PUZFLQUSVLHFIW-HUUCEWRRSA-N 0 1 390.471 3.359 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C[C@H]1c1ccccc1 ZINC001590267326 989661830 /nfs/dbraw/zinc/66/18/30/989661830.db2.gz AOYVNAZURYJUSY-IPMKNSEASA-N 0 1 397.475 3.200 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC[C@H]1F ZINC001590267706 989664976 /nfs/dbraw/zinc/66/49/76/989664976.db2.gz LBKRQANLPJITOR-KFWWJZLASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC[C@H]1F ZINC001590267706 989664979 /nfs/dbraw/zinc/66/49/79/989664979.db2.gz LBKRQANLPJITOR-KFWWJZLASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC001590267973 989667940 /nfs/dbraw/zinc/66/79/40/989667940.db2.gz RJRLTWSJJSAATN-RBUKOAKNSA-N 0 1 397.475 3.273 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccsc2C(=O)[O-])C[C@H]1C(F)(F)F ZINC001590268320 989671509 /nfs/dbraw/zinc/67/15/09/989671509.db2.gz WXPUSFPWDUIKAZ-GHMZBOCLSA-N 0 1 394.415 3.334 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2C(=O)[O-])C[C@H]1C(F)(F)F ZINC001590268320 989671511 /nfs/dbraw/zinc/67/15/11/989671511.db2.gz WXPUSFPWDUIKAZ-GHMZBOCLSA-N 0 1 394.415 3.334 20 0 GGADMN CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CCCC[C@@H]2C(=O)[O-])cn1 ZINC001597882160 989710477 /nfs/dbraw/zinc/71/04/77/989710477.db2.gz KCZKVEUVOJMGLB-HLAWJBBLSA-N 0 1 385.508 3.330 20 0 GGADMN CCn1cc([C@@H](O)C[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)Cc2ccccc2)cn1 ZINC001597882334 989711440 /nfs/dbraw/zinc/71/14/40/989711440.db2.gz MRVSNJWQDLJCED-IBGZPJMESA-N 0 1 383.448 3.238 20 0 GGADMN CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2C(=O)[O-])cn1 ZINC001597883054 989717422 /nfs/dbraw/zinc/71/74/22/989717422.db2.gz ZBBCIJPAJCVJER-OAQYLSRUSA-N 0 1 397.450 3.476 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@]2(C(=O)[O-])C1 ZINC001590296718 989717613 /nfs/dbraw/zinc/71/76/13/989717613.db2.gz JOYLUVRAHOMKAP-HYFFOGBASA-N 0 1 399.491 3.358 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC001590302694 989728500 /nfs/dbraw/zinc/72/85/00/989728500.db2.gz BYRBNGFYMGKADY-KRWDZBQOSA-N 0 1 378.469 3.489 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@H+](CC1(CC(=O)[O-])CC1)C2 ZINC001590315268 989744556 /nfs/dbraw/zinc/74/45/56/989744556.db2.gz NQVIIDNXDNXTCA-UHFFFAOYSA-N 0 1 376.453 3.483 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)CC2 ZINC001590318393 989748311 /nfs/dbraw/zinc/74/83/11/989748311.db2.gz CRPQGNFKYDAHEM-HIFRSBDPSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cn1 ZINC001590319775 989757946 /nfs/dbraw/zinc/75/79/46/989757946.db2.gz NRKOJDHFHKAELL-CYBMUJFWSA-N 0 1 378.473 3.146 20 0 GGADMN CC(C)(C)OCCC[NH+]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001590381437 989893886 /nfs/dbraw/zinc/89/38/86/989893886.db2.gz AOOXOUYWYZJUCZ-UHFFFAOYSA-N 0 1 391.512 3.059 20 0 GGADMN CC(C)(C)OCCC[NH+]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001590382963 989901987 /nfs/dbraw/zinc/90/19/87/989901987.db2.gz VERYWLWXUHNVLE-UHFFFAOYSA-N 0 1 399.438 3.018 20 0 GGADMN CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n2)cc1 ZINC001590472081 990042622 /nfs/dbraw/zinc/04/26/22/990042622.db2.gz IMLUAIWEJFRGIO-HWWDLCQESA-N 0 1 399.516 3.309 20 0 GGADMN CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n2)cc1 ZINC001590472081 990042628 /nfs/dbraw/zinc/04/26/28/990042628.db2.gz IMLUAIWEJFRGIO-HWWDLCQESA-N 0 1 399.516 3.309 20 0 GGADMN CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1)c1ccccc1 ZINC001598003353 990140579 /nfs/dbraw/zinc/14/05/79/990140579.db2.gz NYLRNSUPQMIBCX-KRWDZBQOSA-N 0 1 389.455 3.418 20 0 GGADMN CN(C(=O)C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1)c1ccccc1C(=O)[O-] ZINC001598019199 990206700 /nfs/dbraw/zinc/20/67/00/990206700.db2.gz MNPLHJGBIVIAJK-VVBPWWLESA-N 0 1 386.492 3.017 20 0 GGADMN CN(C(=O)C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1)c1ccccc1C(=O)[O-] ZINC001598019199 990206704 /nfs/dbraw/zinc/20/67/04/990206704.db2.gz MNPLHJGBIVIAJK-VVBPWWLESA-N 0 1 386.492 3.017 20 0 GGADMN CN(C(=O)C[NH+]1CCC(OCCc2ccccc2)CC1)c1ccccc1C(=O)[O-] ZINC001598024108 990227569 /nfs/dbraw/zinc/22/75/69/990227569.db2.gz VQFXTNOHNHDITC-UHFFFAOYSA-N 0 1 396.487 3.071 20 0 GGADMN CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047443 990286801 /nfs/dbraw/zinc/28/68/01/990286801.db2.gz PXGSDVOLOHIKPT-NXHRZFHOSA-N 0 1 393.915 3.199 20 0 GGADMN CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047443 990286806 /nfs/dbraw/zinc/28/68/06/990286806.db2.gz PXGSDVOLOHIKPT-NXHRZFHOSA-N 0 1 393.915 3.199 20 0 GGADMN CN(C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001598049716 990300032 /nfs/dbraw/zinc/30/00/32/990300032.db2.gz YWTPDUPAONWMPM-VFSICIBPSA-N 0 1 399.413 3.255 20 0 GGADMN CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001598061750 990335412 /nfs/dbraw/zinc/33/54/12/990335412.db2.gz NREVJVXYFCVWGQ-SJPCQFCGSA-N 0 1 377.510 3.093 20 0 GGADMN CC(C)(C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1)C(N)=O ZINC001590654052 990345190 /nfs/dbraw/zinc/34/51/90/990345190.db2.gz JLSWHFAEFAHUIB-CQSZACIVSA-N 0 1 385.464 3.153 20 0 GGADMN CC(C)(CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)C(=O)[O-] ZINC001590670792 990375105 /nfs/dbraw/zinc/37/51/05/990375105.db2.gz HHTYEOUVQBUOLP-SKDRFNHKSA-N 0 1 383.124 3.315 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(=O)[O-] ZINC001590716671 990478964 /nfs/dbraw/zinc/47/89/64/990478964.db2.gz DQDKOACMJAJROH-OALUTQOASA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)(CNC(=O)NCCCCCCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001590723149 990503154 /nfs/dbraw/zinc/50/31/54/990503154.db2.gz LVUJBCNCYBMAAY-UHFFFAOYSA-N 0 1 375.513 3.158 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590739473 990535459 /nfs/dbraw/zinc/53/54/59/990535459.db2.gz HXXWMOVYBQXLQX-GFCCVEGCSA-N 0 1 383.514 3.182 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001590739434 990535893 /nfs/dbraw/zinc/53/58/93/990535893.db2.gz GMCRBBRLOMUFBO-NWDGAFQWSA-N 0 1 382.423 3.122 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001598144422 990609723 /nfs/dbraw/zinc/60/97/23/990609723.db2.gz GGOPJQMLBNXDDX-OAHLLOKOSA-N 0 1 376.400 3.299 20 0 GGADMN C[NH+](C)[C@H](C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC001598162623 990662563 /nfs/dbraw/zinc/66/25/63/990662563.db2.gz ICEUKIPBVRRIKQ-FXAWDEMLSA-N 0 1 392.858 3.284 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC001598162626 990662618 /nfs/dbraw/zinc/66/26/18/990662618.db2.gz ICEUKIPBVRRIKQ-XLIONFOSSA-N 0 1 392.858 3.284 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001598163376 990669526 /nfs/dbraw/zinc/66/95/26/990669526.db2.gz SBHLAQRZAZXQPH-IPMKNSEASA-N 0 1 386.879 3.270 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC001598163889 990673556 /nfs/dbraw/zinc/67/35/56/990673556.db2.gz YJAOIZQGRBVORT-OWSLCNJRSA-N 0 1 378.900 3.435 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001598171991 990711488 /nfs/dbraw/zinc/71/14/88/990711488.db2.gz ZYAVWVZJVXWEPK-SFHVURJKSA-N 0 1 389.883 3.183 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1Br)c1ccco1 ZINC001598173560 990712833 /nfs/dbraw/zinc/71/28/33/990712833.db2.gz DDZHUQDSXTYOIA-GFCCVEGCSA-N 0 1 396.241 3.165 20 0 GGADMN COc1cccc([C@H]([NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)C(=O)[O-])c1 ZINC001599688126 991021594 /nfs/dbraw/zinc/02/15/94/991021594.db2.gz NMYGDXWBNOQFFA-AWEZNQCLSA-N 0 1 393.465 3.414 20 0 GGADMN C[NH+](C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)o1 ZINC001598248742 991023801 /nfs/dbraw/zinc/02/38/01/991023801.db2.gz KFPNURNMKRZSOV-AWEZNQCLSA-N 0 1 395.253 3.050 20 0 GGADMN C[NH+](C)Cc1cccc(CNCc2ccc(C(=O)[O-])cc2Br)c1 ZINC001598253671 991046683 /nfs/dbraw/zinc/04/66/83/991046683.db2.gz ZIWXZMSJCIXASX-UHFFFAOYSA-N 0 1 377.282 3.499 20 0 GGADMN COc1ccccc1-c1nc(C[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)co1 ZINC001599694909 991133863 /nfs/dbraw/zinc/13/38/63/991133863.db2.gz FRTSIKYJDZBXGU-UHFFFAOYSA-N 0 1 383.404 3.416 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590980824 991134121 /nfs/dbraw/zinc/13/41/21/991134121.db2.gz KYHQADIWMSYKGM-JQVVWYNYSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001590981546 991142325 /nfs/dbraw/zinc/14/23/25/991142325.db2.gz WMYSDJIDISLWTF-NRFANRHFSA-N 0 1 397.519 3.270 20 0 GGADMN COc1ccccc1-c1noc([C@@H](C)[NH2+]CCOc2ccccc2C(=O)[O-])n1 ZINC001599695688 991146050 /nfs/dbraw/zinc/14/60/50/991146050.db2.gz CJBBJRQFSFBJGI-CYBMUJFWSA-N 0 1 383.404 3.173 20 0 GGADMN CC(C)[C@@H](CNC(=O)C[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001590982360 991149802 /nfs/dbraw/zinc/14/98/02/991149802.db2.gz KYZBWICRHMDXSW-OAQYLSRUSA-N 0 1 380.488 3.299 20 0 GGADMN CC(C)[C@@H](CNC(=O)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001590982360 991149805 /nfs/dbraw/zinc/14/98/05/991149805.db2.gz KYZBWICRHMDXSW-OAQYLSRUSA-N 0 1 380.488 3.299 20 0 GGADMN CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590987922 991175876 /nfs/dbraw/zinc/17/58/76/991175876.db2.gz BIRPWEBDGCGCHG-UONOGXRCSA-N 0 1 397.541 3.428 20 0 GGADMN CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002159 991262571 /nfs/dbraw/zinc/26/25/71/991262571.db2.gz OROXLLAONDEIGV-VQIMIIECSA-N 0 1 378.488 3.462 20 0 GGADMN CC(C)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1Cl ZINC001591007800 991272860 /nfs/dbraw/zinc/27/28/60/991272860.db2.gz NFTVKRCTQXZQRH-KSSFIOAISA-N 0 1 381.904 3.228 20 0 GGADMN CN(C)c1ccc(C2CC[NH+](CN3Cc4ccc(C(=O)[O-])cc4C3=O)CC2)cc1 ZINC001598314345 991296096 /nfs/dbraw/zinc/29/60/96/991296096.db2.gz OWAKBTXVMLWWTE-UHFFFAOYSA-N 0 1 393.487 3.244 20 0 GGADMN CC(C)[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001591023986 991309890 /nfs/dbraw/zinc/30/98/90/991309890.db2.gz FAPOFETWJSQQCD-UXHICEINSA-N 0 1 382.932 3.317 20 0 GGADMN CN(C)c1ccc(F)cc1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598322555 991333678 /nfs/dbraw/zinc/33/36/78/991333678.db2.gz XPPOFZNKDYSVGA-DLBZAZTESA-N 0 1 378.394 3.470 20 0 GGADMN COc1ccccc1C[N@@H+](Cc1ccccc1OCC(=O)[O-])C[C@H]1CCCO1 ZINC001599711199 991374260 /nfs/dbraw/zinc/37/42/60/991374260.db2.gz KWJMLVGNUPTWNP-LJQANCHMSA-N 0 1 385.460 3.340 20 0 GGADMN COc1ccccc1C[N@H+](Cc1ccccc1OCC(=O)[O-])C[C@H]1CCCO1 ZINC001599711199 991374266 /nfs/dbraw/zinc/37/42/66/991374266.db2.gz KWJMLVGNUPTWNP-LJQANCHMSA-N 0 1 385.460 3.340 20 0 GGADMN COc1ccccc1C[NH+]1CCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001599711878 991384611 /nfs/dbraw/zinc/38/46/11/991384611.db2.gz OEQIUIAKKKBMCO-UHFFFAOYSA-N 0 1 395.381 3.129 20 0 GGADMN COc1ccccc1COC1CC[NH+](CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001599712960 991403242 /nfs/dbraw/zinc/40/32/42/991403242.db2.gz QEPJSLPFUXHPJE-UHFFFAOYSA-N 0 1 398.459 3.013 20 0 GGADMN CN(C)c1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598349044 991443012 /nfs/dbraw/zinc/44/30/12/991443012.db2.gz SGBKOXFEUTWMCF-CYBMUJFWSA-N 0 1 385.308 3.005 20 0 GGADMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)[O-])C1 ZINC001599716020 991456617 /nfs/dbraw/zinc/45/66/17/991456617.db2.gz XTQNCFHRDIVLKO-KRWDZBQOSA-N 0 1 398.459 3.009 20 0 GGADMN COc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599716441 991464178 /nfs/dbraw/zinc/46/41/78/991464178.db2.gz SDASJHWUFBLLFZ-HNNXBMFYSA-N 0 1 386.448 3.040 20 0 GGADMN COc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599716441 991464184 /nfs/dbraw/zinc/46/41/84/991464184.db2.gz SDASJHWUFBLLFZ-HNNXBMFYSA-N 0 1 386.448 3.040 20 0 GGADMN CN(C)c1ncnc(Cl)c1C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598360221 991500366 /nfs/dbraw/zinc/50/03/66/991500366.db2.gz PRVCICIAMJEGSM-GFCCVEGCSA-N 0 1 388.777 3.130 20 0 GGADMN COc1cc[nH+]c(N2CCN([C@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001599721235 991540925 /nfs/dbraw/zinc/54/09/25/991540925.db2.gz ACJQJPPUPDYGCD-KRWDZBQOSA-N 0 1 396.274 3.345 20 0 GGADMN COc1cc[nH+]c(N2CCN([C@@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001599721537 991546620 /nfs/dbraw/zinc/54/66/20/991546620.db2.gz OFXFLMXMOWYAFB-QGZVFWFLSA-N 0 1 395.381 3.057 20 0 GGADMN COc1cc[nH+]c(N2CCN([C@H](C(=O)[O-])c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001599721534 991546716 /nfs/dbraw/zinc/54/67/16/991546716.db2.gz OFXFLMXMOWYAFB-KRWDZBQOSA-N 0 1 395.381 3.057 20 0 GGADMN C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C(C)(C)CC(=O)[O-] ZINC001598386895 991613091 /nfs/dbraw/zinc/61/30/91/991613091.db2.gz NIKAIDGENGEQBX-SFHVURJKSA-N 0 1 378.469 3.278 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C(C)(C)CC(=O)[O-] ZINC001598386893 991613467 /nfs/dbraw/zinc/61/34/67/991613467.db2.gz NIKAIDGENGEQBX-GOSISDBHSA-N 0 1 378.469 3.278 20 0 GGADMN C[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598391813 991635570 /nfs/dbraw/zinc/63/55/70/991635570.db2.gz PLTBZSKXSQSJSJ-UHFFFAOYSA-N 0 1 382.504 3.473 20 0 GGADMN C[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598391813 991635573 /nfs/dbraw/zinc/63/55/73/991635573.db2.gz PLTBZSKXSQSJSJ-UHFFFAOYSA-N 0 1 382.504 3.473 20 0 GGADMN C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC001598391988 991638605 /nfs/dbraw/zinc/63/86/05/991638605.db2.gz HBZKDHQZSYDXRR-UHFFFAOYSA-N 0 1 380.488 3.445 20 0 GGADMN C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC001598391988 991638610 /nfs/dbraw/zinc/63/86/10/991638610.db2.gz HBZKDHQZSYDXRR-UHFFFAOYSA-N 0 1 380.488 3.445 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC[N@H+]1Cc1ccccc1 ZINC001591093415 991659126 /nfs/dbraw/zinc/65/91/26/991659126.db2.gz UEJXBJJSZRODRF-GOSISDBHSA-N 0 1 382.464 3.154 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1(CC(=O)[O-])CC1 ZINC001598397653 991673982 /nfs/dbraw/zinc/67/39/82/991673982.db2.gz LVUMXVZTWPQYHF-UHFFFAOYSA-N 0 1 378.778 3.484 20 0 GGADMN CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001598397633 991674323 /nfs/dbraw/zinc/67/43/23/991674323.db2.gz KEHVXCDPWCMHSY-OAQYLSRUSA-N 0 1 395.503 3.310 20 0 GGADMN C[N@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(Br)cc1 ZINC001598401081 991696513 /nfs/dbraw/zinc/69/65/13/991696513.db2.gz SSOZSFXPPYCDER-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(Br)cc1 ZINC001598401081 991696520 /nfs/dbraw/zinc/69/65/20/991696520.db2.gz SSOZSFXPPYCDER-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN COc1ncc(Br)cc1C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599732941 991733725 /nfs/dbraw/zinc/73/37/25/991733725.db2.gz DNUUETYMRBWSCW-HZPDHXFCSA-N 0 1 391.265 3.153 20 0 GGADMN COc1ncc(Br)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001599732942 991733740 /nfs/dbraw/zinc/73/37/40/991733740.db2.gz DNUUETYMRBWSCW-JKSUJKDBSA-N 0 1 391.265 3.153 20 0 GGADMN CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001598420484 991757123 /nfs/dbraw/zinc/75/71/23/991757123.db2.gz ZSTLSMWFAMZHBY-GOSISDBHSA-N 0 1 391.471 3.255 20 0 GGADMN C[N@@H+](C[C@](C)(O)c1ccccc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598426519 991781634 /nfs/dbraw/zinc/78/16/34/991781634.db2.gz UGUKCLFVFILLFS-WMZOPIPTSA-N 0 1 378.266 3.414 20 0 GGADMN C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598426516 991781922 /nfs/dbraw/zinc/78/19/22/991781922.db2.gz UGUKCLFVFILLFS-FUHWJXTLSA-N 0 1 378.266 3.414 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001591121437 991795805 /nfs/dbraw/zinc/79/58/05/991795805.db2.gz WLZHDJMXRJBVDC-RWMBFGLXSA-N 0 1 382.423 3.263 20 0 GGADMN C[N@@H+](C[C@H](O)CC1(O)CCCCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598432326 991799530 /nfs/dbraw/zinc/79/95/30/991799530.db2.gz DTFRWPOUPZXLTI-CJNGLKHVSA-N 0 1 390.307 3.497 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001591123188 991804691 /nfs/dbraw/zinc/80/46/91/991804691.db2.gz PSSJBEWZTGYLGR-WNRNVDISSA-N 0 1 398.544 3.270 20 0 GGADMN C[N@@H+](C[C@H](O)CC[C@H](O)c1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598432918 991806362 /nfs/dbraw/zinc/80/63/62/991806362.db2.gz PJKIERFHWWSNCE-LJHODMEESA-N 0 1 397.393 3.036 20 0 GGADMN C[N@@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598432916 991807168 /nfs/dbraw/zinc/80/71/68/991807168.db2.gz PJKIERFHWWSNCE-BJZITVGISA-N 0 1 397.393 3.036 20 0 GGADMN C[N@@H+](C[C@@H](O)CC1(O)CCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598433546 991811587 /nfs/dbraw/zinc/81/15/87/991811587.db2.gz VFRSBDIIYLWJQB-SWLSCSKDSA-N 0 1 376.280 3.107 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598435891 991820964 /nfs/dbraw/zinc/82/09/64/991820964.db2.gz AHQCXVSNPXUXIL-BMFZPTHFSA-N 0 1 375.387 3.177 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001599740272 991840242 /nfs/dbraw/zinc/84/02/42/991840242.db2.gz MAWCIANKISWVOK-GFCCVEGCSA-N 0 1 384.498 3.184 20 0 GGADMN COc1nsc(C[N@H+](C)Cc2cc(Br)cs2)c1C(=O)[O-] ZINC001599741423 991862374 /nfs/dbraw/zinc/86/23/74/991862374.db2.gz VYGYWSMVVWUCEW-UHFFFAOYSA-N 0 1 377.285 3.306 20 0 GGADMN COc1nsc(C[N@@H+](C)Cc2cc(Br)cs2)c1C(=O)[O-] ZINC001599741423 991862386 /nfs/dbraw/zinc/86/23/86/991862386.db2.gz VYGYWSMVVWUCEW-UHFFFAOYSA-N 0 1 377.285 3.306 20 0 GGADMN C[N@@H+](C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598444106 991877849 /nfs/dbraw/zinc/87/78/49/991877849.db2.gz VCJVBDBTKMHLCR-CTNGQTDRSA-N 0 1 388.895 3.035 20 0 GGADMN COc1nsc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)c1C(=O)[O-] ZINC001599742520 991879543 /nfs/dbraw/zinc/87/95/43/991879543.db2.gz PYEHDWLYNYQNRB-UHFFFAOYSA-N 0 1 379.438 3.402 20 0 GGADMN C[N@@H+](CC1CCC2(CC1)OCCO2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598453751 991919396 /nfs/dbraw/zinc/91/93/96/991919396.db2.gz ZKZKIZRZUMKCSW-MRXNPFEDSA-N 0 1 398.297 3.440 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC001599746719 991938102 /nfs/dbraw/zinc/93/81/02/991938102.db2.gz NTGXTUBLWFNAGQ-NSHDSACASA-N 0 1 385.482 3.138 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC001599746719 991938107 /nfs/dbraw/zinc/93/81/07/991938107.db2.gz NTGXTUBLWFNAGQ-NSHDSACASA-N 0 1 385.482 3.138 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170808 991956984 /nfs/dbraw/zinc/95/69/84/991956984.db2.gz QZZCOEHLWYYLOD-SFTDATJTSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170808 991956994 /nfs/dbraw/zinc/95/69/94/991956994.db2.gz QZZCOEHLWYYLOD-SFTDATJTSA-N 0 1 380.488 3.250 20 0 GGADMN CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599751344 991995237 /nfs/dbraw/zinc/99/52/37/991995237.db2.gz ZDMSCXAEFAMYCL-HNNXBMFYSA-N 0 1 391.489 3.434 20 0 GGADMN CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599751344 991995242 /nfs/dbraw/zinc/99/52/42/991995242.db2.gz ZDMSCXAEFAMYCL-HNNXBMFYSA-N 0 1 391.489 3.434 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598469601 992004229 /nfs/dbraw/zinc/00/42/29/992004229.db2.gz OGJMQLLIIFPNAK-CALCHBBNSA-N 0 1 380.444 3.041 20 0 GGADMN C[N@@H+](CCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1)C1CCCCC1 ZINC001598469839 992008220 /nfs/dbraw/zinc/00/82/20/992008220.db2.gz NDVZHRHRWBWZEB-UHFFFAOYSA-N 0 1 384.480 3.046 20 0 GGADMN C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598472027 992041242 /nfs/dbraw/zinc/04/12/42/992041242.db2.gz IUGJFTLXUOOKKX-GOSISDBHSA-N 0 1 386.473 3.085 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1cc(C(=O)[O-])on1 ZINC001591211134 992051894 /nfs/dbraw/zinc/05/18/94/992051894.db2.gz RPHHQVICVLUKAT-SFHVURJKSA-N 0 1 399.491 3.178 20 0 GGADMN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598477728 992102098 /nfs/dbraw/zinc/10/20/98/992102098.db2.gz ACQVQYZIOZWNBQ-QGZVFWFLSA-N 0 1 386.835 3.084 20 0 GGADMN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598478319 992109527 /nfs/dbraw/zinc/10/95/27/992109527.db2.gz ISNAYSSLURPNDA-QGZVFWFLSA-N 0 1 386.835 3.084 20 0 GGADMN C[N@@H+](CCCNC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C1CCCCC1 ZINC001598480088 992134253 /nfs/dbraw/zinc/13/42/53/992134253.db2.gz CQMXMHRKVWLALL-ZDUSSCGKSA-N 0 1 394.541 3.109 20 0 GGADMN C[N@@H+](CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC001598480780 992146410 /nfs/dbraw/zinc/14/64/10/992146410.db2.gz VRWJPIDTFGLELC-WOJBJXKFSA-N 0 1 387.524 3.151 20 0 GGADMN Cn1nc(CCC[N@@H+](C)Cc2ccc(C(=O)[O-])n2C)cc1-c1ccc(F)cc1 ZINC001598482916 992179478 /nfs/dbraw/zinc/17/94/78/992179478.db2.gz HPWFTPDOUCQSDX-UHFFFAOYSA-N 0 1 384.455 3.328 20 0 GGADMN C[N@@H+](CCCn1c(=O)[nH]c2ccccc21)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598485919 992207463 /nfs/dbraw/zinc/20/74/63/992207463.db2.gz YCBMBOXEWOLESX-QGZVFWFLSA-N 0 1 393.365 3.307 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)s1 ZINC001599769775 992229921 /nfs/dbraw/zinc/22/99/21/992229921.db2.gz OFFLYZLNAFZBDF-UHFFFAOYSA-N 0 1 391.470 3.400 20 0 GGADMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598488347 992243940 /nfs/dbraw/zinc/24/39/40/992243940.db2.gz VJSKPIQJMOHYTR-HXUWFJFHSA-N 0 1 387.911 3.220 20 0 GGADMN CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001598488384 992244006 /nfs/dbraw/zinc/24/40/06/992244006.db2.gz YDALOHSMHIHOQU-UHFFFAOYSA-N 0 1 397.541 3.318 20 0 GGADMN CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001598488384 992244014 /nfs/dbraw/zinc/24/40/14/992244014.db2.gz YDALOHSMHIHOQU-UHFFFAOYSA-N 0 1 397.541 3.318 20 0 GGADMN CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598488928 992254025 /nfs/dbraw/zinc/25/40/25/992254025.db2.gz NMIAYHQNJOKRKP-UHFFFAOYSA-N 0 1 389.521 3.051 20 0 GGADMN CN(CC[N@H+]1CCOC(C)(C)C1)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598488928 992254031 /nfs/dbraw/zinc/25/40/31/992254031.db2.gz NMIAYHQNJOKRKP-UHFFFAOYSA-N 0 1 389.521 3.051 20 0 GGADMN CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001599773373 992272462 /nfs/dbraw/zinc/27/24/62/992272462.db2.gz IAPHGYNFDQYFDH-UHFFFAOYSA-N 0 1 387.379 3.097 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598490329 992279691 /nfs/dbraw/zinc/27/96/91/992279691.db2.gz BXSVFFPGHPOBES-UHFFFAOYSA-N 0 1 379.819 3.431 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001598490630 992285169 /nfs/dbraw/zinc/28/51/69/992285169.db2.gz ACEUZKGGFVVBQD-UHFFFAOYSA-N 0 1 376.375 3.360 20 0 GGADMN C[N@@H+](CCNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)Cc1ccccc1 ZINC001598490662 992285635 /nfs/dbraw/zinc/28/56/35/992285635.db2.gz JQUUSKAXUBWPPI-UHFFFAOYSA-N 0 1 395.459 3.105 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001591331864 992308902 /nfs/dbraw/zinc/30/89/02/992308902.db2.gz YAZUILMMYKEDLD-UHFFFAOYSA-N 0 1 390.480 3.489 20 0 GGADMN C[N@@H+](CCNC(=O)c1cc(F)ccc1Sc1ccc(Cl)cc1)CC(=O)[O-] ZINC001598492069 992309693 /nfs/dbraw/zinc/30/96/93/992309693.db2.gz FBMONXFOFVKKDB-UHFFFAOYSA-N 0 1 396.871 3.377 20 0 GGADMN CC(C)C[N@@H+](CCc1ccc(F)cc1)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001591342532 992322005 /nfs/dbraw/zinc/32/20/05/992322005.db2.gz GOHSIWHIBMPBPJ-UHFFFAOYSA-N 0 1 378.488 3.230 20 0 GGADMN CC(C)C[N@@H+](Cn1nc(-c2ccncc2)n(C)c1=S)CC(C)(C)C(=O)[O-] ZINC001591349351 992334304 /nfs/dbraw/zinc/33/43/04/992334304.db2.gz KGGSEYXFXDDMCV-UHFFFAOYSA-N 0 1 377.514 3.039 20 0 GGADMN CC(C)C[N@@H+](Cc1cnc(NC(=O)OC(C)(C)C)cn1)CC(C)(C)C(=O)[O-] ZINC001591349670 992335627 /nfs/dbraw/zinc/33/56/27/992335627.db2.gz QFYGPYJQGYMHMI-UHFFFAOYSA-N 0 1 380.489 3.392 20 0 GGADMN C[N@@H+](CCNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C1CCCCC1 ZINC001598494229 992341779 /nfs/dbraw/zinc/34/17/79/992341779.db2.gz PVJMINQQSBXGAQ-UHFFFAOYSA-N 0 1 390.505 3.081 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001591355889 992347818 /nfs/dbraw/zinc/34/78/18/992347818.db2.gz DOCPYQQEHKWVGA-VQIMIIECSA-N 0 1 387.524 3.082 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591364842 992365066 /nfs/dbraw/zinc/36/50/66/992365066.db2.gz QVQOVKMAMILFCH-ZDUSSCGKSA-N 0 1 387.249 3.345 20 0 GGADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001591366923 992384771 /nfs/dbraw/zinc/38/47/71/992384771.db2.gz GIHOLQKLNQFQLK-OAHLLOKOSA-N 0 1 391.493 3.078 20 0 GGADMN C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1Cl ZINC001598498154 992392135 /nfs/dbraw/zinc/39/21/35/992392135.db2.gz RXXPGTHKWWKKFH-UHFFFAOYSA-N 0 1 386.876 3.011 20 0 GGADMN C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1Cl ZINC001598498154 992392142 /nfs/dbraw/zinc/39/21/42/992392142.db2.gz RXXPGTHKWWKKFH-UHFFFAOYSA-N 0 1 386.876 3.011 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001598498668 992398910 /nfs/dbraw/zinc/39/89/10/992398910.db2.gz GVRSESRTOJEWFA-FNUUXAGOSA-N 0 1 396.443 3.120 20 0 GGADMN CC(C)CNC(=O)CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001591369681 992399808 /nfs/dbraw/zinc/39/98/08/992399808.db2.gz XBMDEZDNFGBVTG-AWEZNQCLSA-N 0 1 391.331 3.121 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)CCc1nccc(C(F)(F)F)n1 ZINC001598498779 992400529 /nfs/dbraw/zinc/40/05/29/992400529.db2.gz OCYHXSGKOGJLHO-DAXSKMNVSA-N 0 1 395.381 3.147 20 0 GGADMN C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)CC(=O)Nc1ccccc1Cl ZINC001598498921 992403053 /nfs/dbraw/zinc/40/30/53/992403053.db2.gz WHLQDCJPBOAVML-FLIBITNWSA-N 0 1 388.851 3.387 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)CC(=O)Nc1ccccc1Cl ZINC001598498921 992403056 /nfs/dbraw/zinc/40/30/56/992403056.db2.gz WHLQDCJPBOAVML-FLIBITNWSA-N 0 1 388.851 3.387 20 0 GGADMN C[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)CC(=O)Nc1ccccc1Cl ZINC001598498920 992403213 /nfs/dbraw/zinc/40/32/13/992403213.db2.gz WHLQDCJPBOAVML-DHZHZOJOSA-N 0 1 388.851 3.387 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)CC(=O)Nc1ccccc1Cl ZINC001598498920 992403218 /nfs/dbraw/zinc/40/32/18/992403218.db2.gz WHLQDCJPBOAVML-DHZHZOJOSA-N 0 1 388.851 3.387 20 0 GGADMN C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598500046 992422473 /nfs/dbraw/zinc/42/24/73/992422473.db2.gz BNHSRNWADZVLLJ-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598500046 992422478 /nfs/dbraw/zinc/42/24/78/992422478.db2.gz BNHSRNWADZVLLJ-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598500705 992433301 /nfs/dbraw/zinc/43/33/01/992433301.db2.gz UARFRKFVVNIOSV-OAHLLOKOSA-N 0 1 378.881 3.380 20 0 GGADMN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001598501883 992446447 /nfs/dbraw/zinc/44/64/47/992446447.db2.gz OZFIUSZZOCZRTL-GOSISDBHSA-N 0 1 378.476 3.010 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598503935 992474519 /nfs/dbraw/zinc/47/45/19/992474519.db2.gz ZOQHOHWKTAGRAE-QGZVFWFLSA-N 0 1 382.464 3.298 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598503896 992474590 /nfs/dbraw/zinc/47/45/90/992474590.db2.gz YWWYJVZWKPHBRO-AABGKKOBSA-N 0 1 387.524 3.326 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001598506196 992506426 /nfs/dbraw/zinc/50/64/26/992506426.db2.gz YRAIMUAGVCNKLS-IGCXYCKISA-N 0 1 382.863 3.013 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001598506197 992506463 /nfs/dbraw/zinc/50/64/63/992506463.db2.gz YRAIMUAGVCNKLS-IIYDPXPESA-N 0 1 382.863 3.013 20 0 GGADMN CN(Cc1cc(C(=O)[O-])c2n1CCCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001598506945 992516808 /nfs/dbraw/zinc/51/68/08/992516808.db2.gz IJSBLOSADAYNAQ-LJQANCHMSA-N 0 1 381.520 3.477 20 0 GGADMN C[N@@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)C1CCN(CCC(F)(F)F)CC1 ZINC001598507015 992517816 /nfs/dbraw/zinc/51/78/16/992517816.db2.gz KLIZIZGCMZIUSE-UHFFFAOYSA-N 0 1 387.446 3.371 20 0 GGADMN CN(Cc1cc(C(=O)[O-])c2n1CCCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001598507015 992517824 /nfs/dbraw/zinc/51/78/24/992517824.db2.gz KLIZIZGCMZIUSE-UHFFFAOYSA-N 0 1 387.446 3.371 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001598507103 992518983 /nfs/dbraw/zinc/51/89/83/992518983.db2.gz HSUOHBNAZVFSJT-NUTKFTJISA-N 0 1 385.291 3.137 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001598507100 992519532 /nfs/dbraw/zinc/51/95/32/992519532.db2.gz HSUOHBNAZVFSJT-MJEQTWJJSA-N 0 1 385.291 3.137 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001591441622 992536038 /nfs/dbraw/zinc/53/60/38/992536038.db2.gz DGLNNAWNFZRAOA-NJDAHSKKSA-N 0 1 386.536 3.398 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001591441882 992539232 /nfs/dbraw/zinc/53/92/32/992539232.db2.gz WKPVMWJJQIEAMQ-BRWVUGGUSA-N 0 1 382.451 3.005 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001591441883 992539828 /nfs/dbraw/zinc/53/98/28/992539828.db2.gz WKPVMWJJQIEAMQ-ZACQAIPSSA-N 0 1 382.451 3.005 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)[C@@H]1CCN(c2ccccc2)C1=O ZINC001598509471 992551699 /nfs/dbraw/zinc/55/16/99/992551699.db2.gz BRUYWEANBMJPPU-LJQANCHMSA-N 0 1 375.428 3.170 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001598510582 992563993 /nfs/dbraw/zinc/56/39/93/992563993.db2.gz PQGZKEFVTUEQCS-LJQANCHMSA-N 0 1 393.418 3.309 20 0 GGADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001598511222 992569168 /nfs/dbraw/zinc/56/91/68/992569168.db2.gz JAHGIQSUCHBONB-OAQYLSRUSA-N 0 1 395.503 3.437 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001598515406 992611688 /nfs/dbraw/zinc/61/16/88/992611688.db2.gz HXGZPYVPBOCHLZ-HNNXBMFYSA-N 0 1 377.485 3.249 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC001598515487 992612918 /nfs/dbraw/zinc/61/29/18/992612918.db2.gz JUFBUITVYHOWRA-QGZVFWFLSA-N 0 1 397.244 3.021 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)C[C@](C)(O)c1ccc(Br)cc1F ZINC001598515485 992613086 /nfs/dbraw/zinc/61/30/86/992613086.db2.gz JUFBUITVYHOWRA-KRWDZBQOSA-N 0 1 397.244 3.021 20 0 GGADMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H](CO)c1cccc(Br)c1 ZINC001598518019 992642645 /nfs/dbraw/zinc/64/26/45/992642645.db2.gz PNVDVQQLKATYRH-WAVCKPEOSA-N 0 1 380.238 3.305 20 0 GGADMN C[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)[C@@H](CO)c1cccc(Br)c1 ZINC001598518019 992642641 /nfs/dbraw/zinc/64/26/41/992642641.db2.gz PNVDVQQLKATYRH-WAVCKPEOSA-N 0 1 380.238 3.305 20 0 GGADMN C[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1N1CCOCC1 ZINC001598518191 992644384 /nfs/dbraw/zinc/64/43/84/992644384.db2.gz UDBWMQAFNPKAHR-UHFFFAOYSA-N 0 1 380.488 3.271 20 0 GGADMN C[N@@H+](Cc1ccc(I)c(Cl)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598519480 992661354 /nfs/dbraw/zinc/66/13/54/992661354.db2.gz SKYVVUASVRSRER-AOOOYVTPSA-N 0 1 379.625 3.240 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001598523387 992687982 /nfs/dbraw/zinc/68/79/82/992687982.db2.gz CQUVXVVHLDIPHI-KRWDZBQOSA-N 0 1 383.366 3.334 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001598523412 992688105 /nfs/dbraw/zinc/68/81/05/992688105.db2.gz DWHFMKYYZKOTIF-NRFANRHFSA-N 0 1 379.456 3.339 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC001598524131 992697527 /nfs/dbraw/zinc/69/75/27/992697527.db2.gz YUVWKBOHXOXJNM-UHFFFAOYSA-N 0 1 386.839 3.016 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001591549385 992732487 /nfs/dbraw/zinc/73/24/87/992732487.db2.gz GAKQTBWPNSHCQC-UHFFFAOYSA-N 0 1 385.464 3.426 20 0 GGADMN C[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598527245 992735783 /nfs/dbraw/zinc/73/57/83/992735783.db2.gz WTGJWDGSJFEEKL-QGZVFWFLSA-N 0 1 378.469 3.488 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCCc1ccccc1C(=O)[O-])C1CC1 ZINC001598527552 992738726 /nfs/dbraw/zinc/73/87/26/992738726.db2.gz QXNKYUUEDGBSKS-OAQYLSRUSA-N 0 1 395.503 3.137 20 0 GGADMN CN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598527602 992740630 /nfs/dbraw/zinc/74/06/30/992740630.db2.gz VQONVRIGVXUFEB-KDURUIRLSA-N 0 1 387.524 3.326 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC001598527801 992742662 /nfs/dbraw/zinc/74/26/62/992742662.db2.gz ZZHCOHOTHQTEOV-HXUWFJFHSA-N 0 1 397.475 3.182 20 0 GGADMN Cn1nccc1[C@@H](NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001598528504 992747833 /nfs/dbraw/zinc/74/78/33/992747833.db2.gz CTXWNIGMMURBNG-IFMALSPDSA-N 0 1 392.503 3.051 20 0 GGADMN CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001591555830 992748588 /nfs/dbraw/zinc/74/85/88/992748588.db2.gz MSRFCYRVSZQMOA-ZDUSSCGKSA-N 0 1 390.509 3.036 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598528742 992750885 /nfs/dbraw/zinc/75/08/85/992750885.db2.gz KXBSRPJLWNIRRP-FQEVSTJZSA-N 0 1 395.503 3.364 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001598529263 992758386 /nfs/dbraw/zinc/75/83/86/992758386.db2.gz YGYHSMUWBWJYCL-UHFFFAOYSA-N 0 1 375.375 3.011 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1F ZINC001591560710 992758483 /nfs/dbraw/zinc/75/84/83/992758483.db2.gz FGANRINGINYEKI-HXUWFJFHSA-N 0 1 379.476 3.186 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1F ZINC001591560810 992758943 /nfs/dbraw/zinc/75/89/43/992758943.db2.gz LUPVPKIGANLMEN-HUUCEWRRSA-N 0 1 379.476 3.184 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001598529528 992762071 /nfs/dbraw/zinc/76/20/71/992762071.db2.gz DBVVYGZSAHXITD-QTEQDKRBSA-N 0 1 378.472 3.302 20 0 GGADMN C[N@@H+](Cc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])nn1)C1CCCCC1 ZINC001598529654 992762806 /nfs/dbraw/zinc/76/28/06/992762806.db2.gz RGVMCEKOSGOONB-UHFFFAOYSA-N 0 1 397.479 3.261 20 0 GGADMN C[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001598531326 992783950 /nfs/dbraw/zinc/78/39/50/992783950.db2.gz KCEBWJZUEGDJJK-UHFFFAOYSA-N 0 1 385.464 3.421 20 0 GGADMN C[N@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H](CC(N)=O)c1ccccc1 ZINC001598533368 992815380 /nfs/dbraw/zinc/81/53/80/992815380.db2.gz JLXBAULBWQJWHF-SFHVURJKSA-N 0 1 379.416 3.088 20 0 GGADMN C[N@@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H](CC(N)=O)c1ccccc1 ZINC001598533368 992815383 /nfs/dbraw/zinc/81/53/83/992815383.db2.gz JLXBAULBWQJWHF-SFHVURJKSA-N 0 1 379.416 3.088 20 0 GGADMN C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598533536 992818110 /nfs/dbraw/zinc/81/81/10/992818110.db2.gz MTRJFOAFFZSKLF-UHFFFAOYSA-N 0 1 378.476 3.399 20 0 GGADMN C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598533536 992818115 /nfs/dbraw/zinc/81/81/15/992818115.db2.gz MTRJFOAFFZSKLF-UHFFFAOYSA-N 0 1 378.476 3.399 20 0 GGADMN C[N@H+](Cc1csc(C(=O)[O-])c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001598536527 992845858 /nfs/dbraw/zinc/84/58/58/992845858.db2.gz ZRLVAVCOGLHJLH-ZDUSSCGKSA-N 0 1 389.395 3.337 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)C1 ZINC001591622838 992891320 /nfs/dbraw/zinc/89/13/20/992891320.db2.gz IMWDPZWVNCZVNQ-SNVBAGLBSA-N 0 1 387.249 3.345 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccc(F)c(F)c1 ZINC001591622924 992892634 /nfs/dbraw/zinc/89/26/34/992892634.db2.gz LOXHHQIQHYVVMM-WBVHZDCISA-N 0 1 378.375 3.210 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccc(F)c(F)c1 ZINC001591622924 992892642 /nfs/dbraw/zinc/89/26/42/992892642.db2.gz LOXHHQIQHYVVMM-WBVHZDCISA-N 0 1 378.375 3.210 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)C1 ZINC001591623139 992893915 /nfs/dbraw/zinc/89/39/15/992893915.db2.gz OLAYFWIIJLYWRI-HOCLYGCPSA-N 0 1 397.313 3.202 20 0 GGADMN C[N@@H+](Cc1oc(Br)cc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC001598541144 992902274 /nfs/dbraw/zinc/90/22/74/992902274.db2.gz JHFBOBZCFDTQDG-SNVBAGLBSA-N 0 1 382.210 3.012 20 0 GGADMN C[N@H+](Cc1oc(Br)cc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC001598541144 992902281 /nfs/dbraw/zinc/90/22/81/992902281.db2.gz JHFBOBZCFDTQDG-SNVBAGLBSA-N 0 1 382.210 3.012 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001591624093 992904400 /nfs/dbraw/zinc/90/44/00/992904400.db2.gz JWDAEPHXVSTSKV-QFBILLFUSA-N 0 1 387.524 3.224 20 0 GGADMN CC(C)[N@H+]1CCCC[C@H]1CSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001591629025 992917014 /nfs/dbraw/zinc/91/70/14/992917014.db2.gz DRDVGGTZXRKDEP-HNNXBMFYSA-N 0 1 389.521 3.226 20 0 GGADMN CC(C)N1CC[NH+](C2CCN(Cc3c(Cl)cccc3C(=O)[O-])CC2)CC1 ZINC001591629518 992922905 /nfs/dbraw/zinc/92/29/05/992922905.db2.gz BOLQHRBPEOABMO-UHFFFAOYSA-N 0 1 379.932 3.029 20 0 GGADMN CC(C)N1CC[NH+](C2CCN(Cc3cccc(C(=O)[O-])c3Cl)CC2)CC1 ZINC001591629512 992923173 /nfs/dbraw/zinc/92/31/73/992923173.db2.gz AZMUUFMRUOXKTR-UHFFFAOYSA-N 0 1 379.932 3.029 20 0 GGADMN CC(C)N1CC[NH+](C2CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)CC1 ZINC001591629887 992927778 /nfs/dbraw/zinc/92/77/78/992927778.db2.gz IPNGCHZKUWZSAE-UHFFFAOYSA-N 0 1 379.932 3.029 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2ccc(C(=O)[O-])o2)C1 ZINC001591635859 992945890 /nfs/dbraw/zinc/94/58/90/992945890.db2.gz SFABFMAOMACQDS-UHFFFAOYSA-N 0 1 396.443 3.442 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N([C@H](C)C(=O)[O-])C2CCC2)C1 ZINC001591635874 992946334 /nfs/dbraw/zinc/94/63/34/992946334.db2.gz SVKYRFWHKMZEPF-MRXNPFEDSA-N 0 1 397.519 3.262 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)C1 ZINC001591635846 992946668 /nfs/dbraw/zinc/94/66/68/992946668.db2.gz RJEMAJBYYBCZRS-QHCPKHFHSA-N 0 1 397.519 3.167 20 0 GGADMN CN1C(=O)CCc2cc(C[N@H+]3CCC[C@@H](c4ncc(C(=O)[O-])s4)C3)ccc21 ZINC001598552846 993023039 /nfs/dbraw/zinc/02/30/39/993023039.db2.gz ZKGAXEJQJTYPFK-OAHLLOKOSA-N 0 1 385.489 3.130 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001598555858 993056169 /nfs/dbraw/zinc/05/61/69/993056169.db2.gz UCIZVZCRRYLTEU-GHTZIAJQSA-N 0 1 391.471 3.211 20 0 GGADMN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4ccnc(C(=O)[O-])c4)cc3)[C@H]2C1 ZINC001598572785 993225988 /nfs/dbraw/zinc/22/59/88/993225988.db2.gz AOGVQGZGJSKMEL-KKXDTOCCSA-N 0 1 396.447 3.034 20 0 GGADMN C[N@H+]1C[C@@]23CN([C@@H](C(=O)[O-])c4cccc(Br)c4)C[C@]2(C1)CCCC3 ZINC001598574393 993251810 /nfs/dbraw/zinc/25/18/10/993251810.db2.gz WBODBQQSPOBMNV-QRQLOZEOSA-N 0 1 393.325 3.383 20 0 GGADMN C[N@H+]1C[C@H]2CCN(C(=O)Nc3ccc(Cl)cc3SCCC(=O)[O-])[C@H]2C1 ZINC001598574984 993260462 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COc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)O2 ZINC001599627127 994165055 /nfs/dbraw/zinc/16/50/55/994165055.db2.gz SCOUTASPZHERCY-FZKQIMNGSA-N 0 1 381.350 3.174 20 0 GGADMN COc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)O2 ZINC001599627126 994165249 /nfs/dbraw/zinc/16/52/49/994165249.db2.gz SCOUTASPZHERCY-ACJLOTCBSA-N 0 1 381.350 3.174 20 0 GGADMN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599628189 994179168 /nfs/dbraw/zinc/17/91/68/994179168.db2.gz GZENMKMJNJUANB-UTKZUKDTSA-N 0 1 385.460 3.143 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598632270 994189157 /nfs/dbraw/zinc/18/91/57/994189157.db2.gz UULVXQFFOJURCW-GOSISDBHSA-N 0 1 385.489 3.313 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598632270 994189161 /nfs/dbraw/zinc/18/91/61/994189161.db2.gz UULVXQFFOJURCW-GOSISDBHSA-N 0 1 385.489 3.313 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])c1ccccc1 ZINC001593207602 994218209 /nfs/dbraw/zinc/21/82/09/994218209.db2.gz DBAWVOSGXIYMOH-VCBZYWHSSA-N 0 1 380.444 3.284 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC001593209220 994235817 /nfs/dbraw/zinc/23/58/17/994235817.db2.gz LMDQGCLCAAAESK-ISVAXAHUSA-N 0 1 388.276 3.062 20 0 GGADMN COc1ccc2c(c1)[nH+]c(NC[C@H]1[C@H](C(=O)[O-])C1(F)F)n2Cc1ccccc1 ZINC001599634007 994260262 /nfs/dbraw/zinc/26/02/62/994260262.db2.gz QSQPTLYIKPBORI-WMLDXEAASA-N 0 1 387.386 3.471 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC001593211169 994261937 /nfs/dbraw/zinc/26/19/37/994261937.db2.gz VORKDLCXEBPWEO-NHYWBVRUSA-N 0 1 387.823 3.094 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC001593211165 994262929 /nfs/dbraw/zinc/26/29/29/994262929.db2.gz VORKDLCXEBPWEO-ABAIWWIYSA-N 0 1 387.823 3.094 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC001593211427 994266350 /nfs/dbraw/zinc/26/63/50/994266350.db2.gz XDIKZLIHCWYEHY-KUHUBIRLSA-N 0 1 395.484 3.423 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599635331 994279433 /nfs/dbraw/zinc/27/94/33/994279433.db2.gz MJAMQMWVSFAWFW-WAIKUNEKSA-N 0 1 398.503 3.382 20 0 GGADMN COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3C[C@@H]3CC(C(=O)[O-])=C(C)O3)n2)c1 ZINC001599638354 994321792 /nfs/dbraw/zinc/32/17/92/994321792.db2.gz KAXZPYBODFGSLG-QFBILLFUSA-N 0 1 383.448 3.370 20 0 GGADMN COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3C[C@@H]3CC(C(=O)[O-])=C(C)O3)n2)c1 ZINC001599638354 994321805 /nfs/dbraw/zinc/32/18/05/994321805.db2.gz KAXZPYBODFGSLG-QFBILLFUSA-N 0 1 383.448 3.370 20 0 GGADMN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598643050 994342931 /nfs/dbraw/zinc/34/29/31/994342931.db2.gz WBDFSHWTRZYJST-GOEBONIOSA-N 0 1 386.414 3.144 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc(C(=O)[O-])co1 ZINC001593230802 994367107 /nfs/dbraw/zinc/36/71/07/994367107.db2.gz GDPSKIAONCDACQ-GWCFXTLKSA-N 0 1 382.338 3.453 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001599646584 994433786 /nfs/dbraw/zinc/43/37/86/994433786.db2.gz ANFUQIRPPCOAAY-KRWDZBQOSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC001599647182 994441654 /nfs/dbraw/zinc/44/16/54/994441654.db2.gz NMUXICFIXYQXDY-CRAIPNDOSA-N 0 1 376.497 3.037 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC001599647184 994441804 /nfs/dbraw/zinc/44/18/04/994441804.db2.gz NMUXICFIXYQXDY-QAPCUYQASA-N 0 1 376.497 3.037 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC[C@H]2Sc3ccccc3NC2=O)c1 ZINC001599647348 994444329 /nfs/dbraw/zinc/44/43/29/994444329.db2.gz PICQYADYPBEWSW-MSOLQXFVSA-N 0 1 386.473 3.256 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001599647368 994444555 /nfs/dbraw/zinc/44/45/55/994444555.db2.gz PZQFRKKONXTIES-PBHICJAKSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001599648074 994454203 /nfs/dbraw/zinc/45/42/03/994454203.db2.gz YQTVBWVQIXIECM-GOSISDBHSA-N 0 1 376.497 3.037 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC001593246737 994457088 /nfs/dbraw/zinc/45/70/88/994457088.db2.gz OJXXLMAHJLVGNZ-RHSMWYFYSA-N 0 1 382.416 3.130 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001599650260 994487347 /nfs/dbraw/zinc/48/73/47/994487347.db2.gz LPBHUPPCVXPBES-XOKHGSTOSA-N 0 1 378.469 3.056 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC001599651069 994500456 /nfs/dbraw/zinc/50/04/56/994500456.db2.gz RJNIGAPEIICYFO-LJQANCHMSA-N 0 1 383.400 3.073 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC001599651115 994501105 /nfs/dbraw/zinc/50/11/05/994501105.db2.gz SJXATMRVGGVHTB-SFHVURJKSA-N 0 1 386.839 3.187 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC001599651208 994503169 /nfs/dbraw/zinc/50/31/69/994503169.db2.gz SAFZKTBUZHIZHY-OAHLLOKOSA-N 0 1 383.370 3.442 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC001599651182 994503728 /nfs/dbraw/zinc/50/37/28/994503728.db2.gz SAFZKTBUZHIZHY-HNNXBMFYSA-N 0 1 383.370 3.442 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001599651388 994508004 /nfs/dbraw/zinc/50/80/04/994508004.db2.gz XTVBAXWVNZGENU-LESCRADOSA-N 0 1 392.496 3.446 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001599651549 994511189 /nfs/dbraw/zinc/51/11/89/994511189.db2.gz ZNRIAIJTCIYJRM-QGPMSJSTSA-N 0 1 392.496 3.256 20 0 GGADMN CNC(=O)c1ccc(C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C2CC2)cc1 ZINC001598657866 994551822 /nfs/dbraw/zinc/55/18/22/994551822.db2.gz PLPAOXNSDPVZHA-UHFFFAOYSA-N 0 1 381.476 3.047 20 0 GGADMN CNC(=O)c1ccc(C[N@@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])cc1 ZINC001598658134 994554817 /nfs/dbraw/zinc/55/48/17/994554817.db2.gz UUBZZCJTYMVTGF-UHFFFAOYSA-N 0 1 383.423 3.007 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1 ZINC001599655425 994571503 /nfs/dbraw/zinc/57/15/03/994571503.db2.gz QMEZSDWKWWUHTG-ZWKOTPCHSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2csc(N(C)C3CC3)n2)c1 ZINC001599655650 994575823 /nfs/dbraw/zinc/57/58/23/994575823.db2.gz NASCBZQIXSURKL-LJQANCHMSA-N 0 1 375.494 3.230 20 0 GGADMN C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593268518 994594704 /nfs/dbraw/zinc/59/47/04/994594704.db2.gz VVQQNKYJLYCTHS-SNVBAGLBSA-N 0 1 388.898 3.009 20 0 GGADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])n(C)c1)c1cc2c(cc1Br)OCCO2 ZINC001593289726 994666320 /nfs/dbraw/zinc/66/63/20/994666320.db2.gz WEZQHXQHBIAZIY-JTQLQIEISA-N 0 1 395.253 3.108 20 0 GGADMN C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc(C(=O)[O-])co1 ZINC001593293901 994686479 /nfs/dbraw/zinc/68/64/79/994686479.db2.gz YTKLWYNWXZXUIA-VIFPVBQESA-N 0 1 391.367 3.251 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001593296209 994694788 /nfs/dbraw/zinc/69/47/88/994694788.db2.gz JYHRLQCQYOQENA-CQSZACIVSA-N 0 1 385.439 3.241 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001593296207 994695791 /nfs/dbraw/zinc/69/57/91/994695791.db2.gz JYHRLQCQYOQENA-AWEZNQCLSA-N 0 1 385.439 3.241 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC001599664821 994711523 /nfs/dbraw/zinc/71/15/23/994711523.db2.gz DFSMGHABTGDATL-UXHICEINSA-N 0 1 395.459 3.493 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593298325 994714101 /nfs/dbraw/zinc/71/41/01/994714101.db2.gz IGEPHGPUSJURBG-GFCCVEGCSA-N 0 1 397.880 3.058 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(I)s1)c1ncc(C(=O)[O-])s1 ZINC001593299793 994725741 /nfs/dbraw/zinc/72/57/41/994725741.db2.gz WGCIOPMNJKPZFH-ZCFIWIBFSA-N 0 1 394.259 3.358 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ncc(C(=O)[O-])s1 ZINC001593305392 994763532 /nfs/dbraw/zinc/76/35/32/994763532.db2.gz YWGQLYQIQUPMED-ZDUSSCGKSA-N 0 1 376.478 3.388 20 0 GGADMN C[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccc2c(c1)CCCO2 ZINC001593311251 994779601 /nfs/dbraw/zinc/77/96/01/994779601.db2.gz DMNRDXCQTYHEQT-GFCCVEGCSA-N 0 1 379.416 3.209 20 0 GGADMN C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311539 994784345 /nfs/dbraw/zinc/78/43/45/994784345.db2.gz HLPOCZCYBCZNAW-LLVKDONJSA-N 0 1 387.823 3.303 20 0 GGADMN C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311649 994785764 /nfs/dbraw/zinc/78/57/64/994785764.db2.gz SAUKRYDTPLKCRD-ZDUSSCGKSA-N 0 1 386.839 3.235 20 0 GGADMN COc1cccc(C[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])CC(C)C)c1 ZINC001599671026 994812083 /nfs/dbraw/zinc/81/20/83/994812083.db2.gz UYXIXCZJMNICFP-ODLFYWEKSA-N 0 1 392.521 3.045 20 0 GGADMN COc1cccc(CCC[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001599671572 994821821 /nfs/dbraw/zinc/82/18/21/994821821.db2.gz CCHJRTIWWWNFFI-SFHVURJKSA-N 0 1 392.496 3.024 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001599671734 994824673 /nfs/dbraw/zinc/82/46/73/994824673.db2.gz MSSGCXFGIBEMSW-SFHVURJKSA-N 0 1 382.460 3.347 20 0 GGADMN COc1cccc(COc2ccc(C[N@@H+]3CC[C@@H](OC)C[C@@H]3C(=O)[O-])cc2)c1 ZINC001599677200 994916577 /nfs/dbraw/zinc/91/65/77/994916577.db2.gz UDBZQALWZDPDDY-NHCUHLMSSA-N 0 1 385.460 3.338 20 0 GGADMN C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593362249 995030581 /nfs/dbraw/zinc/03/05/81/995030581.db2.gz FJCWXBCLSKHVCB-INIZCTEOSA-N 0 1 381.476 3.492 20 0 GGADMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001598688794 995032473 /nfs/dbraw/zinc/03/24/73/995032473.db2.gz IOLUPNLNWBJNFR-SJORKVTESA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001598688787 995032903 /nfs/dbraw/zinc/03/29/03/995032903.db2.gz IOLUPNLNWBJNFR-DLBZAZTESA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC001598691480 995073521 /nfs/dbraw/zinc/07/35/21/995073521.db2.gz XWAHZDNCGZKOTA-IAGOWNOFSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(=O)[O-])c1 ZINC001598708887 995323000 /nfs/dbraw/zinc/32/30/00/995323000.db2.gz QHSOJWLQTVWAHA-OFNKIYASSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001598712773 995367353 /nfs/dbraw/zinc/36/73/53/995367353.db2.gz MMDLYZNUPFIYTO-KDOFPFPSSA-N 0 1 388.489 3.039 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001598713749 995379447 /nfs/dbraw/zinc/37/94/47/995379447.db2.gz REDLEKLSYSASQR-MOPGFXCFSA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)[C@@H]1[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740719 995560390 /nfs/dbraw/zinc/56/03/90/995560390.db2.gz GAZBHSFBUHTKLC-ZHAHWJHGSA-N 0 1 382.190 3.105 20 0 GGADMN C[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccc(C(=O)[O-])o1 ZINC001593599118 995745694 /nfs/dbraw/zinc/74/56/94/995745694.db2.gz CMLZUQSJDXXKKO-VIFPVBQESA-N 0 1 377.303 3.414 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615316 995832044 /nfs/dbraw/zinc/83/20/44/995832044.db2.gz HEHFAHMJEVEBPX-MPGHIAIKSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593616365 995847968 /nfs/dbraw/zinc/84/79/68/995847968.db2.gz YJKZQIWBXIZWCD-FUHWJXTLSA-N 0 1 382.460 3.023 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772871 995900211 /nfs/dbraw/zinc/90/02/11/995900211.db2.gz AVECWNMSNGLILK-MAUKXSAKSA-N 0 1 387.407 3.456 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772869 995900544 /nfs/dbraw/zinc/90/05/44/995900544.db2.gz AVECWNMSNGLILK-CRAIPNDOSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C(=O)[O-] ZINC001593644219 995958518 /nfs/dbraw/zinc/95/85/18/995958518.db2.gz FWWRWZUROFAPJR-INIZCTEOSA-N 0 1 392.459 3.284 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644486 995962513 /nfs/dbraw/zinc/96/25/13/995962513.db2.gz KXZARTZFPMOJFQ-LPHOPBHVSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644486 995962518 /nfs/dbraw/zinc/96/25/18/995962518.db2.gz KXZARTZFPMOJFQ-LPHOPBHVSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001593644484 995962640 /nfs/dbraw/zinc/96/26/40/995962640.db2.gz KWHKROQJEZBRKX-LBPRGKRZSA-N 0 1 379.359 3.492 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001593644484 995962646 /nfs/dbraw/zinc/96/26/46/995962646.db2.gz KWHKROQJEZBRKX-LBPRGKRZSA-N 0 1 379.359 3.492 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644480 995962828 /nfs/dbraw/zinc/96/28/28/995962828.db2.gz KWGZNRSHKAPBTM-NVXWUHKLSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593644774 995966112 /nfs/dbraw/zinc/96/61/12/995966112.db2.gz MXVRMHWOVJUUMY-DOTOQJQBSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1)C(=O)[O-] ZINC001593645938 995978622 /nfs/dbraw/zinc/97/86/22/995978622.db2.gz UIDHHWAAOPDDKF-BEFAXECRSA-N 0 1 382.460 3.464 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1)C(=O)[O-] ZINC001593645948 995978831 /nfs/dbraw/zinc/97/88/31/995978831.db2.gz UIDHHWAAOPDDKF-KXBFYZLASA-N 0 1 382.460 3.464 20 0 GGADMN C[C@@H](Oc1ccccc1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C(=O)[O-] ZINC001593645998 995979476 /nfs/dbraw/zinc/97/94/76/995979476.db2.gz USZXHTFKNBJYRH-NQIIRXRSSA-N 0 1 382.504 3.287 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646683 995987893 /nfs/dbraw/zinc/98/78/93/995987893.db2.gz ZXZHDDFYWQGFJB-HLLBOEOZSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593661536 996038313 /nfs/dbraw/zinc/03/83/13/996038313.db2.gz FNTKNXMKRMAOBC-MRXNPFEDSA-N 0 1 386.517 3.255 20 0 GGADMN C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593663301 996044601 /nfs/dbraw/zinc/04/46/01/996044601.db2.gz KXZJVSUVYMACDF-VQIMIIECSA-N 0 1 398.528 3.397 20 0 GGADMN COC(=O)[C@H]1CCCC[C@H]1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598788479 996050763 /nfs/dbraw/zinc/05/07/63/996050763.db2.gz PRCGRICKCIWSJE-LEUOFYLZSA-N 0 1 379.884 3.419 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598788481 996050940 /nfs/dbraw/zinc/05/09/40/996050940.db2.gz PRCGRICKCIWSJE-XOYOTBSWSA-N 0 1 379.884 3.419 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001593672975 996080451 /nfs/dbraw/zinc/08/04/51/996080451.db2.gz NVUQEKOEKXZKHG-SUMDDJOVSA-N 0 1 398.528 3.327 20 0 GGADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001593686681 996124102 /nfs/dbraw/zinc/12/41/02/996124102.db2.gz LUYQHEKQUKJAPT-BEFAXECRSA-N 0 1 392.455 3.464 20 0 GGADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689299 996132080 /nfs/dbraw/zinc/13/20/80/996132080.db2.gz GACLUMPDTDJWKM-NWDGAFQWSA-N 0 1 377.828 3.438 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC001598800012 996132335 /nfs/dbraw/zinc/13/23/35/996132335.db2.gz LXNZWEANIRQZGJ-RWDIZSIFSA-N 0 1 387.476 3.217 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC001598800009 996132414 /nfs/dbraw/zinc/13/24/14/996132414.db2.gz LXNZWEANIRQZGJ-AIIUMHCMSA-N 0 1 387.476 3.217 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001593693074 996142370 /nfs/dbraw/zinc/14/23/70/996142370.db2.gz JFRFWNQWSYJGRK-FCLVOEFKSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC001593693813 996146394 /nfs/dbraw/zinc/14/63/94/996146394.db2.gz OGIBRHKQPZLBDT-MRXNPFEDSA-N 0 1 388.895 3.489 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001593693813 996146395 /nfs/dbraw/zinc/14/63/95/996146395.db2.gz OGIBRHKQPZLBDT-MRXNPFEDSA-N 0 1 388.895 3.489 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC001593693806 996146455 /nfs/dbraw/zinc/14/64/55/996146455.db2.gz OGIBRHKQPZLBDT-INIZCTEOSA-N 0 1 388.895 3.489 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001593693806 996146457 /nfs/dbraw/zinc/14/64/57/996146457.db2.gz OGIBRHKQPZLBDT-INIZCTEOSA-N 0 1 388.895 3.489 20 0 GGADMN C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697089 996154365 /nfs/dbraw/zinc/15/43/65/996154365.db2.gz DKDIQXNKXAYXDM-XOBRGWDASA-N 0 1 397.450 3.112 20 0 GGADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697089 996154369 /nfs/dbraw/zinc/15/43/69/996154369.db2.gz DKDIQXNKXAYXDM-XOBRGWDASA-N 0 1 397.450 3.112 20 0 GGADMN C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697085 996154435 /nfs/dbraw/zinc/15/44/35/996154435.db2.gz DKDIQXNKXAYXDM-JLTOFOAXSA-N 0 1 397.450 3.112 20 0 GGADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697085 996154438 /nfs/dbraw/zinc/15/44/38/996154438.db2.gz DKDIQXNKXAYXDM-JLTOFOAXSA-N 0 1 397.450 3.112 20 0 GGADMN C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593697782 996158005 /nfs/dbraw/zinc/15/80/05/996158005.db2.gz OSKPYNQYGWZIEQ-DOMZBBRYSA-N 0 1 396.434 3.279 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001593697838 996158416 /nfs/dbraw/zinc/15/84/16/996158416.db2.gz QSOWXUPSTMCBGH-CYBMUJFWSA-N 0 1 394.518 3.179 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698356 996163449 /nfs/dbraw/zinc/16/34/49/996163449.db2.gz YBIDEZXMGDBMGQ-XOBRGWDASA-N 0 1 382.435 3.244 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698356 996163451 /nfs/dbraw/zinc/16/34/51/996163451.db2.gz YBIDEZXMGDBMGQ-XOBRGWDASA-N 0 1 382.435 3.244 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC001598803691 996163842 /nfs/dbraw/zinc/16/38/42/996163842.db2.gz NUSAULLVRDCZCN-AEFFLSMTSA-N 0 1 384.432 3.021 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001593698468 996164620 /nfs/dbraw/zinc/16/46/20/996164620.db2.gz YEXVVEZTMKJCBZ-HHXXYDBFSA-N 0 1 394.537 3.110 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001598804139 996167842 /nfs/dbraw/zinc/16/78/42/996167842.db2.gz QOKBSCDVXWVUFK-WCQYABFASA-N 0 1 377.384 3.137 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001598804137 996167889 /nfs/dbraw/zinc/16/78/89/996167889.db2.gz QOKBSCDVXWVUFK-AAEUAGOBSA-N 0 1 377.384 3.137 20 0 GGADMN C[C@H](c1ccc(NC(=O)NCc2ccc(C(=O)[O-])s2)cc1)[NH+]1CCOCC1 ZINC001593700228 996175707 /nfs/dbraw/zinc/17/57/07/996175707.db2.gz ZEGDDWSUTCECRB-CYBMUJFWSA-N 0 1 389.477 3.161 20 0 GGADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001593703206 996179082 /nfs/dbraw/zinc/17/90/82/996179082.db2.gz LOXKPUNOAGWSHQ-BTCOZLQPSA-N 0 1 394.471 3.423 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598806032 996187519 /nfs/dbraw/zinc/18/75/19/996187519.db2.gz YRZXHCQROAEWEE-HNAYVOBHSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711701 996213651 /nfs/dbraw/zinc/21/36/51/996213651.db2.gz WWYPOCAUSHLQGE-LPHOPBHVSA-N 0 1 397.475 3.497 20 0 GGADMN C[C@H](c1cccs1)[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001593723271 996256778 /nfs/dbraw/zinc/25/67/78/996256778.db2.gz PPTVGVAPUCOROE-ACJLOTCBSA-N 0 1 385.489 3.476 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593724999 996272721 /nfs/dbraw/zinc/27/27/21/996272721.db2.gz KVHDTOFCCJQRKW-CHWSQXEVSA-N 0 1 390.415 3.107 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593724999 996272725 /nfs/dbraw/zinc/27/27/25/996272725.db2.gz KVHDTOFCCJQRKW-CHWSQXEVSA-N 0 1 390.415 3.107 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001593725537 996278592 /nfs/dbraw/zinc/27/85/92/996278592.db2.gz RLHVQRVHCGJTON-JZKQVHKSSA-N 0 1 393.484 3.451 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001593726030 996285871 /nfs/dbraw/zinc/28/58/71/996285871.db2.gz YAOSTPPNZJBLSP-UKRRQHHQSA-N 0 1 393.484 3.403 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001593731405 996301925 /nfs/dbraw/zinc/30/19/25/996301925.db2.gz FUIDSOLCSKIKCI-STQMWFEESA-N 0 1 383.514 3.481 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001593731405 996301932 /nfs/dbraw/zinc/30/19/32/996301932.db2.gz FUIDSOLCSKIKCI-STQMWFEESA-N 0 1 383.514 3.481 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001593738158 996343939 /nfs/dbraw/zinc/34/39/39/996343939.db2.gz XICCCDITIQSCAS-UPJWGTAASA-N 0 1 381.498 3.091 20 0 GGADMN COC(=O)[C@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])Cc2ccccc21 ZINC001598826366 996386728 /nfs/dbraw/zinc/38/67/28/996386728.db2.gz GSKSADLBWKDONR-SFHVURJKSA-N 0 1 396.418 3.288 20 0 GGADMN C[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001593767481 996449415 /nfs/dbraw/zinc/44/94/15/996449415.db2.gz BTPDONIDHMIAST-DENIHFKCSA-N 0 1 387.524 3.185 20 0 GGADMN C[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001593768558 996453802 /nfs/dbraw/zinc/45/38/02/996453802.db2.gz MRBRBUSBGIAYCO-DENIHFKCSA-N 0 1 399.535 3.185 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001593769567 996457046 /nfs/dbraw/zinc/45/70/46/996457046.db2.gz SFUCKPZTYVTJBI-AWWSKVOZSA-N 0 1 399.535 3.183 20 0 GGADMN COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001598833766 996463888 /nfs/dbraw/zinc/46/38/88/996463888.db2.gz DMIJEMHHPXFEAL-LHRLDOBGSA-N 0 1 387.476 3.217 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC001593776166 996476013 /nfs/dbraw/zinc/47/60/13/996476013.db2.gz GJCSRDBLWFBIRQ-QFBILLFUSA-N 0 1 398.425 3.383 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001593776847 996479819 /nfs/dbraw/zinc/47/98/19/996479819.db2.gz NSBNMNSZIPNTHJ-OAQYLSRUSA-N 0 1 399.516 3.499 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001593776844 996479989 /nfs/dbraw/zinc/47/99/89/996479989.db2.gz NSBNMNSZIPNTHJ-NRFANRHFSA-N 0 1 399.516 3.499 20 0 GGADMN COC(=O)/C=C/c1ccc(OCC[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001598835558 996481008 /nfs/dbraw/zinc/48/10/08/996481008.db2.gz ZXGFCAFHKBYYLA-LGQHIAMJSA-N 0 1 395.455 3.052 20 0 GGADMN CC1(C(=O)[O-])CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)C1 ZINC001593802990 996532318 /nfs/dbraw/zinc/53/23/18/996532318.db2.gz UWEQHZBWRTWRRX-HYBUGGRVSA-N 0 1 392.499 3.009 20 0 GGADMN CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593836786 996593502 /nfs/dbraw/zinc/59/35/02/996593502.db2.gz AQCXSTHXWGLCAX-QGZVFWFLSA-N 0 1 376.472 3.297 20 0 GGADMN CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593837292 996594663 /nfs/dbraw/zinc/59/46/63/996594663.db2.gz GNDNKPFCDJYFOP-ZDUSSCGKSA-N 0 1 389.402 3.265 20 0 GGADMN CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593837292 996594670 /nfs/dbraw/zinc/59/46/70/996594670.db2.gz GNDNKPFCDJYFOP-ZDUSSCGKSA-N 0 1 389.402 3.265 20 0 GGADMN CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC001593837733 996596102 /nfs/dbraw/zinc/59/61/02/996596102.db2.gz KHSLLFCWZWBVGL-INIZCTEOSA-N 0 1 396.413 3.192 20 0 GGADMN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC001593838237 996598105 /nfs/dbraw/zinc/59/81/05/996598105.db2.gz UDOMCQAGXXZFNL-MRXNPFEDSA-N 0 1 396.413 3.192 20 0 GGADMN CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593838530 996598608 /nfs/dbraw/zinc/59/86/08/996598608.db2.gz XSKGDKGVMOPOIO-OAHLLOKOSA-N 0 1 394.462 3.436 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC1CCC(C)(C)CC1)C[C@@H]2C(=O)[O-] ZINC001593876806 996698636 /nfs/dbraw/zinc/69/86/36/996698636.db2.gz RTXVQTWRFHSPIZ-MRXNPFEDSA-N 0 1 380.529 3.456 20 0 GGADMN CC1(C)CC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C[C@H]1c1ccccc1 ZINC001593912038 996808206 /nfs/dbraw/zinc/80/82/06/996808206.db2.gz UTPGQKWSSLNIKC-NFBGKYEXSA-N 0 1 388.533 3.394 20 0 GGADMN COC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001599175185 996829654 /nfs/dbraw/zinc/82/96/54/996829654.db2.gz ZSTPVEIXPUIGIM-INIZCTEOSA-N 0 1 396.365 3.319 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC001599380827 996840248 /nfs/dbraw/zinc/84/02/48/996840248.db2.gz NEWDGQHXXOKWKA-OALUTQOASA-N 0 1 385.460 3.279 20 0 GGADMN COCOc1ccc(OC)cc1C[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001599278059 996844048 /nfs/dbraw/zinc/84/40/48/996844048.db2.gz WZHKBTOFQIWILJ-SFHVURJKSA-N 0 1 399.365 3.353 20 0 GGADMN COCOc1ccc(OC)cc1C[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001599278059 996844061 /nfs/dbraw/zinc/84/40/61/996844061.db2.gz WZHKBTOFQIWILJ-SFHVURJKSA-N 0 1 399.365 3.353 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](OC)C[C@H]3C(=O)[O-])c2)cc1 ZINC001599486895 996865766 /nfs/dbraw/zinc/86/57/66/996865766.db2.gz FDBKMUPJJYYOGO-PMACEKPBSA-N 0 1 398.459 3.012 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001599076509 996882252 /nfs/dbraw/zinc/88/22/52/996882252.db2.gz OINQGKVRHOEJOY-ABKXIKBNSA-N 0 1 386.235 3.280 20 0 GGADMN COc1ccc(C(=O)[O-])c(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC001599489085 996906496 /nfs/dbraw/zinc/90/64/96/996906496.db2.gz FYRUCGJVJPZHSO-UHFFFAOYSA-N 0 1 383.448 3.052 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@H+](CC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1 ZINC001599077405 996909305 /nfs/dbraw/zinc/90/93/05/996909305.db2.gz HVJHMYKXYLICMD-KSFYIVLOSA-N 0 1 384.476 3.072 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1 ZINC001599077405 996909314 /nfs/dbraw/zinc/90/93/14/996909314.db2.gz HVJHMYKXYLICMD-KSFYIVLOSA-N 0 1 384.476 3.072 20 0 GGADMN COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001599490085 996922552 /nfs/dbraw/zinc/92/25/52/996922552.db2.gz SLAFEMJRJVZMOS-INIZCTEOSA-N 0 1 383.448 3.132 20 0 GGADMN COCc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(C(=O)[O-])c1 ZINC001599286894 996994879 /nfs/dbraw/zinc/99/48/79/996994879.db2.gz ATWPKUSCVOPZLQ-IBGZPJMESA-N 0 1 389.496 3.450 20 0 GGADMN COCc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc(C(=O)[O-])c1 ZINC001599286880 996995235 /nfs/dbraw/zinc/99/52/35/996995235.db2.gz AOGMEPRWHSDSPO-HNNXBMFYSA-N 0 1 377.485 3.021 20 0 GGADMN COc1cc([C@@H](C)[NH2+][C@H](C(=O)[O-])c2c(F)cccc2Cl)ccc1OCCO ZINC001599388950 996998060 /nfs/dbraw/zinc/99/80/60/996998060.db2.gz KDPHSSAURLJCRW-ZMZPIMSZSA-N 0 1 397.830 3.335 20 0 GGADMN COCc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287187 997000782 /nfs/dbraw/zinc/00/07/82/997000782.db2.gz HLCDNPYGROOQDR-RTBURBONSA-N 0 1 383.448 3.098 20 0 GGADMN COC1([C@H](C(=O)[O-])[N@H+]2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)CCC1 ZINC001599081233 997002433 /nfs/dbraw/zinc/00/24/33/997002433.db2.gz IZAOGKRBESZULM-MGPUTAFESA-N 0 1 398.544 3.272 20 0 GGADMN COCc1cc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287409 997003766 /nfs/dbraw/zinc/00/37/66/997003766.db2.gz MWSPCAYETZHTCN-DNVCBOLYSA-N 0 1 397.475 3.488 20 0 GGADMN COCc1cc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287411 997004486 /nfs/dbraw/zinc/00/44/86/997004486.db2.gz MWSPCAYETZHTCN-KXBFYZLASA-N 0 1 397.475 3.488 20 0 GGADMN COCc1cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001599287769 997009978 /nfs/dbraw/zinc/00/99/78/997009978.db2.gz RXOBMKGTAFRXAB-QGZVFWFLSA-N 0 1 397.475 3.175 20 0 GGADMN COCc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc(C(=O)[O-])c1 ZINC001599288153 997017439 /nfs/dbraw/zinc/01/74/39/997017439.db2.gz ZJCGHYOUXDYKEV-LJQANCHMSA-N 0 1 397.475 3.236 20 0 GGADMN COC1([C@@H](C(=O)[O-])[N@H+]2CCc3c(Cl)ccc(Br)c3C2)CCC1 ZINC001599084074 997063761 /nfs/dbraw/zinc/06/37/61/997063761.db2.gz SHRMAWVVHKCSMQ-CQSZACIVSA-N 0 1 388.689 3.483 20 0 GGADMN COC[C@@]1(C(=O)[O-])CCCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC001599188045 997066589 /nfs/dbraw/zinc/06/65/89/997066589.db2.gz LMQSQTIWXFBBPM-VOIUYBSRSA-N 0 1 394.320 3.057 20 0 GGADMN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1cnn(-c3ccccc3C)c1)CC2 ZINC001599498697 997068650 /nfs/dbraw/zinc/06/86/50/997068650.db2.gz XTJAANJPWCRHLB-UHFFFAOYSA-N 0 1 377.444 3.446 20 0 GGADMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1cnn(-c3ccccc3C)c1)CC2 ZINC001599498697 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3.171 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001599418532 997552286 /nfs/dbraw/zinc/55/22/86/997552286.db2.gz PMESLMPCDQZZBQ-UHFFFAOYSA-N 0 1 376.840 3.426 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001599418532 997552294 /nfs/dbraw/zinc/55/22/94/997552294.db2.gz PMESLMPCDQZZBQ-UHFFFAOYSA-N 0 1 376.840 3.426 20 0 GGADMN COc1ccc([C@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)[O-])c(OC)c1 ZINC001599526161 997563047 /nfs/dbraw/zinc/56/30/47/997563047.db2.gz FRXMZAUUTIBTJV-NRFANRHFSA-N 0 1 384.476 3.084 20 0 GGADMN COc1ccc([C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)[O-])c(OC)c1 ZINC001599526163 997563106 /nfs/dbraw/zinc/56/31/06/997563106.db2.gz FRXMZAUUTIBTJV-OAQYLSRUSA-N 0 1 384.476 3.084 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[O-])c(OC)c1 ZINC001599526490 997568796 /nfs/dbraw/zinc/56/87/96/997568796.db2.gz HRXNFXWHZDAVTP-NRJQMVOHSA-N 0 1 398.503 3.472 20 0 GGADMN COc1ccc([C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C(=O)[O-])c(OC)c1 ZINC001599526490 997568804 /nfs/dbraw/zinc/56/88/04/997568804.db2.gz HRXNFXWHZDAVTP-NRJQMVOHSA-N 0 1 398.503 3.472 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)C(=O)[O-])cc1 ZINC001599526637 997571416 /nfs/dbraw/zinc/57/14/16/997571416.db2.gz GKEVHDNYGGHOHU-LLVKDONJSA-N 0 1 377.750 3.016 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C(=O)[O-])c(OC)c1 ZINC001599527676 997590381 /nfs/dbraw/zinc/59/03/81/997590381.db2.gz OGNSCCKIBGEAEH-WJPUGNRLSA-N 0 1 384.476 3.255 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C(=O)[O-])c(OC)c1 ZINC001599527676 997590392 /nfs/dbraw/zinc/59/03/92/997590392.db2.gz OGNSCCKIBGEAEH-WJPUGNRLSA-N 0 1 384.476 3.255 20 0 GGADMN COc1ccc([C@H]([NH2+]CC(=O)NC2(C(=O)[O-])CCCCC2)c2ccccc2)cc1 ZINC001599528707 997609388 /nfs/dbraw/zinc/60/93/88/997609388.db2.gz XLEATENSSZQTSF-OAQYLSRUSA-N 0 1 396.487 3.278 20 0 GGADMN CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2nc3ccc(Br)cc3o2)C(=O)[O-])C1 ZINC001599115185 997639505 /nfs/dbraw/zinc/63/95/05/997639505.db2.gz WIUIEODKEVGUHZ-NSODJVPESA-N 0 1 397.269 3.338 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2cn(-c3ccncc3)nc2C)C(=O)[O-])cc1Cl ZINC001599530653 997644890 /nfs/dbraw/zinc/64/48/90/997644890.db2.gz GQWVYPJRHCTDIN-SFHVURJKSA-N 0 1 386.839 3.153 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cc(C(F)(F)F)n(C)n2)C(=O)[O-])cc1Cl ZINC001599531187 997656176 /nfs/dbraw/zinc/65/61/76/997656176.db2.gz HIRMRFHNBISUQJ-CYBMUJFWSA-N 0 1 377.750 3.016 20 0 GGADMN COCCC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC001599220461 997658170 /nfs/dbraw/zinc/65/81/70/997658170.db2.gz HUTZLQLNHMVXJG-CYBMUJFWSA-N 0 1 394.537 3.258 20 0 GGADMN C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001594041407 997660762 /nfs/dbraw/zinc/66/07/62/997660762.db2.gz IVAZNAHBSSQOIP-FQEVSTJZSA-N 0 1 394.462 3.266 20 0 GGADMN COCCC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC001599220879 997666067 /nfs/dbraw/zinc/66/60/67/997666067.db2.gz RAVOUEGBIJCLQY-UHFFFAOYSA-N 0 1 380.510 3.012 20 0 GGADMN C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594041874 997669297 /nfs/dbraw/zinc/66/92/97/997669297.db2.gz VHPLWFSVJKGNFL-FQEVSTJZSA-N 0 1 389.402 3.094 20 0 GGADMN C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594041874 997669300 /nfs/dbraw/zinc/66/93/00/997669300.db2.gz VHPLWFSVJKGNFL-FQEVSTJZSA-N 0 1 389.402 3.094 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C(=O)[O-])c(OC)c1 ZINC001599532546 997683016 /nfs/dbraw/zinc/68/30/16/997683016.db2.gz RHWDVCRWTQGNMT-MRXNPFEDSA-N 0 1 385.338 3.344 20 0 GGADMN COC(=O)c1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc(C(=O)[O-])c1 ZINC001598929623 997721780 /nfs/dbraw/zinc/72/17/80/997721780.db2.gz AMUBRQXYTFNMFK-FQEVSTJZSA-N 0 1 376.412 3.446 20 0 GGADMN COC(=O)c1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)cs1 ZINC001598929960 997728925 /nfs/dbraw/zinc/72/89/25/997728925.db2.gz IEFVMZWPPDQSTH-UHFFFAOYSA-N 0 1 384.251 3.285 20 0 GGADMN COC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)oc1C ZINC001598930035 997730895 /nfs/dbraw/zinc/73/08/95/997730895.db2.gz HWKVHTJWGXZPCU-DLBZAZTESA-N 0 1 377.824 3.328 20 0 GGADMN COC(=O)c1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001598930139 997732044 /nfs/dbraw/zinc/73/20/44/997732044.db2.gz XCGJCHBQPYSIJO-GHNFSYLKSA-N 0 1 387.476 3.341 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001599535348 997734330 /nfs/dbraw/zinc/73/43/30/997734330.db2.gz NTJWGQIHGITXQB-SYNHAJSKSA-N 0 1 382.460 3.478 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001599535458 997737125 /nfs/dbraw/zinc/73/71/25/997737125.db2.gz SXECODFJXSARKM-GOSISDBHSA-N 0 1 398.459 3.070 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001599535458 997737127 /nfs/dbraw/zinc/73/71/27/997737127.db2.gz SXECODFJXSARKM-GOSISDBHSA-N 0 1 398.459 3.070 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc(C(=O)[O-])c1 ZINC001598930691 997746135 /nfs/dbraw/zinc/74/61/35/997746135.db2.gz DKSZHNFFIPPEMX-SFHVURJKSA-N 0 1 389.835 3.478 20 0 GGADMN COC1CCN(C2(C[NH2+]Cc3ccccc3O[C@@H](C)C(=O)[O-])CCCC2)CC1 ZINC001599121504 997746945 /nfs/dbraw/zinc/74/69/45/997746945.db2.gz AWAVCEODHAJEKP-KRWDZBQOSA-N 0 1 390.524 3.052 20 0 GGADMN COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc(C(=O)[O-])c1 ZINC001598931434 997764579 /nfs/dbraw/zinc/76/45/79/997764579.db2.gz BPEZYYADICGSAO-NSHDSACASA-N 0 1 391.395 3.179 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc(C(=O)[O-])c1 ZINC001598931504 997766750 /nfs/dbraw/zinc/76/67/50/997766750.db2.gz NCAHPUXVKJAPMB-LJQANCHMSA-N 0 1 396.443 3.097 20 0 GGADMN C[C@]1(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001594053222 997768217 /nfs/dbraw/zinc/76/82/17/997768217.db2.gz QWTQFXSEYJGBTP-IBGZPJMESA-N 0 1 388.855 3.219 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)c3cc(C(=O)[O-])ccn3)CCC[N@H+]2C)cc1 ZINC001599537710 997773032 /nfs/dbraw/zinc/77/30/32/997773032.db2.gz RQKPTSYTKWWMFU-QFBILLFUSA-N 0 1 384.432 3.028 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(C)s1 ZINC001598931826 997773210 /nfs/dbraw/zinc/77/32/10/997773210.db2.gz APUMTQQCGQBKDT-LLVKDONJSA-N 0 1 380.491 3.377 20 0 GGADMN COC(=O)c1cc(CN2CCC[N@@H+](CC3CCCCC3)CC2)cc(C(=O)[O-])c1 ZINC001598932204 997783051 /nfs/dbraw/zinc/78/30/51/997783051.db2.gz GNFCMNKAYRLHNP-UHFFFAOYSA-N 0 1 388.508 3.259 20 0 GGADMN COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl ZINC001599432494 997784311 /nfs/dbraw/zinc/78/43/11/997784311.db2.gz CEDBKBUBDQMKAG-UHFFFAOYSA-N 0 1 392.839 3.126 20 0 GGADMN COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl ZINC001599432494 997784319 /nfs/dbraw/zinc/78/43/19/997784319.db2.gz CEDBKBUBDQMKAG-UHFFFAOYSA-N 0 1 392.839 3.126 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598932424 997789034 /nfs/dbraw/zinc/78/90/34/997789034.db2.gz VDUCJWNQYWQMMT-QGZVFWFLSA-N 0 1 383.444 3.210 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cc2cccc(OC)c2)cc(C(=O)[O-])c1 ZINC001598932584 997794866 /nfs/dbraw/zinc/79/48/66/997794866.db2.gz MFGMQUCPZXCGTE-LJQANCHMSA-N 0 1 383.444 3.387 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc(C(=O)[O-])c1 ZINC001598932575 997795260 /nfs/dbraw/zinc/79/52/60/997795260.db2.gz LVYAOCNMKHBCPM-GOSISDBHSA-N 0 1 397.427 3.280 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001599539073 997799708 /nfs/dbraw/zinc/79/97/08/997799708.db2.gz MUMZHNMVAGRPOA-UXPWSPDFSA-N 0 1 388.508 3.324 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001599539073 997799716 /nfs/dbraw/zinc/79/97/16/997799716.db2.gz MUMZHNMVAGRPOA-UXPWSPDFSA-N 0 1 388.508 3.324 20 0 GGADMN C[C@@]1(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594056552 997801469 /nfs/dbraw/zinc/80/14/69/997801469.db2.gz CRDSTHQTVYDXKD-JOCHJYFZSA-N 0 1 397.475 3.326 20 0 GGADMN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c(OC)c1 ZINC001599539403 997807194 /nfs/dbraw/zinc/80/71/94/997807194.db2.gz IQBBBBSPHONEIY-LJQANCHMSA-N 0 1 398.459 3.202 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c(OC)c1 ZINC001599539403 997807205 /nfs/dbraw/zinc/80/72/05/997807205.db2.gz IQBBBBSPHONEIY-LJQANCHMSA-N 0 1 398.459 3.202 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598933236 997811071 /nfs/dbraw/zinc/81/10/71/997811071.db2.gz UNPPYYXNKVOJOQ-KRWDZBQOSA-N 0 1 391.464 3.258 20 0 GGADMN COc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599434640 997821006 /nfs/dbraw/zinc/82/10/06/997821006.db2.gz ZRPGDNGJWFQRFA-QGZVFWFLSA-N 0 1 397.475 3.379 20 0 GGADMN CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)[C@H](C)C1 ZINC001599125653 997842037 /nfs/dbraw/zinc/84/20/37/997842037.db2.gz QHMIIZILLSMXTF-JHJVBQTASA-N 0 1 380.510 3.009 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)[C@H](C)C1 ZINC001599125653 997842051 /nfs/dbraw/zinc/84/20/51/997842051.db2.gz QHMIIZILLSMXTF-JHJVBQTASA-N 0 1 380.510 3.009 20 0 GGADMN COc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1C(=O)[O-] ZINC001599436114 997850151 /nfs/dbraw/zinc/85/01/51/997850151.db2.gz VNNIQELGRVNZKF-MRXNPFEDSA-N 0 1 397.475 3.379 20 0 GGADMN COc1c(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cccc1C(=O)[O-] ZINC001599339983 997906312 /nfs/dbraw/zinc/90/63/12/997906312.db2.gz BRNAATRSOVDTRI-LBPRGKRZSA-N 0 1 389.477 3.023 20 0 GGADMN COc1c(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cccc1C(=O)[O-] ZINC001599339983 997906325 /nfs/dbraw/zinc/90/63/25/997906325.db2.gz BRNAATRSOVDTRI-LBPRGKRZSA-N 0 1 389.477 3.023 20 0 GGADMN COc1c(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340226 997909119 /nfs/dbraw/zinc/90/91/19/997909119.db2.gz HLIWMTLXZXMQOK-RDJZCZTQSA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1C(=O)[O-] ZINC001599340348 997911323 /nfs/dbraw/zinc/91/13/23/997911323.db2.gz GFQNJZPDSLWRIG-HNNXBMFYSA-N 0 1 385.464 3.426 20 0 GGADMN COc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1C(=O)[O-] ZINC001599340700 997917241 /nfs/dbraw/zinc/91/72/41/997917241.db2.gz MMKYZEPJYUZCKW-WMLDXEAASA-N 0 1 383.448 3.178 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@H]2CC2CCC2)cc(C(=O)[O-])c1 ZINC001598939183 997929689 /nfs/dbraw/zinc/92/96/89/997929689.db2.gz KJUMUKNDUGBYKZ-SFHVURJKSA-N 0 1 388.464 3.155 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc(C(=O)[O-])c1 ZINC001598939359 997934452 /nfs/dbraw/zinc/93/44/52/997934452.db2.gz NIJTZEDXLCLGFL-INIZCTEOSA-N 0 1 388.445 3.009 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc(C(=O)[O-])c1 ZINC001598939359 997934463 /nfs/dbraw/zinc/93/44/63/997934463.db2.gz NIJTZEDXLCLGFL-INIZCTEOSA-N 0 1 388.445 3.009 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)cc(C(=O)[O-])c1 ZINC001598939560 997940143 /nfs/dbraw/zinc/94/01/43/997940143.db2.gz AHGIGYOPIBPLND-OAHLLOKOSA-N 0 1 388.464 3.012 20 0 GGADMN CO[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@@](C)(C(=O)[O-])C1 ZINC001599131329 997951067 /nfs/dbraw/zinc/95/10/67/997951067.db2.gz COJLIQRCVIONAV-WMLDXEAASA-N 0 1 379.254 3.061 20 0 GGADMN CO[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@](C)(C(=O)[O-])C1 ZINC001599131329 997951077 /nfs/dbraw/zinc/95/10/77/997951077.db2.gz COJLIQRCVIONAV-WMLDXEAASA-N 0 1 379.254 3.061 20 0 GGADMN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3CC(=O)[O-])C2)cc(OC)c1 ZINC001599442898 997958406 /nfs/dbraw/zinc/95/84/06/997958406.db2.gz KRFLAMATJXVYGO-SFHVURJKSA-N 0 1 384.476 3.407 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3CC(=O)[O-])C2)cc(OC)c1 ZINC001599442897 997959223 /nfs/dbraw/zinc/95/92/23/997959223.db2.gz KRFLAMATJXVYGO-GOSISDBHSA-N 0 1 384.476 3.407 20 0 GGADMN COc1cc(N[C@H]2CCC[N@@H+]([C@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443626 997971407 /nfs/dbraw/zinc/97/14/07/997971407.db2.gz VULIWLOIFVALNJ-OLZOCXBDSA-N 0 1 375.425 3.028 20 0 GGADMN COc1cc(N[C@H]2CCC[N@H+]([C@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443626 997971419 /nfs/dbraw/zinc/97/14/19/997971419.db2.gz VULIWLOIFVALNJ-OLZOCXBDSA-N 0 1 375.425 3.028 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@@]2(C)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598941130 997974369 /nfs/dbraw/zinc/97/43/69/997974369.db2.gz WCMINSIEPYVNNR-NRFANRHFSA-N 0 1 388.464 3.155 20 0 GGADMN COC(=O)c1cc(NC(=O)C[NH+]2CCC(CCC(C)C)CC2)cc(C(=O)[O-])c1 ZINC001598941117 997974557 /nfs/dbraw/zinc/97/45/57/997974557.db2.gz VNDLQTGWEBVZDQ-UHFFFAOYSA-N 0 1 390.480 3.258 20 0 GGADMN CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](CCOc2ccccc2C(=O)[O-])C1 ZINC001594084259 997990913 /nfs/dbraw/zinc/99/09/13/997990913.db2.gz BKGGBXKSQAVVMM-UHFFFAOYSA-N 0 1 397.406 3.226 20 0 GGADMN C[C@]12CN(C(=O)Cc3ccc(C(=O)[O-])cc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594087663 998019176 /nfs/dbraw/zinc/01/91/76/998019176.db2.gz KCXKJKVXXULTPQ-PSWAGMNNSA-N 0 1 392.499 3.298 20 0 GGADMN COc1cc(Br)c(C[NH2+][C@H](C(=O)[O-])c2cccc(O)c2)cc1OC ZINC001599347582 998035366 /nfs/dbraw/zinc/03/53/66/998035366.db2.gz DYGNEEOFOMJKJQ-INIZCTEOSA-N 0 1 396.237 3.087 20 0 GGADMN COc1cc(Br)c(C[NH2+][C@@H](C(=O)[O-])c2cccc(O)c2)cc1OC ZINC001599347583 998035722 /nfs/dbraw/zinc/03/57/22/998035722.db2.gz DYGNEEOFOMJKJQ-MRXNPFEDSA-N 0 1 396.237 3.087 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2cc(C(=O)[O-])c(C)n2C)c(OC)c1 ZINC001599348477 998051763 /nfs/dbraw/zinc/05/17/63/998051763.db2.gz QSDRTVRVJMVECZ-UHFFFAOYSA-N 0 1 397.269 3.101 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599450430 998084907 /nfs/dbraw/zinc/08/49/07/998084907.db2.gz FJWFUTGEEWSYIW-JEBQAFNWSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001599450890 998097060 /nfs/dbraw/zinc/09/70/60/998097060.db2.gz NLICKAFHBQLEGH-KKSFZXQISA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001599450889 998097286 /nfs/dbraw/zinc/09/72/86/998097286.db2.gz NLICKAFHBQLEGH-IIBYNOLFSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)c1 ZINC001599451221 998103396 /nfs/dbraw/zinc/10/33/96/998103396.db2.gz XOUHBOCMLIZIGE-JCKWVBRZSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599451222 998103951 /nfs/dbraw/zinc/10/39/51/998103951.db2.gz XOUHBOCMLIZIGE-QIIPPGSGSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCCc3c4[nH+]cn(C)c4ccc32)c1 ZINC001599451166 998103981 /nfs/dbraw/zinc/10/39/81/998103981.db2.gz WAHFEISNGFLNOB-HXUWFJFHSA-N 0 1 381.432 3.169 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCCc3c4[nH+]cn(C)c4ccc32)c1 ZINC001599451165 998104875 /nfs/dbraw/zinc/10/48/75/998104875.db2.gz WAHFEISNGFLNOB-FQEVSTJZSA-N 0 1 381.432 3.169 20 0 GGADMN COc1ccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)nc1 ZINC001599558968 998151973 /nfs/dbraw/zinc/15/19/73/998151973.db2.gz SGNDIOLPEWLQCG-UHFFFAOYSA-N 0 1 379.254 3.330 20 0 GGADMN COc1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001599559348 998159513 /nfs/dbraw/zinc/15/95/13/998159513.db2.gz WGZBOSIBOHXGCD-CYBMUJFWSA-N 0 1 390.867 3.184 20 0 GGADMN COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001599559348 998159521 /nfs/dbraw/zinc/15/95/21/998159521.db2.gz WGZBOSIBOHXGCD-CYBMUJFWSA-N 0 1 390.867 3.184 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(Br)c1OC ZINC001599560446 998182282 /nfs/dbraw/zinc/18/22/82/998182282.db2.gz HOZZGAZMNNPLBN-DYVFJYSZSA-N 0 1 384.270 3.296 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cc1 ZINC001599561875 998212818 /nfs/dbraw/zinc/21/28/18/998212818.db2.gz RAKHWAHLJRKNOK-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H]2CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1 ZINC001599561905 998213906 /nfs/dbraw/zinc/21/39/06/998213906.db2.gz SPAYHMFAAUKQNR-ZDUSSCGKSA-N 0 1 395.381 3.494 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)C(=O)[O-])cc1SC(F)(F)F ZINC001599562567 998226915 /nfs/dbraw/zinc/22/69/15/998226915.db2.gz GCLMSTQSORWYTF-XHDPSFHLSA-N 0 1 379.400 3.371 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])cc1SC(F)(F)F ZINC001599562566 998227620 /nfs/dbraw/zinc/22/76/20/998227620.db2.gz GCLMSTQSORWYTF-NHYWBVRUSA-N 0 1 379.400 3.371 20 0 GGADMN COC(=O)c1ccc(Br)cc1C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC001598956530 998251128 /nfs/dbraw/zinc/25/11/28/998251128.db2.gz LZIUABOPRDDYAX-INIZCTEOSA-N 0 1 392.249 3.493 20 0 GGADMN COC(=O)c1ccc(Br)cc1C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC001598956801 998256541 /nfs/dbraw/zinc/25/65/41/998256541.db2.gz XHGDMCMMAUNYMW-UHFFFAOYSA-N 0 1 384.270 3.313 20 0 GGADMN COC(=O)c1cc2cc(C[N@H+]3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)ccc2o1 ZINC001598957380 998269204 /nfs/dbraw/zinc/26/92/04/998269204.db2.gz FQRSFAKNYDRKMI-OLZOCXBDSA-N 0 1 385.338 3.304 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC001599462783 998302854 /nfs/dbraw/zinc/30/28/54/998302854.db2.gz KBJQIGNEKXWFFM-NVXWUHKLSA-N 0 1 377.481 3.004 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)c1 ZINC001598959949 998309810 /nfs/dbraw/zinc/30/98/10/998309810.db2.gz ASOMLMMMOLSHFL-HNNXBMFYSA-N 0 1 398.459 3.247 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)c2ccccc2)c1 ZINC001598960824 998325674 /nfs/dbraw/zinc/32/56/74/998325674.db2.gz LRCIAHOWOQLIIK-GJZGRUSLSA-N 0 1 398.459 3.234 20 0 GGADMN COC[C@](C)([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001599154651 998351344 /nfs/dbraw/zinc/35/13/44/998351344.db2.gz RMVSRWPLAZPVBL-IBGZPJMESA-N 0 1 392.839 3.150 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC001599465510 998352651 /nfs/dbraw/zinc/35/26/51/998352651.db2.gz KYIXOSISKIVFIA-IBGZPJMESA-N 0 1 398.459 3.236 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccc3c1OCO3)CC2 ZINC001599465485 998353275 /nfs/dbraw/zinc/35/32/75/998353275.db2.gz JOLUCENAFMEUSM-MRXNPFEDSA-N 0 1 385.416 3.007 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc3c1OCO3)CC2 ZINC001599465485 998353288 /nfs/dbraw/zinc/35/32/88/998353288.db2.gz JOLUCENAFMEUSM-MRXNPFEDSA-N 0 1 385.416 3.007 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C)oc1ccccc12 ZINC001599465665 998356412 /nfs/dbraw/zinc/35/64/12/998356412.db2.gz ZICHVCRDQJZIRS-STQMWFEESA-N 0 1 382.416 3.328 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001599369881 998393620 /nfs/dbraw/zinc/39/36/20/998393620.db2.gz BNHLCDLDWVTRIH-HNNXBMFYSA-N 0 1 383.448 3.304 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001598965509 998412162 /nfs/dbraw/zinc/41/21/62/998412162.db2.gz FHWQMDIKSWMVJZ-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN COc1ccc(COCC[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1 ZINC001599575305 998433094 /nfs/dbraw/zinc/43/30/94/998433094.db2.gz XDWQCCJDJYSQMT-RBUKOAKNSA-N 0 1 391.414 3.290 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001599374166 998460550 /nfs/dbraw/zinc/46/05/50/998460550.db2.gz WPIFCHIZZQBDEV-INIZCTEOSA-N 0 1 391.855 3.471 20 0 GGADMN COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC001599161304 998463482 /nfs/dbraw/zinc/46/34/82/998463482.db2.gz XTKAXMMQRYRRPV-NVXWUHKLSA-N 0 1 378.513 3.318 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599577934 998476015 /nfs/dbraw/zinc/47/60/15/998476015.db2.gz JKBLUUMWJASXDU-OAHLLOKOSA-N 0 1 394.777 3.016 20 0 GGADMN COC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001599162508 998482777 /nfs/dbraw/zinc/48/27/77/998482777.db2.gz YILDUCUPTDTBBS-FOIQADDNSA-N 0 1 382.460 3.348 20 0 GGADMN COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001599578765 998491212 /nfs/dbraw/zinc/49/12/12/998491212.db2.gz GMAIWQLIHZKMTL-UHFFFAOYSA-N 0 1 382.888 3.077 20 0 GGADMN COC[C@@H](C[N@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1)C(C)C ZINC001599163267 998495308 /nfs/dbraw/zinc/49/53/08/998495308.db2.gz DBNKCHQERIUTEZ-CQSZACIVSA-N 0 1 386.286 3.260 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](CCC(F)(F)F)CC(=O)[O-])cc1Br ZINC001598971334 998519445 /nfs/dbraw/zinc/51/94/45/998519445.db2.gz BULQCUACGCIWOG-UHFFFAOYSA-N 0 1 398.175 3.075 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)cc1 ZINC001598971299 998519654 /nfs/dbraw/zinc/51/96/54/998519654.db2.gz ASPRIHBTTIPQEI-UHFFFAOYSA-N 0 1 392.249 3.323 20 0 GGADMN COc1ccc(Br)c([C@H](C(=O)[O-])[N@@H+](C)CCc2cccnc2)c1 ZINC001599475361 998521025 /nfs/dbraw/zinc/52/10/25/998521025.db2.gz WPBVBLOSLFRRKQ-MRXNPFEDSA-N 0 1 379.254 3.153 20 0 GGADMN COc1ccc(Br)c([C@@H](C(=O)[O-])[N@@H+](C)CCC[C@@H]2CCOC2)c1 ZINC001599475392 998523076 /nfs/dbraw/zinc/52/30/76/998523076.db2.gz XSDJAJGYEBXVME-WBMJQRKESA-N 0 1 386.286 3.332 20 0 GGADMN COc1ccc(Br)c([C@H](C(=O)[O-])[N@@H+](C)CCC[C@H]2CCOC2)c1 ZINC001599475389 998523413 /nfs/dbraw/zinc/52/34/13/998523413.db2.gz XSDJAJGYEBXVME-BLLLJJGKSA-N 0 1 386.286 3.332 20 0 GGADMN COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599164868 998524562 /nfs/dbraw/zinc/52/45/62/998524562.db2.gz NJKBPNLEUCTACK-MRXNPFEDSA-N 0 1 390.505 3.191 20 0 GGADMN COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599164868 998524571 /nfs/dbraw/zinc/52/45/71/998524571.db2.gz NJKBPNLEUCTACK-MRXNPFEDSA-N 0 1 390.505 3.191 20 0 GGADMN COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001598971600 998525822 /nfs/dbraw/zinc/52/58/22/998525822.db2.gz FYLKOESUKZPGGF-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001598971600 998525833 /nfs/dbraw/zinc/52/58/33/998525833.db2.gz FYLKOESUKZPGGF-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001599475606 998527245 /nfs/dbraw/zinc/52/72/45/998527245.db2.gz WMWHWFSBHMDHLQ-QGZVFWFLSA-N 0 1 379.254 3.332 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001594151529 998530537 /nfs/dbraw/zinc/53/05/37/998530537.db2.gz AETWUWLAHRQFEZ-JXFKEZNVSA-N 0 1 387.524 3.456 20 0 GGADMN COc1ccc(Br)cc1C[NH2+]Cc1ccccc1OCC(=O)[O-] ZINC001599476208 998535030 /nfs/dbraw/zinc/53/50/30/998535030.db2.gz JKDLQJYURCNFPG-UHFFFAOYSA-N 0 1 380.238 3.211 20 0 GGADMN COc1ccc(Br)cc1C[NH2+][C@](C)(CC(=O)[O-])c1ccccn1 ZINC001599476369 998538999 /nfs/dbraw/zinc/53/89/99/998538999.db2.gz RTOFVCNJJVHLDH-QGZVFWFLSA-N 0 1 379.254 3.332 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)s1 ZINC001598973659 998563008 /nfs/dbraw/zinc/56/30/08/998563008.db2.gz CNAFKWCAUGYUPT-LSDHHAIUSA-N 0 1 379.865 3.488 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001599273085 998570904 /nfs/dbraw/zinc/57/09/04/998570904.db2.gz GIUXHMIPISHSFR-QWRGUYRKSA-N 0 1 390.249 3.176 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001599273085 998570911 /nfs/dbraw/zinc/57/09/11/998570911.db2.gz GIUXHMIPISHSFR-QWRGUYRKSA-N 0 1 390.249 3.176 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001599273084 998571106 /nfs/dbraw/zinc/57/11/06/998571106.db2.gz GIUXHMIPISHSFR-MNOVXSKESA-N 0 1 390.249 3.176 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001599273084 998571113 /nfs/dbraw/zinc/57/11/13/998571113.db2.gz GIUXHMIPISHSFR-MNOVXSKESA-N 0 1 390.249 3.176 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001598974099 998572373 /nfs/dbraw/zinc/57/23/73/998572373.db2.gz INDUBPXCGYFRNM-LBPRGKRZSA-N 0 1 378.425 3.147 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1Br ZINC001599273726 998580026 /nfs/dbraw/zinc/58/00/26/998580026.db2.gz YBLFQVWSUIHOEG-GHMZBOCLSA-N 0 1 392.265 3.422 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1Br ZINC001599273727 998580410 /nfs/dbraw/zinc/58/04/10/998580410.db2.gz YBLFQVWSUIHOEG-MNOVXSKESA-N 0 1 392.265 3.422 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)c2ncccc12 ZINC001598974873 998583943 /nfs/dbraw/zinc/58/39/43/998583943.db2.gz VFYRTOFFXYXNOQ-UHFFFAOYSA-N 0 1 376.412 3.278 20 0 GGADMN COC(=O)c1ccc([C@H]2CCCC[N@H+]2CCOc2ccccc2C(=O)[O-])n1C ZINC001598974874 998584367 /nfs/dbraw/zinc/58/43/67/998584367.db2.gz VJFMWLDKOUFYRC-QGZVFWFLSA-N 0 1 386.448 3.116 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162974 998610653 /nfs/dbraw/zinc/61/06/53/998610653.db2.gz WINCOLFENORJRI-NQIIRXRSSA-N 0 1 380.488 3.053 20 0 GGADMN COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)[C@@H](C)C2)cc1 ZINC001598977684 998620670 /nfs/dbraw/zinc/62/06/70/998620670.db2.gz OXLCJZNRJBEQPI-AWEZNQCLSA-N 0 1 386.423 3.021 20 0 GGADMN COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)[C@@H](C)C2)cc1 ZINC001598977684 998620677 /nfs/dbraw/zinc/62/06/77/998620677.db2.gz OXLCJZNRJBEQPI-AWEZNQCLSA-N 0 1 386.423 3.021 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166017 998622764 /nfs/dbraw/zinc/62/27/64/998622764.db2.gz MGZWTHVSMSIPQW-WNYOCNMUSA-N 0 1 386.879 3.341 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166051 998623717 /nfs/dbraw/zinc/62/37/17/998623717.db2.gz MWNMFBAICDFOFU-NWDGAFQWSA-N 0 1 384.461 3.025 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166051 998623720 /nfs/dbraw/zinc/62/37/20/998623720.db2.gz MWNMFBAICDFOFU-NWDGAFQWSA-N 0 1 384.461 3.025 20 0 GGADMN COC[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC001599172619 998627761 /nfs/dbraw/zinc/62/77/61/998627761.db2.gz HEIJWSVNFFBJII-MRXNPFEDSA-N 0 1 396.365 3.319 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001594167061 998640972 /nfs/dbraw/zinc/64/09/72/998640972.db2.gz JBTJFUKFUIPEOI-XHDPSFHLSA-N 0 1 376.254 3.201 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001594176002 998676257 /nfs/dbraw/zinc/67/62/57/998676257.db2.gz CZSPMYLAABFCDM-BRWVUGGUSA-N 0 1 396.491 3.224 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176004 998676503 /nfs/dbraw/zinc/67/65/03/998676503.db2.gz CZSPMYLAABFCDM-IXDOHACOSA-N 0 1 396.491 3.224 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001594176929 998683329 /nfs/dbraw/zinc/68/33/29/998683329.db2.gz ORGBMQHSEKZPGD-BZUAXINKSA-N 0 1 382.464 3.295 20 0 GGADMN COC(=O)c1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001598983855 998683396 /nfs/dbraw/zinc/68/33/96/998683396.db2.gz CBCXXJVHODSSOB-KRWDZBQOSA-N 0 1 386.448 3.246 20 0 GGADMN COC(=O)c1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001598983855 998683401 /nfs/dbraw/zinc/68/34/01/998683401.db2.gz CBCXXJVHODSSOB-KRWDZBQOSA-N 0 1 386.448 3.246 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001594176974 998684313 /nfs/dbraw/zinc/68/43/13/998684313.db2.gz PNUGRMRLRVHXEM-MIALQEHNSA-N 0 1 387.524 3.180 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001594177075 998684865 /nfs/dbraw/zinc/68/48/65/998684865.db2.gz RJCCSBLCHXMPRE-CABCVRRESA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC001594177075 998684868 /nfs/dbraw/zinc/68/48/68/998684868.db2.gz RJCCSBLCHXMPRE-CABCVRRESA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001594177220 998686666 /nfs/dbraw/zinc/68/66/66/998686666.db2.gz UBRLOHWLSOLOGH-RISVGRPXSA-N 0 1 387.524 3.323 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@H+]([C@@H](C(=O)[O-])c1ccc(Cl)cc1)C2 ZINC001598990804 998735422 /nfs/dbraw/zinc/73/54/22/998735422.db2.gz WKCZYNKEMWFUGK-QGZVFWFLSA-N 0 1 375.808 3.147 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@@H+]([C@@H](C(=O)[O-])c1ccc(Cl)cc1)C2 ZINC001598990804 998735426 /nfs/dbraw/zinc/73/54/26/998735426.db2.gz WKCZYNKEMWFUGK-QGZVFWFLSA-N 0 1 375.808 3.147 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001594189977 998737600 /nfs/dbraw/zinc/73/76/00/998737600.db2.gz DOXHVANVKBQDBR-IIBYNOLFSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H]1[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594191299 998747119 /nfs/dbraw/zinc/74/71/19/998747119.db2.gz VQKAITDCVRELRZ-HRAATJIYSA-N 0 1 393.487 3.116 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC001598994377 998765722 /nfs/dbraw/zinc/76/57/22/998765722.db2.gz CRZVEGINJOCDLP-FQEVSTJZSA-N 0 1 388.508 3.187 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC001598996074 998780426 /nfs/dbraw/zinc/78/04/26/998780426.db2.gz LOCWCUHVYLWZFC-KNQAVFIVSA-N 0 1 381.428 3.120 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC001598996869 998788346 /nfs/dbraw/zinc/78/83/46/998788346.db2.gz PSBOCUYEBRGWJO-OALUTQOASA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001598998055 998798233 /nfs/dbraw/zinc/79/82/33/998798233.db2.gz WPUAQWXNDVVRBX-KSSFIOAISA-N 0 1 388.489 3.039 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC001594207694 998801142 /nfs/dbraw/zinc/80/11/42/998801142.db2.gz IIPBYMXOQSJFLS-RNJOBUHISA-N 0 1 376.280 3.307 20 0 GGADMN COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001598999048 998807405 /nfs/dbraw/zinc/80/74/05/998807405.db2.gz OYIHFCFKANQLJA-HNNXBMFYSA-N 0 1 390.461 3.152 20 0 GGADMN COC(=O)c1cccc(OCC[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001598999048 998807410 /nfs/dbraw/zinc/80/74/10/998807410.db2.gz OYIHFCFKANQLJA-HNNXBMFYSA-N 0 1 390.461 3.152 20 0 GGADMN COC(=O)c1cccc([C@@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000335 998818647 /nfs/dbraw/zinc/81/86/47/998818647.db2.gz YJJLYQZQAGHZBD-OFNKIYASSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000335 998818648 /nfs/dbraw/zinc/81/86/48/998818648.db2.gz YJJLYQZQAGHZBD-OFNKIYASSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000335 998818650 /nfs/dbraw/zinc/81/86/50/998818650.db2.gz YJJLYQZQAGHZBD-OFNKIYASSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1ccccc1CC[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001599003275 998837083 /nfs/dbraw/zinc/83/70/83/998837083.db2.gz RFFDDBLXQRGFEM-KRWDZBQOSA-N 0 1 381.350 3.191 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001594225531 998864918 /nfs/dbraw/zinc/86/49/18/998864918.db2.gz GPHOJUHYFYBITE-TXEJJXNPSA-N 0 1 382.892 3.311 20 0 GGADMN CC(C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001594226369 998867499 /nfs/dbraw/zinc/86/74/99/998867499.db2.gz NZIRIHQZRLAFMK-FGTMMUONSA-N 0 1 391.560 3.071 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001594227140 998870426 /nfs/dbraw/zinc/87/04/26/998870426.db2.gz VSZXXQRQKJWWPG-CALCHBBNSA-N 0 1 387.524 3.211 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001594227173 998871074 /nfs/dbraw/zinc/87/10/74/998871074.db2.gz WSNAJNLVNZXOPQ-IYBDPMFKSA-N 0 1 387.524 3.209 20 0 GGADMN COC(=O)c1cnc(C2CC[NH+](Cc3cc(C(=O)[O-])c(C(C)C)[nH]3)CC2)s1 ZINC001599008585 998877047 /nfs/dbraw/zinc/87/70/47/998877047.db2.gz BQTLDMGKBVYFMD-UHFFFAOYSA-N 0 1 391.493 3.459 20 0 GGADMN COC(=O)c1cnc([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008712 998878712 /nfs/dbraw/zinc/87/87/12/998878712.db2.gz CATNBTMNQLOPFM-SWLSCSKDSA-N 0 1 378.425 3.074 20 0 GGADMN COC(=O)c1cnc([C@H]2CCC[N@H+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)C2)s1 ZINC001599008964 998880361 /nfs/dbraw/zinc/88/03/61/998880361.db2.gz HWDWXNKURNSFOE-NEPJUHHUSA-N 0 1 378.450 3.470 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)C2)s1 ZINC001599008967 998880727 /nfs/dbraw/zinc/88/07/27/998880727.db2.gz HWDWXNKURNSFOE-VXGBXAGGSA-N 0 1 378.450 3.470 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001594232219 998883395 /nfs/dbraw/zinc/88/33/95/998883395.db2.gz GDIKORCPNWGHFU-RAUXBKROSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)Nc2cccc(CC(=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC001594232478 998885620 /nfs/dbraw/zinc/88/56/20/998885620.db2.gz KVGCNBCLGYWIDO-WMZOPIPTSA-N 0 1 396.491 3.131 20 0 GGADMN 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C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@@H]1C(=O)OC(C)(C)C ZINC001594422501 999574796 /nfs/dbraw/zinc/57/47/96/999574796.db2.gz FHFRXSHDWBNAGU-PBHICJAKSA-N 0 1 376.497 3.322 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccsc3CC(=O)[O-])cc2)C1 ZINC001594423412 999580762 /nfs/dbraw/zinc/58/07/62/999580762.db2.gz WIYSJDQPCKFLQO-CQSZACIVSA-N 0 1 388.489 3.348 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594423830 999584049 /nfs/dbraw/zinc/58/40/49/999584049.db2.gz IXXKHXWLHJVHQU-XAQJJABOSA-N 0 1 378.469 3.360 20 0 GGADMN CC1CC[NH+](Cc2cccc(CN[C@H]3CCCn4nc(C(=O)[O-])cc43)c2)CC1 ZINC001594424254 999586985 /nfs/dbraw/zinc/58/69/85/999586985.db2.gz QBYFZQLGEKVQEP-IBGZPJMESA-N 0 1 382.508 3.438 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCSC[C@@H]3C)c2C(=O)[O-])C1 ZINC001594443154 999630468 /nfs/dbraw/zinc/63/04/68/999630468.db2.gz ALTQVOXPCLUYQO-RYUDHWBXSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCSC[C@@H]3C)c2C(=O)[O-])C1 ZINC001594443154 999630470 /nfs/dbraw/zinc/63/04/70/999630470.db2.gz ALTQVOXPCLUYQO-RYUDHWBXSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCSC[C@@H]3C)c2C(=O)[O-])C1 ZINC001594443152 999630475 /nfs/dbraw/zinc/63/04/75/999630475.db2.gz ALTQVOXPCLUYQO-NEPJUHHUSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCSC[C@@H]3C)c2C(=O)[O-])C1 ZINC001594443152 999630479 /nfs/dbraw/zinc/63/04/79/999630479.db2.gz ALTQVOXPCLUYQO-NEPJUHHUSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(C[N@H+]4C[C@@H]5CCC[C@@H]5[C@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444156 999632797 /nfs/dbraw/zinc/63/27/97/999632797.db2.gz NIJQHEPFWSYRTD-QLQJRFMMSA-N 0 1 386.521 3.083 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C[C@@H]3CCOC3)C3CC3)c2C(=O)[O-])C1 ZINC001594444550 999633933 /nfs/dbraw/zinc/63/39/33/999633933.db2.gz UERZLJIBGRPXFJ-OLZOCXBDSA-N 0 1 392.521 3.011 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCCC[C@H]3CCO)c2C(=O)[O-])C1 ZINC001594444684 999634829 /nfs/dbraw/zinc/63/48/29/999634829.db2.gz YAPKPJBPUTXDCJ-KGLIPLIRSA-N 0 1 394.537 3.137 20 0 GGADMN C[C@H]1CN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC[N@@H+]1CCC(=O)[O-] ZINC001594462312 999674111 /nfs/dbraw/zinc/67/41/11/999674111.db2.gz HMCYZUPQGGDXNU-JTQLQIEISA-N 0 1 395.233 3.093 20 0 GGADMN C[C@H]1CN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594462312 999674115 /nfs/dbraw/zinc/67/41/15/999674115.db2.gz HMCYZUPQGGDXNU-JTQLQIEISA-N 0 1 395.233 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC001594465084 999681890 /nfs/dbraw/zinc/68/18/90/999681890.db2.gz KPNAJNZQMYMSPY-ZWKOTPCHSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)CC[N@@H+]1CCC(=O)[O-] ZINC001594468040 999696194 /nfs/dbraw/zinc/69/61/94/999696194.db2.gz LEPDHWHOMCLXMC-NSHDSACASA-N 0 1 391.320 3.093 20 0 GGADMN C[C@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594468040 999696195 /nfs/dbraw/zinc/69/61/95/999696195.db2.gz LEPDHWHOMCLXMC-NSHDSACASA-N 0 1 391.320 3.093 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594473587 999707491 /nfs/dbraw/zinc/70/74/91/999707491.db2.gz NVPYZGGUZIYWNZ-ROUUACIJSA-N 0 1 387.524 3.326 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594473585 999707669 /nfs/dbraw/zinc/70/76/69/999707669.db2.gz NVPYZGGUZIYWNZ-QZTJIDSGSA-N 0 1 387.524 3.326 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@@H](CO)C[C@H](O)c2ccccc2)s1 ZINC000281961266 1126079360 /nfs/dbraw/zinc/07/93/60/1126079360.db2.gz JIKGQCMCKISHIB-ZBFHGGJFSA-N 0 1 393.509 3.064 20 0 GGADMN OC[C@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181530822 1126076787 /nfs/dbraw/zinc/07/67/87/1126076787.db2.gz BPWYDRICIJLCLP-AWEZNQCLSA-N 0 1 399.857 3.234 20 0 GGADMN CC(C)(C)c1cnc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])s1 ZINC000417573297 1126080723 /nfs/dbraw/zinc/08/07/23/1126080723.db2.gz HEJKTVVSSRQJOO-CQSZACIVSA-N 0 1 390.505 3.387 20 0 GGADMN CC(C)c1cnc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])s1 ZINC000417578310 1126080647 /nfs/dbraw/zinc/08/06/47/1126080647.db2.gz NNDQFBOPTOINSZ-AWEZNQCLSA-N 0 1 376.478 3.213 20 0 GGADMN Cc1cc2cc(C[NH2+][C@@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])oc2cc1C ZINC000426755942 1126087917 /nfs/dbraw/zinc/08/79/17/1126087917.db2.gz GWTDOHJZLNTUIJ-FQEVSTJZSA-N 0 1 390.443 3.416 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](CO)Cc1ccc(C)c(C)c1 ZINC000453625585 1126093344 /nfs/dbraw/zinc/09/33/44/1126093344.db2.gz KPESOHWRXFKYIJ-SFHVURJKSA-N 0 1 395.952 3.444 20 0 GGADMN COc1ccccc1-c1ncc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)cn1 ZINC000491403508 1126094919 /nfs/dbraw/zinc/09/49/19/1126094919.db2.gz YKBYUKUISZZYPZ-UYAOXDASSA-N 0 1 399.441 3.479 20 0 GGADMN OC[C@@H](Cc1ccc(F)cc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000500229154 1126095285 /nfs/dbraw/zinc/09/52/85/1126095285.db2.gz NFIGNCQELVLHPC-OAHLLOKOSA-N 0 1 395.265 3.406 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000500245843 1126095287 /nfs/dbraw/zinc/09/52/87/1126095287.db2.gz OWGYZDJCTXNYHI-INIZCTEOSA-N 0 1 386.448 3.371 20 0 GGADMN OC[C@]1(NCc2cnc(CCc3ccccc3)s2)COc2ccccc2C1 ZINC000527769234 1126096240 /nfs/dbraw/zinc/09/62/40/1126096240.db2.gz KQHKCSWEKIAPPI-QFIPXVFZSA-N 0 1 380.513 3.384 20 0 GGADMN CCOC(=O)c1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)[nH]c1C ZINC000590646117 1126098641 /nfs/dbraw/zinc/09/86/41/1126098641.db2.gz NFJVNDFYSXQYIG-IAGOWNOFSA-N 0 1 384.398 3.124 20 0 GGADMN CCOC(=O)c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)[nH]c1C ZINC000590646119 1126098686 /nfs/dbraw/zinc/09/86/86/1126098686.db2.gz NFJVNDFYSXQYIG-IRXDYDNUSA-N 0 1 384.398 3.124 20 0 GGADMN COc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc2c1OCO2 ZINC000604766107 1126099827 /nfs/dbraw/zinc/09/98/27/1126099827.db2.gz PNCIQUIWAAEMDO-RDTXWAMCSA-N 0 1 383.366 3.048 20 0 GGADMN O[C@@H]([C@@H](Cc1ccccc1)NCc1cccc2c1OCCCO2)C(F)(F)F ZINC000604766091 1126099844 /nfs/dbraw/zinc/09/98/44/1126099844.db2.gz ORXBTPGREIPPEP-APWZRJJASA-N 0 1 381.394 3.472 20 0 GGADMN O[C@@H]([C@@H](Cc1ccccc1)NCc1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000604766318 1126100098 /nfs/dbraw/zinc/10/00/98/1126100098.db2.gz OUZLLEVAHYBTSO-MOPGFXCFSA-N 0 1 375.394 3.496 20 0 GGADMN O[C@H]([C@H](Cc1ccccc1)NCc1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000604766320 1126100190 /nfs/dbraw/zinc/10/01/90/1126100190.db2.gz OUZLLEVAHYBTSO-RBUKOAKNSA-N 0 1 375.394 3.496 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000604766631 1126100378 /nfs/dbraw/zinc/10/03/78/1126100378.db2.gz YAWCPNBKNQABFU-HNAYVOBHSA-N 0 1 399.409 3.337 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000604766627 1126100440 /nfs/dbraw/zinc/10/04/40/1126100440.db2.gz YAWCPNBKNQABFU-BEFAXECRSA-N 0 1 399.409 3.337 20 0 GGADMN CN(C)C(=O)c1cccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000640562237 1126102750 /nfs/dbraw/zinc/10/27/50/1126102750.db2.gz FVVGUWWAHITTHJ-MSOLQXFVSA-N 0 1 380.410 3.013 20 0 GGADMN CN(C)C(=O)c1cccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000640562240 1126102840 /nfs/dbraw/zinc/10/28/40/1126102840.db2.gz FVVGUWWAHITTHJ-ROUUACIJSA-N 0 1 380.410 3.013 20 0 GGADMN O[C@H]([C@@H](Cc1ccccc1)NCc1cc(F)cc2c1OCOC2)C(F)(F)F ZINC000640564323 1126103039 /nfs/dbraw/zinc/10/30/39/1126103039.db2.gz ZGXZGRUIGSUKOA-SJLPKXTDSA-N 0 1 385.357 3.316 20 0 GGADMN Cc1nn2c(nc(C)c2CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000678929765 1126105586 /nfs/dbraw/zinc/10/55/86/1126105586.db2.gz MZYYVSRFTKSNPE-UKRRQHHQSA-N 0 1 384.427 3.032 20 0 GGADMN COc1cc2c(cc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)OCO2 ZINC000680542481 1126105870 /nfs/dbraw/zinc/10/58/70/1126105870.db2.gz SEFHTBFEEQDGON-KBXCAEBGSA-N 0 1 383.366 3.048 20 0 GGADMN Cc1ccc(C[C@@H](CO)NCc2c(Cl)n(C)nc2C(F)(F)F)cc1C ZINC000835072407 1126111491 /nfs/dbraw/zinc/11/14/91/1126111491.db2.gz FJUBBCOOGGAACV-ZDUSSCGKSA-N 0 1 375.822 3.402 20 0 GGADMN O=C([O-])[C@H](CC(=O)OCc1ccccc1)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000841795192 1126111579 /nfs/dbraw/zinc/11/15/79/1126111579.db2.gz ICDNNXXVIKFCSQ-KRWDZBQOSA-N 0 1 388.489 3.477 20 0 GGADMN COC(=O)/C=C\c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC000848897102 1126112361 /nfs/dbraw/zinc/11/23/61/1126112361.db2.gz MZYCAOLJOFFSCJ-KABQWYEXSA-N 0 1 383.366 3.090 20 0 GGADMN COC(=O)/C=C/c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC000848897113 1126112617 /nfs/dbraw/zinc/11/26/17/1126112617.db2.gz MZYCAOLJOFFSCJ-WADNSWHXSA-N 0 1 383.366 3.090 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2coc(-c3ccccc3)n2)cc1OC ZINC000873191292 1126119108 /nfs/dbraw/zinc/11/91/08/1126119108.db2.gz LIQNUDWCEYKOKY-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc3c(s2)CCCC3)cc1OC ZINC000873192227 1126120111 /nfs/dbraw/zinc/12/01/11/1126120111.db2.gz AWLVVZLJQRFUBY-HXUWFJFHSA-N 0 1 376.522 3.122 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2ncc(CSC)s2)cc1OC ZINC000873192664 1126120628 /nfs/dbraw/zinc/12/06/28/1126120628.db2.gz IQLZWJMKKFKZAW-GOSISDBHSA-N 0 1 382.551 3.107 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2ncc(Br)cc2F)cc1 ZINC000873191007 1126118581 /nfs/dbraw/zinc/11/85/81/1126118581.db2.gz NJPYMWZXFOBNKH-QGZVFWFLSA-N 0 1 383.261 3.075 20 0 GGADMN Cn1nc(C(F)(F)F)c(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c1Cl ZINC000894259551 1126126107 /nfs/dbraw/zinc/12/61/07/1126126107.db2.gz WQICQOXGKUNWMB-LLVKDONJSA-N 0 1 386.805 3.267 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1coc(-c2ccccc2OC)n1 ZINC000931600294 1126135672 /nfs/dbraw/zinc/13/56/72/1126135672.db2.gz GNNRTGUNUZLGKD-QFIPXVFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1coc(-c2ccccc2OC)n1 ZINC000931600293 1126135682 /nfs/dbraw/zinc/13/56/82/1126135682.db2.gz GNNRTGUNUZLGKD-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000931602279 1126136144 /nfs/dbraw/zinc/13/61/44/1126136144.db2.gz HMHOAKVPUROQJD-FQEVSTJZSA-N 0 1 387.867 3.081 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000931602642 1126136270 /nfs/dbraw/zinc/13/62/70/1126136270.db2.gz GKEJPKIDFWTXEJ-MRXNPFEDSA-N 0 1 391.821 3.184 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000933425115 1126138204 /nfs/dbraw/zinc/13/82/04/1126138204.db2.gz JIDONFJPINPEEB-FQEVSTJZSA-N 0 1 387.867 3.482 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000933428880 1126138896 /nfs/dbraw/zinc/13/88/96/1126138896.db2.gz NVPMKUMKGSIECC-FQEVSTJZSA-N 0 1 387.867 3.081 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000933428764 1126138934 /nfs/dbraw/zinc/13/89/34/1126138934.db2.gz PQQFHJQUQUUSTP-MRXNPFEDSA-N 0 1 391.821 3.184 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000933429047 1126139095 /nfs/dbraw/zinc/13/90/95/1126139095.db2.gz VLBSHMXNZXDQKM-FQEVSTJZSA-N 0 1 387.867 3.081 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2coc(-c3cccc(OC)c3)n2)cc1 ZINC000933431472 1126139554 /nfs/dbraw/zinc/13/95/54/1126139554.db2.gz WLTHKGJTWGZRIS-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc(Cl)ccc2Cl)cc1OC ZINC000933444929 1126143033 /nfs/dbraw/zinc/14/30/33/1126143033.db2.gz LCGMSLVEIQXQLW-GOSISDBHSA-N 0 1 385.291 3.489 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1cc(O)ccc1Br ZINC001179278714 1126152062 /nfs/dbraw/zinc/15/20/62/1126152062.db2.gz YENPMIJHCAVLKQ-GOSISDBHSA-N 0 1 380.282 3.247 20 0 GGADMN O=C([O-])[C@H](Cc1cnc[nH]1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001262163676 1126161304 /nfs/dbraw/zinc/16/13/04/1126161304.db2.gz BQFHKJOYFKOSKX-LBPRGKRZSA-N 0 1 381.276 3.233 20 0 GGADMN O=C([O-])[C@H](Cc1cnc[nH]1)[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001332017733 1126176565 /nfs/dbraw/zinc/17/65/65/1126176565.db2.gz QPVQOBVDRZBJBF-IBGZPJMESA-N 0 1 379.464 3.174 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC001460864317 1126192716 /nfs/dbraw/zinc/19/27/16/1126192716.db2.gz WVMONWORCTVZDU-XMMPIXPASA-N 0 1 391.515 3.453 20 0 GGADMN COC(=O)c1ccc(OC)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001473749079 1126198608 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COc1ccccc1C[C@](C)(CO)NCc1cccc(O)c1Br ZINC001662974991 1126265991 /nfs/dbraw/zinc/26/59/91/1126265991.db2.gz GUBJZQXFMOUCBE-GOSISDBHSA-N 0 1 380.282 3.247 20 0 GGADMN CCn1c(=S)n(CN2CCN(C)C[C@H]2c2ccccc2)nc1-c1ccncc1 ZINC000241809972 231039714 /nfs/dbraw/zinc/03/97/14/231039714.db2.gz SCASYEREJJBJQW-IBGZPJMESA-N 0 1 394.548 3.442 20 0 GGADMN CCOc1ncccc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000003402854 204003768 /nfs/dbraw/zinc/00/37/68/204003768.db2.gz MFZWMHSSWXXMOH-FQEVSTJZSA-N 0 1 383.492 3.446 20 0 GGADMN CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 ZINC000003413782 204005468 /nfs/dbraw/zinc/00/54/68/204005468.db2.gz VWDBPMRATSBPHH-UHFFFAOYSA-N 0 1 382.869 3.289 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCC(C)CC2)n1 ZINC000005863106 204154141 /nfs/dbraw/zinc/15/41/41/204154141.db2.gz RQNQYTHFXMVRLY-UHFFFAOYSA-N 0 1 380.901 3.484 20 0 GGADMN Cc1cc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)no1 ZINC000006062929 204162322 /nfs/dbraw/zinc/16/23/22/204162322.db2.gz MIRSSVXYBSRDKZ-UHFFFAOYSA-N 0 1 394.254 3.261 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000006316279 204174527 /nfs/dbraw/zinc/17/45/27/204174527.db2.gz KBLGWLXPVPOMOD-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000006587199 204184904 /nfs/dbraw/zinc/18/49/04/204184904.db2.gz XKPBPTFSRDIEIG-LLVKDONJSA-N 0 1 381.885 3.110 20 0 GGADMN CNC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 ZINC000006657399 204188624 /nfs/dbraw/zinc/18/86/24/204188624.db2.gz XKQXDZATSLPGCH-UHFFFAOYSA-N 0 1 394.500 3.399 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(OC)cc1Cl ZINC000007387475 204240366 /nfs/dbraw/zinc/24/03/66/204240366.db2.gz NKWIXCAUQSWZBT-UHFFFAOYSA-N 0 1 399.852 3.319 20 0 GGADMN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2NC1=O ZINC000007729264 204247250 /nfs/dbraw/zinc/24/72/50/204247250.db2.gz ZQIQBQGAWDHZBC-SECBINFHSA-N 0 1 386.351 3.226 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccccc3OC)n2)cc1 ZINC000008776670 204290163 /nfs/dbraw/zinc/29/01/63/204290163.db2.gz ONAVKJOHYVNSKM-ZDUSSCGKSA-N 0 1 398.488 3.458 20 0 GGADMN COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000008132869 204263443 /nfs/dbraw/zinc/26/34/43/204263443.db2.gz ARBPCZAVTFGROA-CQSZACIVSA-N 0 1 388.489 3.333 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1 ZINC000008307162 204271057 /nfs/dbraw/zinc/27/10/57/204271057.db2.gz UHNTXHKJPKFVST-HNNXBMFYSA-N 0 1 378.476 3.138 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2NC1=O ZINC000009377511 204309279 /nfs/dbraw/zinc/30/92/79/204309279.db2.gz PBUWYTKKEZLKSB-CJNGLKHVSA-N 0 1 385.489 3.279 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009454028 204310655 /nfs/dbraw/zinc/31/06/55/204310655.db2.gz GTZBKPPFOHWDDK-SNVBAGLBSA-N 0 1 386.408 3.459 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000009593639 204316390 /nfs/dbraw/zinc/31/63/90/204316390.db2.gz QKCYWYHIYXWRHL-HNNXBMFYSA-N 0 1 381.476 3.185 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CAHURDMMULUDAH-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)c1 ZINC000054041273 205140404 /nfs/dbraw/zinc/14/04/04/205140404.db2.gz FYKKROSKVQXRBP-SFHVURJKSA-N 0 1 398.507 3.280 20 0 GGADMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1Br ZINC000056150341 205152144 /nfs/dbraw/zinc/15/21/44/205152144.db2.gz XWSMHGAEYQKIHD-AWEZNQCLSA-N 0 1 378.270 3.302 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)CC1 ZINC000057055606 205153585 /nfs/dbraw/zinc/15/35/85/205153585.db2.gz JPGUDJIMHJQVJC-UHFFFAOYSA-N 0 1 375.875 3.408 20 0 GGADMN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc3[nH]nnc3c2)cn1 ZINC000056977195 205154076 /nfs/dbraw/zinc/15/40/76/205154076.db2.gz JWTZDGRENHFBGJ-UHFFFAOYSA-N 0 1 389.415 3.474 20 0 GGADMN CCCN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049930715 205130158 /nfs/dbraw/zinc/13/01/58/205130158.db2.gz VTODGJSJGXKGBO-NRFANRHFSA-N 0 1 379.504 3.102 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@H](c2ccccc2)O1 ZINC000063109879 205185956 /nfs/dbraw/zinc/18/59/56/205185956.db2.gz FNYPQIFMAGFYDU-WMZHIEFXSA-N 0 1 393.531 3.036 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccco2)n[nH]1)N1CCCC1 ZINC000057672193 205161185 /nfs/dbraw/zinc/16/11/85/205161185.db2.gz JJDSKPNQBUFJGO-GOSISDBHSA-N 0 1 380.448 3.245 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000058005464 205162670 /nfs/dbraw/zinc/16/26/70/205162670.db2.gz SILNLYGENOZTHV-SFHVURJKSA-N 0 1 384.451 3.282 20 0 GGADMN COc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc(OC)c1Br ZINC000058168148 205165162 /nfs/dbraw/zinc/16/51/62/205165162.db2.gz BEZVSJVZOFSGMY-UHFFFAOYSA-N 0 1 393.197 3.097 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccc(OC)c(OC)c1OC)c1ccco1 ZINC000058193176 205166855 /nfs/dbraw/zinc/16/68/55/205166855.db2.gz CPKMNMXHZLOKTB-HNNXBMFYSA-N 0 1 376.453 3.118 20 0 GGADMN Cc1nnc2ccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cn12 ZINC000058222888 205171043 /nfs/dbraw/zinc/17/10/43/205171043.db2.gz RSGYUCYCTUKIGN-UHFFFAOYSA-N 0 1 383.883 3.086 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(F)cccc1F ZINC000058704280 205178297 /nfs/dbraw/zinc/17/82/97/205178297.db2.gz SXNPGHBJMLLBSI-KBXCAEBGSA-N 0 1 378.444 3.270 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1F)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000060378064 205181086 /nfs/dbraw/zinc/18/10/86/205181086.db2.gz KTJDFIJTTHLREV-KRWDZBQOSA-N 0 1 387.474 3.177 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1cccs1 ZINC000062581488 205185732 /nfs/dbraw/zinc/18/57/32/205185732.db2.gz IRZOSXGFYOBPLB-MRXNPFEDSA-N 0 1 388.493 3.125 20 0 GGADMN CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc2C1 ZINC000065196127 205216893 /nfs/dbraw/zinc/21/68/93/205216893.db2.gz NYEDWPZRGJUSCM-UHFFFAOYSA-N 0 1 388.873 3.246 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000072309732 205324041 /nfs/dbraw/zinc/32/40/41/205324041.db2.gz JEMXZXRFZQJDSB-IBGZPJMESA-N 0 1 380.492 3.086 20 0 GGADMN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1[nH]nc2ccccc21 ZINC000072310415 205324066 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FC(F)(F)c1nc2[nH]cnc2c(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000252572447 206145873 /nfs/dbraw/zinc/14/58/73/206145873.db2.gz ZIUYMJYZMYZUIC-UHFFFAOYSA-N 0 1 396.804 3.347 20 0 GGADMN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000253415664 206146638 /nfs/dbraw/zinc/14/66/38/206146638.db2.gz YCKDEDKQTJXVIP-QAPCUYQASA-N 0 1 396.422 3.061 20 0 GGADMN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000253415664 206146642 /nfs/dbraw/zinc/14/66/42/206146642.db2.gz YCKDEDKQTJXVIP-QAPCUYQASA-N 0 1 396.422 3.061 20 0 GGADMN COc1ccc(-c2nnc(SCc3c[nH]nn3)n2-c2ccc(OC)cc2)cc1 ZINC000253426623 206147482 /nfs/dbraw/zinc/14/74/82/206147482.db2.gz ZISJIOYLHLYDOJ-UHFFFAOYSA-N 0 1 394.460 3.362 20 0 GGADMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccc2c(c1)OCCO2 ZINC000012104554 221150506 /nfs/dbraw/zinc/15/05/06/221150506.db2.gz UHOJRYYPKWQVGV-UHFFFAOYSA-N 0 1 388.493 3.430 20 0 GGADMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc2c(c1)OCCO2 ZINC000012104554 221150508 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567160272 /nfs/dbraw/zinc/16/02/72/567160272.db2.gz CNMOVXOBKQGJHC-ONGXEEELSA-N 0 1 380.124 3.493 20 0 GGADMN CCc1c(Br)cc(C(=O)Nc2nnc(C)[nH]2)cc1Br ZINC000503289049 567478070 /nfs/dbraw/zinc/47/80/70/567478070.db2.gz XYYQRSRWVGEUQG-UHFFFAOYSA-N 0 1 388.063 3.453 20 0 GGADMN CCc1c(Br)cc(C(=O)Nc2nc(C)n[nH]2)cc1Br ZINC000503289049 567478074 /nfs/dbraw/zinc/47/80/74/567478074.db2.gz XYYQRSRWVGEUQG-UHFFFAOYSA-N 0 1 388.063 3.453 20 0 GGADMN Clc1ccc(I)c(CNCCOC[C@@H]2CCCO2)c1 ZINC000594925870 567526321 /nfs/dbraw/zinc/52/63/21/567526321.db2.gz QSSXALXXQNMNRY-ZDUSSCGKSA-N 0 1 395.668 3.230 20 0 GGADMN CCc1c(NC(=O)c2nccnc2N)[nH]nc1-c1ccc(Br)cc1 ZINC000114690482 564180498 /nfs/dbraw/zinc/18/04/98/564180498.db2.gz VOINEEKYDGUNNT-UHFFFAOYSA-N 0 1 387.241 3.026 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000114715638 564181645 /nfs/dbraw/zinc/18/16/45/564181645.db2.gz ATQNZKSWOVOEOE-UHFFFAOYSA-N 0 1 377.286 3.397 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1C ZINC000114846617 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QHRZMPWRQMVFNJ-CYBMUJFWSA-N 0 1 377.282 3.425 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)NCc2ccccc2)cc1Br ZINC000007879143 564242620 /nfs/dbraw/zinc/24/26/20/564242620.db2.gz QHRZMPWRQMVFNJ-ZDUSSCGKSA-N 0 1 377.282 3.425 20 0 GGADMN O=C(COc1ccccc1F)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000008115350 564245838 /nfs/dbraw/zinc/24/58/38/564245838.db2.gz MWDLZVICCFPHAK-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118794777 564245942 /nfs/dbraw/zinc/24/59/42/564245942.db2.gz RYIFZKVAYCYJPU-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)ccc1Br ZINC000118789950 564246128 /nfs/dbraw/zinc/24/61/28/564246128.db2.gz YWXTZWHXHFEOLI-HNNXBMFYSA-N 0 1 396.329 3.334 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c(Br)c1 ZINC000118792060 564246357 /nfs/dbraw/zinc/24/63/57/564246357.db2.gz DBENSLIUHHKGPF-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN CS[C@@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000119243339 564261360 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/nfs/dbraw/zinc/39/89/66/564398966.db2.gz SFERAVFABHCUKG-UHFFFAOYSA-N 0 1 394.243 3.237 20 0 GGADMN COc1sc(CN(CCC(N)=O)Cc2ccccc2)cc1Br ZINC000122089591 564400238 /nfs/dbraw/zinc/40/02/38/564400238.db2.gz MKPXUCBHSQSHTQ-UHFFFAOYSA-N 0 1 383.311 3.397 20 0 GGADMN CC[C@H](CNC(=O)c1cncc(Br)c1)N1CCc2ccccc2C1 ZINC000032445882 564400180 /nfs/dbraw/zinc/40/01/80/564400180.db2.gz HODOYKHEXGLYHF-GOSISDBHSA-N 0 1 388.309 3.411 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCC[C@H]1C ZINC000032441176 564400258 /nfs/dbraw/zinc/40/02/58/564400258.db2.gz AEEAJLDGWVFITO-OLZOCXBDSA-N 0 1 380.432 3.126 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@@H]1C ZINC000032441217 564400863 /nfs/dbraw/zinc/40/08/63/564400863.db2.gz WNIUEVBHMLIYOB-RYUDHWBXSA-N 0 1 396.887 3.483 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)[nH]1 ZINC000122123713 564401738 /nfs/dbraw/zinc/40/17/38/564401738.db2.gz KQTNOHBCYUJSOB-ZDUSSCGKSA-N 0 1 380.901 3.176 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000122123713 564401743 /nfs/dbraw/zinc/40/17/43/564401743.db2.gz KQTNOHBCYUJSOB-ZDUSSCGKSA-N 0 1 380.901 3.176 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1Cl ZINC000032589016 564402830 /nfs/dbraw/zinc/40/28/30/564402830.db2.gz UXAYWEDIBHZYGG-UHFFFAOYSA-N 0 1 380.853 3.276 20 0 GGADMN COc1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cc1Br ZINC000122175271 564403369 /nfs/dbraw/zinc/40/33/69/564403369.db2.gz YWGKHGMBVQDOBM-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN Cc1ccc(-c2ncc(CNCCNS(=O)(=O)c3cccs3)s2)cc1 ZINC000122201716 564404563 /nfs/dbraw/zinc/40/45/63/564404563.db2.gz LHCQIFGABRJQNR-UHFFFAOYSA-N 0 1 393.559 3.248 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000032732584 564405465 /nfs/dbraw/zinc/40/54/65/564405465.db2.gz IQDMOBHHWJEIPM-KRWDZBQOSA-N 0 1 395.272 3.386 20 0 GGADMN Cc1cc(C)nc(SCC(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000032761170 564405516 /nfs/dbraw/zinc/40/55/16/564405516.db2.gz UKUWHEGWDVUXDH-OAHLLOKOSA-N 0 1 376.551 3.200 20 0 GGADMN Cc1cc(CNCCNS(=O)(=O)c2cccs2)c(OC(F)F)cc1C ZINC000122238528 564406045 /nfs/dbraw/zinc/40/60/45/564406045.db2.gz JMLPDOFDTVUHQL-UHFFFAOYSA-N 0 1 390.477 3.034 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000122306955 564408637 /nfs/dbraw/zinc/40/86/37/564408637.db2.gz NSZODJXLXNWLNY-SECBINFHSA-N 0 1 391.444 3.087 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000122306955 564408642 /nfs/dbraw/zinc/40/86/42/564408642.db2.gz NSZODJXLXNWLNY-SECBINFHSA-N 0 1 391.444 3.087 20 0 GGADMN CC(C)CN1CCO[C@H](CNc2ncnc3cc(F)c(Br)cc32)C1 ZINC000545158078 564409789 /nfs/dbraw/zinc/40/97/89/564409789.db2.gz QINSSLNTVNRRNS-GFCCVEGCSA-N 0 1 397.292 3.300 20 0 GGADMN Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000122375680 564411559 /nfs/dbraw/zinc/41/15/59/564411559.db2.gz LAAKQWYUPPYAEQ-OAHLLOKOSA-N 0 1 389.297 3.398 20 0 GGADMN CN(C)[C@@H](CNC(=O)CSc1ccc2c(c1)OCCO2)c1cccs1 ZINC000033471575 564413173 /nfs/dbraw/zinc/41/31/73/564413173.db2.gz ILXJZCNHXRGBRS-AWEZNQCLSA-N 0 1 378.519 3.031 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000033681293 564414168 /nfs/dbraw/zinc/41/41/68/564414168.db2.gz JIMGWOBSICNPQP-UHFFFAOYSA-N 0 1 375.324 3.173 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCCC[C@@H]1CCO ZINC000122457239 564414785 /nfs/dbraw/zinc/41/47/85/564414785.db2.gz BJFFPBNOMIKDMS-CYBMUJFWSA-N 0 1 378.270 3.216 20 0 GGADMN CCCCn1ncc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1C ZINC000122470558 564415463 /nfs/dbraw/zinc/41/54/63/564415463.db2.gz BGGVSZBROXXTNN-UHFFFAOYSA-N 0 1 384.889 3.269 20 0 GGADMN CC[NH2+]CCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000036299440 564417512 /nfs/dbraw/zinc/41/75/12/564417512.db2.gz KJTCKHCSAYNKJM-UHFFFAOYSA-N 0 1 390.130 3.034 20 0 GGADMN O=C(CCc1nc[nH]n1)N(Cc1ccccc1Br)C1CCCC1 ZINC000122551349 564419323 /nfs/dbraw/zinc/41/93/23/564419323.db2.gz MWLSRLLRDFFOLG-UHFFFAOYSA-N 0 1 377.286 3.471 20 0 GGADMN O=S(=O)(NCC(F)(F)F)c1ccc(Br)cc1Br ZINC000037574724 564422193 /nfs/dbraw/zinc/42/21/93/564422193.db2.gz LINBSYZKLWZKCX-UHFFFAOYSA-N 0 1 397.010 3.052 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000122748179 564425875 /nfs/dbraw/zinc/42/58/75/564425875.db2.gz ANDXSYHCEUHONA-MRXNPFEDSA-N 0 1 391.313 3.109 20 0 GGADMN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)ccc1Br ZINC000122817657 564428575 /nfs/dbraw/zinc/42/85/75/564428575.db2.gz IYMRBCCJCAMCTA-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN CN1CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2C1=O ZINC000122838828 564429349 /nfs/dbraw/zinc/42/93/49/564429349.db2.gz ADJBUNHLLSVBEP-UHFFFAOYSA-N 0 1 385.272 3.422 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCCOc1ccc(Br)cc1 ZINC000122870399 564430645 /nfs/dbraw/zinc/43/06/45/564430645.db2.gz UZTPAGLOLBPZDI-AWEZNQCLSA-N 0 1 398.322 3.280 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NCCOc1ccc(Br)cc1 ZINC000122870605 564430801 /nfs/dbraw/zinc/43/08/01/564430801.db2.gz UZTPAGLOLBPZDI-CQSZACIVSA-N 0 1 398.322 3.280 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000122979823 564434627 /nfs/dbraw/zinc/43/46/27/564434627.db2.gz CTWGROHSDJQSDB-KRWDZBQOSA-N 0 1 396.373 3.068 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3COc4ccc(Br)cc43)n2)o1 ZINC000123009758 564435330 /nfs/dbraw/zinc/43/53/30/564435330.db2.gz MHHPLBKFNRGCPW-NSHDSACASA-N 0 1 389.209 3.250 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3COc4ccc(Br)cc43)n2)o1 ZINC000123009540 564435750 /nfs/dbraw/zinc/43/57/50/564435750.db2.gz MHHPLBKFNRGCPW-LLVKDONJSA-N 0 1 389.209 3.250 20 0 GGADMN Cn1cc(Br)cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000041902196 564439360 /nfs/dbraw/zinc/43/93/60/564439360.db2.gz LRNDBPJNISATQF-UHFFFAOYSA-N 0 1 376.298 3.136 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000123332124 564445148 /nfs/dbraw/zinc/44/51/48/564445148.db2.gz XGQPHMDHFMZTDD-STQMWFEESA-N 0 1 394.265 3.268 20 0 GGADMN COc1ccsc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000123405677 564447505 /nfs/dbraw/zinc/44/75/05/564447505.db2.gz JSFASYBQWZAMFZ-GOEBONIOSA-N 0 1 380.535 3.088 20 0 GGADMN COc1ccsc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000123406073 564447991 /nfs/dbraw/zinc/44/79/91/564447991.db2.gz JSFASYBQWZAMFZ-HOCLYGCPSA-N 0 1 380.535 3.088 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)[nH]1 ZINC000123431079 564449213 /nfs/dbraw/zinc/44/92/13/564449213.db2.gz BGLZTVYYZWTGKZ-UHFFFAOYSA-N 0 1 398.279 3.122 20 0 GGADMN CC(C)COCCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000042884264 564450546 /nfs/dbraw/zinc/45/05/46/564450546.db2.gz ULDSTSLWCWHYGQ-UHFFFAOYSA-N 0 1 398.345 3.202 20 0 GGADMN Cc1cccc(C(=O)N2CCN(CC(C)C)CC2)c1I ZINC000042829387 564450759 /nfs/dbraw/zinc/45/07/59/564450759.db2.gz KEAILSHMZSMFMO-UHFFFAOYSA-N 0 1 386.277 3.013 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)CN(C)[C@H]3CCSC3)cc2)cs1 ZINC000123493682 564450819 /nfs/dbraw/zinc/45/08/19/564450819.db2.gz KZAJWKAEOFXUOO-KRWDZBQOSA-N 0 1 375.563 3.215 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)CN(C)[C@@H]3CCSC3)cc2)cs1 ZINC000123493433 564450861 /nfs/dbraw/zinc/45/08/61/564450861.db2.gz KZAJWKAEOFXUOO-QGZVFWFLSA-N 0 1 375.563 3.215 20 0 GGADMN Cc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1I ZINC000043015117 564452720 /nfs/dbraw/zinc/45/27/20/564452720.db2.gz WTOBJUCQKVUYIM-UHFFFAOYSA-N 0 1 398.288 3.300 20 0 GGADMN O=C(Nc1ccccc1I)N1CCN(C2CCCC2)CC1 ZINC000043157774 564454611 /nfs/dbraw/zinc/45/46/11/564454611.db2.gz VTLLAVISESVYGO-UHFFFAOYSA-N 0 1 399.276 3.383 20 0 GGADMN Cc1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000043328365 564456969 /nfs/dbraw/zinc/45/69/69/564456969.db2.gz FFECXHVVQDVZDL-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000123674376 564457249 /nfs/dbraw/zinc/45/72/49/564457249.db2.gz BTLLTBHHYZRKON-UHFFFAOYSA-N 0 1 388.339 3.222 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000043449033 564458721 /nfs/dbraw/zinc/45/87/21/564458721.db2.gz POVWHBSQAFTMRA-OKILXGFUSA-N 0 1 384.318 3.378 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000123847924 564463288 /nfs/dbraw/zinc/46/32/88/564463288.db2.gz TYMAMBYXEFETIR-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000123925638 564466584 /nfs/dbraw/zinc/46/65/84/564466584.db2.gz LZKZMIFDNNRFMO-UHFFFAOYSA-N 0 1 388.339 3.222 20 0 GGADMN CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2Br)c1C ZINC000124004354 564468271 /nfs/dbraw/zinc/46/82/71/564468271.db2.gz CPMDUEISGFSHNO-UHFFFAOYSA-N 0 1 397.294 3.226 20 0 GGADMN OCC1(CN[C@H](c2cccc(F)c2)c2cccc(Br)c2)COC1 ZINC000124017226 564469334 /nfs/dbraw/zinc/46/93/34/564469334.db2.gz CMCVRFOKPKAZEM-KRWDZBQOSA-N 0 1 380.257 3.276 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sccc2Br)c1 ZINC000044943866 564475106 /nfs/dbraw/zinc/47/51/06/564475106.db2.gz VMLZLSHRTUHQCT-UHFFFAOYSA-N 0 1 390.280 3.262 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)NCCCc2cn[nH]c2C)cc1Br ZINC000045182452 564478598 /nfs/dbraw/zinc/47/85/98/564478598.db2.gz NJCPOFYENKMYNO-LLVKDONJSA-N 0 1 395.301 3.482 20 0 GGADMN C[C@@H]1C[N@H+](CCCNC(=O)c2cc3c(cccc3Br)[nH]2)C[C@H](C)O1 ZINC000124341949 564479011 /nfs/dbraw/zinc/47/90/11/564479011.db2.gz LDFBZIUSIDWXFV-BETUJISGSA-N 0 1 394.313 3.160 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc3c(cccc3Br)[nH]2)C[C@H](C)O1 ZINC000124341949 564479014 /nfs/dbraw/zinc/47/90/14/564479014.db2.gz LDFBZIUSIDWXFV-BETUJISGSA-N 0 1 394.313 3.160 20 0 GGADMN CNC(=O)C1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000124394065 564480695 /nfs/dbraw/zinc/48/06/95/564480695.db2.gz ZYTKQEWLMFLJRU-VXGBXAGGSA-N 0 1 386.323 3.017 20 0 GGADMN CN(C)[C@@H](CNC(=O)CSc1ccc2c(c1)OCCO2)c1ccsc1 ZINC000045443882 564483825 /nfs/dbraw/zinc/48/38/25/564483825.db2.gz QPRFMUAEOJMQPG-HNNXBMFYSA-N 0 1 378.519 3.031 20 0 GGADMN CSc1ncc(Cl)c(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)n1 ZINC000045465216 564484433 /nfs/dbraw/zinc/48/44/33/564484433.db2.gz FUCGKNHVFMYPNP-GFCCVEGCSA-N 0 1 376.913 3.029 20 0 GGADMN C[C@H](NCc1ccc(Br)c(Br)c1)C(=O)N1CCCC1 ZINC000124557289 564485458 /nfs/dbraw/zinc/48/54/58/564485458.db2.gz GEZTVQKBIRJHEO-JTQLQIEISA-N 0 1 390.119 3.312 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000124562188 564485684 /nfs/dbraw/zinc/48/56/84/564485684.db2.gz GQTQTAKMCLKZNF-UHFFFAOYSA-N 0 1 390.933 3.434 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1 ZINC000124581343 564486413 /nfs/dbraw/zinc/48/64/13/564486413.db2.gz RIMBNZAWDGPANC-UHFFFAOYSA-N 0 1 387.910 3.302 20 0 GGADMN CC(C)(CNCc1ccc(Br)c(Br)c1)S(C)(=O)=O ZINC000124575096 564486723 /nfs/dbraw/zinc/48/67/23/564486723.db2.gz WKCGHKVJKLNXFE-UHFFFAOYSA-N 0 1 399.148 3.124 20 0 GGADMN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124661287 564489289 /nfs/dbraw/zinc/48/92/89/564489289.db2.gz HFJDRDKPFGFVIO-UHFFFAOYSA-N 0 1 388.898 3.129 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1cc(F)c(F)c(F)c1F ZINC000124777519 564492387 /nfs/dbraw/zinc/49/23/87/564492387.db2.gz OIYPXLWAZRNSLU-UHFFFAOYSA-N 0 1 376.419 3.334 20 0 GGADMN O=C(CSCc1cccc(Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046048458 564493010 /nfs/dbraw/zinc/49/30/10/564493010.db2.gz ZIMJOBPUSNOQHR-GOSISDBHSA-N 0 1 382.957 3.287 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046048449 564493665 /nfs/dbraw/zinc/49/36/65/564493665.db2.gz UOZUEBCGNGNQIJ-GOSISDBHSA-N 0 1 382.957 3.287 20 0 GGADMN O=C(c1csc(-c2cccs2)n1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046047204 564493794 /nfs/dbraw/zinc/49/37/94/564493794.db2.gz QWBFMJBTZZVUHV-AWEZNQCLSA-N 0 1 377.535 3.199 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c1 ZINC000124812174 564494467 /nfs/dbraw/zinc/49/44/67/564494467.db2.gz QGGRAHUDCFQFSA-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CC[C@H]2CCCO2)CC1 ZINC000046164257 564497233 /nfs/dbraw/zinc/49/72/33/564497233.db2.gz RFUBMQFTULNIOL-OAHLLOKOSA-N 0 1 396.329 3.099 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSCc2cscn2)CC1 ZINC000124919458 564497362 /nfs/dbraw/zinc/49/73/62/564497362.db2.gz KFQGRPZHPOMEAL-UHFFFAOYSA-N 0 1 396.969 3.420 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCNC[C@H]1C ZINC000124932593 564498460 /nfs/dbraw/zinc/49/84/60/564498460.db2.gz VRQQASUQAMHKRF-LLVKDONJSA-N 0 1 381.307 3.159 20 0 GGADMN CN(Cc1ccc(Br)o1)C(=O)NCCN1CCc2ccccc2C1 ZINC000046281306 564500799 /nfs/dbraw/zinc/50/07/99/564500799.db2.gz SPCIUZWHVAXGKH-UHFFFAOYSA-N 0 1 392.297 3.242 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1cc(Br)cs1 ZINC000046281665 564500936 /nfs/dbraw/zinc/50/09/36/564500936.db2.gz RAWXLMIQKSPEFQ-UHFFFAOYSA-N 0 1 394.338 3.368 20 0 GGADMN C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1n[nH]c(C2CC2)n1 ZINC000125075930 564501872 /nfs/dbraw/zinc/50/18/72/564501872.db2.gz FYJDDYZXZVVHJB-VIFPVBQESA-N 0 1 375.372 3.257 20 0 GGADMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)s1 ZINC000125096918 564502987 /nfs/dbraw/zinc/50/29/87/564502987.db2.gz NVKFFEMLSIBLOW-UHFFFAOYSA-N 0 1 376.862 3.020 20 0 GGADMN CC(C)c1nc(C(=O)N2CCNC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000125193242 564506698 /nfs/dbraw/zinc/50/66/98/564506698.db2.gz DSHFAIHFJOTVKX-LLVKDONJSA-N 0 1 382.295 3.131 20 0 GGADMN C[C@H]1CN(CCCNC(=O)C(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000046767062 564507010 /nfs/dbraw/zinc/50/70/10/564507010.db2.gz TXGPUGIEGWCBGZ-GJZGRUSLSA-N 0 1 397.357 3.342 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)C(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000046767059 564507033 /nfs/dbraw/zinc/50/70/33/564507033.db2.gz TXGPUGIEGWCBGZ-GASCZTMLSA-N 0 1 397.357 3.342 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)n[nH]1 ZINC000481331376 564510057 /nfs/dbraw/zinc/51/00/57/564510057.db2.gz PHCFAKQKNLRFCI-ZCFIWIBFSA-N 0 1 381.824 3.307 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN(C)CCn1cccn1 ZINC000125308102 564510388 /nfs/dbraw/zinc/51/03/88/564510388.db2.gz LBWUHZOOTZGHCI-UHFFFAOYSA-N 0 1 382.302 3.193 20 0 GGADMN Cc1c([C@@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cnn1C ZINC000047007155 564511107 /nfs/dbraw/zinc/51/11/07/564511107.db2.gz WXEUPWSEQMSPQE-SSDOTTSWSA-N 0 1 376.770 3.183 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1cccs1 ZINC000125427115 564513895 /nfs/dbraw/zinc/51/38/95/564513895.db2.gz VUJIUWAFALMELK-CYBMUJFWSA-N 0 1 376.507 3.217 20 0 GGADMN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccccc1Br ZINC000047211407 564515233 /nfs/dbraw/zinc/51/52/33/564515233.db2.gz LTMVDYGRKZPUDX-UHFFFAOYSA-N 0 1 392.278 3.495 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1 ZINC000125502206 564516673 /nfs/dbraw/zinc/51/66/73/564516673.db2.gz LCKHRLKLPQSOPP-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000047303027 564517981 /nfs/dbraw/zinc/51/79/81/564517981.db2.gz OTXOWJXGMBPQNZ-ZDUSSCGKSA-N 0 1 394.313 3.017 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3cc(Cl)cc(Cl)c3)ccn2)CC1 ZINC000047398300 564519595 /nfs/dbraw/zinc/51/95/95/564519595.db2.gz DTTVPFUDQARHOY-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccnc1Br ZINC000125602283 564519762 /nfs/dbraw/zinc/51/97/62/564519762.db2.gz VKEZSVSFSDVQHU-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccn2)CC1 ZINC000047398302 564519738 /nfs/dbraw/zinc/51/97/38/564519738.db2.gz DUXUBPPEOCXCLG-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Cc2csc(-c3cccs3)n2)C[C@H](C)O1 ZINC000047433706 564520435 /nfs/dbraw/zinc/52/04/35/564520435.db2.gz CDBOPNCQYIDJSX-KBPBESRZSA-N 0 1 379.551 3.030 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000047434604 564520869 /nfs/dbraw/zinc/52/08/69/564520869.db2.gz ISMCTTZGXRSJBZ-HUUCEWRRSA-N 0 1 395.341 3.096 20 0 GGADMN C[C@H]1CNCCN1C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000125633079 564521086 /nfs/dbraw/zinc/52/10/86/564521086.db2.gz UQKXOHGCTWKPJB-LBPRGKRZSA-N 0 1 379.254 3.055 20 0 GGADMN Cc1nn(C)c2ncc(CN(C)[C@H](CO)c3cccc(Br)c3)cc12 ZINC000125691834 564523662 /nfs/dbraw/zinc/52/36/62/564523662.db2.gz ZZGCSGQFCDHLKA-QGZVFWFLSA-N 0 1 389.297 3.205 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000047771255 564525737 /nfs/dbraw/zinc/52/57/37/564525737.db2.gz BBOLDRZGDDUEKP-UHFFFAOYSA-N 0 1 389.340 3.051 20 0 GGADMN COc1cc(CN[C@H](C)C(N)=O)ccc1OCc1ccc(Br)cc1 ZINC000047699589 564525748 /nfs/dbraw/zinc/52/57/48/564525748.db2.gz REOFUQXGMMIIMK-GFCCVEGCSA-N 0 1 393.281 3.000 20 0 GGADMN COC(=O)c1cccc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1 ZINC000125767799 564525827 /nfs/dbraw/zinc/52/58/27/564525827.db2.gz FEFQJOOUHBILGG-KRWDZBQOSA-N 0 1 378.266 3.401 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@@H](c2cccs2)N(C)C)ccc1Cl ZINC000047813876 564527034 /nfs/dbraw/zinc/52/70/34/564527034.db2.gz BVGLGBSRSQSPLH-AWEZNQCLSA-N 0 1 380.901 3.186 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)ccc1Cl ZINC000047813878 564527236 /nfs/dbraw/zinc/52/72/36/564527236.db2.gz BVGLGBSRSQSPLH-CQSZACIVSA-N 0 1 380.901 3.186 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000047907760 564528201 /nfs/dbraw/zinc/52/82/01/564528201.db2.gz UEROHUIKUXKZEB-YOEHRIQHSA-N 0 1 398.345 3.166 20 0 GGADMN O=S(=O)(Nc1ccccc1-n1cccn1)c1cccc(Br)c1 ZINC000047991929 564529927 /nfs/dbraw/zinc/52/99/27/564529927.db2.gz LPXLIFWBNDYOID-UHFFFAOYSA-N 0 1 378.251 3.436 20 0 GGADMN O=C1NCCN1c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000125966843 564531878 /nfs/dbraw/zinc/53/18/78/564531878.db2.gz XEKWLJDTSUISMQ-UHFFFAOYSA-N 0 1 386.260 3.324 20 0 GGADMN O[C@H](COC1CCOCC1)CN1CCC[C@@H]1c1ccccc1Br ZINC000125945422 564532313 /nfs/dbraw/zinc/53/23/13/564532313.db2.gz IKTIXOCXJCHSDZ-KBXCAEBGSA-N 0 1 384.314 3.143 20 0 GGADMN COCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000126068404 564536158 /nfs/dbraw/zinc/53/61/58/564536158.db2.gz ZVOPEGWGTGRASX-UHFFFAOYSA-N 0 1 389.260 3.379 20 0 GGADMN C[N@H+](CCC[N-]S(=O)(=O)c1sccc1Br)C1CCCCC1 ZINC000048440964 564539493 /nfs/dbraw/zinc/53/94/93/564539493.db2.gz LFSZQNDEILAOCK-UHFFFAOYSA-N 0 1 395.388 3.444 20 0 GGADMN C[N@@H+](CCC[N-]S(=O)(=O)c1sccc1Br)C1CCCCC1 ZINC000048440964 564539495 /nfs/dbraw/zinc/53/94/95/564539495.db2.gz LFSZQNDEILAOCK-UHFFFAOYSA-N 0 1 395.388 3.444 20 0 GGADMN CCN(C[C@@H]1CCOC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000048430491 564539612 /nfs/dbraw/zinc/53/96/12/564539612.db2.gz OBSDPXOJNPIMDZ-LBPRGKRZSA-N 0 1 378.270 3.338 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)cc2Br)C[C@@H](C)O1 ZINC000048453014 564540876 /nfs/dbraw/zinc/54/08/76/564540876.db2.gz QIBKCVRMBHSFIL-VXGBXAGGSA-N 0 1 388.281 3.209 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cccc(I)c2)CC1 ZINC000048470831 564541027 /nfs/dbraw/zinc/54/10/27/564541027.db2.gz XEHPBHNLZSKZSF-UHFFFAOYSA-N 0 1 387.265 3.097 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)cc2Br)C[C@H](C)O1 ZINC000048453010 564541328 /nfs/dbraw/zinc/54/13/28/564541328.db2.gz QIBKCVRMBHSFIL-TXEJJXNPSA-N 0 1 388.281 3.209 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000048502521 564541952 /nfs/dbraw/zinc/54/19/52/564541952.db2.gz RJTFOXHVNRGMJF-HNNXBMFYSA-N 0 1 380.901 3.186 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cncc(Br)c1 ZINC000126234023 564542147 /nfs/dbraw/zinc/54/21/47/564542147.db2.gz RAKFDCNDHIVKSP-AWEZNQCLSA-N 0 1 379.258 3.396 20 0 GGADMN CS(=O)(=O)Nc1ccc(CNCc2ccc(CSC(F)F)o2)cc1 ZINC000048714684 564544431 /nfs/dbraw/zinc/54/44/31/564544431.db2.gz NUEDWEBUAKRODE-UHFFFAOYSA-N 0 1 376.450 3.397 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC(=O)NC(C)(C)C ZINC000048790139 564545211 /nfs/dbraw/zinc/54/52/11/564545211.db2.gz UMLWRLWDJFTBLJ-UHFFFAOYSA-N 0 1 393.329 3.256 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1cccs1 ZINC000048742367 564545516 /nfs/dbraw/zinc/54/55/16/564545516.db2.gz YSLNJAGJVJGABO-LBPRGKRZSA-N 0 1 386.304 3.413 20 0 GGADMN CC(C)(C)c1nnc(S[C@@H](C(N)=O)c2ccc(Br)cc2F)[nH]1 ZINC000126363528 564546941 /nfs/dbraw/zinc/54/69/41/564546941.db2.gz HGFKITDYJNHVTF-SNVBAGLBSA-N 0 1 387.278 3.323 20 0 GGADMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000049659704 564553232 /nfs/dbraw/zinc/55/32/32/564553232.db2.gz GCKKIJFBUUWMGY-UHFFFAOYSA-N 0 1 380.853 3.379 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594319 564554115 /nfs/dbraw/zinc/55/41/15/564554115.db2.gz XZVFRTSXNRAFDX-QWHCGFSZSA-N 0 1 384.237 3.371 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1F ZINC000126630522 564556037 /nfs/dbraw/zinc/55/60/37/564556037.db2.gz DKYWAYVYSSTBBI-UHFFFAOYSA-N 0 1 375.219 3.183 20 0 GGADMN Cc1ccccc1[C@@H](C)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000126630467 564556633 /nfs/dbraw/zinc/55/66/33/564556633.db2.gz FZIGNBDLTXRBAY-CYBMUJFWSA-N 0 1 380.897 3.341 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cncc(Br)c1)c1cccc(F)c1 ZINC000126705825 564558639 /nfs/dbraw/zinc/55/86/39/564558639.db2.gz MGNXPGYYFKAMDR-HNNXBMFYSA-N 0 1 381.249 3.408 20 0 GGADMN CC(C)[C@@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)N(C)C ZINC000126699759 564559281 /nfs/dbraw/zinc/55/92/81/564559281.db2.gz BWHOQFXTKFHMNL-HNNXBMFYSA-N 0 1 379.302 3.219 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2Br)C1 ZINC000050993949 564561315 /nfs/dbraw/zinc/56/13/15/564561315.db2.gz HHLJEDAWPDZBER-CQSZACIVSA-N 0 1 399.329 3.205 20 0 GGADMN O[C@H]1Cc2ccccc2[C@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000051188067 564562747 /nfs/dbraw/zinc/56/27/47/564562747.db2.gz VOOMPBBBPKNNKH-FUHWJXTLSA-N 0 1 390.277 3.358 20 0 GGADMN O=C(CSCc1cscn1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000126869927 564565672 /nfs/dbraw/zinc/56/56/72/564565672.db2.gz UZUIKZGUZRGSLP-UHFFFAOYSA-N 0 1 379.526 3.296 20 0 GGADMN O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000126901994 564566731 /nfs/dbraw/zinc/56/67/31/564566731.db2.gz UNTZWYUPQIGYTD-UHFFFAOYSA-N 0 1 375.372 3.123 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(Cl)ccc2Br)C[C@@H](C)O1 ZINC000126949323 564568647 /nfs/dbraw/zinc/56/86/47/564568647.db2.gz NXAYXHHLNNVDCC-VXGBXAGGSA-N 0 1 389.721 3.332 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cc(Cl)ccc2Br)C[C@H](C)O1 ZINC000126949140 564568714 /nfs/dbraw/zinc/56/87/14/564568714.db2.gz NXAYXHHLNNVDCC-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000127229035 564578115 /nfs/dbraw/zinc/57/81/15/564578115.db2.gz LTYMPNLTHFRVRS-HZPDHXFCSA-N 0 1 379.287 3.359 20 0 GGADMN O[C@H](COC1CCOCC1)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000127253100 564578242 /nfs/dbraw/zinc/57/82/42/564578242.db2.gz DADZLSUZUKTYOD-LIRRHRJNSA-N 0 1 379.547 3.314 20 0 GGADMN C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000052918562 564579189 /nfs/dbraw/zinc/57/91/89/564579189.db2.gz QLZSZKSGPGMAFB-LBPRGKRZSA-N 0 1 381.881 3.366 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000052941238 564580227 /nfs/dbraw/zinc/58/02/27/564580227.db2.gz WUMOPWUZHQCMGZ-RYUDHWBXSA-N 0 1 386.323 3.147 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(C)cc(Br)c3)CC2)c1 ZINC000127387795 564582878 /nfs/dbraw/zinc/58/28/78/564582878.db2.gz PMLQYZZWYVEZTQ-UHFFFAOYSA-N 0 1 390.281 3.124 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1c(Cl)ccc2cccnc21 ZINC000053220109 564583033 /nfs/dbraw/zinc/58/30/33/564583033.db2.gz PORXGNBLWMKEEI-OAHLLOKOSA-N 0 1 381.929 3.182 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000053236958 564584077 /nfs/dbraw/zinc/58/40/77/564584077.db2.gz NTTWHKQJMMMNIE-UHFFFAOYSA-N 0 1 375.822 3.325 20 0 GGADMN O=C(c1cc(Br)ccc1O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127595716 564589053 /nfs/dbraw/zinc/58/90/53/564589053.db2.gz JDALSAGHZOVULC-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127595716 564589054 /nfs/dbraw/zinc/58/90/54/564589054.db2.gz JDALSAGHZOVULC-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127595716 564589056 /nfs/dbraw/zinc/58/90/56/564589056.db2.gz JDALSAGHZOVULC-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3CCN(C(C)C)CC3)c2c1C ZINC000053458690 564589506 /nfs/dbraw/zinc/58/95/06/564589506.db2.gz HBTHSRJHBFVUJI-UHFFFAOYSA-N 0 1 378.567 3.343 20 0 GGADMN Cc1nnc(SCC(=O)Nc2nc(C)c(Cc3ccccc3F)s2)[nH]1 ZINC000053674122 564592955 /nfs/dbraw/zinc/59/29/55/564592955.db2.gz NPLZSYDYGGQAHL-UHFFFAOYSA-N 0 1 377.470 3.339 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2nc(C)c(Cc3ccccc3F)s2)n1 ZINC000053674122 564592958 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COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000057121857 564660712 /nfs/dbraw/zinc/66/07/12/564660712.db2.gz DXAIKASQRSQFQH-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000057124286 564660840 /nfs/dbraw/zinc/66/08/40/564660840.db2.gz WFRXWXBGNMHFHG-UHFFFAOYSA-N 0 1 377.796 3.444 20 0 GGADMN COCCOc1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000057126036 564660935 /nfs/dbraw/zinc/66/09/35/564660935.db2.gz ZLOVWCJDDHVKJA-UHFFFAOYSA-N 0 1 386.267 3.275 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000057128958 564661801 /nfs/dbraw/zinc/66/18/01/564661801.db2.gz HZSPRKNUZKGTKB-UHFFFAOYSA-N 0 1 383.265 3.094 20 0 GGADMN C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000129878440 564664144 /nfs/dbraw/zinc/66/41/44/564664144.db2.gz ODUBVWFSYLQFSB-YPMHNXCESA-N 0 1 378.270 3.072 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000057425295 564668023 /nfs/dbraw/zinc/66/80/23/564668023.db2.gz YTZQUNZKMOLBMY-AWEZNQCLSA-N 0 1 387.332 3.445 20 0 GGADMN Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)o1 ZINC000057468955 564668723 /nfs/dbraw/zinc/66/87/23/564668723.db2.gz HRZIBKPMCNPXDS-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN C[C@H](O)[C@@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000130079905 564668853 /nfs/dbraw/zinc/66/88/53/564668853.db2.gz TWMRWOVETPMRNO-WCQYABFASA-N 0 1 378.270 3.072 20 0 GGADMN NC(=O)CN(Cc1ccc(Br)c(Br)c1)C1CCCC1 ZINC000130083480 564669513 /nfs/dbraw/zinc/66/95/13/564669513.db2.gz YJYTVLMUJVUZJQ-UHFFFAOYSA-N 0 1 390.119 3.442 20 0 GGADMN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(Cl)cc1F ZINC000057783864 564674368 /nfs/dbraw/zinc/67/43/68/564674368.db2.gz WHRHTTAZVJREBW-UHFFFAOYSA-N 0 1 379.800 3.443 20 0 GGADMN Cc1ccccc1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000057819557 564675320 /nfs/dbraw/zinc/67/53/20/564675320.db2.gz BBXXJCSCXDWHIW-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C(=O)OC)cc1 ZINC000057944472 564676904 /nfs/dbraw/zinc/67/69/04/564676904.db2.gz RUMZOAZCADCRPN-CQSZACIVSA-N 0 1 383.897 3.450 20 0 GGADMN CCCCNC(=O)C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000130445528 564681107 /nfs/dbraw/zinc/68/11/07/564681107.db2.gz DBJWWHUOGHEWQW-KRWDZBQOSA-N 0 1 383.330 3.111 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C)sc2C)c1 ZINC000130425821 564681289 /nfs/dbraw/zinc/68/12/89/564681289.db2.gz JPTIVECOMDWYSO-AWEZNQCLSA-N 0 1 382.551 3.140 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)cc1Cl ZINC000130469056 564682129 /nfs/dbraw/zinc/68/21/29/564682129.db2.gz WMXIMYGKHLZBRU-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc(Br)c[nH]2)N2CCCC2)cc1 ZINC000058348268 564682140 /nfs/dbraw/zinc/68/21/40/564682140.db2.gz HAXPYAIUKYAXHA-KRWDZBQOSA-N 0 1 392.297 3.353 20 0 GGADMN O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(F)c(Cl)c1 ZINC000058733666 564688183 /nfs/dbraw/zinc/68/81/83/564688183.db2.gz CWRGUMQMQDEVEK-UHFFFAOYSA-N 0 1 382.888 3.206 20 0 GGADMN NC(=O)[C@H]1CCCC[C@H]1NCc1ncc(-c2ccccc2Br)o1 ZINC000130674373 564689341 /nfs/dbraw/zinc/68/93/41/564689341.db2.gz KWQJIRROYRZDNT-GXTWGEPZSA-N 0 1 378.270 3.238 20 0 GGADMN CN(CC(=O)NCC(C)(C)c1cccc(Br)c1)[C@H]1CCSC1 ZINC000130710244 564689621 /nfs/dbraw/zinc/68/96/21/564689621.db2.gz XDDHIUYNVCTBPR-HNNXBMFYSA-N 0 1 385.371 3.280 20 0 GGADMN NC(=O)[C@H](NCCc1nc2c(s1)CCCC2)c1cccc(Br)c1 ZINC000130708007 564689763 /nfs/dbraw/zinc/68/97/63/564689763.db2.gz VQEUVZIIYARTFJ-MRXNPFEDSA-N 0 1 394.338 3.143 20 0 GGADMN O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000059376234 564693716 /nfs/dbraw/zinc/69/37/16/564693716.db2.gz KPKYIIPPGOCFSS-OKZBNKHCSA-N 0 1 384.314 3.143 20 0 GGADMN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1n[nH]c2ccccc21 ZINC000060084439 564694259 /nfs/dbraw/zinc/69/42/59/564694259.db2.gz UFKYPALATLNKBP-JTQLQIEISA-N 0 1 380.231 3.039 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2[O-])[NH+](C)C)c1 ZINC000060108320 564694331 /nfs/dbraw/zinc/69/43/31/564694331.db2.gz ZXLQRDLBGTWOSM-MRXNPFEDSA-N 0 1 393.281 3.196 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Br)cn1C ZINC000130925572 564695413 /nfs/dbraw/zinc/69/54/13/564695413.db2.gz JAFPCRLECRYGFF-UHFFFAOYSA-N 0 1 391.313 3.100 20 0 GGADMN CSC[C@H](C)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000130992181 564697675 /nfs/dbraw/zinc/69/76/75/564697675.db2.gz XKRPSZWVMYKHEP-LBPRGKRZSA-N 0 1 384.548 3.339 20 0 GGADMN CN(C)[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1Cl ZINC000060497440 564699493 /nfs/dbraw/zinc/69/94/93/564699493.db2.gz IPHNWLHLLJXUMX-HNNXBMFYSA-N 0 1 392.830 3.339 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1F ZINC000131085916 564700302 /nfs/dbraw/zinc/70/03/02/564700302.db2.gz LTCXAJLJMYPQPL-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CN(C)C(=O)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000061030346 564703774 /nfs/dbraw/zinc/70/37/74/564703774.db2.gz XBOVARHDZUYCSB-UHFFFAOYSA-N 0 1 380.275 3.424 20 0 GGADMN CCNC(=O)CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000061015583 564703826 /nfs/dbraw/zinc/70/38/26/564703826.db2.gz QDLBKKWSTKHIMP-UHFFFAOYSA-N 0 1 380.275 3.471 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000131198867 564704185 /nfs/dbraw/zinc/70/41/85/564704185.db2.gz KHNVMTIBXHGUKU-HUUCEWRRSA-N 0 1 378.270 3.238 20 0 GGADMN C[C@H]1CNCCN1C(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC000131235828 564705027 /nfs/dbraw/zinc/70/50/27/564705027.db2.gz KKYAUKHLUAFMCP-LBPRGKRZSA-N 0 1 392.322 3.429 20 0 GGADMN O=C(c1ccc(Br)s1)N1CCC(CCN2CCOCC2)CC1 ZINC000061648706 564707782 /nfs/dbraw/zinc/70/77/82/564707782.db2.gz MCWBIIKPDCFQFP-UHFFFAOYSA-N 0 1 387.343 3.085 20 0 GGADMN O=C(CSc1ccc(Cl)cc1)N1CCC(CCN2CCOCC2)CC1 ZINC000061648817 564708296 /nfs/dbraw/zinc/70/82/96/564708296.db2.gz NBKWBNKCCZTHCO-UHFFFAOYSA-N 0 1 382.957 3.393 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000061781877 564709480 /nfs/dbraw/zinc/70/94/80/564709480.db2.gz QNIUWEYVHPCETA-HNNXBMFYSA-N 0 1 380.275 3.351 20 0 GGADMN Brc1cc(CNCc2cccc3c2OCCO3)cc2c1OCCO2 ZINC000062256640 564711517 /nfs/dbraw/zinc/71/15/17/564711517.db2.gz NWISNRCLRDSTET-UHFFFAOYSA-N 0 1 392.249 3.281 20 0 GGADMN COc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1O ZINC000062256707 564711529 /nfs/dbraw/zinc/71/15/29/564711529.db2.gz JFSZPBDWDOJCJP-UHFFFAOYSA-N 0 1 380.238 3.224 20 0 GGADMN CC(C)(C)n1cc(CNCc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000062256617 564711621 /nfs/dbraw/zinc/71/16/21/564711621.db2.gz JCDDKYJOIHOABJ-UHFFFAOYSA-N 0 1 380.286 3.462 20 0 GGADMN CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000131454752 564712634 /nfs/dbraw/zinc/71/26/34/564712634.db2.gz NQDZWIGTACQXID-CQSZACIVSA-N 0 1 381.567 3.457 20 0 GGADMN OC[C@H](Cc1ccccc1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000131501530 564713721 /nfs/dbraw/zinc/71/37/21/564713721.db2.gz VRXZSVXIBDDEGM-AWEZNQCLSA-N 0 1 377.275 3.267 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000131521070 564714545 /nfs/dbraw/zinc/71/45/45/564714545.db2.gz IUZOLWSAMDIAPJ-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)CCNCc1c(Cl)cnn1C ZINC000131559563 564715540 /nfs/dbraw/zinc/71/55/40/564715540.db2.gz JSDDKBPLMRGJDJ-UHFFFAOYSA-N 0 1 385.693 3.263 20 0 GGADMN Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497602 564717763 /nfs/dbraw/zinc/71/77/63/564717763.db2.gz SHEYJBPBIBMKPC-UHFFFAOYSA-N 0 1 390.241 3.410 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1Br ZINC000131625296 564718590 /nfs/dbraw/zinc/71/85/90/564718590.db2.gz HJZRKXMSEJIBBU-MRXNPFEDSA-N 0 1 381.314 3.481 20 0 GGADMN COC(=O)CCN(CC(=O)Nc1ccc(Br)cc1F)CC(C)C ZINC000063513384 564718952 /nfs/dbraw/zinc/71/89/52/564718952.db2.gz SKORMTCBYSPISW-UHFFFAOYSA-N 0 1 389.265 3.048 20 0 GGADMN C[C@H]1CN(CCCNC(=O)CCOc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000063662606 564720670 /nfs/dbraw/zinc/72/06/70/564720670.db2.gz YWEHKGAKKUCMAC-KBPBESRZSA-N 0 1 389.323 3.378 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000131730478 564722394 /nfs/dbraw/zinc/72/23/94/564722394.db2.gz YWGNMCUHQGWXSG-UHFFFAOYSA-N 0 1 378.759 3.259 20 0 GGADMN O=S(=O)(Nc1cccc2c1OCCO2)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912862 564725553 /nfs/dbraw/zinc/72/55/53/564725553.db2.gz XNNZGHFDNHZMTO-UHFFFAOYSA-N 0 1 377.315 3.417 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000131868043 564727068 /nfs/dbraw/zinc/72/70/68/564727068.db2.gz MEJKKIPWIFKNKE-QMMMGPOBSA-N 0 1 389.257 3.316 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c(Cl)c1 ZINC000064373916 564728438 /nfs/dbraw/zinc/72/84/38/564728438.db2.gz QWVYCSGUKKZAJC-UHFFFAOYSA-N 0 1 388.898 3.129 20 0 GGADMN O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000131951244 564729196 /nfs/dbraw/zinc/72/91/96/564729196.db2.gz DUDUTIUQFRNTGB-NSHDSACASA-N 0 1 384.864 3.043 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H]2CCc3cc(Br)ccc32)c1 ZINC000131958076 564729508 /nfs/dbraw/zinc/72/95/08/564729508.db2.gz PDNYKGDJQNCUOF-KRWDZBQOSA-N 0 1 395.322 3.134 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000131969113 564729742 /nfs/dbraw/zinc/72/97/42/564729742.db2.gz DZMSKXIANFAHMN-QGZVFWFLSA-N 0 1 380.897 3.252 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000064474926 564730875 /nfs/dbraw/zinc/73/08/75/564730875.db2.gz SWQVPLVLPRWPKE-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000132038791 564731815 /nfs/dbraw/zinc/73/18/15/564731815.db2.gz MOWJBKWJPUTVBQ-ZDUSSCGKSA-N 0 1 380.535 3.176 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)cc(F)c1 ZINC000064599476 564732822 /nfs/dbraw/zinc/73/28/22/564732822.db2.gz FFYRNFSGFYTTHC-ZDUSSCGKSA-N 0 1 386.489 3.217 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c1 ZINC000132187225 564736202 /nfs/dbraw/zinc/73/62/02/564736202.db2.gz UQELEIRRHGYBFB-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)c1 ZINC000132223729 564736391 /nfs/dbraw/zinc/73/63/91/564736391.db2.gz WBKCTTCDLKZCKX-UHFFFAOYSA-N 0 1 380.214 3.306 20 0 GGADMN Cc1cc(NC(=O)CN[C@]2(CO)CCc3ccccc32)ccc1Br ZINC000132249988 564737224 /nfs/dbraw/zinc/73/72/24/564737224.db2.gz LBJBJBRYGAEMDR-IBGZPJMESA-N 0 1 389.293 3.120 20 0 GGADMN CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1csc(Br)c1 ZINC000064994253 564737830 /nfs/dbraw/zinc/73/78/30/564737830.db2.gz WZOASYXRPIMPDE-UHFFFAOYSA-N 0 1 378.295 3.422 20 0 GGADMN C[N@H+](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCSC1 ZINC000132270717 564738308 /nfs/dbraw/zinc/73/83/08/564738308.db2.gz QGUSJFOEXOCNKL-VIFPVBQESA-N 0 1 379.707 3.184 20 0 GGADMN C[N@@H+](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCSC1 ZINC000132270717 564738310 /nfs/dbraw/zinc/73/83/10/564738310.db2.gz QGUSJFOEXOCNKL-VIFPVBQESA-N 0 1 379.707 3.184 20 0 GGADMN C[N@H+](CCNC(=O)c1ccc(Br)c([O-])c1)Cc1ccc(F)cc1 ZINC000132352494 564740991 /nfs/dbraw/zinc/74/09/91/564740991.db2.gz MVWZOULREBCGAA-UHFFFAOYSA-N 0 1 381.245 3.156 20 0 GGADMN C[N@@H+](CCNC(=O)c1ccc(Br)c([O-])c1)Cc1ccc(F)cc1 ZINC000132352494 564740995 /nfs/dbraw/zinc/74/09/95/564740995.db2.gz MVWZOULREBCGAA-UHFFFAOYSA-N 0 1 381.245 3.156 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N(C[C@H]1CCOC1)C1CC1 ZINC000065109328 564741032 /nfs/dbraw/zinc/74/10/32/564741032.db2.gz VJVGZCJTXKZGCI-GFCCVEGCSA-N 0 1 390.281 3.480 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3O)cc2C[C@H]1C ZINC000132455960 564744034 /nfs/dbraw/zinc/74/40/34/564744034.db2.gz QVJKAEDKJXOFHG-SNVBAGLBSA-N 0 1 380.853 3.144 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)c1c[nH]c2ccccc2c1=O ZINC000065604746 564745358 /nfs/dbraw/zinc/74/53/58/564745358.db2.gz OURMEVYIMATZIW-UHFFFAOYSA-N 0 1 389.224 3.402 20 0 GGADMN Cc1cc(Br)ccc1CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000132559658 564747123 /nfs/dbraw/zinc/74/71/23/564747123.db2.gz ZMHRIZIFIUNNRA-UHFFFAOYSA-N 0 1 386.286 3.460 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1Br ZINC000065833956 564749795 /nfs/dbraw/zinc/74/97/95/564749795.db2.gz FNCLPMAJQVVCFZ-UHFFFAOYSA-N 0 1 388.287 3.210 20 0 GGADMN COC(=O)c1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)o1 ZINC000132689762 564749808 /nfs/dbraw/zinc/74/98/08/564749808.db2.gz CHIGFSOKKSVSGP-UHFFFAOYSA-N 0 1 377.809 3.414 20 0 GGADMN CN(Cc1coc(-c2ccc(I)cc2)n1)C[C@@H]1CCOC1 ZINC000132761003 564751864 /nfs/dbraw/zinc/75/18/64/564751864.db2.gz ZZJPFGRQJUPRDK-LBPRGKRZSA-N 0 1 398.244 3.415 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1cc(F)cc2nc[nH]c21 ZINC000065911078 564752064 /nfs/dbraw/zinc/75/20/64/564752064.db2.gz IGKSAGNLZFFSGI-UHFFFAOYSA-N 0 1 378.201 3.273 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000065972388 564752557 /nfs/dbraw/zinc/75/25/57/564752557.db2.gz NXKQJBVJTQYOPC-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(F)ccc1F ZINC000065972217 564753223 /nfs/dbraw/zinc/75/32/23/564753223.db2.gz CUBIKKVDJNLZJG-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1Cl ZINC000065972527 564753546 /nfs/dbraw/zinc/75/35/46/564753546.db2.gz QYZNOMOYDFHWJD-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1cccc(F)c1 ZINC000132839833 564754803 /nfs/dbraw/zinc/75/48/03/564754803.db2.gz TWVRULVCONQOEV-HNNXBMFYSA-N 0 1 381.245 3.327 20 0 GGADMN CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2O)cc1 ZINC000066046721 564754941 /nfs/dbraw/zinc/75/49/41/564754941.db2.gz GSNSUVKQJPZJMS-UHFFFAOYSA-N 0 1 377.238 3.038 20 0 GGADMN O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000066044904 564755157 /nfs/dbraw/zinc/75/51/57/564755157.db2.gz DWZBPFLHQGXXRR-UHFFFAOYSA-N 0 1 389.293 3.333 20 0 GGADMN O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1[O-] ZINC000066044904 564755161 /nfs/dbraw/zinc/75/51/61/564755161.db2.gz DWZBPFLHQGXXRR-UHFFFAOYSA-N 0 1 389.293 3.333 20 0 GGADMN C[N@H+](CCCNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000132886140 564756142 /nfs/dbraw/zinc/75/61/42/564756142.db2.gz KQXOXJJOJCXJLM-UHFFFAOYSA-N 0 1 377.282 3.407 20 0 GGADMN C[N@@H+](CCCNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000132886140 564756145 /nfs/dbraw/zinc/75/61/45/564756145.db2.gz KQXOXJJOJCXJLM-UHFFFAOYSA-N 0 1 377.282 3.407 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1I ZINC000132915789 564757112 /nfs/dbraw/zinc/75/71/12/564757112.db2.gz WBNWOIGOTZKXHE-LLVKDONJSA-N 0 1 381.217 3.381 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)cc1OC ZINC000066249831 564758996 /nfs/dbraw/zinc/75/89/96/564758996.db2.gz FCKFLQVUGYITBW-UHFFFAOYSA-N 0 1 378.475 3.153 20 0 GGADMN CCCCN(C)CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000132965402 564758986 /nfs/dbraw/zinc/75/89/86/564758986.db2.gz WFYAROPIIFFFBM-UHFFFAOYSA-N 0 1 380.535 3.043 20 0 GGADMN C[C@H]1CCN(C(=O)CSCc2cscn2)CCN1Cc1ccccc1 ZINC000133002651 564759879 /nfs/dbraw/zinc/75/98/79/564759879.db2.gz FGOJBYXKISFRTP-INIZCTEOSA-N 0 1 375.563 3.499 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000066306325 564761399 /nfs/dbraw/zinc/76/13/99/564761399.db2.gz IKJNYTQAORZLQS-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(OC)cc1C ZINC000066306316 564761789 /nfs/dbraw/zinc/76/17/89/564761789.db2.gz MRPDAHZZTMPJPP-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN CCCOc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000133060852 564761936 /nfs/dbraw/zinc/76/19/36/564761936.db2.gz CVRQTHCOWGYQEN-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000133154738 564764794 /nfs/dbraw/zinc/76/47/94/564764794.db2.gz SAPCHJPMJGJWFD-UHFFFAOYSA-N 0 1 377.238 3.038 20 0 GGADMN C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000133167128 564765026 /nfs/dbraw/zinc/76/50/26/564765026.db2.gz NHCSOSFCDNDBOJ-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc(Cl)ccc1O ZINC000133177443 564765905 /nfs/dbraw/zinc/76/59/05/564765905.db2.gz QAEJNKVLYAUJQK-UHFFFAOYSA-N 0 1 376.865 3.487 20 0 GGADMN Cc1cc(NC(=O)CNC(=O)c2ccc(O)c(Cl)c2)ccc1Br ZINC000133175001 564765943 /nfs/dbraw/zinc/76/59/43/564765943.db2.gz YLIYVLULBDYROW-UHFFFAOYSA-N 0 1 397.656 3.485 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)NCc2ccc(Cl)s2)C1 ZINC000066474434 564766611 /nfs/dbraw/zinc/76/66/11/564766611.db2.gz KYCIDJOGCBMCHS-UONOGXRCSA-N 0 1 385.961 3.035 20 0 GGADMN O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(Br)c(O)c1 ZINC000133266286 564768292 /nfs/dbraw/zinc/76/82/92/564768292.db2.gz JGFRRWJYENRHKJ-UHFFFAOYSA-N 0 1 391.265 3.239 20 0 GGADMN C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000133304605 564769731 /nfs/dbraw/zinc/76/97/31/564769731.db2.gz FURZWHZIBHTQOR-CYBMUJFWSA-N 0 1 389.293 3.331 20 0 GGADMN C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000133304605 564769733 /nfs/dbraw/zinc/76/97/33/564769733.db2.gz FURZWHZIBHTQOR-CYBMUJFWSA-N 0 1 389.293 3.331 20 0 GGADMN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000066585961 564770139 /nfs/dbraw/zinc/77/01/39/564770139.db2.gz NTSNAXFJJIRZJN-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1Cl ZINC000066588371 564770320 /nfs/dbraw/zinc/77/03/20/564770320.db2.gz YUPMQHGYJIYXFP-UHFFFAOYSA-N 0 1 395.836 3.131 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cn1 ZINC000133363480 564771459 /nfs/dbraw/zinc/77/14/59/564771459.db2.gz HBYXQOSQRPFSQY-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000133450468 564774357 /nfs/dbraw/zinc/77/43/57/564774357.db2.gz WLFCZRVQCCCMTI-UHFFFAOYSA-N 0 1 377.388 3.087 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000066879747 564777570 /nfs/dbraw/zinc/77/75/70/564777570.db2.gz QRGRECRLQYIASZ-CYBMUJFWSA-N 0 1 376.469 3.095 20 0 GGADMN CSC[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000133577242 564778341 /nfs/dbraw/zinc/77/83/41/564778341.db2.gz KPGDTDORSGWHNI-DOMZBBRYSA-N 0 1 375.460 3.330 20 0 GGADMN CN1CCN(CCNC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000066942403 564779567 /nfs/dbraw/zinc/77/95/67/564779567.db2.gz PFOKIBLOICYBLW-UHFFFAOYSA-N 0 1 399.347 3.094 20 0 GGADMN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cncc(F)c1 ZINC000067004937 564781169 /nfs/dbraw/zinc/78/11/69/564781169.db2.gz MJMWMJQCTCYVQW-UHFFFAOYSA-N 0 1 384.795 3.059 20 0 GGADMN Cc1ccc2nc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)sc2c1 ZINC000067049521 564782361 /nfs/dbraw/zinc/78/23/61/564782361.db2.gz GJVBNGDHNMCRFX-UHFFFAOYSA-N 0 1 379.438 3.368 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cc(I)cc(C)c1C ZINC000133848327 564786687 /nfs/dbraw/zinc/78/66/87/564786687.db2.gz LKBXULUECJNMCN-UHFFFAOYSA-N 0 1 397.260 3.302 20 0 GGADMN CC(C)NS(=O)(=O)c1cccc(CNCc2ccc(Br)cc2)c1 ZINC000067216867 564787135 /nfs/dbraw/zinc/78/71/35/564787135.db2.gz CXOSCVXISCBYIB-UHFFFAOYSA-N 0 1 397.338 3.426 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133864943 564787495 /nfs/dbraw/zinc/78/74/95/564787495.db2.gz DAGHSSSDZWKVKN-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133864708 564788162 /nfs/dbraw/zinc/78/81/62/564788162.db2.gz DAGHSSSDZWKVKN-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1N1CCCS1(=O)=O ZINC000133988131 564791053 /nfs/dbraw/zinc/79/10/53/564791053.db2.gz HKZQTBAGESISJE-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN CCc1nc(SCc2nc(Cc3cccc(Br)c3)no2)n[nH]1 ZINC000067429021 564792087 /nfs/dbraw/zinc/79/20/87/564792087.db2.gz WXRXIZJXBNCTCR-UHFFFAOYSA-N 0 1 380.271 3.396 20 0 GGADMN CCc1n[nH]c(SCc2nc(Cc3cccc(Br)c3)no2)n1 ZINC000067429021 564792090 /nfs/dbraw/zinc/79/20/90/564792090.db2.gz WXRXIZJXBNCTCR-UHFFFAOYSA-N 0 1 380.271 3.396 20 0 GGADMN O=S(=O)(CCNCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000067449941 564793716 /nfs/dbraw/zinc/79/37/16/564793716.db2.gz IEIDNIAITWFVDT-UHFFFAOYSA-N 0 1 375.881 3.089 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000134184628 564795094 /nfs/dbraw/zinc/79/50/94/564795094.db2.gz AKWYJZHKEXYWOP-SMDDNHRTSA-N 0 1 380.901 3.005 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cnc(C3CC3)s2)cc1 ZINC000134233667 564797488 /nfs/dbraw/zinc/79/74/88/564797488.db2.gz WHJBASGLJRLUOR-UHFFFAOYSA-N 0 1 379.551 3.339 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000067705196 564797870 /nfs/dbraw/zinc/79/78/70/564797870.db2.gz VIAKFHMQNYWGRN-INIZCTEOSA-N 0 1 396.329 3.029 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000067705195 564798121 /nfs/dbraw/zinc/79/81/21/564798121.db2.gz VIAKFHMQNYWGRN-MRXNPFEDSA-N 0 1 396.329 3.029 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000067826677 564800067 /nfs/dbraw/zinc/80/00/67/564800067.db2.gz PQVAHESYKWIOLR-MRXNPFEDSA-N 0 1 376.254 3.263 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000528694417 564800836 /nfs/dbraw/zinc/80/08/36/564800836.db2.gz UTOYVFWPBIVRFA-HNNXBMFYSA-N 0 1 392.301 3.097 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000528685916 564800935 /nfs/dbraw/zinc/80/09/35/564800935.db2.gz FJKUPMHZIIFPHL-LBPRGKRZSA-N 0 1 383.880 3.459 20 0 GGADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](CO)C(C)(C)C ZINC000134401369 564802238 /nfs/dbraw/zinc/80/22/38/564802238.db2.gz YZJNHIVGPCCVQM-LBPRGKRZSA-N 0 1 379.245 3.005 20 0 GGADMN CC(C)[C@@H](N[C@@H]1CCc2c1c(Br)ccc2F)C(=O)N1CCOCC1 ZINC000134433864 564803525 /nfs/dbraw/zinc/80/35/25/564803525.db2.gz BVUGBGUYXSZSIW-NVXWUHKLSA-N 0 1 399.304 3.049 20 0 GGADMN O=C(Nc1cccc(Cl)c1)c1ccc(NCCN2CCSCC2)nc1 ZINC000492953047 564805669 /nfs/dbraw/zinc/80/56/69/564805669.db2.gz NSSPTJXQKVMJQD-UHFFFAOYSA-N 0 1 376.913 3.448 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2[nH]c3ccccc3c2Br)C[C@@H](C)O1 ZINC000068031406 564807021 /nfs/dbraw/zinc/80/70/21/564807021.db2.gz SJNBLTDTBOMBAF-CHWSQXEVSA-N 0 1 394.313 3.160 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000134553261 564807130 /nfs/dbraw/zinc/80/71/30/564807130.db2.gz HPCMFGNYDBNVHV-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CCN(CC)CC(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 ZINC000068064074 564807514 /nfs/dbraw/zinc/80/75/14/564807514.db2.gz RSLCTLUFJLLKQB-UHFFFAOYSA-N 0 1 380.539 3.096 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076382 564807621 /nfs/dbraw/zinc/80/76/21/564807621.db2.gz KXSUJHUCCZYQML-UHFFFAOYSA-N 0 1 383.853 3.196 20 0 GGADMN Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1Br ZINC000068063733 564807661 /nfs/dbraw/zinc/80/76/61/564807661.db2.gz ZJBOETVANRTEMS-UHFFFAOYSA-N 0 1 383.267 3.381 20 0 GGADMN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ncccc1O ZINC000134648394 564811066 /nfs/dbraw/zinc/81/10/66/564811066.db2.gz YPZJNJZZVJIFCE-UHFFFAOYSA-N 0 1 387.193 3.384 20 0 GGADMN CCOc1cc(Br)c(CC(=O)NCc2cn[nH]c2C)cc1OCC ZINC000068271546 564812710 /nfs/dbraw/zinc/81/27/10/564812710.db2.gz IPCYYBGAVUFSIS-UHFFFAOYSA-N 0 1 396.285 3.137 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000068317411 564814784 /nfs/dbraw/zinc/81/47/84/564814784.db2.gz ILOFEOBVVJSSDN-CYBMUJFWSA-N 0 1 397.953 3.481 20 0 GGADMN COc1ccc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)cc1Cl ZINC000134894605 564817884 /nfs/dbraw/zinc/81/78/84/564817884.db2.gz FQHLQLYFLXXWQE-UHFFFAOYSA-N 0 1 386.876 3.028 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000068397374 564817995 /nfs/dbraw/zinc/81/79/95/564817995.db2.gz CGRVHYOPCIXRRZ-JTQLQIEISA-N 0 1 386.832 3.253 20 0 GGADMN CN(CCCCCn1cccn1)CC(=O)Nc1ccccc1Br ZINC000068457393 564819500 /nfs/dbraw/zinc/81/95/00/564819500.db2.gz YJERTSIXWZKWJG-UHFFFAOYSA-N 0 1 379.302 3.386 20 0 GGADMN Cc1nc(CCC(=O)N2CC(N(C)C)C2)oc1-c1ccc(Br)cc1 ZINC000134956790 564820395 /nfs/dbraw/zinc/82/03/95/564820395.db2.gz QZZZCQOZXWGWKX-UHFFFAOYSA-N 0 1 392.297 3.118 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135175894 564825252 /nfs/dbraw/zinc/82/52/52/564825252.db2.gz ZUNHUGILFQVSCJ-LRDDRELGSA-N 0 1 382.892 3.428 20 0 GGADMN O[C@@H]1CCCC[C@H]1CNCc1ncc(Br)cc1Br ZINC000135304051 564828476 /nfs/dbraw/zinc/82/84/76/564828476.db2.gz FMJGZKYAZVBRPS-TVQRCGJNSA-N 0 1 378.108 3.247 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)CCc3cc(Cl)cs3)n2)cc1 ZINC000135456134 564832437 /nfs/dbraw/zinc/83/24/37/564832437.db2.gz GMKLSONHTJEHNV-UHFFFAOYSA-N 0 1 376.869 3.444 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)CCc3cc(Cl)cs3)n[nH]2)cc1 ZINC000135456134 564832440 /nfs/dbraw/zinc/83/24/40/564832440.db2.gz GMKLSONHTJEHNV-UHFFFAOYSA-N 0 1 376.869 3.444 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(Br)ccc2[O-])[NH+](C)C)c1 ZINC000069232907 564836563 /nfs/dbraw/zinc/83/65/63/564836563.db2.gz RBCMIGGTSHGVFW-INIZCTEOSA-N 0 1 393.281 3.196 20 0 GGADMN O=S(=O)(CCNCc1cnc(C2CCCC2)s1)NCc1ccccc1 ZINC000135967596 564842653 /nfs/dbraw/zinc/84/26/53/564842653.db2.gz AUFPAVKQGJRLJQ-UHFFFAOYSA-N 0 1 379.551 3.010 20 0 GGADMN O=C(/C=C/c1ccc(Br)s1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069744455 564843529 /nfs/dbraw/zinc/84/35/29/564843529.db2.gz ATWJFFTYFXIVMO-YVARQFDVSA-N 0 1 399.354 3.095 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)c1ccsc1 ZINC000070017577 564848577 /nfs/dbraw/zinc/84/85/77/564848577.db2.gz IIIGHDYRWIBAIU-INIZCTEOSA-N 0 1 375.885 3.015 20 0 GGADMN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000070447761 564849103 /nfs/dbraw/zinc/84/91/03/564849103.db2.gz RTLHADHPJZWGPQ-JTQLQIEISA-N 0 1 390.130 3.018 20 0 GGADMN O[C@H](CNCc1cc(F)c(F)cc1F)COc1ccccc1Br ZINC000136364583 564849393 /nfs/dbraw/zinc/84/93/93/564849393.db2.gz KBBLOLNTHVIUCM-LLVKDONJSA-N 0 1 390.199 3.396 20 0 GGADMN COCCn1ncc2ccc(NS(=O)(=O)c3ccc(C)cc3Cl)cc21 ZINC000070783572 564851311 /nfs/dbraw/zinc/85/13/11/564851311.db2.gz KNOXYERQWYQTTC-UHFFFAOYSA-N 0 1 379.869 3.445 20 0 GGADMN C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000136521127 564851727 /nfs/dbraw/zinc/85/17/27/564851727.db2.gz GHHBADWAPUULTH-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN C[C@@H](NCc1cc(Br)cs1)c1cccc(S(N)(=O)=O)c1 ZINC000071307809 564855899 /nfs/dbraw/zinc/85/58/99/564855899.db2.gz XSHAFVLSHSUJEV-SECBINFHSA-N 0 1 375.313 3.009 20 0 GGADMN COc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)sc1Br ZINC000136915398 564856819 /nfs/dbraw/zinc/85/68/19/564856819.db2.gz KKPAXHXSCFYDQU-UHFFFAOYSA-N 0 1 384.230 3.465 20 0 GGADMN O[C@H](COCc1cccs1)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000071816649 564857335 /nfs/dbraw/zinc/85/73/35/564857335.db2.gz WGOSIXIMUSNVTB-SFHVURJKSA-N 0 1 380.941 3.097 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000071845350 564858060 /nfs/dbraw/zinc/85/80/60/564858060.db2.gz LCHHVLGZFOFZTF-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000071925693 564858977 /nfs/dbraw/zinc/85/89/77/564858977.db2.gz OQTYDRLAWCXTMZ-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCc3cc(Br)ccc32)n[nH]1 ZINC000137394724 564862230 /nfs/dbraw/zinc/86/22/30/564862230.db2.gz FQIXRSOTFPEKSI-MGPLVRAMSA-N 0 1 377.286 3.398 20 0 GGADMN CC1CCN(CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000137468587 564862423 /nfs/dbraw/zinc/86/24/23/564862423.db2.gz HKWCUXPXHBXRHY-INIZCTEOSA-N 0 1 394.357 3.124 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)CCCCc2cn[nH]n2)cc1Br ZINC000138181094 564865129 /nfs/dbraw/zinc/86/51/29/564865129.db2.gz AALVGFVRESOFTC-LLVKDONJSA-N 0 1 381.274 3.166 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000079103816 564866742 /nfs/dbraw/zinc/86/67/42/564866742.db2.gz MEMXLWXTZZBKML-UHFFFAOYSA-N 0 1 378.460 3.341 20 0 GGADMN Cc1nn(CC(=O)Nc2cccc(CN3CCSCC3)c2)c(C)c1Cl ZINC000138593037 564866882 /nfs/dbraw/zinc/86/68/82/564866882.db2.gz RXLDDXVEASJZBR-UHFFFAOYSA-N 0 1 378.929 3.341 20 0 GGADMN CC(C)(N)c1noc(COc2ccc(Br)cc2Br)n1 ZINC000084402976 564868986 /nfs/dbraw/zinc/86/89/86/564868986.db2.gz BJOJXOAUIYFSEG-UHFFFAOYSA-N 0 1 391.063 3.367 20 0 GGADMN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CCCCc1cn[nH]n1 ZINC000139387667 564869137 /nfs/dbraw/zinc/86/91/37/564869137.db2.gz FTCPRSYUEURMQX-UHFFFAOYSA-N 0 1 391.313 3.470 20 0 GGADMN C[C@@H](c1ccccc1Br)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000139737666 564869766 /nfs/dbraw/zinc/86/97/66/564869766.db2.gz GLLOFBYLDAVUMA-AWEZNQCLSA-N 0 1 381.314 3.081 20 0 GGADMN COc1cc(CN(CC(N)=O)CC(C)C)cc(Br)c1OC(F)F ZINC000092010921 564874008 /nfs/dbraw/zinc/87/40/08/564874008.db2.gz UHOQEKHHFDKPLW-UHFFFAOYSA-N 0 1 395.244 3.002 20 0 GGADMN CCOC(=O)CCN(CC(=O)Nc1ccccc1Br)CC1CC1 ZINC000144475119 564877822 /nfs/dbraw/zinc/87/78/22/564877822.db2.gz YELUJNFRWOQKND-UHFFFAOYSA-N 0 1 383.286 3.053 20 0 GGADMN CC(=O)N(C)C1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000092538711 564877979 /nfs/dbraw/zinc/87/79/79/564877979.db2.gz NBECDNKHAAJNOE-UHFFFAOYSA-N 0 1 379.298 3.168 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000092505487 564878112 /nfs/dbraw/zinc/87/81/12/564878112.db2.gz PXCGPZIHXVGSCR-UHFFFAOYSA-N 0 1 377.476 3.497 20 0 GGADMN CN(C1CCN(Cc2ccc(-c3ccccc3F)s2)CC1)S(C)(=O)=O ZINC000092529545 564878829 /nfs/dbraw/zinc/87/88/29/564878829.db2.gz PNHCEDPNZKTWLW-UHFFFAOYSA-N 0 1 382.526 3.410 20 0 GGADMN CC(=O)NC1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000092669236 564879451 /nfs/dbraw/zinc/87/94/51/564879451.db2.gz BGOPVICLZUFSLU-UHFFFAOYSA-N 0 1 391.313 3.044 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1Cl ZINC000146159922 564880892 /nfs/dbraw/zinc/88/08/92/564880892.db2.gz ZJIWQMHGNCPZMF-UHFFFAOYSA-N 0 1 375.233 3.458 20 0 GGADMN COc1sc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1Br ZINC000093017263 564884129 /nfs/dbraw/zinc/88/41/29/564884129.db2.gz YVTBYTBONFYXSN-ZDUSSCGKSA-N 0 1 389.359 3.063 20 0 GGADMN O=C1CCCN1[C@@H]1CCCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093278574 564885501 /nfs/dbraw/zinc/88/55/01/564885501.db2.gz TZRNFZRGHSLOSA-QGZVFWFLSA-N 0 1 391.309 3.312 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(C)CC[C@@H](C)O ZINC000093481550 564887712 /nfs/dbraw/zinc/88/77/12/564887712.db2.gz SDRYAPYZLQZQOC-SECBINFHSA-N 0 1 381.108 3.423 20 0 GGADMN CC(C)OCCN1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093586730 564887828 /nfs/dbraw/zinc/88/78/28/564887828.db2.gz KVAMEOLIIZISDV-UHFFFAOYSA-N 0 1 395.341 3.268 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1ccsc1 ZINC000150169935 564887922 /nfs/dbraw/zinc/88/79/22/564887922.db2.gz MPYHKGIDDVKVEU-NSHDSACASA-N 0 1 383.315 3.144 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2ccccc2Br)C[C@@H](C)O1 ZINC000093546990 564888058 /nfs/dbraw/zinc/88/80/58/564888058.db2.gz JZNSRCNPIWPNNW-ZACQAIPSSA-N 0 1 397.357 3.402 20 0 GGADMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093813492 564890193 /nfs/dbraw/zinc/89/01/93/564890193.db2.gz 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ZINC000106800910 564989029 /nfs/dbraw/zinc/98/90/29/564989029.db2.gz IBVKWMBDDQMNDS-INIZCTEOSA-N 0 1 384.351 3.164 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)Sc3ccccc3Cl)C2)CC1 ZINC000106807299 564989174 /nfs/dbraw/zinc/98/91/74/564989174.db2.gz UZUJEWFFDRWUTE-HZPDHXFCSA-N 0 1 381.973 3.059 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)/C=C/c3cc(Cl)ccc3Cl)C2)CC1 ZINC000106801596 564989198 /nfs/dbraw/zinc/98/91/98/564989198.db2.gz OXXGSOVNIYEXIU-ZNNBYXKUSA-N 0 1 382.335 3.245 20 0 GGADMN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCSC1 ZINC000153266434 564990242 /nfs/dbraw/zinc/99/02/42/564990242.db2.gz WRWOFJJVRJUDRU-HNNXBMFYSA-N 0 1 375.563 3.440 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)CCc1ccc(Br)cc1 ZINC000106861688 564990266 /nfs/dbraw/zinc/99/02/66/564990266.db2.gz NCZUJZIXUJCYCI-AWEZNQCLSA-N 0 1 393.329 3.301 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106914117 564991982 /nfs/dbraw/zinc/99/19/82/564991982.db2.gz IXCRYVYFAVCGTL-UHFFFAOYSA-N 0 1 388.269 3.029 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)cc3C)C2)CC1 ZINC000106938828 564992289 /nfs/dbraw/zinc/99/22/89/564992289.db2.gz VXKRPLZZJXOFCZ-MRXNPFEDSA-N 0 1 395.345 3.001 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(C)c(Br)c3)C2)CC1 ZINC000106939928 564992637 /nfs/dbraw/zinc/99/26/37/564992637.db2.gz MCWJPFGPPCGMSU-MRXNPFEDSA-N 0 1 395.345 3.001 20 0 GGADMN O=C(NC1CCCCC1)c1c[nH]c2ccc(I)cc2c1=O ZINC000153409388 564993559 /nfs/dbraw/zinc/99/35/59/564993559.db2.gz GAFOKTSVOGQMSZ-UHFFFAOYSA-N 0 1 396.228 3.195 20 0 GGADMN COc1cc(F)c(NS(=O)(=O)c2sccc2Br)cc1OC ZINC000107067530 564994221 /nfs/dbraw/zinc/99/42/21/564994221.db2.gz GDKVARPHNJMJTI-UHFFFAOYSA-N 0 1 396.259 3.468 20 0 GGADMN Cc1cc(CC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[nH]n1 ZINC000153433932 564994806 /nfs/dbraw/zinc/99/48/06/564994806.db2.gz YUGKBUINHIUBBQ-UHFFFAOYSA-N 0 1 381.307 3.348 20 0 GGADMN C[C@H]1CCCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000153469063 564996356 /nfs/dbraw/zinc/99/63/56/564996356.db2.gz HIVYYYLECWTFMU-JTQLQIEISA-N 0 1 396.228 3.005 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153478459 564997171 /nfs/dbraw/zinc/99/71/71/564997171.db2.gz NPXVZXCHPHNIFC-MRVPVSSYSA-N 0 1 378.219 3.022 20 0 GGADMN Cc1c(C(=O)Nc2ccc3[nH]nnc3c2)cnn1-c1cccc(Br)c1 ZINC000153540752 564999392 /nfs/dbraw/zinc/99/93/92/564999392.db2.gz RSDNEUMNONJOJY-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN COCc1cccc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1 ZINC000153593299 565002091 /nfs/dbraw/zinc/00/20/91/565002091.db2.gz FLXDUEBTMLIOQC-UHFFFAOYSA-N 0 1 399.310 3.462 20 0 GGADMN COc1cccc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1 ZINC000153589748 565002455 /nfs/dbraw/zinc/00/24/55/565002455.db2.gz DGYHPXISSWBPDO-UHFFFAOYSA-N 0 1 385.283 3.325 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1OC ZINC000153611859 565002825 /nfs/dbraw/zinc/00/28/25/565002825.db2.gz VCYVKMBFAQAUCX-RYUDHWBXSA-N 0 1 385.302 3.069 20 0 GGADMN COc1ccsc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000153615009 565003183 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CCOc1c(Br)cc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1OC ZINC000153846043 565014250 /nfs/dbraw/zinc/01/42/50/565014250.db2.gz OPYLOEWPRLXHRP-HNNXBMFYSA-N 0 1 399.329 3.269 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C[C@H](C)N1 ZINC000153876502 565014931 /nfs/dbraw/zinc/01/49/31/565014931.db2.gz NAUYTLPVYWZVBL-TXEJJXNPSA-N 0 1 377.897 3.476 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C[C@H](C)N1 ZINC000153907385 565016922 /nfs/dbraw/zinc/01/69/22/565016922.db2.gz DYELBVQLKXYLLJ-BETUJISGSA-N 0 1 390.281 3.459 20 0 GGADMN COc1ccc(CCC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1Br ZINC000153932595 565017957 /nfs/dbraw/zinc/01/79/57/565017957.db2.gz VDQPZWARBQYURK-MRXNPFEDSA-N 0 1 383.330 3.189 20 0 GGADMN Cc1c(I)cccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153942777 565018865 /nfs/dbraw/zinc/01/88/65/565018865.db2.gz DNXHVYVCCJBYAB-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)C[C@@H](C)N1 ZINC000153955869 565019425 /nfs/dbraw/zinc/01/94/25/565019425.db2.gz 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Cc1c(I)cccc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000154216095 565030098 /nfs/dbraw/zinc/03/00/98/565030098.db2.gz WPLXJFGKNWYQQC-UHFFFAOYSA-N 0 1 394.172 3.230 20 0 GGADMN COCCCN(CCCSc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000109763431 565031151 /nfs/dbraw/zinc/03/11/51/565031151.db2.gz YLUZMCUIYYCVHD-HNNXBMFYSA-N 0 1 391.986 3.348 20 0 GGADMN O=C(c1[nH]nc2ccc(I)cc21)N1C[C@@H]2CCC[C@@H]2C1 ZINC000154235135 565031245 /nfs/dbraw/zinc/03/12/45/565031245.db2.gz LEBGKJSZEKEQMT-AOOOYVTPSA-N 0 1 381.217 3.040 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(n2ccnc2)CC1 ZINC000109795834 565031939 /nfs/dbraw/zinc/03/19/39/565031939.db2.gz SBEBTTBGKOHXAH-UHFFFAOYSA-N 0 1 381.307 3.485 20 0 GGADMN Cc1sc(C(=O)Nc2[nH]nc3c2cccc3Cl)cc1CS(C)(=O)=O ZINC000154305198 565033224 /nfs/dbraw/zinc/03/32/24/565033224.db2.gz PAHACKLZKLJHRP-UHFFFAOYSA-N 0 1 383.882 3.383 20 0 GGADMN C[S@@](=O)c1cccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000110080633 565035249 /nfs/dbraw/zinc/03/52/49/565035249.db2.gz BOLSYXZSSMSHET-LMKMVOKYSA-N 0 1 377.535 3.444 20 0 GGADMN CCOC(=O)CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C(C)C ZINC000110436292 565040541 /nfs/dbraw/zinc/04/05/41/565040541.db2.gz SYIVWRNWEYYAAA-UHFFFAOYSA-N 0 1 394.269 3.253 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000110844943 565045723 /nfs/dbraw/zinc/04/57/23/565045723.db2.gz WALVAELCLGEJEK-UHFFFAOYSA-N 0 1 388.269 3.029 20 0 GGADMN Brc1cccc(-c2noc(CN3CCC[C@H](C4OCCO4)C3)n2)c1 ZINC000110848395 565045816 /nfs/dbraw/zinc/04/58/16/565045816.db2.gz IRRDOESOIMEPFC-ZDUSSCGKSA-N 0 1 394.269 3.084 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000154623022 565046499 /nfs/dbraw/zinc/04/64/99/565046499.db2.gz GYPRSHQGMVDAMZ-YPMHNXCESA-N 0 1 378.270 3.215 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)n(C)n1 ZINC000154731628 565050967 /nfs/dbraw/zinc/05/09/67/565050967.db2.gz ZBIFLONKSWYYBE-JKSUJKDBSA-N 0 1 379.291 3.418 20 0 GGADMN Cc1nc2c(s1)[C@H](N(C)Cc1cccc(S(=O)(=O)N(C)C)c1)CCC2 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GGADMN C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000154878813 565055698 /nfs/dbraw/zinc/05/56/98/565055698.db2.gz ABTRXOBJZOOWGE-ZDUSSCGKSA-N 0 1 377.282 3.405 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000111657988 565055879 /nfs/dbraw/zinc/05/58/79/565055879.db2.gz TXNOYRLEQBDZKY-NSHDSACASA-N 0 1 378.885 3.281 20 0 GGADMN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000154895926 565056016 /nfs/dbraw/zinc/05/60/16/565056016.db2.gz IORMSIFCLYDOCI-CHWSQXEVSA-N 0 1 376.444 3.026 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111767901 565057566 /nfs/dbraw/zinc/05/75/66/565057566.db2.gz PIDUAIOPMLZBHJ-NSHDSACASA-N 0 1 378.826 3.116 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111767904 565057754 /nfs/dbraw/zinc/05/77/54/565057754.db2.gz PIDUAIOPMLZBHJ-LLVKDONJSA-N 0 1 378.826 3.116 20 0 GGADMN CN(CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1CCSC1 ZINC000155077285 565061002 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COc1ccc(CN[C@H]2CCN(c3ccccc3F)C2=O)cc1Br ZINC000112367076 565063153 /nfs/dbraw/zinc/06/31/53/565063153.db2.gz SBRACMOFKMFOPT-HNNXBMFYSA-N 0 1 393.256 3.492 20 0 GGADMN CNC(=O)CCCN(C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000155250545 565065181 /nfs/dbraw/zinc/06/51/81/565065181.db2.gz IKIFJLUBDOHKKE-INIZCTEOSA-N 0 1 386.323 3.115 20 0 GGADMN CNC(=O)CCCN(C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000155250429 565065211 /nfs/dbraw/zinc/06/52/11/565065211.db2.gz IKIFJLUBDOHKKE-MRXNPFEDSA-N 0 1 386.323 3.115 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000155270574 565065454 /nfs/dbraw/zinc/06/54/54/565065454.db2.gz VFGFXQCMTLHAFJ-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000112703275 565065574 /nfs/dbraw/zinc/06/55/74/565065574.db2.gz YHJJTAXEJYVBSU-LBPRGKRZSA-N 0 1 382.423 3.175 20 0 GGADMN C[C@@H](c1cccc(F)c1)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000112703357 565065606 /nfs/dbraw/zinc/06/56/06/565065606.db2.gz DQZJAVCIWFJOLN-LBPRGKRZSA-N 0 1 382.423 3.175 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000155382404 565066939 /nfs/dbraw/zinc/06/69/39/565066939.db2.gz FTZSOUGCHOOAFH-DOTOQJQBSA-N 0 1 381.973 3.028 20 0 GGADMN O=C(CCCc1cc(Cl)sc1Cl)Nc1nc(SCCO)n[nH]1 ZINC000155407525 565067148 /nfs/dbraw/zinc/06/71/48/565067148.db2.gz WIVUPMWVFKFHOV-UHFFFAOYSA-N 0 1 381.310 3.219 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1cc(Br)sc1C)c1ccco1 ZINC000155404150 565067181 /nfs/dbraw/zinc/06/71/81/565067181.db2.gz PPDXZTCZFYIQTR-SECBINFHSA-N 0 1 380.285 3.078 20 0 GGADMN CCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H](C)CS(=O)(=O)CC ZINC000112958128 565067243 /nfs/dbraw/zinc/06/72/43/565067243.db2.gz MQCTWCIEERFZGO-GFCCVEGCSA-N 0 1 383.901 3.015 20 0 GGADMN CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@@H](C)CS(=O)(=O)CC ZINC000112957799 565067345 /nfs/dbraw/zinc/06/73/45/565067345.db2.gz GKGWCVZRVIMIKK-LBPRGKRZSA-N 0 1 383.901 3.015 20 0 GGADMN CN(CCc1ccc(Cl)cc1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000113265725 565068700 /nfs/dbraw/zinc/06/87/00/565068700.db2.gz MHJZKIRHMVKXCD-UHFFFAOYSA-N 0 1 382.913 3.392 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CSC3=N[C@@H](C)CS3)CC2)cc1 ZINC000155546842 565068989 /nfs/dbraw/zinc/06/89/89/565068989.db2.gz IUNHSZWEGWYQKX-INIZCTEOSA-N 0 1 377.579 3.254 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1sccc1Br ZINC000113301224 565069392 /nfs/dbraw/zinc/06/93/92/565069392.db2.gz NBNKKAJNSBJWKZ-NSHDSACASA-N 0 1 381.361 3.053 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)NCc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000113350529 565069434 /nfs/dbraw/zinc/06/94/34/565069434.db2.gz REIWRXNXYYWQDD-CYBMUJFWSA-N 0 1 383.945 3.114 20 0 GGADMN CC(C)[C@H](N[C@@H](C)Cn1cc(Br)cn1)c1nnc2ccccn21 ZINC000155588680 565069451 /nfs/dbraw/zinc/06/94/51/565069451.db2.gz GDWWFVKNFMXBLL-WFASDCNBSA-N 0 1 377.290 3.064 20 0 GGADMN O=C(NCCNCc1cc(F)c(F)c(F)c1)c1cccc(Br)c1 ZINC000113354587 565069632 /nfs/dbraw/zinc/06/96/32/565069632.db2.gz PRZNHOTUPGHNIZ-UHFFFAOYSA-N 0 1 387.199 3.386 20 0 GGADMN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC(c2nc[nH]n2)CC1 ZINC000155599194 565069772 /nfs/dbraw/zinc/06/97/72/565069772.db2.gz UXNGWFHQJXHFJN-UHFFFAOYSA-N 0 1 376.869 3.180 20 0 GGADMN CN(CCOCC1CC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000155665495 565070478 /nfs/dbraw/zinc/07/04/78/565070478.db2.gz IXCOSIWPJICCTD-UHFFFAOYSA-N 0 1 378.270 3.338 20 0 GGADMN Cc1[nH]c(S(=O)(=O)CCCOCC(F)(F)F)nc1Cc1ccccc1 ZINC000113636513 565070514 /nfs/dbraw/zinc/07/05/14/565070514.db2.gz OJDRKHNXJVFIPM-UHFFFAOYSA-N 0 1 376.400 3.052 20 0 GGADMN CCN(CC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000155704217 565070833 /nfs/dbraw/zinc/07/08/33/565070833.db2.gz YOLLULSMJPIUJZ-UHFFFAOYSA-N 0 1 379.810 3.123 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000155716778 565070961 /nfs/dbraw/zinc/07/09/61/565070961.db2.gz IMQQLCQQKHDWHV-MSOLQXFVSA-N 0 1 383.579 3.145 20 0 GGADMN CCOC[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000113938014 565071487 /nfs/dbraw/zinc/07/14/87/565071487.db2.gz IUJPPXRZINBTHR-HNNXBMFYSA-N 0 1 383.330 3.156 20 0 GGADMN CCOC[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000113938262 565071548 /nfs/dbraw/zinc/07/15/48/565071548.db2.gz TYZPXJUNKMAXLJ-CYBMUJFWSA-N 0 1 389.359 3.218 20 0 GGADMN COC(=O)[C@@H](C)CN(C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000114062654 565072151 /nfs/dbraw/zinc/07/21/51/565072151.db2.gz XIIOLCCDZWTVJX-BLLLJJGKSA-N 0 1 387.307 3.398 20 0 GGADMN Cc1noc(COc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000114313510 565073618 /nfs/dbraw/zinc/07/36/18/565073618.db2.gz FUQHRXAJPQTUNV-UHFFFAOYSA-N 0 1 379.825 3.411 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)c2cccc(F)c2)cc1Br ZINC000156049787 565074335 /nfs/dbraw/zinc/07/43/35/565074335.db2.gz DIWXUMCAQWQTHO-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN O=C(CN(CCCO)[C@H]1CCc2ccccc21)NCc1ccc(Cl)s1 ZINC000114469223 565074668 /nfs/dbraw/zinc/07/46/68/565074668.db2.gz IQHBGTKNLQZXIY-KRWDZBQOSA-N 0 1 378.925 3.390 20 0 GGADMN Brc1ccc(-c2noc(CN3CCN(CC4CC4)CC3)n2)s1 ZINC000114455442 565074750 /nfs/dbraw/zinc/07/47/50/565074750.db2.gz IREZTALAMNQNCA-UHFFFAOYSA-N 0 1 383.315 3.088 20 0 GGADMN CCc1c(NC(=O)Cc2ccn(C)n2)[nH]nc1-c1ccc(Br)cc1 ZINC000183542267 565078836 /nfs/dbraw/zinc/07/88/36/565078836.db2.gz OJPOTLTXARVUCT-UHFFFAOYSA-N 0 1 388.269 3.316 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccc(Br)c1 ZINC000291853739 565081688 /nfs/dbraw/zinc/08/16/88/565081688.db2.gz GTEHKJGNCRCTFZ-HZPDHXFCSA-N 0 1 395.341 3.123 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000156371647 565082710 /nfs/dbraw/zinc/08/27/10/565082710.db2.gz DPYVPOWOLDDHNN-CQSZACIVSA-N 0 1 392.297 3.404 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NOC/C=C/Cl ZINC000291865300 565082684 /nfs/dbraw/zinc/08/26/84/565082684.db2.gz PDBFLMGIXSVMSV-UXBLZVDNSA-N 0 1 381.885 3.046 20 0 GGADMN CC(C)c1nc(CS(=O)(=O)Cc2ccc(Br)cc2Cl)n[nH]1 ZINC000291874652 565082909 /nfs/dbraw/zinc/08/29/09/565082909.db2.gz HTBYVBQEWQZDSW-UHFFFAOYSA-N 0 1 392.706 3.459 20 0 GGADMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(F)c(Br)c2)cn1 ZINC000369254599 565083384 /nfs/dbraw/zinc/08/33/84/565083384.db2.gz UPKWEKARDDJLRR-RHSMWYFYSA-N 0 1 382.277 3.410 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)n[nH]1 ZINC000291883084 565083441 /nfs/dbraw/zinc/08/34/41/565083441.db2.gz LJDDWYGHAWEDOC-CYBMUJFWSA-N 0 1 397.248 3.220 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cncc(Br)c2)n[nH]1 ZINC000291885896 565083468 /nfs/dbraw/zinc/08/34/68/565083468.db2.gz LNUJCZXQOIRXSX-CYBMUJFWSA-N 0 1 378.274 3.453 20 0 GGADMN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(F)c(Br)c2)cn1 ZINC000369254603 565083518 /nfs/dbraw/zinc/08/35/18/565083518.db2.gz UPKWEKARDDJLRR-YOEHRIQHSA-N 0 1 382.277 3.410 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2C)cnc1Cl ZINC000266555485 565084321 /nfs/dbraw/zinc/08/43/21/565084321.db2.gz ITAIYFIBQITDIW-UHFFFAOYSA-N 0 1 381.841 3.109 20 0 GGADMN Brc1ccc([C@H](NCCCN2CCOCC2)c2ccco2)cc1 ZINC000183662602 565086487 /nfs/dbraw/zinc/08/64/87/565086487.db2.gz PSKJBXUIYZOFPC-SFHVURJKSA-N 0 1 379.298 3.443 20 0 GGADMN Cc1nc(C[S@@](=O)Cc2csc(COc3ccc(Cl)cc3)n2)n[nH]1 ZINC000291955671 565088294 /nfs/dbraw/zinc/08/82/94/565088294.db2.gz QYSTUGWCZHEJHK-DEOSSOPVSA-N 0 1 382.898 3.251 20 0 GGADMN Cc1csc(C2(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CCCC2)n1 ZINC000183721267 565091168 /nfs/dbraw/zinc/09/11/68/565091168.db2.gz LIVKHULQTFZBQW-NSHDSACASA-N 0 1 377.432 3.040 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(SCc3ccccc3)s2)[nH]1 ZINC000266773044 565091773 /nfs/dbraw/zinc/09/17/73/565091773.db2.gz SYTIVZTWKGGIST-UHFFFAOYSA-N 0 1 392.535 3.378 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)o1 ZINC000266839370 565092224 /nfs/dbraw/zinc/09/22/24/565092224.db2.gz MFEMJZCDZKQZEL-UHFFFAOYSA-N 0 1 393.285 3.058 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(Cl)ccc2N2CCSCC2)[nH]1 ZINC000266838847 565092382 /nfs/dbraw/zinc/09/23/82/565092382.db2.gz NYNSFKITRTUYKG-UHFFFAOYSA-N 0 1 397.957 3.441 20 0 GGADMN Cc1cc(CNC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1Br ZINC000266815502 565092781 /nfs/dbraw/zinc/09/27/81/565092781.db2.gz XEROVRRJDQREAF-CQSZACIVSA-N 0 1 392.219 3.031 20 0 GGADMN CC(C)C[C@H](NCc1cncc(Br)c1)C(=O)Nc1nccs1 ZINC000183760600 565094430 /nfs/dbraw/zinc/09/44/30/565094430.db2.gz YKPJACHODIFZAM-ZDUSSCGKSA-N 0 1 383.315 3.444 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000266917481 565094831 /nfs/dbraw/zinc/09/48/31/565094831.db2.gz KLXCYVDJRWJKPL-GDBMZVCRSA-N 0 1 384.351 3.335 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000266917483 565095286 /nfs/dbraw/zinc/09/52/86/565095286.db2.gz KLXCYVDJRWJKPL-GOEBONIOSA-N 0 1 384.351 3.335 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cccc(Br)c2F)n[nH]1 ZINC000292069641 565096093 /nfs/dbraw/zinc/09/60/93/565096093.db2.gz SRALVUYPMYPLAT-GFCCVEGCSA-N 0 1 397.248 3.220 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000292067334 565096210 /nfs/dbraw/zinc/09/62/10/565096210.db2.gz CMARGYZXFBDNEM-SJCJKPOMSA-N 0 1 393.281 3.108 20 0 GGADMN Clc1ccc(OCCN2CCC(n3cncn3)CC2)c(Br)c1 ZINC000156604669 565096340 /nfs/dbraw/zinc/09/63/40/565096340.db2.gz KRTVJHNHVZFCQU-UHFFFAOYSA-N 0 1 385.693 3.410 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)cc1OC ZINC000266946882 565096310 /nfs/dbraw/zinc/09/63/10/565096310.db2.gz CZXDIHMEVSKCOI-LLVKDONJSA-N 0 1 397.547 3.300 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000266937835 565096847 /nfs/dbraw/zinc/09/68/47/565096847.db2.gz AFTZXYRAMNSGQJ-UHFFFAOYSA-N 0 1 396.563 3.476 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)cc1OC ZINC000266946884 565097168 /nfs/dbraw/zinc/09/71/68/565097168.db2.gz CZXDIHMEVSKCOI-NSHDSACASA-N 0 1 397.547 3.300 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(Br)cn2C)n[nH]1 ZINC000292092503 565097654 /nfs/dbraw/zinc/09/76/54/565097654.db2.gz UYXLZJKAQPPSSS-LBPRGKRZSA-N 0 1 380.290 3.397 20 0 GGADMN Cc1ccccc1NC(=O)[C@@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000292090611 565097730 /nfs/dbraw/zinc/09/77/30/565097730.db2.gz FJKZRPGTMFTYJT-DYVFJYSZSA-N 0 1 377.282 3.408 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000266963402 565097958 /nfs/dbraw/zinc/09/79/58/565097958.db2.gz IUBYOTLTFVFADG-SNVBAGLBSA-N 0 1 396.563 3.220 20 0 GGADMN O=C(Nc1cccc(I)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000156630375 565098130 /nfs/dbraw/zinc/09/81/30/565098130.db2.gz LYXDVSGFLHHJQI-UHFFFAOYSA-N 0 1 390.184 3.329 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCC2(c3ccccc3Br)CCC2)n[nH]1 ZINC000292108796 565098801 /nfs/dbraw/zinc/09/88/01/565098801.db2.gz PFRMOXKDKYHKRJ-NSHDSACASA-N 0 1 392.301 3.358 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1cccc(CN2CCCCC2=O)c1 ZINC000266980355 565099480 /nfs/dbraw/zinc/09/94/80/565099480.db2.gz PSKWKOAUKBENIA-UHFFFAOYSA-N 0 1 394.547 3.070 20 0 GGADMN CC(C)OC(=O)C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000266986228 565099607 /nfs/dbraw/zinc/09/96/07/565099607.db2.gz SIFUSKGWCMJIMC-LBPRGKRZSA-N 0 1 397.547 3.118 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000266993240 565100104 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1 387.237 3.004 20 0 GGADMN CC(C)(C)NC(=O)c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000267061667 565104332 /nfs/dbraw/zinc/10/43/32/565104332.db2.gz XJRVKMNCADQWGZ-UHFFFAOYSA-N 0 1 382.536 3.086 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cc1F ZINC000183985416 565107850 /nfs/dbraw/zinc/10/78/50/565107850.db2.gz NFZRNEGWXHSLJF-QGZVFWFLSA-N 0 1 382.526 3.452 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)C(C)C ZINC000267173413 565107959 /nfs/dbraw/zinc/10/79/59/565107959.db2.gz USYXYJWDDDMZFB-UHFFFAOYSA-N 0 1 396.563 3.315 20 0 GGADMN C[S@@](=O)Cc1cc(NC(=O)CSc2n[nH]c(=S)s2)ccc1Cl ZINC000267208900 565109545 /nfs/dbraw/zinc/10/95/45/565109545.db2.gz YRBVUEPQHIXTDC-JOCHJYFZSA-N 0 1 393.968 3.090 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000156864072 565109613 /nfs/dbraw/zinc/10/96/13/565109613.db2.gz PZYTWLRMZUJJCQ-UHFFFAOYSA-N 0 1 378.255 3.262 20 0 GGADMN CN(Cc1cc(Br)cn1C)C[C@@H](O)COc1ccccc1Cl ZINC000156896772 565110157 /nfs/dbraw/zinc/11/01/57/565110157.db2.gz 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CC(C)c1nc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Br)c2)n[nH]1 ZINC000292561732 565122161 /nfs/dbraw/zinc/12/21/61/565122161.db2.gz FGMOBRGHDSMCOB-GFCCVEGCSA-N 0 1 394.273 3.159 20 0 GGADMN CN1CC[C@@H](CNC(=O)NOC/C=C/Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000292561404 565122470 /nfs/dbraw/zinc/12/24/70/565122470.db2.gz RCXYWNOQCUBIFW-DWBSWXNISA-N 0 1 376.259 3.455 20 0 GGADMN Cc1ccc(CO)cc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000157207447 565122783 /nfs/dbraw/zinc/12/27/83/565122783.db2.gz QDJAQXQTURYAJZ-UHFFFAOYSA-N 0 1 399.310 3.117 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccsc1 ZINC000184254668 565123525 /nfs/dbraw/zinc/12/35/25/565123525.db2.gz LBUPBHKXDXEBAR-LBPRGKRZSA-N 0 1 397.371 3.099 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000184254008 565123878 /nfs/dbraw/zinc/12/38/78/565123878.db2.gz CYMUBGLOZQRSHN-LBPRGKRZSA-N 0 1 380.274 3.248 20 0 GGADMN CC(=O)N1CC[C@](C)(C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000370078150 565127104 /nfs/dbraw/zinc/12/71/04/565127104.db2.gz 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ZINC000267799016 565131135 /nfs/dbraw/zinc/13/11/35/565131135.db2.gz JDFSQWPPWNADSM-UHFFFAOYSA-N 0 1 376.356 3.097 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)c[nH]1 ZINC000267849811 565132919 /nfs/dbraw/zinc/13/29/19/565132919.db2.gz FFNCIADNPACZNA-UHFFFAOYSA-N 0 1 376.356 3.097 20 0 GGADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1cnc([C@@H]2CCCO2)s1 ZINC000292793154 565134716 /nfs/dbraw/zinc/13/47/16/565134716.db2.gz MRJSGKOEBAOZDA-RTXFEEFZSA-N 0 1 377.432 3.026 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)c1 ZINC000370272944 565136782 /nfs/dbraw/zinc/13/67/82/565136782.db2.gz OBBLLDSYWQWSIA-UHFFFAOYSA-N 0 1 380.853 3.012 20 0 GGADMN COCCCOc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157685577 565140721 /nfs/dbraw/zinc/14/07/21/565140721.db2.gz WZJCUNZEFYILDP-UHFFFAOYSA-N 0 1 375.368 3.320 20 0 GGADMN Cn1cc(Br)c(CNC2(Cc3cccc(F)c3)CCOCC2)n1 ZINC000292912538 565141058 /nfs/dbraw/zinc/14/10/58/565141058.db2.gz FNMHRLYMWXQNML-UHFFFAOYSA-N 0 1 382.277 3.203 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000184534912 565141389 /nfs/dbraw/zinc/14/13/89/565141389.db2.gz BHYDVJCKAHMGOH-UHFFFAOYSA-N 0 1 382.302 3.326 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000157717526 565142469 /nfs/dbraw/zinc/14/24/69/565142469.db2.gz BUHDKGVYNPPYFQ-UHFFFAOYSA-N 0 1 379.917 3.363 20 0 GGADMN OCc1cn([C@@H]2CCCN([C@H]3CCCc4ccc(Br)cc43)C2)nn1 ZINC000292965057 565143432 /nfs/dbraw/zinc/14/34/32/565143432.db2.gz LTLGEPVJXHEFOQ-AEFFLSMTSA-N 0 1 391.313 3.247 20 0 GGADMN CC(C)(C)c1nnc(CNS(=O)(=O)c2ccc(Cl)nc2Cl)s1 ZINC000268162741 565143819 /nfs/dbraw/zinc/14/38/19/565143819.db2.gz HOFIEIYGSQKWAU-UHFFFAOYSA-N 0 1 381.310 3.016 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(F)c1Br ZINC000292997867 565146031 /nfs/dbraw/zinc/14/60/31/565146031.db2.gz KQXJRIKONFVXSR-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN C[C@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1 ZINC000157867129 565146569 /nfs/dbraw/zinc/14/65/69/565146569.db2.gz SLHUDULFQOQPCP-KFWWJZLASA-N 0 1 383.330 3.168 20 0 GGADMN Cc1cc(Br)ccc1CNC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000268297337 565146655 /nfs/dbraw/zinc/14/66/55/565146655.db2.gz XAEALQLAPHZKGD-CQSZACIVSA-N 0 1 392.219 3.031 20 0 GGADMN Cc1nn(C)c(CNC[C@H](C)c2nc(-c3ccccc3)no2)c1Br ZINC000370498641 565147141 /nfs/dbraw/zinc/14/71/41/565147141.db2.gz HZGQXKHXRPWSNA-NSHDSACASA-N 0 1 390.285 3.434 20 0 GGADMN CC(=O)NC[C@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000268357044 565148387 /nfs/dbraw/zinc/14/83/87/565148387.db2.gz WABHDNCMIIWJJS-CQSZACIVSA-N 0 1 376.298 3.345 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000268357038 565148763 /nfs/dbraw/zinc/14/87/63/565148763.db2.gz WABHDNCMIIWJJS-AWEZNQCLSA-N 0 1 376.298 3.345 20 0 GGADMN O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000157935324 565149371 /nfs/dbraw/zinc/14/93/71/565149371.db2.gz LSMNLHNQMWYLJD-UHFFFAOYSA-N 0 1 376.806 3.296 20 0 GGADMN CC(=O)NCC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000268376384 565149983 /nfs/dbraw/zinc/14/99/83/565149983.db2.gz ZVNGRVUYHHDZEX-UHFFFAOYSA-N 0 1 376.298 3.345 20 0 GGADMN COc1ccc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)c(Br)c1OC ZINC000268474580 565153857 /nfs/dbraw/zinc/15/38/57/565153857.db2.gz MVWWOILMYUVBIY-CYBMUJFWSA-N 0 1 395.301 3.272 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCc2cccc(Br)n2)cc1 ZINC000293176263 565154673 /nfs/dbraw/zinc/15/46/73/565154673.db2.gz NQYYCSOVOQPRJK-GFCCVEGCSA-N 0 1 379.254 3.247 20 0 GGADMN COc1cc(Br)c(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000268527952 565157208 /nfs/dbraw/zinc/15/72/08/565157208.db2.gz YAFNATKUORBNOE-LBPRGKRZSA-N 0 1 395.301 3.272 20 0 GGADMN COC[C@](C)(CC(=O)OC)NCc1cccc(Br)c1OC(F)F ZINC000158127214 565157783 /nfs/dbraw/zinc/15/77/83/565157783.db2.gz KBAPHCDPBVAMPE-HNNXBMFYSA-N 0 1 396.228 3.108 20 0 GGADMN CS(=O)(=O)c1ccc(-c2noc(-c3ccc(Br)cc3O)n2)cc1 ZINC000184858116 565161104 /nfs/dbraw/zinc/16/11/04/565161104.db2.gz WDWAWHWOKKBPHY-UHFFFAOYSA-N 0 1 395.234 3.275 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cnn(-c2ccccc2Br)c1 ZINC000158279747 565164113 /nfs/dbraw/zinc/16/41/13/565164113.db2.gz RDIOMEHAGQHIFI-UHFFFAOYSA-N 0 1 389.257 3.104 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000268726540 565165462 /nfs/dbraw/zinc/16/54/62/565165462.db2.gz PMPWFCQYVJYMTJ-AWEZNQCLSA-N 0 1 396.329 3.198 20 0 GGADMN Cn1cc(Br)c(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 ZINC000293402609 565166875 /nfs/dbraw/zinc/16/68/75/565166875.db2.gz RJYGFEBUCZOTQJ-VKJFTORMSA-N 0 1 376.298 3.187 20 0 GGADMN CSCc1cnc(CNCCCCN2C(=O)c3ccccc3C2=O)s1 ZINC000293429797 565167763 /nfs/dbraw/zinc/16/77/63/565167763.db2.gz BCMLTXJVELKEEZ-UHFFFAOYSA-N 0 1 375.519 3.172 20 0 GGADMN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1cnn[nH]1 ZINC000158404241 565169218 /nfs/dbraw/zinc/16/92/18/565169218.db2.gz GVRSZWDHTFFLIQ-HNNXBMFYSA-N 0 1 375.201 3.226 20 0 GGADMN C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccccc1Br ZINC000158453676 565170151 /nfs/dbraw/zinc/17/01/51/565170151.db2.gz AJGPIFRQWILMON-OAHLLOKOSA-N 0 1 389.341 3.447 20 0 GGADMN Cc1c([C@@H](C)NCCSCCCO)nnn1-c1cccc(Br)c1 ZINC000268893955 565170128 /nfs/dbraw/zinc/17/01/28/565170128.db2.gz PNDUUVPPEJBWFI-GFCCVEGCSA-N 0 1 399.358 3.104 20 0 GGADMN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N[C@H]1CCCc2cn[nH]c21 ZINC000268884355 565170449 /nfs/dbraw/zinc/17/04/49/565170449.db2.gz FTUHUXAXFRSBAG-KGLIPLIRSA-N 0 1 391.269 3.373 20 0 GGADMN CC[C@@H](N[C@@H](C)Cn1cc(Br)cn1)c1nnc2n1CCCCC2 ZINC000268890600 565170940 /nfs/dbraw/zinc/17/09/40/565170940.db2.gz YMWZKWLYRWPLTO-GXTWGEPZSA-N 0 1 381.322 3.093 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268915158 565172189 /nfs/dbraw/zinc/17/21/89/565172189.db2.gz BNSMRXBIUFCGRD-RNCFNFMXSA-N 0 1 382.233 3.272 20 0 GGADMN CCn1ncnc1CNC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293513708 565172435 /nfs/dbraw/zinc/17/24/35/565172435.db2.gz IEBYBYKKVCZJAT-UHFFFAOYSA-N 0 1 397.292 3.081 20 0 GGADMN COc1ccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1Br ZINC000268954736 565172854 /nfs/dbraw/zinc/17/28/54/565172854.db2.gz YLTDNWVEBCODAD-ZDUSSCGKSA-N 0 1 379.258 3.058 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccsc1 ZINC000268954698 565172929 /nfs/dbraw/zinc/17/29/29/565172929.db2.gz UFLOKUAMVYOLQV-VIFPVBQESA-N 0 1 379.433 3.129 20 0 GGADMN COc1ccc(CCC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000268952907 565173190 /nfs/dbraw/zinc/17/31/90/565173190.db2.gz IMTAHJSGDRBJAY-CQSZACIVSA-N 0 1 378.270 3.307 20 0 GGADMN Cc1cccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1I ZINC000268982224 565174447 /nfs/dbraw/zinc/17/44/47/565174447.db2.gz NMJZNACELJYWSH-LBPRGKRZSA-N 0 1 381.217 3.130 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)s1 ZINC000293632536 565177903 /nfs/dbraw/zinc/17/79/03/565177903.db2.gz KGLXIKYOSAYOJO-ZDUSSCGKSA-N 0 1 380.535 3.094 20 0 GGADMN COc1ccc([C@H](CNCc2ncc(CSC)s2)N(C)C)cc1OC ZINC000293677942 565179860 /nfs/dbraw/zinc/17/98/60/565179860.db2.gz AFGDEAHDEABAIQ-HNNXBMFYSA-N 0 1 381.567 3.416 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000269174436 565180142 /nfs/dbraw/zinc/18/01/42/565180142.db2.gz YZKIUTYZJJWYMW-NEPJUHHUSA-N 0 1 385.580 3.449 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000269174442 565180321 /nfs/dbraw/zinc/18/03/21/565180321.db2.gz YZKIUTYZJJWYMW-VXGBXAGGSA-N 0 1 385.580 3.449 20 0 GGADMN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000158786529 565181967 /nfs/dbraw/zinc/18/19/67/565181967.db2.gz KCZOSXDIIDWFGW-UHFFFAOYSA-N 0 1 387.230 3.347 20 0 GGADMN COc1ccc(CCNCc2ncc(C3OCCO3)s2)c(Cl)c1OC ZINC000293752375 565182634 /nfs/dbraw/zinc/18/26/34/565182634.db2.gz WXCDNHFXDKRDFY-UHFFFAOYSA-N 0 1 384.885 3.191 20 0 GGADMN OCC1(NCc2csc(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000269256560 565183715 /nfs/dbraw/zinc/18/37/15/565183715.db2.gz BZTKZDXRFGJZPX-UHFFFAOYSA-N 0 1 383.311 3.204 20 0 GGADMN CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000293793104 565185172 /nfs/dbraw/zinc/18/51/72/565185172.db2.gz XMRIGYOMRPJLIV-GFCCVEGCSA-N 0 1 381.881 3.096 20 0 GGADMN COc1cccc(CN2CCC(n3cc(Br)cn3)CC2)c1OC ZINC000371338145 565187165 /nfs/dbraw/zinc/18/71/65/565187165.db2.gz YWMXNMBCTLXEHA-UHFFFAOYSA-N 0 1 380.286 3.500 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1Cl ZINC000185206162 565187267 /nfs/dbraw/zinc/18/72/67/565187267.db2.gz MANGCRYZYLKSQI-UHFFFAOYSA-N 0 1 381.816 3.121 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185205153 565187355 /nfs/dbraw/zinc/18/73/55/565187355.db2.gz ICAIPGGTOAOMLA-SJKOYZFVSA-N 0 1 391.313 3.256 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2N)N2CCCC2)o1 ZINC000185257635 565190795 /nfs/dbraw/zinc/19/07/95/565190795.db2.gz KZGKAPGNNRJYIW-MRXNPFEDSA-N 0 1 392.297 3.500 20 0 GGADMN C[C@H]1[C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCS1(=O)=O ZINC000293914528 565191020 /nfs/dbraw/zinc/19/10/20/565191020.db2.gz MAIHHCBJHBFEKF-UFBFGSQYSA-N 0 1 375.334 3.389 20 0 GGADMN O=C(Nc1ccccc1-c1nnc[nH]1)[C@H]1COc2ccc(Br)cc21 ZINC000371402159 565191078 /nfs/dbraw/zinc/19/10/78/565191078.db2.gz VEFXSXVRNXGSTF-ZDUSSCGKSA-N 0 1 385.221 3.349 20 0 GGADMN Cc1cc(Br)cc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1OC(F)F ZINC000293955805 565192128 /nfs/dbraw/zinc/19/21/28/565192128.db2.gz PKLFHCLXNDTVBL-CABZTGNLSA-N 0 1 398.269 3.024 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c(Cl)n1 ZINC000293990260 565193276 /nfs/dbraw/zinc/19/32/76/565193276.db2.gz WJBSROGMNMERJB-GHMZBOCLSA-N 0 1 377.794 3.023 20 0 GGADMN CC(=O)N(c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)C1CC1 ZINC000294018512 565195592 /nfs/dbraw/zinc/19/55/92/565195592.db2.gz DXSHDEDTMSWDEW-UHFFFAOYSA-N 0 1 380.520 3.073 20 0 GGADMN CSc1cccc(C)c1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000185338274 565195990 /nfs/dbraw/zinc/19/59/90/565195990.db2.gz YEAFTBFAOSQAPL-UHFFFAOYSA-N 0 1 379.507 3.082 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000371489247 565196105 /nfs/dbraw/zinc/19/61/05/565196105.db2.gz NXYVJYFAUMPUKX-UHFFFAOYSA-N 0 1 389.296 3.088 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Br)nc2)CC1 ZINC000269640620 565196193 /nfs/dbraw/zinc/19/61/93/565196193.db2.gz WBPKVFNAENJVIM-ZDUSSCGKSA-N 0 1 389.297 3.195 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000269630957 565196342 /nfs/dbraw/zinc/19/63/42/565196342.db2.gz LGLICIRUJVRPCV-HNNXBMFYSA-N 0 1 383.516 3.216 20 0 GGADMN O[C@H](CN1CCN(CCc2cccs2)CC1)c1ccccc1Br ZINC000269692947 565197669 /nfs/dbraw/zinc/19/76/69/565197669.db2.gz JUQFWYHUZRWPLU-GOSISDBHSA-N 0 1 395.366 3.404 20 0 GGADMN CS(=O)(=O)CC1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000294143211 565200037 /nfs/dbraw/zinc/20/00/37/565200037.db2.gz LCHUDABNDDSPSO-UHFFFAOYSA-N 0 1 381.881 3.096 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000159296328 565200909 /nfs/dbraw/zinc/20/09/09/565200909.db2.gz GPKXFOUSADCMMA-MRXNPFEDSA-N 0 1 379.287 3.142 20 0 GGADMN COc1cc(Br)c(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1OC ZINC000294207223 565203490 /nfs/dbraw/zinc/20/34/90/565203490.db2.gz LVTLXZASOVFEMD-PHIMTYICSA-N 0 1 386.290 3.023 20 0 GGADMN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNCCCS(C)(=O)=O ZINC000269951836 565203634 /nfs/dbraw/zinc/20/36/34/565203634.db2.gz HGBFKPPKYYZZJS-UHFFFAOYSA-N 0 1 383.945 3.233 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000185479137 565204288 /nfs/dbraw/zinc/20/42/88/565204288.db2.gz WOWFANPKNNNXJG-CQSZACIVSA-N 0 1 376.844 3.453 20 0 GGADMN Cc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1Br ZINC000185493711 565204990 /nfs/dbraw/zinc/20/49/90/565204990.db2.gz HAZWARDRRBMPTQ-UHFFFAOYSA-N 0 1 396.329 3.334 20 0 GGADMN Cc1cccc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1Br ZINC000185494325 565205507 /nfs/dbraw/zinc/20/55/07/565205507.db2.gz AOJARDDCJVGKGY-CQSZACIVSA-N 0 1 384.318 3.236 20 0 GGADMN COCc1ccccc1NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000185562880 565207455 /nfs/dbraw/zinc/20/74/55/565207455.db2.gz QSWJPHYXEPSLJW-UHFFFAOYSA-N 0 1 386.267 3.405 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000270128958 565209388 /nfs/dbraw/zinc/20/93/88/565209388.db2.gz OEEHTGLHMYPYNC-ADHMFCJJSA-N 0 1 379.551 3.149 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)[nH]1 ZINC000294362348 565209768 /nfs/dbraw/zinc/20/97/68/565209768.db2.gz OATBOBYTKLAGLB-LURJTMIESA-N 0 1 379.795 3.150 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000294362348 565209770 /nfs/dbraw/zinc/20/97/70/565209770.db2.gz OATBOBYTKLAGLB-LURJTMIESA-N 0 1 379.795 3.150 20 0 GGADMN C[C@@H]1OCC[C@]1(O)CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294384107 565211068 /nfs/dbraw/zinc/21/10/68/565211068.db2.gz RNPJWUGHCKXBOA-GOPGUHFVSA-N 0 1 384.245 3.400 20 0 GGADMN C[S@@](=O)C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000159596640 565211521 /nfs/dbraw/zinc/21/15/21/565211521.db2.gz GNGOZOCZGVMLGE-CMJOXMDJSA-N 0 1 396.306 3.387 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc2ccc(Br)cc2s1 ZINC000294433801 565211723 /nfs/dbraw/zinc/21/17/23/565211723.db2.gz ANXHJIRKMWVYGW-LBPRGKRZSA-N 0 1 396.354 3.030 20 0 GGADMN O=S(=O)(Nc1ncccn1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000185643784 565213928 /nfs/dbraw/zinc/21/39/28/565213928.db2.gz WFBYSXYCDIOCGS-UHFFFAOYSA-N 0 1 382.161 3.059 20 0 GGADMN Brc1ccccc1C1(CN[C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000294540319 565216332 /nfs/dbraw/zinc/21/63/32/565216332.db2.gz AIGUAMCNGBKVOY-INIZCTEOSA-N 0 1 384.281 3.373 20 0 GGADMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000185713248 565217818 /nfs/dbraw/zinc/21/78/18/565217818.db2.gz RPJHWZYNGURUDU-UHFFFAOYSA-N 0 1 376.663 3.310 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000294591047 565218902 /nfs/dbraw/zinc/21/89/02/565218902.db2.gz LJYQYSQRSVCEIW-ZDUSSCGKSA-N 0 1 390.742 3.499 20 0 GGADMN CCc1c(NC(=O)[C@H](C)NC(=O)OC)[nH]nc1-c1ccc(Br)cc1 ZINC000270504458 565220414 /nfs/dbraw/zinc/22/04/14/565220414.db2.gz DXVLPPXFJHLZMX-VIFPVBQESA-N 0 1 395.257 3.085 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)c2ccc(N)cc2)c2cccs2)CC1 ZINC000185788094 565221093 /nfs/dbraw/zinc/22/10/93/565221093.db2.gz ZQPUGZIENOMYEY-QGZVFWFLSA-N 0 1 379.551 3.082 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCc1cccc(F)c1 ZINC000294651479 565221346 /nfs/dbraw/zinc/22/13/46/565221346.db2.gz BXASFGDNMLBKDN-LBPRGKRZSA-N 0 1 395.272 3.391 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)c2ccc(N)cc2)c2cccs2)CC1 ZINC000185788072 565221525 /nfs/dbraw/zinc/22/15/25/565221525.db2.gz ZQPUGZIENOMYEY-KRWDZBQOSA-N 0 1 379.551 3.082 20 0 GGADMN Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000270549302 565222105 /nfs/dbraw/zinc/22/21/05/565222105.db2.gz AOULVQAIBQEUIW-UHFFFAOYSA-N 0 1 388.649 3.176 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1Br ZINC000270575284 565222916 /nfs/dbraw/zinc/22/29/16/565222916.db2.gz OKWRVJSSEWZLOB-JTQLQIEISA-N 0 1 387.303 3.039 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n[nH]1 ZINC000270613096 565223626 /nfs/dbraw/zinc/22/36/26/565223626.db2.gz FQGDEZYFADQCHV-VIFPVBQESA-N 0 1 381.267 3.303 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCCc2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000270605428 565223894 /nfs/dbraw/zinc/22/38/94/565223894.db2.gz DBHKHRUYEOABET-SECBINFHSA-N 0 1 378.889 3.233 20 0 GGADMN CCC(=O)N1CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000270633205 565224530 /nfs/dbraw/zinc/22/45/30/565224530.db2.gz HEZZWYFVNYBBSI-MRVPVSSYSA-N 0 1 375.650 3.005 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)c1Br ZINC000294751664 565225533 /nfs/dbraw/zinc/22/55/33/565225533.db2.gz QDFAWIWSIGUHCE-UHFFFAOYSA-N 0 1 396.289 3.261 20 0 GGADMN CCc1c(NC(=O)[C@H](O)CCSC)[nH]nc1-c1ccc(Br)cc1 ZINC000294729089 565225795 /nfs/dbraw/zinc/22/57/95/565225795.db2.gz VPYCPTQTSOAWLK-CYBMUJFWSA-N 0 1 398.326 3.454 20 0 GGADMN COCCOC1(CNCc2c(F)ccc(Br)c2F)CCOCC1 ZINC000294734585 565226001 /nfs/dbraw/zinc/22/60/01/565226001.db2.gz GNZOJIIMDKIDHK-UHFFFAOYSA-N 0 1 394.256 3.029 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270704477 565225997 /nfs/dbraw/zinc/22/59/97/565225997.db2.gz UAKLSZPMPGNKRS-SECBINFHSA-N 0 1 381.889 3.119 20 0 GGADMN CCC[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000185867889 565226268 /nfs/dbraw/zinc/22/62/68/565226268.db2.gz DZPRTMKEFJQVJO-CQSZACIVSA-N 0 1 396.329 3.158 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000270742755 565226995 /nfs/dbraw/zinc/22/69/95/565226995.db2.gz NJCCASURSBELKR-UWVGGRQHSA-N 0 1 396.289 3.260 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Cc2c[nH]c3cc(Br)ccc23)n[nH]1 ZINC000270740016 565227167 /nfs/dbraw/zinc/22/71/67/565227167.db2.gz LCJMTOYMIRCVKY-SECBINFHSA-N 0 1 376.258 3.031 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)n[nH]1 ZINC000270759095 565227284 /nfs/dbraw/zinc/22/72/84/565227284.db2.gz OGAZUJLKLCNBIQ-QWRGUYRKSA-N 0 1 381.274 3.335 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000270742760 565227540 /nfs/dbraw/zinc/22/75/40/565227540.db2.gz NJCCASURSBELKR-ZJUUUORDSA-N 0 1 396.289 3.260 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000270742757 565227547 /nfs/dbraw/zinc/22/75/47/565227547.db2.gz NJCCASURSBELKR-VHSXEESVSA-N 0 1 396.289 3.260 20 0 GGADMN COc1cc(Br)c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000294788142 565228006 /nfs/dbraw/zinc/22/80/06/565228006.db2.gz BDJRJZPOPVVBBG-SECBINFHSA-N 0 1 397.273 3.199 20 0 GGADMN COc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1Br ZINC000185914937 565228419 /nfs/dbraw/zinc/22/84/19/565228419.db2.gz KOFYFTDBJJRODG-HNNXBMFYSA-N 0 1 397.700 3.297 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)NCC(F)(F)F ZINC000185925766 565228508 /nfs/dbraw/zinc/22/85/08/565228508.db2.gz ZWXQTPPXGNUSFF-GFCCVEGCSA-N 0 1 381.236 3.381 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)NCC(F)(F)F ZINC000185925742 565228746 /nfs/dbraw/zinc/22/87/46/565228746.db2.gz ZWXQTPPXGNUSFF-LBPRGKRZSA-N 0 1 381.236 3.381 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)NCc1cccnc1 ZINC000185927568 565229680 /nfs/dbraw/zinc/22/96/80/565229680.db2.gz SPLOPJRZVXETKV-QGZVFWFLSA-N 0 1 390.325 3.413 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)Nc1nncs1 ZINC000185931337 565230127 /nfs/dbraw/zinc/23/01/27/565230127.db2.gz WCCWZEHFGHLEBT-LBPRGKRZSA-N 0 1 383.315 3.192 20 0 GGADMN Cc1cc(Br)oc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270853249 565230244 /nfs/dbraw/zinc/23/02/44/565230244.db2.gz KENPQJPFWOYBDQ-NSHDSACASA-N 0 1 379.258 3.366 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c(C)c1F ZINC000185954751 565230957 /nfs/dbraw/zinc/23/09/57/565230957.db2.gz NZXQXOISSXBDST-UHFFFAOYSA-N 0 1 381.351 3.004 20 0 GGADMN C[C@@H](CCn1cccn1)NCc1c(Br)cncc1Br ZINC000294818226 565230918 /nfs/dbraw/zinc/23/09/18/565230918.db2.gz OOXOPIVIQBOXML-JTQLQIEISA-N 0 1 388.107 3.372 20 0 GGADMN O=S(=O)(Cc1ccccc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270891513 565231696 /nfs/dbraw/zinc/23/16/96/565231696.db2.gz YDMYAMTVGROSSX-CYBMUJFWSA-N 0 1 380.901 3.045 20 0 GGADMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@@H]1CCNC(=O)CC1 ZINC000294849698 565232045 /nfs/dbraw/zinc/23/20/45/565232045.db2.gz BAWQNGNGWWFSRY-GLJUWKHASA-N 0 1 381.314 3.127 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCc1ccccc1 ZINC000294866478 565233270 /nfs/dbraw/zinc/23/32/70/565233270.db2.gz WEMWEQUUJFBSLC-ZDUSSCGKSA-N 0 1 377.282 3.252 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)[nH]1 ZINC000185979126 565233830 /nfs/dbraw/zinc/23/38/30/565233830.db2.gz WIUNJVKIXNZWNQ-CYBMUJFWSA-N 0 1 399.289 3.471 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)n1 ZINC000185979126 565233837 /nfs/dbraw/zinc/23/38/37/565233837.db2.gz WIUNJVKIXNZWNQ-CYBMUJFWSA-N 0 1 399.289 3.471 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)Cn3cc(Br)cn3)c2C1 ZINC000270963104 565233983 /nfs/dbraw/zinc/23/39/83/565233983.db2.gz AYYYLOTZCRUZRU-UHFFFAOYSA-N 0 1 377.286 3.256 20 0 GGADMN O=C1CC[C@H](CSc2nc(-c3ccccc3Br)n[nH]2)CCN1 ZINC000294885464 565234831 /nfs/dbraw/zinc/23/48/31/565234831.db2.gz CIMCTTRNDLFVIQ-JTQLQIEISA-N 0 1 381.299 3.243 20 0 GGADMN Cc1c(NS(=O)(=O)c2cncc(Cl)c2)cccc1C(=O)N1CCCC1 ZINC000271052557 565237058 /nfs/dbraw/zinc/23/70/58/565237058.db2.gz QOLGGISSIZOIIP-UHFFFAOYSA-N 0 1 379.869 3.080 20 0 GGADMN COc1cc(C)c(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cc1F ZINC000186045897 565237460 /nfs/dbraw/zinc/23/74/60/565237460.db2.gz SOMLONGHTWHIDU-UHFFFAOYSA-N 0 1 386.832 3.420 20 0 GGADMN CC(C)c1nc(CNc2cc(Br)cnc2Br)n[nH]1 ZINC000295006675 565239394 /nfs/dbraw/zinc/23/93/94/565239394.db2.gz SCXUSBYKMLDCDV-UHFFFAOYSA-N 0 1 375.068 3.460 20 0 GGADMN Cc1cnccc1CNCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000295002668 565239446 /nfs/dbraw/zinc/23/94/46/565239446.db2.gz IIAINSFEPHCMCT-UHFFFAOYSA-N 0 1 397.338 3.495 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc(C)c1F ZINC000186104869 565240561 /nfs/dbraw/zinc/24/05/61/565240561.db2.gz GNVQWKAUORHUEL-UHFFFAOYSA-N 0 1 391.873 3.300 20 0 GGADMN CN(Cc1ccc(CSC(F)F)o1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295027368 565240684 /nfs/dbraw/zinc/24/06/84/565240684.db2.gz CVHQBUXFOAQQGQ-NSHDSACASA-N 0 1 380.457 3.053 20 0 GGADMN Cn1nccc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000271187060 565241017 /nfs/dbraw/zinc/24/10/17/565241017.db2.gz QQNWWOZCOCBYND-UHFFFAOYSA-N 0 1 377.286 3.033 20 0 GGADMN Cc1n[nH]c(CCNC(=O)CCSc2ccnc3cc(Cl)ccc32)n1 ZINC000271218623 565242752 /nfs/dbraw/zinc/24/27/52/565242752.db2.gz CIGBMPIMMFZGLF-UHFFFAOYSA-N 0 1 375.885 3.156 20 0 GGADMN COc1cc(CN[C@H](CO)c2ccc(Br)cc2)cc(OC)c1OC ZINC000271200874 565243046 /nfs/dbraw/zinc/24/30/46/565243046.db2.gz FNONRDLTGMLRNA-OAHLLOKOSA-N 0 1 396.281 3.298 20 0 GGADMN O=S1(=O)CCC(CN(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000271209267 565243133 /nfs/dbraw/zinc/24/31/33/565243133.db2.gz HFOKFVFJYWXUBI-UHFFFAOYSA-N 0 1 380.337 3.003 20 0 GGADMN Cn1cc([C@H]2CN(Cc3cnc(Br)s3)CC23CCOCC3)cn1 ZINC000295061646 565243256 /nfs/dbraw/zinc/24/32/56/565243256.db2.gz CEYIMHXHPLDMPM-CQSZACIVSA-N 0 1 397.342 3.035 20 0 GGADMN COc1ccsc1[C@H](C)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000186153739 565243209 /nfs/dbraw/zinc/24/32/09/565243209.db2.gz QFIVRKQMSDQXBG-AWEZNQCLSA-N 0 1 382.551 3.435 20 0 GGADMN Cc1ccc(NC(=O)CNC2(C(=O)N(C)C)CCCCC2)c(Br)c1 ZINC000295119969 565245475 /nfs/dbraw/zinc/24/54/75/565245475.db2.gz JRITWIYZMBIKOA-UHFFFAOYSA-N 0 1 396.329 3.077 20 0 GGADMN Cc1nc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c(Cl)cc1Cl ZINC000295154333 565247842 /nfs/dbraw/zinc/24/78/42/565247842.db2.gz FRUWVHJFIIZEPT-UHFFFAOYSA-N 0 1 389.186 3.250 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(Br)ccc1Br ZINC000160506864 565248294 /nfs/dbraw/zinc/24/82/94/565248294.db2.gz YDCHOHCXFSCAJT-SNVBAGLBSA-N 0 1 388.103 3.178 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cncc(Cl)c3C)cc2)CC1 ZINC000295166930 565249489 /nfs/dbraw/zinc/24/94/89/565249489.db2.gz FQBVYUNXJSDKPJ-UHFFFAOYSA-N 0 1 380.853 3.049 20 0 GGADMN CC[C@@H](CCc1ccc(Br)cc1)N[C@H](C(N)=O)c1ccccn1 ZINC000295197728 565250529 /nfs/dbraw/zinc/25/05/29/565250529.db2.gz YDNISPWJZKBRHK-RDJZCZTQSA-N 0 1 376.298 3.372 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cncc(Cl)c3C)cc2C[C@H]1C ZINC000295190500 565250799 /nfs/dbraw/zinc/25/07/99/565250799.db2.gz KVOKYCJQFUBESF-SNVBAGLBSA-N 0 1 379.869 3.142 20 0 GGADMN O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)cc1Br ZINC000372781901 565253809 /nfs/dbraw/zinc/25/38/09/565253809.db2.gz FKYQLOAQSBGZTI-RYUDHWBXSA-N 0 1 388.693 3.087 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000271507461 565255672 /nfs/dbraw/zinc/25/56/72/565255672.db2.gz IKEXUBOYJMIMCB-VXGBXAGGSA-N 0 1 379.400 3.493 20 0 GGADMN CCc1nc(CNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n[nH]1 ZINC000295260822 565255850 /nfs/dbraw/zinc/25/58/50/565255850.db2.gz GCRXDTRUNILHEA-JTQLQIEISA-N 0 1 375.885 3.366 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)CSc2nnc(C)[nH]2)cc1Cl ZINC000271504104 565256014 /nfs/dbraw/zinc/25/60/14/565256014.db2.gz LGSOCVMZHHISPB-UHFFFAOYSA-N 0 1 391.280 3.176 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)CSc2nc(C)n[nH]2)cc1Cl ZINC000271504104 565256019 /nfs/dbraw/zinc/25/60/19/565256019.db2.gz LGSOCVMZHHISPB-UHFFFAOYSA-N 0 1 391.280 3.176 20 0 GGADMN C[C@@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1nccs1 ZINC000271554600 565259406 /nfs/dbraw/zinc/25/94/06/565259406.db2.gz SMVRFPGIKXXZAD-CYBMUJFWSA-N 0 1 383.514 3.176 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000271601767 565260089 /nfs/dbraw/zinc/26/00/89/565260089.db2.gz ZOLISTHFNKUCRV-SJCJKPOMSA-N 0 1 398.322 3.237 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ncc(Br)cc1C)c1ccccc1 ZINC000295349289 565260903 /nfs/dbraw/zinc/26/09/03/565260903.db2.gz QNYLKUPYFUWYIC-AWEZNQCLSA-N 0 1 385.283 3.282 20 0 GGADMN CCOc1cc(Br)c(NC(=O)N(C)Cc2nnc[nH]2)cc1OCC ZINC000186434111 565260911 /nfs/dbraw/zinc/26/09/11/565260911.db2.gz OUJPCCFPTPXIIU-UHFFFAOYSA-N 0 1 398.261 3.029 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(Cl)cc(F)c2Br)n[nH]1 ZINC000295363392 565262183 /nfs/dbraw/zinc/26/21/83/565262183.db2.gz GWMSHQVDQFDYNP-UHFFFAOYSA-N 0 1 375.629 3.413 20 0 GGADMN Brc1cc2c(c(CN3CCSC4(CCOCC4)C3)c1)OCC2 ZINC000186484559 565262786 /nfs/dbraw/zinc/26/27/86/565262786.db2.gz RWALFLMKTXPDHK-UHFFFAOYSA-N 0 1 384.339 3.482 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000271647837 565262808 /nfs/dbraw/zinc/26/28/08/565262808.db2.gz FMIPDLRLILPXIV-QMTHXVAHSA-N 0 1 382.295 3.155 20 0 GGADMN Cc1cc(Br)c(F)cc1NC(=O)c1cnc2c(cnn2C)c1O ZINC000186510018 565264028 /nfs/dbraw/zinc/26/40/28/565264028.db2.gz QEDQDILEBGZNMV-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN Cc1cc(Br)c(F)cc1NC(=O)c1cnc2n(C)[nH]cc-2c1=O ZINC000186510018 565264037 /nfs/dbraw/zinc/26/40/37/565264037.db2.gz QEDQDILEBGZNMV-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN Cc1cc(Br)c(F)cc1NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000186510614 565264236 /nfs/dbraw/zinc/26/42/36/565264236.db2.gz GLXVJGIOENVRBK-MRXNPFEDSA-N 0 1 385.277 3.479 20 0 GGADMN Cc1nc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(Cl)cc1Cl ZINC000186507866 565264448 /nfs/dbraw/zinc/26/44/48/565264448.db2.gz YGPXPRUCGNHYDP-UHFFFAOYSA-N 0 1 389.186 3.256 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(Cl)c(F)cc2Br)n[nH]1 ZINC000295429584 565265476 /nfs/dbraw/zinc/26/54/76/565265476.db2.gz FPZCOODBJJWJSN-LURJTMIESA-N 0 1 375.629 3.413 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](CCO)c1ccco1 ZINC000186520620 565265555 /nfs/dbraw/zinc/26/55/55/565265555.db2.gz XOOWPZMBNZLTEJ-DOMZBBRYSA-N 0 1 381.270 3.473 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3cc(Cl)c(N)c(Cl)c3)C2=O)n(C)n1 ZINC000271714119 565265710 /nfs/dbraw/zinc/26/57/10/565265710.db2.gz NBARHODOGRVKKR-YGRLFVJLSA-N 0 1 382.295 3.074 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc(C(F)(F)F)ccc1Br ZINC000295425015 565265727 /nfs/dbraw/zinc/26/57/27/565265727.db2.gz MHOWZXRJLHNDTE-UHFFFAOYSA-N 0 1 389.175 3.393 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3cc(Cl)c(N)c(Cl)c3)C2=O)n(C)n1 ZINC000271714116 565266084 /nfs/dbraw/zinc/26/60/84/565266084.db2.gz NBARHODOGRVKKR-HZMBPMFUSA-N 0 1 382.295 3.074 20 0 GGADMN CCc1nc(CNC(=O)c2ccc(Br)cc2C(F)(F)F)n[nH]1 ZINC000295435955 565266265 /nfs/dbraw/zinc/26/62/65/565266265.db2.gz VHFVKXABRWPZQX-UHFFFAOYSA-N 0 1 377.164 3.078 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000271765175 565267577 /nfs/dbraw/zinc/26/75/77/565267577.db2.gz DHGKEVDTSUOXSP-DZWULXIXSA-N 0 1 378.925 3.433 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000271803516 565268571 /nfs/dbraw/zinc/26/85/71/565268571.db2.gz LRAJMIJCWACZQC-KXTXEXGHSA-N 0 1 376.547 3.110 20 0 GGADMN OC[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000271815722 565268936 /nfs/dbraw/zinc/26/89/36/565268936.db2.gz LVUPNXHZJATUJT-HNNXBMFYSA-N 0 1 382.229 3.183 20 0 GGADMN C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000271844295 565269499 /nfs/dbraw/zinc/26/94/99/565269499.db2.gz LGUAIFASFWZRFR-SNVBAGLBSA-N 0 1 376.375 3.343 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)NCc1ccccc1Cl ZINC000271849077 565270188 /nfs/dbraw/zinc/27/01/88/565270188.db2.gz VSNQXLVUDHMIMS-DZWULXIXSA-N 0 1 378.925 3.433 20 0 GGADMN Cn1ccnc1[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100561 565270212 /nfs/dbraw/zinc/27/02/12/565270212.db2.gz SKQNLUUHTOOEEQ-CZUORRHYSA-N 0 1 382.277 3.235 20 0 GGADMN FC(F)(F)COc1ccc(CNCc2cncc(Br)c2)cn1 ZINC000186589092 565271398 /nfs/dbraw/zinc/27/13/98/565271398.db2.gz DPACYCDCMOZHPR-UHFFFAOYSA-N 0 1 376.176 3.470 20 0 GGADMN CC(Cl)(Cl)C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000271935535 565272182 /nfs/dbraw/zinc/27/21/82/565272182.db2.gz JZDNBIBSTBCBAC-UHFFFAOYSA-N 0 1 375.565 3.212 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cnc(Cl)cc3C)cc2)CC1 ZINC000271945002 565273109 /nfs/dbraw/zinc/27/31/09/565273109.db2.gz ZJPDFDSEICDBAO-UHFFFAOYSA-N 0 1 380.853 3.049 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000186632961 565273171 /nfs/dbraw/zinc/27/31/71/565273171.db2.gz OTRQESGRTUOQQD-UHFFFAOYSA-N 0 1 377.243 3.144 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)s1 ZINC000272000581 565274548 /nfs/dbraw/zinc/27/45/48/565274548.db2.gz AHXFHRBZZHEWPO-PELKAZGASA-N 0 1 398.248 3.345 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000186647007 565274739 /nfs/dbraw/zinc/27/47/39/565274739.db2.gz YMBDLIJMMZVTBU-OAHLLOKOSA-N 0 1 387.307 3.324 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000186667620 565275560 /nfs/dbraw/zinc/27/55/60/565275560.db2.gz MOUHFYIIIYKKKB-JTQLQIEISA-N 0 1 377.243 3.144 20 0 GGADMN Cc1cc(Br)c(CNC[C@@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000295595154 565275787 /nfs/dbraw/zinc/27/57/87/565275787.db2.gz CJXOPXFUVZQDBC-NSHDSACASA-N 0 1 380.735 3.325 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000272063643 565276202 /nfs/dbraw/zinc/27/62/02/565276202.db2.gz CWFJZAPHSVLVDA-PWSUYJOCSA-N 0 1 387.939 3.219 20 0 GGADMN CC1(C)C[C@@H](O)CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000295609081 565276943 /nfs/dbraw/zinc/27/69/43/565276943.db2.gz XZYJIHLXGNRTIF-LBPRGKRZSA-N 0 1 380.286 3.482 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000186675811 565277560 /nfs/dbraw/zinc/27/75/60/565277560.db2.gz XNPMKJLXGHGSLN-UHFFFAOYSA-N 0 1 375.694 3.083 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000186691139 565278149 /nfs/dbraw/zinc/27/81/49/565278149.db2.gz VFOVRBBRNGEREA-UHFFFAOYSA-N 0 1 375.296 3.243 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000295647135 565278362 /nfs/dbraw/zinc/27/83/62/565278362.db2.gz GCMZUMHAMBXBAE-JTQLQIEISA-N 0 1 383.315 3.488 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC000186684169 565278627 /nfs/dbraw/zinc/27/86/27/565278627.db2.gz FKWIDDWPEOORBP-UHFFFAOYSA-N 0 1 389.721 3.473 20 0 GGADMN CSc1ccc([C@@H](C)NC[C@@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000272148278 565279836 /nfs/dbraw/zinc/27/98/36/565279836.db2.gz UMPWRGHVFJEQOP-MEBBXXQBSA-N 0 1 377.407 3.382 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1nc(-c2ccccc2F)cs1 ZINC000373330917 565280255 /nfs/dbraw/zinc/28/02/55/565280255.db2.gz HPNBPEMZPZSXNU-UHFFFAOYSA-N 0 1 398.535 3.498 20 0 GGADMN Cc1ccc(Br)c(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000186734647 565281837 /nfs/dbraw/zinc/28/18/37/565281837.db2.gz SAGRCZKEBLTYIG-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN CCN1CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000272232925 565282051 /nfs/dbraw/zinc/28/20/51/565282051.db2.gz IGTPYMQOAJDUFF-UHFFFAOYSA-N 0 1 396.260 3.411 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N[C@@H]1CCCc2cn[nH]c21 ZINC000373391747 565282265 /nfs/dbraw/zinc/28/22/65/565282265.db2.gz IJTOPSGJVGKNFO-GMTAPVOTSA-N 0 1 381.299 3.466 20 0 GGADMN COc1cccc([C@H](NC[C@H]2CCS(=O)(=O)C2)c2ccccc2Cl)c1 ZINC000272263910 565282625 /nfs/dbraw/zinc/28/26/25/565282625.db2.gz KMLYZRXNSNQJOC-KUHUBIRLSA-N 0 1 379.909 3.462 20 0 GGADMN COc1cccc([C@@H](NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2Cl)c1 ZINC000272263906 565282665 /nfs/dbraw/zinc/28/26/65/565282665.db2.gz KMLYZRXNSNQJOC-IFXJQAMLSA-N 0 1 379.909 3.462 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N[C@H]1CCCc2cn[nH]c21 ZINC000373391752 565282990 /nfs/dbraw/zinc/28/29/90/565282990.db2.gz IJTOPSGJVGKNFO-OUAUKWLOSA-N 0 1 381.299 3.466 20 0 GGADMN Cc1cc(C2CCN(C(=O)COc3cccc(Br)c3)CC2)n[nH]1 ZINC000272269090 565283190 /nfs/dbraw/zinc/28/31/90/565283190.db2.gz RRANJZITJUEUTQ-UHFFFAOYSA-N 0 1 378.270 3.266 20 0 GGADMN CC(C)c1nc(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)n[nH]1 ZINC000295737442 565283588 /nfs/dbraw/zinc/28/35/88/565283588.db2.gz MZYIZRJNVWYJAE-UHFFFAOYSA-N 0 1 376.258 3.031 20 0 GGADMN COc1ccc([C@@H](NC[C@H]2CCS(=O)(=O)C2)c2ccccc2Cl)cc1 ZINC000272341080 565284877 /nfs/dbraw/zinc/28/48/77/565284877.db2.gz YTWFUAJGRXYZGD-AUUYWEPGSA-N 0 1 379.909 3.462 20 0 GGADMN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1sccc1Br ZINC000186777968 565285318 /nfs/dbraw/zinc/28/53/18/565285318.db2.gz HEBPJMCVKNAOLK-NSHDSACASA-N 0 1 381.361 3.053 20 0 GGADMN CCC1(CC)CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[S@@]1=O ZINC000186794926 565286568 /nfs/dbraw/zinc/28/65/68/565286568.db2.gz NRPPMHUECNHJLU-QHCPKHFHSA-N 0 1 398.326 3.089 20 0 GGADMN CCC1(CC)CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[S@]1=O ZINC000186794941 565286582 /nfs/dbraw/zinc/28/65/82/565286582.db2.gz NRPPMHUECNHJLU-HSZRJFAPSA-N 0 1 398.326 3.089 20 0 GGADMN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CC[C@@H](N2CCCC2)C1 ZINC000373481409 565287470 /nfs/dbraw/zinc/28/74/70/565287470.db2.gz DTPPJGUNPZYCBE-CYBMUJFWSA-N 0 1 376.551 3.268 20 0 GGADMN CC(C)c1nc(CNC(=O)CCSc2ccc(Br)cc2)n[nH]1 ZINC000295792323 565287446 /nfs/dbraw/zinc/28/74/46/565287446.db2.gz RMKQYOJRNGMJBD-UHFFFAOYSA-N 0 1 383.315 3.489 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CN1CC([C@H]2CCOC2)C1 ZINC000373471963 565288113 /nfs/dbraw/zinc/28/81/13/565288113.db2.gz XDSKVDOAIQREJO-AWEZNQCLSA-N 0 1 376.298 3.412 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCSC2(CCOCC2)C1 ZINC000186839438 565288826 /nfs/dbraw/zinc/28/88/26/565288826.db2.gz NNXJHIGAOWJAGL-UHFFFAOYSA-N 0 1 377.897 3.468 20 0 GGADMN Cc1sc(CNC(=O)N[C@@H](C)c2nnc[nH]2)nc1-c1ccc(Cl)cc1 ZINC000272487443 565289371 /nfs/dbraw/zinc/28/93/71/565289371.db2.gz SNMGUJDGPCROIT-VIFPVBQESA-N 0 1 376.873 3.450 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)c1 ZINC000272536126 565290028 /nfs/dbraw/zinc/29/00/28/565290028.db2.gz ZQYDFGQLLBVJKD-UHFFFAOYSA-N 0 1 396.213 3.228 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272522652 565290788 /nfs/dbraw/zinc/29/07/88/565290788.db2.gz PZUHCVAMZUGAKA-CPUCHLNUSA-N 0 1 393.325 3.211 20 0 GGADMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCSC2(CCOCC2)C1 ZINC000186861325 565291358 /nfs/dbraw/zinc/29/13/58/565291358.db2.gz AGJYACIYCLAWSE-UHFFFAOYSA-N 0 1 377.897 3.468 20 0 GGADMN Cn1cc(CCCN2CCN(Cc3ccc(Br)c(F)c3)CC2)cn1 ZINC000161692857 565291941 /nfs/dbraw/zinc/29/19/41/565291941.db2.gz IFXKARXCKWGLIM-UHFFFAOYSA-N 0 1 395.320 3.072 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000161756824 565293273 /nfs/dbraw/zinc/29/32/73/565293273.db2.gz XKOXCMUHKWYQSB-AWEZNQCLSA-N 0 1 382.507 3.304 20 0 GGADMN CN(CC(=O)NCCc1cc(Cl)ccc1Br)[C@H]1CCSC1 ZINC000161739174 565293418 /nfs/dbraw/zinc/29/34/18/565293418.db2.gz YARQONBFUMGNHJ-ZDUSSCGKSA-N 0 1 391.762 3.199 20 0 GGADMN CC[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(Cl)c1F ZINC000161821763 565294180 /nfs/dbraw/zinc/29/41/80/565294180.db2.gz STSSFIZGJBALDI-CZUORRHYSA-N 0 1 392.924 3.008 20 0 GGADMN NC(=O)[C@@H](NCCCn1cnc2ccccc21)c1cccc(Br)c1 ZINC000161837346 565294350 /nfs/dbraw/zinc/29/43/50/565294350.db2.gz UOQVVYOAFXLTNN-KRWDZBQOSA-N 0 1 387.281 3.005 20 0 GGADMN CC(C)c1nc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n[nH]1 ZINC000295938003 565295222 /nfs/dbraw/zinc/29/52/22/565295222.db2.gz ADJFNLOUHSQKKC-UHFFFAOYSA-N 0 1 390.658 3.143 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Cl)ccc1Br ZINC000186934942 565296880 /nfs/dbraw/zinc/29/68/80/565296880.db2.gz NUQZZBJPLGDWDT-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN C[C@H](NCCc1nnc2n1CCCCC2)c1ncc(Br)cc1F ZINC000186973584 565299215 /nfs/dbraw/zinc/29/92/15/565299215.db2.gz OTYABPZSLSYFEM-NSHDSACASA-N 0 1 382.281 3.194 20 0 GGADMN CCCOc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C)c1 ZINC000186964361 565299317 /nfs/dbraw/zinc/29/93/17/565299317.db2.gz RYLVSBNTLWYNJL-UHFFFAOYSA-N 0 1 377.388 3.343 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cccc(Br)c3)no2)[C@H]2CCO[C@H]21 ZINC000296061885 565299858 /nfs/dbraw/zinc/29/98/58/565299858.db2.gz GGHPZGGRFGIQCD-BPLDGKMQSA-N 0 1 378.270 3.402 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cc(Br)cs3)no2)[C@@H]2CCO[C@H]21 ZINC000296056661 565300241 /nfs/dbraw/zinc/30/02/41/565300241.db2.gz GBOOZPFSMBVKQH-ZWKOPEQDSA-N 0 1 384.299 3.464 20 0 GGADMN CCc1nc(CCN[C@H](C(N)=O)c2cccc(Br)c2)sc1C ZINC000162051287 565302561 /nfs/dbraw/zinc/30/25/61/565302561.db2.gz MZTNTTGPVMPPRB-HNNXBMFYSA-N 0 1 382.327 3.135 20 0 GGADMN CCn1cc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cn1 ZINC000296102892 565302579 /nfs/dbraw/zinc/30/25/79/565302579.db2.gz QCAQEPJBTQLAAK-KBPBESRZSA-N 0 1 393.329 3.363 20 0 GGADMN O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1n[nH]c(C2CC2)n1 ZINC000296127027 565303004 /nfs/dbraw/zinc/30/30/04/565303004.db2.gz QJKIVPOVIVUAPN-UHFFFAOYSA-N 0 1 375.643 3.338 20 0 GGADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3cc(C)cc(Br)c3)cc12 ZINC000187015875 565303112 /nfs/dbraw/zinc/30/31/12/565303112.db2.gz PWPVXOVNKSCHTH-UHFFFAOYSA-N 0 1 381.255 3.138 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc([S@](C)=O)cc1 ZINC000272945982 565303430 /nfs/dbraw/zinc/30/34/30/565303430.db2.gz LVAREXSDBLOQNK-MCFWBGNESA-N 0 1 387.473 3.271 20 0 GGADMN CCOc1ccccc1CCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162066414 565304263 /nfs/dbraw/zinc/30/42/63/565304263.db2.gz QRLQLHGHWJKYSK-QGZVFWFLSA-N 0 1 377.282 3.207 20 0 GGADMN CCc1nc(CNCc2ccc(OC(F)(F)F)c(Br)c2)n[nH]1 ZINC000296184185 565306675 /nfs/dbraw/zinc/30/66/75/565306675.db2.gz YBBYFONRMDEXGV-UHFFFAOYSA-N 0 1 379.180 3.318 20 0 GGADMN CN1Cc2cc(NS(=O)(=O)c3ccccc3Br)ccc2NC1=O ZINC000187065240 565307328 /nfs/dbraw/zinc/30/73/28/565307328.db2.gz FHTWSFSKALXZOV-UHFFFAOYSA-N 0 1 396.266 3.227 20 0 GGADMN Cc1ccccc1O[C@@H](C)CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162173222 565307667 /nfs/dbraw/zinc/30/76/67/565307667.db2.gz YDUXPGIXIQYQPD-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1cccc(F)c1 ZINC000162171552 565308059 /nfs/dbraw/zinc/30/80/59/565308059.db2.gz YHHHVNLEZBCZBE-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN CC[C@@H](C)N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000296267074 565309932 /nfs/dbraw/zinc/30/99/32/565309932.db2.gz YCLMVIZXMFVUON-CYBMUJFWSA-N 0 1 379.302 3.415 20 0 GGADMN C[C@H](C[S@@](C)=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000273175228 565310615 /nfs/dbraw/zinc/31/06/15/565310615.db2.gz CWZXKODMYOORNF-ICBNKOFZSA-N 0 1 399.965 3.190 20 0 GGADMN C[C@@H](NCCCNC(=O)c1cccc(O)c1)c1ncc(Br)cc1F ZINC000187136268 565312252 /nfs/dbraw/zinc/31/22/52/565312252.db2.gz KXPKMQDWKLOFQD-LLVKDONJSA-N 0 1 396.260 3.160 20 0 GGADMN COc1c(CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)c(C)nn1C ZINC000162314601 565312992 /nfs/dbraw/zinc/31/29/92/565312992.db2.gz FEGXIOKLWZVVSA-NSHDSACASA-N 0 1 395.301 3.007 20 0 GGADMN CCc1nc([C@H](C)NCc2ncc(Br)cc2Br)n[nH]1 ZINC000273269270 565314424 /nfs/dbraw/zinc/31/44/24/565314424.db2.gz ZMQQHLGAFRDPBQ-ZETCQYMHSA-N 0 1 389.095 3.138 20 0 GGADMN Cn1c(=O)[nH]c2ccc(C(=O)Nc3cc(Cl)cc(Br)c3O)cc21 ZINC000162381513 565314588 /nfs/dbraw/zinc/31/45/88/565314588.db2.gz GCKKLFHCPKGHFM-UHFFFAOYSA-N 0 1 396.628 3.240 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000374010304 565314822 /nfs/dbraw/zinc/31/48/22/565314822.db2.gz NZOUKAHPDJYPMZ-CYBMUJFWSA-N 0 1 377.286 3.310 20 0 GGADMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000374013125 565316558 /nfs/dbraw/zinc/31/65/58/565316558.db2.gz ZFNQUBIASGIHKO-OKILXGFUSA-N 0 1 383.334 3.072 20 0 GGADMN CC[C@]1(CO)CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000187229786 565317959 /nfs/dbraw/zinc/31/79/59/565317959.db2.gz LJRFKROFHXWDFC-SFHVURJKSA-N 0 1 392.297 3.464 20 0 GGADMN C[C@H](NCCCOCC1CCOCC1)c1ncc(Br)cc1F ZINC000187233358 565318138 /nfs/dbraw/zinc/31/81/38/565318138.db2.gz OIXHTAZFQIZJGD-LBPRGKRZSA-N 0 1 375.282 3.467 20 0 GGADMN Cc1nc(C(C)(C)C)sc1[C@H](C)NCCNS(=O)(=O)c1ccccc1 ZINC000162487479 565318223 /nfs/dbraw/zinc/31/82/23/565318223.db2.gz RMYXKYJOWYWYRO-ZDUSSCGKSA-N 0 1 381.567 3.378 20 0 GGADMN O=S(=O)(NCCN[C@H]1CCSc2c(Cl)cccc21)c1ccccc1 ZINC000162494877 565318695 /nfs/dbraw/zinc/31/86/95/565318695.db2.gz CWXSMJINXIFJBX-INIZCTEOSA-N 0 1 382.938 3.445 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](CCO)c1ccccc1 ZINC000187259902 565319070 /nfs/dbraw/zinc/31/90/70/565319070.db2.gz VSWXJHCKTSUEBC-INIZCTEOSA-N 0 1 381.925 3.389 20 0 GGADMN C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ncc(Br)cc1F ZINC000187294347 565321592 /nfs/dbraw/zinc/32/15/92/565321592.db2.gz DIAHUUMZZBDLNA-JQWIXIFHSA-N 0 1 383.240 3.447 20 0 GGADMN O=C(Nc1nc(-c2cccc(Cl)c2)ns1)N1CC[C@@H](N2CC=CC2)C1 ZINC000273520719 565323663 /nfs/dbraw/zinc/32/36/63/565323663.db2.gz SMFNGAZJEQXCAR-CQSZACIVSA-N 0 1 375.885 3.337 20 0 GGADMN O=C(Nc1nc(-c2cccc(Cl)c2)ns1)N1CC[C@H](N2CC=CC2)C1 ZINC000273520718 565323973 /nfs/dbraw/zinc/32/39/73/565323973.db2.gz SMFNGAZJEQXCAR-AWEZNQCLSA-N 0 1 375.885 3.337 20 0 GGADMN CC[C@H](NCC(=O)N[C@H](C(=O)NC)c1ccccc1)c1ccc(Cl)s1 ZINC000273553306 565324757 /nfs/dbraw/zinc/32/47/57/565324757.db2.gz XTYONCLXODHUHW-GUYCJALGSA-N 0 1 379.913 3.046 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000162676985 565324820 /nfs/dbraw/zinc/32/48/20/565324820.db2.gz USCCYGAQAOFJOE-XJKSGUPXSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000162676985 565324821 /nfs/dbraw/zinc/32/48/21/565324821.db2.gz USCCYGAQAOFJOE-XJKSGUPXSA-N 0 1 379.298 3.244 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000273540464 565325327 /nfs/dbraw/zinc/32/53/27/565325327.db2.gz VIEOWNPGDJTYMC-CYBMUJFWSA-N 0 1 386.926 3.484 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000187350533 565325433 /nfs/dbraw/zinc/32/54/33/565325433.db2.gz OIVLJOIXBASDGZ-UHFFFAOYSA-N 0 1 376.873 3.252 20 0 GGADMN Cc1cc2c(cc1C)[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000187393208 565328849 /nfs/dbraw/zinc/32/88/49/565328849.db2.gz RENLGPPUVPSERF-ZBFHGGJFSA-N 0 1 397.587 3.326 20 0 GGADMN Cc1cc2c(cc1C)[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000187393220 565329200 /nfs/dbraw/zinc/32/92/00/565329200.db2.gz RENLGPPUVPSERF-GDBMZVCRSA-N 0 1 397.587 3.326 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1F ZINC000187398325 565329503 /nfs/dbraw/zinc/32/95/03/565329503.db2.gz DEIMZPGABCASQY-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN Cn1cc([C@H](O)C[C@H]2CCCN2CCOc2ccccc2Br)cn1 ZINC000374315915 565331113 /nfs/dbraw/zinc/33/11/13/565331113.db2.gz GPUYVKKEHZYJNQ-NVXWUHKLSA-N 0 1 394.313 3.150 20 0 GGADMN COc1cc(CN[C@@H]2CN(C)Cc3ccccc32)cc(Br)c1O ZINC000374330804 565332142 /nfs/dbraw/zinc/33/21/42/565332142.db2.gz JCAJRIRBIOOUFH-MRXNPFEDSA-N 0 1 377.282 3.440 20 0 GGADMN O=C(CNCc1ccc(Br)s1)N[C@H]1CCOc2ccccc21 ZINC000374331109 565333044 /nfs/dbraw/zinc/33/30/44/565333044.db2.gz XZOAOHJRAVMLHX-ZDUSSCGKSA-N 0 1 381.295 3.240 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000187451342 565333646 /nfs/dbraw/zinc/33/36/46/565333646.db2.gz ZQLOYJXWORNBCZ-LSDHHAIUSA-N 0 1 375.460 3.455 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CCS1 ZINC000187456567 565333744 /nfs/dbraw/zinc/33/37/44/565333744.db2.gz DBVKFYDFYCQBRS-IUODEOHRSA-N 0 1 375.460 3.455 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)cc1 ZINC000296765595 565334678 /nfs/dbraw/zinc/33/46/78/565334678.db2.gz QXXJEPRCZNVOGT-UHFFFAOYSA-N 0 1 382.507 3.027 20 0 GGADMN COCCn1cc(CN[C@@H]2CCCOc3c(Br)cccc32)cn1 ZINC000374376645 565334780 /nfs/dbraw/zinc/33/47/80/565334780.db2.gz FWAFXIHORMTNCJ-MRXNPFEDSA-N 0 1 380.286 3.296 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163056097 565335159 /nfs/dbraw/zinc/33/51/59/565335159.db2.gz MHMRNQHHJNLSIL-NSHDSACASA-N 0 1 384.860 3.172 20 0 GGADMN Cc1cn2c(n1)[C@@H](CNC(=O)c1cc(Br)cc3nc[nH]c31)CCC2 ZINC000374377656 565335363 /nfs/dbraw/zinc/33/53/63/565335363.db2.gz MGOACYZQQJTMKZ-LLVKDONJSA-N 0 1 388.269 3.138 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C)cc(Br)c2)CCN1C[C@@H](C)O ZINC000187488619 565335979 /nfs/dbraw/zinc/33/59/79/565335979.db2.gz AHUCDEXDGMYLGG-CJNGLKHVSA-N 0 1 384.318 3.066 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1 ZINC000163082188 565336441 /nfs/dbraw/zinc/33/64/41/565336441.db2.gz AGTYMIUVCQLDPS-UHFFFAOYSA-N 0 1 396.881 3.415 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000187506219 565337368 /nfs/dbraw/zinc/33/73/68/565337368.db2.gz RVJOHSNHVCHSDN-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1cc(Br)cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000187507115 565337378 /nfs/dbraw/zinc/33/73/78/565337378.db2.gz NATBRKDYKSZPOH-HNNXBMFYSA-N 0 1 396.329 3.334 20 0 GGADMN C[C@@H](NCCNC(=O)c1ccccc1F)c1cc(Br)ncc1F ZINC000273806984 565338108 /nfs/dbraw/zinc/33/81/08/565338108.db2.gz ACMSWEHLNFCDLV-SNVBAGLBSA-N 0 1 384.224 3.203 20 0 GGADMN C[C@H](NCCNC(=O)c1ccccc1F)c1cc(Br)ncc1F ZINC000273806980 565338311 /nfs/dbraw/zinc/33/83/11/565338311.db2.gz ACMSWEHLNFCDLV-JTQLQIEISA-N 0 1 384.224 3.203 20 0 GGADMN Brc1cccc(Cc2noc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374397456 565338346 /nfs/dbraw/zinc/33/83/46/565338346.db2.gz CITAFNPMHDRYMO-LSDHHAIUSA-N 0 1 392.297 3.281 20 0 GGADMN Brc1ccc(-c2noc(CN3CC[C@@H]([C@@H]4CCOC4)C3)n2)s1 ZINC000374414218 565338365 /nfs/dbraw/zinc/33/83/65/565338365.db2.gz ZIZRQNNBFTVUKD-GHMZBOCLSA-N 0 1 384.299 3.419 20 0 GGADMN Brc1csc(-c2noc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374400705 565338382 /nfs/dbraw/zinc/33/83/82/565338382.db2.gz BFURECUTPNFYJF-WDEREUQCSA-N 0 1 384.299 3.419 20 0 GGADMN C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ncc1F ZINC000273845695 565340541 /nfs/dbraw/zinc/34/05/41/565340541.db2.gz ITEYIPGQPQQPPR-NORZTCDRSA-N 0 1 383.261 3.118 20 0 GGADMN COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cc(Br)ncc2F)c1 ZINC000273863970 565341514 /nfs/dbraw/zinc/34/15/14/565341514.db2.gz MVSXYTWVCSZPSZ-ZUZCIYMTSA-N 0 1 399.260 3.385 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000163313243 565342513 /nfs/dbraw/zinc/34/25/13/565342513.db2.gz HDLJWUYMHBGFNR-KGLIPLIRSA-N 0 1 390.281 3.480 20 0 GGADMN COc1ccc(C(=O)NCCN[C@H](C)c2cc(Br)ncc2F)cc1 ZINC000273888214 565343357 /nfs/dbraw/zinc/34/33/57/565343357.db2.gz 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/nfs/dbraw/zinc/34/57/24/565345724.db2.gz WMTCKJNMYCKCIN-MRVPVSSYSA-N 0 1 379.262 3.285 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(CC(F)(F)F)CC1 ZINC000187643169 565346691 /nfs/dbraw/zinc/34/66/91/565346691.db2.gz YWXIRDZVVUYMPQ-UHFFFAOYSA-N 0 1 378.807 3.112 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)NCc3n[nH]c(C(C)C)n3)c2o1 ZINC000296953669 565347596 /nfs/dbraw/zinc/34/75/96/565347596.db2.gz RGMOCONMVSUDNA-UHFFFAOYSA-N 0 1 393.245 3.462 20 0 GGADMN CN(C)C(=O)CC1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000187722002 565351246 /nfs/dbraw/zinc/35/12/46/565351246.db2.gz LNCSNHJQZKZPSH-UHFFFAOYSA-N 0 1 380.901 3.122 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCN1CCCC1 ZINC000163752871 565351373 /nfs/dbraw/zinc/35/13/73/565351373.db2.gz ZMEOKBUMJCYNQN-AWEZNQCLSA-N 0 1 381.314 3.212 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2cncc(Br)c2)cc1 ZINC000187737811 565351500 /nfs/dbraw/zinc/35/15/00/565351500.db2.gz BIZSWAURSQITAK-UHFFFAOYSA-N 0 1 379.254 3.028 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H](C)O1 ZINC000187756704 565352398 /nfs/dbraw/zinc/35/23/98/565352398.db2.gz FWBVELAZIVTMLG-TXEJJXNPSA-N 0 1 382.917 3.021 20 0 GGADMN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CN(C)[C@H]1CCSC1 ZINC000163883190 565352507 /nfs/dbraw/zinc/35/25/07/565352507.db2.gz RDXDHJRLINPMOI-INIZCTEOSA-N 0 1 397.382 3.376 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H](C)Cc2cccc(Br)c2)n[nH]1 ZINC000297057390 565353642 /nfs/dbraw/zinc/35/36/42/565353642.db2.gz CVZCFXXOKODVQH-NSHDSACASA-N 0 1 380.290 3.121 20 0 GGADMN CCSc1cc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccn1 ZINC000187795736 565355889 /nfs/dbraw/zinc/35/58/89/565355889.db2.gz XUHAYFAXZHNDLM-CQSZACIVSA-N 0 1 379.551 3.295 20 0 GGADMN CCSc1cc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccn1 ZINC000187791543 565356063 /nfs/dbraw/zinc/35/60/63/565356063.db2.gz IJQKQVUQXFQCAK-ZDUSSCGKSA-N 0 1 380.535 3.457 20 0 GGADMN CCSc1cc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccn1 ZINC000187788951 565356186 /nfs/dbraw/zinc/35/61/86/565356186.db2.gz QPAXOASGGBUGDA-CQSZACIVSA-N 0 1 379.551 3.295 20 0 GGADMN Cc1nnc(SCCC(=O)NC/C=C/c2ccc(Br)cc2)[nH]1 ZINC000297100535 565356267 /nfs/dbraw/zinc/35/62/67/565356267.db2.gz YWZFPRNLEHVKSK-NSCUHMNNSA-N 0 1 381.299 3.187 20 0 GGADMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(Br)c(Br)c1 ZINC000187830765 565358615 /nfs/dbraw/zinc/35/86/15/565358615.db2.gz BVZUCEPKSKUJIS-HUTHGQBESA-N 0 1 383.149 3.410 20 0 GGADMN CC[C@@H](NS(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)s1 ZINC000274194108 565360824 /nfs/dbraw/zinc/36/08/24/565360824.db2.gz RQXIRTROZDAAON-SSDOTTSWSA-N 0 1 380.900 3.074 20 0 GGADMN CCc1nc(CNC(=O)N(CC)Cc2cc(Br)ccc2F)n[nH]1 ZINC000297199966 565360924 /nfs/dbraw/zinc/36/09/24/565360924.db2.gz CRJCWQYAXPNUAD-UHFFFAOYSA-N 0 1 384.253 3.000 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164665631 565361161 /nfs/dbraw/zinc/36/11/61/565361161.db2.gz YVJGBDCXLJOAHL-UWVGGRQHSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164665753 565361305 /nfs/dbraw/zinc/36/13/05/565361305.db2.gz YVJGBDCXLJOAHL-ZJUUUORDSA-N 0 1 378.778 3.482 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)o1 ZINC000164671579 565361338 /nfs/dbraw/zinc/36/13/38/565361338.db2.gz WERDYKACGWQAHB-UHFFFAOYSA-N 0 1 381.303 3.333 20 0 GGADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cnc(Cl)c(Br)c3)C2)C1 ZINC000297214929 565362345 /nfs/dbraw/zinc/36/23/45/565362345.db2.gz PFFUYPHOPNJPEW-OAHLLOKOSA-N 0 1 387.709 3.447 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000297218127 565362355 /nfs/dbraw/zinc/36/23/55/565362355.db2.gz LSLOBNWADFIPAR-UHFFFAOYSA-N 0 1 392.301 3.221 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000297207364 565362364 /nfs/dbraw/zinc/36/23/64/565362364.db2.gz VJEXISQHZDBFFA-AGIUHOORSA-N 0 1 376.448 3.323 20 0 GGADMN O=C(Nc1ccsc1Cl)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000187928256 565363919 /nfs/dbraw/zinc/36/39/19/565363919.db2.gz GYBWFRXJVCKMDQ-CQSZACIVSA-N 0 1 377.897 3.121 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297251135 565364663 /nfs/dbraw/zinc/36/46/63/565364663.db2.gz RXSBDACJGJMOFC-UHFFFAOYSA-N 0 1 380.246 3.083 20 0 GGADMN Clc1cccc(-n2cc(CNCCc3cn4c(n3)SCC4)nn2)c1Cl ZINC000274272175 565365547 /nfs/dbraw/zinc/36/55/47/565365547.db2.gz RLGZKRLOEWVEOT-UHFFFAOYSA-N 0 1 395.319 3.209 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)NCCCCSc1ccccc1Br ZINC000297269227 565365810 /nfs/dbraw/zinc/36/58/10/565365810.db2.gz OTPKGSQEYORPMK-UHFFFAOYSA-N 0 1 398.330 3.281 20 0 GGADMN C[C@@H](CS(C)(=O)=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000187961580 565366496 /nfs/dbraw/zinc/36/64/96/565366496.db2.gz IIBGTZKJGDNGEV-ZUZCIYMTSA-N 0 1 378.307 3.452 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000297291631 565366411 /nfs/dbraw/zinc/36/64/11/565366411.db2.gz HCRBXRGLSYTFBV-UHFFFAOYSA-N 0 1 398.692 3.094 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000274328391 565367691 /nfs/dbraw/zinc/36/76/91/565367691.db2.gz ALPLGLLQSOHPOJ-HNNXBMFYSA-N 0 1 387.242 3.447 20 0 GGADMN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CSc1n[nH]c(=S)s1 ZINC000274345953 565367809 /nfs/dbraw/zinc/36/78/09/565367809.db2.gz JJPYEGHFTPLTDR-LLVKDONJSA-N 0 1 381.548 3.164 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000274328393 565367854 /nfs/dbraw/zinc/36/78/54/565367854.db2.gz ALPLGLLQSOHPOJ-OAHLLOKOSA-N 0 1 387.242 3.447 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000297358866 565369750 /nfs/dbraw/zinc/36/97/50/565369750.db2.gz IHFOHQVPPOSYHQ-SJORKVTESA-N 0 1 381.929 3.379 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000188017021 565370964 /nfs/dbraw/zinc/37/09/64/565370964.db2.gz HZRHLHGDMOGFKN-CYBMUJFWSA-N 0 1 398.326 3.255 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000274428096 565371374 /nfs/dbraw/zinc/37/13/74/565371374.db2.gz VEPCSGLCSDGZDT-WBMJQRKESA-N 0 1 393.285 3.152 20 0 GGADMN COCCOc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c(Cl)c1 ZINC000274449125 565371422 /nfs/dbraw/zinc/37/14/22/565371422.db2.gz IIYAGPIYPRIGIY-QGZVFWFLSA-N 0 1 382.913 3.459 20 0 GGADMN O=S(=O)([N-]c1cc[nH+]cc1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000188022093 565372406 /nfs/dbraw/zinc/37/24/06/565372406.db2.gz LVVHMQRXDZBQIP-HNNXBMFYSA-N 0 1 382.869 3.484 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000297421514 565372461 /nfs/dbraw/zinc/37/24/61/565372461.db2.gz SVKHYVAMVKZNPK-JTQLQIEISA-N 0 1 398.280 3.260 20 0 GGADMN C[C@@H](NCc1cc(Br)cc(Br)c1N)c1cnn(C)c1 ZINC000274544837 565373287 /nfs/dbraw/zinc/37/32/87/565373287.db2.gz CYWBGAPCXDTIRC-MRVPVSSYSA-N 0 1 388.107 3.378 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000274575776 565374887 /nfs/dbraw/zinc/37/48/87/565374887.db2.gz IAVIILPTBHYTPQ-UHFFFAOYSA-N 0 1 393.285 3.234 20 0 GGADMN Cc1nn(C)cc1CN[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000167183952 565376944 /nfs/dbraw/zinc/37/69/44/565376944.db2.gz KWOWRNCVELPCLB-KRWDZBQOSA-N 0 1 391.313 3.085 20 0 GGADMN Cc1nn(C)cc1CN[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000167184043 565377106 /nfs/dbraw/zinc/37/71/06/565377106.db2.gz KWOWRNCVELPCLB-QGZVFWFLSA-N 0 1 391.313 3.085 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@H](C)N1C ZINC000297577575 565377794 /nfs/dbraw/zinc/37/77/94/565377794.db2.gz CENFRPYHKPKGMT-OZVIIMIRSA-N 0 1 381.318 3.029 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCOCC2(CCOCC2)C1 ZINC000188084824 565377830 /nfs/dbraw/zinc/37/78/30/565377830.db2.gz VIQTVRNQGOVBJZ-UHFFFAOYSA-N 0 1 381.885 3.061 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188096854 565377905 /nfs/dbraw/zinc/37/79/05/565377905.db2.gz CMEVZXTXHWMWRC-UHFFFAOYSA-N 0 1 395.283 3.478 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000188117077 565380357 /nfs/dbraw/zinc/38/03/57/565380357.db2.gz GJZBYLVTOBGJEK-DYVFJYSZSA-N 0 1 392.297 3.266 20 0 GGADMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)cn1 ZINC000274795916 565381465 /nfs/dbraw/zinc/38/14/65/565381465.db2.gz SWZRJLFZBXUHEA-GFCCVEGCSA-N 0 1 383.876 3.265 20 0 GGADMN Cn1ccc2cccc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)c21 ZINC000188124963 565381503 /nfs/dbraw/zinc/38/15/03/565381503.db2.gz FFZJNYDTCDXJMT-UHFFFAOYSA-N 0 1 377.853 3.456 20 0 GGADMN COCCN(Cc1ccccn1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000274821457 565382791 /nfs/dbraw/zinc/38/27/91/565382791.db2.gz SKYYPEXPLVSEHX-KRWDZBQOSA-N 0 1 383.261 3.165 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCCC[C@H]1c1nnc[nH]1 ZINC000188147230 565382675 /nfs/dbraw/zinc/38/26/75/565382675.db2.gz CJCMOESWRPALIP-VIFPVBQESA-N 0 1 379.244 3.167 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000375351632 565382963 /nfs/dbraw/zinc/38/29/63/565382963.db2.gz DPKIBIWZBZWHQG-UHFFFAOYSA-N 0 1 381.263 3.370 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000170612874 565383751 /nfs/dbraw/zinc/38/37/51/565383751.db2.gz MGGRXQXZTJPNNQ-UHFFFAOYSA-N 0 1 380.238 3.454 20 0 GGADMN Brc1cccc(OCCSCCN[C@@H]2CCn3ccnc32)c1 ZINC000297731351 565384143 /nfs/dbraw/zinc/38/41/43/565384143.db2.gz NPQRFRUSOHZVJC-OAHLLOKOSA-N 0 1 382.327 3.492 20 0 GGADMN CSc1ccsc1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188169624 565384730 /nfs/dbraw/zinc/38/47/30/565384730.db2.gz FUODVGZGKIWBCE-IBGZPJMESA-N 0 1 376.547 3.179 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000170647515 565384826 /nfs/dbraw/zinc/38/48/26/565384826.db2.gz UORLNXSSWLXHEB-BBRMVZONSA-N 0 1 399.329 3.329 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CC[C@H](N4CC=CC4)C3)c2o1 ZINC000274921417 565385976 /nfs/dbraw/zinc/38/59/76/565385976.db2.gz JEZACSNUNZSHBK-ZDUSSCGKSA-N 0 1 391.269 3.377 20 0 GGADMN O=S(=O)(Nc1cccc(O)c1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000274966466 565387058 /nfs/dbraw/zinc/38/70/58/565387058.db2.gz CBSIYZYUSSSORP-GFCCVEGCSA-N 0 1 383.853 3.262 20 0 GGADMN O=S(=O)(Nc1cccc(O)c1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000274966467 565387088 /nfs/dbraw/zinc/38/70/88/565387088.db2.gz CBSIYZYUSSSORP-LBPRGKRZSA-N 0 1 383.853 3.262 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000297826717 565387804 /nfs/dbraw/zinc/38/78/04/565387804.db2.gz GJISTVORDQAWTP-UHFFFAOYSA-N 0 1 398.330 3.280 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](CCC(N)=O)C2)ccc1Br ZINC000170734362 565389686 /nfs/dbraw/zinc/38/96/86/565389686.db2.gz XTUZWWXWOQZTBC-ZIAGYGMSSA-N 0 1 396.329 3.062 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cc(F)ccc1SCC(F)F ZINC000188258230 565390638 /nfs/dbraw/zinc/39/06/38/565390638.db2.gz RLAMHVPOZQIBQW-UHFFFAOYSA-N 0 1 377.432 3.027 20 0 GGADMN Cc1csc(C(=O)Nc2ccc3[nH]nnc3c2)c1I ZINC000188262479 565391940 /nfs/dbraw/zinc/39/19/40/565391940.db2.gz DPQHYIPZAQJCME-UHFFFAOYSA-N 0 1 384.202 3.185 20 0 GGADMN CN(C)CC(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000170773345 565392009 /nfs/dbraw/zinc/39/20/09/565392009.db2.gz PLMBZNORIPLVMP-UHFFFAOYSA-N 0 1 380.261 3.074 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cn2)N2CCCC2)o1 ZINC000170762762 565392126 /nfs/dbraw/zinc/39/21/26/565392126.db2.gz HTKKVMMLFJJXPF-OAHLLOKOSA-N 0 1 378.270 3.312 20 0 GGADMN O=C(CSC[C@H]1CCCCO1)Nc1cccc(CN2CCSCC2)c1 ZINC000170772293 565392361 /nfs/dbraw/zinc/39/23/61/565392361.db2.gz ZZQIKLIPUGMWFO-GOSISDBHSA-N 0 1 380.579 3.476 20 0 GGADMN CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1nc(C2CC2)no1 ZINC000170787861 565392903 /nfs/dbraw/zinc/39/29/03/565392903.db2.gz QEMOQQPOCSZTTJ-CYBMUJFWSA-N 0 1 375.372 3.040 20 0 GGADMN CCC[C@@H](CNC(=O)CN(C)CCC(=O)NC)c1ccc(Cl)cc1Cl ZINC000170820760 565394151 /nfs/dbraw/zinc/39/41/51/565394151.db2.gz CTPUZDUQTYLRAY-ZDUSSCGKSA-N 0 1 388.339 3.061 20 0 GGADMN O=C(CN[C@H](c1ccc(Br)cc1Cl)C1CC1)N1CCOCC1 ZINC000188307398 565394483 /nfs/dbraw/zinc/39/44/83/565394483.db2.gz WULPHDLDIXCTEA-INIZCTEOSA-N 0 1 387.705 3.002 20 0 GGADMN O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(Br)cc1O ZINC000170852656 565396020 /nfs/dbraw/zinc/39/60/20/565396020.db2.gz WIKZHSOQQJJRHS-UHFFFAOYSA-N 0 1 377.223 3.321 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)n[nH]1 ZINC000298035029 565396285 /nfs/dbraw/zinc/39/62/85/565396285.db2.gz RBXBUBBAIDUFAM-AWEZNQCLSA-N 0 1 393.289 3.036 20 0 GGADMN CC[C@@H](NC(=O)NCc1n[nH]c(C(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000298033104 565396468 /nfs/dbraw/zinc/39/64/68/565396468.db2.gz SPGOEYUEGUIUDP-MRVPVSSYSA-N 0 1 376.408 3.354 20 0 GGADMN CCC(CC)(C(=O)NCCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000170903836 565398094 /nfs/dbraw/zinc/39/80/94/565398094.db2.gz CTVFJPZSAGTGBQ-UHFFFAOYSA-N 0 1 386.367 3.415 20 0 GGADMN Cc1cc(Cc2cnc(NC(=O)[C@H]3C[C@H](F)CN3)s2)ccc1Br ZINC000188394858 565398951 /nfs/dbraw/zinc/39/89/51/565398951.db2.gz OTZMMJHUFVNQNQ-SMDDNHRTSA-N 0 1 398.301 3.443 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CCN1 ZINC000188411071 565399882 /nfs/dbraw/zinc/39/98/82/565399882.db2.gz REKXFSYICUCPIF-GFCCVEGCSA-N 0 1 376.254 3.070 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1N[C@H](CO)c1ccc(Br)cc1 ZINC000298136326 565400343 /nfs/dbraw/zinc/40/03/43/565400343.db2.gz LEUFSXXNJZGHHR-IAGOWNOFSA-N 0 1 375.266 3.026 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cncc(Br)c3)C1)CCCC2 ZINC000275272040 565400681 /nfs/dbraw/zinc/40/06/81/565400681.db2.gz JMANIBMLQCKGAG-OAHLLOKOSA-N 0 1 389.297 3.315 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N[C@H](CO)c1ccc(Br)cc1 ZINC000298136323 565400883 /nfs/dbraw/zinc/40/08/83/565400883.db2.gz LEUFSXXNJZGHHR-DLBZAZTESA-N 0 1 375.266 3.026 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1N[C@@H](CO)c1ccc(Br)cc1 ZINC000298136330 565400930 /nfs/dbraw/zinc/40/09/30/565400930.db2.gz LEUFSXXNJZGHHR-SJORKVTESA-N 0 1 375.266 3.026 20 0 GGADMN CCN(C1CCN(Cc2cc(Cl)cc3cccnc32)CC1)S(C)(=O)=O ZINC000171000880 565401752 /nfs/dbraw/zinc/40/17/52/565401752.db2.gz OQCDJFRONAHTNU-UHFFFAOYSA-N 0 1 381.929 3.134 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000298161973 565401836 /nfs/dbraw/zinc/40/18/36/565401836.db2.gz PXINUQVRPUSCKZ-CYBMUJFWSA-N 0 1 386.283 3.158 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccsc2)cc1Br ZINC000188449825 565402122 /nfs/dbraw/zinc/40/21/22/565402122.db2.gz OMSOCVDKHOTSKC-UHFFFAOYSA-N 0 1 375.269 3.270 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCN[C@H](C)C1 ZINC000188448239 565402446 /nfs/dbraw/zinc/40/24/46/565402446.db2.gz CETDDNQYPUEFOV-LLVKDONJSA-N 0 1 381.307 3.159 20 0 GGADMN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1C[C@H](F)CN1 ZINC000188445894 565402529 /nfs/dbraw/zinc/40/25/29/565402529.db2.gz RWAAIDGCEAFATP-WCQYABFASA-N 0 1 384.274 3.135 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(Br)c1C ZINC000171013082 565402663 /nfs/dbraw/zinc/40/26/63/565402663.db2.gz AHMKGJFLNIEYTR-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN Brc1ccc2oc(CN3CCC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000375716896 565402741 /nfs/dbraw/zinc/40/27/41/565402741.db2.gz NAPRBAVHEMIESN-GFCCVEGCSA-N 0 1 376.258 3.094 20 0 GGADMN C[C@@H]1CN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)CCN1 ZINC000188472079 565403205 /nfs/dbraw/zinc/40/32/05/565403205.db2.gz VGZWQJJIWPKWDP-LLVKDONJSA-N 0 1 379.291 3.102 20 0 GGADMN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1ccccc1Br ZINC000171014310 565403223 /nfs/dbraw/zinc/40/32/23/565403223.db2.gz LXAREAMCFQPKRM-UHFFFAOYSA-N 0 1 380.223 3.300 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2O)cc1Br ZINC000188464896 565403477 /nfs/dbraw/zinc/40/34/77/565403477.db2.gz SGDIGUUSKLBICI-UHFFFAOYSA-N 0 1 399.266 3.222 20 0 GGADMN O=C(Nc1cccc(Br)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000188492205 565404274 /nfs/dbraw/zinc/40/42/74/565404274.db2.gz IYXNJJULJLQAIP-LLVKDONJSA-N 0 1 391.273 3.251 20 0 GGADMN COc1ccc(Br)c(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000275341059 565404725 /nfs/dbraw/zinc/40/47/25/565404725.db2.gz RURQTKCDHRJZQE-WMZOPIPTSA-N 0 1 394.313 3.428 20 0 GGADMN CC(C)(NC(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1Br ZINC000298224571 565404921 /nfs/dbraw/zinc/40/49/21/565404921.db2.gz WAYYVFKNGBTLHZ-UHFFFAOYSA-N 0 1 378.274 3.179 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CCc3cc(Br)cc(F)c32)n[nH]1 ZINC000298246062 565406036 /nfs/dbraw/zinc/40/60/36/565406036.db2.gz YBIPBWJRCUUVLX-UHFFFAOYSA-N 0 1 382.237 3.102 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N(Cc1csc(Br)c1)C1CC1 ZINC000298248500 565406301 /nfs/dbraw/zinc/40/63/01/565406301.db2.gz YIAGMOANFHUIRU-UHFFFAOYSA-N 0 1 396.314 3.380 20 0 GGADMN CC(C)c1nc(CNC(=O)N(C)Cc2cc(Br)ccc2F)n[nH]1 ZINC000298255325 565406319 /nfs/dbraw/zinc/40/63/19/565406319.db2.gz ZEEDHTRTNBHUGB-UHFFFAOYSA-N 0 1 384.253 3.171 20 0 GGADMN COc1ccc(Br)cc1CN1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000375823261 565407756 /nfs/dbraw/zinc/40/77/56/565407756.db2.gz JJUIYFZXDPHDGX-SJORKVTESA-N 0 1 394.313 3.279 20 0 GGADMN C[C@@H](CNC(=O)COc1ccc(Br)cc1Cl)[N@@H+](C)C1CC1 ZINC000171110100 565409959 /nfs/dbraw/zinc/40/99/59/565409959.db2.gz QLPJOZIGYRNJFR-JTQLQIEISA-N 0 1 375.694 3.080 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(Br)cc1 ZINC000171118622 565411315 /nfs/dbraw/zinc/41/13/15/565411315.db2.gz SMGRYCJHVLFTJG-AWEZNQCLSA-N 0 1 391.309 3.467 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(Br)cc1 ZINC000171118627 565411474 /nfs/dbraw/zinc/41/14/74/565411474.db2.gz SMGRYCJHVLFTJG-CQSZACIVSA-N 0 1 391.309 3.467 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000375914624 565412661 /nfs/dbraw/zinc/41/26/61/565412661.db2.gz RXWHBBYJHOLFOM-UHFFFAOYSA-N 0 1 388.269 3.148 20 0 GGADMN O=C(Nc1cc(Br)c[nH]c1=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188616174 565413191 /nfs/dbraw/zinc/41/31/91/565413191.db2.gz PSPZRCZIZNOSRL-UHFFFAOYSA-N 0 1 399.657 3.495 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)n[nH]1 ZINC000298426548 565413296 /nfs/dbraw/zinc/41/32/96/565413296.db2.gz SATUADHACTWJLZ-WCQYABFASA-N 0 1 378.274 3.046 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)CCN1CC(C)(C)O ZINC000188636373 565413633 /nfs/dbraw/zinc/41/36/33/565413633.db2.gz LDOGNFCGOSSSCO-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN C[C@]1(O)CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000375925583 565414267 /nfs/dbraw/zinc/41/42/67/565414267.db2.gz ADGIQUKBINTOBH-KRWDZBQOSA-N 0 1 378.270 3.216 20 0 GGADMN Cc1c(Br)cccc1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000171154203 565414387 /nfs/dbraw/zinc/41/43/87/565414387.db2.gz REGHIGAQNYYTMJ-STQMWFEESA-N 0 1 384.318 3.378 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2sccc2C)c(C)c1 ZINC000171150747 565414502 /nfs/dbraw/zinc/41/45/02/565414502.db2.gz LWOMLYDMMWJYMY-UHFFFAOYSA-N 0 1 377.491 3.419 20 0 GGADMN C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCN1CC(C)(C)O ZINC000188652754 565414901 /nfs/dbraw/zinc/41/49/01/565414901.db2.gz IJVDGWJZHDXZPK-LLVKDONJSA-N 0 1 384.307 3.392 20 0 GGADMN COc1ccc(Br)c(CC(=O)N2CCC(c3cn[nH]c3C)CC2)c1 ZINC000375963107 565415209 /nfs/dbraw/zinc/41/52/09/565415209.db2.gz IREXFYHIGHBIMH-UHFFFAOYSA-N 0 1 392.297 3.438 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CCN1CC(C)(C)O ZINC000188658451 565415684 /nfs/dbraw/zinc/41/56/84/565415684.db2.gz UNBAWXJCPLNDMO-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(N)nc(Cl)c1 ZINC000171210314 565417627 /nfs/dbraw/zinc/41/76/27/565417627.db2.gz BSBNXDCVZVOMRH-UHFFFAOYSA-N 0 1 376.913 3.427 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(N)nc(Cl)c1 ZINC000171210309 565418095 /nfs/dbraw/zinc/41/80/95/565418095.db2.gz VGRWJMVOVNZGQU-UHFFFAOYSA-N 0 1 376.913 3.427 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(Br)cc2c1OCC2 ZINC000275566056 565418330 /nfs/dbraw/zinc/41/83/30/565418330.db2.gz ODNIFASDRGETPZ-RDJZCZTQSA-N 0 1 392.297 3.220 20 0 GGADMN CCCCCOCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000171222447 565419712 /nfs/dbraw/zinc/41/97/12/565419712.db2.gz CFHPFPWKUPPMIV-UHFFFAOYSA-N 0 1 381.274 3.057 20 0 GGADMN CCCCCOCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000171222447 565419715 /nfs/dbraw/zinc/41/97/15/565419715.db2.gz CFHPFPWKUPPMIV-UHFFFAOYSA-N 0 1 381.274 3.057 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCN1CC(C)(C)O ZINC000188720361 565419723 /nfs/dbraw/zinc/41/97/23/565419723.db2.gz XDUHOMQROWEEDH-CSMYWGQOSA-N 0 1 385.335 3.401 20 0 GGADMN OCCN(Cc1ncc(-c2ccc(Br)cc2)o1)C1CCOCC1 ZINC000275632493 565420439 /nfs/dbraw/zinc/42/04/39/565420439.db2.gz VINWCTKRFVTVHM-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000188759077 565422054 /nfs/dbraw/zinc/42/20/54/565422054.db2.gz JSPIVVWGRYKMSI-NSHDSACASA-N 0 1 378.822 3.276 20 0 GGADMN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000171262349 565422614 /nfs/dbraw/zinc/42/26/14/565422614.db2.gz JGSCSZOHNKCRPX-UHFFFAOYSA-N 0 1 376.331 3.005 20 0 GGADMN CC(C)[C@H](NCCC(=O)Nc1ccc(Br)cc1F)c1nncn1C ZINC000298672694 565424942 /nfs/dbraw/zinc/42/49/42/565424942.db2.gz YOBMPCRKIPPQBY-HNNXBMFYSA-N 0 1 398.280 3.032 20 0 GGADMN C[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000298664729 565425185 /nfs/dbraw/zinc/42/51/85/565425185.db2.gz YDRNZGFMQXGZTM-NSHDSACASA-N 0 1 392.253 3.252 20 0 GGADMN Cc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1NS(C)(=O)=O ZINC000188806181 565425677 /nfs/dbraw/zinc/42/56/77/565425677.db2.gz YKJNXDPWJDWWRG-UHFFFAOYSA-N 0 1 376.463 3.070 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188828157 565426873 /nfs/dbraw/zinc/42/68/73/565426873.db2.gz RESQBGHPCCMSEP-NSHDSACASA-N 0 1 380.901 3.170 20 0 GGADMN COc1ccc([C@H](C)NCc2cc(=O)n3ccccc3n2)cc1Br ZINC000171360876 565428298 /nfs/dbraw/zinc/42/82/98/565428298.db2.gz QPKZAKZTKVFNIB-LBPRGKRZSA-N 0 1 388.265 3.316 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc3cccc(Br)c3n2)C1(C)C ZINC000275846140 565428901 /nfs/dbraw/zinc/42/89/01/565428901.db2.gz WGYJPNFSLNPNCJ-UGSOOPFHSA-N 0 1 392.297 3.468 20 0 GGADMN CN1CCN(Cc2ccc(NCc3cccnc3)cc2Br)CC1 ZINC000188883271 565430145 /nfs/dbraw/zinc/43/01/45/565430145.db2.gz WTNMKJCYAJAKRA-UHFFFAOYSA-N 0 1 375.314 3.204 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2nnc(-c3ccccc3Cl)s2)C1(C)C ZINC000275866989 565430333 /nfs/dbraw/zinc/43/03/33/565430333.db2.gz ZKFAULCHOFAILL-PXAZEXFGSA-N 0 1 380.901 3.330 20 0 GGADMN CCN(C)C(=O)[C@@H](C)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000188890654 565430788 /nfs/dbraw/zinc/43/07/88/565430788.db2.gz CUSWADNNOGHTQV-SECBINFHSA-N 0 1 395.244 3.016 20 0 GGADMN Cc1ncsc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000298833443 565431246 /nfs/dbraw/zinc/43/12/46/565431246.db2.gz YSUDCNPOKKYVBO-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000275911419 565432042 /nfs/dbraw/zinc/43/20/42/565432042.db2.gz LJJRVGMZDPTEMD-MRXNPFEDSA-N 0 1 383.564 3.109 20 0 GGADMN Cc1sc(Br)nc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000298884739 565433167 /nfs/dbraw/zinc/43/31/67/565433167.db2.gz HYZSCMZXNJSOLO-SNVBAGLBSA-N 0 1 396.314 3.229 20 0 GGADMN CC[C@H](C(=O)Nc1cc([O-])c(Br)cc1Br)[NH+](C)C ZINC000298898140 565433291 /nfs/dbraw/zinc/43/32/91/565433291.db2.gz KNJTXJLNZSWWKT-SNVBAGLBSA-N 0 1 380.080 3.196 20 0 GGADMN Cc1sc(Br)nc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000298884738 565433407 /nfs/dbraw/zinc/43/34/07/565433407.db2.gz HYZSCMZXNJSOLO-JTQLQIEISA-N 0 1 396.314 3.229 20 0 GGADMN O=C(NCCc1ccc(Cl)s1)NC1CCN(Cc2ccncc2)CC1 ZINC000298911963 565433900 /nfs/dbraw/zinc/43/39/00/565433900.db2.gz DSKQXKGVDFIMMG-UHFFFAOYSA-N 0 1 378.929 3.303 20 0 GGADMN CN(CCC(=O)N1CCc2ccccc2C1)Cc1ccc(Br)o1 ZINC000188942079 565434423 /nfs/dbraw/zinc/43/44/23/565434423.db2.gz UTZHFRDPNVXMIT-UHFFFAOYSA-N 0 1 377.282 3.449 20 0 GGADMN CC[C@H](C(=O)Nc1nc2ccc(I)cc2s1)N(C)C ZINC000188952836 565434972 /nfs/dbraw/zinc/43/49/72/565434972.db2.gz GYYSKTXJOQZQAS-SNVBAGLBSA-N 0 1 389.262 3.180 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000376518754 565439546 /nfs/dbraw/zinc/43/95/46/565439546.db2.gz OBJWXBKEXOMTTK-JQWIXIFHSA-N 0 1 377.290 3.175 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000376518754 565439551 /nfs/dbraw/zinc/43/95/51/565439551.db2.gz OBJWXBKEXOMTTK-JQWIXIFHSA-N 0 1 377.290 3.175 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(Br)cs3)n2)cc1 ZINC000171595517 565439641 /nfs/dbraw/zinc/43/96/41/565439641.db2.gz QZNLJMMSGZZYNA-UHFFFAOYSA-N 0 1 393.266 3.234 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cc(Br)cs3)n[nH]2)cc1 ZINC000171595517 565439646 /nfs/dbraw/zinc/43/96/46/565439646.db2.gz QZNLJMMSGZZYNA-UHFFFAOYSA-N 0 1 393.266 3.234 20 0 GGADMN CSCC[C@H](NCCOCC(F)(F)C(F)F)c1nnc2ccccn21 ZINC000276233501 565441539 /nfs/dbraw/zinc/44/15/39/565441539.db2.gz NPPOLCCBTIKXRA-NSHDSACASA-N 0 1 380.411 3.030 20 0 GGADMN O[C@@H](COc1ccccc1Cl)CN1CCN(CCc2cccs2)CC1 ZINC000299163890 565442110 /nfs/dbraw/zinc/44/21/10/565442110.db2.gz NFDUGLJXOKCMMM-MRXNPFEDSA-N 0 1 380.941 3.002 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000299256541 565444559 /nfs/dbraw/zinc/44/45/59/565444559.db2.gz FIYNYMLAWMCZCM-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000189123943 565444817 /nfs/dbraw/zinc/44/48/17/565444817.db2.gz XQJKBOLQCBNAJT-ZDUSSCGKSA-N 0 1 388.225 3.200 20 0 GGADMN O=S(=O)(CCN1CCC[C@H]1CN1CCCC1)c1cc(Cl)ccc1Cl ZINC000171707312 565445513 /nfs/dbraw/zinc/44/55/13/565445513.db2.gz ROFADBPZCTYYAV-HNNXBMFYSA-N 0 1 391.364 3.327 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000171699148 565445821 /nfs/dbraw/zinc/44/58/21/565445821.db2.gz GORITLPCMBGFSS-RYUDHWBXSA-N 0 1 391.318 3.129 20 0 GGADMN O=C(CCN[C@H](CCO)c1ccco1)Nc1ccc(Br)cc1F ZINC000299299355 565446139 /nfs/dbraw/zinc/44/61/39/565446139.db2.gz MTTXFAOAOUUVSL-CQSZACIVSA-N 0 1 385.233 3.223 20 0 GGADMN O=C(Cn1cc(Br)cn1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000299317476 565447060 /nfs/dbraw/zinc/44/70/60/565447060.db2.gz ZOYIYTUJVROKOB-AWEZNQCLSA-N 0 1 390.241 3.012 20 0 GGADMN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000171750907 565447829 /nfs/dbraw/zinc/44/78/29/565447829.db2.gz GCJILLJFKVGRRF-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000171750356 565447954 /nfs/dbraw/zinc/44/79/54/565447954.db2.gz FWIWUNQEADSMFX-AWEZNQCLSA-N 0 1 387.355 3.161 20 0 GGADMN Cc1cccc(C)c1OCCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758539 565448922 /nfs/dbraw/zinc/44/89/22/565448922.db2.gz QFUNNIAPXRUIHV-INIZCTEOSA-N 0 1 377.282 3.261 20 0 GGADMN CN(CC(=O)Nc1ccccc1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171772478 565448977 /nfs/dbraw/zinc/44/89/77/565448977.db2.gz LSZQEAIBYWVFPN-UHFFFAOYSA-N 0 1 387.237 3.036 20 0 GGADMN CCN(Cc1nn2c(nc(C)cc2=O)s1)Cc1cccc(Br)c1 ZINC000299410960 565449524 /nfs/dbraw/zinc/44/95/24/565449524.db2.gz ZUOLHJIOZWOKIP-UHFFFAOYSA-N 0 1 393.310 3.244 20 0 GGADMN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276519339 565452495 /nfs/dbraw/zinc/45/24/95/565452495.db2.gz GCNIMJNKBJPCIU-UHFFFAOYSA-N 0 1 382.507 3.101 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000171821473 565452646 /nfs/dbraw/zinc/45/26/46/565452646.db2.gz HPJSBMSKCKPUQE-AWEZNQCLSA-N 0 1 381.314 3.081 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@@H]3CCOCO3)n2)cc1Br ZINC000276550905 565453424 /nfs/dbraw/zinc/45/34/24/565453424.db2.gz FKVNGGAHJCMAHM-JTQLQIEISA-N 0 1 386.271 3.098 20 0 GGADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000376751161 565453612 /nfs/dbraw/zinc/45/36/12/565453612.db2.gz OCFUUIFIXDRFMD-WTANOLMUSA-N 0 1 386.293 3.050 20 0 GGADMN CC1(C)COCCN1CCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000171841373 565454314 /nfs/dbraw/zinc/45/43/14/565454314.db2.gz HJSIEHNNTYEYRE-UHFFFAOYSA-N 0 1 393.329 3.040 20 0 GGADMN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000189285981 565456712 /nfs/dbraw/zinc/45/67/12/565456712.db2.gz JWUMJUMMLTWNHR-UHFFFAOYSA-N 0 1 386.246 3.365 20 0 GGADMN CC[C@@]1(CO)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000189307447 565457635 /nfs/dbraw/zinc/45/76/35/565457635.db2.gz NFVGIENISAVALW-KRWDZBQOSA-N 0 1 378.270 3.216 20 0 GGADMN CCc1c(NC(=O)CSc2nnc(C)[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000276689607 565458249 /nfs/dbraw/zinc/45/82/49/565458249.db2.gz FOFAQZHLALCWIH-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN CCc1c(NC(=O)CSc2nc(C)n[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000276689607 565458252 /nfs/dbraw/zinc/45/82/52/565458252.db2.gz FOFAQZHLALCWIH-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000299690711 565458726 /nfs/dbraw/zinc/45/87/26/565458726.db2.gz UKPPKMLXCYQLPE-NSHDSACASA-N 0 1 384.249 3.136 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)Oc1ccc(C)cc1Br ZINC000299676367 565459526 /nfs/dbraw/zinc/45/95/26/565459526.db2.gz QHCFEIUKBGWSPF-ZDUSSCGKSA-N 0 1 380.286 3.305 20 0 GGADMN O=C(CCN1CCC(O)(C(F)(F)F)CC1)Nc1ccc(Br)cc1 ZINC000299729187 565459972 /nfs/dbraw/zinc/45/99/72/565459972.db2.gz WEGLYDBLWMGIJE-UHFFFAOYSA-N 0 1 395.219 3.167 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccccc1Br ZINC000171975373 565460744 /nfs/dbraw/zinc/46/07/44/565460744.db2.gz CCYHQIDYMXYBJG-CYBMUJFWSA-N 0 1 383.311 3.078 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000300545667 565461024 /nfs/dbraw/zinc/46/10/24/565461024.db2.gz WLQQRAPYVWWODA-GFCCVEGCSA-N 0 1 395.750 3.207 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2sccc2Br)n[nH]1 ZINC000276799625 565461260 /nfs/dbraw/zinc/46/12/60/565461260.db2.gz GFUAMNZCEPLXMH-SFYZADRCSA-N 0 1 393.332 3.182 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000276787538 565461500 /nfs/dbraw/zinc/46/15/00/565461500.db2.gz BDBZRPQDGLNVFN-BDAKNGLRSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2nnc(CC(F)(F)F)s2)n[nH]1 ZINC000276793721 565461534 /nfs/dbraw/zinc/46/15/34/565461534.db2.gz FQGAPFORFNYRDS-RNFRBKRXSA-N 0 1 377.396 3.157 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276887762 565465532 /nfs/dbraw/zinc/46/55/32/565465532.db2.gz NFOWSPULSFIMQC-HTQZYQBOSA-N 0 1 376.408 3.354 20 0 GGADMN CCN(CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)C(F)(F)F ZINC000189443373 565466684 /nfs/dbraw/zinc/46/66/84/565466684.db2.gz JWZISBFZTOGCAJ-GFCCVEGCSA-N 0 1 383.208 3.023 20 0 GGADMN C[C@@H](NCCOc1cc(F)cc(Br)c1)c1nnc2ccccn21 ZINC000189440432 565466165 /nfs/dbraw/zinc/46/61/65/565466165.db2.gz XXQSKDIZLBGEEC-LLVKDONJSA-N 0 1 379.233 3.361 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172110301 565466407 /nfs/dbraw/zinc/46/64/07/565466407.db2.gz WRRLASVJGFXADE-UHFFFAOYSA-N 0 1 382.869 3.328 20 0 GGADMN C[C@H](CS(C)(=O)=O)NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000172121883 565466828 /nfs/dbraw/zinc/46/68/28/565466828.db2.gz JXZZLCLQJCLVHX-BXKDBHETSA-N 0 1 393.349 3.081 20 0 GGADMN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172111794 565467071 /nfs/dbraw/zinc/46/70/71/565467071.db2.gz XBYRPHJHZFXVMT-UHFFFAOYSA-N 0 1 382.869 3.328 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000172111180 565467220 /nfs/dbraw/zinc/46/72/20/565467220.db2.gz MKQRIEVEJSUYLB-UHFFFAOYSA-N 0 1 386.882 3.144 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172111148 565467404 /nfs/dbraw/zinc/46/74/04/565467404.db2.gz FKZRSVBXGSPXBJ-UHFFFAOYSA-N 0 1 382.869 3.327 20 0 GGADMN CCOC(=O)c1csc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)n1 ZINC000189472662 565467888 /nfs/dbraw/zinc/46/78/88/565467888.db2.gz ZGQKWKPWUQHEPC-UHFFFAOYSA-N 0 1 396.881 3.355 20 0 GGADMN CCc1c(NC(=O)[C@@H](C)n2cncn2)[nH]nc1-c1ccc(Br)cc1 ZINC000172141849 565468268 /nfs/dbraw/zinc/46/82/68/565468268.db2.gz 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C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000277138550 565478887 /nfs/dbraw/zinc/47/88/87/565478887.db2.gz PAXHPXIATGLIFR-DAOPMYJZSA-N 0 1 385.938 3.332 20 0 GGADMN C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000277145372 565479158 /nfs/dbraw/zinc/47/91/58/565479158.db2.gz PUGWPLVLPOSKKS-LBPRGKRZSA-N 0 1 381.881 3.366 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc([C@@H]4C[C@]45CCOC5)n3)n2)c1 ZINC000377462961 565481497 /nfs/dbraw/zinc/48/14/97/565481497.db2.gz KZNQRBVRQWOKTB-ZBEGNZNMSA-N 0 1 388.225 3.178 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1O)S(=O)(=O)c1ccc(Cl)s1 ZINC000172357292 565481679 /nfs/dbraw/zinc/48/16/79/565481679.db2.gz RPQVHPIIVBHOAF-UHFFFAOYSA-N 0 1 395.289 3.020 20 0 GGADMN COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(Br)c1 ZINC000377546499 565485106 /nfs/dbraw/zinc/48/51/06/565485106.db2.gz AOLCELFHNSXOTI-QAPCUYQASA-N 0 1 394.313 3.279 20 0 GGADMN CN1C(=O)N([C@H]2CCCc3cn[nH]c32)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000277264734 565485818 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GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N[C@H]2CCCSC2)nc1 ZINC000301588859 565497478 /nfs/dbraw/zinc/49/74/78/565497478.db2.gz WZHYVWRPHNTUPI-ZDUSSCGKSA-N 0 1 385.461 3.468 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189953137 565497925 /nfs/dbraw/zinc/49/79/25/565497925.db2.gz IVSNBQOHUFYLOV-STQMWFEESA-N 0 1 388.339 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189948991 565498572 /nfs/dbraw/zinc/49/85/72/565498572.db2.gz ZWKJJYQLFYFFLW-OLZOCXBDSA-N 0 1 388.339 3.097 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC[C@H]2CCCS2)nc1 ZINC000301608000 565498916 /nfs/dbraw/zinc/49/89/16/565498916.db2.gz OGICSIASCWTOTA-CQSZACIVSA-N 0 1 385.461 3.468 20 0 GGADMN O=C(Nc1nnc(SCc2cccs2)s1)c1noc2c1COCC2 ZINC000623185376 565499404 /nfs/dbraw/zinc/49/94/04/565499404.db2.gz CEBFLEHEWIMSRO-UHFFFAOYSA-N 0 1 380.476 3.205 20 0 GGADMN Cn1cncc1CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000377796073 565499657 /nfs/dbraw/zinc/49/96/57/565499657.db2.gz 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565510757 /nfs/dbraw/zinc/51/07/57/565510757.db2.gz PVAGGNQBFOFNSW-UHFFFAOYSA-N 0 1 380.832 3.477 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172892235 565510954 /nfs/dbraw/zinc/51/09/54/565510954.db2.gz YIBLDZOAPKFJBO-ZDUSSCGKSA-N 0 1 380.897 3.341 20 0 GGADMN O=C(CCC1CCOCC1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000172900401 565512466 /nfs/dbraw/zinc/51/24/66/565512466.db2.gz JLOOPQXGJCHATM-UHFFFAOYSA-N 0 1 379.258 3.380 20 0 GGADMN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000190207990 565516318 /nfs/dbraw/zinc/51/63/18/565516318.db2.gz DSXYWTYPQBUBHD-UHFFFAOYSA-N 0 1 377.224 3.293 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cnc(Cl)c(F)c2)ccc1C(=O)NC(C)C ZINC000277730934 565516388 /nfs/dbraw/zinc/51/63/88/565516388.db2.gz SXRGBPQFUDVZRD-UHFFFAOYSA-N 0 1 385.848 3.122 20 0 GGADMN Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)ccc21 ZINC000190284101 565519615 /nfs/dbraw/zinc/51/96/15/565519615.db2.gz MYJFFVZEMWETAN-UHFFFAOYSA-N 0 1 391.207 3.378 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cccc(Br)c3C)CC2)c1 ZINC000173077587 565524577 /nfs/dbraw/zinc/52/45/77/565524577.db2.gz CKMVVGZUYIOXJP-UHFFFAOYSA-N 0 1 390.281 3.124 20 0 GGADMN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000382459116 565543106 /nfs/dbraw/zinc/54/31/06/565543106.db2.gz WXWPBDVEKPEIJW-ZETCQYMHSA-N 0 1 390.130 3.162 20 0 GGADMN CN(CCc1cnccn1)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000378419910 565526289 /nfs/dbraw/zinc/52/62/89/565526289.db2.gz TYGMIAJYQALXKL-UHFFFAOYSA-N 0 1 384.281 3.371 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000173106361 565527813 /nfs/dbraw/zinc/52/78/13/565527813.db2.gz OUEDNFXDQPIGTE-UHFFFAOYSA-N 0 1 380.275 3.335 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190409865 565529828 /nfs/dbraw/zinc/52/98/28/565529828.db2.gz LOTDUYXZCXEFRR-WDEREUQCSA-N 0 1 390.286 3.308 20 0 GGADMN Cc1nc(CN2CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)n[nH]1 ZINC000302129271 565531728 /nfs/dbraw/zinc/53/17/28/565531728.db2.gz GFZSPVYLLGCJQF-UHFFFAOYSA-N 0 1 377.279 3.290 20 0 GGADMN O=c1[nH]c(CC(F)(F)F)c(O)n1-c1ccc(N2CCSCC2)c(Cl)c1 ZINC000278002795 565533452 /nfs/dbraw/zinc/53/34/52/565533452.db2.gz FYARTBBXZWVGEF-LLVKDONJSA-N 0 1 393.818 3.270 20 0 GGADMN Cc1nc(CN2CCN(c3ccc4ccc(Cl)c(Cl)c4n3)CC2)n[nH]1 ZINC000302165313 565533958 /nfs/dbraw/zinc/53/39/58/565533958.db2.gz OPLHUVODIVHEJP-UHFFFAOYSA-N 0 1 377.279 3.290 20 0 GGADMN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)s3)C2)CC1 ZINC000302178974 565535011 /nfs/dbraw/zinc/53/50/11/565535011.db2.gz YMBJBEDTDFVJIE-AWEZNQCLSA-N 0 1 377.945 3.075 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)[nH]1 ZINC000173185967 565535148 /nfs/dbraw/zinc/53/51/48/565535148.db2.gz KNXXGFIATXRWQR-ZDUSSCGKSA-N 0 1 379.917 3.034 20 0 GGADMN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)s3)C2)CC1 ZINC000302178975 565535234 /nfs/dbraw/zinc/53/52/34/565535234.db2.gz YMBJBEDTDFVJIE-CQSZACIVSA-N 0 1 377.945 3.075 20 0 GGADMN Nc1nc(NCc2cc3cc(Br)ccc3[nH]2)cc(-n2cccn2)n1 ZINC000302192609 565536358 /nfs/dbraw/zinc/53/63/58/565536358.db2.gz CAHDJHBEUXAJNE-UHFFFAOYSA-N 0 1 384.241 3.100 20 0 GGADMN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000173204010 565536402 /nfs/dbraw/zinc/53/64/02/565536402.db2.gz SDCPHZXNQCKSNO-SNVBAGLBSA-N 0 1 388.225 3.035 20 0 GGADMN CCc1nc([C@H]2CN(c3cnc4cc(Cl)c(Cl)cc4n3)CCO2)n[nH]1 ZINC000302204113 565536935 /nfs/dbraw/zinc/53/69/35/565536935.db2.gz WFDOSAORQFKZQL-CYBMUJFWSA-N 0 1 379.251 3.195 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000190497363 565536962 /nfs/dbraw/zinc/53/69/62/565536962.db2.gz FWAFUZRDFVCXEK-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN C[C@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000173209856 565537518 /nfs/dbraw/zinc/53/75/18/565537518.db2.gz XLVQOBDEVZNJTE-UPJWGTAASA-N 0 1 389.359 3.230 20 0 GGADMN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000382459115 565542514 /nfs/dbraw/zinc/54/25/14/565542514.db2.gz WXWPBDVEKPEIJW-SSDOTTSWSA-N 0 1 390.130 3.162 20 0 GGADMN OC[C@@H](NCc1ncc(Br)cc1Br)C1CCCC1 ZINC000386075301 565546943 /nfs/dbraw/zinc/54/69/43/565546943.db2.gz DGIOJPPHDUCSMG-CYBMUJFWSA-N 0 1 378.108 3.247 20 0 GGADMN CCOC[C@@H](O)CN[C@H](C)c1ccc(Br)cc1Br ZINC000386442970 565548033 /nfs/dbraw/zinc/54/80/33/565548033.db2.gz QDGINDBZGYOKOA-KOLCDFICSA-N 0 1 381.108 3.260 20 0 GGADMN COc1ccc(-c2n[nH]c(Sc3nccc(C)n3)n2)cc1Br ZINC000302701226 565551076 /nfs/dbraw/zinc/55/10/76/565551076.db2.gz UVZUSYPINYGLSV-UHFFFAOYSA-N 0 1 378.255 3.492 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000173356350 565551289 /nfs/dbraw/zinc/55/12/89/565551289.db2.gz IGKZIOWFWGSCON-HNNXBMFYSA-N 0 1 398.345 3.016 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H](C)c2cccc(Br)c2)cc1 ZINC000173352694 565551376 /nfs/dbraw/zinc/55/13/76/565551376.db2.gz NNZPCYDZMDMTKR-CYBMUJFWSA-N 0 1 377.282 3.425 20 0 GGADMN CN1CCN(c2ncccc2CNc2ncc(Br)cc2Cl)CC1 ZINC000302718583 565551756 /nfs/dbraw/zinc/55/17/56/565551756.db2.gz GULAQPDQHOLWTI-UHFFFAOYSA-N 0 1 396.720 3.256 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1cccc(Br)c1 ZINC000173355938 565551841 /nfs/dbraw/zinc/55/18/41/565551841.db2.gz MUTHRPROXJJJTG-CQSZACIVSA-N 0 1 397.338 3.219 20 0 GGADMN COc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000173358037 565551946 /nfs/dbraw/zinc/55/19/46/565551946.db2.gz PHNRLHLVZRPNBZ-ZDUSSCGKSA-N 0 1 383.897 3.482 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)c(Br)c1 ZINC000389407011 565553511 /nfs/dbraw/zinc/55/35/11/565553511.db2.gz KIABDQCKBFGEFL-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1Br ZINC000278369224 565554278 /nfs/dbraw/zinc/55/42/78/565554278.db2.gz GCYDGUISALYOBE-ZDUSSCGKSA-N 0 1 399.304 3.222 20 0 GGADMN Cc1csc(C(C)(C)NC[C@H](O)COc2ccc(Br)cc2)n1 ZINC000173425235 565556323 /nfs/dbraw/zinc/55/63/23/565556323.db2.gz SJJOSOUWTPEXGK-ZDUSSCGKSA-N 0 1 385.327 3.479 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccccc1Br ZINC000390733277 565557306 /nfs/dbraw/zinc/55/73/06/565557306.db2.gz ZITQVQUUIJMBCS-CQSZACIVSA-N 0 1 397.338 3.248 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1)N(C)Cc1ccccc1 ZINC000390806163 565558020 /nfs/dbraw/zinc/55/80/20/565558020.db2.gz JFOBZZFBDMXPHG-AWEZNQCLSA-N 0 1 397.338 3.248 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000391251741 565559743 /nfs/dbraw/zinc/55/97/43/565559743.db2.gz PITVGXBLXVDUNW-KRWDZBQOSA-N 0 1 381.314 3.084 20 0 GGADMN CN(Cc1cc(Br)cn1C)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302872558 565562013 /nfs/dbraw/zinc/56/20/13/565562013.db2.gz CMJKRCQINJBREL-UHFFFAOYSA-N 0 1 389.179 3.109 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000391879748 565562962 /nfs/dbraw/zinc/56/29/62/565562962.db2.gz SFYFNBCMRHLTEW-MRXNPFEDSA-N 0 1 398.345 3.158 20 0 GGADMN CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1Cl ZINC000190833745 565563127 /nfs/dbraw/zinc/56/31/27/565563127.db2.gz LXFWGYRVVFIVID-UHFFFAOYSA-N 0 1 398.264 3.337 20 0 GGADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000392227246 565564079 /nfs/dbraw/zinc/56/40/79/565564079.db2.gz PAXRZIQULZIUAS-UHFFFAOYSA-N 0 1 397.762 3.059 20 0 GGADMN COc1cc(Br)ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000302926047 565565119 /nfs/dbraw/zinc/56/51/19/565565119.db2.gz PRDZMYRVTPBERQ-MRXNPFEDSA-N 0 1 389.293 3.462 20 0 GGADMN CC(C)(C)n1cc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000190866272 565565570 /nfs/dbraw/zinc/56/55/70/565565570.db2.gz AAKCGPRRAQTXGD-AWEZNQCLSA-N 0 1 392.345 3.412 20 0 GGADMN O=S(=O)(NCc1ccc(Br)c(F)c1)c1c(F)cccc1F ZINC000302991463 565566121 /nfs/dbraw/zinc/56/61/21/565566121.db2.gz MOLOUUYGYDFOHF-UHFFFAOYSA-N 0 1 380.185 3.345 20 0 GGADMN Cc1ncc([C@@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(C)n1 ZINC000278551060 565566333 /nfs/dbraw/zinc/56/63/33/565566333.db2.gz VUIQCRJLHWJFCC-SJKOYZFVSA-N 0 1 389.297 3.312 20 0 GGADMN Cc1csc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1Br ZINC000190891712 565567951 /nfs/dbraw/zinc/56/79/51/565567951.db2.gz NAZWPARYCPOXPV-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN C[C@H]1C[N@H+](Cc2c(Br)cncc2Br)CC[C@@H]1C(=O)[O-] ZINC000394010881 565570012 /nfs/dbraw/zinc/57/00/12/565570012.db2.gz AJLYBJQBTGVZMO-IUCAKERBSA-N 0 1 392.091 3.149 20 0 GGADMN C[C@H]1C[N@@H+](Cc2c(Br)cncc2Br)CC[C@@H]1C(=O)[O-] ZINC000394010881 565570016 /nfs/dbraw/zinc/57/00/16/565570016.db2.gz AJLYBJQBTGVZMO-IUCAKERBSA-N 0 1 392.091 3.149 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000173625235 565570274 /nfs/dbraw/zinc/57/02/74/565570274.db2.gz DXPIABCRXOHLTO-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN COC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000303580577 565570905 /nfs/dbraw/zinc/57/09/05/565570905.db2.gz QXZJSOZRRWSTML-UWVGGRQHSA-N 0 1 380.794 3.427 20 0 GGADMN C[C@@H]1CCC[C@]1(O)CNCc1c(Br)cncc1Br ZINC000394532656 565571249 /nfs/dbraw/zinc/57/12/49/565571249.db2.gz PPXVRRGCPNDCIF-RNCFNFMXSA-N 0 1 378.108 3.247 20 0 GGADMN CCC(CC)(CO)CNCc1c(Br)cncc1Br ZINC000394590654 565571929 /nfs/dbraw/zinc/57/19/29/565571929.db2.gz YBSMDKWKFWDLSV-UHFFFAOYSA-N 0 1 380.124 3.495 20 0 GGADMN CC(C)NC(=O)[C@@H](C)NCc1cc(Br)cc(Br)c1 ZINC000394597796 565572624 /nfs/dbraw/zinc/57/26/24/565572624.db2.gz CMVVOTZYAVDUEU-SECBINFHSA-N 0 1 378.108 3.214 20 0 GGADMN CC1(C)C[C@H](O)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000395354917 565573575 /nfs/dbraw/zinc/57/35/75/565573575.db2.gz KDHARVARVQLMCI-CQSZACIVSA-N 0 1 380.286 3.482 20 0 GGADMN CC1(C)C[C@H](O)CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000395354917 565573581 /nfs/dbraw/zinc/57/35/81/565573581.db2.gz KDHARVARVQLMCI-CQSZACIVSA-N 0 1 380.286 3.482 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000303715821 565573762 /nfs/dbraw/zinc/57/37/62/565573762.db2.gz AAKKKLIONCFIRS-WFASDCNBSA-N 0 1 387.293 3.154 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000303745123 565574131 /nfs/dbraw/zinc/57/41/31/565574131.db2.gz JQDSTSUMPQCCHD-INIZCTEOSA-N 0 1 382.277 3.482 20 0 GGADMN CCOCCCNC(=O)[C@H](C)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000303859739 565575326 /nfs/dbraw/zinc/57/53/26/565575326.db2.gz MHBZXGJDTAJRHJ-HNNXBMFYSA-N 0 1 397.357 3.344 20 0 GGADMN COC[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000278749582 565575423 /nfs/dbraw/zinc/57/54/23/565575423.db2.gz AROGSRHRDOFZGC-IAGOWNOFSA-N 0 1 392.297 3.190 20 0 GGADMN C[C@@H]1CN(C(=O)CN(C)CC2(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000303917498 565575474 /nfs/dbraw/zinc/57/54/74/565575474.db2.gz SVOAVFLRRKQPBQ-HUUCEWRRSA-N 0 1 395.341 3.048 20 0 GGADMN Cc1sc(Br)nc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000278739643 565575446 /nfs/dbraw/zinc/57/54/46/565575446.db2.gz DQPYRXQBGKFDNX-UHFFFAOYSA-N 0 1 395.326 3.003 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000191029701 565578567 /nfs/dbraw/zinc/57/85/67/565578567.db2.gz MSOOLBJITQMGBG-MRXNPFEDSA-N 0 1 392.359 3.019 20 0 GGADMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000399841575 565578922 /nfs/dbraw/zinc/57/89/22/565578922.db2.gz CGRJNAFWWDIXHP-DCXZOGHSSA-N 0 1 399.148 3.116 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1cc(C(F)(F)F)ccc1Br)C2 ZINC000398879648 565579461 /nfs/dbraw/zinc/57/94/61/565579461.db2.gz YLNXJRDFRLZCAC-UHFFFAOYSA-N 0 1 377.204 3.246 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000173734713 565580238 /nfs/dbraw/zinc/58/02/38/565580238.db2.gz VGWGDNLLPSBXPJ-GFCCVEGCSA-N 0 1 376.448 3.350 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000173734341 565580298 /nfs/dbraw/zinc/58/02/98/565580298.db2.gz YNOYZYRYRDTUMT-KBPBESRZSA-N 0 1 389.323 3.156 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000191091646 565582032 /nfs/dbraw/zinc/58/20/32/565582032.db2.gz LGNITVWCJCJIEJ-UHFFFAOYSA-N 0 1 382.507 3.327 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1)C1CC1 ZINC000191085092 565582134 /nfs/dbraw/zinc/58/21/34/565582134.db2.gz JPSSVSPMVKBLGS-CYBMUJFWSA-N 0 1 380.330 3.181 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Br)s1 ZINC000173750841 565582368 /nfs/dbraw/zinc/58/23/68/565582368.db2.gz FQSZMYUSEOXYGK-QMMMGPOBSA-N 0 1 378.255 3.433 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000173750711 565583088 /nfs/dbraw/zinc/58/30/88/565583088.db2.gz JODVODVVOKEURN-UHFFFAOYSA-N 0 1 375.230 3.264 20 0 GGADMN COc1ccc(Br)cc1C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313342136 565584190 /nfs/dbraw/zinc/58/41/90/565584190.db2.gz DVSNAMXEGJZJTO-MRXNPFEDSA-N 0 1 375.266 3.244 20 0 GGADMN CCOC(=O)C1CCC(O)(CN[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000278922396 565584953 /nfs/dbraw/zinc/58/49/53/565584953.db2.gz LSIZOLRNXAJQTC-RWWNRMGGSA-N 0 1 380.432 3.297 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405273985 565585273 /nfs/dbraw/zinc/58/52/73/565585273.db2.gz WOCKWHPHWGLBLI-UHFFFAOYSA-N 0 1 379.625 3.241 20 0 GGADMN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1n[nH]c2ccc(Br)cc21 ZINC000173775731 565585319 /nfs/dbraw/zinc/58/53/19/565585319.db2.gz IOTVIKHEEFWQQD-HUUCEWRRSA-N 0 1 388.269 3.436 20 0 GGADMN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1n[nH]c2ccc(Br)cc21 ZINC000173775720 565585408 /nfs/dbraw/zinc/58/54/08/565585408.db2.gz IOTVIKHEEFWQQD-GJZGRUSLSA-N 0 1 388.269 3.436 20 0 GGADMN C[C@H](CC[S@](C)=O)NCc1cc(Cl)ccc1I ZINC000405291330 565585815 /nfs/dbraw/zinc/58/58/15/565585815.db2.gz HNLIWMXLJYWGMM-XLFHBGCDSA-N 0 1 385.698 3.191 20 0 GGADMN CC(C)(C)NC(=O)CCNCc1cc(Cl)ccc1I ZINC000405772448 565586754 /nfs/dbraw/zinc/58/67/54/565586754.db2.gz KKQVCBRGQXHDKE-UHFFFAOYSA-N 0 1 394.684 3.339 20 0 GGADMN FC(F)COCCNCc1cc(Cl)ccc1I ZINC000405341110 565587133 /nfs/dbraw/zinc/58/71/33/565587133.db2.gz MZCXTKVYQFKNGG-UHFFFAOYSA-N 0 1 375.584 3.316 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278958944 565587706 /nfs/dbraw/zinc/58/77/06/565587706.db2.gz ZTXIPXBZFIMUTD-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN O=S(=O)(Nc1ccccc1N1CCCC1)c1cncc(Br)c1 ZINC000314783285 565587832 /nfs/dbraw/zinc/58/78/32/565587832.db2.gz IVUASRMEXYSRCQ-UHFFFAOYSA-N 0 1 382.283 3.245 20 0 GGADMN CN(Cc1cnc[nH]1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191806 565588105 /nfs/dbraw/zinc/58/81/05/565588105.db2.gz REXKFEQEPKBZTJ-OAHLLOKOSA-N 0 1 380.286 3.362 20 0 GGADMN O=S(=O)(Nc1ccc(-c2cnco2)cc1)c1cncc(Br)c1 ZINC000315253443 565588456 /nfs/dbraw/zinc/58/84/56/565588456.db2.gz CNOHRTBETAJGAF-UHFFFAOYSA-N 0 1 380.223 3.300 20 0 GGADMN CCOc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1OC ZINC000314861325 565589230 /nfs/dbraw/zinc/58/92/30/565589230.db2.gz WBAGTHNEVNZMLW-UHFFFAOYSA-N 0 1 387.255 3.052 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)cc1Br ZINC000407998491 565589735 /nfs/dbraw/zinc/58/97/35/565589735.db2.gz QTFATJOLHDHUPZ-NSHDSACASA-N 0 1 380.242 3.174 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C)cc1Br ZINC000407998491 565589739 /nfs/dbraw/zinc/58/97/39/565589739.db2.gz QTFATJOLHDHUPZ-NSHDSACASA-N 0 1 380.242 3.174 20 0 GGADMN COc1ccc(Br)c(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000315917671 565590372 /nfs/dbraw/zinc/59/03/72/565590372.db2.gz PGEFTULQHSOLNO-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000315917671 565590375 /nfs/dbraw/zinc/59/03/75/565590375.db2.gz PGEFTULQHSOLNO-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN NC(=O)COc1cccc(CNCc2cc(Br)c(Cl)s2)c1 ZINC000191224056 565590443 /nfs/dbraw/zinc/59/04/43/565590443.db2.gz MMMCZPIMEMLJHH-UHFFFAOYSA-N 0 1 389.702 3.318 20 0 GGADMN Cc1[nH]ncc1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000173826435 565590957 /nfs/dbraw/zinc/59/09/57/565590957.db2.gz WTIULYPPYSZXOJ-UHFFFAOYSA-N 0 1 379.283 3.339 20 0 GGADMN O=S(=O)(Nc1cccnc1N1CCCC1)c1cccc(Br)c1 ZINC000316027909 565591504 /nfs/dbraw/zinc/59/15/04/565591504.db2.gz FPTZHFZSQLQBSI-UHFFFAOYSA-N 0 1 382.283 3.245 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000191280355 565593169 /nfs/dbraw/zinc/59/31/69/565593169.db2.gz XTHMCTOPOFKUQW-NSHDSACASA-N 0 1 390.311 3.311 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000191280355 565593172 /nfs/dbraw/zinc/59/31/72/565593172.db2.gz XTHMCTOPOFKUQW-NSHDSACASA-N 0 1 390.311 3.311 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1=O)c1c(O)cc(Cl)cc1Cl ZINC000191292876 565594675 /nfs/dbraw/zinc/59/46/75/565594675.db2.gz APPXSXWCSYQCOJ-UHFFFAOYSA-N 0 1 379.243 3.127 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+](CC2CCCC2)C1)c1sccc1Br ZINC000173867154 565594796 /nfs/dbraw/zinc/59/47/96/565594796.db2.gz DKBBRVJGVZZHRF-LBPRGKRZSA-N 0 1 393.372 3.053 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+](CC2CCCC2)C1)c1sccc1Br ZINC000173867154 565594800 /nfs/dbraw/zinc/59/48/00/565594800.db2.gz DKBBRVJGVZZHRF-LBPRGKRZSA-N 0 1 393.372 3.053 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000191288188 565594776 /nfs/dbraw/zinc/59/47/76/565594776.db2.gz XRWOSXYDEWTSPO-UHFFFAOYSA-N 0 1 388.295 3.331 20 0 GGADMN Cc1nnc(SCCC(=O)N(C)Cc2cc(Br)ccc2F)[nH]1 ZINC000173872888 565595867 /nfs/dbraw/zinc/59/58/67/565595867.db2.gz YKUJGDNMVBHLLI-UHFFFAOYSA-N 0 1 387.278 3.156 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3cnn(C)c3)n2)cc1Br ZINC000191318390 565595958 /nfs/dbraw/zinc/59/59/58/565595958.db2.gz XIIIXQADABFSBG-UHFFFAOYSA-N 0 1 380.271 3.269 20 0 GGADMN COC(=O)CCCSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191309624 565596084 /nfs/dbraw/zinc/59/60/84/565596084.db2.gz WILYIVNLKQGQES-UHFFFAOYSA-N 0 1 386.271 3.288 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2NCc1cc(Br)ccc1Cl ZINC000318488460 565597236 /nfs/dbraw/zinc/59/72/36/565597236.db2.gz LPVQMCFPIZLMHP-OAHLLOKOSA-N 0 1 384.705 3.459 20 0 GGADMN CC(C)NC(=O)[C@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318954670 565597887 /nfs/dbraw/zinc/59/78/87/565597887.db2.gz BOLZJFAZWJPTEQ-VIFPVBQESA-N 0 1 383.208 3.350 20 0 GGADMN O=C1NCCCC[C@@H]1NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000319251873 565598050 /nfs/dbraw/zinc/59/80/50/565598050.db2.gz YHCKXDRPFNEHGP-NSHDSACASA-N 0 1 381.192 3.106 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccccc3Br)CC2)n[nH]1 ZINC000408177918 565598370 /nfs/dbraw/zinc/59/83/70/565598370.db2.gz NSRLOERNQOFDSK-UHFFFAOYSA-N 0 1 384.299 3.049 20 0 GGADMN O=S(=O)([N-]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)o1 ZINC000408213078 565599012 /nfs/dbraw/zinc/59/90/12/565599012.db2.gz CMULVYDMYPKRKO-UHFFFAOYSA-N 0 1 391.331 3.118 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(Br)c1 ZINC000319420688 565599299 /nfs/dbraw/zinc/59/92/99/565599299.db2.gz OPIOKMAQYICZON-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(Br)c1 ZINC000319420688 565599301 /nfs/dbraw/zinc/59/93/01/565599301.db2.gz OPIOKMAQYICZON-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cnn(C(C)C)c2C)c(C)s1 ZINC000191385987 565600178 /nfs/dbraw/zinc/60/01/78/565600178.db2.gz NKLHGQBHFXBHTK-CYBMUJFWSA-N 0 1 384.571 3.080 20 0 GGADMN Clc1sc(CN2CCN(C3CCOCC3)CC2)cc1Br ZINC000191389202 565600463 /nfs/dbraw/zinc/60/04/63/565600463.db2.gz GBCAFKYFZKZWRE-UHFFFAOYSA-N 0 1 379.751 3.461 20 0 GGADMN CC[C@@H]1CN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCS1 ZINC000173933199 565601072 /nfs/dbraw/zinc/60/10/72/565601072.db2.gz HLVHZAAAWZAHRG-GOSISDBHSA-N 0 1 379.595 3.001 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1Br ZINC000408272224 565602064 /nfs/dbraw/zinc/60/20/64/565602064.db2.gz ZZFRGGOMRSGUBB-SFHVURJKSA-N 0 1 390.281 3.049 20 0 GGADMN Cc1csc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1Br ZINC000191426387 565602744 /nfs/dbraw/zinc/60/27/44/565602744.db2.gz IDUARGWCLXWCEG-UHFFFAOYSA-N 0 1 396.310 3.232 20 0 GGADMN Clc1sc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1Br ZINC000191424639 565602749 /nfs/dbraw/zinc/60/27/49/565602749.db2.gz WZQULZWNFUFLBS-NSHDSACASA-N 0 1 379.751 3.318 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000320604028 565602851 /nfs/dbraw/zinc/60/28/51/565602851.db2.gz YLMBUTRWTCLOIG-MRXNPFEDSA-N 0 1 380.242 3.186 20 0 GGADMN C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000408306609 565603072 /nfs/dbraw/zinc/60/30/72/565603072.db2.gz QTXDNMPCNWZDTR-QMMMGPOBSA-N 0 1 375.650 3.005 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(Br)cc3C)CC2)n[nH]1 ZINC000408289466 565603190 /nfs/dbraw/zinc/60/31/90/565603190.db2.gz GBXCGURGBNLZTN-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN COc1ccc(CCCN[C@H](C(N)=O)c2ccc(Br)cc2F)cc1 ZINC000173984246 565604242 /nfs/dbraw/zinc/60/42/42/565604242.db2.gz RBZJDJPIJSUQEF-KRWDZBQOSA-N 0 1 395.272 3.346 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000320991862 565604407 /nfs/dbraw/zinc/60/44/07/565604407.db2.gz MGOPCMNIXQNSBJ-INIZCTEOSA-N 0 1 381.314 3.084 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000321033030 565604442 /nfs/dbraw/zinc/60/44/42/565604442.db2.gz QSRFOTHXCJUWGD-CYBMUJFWSA-N 0 1 384.270 3.440 20 0 GGADMN COc1ccc(Br)cc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000321101812 565604509 /nfs/dbraw/zinc/60/45/09/565604509.db2.gz MMZQATJMKRQYHI-MRXNPFEDSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(Br)cc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000321101812 565604511 /nfs/dbraw/zinc/60/45/11/565604511.db2.gz MMZQATJMKRQYHI-MRXNPFEDSA-N 0 1 376.250 3.469 20 0 GGADMN CCNC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1C ZINC000279267544 565605340 /nfs/dbraw/zinc/60/53/40/565605340.db2.gz JBSPYMLEZGVUOY-UHFFFAOYSA-N 0 1 383.524 3.007 20 0 GGADMN O=S(=O)(NCCc1nc(C(F)(F)F)cs1)c1c(F)cc(F)cc1F ZINC000174031124 565608335 /nfs/dbraw/zinc/60/83/35/565608335.db2.gz SWMUACLASAWFAJ-UHFFFAOYSA-N 0 1 390.330 3.100 20 0 GGADMN C[C@@H](NS(=O)(=O)c1sccc1Br)c1nc(C(C)(C)C)no1 ZINC000174038587 565608871 /nfs/dbraw/zinc/60/88/71/565608871.db2.gz DUFPXVNYYJAKQF-SSDOTTSWSA-N 0 1 394.316 3.231 20 0 GGADMN C[C@H](NS(=O)(=O)c1sccc1Br)c1nc(C(C)(C)C)no1 ZINC000174038575 565609181 /nfs/dbraw/zinc/60/91/81/565609181.db2.gz DUFPXVNYYJAKQF-ZETCQYMHSA-N 0 1 394.316 3.231 20 0 GGADMN NC(=O)[C@@H](NC[C@H]1CCOc2ccccc21)c1ccc(Br)cc1F ZINC000174072427 565610422 /nfs/dbraw/zinc/61/04/22/565610422.db2.gz QYDYCXGCFJKFIQ-DIFFPNOSSA-N 0 1 393.256 3.271 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1nnnn1C1CC1 ZINC000191528554 565610653 /nfs/dbraw/zinc/61/06/53/565610653.db2.gz HUFANACJOUSIIX-MRVPVSSYSA-N 0 1 392.286 3.409 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000408466712 565610999 /nfs/dbraw/zinc/61/09/99/565610999.db2.gz JPYXLTCCVBYNMT-NSHDSACASA-N 0 1 380.242 3.174 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H]3CCc4c3ccc(Cl)c4Cl)C2=O)n(C)n1 ZINC000174091274 565612520 /nfs/dbraw/zinc/61/25/20/565612520.db2.gz RUDSLQHURFQOFB-GJZGRUSLSA-N 0 1 379.291 3.418 20 0 GGADMN C[C@@H]1OCC[C@]12CN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)C[C@@H](C)O2 ZINC000279453899 565613260 /nfs/dbraw/zinc/61/32/60/565613260.db2.gz VSPFWTOTPIMPFJ-RLFDGXBXSA-N 0 1 381.885 3.200 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)C[C@@H](C)O2 ZINC000279453902 565613390 /nfs/dbraw/zinc/61/33/90/565613390.db2.gz VSPFWTOTPIMPFJ-VGTOOOLASA-N 0 1 381.885 3.200 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCc2cc(Br)ccc2C1 ZINC000191564827 565613831 /nfs/dbraw/zinc/61/38/31/565613831.db2.gz NJWXCYJOYREYRA-UHFFFAOYSA-N 0 1 383.245 3.489 20 0 GGADMN COCCN(CC(=O)Nc1c(F)cc(F)cc1Br)CC(C)C ZINC000174115523 565614364 /nfs/dbraw/zinc/61/43/64/565614364.db2.gz QGEIQGDZAXVGSP-UHFFFAOYSA-N 0 1 379.245 3.270 20 0 GGADMN O=C([O-])[C@]1([NH2+]Cc2cc(Br)ccc2F)CCOc2ccccc21 ZINC000409447465 565615682 /nfs/dbraw/zinc/61/56/82/565615682.db2.gz ZCDSQTLBCNLPAX-KRWDZBQOSA-N 0 1 380.213 3.440 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)c1nnc[nH]1 ZINC000279491116 565615819 /nfs/dbraw/zinc/61/58/19/565615819.db2.gz OYYFVPLBKYYSJW-ZCFIWIBFSA-N 0 1 394.151 3.349 20 0 GGADMN CC(C)c1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)nn1C ZINC000174143821 565616715 /nfs/dbraw/zinc/61/67/15/565616715.db2.gz YTHOYYAJTZVULE-UHFFFAOYSA-N 0 1 389.257 3.343 20 0 GGADMN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(Br)cc1O ZINC000279508230 565616647 /nfs/dbraw/zinc/61/66/47/565616647.db2.gz ZDGAJRYGUSKHMU-SNVBAGLBSA-N 0 1 380.242 3.035 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2cc(Br)ccc2C1 ZINC000191609281 565616798 /nfs/dbraw/zinc/61/67/98/565616798.db2.gz SVLVCBOFLVSHMT-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN COC(=O)C[C@@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000324347948 565617483 /nfs/dbraw/zinc/61/74/83/565617483.db2.gz OEPRTJKLAUZDIT-BBRMVZONSA-N 0 1 397.313 3.044 20 0 GGADMN COC(=O)C[C@@H]1CCCCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000324347949 565617663 /nfs/dbraw/zinc/61/76/63/565617663.db2.gz OEPRTJKLAUZDIT-CJNGLKHVSA-N 0 1 397.313 3.044 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000409493512 565619557 /nfs/dbraw/zinc/61/95/57/565619557.db2.gz VRISKUZNHCEBOU-UHFFFAOYSA-N 0 1 394.357 3.456 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2ccc(F)c(Br)c2)C1=O ZINC000191644292 565619627 /nfs/dbraw/zinc/61/96/27/565619627.db2.gz IJOIAYNAUHDJBG-HNNXBMFYSA-N 0 1 395.276 3.090 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174207377 565620319 /nfs/dbraw/zinc/62/03/19/565620319.db2.gz PVLUTDYBKHJWIA-FSPWUOQZSA-N 0 1 383.319 3.278 20 0 GGADMN O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174212896 565621056 /nfs/dbraw/zinc/62/10/56/565621056.db2.gz PIBAMOAFPVLYGA-KBMXLJTQSA-N 0 1 383.319 3.278 20 0 GGADMN CN(Cc1cccc(Br)c1OCC(C)(C)O)CC1=CCCOC1 ZINC000191687246 565621796 /nfs/dbraw/zinc/62/17/96/565621796.db2.gz CJEGVOSPFAXZHI-UHFFFAOYSA-N 0 1 384.314 3.377 20 0 GGADMN CCOC[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696574 565621973 /nfs/dbraw/zinc/62/19/73/565621973.db2.gz PMMLMAVPJSJILE-OAHLLOKOSA-N 0 1 383.330 3.144 20 0 GGADMN Cc1cccc(O[C@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174235869 565622474 /nfs/dbraw/zinc/62/24/74/565622474.db2.gz VXXWATKQOUAUFJ-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN O[C@@H](CNCc1cc(Br)cc2c1OCC2)COc1ccccc1F ZINC000325594654 565622688 /nfs/dbraw/zinc/62/26/88/565622688.db2.gz AWVFVVCAPQRRAJ-HNNXBMFYSA-N 0 1 396.256 3.053 20 0 GGADMN Cc1cccc(O[C@@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174235882 565622719 /nfs/dbraw/zinc/62/27/19/565622719.db2.gz VXXWATKQOUAUFJ-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN O[C@H](CNCc1cc(Br)cc2c1OCC2)COc1ccccc1F ZINC000325594656 565622710 /nfs/dbraw/zinc/62/27/10/565622710.db2.gz AWVFVVCAPQRRAJ-OAHLLOKOSA-N 0 1 396.256 3.053 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)c1Br ZINC000279620211 565622946 /nfs/dbraw/zinc/62/29/46/565622946.db2.gz ZTOUJVLFMDCAJW-JTQLQIEISA-N 0 1 380.242 3.205 20 0 GGADMN Cc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)c(=O)n1C ZINC000279630359 565623216 /nfs/dbraw/zinc/62/32/16/565623216.db2.gz YYSMPUZIFUITLZ-MRXNPFEDSA-N 0 1 377.282 3.460 20 0 GGADMN Cc1nnc(SCC(=O)NC2(c3ccc(Br)cc3)CCC2)[nH]1 ZINC000174253855 565624628 /nfs/dbraw/zinc/62/46/28/565624628.db2.gz USIZVAQDBGYVLJ-UHFFFAOYSA-N 0 1 381.299 3.163 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC2(c3ccc(Br)cc3)CCC2)n1 ZINC000174253855 565624633 /nfs/dbraw/zinc/62/46/33/565624633.db2.gz USIZVAQDBGYVLJ-UHFFFAOYSA-N 0 1 381.299 3.163 20 0 GGADMN CCCN1CCN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000409560911 565624782 /nfs/dbraw/zinc/62/47/82/565624782.db2.gz IFMYIVBHTZVRCA-MJGOQNOKSA-N 0 1 377.326 3.207 20 0 GGADMN COc1cccc(O[C@@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174256282 565625123 /nfs/dbraw/zinc/62/51/23/565625123.db2.gz OUFHJNQCBDLCGW-SJCJKPOMSA-N 0 1 393.281 3.041 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000326525539 565625181 /nfs/dbraw/zinc/62/51/81/565625181.db2.gz FVFVXYNOIXUUFH-HNNXBMFYSA-N 0 1 395.670 3.008 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000326525539 565625185 /nfs/dbraw/zinc/62/51/85/565625185.db2.gz FVFVXYNOIXUUFH-HNNXBMFYSA-N 0 1 395.670 3.008 20 0 GGADMN O=S(=O)(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(Cl)s1 ZINC000174251765 565625209 /nfs/dbraw/zinc/62/52/09/565625209.db2.gz SWJMXWKDQVQSGW-UHFFFAOYSA-N 0 1 399.860 3.195 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191722490 565625283 /nfs/dbraw/zinc/62/52/83/565625283.db2.gz VCZHIWQQQZBFMW-UHFFFAOYSA-N 0 1 390.709 3.023 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)c(Br)c1 ZINC000174261656 565625974 /nfs/dbraw/zinc/62/59/74/565625974.db2.gz OZIYHKANSFRTAT-HXUWFJFHSA-N 0 1 388.308 3.296 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1ccccc1F ZINC000174262969 565626253 /nfs/dbraw/zinc/62/62/53/565626253.db2.gz WLVOFPUYICFDTC-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN COc1ccccc1O[C@H](C)CN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174271353 565626304 /nfs/dbraw/zinc/62/63/04/565626304.db2.gz JNNJYPQZOVPGPP-SJKOYZFVSA-N 0 1 393.281 3.041 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNCCCn1cnc2ccccc21 ZINC000326855300 565626369 /nfs/dbraw/zinc/62/63/69/565626369.db2.gz RNPNRSAHFQQHCN-UHFFFAOYSA-N 0 1 377.897 3.273 20 0 GGADMN Cc1ccc(F)c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000279697561 565628214 /nfs/dbraw/zinc/62/82/14/565628214.db2.gz JBBFACLGPQVVLZ-CHWSQXEVSA-N 0 1 387.293 3.126 20 0 GGADMN Cc1ccc(F)c(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000279697559 565628260 /nfs/dbraw/zinc/62/82/60/565628260.db2.gz JBBFACLGPQVVLZ-BETUJISGSA-N 0 1 387.293 3.126 20 0 GGADMN CC(C)n1cnc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000409626618 565628774 /nfs/dbraw/zinc/62/87/74/565628774.db2.gz VGAVZHKSESUKFW-UHFFFAOYSA-N 0 1 375.230 3.264 20 0 GGADMN Nc1nc(-n2cccn2)cc(N2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000409643538 565630369 /nfs/dbraw/zinc/63/03/69/565630369.db2.gz IJQSGHZFPCCEAO-UHFFFAOYSA-N 0 1 399.296 3.221 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Br)c(F)c1 ZINC000174359220 565631076 /nfs/dbraw/zinc/63/10/76/565631076.db2.gz CAJJINPROILWOP-UHFFFAOYSA-N 0 1 387.230 3.212 20 0 GGADMN C[C@@H](c1cnn(C)c1)N(C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191781598 565631794 /nfs/dbraw/zinc/63/17/94/565631794.db2.gz LTQWRFNNRDPWMU-AWEZNQCLSA-N 0 1 393.329 3.212 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(Br)cs2)c1 ZINC000279806413 565633608 /nfs/dbraw/zinc/63/36/08/565633608.db2.gz WVBMQAJVZINBSR-SNVBAGLBSA-N 0 1 389.340 3.270 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)c1 ZINC000191806816 565634155 /nfs/dbraw/zinc/63/41/55/565634155.db2.gz FEFPAEBVPCFALJ-UHFFFAOYSA-N 0 1 398.282 3.234 20 0 GGADMN COc1cc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)ccc1Br ZINC000191807909 565634695 /nfs/dbraw/zinc/63/46/95/565634695.db2.gz YKMZVJNZYOHMEO-UHFFFAOYSA-N 0 1 398.282 3.234 20 0 GGADMN C[C@@H]1CCC[C@@]1(O)CNCc1ncc(Br)cc1Br ZINC000328292525 565634840 /nfs/dbraw/zinc/63/48/40/565634840.db2.gz RXHPHLUZYATNQS-NOZJJQNGSA-N 0 1 378.108 3.247 20 0 GGADMN COCCN(C)c1ccc(CN[C@@H](C)c2ccc(Br)cn2)cn1 ZINC000279839169 565636600 /nfs/dbraw/zinc/63/66/00/565636600.db2.gz QXSLOCXGGIJJMD-ZDUSSCGKSA-N 0 1 379.302 3.173 20 0 GGADMN O=C(c1cc(Br)cc2nc[nH]c21)N1CCN(C2CCCC2)CC1 ZINC000328647367 565636717 /nfs/dbraw/zinc/63/67/17/565636717.db2.gz HLLSKQUTNUWMIA-UHFFFAOYSA-N 0 1 377.286 3.026 20 0 GGADMN O=C(COc1ccc(Br)cc1F)NCc1nc2ccc(F)cc2[nH]1 ZINC000174457816 565636622 /nfs/dbraw/zinc/63/66/22/565636622.db2.gz HEBVVMOZRURHRJ-UHFFFAOYSA-N 0 1 396.191 3.299 20 0 GGADMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(Br)c2)n1 ZINC000191842755 565637128 /nfs/dbraw/zinc/63/71/28/565637128.db2.gz IMZUFHBMEKZCFY-UHFFFAOYSA-N 0 1 382.283 3.480 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000328671518 565637905 /nfs/dbraw/zinc/63/79/05/565637905.db2.gz NMGWHQNYAWHKAV-UHFFFAOYSA-N 0 1 379.551 3.223 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)c2)n1 ZINC000328673048 565638219 /nfs/dbraw/zinc/63/82/19/565638219.db2.gz OUKQWUDOVVCNLV-HIFRSBDPSA-N 0 1 377.535 3.022 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c1 ZINC000191878799 565639598 /nfs/dbraw/zinc/63/95/98/565639598.db2.gz VGPGCGHSTYCFAW-UHFFFAOYSA-N 0 1 380.214 3.306 20 0 GGADMN C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nnc[nH]1 ZINC000174523741 565640581 /nfs/dbraw/zinc/64/05/81/565640581.db2.gz IGUICOUCAZUPKX-NSHDSACASA-N 0 1 399.248 3.289 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@H](C)CN3CCCCC3)c2)n1 ZINC000328768287 565640914 /nfs/dbraw/zinc/64/09/14/565640914.db2.gz FZDXXGYJYMJEFO-CQSZACIVSA-N 0 1 379.551 3.271 20 0 GGADMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000328746104 565640996 /nfs/dbraw/zinc/64/09/96/565640996.db2.gz AJRXYZGLFBIIIE-BLLLJJGKSA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000328746104 565640999 /nfs/dbraw/zinc/64/09/99/565640999.db2.gz AJRXYZGLFBIIIE-BLLLJJGKSA-N 0 1 375.270 3.036 20 0 GGADMN Cc1[nH]ncc1CCCN1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000279949998 565642252 /nfs/dbraw/zinc/64/22/52/565642252.db2.gz SZIPVTCLIXLALP-HNNXBMFYSA-N 0 1 381.263 3.121 20 0 GGADMN C[C@@H](NC[C@H](O)c1ccsc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279952437 565642928 /nfs/dbraw/zinc/64/29/28/565642928.db2.gz BXNISXNABHMGMI-OQPBUACISA-N 0 1 395.333 3.087 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(Br)c1F ZINC000191948813 565645163 /nfs/dbraw/zinc/64/51/63/565645163.db2.gz YDHYNWCCVWDDHA-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(Br)cn2)[nH]1 ZINC000191962869 565645317 /nfs/dbraw/zinc/64/53/17/565645317.db2.gz FXWUBDREJBVLTP-UHFFFAOYSA-N 0 1 395.257 3.339 20 0 GGADMN Cc1nc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)cs1 ZINC000174601338 565645617 /nfs/dbraw/zinc/64/56/17/565645617.db2.gz DTKJOQLNMKVYFD-UHFFFAOYSA-N 0 1 385.580 3.020 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)c2cncc(Cl)c2)[C@@H]1c1cccs1 ZINC000328876225 565645591 /nfs/dbraw/zinc/64/55/91/565645591.db2.gz ZRKOZHPPMSQQKB-MLGOLLRUSA-N 0 1 385.942 3.158 20 0 GGADMN CC[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCN1C[C@@H](C)O ZINC000174600103 565646005 /nfs/dbraw/zinc/64/60/05/565646005.db2.gz JJCPOZUYMUTOKU-DGCLKSJQSA-N 0 1 384.307 3.392 20 0 GGADMN Cc1nnc(SCC(=O)NCCc2ccc(-c3csc(C)n3)s2)[nH]1 ZINC000174610176 565646641 /nfs/dbraw/zinc/64/66/41/565646641.db2.gz UNIDOIKPRLQZIW-UHFFFAOYSA-N 0 1 379.536 3.058 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCCc2ccc(-c3csc(C)n3)s2)n1 ZINC000174610176 565646646 /nfs/dbraw/zinc/64/66/46/565646646.db2.gz UNIDOIKPRLQZIW-UHFFFAOYSA-N 0 1 379.536 3.058 20 0 GGADMN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1c2c(nn1C)CCC2 ZINC000328908486 565646872 /nfs/dbraw/zinc/64/68/72/565646872.db2.gz MCMZTOQLWQWUHV-UHFFFAOYSA-N 0 1 384.299 3.089 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[C@@H](C)CN1C ZINC000409893768 565647684 /nfs/dbraw/zinc/64/76/84/565647684.db2.gz AOHQZSWMJFHXDL-RLHHIGHOSA-N 0 1 377.326 3.204 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000192003508 565648386 /nfs/dbraw/zinc/64/83/86/565648386.db2.gz OYHLYZGIQDVQMK-OAHLLOKOSA-N 0 1 375.296 3.243 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCN1C[C@@H](C)O ZINC000174645675 565649457 /nfs/dbraw/zinc/64/94/57/565649457.db2.gz DCPHFWCUXGHGFP-RRCSTGOVSA-N 0 1 385.335 3.401 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc(OC)c1 ZINC000174651260 565649959 /nfs/dbraw/zinc/64/99/59/565649959.db2.gz MYZJGPWWRJBLKL-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000192004705 565650009 /nfs/dbraw/zinc/65/00/09/565650009.db2.gz NJQONFFOXOOKAM-CQSZACIVSA-N 0 1 375.296 3.243 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000329024237 565651255 /nfs/dbraw/zinc/65/12/55/565651255.db2.gz JAGQHPXXLYJING-CQSZACIVSA-N 0 1 389.297 3.111 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000329024237 565651258 /nfs/dbraw/zinc/65/12/58/565651258.db2.gz JAGQHPXXLYJING-CQSZACIVSA-N 0 1 389.297 3.111 20 0 GGADMN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000280096583 565651494 /nfs/dbraw/zinc/65/14/94/565651494.db2.gz KMEMTSYZZHFOEF-SECBINFHSA-N 0 1 390.241 3.276 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3scc(C)c3Br)CC2)c1 ZINC000192039945 565652041 /nfs/dbraw/zinc/65/20/41/565652041.db2.gz LZRNOWPUOMKCHF-UHFFFAOYSA-N 0 1 396.310 3.185 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@H](N4CCCC4)C[C@@H]3C)s2)cs1 ZINC000329047175 565652488 /nfs/dbraw/zinc/65/24/88/565652488.db2.gz GCCAPLVAQOXZFH-GXTWGEPZSA-N 0 1 397.591 3.427 20 0 GGADMN COc1ccccc1-c1csc(NC(=O)CCSc2nnc(C)[nH]2)n1 ZINC000174720594 565653240 /nfs/dbraw/zinc/65/32/40/565653240.db2.gz TUTHNCRDDYCZLV-UHFFFAOYSA-N 0 1 375.479 3.366 20 0 GGADMN CC(C)c1nnc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000192056062 565653358 /nfs/dbraw/zinc/65/33/58/565653358.db2.gz DRKPMKNSVZYSRD-HIFRSBDPSA-N 0 1 380.901 3.373 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(Br)cn2)n[nH]1 ZINC000280128721 565653869 /nfs/dbraw/zinc/65/38/69/565653869.db2.gz CHMVLHCVHVMLLH-NXEZZACHSA-N 0 1 381.278 3.207 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(Br)cn2)n[nH]1 ZINC000280128726 565653956 /nfs/dbraw/zinc/65/39/56/565653956.db2.gz CHMVLHCVHVMLLH-VHSXEESVSA-N 0 1 381.278 3.207 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000329116761 565654185 /nfs/dbraw/zinc/65/41/85/565654185.db2.gz ISIWSMNPZFMULW-LLVKDONJSA-N 0 1 387.281 3.141 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000329116761 565654189 /nfs/dbraw/zinc/65/41/89/565654189.db2.gz ISIWSMNPZFMULW-LLVKDONJSA-N 0 1 387.281 3.141 20 0 GGADMN COC(=O)C[C@@H]1CSCCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000174736523 565654835 /nfs/dbraw/zinc/65/48/35/565654835.db2.gz HBURBFXCYJJOLF-LLVKDONJSA-N 0 1 391.320 3.303 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CCN1C ZINC000409985175 565654989 /nfs/dbraw/zinc/65/49/89/565654989.db2.gz VZIVKUZXGQWROU-BJLQDIEVSA-N 0 1 391.353 3.452 20 0 GGADMN Cc1ccc(-c2cc(=NC(=O)C3(c4cncc(Br)c4)CC3)[nH][nH]2)o1 ZINC000409990111 565656236 /nfs/dbraw/zinc/65/62/36/565656236.db2.gz BNVOSSAQHAGVDX-UHFFFAOYSA-N 0 1 387.237 3.228 20 0 GGADMN C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCCCO1 ZINC000280163661 565656362 /nfs/dbraw/zinc/65/63/62/565656362.db2.gz QUPJOWWHWHYYAL-RBZYPMLTSA-N 0 1 381.325 3.249 20 0 GGADMN CCC1(CO)CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000192075457 565656580 /nfs/dbraw/zinc/65/65/80/565656580.db2.gz JSFDSXNRBHVPGA-MRXNPFEDSA-N 0 1 381.314 3.039 20 0 GGADMN O=c1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nc2sccn21 ZINC000192081910 565656643 /nfs/dbraw/zinc/65/66/43/565656643.db2.gz SLNCLOGYEONVCA-HOCLYGCPSA-N 0 1 379.844 3.168 20 0 GGADMN Cc1nc(NC(=O)c2cccc3nc[nH]c32)ccc1I ZINC000410010074 565658007 /nfs/dbraw/zinc/65/80/07/565658007.db2.gz JBOTUSAOXBYSEB-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN CC(C)[C@@H](O)C1(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280203615 565658719 /nfs/dbraw/zinc/65/87/19/565658719.db2.gz SXBKGXJSYXCSJU-MEBBXXQBSA-N 0 1 395.352 3.089 20 0 GGADMN CC(C)[C@H](O)C1(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280203610 565659153 /nfs/dbraw/zinc/65/91/53/565659153.db2.gz SXBKGXJSYXCSJU-BONVTDFDSA-N 0 1 395.352 3.089 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CCO[C@H](CC(C)C)C2)sc1Br ZINC000329250411 565660791 /nfs/dbraw/zinc/66/07/91/565660791.db2.gz XQXHWQSWQMCQMU-WDEREUQCSA-N 0 1 397.360 3.086 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)sc1Br ZINC000329250409 565660828 /nfs/dbraw/zinc/66/08/28/565660828.db2.gz XQXHWQSWQMCQMU-MNOVXSKESA-N 0 1 397.360 3.086 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)sc1Br ZINC000329250407 565660841 /nfs/dbraw/zinc/66/08/41/565660841.db2.gz XQXHWQSWQMCQMU-GHMZBOCLSA-N 0 1 397.360 3.086 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](N4CCCC4)[C@H]3C)s2)cs1 ZINC000329243050 565661068 /nfs/dbraw/zinc/66/10/68/565661068.db2.gz SQGFIUZOUURBIF-DOMZBBRYSA-N 0 1 397.591 3.427 20 0 GGADMN CC[C@H](NCc1ccc(OC)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280243228 565661410 /nfs/dbraw/zinc/66/14/10/565661410.db2.gz IIELYAQTYHCZHS-KRWDZBQOSA-N 0 1 382.913 3.498 20 0 GGADMN Cc1cccc(CCN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000280245563 565661712 /nfs/dbraw/zinc/66/17/12/565661712.db2.gz WGMHYACSANNOOF-NSHDSACASA-N 0 1 388.320 3.238 20 0 GGADMN CC[C@@H](NCc1ccc(OC)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280243231 565661724 /nfs/dbraw/zinc/66/17/24/565661724.db2.gz IIELYAQTYHCZHS-QGZVFWFLSA-N 0 1 382.913 3.498 20 0 GGADMN COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280275113 565662169 /nfs/dbraw/zinc/66/21/69/565662169.db2.gz LFEVFYLCJTXKJX-UHFFFAOYSA-N 0 1 384.885 3.220 20 0 GGADMN CSCCONC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000280270053 565662246 /nfs/dbraw/zinc/66/22/46/565662246.db2.gz LWJNAWVXBHFYRJ-WFASDCNBSA-N 0 1 375.897 3.066 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC1 ZINC000192144664 565662690 /nfs/dbraw/zinc/66/26/90/565662690.db2.gz WZNMBSXYIWDSPD-UHFFFAOYSA-N 0 1 389.279 3.013 20 0 GGADMN CSCCONC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000280270036 565662747 /nfs/dbraw/zinc/66/27/47/565662747.db2.gz LWJNAWVXBHFYRJ-DOMZBBRYSA-N 0 1 375.897 3.066 20 0 GGADMN CCC(O)(CC)CCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280267321 565662821 /nfs/dbraw/zinc/66/28/21/565662821.db2.gz XOQZRPWGXXNLDD-SNVBAGLBSA-N 0 1 383.341 3.233 20 0 GGADMN Cc1nc(NC(=O)c2cc(F)cc3[nH]cnc32)ccc1I ZINC000410093700 565662922 /nfs/dbraw/zinc/66/29/22/565662922.db2.gz JAVFDPHYGWWVLT-UHFFFAOYSA-N 0 1 396.163 3.262 20 0 GGADMN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccn[nH]2)c(Br)c1 ZINC000410092522 565663052 /nfs/dbraw/zinc/66/30/52/565663052.db2.gz YOWLIOAGPAYTCA-CQSZACIVSA-N 0 1 378.270 3.302 20 0 GGADMN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccn[nH]2)c(Br)c1 ZINC000410092521 565663129 /nfs/dbraw/zinc/66/31/29/565663129.db2.gz YOWLIOAGPAYTCA-AWEZNQCLSA-N 0 1 378.270 3.302 20 0 GGADMN CS(=O)(=O)N(CCNC1(c2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000192158449 565663454 /nfs/dbraw/zinc/66/34/54/565663454.db2.gz CKGBWPRWZMDUBK-UHFFFAOYSA-N 0 1 378.925 3.381 20 0 GGADMN Cn1cc2c(n1)CCC[C@H]2NCc1cc(Br)c2c(c1)OCCO2 ZINC000280294148 565663717 /nfs/dbraw/zinc/66/37/17/565663717.db2.gz ZLVFUFMEFYVIKR-CQSZACIVSA-N 0 1 378.270 3.121 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H]2CCc3cc(OC)c(OC)cc32)s1 ZINC000280287945 565663970 /nfs/dbraw/zinc/66/39/70/565663970.db2.gz ZAAAYCVUNPRWGG-HNNXBMFYSA-N 0 1 381.519 3.336 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000174892756 565664946 /nfs/dbraw/zinc/66/49/46/565664946.db2.gz VUAQTHKJDJUPRW-LLVKDONJSA-N 0 1 384.552 3.229 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3[nH]nc(C(C)C)c3Br)[nH]c2c1 ZINC000174866394 565665150 /nfs/dbraw/zinc/66/51/50/565665150.db2.gz GFXWUSMLTSRXIB-UHFFFAOYSA-N 0 1 376.258 3.410 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3ccc(Br)c(C)c3)C2)n1 ZINC000329428833 565665575 /nfs/dbraw/zinc/66/55/75/565665575.db2.gz HRZBMXKIPJCIMX-CYBMUJFWSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc(Br)c(C)c3)C2)[nH]1 ZINC000329428833 565665577 /nfs/dbraw/zinc/66/55/77/565665577.db2.gz HRZBMXKIPJCIMX-CYBMUJFWSA-N 0 1 392.301 3.002 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(Br)cn2)c1 ZINC000280320322 565665511 /nfs/dbraw/zinc/66/55/11/565665511.db2.gz HAKDAUMGWRDVCD-WBMJQRKESA-N 0 1 393.281 3.137 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3cc(Br)cnc3N(C)C)[nH]c2c1 ZINC000174902819 565665950 /nfs/dbraw/zinc/66/59/50/565665950.db2.gz QPHJLNIWUGKWQX-UHFFFAOYSA-N 0 1 388.269 3.025 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCOC[C@H](C2CCC2)C1 ZINC000329407235 565666341 /nfs/dbraw/zinc/66/63/41/565666341.db2.gz BCZDOYJJQGRLOU-GFCCVEGCSA-N 0 1 378.270 3.214 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(CC(=O)Nc3ccc(Br)c(C)c3)C2)n1 ZINC000329428834 565666428 /nfs/dbraw/zinc/66/64/28/565666428.db2.gz HRZBMXKIPJCIMX-ZDUSSCGKSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1nnc([C@H]2CCCN(CC(=O)Nc3ccc(Br)c(C)c3)C2)[nH]1 ZINC000329428834 565666434 /nfs/dbraw/zinc/66/64/34/565666434.db2.gz HRZBMXKIPJCIMX-ZDUSSCGKSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1cc(N2CC[C@@H](NCc3ccc(Br)c(Cl)c3)C2=O)n(C)n1 ZINC000192187180 565666888 /nfs/dbraw/zinc/66/68/88/565666888.db2.gz VHYFREQMBLRJHL-CQSZACIVSA-N 0 1 397.704 3.040 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC000192184327 565667306 /nfs/dbraw/zinc/66/73/06/565667306.db2.gz KYQGNYXXKKPOOH-CYBMUJFWSA-N 0 1 376.444 3.071 20 0 GGADMN C[C@@H]1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC000192184327 565667311 /nfs/dbraw/zinc/66/73/11/565667311.db2.gz KYQGNYXXKKPOOH-CYBMUJFWSA-N 0 1 376.444 3.071 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc2c(c1)NC(=O)CO2 ZINC000174922277 565667490 /nfs/dbraw/zinc/66/74/90/565667490.db2.gz OBCOLZBEMVXZGS-UHFFFAOYSA-N 0 1 397.612 3.391 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1n[nH]c(=O)c2ccccc12 ZINC000174916323 565667525 /nfs/dbraw/zinc/66/75/25/565667525.db2.gz FSKKYFOJSNEYMB-UHFFFAOYSA-N 0 1 394.612 3.297 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000410155913 565667879 /nfs/dbraw/zinc/66/78/79/565667879.db2.gz QHFHZFYAZOSIEO-DZGCQCFKSA-N 0 1 389.323 3.234 20 0 GGADMN CCc1ncc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)s1 ZINC000329505675 565668339 /nfs/dbraw/zinc/66/83/39/565668339.db2.gz IQZUGVJEXPXOPM-HOCLYGCPSA-N 0 1 377.535 3.011 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2cc(Br)ccc2F)c1 ZINC000174950269 565668516 /nfs/dbraw/zinc/66/85/16/565668516.db2.gz LNRZWUYQPURCSP-UHFFFAOYSA-N 0 1 376.251 3.242 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)N(C)CC(F)(F)F ZINC000192197029 565669428 /nfs/dbraw/zinc/66/94/28/565669428.db2.gz SASLYCXPIIKHJO-ZDUSSCGKSA-N 0 1 375.460 3.057 20 0 GGADMN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N([C@@H]2CCc3nc[nH]c3C2)C1=O ZINC000329543804 565669933 /nfs/dbraw/zinc/66/99/33/565669933.db2.gz FQHVKCGKKVHMHY-QGHHPUGFSA-N 0 1 379.247 3.245 20 0 GGADMN O=S1(=O)CCCC[C@H]1CN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000329570859 565671481 /nfs/dbraw/zinc/67/14/81/565671481.db2.gz ITMMBCKRDGQKHP-DZGCQCFKSA-N 0 1 388.327 3.220 20 0 GGADMN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1occc1Br ZINC000192220521 565671603 /nfs/dbraw/zinc/67/16/03/565671603.db2.gz VWXLEOCEQHSXAC-HNNXBMFYSA-N 0 1 393.281 3.063 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(Br)nn3C)[nH]c2c1 ZINC000192241764 565673122 /nfs/dbraw/zinc/67/31/22/565673122.db2.gz ZERGJEXFIRIINS-ZDUSSCGKSA-N 0 1 388.269 3.345 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000175014309 565673818 /nfs/dbraw/zinc/67/38/18/565673818.db2.gz XOBLFVPVBBOOFW-UHFFFAOYSA-N 0 1 382.869 3.241 20 0 GGADMN O=S1(=O)CCCC[C@H]1CN[C@H]1CCCOc2c(Br)cccc21 ZINC000329624982 565674497 /nfs/dbraw/zinc/67/44/97/565674497.db2.gz VCCUHEPMIRCOQH-WFASDCNBSA-N 0 1 388.327 3.220 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCCOc2c(Br)cccc21 ZINC000329624980 565674551 /nfs/dbraw/zinc/67/45/51/565674551.db2.gz VCCUHEPMIRCOQH-IUODEOHRSA-N 0 1 388.327 3.220 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000175027746 565675275 /nfs/dbraw/zinc/67/52/75/565675275.db2.gz RWGHGJHGIZVOGG-GHMZBOCLSA-N 0 1 383.315 3.009 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000175055615 565676230 /nfs/dbraw/zinc/67/62/30/565676230.db2.gz JFRFJWYGDCANRX-SNVBAGLBSA-N 0 1 384.527 3.075 20 0 GGADMN CN(CCCCC1CCOCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000410348436 565677509 /nfs/dbraw/zinc/67/75/09/565677509.db2.gz JRZBIMXRLRAVOZ-UHFFFAOYSA-N 0 1 384.318 3.311 20 0 GGADMN CN(C1CCCCC1)S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000329740559 565677695 /nfs/dbraw/zinc/67/76/95/565677695.db2.gz OATFAIGUVOTMER-CRAIPNDOSA-N 0 1 385.599 3.230 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1Br ZINC000329726933 565677751 /nfs/dbraw/zinc/67/77/51/565677751.db2.gz OPUSWEFHJGYUIB-ZDUSSCGKSA-N 0 1 389.297 3.012 20 0 GGADMN COc1ccc(Br)cc1[C@H]1CCCN1CCN1CCOC[C@@H]1C ZINC000410345259 565677963 /nfs/dbraw/zinc/67/79/63/565677963.db2.gz PIOONQYPDXFXLC-WMLDXEAASA-N 0 1 383.330 3.315 20 0 GGADMN CN(C1CCCCC1)S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000329740562 565678330 /nfs/dbraw/zinc/67/83/30/565678330.db2.gz OATFAIGUVOTMER-MAUKXSAKSA-N 0 1 385.599 3.230 20 0 GGADMN COc1ccc(Br)cc1[C@H]1CCCN1CCN1CCOC[C@H]1C ZINC000410345258 565678323 /nfs/dbraw/zinc/67/83/23/565678323.db2.gz PIOONQYPDXFXLC-RHSMWYFYSA-N 0 1 383.330 3.315 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000175089695 565678979 /nfs/dbraw/zinc/67/89/79/565678979.db2.gz XXUNPEWDVHWMCY-SNVBAGLBSA-N 0 1 386.955 3.341 20 0 GGADMN CCCCOc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410376547 565680370 /nfs/dbraw/zinc/68/03/70/565680370.db2.gz UXGXJMZSZJRRQQ-UHFFFAOYSA-N 0 1 382.869 3.419 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000192350399 565681869 /nfs/dbraw/zinc/68/18/69/565681869.db2.gz KEEUNEHXTFHYDL-JTQLQIEISA-N 0 1 375.694 3.277 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000175158445 565682384 /nfs/dbraw/zinc/68/23/84/565682384.db2.gz LPSDEBBCQWJGGY-CYBMUJFWSA-N 0 1 380.564 3.420 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1([S@@](C)=O)CCC1 ZINC000280579937 565682879 /nfs/dbraw/zinc/68/28/79/565682879.db2.gz HKKYTNMDTNKTKK-RUZDIDTESA-N 0 1 383.920 3.423 20 0 GGADMN NC(=O)C[C@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000175210731 565684668 /nfs/dbraw/zinc/68/46/68/565684668.db2.gz ZUKMYXXXENYJJD-GFCCVEGCSA-N 0 1 378.270 3.192 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3c[nH]c4ncc(Br)cc34)CC2)n[nH]1 ZINC000329892812 565684803 /nfs/dbraw/zinc/68/48/03/565684803.db2.gz AFNMUJAWXFGFNY-UHFFFAOYSA-N 0 1 388.269 3.377 20 0 GGADMN NC(=O)C[C@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000175222182 565686022 /nfs/dbraw/zinc/68/60/22/565686022.db2.gz IHGWBKKNAAZOPD-GFCCVEGCSA-N 0 1 378.270 3.192 20 0 GGADMN NC(=O)C[C@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000175219376 565686083 /nfs/dbraw/zinc/68/60/83/565686083.db2.gz GLIHOQMGCRBMQG-GFCCVEGCSA-N 0 1 378.270 3.192 20 0 GGADMN NC(=O)C[C@@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000175222203 565686229 /nfs/dbraw/zinc/68/62/29/565686229.db2.gz IHGWBKKNAAZOPD-LBPRGKRZSA-N 0 1 378.270 3.192 20 0 GGADMN C[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@H](C2CC2)O1 ZINC000329944866 565686882 /nfs/dbraw/zinc/68/68/82/565686882.db2.gz WZHDTPAGJOWWSP-SMDDNHRTSA-N 0 1 390.281 3.479 20 0 GGADMN Cc1cc(NC(=O)N2CCN(C3CCOCC3)CC2)cc(C)c1Br ZINC000192417697 565687029 /nfs/dbraw/zinc/68/70/29/565687029.db2.gz SZSPICMZOFHNCK-UHFFFAOYSA-N 0 1 396.329 3.394 20 0 GGADMN CCc1nsc(N2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)n1 ZINC000175259726 565688197 /nfs/dbraw/zinc/68/81/97/565688197.db2.gz DYHNFMMVRJCKJU-UHFFFAOYSA-N 0 1 387.292 3.075 20 0 GGADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000280681874 565688394 /nfs/dbraw/zinc/68/83/94/565688394.db2.gz INFZDJZXPUDNHM-UHFFFAOYSA-N 0 1 384.929 3.085 20 0 GGADMN Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000175250840 565688559 /nfs/dbraw/zinc/68/85/59/565688559.db2.gz KBTDJEYORBHHMG-OAHLLOKOSA-N 0 1 382.526 3.386 20 0 GGADMN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ncc(Br)s1 ZINC000192423292 565688990 /nfs/dbraw/zinc/68/89/90/565688990.db2.gz VFERELMULQYOME-CYBMUJFWSA-N 0 1 380.311 3.300 20 0 GGADMN CCCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 ZINC000280703497 565689255 /nfs/dbraw/zinc/68/92/55/565689255.db2.gz KMMQEQHUBQKGLI-UHFFFAOYSA-N 0 1 386.945 3.428 20 0 GGADMN COC(=O)c1cccc(NC(=O)N2CCN(CC(C)C)CC2)c1Br ZINC000192424255 565690084 /nfs/dbraw/zinc/69/00/84/565690084.db2.gz VKNXMTXFLKAXLO-UHFFFAOYSA-N 0 1 398.301 3.041 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2Br)CCN1C[C@@H](C)O ZINC000175298040 565691189 /nfs/dbraw/zinc/69/11/89/565691189.db2.gz UMJRIPSRQVVZAF-ZIAGYGMSSA-N 0 1 384.318 3.066 20 0 GGADMN C[C@@]1(O)CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000280741799 565692739 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O=S(=O)(NC1CCN(CCSCc2ccccc2)CC1)c1cccs1 ZINC000192527249 565696802 /nfs/dbraw/zinc/69/68/02/565696802.db2.gz JTURTJVXNCDCQD-UHFFFAOYSA-N 0 1 396.603 3.424 20 0 GGADMN O=C(Cc1ccn[nH]1)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000175391568 565696904 /nfs/dbraw/zinc/69/69/04/565696904.db2.gz WWVJRPQDULCPFG-OAHLLOKOSA-N 0 1 381.263 3.279 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000175405010 565697384 /nfs/dbraw/zinc/69/73/84/565697384.db2.gz QKJNNEDLXJKEJY-ZDUSSCGKSA-N 0 1 379.555 3.002 20 0 GGADMN CS(=O)(=O)Nc1cccc2c1CCN(CCSCc1ccccc1)C2 ZINC000192555828 565699748 /nfs/dbraw/zinc/69/97/48/565699748.db2.gz YJCKARQDBMDBMO-UHFFFAOYSA-N 0 1 376.547 3.350 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000330258085 565699858 /nfs/dbraw/zinc/69/98/58/565699858.db2.gz MDIMJBCFKAEWPC-OAHLLOKOSA-N 0 1 381.860 3.146 20 0 GGADMN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)C1 ZINC000175443514 565700596 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565800857 /nfs/dbraw/zinc/80/08/57/565800857.db2.gz CDQFZJCTVXWMHY-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H]2CCc3ccc(Br)cc32)c1 ZINC000282870350 565801022 /nfs/dbraw/zinc/80/10/22/565801022.db2.gz ZMDBYEUAXBEAPF-KRWDZBQOSA-N 0 1 395.322 3.134 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332025912 565801074 /nfs/dbraw/zinc/80/10/74/565801074.db2.gz TZHZIQBYMFWAAA-NSHDSACASA-N 0 1 381.295 3.258 20 0 GGADMN C[C@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1nnc[nH]1 ZINC000176750086 565801087 /nfs/dbraw/zinc/80/10/87/565801087.db2.gz NLTWIZMPPWIHOE-JTQLQIEISA-N 0 1 388.225 3.246 20 0 GGADMN CCc1nc(C[S@@](=O)Cc2ccc(OC)c(SC(F)(F)F)c2)n[nH]1 ZINC000194252154 565804312 /nfs/dbraw/zinc/80/43/12/565804312.db2.gz RGBKYCMQEAWSMS-DEOSSOPVSA-N 0 1 379.429 3.437 20 0 GGADMN O=S(=O)(NC1CCCC1)c1scc(Br)c1Br ZINC000176813849 565805405 /nfs/dbraw/zinc/80/54/05/565805405.db2.gz MXGARADDPKITOA-UHFFFAOYSA-N 0 1 389.134 3.494 20 0 GGADMN CC[C@H](C)NS(=O)(=O)c1scc(Br)c1Br 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20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000194284822 565806245 /nfs/dbraw/zinc/80/62/45/565806245.db2.gz CHTKYZFNZADRDD-SNVBAGLBSA-N 0 1 381.249 3.081 20 0 GGADMN CCOCCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000194307312 565807107 /nfs/dbraw/zinc/80/71/07/565807107.db2.gz ROZPQLHVJULZOT-UHFFFAOYSA-N 0 1 382.507 3.238 20 0 GGADMN Cc1sc(Br)c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000283033499 565807859 /nfs/dbraw/zinc/80/78/59/565807859.db2.gz PJVZNFJURNWCBW-GHMZBOCLSA-N 0 1 389.359 3.357 20 0 GGADMN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332133426 565808432 /nfs/dbraw/zinc/80/84/32/565808432.db2.gz KMLSUMYBBFXHGH-MLGOLLRUSA-N 0 1 378.270 3.072 20 0 GGADMN Cc1cnc(N2CCC(CCCN3CCOCC3)CC2)c(Br)c1 ZINC000194326643 565809186 /nfs/dbraw/zinc/80/91/86/565809186.db2.gz KMIMOPRDCPDAON-UHFFFAOYSA-N 0 1 382.346 3.481 20 0 GGADMN CC[C@@]1(CO)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332145269 565809340 /nfs/dbraw/zinc/80/93/40/565809340.db2.gz 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565814687 /nfs/dbraw/zinc/81/46/87/565814687.db2.gz ISGJFGORYLEWCM-UHFFFAOYSA-N 0 1 399.207 3.139 20 0 GGADMN COc1ccc(CCC(=O)Nc2cc(CN(C)C)ccn2)cc1Br ZINC000176931352 565815809 /nfs/dbraw/zinc/81/58/09/565815809.db2.gz NWMVJMYQYPHIGB-UHFFFAOYSA-N 0 1 392.297 3.486 20 0 GGADMN COc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(OC)c1Br ZINC000176942641 565816202 /nfs/dbraw/zinc/81/62/02/565816202.db2.gz DIQOIBMBHLXOON-UHFFFAOYSA-N 0 1 394.269 3.175 20 0 GGADMN C[C@@H](CC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332217050 565816753 /nfs/dbraw/zinc/81/67/53/565816753.db2.gz UTARPDKMDVTDSE-AAEUAGOBSA-N 0 1 394.269 3.438 20 0 GGADMN C[C@H](CC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332217055 565817084 /nfs/dbraw/zinc/81/70/84/565817084.db2.gz UTARPDKMDVTDSE-YPMHNXCESA-N 0 1 394.269 3.438 20 0 GGADMN CC(C)SCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000283391397 565818695 /nfs/dbraw/zinc/81/86/95/565818695.db2.gz DKILTISVIYAMSJ-UHFFFAOYSA-N 0 1 380.583 3.490 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283445237 565819366 /nfs/dbraw/zinc/81/93/66/565819366.db2.gz NOPXMDFNJMAGRJ-JYAVWHMHSA-N 0 1 379.913 3.389 20 0 GGADMN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332233922 565819343 /nfs/dbraw/zinc/81/93/43/565819343.db2.gz ZWRQGEUGTZDCIR-ZJUUUORDSA-N 0 1 386.235 3.256 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CCN1C[C@H](C)O ZINC000332236968 565819987 /nfs/dbraw/zinc/81/99/87/565819987.db2.gz NYGRDPJDFNTYJP-RYUDHWBXSA-N 0 1 384.307 3.392 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)ccc1I ZINC000194534918 565821067 /nfs/dbraw/zinc/82/10/67/565821067.db2.gz PVWPLSMAZLZFSG-NHCYSSNCSA-N 0 1 387.265 3.194 20 0 GGADMN O=C(c1cc(Cl)ccc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332246428 565821117 /nfs/dbraw/zinc/82/11/17/565821117.db2.gz BMDNBOSLRJYLBG-MRVPVSSYSA-N 0 1 386.633 3.211 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000332257259 565822455 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CCOCCCc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000283756051 565829502 /nfs/dbraw/zinc/82/95/02/565829502.db2.gz ASSACKNMLLUYET-UHFFFAOYSA-N 0 1 378.230 3.253 20 0 GGADMN CCCNC(=O)C1(NCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000177119511 565829808 /nfs/dbraw/zinc/82/98/08/565829808.db2.gz GFJHZZCKZJKTJK-UHFFFAOYSA-N 0 1 396.329 3.206 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000194674601 565830097 /nfs/dbraw/zinc/83/00/97/565830097.db2.gz RMVYOUVLDSZMEW-CYBMUJFWSA-N 0 1 381.881 3.236 20 0 GGADMN NC(=O)C1(NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCCCC1 ZINC000177125205 565830795 /nfs/dbraw/zinc/83/07/95/565830795.db2.gz XCRPCGWTTSZJAJ-UHFFFAOYSA-N 0 1 378.687 3.363 20 0 GGADMN O=C(c1cc(Br)ccc1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332358052 565832237 /nfs/dbraw/zinc/83/22/37/565832237.db2.gz ULSHULBZYHDQMI-QMMMGPOBSA-N 0 1 386.633 3.211 20 0 GGADMN COCc1ncsc1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000283866100 565833786 /nfs/dbraw/zinc/83/37/86/565833786.db2.gz IRDSXGUZMBMOFP-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN CC(C)N1CC[C@@H](Sc2nc(-c3ccccc3Br)n[nH]2)C1=O ZINC000177194012 565834711 /nfs/dbraw/zinc/83/47/11/565834711.db2.gz QVSXADGBQMYUFY-GFCCVEGCSA-N 0 1 381.299 3.336 20 0 GGADMN COc1ccc(Br)c(CC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000332404306 565835417 /nfs/dbraw/zinc/83/54/17/565835417.db2.gz OGTJBLTUUAZVRC-UHFFFAOYSA-N 0 1 392.297 3.438 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc([C@@H]4CCCOC4)n3)n2)c1 ZINC000283933040 565835861 /nfs/dbraw/zinc/83/58/61/565835861.db2.gz NHFKDXCJNMXWEW-SNVBAGLBSA-N 0 1 376.214 3.178 20 0 GGADMN O=C(CCc1nc[nH]n1)NCCCCSc1ccccc1Br ZINC000177215621 565835943 /nfs/dbraw/zinc/83/59/43/565835943.db2.gz OMZHKLHWJIMHGP-UHFFFAOYSA-N 0 1 383.315 3.189 20 0 GGADMN CCc1c(NC(=O)CCc2nc[nH]n2)n[nH]c1-c1ccc(Br)cc1 ZINC000177208943 565836407 /nfs/dbraw/zinc/83/64/07/565836407.db2.gz PEBMJRWNEDUDBL-UHFFFAOYSA-N 0 1 389.257 3.091 20 0 GGADMN COc1ccc(CN(C)C[C@H](O)COc2ccc(Br)cc2)cc1O ZINC000177227004 565837711 /nfs/dbraw/zinc/83/77/11/565837711.db2.gz TYURLVBUENSSPB-HNNXBMFYSA-N 0 1 396.281 3.035 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000332485155 565840249 /nfs/dbraw/zinc/84/02/49/565840249.db2.gz ZKOUYPAJILUBQM-IINYFYTJSA-N 0 1 383.279 3.378 20 0 GGADMN Brc1cccc(C2(CN[C@H](c3nnc[nH]3)c3cccnc3)CC2)c1 ZINC000284081119 565840559 /nfs/dbraw/zinc/84/05/59/565840559.db2.gz LTYRHWQOIOHMIY-INIZCTEOSA-N 0 1 384.281 3.373 20 0 GGADMN COCC1(C)CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000332520547 565841690 /nfs/dbraw/zinc/84/16/90/565841690.db2.gz PHXFBVCWZRWAJI-UHFFFAOYSA-N 0 1 393.281 3.179 20 0 GGADMN COCCC1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CC1 ZINC000284097944 565842271 /nfs/dbraw/zinc/84/22/71/565842271.db2.gz WAABUPATWYELLI-UHFFFAOYSA-N 0 1 390.241 3.352 20 0 GGADMN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332524492 565843133 /nfs/dbraw/zinc/84/31/33/565843133.db2.gz RFXCSTMTQURLCT-VHSXEESVSA-N 0 1 392.253 3.067 20 0 GGADMN Cc1cc([C@H](C)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)no1 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3.196 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnc(OC)c(Cl)c2)c1 ZINC000284319237 565849246 /nfs/dbraw/zinc/84/92/46/565849246.db2.gz LRUNKCZUFIGGKS-NWDGAFQWSA-N 0 1 383.901 3.064 20 0 GGADMN O=C1[C@@H](Nc2ccc3cc(Br)c(F)cc3n2)C[C@H]2CCCCN12 ZINC000413381347 565849421 /nfs/dbraw/zinc/84/94/21/565849421.db2.gz OBNXYWHNWHNXJT-ABAIWWIYSA-N 0 1 378.245 3.124 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)n2)o1 ZINC000194934407 565849729 /nfs/dbraw/zinc/84/97/29/565849729.db2.gz QVIDERBMOVZBCP-CYBMUJFWSA-N 0 1 389.209 3.078 20 0 GGADMN COC(=O)[C@@]1(C)CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000177420780 565850005 /nfs/dbraw/zinc/85/00/05/565850005.db2.gz YPJOGVWCGKYMMX-KRWDZBQOSA-N 0 1 379.254 3.489 20 0 GGADMN COC(=O)[C@]1(C)CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000177433388 565850549 /nfs/dbraw/zinc/85/05/49/565850549.db2.gz HWIOCEPQQNNZFZ-QGZVFWFLSA-N 0 1 379.254 3.489 20 0 GGADMN COC(=O)c1ccc(C[NH2+]CCCCn2cc[nH+]c2C)c(Br)c1 ZINC000284414538 565852324 /nfs/dbraw/zinc/85/23/24/565852324.db2.gz QTYZXAOKEUCZFX-UHFFFAOYSA-N 0 1 380.286 3.311 20 0 GGADMN CC(C)(C)c1ncc(CNC[C@H](O)COc2ccccc2Br)cn1 ZINC000284432014 565854151 /nfs/dbraw/zinc/85/41/51/565854151.db2.gz SAHXEUHKIISWAV-AWEZNQCLSA-N 0 1 394.313 3.066 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ncccc1Br ZINC000195026753 565854532 /nfs/dbraw/zinc/85/45/32/565854532.db2.gz KMYVGBVSFNTNFA-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Cc1cc(CCC(=O)N2CCN(C3CCOCC3)CC2)ccc1Br ZINC000177535812 565857057 /nfs/dbraw/zinc/85/70/57/565857057.db2.gz ZXIKYGQERYDWEU-UHFFFAOYSA-N 0 1 395.341 3.013 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000284570708 565859851 /nfs/dbraw/zinc/85/98/51/565859851.db2.gz KIIGIYRPANDIAB-UHFFFAOYSA-N 0 1 377.754 3.154 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2N)N(C)C)c1 ZINC000177582516 565861233 /nfs/dbraw/zinc/86/12/33/565861233.db2.gz SPKVDWNGDUIFDP-KRWDZBQOSA-N 0 1 392.297 3.073 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000284598254 565861241 /nfs/dbraw/zinc/86/12/41/565861241.db2.gz MTBYSYDYTBLCLH-OLZOCXBDSA-N 0 1 399.676 3.131 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)[C@]12CCCO2 ZINC000333031320 565861337 /nfs/dbraw/zinc/86/13/37/565861337.db2.gz OIIKXQMZZWSIHW-PBFPGSCMSA-N 0 1 381.885 3.248 20 0 GGADMN O=S(=O)(Cc1ccccc1OC(F)F)c1n[nH]c(Cc2cccs2)n1 ZINC000195157439 565862267 /nfs/dbraw/zinc/86/22/67/565862267.db2.gz RJXKHYVNRXIGOS-UHFFFAOYSA-N 0 1 385.417 3.032 20 0 GGADMN O=S(=O)(Cc1cc(-c2cccs2)on1)c1n[nH]c(Cc2cccs2)n1 ZINC000195160273 565862597 /nfs/dbraw/zinc/86/25/97/565862597.db2.gz INGBZHCZNWPUIC-UHFFFAOYSA-N 0 1 392.487 3.147 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000284669580 565864406 /nfs/dbraw/zinc/86/44/06/565864406.db2.gz VHOYDPBXRMDEIB-MFKMUULPSA-N 0 1 399.676 3.131 20 0 GGADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC(c2cnc[nH]2)CC1 ZINC000333087976 565864536 /nfs/dbraw/zinc/86/45/36/565864536.db2.gz YWUCTTGLJZOICS-UHFFFAOYSA-N 0 1 378.263 3.313 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000333078891 565864697 /nfs/dbraw/zinc/86/46/97/565864697.db2.gz AKYVOBWNMHMJJG-RWMBFGLXSA-N 0 1 378.270 3.092 20 0 GGADMN O=C(NC[C@H]1CCOC2(CCC2)C1)c1n[nH]c2ccc(Br)cc21 ZINC000333080565 565864804 /nfs/dbraw/zinc/86/48/04/565864804.db2.gz LZGHJZKIWSNRNM-NSHDSACASA-N 0 1 378.270 3.405 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000284682278 565865538 /nfs/dbraw/zinc/86/55/38/565865538.db2.gz WTCSDLVVEMNQIU-HIFRSBDPSA-N 0 1 383.279 3.341 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sc1C ZINC000333107717 565865656 /nfs/dbraw/zinc/86/56/56/565865656.db2.gz DVHQWCOZEHMQNC-HIFRSBDPSA-N 0 1 385.580 3.183 20 0 GGADMN O=S(=O)(C[C@H]1CCOC1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333095600 565865883 /nfs/dbraw/zinc/86/58/83/565865883.db2.gz BRGLRZFXUANSEQ-LRDDRELGSA-N 0 1 383.901 3.110 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C(=O)c2[nH]nc3ccc(Cl)cc32)CC1 ZINC000284742606 565868248 /nfs/dbraw/zinc/86/82/48/565868248.db2.gz QPLPMCPBJXRGGB-NSHDSACASA-N 0 1 375.885 3.192 20 0 GGADMN COCC[C@@H](NCC(=O)Nc1cc(C)nn1C)c1ccc(Cl)c(Cl)c1 ZINC000284762316 565868825 /nfs/dbraw/zinc/86/88/25/565868825.db2.gz MDHVTXKHULSEOQ-OAHLLOKOSA-N 0 1 385.295 3.341 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000195256140 565869595 /nfs/dbraw/zinc/86/95/95/565869595.db2.gz YXYSRUOGDINITE-HKUYNNGSSA-N 0 1 389.293 3.223 20 0 GGADMN O=S1(=O)CCC[C@@H](CN2CCC(c3cccc(Br)c3)CC2)C1 ZINC000284787327 565870042 /nfs/dbraw/zinc/87/00/42/565870042.db2.gz NSWWZCBXPSRHMB-AWEZNQCLSA-N 0 1 386.355 3.453 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177757360 565871229 /nfs/dbraw/zinc/87/12/29/565871229.db2.gz UOAJZRJYZQSDQR-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CS[C@H](C)C2)CC1 ZINC000413729941 565871263 /nfs/dbraw/zinc/87/12/63/565871263.db2.gz UXPTZJBGWWLLQN-UKRRQHHQSA-N 0 1 382.961 3.497 20 0 GGADMN O=S1(=O)CCC[C@H](CN2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000284804625 565871655 /nfs/dbraw/zinc/87/16/55/565871655.db2.gz OWTYJVXGOXKPKY-CQSZACIVSA-N 0 1 386.355 3.453 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177755031 565871895 /nfs/dbraw/zinc/87/18/95/565871895.db2.gz XXPFXJMJVUFPEM-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177757375 565871944 /nfs/dbraw/zinc/87/19/44/565871944.db2.gz UOAJZRJYZQSDQR-CYBMUJFWSA-N 0 1 386.323 3.117 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000333227482 565872710 /nfs/dbraw/zinc/87/27/10/565872710.db2.gz GBDLYPUIEUXIHT-UHFFFAOYSA-N 0 1 392.304 3.273 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N[C@@H](c2cncc(Br)c2)C2CC2)on1 ZINC000284825892 565873002 /nfs/dbraw/zinc/87/30/02/565873002.db2.gz QCWOTXIZDOWKDQ-MEBBXXQBSA-N 0 1 379.258 3.208 20 0 GGADMN O=S(=O)(CCN[C@H]1CCSc2ccc(F)cc21)NCc1ccccc1 ZINC000177768241 565873185 /nfs/dbraw/zinc/87/31/85/565873185.db2.gz HPKNKPDPTCUAHZ-KRWDZBQOSA-N 0 1 380.510 3.072 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Br)cs2)c1 ZINC000195304455 565874176 /nfs/dbraw/zinc/87/41/76/565874176.db2.gz VFGRJZJZXRLDCB-UHFFFAOYSA-N 0 1 390.280 3.262 20 0 GGADMN O=C(CCN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1cc(Cl)ccc1Cl ZINC000284888708 565874911 /nfs/dbraw/zinc/87/49/11/565874911.db2.gz SJCVKJNDFCHNHR-XKQJLSEDSA-N 0 1 387.307 3.184 20 0 GGADMN O=C(Cc1n[nH]c2ccccc21)Nc1ccc(F)cc1I ZINC000177818671 565875317 /nfs/dbraw/zinc/87/53/17/565875317.db2.gz OWRJRXZXWRQGEV-UHFFFAOYSA-N 0 1 395.175 3.488 20 0 GGADMN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1Br ZINC000284906969 565876071 /nfs/dbraw/zinc/87/60/71/565876071.db2.gz SRHJHIKRROJMCC-CDHAZOANSA-N 0 1 391.313 3.195 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000284904520 565876219 /nfs/dbraw/zinc/87/62/19/565876219.db2.gz AQWDFQMPBNNEOV-UHFFFAOYSA-N 0 1 387.228 3.191 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000195330958 565876987 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C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000333367368 565879718 /nfs/dbraw/zinc/87/97/18/565879718.db2.gz YSNCFZFFFRDOOQ-KGLIPLIRSA-N 0 1 390.307 3.003 20 0 GGADMN Cc1nc(C)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000177896228 565879850 /nfs/dbraw/zinc/87/98/50/565879850.db2.gz ZDWUYSSJTQLVDJ-ZDUSSCGKSA-N 0 1 379.551 3.395 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000195395340 565880236 /nfs/dbraw/zinc/88/02/36/565880236.db2.gz HAPOPZUQVBZKLH-MRXNPFEDSA-N 0 1 376.254 3.263 20 0 GGADMN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000333406425 565880625 /nfs/dbraw/zinc/88/06/25/565880625.db2.gz CKMSNBHAFQPANF-ZBEGNZNMSA-N 0 1 377.897 3.395 20 0 GGADMN Cc1cc([C@@H]2CCCN(S(=O)(=O)C3CCC(C(F)(F)F)CC3)C2)n[nH]1 ZINC000333423887 565881416 /nfs/dbraw/zinc/88/14/16/565881416.db2.gz MLJATRFJESEZJO-IYXRBSQSSA-N 0 1 379.448 3.348 20 0 GGADMN Cc1cn2c(CNCCS(=O)(=O)c3ccc(Cl)cc3)c(C)nc2s1 ZINC000195422647 565881404 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O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc(Br)cn1 ZINC000333521796 565886075 /nfs/dbraw/zinc/88/60/75/565886075.db2.gz ZLTOAIDVJXBYLN-BZUAXINKSA-N 0 1 396.329 3.188 20 0 GGADMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000333564340 565888369 /nfs/dbraw/zinc/88/83/69/565888369.db2.gz XAOMUQLLFDGPLX-ZFWWWQNUSA-N 0 1 389.297 3.229 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c1 ZINC000333609435 565888978 /nfs/dbraw/zinc/88/89/78/565888978.db2.gz RUBMYAIHGUQIGQ-UHFFFAOYSA-N 0 1 389.297 3.035 20 0 GGADMN OCCn1nccc1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000195509084 565889000 /nfs/dbraw/zinc/88/90/00/565889000.db2.gz QANWIENLQNMFOE-UHFFFAOYSA-N 0 1 384.307 3.441 20 0 GGADMN Cc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(Br)s1 ZINC000333623889 565890083 /nfs/dbraw/zinc/89/00/83/565890083.db2.gz UTFRGDWEVLNEFZ-UHFFFAOYSA-N 0 1 395.326 3.096 20 0 GGADMN CN(C[C@H](O)COc1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195594353 565890578 /nfs/dbraw/zinc/89/05/78/565890578.db2.gz MGESHFNLPDMHCI-FASAQXTFSA-N 0 1 382.287 3.323 20 0 GGADMN NC1(c2noc(-c3cc(Br)c4c(c3)OCCO4)n2)CCCCC1 ZINC000333656257 565891734 /nfs/dbraw/zinc/89/17/34/565891734.db2.gz ZXQSHWFSRUQCPV-UHFFFAOYSA-N 0 1 380.242 3.388 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1CCOc1cc(Cl)ccc1Cl ZINC000195666672 565891764 /nfs/dbraw/zinc/89/17/64/565891764.db2.gz TZRGTXXBNOHNBY-CQSZACIVSA-N 0 1 395.352 3.166 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccsc1 ZINC000178046399 565891971 /nfs/dbraw/zinc/89/19/71/565891971.db2.gz OJVHJWCWNVTLNK-PBHICJAKSA-N 0 1 380.535 3.056 20 0 GGADMN C[C@@H]1[C@@H](CO)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000414083381 565893304 /nfs/dbraw/zinc/89/33/04/565893304.db2.gz VMIARFYGMAMJQU-DGCLKSJQSA-N 0 1 378.270 3.072 20 0 GGADMN O=C(CSc1cc(Cl)ccc1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178069215 565894469 /nfs/dbraw/zinc/89/44/69/565894469.db2.gz HTGLFGMAMLXQGP-CYBMUJFWSA-N 0 1 389.348 3.266 20 0 GGADMN COc1c(C)cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1C ZINC000285238324 565895728 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O=C(Nc1cc(Br)ccn1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000285320568 565900427 /nfs/dbraw/zinc/90/04/27/565900427.db2.gz UMTQVACZQMDQMC-LLVKDONJSA-N 0 1 391.273 3.251 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1Br ZINC000218771667 565900732 /nfs/dbraw/zinc/90/07/32/565900732.db2.gz FXSDZLSXQUJWRZ-SNVBAGLBSA-N 0 1 388.103 3.178 20 0 GGADMN COC(=O)c1cnc([C@@H](C)NCCCCn2cc(Br)cn2)s1 ZINC000414160181 565900647 /nfs/dbraw/zinc/90/06/47/565900647.db2.gz ZGPBOLRHDNUREN-SNVBAGLBSA-N 0 1 387.303 3.020 20 0 GGADMN COc1ccc([C@@H](CO)CN[C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000414186196 565901959 /nfs/dbraw/zinc/90/19/59/565901959.db2.gz PEHGIDBPQUMBPG-WCQYABFASA-N 0 1 383.261 3.419 20 0 GGADMN Cc1noc(C)c1C[C@@H](C)NCc1ncc(I)s1 ZINC000285352576 565902269 /nfs/dbraw/zinc/90/22/69/565902269.db2.gz ACISKNXHRLFSSR-SSDOTTSWSA-N 0 1 377.251 3.073 20 0 GGADMN CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2sccc2Cl)[C@@H]1O ZINC000333918540 565902380 /nfs/dbraw/zinc/90/23/80/565902380.db2.gz OHVUQKIYWRRZOF-KOLCDFICSA-N 0 1 379.912 3.015 20 0 GGADMN COc1cccc(CNCCn2cc(Br)cn2)c1OC(F)F ZINC000285370447 565903710 /nfs/dbraw/zinc/90/37/10/565903710.db2.gz BXOJGVBQRAJKKO-UHFFFAOYSA-N 0 1 376.201 3.045 20 0 GGADMN COCCNC(=O)C1(N[C@H](C)c2ccc(SCC(F)(F)F)cc2)CC1 ZINC000414212471 565904523 /nfs/dbraw/zinc/90/45/23/565904523.db2.gz QDBICVYTMINVOH-GFCCVEGCSA-N 0 1 376.444 3.287 20 0 GGADMN C[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CS1 ZINC000414220130 565904597 /nfs/dbraw/zinc/90/45/97/565904597.db2.gz BSDHMYPGSZEQEY-SUZMYJTESA-N 0 1 376.341 3.151 20 0 GGADMN COc1ccc([C@@H](C)NCCC(C)(C)S(C)(=O)=O)c(Br)c1 ZINC000414246975 565905423 /nfs/dbraw/zinc/90/54/23/565905423.db2.gz CBBGGTAXFDJRQI-LLVKDONJSA-N 0 1 378.332 3.322 20 0 GGADMN C[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccccc1I ZINC000414256020 565906218 /nfs/dbraw/zinc/90/62/18/565906218.db2.gz KVSMJBXKIFDUNM-NSHDSACASA-N 0 1 395.306 3.155 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1Cl ZINC000414283021 565908714 /nfs/dbraw/zinc/90/87/14/565908714.db2.gz OPPNUBLOLXHEKK-AWEZNQCLSA-N 0 1 386.901 3.453 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000334016614 565908738 /nfs/dbraw/zinc/90/87/38/565908738.db2.gz ZKLRSRIEIWZCMX-GZBFAFLISA-N 0 1 390.281 3.072 20 0 GGADMN Cn1nc(-c2ccccc2)c(CNCC2(S(C)(=O)=O)CCCC2)c1Cl ZINC000285466184 565909042 /nfs/dbraw/zinc/90/90/42/565909042.db2.gz KEYSYGHLVJLASP-UHFFFAOYSA-N 0 1 381.929 3.188 20 0 GGADMN COC1([C@@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1 ZINC000414298928 565909696 /nfs/dbraw/zinc/90/96/96/565909696.db2.gz HOODUEZSRDHLPR-BXUZGUMPSA-N 0 1 388.327 3.215 20 0 GGADMN COC1([C@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1 ZINC000414298935 565909755 /nfs/dbraw/zinc/90/97/55/565909755.db2.gz HOODUEZSRDHLPR-SMDDNHRTSA-N 0 1 388.327 3.215 20 0 GGADMN Ic1cnc(CNCCCc2nc3ccccc3[nH]2)s1 ZINC000285489281 565910149 /nfs/dbraw/zinc/91/01/49/565910149.db2.gz PEJVVRPHQXGFSN-UHFFFAOYSA-N 0 1 398.273 3.346 20 0 GGADMN Ic1cnc(CNC[C@H]2CCN(c3ccccc3)C2)s1 ZINC000285502418 565910307 /nfs/dbraw/zinc/91/03/07/565910307.db2.gz QGQNHMGCSBANAX-GFCCVEGCSA-N 0 1 399.301 3.364 20 0 GGADMN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1cc(Br)ccc1F ZINC000414325459 565911171 /nfs/dbraw/zinc/91/11/71/565911171.db2.gz KEEZJIGKLNKXPL-LLVKDONJSA-N 0 1 378.307 3.454 20 0 GGADMN CN(CCCN(C)S(=O)(=O)c1ccc(Cl)nc1Cl)Cc1ccco1 ZINC000285518691 565911693 /nfs/dbraw/zinc/91/16/93/565911693.db2.gz RNZKJYOTIDPWGK-UHFFFAOYSA-N 0 1 392.308 3.124 20 0 GGADMN COCCCNC(=O)C1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000178324817 565912150 /nfs/dbraw/zinc/91/21/50/565912150.db2.gz XJYGTNLVDYXNFZ-CQSZACIVSA-N 0 1 383.330 3.375 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NCc2cncn2C)C1=O ZINC000285518269 565912112 /nfs/dbraw/zinc/91/21/12/565912112.db2.gz OTODQUUAQYUXGD-MRXNPFEDSA-N 0 1 391.313 3.085 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000178346715 565913809 /nfs/dbraw/zinc/91/38/09/565913809.db2.gz RYFAJAHSIPGRJF-JTQLQIEISA-N 0 1 395.219 3.375 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC000285575276 565914280 /nfs/dbraw/zinc/91/42/80/565914280.db2.gz BDEJEANJHBZNIE-JLLWLGSASA-N 0 1 380.901 3.489 20 0 GGADMN CC(C)[C@H](N[C@H](C)c1cc(Br)ccc1F)C(=O)N1CCOCC1 ZINC000178360341 565915199 /nfs/dbraw/zinc/91/51/99/565915199.db2.gz HQFWRKDTCCUNCB-WBMJQRKESA-N 0 1 387.293 3.122 20 0 GGADMN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nn1 ZINC000414368177 565916313 /nfs/dbraw/zinc/91/63/13/565916313.db2.gz CDEICLJQLNHVTK-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CCOC(=O)CC1(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000414379076 565918115 /nfs/dbraw/zinc/91/81/15/565918115.db2.gz FPZRDWMIFOIDNA-UHFFFAOYSA-N 0 1 383.800 3.169 20 0 GGADMN CN(CCC(=O)NCc1ccccc1Cl)Cc1ccc([S@](C)=O)cc1 ZINC000178428588 565918418 /nfs/dbraw/zinc/91/84/18/565918418.db2.gz RANLYDZUYUYISQ-VWLOTQADSA-N 0 1 378.925 3.216 20 0 GGADMN Cn1cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000414376634 565918895 /nfs/dbraw/zinc/91/88/95/565918895.db2.gz UXFUSBWRXRZTBW-UHFFFAOYSA-N 0 1 381.885 3.105 20 0 GGADMN Cc1cc(C)n(-c2ccccc2CNCc2ccc(S(C)(=O)=O)s2)n1 ZINC000414381534 565919140 /nfs/dbraw/zinc/91/91/40/565919140.db2.gz PYZSQHHBIXETDB-UHFFFAOYSA-N 0 1 375.519 3.244 20 0 GGADMN CCN(C(=O)c1cc(NS(=O)(=O)c2cccn2C)ccc1Cl)C(C)C ZINC000414381429 565919914 /nfs/dbraw/zinc/91/99/14/565919914.db2.gz LYOPFEKPUCJAIF-UHFFFAOYSA-N 0 1 383.901 3.350 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccn2C)cc1Cl ZINC000414383988 565920931 /nfs/dbraw/zinc/92/09/31/565920931.db2.gz SPQJLUNGWRDSQO-UHFFFAOYSA-N 0 1 383.901 3.398 20 0 GGADMN CSc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Cl ZINC000414391492 565921681 /nfs/dbraw/zinc/92/16/81/565921681.db2.gz BMFDOLDKKOYDOY-UHFFFAOYSA-N 0 1 399.925 3.427 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cnc2ccsc2c1 ZINC000178502314 565921737 /nfs/dbraw/zinc/92/17/37/565921737.db2.gz TWLUMAXCCBSTSA-CYBMUJFWSA-N 0 1 375.519 3.397 20 0 GGADMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cnoc2C2CC2)c1 ZINC000414390032 565922295 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CCN(CC)[C@@H](CN1C(=O)[C@H]2CSCCN2C1=O)c1ccccc1Cl ZINC000349274705 565925236 /nfs/dbraw/zinc/92/52/36/565925236.db2.gz CKZDSXCTGSMADP-JKSUJKDBSA-N 0 1 381.929 3.103 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Cl)cc(F)c2Br)n[nH]1 ZINC000285776701 565925786 /nfs/dbraw/zinc/92/57/86/565925786.db2.gz WMBVKHKTZVOYIL-ZCFIWIBFSA-N 0 1 375.629 3.413 20 0 GGADMN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178583720 565927134 /nfs/dbraw/zinc/92/71/34/565927134.db2.gz RWHSTBWFNXBVTI-LBPRGKRZSA-N 0 1 376.806 3.153 20 0 GGADMN CCC[C@H](CCO)CNCc1ncc(Br)cc1Br ZINC000230556628 565928715 /nfs/dbraw/zinc/92/87/15/565928715.db2.gz LDKZNWZOGRJLOG-SNVBAGLBSA-N 0 1 380.124 3.495 20 0 GGADMN Cc1cnn(C)c1CNCc1ccc(I)c(Cl)c1 ZINC000285830234 565929277 /nfs/dbraw/zinc/92/92/77/565929277.db2.gz HESCVKWNYRNBAX-UHFFFAOYSA-N 0 1 375.641 3.276 20 0 GGADMN COc1ccccc1[C@H](CNCc1ccc(S(C)(=O)=O)s1)OC(C)C ZINC000414426666 565930133 /nfs/dbraw/zinc/93/01/33/565930133.db2.gz CTRBHLICCKZNSV-KRWDZBQOSA-N 0 1 383.535 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C[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1)Oc1ccccc1Br ZINC000237473172 565960601 /nfs/dbraw/zinc/96/06/01/565960601.db2.gz UWAKSVPBCWSVCL-CXAGYDPISA-N 0 1 389.293 3.047 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000286448246 565960551 /nfs/dbraw/zinc/96/05/51/565960551.db2.gz MEXFCCHGMMVJSQ-BBRMVZONSA-N 0 1 387.293 3.002 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000286448256 565960621 /nfs/dbraw/zinc/96/06/21/565960621.db2.gz MEXFCCHGMMVJSQ-XJKSGUPXSA-N 0 1 387.293 3.002 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(Br)cc(C(F)(F)F)c2)n[nH]1 ZINC000286469663 565962274 /nfs/dbraw/zinc/96/22/74/565962274.db2.gz UDXFDJBZXNNQSY-LURJTMIESA-N 0 1 377.164 3.385 20 0 GGADMN Cc1nc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)n[nH]1 ZINC000286475124 565962926 /nfs/dbraw/zinc/96/29/26/565962926.db2.gz UMQNEOHNNAELRG-QMMMGPOBSA-N 0 1 387.665 3.175 20 0 GGADMN CC1(C)C[C@@H](NC(=O)CSc2n[nH]c(=S)s2)c2ccc(F)cc2O1 ZINC000360872460 565963182 /nfs/dbraw/zinc/96/31/82/565963182.db2.gz 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ZINC000180002971 566024594 /nfs/dbraw/zinc/02/45/94/566024594.db2.gz BASDYYADALXVCK-ZCFIWIBFSA-N 0 1 378.152 3.469 20 0 GGADMN Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)cc1Br ZINC000246261855 566024544 /nfs/dbraw/zinc/02/45/44/566024544.db2.gz UHMYWLBFGOGHGT-UKRRQHHQSA-N 0 1 389.359 3.027 20 0 GGADMN CC[C@H]1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000180010487 566025541 /nfs/dbraw/zinc/02/55/41/566025541.db2.gz BKYVTJXTOGEPAO-JTQLQIEISA-N 0 1 396.228 3.005 20 0 GGADMN CCN(C[C@@H]1CCN(CC(=O)N[C@H](C)c2cccs2)C1)CC(F)(F)F ZINC000246297215 566026038 /nfs/dbraw/zinc/02/60/38/566026038.db2.gz YHVDNGCCBXBSRT-KGLIPLIRSA-N 0 1 377.476 3.131 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CCCc3occc32)sc1Br ZINC000180057063 566028958 /nfs/dbraw/zinc/02/89/58/566028958.db2.gz SZGYYQRYWHZCBL-VIFPVBQESA-N 0 1 377.285 3.163 20 0 GGADMN C[C@@H]1C[C@H](N[C@H]2CCN(c3cnn(C)c3)C2=O)c2cccc(Br)c21 ZINC000246471811 566029868 /nfs/dbraw/zinc/02/98/68/566029868.db2.gz QOQPIZYOGBKFME-RLCCDNCMSA-N 0 1 389.297 3.126 20 0 GGADMN CN(CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246471620 566030022 /nfs/dbraw/zinc/03/00/22/566030022.db2.gz FYPCBVNOTWGWCT-HZPDHXFCSA-N 0 1 379.444 3.415 20 0 GGADMN CN(CCc1cccc(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246471633 566030361 /nfs/dbraw/zinc/03/03/61/566030361.db2.gz FYPCBVNOTWGWCT-JKSUJKDBSA-N 0 1 379.444 3.415 20 0 GGADMN CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180077811 566030463 /nfs/dbraw/zinc/03/04/63/566030463.db2.gz FERWZFRWUHLRRR-RKDXNWHRSA-N 0 1 385.374 3.167 20 0 GGADMN Cc1nc(S(=O)(=O)NC2CCC(OC(C)C)CC2)sc1Br ZINC000180114046 566033847 /nfs/dbraw/zinc/03/38/47/566033847.db2.gz AMCXCWKISVCLCH-UHFFFAOYSA-N 0 1 397.360 3.229 20 0 GGADMN CN(CC1CCS(=O)(=O)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000364128059 566036231 /nfs/dbraw/zinc/03/62/31/566036231.db2.gz SIAFKZWAGYKXBT-HNNXBMFYSA-N 0 1 388.327 3.029 20 0 GGADMN Cc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)n[nH]1 ZINC000287709506 566036276 /nfs/dbraw/zinc/03/62/76/566036276.db2.gz ANNKAJJGZZLMNT-VIFPVBQESA-N 0 1 381.889 3.083 20 0 GGADMN COc1ccc(Br)cc1C1(C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000416133496 566036431 /nfs/dbraw/zinc/03/64/31/566036431.db2.gz MWDAMZGHHXLHFF-UHFFFAOYSA-N 0 1 393.325 3.044 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CCN1C[C@@H](C)O ZINC000246714468 566038301 /nfs/dbraw/zinc/03/83/01/566038301.db2.gz DCPHFWCUXGHGFP-LUYZLQTOSA-N 0 1 385.335 3.401 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246731033 566038725 /nfs/dbraw/zinc/03/87/25/566038725.db2.gz MEYHPANSASYFPM-IAOVAPTHSA-N 0 1 383.319 3.278 20 0 GGADMN NC(=O)[C@H](NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(Br)cc1F ZINC000246761662 566039397 /nfs/dbraw/zinc/03/93/97/566039397.db2.gz HSUBGWDBSBAEFN-JOCBIADPSA-N 0 1 389.268 3.290 20 0 GGADMN Cn1cc(C[C@H]2CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C2)cn1 ZINC000364235604 566039385 /nfs/dbraw/zinc/03/93/85/566039385.db2.gz JGSLMKYTIAGBTB-LLVKDONJSA-N 0 1 375.885 3.230 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C2(c3cc(Br)ccc3OC)CC2)n[nH]1 ZINC000416186085 566043198 /nfs/dbraw/zinc/04/31/98/566043198.db2.gz YSYNWFVBZOUXKO-JTQLQIEISA-N 0 1 393.285 3.047 20 0 GGADMN CN(Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCCc2c1cnn2C ZINC000180208961 566043731 /nfs/dbraw/zinc/04/37/31/566043731.db2.gz GRJLTHJNRKXFGG-OAHLLOKOSA-N 0 1 392.297 3.463 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2c(C)cc(Br)cc2C)CCN1C[C@H](C)O ZINC000246869240 566044049 /nfs/dbraw/zinc/04/40/49/566044049.db2.gz CYGQNSVMLFCYEB-HOCLYGCPSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCC2(c3ccc(Br)s3)CCC2)n[nH]1 ZINC000287860295 566044929 /nfs/dbraw/zinc/04/49/29/566044929.db2.gz DVBLWGDAIMRWQJ-VIFPVBQESA-N 0 1 398.330 3.419 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000364334519 566044941 /nfs/dbraw/zinc/04/49/41/566044941.db2.gz FZPUTXGZNXCGGI-WBVHZDCISA-N 0 1 394.313 3.279 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000180213938 566045111 /nfs/dbraw/zinc/04/51/11/566045111.db2.gz QTIXFGQYEPGRHK-UHFFFAOYSA-N 0 1 393.223 3.423 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)oc1C ZINC000180212057 566045523 /nfs/dbraw/zinc/04/55/23/566045523.db2.gz NEESAZOHMFVJNH-UHFFFAOYSA-N 0 1 379.221 3.186 20 0 GGADMN COCCCONC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000287894083 566046463 /nfs/dbraw/zinc/04/64/63/566046463.db2.gz RROFJSIYTZTBES-UHFFFAOYSA-N 0 1 391.312 3.261 20 0 GGADMN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000287897418 566046728 /nfs/dbraw/zinc/04/67/28/566046728.db2.gz CEMQKDJOVHWQID-UHFFFAOYSA-N 0 1 395.790 3.275 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)C1CCN(CC(F)F)CC1 ZINC000287905085 566047387 /nfs/dbraw/zinc/04/73/87/566047387.db2.gz FRQFKXNPVDFFIH-UHFFFAOYSA-N 0 1 387.228 3.241 20 0 GGADMN C[C@H](NC[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000180255603 566047507 /nfs/dbraw/zinc/04/75/07/566047507.db2.gz BYOJDBSTGQPFGE-SGTLLEGYSA-N 0 1 385.888 3.441 20 0 GGADMN O=S(=O)(N[C@@H]1CCOC2(CCSCC2)C1)c1c(Cl)ccc(F)c1F ZINC000287929348 566049010 /nfs/dbraw/zinc/04/90/10/566049010.db2.gz VCFDCKJDHNCMNR-SNVBAGLBSA-N 0 1 397.896 3.341 20 0 GGADMN C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000246987193 566049272 /nfs/dbraw/zinc/04/92/72/566049272.db2.gz KAUQFYUJTSUEBS-CRICUBBOSA-N 0 1 381.925 3.087 20 0 GGADMN CN(Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000246987193 566049277 /nfs/dbraw/zinc/04/92/77/566049277.db2.gz KAUQFYUJTSUEBS-CRICUBBOSA-N 0 1 381.925 3.087 20 0 GGADMN CCN(C)CCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180270589 566049274 /nfs/dbraw/zinc/04/92/74/566049274.db2.gz BIFUGQRNSBIQRV-LJQANCHMSA-N 0 1 380.941 3.374 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CCO2)n[nH]1 ZINC000247033608 566050336 /nfs/dbraw/zinc/05/03/36/566050336.db2.gz XJNFZZHLIRYVOY-ZNMIVQPWSA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)n[nH]1 ZINC000287996491 566050820 /nfs/dbraw/zinc/05/08/20/566050820.db2.gz LEYZMUUXGOKPHD-VIFPVBQESA-N 0 1 381.889 3.083 20 0 GGADMN COC(=O)c1cc(Br)cc(NC(=O)CCCCc2cn[nH]n2)c1C ZINC000416274033 566050856 /nfs/dbraw/zinc/05/08/56/566050856.db2.gz HYBBZUQCALPOMA-UHFFFAOYSA-N 0 1 395.257 3.014 20 0 GGADMN NC(=O)[C@H](N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000247141333 566053679 /nfs/dbraw/zinc/05/36/79/566053679.db2.gz HTVDJTNEJCTVKJ-SJLPKXTDSA-N 0 1 388.309 3.234 20 0 GGADMN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)[C@H]1COc2ccccc21 ZINC000247143477 566053815 /nfs/dbraw/zinc/05/38/15/566053815.db2.gz XFZMBVXREYAMOS-UXEPBGEESA-N 0 1 375.266 3.130 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000247207852 566054878 /nfs/dbraw/zinc/05/48/78/566054878.db2.gz CGQFRGQNGQSTFE-ZIAGYGMSSA-N 0 1 389.323 3.156 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@H]4CCCN4C[C@H]3C)s2)cs1 ZINC000247234538 566055962 /nfs/dbraw/zinc/05/59/62/566055962.db2.gz YNOVAVQFQLQNGM-DGCLKSJQSA-N 0 1 383.564 3.037 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247269215 566056638 /nfs/dbraw/zinc/05/66/38/566056638.db2.gz ZVTJUZZZUCNPOM-TXNHMLTKSA-N 0 1 383.510 3.378 20 0 GGADMN O=C(NCCNc1cccc(Br)c1)c1c[nH]c2ccccc2c1=O ZINC000180363684 566057894 /nfs/dbraw/zinc/05/78/94/566057894.db2.gz ZPYDBPNDJHNIGI-UHFFFAOYSA-N 0 1 386.249 3.133 20 0 GGADMN O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c([O-])c1 ZINC000180362541 566058240 /nfs/dbraw/zinc/05/82/40/566058240.db2.gz FSUDOPAVJSPEKK-UHFFFAOYSA-N 0 1 390.281 3.196 20 0 GGADMN C[C@@H](NCCOCC(F)(F)F)c1cc2c(cc1Br)OCCO2 ZINC000180461571 566063744 /nfs/dbraw/zinc/06/37/44/566063744.db2.gz GHGZACFDQJHFIC-SECBINFHSA-N 0 1 384.192 3.450 20 0 GGADMN C[C@H](NCCOCC(F)(F)F)c1cc2c(cc1Br)OCCO2 ZINC000180461555 566064121 /nfs/dbraw/zinc/06/41/21/566064121.db2.gz GHGZACFDQJHFIC-VIFPVBQESA-N 0 1 384.192 3.450 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000364679734 566064522 /nfs/dbraw/zinc/06/45/22/566064522.db2.gz WLLPHLLHVUIXNO-RHSMWYFYSA-N 0 1 393.325 3.355 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000247740818 566065375 /nfs/dbraw/zinc/06/53/75/566065375.db2.gz WWQQFQRWRICIAE-RWMBFGLXSA-N 0 1 386.323 3.017 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000180476538 566065528 /nfs/dbraw/zinc/06/55/28/566065528.db2.gz DCZXPRJTRZHLBJ-CYBMUJFWSA-N 0 1 381.325 3.125 20 0 GGADMN Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCS(=O)(=O)NC(C)C ZINC000180468095 566065551 /nfs/dbraw/zinc/06/55/51/566065551.db2.gz GGRJPLYKWUPQKJ-LBPRGKRZSA-N 0 1 385.530 3.236 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000247740815 566065604 /nfs/dbraw/zinc/06/56/04/566065604.db2.gz WWQQFQRWRICIAE-JHJVBQTASA-N 0 1 386.323 3.017 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCCS(=O)(=O)NC(C)C ZINC000180468140 566065586 /nfs/dbraw/zinc/06/55/86/566065586.db2.gz SGKHHOPMDJXGDG-AWEZNQCLSA-N 0 1 381.567 3.405 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000180468400 566065709 /nfs/dbraw/zinc/06/57/09/566065709.db2.gz DMPNGIADBXUJSQ-LBPRGKRZSA-N 0 1 384.489 3.319 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C)c1C ZINC000288284568 566065874 /nfs/dbraw/zinc/06/58/74/566065874.db2.gz RKJWETMJICKYHE-UHFFFAOYSA-N 0 1 382.873 3.294 20 0 GGADMN COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC[NH+](C)C ZINC000416421384 566066252 /nfs/dbraw/zinc/06/62/52/566066252.db2.gz BVRGLONPXGBLBI-UHFFFAOYSA-N 0 1 384.885 3.090 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000364734960 566066709 /nfs/dbraw/zinc/06/67/09/566066709.db2.gz RVZUBUXLTWNVTQ-AWEZNQCLSA-N 0 1 379.258 3.146 20 0 GGADMN C[C@H](NCCC(=O)NC1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000180483033 566066903 /nfs/dbraw/zinc/06/69/03/566066903.db2.gz LNIMNHRWIGJUJQ-LBPRGKRZSA-N 0 1 397.313 3.320 20 0 GGADMN Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1Cl ZINC000180522379 566069849 /nfs/dbraw/zinc/06/98/49/566069849.db2.gz QXDYJNPNPNDLSC-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C)cc1NC(=O)N(C)C ZINC000288383342 566071939 /nfs/dbraw/zinc/07/19/39/566071939.db2.gz ZPFHNHVINFGMOP-UHFFFAOYSA-N 0 1 382.873 3.246 20 0 GGADMN CN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000416465662 566072072 /nfs/dbraw/zinc/07/20/72/566072072.db2.gz ZPYFNAKWIPVWNR-ZDUSSCGKSA-N 0 1 380.897 3.158 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n[nH]1 ZINC000288400837 566072182 /nfs/dbraw/zinc/07/21/82/566072182.db2.gz MRNXEUIEUKHNLC-MWLCHTKSSA-N 0 1 383.283 3.059 20 0 GGADMN COC(=O)[C@@]1(C)CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180567759 566073384 /nfs/dbraw/zinc/07/33/84/566073384.db2.gz UZXZKOKHQYNNCR-HNNXBMFYSA-N 0 1 378.213 3.436 20 0 GGADMN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCN(CC(F)F)CC1 ZINC000180580044 566074816 /nfs/dbraw/zinc/07/48/16/566074816.db2.gz YCCMMKCCWIMEBK-ZDUSSCGKSA-N 0 1 383.266 3.006 20 0 GGADMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000288457928 566075215 /nfs/dbraw/zinc/07/52/15/566075215.db2.gz PUZSZUQEKWADCV-UHFFFAOYSA-N 0 1 379.869 3.080 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)c1nnc[nH]1 ZINC000180605665 566077156 /nfs/dbraw/zinc/07/71/56/566077156.db2.gz SETGKKPTJDVNDV-SNVBAGLBSA-N 0 1 379.262 3.050 20 0 GGADMN C[C@H](NC(=O)Nc1cc(Br)ccc1N1CCCC1)c1nnc[nH]1 ZINC000180605644 566077184 /nfs/dbraw/zinc/07/71/84/566077184.db2.gz SETGKKPTJDVNDV-JTQLQIEISA-N 0 1 379.262 3.050 20 0 GGADMN C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000248429884 566077326 /nfs/dbraw/zinc/07/73/26/566077326.db2.gz RBSYLKUITFXQGI-UONOGXRCSA-N 0 1 378.460 3.289 20 0 GGADMN O=C1[C@H](N(Cc2cccc(Br)c2)C2CC2)CCN1C1CCOCC1 ZINC000364987424 566077478 /nfs/dbraw/zinc/07/74/78/566077478.db2.gz KYXCBWPUXGSXRB-GOSISDBHSA-N 0 1 393.325 3.193 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248424974 566077782 /nfs/dbraw/zinc/07/77/82/566077782.db2.gz HQHJLJNPUXTASD-KNCOVGOOSA-N 0 1 378.460 3.013 20 0 GGADMN C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248429885 566078580 /nfs/dbraw/zinc/07/85/80/566078580.db2.gz RBSYLKUITFXQGI-ZIAGYGMSSA-N 0 1 378.460 3.289 20 0 GGADMN CN1CCC2(CCCN2S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1 ZINC000365076997 566081285 /nfs/dbraw/zinc/08/12/85/566081285.db2.gz KTZPQAGJYWVEPS-UHFFFAOYSA-N 0 1 376.444 3.040 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000248544469 566081683 /nfs/dbraw/zinc/08/16/83/566081683.db2.gz CYKLKSXCDBEGJZ-BXZDMCNWSA-N 0 1 381.925 3.098 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)C[C@H]1C ZINC000248590692 566083003 /nfs/dbraw/zinc/08/30/03/566083003.db2.gz HCNRGHFBZKZRNU-WOPDTQHZSA-N 0 1 392.302 3.290 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000248615527 566084260 /nfs/dbraw/zinc/08/42/60/566084260.db2.gz IMQQLCQQKHDWHV-ROUUACIJSA-N 0 1 383.579 3.145 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000248632270 566084271 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C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000249329618 566100653 /nfs/dbraw/zinc/10/06/53/566100653.db2.gz HKUFUPUAWGNWBP-JLZZUVOBSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249340106 566100816 /nfs/dbraw/zinc/10/08/16/566100816.db2.gz IVSNBQOHUFYLOV-QWHCGFSZSA-N 0 1 388.339 3.097 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000249430394 566101321 /nfs/dbraw/zinc/10/13/21/566101321.db2.gz YXWURJRRZOVFOD-UHOFOFEASA-N 0 1 385.335 3.401 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCN1CC(C)(C)O ZINC000249421298 566101338 /nfs/dbraw/zinc/10/13/38/566101338.db2.gz XDUHOMQROWEEDH-DQYPLSBCSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000249415717 566101505 /nfs/dbraw/zinc/10/15/05/566101505.db2.gz WDZMPODUNFAFRT-YUELXQCFSA-N 0 1 385.335 3.401 20 0 GGADMN OCC1(CN[C@H](c2ccccc2)c2cc(Br)ccc2F)COC1 ZINC000180977772 566103504 /nfs/dbraw/zinc/10/35/04/566103504.db2.gz WVFNYNHLICEKBH-QGZVFWFLSA-N 0 1 380.257 3.276 20 0 GGADMN CC[C@@]1(CO)CCCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000249597851 566105583 /nfs/dbraw/zinc/10/55/83/566105583.db2.gz XHEWQIIMURBZIF-RDTXWAMCSA-N 0 1 383.330 3.111 20 0 GGADMN O[C@@]1(CN[C@@H](c2ccc(Br)cc2)c2ccccc2F)CCOC1 ZINC000181018599 566105918 /nfs/dbraw/zinc/10/59/18/566105918.db2.gz BXRIQHRWSVOBAP-ZWKOTPCHSA-N 0 1 380.257 3.419 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000249734402 566106644 /nfs/dbraw/zinc/10/66/44/566106644.db2.gz DCOQFOQRSFTIEI-RVKKMQEKSA-N 0 1 395.341 3.092 20 0 GGADMN O[C@@]1(CN[C@@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000181018912 566107352 /nfs/dbraw/zinc/10/73/52/566107352.db2.gz JOWXBPHOTKBDFR-ZWKOTPCHSA-N 0 1 380.257 3.419 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1Br ZINC000289124533 566107817 /nfs/dbraw/zinc/10/78/17/566107817.db2.gz RUUCPSVVOPMBMI-BDAKNGLRSA-N 0 1 382.262 3.006 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000181061949 566109187 /nfs/dbraw/zinc/10/91/87/566109187.db2.gz YZZNCVNJLUEQOQ-UHFFFAOYSA-N 0 1 375.780 3.370 20 0 GGADMN CC(C)Sc1cccc(Cl)c1CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000289176309 566110331 /nfs/dbraw/zinc/11/03/31/566110331.db2.gz AAEFGTCETRUKAU-UHFFFAOYSA-N 0 1 381.929 3.357 20 0 GGADMN CN(C)c1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1 ZINC000181094609 566113699 /nfs/dbraw/zinc/11/36/99/566113699.db2.gz SONIYOPSVMWHRL-UHFFFAOYSA-N 0 1 377.800 3.203 20 0 GGADMN CC(C)(CO)[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccs1 ZINC000289303763 566116400 /nfs/dbraw/zinc/11/64/00/566116400.db2.gz ILJLVQCYLNZRIC-QGZVFWFLSA-N 0 1 377.897 3.259 20 0 GGADMN COc1ccc(CNCc2cnc(C3OCCO3)s2)cc1Br ZINC000289294377 566116445 /nfs/dbraw/zinc/11/64/45/566116445.db2.gz QBVQJYURFIDBQL-UHFFFAOYSA-N 0 1 385.283 3.249 20 0 GGADMN c1nc(CNc2ccccc2CN2CCSCC2)sc1C1OCCO1 ZINC000289295462 566116522 /nfs/dbraw/zinc/11/65/22/566116522.db2.gz QFGSTEPHTKBCTQ-UHFFFAOYSA-N 0 1 377.535 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C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000262493426 566153165 /nfs/dbraw/zinc/15/31/65/566153165.db2.gz GUSHXRHPTWCNLV-CQSZACIVSA-N 0 1 376.831 3.312 20 0 GGADMN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000262454148 566153373 /nfs/dbraw/zinc/15/33/73/566153373.db2.gz KOEFPZXVBJFVKE-SSDOTTSWSA-N 0 1 390.130 3.032 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181635469 566153466 /nfs/dbraw/zinc/15/34/66/566153466.db2.gz FMZRBBFDUOVGEB-GDBMZVCRSA-N 0 1 383.535 3.021 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181635449 566153570 /nfs/dbraw/zinc/15/35/70/566153570.db2.gz FMZRBBFDUOVGEB-HOCLYGCPSA-N 0 1 383.535 3.021 20 0 GGADMN COc1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000290037729 566153608 /nfs/dbraw/zinc/15/36/08/566153608.db2.gz BHSIKOOOJKGGOO-QGZVFWFLSA-N 0 1 380.897 3.163 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N1CCNC[C@@H]1C ZINC000417519025 566153723 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C[C@@H](CNC(=O)N[C@@H](C)c1nnc[nH]1)Sc1ccc(Br)cc1 ZINC000182820995 566226266 /nfs/dbraw/zinc/22/62/66/566226266.db2.gz UROHPQBWMQFMAX-UWVGGRQHSA-N 0 1 384.303 3.108 20 0 GGADMN COC(=O)c1csc(NS(=O)(=O)c2ccccc2Br)c1C ZINC000182833235 566226291 /nfs/dbraw/zinc/22/62/91/566226291.db2.gz UIOUHXXRENHNHV-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN NC(=O)C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000367983675 566226982 /nfs/dbraw/zinc/22/69/82/566226982.db2.gz QCJJPCKPFZTWCB-LLVKDONJSA-N 0 1 380.311 3.270 20 0 GGADMN NC(=O)C[C@H]1CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000367983675 566226986 /nfs/dbraw/zinc/22/69/86/566226986.db2.gz QCJJPCKPFZTWCB-LLVKDONJSA-N 0 1 380.311 3.270 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)N(C)Cc2ccco2)cc1Br ZINC000264924893 566227640 /nfs/dbraw/zinc/22/76/40/566227640.db2.gz NAJFALQMAAKPIS-LBPRGKRZSA-N 0 1 381.270 3.360 20 0 GGADMN FC(F)(F)c1nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)sc1Br ZINC000418905904 566227620 /nfs/dbraw/zinc/22/76/20/566227620.db2.gz 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/nfs/dbraw/zinc/23/01/38/566230138.db2.gz WXKPSDLNUUILJV-UHFFFAOYSA-N 0 1 396.123 3.485 20 0 GGADMN Cc1nnsc1CNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000291681474 566230362 /nfs/dbraw/zinc/23/03/62/566230362.db2.gz RHTNRSSTGMQXSP-HNNXBMFYSA-N 0 1 379.917 3.136 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000182927766 566230384 /nfs/dbraw/zinc/23/03/84/566230384.db2.gz HMTAHANYHPGHPV-HNNXBMFYSA-N 0 1 383.286 3.045 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000182927766 566230387 /nfs/dbraw/zinc/23/03/87/566230387.db2.gz HMTAHANYHPGHPV-HNNXBMFYSA-N 0 1 383.286 3.045 20 0 GGADMN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NOC/C=C/Cl ZINC000291695466 566230635 /nfs/dbraw/zinc/23/06/35/566230635.db2.gz BVTZWJMOCJLDFB-YIALFULDSA-N 0 1 380.775 3.237 20 0 GGADMN CC[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1nccn1C ZINC000182939663 566231297 /nfs/dbraw/zinc/23/12/97/566231297.db2.gz RPVCFUOABFLKHQ-MRXNPFEDSA-N 0 1 393.329 3.272 20 0 GGADMN COc1cccc([C@@H]2C[C@H]2N[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000419248892 566231464 /nfs/dbraw/zinc/23/14/64/566231464.db2.gz DFNWOOHTJFBQQT-GVDBMIGSSA-N 0 1 375.266 3.130 20 0 GGADMN FC(F)(F)CN1CC[C@@H](CNCc2nc3ccccn3c2Br)C1 ZINC000265101735 566231559 /nfs/dbraw/zinc/23/15/59/566231559.db2.gz SWYAWHBUPJNFFN-NSHDSACASA-N 0 1 391.235 3.071 20 0 GGADMN CCSc1cccc(F)c1NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC000291718688 566231902 /nfs/dbraw/zinc/23/19/02/566231902.db2.gz PZLDYBRIUOSSFM-UHFFFAOYSA-N 0 1 386.470 3.342 20 0 GGADMN CO[C@](C)(CN[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000419248986 566231966 /nfs/dbraw/zinc/23/19/66/566231966.db2.gz YRODRPCZJBTBMQ-SJLPKXTDSA-N 0 1 377.282 3.127 20 0 GGADMN Brc1cncc(CN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000182966697 566232893 /nfs/dbraw/zinc/23/28/93/566232893.db2.gz LRPWTQHRPWDIJB-UHFFFAOYSA-N 0 1 382.346 3.169 20 0 GGADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Nc1nc(C2CC2)cs1 ZINC000291745477 566233456 /nfs/dbraw/zinc/23/34/56/566233456.db2.gz JOGWIUJXQLUGOS-PSASIEDQSA-N 0 1 376.404 3.084 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(=O)CN[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000182996411 566233913 /nfs/dbraw/zinc/23/39/13/566233913.db2.gz OTYKRGBEEMUZQF-ZDUSSCGKSA-N 0 1 379.913 3.458 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183010059 566234351 /nfs/dbraw/zinc/23/43/51/566234351.db2.gz MLQZXNKXYKDTQM-NWDGAFQWSA-N 0 1 376.444 3.035 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183010059 566234353 /nfs/dbraw/zinc/23/43/53/566234353.db2.gz MLQZXNKXYKDTQM-NWDGAFQWSA-N 0 1 376.444 3.035 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](C)c2ccc(Cl)s2)cc1 ZINC000182996425 566234433 /nfs/dbraw/zinc/23/44/33/566234433.db2.gz OTYKRGBEEMUZQF-CYBMUJFWSA-N 0 1 379.913 3.458 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)n[nH]1 ZINC000291782546 566234500 /nfs/dbraw/zinc/23/45/00/566234500.db2.gz GDMNZRGCEHSXFR-CYBMUJFWSA-N 0 1 397.248 3.220 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2nc(C3CC3)ncc2Br)n[nH]1 ZINC000291789845 566234649 /nfs/dbraw/zinc/23/46/49/566234649.db2.gz PLUNKAUKSDYECE-BDAKNGLRSA-N 0 1 393.289 3.239 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000183021453 566235216 /nfs/dbraw/zinc/23/52/16/566235216.db2.gz WUCXFMQDZJTAPU-RWMBFGLXSA-N 0 1 380.897 3.397 20 0 GGADMN CC[C@H](NCc1ccc(SC)c(OC)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183030521 566236060 /nfs/dbraw/zinc/23/60/60/566236060.db2.gz WVXZRIQDWKKCIM-INIZCTEOSA-N 0 1 380.535 3.305 20 0 GGADMN Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)n[nH]1 ZINC000291815281 566236164 /nfs/dbraw/zinc/23/61/64/566236164.db2.gz ZAJHYZYXXLUGRH-UHFFFAOYSA-N 0 1 375.889 3.240 20 0 GGADMN CC(C)c1nc(CS(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)n[nH]1 ZINC000291808624 566236307 /nfs/dbraw/zinc/23/63/07/566236307.db2.gz BFOPDNLXBAHADO-UHFFFAOYSA-N 0 1 380.470 3.306 20 0 GGADMN COc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000183074617 566237302 /nfs/dbraw/zinc/23/73/02/566237302.db2.gz ZWMLIJZSUUSJKU-GFCCVEGCSA-N 0 1 380.246 3.335 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Br)s1 ZINC000368394733 566237871 /nfs/dbraw/zinc/23/78/71/566237871.db2.gz WNEHSFSFPRPXLU-MRVPVSSYSA-N 0 1 378.255 3.433 20 0 GGADMN Cc1ccc(CCC(=O)N2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000368425660 566238222 /nfs/dbraw/zinc/23/82/22/566238222.db2.gz GSSNOZZOXQYVNR-UHFFFAOYSA-N 0 1 377.286 3.214 20 0 GGADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H](O)C1CCOCC1 ZINC000265509074 566238474 /nfs/dbraw/zinc/23/84/74/566238474.db2.gz FMQSIZHVASRFEU-QGZVFWFLSA-N 0 1 384.307 3.365 20 0 GGADMN C[C@H](O)[C@@H]1CCN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000183153787 566239069 /nfs/dbraw/zinc/23/90/69/566239069.db2.gz WHKGDYFUEBLSJN-WCQYABFASA-N 0 1 398.244 3.149 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccccc1N1CCCCC1 ZINC000183144945 566239445 /nfs/dbraw/zinc/23/94/45/566239445.db2.gz RAOAPTSGJPHSBV-UHFFFAOYSA-N 0 1 380.564 3.226 20 0 GGADMN O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc(F)cc1Cl ZINC000368505526 566240308 /nfs/dbraw/zinc/24/03/08/566240308.db2.gz YUHFCWVMBOHWII-ZDUSSCGKSA-N 0 1 384.173 3.304 20 0 GGADMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1ccc(F)cc1Cl ZINC000368505526 566240310 /nfs/dbraw/zinc/24/03/10/566240310.db2.gz YUHFCWVMBOHWII-ZDUSSCGKSA-N 0 1 384.173 3.304 20 0 GGADMN O=C(CCCc1cccs1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368505617 566240585 /nfs/dbraw/zinc/24/05/85/566240585.db2.gz ZRHWHHDTIANTMS-HNNXBMFYSA-N 0 1 379.848 3.282 20 0 GGADMN O=C(CCCc1cccs1)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000368505617 566240586 /nfs/dbraw/zinc/24/05/86/566240586.db2.gz ZRHWHHDTIANTMS-HNNXBMFYSA-N 0 1 379.848 3.282 20 0 GGADMN CCCc1cnc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)s1 ZINC000183195525 566240602 /nfs/dbraw/zinc/24/06/02/566240602.db2.gz BEYMUJYVEJVOFU-LLVKDONJSA-N 0 1 379.507 3.194 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1nnc[nH]1 ZINC000183204988 566241054 /nfs/dbraw/zinc/24/10/54/566241054.db2.gz HBAILRVIXRSPJU-LLVKDONJSA-N 0 1 378.841 3.290 20 0 GGADMN COc1c(Cl)cc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000265776051 566241267 /nfs/dbraw/zinc/24/12/67/566241267.db2.gz KIQZQDFUDMXNEN-GFCCVEGCSA-N 0 1 389.327 3.007 20 0 GGADMN COc1c(Cl)cc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000265776054 566241444 /nfs/dbraw/zinc/24/14/44/566241444.db2.gz KIQZQDFUDMXNEN-LBPRGKRZSA-N 0 1 389.327 3.007 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1Cl ZINC000419689523 566241787 /nfs/dbraw/zinc/24/17/87/566241787.db2.gz JASFKYRFHVHZKX-HNNXBMFYSA-N 0 1 384.860 3.130 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3nccs3)CC2)cc1 ZINC000368581898 566242266 /nfs/dbraw/zinc/24/22/66/566242266.db2.gz IHHRFHSJGLZEPE-AWEZNQCLSA-N 0 1 379.551 3.256 20 0 GGADMN CN(C)Cc1cc(NCc2ccc(S(N)(=O)=O)c(Cl)c2)ccc1Cl ZINC000419703075 566242293 /nfs/dbraw/zinc/24/22/93/566242293.db2.gz CHGREAAXBOXHBA-UHFFFAOYSA-N 0 1 388.320 3.315 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1Cl ZINC000419713964 566242691 /nfs/dbraw/zinc/24/26/91/566242691.db2.gz 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COc1c(Br)ccc(F)c1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000648881243 566326103 /nfs/dbraw/zinc/32/61/03/566326103.db2.gz RRZNRPZBMUNGEV-GFCCVEGCSA-N 0 1 385.277 3.344 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2c1OCCO2 ZINC000509661948 566326079 /nfs/dbraw/zinc/32/60/79/566326079.db2.gz WFPXVIFGKNPYNG-UHFFFAOYSA-N 0 1 375.324 3.157 20 0 GGADMN C[C@H]1CN(C)CCN1CCOc1c(Br)cccc1Br ZINC000482699978 566326957 /nfs/dbraw/zinc/32/69/57/566326957.db2.gz ZADNWNBHSUJLIN-NSHDSACASA-N 0 1 392.135 3.226 20 0 GGADMN CCn1cc([C@H](C)N[C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000625462051 566327486 /nfs/dbraw/zinc/32/74/86/566327486.db2.gz LHJVONROAHMJLY-MEDUHNTESA-N 0 1 377.286 3.270 20 0 GGADMN Cc1cc(I)cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1C ZINC000509680165 566327753 /nfs/dbraw/zinc/32/77/53/566327753.db2.gz KAHPCGYQLVBVSL-VXGBXAGGSA-N 0 1 386.277 3.073 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2ccc(F)cc2Cl)s1 ZINC000482708405 566328120 /nfs/dbraw/zinc/32/81/20/566328120.db2.gz QOWCEWLDFAFNMO-UHFFFAOYSA-N 0 1 379.818 3.137 20 0 GGADMN CN(CC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCSC1 ZINC000482711338 566328137 /nfs/dbraw/zinc/32/81/37/566328137.db2.gz RIPJYCDOYLHHKL-OCCSQVGLSA-N 0 1 388.364 3.126 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000509681391 566328234 /nfs/dbraw/zinc/32/82/34/566328234.db2.gz IYWYWAIAFUFLIW-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN CCn1cc([C@H](C)N[C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000625462052 566328315 /nfs/dbraw/zinc/32/83/15/566328315.db2.gz LHJVONROAHMJLY-ZBEGNZNMSA-N 0 1 377.286 3.270 20 0 GGADMN CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)C[C@@H]1C ZINC000669800159 566328444 /nfs/dbraw/zinc/32/84/44/566328444.db2.gz GAIDHZUQBYDAEC-LBPRGKRZSA-N 0 1 384.311 3.231 20 0 GGADMN O[C@H]1C[C@@H](CN2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)C1 ZINC000420903607 566328872 /nfs/dbraw/zinc/32/88/72/566328872.db2.gz BFCIQOKVAJOTJQ-VNQPRFMTSA-N 0 1 392.297 3.331 20 0 GGADMN C[C@H](NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1)c1nnc[nH]1 ZINC000556757522 566329121 /nfs/dbraw/zinc/32/91/21/566329121.db2.gz BDQQXMKRHQCCKY-VIFPVBQESA-N 0 1 398.692 3.313 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000482736747 566329837 /nfs/dbraw/zinc/32/98/37/566329837.db2.gz PHWBGRMFFVRYQE-HOTGVXAUSA-N 0 1 384.307 3.089 20 0 GGADMN COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(Br)c1 ZINC000420943978 566330761 /nfs/dbraw/zinc/33/07/61/566330761.db2.gz XBOFFJKWYCKURG-KDOFPFPSSA-N 0 1 393.325 3.433 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 ZINC000669851145 566331663 /nfs/dbraw/zinc/33/16/63/566331663.db2.gz VWDYNMSHGIIRKC-LSDHHAIUSA-N 0 1 380.535 3.181 20 0 GGADMN O=C(Nc1ccc(I)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000482768754 566331904 /nfs/dbraw/zinc/33/19/04/566331904.db2.gz GMHFAPPZZZHZGR-LBPRGKRZSA-N 0 1 382.205 3.213 20 0 GGADMN Cc1cc(C(=O)N2CCSCC2)ccc1NS(=O)(=O)c1ccsc1 ZINC000556793827 566332156 /nfs/dbraw/zinc/33/21/56/566332156.db2.gz DEGREQZEAQBVHC-UHFFFAOYSA-N 0 1 382.532 3.046 20 0 GGADMN CCN(CC)C(=O)CCCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000535839316 566332229 /nfs/dbraw/zinc/33/22/29/566332229.db2.gz USBKLXCZJIHODN-UHFFFAOYSA-N 0 1 384.311 3.312 20 0 GGADMN COc1ccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)c(Br)c1 ZINC000420980555 566332494 /nfs/dbraw/zinc/33/24/94/566332494.db2.gz WWLYAMNJKSOJJH-UHFFFAOYSA-N 0 1 393.325 3.228 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000556806450 566333691 /nfs/dbraw/zinc/33/36/91/566333691.db2.gz QLZCAQGFNOZMGV-LBPRGKRZSA-N 0 1 382.835 3.218 20 0 GGADMN COc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c(C)c1OC ZINC000576308234 566333843 /nfs/dbraw/zinc/33/38/43/566333843.db2.gz KGJLTDNNFCBGSW-UHFFFAOYSA-N 0 1 383.897 3.359 20 0 GGADMN OC[C@H](NCc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCOC1 ZINC000556816426 566334471 /nfs/dbraw/zinc/33/44/71/566334471.db2.gz DZVFZTTYZMNFKU-BBRMVZONSA-N 0 1 397.338 3.450 20 0 GGADMN CC(C)SCCN(C1CC1)S(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000509747808 566334441 /nfs/dbraw/zinc/33/44/41/566334441.db2.gz XUSUYRKWTUXLHL-IBGZPJMESA-N 0 1 382.595 3.197 20 0 GGADMN O=C(Nc1cccc(I)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000482804206 566334608 /nfs/dbraw/zinc/33/46/08/566334608.db2.gz ZFNROWXIZNRILK-LBPRGKRZSA-N 0 1 382.205 3.213 20 0 GGADMN CN(Cc1ccc(F)cc1Br)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000482795861 566334679 /nfs/dbraw/zinc/33/46/79/566334679.db2.gz VHVCFYPTZWXKOC-UHFFFAOYSA-N 0 1 384.274 3.313 20 0 GGADMN CN(CC(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1)[C@@H]1CCSC1 ZINC000648968929 566335170 /nfs/dbraw/zinc/33/51/70/566335170.db2.gz LHYOOZKAZAVYRG-ZIAGYGMSSA-N 0 1 377.941 3.232 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(Cl)s3)n2)cc1OC ZINC000669906190 566335656 /nfs/dbraw/zinc/33/56/56/566335656.db2.gz SXJSRZXDLXBSPP-UHFFFAOYSA-N 0 1 378.841 3.385 20 0 GGADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1cc(Br)c[nH]1 ZINC000556826158 566335842 /nfs/dbraw/zinc/33/58/42/566335842.db2.gz CQXMYMBSXVYUOI-UHFFFAOYSA-N 0 1 394.660 3.188 20 0 GGADMN C[C@]1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCCS1 ZINC000536002416 566343274 /nfs/dbraw/zinc/34/32/74/566343274.db2.gz KYZSXSFRULMHMH-GFCCVEGCSA-N 0 1 386.283 3.291 20 0 GGADMN CCCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CC[N@H+](C)C1 ZINC000648996467 566337895 /nfs/dbraw/zinc/33/78/95/566337895.db2.gz SZAXIRGVXOXGGC-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN CCCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CC[N@@H+](C)C1 ZINC000648996467 566337899 /nfs/dbraw/zinc/33/78/99/566337899.db2.gz SZAXIRGVXOXGGC-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1(C(F)F)CC1 ZINC000509783134 566338007 /nfs/dbraw/zinc/33/80/07/566338007.db2.gz PCPPSPSPEPNJCP-UHFFFAOYSA-N 0 1 388.219 3.104 20 0 GGADMN CCCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCN(C)C1 ZINC000648999753 566338436 /nfs/dbraw/zinc/33/84/36/566338436.db2.gz HDSOFLQILBJELU-MRXNPFEDSA-N 0 1 391.313 3.191 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[C@H](NCc2cc(F)c(F)cc2Br)C1 ZINC000556867790 566339331 /nfs/dbraw/zinc/33/93/31/566339331.db2.gz YZBFZIPFALQRQV-QWRGUYRKSA-N 0 1 382.270 3.173 20 0 GGADMN CC[C@@H](NC(=O)c1cccc(Br)c1O)C(=O)NCc1cccs1 ZINC000649040375 566339349 /nfs/dbraw/zinc/33/93/49/566339349.db2.gz GNFNBLYHXFIWSW-CYBMUJFWSA-N 0 1 397.294 3.041 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(Br)c2ccccc12 ZINC000446281673 566339746 /nfs/dbraw/zinc/33/97/46/566339746.db2.gz CNRIZUFWDVVVEP-UHFFFAOYSA-N 0 1 392.297 3.446 20 0 GGADMN CCn1cc(CN(CCO)CCC(=O)Nc2c(Cl)cccc2Cl)cn1 ZINC000482896016 566340838 /nfs/dbraw/zinc/34/08/38/566340838.db2.gz TZZVHXKPPDLAPL-UHFFFAOYSA-N 0 1 385.295 3.033 20 0 GGADMN Cc1cc(C2(C(=O)NCc3c[nH]nn3)CCCCC2)ccc1Br ZINC000649044214 566341023 /nfs/dbraw/zinc/34/10/23/566341023.db2.gz PBUAFIOJTXRQSY-UHFFFAOYSA-N 0 1 377.286 3.394 20 0 GGADMN Cc1c([C@H](C)NCCN(C)CC(F)(F)F)nnn1-c1ccc(Cl)cc1 ZINC000482888998 566341325 /nfs/dbraw/zinc/34/13/25/566341325.db2.gz SQDSSESCBPAMLO-NSHDSACASA-N 0 1 375.826 3.374 20 0 GGADMN O=C(NCc1nn[nH]n1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000600496288 566341573 /nfs/dbraw/zinc/34/15/73/566341573.db2.gz AQDRXMRBRSDYTN-HNNXBMFYSA-N 0 1 377.832 3.142 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000462688696 566341823 /nfs/dbraw/zinc/34/18/23/566341823.db2.gz UHZAALNXFKBTHV-BEFAXECRSA-N 0 1 376.547 3.207 20 0 GGADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[C@H]1CC12CCSCC2 ZINC000576393469 566342169 /nfs/dbraw/zinc/34/21/69/566342169.db2.gz RCSQNQFGGTZSAZ-CQSZACIVSA-N 0 1 376.913 3.317 20 0 GGADMN O=C(c1cscc1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000509841704 566342372 /nfs/dbraw/zinc/34/23/72/566342372.db2.gz YMFBICHZYZTSIV-UHFFFAOYSA-N 0 1 387.343 3.085 20 0 GGADMN C[C@H](C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC1)C(=O)[O-] ZINC000576405633 566343114 /nfs/dbraw/zinc/34/31/14/566343114.db2.gz CDKJCQNRJYUPTE-SNVBAGLBSA-N 0 1 380.242 3.184 20 0 GGADMN COC1CCN(CCNC(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000649087530 566343238 /nfs/dbraw/zinc/34/32/38/566343238.db2.gz QSVYTXSDOQWYLM-UHFFFAOYSA-N 0 1 393.684 3.082 20 0 GGADMN COc1cc(OC)c([C@H](C)NCC2(S(C)(=O)=O)CCCC2)cc1Cl ZINC000556920531 566344120 /nfs/dbraw/zinc/34/41/20/566344120.db2.gz JJCQHUJPMXKLQM-LBPRGKRZSA-N 0 1 375.918 3.365 20 0 GGADMN COc1cc(OC)c([C@@H](C)NCC2(S(C)(=O)=O)CCCC2)cc1Cl ZINC000556920530 566344146 /nfs/dbraw/zinc/34/41/46/566344146.db2.gz JJCQHUJPMXKLQM-GFCCVEGCSA-N 0 1 375.918 3.365 20 0 GGADMN O[C@@H](COCc1ccccc1Cl)CN1CCN(Cc2ccsc2)CC1 ZINC000536012235 566344712 /nfs/dbraw/zinc/34/47/12/566344712.db2.gz HZWYQNKLMVDILB-GOSISDBHSA-N 0 1 380.941 3.097 20 0 GGADMN O[C@H](COCc1ccccc1Cl)CN1CCN(Cc2ccsc2)CC1 ZINC000536012238 566345346 /nfs/dbraw/zinc/34/53/46/566345346.db2.gz HZWYQNKLMVDILB-SFHVURJKSA-N 0 1 380.941 3.097 20 0 GGADMN COCCC1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625632244 566345429 /nfs/dbraw/zinc/34/54/29/566345429.db2.gz VWCNZKVIAJTMPS-KRWDZBQOSA-N 0 1 381.314 3.451 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509893685 566345532 /nfs/dbraw/zinc/34/55/32/566345532.db2.gz MBRQGZZXULGKFN-TVQRCGJNSA-N 0 1 382.835 3.120 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)nc1)c1ccccc1Cl ZINC000625637055 566345751 /nfs/dbraw/zinc/34/57/51/566345751.db2.gz NHEHBQCZPKRNGU-INIZCTEOSA-N 0 1 381.885 3.234 20 0 GGADMN FC(F)(F)[C@H](CN[C@H]1CCCOc2c(Cl)cccc21)N1CCOCC1 ZINC000556925666 566346243 /nfs/dbraw/zinc/34/62/43/566346243.db2.gz YENNSVUHRAVNDZ-GJZGRUSLSA-N 0 1 378.822 3.406 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C[C@H]1CCCNC1=O ZINC000576444341 566346798 /nfs/dbraw/zinc/34/67/98/566346798.db2.gz IVWQBQOGLTZPFO-WBMJQRKESA-N 0 1 384.307 3.313 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1[nH]nc2c1CCCC2 ZINC000600576944 566347183 /nfs/dbraw/zinc/34/71/83/566347183.db2.gz GDUIKGSNBSATFW-GFCCVEGCSA-N 0 1 389.297 3.060 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C[C@@H]1CCCNC1=O ZINC000576444338 566347159 /nfs/dbraw/zinc/34/71/59/566347159.db2.gz IVWQBQOGLTZPFO-BLLLJJGKSA-N 0 1 384.307 3.313 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1N(C)C ZINC000556945334 566347710 /nfs/dbraw/zinc/34/77/10/566347710.db2.gz SNTKWNMWAMVWOL-CQSZACIVSA-N 0 1 381.929 3.035 20 0 GGADMN CCc1[nH][nH]c(=NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)c1Br ZINC000536056719 566348609 /nfs/dbraw/zinc/34/86/09/566348609.db2.gz DVSGDJOXMFASEL-UHFFFAOYSA-N 0 1 388.269 3.416 20 0 GGADMN O=C(c1cccc2n[nH]cc21)N(CCO)Cc1ccc(Br)s1 ZINC000482983627 566348834 /nfs/dbraw/zinc/34/88/34/566348834.db2.gz VLYJORBWXCUFIB-UHFFFAOYSA-N 0 1 380.267 3.022 20 0 GGADMN O=S(=O)(Nc1cnn(CC(F)F)c1)c1cc(Cl)ccc1OC(F)F ZINC000421145922 566349063 /nfs/dbraw/zinc/34/90/63/566349063.db2.gz DNIBUAWHSPUFTM-UHFFFAOYSA-N 0 1 387.742 3.204 20 0 GGADMN CN1CCN(C[C@H](NC(=O)Cc2ccc(Cl)s2)c2ccccc2)CC1 ZINC000576481668 566349487 /nfs/dbraw/zinc/34/94/87/566349487.db2.gz KEAHXKAGFJJIQK-KRWDZBQOSA-N 0 1 377.941 3.049 20 0 GGADMN CC[C@H](CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)OC ZINC000421149394 566349624 /nfs/dbraw/zinc/34/96/24/566349624.db2.gz FUSJXXUASXTIFB-GFCCVEGCSA-N 0 1 377.388 3.058 20 0 GGADMN O=C(c1[nH]nc2ccccc21)N(CCO)Cc1ccc(Br)s1 ZINC000483002689 566350292 /nfs/dbraw/zinc/35/02/92/566350292.db2.gz AVCQWIGTFAFMGQ-UHFFFAOYSA-N 0 1 380.267 3.022 20 0 GGADMN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(F)ccc2OC(F)F)cn1 ZINC000421149232 566350202 /nfs/dbraw/zinc/35/02/02/566350202.db2.gz HMMRCNSCKJGPMI-SECBINFHSA-N 0 1 375.372 3.395 20 0 GGADMN O=C(Cc1ccccc1)N1CCC[C@H](NCc2ccc(Br)cn2)C1 ZINC000509947108 566350335 /nfs/dbraw/zinc/35/03/35/566350335.db2.gz YWMGSCWZNDXWBD-SFHVURJKSA-N 0 1 388.309 3.167 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2csc3ccccc32)C[C@@H]1N1CCCC1 ZINC000509944760 566350455 /nfs/dbraw/zinc/35/04/55/566350455.db2.gz QNPGCNBVMRSLBC-GOEBONIOSA-N 0 1 382.576 3.102 20 0 GGADMN COc1ccc2c(c1)OCCN(C(=O)c1cccc(Br)c1O)C2 ZINC000670141395 566350581 /nfs/dbraw/zinc/35/05/81/566350581.db2.gz FRHXRYTYWAYGRB-UHFFFAOYSA-N 0 1 378.222 3.198 20 0 GGADMN C[C@@H](C(=O)N(CCO)Cc1ccc(Br)s1)N1CCCCCC1 ZINC000483003329 566350603 /nfs/dbraw/zinc/35/06/03/566350603.db2.gz FHKINFYNLOYNRU-ZDUSSCGKSA-N 0 1 389.359 3.096 20 0 GGADMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000421153930 566351296 /nfs/dbraw/zinc/35/12/96/566351296.db2.gz MPGNILLCQYPCMW-CQSZACIVSA-N 0 1 383.539 3.374 20 0 GGADMN CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000670117460 566351428 /nfs/dbraw/zinc/35/14/28/566351428.db2.gz PBIIAYRRJXXTRL-ZDUSSCGKSA-N 0 1 378.318 3.258 20 0 GGADMN CC[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)OC ZINC000421157854 566351630 /nfs/dbraw/zinc/35/16/30/566351630.db2.gz SNUQMQGPJBHHRL-LBPRGKRZSA-N 0 1 386.857 3.352 20 0 GGADMN O=S1(=O)CC[C@@H](CN2CC[C@@H](Sc3ccc(Br)cc3)C2)C1 ZINC000625699434 566351783 /nfs/dbraw/zinc/35/17/83/566351783.db2.gz FFODQIQGAAZEPE-SWLSCSKDSA-N 0 1 390.368 3.050 20 0 GGADMN CSc1cccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000509964173 566352324 /nfs/dbraw/zinc/35/23/24/566352324.db2.gz PHCRCKMAOPTCFV-UHFFFAOYSA-N 0 1 382.526 3.300 20 0 GGADMN CC[C@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)N(C)Cc1ccccc1 ZINC000576496459 566352194 /nfs/dbraw/zinc/35/21/94/566352194.db2.gz FPKIVHKUHIDQHB-XJKSGUPXSA-N 0 1 391.313 3.327 20 0 GGADMN CC[C@@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)N(C)Cc1ccccc1 ZINC000576496456 566352416 /nfs/dbraw/zinc/35/24/16/566352416.db2.gz FPKIVHKUHIDQHB-BBRMVZONSA-N 0 1 391.313 3.327 20 0 GGADMN O=C(Cc1ccccc1)N1CCC[C@H](NCc2ccc(Br)o2)C1 ZINC000509960257 566352673 /nfs/dbraw/zinc/35/26/73/566352673.db2.gz URBPBJLPQMXGEI-HNNXBMFYSA-N 0 1 377.282 3.365 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)c2cccc3cccc(Br)c32)[C@H](C)C1 ZINC000556982827 566352881 /nfs/dbraw/zinc/35/28/81/566352881.db2.gz UPMMONDGSUYSTN-ZIAGYGMSSA-N 0 1 391.309 3.129 20 0 GGADMN O=S1(=O)CC[C@@H](CN2CC[C@H](Sc3ccc(Br)cc3)C2)C1 ZINC000625699438 566353544 /nfs/dbraw/zinc/35/35/44/566353544.db2.gz FFODQIQGAAZEPE-WFASDCNBSA-N 0 1 390.368 3.050 20 0 GGADMN C[C@@H]1c2cccc(Br)c2CCN1C(=O)CN(C)[C@H]1CCSC1 ZINC000509993890 566354119 /nfs/dbraw/zinc/35/41/19/566354119.db2.gz XTFDVZSFFHGJQZ-OLZOCXBDSA-N 0 1 383.355 3.332 20 0 GGADMN Cc1cc(=NC(=O)NCc2nc3cccc(Br)c3[nH]2)[nH]n1C(C)C ZINC000421199044 566354599 /nfs/dbraw/zinc/35/45/99/566354599.db2.gz QYZPDVURGFKMHT-UHFFFAOYSA-N 0 1 391.273 3.155 20 0 GGADMN COc1ccc(CNc2cc(C(C)C)nc(N(C)C)n2)cc1Br ZINC000462802363 566354697 /nfs/dbraw/zinc/35/46/97/566354697.db2.gz LAPZPIIHLGKFLK-UHFFFAOYSA-N 0 1 379.302 3.471 20 0 GGADMN CO[C@@](C)(CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000462821924 566354987 /nfs/dbraw/zinc/35/49/87/566354987.db2.gz RYNWLAGTCNYUDB-PSLIRLAXSA-N 0 1 381.325 3.107 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2cc(Br)cnc2OCC2CC2)CCN1C ZINC000557027212 566355677 /nfs/dbraw/zinc/35/56/77/566355677.db2.gz NDCBOQTULLOAQT-MRXNPFEDSA-N 0 1 396.329 3.045 20 0 GGADMN C[C@H](NCCc1nnn(C(C)(C)C)n1)c1cc(F)c(Br)cc1F ZINC000625750785 566355702 /nfs/dbraw/zinc/35/57/02/566355702.db2.gz NIVWGKKEWKPCBF-VIFPVBQESA-N 0 1 388.260 3.362 20 0 GGADMN CCCOc1ccc(NS(=O)(=O)c2csc(C(=O)OC)c2)cc1OC ZINC000600664607 566356006 /nfs/dbraw/zinc/35/60/06/566356006.db2.gz DBOMIJSLDWLJBX-UHFFFAOYSA-N 0 1 385.463 3.133 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cn3ccc(Br)cc3n2)n[nH]1 ZINC000557027366 566356186 /nfs/dbraw/zinc/35/61/86/566356186.db2.gz PSNYNXIEOPWHFG-ZJUUUORDSA-N 0 1 391.273 3.219 20 0 GGADMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000421230236 566357131 /nfs/dbraw/zinc/35/71/31/566357131.db2.gz HRUSLQMHLVEGRH-NSHDSACASA-N 0 1 379.404 3.385 20 0 GGADMN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCCN1CCCOCC1 ZINC000446597534 566357304 /nfs/dbraw/zinc/35/73/04/566357304.db2.gz XATQWMYUCOMMBG-INIZCTEOSA-N 0 1 388.339 3.336 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)ccc1C ZINC000421228859 566357706 /nfs/dbraw/zinc/35/77/06/566357706.db2.gz DXDWXCKNQZTKQS-UHFFFAOYSA-N 0 1 379.507 3.435 20 0 GGADMN C[C@](NS(=O)(=O)c1cc(F)ccc1OC(F)F)(C1CC1)C(F)(F)F ZINC000421247815 566358588 /nfs/dbraw/zinc/35/85/88/566358588.db2.gz JNHBSOQWIZKHMY-LBPRGKRZSA-N 0 1 377.306 3.436 20 0 GGADMN N[C@@H](C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1cccc(Cl)c1 ZINC000649287644 566358835 /nfs/dbraw/zinc/35/88/35/566358835.db2.gz YPMOGAPRPANOQY-OAHLLOKOSA-N 0 1 399.709 3.390 20 0 GGADMN Cc1c([C@@H](C)NC[C@@](C)(O)C(C)C)nnn1-c1cccc(Br)c1 ZINC000483124129 566359221 /nfs/dbraw/zinc/35/92/21/566359221.db2.gz ZGBYGONYNPUZNI-SJKOYZFVSA-N 0 1 381.318 3.396 20 0 GGADMN COc1cc(SC)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000446640868 566359659 /nfs/dbraw/zinc/35/96/59/566359659.db2.gz ZNUYINQGOBJKMV-UHFFFAOYSA-N 0 1 376.459 3.059 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1F ZINC000446624428 566359786 /nfs/dbraw/zinc/35/97/86/566359786.db2.gz NNZQCLSWKZOEPR-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2ccc(SC)cc2OC)cc1 ZINC000446637318 566359877 /nfs/dbraw/zinc/35/98/77/566359877.db2.gz JPKXYBMFRUABLW-UHFFFAOYSA-N 0 1 383.491 3.243 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000670392257 566360079 /nfs/dbraw/zinc/36/00/79/566360079.db2.gz WTASNDCKRQJCFH-CRAIPNDOSA-N 0 1 395.341 3.266 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1cncc(Br)c1 ZINC000462857048 566360127 /nfs/dbraw/zinc/36/01/27/566360127.db2.gz GOQWICMWZYNJDP-OAHLLOKOSA-N 0 1 375.314 3.467 20 0 GGADMN Fc1cc2nccc(N3CCN([C@H]4CCOC4)CC3)c2cc1Br ZINC000649304808 566360451 /nfs/dbraw/zinc/36/04/51/566360451.db2.gz XJBVUPVCNCCFGP-LBPRGKRZSA-N 0 1 380.261 3.047 20 0 GGADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000510044370 566360587 /nfs/dbraw/zinc/36/05/87/566360587.db2.gz LECHFAHPQLLRRO-SECBINFHSA-N 0 1 381.274 3.205 20 0 GGADMN C[C@@H](CO)N(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC1CCC1 ZINC000483140508 566360860 /nfs/dbraw/zinc/36/08/60/566360860.db2.gz HLNOISGRHUZDPZ-NSHDSACASA-N 0 1 376.831 3.363 20 0 GGADMN NC(=O)c1cn(C2CCN(Cc3sc4ccccc4c3Cl)CC2)nn1 ZINC000625805967 566361348 /nfs/dbraw/zinc/36/13/48/566361348.db2.gz FFXOPHYEUYVIPQ-UHFFFAOYSA-N 0 1 375.885 3.082 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Br)c(C)cc2OC)n[nH]1 ZINC000462866184 566361479 /nfs/dbraw/zinc/36/14/79/566361479.db2.gz JZTAOSPAWLLDLI-VIFPVBQESA-N 0 1 382.262 3.329 20 0 GGADMN CCN(C[C@H]1CCN(C(=O)[C@H](N)c2cccc(Cl)c2)C1)CC(F)(F)F ZINC000649344509 566361709 /nfs/dbraw/zinc/36/17/09/566361709.db2.gz AOCRBGSCFDZKCF-IUODEOHRSA-N 0 1 377.838 3.073 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)CCc2cccc(Cl)c2)cc1F ZINC000510065982 566362161 /nfs/dbraw/zinc/36/21/61/566362161.db2.gz OCWWCZWKFFBSBX-UHFFFAOYSA-N 0 1 384.904 3.203 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000625855198 566363340 /nfs/dbraw/zinc/36/33/40/566363340.db2.gz IXEGMZSQIFJUJA-KRWDZBQOSA-N 0 1 382.961 3.355 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000625868628 566363847 /nfs/dbraw/zinc/36/38/47/566363847.db2.gz HLZMKDWHWWKSAC-CQSZACIVSA-N 0 1 377.539 3.292 20 0 GGADMN COc1cccc(C2(NCC(=O)Nc3ccc(Br)cn3)CC2)c1 ZINC000510105073 566364956 /nfs/dbraw/zinc/36/49/56/566364956.db2.gz ZAGGEGWDCUJDRD-UHFFFAOYSA-N 0 1 376.254 3.070 20 0 GGADMN CCOc1c(Br)cc(CNC[C@@](C)(O)C(F)(F)F)cc1OC ZINC000536336924 566365255 /nfs/dbraw/zinc/36/52/55/566365255.db2.gz QXJZJGADNDDVMM-CYBMUJFWSA-N 0 1 386.208 3.259 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCCN(c3ccccc3)CC2)c1Br ZINC000576635532 566365323 /nfs/dbraw/zinc/36/53/23/566365323.db2.gz CUXNAZSZNVMMOU-UHFFFAOYSA-N 0 1 377.286 3.087 20 0 GGADMN CCOc1cc(CNC[C@@](C)(O)C(F)(F)F)cc(Br)c1OC ZINC000536336856 566365858 /nfs/dbraw/zinc/36/58/58/566365858.db2.gz OMJKKBRHNUWUHL-CYBMUJFWSA-N 0 1 386.208 3.259 20 0 GGADMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000600779075 566366183 /nfs/dbraw/zinc/36/61/83/566366183.db2.gz MBEJKBOUWINQRP-LLVKDONJSA-N 0 1 381.325 3.155 20 0 GGADMN CCOc1cc(CNC[C@](C)(O)C(F)(F)F)cc(Br)c1OC ZINC000536336857 566366304 /nfs/dbraw/zinc/36/63/04/566366304.db2.gz OMJKKBRHNUWUHL-ZDUSSCGKSA-N 0 1 386.208 3.259 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000649467298 566366799 /nfs/dbraw/zinc/36/67/99/566366799.db2.gz IHNZWNHXZMKHFI-UHFFFAOYSA-N 0 1 377.752 3.471 20 0 GGADMN CC(C)OC(=O)CCN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483250051 566367482 /nfs/dbraw/zinc/36/74/82/566367482.db2.gz MBQYWGMURFTJPP-CYBMUJFWSA-N 0 1 398.219 3.433 20 0 GGADMN COC(=O)c1ccncc1NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000446823579 566368006 /nfs/dbraw/zinc/36/80/06/566368006.db2.gz NXUUKJUKVZWTNL-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN O=C(CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)N1CCCCC1 ZINC000483250612 566368000 /nfs/dbraw/zinc/36/80/00/566368000.db2.gz AOAJNRCDCUUDMU-OAHLLOKOSA-N 0 1 378.822 3.384 20 0 GGADMN Cn1c(SCCc2c[nH]nn2)nc2scc(-c3cccs3)c2c1=O ZINC000576658427 566368144 /nfs/dbraw/zinc/36/81/44/566368144.db2.gz BEAVLWBSELGPEM-UHFFFAOYSA-N 0 1 375.504 3.176 20 0 GGADMN C[C@@H](Cn1cccn1)NCc1ccc(Cl)cc1I ZINC000446849281 566368287 /nfs/dbraw/zinc/36/82/87/566368287.db2.gz MMSMTCNVMCGFHQ-JTQLQIEISA-N 0 1 375.641 3.319 20 0 GGADMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1ccc(Br)o1 ZINC000510184724 566369077 /nfs/dbraw/zinc/36/90/77/566369077.db2.gz YNAXILFJOZEDMA-UHFFFAOYSA-N 0 1 391.225 3.007 20 0 GGADMN C[C@H](Cn1cccn1)NCc1ccc(Cl)cc1I ZINC000446849282 566369751 /nfs/dbraw/zinc/36/97/51/566369751.db2.gz MMSMTCNVMCGFHQ-SNVBAGLBSA-N 0 1 375.641 3.319 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000446904754 566369806 /nfs/dbraw/zinc/36/98/06/566369806.db2.gz OBXCYELZQBYWGL-LBPRGKRZSA-N 0 1 384.904 3.183 20 0 GGADMN CCCN(Cc1ccc(OC)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000649500777 566369918 /nfs/dbraw/zinc/36/99/18/566369918.db2.gz RENFDEXSTWMBPD-UHFFFAOYSA-N 0 1 382.913 3.408 20 0 GGADMN OCC[C@@H]1CCCN(Cc2ccc(F)cc2I)CC1 ZINC000421400833 566370127 /nfs/dbraw/zinc/37/01/27/566370127.db2.gz SOOZOIIZYARQPX-GFCCVEGCSA-N 0 1 377.241 3.415 20 0 GGADMN COc1ccc(C2(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)CC2)cc1 ZINC000510238813 566370558 /nfs/dbraw/zinc/37/05/58/566370558.db2.gz BIOUXXPQCPIOKP-UHFFFAOYSA-N 0 1 375.343 3.219 20 0 GGADMN CSc1cccc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000510250284 566371416 /nfs/dbraw/zinc/37/14/16/566371416.db2.gz BOMPXGNSIFRWKQ-KRWDZBQOSA-N 0 1 376.547 3.351 20 0 GGADMN O=C(C[N@@H+](CC1CC1)C1CCC1)Nc1ccc(I)cc1 ZINC000483297751 566371475 /nfs/dbraw/zinc/37/14/75/566371475.db2.gz PXIIIBMSEVDHSH-UHFFFAOYSA-N 0 1 384.261 3.494 20 0 GGADMN O=C(CSCC(F)(F)F)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000536420007 566371627 /nfs/dbraw/zinc/37/16/27/566371627.db2.gz IVLLZDNCPSFQRV-UHFFFAOYSA-N 0 1 395.204 3.468 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000536421974 566371713 /nfs/dbraw/zinc/37/17/13/566371713.db2.gz YGOWLPPXIWXIDZ-UHFFFAOYSA-N 0 1 382.507 3.461 20 0 GGADMN COC1(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCC1 ZINC000483279157 566371781 /nfs/dbraw/zinc/37/17/81/566371781.db2.gz KWYJLZGHWPOHMA-UHFFFAOYSA-N 0 1 392.974 3.057 20 0 GGADMN CO[C@@H](CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1)C(F)(F)F ZINC000649555487 566372147 /nfs/dbraw/zinc/37/21/47/566372147.db2.gz JDSZXGBCEVECQS-VIFPVBQESA-N 0 1 393.163 3.140 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)Nc1c(Cl)cccc1Cl ZINC000625990539 566372192 /nfs/dbraw/zinc/37/21/92/566372192.db2.gz NSTKUBQJXZTKDY-DYVFJYSZSA-N 0 1 382.247 3.152 20 0 GGADMN CC[C@@H](CC(F)(F)F)C(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000649544662 566372686 /nfs/dbraw/zinc/37/26/86/566372686.db2.gz NKLZZVSCTNNXIO-CPCISQLKSA-N 0 1 379.745 3.176 20 0 GGADMN COC1([C@H](C)NCc2cn(-c3cccc(Cl)c3Cl)nn2)CCOCC1 ZINC000421407030 566373002 /nfs/dbraw/zinc/37/30/02/566373002.db2.gz VHOMAVRKGLKAJA-LBPRGKRZSA-N 0 1 385.295 3.248 20 0 GGADMN COCCOc1ccc(CNc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000446954083 566373202 /nfs/dbraw/zinc/37/32/02/566373202.db2.gz KGIJRAAIUQRUHK-UHFFFAOYSA-N 0 1 376.254 3.385 20 0 GGADMN CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000649544665 566373302 /nfs/dbraw/zinc/37/33/02/566373302.db2.gz NKLZZVSCTNNXIO-WRWORJQWSA-N 0 1 379.745 3.176 20 0 GGADMN CC(C)CCC(=O)NCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000536459923 566374242 /nfs/dbraw/zinc/37/42/42/566374242.db2.gz RDXLSGBOZUTJTF-UHFFFAOYSA-N 0 1 377.666 3.299 20 0 GGADMN O=C(CN1CCCCCC1=O)Nc1cc(Br)cc(Cl)c1O ZINC000536461225 566374738 /nfs/dbraw/zinc/37/47/38/566374738.db2.gz UHFFJFHWWFNJCZ-UHFFFAOYSA-N 0 1 375.650 3.149 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCCOc1ccc(Br)cc1 ZINC000446968364 566375093 /nfs/dbraw/zinc/37/50/93/566375093.db2.gz XXHKAOLHFOAIJX-UHFFFAOYSA-N 0 1 383.311 3.381 20 0 GGADMN CC1(C)CN(CCOc2ccc(Br)cc2)C[C@@]2(CCCOC2)O1 ZINC000483341468 566375267 /nfs/dbraw/zinc/37/52/67/566375267.db2.gz MVZCJHWHHNVTSR-GOSISDBHSA-N 0 1 384.314 3.488 20 0 GGADMN O[C@@H](CNc1nc(C(F)(F)F)c(Br)s1)COc1ccccc1 ZINC000557241648 566376135 /nfs/dbraw/zinc/37/61/35/566376135.db2.gz SYXDJPQJAYBBJO-QMMMGPOBSA-N 0 1 397.216 3.198 20 0 GGADMN CCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)c1nn[nH]n1 ZINC000626024529 566376279 /nfs/dbraw/zinc/37/62/79/566376279.db2.gz NQHIMLFQLUILSZ-LLVKDONJSA-N 0 1 381.223 3.433 20 0 GGADMN Cc1c(Cl)c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)nn1C ZINC000421452808 566376348 /nfs/dbraw/zinc/37/63/48/566376348.db2.gz OJVLDRDOMKLQIF-UHFFFAOYSA-N 0 1 378.929 3.491 20 0 GGADMN CCC[C@H](NC(=O)c1cc2cc(Br)ccc2s1)c1nn[nH]n1 ZINC000626024724 566376503 /nfs/dbraw/zinc/37/65/03/566376503.db2.gz SZJBSCHGFHXGPN-JTQLQIEISA-N 0 1 380.271 3.448 20 0 GGADMN CSc1cc2c(cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1)OCCO2 ZINC000446977887 566376861 /nfs/dbraw/zinc/37/68/61/566376861.db2.gz SPXDXPZYURLCOW-BZNIZROVSA-N 0 1 377.428 3.315 20 0 GGADMN C[C@H](NC(=O)N[C@H](Cc1cccc(Br)c1)CC1CC1)c1nnc[nH]1 ZINC000483380605 566377224 /nfs/dbraw/zinc/37/72/24/566377224.db2.gz HZJYUPGJQWBNBM-NHYWBVRUSA-N 0 1 392.301 3.339 20 0 GGADMN CC[C@@H](C)N[C@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000510360955 566377860 /nfs/dbraw/zinc/37/78/60/566377860.db2.gz ASVZHYDSIRWJAF-QMTHXVAHSA-N 0 1 376.400 3.105 20 0 GGADMN Cc1cncc(CCN(CCn2ccnc2)Cc2ccc(Br)o2)n1 ZINC000649609318 566378178 /nfs/dbraw/zinc/37/81/78/566378178.db2.gz GPRYNPGEMAZKIO-UHFFFAOYSA-N 0 1 390.285 3.082 20 0 GGADMN CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccco1 ZINC000510391396 566379088 /nfs/dbraw/zinc/37/90/88/566379088.db2.gz BFWKPCLKUHSJEP-DOMZBBRYSA-N 0 1 386.901 3.349 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GGADMN Cc1cccc(Br)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000463262914 566395834 /nfs/dbraw/zinc/39/58/34/566395834.db2.gz RCSCQJHMIPROBZ-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN COCc1nc(CSc2nc(-c3ccc(OC)cc3OC)n[nH]2)cs1 ZINC000463253104 566396070 /nfs/dbraw/zinc/39/60/70/566396070.db2.gz BAXYVOLCROAEEN-UHFFFAOYSA-N 0 1 378.479 3.384 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCSC2)CC1 ZINC000463293854 566397677 /nfs/dbraw/zinc/39/76/77/566397677.db2.gz OCUOKGLOZAZKAS-ZDUSSCGKSA-N 0 1 398.370 3.283 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447262619 566397729 /nfs/dbraw/zinc/39/77/29/566397729.db2.gz FVBVWGJZQRBLFE-UHFFFAOYSA-N 0 1 383.857 3.291 20 0 GGADMN COC[C@@H](C)[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000463292796 566397840 /nfs/dbraw/zinc/39/78/40/566397840.db2.gz AMGAZKIGEKOGGD-KGLIPLIRSA-N 0 1 398.345 3.058 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000447258427 566397994 /nfs/dbraw/zinc/39/79/94/566397994.db2.gz FLDOWQXUFYXNDT-HOCLYGCPSA-N 0 1 386.330 3.041 20 0 GGADMN COC[C@@H](C)OC[C@@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000447258757 566398097 /nfs/dbraw/zinc/39/80/97/566398097.db2.gz FLDOWQXUFYXNDT-ZBFHGGJFSA-N 0 1 386.330 3.041 20 0 GGADMN CN(CCc1ccc2c(c1)CCO2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000536744062 566398399 /nfs/dbraw/zinc/39/83/99/566398399.db2.gz HQYCWCARSLKEFE-GOSISDBHSA-N 0 1 389.293 3.085 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000447258419 566398591 /nfs/dbraw/zinc/39/85/91/566398591.db2.gz FLDOWQXUFYXNDT-GOEBONIOSA-N 0 1 386.330 3.041 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(F)c2-c2nnc[nH]2)cc1Cl ZINC000447260227 566398601 /nfs/dbraw/zinc/39/86/01/566398601.db2.gz YGDRDLQQPCUVFX-UHFFFAOYSA-N 0 1 382.804 3.074 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(OC(F)F)cc2F)s1 ZINC000447278588 566399041 /nfs/dbraw/zinc/39/90/41/566399041.db2.gz OKIYOPSQVZZKGW-UHFFFAOYSA-N 0 1 399.343 3.215 20 0 GGADMN Cc1c([C@@H](C)NCC[C@@H](O)C(C)C)nnn1-c1cccc(Br)c1 ZINC000483733087 566399105 /nfs/dbraw/zinc/39/91/05/566399105.db2.gz RUUPQCYTEFWLLX-MLGOLLRUSA-N 0 1 381.318 3.396 20 0 GGADMN Cc1c([C@H](C)NCC[C@@H](O)C(C)C)nnn1-c1cccc(Br)c1 ZINC000483733085 566399684 /nfs/dbraw/zinc/39/96/84/566399684.db2.gz RUUPQCYTEFWLLX-BLLLJJGKSA-N 0 1 381.318 3.396 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000447270086 566399680 /nfs/dbraw/zinc/39/96/80/566399680.db2.gz FQEAEZLNMWTRKZ-OAHLLOKOSA-N 0 1 383.853 3.317 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000447274176 566399957 /nfs/dbraw/zinc/39/99/57/566399957.db2.gz LQLMFRVJAHXXID-UHFFFAOYSA-N 0 1 380.853 3.042 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000447276174 566400387 /nfs/dbraw/zinc/40/03/87/566400387.db2.gz ZZMXWYHHAWPBAU-UHFFFAOYSA-N 0 1 377.853 3.394 20 0 GGADMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447273062 566400417 /nfs/dbraw/zinc/40/04/17/566400417.db2.gz UPOQZPHUWLEXDF-UHFFFAOYSA-N 0 1 383.853 3.255 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC000447268134 566400428 /nfs/dbraw/zinc/40/04/28/566400428.db2.gz TVCXPKPVAFBWCV-UHFFFAOYSA-N 0 1 385.869 3.299 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000447277220 566400437 /nfs/dbraw/zinc/40/04/37/566400437.db2.gz GCBHLODCLIOGDU-UHFFFAOYSA-N 0 1 378.841 3.243 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N3CCSC(C)(C)C3)c12 ZINC000577065668 566401547 /nfs/dbraw/zinc/40/15/47/566401547.db2.gz BZMFBYTUEGESHQ-UHFFFAOYSA-N 0 1 380.539 3.091 20 0 GGADMN Cc1ccc(NC(=O)CCN[C@H](CCO)c2ccccc2Br)nc1 ZINC000447299754 566402145 /nfs/dbraw/zinc/40/21/45/566402145.db2.gz UCXIGYDKIBAEFP-MRXNPFEDSA-N 0 1 392.297 3.194 20 0 GGADMN O=C([O-])C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccs1 ZINC000671162460 566402394 /nfs/dbraw/zinc/40/23/94/566402394.db2.gz FWUNSBJGIZKUEF-AWEZNQCLSA-N 0 1 380.832 3.427 20 0 GGADMN Cn1cc(C=Cc2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)cn1 ZINC000671157845 566403223 /nfs/dbraw/zinc/40/32/23/566403223.db2.gz WLWAVUZXOTUAND-WAYWQWQTSA-N 0 1 398.224 3.188 20 0 GGADMN COc1c(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc(Cl)cc1C(N)=O ZINC000671167304 566403881 /nfs/dbraw/zinc/40/38/81/566403881.db2.gz HLCAYFLYHAVXRP-UHFFFAOYSA-N 0 1 393.223 3.041 20 0 GGADMN COc1ccc(S(=O)(=O)N(C)CCCN(C)Cc2ccco2)cc1Cl ZINC000510678529 566403803 /nfs/dbraw/zinc/40/38/03/566403803.db2.gz FKZFIZJZJFXCFX-UHFFFAOYSA-N 0 1 386.901 3.084 20 0 GGADMN COc1cc(Br)ccc1CCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000577096469 566404235 /nfs/dbraw/zinc/40/42/35/566404235.db2.gz BUUMSSSKHCMWSM-CYBMUJFWSA-N 0 1 395.301 3.094 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(SCC(F)F)cc1 ZINC000536831609 566404683 /nfs/dbraw/zinc/40/46/83/566404683.db2.gz INJOUCJZFFKOPJ-GFCCVEGCSA-N 0 1 380.526 3.412 20 0 GGADMN COc1cc(Br)ccc1CCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000577096475 566404832 /nfs/dbraw/zinc/40/48/32/566404832.db2.gz BUUMSSSKHCMWSM-ZDUSSCGKSA-N 0 1 395.301 3.094 20 0 GGADMN CN(CCCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1)Cc1ccco1 ZINC000510674656 566404797 /nfs/dbraw/zinc/40/47/97/566404797.db2.gz KOAFWWXPQZELNG-UHFFFAOYSA-N 0 1 388.892 3.356 20 0 GGADMN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000577108614 566405740 /nfs/dbraw/zinc/40/57/40/566405740.db2.gz ADMPFYHXYNEYJW-RNFRBKRXSA-N 0 1 390.130 3.160 20 0 GGADMN C[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000536855501 566406485 /nfs/dbraw/zinc/40/64/85/566406485.db2.gz BCELJKQCQROYQM-PWSUYJOCSA-N 0 1 382.860 3.016 20 0 GGADMN NC(=O)[C@H](NC1CC(OCc2ccccc2)C1)c1cccc(Br)c1 ZINC000463402648 566407035 /nfs/dbraw/zinc/40/70/35/566407035.db2.gz CSCUAZQSRLHIFK-DAWZGUTISA-N 0 1 389.293 3.313 20 0 GGADMN COCCO[C@H]1C[C@H](CO)CN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000447392871 566407415 /nfs/dbraw/zinc/40/74/15/566407415.db2.gz NAFDRABSBDAVQR-ZFWWWQNUSA-N 0 1 394.364 3.431 20 0 GGADMN COCCO[C@@H]1C[C@H](CO)CN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000447392661 566407641 /nfs/dbraw/zinc/40/76/41/566407641.db2.gz NAFDRABSBDAVQR-DZGCQCFKSA-N 0 1 394.364 3.431 20 0 GGADMN COCCO[C@H]1C[C@@H](CO)CN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000447392662 566407828 /nfs/dbraw/zinc/40/78/28/566407828.db2.gz NAFDRABSBDAVQR-HIFRSBDPSA-N 0 1 394.364 3.431 20 0 GGADMN CN(CCc1ccc(Cl)cc1)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000483943180 566407919 /nfs/dbraw/zinc/40/79/19/566407919.db2.gz KGYMWBGNEOZESQ-UHFFFAOYSA-N 0 1 380.941 3.276 20 0 GGADMN COc1cccc(CNC(=O)CN(C)CCc2cccc(Br)c2)c1 ZINC000463420108 566408266 /nfs/dbraw/zinc/40/82/66/566408266.db2.gz PKYBZASCZMKSMB-UHFFFAOYSA-N 0 1 391.309 3.248 20 0 GGADMN COc1cc(Br)c(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1O ZINC000577152487 566408732 /nfs/dbraw/zinc/40/87/32/566408732.db2.gz LUPLDPDNFMMFCE-KXBFYZLASA-N 0 1 392.293 3.419 20 0 GGADMN O=C(NCCN1CC[C@@H](O)C1)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000626398910 566408925 /nfs/dbraw/zinc/40/89/25/566408925.db2.gz ACFKPKXJKRJFED-LLVKDONJSA-N 0 1 397.850 3.183 20 0 GGADMN CN(CCN1CCCC1=O)Cc1cc(Br)cc(Br)c1 ZINC000577145822 566408977 /nfs/dbraw/zinc/40/89/77/566408977.db2.gz JSCYZHKGLQEBAW-UHFFFAOYSA-N 0 1 390.119 3.266 20 0 GGADMN CC(C)[C@@H](O)C(C)(C)CNCc1cn(-c2ccccc2Br)nn1 ZINC000577148448 566409208 /nfs/dbraw/zinc/40/92/08/566409208.db2.gz JLOYZTHNVJZPMV-MRXNPFEDSA-N 0 1 381.318 3.163 20 0 GGADMN CN(CCc1cccc(Br)c1)CC(=O)NCc1ccc(F)cc1 ZINC000463417244 566409509 /nfs/dbraw/zinc/40/95/09/566409509.db2.gz WSWKPNPGPHLSFV-UHFFFAOYSA-N 0 1 379.273 3.379 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000447430866 566410211 /nfs/dbraw/zinc/41/02/11/566410211.db2.gz JONHVYRERCDYDB-UHFFFAOYSA-N 0 1 377.941 3.421 20 0 GGADMN C[C@@H](CNC(=O)[C@@](C)(N)c1ccccc1)Oc1ccc(Br)cc1 ZINC000447450846 566410349 /nfs/dbraw/zinc/41/03/49/566410349.db2.gz QTFOHCYJRPWOKO-UGSOOPFHSA-N 0 1 377.282 3.207 20 0 GGADMN Cc1nc(NC(=O)[C@H]2C[C@H](F)CN2)sc1Cc1cccc(Br)c1 ZINC000447436014 566410980 /nfs/dbraw/zinc/41/09/80/566410980.db2.gz SSUSHGQXXLSADR-QWHCGFSZSA-N 0 1 398.301 3.443 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1nc(-c2ccccc2Cl)cs1 ZINC000510751457 566410952 /nfs/dbraw/zinc/41/09/52/566410952.db2.gz MBJDINPMTLKNHE-HUUCEWRRSA-N 0 1 399.969 3.414 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1Br ZINC000463437853 566411122 /nfs/dbraw/zinc/41/11/22/566411122.db2.gz GOVGTBPQOCRLIO-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN Cc1c(Cl)cccc1N1CCCN(C(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000671226977 566411683 /nfs/dbraw/zinc/41/16/83/566411683.db2.gz UTEUYUXAUBOEFL-INIZCTEOSA-N 0 1 381.973 3.124 20 0 GGADMN COc1cc(Cl)ccc1[C@H](C)NCCS(=O)(=O)NCc1ccccc1 ZINC000421826493 566411763 /nfs/dbraw/zinc/41/17/63/566411763.db2.gz SROIHWKXHHJZKX-AWEZNQCLSA-N 0 1 382.913 3.119 20 0 GGADMN COc1cc(Cl)ccc1[C@H](C)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000421823095 566411899 /nfs/dbraw/zinc/41/18/99/566411899.db2.gz CAAXPEKYWLCXDN-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)ccn1 ZINC000447498111 566412983 /nfs/dbraw/zinc/41/29/83/566412983.db2.gz XAJCMEPKQFTLAG-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN COCC[C@H](NCC(=O)Nc1nncs1)c1ccc(Cl)c(Cl)c1 ZINC000671247451 566413152 /nfs/dbraw/zinc/41/31/52/566413152.db2.gz HUZHMVFCWNRYIV-LBPRGKRZSA-N 0 1 375.281 3.151 20 0 GGADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCN(C2CCCC2)CC1 ZINC000510788413 566413365 /nfs/dbraw/zinc/41/33/65/566413365.db2.gz WUJKGFHAJKCHDL-UHFFFAOYSA-N 0 1 381.307 3.270 20 0 GGADMN CCN(CCN(Cc1ccccc1)S(C)(=O)=O)[C@@H](C)Cc1ccsc1 ZINC000484023713 566413498 /nfs/dbraw/zinc/41/34/98/566413498.db2.gz RSKAZMFTVOOXFC-KRWDZBQOSA-N 0 1 380.579 3.463 20 0 GGADMN CON1CCC(N[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000421868025 566413917 /nfs/dbraw/zinc/41/39/17/566413917.db2.gz BVMALVMLLJLWAF-GFCCVEGCSA-N 0 1 394.317 3.015 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OCC1CC1 ZINC000510789831 566413962 /nfs/dbraw/zinc/41/39/62/566413962.db2.gz CBARMSQNKJRQAK-DLBZAZTESA-N 0 1 386.945 3.079 20 0 GGADMN Cc1ccc(-c2csc(CN[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)n2)cc1 ZINC000510792475 566414228 /nfs/dbraw/zinc/41/42/28/566414228.db2.gz RSZSDXLWPUCMFH-CVEARBPZSA-N 0 1 379.551 3.069 20 0 GGADMN Cc1ccc(-c2csc(CN[C@H]3CCCC[C@@H]3NS(C)(=O)=O)n2)cc1 ZINC000510792476 566414289 /nfs/dbraw/zinc/41/42/89/566414289.db2.gz RSZSDXLWPUCMFH-HOTGVXAUSA-N 0 1 379.551 3.069 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CCN1C ZINC000577212961 566414322 /nfs/dbraw/zinc/41/43/22/566414322.db2.gz VNNODOBIUNWXTE-INIZCTEOSA-N 0 1 383.305 3.418 20 0 GGADMN COCc1ccccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)F ZINC000484066742 566414554 /nfs/dbraw/zinc/41/45/54/566414554.db2.gz BLUDYIFZKAQCDN-UHFFFAOYSA-N 0 1 375.368 3.417 20 0 GGADMN CC[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1cnn(C)c1 ZINC000447560654 566415830 /nfs/dbraw/zinc/41/58/30/566415830.db2.gz XJLDBEZBMMDXTP-AWEZNQCLSA-N 0 1 375.416 3.083 20 0 GGADMN Cc1cc(N2CCN(CCCOCC(F)(F)F)CC2)ncc1Br ZINC000536994448 566416750 /nfs/dbraw/zinc/41/67/50/566416750.db2.gz ZASMPCCXIHULOU-UHFFFAOYSA-N 0 1 396.251 3.244 20 0 GGADMN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1csc(=NC2CC2)[nH]1 ZINC000536998661 566416844 /nfs/dbraw/zinc/41/68/44/566416844.db2.gz DQDHOENAERUVOD-HIFRSBDPSA-N 0 1 381.860 3.192 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2Cc2ccccc2Br)[nH]1 ZINC000421919424 566416925 /nfs/dbraw/zinc/41/69/25/566416925.db2.gz MEHOFDXHNPGOOC-CYBMUJFWSA-N 0 1 395.326 3.201 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2Cc2ccccc2Br)n1 ZINC000421919424 566416930 /nfs/dbraw/zinc/41/69/30/566416930.db2.gz MEHOFDXHNPGOOC-CYBMUJFWSA-N 0 1 395.326 3.201 20 0 GGADMN CS[C@H](CO)[C@H](C)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484134219 566417695 /nfs/dbraw/zinc/41/76/95/566417695.db2.gz QEMKQRKSXUILJH-ZIBATOQPSA-N 0 1 399.358 3.101 20 0 GGADMN CS[C@H](CO)[C@H](C)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484134211 566417806 /nfs/dbraw/zinc/41/78/06/566417806.db2.gz QEMKQRKSXUILJH-FIXISWKDSA-N 0 1 399.358 3.101 20 0 GGADMN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484134214 566417952 /nfs/dbraw/zinc/41/79/52/566417952.db2.gz QEMKQRKSXUILJH-JRPNMDOOSA-N 0 1 399.358 3.101 20 0 GGADMN CS[C@H](CO)[C@@H](C)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484134217 566417974 /nfs/dbraw/zinc/41/79/74/566417974.db2.gz QEMKQRKSXUILJH-UEKVPHQBSA-N 0 1 399.358 3.101 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2ccc(C)c(S(C)(=O)=O)c2)s1 ZINC000447570896 566418165 /nfs/dbraw/zinc/41/81/65/566418165.db2.gz IATJEAITUUJIIE-CYBMUJFWSA-N 0 1 382.551 3.203 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cn1 ZINC000447609643 566418631 /nfs/dbraw/zinc/41/86/31/566418631.db2.gz MYMPLTGHLDMAAE-UHFFFAOYSA-N 0 1 375.841 3.075 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000557787521 566419312 /nfs/dbraw/zinc/41/93/12/566419312.db2.gz HNEFBDMMFFWLRI-UHFFFAOYSA-N 0 1 388.823 3.152 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000537042351 566419585 /nfs/dbraw/zinc/41/95/85/566419585.db2.gz JFTDHFUYMYHDMB-CYBMUJFWSA-N 0 1 395.272 3.434 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)cc(F)c1 ZINC000510929929 566420050 /nfs/dbraw/zinc/42/00/50/566420050.db2.gz PMIKHZXGYWKHJX-SNVBAGLBSA-N 0 1 392.830 3.386 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000484239157 566420228 /nfs/dbraw/zinc/42/02/28/566420228.db2.gz AVVMQPXMFJPCNR-UHFFFAOYSA-N 0 1 379.203 3.461 20 0 GGADMN COc1cccc(NS(=O)(=O)c2ccc(F)c(Br)c2)c1O ZINC000484226976 566420392 /nfs/dbraw/zinc/42/03/92/566420392.db2.gz ARRTXCSDLPROCP-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN C[C@@H](NCCC(=O)N1CCC[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000537075921 566420346 /nfs/dbraw/zinc/42/03/46/566420346.db2.gz KLOMPXNNHKTRAE-CHWSQXEVSA-N 0 1 397.313 3.272 20 0 GGADMN COC(=O)CC1(CN(CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC000510932093 566420577 /nfs/dbraw/zinc/42/05/77/566420577.db2.gz ADNPOTHYHPINSQ-UHFFFAOYSA-N 0 1 396.285 3.084 20 0 GGADMN C[C@H](NCCC(=O)N1CCC[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000537075924 566421337 /nfs/dbraw/zinc/42/13/37/566421337.db2.gz KLOMPXNNHKTRAE-STQMWFEESA-N 0 1 397.313 3.272 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2n[nH]c(C3CC3)n2)c1Cl ZINC000650082219 566421492 /nfs/dbraw/zinc/42/14/92/566421492.db2.gz GBEHULZYKKYVEC-UHFFFAOYSA-N 0 1 375.281 3.084 20 0 GGADMN CC(C)OC(=O)CCN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510951893 566422474 /nfs/dbraw/zinc/42/24/74/566422474.db2.gz MNDQCBORABLYBZ-UHFFFAOYSA-N 0 1 384.274 3.083 20 0 GGADMN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccccc1I ZINC000484279518 566423061 /nfs/dbraw/zinc/42/30/61/566423061.db2.gz GOWWGASJHQDNMG-UPJWGTAASA-N 0 1 375.250 3.136 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000671505445 566424742 /nfs/dbraw/zinc/42/47/42/566424742.db2.gz IGCTZCJNMONZMS-STQMWFEESA-N 0 1 386.323 3.148 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)NC2(Cc3ccccc3Br)CC2)n[nH]1 ZINC000577337862 566426366 /nfs/dbraw/zinc/42/63/66/566426366.db2.gz QEPINHBNWQKIIV-GFCCVEGCSA-N 0 1 391.313 3.486 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)CN1C ZINC000650148174 566427571 /nfs/dbraw/zinc/42/75/71/566427571.db2.gz JSIZDLNOPBUURE-BFHYXJOUSA-N 0 1 391.313 3.188 20 0 GGADMN COC(=O)C[C@]1(NCc2cc(Br)cc(C(F)(F)F)c2)CCOC1 ZINC000463696016 566427618 /nfs/dbraw/zinc/42/76/18/566427618.db2.gz AQLDXMLFTHYZFG-CQSZACIVSA-N 0 1 396.203 3.280 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000650149641 566427626 /nfs/dbraw/zinc/42/76/26/566427626.db2.gz GOTWLNOSBYCYFX-MCIONIFRSA-N 0 1 391.313 3.188 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)cc1OC ZINC000447778849 566427876 /nfs/dbraw/zinc/42/78/76/566427876.db2.gz QWLKJLNVBWWKPG-UHFFFAOYSA-N 0 1 381.841 3.343 20 0 GGADMN CS(=O)(=O)C[C@H](NCCOc1ccc(Br)cc1)c1ccccc1 ZINC000537175707 566428179 /nfs/dbraw/zinc/42/81/79/566428179.db2.gz XFOGYXKDEJRMTF-KRWDZBQOSA-N 0 1 398.322 3.203 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000650151134 566428194 /nfs/dbraw/zinc/42/81/94/566428194.db2.gz GKFJVVSTSWDTCW-MGPQQGTHSA-N 0 1 391.313 3.188 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000650151133 566428297 /nfs/dbraw/zinc/42/82/97/566428297.db2.gz GKFJVVSTSWDTCW-MCIONIFRSA-N 0 1 391.313 3.188 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000422037441 566428294 /nfs/dbraw/zinc/42/82/94/566428294.db2.gz PBYVFDFZQBRAID-OAHLLOKOSA-N 0 1 377.286 3.124 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000447772120 566428498 /nfs/dbraw/zinc/42/84/98/566428498.db2.gz HGJSLJDEFQGWJY-MRXNPFEDSA-N 0 1 376.869 3.446 20 0 GGADMN O=S(=O)(NCc1ccc(OC(F)F)cn1)c1c(Cl)ccc(F)c1F ZINC000557844340 566428446 /nfs/dbraw/zinc/42/84/46/566428446.db2.gz CBXBJBWHLJCKHV-UHFFFAOYSA-N 0 1 384.738 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CCN1CC(C)(C)O ZINC000626592850 566428444 /nfs/dbraw/zinc/42/84/44/566428444.db2.gz WVYLQHUNBLMIMM-LLVKDONJSA-N 0 1 378.822 3.276 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)CN1C ZINC000650149643 566428539 /nfs/dbraw/zinc/42/85/39/566428539.db2.gz GOTWLNOSBYCYFX-MJBXVCDLSA-N 0 1 391.313 3.188 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)CN1C ZINC000650149640 566428647 /nfs/dbraw/zinc/42/86/47/566428647.db2.gz GOTWLNOSBYCYFX-BFHYXJOUSA-N 0 1 391.313 3.188 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(OC)c1 ZINC000447781371 566428740 /nfs/dbraw/zinc/42/87/40/566428740.db2.gz YKAAESUAPDOMKK-UHFFFAOYSA-N 0 1 377.340 3.245 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000650151295 566428917 /nfs/dbraw/zinc/42/89/17/566428917.db2.gz JMRGTMQFGXMWSV-MCIONIFRSA-N 0 1 391.313 3.188 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)cc1OC ZINC000447790276 566429658 /nfs/dbraw/zinc/42/96/58/566429658.db2.gz ZNXGSOVOJGHATI-UHFFFAOYSA-N 0 1 381.841 3.343 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@H](CCO)CC1 ZINC000422062446 566429957 /nfs/dbraw/zinc/42/99/57/566429957.db2.gz WIVKHJZHJNQWKS-ZDUSSCGKSA-N 0 1 392.297 3.464 20 0 GGADMN CCN1CCCN(C(=O)c2c(Cl)cccc2I)CC1 ZINC000463752567 566430089 /nfs/dbraw/zinc/43/00/89/566430089.db2.gz CUKAWKTZFDCYLD-UHFFFAOYSA-N 0 1 392.668 3.112 20 0 GGADMN CCCCOc1ccccc1CNCCN(C)S(=O)(=O)c1cccs1 ZINC000463739949 566430266 /nfs/dbraw/zinc/43/02/66/566430266.db2.gz QPYISSRDSCVWQD-UHFFFAOYSA-N 0 1 382.551 3.337 20 0 GGADMN CC(C)Cc1ccc([C@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)[NH+](C)C)cc1 ZINC000557860970 566430420 /nfs/dbraw/zinc/43/04/20/566430420.db2.gz HMQIJVKIQSRQKL-CJNGLKHVSA-N 0 1 380.476 3.358 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000577380130 566430920 /nfs/dbraw/zinc/43/09/20/566430920.db2.gz SBKFMPAHOGBIGW-VIFPVBQESA-N 0 1 378.687 3.138 20 0 GGADMN CC[C@@H](NCCOc1ccc(I)cc1)c1nccn1C ZINC000511038801 566431513 /nfs/dbraw/zinc/43/15/13/566431513.db2.gz VNAIMKIUBRPEHP-CQSZACIVSA-N 0 1 385.249 3.144 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1c(Cl)cccc1I ZINC000463760002 566432191 /nfs/dbraw/zinc/43/21/91/566432191.db2.gz LTQHOPGMRDDZRB-JTQLQIEISA-N 0 1 392.668 3.111 20 0 GGADMN CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(OC(F)(F)F)c2)n[nH]1 ZINC000650184603 566433000 /nfs/dbraw/zinc/43/30/00/566433000.db2.gz RHTGNZCSBZYXTN-UHFFFAOYSA-N 0 1 377.388 3.116 20 0 GGADMN Clc1cc2c(cc1Br)OCCN2CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000537249753 566433574 /nfs/dbraw/zinc/43/35/74/566433574.db2.gz SDPJNGOSNDTJEW-TXEJJXNPSA-N 0 1 387.705 3.165 20 0 GGADMN CCOC(=O)CCc1c(C)[nH]n(Cc2cc(OC)ccc2Br)c1=O ZINC000601955477 566434480 /nfs/dbraw/zinc/43/44/80/566434480.db2.gz HZXJQDLVSDSEEB-AWEZNQCLSA-N 0 1 397.269 3.135 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000447822685 566435124 /nfs/dbraw/zinc/43/51/24/566435124.db2.gz ROEAYOGYLJSNDK-GFCCVEGCSA-N 0 1 380.407 3.093 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1F ZINC000671658064 566435083 /nfs/dbraw/zinc/43/50/83/566435083.db2.gz PBECPPJBHITUEL-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN CSc1ccc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1Br ZINC000626647167 566435480 /nfs/dbraw/zinc/43/54/80/566435480.db2.gz FWIOASNDVKMBRW-UHFFFAOYSA-N 0 1 382.287 3.488 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000447822686 566435539 /nfs/dbraw/zinc/43/55/39/566435539.db2.gz ROEAYOGYLJSNDK-LBPRGKRZSA-N 0 1 380.407 3.093 20 0 GGADMN COC(=O)c1occc1CNC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000537269701 566435667 /nfs/dbraw/zinc/43/56/67/566435667.db2.gz DPKZKVMOCPQASQ-ZDUSSCGKSA-N 0 1 393.281 3.445 20 0 GGADMN COCCN(Cc1cncs1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000447839084 566436047 /nfs/dbraw/zinc/43/60/47/566436047.db2.gz HFJNLFHSNOPHLV-UHFFFAOYSA-N 0 1 381.299 3.431 20 0 GGADMN CCN(CCNC(=O)c1ccc(Br)c(OC)c1)CCC(F)(F)F ZINC000626659072 566436824 /nfs/dbraw/zinc/43/68/24/566436824.db2.gz ZQAMEJRRNYEEOD-UHFFFAOYSA-N 0 1 397.235 3.462 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cccc3c2OCCCO3)cc1SC ZINC000650205302 566437616 /nfs/dbraw/zinc/43/76/16/566437616.db2.gz JQSVKBOYMPSSMB-UHFFFAOYSA-N 0 1 381.475 3.379 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000484569639 566437665 /nfs/dbraw/zinc/43/76/65/566437665.db2.gz QINVMFBYAJSSOD-UHFFFAOYSA-N 0 1 383.491 3.335 20 0 GGADMN Cc1cc(NC(=O)CCN(C)Cc2ccc(Br)cc2Cl)no1 ZINC000484581129 566437813 /nfs/dbraw/zinc/43/78/13/566437813.db2.gz FLYJUKXGZLRBJD-UHFFFAOYSA-N 0 1 386.677 3.281 20 0 GGADMN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000447848351 566438034 /nfs/dbraw/zinc/43/80/34/566438034.db2.gz BYAOUTGHHPJFLN-TZMCWYRMSA-N 0 1 389.359 3.094 20 0 GGADMN CC(=O)NCC[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000557976372 566438543 /nfs/dbraw/zinc/43/85/43/566438543.db2.gz PASGRUHXYXRABK-GFCCVEGCSA-N 0 1 380.901 3.170 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)CC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000671686794 566438800 /nfs/dbraw/zinc/43/88/00/566438800.db2.gz ZHVFRSSHNZSGDK-MSOLQXFVSA-N 0 1 388.961 3.211 20 0 GGADMN O=S(=O)(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1c(Cl)ccc(F)c1F ZINC000650215973 566438867 /nfs/dbraw/zinc/43/88/67/566438867.db2.gz DENZMAAWURLZQY-SMDDNHRTSA-N 0 1 388.823 3.212 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cc(OC)ccc2Cl)s1 ZINC000484601882 566438890 /nfs/dbraw/zinc/43/88/90/566438890.db2.gz HCSUJQPOEMVGRH-UHFFFAOYSA-N 0 1 391.854 3.006 20 0 GGADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cscn1 ZINC000484594768 566439046 /nfs/dbraw/zinc/43/90/46/566439046.db2.gz UUGDNRRNDXEJJW-UHFFFAOYSA-N 0 1 383.451 3.397 20 0 GGADMN CSc1ccccc1CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000511117587 566439328 /nfs/dbraw/zinc/43/93/28/566439328.db2.gz VVEZUWSLVCOHBP-UHFFFAOYSA-N 0 1 382.576 3.413 20 0 GGADMN O=S(=O)(N[C@H]1CCO[C@H](c2ccncc2)C1)c1c(Cl)ccc(F)c1F ZINC000650215971 566439406 /nfs/dbraw/zinc/43/94/06/566439406.db2.gz DENZMAAWURLZQY-FZMZJTMJSA-N 0 1 388.823 3.212 20 0 GGADMN CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1OC)c1ccco1 ZINC000671692044 566440153 /nfs/dbraw/zinc/44/01/53/566440153.db2.gz FEKMBJKYFVHCGB-OCCSQVGLSA-N 0 1 386.901 3.349 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000577500571 566440558 /nfs/dbraw/zinc/44/05/58/566440558.db2.gz WOWDHYVYFQEKEY-CMPLNLGQSA-N 0 1 394.693 3.027 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(CO)c2)s1 ZINC000537359048 566440513 /nfs/dbraw/zinc/44/05/13/566440513.db2.gz WJHBDHWZUGJFFA-AWEZNQCLSA-N 0 1 382.551 3.122 20 0 GGADMN Cc1cc(CNCCS(=O)(=O)c2cccc(Br)c2)cc(C)n1 ZINC000577504249 566440774 /nfs/dbraw/zinc/44/07/74/566440774.db2.gz YBPUGQMAFFPOOK-UHFFFAOYSA-N 0 1 383.311 3.024 20 0 GGADMN CCO[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000484632792 566441734 /nfs/dbraw/zinc/44/17/34/566441734.db2.gz BLPQYIJTNPCEIQ-UONOGXRCSA-N 0 1 380.794 3.081 20 0 GGADMN CN(CC(=O)NCCOCc1ccc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000537382823 566441826 /nfs/dbraw/zinc/44/18/26/566441826.db2.gz GLUDRJMSNMZDNY-CQSZACIVSA-N 0 1 377.337 3.064 20 0 GGADMN CCO[C@H]1COCC[C@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000484623167 566442387 /nfs/dbraw/zinc/44/23/87/566442387.db2.gz XRUNFVWTGURXIA-CVEARBPZSA-N 0 1 381.270 3.388 20 0 GGADMN CCO[C@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000484632790 566442403 /nfs/dbraw/zinc/44/24/03/566442403.db2.gz BLPQYIJTNPCEIQ-KGLIPLIRSA-N 0 1 380.794 3.081 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(F)c(Br)c(Cl)c2)C1 ZINC000671704411 566442494 /nfs/dbraw/zinc/44/24/94/566442494.db2.gz KTCSEJXBFOYVSO-LLVKDONJSA-N 0 1 393.684 3.082 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000537395237 566443351 /nfs/dbraw/zinc/44/33/51/566443351.db2.gz SSJNDCGKPRENFJ-UHFFFAOYSA-N 0 1 376.356 3.227 20 0 GGADMN O=C1[C@H](N(CCCO)Cc2cccc(Cl)c2)CCCN1CC(F)(F)F ZINC000447887335 566443738 /nfs/dbraw/zinc/44/37/38/566443738.db2.gz BJLJDHFUDGMDGS-OAHLLOKOSA-N 0 1 378.822 3.078 20 0 GGADMN CCS(=O)(=O)NCCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511180968 566444208 /nfs/dbraw/zinc/44/42/08/566444208.db2.gz HCYBGZNVOXBDMO-UHFFFAOYSA-N 0 1 377.337 3.412 20 0 GGADMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1nncs1 ZINC000650259382 566444422 /nfs/dbraw/zinc/44/44/22/566444422.db2.gz XXWDUASQQYVDSY-RRFJBIMHSA-N 0 1 376.551 3.140 20 0 GGADMN Cc1nn(C)c(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1Br ZINC000447900041 566444693 /nfs/dbraw/zinc/44/46/93/566444693.db2.gz 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KKUGJXNIVUIDJH-NSHDSACASA-N 0 1 392.302 3.292 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000602951105 566502149 /nfs/dbraw/zinc/50/21/49/566502149.db2.gz OYONHLYMFFEHMK-GFCCVEGCSA-N 0 1 397.313 3.169 20 0 GGADMN COc1ccc(Br)c(CC(=O)N2CCNC[C@@H]2c2ccccc2)c1 ZINC000424005261 566502282 /nfs/dbraw/zinc/50/22/82/566502282.db2.gz SOKQDBGGZHVEPX-GOSISDBHSA-N 0 1 389.293 3.173 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000672724095 566502505 /nfs/dbraw/zinc/50/25/05/566502505.db2.gz ZJISBHFFWSFREW-RDJZCZTQSA-N 0 1 381.929 3.080 20 0 GGADMN CO[C@H](c1ccccc1F)[C@@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000538284967 566502810 /nfs/dbraw/zinc/50/28/10/566502810.db2.gz NAUSOQXCKVTZGJ-PSLIRLAXSA-N 0 1 377.359 3.298 20 0 GGADMN O=C(COc1cccc(Br)c1)N1CCNC[C@H]1c1ccccc1 ZINC000424012252 566502930 /nfs/dbraw/zinc/50/29/30/566502930.db2.gz ZSPGKIGAABTSRI-KRWDZBQOSA-N 0 1 375.266 3.001 20 0 GGADMN Cc1cc([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)sc1Br ZINC000511993042 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O=C1C[C@]2(CN1)CCCN(Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000464799492 566505124 /nfs/dbraw/zinc/50/51/24/566505124.db2.gz PAVSRQLCNUKHOM-SFHVURJKSA-N 0 1 390.281 3.206 20 0 GGADMN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000578251519 566505329 /nfs/dbraw/zinc/50/53/29/566505329.db2.gz CKSPFDMFKZKXDP-INIZCTEOSA-N 0 1 376.975 3.179 20 0 GGADMN O=C1C[C@@]2(CN1)CCCN(Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000464794096 566505320 /nfs/dbraw/zinc/50/53/20/566505320.db2.gz LGDFUBBAVDYFJY-GOSISDBHSA-N 0 1 390.281 3.206 20 0 GGADMN COc1ccc(CNCCNC(=O)c2ccccc2F)c(Br)c1 ZINC000512013537 566505738 /nfs/dbraw/zinc/50/57/38/566505738.db2.gz BXSUZCXUHUGFAZ-UHFFFAOYSA-N 0 1 381.245 3.116 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2ccc(Br)c(OC(C)C)c2)C1 ZINC000651273114 566505853 /nfs/dbraw/zinc/50/58/53/566505853.db2.gz AYCNACDRLUDCGG-OAHLLOKOSA-N 0 1 399.329 3.077 20 0 GGADMN O[C@H](CNCc1cscc1Br)COc1ccc(F)c(F)c1 ZINC000512028955 566507038 /nfs/dbraw/zinc/50/70/38/566507038.db2.gz ZDHZIJFKTRYHDJ-SNVBAGLBSA-N 0 1 378.238 3.318 20 0 GGADMN CCSCC[C@H](C)N(C)CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000464851441 566506852 /nfs/dbraw/zinc/50/68/52/566506852.db2.gz KAIOPHXEHNRPDT-ZDUSSCGKSA-N 0 1 385.961 3.167 20 0 GGADMN CC(C)[C@H](CNc1ncnc2cc(Br)sc21)N1CCN(C)CC1 ZINC000651296790 566507179 /nfs/dbraw/zinc/50/71/79/566507179.db2.gz JQKBSEBPZFKUOG-ZDUSSCGKSA-N 0 1 398.374 3.138 20 0 GGADMN CC(C)OC(C)(C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000448875950 566507528 /nfs/dbraw/zinc/50/75/28/566507528.db2.gz UZNIXEQYIDQACY-UHFFFAOYSA-N 0 1 381.274 3.054 20 0 GGADMN CC(C)OC(C)(C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000448875950 566507531 /nfs/dbraw/zinc/50/75/31/566507531.db2.gz UZNIXEQYIDQACY-UHFFFAOYSA-N 0 1 381.274 3.054 20 0 GGADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(F)(F)F ZINC000578287856 566507564 /nfs/dbraw/zinc/50/75/64/566507564.db2.gz MFWUAMFFWFLRCR-RMLUDKJBSA-N 0 1 398.834 3.480 20 0 GGADMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(F)(F)F ZINC000578287855 566507930 /nfs/dbraw/zinc/50/79/30/566507930.db2.gz MFWUAMFFWFLRCR-CLAHSXSESA-N 0 1 398.834 3.480 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ncc(I)s1 ZINC000512052283 566508026 /nfs/dbraw/zinc/50/80/26/566508026.db2.gz LVGVUQUSVTYKHJ-VHSXEESVSA-N 0 1 380.295 3.431 20 0 GGADMN COC(=O)c1occc1CN[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000538393249 566509788 /nfs/dbraw/zinc/50/97/88/566509788.db2.gz RCDUEJATXRZYMO-CQSZACIVSA-N 0 1 379.254 3.197 20 0 GGADMN Cc1nc(C)c(CCNCc2ncc(I)s2)s1 ZINC000512067513 566510052 /nfs/dbraw/zinc/51/00/52/566510052.db2.gz LRCVJXZSSOHTEO-UHFFFAOYSA-N 0 1 379.292 3.153 20 0 GGADMN COc1cc2nccc(N3CC[C@H](C)S(=O)(=O)CC3)c2cc1Br ZINC000578317269 566510698 /nfs/dbraw/zinc/51/06/98/566510698.db2.gz OYOLUWVXKRBOGC-NSHDSACASA-N 0 1 399.310 3.019 20 0 GGADMN Ic1cnc(CNC[C@@H]2CCOc3ccccc32)s1 ZINC000512081703 566512320 /nfs/dbraw/zinc/51/23/20/566512320.db2.gz DHBGOTFUICICJO-JTQLQIEISA-N 0 1 386.258 3.404 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000627836617 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O=C(c1cc(Br)cs1)N1CCC(CCN2CCOCC2)CC1 ZINC000558950822 566516448 /nfs/dbraw/zinc/51/64/48/566516448.db2.gz JFDONAHNCRJUJL-UHFFFAOYSA-N 0 1 387.343 3.085 20 0 GGADMN Cc1cc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c2cc(Br)ccc2n1 ZINC000512144454 566516562 /nfs/dbraw/zinc/51/65/62/566516562.db2.gz BDYAZKFGDFSLFG-QWHCGFSZSA-N 0 1 376.298 3.470 20 0 GGADMN COc1ccc(CNCCCS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000512143230 566516764 /nfs/dbraw/zinc/51/67/64/566516764.db2.gz FABRUYYLEVHUSL-UHFFFAOYSA-N 0 1 398.322 3.411 20 0 GGADMN O=C(NCCOCc1ccc(Cl)cc1Cl)N1CCN(C2CCC2)CC1 ZINC000538515322 566517258 /nfs/dbraw/zinc/51/72/58/566517258.db2.gz SFXOZBLZCAUWJU-UHFFFAOYSA-N 0 1 386.323 3.390 20 0 GGADMN CC[C@H](NC(=O)[C@H](C)CN1CCOCC1)c1cc(F)cc(Br)c1 ZINC000485670508 566517332 /nfs/dbraw/zinc/51/73/32/566517332.db2.gz MJFOLSLELPFBDL-WBMJQRKESA-N 0 1 387.293 3.124 20 0 GGADMN Fc1cccc(F)c1CCNCc1ncc(I)s1 ZINC000512148386 566517430 /nfs/dbraw/zinc/51/74/30/566517430.db2.gz OAIVYGJMKYAQEF-UHFFFAOYSA-N 0 1 380.201 3.358 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCCOCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000538512198 566517655 /nfs/dbraw/zinc/51/76/55/566517655.db2.gz GOEWGNUYWZNCRB-SNVBAGLBSA-N 0 1 386.283 3.251 20 0 GGADMN COCC(C)(C)N1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000651358661 566517912 /nfs/dbraw/zinc/51/79/12/566517912.db2.gz PNQZPEOZMHBKFM-UHFFFAOYSA-N 0 1 385.331 3.001 20 0 GGADMN CS(=O)(=O)CCCCNCc1csc(COc2ccc(Cl)cc2)n1 ZINC000424174670 566517905 /nfs/dbraw/zinc/51/79/05/566517905.db2.gz SAMJJIDWOSPKIT-UHFFFAOYSA-N 0 1 388.942 3.290 20 0 GGADMN CCc1ncc(CN(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000485692957 566517915 /nfs/dbraw/zinc/51/79/15/566517915.db2.gz HBTVPPPDSCARLZ-AWEZNQCLSA-N 0 1 379.551 3.438 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)n[nH]1 ZINC000558996132 566517970 /nfs/dbraw/zinc/51/79/70/566517970.db2.gz IPBVZKSYVQANAJ-BDAKNGLRSA-N 0 1 384.267 3.441 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)c1cnc2c(cnn2C)c1O ZINC000512172091 566518664 /nfs/dbraw/zinc/51/86/64/566518664.db2.gz 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ZINC000578650212 566542798 /nfs/dbraw/zinc/54/27/98/566542798.db2.gz IDTVCKSEUDSLEL-UHFFFAOYSA-N 0 1 397.276 3.413 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNCCC(C)(C)O ZINC000449259174 566543144 /nfs/dbraw/zinc/54/31/44/566543144.db2.gz SMFRLEMGNJQIFC-UHFFFAOYSA-N 0 1 386.279 3.216 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(COCC4CC4)n3)n2)c1 ZINC000578678468 566543606 /nfs/dbraw/zinc/54/36/06/566543606.db2.gz VHNVSCOFJVXWIB-UHFFFAOYSA-N 0 1 376.214 3.211 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000651622382 566543583 /nfs/dbraw/zinc/54/35/83/566543583.db2.gz XPIKFFJSUOTMTB-AWEZNQCLSA-N 0 1 380.901 3.045 20 0 GGADMN COC1CCN(C2(CNS(=O)(=O)c3sc(C)cc3C)CCCC2)CC1 ZINC000559353409 566543791 /nfs/dbraw/zinc/54/37/91/566543791.db2.gz FNIGKBGPPLXRBG-UHFFFAOYSA-N 0 1 386.583 3.067 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000673577255 566543887 /nfs/dbraw/zinc/54/38/87/566543887.db2.gz GZHHRHYBSVZULA-BEFAXECRSA-N 0 1 376.547 3.350 20 0 GGADMN Cc1cc(Br)c(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1Cl ZINC000449284005 566543964 /nfs/dbraw/zinc/54/39/64/566543964.db2.gz NQSMSEBWIQPJJM-GJZGRUSLSA-N 0 1 398.732 3.352 20 0 GGADMN O=C1c2ccccc2CCN1CCNCc1cccc(F)c1Br ZINC000449271983 566544292 /nfs/dbraw/zinc/54/42/92/566544292.db2.gz VBRHTDWJXDQIKO-UHFFFAOYSA-N 0 1 377.257 3.376 20 0 GGADMN Cc1oc(Br)cc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000424607112 566544935 /nfs/dbraw/zinc/54/49/35/566544935.db2.gz TXOUSSVTERSIMF-UHFFFAOYSA-N 0 1 378.270 3.140 20 0 GGADMN COc1cccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1OC ZINC000559359608 566545307 /nfs/dbraw/zinc/54/53/07/566545307.db2.gz ULZXFPGIBCSSNY-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN Cc1cc(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)ccc1Cl ZINC000512616089 566545433 /nfs/dbraw/zinc/54/54/33/566545433.db2.gz BBTFWTTZJWVTBP-UHFFFAOYSA-N 0 1 381.929 3.100 20 0 GGADMN CCN1C[C@H](C)N(c2ncc(Cn3cc(Br)cn3)s2)C[C@H]1C ZINC000485979244 566546048 /nfs/dbraw/zinc/54/60/48/566546048.db2.gz JWCVYLDNYDVBEK-NEPJUHHUSA-N 0 1 384.347 3.069 20 0 GGADMN CCn1nnc(C)c1CNCc1ccc(I)c(Cl)c1 ZINC000449305234 566546396 /nfs/dbraw/zinc/54/63/96/566546396.db2.gz FJKZOYBSHGVDSY-UHFFFAOYSA-N 0 1 390.656 3.154 20 0 GGADMN Cc1csc2nc(CN3CC[C@@H](Oc4ccc(Cl)cc4)C3)cc(=O)n12 ZINC000559400590 566547501 /nfs/dbraw/zinc/54/75/01/566547501.db2.gz NDJHUEYOJVHAQU-MRXNPFEDSA-N 0 1 375.881 3.371 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CCN1C ZINC000486004178 566547643 /nfs/dbraw/zinc/54/76/43/566547643.db2.gz UHUUJWGAGGMWRJ-GXFFZTMASA-N 0 1 395.750 3.005 20 0 GGADMN Cc1cccc(Br)c1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000486006044 566548070 /nfs/dbraw/zinc/54/80/70/566548070.db2.gz PQTHTEGCCHOWHC-UHFFFAOYSA-N 0 1 395.341 3.332 20 0 GGADMN O=C(CNCc1cc(F)cc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000449308315 566548295 /nfs/dbraw/zinc/54/82/95/566548295.db2.gz WGIFFHAQBDFLQN-INIZCTEOSA-N 0 1 393.256 3.318 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000486008894 566548911 /nfs/dbraw/zinc/54/89/11/566548911.db2.gz XDEAHQHFWWHAOG-LBPRGKRZSA-N 0 1 397.371 3.256 20 0 GGADMN CC(C)[C@]1(CO)CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000559425799 566549336 /nfs/dbraw/zinc/54/93/36/566549336.db2.gz UHGSUXIFOBPMLX-IEBWSBKVSA-N 0 1 395.341 3.285 20 0 GGADMN CSCC[C@H](NCc1cnc(CCc2ccccc2)s1)C(=O)N(C)C ZINC000449328728 566549763 /nfs/dbraw/zinc/54/97/63/566549763.db2.gz KWPYZORBOATRBV-KRWDZBQOSA-N 0 1 377.579 3.228 20 0 GGADMN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CC1CCC1 ZINC000538938940 566549969 /nfs/dbraw/zinc/54/99/69/566549969.db2.gz KCBARUXRGJCIMB-UHFFFAOYSA-N 0 1 378.460 3.199 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)c1nc[nH]n1 ZINC000512684740 566551150 /nfs/dbraw/zinc/55/11/50/566551150.db2.gz KPWOHSBZDGPGLB-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000604058807 566552360 /nfs/dbraw/zinc/55/23/60/566552360.db2.gz RYAZQHMCQUIGGA-OAHLLOKOSA-N 0 1 382.888 3.422 20 0 GGADMN CCN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCOC1 ZINC000604052075 566552891 /nfs/dbraw/zinc/55/28/91/566552891.db2.gz FXOADVFDCXYZQW-NSHDSACASA-N 0 1 375.694 3.399 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000651705593 566553602 /nfs/dbraw/zinc/55/36/02/566553602.db2.gz YFECEEBWFBLQAW-NWDGAFQWSA-N 0 1 393.372 3.066 20 0 GGADMN O=c1ccc(Br)cn1CCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449378018 566553921 /nfs/dbraw/zinc/55/39/21/566553921.db2.gz QCODFDZCODTWQQ-GFCCVEGCSA-N 0 1 387.199 3.305 20 0 GGADMN COc1ccc(CNC(=O)c2c(C)n[nH]c2C(F)(F)F)cc1Br ZINC000673739128 566554079 /nfs/dbraw/zinc/55/40/79/566554079.db2.gz UKKAITOIHWIKPI-UHFFFAOYSA-N 0 1 392.175 3.438 20 0 GGADMN COc1ccc(Br)c(CNC(=O)c2c(C)n[nH]c2C(F)(F)F)c1 ZINC000673736738 566554397 /nfs/dbraw/zinc/55/43/97/566554397.db2.gz OUSRCBTYFYFNTJ-UHFFFAOYSA-N 0 1 392.175 3.438 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000673740036 566554628 /nfs/dbraw/zinc/55/46/28/566554628.db2.gz BUFGGKNGIJIJCU-MRXNPFEDSA-N 0 1 399.329 3.077 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1ccc(Br)cc1 ZINC000673743256 566554695 /nfs/dbraw/zinc/55/46/95/566554695.db2.gz QRTOGOGUQVUNML-UHFFFAOYSA-N 0 1 376.176 3.472 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1C ZINC000512763309 566555342 /nfs/dbraw/zinc/55/53/42/566555342.db2.gz KJOHPGDBZINZOO-RYUDHWBXSA-N 0 1 382.423 3.386 20 0 GGADMN Cc1sc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1Br ZINC000424672036 566555571 /nfs/dbraw/zinc/55/55/71/566555571.db2.gz AOIYDZQQXXDANI-UHFFFAOYSA-N 0 1 396.310 3.232 20 0 GGADMN CSCC[C@@H](CO)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539059676 566555710 /nfs/dbraw/zinc/55/57/10/566555710.db2.gz DFHWVMPQUWEFNC-RISCZKNCSA-N 0 1 399.358 3.103 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000512761388 566555755 /nfs/dbraw/zinc/55/57/55/566555755.db2.gz ANHOOCBTFCYLHF-UHFFFAOYSA-N 0 1 387.816 3.276 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1C ZINC000512763307 566555774 /nfs/dbraw/zinc/55/57/74/566555774.db2.gz KJOHPGDBZINZOO-NEPJUHHUSA-N 0 1 382.423 3.386 20 0 GGADMN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000539061635 566555880 /nfs/dbraw/zinc/55/58/80/566555880.db2.gz NBYRDVCDQOACFP-JOYOIKCWSA-N 0 1 390.119 3.483 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](C)C1 ZINC000512774837 566556198 /nfs/dbraw/zinc/55/61/98/566556198.db2.gz JIIGIFYSPROJLS-NEPJUHHUSA-N 0 1 382.423 3.243 20 0 GGADMN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000539045384 566556383 /nfs/dbraw/zinc/55/63/83/566556383.db2.gz LNJFGFYCELXDHI-KOLCDFICSA-N 0 1 383.366 3.446 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](Cc1ccccc1)OC ZINC000449392006 566556428 /nfs/dbraw/zinc/55/64/28/566556428.db2.gz GZBIQGQZZRPKQA-QGZVFWFLSA-N 0 1 381.925 3.481 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccccc2Br)cc1 ZINC000539039883 566556502 /nfs/dbraw/zinc/55/65/02/566556502.db2.gz HKSSXDBFWQGHFS-AWEZNQCLSA-N 0 1 397.338 3.387 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H](C)c2ccccc2N(C)C)c(C)s1 ZINC000539051377 566556650 /nfs/dbraw/zinc/55/66/50/566556650.db2.gz HFDOSSSADLWQJA-CQSZACIVSA-N 0 1 381.567 3.060 20 0 GGADMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1C[C@H](O)COCc1cccs1 ZINC000578830317 566557449 /nfs/dbraw/zinc/55/74/49/566557449.db2.gz LZCNVVNTOMOMJL-QAPCUYQASA-N 0 1 380.941 3.490 20 0 GGADMN C[C@H]1CN(c2cccc(Cl)c2)CCN1C[C@@H](O)COCc1cccs1 ZINC000578830316 566557774 /nfs/dbraw/zinc/55/77/74/566557774.db2.gz LZCNVVNTOMOMJL-MAUKXSAKSA-N 0 1 380.941 3.490 20 0 GGADMN O=C1[C@H](N[C@@H]2CCc3c2cc(Br)cc3F)CCN1CC(F)(F)F ZINC000539080481 566558420 /nfs/dbraw/zinc/55/84/20/566558420.db2.gz UIUDGSFPMNWWRS-CHWSQXEVSA-N 0 1 395.194 3.328 20 0 GGADMN COc1cc(CNCc2ccnc(C)c2)cc(I)c1OC ZINC000449400750 566558489 /nfs/dbraw/zinc/55/84/89/566558489.db2.gz CUIYKFLPGNCPFF-UHFFFAOYSA-N 0 1 398.244 3.302 20 0 GGADMN O=C(CCc1cnc[nH]1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000628478570 566558890 /nfs/dbraw/zinc/55/88/90/566558890.db2.gz ICENJGOINFRRCW-HNNXBMFYSA-N 0 1 380.311 3.498 20 0 GGADMN CC(C)(C[C@@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1)C(N)=O ZINC000449408840 566559048 /nfs/dbraw/zinc/55/90/48/566559048.db2.gz LUKGEUNWFWOTOX-LBPRGKRZSA-N 0 1 397.313 3.291 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)c(C)cc2C)cn1 ZINC000486115429 566559617 /nfs/dbraw/zinc/55/96/17/566559617.db2.gz KSLPRBJMWTZUKK-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cs1 ZINC000486119563 566559735 /nfs/dbraw/zinc/55/97/35/566559735.db2.gz LBTIYWMRHPNSCL-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN CCOC(=O)c1cc(NS(=O)(=O)c2c[nH]c3ncccc23)ccc1Cl ZINC000604376958 566562347 /nfs/dbraw/zinc/56/23/47/566562347.db2.gz AOJFHPJWJNLLEC-UHFFFAOYSA-N 0 1 379.825 3.194 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)Cc1ccccc1 ZINC000578875558 566562639 /nfs/dbraw/zinc/56/26/39/566562639.db2.gz SHIIFYKXWQEPAL-SFHVURJKSA-N 0 1 392.293 3.329 20 0 GGADMN CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673884748 566563403 /nfs/dbraw/zinc/56/34/03/566563403.db2.gz YRKKMNCATADBMD-UHFFFAOYSA-N 0 1 384.889 3.126 20 0 GGADMN Cc1cccnc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000578899652 566564037 /nfs/dbraw/zinc/56/40/37/566564037.db2.gz CHEWNYHVHZLFDV-JKSUJKDBSA-N 0 1 375.266 3.453 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(C2CCC2)CC1)Oc1cccc(Br)c1 ZINC000466303874 566564715 /nfs/dbraw/zinc/56/47/15/566564715.db2.gz ZLWJDFMOKVKDCN-AWEZNQCLSA-N 0 1 396.329 3.096 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2ccc(I)cc2)CCN1C ZINC000486160784 566564989 /nfs/dbraw/zinc/56/49/89/566564989.db2.gz CXKFOZSMDZCNHV-AWEZNQCLSA-N 0 1 387.265 3.095 20 0 GGADMN Cc1ccc(CNCc2cccc(S(=O)(=O)N(C)C)c2)cc1Br ZINC000449468119 566565471 /nfs/dbraw/zinc/56/54/71/566565471.db2.gz CRJJVEBCQACDPS-UHFFFAOYSA-N 0 1 397.338 3.298 20 0 GGADMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(SC)c2C)c1 ZINC000539192084 566565788 /nfs/dbraw/zinc/56/57/88/566565788.db2.gz JDSVNODQTNAVDI-UHFFFAOYSA-N 0 1 381.475 3.313 20 0 GGADMN COc1ccc(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(Br)c1 ZINC000512885964 566565945 /nfs/dbraw/zinc/56/59/45/566565945.db2.gz VHUPNRNAYRSPHB-OAHLLOKOSA-N 0 1 396.329 3.228 20 0 GGADMN O[C@@H]1CCC[C@H]1[C@@H]1CCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000449470750 566566489 /nfs/dbraw/zinc/56/64/89/566566489.db2.gz OBVVOQQOONVBBG-QILLFSRXSA-N 0 1 391.313 3.155 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000539195396 566566567 /nfs/dbraw/zinc/56/65/67/566566567.db2.gz WPCYKLNVOXIRNJ-UHFFFAOYSA-N 0 1 379.912 3.055 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1cc(F)c(Br)cc1F ZINC000628573198 566566740 /nfs/dbraw/zinc/56/67/40/566566740.db2.gz LZDAYWGUHFDPFK-NXEZZACHSA-N 0 1 393.297 3.342 20 0 GGADMN COc1ccc(Br)c(CN[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000512884598 566566767 /nfs/dbraw/zinc/56/67/67/566566767.db2.gz GAMLBVOHEYZHMR-OAHLLOKOSA-N 0 1 396.329 3.228 20 0 GGADMN Cc1nc(CCNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)n[nH]1 ZINC000539198886 566567644 /nfs/dbraw/zinc/56/76/44/566567644.db2.gz WIOFDWPVTBOSAU-UHFFFAOYSA-N 0 1 399.669 3.274 20 0 GGADMN Cc1nnc(CCNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)[nH]1 ZINC000539198886 566567651 /nfs/dbraw/zinc/56/76/51/566567651.db2.gz WIOFDWPVTBOSAU-UHFFFAOYSA-N 0 1 399.669 3.274 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CNCc2ccc(C(F)(F)F)s2)c1 ZINC000449473919 566567861 /nfs/dbraw/zinc/56/78/61/566567861.db2.gz UCCCRXVXJNYVCJ-UHFFFAOYSA-N 0 1 378.441 3.307 20 0 GGADMN Cc1noc(C)c1N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000673968127 566568514 /nfs/dbraw/zinc/56/85/14/566568514.db2.gz TZVLRPIDDUFWLK-UHFFFAOYSA-N 0 1 376.210 3.172 20 0 GGADMN CCc1[nH]ncc1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000604536389 566568543 /nfs/dbraw/zinc/56/85/43/566568543.db2.gz LTISCAFMLBAOQZ-UHFFFAOYSA-N 0 1 377.132 3.107 20 0 GGADMN COc1cc(C)c(C[C@@H](C)NCc2nn(C)cc2Br)cc1OC ZINC000449483046 566569664 /nfs/dbraw/zinc/56/96/64/566569664.db2.gz FXOMRJIIZCDKBS-GFCCVEGCSA-N 0 1 382.302 3.229 20 0 GGADMN O=C1C[C@H](NCc2cncc(Br)c2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000466364972 566569589 /nfs/dbraw/zinc/56/95/89/566569589.db2.gz 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566577632 /nfs/dbraw/zinc/57/76/32/566577632.db2.gz WQLLIBPZEUSCSC-CQSZACIVSA-N 0 1 379.551 3.162 20 0 GGADMN O=C1C[C@H](NCc2cncc(Br)c2)CN1c1ccccc1Cl ZINC000466470493 566577837 /nfs/dbraw/zinc/57/78/37/566577837.db2.gz MAWNEHVBZSXFKN-ZDUSSCGKSA-N 0 1 380.673 3.393 20 0 GGADMN O=S1(=O)CCc2cc(CNCc3cc(F)cc(Br)c3)ccc21 ZINC000579078140 566577900 /nfs/dbraw/zinc/57/79/00/566577900.db2.gz DSUFWFSASBYCHE-UHFFFAOYSA-N 0 1 384.270 3.208 20 0 GGADMN CN1C(=O)C[C@@H](NCc2cncc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000466475401 566578266 /nfs/dbraw/zinc/57/82/66/566578266.db2.gz SRJXVRVSWNFCJP-WBVHZDCISA-N 0 1 396.235 3.184 20 0 GGADMN O=C1C[C@@H](NCc2cncc(Br)c2)CN1c1ccccc1Cl ZINC000466470492 566578282 /nfs/dbraw/zinc/57/82/82/566578282.db2.gz MAWNEHVBZSXFKN-CYBMUJFWSA-N 0 1 380.673 3.393 20 0 GGADMN CN1C(=O)C[C@@H](NCc2cncc(Br)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000466475399 566578515 /nfs/dbraw/zinc/57/85/15/566578515.db2.gz SRJXVRVSWNFCJP-NVXWUHKLSA-N 0 1 396.235 3.184 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)nc1C ZINC000466470607 566578688 /nfs/dbraw/zinc/57/86/88/566578688.db2.gz OAHVYZMAJHRQIF-UHFFFAOYSA-N 0 1 380.214 3.053 20 0 GGADMN C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)C[C@H](C)N1C ZINC000513108316 566579562 /nfs/dbraw/zinc/57/95/62/566579562.db2.gz MNJTZNFZWCUCEI-PHIMTYICSA-N 0 1 375.694 3.032 20 0 GGADMN Cc1cc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c2cc(Br)ccc2n1 ZINC000513083886 566579655 /nfs/dbraw/zinc/57/96/55/566579655.db2.gz RSTOIHZOARMOGH-BETUJISGSA-N 0 1 376.298 3.470 20 0 GGADMN Cc1ccc([C@H](NC[C@@H](O)CS(=O)(=O)c2cccs2)C2CCCC2)o1 ZINC000539409526 566580060 /nfs/dbraw/zinc/58/00/60/566580060.db2.gz HVWHTUNPKOQHGC-CRAIPNDOSA-N 0 1 383.535 3.305 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000579119066 566582005 /nfs/dbraw/zinc/58/20/05/566582005.db2.gz HUDMNCCHKLKJON-CYBMUJFWSA-N 0 1 397.294 3.496 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000579119066 566582008 /nfs/dbraw/zinc/58/20/08/566582008.db2.gz 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LQXKCWCZENREQL-DZGCQCFKSA-N 0 1 381.261 3.451 20 0 GGADMN COCCC1(CNCc2nn(C)cc2I)CCCCC1 ZINC000449604832 566583815 /nfs/dbraw/zinc/58/38/15/566583815.db2.gz LKTFHPFKNYPTAC-UHFFFAOYSA-N 0 1 391.297 3.101 20 0 GGADMN COc1ccc([C@@H](C)[C@@H](C)NCc2nn(C)cc2I)cc1 ZINC000449604575 566583895 /nfs/dbraw/zinc/58/38/95/566583895.db2.gz KWPWTVVEQJHNSU-NWDGAFQWSA-N 0 1 399.276 3.315 20 0 GGADMN OC[C@@H](CNCc1ccn(C(F)F)n1)Cc1cc(Br)ccc1F ZINC000449604254 566583947 /nfs/dbraw/zinc/58/39/47/566583947.db2.gz WWXAJAJJRPNIHT-SNVBAGLBSA-N 0 1 392.219 3.121 20 0 GGADMN COc1c(NS(=O)(=O)c2ccccc2C(C)C)cc(Cl)cc1C(N)=O ZINC000560010674 566584774 /nfs/dbraw/zinc/58/47/74/566584774.db2.gz FAQFPEKNSFDDJG-UHFFFAOYSA-N 0 1 382.869 3.372 20 0 GGADMN CC1(C)C[C@@H](O)CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000449619506 566584787 /nfs/dbraw/zinc/58/47/87/566584787.db2.gz PLUMWOJMMPITKP-KRWDZBQOSA-N 0 1 397.357 3.269 20 0 GGADMN CC1(C)C[C@H](O)CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000449619507 566585142 /nfs/dbraw/zinc/58/51/42/566585142.db2.gz PLUMWOJMMPITKP-QGZVFWFLSA-N 0 1 397.357 3.269 20 0 GGADMN COCc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3OC)ccc2o1 ZINC000674334046 566585557 /nfs/dbraw/zinc/58/55/57/566585557.db2.gz YNFISBCEKOTPTH-UHFFFAOYSA-N 0 1 382.825 3.437 20 0 GGADMN C[C@@H]1OCC[C@]12CN(CCOc1cc(F)cc(Br)c1)C[C@@H](C)O2 ZINC000560018474 566586599 /nfs/dbraw/zinc/58/65/99/566586599.db2.gz PKKFEGAQWRXRCH-IGCXYCKISA-N 0 1 388.277 3.235 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cc(Br)c2c(c1)OCCCO2 ZINC000579175402 566586639 /nfs/dbraw/zinc/58/66/39/566586639.db2.gz RQFVOXBGVJSOAC-IZOOLLGQSA-N 0 1 394.309 3.466 20 0 GGADMN CC(C)OC(=O)[C@H](C)NC1CCN(Cc2ccccc2Br)CC1 ZINC000449668742 566586907 /nfs/dbraw/zinc/58/69/07/566586907.db2.gz WWJLBIPFMSUOIP-AWEZNQCLSA-N 0 1 383.330 3.343 20 0 GGADMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(Br)cn2)[C@H]1n1cccn1 ZINC000449660694 566587225 /nfs/dbraw/zinc/58/72/25/566587225.db2.gz YHOMTGIQYBLGBI-BZUAXINKSA-N 0 1 379.302 3.328 20 0 GGADMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(Br)cn2)[C@@H]1n1cccn1 ZINC000449660695 566587415 /nfs/dbraw/zinc/58/74/15/566587415.db2.gz YHOMTGIQYBLGBI-OAGGEKHMSA-N 0 1 379.302 3.328 20 0 GGADMN CC1(C)CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCCO1 ZINC000604979779 566587669 /nfs/dbraw/zinc/58/76/69/566587669.db2.gz WRTRECFEKGHESB-UHFFFAOYSA-N 0 1 378.270 3.480 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000486423096 566587676 /nfs/dbraw/zinc/58/76/76/566587676.db2.gz IOQWPKIBVSJIGW-AWEZNQCLSA-N 0 1 392.297 3.115 20 0 GGADMN COCCOCCN1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000652061620 566587957 /nfs/dbraw/zinc/58/79/57/566587957.db2.gz JQXSWZHKFKCULV-UHFFFAOYSA-N 0 1 375.340 3.207 20 0 GGADMN CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCCN(CCOC)C1 ZINC000604977101 566587916 /nfs/dbraw/zinc/58/79/16/566587916.db2.gz YLMYINXGCGOSLK-WMZOPIPTSA-N 0 1 397.357 3.245 20 0 GGADMN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000539564670 566588538 /nfs/dbraw/zinc/58/85/38/566588538.db2.gz 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/nfs/dbraw/zinc/58/94/06/566589406.db2.gz BLRMGRFYUJHIDW-LBPRGKRZSA-N 0 1 399.354 3.417 20 0 GGADMN CC(C)N(CCN(C)C)S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000486451660 566590001 /nfs/dbraw/zinc/59/00/01/566590001.db2.gz XSRJWCDPLMSODT-UHFFFAOYSA-N 0 1 397.766 3.204 20 0 GGADMN CCc1csc(CC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000513235413 566590900 /nfs/dbraw/zinc/59/09/00/566590900.db2.gz NUVUQMRAAOELGZ-UHFFFAOYSA-N 0 1 392.282 3.434 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Cl)c1F)c1cccs1 ZINC000539604532 566591844 /nfs/dbraw/zinc/59/18/44/566591844.db2.gz UKLGTUKPOHMZID-KBPBESRZSA-N 0 1 385.892 3.176 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H](CO)c1cccc(Cl)c1F)c1cccs1 ZINC000539604534 566592286 /nfs/dbraw/zinc/59/22/86/566592286.db2.gz UKLGTUKPOHMZID-UONOGXRCSA-N 0 1 385.892 3.176 20 0 GGADMN C[C@@H]1CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C[C@H](C)N1C ZINC000513267186 566592488 /nfs/dbraw/zinc/59/24/88/566592488.db2.gz KZFJJNCVMLTIMG-OKILXGFUSA-N 0 1 377.941 3.481 20 0 GGADMN COc1ccccc1[C@@H]1C[C@H]1N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000579259299 566592729 /nfs/dbraw/zinc/59/27/29/566592729.db2.gz QOPVBIVIHCOUOT-UXLLHSPISA-N 0 1 375.266 3.130 20 0 GGADMN Nc1nc(N[C@H]2CSc3ccc(Br)cc32)cc(-n2cccn2)n1 ZINC000486485820 566593320 /nfs/dbraw/zinc/59/33/20/566593320.db2.gz IREQRJDELUZSJN-NSHDSACASA-N 0 1 389.282 3.096 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCN1C ZINC000486482961 566593429 /nfs/dbraw/zinc/59/34/29/566593429.db2.gz BUOXIESFKHCHBX-KRWDZBQOSA-N 0 1 393.329 3.412 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000424997731 566594822 /nfs/dbraw/zinc/59/48/22/566594822.db2.gz GIQWGFCKTYBYBQ-UHFFFAOYSA-N 0 1 389.359 3.012 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000486504715 566594876 /nfs/dbraw/zinc/59/48/76/566594876.db2.gz ZFMZIOBPVJKOIA-UHFFFAOYSA-N 0 1 377.340 3.403 20 0 GGADMN CN(C)C1CN(C(=O)Nc2nc(Cc3ccccc3Br)cs2)C1 ZINC000579288990 566595440 /nfs/dbraw/zinc/59/54/40/566595440.db2.gz WTMNCWCPCBRHTL-UHFFFAOYSA-N 0 1 395.326 3.274 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H](CO)c1cccc(Cl)c1F)c1ccsc1 ZINC000539669910 566595518 /nfs/dbraw/zinc/59/55/18/566595518.db2.gz AATCVXHCEVEEMT-GJZGRUSLSA-N 0 1 385.892 3.176 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H]2COC[C@H]2OCC)cc1OC ZINC000449718026 566595596 /nfs/dbraw/zinc/59/55/96/566595596.db2.gz OIUINZVOPJINIH-GDBMZVCRSA-N 0 1 388.302 3.140 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000486536511 566596509 /nfs/dbraw/zinc/59/65/09/566596509.db2.gz HXHYYVHZVKONQP-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN CSc1nc(=NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)[nH][nH]1 ZINC000539683691 566596714 /nfs/dbraw/zinc/59/67/14/566596714.db2.gz BRRJCUSUZKAXIU-UHFFFAOYSA-N 0 1 383.264 3.002 20 0 GGADMN COc1cccnc1CN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000449749467 566596753 /nfs/dbraw/zinc/59/67/53/566596753.db2.gz PQBPRBJKHBHLOW-GFCCVEGCSA-N 0 1 378.270 3.360 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000560094198 566597210 /nfs/dbraw/zinc/59/72/10/566597210.db2.gz KSWQDZURUOEVNW-QGZVFWFLSA-N 0 1 395.322 3.489 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000605180296 566597760 /nfs/dbraw/zinc/59/77/60/566597760.db2.gz ALYCZOUEAATAHF-LBPRGKRZSA-N 0 1 393.285 3.347 20 0 GGADMN OCC1([C@H](NCc2cnc(N3CCOCC3)s2)c2cccs2)CCC1 ZINC000449765779 566598735 /nfs/dbraw/zinc/59/87/35/566598735.db2.gz KMVKXHHWCBWWTH-MRXNPFEDSA-N 0 1 379.551 3.035 20 0 GGADMN C[C@H](COCC1CC1)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000652287203 566599557 /nfs/dbraw/zinc/59/95/57/566599557.db2.gz QRHIWHIXCYFUET-ABAIWWIYSA-N 0 1 388.327 3.072 20 0 GGADMN O=C(CCCC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000425057569 566599767 /nfs/dbraw/zinc/59/97/67/566599767.db2.gz AZRDYKGAHYHWOP-LBPRGKRZSA-N 0 1 381.263 3.481 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(I)cc3)C2)n1 ZINC000539763719 566599845 /nfs/dbraw/zinc/59/98/45/566599845.db2.gz XSSWUZKHEBIOGQ-ZDUSSCGKSA-N 0 1 382.249 3.097 20 0 GGADMN Cc1nnc([C@H]2CCCN(Cc3ccc(I)cc3)C2)[nH]1 ZINC000539763719 566599851 /nfs/dbraw/zinc/59/98/51/566599851.db2.gz XSSWUZKHEBIOGQ-ZDUSSCGKSA-N 0 1 382.249 3.097 20 0 GGADMN COc1cc(OC)c(NC(=O)c2ccc3cncn3c2)cc1Br ZINC000560115939 566599967 /nfs/dbraw/zinc/59/99/67/566599967.db2.gz FQETYIUDOMXNHF-UHFFFAOYSA-N 0 1 376.210 3.366 20 0 GGADMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)[C@@H]2C1 ZINC000486576801 566600823 /nfs/dbraw/zinc/60/08/23/566600823.db2.gz OGILLEHDFSQOAK-GXFFZTMASA-N 0 1 382.835 3.074 20 0 GGADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@H]2C1 ZINC000486573816 566600994 /nfs/dbraw/zinc/60/09/94/566600994.db2.gz HKRBOOCPXZLUSH-YGRLFVJLSA-N 0 1 382.835 3.074 20 0 GGADMN CC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)NC ZINC000449779268 566601045 /nfs/dbraw/zinc/60/10/45/566601045.db2.gz SYVQTIGSITYXGW-INIZCTEOSA-N 0 1 393.329 3.372 20 0 GGADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)[C@H]2C1 ZINC000486576802 566601039 /nfs/dbraw/zinc/60/10/39/566601039.db2.gz OGILLEHDFSQOAK-MFKMUULPSA-N 0 1 382.835 3.074 20 0 GGADMN Cc1c(Cl)c(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)nn1C ZINC000579341005 566601490 /nfs/dbraw/zinc/60/14/90/566601490.db2.gz QEUVPMWALJXLPB-UHFFFAOYSA-N 0 1 382.295 3.039 20 0 GGADMN CC[C@@H](CNS(=O)(=O)CCCC(F)(F)F)N1CCc2ccccc2C1 ZINC000539775520 566601440 /nfs/dbraw/zinc/60/14/40/566601440.db2.gz NZKWZELZHSIKEO-INIZCTEOSA-N 0 1 378.460 3.085 20 0 GGADMN Cc1ccc([C@@H](CNS(=O)(=O)CCCC(F)(F)F)N2CCCC2)cc1 ZINC000539778755 566601793 /nfs/dbraw/zinc/60/17/93/566601793.db2.gz KXNQIGOQRFXBPZ-MRXNPFEDSA-N 0 1 378.460 3.394 20 0 GGADMN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425066176 566602284 /nfs/dbraw/zinc/60/22/84/566602284.db2.gz NMGFHMZBAUHASD-QMMMGPOBSA-N 0 1 375.643 3.160 20 0 GGADMN O=C(c1[nH]nc2ccccc21)N1CCN(c2cccc(Br)c2)CC1 ZINC000560146218 566602516 /nfs/dbraw/zinc/60/25/16/566602516.db2.gz RLVFMIJESXKYNR-UHFFFAOYSA-N 0 1 385.265 3.288 20 0 GGADMN Cc1cnccc1CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000579365299 566603059 /nfs/dbraw/zinc/60/30/59/566603059.db2.gz VYQMUIYDACJUED-ZWKOTPCHSA-N 0 1 389.293 3.495 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000486612046 566603460 /nfs/dbraw/zinc/60/34/60/566603460.db2.gz OBABENHLLDYSAD-ZJUUUORDSA-N 0 1 376.404 3.377 20 0 GGADMN COC(=O)CCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000486605619 566603870 /nfs/dbraw/zinc/60/38/70/566603870.db2.gz MOTIZFOJPPULSO-UHFFFAOYSA-N 0 1 394.221 3.349 20 0 GGADMN Cn1cc(C[C@@H]2CCN(Cc3cc(Br)c4c(c3)OCCO4)C2)cn1 ZINC000539825926 566604653 /nfs/dbraw/zinc/60/46/53/566604653.db2.gz XHGBTNJPIVEIMP-ZDUSSCGKSA-N 0 1 392.297 3.018 20 0 GGADMN COc1ccc(CN[C@H](CO)Cc2ccc(C)cc2)c(Br)c1O ZINC000466898467 566605890 /nfs/dbraw/zinc/60/58/90/566605890.db2.gz XGCRNIZDLXYKSR-HNNXBMFYSA-N 0 1 380.282 3.165 20 0 GGADMN COc1ccc(CN[C@@H](CO)Cc2ccc(C)cc2)c(Br)c1O ZINC000466898468 566606009 /nfs/dbraw/zinc/60/60/09/566606009.db2.gz XGCRNIZDLXYKSR-OAHLLOKOSA-N 0 1 380.282 3.165 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccc(C)cc2)c(OC)c1 ZINC000466898792 566606100 /nfs/dbraw/zinc/60/61/00/566606100.db2.gz BNRJCLIMQRPYAW-OAHLLOKOSA-N 0 1 394.309 3.468 20 0 GGADMN O=C(c1cccc(Br)c1O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000539842156 566606285 /nfs/dbraw/zinc/60/62/85/566606285.db2.gz YYWWTEXUPQFPEG-AWEZNQCLSA-N 0 1 391.265 3.371 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000560182547 566606628 /nfs/dbraw/zinc/60/66/28/566606628.db2.gz GTOFRKVNPUVTEX-HUUCEWRRSA-N 0 1 387.343 3.112 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC000674755852 566606705 /nfs/dbraw/zinc/60/67/05/566606705.db2.gz HHSUJMLRPCJPAT-UHFFFAOYSA-N 0 1 377.286 3.428 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)Cc2cc(Cl)ccc2OC)n[nH]1 ZINC000486637208 566606940 /nfs/dbraw/zinc/60/69/40/566606940.db2.gz OSPHEHJMOLUVMZ-GHMZBOCLSA-N 0 1 386.905 3.161 20 0 GGADMN Cc1n[nH]c(CCNC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC000539843243 566606912 /nfs/dbraw/zinc/60/69/12/566606912.db2.gz UHFAIDXKHYINEV-HNNXBMFYSA-N 0 1 393.329 3.439 20 0 GGADMN Cc1cccc(C[C@H](CO)NCc2cc3c(cc2Br)OCO3)c1 ZINC000466904518 566607378 /nfs/dbraw/zinc/60/73/78/566607378.db2.gz KOWYRWJADCPXSO-OAHLLOKOSA-N 0 1 378.266 3.179 20 0 GGADMN O=C1c2ccccc2CCN1CCNCc1ccc(Br)cc1F ZINC000466916355 566607517 /nfs/dbraw/zinc/60/75/17/566607517.db2.gz HACCCBAZNZNCML-UHFFFAOYSA-N 0 1 377.257 3.376 20 0 GGADMN CC(C)Oc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)ccc1Br ZINC000652390801 566608137 /nfs/dbraw/zinc/60/81/37/566608137.db2.gz LJBDCSAZDVAYQN-UHFFFAOYSA-N 0 1 381.274 3.408 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000486652375 566608267 /nfs/dbraw/zinc/60/82/67/566608267.db2.gz PPVFVHHUEOLDGU-VHSXEESVSA-N 0 1 376.404 3.377 20 0 GGADMN Brc1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc2c1OCCCO2 ZINC000539849036 566608890 /nfs/dbraw/zinc/60/88/90/566608890.db2.gz IHGWQNCJRJPFBU-LSDHHAIUSA-N 0 1 382.298 3.469 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)n[nH]1 ZINC000486654961 566609735 /nfs/dbraw/zinc/60/97/35/566609735.db2.gz VLXCTCKXXNRVHM-ZJUUUORDSA-N 0 1 387.303 3.120 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000486652778 566609812 /nfs/dbraw/zinc/60/98/12/566609812.db2.gz PINIZMGAMGWMJK-NXEZZACHSA-N 0 1 376.404 3.377 20 0 GGADMN O=C(CCCc1cc(Cl)sc1Cl)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000674798332 566610470 /nfs/dbraw/zinc/61/04/70/566610470.db2.gz XQFRARWGKQWQKY-KBPBESRZSA-N 0 1 391.364 3.435 20 0 GGADMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)cc(C)c3O)ccc21 ZINC000466958409 566610592 /nfs/dbraw/zinc/61/05/92/566610592.db2.gz VHKVMJCATILSTN-UHFFFAOYSA-N 0 1 382.825 3.083 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)CCc2ccc(Cl)cc2)cc1F ZINC000425173902 566611216 /nfs/dbraw/zinc/61/12/16/566611216.db2.gz YMUGOSNSBZUAOH-UHFFFAOYSA-N 0 1 384.904 3.203 20 0 GGADMN C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652474211 566611876 /nfs/dbraw/zinc/61/18/76/566611876.db2.gz WTFYSMQQCBHULB-OAHLLOKOSA-N 0 1 392.249 3.306 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000652440175 566611936 /nfs/dbraw/zinc/61/19/36/566611936.db2.gz ZWSLDKCSIVWFBO-JKSUJKDBSA-N 0 1 376.503 3.215 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)c1 ZINC000652440175 566611941 /nfs/dbraw/zinc/61/19/41/566611941.db2.gz ZWSLDKCSIVWFBO-JKSUJKDBSA-N 0 1 376.503 3.215 20 0 GGADMN C[N@@H+](CCOc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652474248 566612147 /nfs/dbraw/zinc/61/21/47/566612147.db2.gz ZGJUJLRXDYWVMQ-QGZVFWFLSA-N 0 1 378.266 3.456 20 0 GGADMN O=C(Nc1cccc2[nH]cnc21)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000605546022 566612194 /nfs/dbraw/zinc/61/21/94/566612194.db2.gz UJSGVBWIVOXAAR-UHFFFAOYSA-N 0 1 383.205 3.419 20 0 GGADMN C[N@@H+](CCOc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000652474247 566612900 /nfs/dbraw/zinc/61/29/00/566612900.db2.gz ZGJUJLRXDYWVMQ-KRWDZBQOSA-N 0 1 378.266 3.456 20 0 GGADMN CCCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC)CC1 ZINC000579499638 566613641 /nfs/dbraw/zinc/61/36/41/566613641.db2.gz YMQVKLDSCKQUKC-UHFFFAOYSA-N 0 1 378.318 3.260 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496446 566613942 /nfs/dbraw/zinc/61/39/42/566613942.db2.gz VWWYLGAGHUGOHJ-TZMCWYRMSA-N 0 1 376.280 3.310 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2Br)CCN1C ZINC000425192959 566614028 /nfs/dbraw/zinc/61/40/28/566614028.db2.gz FNSGLOITGPZGMT-TZMCWYRMSA-N 0 1 397.338 3.363 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(C)(C)CO ZINC000605576292 566614418 /nfs/dbraw/zinc/61/44/18/566614418.db2.gz XKKFHLUGBQHWFA-UHFFFAOYSA-N 0 1 383.208 3.109 20 0 GGADMN Cc1ccnc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000652506386 566614426 /nfs/dbraw/zinc/61/44/26/566614426.db2.gz JHIKHQUMSRGFAC-DLBZAZTESA-N 0 1 375.266 3.453 20 0 GGADMN Cn1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc2ccccc2c1=O ZINC000513632644 566614496 /nfs/dbraw/zinc/61/44/96/566614496.db2.gz DZDNMIMVGDCTGA-UHFFFAOYSA-N 0 1 397.232 3.430 20 0 GGADMN O=C([O-])C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000652482635 566614635 /nfs/dbraw/zinc/61/46/35/566614635.db2.gz MORDZRJBICNLRA-AWEZNQCLSA-N 0 1 376.280 3.452 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCCO3)CC[C@H]1C(=O)[O-] ZINC000652497440 566614977 /nfs/dbraw/zinc/61/49/77/566614977.db2.gz VVFCZMBACZEBNP-DGCLKSJQSA-N 0 1 384.270 3.153 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCCc3ccccc3Br)C2)nn1 ZINC000652502824 566615069 /nfs/dbraw/zinc/61/50/69/566615069.db2.gz CKQLHFWVTLMIAS-CQSZACIVSA-N 0 1 393.285 3.009 20 0 GGADMN C[C@@H]1C[N@H+](Cc2nc(-c3cc(Br)cs3)no2)CC[C@H]1C(=O)[O-] ZINC000652496797 566615089 /nfs/dbraw/zinc/61/50/89/566615089.db2.gz DTWWETMQSQIRSO-PSASIEDQSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)CC[C@H]1C(=O)[O-] ZINC000652496797 566615093 /nfs/dbraw/zinc/61/50/93/566615093.db2.gz DTWWETMQSQIRSO-PSASIEDQSA-N 0 1 386.271 3.103 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000560298469 566615302 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O=C([O-])[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C1CC1 ZINC000652513717 566616714 /nfs/dbraw/zinc/61/67/14/566616714.db2.gz IEGJCPSWPJCPGA-UONOGXRCSA-N 0 1 396.281 3.153 20 0 GGADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)[C@@H]2C1 ZINC000425216973 566617109 /nfs/dbraw/zinc/61/71/09/566617109.db2.gz SXFKPYRJPSRTSR-GXFFZTMASA-N 0 1 382.835 3.074 20 0 GGADMN COc1cc2nccc(N3CCC[C@H](CC(N)=O)C3)c2cc1Br ZINC000425223168 566618528 /nfs/dbraw/zinc/61/85/28/566618528.db2.gz BMKGUBVLWZLYQY-LLVKDONJSA-N 0 1 378.270 3.098 20 0 GGADMN Cc1ccsc1[C@@H](CO)NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000539980647 566618716 /nfs/dbraw/zinc/61/87/16/566618716.db2.gz QDDSYLGRHUSENG-QGZVFWFLSA-N 0 1 376.547 3.069 20 0 GGADMN COc1cc2nccc(N3CCC[C@@]4(CNC(=O)C4)C3)c2cc1Br ZINC000425224583 566618873 /nfs/dbraw/zinc/61/88/73/566618873.db2.gz DYVFANVUQFCOJB-GOSISDBHSA-N 0 1 390.281 3.112 20 0 GGADMN COc1cc2nccc(N3CCC[C@@H](CC(N)=O)C3)c2cc1Br ZINC000425223169 566619094 /nfs/dbraw/zinc/61/90/94/566619094.db2.gz BMKGUBVLWZLYQY-NSHDSACASA-N 0 1 378.270 3.098 20 0 GGADMN COc1cc2nccc(N3CCC(N(C)C(C)=O)CC3)c2cc1Br ZINC000425218958 566619134 /nfs/dbraw/zinc/61/91/34/566619134.db2.gz ZSHKWZLCEASPPI-UHFFFAOYSA-N 0 1 392.297 3.453 20 0 GGADMN COc1cc2nccc(NCC3CCN(C(C)=O)CC3)c2cc1Br ZINC000425219010 566619188 /nfs/dbraw/zinc/61/91/88/566619188.db2.gz ARUYECMHWWHIAR-UHFFFAOYSA-N 0 1 392.297 3.098 20 0 GGADMN COc1cc2nccc(NCCC(=O)NC(C)(C)C)c2cc1Br ZINC000425233418 566620221 /nfs/dbraw/zinc/62/02/21/566620221.db2.gz XECXZVRARIWALA-UHFFFAOYSA-N 0 1 380.286 3.145 20 0 GGADMN CNC(=O)CC1CCN(c2ccnc3cc(OC)c(Br)cc32)CC1 ZINC000425225846 566620313 /nfs/dbraw/zinc/62/03/13/566620313.db2.gz GNLQBXZANRGJQS-UHFFFAOYSA-N 0 1 392.297 3.358 20 0 GGADMN Cc1cccc2nc(CCC(=O)N=c3cc4ccc(Br)cn4[nH]3)[nH]c21 ZINC000513738445 566620631 /nfs/dbraw/zinc/62/06/31/566620631.db2.gz UNSGQHMUTBMQRN-UHFFFAOYSA-N 0 1 398.264 3.275 20 0 GGADMN COCCN1CC[C@H](NC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000605883181 566620881 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COCCO[C@@H]1CCN(c2ccnc3cc(OC)c(Br)cc32)C1 ZINC000425253473 566623113 /nfs/dbraw/zinc/62/31/13/566623113.db2.gz JPJNPOAEDOJTDX-GFCCVEGCSA-N 0 1 381.270 3.248 20 0 GGADMN COc1cc2nccc(N3CCC[C@H]3c3nncn3C)c2cc1Br ZINC000425244479 566623233 /nfs/dbraw/zinc/62/32/33/566623233.db2.gz HJRHNOCYICWFQM-HNNXBMFYSA-N 0 1 388.269 3.476 20 0 GGADMN CN(CCN1CCOCC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000513758890 566623180 /nfs/dbraw/zinc/62/31/80/566623180.db2.gz CUKHEGIZLAAYFA-UHFFFAOYSA-N 0 1 381.236 3.232 20 0 GGADMN CSc1ccncc1NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000675074734 566623293 /nfs/dbraw/zinc/62/32/93/566623293.db2.gz PFHVDKSHJQJWTM-UHFFFAOYSA-N 0 1 378.454 3.238 20 0 GGADMN COc1cc2nccc(N3CCC[C@H](S(C)(=O)=O)C3)c2cc1Br ZINC000425248128 566623328 /nfs/dbraw/zinc/62/33/28/566623328.db2.gz ZURLZXBYSXUJJY-NSHDSACASA-N 0 1 399.310 3.019 20 0 GGADMN COc1cc2nccc(N3CCC[C@@H](S(C)(=O)=O)C3)c2cc1Br ZINC000425248127 566623363 /nfs/dbraw/zinc/62/33/63/566623363.db2.gz ZURLZXBYSXUJJY-LLVKDONJSA-N 0 1 399.310 3.019 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)sc1Br ZINC000540039421 566623910 /nfs/dbraw/zinc/62/39/10/566623910.db2.gz PMZNABHMSVTLDF-NWDGAFQWSA-N 0 1 387.324 3.124 20 0 GGADMN COC[C@@H]1CN(c2ccnc3cc(OC)c(Br)cc32)C[C@H](C)O1 ZINC000425259683 566623916 /nfs/dbraw/zinc/62/39/16/566623916.db2.gz VMDXUHGEUNNHSY-RYUDHWBXSA-N 0 1 381.270 3.246 20 0 GGADMN COc1cc2nccc(N3CCO[C@]4(CCO[C@H]4C)C3)c2cc1Br ZINC000425257200 566624086 /nfs/dbraw/zinc/62/40/86/566624086.db2.gz IERVJFQJIDBBHG-KPZWWZAWSA-N 0 1 393.281 3.390 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000513794404 566624246 /nfs/dbraw/zinc/62/42/46/566624246.db2.gz PGYAEGQJFWAJLP-VIFPVBQESA-N 0 1 377.340 3.125 20 0 GGADMN CCN(CCCN1CCCC1)c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000425257305 566624106 /nfs/dbraw/zinc/62/41/06/566624106.db2.gz QKXBJQBLQIOLPO-UHFFFAOYSA-N 0 1 378.460 3.421 20 0 GGADMN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000675127677 566624802 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COc1ccc(Br)c(CN[C@@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000675782269 566664353 /nfs/dbraw/zinc/66/43/53/566664353.db2.gz PSIAIWZBYARFFI-LBPRGKRZSA-N 0 1 388.269 3.284 20 0 GGADMN C[C@H](NCc1ccc(F)cc1Br)c1cccc(-n2cnnn2)c1 ZINC000675765314 566664393 /nfs/dbraw/zinc/66/43/93/566664393.db2.gz BTYDVISHLQURAI-NSHDSACASA-N 0 1 376.233 3.415 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000514730678 566665331 /nfs/dbraw/zinc/66/53/31/566665331.db2.gz SXRBXBGYYFIKCX-KRWDZBQOSA-N 0 1 394.240 3.479 20 0 GGADMN Cc1nnc([C@@H](C)NC(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000514715368 566665663 /nfs/dbraw/zinc/66/56/63/566665663.db2.gz GBLFXTHKUGKSFF-SSDOTTSWSA-N 0 1 395.286 3.046 20 0 GGADMN O=C(NCCCc1cccc(Br)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000675819328 566666071 /nfs/dbraw/zinc/66/60/71/566666071.db2.gz XUDGJQGMCHYRTQ-OAHLLOKOSA-N 0 1 377.286 3.482 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000607280505 566666301 /nfs/dbraw/zinc/66/63/01/566666301.db2.gz 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COCCCNC(=O)[C@H](C)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425921612 566682343 /nfs/dbraw/zinc/68/23/43/566682343.db2.gz DDMYSEFRRCCYFL-HNNXBMFYSA-N 0 1 397.357 3.478 20 0 GGADMN Cc1nnc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000540955194 566682874 /nfs/dbraw/zinc/68/28/74/566682874.db2.gz AYGMOPOGZTVKSV-OAHLLOKOSA-N 0 1 379.917 3.136 20 0 GGADMN Clc1cnc(NCCCCN2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000561176042 566683378 /nfs/dbraw/zinc/68/33/78/566683378.db2.gz GQRDCPYSCMDKSM-UHFFFAOYSA-N 0 1 381.311 3.193 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629771991 566683905 /nfs/dbraw/zinc/68/39/05/566683905.db2.gz KQGBYMNQUWOBMO-SJKOYZFVSA-N 0 1 392.297 3.486 20 0 GGADMN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000580332285 566684075 /nfs/dbraw/zinc/68/40/75/566684075.db2.gz NFKGXNILMUPAKR-HIFRSBDPSA-N 0 1 398.315 3.320 20 0 GGADMN CCN(CCNC(=O)NCc1ccc(OC)c(Cl)c1)CCC(F)(F)F ZINC000425979076 566684096 /nfs/dbraw/zinc/68/40/96/566684096.db2.gz RLYJFWWGSMYHLK-UHFFFAOYSA-N 0 1 381.826 3.422 20 0 GGADMN CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000629772936 566684149 /nfs/dbraw/zinc/68/41/49/566684149.db2.gz ZPUWINYJHKURNT-YPMHNXCESA-N 0 1 386.286 3.399 20 0 GGADMN CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000629772934 566684166 /nfs/dbraw/zinc/68/41/66/566684166.db2.gz ZPUWINYJHKURNT-DGCLKSJQSA-N 0 1 386.286 3.399 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1C(=O)[O-] ZINC000629772649 566684454 /nfs/dbraw/zinc/68/44/54/566684454.db2.gz URXJZZYLAIQION-BXUZGUMPSA-N 0 1 378.270 3.382 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1c(F)ccc(Br)c1F)C1CCOCC1 ZINC000580326658 566684827 /nfs/dbraw/zinc/68/48/27/566684827.db2.gz WOZSYGAXNCNSCC-UHFFFAOYSA-N 0 1 378.213 3.183 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000607903907 566685850 /nfs/dbraw/zinc/68/58/50/566685850.db2.gz VYHDWESYKCJVBV-ZJPYXAASSA-N 0 1 383.319 3.155 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cn(CC(C)C)cn2)c(Br)c1 ZINC000426009221 566687104 /nfs/dbraw/zinc/68/71/04/566687104.db2.gz VZNZIGFQAODJTN-UHFFFAOYSA-N 0 1 388.287 3.111 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000607934688 566687629 /nfs/dbraw/zinc/68/76/29/566687629.db2.gz CWBSRHYIJLJZMI-YJBOKZPZSA-N 0 1 394.357 3.139 20 0 GGADMN CCN(CCNC(=O)NCc1nc(C(F)(F)F)cs1)CCC(F)(F)F ZINC000426005433 566687703 /nfs/dbraw/zinc/68/77/03/566687703.db2.gz XQRDKTZQCGRLOI-UHFFFAOYSA-N 0 1 392.369 3.235 20 0 GGADMN COc1cc(Cl)c(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1C ZINC000426040499 566689030 /nfs/dbraw/zinc/68/90/30/566689030.db2.gz WCQRBYGOLPLCDG-UHFFFAOYSA-N 0 1 386.832 3.420 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1C ZINC000608005038 566689288 /nfs/dbraw/zinc/68/92/88/566689288.db2.gz BUQIENQPANYQIF-UHFFFAOYSA-N 0 1 385.869 3.488 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)c3c[nH]cc3-c3ccc(Cl)s3)CCO2)n[nH]1 ZINC000607962164 566689432 /nfs/dbraw/zinc/68/94/32/566689432.db2.gz 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O=C(COc1cc(Cl)cc(Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000608120121 566704233 /nfs/dbraw/zinc/70/42/33/566704233.db2.gz ULRXGOKLLRUAEB-MRXNPFEDSA-N 0 1 387.307 3.086 20 0 GGADMN CCN(CC(=O)N1CCCCCC1)C(=O)c1cccc(Br)c1O ZINC000561427180 566704731 /nfs/dbraw/zinc/70/47/31/566704731.db2.gz CVOFFXUJIPXBHN-UHFFFAOYSA-N 0 1 383.286 3.019 20 0 GGADMN Cc1ccc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1Br ZINC000653932782 566705079 /nfs/dbraw/zinc/70/50/79/566705079.db2.gz ZPZSSTOUYHZHCY-GFCCVEGCSA-N 0 1 380.246 3.049 20 0 GGADMN CN1CC[C@@H]2CN(c3cnn(-c4ccc(Cl)cc4Cl)c(=O)c3Cl)C[C@@H]21 ZINC000450793396 566707436 /nfs/dbraw/zinc/70/74/36/566707436.db2.gz OUIXZDSMKVMFOA-BMIGLBTASA-N 0 1 399.709 3.333 20 0 GGADMN O=C(CN1CCc2cn[nH]c2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000676792716 566708069 /nfs/dbraw/zinc/70/80/69/566708069.db2.gz RGPIEGDMWBVLGV-KRWDZBQOSA-N 0 1 379.291 3.438 20 0 GGADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000541247485 566708214 /nfs/dbraw/zinc/70/82/14/566708214.db2.gz VZLPETZHSPRTCJ-LLVKDONJSA-N 0 1 395.750 3.113 20 0 GGADMN Cn1cc(-c2cncc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)c2)cn1 ZINC000608220675 566708466 /nfs/dbraw/zinc/70/84/66/566708466.db2.gz JOAATXBNOJZGDN-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN COc1ccc(COCC(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000608220229 566708676 /nfs/dbraw/zinc/70/86/76/566708676.db2.gz YSIBGKMFRUQUJX-UHFFFAOYSA-N 0 1 390.237 3.489 20 0 GGADMN Cc1cccc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1Br ZINC000654039825 566708688 /nfs/dbraw/zinc/70/86/88/566708688.db2.gz NUJPMCBKZXRJIY-LLVKDONJSA-N 0 1 380.246 3.049 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000608220236 566708791 /nfs/dbraw/zinc/70/87/91/566708791.db2.gz ZUGXRBRUQAIRSN-AWEZNQCLSA-N 0 1 376.185 3.407 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc(C)c1Br ZINC000654049246 566709987 /nfs/dbraw/zinc/70/99/87/566709987.db2.gz BVBWZXZNSBSDCM-GFCCVEGCSA-N 0 1 394.273 3.357 20 0 GGADMN O=S(=O)(NCCOc1ccc(F)c(F)c1)c1c(Cl)ccc(F)c1F ZINC000561505231 566710198 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COC(=O)c1csc(S(=O)(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000541309367 566714349 /nfs/dbraw/zinc/71/43/49/566714349.db2.gz ACJWDKJAIBJCOK-GFCCVEGCSA-N 0 1 385.429 3.324 20 0 GGADMN C[C@@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc(Br)s1 ZINC000608356377 566715318 /nfs/dbraw/zinc/71/53/18/566715318.db2.gz NZNNJKZHLUXIGT-NOZJJQNGSA-N 0 1 392.282 3.033 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1CC[C@](O)(C2CC2)C1 ZINC000426506106 566715829 /nfs/dbraw/zinc/71/58/29/566715829.db2.gz BZYHUULZDLHCOL-GOSISDBHSA-N 0 1 384.314 3.211 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450896863 566716612 /nfs/dbraw/zinc/71/66/12/566716612.db2.gz OUSGJWHJTQSRNA-TVQRCGJNSA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450896863 566716615 /nfs/dbraw/zinc/71/66/15/566716615.db2.gz OUSGJWHJTQSRNA-TVQRCGJNSA-N 0 1 386.235 3.176 20 0 GGADMN C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 ZINC000608380681 566717358 /nfs/dbraw/zinc/71/73/58/566717358.db2.gz UWWQAZLQNUGJPL-BFQNTYOBSA-N 0 1 377.286 3.027 20 0 GGADMN O=S(=O)(NCc1ccncc1OCC(F)F)c1c(Cl)ccc(F)c1F ZINC000561545144 566718085 /nfs/dbraw/zinc/71/80/85/566718085.db2.gz NEUTZMXOUDCSDR-UHFFFAOYSA-N 0 1 398.765 3.136 20 0 GGADMN O=C(NC1(c2nnc[nH]2)CCC1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000561547528 566718135 /nfs/dbraw/zinc/71/81/35/566718135.db2.gz SECQZAHUIVXKLG-UHFFFAOYSA-N 0 1 377.235 3.106 20 0 GGADMN Cc1cc(Br)cnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000580731724 566718181 /nfs/dbraw/zinc/71/81/81/566718181.db2.gz PHXFWPWPSQVYEV-UHFFFAOYSA-N 0 1 396.251 3.244 20 0 GGADMN O=C1CCC(CN2CCN(Cc3cc(Br)ccc3F)CC2)CC1 ZINC000450904254 566718867 /nfs/dbraw/zinc/71/88/67/566718867.db2.gz NEULCIUYSMBCHT-UHFFFAOYSA-N 0 1 383.305 3.465 20 0 GGADMN CCn1c(SCc2n[nH]c(C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000488297486 566719287 /nfs/dbraw/zinc/71/92/87/566719287.db2.gz OHVVWJTVWZAKKV-VIFPVBQESA-N 0 1 375.523 3.322 20 0 GGADMN CCN(CCc1cccs1)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000488289905 566719633 /nfs/dbraw/zinc/71/96/33/566719633.db2.gz BTUYNXBPOCBRBC-HNNXBMFYSA-N 0 1 378.519 3.266 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000608499890 566720078 /nfs/dbraw/zinc/72/00/78/566720078.db2.gz IKPCHKFXAWACPE-OAHLLOKOSA-N 0 1 390.325 3.027 20 0 GGADMN O=S(=O)(NC1CC(C(F)(F)F)C1)c1cc(Br)c(F)cc1F ZINC000561559209 566720365 /nfs/dbraw/zinc/72/03/65/566720365.db2.gz HAHWAMJILPFIBO-UHFFFAOYSA-N 0 1 394.159 3.347 20 0 GGADMN NC(=O)Nc1cccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000426654896 566721571 /nfs/dbraw/zinc/72/15/71/566721571.db2.gz OWTIZYPWXOMPNE-UHFFFAOYSA-N 0 1 375.841 3.212 20 0 GGADMN CCCOc1ccc(Br)cc1CNC[C@H]1CCCCS1(=O)=O ZINC000541380952 566721647 /nfs/dbraw/zinc/72/16/47/566721647.db2.gz SZXFHVBAAZUYQV-OAHLLOKOSA-N 0 1 390.343 3.295 20 0 GGADMN Cc1nc(C[NH2+]Cc2cc(Br)cc3c2OCC3)ccc1C(=O)[O-] ZINC000426651056 566722000 /nfs/dbraw/zinc/72/20/00/566722000.db2.gz JKLBNGDGAIHXFU-UHFFFAOYSA-N 0 1 377.238 3.075 20 0 GGADMN C[C@@H]1C[C@@H](N=c2[n-]nc(-c3cc(Br)ccc3F)s2)CC[N@H+]1C ZINC000468721537 566722932 /nfs/dbraw/zinc/72/29/32/566722932.db2.gz CZFKFUAYDZFQOV-KOLCDFICSA-N 0 1 385.306 3.423 20 0 GGADMN Cn1cnc2cc(C(=O)Nc3nc(-c4ccccc4Br)n[nH]3)ccc21 ZINC000677051217 566723023 /nfs/dbraw/zinc/72/30/23/566723023.db2.gz TZADBXVNXJSZSU-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000468723200 566723108 /nfs/dbraw/zinc/72/31/08/566723108.db2.gz HJLBUXTXVBXWOA-QWRGUYRKSA-N 0 1 378.274 3.046 20 0 GGADMN C[C@H]1C[C@H](N=c2[n-]nc(-c3cc(Br)ccc3F)s2)CC[N@H+]1C ZINC000468721536 566723164 /nfs/dbraw/zinc/72/31/64/566723164.db2.gz CZFKFUAYDZFQOV-GXSJLCMTSA-N 0 1 385.306 3.423 20 0 GGADMN Cc1cccnc1C(C)(C)CN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000515629411 566723217 /nfs/dbraw/zinc/72/32/17/566723217.db2.gz WGHVCULTLUCOPU-OAHLLOKOSA-N 0 1 376.298 3.246 20 0 GGADMN O=C([O-])C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccsc1 ZINC000426685589 566723666 /nfs/dbraw/zinc/72/36/66/566723666.db2.gz IXOCNMDZWBLTDP-CQSZACIVSA-N 0 1 380.832 3.427 20 0 GGADMN O=C([O-])C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccsc1 ZINC000426696149 566724312 /nfs/dbraw/zinc/72/43/12/566724312.db2.gz QOVKKAQTVUNTPN-HNNXBMFYSA-N 0 1 380.832 3.427 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(Cc1nc3ccc(Br)cc3o1)CC2 ZINC000580807961 566725169 /nfs/dbraw/zinc/72/51/69/566725169.db2.gz OUIZSOIKNMPCSI-LBPRGKRZSA-N 0 1 379.254 3.365 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3sccc3F)cc2)C1 ZINC000450963102 566725623 /nfs/dbraw/zinc/72/56/23/566725623.db2.gz BAANFKPWZWYUOH-ZDUSSCGKSA-N 0 1 384.498 3.409 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000630397401 566725933 /nfs/dbraw/zinc/72/59/33/566725933.db2.gz QARGUNAEEBIWAQ-INIZCTEOSA-N 0 1 385.295 3.380 20 0 GGADMN COCCSCCCN1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000488442710 566726878 /nfs/dbraw/zinc/72/68/78/566726878.db2.gz FNEDBNZMMLXDSS-INIZCTEOSA-N 0 1 384.973 3.185 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(Br)c(C)n1)c1ccccc1 ZINC000450970825 566727190 /nfs/dbraw/zinc/72/71/90/566727190.db2.gz NUYXXQLQLPHLRZ-CQSZACIVSA-N 0 1 385.283 3.282 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c(C)n1)c1ccccc1 ZINC000450970820 566727238 /nfs/dbraw/zinc/72/72/38/566727238.db2.gz NUYXXQLQLPHLRZ-AWEZNQCLSA-N 0 1 385.283 3.282 20 0 GGADMN Cn1cc(CNCc2ccc(S(C)(=O)=O)s2)c(-c2ccccc2Cl)n1 ZINC000468758450 566727243 /nfs/dbraw/zinc/72/72/43/566727243.db2.gz AMLKGPRJFGGERV-UHFFFAOYSA-N 0 1 395.937 3.495 20 0 GGADMN CCOc1cccc(C[NH2+][C@H](C(=O)[O-])c2cc(Br)ccc2OC)n1 ZINC000426744768 566727612 /nfs/dbraw/zinc/72/76/12/566727612.db2.gz RWYZOHBWWPQJNT-INIZCTEOSA-N 0 1 395.253 3.167 20 0 GGADMN CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000561661811 566727674 /nfs/dbraw/zinc/72/76/74/566727674.db2.gz BEHVSIPXDLKFPG-LLVKDONJSA-N 0 1 386.832 3.268 20 0 GGADMN C[C@@](NCCOc1ccc(Br)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000426772945 566728358 /nfs/dbraw/zinc/72/83/58/566728358.db2.gz MNUUTERRJHASDQ-KRWDZBQOSA-N 0 1 397.700 3.472 20 0 GGADMN C[C@](NCCOc1ccc(Br)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000426772948 566728367 /nfs/dbraw/zinc/72/83/67/566728367.db2.gz MNUUTERRJHASDQ-QGZVFWFLSA-N 0 1 397.700 3.472 20 0 GGADMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000515714675 566728414 /nfs/dbraw/zinc/72/84/14/566728414.db2.gz OPLANEITDURUQC-UHFFFAOYSA-N 0 1 378.841 3.071 20 0 GGADMN CCc1ccccc1S(=O)(=O)Nc1cccnc1SCCC(=O)OC ZINC000488458609 566728499 /nfs/dbraw/zinc/72/84/99/566728499.db2.gz NKWAIWTYTMRHRN-UHFFFAOYSA-N 0 1 380.491 3.100 20 0 GGADMN CCN1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@H]1C ZINC000677177436 566728846 /nfs/dbraw/zinc/72/88/46/566728846.db2.gz NNNBOWPDGIASTA-CQSZACIVSA-N 0 1 375.563 3.494 20 0 GGADMN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000580852420 566729187 /nfs/dbraw/zinc/72/91/87/566729187.db2.gz RICIITBRZBEEHA-UHFFFAOYSA-N 0 1 392.250 3.175 20 0 GGADMN COc1cccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)c1 ZINC000561692401 566729097 /nfs/dbraw/zinc/72/90/97/566729097.db2.gz FJGUAENYONXSGE-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN CCN1CCN(C(=O)c2cc(C)nc3cc(Br)ccc32)C[C@H]1C ZINC000677181621 566729848 /nfs/dbraw/zinc/72/98/48/566729848.db2.gz BGFFXXKBQFOGEL-CYBMUJFWSA-N 0 1 376.298 3.472 20 0 GGADMN CCN1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)C[C@@H]1C ZINC000677177802 566729914 /nfs/dbraw/zinc/72/99/14/566729914.db2.gz WJCDMSQIMSSDCK-DOTOQJQBSA-N 0 1 397.357 3.197 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)CC2CC(F)(F)C2)c2cccs2)CC1 ZINC000450989727 566730425 /nfs/dbraw/zinc/73/04/25/566730425.db2.gz QXPDEIOGFUBDDY-OAHLLOKOSA-N 0 1 392.537 3.486 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000515737121 566731296 /nfs/dbraw/zinc/73/12/96/566731296.db2.gz JOIMYYQGPHJTRY-JSGCOSHPSA-N 0 1 389.359 3.156 20 0 GGADMN O[C@H](CCc1ccccc1)CNCc1cc2c(cc1Br)OCO2 ZINC000541535742 566732000 /nfs/dbraw/zinc/73/20/00/566732000.db2.gz RKKZIONWSSXDLT-OAHLLOKOSA-N 0 1 378.266 3.261 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1csc(NC2CC2)n1 ZINC000426839908 566732492 /nfs/dbraw/zinc/73/24/92/566732492.db2.gz HUSVCXCQBUJARS-UHFFFAOYSA-N 0 1 378.255 3.030 20 0 GGADMN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ncc(Br)cc2F)cc1 ZINC000630453460 566732557 /nfs/dbraw/zinc/73/25/57/566732557.db2.gz OYCWVOMCZJKUON-CQSZACIVSA-N 0 1 383.217 3.297 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000515758889 566733029 /nfs/dbraw/zinc/73/30/29/566733029.db2.gz UIUOMYQXQDXNSQ-STQMWFEESA-N 0 1 378.460 3.140 20 0 GGADMN Cc1cc(N2CCN([C@H]3CCOC3)CC2)c2cc(Br)cc(F)c2n1 ZINC000677237849 566732880 /nfs/dbraw/zinc/73/28/80/566732880.db2.gz LUBOZFWMVJPATD-AWEZNQCLSA-N 0 1 394.288 3.356 20 0 GGADMN COCC[C@@]1(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCOC1 ZINC000515765860 566733091 /nfs/dbraw/zinc/73/30/91/566733091.db2.gz KENBNNHHQQJLOV-OAHLLOKOSA-N 0 1 381.687 3.371 20 0 GGADMN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ncc(Br)cc2F)c1 ZINC000630453497 566733424 /nfs/dbraw/zinc/73/34/24/566733424.db2.gz QFNYPJPYQKTCDX-CQSZACIVSA-N 0 1 383.217 3.297 20 0 GGADMN CO[C@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H]1OC ZINC000488532285 566733341 /nfs/dbraw/zinc/73/33/41/566733341.db2.gz GJMXZXKIXYBJMH-GJZGRUSLSA-N 0 1 383.311 3.418 20 0 GGADMN C[N@@H+]1CC=C(CN=c2[n-]nc(-c3cc(Br)ccc3F)s2)CC1 ZINC000468813271 566733363 /nfs/dbraw/zinc/73/33/63/566733363.db2.gz CAHQJHAUEXXGQH-UHFFFAOYSA-N 0 1 383.290 3.202 20 0 GGADMN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])c(C)n2)c(F)cc1Br ZINC000630452345 566733647 /nfs/dbraw/zinc/73/36/47/566733647.db2.gz UDLYQFQJKYVGTR-UHFFFAOYSA-N 0 1 383.217 3.288 20 0 GGADMN CO[C@@H](C)CS(=O)(=O)Nc1ccc(-c2cccc(Br)c2)cn1 ZINC000451016299 566735544 /nfs/dbraw/zinc/73/55/44/566735544.db2.gz NNFOBDAPZRWRNF-NSHDSACASA-N 0 1 385.283 3.288 20 0 GGADMN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(Br)c1O ZINC000561753490 566735697 /nfs/dbraw/zinc/73/56/97/566735697.db2.gz KOHQYUQCYCPJOP-GFCCVEGCSA-N 0 1 392.249 3.359 20 0 GGADMN COC[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000541594610 566736005 /nfs/dbraw/zinc/73/60/05/566736005.db2.gz FRPJMJYPLMJMCO-GFCCVEGCSA-N 0 1 377.798 3.095 20 0 GGADMN OCCN(Cc1cc(Br)ccc1F)C[C@H](O)CCc1ccccc1 ZINC000541590319 566736809 /nfs/dbraw/zinc/73/68/09/566736809.db2.gz YWLAYPBLNQJTQA-GOSISDBHSA-N 0 1 396.300 3.376 20 0 GGADMN CCc1ccccc1S(=O)(=O)Nc1ccc(I)cn1 ZINC000488585787 566736931 /nfs/dbraw/zinc/73/69/31/566736931.db2.gz XNNGGFJSIUNHOU-UHFFFAOYSA-N 0 1 388.230 3.049 20 0 GGADMN O[C@@H](COCC(F)(F)F)CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451023896 566737502 /nfs/dbraw/zinc/73/75/02/566737502.db2.gz VTLAAMOPTKIGSB-RISCZKNCSA-N 0 1 377.794 3.293 20 0 GGADMN COCC[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000541599239 566737720 /nfs/dbraw/zinc/73/77/20/566737720.db2.gz CLGVWHBBJGOZFF-GDBMZVCRSA-N 0 1 384.270 3.149 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000426934858 566738924 /nfs/dbraw/zinc/73/89/24/566738924.db2.gz RZDDLBJNDRQQSR-UONOGXRCSA-N 0 1 377.941 3.481 20 0 GGADMN C[C@@H]1CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)[C@@H](C)CN1C ZINC000426913099 566739505 /nfs/dbraw/zinc/73/95/05/566739505.db2.gz BMHWQFJRHPZWLH-KGLIPLIRSA-N 0 1 377.941 3.481 20 0 GGADMN COC(=O)[C@@H](C)CN(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000608864979 566739806 /nfs/dbraw/zinc/73/98/06/566739806.db2.gz YTLRLGFDGVTJNX-LBPRGKRZSA-N 0 1 387.307 3.225 20 0 GGADMN CCN(C[C@@H]1CCCO1)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000488670051 566739988 /nfs/dbraw/zinc/73/99/88/566739988.db2.gz JIFWSBILHJJMQH-YOEHRIQHSA-N 0 1 383.330 3.297 20 0 GGADMN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000426986178 566740796 /nfs/dbraw/zinc/74/07/96/566740796.db2.gz IZOASNXZLVLFKE-CYBMUJFWSA-N 0 1 389.677 3.442 20 0 GGADMN C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000426980819 566740996 /nfs/dbraw/zinc/74/09/96/566740996.db2.gz BQDZTKWPIOXLAS-KUHUBIRLSA-N 0 1 378.925 3.258 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cncc(Br)c1 ZINC000515964415 566741151 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C[C@H](NCCCn1ccnc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541683192 566743276 /nfs/dbraw/zinc/74/32/76/566743276.db2.gz JFMDOEYKEMRXGI-LBPRGKRZSA-N 0 1 376.258 3.437 20 0 GGADMN CCN1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@H]1C ZINC000677375278 566743506 /nfs/dbraw/zinc/74/35/06/566743506.db2.gz FMWQLBVZUULBFC-CYBMUJFWSA-N 0 1 392.301 3.193 20 0 GGADMN CC(=O)NCCN(C)Cc1cc(Br)c(C)c(Br)c1 ZINC000516065987 566743793 /nfs/dbraw/zinc/74/37/93/566743793.db2.gz AVAPIKDXPIZZOF-UHFFFAOYSA-N 0 1 378.108 3.088 20 0 GGADMN O=C([O-])C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000516075925 566744284 /nfs/dbraw/zinc/74/42/84/566744284.db2.gz JPFIFTGOIFCRHL-UHFFFAOYSA-N 0 1 375.721 3.441 20 0 GGADMN Cc1csc(CCNS(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000677419755 566744566 /nfs/dbraw/zinc/74/45/66/566744566.db2.gz DRKDTHCLXDBRCV-UHFFFAOYSA-N 0 1 397.266 3.013 20 0 GGADMN CN1CCN(C)[C@@H](CNC(=O)c2cc(Cl)ccc2SC2CCCC2)C1 ZINC000541730539 566744844 /nfs/dbraw/zinc/74/48/44/566744844.db2.gz WSQOCJVCBPMZLA-HNNXBMFYSA-N 0 1 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ZINC000630926249 566764836 /nfs/dbraw/zinc/76/48/36/566764836.db2.gz RTVGRHWLSLCWCQ-UHFFFAOYSA-N 0 1 393.285 3.090 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCCCc2cccc(Br)c2)n[nH]1 ZINC000677829822 566765504 /nfs/dbraw/zinc/76/55/04/566765504.db2.gz DEGQHBUOGAFSFB-LLVKDONJSA-N 0 1 380.290 3.123 20 0 GGADMN CSc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)nc1 ZINC000516509165 566766502 /nfs/dbraw/zinc/76/65/02/566766502.db2.gz WHPACSWGAJNKGS-UHFFFAOYSA-N 0 1 380.491 3.478 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cnc(C(F)(F)F)nc1 ZINC000489056709 566766619 /nfs/dbraw/zinc/76/66/19/566766619.db2.gz HDFKECTXJNVSPH-UHFFFAOYSA-N 0 1 386.131 3.387 20 0 GGADMN CC[C@H](CO)N(C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000451161154 566767013 /nfs/dbraw/zinc/76/70/13/566767013.db2.gz XRIHQKKTIZGYSS-CQSZACIVSA-N 0 1 386.233 3.149 20 0 GGADMN CC[C@H](CO)N(C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451158493 566767883 /nfs/dbraw/zinc/76/78/83/566767883.db2.gz ZEURBBSKRUMAFJ-SNVBAGLBSA-N 0 1 383.208 3.109 20 0 GGADMN Cc1nc2ccc(S(=O)(=O)Nc3ccc(S(C)(=O)=O)c(C)c3)cc2s1 ZINC000427336065 566768034 /nfs/dbraw/zinc/76/80/34/566768034.db2.gz HKEVTYYJJZZICY-UHFFFAOYSA-N 0 1 396.515 3.117 20 0 GGADMN CC(C)[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc2[nH]c(=O)oc2c1 ZINC000469188422 566769076 /nfs/dbraw/zinc/76/90/76/566769076.db2.gz HDBIIIGUPRLERP-INIZCTEOSA-N 0 1 380.491 3.485 20 0 GGADMN CCc1ccccc1NC(=O)C[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000469201012 566769885 /nfs/dbraw/zinc/76/98/85/566769885.db2.gz ICGPNDGMOLXLHD-ZDUSSCGKSA-N 0 1 380.535 3.221 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000655005756 566770118 /nfs/dbraw/zinc/77/01/18/566770118.db2.gz UVDZSLILXHXDDZ-BDJLRTHQSA-N 0 1 396.260 3.090 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2Br)c1)c1cnc2nc[nH]c2c1 ZINC000677934329 566770382 /nfs/dbraw/zinc/77/03/82/566770382.db2.gz OTUDPTZINBQNCE-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccccc1I ZINC000516574485 566770377 /nfs/dbraw/zinc/77/03/77/566770377.db2.gz OQMJJZRVBWTEFP-OLZOCXBDSA-N 0 1 388.293 3.494 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000655005759 566770357 /nfs/dbraw/zinc/77/03/57/566770357.db2.gz UVDZSLILXHXDDZ-ZBEGNZNMSA-N 0 1 396.260 3.090 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Br)cc3nc(C)oc32)n[nH]1 ZINC000581353339 566770528 /nfs/dbraw/zinc/77/05/28/566770528.db2.gz PSMJCTOLJJCOQO-SSDOTTSWSA-N 0 1 393.245 3.462 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](CO)c1ccccc1Cl)c1cccs1 ZINC000562211987 566770753 /nfs/dbraw/zinc/77/07/53/566770753.db2.gz AXQPBNONLULWHN-XJKSGUPXSA-N 0 1 381.929 3.080 20 0 GGADMN COC1CCC(N(C)Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000562200282 566770896 /nfs/dbraw/zinc/77/08/96/566770896.db2.gz CSAWMXFAXUMCPE-UHFFFAOYSA-N 0 1 379.302 3.419 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@]1(C)OCCc2sccc21)c1ccsc1 ZINC000562245927 566773192 /nfs/dbraw/zinc/77/31/92/566773192.db2.gz TUCPLOKCEXJWJS-CRAIPNDOSA-N 0 1 379.551 3.200 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cs1 ZINC000451183524 566773459 /nfs/dbraw/zinc/77/34/59/566773459.db2.gz IUVMMSDPHGCAML-MRVPVSSYSA-N 0 1 380.413 3.469 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000516622262 566773505 /nfs/dbraw/zinc/77/35/05/566773505.db2.gz KDUMIVBDKDLLOB-GXTWGEPZSA-N 0 1 376.913 3.417 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000516622262 566773513 /nfs/dbraw/zinc/77/35/13/566773513.db2.gz KDUMIVBDKDLLOB-GXTWGEPZSA-N 0 1 376.913 3.417 20 0 GGADMN COc1cc(Br)ccc1CCC(=O)N1CCN(C2CCC2)CC1 ZINC000542082390 566773604 /nfs/dbraw/zinc/77/36/04/566773604.db2.gz KWTGMGGWRWEBDQ-UHFFFAOYSA-N 0 1 381.314 3.087 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)COc2ccc(Br)cc2)n[nH]1 ZINC000489163604 566774435 /nfs/dbraw/zinc/77/44/35/566774435.db2.gz CUGCJLNXBXAPNV-WDEREUQCSA-N 0 1 381.274 3.337 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2NCc1cccc(Br)c1Cl ZINC000631049425 566774526 /nfs/dbraw/zinc/77/45/26/566774526.db2.gz GFAUINILZKCLPX-CQSZACIVSA-N 0 1 384.705 3.459 20 0 GGADMN C[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000677998417 566774857 /nfs/dbraw/zinc/77/48/57/566774857.db2.gz FZAUNBJFYPONQK-YJBOKZPZSA-N 0 1 395.341 3.266 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(Cc1cc(OC)c(OC)cc1Br)CC2 ZINC000609614258 566774972 /nfs/dbraw/zinc/77/49/72/566774972.db2.gz OBFHLLQRRKPEQR-ZDUSSCGKSA-N 0 1 398.297 3.241 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)COc2cccc(Br)c2)n[nH]1 ZINC000489224109 566775348 /nfs/dbraw/zinc/77/53/48/566775348.db2.gz YBAPLFYDMFUUQN-QWRGUYRKSA-N 0 1 381.274 3.337 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(I)cc2)n[nH]1 ZINC000489210256 566775547 /nfs/dbraw/zinc/77/55/47/566775547.db2.gz UJAXJEFOSDWQTC-NXEZZACHSA-N 0 1 398.248 3.414 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)c1cccs1 ZINC000609596908 566775685 /nfs/dbraw/zinc/77/56/85/566775685.db2.gz DDAYJZQGPSOZRC-ZDUSSCGKSA-N 0 1 393.408 3.101 20 0 GGADMN Cc1cccc(NC(=O)C[C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c1C ZINC000469248157 566776446 /nfs/dbraw/zinc/77/64/46/566776446.db2.gz QZPNELXLIBUYBE-CYBMUJFWSA-N 0 1 380.535 3.275 20 0 GGADMN Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1C ZINC000469248226 566776751 /nfs/dbraw/zinc/77/67/51/566776751.db2.gz QZPNELXLIBUYBE-ZDUSSCGKSA-N 0 1 380.535 3.275 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000489229923 566777047 /nfs/dbraw/zinc/77/70/47/566777047.db2.gz ZLWWYOLSTLCGOI-CWSCBRNRSA-N 0 1 393.285 3.434 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc3c(c(Br)c2)OCO3)n[nH]1 ZINC000489240021 566777215 /nfs/dbraw/zinc/77/72/15/566777215.db2.gz QBFLLBJZAFCAEH-RKDXNWHRSA-N 0 1 395.257 3.300 20 0 GGADMN Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@@](O)(C4CC4)C3)C2=O)ccc1Br ZINC000489264415 566777690 /nfs/dbraw/zinc/77/76/90/566777690.db2.gz MEJORBBVLLDNNP-MJGOQNOKSA-N 0 1 393.325 3.100 20 0 GGADMN CCOC(=O)[C@@]1(NS(=O)(=O)c2ccc(Cl)s2)CCc2ccccc21 ZINC000609614986 566777716 /nfs/dbraw/zinc/77/77/16/566777716.db2.gz HCOPKKSLBAZDNW-MRXNPFEDSA-N 0 1 385.894 3.085 20 0 GGADMN Cc1csc(C(=O)N2CCCN(C(C)C)CC2)c1I ZINC000469267711 566777805 /nfs/dbraw/zinc/77/78/05/566777805.db2.gz YBNQKBOTSHFRLV-UHFFFAOYSA-N 0 1 392.306 3.217 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(I)c2)n[nH]1 ZINC000489272957 566778054 /nfs/dbraw/zinc/77/80/54/566778054.db2.gz XDOFXLLFHCNQTN-ZJUUUORDSA-N 0 1 398.248 3.414 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(Cl)c1 ZINC000581451084 566778351 /nfs/dbraw/zinc/77/83/51/566778351.db2.gz LNHQMIVPOXMDBV-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)CN(C)Cc2ccccc2)c(Cl)c1 ZINC000581451084 566778359 /nfs/dbraw/zinc/77/83/59/566778359.db2.gz LNHQMIVPOXMDBV-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN CC(C)c1n[nH]c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1Br ZINC000581446778 566778970 /nfs/dbraw/zinc/77/89/70/566778970.db2.gz OUCXNNLBPKRUMR-UHFFFAOYSA-N 0 1 397.317 3.483 20 0 GGADMN COCCc1ncc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC000631109978 566779566 /nfs/dbraw/zinc/77/95/66/566779566.db2.gz UVMNIPKRQKGSRN-HNNXBMFYSA-N 0 1 383.876 3.020 20 0 GGADMN COCCc1ncc(CN[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)s1 ZINC000631105039 566779720 /nfs/dbraw/zinc/77/97/20/566779720.db2.gz ROHCCSBDEXYNOF-LLVKDONJSA-N 0 1 383.876 3.020 20 0 GGADMN O=S1(=O)CCO[C@@H](CN[C@H](Cc2ccccc2Cl)c2ccsc2)C1 ZINC000581470620 566779939 /nfs/dbraw/zinc/77/99/39/566779939.db2.gz NAVLHXMHDWLTEA-DOTOQJQBSA-N 0 1 385.938 3.089 20 0 GGADMN O=C(NC1CC1)c1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000678079649 566780123 /nfs/dbraw/zinc/78/01/23/566780123.db2.gz VGBMNPIJNUHFSR-GOSISDBHSA-N 0 1 389.293 3.165 20 0 GGADMN CC1(C)CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@@H]2COC[C@@H]21 ZINC000516728031 566780144 /nfs/dbraw/zinc/78/01/44/566780144.db2.gz LNJRLGKBTFPDRS-QWHCGFSZSA-N 0 1 390.281 3.336 20 0 GGADMN CC(C)N(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1ccc(Br)cc1 ZINC000516745159 566780747 /nfs/dbraw/zinc/78/07/47/566780747.db2.gz NWJPRONKTBPVDH-GJZGRUSLSA-N 0 1 383.330 3.295 20 0 GGADMN Cc1c(I)cccc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489330033 566781154 /nfs/dbraw/zinc/78/11/54/566781154.db2.gz OLEOUMNFYSZNJT-OAHLLOKOSA-N 0 1 386.277 3.012 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCc2sc(Br)cc2C1 ZINC000678087742 566781559 /nfs/dbraw/zinc/78/15/59/566781559.db2.gz AJLLHEOBCGJLHD-UHFFFAOYSA-N 0 1 389.278 3.494 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CCN1C ZINC000489317803 566781720 /nfs/dbraw/zinc/78/17/20/566781720.db2.gz OGDZRDJIYQHXPU-QGZVFWFLSA-N 0 1 378.314 3.272 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CCN1C ZINC000489320053 566781955 /nfs/dbraw/zinc/78/19/55/566781955.db2.gz KRVLLBFDNCCNBH-HNNXBMFYSA-N 0 1 392.297 3.115 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000562348049 566782842 /nfs/dbraw/zinc/78/28/42/566782842.db2.gz QDLVKTJOTYMUID-NSHDSACASA-N 0 1 395.228 3.372 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000609730606 566783041 /nfs/dbraw/zinc/78/30/41/566783041.db2.gz YRIDNCCYJZORIC-QHCPKHFHSA-N 0 1 387.910 3.336 20 0 GGADMN Cc1ccc(NC(=O)CCCCc2cn[nH]n2)cc1I ZINC000469339956 566783080 /nfs/dbraw/zinc/78/30/80/566783080.db2.gz SUXWWSFANNGRAM-UHFFFAOYSA-N 0 1 384.221 3.069 20 0 GGADMN CS(=O)(=O)Nc1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000678126007 566783209 /nfs/dbraw/zinc/78/32/09/566783209.db2.gz BIEGAPSEPYWNGV-QGZVFWFLSA-N 0 1 380.535 3.301 20 0 GGADMN CCCOc1c(Br)cc(CN(CC(N)=O)C2CCCC2)cc1OC ZINC000678136451 566783277 /nfs/dbraw/zinc/78/32/77/566783277.db2.gz OAJDQIJPNWVRBY-UHFFFAOYSA-N 0 1 399.329 3.476 20 0 GGADMN O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000562347185 566783391 /nfs/dbraw/zinc/78/33/91/566783391.db2.gz OSRPORGYCQMRSI-HNNXBMFYSA-N 0 1 380.510 3.469 20 0 GGADMN Cc1ncncc1[C@H](C)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000516785264 566783453 /nfs/dbraw/zinc/78/34/53/566783453.db2.gz VNOBAVJXPREYOC-LRDDRELGSA-N 0 1 375.270 3.004 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1OC ZINC000489340368 566783407 /nfs/dbraw/zinc/78/34/07/566783407.db2.gz OTYGPYSVWFRMIA-OAHLLOKOSA-N 0 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ZINC000451361203 566804020 /nfs/dbraw/zinc/80/40/20/566804020.db2.gz ZAADUPCDFRGOLA-MRVPVSSYSA-N 0 1 383.825 3.030 20 0 GGADMN CC(C)Cn1ncc(NS(=O)(=O)c2cccc3nsnc32)c1C1CC1 ZINC000581747517 566804180 /nfs/dbraw/zinc/80/41/80/566804180.db2.gz MTPAOXISLABKKA-UHFFFAOYSA-N 0 1 377.495 3.222 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1nncn1Cc1ccccc1 ZINC000562578462 566804302 /nfs/dbraw/zinc/80/43/02/566804302.db2.gz IKHJGVFXIQPFMK-UHFFFAOYSA-N 0 1 380.832 3.061 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)[C@@](C)(N)c1ccc(Br)cc1)C2 ZINC000655502706 566804418 /nfs/dbraw/zinc/80/44/18/566804418.db2.gz URFDLUSZWFMQHE-SFHVURJKSA-N 0 1 375.266 3.174 20 0 GGADMN C[C@@](N)(C(=O)N1CCC[C@@H](OC2CCC2)C1)c1ccc(Br)cc1 ZINC000655494418 566804726 /nfs/dbraw/zinc/80/47/26/566804726.db2.gz BJLZPVUWNJZWIT-AEFFLSMTSA-N 0 1 381.314 3.183 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N(C)Cc3cc(Br)cn3C)c(=O)c2c1 ZINC000542492490 566805431 /nfs/dbraw/zinc/80/54/31/566805431.db2.gz QRJAOTICSIIABJ-UHFFFAOYSA-N 0 1 388.265 3.210 20 0 GGADMN Brc1cncc(Br)c1CN[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000581757887 566805635 /nfs/dbraw/zinc/80/56/35/566805635.db2.gz HBSRIEADUVPRNZ-BZHVJNSISA-N 0 1 376.092 3.264 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccccc2Br)n1 ZINC000517101581 566806131 /nfs/dbraw/zinc/80/61/31/566806131.db2.gz ZCBRCOOHGMFLRP-UHFFFAOYSA-N 0 1 387.237 3.424 20 0 GGADMN CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451373534 566806375 /nfs/dbraw/zinc/80/63/75/566806375.db2.gz IVSCDUSSXFCBOD-QWHCGFSZSA-N 0 1 381.416 3.283 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(C)c1 ZINC000489733130 566806848 /nfs/dbraw/zinc/80/68/48/566806848.db2.gz GLYXSYIGAPKBLS-UHFFFAOYSA-N 0 1 396.266 3.449 20 0 GGADMN CN(Cc1ccccn1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451378023 566807057 /nfs/dbraw/zinc/80/70/57/566807057.db2.gz OSJCDRDHPPDRNR-CQSZACIVSA-N 0 1 385.689 3.369 20 0 GGADMN C[C@H]1OCC[C@@]12CN(C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000562615755 566807050 /nfs/dbraw/zinc/80/70/50/566807050.db2.gz QTCMCIXJVVNKCD-ACXGAUJLSA-N 0 1 390.307 3.001 20 0 GGADMN CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451373536 566807067 /nfs/dbraw/zinc/80/70/67/566807067.db2.gz IVSCDUSSXFCBOD-STQMWFEESA-N 0 1 381.416 3.283 20 0 GGADMN CN(Cc1ccccn1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451378022 566807086 /nfs/dbraw/zinc/80/70/86/566807086.db2.gz OSJCDRDHPPDRNR-AWEZNQCLSA-N 0 1 385.689 3.369 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000542506741 566807302 /nfs/dbraw/zinc/80/73/02/566807302.db2.gz PBZKPFPGGCJDCJ-UONOGXRCSA-N 0 1 381.822 3.431 20 0 GGADMN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](c2nc[nH]n2)C1 ZINC000517134143 566807501 /nfs/dbraw/zinc/80/75/01/566807501.db2.gz XQEWDZLBXRIBCH-COPLHBTASA-N 0 1 380.279 3.414 20 0 GGADMN NC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)c(O)c3)cc21 ZINC000427970066 566808191 /nfs/dbraw/zinc/80/81/91/566808191.db2.gz KSLSVUGCFNPWED-UHFFFAOYSA-N 0 1 390.237 3.238 20 0 GGADMN C[C@H](CN(C)[C@H](C)C(=O)NC(=O)NC1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469732475 566809256 /nfs/dbraw/zinc/80/92/56/566809256.db2.gz BYECZKNTLTWUMH-GHMZBOCLSA-N 0 1 388.295 3.069 20 0 GGADMN COCCCNC(=O)[C@@H](C)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469733081 566809440 /nfs/dbraw/zinc/80/94/40/566809440.db2.gz HNWOYZKKAYXSJV-CHWSQXEVSA-N 0 1 377.312 3.234 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)cc2)n1 ZINC000655533427 566809872 /nfs/dbraw/zinc/80/98/72/566809872.db2.gz AQNGHPJVGGGYDF-UKRRQHHQSA-N 0 1 377.535 3.022 20 0 GGADMN C[C@@H]1C[C@@H](CCN[C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@H](C)O1 ZINC000517182122 566810134 /nfs/dbraw/zinc/81/01/34/566810134.db2.gz LEJKZENDOHXROH-AZKPJATDSA-N 0 1 387.293 3.298 20 0 GGADMN CNC(=O)[C@H](CCSC)N[C@@H]1CCSc2ccc(Br)cc21 ZINC000489797903 566810296 /nfs/dbraw/zinc/81/02/96/566810296.db2.gz UUFMOUUWONFYJZ-OLZOCXBDSA-N 0 1 389.384 3.443 20 0 GGADMN C[C@@H](CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1nccs1 ZINC000451392381 566810916 /nfs/dbraw/zinc/81/09/16/566810916.db2.gz GJMMQNBRQFALEQ-VIFPVBQESA-N 0 1 380.413 3.292 20 0 GGADMN C[C@]1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO[C@@H]1C1CC1 ZINC000562675911 566811421 /nfs/dbraw/zinc/81/14/21/566811421.db2.gz YQGLKDRRSNQPAO-WBVHZDCISA-N 0 1 393.285 3.082 20 0 GGADMN COC(=O)c1sc2[nH]c(CNC(C)(C)c3cccs3)nc(=O)c2c1C ZINC000542575234 566811978 /nfs/dbraw/zinc/81/19/78/566811978.db2.gz ZABDSSVWVZEJCA-UHFFFAOYSA-N 0 1 377.491 3.166 20 0 GGADMN CCN(Cc1cc(Br)ccc1F)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000562673119 566812000 /nfs/dbraw/zinc/81/20/00/566812000.db2.gz BDTBJOKWMNVDEL-UHFFFAOYSA-N 0 1 396.264 3.315 20 0 GGADMN C[C@]1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO[C@H]1C1CC1 ZINC000562675910 566812185 /nfs/dbraw/zinc/81/21/85/566812185.db2.gz YQGLKDRRSNQPAO-RDJZCZTQSA-N 0 1 393.285 3.082 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000562673262 566812200 /nfs/dbraw/zinc/81/22/00/566812200.db2.gz INRJWECIYJSRPT-LBPRGKRZSA-N 0 1 394.248 3.070 20 0 GGADMN C[C@@]1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO[C@@H]1C1CC1 ZINC000562675909 566812226 /nfs/dbraw/zinc/81/22/26/566812226.db2.gz YQGLKDRRSNQPAO-NVXWUHKLSA-N 0 1 393.285 3.082 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000517215530 566813000 /nfs/dbraw/zinc/81/30/00/566813000.db2.gz CJVUITZIVIDRHG-VAGZCVSGSA-N 0 1 390.307 3.001 20 0 GGADMN CSc1ccc(OC[C@@H](O)CN2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000562701137 566813126 /nfs/dbraw/zinc/81/31/26/566813126.db2.gz CFBRTZZCMMNGKH-DZGCQCFKSA-N 0 1 379.444 3.192 20 0 GGADMN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000678719767 566813759 /nfs/dbraw/zinc/81/37/59/566813759.db2.gz NILWWLBLQPVNKN-UHFFFAOYSA-N 0 1 379.503 3.160 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1C ZINC000610192375 566813978 /nfs/dbraw/zinc/81/39/78/566813978.db2.gz SREYAAQWPFXXRC-UHFFFAOYSA-N 0 1 382.869 3.302 20 0 GGADMN CC1=CCN(CCNCc2c(Br)cncc2Br)CC1 ZINC000517242267 566814138 /nfs/dbraw/zinc/81/41/38/566814138.db2.gz NGLJJIIDPJGLMM-UHFFFAOYSA-N 0 1 389.135 3.348 20 0 GGADMN CCCNC(=O)NC(=O)CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000610219838 566814917 /nfs/dbraw/zinc/81/49/17/566814917.db2.gz YDICECISVZQWCL-UHFFFAOYSA-N 0 1 388.280 3.106 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](N[C@H]2C[C@@H](CO)C2)c2ccc(Cl)cc2)c1 ZINC000631671306 566815231 /nfs/dbraw/zinc/81/52/31/566815231.db2.gz XGFFWXQBCWIHQW-IRWQIABSSA-N 0 1 379.909 3.193 20 0 GGADMN CC(=O)c1ccc(OC[C@@H](O)CNCc2cc(Br)ccc2F)cc1 ZINC000517255688 566815309 /nfs/dbraw/zinc/81/53/09/566815309.db2.gz STDWENXPVSGURI-INIZCTEOSA-N 0 1 396.256 3.320 20 0 GGADMN COC(=O)c1cccc(Br)c1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451415723 566815618 /nfs/dbraw/zinc/81/56/18/566815618.db2.gz FXWQWAKBZJXNCG-XYPHTWIQSA-N 0 1 382.298 3.361 20 0 GGADMN Cc1ccc(CN[C@@H](C)c2cncc(Br)c2)cc1S(C)(=O)=O ZINC000517246867 566815677 /nfs/dbraw/zinc/81/56/77/566815677.db2.gz LPPGLZSXKHEYFT-LBPRGKRZSA-N 0 1 383.311 3.407 20 0 GGADMN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc2nc[nH]c21 ZINC000428076026 566816056 /nfs/dbraw/zinc/81/60/56/566816056.db2.gz MDTGFJMZLRTZBD-CYBMUJFWSA-N 0 1 385.265 3.334 20 0 GGADMN Cc1ccc(CN[C@H](C)c2cncc(Br)c2)cc1S(C)(=O)=O ZINC000517246866 566816276 /nfs/dbraw/zinc/81/62/76/566816276.db2.gz LPPGLZSXKHEYFT-GFCCVEGCSA-N 0 1 383.311 3.407 20 0 GGADMN COC(=O)c1cccc(Br)c1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451415720 566816366 /nfs/dbraw/zinc/81/63/66/566816366.db2.gz FXWQWAKBZJXNCG-IAOVAPTHSA-N 0 1 382.298 3.361 20 0 GGADMN CCN(Cc1ccc(Cl)s1)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000562728551 566816739 /nfs/dbraw/zinc/81/67/39/566816739.db2.gz JAMYYUNDSVJIKH-UHFFFAOYSA-N 0 1 376.873 3.313 20 0 GGADMN FC(F)(F)[C@@H](CN[C@@H]1CCc2cc(Br)ccc21)n1cncn1 ZINC000631685965 566816847 /nfs/dbraw/zinc/81/68/47/566816847.db2.gz BQINQVDHQWNORH-CHWSQXEVSA-N 0 1 375.192 3.421 20 0 GGADMN Cc1cccc(NC(=O)C[C@H](C)NCc2c(Br)cnn2C)c1C ZINC000631685681 566816901 /nfs/dbraw/zinc/81/69/01/566816901.db2.gz XZJLOUZMWSZWSL-LBPRGKRZSA-N 0 1 379.302 3.306 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000610231283 566816953 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CCOc1cccc(CNCCC(=O)Nc2ccc(Br)cc2)n1 ZINC000542692178 566818922 /nfs/dbraw/zinc/81/89/22/566818922.db2.gz VHZFNNLKVMHXET-UHFFFAOYSA-N 0 1 378.270 3.361 20 0 GGADMN COC[C@H](N[C@@H](CCSC)C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000489953081 566819283 /nfs/dbraw/zinc/81/92/83/566819283.db2.gz BDTRHIMNGYJCNP-GJZGRUSLSA-N 0 1 378.460 3.192 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000517321081 566819614 /nfs/dbraw/zinc/81/96/14/566819614.db2.gz ROPIHYRZRXHTNV-HGTKMLMNSA-N 0 1 375.340 3.456 20 0 GGADMN Cc1nocc1S(=O)(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631728501 566819743 /nfs/dbraw/zinc/81/97/43/566819743.db2.gz QUDIJSXAGVRPQG-BRPSZJMVSA-N 0 1 380.310 3.171 20 0 GGADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000517353404 566821053 /nfs/dbraw/zinc/82/10/53/566821053.db2.gz NLFPRFAMGLLXTP-QWHCGFSZSA-N 0 1 390.380 3.226 20 0 GGADMN O=C(NCc1cccc(Cn2cccn2)c1)c1cccc(Br)c1O ZINC000517348816 566821134 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CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000490227916 566837352 /nfs/dbraw/zinc/83/73/52/566837352.db2.gz WMHLIMCRVAOTAO-GUYCJALGSA-N 0 1 381.314 3.403 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@H]1C ZINC000469997724 566837546 /nfs/dbraw/zinc/83/75/46/566837546.db2.gz ABMPPLJFFOEZJE-SMDDNHRTSA-N 0 1 379.254 3.488 20 0 GGADMN CO[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000451557001 566837577 /nfs/dbraw/zinc/83/75/77/566837577.db2.gz NNCXYJKHVDPOBP-JKSUJKDBSA-N 0 1 381.314 3.301 20 0 GGADMN CO[C@@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000451557000 566837647 /nfs/dbraw/zinc/83/76/47/566837647.db2.gz NNCXYJKHVDPOBP-HZPDHXFCSA-N 0 1 381.314 3.301 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000562942081 566837456 /nfs/dbraw/zinc/83/74/56/566837456.db2.gz HZOUVTIYWVWHOQ-HNNXBMFYSA-N 0 1 379.302 3.128 20 0 GGADMN CC[C@H](C)NC(=O)[C@H](C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655721369 566838093 /nfs/dbraw/zinc/83/80/93/566838093.db2.gz OBIWNTXWIYZQMJ-JSGCOSHPSA-N 0 1 393.329 3.336 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c(Br)c1 ZINC000517639251 566838136 /nfs/dbraw/zinc/83/81/36/566838136.db2.gz FJLQSOFZIVBLFE-HXUWFJFHSA-N 0 1 388.308 3.296 20 0 GGADMN CCOC(=O)CN(Cc1n[nH]c(C)n1)[C@H](C)c1cccc(Br)c1 ZINC000428393886 566838201 /nfs/dbraw/zinc/83/82/01/566838201.db2.gz QGYBLDIUYXDBKJ-LLVKDONJSA-N 0 1 381.274 3.002 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CCCn2ccnc21 ZINC000655711177 566839027 /nfs/dbraw/zinc/83/90/27/566839027.db2.gz HOASBHZYRTXZQD-INIZCTEOSA-N 0 1 391.313 3.119 20 0 GGADMN CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428404850 566839068 /nfs/dbraw/zinc/83/90/68/566839068.db2.gz SNSMJWOWJACNAP-UHFFFAOYSA-N 0 1 383.739 3.063 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)cc1Cl ZINC000542933559 566839329 /nfs/dbraw/zinc/83/93/29/566839329.db2.gz SDWLAIZLFQIVSJ-UHFFFAOYSA-N 0 1 379.869 3.373 20 0 GGADMN O=C(CCc1c[nH]nn1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000631990393 566839681 /nfs/dbraw/zinc/83/96/81/566839681.db2.gz OQKOQPRAKMZPIG-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN O=C(CCc1cnn[nH]1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000631990393 566839684 /nfs/dbraw/zinc/83/96/84/566839684.db2.gz OQKOQPRAKMZPIG-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN C[S@](=O)c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000610519465 566839825 /nfs/dbraw/zinc/83/98/25/566839825.db2.gz HZWOULABYADZHF-QHCPKHFHSA-N 0 1 396.306 3.248 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CN1C1CC1 ZINC000428407794 566839990 /nfs/dbraw/zinc/83/99/90/566839990.db2.gz ZROASMPOSWBECC-UWVGGRQHSA-N 0 1 393.734 3.006 20 0 GGADMN C[S@@](=O)c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000610519464 566840286 /nfs/dbraw/zinc/84/02/86/566840286.db2.gz HZWOULABYADZHF-HSZRJFAPSA-N 0 1 396.306 3.248 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H]1CCN(C(C)C)C1=O ZINC000655737102 566841152 /nfs/dbraw/zinc/84/11/52/566841152.db2.gz VBOAKXCMHMYSFW-MRXNPFEDSA-N 0 1 391.313 3.042 20 0 GGADMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655721371 566841189 /nfs/dbraw/zinc/84/11/89/566841189.db2.gz OBIWNTXWIYZQMJ-TZMCWYRMSA-N 0 1 393.329 3.336 20 0 GGADMN C[C@H](CO)N1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000470062306 566841235 /nfs/dbraw/zinc/84/12/35/566841235.db2.gz NHCRERDBZLENOG-CQSZACIVSA-N 0 1 391.309 3.131 20 0 GGADMN CCc1noc(CC)c1CNC[C@H](O)COc1cccc(Br)c1 ZINC000562990130 566841940 /nfs/dbraw/zinc/84/19/40/566841940.db2.gz FALKHRJHSOJZDS-ZDUSSCGKSA-N 0 1 383.286 3.091 20 0 GGADMN Cc1cccc(I)c1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000490307796 566842185 /nfs/dbraw/zinc/84/21/85/566842185.db2.gz MNZBMUVAEPDUKF-AWEZNQCLSA-N 0 1 386.277 3.012 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000655741099 566842910 /nfs/dbraw/zinc/84/29/10/566842910.db2.gz FAQZPDCQWDQEFA-MRXNPFEDSA-N 0 1 391.313 3.042 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000517718091 566843913 /nfs/dbraw/zinc/84/39/13/566843913.db2.gz UKWACOUFYNKEFC-QGZVFWFLSA-N 0 1 391.313 3.390 20 0 GGADMN O=C(c1cccc2c(Br)cccc12)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000632053983 566844473 /nfs/dbraw/zinc/84/44/73/566844473.db2.gz IZLSJNAIRQGTAY-LLVKDONJSA-N 0 1 386.253 3.135 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H](CO)CC(F)(F)F ZINC000655751985 566845183 /nfs/dbraw/zinc/84/51/83/566845183.db2.gz UFNDTXPOCUJYJB-ZDUSSCGKSA-N 0 1 392.219 3.346 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1Cl ZINC000679293284 566845396 /nfs/dbraw/zinc/84/53/96/566845396.db2.gz MFKCXSOWEMUXMI-TZMCWYRMSA-N 0 1 377.337 3.325 20 0 GGADMN O=C(c1cccc2c(Br)cccc12)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000632053984 566845461 /nfs/dbraw/zinc/84/54/61/566845461.db2.gz IZLSJNAIRQGTAY-NSHDSACASA-N 0 1 386.253 3.135 20 0 GGADMN COCCO[C@H]1COCC[C@H]1NCc1oc2ccccc2c1Br ZINC000655761031 566845482 /nfs/dbraw/zinc/84/54/82/566845482.db2.gz DVVOMSRGJNVJLX-CJNGLKHVSA-N 0 1 384.270 3.105 20 0 GGADMN OC[C@@H]([C@@H](NCc1nc(-c2cccc(Br)c2)no1)C1CC1)C1CC1 ZINC000451585761 566845561 /nfs/dbraw/zinc/84/55/61/566845561.db2.gz DYEMTKGJJFLUMB-WBVHZDCISA-N 0 1 392.297 3.386 20 0 GGADMN COC[C@H](NS(=O)(=O)c1cscc1Br)c1ccc(C)o1 ZINC000632059204 566846250 /nfs/dbraw/zinc/84/62/50/566846250.db2.gz DMENHCKDSJARDG-JTQLQIEISA-N 0 1 380.285 3.078 20 0 GGADMN Cc1nn(-c2ccccc2Cl)cc1CNCC1(S(C)(=O)=O)CCCC1 ZINC000655774093 566846734 /nfs/dbraw/zinc/84/67/34/566846734.db2.gz PNUUQTKPUKRKFI-UHFFFAOYSA-N 0 1 381.929 3.281 20 0 GGADMN CC(C)(CO)N1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000679315840 566847201 /nfs/dbraw/zinc/84/72/01/566847201.db2.gz KSLUGIOCSUOXJR-UHFFFAOYSA-N 0 1 379.353 3.293 20 0 GGADMN CC(C)(CO)N1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000679315780 566847463 /nfs/dbraw/zinc/84/74/63/566847463.db2.gz JFWVWVHJCHRDPD-UHFFFAOYSA-N 0 1 397.357 3.077 20 0 GGADMN O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCNCC1 ZINC000428477993 566847598 /nfs/dbraw/zinc/84/75/98/566847598.db2.gz VBVYCAQAFFFIQS-UHFFFAOYSA-N 0 1 375.266 3.074 20 0 GGADMN Cc1cc(CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)n[nH]1 ZINC000679307371 566847726 /nfs/dbraw/zinc/84/77/26/566847726.db2.gz NDFILVLUQDXDDP-UHFFFAOYSA-N 0 1 379.189 3.205 20 0 GGADMN CCc1nc(CN(C)C(=O)[C@@](C)(N)c2ccc(Br)cc2)cs1 ZINC000563055601 566848692 /nfs/dbraw/zinc/84/86/92/566848692.db2.gz GKRIQOZXUOJTAQ-INIZCTEOSA-N 0 1 382.327 3.301 20 0 GGADMN CCc1cnccc1[C@H](C)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000543053526 566848994 /nfs/dbraw/zinc/84/89/94/566848994.db2.gz OSYBMPMAUHCZHU-LBPRGKRZSA-N 0 1 387.281 3.265 20 0 GGADMN Fc1ccc(Br)c2c1CC[C@@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655796482 566849308 /nfs/dbraw/zinc/84/93/08/566849308.db2.gz HYYWJDDOZYKRFG-QWHCGFSZSA-N 0 1 381.249 3.335 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)cc1Br ZINC000655799072 566849349 /nfs/dbraw/zinc/84/93/49/566849349.db2.gz ZUWXFQHNCICGBF-IINYFYTJSA-N 0 1 381.274 3.278 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000490424032 566849450 /nfs/dbraw/zinc/84/94/50/566849450.db2.gz SLQPBTAEOQGPKW-ZDUSSCGKSA-N 0 1 376.444 3.200 20 0 GGADMN CN(CCCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl)S(C)(=O)=O ZINC000679331495 566849519 /nfs/dbraw/zinc/84/95/19/566849519.db2.gz IYPBTUOUJLOPEW-SFHVURJKSA-N 0 1 384.904 3.440 20 0 GGADMN Brc1cccc2c1C[C@@H]([NH2+]Cc1nnc([C@H]3CCCO3)[n-]1)CC2 ZINC000655796674 566849716 /nfs/dbraw/zinc/84/97/16/566849716.db2.gz IBGPMACTFZEZJD-SWLSCSKDSA-N 0 1 377.286 3.066 20 0 GGADMN Brc1ccc2c(c1)OCCC[C@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655796913 566849729 /nfs/dbraw/zinc/84/97/29/566849729.db2.gz KPIHCMROVYHUAN-ZIAGYGMSSA-N 0 1 393.285 3.422 20 0 GGADMN Brc1cccc2c1OCCC[C@@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655799050 566849804 /nfs/dbraw/zinc/84/98/04/566849804.db2.gz ZLHGVLDJFTYQCQ-UONOGXRCSA-N 0 1 393.285 3.422 20 0 GGADMN Brc1ccc2c(c1)OCCC[C@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655796911 566849822 /nfs/dbraw/zinc/84/98/22/566849822.db2.gz KPIHCMROVYHUAN-KGLIPLIRSA-N 0 1 393.285 3.422 20 0 GGADMN CS(=O)(=O)CC1(CNCc2oc3ccccc3c2Br)CCC1 ZINC000655781518 566849857 /nfs/dbraw/zinc/84/98/57/566849857.db2.gz IBPZKFZZIDZDIW-UHFFFAOYSA-N 0 1 386.311 3.500 20 0 GGADMN Brc1cccc2c1OCCC[C@@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655799048 566850118 /nfs/dbraw/zinc/85/01/18/566850118.db2.gz ZLHGVLDJFTYQCQ-KBPBESRZSA-N 0 1 393.285 3.422 20 0 GGADMN C[C@H](Cc1ccsc1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000543085412 566850780 /nfs/dbraw/zinc/85/07/80/566850780.db2.gz ZLTMPJYAKXEYTK-RHSMWYFYSA-N 0 1 382.526 3.261 20 0 GGADMN C[C@@H](Cc1ccsc1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000543085413 566850942 /nfs/dbraw/zinc/85/09/42/566850942.db2.gz ZLTMPJYAKXEYTK-WMLDXEAASA-N 0 1 382.526 3.261 20 0 GGADMN CCCOc1ccc(Br)cc1CNCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655817919 566851398 /nfs/dbraw/zinc/85/13/98/566851398.db2.gz BADSYWWXAZWBQL-OAHLLOKOSA-N 0 1 395.301 3.497 20 0 GGADMN O=C(CN[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)NC1CCCC1 ZINC000679355554 566852018 /nfs/dbraw/zinc/85/20/18/566852018.db2.gz SOJVQMKATXQFJM-WMZOPIPTSA-N 0 1 381.314 3.318 20 0 GGADMN CC(C)C[C@@H]1C[C@@H](NC(=O)[C@@](C)(N)c2ccc(Br)cc2)CCO1 ZINC000563086935 566852093 /nfs/dbraw/zinc/85/20/93/566852093.db2.gz WLZAINAURXUMFD-JZXOWHBKSA-N 0 1 383.330 3.333 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000490443932 566852207 /nfs/dbraw/zinc/85/22/07/566852207.db2.gz VZGWRBRRSSWIBD-LBPRGKRZSA-N 0 1 377.337 3.488 20 0 GGADMN COc1cc(C)cc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000563090216 566853082 /nfs/dbraw/zinc/85/30/82/566853082.db2.gz KAJQYDRVJADUMX-SFHVURJKSA-N 0 1 377.282 3.256 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2cnc3ccc(Cl)cn23)cc1Cl ZINC000428536322 566853190 /nfs/dbraw/zinc/85/31/90/566853190.db2.gz LDLGZWJFVDJAGH-UHFFFAOYSA-N 0 1 384.288 3.334 20 0 GGADMN CC(C)(CO)CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000679356609 566853503 /nfs/dbraw/zinc/85/35/03/566853503.db2.gz CZYXLSNIMZDIHQ-SFHVURJKSA-N 0 1 381.925 3.441 20 0 GGADMN Cn1nnc2c1CC[C@@H](N[C@H](c1ccco1)c1ccc(Br)cc1)C2 ZINC000655827240 566853797 /nfs/dbraw/zinc/85/37/97/566853797.db2.gz QFKZFMKJFWVOTA-KDOFPFPSSA-N 0 1 387.281 3.407 20 0 GGADMN COCCS(=O)(=O)c1ccc(CNCc2cnc(C3CCC3)s2)cc1 ZINC000428539068 566854106 /nfs/dbraw/zinc/85/41/06/566854106.db2.gz APQLCBOKFJFXDH-UHFFFAOYSA-N 0 1 380.535 3.121 20 0 GGADMN C[C@H](Cc1ccccn1)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000655834895 566854552 /nfs/dbraw/zinc/85/45/52/566854552.db2.gz SNBMTMMXCLPXNM-GHMZBOCLSA-N 0 1 388.320 3.318 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2ccc(-n3cccn3)cc2)cc1Cl ZINC000428537430 566854614 /nfs/dbraw/zinc/85/46/14/566854614.db2.gz LTANPZWJDVDIAA-UHFFFAOYSA-N 0 1 375.881 3.219 20 0 GGADMN CN(CCNCc1cscc1C(F)(F)F)S(=O)(=O)c1cccs1 ZINC000582389257 566855948 /nfs/dbraw/zinc/85/59/48/566855948.db2.gz CBHMXYGOBLEFIU-UHFFFAOYSA-N 0 1 384.470 3.239 20 0 GGADMN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000563129134 566858026 /nfs/dbraw/zinc/85/80/26/566858026.db2.gz BXYCCOLKLZNWGS-ZETCQYMHSA-N 0 1 390.130 3.162 20 0 GGADMN COCc1nc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)no1 ZINC000679462704 566858421 /nfs/dbraw/zinc/85/84/21/566858421.db2.gz IJFIACLLBWOTNT-UHFFFAOYSA-N 0 1 382.243 3.056 20 0 GGADMN OC[C@@H](CNCc1ncc(Cl)s1)Cc1ccc(Br)cc1 ZINC000428554186 566858416 /nfs/dbraw/zinc/85/84/16/566858416.db2.gz YRJGWFUWJRCLLF-LLVKDONJSA-N 0 1 375.719 3.500 20 0 GGADMN CN1CCC2(CCCN2S(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC000632170395 566858374 /nfs/dbraw/zinc/85/83/74/566858374.db2.gz WQAHTCWUPYMWIY-UHFFFAOYSA-N 0 1 377.535 3.059 20 0 GGADMN O=S(=O)(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1ccccc1Br ZINC000470236190 566858821 /nfs/dbraw/zinc/85/88/21/566858821.db2.gz DGLGMLNBJHTOSV-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN O=S(=O)(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cccc(Br)c1 ZINC000470241828 566860518 /nfs/dbraw/zinc/86/05/18/566860518.db2.gz CMMJCSZFLWDRCJ-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN CCn1nc(C)c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c1C ZINC000518038907 566861159 /nfs/dbraw/zinc/86/11/59/566861159.db2.gz VICMDOVPKZOWKA-UHFFFAOYSA-N 0 1 389.257 3.320 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000451685672 566862619 /nfs/dbraw/zinc/86/26/19/566862619.db2.gz XUWBSMNJRRVXLJ-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1n[nH]c2ccccc21 ZINC000470323322 566863886 /nfs/dbraw/zinc/86/38/86/566863886.db2.gz GWDYJHOZURRSSE-UHFFFAOYSA-N 0 1 396.248 3.441 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696728 566864207 /nfs/dbraw/zinc/86/42/07/566864207.db2.gz PTGMRYLYVJTJJG-YCPHGPKFSA-N 0 1 381.314 3.179 20 0 GGADMN Cc1cc(NC(=O)CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)ccc1Br ZINC000451691533 566864223 /nfs/dbraw/zinc/86/42/23/566864223.db2.gz CLOJCIUALPYJHW-IJEWVQPXSA-N 0 1 381.314 3.179 20 0 GGADMN CCCN1CCN(C(=O)Nc2cc(C)cc(I)c2)CC1 ZINC000490565656 566864288 /nfs/dbraw/zinc/86/42/88/566864288.db2.gz JTUHFBQVOCGFMY-UHFFFAOYSA-N 0 1 387.265 3.159 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000518088905 566865168 /nfs/dbraw/zinc/86/51/68/566865168.db2.gz DCMBYMBODVCZFV-CYBMUJFWSA-N 0 1 380.407 3.093 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@H]2C1 ZINC000451701219 566865347 /nfs/dbraw/zinc/86/53/47/566865347.db2.gz GZYKNVPFGATOPU-GZBFAFLISA-N 0 1 382.298 3.203 20 0 GGADMN Cn1c2cc(Br)ccc2nc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701551 566865374 /nfs/dbraw/zinc/86/53/74/566865374.db2.gz QWJJDFBAIOTVAM-VNHYZAJKSA-N 0 1 378.314 3.319 20 0 GGADMN OC[C@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)Cc1ccco1 ZINC000543237577 566865842 /nfs/dbraw/zinc/86/58/42/566865842.db2.gz BYNPKSGLTOLOAJ-LBPRGKRZSA-N 0 1 381.263 3.108 20 0 GGADMN COC1CCN(C2(CNS(=O)(=O)c3ccc(Cl)s3)CCCC2)CC1 ZINC000518090479 566867087 /nfs/dbraw/zinc/86/70/87/566867087.db2.gz RSNBGXHYQZHEFA-UHFFFAOYSA-N 0 1 392.974 3.103 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273667 566868148 /nfs/dbraw/zinc/86/81/48/566868148.db2.gz WKENQOXKKCLORA-YUMQZZPRSA-N 0 1 393.332 3.182 20 0 GGADMN CN(CC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCSC1 ZINC000490608337 566868835 /nfs/dbraw/zinc/86/88/35/566868835.db2.gz MZOQZSKSBIITMD-OCCSQVGLSA-N 0 1 389.348 3.410 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)CC(=O)N(C)Cc1ccccc1Br ZINC000490608149 566869291 /nfs/dbraw/zinc/86/92/91/566869291.db2.gz NPXOCRKXSJAABA-UHFFFAOYSA-N 0 1 399.329 3.071 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451718748 566869289 /nfs/dbraw/zinc/86/92/89/566869289.db2.gz WOYLKUOZWZDVHY-VMUDFCTBSA-N 0 1 381.314 3.259 20 0 GGADMN CN(CCNCc1c(Cl)ccc2cccnc21)S(=O)(=O)c1cccs1 ZINC000679720135 566869443 /nfs/dbraw/zinc/86/94/43/566869443.db2.gz PYHOZRDHXGTZKL-UHFFFAOYSA-N 0 1 395.937 3.360 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451718751 566869667 /nfs/dbraw/zinc/86/96/67/566869667.db2.gz WOYLKUOZWZDVHY-WVZRYYJFSA-N 0 1 381.314 3.259 20 0 GGADMN O=S(=O)(NCCNCc1c(Cl)ccc2cccnc21)c1cccs1 ZINC000679718860 566869985 /nfs/dbraw/zinc/86/99/85/566869985.db2.gz DNRYGNZAOYEXRP-UHFFFAOYSA-N 0 1 381.910 3.018 20 0 GGADMN CC[C@@H]1CN(CC)CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000451731583 566870348 /nfs/dbraw/zinc/87/03/48/566870348.db2.gz RNODFADAEYHYSV-CYBMUJFWSA-N 0 1 388.737 3.457 20 0 GGADMN COC(=O)[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1Cl ZINC000543305557 566870275 /nfs/dbraw/zinc/87/02/75/566870275.db2.gz QMFFCIFFRQQBCF-BONVTDFDSA-N 0 1 382.247 3.167 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CCC[C@@H]1c1ccccc1Br ZINC000656119713 566871944 /nfs/dbraw/zinc/87/19/44/566871944.db2.gz SXQNFPCGZUUYQG-CQSZACIVSA-N 0 1 390.285 3.491 20 0 GGADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000563288628 566873416 /nfs/dbraw/zinc/87/34/16/566873416.db2.gz IKTFYXCEZFICOM-SUMWQHHRSA-N 0 1 376.280 3.166 20 0 GGADMN Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)s1 ZINC000563288532 566873560 /nfs/dbraw/zinc/87/35/60/566873560.db2.gz HLDNVCYQQDHAGL-BIGNPOOSSA-N 0 1 396.310 3.470 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC000470449698 566873694 /nfs/dbraw/zinc/87/36/94/566873694.db2.gz MBQKIKVBQAGODM-UHFFFAOYSA-N 0 1 375.368 3.417 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)CC(=O)Nc1ccc(C)cc1Br ZINC000490646709 566873815 /nfs/dbraw/zinc/87/38/15/566873815.db2.gz AYWVFNZPLAYYBI-UHFFFAOYSA-N 0 1 385.302 3.360 20 0 GGADMN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ncc[nH]1 ZINC000632318641 566873908 /nfs/dbraw/zinc/87/39/08/566873908.db2.gz IKYPBRKYIPCKQV-UHFFFAOYSA-N 0 1 387.305 3.268 20 0 GGADMN Brc1cc2ccccc2nc1N1CC[C@H](CN2CCOCC2)C1 ZINC000656129099 566874081 /nfs/dbraw/zinc/87/40/81/566874081.db2.gz UDDUHYKYTZNGFE-CQSZACIVSA-N 0 1 376.298 3.156 20 0 GGADMN Cn1ccnc1[C@H]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554151 566874580 /nfs/dbraw/zinc/87/45/80/566874580.db2.gz DUZBRTMDECGDLP-LRDDRELGSA-N 0 1 379.291 3.322 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cccc(Br)c2)CC1 ZINC000428732852 566874484 /nfs/dbraw/zinc/87/44/84/566874484.db2.gz OFZGQGYMECSTOW-SJORKVTESA-N 0 1 382.298 3.239 20 0 GGADMN CS(=O)(=O)c1ccc(NC2CCN(CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000563307143 566874977 /nfs/dbraw/zinc/87/49/77/566874977.db2.gz ZWHAJJMIHVVMKC-UHFFFAOYSA-N 0 1 376.444 3.395 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000428774387 566876389 /nfs/dbraw/zinc/87/63/89/566876389.db2.gz VHIKFZYIPCXYBA-KDOFPFPSSA-N 0 1 391.309 3.085 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000563325063 566876767 /nfs/dbraw/zinc/87/67/67/566876767.db2.gz JLCDTPNZYGESIV-OKILXGFUSA-N 0 1 383.330 3.331 20 0 GGADMN CC(C)c1nnc(CNS(=O)(=O)c2cccc(Br)c2F)s1 ZINC000543395241 566876842 /nfs/dbraw/zinc/87/68/42/566876842.db2.gz SZJLNZBDVRWNFP-UHFFFAOYSA-N 0 1 394.291 3.042 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(C)cc1Br ZINC000470473472 566876927 /nfs/dbraw/zinc/87/69/27/566876927.db2.gz LYUKEKZILVDCBL-OAHLLOKOSA-N 0 1 395.341 3.391 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)s1 ZINC000582583862 566876934 /nfs/dbraw/zinc/87/69/34/566876934.db2.gz UCYAMCYDLTXZJO-OAHLLOKOSA-N 0 1 376.507 3.470 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1 ZINC000428777841 566877501 /nfs/dbraw/zinc/87/75/01/566877501.db2.gz HJBZVFGLYIANQV-RDTXWAMCSA-N 0 1 391.309 3.119 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N1CCc2ccccc21 ZINC000428788284 566877520 /nfs/dbraw/zinc/87/75/20/566877520.db2.gz RPAZPODDRLLCOY-DYVFJYSZSA-N 0 1 389.293 3.050 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(Br)cc1 ZINC000518347296 566878119 /nfs/dbraw/zinc/87/81/19/566878119.db2.gz QSZBEWXFNAISKT-UHFFFAOYSA-N 0 1 387.237 3.084 20 0 GGADMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000543414848 566878312 /nfs/dbraw/zinc/87/83/12/566878312.db2.gz AZMVATDDIQJFFR-NSHDSACASA-N 0 1 395.750 3.255 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000679888406 566878556 /nfs/dbraw/zinc/87/85/56/566878556.db2.gz VZPTZNCGUQALFU-AWEZNQCLSA-N 0 1 395.297 3.344 20 0 GGADMN CCOC(=O)C1(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCC1 ZINC000543413370 566879095 /nfs/dbraw/zinc/87/90/95/566879095.db2.gz IIMKDJAVANPDPL-UHFFFAOYSA-N 0 1 383.279 3.397 20 0 GGADMN CCOC(=O)C1(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CCC1 ZINC000543413930 566879358 /nfs/dbraw/zinc/87/93/58/566879358.db2.gz HHDTVJMMYNUSGJ-UHFFFAOYSA-N 0 1 383.279 3.397 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(C)cc1Br ZINC000470502772 566879564 /nfs/dbraw/zinc/87/95/64/566879564.db2.gz LYUKEKZILVDCBL-HNNXBMFYSA-N 0 1 395.341 3.391 20 0 GGADMN O=C(CN[C@H]1CCC(=O)Nc2ccccc21)Nc1cccc(Br)c1 ZINC000543426324 566880296 /nfs/dbraw/zinc/88/02/96/566880296.db2.gz PGTNMLIGDRTXKN-HNNXBMFYSA-N 0 1 388.265 3.451 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000428802470 566880570 /nfs/dbraw/zinc/88/05/70/566880570.db2.gz JRWCCODSAPAXKK-GNNCWXLZSA-N 0 1 397.357 3.402 20 0 GGADMN Cc1cccc(NC(=O)[C@H](C)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000428802994 566880747 /nfs/dbraw/zinc/88/07/47/566880747.db2.gz HXROLEUHTHTUGT-SUMWQHHRSA-N 0 1 377.282 3.408 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NCC1CCCCC1 ZINC000428813428 566880867 /nfs/dbraw/zinc/88/08/67/566880867.db2.gz DBESFQOUBPGWEA-SUMWQHHRSA-N 0 1 383.330 3.157 20 0 GGADMN O=S1(=O)CCCC[C@H]1CN[C@H]1CCc2c1cc(Br)cc2F ZINC000543425705 566881033 /nfs/dbraw/zinc/88/10/33/566881033.db2.gz DGRVNQBKCBQKDI-NHYWBVRUSA-N 0 1 376.291 3.132 20 0 GGADMN Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2Br)n[nH]1 ZINC000632395371 566881103 /nfs/dbraw/zinc/88/11/03/566881103.db2.gz MCJBKQRUUOJQGZ-VIFPVBQESA-N 0 1 392.706 3.044 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NCCC1=CCCCC1 ZINC000428814858 566881272 /nfs/dbraw/zinc/88/12/72/566881272.db2.gz FBABGQMEICYLLL-KDOFPFPSSA-N 0 1 395.341 3.467 20 0 GGADMN C[C@H](C(=O)N1CCC(Nc2cccc(Br)c2)CC1)N1CC(C)C1 ZINC000563393763 566882021 /nfs/dbraw/zinc/88/20/21/566882021.db2.gz JCYDWYXULUXMQA-CQSZACIVSA-N 0 1 380.330 3.192 20 0 GGADMN Cc1ccncc1[C@@H](C)NCC(=O)N(C)Cc1ccccc1Br ZINC000679946682 566882343 /nfs/dbraw/zinc/88/23/43/566882343.db2.gz XWWCDQKLDDWARX-CQSZACIVSA-N 0 1 376.298 3.462 20 0 GGADMN Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)cn1 ZINC000656190801 566882759 /nfs/dbraw/zinc/88/27/59/566882759.db2.gz FZOHNMLMGAZTTJ-DLBZAZTESA-N 0 1 375.266 3.453 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000632408355 566882869 /nfs/dbraw/zinc/88/28/69/566882869.db2.gz CPVLRCAMBPIHLA-UHFFFAOYSA-N 0 1 379.551 3.223 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000632408687 566883153 /nfs/dbraw/zinc/88/31/53/566883153.db2.gz QTAVLUDPZOTQDF-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)cn1C ZINC000490847533 566883177 /nfs/dbraw/zinc/88/31/77/566883177.db2.gz VAOBVXDOKHRXDZ-UHFFFAOYSA-N 0 1 387.617 3.186 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000632408411 566883401 /nfs/dbraw/zinc/88/34/01/566883401.db2.gz FJSWLTBXQWHSIZ-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN Cc1[nH+]ccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000563422882 566883538 /nfs/dbraw/zinc/88/35/38/566883538.db2.gz HXAMKLMAHBBPJY-UHFFFAOYSA-N 0 1 379.873 3.412 20 0 GGADMN CCN1CCCC[C@H]1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000518447073 566883746 /nfs/dbraw/zinc/88/37/46/566883746.db2.gz ONMSSFOOKLMSRO-INIZCTEOSA-N 0 1 393.325 3.040 20 0 GGADMN COc1ccc(Br)cc1CN[C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428852025 566883791 /nfs/dbraw/zinc/88/37/91/566883791.db2.gz SIFPYBZMNXMTKY-SJKOYZFVSA-N 0 1 377.282 3.205 20 0 GGADMN CCN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@H](C)CO ZINC000428850661 566883962 /nfs/dbraw/zinc/88/39/62/566883962.db2.gz PELFQTVBQLUZIM-SECBINFHSA-N 0 1 383.208 3.109 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000563442092 566883943 /nfs/dbraw/zinc/88/39/43/566883943.db2.gz NZDDDZZNXZISRJ-RYUDHWBXSA-N 0 1 382.917 3.335 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2ccc(C(F)(F)F)s2)s1 ZINC000428854740 566884214 /nfs/dbraw/zinc/88/42/14/566884214.db2.gz ASMFUXJXMHPKQX-UHFFFAOYSA-N 0 1 384.470 3.205 20 0 GGADMN Fc1cc2ncnc(NCc3n[nH]c([C@@H]4CCCO4)n3)c2cc1Br ZINC000656208267 566884079 /nfs/dbraw/zinc/88/40/79/566884079.db2.gz JOKGHASCFVNUKN-LBPRGKRZSA-N 0 1 393.220 3.113 20 0 GGADMN CC(C)(C)NC(=O)CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000518450332 566884551 /nfs/dbraw/zinc/88/45/51/566884551.db2.gz CTIAQLHVLMMSCX-UHFFFAOYSA-N 0 1 379.302 3.234 20 0 GGADMN Clc1ccc(Cc2nnc(NCc3n[nH]c([C@@H]4CCCO4)n3)s2)cc1 ZINC000656207757 566884733 /nfs/dbraw/zinc/88/47/33/566884733.db2.gz FYDRCWGYVDSKCU-LBPRGKRZSA-N 0 1 376.873 3.364 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCOc2ccc(F)cc2C1 ZINC000470577481 566884974 /nfs/dbraw/zinc/88/49/74/566884974.db2.gz AGOAIMSRZBYFQI-UHFFFAOYSA-N 0 1 390.212 3.499 20 0 GGADMN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000632443222 566885134 /nfs/dbraw/zinc/88/51/34/566885134.db2.gz FRRIZSDSXFAEJN-UHFFFAOYSA-N 0 1 381.889 3.089 20 0 GGADMN Fc1cc2ncnc(NCc3n[nH]c([C@H]4CCCO4)n3)c2cc1Br ZINC000656208264 566885295 /nfs/dbraw/zinc/88/52/95/566885295.db2.gz JOKGHASCFVNUKN-GFCCVEGCSA-N 0 1 393.220 3.113 20 0 GGADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000563454492 566885414 /nfs/dbraw/zinc/88/54/14/566885414.db2.gz LHZHIWUCIZHDOC-DOMZBBRYSA-N 0 1 385.245 3.019 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000563454400 566886309 /nfs/dbraw/zinc/88/63/09/566886309.db2.gz FIUUGJKQTQNYJV-MDZLAQPJSA-N 0 1 384.270 3.294 20 0 GGADMN Cn1ncc(NS(=O)(=O)c2cncc(Br)c2)c1-c1ccccc1 ZINC000582717648 566887483 /nfs/dbraw/zinc/88/74/83/566887483.db2.gz HHISAMPMZYWIJH-UHFFFAOYSA-N 0 1 393.266 3.045 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000518512314 566887863 /nfs/dbraw/zinc/88/78/63/566887863.db2.gz SCFNLXGKGWJWRP-BQFCYCMXSA-N 0 1 399.373 3.131 20 0 GGADMN Brc1c[nH]c(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2C2CC2)c1 ZINC000582731544 566888821 /nfs/dbraw/zinc/88/88/21/566888821.db2.gz KAPKYLJKJTYNJO-CQSZACIVSA-N 0 1 391.317 3.045 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCC(C)(C)c2cccc(Br)c2)n[nH]1 ZINC000491043187 566889677 /nfs/dbraw/zinc/88/96/77/566889677.db2.gz ZTHZLKFHTNTAMH-SNVBAGLBSA-N 0 1 380.290 3.214 20 0 GGADMN CC(=O)NC1CCN(Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656251251 566889560 /nfs/dbraw/zinc/88/95/60/566889560.db2.gz HWHAHDZGSKOKSG-UHFFFAOYSA-N 0 1 391.313 3.044 20 0 GGADMN O=C(NCc1ccnc(N2CCCC2)c1)c1cccc(Br)c1O ZINC000518543007 566889715 /nfs/dbraw/zinc/88/97/15/566889715.db2.gz WKSJUCIBLVTTMN-UHFFFAOYSA-N 0 1 376.254 3.080 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3Br)nc2C)[C@H]1OC ZINC000656255632 566890577 /nfs/dbraw/zinc/89/05/77/566890577.db2.gz LHJHRMLMVSRLMR-CGTJXYLNSA-N 0 1 394.313 3.225 20 0 GGADMN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(C(F)(F)F)no1 ZINC000632480353 566890634 /nfs/dbraw/zinc/89/06/34/566890634.db2.gz QDIZMBVFTXMTEZ-YFKPBYRVSA-N 0 1 390.170 3.435 20 0 GGADMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000470624760 566890778 /nfs/dbraw/zinc/89/07/78/566890778.db2.gz XXXAENMFYIVFNP-INIZCTEOSA-N 0 1 388.942 3.110 20 0 GGADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)s1 ZINC000680090185 566891068 /nfs/dbraw/zinc/89/10/68/566891068.db2.gz LDOHGKBYVZMRKV-XPTSAGLGSA-N 0 1 398.472 3.345 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nc2C)[C@H]1OC ZINC000656255638 566891225 /nfs/dbraw/zinc/89/12/25/566891225.db2.gz LHJHRMLMVSRLMR-KBAYOESNSA-N 0 1 394.313 3.225 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000582748240 566891726 /nfs/dbraw/zinc/89/17/26/566891726.db2.gz ZGLOGYRUZUATNQ-DNVCBOLYSA-N 0 1 378.925 3.280 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000518560137 566891795 /nfs/dbraw/zinc/89/17/95/566891795.db2.gz RSMTVQQAUMBFBV-SNVBAGLBSA-N 0 1 376.873 3.160 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(F)c1 ZINC000680094266 566892015 /nfs/dbraw/zinc/89/20/15/566892015.db2.gz LHMYQDNYNYOYEU-AWEZNQCLSA-N 0 1 382.379 3.184 20 0 GGADMN COCCO[C@H]1CCN(Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656259100 566892418 /nfs/dbraw/zinc/89/24/18/566892418.db2.gz ZVGYCKMXXAJSMC-SFHVURJKSA-N 0 1 394.313 3.181 20 0 GGADMN Cn1ccc([C@H](NC2CCC(S(C)(=O)=O)CC2)c2ccc(Cl)cc2)n1 ZINC000543604314 566892849 /nfs/dbraw/zinc/89/28/49/566892849.db2.gz XWKZPFWWGKCULP-LEOMRAHMSA-N 0 1 381.929 3.108 20 0 GGADMN Cc1nc(CN(Cc2ccc(C)cc2Br)C[C@H]2CCCO2)n[nH]1 ZINC000428971566 566893075 /nfs/dbraw/zinc/89/30/75/566893075.db2.gz WMOFAMVIJHNXLP-OAHLLOKOSA-N 0 1 379.302 3.365 20 0 GGADMN Cc1nc(CN(Cc2ccc(C)cc2Br)C[C@@H]2CCCO2)n[nH]1 ZINC000428971565 566893136 /nfs/dbraw/zinc/89/31/36/566893136.db2.gz WMOFAMVIJHNXLP-HNNXBMFYSA-N 0 1 379.302 3.365 20 0 GGADMN COCCCOCCN(C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656256448 566893381 /nfs/dbraw/zinc/89/33/81/566893381.db2.gz ZWVHYCRFMVUQFE-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN O=C1NCCc2ccc(CNCC3=Cc4cc(Br)ccc4OC3)cc21 ZINC000543620064 566893687 /nfs/dbraw/zinc/89/36/87/566893687.db2.gz SCUWNKMDFARKAU-UHFFFAOYSA-N 0 1 399.288 3.301 20 0 GGADMN Cc1cc(NC(=O)CN(Cc2ccc(Br)cc2)C(C)C)n(C)n1 ZINC000518594586 566893559 /nfs/dbraw/zinc/89/35/59/566893559.db2.gz PCIVSPLHYNCNSG-UHFFFAOYSA-N 0 1 379.302 3.340 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000470677439 566894185 /nfs/dbraw/zinc/89/41/85/566894185.db2.gz JDKPRFCNFVQNES-LLVKDONJSA-N 0 1 375.332 3.430 20 0 GGADMN Cn1c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)nc2cccnc21 ZINC000470690500 566894437 /nfs/dbraw/zinc/89/44/37/566894437.db2.gz RRMRSGUBXNGJTG-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN COC(=O)c1coc(CN[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000543634442 566894387 /nfs/dbraw/zinc/89/43/87/566894387.db2.gz BNBJIWFAOBCQIZ-ZDUSSCGKSA-N 0 1 379.254 3.197 20 0 GGADMN COC(=O)c1coc(CN[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000543634441 566895137 /nfs/dbraw/zinc/89/51/37/566895137.db2.gz BNBJIWFAOBCQIZ-CYBMUJFWSA-N 0 1 379.254 3.197 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(Cc3cc(Br)c4c(c3)OCCO4)C2)n1 ZINC000543621608 566895352 /nfs/dbraw/zinc/89/53/52/566895352.db2.gz WKPZKOMODQOGSM-CYBMUJFWSA-N 0 1 393.285 3.026 20 0 GGADMN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1oc2ccccc2c1Br ZINC000656262427 566895385 /nfs/dbraw/zinc/89/53/85/566895385.db2.gz VDYKXBJOQPTEAP-KBPBESRZSA-N 0 1 379.298 3.490 20 0 GGADMN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1oc2ccccc2c1Br ZINC000656262429 566895854 /nfs/dbraw/zinc/89/58/54/566895854.db2.gz VDYKXBJOQPTEAP-UONOGXRCSA-N 0 1 379.298 3.490 20 0 GGADMN CN1C(=O)NCC12CCN(Cc1oc3ccccc3c1Br)CC2 ZINC000656264760 566895910 /nfs/dbraw/zinc/89/59/10/566895910.db2.gz RHYRBXFLDCGIAI-UHFFFAOYSA-N 0 1 378.270 3.185 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000582817450 566896460 /nfs/dbraw/zinc/89/64/60/566896460.db2.gz QFICKEHGRCNQCP-AWEZNQCLSA-N 0 1 393.329 3.225 20 0 GGADMN O=C(CCc1c[nH]nn1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000632592738 566896621 /nfs/dbraw/zinc/89/66/21/566896621.db2.gz YYOWRNRYQRGAAR-OAHLLOKOSA-N 0 1 381.249 3.297 20 0 GGADMN O=C(CCc1cnn[nH]1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000632592738 566896626 /nfs/dbraw/zinc/89/66/26/566896626.db2.gz YYOWRNRYQRGAAR-OAHLLOKOSA-N 0 1 381.249 3.297 20 0 GGADMN Cc1cc(I)ccc1NC(=O)CN1CC[C@H](C2CC2)C1 ZINC000491205778 566897654 /nfs/dbraw/zinc/89/76/54/566897654.db2.gz BBDJNVWUDJZZAT-ZDUSSCGKSA-N 0 1 384.261 3.270 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)c1cc(Br)sc1Br ZINC000582844312 566898521 /nfs/dbraw/zinc/89/85/21/566898521.db2.gz GVILQOJRDMBXJX-MRVPVSSYSA-N 0 1 396.148 3.487 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2C(F)(F)F)cn1 ZINC000582864886 566899803 /nfs/dbraw/zinc/89/98/03/566899803.db2.gz DSEVPTCPVZIDBJ-UHFFFAOYSA-N 0 1 376.356 3.309 20 0 GGADMN COC(=O)c1cccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429021809 566901336 /nfs/dbraw/zinc/90/13/36/566901336.db2.gz QNENIKCULMPNOD-MRXNPFEDSA-N 0 1 382.229 3.198 20 0 GGADMN C[C@@H]1CSCCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000582872931 566901720 /nfs/dbraw/zinc/90/17/20/566901720.db2.gz JTMOAHAEQSOINC-ZYHUDNBSSA-N 0 1 380.735 3.280 20 0 GGADMN C[C@@H]1CSCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000582872930 566902219 /nfs/dbraw/zinc/90/22/19/566902219.db2.gz JTMOAHAEQSOINC-PWSUYJOCSA-N 0 1 380.735 3.280 20 0 GGADMN CCn1cc([C@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)cn1 ZINC000451897912 566902834 /nfs/dbraw/zinc/90/28/34/566902834.db2.gz UOASMXJMPAXUNC-NSHDSACASA-N 0 1 385.331 3.036 20 0 GGADMN C[C@](CO)(NC[C@@H](O)COc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451888992 566903396 /nfs/dbraw/zinc/90/33/96/566903396.db2.gz LSWOZVCCSCILTA-SJLPKXTDSA-N 0 1 388.266 3.370 20 0 GGADMN CN1C(=O)N(Cc2n[nH]c(C3CC3)n2)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000563654480 566903909 /nfs/dbraw/zinc/90/39/09/566903909.db2.gz KAXIXTFTZXNWBV-ZDUSSCGKSA-N 0 1 380.235 3.124 20 0 GGADMN O=C1[C@@H](N2CCOC[C@H](C3CCC3)C2)CCN1c1cccc(Br)c1 ZINC000429039006 566904193 /nfs/dbraw/zinc/90/41/93/566904193.db2.gz YJKXMSYIBPEHEH-QAPCUYQASA-N 0 1 393.325 3.303 20 0 GGADMN Cc1cc([C@@H](NCCCNS(C)(=O)=O)c2ccccc2Cl)ccc1F ZINC000491357412 566904147 /nfs/dbraw/zinc/90/41/47/566904147.db2.gz YZVPZWYULNBSJU-GOSISDBHSA-N 0 1 384.904 3.406 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000543706487 566904245 /nfs/dbraw/zinc/90/42/45/566904245.db2.gz DAIQBJLJFKTEMS-BZZMCLGOSA-N 0 1 392.341 3.431 20 0 GGADMN OC[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(Br)c(F)c1 ZINC000429038581 566904576 /nfs/dbraw/zinc/90/45/76/566904576.db2.gz XGDYZCVCVFYIJR-LLVKDONJSA-N 0 1 392.162 3.128 20 0 GGADMN Cc1cc([C@H](NCCCNS(C)(=O)=O)c2ccccc2Cl)ccc1F ZINC000491357413 566904606 /nfs/dbraw/zinc/90/46/06/566904606.db2.gz YZVPZWYULNBSJU-SFHVURJKSA-N 0 1 384.904 3.406 20 0 GGADMN Ic1cccc(N[C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000563665492 566905526 /nfs/dbraw/zinc/90/55/26/566905526.db2.gz DMEVKEOCCXVOBN-ZDUSSCGKSA-N 0 1 377.189 3.006 20 0 GGADMN Cc1nc(NC(=O)c2cccc3[nH]ncc32)ccc1I ZINC000429037312 566905499 /nfs/dbraw/zinc/90/54/99/566905499.db2.gz WXAJOGXJRUARNY-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN O=[S@](CCN1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000518839825 566905674 /nfs/dbraw/zinc/90/56/74/566905674.db2.gz VJZVVEATGFUXRH-JOCHJYFZSA-N 0 1 382.327 3.090 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCCNc1cccc(Br)c1 ZINC000491479753 566906535 /nfs/dbraw/zinc/90/65/35/566906535.db2.gz CSYODNNVPGIKNS-UHFFFAOYSA-N 0 1 382.327 3.414 20 0 GGADMN CO[C@@H]1Cc2ccccc2N(C([O-])=[NH+]c2ccnc(C)c2Br)C1 ZINC000563686625 566907314 /nfs/dbraw/zinc/90/73/14/566907314.db2.gz CZMWQGTUCJEGIQ-CYBMUJFWSA-N 0 1 376.254 3.184 20 0 GGADMN CCCCOCCN(C(=O)CCc1nc[nH]n1)c1cccc(Br)c1 ZINC000429087696 566907686 /nfs/dbraw/zinc/90/76/86/566907686.db2.gz LNUDQFJKBYFSCN-UHFFFAOYSA-N 0 1 395.301 3.350 20 0 GGADMN CS(=O)(=O)CCCN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680432707 566908586 /nfs/dbraw/zinc/90/85/86/566908586.db2.gz KCZGXDRJVALAKU-LBPRGKRZSA-N 0 1 388.249 3.467 20 0 GGADMN CN(C(=O)CCc1nc[nH]n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000429098756 566908454 /nfs/dbraw/zinc/90/84/54/566908454.db2.gz ARLYHRXVKYVNJP-LBPRGKRZSA-N 0 1 381.299 3.195 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000491593729 566912004 /nfs/dbraw/zinc/91/20/04/566912004.db2.gz IYGCZVITVWEKDL-OTYXRUKQSA-N 0 1 382.835 3.120 20 0 GGADMN OCC[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1Br ZINC000543808505 566912543 /nfs/dbraw/zinc/91/25/43/566912543.db2.gz TZYCNJKOVIPBTE-VQIMIIECSA-N 0 1 394.309 3.040 20 0 GGADMN COc1ccc2c(c1)CC[C@@H](NCc1c(Cl)cccc1S(C)(=O)=O)C2 ZINC000680495521 566912487 /nfs/dbraw/zinc/91/24/87/566912487.db2.gz MOTRWKTVTIJPOC-OAHLLOKOSA-N 0 1 379.909 3.399 20 0 GGADMN CN(Cc1cc(Br)ccc1Cl)c1cc(-n2cccn2)nc(N)n1 ZINC000491654991 566912745 /nfs/dbraw/zinc/91/27/45/566912745.db2.gz GVEJFEYNBWLPEB-UHFFFAOYSA-N 0 1 393.676 3.127 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000518992838 566914060 /nfs/dbraw/zinc/91/40/60/566914060.db2.gz FYSMMFHGJGUJRU-HUUCEWRRSA-N 0 1 390.285 3.491 20 0 GGADMN O=C(NCCN1CCC1)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680521142 566914161 /nfs/dbraw/zinc/91/41/61/566914161.db2.gz XJRQFZQGSOGIAB-ZDUSSCGKSA-N 0 1 394.235 3.448 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)s1 ZINC000680504804 566914379 /nfs/dbraw/zinc/91/43/79/566914379.db2.gz XHVBCXFUSGNYJC-VIFPVBQESA-N 0 1 387.449 3.055 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@@H](C2CCCCC2)C(F)(F)F)s1 ZINC000680504838 566914553 /nfs/dbraw/zinc/91/45/53/566914553.db2.gz XRGHORHSSCUISD-NSHDSACASA-N 0 1 399.460 3.199 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000518992143 566915011 /nfs/dbraw/zinc/91/50/11/566915011.db2.gz JXASRIRIMAKUEZ-UHFFFAOYSA-N 0 1 399.208 3.265 20 0 GGADMN Cc1ccccc1[C@H](CO)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000543840972 566916814 /nfs/dbraw/zinc/91/68/14/566916814.db2.gz YSFNAQROVVSQCY-KRWDZBQOSA-N 0 1 377.282 3.328 20 0 GGADMN CN(Cc1coc(-c2ccc(I)cc2)n1)C1(CO)CCC1 ZINC000429258146 566917284 /nfs/dbraw/zinc/91/72/84/566917284.db2.gz GHWRUGGFRHAYBH-UHFFFAOYSA-N 0 1 398.244 3.293 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000491835952 566917592 /nfs/dbraw/zinc/91/75/92/566917592.db2.gz UPOKXERTWUBGFI-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CCC1=O ZINC000491826314 566917779 /nfs/dbraw/zinc/91/77/79/566917779.db2.gz XYEKUBPVHQVDAS-HOCLYGCPSA-N 0 1 395.341 3.345 20 0 GGADMN Cc1cccc(O)c1NS(=O)(=O)c1ccc(I)cc1 ZINC000611466075 566917869 /nfs/dbraw/zinc/91/78/69/566917869.db2.gz RXCXRCJUTODQTO-UHFFFAOYSA-N 0 1 389.214 3.106 20 0 GGADMN COc1cc(Br)ccc1CCCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000470959707 566918132 /nfs/dbraw/zinc/91/81/32/566918132.db2.gz MZDSIOWNZJECPD-RDTXWAMCSA-N 0 1 384.314 3.270 20 0 GGADMN C[C@H](NC(=O)CN1CCOC[C@@H](C2CCC2)C1)c1ccc(Br)cc1 ZINC000429266065 566918293 /nfs/dbraw/zinc/91/82/93/566918293.db2.gz RUAHCFRJQIMWAX-YOEHRIQHSA-N 0 1 395.341 3.375 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000543863808 566918357 /nfs/dbraw/zinc/91/83/57/566918357.db2.gz CUBHHXQAKXDCBW-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCOC[C@H](C2CCC2)C1 ZINC000429266477 566918969 /nfs/dbraw/zinc/91/89/69/566918969.db2.gz XDJDTBXRTINHET-QGZVFWFLSA-N 0 1 395.341 3.156 20 0 GGADMN C[C@H](NC(=O)CN1CCOC[C@H](C2CCC2)C1)c1ccc(Br)cc1 ZINC000429266064 566919275 /nfs/dbraw/zinc/91/92/75/566919275.db2.gz RUAHCFRJQIMWAX-WMLDXEAASA-N 0 1 395.341 3.375 20 0 GGADMN CCC[C@@H](NC(=O)c1oc2c(cccc2Br)c1C)c1nn[nH]n1 ZINC000543885157 566919931 /nfs/dbraw/zinc/91/99/31/566919931.db2.gz VBQRUMIXPRZHFD-LLVKDONJSA-N 0 1 378.230 3.288 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000632881894 566920479 /nfs/dbraw/zinc/92/04/79/566920479.db2.gz LRMYOVHQYWMFFL-UHFFFAOYSA-N 0 1 377.286 3.080 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000632881894 566920485 /nfs/dbraw/zinc/92/04/85/566920485.db2.gz LRMYOVHQYWMFFL-UHFFFAOYSA-N 0 1 377.286 3.080 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000492022275 566921119 /nfs/dbraw/zinc/92/11/19/566921119.db2.gz OHMZMJPBFSGZAW-UHFFFAOYSA-N 0 1 392.179 3.259 20 0 GGADMN CN(CC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@H]1CCSC1 ZINC000492013524 566921608 /nfs/dbraw/zinc/92/16/08/566921608.db2.gz KRZFDEBCEBXFDC-CABCVRRESA-N 0 1 379.595 3.165 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2c3ccccc3O[C@H]2C)sc1Br ZINC000519128446 566922344 /nfs/dbraw/zinc/92/23/44/566922344.db2.gz SYCATKRDCUMZAA-KWQFWETISA-N 0 1 389.296 3.015 20 0 GGADMN Oc1cccc2c1C[C@@H](NCc1cc3c(cc1Br)OCCO3)C2 ZINC000429302766 566922531 /nfs/dbraw/zinc/92/25/31/566922531.db2.gz BMYRLDWXOKTFGS-ZDUSSCGKSA-N 0 1 376.250 3.183 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)C[C@H](OC)C2CCCC2)cc1Cl ZINC000656615055 566922630 /nfs/dbraw/zinc/92/26/30/566922630.db2.gz XMUHSOZOVWHKNQ-INIZCTEOSA-N 0 1 377.890 3.304 20 0 GGADMN COCCOc1cccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492102763 566923107 /nfs/dbraw/zinc/92/31/07/566923107.db2.gz GHWHHNXEWBSLPU-SFHVURJKSA-N 0 1 398.272 3.437 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)s1 ZINC000680624835 566923365 /nfs/dbraw/zinc/92/33/65/566923365.db2.gz HKYDDFABNUVNCJ-SNVBAGLBSA-N 0 1 398.472 3.489 20 0 GGADMN COCCOc1cccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492102762 566923375 /nfs/dbraw/zinc/92/33/75/566923375.db2.gz GHWHHNXEWBSLPU-GOSISDBHSA-N 0 1 398.272 3.437 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccccc2Br)C[C@H](C)O1 ZINC000519141167 566924098 /nfs/dbraw/zinc/92/40/98/566924098.db2.gz PPVJYCLVFFVNIC-HLLBOEOZSA-N 0 1 395.341 3.092 20 0 GGADMN C[C@@H](c1ccccc1Cl)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000452025686 566924261 /nfs/dbraw/zinc/92/42/61/566924261.db2.gz XHEHALJOHWWFGD-LBPRGKRZSA-N 0 1 386.876 3.198 20 0 GGADMN COC(=O)[C@@H](O)C1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000429337468 566924198 /nfs/dbraw/zinc/92/41/98/566924198.db2.gz UKNVAQYJTLQQNA-SFHVURJKSA-N 0 1 392.293 3.348 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)CCc1ccc(F)cc1 ZINC000656618007 566924515 /nfs/dbraw/zinc/92/45/15/566924515.db2.gz AABARACRCFCNML-UHFFFAOYSA-N 0 1 387.860 3.489 20 0 GGADMN CCSc1ccc(Cl)cc1NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656620406 566924526 /nfs/dbraw/zinc/92/45/26/566924526.db2.gz BTXRGMLPNRCUNC-RISCZKNCSA-N 0 1 379.931 3.245 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCC(NCc2cocn2)CC1 ZINC000680636693 566925080 /nfs/dbraw/zinc/92/50/80/566925080.db2.gz OSLRCVLMGVLEBX-UHFFFAOYSA-N 0 1 378.270 3.140 20 0 GGADMN CCSc1ccc(Cl)cc1NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656620404 566925259 /nfs/dbraw/zinc/92/52/59/566925259.db2.gz BTXRGMLPNRCUNC-BXUZGUMPSA-N 0 1 379.931 3.245 20 0 GGADMN O=S(=O)(NCc1ccc(OCC2CC2)nc1)c1c(Cl)ccc(F)c1F ZINC000583147116 566925432 /nfs/dbraw/zinc/92/54/32/566925432.db2.gz JEGLHFJWKITDPS-UHFFFAOYSA-N 0 1 388.823 3.281 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(F)cc1OCC(F)F)C1CCCC1 ZINC000656626548 566926693 /nfs/dbraw/zinc/92/66/93/566926693.db2.gz LTYLPZFJGYTMKM-OAHLLOKOSA-N 0 1 381.416 3.417 20 0 GGADMN CN1CCN(C)[C@@H](CN[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000492178281 566926825 /nfs/dbraw/zinc/92/68/25/566926825.db2.gz LERQPNVGOISAAI-PXNSSMCTSA-N 0 1 388.353 3.374 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000563881538 566926769 /nfs/dbraw/zinc/92/67/69/566926769.db2.gz AOAATNYERSNAJF-JSGCOSHPSA-N 0 1 377.286 3.152 20 0 GGADMN Cn1cc(Cc2noc(-c3[nH]nc(-c4ccccc4)c3Br)n2)cn1 ZINC000680720602 566927482 /nfs/dbraw/zinc/92/74/82/566927482.db2.gz KFLGFRPFCDOEOM-UHFFFAOYSA-N 0 1 385.225 3.214 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2nc3ccc(Br)cc3n2C)[C@H]1C(C)C ZINC000429367357 566927435 /nfs/dbraw/zinc/92/74/35/566927435.db2.gz SUNOCCUYJYKQMZ-GUYCJALGSA-N 0 1 394.313 3.355 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1 ZINC000519217507 566927585 /nfs/dbraw/zinc/92/75/85/566927585.db2.gz LZNYEZVAJDSHAT-UHFFFAOYSA-N 0 1 378.347 3.470 20 0 GGADMN CSc1cc(Cl)ccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000656632785 566928539 /nfs/dbraw/zinc/92/85/39/566928539.db2.gz ISZWFNVGSNFVTQ-UHFFFAOYSA-N 0 1 399.925 3.427 20 0 GGADMN CC(=O)[C@H](NC(=O)CN[C@@H]1c2cccc(Br)c2CC1(C)C)C(C)C ZINC000429411093 566929013 /nfs/dbraw/zinc/92/90/13/566929013.db2.gz SSKKOJSDVRGLIH-QZTJIDSGSA-N 0 1 395.341 3.392 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NC(C)=O)cc1 ZINC000519265292 566929089 /nfs/dbraw/zinc/92/90/89/566929089.db2.gz MZSQPBZCVWMWAT-UHFFFAOYSA-N 0 1 381.841 3.058 20 0 GGADMN COC(=O)[C@@H]1CCCCCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000611575568 566929073 /nfs/dbraw/zinc/92/90/73/566929073.db2.gz NLCXNQKPWSLXDR-HNNXBMFYSA-N 0 1 383.286 3.195 20 0 GGADMN CCOC(=O)CN(CCC(=O)Nc1ccc(Br)cc1)CC(C)C ZINC000519272093 566929279 /nfs/dbraw/zinc/92/92/79/566929279.db2.gz KVGFNEVTNLBNNI-UHFFFAOYSA-N 0 1 385.302 3.299 20 0 GGADMN CCCOc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000471112952 566929381 /nfs/dbraw/zinc/92/93/81/566929381.db2.gz MYFDYFOEPHYJLH-UHFFFAOYSA-N 0 1 383.491 3.070 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H]2c3cccc(Br)c3CC2(C)C)no1 ZINC000429411351 566929526 /nfs/dbraw/zinc/92/95/26/566929526.db2.gz VFMQMCUECDGJDC-MRXNPFEDSA-N 0 1 378.270 3.019 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2cccc(Br)c2F)c1 ZINC000656637932 566929851 /nfs/dbraw/zinc/92/98/51/566929851.db2.gz QKWDIUQNBWQLKT-UHFFFAOYSA-N 0 1 376.251 3.242 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C[C@@H](C)N1 ZINC000429414995 566929744 /nfs/dbraw/zinc/92/97/44/566929744.db2.gz CQKBXMJIFDJRPP-GHMZBOCLSA-N 0 1 381.263 3.398 20 0 GGADMN NC(=O)c1ccc(CN[C@@H]2CCc3c2cc(Cl)cc3Br)cn1 ZINC000583216914 566929895 /nfs/dbraw/zinc/92/98/95/566929895.db2.gz HXEARKKUQIDJQR-CQSZACIVSA-N 0 1 380.673 3.374 20 0 GGADMN CN(C)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000563943779 566929899 /nfs/dbraw/zinc/92/98/99/566929899.db2.gz CCINMHJGTXVDFE-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN CC(C)c1nnc(CCNCc2ncc(I)s2)s1 ZINC000492237092 566930012 /nfs/dbraw/zinc/93/00/12/566930012.db2.gz ABYCATIONZUBFX-UHFFFAOYSA-N 0 1 394.307 3.055 20 0 GGADMN COc1cc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc(OC)c1 ZINC000492257094 566930046 /nfs/dbraw/zinc/93/00/46/566930046.db2.gz JQOIQJDMUAVHJU-QGZVFWFLSA-N 0 1 384.245 3.429 20 0 GGADMN COCCOc1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492271609 566930129 /nfs/dbraw/zinc/93/01/29/566930129.db2.gz GPMIIDONLSUVFO-GOSISDBHSA-N 0 1 398.272 3.437 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cncc(Br)c2)c1 ZINC000583213952 566930914 /nfs/dbraw/zinc/93/09/14/566930914.db2.gz ACANCMNFQQTTNB-RYUDHWBXSA-N 0 1 398.326 3.164 20 0 GGADMN COC(=O)C[C@@H](NC(=O)c1cccc(Br)c1O)c1ccc(F)cc1 ZINC000519311849 566931164 /nfs/dbraw/zinc/93/11/64/566931164.db2.gz KXIHJXUHJXFMKO-CQSZACIVSA-N 0 1 396.212 3.328 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000544035147 566931181 /nfs/dbraw/zinc/93/11/81/566931181.db2.gz ZKDAFBKKWRYXHX-KSSFIOAISA-N 0 1 395.341 3.375 20 0 GGADMN Cc1ccc2nc(C[NH2+]C[C@@H](O)COc3cccc(Br)c3)[nH]c2c1 ZINC000563952543 566931881 /nfs/dbraw/zinc/93/18/81/566931881.db2.gz KQYYKLHBXUDSOO-CQSZACIVSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc2[nH]c(CNC[C@@H](O)COc3cccc(Br)c3)nc2c1 ZINC000563952543 566931887 /nfs/dbraw/zinc/93/18/87/566931887.db2.gz KQYYKLHBXUDSOO-CQSZACIVSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc2nc(CNC[C@@H](O)COc3cccc(Br)c3)[nH]c2c1 ZINC000563952543 566931896 /nfs/dbraw/zinc/93/18/96/566931896.db2.gz KQYYKLHBXUDSOO-CQSZACIVSA-N 0 1 390.281 3.163 20 0 GGADMN O=C(NCC[N@H+]1CCCOCC1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000583237370 566932114 /nfs/dbraw/zinc/93/21/14/566932114.db2.gz PLYIYWNACMKDRT-KRWDZBQOSA-N 0 1 386.323 3.466 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000583237370 566932123 /nfs/dbraw/zinc/93/21/23/566932123.db2.gz PLYIYWNACMKDRT-KRWDZBQOSA-N 0 1 386.323 3.466 20 0 GGADMN CNC(=O)[C@H](C)NCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000492374713 566933590 /nfs/dbraw/zinc/93/35/90/566933590.db2.gz IAUPKMGMFRYXKQ-ZDUSSCGKSA-N 0 1 377.282 3.252 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCN(c2ncccc2Cl)CC1 ZINC000519336250 566933939 /nfs/dbraw/zinc/93/39/39/566933939.db2.gz ZNTDHZCHVCXDAX-UHFFFAOYSA-N 0 1 396.672 3.166 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000519334801 566933963 /nfs/dbraw/zinc/93/39/63/566933963.db2.gz LHYYJZCDPULXNS-QWHCGFSZSA-N 0 1 397.313 3.312 20 0 GGADMN O=S(=O)(NCCN1CCc2sccc2C1)c1c(Cl)ccc(F)c1F ZINC000563979892 566934046 /nfs/dbraw/zinc/93/40/46/566934046.db2.gz ZGIFQWXHJGHDTB-UHFFFAOYSA-N 0 1 392.880 3.016 20 0 GGADMN O=C(NCCN[C@@H]1CCc2c1c(F)ccc2F)c1ccc(Br)cn1 ZINC000656680287 566934444 /nfs/dbraw/zinc/93/44/44/566934444.db2.gz VZCAJDBYUAVCTF-CQSZACIVSA-N 0 1 396.235 3.129 20 0 GGADMN CC(C)N(CC(=O)NCC(=O)OC(C)(C)C)Cc1cccc(Br)c1 ZINC000544069977 566934546 /nfs/dbraw/zinc/93/45/46/566934546.db2.gz YDUOSEPYNUBZQJ-UHFFFAOYSA-N 0 1 399.329 3.117 20 0 GGADMN CN(CCCNC(=O)C1CCC1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000429536785 566934677 /nfs/dbraw/zinc/93/46/77/566934677.db2.gz CMBOFETWQUESOA-XMMPIXPASA-N 0 1 391.364 3.339 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCNC(=O)C1CCC1 ZINC000429542294 566934780 /nfs/dbraw/zinc/93/47/80/566934780.db2.gz RMNDMTVLMSEBDG-ZDUSSCGKSA-N 0 1 396.329 3.014 20 0 GGADMN CN(CCCNC(=O)C1CCC1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000429536783 566934809 /nfs/dbraw/zinc/93/48/09/566934809.db2.gz CMBOFETWQUESOA-DEOSSOPVSA-N 0 1 391.364 3.339 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000452098172 566934895 /nfs/dbraw/zinc/93/48/95/566934895.db2.gz ABTXJJVEEOBYSO-LLVKDONJSA-N 0 1 384.851 3.462 20 0 GGADMN CCOC(=O)C1(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC1 ZINC000583265664 566935042 /nfs/dbraw/zinc/93/50/42/566935042.db2.gz PVBABYGKGGIYQX-UHFFFAOYSA-N 0 1 394.269 3.065 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N(C)Cc2ccc(Br)cc2F)n[nH]1 ZINC000633130105 566935423 /nfs/dbraw/zinc/93/54/23/566935423.db2.gz DWQMPURSBHMKGF-JTQLQIEISA-N 0 1 383.265 3.392 20 0 GGADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000519373939 566935750 /nfs/dbraw/zinc/93/57/50/566935750.db2.gz ICRVPLSZOQUARI-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cncc(Br)c1 ZINC000583274476 566935839 /nfs/dbraw/zinc/93/58/39/566935839.db2.gz DAAHXRPXDXBAOR-GUYCJALGSA-N 0 1 389.297 3.081 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000563998764 566936099 /nfs/dbraw/zinc/93/60/99/566936099.db2.gz MNUGFLDEMKTOJC-ZDUSSCGKSA-N 0 1 376.925 3.361 20 0 GGADMN C[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1cncc(Br)c1 ZINC000583274683 566936113 /nfs/dbraw/zinc/93/61/13/566936113.db2.gz KWSRCBYGKXXWMT-LRDDRELGSA-N 0 1 390.281 3.135 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000452104285 566936559 /nfs/dbraw/zinc/93/65/59/566936559.db2.gz LPCDFEHEUXVULO-LBPRGKRZSA-N 0 1 384.851 3.462 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000452104282 566936851 /nfs/dbraw/zinc/93/68/51/566936851.db2.gz LPCDFEHEUXVULO-GFCCVEGCSA-N 0 1 384.851 3.462 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000452105006 566937379 /nfs/dbraw/zinc/93/73/79/566937379.db2.gz NDGNBAZLKZATEB-LLVKDONJSA-N 0 1 395.750 3.206 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000656729278 566938603 /nfs/dbraw/zinc/93/86/03/566938603.db2.gz UZDWILGANPOKHA-CYBMUJFWSA-N 0 1 377.304 3.181 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000544106125 566938695 /nfs/dbraw/zinc/93/86/95/566938695.db2.gz YUQUNNIXNMKDLV-GFCCVEGCSA-N 0 1 380.274 3.248 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1cc(C)c(Br)cn1)C1CCCC1 ZINC000656726810 566939017 /nfs/dbraw/zinc/93/90/17/566939017.db2.gz CUIWDRVJBREBNX-CYBMUJFWSA-N 0 1 377.304 3.099 20 0 GGADMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000583315528 566939269 /nfs/dbraw/zinc/93/92/69/566939269.db2.gz GYCIUBAMLDZJGZ-CQSZACIVSA-N 0 1 385.942 3.178 20 0 GGADMN Cc1nn(C)c(CNC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1Br ZINC000564040249 566939215 /nfs/dbraw/zinc/93/92/15/566939215.db2.gz HFVLKXKDCJURPO-KBXCAEBGSA-N 0 1 380.330 3.210 20 0 GGADMN CC(C)CN1CCN(C(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000492894777 566939324 /nfs/dbraw/zinc/93/93/24/566939324.db2.gz RZDWGINIGUFLHZ-UHFFFAOYSA-N 0 1 381.314 3.188 20 0 GGADMN Cc1cc(C(=O)N=c2ncn(Cc3cccc(Br)c3)[nH]2)sc1C ZINC000492887047 566939378 /nfs/dbraw/zinc/93/93/78/566939378.db2.gz AQCDXDLTQSSZLH-UHFFFAOYSA-N 0 1 391.294 3.441 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000656729279 566939478 /nfs/dbraw/zinc/93/94/78/566939478.db2.gz UZDWILGANPOKHA-ZDUSSCGKSA-N 0 1 377.304 3.181 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000544117515 566940223 /nfs/dbraw/zinc/94/02/23/566940223.db2.gz NDICAZVUQMKXDT-KVQFHVITSA-N 0 1 376.806 3.389 20 0 GGADMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000583327940 566941233 /nfs/dbraw/zinc/94/12/33/566941233.db2.gz LTHGVXGMAMWRJD-GOSISDBHSA-N 0 1 393.281 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000544117514 566941333 /nfs/dbraw/zinc/94/13/33/566941333.db2.gz NDICAZVUQMKXDT-HMDURAKOSA-N 0 1 376.806 3.389 20 0 GGADMN C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000452127448 566941629 /nfs/dbraw/zinc/94/16/29/566941629.db2.gz SIEJJZVIBLIVOA-RWSFTLGLSA-N 0 1 385.277 3.096 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Br)cc2c1OCC2 ZINC000583348722 566942374 /nfs/dbraw/zinc/94/23/74/566942374.db2.gz CJPKXKUCIRABOL-INIZCTEOSA-N 0 1 381.314 3.265 20 0 GGADMN Cc1cc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(Br)s1 ZINC000471283438 566942815 /nfs/dbraw/zinc/94/28/15/566942815.db2.gz POXKASJCYSUJCB-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN COc1cc2c(cc1NS(=O)(=O)c1ccc(F)c(Cl)c1)NC(=O)CC2 ZINC000680970586 566943183 /nfs/dbraw/zinc/94/31/83/566943183.db2.gz NMQAXWFIEFEAOQ-UHFFFAOYSA-N 0 1 384.816 3.173 20 0 GGADMN CC(C)(CNC(=O)CCc1c[nH]nn1)c1ccc(Br)cc1Cl ZINC000633208010 566943469 /nfs/dbraw/zinc/94/34/69/566943469.db2.gz QBXGKOXYNWZXQM-UHFFFAOYSA-N 0 1 385.693 3.247 20 0 GGADMN CC(C)(CNC(=O)CCc1cnn[nH]1)c1ccc(Br)cc1Cl ZINC000633208010 566943475 /nfs/dbraw/zinc/94/34/75/566943475.db2.gz QBXGKOXYNWZXQM-UHFFFAOYSA-N 0 1 385.693 3.247 20 0 GGADMN CCN(C)[C@H](C(=O)NCCCCn1cc(Br)cn1)c1ccccc1 ZINC000471283071 566943525 /nfs/dbraw/zinc/94/35/25/566943525.db2.gz NKLCQRJRUYZSPV-KRWDZBQOSA-N 0 1 393.329 3.235 20 0 GGADMN CCc1cc(Br)c(C)nc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000656737321 566944853 /nfs/dbraw/zinc/94/48/53/566944853.db2.gz ASMSXOIXYNQDNS-CYBMUJFWSA-N 0 1 379.320 3.128 20 0 GGADMN Cc1ccncc1[C@H](C)NCC(=O)Nc1cccc(I)c1 ZINC000611939260 566945171 /nfs/dbraw/zinc/94/51/71/566945171.db2.gz QDFVTBDUJWBKML-LBPRGKRZSA-N 0 1 395.244 3.284 20 0 GGADMN CCOC(=O)c1ccc(N2CC(NCc3csc(Br)c3)C2)nc1 ZINC000544174717 566945392 /nfs/dbraw/zinc/94/53/92/566945392.db2.gz BDRLUTBVMSRKTN-UHFFFAOYSA-N 0 1 396.310 3.061 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000564106209 566945683 /nfs/dbraw/zinc/94/56/83/566945683.db2.gz UEROHUIKUXKZEB-RHSMWYFYSA-N 0 1 398.345 3.166 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CNCc1cccc(Br)c1OC(F)F ZINC000544181695 566946427 /nfs/dbraw/zinc/94/64/27/566946427.db2.gz NELHGHORUMXBMJ-LLVKDONJSA-N 0 1 398.269 3.107 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cc(Br)cc2cccnc21)C[C@H]1CCCO1 ZINC000519547808 566946608 /nfs/dbraw/zinc/94/66/08/566946608.db2.gz MSXCUHKOFIWYIE-MRXNPFEDSA-N 0 1 393.281 3.453 20 0 GGADMN O[C@@H](CN[C@@H]1COCc2ccccc21)COc1ccc(Br)cc1 ZINC000583377030 566946756 /nfs/dbraw/zinc/94/67/56/566946756.db2.gz UNCOFYXRLOUUSN-MAUKXSAKSA-N 0 1 378.266 3.050 20 0 GGADMN CCn1ncc(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000656741724 566947073 /nfs/dbraw/zinc/94/70/73/566947073.db2.gz VEURVUYBZATPJL-UHFFFAOYSA-N 0 1 376.251 3.222 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2cnc(C3CCC3)s2)C1 ZINC000564116584 566947304 /nfs/dbraw/zinc/94/73/04/566947304.db2.gz CZOAWOIUJNKVJH-CQSZACIVSA-N 0 1 397.591 3.415 20 0 GGADMN CNC(=O)[C@H](CCSC)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000564126992 566947447 /nfs/dbraw/zinc/94/74/47/566947447.db2.gz AFALJARMGXERQZ-LBPRGKRZSA-N 0 1 399.276 3.425 20 0 GGADMN C[C@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCC[N@H+]1C ZINC000471313641 566947557 /nfs/dbraw/zinc/94/75/57/566947557.db2.gz HVJMASNYXKHCKJ-ZANVPECISA-N 0 1 383.880 3.024 20 0 GGADMN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(Cl)cc2Cl)nn1 ZINC000564131266 566948462 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CC(C)[N@H+](C)C[C@H](C)NC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000519568690 566949128 /nfs/dbraw/zinc/94/91/28/566949128.db2.gz QALORVXVDBGUNX-ZDUSSCGKSA-N 0 1 379.555 3.103 20 0 GGADMN C[C@H]1CC[C@@H](N(CCO)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000429773347 566949578 /nfs/dbraw/zinc/94/95/78/566949578.db2.gz QERUGBGFKJZXCQ-SWLSCSKDSA-N 0 1 380.286 3.482 20 0 GGADMN O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCc2n[nH]nc21 ZINC000612052047 566950066 /nfs/dbraw/zinc/95/00/66/566950066.db2.gz ZYIAXNSTKQVGPP-SECBINFHSA-N 0 1 389.670 3.380 20 0 GGADMN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000519599108 566950750 /nfs/dbraw/zinc/95/07/50/566950750.db2.gz JBNZWQCSABEDBN-HMKSTLMESA-N 0 1 382.835 3.153 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCc2c(F)cc(Br)cc2C1 ZINC000681089883 566950849 /nfs/dbraw/zinc/95/08/49/566950849.db2.gz QSULARIENXLBIP-UHFFFAOYSA-N 0 1 381.249 3.004 20 0 GGADMN O=C(c1cc2cc(Br)sc2[nH]1)N1CCC(c2nc[nH]n2)CC1 ZINC000612072339 566951024 /nfs/dbraw/zinc/95/10/24/566951024.db2.gz WYRDTICRSWLGDV-UHFFFAOYSA-N 0 1 380.271 3.130 20 0 GGADMN O=C(Cc1c(Cl)cccc1Br)N1CCC(c2nc[nH]n2)CC1 ZINC000612077932 566951046 /nfs/dbraw/zinc/95/10/46/566951046.db2.gz TZSJJGTWFOGXCF-UHFFFAOYSA-N 0 1 383.677 3.169 20 0 GGADMN CC(C)Cn1nccc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000519606754 566951284 /nfs/dbraw/zinc/95/12/84/566951284.db2.gz KFLJHLVGBBSJIR-UHFFFAOYSA-N 0 1 389.257 3.339 20 0 GGADMN C[C@]1(F)CCCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000452211408 566951551 /nfs/dbraw/zinc/95/15/51/566951551.db2.gz ZJKDNMNIVFSOEG-AWEZNQCLSA-N 0 1 387.196 3.132 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cccc(I)c2C)[C@H](C)C1 ZINC000564166028 566951501 /nfs/dbraw/zinc/95/15/01/566951501.db2.gz PXVNZAHLHJFWIO-VXGBXAGGSA-N 0 1 386.277 3.154 20 0 GGADMN COC1(CNCc2cn(-c3ccccc3Br)nn2)CCCCC1 ZINC000519613520 566952082 /nfs/dbraw/zinc/95/20/82/566952082.db2.gz NVSCXYKSXLWYQO-UHFFFAOYSA-N 0 1 379.302 3.469 20 0 GGADMN CC(C)c1nc(C(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cs1 ZINC000681126152 566952763 /nfs/dbraw/zinc/95/27/63/566952763.db2.gz QUNNPTXQEZBQCI-GFCCVEGCSA-N 0 1 380.836 3.092 20 0 GGADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493740748 566954711 /nfs/dbraw/zinc/95/47/11/566954711.db2.gz VLVXPPQYMSBQMR-NSHDSACASA-N 0 1 395.750 3.255 20 0 GGADMN C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCOc1ccc(Br)cc1 ZINC000612122645 566954673 /nfs/dbraw/zinc/95/46/73/566954673.db2.gz XUFMRLXIFSJTLE-HNNXBMFYSA-N 0 1 383.330 3.407 20 0 GGADMN C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(Br)cn1 ZINC000583475247 566954911 /nfs/dbraw/zinc/95/49/11/566954911.db2.gz QTTPMKWAYQKJCF-SNVBAGLBSA-N 0 1 384.224 3.203 20 0 GGADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429842520 566955507 /nfs/dbraw/zinc/95/55/07/566955507.db2.gz TXXAGRSVFNYHIC-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)[C@H]2C1 ZINC000493796324 566956128 /nfs/dbraw/zinc/95/61/28/566956128.db2.gz OXXBNFWJWVOEMM-YGRLFVJLSA-N 0 1 382.835 3.074 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000583496122 566956963 /nfs/dbraw/zinc/95/69/63/566956963.db2.gz JUEGUHOTXWPJNV-KBPBESRZSA-N 0 1 392.301 3.087 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000544368183 566957484 /nfs/dbraw/zinc/95/74/84/566957484.db2.gz IBWDSGDXZUWGFK-ZDUSSCGKSA-N 0 1 380.286 3.408 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429848910 566958213 /nfs/dbraw/zinc/95/82/13/566958213.db2.gz SUDLUIITUKZXQI-UHFFFAOYSA-N 0 1 377.293 3.339 20 0 GGADMN O=S(=O)(Cc1cc(F)ccc1Cl)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000656863253 566958255 /nfs/dbraw/zinc/95/82/55/566958255.db2.gz PLCVOEGNJQJRTL-KRWDZBQOSA-N 0 1 382.888 3.173 20 0 GGADMN CCCOc1c(Br)cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OC ZINC000544368898 566958433 /nfs/dbraw/zinc/95/84/33/566958433.db2.gz BXLMXDLOQMUROW-DZKIICNBSA-N 0 1 384.314 3.449 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000471537043 566959265 /nfs/dbraw/zinc/95/92/65/566959265.db2.gz LLTVLTIDRBVLSR-UHFFFAOYSA-N 0 1 388.339 3.024 20 0 GGADMN CC(C)OCC[C@@H](O)CN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000471544668 566959543 /nfs/dbraw/zinc/95/95/43/566959543.db2.gz BYKRYFAAKWVERM-QFBILLFUSA-N 0 1 399.373 3.304 20 0 GGADMN CO[C@@H](CS(=O)(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000656864136 566959810 /nfs/dbraw/zinc/95/98/10/566959810.db2.gz XADHVPOSIBAYMG-IRXDYDNUSA-N 0 1 386.583 3.010 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000493911302 566959894 /nfs/dbraw/zinc/95/98/94/566959894.db2.gz ODBKKESLZLXCLG-KURKYZTESA-N 0 1 395.341 3.026 20 0 GGADMN COc1ccc(CCNCc2cn(-c3ccccc3Br)nn2)cc1 ZINC000583534809 566959953 /nfs/dbraw/zinc/95/99/53/566959953.db2.gz GEMANWCSLNOTCR-UHFFFAOYSA-N 0 1 387.281 3.371 20 0 GGADMN COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000544407368 566960788 /nfs/dbraw/zinc/96/07/88/566960788.db2.gz HSAWCNVQSSASOZ-UHFFFAOYSA-N 0 1 380.491 3.154 20 0 GGADMN COCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1 ZINC000471565883 566961256 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ZINC000583670412 566970304 /nfs/dbraw/zinc/97/03/04/566970304.db2.gz MABUGVOROMYFIU-KDOFPFPSSA-N 0 1 394.240 3.190 20 0 GGADMN Cc1nc(-c2ccc(C(=O)NCc3n[nH]c([C@H]4CCCO4)n3)s2)cs1 ZINC000633586220 566970517 /nfs/dbraw/zinc/97/05/17/566970517.db2.gz KHTQNTIPXMFJBF-LLVKDONJSA-N 0 1 375.479 3.080 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000452381143 566970714 /nfs/dbraw/zinc/97/07/14/566970714.db2.gz VDXFMONPUHREMT-ZDUSSCGKSA-N 0 1 395.297 3.080 20 0 GGADMN O=C(N[C@H]1CCCN(CCCO)C1)c1csc(-c2cccc(Cl)c2)n1 ZINC000452372827 566970779 /nfs/dbraw/zinc/97/07/79/566970779.db2.gz DTCJYEUMBOSDOC-HNNXBMFYSA-N 0 1 379.913 3.040 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452375265 566970974 /nfs/dbraw/zinc/97/09/74/566970974.db2.gz MBRHVXOXMNWOGD-LBPRGKRZSA-N 0 1 399.969 3.410 20 0 GGADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000452375308 566971467 /nfs/dbraw/zinc/97/14/67/566971467.db2.gz MLELGQYDYWHHCM-OAHLLOKOSA-N 0 1 379.913 3.040 20 0 GGADMN COc1cc(Br)c(CN2CCC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1 ZINC000544598249 566971437 /nfs/dbraw/zinc/97/14/37/566971437.db2.gz ZUFOGTHQUMGBJB-LBPRGKRZSA-N 0 1 395.301 3.272 20 0 GGADMN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452376243 566971782 /nfs/dbraw/zinc/97/17/82/566971782.db2.gz NYLNJBMWOHMAPN-CQSZACIVSA-N 0 1 395.297 3.080 20 0 GGADMN C[C@@H]1CCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CCS1 ZINC000494155110 566972852 /nfs/dbraw/zinc/97/28/52/566972852.db2.gz WKABCSJZPIOXDY-CYBMUJFWSA-N 0 1 376.444 3.028 20 0 GGADMN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Br)ccc1F ZINC000681398469 566973381 /nfs/dbraw/zinc/97/33/81/566973381.db2.gz GCOUKMUSONXNKA-LLVKDONJSA-N 0 1 398.276 3.103 20 0 GGADMN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Br)ccc1F ZINC000681398471 566973576 /nfs/dbraw/zinc/97/35/76/566973576.db2.gz GCOUKMUSONXNKA-NSHDSACASA-N 0 1 398.276 3.103 20 0 GGADMN O=C(N[C@H]1CCCN(CCCO)C1)c1cc2ccc(Br)cc2s1 ZINC000452387099 566973636 /nfs/dbraw/zinc/97/36/36/566973636.db2.gz 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COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000544666425 566978000 /nfs/dbraw/zinc/97/80/00/566978000.db2.gz MSHXLARLXXJXMW-GFCCVEGCSA-N 0 1 387.807 3.382 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)NCc3n[nH]c(C(C)C)n3)cc2s1 ZINC000452417296 566978767 /nfs/dbraw/zinc/97/87/67/566978767.db2.gz JAYBIVHTRZYAEX-UHFFFAOYSA-N 0 1 378.527 3.376 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)n[nH]1 ZINC000452417721 566978941 /nfs/dbraw/zinc/97/89/41/566978941.db2.gz KASSMOXHKPJRTL-LLVKDONJSA-N 0 1 393.285 3.216 20 0 GGADMN O=C(CCCCc1ccc(Br)cc1)NCc1n[nH]c(C2CC2)n1 ZINC000452421460 566979001 /nfs/dbraw/zinc/97/90/01/566979001.db2.gz PORGXEHJVTTXFY-UHFFFAOYSA-N 0 1 377.286 3.474 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc3c(ccc(F)c3Br)[nH]2)n[nH]1 ZINC000452420792 566979520 /nfs/dbraw/zinc/97/95/20/566979520.db2.gz AUWNNCQBTCNCIN-UHFFFAOYSA-N 0 1 380.221 3.241 20 0 GGADMN O=S(=O)(NCc1cc(Cl)cc2c1OCC2)c1c(F)cc(F)cc1F ZINC000544669504 566979624 /nfs/dbraw/zinc/97/96/24/566979624.db2.gz CWRQKSDTPBOEGP-UHFFFAOYSA-N 0 1 377.771 3.171 20 0 GGADMN O=C(CCCC(=O)c1ccc(Br)cc1)NCc1n[nH]c(C2CC2)n1 ZINC000452431640 566980702 /nfs/dbraw/zinc/98/07/02/566980702.db2.gz ZHDWKOWTNAGMAT-UHFFFAOYSA-N 0 1 391.269 3.114 20 0 GGADMN C/C(=C/c1ccccc1C(F)(F)F)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430092032 566981361 /nfs/dbraw/zinc/98/13/61/566981361.db2.gz WFYCCFAWVUHWHW-VSKPTYQZSA-N 0 1 376.444 3.074 20 0 GGADMN COCC(=O)Nc1cccc(CN[C@H](C)c2cncc(Br)c2)c1 ZINC000583764480 566981896 /nfs/dbraw/zinc/98/18/96/566981896.db2.gz KOBREKJRRMQPQH-GFCCVEGCSA-N 0 1 378.270 3.280 20 0 GGADMN OCCN(Cc1cccc(F)c1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000494290358 566982454 /nfs/dbraw/zinc/98/24/54/566982454.db2.gz KVTDIQUNWZJAQL-OAHLLOKOSA-N 0 1 388.266 3.367 20 0 GGADMN COCCN(Cc1ccc(Br)s1)C[C@@H](O)COC(C)(C)C ZINC000494279443 566982935 /nfs/dbraw/zinc/98/29/35/566982935.db2.gz KLUVGTJFFFKXMF-GFCCVEGCSA-N 0 1 380.348 3.135 20 0 GGADMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OCC)nc2)ccc1Cl ZINC000612599653 566983164 /nfs/dbraw/zinc/98/31/64/566983164.db2.gz HDQADMADBYBPGD-UHFFFAOYSA-N 0 1 384.841 3.111 20 0 GGADMN CC[C@@H](C(=O)Nc1ccnc(C)c1Br)N(C)Cc1ccccc1 ZINC000564525846 566983310 /nfs/dbraw/zinc/98/33/10/566983310.db2.gz SFAFTIGUKPKZCF-INIZCTEOSA-N 0 1 376.298 3.424 20 0 GGADMN CC(C)(C)OC(=O)CCCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000612610449 566984151 /nfs/dbraw/zinc/98/41/51/566984151.db2.gz GMHRYWSWLGIBMN-UHFFFAOYSA-N 0 1 375.918 3.345 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCc2c(Br)cccc2C1 ZINC000494307473 566986564 /nfs/dbraw/zinc/98/65/64/566986564.db2.gz GCHFYKPTTDUPBA-UHFFFAOYSA-N 0 1 378.295 3.100 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000430133226 566988235 /nfs/dbraw/zinc/98/82/35/566988235.db2.gz YFPZLSFTUOKSEA-RLFYNMQTSA-N 0 1 384.973 3.296 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CN1C1CC1 ZINC000564578636 566989287 /nfs/dbraw/zinc/98/92/87/566989287.db2.gz XMXUBXGYQWPQKQ-WCBMZHEXSA-N 0 1 390.698 3.327 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000544748133 566990517 /nfs/dbraw/zinc/99/05/17/566990517.db2.gz BNAILWOCGSVWTD-KGLIPLIRSA-N 0 1 378.460 3.431 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000583871740 566990934 /nfs/dbraw/zinc/99/09/34/566990934.db2.gz ZFDBHFZRDOLFFL-MWLCHTKSSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000583871740 566990943 /nfs/dbraw/zinc/99/09/43/566990943.db2.gz ZFDBHFZRDOLFFL-MWLCHTKSSA-N 0 1 378.778 3.340 20 0 GGADMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000471971161 566990872 /nfs/dbraw/zinc/99/08/72/566990872.db2.gz SSNQGCSNOKZYBG-UHFFFAOYSA-N 0 1 384.816 3.112 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000583871739 566991493 /nfs/dbraw/zinc/99/14/93/566991493.db2.gz ZFDBHFZRDOLFFL-KOLCDFICSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000583871739 566991501 /nfs/dbraw/zinc/99/15/01/566991501.db2.gz ZFDBHFZRDOLFFL-KOLCDFICSA-N 0 1 378.778 3.340 20 0 GGADMN O=C1CCCc2cc(S(=O)(=O)Nc3cc(F)cc(Cl)c3O)ccc2N1 ZINC000471977918 566992434 /nfs/dbraw/zinc/99/24/34/566992434.db2.gz JCRRFTNYNRPUSB-UHFFFAOYSA-N 0 1 384.816 3.260 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)C2=Cc3cc(Br)ccc3OC2)c1 ZINC000583887519 566992863 /nfs/dbraw/zinc/99/28/63/566992863.db2.gz VCVQMQTYXBZRQC-UHFFFAOYSA-N 0 1 388.265 3.320 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1-n1cnnn1 ZINC000520280126 566993546 /nfs/dbraw/zinc/99/35/46/566993546.db2.gz MEKHORVSBMLJOU-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN CN(C(=O)CN1CCC(n2cc(Br)cn2)CC1)C1CCCCC1 ZINC000520263874 566993598 /nfs/dbraw/zinc/99/35/98/566993598.db2.gz MPRVSUMIRLTYQO-UHFFFAOYSA-N 0 1 383.334 3.074 20 0 GGADMN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000471993607 566993647 /nfs/dbraw/zinc/99/36/47/566993647.db2.gz VDMCFNGNHREWBE-UHFFFAOYSA-N 0 1 394.653 3.328 20 0 GGADMN O=C(Nc1ccncc1Br)c1ccc(CN2CCSCC2)cc1 ZINC000494359415 566993636 /nfs/dbraw/zinc/99/36/36/566993636.db2.gz GKHFUPPZCLQPSE-UHFFFAOYSA-N 0 1 392.322 3.067 20 0 GGADMN C[C@H](C(=O)N(C)c1ccccc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000520263797 566994295 /nfs/dbraw/zinc/99/42/95/566994295.db2.gz JITBJEYGQZFHTP-CQSZACIVSA-N 0 1 391.313 3.334 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000681618127 566994792 /nfs/dbraw/zinc/99/47/92/566994792.db2.gz YLPZGCFJQAGZNU-SJORKVTESA-N 0 1 396.329 3.129 20 0 GGADMN CN(C)C[C@H](NC(=O)CSc1nncs1)c1cccc(C(F)(F)F)c1 ZINC000633777581 566995043 /nfs/dbraw/zinc/99/50/43/566995043.db2.gz ZNMYVYOAIIJRNM-LBPRGKRZSA-N 0 1 390.456 3.068 20 0 GGADMN Cc1cccc2nc(CNC[C@@H](O)COc3ccc(Cl)cc3Cl)cn21 ZINC000583930252 566996304 /nfs/dbraw/zinc/99/63/04/566996304.db2.gz VRYFUNPECCERKS-OAHLLOKOSA-N 0 1 380.275 3.479 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000564655067 566996420 /nfs/dbraw/zinc/99/64/20/566996420.db2.gz MQYCDPDEPRHJKK-UHFFFAOYSA-N 0 1 375.266 3.404 20 0 GGADMN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000564657253 566996448 /nfs/dbraw/zinc/99/64/48/566996448.db2.gz AZHPAJFJQYGKTC-HIFRSBDPSA-N 0 1 398.315 3.320 20 0 GGADMN C[N@H+]1CCCN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000612806222 566996845 /nfs/dbraw/zinc/99/68/45/566996845.db2.gz XCSWFIMQOWYHIH-GHMZBOCLSA-N 0 1 375.357 3.243 20 0 GGADMN CCCN1CCN(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)CC1 ZINC000494406708 566998528 /nfs/dbraw/zinc/99/85/28/566998528.db2.gz ZIBJXTSCQFEPRT-UHFFFAOYSA-N 0 1 398.301 3.104 20 0 GGADMN O=C(NCCCNCc1ncc(Cl)s1)c1cccc(Br)c1 ZINC000472077886 566998705 /nfs/dbraw/zinc/99/87/05/566998705.db2.gz JUJZBCDNTVPGAG-UHFFFAOYSA-N 0 1 388.718 3.469 20 0 GGADMN COc1ccc(Br)c(CN(C)C(=O)c2ccc3[nH]nnc3c2)c1 ZINC000430198442 566998842 /nfs/dbraw/zinc/99/88/42/566998842.db2.gz YKZIVQMNJMNVAW-UHFFFAOYSA-N 0 1 375.226 3.001 20 0 GGADMN NS(=O)(=O)c1ccc(CNCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000564685850 566999306 /nfs/dbraw/zinc/99/93/06/566999306.db2.gz OYZNCZXFAXTQNU-UHFFFAOYSA-N 0 1 378.803 3.296 20 0 GGADMN Cc1nc2ccc(NC(=O)c3ccc(I)c(O)c3)cc2[nH]1 ZINC000544832209 566999634 /nfs/dbraw/zinc/99/96/34/566999634.db2.gz GGUFBXQDVBTYEF-UHFFFAOYSA-N 0 1 393.184 3.434 20 0 GGADMN Cc1cc([C@@H]2CCCN2CCCS(=O)(=O)N(C)C)ccc1Br ZINC000430217173 567000397 /nfs/dbraw/zinc/00/03/97/567000397.db2.gz IQTMWVQIMJHOHO-INIZCTEOSA-N 0 1 389.359 3.176 20 0 GGADMN CC[C@@H](C)N(CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000520382348 567000847 /nfs/dbraw/zinc/00/08/47/567000847.db2.gz ARGRPOPMRWYNRW-SNVBAGLBSA-N 0 1 397.235 3.499 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCCC(F)(F)F ZINC000544845905 567001024 /nfs/dbraw/zinc/00/10/24/567001024.db2.gz AHWVGFOOXFGEFT-MRXNPFEDSA-N 0 1 378.460 3.255 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)NC1(C(F)(F)F)CCCCC1 ZINC000544843860 567001175 /nfs/dbraw/zinc/00/11/75/567001175.db2.gz XTATXXUAPUOHTH-UHFFFAOYSA-N 0 1 383.363 3.156 20 0 GGADMN CN1C[C@@H](NC(=O)c2cccc(Br)c2F)[C@@H](c2ccccc2)C1 ZINC000430256223 567002353 /nfs/dbraw/zinc/00/23/53/567002353.db2.gz IKGPFPCZSICOLZ-GDBMZVCRSA-N 0 1 377.257 3.416 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000494480631 567003836 /nfs/dbraw/zinc/00/38/36/567003836.db2.gz XMEIMMGXCJIWTL-ZIAGYGMSSA-N 0 1 391.313 3.190 20 0 GGADMN O=C(NC1CC1)N[C@H]1CCN([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000544880493 567004702 /nfs/dbraw/zinc/00/47/02/567004702.db2.gz DDDDBTYZYSZAGZ-RDJZCZTQSA-N 0 1 378.314 3.362 20 0 GGADMN COc1ccc(Br)c(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 ZINC000564737449 567004687 /nfs/dbraw/zinc/00/46/87/567004687.db2.gz ZOJPBGVXAMRMMF-MRXNPFEDSA-N 0 1 381.314 3.194 20 0 GGADMN CC(C)(C)OC[C@H](O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000520416536 567004799 /nfs/dbraw/zinc/00/47/99/567004799.db2.gz IHXGDLRZSCJNCB-CQSZACIVSA-N 0 1 378.296 3.099 20 0 GGADMN CCC[C@]1(CO)CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000584017282 567005004 /nfs/dbraw/zinc/00/50/04/567005004.db2.gz KQWJTBMUTJTYGQ-WMZOPIPTSA-N 0 1 381.314 3.039 20 0 GGADMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453096041 567053254 /nfs/dbraw/zinc/05/32/54/567053254.db2.gz OGPFWJZHXKOLBL-LDWIPMOCSA-N 0 1 377.119 3.004 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1ccc(F)cc1 ZINC000520453764 567006379 /nfs/dbraw/zinc/00/63/79/567006379.db2.gz NBJXXBWIILYXEQ-ZDUSSCGKSA-N 0 1 395.276 3.221 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Br)c(OC)cc2OC)C[C@H]1C ZINC000681790602 567006601 /nfs/dbraw/zinc/00/66/01/567006601.db2.gz IYPMHMRGRIMKNA-LLVKDONJSA-N 0 1 386.290 3.024 20 0 GGADMN Cc1cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c2ccc(Br)cc2n1 ZINC000564793273 567007841 /nfs/dbraw/zinc/00/78/41/567007841.db2.gz TVZKLFLQNYQCOD-LLVKDONJSA-N 0 1 386.253 3.054 20 0 GGADMN CC[N@H+](CCNC(=O)N=c1[n-]nc(-c2ccsc2)s1)CCC(F)(F)F ZINC000494548534 567008150 /nfs/dbraw/zinc/00/81/50/567008150.db2.gz ZGDHNSVZJJNZAZ-UHFFFAOYSA-N 0 1 393.460 3.084 20 0 GGADMN CC[N@@H+](CCNC(=O)N=c1[n-]nc(-c2ccsc2)s1)CCC(F)(F)F ZINC000494548534 567008156 /nfs/dbraw/zinc/00/81/56/567008156.db2.gz ZGDHNSVZJJNZAZ-UHFFFAOYSA-N 0 1 393.460 3.084 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000584052784 567008943 /nfs/dbraw/zinc/00/89/43/567008943.db2.gz GDELCDFOIUDGNE-WDEREUQCSA-N 0 1 387.249 3.102 20 0 GGADMN O=C([O-])[C@H](c1ccc(Br)cc1F)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000564804220 567009405 /nfs/dbraw/zinc/00/94/05/567009405.db2.gz UYOODAFHJVNUKB-WBMJQRKESA-N 0 1 386.261 3.462 20 0 GGADMN C[C@@H](C(=O)NCc1n[nH]c(C2CCOCC2)n1)c1c(Cl)cccc1Cl ZINC000634009674 567010303 /nfs/dbraw/zinc/01/03/03/567010303.db2.gz QYLRXLHTXGCECX-SNVBAGLBSA-N 0 1 383.279 3.425 20 0 GGADMN CO[C@@H]([C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000584095405 567012058 /nfs/dbraw/zinc/01/20/58/567012058.db2.gz JWBBDVFYCPEWNL-OOVXXXAESA-N 0 1 388.327 3.071 20 0 GGADMN O[C@H](CN[C@H]1COc2ccc(F)cc21)COc1cccc(Br)c1 ZINC000520570224 567012183 /nfs/dbraw/zinc/01/21/83/567012183.db2.gz WVLUEPLEBXWTFK-CJNGLKHVSA-N 0 1 382.229 3.051 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@@H](C)c2cncc(Br)c2)c1 ZINC000584124416 567013334 /nfs/dbraw/zinc/01/33/34/567013334.db2.gz DVOAAXFBVQEQOA-ZDUSSCGKSA-N 0 1 392.297 3.210 20 0 GGADMN CCOc1ncccc1CNCCC(=O)Nc1cccc(Br)c1 ZINC000564846019 567013452 /nfs/dbraw/zinc/01/34/52/567013452.db2.gz YGWPBICNSYNWOI-UHFFFAOYSA-N 0 1 378.270 3.361 20 0 GGADMN Cc1ccc(CN(CC[C@H]2CCNC2=O)C[C@H]2CCCO2)c(Br)c1 ZINC000584121690 567013603 /nfs/dbraw/zinc/01/36/03/567013603.db2.gz VCIQXCWLXJRKPN-NVXWUHKLSA-N 0 1 395.341 3.265 20 0 GGADMN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000430391413 567013717 /nfs/dbraw/zinc/01/37/17/567013717.db2.gz GZOBWJPNHZEGKH-UHFFFAOYSA-N 0 1 391.873 3.300 20 0 GGADMN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2Cl)cc1Cl ZINC000584117479 567013789 /nfs/dbraw/zinc/01/37/89/567013789.db2.gz JFPKTSVPMKBXAZ-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN Cc1ccc(CN(CC[C@@H]2CCNC2=O)C[C@@H]2CCCO2)c(Br)c1 ZINC000584121691 567014070 /nfs/dbraw/zinc/01/40/70/567014070.db2.gz VCIQXCWLXJRKPN-RDJZCZTQSA-N 0 1 395.341 3.265 20 0 GGADMN Cc1nc2c(n1CCS(=O)(=O)c1cccc(Br)c1)CCCC2 ZINC000520630733 567015243 /nfs/dbraw/zinc/01/52/43/567015243.db2.gz VFMDDZJZAADWAB-UHFFFAOYSA-N 0 1 383.311 3.307 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)cc1Cl ZINC000520637916 567015338 /nfs/dbraw/zinc/01/53/38/567015338.db2.gz PJIKBGJPTVVYSS-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000520624712 567015456 /nfs/dbraw/zinc/01/54/56/567015456.db2.gz XNFMALALRWZNFW-UHFFFAOYSA-N 0 1 395.897 3.229 20 0 GGADMN NC(=O)C[C@H]1CCCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000472285002 567015735 /nfs/dbraw/zinc/01/57/35/567015735.db2.gz NNQGTVJBKDELNO-LLVKDONJSA-N 0 1 375.694 3.069 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2c(Cl)cnn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000613129083 567015965 /nfs/dbraw/zinc/01/59/65/567015965.db2.gz PGOOVTLWIWZXQS-XHDPSFHLSA-N 0 1 385.270 3.289 20 0 GGADMN Cc1cc(Br)cc2cc(C(=O)N3CC[C@H](c4nc[nH]n4)C3)oc21 ZINC000564871524 567016327 /nfs/dbraw/zinc/01/63/27/567016327.db2.gz NRJOLKMXKFIXGB-JTQLQIEISA-N 0 1 375.226 3.252 20 0 GGADMN C[S@](=O)c1ccc(CNCc2cc(Br)cc3c2OCC3)cc1 ZINC000613172606 567017908 /nfs/dbraw/zinc/01/79/08/567017908.db2.gz TTYFJLKCKRLVCM-QFIPXVFZSA-N 0 1 380.307 3.411 20 0 GGADMN CCO[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C[C@H]1C ZINC000452821365 567019911 /nfs/dbraw/zinc/01/99/11/567019911.db2.gz IMVHDIBKKHHOMM-BDJLRTHQSA-N 0 1 393.281 3.178 20 0 GGADMN COc1ccc(CCNC(=O)c2cccc(Br)c2O)cc1OC ZINC000520716786 567020107 /nfs/dbraw/zinc/02/01/07/567020107.db2.gz BLLCZOWCCBPQBA-UHFFFAOYSA-N 0 1 380.238 3.144 20 0 GGADMN Cn1ccnc1[C@@H](NC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000520716851 567020451 /nfs/dbraw/zinc/02/04/51/567020451.db2.gz FCXRSEFUPDOLLO-HNNXBMFYSA-N 0 1 386.249 3.408 20 0 GGADMN CCCCOC1CCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000564924577 567021093 /nfs/dbraw/zinc/02/10/93/567021093.db2.gz MDNUNBGCMDCIRS-SFHVURJKSA-N 0 1 383.330 3.431 20 0 GGADMN Cc1cc(CNS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)n[nH]1 ZINC000682000699 567021618 /nfs/dbraw/zinc/02/16/18/567021618.db2.gz GCJWUNZKDYLZSQ-UHFFFAOYSA-N 0 1 399.097 3.266 20 0 GGADMN COC(=O)c1nscc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000545147215 567022024 /nfs/dbraw/zinc/02/20/24/567022024.db2.gz OXDREVRBIZOMDT-UHFFFAOYSA-N 0 1 381.262 3.178 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@](C)(N)c1ccc(Br)cc1)c1nccs1 ZINC000564941095 567022819 /nfs/dbraw/zinc/02/28/19/567022819.db2.gz ZAEFUOGQABUDKL-BZNIZROVSA-N 0 1 382.327 3.342 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000430581331 567023030 /nfs/dbraw/zinc/02/30/30/567023030.db2.gz HEDOACFJGBUXFH-NVXWUHKLSA-N 0 1 375.266 3.397 20 0 GGADMN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCN1C1CC1 ZINC000494797492 567023117 /nfs/dbraw/zinc/02/31/17/567023117.db2.gz ZSFACCCRZVHKDN-KDOFPFPSSA-N 0 1 392.341 3.018 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCCN1C1CC1 ZINC000494797493 567023167 /nfs/dbraw/zinc/02/31/67/567023167.db2.gz ZSFACCCRZVHKDN-KSSFIOAISA-N 0 1 392.341 3.018 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCN1C1CC1 ZINC000494797491 567023251 /nfs/dbraw/zinc/02/32/51/567023251.db2.gz ZSFACCCRZVHKDN-KBXCAEBGSA-N 0 1 392.341 3.018 20 0 GGADMN CN(CC(=O)N1CC[C@H](c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000452846737 567023644 /nfs/dbraw/zinc/02/36/44/567023644.db2.gz MLLSJVMTZBBXIO-HOCLYGCPSA-N 0 1 383.355 3.202 20 0 GGADMN C[C@@](N)(C(=O)N1CCC([C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000584230543 567023926 /nfs/dbraw/zinc/02/39/26/567023926.db2.gz LJEPWNIAKVUMSY-AEFFLSMTSA-N 0 1 381.314 3.041 20 0 GGADMN C[C@](N)(C(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000584230544 567023994 /nfs/dbraw/zinc/02/39/94/567023994.db2.gz LJEPWNIAKVUMSY-FUHWJXTLSA-N 0 1 381.314 3.041 20 0 GGADMN Cc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)c(Br)s1 ZINC000634196263 567024224 /nfs/dbraw/zinc/02/42/24/567024224.db2.gz RQPNDZODWLDUGK-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=C(Nc1ccccc1-c1nnc[nH]1)c1c[nH]c2ncc(Br)cc12 ZINC000472413766 567024920 /nfs/dbraw/zinc/02/49/20/567024920.db2.gz KFMMPRMCTLLHLA-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN CC1(C)C(=O)N[C@@H]1C1CCN(CCOc2ccccc2Br)CC1 ZINC000520789398 567025222 /nfs/dbraw/zinc/02/52/22/567025222.db2.gz YFUNURDUWNMVBE-MRXNPFEDSA-N 0 1 381.314 3.065 20 0 GGADMN CO[C@@]1(C(F)(F)F)CCCN(C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000682041397 567026741 /nfs/dbraw/zinc/02/67/41/567026741.db2.gz YNHNUYAWZKGGJL-ZBFHGGJFSA-N 0 1 381.822 3.261 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2csc(Br)c2)cn1 ZINC000494826092 567026923 /nfs/dbraw/zinc/02/69/23/567026923.db2.gz PPMXLDIYTJKDCJ-UHFFFAOYSA-N 0 1 380.271 3.047 20 0 GGADMN CO[C@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@@H]1C ZINC000452871055 567028018 /nfs/dbraw/zinc/02/80/18/567028018.db2.gz IMYLIBDMBRERRJ-AAEUAGOBSA-N 0 1 378.270 3.336 20 0 GGADMN CO[C@]1(C(F)(F)F)CCCN(C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000682041394 567027915 /nfs/dbraw/zinc/02/79/15/567027915.db2.gz YNHNUYAWZKGGJL-GDBMZVCRSA-N 0 1 381.822 3.261 20 0 GGADMN CC(C)(N)c1noc(CN2CCC(c3cccc(Br)c3)CC2)n1 ZINC000564989736 567028392 /nfs/dbraw/zinc/02/83/92/567028392.db2.gz YQWJUDNTUZJFIF-UHFFFAOYSA-N 0 1 379.302 3.406 20 0 GGADMN COCC(C)(C)CNc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000494843146 567028595 /nfs/dbraw/zinc/02/85/95/567028595.db2.gz XZEADGPQAAXKLA-UHFFFAOYSA-N 0 1 384.362 3.281 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2ccc(Br)c(F)c2)cn1 ZINC000494842143 567028845 /nfs/dbraw/zinc/02/88/45/567028845.db2.gz LOTZWKLLDYUEQC-UHFFFAOYSA-N 0 1 392.232 3.125 20 0 GGADMN NC(=O)[C@H](NC1CC(OCc2ccccc2)C1)c1ccc(Br)cc1 ZINC000545206245 567029111 /nfs/dbraw/zinc/02/91/11/567029111.db2.gz HLUMLEUPVVAOGA-DAWZGUTISA-N 0 1 389.293 3.313 20 0 GGADMN CO[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H]1C ZINC000452878975 567029176 /nfs/dbraw/zinc/02/91/76/567029176.db2.gz MWYQVGAGQNYHSM-BDJLRTHQSA-N 0 1 378.270 3.336 20 0 GGADMN CO[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H]1C ZINC000452878981 567029449 /nfs/dbraw/zinc/02/94/49/567029449.db2.gz MWYQVGAGQNYHSM-ZBEGNZNMSA-N 0 1 378.270 3.336 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+](C2CCCCC2)C1)c1sccc1Br ZINC000657160265 567029444 /nfs/dbraw/zinc/02/94/44/567029444.db2.gz FHOJOFZZIVIWFJ-NSHDSACASA-N 0 1 393.372 3.196 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+](C2CCCCC2)C1)c1sccc1Br ZINC000657160265 567029451 /nfs/dbraw/zinc/02/94/51/567029451.db2.gz FHOJOFZZIVIWFJ-NSHDSACASA-N 0 1 393.372 3.196 20 0 GGADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000613358804 567032450 /nfs/dbraw/zinc/03/24/50/567032450.db2.gz CPWTYLSFGPUKIQ-HZSPNIEDSA-N 0 1 389.323 3.376 20 0 GGADMN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000613358805 567032787 /nfs/dbraw/zinc/03/27/87/567032787.db2.gz CPWTYLSFGPUKIQ-MCIONIFRSA-N 0 1 389.323 3.376 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000682151634 567033912 /nfs/dbraw/zinc/03/39/12/567033912.db2.gz KYLZVZFBVQPPRD-UHFFFAOYSA-N 0 1 396.248 3.400 20 0 GGADMN NC(=O)[C@H](NCCSCc1ccccc1)c1cccc(Br)c1 ZINC000430760028 567034050 /nfs/dbraw/zinc/03/40/50/567034050.db2.gz QEGUPOAYUOWBKY-MRXNPFEDSA-N 0 1 379.323 3.499 20 0 GGADMN CNC(=O)[C@@]1(C)CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000430776624 567034298 /nfs/dbraw/zinc/03/42/98/567034298.db2.gz PWXZRPKMRKCGRV-AWEZNQCLSA-N 0 1 395.219 3.306 20 0 GGADMN CNC(=O)[C@]1(C)CCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000430765068 567034534 /nfs/dbraw/zinc/03/45/34/567034534.db2.gz DSEGUUOZAUINMN-OAHLLOKOSA-N 0 1 377.229 3.009 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000682155783 567034874 /nfs/dbraw/zinc/03/48/74/567034874.db2.gz DOFHGYMEKVPFTE-UHFFFAOYSA-N 0 1 396.248 3.400 20 0 GGADMN Cn1cc(C(C)(C)NCC(=O)Nc2ccc(Br)cc2Cl)cn1 ZINC000545292764 567035812 /nfs/dbraw/zinc/03/58/12/567035812.db2.gz JMLHALNIQZTBOF-UHFFFAOYSA-N 0 1 385.693 3.299 20 0 GGADMN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(Br)cc1O ZINC000545306097 567036253 /nfs/dbraw/zinc/03/62/53/567036253.db2.gz AEOHEYUVGHSWCF-UHFFFAOYSA-N 0 1 375.222 3.316 20 0 GGADMN COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000565098230 567037803 /nfs/dbraw/zinc/03/78/03/567037803.db2.gz LBYNSRJYQGBHPQ-ZDUSSCGKSA-N 0 1 393.408 3.307 20 0 GGADMN C[NH+](C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000682256686 567038559 /nfs/dbraw/zinc/03/85/59/567038559.db2.gz OCDSNVRNCCIVBC-VXGBXAGGSA-N 0 1 399.713 3.003 20 0 GGADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000565113078 567039761 /nfs/dbraw/zinc/03/97/61/567039761.db2.gz YRCZHXADUNMYKQ-HNNXBMFYSA-N 0 1 376.678 3.416 20 0 GGADMN CC(C)(C)c1nc(C[S@](=O)Cc2nc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000430936872 567040299 /nfs/dbraw/zinc/04/02/99/567040299.db2.gz XKSWKNZRUZOCMR-VWLOTQADSA-N 0 1 379.873 3.255 20 0 GGADMN CC[NH+](CC)CCCN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000565110137 567040280 /nfs/dbraw/zinc/04/02/80/567040280.db2.gz AKHVTKGQVDFIAW-DLBZAZTESA-N 0 1 383.330 3.281 20 0 GGADMN C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(CCN2CCCCC2)NC1=O ZINC000634592919 567040293 /nfs/dbraw/zinc/04/02/93/567040293.db2.gz YSWPKFUVTYAQCJ-SFHVURJKSA-N 0 1 384.307 3.001 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(I)cc1Cl ZINC000565110331 567040619 /nfs/dbraw/zinc/04/06/19/567040619.db2.gz NZROBIVOIIMVSF-LDYMZIIASA-N 0 1 379.625 3.240 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(I)cc1Cl ZINC000565110331 567040625 /nfs/dbraw/zinc/04/06/25/567040625.db2.gz NZROBIVOIIMVSF-LDYMZIIASA-N 0 1 379.625 3.240 20 0 GGADMN Cc1[nH]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC000634614196 567041049 /nfs/dbraw/zinc/04/10/49/567041049.db2.gz VYNFTVVPTXIPKQ-NOZJJQNGSA-N 0 1 394.802 3.132 20 0 GGADMN CNS(=O)(=O)c1ccc(CSc2n[nH]c(CCC3CCCC3)n2)cc1 ZINC000657242955 567041204 /nfs/dbraw/zinc/04/12/04/567041204.db2.gz NMOJHKPSLHNKMH-UHFFFAOYSA-N 0 1 380.539 3.128 20 0 GGADMN CNS(=O)(=O)c1ccc(CSc2nc(CCC3CCCC3)n[nH]2)cc1 ZINC000657242955 567041207 /nfs/dbraw/zinc/04/12/07/567041207.db2.gz NMOJHKPSLHNKMH-UHFFFAOYSA-N 0 1 380.539 3.128 20 0 GGADMN CN(C)[C@@H](CN1C(=O)N[C@@H](Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000430962682 567041818 /nfs/dbraw/zinc/04/18/18/567041818.db2.gz QUXGLGKKAHDFPP-GJZGRUSLSA-N 0 1 377.897 3.167 20 0 GGADMN CCCC[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000521119722 567042363 /nfs/dbraw/zinc/04/23/63/567042363.db2.gz UNVFSJGMIWNZJU-ZDUSSCGKSA-N 0 1 389.949 3.039 20 0 GGADMN C[C@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1nnc2ccccn21 ZINC000634639147 567042214 /nfs/dbraw/zinc/04/22/14/567042214.db2.gz CRXHCZSJBIPELN-FZMZJTMJSA-N 0 1 381.263 3.127 20 0 GGADMN CN(C)[C@H](CN1C(=O)N[C@H](Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000430962683 567042578 /nfs/dbraw/zinc/04/25/78/567042578.db2.gz QUXGLGKKAHDFPP-HUUCEWRRSA-N 0 1 377.897 3.167 20 0 GGADMN CN(C)[C@H](CN1C(=O)CN(Cc2ccc(Cl)cc2)C1=O)c1cccs1 ZINC000430946308 567042648 /nfs/dbraw/zinc/04/26/48/567042648.db2.gz VQXFETYDTPCHNY-OAHLLOKOSA-N 0 1 377.897 3.469 20 0 GGADMN Cc1cc(N2CC[C@@H](NCc3ccc(O)cc3)C2=O)ccc1Br ZINC000682406090 567042820 /nfs/dbraw/zinc/04/28/20/567042820.db2.gz LEMUZFCYUIHAJC-QGZVFWFLSA-N 0 1 375.266 3.358 20 0 GGADMN CCN1CCCN(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000521135853 567043371 /nfs/dbraw/zinc/04/33/71/567043371.db2.gz WPCMSUQDRMYZMX-UHFFFAOYSA-N 0 1 378.567 3.263 20 0 GGADMN O=C1NCCC[C@@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000657287830 567043949 /nfs/dbraw/zinc/04/39/49/567043949.db2.gz FYBLORBWESQSFQ-GFCCVEGCSA-N 0 1 380.311 3.188 20 0 GGADMN COc1cc(F)c(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1OC ZINC000430978986 567043839 /nfs/dbraw/zinc/04/38/39/567043839.db2.gz MMRMNBKCUNRHGB-UHFFFAOYSA-N 0 1 383.294 3.200 20 0 GGADMN O=C(CN(Cc1cccc(Br)c1)C1CCOCC1)Nc1ccon1 ZINC000682436390 567044036 /nfs/dbraw/zinc/04/40/36/567044036.db2.gz VHOZBBVRMWFGCZ-UHFFFAOYSA-N 0 1 394.269 3.057 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472667762 567044526 /nfs/dbraw/zinc/04/45/26/567044526.db2.gz GYTRMQVGJGOLCS-MRXNPFEDSA-N 0 1 382.888 3.173 20 0 GGADMN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCN1C1CC1 ZINC000495099725 567046498 /nfs/dbraw/zinc/04/64/98/567046498.db2.gz RROSCSRUVFWIQL-RDTXWAMCSA-N 0 1 392.341 3.018 20 0 GGADMN Cn1nc(C(F)(F)F)cc1CNC[C@H](O)COc1cccc(Cl)c1Cl ZINC000657330159 567046523 /nfs/dbraw/zinc/04/65/23/567046523.db2.gz LORMHFQYCMVPKS-JTQLQIEISA-N 0 1 398.212 3.275 20 0 GGADMN Cc1ccc(C(C)(C)NCCS(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000545395407 567047364 /nfs/dbraw/zinc/04/73/64/567047364.db2.gz FLCIKGUWJMRWHX-UHFFFAOYSA-N 0 1 397.338 3.451 20 0 GGADMN Cc1c(Br)cncc1CN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000657326190 567047384 /nfs/dbraw/zinc/04/73/84/567047384.db2.gz CIDCOZANXCJLQS-QGZVFWFLSA-N 0 1 376.298 3.462 20 0 GGADMN Cc1c(Br)cncc1CNCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000657310765 567047804 /nfs/dbraw/zinc/04/78/04/567047804.db2.gz DTMHQZMPHAVOFF-CYBMUJFWSA-N 0 1 391.313 3.062 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1csnn1 ZINC000521209517 567048225 /nfs/dbraw/zinc/04/82/25/567048225.db2.gz QPFUOTIELKAHRN-BLLLJJGKSA-N 0 1 379.917 3.389 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000565213596 567048545 /nfs/dbraw/zinc/04/85/45/567048545.db2.gz LMCLXOGBFHYQOY-NSHDSACASA-N 0 1 383.279 3.184 20 0 GGADMN C[C@@]1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCS1 ZINC000584514620 567048698 /nfs/dbraw/zinc/04/86/98/567048698.db2.gz AERYILVTJUJQIY-HNNXBMFYSA-N 0 1 383.315 3.410 20 0 GGADMN COc1cc(CNCc2c(C3CC3)cnn2C)cc(Br)c1OC ZINC000657350769 567050270 /nfs/dbraw/zinc/05/02/70/567050270.db2.gz ZNEBHEJHIYAOBG-UHFFFAOYSA-N 0 1 380.286 3.367 20 0 GGADMN CC(C)(N)c1noc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC000431069454 567050836 /nfs/dbraw/zinc/05/08/36/567050836.db2.gz LVOSVMKXCOTBJE-CYBMUJFWSA-N 0 1 389.258 3.283 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000472761642 567051204 /nfs/dbraw/zinc/05/12/04/567051204.db2.gz GNFQHFMKVHZICP-CYBMUJFWSA-N 0 1 379.555 3.104 20 0 GGADMN COc1ccc2c(c1)C[C@@H](NCc1cn3cc(Br)ccc3n1)CO2 ZINC000453077249 567051237 /nfs/dbraw/zinc/05/12/37/567051237.db2.gz XVMMADUWWRWFSB-CQSZACIVSA-N 0 1 388.265 3.199 20 0 GGADMN CN(Cc1nc(C(C)(C)N)no1)CC1(c2ccc(Br)cc2)CC1 ZINC000431072121 567051883 /nfs/dbraw/zinc/05/18/83/567051883.db2.gz XIOBGPVYLBGIEC-UHFFFAOYSA-N 0 1 379.302 3.190 20 0 GGADMN Cc1c(Br)cncc1CN[C@@H]1CCN(c2ccccc2F)C1=O ZINC000657360176 567051886 /nfs/dbraw/zinc/05/18/86/567051886.db2.gz YHHUENHPXVAUPQ-OAHLLOKOSA-N 0 1 378.245 3.187 20 0 GGADMN CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000565253158 567052342 /nfs/dbraw/zinc/05/23/42/567052342.db2.gz GUEXJAFWEIGRCC-NWDGAFQWSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000565253158 567052348 /nfs/dbraw/zinc/05/23/48/567052348.db2.gz GUEXJAFWEIGRCC-NWDGAFQWSA-N 0 1 394.212 3.115 20 0 GGADMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453096042 567052723 /nfs/dbraw/zinc/05/27/23/567052723.db2.gz OGPFWJZHXKOLBL-LHLIQPBNSA-N 0 1 377.119 3.004 20 0 GGADMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453096043 567053024 /nfs/dbraw/zinc/05/30/24/567053024.db2.gz OGPFWJZHXKOLBL-QUBYGPBYSA-N 0 1 377.119 3.004 20 0 GGADMN O=C(Cc1ccc(Br)c(Cl)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000682509455 567053064 /nfs/dbraw/zinc/05/30/64/567053064.db2.gz GFENRSNTBICAQD-UHFFFAOYSA-N 0 1 383.677 3.169 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2cncc(Br)c2C)C1=O ZINC000657395208 567053514 /nfs/dbraw/zinc/05/35/14/567053514.db2.gz SCEVWGACUYIPEO-HNNXBMFYSA-N 0 1 390.281 3.056 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000565290254 567054329 /nfs/dbraw/zinc/05/43/29/567054329.db2.gz WURQTTKWCLDJPX-QWHCGFSZSA-N 0 1 377.286 3.285 20 0 GGADMN C[C@](N)(C(=O)NCCCNc1cccc(F)c1)c1ccc(Br)cc1 ZINC000565302150 567055384 /nfs/dbraw/zinc/05/53/84/567055384.db2.gz CYHBLFRAHWWZHU-GOSISDBHSA-N 0 1 394.288 3.381 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000565299574 567055476 /nfs/dbraw/zinc/05/54/76/567055476.db2.gz MACQZTWWTSDQQE-CQSZACIVSA-N 0 1 380.275 3.410 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000521342902 567056199 /nfs/dbraw/zinc/05/61/99/567056199.db2.gz HNKOXYZHJJIIAD-UHFFFAOYSA-N 0 1 379.810 3.279 20 0 GGADMN OC[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Br)cc1 ZINC000657422614 567056529 /nfs/dbraw/zinc/05/65/29/567056529.db2.gz YIGYOTNBPPWQDH-OALUTQOASA-N 0 1 392.293 3.440 20 0 GGADMN C[C@@H](NC[C@H](O)COC1CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727183 567056550 /nfs/dbraw/zinc/05/65/50/567056550.db2.gz MNVYHIVCZOTCDH-MNOVXSKESA-N 0 1 388.295 3.077 20 0 GGADMN Cc1ncc([C@@H](C)NCCS(=O)(=O)c2cccc(Br)c2)s1 ZINC000634727541 567056742 /nfs/dbraw/zinc/05/67/42/567056742.db2.gz YMIDYRCTRRDKPX-SNVBAGLBSA-N 0 1 389.340 3.339 20 0 GGADMN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c1 ZINC000565318205 567057218 /nfs/dbraw/zinc/05/72/18/567057218.db2.gz NKXHDNOXXFNMOB-UHFFFAOYSA-N 0 1 377.857 3.240 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1nnc(C2CC2)s1)c1ccc(Cl)cc1 ZINC000521404317 567058172 /nfs/dbraw/zinc/05/81/72/567058172.db2.gz LRVIAASBWYVUEI-CQSZACIVSA-N 0 1 379.917 3.171 20 0 GGADMN O=C(c1csc([C@H]2CCCO2)n1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000584585205 567058231 /nfs/dbraw/zinc/05/82/31/567058231.db2.gz CTSXTKYYSFOHMP-JKSUJKDBSA-N 0 1 377.897 3.435 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000545520146 567058489 /nfs/dbraw/zinc/05/84/89/567058489.db2.gz HCFJWJXTGFZGMB-ZBFHGGJFSA-N 0 1 393.285 3.225 20 0 GGADMN CN(CC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)[C@H]1CCSC1 ZINC000495355455 567058686 /nfs/dbraw/zinc/05/86/86/567058686.db2.gz JNEVFXKWJJOABI-CVEARBPZSA-N 0 1 382.957 3.395 20 0 GGADMN CO[C@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C12CCC2 ZINC000453159362 567059429 /nfs/dbraw/zinc/05/94/29/567059429.db2.gz NOSKEWORZMEBCF-CVEARBPZSA-N 0 1 377.286 3.077 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1(CCO)CCOCC1 ZINC000495445114 567060181 /nfs/dbraw/zinc/06/01/81/567060181.db2.gz QMJMXJGXEDEZEJ-UHFFFAOYSA-N 0 1 395.714 3.449 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](N)c1ccccc1C ZINC000565359710 567060759 /nfs/dbraw/zinc/06/07/59/567060759.db2.gz JDRMBDJDWQCDLA-KRWDZBQOSA-N 0 1 377.282 3.425 20 0 GGADMN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(OC(C)C)nc2)ccc1Cl ZINC000634787983 567060876 /nfs/dbraw/zinc/06/08/76/567060876.db2.gz XWKPBRQGVYMIFJ-UHFFFAOYSA-N 0 1 383.857 3.281 20 0 GGADMN Cc1nc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)sc1Br ZINC000565349002 567061030 /nfs/dbraw/zinc/06/10/30/567061030.db2.gz GQUDVKVZFCUSPK-MRVPVSSYSA-N 0 1 387.307 3.016 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc(Br)c1)c1ccc([S@@](C)=O)cc1 ZINC000495420402 567061273 /nfs/dbraw/zinc/06/12/73/567061273.db2.gz HQPSKJYHXKEPTR-DAOPMYJZSA-N 0 1 395.322 3.476 20 0 GGADMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(F)c(I)c1 ZINC000453184900 567061595 /nfs/dbraw/zinc/06/15/95/567061595.db2.gz UTLIASQEIIHDON-IONNQARKSA-N 0 1 391.146 3.394 20 0 GGADMN COC(=O)c1occc1CNCCc1cn2cc(Br)cc(C)c2n1 ZINC000545554684 567062031 /nfs/dbraw/zinc/06/20/31/567062031.db2.gz FFRWTADPGYXJIP-UHFFFAOYSA-N 0 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567144613 /nfs/dbraw/zinc/14/46/13/567144613.db2.gz VORAXUCLVAQCEV-LLVKDONJSA-N 0 1 383.853 3.245 20 0 GGADMN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1Cl ZINC000614873222 567144972 /nfs/dbraw/zinc/14/49/72/567144972.db2.gz COPNUCYZZKTVPF-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN Cc1c(Cl)cc(S(=O)(=O)NCCCN2CCCO[C@H](C)C2)cc1Cl ZINC000432292278 567145129 /nfs/dbraw/zinc/14/51/29/567145129.db2.gz SQPSKMJDRVUHHD-GFCCVEGCSA-N 0 1 395.352 3.081 20 0 GGADMN O=C(CCCOc1cccc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000614869827 567145492 /nfs/dbraw/zinc/14/54/92/567145492.db2.gz PKTWCEGKUPVITG-UHFFFAOYSA-N 0 1 381.314 3.162 20 0 GGADMN CNC(=O)[C@H](CCSC)NCc1ccc(Br)cc1SC ZINC000588932021 567146217 /nfs/dbraw/zinc/14/62/17/567146217.db2.gz VIQSXRXMKNBEDP-LBPRGKRZSA-N 0 1 377.373 3.128 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NC[C@@]3(C)CCCS3)c12 ZINC000566291471 567146700 /nfs/dbraw/zinc/14/67/00/567146700.db2.gz JVCWRPVIOAJVGZ-QGZVFWFLSA-N 0 1 380.539 3.457 20 0 GGADMN CCc1nc(CCNC(=O)c2ccc(CN3CCSCC3)cc2)cs1 ZINC000523263259 567147475 /nfs/dbraw/zinc/14/74/75/567147475.db2.gz KTERYJWAOWMJMI-UHFFFAOYSA-N 0 1 375.563 3.227 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000474215847 567148084 /nfs/dbraw/zinc/14/80/84/567148084.db2.gz KKKDPGPJILLHON-KBPBESRZSA-N 0 1 387.351 3.476 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000474215854 567148321 /nfs/dbraw/zinc/14/83/21/567148321.db2.gz KKKDPGPJILLHON-UONOGXRCSA-N 0 1 387.351 3.476 20 0 GGADMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000474208182 567148490 /nfs/dbraw/zinc/14/84/90/567148490.db2.gz CGMWJVAIJPRKAK-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN COCC[N@@H+](C)CCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000588981873 567148756 /nfs/dbraw/zinc/14/87/56/567148756.db2.gz XVORTQCVIOKATL-UHFFFAOYSA-N 0 1 376.328 3.492 20 0 GGADMN CS(=O)(=O)Nc1cccc(CNc2nc3ccc(Br)cc3[nH]2)c1 ZINC000683722256 567149142 /nfs/dbraw/zinc/14/91/42/567149142.db2.gz BCMFODVUPAUNIT-UHFFFAOYSA-N 0 1 395.282 3.309 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000474219811 567149988 /nfs/dbraw/zinc/14/99/88/567149988.db2.gz MHQKLJRMJVRSOK-OLZOCXBDSA-N 0 1 389.323 3.064 20 0 GGADMN COc1cccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000432331044 567150365 /nfs/dbraw/zinc/15/03/65/567150365.db2.gz IMHQWMKKAVDPCQ-QGZVFWFLSA-N 0 1 375.266 3.353 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000432331607 567150500 /nfs/dbraw/zinc/15/05/00/567150500.db2.gz OSKKENZDFZWAKU-QGZVFWFLSA-N 0 1 375.266 3.353 20 0 GGADMN COC(=O)c1cc(NC(=O)c2ccc3cncn3c2)c(C)cc1Br ZINC000589046913 567150799 /nfs/dbraw/zinc/15/07/99/567150799.db2.gz IPKLMEPPOJVLBZ-UHFFFAOYSA-N 0 1 388.221 3.444 20 0 GGADMN Cc1sc2ncnc(SCC3=Nc4ccccc4S(=O)(=O)N3)c2c1C ZINC000589020394 567151441 /nfs/dbraw/zinc/15/14/41/567151441.db2.gz ONXIJJDMNIRVBU-UHFFFAOYSA-N 0 1 390.515 3.422 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)NC(C)(C)c2cnn(C)c2)ccc1Br ZINC000546705188 567151562 /nfs/dbraw/zinc/15/15/62/567151562.db2.gz PGZPDFOVCAJKBC-LBPRGKRZSA-N 0 1 379.302 3.343 20 0 GGADMN COc1ccc([C@H](C)NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1Br ZINC000454179285 567151649 /nfs/dbraw/zinc/15/16/49/567151649.db2.gz JDOTWDVSFMMARX-XQQFMLRXSA-N 0 1 384.318 3.253 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1F ZINC000432339294 567151699 /nfs/dbraw/zinc/15/16/99/567151699.db2.gz SKUZJZVRXKMKTP-MRXNPFEDSA-N 0 1 393.256 3.492 20 0 GGADMN CCCc1noc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000566366511 567152214 /nfs/dbraw/zinc/15/22/14/567152214.db2.gz DCSVVWMJGCUJEK-UONOGXRCSA-N 0 1 394.269 3.085 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccc(C(N)=O)s1)c1ccccc1Cl ZINC000523342512 567152545 /nfs/dbraw/zinc/15/25/45/567152545.db2.gz CWHNOEHIWXLYMJ-AWEZNQCLSA-N 0 1 379.913 3.313 20 0 GGADMN CNC(=O)CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474267208 567152711 /nfs/dbraw/zinc/15/27/11/567152711.db2.gz OWEYXGOMIXHCAS-UHFFFAOYSA-N 0 1 383.208 3.306 20 0 GGADMN CCOc1c(Cl)cccc1CNCc1ccc(CS(=O)(=O)NC)cc1 ZINC000683766909 567153385 /nfs/dbraw/zinc/15/33/85/567153385.db2.gz WQFOIAPCYCOVOX-UHFFFAOYSA-N 0 1 382.913 3.078 20 0 GGADMN CCn1cc(Br)cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000523374650 567153695 /nfs/dbraw/zinc/15/36/95/567153695.db2.gz WUXDFIZKNCBGQM-INIZCTEOSA-N 0 1 382.277 3.442 20 0 GGADMN CN(CC[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000566368362 567154371 /nfs/dbraw/zinc/15/43/71/567154371.db2.gz WVBCDVIIPYVNDQ-GOSISDBHSA-N 0 1 389.293 3.397 20 0 GGADMN COC(=O)c1cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc(Br)c1F ZINC000432367538 567154646 /nfs/dbraw/zinc/15/46/46/567154646.db2.gz HMHOKKDSTKZLQY-UWVGGRQHSA-N 0 1 387.249 3.186 20 0 GGADMN C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)cs1 ZINC000683820287 567154930 /nfs/dbraw/zinc/15/49/30/567154930.db2.gz VBJHZUDTMJQQPW-GBIKHYSHSA-N 0 1 383.315 3.089 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000474282175 567155549 /nfs/dbraw/zinc/15/55/49/567155549.db2.gz YTFXCVFTIHRPHC-MAUKXSAKSA-N 0 1 382.287 3.325 20 0 GGADMN Cc1cc(C(C)(C)NC(=O)[C@@H]2CCCc3n[nH]nc32)ccc1Br ZINC000615063736 567155487 /nfs/dbraw/zinc/15/54/87/567155487.db2.gz JDWGDYCKYUNQMD-GFCCVEGCSA-N 0 1 377.286 3.347 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cnn(CC2CC2)c1 ZINC000636555636 567155939 /nfs/dbraw/zinc/15/59/39/567155939.db2.gz AECGUCACOPVNKT-UHFFFAOYSA-N 0 1 387.241 3.093 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000474282173 567156330 /nfs/dbraw/zinc/15/63/30/567156330.db2.gz YTFXCVFTIHRPHC-CRAIPNDOSA-N 0 1 382.287 3.325 20 0 GGADMN Cc1c(Br)ccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1F ZINC000615087637 567156802 /nfs/dbraw/zinc/15/68/02/567156802.db2.gz UIXUMBOWCOBSIX-GFCCVEGCSA-N 0 1 399.304 3.222 20 0 GGADMN COc1ccc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)c(Br)c1 ZINC000566424801 567156850 /nfs/dbraw/zinc/15/68/50/567156850.db2.gz RBBOEVAMCVGSOW-MRXNPFEDSA-N 0 1 381.314 3.194 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1Br ZINC000683836816 567156873 /nfs/dbraw/zinc/15/68/73/567156873.db2.gz LXHUUYUEWDDHIX-AWEZNQCLSA-N 0 1 399.304 3.224 20 0 GGADMN Cc1c(Br)scc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615086960 567157050 /nfs/dbraw/zinc/15/70/50/567157050.db2.gz PRSRDPIIGIPPSZ-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000566424127 567157408 /nfs/dbraw/zinc/15/74/08/567157408.db2.gz ITLNMVOMIQAXTN-INIZCTEOSA-N 0 1 388.309 3.292 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CC[C@H](c2ccncc2)C1 ZINC000566424127 567157418 /nfs/dbraw/zinc/15/74/18/567157418.db2.gz ITLNMVOMIQAXTN-INIZCTEOSA-N 0 1 388.309 3.292 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000566424131 567157507 /nfs/dbraw/zinc/15/75/07/567157507.db2.gz ITLNMVOMIQAXTN-MRXNPFEDSA-N 0 1 388.309 3.292 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](c2ccncc2)C1 ZINC000566424131 567157516 /nfs/dbraw/zinc/15/75/16/567157516.db2.gz ITLNMVOMIQAXTN-MRXNPFEDSA-N 0 1 388.309 3.292 20 0 GGADMN N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000498207064 567157785 /nfs/dbraw/zinc/15/77/85/567157785.db2.gz UFXOJKFTISFJCV-DGCLKSJQSA-N 0 1 394.249 3.296 20 0 GGADMN O[C@H](COCc1ccccc1Cl)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000523443714 567157633 /nfs/dbraw/zinc/15/76/33/567157633.db2.gz AFTSRCBZBMCEOF-GJZGRUSLSA-N 0 1 381.822 3.261 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615089645 567157846 /nfs/dbraw/zinc/15/78/46/567157846.db2.gz LWFYDPZLYUWHJI-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546777046 567158445 /nfs/dbraw/zinc/15/84/45/567158445.db2.gz YJDQTCGAKGEAEQ-STQMWFEESA-N 0 1 393.347 3.221 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(I)cc1)N1CC(C)C1 ZINC000566444364 567158823 /nfs/dbraw/zinc/15/88/23/567158823.db2.gz DUZZZOGXRSMHRJ-XJKSGUPXSA-N 0 1 398.288 3.295 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(N)=O ZINC000474318841 567159557 /nfs/dbraw/zinc/15/95/57/567159557.db2.gz RNWKHGORLYZWRG-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000498212005 567159868 /nfs/dbraw/zinc/15/98/68/567159868.db2.gz LWRVIJHINZNLME-YPMHNXCESA-N 0 1 394.249 3.296 20 0 GGADMN N[C@@H](CC(F)F)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000498212002 567160010 /nfs/dbraw/zinc/16/00/10/567160010.db2.gz LWRVIJHINZNLME-AAEUAGOBSA-N 0 1 394.249 3.296 20 0 GGADMN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1[nH]nc2c1CCCC2 ZINC000683882723 567160170 /nfs/dbraw/zinc/16/01/70/567160170.db2.gz CDEMHZPQTCLFKL-CYBMUJFWSA-N 0 1 389.297 3.060 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1conc1C(C)(C)N ZINC000566474544 567160749 /nfs/dbraw/zinc/16/07/49/567160749.db2.gz RWVDVTUWBVUHMO-VIFPVBQESA-N 0 1 384.249 3.131 20 0 GGADMN Brc1ccc2c(c1)ncnc2N1CCC[C@@H](N2CCOCC2)CC1 ZINC000566483033 567161213 /nfs/dbraw/zinc/16/12/13/567161213.db2.gz JWZFDNPVCSXWIC-OAHLLOKOSA-N 0 1 391.313 3.083 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1cccc(I)c1 ZINC000523533145 567161321 /nfs/dbraw/zinc/16/13/21/567161321.db2.gz ULZLFLDNRZGNSE-UHFFFAOYSA-N 0 1 395.168 3.370 20 0 GGADMN NC(=O)CC[C@H]1CCCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000589153657 567161578 /nfs/dbraw/zinc/16/15/78/567161578.db2.gz SUWCXXNRVGLLDN-GFCCVEGCSA-N 0 1 389.721 3.459 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CSc1nncn1CCc1cccs1 ZINC000566496114 567163487 /nfs/dbraw/zinc/16/34/87/567163487.db2.gz ATYCLBXWMRZJIQ-UHFFFAOYSA-N 0 1 377.495 3.083 20 0 GGADMN CC(C)(CO)C(C)(C)NCc1ncc(Br)cc1Br ZINC000474371503 567163555 /nfs/dbraw/zinc/16/35/55/567163555.db2.gz LMDMDOVAAVBXBM-UHFFFAOYSA-N 0 1 380.124 3.493 20 0 GGADMN NC(=O)c1cnccc1N1CCC(Nc2cccc(Br)c2)CC1 ZINC000683937292 567164229 /nfs/dbraw/zinc/16/42/29/567164229.db2.gz UYNZRZMWQDYQQO-UHFFFAOYSA-N 0 1 375.270 3.024 20 0 GGADMN C[C@H]1CN(C)CCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000523582119 567164623 /nfs/dbraw/zinc/16/46/23/567164623.db2.gz NJFYOHHDNURZRN-JTQLQIEISA-N 0 1 394.235 3.042 20 0 GGADMN O=C(COc1cccc(F)c1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000523703103 567166942 /nfs/dbraw/zinc/16/69/42/567166942.db2.gz KWYOUMHWDFKBDI-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000615184729 567167543 /nfs/dbraw/zinc/16/75/43/567167543.db2.gz IYHQBDPVSDYSDT-BZNIZROVSA-N 0 1 389.297 3.427 20 0 GGADMN Cc1cc(CNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)n[nH]1 ZINC000683986112 567167580 /nfs/dbraw/zinc/16/75/80/567167580.db2.gz OUUAGKGKJAIRLS-UHFFFAOYSA-N 0 1 392.301 3.267 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000454372949 567167704 /nfs/dbraw/zinc/16/77/04/567167704.db2.gz JEEMDRBOJCKGNC-FGTMMUONSA-N 0 1 395.341 3.026 20 0 GGADMN NCc1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)ccn1 ZINC000566559873 567168593 /nfs/dbraw/zinc/16/85/93/567168593.db2.gz BGWPQCPJNRMUAN-JOCQHMNTSA-N 0 1 378.245 3.118 20 0 GGADMN Cc1cc(CC(C)(C)NC(=O)[C@H]2CCCc3n[nH]nc32)ccc1Br ZINC000615198306 567169089 /nfs/dbraw/zinc/16/90/89/567169089.db2.gz CDSKOQUOSAMZEK-ZDUSSCGKSA-N 0 1 391.313 3.433 20 0 GGADMN C[NH+](C)CC1([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCC1 ZINC000546903935 567169950 /nfs/dbraw/zinc/16/99/50/567169950.db2.gz RXVFOXZAQSEYQU-UHFFFAOYSA-N 0 1 399.713 3.004 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c(C)cc1Br ZINC000474418683 567170095 /nfs/dbraw/zinc/17/00/95/567170095.db2.gz ZDOANMORNWLKTL-UHFFFAOYSA-N 0 1 381.255 3.138 20 0 GGADMN Cc1c(Cl)ccc2c1N(C(=O)c1ccc(NS(C)(=O)=O)nc1)CCC2 ZINC000636887748 567170538 /nfs/dbraw/zinc/17/05/38/567170538.db2.gz CWZITHNIVOEDPX-UHFFFAOYSA-N 0 1 379.869 3.008 20 0 GGADMN O=C(CNC(=O)c1c(F)cccc1Cl)Nc1cc(F)cc(Cl)c1O ZINC000474433722 567171095 /nfs/dbraw/zinc/17/10/95/567171095.db2.gz VSQBTUXKNCMMQZ-UHFFFAOYSA-N 0 1 375.158 3.346 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C)nn1-c1ccccn1 ZINC000589262042 567171452 /nfs/dbraw/zinc/17/14/52/567171452.db2.gz AXFUBWLMAPKUGX-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN Cc1ccc(C)c2sc(NS(=O)(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000589265250 567171874 /nfs/dbraw/zinc/17/18/74/567171874.db2.gz BNZKUIUCZLZDJP-UHFFFAOYSA-N 0 1 376.459 3.485 20 0 GGADMN O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1cc(F)cc(Cl)c1O ZINC000474451903 567172810 /nfs/dbraw/zinc/17/28/10/567172810.db2.gz ZXYPFPGIBWBVRQ-UHFFFAOYSA-N 0 1 386.210 3.276 20 0 GGADMN CC(C)(CNC(=O)c1ccc(Br)cn1)N1CCc2ccccc2C1 ZINC000589303039 567172962 /nfs/dbraw/zinc/17/29/62/567172962.db2.gz BWAXDLNWCUZQAV-UHFFFAOYSA-N 0 1 388.309 3.411 20 0 GGADMN CC[C@H](NCc1cc(Br)c2c(c1)OCCCO2)[C@@H](O)C(F)(F)F ZINC000498368709 567172959 /nfs/dbraw/zinc/17/29/59/567172959.db2.gz BZBUFKOZJCJLBJ-SMDDNHRTSA-N 0 1 398.219 3.402 20 0 GGADMN O=C(CCn1cc(Br)ccc1=O)Nc1cc(F)cc(Cl)c1O ZINC000474445593 567173100 /nfs/dbraw/zinc/17/31/00/567173100.db2.gz MRLSQPLOEBQRNV-UHFFFAOYSA-N 0 1 389.608 3.138 20 0 GGADMN CC(C)Cn1nccc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000566622652 567173176 /nfs/dbraw/zinc/17/31/76/567173176.db2.gz XDIODEWSAPQMNU-UHFFFAOYSA-N 0 1 376.258 3.108 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c1Br ZINC000684059880 567173184 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CS(=O)(=O)Nc1ccc(C(=O)N2CCCCc3c(Cl)cccc32)cn1 ZINC000637115636 567178623 /nfs/dbraw/zinc/17/86/23/567178623.db2.gz PKFJQBXQUVEFKP-UHFFFAOYSA-N 0 1 379.869 3.090 20 0 GGADMN C[C@@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000566687186 567179415 /nfs/dbraw/zinc/17/94/15/567179415.db2.gz XEBIXVQCYOAGFB-PBHICJAKSA-N 0 1 376.298 3.400 20 0 GGADMN O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cccc(Br)c1O ZINC000615344828 567179402 /nfs/dbraw/zinc/17/94/02/567179402.db2.gz VVVOQOJASMEPIZ-SNVBAGLBSA-N 0 1 395.219 3.159 20 0 GGADMN C[C@H](NS(=O)(=O)c1cccc(Br)c1)[C@@H](c1ccccc1)N(C)C ZINC000474572342 567179945 /nfs/dbraw/zinc/17/99/45/567179945.db2.gz DECXEIUEPZASMC-GUYCJALGSA-N 0 1 397.338 3.419 20 0 GGADMN O=C(CCc1cc(Cl)cs1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000474578731 567180155 /nfs/dbraw/zinc/18/01/55/567180155.db2.gz PPISICGCYNHSSA-UHFFFAOYSA-N 0 1 376.869 3.348 20 0 GGADMN Cc1nc(CS(=O)(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cs1 ZINC000684105393 567180186 /nfs/dbraw/zinc/18/01/86/567180186.db2.gz 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CCN1C[C@H](C)N(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C ZINC000498556994 567186929 /nfs/dbraw/zinc/18/69/29/567186929.db2.gz SDGXCPQZDSOSDP-STQMWFEESA-N 0 1 378.314 3.414 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000498553610 567186999 /nfs/dbraw/zinc/18/69/99/567186999.db2.gz GYBOTBBSBOIYKE-KBPBESRZSA-N 0 1 391.313 3.190 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C ZINC000498571721 567187792 /nfs/dbraw/zinc/18/77/92/567187792.db2.gz WRKQBLHGYQSCCA-STQMWFEESA-N 0 1 378.314 3.414 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cccc(C)c2I)C[C@H]1C ZINC000498574380 567188226 /nfs/dbraw/zinc/18/82/26/567188226.db2.gz GUAKWXBUFNGRBQ-CHWSQXEVSA-N 0 1 386.277 3.154 20 0 GGADMN O=c1[nH]cc(Br)cc1Cc1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000547177875 567188369 /nfs/dbraw/zinc/18/83/69/567188369.db2.gz CPWJXYABZYWCMP-UHFFFAOYSA-N 0 1 388.181 3.174 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@@H]1C ZINC000498569910 567188746 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377.330 3.279 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)n[nH]1 ZINC000637370949 567195146 /nfs/dbraw/zinc/19/51/46/567195146.db2.gz VJBHPHIGFBEXST-RQJHMYQMSA-N 0 1 388.216 3.275 20 0 GGADMN C[C@](N)(C(=O)N1CCc2cccc(F)c2C1)c1ccc(Br)cc1 ZINC000566854557 567195979 /nfs/dbraw/zinc/19/59/79/567195979.db2.gz YRHXQGPKQKLVIZ-GOSISDBHSA-N 0 1 377.257 3.347 20 0 GGADMN CC1=CCN(CCNC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000547291217 567196927 /nfs/dbraw/zinc/19/69/27/567196927.db2.gz HQGILRIGSFPLOL-UHFFFAOYSA-N 0 1 383.355 3.451 20 0 GGADMN O=C(NCCN1CC=CCC1)N[C@H]1CSc2ccc(Br)cc21 ZINC000474758427 567197074 /nfs/dbraw/zinc/19/70/74/567197074.db2.gz PTMFKRCFAQDWAE-AWEZNQCLSA-N 0 1 382.327 3.157 20 0 GGADMN Cc1nc(C(=O)N2CCN(C)CC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000498737695 567197184 /nfs/dbraw/zinc/19/71/84/567197184.db2.gz NZHLKRCJFDSDRL-NSHDSACASA-N 0 1 382.295 3.049 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(-c3cccc(Br)c3)no2)n[nH]1 ZINC000615668593 567198296 /nfs/dbraw/zinc/19/82/96/567198296.db2.gz LHVFZOHSXATAPU-UHFFFAOYSA-N 0 1 390.241 3.276 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc(-c2ccc(Br)cc2)no1 ZINC000615668461 567198645 /nfs/dbraw/zinc/19/86/45/567198645.db2.gz ICKHPEMDRQTLIW-UHFFFAOYSA-N 0 1 388.225 3.030 20 0 GGADMN CN(Cc1ccccc1)C(=O)CN=c1ccc2cccc(Br)c2[nH]1 ZINC000474774675 567199198 /nfs/dbraw/zinc/19/91/98/567199198.db2.gz KZVLMIZJULGXOI-UHFFFAOYSA-N 0 1 384.277 3.490 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000524443742 567199642 /nfs/dbraw/zinc/19/96/42/567199642.db2.gz PSVGWFBYPCXXLR-UHFFFAOYSA-N 0 1 376.331 3.468 20 0 GGADMN NC(=O)c1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cn1 ZINC000474794480 567200376 /nfs/dbraw/zinc/20/03/76/567200376.db2.gz JMKJYIXACRXOKA-UHFFFAOYSA-N 0 1 388.187 3.252 20 0 GGADMN Cn1cc(CNCc2cc(Br)cc3c2OCC3)c(-c2ccncc2)n1 ZINC000547317408 567200402 /nfs/dbraw/zinc/20/04/02/567200402.db2.gz HULBMWAMKRUUOD-UHFFFAOYSA-N 0 1 399.292 3.469 20 0 GGADMN Fc1ccc(I)c(F)c1CNCCc1cscn1 ZINC000474803338 567201190 /nfs/dbraw/zinc/20/11/90/567201190.db2.gz ALXFYHKSOLKUNM-UHFFFAOYSA-N 0 1 380.201 3.358 20 0 GGADMN C[NH2+][C@H](C(=O)NC[C@H]([NH3+])c1ccccc1OC)c1cccc(Cl)c1Cl ZINC000659300274 567201793 /nfs/dbraw/zinc/20/17/93/567201793.db2.gz OPZAVJFGKCXPBB-YOEHRIQHSA-N 0 1 382.291 3.079 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1[nH]nc2c1CCCC2 ZINC000684345197 567202847 /nfs/dbraw/zinc/20/28/47/567202847.db2.gz PBRJEFHLJXTHHV-XHDPSFHLSA-N 0 1 378.245 3.476 20 0 GGADMN C[C@@](O)(C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000547346122 567203294 /nfs/dbraw/zinc/20/32/94/567203294.db2.gz BEFOFBPTRWVBBZ-GOEBONIOSA-N 0 1 381.822 3.105 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000566923968 567203447 /nfs/dbraw/zinc/20/34/47/567203447.db2.gz QXKQUTRGFWIMSS-INIZCTEOSA-N 0 1 396.329 3.476 20 0 GGADMN C[C@](O)(C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000547346123 567203551 /nfs/dbraw/zinc/20/35/51/567203551.db2.gz BEFOFBPTRWVBBZ-HOCLYGCPSA-N 0 1 381.822 3.105 20 0 GGADMN CCc1c(C(=O)NCc2cn[nH]c2C)cnn1-c1ccc(Br)cc1 ZINC000547367296 567204323 /nfs/dbraw/zinc/20/43/23/567204323.db2.gz HCQLLBWPYITUKR-UHFFFAOYSA-N 0 1 388.269 3.159 20 0 GGADMN NC(=O)c1ccccc1N1CC[C@H](NCc2c(F)cccc2Br)C1 ZINC000684378722 567205571 /nfs/dbraw/zinc/20/55/71/567205571.db2.gz JBTMAOCJLNPQIT-LBPRGKRZSA-N 0 1 392.272 3.056 20 0 GGADMN CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CCCN(C)C1 ZINC000498870728 567206117 /nfs/dbraw/zinc/20/61/17/567206117.db2.gz GFGRQOUJUVNPMR-MRXNPFEDSA-N 0 1 381.314 3.355 20 0 GGADMN CN(C)C(=O)NCCN(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474877967 567206565 /nfs/dbraw/zinc/20/65/65/567206565.db2.gz NZYTYWPOWKRILO-UHFFFAOYSA-N 0 1 398.223 3.051 20 0 GGADMN O=C(Cc1ccc(Br)cc1F)N1CCNC[C@H]1c1ccccc1 ZINC000659323704 567206631 /nfs/dbraw/zinc/20/66/31/567206631.db2.gz ZMXAEIFLHWCUGM-KRWDZBQOSA-N 0 1 377.257 3.304 20 0 GGADMN COC[C@@H](N=c1[nH]n2cc(-c3ccc(Cl)cc3)nc2s1)[C@H]1CCCO1 ZINC000432943896 567206826 /nfs/dbraw/zinc/20/68/26/567206826.db2.gz KAHFGAQXXDDWNX-HUUCEWRRSA-N 0 1 378.885 3.139 20 0 GGADMN CN(C)C(=O)NCCN(C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474878776 567206986 /nfs/dbraw/zinc/20/69/86/567206986.db2.gz QQSGWWNLVGJQCJ-UHFFFAOYSA-N 0 1 382.224 3.171 20 0 GGADMN Cc1nnc(COCC(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000615816609 567207027 /nfs/dbraw/zinc/20/70/27/567207027.db2.gz CBYSBVWWLNFOJG-SECBINFHSA-N 0 1 379.873 3.112 20 0 GGADMN C[C@@H](Sc1nncn1C)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615818538 567207627 /nfs/dbraw/zinc/20/76/27/567207627.db2.gz XDSKZJROECJISB-VHSXEESVSA-N 0 1 378.889 3.045 20 0 GGADMN Cc1csc(=O)n1CCC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615814479 567207959 /nfs/dbraw/zinc/20/79/59/567207959.db2.gz UYQMESRMAJACDN-LLVKDONJSA-N 0 1 378.885 3.358 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)c1 ZINC000524640268 567208077 /nfs/dbraw/zinc/20/80/77/567208077.db2.gz GPHDARFWNJVODE-UHFFFAOYSA-N 0 1 391.779 3.214 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000684432552 567208105 /nfs/dbraw/zinc/20/81/05/567208105.db2.gz INHRBGCGUCXUJC-IWSPIJDZSA-N 0 1 384.303 3.107 20 0 GGADMN O=C(CNC[C@@H]1CCCO1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000659338308 567208206 /nfs/dbraw/zinc/20/82/06/567208206.db2.gz OMUHTMADTPWCNE-LBPRGKRZSA-N 0 1 387.292 3.219 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CS(=O)(=O)C1CCCC1 ZINC000615816725 567208301 /nfs/dbraw/zinc/20/83/01/567208301.db2.gz PAVZPQYXAZNULY-LLVKDONJSA-N 0 1 383.901 3.093 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615815131 567208322 /nfs/dbraw/zinc/20/83/22/567208322.db2.gz CTPHCRNFRMYVBK-LBPRGKRZSA-N 0 1 385.917 3.341 20 0 GGADMN COC(=O)C[C@]1(NCc2ccc(Br)cc2C(F)(F)F)CCOC1 ZINC000474922835 567209108 /nfs/dbraw/zinc/20/91/08/567209108.db2.gz IIAHPASNEUCFDP-CQSZACIVSA-N 0 1 396.203 3.280 20 0 GGADMN CCOC(=O)[C@H](C)[C@@H](C)NCc1c(F)ccc(I)c1F ZINC000474922962 567210101 /nfs/dbraw/zinc/21/01/01/567210101.db2.gz IYNZOPTVFVAYKI-RKDXNWHRSA-N 0 1 397.203 3.247 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C ZINC000498921465 567210769 /nfs/dbraw/zinc/21/07/69/567210769.db2.gz DOGCBDOUJAAIGF-STQMWFEESA-N 0 1 379.302 3.414 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000684505915 567211492 /nfs/dbraw/zinc/21/14/92/567211492.db2.gz DTASDOYOZYYBDJ-LURJTMIESA-N 0 1 377.164 3.385 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C ZINC000498916864 567211401 /nfs/dbraw/zinc/21/14/01/567211401.db2.gz JHJAARFDOGULHB-MNOVXSKESA-N 0 1 385.331 3.475 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000590166944 567211808 /nfs/dbraw/zinc/21/18/08/567211808.db2.gz AACOHYGEKQFBGZ-IRXDYDNUSA-N 0 1 380.330 3.431 20 0 GGADMN COc1ccc(Br)c(CNC(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000590159205 567212225 /nfs/dbraw/zinc/21/22/25/567212225.db2.gz JYEPSWVSHJKRFU-UHFFFAOYSA-N 0 1 384.318 3.083 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cc(Br)cs3)no2)C[C@@H]1C ZINC000498911673 567212244 /nfs/dbraw/zinc/21/22/44/567212244.db2.gz JLZDCTYPPMYZNN-WDEREUQCSA-N 0 1 385.331 3.475 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNCc2sccc2Br)c1 ZINC000567042734 567212423 /nfs/dbraw/zinc/21/24/23/567212423.db2.gz SYTHAWZIYLYAGR-ZDUSSCGKSA-N 0 1 384.295 3.243 20 0 GGADMN Cc1nc(CC(=O)NC2(c3ccccc3Br)CCCCC2)n[nH]1 ZINC000615878623 567212672 /nfs/dbraw/zinc/21/26/72/567212672.db2.gz SRKCEQRLHGPMCI-UHFFFAOYSA-N 0 1 377.286 3.394 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(F)c(Br)c1 ZINC000590192389 567212931 /nfs/dbraw/zinc/21/29/31/567212931.db2.gz BSIDUFMXELESKL-SNVBAGLBSA-N 0 1 386.265 3.007 20 0 GGADMN COCCN1CC[C@H](N[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000498922113 567213357 /nfs/dbraw/zinc/21/33/57/567213357.db2.gz BZPQRKZERIZQRT-WMZOPIPTSA-N 0 1 379.298 3.442 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000590192336 567213699 /nfs/dbraw/zinc/21/36/99/567213699.db2.gz BEVIUWNAFYJRMU-GHMZBOCLSA-N 0 1 388.281 3.109 20 0 GGADMN C[C@](N)(C(=O)N1CCC(c2ccncc2)CC1)c1ccc(Br)cc1 ZINC000567046655 567214008 /nfs/dbraw/zinc/21/40/08/567214008.db2.gz MRHWLDDIBYBWEP-LJQANCHMSA-N 0 1 388.309 3.424 20 0 GGADMN CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000524792819 567214894 /nfs/dbraw/zinc/21/48/94/567214894.db2.gz PRKPWVCALRQGMF-SNVBAGLBSA-N 0 1 375.694 3.268 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000567073850 567215712 /nfs/dbraw/zinc/21/57/12/567215712.db2.gz YLHPNDDRROISRG-KDOFPFPSSA-N 0 1 389.297 3.211 20 0 GGADMN Cc1nc(CCN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c(C)o1 ZINC000547503041 567215838 /nfs/dbraw/zinc/21/58/38/567215838.db2.gz SRPFDBLPHDUEAT-OAHLLOKOSA-N 0 1 399.310 3.105 20 0 GGADMN C[C@H](NCC1(O)CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553172 567216123 /nfs/dbraw/zinc/21/61/23/567216123.db2.gz LDSHUIDATUFYDC-NSHDSACASA-N 0 1 395.352 3.377 20 0 GGADMN Cc1csc(CCN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000684550685 567216143 /nfs/dbraw/zinc/21/61/43/567216143.db2.gz ZOBAPAWEMZKKDI-VIFPVBQESA-N 0 1 394.349 3.299 20 0 GGADMN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000474981567 567216482 /nfs/dbraw/zinc/21/64/82/567216482.db2.gz VSJOOQMCFODDLI-UHFFFAOYSA-N 0 1 394.254 3.104 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000567088821 567217406 /nfs/dbraw/zinc/21/74/06/567217406.db2.gz ZZRHAWBURCEFJS-LBPRGKRZSA-N 0 1 398.276 3.465 20 0 GGADMN CCN=c1[nH]cc(C(=O)Nc2cc(Cl)cc(Br)c2O)s1 ZINC000433065242 567219072 /nfs/dbraw/zinc/21/90/72/567219072.db2.gz DGHYWMJKRKMCRJ-UHFFFAOYSA-N 0 1 376.663 3.371 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000433086283 567220318 /nfs/dbraw/zinc/22/03/18/567220318.db2.gz ZUTKPLATWBFUFO-ZIAGYGMSSA-N 0 1 384.237 3.371 20 0 GGADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000567116831 567220466 /nfs/dbraw/zinc/22/04/66/567220466.db2.gz NUHRGYJITPVSBE-ZDUSSCGKSA-N 0 1 382.309 3.198 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000433082400 567220719 /nfs/dbraw/zinc/22/07/19/567220719.db2.gz KAJQZHIVBVPKOX-ZIAGYGMSSA-N 0 1 384.237 3.371 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000433082399 567220868 /nfs/dbraw/zinc/22/08/68/567220868.db2.gz KAJQZHIVBVPKOX-UONOGXRCSA-N 0 1 384.237 3.371 20 0 GGADMN O=C(CSc1cccc(Br)c1)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433083536 567221217 /nfs/dbraw/zinc/22/12/17/567221217.db2.gz OPBHYZGROHOOMA-UHFFFAOYSA-N 0 1 390.266 3.360 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)C[C@H](O)Cc1ccccc1 ZINC000433072506 567221267 /nfs/dbraw/zinc/22/12/67/567221267.db2.gz OPAFVDLHNCWNOL-KBXCAEBGSA-N 0 1 391.309 3.312 20 0 GGADMN CSc1n[nH]c(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)n1 ZINC000499041422 567221479 /nfs/dbraw/zinc/22/14/79/567221479.db2.gz COKPNEWYBHPUFD-UHFFFAOYSA-N 0 1 376.873 3.164 20 0 GGADMN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCCN1CCCOCC1 ZINC000455005947 567221765 /nfs/dbraw/zinc/22/17/65/567221765.db2.gz VRRFGAADQCUOEH-CYBMUJFWSA-N 0 1 386.323 3.344 20 0 GGADMN CSC1(CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000433090438 567222349 /nfs/dbraw/zinc/22/23/49/567222349.db2.gz KYJUGHLUAQXNLM-GFCCVEGCSA-N 0 1 376.341 3.153 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433089783 567222403 /nfs/dbraw/zinc/22/24/03/567222403.db2.gz JFUIQVQSVYEDRJ-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN CN(CCOc1c(Br)cccc1Br)Cc1cn[nH]c1 ZINC000684619364 567222451 /nfs/dbraw/zinc/22/24/51/567222451.db2.gz ROPYFHBQORQSGL-UHFFFAOYSA-N 0 1 389.091 3.446 20 0 GGADMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(Cl)cc(Cl)c1N ZINC000637870758 567223900 /nfs/dbraw/zinc/22/39/00/567223900.db2.gz JLMXVWCJUNWJER-JTQLQIEISA-N 0 1 388.320 3.416 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sc(CC(C)C)nc2C)c1 ZINC000590406755 567224137 /nfs/dbraw/zinc/22/41/37/567224137.db2.gz RMUJANLFWCVZEG-UHFFFAOYSA-N 0 1 382.507 3.402 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)N(C)[C@@H]3CCCN(C)C3)c2c1C ZINC000525006814 567224354 /nfs/dbraw/zinc/22/43/54/567224354.db2.gz CGDPUSBYESBTBB-CQSZACIVSA-N 0 1 378.567 3.261 20 0 GGADMN Fc1ccc(I)c(F)c1CN[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000475088338 567224346 /nfs/dbraw/zinc/22/43/46/567224346.db2.gz MRVDKCPDYFHBIB-WQHBLYJGSA-N 0 1 379.188 3.227 20 0 GGADMN CC(C)(C)Oc1nc(N2CCCC[C@@H]2c2nnc[nH]2)ncc1Br ZINC000567190545 567224781 /nfs/dbraw/zinc/22/47/81/567224781.db2.gz ZHPWSACTLONEIJ-LLVKDONJSA-N 0 1 381.278 3.266 20 0 GGADMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCc1ccc(Br)s1 ZINC000637931317 567225420 /nfs/dbraw/zinc/22/54/20/567225420.db2.gz IZEVAWARCPOTQJ-XHDPSFHLSA-N 0 1 383.311 3.059 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)Nc2cc(C)ccc2Br)CC1 ZINC000455031651 567225817 /nfs/dbraw/zinc/22/58/17/567225817.db2.gz BFSVVYPCAYNFDA-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN CCOC(=O)[C@](C)(O)CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000475103357 567226074 /nfs/dbraw/zinc/22/60/74/567226074.db2.gz XQMMDTQONOICBO-TZMCWYRMSA-N 0 1 398.219 3.346 20 0 GGADMN CO[C@@H](C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CCC1 ZINC000659788484 567226844 /nfs/dbraw/zinc/22/68/44/567226844.db2.gz IYZCHVRRIZBUKX-BBWFWOEESA-N 0 1 382.298 3.364 20 0 GGADMN O=C([O-])C1(C[N@H+]2CCc3cc(Br)c(Br)cc3C2)CC1 ZINC000659804430 567226923 /nfs/dbraw/zinc/22/69/23/567226923.db2.gz ZNCYBUSRMICTTM-UHFFFAOYSA-N 0 1 389.087 3.435 20 0 GGADMN Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000567228843 567227787 /nfs/dbraw/zinc/22/77/87/567227787.db2.gz AZLXFYURZVFRCG-SNVBAGLBSA-N 0 1 375.226 3.252 20 0 GGADMN CN(C(=O)c1cnc(CN)nc1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000637979714 567227857 /nfs/dbraw/zinc/22/78/57/567227857.db2.gz GMRWARWBZIWKEN-CYBMUJFWSA-N 0 1 393.310 3.007 20 0 GGADMN COc1ccc(Br)cc1CN(C)CCc1nc(C)c(C(C)=O)[nH]1 ZINC000659826315 567228293 /nfs/dbraw/zinc/22/82/93/567228293.db2.gz FQQYLCSDHOEYIZ-UHFFFAOYSA-N 0 1 380.286 3.366 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)c1ccc(Cl)s1 ZINC000590499258 567228810 /nfs/dbraw/zinc/22/88/10/567228810.db2.gz SEQPXPPWDBFCJT-ZJUUUORDSA-N 0 1 376.869 3.274 20 0 GGADMN CC[C@@H](CC(F)F)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000659823370 567228811 /nfs/dbraw/zinc/22/88/11/567228811.db2.gz HICZMALYPPZZHB-AWEZNQCLSA-N 0 1 378.460 3.204 20 0 GGADMN Cc1cc(CNC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)n[nH]1 ZINC000684698288 567228751 /nfs/dbraw/zinc/22/87/51/567228751.db2.gz HUTCHWNLCAKZKQ-UHFFFAOYSA-N 0 1 393.270 3.321 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)Nc1c(C(N)=O)[nH]nc1C(C)C ZINC000616161596 567229522 /nfs/dbraw/zinc/22/95/22/567229522.db2.gz INCLHTCWSRBAGL-UHFFFAOYSA-N 0 1 383.221 3.094 20 0 GGADMN CC(C)(C)c1nc(CN2CCN(c3cccc(Br)c3)CC2)n[nH]1 ZINC000433189376 567229581 /nfs/dbraw/zinc/22/95/81/567229581.db2.gz SEAPEUNWYCWSDJ-UHFFFAOYSA-N 0 1 378.318 3.187 20 0 GGADMN N[C@H](C(=O)Nc1nnc(CC(F)(F)F)s1)c1ccc(C(F)(F)F)cc1 ZINC000638029411 567231282 /nfs/dbraw/zinc/23/12/82/567231282.db2.gz PAHKOWMDLJAYNU-VIFPVBQESA-N 0 1 384.305 3.300 20 0 GGADMN COC[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCCO1 ZINC000433195307 567231374 /nfs/dbraw/zinc/23/13/74/567231374.db2.gz TVJAJZRHVJAMKN-QZTJIDSGSA-N 0 1 394.313 3.227 20 0 GGADMN O=[S@@](CCN(CCO)[C@H]1CCCSC1)c1cc(Cl)ccc1Cl ZINC000433198605 567231467 /nfs/dbraw/zinc/23/14/67/567231467.db2.gz ZBJPJJLFOOWVCR-XMHCIUCPSA-N 0 1 382.378 3.291 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](NCc2c(F)ccc(I)c2F)C1 ZINC000475200864 567231545 /nfs/dbraw/zinc/23/15/45/567231545.db2.gz FNWWDHSWXYZMSJ-DTWKUNHWSA-N 0 1 395.187 3.001 20 0 GGADMN CCn1cccc(CNCc2cnn(-c3ccc(Br)cc3)c2)c1=O ZINC000433200302 567231805 /nfs/dbraw/zinc/23/18/05/567231805.db2.gz PQIKGPPTMOQPFE-UHFFFAOYSA-N 0 1 387.281 3.106 20 0 GGADMN COCCN(CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCCSC1 ZINC000433197155 567232044 /nfs/dbraw/zinc/23/20/44/567232044.db2.gz QASCJIQPXSWHBS-AWEZNQCLSA-N 0 1 388.936 3.282 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2ccc(I)cc2)C[C@@H]1C ZINC000499240647 567232294 /nfs/dbraw/zinc/23/22/94/567232294.db2.gz BFQMGCYZFDRHQW-RYUDHWBXSA-N 0 1 387.265 3.238 20 0 GGADMN CN(C)C(=O)NCCN(C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000499230684 567232427 /nfs/dbraw/zinc/23/24/27/567232427.db2.gz GCEWVYHGOUHCOI-UHFFFAOYSA-N 0 1 380.286 3.412 20 0 GGADMN CN(Cc1cnn2cc(Br)cnc12)[C@@H](CCO)c1ccccc1 ZINC000638087413 567232920 /nfs/dbraw/zinc/23/29/20/567232920.db2.gz SITWAFBWFWJCPJ-INIZCTEOSA-N 0 1 375.270 3.047 20 0 GGADMN CC(=O)Nc1ccc(CNCc2cnc3c(C)cc(Br)cn23)cn1 ZINC000433211363 567233874 /nfs/dbraw/zinc/23/38/74/567233874.db2.gz YNCHDMITHXFKSA-UHFFFAOYSA-N 0 1 388.269 3.048 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(I)c2)C[C@H]1C ZINC000499247785 567233928 /nfs/dbraw/zinc/23/39/28/567233928.db2.gz PWZXCHWADZCXQC-VXGBXAGGSA-N 0 1 387.265 3.238 20 0 GGADMN Cc1nc([C@H]2CCCN(c3ncc(Br)c(OC(C)(C)C)n3)C2)n[nH]1 ZINC000567299968 567234905 /nfs/dbraw/zinc/23/49/05/567234905.db2.gz OQDOPKNBUWCOHM-NSHDSACASA-N 0 1 395.305 3.227 20 0 GGADMN Cc1nnc([C@H]2CCCN(c3ncc(Br)c(OC(C)(C)C)n3)C2)[nH]1 ZINC000567299968 567234909 /nfs/dbraw/zinc/23/49/09/567234909.db2.gz OQDOPKNBUWCOHM-NSHDSACASA-N 0 1 395.305 3.227 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C ZINC000499272642 567235359 /nfs/dbraw/zinc/23/53/59/567235359.db2.gz LSXOGEOPZXQJBI-UHFFFAOYSA-N 0 1 385.873 3.088 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC000499274466 567235505 /nfs/dbraw/zinc/23/55/05/567235505.db2.gz QXZFAZQOQSEGAD-UHFFFAOYSA-N 0 1 379.825 3.112 20 0 GGADMN O=C1[C@@H](N2CCC([C@@H]3CCCO3)CC2)CCN1c1cccc(Br)c1 ZINC000433233922 567235675 /nfs/dbraw/zinc/23/56/75/567235675.db2.gz IOYQBJWJRGENJG-ROUUACIJSA-N 0 1 393.325 3.445 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN(C)CCc1ccc(Br)cc1 ZINC000590602502 567235607 /nfs/dbraw/zinc/23/56/07/567235607.db2.gz NSXPYMMWIQKBKJ-UHFFFAOYSA-N 0 1 380.286 3.332 20 0 GGADMN CCOC(=O)c1sc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C ZINC000525212412 567235775 /nfs/dbraw/zinc/23/57/75/567235775.db2.gz NEGGPNCSFPKBCY-UHFFFAOYSA-N 0 1 379.381 3.451 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cncc(F)c1 ZINC000433262418 567236101 /nfs/dbraw/zinc/23/61/01/567236101.db2.gz QKJOVPCHINLXNW-MEDUHNTESA-N 0 1 378.245 3.439 20 0 GGADMN Cc1cc(Br)cc(NC(=O)[C@H](N)[C@H](C)OCc2ccccc2)c1N ZINC000638171150 567236270 /nfs/dbraw/zinc/23/62/70/567236270.db2.gz UZGNLAANRSNBNK-YVEFUNNKSA-N 0 1 392.297 3.211 20 0 GGADMN COCC1(C)CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433259407 567236473 /nfs/dbraw/zinc/23/64/73/567236473.db2.gz WOHGWAXPMWPUEV-MRXNPFEDSA-N 0 1 381.314 3.303 20 0 GGADMN C[N@@H+](CCCCNC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CC1 ZINC000455132877 567237000 /nfs/dbraw/zinc/23/70/00/567237000.db2.gz FESPZOLSJAJZKV-UHFFFAOYSA-N 0 1 379.917 3.276 20 0 GGADMN CN(C[C@@H]1CCCC[C@@H]1O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433257637 567237110 /nfs/dbraw/zinc/23/71/10/567237110.db2.gz DWMQDKGUXBGSLL-JQFCIGGWSA-N 0 1 381.314 3.037 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2O)cc1 ZINC000525239023 567237425 /nfs/dbraw/zinc/23/74/25/567237425.db2.gz QWNPCEINUIVYOP-UHFFFAOYSA-N 0 1 386.267 3.144 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000590657133 567237614 /nfs/dbraw/zinc/23/76/14/567237614.db2.gz DULWHZPBPAMLPQ-KOLCDFICSA-N 0 1 392.091 3.038 20 0 GGADMN COc1cc(OC)c(NC(=O)N2CCN(C3CCC3)CC2)cc1Br ZINC000547674898 567238181 /nfs/dbraw/zinc/23/81/81/567238181.db2.gz PFAHELCPVDVNCJ-UHFFFAOYSA-N 0 1 398.301 3.168 20 0 GGADMN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659936711 567239448 /nfs/dbraw/zinc/23/94/48/567239448.db2.gz SFEUCNHXVZZUKU-GXTWGEPZSA-N 0 1 391.313 3.067 20 0 GGADMN C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)Oc1cccc(Br)c1 ZINC000499344867 567240212 /nfs/dbraw/zinc/24/02/12/567240212.db2.gz DAOUIYGAEXMPJU-GFCCVEGCSA-N 0 1 388.265 3.452 20 0 GGADMN CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000475317846 567240107 /nfs/dbraw/zinc/24/01/07/567240107.db2.gz LKXGYHAYIJKBAH-CXAGYDPISA-N 0 1 398.345 3.201 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CCN(C(C)C)CC3)c2o1 ZINC000455161938 567240756 /nfs/dbraw/zinc/24/07/56/567240756.db2.gz FQCHISHARHGICN-UHFFFAOYSA-N 0 1 381.274 3.457 20 0 GGADMN O=C1CCCCCN1CCCNCc1nc2cc(Br)ccc2o1 ZINC000638298822 567241031 /nfs/dbraw/zinc/24/10/31/567241031.db2.gz TWQSJSGSUOUWRH-UHFFFAOYSA-N 0 1 380.286 3.473 20 0 GGADMN O=C(CN1CCCC2(CCOCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659954818 567241617 /nfs/dbraw/zinc/24/16/17/567241617.db2.gz LQKBBGYYGGRLTA-UHFFFAOYSA-N 0 1 392.297 3.401 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCSc2ccccc2F)c1 ZINC000684878508 567241729 /nfs/dbraw/zinc/24/17/29/567241729.db2.gz LRJHBMAPWGVWFS-UHFFFAOYSA-N 0 1 383.466 3.446 20 0 GGADMN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCc1nc[nH]n1 ZINC000684868527 567242027 /nfs/dbraw/zinc/24/20/27/567242027.db2.gz ABJKHFWKDHHXQF-UHFFFAOYSA-N 0 1 380.235 3.438 20 0 GGADMN O=C(CN1CC[C@@H](Cc2ccc(Br)cc2)C1)NCc1cccnc1 ZINC000433311058 567242233 /nfs/dbraw/zinc/24/22/33/567242233.db2.gz KVPJPFXEVNKSTD-INIZCTEOSA-N 0 1 388.309 3.025 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000475362724 567242523 /nfs/dbraw/zinc/24/25/23/567242523.db2.gz NJXFUBUVFWXXHT-JHJVBQTASA-N 0 1 386.359 3.348 20 0 GGADMN COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1C ZINC000590739146 567243773 /nfs/dbraw/zinc/24/37/73/567243773.db2.gz UIMNXZMCLAGQSE-UHFFFAOYSA-N 0 1 379.459 3.163 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCN2CCCC[C@@H]2C1 ZINC000475368060 567243951 /nfs/dbraw/zinc/24/39/51/567243951.db2.gz ZLLGIGYYWOELMZ-JHJVBQTASA-N 0 1 384.343 3.246 20 0 GGADMN Cc1nnsc1CNC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000638368209 567244376 /nfs/dbraw/zinc/24/43/76/567244376.db2.gz ZLYZHQMXUKXHTK-NHYWBVRUSA-N 0 1 384.908 3.191 20 0 GGADMN CCOCc1ccc(CNCc2cnn3cc(Br)cnc23)cc1 ZINC000638354442 567244434 /nfs/dbraw/zinc/24/44/34/567244434.db2.gz MWQHHDSJFNQADT-UHFFFAOYSA-N 0 1 375.270 3.318 20 0 GGADMN CC[C@H](CC(F)F)CN1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000659991762 567244390 /nfs/dbraw/zinc/24/43/90/567244390.db2.gz BPZLNJNCGVWZIA-LLVKDONJSA-N 0 1 393.276 3.051 20 0 GGADMN Cc1nnsc1CNC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000638368207 567244488 /nfs/dbraw/zinc/24/44/88/567244488.db2.gz ZLYZHQMXUKXHTK-ABAIWWIYSA-N 0 1 384.908 3.191 20 0 GGADMN C[C@H]1CN(c2ccc(CNCc3cc(Cl)cc(Cl)c3N)cn2)CCO1 ZINC000638368019 567244688 /nfs/dbraw/zinc/24/46/88/567244688.db2.gz SEXILGKBVNHQKF-LBPRGKRZSA-N 0 1 381.307 3.486 20 0 GGADMN CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000455198242 567245052 /nfs/dbraw/zinc/24/50/52/567245052.db2.gz UVNMGGGDOHIJHF-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000455198242 567245055 /nfs/dbraw/zinc/24/50/55/567245055.db2.gz UVNMGGGDOHIJHF-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN Cc1nnsc1CNC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000638368210 567244975 /nfs/dbraw/zinc/24/49/75/567244975.db2.gz ZLYZHQMXUKXHTK-XHDPSFHLSA-N 0 1 384.908 3.191 20 0 GGADMN CCN(CC)c1ccc(CNCc2cnn3cc(Br)cnc23)cn1 ZINC000638363027 567245090 /nfs/dbraw/zinc/24/50/90/567245090.db2.gz OBEYMDGCVWQVPJ-UHFFFAOYSA-N 0 1 389.301 3.023 20 0 GGADMN CSc1ccc(CNCCNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000567431579 567245205 /nfs/dbraw/zinc/24/52/05/567245205.db2.gz RIKWIZMDOQSTDL-UHFFFAOYSA-N 0 1 376.956 3.192 20 0 GGADMN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2c(Cl)cccc2OC)CC1 ZINC000567424476 567245249 /nfs/dbraw/zinc/24/52/49/567245249.db2.gz DBGOCPHMSRCOKQ-CQSZACIVSA-N 0 1 388.961 3.231 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000660008534 567245311 /nfs/dbraw/zinc/24/53/11/567245311.db2.gz CFVFDNYNIYVPFK-LLVKDONJSA-N 0 1 384.851 3.464 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN(C)C)cc2)n1 ZINC000660007854 567245625 /nfs/dbraw/zinc/24/56/25/567245625.db2.gz OUYKWZNQSNSYDE-MRXNPFEDSA-N 0 1 379.551 3.223 20 0 GGADMN CSC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000433358121 567245652 /nfs/dbraw/zinc/24/56/52/567245652.db2.gz YHCNDYXXPSLEFL-UHFFFAOYSA-N 0 1 386.283 3.291 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000660008566 567246264 /nfs/dbraw/zinc/24/62/64/567246264.db2.gz COLMNOHCUIQBRT-GFCCVEGCSA-N 0 1 384.851 3.464 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000660009715 567247236 /nfs/dbraw/zinc/24/72/36/567247236.db2.gz ZCMXIKONYASZHG-NSHDSACASA-N 0 1 395.750 3.207 20 0 GGADMN COc1ccccc1C[C@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000475428568 567247305 /nfs/dbraw/zinc/24/73/05/567247305.db2.gz DWFKXAMVXCXLIC-SJCJKPOMSA-N 0 1 377.282 3.205 20 0 GGADMN CS(=O)(=O)C1(CNCc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000475426105 567247409 /nfs/dbraw/zinc/24/74/09/567247409.db2.gz VYKMADTUQYCVMG-UHFFFAOYSA-N 0 1 384.295 3.376 20 0 GGADMN COc1cccc([C@@H](N)C(=O)N2CCc3sc(Br)cc3C2)c1 ZINC000638419388 567247748 /nfs/dbraw/zinc/24/77/48/567247748.db2.gz OUIPSSXAAQTQDV-OAHLLOKOSA-N 0 1 381.295 3.104 20 0 GGADMN CC(C)COC[C@@H](O)CNCc1cc(Br)ccc1Br ZINC000567465676 567247917 /nfs/dbraw/zinc/24/79/17/567247917.db2.gz AZQJOINVDHDQSI-ZDUSSCGKSA-N 0 1 395.135 3.335 20 0 GGADMN COc1c(Br)cccc1CNCc1cccc(NS(C)(=O)=O)c1 ZINC000547821925 567247945 /nfs/dbraw/zinc/24/79/45/567247945.db2.gz MNGLCKBJQRLEFV-UHFFFAOYSA-N 0 1 399.310 3.119 20 0 GGADMN CCOc1ccc(Br)cc1CN(CCN1CCOCC1)C1CC1 ZINC000525422686 567248336 /nfs/dbraw/zinc/24/83/36/567248336.db2.gz IAJVKMAJTWGVMX-UHFFFAOYSA-N 0 1 383.330 3.144 20 0 GGADMN CCCOc1ccc(Br)cc1CNCC1(S(C)(=O)=O)CCC1 ZINC000475439239 567248835 /nfs/dbraw/zinc/24/88/35/567248835.db2.gz JUKAAIZRMRTCBE-UHFFFAOYSA-N 0 1 390.343 3.295 20 0 GGADMN CCCN1CC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000660026655 567248958 /nfs/dbraw/zinc/24/89/58/567248958.db2.gz IGSDSRSLXXJCLP-ZDUSSCGKSA-N 0 1 395.750 3.006 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000567480431 567249277 /nfs/dbraw/zinc/24/92/77/567249277.db2.gz NHGQHMYNIXRBAB-CQSZACIVSA-N 0 1 377.286 3.124 20 0 GGADMN CSc1n[nH]c(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)n1 ZINC000684964209 567249505 /nfs/dbraw/zinc/24/95/05/567249505.db2.gz GTIRBWUWUAWNIZ-IAQYHMDHSA-N 0 1 379.283 3.132 20 0 GGADMN CCC[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CCN1CCOC ZINC000499443641 567249597 /nfs/dbraw/zinc/24/95/97/567249597.db2.gz NCSDYHSARTUVDT-GOSISDBHSA-N 0 1 397.357 3.341 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(C)ccc2Br)CCN1CCOC ZINC000499454272 567249706 /nfs/dbraw/zinc/24/97/06/567249706.db2.gz ASGORDJSNJYKLC-HNNXBMFYSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CCN1CCOC ZINC000499443642 567250417 /nfs/dbraw/zinc/25/04/17/567250417.db2.gz NCSDYHSARTUVDT-SFHVURJKSA-N 0 1 397.357 3.341 20 0 GGADMN NCc1cc(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)ccn1 ZINC000638472302 567250353 /nfs/dbraw/zinc/25/03/53/567250353.db2.gz DMLYYKVVYKIZOV-INIZCTEOSA-N 0 1 392.322 3.310 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1Cl)Nc1nc(SCCO)n[nH]1 ZINC000475453506 567250436 /nfs/dbraw/zinc/25/04/36/567250436.db2.gz YGBDHMZTXRDKJV-UHFFFAOYSA-N 0 1 393.321 3.068 20 0 GGADMN CC(C)(C(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1Br ZINC000684973583 567250605 /nfs/dbraw/zinc/25/06/05/567250605.db2.gz HVRZFCWSDYMFRB-UHFFFAOYSA-N 0 1 377.286 3.251 20 0 GGADMN Cc1ccc(CCN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)o1 ZINC000547828489 567250814 /nfs/dbraw/zinc/25/08/14/567250814.db2.gz LSKGKXWKIVQFSX-OAHLLOKOSA-N 0 1 384.295 3.401 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)n[nH]1 ZINC000684982215 567251889 /nfs/dbraw/zinc/25/18/89/567251889.db2.gz FSVRKPHSWZTCOM-QWRGUYRKSA-N 0 1 392.301 3.385 20 0 GGADMN COc1cc(Br)ccc1CN[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475496143 567252054 /nfs/dbraw/zinc/25/20/54/567252054.db2.gz XQAHOVBUXAKUCT-ZDUSSCGKSA-N 0 1 389.293 3.478 20 0 GGADMN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccn[nH]2)c(Br)c1 ZINC000684986393 567252207 /nfs/dbraw/zinc/25/22/07/567252207.db2.gz XHGOPABHHUMHFO-INIZCTEOSA-N 0 1 392.297 3.231 20 0 GGADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1c(Cl)cccc1Br ZINC000616695148 567252498 /nfs/dbraw/zinc/25/24/98/567252498.db2.gz YTIAKKQSWVJZMV-SNVBAGLBSA-N 0 1 385.649 3.002 20 0 GGADMN Brc1cnc2[nH]c(CN=c3nc(-c4ccccc4)[nH]s3)nc2c1 ZINC000475508934 567252723 /nfs/dbraw/zinc/25/27/23/567252723.db2.gz FDUICYGNRUDHRI-UHFFFAOYSA-N 0 1 387.266 3.273 20 0 GGADMN CN(C)S(=O)(=O)CCN[C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000567525565 567253382 /nfs/dbraw/zinc/25/33/82/567253382.db2.gz UGWNFBRHLUSYRI-CQSZACIVSA-N 0 1 395.750 3.035 20 0 GGADMN COc1ccc(CN[C@H](C)C(=O)N2Cc3ccccc3C2)cc1Br ZINC000475513348 567253562 /nfs/dbraw/zinc/25/35/62/567253562.db2.gz ZBQUPRWLAKPXIR-CYBMUJFWSA-N 0 1 389.293 3.478 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCc2cscn2)C[C@H]1c1ccc(Br)cc1 ZINC000567509912 567253670 /nfs/dbraw/zinc/25/36/70/567253670.db2.gz RDOCCUBQSZEECH-LSDHHAIUSA-N 0 1 381.295 3.248 20 0 GGADMN CCOc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(Cl)c1[O-] ZINC000638554911 567257028 /nfs/dbraw/zinc/25/70/28/567257028.db2.gz GNPHVLSENWBCCX-QWRGUYRKSA-N 0 1 380.794 3.044 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000660070555 567257126 /nfs/dbraw/zinc/25/71/26/567257126.db2.gz YGXLDRZCYMDJNK-UHFFFAOYSA-N 0 1 376.975 3.178 20 0 GGADMN Cc1cc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c2cc(Cl)cc(C)c2n1 ZINC000433525721 567257476 /nfs/dbraw/zinc/25/74/76/567257476.db2.gz QLZNQQQNOLZECP-OAHLLOKOSA-N 0 1 381.929 3.412 20 0 GGADMN CCn1c(=O)c2c3c(sc2nc1SCCc1c[nH]nn1)C[C@H](C)CC3 ZINC000567565535 567258077 /nfs/dbraw/zinc/25/80/77/567258077.db2.gz BRTQKSCIESDAOJ-SNVBAGLBSA-N 0 1 375.523 3.056 20 0 GGADMN COc1cc(CNCCC(=O)Nc2cc(Br)ccc2C)sn1 ZINC000638595548 567259703 /nfs/dbraw/zinc/25/97/03/567259703.db2.gz HTEZQPLQONIIOY-UHFFFAOYSA-N 0 1 384.299 3.341 20 0 GGADMN FC(F)COc1cccc(CNCc2cnn3cc(Br)cnc23)c1 ZINC000638574511 567260842 /nfs/dbraw/zinc/26/08/42/567260842.db2.gz VCMFSWHMKDKJGP-UHFFFAOYSA-N 0 1 397.223 3.426 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)c(Br)c1 ZINC000525720519 567261338 /nfs/dbraw/zinc/26/13/38/567261338.db2.gz XIKQRGHTRRAAHE-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(F)c(Br)c1 ZINC000525720519 567261345 /nfs/dbraw/zinc/26/13/45/567261345.db2.gz XIKQRGHTRRAAHE-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN COCCN1CCN(c2cc(C)nc3c(F)cc(Br)cc23)CC1 ZINC000525706962 567261418 /nfs/dbraw/zinc/26/14/18/567261418.db2.gz XGFNHPAMCSOPQF-UHFFFAOYSA-N 0 1 382.277 3.213 20 0 GGADMN [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000567613342 567261472 /nfs/dbraw/zinc/26/14/72/567261472.db2.gz ZKMNIGRNEFQFLV-IUCAKERBSA-N 0 1 399.713 3.037 20 0 GGADMN COC(=O)[C@H]1CCCCCN1CCC(=O)Nc1ccccc1Br ZINC000591026236 567261577 /nfs/dbraw/zinc/26/15/77/567261577.db2.gz TYJUULYQWDFREK-OAHLLOKOSA-N 0 1 383.286 3.195 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3O)ccc2O1 ZINC000525751995 567262559 /nfs/dbraw/zinc/26/25/59/567262559.db2.gz ZMURITLIACEHLT-VIFPVBQESA-N 0 1 384.251 3.279 20 0 GGADMN C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000660112679 567262717 /nfs/dbraw/zinc/26/27/17/567262717.db2.gz KWIKJLWRJGPZDT-IINYFYTJSA-N 0 1 375.824 3.061 20 0 GGADMN Cn1c(=O)[nH]c2cc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)ccc21 ZINC000525727089 567263009 /nfs/dbraw/zinc/26/30/09/567263009.db2.gz ICWVVFFELOWHCG-UHFFFAOYSA-N 0 1 386.209 3.170 20 0 GGADMN C[C@@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000660112678 567263375 /nfs/dbraw/zinc/26/33/75/567263375.db2.gz KWIKJLWRJGPZDT-HZMBPMFUSA-N 0 1 375.824 3.061 20 0 GGADMN CC(C)(CO)[C@H](NC(=O)c1cccc(Br)c1O)c1cccnc1 ZINC000616841402 567263672 /nfs/dbraw/zinc/26/36/72/567263672.db2.gz JBEAPSWTGQLFHW-OAHLLOKOSA-N 0 1 379.254 3.039 20 0 GGADMN O=C(CN1CC[C@H](C2CCOCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660126175 567264120 /nfs/dbraw/zinc/26/41/20/567264120.db2.gz XBEQDZYIZUYMBY-ZDUSSCGKSA-N 0 1 392.297 3.257 20 0 GGADMN CC(C)(CO)[C@@H](NC(=O)c1cccc(Br)c1O)c1cccnc1 ZINC000616841401 567264174 /nfs/dbraw/zinc/26/41/74/567264174.db2.gz JBEAPSWTGQLFHW-HNNXBMFYSA-N 0 1 379.254 3.039 20 0 GGADMN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433645072 567264257 /nfs/dbraw/zinc/26/42/57/567264257.db2.gz AEFSJADRCURNTG-UHFFFAOYSA-N 0 1 389.768 3.174 20 0 GGADMN C[C@H](NS(=O)(=O)c1scc(Br)c1Br)C1CC1 ZINC000433641904 567264452 /nfs/dbraw/zinc/26/44/52/567264452.db2.gz JRGGAPMOYRLDQB-YFKPBYRVSA-N 0 1 389.134 3.350 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2ccccc2Br)N(C)C)c1 ZINC000591109144 567264641 /nfs/dbraw/zinc/26/46/41/567264641.db2.gz KDNLWSCLBHUPIH-GOSISDBHSA-N 0 1 391.309 3.419 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](n2ccnc2)C1)c1ccc(Br)cc1 ZINC000591083197 567264783 /nfs/dbraw/zinc/26/47/83/567264783.db2.gz QTLYORKLYRRBFP-YOEHRIQHSA-N 0 1 391.313 3.160 20 0 GGADMN O=C(CN1CCC[C@H]([C@H]2CCOC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660118668 567264744 /nfs/dbraw/zinc/26/47/44/567264744.db2.gz SRJJWOSEPRLLLQ-STQMWFEESA-N 0 1 392.297 3.257 20 0 GGADMN C[C@@H](NS(=O)(=O)c1scc(Br)c1Br)C1CC1 ZINC000433641903 567264840 /nfs/dbraw/zinc/26/48/40/567264840.db2.gz JRGGAPMOYRLDQB-RXMQYKEDSA-N 0 1 389.134 3.350 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCN(C)CC[C@H]1C ZINC000525762258 567265087 /nfs/dbraw/zinc/26/50/87/567265087.db2.gz GROAWQSLOOBSRC-ZIAGYGMSSA-N 0 1 381.314 3.211 20 0 GGADMN O=C(c1ncccc1Br)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000567672113 567265390 /nfs/dbraw/zinc/26/53/90/567265390.db2.gz DERKXFLSRDDSQQ-AWEZNQCLSA-N 0 1 380.673 3.284 20 0 GGADMN COCCC(=O)N1CCN(CC/C=C/c2ccc(Br)cc2)CC1 ZINC000475653292 567265605 /nfs/dbraw/zinc/26/56/05/567265605.db2.gz VEQGMLYBSGAXAN-DUXPYHPUSA-N 0 1 381.314 3.033 20 0 GGADMN O=C(COc1ccc(Br)cc1Cl)N1CCN(C2CCC2)CC1 ZINC000499679160 567266087 /nfs/dbraw/zinc/26/60/87/567266087.db2.gz SMMKLURKGRVMJZ-UHFFFAOYSA-N 0 1 387.705 3.178 20 0 GGADMN Fc1ccc(-c2n[nH]c(CNc3ncccc3I)n2)cc1 ZINC000525823156 567266318 /nfs/dbraw/zinc/26/63/18/567266318.db2.gz KJTQXQAKRLQQDP-UHFFFAOYSA-N 0 1 395.179 3.223 20 0 GGADMN Fc1ccc(-c2nc(CNc3ncccc3I)n[nH]2)cc1 ZINC000525823156 567266323 /nfs/dbraw/zinc/26/63/23/567266323.db2.gz KJTQXQAKRLQQDP-UHFFFAOYSA-N 0 1 395.179 3.223 20 0 GGADMN CCc1nc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)n[nH]1 ZINC000455376640 567266575 /nfs/dbraw/zinc/26/65/75/567266575.db2.gz ZGLWTUUMABPYNA-UHFFFAOYSA-N 0 1 377.754 3.283 20 0 GGADMN C[C@@]1(C(N)=O)CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000475673936 567266996 /nfs/dbraw/zinc/26/69/96/567266996.db2.gz RPIXFGSSLFIVDH-CYBMUJFWSA-N 0 1 381.192 3.045 20 0 GGADMN CSc1n[nH]c(NC(=O)CCSc2ncnc3sc(C)c(C)c32)n1 ZINC000591167432 567268613 /nfs/dbraw/zinc/26/86/13/567268613.db2.gz HPGIHLXJGUJHSY-UHFFFAOYSA-N 0 1 380.524 3.269 20 0 GGADMN O=C(CN[C@H](Cc1ccccn1)c1ccc(Br)cc1)N1CCCC1 ZINC000475725053 567269849 /nfs/dbraw/zinc/26/98/49/567269849.db2.gz XJKLIPVJOYEELP-GOSISDBHSA-N 0 1 388.309 3.340 20 0 GGADMN O=C(CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)N1CCCC1 ZINC000475725054 567269863 /nfs/dbraw/zinc/26/98/63/567269863.db2.gz XJKLIPVJOYEELP-SFHVURJKSA-N 0 1 388.309 3.340 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000616925263 567269955 /nfs/dbraw/zinc/26/99/55/567269955.db2.gz BDWWAAZDGMLNIJ-UHFFFAOYSA-N 0 1 379.283 3.373 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925940 567270266 /nfs/dbraw/zinc/27/02/66/567270266.db2.gz WKSGCXZNTMYCOI-CQSZACIVSA-N 0 1 380.286 3.026 20 0 GGADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925939 567270358 /nfs/dbraw/zinc/27/03/58/567270358.db2.gz WKSGCXZNTMYCOI-AWEZNQCLSA-N 0 1 380.286 3.026 20 0 GGADMN C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(Br)c3[O-])n1)OC2 ZINC000685401825 567271091 /nfs/dbraw/zinc/27/10/91/567271091.db2.gz BZPDAYSPKJJRHY-BLLLJJGKSA-N 0 1 380.242 3.131 20 0 GGADMN C[C@H]1C[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CO1 ZINC000685384320 567271540 /nfs/dbraw/zinc/27/15/40/567271540.db2.gz IOWDZNVYDATEOQ-WCBMZHEXSA-N 0 1 376.214 3.177 20 0 GGADMN C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(Br)c3[O-])n1)OC2 ZINC000685401828 567271829 /nfs/dbraw/zinc/27/18/29/567271829.db2.gz BZPDAYSPKJJRHY-WBMJQRKESA-N 0 1 380.242 3.131 20 0 GGADMN CSc1ccsc1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000499768255 567272707 /nfs/dbraw/zinc/27/27/07/567272707.db2.gz HJBKHORQQJFCMY-UHFFFAOYSA-N 0 1 375.563 3.018 20 0 GGADMN COC(=O)c1cc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)cc1Br ZINC000455415743 567272709 /nfs/dbraw/zinc/27/27/09/567272709.db2.gz CGHFKFRPRPEGPH-TXEJJXNPSA-N 0 1 398.301 3.100 20 0 GGADMN CCN1CC[C@@H](N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000685431715 567272896 /nfs/dbraw/zinc/27/28/96/567272896.db2.gz HFCOZCDUXRZUSD-MSOLQXFVSA-N 0 1 388.309 3.338 20 0 GGADMN COCCCS(=O)(=O)NCCN(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000475761989 567273503 /nfs/dbraw/zinc/27/35/03/567273503.db2.gz SLPDQVHXEMQXKY-UHFFFAOYSA-N 0 1 397.368 3.160 20 0 GGADMN CC(C)[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H](O)C(F)(F)F ZINC000685413926 567274014 /nfs/dbraw/zinc/27/40/14/567274014.db2.gz UNJLTWBULBLDAB-IHRRRGAJSA-N 0 1 382.785 3.122 20 0 GGADMN CC[C@H](C)N(CCC(=O)Nc1ccc(Br)cc1F)CC(=O)OC ZINC000499797173 567274270 /nfs/dbraw/zinc/27/42/70/567274270.db2.gz RDTVBLREBTYYFQ-NSHDSACASA-N 0 1 389.265 3.190 20 0 GGADMN CC(C)[C@H](NCc1cc2c(cc1Br)OCO2)[C@H](O)C(F)(F)F ZINC000685413987 567274392 /nfs/dbraw/zinc/27/43/92/567274392.db2.gz WTXXWCYGKBURFX-STQMWFEESA-N 0 1 384.192 3.215 20 0 GGADMN CSC1(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)CC1 ZINC000475768707 567274756 /nfs/dbraw/zinc/27/47/56/567274756.db2.gz NRHJNGHRWYEVPQ-UHFFFAOYSA-N 0 1 398.370 3.031 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000499817075 567275114 /nfs/dbraw/zinc/27/51/14/567275114.db2.gz FDMBOVZQKPUPHL-UHFFFAOYSA-N 0 1 380.239 3.052 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(Br)c5c(c4)OCCO5)[C@H]1[C@H]3C2 ZINC000685440977 567275405 /nfs/dbraw/zinc/27/54/05/567275405.db2.gz XVMHKGUIOYBXRF-UCQBOQSVSA-N 0 1 380.282 3.076 20 0 GGADMN C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+](C)C ZINC000455441993 567275741 /nfs/dbraw/zinc/27/57/41/567275741.db2.gz NOPWLMZFYZGBNN-ZDUSSCGKSA-N 0 1 387.355 3.207 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000525932173 567276097 /nfs/dbraw/zinc/27/60/97/567276097.db2.gz KQJOUIBWQPWMOB-GMOODISLSA-N 0 1 396.264 3.185 20 0 GGADMN O=S(=O)(Cc1cc(Cl)ccc1Br)N1CCCc2[nH]ncc21 ZINC000567775309 567276527 /nfs/dbraw/zinc/27/65/27/567276527.db2.gz HOOKCBSQHCTERS-UHFFFAOYSA-N 0 1 390.690 3.108 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(Cl)sc1Cl ZINC000660180050 567276997 /nfs/dbraw/zinc/27/69/97/567276997.db2.gz UZQSBVNDVIUEMI-LLVKDONJSA-N 0 1 383.366 3.455 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)sc1Cl ZINC000660180050 567277006 /nfs/dbraw/zinc/27/70/06/567277006.db2.gz UZQSBVNDVIUEMI-LLVKDONJSA-N 0 1 383.366 3.455 20 0 GGADMN CN(CCN1CCCC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000475792719 567277286 /nfs/dbraw/zinc/27/72/86/567277286.db2.gz DBJZLGAXXPUUPL-UHFFFAOYSA-N 0 1 397.338 3.319 20 0 GGADMN CCCOc1c(Br)cc(CN2CC[C@@H](CC(N)=O)C2)cc1OCC ZINC000685474731 567277556 /nfs/dbraw/zinc/27/75/56/567277556.db2.gz KTGMJCBIDCMSMB-ZDUSSCGKSA-N 0 1 399.329 3.334 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000525953884 567277694 /nfs/dbraw/zinc/27/76/94/567277694.db2.gz KCOGCLAVGKAIGS-CYBMUJFWSA-N 0 1 393.408 3.425 20 0 GGADMN CCN1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C[C@@H]1C ZINC000617030056 567277733 /nfs/dbraw/zinc/27/77/33/567277733.db2.gz YJKTWYKBECRCGF-NSHDSACASA-N 0 1 398.301 3.102 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(C)C[C@@H](O)C1CC1 ZINC000685461517 567278045 /nfs/dbraw/zinc/27/80/45/567278045.db2.gz OIEHUYBBZFMKCC-CYBMUJFWSA-N 0 1 393.119 3.423 20 0 GGADMN CNS(=O)(=O)c1ccc(CNC2(c3ccc(Br)cc3)CC2)cc1 ZINC000660189461 567279115 /nfs/dbraw/zinc/27/91/15/567279115.db2.gz KUGHOOJLLZTAJB-UHFFFAOYSA-N 0 1 395.322 3.136 20 0 GGADMN CN(CC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000475799462 567279233 /nfs/dbraw/zinc/27/92/33/567279233.db2.gz KMBSKIJIPCIQCH-ZDUSSCGKSA-N 0 1 376.444 3.374 20 0 GGADMN CN(CC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000475799461 567279241 /nfs/dbraw/zinc/27/92/41/567279241.db2.gz KMBSKIJIPCIQCH-CYBMUJFWSA-N 0 1 376.444 3.374 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCCc2[nH]ncc21 ZINC000685510005 567279334 /nfs/dbraw/zinc/27/93/34/567279334.db2.gz JJNCTRAJUSBNAB-UHFFFAOYSA-N 0 1 381.885 3.384 20 0 GGADMN CC(C)CCS(=O)(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000591389269 567279575 /nfs/dbraw/zinc/27/95/75/567279575.db2.gz 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20 0 GGADMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000500431474 567321176 /nfs/dbraw/zinc/32/11/76/567321176.db2.gz XRKHGNYOHARYBW-UHFFFAOYSA-N 0 1 388.320 3.141 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1ccccc1-n1ccnn1 ZINC000476415022 567321898 /nfs/dbraw/zinc/32/18/98/567321898.db2.gz YKPANQNUHVTBBO-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000527225116 567322198 /nfs/dbraw/zinc/32/21/98/567322198.db2.gz DNKRWTQXHUMKKQ-GGZOMVNGSA-N 0 1 383.315 3.328 20 0 GGADMN COC[C@@H](NCc1ccc(I)cc1Cl)[C@@H]1CCCO1 ZINC000500451239 567323074 /nfs/dbraw/zinc/32/30/74/567323074.db2.gz LOOMIOKSCQPJEH-KGLIPLIRSA-N 0 1 395.668 3.228 20 0 GGADMN Cc1cc([C@H]2CCCN(C(=O)NCc3nc(C)c(Br)s3)C2)n[nH]1 ZINC000568358926 567323418 /nfs/dbraw/zinc/32/34/18/567323418.db2.gz GWMRZGUZVYWEAH-NSHDSACASA-N 0 1 398.330 3.335 20 0 GGADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434740840 567324291 /nfs/dbraw/zinc/32/42/91/567324291.db2.gz 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/nfs/dbraw/zinc/32/77/28/567327728.db2.gz STRXPDWMZVQQEV-UHFFFAOYSA-N 0 1 386.633 3.143 20 0 GGADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000434776480 567327814 /nfs/dbraw/zinc/32/78/14/567327814.db2.gz NIHDAJHGODNKBD-INIZCTEOSA-N 0 1 377.337 3.430 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000455972823 567327848 /nfs/dbraw/zinc/32/78/48/567327848.db2.gz QCPHJJLZLRWAPL-UHFFFAOYSA-N 0 1 390.709 3.023 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476499872 567328371 /nfs/dbraw/zinc/32/83/71/567328371.db2.gz OZULNMOKODZZPZ-TYNCELHUSA-N 0 1 384.307 3.088 20 0 GGADMN COC[C@@H](NCc1cccc(Br)c1OC(F)F)[C@H]1CCCO1 ZINC000434785543 567328992 /nfs/dbraw/zinc/32/89/92/567328992.db2.gz ONJHIEUZTHMJQQ-CHWSQXEVSA-N 0 1 380.229 3.334 20 0 GGADMN O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CCCCN1C1CC1 ZINC000434779655 567329262 /nfs/dbraw/zinc/32/92/62/567329262.db2.gz XQPDJZRGJAXOIA-CYBMUJFWSA-N 0 1 377.337 3.430 20 0 GGADMN FC(F)Oc1cc2c(cc1CNCCOCC(F)(F)C(F)F)OCO2 ZINC000434791361 567329536 /nfs/dbraw/zinc/32/95/36/567329536.db2.gz CJHFAMYRNVSDLZ-UHFFFAOYSA-N 0 1 375.265 3.023 20 0 GGADMN O=C1[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCN1CC(F)(F)F ZINC000639906452 567329797 /nfs/dbraw/zinc/32/97/97/567329797.db2.gz LXYUHGLDLDLBKE-RDBSUJKOSA-N 0 1 380.769 3.062 20 0 GGADMN O=C(NCCOCC(F)F)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000527315240 567330554 /nfs/dbraw/zinc/33/05/54/567330554.db2.gz ZORQIINNQRXRME-OAHLLOKOSA-N 0 1 375.847 3.058 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c(C)c1 ZINC000568459288 567330905 /nfs/dbraw/zinc/33/09/05/567330905.db2.gz SPHXDZBIPGHKMI-UHFFFAOYSA-N 0 1 377.388 3.174 20 0 GGADMN Cc1cnccc1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000568473237 567331830 /nfs/dbraw/zinc/33/18/30/567331830.db2.gz JOSUHRIWFHPTJY-UHFFFAOYSA-N 0 1 376.298 3.279 20 0 GGADMN Cn1cc(C(=O)CCC(=O)Nc2cc(Br)cc(Cl)c2O)cn1 ZINC000476525761 567332238 /nfs/dbraw/zinc/33/22/38/567332238.db2.gz MLMIKSLAEPISIZ-UHFFFAOYSA-N 0 1 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ZINC000592819315 567364686 /nfs/dbraw/zinc/36/46/86/567364686.db2.gz KAAQZWCPBFKMQX-UHFFFAOYSA-N 0 1 381.322 3.341 20 0 GGADMN C[C@H]1CN(C2CCN(Cc3c(F)ccc(Br)c3F)CC2)CCO1 ZINC000501090283 567364995 /nfs/dbraw/zinc/36/49/95/567364995.db2.gz QLGKGYWKNBJROM-LBPRGKRZSA-N 0 1 389.284 3.412 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCS1 ZINC000456354969 567365168 /nfs/dbraw/zinc/36/51/68/567365168.db2.gz BWVKCFDQEUBYRH-BLLLJJGKSA-N 0 1 398.370 3.424 20 0 GGADMN COCCn1cc(CNCc2c[nH]nc2-c2ccc(Br)s2)cn1 ZINC000527703234 567365184 /nfs/dbraw/zinc/36/51/84/567365184.db2.gz HMUSFRVIGRBRHE-UHFFFAOYSA-N 0 1 396.314 3.033 20 0 GGADMN O[C@@H]1[C@@H](CNCc2ncc(Cl)cc2Br)CCC12CCOCC2 ZINC000527704129 567365256 /nfs/dbraw/zinc/36/52/56/567365256.db2.gz FJQWALSPEKWDCP-IAQYHMDHSA-N 0 1 389.721 3.155 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)Cc1ccoc1 ZINC000456364497 567365384 /nfs/dbraw/zinc/36/53/84/567365384.db2.gz GOINOLJSJHJZEO-ZDUSSCGKSA-N 0 1 392.297 3.364 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)Cc1ccoc1 ZINC000456364496 567365460 /nfs/dbraw/zinc/36/54/60/567365460.db2.gz GOINOLJSJHJZEO-CYBMUJFWSA-N 0 1 392.297 3.364 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccoc1 ZINC000456363716 567365507 /nfs/dbraw/zinc/36/55/07/567365507.db2.gz FSDCZFCTSUCGDX-LBPRGKRZSA-N 0 1 378.270 3.435 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000456359699 567365747 /nfs/dbraw/zinc/36/57/47/567365747.db2.gz UQIYHCIECQOAHU-XJKSGUPXSA-N 0 1 381.929 3.086 20 0 GGADMN CCC(F)(F)C(C)(C)CNc1cccc(S(=O)(=O)NCCN(C)C)c1 ZINC000527706455 567365924 /nfs/dbraw/zinc/36/59/24/567365924.db2.gz YOGAEYBFIBZMSU-UHFFFAOYSA-N 0 1 377.501 3.010 20 0 GGADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000435434602 567365938 /nfs/dbraw/zinc/36/59/38/567365938.db2.gz YQXCPSOUKZJTOO-LBPRGKRZSA-N 0 1 395.750 3.254 20 0 GGADMN CCCN(C(=O)c1scc(C)c1I)[C@@H]1CCN(C)C1 ZINC000592829515 567366199 /nfs/dbraw/zinc/36/61/99/567366199.db2.gz PBCOKLDHQKLENQ-LLVKDONJSA-N 0 1 392.306 3.217 20 0 GGADMN CC(C)c1nc(CNCc2c[nH]nc2-c2ccc(Br)s2)n[nH]1 ZINC000527710998 567366652 /nfs/dbraw/zinc/36/66/52/567366652.db2.gz BCKNTDSGRAWRFA-UHFFFAOYSA-N 0 1 381.303 3.432 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)COC(C)(C)C ZINC000456366140 567366826 /nfs/dbraw/zinc/36/68/26/567366826.db2.gz IUAIKICRLDIGLX-CYBMUJFWSA-N 0 1 398.345 3.343 20 0 GGADMN CC(=O)CCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456369138 567366951 /nfs/dbraw/zinc/36/69/51/567366951.db2.gz LEUWRTWRNUUZRL-ZDUSSCGKSA-N 0 1 396.329 3.287 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CC1(F)F ZINC000456371835 567366967 /nfs/dbraw/zinc/36/69/67/567366967.db2.gz NGPQAYJWOVMBNM-JQWIXIFHSA-N 0 1 388.256 3.183 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)O1 ZINC000456370953 567367108 /nfs/dbraw/zinc/36/71/08/567367108.db2.gz MXLJWYIDATXKMX-OGHNNQOOSA-N 0 1 396.329 3.095 20 0 GGADMN COc1ccc(CN(C)C(=O)c2cccc(Br)c2O)cc1OC ZINC000592827477 567367130 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CSCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456375541 567368698 /nfs/dbraw/zinc/36/86/98/567368698.db2.gz RCIFCXFWHRSLKJ-GFCCVEGCSA-N 0 1 386.359 3.281 20 0 GGADMN CC[C@H](C)OCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456374809 567368810 /nfs/dbraw/zinc/36/88/10/567368810.db2.gz QQKYSUPYTPFQRT-KGLIPLIRSA-N 0 1 398.345 3.343 20 0 GGADMN CC[C@@H](C)OCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456375483 567368828 /nfs/dbraw/zinc/36/88/28/567368828.db2.gz QQKYSUPYTPFQRT-ZIAGYGMSSA-N 0 1 398.345 3.343 20 0 GGADMN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@@H](O)C(F)(F)F ZINC000435439152 567368696 /nfs/dbraw/zinc/36/86/96/567368696.db2.gz STQZATCQHQNKHK-PSASIEDQSA-N 0 1 384.178 3.113 20 0 GGADMN Cn1nccc1[C@@H]1C[C@@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527715386 567368907 /nfs/dbraw/zinc/36/89/07/567368907.db2.gz GHYIMGFEYOVTAZ-NHYWBVRUSA-N 0 1 385.693 3.241 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cccnc1 ZINC000456379557 567369085 /nfs/dbraw/zinc/36/90/85/567369085.db2.gz 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Cc1cccnc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501219136 567373391 /nfs/dbraw/zinc/37/33/91/567373391.db2.gz UFWVBCASRHZRJJ-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1N1CCCC1 ZINC000477134630 567373890 /nfs/dbraw/zinc/37/38/90/567373890.db2.gz IPCBYYQMRXOCGW-CABCVRRESA-N 0 1 395.377 3.194 20 0 GGADMN C[C@H](CO)[C@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000661436997 567374230 /nfs/dbraw/zinc/37/42/30/567374230.db2.gz XSZOETKOYKZXSA-IUODEOHRSA-N 0 1 380.286 3.482 20 0 GGADMN COc1cc(CNCc2cccnc2C)cc(I)c1OC ZINC000527792650 567374648 /nfs/dbraw/zinc/37/46/48/567374648.db2.gz UAOBTWSFNPDVLO-UHFFFAOYSA-N 0 1 398.244 3.302 20 0 GGADMN C[C@H](CO)[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000661436996 567374690 /nfs/dbraw/zinc/37/46/90/567374690.db2.gz XSZOETKOYKZXSA-DOMZBBRYSA-N 0 1 380.286 3.482 20 0 GGADMN C[C@H](NCc1ccc(Br)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569052121 567375259 /nfs/dbraw/zinc/37/52/59/567375259.db2.gz FONWXOQQTFNCOJ-WMLDXEAASA-N 0 1 379.298 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ZINC000661600759 567382273 /nfs/dbraw/zinc/38/22/73/567382273.db2.gz ODMRNEPQFFDUGW-BBRMVZONSA-N 0 1 390.281 3.205 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3ncc(-c4cccc(Br)c4)o3)CC[C@@H]2N1 ZINC000661597578 567382583 /nfs/dbraw/zinc/38/25/83/567382583.db2.gz AXUQXWUXXNBZGI-HIFRSBDPSA-N 0 1 390.281 3.205 20 0 GGADMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1n[nH]c2ccccc21 ZINC000501348670 567383182 /nfs/dbraw/zinc/38/31/82/567383182.db2.gz FHOUNDZARSYMAL-ZDUSSCGKSA-N 0 1 376.185 3.328 20 0 GGADMN CC(C)(C)c1nc(CN2CCOC[C@@H]2c2ccc(Br)cc2)n[nH]1 ZINC000661642500 567383502 /nfs/dbraw/zinc/38/35/02/567383502.db2.gz FOOMUOKNHLILIC-CQSZACIVSA-N 0 1 379.302 3.438 20 0 GGADMN CCOc1c(Br)cc(C(=O)N[C@H](C)c2n[nH]c(CC)n2)cc1OC ZINC000477268974 567384317 /nfs/dbraw/zinc/38/43/17/567384317.db2.gz MKYLXCGITRWMJR-SECBINFHSA-N 0 1 397.273 3.028 20 0 GGADMN CCC[C@@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)OCC ZINC000527932747 567384811 /nfs/dbraw/zinc/38/48/11/567384811.db2.gz PKMUXEZLPMZHRP-DZGCQCFKSA-N 0 1 390.343 3.462 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000618373455 567385064 /nfs/dbraw/zinc/38/50/64/567385064.db2.gz WEGOMYOBDCRQEO-INIZCTEOSA-N 0 1 381.314 3.084 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)NCCOc2ncc(Cl)cc2Cl)c1 ZINC000640565842 567385109 /nfs/dbraw/zinc/38/51/09/567385109.db2.gz XQPZVHWLWBZURJ-UHFFFAOYSA-N 0 1 384.267 3.046 20 0 GGADMN CCOC(=O)c1csc(N(C)C(=O)C(C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000593081935 567385334 /nfs/dbraw/zinc/38/53/34/567385334.db2.gz PCNLRFBKPPXPSK-ZJUUUORDSA-N 0 1 380.388 3.030 20 0 GGADMN CCOC(=O)c1csc(N(C)C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000593081933 567385893 /nfs/dbraw/zinc/38/58/93/567385893.db2.gz PCNLRFBKPPXPSK-UWVGGRQHSA-N 0 1 380.388 3.030 20 0 GGADMN CC(C)CN1CCO[C@@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000501406311 567385926 /nfs/dbraw/zinc/38/59/26/567385926.db2.gz NGEDEZYUKXMEJC-LBPRGKRZSA-N 0 1 377.273 3.174 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CCSc2ccc(Br)cc2)n[nH]1 ZINC000477298192 567386817 /nfs/dbraw/zinc/38/68/17/567386817.db2.gz OPZQPGOXMVZLQY-JTQLQIEISA-N 0 1 383.315 3.489 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)n[nH]1 ZINC000477291589 567386942 /nfs/dbraw/zinc/38/69/42/567386942.db2.gz GPFSCZJLCWZIPZ-SECBINFHSA-N 0 1 389.257 3.011 20 0 GGADMN COc1ccccc1CCNC(=O)CNCc1ccc(Br)cc1C ZINC000435746878 567387003 /nfs/dbraw/zinc/38/70/03/567387003.db2.gz BNYHLTLBODLAIT-UHFFFAOYSA-N 0 1 391.309 3.215 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCSc2ccccc2Br)n[nH]1 ZINC000477291161 567387417 /nfs/dbraw/zinc/38/74/17/567387417.db2.gz FVVWORINAMRPLE-SNVBAGLBSA-N 0 1 383.315 3.489 20 0 GGADMN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)c1Br ZINC000549371993 567387996 /nfs/dbraw/zinc/38/79/96/567387996.db2.gz CNPJRXSRAQWMNA-UHFFFAOYSA-N 0 1 391.273 3.490 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000456517676 567387908 /nfs/dbraw/zinc/38/79/08/567387908.db2.gz GITJTCFLOAUDCZ-CQSZACIVSA-N 0 1 391.313 3.191 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000456527741 567387924 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CC[C@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000456557149 567390643 /nfs/dbraw/zinc/39/06/43/567390643.db2.gz QLLNSJGAXOZTDI-QWHCGFSZSA-N 0 1 386.323 3.054 20 0 GGADMN CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(C)C)CC1 ZINC000549430496 567391291 /nfs/dbraw/zinc/39/12/91/567391291.db2.gz PEXFZXDSXKGUGZ-UHFFFAOYSA-N 0 1 396.308 3.397 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000569248035 567391438 /nfs/dbraw/zinc/39/14/38/567391438.db2.gz YQGYVDYWPCPCDL-SJORKVTESA-N 0 1 381.314 3.051 20 0 GGADMN CC(=O)Nc1ccccc1CC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000435829923 567391559 /nfs/dbraw/zinc/39/15/59/567391559.db2.gz ZBOFBJMIUKTMLP-UHFFFAOYSA-N 0 1 387.237 3.465 20 0 GGADMN C[C@H](O)[C@H]1CCCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000661772254 567391956 /nfs/dbraw/zinc/39/19/56/567391956.db2.gz HSCTYSZHEOHSPM-TVQRCGJNSA-N 0 1 395.219 3.252 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)c2ccc(Br)c(OC(C)C)c2)n1 ZINC000593150228 567391786 /nfs/dbraw/zinc/39/17/86/567391786.db2.gz MMMQBZPZKIMTJQ-UHFFFAOYSA-N 0 1 396.241 3.388 20 0 GGADMN CNC(C)(C)c1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640761401 567393539 /nfs/dbraw/zinc/39/35/39/567393539.db2.gz QVDWZMKVLGXMCK-UHFFFAOYSA-N 0 1 375.782 3.044 20 0 GGADMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1cc(Br)ccc1Cl ZINC000618487890 567393839 /nfs/dbraw/zinc/39/38/39/567393839.db2.gz GYLINEDBLHOKKX-ZDUSSCGKSA-N 0 1 392.644 3.135 20 0 GGADMN O=S(=O)(NCc1cc(Br)ccc1F)c1c(F)cccc1F ZINC000549513272 567394859 /nfs/dbraw/zinc/39/48/59/567394859.db2.gz UIMFULCYSMGBNC-UHFFFAOYSA-N 0 1 380.185 3.345 20 0 GGADMN Cc1ccc(I)cc1C(=O)N1CCN(CC(C)C)CC1 ZINC000477443716 567394819 /nfs/dbraw/zinc/39/48/19/567394819.db2.gz BRBMNDBNLXWIQN-UHFFFAOYSA-N 0 1 386.277 3.013 20 0 GGADMN COc1ccc(Br)cc1C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000569305680 567395048 /nfs/dbraw/zinc/39/50/48/567395048.db2.gz FTESXCKWLBTFQG-UHFFFAOYSA-N 0 1 376.210 3.423 20 0 GGADMN O=C(NCc1cc(Br)c2c(c1)OCCO2)c1n[nH]c2ccccc21 ZINC000501547958 567395907 /nfs/dbraw/zinc/39/59/07/567395907.db2.gz JVGKSQZLUCANPY-UHFFFAOYSA-N 0 1 388.221 3.027 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Br)c(Cl)c2)C[C@@H](C)O1 ZINC000477476447 567396211 /nfs/dbraw/zinc/39/62/11/567396211.db2.gz FGRYYXUNQOSLHR-VXGBXAGGSA-N 0 1 389.721 3.332 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000477463412 567396225 /nfs/dbraw/zinc/39/62/25/567396225.db2.gz WXCPYTZUDYZYPJ-CQSZACIVSA-N 0 1 384.904 3.419 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000501558218 567396887 /nfs/dbraw/zinc/39/68/87/567396887.db2.gz SRSAXQVYNKHKRK-RULNRJAQSA-N 0 1 396.289 3.012 20 0 GGADMN CCc1nc(CNC(=O)N2CCc3c(Br)ccc(Cl)c3C2)n[nH]1 ZINC000569324412 567396938 /nfs/dbraw/zinc/39/69/38/567396938.db2.gz ZPSUOOFORJNWHW-UHFFFAOYSA-N 0 1 398.692 3.051 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1csc(=NC2CC2)[nH]1 ZINC000435960881 567396939 /nfs/dbraw/zinc/39/69/39/567396939.db2.gz QZJWOPRMCFDCMV-WCQYABFASA-N 0 1 378.295 3.188 20 0 GGADMN CCNCc1cn([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640822077 567397381 /nfs/dbraw/zinc/39/73/81/567397381.db2.gz YDRHSULOHNDJBA-VIFPVBQESA-N 0 1 375.782 3.260 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000477500703 567399186 /nfs/dbraw/zinc/39/91/86/567399186.db2.gz GIBMUTWUXRWWGV-CYBMUJFWSA-N 0 1 389.721 3.189 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000435997780 567399132 /nfs/dbraw/zinc/39/91/32/567399132.db2.gz DBJGLDWPOZNXLH-VHSXEESVSA-N 0 1 376.320 3.032 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000435997779 567399448 /nfs/dbraw/zinc/39/94/48/567399448.db2.gz DBJGLDWPOZNXLH-UWVGGRQHSA-N 0 1 376.320 3.032 20 0 GGADMN CNC(C)(C)c1cn([C@@H](C)C(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640889012 567399871 /nfs/dbraw/zinc/39/98/71/567399871.db2.gz WYGFHFHKAHBDST-NSHDSACASA-N 0 1 380.290 3.003 20 0 GGADMN CN[C@H](C)c1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640887380 567400063 /nfs/dbraw/zinc/40/00/63/567400063.db2.gz OGVGARWEZPUDOR-BDAKNGLRSA-N 0 1 375.782 3.430 20 0 GGADMN CN[C@@H](C)c1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640887381 567400217 /nfs/dbraw/zinc/40/02/17/567400217.db2.gz OGVGARWEZPUDOR-DTWKUNHWSA-N 0 1 375.782 3.430 20 0 GGADMN CC1(C)CN(C(=O)c2cccc(Br)c2O)C[C@H](C(F)(F)F)O1 ZINC000569394018 567400672 /nfs/dbraw/zinc/40/06/72/567400672.db2.gz BQRPNCWZDDWQMP-SNVBAGLBSA-N 0 1 382.176 3.337 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000436018057 567400896 /nfs/dbraw/zinc/40/08/96/567400896.db2.gz BQVQCRRYXXZYEZ-UHFFFAOYSA-N 0 1 376.503 3.445 20 0 GGADMN CN(C)CCN(CCCc1ccccc1)S(=O)(=O)CCc1cccs1 ZINC000477541963 567401514 /nfs/dbraw/zinc/40/15/14/567401514.db2.gz AAQHTVYJAQNFAQ-UHFFFAOYSA-N 0 1 380.579 3.117 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1c(Cl)cccc1Cl ZINC000436025563 567402682 /nfs/dbraw/zinc/40/26/82/567402682.db2.gz IALLXIJYZHYTDI-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000618604728 567402759 /nfs/dbraw/zinc/40/27/59/567402759.db2.gz KGSXIQOPXMMQTH-UHFFFAOYSA-N 0 1 395.380 3.375 20 0 GGADMN Brc1ccc2nc(CN(CCN3CCOCC3)CC3CC3)oc2c1 ZINC000661970894 567403086 /nfs/dbraw/zinc/40/30/86/567403086.db2.gz YEQMKRNNLMPYTJ-UHFFFAOYSA-N 0 1 394.313 3.135 20 0 GGADMN C[C@@H](c1ccc(Cl)c(Cl)c1)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000640991704 567404388 /nfs/dbraw/zinc/40/43/88/567404388.db2.gz XEQKOCBTEHSKIF-NSHDSACASA-N 0 1 383.279 3.491 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccsc1 ZINC000436095555 567405010 /nfs/dbraw/zinc/40/50/10/567405010.db2.gz BJLJNOGLXNQWFE-MRXNPFEDSA-N 0 1 375.885 3.015 20 0 GGADMN CN[C@@H](C)c1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640997846 567405910 /nfs/dbraw/zinc/40/59/10/567405910.db2.gz FIWUHHCMNWRLTC-ZBEGNZNMSA-N 0 1 382.295 3.229 20 0 GGADMN CN[C@H](C)c1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640997844 567405923 /nfs/dbraw/zinc/40/59/23/567405923.db2.gz FIWUHHCMNWRLTC-BZNIZROVSA-N 0 1 382.295 3.229 20 0 GGADMN CC(C)OC[C@H](CO)N(C)Cc1ccc(I)c(Cl)c1 ZINC000436117077 567406876 /nfs/dbraw/zinc/40/68/76/567406876.db2.gz WPAONDVVHCUBNH-LBPRGKRZSA-N 0 1 397.684 3.162 20 0 GGADMN O=C(NCCN1CC=CCC1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000477638007 567406967 /nfs/dbraw/zinc/40/69/67/567406967.db2.gz HXCPKBDCBWDQOT-UHFFFAOYSA-N 0 1 377.204 3.460 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)[C@H](C(=O)[O-])C1 ZINC000569465812 567407059 /nfs/dbraw/zinc/40/70/59/567407059.db2.gz JOOMXULQGSDARL-RISCZKNCSA-N 0 1 384.270 3.296 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@@H](Cc1ccc(Cl)cc1F)C(C)=O ZINC000436127180 567407548 /nfs/dbraw/zinc/40/75/48/567407548.db2.gz FOYIHGIUSJNODV-AWEZNQCLSA-N 0 1 387.864 3.105 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@@H](Cc1cccc(Cl)c1F)C(C)=O ZINC000436132073 567407717 /nfs/dbraw/zinc/40/77/17/567407717.db2.gz MKTVXHBXPJCOJX-ZDUSSCGKSA-N 0 1 387.864 3.105 20 0 GGADMN OC[C@H](NC[C@H](O)COCc1ccccc1F)c1cccc(Cl)c1Cl ZINC000662053805 567407992 /nfs/dbraw/zinc/40/79/92/567407992.db2.gz BGTVJPIJFYFMDO-GUYCJALGSA-N 0 1 388.266 3.333 20 0 GGADMN OC[C@@H](NC[C@@H](O)COCc1cccs1)c1cccc(Cl)c1Cl ZINC000662055329 567408389 /nfs/dbraw/zinc/40/83/89/567408389.db2.gz MCIKBXHFUMXAKP-IAQYHMDHSA-N 0 1 376.305 3.256 20 0 GGADMN OC[C@H](NC[C@H](O)COCc1cccs1)c1cccc(Cl)c1Cl ZINC000662055330 567408611 /nfs/dbraw/zinc/40/86/11/567408611.db2.gz MCIKBXHFUMXAKP-NHYWBVRUSA-N 0 1 376.305 3.256 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c1Br ZINC000436149982 567409006 /nfs/dbraw/zinc/40/90/06/567409006.db2.gz BNXXEFYHDUUYQB-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN N[C@H](c1cn(CC/C=C/c2ccc(Br)cc2)nn1)[C@@H]1CCCO1 ZINC000641058767 567409652 /nfs/dbraw/zinc/40/96/52/567409652.db2.gz VIVDJYQKFOUQID-NAIOVJJASA-N 0 1 377.286 3.323 20 0 GGADMN N[C@H](c1cn(CC/C=C\c2ccc(Br)cc2)nn1)[C@@H]1CCCO1 ZINC000641058766 567409906 /nfs/dbraw/zinc/40/99/06/567409906.db2.gz VIVDJYQKFOUQID-MDUYCRKYSA-N 0 1 377.286 3.323 20 0 GGADMN Cc1cc([C@@H](C)NCCOc2ccc(I)cc2)nn1C ZINC000569513417 567410592 /nfs/dbraw/zinc/41/05/92/567410592.db2.gz WZQZSXBJWUDMCE-GFCCVEGCSA-N 0 1 385.249 3.063 20 0 GGADMN Cn1ncc(NS(=O)(=O)c2ccccc2Br)c1C(F)(F)F ZINC000436164313 567410858 /nfs/dbraw/zinc/41/08/58/567410858.db2.gz UCJSJEKTMSUGLP-UHFFFAOYSA-N 0 1 384.177 3.002 20 0 GGADMN Clc1cccc(N2CCOCC2)c1CNCCOc1ncccc1Cl ZINC000549780299 567410820 /nfs/dbraw/zinc/41/08/20/567410820.db2.gz IHULTHQLFQKHET-UHFFFAOYSA-N 0 1 382.291 3.394 20 0 GGADMN Cc1cc([C@H](C)NCCOc2ccc(I)cc2)nn1C ZINC000569513424 567411381 /nfs/dbraw/zinc/41/13/81/567411381.db2.gz WZQZSXBJWUDMCE-LBPRGKRZSA-N 0 1 385.249 3.063 20 0 GGADMN COCCO[C@H]1CCCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000549808791 567411566 /nfs/dbraw/zinc/41/15/66/567411566.db2.gz CFYCIICQMQVYKY-KRWDZBQOSA-N 0 1 382.298 3.352 20 0 GGADMN CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000662143483 567412157 /nfs/dbraw/zinc/41/21/57/567412157.db2.gz LRQFOWJZGPVLLR-HNNXBMFYSA-N 0 1 392.297 3.458 20 0 GGADMN CN(Cc1cn(Cc2ncc(Br)cc2F)nn1)C1CCCCC1 ZINC000641104846 567412983 /nfs/dbraw/zinc/41/29/83/567412983.db2.gz VWHZRMQAAGWGDX-UHFFFAOYSA-N 0 1 382.281 3.388 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)C(C)(C)C2)c2ccc(Br)cc2n1 ZINC000549847368 567413319 /nfs/dbraw/zinc/41/33/19/567413319.db2.gz SGEUMILMRZJGNK-UHFFFAOYSA-N 0 1 376.298 3.472 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000569565458 567413446 /nfs/dbraw/zinc/41/34/46/567413446.db2.gz MAJAQCJRZVLNGD-CQSZACIVSA-N 0 1 390.285 3.491 20 0 GGADMN CC1=CCN(CCNC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501961546 567413551 /nfs/dbraw/zinc/41/35/51/567413551.db2.gz OSOYSOHBTPDKTG-KRWDZBQOSA-N 0 1 386.323 3.368 20 0 GGADMN C[S@@](=O)c1ccc(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000436208706 567414123 /nfs/dbraw/zinc/41/41/23/567414123.db2.gz JQDFXPQOYZJALX-HSZRJFAPSA-N 0 1 392.278 3.244 20 0 GGADMN N[C@@H](c1cn(Cc2cccc3c(Br)cccc23)nn1)[C@H]1CCCO1 ZINC000641129367 567415005 /nfs/dbraw/zinc/41/50/05/567415005.db2.gz LXSZMYSQUQBIOG-MSOLQXFVSA-N 0 1 387.281 3.421 20 0 GGADMN O=S(=O)(CCNCc1c[nH]nc1-c1ccsc1)c1ccc(Cl)cc1 ZINC000436230814 567416031 /nfs/dbraw/zinc/41/60/31/567416031.db2.gz JIJXZHVRULFEGW-UHFFFAOYSA-N 0 1 381.910 3.355 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cn(CCc3cc(Cl)cc(Cl)c3)nn2)CC1 ZINC000641141233 567416824 /nfs/dbraw/zinc/41/68/24/567416824.db2.gz IZMXXNVRLLZHQG-UHFFFAOYSA-N 0 1 383.279 3.124 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cn(CCc3cccc(Cl)c3Cl)nn2)CC1 ZINC000641138292 567417109 /nfs/dbraw/zinc/41/71/09/567417109.db2.gz MNAGYHPVTHCIHN-UHFFFAOYSA-N 0 1 383.279 3.124 20 0 GGADMN O=S(=O)(NCCc1cc(C(F)(F)F)ccn1)c1c(F)cc(F)cc1F ZINC000549912323 567417985 /nfs/dbraw/zinc/41/79/85/567417985.db2.gz KANDICDWKSJCTQ-UHFFFAOYSA-N 0 1 384.301 3.039 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cn(Cc3cc(Cl)cc(Cl)c3F)nn2)CC1 ZINC000641175085 567418389 /nfs/dbraw/zinc/41/83/89/567418389.db2.gz VBSBZAUHYUJDSM-UHFFFAOYSA-N 0 1 387.242 3.069 20 0 GGADMN O=C1[C@H](N2CCC(n3cc(Br)cn3)CC2)CCN1C1CCCCC1 ZINC000528379598 567418488 /nfs/dbraw/zinc/41/84/88/567418488.db2.gz LNXYKMUQUWMONF-QGZVFWFLSA-N 0 1 395.345 3.216 20 0 GGADMN COc1ccc(-c2cn(Cc3n[nH]c(C(C)C)n3)nn2)cc1Br ZINC000641170503 567418713 /nfs/dbraw/zinc/41/87/13/567418713.db2.gz ARKJYBIZDGNWFG-UHFFFAOYSA-N 0 1 377.246 3.006 20 0 GGADMN CCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ncc(C(=O)OC)s1 ZINC000593491719 567418953 /nfs/dbraw/zinc/41/89/53/567418953.db2.gz NAFBNNAYGCWJJM-VHSXEESVSA-N 0 1 380.388 3.030 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000618874532 567419318 /nfs/dbraw/zinc/41/93/18/567419318.db2.gz JFQGJGBMNIWKGA-STQMWFEESA-N 0 1 386.279 3.304 20 0 GGADMN OCC[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1Br ZINC000549930836 567419432 /nfs/dbraw/zinc/41/94/32/567419432.db2.gz CWWXTYOATGSIOH-YJBOKZPZSA-N 0 1 382.273 3.205 20 0 GGADMN N[C@@H](c1cn(Cc2oc3ccccc3c2Br)nn1)[C@H]1CCCO1 ZINC000641205035 567420169 /nfs/dbraw/zinc/42/01/69/567420169.db2.gz GRVIUPQOWINBSN-CJNGLKHVSA-N 0 1 377.242 3.014 20 0 GGADMN COc1ccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000549934665 567420112 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Cc1c(Br)cccc1CC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000477904665 567425958 /nfs/dbraw/zinc/42/59/58/567425958.db2.gz ITAIETWACBSVLI-KBPBESRZSA-N 0 1 397.357 3.304 20 0 GGADMN O=C1N=NC(c2ccccc2NS(=O)(=O)c2cccc(Br)c2)O1 ZINC000436479137 567426227 /nfs/dbraw/zinc/42/62/27/567426227.db2.gz SVHHESMGZAIZLJ-UHFFFAOYSA-N 0 1 396.222 3.006 20 0 GGADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000436479613 567426865 /nfs/dbraw/zinc/42/68/65/567426865.db2.gz WOQDBAHWVNCSJO-LBPRGKRZSA-N 0 1 387.807 3.299 20 0 GGADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000436479030 567427264 /nfs/dbraw/zinc/42/72/64/567427264.db2.gz SYNNKJPPPDDGGE-LLVKDONJSA-N 0 1 391.770 3.129 20 0 GGADMN COC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000456941874 567427727 /nfs/dbraw/zinc/42/77/27/567427727.db2.gz QOSHUYWBZBORTO-AWEZNQCLSA-N 0 1 378.270 3.480 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)N2CCCC[C@H]2C)c2cccs2)CC1 ZINC000502318148 567427934 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CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000478373302 567450823 /nfs/dbraw/zinc/45/08/23/567450823.db2.gz RJKNFRSDXJRKJV-DOTOQJQBSA-N 0 1 377.257 3.416 20 0 GGADMN CN1C[C@H](NC(=O)c2cc(Br)ccc2F)[C@H](c2ccccc2)C1 ZINC000478373311 567451036 /nfs/dbraw/zinc/45/10/36/567451036.db2.gz RJKNFRSDXJRKJV-RDJZCZTQSA-N 0 1 377.257 3.416 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CCC[C@@H](O)CC2)C1=O ZINC000550524659 567451497 /nfs/dbraw/zinc/45/14/97/567451497.db2.gz BPASZPQJAJSUPF-IAGOWNOFSA-N 0 1 395.341 3.408 20 0 GGADMN Cc1cc(CNC(=O)c2c(O)cc(Cl)cc2Cl)nc(N2CCCC2)n1 ZINC000436771155 567451707 /nfs/dbraw/zinc/45/17/07/567451707.db2.gz SOHVZNMEDVQCFV-UHFFFAOYSA-N 0 1 381.263 3.328 20 0 GGADMN Brc1cc(CNCCOC[C@H]2CCOC2)c(Br)s1 ZINC000641720978 567452182 /nfs/dbraw/zinc/45/21/82/567452182.db2.gz ZGIMRVVBZFHOTR-VIFPVBQESA-N 0 1 399.148 3.416 20 0 GGADMN CC(C)(C)c1nc(=NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)s[n-]1 ZINC000550572990 567452425 /nfs/dbraw/zinc/45/24/25/567452425.db2.gz KBOILMYVMAREMF-NXEZZACHSA-N 0 1 378.464 3.105 20 0 GGADMN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570042225 567453665 /nfs/dbraw/zinc/45/36/65/567453665.db2.gz DWHOJWKEEDPJGP-HIRMHNASSA-N 0 1 375.310 3.006 20 0 GGADMN NC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)cc3O)cc21 ZINC000436821854 567454090 /nfs/dbraw/zinc/45/40/90/567454090.db2.gz MOEBTGMBMPUNEU-UHFFFAOYSA-N 0 1 390.237 3.238 20 0 GGADMN CCn1cc(CNCc2ccc(S(C)(=O)=O)s2)c(-c2ccccc2)n1 ZINC000641750631 567454168 /nfs/dbraw/zinc/45/41/68/567454168.db2.gz OOMCWEVCFUREIC-UHFFFAOYSA-N 0 1 375.519 3.325 20 0 GGADMN OC[C@H](CC(F)(F)F)NCc1cccc(Br)c1OC(F)F ZINC000641743865 567454200 /nfs/dbraw/zinc/45/42/00/567454200.db2.gz HNNVZQHMJHQGAN-QMMMGPOBSA-N 0 1 378.135 3.453 20 0 GGADMN COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)ccn1 ZINC000436811266 567454428 /nfs/dbraw/zinc/45/44/28/567454428.db2.gz ISOQPXZBSRTZSC-UHFFFAOYSA-N 0 1 385.601 3.242 20 0 GGADMN O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1ccc(Br)cc1O ZINC000436817289 567454483 /nfs/dbraw/zinc/45/44/83/567454483.db2.gz WUIJKJRIMMAKFN-UHFFFAOYSA-N 0 1 377.173 3.331 20 0 GGADMN CCOC(=O)c1cncnc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000619459044 567454524 /nfs/dbraw/zinc/45/45/24/567454524.db2.gz XBIJMESGLBPIJS-UHFFFAOYSA-N 0 1 375.841 3.384 20 0 GGADMN O=S(=O)([N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(Cl)sc1Cl ZINC000570070277 567455119 /nfs/dbraw/zinc/45/51/19/567455119.db2.gz IANRNJUAKAUSBA-WDEREUQCSA-N 0 1 377.318 3.089 20 0 GGADMN CCOC(=O)CCN(CC(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000594052323 567455259 /nfs/dbraw/zinc/45/52/59/567455259.db2.gz WMSNSCURADOXJX-UHFFFAOYSA-N 0 1 389.265 3.190 20 0 GGADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1ncc(-c2ccc(Br)cc2)o1 ZINC000502831630 567455777 /nfs/dbraw/zinc/45/57/77/567455777.db2.gz CLOUDTVAWZETIN-ZIAGYGMSSA-N 0 1 378.270 3.108 20 0 GGADMN C[C@H]1CCSCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000502827344 567456209 /nfs/dbraw/zinc/45/62/09/567456209.db2.gz MUGCAMAOSIXANC-NSHDSACASA-N 0 1 377.373 3.296 20 0 GGADMN CNC(=O)[C@H]1CCC[C@@H]1NCc1ncc(-c2cccc(Br)c2)o1 ZINC000502836160 567456251 /nfs/dbraw/zinc/45/62/51/567456251.db2.gz OLEOHKZVWYVHDK-KBPBESRZSA-N 0 1 378.270 3.108 20 0 GGADMN CS(=O)(=O)[C@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000502832225 567456581 /nfs/dbraw/zinc/45/65/81/567456581.db2.gz XQUGGFPZCRIKOS-LBPRGKRZSA-N 0 1 393.336 3.221 20 0 GGADMN C[C@@](N)(C(=O)N1CC[C@@H](Oc2ccccc2)C1)c1ccc(Br)cc1 ZINC000662714333 567456948 /nfs/dbraw/zinc/45/69/48/567456948.db2.gz ZETKDNIUZMHRHZ-MJGOQNOKSA-N 0 1 389.293 3.303 20 0 GGADMN C[C@H]1CCSCCN1CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000502842149 567457348 /nfs/dbraw/zinc/45/73/48/567457348.db2.gz QBXWYZWORRHNNS-ZDUSSCGKSA-N 0 1 376.444 3.071 20 0 GGADMN COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000662701857 567457538 /nfs/dbraw/zinc/45/75/38/567457538.db2.gz DATZAHLNOCKPQB-FRQCXROJSA-N 0 1 389.293 3.304 20 0 GGADMN C[C@](N)(C(=O)N1CC[C@@H](Oc2ccccc2)C1)c1ccc(Br)cc1 ZINC000662714332 567457732 /nfs/dbraw/zinc/45/77/32/567457732.db2.gz ZETKDNIUZMHRHZ-IEBWSBKVSA-N 0 1 389.293 3.303 20 0 GGADMN CNC(=O)[C@H]1CCC[C@@H]1NCc1ncc(-c2ccccc2Br)o1 ZINC000502857347 567457594 /nfs/dbraw/zinc/45/75/94/567457594.db2.gz SZBPHEVDSBRPKW-JSGCOSHPSA-N 0 1 378.270 3.108 20 0 GGADMN O=C1[C@@H](N[C@@H]2CCc3sc(Br)cc32)CCN1CC(F)(F)F ZINC000550701347 567458425 /nfs/dbraw/zinc/45/84/25/567458425.db2.gz ZDZHJCUIKPJSRW-BDAKNGLRSA-N 0 1 383.233 3.251 20 0 GGADMN O=C1[C@H](N[C@H]2CCc3sc(Br)cc32)CCN1CC(F)(F)F ZINC000550701348 567459327 /nfs/dbraw/zinc/45/93/27/567459327.db2.gz ZDZHJCUIKPJSRW-DTWKUNHWSA-N 0 1 383.233 3.251 20 0 GGADMN CO[C@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000662733160 567459448 /nfs/dbraw/zinc/45/94/48/567459448.db2.gz HYRUEGBMAUYAGJ-AEFFLSMTSA-N 0 1 383.330 3.335 20 0 GGADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436854040 567459632 /nfs/dbraw/zinc/45/96/32/567459632.db2.gz RUBKWCSGOQBMQX-GFCCVEGCSA-N 0 1 385.277 3.098 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000502886063 567459697 /nfs/dbraw/zinc/45/96/97/567459697.db2.gz UUBOYFONHPGXLV-LLVKDONJSA-N 0 1 393.285 3.360 20 0 GGADMN O=C(c1cc(F)cc(Br)c1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000436857650 567459948 /nfs/dbraw/zinc/45/99/48/567459948.db2.gz CXRISTGPJYHTIG-MEDUHNTESA-N 0 1 397.288 3.383 20 0 GGADMN C[C@](N)(C(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000662756378 567460642 /nfs/dbraw/zinc/46/06/42/567460642.db2.gz FMZRGYMCCDKVDN-HDMKZQKVSA-N 0 1 381.314 3.039 20 0 GGADMN CC1CCN(CCCNc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000550732346 567460718 /nfs/dbraw/zinc/46/07/18/567460718.db2.gz OPZHHEJFEWZTET-UHFFFAOYSA-N 0 1 389.359 3.387 20 0 GGADMN O=C(NCCc1nc2cc(Cl)ccc2s1)N1CCN(C2CCC2)CC1 ZINC000502911721 567460749 /nfs/dbraw/zinc/46/07/49/567460749.db2.gz PQHMORUSNULNDD-UHFFFAOYSA-N 0 1 378.929 3.372 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2cccc(I)c2)c1 ZINC000436862905 567460884 /nfs/dbraw/zinc/46/08/84/567460884.db2.gz RBPHGHYPLQBMAE-UHFFFAOYSA-N 0 1 381.169 3.452 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)cc2C)c1 ZINC000436869153 567460897 /nfs/dbraw/zinc/46/08/97/567460897.db2.gz JHJPBMMIDKKKMF-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN C[C@](N)(C(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000662756380 567461066 /nfs/dbraw/zinc/46/10/66/567461066.db2.gz FMZRGYMCCDKVDN-RLFYNMQTSA-N 0 1 381.314 3.039 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)n1 ZINC000570142481 567461153 /nfs/dbraw/zinc/46/11/53/567461153.db2.gz CXRXZJWTLNHHET-SNVBAGLBSA-N 0 1 379.251 3.459 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Br)co1 ZINC000457377616 567461627 /nfs/dbraw/zinc/46/16/27/567461627.db2.gz CFGNGEOJCLBEFA-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1cc(Cl)cc(Cl)c1 ZINC000641953060 567462462 /nfs/dbraw/zinc/46/24/62/567462462.db2.gz LMDKGOXDZZAEBD-UHFFFAOYSA-N 0 1 395.214 3.189 20 0 GGADMN Brc1ccc(OCCN[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000570167432 567462998 /nfs/dbraw/zinc/46/29/98/567462998.db2.gz CCGMPYODQAXADI-CQSZACIVSA-N 0 1 379.283 3.387 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2cc(Br)c3c(c2)OCCO3)c1 ZINC000436870415 567463357 /nfs/dbraw/zinc/46/33/57/567463357.db2.gz LZPWPKJCGFVIGD-UHFFFAOYSA-N 0 1 392.205 3.381 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cc4cccc(Cl)c4s3)C2)CC1 ZINC000570163281 567463586 /nfs/dbraw/zinc/46/35/86/567463586.db2.gz GKAAHHVHXYOFLG-HNNXBMFYSA-N 0 1 377.941 3.407 20 0 GGADMN C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000436908372 567463977 /nfs/dbraw/zinc/46/39/77/567463977.db2.gz IRSDKKMDJZVHDG-JTQLQIEISA-N 0 1 375.694 3.270 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)NCc1cc(Br)cc(Br)c1 ZINC000570194931 567464522 /nfs/dbraw/zinc/46/45/22/567464522.db2.gz BUQZIQXIAQYZER-SECBINFHSA-N 0 1 399.148 3.124 20 0 GGADMN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195730 567464445 /nfs/dbraw/zinc/46/44/45/567464445.db2.gz IDIMWJQTUYOINI-SJORKVTESA-N 0 1 380.941 3.389 20 0 GGADMN O=S(=O)(Cc1noc(-c2ccc(Br)cc2O)n1)c1ccccc1 ZINC000436889382 567464729 /nfs/dbraw/zinc/46/47/29/567464729.db2.gz YAXRQCAWKWUWNH-UHFFFAOYSA-N 0 1 395.234 3.179 20 0 GGADMN Cc1ccccc1S(=O)(=O)Nc1ncc(I)cc1C ZINC000437300603 567489509 /nfs/dbraw/zinc/48/95/09/567489509.db2.gz DNWIHYOTMVSYQC-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(-c2noc(-c3cc(Cl)ccc3O)n2)cc1 ZINC000436912611 567465381 /nfs/dbraw/zinc/46/53/81/567465381.db2.gz XOZSDNDRYSDCOQ-UHFFFAOYSA-N 0 1 379.825 3.013 20 0 GGADMN O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1c(Cl)ccc(F)c1F ZINC000550826941 567465503 /nfs/dbraw/zinc/46/55/03/567465503.db2.gz QHKCKBBHWSOEKD-CYBMUJFWSA-N 0 1 390.839 3.327 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCCC23CCN(C)CC3)ccc1C(F)(F)F ZINC000570204569 567466486 /nfs/dbraw/zinc/46/64/86/567466486.db2.gz ILTJPMKALWWJMO-UHFFFAOYSA-N 0 1 376.444 3.263 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Br)ccc1[O-] ZINC000436923694 567466847 /nfs/dbraw/zinc/46/68/47/567466847.db2.gz DQIBYOYATNKHJP-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN CO[C@H](CN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C)C1CC1 ZINC000550894449 567467598 /nfs/dbraw/zinc/46/75/98/567467598.db2.gz FWKDLYVPXXRUOK-BDJLRTHQSA-N 0 1 379.302 3.414 20 0 GGADMN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cncc(Br)c1 ZINC000570225054 567467463 /nfs/dbraw/zinc/46/74/63/567467463.db2.gz DCLKVTPXGUMLCT-ZDUSSCGKSA-N 0 1 392.297 3.162 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000642133470 567468539 /nfs/dbraw/zinc/46/85/39/567468539.db2.gz SGZQOWVBDAYXOM-UHFFFAOYSA-N 0 1 399.208 3.068 20 0 GGADMN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1conc1C(C)(C)N ZINC000662927504 567468636 /nfs/dbraw/zinc/46/86/36/567468636.db2.gz CIYRBYFITITRTK-ZDUSSCGKSA-N 0 1 380.286 3.382 20 0 GGADMN COc1cccc(O[C@@H](C)CNC(=O)c2cccc(Br)c2O)c1 ZINC000570238603 567468598 /nfs/dbraw/zinc/46/85/98/567468598.db2.gz MMAQANLYANEZSY-NSHDSACASA-N 0 1 380.238 3.361 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 ZINC000642121362 567468593 /nfs/dbraw/zinc/46/85/93/567468593.db2.gz LYQGMRWXGYQPOO-UHFFFAOYSA-N 0 1 377.853 3.394 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(F)c(Br)c2F)C1(C)C ZINC000662922011 567468746 /nfs/dbraw/zinc/46/87/46/567468746.db2.gz QGPAGUIHSXVKJC-MEBBXXQBSA-N 0 1 377.229 3.198 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cc(Br)co3)c2)CC1 ZINC000457475202 567468870 /nfs/dbraw/zinc/46/88/70/567468870.db2.gz IUONVAYFRLVFAV-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(-c2noc(-c3ccc(Cl)cc3O)n2)c1 ZINC000436941947 567468920 /nfs/dbraw/zinc/46/89/20/567468920.db2.gz FNILGFSWFUWHIN-UHFFFAOYSA-N 0 1 379.825 3.013 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(Br)cc1F ZINC000436937087 567469038 /nfs/dbraw/zinc/46/90/38/567469038.db2.gz HRFJSCTVBQYOTG-SECBINFHSA-N 0 1 392.232 3.203 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(F)c(Br)c2F)C1(C)C ZINC000662922009 567469365 /nfs/dbraw/zinc/46/93/65/567469365.db2.gz QGPAGUIHSXVKJC-BMIGLBTASA-N 0 1 377.229 3.198 20 0 GGADMN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1ccc(O)c(Cl)c1 ZINC000436968655 567470366 /nfs/dbraw/zinc/47/03/66/567470366.db2.gz VBORCNHOECJEFE-UHFFFAOYSA-N 0 1 381.617 3.009 20 0 GGADMN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(O)c(Cl)c1 ZINC000436960461 567470482 /nfs/dbraw/zinc/47/04/82/567470482.db2.gz DLCJOHMHIBNOKR-SNVBAGLBSA-N 0 1 383.206 3.373 20 0 GGADMN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1c(O)cccc1F ZINC000436959556 567470791 /nfs/dbraw/zinc/47/07/91/567470791.db2.gz AKLBEFQIERGCAW-UHFFFAOYSA-N 0 1 377.173 3.331 20 0 GGADMN Fc1ccc(Br)cc1CCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000551006253 567472193 /nfs/dbraw/zinc/47/21/93/567472193.db2.gz UFGKVDVYMRLVJF-OAHLLOKOSA-N 0 1 376.233 3.023 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000642255655 567473006 /nfs/dbraw/zinc/47/30/06/567473006.db2.gz DYHINKFYWFJEPY-HNNXBMFYSA-N 0 1 395.297 3.282 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccc3ccccc32)C[C@@H]1N(C)C ZINC000503210326 567473486 /nfs/dbraw/zinc/47/34/86/567473486.db2.gz CVBYSTMPTDHNNO-HOTGVXAUSA-N 0 1 384.954 3.159 20 0 GGADMN COCC1(C(=O)[O-])CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000570286416 567473514 /nfs/dbraw/zinc/47/35/14/567473514.db2.gz JVALFNWPQXBVMS-UHFFFAOYSA-N 0 1 376.678 3.416 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000437001216 567473562 /nfs/dbraw/zinc/47/35/62/567473562.db2.gz KIJGRSLDSDNDGR-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN Cc1ccc(I)cc1NC(=O)CCCCc1cn[nH]n1 ZINC000478658657 567474016 /nfs/dbraw/zinc/47/40/16/567474016.db2.gz VLKJJRBQUWCLEB-UHFFFAOYSA-N 0 1 384.221 3.069 20 0 GGADMN CCCCCn1cc(CNS(=O)(=O)c2c(F)cc(F)cc2F)c(C)n1 ZINC000503238238 567475082 /nfs/dbraw/zinc/47/50/82/567475082.db2.gz UEZHGKAIPNBFTJ-UHFFFAOYSA-N 0 1 375.416 3.278 20 0 GGADMN COC(=O)[C@]1(C)CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C ZINC000503235469 567475619 /nfs/dbraw/zinc/47/56/19/567475619.db2.gz VKKMUEPOOUCQKB-ULVVVNKQSA-N 0 1 378.321 3.232 20 0 GGADMN Cc1cn(-c2cccc(NS(=O)(=O)c3cc(F)ccc3Cl)c2)c(=O)[nH]1 ZINC000478690964 567475691 /nfs/dbraw/zinc/47/56/91/567475691.db2.gz BKYVSWDNUPQESX-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331548 567476390 /nfs/dbraw/zinc/47/63/90/567476390.db2.gz AVJKGJGTHXISNV-RKDXNWHRSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331548 567476392 /nfs/dbraw/zinc/47/63/92/567476392.db2.gz AVJKGJGTHXISNV-RKDXNWHRSA-N 0 1 386.271 3.246 20 0 GGADMN Cc1nc(CCNC(=O)NCc2nc3cccc(Br)c3[nH]2)cs1 ZINC000457591249 567476759 /nfs/dbraw/zinc/47/67/59/567476759.db2.gz FCBOWWYBJUMXIK-UHFFFAOYSA-N 0 1 394.298 3.132 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C[C@@H]1N(C)C ZINC000503247631 567477441 /nfs/dbraw/zinc/47/74/41/567477441.db2.gz RINOTDFPLAZPNP-ZFWWWQNUSA-N 0 1 388.942 3.061 20 0 GGADMN Cc1n[n-]c(=[NH+]Cc2ccc(Br)c(Br)c2)n1C1CC1 ZINC000551090804 567477427 /nfs/dbraw/zinc/47/74/27/567477427.db2.gz UHXRMFISDATPFB-UHFFFAOYSA-N 0 1 386.091 3.480 20 0 GGADMN CC(C)N(CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1cccs1 ZINC000619735261 567477648 /nfs/dbraw/zinc/47/76/48/567477648.db2.gz UUANTEXHYRVURN-UHFFFAOYSA-N 0 1 377.579 3.364 20 0 GGADMN Brc1cccc2[nH]cc(Cc3noc([C@@H]4CCc5n[nH]nc5C4)n3)c21 ZINC000663159359 567478825 /nfs/dbraw/zinc/47/88/25/567478825.db2.gz UXCGUPWJJDICKZ-SECBINFHSA-N 0 1 399.252 3.295 20 0 GGADMN Brc1cccc2[nH]cc(Cc3noc([C@@H]4CCc5[nH]nnc5C4)n3)c21 ZINC000663159359 567478831 /nfs/dbraw/zinc/47/88/31/567478831.db2.gz UXCGUPWJJDICKZ-SECBINFHSA-N 0 1 399.252 3.295 20 0 GGADMN Cc1cc(Br)cnc1N1CCC(CCCN2CCOCC2)CC1 ZINC000503277893 567478840 /nfs/dbraw/zinc/47/88/40/567478840.db2.gz ZQHVICNGMCNXEU-UHFFFAOYSA-N 0 1 382.346 3.481 20 0 GGADMN Fc1ccc(Br)c(F)c1Cc1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663161244 567479069 /nfs/dbraw/zinc/47/90/69/567479069.db2.gz PFRJRNXOASEIIQ-ZETCQYMHSA-N 0 1 396.195 3.287 20 0 GGADMN Fc1ccc(Br)c(F)c1Cc1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000663161243 567479136 /nfs/dbraw/zinc/47/91/36/567479136.db2.gz PFRJRNXOASEIIQ-SSDOTTSWSA-N 0 1 396.195 3.287 20 0 GGADMN CCOc1ccc(Br)cc1-c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663156859 567479229 /nfs/dbraw/zinc/47/92/29/567479229.db2.gz CMWSQCGYATXWLQ-JTQLQIEISA-N 0 1 390.241 3.484 20 0 GGADMN COc1c(NS(=O)(=O)c2cc(C)c(F)c(C)c2)cc(Cl)cc1C(N)=O ZINC000551113739 567479861 /nfs/dbraw/zinc/47/98/61/567479861.db2.gz IWBQJVKKBDAKPC-UHFFFAOYSA-N 0 1 386.832 3.004 20 0 GGADMN COC(=O)c1ccc(F)c(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551114830 567480054 /nfs/dbraw/zinc/48/00/54/567480054.db2.gz FVFLZSIVDBKIJB-UHFFFAOYSA-N 0 1 379.743 3.345 20 0 GGADMN CCc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)c1 ZINC000551117104 567480086 /nfs/dbraw/zinc/48/00/86/567480086.db2.gz ROGMLNAMMPNBMD-UHFFFAOYSA-N 0 1 383.853 3.498 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Br)co2)CC1 ZINC000457647764 567480153 /nfs/dbraw/zinc/48/01/53/567480153.db2.gz AFYHCURVNWJMFD-GFCCVEGCSA-N 0 1 378.270 3.393 20 0 GGADMN FC(F)(F)CN1CCCN(CCOc2cccc(Br)c2)CC1 ZINC000642527089 567480202 /nfs/dbraw/zinc/48/02/02/567480202.db2.gz NEGQTVBHUGFTLT-UHFFFAOYSA-N 0 1 381.236 3.398 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(Br)c1 ZINC000642515929 567481048 /nfs/dbraw/zinc/48/10/48/567481048.db2.gz YZHRXIOPKJZQBQ-ZIAGYGMSSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@@H]1C[C@]1(NCC(=O)NC(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000503372103 567481118 /nfs/dbraw/zinc/48/11/18/567481118.db2.gz JGCDTPCCEMYZGC-KZULUSFZSA-N 0 1 377.897 3.252 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2CCCO[C@H]2CC(C)C)sc1Br ZINC000478756691 567481558 /nfs/dbraw/zinc/48/15/58/567481558.db2.gz GYVJGIYDMNRPIF-MNOVXSKESA-N 0 1 397.360 3.086 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)NCCN3CCCCC3)c2c1C ZINC000642592356 567482028 /nfs/dbraw/zinc/48/20/28/567482028.db2.gz FSSWHTCAULFSHE-UHFFFAOYSA-N 0 1 378.567 3.311 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000570423430 567482809 /nfs/dbraw/zinc/48/28/09/567482809.db2.gz BRNAMEYHTGOIFN-HQJQHLMTSA-N 0 1 382.287 3.083 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)CCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000551154582 567483182 /nfs/dbraw/zinc/48/31/82/567483182.db2.gz KWKCFALRIRXVIF-SNVBAGLBSA-N 0 1 394.198 3.079 20 0 GGADMN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503415089 567483562 /nfs/dbraw/zinc/48/35/62/567483562.db2.gz HMSHJCGJLNJOGT-GFCCVEGCSA-N 0 1 394.313 3.005 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000642618533 567483676 /nfs/dbraw/zinc/48/36/76/567483676.db2.gz KBQQNZSHHUENRX-KBPBESRZSA-N 0 1 388.339 3.334 20 0 GGADMN Cc1cc(Br)ccc1N(CCN1CCCCC1)S(C)(=O)=O ZINC000642611877 567483757 /nfs/dbraw/zinc/48/37/57/567483757.db2.gz GTYSOXGWZBMFLO-UHFFFAOYSA-N 0 1 375.332 3.009 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cnc2ccsc2c1)N(C)Cc1ccccc1 ZINC000437227031 567484056 /nfs/dbraw/zinc/48/40/56/567484056.db2.gz JEERPUQDCHERLD-AWEZNQCLSA-N 0 1 375.519 3.095 20 0 GGADMN CCN1CCN([C@@H]2CCN(c3nc4ccccc4cc3Br)C2)CC1 ZINC000594549585 567485259 /nfs/dbraw/zinc/48/52/59/567485259.db2.gz FYBSOBIQDLUTPU-MRXNPFEDSA-N 0 1 389.341 3.214 20 0 GGADMN CC(C)[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000594553674 567485441 /nfs/dbraw/zinc/48/54/41/567485441.db2.gz UIXXPVRYTGRGBN-GJZGRUSLSA-N 0 1 399.329 3.179 20 0 GGADMN CC(C)(CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1ccccc1 ZINC000478830733 567485591 /nfs/dbraw/zinc/48/55/91/567485591.db2.gz LNZLCOHTLOZMPF-MRXNPFEDSA-N 0 1 377.282 3.423 20 0 GGADMN CCN1CCN([C@H]2CCN(c3nc4ccccc4cc3Br)C2)CC1 ZINC000594549584 567485601 /nfs/dbraw/zinc/48/56/01/567485601.db2.gz FYBSOBIQDLUTPU-INIZCTEOSA-N 0 1 389.341 3.214 20 0 GGADMN CC(C)[C@H](CN[C@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000594553276 567485791 /nfs/dbraw/zinc/48/57/91/567485791.db2.gz QLKRIIWVDJNLGZ-GJZGRUSLSA-N 0 1 399.329 3.179 20 0 GGADMN CC(C)CO[C@@H]1C[C@@H](N[C@H](C(N)=O)c2cccc(Br)c2)C1(C)C ZINC000478826820 567486005 /nfs/dbraw/zinc/48/60/05/567486005.db2.gz QRBNLUXHFVPXMZ-OAGGEKHMSA-N 0 1 383.330 3.405 20 0 GGADMN FC(F)(F)[C@@H](CN[C@H]1CCc2sc(Br)cc21)N1CCOCC1 ZINC000551198688 567486667 /nfs/dbraw/zinc/48/66/67/567486667.db2.gz PFPLSEJYPWHDPI-CMPLNLGQSA-N 0 1 399.276 3.351 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCc2ccccn2)C[C@H]1c1ccc(Br)cc1 ZINC000570457013 567486558 /nfs/dbraw/zinc/48/65/58/567486558.db2.gz VPWJOXZKSKVVCH-DLBZAZTESA-N 0 1 375.266 3.187 20 0 GGADMN COCCN1CCN(c2cc(C(F)(F)F)c(Br)cn2)C[C@@H]1C ZINC000570446541 567486719 /nfs/dbraw/zinc/48/67/19/567486719.db2.gz YQXOZGVYLAFCAQ-JTQLQIEISA-N 0 1 382.224 3.020 20 0 GGADMN Cc1cc(I)cc(N[C@@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000551198214 567487162 /nfs/dbraw/zinc/48/71/62/567487162.db2.gz VUJSNRZOVVZXIC-CQSZACIVSA-N 0 1 391.216 3.314 20 0 GGADMN COc1ccccc1[C@]1(C)C[C@@H]1N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000478868470 567487320 /nfs/dbraw/zinc/48/73/20/567487320.db2.gz OUPUTPJRFYERKR-LNLFQRSKSA-N 0 1 389.293 3.304 20 0 GGADMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c(Cl)c1 ZINC000642751681 567487782 /nfs/dbraw/zinc/48/77/82/567487782.db2.gz RIBDESQEPIHNBN-CQSZACIVSA-N 0 1 379.913 3.376 20 0 GGADMN CC(C)(C)c1cc(NS(=O)(=O)CCc2ccccc2Br)n[nH]1 ZINC000642888433 567488733 /nfs/dbraw/zinc/48/87/33/567488733.db2.gz OOTBXUUXNYBBAB-UHFFFAOYSA-N 0 1 386.315 3.454 20 0 GGADMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(Br)c(Br)c1 ZINC000570485423 567489163 /nfs/dbraw/zinc/48/91/63/567489163.db2.gz AXPJXLIBTFFBMS-GFCCVEGCSA-N 0 1 395.135 3.429 20 0 GGADMN CC(C)(C)N1C[C@@H](CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1=O ZINC000620014094 567491189 /nfs/dbraw/zinc/49/11/89/567491189.db2.gz FNSLYTFEECINNZ-SNVBAGLBSA-N 0 1 380.901 3.168 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)N[C@H]3CCN(CC4CC4)C3)cc2s1 ZINC000594642143 567491921 /nfs/dbraw/zinc/49/19/21/567491921.db2.gz LFJMOIVILCTWRW-ZDUSSCGKSA-N 0 1 378.567 3.418 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Cl)c(Br)cc2F)n1 ZINC000529168700 567492930 /nfs/dbraw/zinc/49/29/30/567492930.db2.gz UELWLMRCPVZWPL-UHFFFAOYSA-N 0 1 376.617 3.032 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NCc2cc(Br)ccc2F)n[nH]1 ZINC000457793325 567492968 /nfs/dbraw/zinc/49/29/68/567492968.db2.gz WERSVASOOYAVNT-UHFFFAOYSA-N 0 1 384.253 3.003 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccnc(OCCO)c2)c1Cl ZINC000663302022 567494291 /nfs/dbraw/zinc/49/42/91/567494291.db2.gz XXLOGWUZAVQLQR-UHFFFAOYSA-N 0 1 391.276 3.177 20 0 GGADMN C[C@@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000643148023 567494542 /nfs/dbraw/zinc/49/45/42/567494542.db2.gz SNRCWVJBZUMCPU-CRAIPNDOSA-N 0 1 395.341 3.266 20 0 GGADMN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1C(F)(F)F ZINC000570555971 567495373 /nfs/dbraw/zinc/49/53/73/567495373.db2.gz ZMHKEPMTSPLPNV-CQSZACIVSA-N 0 1 376.444 3.263 20 0 GGADMN CC(C)c1nc(CNC(=O)NCC(C)(C)c2ccc(Br)cc2)n[nH]1 ZINC000457828155 567496242 /nfs/dbraw/zinc/49/62/42/567496242.db2.gz XVKUQWRJODWMEV-UHFFFAOYSA-N 0 1 394.317 3.468 20 0 GGADMN COc1ccc(CNC[C@@H](O)COc2ccc(Br)cc2)c(F)c1 ZINC000570564439 567496403 /nfs/dbraw/zinc/49/64/03/567496403.db2.gz QCJGQNDKIRPQKQ-CQSZACIVSA-N 0 1 384.245 3.126 20 0 GGADMN CN1C(=O)N(Cc2n[nH]c(C3CC3)n2)C(=O)[C@@H]1c1cccc(Cl)c1Cl ZINC000663318135 567496632 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COc1cc(NC(=O)CSc2nnc(C)[nH]2)c(Cl)cc1Br ZINC000620152655 567500135 /nfs/dbraw/zinc/50/01/35/567500135.db2.gz ARWVGFIJYLQLLO-UHFFFAOYSA-N 0 1 391.678 3.268 20 0 GGADMN COc1cc(NC(=O)CSc2nc(C)n[nH]2)c(Cl)cc1Br ZINC000620152655 567500142 /nfs/dbraw/zinc/50/01/42/567500142.db2.gz ARWVGFIJYLQLLO-UHFFFAOYSA-N 0 1 391.678 3.268 20 0 GGADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000503672509 567500140 /nfs/dbraw/zinc/50/01/40/567500140.db2.gz GGWUIGDDZGQABW-HNNXBMFYSA-N 0 1 396.260 3.030 20 0 GGADMN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2cncc(Cl)c2C)cc1 ZINC000594696524 567500158 /nfs/dbraw/zinc/50/01/58/567500158.db2.gz KEJXSBWZZUMUNZ-UHFFFAOYSA-N 0 1 382.869 3.295 20 0 GGADMN C[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479067790 567500433 /nfs/dbraw/zinc/50/04/33/567500433.db2.gz WIQDMQVALXBRCN-CIISACIHSA-N 0 1 395.352 3.233 20 0 GGADMN CO[C@@H]1C[C@@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1(C)C ZINC000479072948 567501219 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/nfs/dbraw/zinc/55/04/98/567550498.db2.gz IGPXJDHWDMDLGE-LBPRGKRZSA-N 0 1 393.241 3.105 20 0 GGADMN CO[C@]1(C(F)(F)F)CCCN(C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000664043687 567550483 /nfs/dbraw/zinc/55/04/83/567550483.db2.gz SKUQFNOTHMIPNN-XJKSGUPXSA-N 0 1 379.444 3.192 20 0 GGADMN CN(C(=O)CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1nccs1 ZINC000571274863 567550844 /nfs/dbraw/zinc/55/08/44/567550844.db2.gz RYVPJZGGKRHADK-CQSZACIVSA-N 0 1 375.885 3.473 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN1CCc2sccc2C1 ZINC000438838241 567551063 /nfs/dbraw/zinc/55/10/63/567551063.db2.gz UMGNKALFTJIYNZ-AWEZNQCLSA-N 0 1 386.286 3.448 20 0 GGADMN Cn1nccc1[C@@H]1[C@@H](CNc2cc(Br)cnn2)CCCN1C1CC1 ZINC000664060330 567551412 /nfs/dbraw/zinc/55/14/12/567551412.db2.gz LGUAXJWPNHTBCU-PXAZEXFGSA-N 0 1 391.317 3.000 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(I)cc3)C[C@H]1CCCC2 ZINC000595279706 567551435 /nfs/dbraw/zinc/55/14/35/567551435.db2.gz YBZCUXBLLFPOFK-CZUORRHYSA-N 0 1 385.245 3.368 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c(C)c1 ZINC000552036897 567551566 /nfs/dbraw/zinc/55/15/66/567551566.db2.gz UUPMPFAZXLHTFH-UHFFFAOYSA-N 0 1 382.507 3.463 20 0 GGADMN COc1cc(Br)c(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000644428624 567551629 /nfs/dbraw/zinc/55/16/29/567551629.db2.gz YYIQIPNWEDAGJB-XPTSAGLGSA-N 0 1 398.219 3.402 20 0 GGADMN CC(C)[C@H]1OCC[C@H]1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458516776 567552088 /nfs/dbraw/zinc/55/20/88/567552088.db2.gz UMWQUKPCCUPSHH-MEDUHNTESA-N 0 1 395.301 3.186 20 0 GGADMN COc1cnc(NS(=O)(=O)c2c(C)cccc2F)c(Br)c1 ZINC000571318019 567553504 /nfs/dbraw/zinc/55/35/04/567553504.db2.gz DVFBOCVQPWSMTF-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN C[C@H]1[C@H](NC(=O)c2ncc(Br)s2)CCN1Cc1ccccc1 ZINC000644488309 567553870 /nfs/dbraw/zinc/55/38/70/567553870.db2.gz KBCCNWWMQNZNSY-WCQYABFASA-N 0 1 380.311 3.298 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)c1Br ZINC000571345575 567554564 /nfs/dbraw/zinc/55/45/64/567554564.db2.gz JZEGMZQGGLOYEY-KRWDZBQOSA-N 0 1 378.270 3.122 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)c1Br ZINC000571345576 567554662 /nfs/dbraw/zinc/55/46/62/567554662.db2.gz JZEGMZQGGLOYEY-QGZVFWFLSA-N 0 1 378.270 3.122 20 0 GGADMN CCOCCC1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000458559795 567554772 /nfs/dbraw/zinc/55/47/72/567554772.db2.gz BCLVHQYVVZIYLR-UHFFFAOYSA-N 0 1 395.301 3.331 20 0 GGADMN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)c1sccc1Br ZINC000438940304 567555271 /nfs/dbraw/zinc/55/52/71/567555271.db2.gz BQDQXDBCLIALNF-LBPRGKRZSA-N 0 1 395.388 3.299 20 0 GGADMN CC1(N2CCOCC2)CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000529912352 567555397 /nfs/dbraw/zinc/55/53/97/567555397.db2.gz NKNIUUQEDMTJHR-UHFFFAOYSA-N 0 1 387.307 3.086 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000644514111 567555570 /nfs/dbraw/zinc/55/55/70/567555570.db2.gz ACWNAQAMNAUFRF-TZMCWYRMSA-N 0 1 390.281 3.416 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1ccc(OC)cc1Cl)c1ccco1 ZINC000571358564 567556612 /nfs/dbraw/zinc/55/66/12/567556612.db2.gz CMQAJIQJELXRTF-SWLSCSKDSA-N 0 1 386.901 3.349 20 0 GGADMN Cc1ccc2nc(CNC[C@@H](O)COc3ccc(Cl)c(Cl)c3)cn2c1 ZINC000644527570 567556917 /nfs/dbraw/zinc/55/69/17/567556917.db2.gz BBZARIMMXZAKPM-CQSZACIVSA-N 0 1 380.275 3.479 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cncs1 ZINC000552090851 567557097 /nfs/dbraw/zinc/55/70/97/567557097.db2.gz VSJUMNXDQZTEEM-VIFPVBQESA-N 0 1 380.322 3.079 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)[C@H](C)CN1CCOCC1 ZINC000479766946 567557195 /nfs/dbraw/zinc/55/71/95/567557195.db2.gz NICOEWOYXRFBBO-WBVHZDCISA-N 0 1 397.357 3.197 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H](C)CN1CCOCC1 ZINC000479766942 567557255 /nfs/dbraw/zinc/55/72/55/567557255.db2.gz NICOEWOYXRFBBO-NVXWUHKLSA-N 0 1 397.357 3.197 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(O)c1 ZINC000552089391 567557289 /nfs/dbraw/zinc/55/72/89/567557289.db2.gz JBWWNMPWOBGNJL-LLVKDONJSA-N 0 1 389.304 3.328 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000479771763 567557439 /nfs/dbraw/zinc/55/74/39/567557439.db2.gz BOLGLEOGYKDCNO-UHFFFAOYSA-N 0 1 377.235 3.223 20 0 GGADMN CC[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)[C@H]1CCCO1 ZINC000458599480 567557600 /nfs/dbraw/zinc/55/76/00/567557600.db2.gz MREXLRRCWVTITL-WCQYABFASA-N 0 1 381.274 3.082 20 0 GGADMN C[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCCCO1 ZINC000458618533 567558394 /nfs/dbraw/zinc/55/83/94/567558394.db2.gz AWNGTJOHYRLGOL-GWCFXTLKSA-N 0 1 381.274 3.082 20 0 GGADMN O=C(COc1ccccc1Br)NCCN1CCc2ccccc2C1 ZINC000479780463 567558571 /nfs/dbraw/zinc/55/85/71/567558571.db2.gz KBHFJRKFNWGOMV-UHFFFAOYSA-N 0 1 389.293 3.002 20 0 GGADMN CN(C)C1CN(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc2Br)C1 ZINC000571391424 567559039 /nfs/dbraw/zinc/55/90/39/567559039.db2.gz CVVFUPIJMFADEP-UHFFFAOYSA-N 0 1 398.301 3.182 20 0 GGADMN CC(C)c1cc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)on1 ZINC000644567809 567559818 /nfs/dbraw/zinc/55/98/18/567559818.db2.gz PAOQEGJHXIINDS-CYBMUJFWSA-N 0 1 387.249 3.229 20 0 GGADMN CC1(C)C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C(C)(C)O1 ZINC000458642491 567559861 /nfs/dbraw/zinc/55/98/61/567559861.db2.gz VYIXQYMCIWUEIK-GFCCVEGCSA-N 0 1 395.301 3.471 20 0 GGADMN COc1c(NS(=O)(=O)c2ccc(C)c(Cl)c2)cc(Cl)cc1C(N)=O ZINC000571424574 567560993 /nfs/dbraw/zinc/56/09/93/567560993.db2.gz HNLYDQMSJBWHHN-UHFFFAOYSA-N 0 1 389.260 3.210 20 0 GGADMN C[C@@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)c1nccs1 ZINC000458648805 567561096 /nfs/dbraw/zinc/56/10/96/567561096.db2.gz FULJYAZYUDZRDU-VIFPVBQESA-N 0 1 394.298 3.385 20 0 GGADMN CC(C)(C(=O)Nc1ccn(-c2ccncc2)n1)c1ccc(Br)cc1 ZINC000505133386 567561552 /nfs/dbraw/zinc/56/15/52/567561552.db2.gz FLRUTGHYZASRMB-UHFFFAOYSA-N 0 1 385.265 3.368 20 0 GGADMN C[C@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)C(F)(F)F ZINC000458658891 567561722 /nfs/dbraw/zinc/56/17/22/567561722.db2.gz OHZCYCDLXXOFOX-SSDOTTSWSA-N 0 1 379.180 3.323 20 0 GGADMN O[C@@H](CN[C@@H]1COc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000571433489 567561987 /nfs/dbraw/zinc/56/19/87/567561987.db2.gz GVALUUDVVZUFHA-XJKSGUPXSA-N 0 1 382.229 3.051 20 0 GGADMN CS[C@@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000458648234 567562042 /nfs/dbraw/zinc/56/20/42/567562042.db2.gz OOKLSSNYYAGRFX-HUUCEWRRSA-N 0 1 375.460 3.455 20 0 GGADMN COc1cc(C)c(Br)cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000552137424 567562061 /nfs/dbraw/zinc/56/20/61/567562061.db2.gz SUXFPZWWUOMJHM-SNVBAGLBSA-N 0 1 381.274 3.499 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000458669379 567563012 /nfs/dbraw/zinc/56/30/12/567563012.db2.gz WJXKKCFPECGWEA-VXGBXAGGSA-N 0 1 395.301 3.330 20 0 GGADMN O=c1cc(CN2CCC=C(c3ccco3)C2)nc2ccc(Br)cn12 ZINC000552142445 567563175 /nfs/dbraw/zinc/56/31/75/567563175.db2.gz FVVUQFXKEWZCLQ-UHFFFAOYSA-N 0 1 386.249 3.339 20 0 GGADMN O=C(NCCC[C@H]1CCCCO1)NCc1nc2cccc(Br)c2[nH]1 ZINC000458670056 567563368 /nfs/dbraw/zinc/56/33/68/567563368.db2.gz TVKPJKSSYZSKKM-GFCCVEGCSA-N 0 1 395.301 3.474 20 0 GGADMN O=C(NCCC[C@@H]1CCCCO1)NCc1nc2cccc(Br)c2[nH]1 ZINC000458670059 567563503 /nfs/dbraw/zinc/56/35/03/567563503.db2.gz TVKPJKSSYZSKKM-LBPRGKRZSA-N 0 1 395.301 3.474 20 0 GGADMN Brc1ccccc1-n1cc(CNC[C@H]2Cc3ccccc3O2)nn1 ZINC000571452990 567563865 /nfs/dbraw/zinc/56/38/65/567563865.db2.gz VBXPDISBDUSNKK-OAHLLOKOSA-N 0 1 385.265 3.123 20 0 GGADMN CC[C@@H]1C[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)CC(=O)N1 ZINC000530033694 567564037 /nfs/dbraw/zinc/56/40/37/567564037.db2.gz QJRCPLUJCGAOST-IOASZLSFSA-N 0 1 386.323 3.017 20 0 GGADMN Brc1ccccc1-n1cc(CNC[C@@H]2Cc3ccccc3O2)nn1 ZINC000571452987 567564122 /nfs/dbraw/zinc/56/41/22/567564122.db2.gz VBXPDISBDUSNKK-HNNXBMFYSA-N 0 1 385.265 3.123 20 0 GGADMN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CN(CC)C1CC1 ZINC000505181850 567564135 /nfs/dbraw/zinc/56/41/35/567564135.db2.gz JZCGXMFINVZZOH-INIZCTEOSA-N 0 1 387.307 3.068 20 0 GGADMN Cn1nc(CNC[C@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000644622642 567564517 /nfs/dbraw/zinc/56/45/17/567564517.db2.gz GWOOCBPNOZRKRF-ZDUSSCGKSA-N 0 1 380.275 3.410 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)sc1C ZINC000571485112 567566313 /nfs/dbraw/zinc/56/63/13/567566313.db2.gz DXTJLXIXZQFAAZ-ZDUSSCGKSA-N 0 1 378.441 3.459 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)CCCc2ccccc2Br)C1 ZINC000479883581 567566713 /nfs/dbraw/zinc/56/67/13/567566713.db2.gz HLZSXPKOPXAZNT-QGZVFWFLSA-N 0 1 397.357 3.245 20 0 GGADMN Brc1cccc2sc(N3CCN(C[C@H]4CCCO4)CC3)nc21 ZINC000621245797 567567232 /nfs/dbraw/zinc/56/72/32/567567232.db2.gz XSMYRGRBFBGXRO-GFCCVEGCSA-N 0 1 382.327 3.360 20 0 GGADMN CCN(CCNC(=O)NC[C@H]1CSc2ccccc21)CCC(F)(F)F ZINC000458708702 567567116 /nfs/dbraw/zinc/56/71/16/567567116.db2.gz HNKKZPHIMSBDHA-ZDUSSCGKSA-N 0 1 375.460 3.449 20 0 GGADMN CSC1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000458725322 567568854 /nfs/dbraw/zinc/56/88/54/567568854.db2.gz MQBPEJYCDSZNPO-UHFFFAOYSA-N 0 1 383.315 3.410 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000571515112 567568982 /nfs/dbraw/zinc/56/89/82/567568982.db2.gz RXSUDDYLGLOFAF-KRWDZBQOSA-N 0 1 377.257 3.043 20 0 GGADMN O[C@@H]1CCC[C@H]1N1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC000621263392 567569381 /nfs/dbraw/zinc/56/93/81/567569381.db2.gz PVSCEDGCMBSIBU-CHWSQXEVSA-N 0 1 382.327 3.094 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000595516786 567569585 /nfs/dbraw/zinc/56/95/85/567569585.db2.gz BCXMTGVGDQJLQR-KRWDZBQOSA-N 0 1 386.279 3.199 20 0 GGADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000439188670 567570280 /nfs/dbraw/zinc/57/02/80/567570280.db2.gz FYFHWRVJMCJFHA-CQSZACIVSA-N 0 1 397.287 3.374 20 0 GGADMN CN(CCCN1CCN(C)CC1)c1nc2c(cccc2Br)s1 ZINC000621266275 567570725 /nfs/dbraw/zinc/57/07/25/567570725.db2.gz FOGNCQNHUSEILZ-UHFFFAOYSA-N 0 1 383.359 3.133 20 0 GGADMN COc1cc(NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)ccc1Br ZINC000644692772 567570972 /nfs/dbraw/zinc/57/09/72/567570972.db2.gz HHPUMVAKXLCMPN-MRXNPFEDSA-N 0 1 379.298 3.363 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)n[nH]1 ZINC000664476453 567571436 /nfs/dbraw/zinc/57/14/36/567571436.db2.gz SESIBWPGOIBZQC-SNVBAGLBSA-N 0 1 383.279 3.429 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000439216765 567571517 /nfs/dbraw/zinc/57/15/17/567571517.db2.gz UHOXKMFSOGJRLC-LLVKDONJSA-N 0 1 384.851 3.464 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000439212364 567571670 /nfs/dbraw/zinc/57/16/70/567571670.db2.gz GFCFHSWAJOQAMI-GFCCVEGCSA-N 0 1 395.750 3.207 20 0 GGADMN COc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c(Br)c1 ZINC000571566463 567571579 /nfs/dbraw/zinc/57/15/79/567571579.db2.gz PZNODLZOXPHFSV-AWEZNQCLSA-N 0 1 383.330 3.442 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000458750583 567571609 /nfs/dbraw/zinc/57/16/09/567571609.db2.gz DNQBSYUKQCTIJI-IRXDYDNUSA-N 0 1 395.345 3.421 20 0 GGADMN COc1cc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Br)cn1 ZINC000621271353 567571713 /nfs/dbraw/zinc/57/17/13/567571713.db2.gz FKPDQHXZIOZSMS-GFCCVEGCSA-N 0 1 392.301 3.228 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000439214123 567572152 /nfs/dbraw/zinc/57/21/52/567572152.db2.gz KEGNTWZUNZDOQC-GFCCVEGCSA-N 0 1 393.322 3.001 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000439216449 567572185 /nfs/dbraw/zinc/57/21/85/567572185.db2.gz OYTZTMCCDBBUTB-GFCCVEGCSA-N 0 1 384.851 3.464 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000439216451 567572210 /nfs/dbraw/zinc/57/22/10/567572210.db2.gz OYTZTMCCDBBUTB-LBPRGKRZSA-N 0 1 384.851 3.464 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)c1Cl ZINC000439201698 567572240 /nfs/dbraw/zinc/57/22/40/567572240.db2.gz TZIMHGDEDPMDRL-CQSZACIVSA-N 0 1 376.869 3.029 20 0 GGADMN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1(c2nnc[nH]2)CCC1 ZINC000439218430 567572382 /nfs/dbraw/zinc/57/23/82/567572382.db2.gz UXFGTOVOBUCQEK-UHFFFAOYSA-N 0 1 382.898 3.339 20 0 GGADMN CCN1C[C@H](C)N(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@H]1C ZINC000505379335 567572359 /nfs/dbraw/zinc/57/23/59/567572359.db2.gz JLAVFCDMLPXBTE-IIYDPXPESA-N 0 1 395.345 3.419 20 0 GGADMN CCN1C[C@H](C)N(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@@H]1C ZINC000505379333 567572505 /nfs/dbraw/zinc/57/25/05/567572505.db2.gz JLAVFCDMLPXBTE-GDZNZVCISA-N 0 1 395.345 3.419 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000439200875 567572558 /nfs/dbraw/zinc/57/25/58/567572558.db2.gz RLQVREPWPGAFAW-OAHLLOKOSA-N 0 1 376.869 3.029 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CCN1C ZINC000505388363 567572798 /nfs/dbraw/zinc/57/27/98/567572798.db2.gz QHLVQLWVDMXDTQ-IRXDYDNUSA-N 0 1 395.345 3.277 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)c2c(O)cnc3c(Br)cccc32)n[nH]1 ZINC000571575340 567573377 /nfs/dbraw/zinc/57/33/77/567573377.db2.gz BKHFOPGVJNYJQR-VIFPVBQESA-N 0 1 389.253 3.095 20 0 GGADMN CCOCC(C)(C)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458783601 567573847 /nfs/dbraw/zinc/57/38/47/567573847.db2.gz WBWFSWSUSHZNSN-UHFFFAOYSA-N 0 1 383.290 3.187 20 0 GGADMN CCN1CCN(Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000505419478 567573950 /nfs/dbraw/zinc/57/39/50/567573950.db2.gz FRFFDQUGXGEKOV-UHFFFAOYSA-N 0 1 377.330 3.389 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000505420897 567574137 /nfs/dbraw/zinc/57/41/37/567574137.db2.gz KOTLRSOTJZHROB-QGZVFWFLSA-N 0 1 391.313 3.390 20 0 GGADMN NC(=O)C[C@@H]1CCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000621295610 567574664 /nfs/dbraw/zinc/57/46/64/567574664.db2.gz QJRDOMQKSALJPW-JTQLQIEISA-N 0 1 395.219 3.088 20 0 GGADMN COc1cc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(Br)cn1 ZINC000621298479 567575210 /nfs/dbraw/zinc/57/52/10/567575210.db2.gz ZIXBNTSIYQCTRJ-AWEZNQCLSA-N 0 1 379.302 3.212 20 0 GGADMN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1sccc1Br ZINC000552298592 567575390 /nfs/dbraw/zinc/57/53/90/567575390.db2.gz DOJHRDHJXUFKJG-WDEREUQCSA-N 0 1 393.372 3.118 20 0 GGADMN FC(F)(F)CN1CC[C@@H](CNc2noc3ccc(Br)cc32)C1 ZINC000571608766 567575882 /nfs/dbraw/zinc/57/58/82/567575882.db2.gz XKHXZPXKEDYCSX-VIFPVBQESA-N 0 1 378.192 3.308 20 0 GGADMN CNC(=O)COc1cccc(CN[C@H](C)c2sccc2Br)c1 ZINC000552319002 567576840 /nfs/dbraw/zinc/57/68/40/567576840.db2.gz CPWVKNBAGXSBMO-LLVKDONJSA-N 0 1 383.311 3.486 20 0 GGADMN COC(=O)c1csc(CN[C@]2(Cc3ccc(Cl)cc3)CCCOC2)n1 ZINC000595670735 567577116 /nfs/dbraw/zinc/57/71/16/567577116.db2.gz KZAYCROQPFSMCO-SFHVURJKSA-N 0 1 380.897 3.465 20 0 GGADMN C[N@@H+](Cc1cnc(C(=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000530163787 567578354 /nfs/dbraw/zinc/57/83/54/567578354.db2.gz QBYQWLKBCOZQNJ-UHFFFAOYSA-N 0 1 376.254 3.101 20 0 GGADMN COc1ccc(-c2nc(C3(N)CCCC3)no2)cc1I ZINC000571641708 567578333 /nfs/dbraw/zinc/57/83/33/567578333.db2.gz NGZXQVQGDLIQKZ-UHFFFAOYSA-N 0 1 385.205 3.078 20 0 GGADMN O=S(=O)(Nc1nccc(C2CC2)n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000530156835 567578514 /nfs/dbraw/zinc/57/85/14/567578514.db2.gz GLIZZEYDNGNJSA-UHFFFAOYSA-N 0 1 375.784 3.410 20 0 GGADMN CC[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000552339805 567578473 /nfs/dbraw/zinc/57/84/73/567578473.db2.gz DMZCHBRCYDZPPU-CZUORRHYSA-N 0 1 389.359 3.304 20 0 GGADMN O=S(=O)(NCc1ccnc(N2CCCC2)c1)c1c(Cl)ccc(F)c1F ZINC000571661897 567580026 /nfs/dbraw/zinc/58/00/26/567580026.db2.gz OBUFWPODLNQKNY-UHFFFAOYSA-N 0 1 387.839 3.092 20 0 GGADMN COCCN1CC[C@@H](NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000480084578 567580762 /nfs/dbraw/zinc/58/07/62/567580762.db2.gz MNYPCNUMUTUTLQ-OAHLLOKOSA-N 0 1 389.323 3.235 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCCO1 ZINC000571677682 567580923 /nfs/dbraw/zinc/58/09/23/567580923.db2.gz AGGQKTSYDDDXAP-INIZCTEOSA-N 0 1 393.281 3.178 20 0 GGADMN C[N@H+]1CC[C@]2(CCN(C(=O)c3n[nH]c(-c4ccccc4)c3Br)C2)C1 ZINC000644830845 567580826 /nfs/dbraw/zinc/58/08/26/567580826.db2.gz YNRGTQYOXHHDGI-SFHVURJKSA-N 0 1 389.297 3.007 20 0 GGADMN C[C@H](CC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccc(F)c(Br)c1 ZINC000644829530 567580982 /nfs/dbraw/zinc/58/09/82/567580982.db2.gz CKWYRAKAQVSOGP-PWSUYJOCSA-N 0 1 381.249 3.216 20 0 GGADMN O=C(CN1CCC(c2cccc(Br)c2)CC1)NCc1cccnc1 ZINC000439321310 567581512 /nfs/dbraw/zinc/58/15/12/567581512.db2.gz OTKBEJOMCMHGDV-UHFFFAOYSA-N 0 1 388.309 3.340 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1O ZINC000644838571 567581655 /nfs/dbraw/zinc/58/16/55/567581655.db2.gz RISXCQCMRSWFRQ-RNCFNFMXSA-N 0 1 384.192 3.099 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CN1CCC(c2cccc(Br)c2)CC1 ZINC000439312585 567582067 /nfs/dbraw/zinc/58/20/67/567582067.db2.gz AWFHHOQWPMLTLU-UHFFFAOYSA-N 0 1 396.329 3.253 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)n[nH]1 ZINC000458876378 567582467 /nfs/dbraw/zinc/58/24/67/567582467.db2.gz RMIFDWMTDQYWPV-AWEZNQCLSA-N 0 1 392.301 3.485 20 0 GGADMN CCc1nc(CNC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000458878992 567582495 /nfs/dbraw/zinc/58/24/95/567582495.db2.gz VFRSWLBFJUZMHP-JTQLQIEISA-N 0 1 386.283 3.283 20 0 GGADMN COCCOCCCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000480137513 567582826 /nfs/dbraw/zinc/58/28/26/567582826.db2.gz DWUJPKRUGVOUBV-CYBMUJFWSA-N 0 1 397.317 3.042 20 0 GGADMN CC[C@@H](CSC)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480159826 567582992 /nfs/dbraw/zinc/58/29/92/567582992.db2.gz MOZHALNHZMNICN-WCQYABFASA-N 0 1 378.357 3.399 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](Sc2c[nH]nn2)C1=O ZINC000505559373 567583029 /nfs/dbraw/zinc/58/30/29/567583029.db2.gz KAFUSQFNOFAQPW-LBPRGKRZSA-N 0 1 381.299 3.472 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C)CC[C@@H]1C ZINC000439358455 567583424 /nfs/dbraw/zinc/58/34/24/567583424.db2.gz YECUPAODADVKJN-ZDUSSCGKSA-N 0 1 383.945 3.332 20 0 GGADMN CCc1nc(CNC(=O)N(C)[C@@H](CC)Cc2ccccc2Br)n[nH]1 ZINC000458880554 567583821 /nfs/dbraw/zinc/58/38/21/567583821.db2.gz XFLRHNPBQWLFHD-ZDUSSCGKSA-N 0 1 394.317 3.292 20 0 GGADMN O=S1(=O)CC[C@H](NCCOc2ccccc2)c2cc(Br)ccc21 ZINC000480176577 567584225 /nfs/dbraw/zinc/58/42/25/567584225.db2.gz YFEPZBPTUYXMDS-INIZCTEOSA-N 0 1 396.306 3.336 20 0 GGADMN CO[C@@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)C ZINC000480172426 567584251 /nfs/dbraw/zinc/58/42/51/567584251.db2.gz SUULMHCPVQYJSW-HIFRSBDPSA-N 0 1 390.343 3.318 20 0 GGADMN CCOC(=O)C1CCC(O)(CN[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000595829339 567584487 /nfs/dbraw/zinc/58/44/87/567584487.db2.gz PTTLJXIEWQAHRH-KVIBHRHWSA-N 0 1 390.307 3.101 20 0 GGADMN CO[C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)C ZINC000480172425 567584885 /nfs/dbraw/zinc/58/48/85/567584885.db2.gz SUULMHCPVQYJSW-DZGCQCFKSA-N 0 1 390.343 3.318 20 0 GGADMN O[C@@H](COc1cc(F)cc(Br)c1)CN(Cc1ccncc1)C1CC1 ZINC000439425829 567585017 /nfs/dbraw/zinc/58/50/17/567585017.db2.gz AAVAMOXVOKEOEI-QGZVFWFLSA-N 0 1 395.272 3.388 20 0 GGADMN CCCn1c(=O)c2cc(Br)ccc2nc1SCCc1c[nH]nn1 ZINC000571723435 567585124 /nfs/dbraw/zinc/58/51/24/567585124.db2.gz OEQMFDDANWPDKM-UHFFFAOYSA-N 0 1 394.298 3.022 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000595826157 567585422 /nfs/dbraw/zinc/58/54/22/567585422.db2.gz XIPNWOBCYALMJE-CQSZACIVSA-N 0 1 379.555 3.465 20 0 GGADMN COc1ccc([C@H](C)NC(=O)N2CCN(C(C)C)CC2)cc1Br ZINC000505579030 567585659 /nfs/dbraw/zinc/58/56/59/567585659.db2.gz NFSSGNZMUPZPJZ-ZDUSSCGKSA-N 0 1 384.318 3.254 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN(Cc1cccnc1)C1CC1 ZINC000439426845 567585746 /nfs/dbraw/zinc/58/57/46/567585746.db2.gz CLWNKAXJRJOQHK-KRWDZBQOSA-N 0 1 395.272 3.388 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN(Cc1ccncc1)C1CC1 ZINC000439425828 567585798 /nfs/dbraw/zinc/58/57/98/567585798.db2.gz AAVAMOXVOKEOEI-KRWDZBQOSA-N 0 1 395.272 3.388 20 0 GGADMN COC1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC1 ZINC000458901515 567586032 /nfs/dbraw/zinc/58/60/32/567586032.db2.gz SACIMSDPGAJOCT-UHFFFAOYSA-N 0 1 381.274 3.084 20 0 GGADMN Fc1ccccc1[C@H](NC[C@@H]1COCCN1)c1ccc(Br)cc1 ZINC000530227987 567586145 /nfs/dbraw/zinc/58/61/45/567586145.db2.gz WUIOPMIOOXYGGN-CRAIPNDOSA-N 0 1 379.273 3.256 20 0 GGADMN CC[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCCO1 ZINC000480179389 567586223 /nfs/dbraw/zinc/58/62/23/567586223.db2.gz KZHJJILWJIACSL-RRFJBIMHSA-N 0 1 388.327 3.215 20 0 GGADMN Fc1ccccc1[C@@H](NC[C@H]1COCCN1)c1ccc(Br)cc1 ZINC000530227990 567586473 /nfs/dbraw/zinc/58/64/73/567586473.db2.gz WUIOPMIOOXYGGN-YJBOKZPZSA-N 0 1 379.273 3.256 20 0 GGADMN O=S1(=O)CC[C@H](N[C@H]2CCCSC2)c2cc(Br)ccc21 ZINC000480195566 567586848 /nfs/dbraw/zinc/58/68/48/567586848.db2.gz CGKJIBQWPLKUJV-AAEUAGOBSA-N 0 1 376.341 3.153 20 0 GGADMN O=S1(=O)CC[C@@H](NC[C@H]2CCCS2)c2cc(Br)ccc21 ZINC000480193917 567587091 /nfs/dbraw/zinc/58/70/91/567587091.db2.gz HUCFWBZBCSXUBT-DGCLKSJQSA-N 0 1 376.341 3.153 20 0 GGADMN C[C@@H](c1ccccn1)N(C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439441690 567587271 /nfs/dbraw/zinc/58/72/71/567587271.db2.gz SXZOHEIBPQISPL-WFASDCNBSA-N 0 1 383.261 3.416 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000458918469 567587504 /nfs/dbraw/zinc/58/75/04/567587504.db2.gz ALLVAJLVHVHCII-ZDUSSCGKSA-N 0 1 392.301 3.390 20 0 GGADMN O=S1(=O)CC[C@@H](N[C@H]2CCCSC2)c2cc(Br)ccc21 ZINC000480195571 567587567 /nfs/dbraw/zinc/58/75/67/567587567.db2.gz CGKJIBQWPLKUJV-WCQYABFASA-N 0 1 376.341 3.153 20 0 GGADMN Cc1ncsc1CN(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439438921 567587642 /nfs/dbraw/zinc/58/76/42/567587642.db2.gz LVLFZOGBSKDLHH-CYBMUJFWSA-N 0 1 389.290 3.225 20 0 GGADMN COc1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2C)c1O ZINC000480202041 567587720 /nfs/dbraw/zinc/58/77/20/567587720.db2.gz RHBZYSMWNINRRJ-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(F)c(Br)c(Cl)c2)n[nH]1 ZINC000552403373 567587788 /nfs/dbraw/zinc/58/77/88/567587788.db2.gz FRTDIAHWICZDQI-LURJTMIESA-N 0 1 375.629 3.413 20 0 GGADMN O=C(NCCCc1nc[nH]n1)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000664768172 567587937 /nfs/dbraw/zinc/58/79/37/567587937.db2.gz OZYXYRFDXXMEPT-UHFFFAOYSA-N 0 1 382.295 3.465 20 0 GGADMN CCOC(=O)CC1(NCc2nc3cc(Br)ccc3o2)CCOCC1 ZINC000595877722 567587994 /nfs/dbraw/zinc/58/79/94/567587994.db2.gz SDHMFDSPTUDZBI-UHFFFAOYSA-N 0 1 397.269 3.182 20 0 GGADMN O=C(NCc1nc2ccc(Br)cc2o1)c1[nH]nc2c1CCCC2 ZINC000644899142 567588134 /nfs/dbraw/zinc/58/81/34/567588134.db2.gz IJLBCBMQWZVYGC-UHFFFAOYSA-N 0 1 375.226 3.122 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)c1ccsc1 ZINC000505614065 567588369 /nfs/dbraw/zinc/58/83/69/567588369.db2.gz VOSSAQIADRPRRU-AWEZNQCLSA-N 0 1 393.310 3.191 20 0 GGADMN CCOC(=O)CC1(NCc2cc(OC)ccc2Br)CCOCC1 ZINC000595877304 567588590 /nfs/dbraw/zinc/58/85/90/567588590.db2.gz JSOOJRDJROBGOH-UHFFFAOYSA-N 0 1 386.286 3.050 20 0 GGADMN O=C(c1cc2c(cccc2Br)[nH]1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000644883809 567588869 /nfs/dbraw/zinc/58/88/69/567588869.db2.gz DJMPRWYBLNBJEV-SECBINFHSA-N 0 1 391.225 3.039 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN1CCc2ccsc2C1 ZINC000439453866 567588857 /nfs/dbraw/zinc/58/88/57/567588857.db2.gz QGJFGMVVWNXUET-AWEZNQCLSA-N 0 1 386.286 3.448 20 0 GGADMN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000480209177 567589163 /nfs/dbraw/zinc/58/91/63/567589163.db2.gz MDGBEHHRNXXNJE-UHFFFAOYSA-N 0 1 388.214 3.426 20 0 GGADMN C[C@@H](O)CC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480216378 567589200 /nfs/dbraw/zinc/58/92/00/567589200.db2.gz VGJNNMHTFAPKBE-BXUZGUMPSA-N 0 1 390.343 3.054 20 0 GGADMN O=C(c1ccc(CNCc2ccc(Br)s2)cc1)N1CCOCC1 ZINC000644899334 567589530 /nfs/dbraw/zinc/58/95/30/567589530.db2.gz OSNWVSOQZYPKSJ-UHFFFAOYSA-N 0 1 395.322 3.273 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000571793274 567589732 /nfs/dbraw/zinc/58/97/32/567589732.db2.gz WOMIILQBASDNGF-SZVBFZGTSA-N 0 1 377.326 3.206 20 0 GGADMN CSCCCN(C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000439488242 567590365 /nfs/dbraw/zinc/59/03/65/567590365.db2.gz WNWLAVFHGAHICQ-NSHDSACASA-N 0 1 392.306 3.303 20 0 GGADMN Cc1ncsc1CCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458959342 567590510 /nfs/dbraw/zinc/59/05/10/567590510.db2.gz CVTHHEKAQFBPFC-UHFFFAOYSA-N 0 1 394.298 3.132 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc2c(cc1Br)OCO2)c1ccsc1 ZINC000621525666 567590715 /nfs/dbraw/zinc/59/07/15/567590715.db2.gz TWRBGRXYQLKAFD-ZDUSSCGKSA-N 0 1 397.294 3.272 20 0 GGADMN NC(=O)c1csc(NCCOc2ccc3cc(Br)ccc3c2)n1 ZINC000644935274 567591370 /nfs/dbraw/zinc/59/13/70/567591370.db2.gz LAEQDKVNSLXHJT-UHFFFAOYSA-N 0 1 392.278 3.071 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(CCN(C)C)C1CC1 ZINC000505668784 567591867 /nfs/dbraw/zinc/59/18/67/567591867.db2.gz KXHDNIWPNFTQHU-ZDUSSCGKSA-N 0 1 381.314 3.211 20 0 GGADMN Cc1nc(S(=O)(=O)NCCc2ccc(F)c(F)c2)sc1Br ZINC000530328745 567592346 /nfs/dbraw/zinc/59/23/46/567592346.db2.gz IUXHQFKPXWNEMF-UHFFFAOYSA-N 0 1 397.266 3.013 20 0 GGADMN CC[C@H](C)[C@@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)OC ZINC000458987106 567592286 /nfs/dbraw/zinc/59/22/86/567592286.db2.gz BXZKKYNFIWSIRN-GXFFZTMASA-N 0 1 383.290 3.186 20 0 GGADMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439570250 567592670 /nfs/dbraw/zinc/59/26/70/567592670.db2.gz MRBBMGCUIRSUDK-UHFFFAOYSA-N 0 1 376.459 3.203 20 0 GGADMN Cc1cc(CNCCS(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000571835817 567592805 /nfs/dbraw/zinc/59/28/05/567592805.db2.gz UDRVRGGUFIXPQS-UHFFFAOYSA-N 0 1 386.286 3.460 20 0 GGADMN O=C1CSc2ccc(NS(=O)(=O)c3cnc4ccsc4c3)cc2N1 ZINC000439570758 567593322 /nfs/dbraw/zinc/59/33/22/567593322.db2.gz KIJXCCRJLUWZHP-UHFFFAOYSA-N 0 1 377.472 3.141 20 0 GGADMN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439572411 567594714 /nfs/dbraw/zinc/59/47/14/567594714.db2.gz NCKZUOLOMMBCHN-HSZRJFAPSA-N 0 1 380.516 3.284 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1C(=O)N(C)C ZINC000439580488 567595007 /nfs/dbraw/zinc/59/50/07/567595007.db2.gz JYVHNNBLBCJRHT-UHFFFAOYSA-N 0 1 375.475 3.107 20 0 GGADMN CC(C)N(C)c1ccc(CNCC(=O)Nc2cccc(Br)c2)cn1 ZINC000480302718 567596185 /nfs/dbraw/zinc/59/61/85/567596185.db2.gz XHLIETZEAJVFAT-UHFFFAOYSA-N 0 1 391.313 3.417 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)CCc1cccs1 ZINC000530380452 567598033 /nfs/dbraw/zinc/59/80/33/567598033.db2.gz BILOPTRYKDARIT-IEBWSBKVSA-N 0 1 376.547 3.237 20 0 GGADMN CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459086512 567599389 /nfs/dbraw/zinc/59/93/89/567599389.db2.gz AUQFQNDVFYJHJG-TZMCWYRMSA-N 0 1 395.301 3.472 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000645013277 567599359 /nfs/dbraw/zinc/59/93/59/567599359.db2.gz UBHGOFXQOQBRPJ-MRXNPFEDSA-N 0 1 395.341 3.393 20 0 GGADMN CCc1nocc1CN(C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459131685 567599828 /nfs/dbraw/zinc/59/98/28/567599828.db2.gz GWMVDVUMDMBHSA-UHFFFAOYSA-N 0 1 392.257 3.217 20 0 GGADMN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000530413447 567599844 /nfs/dbraw/zinc/59/98/44/567599844.db2.gz IPGZEVKHEJGBOG-DOTOQJQBSA-N 0 1 379.291 3.499 20 0 GGADMN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530412806 567600252 /nfs/dbraw/zinc/60/02/52/567600252.db2.gz JWYKINHGVNIGJA-ZBFHGGJFSA-N 0 1 379.291 3.499 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459139171 567600720 /nfs/dbraw/zinc/60/07/20/567600720.db2.gz AYXSPAMACFLHQJ-LLVKDONJSA-N 0 1 381.274 3.036 20 0 GGADMN CC1(C)C[C@@H](O)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459140944 567601155 /nfs/dbraw/zinc/60/11/55/567601155.db2.gz NVPREEHPCDZAPZ-NSHDSACASA-N 0 1 395.301 3.018 20 0 GGADMN CCOC1(C)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459145023 567601293 /nfs/dbraw/zinc/60/12/93/567601293.db2.gz RELPEQWOTXQWTA-UHFFFAOYSA-N 0 1 395.301 3.426 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H](C)[C@@H](C)O1 ZINC000459138625 567601552 /nfs/dbraw/zinc/60/15/52/567601552.db2.gz APNUSHRCTWNULF-GMTAPVOTSA-N 0 1 381.274 3.033 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NCCCc1nc[nH]n1 ZINC000664950438 567601673 /nfs/dbraw/zinc/60/16/73/567601673.db2.gz TWGNFOOPXDHPQJ-OAHLLOKOSA-N 0 1 392.301 3.123 20 0 GGADMN CCC[C@@]1(CO)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459138722 567601812 /nfs/dbraw/zinc/60/18/12/567601812.db2.gz MAUIRSJRJHLRRR-QGZVFWFLSA-N 0 1 395.301 3.020 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[C@@]2(C1)CCCOC2 ZINC000459154571 567602202 /nfs/dbraw/zinc/60/22/02/567602202.db2.gz XVAKAFVQEDLRRI-QGZVFWFLSA-N 0 1 393.285 3.038 20 0 GGADMN CN(C(=O)NCc1nc2cccc(Br)c2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000459154461 567602419 /nfs/dbraw/zinc/60/24/19/567602419.db2.gz XRJWZDPMLOHUPY-LLVKDONJSA-N 0 1 397.317 3.264 20 0 GGADMN Cc1nc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)c(Br)s1 ZINC000571979559 567603571 /nfs/dbraw/zinc/60/35/71/567603571.db2.gz LHZHNKUYMNGRQX-QWHCGFSZSA-N 0 1 380.311 3.042 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000505939337 567604002 /nfs/dbraw/zinc/60/40/02/567604002.db2.gz SRNFHBDGLSTEOX-OAHLLOKOSA-N 0 1 382.346 3.363 20 0 GGADMN CC(C)c1nc(CNC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)n[nH]1 ZINC000664991444 567604750 /nfs/dbraw/zinc/60/47/50/567604750.db2.gz UZUILFFSLTUGFX-GFCCVEGCSA-N 0 1 386.283 3.110 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000664988542 567605218 /nfs/dbraw/zinc/60/52/18/567605218.db2.gz BZHWFKMREDXFHH-ZDUSSCGKSA-N 0 1 376.258 3.101 20 0 GGADMN CCN(CC)CC(=O)Nc1nc2ccc(I)cc2s1 ZINC000505998776 567606415 /nfs/dbraw/zinc/60/64/15/567606415.db2.gz YFXKTCVGWHLHLF-UHFFFAOYSA-N 0 1 389.262 3.181 20 0 GGADMN C[C@@]1(CCCO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459187627 567606648 /nfs/dbraw/zinc/60/66/48/567606648.db2.gz CEDNHCBTKJVCCS-KRWDZBQOSA-N 0 1 395.301 3.162 20 0 GGADMN Cc1cc(CNC(=O)NCc2n[nH]c(C(C)(C)C)n2)ccc1Br ZINC000459193165 567606699 /nfs/dbraw/zinc/60/66/99/567606699.db2.gz ZHMPKQSGMZSIOZ-UHFFFAOYSA-N 0 1 380.290 3.173 20 0 GGADMN C[C@@]1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC[C@H]1O ZINC000459188792 567606746 /nfs/dbraw/zinc/60/67/46/567606746.db2.gz CPKRXQRYJNTLKV-DYVFJYSZSA-N 0 1 395.301 3.066 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530492354 567607018 /nfs/dbraw/zinc/60/70/18/567607018.db2.gz VKHSOPZURWOSDG-CXAGYDPISA-N 0 1 397.338 3.151 20 0 GGADMN O=C(NCCCC(F)(F)F)NCc1nc2cccc(Br)c2[nH]1 ZINC000459187629 567607190 /nfs/dbraw/zinc/60/71/90/567607190.db2.gz CEEZTTCGFBSXNH-UHFFFAOYSA-N 0 1 379.180 3.467 20 0 GGADMN C[C@]1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC[C@H]1O ZINC000459188791 567607244 /nfs/dbraw/zinc/60/72/44/567607244.db2.gz CPKRXQRYJNTLKV-CXAGYDPISA-N 0 1 395.301 3.066 20 0 GGADMN C[C@H]1c2cccn2CCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459212798 567607827 /nfs/dbraw/zinc/60/78/27/567607827.db2.gz MRJGERXBHJVEDD-NSHDSACASA-N 0 1 388.269 3.413 20 0 GGADMN CC(C)(C)CC[C@H](CO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218138 567607900 /nfs/dbraw/zinc/60/79/00/567607900.db2.gz QSTVDMXMHXVLNU-LLVKDONJSA-N 0 1 397.317 3.312 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000459210038 567607917 /nfs/dbraw/zinc/60/79/17/567607917.db2.gz LGAHRWIZMZDJTE-MNOVXSKESA-N 0 1 381.274 3.034 20 0 GGADMN C[C@@H]1CSCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459219299 567607942 /nfs/dbraw/zinc/60/79/42/567607942.db2.gz RPXSUFSVILNJSI-JTQLQIEISA-N 0 1 383.315 3.220 20 0 GGADMN O=C(Cc1ccco1)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000480493590 567608068 /nfs/dbraw/zinc/60/80/68/567608068.db2.gz LEJGGVWUOGDVOD-UHFFFAOYSA-N 0 1 380.422 3.462 20 0 GGADMN O=C(CN1CCCN2c3ccccc3C[C@H]2C1)NCc1ccc(Cl)s1 ZINC000572048752 567608297 /nfs/dbraw/zinc/60/82/97/567608297.db2.gz GQNOCQDZELPPBA-HNNXBMFYSA-N 0 1 375.925 3.155 20 0 GGADMN C[C@@H](O)C[C@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211187 567608247 /nfs/dbraw/zinc/60/82/47/567608247.db2.gz LRRSOCOROQNMEK-VXGBXAGGSA-N 0 1 395.301 3.160 20 0 GGADMN CC(C)(C)CC[C@@H](CO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218139 567608306 /nfs/dbraw/zinc/60/83/06/567608306.db2.gz QSTVDMXMHXVLNU-NSHDSACASA-N 0 1 397.317 3.312 20 0 GGADMN C[C@@H]1N(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCOC1(C)C ZINC000459215559 567608353 /nfs/dbraw/zinc/60/83/53/567608353.db2.gz OINBNUTVCZYSPA-JTQLQIEISA-N 0 1 381.274 3.034 20 0 GGADMN C[C@@H]1[C@H](C)SCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459209020 567608398 /nfs/dbraw/zinc/60/83/98/567608398.db2.gz LDAHNUQTWAQUKK-ZJUUUORDSA-N 0 1 383.315 3.361 20 0 GGADMN CC[C@@]1(C)CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459206451 567608422 /nfs/dbraw/zinc/60/84/22/567608422.db2.gz KFHQAMVNYLCVGL-INIZCTEOSA-N 0 1 381.274 3.036 20 0 GGADMN CN(C[C@H]1CCCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459205097 567608634 /nfs/dbraw/zinc/60/86/34/567608634.db2.gz JTXFQBQYYYFIDP-LLVKDONJSA-N 0 1 381.274 3.036 20 0 GGADMN COCC1(C)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459213912 567608673 /nfs/dbraw/zinc/60/86/73/567608673.db2.gz NNVAMWBQNKIBRN-UHFFFAOYSA-N 0 1 395.301 3.284 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)c(F)cc1Br ZINC000572036677 567608851 /nfs/dbraw/zinc/60/88/51/567608851.db2.gz ZUHKTRMCIRRYIP-UHFFFAOYSA-N 0 1 376.251 3.475 20 0 GGADMN C[C@H](O)C[C@@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211185 567608914 /nfs/dbraw/zinc/60/89/14/567608914.db2.gz LRRSOCOROQNMEK-RYUDHWBXSA-N 0 1 395.301 3.160 20 0 GGADMN CCc1noc(C)c1C[N@@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000572049828 567610161 /nfs/dbraw/zinc/61/01/61/567610161.db2.gz SQHSJZMGGSELFS-INIZCTEOSA-N 0 1 379.254 3.319 20 0 GGADMN CCc1noc(C)c1C[N@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000572049828 567610167 /nfs/dbraw/zinc/61/01/67/567610167.db2.gz SQHSJZMGGSELFS-INIZCTEOSA-N 0 1 379.254 3.319 20 0 GGADMN O=C(NCc1cc(Br)ccc1F)c1ccc(-c2nnc[nH]2)cc1 ZINC000506121148 567610799 /nfs/dbraw/zinc/61/07/99/567610799.db2.gz FZSCMGFACRRJSX-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN CCOCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645196518 567611529 /nfs/dbraw/zinc/61/15/29/567611529.db2.gz OGPLBPYAJNVLFY-RYUDHWBXSA-N 0 1 375.282 3.170 20 0 GGADMN CN(Cc1ccc(Br)c(F)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459269867 567611625 /nfs/dbraw/zinc/61/16/25/567611625.db2.gz XWMRTPCQPMGCPN-UHFFFAOYSA-N 0 1 398.280 3.345 20 0 GGADMN C[N@H+](Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1)[C@@H]1CCSC1 ZINC000621808524 567612181 /nfs/dbraw/zinc/61/21/81/567612181.db2.gz MJPOXUIACLRISW-SECBINFHSA-N 0 1 388.262 3.281 20 0 GGADMN C[N@@H+](Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1)[C@@H]1CCSC1 ZINC000621808524 567612187 /nfs/dbraw/zinc/61/21/87/567612187.db2.gz MJPOXUIACLRISW-SECBINFHSA-N 0 1 388.262 3.281 20 0 GGADMN O=S(=O)(NC1CCN(CCc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000459306025 567612575 /nfs/dbraw/zinc/61/25/75/567612575.db2.gz IFEWMTKXQAXXRI-UHFFFAOYSA-N 0 1 378.925 3.325 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(Br)cn1C)c1ccc(Cl)cc1 ZINC000530590128 567612761 /nfs/dbraw/zinc/61/27/61/567612761.db2.gz DDZVNJNXELWNBK-HNNXBMFYSA-N 0 1 384.705 3.474 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000506170681 567613092 /nfs/dbraw/zinc/61/30/92/567613092.db2.gz PMIXZNWCSRUKGI-OAHLLOKOSA-N 0 1 388.339 3.192 20 0 GGADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2sccc2Br)cn1 ZINC000572093831 567613284 /nfs/dbraw/zinc/61/32/84/567613284.db2.gz YGSGKQWDTPGJCY-YVLXSGLVSA-N 0 1 397.342 3.398 20 0 GGADMN O=S(=O)(NC1CCN(CCc2cccc(Cl)c2)CC1)c1cccs1 ZINC000459306243 567613393 /nfs/dbraw/zinc/61/33/93/567613393.db2.gz IKTLDORQQHFPTM-UHFFFAOYSA-N 0 1 384.954 3.387 20 0 GGADMN O=S(=O)(c1cccc(Cl)c1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000480605308 567615127 /nfs/dbraw/zinc/61/51/27/567615127.db2.gz ZQVMCRNFFBRBKF-CALCHBBNSA-N 0 1 376.909 3.093 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c(Br)c1 ZINC000440076521 567615392 /nfs/dbraw/zinc/61/53/92/567615392.db2.gz JDXZPVIFVMBUGV-KGLIPLIRSA-N 0 1 389.359 3.156 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000440075862 567615825 /nfs/dbraw/zinc/61/58/25/567615825.db2.gz TZOZTEQZXOFFPJ-SCLBCKFNSA-N 0 1 382.913 3.318 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000665252864 567615787 /nfs/dbraw/zinc/61/57/87/567615787.db2.gz NKIUTYYRAFYSMG-INIZCTEOSA-N 0 1 391.313 3.074 20 0 GGADMN CC(C)CN1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2O)CC1=O ZINC000530656285 567616195 /nfs/dbraw/zinc/61/61/95/567616195.db2.gz BVMQSVHVRQZWGK-VIFPVBQESA-N 0 1 389.677 3.251 20 0 GGADMN COc1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)sn1 ZINC000621859693 567616203 /nfs/dbraw/zinc/61/62/03/567616203.db2.gz OJCGKXGOPCYTAF-UHFFFAOYSA-N 0 1 379.913 3.447 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCc2cn[nH]c2)CC1 ZINC000459342427 567616418 /nfs/dbraw/zinc/61/64/18/567616418.db2.gz QXSNTIJLJZZMJZ-SFHVURJKSA-N 0 1 377.330 3.484 20 0 GGADMN O=C(Nc1nnc(-c2ccsc2)s1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000621854028 567616630 /nfs/dbraw/zinc/61/66/30/567616630.db2.gz GXQODYPOQGBGMZ-UWVGGRQHSA-N 0 1 393.412 3.189 20 0 GGADMN Cc1cc(C)n(CCN[C@@H](C)c2cc3c(cc2Br)OCCO3)n1 ZINC000552922472 567617385 /nfs/dbraw/zinc/61/73/85/567617385.db2.gz FHHWDGQVBMUVTO-ZDUSSCGKSA-N 0 1 380.286 3.384 20 0 GGADMN COc1ccc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)c(Br)c1 ZINC000459365181 567618040 /nfs/dbraw/zinc/61/80/40/567618040.db2.gz BDMWEQCQFWSJSA-UHFFFAOYSA-N 0 1 382.262 3.195 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000480658065 567618404 /nfs/dbraw/zinc/61/84/04/567618404.db2.gz CGRPOCPPSOHPFO-AWEZNQCLSA-N 0 1 382.291 3.435 20 0 GGADMN CC(=O)c1ccc(NCc2n[nH]c(C3CC3)n2)c(I)c1 ZINC000596251029 567618855 /nfs/dbraw/zinc/61/88/55/567618855.db2.gz XZJJJGOMXXRDRN-UHFFFAOYSA-N 0 1 382.205 3.101 20 0 GGADMN COCc1c(Br)cccc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459369314 567618879 /nfs/dbraw/zinc/61/88/79/567618879.db2.gz GKCVVDNIKFBFDQ-UHFFFAOYSA-N 0 1 396.289 3.333 20 0 GGADMN CCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(Br)cc32)[C@@H](C)C1 ZINC000552986229 567619240 /nfs/dbraw/zinc/61/92/40/567619240.db2.gz RZWPQNJFRBYFFM-LBPRGKRZSA-N 0 1 378.314 3.334 20 0 GGADMN COC(=O)CC1(NCC(=O)Nc2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000459392694 567620841 /nfs/dbraw/zinc/62/08/41/567620841.db2.gz DXYILQXIVFSJJT-UHFFFAOYSA-N 0 1 378.778 3.373 20 0 GGADMN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Br)cc2C)[C@H]1SC ZINC000459384289 567620849 /nfs/dbraw/zinc/62/08/49/567620849.db2.gz HZJLUQILMIFQTO-IIAWOOMASA-N 0 1 387.343 3.195 20 0 GGADMN C[C@@H](NCCn1cc(Cl)cn1)c1cc2c(cc1Br)OCCO2 ZINC000459394655 567620999 /nfs/dbraw/zinc/62/09/99/567620999.db2.gz OIPRBUJREPKGGR-SNVBAGLBSA-N 0 1 386.677 3.421 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CCC12CCC2 ZINC000530723697 567621042 /nfs/dbraw/zinc/62/10/42/567621042.db2.gz WVTXHCGWKWPORA-UHFFFAOYSA-N 0 1 376.258 3.072 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCC12CCC2 ZINC000530723697 567621048 /nfs/dbraw/zinc/62/10/48/567621048.db2.gz WVTXHCGWKWPORA-UHFFFAOYSA-N 0 1 376.258 3.072 20 0 GGADMN Oc1cccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1Br ZINC000459406385 567621682 /nfs/dbraw/zinc/62/16/82/567621682.db2.gz CYDQHUFONWZBBN-CJNGLKHVSA-N 0 1 386.236 3.482 20 0 GGADMN CC1(C)C[N@H+](C2(CN=c3[n-]c(C(F)(F)F)ns3)CCCCC2)CCO1 ZINC000553057771 567623216 /nfs/dbraw/zinc/62/32/16/567623216.db2.gz TUPFIQWKRXOSFE-UHFFFAOYSA-N 0 1 378.464 3.204 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cccc(Br)c1F ZINC000506378286 567623612 /nfs/dbraw/zinc/62/36/12/567623612.db2.gz IIUQNGGLLYIMFD-AWEZNQCLSA-N 0 1 389.228 3.420 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Br)s1 ZINC000506389451 567623993 /nfs/dbraw/zinc/62/39/93/567623993.db2.gz QYEJIOGKAVDLQD-NSHDSACASA-N 0 1 377.267 3.343 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OC)cc2Br)[C@H]1SC ZINC000459434868 567624588 /nfs/dbraw/zinc/62/45/88/567624588.db2.gz VDSUWJPTXLREPD-DAXOMENPSA-N 0 1 390.343 3.465 20 0 GGADMN O=C(Cc1cccc(Br)c1)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506400196 567625676 /nfs/dbraw/zinc/62/56/76/567625676.db2.gz WPVWLOCRFNSRBB-INIZCTEOSA-N 0 1 385.265 3.210 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Br)cs1 ZINC000506397339 567625706 /nfs/dbraw/zinc/62/57/06/567625706.db2.gz PQHLRGYUSSWLHZ-GFCCVEGCSA-N 0 1 377.267 3.343 20 0 GGADMN Cc1cc(F)c(CNCCOc2ccc(NS(C)(=O)=O)cc2)c(Cl)c1 ZINC000459456972 567625854 /nfs/dbraw/zinc/62/58/54/567625854.db2.gz FYPWCNQLALBUNT-UHFFFAOYSA-N 0 1 386.876 3.328 20 0 GGADMN Cc1nc2ccc(Br)cn2c1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000480739979 567626315 /nfs/dbraw/zinc/62/63/15/567626315.db2.gz UWVPZQIDLHJWPE-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cn2ccsc2n1)c1ccc(Cl)cc1 ZINC000530839856 567626510 /nfs/dbraw/zinc/62/65/10/567626510.db2.gz QBTLGLJVSAYMKN-HNNXBMFYSA-N 0 1 377.901 3.151 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cn2ccsc2n1)c1ccc(Cl)cc1 ZINC000530839859 567626881 /nfs/dbraw/zinc/62/68/81/567626881.db2.gz QBTLGLJVSAYMKN-OAHLLOKOSA-N 0 1 377.901 3.151 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000480750362 567627352 /nfs/dbraw/zinc/62/73/52/567627352.db2.gz NXIXSYMCIFFAAV-BONVTDFDSA-N 0 1 378.307 3.452 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2cc(F)c(Br)cc2F)n[nH]1 ZINC000459459627 567627476 /nfs/dbraw/zinc/62/74/76/567627476.db2.gz GSCQCULHTHOSGI-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@H+]1CCCC[C@@H]1C ZINC000506509347 567627944 /nfs/dbraw/zinc/62/79/44/567627944.db2.gz IHBXHOKILGYHTL-QWHCGFSZSA-N 0 1 379.302 3.090 20 0 GGADMN O=S1(=O)CCC[C@@H](N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000480759746 567628444 /nfs/dbraw/zinc/62/84/44/567628444.db2.gz QACMHKJBXRKLKO-CABCVRRESA-N 0 1 376.291 3.206 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)o1 ZINC000572287210 567628578 /nfs/dbraw/zinc/62/85/78/567628578.db2.gz HIZUPFABKKEVEB-CYBMUJFWSA-N 0 1 379.254 3.197 20 0 GGADMN O=S1(=O)CCC[C@H](N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000480759747 567628810 /nfs/dbraw/zinc/62/88/10/567628810.db2.gz QACMHKJBXRKLKO-GJZGRUSLSA-N 0 1 376.291 3.206 20 0 GGADMN CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(O)c3Br)CC2)CC1 ZINC000459484932 567629207 /nfs/dbraw/zinc/62/92/07/567629207.db2.gz OINAKBSWFITHMS-UHFFFAOYSA-N 0 1 396.373 3.004 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000440475033 567629674 /nfs/dbraw/zinc/62/96/74/567629674.db2.gz CMWKEHDKZOFKFR-LJQANCHMSA-N 0 1 378.925 3.174 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1Cl ZINC000530893928 567629808 /nfs/dbraw/zinc/62/98/08/567629808.db2.gz PLBGDTFWWJBSGF-UHFFFAOYSA-N 0 1 375.233 3.458 20 0 GGADMN O=C([O-])C[N@@H+](CCc1ccc(Cl)cc1Cl)Cc1cn(CC2CC2)nn1 ZINC000572296115 567629950 /nfs/dbraw/zinc/62/99/50/567629950.db2.gz ONACKEDYRKUSHM-UHFFFAOYSA-N 0 1 383.279 3.124 20 0 GGADMN Cc1sc(Br)c(C(=O)Nc2ccn(-c3ccncc3)n2)c1C ZINC000440476242 567629850 /nfs/dbraw/zinc/62/98/50/567629850.db2.gz GCZZAQRHWZKTCE-UHFFFAOYSA-N 0 1 377.267 3.382 20 0 GGADMN CCCOc1c(Br)cc(CN[C@H]2CCCN(C)C2=O)cc1OCC ZINC000530883390 567630059 /nfs/dbraw/zinc/63/00/59/567630059.db2.gz UETSPDVUJVABOQ-HNNXBMFYSA-N 0 1 399.329 3.347 20 0 GGADMN OC[C@]1(NCCOc2cc(F)cc(Br)c2)CCOc2ccccc21 ZINC000440466396 567630110 /nfs/dbraw/zinc/63/01/10/567630110.db2.gz PKIKBOQVRILPJL-GOSISDBHSA-N 0 1 396.256 3.227 20 0 GGADMN Cc1csc(C(C)(C)NCCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)n1 ZINC000440492160 567630908 /nfs/dbraw/zinc/63/09/08/567630908.db2.gz XRCLRECRMNPABR-UHFFFAOYSA-N 0 1 380.901 3.057 20 0 GGADMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C)ccc2C)c1OC ZINC000506577229 567631222 /nfs/dbraw/zinc/63/12/22/567631222.db2.gz HPCYEXKXTAKUCY-UHFFFAOYSA-N 0 1 382.869 3.126 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000480783922 567631240 /nfs/dbraw/zinc/63/12/40/567631240.db2.gz ALHNOEMRBKCYNG-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(SC)cc2)c1 ZINC000506576515 567631371 /nfs/dbraw/zinc/63/13/71/567631371.db2.gz FKMZMLFEJGEZMO-UHFFFAOYSA-N 0 1 381.475 3.395 20 0 GGADMN COCCN(Cc1ccc(Br)s1)CC1(CC(=O)OC)CC1 ZINC000440526782 567631899 /nfs/dbraw/zinc/63/18/99/567631899.db2.gz YNYWJQXINHDMIZ-UHFFFAOYSA-N 0 1 376.316 3.302 20 0 GGADMN O=S(=O)(Cc1cccc(NS(=O)(=O)c2ccoc2)c1)c1ccccc1 ZINC000506599427 567632247 /nfs/dbraw/zinc/63/22/47/567632247.db2.gz AWBZYXJUPRILSA-UHFFFAOYSA-N 0 1 377.443 3.054 20 0 GGADMN COc1nc(N2CCN([C@@H](C)c3ccccc3)CC2)ncc1Br ZINC000530949338 567632869 /nfs/dbraw/zinc/63/28/69/567632869.db2.gz AWZLCYJSHNHDIH-ZDUSSCGKSA-N 0 1 377.286 3.131 20 0 GGADMN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000506596181 567633147 /nfs/dbraw/zinc/63/31/47/567633147.db2.gz TWSDNWSQEYLSBQ-UHFFFAOYSA-N 0 1 383.853 3.255 20 0 GGADMN O=S(=O)(Nc1ccnn1Cc1cccc(Br)c1)c1ccoc1 ZINC000506611135 567633886 /nfs/dbraw/zinc/63/38/86/567633886.db2.gz KVBXUMVKJXLMES-UHFFFAOYSA-N 0 1 382.239 3.088 20 0 GGADMN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@H]1SC ZINC000459523194 567634145 /nfs/dbraw/zinc/63/41/45/567634145.db2.gz SHAJDZNYADMAOJ-CAOSSQGBSA-N 0 1 399.354 3.053 20 0 GGADMN O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc(Br)ccc1[O-] ZINC000572392479 567635207 /nfs/dbraw/zinc/63/52/07/567635207.db2.gz SCMDEZCFJPZZMD-UHFFFAOYSA-N 0 1 382.283 3.331 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2-n2cccn2)cn1 ZINC000506638177 567635062 /nfs/dbraw/zinc/63/50/62/567635062.db2.gz BRUHPCJCEMJNJF-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN O=C1C[C@@H](NCc2cc(C(F)(F)F)n[nH]2)CN1c1ccc(Cl)c(F)c1 ZINC000440626602 567635527 /nfs/dbraw/zinc/63/55/27/567635527.db2.gz REDHBUXNVZVQKT-SECBINFHSA-N 0 1 376.741 3.116 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1csnn1 ZINC000665691410 567635971 /nfs/dbraw/zinc/63/59/71/567635971.db2.gz IVSHYXVNVYCSOR-LRDDRELGSA-N 0 1 379.917 3.389 20 0 GGADMN CCOc1cc(CN2C[C@@H](C)[C@](C)(C(=O)OC)C2)cc(Br)c1O ZINC000459543532 567636443 /nfs/dbraw/zinc/63/64/43/567636443.db2.gz MNHOITQGEASPQN-PIGZYNQJSA-N 0 1 386.286 3.184 20 0 GGADMN Brc1ccc(/C=C/CCN2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000531018756 567636918 /nfs/dbraw/zinc/63/69/18/567636918.db2.gz KXLUHNJOULPQKG-HNQUOIGGSA-N 0 1 375.314 3.393 20 0 GGADMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc(F)cc2nc[nH]c21 ZINC000506654761 567637125 /nfs/dbraw/zinc/63/71/25/567637125.db2.gz VUHLBZOVCQNDOA-ZDUSSCGKSA-N 0 1 394.175 3.467 20 0 GGADMN Brc1ccc(/C=C\CCN2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000531018757 567637202 /nfs/dbraw/zinc/63/72/02/567637202.db2.gz KXLUHNJOULPQKG-IWQZZHSRSA-N 0 1 375.314 3.393 20 0 GGADMN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000622117036 567637520 /nfs/dbraw/zinc/63/75/20/567637520.db2.gz OYLBMKVNCCXMOV-SECBINFHSA-N 0 1 378.841 3.116 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNCc1ccc2c(c1)ncn2C ZINC000553238907 567638009 /nfs/dbraw/zinc/63/80/09/567638009.db2.gz MZIOQZJJYUBFTE-UHFFFAOYSA-N 0 1 387.281 3.373 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N(C)Cc2n[nH]c(=O)o2)ccc1Br ZINC000622116361 567638333 /nfs/dbraw/zinc/63/83/33/567638333.db2.gz WKXDOTMJEDSKAH-UHFFFAOYSA-N 0 1 382.258 3.073 20 0 GGADMN C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cncc(Br)c1 ZINC000572424318 567638325 /nfs/dbraw/zinc/63/83/25/567638325.db2.gz DCOQMHHRJOSPNW-NSHDSACASA-N 0 1 381.295 3.025 20 0 GGADMN CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000506711205 567639631 /nfs/dbraw/zinc/63/96/31/567639631.db2.gz OOUSCWKAYZOACL-UHFFFAOYSA-N 0 1 380.294 3.141 20 0 GGADMN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2csc3ccccc32)c1 ZINC000506726221 567639721 /nfs/dbraw/zinc/63/97/21/567639721.db2.gz LGKOYVGWYWTCJJ-UHFFFAOYSA-N 0 1 382.488 3.074 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3cc4c(cc3Br)OCCO4)C2)cn1 ZINC000531105127 567640253 /nfs/dbraw/zinc/64/02/53/567640253.db2.gz UZZSAEOECUHERC-CYBMUJFWSA-N 0 1 392.297 3.018 20 0 GGADMN C[C@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@@H](c1ccccc1)N(C)C ZINC000480894259 567640226 /nfs/dbraw/zinc/64/02/26/567640226.db2.gz FAXAKPSJCZDQQN-UGSOOPFHSA-N 0 1 375.519 3.266 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cn1 ZINC000506708583 567640254 /nfs/dbraw/zinc/64/02/54/567640254.db2.gz VSZVJRYSHSMPBG-UHFFFAOYSA-N 0 1 376.463 3.400 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000506727934 567640275 /nfs/dbraw/zinc/64/02/75/567640275.db2.gz CQCPQXMGWHVBHW-UHFFFAOYSA-N 0 1 396.749 3.057 20 0 GGADMN CCS(=O)(=O)NCCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459593938 567640994 /nfs/dbraw/zinc/64/09/94/567640994.db2.gz PWNIIEIOCKMIKP-MRXNPFEDSA-N 0 1 384.933 3.073 20 0 GGADMN CC[C@@](C)(NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1nccs1 ZINC000440704036 567641059 /nfs/dbraw/zinc/64/10/59/567641059.db2.gz UIZACOVURNIYJX-QGZVFWFLSA-N 0 1 380.901 3.139 20 0 GGADMN CON1CCC(N(C)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000459587732 567641482 /nfs/dbraw/zinc/64/14/82/567641482.db2.gz NIAGBQYJAZLJPF-UHFFFAOYSA-N 0 1 379.810 3.255 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000480901506 567641598 /nfs/dbraw/zinc/64/15/98/567641598.db2.gz TXLABZZJFOSBRC-ACJLOTCBSA-N 0 1 382.913 3.318 20 0 GGADMN O=C(NCCCCSc1ccccc1Br)NCCN1CCC1 ZINC000506736387 567641863 /nfs/dbraw/zinc/64/18/63/567641863.db2.gz FRIFVAYHZGZXNB-UHFFFAOYSA-N 0 1 386.359 3.326 20 0 GGADMN CC(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000440739133 567642039 /nfs/dbraw/zinc/64/20/39/567642039.db2.gz AJKZNSDJVUKLLY-CYBMUJFWSA-N 0 1 387.299 3.144 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)n[nH]1 ZINC000553297167 567642291 /nfs/dbraw/zinc/64/22/91/567642291.db2.gz IZOBZCJSHKKOPO-SNVBAGLBSA-N 0 1 389.253 3.285 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)CCN1C ZINC000645565742 567642710 /nfs/dbraw/zinc/64/27/10/567642710.db2.gz UIKFYHAUSCBFGZ-GWCFXTLKSA-N 0 1 395.750 3.005 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)CCN1C ZINC000645565751 567642947 /nfs/dbraw/zinc/64/29/47/567642947.db2.gz UIKFYHAUSCBFGZ-MFKMUULPSA-N 0 1 395.750 3.005 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cncc(Br)c2)C1=O ZINC000572497961 567643375 /nfs/dbraw/zinc/64/33/75/567643375.db2.gz DIGZCALMJYTFMR-IUODEOHRSA-N 0 1 390.281 3.309 20 0 GGADMN O=C(CNC(=O)CC1CCCC1)Nc1cc(Cl)cc(Br)c1O ZINC000531133951 567643458 /nfs/dbraw/zinc/64/34/58/567643458.db2.gz LFVWQDALYITSDE-UHFFFAOYSA-N 0 1 389.677 3.443 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccccc1Br)c1cncc(F)c1 ZINC000459623098 567643925 /nfs/dbraw/zinc/64/39/25/567643925.db2.gz PMKSRPXYOFSXNH-LBPRGKRZSA-N 0 1 380.261 3.292 20 0 GGADMN Cc1nnc2ccc(C(=O)Nc3cc(Cl)cc(Br)c3O)cn12 ZINC000531133994 567643916 /nfs/dbraw/zinc/64/39/16/567643916.db2.gz VHAULOXKNWNKPT-UHFFFAOYSA-N 0 1 381.617 3.412 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCC(F)(F)c1ccc(Br)cc1 ZINC000622207544 567643952 /nfs/dbraw/zinc/64/39/52/567643952.db2.gz KFVDEHORRMXOKV-UHFFFAOYSA-N 0 1 387.228 3.188 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)c1nc2c(s1)CCC2 ZINC000459633987 567644238 /nfs/dbraw/zinc/64/42/38/567644238.db2.gz GYRCMOCJYHROGC-DGCLKSJQSA-N 0 1 397.338 3.485 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000506792679 567644233 /nfs/dbraw/zinc/64/42/33/567644233.db2.gz CZCZTBVGQBXQAE-UHFFFAOYSA-N 0 1 385.869 3.347 20 0 GGADMN C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1nc2c(s1)CCC2 ZINC000459634456 567644735 /nfs/dbraw/zinc/64/47/35/567644735.db2.gz NENTVBIZXPVRHR-AAEUAGOBSA-N 0 1 397.338 3.485 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccsc1 ZINC000506818539 567644799 /nfs/dbraw/zinc/64/47/99/567644799.db2.gz DMLPROUTUVHWMX-UHFFFAOYSA-N 0 1 392.424 3.404 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000506800756 567644860 /nfs/dbraw/zinc/64/48/60/567644860.db2.gz ZWCHHPTWICEGGR-UHFFFAOYSA-N 0 1 385.869 3.347 20 0 GGADMN CN(C)[C@H](CNC(=O)c1csc(-c2ncccc2F)n1)c1ccsc1 ZINC000506817199 567644912 /nfs/dbraw/zinc/64/49/12/567644912.db2.gz SGHSAPZCROWRGW-CQSZACIVSA-N 0 1 376.482 3.438 20 0 GGADMN CO[C@@H](CS(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000645596980 567645624 /nfs/dbraw/zinc/64/56/24/567645624.db2.gz XYXCFPXJRLGCQQ-CVEARBPZSA-N 0 1 383.901 3.108 20 0 GGADMN OC[C@]1(NCc2cc3c(c(Br)c2)OCO3)CCCc2ccccc21 ZINC000440817575 567645921 /nfs/dbraw/zinc/64/59/21/567645921.db2.gz GYVQTKFNFCLOHO-LJQANCHMSA-N 0 1 390.277 3.492 20 0 GGADMN O=C(CN[C@]1(CO)CCCc2ccccc21)Nc1ccc(Br)cc1 ZINC000440819914 567645967 /nfs/dbraw/zinc/64/59/67/567645967.db2.gz JXLGVKGWZUVYNU-IBGZPJMESA-N 0 1 389.293 3.201 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2ccc(C)c(Br)c2)c1 ZINC000459647704 567645936 /nfs/dbraw/zinc/64/59/36/567645936.db2.gz OOJBYLNELYUISJ-UHFFFAOYSA-N 0 1 397.338 3.346 20 0 GGADMN CCS(=O)(=O)CCCCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662120 567647056 /nfs/dbraw/zinc/64/70/56/567647056.db2.gz NIUNPCKMBYQOLS-OAHLLOKOSA-N 0 1 385.492 3.272 20 0 GGADMN CCn1nc(C)c(CNCC(=O)Nc2ccc(Br)cc2C)c1C ZINC000553370817 567647475 /nfs/dbraw/zinc/64/74/75/567647475.db2.gz MHWZDPGGGAXVGO-UHFFFAOYSA-N 0 1 379.302 3.319 20 0 GGADMN COC(=O)CCC1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000531240574 567647627 /nfs/dbraw/zinc/64/76/27/567647627.db2.gz GGYFLCIQLDHQSV-CYBMUJFWSA-N 0 1 397.313 3.441 20 0 GGADMN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000572536837 567647806 /nfs/dbraw/zinc/64/78/06/567647806.db2.gz DFHPMKAACXYSFY-UHFFFAOYSA-N 0 1 382.869 3.241 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506915351 567648312 /nfs/dbraw/zinc/64/83/12/567648312.db2.gz XGAHHEFBLWTYLH-UHFFFAOYSA-N 0 1 379.136 3.155 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CCN1C ZINC000506891340 567648471 /nfs/dbraw/zinc/64/84/71/567648471.db2.gz OAKCCWGQSRRXRQ-QGZVFWFLSA-N 0 1 391.313 3.047 20 0 GGADMN O=[S@@](CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459667858 567648722 /nfs/dbraw/zinc/64/87/22/567648722.db2.gz SMMRAAAALJBBBL-LMKMVOKYSA-N 0 1 375.456 3.475 20 0 GGADMN Cc1cccc(CS(=O)(=O)CCC(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000622519176 567649338 /nfs/dbraw/zinc/64/93/38/567649338.db2.gz SWXPKMFQGFXHHH-UHFFFAOYSA-N 0 1 385.844 3.437 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000440941578 567649610 /nfs/dbraw/zinc/64/96/10/567649610.db2.gz RGKZQTRDOLRCNQ-QGZVFWFLSA-N 0 1 377.487 3.155 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cccc(I)c1 ZINC000506922651 567649863 /nfs/dbraw/zinc/64/98/63/567649863.db2.gz JVJHYUVNRCXBQZ-UHFFFAOYSA-N 0 1 381.095 3.285 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1I ZINC000506917504 567649910 /nfs/dbraw/zinc/64/99/10/567649910.db2.gz NVCRWCMMJCZDEU-UHFFFAOYSA-N 0 1 381.095 3.285 20 0 GGADMN Cc1nc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(Br)s1 ZINC000553393509 567650067 /nfs/dbraw/zinc/65/00/67/567650067.db2.gz VTVFRIHJPVUGSU-NSHDSACASA-N 0 1 394.338 3.391 20 0 GGADMN Cc1nc2c(s1)[C@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)CCC2 ZINC000481017727 567651404 /nfs/dbraw/zinc/65/14/04/567651404.db2.gz DAWQCUAWAJATPT-MRXNPFEDSA-N 0 1 379.551 3.305 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000481011731 567651637 /nfs/dbraw/zinc/65/16/37/567651637.db2.gz JNWWORRQSYVWKM-OAHLLOKOSA-N 0 1 378.460 3.334 20 0 GGADMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1ccc(Br)cc1Cl ZINC000622609873 567652039 /nfs/dbraw/zinc/65/20/39/567652039.db2.gz JWJKPPPVGPCTAK-ZDUSSCGKSA-N 0 1 392.644 3.135 20 0 GGADMN Cc1nc2c(s1)[C@@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)CCC2 ZINC000481017725 567652055 /nfs/dbraw/zinc/65/20/55/567652055.db2.gz DAWQCUAWAJATPT-INIZCTEOSA-N 0 1 379.551 3.305 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CCCC[C@H]1C ZINC000481031921 567652508 /nfs/dbraw/zinc/65/25/08/567652508.db2.gz BLIAZDZDDPIAJA-ZIAGYGMSSA-N 0 1 378.460 3.333 20 0 GGADMN C[C@@H](COCC(F)(F)F)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531318815 567652993 /nfs/dbraw/zinc/65/29/93/567652993.db2.gz VZPCSUXPBSQFPF-FZMZJTMJSA-N 0 1 381.826 3.209 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000622732399 567653007 /nfs/dbraw/zinc/65/30/07/567653007.db2.gz NVQHVHSOXGPDMG-UHFFFAOYSA-N 0 1 389.323 3.332 20 0 GGADMN CC(C)NS(=O)(=O)[C@@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000441086180 567653158 /nfs/dbraw/zinc/65/31/58/567653158.db2.gz APSFTXRIRINJGV-CQSZACIVSA-N 0 1 376.975 3.224 20 0 GGADMN O=C(Nc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1)c1ccoc1 ZINC000507006227 567654367 /nfs/dbraw/zinc/65/43/67/567654367.db2.gz DJRMIHRRDRYNAR-UHFFFAOYSA-N 0 1 377.809 3.381 20 0 GGADMN Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507009270 567654539 /nfs/dbraw/zinc/65/45/39/567654539.db2.gz XWIOWOMVMGAPRS-UHFFFAOYSA-N 0 1 380.882 3.421 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1csc(I)c1 ZINC000507020320 567654709 /nfs/dbraw/zinc/65/47/09/567654709.db2.gz DMFLKWFHFBKHBJ-UHFFFAOYSA-N 0 1 387.124 3.347 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000622760221 567654711 /nfs/dbraw/zinc/65/47/11/567654711.db2.gz NSMGPHPAPFXBAK-UHFFFAOYSA-N 0 1 378.841 3.243 20 0 GGADMN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2ncc(C(C)(C)C)s2)CC1 ZINC000572648196 567655150 /nfs/dbraw/zinc/65/51/50/567655150.db2.gz RNMSQIAWXCKNHP-CQSZACIVSA-N 0 1 387.615 3.323 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000481072796 567655874 /nfs/dbraw/zinc/65/58/74/567655874.db2.gz AVHLNGAEEACMOS-GFCCVEGCSA-N 0 1 379.791 3.438 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1Cl ZINC000481072556 567655887 /nfs/dbraw/zinc/65/58/87/567655887.db2.gz OFEJKQNPPILYFD-LLVKDONJSA-N 0 1 390.690 3.182 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1Cl ZINC000481072558 567655907 /nfs/dbraw/zinc/65/59/07/567655907.db2.gz OFEJKQNPPILYFD-NSHDSACASA-N 0 1 390.690 3.182 20 0 GGADMN O=S(=O)(Cc1ccccc1Br)Nc1ncc(C(F)(F)F)[nH]1 ZINC000572657408 567656503 /nfs/dbraw/zinc/65/65/03/567656503.db2.gz JKKQQXRVFWYCGO-UHFFFAOYSA-N 0 1 384.177 3.133 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(OC(F)F)c(Cl)c1 ZINC000481074193 567656872 /nfs/dbraw/zinc/65/68/72/567656872.db2.gz DBEGVBQODKSWJD-LLVKDONJSA-N 0 1 377.800 3.020 20 0 GGADMN COc1c(Br)cccc1CNCc1cccc(N2CCC2=O)c1 ZINC000441206272 567658035 /nfs/dbraw/zinc/65/80/35/567658035.db2.gz VRXVKUNSEPIKRN-UHFFFAOYSA-N 0 1 375.266 3.484 20 0 GGADMN CC[C@@H](C)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000481114451 567659378 /nfs/dbraw/zinc/65/93/78/567659378.db2.gz VEEPJKPWZIEGNE-GFCCVEGCSA-N 0 1 395.388 3.253 20 0 GGADMN NC(=O)C1(NCc2cc(Br)ccc2F)C2CC3CC(C2)CC1C3 ZINC000459780089 567659383 /nfs/dbraw/zinc/65/93/83/567659383.db2.gz MULNXDZTJPMGJE-UHFFFAOYSA-N 0 1 381.289 3.358 20 0 GGADMN Cc1nc(=NC(=O)c2ccc(-c3ccc(Br)s3)s2)[nH]n1C ZINC000553505704 567660631 /nfs/dbraw/zinc/66/06/31/567660631.db2.gz DXKXYSXLUCDSPE-UHFFFAOYSA-N 0 1 383.296 3.350 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)[C@](C)(N)c1ccc(Br)cc1)CC2 ZINC000645741974 567661594 /nfs/dbraw/zinc/66/15/94/567661594.db2.gz GFYUPQVHEIAHSZ-LJQANCHMSA-N 0 1 389.293 3.217 20 0 GGADMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000553547217 567664243 /nfs/dbraw/zinc/66/42/43/567664243.db2.gz MFKCDXKGZCULFS-ZDUSSCGKSA-N 0 1 397.338 3.345 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cn2)sc1Br ZINC000572787754 567665493 /nfs/dbraw/zinc/66/54/93/567665493.db2.gz YIHPYWUGOSQEFF-ZCFIWIBFSA-N 0 1 396.719 3.302 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cc(I)cc(C)c2C)n1 ZINC000481260737 567666579 /nfs/dbraw/zinc/66/65/79/567666579.db2.gz OXTRFYLTROONGY-UHFFFAOYSA-N 0 1 388.234 3.000 20 0 GGADMN C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1Br ZINC000507208576 567666775 /nfs/dbraw/zinc/66/67/75/567666775.db2.gz GPJJOTYVHDNERH-RISCZKNCSA-N 0 1 381.236 3.363 20 0 GGADMN O=S(=O)(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1c(F)cccc1F ZINC000481259358 567666797 /nfs/dbraw/zinc/66/67/97/567666797.db2.gz ZUEUBDIQOFIFJR-SMDDNHRTSA-N 0 1 375.343 3.401 20 0 GGADMN C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1ccccc1Br ZINC000507208172 567666951 /nfs/dbraw/zinc/66/69/51/567666951.db2.gz GPJJOTYVHDNERH-FZMZJTMJSA-N 0 1 381.236 3.363 20 0 GGADMN COc1cccc(C2(CN[C@H](C(N)=O)c3ccc(Br)cc3)CC2)c1 ZINC000572808435 567667534 /nfs/dbraw/zinc/66/75/34/567667534.db2.gz IKOHMAJUMOQXAS-KRWDZBQOSA-N 0 1 389.293 3.306 20 0 GGADMN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000441536919 567668376 /nfs/dbraw/zinc/66/83/76/567668376.db2.gz RTRKKPSIVUNESK-MLGOLLRUSA-N 0 1 382.917 3.330 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccncc1Br ZINC000507228945 567668635 /nfs/dbraw/zinc/66/86/35/567668635.db2.gz BCFOYEXZFQHEHN-OAHLLOKOSA-N 0 1 393.285 3.208 20 0 GGADMN CC1CCN(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000441538507 567669105 /nfs/dbraw/zinc/66/91/05/567669105.db2.gz ZYRIEPPOIMBVCK-INIZCTEOSA-N 0 1 382.917 3.330 20 0 GGADMN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000441536922 567669152 /nfs/dbraw/zinc/66/91/52/567669152.db2.gz RTRKKPSIVUNESK-WBMJQRKESA-N 0 1 382.917 3.330 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cncs1 ZINC000481322201 567670646 /nfs/dbraw/zinc/67/06/46/567670646.db2.gz LOJVWIOHBAFUAC-LSDHHAIUSA-N 0 1 379.551 3.415 20 0 GGADMN CCC[C@@]12CCCN1C(=O)N(Cc1nc3cccc(Br)c3[nH]1)C2=O ZINC000572858976 567670723 /nfs/dbraw/zinc/67/07/23/567670723.db2.gz ZXIYSQHCZODDRK-KRWDZBQOSA-N 0 1 391.269 3.422 20 0 GGADMN C[C@@H]1CN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)S1 ZINC000531644344 567671508 /nfs/dbraw/zinc/67/15/08/567671508.db2.gz OKJJMJPUESUXTP-CHWSQXEVSA-N 0 1 376.444 3.070 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccncc1Br)c1ccco1 ZINC000507247029 567671501 /nfs/dbraw/zinc/67/15/01/567671501.db2.gz HXSWRRPDKJSLKB-CQSZACIVSA-N 0 1 381.274 3.064 20 0 GGADMN CNC(=O)COc1cccc(CN[C@H](C)c2ccccc2Br)c1 ZINC000507268631 567672234 /nfs/dbraw/zinc/67/22/34/567672234.db2.gz RZIVHPXKMGQSEY-CYBMUJFWSA-N 0 1 377.282 3.425 20 0 GGADMN CC(C)N([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCC(F)(F)F ZINC000645832922 567672398 /nfs/dbraw/zinc/67/23/98/567672398.db2.gz UOWICEHEKVMHKZ-INIZCTEOSA-N 0 1 378.460 3.254 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n[nH]1 ZINC000553636084 567672686 /nfs/dbraw/zinc/67/26/86/567672686.db2.gz WAOUASHLFQAFCS-SFYZADRCSA-N 0 1 387.665 3.174 20 0 GGADMN CNC(=O)COc1cccc(CN[C@@H](C)c2ccccc2Br)c1 ZINC000507268632 567673128 /nfs/dbraw/zinc/67/31/28/567673128.db2.gz RZIVHPXKMGQSEY-ZDUSSCGKSA-N 0 1 377.282 3.425 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000481352074 567673707 /nfs/dbraw/zinc/67/37/07/567673707.db2.gz UJSHVWKVQXUUIP-UHFFFAOYSA-N 0 1 393.266 3.064 20 0 GGADMN C[C@@H](NC[C@H](O)COc1ccccc1)c1ccccc1I ZINC000531687782 567674405 /nfs/dbraw/zinc/67/44/05/567674405.db2.gz MMFFTIZTBXPJET-KGLIPLIRSA-N 0 1 397.256 3.382 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1sccc1Br ZINC000531697578 567674503 /nfs/dbraw/zinc/67/45/03/567674503.db2.gz OFWOLDSQBTVEFF-LLVKDONJSA-N 0 1 389.340 3.140 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N[C@@H]3CCCc4cn[nH]c43)cc21 ZINC000531736107 567675719 /nfs/dbraw/zinc/67/57/19/567675719.db2.gz CNVVUMKWVLIPCT-GFCCVEGCSA-N 0 1 389.253 3.470 20 0 GGADMN C[C@@H](CNC(=O)N[C@@H]1CCCc2cn[nH]c21)Oc1cccc(Br)c1 ZINC000531719434 567675906 /nfs/dbraw/zinc/67/59/06/567675906.db2.gz NTRPMXCBZDXMDZ-XHDPSFHLSA-N 0 1 393.285 3.316 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1CCCc2cn[nH]c21)Oc1cccc(Br)c1 ZINC000531719431 567676150 /nfs/dbraw/zinc/67/61/50/567676150.db2.gz NTRPMXCBZDXMDZ-ABAIWWIYSA-N 0 1 393.285 3.316 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000553697836 567676744 /nfs/dbraw/zinc/67/67/44/567676744.db2.gz VEOBAUCTYNWNMG-SECBINFHSA-N 0 1 389.807 3.372 20 0 GGADMN O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1csc(=NC2CC2)[nH]1 ZINC000531766352 567677016 /nfs/dbraw/zinc/67/70/16/567677016.db2.gz YBMVZFHIFCXXNZ-OLZOCXBDSA-N 0 1 378.295 3.188 20 0 GGADMN CCOC(=O)C[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(C)=O ZINC000553717458 567678018 /nfs/dbraw/zinc/67/80/18/567678018.db2.gz BXRONIIEDFINKA-GFCCVEGCSA-N 0 1 398.282 3.237 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCS[C@H]2C)CC1 ZINC000645909891 567679000 /nfs/dbraw/zinc/67/90/00/567679000.db2.gz ATUVJRLVMDNHEM-ZFWWWQNUSA-N 0 1 382.961 3.497 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000531788148 567679148 /nfs/dbraw/zinc/67/91/48/567679148.db2.gz BTXDZVKTOWKXKO-UHFFFAOYSA-N 0 1 397.294 3.231 20 0 GGADMN O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CC[C@H](c2nc[nH]n2)C1 ZINC000572993583 567679523 /nfs/dbraw/zinc/67/95/23/567679523.db2.gz GGNJYHZVBMBXGE-QMMMGPOBSA-N 0 1 394.660 3.332 20 0 GGADMN CCN(CCNC(=O)N[C@@H]1CCCC[C@H]1OC(F)F)CCC(F)(F)F ZINC000507413644 567679853 /nfs/dbraw/zinc/67/98/53/567679853.db2.gz KNMPWMZWGJYMBM-VXGBXAGGSA-N 0 1 375.382 3.110 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000441974099 567679856 /nfs/dbraw/zinc/67/98/56/567679856.db2.gz HYJKUMHZMYENJO-LBPRGKRZSA-N 0 1 381.929 3.132 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3cc(Br)ccc3Cl)CC2)nn1 ZINC000572986694 567679888 /nfs/dbraw/zinc/67/98/88/567679888.db2.gz PZJHPMMQICAIIM-UHFFFAOYSA-N 0 1 399.676 3.229 20 0 GGADMN O=S(=O)(NCCOc1ncccc1Cl)c1c(Cl)ccc(F)c1F ZINC000553767771 567681908 /nfs/dbraw/zinc/68/19/08/567681908.db2.gz JWYLCAKNULTCJZ-UHFFFAOYSA-N 0 1 383.203 3.024 20 0 GGADMN COC(=O)Cc1occ(C)c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000573026195 567682014 /nfs/dbraw/zinc/68/20/14/567682014.db2.gz WBCVORSAPFCPQW-UHFFFAOYSA-N 0 1 392.209 3.195 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1Cl ZINC000531842491 567682202 /nfs/dbraw/zinc/68/22/02/567682202.db2.gz NUZGLOXFMYQURG-GFCCVEGCSA-N 0 1 383.853 3.317 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000442106606 567682582 /nfs/dbraw/zinc/68/25/82/567682582.db2.gz GHUQDKBIDSTXCT-JTQLQIEISA-N 0 1 392.830 3.386 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000442124811 567683284 /nfs/dbraw/zinc/68/32/84/567683284.db2.gz SPAHJLOFNMFLFL-SNVBAGLBSA-N 0 1 392.830 3.386 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000666538626 567683271 /nfs/dbraw/zinc/68/32/71/567683271.db2.gz XLQJKUFAUXUVFG-RISCZKNCSA-N 0 1 384.267 3.092 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc4[nH]nnc4c3)cc21 ZINC000531855344 567683508 /nfs/dbraw/zinc/68/35/08/567683508.db2.gz JEHLSTXLSHIEHA-UHFFFAOYSA-N 0 1 386.209 3.463 20 0 GGADMN CC1(C)[C@H](NCc2cn(-c3ccccc3Br)nn2)[C@H]2CCCO[C@@H]21 ZINC000553776959 567683988 /nfs/dbraw/zinc/68/39/88/567683988.db2.gz HJSIEJJTLVRESS-XYPHTWIQSA-N 0 1 391.313 3.323 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000442134388 567684028 /nfs/dbraw/zinc/68/40/28/567684028.db2.gz MGRWTVZRJVFJOH-SNVBAGLBSA-N 0 1 392.830 3.386 20 0 GGADMN O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000481524386 567684327 /nfs/dbraw/zinc/68/43/27/567684327.db2.gz XMXVNOZPPRZVSY-KBPBESRZSA-N 0 1 377.901 3.029 20 0 GGADMN COc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)c1OC ZINC000573059963 567685132 /nfs/dbraw/zinc/68/51/32/567685132.db2.gz CVUXHDSLVFYBRQ-HNNXBMFYSA-N 0 1 380.238 3.382 20 0 GGADMN O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000481524387 567685334 /nfs/dbraw/zinc/68/53/34/567685334.db2.gz XMXVNOZPPRZVSY-KGLIPLIRSA-N 0 1 377.901 3.029 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc(C)c1Cl ZINC000442232106 567686631 /nfs/dbraw/zinc/68/66/31/567686631.db2.gz WRRGJJPPSWMNGL-UHFFFAOYSA-N 0 1 391.873 3.300 20 0 GGADMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481543366 567686910 /nfs/dbraw/zinc/68/69/10/567686910.db2.gz XASSUKFRVJDWDM-AWEZNQCLSA-N 0 1 379.917 3.084 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481543367 567687017 /nfs/dbraw/zinc/68/70/17/567687017.db2.gz XASSUKFRVJDWDM-CQSZACIVSA-N 0 1 379.917 3.084 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000507583122 567687498 /nfs/dbraw/zinc/68/74/98/567687498.db2.gz LITSGILMNOZBIB-UHFFFAOYSA-N 0 1 385.800 3.269 20 0 GGADMN COc1ccc(OCCS(=O)(=O)Nc2cc(Cl)cc(F)c2F)cc1 ZINC000442239504 567687578 /nfs/dbraw/zinc/68/75/78/567687578.db2.gz TYNZPUDKFYHZOT-UHFFFAOYSA-N 0 1 377.796 3.448 20 0 GGADMN O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1cc(F)ccc1Cl ZINC000645984956 567687834 /nfs/dbraw/zinc/68/78/34/567687834.db2.gz XWXWYEHHHAWXDP-CYBMUJFWSA-N 0 1 384.173 3.304 20 0 GGADMN O=S(=O)(NCc1cccc(-n2ccnc2)c1)c1c(Cl)ccc(F)c1F ZINC000553831377 567688979 /nfs/dbraw/zinc/68/89/79/567688979.db2.gz NJHZYDQYIXZKTQ-UHFFFAOYSA-N 0 1 383.807 3.282 20 0 GGADMN O=S(=O)(NCCN[C@@H]1CCCOc2c(Cl)cccc21)c1ccccc1 ZINC000531952715 567689795 /nfs/dbraw/zinc/68/97/95/567689795.db2.gz PHROHRFGBCKVGU-QGZVFWFLSA-N 0 1 380.897 3.122 20 0 GGADMN O=C(NCCN1CCCOCC1)c1cc(Br)c2ccccc2c1 ZINC000646019315 567690168 /nfs/dbraw/zinc/69/01/68/567690168.db2.gz STNFIBKBPXORCG-UHFFFAOYSA-N 0 1 377.282 3.054 20 0 GGADMN COC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000507605818 567690271 /nfs/dbraw/zinc/69/02/71/567690271.db2.gz LIZBRODRUPGMSV-WOPDTQHZSA-N 0 1 375.296 3.300 20 0 GGADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCc3sc(Br)cc3C2)C1 ZINC000623203181 567690485 /nfs/dbraw/zinc/69/04/85/567690485.db2.gz NKSOENSZFZKAMQ-BXKDBHETSA-N 0 1 380.311 3.485 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCc3sc(Br)cc3C2)C1 ZINC000623203183 567690727 /nfs/dbraw/zinc/69/07/27/567690727.db2.gz NKSOENSZFZKAMQ-JOYOIKCWSA-N 0 1 380.311 3.485 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C(=O)OC)cc1Br ZINC000573140654 567690936 /nfs/dbraw/zinc/69/09/36/567690936.db2.gz ZINWMGXEAMYEGK-OAHLLOKOSA-N 0 1 397.313 3.116 20 0 GGADMN Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c(=O)n(C)c1 ZINC000481604372 567691154 /nfs/dbraw/zinc/69/11/54/567691154.db2.gz FCHYMRKFPNVZGL-UHFFFAOYSA-N 0 1 381.668 3.455 20 0 GGADMN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(OC)c(O)c1Br ZINC000597243853 567691721 /nfs/dbraw/zinc/69/17/21/567691721.db2.gz ZCIGQWXFVFBJAK-DYVFJYSZSA-N 0 1 386.286 3.375 20 0 GGADMN NC(=O)[C@H](N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc(F)cc1 ZINC000481606696 567691886 /nfs/dbraw/zinc/69/18/86/567691886.db2.gz JIDNBQCPJKVCNQ-APHBMKBZSA-N 0 1 381.220 3.399 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000531980064 567691856 /nfs/dbraw/zinc/69/18/56/567691856.db2.gz BCLTVGQIFQGVJX-ZBEGNZNMSA-N 0 1 395.276 3.168 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000623215956 567691947 /nfs/dbraw/zinc/69/19/47/567691947.db2.gz LBKMJOMEVSUAIS-XHDPSFHLSA-N 0 1 390.281 3.259 20 0 GGADMN COc1cc(OC)c(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)cc1Br ZINC000623210238 567692116 /nfs/dbraw/zinc/69/21/16/567692116.db2.gz HAOOGKPKPWAKQQ-ONGXEEELSA-N 0 1 394.269 3.494 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000507652058 567693799 /nfs/dbraw/zinc/69/37/99/567693799.db2.gz HEDWUHFEFPECEQ-OCCSQVGLSA-N 0 1 377.539 3.029 20 0 GGADMN CO[C@@](C)(C(=O)Nc1nc2ccc(Br)cc2[nH]1)C(=O)OC(C)(C)C ZINC000597314360 567694082 /nfs/dbraw/zinc/69/40/82/567694082.db2.gz WLOMHBXUEWLEGY-INIZCTEOSA-N 0 1 398.257 3.011 20 0 GGADMN CCOC(=O)CC(C)(C)CCN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000553890128 567696385 /nfs/dbraw/zinc/69/63/85/567696385.db2.gz GUOHYWLSCPSQSZ-MRXNPFEDSA-N 0 1 399.329 3.277 20 0 GGADMN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)o2)c1 ZINC000442595614 567697214 /nfs/dbraw/zinc/69/72/14/567697214.db2.gz BWPSEIRYEKRNJU-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)o1 ZINC000553894989 567697150 /nfs/dbraw/zinc/69/71/50/567697150.db2.gz IREGPILVMTYAEL-UHFFFAOYSA-N 0 1 393.347 3.317 20 0 GGADMN C[C@@H](Oc1cccc(Br)c1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000460718944 567700032 /nfs/dbraw/zinc/70/00/32/567700032.db2.gz TYTIWMAPLNNHBI-RBSFLKMASA-N 0 1 383.330 3.453 20 0 GGADMN C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)C1(F)F ZINC000460761361 567700663 /nfs/dbraw/zinc/70/06/63/567700663.db2.gz WXGIOFIJFMGCOJ-QMTHXVAHSA-N 0 1 388.256 3.041 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000553968665 567702513 /nfs/dbraw/zinc/70/25/13/567702513.db2.gz RBYRYXPNMWKXPL-GUYCJALGSA-N 0 1 395.341 3.157 20 0 GGADMN CCc1ncc(S(=O)(=O)Nc2cc(C[S@@](C)=O)ccc2Cl)s1 ZINC000460781499 567702543 /nfs/dbraw/zinc/70/25/43/567702543.db2.gz GJZVNNWVZBENPA-OAQYLSRUSA-N 0 1 378.928 3.038 20 0 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/nfs/dbraw/zinc/73/71/01/567737101.db2.gz ZZEHJHJSHITPSN-MRXNPFEDSA-N 0 1 383.311 3.468 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CCNC3=O)c1 ZINC000573812567 567737274 /nfs/dbraw/zinc/73/72/74/567737274.db2.gz NPRRIJUERWDMRZ-UHFFFAOYSA-N 0 1 378.881 3.379 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCc1cnc[nH]1 ZINC000461459202 567737815 /nfs/dbraw/zinc/73/78/15/567737815.db2.gz AFVDUJPPNOWXAY-UHFFFAOYSA-N 0 1 378.263 3.378 20 0 GGADMN CC[C@@H](CNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)OC ZINC000461462750 567738135 /nfs/dbraw/zinc/73/81/35/567738135.db2.gz ACIUSKRKOHUIHC-AWEZNQCLSA-N 0 1 382.507 3.012 20 0 GGADMN O=C(NCc1c(Cl)cccc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000554603642 567738539 /nfs/dbraw/zinc/73/85/39/567738539.db2.gz ZCZNQLAHWUJIPH-AWEZNQCLSA-N 0 1 386.323 3.247 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@@H](C)C1 ZINC000573836803 567738596 /nfs/dbraw/zinc/73/85/96/567738596.db2.gz LZKFLHZLQPLPFT-KBPBESRZSA-N 0 1 391.313 3.190 20 0 GGADMN Brc1ccc(-c2nccc(CN3CCC[C@@H](n4ccnn4)C3)n2)cc1 ZINC000573838821 567738640 /nfs/dbraw/zinc/73/86/40/567738640.db2.gz SABIHRRTOYBGBM-QGZVFWFLSA-N 0 1 399.296 3.335 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@@H](C)C1 ZINC000573836804 567738826 /nfs/dbraw/zinc/73/88/26/567738826.db2.gz LZKFLHZLQPLPFT-OKILXGFUSA-N 0 1 391.313 3.190 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000532845244 567738869 /nfs/dbraw/zinc/73/88/69/567738869.db2.gz OPAJNRQIAQULJE-UHFFFAOYSA-N 0 1 376.825 3.305 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000532848338 567738983 /nfs/dbraw/zinc/73/89/83/567738983.db2.gz GRCBCERLUWHNDB-UHFFFAOYSA-N 0 1 396.881 3.154 20 0 GGADMN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1nc[nH]n1 ZINC000461585591 567740791 /nfs/dbraw/zinc/74/07/91/567740791.db2.gz OOEKJARUWRKCOY-UHFFFAOYSA-N 0 1 380.235 3.058 20 0 GGADMN CO[C@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@@H](C)C1 ZINC000508296584 567740971 /nfs/dbraw/zinc/74/09/71/567740971.db2.gz 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ZINC000554702349 567743332 /nfs/dbraw/zinc/74/33/32/567743332.db2.gz ZCVROYSOYXCXON-KXBFYZLASA-N 0 1 378.925 3.422 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000667383856 567744065 /nfs/dbraw/zinc/74/40/65/567744065.db2.gz WITRIQIOZZRPMG-INIZCTEOSA-N 0 1 384.977 3.455 20 0 GGADMN C[C@H]1C[C@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)c2nccn21 ZINC000573898824 567744120 /nfs/dbraw/zinc/74/41/20/567744120.db2.gz BWASTRIRXRPDAH-CABZTGNLSA-N 0 1 389.257 3.027 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000667383857 567744356 /nfs/dbraw/zinc/74/43/56/567744356.db2.gz WITRIQIOZZRPMG-MRXNPFEDSA-N 0 1 384.977 3.455 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000573919191 567744612 /nfs/dbraw/zinc/74/46/12/567744612.db2.gz UKGJJRXKLXNYLZ-NSHDSACASA-N 0 1 386.290 3.024 20 0 GGADMN O=c1cc(CN2CCc3ccccc3CC2)nc2ccc(Br)cn12 ZINC000532980377 567745499 /nfs/dbraw/zinc/74/54/99/567745499.db2.gz NBIDWSQSOOZRMQ-UHFFFAOYSA-N 0 1 384.277 3.058 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000461744812 567746459 /nfs/dbraw/zinc/74/64/59/567746459.db2.gz CBFCZKACDMOQTF-RHSMWYFYSA-N 0 1 383.330 3.026 20 0 GGADMN O[C@H](CN[C@H]1CCCc2scnc21)COc1ccccc1Br ZINC000623920363 567746728 /nfs/dbraw/zinc/74/67/28/567746728.db2.gz KCBZRYHCINPTGF-YPMHNXCESA-N 0 1 383.311 3.313 20 0 GGADMN COc1cnc(NS(=O)(=O)c2cccc(Cl)c2F)c(Br)c1 ZINC000554735595 567746750 /nfs/dbraw/zinc/74/67/50/567746750.db2.gz ZPNNPLNZDPGIGZ-UHFFFAOYSA-N 0 1 395.637 3.446 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NCC3CCSCC3)c12 ZINC000573971264 567747631 /nfs/dbraw/zinc/74/76/31/567747631.db2.gz RPFMEGWPKDQDFX-UHFFFAOYSA-N 0 1 380.539 3.315 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C)C1 ZINC000554755978 567747752 /nfs/dbraw/zinc/74/77/52/567747752.db2.gz XDHQTPAWKGNAMG-OKILXGFUSA-N 0 1 391.313 3.190 20 0 GGADMN Brc1cnc2c(c1)nccc2N1CCC[C@@H](N2CCOCC2)CC1 ZINC000573981438 567748165 /nfs/dbraw/zinc/74/81/65/567748165.db2.gz 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ZINC000443403408 567754771 /nfs/dbraw/zinc/75/47/71/567754771.db2.gz AVPAZSSFZDEVNB-MRVPVSSYSA-N 0 1 380.271 3.125 20 0 GGADMN CCOc1cccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c1 ZINC000443406501 567755367 /nfs/dbraw/zinc/75/53/67/567755367.db2.gz MNSQSNXHTXHMTF-UHFFFAOYSA-N 0 1 378.841 3.120 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000554905009 567755291 /nfs/dbraw/zinc/75/52/91/567755291.db2.gz KUAGGLDVCSRXET-LLVKDONJSA-N 0 1 381.325 3.107 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000554905012 567755552 /nfs/dbraw/zinc/75/55/52/567755552.db2.gz KUAGGLDVCSRXET-NSHDSACASA-N 0 1 381.325 3.107 20 0 GGADMN COc1cc(Br)ccc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000647031000 567755740 /nfs/dbraw/zinc/75/57/40/567755740.db2.gz DUMNLXMKJXNRTP-XJKCOSOUSA-N 0 1 381.314 3.260 20 0 GGADMN COc1cc(Br)ccc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000647030997 567755870 /nfs/dbraw/zinc/75/58/70/567755870.db2.gz DUMNLXMKJXNRTP-DVOMOZLQSA-N 0 1 381.314 3.260 20 0 GGADMN Cc1ncc(S(=O)(=O)NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000533175427 567755957 /nfs/dbraw/zinc/75/59/57/567755957.db2.gz VZDCGTORPJZDKS-UHFFFAOYSA-N 0 1 399.969 3.295 20 0 GGADMN C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2cccc(Br)c2)o1 ZINC000574114222 567756080 /nfs/dbraw/zinc/75/60/80/567756080.db2.gz DTZDXHWIDIJRFT-XHDPSFHLSA-N 0 1 384.295 3.232 20 0 GGADMN C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H](C)C1 ZINC000647032741 567756206 /nfs/dbraw/zinc/75/62/06/567756206.db2.gz GZKARPJCGPSBOW-OZVIIMIRSA-N 0 1 391.313 3.128 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000443418043 567756244 /nfs/dbraw/zinc/75/62/44/567756244.db2.gz RIHUJKLHCRVNBW-UHFFFAOYSA-N 0 1 399.753 3.198 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cncc(Cl)c3)[nH]c2c1 ZINC000533175267 567756750 /nfs/dbraw/zinc/75/67/50/567756750.db2.gz MMZJVFTXTROGAR-MRXNPFEDSA-N 0 1 376.869 3.446 20 0 GGADMN CC[C@]1(CNCc2c(Br)c(C)nn2C)OCCc2ccccc21 ZINC000574123626 567757082 /nfs/dbraw/zinc/75/70/82/567757082.db2.gz VGYWKWULNUZNLS-GOSISDBHSA-N 0 1 378.314 3.459 20 0 GGADMN COC[C@](C)(CC(=O)OC)NCc1ccc(Br)cc1SC ZINC000554925684 567757260 /nfs/dbraw/zinc/75/72/60/567757260.db2.gz FFCAKCAMGIBCPE-HNNXBMFYSA-N 0 1 376.316 3.229 20 0 GGADMN NC(=O)c1csc(CNC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000533187841 567758146 /nfs/dbraw/zinc/75/81/46/567758146.db2.gz VIOZMGIOHMQWTB-UHFFFAOYSA-N 0 1 395.322 3.405 20 0 GGADMN C[C@@H](Nc1ncnc2[nH]cnc21)c1ccc(Br)cc1OCCCO ZINC000461990786 567758505 /nfs/dbraw/zinc/75/85/05/567758505.db2.gz CLYVCHVRSFJZNN-SNVBAGLBSA-N 0 1 392.257 3.050 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)cn1 ZINC000443457214 567758649 /nfs/dbraw/zinc/75/86/49/567758649.db2.gz YKRIFTKRSMCOSX-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1F ZINC000554946411 567758779 /nfs/dbraw/zinc/75/87/79/567758779.db2.gz SIGDKXGIOACTMA-NSHDSACASA-N 0 1 398.276 3.103 20 0 GGADMN O[C@H](CN=c1[nH]c(C(F)(F)F)cs1)COc1cccc(C(F)(F)F)c1 ZINC000533212414 567759304 /nfs/dbraw/zinc/75/93/04/567759304.db2.gz VADLQXWJMZBJSR-SECBINFHSA-N 0 1 386.317 3.454 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000533203160 567759379 /nfs/dbraw/zinc/75/93/79/567759379.db2.gz OBCLOUPIUZUPHD-JTQLQIEISA-N 0 1 378.778 3.484 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000533203021 567759388 /nfs/dbraw/zinc/75/93/88/567759388.db2.gz FHPGEHRKFITNHH-NSHDSACASA-N 0 1 387.249 3.104 20 0 GGADMN CC(C)n1cc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cn1 ZINC000574149864 567759425 /nfs/dbraw/zinc/75/94/25/567759425.db2.gz RUDZYONNNAFWFP-JTQLQIEISA-N 0 1 377.388 3.228 20 0 GGADMN CC(C)CC[C@@H](CO)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624111209 567760345 /nfs/dbraw/zinc/76/03/45/567760345.db2.gz PKBMOEDTSJEGBA-QWRGUYRKSA-N 0 1 383.341 3.089 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2ccc(-c3ccccc3)o2)s1 ZINC000533253222 567760335 /nfs/dbraw/zinc/76/03/35/567760335.db2.gz OOJKMTHINNMHJQ-UHFFFAOYSA-N 0 1 376.503 3.385 20 0 GGADMN CC(C)CC[C@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624111314 567760426 /nfs/dbraw/zinc/76/04/26/567760426.db2.gz SBBNABJUMFOUAK-UKRRQHHQSA-N 0 1 390.343 3.054 20 0 GGADMN CC(C)CC[C@@H](CO)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624111315 567760461 /nfs/dbraw/zinc/76/04/61/567760461.db2.gz SBBNABJUMFOUAK-ZFWWWQNUSA-N 0 1 390.343 3.054 20 0 GGADMN CN(CCNCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000533253592 567761131 /nfs/dbraw/zinc/76/11/31/567761131.db2.gz FEVRFADSDBTTLS-UHFFFAOYSA-N 0 1 379.334 3.465 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1sccc1Br ZINC000624136503 567761707 /nfs/dbraw/zinc/76/17/07/567761707.db2.gz LTHCAVHAPRIOJY-MVWJERBFSA-N 0 1 381.361 3.022 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F)C(C)C ZINC000647124736 567761858 /nfs/dbraw/zinc/76/18/58/567761858.db2.gz XNTSGFFSYAFZHI-GFCCVEGCSA-N 0 1 389.367 3.302 20 0 GGADMN Cc1cc(I)ccc1NC(=O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000533293944 567761905 /nfs/dbraw/zinc/76/19/05/567761905.db2.gz BBUQTXUUVHOEHY-BETUJISGSA-N 0 1 384.261 3.126 20 0 GGADMN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2nc[nH]c2c1 ZINC000508696475 567762305 /nfs/dbraw/zinc/76/23/05/567762305.db2.gz UPCPCEGLLDMCOD-UHFFFAOYSA-N 0 1 377.853 3.409 20 0 GGADMN COc1ccc(Br)c(CNCc2ccccc2Cn2cncn2)c1 ZINC000508749491 567764035 /nfs/dbraw/zinc/76/40/35/567764035.db2.gz VVXDXEDJPFRHJB-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN Fc1ccc(Br)c2nccc(N3CC[C@H](CN4CCOCC4)C3)c12 ZINC000443506973 567764069 /nfs/dbraw/zinc/76/40/69/567764069.db2.gz FAFJIZBTVQQLGI-CYBMUJFWSA-N 0 1 394.288 3.295 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc(Br)ccc2OC(F)F)[C@H]1OC ZINC000508720913 567764207 /nfs/dbraw/zinc/76/42/07/567764207.db2.gz SRGZRVAACGTQDZ-IACUBPJLSA-N 0 1 380.229 3.333 20 0 GGADMN Cc1ccc(-n2cnnc2SCc2nc([C@H]3CCCN3)no2)cc1Cl ZINC000647148166 567764555 /nfs/dbraw/zinc/76/45/55/567764555.db2.gz ILEKLCARMZRADQ-CYBMUJFWSA-N 0 1 376.873 3.329 20 0 GGADMN Cn1cnc(C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)n1 ZINC000555056350 567765036 /nfs/dbraw/zinc/76/50/36/567765036.db2.gz CUBYRGHZNZYQIN-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN Brc1cc(/C=C/c2nc([C@@H]3CCCN3)no2)cc2c1OCCO2 ZINC000647149404 567764967 /nfs/dbraw/zinc/76/49/67/567764967.db2.gz LHULKBDLWOCOGB-PCAWENJQSA-N 0 1 378.226 3.198 20 0 GGADMN CC(C)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)CC1 ZINC000508761774 567765729 /nfs/dbraw/zinc/76/57/29/567765729.db2.gz IGGVCBUXUSNHOC-UHFFFAOYSA-N 0 1 384.311 3.231 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccsc1 ZINC000462077362 567767155 /nfs/dbraw/zinc/76/71/55/567767155.db2.gz UHFVQRVANYPQHM-JTQLQIEISA-N 0 1 385.410 3.021 20 0 GGADMN CC(C)(C)C(=O)NCCNCc1cc(OC(F)F)ccc1Br ZINC000647180069 567767279 /nfs/dbraw/zinc/76/72/79/567767279.db2.gz CALNWXWWTOHMRJ-UHFFFAOYSA-N 0 1 379.245 3.302 20 0 GGADMN Cc1nc2n(n1)C[C@H](NCc1cc(OC(F)F)ccc1Br)CC2 ZINC000647178474 567767417 /nfs/dbraw/zinc/76/74/17/567767417.db2.gz UYWVZEZFRLNVIQ-LLVKDONJSA-N 0 1 387.228 3.055 20 0 GGADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000598428165 567767448 /nfs/dbraw/zinc/76/74/48/567767448.db2.gz LKDLEKZTFDURJE-BMIGLBTASA-N 0 1 384.263 3.268 20 0 GGADMN FC(F)Oc1ccc(Br)c(CNCCOC[C@H]2CCCO2)c1 ZINC000647184059 567767794 /nfs/dbraw/zinc/76/77/94/567767794.db2.gz ZZVCGCUBCLVDKX-CYBMUJFWSA-N 0 1 380.229 3.336 20 0 GGADMN FC(F)Oc1ccc(Br)c(CNCCOC[C@@H]2CCOC2)c1 ZINC000647181791 567768146 /nfs/dbraw/zinc/76/81/46/567768146.db2.gz RQTBXXQFYOXAJJ-LLVKDONJSA-N 0 1 380.229 3.193 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ncc(Br)cc1F ZINC000624196188 567768415 /nfs/dbraw/zinc/76/84/15/567768415.db2.gz YIVJOEMREQGNGZ-FMGDLQRFSA-N 0 1 382.233 3.265 20 0 GGADMN C[C@]1(C2CCN([C@H]3CCc4c3cc(Cl)cc4Cl)CC2)NC(=O)NC1=O ZINC000443613750 567768580 /nfs/dbraw/zinc/76/85/80/567768580.db2.gz DOZDDNLSGGNPDV-MAUKXSAKSA-N 0 1 382.291 3.291 20 0 GGADMN C[C@@]1(C2CCN([C@@H]3CCc4c3cc(Cl)cc4Cl)CC2)NC(=O)NC1=O ZINC000443613752 567768594 /nfs/dbraw/zinc/76/85/94/567768594.db2.gz DOZDDNLSGGNPDV-QAPCUYQASA-N 0 1 382.291 3.291 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)c(Br)c1 ZINC000574288124 567769336 /nfs/dbraw/zinc/76/93/36/567769336.db2.gz KRXVPRXDIJSDOY-HNNXBMFYSA-N 0 1 396.329 3.476 20 0 GGADMN C[C@@H](CO[C@H]1CCOC1)NCc1cc(OC(F)F)ccc1Br ZINC000647190885 567769474 /nfs/dbraw/zinc/76/94/74/567769474.db2.gz SXYZMQLKPHLKBB-GWCFXTLKSA-N 0 1 380.229 3.334 20 0 GGADMN C[C@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533437998 567770010 /nfs/dbraw/zinc/77/00/10/567770010.db2.gz WOWDZBJRWLISLS-ZDUSSCGKSA-N 0 1 384.277 3.404 20 0 GGADMN COC[C@H](NCc1cc(OC(F)F)ccc1Br)[C@@H]1CCCO1 ZINC000647207289 567771054 /nfs/dbraw/zinc/77/10/54/567771054.db2.gz IEXDZKKDJAMXOE-KBPBESRZSA-N 0 1 380.229 3.334 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3cc(Br)ccc3C)cc12 ZINC000462101446 567772415 /nfs/dbraw/zinc/77/24/15/567772415.db2.gz XYWRCUWNEJAKHG-UHFFFAOYSA-N 0 1 382.239 3.403 20 0 GGADMN CO[C@@H](C)CCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000555189067 567772951 /nfs/dbraw/zinc/77/29/51/567772951.db2.gz JDLKAVNXOKIAEI-ZDUSSCGKSA-N 0 1 382.507 3.012 20 0 GGADMN CC[C@H](C)C[C@H](CO)NCc1ncc(Br)cc1Br ZINC000647245232 567774132 /nfs/dbraw/zinc/77/41/32/567774132.db2.gz UGYDBWLHVSULLT-GXSJLCMTSA-N 0 1 380.124 3.493 20 0 GGADMN CC[C@@H](C)C[C@@H](CO)NCc1c(Br)cncc1Br ZINC000647244891 567774354 /nfs/dbraw/zinc/77/43/54/567774354.db2.gz KMMDYUQTJUMHCU-ZJUUUORDSA-N 0 1 380.124 3.493 20 0 GGADMN C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000462110630 567774669 /nfs/dbraw/zinc/77/46/69/567774669.db2.gz GIZHLSPQQHDSIF-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Br)c(Cl)c1 ZINC000443762363 567774982 /nfs/dbraw/zinc/77/49/82/567774982.db2.gz WCNQRFAFNOJCBR-GFCCVEGCSA-N 0 1 390.690 3.182 20 0 GGADMN CC1(C)SC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000555232687 567775186 /nfs/dbraw/zinc/77/51/86/567775186.db2.gz KUIZOTSDBFTYJD-AAEUAGOBSA-N 0 1 376.341 3.151 20 0 GGADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000574378406 567775849 /nfs/dbraw/zinc/77/58/49/567775849.db2.gz RDBDIGBCTVYXJJ-SNVBAGLBSA-N 0 1 390.285 3.101 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2C)C[C@@H]1C ZINC000574389005 567775939 /nfs/dbraw/zinc/77/59/39/567775939.db2.gz VGQKJCHZTXOUBW-QWHCGFSZSA-N 0 1 378.318 3.164 20 0 GGADMN CC1(C)SC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000555232690 567776155 /nfs/dbraw/zinc/77/61/55/567776155.db2.gz KUIZOTSDBFTYJD-YPMHNXCESA-N 0 1 376.341 3.151 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(Br)c(C2CC2)n1)C(C)C ZINC000647276813 567778146 /nfs/dbraw/zinc/77/81/46/567778146.db2.gz LICXPMBBGQQPEW-GFCCVEGCSA-N 0 1 377.304 3.134 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)c1cccs1 ZINC000555296021 567778225 /nfs/dbraw/zinc/77/82/25/567778225.db2.gz HJCHNHQZVUBUHV-CYBMUJFWSA-N 0 1 375.418 3.019 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(C(F)F)cc1)c1cccs1 ZINC000555296022 567778229 /nfs/dbraw/zinc/77/82/29/567778229.db2.gz HJCHNHQZVUBUHV-ZDUSSCGKSA-N 0 1 375.418 3.019 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632863 567778671 /nfs/dbraw/zinc/77/86/71/567778671.db2.gz IRTTVHPHHALLLU-PBHICJAKSA-N 0 1 379.913 3.066 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000533625255 567778738 /nfs/dbraw/zinc/77/87/38/567778738.db2.gz KPDAKGKCQSYWBL-UHFFFAOYSA-N 0 1 381.763 3.059 20 0 GGADMN CCOC(=O)C1CCC(O)(CN[C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000574453109 567778976 /nfs/dbraw/zinc/77/89/76/567778976.db2.gz IJNBFODFFLHTOE-HBSPSFQMSA-N 0 1 390.307 3.101 20 0 GGADMN OC[C@@H](CNCc1cn(-c2cccc(Cl)c2Cl)nn1)Cc1ccco1 ZINC000533637089 567779628 /nfs/dbraw/zinc/77/96/28/567779628.db2.gz AZYNMSPICGLHOU-GFCCVEGCSA-N 0 1 381.263 3.108 20 0 GGADMN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000647338057 567779767 /nfs/dbraw/zinc/77/97/67/567779767.db2.gz ZYNSLMCECXGATP-AXFHLTTASA-N 0 1 383.341 3.089 20 0 GGADMN Cc1nc(CC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)n[nH]1 ZINC000667882718 567779930 /nfs/dbraw/zinc/77/99/30/567779930.db2.gz CAHXYPMPGLFLFN-UHFFFAOYSA-N 0 1 391.313 3.480 20 0 GGADMN CC(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)C)CC1 ZINC000555352110 567780398 /nfs/dbraw/zinc/78/03/98/567780398.db2.gz FIOJAFXXHRFBQZ-UHFFFAOYSA-N 0 1 395.349 3.222 20 0 GGADMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(F)ccc1OCCOC)C(F)(F)F ZINC000443940990 567781228 /nfs/dbraw/zinc/78/12/28/567781228.db2.gz JWCFNIYXZOYHKM-YGRLFVJLSA-N 0 1 387.395 3.106 20 0 GGADMN CC[C@H](CNS(=O)(=O)CCc1cccs1)N1CCc2ccccc2C1 ZINC000443948180 567781364 /nfs/dbraw/zinc/78/13/64/567781364.db2.gz QCZPVTDLUOGSKE-GOSISDBHSA-N 0 1 378.563 3.047 20 0 GGADMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(F)(F)F ZINC000443945071 567781369 /nfs/dbraw/zinc/78/13/69/567781369.db2.gz OTCQDYWQVKLIKE-PELKAZGASA-N 0 1 387.807 3.382 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)c(C)s1 ZINC000598667644 567781898 /nfs/dbraw/zinc/78/18/98/567781898.db2.gz WWQGVMQTVXJEHF-MRXNPFEDSA-N 0 1 397.294 3.418 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367241 567782250 /nfs/dbraw/zinc/78/22/50/567782250.db2.gz CKERGNMJSGURIU-DTWKUNHWSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367241 567782257 /nfs/dbraw/zinc/78/22/57/567782257.db2.gz CKERGNMJSGURIU-DTWKUNHWSA-N 0 1 386.271 3.246 20 0 GGADMN Cc1ccc(Cc2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)s1 ZINC000574508480 567782433 /nfs/dbraw/zinc/78/24/33/567782433.db2.gz WACGBCRDRMVKQM-UHFFFAOYSA-N 0 1 389.911 3.224 20 0 GGADMN Cc1ccc([C@@H](CNCc2cnc(C(F)(F)F)s2)N2CCOCC2)o1 ZINC000443960142 567782547 /nfs/dbraw/zinc/78/25/47/567782547.db2.gz NOPOLFHFPOICFF-CYBMUJFWSA-N 0 1 375.416 3.226 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc(=O)c(OC)co2)n1 ZINC000443985774 567784571 /nfs/dbraw/zinc/78/45/71/567784571.db2.gz HAJZAEHLCFYXGY-UHFFFAOYSA-N 0 1 379.825 3.388 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000574563180 567785410 /nfs/dbraw/zinc/78/54/10/567785410.db2.gz QJUIZQRJONXRRS-SFHVURJKSA-N 0 1 375.266 3.333 20 0 GGADMN O[C@H](CNCc1ccc2c(n1)CCCC2)COc1ccc(Br)cc1 ZINC000574567211 567785458 /nfs/dbraw/zinc/78/54/58/567785458.db2.gz XWTSLQVGXAREMT-QGZVFWFLSA-N 0 1 391.309 3.252 20 0 GGADMN O=C(NC1CC1)N[C@H]1CCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC000667989189 567786536 /nfs/dbraw/zinc/78/65/36/567786536.db2.gz DWWFLABHIZHMET-AWEZNQCLSA-N 0 1 378.270 3.231 20 0 GGADMN CC(C)(C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccc(Br)cc1 ZINC000555525240 567786733 /nfs/dbraw/zinc/78/67/33/567786733.db2.gz QPQMUPASNCPABD-UHFFFAOYSA-N 0 1 394.269 3.222 20 0 GGADMN CCc1cccnc1NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000444049628 567786830 /nfs/dbraw/zinc/78/68/30/567786830.db2.gz GHTKDILLLDKNTH-UHFFFAOYSA-N 0 1 398.282 3.166 20 0 GGADMN CSc1ccccc1S(=O)(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000444055694 567787070 /nfs/dbraw/zinc/78/70/70/567787070.db2.gz IDQQZPNAJQKOHJ-UHFFFAOYSA-N 0 1 382.526 3.300 20 0 GGADMN O=C([O-])c1cnc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000647454364 567787124 /nfs/dbraw/zinc/78/71/24/567787124.db2.gz MQQQCSIYEKDYTK-OAHLLOKOSA-N 0 1 377.897 3.463 20 0 GGADMN O=C([O-])c1cnc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000647454364 567787131 /nfs/dbraw/zinc/78/71/31/567787131.db2.gz MQQQCSIYEKDYTK-OAHLLOKOSA-N 0 1 377.897 3.463 20 0 GGADMN Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000444039431 567787213 /nfs/dbraw/zinc/78/72/13/567787213.db2.gz SWZFIXAMZRRGPB-UHFFFAOYSA-N 0 1 380.510 3.484 20 0 GGADMN O=C([O-])c1cnc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000647454363 567787366 /nfs/dbraw/zinc/78/73/66/567787366.db2.gz MQQQCSIYEKDYTK-HNNXBMFYSA-N 0 1 377.897 3.463 20 0 GGADMN O=C([O-])c1cnc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000647454363 567787370 /nfs/dbraw/zinc/78/73/70/567787370.db2.gz MQQQCSIYEKDYTK-HNNXBMFYSA-N 0 1 377.897 3.463 20 0 GGADMN COC(C)(C)C[C@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533801843 567787405 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O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(C(=O)NC2CC2)cc1 ZINC000533855426 567790604 /nfs/dbraw/zinc/79/06/04/567790604.db2.gz STFOKHONVHKSFP-UHFFFAOYSA-N 0 1 399.248 3.470 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444076938 567791471 /nfs/dbraw/zinc/79/14/71/567791471.db2.gz ZKAVWPLURFFSJS-UHFFFAOYSA-N 0 1 382.423 3.339 20 0 GGADMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1c(Br)cncc1Br ZINC000574682413 567791641 /nfs/dbraw/zinc/79/16/41/567791641.db2.gz ODGHVLUDMBPESD-OTYXRUKQSA-N 0 1 389.135 3.179 20 0 GGADMN CN(Cc1ccc(Br)c(Br)c1)C[C@@H]1COCCO1 ZINC000668545307 567813035 /nfs/dbraw/zinc/81/30/35/567813035.db2.gz PZRQXVIMCCOVFA-LLVKDONJSA-N 0 1 379.092 3.059 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1Cl ZINC000574718250 567793228 /nfs/dbraw/zinc/79/32/28/567793228.db2.gz MNUUGDTXGADYCJ-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN CSc1cc(Br)ccc1CN1C[C@H](N2CCOCC2)C[C@H]1C ZINC000574724996 567793759 /nfs/dbraw/zinc/79/37/59/567793759.db2.gz BIWXXIAOEHTZBQ-CZUORRHYSA-N 0 1 385.371 3.466 20 0 GGADMN Brc1ccc2onc(NC[C@@H]3CCCO[C@H]3c3cn[nH]c3)c2c1 ZINC000624686744 567794982 /nfs/dbraw/zinc/79/49/82/567794982.db2.gz PNERGZBCUPNFCA-ZUZCIYMTSA-N 0 1 377.242 3.315 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000647666787 567795808 /nfs/dbraw/zinc/79/58/08/567795808.db2.gz ZHLKRIJZXIQMCM-ZDUSSCGKSA-N 0 1 387.307 3.329 20 0 GGADMN O=C(CCc1cccc(Br)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000647666532 567795849 /nfs/dbraw/zinc/79/58/49/567795849.db2.gz QMJBOCJUXLEYOP-SFHVURJKSA-N 0 1 395.341 3.095 20 0 GGADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCCF ZINC000574780115 567797083 /nfs/dbraw/zinc/79/70/83/567797083.db2.gz LPSATAGODYEODD-UHFFFAOYSA-N 0 1 384.439 3.149 20 0 GGADMN O=C(CCCc1nccs1)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000647686961 567797263 /nfs/dbraw/zinc/79/72/63/567797263.db2.gz CEWKPBQCTDGAIP-UHFFFAOYSA-N 0 1 375.885 3.263 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n[nH]1 ZINC000444213672 567797455 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Cn1cc(-c2n[nH]cc2C(=O)Nc2cc(Br)cc(Cl)c2O)cn1 ZINC000444285558 567800275 /nfs/dbraw/zinc/80/02/75/567800275.db2.gz GZVDXGUVBQAXJS-UHFFFAOYSA-N 0 1 396.632 3.184 20 0 GGADMN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000444284059 567800400 /nfs/dbraw/zinc/80/04/00/567800400.db2.gz DUNZGVGLVGIHAJ-JTQLQIEISA-N 0 1 378.263 3.478 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000647762829 567800721 /nfs/dbraw/zinc/80/07/21/567800721.db2.gz VYEOPWOAUJETLU-CYBMUJFWSA-N 0 1 381.314 3.083 20 0 GGADMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccncc1Br ZINC000647771251 567801000 /nfs/dbraw/zinc/80/10/00/567801000.db2.gz SSICANSGNJFXHL-UHFFFAOYSA-N 0 1 395.220 3.430 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000647765909 567801196 /nfs/dbraw/zinc/80/11/96/567801196.db2.gz ZHIBYJIAJIDQDI-GFCCVEGCSA-N 0 1 387.307 3.327 20 0 GGADMN O=C(COc1ccc(F)cc1Br)Nc1n[nH]c2cc(O)ccc21 ZINC000647797449 567802129 /nfs/dbraw/zinc/80/21/29/567802129.db2.gz NTZQBYIDWPRNOK-UHFFFAOYSA-N 0 1 380.173 3.188 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(CN[C@@H](CO)c2ccc(Br)cc2)c1C ZINC000598974019 567802226 /nfs/dbraw/zinc/80/22/26/567802226.db2.gz OBCYNWBCRUPDSA-INIZCTEOSA-N 0 1 395.297 3.394 20 0 GGADMN COc1cccc(N2C[C@@H](N[C@H](C)c3ccc(Br)cn3)CC2=O)c1 ZINC000574885927 567802342 /nfs/dbraw/zinc/80/23/42/567802342.db2.gz ALSQHMNRRYZFBL-OCCSQVGLSA-N 0 1 390.281 3.309 20 0 GGADMN COc1cccc(N2C[C@H](N[C@@H](C)c3ccc(Br)cn3)CC2=O)c1 ZINC000574885925 567802446 /nfs/dbraw/zinc/80/24/46/567802446.db2.gz ALSQHMNRRYZFBL-GXTWGEPZSA-N 0 1 390.281 3.309 20 0 GGADMN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000574916206 567804261 /nfs/dbraw/zinc/80/42/61/567804261.db2.gz FUJGEQOOKRYTGH-ZETCQYMHSA-N 0 1 390.130 3.162 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)cc1F ZINC000534237650 567804179 /nfs/dbraw/zinc/80/41/79/567804179.db2.gz SMHUKAOAGKHJKV-UHFFFAOYSA-N 0 1 388.867 3.299 20 0 GGADMN O=C([O-])C[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000574928325 567804649 /nfs/dbraw/zinc/80/46/49/567804649.db2.gz RFZWPADFFUSCKY-UHFFFAOYSA-N 0 1 380.293 3.096 20 0 GGADMN Cc1cc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1Br ZINC000534244613 567804684 /nfs/dbraw/zinc/80/46/84/567804684.db2.gz IXROFETVSXRNNM-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000534242946 567805056 /nfs/dbraw/zinc/80/50/56/567805056.db2.gz MJAAAHUGUSJJCM-SSDOTTSWSA-N 0 1 382.795 3.079 20 0 GGADMN COc1ccc(Br)c(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000534257047 567805194 /nfs/dbraw/zinc/80/51/94/567805194.db2.gz BMILOQYADFDYJZ-SNVBAGLBSA-N 0 1 396.289 3.260 20 0 GGADMN Cc1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1S(C)(=O)=O ZINC000444438403 567805429 /nfs/dbraw/zinc/80/54/29/567805429.db2.gz HQTHNOHFWFILEV-UHFFFAOYSA-N 0 1 388.272 3.341 20 0 GGADMN CSC1(CN2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000574943957 567805885 /nfs/dbraw/zinc/80/58/85/567805885.db2.gz WDNWLWZQDYYTPE-UHFFFAOYSA-N 0 1 389.348 3.412 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)Nc1nc2ccccc2s1)[C@H](O)C(F)(F)F ZINC000647931493 567807195 /nfs/dbraw/zinc/80/71/95/567807195.db2.gz ADVKBTOYMDGKNX-XDTLVQLUSA-N 0 1 375.416 3.161 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2n[nH]cc2Br)c1 ZINC000647906639 567807250 /nfs/dbraw/zinc/80/72/50/567807250.db2.gz LZVFMWJNNWKBPZ-UHFFFAOYSA-N 0 1 395.076 3.044 20 0 GGADMN O[C@H](CN[C@@H]1COc2cc(F)c(Br)cc21)COCc1ccccc1 ZINC000574983341 567807327 /nfs/dbraw/zinc/80/73/27/567807327.db2.gz DVRDZFYHIXAOOI-CXAGYDPISA-N 0 1 396.256 3.189 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444546128 567807514 /nfs/dbraw/zinc/80/75/14/567807514.db2.gz HMRAFTFZIXOWRL-KBPBESRZSA-N 0 1 387.351 3.476 20 0 GGADMN CS[C@H](C)CC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000534309629 567807688 /nfs/dbraw/zinc/80/76/88/567807688.db2.gz RVESZSLGPZLEHZ-GFCCVEGCSA-N 0 1 386.359 3.281 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Cl)cc2Br)CCN1CC(C)(C)O ZINC000444549431 567808248 /nfs/dbraw/zinc/80/82/48/567808248.db2.gz LHFOHHYLNYWELD-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN CC(C)[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H](O)C(F)(F)F ZINC000647931624 567808084 /nfs/dbraw/zinc/80/80/84/567808084.db2.gz WZNSBXCVOWEFGH-IHRRRGAJSA-N 0 1 382.785 3.122 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444571180 567808274 /nfs/dbraw/zinc/80/82/74/567808274.db2.gz MELAVCPCXJCFQU-OLZOCXBDSA-N 0 1 389.323 3.064 20 0 GGADMN Cn1ncc(Cl)c1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000668397152 567809148 /nfs/dbraw/zinc/80/91/48/567809148.db2.gz WBKZCSKLHDLQQG-UHFFFAOYSA-N 0 1 381.307 3.369 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCN(C2CCC2)CC1 ZINC000534380947 567809345 /nfs/dbraw/zinc/80/93/45/567809345.db2.gz ODLDWTZWTDMAHY-ZDUSSCGKSA-N 0 1 398.320 3.399 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCN(C2CCC2)CC1 ZINC000534380946 567809386 /nfs/dbraw/zinc/80/93/86/567809386.db2.gz ODLDWTZWTDMAHY-CYBMUJFWSA-N 0 1 398.320 3.399 20 0 GGADMN C[C@]1(CO)CCC[C@H]1NCc1c(Br)cncc1Br ZINC000575034948 567809512 /nfs/dbraw/zinc/80/95/12/567809512.db2.gz JGWKBJPYRZXARX-CHWSQXEVSA-N 0 1 378.108 3.247 20 0 GGADMN CC1(C)CCCN(CCNC(=O)CSCC(=O)c2ccc(Cl)cc2)C1 ZINC000444624132 567809807 /nfs/dbraw/zinc/80/98/07/567809807.db2.gz WHAKLLLIXRJSKS-UHFFFAOYSA-N 0 1 382.957 3.494 20 0 GGADMN Cc1nc(-c2cc3c(s2)CCN(Cc2nc(C(C)(C)N)no2)C3)cs1 ZINC000647990821 567810061 /nfs/dbraw/zinc/81/00/61/567810061.db2.gz KOPWIGINMTUTIC-UHFFFAOYSA-N 0 1 375.523 3.315 20 0 GGADMN O=S(=O)([C@@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1)N1CCCC1 ZINC000444654793 567810666 /nfs/dbraw/zinc/81/06/66/567810666.db2.gz ZXYSRDWNDRCCTM-GOSISDBHSA-N 0 1 376.547 3.415 20 0 GGADMN Brc1csc2cnc(N3CCC(CN4CCOCC4)CC3)nc12 ZINC000575071953 567811183 /nfs/dbraw/zinc/81/11/83/567811183.db2.gz MOXBZBKDSHELFC-UHFFFAOYSA-N 0 1 397.342 3.002 20 0 GGADMN OC(=Cc1cc(Br)ccc1F)Nc1nc(-c2cccnc2)ns1 ZINC000534438437 567811643 /nfs/dbraw/zinc/81/16/43/567811643.db2.gz LSPIDRDFQHTFPT-UHFFFAOYSA-N 0 1 393.241 3.105 20 0 GGADMN O=C(Nc1nc(-c2ccsc2)ns1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000668502912 567812569 /nfs/dbraw/zinc/81/25/69/567812569.db2.gz GKLDHJISJDKVRR-VHSXEESVSA-N 0 1 393.412 3.189 20 0 GGADMN C[C@H]1CC2(CN1Cc1cn(-c3ccccc3Br)nn1)CCOCC2 ZINC000648071264 567812736 /nfs/dbraw/zinc/81/27/36/567812736.db2.gz WSBBVYSNOAOPGB-AWEZNQCLSA-N 0 1 391.313 3.421 20 0 GGADMN FC(F)(F)CN1CC[C@@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000534464062 567812871 /nfs/dbraw/zinc/81/28/71/567812871.db2.gz ALJUFYRQMISCIM-LLVKDONJSA-N 0 1 394.228 3.300 20 0 GGADMN Brc1ccc(N2CCN(Cc3ccccc3-n3cncn3)CC2)cc1 ZINC000668538124 567813007 /nfs/dbraw/zinc/81/30/07/567813007.db2.gz UPNPZAHZUUQAJN-UHFFFAOYSA-N 0 1 398.308 3.352 20 0 GGADMN C[C@](N)(C(=O)NC[C@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000648082672 567813196 /nfs/dbraw/zinc/81/31/96/567813196.db2.gz ZDUURMDRSGEKJO-IEBWSBKVSA-N 0 1 389.293 3.053 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3cc(OC(F)F)ccc3Br)CC[C@@H]2N1 ZINC000668544028 567813331 /nfs/dbraw/zinc/81/33/31/567813331.db2.gz HILQUGCWOATMNU-YGRLFVJLSA-N 0 1 389.240 3.151 20 0 GGADMN N[C@@H](C(=O)N1CCC(n2cc(Br)cn2)CC1)c1cccc(Cl)c1 ZINC000648080338 567813469 /nfs/dbraw/zinc/81/34/69/567813469.db2.gz YXQYJFBAEPGOFV-OAHLLOKOSA-N 0 1 397.704 3.163 20 0 GGADMN CCc1c(NC(=O)[C@@H](COC)OC)[nH]nc1-c1ccc(Br)cc1 ZINC000668607885 567814832 /nfs/dbraw/zinc/81/48/32/567814832.db2.gz GBUTZZJYOIAJCQ-CYBMUJFWSA-N 0 1 382.258 3.002 20 0 GGADMN CN(CC(=O)N(Cc1cccc(Br)c1)C1CC1)[C@H]1CCSC1 ZINC000534588064 567815079 /nfs/dbraw/zinc/81/50/79/567815079.db2.gz PTNFWQYFMFYMBG-INIZCTEOSA-N 0 1 383.355 3.377 20 0 GGADMN CC(=O)N1CC[C@@H](NC(=O)c2cccc(Br)c2O)c2ccccc21 ZINC000534594316 567815092 /nfs/dbraw/zinc/81/50/92/567815092.db2.gz FEORFERDNNITEV-OAHLLOKOSA-N 0 1 389.249 3.382 20 0 GGADMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)CN(C)[C@H]1CCSC1 ZINC000534586015 567815110 /nfs/dbraw/zinc/81/51/10/567815110.db2.gz BNGOEWITXSSSHJ-BBRMVZONSA-N 0 1 385.371 3.324 20 0 GGADMN C[C@H]1CC2(CN1C(=O)[C@@](C)(N)c1ccc(Br)cc1)CCOCC2 ZINC000648204547 567815370 /nfs/dbraw/zinc/81/53/70/567815370.db2.gz AFPFVJYBKMQKQL-GUYCJALGSA-N 0 1 381.314 3.041 20 0 GGADMN O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(C(F)(F)F)cn1 ZINC000534621005 567815484 /nfs/dbraw/zinc/81/54/84/567815484.db2.gz DACNORTWYIUKBR-UHFFFAOYSA-N 0 1 380.731 3.283 20 0 GGADMN C[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCC1)n1cc(Br)cn1 ZINC000648219748 567815641 /nfs/dbraw/zinc/81/56/41/567815641.db2.gz SGWFEWARPBYLNQ-UKRRQHHQSA-N 0 1 395.301 3.143 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000534693858 567816007 /nfs/dbraw/zinc/81/60/07/567816007.db2.gz YIHVWOKQAQQIPQ-UHFFFAOYSA-N 0 1 375.324 3.015 20 0 GGADMN O=C(CN1CCC[C@H]1Cc1ccc(F)cc1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000247767254 570240683 /nfs/dbraw/zinc/24/06/83/570240683.db2.gz LOPOIQQNDVENTK-OFNKIYASSA-N 0 1 395.522 3.475 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1Cl ZINC000048369174 570248360 /nfs/dbraw/zinc/24/83/60/570248360.db2.gz UROGESCNJKOKHQ-SFHVURJKSA-N 0 1 398.898 3.129 20 0 GGADMN Fc1ccc(N2CCN(c3cc(CNCc4cccnc4)ccn3)CC2)cc1 ZINC000048744999 570254180 /nfs/dbraw/zinc/25/41/80/570254180.db2.gz PJTNZTQAVJCNJS-UHFFFAOYSA-N 0 1 377.467 3.232 20 0 GGADMN Oc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000021275399 570289603 /nfs/dbraw/zinc/28/96/03/570289603.db2.gz CSURCNIPRBSIAA-JOCHJYFZSA-N 0 1 378.472 3.107 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)CC1 ZINC000021345970 570290732 /nfs/dbraw/zinc/29/07/32/570290732.db2.gz MYDOLWVVSOJXLY-ZDUSSCGKSA-N 0 1 375.494 3.154 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012912000 570291076 /nfs/dbraw/zinc/29/10/76/570291076.db2.gz NNIUFUPNROFTST-SFHVURJKSA-N 0 1 397.906 3.471 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012931477 570301248 /nfs/dbraw/zinc/30/12/48/570301248.db2.gz FHMGBHCNDGKOPS-ZWKOTPCHSA-N 0 1 395.503 3.223 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc(F)c1 ZINC000022683083 570324637 /nfs/dbraw/zinc/32/46/37/570324637.db2.gz GTFJWEKYCMFMMM-NHCUHLMSSA-N 0 1 386.467 3.416 20 0 GGADMN CCn1nc(C)c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000237035115 570324733 /nfs/dbraw/zinc/32/47/33/570324733.db2.gz KVKDFMWPHKCTIO-HZPDHXFCSA-N 0 1 384.524 3.059 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000022836088 570330517 /nfs/dbraw/zinc/33/05/17/570330517.db2.gz GQFNJORUAMFYOW-JOCHJYFZSA-N 0 1 379.504 3.236 20 0 GGADMN COc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000237461657 570368000 /nfs/dbraw/zinc/36/80/00/570368000.db2.gz UTEVOXNNCXXQDS-HZPDHXFCSA-N 0 1 386.467 3.374 20 0 GGADMN CS(=O)(=O)c1cccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 ZINC000023684188 570369204 /nfs/dbraw/zinc/36/92/04/570369204.db2.gz XGQWPAZVLAGWGF-UHFFFAOYSA-N 0 1 378.538 3.009 20 0 GGADMN O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)NCc1cccc(Cl)c1 ZINC000024838693 570395569 /nfs/dbraw/zinc/39/55/69/570395569.db2.gz XDFUQOBALZBQCM-KRWDZBQOSA-N 0 1 385.895 3.307 20 0 GGADMN Cc1cc(=O)n2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)sc2n1 ZINC000025139164 570406469 /nfs/dbraw/zinc/40/64/69/570406469.db2.gz TUPJEVUXESXXCS-CYBMUJFWSA-N 0 1 397.529 3.449 20 0 GGADMN O=C(CN1CCC[C@H]1Cc1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000025359860 570412257 /nfs/dbraw/zinc/41/22/57/570412257.db2.gz CQCOWUIEMUNHOK-FQEVSTJZSA-N 0 1 377.488 3.459 20 0 GGADMN O=C([O-])C1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000238014010 570419538 /nfs/dbraw/zinc/41/95/38/570419538.db2.gz LVCMRSWTQYEAKI-RJYAGPCLSA-N 0 1 398.425 3.201 20 0 GGADMN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1 ZINC000025812494 570420244 /nfs/dbraw/zinc/42/02/44/570420244.db2.gz LYURGVVNMITORQ-INIZCTEOSA-N 0 1 381.542 3.114 20 0 GGADMN O=C(CCN1CCN(c2cnccn2)CC1)Nc1ccccc1-c1ccccc1 ZINC000026171008 570423036 /nfs/dbraw/zinc/42/30/36/570423036.db2.gz ZNOBRARHMKEAHE-UHFFFAOYSA-N 0 1 387.487 3.294 20 0 GGADMN CC[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000026844163 570429312 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COc1ccccc1CN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)C1CC1 ZINC000065088228 570689902 /nfs/dbraw/zinc/68/99/02/570689902.db2.gz OQZCTPJHUHIVCK-UHFFFAOYSA-N 0 1 393.531 3.247 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C)n2)cc1 ZINC000012790769 570714420 /nfs/dbraw/zinc/71/44/20/570714420.db2.gz SVYNWCSDFNYVJB-UHFFFAOYSA-N 0 1 397.456 3.452 20 0 GGADMN Cc1nn2cccnc2c1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000120354827 570726547 /nfs/dbraw/zinc/72/65/47/570726547.db2.gz AQCMNLPHTCHQFM-UHFFFAOYSA-N 0 1 383.883 3.086 20 0 GGADMN CCCc1cnc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000189308835 570749784 /nfs/dbraw/zinc/74/97/84/570749784.db2.gz IJGCWBXISLRYFC-HXUWFJFHSA-N 0 1 388.537 3.196 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000249083716 570762809 /nfs/dbraw/zinc/76/28/09/570762809.db2.gz DSEIBGKBAISBPI-DLBZAZTESA-N 0 1 398.425 3.206 20 0 GGADMN O=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)Nc1ccccc1F ZINC000032777315 570799524 /nfs/dbraw/zinc/79/95/24/570799524.db2.gz DIZAKAJNHXMXCY-UHFFFAOYSA-N 0 1 387.430 3.142 20 0 GGADMN O=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)Nc1cccc(F)c1 ZINC000032777313 570799587 /nfs/dbraw/zinc/79/95/87/570799587.db2.gz VNCKMZFSYMSRDA-UHFFFAOYSA-N 0 1 387.430 3.142 20 0 GGADMN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007251286 570820366 /nfs/dbraw/zinc/82/03/66/570820366.db2.gz PWULTOZZYVHZPO-HXUWFJFHSA-N 0 1 386.927 3.164 20 0 GGADMN CC(C)c1ccc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000012507753 570823513 /nfs/dbraw/zinc/82/35/13/570823513.db2.gz PBAISXGLKINDNP-IBGZPJMESA-N 0 1 377.448 3.417 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000012521399 570828385 /nfs/dbraw/zinc/82/83/85/570828385.db2.gz HNWIDZDQCSYETJ-UHFFFAOYSA-N 0 1 389.351 3.215 20 0 GGADMN Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000012525477 570830727 /nfs/dbraw/zinc/83/07/27/570830727.db2.gz RHNXYETZUMOHBO-UHFFFAOYSA-N 0 1 379.420 3.261 20 0 GGADMN Cn1cnnc1-c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000032833655 570845511 /nfs/dbraw/zinc/84/55/11/570845511.db2.gz WFGZNLIOYMQFMP-UHFFFAOYSA-N 0 1 382.367 3.302 20 0 GGADMN Cc1nc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)nn1-c1ccc(F)cc1 ZINC000032841498 570850244 /nfs/dbraw/zinc/85/02/44/570850244.db2.gz ABLJFEYLMBZSJT-KRWDZBQOSA-N 0 1 399.495 3.343 20 0 GGADMN Cc1c(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000170601780 570859767 /nfs/dbraw/zinc/85/97/67/570859767.db2.gz VNTWMNISYHMECT-IBGZPJMESA-N 0 1 390.422 3.152 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2[nH]c1=S ZINC000102741462 570860425 /nfs/dbraw/zinc/86/04/25/570860425.db2.gz ZRDYXHMVEKEDJE-INIZCTEOSA-N 0 1 379.485 3.070 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2[nH]c1=S ZINC000102754290 570862070 /nfs/dbraw/zinc/86/20/70/570862070.db2.gz CRCNMHQZXWRREW-UHFFFAOYSA-N 0 1 377.372 3.076 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc3[nH]c(=O)oc3c1)O[C@H](C)C2 ZINC000032869173 570862492 /nfs/dbraw/zinc/86/24/92/570862492.db2.gz WOHCLLLWCNPRLV-SNVBAGLBSA-N 0 1 390.417 3.056 20 0 GGADMN O=S(=O)(NC1CCN(CCCOc2ccc(F)cc2)CC1)c1cccs1 ZINC000032865325 570862545 /nfs/dbraw/zinc/86/25/45/570862545.db2.gz HVVZPPNLAFNZNQ-UHFFFAOYSA-N 0 1 398.525 3.099 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1)O[C@H](C)C2 ZINC000012560651 570865234 /nfs/dbraw/zinc/86/52/34/570865234.db2.gz MKOKVFRCAGKWCZ-GFCCVEGCSA-N 0 1 390.461 3.168 20 0 GGADMN Cc1c(O)ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc12 ZINC000015038867 570873099 /nfs/dbraw/zinc/87/30/99/570873099.db2.gz QDYSIARNXPXYNP-UHFFFAOYSA-N 0 1 394.471 3.276 20 0 GGADMN CCOC(=O)C(=C([O-])CSc1ncnc2ccccc21)c1nc(C)cs1 ZINC000103034728 570873461 /nfs/dbraw/zinc/87/34/61/570873461.db2.gz YRKBCIXGAQVZAM-HNNXBMFYSA-N 0 1 387.486 3.403 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000012604066 570887664 /nfs/dbraw/zinc/88/76/64/570887664.db2.gz WTDUUSWCFNYNND-LLVKDONJSA-N 0 1 378.388 3.057 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@@H]1c1cccs1)CC2 ZINC000015301616 570888140 /nfs/dbraw/zinc/88/81/40/570888140.db2.gz IQCMYVGIEMSHMD-QGZVFWFLSA-N 0 1 386.517 3.487 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c(OC)c1)O[C@H](C)C2 ZINC000012605305 570888760 /nfs/dbraw/zinc/88/87/60/570888760.db2.gz ILRWZWWJPQGPKS-GFCCVEGCSA-N 0 1 393.461 3.227 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@@H]2COc3ccccc3C2)N2CCCC2)c1 ZINC000032902475 570898417 /nfs/dbraw/zinc/89/84/17/570898417.db2.gz TZSDBJOOPJTKBO-FPOVZHCZSA-N 0 1 380.488 3.200 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cnc(C(F)(F)F)nc1)N1CCCC1 ZINC000097165470 570901644 /nfs/dbraw/zinc/90/16/44/570901644.db2.gz MLPCCNYQDIVUCG-OAHLLOKOSA-N 0 1 394.397 3.071 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000016962609 570936059 /nfs/dbraw/zinc/93/60/59/570936059.db2.gz XNUUWKRFPPJBDI-INIZCTEOSA-N 0 1 385.895 3.282 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000106136261 570948888 /nfs/dbraw/zinc/94/88/88/570948888.db2.gz JFIFVIMJRBVOFI-CVEARBPZSA-N 0 1 387.553 3.153 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000106136261 570948891 /nfs/dbraw/zinc/94/88/91/570948891.db2.gz JFIFVIMJRBVOFI-CVEARBPZSA-N 0 1 387.553 3.153 20 0 GGADMN CCn1c(CN[C@H](C)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012690188 570949352 /nfs/dbraw/zinc/94/93/52/570949352.db2.gz HECSFFVEOOZGSR-OAHLLOKOSA-N 0 1 386.521 3.157 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1C ZINC000012694604 570963256 /nfs/dbraw/zinc/96/32/56/570963256.db2.gz KCWZCYPSWHKXIP-UHFFFAOYSA-N 0 1 383.492 3.075 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000047538168 570963537 /nfs/dbraw/zinc/96/35/37/570963537.db2.gz YQRRRARZIINUGO-UHFFFAOYSA-N 0 1 392.425 3.043 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012747230 570990287 /nfs/dbraw/zinc/99/02/87/570990287.db2.gz GXONFQLCMMOFFJ-DLBZAZTESA-N 0 1 381.476 3.373 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000045443972 570991467 /nfs/dbraw/zinc/99/14/67/570991467.db2.gz OGJBSJUEYWWTRF-HOCLYGCPSA-N 0 1 381.542 3.114 20 0 GGADMN Cn1c(-c2ccccc2)cnc1Sc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000737591579 598956157 /nfs/dbraw/zinc/95/61/57/598956157.db2.gz VGTTUFNQOKDABE-UHFFFAOYSA-N 0 1 386.444 3.362 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204554 598961341 /nfs/dbraw/zinc/96/13/41/598961341.db2.gz RNWWGBNEWVOOAL-GDBMZVCRSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204554 598961343 /nfs/dbraw/zinc/96/13/43/598961343.db2.gz RNWWGBNEWVOOAL-GDBMZVCRSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204554 598961345 /nfs/dbraw/zinc/96/13/45/598961345.db2.gz RNWWGBNEWVOOAL-GDBMZVCRSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204554 598961347 /nfs/dbraw/zinc/96/13/47/598961347.db2.gz RNWWGBNEWVOOAL-GDBMZVCRSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736130153 598965050 /nfs/dbraw/zinc/96/50/50/598965050.db2.gz GODISCLFBOZDQE-CQSZACIVSA-N 0 1 388.479 3.351 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736130153 598965052 /nfs/dbraw/zinc/96/50/52/598965052.db2.gz GODISCLFBOZDQE-CQSZACIVSA-N 0 1 388.479 3.351 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736101623 599028828 /nfs/dbraw/zinc/02/88/28/599028828.db2.gz OKKWTHHZRFFGDF-OXJNMPFZSA-N 0 1 390.491 3.099 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736101624 599029202 /nfs/dbraw/zinc/02/92/02/599029202.db2.gz OKKWTHHZRFFGDF-OXQOHEQNSA-N 0 1 390.491 3.099 20 0 GGADMN COc1cccc(Oc2ncccc2CNCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737141525 599052828 /nfs/dbraw/zinc/05/28/28/599052828.db2.gz MYASPTLUWZEJCZ-UHFFFAOYSA-N 0 1 388.431 3.352 20 0 GGADMN O=C(C1CCCCCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737792585 599099058 /nfs/dbraw/zinc/09/90/58/599099058.db2.gz REITYYICAHEFTM-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN c1cc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)cc(-c2nn[nH]n2)c1 ZINC000738412790 599174623 /nfs/dbraw/zinc/17/46/23/599174623.db2.gz IRTUKQILMMJSKD-UHFFFAOYSA-N 0 1 375.461 3.433 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000533202697 597071352 /nfs/dbraw/zinc/07/13/52/597071352.db2.gz JXNRMUJYPBGACA-QGZVFWFLSA-N 0 1 384.480 3.004 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000314874670 597076026 /nfs/dbraw/zinc/07/60/26/597076026.db2.gz ABHBBNQBVRYKRT-VIFPVBQESA-N 0 1 386.271 3.247 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000314874670 597076029 /nfs/dbraw/zinc/07/60/29/597076029.db2.gz ABHBBNQBVRYKRT-VIFPVBQESA-N 0 1 386.271 3.247 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000533202971 597083738 /nfs/dbraw/zinc/08/37/38/597083738.db2.gz AWWOUZINSSHBTJ-IAGOWNOFSA-N 0 1 384.480 3.003 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H](CC(=O)[O-])C3)cs2)cc1 ZINC000532881049 597085800 /nfs/dbraw/zinc/08/58/00/597085800.db2.gz JGOSPKIBQOEPBP-OAHLLOKOSA-N 0 1 387.505 3.319 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](CC(=O)[O-])C3)cs2)cc1 ZINC000532881049 597085801 /nfs/dbraw/zinc/08/58/01/597085801.db2.gz JGOSPKIBQOEPBP-OAHLLOKOSA-N 0 1 387.505 3.319 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)cc(=O)oc2c1 ZINC000818221299 597086196 /nfs/dbraw/zinc/08/61/96/597086196.db2.gz JZZMCIHHXWRYIZ-ZDUSSCGKSA-N 0 1 388.420 3.048 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H](CC(=O)[O-])C3)cc(=O)oc2c1 ZINC000818221297 597086367 /nfs/dbraw/zinc/08/63/67/597086367.db2.gz JZZMCIHHXWRYIZ-CYBMUJFWSA-N 0 1 388.420 3.048 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737762266 597197207 /nfs/dbraw/zinc/19/72/07/597197207.db2.gz FXFASTROCDDOHE-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818413244 597230946 /nfs/dbraw/zinc/23/09/46/597230946.db2.gz DJVMLROIIBHGPN-IBGZPJMESA-N 0 1 381.476 3.048 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818413245 597230954 /nfs/dbraw/zinc/23/09/54/597230954.db2.gz DJVMLROIIBHGPN-LJQANCHMSA-N 0 1 381.476 3.048 20 0 GGADMN c1ccc(C[NH+]2CCC(Nc3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000738433177 599254667 /nfs/dbraw/zinc/25/46/67/599254667.db2.gz QBMPCHLVYAVICY-UHFFFAOYSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[NH+]2CCC(Nc3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cc1 ZINC000738433177 599254668 /nfs/dbraw/zinc/25/46/68/599254668.db2.gz QBMPCHLVYAVICY-UHFFFAOYSA-N 0 1 385.475 3.491 20 0 GGADMN Cc1c(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cccc1-c1nn[nH]n1 ZINC000822085311 607289056 /nfs/dbraw/zinc/28/90/56/607289056.db2.gz XVWMZXLMKNQANP-UHFFFAOYSA-N 0 1 397.527 3.295 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000819618302 597333961 /nfs/dbraw/zinc/33/39/61/597333961.db2.gz SPKKJPAWDPVDNB-GOSISDBHSA-N 0 1 381.476 3.347 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000818374417 597338494 /nfs/dbraw/zinc/33/84/94/597338494.db2.gz NBNVGLVNCSZTAF-QGZVFWFLSA-N 0 1 375.856 3.392 20 0 GGADMN Cc1cccc(C[NH+]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)c1 ZINC000737392952 599256871 /nfs/dbraw/zinc/25/68/71/599256871.db2.gz BPLJEMFMABKUFM-UHFFFAOYSA-N 0 1 385.475 3.046 20 0 GGADMN C[C@@H]1CN(Cc2cccc(NCc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H](C)O1 ZINC000820758817 607317542 /nfs/dbraw/zinc/31/75/42/607317542.db2.gz DFZJWYMWYYOLDF-HZPDHXFCSA-N 0 1 378.480 3.088 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820246393 598083792 /nfs/dbraw/zinc/08/37/92/598083792.db2.gz WTCSMEVMOJHCDW-DLBZAZTESA-N 0 1 381.476 3.440 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000820246396 598084106 /nfs/dbraw/zinc/08/41/06/598084106.db2.gz WTCSMEVMOJHCDW-SJORKVTESA-N 0 1 381.476 3.440 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820246395 598084141 /nfs/dbraw/zinc/08/41/41/598084141.db2.gz WTCSMEVMOJHCDW-IRXDYDNUSA-N 0 1 381.476 3.440 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000635526410 598184026 /nfs/dbraw/zinc/18/40/26/598184026.db2.gz QUPIYOAHVPWMNB-LJQANCHMSA-N 0 1 381.476 3.048 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000663126593 598200842 /nfs/dbraw/zinc/20/08/42/598200842.db2.gz AXXVORRXSUNKFA-MJGOQNOKSA-N 0 1 381.476 3.435 20 0 GGADMN C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129699 598212217 /nfs/dbraw/zinc/21/22/17/598212217.db2.gz ORWCOYCKKNYTNA-VQIMIIECSA-N 0 1 381.476 3.346 20 0 GGADMN CCC1(C)CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736396933 598254466 /nfs/dbraw/zinc/25/44/66/598254466.db2.gz PYATZFRKSOXBER-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN FC(F)(F)c1ccc2sc(Sc3nccnc3-c3nn[nH]n3)nc2c1 ZINC000737636472 598339784 /nfs/dbraw/zinc/33/97/84/598339784.db2.gz UDUWDANZUKTHPC-UHFFFAOYSA-N 0 1 381.368 3.436 20 0 GGADMN CN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccc(F)cc1Cl ZINC000736791650 598417438 /nfs/dbraw/zinc/41/74/38/598417438.db2.gz FSHGADLHKOJLBP-UHFFFAOYSA-N 0 1 388.834 3.120 20 0 GGADMN CC1(C)CO[C@H](c2ccccc2)CN1CCOc1ccccc1-c1nn[nH]n1 ZINC000736213578 598462899 /nfs/dbraw/zinc/46/28/99/598462899.db2.gz KKEOEOOCKQJSFH-IBGZPJMESA-N 0 1 379.464 3.098 20 0 GGADMN CCOc1ccc(CN2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cc1 ZINC000736644296 598507645 /nfs/dbraw/zinc/50/76/45/598507645.db2.gz XEKITAMOPHCVBM-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1-c1nn[nH]n1 ZINC000737186511 598530455 /nfs/dbraw/zinc/53/04/55/598530455.db2.gz IXNXPONURMOPGS-BXUZGUMPSA-N 0 1 390.513 3.024 20 0 GGADMN CC[NH+](CC)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccsc1 ZINC000736535862 598574987 /nfs/dbraw/zinc/57/49/87/598574987.db2.gz ZQNFEVJQGZVUQU-CYBMUJFWSA-N 0 1 377.905 3.472 20 0 GGADMN CC[NH+](CC)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccsc1 ZINC000736535862 598574989 /nfs/dbraw/zinc/57/49/89/598574989.db2.gz ZQNFEVJQGZVUQU-CYBMUJFWSA-N 0 1 377.905 3.472 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736470387 598678417 /nfs/dbraw/zinc/67/84/17/598678417.db2.gz OXVSSNFKKSDNKD-UHFFFAOYSA-N 0 1 382.443 3.165 20 0 GGADMN Cc1nc2ccc(NC(=O)CCCCOc3cccc(-c4nn[nH]n4)c3)cc2[nH]1 ZINC000737489566 598683196 /nfs/dbraw/zinc/68/31/96/598683196.db2.gz ZFDJQXRISMENHR-UHFFFAOYSA-N 0 1 391.435 3.239 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](CCc2ccccc2)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822547667 607365325 /nfs/dbraw/zinc/36/53/25/607365325.db2.gz ATAVXHWBFTWEDC-UHFFFAOYSA-N 0 1 396.495 3.216 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](CCc2ccccc2)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822547667 607365326 /nfs/dbraw/zinc/36/53/26/607365326.db2.gz ATAVXHWBFTWEDC-UHFFFAOYSA-N 0 1 396.495 3.216 20 0 GGADMN C[C@@H](OC(=O)COc1cccc(-c2nn[nH]n2)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736155293 598740035 /nfs/dbraw/zinc/74/00/35/598740035.db2.gz MAGTUEFZRZVAPI-SNVBAGLBSA-N 0 1 398.810 3.080 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000736136048 598786725 /nfs/dbraw/zinc/78/67/25/598786725.db2.gz ZMCKJVLHXYCMIH-NWDGAFQWSA-N 0 1 393.476 3.154 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1 ZINC000736571409 598818636 /nfs/dbraw/zinc/81/86/36/598818636.db2.gz QKOKBIJSVCRBBP-GOSISDBHSA-N 0 1 392.463 3.472 20 0 GGADMN C[C@@H](NCCOc1ccc(-c2nn[nH]n2)cc1)c1nc2ccccc2n1C(F)F ZINC000820420459 599382190 /nfs/dbraw/zinc/38/21/90/599382190.db2.gz RIZNHROZQDOLNY-GFCCVEGCSA-N 0 1 399.405 3.341 20 0 GGADMN C(=C\c1ccccc1)\CN1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000735390670 599392706 /nfs/dbraw/zinc/39/27/06/599392706.db2.gz BHCACUVUYWZZAL-TWGQIWQCSA-N 0 1 397.486 3.250 20 0 GGADMN Cc1cccc(NC[C@H]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)C2)n1 ZINC000822323658 599510857 /nfs/dbraw/zinc/51/08/57/599510857.db2.gz LSCLRVGKYQKOGE-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H]1CN(C(C)(C)CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000736288378 599517566 /nfs/dbraw/zinc/51/75/66/599517566.db2.gz BFJBIMPTYWBPSC-VXGBXAGGSA-N 0 1 398.433 3.185 20 0 GGADMN Cc1ccc(C)c(OCCCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000737327288 599522731 /nfs/dbraw/zinc/52/27/31/599522731.db2.gz YJHCEVDIHWZNFR-UHFFFAOYSA-N 0 1 375.432 3.268 20 0 GGADMN C[C@H]1CN(Cc2cccc(Nc3ncc(-c4nn[nH]n4)cc3Cl)c2)C[C@H](C)O1 ZINC000736287840 599525914 /nfs/dbraw/zinc/52/59/14/599525914.db2.gz GKUWLCVPELEVON-STQMWFEESA-N 0 1 399.886 3.268 20 0 GGADMN c1ccc(CC[N@@H+]2CC[C@H](CNc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cc1 ZINC000823779934 599528044 /nfs/dbraw/zinc/52/80/44/599528044.db2.gz LOIXPOKYQULLDS-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@H](CNc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cc1 ZINC000823779934 599528046 /nfs/dbraw/zinc/52/80/46/599528046.db2.gz LOIXPOKYQULLDS-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@@H+]2CC[C@H](CNc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000823779934 599528049 /nfs/dbraw/zinc/52/80/49/599528049.db2.gz LOIXPOKYQULLDS-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@H](CNc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000823779934 599528052 /nfs/dbraw/zinc/52/80/52/599528052.db2.gz LOIXPOKYQULLDS-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1OCC(F)(F)F ZINC000821609810 599559130 /nfs/dbraw/zinc/55/91/30/599559130.db2.gz MTRSDBYODBOONJ-UHFFFAOYSA-N 0 1 377.370 3.440 20 0 GGADMN Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c1 ZINC000737325232 599559955 /nfs/dbraw/zinc/55/99/55/599559955.db2.gz BMSULXWEUFCWJS-UHFFFAOYSA-N 0 1 397.382 3.303 20 0 GGADMN C[C@@H](CN(C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccccc1 ZINC000820253912 599571314 /nfs/dbraw/zinc/57/13/14/599571314.db2.gz KYKGAUNJLFVKBN-AWEZNQCLSA-N 0 1 375.436 3.152 20 0 GGADMN CN(Cc1ccco1)Cc1ccccc1CNc1ncccc1-c1nn[nH]n1 ZINC000821615572 599578708 /nfs/dbraw/zinc/57/87/08/599578708.db2.gz COWMFDDVAMJXOU-UHFFFAOYSA-N 0 1 375.436 3.099 20 0 GGADMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc(-c2nn[nH]n2)cn1 ZINC000821615886 599578978 /nfs/dbraw/zinc/57/89/78/599578978.db2.gz SMTFHANZJZQUBI-UHFFFAOYSA-N 0 1 375.436 3.099 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000820684414 599697711 /nfs/dbraw/zinc/69/77/11/599697711.db2.gz PHXZKMWYECMPSC-GJZGRUSLSA-N 0 1 392.463 3.470 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000261907217 599704874 /nfs/dbraw/zinc/70/48/74/599704874.db2.gz GBQWWBDJUKYWAF-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000261907217 599704877 /nfs/dbraw/zinc/70/48/77/599704877.db2.gz GBQWWBDJUKYWAF-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000566074730 599707719 /nfs/dbraw/zinc/70/77/19/599707719.db2.gz QUDLETWYZFDBBQ-KCZVDYSFSA-N 0 1 383.488 3.259 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc(NC(C)=O)c1)CC2 ZINC000737905788 599709547 /nfs/dbraw/zinc/70/95/47/599709547.db2.gz SFQXXHWJQPKAKT-IBGZPJMESA-N 0 1 398.459 3.236 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000736217901 599711475 /nfs/dbraw/zinc/71/14/75/599711475.db2.gz HZCOXORRQITYCZ-HOCLYGCPSA-N 0 1 385.489 3.107 20 0 GGADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000739517767 599711931 /nfs/dbraw/zinc/71/19/31/599711931.db2.gz RCNGXGALMGDJOX-GOSISDBHSA-N 0 1 390.842 3.453 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736598258 599712898 /nfs/dbraw/zinc/71/28/98/599712898.db2.gz KKWWWRHIZPXLTD-CYBMUJFWSA-N 0 1 386.427 3.484 20 0 GGADMN COc1c(C)cc(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000573571844 599719722 /nfs/dbraw/zinc/71/97/22/599719722.db2.gz GXKQOEMKDHDSSW-INIZCTEOSA-N 0 1 384.476 3.147 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000737336347 599720340 /nfs/dbraw/zinc/72/03/40/599720340.db2.gz QDGRAZLUELLFHC-MRXNPFEDSA-N 0 1 378.469 3.095 20 0 GGADMN CC[C@@H]([NH2+]Cc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nnc2n1CCCCC2 ZINC000736919065 599730191 /nfs/dbraw/zinc/73/01/91/599730191.db2.gz XFICHVHHOGLEPX-QGZVFWFLSA-N 0 1 386.496 3.326 20 0 GGADMN CC[C@H]([NH2+]Cc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nnc2n1CCCCC2 ZINC000736919064 599730462 /nfs/dbraw/zinc/73/04/62/599730462.db2.gz XFICHVHHOGLEPX-KRWDZBQOSA-N 0 1 386.496 3.326 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000737684801 599753612 /nfs/dbraw/zinc/75/36/12/599753612.db2.gz LAPGERFXLRVDIK-KRWDZBQOSA-N 0 1 396.443 3.022 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000737069061 599762688 /nfs/dbraw/zinc/76/26/88/599762688.db2.gz OMLUVLNKDVLBSH-NRFANRHFSA-N 0 1 391.471 3.444 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccccc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737407981 599771521 /nfs/dbraw/zinc/77/15/21/599771521.db2.gz HFOKAJLGNARGLK-DYVFJYSZSA-N 0 1 384.259 3.491 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000477837708 599779694 /nfs/dbraw/zinc/77/96/94/599779694.db2.gz LOKJDMZCHWPBQZ-ZACQAIPSSA-N 0 1 398.425 3.295 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000736457485 599789340 /nfs/dbraw/zinc/78/93/40/599789340.db2.gz KXISGYAWTNZNDO-UHFFFAOYSA-N 0 1 376.478 3.340 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccccc1C(F)(F)F ZINC000739505550 599792511 /nfs/dbraw/zinc/79/25/11/599792511.db2.gz RKTVBUDKKYULFB-INIZCTEOSA-N 0 1 376.338 3.202 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+](Cc2ccccc2F)C2CCCCC2)CC1 ZINC000738544897 599793326 /nfs/dbraw/zinc/79/33/26/599793326.db2.gz GCTHGGILEUYSHF-UHFFFAOYSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C2CCCCC2)CC1 ZINC000738544897 599793327 /nfs/dbraw/zinc/79/33/27/599793327.db2.gz GCTHGGILEUYSHF-UHFFFAOYSA-N 0 1 376.472 3.284 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)s2)c1 ZINC000737688413 599811105 /nfs/dbraw/zinc/81/11/05/599811105.db2.gz XTSXFLTXPIWSIK-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000737688413 599811107 /nfs/dbraw/zinc/81/11/07/599811107.db2.gz XTSXFLTXPIWSIK-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000737681676 599811550 /nfs/dbraw/zinc/81/15/50/599811550.db2.gz KEVLWBVDDZGNET-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000737681676 599811551 /nfs/dbraw/zinc/81/15/51/599811551.db2.gz KEVLWBVDDZGNET-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN CNC(=O)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737539670 599812683 /nfs/dbraw/zinc/81/26/83/599812683.db2.gz UBFUBYCTPXRRFD-IBGZPJMESA-N 0 1 389.455 3.310 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739759100 599829875 /nfs/dbraw/zinc/82/98/75/599829875.db2.gz HMUNGLHERZVRJF-HXUWFJFHSA-N 0 1 395.503 3.390 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736810473 599843745 /nfs/dbraw/zinc/84/37/45/599843745.db2.gz ONKLKKCPGULQMP-ZIAGYGMSSA-N 0 1 386.423 3.385 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000736756871 599843888 /nfs/dbraw/zinc/84/38/88/599843888.db2.gz WZWJISCQCAEDCP-JTDSTZFVSA-N 0 1 375.513 3.073 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000737514153 599853650 /nfs/dbraw/zinc/85/36/50/599853650.db2.gz FMDQQTZTNGSYMH-AWEZNQCLSA-N 0 1 388.489 3.342 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000737514156 599853695 /nfs/dbraw/zinc/85/36/95/599853695.db2.gz FMDQQTZTNGSYMH-CQSZACIVSA-N 0 1 388.489 3.342 20 0 GGADMN C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736586574 599855924 /nfs/dbraw/zinc/85/59/24/599855924.db2.gz NZPKXPPZLRYGND-KRWDZBQOSA-N 0 1 386.467 3.247 20 0 GGADMN COc1ccc(COCC[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC000738010168 599856311 /nfs/dbraw/zinc/85/63/11/599856311.db2.gz BQVOAHPKQIUCNX-QGZVFWFLSA-N 0 1 384.476 3.121 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000738532457 599857032 /nfs/dbraw/zinc/85/70/32/599857032.db2.gz MCEFUNHRWSIMTF-MRXNPFEDSA-N 0 1 397.475 3.137 20 0 GGADMN COc1ccc(-n2ccc(C[NH2+]Cc3cc(C)c(OCC(=O)[O-])c(C)c3)n2)cc1 ZINC000737917984 599859783 /nfs/dbraw/zinc/85/97/83/599859783.db2.gz NIBMUAIXGLYRJG-UHFFFAOYSA-N 0 1 395.459 3.251 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736789427 599865280 /nfs/dbraw/zinc/86/52/80/599865280.db2.gz NAGKJWJVTXFKAZ-QFBILLFUSA-N 0 1 388.512 3.003 20 0 GGADMN Cc1c(O)ccc2c(C[N@@H+](CC(=O)[O-])Cc3ccc(F)c(F)c3)cc(=O)oc12 ZINC000738305872 599865559 /nfs/dbraw/zinc/86/55/59/599865559.db2.gz RXHFYJOMRDNSPH-UHFFFAOYSA-N 0 1 389.354 3.172 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736789429 599865609 /nfs/dbraw/zinc/86/56/09/599865609.db2.gz NAGKJWJVTXFKAZ-VQIMIIECSA-N 0 1 388.512 3.003 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736414540 599878427 /nfs/dbraw/zinc/87/84/27/599878427.db2.gz YTUAYWGGARIMSW-RBBKRZOGSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736414540 599878428 /nfs/dbraw/zinc/87/84/28/599878428.db2.gz YTUAYWGGARIMSW-RBBKRZOGSA-N 0 1 380.488 3.250 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736886963 599878448 /nfs/dbraw/zinc/87/84/48/599878448.db2.gz QJJWAYSAUYYZPD-WQTXXOFMSA-N 0 1 380.488 3.250 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736886963 599878450 /nfs/dbraw/zinc/87/84/50/599878450.db2.gz QJJWAYSAUYYZPD-WQTXXOFMSA-N 0 1 380.488 3.250 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000738519561 599894553 /nfs/dbraw/zinc/89/45/53/599894553.db2.gz SOLYVGCGHLNLPL-UZLBHIALSA-N 0 1 382.460 3.484 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000738519561 599894555 /nfs/dbraw/zinc/89/45/55/599894555.db2.gz SOLYVGCGHLNLPL-UZLBHIALSA-N 0 1 382.460 3.484 20 0 GGADMN CC1(C)C[N@H+](C2(CNC(=O)c3cccc(NC(=O)[O-])c3)CCCCC2)CCO1 ZINC000736736174 599899847 /nfs/dbraw/zinc/89/98/47/599899847.db2.gz XXQVSKSLIZIVJS-UHFFFAOYSA-N 0 1 389.496 3.320 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000736796716 599928181 /nfs/dbraw/zinc/92/81/81/599928181.db2.gz YRUXWBQUKWMSHW-HUUCEWRRSA-N 0 1 378.538 3.492 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737115069 599930446 /nfs/dbraw/zinc/93/04/46/599930446.db2.gz HSAOHXFRSZQBOJ-UHFFFAOYSA-N 0 1 382.464 3.166 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)CC2)[nH+]c1 ZINC000738618336 599931672 /nfs/dbraw/zinc/93/16/72/599931672.db2.gz ZPENHVPHSFRPIR-LJQANCHMSA-N 0 1 381.476 3.329 20 0 GGADMN O=C([O-])Nc1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000740026764 599934911 /nfs/dbraw/zinc/93/49/11/599934911.db2.gz BXNVGMHRVDVMRG-UHFFFAOYSA-N 0 1 379.460 3.439 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1)C(=O)[O-] ZINC000574213130 599937198 /nfs/dbraw/zinc/93/71/98/599937198.db2.gz JJSUBSSMUSBIOG-AWEZNQCLSA-N 0 1 395.415 3.188 20 0 GGADMN CCN(CC)C(=O)N1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737079277 599937454 /nfs/dbraw/zinc/93/74/54/599937454.db2.gz ATXGTIHWOPAFRM-UHFFFAOYSA-N 0 1 375.494 3.179 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1cccc(F)c1 ZINC000739498365 599941072 /nfs/dbraw/zinc/94/10/72/599941072.db2.gz LMZBITOITRAUSE-VQTJNVASSA-N 0 1 398.478 3.097 20 0 GGADMN C[C@@H](C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CC1)C(=O)[O-] ZINC000736577617 599948762 /nfs/dbraw/zinc/94/87/62/599948762.db2.gz FALZHBRBSRQDMZ-JTQLQIEISA-N 0 1 387.249 3.102 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000739867452 599952225 /nfs/dbraw/zinc/95/22/25/599952225.db2.gz GXTIGNYJZLLVRD-GOSISDBHSA-N 0 1 399.516 3.250 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000738987052 599953204 /nfs/dbraw/zinc/95/32/04/599953204.db2.gz LLMIAIPPXGZZDN-GFCCVEGCSA-N 0 1 382.420 3.385 20 0 GGADMN CCCc1c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041696 599953573 /nfs/dbraw/zinc/95/35/73/599953573.db2.gz SPBWNXGPJYGYLG-SFHVURJKSA-N 0 1 397.519 3.268 20 0 GGADMN CCOCC[N@H+]1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1C ZINC000737176545 599961528 /nfs/dbraw/zinc/96/15/28/599961528.db2.gz FSRMBNQNDLWUCT-ZDUSSCGKSA-N 0 1 380.485 3.281 20 0 GGADMN CCOCCN1CC[N@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1C ZINC000737176545 599961530 /nfs/dbraw/zinc/96/15/30/599961530.db2.gz FSRMBNQNDLWUCT-ZDUSSCGKSA-N 0 1 380.485 3.281 20 0 GGADMN CCOCCN1CC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1C ZINC000737176545 599961532 /nfs/dbraw/zinc/96/15/32/599961532.db2.gz FSRMBNQNDLWUCT-ZDUSSCGKSA-N 0 1 380.485 3.281 20 0 GGADMN COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1C ZINC000737994896 599963133 /nfs/dbraw/zinc/96/31/33/599963133.db2.gz MSCXQUCKDWLCRS-UHFFFAOYSA-N 0 1 376.478 3.451 20 0 GGADMN COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1C ZINC000737994896 599963138 /nfs/dbraw/zinc/96/31/38/599963138.db2.gz MSCXQUCKDWLCRS-UHFFFAOYSA-N 0 1 376.478 3.451 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000737454617 599963373 /nfs/dbraw/zinc/96/33/73/599963373.db2.gz XBFXLBBQQOJNHQ-UHFFFAOYSA-N 0 1 398.532 3.392 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000738518856 599964099 /nfs/dbraw/zinc/96/40/99/599964099.db2.gz PFBKWHRSVACSAP-INIZCTEOSA-N 0 1 375.513 3.072 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000738518856 599964100 /nfs/dbraw/zinc/96/41/00/599964100.db2.gz PFBKWHRSVACSAP-INIZCTEOSA-N 0 1 375.513 3.072 20 0 GGADMN C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737407639 599967529 /nfs/dbraw/zinc/96/75/29/599967529.db2.gz DDFIJPIHNGNQKL-AEFFLSMTSA-N 0 1 378.469 3.018 20 0 GGADMN C[N@@H+](C[C@@H](c1cccs1)N1CCOCC1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737407647 599967896 /nfs/dbraw/zinc/96/78/96/599967896.db2.gz DDFIJPIHNGNQKL-WMZOPIPTSA-N 0 1 378.469 3.018 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000739371054 599971942 /nfs/dbraw/zinc/97/19/42/599971942.db2.gz ZZUVWYRYUROYTD-BEFAXECRSA-N 0 1 388.414 3.119 20 0 GGADMN O=C([O-])CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000263226677 599981031 /nfs/dbraw/zinc/98/10/31/599981031.db2.gz LXVIIRNFEFMTBW-UHFFFAOYSA-N 0 1 388.295 3.122 20 0 GGADMN COc1ccc(F)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000738016559 599986295 /nfs/dbraw/zinc/98/62/95/599986295.db2.gz DAYWHGDDYPTRJX-KRWDZBQOSA-N 0 1 389.423 3.426 20 0 GGADMN COc1ccc(F)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000738016559 599986298 /nfs/dbraw/zinc/98/62/98/599986298.db2.gz DAYWHGDDYPTRJX-KRWDZBQOSA-N 0 1 389.423 3.426 20 0 GGADMN O=C([O-])Nc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000740043468 600009215 /nfs/dbraw/zinc/00/92/15/600009215.db2.gz SSXFTWKBGDXAOS-KRWDZBQOSA-N 0 1 382.464 3.463 20 0 GGADMN Cc1cc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1C(=O)[O-] ZINC000738444262 600011868 /nfs/dbraw/zinc/01/18/68/600011868.db2.gz KNFYOVLRMWOZJO-MRXNPFEDSA-N 0 1 397.475 3.236 20 0 GGADMN Cc1cc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1C(=O)[O-] ZINC000738444262 600011870 /nfs/dbraw/zinc/01/18/70/600011870.db2.gz KNFYOVLRMWOZJO-MRXNPFEDSA-N 0 1 397.475 3.236 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000737389685 600012296 /nfs/dbraw/zinc/01/22/96/600012296.db2.gz PRHXKYYUTRETBD-RTWAWAEBSA-N 0 1 378.472 3.034 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263097548 600014467 /nfs/dbraw/zinc/01/44/67/600014467.db2.gz WDUGWKKHBJMLFH-VXESANQCSA-N 0 1 387.524 3.361 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736796115 600018799 /nfs/dbraw/zinc/01/87/99/600018799.db2.gz XCWVUQCPOHAMJJ-HUUCEWRRSA-N 0 1 379.526 3.246 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000739872720 600020395 /nfs/dbraw/zinc/02/03/95/600020395.db2.gz ZRJBKMNXUSUCSS-UHFFFAOYSA-N 0 1 385.489 3.142 20 0 GGADMN O=C([O-])COc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000738612616 600022502 /nfs/dbraw/zinc/02/25/02/600022502.db2.gz OEVNIDQBGDEIDA-GOSISDBHSA-N 0 1 389.496 3.316 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000740024842 600025974 /nfs/dbraw/zinc/02/59/74/600025974.db2.gz LXOZOITWYXWFJI-FQEVSTJZSA-N 0 1 381.476 3.490 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000263490520 600028346 /nfs/dbraw/zinc/02/83/46/600028346.db2.gz RAOMDSVBGKFFMW-UHFFFAOYSA-N 0 1 393.915 3.201 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000263490520 600028350 /nfs/dbraw/zinc/02/83/50/600028350.db2.gz RAOMDSVBGKFFMW-UHFFFAOYSA-N 0 1 393.915 3.201 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000263489465 600030710 /nfs/dbraw/zinc/03/07/10/600030710.db2.gz QPPPRTAWDXJCSO-UHFFFAOYSA-N 0 1 387.524 3.281 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670992 600036245 /nfs/dbraw/zinc/03/62/45/600036245.db2.gz PEKUNUSJTGUSRG-FPOVZHCZSA-N 0 1 378.472 3.460 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883899 600036953 /nfs/dbraw/zinc/03/69/53/600036953.db2.gz PMEUEBGPZUDYTG-UTKZUKDTSA-N 0 1 380.488 3.325 20 0 GGADMN CC[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000236954708 600038226 /nfs/dbraw/zinc/03/82/26/600038226.db2.gz RGCIUYUZTUICNO-NRFANRHFSA-N 0 1 380.488 3.271 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000739256553 600042686 /nfs/dbraw/zinc/04/26/86/600042686.db2.gz NGZQAGCCYIIHHU-OAQYLSRUSA-N 0 1 380.488 3.488 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000739286102 600045905 /nfs/dbraw/zinc/04/59/05/600045905.db2.gz NRGVDWSRMNHNTE-MSOLQXFVSA-N 0 1 397.500 3.178 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000739286102 600045906 /nfs/dbraw/zinc/04/59/06/600045906.db2.gz NRGVDWSRMNHNTE-MSOLQXFVSA-N 0 1 397.500 3.178 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737113584 600059905 /nfs/dbraw/zinc/05/99/05/600059905.db2.gz DVMNPCSZOVRRBD-MRXNPFEDSA-N 0 1 381.567 3.165 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000738003960 600061100 /nfs/dbraw/zinc/06/11/00/600061100.db2.gz LWRPZISXPRQBMQ-UHFFFAOYSA-N 0 1 396.487 3.061 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737116915 600062891 /nfs/dbraw/zinc/06/28/91/600062891.db2.gz RYGXQIMXSSOIAV-UHFFFAOYSA-N 0 1 395.503 3.094 20 0 GGADMN Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000237692299 600065992 /nfs/dbraw/zinc/06/59/92/600065992.db2.gz HPKNTPRWGSTEQG-RTWAWAEBSA-N 0 1 380.488 3.019 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000740188897 600071614 /nfs/dbraw/zinc/07/16/14/600071614.db2.gz OSONYEUQICFSQY-LJQANCHMSA-N 0 1 382.485 3.017 20 0 GGADMN CCc1[nH]c(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)c(C)c1C(=O)[O-] ZINC000737240016 600074141 /nfs/dbraw/zinc/07/41/41/600074141.db2.gz DRRXTYRSRGERNH-KRWDZBQOSA-N 0 1 398.507 3.105 20 0 GGADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739408157 600077613 /nfs/dbraw/zinc/07/76/13/600077613.db2.gz VXQLIDNTLDRNMM-ZDUSSCGKSA-N 0 1 375.400 3.151 20 0 GGADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739407699 600077690 /nfs/dbraw/zinc/07/76/90/600077690.db2.gz SGZCHVKIHBVJHL-ZDUSSCGKSA-N 0 1 375.400 3.151 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000740079737 600084938 /nfs/dbraw/zinc/08/49/38/600084938.db2.gz SQGHCPXRDIEAID-UHFFFAOYSA-N 0 1 394.244 3.004 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Br)cc1 ZINC000739723045 600091571 /nfs/dbraw/zinc/09/15/71/600091571.db2.gz CNGQVVLTWRCOHQ-QGZVFWFLSA-N 0 1 378.266 3.459 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@H]1CCCCO1 ZINC000737010784 600091746 /nfs/dbraw/zinc/09/17/46/600091746.db2.gz ADVCDBMYGXDNLW-CYBMUJFWSA-N 0 1 380.510 3.155 20 0 GGADMN CCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@H]1CCCCO1 ZINC000737010784 600091749 /nfs/dbraw/zinc/09/17/49/600091749.db2.gz ADVCDBMYGXDNLW-CYBMUJFWSA-N 0 1 380.510 3.155 20 0 GGADMN CCc1csc([C@@H]2CCC[N@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000737274281 600092074 /nfs/dbraw/zinc/09/20/74/600092074.db2.gz GPKITZMREQFCNQ-CYBMUJFWSA-N 0 1 375.494 3.411 20 0 GGADMN CCc1csc([C@@H]2CCC[N@@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000737274281 600092077 /nfs/dbraw/zinc/09/20/77/600092077.db2.gz GPKITZMREQFCNQ-CYBMUJFWSA-N 0 1 375.494 3.411 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737440680 600097103 /nfs/dbraw/zinc/09/71/03/600097103.db2.gz IWEYPEQLDWPXFI-UHFFFAOYSA-N 0 1 392.459 3.278 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000737441632 600097123 /nfs/dbraw/zinc/09/71/23/600097123.db2.gz YFGQKGWZAPQJEY-UHFFFAOYSA-N 0 1 398.488 3.340 20 0 GGADMN CCn1cnnc1[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000737303021 600097441 /nfs/dbraw/zinc/09/74/41/600097441.db2.gz MALKQNMTCOMONS-INIZCTEOSA-N 0 1 397.504 3.499 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737440327 600097478 /nfs/dbraw/zinc/09/74/78/600097478.db2.gz FSNYBJPYZQGBQO-UHFFFAOYSA-N 0 1 392.459 3.278 20 0 GGADMN CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000737303024 600097593 /nfs/dbraw/zinc/09/75/93/600097593.db2.gz MALKQNMTCOMONS-MRXNPFEDSA-N 0 1 397.504 3.499 20 0 GGADMN COc1ccccc1C(C)(C)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000738119425 600102853 /nfs/dbraw/zinc/10/28/53/600102853.db2.gz GIKCUTUVQHQTSC-UHFFFAOYSA-N 0 1 387.461 3.025 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738237334 600120109 /nfs/dbraw/zinc/12/01/09/600120109.db2.gz UOMQYXMKZBPQQD-OAHLLOKOSA-N 0 1 397.475 3.252 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736473664 600123726 /nfs/dbraw/zinc/12/37/26/600123726.db2.gz CBCLWUCOZKJNRO-INIZCTEOSA-N 0 1 379.526 3.246 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000739754500 600124610 /nfs/dbraw/zinc/12/46/10/600124610.db2.gz SWQKEEDIHMRJHB-IRXDYDNUSA-N 0 1 377.510 3.143 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218352 600129360 /nfs/dbraw/zinc/12/93/60/600129360.db2.gz NVWWRIAKJGLWLD-DOTOQJQBSA-N 0 1 399.516 3.498 20 0 GGADMN CC[C@@]([NH2+]CC(=O)Nc1ccccc1Br)(C(=O)[O-])c1ccccc1 ZINC000736917455 600131715 /nfs/dbraw/zinc/13/17/15/600131715.db2.gz MTFCQCPXJIINAI-SFHVURJKSA-N 0 1 391.265 3.367 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339527 600132551 /nfs/dbraw/zinc/13/25/51/600132551.db2.gz IXHWGNCXFHGHQY-NQIIRXRSSA-N 0 1 384.451 3.170 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000164664028 600139093 /nfs/dbraw/zinc/13/90/93/600139093.db2.gz GFRZGMJSOUWAOM-HXUWFJFHSA-N 0 1 380.488 3.121 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736571685 600143247 /nfs/dbraw/zinc/14/32/47/600143247.db2.gz MTAVTAFCSNDXPU-IIBYNOLFSA-N 0 1 393.487 3.015 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000738554106 600156064 /nfs/dbraw/zinc/15/60/64/600156064.db2.gz ILBOVOUBVUPIRP-NHCUHLMSSA-N 0 1 380.488 3.192 20 0 GGADMN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cn2ncc3cc(C(=O)[O-])ccc32)CC1 ZINC000737335800 600166969 /nfs/dbraw/zinc/16/69/69/600166969.db2.gz JNENWJBSENEYHP-UHFFFAOYSA-N 0 1 388.468 3.023 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000738476478 600174715 /nfs/dbraw/zinc/17/47/15/600174715.db2.gz PGZPRXCTEFSMPI-SFHVURJKSA-N 0 1 376.840 3.353 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737114909 600175486 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CCc1[nH]c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000737241118 600260374 /nfs/dbraw/zinc/26/03/74/600260374.db2.gz JYFGEEIASAATJG-HOCLYGCPSA-N 0 1 375.513 3.310 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000737284223 600272126 /nfs/dbraw/zinc/27/21/26/600272126.db2.gz FJJZWPFWJRCPRL-CABCVRRESA-N 0 1 387.505 3.488 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000737283824 600275176 /nfs/dbraw/zinc/27/51/76/600275176.db2.gz AJXQEAFYEQTXQQ-LLVKDONJSA-N 0 1 378.379 3.291 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604892 600280558 /nfs/dbraw/zinc/28/05/58/600280558.db2.gz PXZFWIXGLBRBHB-QFBILLFUSA-N 0 1 382.435 3.253 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000739720462 600281616 /nfs/dbraw/zinc/28/16/16/600281616.db2.gz YZAPWNQHRXWDLX-UHFFFAOYSA-N 0 1 396.777 3.461 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000739720462 600281617 /nfs/dbraw/zinc/28/16/17/600281617.db2.gz YZAPWNQHRXWDLX-UHFFFAOYSA-N 0 1 396.777 3.461 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cn1nc(Cc3ccccc3F)oc1=S)CC2 ZINC000739536969 600281716 /nfs/dbraw/zinc/28/17/16/600281716.db2.gz QBSGKRCXUPYRDW-ZDUSSCGKSA-N 0 1 377.441 3.080 20 0 GGADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736811459 600282352 /nfs/dbraw/zinc/28/23/52/600282352.db2.gz ZBFBBCOVEZBOEL-RYUDHWBXSA-N 0 1 383.876 3.048 20 0 GGADMN CCOC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000737164509 600285836 /nfs/dbraw/zinc/28/58/36/600285836.db2.gz RTZZMWXOYBFJID-ZDUSSCGKSA-N 0 1 380.510 3.012 20 0 GGADMN CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000737164509 600285839 /nfs/dbraw/zinc/28/58/39/600285839.db2.gz RTZZMWXOYBFJID-ZDUSSCGKSA-N 0 1 380.510 3.012 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738237823 600286778 /nfs/dbraw/zinc/28/67/78/600286778.db2.gz XJKUDKYEXDHZMP-WBAXXEDZSA-N 0 1 389.540 3.487 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000738530519 600286829 /nfs/dbraw/zinc/28/68/29/600286829.db2.gz DHGSJYOSRNGZFV-ZWKOTPCHSA-N 0 1 387.524 3.218 20 0 GGADMN Cc1ccc(N2CCC(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)CC2)[nH+]c1 ZINC000738617469 600288638 /nfs/dbraw/zinc/28/86/38/600288638.db2.gz VYYJFHILJDQDHM-UHFFFAOYSA-N 0 1 382.464 3.355 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000739277934 600289646 /nfs/dbraw/zinc/28/96/46/600289646.db2.gz LEWQOMYAFMTHPH-LLVKDONJSA-N 0 1 388.798 3.067 20 0 GGADMN CC(C)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000736463547 600293291 /nfs/dbraw/zinc/29/32/91/600293291.db2.gz PRZGENNMRCQBAT-UHFFFAOYSA-N 0 1 378.469 3.356 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738902125 600296393 /nfs/dbraw/zinc/29/63/93/600296393.db2.gz HKHKOCIMJAYSBD-SJLPKXTDSA-N 0 1 396.491 3.003 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N(Cc1ccc(C)cc1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000736918869 600304159 /nfs/dbraw/zinc/30/41/59/600304159.db2.gz BQQWRYXEDMTFIQ-QHCPKHFHSA-N 0 1 380.488 3.466 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736920231 600304941 /nfs/dbraw/zinc/30/49/41/600304941.db2.gz OPQAYLXMBDHALE-QKKBWIMNSA-N 0 1 390.430 3.464 20 0 GGADMN CC[C@]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736920599 600304985 /nfs/dbraw/zinc/30/49/85/600304985.db2.gz WIOYQXZBDRBYLU-KSFYIVLOSA-N 0 1 384.476 3.194 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736200983 600305854 /nfs/dbraw/zinc/30/58/54/600305854.db2.gz TXCDJHVMGJZJOH-GOEBONIOSA-N 0 1 391.537 3.384 20 0 GGADMN C[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737393541 600308531 /nfs/dbraw/zinc/30/85/31/600308531.db2.gz BKGBCGTZNNDLHD-SFHVURJKSA-N 0 1 393.487 3.211 20 0 GGADMN C[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737393541 600308534 /nfs/dbraw/zinc/30/85/34/600308534.db2.gz BKGBCGTZNNDLHD-SFHVURJKSA-N 0 1 393.487 3.211 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000739983406 600309463 /nfs/dbraw/zinc/30/94/63/600309463.db2.gz ATIUIWAPCDYSOA-QGZVFWFLSA-N 0 1 385.439 3.444 20 0 GGADMN COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737599483 600326339 /nfs/dbraw/zinc/32/63/39/600326339.db2.gz VPBOYRULWQZYHG-UHFFFAOYSA-N 0 1 381.350 3.367 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737654323 600326618 /nfs/dbraw/zinc/32/66/18/600326618.db2.gz QMKGGRMCXNEHNJ-UHFFFAOYSA-N 0 1 381.350 3.367 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737654323 600326622 /nfs/dbraw/zinc/32/66/22/600326622.db2.gz QMKGGRMCXNEHNJ-UHFFFAOYSA-N 0 1 381.350 3.367 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000739717101 600326788 /nfs/dbraw/zinc/32/67/88/600326788.db2.gz GONWEAKTAAAXPD-APWZRJJASA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000739717101 600326791 /nfs/dbraw/zinc/32/67/91/600326791.db2.gz GONWEAKTAAAXPD-APWZRJJASA-N 0 1 394.462 3.423 20 0 GGADMN Cc1ccc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1F ZINC000738622578 600327998 /nfs/dbraw/zinc/32/79/98/600327998.db2.gz XJZIDFMVXIMTKF-UHFFFAOYSA-N 0 1 380.366 3.328 20 0 GGADMN Cc1ccc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1F ZINC000738622578 600328000 /nfs/dbraw/zinc/32/80/00/600328000.db2.gz XJZIDFMVXIMTKF-UHFFFAOYSA-N 0 1 380.366 3.328 20 0 GGADMN Cc1cccc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000738734783 600328170 /nfs/dbraw/zinc/32/81/70/600328170.db2.gz MLIQIDRJJZHYBJ-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN Cc1cccc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000738734783 600328171 /nfs/dbraw/zinc/32/81/71/600328171.db2.gz MLIQIDRJJZHYBJ-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000739273240 600330539 /nfs/dbraw/zinc/33/05/39/600330539.db2.gz GFVFSIZCQNUSOX-UHFFFAOYSA-N 0 1 388.489 3.314 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CN3CCCC3=O)cs2)cc1 ZINC000740096802 600333918 /nfs/dbraw/zinc/33/39/18/600333918.db2.gz FDZNJVHPENHXPT-GOSISDBHSA-N 0 1 399.516 3.485 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CN3CCCC3=O)cs2)cc1 ZINC000740096802 600333920 /nfs/dbraw/zinc/33/39/20/600333920.db2.gz FDZNJVHPENHXPT-GOSISDBHSA-N 0 1 399.516 3.485 20 0 GGADMN O=C([O-])/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000739628371 600335556 /nfs/dbraw/zinc/33/55/56/600335556.db2.gz ZVPMNKGDVCNJHS-NGWPFTMJSA-N 0 1 380.897 3.021 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000739628374 600335608 /nfs/dbraw/zinc/33/56/08/600335608.db2.gz ZVPMNKGDVCNJHS-XGHPXPSOSA-N 0 1 380.897 3.021 20 0 GGADMN Cc1[nH]c(C(=O)C[NH+]2CCC(CN3CCc4ccccc43)CC2)c(C)c1C(=O)[O-] ZINC000738233274 600337283 /nfs/dbraw/zinc/33/72/83/600337283.db2.gz CJRFVUQZFCCFDB-UHFFFAOYSA-N 0 1 395.503 3.287 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736795134 600341240 /nfs/dbraw/zinc/34/12/40/600341240.db2.gz SDOSOJUNEDCLJI-HNNXBMFYSA-N 0 1 376.501 3.428 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736756834 600341406 /nfs/dbraw/zinc/34/14/06/600341406.db2.gz WFSHRJIIKLGCCM-OWCLPIDISA-N 0 1 376.501 3.284 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000736793709 600343466 /nfs/dbraw/zinc/34/34/66/600343466.db2.gz MKWYNZBYPJGORB-PXNSSMCTSA-N 0 1 399.535 3.315 20 0 GGADMN CN(Cc1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1)C(=O)[O-] ZINC000737479916 600345808 /nfs/dbraw/zinc/34/58/08/600345808.db2.gz BIJHVLKCRHHTNN-UHFFFAOYSA-N 0 1 388.493 3.038 20 0 GGADMN CN(Cc1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1)C(=O)[O-] ZINC000737479916 600345812 /nfs/dbraw/zinc/34/58/12/600345812.db2.gz BIJHVLKCRHHTNN-UHFFFAOYSA-N 0 1 388.493 3.038 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000738773894 600346866 /nfs/dbraw/zinc/34/68/66/600346866.db2.gz ZHAFLHYOQMFZOR-UHFFFAOYSA-N 0 1 396.491 3.455 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736941576 600353295 /nfs/dbraw/zinc/35/32/95/600353295.db2.gz XGGLQDCAJCIUEO-OAHLLOKOSA-N 0 1 376.501 3.476 20 0 GGADMN CC[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736905012 600353372 /nfs/dbraw/zinc/35/33/72/600353372.db2.gz OKDQCRVNTICCFV-HXUWFJFHSA-N 0 1 396.491 3.413 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000736716888 600354946 /nfs/dbraw/zinc/35/49/46/600354946.db2.gz KAOPODKRPHIBFM-HNNXBMFYSA-N 0 1 383.448 3.100 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc(C(=O)[O-])c3)CC2)oc1C ZINC000738854158 600356326 /nfs/dbraw/zinc/35/63/26/600356326.db2.gz GCDSSWYQKRLBCE-UHFFFAOYSA-N 0 1 386.452 3.023 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736938339 600358123 /nfs/dbraw/zinc/35/81/23/600358123.db2.gz HMAJWPKESICYHF-INIZCTEOSA-N 0 1 375.513 3.427 20 0 GGADMN C[NH+](C)Cc1ccccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737371024 600359969 /nfs/dbraw/zinc/35/99/69/600359969.db2.gz WUMYAUJTOMOWSF-UHFFFAOYSA-N 0 1 390.486 3.462 20 0 GGADMN C[NH+](C)[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737359574 600361172 /nfs/dbraw/zinc/36/11/72/600361172.db2.gz BHHBNYIXGZVCTH-GOSISDBHSA-N 0 1 376.840 3.435 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)[O-])n2)c(C)c1 ZINC000738351923 600368841 /nfs/dbraw/zinc/36/88/41/600368841.db2.gz NMRUAPHDDYFFHS-CQSZACIVSA-N 0 1 375.494 3.326 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C)c(C(=O)[O-])s3)cc2F)CC1 ZINC000737117071 600371815 /nfs/dbraw/zinc/37/18/15/600371815.db2.gz UWJKHNXYQIXIEI-UHFFFAOYSA-N 0 1 391.468 3.288 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736572726 600373171 /nfs/dbraw/zinc/37/31/71/600373171.db2.gz QBXHTNUNQXADJV-UONOGXRCSA-N 0 1 376.453 3.098 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125825 600373672 /nfs/dbraw/zinc/37/36/72/600373672.db2.gz COZQVXMOKCKQFE-APWZRJJASA-N 0 1 393.487 3.069 20 0 GGADMN CCN(C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000737053431 600375171 /nfs/dbraw/zinc/37/51/71/600375171.db2.gz OXQQKYXFJLARTB-UHFFFAOYSA-N 0 1 376.403 3.295 20 0 GGADMN CCN(C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000737053431 600375174 /nfs/dbraw/zinc/37/51/74/600375174.db2.gz OXQQKYXFJLARTB-UHFFFAOYSA-N 0 1 376.403 3.295 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000739622243 600377349 /nfs/dbraw/zinc/37/73/49/600377349.db2.gz BCCKWGPCCLNXNQ-QUCCMNQESA-N 0 1 398.890 3.167 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000737866446 600377929 /nfs/dbraw/zinc/37/79/29/600377929.db2.gz MNGQZCACWZKEGV-KRWDZBQOSA-N 0 1 377.481 3.179 20 0 GGADMN Cc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000738381701 600393101 /nfs/dbraw/zinc/39/31/01/600393101.db2.gz CRXSJPSBDXEQBV-CYBMUJFWSA-N 0 1 387.354 3.177 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000738530058 600393797 /nfs/dbraw/zinc/39/37/97/600393797.db2.gz BOZYRNRIZLKDMC-HXUWFJFHSA-N 0 1 382.460 3.004 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000738532818 600393860 /nfs/dbraw/zinc/39/38/60/600393860.db2.gz NRGUYKCKKXWBCN-FQEVSTJZSA-N 0 1 382.460 3.004 20 0 GGADMN CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC000736993016 600395607 /nfs/dbraw/zinc/39/56/07/600395607.db2.gz TWHRWYAVFFDBNY-MRXNPFEDSA-N 0 1 377.529 3.345 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000738525406 600398318 /nfs/dbraw/zinc/39/83/18/600398318.db2.gz LIGFIFYIWSTBAA-KRWDZBQOSA-N 0 1 392.377 3.289 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000739519252 600398453 /nfs/dbraw/zinc/39/84/53/600398453.db2.gz XEDLUNTVAPJJIJ-MRXNPFEDSA-N 0 1 378.881 3.375 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000739519250 600398670 /nfs/dbraw/zinc/39/86/70/600398670.db2.gz XEDLUNTVAPJJIJ-INIZCTEOSA-N 0 1 378.881 3.375 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000739513852 600399750 /nfs/dbraw/zinc/39/97/50/600399750.db2.gz CCLNKNCFZWPFGV-SFHVURJKSA-N 0 1 390.842 3.453 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)Cc1ccccc1 ZINC000737442794 600408673 /nfs/dbraw/zinc/40/86/73/600408673.db2.gz KJCHLWTXGZHVLH-UHFFFAOYSA-N 0 1 393.390 3.240 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737408424 600409099 /nfs/dbraw/zinc/40/90/99/600409099.db2.gz LOCXNYDJYAVSQX-NVXWUHKLSA-N 0 1 383.366 3.203 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737408426 600409162 /nfs/dbraw/zinc/40/91/62/600409162.db2.gz LOCXNYDJYAVSQX-RDJZCZTQSA-N 0 1 383.366 3.203 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC[S@@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000739532096 600410749 /nfs/dbraw/zinc/41/07/49/600410749.db2.gz LKQZYTSVNVNDGA-SFDCACGMSA-N 0 1 376.305 3.288 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000736815754 600422307 /nfs/dbraw/zinc/42/23/07/600422307.db2.gz XDXYFSMDVRUBBB-MRUHUIDDSA-N 0 1 386.467 3.350 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000572158141 600423928 /nfs/dbraw/zinc/42/39/28/600423928.db2.gz CJMXLIVJQMWGHQ-QGZVFWFLSA-N 0 1 392.377 3.408 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000659768650 600426895 /nfs/dbraw/zinc/42/68/95/600426895.db2.gz ZZXXSNNHTKHUPC-OAHLLOKOSA-N 0 1 383.448 3.285 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CCc1scnc1C)CC2 ZINC000583030526 600429015 /nfs/dbraw/zinc/42/90/15/600429015.db2.gz PKNCBKIKLGMUKM-OAHLLOKOSA-N 0 1 376.478 3.085 20 0 GGADMN CCS[C@@H]1CCCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC000737232137 600434919 /nfs/dbraw/zinc/43/49/19/600434919.db2.gz ZKRRBWRJUGNKCV-LLVKDONJSA-N 0 1 381.523 3.099 20 0 GGADMN CCS[C@@H]1CCCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC000737232137 600434921 /nfs/dbraw/zinc/43/49/21/600434921.db2.gz ZKRRBWRJUGNKCV-LLVKDONJSA-N 0 1 381.523 3.099 20 0 GGADMN C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736759318 600439280 /nfs/dbraw/zinc/43/92/80/600439280.db2.gz IGPRZWNOEFZDFG-PKOBYXMFSA-N 0 1 395.503 3.308 20 0 GGADMN Cc1[nH]c(C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154912 600440003 /nfs/dbraw/zinc/44/00/03/600440003.db2.gz WHOVYZVIAJGEBH-KXBFYZLASA-N 0 1 397.519 3.497 20 0 GGADMN C[N@H+](Cc1cccc(C(=O)[O-])c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263490444 600442223 /nfs/dbraw/zinc/44/22/23/600442223.db2.gz QXPWWQGADKCRPP-MRXNPFEDSA-N 0 1 383.366 3.275 20 0 GGADMN Cc1oc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000738967136 600442509 /nfs/dbraw/zinc/44/25/09/600442509.db2.gz PWQHOIPFHRMBHK-CYBMUJFWSA-N 0 1 387.354 3.177 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000738956626 600442745 /nfs/dbraw/zinc/44/27/45/600442745.db2.gz CNKLRXRLNRYYJV-CQSZACIVSA-N 0 1 387.354 3.177 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000738129576 600443068 /nfs/dbraw/zinc/44/30/68/600443068.db2.gz QRHRVSPJIVZBGB-CQSZACIVSA-N 0 1 379.416 3.032 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000738129576 600443069 /nfs/dbraw/zinc/44/30/69/600443069.db2.gz QRHRVSPJIVZBGB-CQSZACIVSA-N 0 1 379.416 3.032 20 0 GGADMN Cc1ccc([C@@H]2CCCCC[N@H+]2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000738581875 600443084 /nfs/dbraw/zinc/44/30/84/600443084.db2.gz FHBXIJOOTFFGMY-BRYHAGSVSA-N 0 1 378.494 3.397 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000736465393 600444828 /nfs/dbraw/zinc/44/48/28/600444828.db2.gz CGDQIYREDFFUPY-UHFFFAOYSA-N 0 1 376.453 3.242 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000736801062 600445281 /nfs/dbraw/zinc/44/52/81/600445281.db2.gz JDVPHCGNPNQJFM-GFCCVEGCSA-N 0 1 376.526 3.126 20 0 GGADMN C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@H]1CCc2ccccc2C1 ZINC000737399496 600448546 /nfs/dbraw/zinc/44/85/46/600448546.db2.gz KZLPKOJFKFGOBC-HNNXBMFYSA-N 0 1 384.501 3.363 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000739285381 600449956 /nfs/dbraw/zinc/44/99/56/600449956.db2.gz GZCOOFBEUOCULB-REWPJTCUSA-N 0 1 395.503 3.102 20 0 GGADMN CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736920728 600453062 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C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@H+](C)Cc1ccccc1 ZINC000736218756 600583336 /nfs/dbraw/zinc/58/33/36/600583336.db2.gz BCBXWCYSELPKQM-LBPRGKRZSA-N 0 1 384.461 3.295 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000736218756 600583338 /nfs/dbraw/zinc/58/33/38/600583338.db2.gz BCBXWCYSELPKQM-LBPRGKRZSA-N 0 1 384.461 3.295 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000738895188 600599861 /nfs/dbraw/zinc/59/98/61/600599861.db2.gz UKDWVHFFTCCWPF-LJQANCHMSA-N 0 1 379.460 3.185 20 0 GGADMN CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736880113 600623135 /nfs/dbraw/zinc/62/31/35/600623135.db2.gz LFIBIEDHEVSCER-RYGJVYDSSA-N 0 1 385.508 3.180 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)nc(=O)c12 ZINC000738288391 600630578 /nfs/dbraw/zinc/63/05/78/600630578.db2.gz CBCOKOXYWURVJW-FZMZJTMJSA-N 0 1 383.473 3.369 20 0 GGADMN 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Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000832854951 600690209 /nfs/dbraw/zinc/69/02/09/600690209.db2.gz YSJSRGCNDCRTDU-HNNXBMFYSA-N 0 1 399.466 3.372 20 0 GGADMN Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000738287823 600706212 /nfs/dbraw/zinc/70/62/12/600706212.db2.gz GFFFTOKWMBUMRY-CQSZACIVSA-N 0 1 376.888 3.097 20 0 GGADMN O=C([O-])c1cc(N[C@H]2CCc3[nH+]ccn3C2)c2cc(Br)ccc2n1 ZINC000740089436 600707728 /nfs/dbraw/zinc/70/77/28/600707728.db2.gz VXHHFSMGUUIAHX-NSHDSACASA-N 0 1 387.237 3.319 20 0 GGADMN CC(C)OCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC000736799928 600716388 /nfs/dbraw/zinc/71/63/88/600716388.db2.gz AQUGMCHQBIDKNC-ZDUSSCGKSA-N 0 1 382.526 3.257 20 0 GGADMN CC(C)OCCC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC000736799928 600716389 /nfs/dbraw/zinc/71/63/89/600716389.db2.gz AQUGMCHQBIDKNC-ZDUSSCGKSA-N 0 1 382.526 3.257 20 0 GGADMN CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C1CCOCC1 ZINC000736454972 600716781 /nfs/dbraw/zinc/71/67/81/600716781.db2.gz MSTYCRQWBQOZGN-UHFFFAOYSA-N 0 1 380.510 3.153 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000263566188 600716934 /nfs/dbraw/zinc/71/69/34/600716934.db2.gz FZGORGLNEMEUAS-IBGZPJMESA-N 0 1 380.444 3.313 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737020886 600717055 /nfs/dbraw/zinc/71/70/55/600717055.db2.gz MZLBQMNMHGSHCY-ZTFGCOKTSA-N 0 1 385.464 3.059 20 0 GGADMN C[C@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC[N@H+]1Cc1ccccc1 ZINC000828295374 600719603 /nfs/dbraw/zinc/71/96/03/600719603.db2.gz DQVARJFEWBSKOR-KRWDZBQOSA-N 0 1 378.476 3.288 20 0 GGADMN CCn1c(-c2ccccc2)nn(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000830403362 600719644 /nfs/dbraw/zinc/71/96/44/600719644.db2.gz PEWNZMFSLNSGCV-UHFFFAOYSA-N 0 1 390.509 3.014 20 0 GGADMN CCn1c(-c2ccccc2)nn(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000830403362 600719647 /nfs/dbraw/zinc/71/96/47/600719647.db2.gz PEWNZMFSLNSGCV-UHFFFAOYSA-N 0 1 390.509 3.014 20 0 GGADMN CO[C@@H](C)C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C(C)C ZINC000737736471 600720788 /nfs/dbraw/zinc/72/07/88/600720788.db2.gz ZPVDIUDIOOHJPR-JTQLQIEISA-N 0 1 377.268 3.375 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737166521 600721188 /nfs/dbraw/zinc/72/11/88/600721188.db2.gz XZPGFJSQJRPYRR-ZWKOTPCHSA-N 0 1 389.496 3.062 20 0 GGADMN Cc1sc(NC(=O)COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c(C(=O)[O-])c1C ZINC000738997629 600736274 /nfs/dbraw/zinc/73/62/74/600736274.db2.gz RQEPMQKZJYHKPM-INIZCTEOSA-N 0 1 396.509 3.055 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3F)cc2)C[C@H](C)O1 ZINC000828455779 600736849 /nfs/dbraw/zinc/73/68/49/600736849.db2.gz GQBFHSIQBSCHSU-MRUHUIDDSA-N 0 1 386.467 3.350 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccccc3F)cc2)C[C@@H](C)O1 ZINC000828455782 600736874 /nfs/dbraw/zinc/73/68/74/600736874.db2.gz GQBFHSIQBSCHSU-WHSLLNHNSA-N 0 1 386.467 3.350 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000832716376 600738523 /nfs/dbraw/zinc/73/85/23/600738523.db2.gz KFWNUBOZANEUAA-OAHLLOKOSA-N 0 1 388.272 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736815532 600743970 /nfs/dbraw/zinc/74/39/70/600743970.db2.gz SBTQVKDJVJHGMY-KRWDZBQOSA-N 0 1 397.475 3.278 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000830852633 600752410 /nfs/dbraw/zinc/75/24/10/600752410.db2.gz RQLHRKDZGUVXLO-HXUWFJFHSA-N 0 1 396.491 3.235 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000830928750 600754447 /nfs/dbraw/zinc/75/44/47/600754447.db2.gz PVIDAVWKUUFVPT-MAUKXSAKSA-N 0 1 379.526 3.027 20 0 GGADMN CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2)CC1 ZINC000830954968 600775665 /nfs/dbraw/zinc/77/56/65/600775665.db2.gz UNMUTSSLDKKJSV-UHFFFAOYSA-N 0 1 395.503 3.049 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000829688330 600790676 /nfs/dbraw/zinc/79/06/76/600790676.db2.gz ZORBMKJPAUNPOZ-RTBURBONSA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)CCOC1CC[NH+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000826855458 600794024 /nfs/dbraw/zinc/79/40/24/600794024.db2.gz PBPKWYBDUXRUCG-INIZCTEOSA-N 0 1 380.510 3.079 20 0 GGADMN COc1ccc([C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)cc1 ZINC000832274125 600794510 /nfs/dbraw/zinc/79/45/10/600794510.db2.gz VMECVUBFROGWEW-PBHICJAKSA-N 0 1 386.473 3.050 20 0 GGADMN Cc1ccc(N2CCC[N@@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)cc1 ZINC000832941132 600794571 /nfs/dbraw/zinc/79/45/71/600794571.db2.gz ZRYNMLLFVOCIDN-SFHVURJKSA-N 0 1 399.516 3.072 20 0 GGADMN Cc1ccc(N2CCC[N@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)cc1 ZINC000832941132 600794572 /nfs/dbraw/zinc/79/45/72/600794572.db2.gz ZRYNMLLFVOCIDN-SFHVURJKSA-N 0 1 399.516 3.072 20 0 GGADMN COc1ccc([C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)cc1 ZINC000832274134 600794576 /nfs/dbraw/zinc/79/45/76/600794576.db2.gz VMECVUBFROGWEW-WMLDXEAASA-N 0 1 386.473 3.050 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)C1=O ZINC000833336236 600798585 /nfs/dbraw/zinc/79/85/85/600798585.db2.gz NPXZDYQYEIXTPJ-WBVHZDCISA-N 0 1 386.473 3.095 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C1=O ZINC000833336236 600798586 /nfs/dbraw/zinc/79/85/86/600798586.db2.gz NPXZDYQYEIXTPJ-WBVHZDCISA-N 0 1 386.473 3.095 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000830792563 600801113 /nfs/dbraw/zinc/80/11/13/600801113.db2.gz VHTWCUMRRYVQDO-CQSZACIVSA-N 0 1 398.887 3.358 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736648524 600809060 /nfs/dbraw/zinc/80/90/60/600809060.db2.gz FXDUCSFVNNQVRW-DNVCBOLYSA-N 0 1 398.463 3.188 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736648524 600809061 /nfs/dbraw/zinc/80/90/61/600809061.db2.gz FXDUCSFVNNQVRW-DNVCBOLYSA-N 0 1 398.463 3.188 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000832916769 600811150 /nfs/dbraw/zinc/81/11/50/600811150.db2.gz PGWKYGGNONNWKJ-QGZVFWFLSA-N 0 1 396.491 3.025 20 0 GGADMN O=C([O-])c1ccc(OCCN2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000833321498 600817723 /nfs/dbraw/zinc/81/77/23/600817723.db2.gz VOLAMPKAHCXBAD-UHFFFAOYSA-N 0 1 380.897 3.296 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000829873904 600818919 /nfs/dbraw/zinc/81/89/19/600818919.db2.gz VZFBHAIUXGYQEC-GFCCVEGCSA-N 0 1 396.509 3.001 20 0 GGADMN C[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830777118 600818989 /nfs/dbraw/zinc/81/89/89/600818989.db2.gz POOPNJUJVNWXQL-INIZCTEOSA-N 0 1 392.452 3.092 20 0 GGADMN Cc1nccc([C@@H]2CCC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000833009691 600819811 /nfs/dbraw/zinc/81/98/11/600819811.db2.gz OXWYSAMOXCSFBO-OAHLLOKOSA-N 0 1 375.856 3.395 20 0 GGADMN COc1ccc(C2CC[NH+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)CC2)cc1 ZINC000832273100 600823857 /nfs/dbraw/zinc/82/38/57/600823857.db2.gz NBFIWPRMOCRYHN-UHFFFAOYSA-N 0 1 393.443 3.422 20 0 GGADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000820426559 607470637 /nfs/dbraw/zinc/47/06/37/607470637.db2.gz LPZOYORHXDMKLU-GFCCVEGCSA-N 0 1 380.427 3.205 20 0 GGADMN Cc1nc(C[C@H]2CCC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)no1 ZINC000832999665 600826059 /nfs/dbraw/zinc/82/60/59/600826059.db2.gz YIYUTJZUUKWCRO-CYBMUJFWSA-N 0 1 379.844 3.063 20 0 GGADMN Cc1csc(N2CC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C[C@@H]2C)n1 ZINC000832989221 600826111 /nfs/dbraw/zinc/82/61/11/600826111.db2.gz FQYKAHDJRIBSTB-ZDUSSCGKSA-N 0 1 395.912 3.393 20 0 GGADMN Cc1csc(N2CC[N@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C[C@@H]2C)n1 ZINC000832989221 600826112 /nfs/dbraw/zinc/82/61/12/600826112.db2.gz FQYKAHDJRIBSTB-ZDUSSCGKSA-N 0 1 395.912 3.393 20 0 GGADMN O=C([O-])c1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)cc1 ZINC000833313648 600826535 /nfs/dbraw/zinc/82/65/35/600826535.db2.gz DMZJRFPECACJRC-UHFFFAOYSA-N 0 1 377.444 3.358 20 0 GGADMN CCn1cnnc1C1CC[NH+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000830434559 600827840 /nfs/dbraw/zinc/82/78/40/600827840.db2.gz FRSZFWZHURUTRA-UHFFFAOYSA-N 0 1 397.504 3.499 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3CN3CCCC3=O)cs2)c1 ZINC000833326260 600829619 /nfs/dbraw/zinc/82/96/19/600829619.db2.gz LGFSKJXAIFJPKN-SFHVURJKSA-N 0 1 399.516 3.485 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3CN3CCCC3=O)cs2)c1 ZINC000833326260 600829623 /nfs/dbraw/zinc/82/96/23/600829623.db2.gz LGFSKJXAIFJPKN-SFHVURJKSA-N 0 1 399.516 3.485 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000831730065 600829888 /nfs/dbraw/zinc/82/98/88/600829888.db2.gz RVMQMOFTROJGOL-UHFFFAOYSA-N 0 1 383.242 3.027 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000831730065 600829891 /nfs/dbraw/zinc/82/98/91/600829891.db2.gz RVMQMOFTROJGOL-UHFFFAOYSA-N 0 1 383.242 3.027 20 0 GGADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000830643600 600835481 /nfs/dbraw/zinc/83/54/81/600835481.db2.gz MFCMTCRMUSSWJV-IBGZPJMESA-N 0 1 381.476 3.251 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C(=O)[O-])cc2)c1 ZINC000830644203 600835533 /nfs/dbraw/zinc/83/55/33/600835533.db2.gz VDAXXODXAKYKLT-PZJWPPBQSA-N 0 1 384.476 3.028 20 0 GGADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000828200617 600835552 /nfs/dbraw/zinc/83/55/52/600835552.db2.gz HZRFGDMPFSBNIN-ASKNOMKYSA-N 0 1 383.492 3.374 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)[C@H](C)CO2)c1 ZINC000569463304 600835597 /nfs/dbraw/zinc/83/55/97/600835597.db2.gz NHRYMHCKYFPBQP-JUXOCIIHSA-N 0 1 399.487 3.203 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)[C@H](C)CO2)c1 ZINC000569463304 600835598 /nfs/dbraw/zinc/83/55/98/600835598.db2.gz NHRYMHCKYFPBQP-JUXOCIIHSA-N 0 1 399.487 3.203 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000830643601 600835620 /nfs/dbraw/zinc/83/56/20/600835620.db2.gz MFCMTCRMUSSWJV-LJQANCHMSA-N 0 1 381.476 3.251 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000828185536 600836676 /nfs/dbraw/zinc/83/66/76/600836676.db2.gz XUGGLGFPWKNWTO-GQWLDOHISA-N 0 1 396.462 3.247 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263577829 600842265 /nfs/dbraw/zinc/84/22/65/600842265.db2.gz RXWYCHGSRZSIQQ-PXNSSMCTSA-N 0 1 382.460 3.480 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000164663904 600842336 /nfs/dbraw/zinc/84/23/36/600842336.db2.gz GFRZGMJSOUWAOM-FQEVSTJZSA-N 0 1 380.488 3.121 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339528 600845212 /nfs/dbraw/zinc/84/52/12/600845212.db2.gz IXHWGNCXFHGHQY-RXVVDRJESA-N 0 1 384.451 3.170 20 0 GGADMN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000263489760 600846768 /nfs/dbraw/zinc/84/67/68/600846768.db2.gz QTPSCLQDTBZIGX-HNNXBMFYSA-N 0 1 386.879 3.314 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000263489760 600846769 /nfs/dbraw/zinc/84/67/69/600846769.db2.gz QTPSCLQDTBZIGX-HNNXBMFYSA-N 0 1 386.879 3.314 20 0 GGADMN CN(C[C@@H]1CCC[N@H+]1CCOc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000830718817 600850470 /nfs/dbraw/zinc/85/04/70/600850470.db2.gz ZITXZFGLHFAKKX-INIZCTEOSA-N 0 1 378.469 3.095 20 0 GGADMN CC[N@@H+](CCOc1cccc(C(=O)[O-])c1)CC1CCN(c2ccccn2)CC1 ZINC000829713945 600852384 /nfs/dbraw/zinc/85/23/84/600852384.db2.gz SWSLCBORPBLIPI-UHFFFAOYSA-N 0 1 383.492 3.397 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)[O-])C2CCOCC2)cc1SC(F)(F)F ZINC000832314258 600853326 /nfs/dbraw/zinc/85/33/26/600853326.db2.gz GKLTZQXURHOUPC-UHFFFAOYSA-N 0 1 379.400 3.373 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CCOCC1 ZINC000582549108 600854523 /nfs/dbraw/zinc/85/45/23/600854523.db2.gz LPQVDBMIWTWFBN-UHFFFAOYSA-N 0 1 380.529 3.046 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CCOCC1 ZINC000582549108 600854525 /nfs/dbraw/zinc/85/45/25/600854525.db2.gz LPQVDBMIWTWFBN-UHFFFAOYSA-N 0 1 380.529 3.046 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1csc(COc2ccc(F)cc2)n1)C1CCOCC1 ZINC000566222392 600859058 /nfs/dbraw/zinc/85/90/58/600859058.db2.gz WTWMJOABACIXDH-UHFFFAOYSA-N 0 1 394.468 3.317 20 0 GGADMN O=C([O-])CC[N@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CCOCC1 ZINC000833232190 600860617 /nfs/dbraw/zinc/86/06/17/600860617.db2.gz UXUATQNVEDNMGA-SFHVURJKSA-N 0 1 396.487 3.111 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)[C@H]1c1cccs1 ZINC000659758893 600866410 /nfs/dbraw/zinc/86/64/10/600866410.db2.gz JRDQHQJRQGDFDG-KXBFYZLASA-N 0 1 388.489 3.024 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)[C@H]1c1cccs1 ZINC000659758849 600866510 /nfs/dbraw/zinc/86/65/10/600866510.db2.gz JRDQHQJRQGDFDG-BEFAXECRSA-N 0 1 388.489 3.024 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000737242325 600866578 /nfs/dbraw/zinc/86/65/78/600866578.db2.gz SSWGFZMAGYLHIM-FZKQIMNGSA-N 0 1 389.521 3.458 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OCC(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000659758850 600866653 /nfs/dbraw/zinc/86/66/53/600866653.db2.gz JRDQHQJRQGDFDG-DNVCBOLYSA-N 0 1 388.489 3.024 20 0 GGADMN CS[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000826227447 607475576 /nfs/dbraw/zinc/47/55/76/607475576.db2.gz RAXNWTNTYLSATH-WCQYABFASA-N 0 1 394.932 3.065 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000833263644 600931423 /nfs/dbraw/zinc/93/14/23/600931423.db2.gz PLWQMUSZSOUIRL-GOSISDBHSA-N 0 1 385.489 3.003 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000833263644 600931426 /nfs/dbraw/zinc/93/14/26/600931426.db2.gz PLWQMUSZSOUIRL-GOSISDBHSA-N 0 1 385.489 3.003 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000831264842 600947302 /nfs/dbraw/zinc/94/73/02/600947302.db2.gz QRSVCOZWSLKJBH-INIZCTEOSA-N 0 1 396.443 3.022 20 0 GGADMN Cc1nc(C)c(C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)s1 ZINC000738848477 600949298 /nfs/dbraw/zinc/94/92/98/600949298.db2.gz VSNDSIAYUUHQKI-QGZVFWFLSA-N 0 1 379.913 3.357 20 0 GGADMN CC[C@@]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000736917061 600953383 /nfs/dbraw/zinc/95/33/83/600953383.db2.gz KSTGWZLOTHLQPM-QFIPXVFZSA-N 0 1 398.507 3.382 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000739720301 600953842 /nfs/dbraw/zinc/95/38/42/600953842.db2.gz QZCNDAPVCUEOEY-INIZCTEOSA-N 0 1 390.386 3.267 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)o1 ZINC000833108020 600954361 /nfs/dbraw/zinc/95/43/61/600954361.db2.gz XOVYYESBTBYICR-UHFFFAOYSA-N 0 1 378.428 3.296 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000833182652 600954588 /nfs/dbraw/zinc/95/45/88/600954588.db2.gz CRJJEGCVBQUGPG-UXLLHSPISA-N 0 1 398.425 3.287 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])Cc1ncc(-c2ccccc2Br)o1 ZINC000737795937 600954724 /nfs/dbraw/zinc/95/47/24/600954724.db2.gz XUZFFDSLWQCPPD-UHFFFAOYSA-N 0 1 383.242 3.027 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1ncc(-c2ccccc2Br)o1 ZINC000737795937 600954725 /nfs/dbraw/zinc/95/47/25/600954725.db2.gz XUZFFDSLWQCPPD-UHFFFAOYSA-N 0 1 383.242 3.027 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000830718825 600955040 /nfs/dbraw/zinc/95/50/40/600955040.db2.gz ZMLPHDCOCZKHOR-FQEVSTJZSA-N 0 1 380.488 3.298 20 0 GGADMN Cc1[nH]c(C(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(C)c1C(=O)[O-] ZINC000738153948 600956536 /nfs/dbraw/zinc/95/65/36/600956536.db2.gz PKBBHFVSNFATJQ-UHFFFAOYSA-N 0 1 380.448 3.268 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000738233255 600957489 /nfs/dbraw/zinc/95/74/89/600957489.db2.gz AVMHGUMLCSVIMT-QGZVFWFLSA-N 0 1 390.455 3.343 20 0 GGADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC000737280179 600965772 /nfs/dbraw/zinc/96/57/72/600965772.db2.gz CUNKHWUGXVKWTH-UKRRQHHQSA-N 0 1 378.494 3.145 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000737452019 600966128 /nfs/dbraw/zinc/96/61/28/600966128.db2.gz VEHGHWABESSPLS-UHFFFAOYSA-N 0 1 383.322 3.486 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1C(=O)[O-])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000737452019 600966131 /nfs/dbraw/zinc/96/61/31/600966131.db2.gz VEHGHWABESSPLS-UHFFFAOYSA-N 0 1 383.322 3.486 20 0 GGADMN C[C@H]1C[C@@H](N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC[N@H+]1C ZINC000736762622 600967230 /nfs/dbraw/zinc/96/72/30/600967230.db2.gz RNUPVYFVJCRVEG-JQWIXIFHSA-N 0 1 388.295 3.045 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000738293107 600967301 /nfs/dbraw/zinc/96/73/01/600967301.db2.gz XFFDKUKSLMPUTB-CQSZACIVSA-N 0 1 383.473 3.056 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000738293107 600967305 /nfs/dbraw/zinc/96/73/05/600967305.db2.gz XFFDKUKSLMPUTB-CQSZACIVSA-N 0 1 383.473 3.056 20 0 GGADMN CCc1ccc([C@H]2CCCC[N@H+]2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000737259320 600969317 /nfs/dbraw/zinc/96/93/17/600969317.db2.gz OLHLNVOWNHVODL-PWDRBQJJSA-N 0 1 378.494 3.261 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@H+]2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000737259317 600969347 /nfs/dbraw/zinc/96/93/47/600969347.db2.gz OLHLNVOWNHVODL-BRYHAGSVSA-N 0 1 378.494 3.261 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)cc1 ZINC000737983526 600969845 /nfs/dbraw/zinc/96/98/45/600969845.db2.gz BGYIWBXFJWNORO-KRWDZBQOSA-N 0 1 384.476 3.476 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000737983505 600969854 /nfs/dbraw/zinc/96/98/54/600969854.db2.gz AXSLPSKQVZFUJP-ICSRJNTNSA-N 0 1 399.487 3.088 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000737984922 600970597 /nfs/dbraw/zinc/97/05/97/600970597.db2.gz PRABHUPPUKODRU-KRWDZBQOSA-N 0 1 382.460 3.287 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736880022 600973661 /nfs/dbraw/zinc/97/36/61/600973661.db2.gz SVZRUZUKKKQONR-GRDNDAEWSA-N 0 1 381.542 3.061 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736880022 600973663 /nfs/dbraw/zinc/97/36/63/600973663.db2.gz SVZRUZUKKKQONR-GRDNDAEWSA-N 0 1 381.542 3.061 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736880025 600973720 /nfs/dbraw/zinc/97/37/20/600973720.db2.gz SVZRUZUKKKQONR-ZQIUZPCESA-N 0 1 381.542 3.061 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736880025 600973722 /nfs/dbraw/zinc/97/37/22/600973722.db2.gz SVZRUZUKKKQONR-ZQIUZPCESA-N 0 1 381.542 3.061 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccsc2C(=O)[O-])C12CCCCC2 ZINC000737165575 600973763 /nfs/dbraw/zinc/97/37/63/600973763.db2.gz RULBXLPIYQFZMG-HUUCEWRRSA-N 0 1 380.510 3.445 20 0 GGADMN CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000737258471 600977971 /nfs/dbraw/zinc/97/79/71/600977971.db2.gz DSFKDRJDDMJADI-WOJBJXKFSA-N 0 1 396.487 3.407 20 0 GGADMN CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000737258471 600977974 /nfs/dbraw/zinc/97/79/74/600977974.db2.gz DSFKDRJDDMJADI-WOJBJXKFSA-N 0 1 396.487 3.407 20 0 GGADMN O=C(C[C@@H]1CCCN1Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(F)cc1 ZINC000826404497 607478558 /nfs/dbraw/zinc/47/85/58/607478558.db2.gz CDIPGIMUAYGGFL-KRWDZBQOSA-N 0 1 383.402 3.382 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000737258470 600978419 /nfs/dbraw/zinc/97/84/19/600978419.db2.gz DSFKDRJDDMJADI-VQTJNVASSA-N 0 1 396.487 3.407 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000737258470 600978420 /nfs/dbraw/zinc/97/84/20/600978420.db2.gz DSFKDRJDDMJADI-VQTJNVASSA-N 0 1 396.487 3.407 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000737863416 600978755 /nfs/dbraw/zinc/97/87/55/600978755.db2.gz ODWLTHIWLUTZJV-IRXDYDNUSA-N 0 1 389.448 3.262 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000738582567 600979052 /nfs/dbraw/zinc/97/90/52/600979052.db2.gz KYUJIMFYXFKIKT-OALUTQOASA-N 0 1 382.460 3.153 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000738582567 600979055 /nfs/dbraw/zinc/97/90/55/600979055.db2.gz KYUJIMFYXFKIKT-OALUTQOASA-N 0 1 382.460 3.153 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000738698525 600979344 /nfs/dbraw/zinc/97/93/44/600979344.db2.gz MRURPUTUISTEQD-YADHBBJMSA-N 0 1 392.499 3.478 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])C12CCCCC2 ZINC000737158868 600979883 /nfs/dbraw/zinc/97/98/83/600979883.db2.gz UJLCQASVDSFLPF-RTBURBONSA-N 0 1 388.508 3.407 20 0 GGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000829275644 600988732 /nfs/dbraw/zinc/98/87/32/600988732.db2.gz FESZGRHWHPRUTQ-GXTWGEPZSA-N 0 1 398.301 3.138 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833159536 600989186 /nfs/dbraw/zinc/98/91/86/600989186.db2.gz SVGVNSLMYHUFMG-SJKOYZFVSA-N 0 1 391.830 3.351 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833159538 600989222 /nfs/dbraw/zinc/98/92/22/600989222.db2.gz SVGVNSLMYHUFMG-YVEFUNNKSA-N 0 1 391.830 3.351 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000833141665 600989268 /nfs/dbraw/zinc/98/92/68/600989268.db2.gz XPKBAUVCPZRQPU-MLGOLLRUSA-N 0 1 385.291 3.357 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](CCC(=O)[O-])CC(C)C ZINC000832909224 600992245 /nfs/dbraw/zinc/99/22/45/600992245.db2.gz LVOGGGZACBJOEE-UHFFFAOYSA-N 0 1 386.496 3.169 20 0 GGADMN CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830499939 600996706 /nfs/dbraw/zinc/99/67/06/600996706.db2.gz GSSLBYHXOSHKOC-OAQYLSRUSA-N 0 1 395.503 3.233 20 0 GGADMN CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830499930 600996754 /nfs/dbraw/zinc/99/67/54/600996754.db2.gz GSSLBYHXOSHKOC-NRFANRHFSA-N 0 1 395.503 3.233 20 0 GGADMN CCOCC[N@H+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000830012323 601000105 /nfs/dbraw/zinc/00/01/05/601000105.db2.gz YKEDNFPGZRHWRL-BLLLJJGKSA-N 0 1 375.296 3.162 20 0 GGADMN Cn1cc(C[N@@H+]2CCCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000833046388 601000762 /nfs/dbraw/zinc/00/07/62/601000762.db2.gz OWTWHWPQGDDMEY-KRWDZBQOSA-N 0 1 397.306 3.061 20 0 GGADMN Cn1cc(C[N@H+]2CCCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)cn1 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QTKLEIPQJKOSHS-INIZCTEOSA-N 0 1 398.459 3.123 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000826800930 601106204 /nfs/dbraw/zinc/10/62/04/601106204.db2.gz RNMAPQZWONNOGN-YJBOKZPZSA-N 0 1 377.485 3.028 20 0 GGADMN CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1S[C@@H](C)C(=O)[O-])CC2 ZINC000827915569 601107316 /nfs/dbraw/zinc/10/73/16/601107316.db2.gz OWIQBEXPIFVJDE-XHSDSOJGSA-N 0 1 376.522 3.339 20 0 GGADMN CCc1[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830184018 601108623 /nfs/dbraw/zinc/10/86/23/601108623.db2.gz QJZPQJVBGDDNCY-HNNXBMFYSA-N 0 1 383.492 3.320 20 0 GGADMN C[C@H]1CC[N@@H+](CCNC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000828289728 601112382 /nfs/dbraw/zinc/11/23/82/601112382.db2.gz LSIUOMUYHYMWNW-AWEZNQCLSA-N 0 1 388.489 3.342 20 0 GGADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000830791426 601113789 /nfs/dbraw/zinc/11/37/89/601113789.db2.gz BDHAZEXORDENOE-UHFFFAOYSA-N 0 1 378.469 3.095 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000736130476 601114360 /nfs/dbraw/zinc/11/43/60/601114360.db2.gz KZZVIXVHWFPBOY-HNNXBMFYSA-N 0 1 389.452 3.021 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000736130476 601114362 /nfs/dbraw/zinc/11/43/62/601114362.db2.gz KZZVIXVHWFPBOY-HNNXBMFYSA-N 0 1 389.452 3.021 20 0 GGADMN CC[C@H]1C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@@H]1c1ccccc1 ZINC000829151891 601114702 /nfs/dbraw/zinc/11/47/02/601114702.db2.gz UEWVVXOAFWWIOQ-YOEHRIQHSA-N 0 1 387.505 3.224 20 0 GGADMN CC[C@H]1C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@@H]1c1ccccc1 ZINC000829151891 601114704 /nfs/dbraw/zinc/11/47/04/601114704.db2.gz UEWVVXOAFWWIOQ-YOEHRIQHSA-N 0 1 387.505 3.224 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000736131858 601114813 /nfs/dbraw/zinc/11/48/13/601114813.db2.gz YKZQJVMGLHBSHH-OAHLLOKOSA-N 0 1 389.452 3.021 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000736131858 601114815 /nfs/dbraw/zinc/11/48/15/601114815.db2.gz YKZQJVMGLHBSHH-OAHLLOKOSA-N 0 1 389.452 3.021 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000832916747 601116244 /nfs/dbraw/zinc/11/62/44/601116244.db2.gz RHFHTTZMNYVVMV-FQEVSTJZSA-N 0 1 395.503 3.228 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](Cc4ccccc4)[C@H]3C)nc(=O)c12 ZINC000832852594 601120313 /nfs/dbraw/zinc/12/03/13/601120313.db2.gz BJNAAQHCPBYINT-UKRRQHHQSA-N 0 1 397.500 3.444 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](Cc4ccccc4)[C@H]3C)nc(=O)c12 ZINC000832852594 601120314 /nfs/dbraw/zinc/12/03/14/601120314.db2.gz BJNAAQHCPBYINT-UKRRQHHQSA-N 0 1 397.500 3.444 20 0 GGADMN CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC000737054017 601125236 /nfs/dbraw/zinc/12/52/36/601125236.db2.gz XYRPKIIHGAVRBM-CQSZACIVSA-N 0 1 391.468 3.246 20 0 GGADMN C[C@@H]1CN(Cc2cccc(NCc3ccc(-c4nn[nH]n4)cc3F)c2)C[C@H](C)O1 ZINC000820759935 607489811 /nfs/dbraw/zinc/48/98/11/607489811.db2.gz ODNWTGMULLLZRW-GASCZTMLSA-N 0 1 396.470 3.227 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)cc1 ZINC000832315425 601143459 /nfs/dbraw/zinc/14/34/59/601143459.db2.gz YXDGDRTUKSBYFE-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000827915547 601147254 /nfs/dbraw/zinc/14/72/54/601147254.db2.gz ODGUDXTZMGFNSY-CQSZACIVSA-N 0 1 390.480 3.253 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514248 601149401 /nfs/dbraw/zinc/14/94/01/601149401.db2.gz DWDAOGWASWVLTE-NJAFHUGGSA-N 0 1 399.516 3.291 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514247 601149577 /nfs/dbraw/zinc/14/95/77/601149577.db2.gz DWDAOGWASWVLTE-JQHSSLGASA-N 0 1 399.516 3.291 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cs2)c1 ZINC000832926688 601151579 /nfs/dbraw/zinc/15/15/79/601151579.db2.gz ZZUQNPVFJJAGHJ-CQSZACIVSA-N 0 1 375.494 3.094 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cs2)c1 ZINC000832926688 601151580 /nfs/dbraw/zinc/15/15/80/601151580.db2.gz ZZUQNPVFJJAGHJ-CQSZACIVSA-N 0 1 375.494 3.094 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000832914499 601156329 /nfs/dbraw/zinc/15/63/29/601156329.db2.gz CUZVWYGSSCOBMB-RDJZCZTQSA-N 0 1 388.489 3.281 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000832914499 601156330 /nfs/dbraw/zinc/15/63/30/601156330.db2.gz CUZVWYGSSCOBMB-RDJZCZTQSA-N 0 1 388.489 3.281 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000832914503 601156674 /nfs/dbraw/zinc/15/66/74/601156674.db2.gz CUZVWYGSSCOBMB-WBVHZDCISA-N 0 1 388.489 3.281 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000832914503 601156677 /nfs/dbraw/zinc/15/66/77/601156677.db2.gz CUZVWYGSSCOBMB-WBVHZDCISA-N 0 1 388.489 3.281 20 0 GGADMN C[C@H]1C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828167530 601161003 /nfs/dbraw/zinc/16/10/03/601161003.db2.gz HRGDYHGXSRBHRA-LAUBAEHRSA-N 0 1 380.488 3.487 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828167532 601161145 /nfs/dbraw/zinc/16/11/45/601161145.db2.gz HRGDYHGXSRBHRA-UWJYYQICSA-N 0 1 380.488 3.487 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000830907676 601169604 /nfs/dbraw/zinc/16/96/04/601169604.db2.gz OTUSAVRFHRDGJL-PXNSSMCTSA-N 0 1 377.444 3.168 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000830907676 601169606 /nfs/dbraw/zinc/16/96/06/601169606.db2.gz OTUSAVRFHRDGJL-PXNSSMCTSA-N 0 1 377.444 3.168 20 0 GGADMN C/C(=C\C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)C(=O)[O-] ZINC000825746911 601170970 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CC(=O)N(c1nc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000825823318 601513638 /nfs/dbraw/zinc/51/36/38/601513638.db2.gz OGZIUCGMMFUXBD-BDJLRTHQSA-N 0 1 377.441 3.119 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)cs2)c1 ZINC000832926592 601513844 /nfs/dbraw/zinc/51/38/44/601513844.db2.gz UYCFMMPKCQGTRJ-GDBMZVCRSA-N 0 1 387.505 3.094 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000263093634 601519593 /nfs/dbraw/zinc/51/95/93/601519593.db2.gz ALWXZXFVTCGIFD-LXGCGDOSSA-N 0 1 386.879 3.198 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1OC ZINC000263376695 601523415 /nfs/dbraw/zinc/52/34/15/601523415.db2.gz WRYKANOVYPRANX-IUODEOHRSA-N 0 1 376.478 3.370 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)nc1-c1ccc(Cl)cc1 ZINC000833034038 601526524 /nfs/dbraw/zinc/52/65/24/601526524.db2.gz MIWCKDQXYCHSCD-IINYFYTJSA-N 0 1 393.896 3.363 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000828442207 601526953 /nfs/dbraw/zinc/52/69/53/601526953.db2.gz YJQHFIPCBOQGTL-UFBFGSQYSA-N 0 1 398.303 3.315 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828441827 601529609 /nfs/dbraw/zinc/52/96/09/601529609.db2.gz UAFSPZVSHCUXMX-QAPCUYQASA-N 0 1 396.491 3.121 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421442 601529852 /nfs/dbraw/zinc/52/98/52/601529852.db2.gz FSORZJDXVRJCOV-IIAWOOMASA-N 0 1 388.464 3.098 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422728 601533752 /nfs/dbraw/zinc/53/37/52/601533752.db2.gz JBOYREHHUQQPQR-FXPVBKGRSA-N 0 1 378.778 3.338 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422731 601533952 /nfs/dbraw/zinc/53/39/52/601533952.db2.gz JBOYREHHUQQPQR-KKZNHRDASA-N 0 1 378.778 3.338 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863211 601535932 /nfs/dbraw/zinc/53/59/32/601535932.db2.gz LFEAIQHBHHHONM-FXAWDEMLSA-N 0 1 396.487 3.332 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000833179478 601540288 /nfs/dbraw/zinc/54/02/88/601540288.db2.gz NSKYAAQYPLWZGX-PMPSAXMXSA-N 0 1 390.446 3.143 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000832873703 601540341 /nfs/dbraw/zinc/54/03/41/601540341.db2.gz LMNXWGUCJUHHBJ-HUUCEWRRSA-N 0 1 387.505 3.326 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000832873703 601540343 /nfs/dbraw/zinc/54/03/43/601540343.db2.gz LMNXWGUCJUHHBJ-HUUCEWRRSA-N 0 1 387.505 3.326 20 0 GGADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000833091512 601540383 /nfs/dbraw/zinc/54/03/83/601540383.db2.gz RSNSKSGYSDFDBT-KDOFPFPSSA-N 0 1 377.460 3.092 20 0 GGADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000833091516 601540537 /nfs/dbraw/zinc/54/05/37/601540537.db2.gz RSNSKSGYSDFDBT-RDTXWAMCSA-N 0 1 377.460 3.092 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000832873702 601540577 /nfs/dbraw/zinc/54/05/77/601540577.db2.gz LMNXWGUCJUHHBJ-GJZGRUSLSA-N 0 1 387.505 3.326 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000832873702 601540580 /nfs/dbraw/zinc/54/05/80/601540580.db2.gz LMNXWGUCJUHHBJ-GJZGRUSLSA-N 0 1 387.505 3.326 20 0 GGADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000833178078 601540747 /nfs/dbraw/zinc/54/07/47/601540747.db2.gz DSYCZLYGQPBVLQ-WMLDXEAASA-N 0 1 389.883 3.203 20 0 GGADMN CCc1cc2c(C[N@H+]3CCc4ccccc4[C@H]3C(=O)[O-])cc(=O)oc2cc1O ZINC000830224829 601542514 /nfs/dbraw/zinc/54/25/14/601542514.db2.gz XPCWRCWMPBKSQP-NRFANRHFSA-N 0 1 379.412 3.245 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000662235804 601544534 /nfs/dbraw/zinc/54/45/34/601544534.db2.gz VFZAVGOYWPWADS-SFHVURJKSA-N 0 1 376.815 3.492 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000833146965 601547249 /nfs/dbraw/zinc/54/72/49/601547249.db2.gz PATNGWSYKPLHKH-OAQYLSRUSA-N 0 1 390.439 3.394 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924120 601550291 /nfs/dbraw/zinc/55/02/91/601550291.db2.gz GMKFCDURPKWTCJ-ZHNGQKSSSA-N 0 1 383.488 3.114 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCC(C)(C)CC1 ZINC000830670217 601552444 /nfs/dbraw/zinc/55/24/44/601552444.db2.gz ZOTQNKPHHGAAAA-IBGZPJMESA-N 0 1 385.508 3.180 20 0 GGADMN O=C([O-])/C=C1/SCC(=O)N1CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000833196319 601563855 /nfs/dbraw/zinc/56/38/55/601563855.db2.gz QUAZJHYFNNSARY-UDWIEESQSA-N 0 1 398.484 3.196 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000830908435 601564126 /nfs/dbraw/zinc/56/41/26/601564126.db2.gz VPBXHVJUBLWIFN-WIYYLYMNSA-N 0 1 391.471 3.038 20 0 GGADMN O=C([O-])C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)CCO1 ZINC000320822674 601571807 /nfs/dbraw/zinc/57/18/07/601571807.db2.gz SRGDIOHIQPIYTO-HNNXBMFYSA-N 0 1 380.238 3.385 20 0 GGADMN O=C([O-])C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)cc3)o2)CCO1 ZINC000320822674 601571809 /nfs/dbraw/zinc/57/18/09/601571809.db2.gz SRGDIOHIQPIYTO-HNNXBMFYSA-N 0 1 380.238 3.385 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000833105073 601584258 /nfs/dbraw/zinc/58/42/58/601584258.db2.gz IBQPGIYVQUBTSQ-HXUWFJFHSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000833105073 601584259 /nfs/dbraw/zinc/58/42/59/601584259.db2.gz IBQPGIYVQUBTSQ-HXUWFJFHSA-N 0 1 382.460 3.047 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@@H]1C ZINC000829760621 601586948 /nfs/dbraw/zinc/58/69/48/601586948.db2.gz UODVBCIAKQYLQI-YOEHRIQHSA-N 0 1 379.526 3.341 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1C ZINC000831651311 601594235 /nfs/dbraw/zinc/59/42/35/601594235.db2.gz VVRYLWHEDLAUAB-CBVHJVASSA-N 0 1 376.497 3.213 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000820696255 601610874 /nfs/dbraw/zinc/61/08/74/601610874.db2.gz AYADGGQCLMODFO-HNNXBMFYSA-N 0 1 389.521 3.257 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000833107598 601611651 /nfs/dbraw/zinc/61/16/51/601611651.db2.gz SWEKIELHWUTWDI-IBGZPJMESA-N 0 1 394.427 3.152 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000833107598 601611654 /nfs/dbraw/zinc/61/16/54/601611654.db2.gz SWEKIELHWUTWDI-IBGZPJMESA-N 0 1 394.427 3.152 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000237416965 601614340 /nfs/dbraw/zinc/61/43/40/601614340.db2.gz HPUQJTJCOVJMGT-HZPDHXFCSA-N 0 1 382.460 3.175 20 0 GGADMN COc1ccc(OC)c(CN2CC[NH+](Cc3cc(C(=O)[O-])sc3C)CC2)c1 ZINC000832436247 601614745 /nfs/dbraw/zinc/61/47/45/601614745.db2.gz RKVBICBLULINMH-UHFFFAOYSA-N 0 1 390.505 3.090 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000833032847 601618097 /nfs/dbraw/zinc/61/80/97/601618097.db2.gz NTZVPNJKDHHTAJ-UHFFFAOYSA-N 0 1 376.453 3.242 20 0 GGADMN O=C([O-])c1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1F ZINC000833313603 601619128 /nfs/dbraw/zinc/61/91/28/601619128.db2.gz AXYPRZUKZMQBKV-UHFFFAOYSA-N 0 1 394.244 3.004 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000833031989 601619280 /nfs/dbraw/zinc/61/92/80/601619280.db2.gz RZGJHMORVXLDPN-UHFFFAOYSA-N 0 1 396.310 3.234 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1F ZINC000831378712 601625271 /nfs/dbraw/zinc/62/52/71/601625271.db2.gz DUYPXDPWDFHPCN-CQSZACIVSA-N 0 1 386.423 3.021 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1F ZINC000831378712 601625273 /nfs/dbraw/zinc/62/52/73/601625273.db2.gz DUYPXDPWDFHPCN-CQSZACIVSA-N 0 1 386.423 3.021 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000833009503 601629369 /nfs/dbraw/zinc/62/93/69/601629369.db2.gz YQLQFMLBOGTSLX-KDOFPFPSSA-N 0 1 382.464 3.138 20 0 GGADMN CC(C)[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccccc1 ZINC000826936050 601634372 /nfs/dbraw/zinc/63/43/72/601634372.db2.gz YWSCAYQCIQGOJF-OAQYLSRUSA-N 0 1 393.487 3.190 20 0 GGADMN Cc1sc(C(=O)[O-])cc1CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000833031891 601636533 /nfs/dbraw/zinc/63/65/33/601636533.db2.gz VBYGKFYOKFLXNB-SNVBAGLBSA-N 0 1 385.486 3.256 20 0 GGADMN CCCCC[C@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000829333934 601641376 /nfs/dbraw/zinc/64/13/76/601641376.db2.gz WFHYIWIJNPMVSR-MDZRGWNJSA-N 0 1 376.497 3.059 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000830810585 601643338 /nfs/dbraw/zinc/64/33/38/601643338.db2.gz BJVAOUJUCKVAQT-UHFFFAOYSA-N 0 1 383.322 3.486 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000830810585 601643340 /nfs/dbraw/zinc/64/33/40/601643340.db2.gz BJVAOUJUCKVAQT-UHFFFAOYSA-N 0 1 383.322 3.486 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C[C@H]1C(=O)[O-] ZINC000828159830 601649553 /nfs/dbraw/zinc/64/95/53/601649553.db2.gz CBZKETCVCYAFRP-PFRQMTDMSA-N 0 1 387.524 3.027 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000833032398 601650886 /nfs/dbraw/zinc/65/08/86/601650886.db2.gz YSDUXEIFCQEKLD-INIZCTEOSA-N 0 1 386.395 3.264 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828361981 601652188 /nfs/dbraw/zinc/65/21/88/601652188.db2.gz NMZPCMCJISPCSS-JXFKEZNVSA-N 0 1 387.524 3.313 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000833106800 601662481 /nfs/dbraw/zinc/66/24/81/601662481.db2.gz WFMLCAZQCSAKRA-IINYFYTJSA-N 0 1 387.263 3.131 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000833106800 601662482 /nfs/dbraw/zinc/66/24/82/601662482.db2.gz WFMLCAZQCSAKRA-IINYFYTJSA-N 0 1 387.263 3.131 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000833106801 601662522 /nfs/dbraw/zinc/66/25/22/601662522.db2.gz WFMLCAZQCSAKRA-QMTHXVAHSA-N 0 1 387.263 3.131 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000833106801 601662524 /nfs/dbraw/zinc/66/25/24/601662524.db2.gz WFMLCAZQCSAKRA-QMTHXVAHSA-N 0 1 387.263 3.131 20 0 GGADMN C[N@@H+](Cc1ccccc1CNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1 ZINC000830856663 601668433 /nfs/dbraw/zinc/66/84/33/601668433.db2.gz OAFZOFLSKIWLRF-UHFFFAOYSA-N 0 1 375.513 3.361 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832862729 601675473 /nfs/dbraw/zinc/67/54/73/601675473.db2.gz DMQDTGDZBACMBJ-FQEVSTJZSA-N 0 1 396.487 3.161 20 0 GGADMN Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000832864405 601675507 /nfs/dbraw/zinc/67/55/07/601675507.db2.gz ZTXHGPFAZVCTPC-OAHLLOKOSA-N 0 1 376.497 3.009 20 0 GGADMN CC(C)(CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000826576557 601687984 /nfs/dbraw/zinc/68/79/84/601687984.db2.gz KFERNAVTKBEKAM-UHFFFAOYSA-N 0 1 395.503 3.214 20 0 GGADMN CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000829753513 601727532 /nfs/dbraw/zinc/72/75/32/601727532.db2.gz PNSCBBGKXZETBS-XJKSGUPXSA-N 0 1 388.489 3.340 20 0 GGADMN C[C@H](Cc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827593024 601727927 /nfs/dbraw/zinc/72/79/27/601727927.db2.gz YVAYCXHXCBZLIN-WZONZLPQSA-N 0 1 380.488 3.101 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)CCCc2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833098525 601728323 /nfs/dbraw/zinc/72/83/23/601728323.db2.gz 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COc1ccc([C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832216865 601734093 /nfs/dbraw/zinc/73/40/93/601734093.db2.gz UEOOJZFEHWRQEX-SBUREZEXSA-N 0 1 396.487 3.034 20 0 GGADMN C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000827226737 601734245 /nfs/dbraw/zinc/73/42/45/601734245.db2.gz PRTOFTYUAUUYCC-JPYJTQIMSA-N 0 1 380.488 3.416 20 0 GGADMN Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(F)cc1F ZINC000832863577 601734431 /nfs/dbraw/zinc/73/44/31/601734431.db2.gz RQGGCDISVCFFOR-NRFANRHFSA-N 0 1 388.414 3.122 20 0 GGADMN O=C(C[C@@H]1CCc2ccccc21)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833097339 601734788 /nfs/dbraw/zinc/73/47/88/601734788.db2.gz LNNSHXOCLZLZPN-GBXCKJPGSA-N 0 1 392.499 3.342 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)/C=C\c2ccccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833094802 601734909 /nfs/dbraw/zinc/73/49/09/601734909.db2.gz KTQGDFOWLTXMBN-SSSWZJSRSA-N 0 1 382.435 3.075 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cccc3cccnc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128463 601734966 /nfs/dbraw/zinc/73/49/66/601734966.db2.gz GYFHSGUYGQXFOV-HSZRJFAPSA-N 0 1 389.455 3.084 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Cc2ccccc2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833119118 601736159 /nfs/dbraw/zinc/73/61/59/601736159.db2.gz YZQMICXETDSJOU-OAQYLSRUSA-N 0 1 386.879 3.118 20 0 GGADMN CSc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832790099 601740732 /nfs/dbraw/zinc/74/07/32/601740732.db2.gz FVAQTURSEYVEME-NRFANRHFSA-N 0 1 384.501 3.258 20 0 GGADMN CSc1ccccc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832790100 601740777 /nfs/dbraw/zinc/74/07/77/601740777.db2.gz FVAQTURSEYVEME-OAQYLSRUSA-N 0 1 384.501 3.258 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)C(F)(F)c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833177068 601741271 /nfs/dbraw/zinc/74/12/71/601741271.db2.gz YUYIITLLXPKRIZ-HXUWFJFHSA-N 0 1 388.414 3.014 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2ccnc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128697 601741314 /nfs/dbraw/zinc/74/13/14/601741314.db2.gz MDLYCBKGDCIVMR-HSZRJFAPSA-N 0 1 389.455 3.084 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cccc3c2CCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128316 601741401 /nfs/dbraw/zinc/74/14/01/601741401.db2.gz DDHRZFDSIFJIGQ-QHCPKHFHSA-N 0 1 378.472 3.025 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCC2CC2)c1-c1nn[nH]n1 ZINC000826233345 607524196 /nfs/dbraw/zinc/52/41/96/607524196.db2.gz CZOSGCGZQUHWJM-UHFFFAOYSA-N 0 1 399.543 3.461 20 0 GGADMN O=C([O-])CCCc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000833228964 601742162 /nfs/dbraw/zinc/74/21/62/601742162.db2.gz KMTJCKSONTUBAG-INIZCTEOSA-N 0 1 387.505 3.401 20 0 GGADMN c1cc(CNc2ccc3nn[nH]c3c2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826516716 607524332 /nfs/dbraw/zinc/52/43/32/607524332.db2.gz XVXGUDLMQRIRCB-UHFFFAOYSA-N 0 1 398.430 3.329 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000826881585 601754652 /nfs/dbraw/zinc/75/46/52/601754652.db2.gz 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GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000833193584 601800353 /nfs/dbraw/zinc/80/03/53/601800353.db2.gz CYAUPGOVGVWHDX-HNNXBMFYSA-N 0 1 390.233 3.189 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000833193584 601800354 /nfs/dbraw/zinc/80/03/54/601800354.db2.gz CYAUPGOVGVWHDX-HNNXBMFYSA-N 0 1 390.233 3.189 20 0 GGADMN O=C([O-])c1sccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000833348215 601809986 /nfs/dbraw/zinc/80/99/86/601809986.db2.gz DUHUXPOGUHQCSO-UHFFFAOYSA-N 0 1 378.881 3.448 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000831800393 601815682 /nfs/dbraw/zinc/81/56/82/601815682.db2.gz LFBOZWSXQKQAJA-AAEUAGOBSA-N 0 1 383.901 3.082 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000831800393 601815683 /nfs/dbraw/zinc/81/56/83/601815683.db2.gz LFBOZWSXQKQAJA-AAEUAGOBSA-N 0 1 383.901 3.082 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000831800395 601816071 /nfs/dbraw/zinc/81/60/71/601816071.db2.gz LFBOZWSXQKQAJA-WCQYABFASA-N 0 1 383.901 3.082 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000831800395 601816073 /nfs/dbraw/zinc/81/60/73/601816073.db2.gz LFBOZWSXQKQAJA-WCQYABFASA-N 0 1 383.901 3.082 20 0 GGADMN C[C@@H]1C[N@@H+](Cn2ccn(-c3ccc(Br)cc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828463135 601818590 /nfs/dbraw/zinc/81/85/90/601818590.db2.gz OWNNTRPNZAOUDL-BXUZGUMPSA-N 0 1 396.310 3.381 20 0 GGADMN C[C@@H]1C[N@@H+](Cn2ccn(-c3ccc(Br)cc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828463152 601818629 /nfs/dbraw/zinc/81/86/29/601818629.db2.gz OWNNTRPNZAOUDL-RISCZKNCSA-N 0 1 396.310 3.381 20 0 GGADMN COc1cccc(Nc2nn(C[N@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)c(=S)s2)c1 ZINC000832562674 601820000 /nfs/dbraw/zinc/82/00/00/601820000.db2.gz QGNXYCOHGKPOLF-MFKMUULPSA-N 0 1 380.495 3.036 20 0 GGADMN COc1cccc(Nc2nn(C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)c(=S)s2)c1 ZINC000832562674 601820002 /nfs/dbraw/zinc/82/00/02/601820002.db2.gz QGNXYCOHGKPOLF-MFKMUULPSA-N 0 1 380.495 3.036 20 0 GGADMN CC[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000659393983 601824781 /nfs/dbraw/zinc/82/47/81/601824781.db2.gz HVSZFFUTWGPSJQ-HXUWFJFHSA-N 0 1 387.524 3.110 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000659399182 601827950 /nfs/dbraw/zinc/82/79/50/601827950.db2.gz JGDARWNJHSPWKV-LPHOPBHVSA-N 0 1 393.553 3.417 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000659397402 601828388 /nfs/dbraw/zinc/82/83/88/601828388.db2.gz KSVODJCIVDCGSC-FXAWDEMLSA-N 0 1 387.524 3.326 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659398902 601828674 /nfs/dbraw/zinc/82/86/74/601828674.db2.gz ZKKOCMNJHSUZAM-YLJYHZDGSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659398900 601828734 /nfs/dbraw/zinc/82/87/34/601828734.db2.gz 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Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000832845449 604283100 /nfs/dbraw/zinc/28/31/00/604283100.db2.gz FMSGIBCSCDRMEC-CQSZACIVSA-N 0 1 383.492 3.492 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2)C1 ZINC000828290013 604298007 /nfs/dbraw/zinc/29/80/07/604298007.db2.gz PUSDBTYPEJQQTF-AWEZNQCLSA-N 0 1 386.423 3.497 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000832846701 604299600 /nfs/dbraw/zinc/29/96/00/604299600.db2.gz NAUFEHUFANJIRO-CQSZACIVSA-N 0 1 375.494 3.033 20 0 GGADMN COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826180436 607684454 /nfs/dbraw/zinc/68/44/54/607684454.db2.gz HPGJWAAKJUTEIS-OLZOCXBDSA-N 0 1 380.452 3.246 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000738168920 604319241 /nfs/dbraw/zinc/31/92/41/604319241.db2.gz OENIBNOTCAWLNU-CHWSQXEVSA-N 0 1 385.464 3.191 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cncc(C(=O)[O-])c3)cc2)C1 ZINC000828265384 604322170 /nfs/dbraw/zinc/32/21/70/604322170.db2.gz BDLMNBRNOUCAQT-HNNXBMFYSA-N 0 1 382.464 3.333 20 0 GGADMN O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000833226605 604352985 /nfs/dbraw/zinc/35/29/85/604352985.db2.gz KDPNPKINXHINIW-NRFANRHFSA-N 0 1 395.503 3.187 20 0 GGADMN C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508431 604353262 /nfs/dbraw/zinc/35/32/62/604353262.db2.gz FKFXQISAKYJGME-DOTOQJQBSA-N 0 1 392.455 3.182 20 0 GGADMN C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508431 604353267 /nfs/dbraw/zinc/35/32/67/604353267.db2.gz FKFXQISAKYJGME-DOTOQJQBSA-N 0 1 392.455 3.182 20 0 GGADMN C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508434 604353510 /nfs/dbraw/zinc/35/35/10/604353510.db2.gz FKFXQISAKYJGME-WBVHZDCISA-N 0 1 392.455 3.182 20 0 GGADMN C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508434 604353513 /nfs/dbraw/zinc/35/35/13/604353513.db2.gz FKFXQISAKYJGME-WBVHZDCISA-N 0 1 392.455 3.182 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000830940254 604355714 /nfs/dbraw/zinc/35/57/14/604355714.db2.gz DXPIJHPGYYVLJU-XHDPSFHLSA-N 0 1 385.386 3.352 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826793319 604356108 /nfs/dbraw/zinc/35/61/08/604356108.db2.gz MWCGBJDZQZZKGG-HSALFYBXSA-N 0 1 387.524 3.182 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826793316 604356347 /nfs/dbraw/zinc/35/63/47/604356347.db2.gz MWCGBJDZQZZKGG-AABGKKOBSA-N 0 1 387.524 3.182 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000833186681 604357674 /nfs/dbraw/zinc/35/76/74/604357674.db2.gz TULFDVSCTNGVLG-DOIPELPJSA-N 0 1 384.520 3.391 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000833186680 604357827 /nfs/dbraw/zinc/35/78/27/604357827.db2.gz TULFDVSCTNGVLG-BQJUDKOJSA-N 0 1 384.520 3.391 20 0 GGADMN Cc1ccc([C@@H](O)C[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000832924976 604358331 /nfs/dbraw/zinc/35/83/31/604358331.db2.gz QCSVGLPHIDUCFQ-VQTJNVASSA-N 0 1 388.895 3.125 20 0 GGADMN Cc1nc(C)c(C[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000832994181 604358378 /nfs/dbraw/zinc/35/83/78/604358378.db2.gz DKSUTRZKQKLIDW-QGZVFWFLSA-N 0 1 379.913 3.357 20 0 GGADMN O=C([O-])c1ccoc1C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000833335857 604370432 /nfs/dbraw/zinc/37/04/32/604370432.db2.gz FLLWTOOOSRPOLQ-UHFFFAOYSA-N 0 1 397.244 3.197 20 0 GGADMN C/C(=C\C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000825741535 604371619 /nfs/dbraw/zinc/37/16/19/604371619.db2.gz OYGHFCMUCUZDNR-UDWIEESQSA-N 0 1 394.515 3.441 20 0 GGADMN O=C([O-])c1ccoc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000833336828 604372891 /nfs/dbraw/zinc/37/28/91/604372891.db2.gz VTFHKPQXBPMWGP-UHFFFAOYSA-N 0 1 379.254 3.058 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826088827 604374720 /nfs/dbraw/zinc/37/47/20/604374720.db2.gz CDTJMHBDYNSNDQ-WOJBJXKFSA-N 0 1 395.503 3.262 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000827022415 604401969 /nfs/dbraw/zinc/40/19/69/604401969.db2.gz VJGNGDBWMBXYOB-LBPRGKRZSA-N 0 1 396.228 3.361 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)Cc2cc(OC)c(OC)cc2C)c1 ZINC000652379706 604453973 /nfs/dbraw/zinc/45/39/73/604453973.db2.gz FTHAGKFLHSVGEF-HXUWFJFHSA-N 0 1 389.448 3.287 20 0 GGADMN C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000830681857 604458235 /nfs/dbraw/zinc/45/82/35/604458235.db2.gz JEXUXCKJHGQSPK-UHFFFAOYSA-N 0 1 382.464 3.017 20 0 GGADMN C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000830681857 604458236 /nfs/dbraw/zinc/45/82/36/604458236.db2.gz JEXUXCKJHGQSPK-UHFFFAOYSA-N 0 1 382.464 3.017 20 0 GGADMN C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000566749810 604458698 /nfs/dbraw/zinc/45/86/98/604458698.db2.gz ZDSBYVYZFANWTQ-HXUWFJFHSA-N 0 1 383.488 3.483 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000575755156 604460935 /nfs/dbraw/zinc/46/09/35/604460935.db2.gz BWUODFXUMSCXRN-GUYCJALGSA-N 0 1 376.478 3.474 20 0 GGADMN COc1cc(NC(=O)CC[N@@H+](C)C2(C(=O)[O-])CCCC2)c(OC)cc1Cl ZINC000832017684 604464757 /nfs/dbraw/zinc/46/47/57/604464757.db2.gz YUHQPBZITHBCPA-UHFFFAOYSA-N 0 1 384.860 3.015 20 0 GGADMN C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000830683764 604465183 /nfs/dbraw/zinc/46/51/83/604465183.db2.gz IDBGVESTVAOJGK-UHFFFAOYSA-N 0 1 395.459 3.207 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000830683764 604465187 /nfs/dbraw/zinc/46/51/87/604465187.db2.gz IDBGVESTVAOJGK-UHFFFAOYSA-N 0 1 395.459 3.207 20 0 GGADMN C[N@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1(C(=O)[O-])CCCC1 ZINC000830669560 604468021 /nfs/dbraw/zinc/46/80/21/604468021.db2.gz HYLMEIJFLRLISV-NRFANRHFSA-N 0 1 392.499 3.490 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1(C(=O)[O-])CCCC1 ZINC000830669560 604468025 /nfs/dbraw/zinc/46/80/25/604468025.db2.gz HYLMEIJFLRLISV-NRFANRHFSA-N 0 1 392.499 3.490 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@H+]([C@@H](C(=O)[O-])c1ccc(F)cc1)CC2 ZINC000579364757 604470604 /nfs/dbraw/zinc/47/06/04/604470604.db2.gz WPXFJWKHUGTNRF-GOSISDBHSA-N 0 1 389.423 3.078 20 0 GGADMN CCc1csc([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(C(=O)OC)c3)C2)n1 ZINC000833676808 604473826 /nfs/dbraw/zinc/47/38/26/604473826.db2.gz TZRDTUOJYAXNGI-WBVHZDCISA-N 0 1 388.489 3.497 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000833700693 604478548 /nfs/dbraw/zinc/47/85/48/604478548.db2.gz DXTZYKACWXHJAC-YLJYHZDGSA-N 0 1 383.444 3.138 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000833700693 604478550 /nfs/dbraw/zinc/47/85/50/604478550.db2.gz DXTZYKACWXHJAC-YLJYHZDGSA-N 0 1 383.444 3.138 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000578899691 604479229 /nfs/dbraw/zinc/47/92/29/604479229.db2.gz CNPPKGZIDUCXHC-LAUBAEHRSA-N 0 1 385.460 3.368 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000833700049 604481966 /nfs/dbraw/zinc/48/19/66/604481966.db2.gz ACHADPZNHJEBPP-IBGZPJMESA-N 0 1 393.443 3.355 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC000828160184 604486495 /nfs/dbraw/zinc/48/64/95/604486495.db2.gz FUQCNRPRTITGBC-FUHIMQAGSA-N 0 1 387.524 3.313 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000263464082 604493584 /nfs/dbraw/zinc/49/35/84/604493584.db2.gz JOCPHQARBGHCJS-MAHYXTOZSA-N 0 1 399.535 3.326 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000263463631 604494095 /nfs/dbraw/zinc/49/40/95/604494095.db2.gz JOCPHQARBGHCJS-GOLJUSPKSA-N 0 1 399.535 3.326 20 0 GGADMN O=C([O-])c1csc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000833341937 604496316 /nfs/dbraw/zinc/49/63/16/604496316.db2.gz ANJFSXNWUPLVCC-UHFFFAOYSA-N 0 1 377.441 3.325 20 0 GGADMN O=C([O-])c1csc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000833341937 604496319 /nfs/dbraw/zinc/49/63/19/604496319.db2.gz ANJFSXNWUPLVCC-UHFFFAOYSA-N 0 1 377.441 3.325 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829765509 604502635 /nfs/dbraw/zinc/50/26/35/604502635.db2.gz XDTHBOLPCNNFJN-MRXNPFEDSA-N 0 1 388.493 3.360 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826881241 604509766 /nfs/dbraw/zinc/50/97/66/604509766.db2.gz KSMHMPLJYHBEPQ-FUHWJXTLSA-N 0 1 375.513 3.116 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1C ZINC000829752066 604520402 /nfs/dbraw/zinc/52/04/02/604520402.db2.gz CJWBSMBITISKET-NJAFHUGGSA-N 0 1 375.513 3.353 20 0 GGADMN COC(=O)c1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000833717964 604521229 /nfs/dbraw/zinc/52/12/29/604521229.db2.gz ZWKCBHYKMJSYOE-SFHVURJKSA-N 0 1 399.443 3.065 20 0 GGADMN COC(=O)c1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000833717964 604521231 /nfs/dbraw/zinc/52/12/31/604521231.db2.gz ZWKCBHYKMJSYOE-SFHVURJKSA-N 0 1 399.443 3.065 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)C(=O)[O-] ZINC000833539488 604522754 /nfs/dbraw/zinc/52/27/54/604522754.db2.gz GMLVMXVYWOCHSH-HNNXBMFYSA-N 0 1 395.459 3.431 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1)C(=O)[O-] ZINC000833537537 604523335 /nfs/dbraw/zinc/52/33/35/604523335.db2.gz KWZCPZOJFUNOTI-KRWDZBQOSA-N 0 1 384.476 3.007 20 0 GGADMN Cc1cc(N2CC[NH+](Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2)nc(C(C)C)n1 ZINC000833746174 604524384 /nfs/dbraw/zinc/52/43/84/604524384.db2.gz QZKVZTUHAFQVAQ-QGZVFWFLSA-N 0 1 398.507 3.083 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829163347 604525170 /nfs/dbraw/zinc/52/51/70/604525170.db2.gz XFTZXXRSDNCUSD-GUDVDZBRSA-N 0 1 387.524 3.497 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1)C(=O)[O-] ZINC000833544428 604525596 /nfs/dbraw/zinc/52/55/96/604525596.db2.gz XMBQGVMWUJOIGW-FUHWJXTLSA-N 0 1 398.507 3.236 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833439260 604530797 /nfs/dbraw/zinc/53/07/97/604530797.db2.gz MGHMTZUMKVPYCK-DOTOQJQBSA-N 0 1 377.485 3.324 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000826094985 604535345 /nfs/dbraw/zinc/53/53/45/604535345.db2.gz GKQAUMAJSNXEOH-HXUWFJFHSA-N 0 1 395.503 3.366 20 0 GGADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833011405 604535452 /nfs/dbraw/zinc/53/54/52/604535452.db2.gz VLMJVTUURZMQCH-ROUUACIJSA-N 0 1 384.480 3.218 20 0 GGADMN Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](c3ccccc3)C(C)(C)C(=O)[O-])CC2)c1 ZINC000832983061 604536877 /nfs/dbraw/zinc/53/68/77/604536877.db2.gz GBULCPOOBQQNLZ-LJQANCHMSA-N 0 1 396.491 3.074 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833630243 604565084 /nfs/dbraw/zinc/56/50/84/604565084.db2.gz QMAMMUGIXAHUPO-LAUBAEHRSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000833549617 604575629 /nfs/dbraw/zinc/57/56/29/604575629.db2.gz FQPXVBRRSMKLEQ-MRXNPFEDSA-N 0 1 392.459 3.314 20 0 GGADMN O=C([O-])c1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000821550378 604586879 /nfs/dbraw/zinc/58/68/79/604586879.db2.gz BOTKFZHPAITIGY-IBGZPJMESA-N 0 1 390.443 3.281 20 0 GGADMN O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000821545908 604586934 /nfs/dbraw/zinc/58/69/34/604586934.db2.gz LPRKNZNTYVCCDL-IBGZPJMESA-N 0 1 390.443 3.281 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614896 604599979 /nfs/dbraw/zinc/59/99/79/604599979.db2.gz XDVFSRIBKZWBGS-GJZGRUSLSA-N 0 1 379.526 3.495 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614897 604600039 /nfs/dbraw/zinc/60/00/39/604600039.db2.gz XDVFSRIBKZWBGS-HUUCEWRRSA-N 0 1 379.526 3.495 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833693439 604601034 /nfs/dbraw/zinc/60/10/34/604601034.db2.gz XQMWGGUHBMPHRH-FQEVSTJZSA-N 0 1 395.503 3.091 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833615574 604601357 /nfs/dbraw/zinc/60/13/57/604601357.db2.gz OFHKQSPSBSKEDC-IEBWSBKVSA-N 0 1 387.524 3.223 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833615573 604601367 /nfs/dbraw/zinc/60/13/67/604601367.db2.gz OFHKQSPSBSKEDC-HKUYNNGSSA-N 0 1 387.524 3.223 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000833614781 604602271 /nfs/dbraw/zinc/60/22/71/604602271.db2.gz UXIYGHYFSUFPLX-HUUCEWRRSA-N 0 1 379.526 3.495 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833615493 604606728 /nfs/dbraw/zinc/60/67/28/604606728.db2.gz FDWYMNAQIJVJCS-SFHVURJKSA-N 0 1 395.503 3.233 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541533 604610605 /nfs/dbraw/zinc/61/06/05/604610605.db2.gz NKSHUQVPNMYNCS-DOTOQJQBSA-N 0 1 392.496 3.275 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439248 604615161 /nfs/dbraw/zinc/61/51/61/604615161.db2.gz LOLLKOWHGQXRBZ-SJORKVTESA-N 0 1 377.485 3.467 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540843 604622467 /nfs/dbraw/zinc/62/24/67/604622467.db2.gz LKAXNHNQBWSJJM-MJGOQNOKSA-N 0 1 396.487 3.181 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538932 604622791 /nfs/dbraw/zinc/62/27/91/604622791.db2.gz DVSCDMPKAXHKBA-NVXWUHKLSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@H](CC(=O)[O-])SCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000827385707 604631201 /nfs/dbraw/zinc/63/12/01/604631201.db2.gz NRMQDZZLIABDHD-CZUORRHYSA-N 0 1 384.929 3.190 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCN(c3nc4ccccc4o3)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833542973 604636081 /nfs/dbraw/zinc/63/60/81/604636081.db2.gz WWPGJNJPOWSKLP-JKSUJKDBSA-N 0 1 395.459 3.390 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCN(c3nc4ccccc4o3)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833542970 604636347 /nfs/dbraw/zinc/63/63/47/604636347.db2.gz WWPGJNJPOWSKLP-HZPDHXFCSA-N 0 1 395.459 3.390 20 0 GGADMN C[N@@H+](Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-])CC(C)(CO)CO ZINC000830875062 604648825 /nfs/dbraw/zinc/64/88/25/604648825.db2.gz RPJKSZSNHGNKOH-UHFFFAOYSA-N 0 1 394.471 3.023 20 0 GGADMN COc1cc(F)ccc1N1CC[NH+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833729991 604653393 /nfs/dbraw/zinc/65/33/93/604653393.db2.gz WJGBVDXRXRKGBN-HNNXBMFYSA-N 0 1 388.439 3.008 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833543683 604664801 /nfs/dbraw/zinc/66/48/01/604664801.db2.gz URPQMFWOGSYMFN-HOCLYGCPSA-N 0 1 378.469 3.028 20 0 GGADMN CCCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000833652439 604672493 /nfs/dbraw/zinc/67/24/93/604672493.db2.gz UMIDSLOFAPRDBO-DGCLKSJQSA-N 0 1 386.286 3.399 20 0 GGADMN CCCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000833652437 604672634 /nfs/dbraw/zinc/67/26/34/604672634.db2.gz UMIDSLOFAPRDBO-AAEUAGOBSA-N 0 1 386.286 3.399 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccc(Br)cn12 ZINC000263496604 604679552 /nfs/dbraw/zinc/67/95/52/604679552.db2.gz JUQRETGMKRAFKY-CQDKDKBSSA-N 0 1 378.270 3.315 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833536787 604683601 /nfs/dbraw/zinc/68/36/01/604683601.db2.gz FICOBGVJXQADFZ-RIDFSIMASA-N 0 1 375.490 3.469 20 0 GGADMN CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000262143123 604684657 /nfs/dbraw/zinc/68/46/57/604684657.db2.gz IWLIASKPQNHANQ-UHFFFAOYSA-N 0 1 380.488 3.271 20 0 GGADMN O=C([O-])C1(O)CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000833785554 604725582 /nfs/dbraw/zinc/72/55/82/604725582.db2.gz CLEXCGVVIIDOKF-LJQANCHMSA-N 0 1 378.428 3.003 20 0 GGADMN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833635022 604733419 /nfs/dbraw/zinc/73/34/19/604733419.db2.gz NQAYKQBDOPOOKH-YOEHRIQHSA-N 0 1 377.510 3.095 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264349 604744001 /nfs/dbraw/zinc/74/40/01/604744001.db2.gz ABIMNFNWTVFVMD-OXQOHEQNSA-N 0 1 388.508 3.324 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264348 604744290 /nfs/dbraw/zinc/74/42/90/604744290.db2.gz ABIMNFNWTVFVMD-OXJNMPFZSA-N 0 1 388.508 3.324 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCC1 ZINC000831230964 604753715 /nfs/dbraw/zinc/75/37/15/604753715.db2.gz SLELWZAZNLISQM-ZDUSSCGKSA-N 0 1 394.493 3.134 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000831230963 604753984 /nfs/dbraw/zinc/75/39/84/604753984.db2.gz SLELWZAZNLISQM-CYBMUJFWSA-N 0 1 394.493 3.134 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833596855 604754671 /nfs/dbraw/zinc/75/46/71/604754671.db2.gz NCIRQKKAFUWJJH-UTKZUKDTSA-N 0 1 380.488 3.439 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833512230 604759265 /nfs/dbraw/zinc/75/92/65/604759265.db2.gz QTZHGNMMHHUDOV-GOSISDBHSA-N 0 1 391.899 3.307 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000833286360 604760618 /nfs/dbraw/zinc/76/06/18/604760618.db2.gz QSXUSMYVJDFIHR-IBGZPJMESA-N 0 1 381.476 3.347 20 0 GGADMN CCCOc1c(Cl)cc(C[NH+]2CCC([C@@H](O)C(=O)[O-])CC2)cc1OCC ZINC000833652188 604761306 /nfs/dbraw/zinc/76/13/06/604761306.db2.gz PGLMWYSIYSGJGB-QGZVFWFLSA-N 0 1 385.888 3.185 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C1CC1)C1CCCC1 ZINC000831230744 604761583 /nfs/dbraw/zinc/76/15/83/604761583.db2.gz KAWXUVCQHDFSBL-UHFFFAOYSA-N 0 1 394.493 3.277 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CCC[C@@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000832853065 604762841 /nfs/dbraw/zinc/76/28/41/604762841.db2.gz RDIXFESSGJPACJ-HNNXBMFYSA-N 0 1 397.500 3.446 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CCC[C@@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000832853065 604762844 /nfs/dbraw/zinc/76/28/44/604762844.db2.gz RDIXFESSGJPACJ-HNNXBMFYSA-N 0 1 397.500 3.446 20 0 GGADMN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](Cc3ccccc3)C1)[nH]c2=O ZINC000833325024 604764010 /nfs/dbraw/zinc/76/40/10/604764010.db2.gz IRVQZCCZEIRMJQ-MRXNPFEDSA-N 0 1 377.444 3.488 20 0 GGADMN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](Cc3ccccc3)C1)[nH]c2=O ZINC000833325024 604764013 /nfs/dbraw/zinc/76/40/13/604764013.db2.gz IRVQZCCZEIRMJQ-MRXNPFEDSA-N 0 1 377.444 3.488 20 0 GGADMN Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745508 604765931 /nfs/dbraw/zinc/76/59/31/604765931.db2.gz LVSVDFHKTXNBFR-RTWAWAEBSA-N 0 1 399.487 3.091 20 0 GGADMN Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745508 604765934 /nfs/dbraw/zinc/76/59/34/604765934.db2.gz LVSVDFHKTXNBFR-RTWAWAEBSA-N 0 1 399.487 3.091 20 0 GGADMN Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745507 604766368 /nfs/dbraw/zinc/76/63/68/604766368.db2.gz LVSVDFHKTXNBFR-NHCUHLMSSA-N 0 1 399.487 3.091 20 0 GGADMN Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745507 604766370 /nfs/dbraw/zinc/76/63/70/604766370.db2.gz LVSVDFHKTXNBFR-NHCUHLMSSA-N 0 1 399.487 3.091 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000833506105 604768324 /nfs/dbraw/zinc/76/83/24/604768324.db2.gz SKXIXWDMKJYZHE-OAHLLOKOSA-N 0 1 384.270 3.035 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000833506104 604768622 /nfs/dbraw/zinc/76/86/22/604768622.db2.gz SKXIXWDMKJYZHE-HNNXBMFYSA-N 0 1 384.270 3.035 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833615359 604770223 /nfs/dbraw/zinc/77/02/23/604770223.db2.gz BONWTJUAGMKSDS-SFHVURJKSA-N 0 1 380.488 3.440 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@H]32)c(C(=O)[O-])c1C ZINC000831475553 604770259 /nfs/dbraw/zinc/77/02/59/604770259.db2.gz LKBZGRYWYVYYTD-CHWSQXEVSA-N 0 1 394.493 3.134 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000831230736 604770596 /nfs/dbraw/zinc/77/05/96/604770596.db2.gz JTIVONJZPUEHON-STQMWFEESA-N 0 1 394.493 3.134 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC000833544500 604773037 /nfs/dbraw/zinc/77/30/37/604773037.db2.gz YTKSLUUARCEPSA-ZOBUZTSGSA-N 0 1 392.496 3.416 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833629267 604773772 /nfs/dbraw/zinc/77/37/72/604773772.db2.gz GURXIZOPVGLQER-UWJYYQICSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)cc1)C(=O)[O-] ZINC000833541898 604775020 /nfs/dbraw/zinc/77/50/20/604775020.db2.gz PEWLEFJYSLAHPC-YCRPNKLZSA-N 0 1 389.879 3.371 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1N1CCOCC1 ZINC000829151970 604781329 /nfs/dbraw/zinc/78/13/29/604781329.db2.gz VILBEWODDKAVFE-CJNGLKHVSA-N 0 1 392.496 3.281 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1N1CCOCC1 ZINC000829151968 604781452 /nfs/dbraw/zinc/78/14/52/604781452.db2.gz VILBEWODDKAVFE-BBRMVZONSA-N 0 1 392.496 3.281 20 0 GGADMN O=C([O-])c1cccc(NC2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000833329532 604783445 /nfs/dbraw/zinc/78/34/45/604783445.db2.gz DWMLOFHHAUEYDF-SFHVURJKSA-N 0 1 399.535 3.442 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccccc3C(=O)[O-])cc2)C1 ZINC000833613142 604792293 /nfs/dbraw/zinc/79/22/93/604792293.db2.gz FBXNDIWNZVGLQR-QGZVFWFLSA-N 0 1 380.488 3.476 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)Cc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833592611 604794674 /nfs/dbraw/zinc/79/46/74/604794674.db2.gz SAXYFHVITCDPIE-XLIONFOSSA-N 0 1 380.488 3.344 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000833337074 604800294 /nfs/dbraw/zinc/80/02/94/604800294.db2.gz YYOWHQBJGGDMID-NVXWUHKLSA-N 0 1 385.489 3.128 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000833337074 604800296 /nfs/dbraw/zinc/80/02/96/604800296.db2.gz YYOWHQBJGGDMID-NVXWUHKLSA-N 0 1 385.489 3.128 20 0 GGADMN O=C([O-])CCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000833225715 604802565 /nfs/dbraw/zinc/80/25/65/604802565.db2.gz KKYVLXBMODBGBH-INIZCTEOSA-N 0 1 386.414 3.154 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833495993 604809143 /nfs/dbraw/zinc/80/91/43/604809143.db2.gz KILBHTPNRIDDAF-UHFFFAOYSA-N 0 1 395.503 3.493 20 0 GGADMN C[C@H]1C[N@H+](Cc2cccc(CNc3nc(Cl)c(C(=O)[O-])s3)c2)CCO1 ZINC000833629812 604826149 /nfs/dbraw/zinc/82/61/49/604826149.db2.gz MPESBGBFZFKRPM-NSHDSACASA-N 0 1 381.885 3.328 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cccc(CNc3nc(Cl)c(C(=O)[O-])s3)c2)CCO1 ZINC000833629812 604826152 /nfs/dbraw/zinc/82/61/52/604826152.db2.gz MPESBGBFZFKRPM-NSHDSACASA-N 0 1 381.885 3.328 20 0 GGADMN CCC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000833651299 604835507 /nfs/dbraw/zinc/83/55/07/604835507.db2.gz VAYLHUGDCABHLH-IBGZPJMESA-N 0 1 386.492 3.151 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[N@H+]1Cc1ccccc1 ZINC000833600594 604841369 /nfs/dbraw/zinc/84/13/69/604841369.db2.gz MDAQVGADFHJMTR-KKSFZXQISA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409894 604844602 /nfs/dbraw/zinc/84/46/02/604844602.db2.gz SHZBIZYCMANZQH-MRXNPFEDSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409894 604844607 /nfs/dbraw/zinc/84/46/07/604844607.db2.gz SHZBIZYCMANZQH-MRXNPFEDSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833410419 604846362 /nfs/dbraw/zinc/84/63/62/604846362.db2.gz XLJJLUHBMVFBMY-CQSZACIVSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833410419 604846366 /nfs/dbraw/zinc/84/63/66/604846366.db2.gz XLJJLUHBMVFBMY-CQSZACIVSA-N 0 1 375.428 3.318 20 0 GGADMN O=C([O-])[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000833173918 604847263 /nfs/dbraw/zinc/84/72/63/604847263.db2.gz JRQDNXDZIZNDOW-KRWDZBQOSA-N 0 1 379.382 3.044 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)cc1F ZINC000833299341 604847267 /nfs/dbraw/zinc/84/72/67/604847267.db2.gz CTPHGJKGUGBRAA-APPDUMDISA-N 0 1 379.407 3.144 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(=O)[O-] ZINC000830835123 604848665 /nfs/dbraw/zinc/84/86/65/604848665.db2.gz BZHJDBQCAUQYJG-APWZRJJASA-N 0 1 386.496 3.277 20 0 GGADMN O=C([O-])CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000833240041 604848802 /nfs/dbraw/zinc/84/88/02/604848802.db2.gz YBRHGWGVKXXKKC-BEFAXECRSA-N 0 1 387.480 3.021 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000833282841 604849496 /nfs/dbraw/zinc/84/94/96/604849496.db2.gz LHGHDAXBQCQOFL-PXAZEXFGSA-N 0 1 376.432 3.396 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000833411739 604858652 /nfs/dbraw/zinc/85/86/52/604858652.db2.gz DMVULQSECWBNEX-DFQSSKMNSA-N 0 1 399.535 3.497 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000833411740 604858791 /nfs/dbraw/zinc/85/87/91/604858791.db2.gz DMVULQSECWBNEX-MISYRCLQSA-N 0 1 399.535 3.497 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)[O-] ZINC000833546015 604859148 /nfs/dbraw/zinc/85/91/48/604859148.db2.gz NZCBSILXMJYQKS-RLFYNMQTSA-N 0 1 388.533 3.341 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)[O-] ZINC000833546013 604859576 /nfs/dbraw/zinc/85/95/76/604859576.db2.gz NZCBSILXMJYQKS-MPGHIAIKSA-N 0 1 388.533 3.341 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000833487298 604859609 /nfs/dbraw/zinc/85/96/09/604859609.db2.gz CJKOWMREZDJJAV-CVEARBPZSA-N 0 1 378.538 3.350 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000833419974 604867922 /nfs/dbraw/zinc/86/79/22/604867922.db2.gz LRXJABVSCWKSKE-JTQLQIEISA-N 0 1 399.274 3.370 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C1 ZINC000833419974 604867925 /nfs/dbraw/zinc/86/79/25/604867925.db2.gz LRXJABVSCWKSKE-JTQLQIEISA-N 0 1 399.274 3.370 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000738093487 604884590 /nfs/dbraw/zinc/88/45/90/604884590.db2.gz MSTXYGCAVDRRQB-HNAYVOBHSA-N 0 1 386.448 3.188 20 0 GGADMN COc1ccc([C@H]2[C@@H](COC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C)cc1 ZINC000832264648 604886025 /nfs/dbraw/zinc/88/60/25/604886025.db2.gz FBJHZJGTORMLJJ-BEFAXECRSA-N 0 1 387.407 3.382 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCc3sccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128332 604887421 /nfs/dbraw/zinc/88/74/21/604887421.db2.gz DFBNQAFXLCMMGJ-XMSQKQJNSA-N 0 1 398.528 3.404 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000826011679 604901617 /nfs/dbraw/zinc/90/16/17/604901617.db2.gz BRVJIFFXLVXPGD-ZDUSSCGKSA-N 0 1 376.840 3.262 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000826011677 604901929 /nfs/dbraw/zinc/90/19/29/604901929.db2.gz BRVJIFFXLVXPGD-CYBMUJFWSA-N 0 1 376.840 3.262 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833408720 604917487 /nfs/dbraw/zinc/91/74/87/604917487.db2.gz IDMJZPKECTXURL-LPHOPBHVSA-N 0 1 398.528 3.497 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833408720 604917488 /nfs/dbraw/zinc/91/74/88/604917488.db2.gz IDMJZPKECTXURL-LPHOPBHVSA-N 0 1 398.528 3.497 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833408722 604917790 /nfs/dbraw/zinc/91/77/90/604917790.db2.gz IDMJZPKECTXURL-VQIMIIECSA-N 0 1 398.528 3.497 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833408722 604917792 /nfs/dbraw/zinc/91/77/92/604917792.db2.gz IDMJZPKECTXURL-VQIMIIECSA-N 0 1 398.528 3.497 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000828266060 604922421 /nfs/dbraw/zinc/92/24/21/604922421.db2.gz OCARCNTXWIBDQN-QWHCGFSZSA-N 0 1 383.876 3.045 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C[N@H+]1Cc1ccccc1 ZINC000833599314 604924094 /nfs/dbraw/zinc/92/40/94/604924094.db2.gz DBXVGWXPPQRZMK-BBRMVZONSA-N 0 1 393.447 3.046 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833615114 604924298 /nfs/dbraw/zinc/92/42/98/604924298.db2.gz IJXUHQRNLRRENQ-GJZGRUSLSA-N 0 1 399.495 3.379 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833615115 604924310 /nfs/dbraw/zinc/92/43/10/604924310.db2.gz IJXUHQRNLRRENQ-HUUCEWRRSA-N 0 1 399.495 3.379 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828161022 604927855 /nfs/dbraw/zinc/92/78/55/604927855.db2.gz LQSYGESLTCKMDU-HZSPNIEDSA-N 0 1 397.903 3.291 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1Cl ZINC000833255794 604929809 /nfs/dbraw/zinc/92/98/09/604929809.db2.gz KRNZNBGMHSHTEE-UHFFFAOYSA-N 0 1 395.887 3.286 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000833421685 604932366 /nfs/dbraw/zinc/93/23/66/604932366.db2.gz YGAMYNVHXWVMST-LBPRGKRZSA-N 0 1 388.386 3.347 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833667904 604932679 /nfs/dbraw/zinc/93/26/79/604932679.db2.gz LIOMEBWYEFKWBN-QAPCUYQASA-N 0 1 389.883 3.412 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833667904 604932683 /nfs/dbraw/zinc/93/26/83/604932683.db2.gz LIOMEBWYEFKWBN-QAPCUYQASA-N 0 1 389.883 3.412 20 0 GGADMN Cc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740181 604933550 /nfs/dbraw/zinc/93/35/50/604933550.db2.gz OHURLGBDFRSGCS-RHSMWYFYSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740181 604933555 /nfs/dbraw/zinc/93/35/55/604933555.db2.gz OHURLGBDFRSGCS-RHSMWYFYSA-N 0 1 375.856 3.158 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000322109071 604935955 /nfs/dbraw/zinc/93/59/55/604935955.db2.gz XEOUJGWUASEYGM-LBPRGKRZSA-N 0 1 383.286 3.210 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000322109071 604935958 /nfs/dbraw/zinc/93/59/58/604935958.db2.gz XEOUJGWUASEYGM-LBPRGKRZSA-N 0 1 383.286 3.210 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409929 604937033 /nfs/dbraw/zinc/93/70/33/604937033.db2.gz SWEQTSLJRKIUOY-SJORKVTESA-N 0 1 387.524 3.437 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000833420898 604937055 /nfs/dbraw/zinc/93/70/55/604937055.db2.gz BQODPPSIWSBPOX-IBGZPJMESA-N 0 1 386.536 3.437 20 0 GGADMN CC(C)[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCCCC1 ZINC000833497337 604940729 /nfs/dbraw/zinc/94/07/29/604940729.db2.gz KKURSLSISDWYIP-FQEVSTJZSA-N 0 1 385.508 3.323 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409564 604942243 /nfs/dbraw/zinc/94/22/43/604942243.db2.gz OVIKLRPFZHDOHI-CHWSQXEVSA-N 0 1 384.423 3.438 20 0 GGADMN CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833505882 604946179 /nfs/dbraw/zinc/94/61/79/604946179.db2.gz WLSFRSVVOFMGSS-IBGZPJMESA-N 0 1 390.524 3.051 20 0 GGADMN C[C@@H](c1ccco1)[N@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CC1 ZINC000833548137 604957163 /nfs/dbraw/zinc/95/71/63/604957163.db2.gz ANELOVKLSYLKDZ-IFXJQAMLSA-N 0 1 395.459 3.098 20 0 GGADMN C[C@@H](c1ccco1)[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CC1 ZINC000833548137 604957165 /nfs/dbraw/zinc/95/71/65/604957165.db2.gz ANELOVKLSYLKDZ-IFXJQAMLSA-N 0 1 395.459 3.098 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C)c(C(=O)[O-])c1C ZINC000831474681 604958531 /nfs/dbraw/zinc/95/85/31/604958531.db2.gz CZMOIPRIBFUJIL-NSHDSACASA-N 0 1 384.498 3.236 20 0 GGADMN C[C@H](OC[C@H](O)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000568520572 604961433 /nfs/dbraw/zinc/96/14/33/604961433.db2.gz GYHYXRYEBHOVOO-GSIXPNJASA-N 0 1 381.900 3.496 20 0 GGADMN C[C@H](OC[C@H](O)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000568520573 604961556 /nfs/dbraw/zinc/96/15/56/604961556.db2.gz GYHYXRYEBHOVOO-KJPFHJLXSA-N 0 1 381.900 3.496 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000832777057 604962287 /nfs/dbraw/zinc/96/22/87/604962287.db2.gz BQMASYNKTSSYOC-NXHRZFHOSA-N 0 1 376.522 3.085 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000832777055 604962416 /nfs/dbraw/zinc/96/24/16/604962416.db2.gz BQMASYNKTSSYOC-NJAFHUGGSA-N 0 1 376.522 3.085 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000833172424 604963263 /nfs/dbraw/zinc/96/32/63/604963263.db2.gz VGUINNCIZWYHRF-OCCSQVGLSA-N 0 1 377.699 3.277 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000833172424 604963266 /nfs/dbraw/zinc/96/32/66/604963266.db2.gz VGUINNCIZWYHRF-OCCSQVGLSA-N 0 1 377.699 3.277 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000248562491 604963316 /nfs/dbraw/zinc/96/33/16/604963316.db2.gz OBNYROXPBYASKG-KCXAZCMYSA-N 0 1 375.400 3.005 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000833684566 604968572 /nfs/dbraw/zinc/96/85/72/604968572.db2.gz JELZUUDQNSKZTC-KNQAVFIVSA-N 0 1 384.451 3.313 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cs1)c1ccccc1F ZINC000833394115 604969545 /nfs/dbraw/zinc/96/95/45/604969545.db2.gz YYZPBSMUZPTKDW-CQSZACIVSA-N 0 1 377.441 3.406 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cs1)c1ccccc1F ZINC000833394115 604969547 /nfs/dbraw/zinc/96/95/47/604969547.db2.gz YYZPBSMUZPTKDW-CQSZACIVSA-N 0 1 377.441 3.406 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000831800248 604980451 /nfs/dbraw/zinc/98/04/51/604980451.db2.gz JPBXCKOCKYBJAA-CYBMUJFWSA-N 0 1 383.901 3.369 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000831800248 604980454 /nfs/dbraw/zinc/98/04/54/604980454.db2.gz JPBXCKOCKYBJAA-CYBMUJFWSA-N 0 1 383.901 3.369 20 0 GGADMN COc1cccc(Nc2nn(C[N@@H+]3CCC[C@H]3CC(=O)[O-])c(=S)s2)c1 ZINC000832562232 604982205 /nfs/dbraw/zinc/98/22/05/604982205.db2.gz KWHDHIJGWQMREH-LBPRGKRZSA-N 0 1 380.495 3.323 20 0 GGADMN COc1cccc(Nc2nn(C[N@H+]3CCC[C@H]3CC(=O)[O-])c(=S)s2)c1 ZINC000832562232 604982207 /nfs/dbraw/zinc/98/22/07/604982207.db2.gz KWHDHIJGWQMREH-LBPRGKRZSA-N 0 1 380.495 3.323 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000828259308 604983198 /nfs/dbraw/zinc/98/31/98/604983198.db2.gz XRCZBDOENQFEBV-LSDHHAIUSA-N 0 1 394.541 3.279 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000828259306 604983226 /nfs/dbraw/zinc/98/32/26/604983226.db2.gz XRCZBDOENQFEBV-GJZGRUSLSA-N 0 1 394.541 3.279 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000833417279 604985381 /nfs/dbraw/zinc/98/53/81/604985381.db2.gz OEPBWYLXMSXWII-OALUTQOASA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000833415889 604999877 /nfs/dbraw/zinc/99/98/77/604999877.db2.gz VIBRPTYBWMGOBX-ZWKOTPCHSA-N 0 1 390.549 3.126 20 0 GGADMN CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000652372137 605042014 /nfs/dbraw/zinc/04/20/14/605042014.db2.gz SAYPRRQEGPXJCP-IBGZPJMESA-N 0 1 397.431 3.000 20 0 GGADMN CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000652372137 605042017 /nfs/dbraw/zinc/04/20/17/605042017.db2.gz SAYPRRQEGPXJCP-IBGZPJMESA-N 0 1 397.431 3.000 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000833615256 605048304 /nfs/dbraw/zinc/04/83/04/605048304.db2.gz LWHQUXDMAJWENI-MRXNPFEDSA-N 0 1 394.537 3.050 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000833693442 605065878 /nfs/dbraw/zinc/06/58/78/605065878.db2.gz XRKPMXPBNJKPTM-MRXNPFEDSA-N 0 1 376.497 3.393 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000833505977 605074177 /nfs/dbraw/zinc/07/41/77/605074177.db2.gz PSAIJZFLYLLCPN-LBPRGKRZSA-N 0 1 396.228 3.361 20 0 GGADMN CCC(CC)(CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000382622197 605096534 /nfs/dbraw/zinc/09/65/34/605096534.db2.gz FKWWDIOEMROTAL-KRWDZBQOSA-N 0 1 375.513 3.183 20 0 GGADMN C/C(=C\C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000833383079 605101434 /nfs/dbraw/zinc/10/14/34/605101434.db2.gz QXCSQYRPAADIQJ-UELRPHRMSA-N 0 1 384.398 3.116 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000833623935 605102452 /nfs/dbraw/zinc/10/24/52/605102452.db2.gz HEZYAZLJBBWREY-CQSZACIVSA-N 0 1 388.414 3.253 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cncc(C(=O)[O-])c3)cc2)C1 ZINC000833593780 605103124 /nfs/dbraw/zinc/10/31/24/605103124.db2.gz ZDQCGKSNEPYVBX-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833440458 605103320 /nfs/dbraw/zinc/10/33/20/605103320.db2.gz YVDXZQNJUFVCOE-YOEHRIQHSA-N 0 1 377.485 3.324 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833440456 605103420 /nfs/dbraw/zinc/10/34/20/605103420.db2.gz YVDXZQNJUFVCOE-RHSMWYFYSA-N 0 1 377.485 3.324 20 0 GGADMN C[C@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000833513972 605110348 /nfs/dbraw/zinc/11/03/48/605110348.db2.gz MCOHAQRDVNMDSI-KGLIPLIRSA-N 0 1 386.414 3.206 20 0 GGADMN CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833651584 605113763 /nfs/dbraw/zinc/11/37/63/605113763.db2.gz QRMYNOJMVBCVMH-UHFFFAOYSA-N 0 1 375.494 3.291 20 0 GGADMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c(C)n1C1CCCCC1 ZINC000833742826 605116476 /nfs/dbraw/zinc/11/64/76/605116476.db2.gz XIRDKTKDHXSXPD-MRXNPFEDSA-N 0 1 375.513 3.231 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833488249 605125134 /nfs/dbraw/zinc/12/51/34/605125134.db2.gz LBBARGBHALKXAD-QZTJIDSGSA-N 0 1 375.513 3.258 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833616430 605129809 /nfs/dbraw/zinc/12/98/09/605129809.db2.gz ZRBLUYINWVAHQE-NSHDSACASA-N 0 1 384.274 3.143 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833487238 605132327 /nfs/dbraw/zinc/13/23/27/605132327.db2.gz HJJIAWZZNOZFSC-CYBMUJFWSA-N 0 1 398.301 3.389 20 0 GGADMN CCC(CC)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1cccs1 ZINC000833642399 605138399 /nfs/dbraw/zinc/13/83/99/605138399.db2.gz NIBUWSINXIYFDB-KDOFPFPSSA-N 0 1 381.542 3.416 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000414596193 605144856 /nfs/dbraw/zinc/14/48/56/605144856.db2.gz BNYSZOREKAJLLA-FXAWDEMLSA-N 0 1 395.503 3.485 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1Cc1ccccc1 ZINC000833592359 605147737 /nfs/dbraw/zinc/14/77/37/605147737.db2.gz QIZZLHZIQGVPND-MJGOQNOKSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(OCC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000659760890 605152353 /nfs/dbraw/zinc/15/23/53/605152353.db2.gz UKOAQSCGCBZRQJ-MJGOQNOKSA-N 0 1 396.487 3.181 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833624245 605157081 /nfs/dbraw/zinc/15/70/81/605157081.db2.gz SMQUBMMHUSQSDS-IAGOWNOFSA-N 0 1 381.476 3.440 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@@H]1C ZINC000833658000 605159728 /nfs/dbraw/zinc/15/97/28/605159728.db2.gz PGVUCXRTBMJPDX-GJZGRUSLSA-N 0 1 379.526 3.341 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000833621888 605160549 /nfs/dbraw/zinc/16/05/49/605160549.db2.gz OPFBETTTZUEVKR-GOSISDBHSA-N 0 1 380.488 3.000 20 0 GGADMN CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000833636033 605163629 /nfs/dbraw/zinc/16/36/29/605163629.db2.gz FDLXSRXJJZMYKQ-CZUORRHYSA-N 0 1 386.414 3.206 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Br)cc2C(=O)[O-])C[C@@H]1C ZINC000833656752 605164879 /nfs/dbraw/zinc/16/48/79/605164879.db2.gz KHPKRULBVGPPCZ-QWRGUYRKSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592771 605165549 /nfs/dbraw/zinc/16/55/49/605165549.db2.gz TWKRJAFFTFHALG-PXNSSMCTSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592773 605165731 /nfs/dbraw/zinc/16/57/31/605165731.db2.gz TWKRJAFFTFHALG-XLIONFOSSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc2ccccc2cc1OC(F)F ZINC000833626731 605166276 /nfs/dbraw/zinc/16/62/76/605166276.db2.gz RUPUVQNNJACXLM-ZDUSSCGKSA-N 0 1 392.402 3.062 20 0 GGADMN Cc1ccc(-c2ncc(C(=O)N3CC[N@@H+](CCC(=O)[O-])C[C@@H]3C)s2)c(C)c1 ZINC000833746632 605167356 /nfs/dbraw/zinc/16/73/56/605167356.db2.gz MDCDITDRNFBNCX-HNNXBMFYSA-N 0 1 387.505 3.048 20 0 GGADMN Cc1ccc(-c2ncc(C(=O)N3CC[N@H+](CCC(=O)[O-])C[C@@H]3C)s2)c(C)c1 ZINC000833746632 605167357 /nfs/dbraw/zinc/16/73/57/605167357.db2.gz MDCDITDRNFBNCX-HNNXBMFYSA-N 0 1 387.505 3.048 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1)[NH+]1CCOCC1 ZINC000833548578 605168546 /nfs/dbraw/zinc/16/85/46/605168546.db2.gz PMUWBUCJDLSRNF-INIZCTEOSA-N 0 1 389.496 3.379 20 0 GGADMN CC(C)([NH2+]CC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1Br ZINC000833461421 605172177 /nfs/dbraw/zinc/17/21/77/605172177.db2.gz VJWUPRXAMLPMBA-UHFFFAOYSA-N 0 1 397.313 3.178 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)Nc2cncc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833591041 605181219 /nfs/dbraw/zinc/18/12/19/605181219.db2.gz KNTKJNJIBWTVEZ-WBVHZDCISA-N 0 1 382.464 3.202 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)Nc2cncc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833591039 605181598 /nfs/dbraw/zinc/18/15/98/605181598.db2.gz KNTKJNJIBWTVEZ-NVXWUHKLSA-N 0 1 382.464 3.202 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000833499124 605185853 /nfs/dbraw/zinc/18/58/53/605185853.db2.gz SATCNXIXQJEAMN-SFHVURJKSA-N 0 1 391.512 3.451 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000833499121 605185892 /nfs/dbraw/zinc/18/58/92/605185892.db2.gz SATCNXIXQJEAMN-GOSISDBHSA-N 0 1 391.512 3.451 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@]3(C)CCCO)c2C(=O)[O-])C1 ZINC000833616722 605193121 /nfs/dbraw/zinc/19/31/21/605193121.db2.gz FIYMTGIZHCUMLH-XCLFUZPHSA-N 0 1 394.537 3.137 20 0 GGADMN Cc1nc(C)n([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000833755442 605205266 /nfs/dbraw/zinc/20/52/66/605205266.db2.gz NEVLPCXRADCXBR-HOTGVXAUSA-N 0 1 393.285 3.120 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833462471 605209178 /nfs/dbraw/zinc/20/91/78/605209178.db2.gz BSYKSFFHTNHPRT-HNNXBMFYSA-N 0 1 385.464 3.024 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833462471 605209181 /nfs/dbraw/zinc/20/91/81/605209181.db2.gz BSYKSFFHTNHPRT-HNNXBMFYSA-N 0 1 385.464 3.024 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)C2)n1 ZINC000833755669 605209839 /nfs/dbraw/zinc/20/98/39/605209839.db2.gz WRFLRFOSZVBZRY-INIZCTEOSA-N 0 1 395.463 3.160 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833693588 605210484 /nfs/dbraw/zinc/21/04/84/605210484.db2.gz GDEXYPUALOYCKI-CYBMUJFWSA-N 0 1 387.274 3.031 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263198481 605213337 /nfs/dbraw/zinc/21/33/37/605213337.db2.gz HCPGPGPEXXRIQT-WBVHZDCISA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263198481 605213341 /nfs/dbraw/zinc/21/33/41/605213341.db2.gz HCPGPGPEXXRIQT-WBVHZDCISA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CCOc3ccccc3C(=O)[O-])C2)o1 ZINC000768786480 605213352 /nfs/dbraw/zinc/21/33/52/605213352.db2.gz WUCRHBOUVVVQLR-INIZCTEOSA-N 0 1 387.480 3.081 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000833696658 605215662 /nfs/dbraw/zinc/21/56/62/605215662.db2.gz QSGMMKJLLBWNQJ-INIZCTEOSA-N 0 1 382.229 3.452 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000833600683 605217846 /nfs/dbraw/zinc/21/78/46/605217846.db2.gz MSTDHPWZRFWOJR-HUUCEWRRSA-N 0 1 378.469 3.141 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1C(=O)[O-] ZINC000833436260 605222266 /nfs/dbraw/zinc/22/22/66/605222266.db2.gz FGQJUUXHSTURFH-CVEARBPZSA-N 0 1 378.444 3.498 20 0 GGADMN CN1CC[C@H](NC2CC[NH+](CCCC(=O)[O-])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697078 605228045 /nfs/dbraw/zinc/22/80/45/605228045.db2.gz CVWWWTROFMVNHK-ICSRJNTNSA-N 0 1 397.922 3.143 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833499650 605233441 /nfs/dbraw/zinc/23/34/41/605233441.db2.gz LEZILXLZYNMOSL-LSDHHAIUSA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833499650 605233445 /nfs/dbraw/zinc/23/34/45/605233445.db2.gz LEZILXLZYNMOSL-LSDHHAIUSA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)CCCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500458 605234576 /nfs/dbraw/zinc/23/45/76/605234576.db2.gz RDYLPNAPKAQGJJ-DOTOQJQBSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)CCCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500458 605234578 /nfs/dbraw/zinc/23/45/78/605234578.db2.gz RDYLPNAPKAQGJJ-DOTOQJQBSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCNC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833500463 605234739 /nfs/dbraw/zinc/23/47/39/605234739.db2.gz RDYLPNAPKAQGJJ-WBVHZDCISA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)CCCNC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833500463 605234740 /nfs/dbraw/zinc/23/47/40/605234740.db2.gz RDYLPNAPKAQGJJ-WBVHZDCISA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500459 605234799 /nfs/dbraw/zinc/23/47/99/605234799.db2.gz RDYLPNAPKAQGJJ-NVXWUHKLSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)CCCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500459 605234801 /nfs/dbraw/zinc/23/48/01/605234801.db2.gz RDYLPNAPKAQGJJ-NVXWUHKLSA-N 0 1 385.867 3.167 20 0 GGADMN C[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C1(C(=O)[O-])CCCC1 ZINC000833694001 605242158 /nfs/dbraw/zinc/24/21/58/605242158.db2.gz DVAKIQZENKLWBC-UHFFFAOYSA-N 0 1 384.270 3.440 20 0 GGADMN C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694175 605242224 /nfs/dbraw/zinc/24/22/24/605242224.db2.gz CKMHQOZADFLQMU-GOSISDBHSA-N 0 1 393.317 3.174 20 0 GGADMN 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C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833626812 605255257 /nfs/dbraw/zinc/25/52/57/605255257.db2.gz ZSTAOLLMUCINHX-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833619124 605256134 /nfs/dbraw/zinc/25/61/34/605256134.db2.gz SLQWSSFPSAQOTN-KWCYVHTRSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833619121 605256222 /nfs/dbraw/zinc/25/62/22/605256222.db2.gz SLQWSSFPSAQOTN-BNOWGMLFSA-N 0 1 385.291 3.104 20 0 GGADMN CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000833455329 605261050 /nfs/dbraw/zinc/26/10/50/605261050.db2.gz XJSJEJQZLCAIPP-HNNXBMFYSA-N 0 1 386.414 3.287 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Cc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000833591356 605263413 /nfs/dbraw/zinc/26/34/13/605263413.db2.gz LCFSPGZUDGRNEI-PKOBYXMFSA-N 0 1 380.488 3.344 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463663 605264291 /nfs/dbraw/zinc/26/42/91/605264291.db2.gz PCTXAXSGWSEKCM-CZUORRHYSA-N 0 1 386.414 3.315 20 0 GGADMN C[C@]1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC[C@H]1C(=O)[O-] ZINC000833566620 605273063 /nfs/dbraw/zinc/27/30/63/605273063.db2.gz BQVIUSFTWLWTAS-MDKPJZGXSA-N 0 1 376.472 3.187 20 0 GGADMN C/C(=C\C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000833383934 605275870 /nfs/dbraw/zinc/27/58/70/605275870.db2.gz VZIFBOVTIUCABP-JWAFFJSPSA-N 0 1 384.398 3.116 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833442536 605295840 /nfs/dbraw/zinc/29/58/40/605295840.db2.gz PXWHXJDSSRCDLI-INIZCTEOSA-N 0 1 378.469 3.029 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833547446 605296069 /nfs/dbraw/zinc/29/60/69/605296069.db2.gz DKJBSSPVVPPVFK-HNNXBMFYSA-N 0 1 390.430 3.307 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C2CC2)C1 ZINC000833436198 605298628 /nfs/dbraw/zinc/29/86/28/605298628.db2.gz FZYMGDCYBIWJJY-QGZVFWFLSA-N 0 1 390.480 3.124 20 0 GGADMN CCC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000833651383 605357653 /nfs/dbraw/zinc/35/76/53/605357653.db2.gz ZTIIZNOOSXRCSD-INIZCTEOSA-N 0 1 382.501 3.245 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)O1 ZINC000833581316 605360701 /nfs/dbraw/zinc/36/07/01/605360701.db2.gz WMCITWQVZIRYCQ-MRXNPFEDSA-N 0 1 393.871 3.027 20 0 GGADMN CC(C)(NC(=O)[O-])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000833460494 605368709 /nfs/dbraw/zinc/36/87/09/605368709.db2.gz ACGGTVRGANSUAP-UHFFFAOYSA-N 0 1 388.295 3.120 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583608 605369516 /nfs/dbraw/zinc/36/95/16/605369516.db2.gz JEGMVPHUZGGJJC-QWRGUYRKSA-N 0 1 376.400 3.489 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000833405339 605392580 /nfs/dbraw/zinc/39/25/80/605392580.db2.gz ZLTJZIZUYSRWBW-CVEARBPZSA-N 0 1 376.472 3.107 20 0 GGADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000833691321 605394316 /nfs/dbraw/zinc/39/43/16/605394316.db2.gz AKOGBPLBQLNQFR-QMTHXVAHSA-N 0 1 389.279 3.113 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCC2(C(=O)[O-])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000833601892 605404369 /nfs/dbraw/zinc/40/43/69/605404369.db2.gz XJELSXKLCSHUTO-IEBWSBKVSA-N 0 1 387.524 3.374 20 0 GGADMN C[C@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522006 605413288 /nfs/dbraw/zinc/41/32/88/605413288.db2.gz DBCCAHFEOZAVKQ-HKUYNNGSSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263368921 605419503 /nfs/dbraw/zinc/41/95/03/605419503.db2.gz XGOGFLLACXXDNC-UZLBHIALSA-N 0 1 381.476 3.095 20 0 GGADMN C[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522331 605423110 /nfs/dbraw/zinc/42/31/10/605423110.db2.gz JPSNIECCGYUKJO-UWJYYQICSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405306 605424675 /nfs/dbraw/zinc/42/46/75/605424675.db2.gz YYYZRCCHKJHYRY-BBRMVZONSA-N 0 1 398.425 3.206 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3CC(=O)[O-])C[C@@H]21 ZINC000833439216 605428218 /nfs/dbraw/zinc/42/82/18/605428218.db2.gz PRIXWCGSSQUSIL-GBESFXJTSA-N 0 1 388.508 3.439 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000635515810 605434500 /nfs/dbraw/zinc/43/45/00/605434500.db2.gz WUDROIPRUOPTGL-FUHWJXTLSA-N 0 1 383.439 3.043 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000635515810 605434503 /nfs/dbraw/zinc/43/45/03/605434503.db2.gz WUDROIPRUOPTGL-FUHWJXTLSA-N 0 1 383.439 3.043 20 0 GGADMN 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C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522987 605457169 /nfs/dbraw/zinc/45/71/69/605457169.db2.gz VHURAZACUWGNMD-LAUBAEHRSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2)C[C@@H](C)O1 ZINC000833629193 605467677 /nfs/dbraw/zinc/46/76/77/605467677.db2.gz GJGAUPSUUKTKBS-IAGOWNOFSA-N 0 1 388.508 3.061 20 0 GGADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833463373 605474163 /nfs/dbraw/zinc/47/41/63/605474163.db2.gz RPKTXAYWFSIKFI-UHFFFAOYSA-N 0 1 396.487 3.085 20 0 GGADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000833462784 605474525 /nfs/dbraw/zinc/47/45/25/605474525.db2.gz JUOSRUITCRHVHA-UHFFFAOYSA-N 0 1 383.448 3.158 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000833669159 605478485 /nfs/dbraw/zinc/47/84/85/605478485.db2.gz YUWRVJJOPIUWDH-NVXWUHKLSA-N 0 1 383.492 3.224 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833521167 605481395 /nfs/dbraw/zinc/48/13/95/605481395.db2.gz LMTQTDSPBKTBQH-VQIMIIECSA-N 0 1 381.476 3.346 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647739162 605482763 /nfs/dbraw/zinc/48/27/63/605482763.db2.gz CRIQMAMUFJLFBX-AEFFLSMTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647739162 605482767 /nfs/dbraw/zinc/48/27/67/605482767.db2.gz CRIQMAMUFJLFBX-AEFFLSMTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000833480659 605484314 /nfs/dbraw/zinc/48/43/14/605484314.db2.gz RLXQULLBVKMDEW-SQNIBIBYSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000833480659 605484317 /nfs/dbraw/zinc/48/43/17/605484317.db2.gz RLXQULLBVKMDEW-SQNIBIBYSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833499272 605485115 /nfs/dbraw/zinc/48/51/15/605485115.db2.gz KPSACOIDWVOEBF-MSOLQXFVSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833499272 605485117 /nfs/dbraw/zinc/48/51/17/605485117.db2.gz KPSACOIDWVOEBF-MSOLQXFVSA-N 0 1 389.402 3.012 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+](C)CCc3ccncc3)c2C(=O)[O-])C1 ZINC000833616921 605546884 /nfs/dbraw/zinc/54/68/84/605546884.db2.gz KICGAAMATDTINE-ZDUSSCGKSA-N 0 1 387.505 3.079 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+](C)CCc3ccncc3)c2C(=O)[O-])C1 ZINC000833616921 605546887 /nfs/dbraw/zinc/54/68/87/605546887.db2.gz KICGAAMATDTINE-ZDUSSCGKSA-N 0 1 387.505 3.079 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000833419552 605553186 /nfs/dbraw/zinc/55/31/86/605553186.db2.gz GJYUCKNRSFFYBX-LBPRGKRZSA-N 0 1 380.286 3.420 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833471444 605554780 /nfs/dbraw/zinc/55/47/80/605554780.db2.gz LEAUEUDNOOFTCK-QGZVFWFLSA-N 0 1 379.526 3.198 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833615164 605624802 /nfs/dbraw/zinc/62/48/02/605624802.db2.gz JBXCVQAHXYKVFD-OAHLLOKOSA-N 0 1 388.512 3.111 20 0 GGADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000833694368 605844195 /nfs/dbraw/zinc/84/41/95/605844195.db2.gz HSZNWHYQDDMPCK-MRXNPFEDSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000833694368 605844199 /nfs/dbraw/zinc/84/41/99/605844199.db2.gz HSZNWHYQDDMPCK-MRXNPFEDSA-N 0 1 382.229 3.452 20 0 GGADMN C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000833520244 605863752 /nfs/dbraw/zinc/86/37/52/605863752.db2.gz BZOCCLMUQFJVLZ-RYUDHWBXSA-N 0 1 381.423 3.438 20 0 GGADMN CCCc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000833652467 605864841 /nfs/dbraw/zinc/86/48/41/605864841.db2.gz CBPBZOFZXNHNDM-ZFWWWQNUSA-N 0 1 375.513 3.357 20 0 GGADMN Cc1ccnc(NC[C@H]2CCN(c3nc4ccccc4cc3-c3nn[nH]n3)C2)c1 ZINC000822373866 606068552 /nfs/dbraw/zinc/06/85/52/606068552.db2.gz FKBAJSTUTCDEOJ-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN Cc1sc(NC(=O)CN2CC[C@H](c3ccccc3C)C2)c(-c2nn[nH]n2)c1C ZINC000822351933 606109703 /nfs/dbraw/zinc/10/97/03/606109703.db2.gz RRHOSGPKHHFVHE-HNNXBMFYSA-N 0 1 396.520 3.281 20 0 GGADMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820913281 606112929 /nfs/dbraw/zinc/11/29/29/606112929.db2.gz FCRJMMYZOQHUCE-INIZCTEOSA-N 0 1 398.536 3.437 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)CC2(C)C)c1-c1nn[n-]n1 ZINC000822015161 606114678 /nfs/dbraw/zinc/11/46/78/606114678.db2.gz FEZHOXSIYGUOIQ-CYBMUJFWSA-N 0 1 399.543 3.459 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)c1-c1nn[n-]n1 ZINC000822015161 606114680 /nfs/dbraw/zinc/11/46/80/606114680.db2.gz FEZHOXSIYGUOIQ-CYBMUJFWSA-N 0 1 399.543 3.459 20 0 GGADMN O=C(Nc1cccc(CNCc2cc(-c3nn[nH]n3)cs2)c1)C1CCCC1 ZINC000823364071 606211828 /nfs/dbraw/zinc/21/18/28/606211828.db2.gz YFFWYEVWGLRYIT-UHFFFAOYSA-N 0 1 382.493 3.347 20 0 GGADMN c1sc(CNCc2ccnc(OCc3ccccc3)c2)cc1-c1nn[nH]n1 ZINC000823788295 606212427 /nfs/dbraw/zinc/21/24/27/606212427.db2.gz XNFZXFRTTQYMJD-UHFFFAOYSA-N 0 1 378.461 3.192 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(Cl)cc1 ZINC000820421052 606296001 /nfs/dbraw/zinc/29/60/01/606296001.db2.gz ZZSUUMCKMVSBON-YGRLFVJLSA-N 0 1 388.884 3.038 20 0 GGADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Br)c(F)c1 ZINC000821610057 606373594 /nfs/dbraw/zinc/37/35/94/606373594.db2.gz YICWLQFCJIMGIC-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cccc(-c2nn[nH]n2)c1 ZINC000823299112 606379753 /nfs/dbraw/zinc/37/97/53/606379753.db2.gz IDVDKJXRSFKXPZ-UHFFFAOYSA-N 0 1 394.616 3.241 20 0 GGADMN COc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)ccc1OCC(F)(F)F ZINC000821717208 606407366 /nfs/dbraw/zinc/40/73/66/606407366.db2.gz LFIGLKISHRMSMO-UHFFFAOYSA-N 0 1 399.398 3.168 20 0 GGADMN COc1cc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)ccc1OCC(F)(F)F ZINC000821717208 606407368 /nfs/dbraw/zinc/40/73/68/606407368.db2.gz LFIGLKISHRMSMO-UHFFFAOYSA-N 0 1 399.398 3.168 20 0 GGADMN CCN(CC)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccc(OC)c1 ZINC000821182729 606407690 /nfs/dbraw/zinc/40/76/90/606407690.db2.gz YBHLVBJJIKNGCI-KRWDZBQOSA-N 0 1 386.525 3.110 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000823767669 606415736 /nfs/dbraw/zinc/41/57/36/606415736.db2.gz VIZJLHKDHAKNSJ-UHFFFAOYSA-N 0 1 383.477 3.259 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000823767669 606415738 /nfs/dbraw/zinc/41/57/38/606415738.db2.gz VIZJLHKDHAKNSJ-UHFFFAOYSA-N 0 1 383.477 3.259 20 0 GGADMN Clc1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc1-c1nnn[n-]1 ZINC000822578843 606440382 /nfs/dbraw/zinc/44/03/82/606440382.db2.gz RAYNYKVCWUAOAF-GFCCVEGCSA-N 0 1 375.889 3.226 20 0 GGADMN Clc1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc1-c1nn[n-]n1 ZINC000822578843 606440383 /nfs/dbraw/zinc/44/03/83/606440383.db2.gz RAYNYKVCWUAOAF-GFCCVEGCSA-N 0 1 375.889 3.226 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820709447 606512811 /nfs/dbraw/zinc/51/28/11/606512811.db2.gz IRVMPXFEPFBOJT-CYBMUJFWSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820709447 606512812 /nfs/dbraw/zinc/51/28/12/606512812.db2.gz IRVMPXFEPFBOJT-CYBMUJFWSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820709447 606512813 /nfs/dbraw/zinc/51/28/13/606512813.db2.gz IRVMPXFEPFBOJT-CYBMUJFWSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820709447 606512814 /nfs/dbraw/zinc/51/28/14/606512814.db2.gz IRVMPXFEPFBOJT-CYBMUJFWSA-N 0 1 382.493 3.412 20 0 GGADMN CCN(C(=O)c1cc(-c2nn[nH]n2)cs1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000821154839 606538637 /nfs/dbraw/zinc/53/86/37/606538637.db2.gz STBNPBGGXYIFRI-YOEHRIQHSA-N 0 1 396.520 3.226 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)s4)C3)[nH]c2c1 ZINC000822271043 606594342 /nfs/dbraw/zinc/59/43/42/606594342.db2.gz JZMNMLXQWFKNTP-GFCCVEGCSA-N 0 1 393.476 3.133 20 0 GGADMN Cc1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000822238643 606713196 /nfs/dbraw/zinc/71/31/96/606713196.db2.gz PDOHDUNEBHMSML-SJORKVTESA-N 0 1 393.491 3.441 20 0 GGADMN Fc1ccc([C@H]2CCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cc1 ZINC000822767285 606717237 /nfs/dbraw/zinc/71/72/37/606717237.db2.gz ZYKDZKDIJYRXSM-INIZCTEOSA-N 0 1 391.410 3.045 20 0 GGADMN Fc1ccc([C@@H]2CCN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cc1 ZINC000822766486 606717440 /nfs/dbraw/zinc/71/74/40/606717440.db2.gz KLKCEXVASWVRTC-MRXNPFEDSA-N 0 1 391.410 3.045 20 0 GGADMN COc1ccc(CNCc2ccc(C)cc2OCC2CC2)cc1-c1nn[nH]n1 ZINC000821818625 606726580 /nfs/dbraw/zinc/72/65/80/606726580.db2.gz VPERUNARTZWYNW-UHFFFAOYSA-N 0 1 379.464 3.262 20 0 GGADMN CC1CCN(CC(=O)Nc2ccc(Oc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000820722819 606805985 /nfs/dbraw/zinc/80/59/85/606805985.db2.gz PJMDWYSPRPKGIG-UHFFFAOYSA-N 0 1 392.463 3.329 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2NCc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820759974 606926773 /nfs/dbraw/zinc/92/67/73/606926773.db2.gz OSYZLRAIDQUEHI-GASCZTMLSA-N 0 1 396.470 3.227 20 0 GGADMN C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821609790 606959982 /nfs/dbraw/zinc/95/99/82/606959982.db2.gz LXXTVSCXXCTDKA-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821609790 606959983 /nfs/dbraw/zinc/95/99/83/606959983.db2.gz LXXTVSCXXCTDKA-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Cc1ccc(C(=O)C2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822225338 606964723 /nfs/dbraw/zinc/96/47/23/606964723.db2.gz ZEPZXFBVJBMPFN-UHFFFAOYSA-N 0 1 379.439 3.409 20 0 GGADMN CCCN(Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821109503 606965755 /nfs/dbraw/zinc/96/57/55/606965755.db2.gz KYOFLVQWZQHNRE-AWEZNQCLSA-N 0 1 382.443 3.245 20 0 GGADMN Fc1cccc(CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]2CCCO2)c1 ZINC000822787315 606966570 /nfs/dbraw/zinc/96/65/70/606966570.db2.gz XYEAIWPVXPPQOQ-KRWDZBQOSA-N 0 1 385.418 3.326 20 0 GGADMN COc1ccc([C@H]2CCCN2Cc2cc(F)ccc2-c2nn[nH]n2)cc1OC ZINC000821786896 607066500 /nfs/dbraw/zinc/06/65/00/607066500.db2.gz KZWKVOKKTKJJHL-QGZVFWFLSA-N 0 1 383.427 3.360 20 0 GGADMN Cc1cc(C[C@@H](C)Nc2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)[nH]n1 ZINC000822200053 607130507 /nfs/dbraw/zinc/13/05/07/607130507.db2.gz SFOLWJQMSVAUNF-GFCCVEGCSA-N 0 1 387.451 3.051 20 0 GGADMN CC1(C)CCC(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820589435 607191681 /nfs/dbraw/zinc/19/16/81/607191681.db2.gz FOFVEMRNCLSGPP-UHFFFAOYSA-N 0 1 396.539 3.117 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1cccs1 ZINC000821579736 607195934 /nfs/dbraw/zinc/19/59/34/607195934.db2.gz MBBSVMWDZAXVNP-CYBMUJFWSA-N 0 1 391.888 3.006 20 0 GGADMN COc1cc(-c2nc3cc(-c4nn[nH]n4)ccc3[nH]2)ccc1OCC(F)(F)F ZINC000826167252 607974286 /nfs/dbraw/zinc/97/42/86/607974286.db2.gz WBUUTKWMZRBNAY-UHFFFAOYSA-N 0 1 390.325 3.360 20 0 GGADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccccc1C(=O)c1cccs1 ZINC000826450782 607997709 /nfs/dbraw/zinc/99/77/09/607997709.db2.gz DEZVTZUCMXBWNF-UHFFFAOYSA-N 0 1 391.412 3.117 20 0 GGADMN O=C(CN1CCCC[C@@H]1CCc1ccccc1)Nc1sccc1-c1nn[nH]n1 ZINC000826410487 608045771 /nfs/dbraw/zinc/04/57/71/608045771.db2.gz OYBPMNRCDAXWNW-MRXNPFEDSA-N 0 1 396.520 3.354 20 0 GGADMN CCC[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)cc1)N(C)C ZINC000825225468 608119886 /nfs/dbraw/zinc/11/98/86/608119886.db2.gz UBSIVVTWZUTMTB-KRWDZBQOSA-N 0 1 380.452 3.328 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000826289143 608232652 /nfs/dbraw/zinc/23/26/52/608232652.db2.gz LYCRAEASEVFDPE-UHFFFAOYSA-N 0 1 384.248 3.283 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000826173693 608262851 /nfs/dbraw/zinc/26/28/51/608262851.db2.gz PUNFWOGSNTWIEY-UHFFFAOYSA-N 0 1 385.497 3.409 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000826173693 608262852 /nfs/dbraw/zinc/26/28/52/608262852.db2.gz PUNFWOGSNTWIEY-UHFFFAOYSA-N 0 1 385.497 3.409 20 0 GGADMN Cc1ccc(-c2nn[nH]n2)c(NCc2ccccc2CN(C)Cc2ccco2)n1 ZINC000826277015 608291282 /nfs/dbraw/zinc/29/12/82/608291282.db2.gz GAJBPHFPRRQRAB-UHFFFAOYSA-N 0 1 389.463 3.407 20 0 GGADMN Cc1nn(-c2ccccc2)c(CN(Cc2ccco2)C(C)C)c1-c1nn[nH]n1 ZINC000826332039 608310231 /nfs/dbraw/zinc/31/02/31/608310231.db2.gz HSEOWDSHRCRTQM-UHFFFAOYSA-N 0 1 377.452 3.364 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC000825443403 608315067 /nfs/dbraw/zinc/31/50/67/608315067.db2.gz BUZBHWWXYIBPTI-HZPDHXFCSA-N 0 1 390.491 3.088 20 0 GGADMN COc1ccc(CN2CC(c3nc4ccccc4s3)C2)cc1-c1nn[nH]n1 ZINC000826193517 608320557 /nfs/dbraw/zinc/32/05/57/608320557.db2.gz GBNLINXGDMIJSL-UHFFFAOYSA-N 0 1 378.461 3.084 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000824910135 608369490 /nfs/dbraw/zinc/36/94/90/608369490.db2.gz VQHSMXQASNZSPQ-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000824910135 608369492 /nfs/dbraw/zinc/36/94/92/608369492.db2.gz VQHSMXQASNZSPQ-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824910135 608369494 /nfs/dbraw/zinc/36/94/94/608369494.db2.gz VQHSMXQASNZSPQ-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824910135 608369496 /nfs/dbraw/zinc/36/94/96/608369496.db2.gz VQHSMXQASNZSPQ-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000826169483 608372087 /nfs/dbraw/zinc/37/20/87/608372087.db2.gz UHXRWNCYZCTOFN-OAHLLOKOSA-N 0 1 383.477 3.174 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000826282774 608442958 /nfs/dbraw/zinc/44/29/58/608442958.db2.gz CCOLEONLZFEMDX-ZIAGYGMSSA-N 0 1 382.468 3.371 20 0 GGADMN CC(C)[NH+]1CCN(c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000824300036 608450809 /nfs/dbraw/zinc/45/08/09/608450809.db2.gz ACMXUHGTFISAAB-UHFFFAOYSA-N 0 1 383.525 3.071 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000826184094 608459016 /nfs/dbraw/zinc/45/90/16/608459016.db2.gz KWFAQVSQNCXFLV-CYBMUJFWSA-N 0 1 392.463 3.075 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000826169832 608459030 /nfs/dbraw/zinc/45/90/30/608459030.db2.gz GXWPZHJZBKCLLV-ZDUSSCGKSA-N 0 1 392.463 3.075 20 0 GGADMN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824039787 608460846 /nfs/dbraw/zinc/46/08/46/608460846.db2.gz HVUFQCVJTXPZAK-BBWFWOEESA-N 0 1 394.523 3.134 20 0 GGADMN CC(C)[C@@H](CNC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824562614 608462065 /nfs/dbraw/zinc/46/20/65/608462065.db2.gz HRXQWWWKFJVSRL-OXJNMPFZSA-N 0 1 392.507 3.073 20 0 GGADMN COc1ccc(OC)c(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826210768 608462671 /nfs/dbraw/zinc/46/26/71/608462671.db2.gz DIUIXVOTVCAGMD-UHFFFAOYSA-N 0 1 377.448 3.173 20 0 GGADMN c1cc2nsnc2c(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823868162 608463489 /nfs/dbraw/zinc/46/34/89/608463489.db2.gz PBSKIVQAFMYNBJ-UHFFFAOYSA-N 0 1 375.461 3.161 20 0 GGADMN C[C@@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553305 608463614 /nfs/dbraw/zinc/46/36/14/608463614.db2.gz BJLJOKPWUVPCQV-FOIQADDNSA-N 0 1 390.491 3.053 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563118 608466547 /nfs/dbraw/zinc/46/65/47/608466547.db2.gz LPUCRWJUWUOPMX-SNVBAGLBSA-N 0 1 391.262 3.463 20 0 GGADMN CCN(C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000825371809 608467990 /nfs/dbraw/zinc/46/79/90/608467990.db2.gz MJJCFKYTBXDQCZ-LSDHHAIUSA-N 0 1 396.470 3.266 20 0 GGADMN OCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000826509847 608469790 /nfs/dbraw/zinc/46/97/90/608469790.db2.gz MQXYBUQVXZXGDN-UHFFFAOYSA-N 0 1 396.253 3.307 20 0 GGADMN C[C@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)c(Cl)c1 ZINC000824562808 608471189 /nfs/dbraw/zinc/47/11/89/608471189.db2.gz IWNIZXGMLIAHFL-QMMMGPOBSA-N 0 1 380.836 3.010 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000824624637 608472723 /nfs/dbraw/zinc/47/27/23/608472723.db2.gz AUBCOBSQOACWIZ-NSHDSACASA-N 0 1 378.358 3.054 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000824624637 608472725 /nfs/dbraw/zinc/47/27/25/608472725.db2.gz AUBCOBSQOACWIZ-NSHDSACASA-N 0 1 378.358 3.054 20 0 GGADMN COc1ccc(CN(C)Cc2ccc(-c3nn[nH]n3)s2)cc1OC(F)F ZINC000826192991 608522283 /nfs/dbraw/zinc/52/22/83/608522283.db2.gz LDFZVUGOZNIWQR-UHFFFAOYSA-N 0 1 381.408 3.170 20 0 GGADMN Cc1cccc(Cl)c1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826298293 608532651 /nfs/dbraw/zinc/53/26/51/608532651.db2.gz MJZXPVNJHOQGDW-UHFFFAOYSA-N 0 1 382.855 3.046 20 0 GGADMN C[C@@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1C(F)(F)F ZINC000824562861 608537528 /nfs/dbraw/zinc/53/75/28/608537528.db2.gz KJMQUPHNONQENH-SECBINFHSA-N 0 1 396.398 3.236 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1OCCN[C@@H](C)c1c(F)cccc1Cl ZINC000826176143 608553770 /nfs/dbraw/zinc/55/37/70/608553770.db2.gz CYGXAZPJOVDBRV-NSHDSACASA-N 0 1 391.834 3.397 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824507399 608561916 /nfs/dbraw/zinc/56/19/16/608561916.db2.gz XFHSBQIAOCUYOK-IUODEOHRSA-N 0 1 392.529 3.196 20 0 GGADMN CCOC(=O)c1ccc(CN(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)o1 ZINC000825560914 608570223 /nfs/dbraw/zinc/57/02/23/608570223.db2.gz XILFFTCPBDXUJT-UHFFFAOYSA-N 0 1 383.452 3.295 20 0 GGADMN Fc1ccc(COC2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000826374875 608591360 /nfs/dbraw/zinc/59/13/60/608591360.db2.gz PSVGJPFYOXLBPA-UHFFFAOYSA-N 0 1 385.418 3.326 20 0 GGADMN COc1ccccc1/C=C\CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826218976 608603493 /nfs/dbraw/zinc/60/34/93/608603493.db2.gz PROQWUQIGKIPIN-YVMONPNESA-N 0 1 391.475 3.432 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949531 608701002 /nfs/dbraw/zinc/70/10/02/608701002.db2.gz YALWXQTVNFXFEE-OCCSQVGLSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949531 608701003 /nfs/dbraw/zinc/70/10/03/608701003.db2.gz YALWXQTVNFXFEE-OCCSQVGLSA-N 0 1 392.529 3.053 20 0 GGADMN FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)C2)n1 ZINC000826369046 608740937 /nfs/dbraw/zinc/74/09/37/608740937.db2.gz KLBGCIPSFWPPAK-SECBINFHSA-N 0 1 384.387 3.315 20 0 GGADMN FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)o3)C2)n1 ZINC000826369046 608740943 /nfs/dbraw/zinc/74/09/43/608740943.db2.gz KLBGCIPSFWPPAK-SECBINFHSA-N 0 1 384.387 3.315 20 0 GGADMN FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)o3)C2)n1 ZINC000826369046 608740946 /nfs/dbraw/zinc/74/09/46/608740946.db2.gz KLBGCIPSFWPPAK-SECBINFHSA-N 0 1 384.387 3.315 20 0 GGADMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cnc3ccc(-c4nn[nH]n4)cn23)o1 ZINC000826284747 608748239 /nfs/dbraw/zinc/74/82/39/608748239.db2.gz DINOZMIYBSSRDG-DYVFJYSZSA-N 0 1 377.452 3.389 20 0 GGADMN Fc1cccc(Cl)c1[C@@H](CNc1cnccc1-c1nn[nH]n1)N1CCCC1 ZINC000826377451 608772030 /nfs/dbraw/zinc/77/20/30/608772030.db2.gz SIKAGNBVXOMRSS-MRXNPFEDSA-N 0 1 387.850 3.303 20 0 GGADMN Cc1[nH]nc2cc(NC(=O)[C@@H](Oc3ccccc3-c3nn[nH]n3)C(C)C)ccc12 ZINC000826322561 608829231 /nfs/dbraw/zinc/82/92/31/608829231.db2.gz RVTWHTHMGCHNAN-SFHVURJKSA-N 0 1 391.435 3.094 20 0 GGADMN C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824537750 609145871 /nfs/dbraw/zinc/14/58/71/609145871.db2.gz GAFCFMAOWXRUII-KUHUBIRLSA-N 0 1 377.427 3.294 20 0 GGADMN CC[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000825144071 609169266 /nfs/dbraw/zinc/16/92/66/609169266.db2.gz YFFAWABQFMAOAA-MOPGFXCFSA-N 0 1 394.454 3.242 20 0 GGADMN COc1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1OC(F)F ZINC000826202306 609325484 /nfs/dbraw/zinc/32/54/84/609325484.db2.gz VSBKKTOYIBNKII-SNVBAGLBSA-N 0 1 393.369 3.467 20 0 GGADMN Cn1cc(CNCc2ccccc2Cl)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361941 609335998 /nfs/dbraw/zinc/33/59/98/609335998.db2.gz WVPTXNDHOCLYNV-UHFFFAOYSA-N 0 1 379.855 3.210 20 0 GGADMN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c2ccccc21 ZINC000823974280 609344399 /nfs/dbraw/zinc/34/43/99/609344399.db2.gz OXLUYSQLFVVLFO-XIKOKIGWSA-N 0 1 380.427 3.154 20 0 GGADMN C[C@H](NCc1ccccc1-c1cnn(C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617743 609345087 /nfs/dbraw/zinc/34/50/87/609345087.db2.gz JWRZCULKOCLZDD-ZDUSSCGKSA-N 0 1 377.427 3.257 20 0 GGADMN COc1cc(C)c(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(C)n1 ZINC000826178384 609408485 /nfs/dbraw/zinc/40/84/85/609408485.db2.gz VZLKUBTYSSUIKN-UHFFFAOYSA-N 0 1 376.464 3.176 20 0 GGADMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1sccc1-c1nn[nH]n1 ZINC000826420862 609473625 /nfs/dbraw/zinc/47/36/25/609473625.db2.gz GLIWHHFAXHLEKX-UHFFFAOYSA-N 0 1 391.869 3.189 20 0 GGADMN CC(C)c1ccc([C@H](C)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000824347561 609514480 /nfs/dbraw/zinc/51/44/80/609514480.db2.gz DGJGPYASSYNVNJ-INIZCTEOSA-N 0 1 377.496 3.268 20 0 GGADMN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826237117 609524553 /nfs/dbraw/zinc/52/45/53/609524553.db2.gz OMWBMOULXRZVGU-UHFFFAOYSA-N 0 1 384.248 3.283 20 0 GGADMN Fc1cccc(CCN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1F ZINC000826376405 609528235 /nfs/dbraw/zinc/52/82/35/609528235.db2.gz CJEUMNMXLSYIGH-UHFFFAOYSA-N 0 1 385.418 3.231 20 0 GGADMN C[C@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)sc2C1 ZINC000066249584 654898005 /nfs/dbraw/zinc/89/80/05/654898005.db2.gz CJNSZDMSPITLOC-NSHDSACASA-N 0 1 380.491 3.230 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc(F)c(NC(C)=O)c2)N2CCCC2)cc1 ZINC000052956969 1406241504 /nfs/dbraw/zinc/24/15/04/1406241504.db2.gz LISWSSGYLZKSBM-OAQYLSRUSA-N 0 1 399.466 3.360 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc(NC(C)=O)ccc2F)N2CCCC2)cc1 ZINC000052956966 1406241747 /nfs/dbraw/zinc/24/17/47/1406241747.db2.gz XVBYVOJGRZGHBD-NRFANRHFSA-N 0 1 399.466 3.360 20 0 GGADMN CC(C)[C@@H](C(=O)NC[C@H](c1cccs1)N(C)C)n1nnc(-c2ccccc2)n1 ZINC000052958203 1406242687 /nfs/dbraw/zinc/24/26/87/1406242687.db2.gz CFWYAPNEYRUGIM-AEFFLSMTSA-N 0 1 398.536 3.018 20 0 GGADMN CC(=O)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)ccc1F ZINC000052958985 1406243421 /nfs/dbraw/zinc/24/34/21/1406243421.db2.gz LEAMAJHVSROYGJ-UHFFFAOYSA-N 0 1 384.455 3.097 20 0 GGADMN CC(C)[C@H](C(=O)NC[C@@H](c1cccs1)N(C)C)n1nnc(-c2ccccc2)n1 ZINC000052958202 1406243436 /nfs/dbraw/zinc/24/34/36/1406243436.db2.gz CFWYAPNEYRUGIM-FUHWJXTLSA-N 0 1 398.536 3.018 20 0 GGADMN CC(=O)Nc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1F ZINC000052960179 1406243800 /nfs/dbraw/zinc/24/38/00/1406243800.db2.gz OLUBFLMXDFPGOV-QGZVFWFLSA-N 0 1 375.469 3.413 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000052970815 1406247379 /nfs/dbraw/zinc/24/73/79/1406247379.db2.gz RLWJUDVZFZTPMK-UHFFFAOYSA-N 0 1 380.532 3.416 20 0 GGADMN CCN(CC)[C@H](CNC(=O)CSc1ccc2c(c1)OCCO2)c1ccco1 ZINC000053002085 1406254930 /nfs/dbraw/zinc/25/49/30/1406254930.db2.gz YLJIPGLHEZCBDW-MRXNPFEDSA-N 0 1 390.505 3.342 20 0 GGADMN COCCOc1ccccc1C(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000053009558 1406256951 /nfs/dbraw/zinc/25/69/51/1406256951.db2.gz ITSPXVPSLJHQKI-UHFFFAOYSA-N 0 1 382.504 3.368 20 0 GGADMN COCCOc1cccc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000053010633 1406258330 /nfs/dbraw/zinc/25/83/30/1406258330.db2.gz UDCXCQBMGMJMLO-JOCHJYFZSA-N 0 1 398.503 3.287 20 0 GGADMN CC(C)[C@@H](C(=O)NC[C@@H](c1ccsc1)N(C)C)n1nnc(-c2ccccc2)n1 ZINC000053010326 1406258791 /nfs/dbraw/zinc/25/87/91/1406258791.db2.gz RENFCUKPFMNZFS-ROUUACIJSA-N 0 1 398.536 3.018 20 0 GGADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020400 1406263477 /nfs/dbraw/zinc/26/34/77/1406263477.db2.gz OMJZJIWPDAIKKZ-CYBMUJFWSA-N 0 1 395.931 3.389 20 0 GGADMN CCCCNC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020382 1406263814 /nfs/dbraw/zinc/26/38/14/1406263814.db2.gz OOXHFEUBCIASEU-ZDUSSCGKSA-N 0 1 381.904 3.001 20 0 GGADMN CC[C@H](CNC(=O)c1ccccc1OCCOC)N1CCc2ccccc2C1 ZINC000053028389 1406269234 /nfs/dbraw/zinc/26/92/34/1406269234.db2.gz MLZGSZXIGBYPHL-HXUWFJFHSA-N 0 1 382.504 3.279 20 0 GGADMN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CN(C)CCc2ccccc2)c1 ZINC000053048837 1406273412 /nfs/dbraw/zinc/27/34/12/1406273412.db2.gz QPUGUSUPJCUFRQ-SFHVURJKSA-N 0 1 381.520 3.462 20 0 GGADMN CC(C)CN(C(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)C(C)C ZINC000053050317 1406275123 /nfs/dbraw/zinc/27/51/23/1406275123.db2.gz XOZKDZRLFWBKEX-UHFFFAOYSA-N 0 1 391.531 3.047 20 0 GGADMN Cc1c2cc(F)ccc2sc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000053056577 1406279051 /nfs/dbraw/zinc/27/90/51/1406279051.db2.gz IQYHSSDXCYSMRF-UHFFFAOYSA-N 0 1 398.507 3.426 20 0 GGADMN CCOc1ccc(CN(C)C(=O)c2n[nH]c(C)c2Br)cc1OC ZINC000053092656 1406289993 /nfs/dbraw/zinc/28/99/93/1406289993.db2.gz YOPPMODSVBAMBM-UHFFFAOYSA-N 0 1 382.258 3.160 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cc(NC(C)=O)ccc1F)N1CCCC1 ZINC000053118259 1406298069 /nfs/dbraw/zinc/29/80/69/1406298069.db2.gz NBFXQZNNSGYCNT-FQEVSTJZSA-N 0 1 399.466 3.360 20 0 GGADMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1Br ZINC000053151511 1406310111 /nfs/dbraw/zinc/31/01/11/1406310111.db2.gz ZWBXTPMNLXDOLO-GFCCVEGCSA-N 0 1 392.253 3.229 20 0 GGADMN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C3CC3)C3CCC(C)CC3)n12 ZINC000053170876 1406313392 /nfs/dbraw/zinc/31/33/92/1406313392.db2.gz CUEBOIFHAFUXKG-UHFFFAOYSA-N 0 1 379.508 3.433 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)Cc2coc(-c3ccccc3)n2)CC1 ZINC000053176578 1406314739 /nfs/dbraw/zinc/31/47/39/1406314739.db2.gz YCVCVVKNODKFNI-UHFFFAOYSA-N 0 1 376.460 3.275 20 0 GGADMN Cn1c2nnc(CN3CCC[C@H]3CCc3ccccc3)n2c2ccccc2c1=O ZINC000053182233 1406317488 /nfs/dbraw/zinc/31/74/88/1406317488.db2.gz VUBIJPGYTUXMTM-SFHVURJKSA-N 0 1 387.487 3.178 20 0 GGADMN COc1ccc2nc(SCC(=O)NC[C@@H]3CCN(c4ccccc4)C3)[nH]c2c1 ZINC000053185532 1406319210 /nfs/dbraw/zinc/31/92/10/1406319210.db2.gz CKCKAZLWTTZLGV-HNNXBMFYSA-N 0 1 396.516 3.306 20 0 GGADMN Cc1nc2ccc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2[nH]1 ZINC000053191852 1406322111 /nfs/dbraw/zinc/32/21/11/1406322111.db2.gz PNAKOUUMFLHDSG-UHFFFAOYSA-N 0 1 389.864 3.470 20 0 GGADMN CC(=O)c1c(C)cc(C)c(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1C ZINC000053218550 1406329154 /nfs/dbraw/zinc/32/91/54/1406329154.db2.gz ATHDGXFCURINIP-SFHVURJKSA-N 0 1 380.554 3.108 20 0 GGADMN CCOc1cccc(CNC(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000053264731 1406347280 /nfs/dbraw/zinc/34/72/80/1406347280.db2.gz LJGCEFBAXIDGRH-UHFFFAOYSA-N 0 1 386.452 3.418 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)N(C)C)c1 ZINC000053272127 1406350962 /nfs/dbraw/zinc/35/09/62/1406350962.db2.gz YQLXQYJQBKZPEL-VQIMIIECSA-N 0 1 388.895 3.319 20 0 GGADMN CC(=O)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1F ZINC000053272662 1406352259 /nfs/dbraw/zinc/35/22/59/1406352259.db2.gz ZGMWWZJSNNQXCK-UHFFFAOYSA-N 0 1 384.455 3.097 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(OCC(=O)OC)cc2)[nH]n1 ZINC000053290751 1406357567 /nfs/dbraw/zinc/35/75/67/1406357567.db2.gz KTSQNJJITHZWLK-UHFFFAOYSA-N 0 1 395.415 3.280 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1 ZINC000053303860 1406359842 /nfs/dbraw/zinc/35/98/42/1406359842.db2.gz BCEQHEAPUBDMTP-UHFFFAOYSA-N 0 1 383.467 3.441 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1n[nH]c(C)c1Br ZINC000053330619 1406366145 /nfs/dbraw/zinc/36/61/45/1406366145.db2.gz GDLCNJVEAITCLL-UHFFFAOYSA-N 0 1 393.285 3.280 20 0 GGADMN CC[C@H](C)N(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000053399485 1406384716 /nfs/dbraw/zinc/38/47/16/1406384716.db2.gz APPSKFIKDFGCDF-KRWDZBQOSA-N 0 1 385.483 3.335 20 0 GGADMN Cc1ccccc1[C@@H](OC[C@H](O)CN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000053400915 1406385128 /nfs/dbraw/zinc/38/51/28/1406385128.db2.gz MZHAGQBBFRFPLN-GGAORHGYSA-N 0 1 379.504 3.327 20 0 GGADMN CCc1ccc([C@H](NC(=O)CSc2nc(N)cc(N)n2)c2cccs2)cc1 ZINC000053450869 1406397337 /nfs/dbraw/zinc/39/73/37/1406397337.db2.gz FGMNFHIVZHKNBD-SFHVURJKSA-N 0 1 399.545 3.263 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)CSc1nc(N)cc(N)n1)c1ccc(F)cc1 ZINC000053450964 1406397362 /nfs/dbraw/zinc/39/73/62/1406397362.db2.gz BKNPKCVCASUGTM-ZDUSSCGKSA-N 0 1 377.489 3.166 20 0 GGADMN Cc1cc(C)cc(N2CC[C@H](C(=O)NC[C@H](c3ccsc3)N(C)C)C2=O)c1 ZINC000053459246 1406400066 /nfs/dbraw/zinc/40/00/66/1406400066.db2.gz YXRDTWRPPPNXQJ-RTBURBONSA-N 0 1 385.533 3.137 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccsc1 ZINC000053459206 1406400262 /nfs/dbraw/zinc/40/02/62/1406400262.db2.gz WHWHUQHUNKYECE-IRXDYDNUSA-N 0 1 391.924 3.174 20 0 GGADMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)[nH]c2c1C(=O)CCC2 ZINC000053474336 1406407956 /nfs/dbraw/zinc/40/79/56/1406407956.db2.gz LRAPVUNYBIUJES-UHFFFAOYSA-N 0 1 380.492 3.155 20 0 GGADMN Cc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1N1CCN(C)CC1 ZINC000053474037 1406408295 /nfs/dbraw/zinc/40/82/95/1406408295.db2.gz NTXPFJYEQARZIH-UHFFFAOYSA-N 0 1 377.444 3.106 20 0 GGADMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc(OC)c1OC ZINC000053473988 1406408342 /nfs/dbraw/zinc/40/83/42/1406408342.db2.gz QBLKGXPHOXZXEO-UHFFFAOYSA-N 0 1 399.491 3.025 20 0 GGADMN Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1N1CCN(C)CC1 ZINC000053474414 1406409029 /nfs/dbraw/zinc/40/90/29/1406409029.db2.gz AQPHYWHAVXVLHL-UHFFFAOYSA-N 0 1 392.503 3.126 20 0 GGADMN COCc1ccc(CNC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000053484586 1406413535 /nfs/dbraw/zinc/41/35/35/1406413535.db2.gz GTIZIKNRQCRHIR-UHFFFAOYSA-N 0 1 398.488 3.035 20 0 GGADMN CC(C)(C)CC(=O)NCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000053500794 1406415517 /nfs/dbraw/zinc/41/55/17/1406415517.db2.gz ZLUCAFQUVKOWAJ-QGZVFWFLSA-N 0 1 379.932 3.146 20 0 GGADMN CN(C[C@@H]1COc2ccccc2O1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000053524661 1406424983 /nfs/dbraw/zinc/42/49/83/1406424983.db2.gz MGDJLJIIFCCKSP-MSOLQXFVSA-N 0 1 399.491 3.288 20 0 GGADMN C[C@@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1F ZINC000053526302 1406426891 /nfs/dbraw/zinc/42/68/91/1406426891.db2.gz RFCFWHHGGQYEOK-OAHLLOKOSA-N 0 1 381.467 3.360 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC ZINC000053530015 1406428768 /nfs/dbraw/zinc/42/87/68/1406428768.db2.gz AQGXVEYAKUQBAL-HNNXBMFYSA-N 0 1 377.510 3.210 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000053529740 1406428937 /nfs/dbraw/zinc/42/89/37/1406428937.db2.gz FYENAXPORXNSPO-INIZCTEOSA-N 0 1 388.537 3.248 20 0 GGADMN Cc1cccc(N2CCN(C(=O)NC[C@H](c3ccco3)N3CCCC3)CC2)c1 ZINC000053534831 1406430544 /nfs/dbraw/zinc/43/05/44/1406430544.db2.gz XYIDUNSAPFVBSG-HXUWFJFHSA-N 0 1 382.508 3.257 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000053535145 1406430580 /nfs/dbraw/zinc/43/05/80/1406430580.db2.gz RRVPCSDVZNQMEG-KRWDZBQOSA-N 0 1 375.444 3.276 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCN(Cc2ccsc2)CC1 ZINC000053534488 1406430650 /nfs/dbraw/zinc/43/06/50/1406430650.db2.gz YFCZUEZUJKNHOG-GOSISDBHSA-N 0 1 388.537 3.005 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)NC[C@H](c1ccco1)N1CCCC1)CC2 ZINC000053534770 1406431026 /nfs/dbraw/zinc/43/10/26/1406431026.db2.gz QDFFUDCVCJYTSA-GOSISDBHSA-N 0 1 399.491 3.202 20 0 GGADMN COc1ccc(OCCN(C)C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000053534381 1406431158 /nfs/dbraw/zinc/43/11/58/1406431158.db2.gz VCTGECRLRVZQLU-IBGZPJMESA-N 0 1 387.480 3.146 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000053539008 1406433086 /nfs/dbraw/zinc/43/30/86/1406433086.db2.gz QFQFQWWZGVKCAH-OAQYLSRUSA-N 0 1 395.482 3.456 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(F)c1 ZINC000053538482 1406433548 /nfs/dbraw/zinc/43/35/48/1406433548.db2.gz UVYPQOUPPUIMOG-LJQANCHMSA-N 0 1 390.528 3.017 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000053538475 1406433600 /nfs/dbraw/zinc/43/36/00/1406433600.db2.gz RZGHZLAHFGJTGS-HXUWFJFHSA-N 0 1 388.462 3.099 20 0 GGADMN O=C(c1ccc(Oc2ccccc2)nc1)N1CCC(CN2CCOCC2)CC1 ZINC000053569747 1406445750 /nfs/dbraw/zinc/44/57/50/1406445750.db2.gz KLCWKXCKBQWRMB-UHFFFAOYSA-N 0 1 381.476 3.058 20 0 GGADMN CN(C)[C@@H](CNC(=S)Nc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000053578095 1406450057 /nfs/dbraw/zinc/45/00/57/1406450057.db2.gz YALJJBPGQVCGMQ-INIZCTEOSA-N 0 1 375.469 3.186 20 0 GGADMN COc1cccc([C@H](CNC(=S)Nc2ccc3c(c2)OCCO3)N(C)C)c1 ZINC000053578101 1406450072 /nfs/dbraw/zinc/45/00/72/1406450072.db2.gz LLWXKXFTNKTYSK-KRWDZBQOSA-N 0 1 387.505 3.056 20 0 GGADMN CC(C)(C)c1nc(CN2CCN(C(=O)c3cccc4c[nH]nc43)CC2)cs1 ZINC000053597415 1406455402 /nfs/dbraw/zinc/45/54/02/1406455402.db2.gz MSEFXWVJCOJKDX-UHFFFAOYSA-N 0 1 383.521 3.275 20 0 GGADMN CC(C)c1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n[nH]1 ZINC000053597580 1406455530 /nfs/dbraw/zinc/45/55/30/1406455530.db2.gz XBZYDVBNWKURTA-UHFFFAOYSA-N 0 1 375.542 3.245 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000053607239 1406458752 /nfs/dbraw/zinc/45/87/52/1406458752.db2.gz RBBUFTRNHPPJRK-UHFFFAOYSA-N 0 1 389.443 3.490 20 0 GGADMN Cc1noc(C2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)CC2)n1 ZINC000053618202 1406462357 /nfs/dbraw/zinc/46/23/57/1406462357.db2.gz KNPHHDYQJWIIQI-UHFFFAOYSA-N 0 1 380.448 3.281 20 0 GGADMN CC(C)c1cc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000053626910 1406463594 /nfs/dbraw/zinc/46/35/94/1406463594.db2.gz ULFVMBXWFTTYOT-UHFFFAOYSA-N 0 1 394.397 3.150 20 0 GGADMN COc1ccc(N2CCN(CCCNC(=O)CCc3cccc(C)c3)CC2)cc1 ZINC000053665681 1406472270 /nfs/dbraw/zinc/47/22/70/1406472270.db2.gz UPLNOJJCBFRFDG-UHFFFAOYSA-N 0 1 395.547 3.265 20 0 GGADMN COc1cc([C@@H](C)NC(=O)CSc2nnc(C)[nH]2)ccc1OC1CCCC1 ZINC000053673606 1406475438 /nfs/dbraw/zinc/47/54/38/1406475438.db2.gz ZQJYXHMCMJPDAR-GFCCVEGCSA-N 0 1 390.509 3.413 20 0 GGADMN COc1cc([C@@H](C)NC(=O)CSc2nc(C)n[nH]2)ccc1OC1CCCC1 ZINC000053673606 1406475444 /nfs/dbraw/zinc/47/54/44/1406475444.db2.gz ZQJYXHMCMJPDAR-GFCCVEGCSA-N 0 1 390.509 3.413 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[nH]1 ZINC000053673647 1406475624 /nfs/dbraw/zinc/47/56/24/1406475624.db2.gz UASWVZOVELDRGF-ZDUSSCGKSA-N 0 1 383.477 3.057 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)n1 ZINC000053673647 1406475634 /nfs/dbraw/zinc/47/56/34/1406475634.db2.gz UASWVZOVELDRGF-ZDUSSCGKSA-N 0 1 383.477 3.057 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CCCOc1ccc(Cl)cc1 ZINC000053681188 1406478140 /nfs/dbraw/zinc/47/81/40/1406478140.db2.gz DHKLPBCZSZKTJS-AWEZNQCLSA-N 0 1 389.883 3.167 20 0 GGADMN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H](c1ccco1)N1CCCC1 ZINC000053679800 1406478150 /nfs/dbraw/zinc/47/81/50/1406478150.db2.gz YZUKFVAQOAWYPQ-INIZCTEOSA-N 0 1 390.867 3.200 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2cccc3cnccc32)C1 ZINC000053686221 1406478791 /nfs/dbraw/zinc/47/87/91/1406478791.db2.gz QDZIADSLWYCFSJ-LPHOPBHVSA-N 0 1 381.501 3.349 20 0 GGADMN COc1ccccc1OCCN(C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000053682961 1406479303 /nfs/dbraw/zinc/47/93/03/1406479303.db2.gz XAWTXASSXVMXCV-UHFFFAOYSA-N 0 1 396.443 3.271 20 0 GGADMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)NC[C@H]1Cc2ccccc2O1 ZINC000053714724 1406486661 /nfs/dbraw/zinc/48/66/61/1406486661.db2.gz KDWRUORNCKPOTO-MRXNPFEDSA-N 0 1 386.521 3.140 20 0 GGADMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)NC[C@H]1Cc2ccccc2O1 ZINC000053714724 1406486670 /nfs/dbraw/zinc/48/66/70/1406486670.db2.gz KDWRUORNCKPOTO-MRXNPFEDSA-N 0 1 386.521 3.140 20 0 GGADMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)NCCOc1ccc(F)cc1 ZINC000053714717 1406486842 /nfs/dbraw/zinc/48/68/42/1406486842.db2.gz YMWABHQPKCJKJN-UHFFFAOYSA-N 0 1 392.500 3.354 20 0 GGADMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)NCCOc1ccc(F)cc1 ZINC000053714717 1406486848 /nfs/dbraw/zinc/48/68/48/1406486848.db2.gz YMWABHQPKCJKJN-UHFFFAOYSA-N 0 1 392.500 3.354 20 0 GGADMN COCc1cccc(CNC(=O)CSc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000053714818 1406486901 /nfs/dbraw/zinc/48/69/01/1406486901.db2.gz JHADPVRQLPDOIZ-UHFFFAOYSA-N 0 1 388.537 3.482 20 0 GGADMN COCc1cccc(CNC(=O)CSc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000053714818 1406486906 /nfs/dbraw/zinc/48/69/06/1406486906.db2.gz JHADPVRQLPDOIZ-UHFFFAOYSA-N 0 1 388.537 3.482 20 0 GGADMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)NCCOc1cccc(F)c1 ZINC000053714617 1406487146 /nfs/dbraw/zinc/48/71/46/1406487146.db2.gz HSPMGGWAXKHHOE-UHFFFAOYSA-N 0 1 392.500 3.354 20 0 GGADMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)NCCOc1cccc(F)c1 ZINC000053714617 1406487157 /nfs/dbraw/zinc/48/71/57/1406487157.db2.gz HSPMGGWAXKHHOE-UHFFFAOYSA-N 0 1 392.500 3.354 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)nc2)CC1 ZINC000053745021 1406500589 /nfs/dbraw/zinc/50/05/89/1406500589.db2.gz GKUWAJNLCIXZLH-UHFFFAOYSA-N 0 1 378.398 3.033 20 0 GGADMN CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1 ZINC000053746078 1406501560 /nfs/dbraw/zinc/50/15/60/1406501560.db2.gz CDEUWSVCMNYRAK-QGZVFWFLSA-N 0 1 382.508 3.363 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)nc2)CC1 ZINC000053745962 1406501616 /nfs/dbraw/zinc/50/16/16/1406501616.db2.gz BVDCEVHLDHUSND-UHFFFAOYSA-N 0 1 379.489 3.209 20 0 GGADMN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1Cl ZINC000053746082 1406501651 /nfs/dbraw/zinc/50/16/51/1406501651.db2.gz KPZRPTHFFQRLQG-HNNXBMFYSA-N 0 1 388.899 3.201 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000053762049 1406505370 /nfs/dbraw/zinc/50/53/70/1406505370.db2.gz VGRMOPIBKZIHPB-UHFFFAOYSA-N 0 1 392.864 3.433 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)CC1 ZINC000053761007 1406505716 /nfs/dbraw/zinc/50/57/16/1406505716.db2.gz HVOVMAVPVJENNA-HXUWFJFHSA-N 0 1 381.545 3.401 20 0 GGADMN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000053775527 1406509351 /nfs/dbraw/zinc/50/93/51/1406509351.db2.gz SBFYDVDWYQNVSQ-UHFFFAOYSA-N 0 1 388.443 3.345 20 0 GGADMN CC(C)OC(=O)C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 ZINC000053790876 1406511889 /nfs/dbraw/zinc/51/18/89/1406511889.db2.gz CIXLUWUXGZAMDP-LJQANCHMSA-N 0 1 378.428 3.341 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC000053792844 1406512981 /nfs/dbraw/zinc/51/29/81/1406512981.db2.gz VSGNSMGVHYGUQI-UHFFFAOYSA-N 0 1 378.520 3.287 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)Nc1ccccc1 ZINC000053794431 1406513452 /nfs/dbraw/zinc/51/34/52/1406513452.db2.gz VTBDGDAJKJILMB-HSZRJFAPSA-N 0 1 394.563 3.301 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2)CC1 ZINC000053795433 1406514893 /nfs/dbraw/zinc/51/48/93/1406514893.db2.gz ROAKQQWPDLZEJY-UHFFFAOYSA-N 0 1 378.520 3.287 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2)CC1 ZINC000053796544 1406514943 /nfs/dbraw/zinc/51/49/43/1406514943.db2.gz GYWAIKGKWWPVAY-UHFFFAOYSA-N 0 1 377.532 3.454 20 0 GGADMN CC[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1F)N1CCc2ccccc2C1 ZINC000053800372 1406516907 /nfs/dbraw/zinc/51/69/07/1406516907.db2.gz TWRZYFYOOGSICV-IBGZPJMESA-N 0 1 383.467 3.351 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)CC1 ZINC000053810721 1406520244 /nfs/dbraw/zinc/52/02/44/1406520244.db2.gz WGGJKYMPWGQTFG-UHFFFAOYSA-N 0 1 382.489 3.403 20 0 GGADMN C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000053811073 1406520920 /nfs/dbraw/zinc/52/09/20/1406520920.db2.gz UWQQDYBUKQLCEV-KRWDZBQOSA-N 0 1 385.939 3.448 20 0 GGADMN CCOC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000053812938 1406521819 /nfs/dbraw/zinc/52/18/19/1406521819.db2.gz NELWANGRAUYQTC-UHFFFAOYSA-N 0 1 396.491 3.255 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000053944863 1406562110 /nfs/dbraw/zinc/56/21/10/1406562110.db2.gz PIEWWNTWVCIDHM-UHFFFAOYSA-N 0 1 388.895 3.462 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000053981481 1406576126 /nfs/dbraw/zinc/57/61/26/1406576126.db2.gz YDYPBMLRVQJTGN-ZDUSSCGKSA-N 0 1 391.846 3.420 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000053981581 1406576204 /nfs/dbraw/zinc/57/62/04/1406576204.db2.gz IWIBLXLIMZPMID-OAHLLOKOSA-N 0 1 375.391 3.064 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000053981936 1406577329 /nfs/dbraw/zinc/57/73/29/1406577329.db2.gz NJQZHHFWQZNBSB-NHCUHLMSSA-N 0 1 389.540 3.289 20 0 GGADMN COc1ccc2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c(C)nc2c1 ZINC000053990724 1406578782 /nfs/dbraw/zinc/57/87/82/1406578782.db2.gz ONGKWAIYCGFJPQ-UHFFFAOYSA-N 0 1 390.487 3.341 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000053991146 1406578805 /nfs/dbraw/zinc/57/88/05/1406578805.db2.gz CBNZFMODXSSSPD-UHFFFAOYSA-N 0 1 393.409 3.417 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000053990639 1406578974 /nfs/dbraw/zinc/57/89/74/1406578974.db2.gz IGIZRHHVVMXDIA-INIZCTEOSA-N 0 1 385.895 3.067 20 0 GGADMN O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000053990676 1406579019 /nfs/dbraw/zinc/57/90/19/1406579019.db2.gz CNCCGYCIQOBNNT-UHFFFAOYSA-N 0 1 377.410 3.424 20 0 GGADMN O=C(COc1ccc2ccccc2c1)NC1CCN(Cc2ccccn2)CC1 ZINC000053990357 1406579164 /nfs/dbraw/zinc/57/91/64/1406579164.db2.gz CNLLCQDJDQLJJW-UHFFFAOYSA-N 0 1 375.472 3.394 20 0 GGADMN O=C(NCc1ccc(N2CCc3ccccc3C2)nc1)c1n[nH]c2ccccc21 ZINC000053995927 1406581967 /nfs/dbraw/zinc/58/19/67/1406581967.db2.gz QACXDYDCMOLDJX-UHFFFAOYSA-N 0 1 383.455 3.451 20 0 GGADMN O=C(NCCc1ccc2c(c1)OCCO2)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000054037581 1406598087 /nfs/dbraw/zinc/59/80/87/1406598087.db2.gz KXWYAHZFGGBOQD-SFHVURJKSA-N 0 1 399.491 3.120 20 0 GGADMN O=C(NCc1ccc2c(c1)OCCO2)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000054037587 1406598502 /nfs/dbraw/zinc/59/85/02/1406598502.db2.gz OFXWRWQMPFYNAG-KRWDZBQOSA-N 0 1 385.464 3.077 20 0 GGADMN O=C(NCCc1ccc2c(c1)OCCO2)NC[C@H](c1ccco1)N1CCCCC1 ZINC000054037580 1406598548 /nfs/dbraw/zinc/59/85/48/1406598548.db2.gz KXWYAHZFGGBOQD-GOSISDBHSA-N 0 1 399.491 3.120 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000054039250 1406599460 /nfs/dbraw/zinc/59/94/60/1406599460.db2.gz KJHZINOFECHCSK-KRWDZBQOSA-N 0 1 375.513 3.091 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCc2ccccn2)N2CCCCC2)cc1 ZINC000054038965 1406599477 /nfs/dbraw/zinc/59/94/77/1406599477.db2.gz GKLYYDPJXTXUMA-NRFANRHFSA-N 0 1 382.508 3.159 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)NC[C@H](c2cccs2)N(C)C)c(C)c1 ZINC000054039918 1406600464 /nfs/dbraw/zinc/60/04/64/1406600464.db2.gz VVUAKBGKDSWDJM-MRXNPFEDSA-N 0 1 388.537 3.214 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)N(C)C)c1 ZINC000054043302 1406601960 /nfs/dbraw/zinc/60/19/60/1406601960.db2.gz RJJBTIXEVUHQIB-IFXJQAMLSA-N 0 1 381.480 3.235 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)NC[C@@H](c2cccs2)N(C)C)c(C)c1 ZINC000054039917 1406600734 /nfs/dbraw/zinc/60/07/34/1406600734.db2.gz VVUAKBGKDSWDJM-INIZCTEOSA-N 0 1 388.537 3.214 20 0 GGADMN CCn1c(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)nc2ccccc21 ZINC000054041378 1406600924 /nfs/dbraw/zinc/60/09/24/1406600924.db2.gz RALCIZTWPNVSSD-GOSISDBHSA-N 0 1 381.480 3.286 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2nc3ccccc3s2)N(C)C)c1 ZINC000054044184 1406602686 /nfs/dbraw/zinc/60/26/86/1406602686.db2.gz XYTMHRNARZCWAH-KRWDZBQOSA-N 0 1 384.505 3.407 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccccc1Cn1cccn1)c1cccc(F)c1 ZINC000054044124 1406603415 /nfs/dbraw/zinc/60/34/15/1406603415.db2.gz CDMQIIDENUMDBQ-NRFANRHFSA-N 0 1 395.482 3.173 20 0 GGADMN O=C(NCCCn1ccnc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000054046082 1406604571 /nfs/dbraw/zinc/60/45/71/1406604571.db2.gz GFSBRAVLBYBLJE-GOSISDBHSA-N 0 1 375.904 3.063 20 0 GGADMN Cc1ccc(OCCCCNC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000054079571 1406610328 /nfs/dbraw/zinc/61/03/28/1406610328.db2.gz ILXVHKLSIICPKS-UHFFFAOYSA-N 0 1 395.547 3.331 20 0 GGADMN Cc1[nH]nc(C(=O)N=c2[nH]c3ccccc3n2-c2ccccc2)c1Br ZINC000054083619 1406611210 /nfs/dbraw/zinc/61/12/10/1406611210.db2.gz JERQSEGFJLFVRI-UHFFFAOYSA-N 0 1 396.248 3.494 20 0 GGADMN Cc1n[nH]c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1Br ZINC000054097354 1406616902 /nfs/dbraw/zinc/61/69/02/1406616902.db2.gz JXMKPOYHLOJTAE-UHFFFAOYSA-N 0 1 395.276 3.014 20 0 GGADMN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1c[nH]c2ccccc2c1=O ZINC000054139622 1406628699 /nfs/dbraw/zinc/62/86/99/1406628699.db2.gz ZEACHVOJEUIHSH-FQEVSTJZSA-N 0 1 376.412 3.180 20 0 GGADMN Cc1cccc(C)c1OCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054146662 1406631892 /nfs/dbraw/zinc/63/18/92/1406631892.db2.gz VJGKKPRTDNEGER-UHFFFAOYSA-N 0 1 394.562 3.187 20 0 GGADMN CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000054171843 1406639172 /nfs/dbraw/zinc/63/91/72/1406639172.db2.gz WOGNLOFVUGLJFF-UHFFFAOYSA-N 0 1 385.552 3.068 20 0 GGADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000054171895 1406639204 /nfs/dbraw/zinc/63/92/04/1406639204.db2.gz OPVWLURTWJCSHX-UHFFFAOYSA-N 0 1 385.552 3.148 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3ccccc3Cl)on2)C[C@@H](C)O1 ZINC000054173904 1406640552 /nfs/dbraw/zinc/64/05/52/1406640552.db2.gz CFBSDYOMYWPCNO-ZIAGYGMSSA-N 0 1 377.872 3.224 20 0 GGADMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1Cl ZINC000134953192 1417150892 /nfs/dbraw/zinc/15/08/92/1417150892.db2.gz NXFKAGODNMIANH-NSHDSACASA-N 0 1 375.675 3.068 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054182099 1406641400 /nfs/dbraw/zinc/64/14/00/1406641400.db2.gz UUBNXLPBRVJZTR-FQEVSTJZSA-N 0 1 394.519 3.169 20 0 GGADMN CCN(C(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000054182242 1406641604 /nfs/dbraw/zinc/64/16/04/1406641604.db2.gz VZHQPEOWHQKSDR-ROUUACIJSA-N 0 1 380.492 3.174 20 0 GGADMN C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCC(F)(F)F ZINC000054177788 1406641683 /nfs/dbraw/zinc/64/16/83/1406641683.db2.gz KZFRNSJPCOEORU-AWEZNQCLSA-N 0 1 391.393 3.294 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000054181458 1406642185 /nfs/dbraw/zinc/64/21/85/1406642185.db2.gz WHYHPADHEUDKCT-HBFSDRIKSA-N 0 1 394.519 3.041 20 0 GGADMN COc1ccc(CN[C@H](C)C(=O)NCC(F)(F)F)cc1OCc1ccccc1 ZINC000054176996 1406642198 /nfs/dbraw/zinc/64/21/98/1406642198.db2.gz PXXXISOWUDKFQO-CQSZACIVSA-N 0 1 396.409 3.431 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000054182979 1406644014 /nfs/dbraw/zinc/64/40/14/1406644014.db2.gz FXIJEAPHBUWDAD-OTWHNJEPSA-N 0 1 394.519 3.306 20 0 GGADMN CCCCC[C@@H](C)NC(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054215238 1406653723 /nfs/dbraw/zinc/65/37/23/1406653723.db2.gz ZGWOPJASKLOLCF-OAHLLOKOSA-N 0 1 394.947 3.471 20 0 GGADMN C[C@H](C(=O)N1CCC(C)CC1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054214511 1406653903 /nfs/dbraw/zinc/65/39/03/1406653903.db2.gz UEVHSRJTWMJKOF-OAHLLOKOSA-N 0 1 392.931 3.033 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054215298 1406653995 /nfs/dbraw/zinc/65/39/95/1406653995.db2.gz LHKPQRLILCTOGH-QGZVFWFLSA-N 0 1 392.931 3.177 20 0 GGADMN CCC(CC)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054216579 1406654084 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COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2OC)cc1 ZINC000015897824 1399199613 /nfs/dbraw/zinc/19/96/13/1399199613.db2.gz QIOOZLGHQKEFTI-BLLLJJGKSA-N 0 1 390.461 3.099 20 0 GGADMN COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000015900892 1399200330 /nfs/dbraw/zinc/20/03/30/1399200330.db2.gz CQXABYYAYWNXQT-ABAIWWIYSA-N 0 1 378.425 3.230 20 0 GGADMN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000055576692 1407010411 /nfs/dbraw/zinc/01/04/11/1407010411.db2.gz SLCJVWFRGUTUEB-UHFFFAOYSA-N 0 1 388.367 3.088 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000016122743 1399212817 /nfs/dbraw/zinc/21/28/17/1399212817.db2.gz VPGANQXFOUFPIR-UHFFFAOYSA-N 0 1 376.478 3.413 20 0 GGADMN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000016125788 1399213211 /nfs/dbraw/zinc/21/32/11/1399213211.db2.gz FDSLWLSHEFMECA-UHFFFAOYSA-N 0 1 391.445 3.184 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000016149103 1399215978 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CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000016639841 1399254016 /nfs/dbraw/zinc/25/40/16/1399254016.db2.gz LUVBAYUFJNLHKU-UHFFFAOYSA-N 0 1 382.869 3.289 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2-n2cccn2)c2cccnc12 ZINC000055588047 1407014281 /nfs/dbraw/zinc/01/42/81/1407014281.db2.gz FCVDXSKFQDSIAS-UHFFFAOYSA-N 0 1 380.429 3.230 20 0 GGADMN COc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1Cc1ccccc1 ZINC000016729835 1399259472 /nfs/dbraw/zinc/25/94/72/1399259472.db2.gz FBVGKULKJMPWIR-UHFFFAOYSA-N 0 1 385.489 3.437 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c(Cl)c1 ZINC000055587532 1407014567 /nfs/dbraw/zinc/01/45/67/1407014567.db2.gz UQJXQTKTJBTIKP-UHFFFAOYSA-N 0 1 389.864 3.105 20 0 GGADMN O=C(NCCN1C(=O)SC(=Cc2ccccc2)C1=O)c1n[nH]c2ccccc21 ZINC000017262239 1399276703 /nfs/dbraw/zinc/27/67/03/1399276703.db2.gz RWJZAAYSQCPLQF-VBKFSLOCSA-N 0 1 392.440 3.029 20 0 GGADMN CN(CC(=O)Nc1ccccc1SCC(N)=O)[C@H]1CCCc2ccccc21 ZINC000017284157 1399277225 /nfs/dbraw/zinc/27/72/25/1399277225.db2.gz 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S=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000020153929 1399343555 /nfs/dbraw/zinc/34/35/55/1399343555.db2.gz LXCDUZDUHSNAND-UHFFFAOYSA-N 0 1 388.968 3.444 20 0 GGADMN CCOC(=O)C1C(CN[C@H](C)c2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283196 1399344551 /nfs/dbraw/zinc/34/45/51/1399344551.db2.gz KEPBNFFFSWNGAK-QRWLVFNGSA-N 0 1 379.460 3.209 20 0 GGADMN CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccccc1 ZINC000020283985 1399344564 /nfs/dbraw/zinc/34/45/64/1399344564.db2.gz MNABFDJHBGXSBZ-NRFANRHFSA-N 0 1 391.471 3.311 20 0 GGADMN Fc1ccc(-c2nnc3ccc(N4CCN(Cc5ccccc5)CC4)nn32)cc1 ZINC000020860826 1399355119 /nfs/dbraw/zinc/35/51/19/1399355119.db2.gz WZEWFCWYNPABTF-UHFFFAOYSA-N 0 1 388.450 3.253 20 0 GGADMN COc1cc2c(cc1CN[C@@H](CN1CCOCC1)c1ccc(C)cc1)O[C@H](C)C2 ZINC000020937289 1399358328 /nfs/dbraw/zinc/35/83/28/1399358328.db2.gz CBFNTYIVAHDAFW-GCJKJVERSA-N 0 1 396.531 3.490 20 0 GGADMN Cc1nn(C)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cc12 ZINC000021487864 1399384872 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CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(C(=O)NC)c3)[nH]c2c1 ZINC000022564425 1399477870 /nfs/dbraw/zinc/47/78/70/1399477870.db2.gz YVUMNFYLQWJAOG-LBPRGKRZSA-N 0 1 398.488 3.441 20 0 GGADMN CCOCCOCc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000055633222 1407032309 /nfs/dbraw/zinc/03/23/09/1407032309.db2.gz XELVCDQLBIDOFB-UHFFFAOYSA-N 0 1 395.477 3.058 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc(OC)c1OC ZINC000022678949 1399489491 /nfs/dbraw/zinc/48/94/91/1399489491.db2.gz ZZHUQZCKDCMEMP-CQSZACIVSA-N 0 1 379.482 3.198 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Cc1c(C)nn(C)c1C)c1ccccc1Cl ZINC000022681935 1399490230 /nfs/dbraw/zinc/49/02/30/1399490230.db2.gz KPQFHIVAOFVBRY-LJQANCHMSA-N 0 1 376.932 3.432 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Cc1c(C)nn(C)c1C)c1ccccc1Cl ZINC000022681931 1399490301 /nfs/dbraw/zinc/49/03/01/1399490301.db2.gz KPQFHIVAOFVBRY-IBGZPJMESA-N 0 1 376.932 3.432 20 0 GGADMN COc1cccc([C@H](CNC(=O)COc2ccc(F)cc2Cl)N(C)C)c1 ZINC000022683477 1399491318 /nfs/dbraw/zinc/49/13/18/1399491318.db2.gz 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COc1ccc(CN2CCCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1 ZINC000023245176 1399543540 /nfs/dbraw/zinc/54/35/40/1399543540.db2.gz YQEITLIXHOEZME-UHFFFAOYSA-N 0 1 382.504 3.425 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000023245390 1399543943 /nfs/dbraw/zinc/54/39/43/1399543943.db2.gz VHKWAQJWUQFUGR-UHFFFAOYSA-N 0 1 392.503 3.239 20 0 GGADMN O=C1C[C@H](N2CCN(Cc3cccc4ccccc43)CC2)C(=O)N1c1ccccc1 ZINC000023293709 1399548608 /nfs/dbraw/zinc/54/86/08/1399548608.db2.gz WGOIIAJQMZHTCZ-QHCPKHFHSA-N 0 1 399.494 3.290 20 0 GGADMN CC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)CC1 ZINC000023388841 1399555611 /nfs/dbraw/zinc/55/56/11/1399555611.db2.gz UAOOCVXYXMRYCN-NRFANRHFSA-N 0 1 376.460 3.027 20 0 GGADMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1n[nH]c(=O)c2ccccc21 ZINC000023388865 1399555956 /nfs/dbraw/zinc/55/59/56/1399555956.db2.gz CUUFUARLEHXJPJ-HXUWFJFHSA-N 0 1 395.422 3.319 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])N(C)C)c1 ZINC000023392260 1399556282 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CCOCCCNC(=O)[C@@H](C)Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000023778382 1399584734 /nfs/dbraw/zinc/58/47/34/1399584734.db2.gz XRMWCTAWTXSTTI-LLVKDONJSA-N 0 1 398.916 3.157 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnn(-c3ccccc3)c2)N2CCCC2)c1 ZINC000023789878 1399585046 /nfs/dbraw/zinc/58/50/46/1399585046.db2.gz OIMDCBNIMMFVJG-QFIPXVFZSA-N 0 1 390.487 3.448 20 0 GGADMN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000055644405 1407039526 /nfs/dbraw/zinc/03/95/26/1407039526.db2.gz UESRLYMEFALNTQ-AWEZNQCLSA-N 0 1 388.489 3.492 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCO[C@@H](c2ccccc2)C1 ZINC000023897473 1399589235 /nfs/dbraw/zinc/58/92/35/1399589235.db2.gz ZCKLSLFAEKMOBK-GOSISDBHSA-N 0 1 395.484 3.049 20 0 GGADMN COc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2F)N2CCCC2)cc1 ZINC000023994251 1399594782 /nfs/dbraw/zinc/59/47/82/1399594782.db2.gz ASPOSUNDAMGDCU-SFHVURJKSA-N 0 1 396.459 3.089 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000024000905 1399595284 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CCCCOc1ccc(C(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1OC ZINC000024287829 1399618125 /nfs/dbraw/zinc/61/81/25/1399618125.db2.gz BNHDVYLWNKAQSV-UHFFFAOYSA-N 0 1 392.839 3.308 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000024308149 1399619490 /nfs/dbraw/zinc/61/94/90/1399619490.db2.gz JQDAXBYKNHYZSF-VXGBXAGGSA-N 0 1 398.916 3.032 20 0 GGADMN O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(Br)s1 ZINC000024306769 1399619834 /nfs/dbraw/zinc/61/98/34/1399619834.db2.gz UKWOQJMFWIYAEZ-UHFFFAOYSA-N 0 1 391.246 3.444 20 0 GGADMN COC(=O)C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000024485499 1399635200 /nfs/dbraw/zinc/63/52/00/1399635200.db2.gz XETRADYWFYKGMR-CQSZACIVSA-N 0 1 393.823 3.097 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000024496605 1399637486 /nfs/dbraw/zinc/63/74/86/1399637486.db2.gz VJIZAPWYBHDECX-UHFFFAOYSA-N 0 1 389.503 3.114 20 0 GGADMN COc1ccc([C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)N2CCCC2)cc1 ZINC000024519577 1399639564 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CCN(CC)[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)c1cccc(OC)c1 ZINC000024711361 1399661259 /nfs/dbraw/zinc/66/12/59/1399661259.db2.gz UXVCEKWLJSJEDT-QGZVFWFLSA-N 0 1 397.928 3.105 20 0 GGADMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C)cc1)c1cccc(OC)c1 ZINC000024711181 1399661282 /nfs/dbraw/zinc/66/12/82/1399661282.db2.gz ZBNDTTWVNUGYRW-HXUWFJFHSA-N 0 1 376.522 3.365 20 0 GGADMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)ccc2c1 ZINC000024732198 1399663719 /nfs/dbraw/zinc/66/37/19/1399663719.db2.gz PUFWAMHLFHLOBD-LBPRGKRZSA-N 0 1 397.397 3.057 20 0 GGADMN COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000024811136 1399674943 /nfs/dbraw/zinc/67/49/43/1399674943.db2.gz WVLFASLWWMCWSM-UHFFFAOYSA-N 0 1 397.504 3.317 20 0 GGADMN COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000024841824 1399678278 /nfs/dbraw/zinc/67/82/78/1399678278.db2.gz UBYVPZJSLMLYCL-UHFFFAOYSA-N 0 1 386.408 3.128 20 0 GGADMN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000055666278 1407048585 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/nfs/dbraw/zinc/88/38/78/1399883878.db2.gz NJVPFOHSFRJUOF-UHFFFAOYSA-N 0 1 391.519 3.298 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(Cn2cccn2)cc1)c1ccsc1 ZINC000026392188 1399885760 /nfs/dbraw/zinc/88/57/60/1399885760.db2.gz ROVHECNUHULUHS-IBGZPJMESA-N 0 1 383.521 3.095 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000026392247 1399885898 /nfs/dbraw/zinc/88/58/98/1399885898.db2.gz SIWPXVYCJBLXDO-QGZVFWFLSA-N 0 1 388.537 3.248 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(Cn2cccn2)cc1)c1cccs1 ZINC000026393865 1399886282 /nfs/dbraw/zinc/88/62/82/1399886282.db2.gz NLNFIJVUIKNNAH-SFHVURJKSA-N 0 1 383.521 3.095 20 0 GGADMN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1 ZINC000026412785 1399887108 /nfs/dbraw/zinc/88/71/08/1399887108.db2.gz HEBLCGCZJLGRDS-MRXNPFEDSA-N 0 1 390.443 3.238 20 0 GGADMN COCCN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C1CCCC1 ZINC000026447730 1399890701 /nfs/dbraw/zinc/89/07/01/1399890701.db2.gz ROZACTYRVSRHRC-SFHVURJKSA-N 0 1 385.464 3.441 20 0 GGADMN COCCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC(C)C ZINC000026449986 1399891355 /nfs/dbraw/zinc/89/13/55/1399891355.db2.gz MQXUHCYPPRMICY-UHFFFAOYSA-N 0 1 383.492 3.482 20 0 GGADMN COc1ccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1OC(F)F ZINC000026452752 1399891762 /nfs/dbraw/zinc/89/17/62/1399891762.db2.gz WKNCTWQGOCOVEZ-UHFFFAOYSA-N 0 1 381.404 3.227 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1OC(F)F ZINC000026452752 1399891764 /nfs/dbraw/zinc/89/17/64/1399891764.db2.gz WKNCTWQGOCOVEZ-UHFFFAOYSA-N 0 1 381.404 3.227 20 0 GGADMN O=C(CN1CCC[C@H]1c1cccs1)NCc1ccccc1Cn1cccn1 ZINC000026483850 1399894401 /nfs/dbraw/zinc/89/44/01/1399894401.db2.gz MJVAKYSXLGHGPU-IBGZPJMESA-N 0 1 380.517 3.446 20 0 GGADMN Cc1ccccc1N1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000026521835 1399896528 /nfs/dbraw/zinc/89/65/28/1399896528.db2.gz KLSOPARZMDCAGB-FQEVSTJZSA-N 0 1 382.508 3.257 20 0 GGADMN CC1=NC(=S)N[C@H](c2csc(Br)c2)C1C(=O)OC(C)C ZINC000026520751 1399896772 /nfs/dbraw/zinc/89/67/72/1399896772.db2.gz XHBRDKLHTCTUOL-LLVKDONJSA-N 0 1 375.313 3.255 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)cc1OCC ZINC000026540894 1399898435 /nfs/dbraw/zinc/89/84/35/1399898435.db2.gz GCILQKCJCLYJDX-UHFFFAOYSA-N 0 1 399.440 3.441 20 0 GGADMN O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000026617698 1399908579 /nfs/dbraw/zinc/90/85/79/1399908579.db2.gz PDYUYJNRPFERIA-UHFFFAOYSA-N 0 1 379.435 3.428 20 0 GGADMN O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000026617698 1399908592 /nfs/dbraw/zinc/90/85/92/1399908592.db2.gz PDYUYJNRPFERIA-UHFFFAOYSA-N 0 1 379.435 3.428 20 0 GGADMN Cc1cc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)n2ncnc2n1 ZINC000026708898 1399923510 /nfs/dbraw/zinc/92/35/10/1399923510.db2.gz DCCDQXNPAYTMST-UHFFFAOYSA-N 0 1 390.516 3.483 20 0 GGADMN NC(=O)c1cccnc1N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000026708951 1399924868 /nfs/dbraw/zinc/92/48/68/1399924868.db2.gz VSKCUKJPFWQLEC-UHFFFAOYSA-N 0 1 378.501 3.231 20 0 GGADMN O=c1cc(CN2CCC[C@H]2COc2ccc(Cl)cc2)nc2sccn21 ZINC000026722864 1399925610 /nfs/dbraw/zinc/92/56/10/1399925610.db2.gz DMUHIWHDGQRVFC-HNNXBMFYSA-N 0 1 375.881 3.453 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccccc3C)CC2)c(OC)c1 ZINC000026763058 1399930758 /nfs/dbraw/zinc/93/07/58/1399930758.db2.gz ULMBLDNQEIFCQF-GOSISDBHSA-N 0 1 397.519 3.157 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCN(Cc2ccccc2C)CC1 ZINC000026763097 1399930838 /nfs/dbraw/zinc/93/08/38/1399930838.db2.gz LBFHREMGNBAFLC-WOJBJXKFSA-N 0 1 395.547 3.387 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000026833094 1399939361 /nfs/dbraw/zinc/93/93/61/1399939361.db2.gz OIIJIYJBJQUQEW-UHFFFAOYSA-N 0 1 395.528 3.270 20 0 GGADMN O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000026832985 1399939660 /nfs/dbraw/zinc/93/96/60/1399939660.db2.gz FGISCMYFBNARFC-UHFFFAOYSA-N 0 1 398.450 3.432 20 0 GGADMN C[C@H](NCC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1Cl ZINC000026855304 1399942317 /nfs/dbraw/zinc/94/23/17/1399942317.db2.gz PBLZTNCQCKAMMU-KRWDZBQOSA-N 0 1 393.959 3.142 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000026861855 1399943659 /nfs/dbraw/zinc/94/36/59/1399943659.db2.gz PBROQAIQMXHMET-INIZCTEOSA-N 0 1 387.911 3.462 20 0 GGADMN CCc1n[nH]c(S[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)n1 ZINC000026867931 1399944621 /nfs/dbraw/zinc/94/46/21/1399944621.db2.gz GJKRZPGEPCYVMN-SFHVURJKSA-N 0 1 396.472 3.246 20 0 GGADMN CCc1nc(S[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)n[nH]1 ZINC000026867931 1399944626 /nfs/dbraw/zinc/94/46/26/1399944626.db2.gz GJKRZPGEPCYVMN-SFHVURJKSA-N 0 1 396.472 3.246 20 0 GGADMN CCOc1ccc(S(=O)(=O)NCC(C)(C)N2CCCCC2)cc1OCC ZINC000026885553 1399947441 /nfs/dbraw/zinc/94/74/41/1399947441.db2.gz WNXHCPPLAZQRGR-UHFFFAOYSA-N 0 1 384.542 3.027 20 0 GGADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000026933810 1399953393 /nfs/dbraw/zinc/95/33/93/1399953393.db2.gz GZIQWUBWQIEASM-GOSISDBHSA-N 0 1 380.488 3.120 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC4(CC3)OCCO4)ccc2c1 ZINC000026938349 1399954520 /nfs/dbraw/zinc/95/45/20/1399954520.db2.gz AZWOOZODDHGTLK-QGZVFWFLSA-N 0 1 398.503 3.034 20 0 GGADMN COCCOc1ccc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)cc1F ZINC000055727486 1407069634 /nfs/dbraw/zinc/06/96/34/1407069634.db2.gz YEJWZJQFTYTKNH-UHFFFAOYSA-N 0 1 389.408 3.415 20 0 GGADMN Cc1cc(N[C@H](C)C(=O)NCCc2ccc(F)cc2)ccc1N1CCN(C)CC1 ZINC000026999307 1399961475 /nfs/dbraw/zinc/96/14/75/1399961475.db2.gz FQEASCMIYAYXOD-GOSISDBHSA-N 0 1 398.526 3.045 20 0 GGADMN Cc1cc(N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1N1CCN(C)CC1 ZINC000026999427 1399961520 /nfs/dbraw/zinc/96/15/20/1399961520.db2.gz VUHRFOPMUBBODQ-SFHVURJKSA-N 0 1 395.551 3.252 20 0 GGADMN Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1N1CCN(C)CC1 ZINC000026998928 1399961533 /nfs/dbraw/zinc/96/15/33/1399961533.db2.gz KLTLSAMNHWHSFW-KRWDZBQOSA-N 0 1 377.492 3.058 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1 ZINC000026999570 1399961662 /nfs/dbraw/zinc/96/16/62/1399961662.db2.gz HUJBYFAKVFYUIZ-KRWDZBQOSA-N 0 1 382.508 3.195 20 0 GGADMN Cc1cc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)ccc1N1CCN(C)CC1 ZINC000026999312 1399961737 /nfs/dbraw/zinc/96/17/37/1399961737.db2.gz FQEASCMIYAYXOD-SFHVURJKSA-N 0 1 398.526 3.045 20 0 GGADMN Cc1cc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1N1CCN(C)CC1 ZINC000026999663 1399962040 /nfs/dbraw/zinc/96/20/40/1399962040.db2.gz YVZGMVQCEQXLKZ-HNNXBMFYSA-N 0 1 387.915 3.234 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000027000068 1399962541 /nfs/dbraw/zinc/96/25/41/1399962541.db2.gz RKGSVUFWQPLJJD-IBGZPJMESA-N 0 1 380.536 3.172 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@@H](C)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000027000072 1399962786 /nfs/dbraw/zinc/96/27/86/1399962786.db2.gz SJFMZKVBTQFHSU-HXUWFJFHSA-N 0 1 394.563 3.215 20 0 GGADMN Cc1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)ccc1N1CCN(C)CC1 ZINC000027000026 1399962933 /nfs/dbraw/zinc/96/29/33/1399962933.db2.gz DYWTWGGOIJLINP-HNNXBMFYSA-N 0 1 388.462 3.464 20 0 GGADMN C[C@H](NCc1ccccc1CN1CCCC1=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000027005248 1399963739 /nfs/dbraw/zinc/96/37/39/1399963739.db2.gz UKTOZTIIBFPESP-AWEZNQCLSA-N 0 1 387.430 3.204 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000027035620 1399969808 /nfs/dbraw/zinc/96/98/08/1399969808.db2.gz VBAIBTJPDAGNAW-UONOGXRCSA-N 0 1 383.448 3.094 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCc2ccccc21 ZINC000027034114 1399969901 /nfs/dbraw/zinc/96/99/01/1399969901.db2.gz MDEVLBJXGWHLTE-HUUCEWRRSA-N 0 1 379.460 3.036 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000027035794 1399970215 /nfs/dbraw/zinc/97/02/15/1399970215.db2.gz NIABIZNHYIFSOA-IHRRRGAJSA-N 0 1 385.439 3.073 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000027036934 1399971235 /nfs/dbraw/zinc/97/12/35/1399971235.db2.gz GMCMFWOYHLDGQI-OLZOCXBDSA-N 0 1 387.867 3.026 20 0 GGADMN C[C@H](C(=O)Nc1nccs1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000027263779 1400012394 /nfs/dbraw/zinc/01/23/94/1400012394.db2.gz WAAJBCDRYKHKTA-MRXNPFEDSA-N 0 1 380.517 3.441 20 0 GGADMN Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3ccco3)N3CCCC3)c(C)n2n1 ZINC000027334952 1400020225 /nfs/dbraw/zinc/02/02/25/1400020225.db2.gz VUYZQCVFGPONTE-LJQANCHMSA-N 0 1 395.507 3.133 20 0 GGADMN Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2cnn(C(C)C)c2n1 ZINC000027335825 1400020383 /nfs/dbraw/zinc/02/03/83/1400020383.db2.gz QUDIANGXWBENDK-GOSISDBHSA-N 0 1 381.480 3.481 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000027335913 1400020595 /nfs/dbraw/zinc/02/05/95/1400020595.db2.gz OETGVSWBPQNUAQ-GOSISDBHSA-N 0 1 381.480 3.481 20 0 GGADMN Cc1[nH]c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)c1C(=O)OC(C)C ZINC000027334579 1400020689 /nfs/dbraw/zinc/02/06/89/1400020689.db2.gz DXISEWDSGJDXDF-INIZCTEOSA-N 0 1 387.480 3.357 20 0 GGADMN Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccco3)N3CCCC3)c(C)n2n1 ZINC000027334954 1400020712 /nfs/dbraw/zinc/02/07/12/1400020712.db2.gz VUYZQCVFGPONTE-IBGZPJMESA-N 0 1 395.507 3.133 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(C)cc1 ZINC000027336040 1400020892 /nfs/dbraw/zinc/02/08/92/1400020892.db2.gz AUWSUYRWOWAJLO-VQTJNVASSA-N 0 1 383.492 3.109 20 0 GGADMN COc1cccc([C@@H](CNC(=O)COc2ccc(C)cc2OC)N2CCCC2)c1 ZINC000027340420 1400021395 /nfs/dbraw/zinc/02/13/95/1400021395.db2.gz SSMCPYDXVASBHX-HXUWFJFHSA-N 0 1 398.503 3.344 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)N2CCCC2)c1 ZINC000027341277 1400021458 /nfs/dbraw/zinc/02/14/58/1400021458.db2.gz KBLOOHCYYLPIOM-HXUWFJFHSA-N 0 1 396.487 3.423 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)C(=O)OC ZINC000027358874 1400025998 /nfs/dbraw/zinc/02/59/98/1400025998.db2.gz REIPCKNDSRBJKN-SCLBCKFNSA-N 0 1 389.521 3.105 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N2CCCN(Cc3ccccc3C)CC2)n1 ZINC000027386699 1400029860 /nfs/dbraw/zinc/02/98/60/1400029860.db2.gz VYLPPRICNULHAE-UHFFFAOYSA-N 0 1 384.549 3.228 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1F)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027417508 1400036001 /nfs/dbraw/zinc/03/60/01/1400036001.db2.gz XNBGJLLEMDWTMT-MRXNPFEDSA-N 0 1 383.467 3.181 20 0 GGADMN CC(C)N1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000027421306 1400036171 /nfs/dbraw/zinc/03/61/71/1400036171.db2.gz HFWDLIZYKIVSQQ-HXUWFJFHSA-N 0 1 375.513 3.119 20 0 GGADMN Cc1ccc(C2=NN(C(=O)CN3CCN(C(C)C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000027420105 1400036245 /nfs/dbraw/zinc/03/62/45/1400036245.db2.gz ICONAVCQLJPWPZ-OAQYLSRUSA-N 0 1 394.519 3.292 20 0 GGADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N[C@H]1CCOc2ccccc21 ZINC000027440091 1400040425 /nfs/dbraw/zinc/04/04/25/1400040425.db2.gz AAFPCIPVKHPWDN-HNNXBMFYSA-N 0 1 384.436 3.343 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000027553839 1400056240 /nfs/dbraw/zinc/05/62/40/1400056240.db2.gz VPUXDCUKNDUZCN-WMZOPIPTSA-N 0 1 387.524 3.222 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N1CCCCC1 ZINC000055752527 1407074254 /nfs/dbraw/zinc/07/42/54/1407074254.db2.gz NPSYNFZAKMXUSK-LJQANCHMSA-N 0 1 382.508 3.113 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(CCc3ccccc3)CC2)c1 ZINC000027575329 1400060496 /nfs/dbraw/zinc/06/04/96/1400060496.db2.gz PKXLTERBCSGCPI-GOSISDBHSA-N 0 1 379.504 3.077 20 0 GGADMN CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027572842 1400061057 /nfs/dbraw/zinc/06/10/57/1400061057.db2.gz FGWJHGQMPKANAB-HXUWFJFHSA-N 0 1 379.504 3.386 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000027577910 1400061898 /nfs/dbraw/zinc/06/18/98/1400061898.db2.gz QLMWVWHZXBHIRD-LJQANCHMSA-N 0 1 381.520 3.273 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000027578316 1400062070 /nfs/dbraw/zinc/06/20/70/1400062070.db2.gz APONXVSAILZOOP-QFIPXVFZSA-N 0 1 381.520 3.273 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(F)c1 ZINC000027592589 1400063534 /nfs/dbraw/zinc/06/35/34/1400063534.db2.gz FCLKRUFHHYWUPC-INIZCTEOSA-N 0 1 378.831 3.283 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccc(F)c1 ZINC000027594293 1400063842 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Cc1cccc(N2C[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)c1C ZINC000027675311 1400074416 /nfs/dbraw/zinc/07/44/16/1400074416.db2.gz GPYNYPQGXAVTOJ-AEFFLSMTSA-N 0 1 385.533 3.137 20 0 GGADMN CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O ZINC000027675608 1400074702 /nfs/dbraw/zinc/07/47/02/1400074702.db2.gz AUMFKHOWXBTOPX-AEFFLSMTSA-N 0 1 385.533 3.083 20 0 GGADMN Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000027675511 1400075216 /nfs/dbraw/zinc/07/52/16/1400075216.db2.gz QAWPHMKFGYFLRJ-INIZCTEOSA-N 0 1 391.562 3.147 20 0 GGADMN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000027677553 1400075566 /nfs/dbraw/zinc/07/55/66/1400075566.db2.gz ZMHRKZRWHMIWKY-KRWDZBQOSA-N 0 1 387.549 3.195 20 0 GGADMN C[C@H](C(=O)NC1CCC(C)CC1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000027693883 1400077725 /nfs/dbraw/zinc/07/77/25/1400077725.db2.gz LNZCBZVATFRSCD-UPTPFMHGSA-N 0 1 387.524 3.126 20 0 GGADMN COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027952319 1400109484 /nfs/dbraw/zinc/10/94/84/1400109484.db2.gz ADPBQYDEKIBYBZ-IEBWSBKVSA-N 0 1 395.503 3.051 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952363 1400109634 /nfs/dbraw/zinc/10/96/34/1400109634.db2.gz DDJDHZJJCVVESX-UYAOXDASSA-N 0 1 379.504 3.350 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952359 1400109967 /nfs/dbraw/zinc/10/99/67/1400109967.db2.gz IDBIWBDKPVPSPP-PZJWPPBQSA-N 0 1 393.531 3.393 20 0 GGADMN COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027952323 1400110015 /nfs/dbraw/zinc/11/00/15/1400110015.db2.gz ADPBQYDEKIBYBZ-PKOBYXMFSA-N 0 1 395.503 3.051 20 0 GGADMN Cc1ccc([C@@H](NC(=O)CN2CCN(CCc3ccccc3)CC2)C2CC2)cc1 ZINC000027958381 1400110610 /nfs/dbraw/zinc/11/06/10/1400110610.db2.gz NUAZXGOMJSJRFI-RUZDIDTESA-N 0 1 391.559 3.423 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000027971601 1400112553 /nfs/dbraw/zinc/11/25/53/1400112553.db2.gz BDKNBJOYMPFPIJ-UHFFFAOYSA-N 0 1 399.516 3.421 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)[nH]n2)cc1 ZINC000027976684 1400114033 /nfs/dbraw/zinc/11/40/33/1400114033.db2.gz OIKLVGZZPYDMQB-UHFFFAOYSA-N 0 1 390.443 3.110 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000028014231 1400117821 /nfs/dbraw/zinc/11/78/21/1400117821.db2.gz KBHOJNXOJZTMAX-MRXNPFEDSA-N 0 1 375.538 3.092 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000028013557 1400117890 /nfs/dbraw/zinc/11/78/90/1400117890.db2.gz KMDRSHZATQDNDP-KRWDZBQOSA-N 0 1 380.488 3.397 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)COc2ccccc2Cc2ccccc2)C1 ZINC000028014009 1400118219 /nfs/dbraw/zinc/11/82/19/1400118219.db2.gz WRIPKCALWABVAS-JOCHJYFZSA-N 0 1 396.531 3.129 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000028017029 1400118847 /nfs/dbraw/zinc/11/88/47/1400118847.db2.gz YSDFCZXCFIWJEI-JOCHJYFZSA-N 0 1 382.504 3.352 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000028319060 1400150494 /nfs/dbraw/zinc/15/04/94/1400150494.db2.gz VFOUKMOAAVELPP-OAQYLSRUSA-N 0 1 388.533 3.056 20 0 GGADMN CC(C)[C@@H](CNS(=O)(=O)c1ccccc1F)N1CCc2ccccc2C1 ZINC000028318996 1400150546 /nfs/dbraw/zinc/15/05/46/1400150546.db2.gz KWVBBGWHAWXHFL-LJQANCHMSA-N 0 1 376.497 3.187 20 0 GGADMN COc1cc2c(cc1CN[C@@H](CN1CCOCC1)c1ccccc1)O[C@H](C)C2 ZINC000028321510 1400150636 /nfs/dbraw/zinc/15/06/36/1400150636.db2.gz ICGUCYOVVMGJIF-UTKZUKDTSA-N 0 1 382.504 3.182 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000028338376 1400153484 /nfs/dbraw/zinc/15/34/84/1400153484.db2.gz CZBVYIOPVAGFEM-MSOLQXFVSA-N 0 1 394.519 3.033 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000028338728 1400153548 /nfs/dbraw/zinc/15/35/48/1400153548.db2.gz QCZANIVFNWLGKW-UONOGXRCSA-N 0 1 385.464 3.340 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000028339340 1400153651 /nfs/dbraw/zinc/15/36/51/1400153651.db2.gz WAKMOQVXYVNJGX-UONOGXRCSA-N 0 1 382.464 3.281 20 0 GGADMN CC[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000028403201 1400161218 /nfs/dbraw/zinc/16/12/18/1400161218.db2.gz XOIPLYWMEFCKQX-ZDUSSCGKSA-N 0 1 392.477 3.489 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)no1 ZINC000028634254 1400178927 /nfs/dbraw/zinc/17/89/27/1400178927.db2.gz QABGBZVMOLZDDY-UHFFFAOYSA-N 0 1 382.386 3.153 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnc(C)[nH]3)n2)cc1 ZINC000028655790 1400181121 /nfs/dbraw/zinc/18/11/21/1400181121.db2.gz FKAYWWNUCQLIOQ-VIFPVBQESA-N 0 1 375.479 3.365 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nc(C)n[nH]3)n2)cc1 ZINC000028655790 1400181126 /nfs/dbraw/zinc/18/11/26/1400181126.db2.gz FKAYWWNUCQLIOQ-VIFPVBQESA-N 0 1 375.479 3.365 20 0 GGADMN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2C)c1 ZINC000028661133 1400182111 /nfs/dbraw/zinc/18/21/11/1400182111.db2.gz AEEXATCHCSHNHQ-HOCLYGCPSA-N 0 1 375.490 3.284 20 0 GGADMN CC(=O)N1CCCN(C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000028694844 1400186456 /nfs/dbraw/zinc/18/64/56/1400186456.db2.gz SNNZEKIQUKSELR-QGZVFWFLSA-N 0 1 382.932 3.066 20 0 GGADMN O[C@H](COc1cccc2ccccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000028693847 1400186505 /nfs/dbraw/zinc/18/65/05/1400186505.db2.gz FHQJVHRPSACOSI-QHCPKHFHSA-N 0 1 390.527 3.440 20 0 GGADMN O[C@H](COc1ccc2ccccc2c1)CN1CCN(CCc2ccccc2)CC1 ZINC000028693851 1400186785 /nfs/dbraw/zinc/18/67/85/1400186785.db2.gz FVQGMGDTELUGCF-DEOSSOPVSA-N 0 1 390.527 3.440 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000028724805 1400189688 /nfs/dbraw/zinc/18/96/88/1400189688.db2.gz WNOYLYVXSZBSMX-LMNJBCLMSA-N 0 1 381.524 3.441 20 0 GGADMN CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000028748881 1400191307 /nfs/dbraw/zinc/19/13/07/1400191307.db2.gz ZKUSDMAZGDDHGS-UHFFFAOYSA-N 0 1 393.531 3.391 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C3CC3)n[nH]2)c1 ZINC000028759352 1400193166 /nfs/dbraw/zinc/19/31/66/1400193166.db2.gz BNYALBLHSQSDQF-LBPRGKRZSA-N 0 1 387.509 3.283 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2n[nH]c(C3CC3)n2)c1 ZINC000028759352 1400193173 /nfs/dbraw/zinc/19/31/73/1400193173.db2.gz BNYALBLHSQSDQF-LBPRGKRZSA-N 0 1 387.509 3.283 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)OC)cc1OCC ZINC000028783004 1400195245 /nfs/dbraw/zinc/19/52/45/1400195245.db2.gz DOVHKRYYGZRORB-UHFFFAOYSA-N 0 1 393.461 3.380 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCn3c4ccccc4oc3=O)n2)cc1 ZINC000028788970 1400196014 /nfs/dbraw/zinc/19/60/14/1400196014.db2.gz FJOWBWMLFLZYQV-UHFFFAOYSA-N 0 1 377.404 3.107 20 0 GGADMN S=c1oc(-c2ccncc2)nn1CN1CCN(CCc2ccccc2)CC1 ZINC000028812436 1400199543 /nfs/dbraw/zinc/19/95/43/1400199543.db2.gz HMKBRPQQLSNZTI-UHFFFAOYSA-N 0 1 381.505 3.085 20 0 GGADMN S=c1n(-c2ccccc2)cnn1CN1CCN(CCc2ccccc2)CC1 ZINC000028812392 1400199552 /nfs/dbraw/zinc/19/95/52/1400199552.db2.gz XXLOEVHDZNPXME-UHFFFAOYSA-N 0 1 379.533 3.221 20 0 GGADMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ccccc2O)CC1 ZINC000028835870 1400200990 /nfs/dbraw/zinc/20/09/90/1400200990.db2.gz HLQUKLSHNCFQFG-UHFFFAOYSA-N 0 1 382.851 3.398 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000028837358 1400201018 /nfs/dbraw/zinc/20/10/18/1400201018.db2.gz IYGGCFUHGHIFSF-PKOBYXMFSA-N 0 1 384.476 3.404 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1OC[C@H]1CCCO1 ZINC000028837362 1400201079 /nfs/dbraw/zinc/20/10/79/1400201079.db2.gz IYGGCFUHGHIFSF-IEBWSBKVSA-N 0 1 384.476 3.404 20 0 GGADMN CCOc1ccccc1N1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000028843570 1400202653 /nfs/dbraw/zinc/20/26/53/1400202653.db2.gz DHYMHYJEQZPPJL-UHFFFAOYSA-N 0 1 379.504 3.187 20 0 GGADMN COc1ccccc1N1CCN(CCC(=O)NCc2ccccc2Cl)CC1 ZINC000028842874 1400202771 /nfs/dbraw/zinc/20/27/71/1400202771.db2.gz HGPSLZACVXYTKB-UHFFFAOYSA-N 0 1 387.911 3.177 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccco2)c1 ZINC000028846685 1400203651 /nfs/dbraw/zinc/20/36/51/1400203651.db2.gz LJVPNTWGXGIIIT-UHFFFAOYSA-N 0 1 388.401 3.047 20 0 GGADMN Cc1nc(COc2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)n[nH]3)cc2)no1 ZINC000028856674 1400204316 /nfs/dbraw/zinc/20/43/16/1400204316.db2.gz HPZYOVFZFSTXKA-UHFFFAOYSA-N 0 1 390.403 3.303 20 0 GGADMN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1)c1ccc(C)cc1 ZINC000028856872 1400204369 /nfs/dbraw/zinc/20/43/69/1400204369.db2.gz IWXUFILBCOJKQO-SFHVURJKSA-N 0 1 377.448 3.295 20 0 GGADMN CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c(C)n1 ZINC000028855851 1400204435 /nfs/dbraw/zinc/20/44/35/1400204435.db2.gz YHYKSENWJWSIHI-UHFFFAOYSA-N 0 1 382.493 3.480 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2nnc(C(C)(C)C)[nH]2)c1 ZINC000028857028 1400204482 /nfs/dbraw/zinc/20/44/82/1400204482.db2.gz UUOVKMHOHFUCPS-NEPJUHHUSA-N 0 1 392.525 3.477 20 0 GGADMN CSc1ccccc1NC(=O)CCN1CCN(CCOc2ccccc2)CC1 ZINC000028883921 1400207662 /nfs/dbraw/zinc/20/76/62/1400207662.db2.gz HCVVRKHMVKNRAU-UHFFFAOYSA-N 0 1 399.560 3.434 20 0 GGADMN O=C(CCN1CCN(Cc2cccs2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000028886682 1400207699 /nfs/dbraw/zinc/20/76/99/1400207699.db2.gz VWDZEHQLXHBFOU-OAQYLSRUSA-N 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CC(=O)Nc1cccc([C@H](C)NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000056421797 1407326502 /nfs/dbraw/zinc/32/65/02/1407326502.db2.gz BOZDGCOKLKEILM-INIZCTEOSA-N 0 1 395.507 3.065 20 0 GGADMN Cc1cccc(OCCN(C)C(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000056421701 1407326618 /nfs/dbraw/zinc/32/66/18/1407326618.db2.gz DRYQEEUSTZBYTB-UHFFFAOYSA-N 0 1 382.508 3.075 20 0 GGADMN CN(CCCOc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000056421835 1407327299 /nfs/dbraw/zinc/32/72/99/1407327299.db2.gz BITDWMADXAJSJL-UHFFFAOYSA-N 0 1 382.508 3.157 20 0 GGADMN O=C(NCC1(c2ccccc2)CCC1)NC1CCN(Cc2ccncc2)CC1 ZINC000056422030 1407327557 /nfs/dbraw/zinc/32/75/57/1407327557.db2.gz PVBRHJQNOAVBKH-UHFFFAOYSA-N 0 1 378.520 3.467 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000056421992 1407327652 /nfs/dbraw/zinc/32/76/52/1407327652.db2.gz VPLGUBRAHZXQKX-UHFFFAOYSA-N 0 1 392.503 3.251 20 0 GGADMN Cc1ccc(SCCNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000056422166 1407327679 /nfs/dbraw/zinc/32/76/79/1407327679.db2.gz 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COc1cccc([C@@H](CNC(=O)Nc2nnc(C3CC3)s2)N2CCCC2)c1 ZINC000043360149 1403752271 /nfs/dbraw/zinc/75/22/71/1403752271.db2.gz HACYHDONEVLAQT-MRXNPFEDSA-N 0 1 387.509 3.383 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3nnc(C4CC4)s3)CC2)cc1 ZINC000043359856 1403752556 /nfs/dbraw/zinc/75/25/56/1403752556.db2.gz WWPDTAOVWXQODU-UHFFFAOYSA-N 0 1 387.509 3.164 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2nnc(C3CC3)s2)N2CCCC2)cc1 ZINC000043360287 1403752631 /nfs/dbraw/zinc/75/26/31/1403752631.db2.gz PJUMWIZDCXQQDA-MRXNPFEDSA-N 0 1 387.509 3.383 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1nnc(C2CC2)s1)N1CCCC1 ZINC000043360214 1403752641 /nfs/dbraw/zinc/75/26/41/1403752641.db2.gz CIJHHIQSMQKIPA-HNNXBMFYSA-N 0 1 387.509 3.383 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2nnc(C3CC3)s2)N2CCCC2)cc1 ZINC000043360288 1403753251 /nfs/dbraw/zinc/75/32/51/1403753251.db2.gz PJUMWIZDCXQQDA-INIZCTEOSA-N 0 1 387.509 3.383 20 0 GGADMN CN(Cc1ccccc1NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000043391110 1403756933 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CNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000043672794 1403800870 /nfs/dbraw/zinc/80/08/70/1403800870.db2.gz ZYLKQGWMURAYDN-IBGZPJMESA-N 0 1 396.491 3.013 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCCCC(C)=O)cc1 ZINC000043680769 1403802346 /nfs/dbraw/zinc/80/23/46/1403802346.db2.gz JPPJJJJELLYABX-UHFFFAOYSA-N 0 1 391.445 3.022 20 0 GGADMN NC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000043714524 1403806354 /nfs/dbraw/zinc/80/63/54/1403806354.db2.gz YKWNEINDQPAATN-SFHVURJKSA-N 0 1 386.883 3.398 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)n(-c2ccccn2)n1 ZINC000043723411 1403806946 /nfs/dbraw/zinc/80/69/46/1403806946.db2.gz XRZGUQMFGWEZJY-QGZVFWFLSA-N 0 1 390.491 3.144 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 ZINC000043733788 1403809636 /nfs/dbraw/zinc/80/96/36/1403809636.db2.gz MEUZOUJRVCAALO-HKUYNNGSSA-N 0 1 397.544 3.009 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 ZINC000043733786 1403809669 /nfs/dbraw/zinc/80/96/69/1403809669.db2.gz MEUZOUJRVCAALO-MJGOQNOKSA-N 0 1 397.544 3.009 20 0 GGADMN C[C@@H](Sc1nc(N)cc(N)n1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000043734913 1403809733 /nfs/dbraw/zinc/80/97/33/1403809733.db2.gz AIIAYZBIJFPJCD-SSDOTTSWSA-N 0 1 386.462 3.052 20 0 GGADMN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000043781619 1403816025 /nfs/dbraw/zinc/81/60/25/1403816025.db2.gz QEJPDDALDFLZRC-UHFFFAOYSA-N 0 1 392.434 3.380 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc(F)c1 ZINC000043797692 1403819006 /nfs/dbraw/zinc/81/90/06/1403819006.db2.gz IUZNXGAPDNIVMJ-FQEVSTJZSA-N 0 1 398.482 3.486 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccccc1C(=O)N1CCCC1 ZINC000043797147 1403819091 /nfs/dbraw/zinc/81/90/91/1403819091.db2.gz SDFBKEYQYITUCW-UHFFFAOYSA-N 0 1 392.503 3.102 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000043799284 1403819106 /nfs/dbraw/zinc/81/91/06/1403819106.db2.gz MMPCWDNDBHLYTE-OAQYLSRUSA-N 0 1 398.482 3.183 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccs1 ZINC000043797738 1403819118 /nfs/dbraw/zinc/81/91/18/1403819118.db2.gz KIGMPDPOZXGJLC-QGZVFWFLSA-N 0 1 386.521 3.409 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000056554159 1407359538 /nfs/dbraw/zinc/35/95/38/1407359538.db2.gz URPAETQSODXEOQ-SFHVURJKSA-N 0 1 388.443 3.453 20 0 GGADMN CCOc1ccc(CNC(=O)Nc2ccccc2N2CCN(C)CC2)cc1OC ZINC000043799926 1403819690 /nfs/dbraw/zinc/81/96/90/1403819690.db2.gz JODLUJJHUCDFNC-UHFFFAOYSA-N 0 1 398.507 3.167 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000043799945 1403819716 /nfs/dbraw/zinc/81/97/16/1403819716.db2.gz XYALMWXNGLMCON-MRXNPFEDSA-N 0 1 395.507 3.280 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043800359 1403819946 /nfs/dbraw/zinc/81/99/46/1403819946.db2.gz QBRBMJBFWJOWFR-UHFFFAOYSA-N 0 1 386.471 3.120 20 0 GGADMN Cc1cccc(OCCN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000043800354 1403819990 /nfs/dbraw/zinc/81/99/90/1403819990.db2.gz NPGUHOOEKGKIJX-UHFFFAOYSA-N 0 1 382.508 3.290 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1 ZINC000043810123 1403820989 /nfs/dbraw/zinc/82/09/89/1403820989.db2.gz GHFKSMDPRBISMT-UHFFFAOYSA-N 0 1 377.488 3.228 20 0 GGADMN CCN(C(=O)NC[C@@H]1CN(CC(C)C)CCO1)[C@@H](C)c1cccc(OC)c1 ZINC000043821265 1403821778 /nfs/dbraw/zinc/82/17/78/1403821778.db2.gz NLGCZICBENHZFS-FXAWDEMLSA-N 0 1 377.529 3.145 20 0 GGADMN CCN(C(=O)NC[C@H]1CN(CC(C)C)CCO1)[C@H](C)c1cccc(OC)c1 ZINC000043821276 1403821820 /nfs/dbraw/zinc/82/18/20/1403821820.db2.gz NLGCZICBENHZFS-XLIONFOSSA-N 0 1 377.529 3.145 20 0 GGADMN COc1ccc([C@H](NC(=O)NC[C@H]2CN(CC(C)C)CCO2)C(C)C)cc1 ZINC000043822536 1403821926 /nfs/dbraw/zinc/82/19/26/1403821926.db2.gz VXIPXTIBJLETTE-VQTJNVASSA-N 0 1 377.529 3.048 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1F ZINC000056554136 1407359810 /nfs/dbraw/zinc/35/98/10/1407359810.db2.gz ZJPKAGYYPZKZHL-GOSISDBHSA-N 0 1 393.434 3.414 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)ccc21 ZINC000043827100 1403823644 /nfs/dbraw/zinc/82/36/44/1403823644.db2.gz UYYLLCWCKCYMPX-LJQANCHMSA-N 0 1 382.464 3.147 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)NC[C@H](c3cccc(F)c3)N(C)C)ccc21 ZINC000043827024 1403823937 /nfs/dbraw/zinc/82/39/37/1403823937.db2.gz GUPWAZVOGFJFLC-HXUWFJFHSA-N 0 1 384.455 3.159 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000043850535 1403830811 /nfs/dbraw/zinc/83/08/11/1403830811.db2.gz MOGVBWAACAJQNN-IRXDYDNUSA-N 0 1 397.523 3.371 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000043850676 1403831251 /nfs/dbraw/zinc/83/12/51/1403831251.db2.gz BKTDILYWYZQHPQ-IBGZPJMESA-N 0 1 397.523 3.228 20 0 GGADMN C[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000043861406 1403833519 /nfs/dbraw/zinc/83/35/19/1403833519.db2.gz BQPKDDGEPKAXGT-GOSISDBHSA-N 0 1 385.552 3.380 20 0 GGADMN O=C(NCCSc1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000043861574 1403834169 /nfs/dbraw/zinc/83/41/69/1403834169.db2.gz VJCYYMOHTOAEEU-UHFFFAOYSA-N 0 1 397.972 3.186 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)N1CCc2ccccc2C1 ZINC000043873461 1403838290 /nfs/dbraw/zinc/83/82/90/1403838290.db2.gz JLRKIYYXHOVLJU-INIZCTEOSA-N 0 1 392.503 3.147 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc(F)c1 ZINC000043874921 1403839288 /nfs/dbraw/zinc/83/92/88/1403839288.db2.gz BVEUBXAQSWQFRH-LJQANCHMSA-N 0 1 384.455 3.142 20 0 GGADMN COc1ccc(OC)c(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1 ZINC000043877414 1403839758 /nfs/dbraw/zinc/83/97/58/1403839758.db2.gz CGESZXZMSJFMFL-UHFFFAOYSA-N 0 1 398.507 3.086 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cc2c(cc1Cl)OCCO2 ZINC000043902686 1403843346 /nfs/dbraw/zinc/84/33/46/1403843346.db2.gz ACZMTWAKCPCULZ-UHFFFAOYSA-N 0 1 387.867 3.291 20 0 GGADMN O=C(NC1CC1)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000043917821 1403844753 /nfs/dbraw/zinc/84/47/53/1403844753.db2.gz DGISUBVIHRXRQF-UHFFFAOYSA-N 0 1 392.503 3.319 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000043935954 1403848883 /nfs/dbraw/zinc/84/88/83/1403848883.db2.gz JFVJOWACZSQEPD-AWEZNQCLSA-N 0 1 395.931 3.334 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccccc2OCC(F)(F)F)C[C@@H](C)O1 ZINC000043959036 1403852805 /nfs/dbraw/zinc/85/28/05/1403852805.db2.gz UATCCUBNEBCLKJ-ZIAGYGMSSA-N 0 1 389.418 3.249 20 0 GGADMN c1nn(-c2ccccc2)c2ncnc(N=NC3CCN(Cc4ccccn4)CC3)c12 ZINC000043976629 1403854905 /nfs/dbraw/zinc/85/49/05/1403854905.db2.gz QQHUULZDJGJVBU-UHFFFAOYSA-N 0 1 398.474 3.274 20 0 GGADMN Cc1ccc(C)c2c1NC(=O)C2=NNc1ncnc2c1cnn2-c1ccccc1 ZINC000043976761 1403854922 /nfs/dbraw/zinc/85/49/22/1403854922.db2.gz QSXQPFMCSKKYNF-UHFFFAOYSA-N 0 1 383.415 3.201 20 0 GGADMN Cc1ccc2nc(CNC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cn2c1 ZINC000056561978 1407362043 /nfs/dbraw/zinc/36/20/43/1407362043.db2.gz ZFARIUSINBUKFM-UHFFFAOYSA-N 0 1 392.507 3.025 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000043992777 1403856681 /nfs/dbraw/zinc/85/66/81/1403856681.db2.gz PICOSIDLMRCINL-GOSISDBHSA-N 0 1 384.480 3.330 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)ccc1F ZINC000044015285 1403860349 /nfs/dbraw/zinc/86/03/49/1403860349.db2.gz UJKDJOHPBYKQEQ-AWEZNQCLSA-N 0 1 384.455 3.352 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccsc1 ZINC000044014049 1403860433 /nfs/dbraw/zinc/86/04/33/1403860433.db2.gz KDGJAVXYOZWDTE-GOSISDBHSA-N 0 1 386.521 3.409 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccsc1 ZINC000044014047 1403860478 /nfs/dbraw/zinc/86/04/78/1403860478.db2.gz KDGJAVXYOZWDTE-SFHVURJKSA-N 0 1 386.521 3.409 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000044016033 1403861035 /nfs/dbraw/zinc/86/10/35/1403861035.db2.gz UFTVJHXWGSMHGP-GOSISDBHSA-N 0 1 376.407 3.348 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000044018028 1403861685 /nfs/dbraw/zinc/86/16/85/1403861685.db2.gz FUYVNRMAOIIQCA-HNNXBMFYSA-N 0 1 375.391 3.064 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cccc(OC(F)(F)F)c2)C[C@H](C)O1 ZINC000044017926 1403861974 /nfs/dbraw/zinc/86/19/74/1403861974.db2.gz LKNIZJWIANSSDS-STQMWFEESA-N 0 1 375.391 3.206 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000044031391 1403863222 /nfs/dbraw/zinc/86/32/22/1403863222.db2.gz OTHQNEGCUBWWBZ-IAGOWNOFSA-N 0 1 390.528 3.292 20 0 GGADMN COc1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1NC(C)=O ZINC000044033582 1403864157 /nfs/dbraw/zinc/86/41/57/1403864157.db2.gz CBHVATWXLNFAGG-HNNXBMFYSA-N 0 1 396.491 3.222 20 0 GGADMN COc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1NC(C)=O ZINC000044034001 1403864403 /nfs/dbraw/zinc/86/44/03/1403864403.db2.gz PWBDKYUATFFXRM-INIZCTEOSA-N 0 1 376.482 3.140 20 0 GGADMN COc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1NC(C)=O ZINC000044036510 1403865760 /nfs/dbraw/zinc/86/57/60/1403865760.db2.gz GIAHRQNMVKHDMX-OAHLLOKOSA-N 0 1 376.482 3.140 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000044039654 1403866427 /nfs/dbraw/zinc/86/64/27/1403866427.db2.gz OXDPDFPGNOILKV-UHFFFAOYSA-N 0 1 390.491 3.316 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)Nc2ccccc2N2CCN(C)CC2)cc1C ZINC000044076006 1403870648 /nfs/dbraw/zinc/87/06/48/1403870648.db2.gz CDMZWFWQAOBNPM-UHFFFAOYSA-N 0 1 381.480 3.349 20 0 GGADMN COC(=O)c1cccc(CN2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000044088647 1403873714 /nfs/dbraw/zinc/87/37/14/1403873714.db2.gz MHLNMXUQOJQUCW-UHFFFAOYSA-N 0 1 375.472 3.339 20 0 GGADMN CCC(CC)[C@@H](CNC(=S)Nc1ccc(C(C)=O)cc1)N1CCOCC1 ZINC000044105144 1403876513 /nfs/dbraw/zinc/87/65/13/1403876513.db2.gz TVHMYZUILIFOGZ-LJQANCHMSA-N 0 1 377.554 3.313 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044101594 1403876548 /nfs/dbraw/zinc/87/65/48/1403876548.db2.gz HHRHZXDIJZZURQ-UHFFFAOYSA-N 0 1 378.476 3.215 20 0 GGADMN CCC(CC)[C@@H](CNC(=S)Nc1ccc(NC(C)=O)cc1)N1CCOCC1 ZINC000044105262 1403877194 /nfs/dbraw/zinc/87/71/94/1403877194.db2.gz RLOIWHLDIOJBHO-LJQANCHMSA-N 0 1 392.569 3.068 20 0 GGADMN COCC(=O)Nc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000044122170 1403879848 /nfs/dbraw/zinc/87/98/48/1403879848.db2.gz KUTGKHQRBVYBLC-UHFFFAOYSA-N 0 1 396.491 3.011 20 0 GGADMN Cc1csc([C@H](C#N)C(=O)COC(=O)c2cnn(-c3cccc(C)c3)c2C)n1 ZINC000044150383 1403887749 /nfs/dbraw/zinc/88/77/49/1403887749.db2.gz YSKFGGZPOGFFIY-MRXNPFEDSA-N 0 1 394.456 3.287 20 0 GGADMN Cc1csc(C(C#N)C(=O)COC(=O)c2cnn(-c3cccc(C)c3)c2C)n1 ZINC000044150383 1403887754 /nfs/dbraw/zinc/88/77/54/1403887754.db2.gz YSKFGGZPOGFFIY-MRXNPFEDSA-N 0 1 394.456 3.287 20 0 GGADMN Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cnn(-c3ccc(C)cc3)c2C)n1 ZINC000044153550 1403889114 /nfs/dbraw/zinc/88/91/14/1403889114.db2.gz IVJNHWBVBXEPLK-INIZCTEOSA-N 0 1 394.456 3.287 20 0 GGADMN Cc1csc(C(C#N)C(=O)COC(=O)c2cnn(-c3ccc(C)cc3)c2C)n1 ZINC000044153550 1403889118 /nfs/dbraw/zinc/88/91/18/1403889118.db2.gz IVJNHWBVBXEPLK-INIZCTEOSA-N 0 1 394.456 3.287 20 0 GGADMN CN1CCN(c2cc(CNC(=S)Nc3ccc4ccccc4c3)ccn2)CC1 ZINC000044153724 1403889926 /nfs/dbraw/zinc/88/99/26/1403889926.db2.gz KDGCYQXUBYNHRA-UHFFFAOYSA-N 0 1 391.544 3.473 20 0 GGADMN CNC(=O)c1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1C ZINC000044176623 1403894123 /nfs/dbraw/zinc/89/41/23/1403894123.db2.gz YAOGIKKZOYVIAX-UHFFFAOYSA-N 0 1 380.492 3.094 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)ccc2o1 ZINC000044255957 1403909326 /nfs/dbraw/zinc/90/93/26/1403909326.db2.gz NPDLXTSPVIZHIG-UHFFFAOYSA-N 0 1 385.319 3.492 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1cccc(F)c1 ZINC000044266343 1403910985 /nfs/dbraw/zinc/91/09/85/1403910985.db2.gz BDQHLTJUJRPQRZ-FQEVSTJZSA-N 0 1 381.455 3.495 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044314337 1403919799 /nfs/dbraw/zinc/91/97/99/1403919799.db2.gz VSOSCXXIQBYMRI-RBUKOAKNSA-N 0 1 397.485 3.289 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044314336 1403919914 /nfs/dbraw/zinc/91/99/14/1403919914.db2.gz VSOSCXXIQBYMRI-RTBURBONSA-N 0 1 397.485 3.289 20 0 GGADMN Cc1cnn(-c2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2)c1 ZINC000044331712 1403921358 /nfs/dbraw/zinc/92/13/58/1403921358.db2.gz LMDASONQQMMKSW-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000044359908 1403925008 /nfs/dbraw/zinc/92/50/08/1403925008.db2.gz SZFSBMRQDMNSME-GOSISDBHSA-N 0 1 388.537 3.318 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2-n2cccn2)ccc1N1CCN(C)CC1 ZINC000044384373 1403928518 /nfs/dbraw/zinc/92/85/18/1403928518.db2.gz YYHBTMWJWFFWBL-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN O=C1C[C@@H](c2noc(-c3cc(-c4ccco4)n[nH]3)n2)CN1Cc1ccccc1 ZINC000044425296 1403932567 /nfs/dbraw/zinc/93/25/67/1403932567.db2.gz HOILMUFLNZQPHP-CQSZACIVSA-N 0 1 375.388 3.236 20 0 GGADMN CN(Cc1ccc(F)c(F)c1)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000044440083 1403934735 /nfs/dbraw/zinc/93/47/35/1403934735.db2.gz IFBSIRICRJDWIH-UHFFFAOYSA-N 0 1 389.427 3.386 20 0 GGADMN CS(=O)(=O)c1cccc(NC(=O)N2CCCN(CC3CCCCC3)CC2)c1 ZINC000056575268 1407366420 /nfs/dbraw/zinc/36/64/20/1407366420.db2.gz DEEDQOXIAAAXMM-UHFFFAOYSA-N 0 1 393.553 3.210 20 0 GGADMN O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CCCO1 ZINC000044519290 1403942275 /nfs/dbraw/zinc/94/22/75/1403942275.db2.gz HYBCUTMAGABJGA-JOCHJYFZSA-N 0 1 379.504 3.122 20 0 GGADMN CC(C)CS(=O)(=O)CCC(=O)NCc1ccccc1CN1CCCC[C@@H]1C ZINC000044552894 1403949009 /nfs/dbraw/zinc/94/90/09/1403949009.db2.gz PMNFUROEDPODEO-SFHVURJKSA-N 0 1 394.581 3.138 20 0 GGADMN C[C@H](COc1ccccc1F)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000056582981 1407369294 /nfs/dbraw/zinc/36/92/94/1407369294.db2.gz VCRSPZBODXMSHH-MRXNPFEDSA-N 0 1 386.471 3.167 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000044803473 1404004387 /nfs/dbraw/zinc/00/43/87/1404004387.db2.gz MCWLBTFXOOISQK-STQMWFEESA-N 0 1 391.418 3.325 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000044802809 1404004641 /nfs/dbraw/zinc/00/46/41/1404004641.db2.gz CYTHFYSAKVATLI-NWDGAFQWSA-N 0 1 377.391 3.065 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000044802803 1404004662 /nfs/dbraw/zinc/00/46/62/1404004662.db2.gz CYTHFYSAKVATLI-RYUDHWBXSA-N 0 1 377.391 3.065 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000044803476 1404004944 /nfs/dbraw/zinc/00/49/44/1404004944.db2.gz MCWLBTFXOOISQK-OLZOCXBDSA-N 0 1 391.418 3.325 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)n[nH]1 ZINC000044836429 1404010174 /nfs/dbraw/zinc/01/01/74/1404010174.db2.gz GFEAHNMTXJZOAH-UHFFFAOYSA-N 0 1 392.459 3.143 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(Cn2ccnc2)c1 ZINC000044852466 1404012310 /nfs/dbraw/zinc/01/23/10/1404012310.db2.gz XEYLGPLTJJVVMZ-HXUWFJFHSA-N 0 1 378.476 3.481 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000044879672 1404016653 /nfs/dbraw/zinc/01/66/53/1404016653.db2.gz MENNPBTUXQAGEU-MOPGFXCFSA-N 0 1 397.485 3.289 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C4CCCC4)CC3)C2)c1 ZINC000044981542 1404029246 /nfs/dbraw/zinc/02/92/46/1404029246.db2.gz GPNGZHSTWQOCRG-HXUWFJFHSA-N 0 1 397.563 3.242 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2NC1=O ZINC000045000873 1404033699 /nfs/dbraw/zinc/03/36/99/1404033699.db2.gz BESQSSQLGTTWHA-AWEZNQCLSA-N 0 1 396.516 3.123 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(Cc1cccs1)C1CC1 ZINC000045008596 1404036466 /nfs/dbraw/zinc/03/64/66/1404036466.db2.gz JEUHWEDDPMBYHQ-KRWDZBQOSA-N 0 1 375.490 3.364 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3csc(-c4cnn(C)c4)n3)CC2)cc1 ZINC000045014187 1404038467 /nfs/dbraw/zinc/03/84/67/1404038467.db2.gz LGMVDMWCZBNISF-UHFFFAOYSA-N 0 1 395.532 3.200 20 0 GGADMN C[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1ccc(-n2ccnc2)cc1 ZINC000045042321 1404042976 /nfs/dbraw/zinc/04/29/76/1404042976.db2.gz LESBRACIUKUWSS-SFHVURJKSA-N 0 1 389.503 3.291 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000045042436 1404043262 /nfs/dbraw/zinc/04/32/62/1404043262.db2.gz DUILPGNMNDTGIJ-UHFFFAOYSA-N 0 1 377.488 3.249 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)[nH]n1 ZINC000045046290 1404044044 /nfs/dbraw/zinc/04/40/44/1404044044.db2.gz SNQBRJXPHXLKKB-UHFFFAOYSA-N 0 1 391.431 3.257 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)N1CCCC1 ZINC000045053274 1404045293 /nfs/dbraw/zinc/04/52/93/1404045293.db2.gz GUKIQAMMDFRVAS-NRFANRHFSA-N 0 1 390.487 3.448 20 0 GGADMN COc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)ccc1OCC(=O)NC(C)C ZINC000045056563 1404046740 /nfs/dbraw/zinc/04/67/40/1404046740.db2.gz QNMIPPSKHZOGLY-UHFFFAOYSA-N 0 1 396.447 3.036 20 0 GGADMN O=C(N=c1[nH]c(CN2CCCCCC2)cs1)c1cccc(Cn2ccnc2)c1 ZINC000045078914 1404049869 /nfs/dbraw/zinc/04/98/69/1404049869.db2.gz NWISDUYIELZKFA-UHFFFAOYSA-N 0 1 395.532 3.438 20 0 GGADMN O=C(N=c1[nH]c(CN2CCCCCC2)cs1)c1c(Cl)nc2ccccn21 ZINC000045078910 1404049971 /nfs/dbraw/zinc/04/99/71/1404049971.db2.gz XLNMEYFDQPFGJL-UHFFFAOYSA-N 0 1 389.912 3.494 20 0 GGADMN COc1cc(Br)c(OC)c(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000045085905 1404051204 /nfs/dbraw/zinc/05/12/04/1404051204.db2.gz SSANDKUPMCEYNA-UHFFFAOYSA-N 0 1 397.313 3.167 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000045127447 1404058998 /nfs/dbraw/zinc/05/89/98/1404058998.db2.gz UWXZCULWNAMMQU-MRXNPFEDSA-N 0 1 380.492 3.064 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)C(=O)NCCN1CCc2ccccc2C1 ZINC000045127275 1404059253 /nfs/dbraw/zinc/05/92/53/1404059253.db2.gz MOSGXUKUEZCQJY-UHFFFAOYSA-N 0 1 381.476 3.005 20 0 GGADMN COc1ccc([C@@H](NC(=O)N2CCC(CN3CCOCC3)CC2)C(C)C)cc1 ZINC000045149278 1404063853 /nfs/dbraw/zinc/06/38/53/1404063853.db2.gz JCRNYPDNXPHBMF-NRFANRHFSA-N 0 1 389.540 3.146 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056610666 1407377673 /nfs/dbraw/zinc/37/76/73/1407377673.db2.gz NHPXTDWXNMHKRN-OAQYLSRUSA-N 0 1 398.507 3.030 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCN(CC(C)C)CC1 ZINC000045188537 1404071043 /nfs/dbraw/zinc/07/10/43/1404071043.db2.gz RZBAKRJARXQWJE-UHFFFAOYSA-N 0 1 383.540 3.031 20 0 GGADMN O=C(NCc1ccccc1N1CCCC1)NC1CCN(Cc2ccccn2)CC1 ZINC000056610680 1407378187 /nfs/dbraw/zinc/37/81/87/1407378187.db2.gz FVUHGKZLMBPWSX-UHFFFAOYSA-N 0 1 393.535 3.146 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)N[C@H](C)c3nnc4ccccn43)CC2)cc1 ZINC000045252683 1404084781 /nfs/dbraw/zinc/08/47/81/1404084781.db2.gz IQLAMESQDNBLGJ-GOSISDBHSA-N 0 1 392.507 3.016 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000045288221 1404091066 /nfs/dbraw/zinc/09/10/66/1404091066.db2.gz NGOYKQZXBDZKNX-UHFFFAOYSA-N 0 1 378.476 3.039 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1 ZINC000045287642 1404091194 /nfs/dbraw/zinc/09/11/94/1404091194.db2.gz IWVXICJJMPUPOD-UHFFFAOYSA-N 0 1 380.488 3.167 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056624147 1407384057 /nfs/dbraw/zinc/38/40/57/1407384057.db2.gz IULCOFDIYCENJB-OAQYLSRUSA-N 0 1 383.492 3.029 20 0 GGADMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000045310612 1404095943 /nfs/dbraw/zinc/09/59/43/1404095943.db2.gz CIVHADLSIALSMP-GFCCVEGCSA-N 0 1 390.403 3.367 20 0 GGADMN Cc1nc2ccc(NC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)cc2[nH]1 ZINC000045312188 1404096972 /nfs/dbraw/zinc/09/69/72/1404096972.db2.gz HDMAQWRJBGDCHL-UHFFFAOYSA-N 0 1 389.463 3.262 20 0 GGADMN CC(C)N1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000045427370 1404120407 /nfs/dbraw/zinc/12/04/07/1404120407.db2.gz DSPGKWJSJHJZGI-NRFANRHFSA-N 0 1 379.504 3.100 20 0 GGADMN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000045444113 1404122366 /nfs/dbraw/zinc/12/23/66/1404122366.db2.gz VGLIKXPPVOIJHW-CVEARBPZSA-N 0 1 383.558 3.406 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccsc1 ZINC000045444049 1404122511 /nfs/dbraw/zinc/12/25/11/1404122511.db2.gz URIAMPNFLGFIEH-MRXNPFEDSA-N 0 1 387.534 3.191 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000045454950 1404124770 /nfs/dbraw/zinc/12/47/70/1404124770.db2.gz FLQSVWMGXIFWBL-CALCHBBNSA-N 0 1 384.524 3.043 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(OCc3cccnc3)c2)C[C@@H](C)O1 ZINC000045454456 1404124853 /nfs/dbraw/zinc/12/48/53/1404124853.db2.gz FPYFNJPBDSTFPW-QZTJIDSGSA-N 0 1 398.507 3.281 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000045456095 1404125363 /nfs/dbraw/zinc/12/53/63/1404125363.db2.gz RWHXLTZZHALLFQ-OPYAIIAOSA-N 0 1 389.540 3.431 20 0 GGADMN Cc1noc(C)c1CSCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000045455458 1404125526 /nfs/dbraw/zinc/12/55/26/1404125526.db2.gz UZJDEQZAXLTILR-UHFFFAOYSA-N 0 1 387.549 3.478 20 0 GGADMN COc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000045465016 1404126941 /nfs/dbraw/zinc/12/69/41/1404126941.db2.gz TWRMROVBXZSTPF-KRWDZBQOSA-N 0 1 390.487 3.058 20 0 GGADMN Cc1c(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cnn1-c1ccc(F)cc1 ZINC000045465483 1404127682 /nfs/dbraw/zinc/12/76/82/1404127682.db2.gz RFAIGRBHQDOCGN-MRXNPFEDSA-N 0 1 392.478 3.496 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC1CCN(Cc2ccccn2)CC1)Nc1ccccc1 ZINC000045483090 1404128992 /nfs/dbraw/zinc/12/89/92/1404128992.db2.gz IIYBCPDONPJLPA-JOCHJYFZSA-N 0 1 395.551 3.482 20 0 GGADMN COc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1OC(F)F ZINC000045498593 1404133051 /nfs/dbraw/zinc/13/30/51/1404133051.db2.gz ZIOUTBXXGQOAJC-CQSZACIVSA-N 0 1 390.430 3.473 20 0 GGADMN C[C@@H](CNC(=O)CSc1nc2ccccc2o1)N1CCc2ccccc2C1 ZINC000045498493 1404133130 /nfs/dbraw/zinc/13/31/30/1404133130.db2.gz NTTVKQFCLFDGCU-HNNXBMFYSA-N 0 1 381.501 3.483 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000045539201 1404142731 /nfs/dbraw/zinc/14/27/31/1404142731.db2.gz QDFIDRJVEBLJHC-UHFFFAOYSA-N 0 1 379.464 3.124 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000045543776 1404143431 /nfs/dbraw/zinc/14/34/31/1404143431.db2.gz KLWVVFDDENEKGI-IRXDYDNUSA-N 0 1 394.519 3.452 20 0 GGADMN C[C@H](CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)N1CCc2ccccc2C1 ZINC000045543560 1404144098 /nfs/dbraw/zinc/14/40/98/1404144098.db2.gz GPCFCOFKABNSNE-CVEARBPZSA-N 0 1 377.492 3.370 20 0 GGADMN 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GGADMN Cc1oc(-c2cccs2)nc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046744990 1404574913 /nfs/dbraw/zinc/57/49/13/1404574913.db2.gz QEEHRJAAYYLNAR-OAHLLOKOSA-N 0 1 375.494 3.038 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)N1CCCC1 ZINC000046763079 1404581688 /nfs/dbraw/zinc/58/16/88/1404581688.db2.gz ZLCNSTGKRRVFIZ-LJQANCHMSA-N 0 1 392.459 3.312 20 0 GGADMN COc1ccc2c(ccn2CC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000046765695 1404582519 /nfs/dbraw/zinc/58/25/19/1404582519.db2.gz WQEXSQZGTRFUSE-NRFANRHFSA-N 0 1 381.476 3.078 20 0 GGADMN Cc1cc(C)n(-c2ccc(CC(=O)NCC(C)(C)N3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000046778012 1404585616 /nfs/dbraw/zinc/58/56/16/1404585616.db2.gz UBNZXMSEESLKDJ-KDURUIRLSA-N 0 1 398.551 3.036 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3ccc(C)c(NC(C)=O)c3)CC2)cc1 ZINC000046811140 1404598130 /nfs/dbraw/zinc/59/81/30/1404598130.db2.gz GGIMZVZKDHXBRA-UHFFFAOYSA-N 0 1 395.503 3.310 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000056740158 1407415867 /nfs/dbraw/zinc/41/58/67/1407415867.db2.gz GORXVBNARGALND-GOSISDBHSA-N 0 1 388.443 3.453 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc2ncccc21)c1ccc2c(c1)NC(=O)CO2 ZINC000046819562 1404602379 /nfs/dbraw/zinc/60/23/79/1404602379.db2.gz QQUTVCOADWWNLP-KGLIPLIRSA-N 0 1 390.443 3.244 20 0 GGADMN COc1ccc(-c2nc(C(=O)NCCN3CCCCC3)cs2)cc1OC ZINC000046855765 1404614745 /nfs/dbraw/zinc/61/47/45/1404614745.db2.gz SWAOJILDLVDADJ-UHFFFAOYSA-N 0 1 375.494 3.043 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N(C)Cc3cccs3)CC2)c1 ZINC000046867391 1404618407 /nfs/dbraw/zinc/61/84/07/1404618407.db2.gz JGRWPGBJXQZQGG-UHFFFAOYSA-N 0 1 386.565 3.410 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N3CCn4cccc4[C@@H]3C)CC2)c1 ZINC000046867780 1404618469 /nfs/dbraw/zinc/61/84/69/1404618469.db2.gz MVGKYFWVPGYRHQ-FQEVSTJZSA-N 0 1 395.551 3.095 20 0 GGADMN CCN(CC)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000046870169 1404619076 /nfs/dbraw/zinc/61/90/76/1404619076.db2.gz GZCXJVPISDAEIX-UHFFFAOYSA-N 0 1 376.478 3.286 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@H]3CCCOC3)cc2Cl)CC1 ZINC000056743216 1407417208 /nfs/dbraw/zinc/41/72/08/1407417208.db2.gz ULQIXMKBXHRIOW-MRXNPFEDSA-N 0 1 394.947 3.420 20 0 GGADMN COCCN(Cc1cccs1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000047004434 1404670927 /nfs/dbraw/zinc/67/09/27/1404670927.db2.gz UAXTZAKSGVCGPS-QGZVFWFLSA-N 0 1 387.549 3.353 20 0 GGADMN Cc1cc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc(C)c1O ZINC000047026869 1404679633 /nfs/dbraw/zinc/67/96/33/1404679633.db2.gz IBFRCFQNIMNKRT-UHFFFAOYSA-N 0 1 382.508 3.391 20 0 GGADMN Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCC3CCC3)cc12 ZINC000047053574 1404689760 /nfs/dbraw/zinc/68/97/60/1404689760.db2.gz HYSVEGRHSKFEMZ-UHFFFAOYSA-N 0 1 383.477 3.140 20 0 GGADMN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000047072852 1404695848 /nfs/dbraw/zinc/69/58/48/1404695848.db2.gz MSQRKKNPQXGATD-UHFFFAOYSA-N 0 1 379.445 3.237 20 0 GGADMN C[C@@H](CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)N1CCc2ccccc21 ZINC000047089561 1404701331 /nfs/dbraw/zinc/70/13/31/1404701331.db2.gz GRMZLJLJYBIBDL-LBPRGKRZSA-N 0 1 380.473 3.179 20 0 GGADMN Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCc3ccoc3)cc12 ZINC000047088961 1404701887 /nfs/dbraw/zinc/70/18/87/1404701887.db2.gz PPPWBBBHQQLVNQ-UHFFFAOYSA-N 0 1 395.444 3.133 20 0 GGADMN C[C@H](CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)N1CCc2ccccc21 ZINC000047089563 1404702007 /nfs/dbraw/zinc/70/20/07/1404702007.db2.gz GRMZLJLJYBIBDL-GFCCVEGCSA-N 0 1 380.473 3.179 20 0 GGADMN C[C@@H](Cc1ccccc1Cl)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000047116851 1404711773 /nfs/dbraw/zinc/71/17/73/1404711773.db2.gz VWCUOAOKBGEFNU-INIZCTEOSA-N 0 1 379.932 3.025 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc4c[nH]nc43)CC2)cc1F ZINC000047201668 1404745851 /nfs/dbraw/zinc/74/58/51/1404745851.db2.gz QCEFJYNRVRHKSQ-UHFFFAOYSA-N 0 1 394.450 3.179 20 0 GGADMN Cc1ccc2nc(SCc3nnc4n3c3ccsc3c(=O)n4C)[nH]c2c1 ZINC000047203851 1404746251 /nfs/dbraw/zinc/74/62/51/1404746251.db2.gz CEGSECFIKVQJSI-UHFFFAOYSA-N 0 1 382.474 3.120 20 0 GGADMN CN(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Cl)cn1 ZINC000047245064 1404764669 /nfs/dbraw/zinc/76/46/69/1404764669.db2.gz ZIDQIMRUOFUNBF-MRXNPFEDSA-N 0 1 376.888 3.108 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c2cccnc12 ZINC000047251878 1404768558 /nfs/dbraw/zinc/76/85/58/1404768558.db2.gz ASHGFXKEQCLIBR-UHFFFAOYSA-N 0 1 397.456 3.171 20 0 GGADMN CC(C)N(C(=O)CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)C(C)C ZINC000047262217 1404774067 /nfs/dbraw/zinc/77/40/67/1404774067.db2.gz AAGNCZVEENTJPW-OAHLLOKOSA-N 0 1 380.920 3.031 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000047293066 1404791578 /nfs/dbraw/zinc/79/15/78/1404791578.db2.gz DOHYFFFWRRYJQO-LBPRGKRZSA-N 0 1 383.839 3.102 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000047302182 1404796141 /nfs/dbraw/zinc/79/61/41/1404796141.db2.gz OSUXNLNZWQCKNB-OAHLLOKOSA-N 0 1 385.468 3.080 20 0 GGADMN C[C@@H]1CCc2nc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)sc2C1 ZINC000047304036 1404796832 /nfs/dbraw/zinc/79/68/32/1404796832.db2.gz OYYBYWNWTCJFAY-OAHLLOKOSA-N 0 1 384.549 3.268 20 0 GGADMN CCCn1c2ccccc2nc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000047304094 1404797049 /nfs/dbraw/zinc/79/70/49/1404797049.db2.gz QQARCWVWJJQUNQ-UHFFFAOYSA-N 0 1 391.519 3.446 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000047304555 1404797555 /nfs/dbraw/zinc/79/75/55/1404797555.db2.gz GKGOWMCOVCRNBY-HSZRJFAPSA-N 0 1 393.531 3.420 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2)CC1 ZINC000047305220 1404798295 /nfs/dbraw/zinc/79/82/95/1404798295.db2.gz VJIHOZDWRIXMAJ-UHFFFAOYSA-N 0 1 392.503 3.035 20 0 GGADMN CCc1ccc(N(C(C)=O)c2nc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cs2)cc1 ZINC000047308254 1404799500 /nfs/dbraw/zinc/79/95/00/1404799500.db2.gz ISCODGGTKNEJAJ-HZPDHXFCSA-N 0 1 389.433 3.099 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n[nH]1 ZINC000047339071 1404811054 /nfs/dbraw/zinc/81/10/54/1404811054.db2.gz NJDFEMQTFIANPI-UHFFFAOYSA-N 0 1 390.487 3.433 20 0 GGADMN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000047342953 1404811441 /nfs/dbraw/zinc/81/14/41/1404811441.db2.gz FXRIJXZLYXOICQ-UHFFFAOYSA-N 0 1 396.357 3.371 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000047342985 1404811451 /nfs/dbraw/zinc/81/14/51/1404811451.db2.gz LLEJFYBIWZNURX-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)on1 ZINC000047366975 1404817665 /nfs/dbraw/zinc/81/76/65/1404817665.db2.gz BGBNJRWFVVQEFB-IBGZPJMESA-N 0 1 383.496 3.412 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000047389808 1404824398 /nfs/dbraw/zinc/82/43/98/1404824398.db2.gz DJODKPZPLFJXMZ-UHFFFAOYSA-N 0 1 398.482 3.362 20 0 GGADMN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000047397637 1404825760 /nfs/dbraw/zinc/82/57/60/1404825760.db2.gz TVEFUAJVKFHLCP-UHFFFAOYSA-N 0 1 376.888 3.026 20 0 GGADMN Cc1cc2occ(CC(=O)NCc3ccnc(N4CCN(C)CC4)c3)c2cc1C ZINC000047398393 1404826574 /nfs/dbraw/zinc/82/65/74/1404826574.db2.gz OYFMQNPQIDNNDN-UHFFFAOYSA-N 0 1 392.503 3.055 20 0 GGADMN CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ncnc2[nH]cnc21 ZINC000047404554 1404827226 /nfs/dbraw/zinc/82/72/26/1404827226.db2.gz YMHLLPKPKMBTIF-UHFFFAOYSA-N 0 1 388.431 3.007 20 0 GGADMN O=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000047405475 1404828025 /nfs/dbraw/zinc/82/80/25/1404828025.db2.gz XTDBEHGVBGLGRJ-KRWDZBQOSA-N 0 1 393.487 3.378 20 0 GGADMN O=C(C1c2ccccc2Oc2ccccc21)N1CCC(CN2CCOCC2)CC1 ZINC000047423037 1404832752 /nfs/dbraw/zinc/83/27/52/1404832752.db2.gz APQMYHURLBVZDT-UHFFFAOYSA-N 0 1 392.499 3.495 20 0 GGADMN O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(CN2CCOCC2)CC1 ZINC000047422978 1404832860 /nfs/dbraw/zinc/83/28/60/1404832860.db2.gz IMXANFLUSPMKHT-UHFFFAOYSA-N 0 1 382.504 3.450 20 0 GGADMN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000047435014 1404835307 /nfs/dbraw/zinc/83/53/07/1404835307.db2.gz RWBHWQDZEYFFHU-OKILXGFUSA-N 0 1 375.444 3.018 20 0 GGADMN Cc1c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000047434544 1404835382 /nfs/dbraw/zinc/83/53/82/1404835382.db2.gz XRGYDRIQLDXDQA-GJZGRUSLSA-N 0 1 390.915 3.063 20 0 GGADMN C[C@H]1CN(CCCNC(=O)COC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000047433429 1404835405 /nfs/dbraw/zinc/83/54/05/1404835405.db2.gz OGXRYGJCRXGDQC-PMACEKPBSA-N 0 1 396.531 3.408 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)COC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000047433430 1404835443 /nfs/dbraw/zinc/83/54/43/1404835443.db2.gz OGXRYGJCRXGDQC-WOJBJXKFSA-N 0 1 396.531 3.408 20 0 GGADMN O=C(NC1CCCCC1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000047436918 1404836036 /nfs/dbraw/zinc/83/60/36/1404836036.db2.gz UMEMRNOCLSDLEZ-UHFFFAOYSA-N 0 1 399.470 3.016 20 0 GGADMN CCCOc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000047454276 1404842561 /nfs/dbraw/zinc/84/25/61/1404842561.db2.gz KSBMSHGSXRHREN-UHFFFAOYSA-N 0 1 388.533 3.418 20 0 GGADMN O=C(Nc1cccc(Cn2cccn2)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000047503836 1404853800 /nfs/dbraw/zinc/85/38/00/1404853800.db2.gz XHDNOJCJIVZYLZ-UHFFFAOYSA-N 0 1 390.491 3.113 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000047519400 1404856491 /nfs/dbraw/zinc/85/64/91/1404856491.db2.gz JSHAOJLAPKOXHN-UHFFFAOYSA-N 0 1 395.507 3.008 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)nc2)CC1 ZINC000047523389 1404857613 /nfs/dbraw/zinc/85/76/13/1404857613.db2.gz ISFLCEREBHBJOI-UHFFFAOYSA-N 0 1 380.423 3.485 20 0 GGADMN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000047523083 1404857735 /nfs/dbraw/zinc/85/77/35/1404857735.db2.gz PBNNNIZWIUYJFI-HNNXBMFYSA-N 0 1 388.899 3.201 20 0 GGADMN COc1cc(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C ZINC000047538824 1404861856 /nfs/dbraw/zinc/86/18/56/1404861856.db2.gz CSNQKZHQUHYJSF-RTBURBONSA-N 0 1 396.531 3.472 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc4c(c3)CCO4)cc2)C[C@@H](C)O1 ZINC000047538818 1404861863 /nfs/dbraw/zinc/86/18/63/1404861863.db2.gz XQVDQSUCRADDOH-QZTJIDSGSA-N 0 1 394.515 3.090 20 0 GGADMN Cc1ccc(OCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047538662 1404862008 /nfs/dbraw/zinc/86/20/08/1404862008.db2.gz WPNZDEFOMRGZGS-KDURUIRLSA-N 0 1 382.504 3.299 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)CSc3ccncc3)cc2)C[C@H](C)O1 ZINC000047538585 1404862019 /nfs/dbraw/zinc/86/20/19/1404862019.db2.gz QQTHQLDDASLTQY-IRXDYDNUSA-N 0 1 385.533 3.099 20 0 GGADMN Cc1noc(C)c1CCC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047539119 1404862063 /nfs/dbraw/zinc/86/20/63/1404862063.db2.gz DHRBBYXQQYUBFY-HOTGVXAUSA-N 0 1 385.508 3.150 20 0 GGADMN Cc1ccccc1OCC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047539402 1404862570 /nfs/dbraw/zinc/86/25/70/1404862570.db2.gz KIPYCGNVFULVKT-OALUTQOASA-N 0 1 382.504 3.299 20 0 GGADMN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CCN(CC2CC2)CC1 ZINC000047547506 1404864880 /nfs/dbraw/zinc/86/48/80/1404864880.db2.gz GXYTVCLLRVWVDL-UHFFFAOYSA-N 0 1 391.365 3.449 20 0 GGADMN O=C(Nc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1)c1ccccc1 ZINC000047550796 1404865585 /nfs/dbraw/zinc/86/55/85/1404865585.db2.gz CWKAXDGUOFYIRQ-UHFFFAOYSA-N 0 1 378.476 3.498 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(SC(F)F)cc3)nc2)CC1 ZINC000047553071 1404866132 /nfs/dbraw/zinc/86/61/32/1404866132.db2.gz RVDCAVDBYFVTCD-UHFFFAOYSA-N 0 1 378.448 3.400 20 0 GGADMN CSCCCNC(=S)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047567304 1404869340 /nfs/dbraw/zinc/86/93/40/1404869340.db2.gz YUSQXMGJIPYUOA-HOTGVXAUSA-N 0 1 381.611 3.013 20 0 GGADMN CCOc1cc(NC(=O)NC2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000047582365 1404871877 /nfs/dbraw/zinc/87/18/77/1404871877.db2.gz RRRKGNSBIFCTQE-UHFFFAOYSA-N 0 1 384.480 3.275 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000047590299 1404874338 /nfs/dbraw/zinc/87/43/38/1404874338.db2.gz QZODPOHDHHHCBL-QGZVFWFLSA-N 0 1 377.510 3.336 20 0 GGADMN COc1cc(NC(=O)c2cccc3cn[nH]c32)c(C(=O)N2CCCC2)cc1OC ZINC000047587985 1404874440 /nfs/dbraw/zinc/87/44/40/1404874440.db2.gz WRLJVLQCBVXWDI-UHFFFAOYSA-N 0 1 394.431 3.068 20 0 GGADMN O=C(NCCCn1ccnc1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000047597212 1404876448 /nfs/dbraw/zinc/87/64/48/1404876448.db2.gz WILBSQJZIRTCEK-SFHVURJKSA-N 0 1 375.904 3.063 20 0 GGADMN Cc1cccc(S(=O)(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047593964 1404876497 /nfs/dbraw/zinc/87/64/97/1404876497.db2.gz BKUIDZDZOROIQP-ROUUACIJSA-N 0 1 388.533 3.083 20 0 GGADMN Cc1cccc(S(=O)(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000047593963 1404876536 /nfs/dbraw/zinc/87/65/36/1404876536.db2.gz BKUIDZDZOROIQP-QZTJIDSGSA-N 0 1 388.533 3.083 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000047607555 1404878332 /nfs/dbraw/zinc/87/83/32/1404878332.db2.gz WJYNWRNLNXNQCV-GASCZTMLSA-N 0 1 394.562 3.144 20 0 GGADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1OC ZINC000047608874 1404878344 /nfs/dbraw/zinc/87/83/44/1404878344.db2.gz NYPRWVHIEKEXRR-LSDHHAIUSA-N 0 1 391.512 3.292 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1OC ZINC000047608869 1404878396 /nfs/dbraw/zinc/87/83/96/1404878396.db2.gz NYPRWVHIEKEXRR-CABCVRRESA-N 0 1 391.512 3.292 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1OC ZINC000047608872 1404878520 /nfs/dbraw/zinc/87/85/20/1404878520.db2.gz NYPRWVHIEKEXRR-HUUCEWRRSA-N 0 1 391.512 3.292 20 0 GGADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC ZINC000047608977 1404878997 /nfs/dbraw/zinc/87/89/97/1404878997.db2.gz OHKWMNJLSKJCIW-JKSUJKDBSA-N 0 1 399.491 3.159 20 0 GGADMN COc1cc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)ccc1OCC(C)C ZINC000047609351 1404879034 /nfs/dbraw/zinc/87/90/34/1404879034.db2.gz ADLQMDAAHUCSRM-HUUCEWRRSA-N 0 1 379.501 3.003 20 0 GGADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)cc1OC ZINC000047609159 1404879154 /nfs/dbraw/zinc/87/91/54/1404879154.db2.gz XTRWKNIAEXYAOF-GJZGRUSLSA-N 0 1 399.491 3.131 20 0 GGADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC ZINC000047608972 1404879186 /nfs/dbraw/zinc/87/91/86/1404879186.db2.gz OHKWMNJLSKJCIW-HOTGVXAUSA-N 0 1 399.491 3.159 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)ccc1OCC(C)C ZINC000047609353 1404879197 /nfs/dbraw/zinc/87/91/97/1404879197.db2.gz ADLQMDAAHUCSRM-LSDHHAIUSA-N 0 1 379.501 3.003 20 0 GGADMN Cc1nc2ccnn2c(C)c1CCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000047609285 1404879207 /nfs/dbraw/zinc/87/92/07/1404879207.db2.gz NUPFVOVPJDOGAO-LJQANCHMSA-N 0 1 395.507 3.215 20 0 GGADMN COc1ccc(CNC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047611599 1404879833 /nfs/dbraw/zinc/87/98/33/1404879833.db2.gz OHBLQAARUBTMJG-ROUUACIJSA-N 0 1 397.519 3.304 20 0 GGADMN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000047632889 1404882866 /nfs/dbraw/zinc/88/28/66/1404882866.db2.gz VGQQFOBYBNNVFB-GOSISDBHSA-N 0 1 380.916 3.211 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)n[nH]1 ZINC000047700907 1404895236 /nfs/dbraw/zinc/89/52/36/1404895236.db2.gz LNWRPGOJZFFAPH-OAHLLOKOSA-N 0 1 393.443 3.387 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000047712762 1404898991 /nfs/dbraw/zinc/89/89/91/1404898991.db2.gz NNDPNNZEIOEZEQ-OAHLLOKOSA-N 0 1 382.464 3.433 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(OC(F)F)c(F)c2)C[C@@H](C)O1 ZINC000047714262 1404899618 /nfs/dbraw/zinc/89/96/18/1404899618.db2.gz BGNBAELITUWKAN-VXGBXAGGSA-N 0 1 375.391 3.048 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000047715833 1404901149 /nfs/dbraw/zinc/90/11/49/1404901149.db2.gz FKJMSIOMCNTTRS-HOTGVXAUSA-N 0 1 376.501 3.046 20 0 GGADMN O=[N+]([O-])c1cccc(N2CCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000047742822 1404914945 /nfs/dbraw/zinc/91/49/45/1404914945.db2.gz AHDKQXUCPJIGFP-GOSISDBHSA-N 0 1 395.381 3.469 20 0 GGADMN O=[N+]([O-])c1cccc(N2CCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000047742820 1404915405 /nfs/dbraw/zinc/91/54/05/1404915405.db2.gz AHDKQXUCPJIGFP-SFHVURJKSA-N 0 1 395.381 3.469 20 0 GGADMN COc1cccc(CNCc2ccc(NS(C)(=O)=O)cc2)c1OC(C)C ZINC000047750685 1404921023 /nfs/dbraw/zinc/92/10/23/1404921023.db2.gz RRDMDQBRUCYPRQ-UHFFFAOYSA-N 0 1 378.494 3.144 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCCOc2ccccc2C(F)(F)F)[nH+]1 ZINC000737240258 1426169058 /nfs/dbraw/zinc/16/90/58/1426169058.db2.gz JDVMISDVICBRFE-UHFFFAOYSA-N 0 1 378.358 3.388 20 0 GGADMN COCCOc1ccc(NC(=O)NCCN2CCc3ccccc3C2)c(C)c1 ZINC000047761981 1404929973 /nfs/dbraw/zinc/92/99/73/1404929973.db2.gz AZTHQPICBHJMKJ-UHFFFAOYSA-N 0 1 383.492 3.200 20 0 GGADMN COCCOc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000047762907 1404931504 /nfs/dbraw/zinc/93/15/04/1404931504.db2.gz BOQOQQICYZFFPG-UHFFFAOYSA-N 0 1 398.507 3.201 20 0 GGADMN COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1OC(F)F ZINC000047776770 1404938557 /nfs/dbraw/zinc/93/85/57/1404938557.db2.gz CJZBTGWUEIRLHA-HNNXBMFYSA-N 0 1 382.382 3.468 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@H]1COc2ccccc2C1 ZINC000047778121 1404939785 /nfs/dbraw/zinc/93/97/85/1404939785.db2.gz WNTGHUJWGJIYSK-HKUYNNGSSA-N 0 1 383.492 3.357 20 0 GGADMN CN(C)C(=O)c1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000047777856 1404940699 /nfs/dbraw/zinc/94/06/99/1404940699.db2.gz XCPCBIIICDZOGS-IBGZPJMESA-N 0 1 398.507 3.008 20 0 GGADMN O=C(NCC1(N2CCOCC2)CCCCC1)NC1CCC(C(F)(F)F)CC1 ZINC000047793566 1404947137 /nfs/dbraw/zinc/94/71/37/1404947137.db2.gz ARMCWUJLRZMJKX-UHFFFAOYSA-N 0 1 391.478 3.442 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000047798014 1404950188 /nfs/dbraw/zinc/95/01/88/1404950188.db2.gz JMSYOKUCERAZKS-MRXNPFEDSA-N 0 1 379.403 3.030 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000047808032 1404956916 /nfs/dbraw/zinc/95/69/16/1404956916.db2.gz IKNGKGYWFZMTGJ-UHFFFAOYSA-N 0 1 385.493 3.464 20 0 GGADMN COc1ccc(CCNC(=S)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000047808017 1404957096 /nfs/dbraw/zinc/95/70/96/1404957096.db2.gz BNOKPZQSLPZPQX-UHFFFAOYSA-N 0 1 398.576 3.285 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000047813909 1404960446 /nfs/dbraw/zinc/96/04/46/1404960446.db2.gz HPIPBWSDYZQBRI-MRXNPFEDSA-N 0 1 390.871 3.251 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1Cl ZINC000047813907 1404960674 /nfs/dbraw/zinc/96/06/74/1404960674.db2.gz HPIPBWSDYZQBRI-INIZCTEOSA-N 0 1 390.871 3.251 20 0 GGADMN CCC(=O)N1CCCC[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000047816866 1404961272 /nfs/dbraw/zinc/96/12/72/1404961272.db2.gz NUSWNAZNSHCGIU-IBGZPJMESA-N 0 1 391.943 3.212 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000047832125 1404966459 /nfs/dbraw/zinc/96/64/59/1404966459.db2.gz QMQIFLMDKOGQHI-UHFFFAOYSA-N 0 1 390.392 3.209 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)c(OC)c1 ZINC000047832110 1404966524 /nfs/dbraw/zinc/96/65/24/1404966524.db2.gz VJCTXLYLZIIETG-CZUORRHYSA-N 0 1 377.510 3.428 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCc1csc(-c2ccco2)n1 ZINC000047831402 1404966704 /nfs/dbraw/zinc/96/67/04/1404966704.db2.gz PTDGTIQUPXFDBM-UHFFFAOYSA-N 0 1 396.421 3.271 20 0 GGADMN CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1 ZINC000047830912 1404966744 /nfs/dbraw/zinc/96/67/44/1404966744.db2.gz MCUHJMGPWCPYPE-LBPRGKRZSA-N 0 1 393.436 3.188 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1nccn1Cc1ccccc1)c1cccs1 ZINC000047832721 1404967763 /nfs/dbraw/zinc/96/77/63/1404967763.db2.gz LDLCKPRBXLOHIM-SFHVURJKSA-N 0 1 397.548 3.138 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCCOc3ccccc3)cc2)C[C@H](C)O1 ZINC000047842292 1404970022 /nfs/dbraw/zinc/97/00/22/1404970022.db2.gz TUDDSCIHPRFEDX-KDURUIRLSA-N 0 1 397.519 3.174 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCCOc3ccccc3)cc2)C[C@@H](C)O1 ZINC000047842296 1404970290 /nfs/dbraw/zinc/97/02/90/1404970290.db2.gz TUDDSCIHPRFEDX-RTBURBONSA-N 0 1 397.519 3.174 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000821652157 1426148574 /nfs/dbraw/zinc/14/85/74/1426148574.db2.gz NAZBXBLBDNHIDT-BEVDRBHNSA-N 0 1 391.475 3.206 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000821652157 1426148575 /nfs/dbraw/zinc/14/85/75/1426148575.db2.gz NAZBXBLBDNHIDT-BEVDRBHNSA-N 0 1 391.475 3.206 20 0 GGADMN COCCOc1cc(C)ccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000047855814 1404973789 /nfs/dbraw/zinc/97/37/89/1404973789.db2.gz MQHRWMHMEGOGJN-UHFFFAOYSA-N 0 1 398.507 3.201 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C[C@@H](C)O1 ZINC000047861669 1404975733 /nfs/dbraw/zinc/97/57/33/1404975733.db2.gz AGQOBDVQIPUSAJ-HUUCEWRRSA-N 0 1 396.482 3.186 20 0 GGADMN CCOc1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC ZINC000047871532 1404978234 /nfs/dbraw/zinc/97/82/34/1404978234.db2.gz VVFBJMXFYUFIAU-QGZVFWFLSA-N 0 1 387.480 3.323 20 0 GGADMN COC(=O)C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C)cc1 ZINC000047871782 1404978922 /nfs/dbraw/zinc/97/89/22/1404978922.db2.gz WIFQUICDNYSUDE-OALUTQOASA-N 0 1 399.491 3.329 20 0 GGADMN Cn1ccnc1[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000047871806 1404979233 /nfs/dbraw/zinc/97/92/33/1404979233.db2.gz FQHPYSDSCUEEFA-UYAOXDASSA-N 0 1 393.491 3.239 20 0 GGADMN CCc1ccc(-c2n[nH]c(SCc3csc(CC(=O)N(C)C)n3)n2)cc1 ZINC000047881158 1404981719 /nfs/dbraw/zinc/98/17/19/1404981719.db2.gz NLWZKJCFEOGAHS-UHFFFAOYSA-N 0 1 387.534 3.414 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cccc(N2CCNC2=O)c1 ZINC000047891851 1404985469 /nfs/dbraw/zinc/98/54/69/1404985469.db2.gz KTAYLLZDWLOMKO-GOSISDBHSA-N 0 1 397.479 3.158 20 0 GGADMN C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1Cl ZINC000047891036 1404985553 /nfs/dbraw/zinc/98/55/53/1404985553.db2.gz CNJRPDHPBHDXDF-HNNXBMFYSA-N 0 1 387.915 3.047 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cccc(N2CCNC2=O)c1 ZINC000047891850 1404985803 /nfs/dbraw/zinc/98/58/03/1404985803.db2.gz KTAYLLZDWLOMKO-SFHVURJKSA-N 0 1 397.479 3.158 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)C(=O)NCCC(C)C)CC2)cc1F ZINC000047893364 1404986973 /nfs/dbraw/zinc/98/69/73/1404986973.db2.gz PGIXZACNXAMHCM-KRWDZBQOSA-N 0 1 391.531 3.013 20 0 GGADMN COCc1cccc(CNC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000047914866 1404994388 /nfs/dbraw/zinc/99/43/88/1404994388.db2.gz KTZCJJDZWCMCMA-NRFANRHFSA-N 0 1 397.519 3.478 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCCc1nc(C)cs1)N1CCCC1 ZINC000047914920 1404994411 /nfs/dbraw/zinc/99/44/11/1404994411.db2.gz LWRPBFIDMCSTEE-KRWDZBQOSA-N 0 1 388.537 3.139 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000047916592 1404995125 /nfs/dbraw/zinc/99/51/25/1404995125.db2.gz FJYCCTAENOIJQB-UHFFFAOYSA-N 0 1 382.508 3.496 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000047920300 1404996886 /nfs/dbraw/zinc/99/68/86/1404996886.db2.gz CYNNKKMIRZASOE-INIZCTEOSA-N 0 1 387.553 3.154 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC1CCN(C(C)=O)CC1)c1ccccc1Cl ZINC000047926129 1404998862 /nfs/dbraw/zinc/99/88/62/1404998862.db2.gz FSLBLTFHRNJKLM-IBGZPJMESA-N 0 1 394.947 3.033 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)N2CCCC2)c1 ZINC000047932148 1405001001 /nfs/dbraw/zinc/00/10/01/1405001001.db2.gz FTYPPYXWWZZBAJ-FCHUYYIVSA-N 0 1 393.487 3.142 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1cccc(F)c1 ZINC000047936225 1405002485 /nfs/dbraw/zinc/00/24/85/1405002485.db2.gz NJULQDHXUZZAOX-UTKZUKDTSA-N 0 1 384.499 3.254 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000047936058 1405002852 /nfs/dbraw/zinc/00/28/52/1405002852.db2.gz IIVMUIULKXCRSA-NRFANRHFSA-N 0 1 395.482 3.156 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCCn2cnc3ccccc32)N(C)C)c1 ZINC000047936597 1405003163 /nfs/dbraw/zinc/00/31/63/1405003163.db2.gz MJROMSVQTZMBCG-NRFANRHFSA-N 0 1 395.507 3.037 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000047936308 1405003174 /nfs/dbraw/zinc/00/31/74/1405003174.db2.gz HDZSIQLKDSVHAV-VLIAUNLRSA-N 0 1 386.471 3.447 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1cccc(F)c1 ZINC000047936227 1405003247 /nfs/dbraw/zinc/00/32/47/1405003247.db2.gz SJLVZUSSJZMIKU-NRFANRHFSA-N 0 1 395.482 3.173 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)N(C)C)c1 ZINC000047936982 1405003965 /nfs/dbraw/zinc/00/39/65/1405003965.db2.gz WFNTYLPZIKLIKT-YCRPNKLZSA-N 0 1 398.507 3.317 20 0 GGADMN COc1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cn1 ZINC000047949233 1405007734 /nfs/dbraw/zinc/00/77/34/1405007734.db2.gz JGAUDMVUFLSABO-UHFFFAOYSA-N 0 1 379.254 3.304 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047981461 1405015668 /nfs/dbraw/zinc/01/56/68/1405015668.db2.gz VLIMZQDHYQJKDR-ZFWWWQNUSA-N 0 1 397.441 3.271 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047981374 1405015764 /nfs/dbraw/zinc/01/57/64/1405015764.db2.gz BQTQPSBBTYNAMV-JXFKEZNVSA-N 0 1 385.552 3.377 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000047985308 1405018091 /nfs/dbraw/zinc/01/80/91/1405018091.db2.gz KZETVEIKEAGQLQ-KRWDZBQOSA-N 0 1 386.521 3.373 20 0 GGADMN COc1ncccc1CNC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000047987452 1405018875 /nfs/dbraw/zinc/01/88/75/1405018875.db2.gz UDKBDJRZEHXGAH-GOSISDBHSA-N 0 1 388.899 3.380 20 0 GGADMN COC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000048007975 1405023400 /nfs/dbraw/zinc/02/34/00/1405023400.db2.gz BTGVCOFMGYJMJA-UHFFFAOYSA-N 0 1 397.475 3.222 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000048012158 1405024772 /nfs/dbraw/zinc/02/47/72/1405024772.db2.gz GJMIQROFRJMTMP-UHFFFAOYSA-N 0 1 377.404 3.081 20 0 GGADMN CCC[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000048023335 1405027927 /nfs/dbraw/zinc/02/79/27/1405027927.db2.gz LBWGQRFSDHJTGR-FQEVSTJZSA-N 0 1 381.524 3.174 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046337 1405031494 /nfs/dbraw/zinc/03/14/94/1405031494.db2.gz ATCPLLRTMMJURS-CMKODMSKSA-N 0 1 377.573 3.137 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046425 1405031543 /nfs/dbraw/zinc/03/15/43/1405031543.db2.gz ZEQCZRBIOVBLRU-PMACEKPBSA-N 0 1 399.579 3.394 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046968 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376.844 3.081 20 0 GGADMN Cc1ccc(-c2cnc(CCC(=O)N3CCC(CN4CCOCC4)CC3)o2)cc1 ZINC000048481213 1405201233 /nfs/dbraw/zinc/20/12/33/1405201233.db2.gz YHIKUTZXSVTVRB-UHFFFAOYSA-N 0 1 397.519 3.153 20 0 GGADMN COc1cc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)ccn1 ZINC000048499992 1405209008 /nfs/dbraw/zinc/20/90/08/1405209008.db2.gz AEXUTVJFWRNVFI-GOSISDBHSA-N 0 1 388.899 3.380 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000048502942 1405209803 /nfs/dbraw/zinc/20/98/03/1405209803.db2.gz JJDPLTWZHDMJSJ-QGZVFWFLSA-N 0 1 392.862 3.263 20 0 GGADMN O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826402685 1426623224 /nfs/dbraw/zinc/62/32/24/1426623224.db2.gz ZTFXBRXDJLSYNX-ZHACJKMWSA-N 0 1 388.475 3.157 20 0 GGADMN Clc1ccc(-n2cc(CNCc3ccnc(N4CCOCC4)c3)cn2)cc1 ZINC000048711244 1405264794 /nfs/dbraw/zinc/26/47/94/1405264794.db2.gz NVECGZLQDDVLCG-UHFFFAOYSA-N 0 1 383.883 3.047 20 0 GGADMN CS(=O)(=O)Nc1ccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000048714657 1405266124 /nfs/dbraw/zinc/26/61/24/1405266124.db2.gz QGXRCWWKKXWYAI-UHFFFAOYSA-N 0 1 390.896 3.187 20 0 GGADMN Cc1ccc(CNC(=O)c2cccc(CNCc3ccc(C(N)=O)cc3)c2)cc1 ZINC000048714110 1405266346 /nfs/dbraw/zinc/26/63/46/1405266346.db2.gz JXCMDZKVFCAWGL-UHFFFAOYSA-N 0 1 387.483 3.314 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCCC2)cc1 ZINC000048722729 1405270459 /nfs/dbraw/zinc/27/04/59/1405270459.db2.gz PMTORIVBJAMFGM-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2F)N2CCCC2)cc1 ZINC000048722739 1405270835 /nfs/dbraw/zinc/27/08/35/1405270835.db2.gz UQEUKBRPPMTQKP-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000048742914 1405277330 /nfs/dbraw/zinc/27/73/30/1405277330.db2.gz LQHFNOGFGPRGAS-CQSZACIVSA-N 0 1 395.912 3.076 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)cc2)o1 ZINC000048742541 1405277778 /nfs/dbraw/zinc/27/77/78/1405277778.db2.gz SGRFYZJEWIBLNJ-INIZCTEOSA-N 0 1 398.488 3.069 20 0 GGADMN COc1cccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1OC ZINC000048744654 1405278031 /nfs/dbraw/zinc/27/80/31/1405278031.db2.gz OHFOQUSDNYULKX-HNNXBMFYSA-N 0 1 384.476 3.212 20 0 GGADMN Fc1ccc(N2CCN(c3cc(CNCc4ccncc4)ccn3)CC2)cc1 ZINC000048744997 1405278238 /nfs/dbraw/zinc/27/82/38/1405278238.db2.gz LJFFNWKEKKFQAL-UHFFFAOYSA-N 0 1 377.467 3.232 20 0 GGADMN COc1ccc(OC)c(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000048744657 1405278317 /nfs/dbraw/zinc/27/83/17/1405278317.db2.gz NVIZPFURVUTKTP-OAHLLOKOSA-N 0 1 384.476 3.212 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1SC(F)F)c1cccs1 ZINC000048743961 1405278690 /nfs/dbraw/zinc/27/86/90/1405278690.db2.gz HLEXDBFHJGXMBK-GFCCVEGCSA-N 0 1 399.488 3.420 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1OC ZINC000048745062 1405278839 /nfs/dbraw/zinc/27/88/39/1405278839.db2.gz RUGNHNHUVZJJNO-CQSZACIVSA-N 0 1 390.455 3.209 20 0 GGADMN O=C(CNCc1cccc(NC(=O)c2ccccc2Cl)c1)NCC(F)(F)F ZINC000048745888 1405279363 /nfs/dbraw/zinc/27/93/63/1405279363.db2.gz KQUQVSANJYTXFJ-UHFFFAOYSA-N 0 1 399.800 3.360 20 0 GGADMN COc1cc(CNCC(=O)NCC(F)(F)F)ccc1OCc1cccs1 ZINC000048745869 1405280208 /nfs/dbraw/zinc/28/02/08/1405280208.db2.gz GVGKNSIRKPTVKK-UHFFFAOYSA-N 0 1 388.411 3.104 20 0 GGADMN Cc1cc(CNCC(=O)NCC(F)(F)F)cc(C)c1OCc1ccccn1 ZINC000048746003 1405280393 /nfs/dbraw/zinc/28/03/93/1405280393.db2.gz HDJJBNYPNJGZBI-UHFFFAOYSA-N 0 1 381.398 3.046 20 0 GGADMN CC[C@H](NCc1ccc(C(N)=O)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750522 1405281045 /nfs/dbraw/zinc/28/10/45/1405281045.db2.gz KCQRAOHOMSAXPI-FQEVSTJZSA-N 0 1 395.503 3.028 20 0 GGADMN COc1cccc(CNCc2cc3c(c(Br)c2)OCO3)c1OC ZINC000048751888 1405282599 /nfs/dbraw/zinc/28/25/99/1405282599.db2.gz KIRUHKUPFYZHSS-UHFFFAOYSA-N 0 1 380.238 3.485 20 0 GGADMN CCOc1c(Cl)cc(CNCc2cccc(OCC(=O)NC)c2)cc1OC ZINC000048778744 1405288776 /nfs/dbraw/zinc/28/87/76/1405288776.db2.gz JPCHHQQFXATCRU-UHFFFAOYSA-N 0 1 392.883 3.162 20 0 GGADMN CNC(=O)COc1cccc(CNCc2cn(-c3ccccc3)nc2C(C)C)c1 ZINC000048779038 1405288941 /nfs/dbraw/zinc/28/89/41/1405288941.db2.gz RQPPUOHDCQHISW-UHFFFAOYSA-N 0 1 392.503 3.410 20 0 GGADMN CS(=O)(=O)Cc1ccc(CNCc2ccccc2OCc2cccnc2)cc1 ZINC000048779864 1405290453 /nfs/dbraw/zinc/29/04/53/1405290453.db2.gz WMPNMDLZBMYPBO-UHFFFAOYSA-N 0 1 396.512 3.495 20 0 GGADMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780524 1405290607 /nfs/dbraw/zinc/29/06/07/1405290607.db2.gz MKXWJTGCISCOIM-KRWDZBQOSA-N 0 1 398.532 3.033 20 0 GGADMN CS(=O)(=O)Cc1ccc(CNCc2cc(Br)ccc2F)cc1 ZINC000048779664 1405290709 /nfs/dbraw/zinc/29/07/09/1405290709.db2.gz LIOSVOKOPNJPGM-UHFFFAOYSA-N 0 1 386.286 3.423 20 0 GGADMN COc1cc(CNCc2c(C)nn(-c3ccc(F)cc3)c2C)ccc1OCCO ZINC000048784347 1405291998 /nfs/dbraw/zinc/29/19/98/1405291998.db2.gz NRGODOGLBHQODG-UHFFFAOYSA-N 0 1 399.466 3.298 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1c(C)cccc1C)N1CCCC1 ZINC000048827808 1405300113 /nfs/dbraw/zinc/30/01/13/1405300113.db2.gz BMWOWIHBUKNYMP-IBGZPJMESA-N 0 1 395.503 3.204 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(C)cc1C)N1CCCC1 ZINC000048827581 1405300724 /nfs/dbraw/zinc/30/07/24/1405300724.db2.gz SSPVUZPHISDYLO-HXUWFJFHSA-N 0 1 395.503 3.204 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc2ccccc21)c1cccc(F)c1 ZINC000048842986 1405303487 /nfs/dbraw/zinc/30/34/87/1405303487.db2.gz ZUYOVCSQGHQSQH-FQEVSTJZSA-N 0 1 379.435 3.337 20 0 GGADMN CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000048845477 1405304537 /nfs/dbraw/zinc/30/45/37/1405304537.db2.gz YDGCEXXHYQDCAC-HXUWFJFHSA-N 0 1 383.492 3.005 20 0 GGADMN CCCCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000048844963 1405304926 /nfs/dbraw/zinc/30/49/26/1405304926.db2.gz JDZBCLALWOIFHD-NRFANRHFSA-N 0 1 397.519 3.395 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N(C)C)cc1 ZINC000048846268 1405305416 /nfs/dbraw/zinc/30/54/16/1405305416.db2.gz HMTLTSIOSIDIIZ-SFHVURJKSA-N 0 1 391.874 3.399 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000048846580 1405305476 /nfs/dbraw/zinc/30/54/76/1405305476.db2.gz SCHOGZLOPRKNCY-FQEVSTJZSA-N 0 1 397.519 3.395 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)N(C)C)cc1 ZINC000048846442 1405305622 /nfs/dbraw/zinc/30/56/22/1405305622.db2.gz XKVWBJUAOGNRKD-GOSISDBHSA-N 0 1 391.874 3.399 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)N(C)C)cc1 ZINC000048846431 1405305657 /nfs/dbraw/zinc/30/56/57/1405305657.db2.gz YCJZNFUOWYUFSH-NRFANRHFSA-N 0 1 397.519 3.394 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C(C)C)c2)N(C)C)c1 ZINC000048845910 1405306073 /nfs/dbraw/zinc/30/60/73/1405306073.db2.gz JNLLMTLJVAETOA-HXUWFJFHSA-N 0 1 383.492 3.176 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cccc2cnccc21 ZINC000048851523 1405307582 /nfs/dbraw/zinc/30/75/82/1405307582.db2.gz XAGBRJMCPDPBEH-OAQYLSRUSA-N 0 1 388.471 3.127 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000048852339 1405308194 /nfs/dbraw/zinc/30/81/94/1405308194.db2.gz IWAYUYLJDBHOMJ-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1cccc(Cl)c1F ZINC000048852819 1405308477 /nfs/dbraw/zinc/30/84/77/1405308477.db2.gz XIVJEIYWUNAWMB-KRWDZBQOSA-N 0 1 389.858 3.371 20 0 GGADMN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000048854070 1405308611 /nfs/dbraw/zinc/30/86/11/1405308611.db2.gz FBGOTPXPKQHTKN-MRXNPFEDSA-N 0 1 375.469 3.087 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000048853711 1405308658 /nfs/dbraw/zinc/30/86/58/1405308658.db2.gz ZMBZGJREXCYPNP-HNNXBMFYSA-N 0 1 395.887 3.432 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000048853321 1405308684 /nfs/dbraw/zinc/30/86/84/1405308684.db2.gz QVEPUFBTNMIMNN-IBGZPJMESA-N 0 1 383.517 3.300 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000048854052 1405308835 /nfs/dbraw/zinc/30/88/35/1405308835.db2.gz IKXIDELMAWACFE-SFHVURJKSA-N 0 1 383.517 3.129 20 0 GGADMN Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000048853896 1405309250 /nfs/dbraw/zinc/30/92/50/1405309250.db2.gz CUIYPCWRJAVFQN-MRXNPFEDSA-N 0 1 375.469 3.087 20 0 GGADMN N#CC(C(=O)CN1C(=O)COc2ccc(Cl)cc21)c1ccc2ccccc2n1 ZINC000048855935 1405309843 /nfs/dbraw/zinc/30/98/43/1405309843.db2.gz PQRWDSXZSPCURJ-HNNXBMFYSA-N 0 1 391.814 3.490 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000048854338 1405309965 /nfs/dbraw/zinc/30/99/65/1405309965.db2.gz ATNKRUOSQMWKJF-MRXNPFEDSA-N 0 1 389.546 3.362 20 0 GGADMN N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc2ccccc2n1 ZINC000048858678 1405311125 /nfs/dbraw/zinc/31/11/25/1405311125.db2.gz VZPKARXHQXHCPN-HNNXBMFYSA-N 0 1 395.440 3.102 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048875151 1405313172 /nfs/dbraw/zinc/31/31/72/1405313172.db2.gz KLNSTXLAPFSKMV-OAHLLOKOSA-N 0 1 392.286 3.323 20 0 GGADMN O=C(Nc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048875568 1405313447 /nfs/dbraw/zinc/31/34/47/1405313447.db2.gz UMVNFQLWBFMKRQ-HNNXBMFYSA-N 0 1 392.286 3.323 20 0 GGADMN CCOc1ccc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC ZINC000048882545 1405314866 /nfs/dbraw/zinc/31/48/66/1405314866.db2.gz GBIVEDWXJIAHSX-MRXNPFEDSA-N 0 1 377.510 3.258 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2C)N2CCCC2)c1 ZINC000048904972 1405318979 /nfs/dbraw/zinc/31/89/79/1405318979.db2.gz NSTVMCVBCFDOFH-HXUWFJFHSA-N 0 1 395.503 3.204 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CCCC2)c1 ZINC000048904494 1405319161 /nfs/dbraw/zinc/31/91/61/1405319161.db2.gz HJLTUEPTWPDVQU-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000048905179 1405319507 /nfs/dbraw/zinc/31/95/07/1405319507.db2.gz VDIIRWGTPHOIHG-NRFANRHFSA-N 0 1 395.503 3.149 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CCCC2)c1 ZINC000048904623 1405319543 /nfs/dbraw/zinc/31/95/43/1405319543.db2.gz ARBAHVUSJGWLJN-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)N(C)C)c(OC)c1 ZINC000048992752 1405331071 /nfs/dbraw/zinc/33/10/71/1405331071.db2.gz MCHXHBXODVVUJY-DYVFJYSZSA-N 0 1 377.510 3.428 20 0 GGADMN C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000049074857 1405338596 /nfs/dbraw/zinc/33/85/96/1405338596.db2.gz JHRGFECGWQJCOZ-QAPCUYQASA-N 0 1 375.904 3.061 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1ncc(-c2ccccc2)o1 ZINC000049132993 1405345864 /nfs/dbraw/zinc/34/58/64/1405345864.db2.gz JKKMTMVVAOPDFR-UHFFFAOYSA-N 0 1 376.460 3.199 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1Cl ZINC000049166003 1405347939 /nfs/dbraw/zinc/34/79/39/1405347939.db2.gz ZOZUBCPXFGPPKE-CRAIPNDOSA-N 0 1 387.911 3.119 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000049195423 1405350422 /nfs/dbraw/zinc/35/04/22/1405350422.db2.gz PTLMRCRLLHBXEH-INIZCTEOSA-N 0 1 376.482 3.029 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccsc1 ZINC000049195398 1405350557 /nfs/dbraw/zinc/35/05/57/1405350557.db2.gz SFGGHNZUQWEQBZ-LJQANCHMSA-N 0 1 383.521 3.095 20 0 GGADMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1c1ccccc1 ZINC001139094748 1426934338 /nfs/dbraw/zinc/93/43/38/1426934338.db2.gz HGNBBKHLIXVDEY-PMACEKPBSA-N 0 1 391.475 3.036 20 0 GGADMN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1c1ccccc1 ZINC001139094748 1426934339 /nfs/dbraw/zinc/93/43/39/1426934339.db2.gz HGNBBKHLIXVDEY-PMACEKPBSA-N 0 1 391.475 3.036 20 0 GGADMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1c1ccccc1 ZINC001139094748 1426934342 /nfs/dbraw/zinc/93/43/42/1426934342.db2.gz HGNBBKHLIXVDEY-PMACEKPBSA-N 0 1 391.475 3.036 20 0 GGADMN COc1ccc(C2(C(=O)NC[C@H](c3cccs3)N(C)C)CCOCC2)cc1 ZINC000049488341 1405380574 /nfs/dbraw/zinc/38/05/74/1405380574.db2.gz APBIZBOTZGOYQW-GOSISDBHSA-N 0 1 388.533 3.224 20 0 GGADMN c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826520045 1426962275 /nfs/dbraw/zinc/96/22/75/1426962275.db2.gz YUXKLAPTJRVKKG-NRFANRHFSA-N 0 1 385.475 3.262 20 0 GGADMN COc1ccc2c(ccn2CC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1 ZINC000049619250 1405387098 /nfs/dbraw/zinc/38/70/98/1405387098.db2.gz BTESAZFLDSZSIJ-UHFFFAOYSA-N 0 1 392.503 3.349 20 0 GGADMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)oc2c1C(=O)CCC2 ZINC000049619256 1405387406 /nfs/dbraw/zinc/38/74/06/1405387406.db2.gz CKNINYZANMRRTO-UHFFFAOYSA-N 0 1 381.476 3.420 20 0 GGADMN Cc1c(C(=O)N=c2[nH]c(CN3CCC[C@H](C)C3)cs2)oc2c1C(=O)CCC2 ZINC000049623887 1405388170 /nfs/dbraw/zinc/38/81/70/1405388170.db2.gz ROWLDLNNGJDVAK-LBPRGKRZSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4cc[nH]n4)cc3)CC2)c1 ZINC000049734452 1405402254 /nfs/dbraw/zinc/40/22/54/1405402254.db2.gz JYQGQNFQFONRQX-UHFFFAOYSA-N 0 1 375.476 3.293 20 0 GGADMN Cn1c(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)nc2ccc(Cl)cc21 ZINC000826355138 1427029408 /nfs/dbraw/zinc/02/94/08/1427029408.db2.gz LMKDOAZQEPLZGU-UHFFFAOYSA-N 0 1 379.855 3.186 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1COc2ccccc2C1)N1CCCC1 ZINC000049790123 1405417101 /nfs/dbraw/zinc/41/71/01/1405417101.db2.gz UPHPMAKZGQSNAG-ICSRJNTNSA-N 0 1 395.503 3.135 20 0 GGADMN COCCN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000049798543 1405419731 /nfs/dbraw/zinc/41/97/31/1405419731.db2.gz XMSPQIFGNHKJTR-OAQYLSRUSA-N 0 1 385.508 3.156 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)CCCOc2ccccc2)N(C)C)c1 ZINC000049798754 1405419914 /nfs/dbraw/zinc/41/99/14/1405419914.db2.gz CZIDHLZRCNSQFL-NRFANRHFSA-N 0 1 385.508 3.408 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 ZINC000049797744 1405420620 /nfs/dbraw/zinc/42/06/20/1405420620.db2.gz WYNFCDNLCCBMFY-OAQYLSRUSA-N 0 1 395.482 3.173 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCCOc2ccccc2)N(C)C)c1 ZINC000049798755 1405420783 /nfs/dbraw/zinc/42/07/83/1405420783.db2.gz CZIDHLZRCNSQFL-OAQYLSRUSA-N 0 1 385.508 3.408 20 0 GGADMN Cc1ccnc2nc(C(=O)Nc3nnc(C45CC6CC(CC(C6)C4)C5)s3)nn21 ZINC000049951051 1405435847 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399.472 3.184 20 0 GGADMN CCOCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000057981478 1407764098 /nfs/dbraw/zinc/76/40/98/1407764098.db2.gz RTPPCRLRTLXYKN-UHFFFAOYSA-N 0 1 383.853 3.334 20 0 GGADMN CCOC[C@@H]1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)C1 ZINC000176348375 1428262799 /nfs/dbraw/zinc/26/27/99/1428262799.db2.gz JKNMCLXMYWSXQP-VGOFRKELSA-N 0 1 390.524 3.020 20 0 GGADMN CC(C)(C)OC(=O)NCCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000057992232 1407766872 /nfs/dbraw/zinc/76/68/72/1407766872.db2.gz QJOUNMJVCUGZPZ-MRXNPFEDSA-N 0 1 379.501 3.228 20 0 GGADMN CCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)Cc1ccccc1 ZINC000058045218 1407774099 /nfs/dbraw/zinc/77/40/99/1407774099.db2.gz RWPNXWAXICDHAG-NRFANRHFSA-N 0 1 380.488 3.025 20 0 GGADMN CCOc1ccc(-c2nc(CN(C)C[C@@H](C)C(=O)NC)cs2)cc1OC ZINC000176352743 1428263841 /nfs/dbraw/zinc/26/38/41/1428263841.db2.gz OWOLQYOPANBAIU-CYBMUJFWSA-N 0 1 377.510 3.031 20 0 GGADMN CCc1[nH]ncc1C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000058255092 1407802985 /nfs/dbraw/zinc/80/29/85/1407802985.db2.gz WCVFCJKYZIXBNO-UHFFFAOYSA-N 0 1 384.461 3.334 20 0 GGADMN Cc1ccccc1OCCN(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000058269904 1407804123 /nfs/dbraw/zinc/80/41/23/1407804123.db2.gz XRXFNTBBYNKAFT-UHFFFAOYSA-N 0 1 397.500 3.295 20 0 GGADMN CC(C)[C@@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000058318262 1407811209 /nfs/dbraw/zinc/81/12/09/1407811209.db2.gz LCEHUQBTIIEJBZ-HXUWFJFHSA-N 0 1 397.500 3.320 20 0 GGADMN CC(C)C(=O)Nc1ccc(C(=O)COC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000058319988 1407811271 /nfs/dbraw/zinc/81/12/71/1407811271.db2.gz USWOSHKWAGGFPF-UHFFFAOYSA-N 0 1 379.416 3.126 20 0 GGADMN CNC(=O)[C@H](C)CN(C)CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000176357125 1428266577 /nfs/dbraw/zinc/26/65/77/1428266577.db2.gz RWCKGCBNVVXYRC-CQSZACIVSA-N 0 1 389.883 3.385 20 0 GGADMN CN(CC(=O)Nc1ccc(SC(F)(F)F)cc1)c1ncnc2[nH]cnc21 ZINC000058355978 1407817450 /nfs/dbraw/zinc/81/74/50/1407817450.db2.gz OVNLHJPCQOUMNS-UHFFFAOYSA-N 0 1 382.371 3.040 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1 ZINC000058369077 1407818955 /nfs/dbraw/zinc/81/89/55/1407818955.db2.gz OPQHSBUTAWPCJC-UHFFFAOYSA-N 0 1 394.475 3.078 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)n1cccn1 ZINC000058380429 1407819614 /nfs/dbraw/zinc/81/96/14/1407819614.db2.gz LKKODHWRHHEGEB-NSHDSACASA-N 0 1 394.453 3.084 20 0 GGADMN O=C(CCOc1ccc(F)cc1Cl)NC1CCN(Cc2ccccn2)CC1 ZINC000058413920 1407824434 /nfs/dbraw/zinc/82/44/34/1407824434.db2.gz SDYSPCVRADIEBC-UHFFFAOYSA-N 0 1 391.874 3.424 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1cccc(OC)c1 ZINC000058444167 1407828492 /nfs/dbraw/zinc/82/84/92/1407828492.db2.gz ZPSCHQVGRPTLHG-SFHVURJKSA-N 0 1 398.475 3.335 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1C)N1CCCC1 ZINC000058450731 1407830655 /nfs/dbraw/zinc/83/06/55/1407830655.db2.gz DJUFAFVJYXXCGG-LJQANCHMSA-N 0 1 396.491 3.061 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000058515056 1407839765 /nfs/dbraw/zinc/83/97/65/1407839765.db2.gz CSSIMDYLDFARPC-GFCCVEGCSA-N 0 1 383.839 3.102 20 0 GGADMN COc1cccc(C(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)c1OC ZINC000058523110 1407840128 /nfs/dbraw/zinc/84/01/28/1407840128.db2.gz NHIDYZMHHHXKJH-GOSISDBHSA-N 0 1 382.504 3.483 20 0 GGADMN O=C(CN1CCC(c2cccc3ccccc32)CC1)NC(=O)NCC(F)(F)F ZINC000058525187 1407840141 /nfs/dbraw/zinc/84/01/41/1407840141.db2.gz ATOCTTOEJKMFRB-UHFFFAOYSA-N 0 1 393.409 3.407 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000058531886 1407841348 /nfs/dbraw/zinc/84/13/48/1407841348.db2.gz VMYDPEIESKCSRK-NRFANRHFSA-N 0 1 399.441 3.239 20 0 GGADMN Cc1cc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)ccc1N1CCN(C)CC1 ZINC000058536099 1407841950 /nfs/dbraw/zinc/84/19/50/1407841950.db2.gz LMUUIDZAJRHGFS-LAUBAEHRSA-N 0 1 388.556 3.464 20 0 GGADMN C[C@H](C(=O)NCc1cccs1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000058549648 1407843708 /nfs/dbraw/zinc/84/37/08/1407843708.db2.gz VUNHTOVYMLEGQD-MRXNPFEDSA-N 0 1 375.513 3.100 20 0 GGADMN COCc1ccccc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000058559217 1407844601 /nfs/dbraw/zinc/84/46/01/1407844601.db2.gz CDMZAJFKKDKDKS-UHFFFAOYSA-N 0 1 382.508 3.167 20 0 GGADMN O=C(CC1CCCC1)N1CCCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000058579318 1407847447 /nfs/dbraw/zinc/84/74/47/1407847447.db2.gz QOMDGRPKGUMHSG-IBGZPJMESA-N 0 1 394.943 3.194 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(-c2ccccc2F)c1 ZINC000058629366 1407854439 /nfs/dbraw/zinc/85/44/39/1407854439.db2.gz FJIFQWDJRYJQGT-UHFFFAOYSA-N 0 1 393.466 3.324 20 0 GGADMN CC(=O)c1cccc(OCCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000058635418 1407855741 /nfs/dbraw/zinc/85/57/41/1407855741.db2.gz BTVFICPCMJSWDA-UHFFFAOYSA-N 0 1 395.503 3.439 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4F)c3)cc2)CC1 ZINC000058635387 1407855792 /nfs/dbraw/zinc/85/57/92/1407855792.db2.gz WWJWYGRSECEJIG-UHFFFAOYSA-N 0 1 379.439 3.016 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000058635520 1407855814 /nfs/dbraw/zinc/85/58/14/1407855814.db2.gz OEKDPNFJPUKMRY-UHFFFAOYSA-N 0 1 379.439 3.016 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccco1 ZINC000058655803 1407859144 /nfs/dbraw/zinc/85/91/44/1407859144.db2.gz JSRXSJLZHWOHIH-QGZVFWFLSA-N 0 1 393.509 3.029 20 0 GGADMN COCCn1ncc2ccc(NC(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc21 ZINC000058675684 1407862033 /nfs/dbraw/zinc/86/20/33/1407862033.db2.gz YRYZJBLSMSWNFM-FQEVSTJZSA-N 0 1 399.470 3.246 20 0 GGADMN COCCn1ncc2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cc21 ZINC000058675685 1407862125 /nfs/dbraw/zinc/86/21/25/1407862125.db2.gz ZPBJUXUOTULIJT-GOSISDBHSA-N 0 1 387.509 3.169 20 0 GGADMN C[C@@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)N1CCc2ccccc2C1 ZINC000058676926 1407862859 /nfs/dbraw/zinc/86/28/59/1407862859.db2.gz OZDTYFYBCITJPS-HNNXBMFYSA-N 0 1 395.894 3.097 20 0 GGADMN COc1ccccc1C(C)(C)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000058683235 1407863854 /nfs/dbraw/zinc/86/38/54/1407863854.db2.gz NVKQEOPPFNGKOY-UHFFFAOYSA-N 0 1 381.520 3.359 20 0 GGADMN COc1ccccc1C(C)(C)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000058699339 1407867495 /nfs/dbraw/zinc/86/74/95/1407867495.db2.gz SWFWCMJZABBGJG-UHFFFAOYSA-N 0 1 381.520 3.359 20 0 GGADMN C[C@H]1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@@H](C)CO1 ZINC000058703305 1407867766 /nfs/dbraw/zinc/86/77/66/1407867766.db2.gz GSZQDKSILDIYNO-GJZGRUSLSA-N 0 1 389.521 3.255 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1 ZINC000058702233 1407867826 /nfs/dbraw/zinc/86/78/26/1407867826.db2.gz QOGATSJKRLHQIG-UHFFFAOYSA-N 0 1 388.470 3.378 20 0 GGADMN C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc21 ZINC000058737459 1407871897 /nfs/dbraw/zinc/87/18/97/1407871897.db2.gz YZDRARZRKFGCGY-UHFFFAOYSA-N 0 1 391.427 3.267 20 0 GGADMN C[C@H]1CN(CCOc2cccc(F)c2)CCN1CCOc1cccc(F)c1 ZINC000058790139 1407881086 /nfs/dbraw/zinc/88/10/86/1407881086.db2.gz GNAHIYTURTWUSM-KRWDZBQOSA-N 0 1 376.447 3.429 20 0 GGADMN C[C@@H]1CN(CCOc2cccc(F)c2)CCN1CCOc1cccc(F)c1 ZINC000058790136 1407881187 /nfs/dbraw/zinc/88/11/87/1407881187.db2.gz GNAHIYTURTWUSM-QGZVFWFLSA-N 0 1 376.447 3.429 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)c2ccc(F)cc2)cc1OC ZINC000058792266 1407881939 /nfs/dbraw/zinc/88/19/39/1407881939.db2.gz OESCGGGVTKOQBO-HNNXBMFYSA-N 0 1 384.245 3.429 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000058819949 1407885991 /nfs/dbraw/zinc/88/59/91/1407885991.db2.gz YQPVXDNQYBMWLV-SFHVURJKSA-N 0 1 386.467 3.294 20 0 GGADMN CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000058861373 1407890745 /nfs/dbraw/zinc/89/07/45/1407890745.db2.gz HLXLWTUZICHSDO-UHFFFAOYSA-N 0 1 395.569 3.031 20 0 GGADMN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000058883978 1407894140 /nfs/dbraw/zinc/89/41/40/1407894140.db2.gz CKWNRAGFESEAAK-IJEWVQPXSA-N 0 1 398.956 3.221 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)N(C)C)c1 ZINC000058883183 1407894226 /nfs/dbraw/zinc/89/42/26/1407894226.db2.gz JOMTUPMEQOZNSJ-HXUWFJFHSA-N 0 1 396.491 3.012 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000058918705 1407899247 /nfs/dbraw/zinc/89/92/47/1407899247.db2.gz NHKDKQSJMDPMEB-HCXYKTFWSA-N 0 1 387.572 3.077 20 0 GGADMN CCCC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000058968738 1407906436 /nfs/dbraw/zinc/90/64/36/1407906436.db2.gz WNAILQAVTONWRU-HXUWFJFHSA-N 0 1 389.515 3.088 20 0 GGADMN O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCN(CC2CC2)CC1 ZINC000058982644 1407908012 /nfs/dbraw/zinc/90/80/12/1407908012.db2.gz NIXXRNOJUKWBJL-UHFFFAOYSA-N 0 1 390.487 3.081 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)CCc1ccccc1)c1cccc(OC)c1 ZINC000059019192 1407913660 /nfs/dbraw/zinc/91/36/60/1407913660.db2.gz NAFBHECNMLYURI-NRFANRHFSA-N 0 1 390.549 3.240 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccnc(N2CCCCC2)c1)c1cccs1 ZINC000059263741 1407917211 /nfs/dbraw/zinc/91/72/11/1407917211.db2.gz FLYXSRHGPKOOIZ-KRWDZBQOSA-N 0 1 387.553 3.236 20 0 GGADMN CN(C)C(=O)COc1cccc(CNCc2ccccc2OC(F)(F)F)c1 ZINC000059369133 1407920363 /nfs/dbraw/zinc/92/03/63/1407920363.db2.gz LGZGAKQIQRMANL-UHFFFAOYSA-N 0 1 382.382 3.342 20 0 GGADMN Cc1ccccc1OCCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000059393700 1407921427 /nfs/dbraw/zinc/92/14/27/1407921427.db2.gz ATPLHNVGKGALOB-UHFFFAOYSA-N 0 1 383.536 3.420 20 0 GGADMN CCN(CC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000059404616 1407922620 /nfs/dbraw/zinc/92/26/20/1407922620.db2.gz GRLXRXSEBCYEPW-BGYRXZFFSA-N 0 1 395.547 3.439 20 0 GGADMN Cc1ccc(/C=C/S(=O)(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000059746160 1407924978 /nfs/dbraw/zinc/92/49/78/1407924978.db2.gz DXVRNOXZHQUVMX-NTCAYCPXSA-N 0 1 376.497 3.498 20 0 GGADMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000059850216 1407926369 /nfs/dbraw/zinc/92/63/69/1407926369.db2.gz SDIQEPJQHMPGCM-QGZVFWFLSA-N 0 1 382.464 3.055 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)nc2)c2ccccc2)CC1 ZINC000059932557 1407930547 /nfs/dbraw/zinc/93/05/47/1407930547.db2.gz VWKLXJZWBJNMRV-GOSISDBHSA-N 0 1 393.940 3.487 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ccccc3)n2)c(OC)c1 ZINC000060108589 1407940049 /nfs/dbraw/zinc/94/00/49/1407940049.db2.gz VVCZXALEODUCLN-CYBMUJFWSA-N 0 1 398.488 3.458 20 0 GGADMN CSc1ccc(Cl)c(C(=O)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000060131225 1407941680 /nfs/dbraw/zinc/94/16/80/1407941680.db2.gz KNERZGCFVDNOCX-UHFFFAOYSA-N 0 1 390.940 3.139 20 0 GGADMN CC(C)[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC1=O ZINC000060295973 1407950650 /nfs/dbraw/zinc/95/06/50/1407950650.db2.gz JGYBUAPLEOUBCU-ICSRJNTNSA-N 0 1 391.943 3.240 20 0 GGADMN COc1cc([C@@H](C)NCc2c(C)nc3sc(C)cn32)ccc1OCCO ZINC000060321789 1407952191 /nfs/dbraw/zinc/95/21/91/1407952191.db2.gz QVGZXNATMKJVRV-CYBMUJFWSA-N 0 1 375.494 3.243 20 0 GGADMN COc1cc([C@H](C)NCc2c(C)nc3sc(C)cn32)ccc1OCCO ZINC000060321788 1407952414 /nfs/dbraw/zinc/95/24/14/1407952414.db2.gz QVGZXNATMKJVRV-ZDUSSCGKSA-N 0 1 375.494 3.243 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1F)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000060320482 1407952566 /nfs/dbraw/zinc/95/25/66/1407952566.db2.gz SBDFMYVPMCOFKT-HNNXBMFYSA-N 0 1 393.503 3.067 20 0 GGADMN CCSc1cc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)n[nH]2)ccn1 ZINC000060330357 1407953175 /nfs/dbraw/zinc/95/31/75/1407953175.db2.gz VJTLYHGTVBWDDL-UHFFFAOYSA-N 0 1 385.449 3.248 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NO[C@H]1CCCCO1 ZINC000060333290 1407953672 /nfs/dbraw/zinc/95/36/72/1407953672.db2.gz VORJOJDBRFVSFZ-KRWDZBQOSA-N 0 1 391.493 3.194 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC[C@@H]2CCCO2)CC1 ZINC000060331331 1407953707 /nfs/dbraw/zinc/95/37/07/1407953707.db2.gz ZZDJSCDCUIRHKZ-WMZOPIPTSA-N 0 1 377.504 3.104 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC[C@H]2CCCO2)CC1 ZINC000060331332 1407953836 /nfs/dbraw/zinc/95/38/36/1407953836.db2.gz ZZDJSCDCUIRHKZ-SJLPKXTDSA-N 0 1 377.504 3.104 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC[C@@H]2CCCO2)CC1 ZINC000060331330 1407953955 /nfs/dbraw/zinc/95/39/55/1407953955.db2.gz ZZDJSCDCUIRHKZ-AEFFLSMTSA-N 0 1 377.504 3.104 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CSC(F)(F)F)CC1 ZINC000060331339 1407954087 /nfs/dbraw/zinc/95/40/87/1407954087.db2.gz PPYBVDFWLTYRJC-LBPRGKRZSA-N 0 1 393.450 3.398 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000060341840 1407956115 /nfs/dbraw/zinc/95/61/15/1407956115.db2.gz MVGOSYNSNTVNJI-IRXDYDNUSA-N 0 1 394.581 3.355 20 0 GGADMN O=C(NCCNc1ccc2ccccc2n1)NC[C@H](c1ccco1)N1CCCC1 ZINC000060343611 1407956357 /nfs/dbraw/zinc/95/63/57/1407956357.db2.gz ODDSYRBRXFNRFB-LJQANCHMSA-N 0 1 393.491 3.376 20 0 GGADMN CCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000060341842 1407956372 /nfs/dbraw/zinc/95/63/72/1407956372.db2.gz RHQCLRKCABOPJV-CALCHBBNSA-N 0 1 394.581 3.357 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000060343935 1407956379 /nfs/dbraw/zinc/95/63/79/1407956379.db2.gz MRQUFMPTSBAOOC-UHFFFAOYSA-N 0 1 387.871 3.493 20 0 GGADMN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000060344056 1407956420 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ZINC000061230934 1408094260 /nfs/dbraw/zinc/09/42/60/1408094260.db2.gz JXDFKIUUDBVOBW-FQEVSTJZSA-N 0 1 386.459 3.488 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 ZINC000061233053 1408094427 /nfs/dbraw/zinc/09/44/27/1408094427.db2.gz JGRHAVJOUSYUBM-SFHVURJKSA-N 0 1 383.473 3.252 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[nH]c2c1 ZINC000061232628 1408094467 /nfs/dbraw/zinc/09/44/67/1408094467.db2.gz QEPVLLWASRLTOE-DNVCBOLYSA-N 0 1 380.492 3.326 20 0 GGADMN CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000061232283 1408095024 /nfs/dbraw/zinc/09/50/24/1408095024.db2.gz UMLHCMCAYLLHAB-FQEVSTJZSA-N 0 1 376.460 3.485 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCCNC(=O)c3ccco3)[nH]c2c1 ZINC000061232424 1408095060 /nfs/dbraw/zinc/09/50/60/1408095060.db2.gz DOGPERCRUKYAGB-KRWDZBQOSA-N 0 1 380.448 3.338 20 0 GGADMN CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000061286041 1408101531 /nfs/dbraw/zinc/10/15/31/1408101531.db2.gz TYNHONDIICTKSZ-QNGOZBTKSA-N 0 1 395.528 3.351 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000061285969 1408101642 /nfs/dbraw/zinc/10/16/42/1408101642.db2.gz ACBFXHNEFISURR-GOSISDBHSA-N 0 1 389.565 3.211 20 0 GGADMN CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2C)C1 ZINC000061307525 1408104951 /nfs/dbraw/zinc/10/49/51/1408104951.db2.gz YXVXDQUUGAQWRA-SFHVURJKSA-N 0 1 389.565 3.131 20 0 GGADMN COc1ccc(C(=O)CCC(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000061429786 1408126110 /nfs/dbraw/zinc/12/61/10/1408126110.db2.gz SFKUXODFLFKTIO-UHFFFAOYSA-N 0 1 395.503 3.044 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCC(=O)N4)[nH]c2c1 ZINC000061461639 1408132613 /nfs/dbraw/zinc/13/26/13/1408132613.db2.gz YWKQPLUITYNZBE-QGZVFWFLSA-N 0 1 376.416 3.180 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CNC(=O)NC3CCCCC3)[nH]c2c1 ZINC000061461147 1408132655 /nfs/dbraw/zinc/13/26/55/1408132655.db2.gz OPKXWVOEDMXYTJ-SFHVURJKSA-N 0 1 383.496 3.167 20 0 GGADMN N#Cc1ccc(C(=O)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000061465312 1408133771 /nfs/dbraw/zinc/13/37/71/1408133771.db2.gz HZGSVFSKKFXXNN-UHFFFAOYSA-N 0 1 382.832 3.410 20 0 GGADMN CCc1noc(C)c1C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000061485107 1408136976 /nfs/dbraw/zinc/13/69/76/1408136976.db2.gz YFHRZRUNWZLNKI-UHFFFAOYSA-N 0 1 390.399 3.428 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cccc(C[S@@](C)=O)c2)N2CCCC2)cc1 ZINC000061503039 1408139624 /nfs/dbraw/zinc/13/96/24/1408139624.db2.gz AZSKWCXRONDXBC-ZBLYBZFDSA-N 0 1 384.545 3.440 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCCc3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000061522661 1408142187 /nfs/dbraw/zinc/14/21/87/1408142187.db2.gz ANEIMIDAKLHIEJ-QZTJIDSGSA-N 0 1 399.510 3.477 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000061571336 1408148776 /nfs/dbraw/zinc/14/87/76/1408148776.db2.gz DPVOOOUSAOXVSL-AWEZNQCLSA-N 0 1 379.526 3.087 20 0 GGADMN O=C(CNC(=O)OCc1ccccc1)Nc1cccc(CN2CCSCC2)c1 ZINC000061571330 1408149172 /nfs/dbraw/zinc/14/91/72/1408149172.db2.gz IKJMANBJLCCOBS-UHFFFAOYSA-N 0 1 399.516 3.100 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)CNC(=O)OC(C)(C)C ZINC000061596578 1408151606 /nfs/dbraw/zinc/15/16/06/1408151606.db2.gz KEIZCTUPQGDCFO-UHFFFAOYSA-N 0 1 379.526 3.007 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCc2ccc(OC)cc2)c1 ZINC000061620484 1408153408 /nfs/dbraw/zinc/15/34/08/1408153408.db2.gz NEIGTNIBUBZUJT-UHFFFAOYSA-N 0 1 377.462 3.156 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000061622321 1408154355 /nfs/dbraw/zinc/15/43/55/1408154355.db2.gz BECUIRCNOJJICD-UHFFFAOYSA-N 0 1 382.489 3.380 20 0 GGADMN CC(C)(C)n1nc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1C1CC1 ZINC000061647608 1408157568 /nfs/dbraw/zinc/15/75/68/1408157568.db2.gz JRAOMRAWZAMBDC-UHFFFAOYSA-N 0 1 388.556 3.090 20 0 GGADMN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000061647605 1408157697 /nfs/dbraw/zinc/15/76/97/1408157697.db2.gz YRIPGRXETGGAAY-QGZVFWFLSA-N 0 1 394.943 3.377 20 0 GGADMN O=C(CCSc1ccccc1F)N1CCC(CCN2CCOCC2)CC1 ZINC000061648376 1408158260 /nfs/dbraw/zinc/15/82/60/1408158260.db2.gz OLXNUQKZVQCBHF-UHFFFAOYSA-N 0 1 380.529 3.269 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1)N1CCC(CCN2CCOCC2)CC1 ZINC000061647708 1408158322 /nfs/dbraw/zinc/15/83/22/1408158322.db2.gz ZSSZVKVTOJWWDA-UHFFFAOYSA-N 0 1 380.916 3.070 20 0 GGADMN COc1ccc2oc(C(=O)N3CCC(CCN4CCOCC4)CC3)c(C)c2c1 ZINC000061648815 1408158350 /nfs/dbraw/zinc/15/83/50/1408158350.db2.gz SUQIPBZLTGLKNN-UHFFFAOYSA-N 0 1 386.492 3.324 20 0 GGADMN O=C(CCOc1ccccc1Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000061648193 1408158650 /nfs/dbraw/zinc/15/86/50/1408158650.db2.gz CCYBOJFDOGMLCW-UHFFFAOYSA-N 0 1 380.916 3.070 20 0 GGADMN Cc1c(C(=O)N2CCC(CCN3CCOCC3)CC2)cnn1-c1ccccc1C ZINC000061648252 1408158862 /nfs/dbraw/zinc/15/88/62/1408158862.db2.gz BYTSGMDUJAWBLV-UHFFFAOYSA-N 0 1 396.535 3.064 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000061648737 1408158985 /nfs/dbraw/zinc/15/89/85/1408158985.db2.gz FROBQUUXGBVGKW-MRXNPFEDSA-N 0 1 380.916 3.068 20 0 GGADMN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(CCN4CCOCC4)CC3)cc2)n1 ZINC000061648637 1408159011 /nfs/dbraw/zinc/15/90/11/1408159011.db2.gz RNFNARURVJQILK-UHFFFAOYSA-N 0 1 396.535 3.064 20 0 GGADMN Cc1ccc(C(C)C)c(OCC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000061648549 1408159055 /nfs/dbraw/zinc/15/90/55/1408159055.db2.gz LRSBOVRQNNCRBC-UHFFFAOYSA-N 0 1 388.552 3.458 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCC2(c3ccc(F)cc3)CCCC2)C[C@H](C)O1 ZINC000061671397 1408162407 /nfs/dbraw/zinc/16/24/07/1408162407.db2.gz PZBOZUKEQCOXGA-ROUUACIJSA-N 0 1 391.531 3.436 20 0 GGADMN O[C@@H](COCc1ccccc1F)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000061731072 1408166134 /nfs/dbraw/zinc/16/61/34/1408166134.db2.gz NJCIPXILHCXBEW-ZDUSSCGKSA-N 0 1 377.416 3.420 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C[C@H](O)COCc1cccs1)CC2 ZINC000061742107 1408169115 /nfs/dbraw/zinc/16/91/15/1408169115.db2.gz AXVWWIXIWDSQBI-SFHVURJKSA-N 0 1 391.533 3.481 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C[C@H](O)COCc1ccco1)CC2 ZINC000061742084 1408169327 /nfs/dbraw/zinc/16/93/27/1408169327.db2.gz XFVGWNGFAGSQSW-SFHVURJKSA-N 0 1 375.465 3.013 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(OCC(N)=O)cc3)[nH]c2c1 ZINC000061750933 1408169958 /nfs/dbraw/zinc/16/99/58/1408169958.db2.gz PKNSBRXWVOGOIC-SFHVURJKSA-N 0 1 393.447 3.104 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCC[C@H](O)C1 ZINC000061758379 1408171203 /nfs/dbraw/zinc/17/12/03/1408171203.db2.gz RTMCZASMMLMJQD-NRFANRHFSA-N 0 1 382.504 3.071 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCCCC1)c1ccccc1 ZINC000061781909 1408173919 /nfs/dbraw/zinc/17/39/19/1408173919.db2.gz LUUCYCDQSFHCGB-NRFANRHFSA-N 0 1 394.519 3.035 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000061782409 1408174437 /nfs/dbraw/zinc/17/44/37/1408174437.db2.gz SMROWZZNXYIOPY-HNNXBMFYSA-N 0 1 393.459 3.359 20 0 GGADMN Fc1ccc(C[N@H+]2CCCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737646996 1428296625 /nfs/dbraw/zinc/29/66/25/1428296625.db2.gz BXJNTMOVJVGCSC-UHFFFAOYSA-N 0 1 386.862 3.372 20 0 GGADMN C[C@H](Cc1ccco1)NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000061868301 1408186132 /nfs/dbraw/zinc/18/61/32/1408186132.db2.gz GVOFULOMLUIDIM-KZNAEPCWSA-N 0 1 385.508 3.319 20 0 GGADMN Cc1nc2ccc(NC(=O)C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2o1 ZINC000061879308 1408187293 /nfs/dbraw/zinc/18/72/93/1408187293.db2.gz MZQXOSKTOQHWLT-MRXNPFEDSA-N 0 1 398.488 3.090 20 0 GGADMN CCc1ccc(CNC(=O)NCCCN2CCN(c3ccccc3)CC2)s1 ZINC000061968503 1408195096 /nfs/dbraw/zinc/19/50/96/1408195096.db2.gz CQYJVXRUVBINJW-UHFFFAOYSA-N 0 1 386.565 3.322 20 0 GGADMN O=C(NC[C@H](O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000062009355 1408201908 /nfs/dbraw/zinc/20/19/08/1408201908.db2.gz GOQIYXCJKISLKP-ROUUACIJSA-N 0 1 391.899 3.493 20 0 GGADMN O=C(NC[C@H](O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000062009342 1408202340 /nfs/dbraw/zinc/20/23/40/1408202340.db2.gz NUVCILQMDBDDNQ-IRXDYDNUSA-N 0 1 377.872 3.103 20 0 GGADMN COc1cccc(CCCN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000062092938 1408208732 /nfs/dbraw/zinc/20/87/32/1408208732.db2.gz RJAFYNJVHFFJPC-UHFFFAOYSA-N 0 1 391.515 3.496 20 0 GGADMN CCN(C[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1)CC(F)(F)F ZINC000176397025 1428299782 /nfs/dbraw/zinc/29/97/82/1428299782.db2.gz PLBQHKCTRKCDKR-CYBMUJFWSA-N 0 1 376.394 3.398 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)[C@H](C)c3ccccc3)n2)cc1 ZINC000176397042 1428299993 /nfs/dbraw/zinc/29/99/93/1428299993.db2.gz MMZNSDVQTJGQMH-GJZGRUSLSA-N 0 1 379.464 3.472 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](C)[C@H](C)c3ccccc3)n[nH]2)cc1 ZINC000176397042 1428300004 /nfs/dbraw/zinc/30/00/04/1428300004.db2.gz MMZNSDVQTJGQMH-GJZGRUSLSA-N 0 1 379.464 3.472 20 0 GGADMN CCN(C[C@@H]1CCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1)CC(F)(F)F ZINC000176398447 1428300665 /nfs/dbraw/zinc/30/06/65/1428300665.db2.gz BYRCKKFMSXXLSJ-FUHWJXTLSA-N 0 1 383.458 3.306 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000176398270 1428300810 /nfs/dbraw/zinc/30/08/10/1428300810.db2.gz QRDPGNSVZSHSDL-RBUKOAKNSA-N 0 1 394.519 3.173 20 0 GGADMN CCN(C[C@H]1CCN([C@@H](C)C(=O)NCc2ccccc2F)C1)CC(F)(F)F ZINC000176400470 1428302781 /nfs/dbraw/zinc/30/27/81/1428302781.db2.gz HWOSBIHMVBVMIW-LSDHHAIUSA-N 0 1 389.437 3.037 20 0 GGADMN C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000062421089 1408255121 /nfs/dbraw/zinc/25/51/21/1408255121.db2.gz ODLQFLNBKLVBHC-MRXNPFEDSA-N 0 1 384.505 3.154 20 0 GGADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCCS(C)(=O)=O)cc1 ZINC000062423176 1408256244 /nfs/dbraw/zinc/25/62/44/1408256244.db2.gz DFTPDEVUFAYNIC-UHFFFAOYSA-N 0 1 383.517 3.041 20 0 GGADMN Cc1ccc(Cn2cc(CNCCS(C)(=O)=O)c(-c3ccc(C)cc3)n2)cc1 ZINC000062423122 1408256782 /nfs/dbraw/zinc/25/67/82/1408256782.db2.gz QUEUKJRJZIPOID-UHFFFAOYSA-N 0 1 397.544 3.349 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000062428939 1408257063 /nfs/dbraw/zinc/25/70/63/1408257063.db2.gz QDDZKADKNLILIQ-QGZVFWFLSA-N 0 1 386.452 3.441 20 0 GGADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCCS(C)(=O)=O)cc1C 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GGADMN Cc1c(C(=O)NCc2cccnc2N2CCN(C)CC2)oc2c1c(C)ccc2C ZINC000066343185 1408818803 /nfs/dbraw/zinc/81/88/03/1408818803.db2.gz FPXASWQEJSIFTL-UHFFFAOYSA-N 0 1 392.503 3.435 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000176527124 1428351274 /nfs/dbraw/zinc/35/12/74/1428351274.db2.gz ZVSIQCXIZWQWGF-XXBNENTESA-N 0 1 377.532 3.452 20 0 GGADMN CCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000066354334 1408821491 /nfs/dbraw/zinc/82/14/91/1408821491.db2.gz VNHUEVPZXNBHNL-IRXDYDNUSA-N 0 1 386.521 3.236 20 0 GGADMN O=C(c1ccsc1)N1CCCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000066376438 1408826091 /nfs/dbraw/zinc/82/60/91/1408826091.db2.gz VVGUVQKVBQAMPH-UHFFFAOYSA-N 0 1 388.489 3.094 20 0 GGADMN COCCCN(C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000066378745 1408826801 /nfs/dbraw/zinc/82/68/01/1408826801.db2.gz UMSIOGCZYONXMJ-CYBMUJFWSA-N 0 1 392.418 3.026 20 0 GGADMN COCCCN(C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000066378934 1408826823 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O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000066445117 1408839695 /nfs/dbraw/zinc/83/96/95/1408839695.db2.gz KKNVBFHOTKNOGY-GOSISDBHSA-N 0 1 379.416 3.367 20 0 GGADMN CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000066444877 1408839734 /nfs/dbraw/zinc/83/97/34/1408839734.db2.gz PBEAVPXCGRLMGF-GOSISDBHSA-N 0 1 399.472 3.211 20 0 GGADMN CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000066444875 1408839768 /nfs/dbraw/zinc/83/97/68/1408839768.db2.gz PBEAVPXCGRLMGF-SFHVURJKSA-N 0 1 399.472 3.211 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000066445030 1408839884 /nfs/dbraw/zinc/83/98/84/1408839884.db2.gz FBXNJFDRWUPXQJ-GOSISDBHSA-N 0 1 399.472 3.379 20 0 GGADMN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc(F)cc(F)c1 ZINC000066445477 1408840088 /nfs/dbraw/zinc/84/00/88/1408840088.db2.gz QNQZLUCJFASNKK-MRXNPFEDSA-N 0 1 379.388 3.493 20 0 GGADMN CC(C)(C)C1CCC2(CC(=O)N(CN(C[C@H]3CCOC3)C3CC3)C2=O)CC1 ZINC000066447963 1408840239 /nfs/dbraw/zinc/84/02/39/1408840239.db2.gz HWSDTOFPSYOOBB-CSZIGFGKSA-N 0 1 376.541 3.426 20 0 GGADMN CCCCc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)NC)c3)cc2[nH]1 ZINC000066453815 1408840980 /nfs/dbraw/zinc/84/09/80/1408840980.db2.gz YSJSEVDWVSWSAI-UHFFFAOYSA-N 0 1 386.477 3.066 20 0 GGADMN CN1CCN(c2ncccc2CNc2nc(C(F)F)nc3ccccc32)CC1 ZINC000066465192 1408843069 /nfs/dbraw/zinc/84/30/69/1408843069.db2.gz BDIPJYNMLCFNHM-UHFFFAOYSA-N 0 1 384.434 3.326 20 0 GGADMN CCOc1ccc(CN(C)C(=O)CONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000066468757 1408843445 /nfs/dbraw/zinc/84/34/45/1408843445.db2.gz VPMCLCYNUCZPQU-UHFFFAOYSA-N 0 1 384.476 3.069 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000066471947 1408844151 /nfs/dbraw/zinc/84/41/51/1408844151.db2.gz DGFGEWUZDYBFIZ-YJBOKZPZSA-N 0 1 377.554 3.122 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)C[C@H](C)O1 ZINC000066482084 1408845330 /nfs/dbraw/zinc/84/53/30/1408845330.db2.gz CZQCZAQJINGUER-KSVNGYGVSA-N 0 1 392.590 3.227 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1[C@H](C)CCC[C@H]1C ZINC000066531657 1408853796 /nfs/dbraw/zinc/85/37/96/1408853796.db2.gz ISRHEHZGDDFANP-HUUCEWRRSA-N 0 1 378.542 3.069 20 0 GGADMN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2c[nH]nc21 ZINC000176545852 1428358914 /nfs/dbraw/zinc/35/89/14/1428358914.db2.gz KYALGVIFXYFXSI-CQSZACIVSA-N 0 1 393.365 3.094 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000176534964 1428354549 /nfs/dbraw/zinc/35/45/49/1428354549.db2.gz XPYJGHBBDSQYIM-OAHLLOKOSA-N 0 1 379.932 3.027 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000176534948 1428354618 /nfs/dbraw/zinc/35/46/18/1428354618.db2.gz XPYJGHBBDSQYIM-HNNXBMFYSA-N 0 1 379.932 3.027 20 0 GGADMN O=C(NCCc1nc2cc(F)ccc2[nH]1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000176534772 1428354692 /nfs/dbraw/zinc/35/46/92/1428354692.db2.gz VRGQBBOOVVMWMB-FQEVSTJZSA-N 0 1 380.467 3.415 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNS(=O)(=O)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000066575483 1408859657 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C[C@@H](CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)NC(=O)C1CCCCC1 ZINC000066602407 1408864507 /nfs/dbraw/zinc/86/45/07/1408864507.db2.gz PNIXTSNMZWAFMG-KXBFYZLASA-N 0 1 377.504 3.020 20 0 GGADMN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000066602398 1408864531 /nfs/dbraw/zinc/86/45/31/1408864531.db2.gz QCHAPYDENWLVSG-RBBKRZOGSA-N 0 1 399.510 3.448 20 0 GGADMN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000066602400 1408864538 /nfs/dbraw/zinc/86/45/38/1408864538.db2.gz QCHAPYDENWLVSG-IFMALSPDSA-N 0 1 399.510 3.448 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCc2ccccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000066604603 1408865161 /nfs/dbraw/zinc/86/51/61/1408865161.db2.gz FXMGDPASTLLOTN-HUUCEWRRSA-N 0 1 388.430 3.133 20 0 GGADMN COc1cccc([C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)N2CCCC2)c1 ZINC000066607972 1408866122 /nfs/dbraw/zinc/86/61/22/1408866122.db2.gz ALWXYKHWNSWUJK-HXUWFJFHSA-N 0 1 392.496 3.091 20 0 GGADMN C/C(=C/C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1Cl ZINC000066616144 1408868654 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3.091 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000066829551 1408923051 /nfs/dbraw/zinc/92/30/51/1408923051.db2.gz JBSKRCRDGFTRLA-UHFFFAOYSA-N 0 1 385.552 3.297 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000066831076 1408923313 /nfs/dbraw/zinc/92/33/13/1408923313.db2.gz MGNKKWSHCSPZRA-HXUWFJFHSA-N 0 1 384.430 3.446 20 0 GGADMN C[C@H](C(=O)N1CCCCCC1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831445 1408924384 /nfs/dbraw/zinc/92/43/84/1408924384.db2.gz HGBKZNAWIBFDMU-QGZVFWFLSA-N 0 1 381.524 3.442 20 0 GGADMN CCc1c(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)[nH]nc1-c1ccncc1 ZINC000066837766 1408925283 /nfs/dbraw/zinc/92/52/83/1408925283.db2.gz LZCWBKZXRYYABL-WIHSUSGWSA-N 0 1 395.507 3.400 20 0 GGADMN C[C@H](CN(C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000066853570 1408932090 /nfs/dbraw/zinc/93/20/90/1408932090.db2.gz ITWMQOMWTBZAHK-LJQANCHMSA-N 0 1 399.579 3.409 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN(C)C[C@@H](C)c2ccccc2)CC1 ZINC000066853467 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COc1cc([C@H](C)NCc2ccccc2N2CCOCC2)cc(OC)c1OC ZINC000066972848 1408969720 /nfs/dbraw/zinc/96/97/20/1408969720.db2.gz AHTRLDCRAXXTDZ-INIZCTEOSA-N 0 1 386.492 3.400 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCc2cccnc2N2CCN(C)CC2)C2CC2)cc1 ZINC000066986245 1408972686 /nfs/dbraw/zinc/97/26/86/1408972686.db2.gz GRDUBJGSWBRDQR-NRFANRHFSA-N 0 1 393.535 3.092 20 0 GGADMN Cn1c(CNC[C@H](O)COc2cccc(Cl)c2Cl)nc2ccccc21 ZINC000066989657 1408973183 /nfs/dbraw/zinc/97/31/83/1408973183.db2.gz JTNDBBYFVVRHNI-LBPRGKRZSA-N 0 1 380.275 3.410 20 0 GGADMN Cn1c(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000066989602 1408973240 /nfs/dbraw/zinc/97/32/40/1408973240.db2.gz ICDALRGBTBTLKT-AWEZNQCLSA-N 0 1 379.382 3.122 20 0 GGADMN O=C(NCc1ccccc1-n1cccn1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000067005281 1408978785 /nfs/dbraw/zinc/97/87/85/1408978785.db2.gz WMUXVSNVGMETKS-IBGZPJMESA-N 0 1 379.464 3.102 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(SC)c(OC)c2)c1 ZINC000067010339 1408979638 /nfs/dbraw/zinc/97/96/38/1408979638.db2.gz ZFVBOWGWJPSNGR-ZDUSSCGKSA-N 0 1 380.535 3.176 20 0 GGADMN CCOc1ccc(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1OCC ZINC000067010350 1408979685 /nfs/dbraw/zinc/97/96/85/1408979685.db2.gz NMRNHOUZHCXMJQ-OAHLLOKOSA-N 0 1 392.521 3.243 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000067013825 1408980974 /nfs/dbraw/zinc/98/09/74/1408980974.db2.gz UOYHITXQCAMQKJ-OAQYLSRUSA-N 0 1 398.482 3.183 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000067013599 1408981266 /nfs/dbraw/zinc/98/12/66/1408981266.db2.gz JDUMULXOMKYXCK-OAQYLSRUSA-N 0 1 398.482 3.183 20 0 GGADMN CCCOCCOC(=O)c1ccnc(NC2CCN(Cc3ccccn3)CC2)c1 ZINC000176569706 1428366477 /nfs/dbraw/zinc/36/64/77/1428366477.db2.gz RQOOQCVDBCHJGO-UHFFFAOYSA-N 0 1 398.507 3.137 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4[nH]c(C5CCC5)nc4c3)cc12 ZINC000176581804 1428370160 /nfs/dbraw/zinc/37/01/60/1428370160.db2.gz CJLKBYDELOAUJJ-UHFFFAOYSA-N 0 1 396.476 3.221 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCc2ccc3c(c2)OCCCO3)N2CCCC2)o1 ZINC000067081725 1409004888 /nfs/dbraw/zinc/00/48/88/1409004888.db2.gz IFBJVZJJGJBDTG-SFHVURJKSA-N 0 1 399.491 3.386 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCCSC(C)(C)C)CC2)cc1 ZINC000067087167 1409006364 /nfs/dbraw/zinc/00/63/64/1409006364.db2.gz AQIXTBSQJOULOL-UHFFFAOYSA-N 0 1 379.570 3.444 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN3CCC[C@@H]3C(=O)N3CCSCC3)cc2)n1 ZINC000067117809 1409012666 /nfs/dbraw/zinc/01/26/66/1409012666.db2.gz YMMMLSKCPIFKLD-HXUWFJFHSA-N 0 1 384.549 3.029 20 0 GGADMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)OC)c1 ZINC000067124017 1409013972 /nfs/dbraw/zinc/01/39/72/1409013972.db2.gz IPAWMOVRCNAONB-UHFFFAOYSA-N 0 1 379.394 3.136 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1ccc(C)c(NC(=O)c2ccncc2)c1 ZINC000067124299 1409014744 /nfs/dbraw/zinc/01/47/44/1409014744.db2.gz HJOCGRVDSSGCMG-UHFFFAOYSA-N 0 1 397.456 3.452 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000067129580 1409015589 /nfs/dbraw/zinc/01/55/89/1409015589.db2.gz ZIQFMCLTTQTNKA-LSDHHAIUSA-N 0 1 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ZINC000067158333 1409026199 /nfs/dbraw/zinc/02/61/99/1409026199.db2.gz VUXHCMFCRIUEGV-LBPRGKRZSA-N 0 1 393.476 3.133 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cn4c5ccccc5oc4=O)C3)[nH]c2c1 ZINC000067158683 1409026354 /nfs/dbraw/zinc/02/63/54/1409026354.db2.gz ZBHSPPLJLGYBJV-HNNXBMFYSA-N 0 1 390.443 3.185 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H](C)NC(=O)C4CCCC4)C3)[nH]c2c1 ZINC000067158504 1409026392 /nfs/dbraw/zinc/02/63/92/1409026392.db2.gz LIHLREQNBCQONV-DOTOQJQBSA-N 0 1 382.508 3.272 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCC(=O)N5)C3)[nH]c2c1 ZINC000067158645 1409026438 /nfs/dbraw/zinc/02/64/38/1409026438.db2.gz ITIXCFSUBXRZMA-HNNXBMFYSA-N 0 1 390.443 3.222 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc5c([nH]c4=O)CCC5)C3)[nH]c2c1 ZINC000067158497 1409026448 /nfs/dbraw/zinc/02/64/48/1409026448.db2.gz VNYCDMVJGGJHDE-HNNXBMFYSA-N 0 1 376.460 3.068 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CNC(=O)CC4CCCC4)C3)[nH]c2c1 ZINC000067158313 1409026551 /nfs/dbraw/zinc/02/65/51/1409026551.db2.gz KACZFENRIXHWCA-KRWDZBQOSA-N 0 1 382.508 3.274 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000067158420 1409026562 /nfs/dbraw/zinc/02/65/62/1409026562.db2.gz NLFFXWVVMDUNHJ-LSDHHAIUSA-N 0 1 386.496 3.491 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4CCCN(C(=O)C5CC5)C4)C3)[nH]c2c1 ZINC000067158571 1409026588 /nfs/dbraw/zinc/02/65/88/1409026588.db2.gz WVWCLNQYMNGZOM-ZWKOTPCHSA-N 0 1 394.519 3.226 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CN4CCCCCCC4=O)C3)[nH]c2c1 ZINC000067158498 1409026599 /nfs/dbraw/zinc/02/65/99/1409026599.db2.gz LCHGZCXQRGAHRC-QGZVFWFLSA-N 0 1 382.508 3.370 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C(C)C)N4CCCC4=O)C3)[nH]c2c1 ZINC000067158397 1409026641 /nfs/dbraw/zinc/02/66/41/1409026641.db2.gz YKUSTHCPUXMGOT-OXJNMPFZSA-N 0 1 382.508 3.224 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H](C)NC(=O)C4CCCC4)C3)[nH]c2c1 ZINC000067158502 1409026677 /nfs/dbraw/zinc/02/66/77/1409026677.db2.gz LIHLREQNBCQONV-NVXWUHKLSA-N 0 1 382.508 3.272 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCNC(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000067158756 1409026981 /nfs/dbraw/zinc/02/69/81/1409026981.db2.gz QHCWFNZEKBQDEG-OAHLLOKOSA-N 0 1 386.496 3.492 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000067161014 1409028031 /nfs/dbraw/zinc/02/80/31/1409028031.db2.gz OFGVBYKZWPNTOZ-HZPDHXFCSA-N 0 1 381.542 3.257 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc3cnn(C(C)C)c3nc2C)N(C)C)c1 ZINC000067181728 1409034817 /nfs/dbraw/zinc/03/48/17/1409034817.db2.gz QJCUQPXYDKWHFQ-FQEVSTJZSA-N 0 1 395.507 3.362 20 0 GGADMN CC(C)Cc1ccc([C@H](NCc2cn(C)c(=O)n(C)c2=O)c2cccs2)cc1 ZINC000067184850 1409035210 /nfs/dbraw/zinc/03/52/10/1409035210.db2.gz ABPVRCVHSYIBAR-FQEVSTJZSA-N 0 1 397.544 3.223 20 0 GGADMN CCCCc1ccc([C@@H](NCc2cn(C)c(=O)n(C)c2=O)c2cccs2)cc1 ZINC000067184948 1409035401 /nfs/dbraw/zinc/03/54/01/1409035401.db2.gz VQPONLQBSDSOQE-HXUWFJFHSA-N 0 1 397.544 3.367 20 0 GGADMN CN1CCN(c2cc(CNCc3csc(-c4ccsc4)n3)ccn2)CC1 ZINC000067189121 1409036435 /nfs/dbraw/zinc/03/64/35/1409036435.db2.gz MVMSSYVATQYEOP-UHFFFAOYSA-N 0 1 385.562 3.308 20 0 GGADMN CCCC(=O)Nc1cccc(CNCc2ccccc2OCC(=O)N(C)C)c1 ZINC000067189239 1409036779 /nfs/dbraw/zinc/03/67/79/1409036779.db2.gz UETITNSDAZVDQQ-UHFFFAOYSA-N 0 1 383.492 3.182 20 0 GGADMN C#Cc1cccc(NC(=S)NNC(=O)c2nc(-c3cccs3)oc2C)c1 ZINC000067196303 1409039575 /nfs/dbraw/zinc/03/95/75/1409039575.db2.gz FSCLRLLUSBTIAT-UHFFFAOYSA-N 0 1 382.470 3.324 20 0 GGADMN CNS(=O)(=O)Cc1ccc(CNCc2ccccc2OC2CCCC2)cc1 ZINC000067216530 1409045389 /nfs/dbraw/zinc/04/53/89/1409045389.db2.gz ZOILHXFVJHLQBB-UHFFFAOYSA-N 0 1 388.533 3.347 20 0 GGADMN COc1ccc(Br)cc1CNC[C@H](O)COc1cccc(F)c1 ZINC000067224810 1409047397 /nfs/dbraw/zinc/04/73/97/1409047397.db2.gz IMQPYSXWHDQGBT-HNNXBMFYSA-N 0 1 384.245 3.126 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000176582589 1428370532 /nfs/dbraw/zinc/37/05/32/1428370532.db2.gz PYHLMKRKLXFIMI-UHFFFAOYSA-N 0 1 384.379 3.415 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@@H](O)COCC(C)C ZINC000067247159 1409051894 /nfs/dbraw/zinc/05/18/94/1409051894.db2.gz VCMLJGCRROYYTI-QGZVFWFLSA-N 0 1 383.895 3.155 20 0 GGADMN COc1ccc(OC)c(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000067255208 1409054822 /nfs/dbraw/zinc/05/48/22/1409054822.db2.gz NWPIEKSILRNJIO-HNNXBMFYSA-N 0 1 385.382 3.252 20 0 GGADMN CCCCCNC(=O)C(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 ZINC000067257710 1409055764 /nfs/dbraw/zinc/05/57/64/1409055764.db2.gz FRKAJOVEJZDMBV-UHFFFAOYSA-N 0 1 394.947 3.117 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1cccc(OCCn2cncn2)c1)c1ccccc1 ZINC000067267595 1409058688 /nfs/dbraw/zinc/05/86/88/1409058688.db2.gz KTNGDISRWRVYBF-OAQYLSRUSA-N 0 1 393.491 3.379 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccco1 ZINC000067273998 1409060601 /nfs/dbraw/zinc/06/06/01/1409060601.db2.gz IOVCJBLGGMEXCV-SJORKVTESA-N 0 1 377.529 3.063 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccco1 ZINC000067274286 1409060654 /nfs/dbraw/zinc/06/06/54/1409060654.db2.gz MABCMBQTGCTZCP-IRXDYDNUSA-N 0 1 387.480 3.067 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000067276561 1409061183 /nfs/dbraw/zinc/06/11/83/1409061183.db2.gz ZBOCGHCOXKZQOZ-YOEHRIQHSA-N 0 1 391.899 3.251 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(F)c(-n2nnnc2C)c1)c1ccccc1 ZINC000067276958 1409061221 /nfs/dbraw/zinc/06/12/21/1409061221.db2.gz KPXRSUQYSJXGRS-LJQANCHMSA-N 0 1 382.443 3.131 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1ccc(-n2nc(C)cc2C)nc1)c1ccco1 ZINC000067274929 1409061465 /nfs/dbraw/zinc/06/14/65/1409061465.db2.gz BVGIVEZHAIAFGB-GOSISDBHSA-N 0 1 381.480 3.290 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccco1 ZINC000067276330 1409061559 /nfs/dbraw/zinc/06/15/59/1409061559.db2.gz HKHZPLIKEKKJMA-KRWDZBQOSA-N 0 1 385.464 3.167 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)nc2)N(C)C)c1 ZINC000067284965 1409063964 /nfs/dbraw/zinc/06/39/64/1409063964.db2.gz HLONODCURFJUNI-HXUWFJFHSA-N 0 1 376.460 3.185 20 0 GGADMN COCCOc1ccc(F)cc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000067293895 1409066134 /nfs/dbraw/zinc/06/61/34/1409066134.db2.gz LWNBOBINIWHMKV-OAHLLOKOSA-N 0 1 381.473 3.337 20 0 GGADMN COCCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000067293707 1409066213 /nfs/dbraw/zinc/06/62/13/1409066213.db2.gz GIAKDRRFTRLCJL-MRXNPFEDSA-N 0 1 381.473 3.337 20 0 GGADMN COCCOc1ccc(F)cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000067293552 1409066255 /nfs/dbraw/zinc/06/62/55/1409066255.db2.gz VWNYGXWDPUTKEM-SFHVURJKSA-N 0 1 393.434 3.414 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000067299139 1409067173 /nfs/dbraw/zinc/06/71/73/1409067173.db2.gz UQPQBHNALQPQSE-UHFFFAOYSA-N 0 1 393.466 3.324 20 0 GGADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000067308297 1409068590 /nfs/dbraw/zinc/06/85/90/1409068590.db2.gz LXNDJIHFTNXDBT-LJQANCHMSA-N 0 1 388.512 3.192 20 0 GGADMN COCCCNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000067308394 1409068679 /nfs/dbraw/zinc/06/86/79/1409068679.db2.gz FQQDTKHZFNZQAQ-UHFFFAOYSA-N 0 1 376.501 3.049 20 0 GGADMN COCC[C@H](C)NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000067308316 1409068841 /nfs/dbraw/zinc/06/88/41/1409068841.db2.gz WRBUYGNMYFTLIA-KRWDZBQOSA-N 0 1 390.528 3.438 20 0 GGADMN COCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000067308320 1409068900 /nfs/dbraw/zinc/06/89/00/1409068900.db2.gz WRBUYGNMYFTLIA-QGZVFWFLSA-N 0 1 390.528 3.438 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)C(=O)NC(CC)CC)cc2Cl)CC1 ZINC000067317103 1409070808 /nfs/dbraw/zinc/07/08/08/1409070808.db2.gz AWZOZHGLUGAGNX-UHFFFAOYSA-N 0 1 394.947 3.115 20 0 GGADMN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000067320356 1409072118 /nfs/dbraw/zinc/07/21/18/1409072118.db2.gz ROLORFIZXODNND-OXQOHEQNSA-N 0 1 383.492 3.222 20 0 GGADMN COc1cc(F)ccc1N1CCN(C(=O)CCc2nc3cccc(C)c3[nH]2)CC1 ZINC000176588057 1428372408 /nfs/dbraw/zinc/37/24/08/1428372408.db2.gz CCMHLOFNRGAWNM-UHFFFAOYSA-N 0 1 396.466 3.300 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000067321973 1409072387 /nfs/dbraw/zinc/07/23/87/1409072387.db2.gz OPBJEHXOUIPTBA-YOEHRIQHSA-N 0 1 389.521 3.283 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000067321978 1409072606 /nfs/dbraw/zinc/07/26/06/1409072606.db2.gz OPBJEHXOUIPTBA-WMLDXEAASA-N 0 1 389.521 3.283 20 0 GGADMN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000067322033 1409073104 /nfs/dbraw/zinc/07/31/04/1409073104.db2.gz QOTZNIPHIXAJRF-RHSMWYFYSA-N 0 1 389.521 3.283 20 0 GGADMN COC(=O)Nc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1F ZINC000067324290 1409073861 /nfs/dbraw/zinc/07/38/61/1409073861.db2.gz BDZJVSQBGZIGQI-HNNXBMFYSA-N 0 1 380.445 3.490 20 0 GGADMN COC(=O)Nc1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)ccc1F ZINC000067324291 1409074118 /nfs/dbraw/zinc/07/41/18/1409074118.db2.gz BDZJVSQBGZIGQI-OAHLLOKOSA-N 0 1 380.445 3.490 20 0 GGADMN C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000176589854 1428372597 /nfs/dbraw/zinc/37/25/97/1428372597.db2.gz KWNPBMGFPDOLNS-SNVBAGLBSA-N 0 1 393.415 3.127 20 0 GGADMN CSCc1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000067351250 1409081652 /nfs/dbraw/zinc/08/16/52/1409081652.db2.gz JVIHAORKLWRVEZ-UHFFFAOYSA-N 0 1 385.537 3.018 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1cccs1 ZINC000067357558 1409083156 /nfs/dbraw/zinc/08/31/56/1409083156.db2.gz ZWGRBXNVRMSJLD-DLBZAZTESA-N 0 1 377.485 3.273 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1cccs1 ZINC000067357648 1409083454 /nfs/dbraw/zinc/08/34/54/1409083454.db2.gz BZJAHERBQWYHFT-SJORKVTESA-N 0 1 377.485 3.273 20 0 GGADMN CCc1n[nH]c(=O)c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1CC ZINC000176593681 1428373927 /nfs/dbraw/zinc/37/39/27/1428373927.db2.gz JIHKXCWNEPNDAR-UHFFFAOYSA-N 0 1 388.431 3.085 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC)cc2Cl)CC1 ZINC000067374791 1409090656 /nfs/dbraw/zinc/09/06/56/1409090656.db2.gz JXZPKFQNJRDWDP-HNNXBMFYSA-N 0 1 394.947 3.067 20 0 GGADMN CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000067379667 1409093277 /nfs/dbraw/zinc/09/32/77/1409093277.db2.gz DWZQQAUMOQGHQA-CQSZACIVSA-N 0 1 397.466 3.482 20 0 GGADMN O=C(NCc1ccc2c(c1)OCCCO2)NC[C@H](c1ccco1)N1CCCCC1 ZINC000067381474 1409093908 /nfs/dbraw/zinc/09/39/08/1409093908.db2.gz KULMZKUZIKGERL-GOSISDBHSA-N 0 1 399.491 3.467 20 0 GGADMN CCN(c1ccc(NC(=O)C(=O)NCCN(C)Cc2ccccc2)cc1)C(C)C ZINC000067379956 1409094060 /nfs/dbraw/zinc/09/40/60/1409094060.db2.gz RBAOWFSWICPOGR-UHFFFAOYSA-N 0 1 396.535 3.108 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1cccc(F)c1 ZINC000067382744 1409094930 /nfs/dbraw/zinc/09/49/30/1409094930.db2.gz YWQBGNQHVDLAOR-VQTJNVASSA-N 0 1 389.446 3.351 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc2c(c1)OCCCO2)c1cccc(F)c1 ZINC000067382697 1409095220 /nfs/dbraw/zinc/09/52/20/1409095220.db2.gz IEOKDRPBNVUONW-SFHVURJKSA-N 0 1 387.455 3.089 20 0 GGADMN CCn1nc(C)c(CNC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1C ZINC000067382563 1409095271 /nfs/dbraw/zinc/09/52/71/1409095271.db2.gz QSCNWVXTLJPFBD-HXUWFJFHSA-N 0 1 399.539 3.165 20 0 GGADMN Cc1noc(CCCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000067389448 1409097853 /nfs/dbraw/zinc/09/78/53/1409097853.db2.gz RLEWJYAKEWGRGT-QGZVFWFLSA-N 0 1 391.903 3.100 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1ccsc1 ZINC000067389593 1409097878 /nfs/dbraw/zinc/09/78/78/1409097878.db2.gz AVPOTGUGKNWFAT-QZTJIDSGSA-N 0 1 377.485 3.273 20 0 GGADMN CC(=O)NC[C@H]1CCCN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000067412592 1409107861 /nfs/dbraw/zinc/10/78/61/1409107861.db2.gz XXZZPGZYLRWHSY-HXUWFJFHSA-N 0 1 385.552 3.149 20 0 GGADMN CC(=O)NC[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000067412937 1409108669 /nfs/dbraw/zinc/10/86/69/1409108669.db2.gz IBDVVHSPVHQROU-DENIHFKCSA-N 0 1 399.579 3.496 20 0 GGADMN CC(=O)NC[C@H]1CCCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000067419357 1409112042 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Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c12 ZINC000176713456 1428427997 /nfs/dbraw/zinc/42/79/97/1428427997.db2.gz VYWYRVKAGYEMOX-UHFFFAOYSA-N 0 1 392.438 3.142 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3nn(C(C)C)c(=O)c4ccccc43)n2)cc1 ZINC000070724768 1409758990 /nfs/dbraw/zinc/75/89/90/1409758990.db2.gz GVTBJISQKPCESE-UHFFFAOYSA-N 0 1 388.431 3.323 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c(C)c1 ZINC000070723267 1409759170 /nfs/dbraw/zinc/75/91/70/1409759170.db2.gz DVIFLXSYTDSXRQ-KRWDZBQOSA-N 0 1 389.521 3.203 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000070749540 1409763569 /nfs/dbraw/zinc/76/35/69/1409763569.db2.gz GWMVCXHBDRMGRK-HXUWFJFHSA-N 0 1 395.503 3.286 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737292506 1428428343 /nfs/dbraw/zinc/42/83/43/1428428343.db2.gz UKEISPPPWDKTCU-KRWDZBQOSA-N 0 1 397.527 3.295 20 0 GGADMN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2[nH]nnc2c1 ZINC000176714756 1428428676 /nfs/dbraw/zinc/42/86/76/1428428676.db2.gz HTJXXZRTIBUUKS-LJQANCHMSA-N 0 1 385.427 3.458 20 0 GGADMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)c(C)c1 ZINC000070776026 1409773432 /nfs/dbraw/zinc/77/34/32/1409773432.db2.gz BHXFKSPCAWUSIM-ZDUSSCGKSA-N 0 1 386.477 3.200 20 0 GGADMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)c(C)c1 ZINC000070776023 1409773923 /nfs/dbraw/zinc/77/39/23/1409773923.db2.gz BHXFKSPCAWUSIM-CYBMUJFWSA-N 0 1 386.477 3.200 20 0 GGADMN COCCn1ncc2ccc(NS(=O)(=O)c3cccc4cc(C)cnc43)cc21 ZINC000070783571 1409774595 /nfs/dbraw/zinc/77/45/95/1409774595.db2.gz XUVTZCNANPPBRJ-UHFFFAOYSA-N 0 1 396.472 3.340 20 0 GGADMN O=C(c1nc(N2CCCC2)ncc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC000070825875 1409784468 /nfs/dbraw/zinc/78/44/68/1409784468.db2.gz ZAKAZHHCDIDNAU-UHFFFAOYSA-N 0 1 391.947 3.068 20 0 GGADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000070839825 1409787612 /nfs/dbraw/zinc/78/76/12/1409787612.db2.gz HUZKRFWRELPKSP-AQNXPRMDSA-N 0 1 385.508 3.397 20 0 GGADMN O=C(NCCN1CCCCC1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000070841485 1409788633 /nfs/dbraw/zinc/78/86/33/1409788633.db2.gz VVJATWLZOYTLAT-UHFFFAOYSA-N 0 1 385.439 3.159 20 0 GGADMN Cc1cccc(Oc2ncccc2NC(=O)C(=O)NCCN2CCCCC2)c1C ZINC000070841618 1409788662 /nfs/dbraw/zinc/78/86/62/1409788662.db2.gz QYIOXTPQQGYUCI-UHFFFAOYSA-N 0 1 396.491 3.031 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000070869211 1409793346 /nfs/dbraw/zinc/79/33/46/1409793346.db2.gz XSVOWASRUSIAGO-IBGZPJMESA-N 0 1 395.503 3.023 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@@H](C)c1nnc2ccccn21 ZINC000070869422 1409793419 /nfs/dbraw/zinc/79/34/19/1409793419.db2.gz FGCCZHIFIPEIAW-FUHWJXTLSA-N 0 1 382.508 3.426 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@H](C)c1nnc2ccccn21 ZINC000070869424 1409793661 /nfs/dbraw/zinc/79/36/61/1409793661.db2.gz FGCCZHIFIPEIAW-SJLPKXTDSA-N 0 1 382.508 3.426 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1nnc2ccccn21 ZINC000070869547 1409794115 /nfs/dbraw/zinc/79/41/15/1409794115.db2.gz QBZLENRZWIOQMJ-YLJYHZDGSA-N 0 1 388.471 3.487 20 0 GGADMN COc1ccc(COC[C@H](O)CN(C)Cc2cc(Cl)ccc2OC)cc1 ZINC000070869984 1409794130 /nfs/dbraw/zinc/79/41/30/1409794130.db2.gz MWGBYKPTBGUQKQ-GOSISDBHSA-N 0 1 379.884 3.367 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc4[nH]nnc4c3)C2)c1 ZINC000176717081 1428430949 /nfs/dbraw/zinc/43/09/49/1428430949.db2.gz BZHJOHFTSXPOHK-HNNXBMFYSA-N 0 1 377.448 3.066 20 0 GGADMN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN(C)C(C)C ZINC000070944717 1409804860 /nfs/dbraw/zinc/80/48/60/1409804860.db2.gz SQMIEGAGJDFMDN-UHFFFAOYSA-N 0 1 385.464 3.235 20 0 GGADMN Cc1cc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)nc(C(C)C)n1 ZINC000071007534 1409811353 /nfs/dbraw/zinc/81/13/53/1409811353.db2.gz JTGXVENOOIQKNQ-UHFFFAOYSA-N 0 1 376.508 3.416 20 0 GGADMN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccn(-c3ccncc3)n2)cc1 ZINC000071028815 1409814125 /nfs/dbraw/zinc/81/41/25/1409814125.db2.gz YMHAROIWWUSMOM-HNNXBMFYSA-N 0 1 395.488 3.275 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000071028075 1409814132 /nfs/dbraw/zinc/81/41/32/1409814132.db2.gz XQJFYVQBYCECCU-UHFFFAOYSA-N 0 1 388.406 3.333 20 0 GGADMN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2F)n1 ZINC000071039692 1409815041 /nfs/dbraw/zinc/81/50/41/1409815041.db2.gz MMGJFPFHFUFANN-UHFFFAOYSA-N 0 1 376.395 3.461 20 0 GGADMN O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000071038447 1409815069 /nfs/dbraw/zinc/81/50/69/1409815069.db2.gz XRDSIHSRAXJNBN-UHFFFAOYSA-N 0 1 395.507 3.461 20 0 GGADMN COCCc1ccc(OCCCC(=O)Nc2ccn(-c3ccncc3)n2)cc1 ZINC000071039792 1409815095 /nfs/dbraw/zinc/81/50/95/1409815095.db2.gz YODOOTOVEIJNRC-UHFFFAOYSA-N 0 1 380.448 3.254 20 0 GGADMN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071039239 1409815178 /nfs/dbraw/zinc/81/51/78/1409815178.db2.gz NDOGRAWMEJBURQ-UHFFFAOYSA-N 0 1 388.431 3.494 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071039988 1409815193 /nfs/dbraw/zinc/81/51/93/1409815193.db2.gz FVHRCAIVNKLHKB-UHFFFAOYSA-N 0 1 390.422 3.390 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000071039422 1409815205 /nfs/dbraw/zinc/81/52/05/1409815205.db2.gz LYUZUOCPAVRMOQ-UHFFFAOYSA-N 0 1 390.443 3.489 20 0 GGADMN O=C(CN(CCO)C1CCCCC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000071088633 1409820185 /nfs/dbraw/zinc/82/01/85/1409820185.db2.gz QKMULAYQAFYQHP-GOSISDBHSA-N 0 1 385.464 3.177 20 0 GGADMN CC(C)N(CC(=O)NCc1ccco1)C[C@@H](O)COc1cccc2ccccc21 ZINC000071080032 1409820371 /nfs/dbraw/zinc/82/03/71/1409820371.db2.gz XSLCGVHJDVFPCX-LJQANCHMSA-N 0 1 396.487 3.199 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000071815784 1409825582 /nfs/dbraw/zinc/82/55/82/1409825582.db2.gz VHXZQAMNHZCCNQ-UHFFFAOYSA-N 0 1 392.455 3.150 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c2cccs2)CC1 ZINC000071849009 1409827248 /nfs/dbraw/zinc/82/72/48/1409827248.db2.gz IOQVBWMHPNCZKJ-FGTMMUONSA-N 0 1 399.626 3.333 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccn(-c3ccccc3)n2)N(C)C)c1 ZINC000071901660 1409829539 /nfs/dbraw/zinc/82/95/39/1409829539.db2.gz BHAGITSCOQDQNJ-LJQANCHMSA-N 0 1 379.464 3.305 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cccc(N3CCCC3=O)c2)N(C)C)c1 ZINC000071901797 1409829571 /nfs/dbraw/zinc/82/95/71/1409829571.db2.gz HHZSSAPPWZUUMZ-FQEVSTJZSA-N 0 1 396.491 3.246 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(N3CCCC3=O)c2)N(C)C)c1 ZINC000071901798 1409829788 /nfs/dbraw/zinc/82/97/88/1409829788.db2.gz HHZSSAPPWZUUMZ-HXUWFJFHSA-N 0 1 396.491 3.246 20 0 GGADMN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cn1 ZINC000071923087 1409830349 /nfs/dbraw/zinc/83/03/49/1409830349.db2.gz HZGKIEQQSVFNHT-GOSISDBHSA-N 0 1 385.512 3.157 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(C(=O)NC(C)C)cc2)N(C)C)c1 ZINC000071943828 1409832432 /nfs/dbraw/zinc/83/24/32/1409832432.db2.gz IDKMTJDFETYWSC-HXUWFJFHSA-N 0 1 398.507 3.258 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c(C)c1 ZINC000071943833 1409832466 /nfs/dbraw/zinc/83/24/66/1409832466.db2.gz LMTATHHGMKPSSY-HXUWFJFHSA-N 0 1 398.507 3.178 20 0 GGADMN CN(CC1CC1)C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000071948110 1409832567 /nfs/dbraw/zinc/83/25/67/1409832567.db2.gz HOIZGCGKMANSBF-UHFFFAOYSA-N 0 1 377.532 3.262 20 0 GGADMN Cc1nnc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn12 ZINC000071964168 1409834171 /nfs/dbraw/zinc/83/41/71/1409834171.db2.gz DLWMPUSFYCAYGI-UHFFFAOYSA-N 0 1 384.487 3.344 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1OC ZINC000071977765 1409834438 /nfs/dbraw/zinc/83/44/38/1409834438.db2.gz HVFIVCYIPQLFGM-UHFFFAOYSA-N 0 1 387.461 3.058 20 0 GGADMN C[C@@H]1CN(CCCNc2ncc(C(=O)N3CCCCC3)cc2Cl)C[C@@H](C)O1 ZINC000072014008 1409837630 /nfs/dbraw/zinc/83/76/30/1409837630.db2.gz WALHQPJVBMCEMO-HZPDHXFCSA-N 0 1 394.947 3.272 20 0 GGADMN C[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000072026219 1409838653 /nfs/dbraw/zinc/83/86/53/1409838653.db2.gz ARDMTTHFXDKMDF-UGSOOPFHSA-N 0 1 395.425 3.473 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072037907 1409839860 /nfs/dbraw/zinc/83/98/60/1409839860.db2.gz WXEJVCYZIDNIHT-JKSUJKDBSA-N 0 1 393.503 3.067 20 0 GGADMN O=C(NCCCOc1ccc(F)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000072047867 1409841556 /nfs/dbraw/zinc/84/15/56/1409841556.db2.gz NKLOKCMXWRISST-GOSISDBHSA-N 0 1 375.444 3.324 20 0 GGADMN CC(C)(CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000072047999 1409841578 /nfs/dbraw/zinc/84/15/78/1409841578.db2.gz QSKRBSSUAXKJIQ-QGZVFWFLSA-N 0 1 399.491 3.422 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)n2)c(OC)c1 ZINC000072057767 1409842676 /nfs/dbraw/zinc/84/26/76/1409842676.db2.gz YPCGSZCRGVLCKS-JKSUJKDBSA-N 0 1 382.395 3.370 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n2)c(OC)c1 ZINC000072057768 1409842885 /nfs/dbraw/zinc/84/28/85/1409842885.db2.gz YPCGSZCRGVLCKS-HOTGVXAUSA-N 0 1 382.395 3.370 20 0 GGADMN CC(=O)N[C@@H](C(=O)Nc1ccc(CN2CCSCC2)cc1C)C1CCCC1 ZINC000072058260 1409843023 /nfs/dbraw/zinc/84/30/23/1409843023.db2.gz KURCWAAOGIQYJA-HXUWFJFHSA-N 0 1 389.565 3.177 20 0 GGADMN O=C(CNC(=O)CC1CCCC1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000072067233 1409844337 /nfs/dbraw/zinc/84/43/37/1409844337.db2.gz RFKLBRCIFAXUAJ-IBGZPJMESA-N 0 1 391.943 3.290 20 0 GGADMN O=C(CCc1ccccn1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000072069346 1409844773 /nfs/dbraw/zinc/84/47/73/1409844773.db2.gz VBXULQFVSLRTAJ-UHFFFAOYSA-N 0 1 380.492 3.467 20 0 GGADMN COc1cccc(CO[C@@H](C)C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000072072627 1409844978 /nfs/dbraw/zinc/84/49/78/1409844978.db2.gz PKDTWCPMGWFACG-FXAWDEMLSA-N 0 1 386.492 3.455 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)N2CCCC2)o1 ZINC000072072477 1409845177 /nfs/dbraw/zinc/84/51/77/1409845177.db2.gz FMIRAZMSAUWHDP-ZWKOTPCHSA-N 0 1 389.540 3.268 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)N2CCCC2)o1 ZINC000072072480 1409845198 /nfs/dbraw/zinc/84/51/98/1409845198.db2.gz FMIRAZMSAUWHDP-MSOLQXFVSA-N 0 1 389.540 3.268 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccccc3F)n2)N2CCCC2)o1 ZINC000072072661 1409845664 /nfs/dbraw/zinc/84/56/64/1409845664.db2.gz IXPDAVOBBBHAAG-LJQANCHMSA-N 0 1 382.439 3.480 20 0 GGADMN C[C@H](CNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)N1CCN(C)CC1 ZINC000072087756 1409847758 /nfs/dbraw/zinc/84/77/58/1409847758.db2.gz QGXCMKUVGLTYOB-NVXWUHKLSA-N 0 1 377.598 3.265 20 0 GGADMN CCC(CC)(CCO)CNC(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000072503460 1409849948 /nfs/dbraw/zinc/84/99/48/1409849948.db2.gz OJEOJGSKMRRDQS-UHFFFAOYSA-N 0 1 376.545 3.057 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CC1 ZINC000072569020 1409851154 /nfs/dbraw/zinc/85/11/54/1409851154.db2.gz MCKLEKGTFVHPIK-UHFFFAOYSA-N 0 1 375.513 3.376 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000072837731 1409854016 /nfs/dbraw/zinc/85/40/16/1409854016.db2.gz PMOFXJQVFBYEGS-MOPGFXCFSA-N 0 1 377.554 3.068 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000072837382 1409854092 /nfs/dbraw/zinc/85/40/92/1409854092.db2.gz YTZXHSNBIRHHSO-QZTJIDSGSA-N 0 1 375.538 3.123 20 0 GGADMN CC[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CCS1 ZINC000072862480 1409854422 /nfs/dbraw/zinc/85/44/22/1409854422.db2.gz IGJUXBZCBALMED-IAGOWNOFSA-N 0 1 378.538 3.195 20 0 GGADMN CNC(=O)c1cccc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000072961657 1409855926 /nfs/dbraw/zinc/85/59/26/1409855926.db2.gz IZGDSJQWJYRLQQ-KRWDZBQOSA-N 0 1 375.513 3.125 20 0 GGADMN CCOC[C@H]1CCCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000073040653 1409857212 /nfs/dbraw/zinc/85/72/12/1409857212.db2.gz CJZCILFQUWYFFN-SFHVURJKSA-N 0 1 377.504 3.248 20 0 GGADMN C[C@H](CC(=O)N1CCC(CCN2CCOCC2)CC1)Cc1cccc(F)c1 ZINC000073179168 1409858219 /nfs/dbraw/zinc/85/82/19/1409858219.db2.gz IRFLACSCACHVIH-SFHVURJKSA-N 0 1 376.516 3.355 20 0 GGADMN CO[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000073485095 1409860981 /nfs/dbraw/zinc/86/09/81/1409860981.db2.gz IGWMCVPPRDPDLJ-PKOBYXMFSA-N 0 1 375.444 3.243 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@H](OC)C(C)(C)C)N1CCCC1 ZINC000073490773 1409861329 /nfs/dbraw/zinc/86/13/29/1409861329.db2.gz KSUIBUQICSECTP-HKUYNNGSSA-N 0 1 377.529 3.192 20 0 GGADMN CO[C@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000073485101 1409861405 /nfs/dbraw/zinc/86/14/05/1409861405.db2.gz IGWMCVPPRDPDLJ-IEBWSBKVSA-N 0 1 375.444 3.243 20 0 GGADMN CO[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000073485098 1409861428 /nfs/dbraw/zinc/86/14/28/1409861428.db2.gz IGWMCVPPRDPDLJ-MJGOQNOKSA-N 0 1 375.444 3.243 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[C@H](SC)C1)N1CCCC1 ZINC000073490830 1409861463 /nfs/dbraw/zinc/86/14/63/1409861463.db2.gz GOJLIZZVXHURKJ-BQFCYCMXSA-N 0 1 377.554 3.415 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2C[C@@H](C)S[C@@H](C)C2)N2CCCC2)c1 ZINC000073498208 1409861502 /nfs/dbraw/zinc/86/15/02/1409861502.db2.gz BYHNQXRPDNKAHW-FCEWJHQRSA-N 0 1 377.554 3.368 20 0 GGADMN O=C(NC[C@H]1CCC[C@H](O)C1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000073541792 1409862061 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Cc1nc(COc2ccc(CN(C)Cc3ccc([S@@](C)=O)cc3)cc2)no1 ZINC000093713076 1410261263 /nfs/dbraw/zinc/26/12/63/1410261263.db2.gz WDRUUSFANQULGZ-MHZLTWQESA-N 0 1 385.489 3.326 20 0 GGADMN Cc1nsc(N2CCCN(Cc3ccc(Oc4cnccn4)cc3)CC2)n1 ZINC000093717157 1410262106 /nfs/dbraw/zinc/26/21/06/1410262106.db2.gz VCONQVFWXOXPSQ-UHFFFAOYSA-N 0 1 382.493 3.141 20 0 GGADMN Cn1nc2c(cc1=O)CN(Cc1cccc(OCc3ccc(F)cc3)c1)CC2 ZINC000093756756 1410263613 /nfs/dbraw/zinc/26/36/13/1410263613.db2.gz WXOURYULYBZECD-UHFFFAOYSA-N 0 1 379.435 3.057 20 0 GGADMN CC(C)n1ncc2cc(CN(C)CC(C)(C)CN3CCOCC3)c(Cl)nc21 ZINC000093769551 1410265210 /nfs/dbraw/zinc/26/52/10/1410265210.db2.gz SANWCFDDDJYEQF-UHFFFAOYSA-N 0 1 393.963 3.456 20 0 GGADMN COC(=O)c1cccc(CCNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000093789543 1410266269 /nfs/dbraw/zinc/26/62/69/1410266269.db2.gz UBYREYARPIECRQ-LJQANCHMSA-N 0 1 399.491 3.053 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000093793419 1410267731 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C[C@@H]1CN(C(=O)c2ccc(CNCc3cn(C)nc3C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000093961529 1410290432 /nfs/dbraw/zinc/29/04/32/1410290432.db2.gz BJTMUYHWDFNNOU-IAGOWNOFSA-N 0 1 398.551 3.257 20 0 GGADMN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000094014545 1410292132 /nfs/dbraw/zinc/29/21/32/1410292132.db2.gz UTDLQFPVATVNBT-FQEVSTJZSA-N 0 1 394.943 3.314 20 0 GGADMN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000094014546 1410292340 /nfs/dbraw/zinc/29/23/40/1410292340.db2.gz UTDLQFPVATVNBT-HXUWFJFHSA-N 0 1 394.943 3.314 20 0 GGADMN COc1cc(F)cc(CNC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000094032305 1410295108 /nfs/dbraw/zinc/29/51/08/1410295108.db2.gz QYAMYWVCFYJDRK-SFHVURJKSA-N 0 1 375.444 3.372 20 0 GGADMN CC[C@H](NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)N1CCOCC1 ZINC000176804877 1428471795 /nfs/dbraw/zinc/47/17/95/1428471795.db2.gz FPJYDUSAAFGGSE-HNNXBMFYSA-N 0 1 385.489 3.283 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000094077064 1410301870 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GGTUTLSOZQZBFO-LZBANZJXSA-N 0 1 384.568 3.134 20 0 GGADMN CC[C@H](CNC(=O)N1CCCC[C@H]1c1ncc[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000106530161 1411235184 /nfs/dbraw/zinc/23/51/84/1411235184.db2.gz QWIYDHTZHDZHGN-UXHICEINSA-N 0 1 381.524 3.483 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000106538355 1411238267 /nfs/dbraw/zinc/23/82/67/1411238267.db2.gz YALKOISNPOKVNL-REWPJTCUSA-N 0 1 394.563 3.296 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000106538358 1411238869 /nfs/dbraw/zinc/23/88/69/1411238869.db2.gz YALKOISNPOKVNL-NFBKMPQASA-N 0 1 394.563 3.296 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)NCC(C)(C)c3cccc(Cl)c3)C2)CC1 ZINC000106549166 1411242379 /nfs/dbraw/zinc/24/23/79/1411242379.db2.gz UFDHPRLMRFCAPX-LJQANCHMSA-N 0 1 392.975 3.039 20 0 GGADMN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000177003986 1428549749 /nfs/dbraw/zinc/54/97/49/1428549749.db2.gz OIPPKKFILYNBQS-UHFFFAOYSA-N 0 1 397.504 3.185 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000106555065 1411244488 /nfs/dbraw/zinc/24/44/88/1411244488.db2.gz NCIWKFJKNYTNRU-KRWDZBQOSA-N 0 1 394.991 3.333 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)C2)CC1 ZINC000106560438 1411247066 /nfs/dbraw/zinc/24/70/66/1411247066.db2.gz PXKWVKXLKFWVBQ-SFTDATJTSA-N 0 1 388.531 3.088 20 0 GGADMN Cc1cccc(Oc2ccccc2CNC(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000106567147 1411249773 /nfs/dbraw/zinc/24/97/73/1411249773.db2.gz KFGJFLDGFFSSEI-IBGZPJMESA-N 0 1 396.535 3.222 20 0 GGADMN COC(=O)C1CCC(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000106572517 1411250986 /nfs/dbraw/zinc/25/09/86/1411250986.db2.gz WMOWILJUIWLHHR-UHFFFAOYSA-N 0 1 387.524 3.024 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000106582128 1411254182 /nfs/dbraw/zinc/25/41/82/1411254182.db2.gz IRGGBYHCGCNXMP-OAHLLOKOSA-N 0 1 398.473 3.015 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccccc1SCC(F)(F)F ZINC000106580203 1411254899 /nfs/dbraw/zinc/25/48/99/1411254899.db2.gz BBMBXDHZAZRTOZ-CYBMUJFWSA-N 0 1 390.475 3.098 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000106581048 1411255051 /nfs/dbraw/zinc/25/50/51/1411255051.db2.gz NEPPUHGPDNHGNM-MRXNPFEDSA-N 0 1 386.471 3.375 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccccc1OCCc1ccccc1 ZINC000106581456 1411255328 /nfs/dbraw/zinc/25/53/28/1411255328.db2.gz JNBPAVCBTAMXPD-LJQANCHMSA-N 0 1 396.535 3.066 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000106581150 1411255555 /nfs/dbraw/zinc/25/55/55/1411255555.db2.gz FKONIBKWEQMYKJ-LJQANCHMSA-N 0 1 380.536 3.131 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000106581261 1411255662 /nfs/dbraw/zinc/25/56/62/1411255662.db2.gz HYEGQUGFXOONFK-OAQYLSRUSA-N 0 1 394.563 3.077 20 0 GGADMN Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000106583895 1411256191 /nfs/dbraw/zinc/25/61/91/1411256191.db2.gz QVAGQHVYYQDPKY-KRWDZBQOSA-N 0 1 397.567 3.001 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000106583312 1411256250 /nfs/dbraw/zinc/25/62/50/1411256250.db2.gz DANXOYIPEAFRLC-INIZCTEOSA-N 0 1 386.471 3.375 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000106582301 1411256447 /nfs/dbraw/zinc/25/64/47/1411256447.db2.gz ACAIHZYPEXFYRJ-XMSQKQJNSA-N 0 1 380.536 3.322 20 0 GGADMN CC[C@H]1CN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000106584670 1411256498 /nfs/dbraw/zinc/25/64/98/1411256498.db2.gz UMHQPLPNAJERDF-SFHVURJKSA-N 0 1 379.932 3.372 20 0 GGADMN COc1cccc(Oc2ccc(NC(=O)N[C@H](C)CN3CCN(C)CC3)cc2)c1 ZINC000106582766 1411256747 /nfs/dbraw/zinc/25/67/47/1411256747.db2.gz MBHKENVERHRENW-QGZVFWFLSA-N 0 1 398.507 3.245 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccccc1SC1CCCC1 ZINC000106583256 1411257075 /nfs/dbraw/zinc/25/70/75/1411257075.db2.gz RLYNMYUVCFZYSS-INIZCTEOSA-N 0 1 376.570 3.479 20 0 GGADMN COc1cccc(Oc2ccc(NC(=O)N[C@@H](C)CN3CCN(C)CC3)cc2)c1 ZINC000106582765 1411257397 /nfs/dbraw/zinc/25/73/97/1411257397.db2.gz MBHKENVERHRENW-KRWDZBQOSA-N 0 1 398.507 3.245 20 0 GGADMN Nc1ccc(F)c(NC(=O)CCN2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000177008066 1428551315 /nfs/dbraw/zinc/55/13/15/1428551315.db2.gz MKPCJPAKAHQUOW-UHFFFAOYSA-N 0 1 399.495 3.168 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(SC(=O)N(C)C)c1)CC2 ZINC000177007356 1428551331 /nfs/dbraw/zinc/55/13/31/1428551331.db2.gz YONWYLWFTWRRNH-MSOLQXFVSA-N 0 1 378.538 3.212 20 0 GGADMN CO[C@](C)(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccc1 ZINC000106645888 1411270796 /nfs/dbraw/zinc/27/07/96/1411270796.db2.gz ROABXEXTCHGOOH-SBUREZEXSA-N 0 1 399.510 3.317 20 0 GGADMN CC(=O)c1csc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000106645892 1411270975 /nfs/dbraw/zinc/27/09/75/1411270975.db2.gz LCXKXIVGRAOOFV-ZDUSSCGKSA-N 0 1 389.496 3.333 20 0 GGADMN CC(=O)c1csc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000106645894 1411271425 /nfs/dbraw/zinc/27/14/25/1411271425.db2.gz LCXKXIVGRAOOFV-CYBMUJFWSA-N 0 1 389.496 3.333 20 0 GGADMN Cc1cc(C)n2nc(C(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)nc2n1 ZINC000106685589 1411279167 /nfs/dbraw/zinc/27/91/67/1411279167.db2.gz YPDBBBKUCHMMOX-UHFFFAOYSA-N 0 1 393.476 3.171 20 0 GGADMN COCCCN(Cc1ccncc1)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000106693609 1411280201 /nfs/dbraw/zinc/28/02/01/1411280201.db2.gz RRIDMTDTMJVDMS-UHFFFAOYSA-N 0 1 399.560 3.309 20 0 GGADMN CC[C@@H](c1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1)c1ccccc1 ZINC000106719854 1411286221 /nfs/dbraw/zinc/28/62/21/1411286221.db2.gz JRAZWRIWNMMUIC-CQSZACIVSA-N 0 1 393.476 3.387 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C3(Cc4ccccc4)CC3)n2)c(OC)c1 ZINC000177009975 1428552523 /nfs/dbraw/zinc/55/25/23/1428552523.db2.gz JOVTVRHTNRLRHN-UHFFFAOYSA-N 0 1 378.432 3.450 20 0 GGADMN CO[C@@](C)(C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000106740418 1411291382 /nfs/dbraw/zinc/29/13/82/1411291382.db2.gz SDKFERDXXYXMMY-YDIMBITNSA-N 0 1 396.531 3.474 20 0 GGADMN COc1ccccc1C/C(C)=C/C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000106745587 1411292679 /nfs/dbraw/zinc/29/26/79/1411292679.db2.gz JIESOPJMHRAHED-FBMGVBCBSA-N 0 1 379.504 3.360 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000106783572 1411301034 /nfs/dbraw/zinc/30/10/34/1411301034.db2.gz SKGUKDSPBKMLRC-AWEZNQCLSA-N 0 1 396.882 3.288 20 0 GGADMN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000106786808 1411301254 /nfs/dbraw/zinc/30/12/54/1411301254.db2.gz RAJLRDSYELWTLM-KRWDZBQOSA-N 0 1 390.549 3.150 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@@H]1CCc2ccc(F)cc21 ZINC000106797276 1411302206 /nfs/dbraw/zinc/30/22/06/1411302206.db2.gz XEVJWLACGLTJPN-QGZVFWFLSA-N 0 1 383.448 3.018 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccccc3Cc3ccccc3)C2)CC1 ZINC000106799855 1411302656 /nfs/dbraw/zinc/30/26/56/1411302656.db2.gz XVFJZJANKQPOPX-QFIPXVFZSA-N 0 1 377.532 3.129 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)C2)CC1 ZINC000106800180 1411302807 /nfs/dbraw/zinc/30/28/07/1411302807.db2.gz JEGCHCAXLWPRFP-OAHLLOKOSA-N 0 1 387.471 3.151 20 0 GGADMN CCCCc1ccc(C(=O)CCC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)cc1 ZINC000106798616 1411302853 /nfs/dbraw/zinc/30/28/53/1411302853.db2.gz SFYMQPDAEQSGSB-JOCHJYFZSA-N 0 1 399.579 3.231 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccc(C4SCCS4)cc3)C2)CC1 ZINC000106799324 1411302961 /nfs/dbraw/zinc/30/29/61/1411302961.db2.gz IKYOAEFFLCGACJ-SFHVURJKSA-N 0 1 391.606 3.017 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)C[C@H](C)CC5)C2)CC1 ZINC000106803166 1411303365 /nfs/dbraw/zinc/30/33/65/1411303365.db2.gz WEOQQNXKZCBSLZ-MJGOQNOKSA-N 0 1 394.563 3.145 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3sc(-c4ccccc4)cc3OC)C2)CC1 ZINC000106802677 1411303661 /nfs/dbraw/zinc/30/36/61/1411303661.db2.gz HWVLIYOXNZHUHR-GOSISDBHSA-N 0 1 399.560 3.276 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000106801668 1411304073 /nfs/dbraw/zinc/30/40/73/1411304073.db2.gz DYCGRFRREMLDQN-AVRDEDQJSA-N 0 1 395.547 3.190 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cc4c(ccc5ccccc45)[nH]3)C2)CC1 ZINC000106805686 1411304231 /nfs/dbraw/zinc/30/42/31/1411304231.db2.gz IYIXPNFTJQYUTB-SFHVURJKSA-N 0 1 376.504 3.173 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000106805135 1411304277 /nfs/dbraw/zinc/30/42/77/1411304277.db2.gz IJZMVDWDJXQOBX-FQEVSTJZSA-N 0 1 381.520 3.118 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCSc3ccc(Cl)cc3)C2)CC1 ZINC000106806436 1411304599 /nfs/dbraw/zinc/30/45/99/1411304599.db2.gz XJXSHYZKJCUCGI-GOSISDBHSA-N 0 1 396.000 3.451 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3occc3CSc3ccccc3)C2)CC1 ZINC000106806431 1411304624 /nfs/dbraw/zinc/30/46/24/1411304624.db2.gz SOTBUMNEUKBMOK-LJQANCHMSA-N 0 1 399.560 3.424 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000106805767 1411304797 /nfs/dbraw/zinc/30/47/97/1411304797.db2.gz OWAQMLZNUKLTRU-OAQYLSRUSA-N 0 1 399.579 3.179 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc4c(ccc5ccccc45)[nH]3)C2)CC1 ZINC000106805684 1411304820 /nfs/dbraw/zinc/30/48/20/1411304820.db2.gz IYIXPNFTJQYUTB-GOSISDBHSA-N 0 1 376.504 3.173 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)C2)CC1 ZINC000106804130 1411304878 /nfs/dbraw/zinc/30/48/78/1411304878.db2.gz YZKAGEWFRXQNBR-INIZCTEOSA-N 0 1 375.900 3.247 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000106804655 1411304923 /nfs/dbraw/zinc/30/49/23/1411304923.db2.gz JOKOHBXOKOEEIC-BRWVUGGUSA-N 0 1 396.362 3.335 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)/C=C/c3ccc4ccc(Cl)cc4n3)C2)CC1 ZINC000106806869 1411305465 /nfs/dbraw/zinc/30/54/65/1411305465.db2.gz GGZHZFUJURIUBJ-DUIUGDAFSA-N 0 1 398.938 3.140 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000106820826 1411305990 /nfs/dbraw/zinc/30/59/90/1411305990.db2.gz LHJOOKDRDCEZIE-KRWDZBQOSA-N 0 1 377.960 3.294 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000106823456 1411306904 /nfs/dbraw/zinc/30/69/04/1411306904.db2.gz JWQWKDGVQHBGJN-AWEZNQCLSA-N 0 1 390.871 3.469 20 0 GGADMN NC(=O)c1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000106829670 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CCc1nc([C@@H](C)NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cs1 ZINC000111800766 1412031128 /nfs/dbraw/zinc/03/11/28/1412031128.db2.gz GALRZUWVXHDUCC-DYVFJYSZSA-N 0 1 376.526 3.377 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)CCc3ccc(O)cc3)n2)cc1 ZINC000111810175 1412031999 /nfs/dbraw/zinc/03/19/99/1412031999.db2.gz NXOFIEZNKJKFIV-AWEZNQCLSA-N 0 1 395.463 3.006 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](C)CCc3ccc(O)cc3)n[nH]2)cc1 ZINC000111810175 1412032003 /nfs/dbraw/zinc/03/20/03/1412032003.db2.gz NXOFIEZNKJKFIV-AWEZNQCLSA-N 0 1 395.463 3.006 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)n2)cc1 ZINC000111811251 1412032964 /nfs/dbraw/zinc/03/29/64/1412032964.db2.gz BEZHKJYNBSPVCZ-UONOGXRCSA-N 0 1 397.401 3.401 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)n[nH]2)cc1 ZINC000111811251 1412032970 /nfs/dbraw/zinc/03/29/70/1412032970.db2.gz BEZHKJYNBSPVCZ-UONOGXRCSA-N 0 1 397.401 3.401 20 0 GGADMN CCOCc1ccccc1CNC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000111816137 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COc1cc2[nH]c(CCCNC(=O)Cc3[nH]nc4ccccc43)cc2c(OC)c1 ZINC000177236250 1428644969 /nfs/dbraw/zinc/64/49/69/1428644969.db2.gz AHEJMJBYHMPNLW-UHFFFAOYSA-N 0 1 392.459 3.353 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000113983636 1412363523 /nfs/dbraw/zinc/36/35/23/1412363523.db2.gz FKCPHLWDEIBSOS-GOSISDBHSA-N 0 1 399.564 3.393 20 0 GGADMN CCOC[C@H]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000114017241 1412368431 /nfs/dbraw/zinc/36/84/31/1412368431.db2.gz VDIWYYXNZJPHHG-GHTZIAJQSA-N 0 1 389.540 3.290 20 0 GGADMN COc1cc(-c2noc(-c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)n2)ccn1 ZINC000114056448 1412378627 /nfs/dbraw/zinc/37/86/27/1412378627.db2.gz YZETVYXIJNIAMJ-GJZGRUSLSA-N 0 1 380.448 3.416 20 0 GGADMN CC(=O)N[C@@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCCC1 ZINC000114100734 1412379602 /nfs/dbraw/zinc/37/96/02/1412379602.db2.gz MLPMDWZTEIQXMI-LJQANCHMSA-N 0 1 377.448 3.258 20 0 GGADMN O=C(CCNC(=O)c1cccs1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000114100884 1412379702 /nfs/dbraw/zinc/37/97/02/1412379702.db2.gz HUXWUJWGDXRXFU-UHFFFAOYSA-N 0 1 391.456 3.445 20 0 GGADMN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3nc(-c4ccccn4)[nH]c3c1)CS2 ZINC000114100772 1412379760 /nfs/dbraw/zinc/37/97/60/1412379760.db2.gz KJDISNBLPPAUNC-JXFKEZNVSA-N 0 1 393.472 3.017 20 0 GGADMN CS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000114100857 1412379974 /nfs/dbraw/zinc/37/99/74/1412379974.db2.gz MGHDXKKMVKYCNL-UHFFFAOYSA-N 0 1 392.440 3.281 20 0 GGADMN CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000114126463 1412382025 /nfs/dbraw/zinc/38/20/25/1412382025.db2.gz ISMXLJRLBWUSEW-SFHVURJKSA-N 0 1 377.448 3.355 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2-n2ccnc2)N(C)C)c1 ZINC000114162526 1412385398 /nfs/dbraw/zinc/38/53/98/1412385398.db2.gz BFSLJWRMLINYSL-OAQYLSRUSA-N 0 1 378.476 3.222 20 0 GGADMN Cc1ccc(NC(=O)N(C)C)c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000114162493 1412385433 /nfs/dbraw/zinc/38/54/33/1412385433.db2.gz RLZQXJNMXARZSM-LJQANCHMSA-N 0 1 386.471 3.260 20 0 GGADMN CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000114174711 1412387828 /nfs/dbraw/zinc/38/78/28/1412387828.db2.gz UFDNVQWBBHOFCX-GJZGRUSLSA-N 0 1 398.544 3.106 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC2(O)CCCCC2)CC1 ZINC000114178596 1412388227 /nfs/dbraw/zinc/38/82/27/1412388227.db2.gz YMAXJIZUMKXGLM-KRWDZBQOSA-N 0 1 391.531 3.230 20 0 GGADMN CCc1cc2c(C[N@H+](C)C[C@H](O)COCc3ccccc3)cc(=O)oc2cc1[O-] ZINC000114189106 1412390935 /nfs/dbraw/zinc/39/09/35/1412390935.db2.gz HIYJLOWYHUTNEL-IBGZPJMESA-N 0 1 397.471 3.071 20 0 GGADMN CCc1cc2c(C[N@@H+](C)C[C@H](O)COCc3ccccc3)cc(=O)oc2cc1[O-] ZINC000114189106 1412390940 /nfs/dbraw/zinc/39/09/40/1412390940.db2.gz HIYJLOWYHUTNEL-IBGZPJMESA-N 0 1 397.471 3.071 20 0 GGADMN O=C(CN(CCO)[C@H]1CCCc2ccccc21)Nc1ccnn1C1CCCC1 ZINC000114193088 1412391486 /nfs/dbraw/zinc/39/14/86/1412391486.db2.gz MSDISZUBHZUNGG-FQEVSTJZSA-N 0 1 382.508 3.309 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(CCO)[C@H]2CCCc3ccccc32)c1 ZINC000114193295 1412391508 /nfs/dbraw/zinc/39/15/08/1412391508.db2.gz AUVRQPSCNYUJDJ-FQEVSTJZSA-N 0 1 384.476 3.014 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN(CCCO)[C@H]2CCc3ccccc32)c1C ZINC000114193463 1412391578 /nfs/dbraw/zinc/39/15/78/1412391578.db2.gz XBFKOEWMUSPIIS-NRFANRHFSA-N 0 1 395.503 3.323 20 0 GGADMN O=C(CN(CCO)[C@@H]1CCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000114193207 1412392096 /nfs/dbraw/zinc/39/20/96/1412392096.db2.gz WFBLGGRTCWFGFP-HXUWFJFHSA-N 0 1 396.487 3.158 20 0 GGADMN O=C(CN(CCO)[C@@H]1CCCc2ccccc21)Nc1ccnn1C1CCCC1 ZINC000114193090 1412392114 /nfs/dbraw/zinc/39/21/14/1412392114.db2.gz MSDISZUBHZUNGG-HXUWFJFHSA-N 0 1 382.508 3.309 20 0 GGADMN O=C(CN(CCO)[C@H]1CCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000114193204 1412392190 /nfs/dbraw/zinc/39/21/90/1412392190.db2.gz WFBLGGRTCWFGFP-FQEVSTJZSA-N 0 1 396.487 3.158 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000114195804 1412393016 /nfs/dbraw/zinc/39/30/16/1412393016.db2.gz BHCNFTLZJYGWAR-HOTGVXAUSA-N 0 1 397.523 3.173 20 0 GGADMN O=C(CN(CCCO)[C@H]1CCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000114193948 1412393060 /nfs/dbraw/zinc/39/30/60/1412393060.db2.gz RLQFGKYHMXOUSK-FQEVSTJZSA-N 0 1 396.487 3.158 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000114193821 1412393113 /nfs/dbraw/zinc/39/31/13/1412393113.db2.gz DZVNMPOTKHPCGU-NRFANRHFSA-N 0 1 396.487 3.092 20 0 GGADMN CCn1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000114228234 1412395286 /nfs/dbraw/zinc/39/52/86/1412395286.db2.gz RDBUYOBQBLTTJY-UHFFFAOYSA-N 0 1 380.414 3.270 20 0 GGADMN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000114240558 1412396499 /nfs/dbraw/zinc/39/64/99/1412396499.db2.gz YIMCAFLEPXHHFO-QGZVFWFLSA-N 0 1 395.569 3.227 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)N1CCCCCC1 ZINC000114245342 1412396989 /nfs/dbraw/zinc/39/69/89/1412396989.db2.gz SZCZQOOLPHBKTI-FGTMMUONSA-N 0 1 387.524 3.139 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCC(NC(C)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000114254445 1412397804 /nfs/dbraw/zinc/39/78/04/1412397804.db2.gz KRMLRFXTCLXLOH-SFHVURJKSA-N 0 1 399.457 3.215 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3sc(C)cc3OC(F)F)CC2)c1 ZINC000114266815 1412398833 /nfs/dbraw/zinc/39/88/33/1412398833.db2.gz HXIRFEREDDXDBL-UHFFFAOYSA-N 0 1 383.420 3.024 20 0 GGADMN CC(C)C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)C(=O)OC(C)C ZINC000114302267 1412407111 /nfs/dbraw/zinc/40/71/11/1412407111.db2.gz JXZRDHKIJHCOMX-IBGZPJMESA-N 0 1 392.565 3.332 20 0 GGADMN Cc1noc(COc2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc2)n1 ZINC000114313478 1412411877 /nfs/dbraw/zinc/41/18/77/1412411877.db2.gz FUPIQDPDXVRSGE-UHFFFAOYSA-N 0 1 377.397 3.205 20 0 GGADMN Cc1ccc(OCc2cccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c2)cn1 ZINC000114315890 1412412473 /nfs/dbraw/zinc/41/24/73/1412412473.db2.gz JRSLZNVKEGUQEN-RTBURBONSA-N 0 1 397.519 3.198 20 0 GGADMN CCn1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cn1 ZINC000114317764 1412412778 /nfs/dbraw/zinc/41/27/78/1412412778.db2.gz XZPXRJSZQCFPKB-UHFFFAOYSA-N 0 1 384.461 3.265 20 0 GGADMN Cc1ccc(OCc2cccc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)c2)cn1 ZINC000114319840 1412413407 /nfs/dbraw/zinc/41/34/07/1412413407.db2.gz OHVBUQPKUPZYCL-UHFFFAOYSA-N 0 1 386.415 3.401 20 0 GGADMN CC(=O)Nc1nc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cs1 ZINC000114340629 1412416253 /nfs/dbraw/zinc/41/62/53/1412416253.db2.gz LMGPSCVOGPENGG-UHFFFAOYSA-N 0 1 378.417 3.292 20 0 GGADMN CCCC1N=NC(=S)N1CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000114340799 1412416531 /nfs/dbraw/zinc/41/65/31/1412416531.db2.gz LZJCZYLBHZBWQY-UHFFFAOYSA-N 0 1 393.476 3.096 20 0 GGADMN Cc1sc(=O)n(CC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1C ZINC000114340790 1412416633 /nfs/dbraw/zinc/41/66/33/1412416633.db2.gz GUQAWLCASSWXFG-UHFFFAOYSA-N 0 1 379.445 3.104 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000114378150 1412422173 /nfs/dbraw/zinc/42/21/73/1412422173.db2.gz PXMXPUGUHILVHW-QGZVFWFLSA-N 0 1 389.569 3.399 20 0 GGADMN C[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)N1CCN(C)CC1 ZINC000114385495 1412425213 /nfs/dbraw/zinc/42/52/13/1412425213.db2.gz SLYHHZLTXGEZIE-KRWDZBQOSA-N 0 1 377.960 3.294 20 0 GGADMN C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)N1CCN(C)CC1 ZINC000114385498 1412425324 /nfs/dbraw/zinc/42/53/24/1412425324.db2.gz SLYHHZLTXGEZIE-QGZVFWFLSA-N 0 1 377.960 3.294 20 0 GGADMN O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(CN2CCSCC2)cc1 ZINC000114394817 1412426470 /nfs/dbraw/zinc/42/64/70/1412426470.db2.gz PSDDASLIBORYHK-UHFFFAOYSA-N 0 1 379.489 3.273 20 0 GGADMN CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCc2ccccc2C1 ZINC000114417733 1412429822 /nfs/dbraw/zinc/42/98/22/1412429822.db2.gz OZQUMHIKRKMQRS-QGZVFWFLSA-N 0 1 393.512 3.091 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN(C)[C@H](C)C3(C)CC3)nc2c1 ZINC000177247778 1428650768 /nfs/dbraw/zinc/65/07/68/1428650768.db2.gz XFXLPRJCHPXJDK-CQSZACIVSA-N 0 1 378.542 3.214 20 0 GGADMN CN(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000114425159 1412431575 /nfs/dbraw/zinc/43/15/75/1412431575.db2.gz ZYVLMUAQGIWACA-QGZVFWFLSA-N 0 1 392.425 3.171 20 0 GGADMN COCc1nc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000114424859 1412431857 /nfs/dbraw/zinc/43/18/57/1412431857.db2.gz SQLGFFRWNGOJEZ-AWEZNQCLSA-N 0 1 399.438 3.313 20 0 GGADMN O=C(CCc1ccccn1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425019 1412432021 /nfs/dbraw/zinc/43/20/21/1412432021.db2.gz MVVRBJZMQWHWIU-GOSISDBHSA-N 0 1 377.410 3.424 20 0 GGADMN CN(C)C(=O)C(C)(C)NCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000114458623 1412436638 /nfs/dbraw/zinc/43/66/38/1412436638.db2.gz KMVSGVKHDJZZSF-IBGZPJMESA-N 0 1 387.911 3.002 20 0 GGADMN COc1ccc(NC(=O)CN(CCCO)[C@H]2CCc3ccccc32)c(OC)c1 ZINC000114469288 1412439514 /nfs/dbraw/zinc/43/95/14/1412439514.db2.gz QQFNZFJBTBFDAZ-FQEVSTJZSA-N 0 1 384.476 3.014 20 0 GGADMN O=C(CN(CCO)[C@H]1CCc2ccccc21)N(Cc1ccco1)CC(F)(F)F ZINC000114467279 1412439647 /nfs/dbraw/zinc/43/96/47/1412439647.db2.gz TXXXGOXVKPOBFH-SFHVURJKSA-N 0 1 396.409 3.152 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467238 1412439939 /nfs/dbraw/zinc/43/99/39/1412439939.db2.gz LBNBTNDSMJXAJO-QFIPXVFZSA-N 0 1 382.504 3.072 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000114468835 1412440079 /nfs/dbraw/zinc/44/00/79/1412440079.db2.gz YVSXFFGCIMQLBZ-LAUBAEHRSA-N 0 1 382.504 3.244 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000114468471 1412440138 /nfs/dbraw/zinc/44/01/38/1412440138.db2.gz WHEMDJODGNYNHZ-HSZRJFAPSA-N 0 1 396.531 3.211 20 0 GGADMN COCCCNC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472462 1412440625 /nfs/dbraw/zinc/44/06/25/1412440625.db2.gz DBWPAPIDGIADTN-ZWKOTPCHSA-N 0 1 386.540 3.338 20 0 GGADMN Cc1ccc(CN(C(=O)CN(CCCO)[C@@H]2CCc3ccccc32)C2CC2)o1 ZINC000114469597 1412440840 /nfs/dbraw/zinc/44/08/40/1412440840.db2.gz LTFDZYYBNGQNFM-JOCHJYFZSA-N 0 1 382.504 3.451 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)NC2CCOCC2)C1 ZINC000114473091 1412441110 /nfs/dbraw/zinc/44/11/10/1412441110.db2.gz LIHPMNSFISYZBA-QGZVFWFLSA-N 0 1 384.524 3.092 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000114473018 1412441318 /nfs/dbraw/zinc/44/13/18/1412441318.db2.gz XCFVLYNKNPGDSM-QRVBRYPASA-N 0 1 398.551 3.432 20 0 GGADMN CN(CC(=O)Nc1ccccc1N1CCCC1=O)[C@H]1CCc2ccccc2C1 ZINC000114488998 1412442653 /nfs/dbraw/zinc/44/26/53/1412442653.db2.gz WFGFDILBORZZSE-IBGZPJMESA-N 0 1 377.488 3.241 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)CN(C)[C@H]2CCc3ccccc3C2)c(C)c1 ZINC000114488838 1412443043 /nfs/dbraw/zinc/44/30/43/1412443043.db2.gz ZDACIHOSTGNBBJ-NRFANRHFSA-N 0 1 393.531 3.156 20 0 GGADMN CC[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000114492563 1412445330 /nfs/dbraw/zinc/44/53/30/1412445330.db2.gz ZXUKTOPXXRTRSA-QFIPXVFZSA-N 0 1 379.504 3.471 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1O ZINC000114507809 1412448498 /nfs/dbraw/zinc/44/84/98/1412448498.db2.gz VCJLPVOPVMLACJ-OAHLLOKOSA-N 0 1 396.365 3.195 20 0 GGADMN CCOc1cc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1OC ZINC000114514681 1412448950 /nfs/dbraw/zinc/44/89/50/1412448950.db2.gz VLSBDDRAUAMTLL-KRWDZBQOSA-N 0 1 387.480 3.323 20 0 GGADMN O=C(NCCc1ccco1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114514756 1412449164 /nfs/dbraw/zinc/44/91/64/1412449164.db2.gz MBGCTBPRODOPHD-MRXNPFEDSA-N 0 1 381.398 3.415 20 0 GGADMN CCOc1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1OC ZINC000114514683 1412449311 /nfs/dbraw/zinc/44/93/11/1412449311.db2.gz VLSBDDRAUAMTLL-QGZVFWFLSA-N 0 1 387.480 3.323 20 0 GGADMN O=C(NCCc1nccs1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114524446 1412452704 /nfs/dbraw/zinc/45/27/04/1412452704.db2.gz GAKBAKCASSHDIO-OAHLLOKOSA-N 0 1 398.454 3.278 20 0 GGADMN CCOc1cc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)ccc1OC ZINC000114531725 1412454240 /nfs/dbraw/zinc/45/42/40/1412454240.db2.gz WYSXBOHSCTVDFM-HNNXBMFYSA-N 0 1 377.510 3.258 20 0 GGADMN O=C(NC[C@H]1CCCCN1Cc1ccc(-n2ccnc2)nc1)Nc1ccccc1 ZINC000177251333 1428652360 /nfs/dbraw/zinc/65/23/60/1428652360.db2.gz RZZZFHCDSWGLOM-HXUWFJFHSA-N 0 1 390.491 3.444 20 0 GGADMN Cc1ccc2cccc(NC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2n1 ZINC000114578368 1412465261 /nfs/dbraw/zinc/46/52/61/1412465261.db2.gz SSECTXBPBCSMSD-HXUWFJFHSA-N 0 1 390.487 3.084 20 0 GGADMN CCOc1cc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1OC ZINC000114583326 1412466312 /nfs/dbraw/zinc/46/63/12/1412466312.db2.gz DMUWTXQBFHEFKC-SFHVURJKSA-N 0 1 389.471 3.335 20 0 GGADMN CCOc1cc(CNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1OC ZINC000114583328 1412466668 /nfs/dbraw/zinc/46/66/68/1412466668.db2.gz DMUWTXQBFHEFKC-GOSISDBHSA-N 0 1 389.471 3.335 20 0 GGADMN CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000114586552 1412468270 /nfs/dbraw/zinc/46/82/70/1412468270.db2.gz RWKDMCWUOZVTSZ-OAQYLSRUSA-N 0 1 393.535 3.052 20 0 GGADMN CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000114586555 1412468334 /nfs/dbraw/zinc/46/83/34/1412468334.db2.gz RWKDMCWUOZVTSZ-NRFANRHFSA-N 0 1 393.535 3.052 20 0 GGADMN O=C(NC[C@@H]1CCCCO1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114591907 1412469525 /nfs/dbraw/zinc/46/95/25/1412469525.db2.gz GRLARCPODUTCBD-SJORKVTESA-N 0 1 385.430 3.148 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@@](C)(O)c1ccc(F)cc1F)c1ccco1 ZINC000114592428 1412469736 /nfs/dbraw/zinc/46/97/36/1412469736.db2.gz QKIGCKBZIHUXLR-FXAWDEMLSA-N 0 1 395.450 3.148 20 0 GGADMN COCC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114604200 1412473105 /nfs/dbraw/zinc/47/31/05/1412473105.db2.gz HPFSLTTYSDNSCC-GOSISDBHSA-N 0 1 399.457 3.348 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114643093 1412484486 /nfs/dbraw/zinc/48/44/86/1412484486.db2.gz ZLZZHHBKQQSVMA-KRWDZBQOSA-N 0 1 393.516 3.303 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114643095 1412484892 /nfs/dbraw/zinc/48/48/92/1412484892.db2.gz ZLZZHHBKQQSVMA-QGZVFWFLSA-N 0 1 393.516 3.303 20 0 GGADMN C[C@@H](C(=O)NCCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000114721224 1412511073 /nfs/dbraw/zinc/51/10/73/1412511073.db2.gz VXSFPKIETRXALG-KRWDZBQOSA-N 0 1 376.504 3.490 20 0 GGADMN COc1ccc(CN(C)C(=O)CN(CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000114722781 1412511914 /nfs/dbraw/zinc/51/19/14/1412511914.db2.gz AEKFSDQWMOJGKA-QFIPXVFZSA-N 0 1 382.504 3.026 20 0 GGADMN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)CC(C)(C)O ZINC000114727818 1412513062 /nfs/dbraw/zinc/51/30/62/1412513062.db2.gz KCRYXTKNIVQSHJ-UHFFFAOYSA-N 0 1 387.446 3.337 20 0 GGADMN COc1ccccc1CN(CCc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000114725911 1412513346 /nfs/dbraw/zinc/51/33/46/1412513346.db2.gz PKYDJEDFUROLMW-SFHVURJKSA-N 0 1 393.487 3.155 20 0 GGADMN COC(=O)CCN(Cc1cccc(C(=O)Nc2ccccc2)c1)C[C@@H]1CCCO1 ZINC000114730434 1412514021 /nfs/dbraw/zinc/51/40/21/1412514021.db2.gz QDQSVJOJSQQDKP-NRFANRHFSA-N 0 1 396.487 3.483 20 0 GGADMN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000114749078 1412518233 /nfs/dbraw/zinc/51/82/33/1412518233.db2.gz ZXRVXBCUZVPPSV-KDOFPFPSSA-N 0 1 393.409 3.474 20 0 GGADMN COc1ccc(CNCc2cccc(CS(C)(=O)=O)c2)c(OC(F)F)c1 ZINC000114765798 1412520827 /nfs/dbraw/zinc/52/08/27/1412520827.db2.gz NUGMYSCGRBGGIT-UHFFFAOYSA-N 0 1 385.432 3.131 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177263907 1428660304 /nfs/dbraw/zinc/66/03/04/1428660304.db2.gz IVJXYJLYOGXZTQ-KXBFYZLASA-N 0 1 395.494 3.416 20 0 GGADMN Cc1oc(C(N)=O)cc1-c1csc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000114800400 1412528434 /nfs/dbraw/zinc/52/84/34/1412528434.db2.gz RLMTXLWQOLLFSX-OUAUKWLOSA-N 0 1 376.482 3.010 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCN(C(C)C)C1=O)c1ccccc1Cl ZINC000114819473 1412533076 /nfs/dbraw/zinc/53/30/76/1412533076.db2.gz KHGIIOWAVOMCQK-MSOLQXFVSA-N 0 1 394.947 3.031 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1ccco1 ZINC000114826593 1412534424 /nfs/dbraw/zinc/53/44/24/1412534424.db2.gz PDSGOUPDQBDFLY-UYAOXDASSA-N 0 1 399.539 3.146 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1ccco1 ZINC000114826588 1412534670 /nfs/dbraw/zinc/53/46/70/1412534670.db2.gz PDSGOUPDQBDFLY-ICSRJNTNSA-N 0 1 399.539 3.146 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(C)c1 ZINC000114842938 1412538397 /nfs/dbraw/zinc/53/83/97/1412538397.db2.gz YYRPGWXDUNJORR-IBGZPJMESA-N 0 1 395.503 3.113 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000114843221 1412538766 /nfs/dbraw/zinc/53/87/66/1412538766.db2.gz REDCZCGVJASQDD-FQEVSTJZSA-N 0 1 397.544 3.269 20 0 GGADMN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F ZINC000114843189 1412538885 /nfs/dbraw/zinc/53/88/85/1412538885.db2.gz OFPKGBNNPKJDBL-MRXNPFEDSA-N 0 1 389.858 3.198 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1F ZINC000114843177 1412538995 /nfs/dbraw/zinc/53/89/95/1412538995.db2.gz PXUWLTLVFQPHLJ-INIZCTEOSA-N 0 1 389.858 3.198 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccc(F)cc1Cl ZINC000114843030 1412539193 /nfs/dbraw/zinc/53/91/93/1412539193.db2.gz OPXVZZWBNYJQQA-INIZCTEOSA-N 0 1 389.858 3.198 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2)c1 ZINC000114930634 1412550854 /nfs/dbraw/zinc/55/08/54/1412550854.db2.gz GYTZTBVUUZLFJW-JOCHJYFZSA-N 0 1 395.551 3.382 20 0 GGADMN CC[C@H](C)[C@@H](O)CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000114961881 1412557096 /nfs/dbraw/zinc/55/70/96/1412557096.db2.gz FIEFZUYGGFMMKH-KXBFYZLASA-N 0 1 381.948 3.258 20 0 GGADMN CCNc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000115124995 1412592183 /nfs/dbraw/zinc/59/21/83/1412592183.db2.gz DEPQDCLFASXBBD-UHFFFAOYSA-N 0 1 383.452 3.031 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000177267616 1428662415 /nfs/dbraw/zinc/66/24/15/1428662415.db2.gz XLWQMUJPXUORKU-UHFFFAOYSA-N 0 1 384.446 3.420 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177267306 1428662659 /nfs/dbraw/zinc/66/26/59/1428662659.db2.gz HBXDPXLJKQHLJE-KXBFYZLASA-N 0 1 381.467 3.026 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)CCc1ccc2ccccc2c1 ZINC000115154145 1412599015 /nfs/dbraw/zinc/59/90/15/1412599015.db2.gz NXXDTJYLSICZFT-UHFFFAOYSA-N 0 1 392.503 3.059 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)N1CCCCCC1 ZINC000115231758 1412614631 /nfs/dbraw/zinc/61/46/31/1412614631.db2.gz LSQHJOPIEUENTP-CQSZACIVSA-N 0 1 381.904 3.010 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115255692 1412622422 /nfs/dbraw/zinc/62/24/22/1412622422.db2.gz NSYVRDGEUPPCTR-UHFFFAOYSA-N 0 1 387.553 3.189 20 0 GGADMN CCC[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177271225 1428664663 /nfs/dbraw/zinc/66/46/63/1428664663.db2.gz HTDFLBHEBHLJIK-BEFAXECRSA-N 0 1 381.467 3.170 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000115322017 1412647166 /nfs/dbraw/zinc/64/71/66/1412647166.db2.gz UYUUOMJNTFOING-SFHVURJKSA-N 0 1 395.532 3.419 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000115326622 1412648941 /nfs/dbraw/zinc/64/89/41/1412648941.db2.gz DTAJEQFBGUZXPG-HSZRJFAPSA-N 0 1 394.515 3.434 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1sc(-c2cnn(C)c2)nc1C)c1ccco1 ZINC000115347713 1412655160 /nfs/dbraw/zinc/65/51/60/1412655160.db2.gz OZBBZIZWZUMMNC-OAHLLOKOSA-N 0 1 387.509 3.258 20 0 GGADMN COc1ccc(C=O)c(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000115350851 1412656769 /nfs/dbraw/zinc/65/67/69/1412656769.db2.gz XPUYKRTZRUDZFH-OAQYLSRUSA-N 0 1 396.487 3.148 20 0 GGADMN Cc1nn(C)cc1CCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000115351408 1412656934 /nfs/dbraw/zinc/65/69/34/1412656934.db2.gz RMJKAPGIABYBNG-UHFFFAOYSA-N 0 1 398.488 3.101 20 0 GGADMN O=C(CCCCCNC(=O)NC1CCCCC1)Nc1nc(-c2ccco2)n[nH]1 ZINC000115361199 1412659279 /nfs/dbraw/zinc/65/92/79/1412659279.db2.gz ZOUQFHZSTGEWPO-UHFFFAOYSA-N 0 1 388.472 3.196 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(Oc4ccncc4)c3)C2)CC1 ZINC000115373597 1412660779 /nfs/dbraw/zinc/66/07/79/1412660779.db2.gz LAJHFASCKOSVQX-HXUWFJFHSA-N 0 1 394.519 3.034 20 0 GGADMN Cc1nn(C)cc1CCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000115374009 1412661069 /nfs/dbraw/zinc/66/10/69/1412661069.db2.gz KXBMWOUIZLXHKG-UHFFFAOYSA-N 0 1 388.943 3.343 20 0 GGADMN c1cn(-c2ccc(CN3CCC(c4nc(-c5ccccn5)no4)CC3)cn2)cn1 ZINC000177274811 1428666976 /nfs/dbraw/zinc/66/69/76/1428666976.db2.gz YUHGSWJMBMWOIX-UHFFFAOYSA-N 0 1 387.447 3.092 20 0 GGADMN C[C@@H](CNC(=O)c1cccnc1SCC1CCCCC1)N1CCN(C)CC1 ZINC000115384457 1412664088 /nfs/dbraw/zinc/66/40/88/1412664088.db2.gz WFMDULQPTWNRAV-KRWDZBQOSA-N 0 1 390.597 3.120 20 0 GGADMN Cc1nn(C)cc1CCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000115386930 1412665082 /nfs/dbraw/zinc/66/50/82/1412665082.db2.gz HRSSKMJGCRKKAB-SFHVURJKSA-N 0 1 394.441 3.071 20 0 GGADMN C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(F)c(CN(C)C)c2)CC1=O ZINC000115415894 1412671290 /nfs/dbraw/zinc/67/12/90/1412671290.db2.gz ISRMZBSKMCGGQJ-OXJNMPFZSA-N 0 1 397.494 3.113 20 0 GGADMN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(F)c(CN(C)C)c2)CC1=O ZINC000115415900 1412671310 /nfs/dbraw/zinc/67/13/10/1412671310.db2.gz ISRMZBSKMCGGQJ-JXFKEZNVSA-N 0 1 397.494 3.113 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000115454846 1412681635 /nfs/dbraw/zinc/68/16/35/1412681635.db2.gz GYDGRFKVWOQIOY-BBRMVZONSA-N 0 1 379.485 3.240 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCSC[C@H]3c3ccccc3)cc2[nH]c1=S ZINC000115474808 1412685464 /nfs/dbraw/zinc/68/54/64/1412685464.db2.gz RXZNFEXHOCDVQK-KRWDZBQOSA-N 0 1 397.525 3.153 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000115478527 1412686348 /nfs/dbraw/zinc/68/63/48/1412686348.db2.gz YUJJTRAUGRIYTN-INIZCTEOSA-N 0 1 399.466 3.089 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000115478591 1412686743 /nfs/dbraw/zinc/68/67/43/1412686743.db2.gz WORGVXLGDUQFDU-IBGZPJMESA-N 0 1 383.511 3.347 20 0 GGADMN CC(C)Cc1nnc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)s1 ZINC000115545224 1412705745 /nfs/dbraw/zinc/70/57/45/1412705745.db2.gz HKQQFUZJQJEUEA-UHFFFAOYSA-N 0 1 385.449 3.150 20 0 GGADMN CC1CCN(C(=O)C2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)CC1 ZINC000115545244 1412705868 /nfs/dbraw/zinc/70/58/68/1412705868.db2.gz DKICBPQYMWLVOX-NRFANRHFSA-N 0 1 383.536 3.153 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000115552964 1412706726 /nfs/dbraw/zinc/70/67/26/1412706726.db2.gz QTSXKKRLAXKHGI-WMZHIEFXSA-N 0 1 388.515 3.426 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000115552959 1412707893 /nfs/dbraw/zinc/70/78/93/1412707893.db2.gz QTSXKKRLAXKHGI-XXBNENTESA-N 0 1 388.515 3.426 20 0 GGADMN CCn1c2nnc(CN3C[C@H](c4ccccc4)C[C@@H]3C)n2c2ccccc2c1=O ZINC000115554193 1412709162 /nfs/dbraw/zinc/70/91/62/1412709162.db2.gz XWHXCBWFNWNUPI-FUHWJXTLSA-N 0 1 387.487 3.442 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1C[C@@H](c3ccccc3)C[C@@H]1C)[nH]c2=O ZINC000115556294 1412710377 /nfs/dbraw/zinc/71/03/77/1412710377.db2.gz ALCCPEGLQTVAHA-YOEHRIQHSA-N 0 1 377.444 3.088 20 0 GGADMN COCCCN(CCc1ccc(OC)cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000115558693 1412710848 /nfs/dbraw/zinc/71/08/48/1412710848.db2.gz IOAMSBOAKNVKAN-UHFFFAOYSA-N 0 1 387.505 3.074 20 0 GGADMN CCOC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000115557961 1412711333 /nfs/dbraw/zinc/71/13/33/1412711333.db2.gz PPBYFUNOASGSPC-IBGZPJMESA-N 0 1 385.464 3.296 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000115561488 1412712128 /nfs/dbraw/zinc/71/21/28/1412712128.db2.gz PDGLTIYRZBMFNL-UHFFFAOYSA-N 0 1 383.467 3.378 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000115595993 1412723568 /nfs/dbraw/zinc/72/35/68/1412723568.db2.gz YJQXGJYPKNLUKE-LIRRHRJNSA-N 0 1 390.480 3.075 20 0 GGADMN CC(C)[C@H](CN[C@@H](C(=O)NC1CC1)c1ccccc1)NC(=O)OC(C)(C)C ZINC000115602394 1412728222 /nfs/dbraw/zinc/72/82/22/1412728222.db2.gz JNMHGLLOCVTCES-ZWKOTPCHSA-N 0 1 375.513 3.145 20 0 GGADMN CCN(C(C)=O)c1nc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)cs1 ZINC000115613885 1412735905 /nfs/dbraw/zinc/73/59/05/1412735905.db2.gz VRCAQOIJHGFMNI-HNNXBMFYSA-N 0 1 376.501 3.271 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@H]1CCCN(c2ccccc2)C1 ZINC000115642420 1412741279 /nfs/dbraw/zinc/74/12/79/1412741279.db2.gz HIWYOXPTEVCJDS-ICSRJNTNSA-N 0 1 382.508 3.385 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000115642422 1412742186 /nfs/dbraw/zinc/74/21/86/1412742186.db2.gz HIWYOXPTEVCJDS-QUCCMNQESA-N 0 1 382.508 3.385 20 0 GGADMN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000115647474 1412744703 /nfs/dbraw/zinc/74/47/03/1412744703.db2.gz PQEIHPXVOLYRQQ-LJQANCHMSA-N 0 1 395.503 3.049 20 0 GGADMN COc1ccc(CN(C(=O)COC(=O)c2cc(-c3ccco3)n[nH]2)C2CC2)cc1 ZINC000115646674 1412744833 /nfs/dbraw/zinc/74/48/33/1412744833.db2.gz ULEIIKCEBUOZHG-UHFFFAOYSA-N 0 1 395.415 3.026 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(Cc2ccc(F)cc2)CC2CC2)C[C@H](C)O1 ZINC000115650254 1412745568 /nfs/dbraw/zinc/74/55/68/1412745568.db2.gz MQAOEUCJNDSCGL-CALCHBBNSA-N 0 1 377.504 3.247 20 0 GGADMN Cc1cccc([C@H](C)NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1C ZINC000115656230 1412748379 /nfs/dbraw/zinc/74/83/79/1412748379.db2.gz CNCZVQVFZLRVBN-SFHVURJKSA-N 0 1 381.524 3.011 20 0 GGADMN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000115659522 1412750001 /nfs/dbraw/zinc/75/00/01/1412750001.db2.gz LNUQJLMZPHOWJM-UHFFFAOYSA-N 0 1 382.395 3.179 20 0 GGADMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000177291166 1428674031 /nfs/dbraw/zinc/67/40/31/1428674031.db2.gz KAMCOOFNXZUUGX-OAHLLOKOSA-N 0 1 378.398 3.197 20 0 GGADMN O=S(=O)(NCCN1CCC(CCc2ccc(O)cc2)CC1)c1ccccc1 ZINC000115697840 1412764845 /nfs/dbraw/zinc/76/48/45/1412764845.db2.gz YPQXYHDSNLRLMR-UHFFFAOYSA-N 0 1 388.533 3.015 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000115721052 1412772878 /nfs/dbraw/zinc/77/28/78/1412772878.db2.gz BQXYLXWUYFFOAG-XXBNENTESA-N 0 1 377.532 3.452 20 0 GGADMN O=C(Nc1nccn1Cc1ccccc1Cl)c1nnc2ccccc2c1O ZINC000115717686 1412773101 /nfs/dbraw/zinc/77/31/01/1412773101.db2.gz BOFFQJMTRAFGAR-UHFFFAOYSA-N 0 1 379.807 3.074 20 0 GGADMN CN1CCN(c2cc(CNC(=O)Nc3ccccc3OC(C)(C)C)ccn2)CC1 ZINC000115777581 1412787534 /nfs/dbraw/zinc/78/75/34/1412787534.db2.gz HUNFTTWKWIBQBA-UHFFFAOYSA-N 0 1 397.523 3.332 20 0 GGADMN CC(C)[C@@H](CNC(=O)N(Cc1ccc(F)cc1)CC1CC1)N1CCN(C)CC1 ZINC000115793036 1412790609 /nfs/dbraw/zinc/79/06/09/1412790609.db2.gz HWFTYNJXHZPSAA-OAQYLSRUSA-N 0 1 390.547 3.019 20 0 GGADMN CC[C@@H]1COCCN1C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000115805435 1412794426 /nfs/dbraw/zinc/79/44/26/1412794426.db2.gz WLKGWRJUJZSDDT-MJGOQNOKSA-N 0 1 375.513 3.043 20 0 GGADMN CC[C@@H]1COCCN1C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000115805440 1412795165 /nfs/dbraw/zinc/79/51/65/1412795165.db2.gz WLKGWRJUJZSDDT-IEBWSBKVSA-N 0 1 375.513 3.043 20 0 GGADMN COc1ccc(-c2cc3[n-]c(C[NH+]4CCC(C)(O)CC4)nc(=O)c3s2)cc1 ZINC000177295498 1428676479 /nfs/dbraw/zinc/67/64/79/1428676479.db2.gz WBHQSQRCLBRAFW-UHFFFAOYSA-N 0 1 385.489 3.007 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000115820482 1412798531 /nfs/dbraw/zinc/79/85/31/1412798531.db2.gz CDCWRHGFRKDIJQ-HUUCEWRRSA-N 0 1 395.931 3.304 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000115820478 1412798732 /nfs/dbraw/zinc/79/87/32/1412798732.db2.gz CDCWRHGFRKDIJQ-GJZGRUSLSA-N 0 1 395.931 3.304 20 0 GGADMN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccc(F)c(CN(C)C)c1)C2 ZINC000115844533 1412802037 /nfs/dbraw/zinc/80/20/37/1412802037.db2.gz HLDMLYJIWGIDHR-UHFFFAOYSA-N 0 1 387.503 3.012 20 0 GGADMN Cc1cccc([C@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1C ZINC000115859102 1412803223 /nfs/dbraw/zinc/80/32/23/1412803223.db2.gz KXZBEQWMVAUEGR-GHTZIAJQSA-N 0 1 381.520 3.083 20 0 GGADMN CN(C)Cc1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1F ZINC000115880530 1412808365 /nfs/dbraw/zinc/80/83/65/1412808365.db2.gz CQYRKZCGVFTFNX-UHFFFAOYSA-N 0 1 385.483 3.440 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000115981108 1412819221 /nfs/dbraw/zinc/81/92/21/1412819221.db2.gz FXUMCQWHDLOHJH-UHFFFAOYSA-N 0 1 387.487 3.241 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)c2)CC1 ZINC000116003837 1412820920 /nfs/dbraw/zinc/82/09/20/1412820920.db2.gz ORKHOIQLSJJVNY-QZTJIDSGSA-N 0 1 385.458 3.454 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000116020565 1412822301 /nfs/dbraw/zinc/82/23/01/1412822301.db2.gz LCUUXUSYJDMZCV-AWEZNQCLSA-N 0 1 381.542 3.305 20 0 GGADMN C[C@@H](c1ccccc1)N1CCC(NC(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000116064926 1412826937 /nfs/dbraw/zinc/82/69/37/1412826937.db2.gz XYQNVVCZUHTUKL-KRWDZBQOSA-N 0 1 392.565 3.076 20 0 GGADMN CC(C)c1ccc(CCNC(=O)COC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000116142432 1412836283 /nfs/dbraw/zinc/83/62/83/1412836283.db2.gz SDAJQQCSUNJXFU-UHFFFAOYSA-N 0 1 379.460 3.131 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000116191804 1412840989 /nfs/dbraw/zinc/84/09/89/1412840989.db2.gz SGUQVZGFCLIRBU-KBPBESRZSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)n[nH]2)cc1 ZINC000116191804 1412840990 /nfs/dbraw/zinc/84/09/90/1412840990.db2.gz SGUQVZGFCLIRBU-KBPBESRZSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)n2)cc1 ZINC000116191807 1412841055 /nfs/dbraw/zinc/84/10/55/1412841055.db2.gz SGUQVZGFCLIRBU-KGLIPLIRSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)n[nH]2)cc1 ZINC000116191807 1412841057 /nfs/dbraw/zinc/84/10/57/1412841057.db2.gz SGUQVZGFCLIRBU-KGLIPLIRSA-N 0 1 384.386 3.178 20 0 GGADMN CC(C)N(C)CC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000116205195 1412842376 /nfs/dbraw/zinc/84/23/76/1412842376.db2.gz OXXFCAGZJRVDGT-UHFFFAOYSA-N 0 1 396.278 3.314 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)n[nH]2)cc1 ZINC000116220579 1412844173 /nfs/dbraw/zinc/84/41/73/1412844173.db2.gz ZHICEPAREFLBNT-UHFFFAOYSA-N 0 1 395.894 3.392 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc4c(c3)C(=O)CCC4)n2)cc1 ZINC000177306831 1428680629 /nfs/dbraw/zinc/68/06/29/1428680629.db2.gz QTZZKNZMJZBPLS-UHFFFAOYSA-N 0 1 391.431 3.321 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc4c(c3)C(=O)CCC4)n[nH]2)cc1 ZINC000177306831 1428680635 /nfs/dbraw/zinc/68/06/35/1428680635.db2.gz QTZZKNZMJZBPLS-UHFFFAOYSA-N 0 1 391.431 3.321 20 0 GGADMN CNC(=O)Cn1ccc2ccc(NC(=O)CCc3nc4cccc(C)c4[nH]3)cc21 ZINC000177307878 1428680928 /nfs/dbraw/zinc/68/09/28/1428680928.db2.gz BTDRIGGWTLDFHV-UHFFFAOYSA-N 0 1 389.459 3.143 20 0 GGADMN CCc1nc(CN2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000177307240 1428680945 /nfs/dbraw/zinc/68/09/45/1428680945.db2.gz VWCZZTXQLFYXCJ-UHFFFAOYSA-N 0 1 382.430 3.401 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cccc(N(C)C)c1 ZINC000116288869 1412847969 /nfs/dbraw/zinc/84/79/69/1412847969.db2.gz HPBKPZFPFAUJHC-UHFFFAOYSA-N 0 1 381.524 3.135 20 0 GGADMN NS(=O)(=O)c1ccc(CCN2CCSC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000116327221 1412849690 /nfs/dbraw/zinc/84/96/90/1412849690.db2.gz PHAIFPBINOOQEG-GOSISDBHSA-N 0 1 396.965 3.320 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000116325777 1412849999 /nfs/dbraw/zinc/84/99/99/1412849999.db2.gz VLLDIKNGWKARTH-FQEVSTJZSA-N 0 1 395.528 3.120 20 0 GGADMN Cn1nc(-c2ccccc2)c(CNC[C@H](O)COc2ccc(F)cc2)c1Cl ZINC000116336177 1412851056 /nfs/dbraw/zinc/85/10/56/1412851056.db2.gz PEUFGANBXNUZAS-INIZCTEOSA-N 0 1 389.858 3.409 20 0 GGADMN COc1ccc(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1F ZINC000116358246 1412852627 /nfs/dbraw/zinc/85/26/27/1412852627.db2.gz DTZFSBABILBOEG-HNNXBMFYSA-N 0 1 392.496 3.338 20 0 GGADMN Cn1nc(-c2ccccc2)c([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1Cl ZINC000116401533 1412855014 /nfs/dbraw/zinc/85/50/14/1412855014.db2.gz LECSVVSALRLGHW-QGZVFWFLSA-N 0 1 377.839 3.187 20 0 GGADMN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)NC1CCN(Cc2ccccn2)CC1 ZINC000116419845 1412857120 /nfs/dbraw/zinc/85/71/20/1412857120.db2.gz VTNQOJRMWBFIEB-QFBILLFUSA-N 0 1 386.446 3.180 20 0 GGADMN O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ncccc1O ZINC000116459331 1412863578 /nfs/dbraw/zinc/86/35/78/1412863578.db2.gz BZJSKEJACJOENB-UHFFFAOYSA-N 0 1 382.441 3.155 20 0 GGADMN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000116464031 1412864783 /nfs/dbraw/zinc/86/47/83/1412864783.db2.gz FEXDNQRKKBQNBR-VXKWHMMOSA-N 0 1 382.504 3.288 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1cn2cccc(C)c2n1)N1CCCC1 ZINC000116495240 1412868155 /nfs/dbraw/zinc/86/81/55/1412868155.db2.gz KTPIDGWMVVGVCC-HXUWFJFHSA-N 0 1 392.503 3.147 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Cc1cn2cccc(C)c2n1)N1CCCC1 ZINC000116495238 1412868193 /nfs/dbraw/zinc/86/81/93/1412868193.db2.gz KTPIDGWMVVGVCC-FQEVSTJZSA-N 0 1 392.503 3.147 20 0 GGADMN O=S(=O)(Cc1ccccc1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000116500900 1412869009 /nfs/dbraw/zinc/86/90/09/1412869009.db2.gz DDMODIBFYVRULA-UHFFFAOYSA-N 0 1 382.489 3.181 20 0 GGADMN C[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000116508275 1412870238 /nfs/dbraw/zinc/87/02/38/1412870238.db2.gz ROQFBHZPWNFOPW-HNNXBMFYSA-N 0 1 387.503 3.020 20 0 GGADMN CCc1cc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)n(C)n1 ZINC000116509723 1412870328 /nfs/dbraw/zinc/87/03/28/1412870328.db2.gz WDPPNFPXCHUORO-SFHVURJKSA-N 0 1 385.512 3.340 20 0 GGADMN CCc1cc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)n(C)n1 ZINC000116511147 1412870359 /nfs/dbraw/zinc/87/03/59/1412870359.db2.gz OXXUISOEANXVEW-UHFFFAOYSA-N 0 1 377.492 3.485 20 0 GGADMN C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000116508277 1412870376 /nfs/dbraw/zinc/87/03/76/1412870376.db2.gz ROQFBHZPWNFOPW-OAHLLOKOSA-N 0 1 387.503 3.020 20 0 GGADMN CCc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n(C)n1 ZINC000116512090 1412870767 /nfs/dbraw/zinc/87/07/67/1412870767.db2.gz QSZXDRYNPNQTCD-INIZCTEOSA-N 0 1 395.429 3.397 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC(C)(C)c2nc(C)cs2)N(C)C)c1 ZINC000116522167 1412871635 /nfs/dbraw/zinc/87/16/35/1412871635.db2.gz MRRHXJGIFMJTAD-MRXNPFEDSA-N 0 1 376.526 3.297 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1)c1ccco1 ZINC000116538814 1412874269 /nfs/dbraw/zinc/87/42/69/1412874269.db2.gz DIKHDJOZVGLREC-OKZBNKHCSA-N 0 1 392.544 3.045 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000116562896 1412878207 /nfs/dbraw/zinc/87/82/07/1412878207.db2.gz CFLRAHNXMLOMLW-BBRMVZONSA-N 0 1 399.401 3.114 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3F)n[nH]2)cc1 ZINC000116562896 1412878210 /nfs/dbraw/zinc/87/82/10/1412878210.db2.gz CFLRAHNXMLOMLW-BBRMVZONSA-N 0 1 399.401 3.114 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1 ZINC000116593477 1412884822 /nfs/dbraw/zinc/88/48/22/1412884822.db2.gz SJECDUALWWTCKA-SFTDATJTSA-N 0 1 397.519 3.417 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cccn2Cc2ccncc2)N2CCCC2)o1 ZINC000116592513 1412884840 /nfs/dbraw/zinc/88/48/40/1412884840.db2.gz BJQJEBTUDFBKJC-HXUWFJFHSA-N 0 1 378.476 3.400 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2nnn(-c3cccc(C)c3)c2C)N2CCCC2)o1 ZINC000116592546 1412884919 /nfs/dbraw/zinc/88/49/19/1412884919.db2.gz QYJYBZBENSTLOS-LJQANCHMSA-N 0 1 393.491 3.352 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(Cn3ccnc3)cc2)N2CCCC2)o1 ZINC000116592926 1412884944 /nfs/dbraw/zinc/88/49/44/1412884944.db2.gz RPGBVRUIUIAZDV-HXUWFJFHSA-N 0 1 378.476 3.400 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccn2Cc2ccncc2)N2CCCC2)o1 ZINC000116592516 1412885041 /nfs/dbraw/zinc/88/50/41/1412885041.db2.gz BJQJEBTUDFBKJC-FQEVSTJZSA-N 0 1 378.476 3.400 20 0 GGADMN COc1cccc(CN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C2CCC(O)CC2)c1 ZINC000116645215 1412891279 /nfs/dbraw/zinc/89/12/79/1412891279.db2.gz PDGILAGYTFSIBE-JJHAYVRDSA-N 0 1 388.552 3.496 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000116662465 1412894378 /nfs/dbraw/zinc/89/43/78/1412894378.db2.gz VLIWXAOGKFSMIV-UHFFFAOYSA-N 0 1 377.448 3.298 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc4c[nH]nc43)C2)nc1 ZINC000116661815 1412894492 /nfs/dbraw/zinc/89/44/92/1412894492.db2.gz ZJQIANYSSKSQCR-HNNXBMFYSA-N 0 1 377.448 3.066 20 0 GGADMN COC(=O)c1cc(-c2csc(NC(=O)c3cc(C)cc4c[nH]nc43)n2)c[nH]1 ZINC000116676961 1412895257 /nfs/dbraw/zinc/89/52/57/1412895257.db2.gz XVLNNGIMAGUOJV-UHFFFAOYSA-N 0 1 381.417 3.362 20 0 GGADMN C[C@@H](NC(=O)c1ccc(NC2CC2)nc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000116677031 1412895301 /nfs/dbraw/zinc/89/53/01/1412895301.db2.gz 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CC[C@@H](C)[C@@H](C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000116728722 1412906703 /nfs/dbraw/zinc/90/67/03/1412906703.db2.gz OQSPLBOFCXCKDJ-XMSQKQJNSA-N 0 1 380.536 3.280 20 0 GGADMN O=C(Nc1ccc2oc(=O)ccc2c1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000116737578 1412912626 /nfs/dbraw/zinc/91/26/26/1412912626.db2.gz ZJRVRXPMPZJSBB-UHFFFAOYSA-N 0 1 389.367 3.207 20 0 GGADMN CCCc1n[n-]c(=S)n1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116815967 1412929019 /nfs/dbraw/zinc/92/90/19/1412929019.db2.gz LSRKFERJEGMNES-UHFFFAOYSA-N 0 1 397.932 3.126 20 0 GGADMN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000116846630 1412939103 /nfs/dbraw/zinc/93/91/03/1412939103.db2.gz DXPLGPFSHNPAOA-SANMLTNESA-N 0 1 389.502 3.286 20 0 GGADMN COCCOC1CCN([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000116886944 1412950606 /nfs/dbraw/zinc/95/06/06/1412950606.db2.gz GKCOPZZQAPYRRS-GOSISDBHSA-N 0 1 389.540 3.131 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000116925202 1412956442 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CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000117227448 1413014183 /nfs/dbraw/zinc/01/41/83/1413014183.db2.gz UGMDNCBANUOFCT-UHFFFAOYSA-N 0 1 381.885 3.326 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cnc1Cl ZINC000117227780 1413014428 /nfs/dbraw/zinc/01/44/28/1413014428.db2.gz YDPRVTXSACPPTI-UHFFFAOYSA-N 0 1 381.885 3.373 20 0 GGADMN CCn1cnnc1-c1cccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000117228111 1413015142 /nfs/dbraw/zinc/01/51/42/1413015142.db2.gz AIGVPKGUGCYRDS-UHFFFAOYSA-N 0 1 377.857 3.123 20 0 GGADMN CCO[C@@H](C)c1nc(CC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC000117233415 1413017018 /nfs/dbraw/zinc/01/70/18/1413017018.db2.gz CCEXMYOVGKKYAH-GUYCJALGSA-N 0 1 379.501 3.341 20 0 GGADMN O=C(CC1CCOCC1)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000117239223 1413018004 /nfs/dbraw/zinc/01/80/04/1413018004.db2.gz NJQLXYFOIRMDNF-UHFFFAOYSA-N 0 1 398.481 3.443 20 0 GGADMN CCO[C@H](C)c1nc(CC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cs1 ZINC000117240863 1413018074 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C[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000117706311 1413067738 /nfs/dbraw/zinc/06/77/38/1413067738.db2.gz AAPHLTXUJADBRH-SJLPKXTDSA-N 0 1 375.513 3.008 20 0 GGADMN CCOCCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000117730402 1413072272 /nfs/dbraw/zinc/07/22/72/1413072272.db2.gz PDNHURJDMBIUFT-UHFFFAOYSA-N 0 1 382.420 3.078 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000117750608 1413075352 /nfs/dbraw/zinc/07/53/52/1413075352.db2.gz NLXABPALUUQXTK-OAHLLOKOSA-N 0 1 388.899 3.283 20 0 GGADMN O=C(COC[C@@H]1CCOC1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000117760615 1413076474 /nfs/dbraw/zinc/07/64/74/1413076474.db2.gz VXXLSNTWECWDNP-OAHLLOKOSA-N 0 1 378.432 3.130 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccc(OC4CCCCC4)cc3)C2)CC1 ZINC000117794163 1413079577 /nfs/dbraw/zinc/07/95/77/1413079577.db2.gz YUFLFMTZRKVNNU-FQEVSTJZSA-N 0 1 385.552 3.250 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)n[nH]1 ZINC000117824364 1413081683 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COc1cccc([C@H](CNC(=O)N2CCS[C@H](C)[C@@H]2C)N2CCCC2)c1 ZINC000118565168 1413180650 /nfs/dbraw/zinc/18/06/50/1413180650.db2.gz ISVOCYSQVRPAIH-FCEWJHQRSA-N 0 1 377.554 3.368 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCS[C@@H](C)[C@H]2C)N2CCCC2)c1 ZINC000118565162 1413180654 /nfs/dbraw/zinc/18/06/54/1413180654.db2.gz ISVOCYSQVRPAIH-GJYPPUQNSA-N 0 1 377.554 3.368 20 0 GGADMN C[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000118574417 1413183142 /nfs/dbraw/zinc/18/31/42/1413183142.db2.gz LCVSCQBVHUMYEL-ARFHVFGLSA-N 0 1 394.560 3.174 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCC(C)(C)c3cccc(F)c3)n2)cc1 ZINC000118585374 1413185982 /nfs/dbraw/zinc/18/59/82/1413185982.db2.gz HRNFXOJIKZNQSP-UHFFFAOYSA-N 0 1 397.454 3.396 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCC(C)(C)c3cccc(F)c3)n[nH]2)cc1 ZINC000118585374 1413185990 /nfs/dbraw/zinc/18/59/90/1413185990.db2.gz HRNFXOJIKZNQSP-UHFFFAOYSA-N 0 1 397.454 3.396 20 0 GGADMN CN(CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)C[C@@H]1CCOC1 ZINC000177373021 1428708480 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COC(=O)c1ccc(NC(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000118837310 1413240122 /nfs/dbraw/zinc/24/01/22/1413240122.db2.gz CZTFKGFCPFNVMH-UHFFFAOYSA-N 0 1 392.459 3.168 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000118837036 1413240235 /nfs/dbraw/zinc/24/02/35/1413240235.db2.gz VUACIACLCDGLCZ-CVDCTZTESA-N 0 1 392.547 3.344 20 0 GGADMN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837978 1413241540 /nfs/dbraw/zinc/24/15/40/1413241540.db2.gz XHWTZWGDAIKYFD-OAHLLOKOSA-N 0 1 397.523 3.289 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(C)C ZINC000118840175 1413241562 /nfs/dbraw/zinc/24/15/62/1413241562.db2.gz NQCSFIZHRAHTIK-SIKLNZKXSA-N 0 1 380.536 3.319 20 0 GGADMN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837976 1413241808 /nfs/dbraw/zinc/24/18/08/1413241808.db2.gz XHWTZWGDAIKYFD-HNNXBMFYSA-N 0 1 397.523 3.289 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C ZINC000118840970 1413242271 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Cc1ccc(NC(=O)N(C)C)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000118870421 1413254974 /nfs/dbraw/zinc/25/49/74/1413254974.db2.gz VSKJJXFTXUEBIF-GOSISDBHSA-N 0 1 384.480 3.248 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000118867718 1413255366 /nfs/dbraw/zinc/25/53/66/1413255366.db2.gz JFTCSVCEDTWQHU-NRFANRHFSA-N 0 1 394.519 3.230 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000118867720 1413255490 /nfs/dbraw/zinc/25/54/90/1413255490.db2.gz JFTCSVCEDTWQHU-OAQYLSRUSA-N 0 1 394.519 3.230 20 0 GGADMN Cc1ccc(NC(=O)N(C)C)c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000118870420 1413255667 /nfs/dbraw/zinc/25/56/67/1413255667.db2.gz VSKJJXFTXUEBIF-SFHVURJKSA-N 0 1 384.480 3.248 20 0 GGADMN COc1cc(NC2CCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)cc(OC)c1 ZINC000177371936 1428708177 /nfs/dbraw/zinc/70/81/77/1428708177.db2.gz KKBIAMQESFXIAK-QFIPXVFZSA-N 0 1 397.519 3.410 20 0 GGADMN COCCOc1c(Cl)cccc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118881820 1413258372 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GGADMN Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000118952663 1413272717 /nfs/dbraw/zinc/27/27/17/1413272717.db2.gz VDIPMCXUNUJPPJ-QGZVFWFLSA-N 0 1 392.908 3.118 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000118952663 1413272725 /nfs/dbraw/zinc/27/27/25/1413272725.db2.gz VDIPMCXUNUJPPJ-QGZVFWFLSA-N 0 1 392.908 3.118 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000118970127 1413281278 /nfs/dbraw/zinc/28/12/78/1413281278.db2.gz UNBRCIFPWVNIPD-GOSISDBHSA-N 0 1 384.915 3.397 20 0 GGADMN COC(=O)c1cccc(-c2nc(CN3CCC[C@H](Cn4ccnn4)C3)cs2)c1 ZINC000118971591 1413282583 /nfs/dbraw/zinc/28/25/83/1413282583.db2.gz OXIIDYXDUXLHMS-HNNXBMFYSA-N 0 1 397.504 3.100 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cncc(OC(C)C)c1 ZINC000118975765 1413285421 /nfs/dbraw/zinc/28/54/21/1413285421.db2.gz WVVBLOPOHRURRI-UHFFFAOYSA-N 0 1 398.507 3.272 20 0 GGADMN Cc1c(I)cccc1NC(=O)CCCCc1cn[nH]n1 ZINC000118987351 1413291712 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0 1 399.545 3.345 20 0 GGADMN CC(C)(O)[C@H]1CCCN1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000119030499 1413311056 /nfs/dbraw/zinc/31/10/56/1413311056.db2.gz WBCSJIHDXZLROP-QGZVFWFLSA-N 0 1 387.505 3.174 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3C(=O)N(C)C)[nH]2)c1 ZINC000119054290 1413318447 /nfs/dbraw/zinc/31/84/47/1413318447.db2.gz CPVJQFFWWHCQAN-UHFFFAOYSA-N 0 1 378.432 3.348 20 0 GGADMN NC(=O)C1CCN(c2ncccc2CN[C@H]2CCSc3ccccc32)CC1 ZINC000119060345 1413321430 /nfs/dbraw/zinc/32/14/30/1413321430.db2.gz ODUWHKHCKIAGKL-SFHVURJKSA-N 0 1 382.533 3.110 20 0 GGADMN Cc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000119070213 1413325310 /nfs/dbraw/zinc/32/53/10/1413325310.db2.gz UAXPQYFEGQBFMZ-INIZCTEOSA-N 0 1 392.496 3.006 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000119073987 1413326375 /nfs/dbraw/zinc/32/63/75/1413326375.db2.gz HUCHLCJUXMWMBW-BTYIYWSLSA-N 0 1 379.460 3.471 20 0 GGADMN COC(=O)[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000119073731 1413326758 /nfs/dbraw/zinc/32/67/58/1413326758.db2.gz HUCHLCJUXMWMBW-VFNWGFHPSA-N 0 1 379.460 3.471 20 0 GGADMN C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000119079599 1413327900 /nfs/dbraw/zinc/32/79/00/1413327900.db2.gz VWNLKBAVPBNEDY-MRXNPFEDSA-N 0 1 380.492 3.280 20 0 GGADMN Cc1c(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cnn1C ZINC000119083977 1413330450 /nfs/dbraw/zinc/33/04/50/1413330450.db2.gz VTABVPGFYZJBBX-UHFFFAOYSA-N 0 1 389.931 3.093 20 0 GGADMN C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cnc2ccsc2c1 ZINC000119099709 1413336177 /nfs/dbraw/zinc/33/61/77/1413336177.db2.gz ILMBAPQYHJYZGG-AWEZNQCLSA-N 0 1 395.532 3.244 20 0 GGADMN NC(=O)C1CCN(c2ncccc2CN[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000119108252 1413339738 /nfs/dbraw/zinc/33/97/38/1413339738.db2.gz YGAWYPRMRMDSMX-IBGZPJMESA-N 0 1 384.911 3.214 20 0 GGADMN C[C@](NCCCc1nc(-c2ccccc2)no1)(C(N)=O)c1cccc(Cl)c1 ZINC000177401292 1428719298 /nfs/dbraw/zinc/71/92/98/1428719298.db2.gz LZAHMUSYGPPKKK-HXUWFJFHSA-N 0 1 384.867 3.313 20 0 GGADMN COCCOc1cccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000119110970 1413340997 /nfs/dbraw/zinc/34/09/97/1413340997.db2.gz HOUXTNLBUXBDMT-KRWDZBQOSA-N 0 1 398.507 3.454 20 0 GGADMN Cc1ncc(CNC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)s1 ZINC000119114882 1413342680 /nfs/dbraw/zinc/34/26/80/1413342680.db2.gz IIKRLFBLDUKGJC-ZDUSSCGKSA-N 0 1 396.398 3.177 20 0 GGADMN C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc2ccccc2o1 ZINC000119117982 1413344241 /nfs/dbraw/zinc/34/42/41/1413344241.db2.gz SOZWOLRQTYGSDY-HNNXBMFYSA-N 0 1 378.476 3.380 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000119136447 1413351861 /nfs/dbraw/zinc/35/18/61/1413351861.db2.gz JNSYXVKMERDTQF-UHFFFAOYSA-N 0 1 389.503 3.295 20 0 GGADMN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1nnc2ccccc2c1O ZINC000119145930 1413354531 /nfs/dbraw/zinc/35/45/31/1413354531.db2.gz KEWYVCOMVXCARH-SFHVURJKSA-N 0 1 390.830 3.491 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1(CC)CC ZINC000177403938 1428720611 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Cn1ncc2c1ncc(C(=O)Nc1ncc(Cc3ccc(F)cc3)s1)c2O ZINC000119162710 1413360986 /nfs/dbraw/zinc/36/09/86/1413360986.db2.gz HBKQBCWLRVBFGT-UHFFFAOYSA-N 0 1 383.408 3.113 20 0 GGADMN Cn1[nH]cc2c(=O)c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cnc1-2 ZINC000119162710 1413361004 /nfs/dbraw/zinc/36/10/04/1413361004.db2.gz HBKQBCWLRVBFGT-UHFFFAOYSA-N 0 1 383.408 3.113 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cn(C)nc2-c2cccs2)CC1 ZINC000119169878 1413363747 /nfs/dbraw/zinc/36/37/47/1413363747.db2.gz DLDKNYLULKDIGT-OAHLLOKOSA-N 0 1 395.532 3.499 20 0 GGADMN Cc1cc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)ccc1NC(=O)c1ccco1 ZINC000119173962 1413364990 /nfs/dbraw/zinc/36/49/90/1413364990.db2.gz CUBZQUGOVIQGIA-UHFFFAOYSA-N 0 1 391.387 3.080 20 0 GGADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000119183987 1413368932 /nfs/dbraw/zinc/36/89/32/1413368932.db2.gz GIONZWQONVEQOF-HNNXBMFYSA-N 0 1 386.337 3.219 20 0 GGADMN Cc1cccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1O ZINC000119198165 1413372983 /nfs/dbraw/zinc/37/29/83/1413372983.db2.gz JTWZXMKBOJRXAK-CQSZACIVSA-N 0 1 376.338 3.357 20 0 GGADMN O=C(CCc1ccccc1O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119198442 1413373045 /nfs/dbraw/zinc/37/30/45/1413373045.db2.gz BZGVUEJTNGCAAL-QGZVFWFLSA-N 0 1 390.365 3.368 20 0 GGADMN COc1ccc(F)cc1CN1CCN(Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000119200648 1413373590 /nfs/dbraw/zinc/37/35/90/1413373590.db2.gz CIVWLDCADYOFNU-UHFFFAOYSA-N 0 1 395.482 3.041 20 0 GGADMN CC(C)n1nccc1C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119217844 1413378757 /nfs/dbraw/zinc/37/87/57/1413378757.db2.gz LLYBAVSLKGLJTI-AWEZNQCLSA-N 0 1 378.358 3.120 20 0 GGADMN Cc1cc(=O)oc2cc(OCCSc3nc(-c4cccnc4)n[nH]3)ccc12 ZINC000119220707 1413379870 /nfs/dbraw/zinc/37/98/70/1413379870.db2.gz ZWTVKFCSSHCGGL-UHFFFAOYSA-N 0 1 380.429 3.453 20 0 GGADMN CO[C@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000119227177 1413381793 /nfs/dbraw/zinc/38/17/93/1413381793.db2.gz CEJVMEOTTZGJQB-CVEARBPZSA-N 0 1 390.365 3.417 20 0 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CCn1c2ccccc2nc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000119264177 1413393664 /nfs/dbraw/zinc/39/36/64/1413393664.db2.gz ZBHFYQDQHHTJLA-HOCLYGCPSA-N 0 1 384.436 3.055 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCc1cc(=O)oc2c(C)c(O)ccc12)c1ccccc1 ZINC000177411488 1428724635 /nfs/dbraw/zinc/72/46/35/1428724635.db2.gz XSNXPFZDDUVVRJ-VLIAUNLRSA-N 0 1 381.428 3.447 20 0 GGADMN CCn1c2ccccc2nc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000119264057 1413393953 /nfs/dbraw/zinc/39/39/53/1413393953.db2.gz ZBHFYQDQHHTJLA-ZBFHGGJFSA-N 0 1 384.436 3.055 20 0 GGADMN CCn1c2ccccc2nc1[C@@H](C)NC[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000119264773 1413394058 /nfs/dbraw/zinc/39/40/58/1413394058.db2.gz UWTQZYRHRCFJRF-CRAIPNDOSA-N 0 1 381.476 3.349 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCc1cc(=O)oc2c(C)c(O)ccc12)c1ccccc1 ZINC000177411515 1428724720 /nfs/dbraw/zinc/72/47/20/1428724720.db2.gz XSNXPFZDDUVVRJ-XOBRGWDASA-N 0 1 381.428 3.447 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1cccc2c1N=S=N2)c1ccccc1 ZINC000177411436 1428724835 /nfs/dbraw/zinc/72/48/35/1428724835.db2.gz FAHBZKVPXICAGJ-YVEFUNNKSA-N 0 1 384.461 3.492 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)N(C)C)cc1 ZINC000119273633 1413396497 /nfs/dbraw/zinc/39/64/97/1413396497.db2.gz LRTGIGWUWJHONJ-FQEVSTJZSA-N 0 1 378.476 3.088 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)[nH]n1 ZINC000119277453 1413397031 /nfs/dbraw/zinc/39/70/31/1413397031.db2.gz CSLCBTZIVJAISB-UHFFFAOYSA-N 0 1 394.479 3.065 20 0 GGADMN COc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)ccc1OCc1cscn1 ZINC000119281177 1413398117 /nfs/dbraw/zinc/39/81/17/1413398117.db2.gz LSDIFNVXVSNGGW-UHFFFAOYSA-N 0 1 397.416 3.361 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)NC[C@H](c3cccs3)N3CCCC3)ccc2[nH]1 ZINC000119284345 1413398668 /nfs/dbraw/zinc/39/86/68/1413398668.db2.gz VWKLWZNVEOEHBL-GOSISDBHSA-N 0 1 396.516 3.430 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000119285179 1413399651 /nfs/dbraw/zinc/39/96/51/1413399651.db2.gz QAMKVUUOANGKOM-KRWDZBQOSA-N 0 1 382.489 3.121 20 0 GGADMN O=C(CCc1nc(-c2ccoc2)no1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000119289396 1413400741 /nfs/dbraw/zinc/40/07/41/1413400741.db2.gz MBBYECYQTSAHNT-UHFFFAOYSA-N 0 1 398.438 3.182 20 0 GGADMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000119303338 1413405309 /nfs/dbraw/zinc/40/53/09/1413405309.db2.gz NQROGKFCSODJQL-DLBZAZTESA-N 0 1 388.512 3.224 20 0 GGADMN CCn1c2ccccc2nc1[C@@H](C)NC[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000119309007 1413407044 /nfs/dbraw/zinc/40/70/44/1413407044.db2.gz XPPNKIQJQOFWBB-CRAIPNDOSA-N 0 1 396.491 3.105 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCN(C2CCOCC2)CC1 ZINC000177412889 1428725620 /nfs/dbraw/zinc/72/56/20/1428725620.db2.gz TXKYJDVSTMCRLC-UHFFFAOYSA-N 0 1 389.515 3.144 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(c2cccs2)CC1)c1cccc(F)c1 ZINC000119326934 1413413160 /nfs/dbraw/zinc/41/31/60/1413413160.db2.gz AFUIYAHHPQGYQN-KRWDZBQOSA-N 0 1 376.501 3.022 20 0 GGADMN COC(=O)[C@]1(C)CCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000177414116 1428726120 /nfs/dbraw/zinc/72/61/20/1428726120.db2.gz PFHBULCDWMMAOE-LJQANCHMSA-N 0 1 376.478 3.212 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000177415039 1428726246 /nfs/dbraw/zinc/72/62/46/1428726246.db2.gz HGGOPBWJYLWIQC-QRWLVFNGSA-N 0 1 384.501 3.265 20 0 GGADMN CCCc1[nH]ncc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000119342828 1413417916 /nfs/dbraw/zinc/41/79/16/1413417916.db2.gz AHGZOHJIRNCETA-UHFFFAOYSA-N 0 1 396.900 3.052 20 0 GGADMN CCc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1F ZINC000119351347 1413420911 /nfs/dbraw/zinc/42/09/11/1413420911.db2.gz PGEDELLUIJGKIH-KXBFYZLASA-N 0 1 383.467 3.106 20 0 GGADMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1c(F)ccc(F)c1F ZINC000119351987 1413421060 /nfs/dbraw/zinc/42/10/60/1413421060.db2.gz NVLJAUMUPLGIBD-UHFFFAOYSA-N 0 1 391.437 3.042 20 0 GGADMN CCc1ncc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)cn1 ZINC000119354439 1413421632 /nfs/dbraw/zinc/42/16/32/1413421632.db2.gz VSTULIGVRTTZAV-GOSISDBHSA-N 0 1 383.496 3.396 20 0 GGADMN C[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000119355434 1413422219 /nfs/dbraw/zinc/42/22/19/1413422219.db2.gz MAZIGHBSKWWJMB-YWZLYKJASA-N 0 1 387.911 3.119 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000119365181 1413425639 /nfs/dbraw/zinc/42/56/39/1413425639.db2.gz VRYMXGDVCKWAMV-UHFFFAOYSA-N 0 1 394.390 3.190 20 0 GGADMN CCc1noc(CC)c1CC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119368975 1413426472 /nfs/dbraw/zinc/42/64/72/1413426472.db2.gz ZXDWIZFKANZKNA-IAGOWNOFSA-N 0 1 399.535 3.268 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2)C[C@H](C)O1 ZINC000119367733 1413426479 /nfs/dbraw/zinc/42/64/79/1413426479.db2.gz NLRXVPLGGGOTDU-HOTGVXAUSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3cccc(F)c3F)cc2)C[C@H](C)O1 ZINC000119369474 1413426920 /nfs/dbraw/zinc/42/69/20/1413426920.db2.gz ASPRANURWMIORJ-HOTGVXAUSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)CCSc3ccccn3)cc2)C[C@H](C)O1 ZINC000119369878 1413426968 /nfs/dbraw/zinc/42/69/68/1413426968.db2.gz CIBXKHZYKZGHCN-ROUUACIJSA-N 0 1 399.560 3.489 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)c3c(F)ccc(F)c3F)CC2)c1 ZINC000119399690 1413434581 /nfs/dbraw/zinc/43/45/81/1413434581.db2.gz CQAKZOAZBBIKBK-UHFFFAOYSA-N 0 1 391.437 3.354 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000177418176 1428727635 /nfs/dbraw/zinc/72/76/35/1428727635.db2.gz SBHCJVGNUKKJRO-YJYMSZOUSA-N 0 1 390.867 3.427 20 0 GGADMN Cc1c(NC(=O)c2cnc3c(cnn3C)c2O)cnn1-c1cc(C)ccc1C ZINC000119405121 1413436417 /nfs/dbraw/zinc/43/64/17/1413436417.db2.gz MCVZABNLWQEVSV-UHFFFAOYSA-N 0 1 376.420 3.037 20 0 GGADMN Cc1c(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)cnn1-c1cc(C)ccc1C ZINC000119405121 1413436424 /nfs/dbraw/zinc/43/64/24/1413436424.db2.gz MCVZABNLWQEVSV-UHFFFAOYSA-N 0 1 376.420 3.037 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000177417082 1428727757 /nfs/dbraw/zinc/72/77/57/1428727757.db2.gz PEEXLEXDXWKAIQ-UGSOOPFHSA-N 0 1 392.402 3.367 20 0 GGADMN CC(C)CC(=O)NCCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000119412559 1413438632 /nfs/dbraw/zinc/43/86/32/1413438632.db2.gz HNEIGZLWLHSTJJ-UHFFFAOYSA-N 0 1 393.959 3.221 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000119416383 1413440367 /nfs/dbraw/zinc/44/03/67/1413440367.db2.gz LOGWPLNQZUPLSK-KRWDZBQOSA-N 0 1 387.446 3.247 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000177418527 1428728373 /nfs/dbraw/zinc/72/83/73/1428728373.db2.gz OUACUFOBPDQNJW-VGSWGCGISA-N 0 1 395.503 3.365 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000177418557 1428728383 /nfs/dbraw/zinc/72/83/83/1428728383.db2.gz OUACUFOBPDQNJW-VGOFRKELSA-N 0 1 395.503 3.365 20 0 GGADMN C[C@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)n1cccc1 ZINC000119441696 1413447955 /nfs/dbraw/zinc/44/79/55/1413447955.db2.gz JVINEOGSCNXMPP-OAHLLOKOSA-N 0 1 394.441 3.136 20 0 GGADMN CN(Cc1ccc(OCC(F)(F)F)nc1)Cc1ccccc1N1CCOCC1 ZINC000119443377 1413448516 /nfs/dbraw/zinc/44/85/16/1413448516.db2.gz JRTNEGQHETZXMQ-UHFFFAOYSA-N 0 1 395.425 3.491 20 0 GGADMN CC[C@@H](CNC(=O)N1CCO[C@@H](c2ccco2)C1)[N@H+]1CCc2ccccc2C1 ZINC000119453951 1413452300 /nfs/dbraw/zinc/45/23/00/1413452300.db2.gz FJJAITBQAUOQPI-PZJWPPBQSA-N 0 1 383.492 3.199 20 0 GGADMN CCNC(=O)c1cc(NC(=O)c2cccc(-c3nnc[nH]3)c2)nc2ccccc21 ZINC000119456868 1413453145 /nfs/dbraw/zinc/45/31/45/1413453145.db2.gz DRFFVYROSDWPBG-UHFFFAOYSA-N 0 1 386.415 3.022 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000119457664 1413453537 /nfs/dbraw/zinc/45/35/37/1413453537.db2.gz DPHRZHDSGKPLNB-QWHCGFSZSA-N 0 1 379.476 3.278 20 0 GGADMN C[C@@H]1C[C@@H](N(C)CC(=O)[N-]OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000119460357 1413454383 /nfs/dbraw/zinc/45/43/83/1413454383.db2.gz RWXQKGAILQMJEN-KNQAVFIVSA-N 0 1 381.520 3.219 20 0 GGADMN O=C(C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1)[N-]OCc1ccccc1 ZINC000119462591 1413456037 /nfs/dbraw/zinc/45/60/37/1413456037.db2.gz ATYDVQOPWJXSOX-FQEVSTJZSA-N 0 1 380.444 3.063 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000119467235 1413457436 /nfs/dbraw/zinc/45/74/36/1413457436.db2.gz XMSJEKNKDLBPNS-AUUYWEPGSA-N 0 1 386.471 3.194 20 0 GGADMN CCCOc1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cn1 ZINC000119481843 1413462051 /nfs/dbraw/zinc/46/20/51/1413462051.db2.gz KKVHOLDATCRVFR-UHFFFAOYSA-N 0 1 397.504 3.372 20 0 GGADMN O=C(NCc1cccc2c1OCCCO2)NC[C@H](c1ccco1)N1CCCC1 ZINC000119486140 1413463031 /nfs/dbraw/zinc/46/30/31/1413463031.db2.gz OYLYIONEINBBEN-QGZVFWFLSA-N 0 1 385.464 3.077 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000119491172 1413464728 /nfs/dbraw/zinc/46/47/28/1413464728.db2.gz WGKGPEPRQQJEIR-KBPBESRZSA-N 0 1 399.466 3.391 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000119508347 1413470424 /nfs/dbraw/zinc/47/04/24/1413470424.db2.gz WXAWIRHBOJZECW-UHFFFAOYSA-N 0 1 392.459 3.299 20 0 GGADMN COc1cc(F)c(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000119535405 1413478933 /nfs/dbraw/zinc/47/89/33/1413478933.db2.gz AFLVSQYCBKQBFB-OAHLLOKOSA-N 0 1 393.358 3.425 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000119535343 1413479000 /nfs/dbraw/zinc/47/90/00/1413479000.db2.gz MAIOQKWETUQEJH-MRXNPFEDSA-N 0 1 381.455 3.271 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCSCc1ccccn1 ZINC000119542526 1413480932 /nfs/dbraw/zinc/48/09/32/1413480932.db2.gz HLXIXNWJUQNIRV-LJQANCHMSA-N 0 1 398.576 3.032 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)CSc3ccc(O)cc3)CC2)c1 ZINC000119552551 1413483469 /nfs/dbraw/zinc/48/34/69/1413483469.db2.gz PDYYDDWTERIJBB-UHFFFAOYSA-N 0 1 399.560 3.121 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000119579352 1413491906 /nfs/dbraw/zinc/49/19/06/1413491906.db2.gz JYKIOVOMSUCQGY-GOEBONIOSA-N 0 1 394.450 3.227 20 0 GGADMN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1O ZINC000119580569 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PEKYQMPHRNRVJR-MSOLQXFVSA-N 0 1 396.453 3.380 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000120545054 1413840313 /nfs/dbraw/zinc/84/03/13/1413840313.db2.gz JSGOGAONWNSRMT-QGZVFWFLSA-N 0 1 377.448 3.179 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CC[C@@H](c4ccccc4)C3)n[nH]2)cc1 ZINC000120545054 1413840314 /nfs/dbraw/zinc/84/03/14/1413840314.db2.gz JSGOGAONWNSRMT-QGZVFWFLSA-N 0 1 377.448 3.179 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@H](c4ccccc4)C3)n2)cc1 ZINC000120544895 1413840333 /nfs/dbraw/zinc/84/03/33/1413840333.db2.gz JSGOGAONWNSRMT-KRWDZBQOSA-N 0 1 377.448 3.179 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CC[C@H](c4ccccc4)C3)n[nH]2)cc1 ZINC000120544895 1413840337 /nfs/dbraw/zinc/84/03/37/1413840337.db2.gz JSGOGAONWNSRMT-KRWDZBQOSA-N 0 1 377.448 3.179 20 0 GGADMN CSc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000120555487 1413842233 /nfs/dbraw/zinc/84/22/33/1413842233.db2.gz GGANPZPQPZEJCW-IEBWSBKVSA-N 0 1 385.533 3.413 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000120555298 1413842242 /nfs/dbraw/zinc/84/22/42/1413842242.db2.gz POJBTCWTVWZWKZ-QGZVFWFLSA-N 0 1 394.422 3.035 20 0 GGADMN CSc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000120555654 1413842458 /nfs/dbraw/zinc/84/24/58/1413842458.db2.gz GGANPZPQPZEJCW-MJGOQNOKSA-N 0 1 385.533 3.413 20 0 GGADMN CCS[C@@H]1CCCCN(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000120560632 1413843598 /nfs/dbraw/zinc/84/35/98/1413843598.db2.gz SFKLGNUYATUKRX-MRXNPFEDSA-N 0 1 389.525 3.298 20 0 GGADMN CCS[C@@H]1CCCCN(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C1 ZINC000120560632 1413843599 /nfs/dbraw/zinc/84/35/99/1413843599.db2.gz SFKLGNUYATUKRX-MRXNPFEDSA-N 0 1 389.525 3.298 20 0 GGADMN CCN(Cc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000120564748 1413844462 /nfs/dbraw/zinc/84/44/62/1413844462.db2.gz TZUQSXIHMOFROK-UHFFFAOYSA-N 0 1 395.463 3.221 20 0 GGADMN CCN(Cc1ccc(OC)cc1)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000120564748 1413844464 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3.089 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)[C@@H](C)c3cccc(O)c3)n[nH]2)cc1 ZINC000120594718 1413850999 /nfs/dbraw/zinc/85/09/99/1413850999.db2.gz BMTHTXIFYYFOSC-ZDUSSCGKSA-N 0 1 381.436 3.089 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)[C@H](C)c3cccc(O)c3)n2)cc1 ZINC000120594856 1413851211 /nfs/dbraw/zinc/85/12/11/1413851211.db2.gz BMTHTXIFYYFOSC-CYBMUJFWSA-N 0 1 381.436 3.089 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)[C@H](C)c3cccc(O)c3)n[nH]2)cc1 ZINC000120594856 1413851213 /nfs/dbraw/zinc/85/12/13/1413851213.db2.gz BMTHTXIFYYFOSC-CYBMUJFWSA-N 0 1 381.436 3.089 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000120603007 1413852640 /nfs/dbraw/zinc/85/26/40/1413852640.db2.gz RTAMOKXCGWJBBO-UHFFFAOYSA-N 0 1 399.472 3.241 20 0 GGADMN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCN(CC2CC2)CC1 ZINC000120608891 1413854202 /nfs/dbraw/zinc/85/42/02/1413854202.db2.gz PSXYPFSZZUUMGP-UHFFFAOYSA-N 0 1 384.455 3.250 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)[C@H](C)c3ccc(OC)cc3)n2)cc1 ZINC000120610811 1413854422 /nfs/dbraw/zinc/85/44/22/1413854422.db2.gz FAAAZRAZFLCFBS-CQSZACIVSA-N 0 1 395.463 3.392 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)[C@H](C)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000120610811 1413854425 /nfs/dbraw/zinc/85/44/25/1413854425.db2.gz FAAAZRAZFLCFBS-CQSZACIVSA-N 0 1 395.463 3.392 20 0 GGADMN Cc1c(CNC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)oc2ccc(F)cc12 ZINC000120609916 1413854581 /nfs/dbraw/zinc/85/45/81/1413854581.db2.gz KCQOPOZCWXTDHG-KBPBESRZSA-N 0 1 377.460 3.179 20 0 GGADMN C[C@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177480280 1428760450 /nfs/dbraw/zinc/76/04/50/1428760450.db2.gz CPOWIPJRPISVAT-OKZBNKHCSA-N 0 1 388.531 3.470 20 0 GGADMN Cc1ccc(C)c(OCCN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000120612060 1413855134 /nfs/dbraw/zinc/85/51/34/1413855134.db2.gz DIAUPVVEENJLQB-UHFFFAOYSA-N 0 1 388.533 3.125 20 0 GGADMN CCCCNC(=O)C1CCN(CC(=O)N2CCc3sccc3[C@H]2CC)CC1 ZINC000120620666 1413857164 /nfs/dbraw/zinc/85/71/64/1413857164.db2.gz LLAYBUNMYJTLFI-GOSISDBHSA-N 0 1 391.581 3.212 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000120627782 1413859297 /nfs/dbraw/zinc/85/92/97/1413859297.db2.gz NCDLZMVQSUPVBJ-MRXNPFEDSA-N 0 1 398.503 3.499 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1cccs1 ZINC000120633436 1413860907 /nfs/dbraw/zinc/86/09/07/1413860907.db2.gz XQKMKBHSUGHSKC-HNNXBMFYSA-N 0 1 376.457 3.196 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccnn3Cc3ccc(C)o3)[nH]n2)c1 ZINC000120645421 1413864177 /nfs/dbraw/zinc/86/41/77/1413864177.db2.gz ZZMOBBSGIUIQJY-UHFFFAOYSA-N 0 1 377.404 3.484 20 0 GGADMN CCc1ccc([C@H]2CCCCCN2C(=O)NCCCCN2CC[NH+](C)CC2)o1 ZINC000120646835 1413864597 /nfs/dbraw/zinc/86/45/97/1413864597.db2.gz HSCIZDUONZAUEN-HXUWFJFHSA-N 0 1 390.572 3.496 20 0 GGADMN C[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177480297 1428761177 /nfs/dbraw/zinc/76/11/77/1428761177.db2.gz CPOWIPJRPISVAT-KURKYZTESA-N 0 1 388.531 3.470 20 0 GGADMN Cc1ccc(NC(=O)C2CCN([C@@H](C)C(=O)NCc3ccccc3C)CC2)nc1 ZINC000120648860 1413865299 /nfs/dbraw/zinc/86/52/99/1413865299.db2.gz HTQKRFWFXSNCNW-SFHVURJKSA-N 0 1 394.519 3.054 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000120650032 1413865622 /nfs/dbraw/zinc/86/56/22/1413865622.db2.gz DLTSLZVYSVTXGZ-UHFFFAOYSA-N 0 1 385.445 3.137 20 0 GGADMN O=C(Nc1cccc(C(=O)OC[C@@H]2CCCN2Cc2ccco2)c1)NC1CC1 ZINC000120656656 1413867311 /nfs/dbraw/zinc/86/73/11/1413867311.db2.gz SFWDJEOWXWXUNM-SFHVURJKSA-N 0 1 383.448 3.385 20 0 GGADMN C[C@H](O)[C@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000120662284 1413868941 /nfs/dbraw/zinc/86/89/41/1413868941.db2.gz ORSDAASEWCRVSO-WMZOPIPTSA-N 0 1 385.533 3.405 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000120673142 1413871428 /nfs/dbraw/zinc/87/14/28/1413871428.db2.gz YVBIWTRGGOMHDJ-HKUYNNGSSA-N 0 1 386.540 3.220 20 0 GGADMN CCC(CC)n1nccc1C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000120677103 1413872427 /nfs/dbraw/zinc/87/24/27/1413872427.db2.gz GGNOOCUABXSDAU-UHFFFAOYSA-N 0 1 397.523 3.274 20 0 GGADMN COCc1ccccc1CNC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120682542 1413874098 /nfs/dbraw/zinc/87/40/98/1413874098.db2.gz VVEKTVYBERQFAF-UHFFFAOYSA-N 0 1 392.503 3.205 20 0 GGADMN Cc1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(O[C@H]2CCOC2)c1 ZINC000120686630 1413874980 /nfs/dbraw/zinc/87/49/80/1413874980.db2.gz DFJQZNDKTKTSFX-APWZRJJASA-N 0 1 389.517 3.417 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000120698993 1413878137 /nfs/dbraw/zinc/87/81/37/1413878137.db2.gz KRGNIQMSDNIYAV-UHFFFAOYSA-N 0 1 393.535 3.223 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120700010 1413878335 /nfs/dbraw/zinc/87/83/35/1413878335.db2.gz VMSZARAKKKNSPM-KRWDZBQOSA-N 0 1 386.427 3.262 20 0 GGADMN O=C(NCCc1ccc2c(c1)OCO2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000120701952 1413878883 /nfs/dbraw/zinc/87/88/83/1413878883.db2.gz DUKCQEIFLHNAGP-UHFFFAOYSA-N 0 1 399.466 3.061 20 0 GGADMN C[C@H](O)[C@@H]1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000120712831 1413882111 /nfs/dbraw/zinc/88/21/11/1413882111.db2.gz VWMWAGIMMPNZCD-GOEBONIOSA-N 0 1 376.884 3.309 20 0 GGADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nn1cnc2ccccc2c1=O ZINC000120713618 1413882712 /nfs/dbraw/zinc/88/27/12/1413882712.db2.gz IWIMMVDLQXZEJP-UHFFFAOYSA-N 0 1 394.431 3.275 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321883 1428762949 /nfs/dbraw/zinc/76/29/49/1428762949.db2.gz NKCKQPJLQACHOC-UZLBHIALSA-N 0 1 390.491 3.099 20 0 GGADMN CCCc1ccccc1NC(=O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000120735637 1413888628 /nfs/dbraw/zinc/88/86/28/1413888628.db2.gz BAXAFFBJPCNWGC-UHFFFAOYSA-N 0 1 397.494 3.498 20 0 GGADMN CC(C)[C@H](NCCOc1ccc(F)cc1Cl)c1nc(-c2nc[nH]n2)no1 ZINC000120747193 1413891207 /nfs/dbraw/zinc/89/12/07/1413891207.db2.gz GKSBSRPDEVUBAM-ZDUSSCGKSA-N 0 1 380.811 3.013 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000120750477 1413892159 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CN1CCN(c2ccc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)nc2)CC1 ZINC000121558967 1414177455 /nfs/dbraw/zinc/17/74/55/1414177455.db2.gz DTOHCQOHVMCAFL-UHFFFAOYSA-N 0 1 382.361 3.244 20 0 GGADMN CC(C)[C@H](NC(=O)CN[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000121566478 1414179723 /nfs/dbraw/zinc/17/97/23/1414179723.db2.gz RUUDBZAQGIRODD-VWNXMTODSA-N 0 1 395.547 3.163 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000121567826 1414181185 /nfs/dbraw/zinc/18/11/85/1414181185.db2.gz IKMNILSBBKVPIR-PGRDOPGGSA-N 0 1 399.510 3.008 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000121580679 1414186186 /nfs/dbraw/zinc/18/61/86/1414186186.db2.gz UYNPXJBEHOQHHZ-FQEVSTJZSA-N 0 1 379.435 3.337 20 0 GGADMN Cn1cccc1[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822694042 1428787454 /nfs/dbraw/zinc/78/74/54/1428787454.db2.gz SJFGYMRWSDVTIM-QGZVFWFLSA-N 0 1 399.886 3.024 20 0 GGADMN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000121585286 1414188095 /nfs/dbraw/zinc/18/80/95/1414188095.db2.gz QFJJCQPBVNOVTN-UHFFFAOYSA-N 0 1 388.443 3.345 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc3ccccc3c2)N(C)C)c1 ZINC000121587541 1414188944 /nfs/dbraw/zinc/18/89/44/1414188944.db2.gz LETQCAAXDQSJPU-OAQYLSRUSA-N 0 1 391.471 3.206 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc3ccccc3c2)N(C)C)c1 ZINC000121587378 1414189027 /nfs/dbraw/zinc/18/90/27/1414189027.db2.gz LETQCAAXDQSJPU-NRFANRHFSA-N 0 1 391.471 3.206 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000121599267 1414194320 /nfs/dbraw/zinc/19/43/20/1414194320.db2.gz HHXYTWLDAMJQOB-UHFFFAOYSA-N 0 1 397.928 3.232 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1F ZINC000121603103 1414196484 /nfs/dbraw/zinc/19/64/84/1414196484.db2.gz ZKXAJOJKZYIACI-UHFFFAOYSA-N 0 1 380.416 3.310 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000121607882 1414198257 /nfs/dbraw/zinc/19/82/57/1414198257.db2.gz FWSLVYZSGHXGDI-IPELMVKDSA-N 0 1 379.932 3.422 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000121607558 1414198395 /nfs/dbraw/zinc/19/83/95/1414198395.db2.gz FWSLVYZSGHXGDI-SNRMKQJTSA-N 0 1 379.932 3.422 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000177547072 1428788452 /nfs/dbraw/zinc/78/84/52/1428788452.db2.gz LRQXBQWSYYHWTG-WBVHZDCISA-N 0 1 383.517 3.081 20 0 GGADMN Cc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1N(C)C ZINC000121620525 1414203566 /nfs/dbraw/zinc/20/35/66/1414203566.db2.gz LIRIKKZOJHTOFY-CTNGQTDRSA-N 0 1 396.535 3.066 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1cccs1 ZINC000121639572 1414209029 /nfs/dbraw/zinc/20/90/29/1414209029.db2.gz OULMZSQTQDGYDX-AUUYWEPGSA-N 0 1 387.530 3.096 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1cccs1 ZINC000121639111 1414209080 /nfs/dbraw/zinc/20/90/80/1414209080.db2.gz OULMZSQTQDGYDX-LIRRHRJNSA-N 0 1 387.530 3.096 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CCN1CCOC ZINC000121638895 1414209116 /nfs/dbraw/zinc/20/91/16/1414209116.db2.gz WFXQEUNFUXCJMW-JKSUJKDBSA-N 0 1 399.482 3.048 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCN1CCOC ZINC000121645027 1414210644 /nfs/dbraw/zinc/21/06/44/1414210644.db2.gz WSLNHXHNONIZLO-OAHLLOKOSA-N 0 1 387.446 3.077 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCN1CCOC ZINC000121645178 1414210783 /nfs/dbraw/zinc/21/07/83/1414210783.db2.gz WSLNHXHNONIZLO-HNNXBMFYSA-N 0 1 387.446 3.077 20 0 GGADMN CCn1c2nnc(CN3CC[C@H](c4ccccc4)[C@@H]3C)n2c2ccccc2c1=O ZINC000177549811 1428789703 /nfs/dbraw/zinc/78/97/03/1428789703.db2.gz ZCFCWHBCYJYDDL-WMZOPIPTSA-N 0 1 387.487 3.442 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000121655184 1414213653 /nfs/dbraw/zinc/21/36/53/1414213653.db2.gz IMJAKCNORVBVGV-RYUDHWBXSA-N 0 1 375.391 3.048 20 0 GGADMN CCc1nnc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)s1 ZINC000121667962 1414217282 /nfs/dbraw/zinc/21/72/82/1414217282.db2.gz XQURHVGOXNINPQ-UHFFFAOYSA-N 0 1 386.334 3.091 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CCN1CCOC ZINC000121668002 1414217469 /nfs/dbraw/zinc/21/74/69/1414217469.db2.gz LMWCAUGSMGULKP-FQEVSTJZSA-N 0 1 375.557 3.355 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000121675535 1414219755 /nfs/dbraw/zinc/21/97/55/1414219755.db2.gz VNDZTROMQIGWRN-UHFFFAOYSA-N 0 1 380.419 3.489 20 0 GGADMN O=C(Nc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1)[C@@H]1CCCO1 ZINC000121679351 1414221221 /nfs/dbraw/zinc/22/12/21/1414221221.db2.gz IUJCHOBTTWZLPH-FQEVSTJZSA-N 0 1 376.460 3.484 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000121682460 1414222073 /nfs/dbraw/zinc/22/20/73/1414222073.db2.gz WYGYXGCSMKGIGX-RTWAWAEBSA-N 0 1 385.552 3.052 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000121683536 1414222558 /nfs/dbraw/zinc/22/25/58/1414222558.db2.gz PUCFGNRCXJJJJI-SFTDATJTSA-N 0 1 385.552 3.196 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000121683738 1414222629 /nfs/dbraw/zinc/22/26/29/1414222629.db2.gz PUCFGNRCXJJJJI-RTWAWAEBSA-N 0 1 385.552 3.196 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000121683889 1414222760 /nfs/dbraw/zinc/22/27/60/1414222760.db2.gz BRUISKKMAKUTGV-OAQYLSRUSA-N 0 1 395.503 3.149 20 0 GGADMN CCC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CCN1CCOC ZINC000121699873 1414228343 /nfs/dbraw/zinc/22/83/43/1414228343.db2.gz DQIHFPMCUGIZMS-IRXDYDNUSA-N 0 1 381.948 3.408 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CC1 ZINC000826513288 1428791014 /nfs/dbraw/zinc/79/10/14/1428791014.db2.gz GQGRZXGTEDCVRH-UHFFFAOYSA-N 0 1 375.480 3.027 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCN1CCOC ZINC000121716585 1414234245 /nfs/dbraw/zinc/23/42/45/1414234245.db2.gz KLKQZQOVYMOMDV-QFBILLFUSA-N 0 1 390.503 3.293 20 0 GGADMN C[NH+]1CCC(CCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)CC1 ZINC000121717156 1414234280 /nfs/dbraw/zinc/23/42/80/1414234280.db2.gz JDRVLCPASVFCDU-UHFFFAOYSA-N 0 1 393.944 3.109 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000121720224 1414235076 /nfs/dbraw/zinc/23/50/76/1414235076.db2.gz TYJUMOFYCVEGLQ-KRWDZBQOSA-N 0 1 387.446 3.077 20 0 GGADMN Cc1ccc(CN(C(=O)CN2CCN(CCc3ccccc3)CC2)C2CC2)cc1 ZINC000121720592 1414235980 /nfs/dbraw/zinc/23/59/80/1414235980.db2.gz RLPIGNDDJNFTEG-UHFFFAOYSA-N 0 1 391.559 3.346 20 0 GGADMN COc1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1F ZINC000121724952 1414237227 /nfs/dbraw/zinc/23/72/27/1414237227.db2.gz HQRFWWWKCWPBOH-UHFFFAOYSA-N 0 1 380.485 3.153 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)CCN1CCOC ZINC000121737503 1414241209 /nfs/dbraw/zinc/24/12/09/1414241209.db2.gz FCTADSSOOIOIRS-SFHVURJKSA-N 0 1 375.557 3.355 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2ccccc2C(C)(C)C)CCN1CCOC ZINC000121737369 1414241380 /nfs/dbraw/zinc/24/13/80/1414241380.db2.gz FCTADSSOOIOIRS-GOSISDBHSA-N 0 1 375.557 3.355 20 0 GGADMN Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000121744022 1414243269 /nfs/dbraw/zinc/24/32/69/1414243269.db2.gz BQLMUFPYQCPIBS-SFHVURJKSA-N 0 1 399.520 3.268 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000121758300 1414248205 /nfs/dbraw/zinc/24/82/05/1414248205.db2.gz XJLHCWXWXLJEDT-UHFFFAOYSA-N 0 1 378.367 3.131 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC[C@H](c4nnc5ccccn54)C3)C2=O)cc1 ZINC000121763475 1414249665 /nfs/dbraw/zinc/24/96/65/1414249665.db2.gz GDMNKAXSHMOXKS-HKUYNNGSSA-N 0 1 375.476 3.023 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)cn3)CC2)c1C ZINC000121782614 1414255468 /nfs/dbraw/zinc/25/54/68/1414255468.db2.gz QKADVADPWLSLEL-UHFFFAOYSA-N 0 1 382.508 3.147 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCOCc3ccccc3)n2)cc1 ZINC000121786117 1414256466 /nfs/dbraw/zinc/25/64/66/1414256466.db2.gz QLLJGULJUNWMRR-UHFFFAOYSA-N 0 1 382.489 3.205 20 0 GGADMN COCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000121790469 1414258338 /nfs/dbraw/zinc/25/83/38/1414258338.db2.gz MCQQHEXQRLQKMM-UHFFFAOYSA-N 0 1 392.452 3.009 20 0 GGADMN O=C(NCCCSc1nnc(NCCc2cccs2)s1)C(F)(F)F ZINC000121798200 1414260306 /nfs/dbraw/zinc/26/03/06/1414260306.db2.gz APHGPJIBQQXTTQ-UHFFFAOYSA-N 0 1 396.485 3.415 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)C[C@@H]1C ZINC000121810007 1414264908 /nfs/dbraw/zinc/26/49/08/1414264908.db2.gz JLUNQDXQACYZEH-ZNMIVQPWSA-N 0 1 385.455 3.100 20 0 GGADMN O=C(c1cnc(-c2ncccn2)s1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000121811866 1414265631 /nfs/dbraw/zinc/26/56/31/1414265631.db2.gz QVZZHUQUELQROU-OAHLLOKOSA-N 0 1 377.473 3.225 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C)N1CCN(C)CC1 ZINC000121818909 1414268291 /nfs/dbraw/zinc/26/82/91/1414268291.db2.gz HNIVGADYLNHBDP-PMACEKPBSA-N 0 1 392.563 3.484 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@H]1c1cccc(Cl)c1)N1CCN(C)CC1 ZINC000121822690 1414269658 /nfs/dbraw/zinc/26/96/58/1414269658.db2.gz RRUGRUKTLCZZQO-PMACEKPBSA-N 0 1 392.975 3.459 20 0 GGADMN CCOc1cc(CNC(=O)NCCCc2cn[nH]c2C)ccc1OC(F)F ZINC000121835409 1414273686 /nfs/dbraw/zinc/27/36/86/1414273686.db2.gz KYRANCGLQYHKCI-UHFFFAOYSA-N 0 1 382.411 3.150 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1F ZINC000121847230 1414276932 /nfs/dbraw/zinc/27/69/32/1414276932.db2.gz RMLUSGONRQMXDI-JOCHJYFZSA-N 0 1 397.494 3.257 20 0 GGADMN CCOc1cc(C(=O)NCCCc2cn[nH]c2C)ccc1OCc1cccnc1 ZINC000121849403 1414277792 /nfs/dbraw/zinc/27/77/92/1414277792.db2.gz DDNOIKUEZCNDKS-UHFFFAOYSA-N 0 1 394.475 3.453 20 0 GGADMN Cc1cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)c2cnn(C(C)C)c2n1 ZINC000121853397 1414279112 /nfs/dbraw/zinc/27/91/12/1414279112.db2.gz SBWVTFVUAJTUSX-UHFFFAOYSA-N 0 1 383.471 3.451 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1F ZINC000121855339 1414279746 /nfs/dbraw/zinc/27/97/46/1414279746.db2.gz OMOCBXAZJSZGNG-INIZCTEOSA-N 0 1 376.859 3.408 20 0 GGADMN CCOc1ccc(NC(=O)CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000121855243 1414279753 /nfs/dbraw/zinc/27/97/53/1414279753.db2.gz XWZFTFRMYQWGIE-OAQYLSRUSA-N 0 1 384.476 3.371 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000121858423 1414280781 /nfs/dbraw/zinc/28/07/81/1414280781.db2.gz CKDMIVIJBFESFV-TZIWHRDSSA-N 0 1 397.519 3.478 20 0 GGADMN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000121864747 1414283057 /nfs/dbraw/zinc/28/30/57/1414283057.db2.gz LQZFSTRSLKPWQJ-HNNXBMFYSA-N 0 1 391.475 3.479 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)cc1F ZINC000121866358 1414283520 /nfs/dbraw/zinc/28/35/20/1414283520.db2.gz POYVDTVKJFISDM-UHFFFAOYSA-N 0 1 388.468 3.248 20 0 GGADMN c1cnc(N2CCOCC2)c(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121875735 1414287077 /nfs/dbraw/zinc/28/70/77/1414287077.db2.gz QNCKAAWISNMPNV-OAQYLSRUSA-N 0 1 379.504 3.410 20 0 GGADMN COc1cc(CNCc2cccc(NC(C)=O)c2)cc(Br)c1O ZINC000121876064 1414287649 /nfs/dbraw/zinc/28/76/49/1414287649.db2.gz JLDMZAFOLMIQIB-UHFFFAOYSA-N 0 1 379.254 3.412 20 0 GGADMN O=C(C[C@H]1CCCN1CCCN1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000121887108 1414291499 /nfs/dbraw/zinc/29/14/99/1414291499.db2.gz VTNVBEKKAJYABB-OAHLLOKOSA-N 0 1 382.485 3.472 20 0 GGADMN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC000121890860 1414292971 /nfs/dbraw/zinc/29/29/71/1414292971.db2.gz GEKXLOPEQFWTRO-CHWSQXEVSA-N 0 1 382.432 3.379 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2cccc(F)c2F)cc1OC ZINC000121904612 1414300504 /nfs/dbraw/zinc/30/05/04/1414300504.db2.gz RGUCDGIKRIWUSN-CYBMUJFWSA-N 0 1 378.419 3.339 20 0 GGADMN COCCOc1ccc(Cl)cc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000121907068 1414302627 /nfs/dbraw/zinc/30/26/27/1414302627.db2.gz RQWVQJHUEZAIBC-UHFFFAOYSA-N 0 1 394.874 3.496 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@H](CC)c1c(C)noc1C)N1CCOCC1 ZINC000121916223 1414305639 /nfs/dbraw/zinc/30/56/39/1414305639.db2.gz AAMJAHIVGDGSLP-MSOLQXFVSA-N 0 1 380.533 3.179 20 0 GGADMN COc1cccc(CNC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121917045 1414305959 /nfs/dbraw/zinc/30/59/59/1414305959.db2.gz HPCFBWMTESZPGU-ICSRJNTNSA-N 0 1 386.492 3.273 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2ccnc(OCC(F)(F)F)c2)cc1F ZINC000121921142 1414308126 /nfs/dbraw/zinc/30/81/26/1414308126.db2.gz COFAWSIXTWTDEH-UHFFFAOYSA-N 0 1 385.361 3.153 20 0 GGADMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000121921198 1414308415 /nfs/dbraw/zinc/30/84/15/1414308415.db2.gz OVHIOCBNCONEGH-DYVFJYSZSA-N 0 1 375.490 3.445 20 0 GGADMN CC(C)(C)CCN1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000121927908 1414310276 /nfs/dbraw/zinc/31/02/76/1414310276.db2.gz FJRWFMLBRDIBPV-UHFFFAOYSA-N 0 1 387.553 3.344 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NCc3ccc(CN(C)C)c(F)c3)c2)no1 ZINC000121930329 1414311259 /nfs/dbraw/zinc/31/12/59/1414311259.db2.gz JOFRKWYCSIIOEV-UHFFFAOYSA-N 0 1 398.438 3.088 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCN1CCOC ZINC000121932911 1414313093 /nfs/dbraw/zinc/31/30/93/1414313093.db2.gz VMTRSUCUKXPWLB-DOTOQJQBSA-N 0 1 399.482 3.048 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(C)nc3c2cnn3C(C)C)N(C)C)c1 ZINC000121942533 1414316327 /nfs/dbraw/zinc/31/63/27/1414316327.db2.gz KAFBJULOQZEGCP-HXUWFJFHSA-N 0 1 395.507 3.362 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(C3CCCC3)c2C)c1 ZINC000121952533 1414321445 /nfs/dbraw/zinc/32/14/45/1414321445.db2.gz QDFFWJVNNWOLFJ-UHFFFAOYSA-N 0 1 377.466 3.058 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2scnc2C2CC2)CC1 ZINC000121958440 1414323550 /nfs/dbraw/zinc/32/35/50/1414323550.db2.gz AIBJNBOOHKSTCQ-UHFFFAOYSA-N 0 1 384.505 3.051 20 0 GGADMN NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000121962569 1414325005 /nfs/dbraw/zinc/32/50/05/1414325005.db2.gz QPULLJRXKZDNKX-UHFFFAOYSA-N 0 1 382.851 3.248 20 0 GGADMN NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000121961833 1414325031 /nfs/dbraw/zinc/32/50/31/1414325031.db2.gz SMSHJTFUQKVUDH-UHFFFAOYSA-N 0 1 382.851 3.248 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1F ZINC000121970310 1414327554 /nfs/dbraw/zinc/32/75/54/1414327554.db2.gz NJQHABMUNCRAPC-UHFFFAOYSA-N 0 1 383.467 3.021 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCN(c2cccc(C)c2)CC1 ZINC000121988723 1414332335 /nfs/dbraw/zinc/33/23/35/1414332335.db2.gz NTBNWTSDIQVDBD-UHFFFAOYSA-N 0 1 384.524 3.082 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCCOCc3ccccc3)CC2)cc1 ZINC000177571381 1428798994 /nfs/dbraw/zinc/79/89/94/1428798994.db2.gz BFDPUJIQVQJAHI-UHFFFAOYSA-N 0 1 397.519 3.129 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CCN1CCOC ZINC000121996631 1414334827 /nfs/dbraw/zinc/33/48/27/1414334827.db2.gz VDJNGTMVWOIQKX-GOEBONIOSA-N 0 1 385.911 3.239 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2cccc(OCC(F)(F)F)n2)cc1F ZINC000121995903 1414335008 /nfs/dbraw/zinc/33/50/08/1414335008.db2.gz YMVNFMLHOBOGOE-UHFFFAOYSA-N 0 1 385.361 3.153 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000122003782 1414337729 /nfs/dbraw/zinc/33/77/29/1414337729.db2.gz JMHAZEKXEWYILH-HXUWFJFHSA-N 0 1 386.517 3.087 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000122025342 1414342427 /nfs/dbraw/zinc/34/24/27/1414342427.db2.gz QTMHVLSRPTZPGL-UHFFFAOYSA-N 0 1 383.467 3.095 20 0 GGADMN C[C@@H]1OCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)[C@H]1C ZINC000122058803 1414351213 /nfs/dbraw/zinc/35/12/13/1414351213.db2.gz BDFHOXJNPAEICG-HOTGVXAUSA-N 0 1 379.932 3.371 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)N3CCN(CC4CCCCC4)CC3)cnc12 ZINC000122059861 1414352219 /nfs/dbraw/zinc/35/22/19/1414352219.db2.gz FBIXRPRFIDHKET-UHFFFAOYSA-N 0 1 385.483 3.314 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccc2ccccc2c1 ZINC000177578903 1428801567 /nfs/dbraw/zinc/80/15/67/1428801567.db2.gz FHGSUPSIORMIIE-GOSISDBHSA-N 0 1 388.515 3.407 20 0 GGADMN Cc1cc(CCCC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c(C)s1 ZINC000177578837 1428801809 /nfs/dbraw/zinc/80/18/09/1428801809.db2.gz JQSKKIMBLBKOQJ-UHFFFAOYSA-N 0 1 386.565 3.151 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2F)cc1F ZINC000122093598 1414361640 /nfs/dbraw/zinc/36/16/40/1414361640.db2.gz VHKDGJBATXFJDQ-UHFFFAOYSA-N 0 1 378.394 3.445 20 0 GGADMN C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000122105416 1414363833 /nfs/dbraw/zinc/36/38/33/1414363833.db2.gz BLHVGYYBSKIJIJ-YXJHDRRASA-N 0 1 399.457 3.082 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000122146598 1414373555 /nfs/dbraw/zinc/37/35/55/1414373555.db2.gz BBPZKVASUXEWJY-SFHVURJKSA-N 0 1 387.549 3.414 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000122146843 1414373780 /nfs/dbraw/zinc/37/37/80/1414373780.db2.gz BBPZKVASUXEWJY-GOSISDBHSA-N 0 1 387.549 3.414 20 0 GGADMN Cc1cc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)cnc1Cl ZINC000122168190 1414378548 /nfs/dbraw/zinc/37/85/48/1414378548.db2.gz FRBIPVIDUXDNEU-UHFFFAOYSA-N 0 1 380.920 3.400 20 0 GGADMN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177584004 1428803214 /nfs/dbraw/zinc/80/32/14/1428803214.db2.gz RYELHPUXEGMDRY-NQIIRXRSSA-N 0 1 386.536 3.404 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177583516 1428803242 /nfs/dbraw/zinc/80/32/42/1428803242.db2.gz ZRWZBJDKGBIISY-NRFANRHFSA-N 0 1 392.515 3.224 20 0 GGADMN CCN(C(=O)[C@H](C)N1CCC(CN2CCCCC2=O)CC1)C1CCCCC1 ZINC000122180203 1414380918 /nfs/dbraw/zinc/38/09/18/1414380918.db2.gz WVDUWWVPMWNABW-SFHVURJKSA-N 0 1 377.573 3.281 20 0 GGADMN O=C1[C@@H](N2CCC(OC[C@H]3CCCCO3)CC2)CCCN1c1cccc(F)c1 ZINC000177585401 1428803557 /nfs/dbraw/zinc/80/35/57/1428803557.db2.gz YBIFESLYQUPIQE-RTWAWAEBSA-N 0 1 390.499 3.371 20 0 GGADMN COc1ccc(Cn2cc(C(=O)NCc3ccc(CN(C)C)c(F)c3)cn2)cc1 ZINC000122189855 1414384310 /nfs/dbraw/zinc/38/43/10/1414384310.db2.gz HFOYXQYEXLRRHF-UHFFFAOYSA-N 0 1 396.466 3.071 20 0 GGADMN CC(C)(C)c1ccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)nn1 ZINC000122212085 1414390153 /nfs/dbraw/zinc/39/01/53/1414390153.db2.gz CMIMKTPSALNKBC-UHFFFAOYSA-N 0 1 389.544 3.130 20 0 GGADMN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000122215718 1414391826 /nfs/dbraw/zinc/39/18/26/1414391826.db2.gz COGISEGROPMYGN-GOSISDBHSA-N 0 1 391.512 3.020 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000122220413 1414392668 /nfs/dbraw/zinc/39/26/68/1414392668.db2.gz TXQHWFJQOZUWTP-IAGOWNOFSA-N 0 1 386.517 3.326 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177589021 1428804594 /nfs/dbraw/zinc/80/45/94/1428804594.db2.gz RHSQFZBRBPOWON-OPYAIIAOSA-N 0 1 386.536 3.403 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000122232317 1414396218 /nfs/dbraw/zinc/39/62/18/1414396218.db2.gz DYEIDGSEJFSQDW-UHFFFAOYSA-N 0 1 380.920 3.400 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc(F)c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122237219 1414397788 /nfs/dbraw/zinc/39/77/88/1414397788.db2.gz PDLYRIOYECNKCI-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN CC(C)[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1nc(-c2cccnc2)no1 ZINC000122242513 1414398990 /nfs/dbraw/zinc/39/89/90/1414398990.db2.gz DKACCUVANRCZLZ-MRXNPFEDSA-N 0 1 389.419 3.044 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc2[nH]ccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122264694 1414405403 /nfs/dbraw/zinc/40/54/03/1414405403.db2.gz ZUDVCOPBSDYCQL-SFHVURJKSA-N 0 1 390.487 3.229 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(SC)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122274627 1414407975 /nfs/dbraw/zinc/40/79/75/1414407975.db2.gz GXKQBYNUGJDEHE-LJQANCHMSA-N 0 1 397.544 3.470 20 0 GGADMN O=C(CCOC1CCOCC1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000177595351 1428806499 /nfs/dbraw/zinc/80/64/99/1428806499.db2.gz NZPVEJUWSLWPJN-LJQANCHMSA-N 0 1 380.916 3.179 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000122281741 1414411050 /nfs/dbraw/zinc/41/10/50/1414411050.db2.gz GPIFARHSABYDEV-CQSZACIVSA-N 0 1 394.924 3.429 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccccc1SC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122285496 1414412549 /nfs/dbraw/zinc/41/25/49/1414412549.db2.gz OOFAQNLMFAPNNT-GOSISDBHSA-N 0 1 397.544 3.470 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(N2CCCCC2=O)CC1 ZINC000122291149 1414413997 /nfs/dbraw/zinc/41/39/97/1414413997.db2.gz UIJFNBXVOHDEKJ-OAQYLSRUSA-N 0 1 383.536 3.045 20 0 GGADMN COc1cc(OC)c(CNC(=O)CN2CCC(c3ccccc3)CC2)c(OC)c1 ZINC000122309019 1414419792 /nfs/dbraw/zinc/41/97/92/1414419792.db2.gz CWAFLIFNVNQMDB-UHFFFAOYSA-N 0 1 398.503 3.208 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(F)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122310174 1414419864 /nfs/dbraw/zinc/41/98/64/1414419864.db2.gz ZETBARJFGJCWHV-QGZVFWFLSA-N 0 1 387.430 3.026 20 0 GGADMN C[C@@H]([NH2+]C1(CNc2ccc(-c3nn[n-]n3)cc2)CCOCC1)c1ccccc1 ZINC000736130539 1428806849 /nfs/dbraw/zinc/80/68/49/1428806849.db2.gz HMQWLLQNCZWXEG-MRXNPFEDSA-N 0 1 378.480 3.179 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCN(CCc2ccccc2)CC1 ZINC000122326365 1414424425 /nfs/dbraw/zinc/42/44/25/1414424425.db2.gz DTDSSPAOPOHXLC-UHFFFAOYSA-N 0 1 396.457 3.030 20 0 GGADMN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000122328878 1414425317 /nfs/dbraw/zinc/42/53/17/1414425317.db2.gz RVUIVGFFKSSRFD-UHFFFAOYSA-N 0 1 375.856 3.271 20 0 GGADMN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCN(C)CC1 ZINC000122328878 1414425321 /nfs/dbraw/zinc/42/53/21/1414425321.db2.gz RVUIVGFFKSSRFD-UHFFFAOYSA-N 0 1 375.856 3.271 20 0 GGADMN COc1ccc([C@H](C)N(C)CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000122335193 1414427011 /nfs/dbraw/zinc/42/70/11/1414427011.db2.gz TWSIEBPWSPOFAU-KKSFZXQISA-N 0 1 386.467 3.427 20 0 GGADMN COC(=O)Cc1sc(NC(=O)[C@H](C(C)C)N(C)C)nc1-c1ccccc1 ZINC000122335704 1414427370 /nfs/dbraw/zinc/42/73/70/1414427370.db2.gz QPCMJGURYYRVIJ-KRWDZBQOSA-N 0 1 375.494 3.050 20 0 GGADMN C[C@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000122346321 1414429696 /nfs/dbraw/zinc/42/96/96/1414429696.db2.gz OMRRUJSNDZYCRF-XMSQKQJNSA-N 0 1 393.531 3.246 20 0 GGADMN CN1CCc2ccc(NC(=O)N3CCC(CCCN4CCOCC4)CC3)cc21 ZINC000122362258 1414435446 /nfs/dbraw/zinc/43/54/46/1414435446.db2.gz TVWVJBANVULIER-UHFFFAOYSA-N 0 1 386.540 3.035 20 0 GGADMN Cc1cc(F)cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000122371119 1414437902 /nfs/dbraw/zinc/43/79/02/1414437902.db2.gz LRZRLHQSQCOMHD-UHFFFAOYSA-N 0 1 380.416 3.310 20 0 GGADMN O=C(NC[C@@H](O)c1ccco1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000122378933 1414440077 /nfs/dbraw/zinc/44/00/77/1414440077.db2.gz NTVCFOITBJQCLV-DLBZAZTESA-N 0 1 377.872 3.103 20 0 GGADMN CCc1nc(-c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc2)n[nH]1 ZINC000122379001 1414440174 /nfs/dbraw/zinc/44/01/74/1414440174.db2.gz ZIBBGQJWOAXYQR-SFHVURJKSA-N 0 1 381.455 3.206 20 0 GGADMN Cc1csc(-c2cccc(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)c2)n1 ZINC000122380776 1414441031 /nfs/dbraw/zinc/44/10/31/1414441031.db2.gz KBDQVJYAMVQKRN-IBGZPJMESA-N 0 1 386.565 3.120 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177617616 1428812194 /nfs/dbraw/zinc/81/21/94/1428812194.db2.gz HEOVXQDAAGGVII-OXJNMPFZSA-N 0 1 394.943 3.395 20 0 GGADMN Cc1c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cnn1CCC(C)C ZINC000122394330 1414445342 /nfs/dbraw/zinc/44/53/42/1414445342.db2.gz NULIWRQOIGQWOZ-UHFFFAOYSA-N 0 1 383.540 3.237 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000122396795 1414445675 /nfs/dbraw/zinc/44/56/75/1414445675.db2.gz LXDKDVSMWUTBFH-SFHVURJKSA-N 0 1 379.460 3.499 20 0 GGADMN O=C(CCOC[C@H]1CCCO1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000122406724 1414448886 /nfs/dbraw/zinc/44/88/86/1414448886.db2.gz BMZWHPUOIPZVAL-GCJKJVERSA-N 0 1 379.460 3.354 20 0 GGADMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177606250 1428809283 /nfs/dbraw/zinc/80/92/83/1428809283.db2.gz RNMLSZHCPYVTDF-UTKZUKDTSA-N 0 1 392.515 3.223 20 0 GGADMN CCCc1c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cnn1Cc1ccccc1 ZINC000122407431 1414449422 /nfs/dbraw/zinc/44/94/22/1414449422.db2.gz LLQXNCIWJNRZKN-RTBURBONSA-N 0 1 398.551 3.113 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Oc3cccnc3)nc2)[nH]n1 ZINC000122413524 1414451503 /nfs/dbraw/zinc/45/15/03/1414451503.db2.gz RBHHOQLFUAABNY-UHFFFAOYSA-N 0 1 389.419 3.262 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000122444399 1414462052 /nfs/dbraw/zinc/46/20/52/1414462052.db2.gz ULSOBNGXZLYFFD-MOPGFXCFSA-N 0 1 376.570 3.362 20 0 GGADMN Cc1c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cccc1-c1ccccn1 ZINC000122448873 1414463362 /nfs/dbraw/zinc/46/33/62/1414463362.db2.gz HKINUUXLZRHBBV-LJQANCHMSA-N 0 1 379.504 3.241 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000122460794 1414468849 /nfs/dbraw/zinc/46/88/49/1414468849.db2.gz PAHLQTMPHISNBG-KSSFIOAISA-N 0 1 382.476 3.020 20 0 GGADMN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177617633 1428812300 /nfs/dbraw/zinc/81/23/00/1428812300.db2.gz HEOVXQDAAGGVII-OXQOHEQNSA-N 0 1 394.943 3.395 20 0 GGADMN CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000820967907 1428811407 /nfs/dbraw/zinc/81/14/07/1428811407.db2.gz YEVQABFXEBHGLL-CJNGLKHVSA-N 0 1 399.543 3.459 20 0 GGADMN O=C(CN1CCC(OC[C@H]2CCCCO2)CC1)NC1(c2ccccc2)CCC1 ZINC000177615805 1428811602 /nfs/dbraw/zinc/81/16/02/1428811602.db2.gz NGURAFFMDGBZME-OAQYLSRUSA-N 0 1 386.536 3.232 20 0 GGADMN C[C@@H]1SCC[N@@H+](CCOc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000736301645 1428811666 /nfs/dbraw/zinc/81/16/66/1428811666.db2.gz PNLYORUVOHAGLJ-HNAYVOBHSA-N 0 1 381.505 3.424 20 0 GGADMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177616190 1428811667 /nfs/dbraw/zinc/81/16/67/1428811667.db2.gz JHWDIESNJJLBQC-APWZRJJASA-N 0 1 392.565 3.071 20 0 GGADMN CCc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 ZINC000122500096 1414483044 /nfs/dbraw/zinc/48/30/44/1414483044.db2.gz LTTSTGMSMLIICX-UHFFFAOYSA-N 0 1 388.777 3.355 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820020146 1428806539 /nfs/dbraw/zinc/80/65/39/1428806539.db2.gz CELKCXQFBADIHT-VQTJNVASSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020146 1428806544 /nfs/dbraw/zinc/80/65/44/1428806544.db2.gz CELKCXQFBADIHT-VQTJNVASSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020146 1428806551 /nfs/dbraw/zinc/80/65/51/1428806551.db2.gz CELKCXQFBADIHT-VQTJNVASSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)N(C(=O)CN[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000122532121 1414492220 /nfs/dbraw/zinc/49/22/20/1414492220.db2.gz FVYPLRJCQAWYKJ-JOCHJYFZSA-N 0 1 381.520 3.091 20 0 GGADMN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c12 ZINC000122555199 1414498820 /nfs/dbraw/zinc/49/88/20/1414498820.db2.gz XAXDODFATPFESQ-UHFFFAOYSA-N 0 1 391.475 3.413 20 0 GGADMN CN(C)[C@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(F)c1 ZINC000122588100 1414509688 /nfs/dbraw/zinc/50/96/88/1414509688.db2.gz ZBYQZEBNBPDIEN-MAUKXSAKSA-N 0 1 393.503 3.192 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000122605496 1414514970 /nfs/dbraw/zinc/51/49/70/1414514970.db2.gz VHFOAVZFGKSQLB-RXVVDRJESA-N 0 1 390.572 3.106 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(OCCCOC)CC2)cc1 ZINC000122625691 1414522250 /nfs/dbraw/zinc/52/22/50/1414522250.db2.gz RDNVCMXWMRRFMO-ROUUACIJSA-N 0 1 376.541 3.332 20 0 GGADMN CC(C)[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)N1CCN(C)CC1 ZINC000122625277 1414522290 /nfs/dbraw/zinc/52/22/90/1414522290.db2.gz MBLCPEGKEKPISS-JOCHJYFZSA-N 0 1 398.551 3.263 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(=O)N(C)C)c2)cc1 ZINC000122630834 1414523479 /nfs/dbraw/zinc/52/34/79/1414523479.db2.gz APRWJZZHVGZYQC-FQEVSTJZSA-N 0 1 381.476 3.000 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000122636111 1414525187 /nfs/dbraw/zinc/52/51/87/1414525187.db2.gz IGWUKISDZKZXDM-UHFFFAOYSA-N 0 1 383.345 3.211 20 0 GGADMN O=S(=O)(Cc1c(F)cccc1F)NC[C@H](c1ccccc1)N1CCCC1 ZINC000122648488 1414527969 /nfs/dbraw/zinc/52/79/69/1414527969.db2.gz IMTNAGAZWMGNOV-LJQANCHMSA-N 0 1 380.460 3.221 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(F)c(Cl)cc1F ZINC000122654776 1414530464 /nfs/dbraw/zinc/53/04/64/1414530464.db2.gz KXZBPXUGKBQHBG-IFXJQAMLSA-N 0 1 394.849 3.231 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)n[nH]1 ZINC000122660791 1414531377 /nfs/dbraw/zinc/53/13/77/1414531377.db2.gz UZKXIBQMPOGYAV-CQSZACIVSA-N 0 1 397.504 3.366 20 0 GGADMN COCCCOC1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000122679532 1414536402 /nfs/dbraw/zinc/53/64/02/1414536402.db2.gz KTOCQOYHLJWWLR-SJLPKXTDSA-N 0 1 380.554 3.318 20 0 GGADMN COc1ccccc1C/C(C)=C/C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000177628801 1428816133 /nfs/dbraw/zinc/81/61/33/1428816133.db2.gz HDYMWTVPBDMVKZ-OBGWFSINSA-N 0 1 379.504 3.360 20 0 GGADMN CCn1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC000122695606 1414540681 /nfs/dbraw/zinc/54/06/81/1414540681.db2.gz IUYMZWUGSCKROL-CXAGYDPISA-N 0 1 378.423 3.351 20 0 GGADMN CCn1cc([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC000122696011 1414541180 /nfs/dbraw/zinc/54/11/80/1414541180.db2.gz IUYMZWUGSCKROL-DYVFJYSZSA-N 0 1 378.423 3.351 20 0 GGADMN Cc1c(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cnn1C ZINC000122699174 1414541661 /nfs/dbraw/zinc/54/16/61/1414541661.db2.gz WAOUESGJYXXDEQ-UHFFFAOYSA-N 0 1 380.414 3.095 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000122702735 1414543209 /nfs/dbraw/zinc/54/32/09/1414543209.db2.gz AVWJMFNRBJLPEE-UHFFFAOYSA-N 0 1 392.481 3.153 20 0 GGADMN COCCCOC1CCN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000122712226 1414545497 /nfs/dbraw/zinc/54/54/97/1414545497.db2.gz FVHSNGQFSHPWTQ-SFHVURJKSA-N 0 1 388.552 3.260 20 0 GGADMN CCC(=O)N1CCCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000122723183 1414549269 /nfs/dbraw/zinc/54/92/69/1414549269.db2.gz PJMOCVAOYGLUTQ-IBGZPJMESA-N 0 1 398.503 3.163 20 0 GGADMN CN(C)C(=O)[C@@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000122723235 1414549453 /nfs/dbraw/zinc/54/94/53/1414549453.db2.gz RUOMAZSRSMHFHO-NRFANRHFSA-N 0 1 389.503 3.046 20 0 GGADMN COc1cc(C)ccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000122726064 1414549883 /nfs/dbraw/zinc/54/98/83/1414549883.db2.gz LUJFQNMEAMORRR-UYAOXDASSA-N 0 1 383.492 3.008 20 0 GGADMN COCCCOC1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000122734749 1414552283 /nfs/dbraw/zinc/55/22/83/1414552283.db2.gz PVYQJEOCCWKAGF-MRXNPFEDSA-N 0 1 382.932 3.377 20 0 GGADMN COCC(C)(C)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000122739837 1414553565 /nfs/dbraw/zinc/55/35/65/1414553565.db2.gz VMKFBTOOQTYGJZ-UHFFFAOYSA-N 0 1 382.508 3.015 20 0 GGADMN COc1cccc(C(C)(C)CNC(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000122747034 1414555422 /nfs/dbraw/zinc/55/54/22/1414555422.db2.gz PLFYRBCCZDZJFX-UHFFFAOYSA-N 0 1 395.547 3.150 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000122749049 1414555694 /nfs/dbraw/zinc/55/56/94/1414555694.db2.gz ZEKAQTWYLRKKLC-AWEZNQCLSA-N 0 1 395.908 3.453 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(F)c(F)c1F ZINC000122757895 1414557739 /nfs/dbraw/zinc/55/77/39/1414557739.db2.gz PDNJZAXUVUDKTL-NWDGAFQWSA-N 0 1 387.402 3.078 20 0 GGADMN C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000122760215 1414558233 /nfs/dbraw/zinc/55/82/33/1414558233.db2.gz ROKBSWRCSUVMPM-UHFFFAOYSA-N 0 1 379.807 3.190 20 0 GGADMN O=S(=O)(NC1CCN(CCOC2CCCCCC2)CC1)c1ccc(F)cc1 ZINC000122773969 1414561337 /nfs/dbraw/zinc/56/13/37/1414561337.db2.gz MWLHAPNJEKJFRU-UHFFFAOYSA-N 0 1 398.544 3.308 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)nc3N(C)C)n2)cc1 ZINC000122781291 1414563258 /nfs/dbraw/zinc/56/32/58/1414563258.db2.gz AVRWLBOVNABOKC-UHFFFAOYSA-N 0 1 382.493 3.280 20 0 GGADMN CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820025685 1428818493 /nfs/dbraw/zinc/81/84/93/1428818493.db2.gz BTJHOYRKQOZLBS-LJQANCHMSA-N 0 1 382.443 3.321 20 0 GGADMN CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825443575 1428818927 /nfs/dbraw/zinc/81/89/27/1428818927.db2.gz DTONAPDAPKYIKZ-OAHLLOKOSA-N 0 1 376.468 3.109 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000122816872 1414572544 /nfs/dbraw/zinc/57/25/44/1414572544.db2.gz YVEWOTGBJRXNRC-QVKFZJNVSA-N 0 1 387.501 3.361 20 0 GGADMN O=C1CCCN1CCN1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000122828231 1414575279 /nfs/dbraw/zinc/57/52/79/1414575279.db2.gz IQFPONWXAZNJCH-UHFFFAOYSA-N 0 1 387.524 3.294 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)ncn2C)N1CCCC1 ZINC000122846178 1414579237 /nfs/dbraw/zinc/57/92/37/1414579237.db2.gz HIUGUNZVQHVKTG-HXUWFJFHSA-N 0 1 378.476 3.149 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000122852274 1414580563 /nfs/dbraw/zinc/58/05/63/1414580563.db2.gz XWIJARHHOQVCIG-YLJYHZDGSA-N 0 1 395.503 3.192 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000122852776 1414580846 /nfs/dbraw/zinc/58/08/46/1414580846.db2.gz UXKVEVOWLQQYMG-FXAWDEMLSA-N 0 1 395.503 3.193 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000122853414 1414580936 /nfs/dbraw/zinc/58/09/36/1414580936.db2.gz UXKVEVOWLQQYMG-XLIONFOSSA-N 0 1 395.503 3.193 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cccc(OCCF)c2)N(C)C)c1 ZINC000122852847 1414581068 /nfs/dbraw/zinc/58/10/68/1414581068.db2.gz KWIYYPYPRXVZMP-IBGZPJMESA-N 0 1 375.444 3.468 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(Cl)c1 ZINC000122854961 1414581335 /nfs/dbraw/zinc/58/13/35/1414581335.db2.gz MGCCDTYHIBKKNV-NVXWUHKLSA-N 0 1 385.895 3.366 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CN1Cc1ccccc1 ZINC000122857059 1414582105 /nfs/dbraw/zinc/58/21/05/1414582105.db2.gz AESWZBSRHNXSSC-CJNGLKHVSA-N 0 1 389.858 3.197 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(Cc4ccccc4)c3C)[nH]c21 ZINC000122887099 1414589292 /nfs/dbraw/zinc/58/92/92/1414589292.db2.gz QDLQBYGDYPAPJK-UHFFFAOYSA-N 0 1 389.415 3.155 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000122898595 1414591804 /nfs/dbraw/zinc/59/18/04/1414591804.db2.gz ZCILQAOEBWBUKD-DOTOQJQBSA-N 0 1 383.517 3.126 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000122898078 1414592051 /nfs/dbraw/zinc/59/20/51/1414592051.db2.gz VHULFWPZZOEXEX-SUMWQHHRSA-N 0 1 387.423 3.191 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1Cl ZINC000122900632 1414592402 /nfs/dbraw/zinc/59/24/02/1414592402.db2.gz PQCGCUOUHJRJHR-NVXWUHKLSA-N 0 1 385.895 3.366 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122923303 1414597544 /nfs/dbraw/zinc/59/75/44/1414597544.db2.gz NPAMRVLDKPDNAJ-MJGOQNOKSA-N 0 1 395.503 3.111 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000122922600 1414597769 /nfs/dbraw/zinc/59/77/69/1414597769.db2.gz NPAMRVLDKPDNAJ-PKOBYXMFSA-N 0 1 395.503 3.111 20 0 GGADMN CCc1nc(NC(=O)C=Cc2ccc(OCc3c(C)noc3C)c(OC)c2)n[nH]1 ZINC000122922215 1414597940 /nfs/dbraw/zinc/59/79/40/1414597940.db2.gz DBXRXYQZAXYGBX-VQHVLOKHSA-N 0 1 397.435 3.211 20 0 GGADMN CCc1n[nH]c(NC(=O)C=Cc2ccc(OCc3c(C)noc3C)c(OC)c2)n1 ZINC000122922215 1414597945 /nfs/dbraw/zinc/59/79/45/1414597945.db2.gz DBXRXYQZAXYGBX-VQHVLOKHSA-N 0 1 397.435 3.211 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(C4N=NC(=S)O4)cc3)cc2)CC1 ZINC000122941351 1414601987 /nfs/dbraw/zinc/60/19/87/1414601987.db2.gz 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c1cc(CNc2ccc(CC[NH+]3CCSCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000823751225 1428901318 /nfs/dbraw/zinc/90/13/18/1428901318.db2.gz BHZTUGVOWGMSPK-UHFFFAOYSA-N 0 1 380.521 3.070 20 0 GGADMN COc1cc(CN(C)Cc2ccccc2OCC(=O)N2CCCC2)ccc1O ZINC000125989614 1415330900 /nfs/dbraw/zinc/33/09/00/1415330900.db2.gz SZMLULXOMNQIBB-UHFFFAOYSA-N 0 1 384.476 3.034 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN1CCCCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000125994928 1415332043 /nfs/dbraw/zinc/33/20/43/1415332043.db2.gz CRHYNIIXNOTXLL-IRLDBZIGSA-N 0 1 379.504 3.207 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000735875086 1428902680 /nfs/dbraw/zinc/90/26/80/1428902680.db2.gz PMQGKUASPFGCLQ-UHFFFAOYSA-N 0 1 399.543 3.096 20 0 GGADMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C(N)=O)c1ccccc1 ZINC000126000367 1415333279 /nfs/dbraw/zinc/33/32/79/1415333279.db2.gz AEQXVSDEHVNLOK-PXAZEXFGSA-N 0 1 379.382 3.239 20 0 GGADMN COc1cc(CN(C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)ccc1O ZINC000125998276 1415333302 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GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000126099505 1415357084 /nfs/dbraw/zinc/35/70/84/1415357084.db2.gz GGLSOBDDEQRPNR-QFIPXVFZSA-N 0 1 396.535 3.029 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)N(C)C)c1 ZINC000177933829 1428894838 /nfs/dbraw/zinc/89/48/38/1428894838.db2.gz PYGXUVVELZNKRK-FQEVSTJZSA-N 0 1 398.507 3.130 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000177935364 1428894985 /nfs/dbraw/zinc/89/49/85/1428894985.db2.gz DPUCMJBMZUGHNX-CYBMUJFWSA-N 0 1 395.912 3.391 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000126123962 1415364310 /nfs/dbraw/zinc/36/43/10/1415364310.db2.gz UPHOCKUPNPRPLL-DOTOQJQBSA-N 0 1 387.553 3.105 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000126123962 1415364319 /nfs/dbraw/zinc/36/43/19/1415364319.db2.gz UPHOCKUPNPRPLL-DOTOQJQBSA-N 0 1 387.553 3.105 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)s1 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0 1 391.531 3.267 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN2CCN(CC3CC3)CC2)n(-c2ccccc2)n1 ZINC000126196503 1415382571 /nfs/dbraw/zinc/38/25/71/1415382571.db2.gz RXCBORSDARTDIB-UHFFFAOYSA-N 0 1 395.551 3.136 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000126205155 1415383775 /nfs/dbraw/zinc/38/37/75/1415383775.db2.gz QVSRZPMQNYRZHE-UHFFFAOYSA-N 0 1 382.371 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCN(CC2CC2)CC1 ZINC000126221058 1415387338 /nfs/dbraw/zinc/38/73/38/1415387338.db2.gz ADDMDIYSDQSPLU-QGZVFWFLSA-N 0 1 399.535 3.473 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCN(CC4CC4)CC3)ccc2c1 ZINC000126223775 1415388021 /nfs/dbraw/zinc/38/80/21/1415388021.db2.gz AAZNRWSFIMASJT-GOSISDBHSA-N 0 1 395.547 3.223 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCN(CC3CC3)CC2)cc1 ZINC000126228426 1415388945 /nfs/dbraw/zinc/38/89/45/1415388945.db2.gz JAOJLOYFNIOPGU-JOCHJYFZSA-N 0 1 385.552 3.167 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000126262907 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3.149 20 0 GGADMN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000126279345 1415401752 /nfs/dbraw/zinc/40/17/52/1415401752.db2.gz PNRZDNFJOVITAI-WOJBJXKFSA-N 0 1 399.560 3.425 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)[C@H](C)CC(=O)OC)cc2Cl)CC1 ZINC000126288765 1415405452 /nfs/dbraw/zinc/40/54/52/1415405452.db2.gz PLDYDTJZOARKIP-CQSZACIVSA-N 0 1 381.904 3.010 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(C2N=NC(=S)O2)cc1)c1ccc(F)cc1 ZINC000126294391 1415408808 /nfs/dbraw/zinc/40/88/08/1415408808.db2.gz MVAAPZOMLJCBFE-INIZCTEOSA-N 0 1 386.452 3.197 20 0 GGADMN O=C([C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1)N1CCCCC1 ZINC000126302266 1415411787 /nfs/dbraw/zinc/41/17/87/1415411787.db2.gz LLOFGTOAHYOMIY-ICSRJNTNSA-N 0 1 382.483 3.143 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC000126311956 1415415011 /nfs/dbraw/zinc/41/50/11/1415415011.db2.gz MTXAMQMPAFFSEG-GFCCVEGCSA-N 0 1 393.846 3.433 20 0 GGADMN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(=O)Nc1ccc(F)cc1 ZINC000126318587 1415416269 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0 GGADMN O=S(=O)(NC[C@@H](O)c1cc2ccccc2s1)c1c(F)cc(F)cc1F ZINC000126409356 1415442772 /nfs/dbraw/zinc/44/27/72/1415442772.db2.gz LYAQVRNJNMYDKW-CYBMUJFWSA-N 0 1 387.404 3.331 20 0 GGADMN O=C(NCCN1CCCCC1)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000126441958 1415454330 /nfs/dbraw/zinc/45/43/30/1415454330.db2.gz KSHDCUUPZRECCN-UHFFFAOYSA-N 0 1 385.439 3.159 20 0 GGADMN Cc1[nH]nc2ncc(C(=O)Nc3ccc(CN4CCSCC4)cc3C)cc12 ZINC000126458217 1415458568 /nfs/dbraw/zinc/45/85/68/1415458568.db2.gz UBHYDSRXRCZLSQ-UHFFFAOYSA-N 0 1 381.505 3.376 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000126484273 1415467392 /nfs/dbraw/zinc/46/73/92/1415467392.db2.gz PWVQCUSIGDFNQC-IRXDYDNUSA-N 0 1 392.503 3.311 20 0 GGADMN CCN(CCC(=O)NC(=O)Nc1ccccc1)CC(=O)Nc1c(C)cccc1C ZINC000126487697 1415467995 /nfs/dbraw/zinc/46/79/95/1415467995.db2.gz JRTJEJFRBDPWNK-UHFFFAOYSA-N 0 1 396.491 3.302 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820995636 1428924993 /nfs/dbraw/zinc/92/49/93/1428924993.db2.gz VINHTLBAGCGNNG-HBGVWJBISA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820995636 1428924996 /nfs/dbraw/zinc/92/49/96/1428924996.db2.gz VINHTLBAGCGNNG-HBGVWJBISA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820995636 1428924998 /nfs/dbraw/zinc/92/49/98/1428924998.db2.gz VINHTLBAGCGNNG-HBGVWJBISA-N 0 1 377.492 3.416 20 0 GGADMN COC(=O)C1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000126555153 1415489984 /nfs/dbraw/zinc/48/99/84/1415489984.db2.gz NIKMGAATRVHPTK-UHFFFAOYSA-N 0 1 394.471 3.131 20 0 GGADMN CN(CCC1CCOCC1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000126563246 1415492521 /nfs/dbraw/zinc/49/25/21/1415492521.db2.gz HJZQPOYXPBRSQU-UHFFFAOYSA-N 0 1 377.504 3.248 20 0 GGADMN Cc1nc(C)c([C@@H](C)NCc2ccccc2OCCN2CCOCC2)s1 ZINC000178002557 1428927709 /nfs/dbraw/zinc/92/77/09/1428927709.db2.gz SCCPERYPKBIDIE-OAHLLOKOSA-N 0 1 375.538 3.322 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000126565341 1415493521 /nfs/dbraw/zinc/49/35/21/1415493521.db2.gz IDPASZGJAFCQLK-LEWJYISDSA-N 0 1 387.499 3.411 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2C1 ZINC000178005308 1428928446 /nfs/dbraw/zinc/92/84/46/1428928446.db2.gz JEFQERPRJDEANW-OAHLLOKOSA-N 0 1 395.507 3.230 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2C1 ZINC000178005320 1428928631 /nfs/dbraw/zinc/92/86/31/1428928631.db2.gz JEFQERPRJDEANW-HNNXBMFYSA-N 0 1 395.507 3.230 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2ccc(Cl)cc2Cl)[nH+]1 ZINC000737240314 1428928598 /nfs/dbraw/zinc/92/85/98/1428928598.db2.gz JNRUKCFEWYWITL-ZDUSSCGKSA-N 0 1 379.251 3.331 20 0 GGADMN Cc1csc2nc(C)nc(NCC3CCN(CC(=O)NC(C)(C)C)CC3)c12 ZINC000126581632 1415499383 /nfs/dbraw/zinc/49/93/83/1415499383.db2.gz ZKNVDKAVLPZAKI-UHFFFAOYSA-N 0 1 389.569 3.347 20 0 GGADMN CCOc1ccccc1Oc1ccc(CNCC(C)(C)S(C)(=O)=O)cn1 ZINC000126582518 1415499539 /nfs/dbraw/zinc/49/95/39/1415499539.db2.gz NHVRZIJMPACVHC-UHFFFAOYSA-N 0 1 378.494 3.185 20 0 GGADMN O=C(C1CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1)N1CCSCC1 ZINC000126601804 1415504056 /nfs/dbraw/zinc/50/40/56/1415504056.db2.gz OUNBEMWYJATFOU-ACBHZAAOSA-N 0 1 384.549 3.223 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)CCc2nccs2)N2CCCC2)cc1 ZINC000126608227 1415506454 /nfs/dbraw/zinc/50/64/54/1415506454.db2.gz QGIKCHCVJPVPNG-SFHVURJKSA-N 0 1 388.537 3.173 20 0 GGADMN CN(CC(=O)Nc1cccc(COC2CCCCC2)c1)c1ncnc2[nH]cnc21 ZINC000126618156 1415508433 /nfs/dbraw/zinc/50/84/33/1415508433.db2.gz QCPQEAUVTWECDG-UHFFFAOYSA-N 0 1 394.479 3.277 20 0 GGADMN O=C(Nc1cc(F)ccc1OC(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000178016583 1428938213 /nfs/dbraw/zinc/93/82/13/1428938213.db2.gz GVBUSZARUGFHOR-UHFFFAOYSA-N 0 1 387.402 3.003 20 0 GGADMN COCC(=O)N[C@H](C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)C(C)C ZINC000126625715 1415510244 /nfs/dbraw/zinc/51/02/44/1415510244.db2.gz SSYXVLQQIWEXOX-IBGZPJMESA-N 0 1 398.438 3.095 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN(c4nc(C)c(C)s4)CC3)n[nH]2)cc1 ZINC000126644612 1415515401 /nfs/dbraw/zinc/51/54/01/1415515401.db2.gz GVPVIUBGXMQXKR-UHFFFAOYSA-N 0 1 397.504 3.121 20 0 GGADMN O=C(CCN1CCN(c2cccc(O)c2)CC1)Nc1ccc(Cl)cc1F ZINC000126642954 1415515814 /nfs/dbraw/zinc/51/58/14/1415515814.db2.gz JYJHAGYZGFAVSD-UHFFFAOYSA-N 0 1 377.847 3.336 20 0 GGADMN COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000126657739 1415519458 /nfs/dbraw/zinc/51/94/58/1415519458.db2.gz WGQRDCWQNVSNAK-GOSISDBHSA-N 0 1 392.883 3.179 20 0 GGADMN COc1ccc(Cl)cc1CN(C)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000126657739 1415519463 /nfs/dbraw/zinc/51/94/63/1415519463.db2.gz WGQRDCWQNVSNAK-GOSISDBHSA-N 0 1 392.883 3.179 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820709291 1428940402 /nfs/dbraw/zinc/94/04/02/1428940402.db2.gz GTAJFZYOCUVNTJ-LBPRGKRZSA-N 0 1 391.907 3.152 20 0 GGADMN C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820709291 1428940405 /nfs/dbraw/zinc/94/04/05/1428940405.db2.gz GTAJFZYOCUVNTJ-LBPRGKRZSA-N 0 1 391.907 3.152 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820709291 1428940410 /nfs/dbraw/zinc/94/04/10/1428940410.db2.gz GTAJFZYOCUVNTJ-LBPRGKRZSA-N 0 1 391.907 3.152 20 0 GGADMN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC[C@H](N2CCCC2)C1 ZINC000126675420 1415523991 /nfs/dbraw/zinc/52/39/91/1415523991.db2.gz BPNQQVPFMZHYDS-SFHVURJKSA-N 0 1 390.549 3.103 20 0 GGADMN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3c(O)cccc3F)CC2)cs1 ZINC000126698356 1415530123 /nfs/dbraw/zinc/53/01/23/1415530123.db2.gz BAJRKKZMJAKRGP-CYBMUJFWSA-N 0 1 393.484 3.043 20 0 GGADMN Cc1nc(N2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)sc1C ZINC000126706178 1415532702 /nfs/dbraw/zinc/53/27/02/1415532702.db2.gz LRWLCKZWFNIROP-UHFFFAOYSA-N 0 1 381.505 3.421 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)nn2C)N2CCCC2)cc1 ZINC000126706366 1415532919 /nfs/dbraw/zinc/53/29/19/1415532919.db2.gz HDCLTGYGFYLCIA-IBGZPJMESA-N 0 1 384.524 3.293 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000126719149 1415538077 /nfs/dbraw/zinc/53/80/77/1415538077.db2.gz JACMFWDFWBWIKE-ZIQWTLAOSA-N 0 1 389.561 3.161 20 0 GGADMN CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000178028457 1428943740 /nfs/dbraw/zinc/94/37/40/1428943740.db2.gz ODGNHOFDJTZDJE-CYBMUJFWSA-N 0 1 392.883 3.462 20 0 GGADMN COCCCNC(=O)[C@@H](C)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000126723211 1415539470 /nfs/dbraw/zinc/53/94/70/1415539470.db2.gz MXVHLCQNPLOUHO-QRWLVFNGSA-N 0 1 376.447 3.379 20 0 GGADMN C[C@H](N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)NC(=O)NC1CC1 ZINC000126728753 1415540924 /nfs/dbraw/zinc/54/09/24/1415540924.db2.gz QXUPCQFSKQIHBO-ORAYPTAESA-N 0 1 387.430 3.215 20 0 GGADMN CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C)CN3CCN(C)CC3)cc2)cc1 ZINC000126738168 1415543427 /nfs/dbraw/zinc/54/34/27/1415543427.db2.gz UGLDWUCZRRQHAQ-KRWDZBQOSA-N 0 1 395.503 3.047 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361419 1428945077 /nfs/dbraw/zinc/94/50/77/1428945077.db2.gz WSAHOPGQGGYLFB-RBUKOAKNSA-N 0 1 377.496 3.326 20 0 GGADMN CC1CCC([N@@H+](C)CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000178032350 1428946201 /nfs/dbraw/zinc/94/62/01/1428946201.db2.gz LRDCKHOHCGRPFK-UHFFFAOYSA-N 0 1 386.475 3.128 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)n[nH]1 ZINC000126762273 1415552281 /nfs/dbraw/zinc/55/22/81/1415552281.db2.gz GRERZDWPYXNANB-MRXNPFEDSA-N 0 1 378.270 3.338 20 0 GGADMN CCOC(=O)c1cccc(OC[C@@H](O)CNC(C)(C)c2nc(C)c(C)s2)c1 ZINC000126780909 1415556845 /nfs/dbraw/zinc/55/68/45/1415556845.db2.gz NCQDTJGSVCKRDF-INIZCTEOSA-N 0 1 392.521 3.201 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1)c1cccc(F)c1 ZINC000126786731 1415558386 /nfs/dbraw/zinc/55/83/86/1415558386.db2.gz VZWDKUGMUOUZST-FYYLOGMGSA-N 0 1 397.494 3.312 20 0 GGADMN O=C(Cc1ccc(Cl)cc1Cl)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126788904 1415559545 /nfs/dbraw/zinc/55/95/45/1415559545.db2.gz VTRZKSVTAWXHLC-MSOLQXFVSA-N 0 1 393.314 3.288 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178038881 1428951070 /nfs/dbraw/zinc/95/10/70/1428951070.db2.gz LROZUTVHEMUKCA-UHFFFAOYSA-N 0 1 397.494 3.240 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccnc(N2CCCCC2)c1)c1cccc(F)c1 ZINC000126834140 1415577762 /nfs/dbraw/zinc/57/77/62/1415577762.db2.gz PRPMEHHJXUVMOU-HXUWFJFHSA-N 0 1 399.514 3.313 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)CCc2nccs2)N2CCCC2)c1 ZINC000126847576 1415583951 /nfs/dbraw/zinc/58/39/51/1415583951.db2.gz XRRNLTWHJQXZMN-SFHVURJKSA-N 0 1 388.537 3.173 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCO[C@@H](c3ccccc3)C2)N(C)C)c1 ZINC000126856998 1415586149 /nfs/dbraw/zinc/58/61/49/1415586149.db2.gz UDZGYFCGWLDDPY-NHCUHLMSSA-N 0 1 383.492 3.081 20 0 GGADMN CC(C)(C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000126856540 1415586554 /nfs/dbraw/zinc/58/65/54/1415586554.db2.gz FDMXBSOIAQKMFD-ROUUACIJSA-N 0 1 386.923 3.369 20 0 GGADMN COc1ccc(NC(=O)N2CCN(C(C)C)CC2)cc1OCC(F)(F)F ZINC000126878941 1415593350 /nfs/dbraw/zinc/59/33/50/1415593350.db2.gz LYJJRNHZADRJJY-UHFFFAOYSA-N 0 1 375.391 3.194 20 0 GGADMN CN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)CC1CCCCC1 ZINC000178046427 1428954924 /nfs/dbraw/zinc/95/49/24/1428954924.db2.gz BJIVCJIHLQGOJD-UHFFFAOYSA-N 0 1 386.475 3.129 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 ZINC000178046230 1428954963 /nfs/dbraw/zinc/95/49/63/1428954963.db2.gz AKLLCXPWQBPULL-UHFFFAOYSA-N 0 1 398.507 3.196 20 0 GGADMN O=C(NCc1ncccc1F)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126894194 1415597877 /nfs/dbraw/zinc/59/78/77/1415597877.db2.gz ZTJCMWWNQOOVAG-OAHLLOKOSA-N 0 1 396.388 3.313 20 0 GGADMN COc1ccc(OCCN(C)[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000126894800 1415598089 /nfs/dbraw/zinc/59/80/89/1415598089.db2.gz YKKGTRZDRVFRBU-KRWDZBQOSA-N 0 1 395.503 3.235 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000126897177 1415598430 /nfs/dbraw/zinc/59/84/30/1415598430.db2.gz PHLWUKHDEMKVOQ-DLBZAZTESA-N 0 1 397.500 3.077 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126897177 1415598434 /nfs/dbraw/zinc/59/84/34/1415598434.db2.gz PHLWUKHDEMKVOQ-DLBZAZTESA-N 0 1 397.500 3.077 20 0 GGADMN CCc1nc(CN2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)cs1 ZINC000126898305 1415599198 /nfs/dbraw/zinc/59/91/98/1415599198.db2.gz TUWBVUZMKWYGGK-UHFFFAOYSA-N 0 1 399.495 3.193 20 0 GGADMN Cc1ccc(N2CC[C@@H](N3CCC[C@H](CNC(=O)c4ccccc4)C3)C2=O)cc1 ZINC000178047452 1428955541 /nfs/dbraw/zinc/95/55/41/1428955541.db2.gz QVSCSIWFBSMTCF-DENIHFKCSA-N 0 1 391.515 3.242 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC[C@H](CNC(=O)c4ccccc4)C3)C2=O)cc1 ZINC000178047440 1428955757 /nfs/dbraw/zinc/95/57/57/1428955757.db2.gz QVSCSIWFBSMTCF-KNQAVFIVSA-N 0 1 391.515 3.242 20 0 GGADMN COC(=O)CCn1nc(C)c(CN2CCN(c3ccc(C)c(C)c3)CC2)c1C ZINC000126905891 1415602632 /nfs/dbraw/zinc/60/26/32/1415602632.db2.gz BNHAKUJFSDXIFL-UHFFFAOYSA-N 0 1 384.524 3.002 20 0 GGADMN Cc1ccc(N2CCN(Cc3ccccc3OCC(=O)N(C)C)CC2)cc1C ZINC000126906847 1415602706 /nfs/dbraw/zinc/60/27/06/1415602706.db2.gz CITWISASJPKBBL-UHFFFAOYSA-N 0 1 381.520 3.093 20 0 GGADMN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000126916854 1415607219 /nfs/dbraw/zinc/60/72/19/1415607219.db2.gz PCSYWTFXOSFYGD-UHFFFAOYSA-N 0 1 393.440 3.036 20 0 GGADMN CC(C)[NH+](CCSCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(C)C ZINC000824293405 1428956962 /nfs/dbraw/zinc/95/69/62/1428956962.db2.gz KONMYWSLCVXCKF-UHFFFAOYSA-N 0 1 387.513 3.269 20 0 GGADMN C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178052627 1428957066 /nfs/dbraw/zinc/95/70/66/1428957066.db2.gz AXQSOIPVEHVYGP-RBUKOAKNSA-N 0 1 391.515 3.106 20 0 GGADMN CN1CCO[C@H]([C@H](NC(=O)c2cccc3nc[nH]c32)c2ccc(Cl)cc2)C1 ZINC000126966669 1415620594 /nfs/dbraw/zinc/62/05/94/1415620594.db2.gz QIWGUEFYOATGGT-ZWKOTPCHSA-N 0 1 384.867 3.018 20 0 GGADMN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cc(=O)c2ccccc2o1 ZINC000126971098 1415621043 /nfs/dbraw/zinc/62/10/43/1415621043.db2.gz LEBDPWQDIPOXHK-UHFFFAOYSA-N 0 1 392.455 3.250 20 0 GGADMN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1n[nH]cc1Br ZINC000126971716 1415622326 /nfs/dbraw/zinc/62/23/26/1415622326.db2.gz SHICAPRALYTEER-UHFFFAOYSA-N 0 1 378.148 3.343 20 0 GGADMN Cc1[nH]c2ccc(C(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cc2c1C ZINC000126979148 1415623332 /nfs/dbraw/zinc/62/33/32/1415623332.db2.gz UTCHRWAGAHNNKS-VQTJNVASSA-N 0 1 377.488 3.150 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178058241 1428960376 /nfs/dbraw/zinc/96/03/76/1428960376.db2.gz DBVLIUFQKDNZEC-PZJWPPBQSA-N 0 1 393.531 3.176 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1F)NC[C@H](c1ccccc1)N1CCCC1 ZINC000126984086 1415626240 /nfs/dbraw/zinc/62/62/40/1415626240.db2.gz KWKWNYQPOXMPFJ-LJQANCHMSA-N 0 1 380.460 3.221 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1F)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000126984308 1415626402 /nfs/dbraw/zinc/62/64/02/1415626402.db2.gz KWKWNYQPOXMPFJ-IBGZPJMESA-N 0 1 380.460 3.221 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(Cl)cc2cccnc21 ZINC000126986283 1415627246 /nfs/dbraw/zinc/62/72/46/1415627246.db2.gz PKESHKVCVMBNFV-RTBURBONSA-N 0 1 395.890 3.253 20 0 GGADMN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000126998114 1415630894 /nfs/dbraw/zinc/63/08/94/1415630894.db2.gz HRODSYLRQJZMKZ-SJLPKXTDSA-N 0 1 393.528 3.472 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000127011303 1415635750 /nfs/dbraw/zinc/63/57/50/1415635750.db2.gz ODSUPBVISYNJOJ-RHSMWYFYSA-N 0 1 381.432 3.025 20 0 GGADMN C[C@H](CCc1cccc(F)c1)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127015050 1415636959 /nfs/dbraw/zinc/63/69/59/1415636959.db2.gz LDLYPLASTSMINH-WTNAPCKOSA-N 0 1 384.495 3.146 20 0 GGADMN CN(CCN1C(=O)CNC1=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068195 1428967996 /nfs/dbraw/zinc/96/79/96/1428967996.db2.gz FPYKROHXUPWNCI-SFHVURJKSA-N 0 1 375.831 3.052 20 0 GGADMN Cc1ncc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(Cl)c1Cl ZINC000127033641 1415644426 /nfs/dbraw/zinc/64/44/26/1415644426.db2.gz DCDXDXUKYSNFEC-LSDHHAIUSA-N 0 1 394.302 3.062 20 0 GGADMN CC(C)(C)c1ccc(SCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178070976 1428969332 /nfs/dbraw/zinc/96/93/32/1428969332.db2.gz DAAJLGAFULBJSH-KRWDZBQOSA-N 0 1 376.566 3.257 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](C)[C@H]1C)N1CCCCC1 ZINC000127072416 1415655126 /nfs/dbraw/zinc/65/51/26/1415655126.db2.gz RSKBTQPLZBSWCR-AOIWGVFYSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCC(=O)NCc1ccccc1Cn1cccn1 ZINC000127080614 1415656878 /nfs/dbraw/zinc/65/68/78/1415656878.db2.gz GBDIXOFNZYEUAR-SFHVURJKSA-N 0 1 392.503 3.215 20 0 GGADMN COc1ccccc1C[C@H](C)CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127098003 1415660000 /nfs/dbraw/zinc/66/00/00/1415660000.db2.gz VYLJEBYPRFLDIK-NYVOZVTQSA-N 0 1 396.531 3.016 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)N1CCCCC1 ZINC000127097954 1415660067 /nfs/dbraw/zinc/66/00/67/1415660067.db2.gz FDIRHNQYUZXPBO-NHCUHLMSSA-N 0 1 397.519 3.255 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127110921 1415662559 /nfs/dbraw/zinc/66/25/59/1415662559.db2.gz XAJBYBUEYOFUSJ-HBGVWJBISA-N 0 1 386.923 3.270 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Oc2ccccc2)o1 ZINC000127114301 1415663504 /nfs/dbraw/zinc/66/35/04/1415663504.db2.gz FNYJGXSVJGGFHK-RTBURBONSA-N 0 1 392.455 3.437 20 0 GGADMN CCCNC(=O)C1(NCC(=O)N(C)Cc2ccc(SC)cc2)CCCCC1 ZINC000127120949 1415664267 /nfs/dbraw/zinc/66/42/67/1415664267.db2.gz VAOFAJLYEDSTSO-UHFFFAOYSA-N 0 1 391.581 3.186 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000127121190 1415665090 /nfs/dbraw/zinc/66/50/90/1415665090.db2.gz FJGFUZSIHYYHKQ-QZTJIDSGSA-N 0 1 379.863 3.115 20 0 GGADMN O=C(c1cccnc1Sc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178079318 1428972990 /nfs/dbraw/zinc/97/29/90/1428972990.db2.gz ZYRFNHQWAXFJRS-QGZVFWFLSA-N 0 1 383.517 3.027 20 0 GGADMN CCSCc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127144047 1415670266 /nfs/dbraw/zinc/67/02/66/1415670266.db2.gz HQQOJOAMRMGGOG-SFTDATJTSA-N 0 1 384.545 3.305 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 ZINC000127145748 1415671259 /nfs/dbraw/zinc/67/12/59/1415671259.db2.gz XPKPTYRCUALUNA-OAQYLSRUSA-N 0 1 395.482 3.156 20 0 GGADMN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000127151799 1415672822 /nfs/dbraw/zinc/67/28/22/1415672822.db2.gz RQQOEGWIKXRMHR-RBUKOAKNSA-N 0 1 392.613 3.109 20 0 GGADMN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000127152020 1415672980 /nfs/dbraw/zinc/67/29/80/1415672980.db2.gz RQQOEGWIKXRMHR-MOPGFXCFSA-N 0 1 392.613 3.109 20 0 GGADMN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000127151547 1415673097 /nfs/dbraw/zinc/67/30/97/1415673097.db2.gz RQQOEGWIKXRMHR-OALUTQOASA-N 0 1 392.613 3.109 20 0 GGADMN Cc1cc(C(=O)N2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)c(C)o1 ZINC000127156351 1415674410 /nfs/dbraw/zinc/67/44/10/1415674410.db2.gz GMLCXNQIDPQRMO-UHFFFAOYSA-N 0 1 396.422 3.024 20 0 GGADMN NS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)co1 ZINC000127164449 1415676287 /nfs/dbraw/zinc/67/62/87/1415676287.db2.gz JABXAFVYBTXMQM-UHFFFAOYSA-N 0 1 388.449 3.103 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Cc3csc4ccc(Cl)cc34)C2)CC1 ZINC000127164128 1415676296 /nfs/dbraw/zinc/67/62/96/1415676296.db2.gz OPGDRFHCWRXKFD-QGZVFWFLSA-N 0 1 391.968 3.336 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Cc3csc4ccc(Cl)cc34)C2)CC1 ZINC000127164347 1415676563 /nfs/dbraw/zinc/67/65/63/1415676563.db2.gz OPGDRFHCWRXKFD-KRWDZBQOSA-N 0 1 391.968 3.336 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccccc1 ZINC000127182816 1415680473 /nfs/dbraw/zinc/68/04/73/1415680473.db2.gz VHTRJRURSPCWHZ-ICSRJNTNSA-N 0 1 396.535 3.115 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccccc1 ZINC000127183285 1415680503 /nfs/dbraw/zinc/68/05/03/1415680503.db2.gz VHTRJRURSPCWHZ-AZUAARDMSA-N 0 1 396.535 3.115 20 0 GGADMN C[C@@H](O)C[C@@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccccc1 ZINC000127183058 1415680601 /nfs/dbraw/zinc/68/06/01/1415680601.db2.gz VHTRJRURSPCWHZ-QUCCMNQESA-N 0 1 396.535 3.115 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1)c1ccc(Cl)cc1 ZINC000127189317 1415682239 /nfs/dbraw/zinc/68/22/39/1415682239.db2.gz PJLYBKOBLUTCIC-MPGHIAIKSA-N 0 1 391.943 3.144 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[C@@H](CO)CC1)N1CCCCC1 ZINC000127194541 1415683154 /nfs/dbraw/zinc/68/31/54/1415683154.db2.gz BXGFBFCSKNLYQP-QWFCFKBJSA-N 0 1 389.540 3.073 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000178086837 1428975920 /nfs/dbraw/zinc/97/59/20/1428975920.db2.gz MTNJAHUWKCLADB-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178061126 1428963060 /nfs/dbraw/zinc/96/30/60/1428963060.db2.gz MFZUBPPUWQIUAF-UYAOXDASSA-N 0 1 385.552 3.213 20 0 GGADMN CCNC(=O)c1ccc(C)c(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000127212660 1415687973 /nfs/dbraw/zinc/68/79/73/1415687973.db2.gz VPKIIBOMWMSGBZ-QGZVFWFLSA-N 0 1 394.519 3.313 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)C[C@@H](C)O1 ZINC000127213132 1415689232 /nfs/dbraw/zinc/68/92/32/1415689232.db2.gz DIPCRQQJYCCRNY-INMHGKMJSA-N 0 1 376.932 3.300 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000127217148 1415690196 /nfs/dbraw/zinc/69/01/96/1415690196.db2.gz VASURMKKENURRS-QGZVFWFLSA-N 0 1 383.330 3.061 20 0 GGADMN Cc1cc(CCCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000127215221 1415690450 /nfs/dbraw/zinc/69/04/50/1415690450.db2.gz RBLMHKNMBIVCPP-NHCUHLMSSA-N 0 1 386.561 3.439 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N2CCC(OC3CCCCC3)CC2)C[C@H](C)O1 ZINC000127225315 1415693399 /nfs/dbraw/zinc/69/33/99/1415693399.db2.gz LZRPLQXKVBADOZ-HDICACEKSA-N 0 1 381.561 3.009 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000127233602 1415697694 /nfs/dbraw/zinc/69/76/94/1415697694.db2.gz KFAYXZPRJDKWMJ-RTBURBONSA-N 0 1 393.512 3.175 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1cccs1 ZINC000178091334 1428978147 /nfs/dbraw/zinc/97/81/47/1428978147.db2.gz HCFGDUHVADGNAT-GOSISDBHSA-N 0 1 390.528 3.017 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1cccs1 ZINC000178091318 1428978183 /nfs/dbraw/zinc/97/81/83/1428978183.db2.gz HCFGDUHVADGNAT-SFHVURJKSA-N 0 1 390.528 3.017 20 0 GGADMN O=C(c1ccc(C2SCCCS2)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178093057 1428978216 /nfs/dbraw/zinc/97/82/16/1428978216.db2.gz MXVPOQMOOWDBSB-MRXNPFEDSA-N 0 1 392.590 3.350 20 0 GGADMN CCOC(=O)C1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000127272220 1415712256 /nfs/dbraw/zinc/71/22/56/1415712256.db2.gz AVVGQTMICQUFKJ-UHFFFAOYSA-N 0 1 392.927 3.402 20 0 GGADMN Cc1cc(OC(F)F)c(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)s1 ZINC000127280958 1415716915 /nfs/dbraw/zinc/71/69/15/1415716915.db2.gz KRGBQNJMUQOVBR-LSDHHAIUSA-N 0 1 396.459 3.023 20 0 GGADMN O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178098178 1428980277 /nfs/dbraw/zinc/98/02/77/1428980277.db2.gz AWTJBSZPYPUQAD-HXUWFJFHSA-N 0 1 386.536 3.121 20 0 GGADMN Cc1ccc2[nH]cc(CCC(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)c2c1 ZINC000127287214 1415720476 /nfs/dbraw/zinc/72/04/76/1415720476.db2.gz BXVKQELTSBQZKQ-SFTDATJTSA-N 0 1 391.515 3.161 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1occc1-c1ccc(F)cc1 ZINC000127295256 1415724183 /nfs/dbraw/zinc/72/41/83/1415724183.db2.gz BHNVKDPVIWEDRX-UXHICEINSA-N 0 1 394.446 3.451 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1occc1-c1ccc(F)cc1 ZINC000127295026 1415724376 /nfs/dbraw/zinc/72/43/76/1415724376.db2.gz BHNVKDPVIWEDRX-WOJBJXKFSA-N 0 1 394.446 3.451 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000127300944 1415726839 /nfs/dbraw/zinc/72/68/39/1415726839.db2.gz LMWQEPDOBCBLIL-QZTJIDSGSA-N 0 1 378.394 3.071 20 0 GGADMN OCC[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CCCC1 ZINC000826510107 1428981799 /nfs/dbraw/zinc/98/17/99/1428981799.db2.gz YADHZPCCLBCUQQ-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN OCC[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000826510107 1428981800 /nfs/dbraw/zinc/98/18/00/1428981800.db2.gz YADHZPCCLBCUQQ-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN OCC[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCCC1 ZINC000826510107 1428981803 /nfs/dbraw/zinc/98/18/03/1428981803.db2.gz YADHZPCCLBCUQQ-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN COC(=O)C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)c1ccc(Cl)c(F)c1 ZINC000127307011 1415728920 /nfs/dbraw/zinc/72/89/20/1415728920.db2.gz FMTMZIZXAQTUTG-MRXNPFEDSA-N 0 1 389.814 3.319 20 0 GGADMN CCS[C@@H](C)c1noc(CN(C)C(=O)NC[C@H](c2cccs2)N(C)C)n1 ZINC000178102567 1428982109 /nfs/dbraw/zinc/98/21/09/1428982109.db2.gz FEFHFYABKGMNOW-QWHCGFSZSA-N 0 1 397.570 3.390 20 0 GGADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178102519 1428982330 /nfs/dbraw/zinc/98/23/30/1428982330.db2.gz ULSFDUKCPVTZBE-VQTJNVASSA-N 0 1 394.515 3.302 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000127313067 1415731698 /nfs/dbraw/zinc/73/16/98/1415731698.db2.gz BSQYUKKKSJJNPU-UHFFFAOYSA-N 0 1 392.546 3.353 20 0 GGADMN CCCOc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1OCCC ZINC000178102925 1428982487 /nfs/dbraw/zinc/98/24/87/1428982487.db2.gz WVFVAPGDENWPRO-SFHVURJKSA-N 0 1 390.524 3.059 20 0 GGADMN CCCOc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1OCCC ZINC000178102938 1428982536 /nfs/dbraw/zinc/98/25/36/1428982536.db2.gz WVFVAPGDENWPRO-GOSISDBHSA-N 0 1 390.524 3.059 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(-c2ccccc2F)o1 ZINC000127315465 1415732964 /nfs/dbraw/zinc/73/29/64/1415732964.db2.gz XNCJEASLQPNCHW-MSOLQXFVSA-N 0 1 394.446 3.451 20 0 GGADMN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000178103155 1428982931 /nfs/dbraw/zinc/98/29/31/1428982931.db2.gz TURCZDUUIILGAH-FBUUVDBFSA-N 0 1 376.522 3.304 20 0 GGADMN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000127321786 1415736646 /nfs/dbraw/zinc/73/66/46/1415736646.db2.gz BXBICVXTGVECQY-FCHUYYIVSA-N 0 1 385.552 3.152 20 0 GGADMN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000127321313 1415736693 /nfs/dbraw/zinc/73/66/93/1415736693.db2.gz BXBICVXTGVECQY-VXKWHMMOSA-N 0 1 385.552 3.152 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000127324431 1415737791 /nfs/dbraw/zinc/73/77/91/1415737791.db2.gz NHEMGXFDVNZSLS-KGLIPLIRSA-N 0 1 397.277 3.498 20 0 GGADMN COc1c(C)ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000178107103 1428984464 /nfs/dbraw/zinc/98/44/64/1428984464.db2.gz DEEXEQNDCQCSQD-CTNGQTDRSA-N 0 1 397.519 3.317 20 0 GGADMN CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000127335294 1415742148 /nfs/dbraw/zinc/74/21/48/1415742148.db2.gz LQNBRLVZMSAHDA-HXUWFJFHSA-N 0 1 394.519 3.058 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000127335636 1415742209 /nfs/dbraw/zinc/74/22/09/1415742209.db2.gz GSHPRULJGRCRKL-HUUCEWRRSA-N 0 1 395.286 3.064 20 0 GGADMN Cc1c2cccc(C)c2oc1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127334068 1415742776 /nfs/dbraw/zinc/74/27/76/1415742776.db2.gz HATQNSXNQGRTHN-RBUKOAKNSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1ccc(CN2CCOCC2)cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000127337726 1415743759 /nfs/dbraw/zinc/74/37/59/1415743759.db2.gz IKVDPIZMRSTOCW-UHFFFAOYSA-N 0 1 398.887 3.421 20 0 GGADMN C[C@H](CC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Cc1cccc(F)c1 ZINC000127349975 1415748506 /nfs/dbraw/zinc/74/85/06/1415748506.db2.gz DGDAKQLSTYJAMC-WTOYTKOKSA-N 0 1 384.495 3.146 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000127350164 1415748535 /nfs/dbraw/zinc/74/85/35/1415748535.db2.gz CBNIGQNRNHJACH-UHFFFAOYSA-N 0 1 380.485 3.488 20 0 GGADMN Cc1ccc(-c2nc(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)cs2)c(C)c1 ZINC000178110719 1428986150 /nfs/dbraw/zinc/98/61/50/1428986150.db2.gz OUCGSFRPKAVNLO-KRWDZBQOSA-N 0 1 385.533 3.221 20 0 GGADMN CSCc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1F ZINC000127354685 1415749083 /nfs/dbraw/zinc/74/90/83/1415749083.db2.gz XQYGFFCNEMZMNM-RTBURBONSA-N 0 1 388.508 3.054 20 0 GGADMN CSCc1cc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1F ZINC000127354454 1415749297 /nfs/dbraw/zinc/74/92/97/1415749297.db2.gz XQYGFFCNEMZMNM-RBUKOAKNSA-N 0 1 388.508 3.054 20 0 GGADMN CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178125094 1428991217 /nfs/dbraw/zinc/99/12/17/1428991217.db2.gz IALXZNULAJARGK-UXHICEINSA-N 0 1 376.566 3.125 20 0 GGADMN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000127357927 1415750800 /nfs/dbraw/zinc/75/08/00/1415750800.db2.gz MVISDUATLSLTMY-INIZCTEOSA-N 0 1 388.533 3.423 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000820676380 1428986751 /nfs/dbraw/zinc/98/67/51/1428986751.db2.gz MMNDNFKWNKAIKY-VMDGZTHMSA-N 0 1 379.464 3.281 20 0 GGADMN CCc1ccc(-c2nc(CC(=O)N3CCN(C[C@@H]4CCOC4)CC3)cs2)cc1 ZINC000178114055 1428987175 /nfs/dbraw/zinc/98/71/75/1428987175.db2.gz OSOONTQGXPEBSM-SFHVURJKSA-N 0 1 399.560 3.096 20 0 GGADMN O=C(c1ccccc1COc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178112948 1428987256 /nfs/dbraw/zinc/98/72/56/1428987256.db2.gz JENKDVCKXBYAIU-LJQANCHMSA-N 0 1 380.488 3.060 20 0 GGADMN CCc1ccc(-c2nc(CC(=O)N3CCN(C[C@H]4CCOC4)CC3)cs2)cc1 ZINC000178114064 1428987368 /nfs/dbraw/zinc/98/73/68/1428987368.db2.gz OSOONTQGXPEBSM-GOSISDBHSA-N 0 1 399.560 3.096 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000127370147 1415755674 /nfs/dbraw/zinc/75/56/74/1415755674.db2.gz DPZIKPXYAMKBTF-LJQANCHMSA-N 0 1 389.858 3.173 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(-c2ccoc2)c1 ZINC000127372442 1415755904 /nfs/dbraw/zinc/75/59/04/1415755904.db2.gz UORLIHYKHNBRBP-YADHBBJMSA-N 0 1 376.456 3.312 20 0 GGADMN CCc1c(NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)cnn1CC(C)C ZINC000127377373 1415758751 /nfs/dbraw/zinc/75/87/51/1415758751.db2.gz FYCRCTBUCCVWJG-UHFFFAOYSA-N 0 1 397.483 3.217 20 0 GGADMN CCc1c(NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)cnn1CC(C)C ZINC000127377373 1415758755 /nfs/dbraw/zinc/75/87/55/1415758755.db2.gz FYCRCTBUCCVWJG-UHFFFAOYSA-N 0 1 397.483 3.217 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2ccc3ccn(CC[NH+](C)C)c3c2)cc1C ZINC000127383558 1415760755 /nfs/dbraw/zinc/76/07/55/1415760755.db2.gz NJIJQTUNSPGAJQ-UHFFFAOYSA-N 0 1 387.505 3.321 20 0 GGADMN O=C(c1ccc(OCC2CCCCC2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178116812 1428989149 /nfs/dbraw/zinc/98/91/49/1428989149.db2.gz YPOXKJNYUPOLGP-FQEVSTJZSA-N 0 1 386.536 3.440 20 0 GGADMN COc1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc12 ZINC000127400926 1415766182 /nfs/dbraw/zinc/76/61/82/1415766182.db2.gz JOJJWGUZUQEHBW-RBUKOAKNSA-N 0 1 390.483 3.214 20 0 GGADMN COc1ccc2oc(C(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)c(C)c2c1 ZINC000127408409 1415768740 /nfs/dbraw/zinc/76/87/40/1415768740.db2.gz ZCUUSSCBUMENCL-MSOLQXFVSA-N 0 1 394.471 3.115 20 0 GGADMN O=C(Cc1c[nH]c2cc(Cl)ccc12)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127420558 1415772680 /nfs/dbraw/zinc/77/26/80/1415772680.db2.gz QSVDOVZRNVNDSP-RTBURBONSA-N 0 1 397.906 3.115 20 0 GGADMN CCC(=O)N1CC[C@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000178128514 1428992092 /nfs/dbraw/zinc/99/20/92/1428992092.db2.gz FEUKBFFXEKDQAA-NRFANRHFSA-N 0 1 379.504 3.059 20 0 GGADMN COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000821871756 1428992783 /nfs/dbraw/zinc/99/27/83/1428992783.db2.gz DCILIWMAQPDSDD-QAPCUYQASA-N 0 1 378.480 3.195 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3CCCO[C@@H]3C(C)C)n2)cc1 ZINC000127434152 1415777804 /nfs/dbraw/zinc/77/78/04/1415777804.db2.gz FDYHRMFXYNDNDR-SJLPKXTDSA-N 0 1 388.537 3.440 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(c2ncnc3sccc32)CC1 ZINC000127452417 1415783873 /nfs/dbraw/zinc/78/38/73/1415783873.db2.gz OWIYNZSHGPURHN-UHFFFAOYSA-N 0 1 390.472 3.044 20 0 GGADMN CCCN(C(=O)c1ccccc1NC(=O)CSc1nnc(C)[nH]1)C(C)C ZINC000127456102 1415786097 /nfs/dbraw/zinc/78/60/97/1415786097.db2.gz IKQISIUQSZTYNE-UHFFFAOYSA-N 0 1 375.498 3.105 20 0 GGADMN CCCN(C(=O)c1ccccc1NC(=O)CSc1nc(C)n[nH]1)C(C)C ZINC000127456102 1415786098 /nfs/dbraw/zinc/78/60/98/1415786098.db2.gz IKQISIUQSZTYNE-UHFFFAOYSA-N 0 1 375.498 3.105 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000127467415 1415790421 /nfs/dbraw/zinc/79/04/21/1415790421.db2.gz KMELPYAYKDINLB-IRXDYDNUSA-N 0 1 378.476 3.073 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000127468131 1415791017 /nfs/dbraw/zinc/79/10/17/1415791017.db2.gz KMELPYAYKDINLB-IAGOWNOFSA-N 0 1 378.476 3.073 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)n[nH]2)cc1 ZINC000178138526 1428995949 /nfs/dbraw/zinc/99/59/49/1428995949.db2.gz RHCZKNRRAQMZKO-UHFFFAOYSA-N 0 1 378.432 3.104 20 0 GGADMN Cc1cc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccn1 ZINC000127483164 1415797554 /nfs/dbraw/zinc/79/75/54/1415797554.db2.gz AWGFVKNOIGAVLS-CQSZACIVSA-N 0 1 376.342 3.438 20 0 GGADMN CCOC(=O)CSc1cncc(NC[C@@H](C)N2CCc3sccc3C2)n1 ZINC000178143857 1428997445 /nfs/dbraw/zinc/99/74/45/1428997445.db2.gz JEHXHSJSPCWUNG-CYBMUJFWSA-N 0 1 392.550 3.052 20 0 GGADMN CC1(C)CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000127488804 1415799521 /nfs/dbraw/zinc/79/95/21/1415799521.db2.gz FHJBAGDEAULBML-NRFANRHFSA-N 0 1 392.547 3.246 20 0 GGADMN Cc1nc2ccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)cc2o1 ZINC000127499026 1415801120 /nfs/dbraw/zinc/80/11/20/1415801120.db2.gz FEILOBDECCXERB-UHFFFAOYSA-N 0 1 380.429 3.164 20 0 GGADMN O=C(Nc1ccc2scnc2c1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000178145218 1428998765 /nfs/dbraw/zinc/99/87/65/1428998765.db2.gz XDEDBMASVLHCNK-QFBILLFUSA-N 0 1 396.516 3.301 20 0 GGADMN Cc1cnccc1NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000127529204 1415805264 /nfs/dbraw/zinc/80/52/64/1415805264.db2.gz DWGDTDJXIBHNMO-CQSZACIVSA-N 0 1 376.342 3.438 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000178146275 1428998873 /nfs/dbraw/zinc/99/88/73/1428998873.db2.gz XVMXFYVCACXKPB-UHFFFAOYSA-N 0 1 382.420 3.331 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000127550236 1415808573 /nfs/dbraw/zinc/80/85/73/1415808573.db2.gz FTKRSTMVOCGGAO-UHFFFAOYSA-N 0 1 390.468 3.100 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000178147688 1428999468 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CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCN(C2CCOCC2)CC1 ZINC000127593167 1415815939 /nfs/dbraw/zinc/81/59/39/1415815939.db2.gz JCRNHHWBEMAZBN-GOSISDBHSA-N 0 1 389.540 3.179 20 0 GGADMN CCC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000127603203 1415817543 /nfs/dbraw/zinc/81/75/43/1415817543.db2.gz QOJQMXUJMLXQTD-YJBOKZPZSA-N 0 1 394.947 3.033 20 0 GGADMN CCC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000127603421 1415818088 /nfs/dbraw/zinc/81/80/88/1415818088.db2.gz QOJQMXUJMLXQTD-QAPCUYQASA-N 0 1 394.947 3.033 20 0 GGADMN CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000127613109 1415819892 /nfs/dbraw/zinc/81/98/92/1415819892.db2.gz ZRGHJILFWBQCME-IEBWSBKVSA-N 0 1 394.519 3.229 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCN(C)CC1 ZINC000127634290 1415823751 /nfs/dbraw/zinc/82/37/51/1415823751.db2.gz IDRVBFSTVFPLNE-PGRDOPGGSA-N 0 1 386.584 3.198 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000127639155 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386.418 3.043 20 0 GGADMN CC[C@H](NCC(=O)Nc1cccc(C)c1C)c1ccccc1OCC(=O)N(C)C ZINC000178196137 1429015676 /nfs/dbraw/zinc/01/56/76/1429015676.db2.gz UTTDHXYOCVIOFC-IBGZPJMESA-N 0 1 397.519 3.450 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000128033003 1415897460 /nfs/dbraw/zinc/89/74/60/1415897460.db2.gz SXCKCHVPJFXRBE-INIZCTEOSA-N 0 1 384.245 3.429 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000128064953 1415904548 /nfs/dbraw/zinc/90/45/48/1415904548.db2.gz BFUVQPPMTXBIJR-CQSZACIVSA-N 0 1 387.399 3.210 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000128067878 1415904563 /nfs/dbraw/zinc/90/45/63/1415904563.db2.gz YCHWXBJIXOYGMN-CYBMUJFWSA-N 0 1 399.838 3.209 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000737628643 1429026031 /nfs/dbraw/zinc/02/60/31/1429026031.db2.gz ZUJPGGSBINMZAX-UHFFFAOYSA-N 0 1 388.397 3.356 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CCN1CCOC 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CIQDHUQMFSWAJP-UHFFFAOYSA-N 0 1 388.471 3.035 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000128116980 1415916660 /nfs/dbraw/zinc/91/66/60/1415916660.db2.gz BVNPNPVQJAAWEF-UHFFFAOYSA-N 0 1 385.387 3.110 20 0 GGADMN C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1CC(F)(F)F ZINC000128121669 1415917354 /nfs/dbraw/zinc/91/73/54/1415917354.db2.gz AMYIQICONVDREG-AWEZNQCLSA-N 0 1 379.467 3.202 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(CS(C)(=O)=O)c3)[nH]c2c1 ZINC000128123556 1415918335 /nfs/dbraw/zinc/91/83/35/1415918335.db2.gz PMFCFGKJCJCJRN-LJQANCHMSA-N 0 1 397.500 3.393 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCNC(=O)c3cccs3)[nH]c2c1 ZINC000128126406 1415919047 /nfs/dbraw/zinc/91/90/47/1415919047.db2.gz PCEDDDNGBDKSOV-MRXNPFEDSA-N 0 1 382.489 3.416 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccnc(Br)c2)N2CCCC2)o1 ZINC000128127859 1415919591 /nfs/dbraw/zinc/91/95/91/1415919591.db2.gz PHQZFUIHOMIQTD-CQSZACIVSA-N 0 1 378.270 3.312 20 0 GGADMN Cc1[nH]c(SCC(=O)N2CC[C@H]3OCCC[C@H]3C2)nc1Cc1ccccc1 ZINC000128128387 1415919690 /nfs/dbraw/zinc/91/96/90/1415919690.db2.gz ZDVMFZXMSFECPW-PKOBYXMFSA-N 0 1 385.533 3.429 20 0 GGADMN Cc1[nH]c(SCC(=O)N2CC[C@H]3OCCC[C@@H]3C2)nc1Cc1ccccc1 ZINC000128127983 1415919726 /nfs/dbraw/zinc/91/97/26/1415919726.db2.gz ZDVMFZXMSFECPW-IEBWSBKVSA-N 0 1 385.533 3.429 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(S(C)(=O)=O)c3)[nH]c2c1 ZINC000128129331 1415920291 /nfs/dbraw/zinc/92/02/91/1415920291.db2.gz ZONBKJZRAGKTMP-GOSISDBHSA-N 0 1 383.473 3.252 20 0 GGADMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)NCCOc1cccc(F)c1 ZINC000128144150 1415923904 /nfs/dbraw/zinc/92/39/04/1415923904.db2.gz PNAHHZKOFOOQBN-MDZDMXLPSA-N 0 1 398.463 3.402 20 0 GGADMN O=S(=O)(Nc1ccc(OCCO)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000128181340 1415932875 /nfs/dbraw/zinc/93/28/75/1415932875.db2.gz ZBPQWNUOLFLVLD-UHFFFAOYSA-N 0 1 397.321 3.156 20 0 GGADMN CCC[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCN1CCOC ZINC000128196334 1415936976 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COc1ccc(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1Cl ZINC000128940854 1416109176 /nfs/dbraw/zinc/10/91/76/1416109176.db2.gz OJMMAMWLKIIIEG-UHFFFAOYSA-N 0 1 387.911 3.026 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)n2)cc1 ZINC000128948087 1416110618 /nfs/dbraw/zinc/11/06/18/1416110618.db2.gz UYXHQWRHDXJRJX-YZGWKJHDSA-N 0 1 389.459 3.008 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)n[nH]2)cc1 ZINC000128948087 1416110626 /nfs/dbraw/zinc/11/06/26/1416110626.db2.gz UYXHQWRHDXJRJX-YZGWKJHDSA-N 0 1 389.459 3.008 20 0 GGADMN CC(C)CN1N=C(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)CCC1=O ZINC000128971343 1416116422 /nfs/dbraw/zinc/11/64/22/1416116422.db2.gz GHBILEAMLLIOKF-UHFFFAOYSA-N 0 1 396.495 3.342 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccccc1COC1CCOCC1 ZINC000128973474 1416117050 /nfs/dbraw/zinc/11/70/50/1416117050.db2.gz UXORBPDEWHDYNL-UHFFFAOYSA-N 0 1 383.423 3.328 20 0 GGADMN C[C@@H](NC(=O)c1ccccc1NC(=O)CN(C)C[C@@H]1CCOC1)c1ccccc1 ZINC000178362873 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C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000129092657 1416143291 /nfs/dbraw/zinc/14/32/91/1416143291.db2.gz PACJSMGVAGFMHA-IAQYHMDHSA-N 0 1 384.461 3.233 20 0 GGADMN CCc1nc([C@H]2CN(Cc3ccc(OCc4csc(C)n4)cc3)CCO2)n[nH]1 ZINC000129099736 1416144676 /nfs/dbraw/zinc/14/46/76/1416144676.db2.gz OCENCACIPOUZLS-GOSISDBHSA-N 0 1 399.520 3.285 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CCc2cnn(C)c2C)CC1 ZINC000129108512 1416147062 /nfs/dbraw/zinc/14/70/62/1416147062.db2.gz KDAKXZNPBVICDT-UHFFFAOYSA-N 0 1 389.931 3.095 20 0 GGADMN Cc1coc(-c2cc(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)ccc2C)n1 ZINC000178391890 1429068084 /nfs/dbraw/zinc/06/80/84/1429068084.db2.gz AUPKTIVDSOMPDB-QGZVFWFLSA-N 0 1 384.480 3.144 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000178391234 1429068182 /nfs/dbraw/zinc/06/81/82/1429068182.db2.gz MLHFIZNQYPUHTD-OAQYLSRUSA-N 0 1 384.545 3.349 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000178391247 1429068248 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3.293 20 0 GGADMN CCC[C@@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1nnc2ccccn21 ZINC000129183618 1416165821 /nfs/dbraw/zinc/16/58/21/1416165821.db2.gz NJGPXUYUSJAMAP-RHSMWYFYSA-N 0 1 387.509 3.293 20 0 GGADMN CC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1ccc(F)cc1F ZINC000129189444 1416166539 /nfs/dbraw/zinc/16/65/39/1416166539.db2.gz COKUYTJWMBZVQQ-HNNXBMFYSA-N 0 1 389.427 3.382 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000129223110 1416173819 /nfs/dbraw/zinc/17/38/19/1416173819.db2.gz PGWPOMIOVBLURD-UHFFFAOYSA-N 0 1 386.471 3.219 20 0 GGADMN O=C(CN1CC[C@H](CN2CCOCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000129264071 1416181844 /nfs/dbraw/zinc/18/18/44/1416181844.db2.gz CNMVEZOWCDRSFO-LJQANCHMSA-N 0 1 395.503 3.072 20 0 GGADMN Cc1cc(-c2noc(CCC(=O)Nc3nc(-c4ccco4)n[nH]3)n2)ccc1F ZINC000129275621 1416183891 /nfs/dbraw/zinc/18/38/91/1416183891.db2.gz FWZKTVHHDYXMAC-UHFFFAOYSA-N 0 1 382.355 3.134 20 0 GGADMN CC(C)CN(C(=O)CN1CCC(C(=O)N2CCc3ccccc32)CC1)C(C)C ZINC000129290984 1416186199 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QJLSBAAGUYPBFZ-CYBMUJFWSA-N 0 1 397.306 3.198 20 0 GGADMN Clc1ccc(-c2nnc(CN3CC[C@H](CN4CCOCC4)C3)o2)c(Cl)c1 ZINC000129323553 1416191179 /nfs/dbraw/zinc/19/11/79/1416191179.db2.gz QJLSBAAGUYPBFZ-CYBMUJFWSA-N 0 1 397.306 3.198 20 0 GGADMN CCCCOc1ccccc1CNCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000129333034 1416192513 /nfs/dbraw/zinc/19/25/13/1416192513.db2.gz KSILJQZOYDJADZ-QFIPXVFZSA-N 0 1 381.476 3.210 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000129332156 1416192766 /nfs/dbraw/zinc/19/27/66/1416192766.db2.gz PGIRTYIRWNDHIW-UHFFFAOYSA-N 0 1 386.471 3.349 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CO)N2CCCC2)o1 ZINC000129338311 1416193436 /nfs/dbraw/zinc/19/34/36/1416193436.db2.gz AYURNPKTXXITFF-UXHICEINSA-N 0 1 383.492 3.026 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2cccc(N3CCOCC3)c2)cc1F ZINC000129341277 1416194006 /nfs/dbraw/zinc/19/40/06/1416194006.db2.gz HUDRYQDIZPTMNR-UHFFFAOYSA-N 0 1 386.471 3.046 20 0 GGADMN CC[C@H]1CCCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000129345609 1416194379 /nfs/dbraw/zinc/19/43/79/1416194379.db2.gz WSBBTLLFFKYPKW-AWEZNQCLSA-N 0 1 386.475 3.129 20 0 GGADMN CC(C)[C@@H]1CCCCN1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000129352978 1416195365 /nfs/dbraw/zinc/19/53/65/1416195365.db2.gz VUOXLNMYAXKQBO-SFHVURJKSA-N 0 1 386.475 3.128 20 0 GGADMN CN(Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000178431819 1429076166 /nfs/dbraw/zinc/07/61/66/1429076166.db2.gz XZXXWCSVBVSKKD-CCLHPLFOSA-N 0 1 383.513 3.449 20 0 GGADMN C[C@H](C(=O)NC1CCCCC1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129383718 1416200465 /nfs/dbraw/zinc/20/04/65/1416200465.db2.gz DNHVRTLUECRGDT-QGZVFWFLSA-N 0 1 383.536 3.125 20 0 GGADMN COCCOc1ccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1F ZINC000129396013 1416202714 /nfs/dbraw/zinc/20/27/14/1416202714.db2.gz IRHOGGMORQAXCZ-UHFFFAOYSA-N 0 1 393.434 3.373 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000129397788 1416202810 /nfs/dbraw/zinc/20/28/10/1416202810.db2.gz NXMPVNORPPQQLX-XLIONFOSSA-N 0 1 395.503 3.193 20 0 GGADMN Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000129406531 1416204794 /nfs/dbraw/zinc/20/47/94/1416204794.db2.gz GNLSGNKGKFYFBB-UHFFFAOYSA-N 0 1 391.456 3.345 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccco3)nc2C)c1 ZINC000129410755 1416205217 /nfs/dbraw/zinc/20/52/17/1416205217.db2.gz LGXAANPVVWDEEJ-UHFFFAOYSA-N 0 1 386.429 3.402 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ncoc2-c2ccc(C)cc2)c1 ZINC000129428538 1416207785 /nfs/dbraw/zinc/20/77/85/1416207785.db2.gz RNVIIYDGTWHCBK-UHFFFAOYSA-N 0 1 386.429 3.402 20 0 GGADMN O=C(CCc1nc[nH]n1)O[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000129440421 1416210218 /nfs/dbraw/zinc/21/02/18/1416210218.db2.gz FJZRQKZUWOQOTO-ZDUSSCGKSA-N 0 1 383.279 3.252 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000178448370 1429079748 /nfs/dbraw/zinc/07/97/48/1429079748.db2.gz MQNHXWDSJSMFIN-YADHBBJMSA-N 0 1 399.535 3.371 20 0 GGADMN Cc1noc(C2CC2)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000129452376 1416212038 /nfs/dbraw/zinc/21/20/38/1416212038.db2.gz KYQRCWZRVXPNPG-ZDUSSCGKSA-N 0 1 386.471 3.242 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129506420 1416220236 /nfs/dbraw/zinc/22/02/36/1416220236.db2.gz YVTLCHYWBRWPCC-YSIASYRMSA-N 0 1 384.524 3.432 20 0 GGADMN Cc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(F)ccc2n1 ZINC000129513237 1416221136 /nfs/dbraw/zinc/22/11/36/1416221136.db2.gz MMZJKOQFNAFGIK-UHFFFAOYSA-N 0 1 391.390 3.408 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000129526113 1416222948 /nfs/dbraw/zinc/22/29/48/1416222948.db2.gz KVMKNPJBTYDBNI-QGZVFWFLSA-N 0 1 380.419 3.489 20 0 GGADMN COc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1N1CCCCC1=O ZINC000129549551 1416226328 /nfs/dbraw/zinc/22/63/28/1416226328.db2.gz WHYANAXZUHRKHK-UHFFFAOYSA-N 0 1 382.395 3.480 20 0 GGADMN CC(C)N1CCN(C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129551042 1416226426 /nfs/dbraw/zinc/22/64/26/1416226426.db2.gz HJPXQMAUHRCODG-MSOLQXFVSA-N 0 1 381.561 3.212 20 0 GGADMN C[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC000129597804 1416234550 /nfs/dbraw/zinc/23/45/50/1416234550.db2.gz RMQBQFCWTXKKQA-INIZCTEOSA-N 0 1 392.459 3.144 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3C)[nH]n2)c1 ZINC000129616856 1416237669 /nfs/dbraw/zinc/23/76/69/1416237669.db2.gz VYIOXQKFVUXAAB-UHFFFAOYSA-N 0 1 392.459 3.483 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cc(F)cc3nc[nH]c32)C[C@@H](C)O1 ZINC000129625268 1416239169 /nfs/dbraw/zinc/23/91/69/1416239169.db2.gz JWUKFBXOYNELFY-HUUCEWRRSA-N 0 1 396.466 3.241 20 0 GGADMN CC(C)(C)CCNC(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129642412 1416241878 /nfs/dbraw/zinc/24/18/78/1416241878.db2.gz ARGIIHJEELFRHF-OAHLLOKOSA-N 0 1 383.418 3.055 20 0 GGADMN CC(C)C[C@@H](C)N(C)C(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129646040 1416242656 /nfs/dbraw/zinc/24/26/56/1416242656.db2.gz XWFYUZOVSNGJJL-CXAGYDPISA-N 0 1 397.445 3.396 20 0 GGADMN CN(CCNC(=O)NCCc1nc2c(s1)CCCC2)Cc1ccc(F)cc1 ZINC000129649651 1416243164 /nfs/dbraw/zinc/24/31/64/1416243164.db2.gz OXBPZNXBLSXDIZ-UHFFFAOYSA-N 0 1 390.528 3.135 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000129681297 1416247558 /nfs/dbraw/zinc/24/75/58/1416247558.db2.gz IIAMKRJASWVESK-MRXNPFEDSA-N 0 1 399.516 3.091 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCC2)c1 ZINC000129682330 1416247990 /nfs/dbraw/zinc/24/79/90/1416247990.db2.gz WHBSXANLUXCTIU-AWEZNQCLSA-N 0 1 388.489 3.414 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC2(C1)OCCO2 ZINC000129687076 1416248435 /nfs/dbraw/zinc/24/84/35/1416248435.db2.gz PGSCOQZMSJTRBQ-SFHVURJKSA-N 0 1 393.915 3.025 20 0 GGADMN COC(=O)[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000129686334 1416248445 /nfs/dbraw/zinc/24/84/45/1416248445.db2.gz JJCCGNJGNYNPBR-JKSUJKDBSA-N 0 1 390.365 3.417 20 0 GGADMN CCn1c(CCNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)nc2ccccc21 ZINC000129692562 1416249401 /nfs/dbraw/zinc/24/94/01/1416249401.db2.gz QDABYHHJUBGJQW-HXUWFJFHSA-N 0 1 397.498 3.340 20 0 GGADMN CC(C)CCNC(=O)[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129695597 1416249809 /nfs/dbraw/zinc/24/98/09/1416249809.db2.gz DJMSHYPOLOIHMH-WFASDCNBSA-N 0 1 383.418 3.053 20 0 GGADMN CCCCCNC(=O)[C@@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129694646 1416249835 /nfs/dbraw/zinc/24/98/35/1416249835.db2.gz INPYXSHXVTWAQO-IUODEOHRSA-N 0 1 383.418 3.197 20 0 GGADMN CC(C)CCNC(=O)[C@@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129695806 1416250322 /nfs/dbraw/zinc/25/03/22/1416250322.db2.gz DJMSHYPOLOIHMH-IUODEOHRSA-N 0 1 383.418 3.053 20 0 GGADMN CCC(CC)NC(=O)[C@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129697117 1416250441 /nfs/dbraw/zinc/25/04/41/1416250441.db2.gz XYRRBHIOPYFKAW-XHDPSFHLSA-N 0 1 383.418 3.196 20 0 GGADMN O=C(Nc1ccc(-c2ccccc2)nn1)NC1CCN(Cc2ccccn2)CC1 ZINC000178470264 1429085021 /nfs/dbraw/zinc/08/50/21/1429085021.db2.gz AYPJLZMPIIZDKC-UHFFFAOYSA-N 0 1 388.475 3.325 20 0 GGADMN CCOC(=O)[C@H](CC(C)C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129760680 1416259573 /nfs/dbraw/zinc/25/95/73/1416259573.db2.gz DYLHPOLZQVOUBJ-GJZGRUSLSA-N 0 1 384.402 3.480 20 0 GGADMN COc1cc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)ccc1OCC(N)=O ZINC000178455669 1429081266 /nfs/dbraw/zinc/08/12/66/1429081266.db2.gz ZYKWVVHCCMQTGK-SFHVURJKSA-N 0 1 396.487 3.486 20 0 GGADMN CC[C@@H](c1ccncc1)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000129787888 1416263896 /nfs/dbraw/zinc/26/38/96/1416263896.db2.gz OCIGNBHVZQGNTF-KRWDZBQOSA-N 0 1 382.489 3.454 20 0 GGADMN COc1cc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)ccc1OCC(N)=O ZINC000178455657 1429081473 /nfs/dbraw/zinc/08/14/73/1429081473.db2.gz ZYKWVVHCCMQTGK-GOSISDBHSA-N 0 1 396.487 3.486 20 0 GGADMN O[C@H](CCc1ccccc1)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129794628 1416264973 /nfs/dbraw/zinc/26/49/73/1416264973.db2.gz IUOACCOKBDXQBD-MSOLQXFVSA-N 0 1 390.409 3.496 20 0 GGADMN CN(C)c1cccc(CN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000129820101 1416268731 /nfs/dbraw/zinc/26/87/31/1416268731.db2.gz WPAVZYNGWWHOSL-UHFFFAOYSA-N 0 1 381.524 3.168 20 0 GGADMN Cc1nc(CCNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)sc1C ZINC000129822794 1416269134 /nfs/dbraw/zinc/26/91/34/1416269134.db2.gz PFJMJEMUVDUXNM-UHFFFAOYSA-N 0 1 390.528 3.405 20 0 GGADMN O=C(Cc1ccoc1)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000129821597 1416269213 /nfs/dbraw/zinc/26/92/13/1416269213.db2.gz XDIKEZJUUHSIRU-UHFFFAOYSA-N 0 1 389.499 3.461 20 0 GGADMN COc1ccc(OCCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000129824141 1416269444 /nfs/dbraw/zinc/26/94/44/1416269444.db2.gz HLMCLHKVSLHZNV-UHFFFAOYSA-N 0 1 386.467 3.384 20 0 GGADMN O=[S@@](CCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000129829966 1416270343 /nfs/dbraw/zinc/27/03/43/1416270343.db2.gz LMQUATONBLXLRX-RKOGDMNLSA-N 0 1 394.422 3.310 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000129845868 1416273294 /nfs/dbraw/zinc/27/32/94/1416273294.db2.gz GWSCPVHZARCXBL-UHFFFAOYSA-N 0 1 384.461 3.399 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)cc1F ZINC000129849796 1416274190 /nfs/dbraw/zinc/27/41/90/1416274190.db2.gz MPMHSLJNXXYOBA-SANMLTNESA-N 0 1 381.448 3.086 20 0 GGADMN C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccccc1S(=O)(=O)N(C)C ZINC000129859360 1416275488 /nfs/dbraw/zinc/27/54/88/1416275488.db2.gz HHKYKXBCTBSVHE-XOBRGWDASA-N 0 1 376.497 3.489 20 0 GGADMN O=C(NCc1ccccc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000129870550 1416277320 /nfs/dbraw/zinc/27/73/20/1416277320.db2.gz VYHUWMRFYCXWBU-UYAOXDASSA-N 0 1 387.911 3.022 20 0 GGADMN O=C(NCc1ccccc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000129870794 1416277415 /nfs/dbraw/zinc/27/74/15/1416277415.db2.gz VYHUWMRFYCXWBU-AZUAARDMSA-N 0 1 387.911 3.022 20 0 GGADMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccc(-c2nnc[nH]2)c1 ZINC000129897348 1416281402 /nfs/dbraw/zinc/28/14/02/1416281402.db2.gz TVWBLMXQEBKFOZ-UHFFFAOYSA-N 0 1 380.408 3.305 20 0 GGADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)C4(O)CCC4)cc3)CC2)c1 ZINC000129902065 1416282297 /nfs/dbraw/zinc/28/22/97/1416282297.db2.gz LVTKLSSTIFRBTR-UHFFFAOYSA-N 0 1 379.504 3.171 20 0 GGADMN CCc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)n[nH]1 ZINC000129933313 1416287288 /nfs/dbraw/zinc/28/72/88/1416287288.db2.gz OOYOHVBCHBVZAC-UHFFFAOYSA-N 0 1 377.473 3.418 20 0 GGADMN CC(C)CNC(=O)NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129934419 1416287498 /nfs/dbraw/zinc/28/74/98/1416287498.db2.gz NNMIQAKIANCSLY-UHFFFAOYSA-N 0 1 380.492 3.195 20 0 GGADMN CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000129937972 1416288276 /nfs/dbraw/zinc/28/82/76/1416288276.db2.gz MBCHKLNXJBYESP-MRXNPFEDSA-N 0 1 390.867 3.394 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](CCO)C3CCCCC3)n2)cc1 ZINC000129957153 1416290978 /nfs/dbraw/zinc/29/09/78/1416290978.db2.gz KWDXGISENBSJMF-KRWDZBQOSA-N 0 1 388.537 3.320 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 ZINC000130013607 1416302874 /nfs/dbraw/zinc/30/28/74/1416302874.db2.gz SBZQUXUGSVANAB-CQSZACIVSA-N 0 1 389.849 3.211 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)CN3CCC4(CC3)OCCO4)CC2)cc1 ZINC000130022524 1416304097 /nfs/dbraw/zinc/30/40/97/1416304097.db2.gz RVGWVUMXVKHNGD-UHFFFAOYSA-N 0 1 386.536 3.005 20 0 GGADMN COc1cccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1O ZINC000130038921 1416306607 /nfs/dbraw/zinc/30/66/07/1416306607.db2.gz XYNWDABWPGTZHG-CQSZACIVSA-N 0 1 392.337 3.057 20 0 GGADMN COc1ccc(O)c(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000130054829 1416309532 /nfs/dbraw/zinc/30/95/32/1416309532.db2.gz ABJNYXRBIBASGA-OAHLLOKOSA-N 0 1 392.337 3.057 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000130066421 1416311475 /nfs/dbraw/zinc/31/14/75/1416311475.db2.gz QDFDNFJSPPBVCR-SFHVURJKSA-N 0 1 398.551 3.422 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1 ZINC000130084301 1416314770 /nfs/dbraw/zinc/31/47/70/1416314770.db2.gz PTBGSZXISPOWSA-HNNXBMFYSA-N 0 1 394.450 3.490 20 0 GGADMN CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824072406 1429085838 /nfs/dbraw/zinc/08/58/38/1429085838.db2.gz VLYRPVBCPYVKBW-HKUYNNGSSA-N 0 1 399.470 3.123 20 0 GGADMN Cc1nc2ccc(NC(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cc2s1 ZINC000130099031 1416317400 /nfs/dbraw/zinc/31/74/00/1416317400.db2.gz NEXNOXBCMOQNNR-ZWKOTPCHSA-N 0 1 396.516 3.362 20 0 GGADMN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178474573 1429085986 /nfs/dbraw/zinc/08/59/86/1429085986.db2.gz IAZVMROOIVYWRJ-GCJKJVERSA-N 0 1 397.494 3.160 20 0 GGADMN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178474587 1429086132 /nfs/dbraw/zinc/08/61/32/1429086132.db2.gz IAZVMROOIVYWRJ-XMSQKQJNSA-N 0 1 397.494 3.160 20 0 GGADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)n2)cc1 ZINC000130117698 1416321749 /nfs/dbraw/zinc/32/17/49/1416321749.db2.gz HNYGZGMHKQWAKI-INIZCTEOSA-N 0 1 395.507 3.356 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cccc(Cl)c1F ZINC000130119788 1416322216 /nfs/dbraw/zinc/32/22/16/1416322216.db2.gz RAQPEKVIXMAQIH-CABCVRRESA-N 0 1 377.847 3.236 20 0 GGADMN Cc1noc(C)c1[C@H](C)CC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000130126685 1416323074 /nfs/dbraw/zinc/32/30/74/1416323074.db2.gz GSPLWPHLYBWTLP-QGZVFWFLSA-N 0 1 384.524 3.114 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000130134661 1416324110 /nfs/dbraw/zinc/32/41/10/1416324110.db2.gz KSPCMPLYJXURIC-SUMWQHHRSA-N 0 1 379.867 3.336 20 0 GGADMN C[C@@H](NC(=O)CSCC(F)(F)F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000130131677 1416324350 /nfs/dbraw/zinc/32/43/50/1416324350.db2.gz QEBSFPZQJLVOCY-GFCCVEGCSA-N 0 1 393.450 3.050 20 0 GGADMN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000130146545 1416327116 /nfs/dbraw/zinc/32/71/16/1416327116.db2.gz JSGCMWYYCKMUNB-OXJNMPFZSA-N 0 1 385.508 3.445 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000130151010 1416327959 /nfs/dbraw/zinc/32/79/59/1416327959.db2.gz PEMVCVYZXLKUBB-HZPDHXFCSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000130151010 1416327963 /nfs/dbraw/zinc/32/79/63/1416327963.db2.gz PEMVCVYZXLKUBB-HZPDHXFCSA-N 0 1 377.847 3.236 20 0 GGADMN CCN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1c(C)cccc1C ZINC000130153077 1416328712 /nfs/dbraw/zinc/32/87/12/1416328712.db2.gz LFVZKAAQFGAFOZ-UHFFFAOYSA-N 0 1 393.487 3.250 20 0 GGADMN COCCN1[C@H](C)CN(Cc2csc(-c3ccccc3OC)n2)C[C@@H]1C ZINC000130177683 1416333279 /nfs/dbraw/zinc/33/32/79/1416333279.db2.gz OSZHRJTYLSAKRP-IYBDPMFKSA-N 0 1 375.538 3.360 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2csc(-c3ccoc3)n2)c1 ZINC000130189105 1416335622 /nfs/dbraw/zinc/33/56/22/1416335622.db2.gz YTQDQYVMJZLWGW-UHFFFAOYSA-N 0 1 392.458 3.084 20 0 GGADMN COC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000130191183 1416336426 /nfs/dbraw/zinc/33/64/26/1416336426.db2.gz UBRDSAMYKNSRCW-VIFPVBQESA-N 0 1 380.784 3.288 20 0 GGADMN COC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000130191183 1416336428 /nfs/dbraw/zinc/33/64/28/1416336428.db2.gz UBRDSAMYKNSRCW-VIFPVBQESA-N 0 1 380.784 3.288 20 0 GGADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cccc(-n2ccnn2)c1 ZINC000130194239 1416336882 /nfs/dbraw/zinc/33/68/82/1416336882.db2.gz YSOSREQZOJGTSA-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(C2CCCC2)CC1 ZINC000130198454 1416337775 /nfs/dbraw/zinc/33/77/75/1416337775.db2.gz LSGMOHWMMLNPSQ-UHFFFAOYSA-N 0 1 386.521 3.467 20 0 GGADMN CC(C)c1cc(CNS(=O)(=O)c2c(F)cccc2Br)on1 ZINC000130207171 1416339518 /nfs/dbraw/zinc/33/95/18/1416339518.db2.gz RCOPDJVDCLHKLE-UHFFFAOYSA-N 0 1 377.235 3.178 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000178484417 1429087754 /nfs/dbraw/zinc/08/77/54/1429087754.db2.gz FWBSYZMRVZAKJD-WOJBJXKFSA-N 0 1 385.508 3.399 20 0 GGADMN CCN(CC(=O)N1CCNC1=O)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000130225957 1416342587 /nfs/dbraw/zinc/34/25/87/1416342587.db2.gz RFQORABWWSUZDY-INIZCTEOSA-N 0 1 381.476 3.297 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000130232469 1416343387 /nfs/dbraw/zinc/34/33/87/1416343387.db2.gz AYHCLVLSZFWJIQ-UHFFFAOYSA-N 0 1 394.519 3.422 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000178484386 1429087888 /nfs/dbraw/zinc/08/78/88/1429087888.db2.gz FWBSYZMRVZAKJD-UXHICEINSA-N 0 1 385.508 3.399 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000178484093 1429087963 /nfs/dbraw/zinc/08/79/63/1429087963.db2.gz ZITJCCAQMXPVMB-QZTJIDSGSA-N 0 1 375.538 3.334 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000130238625 1416344390 /nfs/dbraw/zinc/34/43/90/1416344390.db2.gz BLGWRPJCHPENJJ-QGZVFWFLSA-N 0 1 375.856 3.458 20 0 GGADMN CCOC(=O)CC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000130241521 1416345279 /nfs/dbraw/zinc/34/52/79/1416345279.db2.gz MDSCAFVXKDEQTJ-UHFFFAOYSA-N 0 1 386.536 3.133 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130246955 1416345590 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CC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000130344539 1416361796 /nfs/dbraw/zinc/36/17/96/1416361796.db2.gz SSZOYDQZCWPUAF-AWEZNQCLSA-N 0 1 377.448 3.334 20 0 GGADMN CC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000130344539 1416361799 /nfs/dbraw/zinc/36/17/99/1416361799.db2.gz SSZOYDQZCWPUAF-AWEZNQCLSA-N 0 1 377.448 3.334 20 0 GGADMN CN(c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)S(C)(=O)=O ZINC000130351778 1416363395 /nfs/dbraw/zinc/36/33/95/1416363395.db2.gz MIBROINMKRACSC-UHFFFAOYSA-N 0 1 390.486 3.036 20 0 GGADMN CN(C)c1ccnc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000130357353 1416363766 /nfs/dbraw/zinc/36/37/66/1416363766.db2.gz LDGWLVZYFIJDBQ-UHFFFAOYSA-N 0 1 396.472 3.201 20 0 GGADMN CCOC(=O)CC1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000130363170 1416365048 /nfs/dbraw/zinc/36/50/48/1416365048.db2.gz VNHPILXKSSHUJB-JOCHJYFZSA-N 0 1 390.524 3.174 20 0 GGADMN CCC(CC)N(CC(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000178493460 1429089879 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GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000130458190 1416381371 /nfs/dbraw/zinc/38/13/71/1416381371.db2.gz UECIBUDHBDJGNP-UHFFFAOYSA-N 0 1 392.864 3.470 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000130470773 1416383521 /nfs/dbraw/zinc/38/35/21/1416383521.db2.gz COQXLQKXUBWQEO-UHFFFAOYSA-N 0 1 392.864 3.236 20 0 GGADMN CCNC(=O)COc1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1OC ZINC000130474338 1416383906 /nfs/dbraw/zinc/38/39/06/1416383906.db2.gz FCNLQFMFDQONRI-UHFFFAOYSA-N 0 1 378.419 3.120 20 0 GGADMN C[C@H](C(=O)N1CCCC1)N1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000130475106 1416384261 /nfs/dbraw/zinc/38/42/61/1416384261.db2.gz KAKOGVISAKCMBF-QGZVFWFLSA-N 0 1 397.485 3.267 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000130494315 1416387733 /nfs/dbraw/zinc/38/77/33/1416387733.db2.gz SXPSHHUUIUZAPZ-HNNXBMFYSA-N 0 1 388.489 3.208 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000130494502 1416388383 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389.883 3.080 20 0 GGADMN C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H]1c1ccccc1 ZINC000824976806 1429094148 /nfs/dbraw/zinc/09/41/48/1429094148.db2.gz PAKMNPKYLDVUCO-CDHQVMDDSA-N 0 1 388.475 3.055 20 0 GGADMN C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H]1c1ccccc1 ZINC000824976806 1429094156 /nfs/dbraw/zinc/09/41/56/1429094156.db2.gz PAKMNPKYLDVUCO-CDHQVMDDSA-N 0 1 388.475 3.055 20 0 GGADMN Cc1nc(CC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(C)s1 ZINC000130617738 1416411131 /nfs/dbraw/zinc/41/11/31/1416411131.db2.gz OBTUSYNBFBTMQI-GJZGRUSLSA-N 0 1 387.549 3.228 20 0 GGADMN Cc1nc(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)s1 ZINC000130617300 1416411290 /nfs/dbraw/zinc/41/12/90/1416411290.db2.gz OBTUSYNBFBTMQI-GASCZTMLSA-N 0 1 387.549 3.228 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000823774037 1429094584 /nfs/dbraw/zinc/09/45/84/1429094584.db2.gz XWAXGBUZKSTAPX-UHFFFAOYSA-N 0 1 387.553 3.429 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cccc(OC(F)F)c1 ZINC000130659662 1416419465 /nfs/dbraw/zinc/41/94/65/1416419465.db2.gz JDNKPJZSLWVJFN-SJORKVTESA-N 0 1 391.418 3.045 20 0 GGADMN C[N@@H+](CC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)[C@@H]1CCSC1 ZINC000130667908 1416421594 /nfs/dbraw/zinc/42/15/94/1416421594.db2.gz YZJNOTQUPSBZNO-LJQANCHMSA-N 0 1 398.532 3.384 20 0 GGADMN CN(CC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1)[C@@H]1CCSC1 ZINC000130667908 1416421600 /nfs/dbraw/zinc/42/16/00/1416421600.db2.gz YZJNOTQUPSBZNO-LJQANCHMSA-N 0 1 398.532 3.384 20 0 GGADMN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000130676435 1416422905 /nfs/dbraw/zinc/42/29/05/1416422905.db2.gz SWGIJWMLHXCYIH-SFHVURJKSA-N 0 1 393.487 3.485 20 0 GGADMN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000130676645 1416422990 /nfs/dbraw/zinc/42/29/90/1416422990.db2.gz SWGIJWMLHXCYIH-GOSISDBHSA-N 0 1 393.487 3.485 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)c1 ZINC000130694067 1416426852 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O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2c(Cl)n1 ZINC000178580575 1429113108 /nfs/dbraw/zinc/11/31/08/1429113108.db2.gz IYWVEXRCQGPANA-GOSISDBHSA-N 0 1 395.890 3.037 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131822176 1416629047 /nfs/dbraw/zinc/62/90/47/1416629047.db2.gz AIBMFOOAFAIAQX-LJQANCHMSA-N 0 1 398.503 3.227 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131822373 1416629244 /nfs/dbraw/zinc/62/92/44/1416629244.db2.gz AIBMFOOAFAIAQX-IBGZPJMESA-N 0 1 398.503 3.227 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](O)c2cccc(F)c2)c(OC)c1 ZINC000131828134 1416630158 /nfs/dbraw/zinc/63/01/58/1416630158.db2.gz MVBPWMGAYLMBNX-MRXNPFEDSA-N 0 1 384.245 3.429 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)c2cccc(F)c2)c(OC)c1 ZINC000131827911 1416630518 /nfs/dbraw/zinc/63/05/18/1416630518.db2.gz MVBPWMGAYLMBNX-INIZCTEOSA-N 0 1 384.245 3.429 20 0 GGADMN O=S(=O)(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1cc2ccccc2o1 ZINC000131836238 1416631988 /nfs/dbraw/zinc/63/19/88/1416631988.db2.gz HHSSIPPZQQASOW-UHFFFAOYSA-N 0 1 399.407 3.226 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131853187 1416635282 /nfs/dbraw/zinc/63/52/82/1416635282.db2.gz GGERLYSXIZNWSZ-ZHALLVOQSA-N 0 1 392.565 3.318 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1 ZINC000131852210 1416635306 /nfs/dbraw/zinc/63/53/06/1416635306.db2.gz WQFMDFFPDBYNIW-UHFFFAOYSA-N 0 1 399.472 3.428 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000131866409 1416637653 /nfs/dbraw/zinc/63/76/53/1416637653.db2.gz AZKRCQCYCBYANX-OXJNMPFZSA-N 0 1 395.478 3.375 20 0 GGADMN CN(C)C(=O)Sc1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131868828 1416638103 /nfs/dbraw/zinc/63/81/03/1416638103.db2.gz PFWQZHJEBOOHCI-QGZVFWFLSA-N 0 1 378.538 3.478 20 0 GGADMN CN(CC(=O)NCCc1cccc(OCc2ccccc2)c1)[C@H]1CCSC1 ZINC000131873118 1416639081 /nfs/dbraw/zinc/63/90/81/1416639081.db2.gz BPFQDIHKBWUKSR-FQEVSTJZSA-N 0 1 384.545 3.362 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000131878368 1416640026 /nfs/dbraw/zinc/64/00/26/1416640026.db2.gz QGLWELIXZZKWHS-UHFFFAOYSA-N 0 1 384.505 3.002 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000131878368 1416640030 /nfs/dbraw/zinc/64/00/30/1416640030.db2.gz QGLWELIXZZKWHS-UHFFFAOYSA-N 0 1 384.505 3.002 20 0 GGADMN COc1cccc(CCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000131879037 1416640726 /nfs/dbraw/zinc/64/07/26/1416640726.db2.gz ICJGTTORRBWESG-KRWDZBQOSA-N 0 1 382.508 3.158 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(OC[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000131890696 1416642790 /nfs/dbraw/zinc/64/27/90/1416642790.db2.gz VIFYFZWZIZVFLV-SIKLNZKXSA-N 0 1 386.536 3.258 20 0 GGADMN O=S(=O)(c1cccc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000131919396 1416651576 /nfs/dbraw/zinc/65/15/76/1416651576.db2.gz PGZVVUCBUZEFQV-MRXNPFEDSA-N 0 1 382.489 3.404 20 0 GGADMN Cc1ccc(-n2cc(C(=O)N3CCCN(Cc4ccccc4)C[C@@H]3C)nn2)cc1 ZINC000131957858 1416659673 /nfs/dbraw/zinc/65/96/73/1416659673.db2.gz BHCLDYSBCLQDJM-IBGZPJMESA-N 0 1 389.503 3.312 20 0 GGADMN Cc1ccc(-n2cc(C(=O)N3CCCN(Cc4ccccc4)C[C@H]3C)nn2)cc1 ZINC000131958140 1416659923 /nfs/dbraw/zinc/65/99/23/1416659923.db2.gz BHCLDYSBCLQDJM-LJQANCHMSA-N 0 1 389.503 3.312 20 0 GGADMN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000131971838 1416663723 /nfs/dbraw/zinc/66/37/23/1416663723.db2.gz XFHKUDLVNGCSOZ-OBJOEFQTSA-N 0 1 396.365 3.474 20 0 GGADMN CSCc1ccc(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000131981029 1416665765 /nfs/dbraw/zinc/66/57/65/1416665765.db2.gz FJZWCNLVDLPNDK-UXHICEINSA-N 0 1 385.533 3.307 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCN(CC2CC2)CC1 ZINC000178597281 1429117222 /nfs/dbraw/zinc/11/72/22/1429117222.db2.gz KAXXOMXTTUHUBQ-CQSZACIVSA-N 0 1 388.512 3.304 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)[C@H](C)Sc3ccccn3)CC2)c1 ZINC000131994514 1416668796 /nfs/dbraw/zinc/66/87/96/1416668796.db2.gz XIANZFDYEMCFQJ-IBGZPJMESA-N 0 1 398.576 3.199 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)[C@@H](C)Sc3ccccn3)CC2)c1 ZINC000131994278 1416668978 /nfs/dbraw/zinc/66/89/78/1416668978.db2.gz XIANZFDYEMCFQJ-LJQANCHMSA-N 0 1 398.576 3.199 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cc(F)ccc1Cl ZINC000132002331 1416671157 /nfs/dbraw/zinc/67/11/57/1416671157.db2.gz XWGWNVNUHACQOY-CVEARBPZSA-N 0 1 377.847 3.236 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000132007499 1416671959 /nfs/dbraw/zinc/67/19/59/1416671959.db2.gz UWUVJUQPAPCGQI-QGZVFWFLSA-N 0 1 386.521 3.307 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000132007327 1416672105 /nfs/dbraw/zinc/67/21/05/1416672105.db2.gz UWUVJUQPAPCGQI-KRWDZBQOSA-N 0 1 386.521 3.307 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(OCC(F)F)n1 ZINC000132009673 1416673170 /nfs/dbraw/zinc/67/31/70/1416673170.db2.gz BOXLDBNEAZSZJT-UHFFFAOYSA-N 0 1 390.434 3.038 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(C(F)(F)F)nc3)n2)cc1 ZINC000132012849 1416673677 /nfs/dbraw/zinc/67/36/77/1416673677.db2.gz GXCBTNDUBUCOIG-UHFFFAOYSA-N 0 1 392.341 3.216 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc(C(F)(F)F)nc3)n[nH]2)cc1 ZINC000132012849 1416673682 /nfs/dbraw/zinc/67/36/82/1416673682.db2.gz GXCBTNDUBUCOIG-UHFFFAOYSA-N 0 1 392.341 3.216 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000132014920 1416674220 /nfs/dbraw/zinc/67/42/20/1416674220.db2.gz XKUNEZWPMNMTMG-MRXNPFEDSA-N 0 1 376.522 3.480 20 0 GGADMN Cc1cc2cc(NC(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)ccc2[nH]1 ZINC000132035845 1416679475 /nfs/dbraw/zinc/67/94/75/1416679475.db2.gz SGKJSVSUCLPWRI-PMACEKPBSA-N 0 1 378.476 3.233 20 0 GGADMN CO[C@]1(C)C[C@H](N(C)C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000132055571 1416683548 /nfs/dbraw/zinc/68/35/48/1416683548.db2.gz DCPKQTCLCUEZJU-ORAYPTAESA-N 0 1 394.422 3.101 20 0 GGADMN CO[C@@]1(C)C[C@H](N(C)C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000132055996 1416684389 /nfs/dbraw/zinc/68/43/89/1416684389.db2.gz DCPKQTCLCUEZJU-DJJJIMSYSA-N 0 1 394.422 3.101 20 0 GGADMN Cc1ccccc1OCCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000132056560 1416684456 /nfs/dbraw/zinc/68/44/56/1416684456.db2.gz DPHFGWQOWFFHAF-GOSISDBHSA-N 0 1 382.508 3.294 20 0 GGADMN CCCN(C(=O)c1cccs1)C1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000132070946 1416688012 /nfs/dbraw/zinc/68/80/12/1416688012.db2.gz SZHOYHBHTWBIKP-OAHLLOKOSA-N 0 1 379.570 3.368 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CC3CCSCC3)cc2)C[C@@H](C)O1 ZINC000132078964 1416689972 /nfs/dbraw/zinc/68/99/72/1416689972.db2.gz LJDMVGCWUZLBEO-IAGOWNOFSA-N 0 1 376.566 3.445 20 0 GGADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000132112911 1416699277 /nfs/dbraw/zinc/69/92/77/1416699277.db2.gz ATHNEPSJQNGXOY-FQEVSTJZSA-N 0 1 388.552 3.331 20 0 GGADMN C[C@H](NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1)C(=O)N(C)C ZINC000132134474 1416704640 /nfs/dbraw/zinc/70/46/40/1416704640.db2.gz DRSRRNNEIPMDST-AWEZNQCLSA-N 0 1 399.457 3.047 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000132140326 1416706469 /nfs/dbraw/zinc/70/64/69/1416706469.db2.gz FFOCREKCJOAYMB-UHFFFAOYSA-N 0 1 394.822 3.148 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000132143665 1416707168 /nfs/dbraw/zinc/70/71/68/1416707168.db2.gz NXFJOMPMDSVCSY-IRXDYDNUSA-N 0 1 383.492 3.079 20 0 GGADMN COCCOc1cc(C)ccc1CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000132175222 1416711741 /nfs/dbraw/zinc/71/17/41/1416711741.db2.gz QLDNRPIDFLFNNA-OAQYLSRUSA-N 0 1 382.504 3.301 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)NCc2cccc(N3CC=CC3)c2)cc1F ZINC000132194430 1416715159 /nfs/dbraw/zinc/71/51/59/1416715159.db2.gz DRXICOZNRCLLFR-UHFFFAOYSA-N 0 1 382.483 3.263 20 0 GGADMN O=C(CN[C@@]1(CO)CCc2ccccc21)NCCc1cccc(Cl)c1Cl ZINC000132205684 1416716793 /nfs/dbraw/zinc/71/67/93/1416716793.db2.gz PFYMNIKBPBUCOQ-HXUWFJFHSA-N 0 1 393.314 3.076 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000132225836 1416720411 /nfs/dbraw/zinc/72/04/11/1416720411.db2.gz UMDDGUONGIPXLO-MRXNPFEDSA-N 0 1 384.929 3.085 20 0 GGADMN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1(C)C ZINC000132240240 1416722054 /nfs/dbraw/zinc/72/20/54/1416722054.db2.gz RGDGLILVLXDBLT-MDASCCDHSA-N 0 1 389.515 3.006 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@H]1CCOC2(CCCCC2)C1)N1CCOCC1 ZINC000132247401 1416723307 /nfs/dbraw/zinc/72/33/07/1416723307.db2.gz VKFJEXFWURYESY-PMACEKPBSA-N 0 1 395.588 3.305 20 0 GGADMN O=C(CN[C@]1(CO)CCc2ccccc21)Nc1ccc(SC(F)F)cc1 ZINC000132256129 1416724988 /nfs/dbraw/zinc/72/49/88/1416724988.db2.gz VNCXBWFWZDCLKY-IBGZPJMESA-N 0 1 378.444 3.363 20 0 GGADMN CCCNC(=O)C1(NCC(=O)N(C)[C@H](C)c2ccccc2OC)CCCCC1 ZINC000132322405 1416735845 /nfs/dbraw/zinc/73/58/45/1416735845.db2.gz AVQQMPBVVPQSHW-QGZVFWFLSA-N 0 1 389.540 3.033 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000132353239 1416743357 /nfs/dbraw/zinc/74/33/57/1416743357.db2.gz ZAAOWPHXLOIFHO-KRWDZBQOSA-N 0 1 383.330 3.061 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000132357066 1416744345 /nfs/dbraw/zinc/74/43/45/1416744345.db2.gz FMKJTSAUCQNKDI-HNNXBMFYSA-N 0 1 375.425 3.454 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)CSc3nc(C4CC4)n[nH]3)cc2)C[C@H](C)O1 ZINC000132362647 1416744668 /nfs/dbraw/zinc/74/46/68/1416744668.db2.gz GMLMRHVGVCVASG-STQMWFEESA-N 0 1 387.509 3.027 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)CSc3n[nH]c(C4CC4)n3)cc2)C[C@H](C)O1 ZINC000132362647 1416744677 /nfs/dbraw/zinc/74/46/77/1416744677.db2.gz GMLMRHVGVCVASG-STQMWFEESA-N 0 1 387.509 3.027 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CSc3nc(C4CC4)n[nH]3)cc2)C[C@@H](C)O1 ZINC000132362879 1416744905 /nfs/dbraw/zinc/74/49/05/1416744905.db2.gz GMLMRHVGVCVASG-CHWSQXEVSA-N 0 1 387.509 3.027 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CSc3n[nH]c(C4CC4)n3)cc2)C[C@@H](C)O1 ZINC000132362879 1416744917 /nfs/dbraw/zinc/74/49/17/1416744917.db2.gz GMLMRHVGVCVASG-CHWSQXEVSA-N 0 1 387.509 3.027 20 0 GGADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(=O)N[C@@H]1C=CCCC1 ZINC000132371144 1416747484 /nfs/dbraw/zinc/74/74/84/1416747484.db2.gz FHDSEAQQSPVDST-QGZVFWFLSA-N 0 1 387.443 3.302 20 0 GGADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)N[C@@H]1C=CCCC1 ZINC000132371144 1416747488 /nfs/dbraw/zinc/74/74/88/1416747488.db2.gz FHDSEAQQSPVDST-QGZVFWFLSA-N 0 1 387.443 3.302 20 0 GGADMN COc1cc(NC2CCN(CC[S@@](=O)c3ccccc3)CC2)cc(OC)c1 ZINC000132396753 1416752143 /nfs/dbraw/zinc/75/21/43/1416752143.db2.gz ZCMUHJDNPZAMLC-MHZLTWQESA-N 0 1 388.533 3.388 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)/C=C/SCc1ccco1 ZINC000132405949 1416753879 /nfs/dbraw/zinc/75/38/79/1416753879.db2.gz XOUPKDZBJRQIEY-IKFRKZOMSA-N 0 1 385.533 3.353 20 0 GGADMN COc1ccc2c(c1)C=C(C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)CO2 ZINC000132419423 1416756336 /nfs/dbraw/zinc/75/63/36/1416756336.db2.gz IOGPIBUUAWJZKB-LJQANCHMSA-N 0 1 382.460 3.326 20 0 GGADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@]1(CO)CCc2ccccc21 ZINC000132418814 1416756535 /nfs/dbraw/zinc/75/65/35/1416756535.db2.gz NFKKTVABRHUOAO-WAIKUNEKSA-N 0 1 378.472 3.376 20 0 GGADMN CCN(C(=O)CN[C@@]1(CO)CCc2ccccc21)c1nc2ccccc2s1 ZINC000132421771 1416756753 /nfs/dbraw/zinc/75/67/53/1416756753.db2.gz KXMZJLGWKDDRPZ-OAQYLSRUSA-N 0 1 381.501 3.073 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)N2CCCC2)o1 ZINC000132423911 1416757784 /nfs/dbraw/zinc/75/77/84/1416757784.db2.gz RITCFOWBGNBFAM-OALUTQOASA-N 0 1 389.540 3.268 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCc4c3cccc4O)n2)cc1 ZINC000132455265 1416764130 /nfs/dbraw/zinc/76/41/30/1416764130.db2.gz ILNMCMXSPXTIEM-MRXNPFEDSA-N 0 1 380.473 3.382 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@@H](CC)CCO)cc2Cl)CC1 ZINC000132462831 1416766040 /nfs/dbraw/zinc/76/60/40/1416766040.db2.gz GWOBWBUPIUYXDF-INIZCTEOSA-N 0 1 396.963 3.402 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000132478533 1416769782 /nfs/dbraw/zinc/76/97/82/1416769782.db2.gz YGVAPLWYKVTMDM-IBGZPJMESA-N 0 1 383.492 3.295 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000132478769 1416769969 /nfs/dbraw/zinc/76/99/69/1416769969.db2.gz YGVAPLWYKVTMDM-LJQANCHMSA-N 0 1 383.492 3.295 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000132501679 1416774163 /nfs/dbraw/zinc/77/41/63/1416774163.db2.gz WDTULQVQRQWOFA-QUCCMNQESA-N 0 1 394.581 3.103 20 0 GGADMN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000132510904 1416775622 /nfs/dbraw/zinc/77/56/22/1416775622.db2.gz CTTNBJFXBREJNG-UHFFFAOYSA-N 0 1 385.445 3.077 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000132523598 1416777463 /nfs/dbraw/zinc/77/74/63/1416777463.db2.gz INMMBIUKGBNKBP-OXJNMPFZSA-N 0 1 387.499 3.241 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCN(c3cccs3)CC2)N2CCCC2)o1 ZINC000132525420 1416777787 /nfs/dbraw/zinc/77/77/87/1416777787.db2.gz LEUSUBGLWGRVQQ-QGZVFWFLSA-N 0 1 388.537 3.318 20 0 GGADMN COC(=O)c1cccc(CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000132524225 1416777943 /nfs/dbraw/zinc/77/79/43/1416777943.db2.gz MYDUCHCCARPQKB-GOSISDBHSA-N 0 1 385.464 3.011 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCCc2cc(F)ccc21 ZINC000132544159 1416782216 /nfs/dbraw/zinc/78/22/16/1416782216.db2.gz MCRPRSWMRDYNCX-UHFFFAOYSA-N 0 1 383.448 3.194 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000178645305 1429128236 /nfs/dbraw/zinc/12/82/36/1429128236.db2.gz OOVBFUDYZPUFEL-HXUWFJFHSA-N 0 1 396.539 3.022 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000178646558 1429128244 /nfs/dbraw/zinc/12/82/44/1429128244.db2.gz XNCYDIBSPDDJPH-HNNXBMFYSA-N 0 1 382.464 3.200 20 0 GGADMN O=C(CN[C@]1(CO)CCc2ccccc21)Nc1ccc(N2CCCCCC2)cc1 ZINC000132550047 1416783129 /nfs/dbraw/zinc/78/31/29/1416783129.db2.gz MNXQORCQEJVDCP-DEOSSOPVSA-N 0 1 393.531 3.429 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000132554993 1416784372 /nfs/dbraw/zinc/78/43/72/1416784372.db2.gz WBLQWSXPOMTXJQ-CQSZACIVSA-N 0 1 397.454 3.498 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC000736705992 1429129626 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Cc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)s1 ZINC000132749812 1416810777 /nfs/dbraw/zinc/81/07/77/1416810777.db2.gz DAIAQUYLNNTQFL-UHFFFAOYSA-N 0 1 394.500 3.353 20 0 GGADMN C[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC000132747510 1416810859 /nfs/dbraw/zinc/81/08/59/1416810859.db2.gz GZHOQCPFZAQSAT-CQSZACIVSA-N 0 1 383.895 3.294 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cc(F)cc(Cl)c1 ZINC000132772043 1416813273 /nfs/dbraw/zinc/81/32/73/1416813273.db2.gz CJIYHOCXGZBVQS-MSOLQXFVSA-N 0 1 377.847 3.236 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(C)cc4cccnc43)cc21 ZINC000132774738 1416813745 /nfs/dbraw/zinc/81/37/45/1416813745.db2.gz PMCXIHYBNSWKDB-UHFFFAOYSA-N 0 1 381.457 3.253 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000132790959 1416815398 /nfs/dbraw/zinc/81/53/98/1416815398.db2.gz FMNWQSATZXXKAE-HUUCEWRRSA-N 0 1 383.895 3.294 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000132791426 1416815445 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Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3nc(-c4ccco4)n[nH]3)C2)c1 ZINC000132853989 1416823427 /nfs/dbraw/zinc/82/34/27/1416823427.db2.gz MBQWPCDFMFZZFN-HNNXBMFYSA-N 0 1 393.447 3.172 20 0 GGADMN CC(C)CNC(=O)C1(NCc2cccc(C(=O)N3CCCCC3)c2)CCCC1 ZINC000132861512 1416824490 /nfs/dbraw/zinc/82/44/90/1416824490.db2.gz FHNIPEMXGHPOCS-UHFFFAOYSA-N 0 1 385.552 3.487 20 0 GGADMN C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Oc1ccccc1 ZINC000132887278 1416827425 /nfs/dbraw/zinc/82/74/25/1416827425.db2.gz WYOTUEYDOQJAOQ-MSOLQXFVSA-N 0 1 382.508 3.374 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000132901101 1416828825 /nfs/dbraw/zinc/82/88/25/1416828825.db2.gz BMLUCXCNIDEORT-LJQANCHMSA-N 0 1 395.547 3.051 20 0 GGADMN C[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@@H]1CO ZINC000132901866 1416828829 /nfs/dbraw/zinc/82/88/29/1416828829.db2.gz ZVHHIXJZDJGOGZ-RHSMWYFYSA-N 0 1 387.505 3.032 20 0 GGADMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822350711 1429132591 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GGADMN Oc1cccc(N2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000132964623 1416836304 /nfs/dbraw/zinc/83/63/04/1416836304.db2.gz RLPFOWZOCUQDCW-UHFFFAOYSA-N 0 1 384.867 3.460 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000132969717 1416837116 /nfs/dbraw/zinc/83/71/16/1416837116.db2.gz XCVUTUUYXLQTAK-DEKZCIIQSA-N 0 1 386.517 3.338 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)CNC1(C(=O)NCC2CC2)CCCC1)c1cccs1 ZINC000132989727 1416839428 /nfs/dbraw/zinc/83/94/28/1416839428.db2.gz FJBKLRAQXYGICP-SFHVURJKSA-N 0 1 391.581 3.380 20 0 GGADMN O=C(CNC1(C(=O)NCC2CC2)CCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000133000607 1416840723 /nfs/dbraw/zinc/84/07/23/1416840723.db2.gz ANXKWWFVRMAMBI-UHFFFAOYSA-N 0 1 383.414 3.073 20 0 GGADMN C[C@H](CNC(=O)N(C)Cc1cccc(N(C)C)c1)N1CCc2ccccc2C1 ZINC000133013547 1416842194 /nfs/dbraw/zinc/84/21/94/1416842194.db2.gz HIKBKHVXOLCRCM-GOSISDBHSA-N 0 1 380.536 3.341 20 0 GGADMN O=C(CNC1(C(=O)NCC2CC2)CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000133016195 1416842544 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C[C@H](CCCO)NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000133131014 1416855435 /nfs/dbraw/zinc/85/54/35/1416855435.db2.gz RRTNVUDQSLJGHA-QGZVFWFLSA-N 0 1 390.528 3.174 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000133134125 1416855881 /nfs/dbraw/zinc/85/58/81/1416855881.db2.gz KCUVWZWCUKEOFT-DEOSSOPVSA-N 0 1 398.466 3.434 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N(C)C ZINC000133147889 1416857545 /nfs/dbraw/zinc/85/75/45/1416857545.db2.gz GJQLXLGFAGPCGH-QGZVFWFLSA-N 0 1 395.912 3.420 20 0 GGADMN CS(=O)(=O)c1cccc(OCCSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000133150353 1416857799 /nfs/dbraw/zinc/85/77/99/1416857799.db2.gz FOXOYQOWYOTGGO-UHFFFAOYSA-N 0 1 393.465 3.185 20 0 GGADMN CCCn1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)c1C ZINC000133170682 1416860174 /nfs/dbraw/zinc/86/01/74/1416860174.db2.gz MKVOLNASRFGDIB-UHFFFAOYSA-N 0 1 399.539 3.313 20 0 GGADMN COc1cc(CCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)ccc1C ZINC000133181333 1416861551 /nfs/dbraw/zinc/86/15/51/1416861551.db2.gz JFXUUVPYKDCWAR-GOSISDBHSA-N 0 1 396.535 3.466 20 0 GGADMN Cc1nc2ccccc2n1CCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000133220922 1416866072 /nfs/dbraw/zinc/86/60/72/1416866072.db2.gz XUQLGVVOINNSSN-UHFFFAOYSA-N 0 1 391.519 3.121 20 0 GGADMN CCCN(CC(=O)Nc1cccc(NC(C)=O)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000133234011 1416868250 /nfs/dbraw/zinc/86/82/50/1416868250.db2.gz NARWVRJYIPMXLY-MOPGFXCFSA-N 0 1 375.513 3.499 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCCOc3cccc(S(C)(=O)=O)c3)n2)cc1 ZINC000133258532 1416871364 /nfs/dbraw/zinc/87/13/64/1416871364.db2.gz OOSUGBSTAMNPGQ-UHFFFAOYSA-N 0 1 389.502 3.355 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)C[C@@H](C)O1 ZINC000133270711 1416872806 /nfs/dbraw/zinc/87/28/06/1416872806.db2.gz DCTYDHKKJRGBBY-CHWSQXEVSA-N 0 1 382.432 3.379 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N[C@@H]3CC(C)(C)c4ccccc43)ccn2)CC1 ZINC000133294295 1416875593 /nfs/dbraw/zinc/87/55/93/1416875593.db2.gz ZONAINUHURILSI-HXUWFJFHSA-N 0 1 393.535 3.055 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(C(=O)OCCCN(C)Cc2ccccc2)c1C ZINC000133312243 1416877242 /nfs/dbraw/zinc/87/72/42/1416877242.db2.gz PGVDMTPPQHKCEW-UHFFFAOYSA-N 0 1 389.517 3.386 20 0 GGADMN c1ccc(-c2nc([C@H]3CCCN3Cc3noc(C4CCOCC4)n3)n[nH]2)cc1 ZINC000133315718 1416877802 /nfs/dbraw/zinc/87/78/02/1416877802.db2.gz IYVGWHDASVMVJZ-MRXNPFEDSA-N 0 1 380.452 3.086 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCCN3Cc3noc(C4CCOCC4)n3)n2)cc1 ZINC000133315718 1416877804 /nfs/dbraw/zinc/87/78/04/1416877804.db2.gz IYVGWHDASVMVJZ-MRXNPFEDSA-N 0 1 380.452 3.086 20 0 GGADMN C[C@H](CCc1cccn1C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133318779 1416878124 /nfs/dbraw/zinc/87/81/24/1416878124.db2.gz QZGOVEREHOYAAR-MSOLQXFVSA-N 0 1 383.540 3.266 20 0 GGADMN CCCn1nc(C)c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000133319741 1416878531 /nfs/dbraw/zinc/87/85/31/1416878531.db2.gz LDJHRIZFQKDMPN-CALCHBBNSA-N 0 1 398.551 3.449 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCc2ccsc2C1 ZINC000133359284 1416882195 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C[C@@H](CC(=O)N1CCN(CC2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000133460871 1416892273 /nfs/dbraw/zinc/89/22/73/1416892273.db2.gz CXONNJFGXDLTQX-PKOBYXMFSA-N 0 1 393.572 3.214 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000133471620 1416893170 /nfs/dbraw/zinc/89/31/70/1416893170.db2.gz WKOSGYYTWNDRCE-UHFFFAOYSA-N 0 1 381.505 3.046 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1F ZINC000133531854 1416898887 /nfs/dbraw/zinc/89/88/87/1416898887.db2.gz YMENNMHKVZCOOM-UHFFFAOYSA-N 0 1 385.439 3.166 20 0 GGADMN Cc1ccccc1[C@@H](OC[C@@H](O)CN1CCCC2(C1)OCCO2)c1ccccc1 ZINC000133535229 1416899219 /nfs/dbraw/zinc/89/92/19/1416899219.db2.gz WJJWDGAOIRATIO-GMAHTHKFSA-N 0 1 397.515 3.301 20 0 GGADMN COc1cc(Br)c(CNC[C@@H]2CSCCS2)c(OC)c1 ZINC000133545080 1416899928 /nfs/dbraw/zinc/89/99/28/1416899928.db2.gz PHOHRISIWZZKCV-LLVKDONJSA-N 0 1 378.357 3.405 20 0 GGADMN CCO[C@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000133554118 1416903194 /nfs/dbraw/zinc/90/31/94/1416903194.db2.gz LUWCHLCQCWZKEA-FXAWDEMLSA-N 0 1 376.545 3.357 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCOCc2ccccc2)CC1 ZINC000133568161 1416905851 /nfs/dbraw/zinc/90/58/51/1416905851.db2.gz SYESCIQPGRVLTG-GOSISDBHSA-N 0 1 382.508 3.123 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000133574200 1416908190 /nfs/dbraw/zinc/90/81/90/1416908190.db2.gz KRZYNHURBVSWHB-YESZJQIVSA-N 0 1 381.561 3.449 20 0 GGADMN C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CCC(C)(c3ccccc3)CC2)C1=O ZINC000133580627 1416909708 /nfs/dbraw/zinc/90/97/08/1416909708.db2.gz PYYGUCCFURCHFH-XLIONFOSSA-N 0 1 377.488 3.324 20 0 GGADMN Cn1ccc(N2CCC[C@H](Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C2=O)n1 ZINC000133652988 1416932176 /nfs/dbraw/zinc/93/21/76/1416932176.db2.gz DQKDCAFHAYEXDG-ZDUSSCGKSA-N 0 1 388.884 3.146 20 0 GGADMN CC(C)[C@H]1OCCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133667377 1416935231 /nfs/dbraw/zinc/93/52/31/1416935231.db2.gz AJMGVBVWXSSSEQ-HFSMHLIXSA-N 0 1 388.556 3.357 20 0 GGADMN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133667599 1416935619 /nfs/dbraw/zinc/93/56/19/1416935619.db2.gz AJMGVBVWXSSSEQ-CUWPLCDZSA-N 0 1 388.556 3.357 20 0 GGADMN CCCOc1ccc(CC(=O)N2CCC(c3nc[nH]n3)CC2)cc1OCCC ZINC000133670197 1416936370 /nfs/dbraw/zinc/93/63/70/1416936370.db2.gz NOVJXYDBHKIDDE-UHFFFAOYSA-N 0 1 386.496 3.331 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000178697711 1429144385 /nfs/dbraw/zinc/14/43/85/1429144385.db2.gz RAOGATJIOPVYRL-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN Cc1ccc([C@@H](OC[C@H](O)CN2CCCC3(C2)OCCO3)c2ccccc2)cc1 ZINC000133676740 1416937828 /nfs/dbraw/zinc/93/78/28/1416937828.db2.gz TUOFHROOIGJINF-PKTZIBPZSA-N 0 1 397.515 3.301 20 0 GGADMN Cc1ccc([C@@H](OC[C@@H](O)CN2CCCC3(C2)OCCO3)c2ccccc2)cc1 ZINC000133677166 1416938198 /nfs/dbraw/zinc/93/81/98/1416938198.db2.gz TUOFHROOIGJINF-GOTSBHOMSA-N 0 1 397.515 3.301 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC[NH2+]CC3)ccc2C)c1 ZINC000133690824 1416941955 /nfs/dbraw/zinc/94/19/55/1416941955.db2.gz KTRDPWAUNVODRB-UHFFFAOYSA-N 0 1 387.505 3.042 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCC[NH2+]C3)ccc2C)c1 ZINC000133693312 1416942924 /nfs/dbraw/zinc/94/29/24/1416942924.db2.gz NWBMADVGARFOSG-MRXNPFEDSA-N 0 1 387.505 3.042 20 0 GGADMN CCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000133691870 1416943260 /nfs/dbraw/zinc/94/32/60/1416943260.db2.gz LFQKBEYTKHSXAF-KRWDZBQOSA-N 0 1 375.494 3.170 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(CCO)[C@H]2CCCc3ccccc32)cc1F ZINC000133700128 1416945437 /nfs/dbraw/zinc/94/54/37/1416945437.db2.gz GROOHDLWRPUSGH-QFIPXVFZSA-N 0 1 399.510 3.469 20 0 GGADMN Cc1cccc(C)c1NC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000178700028 1429145432 /nfs/dbraw/zinc/14/54/32/1429145432.db2.gz IEEVAHNKHAFTJY-UHFFFAOYSA-N 0 1 383.517 3.429 20 0 GGADMN CCC(CC)c1nnc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)s1 ZINC000133709077 1416948277 /nfs/dbraw/zinc/94/82/77/1416948277.db2.gz QPVAJDSEAVIGRI-CQSZACIVSA-N 0 1 381.546 3.018 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000133720953 1416950796 /nfs/dbraw/zinc/95/07/96/1416950796.db2.gz VQUUPCQHEVHBLW-SFHVURJKSA-N 0 1 394.924 3.244 20 0 GGADMN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)c(F)c2)C12CCC2 ZINC000133720811 1416950843 /nfs/dbraw/zinc/95/08/43/1416950843.db2.gz WFISNGMNDUZBBI-MOPGFXCFSA-N 0 1 377.504 3.376 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)[nH]n2)cc1 ZINC000133730204 1416952754 /nfs/dbraw/zinc/95/27/54/1416952754.db2.gz GFILIKIAQHXLCH-UHFFFAOYSA-N 0 1 378.432 3.348 20 0 GGADMN Cc1cc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)ccc1Cl ZINC000133748637 1416956269 /nfs/dbraw/zinc/95/62/69/1416956269.db2.gz RBGONXZDZUKSGU-UHFFFAOYSA-N 0 1 379.932 3.005 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000133776579 1416961105 /nfs/dbraw/zinc/96/11/05/1416961105.db2.gz JPHQVTSREMZJCY-UHFFFAOYSA-N 0 1 388.431 3.067 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NCC2CCCCC2)C1 ZINC000133802687 1416966598 /nfs/dbraw/zinc/96/65/98/1416966598.db2.gz HQMOHWKIWVWXJO-FUHWJXTLSA-N 0 1 381.561 3.308 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cccc3[nH]c(=O)oc32)N2CCCCC2)cc1 ZINC000133816653 1416969546 /nfs/dbraw/zinc/96/95/46/1416969546.db2.gz FNBGVAPCHOHHDJ-IBGZPJMESA-N 0 1 395.459 3.087 20 0 GGADMN COc1cccc(OC)c1OC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000133884129 1416987872 /nfs/dbraw/zinc/98/78/72/1416987872.db2.gz YAEZJZNZWJRGRB-GOSISDBHSA-N 0 1 375.440 3.420 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000133893093 1416989722 /nfs/dbraw/zinc/98/97/22/1416989722.db2.gz UEMHSINAMKHKFL-LMMKCTJWSA-N 0 1 389.540 3.489 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736290759 1429147704 /nfs/dbraw/zinc/14/77/04/1429147704.db2.gz BMRGROIVMAZUPN-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736290759 1429147709 /nfs/dbraw/zinc/14/77/09/1429147709.db2.gz BMRGROIVMAZUPN-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NC[C@H](C)SC)CC2)c1C ZINC000133911954 1416992966 /nfs/dbraw/zinc/99/29/66/1416992966.db2.gz XWYDFYUHYUQBOP-HNNXBMFYSA-N 0 1 394.585 3.064 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1F ZINC000133925300 1416996338 /nfs/dbraw/zinc/99/63/38/1416996338.db2.gz KRGIZGHQLYTOKX-NRFANRHFSA-N 0 1 399.510 3.431 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1F ZINC000133925100 1416996445 /nfs/dbraw/zinc/99/64/45/1416996445.db2.gz KRGIZGHQLYTOKX-OAQYLSRUSA-N 0 1 399.510 3.431 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000133937361 1416998279 /nfs/dbraw/zinc/99/82/79/1416998279.db2.gz RURQEAMWODIVBD-HKUYNNGSSA-N 0 1 389.540 3.270 20 0 GGADMN COc1ccc(-n2ccc(CN[C@@H](C)CC(=O)Nc3cccnc3Cl)n2)cc1 ZINC000178710381 1429148661 /nfs/dbraw/zinc/14/86/61/1429148661.db2.gz VNURRFIQQRKMJN-AWEZNQCLSA-N 0 1 399.882 3.436 20 0 GGADMN CCCCCNC(=O)C1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 ZINC000133981338 1417005145 /nfs/dbraw/zinc/00/51/45/1417005145.db2.gz ZFDIHGHKGYDQOG-UHFFFAOYSA-N 0 1 398.507 3.244 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)c2ccccc2Br)C1 ZINC000133986354 1417005784 /nfs/dbraw/zinc/00/57/84/1417005784.db2.gz XZBFATMXQFJNJN-RKVPGOIHSA-N 0 1 397.357 3.499 20 0 GGADMN Cc1cc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)nn1-c1ccc(F)cc1F ZINC000134007940 1417009515 /nfs/dbraw/zinc/00/95/15/1417009515.db2.gz JBAWNYLIRSYGPC-UHFFFAOYSA-N 0 1 380.358 3.496 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000134019114 1417010528 /nfs/dbraw/zinc/01/05/28/1417010528.db2.gz AUGOWYTWYJKLTK-OAHLLOKOSA-N 0 1 385.533 3.355 20 0 GGADMN O=C(CN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)NCC(F)(F)F ZINC000134042347 1417013859 /nfs/dbraw/zinc/01/38/59/1417013859.db2.gz JUNKVTGZRIDBJX-HXUWFJFHSA-N 0 1 392.421 3.001 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000134062478 1417016364 /nfs/dbraw/zinc/01/63/64/1417016364.db2.gz KGSRZXYUIVEQIN-MSOLQXFVSA-N 0 1 393.409 3.462 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(Cl)nc1 ZINC000134075976 1417018834 /nfs/dbraw/zinc/01/88/34/1417018834.db2.gz VOUBLVQSHWFKNP-HOTGVXAUSA-N 0 1 382.869 3.218 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(CCO)[C@@H]2CCc3ccccc32)cc1F ZINC000134087745 1417020738 /nfs/dbraw/zinc/02/07/38/1417020738.db2.gz AHXNXEQTCYKYIA-OAQYLSRUSA-N 0 1 385.483 3.079 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1F ZINC000134087939 1417020760 /nfs/dbraw/zinc/02/07/60/1417020760.db2.gz AHXNXEQTCYKYIA-NRFANRHFSA-N 0 1 385.483 3.079 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3cc(-c4ncco4)ccc3C)CC2)c1 ZINC000134095129 1417021686 /nfs/dbraw/zinc/02/16/86/1417021686.db2.gz UANGOPYQHIZFPQ-UHFFFAOYSA-N 0 1 393.447 3.408 20 0 GGADMN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)C1 ZINC000134123148 1417025802 /nfs/dbraw/zinc/02/58/02/1417025802.db2.gz DMARSDKRUKCCSL-QGZVFWFLSA-N 0 1 394.581 3.337 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000178722185 1429150836 /nfs/dbraw/zinc/15/08/36/1429150836.db2.gz JEYBKABFNWIZCS-CVEARBPZSA-N 0 1 390.553 3.315 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000178722173 1429151112 /nfs/dbraw/zinc/15/11/12/1429151112.db2.gz JEYBKABFNWIZCS-HZPDHXFCSA-N 0 1 390.553 3.315 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)N2CCCC2)o1 ZINC000134175191 1417033428 /nfs/dbraw/zinc/03/34/28/1417033428.db2.gz ILTBQWBZNHKDOH-MBOZVWFJSA-N 0 1 393.553 3.079 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000134192971 1417035932 /nfs/dbraw/zinc/03/59/32/1417035932.db2.gz QFROXTSNMKRFPB-SJORKVTESA-N 0 1 381.561 3.403 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000134221949 1417040221 /nfs/dbraw/zinc/04/02/21/1417040221.db2.gz YFSSDZFZOALPJZ-UHFFFAOYSA-N 0 1 392.337 3.046 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](c2ccccc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737843997 1429152163 /nfs/dbraw/zinc/15/21/63/1429152163.db2.gz PZMWSVFVCVIOTN-SFHVURJKSA-N 0 1 390.491 3.465 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H](c2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737843997 1429152169 /nfs/dbraw/zinc/15/21/69/1429152169.db2.gz PZMWSVFVCVIOTN-SFHVURJKSA-N 0 1 390.491 3.465 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](c2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737843997 1429152175 /nfs/dbraw/zinc/15/21/75/1429152175.db2.gz PZMWSVFVCVIOTN-SFHVURJKSA-N 0 1 390.491 3.465 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2C[C@@H](c3ccccc3)C(C)(C)C2)c1 ZINC000134258151 1417045108 /nfs/dbraw/zinc/04/51/08/1417045108.db2.gz FYHBZLKERRUUKP-FQEVSTJZSA-N 0 1 379.504 3.453 20 0 GGADMN Cc1nc(COc2cccc(C(=O)Nc3nc(-c4ccc(C)cc4)n[nH]3)c2)no1 ZINC000134259049 1417045677 /nfs/dbraw/zinc/04/56/77/1417045677.db2.gz MBOCDEWDUSUXQO-UHFFFAOYSA-N 0 1 390.403 3.303 20 0 GGADMN O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)c1[nH]nc2c1CCCC2 ZINC000134320020 1417054918 /nfs/dbraw/zinc/05/49/18/1417054918.db2.gz 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CC(C)c1nnc(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C(C)C)s1 ZINC000137488720 1417387876 /nfs/dbraw/zinc/38/78/76/1417387876.db2.gz SOPWORDUBIGONA-INIZCTEOSA-N 0 1 376.526 3.119 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)o1 ZINC000137520466 1417389542 /nfs/dbraw/zinc/38/95/42/1417389542.db2.gz KFFCKKITIJOBLL-NRFANRHFSA-N 0 1 397.519 3.151 20 0 GGADMN COCc1ccc([C@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)o1 ZINC000137520386 1417389735 /nfs/dbraw/zinc/38/97/35/1417389735.db2.gz KFFCKKITIJOBLL-OAQYLSRUSA-N 0 1 397.519 3.151 20 0 GGADMN CC(C)c1nnc(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)s1 ZINC000137706917 1417392742 /nfs/dbraw/zinc/39/27/42/1417392742.db2.gz OEVBPWSVADVBJJ-KRWDZBQOSA-N 0 1 388.537 3.362 20 0 GGADMN CC(C)c1nnc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)s1 ZINC000137706815 1417393191 /nfs/dbraw/zinc/39/31/91/1417393191.db2.gz OEVBPWSVADVBJJ-QGZVFWFLSA-N 0 1 388.537 3.362 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)cc1 ZINC000137787261 1417394753 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Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)N2CCCC2)o1 ZINC000138367237 1417412094 /nfs/dbraw/zinc/41/20/94/1417412094.db2.gz DMUJCOCMFZEJBU-RBUKOAKNSA-N 0 1 399.539 3.123 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000138376290 1417412249 /nfs/dbraw/zinc/41/22/49/1417412249.db2.gz XQBSBTJSPAUHHX-UHFFFAOYSA-N 0 1 379.468 3.141 20 0 GGADMN COc1ccccc1OCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000138387779 1417412786 /nfs/dbraw/zinc/41/27/86/1417412786.db2.gz DZARNCFTIYJVSR-SFHVURJKSA-N 0 1 386.467 3.242 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(C)C2Cc3ccccc3C2)c1 ZINC000138434113 1417414877 /nfs/dbraw/zinc/41/48/77/1417414877.db2.gz WUNJQJRYFLXOEF-QFIPXVFZSA-N 0 1 394.515 3.467 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000138575490 1417426724 /nfs/dbraw/zinc/42/67/24/1417426724.db2.gz KOPZTPHOUMGUPR-UHFFFAOYSA-N 0 1 397.544 3.324 20 0 GGADMN COc1ccc([C@H](N[C@@H](C)Cn2cccn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000138628935 1417430031 /nfs/dbraw/zinc/43/00/31/1417430031.db2.gz LOODSWMTJHOTAN-KKSFZXQISA-N 0 1 399.516 3.063 20 0 GGADMN COc1ccc([C@@H](N[C@@H](C)Cn2cccn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000138629191 1417430456 /nfs/dbraw/zinc/43/04/56/1417430456.db2.gz LOODSWMTJHOTAN-HRAATJIYSA-N 0 1 399.516 3.063 20 0 GGADMN O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(CN2CCSCC2)c1 ZINC000138648108 1417431614 /nfs/dbraw/zinc/43/16/14/1417431614.db2.gz DOQIKHVBEVVLRV-UHFFFAOYSA-N 0 1 384.501 3.188 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccc(O)cc1)N1CCN(c2ccccc2F)CC1 ZINC000138918561 1417441736 /nfs/dbraw/zinc/44/17/36/1417441736.db2.gz VWWZBEVUZHYHLC-HXUWFJFHSA-N 0 1 383.467 3.017 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cnn(-c2ccccc2)n1 ZINC000138957911 1417443711 /nfs/dbraw/zinc/44/37/11/1417443711.db2.gz MCWPHKXTEZVOIB-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CC(C)(C)NC(=S)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000139060930 1417447368 /nfs/dbraw/zinc/44/73/68/1417447368.db2.gz MIFNMZZLKQWJAW-UHFFFAOYSA-N 0 1 383.565 3.489 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000139177726 1417450505 /nfs/dbraw/zinc/45/05/05/1417450505.db2.gz GLLYBWAEJHIYET-MRXNPFEDSA-N 0 1 378.948 3.044 20 0 GGADMN Cc1occc1C(=O)Nc1cc(NC(=O)CCCCc2cn[nH]n2)ccc1F ZINC000139166269 1417450758 /nfs/dbraw/zinc/45/07/58/1417450758.db2.gz IUIKTVFKXXHSNH-UHFFFAOYSA-N 0 1 385.399 3.449 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000139244463 1417453772 /nfs/dbraw/zinc/45/37/72/1417453772.db2.gz PKQCXGVFORWOLS-UHFFFAOYSA-N 0 1 395.438 3.225 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000139318275 1417456073 /nfs/dbraw/zinc/45/60/73/1417456073.db2.gz AYPHMJBTMOPBDY-UHFFFAOYSA-N 0 1 398.488 3.130 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000139341991 1417456789 /nfs/dbraw/zinc/45/67/89/1417456789.db2.gz WYEWWJXIYYBIPQ-UHFFFAOYSA-N 0 1 394.397 3.056 20 0 GGADMN C[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000139338338 1417456802 /nfs/dbraw/zinc/45/68/02/1417456802.db2.gz WPFPLKMRKFNKMV-HNNXBMFYSA-N 0 1 392.463 3.042 20 0 GGADMN CC(=O)Nc1ccc(CNCc2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000139343670 1417457618 /nfs/dbraw/zinc/45/76/18/1417457618.db2.gz SUNFDLIEDNUVSD-UHFFFAOYSA-N 0 1 390.487 3.320 20 0 GGADMN Cc1ccc2[nH]c(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)c(Cl)c2c1 ZINC000139435604 1417459481 /nfs/dbraw/zinc/45/94/81/1417459481.db2.gz APVMTOHZIGPWLV-UHFFFAOYSA-N 0 1 397.910 3.207 20 0 GGADMN Cc1ccc(NC(=O)C2(CNC(=O)CCCCc3cn[nH]n3)CCCC2)cc1C ZINC000139461243 1417460106 /nfs/dbraw/zinc/46/01/06/1417460106.db2.gz KDKGNEBMEFRJKT-UHFFFAOYSA-N 0 1 397.523 3.450 20 0 GGADMN COc1ccc(C)cc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826189967 1429185815 /nfs/dbraw/zinc/18/58/15/1429185815.db2.gz LCXRMHUFOWRCOB-UHFFFAOYSA-N 0 1 378.480 3.260 20 0 GGADMN O=c1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)nc2ccccn12 ZINC000139580178 1417463965 /nfs/dbraw/zinc/46/39/65/1417463965.db2.gz ZCYDRUYFOUVHBK-UHFFFAOYSA-N 0 1 377.444 3.368 20 0 GGADMN CC(C)c1ccc(CCNC(=O)CN2CCN(CCc3ccccc3)CC2)cc1 ZINC000139583560 1417464333 /nfs/dbraw/zinc/46/43/33/1417464333.db2.gz DQGKYHFQCMTYSX-UHFFFAOYSA-N 0 1 393.575 3.329 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCN(CCc2ccccc2)CC1 ZINC000139583775 1417465020 /nfs/dbraw/zinc/46/50/20/1417465020.db2.gz FRTONUQAIXJQNR-SFHVURJKSA-N 0 1 385.939 3.205 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000139590309 1417465067 /nfs/dbraw/zinc/46/50/67/1417465067.db2.gz ZEIDSLRNJYKFFS-NSHDSACASA-N 0 1 387.431 3.399 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000139590399 1417465574 /nfs/dbraw/zinc/46/55/74/1417465574.db2.gz ZEIDSLRNJYKFFS-LLVKDONJSA-N 0 1 387.431 3.399 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cc(C(N)=O)ccc3F)[nH]c2c1 ZINC000139588554 1417465671 /nfs/dbraw/zinc/46/56/71/1417465671.db2.gz QJZYPKOTNVADDG-KRWDZBQOSA-N 0 1 381.411 3.478 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000139595911 1417465780 /nfs/dbraw/zinc/46/57/80/1417465780.db2.gz USAWQPLCINAQBX-UHFFFAOYSA-N 0 1 378.358 3.361 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000139667733 1417468265 /nfs/dbraw/zinc/46/82/65/1417468265.db2.gz ZAYJWNKUZUVOGE-UHFFFAOYSA-N 0 1 377.448 3.086 20 0 GGADMN CN1CC[C@H](CNC(=O)CCCCc2c[nH]nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000139670109 1417468396 /nfs/dbraw/zinc/46/83/96/1417468396.db2.gz HNUABYFGDMEQQA-KUHUBIRLSA-N 0 1 393.894 3.119 20 0 GGADMN Cc1cc(NC(=O)CN2CCN([C@H](C)c3cccc4ccccc43)CC2)no1 ZINC000139676116 1417469632 /nfs/dbraw/zinc/46/96/32/1417469632.db2.gz PYOSKRAMPLYFTE-QGZVFWFLSA-N 0 1 378.476 3.454 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCOC2(CCCC2)C1 ZINC000139727513 1417470105 /nfs/dbraw/zinc/47/01/05/1417470105.db2.gz INEKKTNXMZRQDI-UHFFFAOYSA-N 0 1 382.508 3.463 20 0 GGADMN COc1cc(NC(=O)CCN2CCOC3(CCCC3)C2)c(OC)cc1Cl ZINC000139772248 1417472074 /nfs/dbraw/zinc/47/20/74/1417472074.db2.gz OSPIRSOBEQRINT-UHFFFAOYSA-N 0 1 382.888 3.331 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C[C@@H](c2ccccc2)O1 ZINC000139794488 1417474063 /nfs/dbraw/zinc/47/40/63/1417474063.db2.gz HERZQEPXQDZQEO-UGSOOPFHSA-N 0 1 395.484 3.198 20 0 GGADMN Cc1noc([C@@H]2CCCN(C(=O)NC[C@H](c3ccco3)N3CCCCC3)C2)n1 ZINC000140014582 1417484926 /nfs/dbraw/zinc/48/49/26/1417484926.db2.gz OTFXCIPYRXKCPW-IAGOWNOFSA-N 0 1 387.484 3.087 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)O[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000140206783 1417491459 /nfs/dbraw/zinc/49/14/59/1417491459.db2.gz ZFSVORVDMBQYIZ-NRFANRHFSA-N 0 1 377.444 3.402 20 0 GGADMN C[C@H](NC(=O)COC(=O)Cc1[nH]nc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000140265446 1417495456 /nfs/dbraw/zinc/49/54/56/1417495456.db2.gz DZHXFRYAHKUBKS-HNNXBMFYSA-N 0 1 391.471 3.405 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCCCO1)N1CCCCC1 ZINC000140319078 1417498905 /nfs/dbraw/zinc/49/89/05/1417498905.db2.gz BSLRORFYIUVFOF-PKOBYXMFSA-N 0 1 375.513 3.091 20 0 GGADMN CC(C)[C@@H]1CCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000140509796 1417505973 /nfs/dbraw/zinc/50/59/73/1417505973.db2.gz CWODBZYBRGZPGL-GOEBONIOSA-N 0 1 383.414 3.413 20 0 GGADMN CN(C)C(=O)C[C@@H](NCc1ccc(OCc2nccn2C)cc1)c1ccccc1 ZINC000140572461 1417508125 /nfs/dbraw/zinc/50/81/25/1417508125.db2.gz DMNBYUSVTIURFM-OAQYLSRUSA-N 0 1 392.503 3.308 20 0 GGADMN COCCn1cc(C(=O)NCCN2CCc3ccccc3C2)c2ccccc21 ZINC000140602255 1417509056 /nfs/dbraw/zinc/50/90/56/1417509056.db2.gz HVIYNVFZGJHVGY-UHFFFAOYSA-N 0 1 377.488 3.076 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N1CCCCC1 ZINC000140636268 1417510837 /nfs/dbraw/zinc/51/08/37/1417510837.db2.gz RHMZZIPUVAZREX-LJQANCHMSA-N 0 1 382.508 3.263 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000140690218 1417512719 /nfs/dbraw/zinc/51/27/19/1417512719.db2.gz JYTXRVGRPBNGFY-CQSZACIVSA-N 0 1 388.464 3.235 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000140690218 1417512728 /nfs/dbraw/zinc/51/27/28/1417512728.db2.gz JYTXRVGRPBNGFY-CQSZACIVSA-N 0 1 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Clc1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826351874 1429243138 /nfs/dbraw/zinc/24/31/38/1429243138.db2.gz DZHVWKUMRFWMQQ-UHFFFAOYSA-N 0 1 382.899 3.274 20 0 GGADMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@]1(O)CCOC1 ZINC000179027275 1429245718 /nfs/dbraw/zinc/24/57/18/1429245718.db2.gz UTNLKCLXBFUJNS-MRXNPFEDSA-N 0 1 389.805 3.094 20 0 GGADMN CCOC(=O)NCCCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000179043994 1429249212 /nfs/dbraw/zinc/24/92/12/1429249212.db2.gz ULYIMRDFPVQIIG-HXUWFJFHSA-N 0 1 380.448 3.295 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(F)cc1 ZINC000822021033 1429249264 /nfs/dbraw/zinc/24/92/64/1429249264.db2.gz SPZAVZWRQRBEMH-CHWSQXEVSA-N 0 1 392.442 3.307 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)C2)CC1 ZINC000179056634 1429251521 /nfs/dbraw/zinc/25/15/21/1429251521.db2.gz AVSLVMYQKZCTEI-SFHVURJKSA-N 0 1 398.938 3.254 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc(-c4ccccn4)ccc3Cl)C2)CC1 ZINC000179056623 1429251708 /nfs/dbraw/zinc/25/17/08/1429251708.db2.gz AVSLVMYQKZCTEI-GOSISDBHSA-N 0 1 398.938 3.254 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000179062256 1429252211 /nfs/dbraw/zinc/25/22/11/1429252211.db2.gz AAFLGLJZRULGCG-UHFFFAOYSA-N 0 1 390.402 3.385 20 0 GGADMN OCCC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000823718730 1429253349 /nfs/dbraw/zinc/25/33/49/1429253349.db2.gz ZKJHMVFQPSPADU-NRFANRHFSA-N 0 1 393.491 3.008 20 0 GGADMN OCCC[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000823718730 1429253358 /nfs/dbraw/zinc/25/33/58/1429253358.db2.gz ZKJHMVFQPSPADU-NRFANRHFSA-N 0 1 393.491 3.008 20 0 GGADMN OCCC[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000823718730 1429253365 /nfs/dbraw/zinc/25/33/65/1429253365.db2.gz ZKJHMVFQPSPADU-NRFANRHFSA-N 0 1 393.491 3.008 20 0 GGADMN O=S(=O)(CCNCc1ccc(F)c(C(F)(F)F)c1)NCc1ccccc1 ZINC000179073356 1429255116 /nfs/dbraw/zinc/25/51/16/1429255116.db2.gz KDWMHYUKLZCRMS-UHFFFAOYSA-N 0 1 390.402 3.054 20 0 GGADMN CC(C)Cn1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1C(F)F ZINC000179086778 1429258093 /nfs/dbraw/zinc/25/80/93/1429258093.db2.gz GNKHIGXXGGDAMK-UHFFFAOYSA-N 0 1 391.466 3.266 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCCC2=O)c1 ZINC000820412836 1429262539 /nfs/dbraw/zinc/26/25/39/1429262539.db2.gz MQZJMGNHBBVFFH-LSDHHAIUSA-N 0 1 376.464 3.405 20 0 GGADMN COc1c(C)ccc(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1C ZINC000179113821 1429266327 /nfs/dbraw/zinc/26/63/27/1429266327.db2.gz LFRHDWMACGWCIY-RBUKOAKNSA-N 0 1 383.492 3.069 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@H](c1ccccc1)C1CCCCC1)C2 ZINC000738424651 1429270739 /nfs/dbraw/zinc/27/07/39/1429270739.db2.gz HSXKDWBAJVAXMP-DNVCBOLYSA-N 0 1 392.511 3.016 20 0 GGADMN COc1ccc(CCCC(=O)NC2CCN(Cc3ccncc3)CC2)c(OC)c1 ZINC000179157425 1429280762 /nfs/dbraw/zinc/28/07/62/1429280762.db2.gz PAVRWDOOCRMHII-UHFFFAOYSA-N 0 1 397.519 3.202 20 0 GGADMN CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825331859 1429281425 /nfs/dbraw/zinc/28/14/25/1429281425.db2.gz AQQMVHQAMPCOOD-HXUWFJFHSA-N 0 1 390.491 3.174 20 0 GGADMN CC(C)(CNC(=O)c1ccc(C(=O)NC2CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000179161863 1429281836 /nfs/dbraw/zinc/28/18/36/1429281836.db2.gz OKFYHRJCQFLNED-UHFFFAOYSA-N 0 1 391.515 3.146 20 0 GGADMN CC(C)(CNC(=O)c1ccc(C(=O)NC2CC2)cc1)N1CCc2ccccc2C1 ZINC000179161863 1429281841 /nfs/dbraw/zinc/28/18/41/1429281841.db2.gz OKFYHRJCQFLNED-UHFFFAOYSA-N 0 1 391.515 3.146 20 0 GGADMN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000179170574 1429284544 /nfs/dbraw/zinc/28/45/44/1429284544.db2.gz QWIQYTMCRGZJMA-UHFFFAOYSA-N 0 1 385.445 3.077 20 0 GGADMN Cc1cc(Br)ccc1CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000180655576 1429959474 /nfs/dbraw/zinc/95/94/74/1429959474.db2.gz URQQQZYUPKVEDJ-WBVHZDCISA-N 0 1 378.314 3.437 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000179180372 1429287687 /nfs/dbraw/zinc/28/76/87/1429287687.db2.gz KYLJHHAMJXKBCM-JOCHJYFZSA-N 0 1 396.535 3.029 20 0 GGADMN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822237474 1429289985 /nfs/dbraw/zinc/28/99/85/1429289985.db2.gz VONRGAOGWWRGNN-UHFFFAOYSA-N 0 1 390.491 3.342 20 0 GGADMN CCc1nn(C)c(CC)c1CNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000179209820 1429295397 /nfs/dbraw/zinc/29/53/97/1429295397.db2.gz ZLJYRJBVJQDPII-LJQANCHMSA-N 0 1 387.528 3.083 20 0 GGADMN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1c(O)cc(Cl)cc1Cl ZINC000179236232 1429301713 /nfs/dbraw/zinc/30/17/13/1429301713.db2.gz OVVAZNQOSRKLHK-ZDUSSCGKSA-N 0 1 393.270 3.478 20 0 GGADMN COc1ccc(CN2CCC(C(=O)NCCCOC(C)C)CC2)cc1Cl ZINC000179246914 1429304246 /nfs/dbraw/zinc/30/42/46/1429304246.db2.gz SAMJHNUEKNDDCF-UHFFFAOYSA-N 0 1 382.932 3.492 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247395 1429304725 /nfs/dbraw/zinc/30/47/25/1429304725.db2.gz PCLVJAZZBZPKKA-YJBOKZPZSA-N 0 1 376.863 3.366 20 0 GGADMN CN1CC[C@H](CNC(=O)NCc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247385 1429304850 /nfs/dbraw/zinc/30/48/50/1429304850.db2.gz PCLVJAZZBZPKKA-QAPCUYQASA-N 0 1 376.863 3.366 20 0 GGADMN CN(CC(=O)NCc1ccccc1COCc1ccccc1)[C@H]1CCSC1 ZINC000179263225 1429307580 /nfs/dbraw/zinc/30/75/80/1429307580.db2.gz VOZBHHKBVDBCTN-NRFANRHFSA-N 0 1 384.545 3.457 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC000179239387 1429302760 /nfs/dbraw/zinc/30/27/60/1429302760.db2.gz UZYUJXLKSJYYDM-OKILXGFUSA-N 0 1 389.418 3.201 20 0 GGADMN CC(C)C(=O)NCCN(C)C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000179287335 1429315088 /nfs/dbraw/zinc/31/50/88/1429315088.db2.gz WMTASFQQNBOHEF-UHFFFAOYSA-N 0 1 381.520 3.163 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCN(C)CC3)nc1)CCC2 ZINC000179296607 1429318202 /nfs/dbraw/zinc/31/82/02/1429318202.db2.gz QCGDKHPPPVNPIY-OAQYLSRUSA-N 0 1 393.535 3.019 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccnc(N3CCN(C)CC3)c1)CCC2 ZINC000179301517 1429320724 /nfs/dbraw/zinc/32/07/24/1429320724.db2.gz OBCPVRBZHYYHSH-NRFANRHFSA-N 0 1 393.535 3.019 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668329 1429321346 /nfs/dbraw/zinc/32/13/46/1429321346.db2.gz RPYWTGOESSJTTH-RDTXWAMCSA-N 0 1 387.447 3.295 20 0 GGADMN CCn1cc(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc21 ZINC000179320009 1429328110 /nfs/dbraw/zinc/32/81/10/1429328110.db2.gz CSXIZUNARUBNON-MOPGFXCFSA-N 0 1 377.488 3.026 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)CCN1CCOC ZINC000179319719 1429327826 /nfs/dbraw/zinc/32/78/26/1429327826.db2.gz POPVPSFSWPRVFE-QGZVFWFLSA-N 0 1 375.538 3.171 20 0 GGADMN CSc1ccc(Cl)c(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000179319876 1429327940 /nfs/dbraw/zinc/32/79/40/1429327940.db2.gz IAZDTAOJRPMQEL-HOTGVXAUSA-N 0 1 390.936 3.427 20 0 GGADMN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1)CC(C)(C)O ZINC000179324977 1429329258 /nfs/dbraw/zinc/32/92/58/1429329258.db2.gz FMAXCYDZVOHFCW-UHFFFAOYSA-N 0 1 377.510 3.158 20 0 GGADMN O=C(c1cccnc1N1CCCCC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179331183 1429330909 /nfs/dbraw/zinc/33/09/09/1429330909.db2.gz QUUXNENPFCZTGD-MRXNPFEDSA-N 0 1 380.496 3.087 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cnc4ccc(F)cc4c3)n2)cc1 ZINC000179331662 1429332065 /nfs/dbraw/zinc/33/20/65/1429332065.db2.gz YEYFECQUJJANMP-UHFFFAOYSA-N 0 1 377.379 3.098 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cnc4ccc(F)cc4c3)n[nH]2)cc1 ZINC000179331662 1429332070 /nfs/dbraw/zinc/33/20/70/1429332070.db2.gz YEYFECQUJJANMP-UHFFFAOYSA-N 0 1 377.379 3.098 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179335236 1429333337 /nfs/dbraw/zinc/33/33/37/1429333337.db2.gz SYNTZVZUFPPWIE-HNNXBMFYSA-N 0 1 392.463 3.101 20 0 GGADMN O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179335995 1429333461 /nfs/dbraw/zinc/33/34/61/1429333461.db2.gz MJTOHUPUWOODGY-MRXNPFEDSA-N 0 1 390.447 3.284 20 0 GGADMN COc1ccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(OC)c1 ZINC000179339514 1429334821 /nfs/dbraw/zinc/33/48/21/1429334821.db2.gz WIRJGSWMBKFDSL-XAVKZTDYSA-N 0 1 382.464 3.119 20 0 GGADMN CCOc1cccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1OC(F)F ZINC000179341085 1429335378 /nfs/dbraw/zinc/33/53/78/1429335378.db2.gz JYJPUGPLVSGSFJ-INIZCTEOSA-N 0 1 382.451 3.425 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2cnn(C(C)C)c2n1 ZINC000179349388 1429339243 /nfs/dbraw/zinc/33/92/43/1429339243.db2.gz RCOPCKHPEXNLPP-OAHLLOKOSA-N 0 1 393.495 3.336 20 0 GGADMN O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179352062 1429339628 /nfs/dbraw/zinc/33/96/28/1429339628.db2.gz BERBDQONCNDDES-CQSZACIVSA-N 0 1 380.427 3.027 20 0 GGADMN O=C(CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(F)cc1F ZINC000179352854 1429340733 /nfs/dbraw/zinc/34/07/33/1429340733.db2.gz GFCRCRZEWDTJQK-CYBMUJFWSA-N 0 1 388.418 3.329 20 0 GGADMN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179355838 1429341337 /nfs/dbraw/zinc/34/13/37/1429341337.db2.gz DKQDQAJYMSHISQ-GFCCVEGCSA-N 0 1 379.386 3.424 20 0 GGADMN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179345867 1429337863 /nfs/dbraw/zinc/33/78/63/1429337863.db2.gz HNQRCSYBFQISEL-AWEZNQCLSA-N 0 1 397.504 3.136 20 0 GGADMN CC(=O)Nc1ccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179346104 1429337934 /nfs/dbraw/zinc/33/79/34/1429337934.db2.gz MELMZWAJTOGESO-CEUCYRDJSA-N 0 1 379.464 3.060 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179360417 1429343109 /nfs/dbraw/zinc/34/31/09/1429343109.db2.gz XEQDZXDBGVZXGG-CQSZACIVSA-N 0 1 378.436 3.060 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1 ZINC000179359821 1429343243 /nfs/dbraw/zinc/34/32/43/1429343243.db2.gz VZLMWPYOSNKCAT-RBUKOAKNSA-N 0 1 381.524 3.471 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179362547 1429344693 /nfs/dbraw/zinc/34/46/93/1429344693.db2.gz FLXUEMHJMSKWEN-MRXNPFEDSA-N 0 1 382.464 3.060 20 0 GGADMN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179367734 1429347255 /nfs/dbraw/zinc/34/72/55/1429347255.db2.gz CKUUAHFZAUVRCK-CYBMUJFWSA-N 0 1 398.492 3.132 20 0 GGADMN COc1cc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc(OC)c1 ZINC000179364890 1429345161 /nfs/dbraw/zinc/34/51/61/1429345161.db2.gz OXDIAZICUWMMMR-CDVVCGDMSA-N 0 1 382.464 3.119 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179363921 1429345286 /nfs/dbraw/zinc/34/52/86/1429345286.db2.gz SPCHJWYXLFPNLU-AWEZNQCLSA-N 0 1 381.411 3.496 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179363964 1429345305 /nfs/dbraw/zinc/34/53/05/1429345305.db2.gz YBAZXKIJGCNLFK-QGZVFWFLSA-N 0 1 388.475 3.467 20 0 GGADMN CCCOc1ccc(OCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179358171 1429342631 /nfs/dbraw/zinc/34/26/31/1429342631.db2.gz PLTYBRNWFKHTRD-MRXNPFEDSA-N 0 1 384.480 3.256 20 0 GGADMN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c12 ZINC000179358748 1429342645 /nfs/dbraw/zinc/34/26/45/1429342645.db2.gz OHMONSDNSCJGNW-CQSZACIVSA-N 0 1 392.463 3.424 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736413519 1429349261 /nfs/dbraw/zinc/34/92/61/1429349261.db2.gz ZLIPDMYXTYOJLO-SFHVURJKSA-N 0 1 379.464 3.264 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1(C)Cc2ccccc2C1 ZINC000179377632 1429350276 /nfs/dbraw/zinc/35/02/76/1429350276.db2.gz SAFGRCFAQUSTJR-UHFFFAOYSA-N 0 1 378.520 3.426 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821596848 1429352606 /nfs/dbraw/zinc/35/26/06/1429352606.db2.gz WTNZEDBTHPMXQU-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821596848 1429352612 /nfs/dbraw/zinc/35/26/12/1429352612.db2.gz WTNZEDBTHPMXQU-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821596848 1429352620 /nfs/dbraw/zinc/35/26/20/1429352620.db2.gz WTNZEDBTHPMXQU-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000821732574 1429353002 /nfs/dbraw/zinc/35/30/02/1429353002.db2.gz QIXSEPQOPYTOOT-KRWDZBQOSA-N 0 1 395.463 3.230 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CCO1 ZINC000179385415 1429353333 /nfs/dbraw/zinc/35/33/33/1429353333.db2.gz WBUGNWFAGCMWQY-UXHICEINSA-N 0 1 375.513 3.043 20 0 GGADMN CC(C)Cn1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1C1CC1 ZINC000179391650 1429356291 /nfs/dbraw/zinc/35/62/91/1429356291.db2.gz CBSJRYVCHMFGEC-UHFFFAOYSA-N 0 1 381.524 3.206 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361394 1429358861 /nfs/dbraw/zinc/35/88/61/1429358861.db2.gz VTGUPHOERFIARO-UCLAIMLFSA-N 0 1 377.496 3.326 20 0 GGADMN Cc1cc2ncc([C@H](C)NCc3ccc(CN4CCCC4=O)cc3)c(C)n2n1 ZINC000179402720 1429360338 /nfs/dbraw/zinc/36/03/38/1429360338.db2.gz YLFGUTVQJDLHLB-INIZCTEOSA-N 0 1 377.492 3.319 20 0 GGADMN Cc1cc2ncc([C@@H](C)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)c(C)n2n1 ZINC000179407283 1429362499 /nfs/dbraw/zinc/36/24/99/1429362499.db2.gz WBWXTZXCFLBZML-FOIQADDNSA-N 0 1 393.491 3.314 20 0 GGADMN CN(Cc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825976705 1429363579 /nfs/dbraw/zinc/36/35/79/1429363579.db2.gz OCKRZJHZXPFIIC-SFHVURJKSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825976705 1429363585 /nfs/dbraw/zinc/36/35/85/1429363585.db2.gz OCKRZJHZXPFIIC-SFHVURJKSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825976705 1429363592 /nfs/dbraw/zinc/36/35/92/1429363592.db2.gz OCKRZJHZXPFIIC-SFHVURJKSA-N 0 1 380.471 3.102 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825043944 1429384793 /nfs/dbraw/zinc/38/47/93/1429384793.db2.gz KXAWVHWUVAZGQB-GOSISDBHSA-N 0 1 390.850 3.392 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000179465931 1429384763 /nfs/dbraw/zinc/38/47/63/1429384763.db2.gz SXGNJMWBRYVMJT-HNNXBMFYSA-N 0 1 383.496 3.095 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000179466342 1429385004 /nfs/dbraw/zinc/38/50/04/1429385004.db2.gz AVNUFKCGEITNKC-CQSZACIVSA-N 0 1 392.931 3.171 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)[C@@H]1c1ccccc1 ZINC000179473988 1429387029 /nfs/dbraw/zinc/38/70/29/1429387029.db2.gz HQDZRQBWWFREKE-WBVHZDCISA-N 0 1 392.286 3.494 20 0 GGADMN Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000179469249 1429385618 /nfs/dbraw/zinc/38/56/18/1429385618.db2.gz SOYNMADJDHFUAL-TZIWHRDSSA-N 0 1 395.503 3.282 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179468719 1429385766 /nfs/dbraw/zinc/38/57/66/1429385766.db2.gz RXYRGGSSXLBGLO-UYAOXDASSA-N 0 1 399.466 3.115 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179471944 1429386130 /nfs/dbraw/zinc/38/61/30/1429386130.db2.gz FTDCDCZRFJHVEV-NHCUHLMSSA-N 0 1 395.503 3.366 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179471629 1429386314 /nfs/dbraw/zinc/38/63/14/1429386314.db2.gz NVGYWZGEELIXSC-LEWJYISDSA-N 0 1 394.519 3.031 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179476837 1429387592 /nfs/dbraw/zinc/38/75/92/1429387592.db2.gz QUZCARJKIRFUFQ-PZJWPPBQSA-N 0 1 395.503 3.284 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179476826 1429388004 /nfs/dbraw/zinc/38/80/04/1429388004.db2.gz QUZCARJKIRFUFQ-TZIWHRDSSA-N 0 1 395.503 3.284 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 ZINC000179475104 1429388091 /nfs/dbraw/zinc/38/80/91/1429388091.db2.gz IIPPBCUCDLCAFB-IRXDYDNUSA-N 0 1 392.286 3.494 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(F)c1 ZINC000179479938 1429388710 /nfs/dbraw/zinc/38/87/10/1429388710.db2.gz CAOPYLVKBKOGLE-OAHLLOKOSA-N 0 1 376.472 3.083 20 0 GGADMN CC1(C)CC[C@H](CNC(=O)N2CCN(C3CCOCC3)CC2)c2ccccc21 ZINC000179480976 1429389070 /nfs/dbraw/zinc/38/90/70/1429389070.db2.gz LIYNQHOGBJEALS-GOSISDBHSA-N 0 1 385.552 3.348 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H]3CCCN(Cc4ccccc4)C3=O)c(C)n2n1 ZINC000179496944 1429394723 /nfs/dbraw/zinc/39/47/23/1429394723.db2.gz FWRKNTCKBOIULS-OXQOHEQNSA-N 0 1 377.492 3.188 20 0 GGADMN CN(C(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1nc2ccccc2s1 ZINC000179493300 1429392978 /nfs/dbraw/zinc/39/29/78/1429392978.db2.gz DDEZUAHFKILOET-AWEZNQCLSA-N 0 1 396.520 3.134 20 0 GGADMN CN(C(=O)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1nc2ccccc2s1 ZINC000179493300 1429392991 /nfs/dbraw/zinc/39/29/91/1429392991.db2.gz DDEZUAHFKILOET-AWEZNQCLSA-N 0 1 396.520 3.134 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000179493994 1429393803 /nfs/dbraw/zinc/39/38/03/1429393803.db2.gz IAUOGWNXMQMKBB-QGZVFWFLSA-N 0 1 394.523 3.100 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H]3CCCN(c4ccccc4F)C3=O)c(C)n2n1 ZINC000179498990 1429396622 /nfs/dbraw/zinc/39/66/22/1429396622.db2.gz LPIDNVICDNWVDY-KBXCAEBGSA-N 0 1 381.455 3.331 20 0 GGADMN CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1CCCc2ccccc21 ZINC000821617884 1429396805 /nfs/dbraw/zinc/39/68/05/1429396805.db2.gz GWESKLNTGIHKIE-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN C[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1CCCc2ccccc21 ZINC000821617884 1429396807 /nfs/dbraw/zinc/39/68/07/1429396807.db2.gz GWESKLNTGIHKIE-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN C[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1CCCc2ccccc21 ZINC000821617884 1429396812 /nfs/dbraw/zinc/39/68/12/1429396812.db2.gz GWESKLNTGIHKIE-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504414 1429400116 /nfs/dbraw/zinc/40/01/16/1429400116.db2.gz UXDAGRCIWIYXOK-ZBFHGGJFSA-N 0 1 383.496 3.287 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179504414 1429400118 /nfs/dbraw/zinc/40/01/18/1429400118.db2.gz UXDAGRCIWIYXOK-ZBFHGGJFSA-N 0 1 383.496 3.287 20 0 GGADMN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000179509920 1429402244 /nfs/dbraw/zinc/40/22/44/1429402244.db2.gz REVVEMXOHINGGA-LJQANCHMSA-N 0 1 380.916 3.067 20 0 GGADMN COC[C@@H](C)n1c(C)cc(C(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C ZINC000179510402 1429402297 /nfs/dbraw/zinc/40/22/97/1429402297.db2.gz FXVBCMAVKQGYHY-QAPCUYQASA-N 0 1 399.539 3.370 20 0 GGADMN COC[C@@H](C)n1c(C)cc(C(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000179510402 1429402306 /nfs/dbraw/zinc/40/23/06/1429402306.db2.gz FXVBCMAVKQGYHY-QAPCUYQASA-N 0 1 399.539 3.370 20 0 GGADMN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179508354 1429401798 /nfs/dbraw/zinc/40/17/98/1429401798.db2.gz CBBSAAUVZJXVCJ-GHTZIAJQSA-N 0 1 388.471 3.043 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)c(F)c1 ZINC000179518681 1429405951 /nfs/dbraw/zinc/40/59/51/1429405951.db2.gz ZYNFDEXJAPOSFA-RBUKOAKNSA-N 0 1 395.425 3.394 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)c(F)c1 ZINC000179518674 1429406012 /nfs/dbraw/zinc/40/60/12/1429406012.db2.gz ZYNFDEXJAPOSFA-OALUTQOASA-N 0 1 395.425 3.394 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000826232237 1429407484 /nfs/dbraw/zinc/40/74/84/1429407484.db2.gz JNCHREARYLEWFY-VIFPVBQESA-N 0 1 392.797 3.088 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2cccnc2OCC(F)F)cc1 ZINC000179521273 1429407625 /nfs/dbraw/zinc/40/76/25/1429407625.db2.gz HCJUYKUGAFSNHZ-ZDUSSCGKSA-N 0 1 399.463 3.338 20 0 GGADMN CCn1nc(C)c(NC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c1C ZINC000179520050 1429407788 /nfs/dbraw/zinc/40/77/88/1429407788.db2.gz YZDSVZWXCOTLDV-UHFFFAOYSA-N 0 1 398.555 3.162 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NCC(=O)NCCCN2CCCCCC2=O)cc1 ZINC000179532034 1429413048 /nfs/dbraw/zinc/41/30/48/1429413048.db2.gz BWNXCBFVHQSADB-GOSISDBHSA-N 0 1 389.540 3.033 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NCC(=O)NC(=O)NCc2cccs2)cc1 ZINC000179530137 1429411821 /nfs/dbraw/zinc/41/18/21/1429411821.db2.gz SHWGIAHBEUFQKN-AWEZNQCLSA-N 0 1 375.494 3.212 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(CN2CCc3c(cccc3NC(C)=O)C2)cc1 ZINC000179532183 1429413166 /nfs/dbraw/zinc/41/31/66/1429413166.db2.gz FYGUQQDQROQNNU-OAHLLOKOSA-N 0 1 382.460 3.144 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000179533141 1429413788 /nfs/dbraw/zinc/41/37/88/1429413788.db2.gz JZHFMMZGXODORU-UHFFFAOYSA-N 0 1 383.376 3.319 20 0 GGADMN FC(F)Oc1ccc(CCNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000737639877 1429417001 /nfs/dbraw/zinc/41/70/01/1429417001.db2.gz XUKGDEGNBAJWHK-UHFFFAOYSA-N 0 1 382.374 3.093 20 0 GGADMN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000179544824 1429421931 /nfs/dbraw/zinc/42/19/31/1429421931.db2.gz WGRRJNKFCFSJCX-JLTOFOAXSA-N 0 1 380.492 3.292 20 0 GGADMN c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520843 1429422467 /nfs/dbraw/zinc/42/24/67/1429422467.db2.gz SLZHZRWTVQBYRJ-OXQOHEQNSA-N 0 1 379.464 3.003 20 0 GGADMN COc1ccc([C@H](C)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000179566331 1429437656 /nfs/dbraw/zinc/43/76/56/1429437656.db2.gz CPLZXVXGDRGYIB-GOSISDBHSA-N 0 1 397.519 3.206 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000179567768 1429438884 /nfs/dbraw/zinc/43/88/84/1429438884.db2.gz CFUDRRQVMMOHSW-ZDUSSCGKSA-N 0 1 388.349 3.382 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820723179 1429444021 /nfs/dbraw/zinc/44/40/21/1429444021.db2.gz WQRSRAZAALLXQS-YJYMSZOUSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccc(F)c1 ZINC000820723179 1429444023 /nfs/dbraw/zinc/44/40/23/1429444023.db2.gz WQRSRAZAALLXQS-YJYMSZOUSA-N 0 1 380.427 3.027 20 0 GGADMN COCCn1nc(C)c(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1C ZINC000179574557 1429443707 /nfs/dbraw/zinc/44/37/07/1429443707.db2.gz HEIAAQGZUGXOQY-QGZVFWFLSA-N 0 1 389.500 3.006 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)CNC(C)(C)c2cccc(F)c2)c(C)c1 ZINC000179575068 1429445629 /nfs/dbraw/zinc/44/56/29/1429445629.db2.gz TVMWHUHJAJNDBK-UHFFFAOYSA-N 0 1 385.483 3.331 20 0 GGADMN COc1cc(CN2CCC[C@@H](OCCO)C2)ccc1OCc1ccc(F)cc1 ZINC000179578861 1429448998 /nfs/dbraw/zinc/44/89/98/1429448998.db2.gz YEFPYXUOLIAPJH-HXUWFJFHSA-N 0 1 389.467 3.387 20 0 GGADMN COc1cc(CN2CCC[C@H](OCCO)C2)ccc1OCc1ccc(F)cc1 ZINC000179578850 1429449338 /nfs/dbraw/zinc/44/93/38/1429449338.db2.gz YEFPYXUOLIAPJH-FQEVSTJZSA-N 0 1 389.467 3.387 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179580699 1429450672 /nfs/dbraw/zinc/45/06/72/1429450672.db2.gz UAAIERPYLQONPH-ZDUSSCGKSA-N 0 1 392.402 3.388 20 0 GGADMN c1ccc([C@H]2OCCC[C@H]2CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000823780975 1429452449 /nfs/dbraw/zinc/45/24/49/1429452449.db2.gz XZFNNKWYTCAEPO-HRAATJIYSA-N 0 1 386.459 3.417 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000179586112 1429454217 /nfs/dbraw/zinc/45/42/17/1429454217.db2.gz FTLUOHPBQNQVGT-QWHCGFSZSA-N 0 1 383.439 3.486 20 0 GGADMN C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(OC(F)F)c1 ZINC000179587698 1429454885 /nfs/dbraw/zinc/45/48/85/1429454885.db2.gz ZNCNDALHPAAPBT-CYBMUJFWSA-N 0 1 384.448 3.389 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179587307 1429455166 /nfs/dbraw/zinc/45/51/66/1429455166.db2.gz QVVWSAMYHZPDKY-JTQLQIEISA-N 0 1 384.404 3.425 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179587315 1429455548 /nfs/dbraw/zinc/45/55/48/1429455548.db2.gz QVVWSAMYHZPDKY-SNVBAGLBSA-N 0 1 384.404 3.425 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179588730 1429456580 /nfs/dbraw/zinc/45/65/80/1429456580.db2.gz JYUAKRMTIQIMFR-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@H](NCC(=O)NCCOc1cccc(F)c1)c1cccc(OC(F)F)c1 ZINC000179594177 1429459758 /nfs/dbraw/zinc/45/97/58/1429459758.db2.gz HOQAZPHMQFLCDN-ZDUSSCGKSA-N 0 1 382.382 3.273 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179595265 1429460292 /nfs/dbraw/zinc/46/02/92/1429460292.db2.gz SYKBDORFMKTFCG-CHWSQXEVSA-N 0 1 391.418 3.325 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179595229 1429460477 /nfs/dbraw/zinc/46/04/77/1429460477.db2.gz SYKBDORFMKTFCG-STQMWFEESA-N 0 1 391.418 3.325 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)NC(=O)NCc1ccccc1 ZINC000179595049 1429460559 /nfs/dbraw/zinc/46/05/59/1429460559.db2.gz GIEUYTBMQZKYTE-KBPBESRZSA-N 0 1 391.418 3.353 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1 ZINC000179595502 1429460788 /nfs/dbraw/zinc/46/07/88/1429460788.db2.gz WNXHEQKIFOBFHA-GFCCVEGCSA-N 0 1 378.375 3.349 20 0 GGADMN COC(=O)c1sc2[nH]c(CNC(C)(C)c3cccc(C)c3)nc(=O)c2c1C ZINC000179591915 1429458082 /nfs/dbraw/zinc/45/80/82/1429458082.db2.gz UHDRPCZWHOMWQX-UHFFFAOYSA-N 0 1 385.489 3.413 20 0 GGADMN COCCn1nc(C)c(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1C ZINC000179594407 1429459149 /nfs/dbraw/zinc/45/91/49/1429459149.db2.gz APGJSCPMUUVVJU-UHFFFAOYSA-N 0 1 399.539 3.275 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179593202 1429459178 /nfs/dbraw/zinc/45/91/78/1429459178.db2.gz CALSCKQKVRYNIT-AWEZNQCLSA-N 0 1 378.419 3.306 20 0 GGADMN CCOc1ccccc1[C@H](CC)[NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825653622 1429459197 /nfs/dbraw/zinc/45/91/97/1429459197.db2.gz GROUGAAMQVIZQU-SFHVURJKSA-N 0 1 394.479 3.335 20 0 GGADMN Cc1cccc(C(C)(C)NCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000179593886 1429459413 /nfs/dbraw/zinc/45/94/13/1429459413.db2.gz HXCMTTHTLXBNMP-UHFFFAOYSA-N 0 1 396.459 3.455 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1cccc(F)c1)c1cccc(OC(F)F)c1 ZINC000179594186 1429459439 /nfs/dbraw/zinc/45/94/39/1429459439.db2.gz HOQAZPHMQFLCDN-CYBMUJFWSA-N 0 1 382.382 3.273 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(OC(F)F)c1 ZINC000179598092 1429462553 /nfs/dbraw/zinc/46/25/53/1429462553.db2.gz CAAQQDQGEJFMSU-MNOVXSKESA-N 0 1 390.390 3.135 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nn1 ZINC000179597333 1429462972 /nfs/dbraw/zinc/46/29/72/1429462972.db2.gz SUMANKDLEKRJTE-OAHLLOKOSA-N 0 1 389.463 3.108 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nn1 ZINC000179597333 1429462977 /nfs/dbraw/zinc/46/29/77/1429462977.db2.gz SUMANKDLEKRJTE-OAHLLOKOSA-N 0 1 389.463 3.108 20 0 GGADMN c1ccc(-c2nnc3ccc(N4CCC[C@H](c5nc(C6CC6)n[nH]5)C4)nn32)cc1 ZINC000179600549 1429464881 /nfs/dbraw/zinc/46/48/81/1429464881.db2.gz XBXYIYDVKOTUSA-INIZCTEOSA-N 0 1 386.463 3.171 20 0 GGADMN c1ccc(-c2nnc3ccc(N4CCC[C@H](c5n[nH]c(C6CC6)n5)C4)nn32)cc1 ZINC000179600549 1429464887 /nfs/dbraw/zinc/46/48/87/1429464887.db2.gz XBXYIYDVKOTUSA-INIZCTEOSA-N 0 1 386.463 3.171 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179604111 1429465947 /nfs/dbraw/zinc/46/59/47/1429465947.db2.gz OHLXZXDNLOYBST-CYBMUJFWSA-N 0 1 392.402 3.388 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000179605300 1429467710 /nfs/dbraw/zinc/46/77/10/1429467710.db2.gz IQNJRDZJQMMBIF-CYBMUJFWSA-N 0 1 391.418 3.279 20 0 GGADMN CC(C)(NCC(=O)NCCCN1CCCCCC1=O)c1cccc(Cl)c1 ZINC000179606485 1429467844 /nfs/dbraw/zinc/46/78/44/1429467844.db2.gz MJQDXDZJHRYVNG-UHFFFAOYSA-N 0 1 379.932 3.074 20 0 GGADMN CCOc1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000821418331 1429468099 /nfs/dbraw/zinc/46/80/99/1429468099.db2.gz ZXQCHDUXXZEYPZ-HXUWFJFHSA-N 0 1 381.480 3.209 20 0 GGADMN CCOc1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000821418331 1429468103 /nfs/dbraw/zinc/46/81/03/1429468103.db2.gz ZXQCHDUXXZEYPZ-HXUWFJFHSA-N 0 1 381.480 3.209 20 0 GGADMN CCOc1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000821418331 1429468107 /nfs/dbraw/zinc/46/81/07/1429468107.db2.gz ZXQCHDUXXZEYPZ-HXUWFJFHSA-N 0 1 381.480 3.209 20 0 GGADMN C[C@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(OC(F)F)cc1 ZINC000179613638 1429470867 /nfs/dbraw/zinc/47/08/67/1429470867.db2.gz VAHAZZABUQYSBY-ZDUSSCGKSA-N 0 1 382.382 3.273 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2nnc(C(C)C)s2)cc1OC ZINC000179619070 1429473657 /nfs/dbraw/zinc/47/36/57/1429473657.db2.gz FWHRDAXVIBVDFP-LBPRGKRZSA-N 0 1 378.498 3.276 20 0 GGADMN CC[C@@H](CSC)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000179621023 1429474488 /nfs/dbraw/zinc/47/44/88/1429474488.db2.gz SRPZXTDPONBSPJ-WBVHZDCISA-N 0 1 396.576 3.422 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000179622311 1429475327 /nfs/dbraw/zinc/47/53/27/1429475327.db2.gz RAYMNJKGSSYZPO-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179622040 1429475449 /nfs/dbraw/zinc/47/54/49/1429475449.db2.gz BIGRNVFKPIZRGU-UHFFFAOYSA-N 0 1 398.887 3.081 20 0 GGADMN O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179622040 1429475452 /nfs/dbraw/zinc/47/54/52/1429475452.db2.gz BIGRNVFKPIZRGU-UHFFFAOYSA-N 0 1 398.887 3.081 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)NCc1csc(CC(=O)N(C)C)n1 ZINC000179626781 1429477461 /nfs/dbraw/zinc/47/74/61/1429477461.db2.gz OHYQRCWFFLLZNU-GOSISDBHSA-N 0 1 396.944 3.160 20 0 GGADMN Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000737435385 1429476954 /nfs/dbraw/zinc/47/69/54/1429476954.db2.gz NFTHDNNIMYHAHC-QGZVFWFLSA-N 0 1 399.886 3.149 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179616427 1429472178 /nfs/dbraw/zinc/47/21/78/1429472178.db2.gz ZSSCQPDVCWRSRS-WDEREUQCSA-N 0 1 390.390 3.135 20 0 GGADMN C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736805182 1429472276 /nfs/dbraw/zinc/47/22/76/1429472276.db2.gz CIIYTYDYSFBNIH-UHFFFAOYSA-N 0 1 395.854 3.245 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OC(F)F)cc1 ZINC000179616416 1429472272 /nfs/dbraw/zinc/47/22/72/1429472272.db2.gz ZSSCQPDVCWRSRS-MNOVXSKESA-N 0 1 390.390 3.135 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000179616290 1429472279 /nfs/dbraw/zinc/47/22/79/1429472279.db2.gz KOSFYAKQVPMOID-CYBMUJFWSA-N 0 1 384.386 3.455 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)cc1OC ZINC000179617812 1429472889 /nfs/dbraw/zinc/47/28/89/1429472889.db2.gz ZTSJPPFGQYUYQC-QAPCUYQASA-N 0 1 384.476 3.303 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cn(C)nc2-c2ccccc2)N(C)C)c1 ZINC000179618449 1429472915 /nfs/dbraw/zinc/47/29/15/1429472915.db2.gz FYTBCLMOANJVQF-HXUWFJFHSA-N 0 1 378.476 3.128 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](C)Cc3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000179634057 1429481553 /nfs/dbraw/zinc/48/15/53/1429481553.db2.gz SYMVNAYGVDYUJT-BONVTDFDSA-N 0 1 398.294 3.134 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179633164 1429481740 /nfs/dbraw/zinc/48/17/40/1429481740.db2.gz CKNDDKWBHDGFOP-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@H]1COc2ccccc2O1 ZINC000179635828 1429482345 /nfs/dbraw/zinc/48/23/45/1429482345.db2.gz OMXOHSUAOOCWTC-KRWDZBQOSA-N 0 1 393.443 3.120 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736194623 1429485116 /nfs/dbraw/zinc/48/51/16/1429485116.db2.gz CBLNUSDWXXUNQW-HNAYVOBHSA-N 0 1 376.464 3.055 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCCc2ccccc2)ccc1OC(F)F ZINC000179643009 1429486300 /nfs/dbraw/zinc/48/63/00/1429486300.db2.gz WQHVUPZWMIUDIA-AWEZNQCLSA-N 0 1 378.419 3.306 20 0 GGADMN CCCCc1nnc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179642769 1429486402 /nfs/dbraw/zinc/48/64/02/1429486402.db2.gz JXKCWNPQGBYAPQ-GFCCVEGCSA-N 0 1 375.502 3.288 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000825282446 1429487292 /nfs/dbraw/zinc/48/72/92/1429487292.db2.gz SATLQWHDWKQLKP-UHFFFAOYSA-N 0 1 377.924 3.172 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825282446 1429487297 /nfs/dbraw/zinc/48/72/97/1429487297.db2.gz SATLQWHDWKQLKP-UHFFFAOYSA-N 0 1 377.924 3.172 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825282446 1429487300 /nfs/dbraw/zinc/48/73/00/1429487300.db2.gz SATLQWHDWKQLKP-UHFFFAOYSA-N 0 1 377.924 3.172 20 0 GGADMN Cc1cc(C)cc(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000179648528 1429488400 /nfs/dbraw/zinc/48/84/00/1429488400.db2.gz WWNSDVQIIZQYIO-QGZVFWFLSA-N 0 1 395.503 3.250 20 0 GGADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)c1 ZINC000179647849 1429488470 /nfs/dbraw/zinc/48/84/70/1429488470.db2.gz DXZAETZCIIULOL-QGZVFWFLSA-N 0 1 395.503 3.250 20 0 GGADMN CCc1ccc(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000179653122 1429490875 /nfs/dbraw/zinc/49/08/75/1429490875.db2.gz OXKPRNJCBQKZSS-INIZCTEOSA-N 0 1 395.503 3.196 20 0 GGADMN CN1CC[C@H](CNC(=O)NC2(CO)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179654786 1429492399 /nfs/dbraw/zinc/49/23/99/1429492399.db2.gz AWWANLIRTOWALN-PBHICJAKSA-N 0 1 383.895 3.076 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1Cc1ccccc1 ZINC000179655418 1429492562 /nfs/dbraw/zinc/49/25/62/1429492562.db2.gz RGVXBFCPQBOBRI-NRFANRHFSA-N 0 1 389.503 3.394 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179655568 1429492589 /nfs/dbraw/zinc/49/25/89/1429492589.db2.gz JZVHRLBXWNXIAG-LSBZLQRGSA-N 0 1 385.911 3.178 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)s1 ZINC000179656111 1429493242 /nfs/dbraw/zinc/49/32/42/1429493242.db2.gz FTQYSKHVUXTQFF-CYBMUJFWSA-N 0 1 388.489 3.043 20 0 GGADMN Cn1cc(CN2CCN(c3ncnc4sccc43)CC2)c(-c2ccccc2)n1 ZINC000179663968 1429496923 /nfs/dbraw/zinc/49/69/23/1429496923.db2.gz KTFOZTFCIQQDFP-UHFFFAOYSA-N 0 1 390.516 3.414 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000179664158 1429497241 /nfs/dbraw/zinc/49/72/41/1429497241.db2.gz NMPIEJRQCCVYGS-GOSISDBHSA-N 0 1 392.931 3.418 20 0 GGADMN COC(=O)C1(NC(=O)CN[C@@H](C)c2cccc(OC(C)C)c2)CCCCC1 ZINC000179666837 1429498328 /nfs/dbraw/zinc/49/83/28/1429498328.db2.gz NUAGIUOUPDPLOW-INIZCTEOSA-N 0 1 376.497 3.117 20 0 GGADMN C[C@H](c1ccncc1)N(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000179668648 1429499387 /nfs/dbraw/zinc/49/93/87/1429499387.db2.gz YXDNCLFEQZYJHR-QGZVFWFLSA-N 0 1 384.549 3.262 20 0 GGADMN O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179675188 1429502517 /nfs/dbraw/zinc/50/25/17/1429502517.db2.gz LGQNJVAWCATXKE-HNNXBMFYSA-N 0 1 377.452 3.279 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000179677542 1429502821 /nfs/dbraw/zinc/50/28/21/1429502821.db2.gz UBSYUGKDJXUHRA-OAHLLOKOSA-N 0 1 390.505 3.167 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000179678734 1429503583 /nfs/dbraw/zinc/50/35/83/1429503583.db2.gz CKJHRLPJXBAYRV-OAHLLOKOSA-N 0 1 382.468 3.360 20 0 GGADMN CCCO[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000179680340 1429504428 /nfs/dbraw/zinc/50/44/28/1429504428.db2.gz ZNADOMFCUOSKHG-ZDUSSCGKSA-N 0 1 394.422 3.247 20 0 GGADMN CCCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000179680328 1429504691 /nfs/dbraw/zinc/50/46/91/1429504691.db2.gz ZNADOMFCUOSKHG-CYBMUJFWSA-N 0 1 394.422 3.247 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2csnc2C)CC1 ZINC000179682447 1429505384 /nfs/dbraw/zinc/50/53/84/1429505384.db2.gz LPMXOOCMYNXZOZ-ZDUSSCGKSA-N 0 1 376.501 3.224 20 0 GGADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000179683530 1429506245 /nfs/dbraw/zinc/50/62/45/1429506245.db2.gz MCSQPHIDSDSSAP-UONOGXRCSA-N 0 1 382.464 3.321 20 0 GGADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000179683505 1429506342 /nfs/dbraw/zinc/50/63/42/1429506342.db2.gz MCSQPHIDSDSSAP-KBPBESRZSA-N 0 1 382.464 3.321 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179686507 1429506786 /nfs/dbraw/zinc/50/67/86/1429506786.db2.gz OOYMYHNQDYAUIV-AWEZNQCLSA-N 0 1 379.464 3.290 20 0 GGADMN CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c2ccccc21 ZINC000823975337 1429506815 /nfs/dbraw/zinc/50/68/15/1429506815.db2.gz XCJQOZKHKACFOO-PMACEKPBSA-N 0 1 388.475 3.332 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NC1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179690691 1429509197 /nfs/dbraw/zinc/50/91/97/1429509197.db2.gz JVBRTFPOUBAWLZ-INIZCTEOSA-N 0 1 396.491 3.080 20 0 GGADMN C[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1cccc(OCc2ccccn2)c1 ZINC000179695608 1429510776 /nfs/dbraw/zinc/51/07/76/1429510776.db2.gz JWFCMKSLNOIOCB-AWEZNQCLSA-N 0 1 381.398 3.380 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2cc(C)on2)ccc1OCc1ccncc1 ZINC000179700868 1429512927 /nfs/dbraw/zinc/51/29/27/1429512927.db2.gz CBVKSISQGGYQJP-HNNXBMFYSA-N 0 1 396.447 3.255 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000822741010 1429513009 /nfs/dbraw/zinc/51/30/09/1429513009.db2.gz PXZKTVZNAVDKPB-IBGZPJMESA-N 0 1 379.439 3.498 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2nccs2)ccc1OCc1ccncc1 ZINC000179699771 1429513136 /nfs/dbraw/zinc/51/31/36/1429513136.db2.gz BAMUPAHKOXELPV-CQSZACIVSA-N 0 1 398.488 3.415 20 0 GGADMN COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179702445 1429513546 /nfs/dbraw/zinc/51/35/46/1429513546.db2.gz WSIMFRWHXPHFLN-CYBMUJFWSA-N 0 1 387.415 3.019 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N[C@H](C)C(C)C)ccc1OCc1ccncc1 ZINC000179702731 1429513612 /nfs/dbraw/zinc/51/36/12/1429513612.db2.gz SOPCLKYOUPIRHN-IAGOWNOFSA-N 0 1 385.508 3.481 20 0 GGADMN O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179702656 1429513689 /nfs/dbraw/zinc/51/36/89/1429513689.db2.gz KBYDBBOYTXQXOS-QGZVFWFLSA-N 0 1 382.489 3.404 20 0 GGADMN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179701127 1429513744 /nfs/dbraw/zinc/51/37/44/1429513744.db2.gz IYKCWORQUSUWQW-ZDUSSCGKSA-N 0 1 398.891 3.184 20 0 GGADMN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179701141 1429513942 /nfs/dbraw/zinc/51/39/42/1429513942.db2.gz IYKCWORQUSUWQW-CYBMUJFWSA-N 0 1 398.891 3.184 20 0 GGADMN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179704531 1429514727 /nfs/dbraw/zinc/51/47/27/1429514727.db2.gz VBLRJPQEPHPYDF-LBPRGKRZSA-N 0 1 398.891 3.184 20 0 GGADMN CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179706427 1429516138 /nfs/dbraw/zinc/51/61/38/1429516138.db2.gz QGVWWQWYARPTQS-HNNXBMFYSA-N 0 1 382.468 3.360 20 0 GGADMN CC(C)C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[NH+](C)C ZINC000735772428 1429517703 /nfs/dbraw/zinc/51/77/03/1429517703.db2.gz SUINGRQQGDWCPE-LBPRGKRZSA-N 0 1 375.427 3.081 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1OC(F)F ZINC000179713506 1429518561 /nfs/dbraw/zinc/51/85/61/1429518561.db2.gz XHGPYTGSDJCQBX-CZUORRHYSA-N 0 1 398.450 3.129 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1OC(F)F ZINC000179721995 1429521918 /nfs/dbraw/zinc/52/19/18/1429521918.db2.gz YHGFEAMEQCUPEC-WBMJQRKESA-N 0 1 391.418 3.455 20 0 GGADMN CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000179716569 1429519604 /nfs/dbraw/zinc/51/96/04/1429519604.db2.gz RSFMDYDZSGSBOW-GOSISDBHSA-N 0 1 396.495 3.223 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000179719778 1429521097 /nfs/dbraw/zinc/52/10/97/1429521097.db2.gz VMBOWDZVARAOEH-UHFFFAOYSA-N 0 1 375.787 3.302 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N2CCO[C@H](C)C2)ccc1OCc1ccccc1 ZINC000179711172 1429517508 /nfs/dbraw/zinc/51/75/08/1429517508.db2.gz MAGNSIXUMARKFT-QZTJIDSGSA-N 0 1 398.503 3.172 20 0 GGADMN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1cccc(Cl)c1O ZINC000179722555 1429522585 /nfs/dbraw/zinc/52/25/85/1429522585.db2.gz DTILBUGLEWHDEX-UHFFFAOYSA-N 0 1 384.823 3.071 20 0 GGADMN CC(C)Oc1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000179724074 1429523506 /nfs/dbraw/zinc/52/35/06/1429523506.db2.gz NPDCTISCNJCPIN-UHFFFAOYSA-N 0 1 375.372 3.193 20 0 GGADMN CC[C@H](NCC(=O)Nc1cc(C)cc(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000179726566 1429524710 /nfs/dbraw/zinc/52/47/10/1429524710.db2.gz XBOPOFIEXWNJBB-FQEVSTJZSA-N 0 1 397.519 3.450 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc(C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000179726521 1429525077 /nfs/dbraw/zinc/52/50/77/1429525077.db2.gz GDJCVONHDBIJBN-LJQANCHMSA-N 0 1 383.492 3.141 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000179726507 1429525135 /nfs/dbraw/zinc/52/51/35/1429525135.db2.gz GDJCVONHDBIJBN-IBGZPJMESA-N 0 1 383.492 3.141 20 0 GGADMN CC[C@H](NCc1ncc(C)c(OC)c1C)c1ccccc1OCC(=O)N(C)C ZINC000179728336 1429525420 /nfs/dbraw/zinc/52/54/20/1429525420.db2.gz AAZWVEDQZXAVRE-SFHVURJKSA-N 0 1 385.508 3.415 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179729183 1429525543 /nfs/dbraw/zinc/52/55/43/1429525543.db2.gz IDLQDCXCLPTZEU-MRXNPFEDSA-N 0 1 396.495 3.233 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(CCO)Cc2cccnc2)c1 ZINC000152310224 1422069109 /nfs/dbraw/zinc/06/91/09/1422069109.db2.gz GJQWXENASKICFM-UHFFFAOYSA-N 0 1 389.499 3.348 20 0 GGADMN CCc1ccc(NC(=O)CN[C@H](CC)c2ccccc2OCC(=O)N(C)C)cc1 ZINC000179728545 1429525913 /nfs/dbraw/zinc/52/59/13/1429525913.db2.gz XLQZRTVINZNYMB-HXUWFJFHSA-N 0 1 397.519 3.395 20 0 GGADMN O=C(NCCOc1ccccc1Cl)NC1CCN(Cc2ccccn2)CC1 ZINC000152363290 1422083995 /nfs/dbraw/zinc/08/39/95/1422083995.db2.gz YUPYRKAUPVXFMZ-UHFFFAOYSA-N 0 1 388.899 3.078 20 0 GGADMN Cc1ccc([C@@H]2COCCN2C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)o1 ZINC000152391794 1422090866 /nfs/dbraw/zinc/09/08/66/1422090866.db2.gz UAYFPBYBFVFHMJ-INIZCTEOSA-N 0 1 398.488 3.374 20 0 GGADMN O=C(NC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1)c1ccccc1 ZINC000152393402 1422091174 /nfs/dbraw/zinc/09/11/74/1422091174.db2.gz LQDCDCAVLOXJLA-UHFFFAOYSA-N 0 1 392.434 3.250 20 0 GGADMN O=C(NCCc1cscn1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000152392374 1422091209 /nfs/dbraw/zinc/09/12/09/1422091209.db2.gz LOGWFXPKPXETAO-HNNXBMFYSA-N 0 1 398.454 3.278 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1F ZINC000152401921 1422093871 /nfs/dbraw/zinc/09/38/71/1422093871.db2.gz RJJASLWHHMOOSI-LJQANCHMSA-N 0 1 390.455 3.149 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n[nH]1 ZINC000152428741 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GGADMN COc1ccc(Oc2ccc(S(=O)(=O)N(C)C3CCN(C)CC3)cc2)cc1 ZINC000153079426 1422349235 /nfs/dbraw/zinc/34/92/35/1422349235.db2.gz DVBRESBSWCTQCZ-UHFFFAOYSA-N 0 1 390.505 3.202 20 0 GGADMN CN(CC(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)[C@@H]1CCSC1 ZINC000153089287 1422352203 /nfs/dbraw/zinc/35/22/03/1422352203.db2.gz QERUGIOJSDRWLS-GOSISDBHSA-N 0 1 396.516 3.289 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)c2C1 ZINC000179769534 1429551025 /nfs/dbraw/zinc/55/10/25/1429551025.db2.gz YYFGDNVQVOZRHJ-XJKSGUPXSA-N 0 1 383.414 3.054 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000153090572 1422353141 /nfs/dbraw/zinc/35/31/41/1422353141.db2.gz LWXUHVKLEHMDHN-MAUKXSAKSA-N 0 1 399.466 3.252 20 0 GGADMN CCCC[N@@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000179767922 1429550358 /nfs/dbraw/zinc/55/03/58/1429550358.db2.gz INXZXIPATPCEMX-UHFFFAOYSA-N 0 1 394.107 3.005 20 0 GGADMN COc1cccc(CNC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179760677 1429545543 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CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179772877 1429553143 /nfs/dbraw/zinc/55/31/43/1429553143.db2.gz ZUSUSUBTAIUYHE-AWEZNQCLSA-N 0 1 394.475 3.283 20 0 GGADMN C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577667 1429553296 /nfs/dbraw/zinc/55/32/96/1429553296.db2.gz MMNBBHIEJNAPKS-WMZOPIPTSA-N 0 1 394.498 3.221 20 0 GGADMN C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577667 1429553305 /nfs/dbraw/zinc/55/33/05/1429553305.db2.gz MMNBBHIEJNAPKS-WMZOPIPTSA-N 0 1 394.498 3.221 20 0 GGADMN C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577667 1429553312 /nfs/dbraw/zinc/55/33/12/1429553312.db2.gz MMNBBHIEJNAPKS-WMZOPIPTSA-N 0 1 394.498 3.221 20 0 GGADMN O=C(Nc1ccc(N2CCOCC2)cn1)c1cn[nH]c1-c1cccc(Cl)c1 ZINC000153257158 1422423651 /nfs/dbraw/zinc/42/36/51/1422423651.db2.gz MISVDOMMRSAHMT-UHFFFAOYSA-N 0 1 383.839 3.214 20 0 GGADMN CC(=O)NCCCc1ccc(-c2csc(NC(=O)Cc3cc(C)[nH]n3)n2)cc1 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DDBJWTIPWQZBEE-MOPGFXCFSA-N 0 1 394.604 3.223 20 0 GGADMN CC(C)C[C@@H]1CCCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000153288377 1422443047 /nfs/dbraw/zinc/44/30/47/1422443047.db2.gz SYRPIXWQNNMOPV-IBGZPJMESA-N 0 1 394.604 3.223 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](c3cccc(C)c3)C(F)(F)F)CCO2)n[nH]1 ZINC000153296731 1422449149 /nfs/dbraw/zinc/44/91/49/1422449149.db2.gz SSTVSTPKOZPLFN-ZFWWWQNUSA-N 0 1 397.401 3.062 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCOC2(CCCCC2)C1 ZINC000179780592 1429558433 /nfs/dbraw/zinc/55/84/33/1429558433.db2.gz QDCSCJBOFPVITP-UHFFFAOYSA-N 0 1 392.406 3.001 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824984648 1429558828 /nfs/dbraw/zinc/55/88/28/1429558828.db2.gz LRJWICKIAJSYTP-MGPUTAFESA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824984648 1429558832 /nfs/dbraw/zinc/55/88/32/1429558832.db2.gz LRJWICKIAJSYTP-MGPUTAFESA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824984648 1429558836 /nfs/dbraw/zinc/55/88/36/1429558836.db2.gz LRJWICKIAJSYTP-MGPUTAFESA-N 0 1 380.471 3.006 20 0 GGADMN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CCN(C2CCOCC2)CC1 ZINC000153313359 1422462338 /nfs/dbraw/zinc/46/23/38/1422462338.db2.gz KGBJGTNNKIJLGN-UHFFFAOYSA-N 0 1 378.472 3.452 20 0 GGADMN COc1ccc([C@H](OC)[C@H](C)Nc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000826189551 1429559990 /nfs/dbraw/zinc/55/99/90/1429559990.db2.gz YKTJLWAHXDWHSY-RNODOKPDSA-N 0 1 390.447 3.034 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(N2CCN(C)CC2)nc1 ZINC000153335470 1422476764 /nfs/dbraw/zinc/47/67/64/1422476764.db2.gz QADHOBZDNHZMGB-UHFFFAOYSA-N 0 1 394.498 3.387 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000153334685 1422477393 /nfs/dbraw/zinc/47/73/93/1422477393.db2.gz OHFQOQHMGYNHQJ-IBGZPJMESA-N 0 1 384.568 3.355 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000153338545 1422479264 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COc1ccccc1[C@H](CNC(=O)N1CCOC[C@H]1C1CC1)N1CCCCC1 ZINC000153365444 1422497339 /nfs/dbraw/zinc/49/73/39/1422497339.db2.gz DDOGOLUZQGVLAY-PMACEKPBSA-N 0 1 387.524 3.043 20 0 GGADMN COc1cccc(C=C2CC[NH+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821863524 1429562958 /nfs/dbraw/zinc/56/29/58/1429562958.db2.gz MORLDGYPXAZOIK-NRFANRHFSA-N 0 1 391.475 3.088 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cn(C)nc2-c2cccs2)n1 ZINC000153389380 1422509665 /nfs/dbraw/zinc/50/96/65/1422509665.db2.gz GELXKHINHKJFLR-UHFFFAOYSA-N 0 1 380.433 3.195 20 0 GGADMN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1cccc(N2CCCC2)c1 ZINC000153396843 1422514093 /nfs/dbraw/zinc/51/40/93/1422514093.db2.gz IQNTZOQDHVMDGC-ZDUSSCGKSA-N 0 1 394.500 3.303 20 0 GGADMN C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000153402584 1422517061 /nfs/dbraw/zinc/51/70/61/1422517061.db2.gz SUIDVZXEFWQNDU-MGPUTAFESA-N 0 1 382.460 3.426 20 0 GGADMN COc1cc(F)c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000179786119 1429563993 /nfs/dbraw/zinc/56/39/93/1429563993.db2.gz REEISANGCZFESY-GFCCVEGCSA-N 0 1 389.431 3.250 20 0 GGADMN C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc([S@@](C)=O)cc1 ZINC000153410690 1422521265 /nfs/dbraw/zinc/52/12/65/1422521265.db2.gz RXSKOELFMGEHMP-AGBIPYHCSA-N 0 1 386.517 3.392 20 0 GGADMN CC(=O)OC1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000153419556 1422525183 /nfs/dbraw/zinc/52/51/83/1422525183.db2.gz KGRCDKQYJIKENN-QGZVFWFLSA-N 0 1 380.488 3.308 20 0 GGADMN CCCCn1ccnc1-c1cccc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1 ZINC000153422893 1422527713 /nfs/dbraw/zinc/52/77/13/1422527713.db2.gz KEAPWCALXPTDAY-UHFFFAOYSA-N 0 1 399.539 3.271 20 0 GGADMN CCc1nn(C)cc1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000179788895 1429564970 /nfs/dbraw/zinc/56/49/70/1429564970.db2.gz QNNKZROVVMFLPD-UHFFFAOYSA-N 0 1 394.441 3.349 20 0 GGADMN CC[C@@H](NC[C@H](O)COc1ccc(C(=O)OC)cc1)c1cc(F)ccc1F ZINC000179788503 1429565073 /nfs/dbraw/zinc/56/50/73/1429565073.db2.gz PBWUBQNMQJHSIN-HNAYVOBHSA-N 0 1 379.403 3.232 20 0 GGADMN C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(O)c1)C(=O)c1cccc(F)c1 ZINC000153429833 1422531205 /nfs/dbraw/zinc/53/12/05/1422531205.db2.gz PAUZKTFQCWOAFJ-MRXNPFEDSA-N 0 1 386.467 3.331 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153434491 1422534818 /nfs/dbraw/zinc/53/48/18/1422534818.db2.gz JJSDDJHCDFFEJJ-INIZCTEOSA-N 0 1 378.879 3.199 20 0 GGADMN CCCCn1ccnc1-c1cccc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000153436605 1422535112 /nfs/dbraw/zinc/53/51/12/1422535112.db2.gz FSVVTFKQMWXJPA-SFHVURJKSA-N 0 1 398.555 3.108 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCOc4cc(F)ccc43)n2)cc1 ZINC000153443141 1422539029 /nfs/dbraw/zinc/53/90/29/1422539029.db2.gz FFXYLKOLTSYAAT-UHFFFAOYSA-N 0 1 384.436 3.437 20 0 GGADMN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000153444375 1422540132 /nfs/dbraw/zinc/54/01/32/1422540132.db2.gz HAFZSPFJXUNOFN-UHFFFAOYSA-N 0 1 397.519 3.388 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000153457181 1422547245 /nfs/dbraw/zinc/54/72/45/1422547245.db2.gz BLXUKGSMURBZEF-FQEVSTJZSA-N 0 1 399.410 3.152 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCc2cc3ccccc3[nH]2)N(C)C)c1 ZINC000153463891 1422551543 /nfs/dbraw/zinc/55/15/43/1422551543.db2.gz LFVMSGNTWLFLDL-OAQYLSRUSA-N 0 1 380.492 3.321 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NCCCSC)CC2)c1C ZINC000153483072 1422562121 /nfs/dbraw/zinc/56/21/21/1422562121.db2.gz MVCWYPAGGPTDSF-UHFFFAOYSA-N 0 1 394.585 3.066 20 0 GGADMN Fc1cccc(F)c1-c1nc(CN2CCC[C@@H](CN3CCOCC3)C2)co1 ZINC000153519382 1422581947 /nfs/dbraw/zinc/58/19/47/1422581947.db2.gz CNUDSWWAGBQPDG-HNNXBMFYSA-N 0 1 377.435 3.164 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3csc(S(C)(=O)=O)c3)[nH]c2c1 ZINC000179792991 1429569244 /nfs/dbraw/zinc/56/92/44/1429569244.db2.gz MYFRBICUEHNZRJ-HNNXBMFYSA-N 0 1 389.502 3.314 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153524006 1422584161 /nfs/dbraw/zinc/58/41/61/1422584161.db2.gz JIJJMUHMKHWAJF-HWLIBYHHSA-N 0 1 397.922 3.417 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153523883 1422585011 /nfs/dbraw/zinc/58/50/11/1422585011.db2.gz JIJJMUHMKHWAJF-FVQSIRDASA-N 0 1 397.922 3.417 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3csc(S(C)(=O)=O)c3)[nH]c2c1 ZINC000179793008 1429569501 /nfs/dbraw/zinc/56/95/01/1429569501.db2.gz MYFRBICUEHNZRJ-OAHLLOKOSA-N 0 1 389.502 3.314 20 0 GGADMN CC(=O)OC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000153526066 1422585829 /nfs/dbraw/zinc/58/58/29/1422585829.db2.gz KREBZVPCRCFQPX-UHFFFAOYSA-N 0 1 380.488 3.262 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3C)nn2C)CCN1CCOC ZINC000153545149 1422601246 /nfs/dbraw/zinc/60/12/46/1422601246.db2.gz XRDDDNUEOCNPML-GOSISDBHSA-N 0 1 399.539 3.360 20 0 GGADMN CN1CC[C@H](CNC(=O)NC[C@H](O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153550106 1422605270 /nfs/dbraw/zinc/60/52/70/1422605270.db2.gz DFQWIOZKIFJOBE-SKDZVZGDSA-N 0 1 395.862 3.098 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1)N1CCN(C)CC1 ZINC000153565923 1422621516 /nfs/dbraw/zinc/62/15/16/1422621516.db2.gz MGCMAYILJIZOTI-SFTDATJTSA-N 0 1 386.584 3.094 20 0 GGADMN CC(C)[C@H](CCO)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153567704 1422622931 /nfs/dbraw/zinc/62/29/31/1422622931.db2.gz ZOSAJHMOHFAZTF-FHLIZLRMSA-N 0 1 385.911 3.178 20 0 GGADMN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000153572636 1422626262 /nfs/dbraw/zinc/62/62/62/1422626262.db2.gz MYBHNSAOQBWKFL-PDWMJMLSSA-N 0 1 397.922 3.274 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC2(O)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153580067 1422631702 /nfs/dbraw/zinc/63/17/02/1422631702.db2.gz BQXLYMYNKJXXPC-YJBOKZPZSA-N 0 1 397.922 3.466 20 0 GGADMN CCC(O)(CC)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153580666 1422631856 /nfs/dbraw/zinc/63/18/56/1422631856.db2.gz HMOJVXQKBLEBHY-WMLDXEAASA-N 0 1 385.911 3.322 20 0 GGADMN CCN1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000153585904 1422633965 /nfs/dbraw/zinc/63/39/65/1422633965.db2.gz XNVNTAUUFWCYBI-GFCCVEGCSA-N 0 1 380.464 3.053 20 0 GGADMN CN(CCc1cccs1)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179801374 1429574248 /nfs/dbraw/zinc/57/42/48/1429574248.db2.gz SSQILGNUJAKIAS-UHFFFAOYSA-N 0 1 378.404 3.202 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N(Cc1ccco1)Cc1cccnc1 ZINC000153628512 1422658068 /nfs/dbraw/zinc/65/80/68/1422658068.db2.gz VBXUSZOITBEKFA-UHFFFAOYSA-N 0 1 378.504 3.136 20 0 GGADMN CN(Cc1cccc2nccn21)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000179801702 1429575605 /nfs/dbraw/zinc/57/56/05/1429575605.db2.gz YEAJDXWWBBJRLI-HNNXBMFYSA-N 0 1 379.382 3.225 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CCN1C[C@@H](C)O ZINC000153638096 1422666320 /nfs/dbraw/zinc/66/63/20/1422666320.db2.gz FYCDSJJIYHYARA-GDBMZVCRSA-N 0 1 388.512 3.434 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)cn2)CC1 ZINC000179803721 1429576500 /nfs/dbraw/zinc/57/65/00/1429576500.db2.gz GMGXNBHDJORLMF-UHFFFAOYSA-N 0 1 396.491 3.041 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000179804062 1429577602 /nfs/dbraw/zinc/57/76/02/1429577602.db2.gz YMUCRTSLFCSSRF-UHFFFAOYSA-N 0 1 383.492 3.446 20 0 GGADMN COCCN(CCC(=O)OC)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000153665877 1422690676 /nfs/dbraw/zinc/69/06/76/1422690676.db2.gz KBSCMQRHCQCTMW-UHFFFAOYSA-N 0 1 377.872 3.117 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccccc2NCc2ccco2)CC[N@H+]1CCOC ZINC000153681652 1422699237 /nfs/dbraw/zinc/69/92/37/1422699237.db2.gz KUXPGHUUNIRVLP-SFHVURJKSA-N 0 1 385.508 3.465 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccccc2NCc2ccco2)CCN1CCOC ZINC000153681652 1422699253 /nfs/dbraw/zinc/69/92/53/1422699253.db2.gz KUXPGHUUNIRVLP-SFHVURJKSA-N 0 1 385.508 3.465 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCCO2)N2CCCCC2)cc1 ZINC000153683498 1422700792 /nfs/dbraw/zinc/70/07/92/1422700792.db2.gz XECXIPQGCJFYCD-TZIWHRDSSA-N 0 1 375.513 3.091 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@]2(C)CCCO2)N2CCCCC2)cc1 ZINC000153683394 1422700977 /nfs/dbraw/zinc/70/09/77/1422700977.db2.gz XECXIPQGCJFYCD-FPOVZHCZSA-N 0 1 375.513 3.091 20 0 GGADMN COC(=O)c1coc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000153686021 1422701714 /nfs/dbraw/zinc/70/17/14/1422701714.db2.gz DQQPZOXOPIKWNY-CQSZACIVSA-N 0 1 380.326 3.082 20 0 GGADMN C[C@@](O)(CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000153710759 1422715112 /nfs/dbraw/zinc/71/51/12/1422715112.db2.gz JRTAZASNAFLAMG-HXUWFJFHSA-N 0 1 391.512 3.059 20 0 GGADMN Cc1ccccc1C(C)(C)CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000153719688 1422720308 /nfs/dbraw/zinc/72/03/08/1422720308.db2.gz YVFBPDWIIUNTEI-QFIPXVFZSA-N 0 1 390.531 3.204 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H]3CCCc4ccc(C(C)C)cc43)CCO2)n[nH]1 ZINC000153723144 1422722725 /nfs/dbraw/zinc/72/27/25/1422722725.db2.gz DPLLZWKHTAFFSG-RTBURBONSA-N 0 1 383.496 3.397 20 0 GGADMN COc1cc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(Cl)c1[O-] ZINC000153729815 1422727341 /nfs/dbraw/zinc/72/73/41/1422727341.db2.gz YWAZSMORLGQBCM-ZIAGYGMSSA-N 0 1 396.915 3.016 20 0 GGADMN Fc1cccc(N2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)c1F ZINC000822792153 1429581468 /nfs/dbraw/zinc/58/14/68/1429581468.db2.gz PNSRWWFRIVHLOO-UHFFFAOYSA-N 0 1 393.401 3.020 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CC[C@]3(CCOC3)C2)cs1 ZINC000153757809 1422740259 /nfs/dbraw/zinc/74/02/59/1422740259.db2.gz KPZIRVYGRKSFTH-NRFANRHFSA-N 0 1 383.517 3.120 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000179809004 1429582727 /nfs/dbraw/zinc/58/27/27/1429582727.db2.gz OFLLCDRTJNMEBO-OAQYLSRUSA-N 0 1 380.467 3.091 20 0 GGADMN CO[C@H](C)c1noc(CCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000153777758 1422751918 /nfs/dbraw/zinc/75/19/18/1422751918.db2.gz AHHUXCVQRDFPJM-MRVPVSSYSA-N 0 1 383.330 3.243 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000153784831 1422756436 /nfs/dbraw/zinc/75/64/36/1422756436.db2.gz JGPQORDOYLEGAN-NQIIRXRSSA-N 0 1 377.529 3.073 20 0 GGADMN COC[C@H](O)CCNCc1c(C)nn(-c2cccc(C(F)(F)F)c2)c1Cl ZINC000153787482 1422757319 /nfs/dbraw/zinc/75/73/19/1422757319.db2.gz AVZFPCOTJLLHIO-CQSZACIVSA-N 0 1 391.821 3.340 20 0 GGADMN CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCS1 ZINC000179809927 1429583462 /nfs/dbraw/zinc/58/34/62/1429583462.db2.gz LBYXHWHXDBEIJK-CYBMUJFWSA-N 0 1 382.436 3.039 20 0 GGADMN CCc1ccc([C@@H]2COCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)o1 ZINC000153798264 1422763684 /nfs/dbraw/zinc/76/36/84/1422763684.db2.gz HRSIUUUFPMEWSB-IBGZPJMESA-N 0 1 381.432 3.454 20 0 GGADMN Cc1cccc([C@H](C)NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1C ZINC000153799796 1422764602 /nfs/dbraw/zinc/76/46/02/1422764602.db2.gz BJLAYCCRJDGHKU-JBACZVJFSA-N 0 1 381.520 3.299 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179810781 1429584487 /nfs/dbraw/zinc/58/44/87/1429584487.db2.gz BWJYDQWDAFJNHW-CRAIPNDOSA-N 0 1 397.479 3.261 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NO[C@@H]2CCCCO2)CC1 ZINC000153812193 1422774303 /nfs/dbraw/zinc/77/43/03/1422774303.db2.gz ISRGIOKEBRYSSU-QGZVFWFLSA-N 0 1 382.892 3.062 20 0 GGADMN NC(=O)c1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000179812834 1429585609 /nfs/dbraw/zinc/58/56/09/1429585609.db2.gz BJQLKHGHOQKHOR-NRFANRHFSA-N 0 1 391.446 3.437 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C[C@@H](C)N1 ZINC000153827788 1422783022 /nfs/dbraw/zinc/78/30/22/1422783022.db2.gz BMXXEULBQVIYFJ-ZIAGYGMSSA-N 0 1 383.517 3.312 20 0 GGADMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(C)C[C@H]3C(C)C)c12 ZINC000153832217 1422785927 /nfs/dbraw/zinc/78/59/27/1422785927.db2.gz QDNDNPAGWCAVOY-FQEVSTJZSA-N 0 1 391.519 3.356 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000826518422 1429586861 /nfs/dbraw/zinc/58/68/61/1429586861.db2.gz NINSSSWLACPWDB-SJLPKXTDSA-N 0 1 385.537 3.279 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@@H](C)CSC)CC2)c1C ZINC000153874253 1422803113 /nfs/dbraw/zinc/80/31/13/1422803113.db2.gz OFSAIVSANGZVJL-HNNXBMFYSA-N 0 1 394.585 3.064 20 0 GGADMN COc1ccccc1[C@H](C)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000153877508 1422803900 /nfs/dbraw/zinc/80/39/00/1422803900.db2.gz LJECTSYWFYGDAS-INIZCTEOSA-N 0 1 376.522 3.374 20 0 GGADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(C)C[C@@H]3C(C)C)c12 ZINC000153882907 1422804881 /nfs/dbraw/zinc/80/48/81/1422804881.db2.gz UQLVPMOBWBPHIR-QGZVFWFLSA-N 0 1 397.548 3.417 20 0 GGADMN CN(CC(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1)[C@@H]1CCSC1 ZINC000153903028 1422807972 /nfs/dbraw/zinc/80/79/72/1422807972.db2.gz MYIBPAPLIPTVGE-MOPGFXCFSA-N 0 1 390.574 3.248 20 0 GGADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153909193 1422809074 /nfs/dbraw/zinc/80/90/74/1422809074.db2.gz ZOQJKORVOJRJBG-BETUJISGSA-N 0 1 375.469 3.270 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000153936967 1422813635 /nfs/dbraw/zinc/81/36/35/1422813635.db2.gz RNVSJXGBBOMCPR-KRWDZBQOSA-N 0 1 377.435 3.351 20 0 GGADMN Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000153944161 1422815079 /nfs/dbraw/zinc/81/50/79/1422815079.db2.gz PEIYDJOSLHJEQF-UHFFFAOYSA-N 0 1 393.896 3.140 20 0 GGADMN C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C[C@H](C)N1 ZINC000153946398 1422815102 /nfs/dbraw/zinc/81/51/02/1422815102.db2.gz NHRBPYBNZPHKNW-IYBDPMFKSA-N 0 1 391.471 3.436 20 0 GGADMN Cc1c(C[NH+]2CCSCC2)cccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000153963958 1422817949 /nfs/dbraw/zinc/81/79/49/1422817949.db2.gz LATYJEHGFQLFNP-UHFFFAOYSA-N 0 1 394.566 3.122 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000153988000 1422821447 /nfs/dbraw/zinc/82/14/47/1422821447.db2.gz UAJQFLNVFFYYDV-UHFFFAOYSA-N 0 1 389.496 3.005 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1F ZINC000153994754 1422822431 /nfs/dbraw/zinc/82/24/31/1422822431.db2.gz CMIKOEFICGTGHE-UHFFFAOYSA-N 0 1 398.265 3.449 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000153997112 1422822761 /nfs/dbraw/zinc/82/27/61/1422822761.db2.gz NEKBOZJTBGOBML-IBGZPJMESA-N 0 1 398.503 3.036 20 0 GGADMN O=C(CCCn1cccc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000153999621 1422823671 /nfs/dbraw/zinc/82/36/71/1422823671.db2.gz QMMWQVDGUQFWJS-SFHVURJKSA-N 0 1 375.900 3.408 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000154001797 1422823701 /nfs/dbraw/zinc/82/37/01/1422823701.db2.gz SYBHBGAAOUQUSW-UHFFFAOYSA-N 0 1 389.496 3.005 20 0 GGADMN CC(C)CC[C@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000154003913 1422823882 /nfs/dbraw/zinc/82/38/82/1422823882.db2.gz NNFDZJRNHGFRCW-LJQANCHMSA-N 0 1 394.604 3.223 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F ZINC000154007315 1422824531 /nfs/dbraw/zinc/82/45/31/1422824531.db2.gz FNSGRSPUJAJUIM-UHFFFAOYSA-N 0 1 398.265 3.449 20 0 GGADMN CCO[C@H]1C[C@H](N(C)CC(=O)NCCc2nc3ccccc3s2)C12CCC2 ZINC000154015552 1422825767 /nfs/dbraw/zinc/82/57/67/1422825767.db2.gz HKBUMNIFLXSOPK-ROUUACIJSA-N 0 1 387.549 3.235 20 0 GGADMN CCc1cccc(CC)c1NC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000154016536 1422826162 /nfs/dbraw/zinc/82/61/62/1422826162.db2.gz QVIRTVIVABAEOR-UHFFFAOYSA-N 0 1 385.483 3.267 20 0 GGADMN CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C[NH+](C)C)ccc2C)cc1 ZINC000154027291 1422828040 /nfs/dbraw/zinc/82/80/40/1422828040.db2.gz UJJNSRNAPRECRK-UHFFFAOYSA-N 0 1 390.505 3.424 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@@H]3C(C)C)C2)c1 ZINC000154033442 1422829458 /nfs/dbraw/zinc/82/94/58/1422829458.db2.gz JJCCKNPFEJAQPT-AZUAARDMSA-N 0 1 386.540 3.038 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C[NH+](C)C)ccc2C)cc1 ZINC000154035972 1422829812 /nfs/dbraw/zinc/82/98/12/1422829812.db2.gz CICBSDYSZPMAHD-UHFFFAOYSA-N 0 1 376.478 3.034 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C[NH+](C)C)ccc2C)c1 ZINC000154041269 1422830306 /nfs/dbraw/zinc/83/03/06/1422830306.db2.gz CXTZFMYWAVWCFJ-UHFFFAOYSA-N 0 1 396.896 3.297 20 0 GGADMN CCCCN(CCO)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000154045068 1422831161 /nfs/dbraw/zinc/83/11/61/1422831161.db2.gz NVCWZRUUVIMQSB-MRXNPFEDSA-N 0 1 375.494 3.113 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@@H](C)N1 ZINC000154048882 1422831763 /nfs/dbraw/zinc/83/17/63/1422831763.db2.gz FJDIVWUIYNPDHD-UMVBOHGHSA-N 0 1 398.334 3.054 20 0 GGADMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154050461 1422831782 /nfs/dbraw/zinc/83/17/82/1422831782.db2.gz AMBICWHCLIILBU-UHFFFAOYSA-N 0 1 383.857 3.419 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000154051345 1422832203 /nfs/dbraw/zinc/83/22/03/1422832203.db2.gz LQZPFVZLFYLKCO-INIZCTEOSA-N 0 1 376.888 3.121 20 0 GGADMN O=C(CN1CC[C@]2(CCOC2)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000154057655 1422833187 /nfs/dbraw/zinc/83/31/87/1422833187.db2.gz QNVQHOPVDUNVGL-YADHBBJMSA-N 0 1 382.529 3.335 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000154079793 1422837267 /nfs/dbraw/zinc/83/72/67/1422837267.db2.gz QQTIDZYOUUNRES-OAHLLOKOSA-N 0 1 397.972 3.052 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000154079731 1422837331 /nfs/dbraw/zinc/83/73/31/1422837331.db2.gz QQTIDZYOUUNRES-HNNXBMFYSA-N 0 1 397.972 3.052 20 0 GGADMN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NOCc1cccnc1 ZINC000154112493 1422842211 /nfs/dbraw/zinc/84/22/11/1422842211.db2.gz QDXRXWAMIJFNFC-INIZCTEOSA-N 0 1 397.378 3.079 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)N[C@H]1CCOC2(CCCC2)C1 ZINC000154114620 1422842690 /nfs/dbraw/zinc/84/26/90/1422842690.db2.gz DOPSNOZATPCFHT-IBGZPJMESA-N 0 1 393.572 3.060 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000154135317 1422844802 /nfs/dbraw/zinc/84/48/02/1422844802.db2.gz PLLLCDZCRISOSJ-FQEVSTJZSA-N 0 1 381.948 3.402 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179822724 1429595615 /nfs/dbraw/zinc/59/56/15/1429595615.db2.gz KLYIEBBCKAYIBE-CQSZACIVSA-N 0 1 376.363 3.487 20 0 GGADMN Cc1c([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cnn1-c1ccc(F)cc1 ZINC000154191873 1422852818 /nfs/dbraw/zinc/85/28/18/1422852818.db2.gz CZOZJXXLGRIFBJ-SZNDQCEHSA-N 0 1 378.451 3.212 20 0 GGADMN Cc1c([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cnn1-c1ccc(F)cc1 ZINC000154191980 1422852883 /nfs/dbraw/zinc/85/28/83/1422852883.db2.gz CZOZJXXLGRIFBJ-QKKBWIMNSA-N 0 1 378.451 3.212 20 0 GGADMN Cn1cc([C@@H](NCCc2cc(F)cc3c2OCOC3)c2cccc(F)c2)cn1 ZINC000154190961 1422852952 /nfs/dbraw/zinc/85/29/52/1422852952.db2.gz GVCUJOIBJQSBRI-FQEVSTJZSA-N 0 1 385.414 3.487 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)n1C1CC1 ZINC000154195344 1422853249 /nfs/dbraw/zinc/85/32/49/1422853249.db2.gz FQPITARGBZDCOX-KNQAVFIVSA-N 0 1 381.520 3.053 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000154197872 1422853741 /nfs/dbraw/zinc/85/37/41/1422853741.db2.gz SVVLGVSNNPUMGW-AOMKIAJQSA-N 0 1 395.503 3.405 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000154198110 1422853771 /nfs/dbraw/zinc/85/37/71/1422853771.db2.gz SVVLGVSNNPUMGW-KSFYIVLOSA-N 0 1 395.503 3.405 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(OC)cc2OC)cc1 ZINC000154205612 1422854807 /nfs/dbraw/zinc/85/48/07/1422854807.db2.gz ZFCXBMUNSIXGLG-UONOGXRCSA-N 0 1 378.494 3.024 20 0 GGADMN O=C(CCc1cc(Cl)cs1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154207763 1422855107 /nfs/dbraw/zinc/85/51/07/1422855107.db2.gz DOWQKHLSWUTXHJ-VQIMIIECSA-N 0 1 392.952 3.333 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179822709 1429595902 /nfs/dbraw/zinc/59/59/02/1429595902.db2.gz KLYIEBBCKAYIBE-AWEZNQCLSA-N 0 1 376.363 3.487 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000154215849 1422856544 /nfs/dbraw/zinc/85/65/44/1422856544.db2.gz TWLWPYMIAUFYTN-KRWDZBQOSA-N 0 1 398.503 3.036 20 0 GGADMN COc1ccc2c(c1)[C@H](NCc1cccc(C(=O)NC[C@@H]3CCCO3)c1)CC2 ZINC000154217978 1422856899 /nfs/dbraw/zinc/85/68/99/1422856899.db2.gz UNCOQIJUFKJUNX-RBBKRZOGSA-N 0 1 380.488 3.381 20 0 GGADMN CCCOc1cccc(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000154219065 1422857136 /nfs/dbraw/zinc/85/71/36/1422857136.db2.gz XYMSWWPRNCJWBR-GGAORHGYSA-N 0 1 396.531 3.017 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NC[C@@H]3CCCO3)c1)CC2 ZINC000154218071 1422857146 /nfs/dbraw/zinc/85/71/46/1422857146.db2.gz UNCOQIJUFKJUNX-UNMCSNQZSA-N 0 1 380.488 3.381 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NC[C@H]3CCCO3)c1)CC2 ZINC000154218235 1422857300 /nfs/dbraw/zinc/85/73/00/1422857300.db2.gz UNCOQIJUFKJUNX-IRLDBZIGSA-N 0 1 380.488 3.381 20 0 GGADMN CN1CC[C@H](CNC(=O)C(=O)Nc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000154229338 1422858788 /nfs/dbraw/zinc/85/87/88/1422858788.db2.gz BGPYXQHEXZTFEP-KDOFPFPSSA-N 0 1 389.858 3.227 20 0 GGADMN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccc3nc(C(F)F)[nH]c3c1)C2=O ZINC000179824095 1429596209 /nfs/dbraw/zinc/59/62/09/1429596209.db2.gz FCTMDHGXYDUFEK-SNVBAGLBSA-N 0 1 398.369 3.432 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cccc(NC(N)=O)c1)N1CCCCC1 ZINC000154232495 1422859363 /nfs/dbraw/zinc/85/93/63/1422859363.db2.gz XDPVDSLUERKCRK-IBGZPJMESA-N 0 1 396.491 3.143 20 0 GGADMN C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000154237840 1422860050 /nfs/dbraw/zinc/86/00/50/1422860050.db2.gz XGIKFSBJEJBCQD-OXJNMPFZSA-N 0 1 396.487 3.217 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4nccnc4c3)n2)cc1 ZINC000154245119 1422861167 /nfs/dbraw/zinc/86/11/67/1422861167.db2.gz SYRPESYZUNFWJA-UHFFFAOYSA-N 0 1 376.445 3.454 20 0 GGADMN Cc1nc(COc2ccccc2C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)no1 ZINC000154257729 1422863221 /nfs/dbraw/zinc/86/32/21/1422863221.db2.gz BLDFNBDVKVQEMI-GOSISDBHSA-N 0 1 398.438 3.129 20 0 GGADMN C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc2c(c1)OCO2 ZINC000154263602 1422863779 /nfs/dbraw/zinc/86/37/79/1422863779.db2.gz VWQFHIACXBUSED-HNAYVOBHSA-N 0 1 382.460 3.175 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 ZINC000154263873 1422863872 /nfs/dbraw/zinc/86/38/72/1422863872.db2.gz NIBLEUKRQIAYIW-DYESRHJHSA-N 0 1 399.491 3.174 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@H](C)c3ccccc3)nc2c1 ZINC000154266374 1422864219 /nfs/dbraw/zinc/86/42/19/1422864219.db2.gz RUXQAPQAHKJNEK-OAHLLOKOSA-N 0 1 386.521 3.444 20 0 GGADMN C[C@H](NCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000154267467 1422864346 /nfs/dbraw/zinc/86/43/46/1422864346.db2.gz LXZPFBWBKOAWST-AWEZNQCLSA-N 0 1 393.409 3.453 20 0 GGADMN C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)C[C@H](C)N1 ZINC000154273407 1422865213 /nfs/dbraw/zinc/86/52/13/1422865213.db2.gz SVBYGEIGIGHTOP-BETUJISGSA-N 0 1 376.451 3.406 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000154276252 1422866076 /nfs/dbraw/zinc/86/60/76/1422866076.db2.gz SAMVVEYUJKFDPM-GOSISDBHSA-N 0 1 397.567 3.157 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccccc1 ZINC000154283897 1422867114 /nfs/dbraw/zinc/86/71/14/1422867114.db2.gz CALYOJBDJNPQCD-PXNSSMCTSA-N 0 1 387.499 3.111 20 0 GGADMN Cc1c2ccccc2oc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154287643 1422867571 /nfs/dbraw/zinc/86/75/71/1422867571.db2.gz RCESEOYVAZLHGV-QUCCMNQESA-N 0 1 378.472 3.354 20 0 GGADMN Cc1c2ccccc2oc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154287549 1422867642 /nfs/dbraw/zinc/86/76/42/1422867642.db2.gz RCESEOYVAZLHGV-UYAOXDASSA-N 0 1 378.472 3.354 20 0 GGADMN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2[nH]nc3c2cccc3Cl)c1C ZINC000154288213 1422867714 /nfs/dbraw/zinc/86/77/14/1422867714.db2.gz UVHNRXBKEVNSEO-UHFFFAOYSA-N 0 1 390.827 3.217 20 0 GGADMN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000154288256 1422867731 /nfs/dbraw/zinc/86/77/31/1422867731.db2.gz SDQYKUWPHGWOHL-DLBZAZTESA-N 0 1 380.529 3.125 20 0 GGADMN CN1CCO[C@H]([C@H](NCc2ccc([S@](C)=O)cc2)c2ccc(Cl)cc2)C1 ZINC000154315096 1422871767 /nfs/dbraw/zinc/87/17/67/1422871767.db2.gz OJIRGPRAZJDKCV-OUDXUNEISA-N 0 1 392.952 3.239 20 0 GGADMN COc1ccc([C@H](C)CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000154318682 1422871944 /nfs/dbraw/zinc/87/19/44/1422871944.db2.gz OYEKWBTYTFLTRY-AAIMPIBUSA-N 0 1 396.531 3.188 20 0 GGADMN COc1cccc([C@H](C)CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000154319593 1422872223 /nfs/dbraw/zinc/87/22/23/1422872223.db2.gz YMLWCVAVVLYDBK-AAIMPIBUSA-N 0 1 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GGADMN CCN(CC)C(=O)CCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154904800 1423075310 /nfs/dbraw/zinc/07/53/10/1423075310.db2.gz QUZLARHWEWAUPO-KRWDZBQOSA-N 0 1 399.457 3.045 20 0 GGADMN COCCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000154906943 1423076213 /nfs/dbraw/zinc/07/62/13/1423076213.db2.gz XKYSWJNGOMDWCY-OAHLLOKOSA-N 0 1 376.884 3.332 20 0 GGADMN C[N@@H+](CC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1)[C@H]1CCSC1 ZINC000154908050 1423076439 /nfs/dbraw/zinc/07/64/39/1423076439.db2.gz WEBQAKMVTASCFY-INIZCTEOSA-N 0 1 375.513 3.450 20 0 GGADMN CN(CC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1)[C@H]1CCSC1 ZINC000154908050 1423076448 /nfs/dbraw/zinc/07/64/48/1423076448.db2.gz WEBQAKMVTASCFY-INIZCTEOSA-N 0 1 375.513 3.450 20 0 GGADMN COc1cc(OC)c(CNC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(OC)c1 ZINC000154908248 1423077025 /nfs/dbraw/zinc/07/70/25/1423077025.db2.gz LZLTUXAKWUILGS-ZDUSSCGKSA-N 0 1 392.883 3.333 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000154910258 1423077627 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20 0 GGADMN CCc1ccc([C@@H](CO)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000154930880 1423083458 /nfs/dbraw/zinc/08/34/58/1423083458.db2.gz YMWCIDUDTSMCON-WOJBJXKFSA-N 0 1 385.508 3.402 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000154930764 1423083926 /nfs/dbraw/zinc/08/39/26/1423083926.db2.gz YMWCIDUDTSMCON-PMACEKPBSA-N 0 1 385.508 3.402 20 0 GGADMN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3)cc21 ZINC000154935938 1423085266 /nfs/dbraw/zinc/08/52/66/1423085266.db2.gz ZBVVCOSHFQFEJV-SFHVURJKSA-N 0 1 393.487 3.111 20 0 GGADMN COCCCOc1cc(C)ccc1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000154941885 1423086576 /nfs/dbraw/zinc/08/65/76/1423086576.db2.gz YYNMJPRNDYVKBY-UHFFFAOYSA-N 0 1 380.444 3.182 20 0 GGADMN Cc1cc(NC(=O)C2CCN(Cc3cnc(C)n3-c3ccccc3)CC2)no1 ZINC000179856288 1429611948 /nfs/dbraw/zinc/61/19/48/1429611948.db2.gz PHSAUWGILKECCY-UHFFFAOYSA-N 0 1 379.464 3.328 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H]2CCOC(C)(C)C2)N2CCCCC2)cc1 ZINC000154943936 1423087113 /nfs/dbraw/zinc/08/71/13/1423087113.db2.gz RNVJSGVTTOCYJG-UYAOXDASSA-N 0 1 389.540 3.479 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000154946903 1423088296 /nfs/dbraw/zinc/08/82/96/1423088296.db2.gz PWUATNZTPVVCDZ-YMPZKCBVSA-N 0 1 396.531 3.062 20 0 GGADMN O=C(NCCCSc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)F ZINC000154949828 1423088647 /nfs/dbraw/zinc/08/86/47/1423088647.db2.gz NQBNMUFBSNKHQM-UHFFFAOYSA-N 0 1 395.346 3.141 20 0 GGADMN CN(CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CCSC1 ZINC000154975216 1423096571 /nfs/dbraw/zinc/09/65/71/1423096571.db2.gz NCBOOTMVVVYTMW-OAHLLOKOSA-N 0 1 375.469 3.067 20 0 GGADMN CN(CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCSC1 ZINC000154975326 1423097476 /nfs/dbraw/zinc/09/74/76/1423097476.db2.gz NCBOOTMVVVYTMW-HNNXBMFYSA-N 0 1 375.469 3.067 20 0 GGADMN C[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)[C@H]1CNC(=O)OC(C)(C)C ZINC000154986996 1423099688 /nfs/dbraw/zinc/09/96/88/1423099688.db2.gz NBEZOYZADVTQGZ-PBHICJAKSA-N 0 1 399.495 3.237 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1S(C)(=O)=O ZINC000179859538 1429613668 /nfs/dbraw/zinc/61/36/68/1429613668.db2.gz DWJALIPNJANQCS-UHFFFAOYSA-N 0 1 379.388 3.465 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCC[C@@H](C(N)=O)C1 ZINC000155007298 1423110608 /nfs/dbraw/zinc/11/06/08/1423110608.db2.gz SFXVISGKOGJKBM-CQSZACIVSA-N 0 1 381.307 3.244 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)OC ZINC000155013004 1423114267 /nfs/dbraw/zinc/11/42/67/1423114267.db2.gz IILGYJFYTQUFOH-MRXNPFEDSA-N 0 1 379.501 3.004 20 0 GGADMN CC(C)(C)N(CCC(=O)Nc1ccccc1C(F)(F)F)CCS(C)(=O)=O ZINC000155017715 1423117324 /nfs/dbraw/zinc/11/73/24/1423117324.db2.gz BMWQRCDXQYTOEH-UHFFFAOYSA-N 0 1 394.459 3.179 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)N1CCCC1 ZINC000155018203 1423117947 /nfs/dbraw/zinc/11/79/47/1423117947.db2.gz UQXRIPTUUYBFSU-FUHWJXTLSA-N 0 1 375.513 3.089 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[C@H](O)C(C)C)N1CCCC1 ZINC000155018602 1423119011 /nfs/dbraw/zinc/11/90/11/1423119011.db2.gz NEEGTTJLUYUCIQ-UYAOXDASSA-N 0 1 391.556 3.174 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCC1 ZINC000155018833 1423119391 /nfs/dbraw/zinc/11/93/91/1423119391.db2.gz VQQJIBOFSAMDPR-MMKMLUHNSA-N 0 1 399.535 3.089 20 0 GGADMN Cc1cccc(C(=O)N[C@@H](C(=O)NCc2nc3cccc(C)c3[nH]2)C(C)C)c1 ZINC000155035334 1423128530 /nfs/dbraw/zinc/12/85/30/1423128530.db2.gz VAHFTWCDSVVHGA-LJQANCHMSA-N 0 1 378.476 3.251 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ncn(-c2ccccc2)n1 ZINC000155047214 1423134032 /nfs/dbraw/zinc/13/40/32/1423134032.db2.gz OWJHDRFXWLZPCY-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CCN(C(=O)CNC(C)(C)C(=O)NCC1CCCC1)[C@H](C)c1ccc(F)cc1 ZINC000155067849 1423143780 /nfs/dbraw/zinc/14/37/80/1423143780.db2.gz UJFSBFNDYQMCJH-MRXNPFEDSA-N 0 1 391.531 3.410 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C[C@@H](C)O1 ZINC000155077740 1423147979 /nfs/dbraw/zinc/14/79/79/1423147979.db2.gz PGYQYJJVYPOOPQ-JFIYKMOQSA-N 0 1 375.513 3.087 20 0 GGADMN Cc1ccc(C(=O)NCCN(C)Cc2ccc(F)cc2)c(Br)n1 ZINC000155080107 1423150338 /nfs/dbraw/zinc/15/03/38/1423150338.db2.gz AZMZRIVPNBKGBV-UHFFFAOYSA-N 0 1 380.261 3.153 20 0 GGADMN COc1cc(C)ccc1CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179870792 1429617689 /nfs/dbraw/zinc/61/76/89/1429617689.db2.gz BMCPNRDGLYMUAQ-UHFFFAOYSA-N 0 1 388.374 3.072 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3ccc(C)nc3C)[nH]c2c1 ZINC000155091609 1423157267 /nfs/dbraw/zinc/15/72/67/1423157267.db2.gz PPXDYSIFTWIMCJ-SFHVURJKSA-N 0 1 377.448 3.185 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3cccc(-c4ncco4)c3)cc2[nH]c1=S ZINC000155095345 1423158951 /nfs/dbraw/zinc/15/89/51/1423158951.db2.gz QJOKPAIWKRCQJX-UHFFFAOYSA-N 0 1 378.413 3.130 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc2ccccc2o1)c1ccc(Cl)c(F)c1 ZINC000155098018 1423159925 /nfs/dbraw/zinc/15/99/25/1423159925.db2.gz AARVXTMUSKTFRT-INIZCTEOSA-N 0 1 397.811 3.418 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000155109058 1423171254 /nfs/dbraw/zinc/17/12/54/1423171254.db2.gz CYQYQLIZXNZFTK-UHFFFAOYSA-N 0 1 389.540 3.272 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)CCCC(=O)NC ZINC000155110920 1423171761 /nfs/dbraw/zinc/17/17/61/1423171761.db2.gz KUZKOJIBHWQKCR-OAQYLSRUSA-N 0 1 383.492 3.223 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ncccc2F)CC1 ZINC000155110484 1423172065 /nfs/dbraw/zinc/17/20/65/1423172065.db2.gz GITZZFNPCDYUQH-UHFFFAOYSA-N 0 1 391.878 3.338 20 0 GGADMN CCc1cc2c(CNC(C)(C)C(=O)NCC3CCCC3)cc(=O)oc2cc1O ZINC000155135247 1423189879 /nfs/dbraw/zinc/18/98/79/1423189879.db2.gz VLHQBPOAQFUAHY-UHFFFAOYSA-N 0 1 386.492 3.236 20 0 GGADMN CC(C)(NCc1cccc(C(=O)NCc2ccco2)c1)C(=O)NCC1CCCC1 ZINC000155141029 1423192522 /nfs/dbraw/zinc/19/25/22/1423192522.db2.gz SWTGIVPJAJHMHH-UHFFFAOYSA-N 0 1 397.519 3.384 20 0 GGADMN C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000179878478 1429620968 /nfs/dbraw/zinc/62/09/68/1429620968.db2.gz JDXLZLAJWUQFSZ-HKBOAZHASA-N 0 1 380.573 3.323 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824103881 1429621179 /nfs/dbraw/zinc/62/11/79/1429621179.db2.gz KWJFIHJYFFFQMU-AEFFLSMTSA-N 0 1 398.511 3.233 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2csc(-c3ccoc3)n2)N(C)C)c1 ZINC000155161873 1423203578 /nfs/dbraw/zinc/20/35/78/1423203578.db2.gz GMAVHRZLXAIBKS-GOSISDBHSA-N 0 1 385.489 3.373 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCc2cc(F)cc(F)c2)N(C)C)c1 ZINC000155161009 1423203756 /nfs/dbraw/zinc/20/37/56/1423203756.db2.gz KXCVMROCANPECM-IBGZPJMESA-N 0 1 377.435 3.118 20 0 GGADMN CCc1cccc(NC(=O)CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000155166259 1423206039 /nfs/dbraw/zinc/20/60/39/1423206039.db2.gz YHVXPSCCYBDUSI-IBGZPJMESA-N 0 1 398.507 3.307 20 0 GGADMN CC(C)Cn1ncc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1C(F)F ZINC000155168403 1423208162 /nfs/dbraw/zinc/20/81/62/1423208162.db2.gz DVDQNBWRIQQEGM-UHFFFAOYSA-N 0 1 391.466 3.266 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCOc1cccc(S(C)(=O)=O)c1 ZINC000155180261 1423218499 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COc1cc(N[C@@H]2CCCN(CC[S@@](=O)c3ccccc3)C2)cc(OC)c1 ZINC000155190854 1423230446 /nfs/dbraw/zinc/23/04/46/1423230446.db2.gz AUFNKIPTOASMQT-CRYYWNKWSA-N 0 1 388.533 3.388 20 0 GGADMN COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826216721 1429624302 /nfs/dbraw/zinc/62/43/02/1429624302.db2.gz KXKDYFYWFJAQQR-HOTGVXAUSA-N 0 1 378.480 3.052 20 0 GGADMN Cc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C(C)C ZINC000179885600 1429624354 /nfs/dbraw/zinc/62/43/54/1429624354.db2.gz FKNIEOGPFUKXKE-IAGOWNOFSA-N 0 1 384.524 3.312 20 0 GGADMN COc1cc(N[C@@H]2CCCN(Cc3cnc4c(c3)c(C)nn4C)C2)cc(OC)c1 ZINC000155193766 1423234422 /nfs/dbraw/zinc/23/44/22/1423234422.db2.gz UXFAIYRQJOFPGL-QGZVFWFLSA-N 0 1 395.507 3.370 20 0 GGADMN Cc1cccc(-n2cc(C(=O)Nc3cccc(CN4CCSCC4)c3)nn2)c1 ZINC000155196232 1423235992 /nfs/dbraw/zinc/23/59/92/1423235992.db2.gz VXYRZWGBCBNPHS-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CC(C)[N@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297208 1423236259 /nfs/dbraw/zinc/23/62/59/1423236259.db2.gz RZEXRTIAPCTTOW-WMZOPIPTSA-N 0 1 385.422 3.176 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000155201240 1423240540 /nfs/dbraw/zinc/24/05/40/1423240540.db2.gz NVQMKTYVOVSQKZ-HXUWFJFHSA-N 0 1 382.504 3.337 20 0 GGADMN CCOCc1ccc(CNC(=O)CN2CC[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000155200776 1423241017 /nfs/dbraw/zinc/24/10/17/1423241017.db2.gz UHMPSYIVLVRYPZ-OAQYLSRUSA-N 0 1 382.504 3.337 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C2)cc1 ZINC000155203469 1423241971 /nfs/dbraw/zinc/24/19/71/1423241971.db2.gz FAAUNYXUTYRYQH-KNQAVFIVSA-N 0 1 398.478 3.224 20 0 GGADMN COc1cc(N[C@H]2CCCN([C@H](C)C(=O)N3CCC(C)CC3)C2)cc(OC)c1 ZINC000155202487 1423242110 /nfs/dbraw/zinc/24/21/10/1423242110.db2.gz YMUWPSUBICRZBM-MSOLQXFVSA-N 0 1 389.540 3.227 20 0 GGADMN CN1CCN(Cc2ccccc2OCC(=O)N2CCCC2)[C@H](c2ccccc2)C1 ZINC000155203768 1423242670 /nfs/dbraw/zinc/24/26/70/1423242670.db2.gz BTPUWIPZGVTKMX-QFIPXVFZSA-N 0 1 393.531 3.177 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000155205797 1423244131 /nfs/dbraw/zinc/24/41/31/1423244131.db2.gz YEZDTOUBTHASFF-MRXNPFEDSA-N 0 1 392.503 3.386 20 0 GGADMN CN1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000155206511 1423245445 /nfs/dbraw/zinc/24/54/45/1423245445.db2.gz TZESYAFKIMZNFH-FQEVSTJZSA-N 0 1 390.487 3.337 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2nnc3n2c2ccccc2c(=O)n3C)C1 ZINC000155210521 1423247164 /nfs/dbraw/zinc/24/71/64/1423247164.db2.gz WFLUWEMVGTXYBM-SJORKVTESA-N 0 1 387.487 3.268 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2nnc3n2c2ccccc2c(=O)n3C)C1 ZINC000155210301 1423247291 /nfs/dbraw/zinc/24/72/91/1423247291.db2.gz WFLUWEMVGTXYBM-IRXDYDNUSA-N 0 1 387.487 3.268 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000155211071 1423248956 /nfs/dbraw/zinc/24/89/56/1423248956.db2.gz ZQKAJIHVDXDVMF-QGZVFWFLSA-N 0 1 375.476 3.223 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820642230 1423250510 /nfs/dbraw/zinc/25/05/10/1423250510.db2.gz GXURCGIHNOXHLU-HNAYVOBHSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642230 1423250512 /nfs/dbraw/zinc/25/05/12/1423250512.db2.gz GXURCGIHNOXHLU-HNAYVOBHSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642230 1423250515 /nfs/dbraw/zinc/25/05/15/1423250515.db2.gz GXURCGIHNOXHLU-HNAYVOBHSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H](NC(=O)CNC(C)(C)C(=O)NCC1CCCC1)c1ccccc1Cl ZINC000155217696 1423252284 /nfs/dbraw/zinc/25/22/84/1423252284.db2.gz PBDUMXKLYFWYKO-CQSZACIVSA-N 0 1 379.932 3.192 20 0 GGADMN O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000738384364 1423256887 /nfs/dbraw/zinc/25/68/87/1423256887.db2.gz DNQKFKVUNOXOBJ-LEWJYISDSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384364 1423256895 /nfs/dbraw/zinc/25/68/95/1423256895.db2.gz DNQKFKVUNOXOBJ-LEWJYISDSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384364 1423256902 /nfs/dbraw/zinc/25/69/02/1423256902.db2.gz DNQKFKVUNOXOBJ-LEWJYISDSA-N 0 1 393.491 3.224 20 0 GGADMN COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210766 1423259416 /nfs/dbraw/zinc/25/94/16/1423259416.db2.gz DFOMCRKDQGKDHN-ZDUSSCGKSA-N 0 1 385.443 3.306 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000155231201 1423261770 /nfs/dbraw/zinc/26/17/70/1423261770.db2.gz OKZNMTXVKJVORN-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ncn(-c5ccccc5)n4)C3)[nH]c2c1 ZINC000155232249 1423261885 /nfs/dbraw/zinc/26/18/85/1423261885.db2.gz ZFYCUYDGDPWFQO-MRXNPFEDSA-N 0 1 386.459 3.472 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1C[C@H](c3ccccc3C)C[C@H]1C)[nH]c2=O ZINC000155236625 1423264959 /nfs/dbraw/zinc/26/49/59/1423264959.db2.gz QSWQODJDWHIYNN-NVXWUHKLSA-N 0 1 391.471 3.396 20 0 GGADMN Cc1cccc2nc(CNC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)[nH]c21 ZINC000155247438 1423272615 /nfs/dbraw/zinc/27/26/15/1423272615.db2.gz VSYNJFWQCAKZJD-GOSISDBHSA-N 0 1 382.439 3.081 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)NCc3ccc(OC(F)F)cc3)C2)cc1 ZINC000155251351 1423275477 /nfs/dbraw/zinc/27/54/77/1423275477.db2.gz PBVIKZXXEQZYBY-KRWDZBQOSA-N 0 1 390.430 3.402 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)C2)cc1 ZINC000155252975 1423276776 /nfs/dbraw/zinc/27/67/76/1423276776.db2.gz AMBHFCZGYHIHEI-SFHVURJKSA-N 0 1 393.487 3.250 20 0 GGADMN CCCc1n[n-]c(=S)n1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000155254245 1423277747 /nfs/dbraw/zinc/27/77/47/1423277747.db2.gz DFWUHNJHRXMEJM-INIZCTEOSA-N 0 1 387.553 3.016 20 0 GGADMN CCCc1n[n-]c(=S)n1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000155254245 1423277771 /nfs/dbraw/zinc/27/77/71/1423277771.db2.gz DFWUHNJHRXMEJM-INIZCTEOSA-N 0 1 387.553 3.016 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000155256342 1423280773 /nfs/dbraw/zinc/28/07/73/1423280773.db2.gz PPUNNQRUWPVWTH-SFHVURJKSA-N 0 1 384.549 3.309 20 0 GGADMN COc1ccc2nc(SCC(=O)c3ccc4c(c3)CCC(=O)N4C)[nH]c2c1 ZINC000155260292 1423284013 /nfs/dbraw/zinc/28/40/13/1423284013.db2.gz ZMPRETKFFQPVNQ-UHFFFAOYSA-N 0 1 381.457 3.456 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736000562 1423283862 /nfs/dbraw/zinc/28/38/62/1423283862.db2.gz KVHPVKLZRBJDMX-ZDUSSCGKSA-N 0 1 384.871 3.194 20 0 GGADMN CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102718 1429629254 /nfs/dbraw/zinc/62/92/54/1429629254.db2.gz HXWJCMBXUGJJOE-HXUWFJFHSA-N 0 1 395.507 3.460 20 0 GGADMN Cc1nnc(NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c(-c2nn[n-]n2)c1C ZINC000737523496 1423288196 /nfs/dbraw/zinc/28/81/96/1423288196.db2.gz ZDOZHUATRPLNRU-MRXNPFEDSA-N 0 1 392.511 3.349 20 0 GGADMN CC(=O)N(c1nc(/C=C/C(=O)N2[C@H](C)CN(C)C[C@H]2C)cs1)c1ccccc1 ZINC000155270342 1423288545 /nfs/dbraw/zinc/28/85/45/1423288545.db2.gz AQQXVDJWHILJIY-NUPWCOBBSA-N 0 1 398.532 3.392 20 0 GGADMN CN(CC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)[C@H]1CCSC1 ZINC000155273579 1423291384 /nfs/dbraw/zinc/29/13/84/1423291384.db2.gz IWZOXOXCXBYQLU-INIZCTEOSA-N 0 1 375.469 3.067 20 0 GGADMN Cc1ccn(C)c(=O)c1NC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000155282934 1423297690 /nfs/dbraw/zinc/29/76/90/1423297690.db2.gz YPSDMSXZLPGTNR-UHFFFAOYSA-N 0 1 390.487 3.197 20 0 GGADMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC000179897705 1429630133 /nfs/dbraw/zinc/63/01/33/1429630133.db2.gz FHRRAKZZEGMUCF-UHFFFAOYSA-N 0 1 389.883 3.330 20 0 GGADMN Cc1ccc(CN(C(=O)CNC(C)(C)C(=O)NCC2CCCCC2)C2CC2)o1 ZINC000155287648 1423301619 /nfs/dbraw/zinc/30/16/19/1423301619.db2.gz ULDABBYYGVDLGB-UHFFFAOYSA-N 0 1 389.540 3.144 20 0 GGADMN Cc1c(O)ccc2c(CNC(C)(C)C(=O)NCC3CCCCC3)cc(=O)oc12 ZINC000155287306 1423301735 /nfs/dbraw/zinc/30/17/35/1423301735.db2.gz KNCWWTXSBRUYAL-UHFFFAOYSA-N 0 1 386.492 3.372 20 0 GGADMN COC(=O)Nc1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000155292933 1423303139 /nfs/dbraw/zinc/30/31/39/1423303139.db2.gz RNFIRVNGZRFCBW-HNNXBMFYSA-N 0 1 382.464 3.215 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000155329151 1423319904 /nfs/dbraw/zinc/31/99/04/1423319904.db2.gz LQAQMJGGFDLSJQ-HNNXBMFYSA-N 0 1 377.448 3.087 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000155328535 1423320111 /nfs/dbraw/zinc/32/01/11/1423320111.db2.gz ROQRVWTXONTALJ-HUUCEWRRSA-N 0 1 390.505 3.168 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)N(C)C)c1 ZINC000155342692 1423325559 /nfs/dbraw/zinc/32/55/59/1423325559.db2.gz WTKGKKYPLIHMPQ-MSOLQXFVSA-N 0 1 397.302 3.455 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000155344537 1423326165 /nfs/dbraw/zinc/32/61/65/1423326165.db2.gz QUCIWFQPAOKWJR-RXVVDRJESA-N 0 1 395.434 3.181 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000155344437 1423326220 /nfs/dbraw/zinc/32/62/20/1423326220.db2.gz QUCIWFQPAOKWJR-GHTZIAJQSA-N 0 1 395.434 3.181 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC(CN3CCOCC3)CC2)nn1-c1ccccc1 ZINC000155348604 1423327543 /nfs/dbraw/zinc/32/75/43/1423327543.db2.gz WWRSVWSJOMKYJD-UHFFFAOYSA-N 0 1 396.535 3.180 20 0 GGADMN Cc1c(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cccc1-c1nn[n-]n1 ZINC000822095309 1429633064 /nfs/dbraw/zinc/63/30/64/1429633064.db2.gz CUHZUGCGCGVHCM-IBGZPJMESA-N 0 1 391.479 3.134 20 0 GGADMN COc1ccc([C@H](NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)C(C)C)cc1 ZINC000155377733 1423340234 /nfs/dbraw/zinc/34/02/34/1423340234.db2.gz STBIVGGGICYMKJ-LJQANCHMSA-N 0 1 391.556 3.039 20 0 GGADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cnc(C(F)(F)F)nc1 ZINC000155377941 1423340379 /nfs/dbraw/zinc/34/03/79/1423340379.db2.gz ADCRIGVUFQVDKQ-ZDUSSCGKSA-N 0 1 377.326 3.476 20 0 GGADMN C[C@@H](NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nnc[nH]1 ZINC000155377365 1423340626 /nfs/dbraw/zinc/34/06/26/1423340626.db2.gz ZRAOQUZUKFJPQN-GMSGAONNSA-N 0 1 381.280 3.487 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccnc1-n1cccn1 ZINC000155386015 1423343089 /nfs/dbraw/zinc/34/30/89/1423343089.db2.gz ZDVPXTNETYBSRJ-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2c(C)ccn(C)c2=O)N2CCCCC2)cc1 ZINC000155397626 1423347832 /nfs/dbraw/zinc/34/78/32/1423347832.db2.gz BWQURWFLZAADTB-LJQANCHMSA-N 0 1 398.507 3.051 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3OCC3CC3)cc2[nH]c1=S ZINC000155410598 1423352657 /nfs/dbraw/zinc/35/26/57/1423352657.db2.gz VYGZTBUAWHUGRL-UHFFFAOYSA-N 0 1 399.447 3.402 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821198919 1423353403 /nfs/dbraw/zinc/35/34/03/1423353403.db2.gz XXEVBZHPEDUHRQ-MRXNPFEDSA-N 0 1 397.914 3.264 20 0 GGADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821198919 1423353412 /nfs/dbraw/zinc/35/34/12/1423353412.db2.gz XXEVBZHPEDUHRQ-MRXNPFEDSA-N 0 1 397.914 3.264 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821198919 1423353423 /nfs/dbraw/zinc/35/34/23/1423353423.db2.gz XXEVBZHPEDUHRQ-MRXNPFEDSA-N 0 1 397.914 3.264 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(OCC3CC3)nc2)CC1 ZINC000155412130 1423353727 /nfs/dbraw/zinc/35/37/27/1423353727.db2.gz VGXFMLDVNSENOB-MRXNPFEDSA-N 0 1 380.492 3.221 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000155432247 1423361518 /nfs/dbraw/zinc/36/15/18/1423361518.db2.gz VHWYHXCHXKKCAL-UHFFFAOYSA-N 0 1 395.438 3.188 20 0 GGADMN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1cccc(-c2nnc[nH]2)c1 ZINC000155435373 1423362144 /nfs/dbraw/zinc/36/21/44/1423362144.db2.gz FNOMVGAOSYACGB-GOSISDBHSA-N 0 1 392.850 3.341 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(OCC(F)F)nc2)CC1 ZINC000155448550 1423367938 /nfs/dbraw/zinc/36/79/38/1423367938.db2.gz SIHUNEXGCOXYDJ-CQSZACIVSA-N 0 1 390.434 3.076 20 0 GGADMN CCO[C@@H](C)c1nccn1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000155449135 1423368104 /nfs/dbraw/zinc/36/81/04/1423368104.db2.gz IJKBYBOXTKASOE-INIZCTEOSA-N 0 1 388.537 3.168 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccnc(OC3CCC3)c2)CC1 ZINC000155448979 1423368242 /nfs/dbraw/zinc/36/82/42/1423368242.db2.gz DMJCZONYMJRQKR-MRXNPFEDSA-N 0 1 380.492 3.363 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccnc(OC3CCC3)c2)CC1 ZINC000155448875 1423368422 /nfs/dbraw/zinc/36/84/22/1423368422.db2.gz DMJCZONYMJRQKR-INIZCTEOSA-N 0 1 380.492 3.363 20 0 GGADMN CCCCCCOc1ccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1OC ZINC000155466708 1423375989 /nfs/dbraw/zinc/37/59/89/1423375989.db2.gz MXGZPLMHGMWKIL-INIZCTEOSA-N 0 1 387.484 3.187 20 0 GGADMN CCCCCCOc1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1OC ZINC000155466815 1423376489 /nfs/dbraw/zinc/37/64/89/1423376489.db2.gz MXGZPLMHGMWKIL-MRXNPFEDSA-N 0 1 387.484 3.187 20 0 GGADMN CSc1nc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c2ccccn21 ZINC000155470520 1423378079 /nfs/dbraw/zinc/37/80/79/1423378079.db2.gz SDTDMSNBZBPRTF-OAHLLOKOSA-N 0 1 395.532 3.407 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000155473770 1423379257 /nfs/dbraw/zinc/37/92/57/1423379257.db2.gz WNVQXQMXRKKUAH-OXJNMPFZSA-N 0 1 395.494 3.416 20 0 GGADMN COc1ccc(CN(CC(=O)Nc2cccnc2Cl)[C@H](CO)C(C)C)cc1 ZINC000179923013 1429643150 /nfs/dbraw/zinc/64/31/50/1429643150.db2.gz GZIDGXQZIAQKAB-GOSISDBHSA-N 0 1 391.899 3.201 20 0 GGADMN CCc1nn(C)cc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000179923283 1429643220 /nfs/dbraw/zinc/64/32/20/1429643220.db2.gz YWVVTKHQMPFWEM-UHFFFAOYSA-N 0 1 383.496 3.049 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000155503443 1423390521 /nfs/dbraw/zinc/39/05/21/1423390521.db2.gz GMZWZCKEKKZVSJ-CQSZACIVSA-N 0 1 396.516 3.081 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1c(C)ccn(C)c1=O)N1CCCCC1 ZINC000155510767 1423393044 /nfs/dbraw/zinc/39/30/44/1423393044.db2.gz MOSRUGZLPBIVMX-SFHVURJKSA-N 0 1 398.507 3.051 20 0 GGADMN COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826218731 1429637701 /nfs/dbraw/zinc/63/77/01/1429637701.db2.gz JQENDMNRFXKTNP-OXQOHEQNSA-N 0 1 392.507 3.363 20 0 GGADMN COCCCOc1cccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000155523173 1423398337 /nfs/dbraw/zinc/39/83/37/1423398337.db2.gz YFUSDVQLWFFKBO-QFIPXVFZSA-N 0 1 382.504 3.383 20 0 GGADMN COc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1OCc1cccnc1 ZINC000179915416 1429638315 /nfs/dbraw/zinc/63/83/15/1429638315.db2.gz LBTLMLGGSZYGKS-UHFFFAOYSA-N 0 1 395.503 3.160 20 0 GGADMN CC[C@@H](NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)c1ccc(Cl)cc1 ZINC000155534965 1423404745 /nfs/dbraw/zinc/40/47/45/1423404745.db2.gz ACYVOVNWMHBICH-MRXNPFEDSA-N 0 1 381.948 3.438 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000155539870 1423408101 /nfs/dbraw/zinc/40/81/01/1423408101.db2.gz RPWPZTKEJZCZHN-HNNXBMFYSA-N 0 1 391.475 3.395 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307365 1423417666 /nfs/dbraw/zinc/41/76/66/1423417666.db2.gz FOJWXUJPLNKAFC-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1OC ZINC000155567402 1423422896 /nfs/dbraw/zinc/42/28/96/1423422896.db2.gz PIVBFBVRRMKLCE-CQSZACIVSA-N 0 1 380.444 3.154 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000155568071 1423422991 /nfs/dbraw/zinc/42/29/91/1423422991.db2.gz OGHROUXCWVIISN-UHFFFAOYSA-N 0 1 385.468 3.100 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000155586127 1423432250 /nfs/dbraw/zinc/43/22/50/1423432250.db2.gz FYIAJQOVVOICLD-UHFFFAOYSA-N 0 1 381.520 3.105 20 0 GGADMN Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139092656 1429641144 /nfs/dbraw/zinc/64/11/44/1429641144.db2.gz CTVUXKJUQBACIT-DFNIBXOVSA-N 0 1 392.511 3.258 20 0 GGADMN CCc1noc2ncc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc12 ZINC000155591820 1423434832 /nfs/dbraw/zinc/43/48/32/1423434832.db2.gz YXWLPMLCFKTNCN-AWEZNQCLSA-N 0 1 379.464 3.136 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000155590978 1423434897 /nfs/dbraw/zinc/43/48/97/1423434897.db2.gz CQQRUYYJVIIQFQ-MRXNPFEDSA-N 0 1 393.466 3.362 20 0 GGADMN Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155601267 1423439235 /nfs/dbraw/zinc/43/92/35/1423439235.db2.gz HGCHJEFMTWNQLS-FZKQIMNGSA-N 0 1 377.847 3.311 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc3n[nH]nc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155600161 1423439523 /nfs/dbraw/zinc/43/95/23/1423439523.db2.gz IBDYLWNJDRNRKP-ACJLOTCBSA-N 0 1 387.846 3.173 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC000155603869 1423440332 /nfs/dbraw/zinc/44/03/32/1423440332.db2.gz SJEPBBRLZJCWSU-UHFFFAOYSA-N 0 1 395.551 3.008 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cc(F)c(OC)cc3F)n2)cc1 ZINC000155604476 1423441349 /nfs/dbraw/zinc/44/13/49/1423441349.db2.gz JNLXIOFCYYKNKG-UHFFFAOYSA-N 0 1 389.362 3.089 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cc(F)c(OC)cc3F)n[nH]2)cc1 ZINC000155604476 1423441363 /nfs/dbraw/zinc/44/13/63/1423441363.db2.gz JNLXIOFCYYKNKG-UHFFFAOYSA-N 0 1 389.362 3.089 20 0 GGADMN CCCNC(=O)CCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155604522 1423441544 /nfs/dbraw/zinc/44/15/44/1423441544.db2.gz KZCYGYFAWOLXQA-FOIQADDNSA-N 0 1 397.922 3.285 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000155605679 1423441763 /nfs/dbraw/zinc/44/17/63/1423441763.db2.gz ZZURGOZQKLTUTN-HSZRJFAPSA-N 0 1 395.551 3.428 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000155610662 1423445014 /nfs/dbraw/zinc/44/50/14/1423445014.db2.gz RNIXKFALAFSJHJ-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155615689 1423447586 /nfs/dbraw/zinc/44/75/86/1423447586.db2.gz XOQQRJBZHSNZAB-CLCXKQKWSA-N 0 1 390.890 3.047 20 0 GGADMN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155617750 1423448989 /nfs/dbraw/zinc/44/89/89/1423448989.db2.gz ZIOXOTCFENDXOB-IBGZPJMESA-N 0 1 382.439 3.443 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155618973 1423449903 /nfs/dbraw/zinc/44/99/03/1423449903.db2.gz XCZLEXSCFHTCNS-YJBOKZPZSA-N 0 1 389.858 3.001 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000155643688 1423464961 /nfs/dbraw/zinc/46/49/61/1423464961.db2.gz KVRDQTVPQHMUKU-OAQYLSRUSA-N 0 1 383.540 3.030 20 0 GGADMN COc1ccc(CN(CC(=O)N[C@@H](C)c2cccs2)[C@H](CO)C(C)C)cc1 ZINC000179927004 1429645573 /nfs/dbraw/zinc/64/55/73/1429645573.db2.gz DNTRVHVOTNUJKC-QFBILLFUSA-N 0 1 390.549 3.453 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(Cl)c1)c1ccco1 ZINC000155668901 1423478246 /nfs/dbraw/zinc/47/82/46/1423478246.db2.gz JHTGSIIURHBVOP-OAHLLOKOSA-N 0 1 381.835 3.210 20 0 GGADMN COc1ccc(CN(CC(=O)Nc2cccc(OC)c2)[C@H](CO)C(C)C)cc1 ZINC000179926608 1429645662 /nfs/dbraw/zinc/64/56/62/1429645662.db2.gz YQECBAMPKHLSFV-OAQYLSRUSA-N 0 1 386.492 3.161 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)Cc1ccccc1Cl ZINC000736536146 1423478621 /nfs/dbraw/zinc/47/86/21/1423478621.db2.gz FABDYANKSZLCFU-UHFFFAOYSA-N 0 1 387.871 3.430 20 0 GGADMN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000179927701 1429645921 /nfs/dbraw/zinc/64/59/21/1429645921.db2.gz MSKSDCBYXIRSCR-OLMNPRSZSA-N 0 1 381.879 3.189 20 0 GGADMN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000179928510 1429646036 /nfs/dbraw/zinc/64/60/36/1429646036.db2.gz ONEDUJYCLSCJFE-MSOLQXFVSA-N 0 1 381.879 3.046 20 0 GGADMN NC(=O)[C@H](NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000155686966 1423487158 /nfs/dbraw/zinc/48/71/58/1423487158.db2.gz LDSZBDQAHMEEEB-CQSZACIVSA-N 0 1 387.789 3.339 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)N1CCN(C)CC1 ZINC000179929723 1429646977 /nfs/dbraw/zinc/64/69/77/1429646977.db2.gz PLZPYNZFAKQOST-INIZCTEOSA-N 0 1 391.865 3.361 20 0 GGADMN CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000155720936 1423504689 /nfs/dbraw/zinc/50/46/89/1423504689.db2.gz QNLQWBUAFDLQQD-CYBMUJFWSA-N 0 1 397.504 3.005 20 0 GGADMN C[C@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccc2ccccc2c1 ZINC000155757043 1423520388 /nfs/dbraw/zinc/52/03/88/1423520388.db2.gz DTNFONYCEGYMJH-KRWDZBQOSA-N 0 1 377.492 3.021 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155758763 1423520861 /nfs/dbraw/zinc/52/08/61/1423520861.db2.gz ORLVIRCAHQTGNE-QUCCMNQESA-N 0 1 391.519 3.264 20 0 GGADMN Cn1cc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179934714 1429650174 /nfs/dbraw/zinc/65/01/74/1429650174.db2.gz NZMHJLVCTDDTNI-IBGZPJMESA-N 0 1 395.507 3.448 20 0 GGADMN CCNC(=O)NC1(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)CCCC1 ZINC000155780830 1423531391 /nfs/dbraw/zinc/53/13/91/1423531391.db2.gz IVUZHQZMLUXCPJ-MRXNPFEDSA-N 0 1 397.523 3.209 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cc(F)c(OC)cc2F)N(C)C)c1 ZINC000155803761 1423541372 /nfs/dbraw/zinc/54/13/72/1423541372.db2.gz SVNLVHVIPAUTSE-QGZVFWFLSA-N 0 1 379.407 3.406 20 0 GGADMN CC(C)COc1ccccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824271138 1429651471 /nfs/dbraw/zinc/65/14/71/1429651471.db2.gz LFEWMPAGESFVHP-NRFANRHFSA-N 0 1 393.491 3.475 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000155809275 1423543390 /nfs/dbraw/zinc/54/33/90/1423543390.db2.gz WIXAAMSESIZOLG-CABCVRRESA-N 0 1 392.521 3.332 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)CC1CCOCC1 ZINC000155821752 1423548195 /nfs/dbraw/zinc/54/81/95/1423548195.db2.gz UFCSQFMCXPHMRL-KRWDZBQOSA-N 0 1 387.505 3.377 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(c4cccs4)CC3)n2)cc1 ZINC000155828361 1423551270 /nfs/dbraw/zinc/55/12/70/1423551270.db2.gz SSIQAIMSUFIMLO-UHFFFAOYSA-N 0 1 399.545 3.283 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000155830341 1423552395 /nfs/dbraw/zinc/55/23/95/1423552395.db2.gz OKJPKHTVYAPZJJ-HNAYVOBHSA-N 0 1 388.487 3.209 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(Cn2ccnn2)CC1)c1cc2ccccc2o1 ZINC000155843120 1423557434 /nfs/dbraw/zinc/55/74/34/1423557434.db2.gz YADUOSFBQZXMEP-CVEARBPZSA-N 0 1 381.480 3.002 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)cnc12 ZINC000155865822 1423567009 /nfs/dbraw/zinc/56/70/09/1423567009.db2.gz UZUMTIQEHSJRPA-OAHLLOKOSA-N 0 1 393.462 3.152 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NC[C@@H](C)N3CCc4ccccc4C3)cnc12 ZINC000155865822 1423567018 /nfs/dbraw/zinc/56/70/18/1423567018.db2.gz UZUMTIQEHSJRPA-OAHLLOKOSA-N 0 1 393.462 3.152 20 0 GGADMN COc1ccccc1CC(C)(C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000155864172 1423567755 /nfs/dbraw/zinc/56/77/55/1423567755.db2.gz PNDJMARXJVYBNO-UHFFFAOYSA-N 0 1 395.547 3.194 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000179942490 1429654227 /nfs/dbraw/zinc/65/42/27/1429654227.db2.gz DARWJKSMRSZGMH-HNNXBMFYSA-N 0 1 388.489 3.288 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1)c1c(C)noc1C ZINC000155888288 1423578778 /nfs/dbraw/zinc/57/87/78/1423578778.db2.gz RAJKPWHPFRWOQC-OIISXLGYSA-N 0 1 387.480 3.019 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1c[nH]nn1 ZINC000155890542 1423580000 /nfs/dbraw/zinc/58/00/00/1423580000.db2.gz XNNCYDKJHDUWHV-CQSZACIVSA-N 0 1 395.488 3.369 20 0 GGADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CSc1c[nH]nn1 ZINC000155890421 1423580157 /nfs/dbraw/zinc/58/01/57/1423580157.db2.gz XNNCYDKJHDUWHV-AWEZNQCLSA-N 0 1 395.488 3.369 20 0 GGADMN Cc1cc(O)c(C(C)C)cc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000155894173 1423580673 /nfs/dbraw/zinc/58/06/73/1423580673.db2.gz GDKWXTBCKQEGDD-UHFFFAOYSA-N 0 1 382.508 3.370 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000155898191 1423583245 /nfs/dbraw/zinc/58/32/45/1423583245.db2.gz ROCJWXIIQGWCSZ-VWPQPMDRSA-N 0 1 386.584 3.154 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000155904418 1423587692 /nfs/dbraw/zinc/58/76/92/1423587692.db2.gz LGWJOADQBMQSLF-WOJBJXKFSA-N 0 1 390.572 3.487 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)o1 ZINC000155904418 1423587702 /nfs/dbraw/zinc/58/77/02/1423587702.db2.gz LGWJOADQBMQSLF-WOJBJXKFSA-N 0 1 390.572 3.487 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000155908544 1423590226 /nfs/dbraw/zinc/59/02/26/1423590226.db2.gz BKVAPAGMCHUORN-FQEVSTJZSA-N 0 1 396.487 3.060 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000155920782 1423595060 /nfs/dbraw/zinc/59/50/60/1423595060.db2.gz KJJSJABXDBPLNI-SECBINFHSA-N 0 1 388.249 3.381 20 0 GGADMN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1n[nH]c2ccccc21 ZINC000155923689 1423595735 /nfs/dbraw/zinc/59/57/35/1423595735.db2.gz KITGPVYNGMWJMN-CQSZACIVSA-N 0 1 395.463 3.429 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000155943806 1423603883 /nfs/dbraw/zinc/60/38/83/1423603883.db2.gz MIINQWMRQSZAIG-HZPDHXFCSA-N 0 1 383.492 3.406 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccccc1OC(F)F ZINC000155945133 1423605109 /nfs/dbraw/zinc/60/51/09/1423605109.db2.gz SCUYTCIUWFSTLF-GOSISDBHSA-N 0 1 390.430 3.500 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccccc1OC(F)F ZINC000155945030 1423605303 /nfs/dbraw/zinc/60/53/03/1423605303.db2.gz SCUYTCIUWFSTLF-SFHVURJKSA-N 0 1 390.430 3.500 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736568828 1423611526 /nfs/dbraw/zinc/61/15/26/1423611526.db2.gz DARLXFFHFQBWTL-MRXNPFEDSA-N 0 1 390.491 3.138 20 0 GGADMN CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736568828 1423611528 /nfs/dbraw/zinc/61/15/28/1423611528.db2.gz DARLXFFHFQBWTL-MRXNPFEDSA-N 0 1 390.491 3.138 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736568828 1423611530 /nfs/dbraw/zinc/61/15/30/1423611530.db2.gz DARLXFFHFQBWTL-MRXNPFEDSA-N 0 1 390.491 3.138 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)NCC1(c2ccccc2)CC1 ZINC000155964439 1423612188 /nfs/dbraw/zinc/61/21/88/1423612188.db2.gz MYYBPCCNHSWWSP-QFIPXVFZSA-N 0 1 378.516 3.108 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000155969693 1423613976 /nfs/dbraw/zinc/61/39/76/1423613976.db2.gz JCLAJPCICHRANY-PBHICJAKSA-N 0 1 399.495 3.237 20 0 GGADMN O=C(Nc1cccnc1OCC(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179947912 1429657252 /nfs/dbraw/zinc/65/72/52/1429657252.db2.gz FGZHEMVYVBOVDP-GFCCVEGCSA-N 0 1 392.410 3.133 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000179948058 1429657285 /nfs/dbraw/zinc/65/72/85/1429657285.db2.gz GFHCCRPWUXLFSS-HNNXBMFYSA-N 0 1 375.490 3.492 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330295 1429657297 /nfs/dbraw/zinc/65/72/97/1429657297.db2.gz NAUJKNAQQQEFPO-TZIWHRDSSA-N 0 1 393.491 3.142 20 0 GGADMN Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c(C)o1 ZINC000737234961 1423625021 /nfs/dbraw/zinc/62/50/21/1423625021.db2.gz PDNNKJGWAISSNM-CQSZACIVSA-N 0 1 394.479 3.032 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cnc3c(C)cc(F)cc3c2O)N2CCCC2)o1 ZINC000155997670 1423627440 /nfs/dbraw/zinc/62/74/40/1423627440.db2.gz JKYXQCUJYAABET-SFHVURJKSA-N 0 1 397.450 3.444 20 0 GGADMN CC[C@H](NCc1ccc(S(=O)(=O)CC)cc1)c1ccc2c(c1)OCCO2 ZINC000179949304 1429658282 /nfs/dbraw/zinc/65/82/82/1429658282.db2.gz VCQSIPQVJXVLEF-SFHVURJKSA-N 0 1 375.490 3.492 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000156025872 1423639488 /nfs/dbraw/zinc/63/94/88/1423639488.db2.gz OUTUHQCWZRKYNP-SFHVURJKSA-N 0 1 396.539 3.008 20 0 GGADMN COc1cc(CN2CC[C@@H](O)C2)ccc1OCCOc1ccccc1Cl ZINC000179951175 1429659064 /nfs/dbraw/zinc/65/90/64/1429659064.db2.gz JFTQMIRDJYLBJD-MRXNPFEDSA-N 0 1 377.868 3.373 20 0 GGADMN COc1ccc(Br)c([C@@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)c1 ZINC000156037038 1423645040 /nfs/dbraw/zinc/64/50/40/1423645040.db2.gz SWWASIVQEMXAQJ-AWEZNQCLSA-N 0 1 399.310 3.202 20 0 GGADMN C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000156038690 1423645722 /nfs/dbraw/zinc/64/57/22/1423645722.db2.gz PRWOPMYMPKBEHX-CHWSQXEVSA-N 0 1 398.850 3.264 20 0 GGADMN C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000156038812 1423645756 /nfs/dbraw/zinc/64/57/56/1423645756.db2.gz PRWOPMYMPKBEHX-STQMWFEESA-N 0 1 398.850 3.264 20 0 GGADMN CC[N@@H+](Cc1ccc(OCCOC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435312 1423648876 /nfs/dbraw/zinc/64/88/76/1423648876.db2.gz TYTAUHYBTIYNOG-MRXNPFEDSA-N 0 1 381.480 3.475 20 0 GGADMN CC[N@H+](Cc1ccc(OCCOC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435312 1423648879 /nfs/dbraw/zinc/64/88/79/1423648879.db2.gz TYTAUHYBTIYNOG-MRXNPFEDSA-N 0 1 381.480 3.475 20 0 GGADMN CC[N@@H+](Cc1ccc(OCCOC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435312 1423648884 /nfs/dbraw/zinc/64/88/84/1423648884.db2.gz TYTAUHYBTIYNOG-MRXNPFEDSA-N 0 1 381.480 3.475 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000156050330 1423651130 /nfs/dbraw/zinc/65/11/30/1423651130.db2.gz ONMCMRSHAHVNBO-JOCHJYFZSA-N 0 1 381.524 3.038 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000179951951 1429660104 /nfs/dbraw/zinc/66/01/04/1429660104.db2.gz SCBSBUBNZWRELX-OAHLLOKOSA-N 0 1 388.489 3.288 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000179951629 1429660121 /nfs/dbraw/zinc/66/01/21/1429660121.db2.gz YTALHEQZTRYIAD-MRXNPFEDSA-N 0 1 386.517 3.458 20 0 GGADMN Cc1ccnc2nc(C(=O)Nc3ccc(-c4n[nH]c(-c5ccccc5)n4)cc3)nn21 ZINC000156065953 1423658440 /nfs/dbraw/zinc/65/84/40/1423658440.db2.gz CDDPPKRYWYEJGP-UHFFFAOYSA-N 0 1 396.414 3.137 20 0 GGADMN Cc1ccnc2nc(C(=O)Nc3ccc(-c4nc(-c5ccccc5)n[nH]4)cc3)nn21 ZINC000156065953 1423658443 /nfs/dbraw/zinc/65/84/43/1423658443.db2.gz CDDPPKRYWYEJGP-UHFFFAOYSA-N 0 1 396.414 3.137 20 0 GGADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc2nncn2c1 ZINC000156073444 1423660049 /nfs/dbraw/zinc/66/00/49/1423660049.db2.gz AUQRQKUUINTJLY-UHFFFAOYSA-N 0 1 381.399 3.434 20 0 GGADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc2nncn2c1 ZINC000156073444 1423660055 /nfs/dbraw/zinc/66/00/55/1423660055.db2.gz AUQRQKUUINTJLY-UHFFFAOYSA-N 0 1 381.399 3.434 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000156072125 1423660085 /nfs/dbraw/zinc/66/00/85/1423660085.db2.gz JPCNKQWMAMTYIR-OAQYLSRUSA-N 0 1 382.508 3.142 20 0 GGADMN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCCc1nc[nH]n1 ZINC000156096176 1423670493 /nfs/dbraw/zinc/67/04/93/1423670493.db2.gz XRZSULKEYUAHMQ-UHFFFAOYSA-N 0 1 379.424 3.121 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000156096645 1423670512 /nfs/dbraw/zinc/67/05/12/1423670512.db2.gz HUXLSUGRPJWGJD-UHFFFAOYSA-N 0 1 387.572 3.484 20 0 GGADMN CNC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)ccc1Cl ZINC000156106846 1423675390 /nfs/dbraw/zinc/67/53/90/1423675390.db2.gz GLDRDIMSQGSCIT-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN C[C@H](NCc1ccc([S@](C)=O)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000156110888 1423677263 /nfs/dbraw/zinc/67/72/63/1423677263.db2.gz PCEWNBYUUMAPQJ-KUNJGFBQSA-N 0 1 390.524 3.375 20 0 GGADMN COc1ccc([C@H]2CCN(C(=O)c3ccc(CN4CCN(C)CC4)cc3)C2)cc1 ZINC000156111904 1423677972 /nfs/dbraw/zinc/67/79/72/1423677972.db2.gz KQDOPIMMZCZKPC-QFIPXVFZSA-N 0 1 393.531 3.072 20 0 GGADMN COc1ccc([C@@H]2CCN(C(=O)c3ccc(CN4CCN(C)CC4)cc3)C2)cc1 ZINC000156112030 1423678495 /nfs/dbraw/zinc/67/84/95/1423678495.db2.gz KQDOPIMMZCZKPC-JOCHJYFZSA-N 0 1 393.531 3.072 20 0 GGADMN O=C(COC[C@H]1CCCO1)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156115956 1423679189 /nfs/dbraw/zinc/67/91/89/1423679189.db2.gz MPHJQJYMLXWBQQ-GOSISDBHSA-N 0 1 378.432 3.273 20 0 GGADMN O=C(COC[C@H]1CCCO1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000156115956 1423679198 /nfs/dbraw/zinc/67/91/98/1423679198.db2.gz MPHJQJYMLXWBQQ-GOSISDBHSA-N 0 1 378.432 3.273 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)n[nH]2)c1 ZINC000156124059 1423683088 /nfs/dbraw/zinc/68/30/88/1423683088.db2.gz VCJCPEWSYWDYSM-UHFFFAOYSA-N 0 1 391.475 3.089 20 0 GGADMN CCC[C@@H](NC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)c1ccc(F)cc1F ZINC000156127040 1423684282 /nfs/dbraw/zinc/68/42/82/1423684282.db2.gz YEPUJLQCQFJHKH-YLJYHZDGSA-N 0 1 394.510 3.227 20 0 GGADMN CN(CC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000156135146 1423688074 /nfs/dbraw/zinc/68/80/74/1423688074.db2.gz YIADRIRGAHEUHE-IEBWSBKVSA-N 0 1 382.957 3.049 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN(C)[C@H]2CCc3c2cccc3Cl)CC1 ZINC000156149034 1423695069 /nfs/dbraw/zinc/69/50/69/1423695069.db2.gz NKFWCHQOGWTBND-SFHVURJKSA-N 0 1 378.900 3.061 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)OCCO2 ZINC000824547419 1423697206 /nfs/dbraw/zinc/69/72/06/1423697206.db2.gz OCNJPGVLBOOQMP-ACJLOTCBSA-N 0 1 377.448 3.366 20 0 GGADMN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000156159373 1423700633 /nfs/dbraw/zinc/70/06/33/1423700633.db2.gz ZOGMQKRFHLKQJP-UHFFFAOYSA-N 0 1 389.521 3.499 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000156173460 1423706142 /nfs/dbraw/zinc/70/61/42/1423706142.db2.gz NUNRQQQJUOSNJY-JKSUJKDBSA-N 0 1 394.947 3.107 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000156173332 1423706419 /nfs/dbraw/zinc/70/64/19/1423706419.db2.gz NUNRQQQJUOSNJY-HOTGVXAUSA-N 0 1 394.947 3.107 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000825318583 1423709252 /nfs/dbraw/zinc/70/92/52/1423709252.db2.gz PYCNCRCVXMBQKB-INIZCTEOSA-N 0 1 378.480 3.496 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000825318583 1423709256 /nfs/dbraw/zinc/70/92/56/1423709256.db2.gz PYCNCRCVXMBQKB-INIZCTEOSA-N 0 1 378.480 3.496 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000825318583 1423709258 /nfs/dbraw/zinc/70/92/58/1423709258.db2.gz PYCNCRCVXMBQKB-INIZCTEOSA-N 0 1 378.480 3.496 20 0 GGADMN O=C(c1ccccc1NCc1ccco1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000156183001 1423710299 /nfs/dbraw/zinc/71/02/99/1423710299.db2.gz VXTOLKDQCKQQSA-SFHVURJKSA-N 0 1 383.492 3.076 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179964283 1429665164 /nfs/dbraw/zinc/66/51/64/1429665164.db2.gz ZIYSWJAFDCRDIE-ACJLOTCBSA-N 0 1 378.469 3.298 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)N(C)C)c1 ZINC000156190760 1423716843 /nfs/dbraw/zinc/71/68/43/1423716843.db2.gz QKVKCOWNSXMWPT-IBGZPJMESA-N 0 1 382.464 3.004 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179964232 1429665378 /nfs/dbraw/zinc/66/53/78/1429665378.db2.gz ZIYSWJAFDCRDIE-SCLBCKFNSA-N 0 1 378.469 3.298 20 0 GGADMN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000156195871 1423718987 /nfs/dbraw/zinc/71/89/87/1423718987.db2.gz KVDPOHPIGLSQQB-MAUKXSAKSA-N 0 1 388.537 3.134 20 0 GGADMN CCCC(=CC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825219670 1423720796 /nfs/dbraw/zinc/72/07/96/1423720796.db2.gz LMZTVDOFTNFFQY-UHFFFAOYSA-N 0 1 384.528 3.284 20 0 GGADMN C[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736024876 1423727457 /nfs/dbraw/zinc/72/74/57/1423727457.db2.gz AULMTHBHONUSFI-OAHLLOKOSA-N 0 1 397.914 3.143 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000824882385 1423728948 /nfs/dbraw/zinc/72/89/48/1423728948.db2.gz AXKVMOGDQYYNKZ-WBVHZDCISA-N 0 1 382.537 3.413 20 0 GGADMN C[C@@H](C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000736000201 1423731347 /nfs/dbraw/zinc/73/13/47/1423731347.db2.gz FRUBTNKQXUPWAE-SFHVURJKSA-N 0 1 376.508 3.178 20 0 GGADMN C[C@@H](C[N@@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000736000201 1423731351 /nfs/dbraw/zinc/73/13/51/1423731351.db2.gz FRUBTNKQXUPWAE-SFHVURJKSA-N 0 1 376.508 3.178 20 0 GGADMN C[C@@H](C[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000736000201 1423731355 /nfs/dbraw/zinc/73/13/55/1423731355.db2.gz FRUBTNKQXUPWAE-SFHVURJKSA-N 0 1 376.508 3.178 20 0 GGADMN CC[N@H+](CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000825394381 1423741033 /nfs/dbraw/zinc/74/10/33/1423741033.db2.gz BHIGUDHXJTZODU-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000825394381 1423741035 /nfs/dbraw/zinc/74/10/35/1423741035.db2.gz BHIGUDHXJTZODU-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN CCCc1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(C)C)cc1 ZINC000736497508 1423743214 /nfs/dbraw/zinc/74/32/14/1423743214.db2.gz QZUXYZFTBAIPFA-LPHOPBHVSA-N 0 1 394.527 3.044 20 0 GGADMN CCC(CC)n1ncc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1C ZINC000156266529 1423749191 /nfs/dbraw/zinc/74/91/91/1423749191.db2.gz ZERBUEIIBAEGBT-UHFFFAOYSA-N 0 1 397.567 3.100 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)C[C@@H]1C ZINC000156266063 1423749226 /nfs/dbraw/zinc/74/92/26/1423749226.db2.gz CDFMNJRCHSPDAN-KDURUIRLSA-N 0 1 388.556 3.496 20 0 GGADMN CC[NH+](CC)CC1CCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1 ZINC000821189405 1423755001 /nfs/dbraw/zinc/75/50/01/1423755001.db2.gz LNDVYDZSXHNIBZ-UHFFFAOYSA-N 0 1 382.434 3.444 20 0 GGADMN CCN(CC)[C@@H](C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736535494 1423755924 /nfs/dbraw/zinc/75/59/24/1423755924.db2.gz XRGHURDFNGUCJO-GOSISDBHSA-N 0 1 383.427 3.132 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000156306908 1423769282 /nfs/dbraw/zinc/76/92/82/1423769282.db2.gz QOPDCJYPTKZAED-MRXNPFEDSA-N 0 1 398.469 3.455 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000156309753 1423770527 /nfs/dbraw/zinc/77/05/27/1423770527.db2.gz NOZYBYBSMVSUIX-INIZCTEOSA-N 0 1 398.469 3.455 20 0 GGADMN Fc1cccc(C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2F)C[C@@H]2CCCO2)c1 ZINC000826376906 1429670444 /nfs/dbraw/zinc/67/04/44/1429670444.db2.gz XSLPWJXAQRPIMH-KRWDZBQOSA-N 0 1 385.418 3.326 20 0 GGADMN Fc1cccc(C[N@H+](Cc2cccc(-c3nnn[n-]3)c2F)C[C@@H]2CCCO2)c1 ZINC000826376906 1429670461 /nfs/dbraw/zinc/67/04/61/1429670461.db2.gz XSLPWJXAQRPIMH-KRWDZBQOSA-N 0 1 385.418 3.326 20 0 GGADMN C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cnn(C)c1 ZINC000179973482 1429670768 /nfs/dbraw/zinc/67/07/68/1429670768.db2.gz HCSFWNZBKOURNK-DYVFJYSZSA-N 0 1 380.414 3.281 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CC(C)C ZINC000736535874 1423780418 /nfs/dbraw/zinc/78/04/18/1423780418.db2.gz ZWMRBDACNRBKFP-GFCCVEGCSA-N 0 1 385.438 3.449 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000156328174 1423781262 /nfs/dbraw/zinc/78/12/62/1423781262.db2.gz AIDQBAXQCKUNFJ-CVDCTZTESA-N 0 1 385.552 3.224 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822356618 1423783690 /nfs/dbraw/zinc/78/36/90/1423783690.db2.gz WDIZRHNLTXLHPX-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822356618 1423783694 /nfs/dbraw/zinc/78/36/94/1423783694.db2.gz WDIZRHNLTXLHPX-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822356618 1423783696 /nfs/dbraw/zinc/78/36/96/1423783696.db2.gz WDIZRHNLTXLHPX-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000156349707 1423792076 /nfs/dbraw/zinc/79/20/76/1423792076.db2.gz PGTDOCPPGDCBMY-UHFFFAOYSA-N 0 1 376.460 3.419 20 0 GGADMN O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000156355133 1423795466 /nfs/dbraw/zinc/79/54/66/1423795466.db2.gz TUZORNXTMQXOKQ-ZDUSSCGKSA-N 0 1 379.363 3.245 20 0 GGADMN COc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1OC(=O)C1CC1 ZINC000156377915 1423801900 /nfs/dbraw/zinc/80/19/00/1423801900.db2.gz XIRJGAKMNGDTCB-UHFFFAOYSA-N 0 1 380.488 3.328 20 0 GGADMN COC[C@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(C)o1 ZINC000156381748 1423802438 /nfs/dbraw/zinc/80/24/38/1423802438.db2.gz NTIQMTUAXBWOMU-DYVFJYSZSA-N 0 1 376.453 3.300 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3ccc(OC(F)F)cc3)[nH]c21 ZINC000156419004 1423808545 /nfs/dbraw/zinc/80/85/45/1423808545.db2.gz LSFFFUZXGZOWQS-UHFFFAOYSA-N 0 1 375.331 3.132 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000156439891 1423810844 /nfs/dbraw/zinc/81/08/44/1423810844.db2.gz TVAHTQRGBLJNMA-PXNSSMCTSA-N 0 1 391.531 3.219 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000156439768 1423811036 /nfs/dbraw/zinc/81/10/36/1423811036.db2.gz TVAHTQRGBLJNMA-XLIONFOSSA-N 0 1 391.531 3.219 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ncccc12)N1CCCCC1 ZINC000156450608 1423812060 /nfs/dbraw/zinc/81/20/60/1423812060.db2.gz PUMFVOQDJIQNRW-FQEVSTJZSA-N 0 1 392.503 3.457 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000156452444 1423812081 /nfs/dbraw/zinc/81/20/81/1423812081.db2.gz FZRVAYVPUWJYEO-UGKGYDQZSA-N 0 1 379.504 3.475 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCOC3(CCC3)C2)CC1 ZINC000156454935 1423812499 /nfs/dbraw/zinc/81/24/99/1423812499.db2.gz HNUPPWJCXJPSPO-UHFFFAOYSA-N 0 1 392.931 3.269 20 0 GGADMN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000156456445 1423812884 /nfs/dbraw/zinc/81/28/84/1423812884.db2.gz ZJBJFPABGGLQGU-UHFFFAOYSA-N 0 1 378.356 3.100 20 0 GGADMN O=C(NCC1(CCO)CCCCC1)c1ccc(CN2CCSCC2)cc1 ZINC000156466725 1423813544 /nfs/dbraw/zinc/81/35/44/1423813544.db2.gz CIQGAIXLGVFPKZ-UHFFFAOYSA-N 0 1 376.566 3.298 20 0 GGADMN COc1ccc(-c2nc(CN(C)C[C@H]3CCN(C(C)=O)C3)cs2)c(OC)c1 ZINC000156487411 1423816920 /nfs/dbraw/zinc/81/69/20/1423816920.db2.gz ZPJMZLKZLNDDGE-OAHLLOKOSA-N 0 1 389.521 3.128 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000156489233 1423817276 /nfs/dbraw/zinc/81/72/76/1423817276.db2.gz OQTXWECDFFJSJK-LJQANCHMSA-N 0 1 395.547 3.266 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000156492186 1423818020 /nfs/dbraw/zinc/81/80/20/1423818020.db2.gz UEQKEYWWFNGQOA-GOSISDBHSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000156492186 1423818027 /nfs/dbraw/zinc/81/80/27/1423818027.db2.gz UEQKEYWWFNGQOA-GOSISDBHSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000156492186 1423818028 /nfs/dbraw/zinc/81/80/28/1423818028.db2.gz UEQKEYWWFNGQOA-GOSISDBHSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000156492294 1423818280 /nfs/dbraw/zinc/81/82/80/1423818280.db2.gz UEQKEYWWFNGQOA-SFHVURJKSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000156492294 1423818282 /nfs/dbraw/zinc/81/82/82/1423818282.db2.gz UEQKEYWWFNGQOA-SFHVURJKSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1c([O-])nnn1-c1ccccc1 ZINC000156492294 1423818283 /nfs/dbraw/zinc/81/82/83/1423818283.db2.gz UEQKEYWWFNGQOA-SFHVURJKSA-N 0 1 377.492 3.069 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000156498627 1423819128 /nfs/dbraw/zinc/81/91/28/1423819128.db2.gz YAWCKEYDTNGVCF-QGZVFWFLSA-N 0 1 399.510 3.397 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3cccc4ccc(O)cc43)c(Cl)cc2N1 ZINC000156509202 1423820799 /nfs/dbraw/zinc/82/07/99/1423820799.db2.gz UOYIZGSMWQHQAD-UHFFFAOYSA-N 0 1 388.832 3.494 20 0 GGADMN CC(C)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297599 1423821273 /nfs/dbraw/zinc/82/12/73/1423821273.db2.gz XMFKQKYXBHFGBQ-UXHICEINSA-N 0 1 398.461 3.459 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000156514404 1423821570 /nfs/dbraw/zinc/82/15/70/1423821570.db2.gz JRMOEIMWRYUVQY-GOSISDBHSA-N 0 1 393.531 3.184 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000156522474 1423822563 /nfs/dbraw/zinc/82/25/63/1423822563.db2.gz FBJOSKYCZPMISN-HXUWFJFHSA-N 0 1 393.531 3.035 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000156532031 1423823706 /nfs/dbraw/zinc/82/37/06/1423823706.db2.gz ORKJBQFVQOICMX-UHFFFAOYSA-N 0 1 377.297 3.235 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCCc1cccs1 ZINC000156534414 1423824264 /nfs/dbraw/zinc/82/42/64/1423824264.db2.gz DUFMNUYCTJTBCB-MRXNPFEDSA-N 0 1 387.549 3.019 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCc1ccccc1C ZINC000156537837 1423824548 /nfs/dbraw/zinc/82/45/48/1423824548.db2.gz PUACWMSXOAWXEL-GOSISDBHSA-N 0 1 381.520 3.224 20 0 GGADMN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000156543161 1423825549 /nfs/dbraw/zinc/82/55/49/1423825549.db2.gz YMSCGIXZMWDFJM-VXGBXAGGSA-N 0 1 395.219 3.359 20 0 GGADMN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000156543261 1423825631 /nfs/dbraw/zinc/82/56/31/1423825631.db2.gz YMSCGIXZMWDFJM-RYUDHWBXSA-N 0 1 395.219 3.359 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000826183615 1423825875 /nfs/dbraw/zinc/82/58/75/1423825875.db2.gz VDQOLVREAVMWTH-CVEARBPZSA-N 0 1 385.493 3.025 20 0 GGADMN CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000156557946 1423828351 /nfs/dbraw/zinc/82/83/51/1423828351.db2.gz LLVOIMUASDNPMR-CYBMUJFWSA-N 0 1 378.332 3.409 20 0 GGADMN CCCC(O)(CCC)CC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000156570590 1423830259 /nfs/dbraw/zinc/83/02/59/1423830259.db2.gz BEKNGEWGOPDPDZ-UHFFFAOYSA-N 0 1 391.556 3.497 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139094551 1423830937 /nfs/dbraw/zinc/83/09/37/1423830937.db2.gz DMQWUVAUSUJAJR-SJORKVTESA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139094551 1423830945 /nfs/dbraw/zinc/83/09/45/1423830945.db2.gz DMQWUVAUSUJAJR-SJORKVTESA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139094551 1423830954 /nfs/dbraw/zinc/83/09/54/1423830954.db2.gz DMQWUVAUSUJAJR-SJORKVTESA-N 0 1 386.500 3.134 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)n[nH]1 ZINC000156596656 1423834011 /nfs/dbraw/zinc/83/40/11/1423834011.db2.gz IHWAZGHWPWPMSQ-CQSZACIVSA-N 0 1 398.536 3.008 20 0 GGADMN CN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H](O)C1CC1 ZINC000156617166 1423836209 /nfs/dbraw/zinc/83/62/09/1423836209.db2.gz XFCKEPVSGGSZTB-REWPJTCUSA-N 0 1 391.515 3.119 20 0 GGADMN Cc1ccc(CNC(=O)c2cccc(CNCc3cnc4cnccn34)c2)cc1 ZINC000156617897 1423836910 /nfs/dbraw/zinc/83/69/10/1423836910.db2.gz YVXTWLGPSOOCGS-UHFFFAOYSA-N 0 1 385.471 3.258 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC000156632631 1423838702 /nfs/dbraw/zinc/83/87/02/1423838702.db2.gz SNOZVUBXNQJVIC-HKUYNNGSSA-N 0 1 385.508 3.118 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(Nc2cnccn2)c1)c1ccc(F)cc1 ZINC000156647234 1423840564 /nfs/dbraw/zinc/84/05/64/1423840564.db2.gz DRLAYJTXROVOOM-LJQANCHMSA-N 0 1 379.439 3.392 20 0 GGADMN C[C@@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000156667783 1423844151 /nfs/dbraw/zinc/84/41/51/1423844151.db2.gz JVLXWKDOUXINDN-SNVBAGLBSA-N 0 1 389.843 3.341 20 0 GGADMN COc1ccc(-c2nc(CN(C)C[C@H]3CCN(C(C)=O)C3)cs2)cc1OC ZINC000156698648 1423850210 /nfs/dbraw/zinc/85/02/10/1423850210.db2.gz OHOTUFIGRGOYJY-OAHLLOKOSA-N 0 1 389.521 3.128 20 0 GGADMN O=C1C[C@H](NCc2cnc3cnccn23)CN1c1ccc(Oc2ccccc2)cc1 ZINC000156699436 1423850596 /nfs/dbraw/zinc/85/05/96/1423850596.db2.gz PRUCSSFUJLEIPJ-KRWDZBQOSA-N 0 1 399.454 3.417 20 0 GGADMN CCCCOc1ccc(-c2nnc(CN(C)C[C@@H]3CCN(C(C)=O)C3)o2)cc1 ZINC000156702950 1423851208 /nfs/dbraw/zinc/85/12/08/1423851208.db2.gz NVRVSNIFRNXGRU-KRWDZBQOSA-N 0 1 386.496 3.216 20 0 GGADMN Cc1csc(CN(C2CC2)S(=O)(=O)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000156724714 1423854946 /nfs/dbraw/zinc/85/49/46/1423854946.db2.gz KTGPAUNFYUWVKF-GOSISDBHSA-N 0 1 391.562 3.020 20 0 GGADMN C[NH+](C)CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC000821584525 1423855253 /nfs/dbraw/zinc/85/52/53/1423855253.db2.gz HYZCDQUNKMCNJY-AWEZNQCLSA-N 0 1 379.896 3.008 20 0 GGADMN COc1cc(CNC[C@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000156732874 1423856232 /nfs/dbraw/zinc/85/62/32/1423856232.db2.gz CVJXHEKPBQVUIN-SFHVURJKSA-N 0 1 380.828 3.263 20 0 GGADMN Cc1c([C@H](C)NC(=O)N2CCN(C)C[C@@H]2C(C)C)cnn1-c1ccc(F)cc1 ZINC000156739162 1423857275 /nfs/dbraw/zinc/85/72/75/1423857275.db2.gz XEOWPZJQKRYEJW-MGPUTAFESA-N 0 1 387.503 3.362 20 0 GGADMN COc1ccc(C(C)(C)CNC(=O)[C@H](N)c2cccc(Cl)c2)cc1OC ZINC000156744932 1423858167 /nfs/dbraw/zinc/85/81/67/1423858167.db2.gz BRGOWYLMVHHLAQ-GOSISDBHSA-N 0 1 376.884 3.451 20 0 GGADMN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H]2CCN(C(C)=O)C2)c1 ZINC000156761514 1423860696 /nfs/dbraw/zinc/86/06/96/1423860696.db2.gz RXWVIGRNOUMEER-GCJKJVERSA-N 0 1 395.503 3.175 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000156776380 1423862956 /nfs/dbraw/zinc/86/29/56/1423862956.db2.gz OCVJVQAALGTKII-HXUWFJFHSA-N 0 1 379.504 3.016 20 0 GGADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H]2CCN(C(C)=O)C2)cc1 ZINC000156786971 1423865127 /nfs/dbraw/zinc/86/51/27/1423865127.db2.gz YCRIDWNRELKUCE-GCJKJVERSA-N 0 1 395.503 3.175 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000156796141 1423866231 /nfs/dbraw/zinc/86/62/31/1423866231.db2.gz RREKYMYGOPTXMG-PGRDOPGGSA-N 0 1 399.560 3.062 20 0 GGADMN CS(=O)(=O)c1cccc(OCCNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000179990693 1429678634 /nfs/dbraw/zinc/67/86/34/1429678634.db2.gz AALGAABBNONEDJ-UHFFFAOYSA-N 0 1 381.444 3.416 20 0 GGADMN CCOCc1cc(CN2CCCN(c3nc(C)ns3)CC2)ccc1OC ZINC000179980112 1429672982 /nfs/dbraw/zinc/67/29/82/1429672982.db2.gz RZHJXRQFKNXPGZ-UHFFFAOYSA-N 0 1 376.526 3.104 20 0 GGADMN CCC(CC)c1nnc(NC(=O)c2cc(N3CC[NH+]=C3[O-])ccc2F)s1 ZINC000156843306 1423873656 /nfs/dbraw/zinc/87/36/56/1423873656.db2.gz OVDXFIRXZSRVRU-UHFFFAOYSA-N 0 1 377.445 3.363 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(-c3nnc[nH]3)c1)CC2 ZINC000179992680 1429679171 /nfs/dbraw/zinc/67/91/71/1429679171.db2.gz FTCKPXLPIRLASL-UHFFFAOYSA-N 0 1 392.459 3.468 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000822192883 1423875564 /nfs/dbraw/zinc/87/55/64/1423875564.db2.gz DVXBTLLXPTXTOL-FUHWJXTLSA-N 0 1 377.496 3.344 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000822192883 1423875569 /nfs/dbraw/zinc/87/55/69/1423875569.db2.gz DVXBTLLXPTXTOL-FUHWJXTLSA-N 0 1 377.496 3.344 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000822192883 1423875575 /nfs/dbraw/zinc/87/55/75/1423875575.db2.gz DVXBTLLXPTXTOL-FUHWJXTLSA-N 0 1 377.496 3.344 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)n[nH]1 ZINC000156874761 1423878621 /nfs/dbraw/zinc/87/86/21/1423878621.db2.gz ZBMXIJBIAYALCS-UHFFFAOYSA-N 0 1 392.507 3.006 20 0 GGADMN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000156880167 1423879534 /nfs/dbraw/zinc/87/95/34/1423879534.db2.gz BDZJZTKCYDYMGR-GCJKJVERSA-N 0 1 376.504 3.295 20 0 GGADMN CN(C(=O)[C@H](Cc1ccccc1)NCc1cnc2cnccn12)c1ccccc1 ZINC000156913531 1423885002 /nfs/dbraw/zinc/88/50/02/1423885002.db2.gz CYEUCQIADFAYOJ-NRFANRHFSA-N 0 1 385.471 3.093 20 0 GGADMN CC[NH+](CC)Cc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736531595 1429680128 /nfs/dbraw/zinc/68/01/28/1429680128.db2.gz ZSSKROWXUIWHER-UHFFFAOYSA-N 0 1 388.479 3.264 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179993481 1429680364 /nfs/dbraw/zinc/68/03/64/1429680364.db2.gz PZGZQEBIJAQFKR-KRWDZBQOSA-N 0 1 390.430 3.332 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)nc1Cc1ccccc1 ZINC000156972742 1423895818 /nfs/dbraw/zinc/89/58/18/1423895818.db2.gz AGABODQDRLDHBK-IEBWSBKVSA-N 0 1 385.533 3.475 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156977500 1423896169 /nfs/dbraw/zinc/89/61/69/1423896169.db2.gz PTIJDVBCFDNBLT-FOIQADDNSA-N 0 1 380.492 3.016 20 0 GGADMN COc1ccc(=NNC(=O)N[C@H](C)Cc2cccc(Br)c2)[nH]c1 ZINC000156981334 1423896862 /nfs/dbraw/zinc/89/68/62/1423896862.db2.gz LIVQLFMPRALKLN-LLVKDONJSA-N 0 1 379.258 3.110 20 0 GGADMN O=C1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(F)cc2N1 ZINC000156991093 1423898360 /nfs/dbraw/zinc/89/83/60/1423898360.db2.gz WQWHQSOCCKBYAE-UHFFFAOYSA-N 0 1 399.787 3.073 20 0 GGADMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157022311 1423905026 /nfs/dbraw/zinc/90/50/26/1423905026.db2.gz JOCXTEDGIJHOLH-IXDOHACOSA-N 0 1 380.916 3.115 20 0 GGADMN CN(C)[C@H](CNC(=O)CN[C@H](c1ccccc1)C(F)(F)F)c1cccs1 ZINC000157045328 1423910277 /nfs/dbraw/zinc/91/02/77/1423910277.db2.gz YJNOACMTYADSPZ-RHSMWYFYSA-N 0 1 385.455 3.360 20 0 GGADMN CN(C)[C@H](CNC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1cccs1 ZINC000157045057 1423910382 /nfs/dbraw/zinc/91/03/82/1423910382.db2.gz YJNOACMTYADSPZ-PBHICJAKSA-N 0 1 385.455 3.360 20 0 GGADMN CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830564 1423913215 /nfs/dbraw/zinc/91/32/15/1423913215.db2.gz WICYYQCASMRBES-UHFFFAOYSA-N 0 1 376.464 3.129 20 0 GGADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CCC1)N1CCC2(CC1)OCCO2 ZINC000179999463 1429682373 /nfs/dbraw/zinc/68/23/73/1429682373.db2.gz TZSXCDMXVMWEMK-UHFFFAOYSA-N 0 1 398.425 3.040 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1)c1ccccc1 ZINC000157074584 1423918315 /nfs/dbraw/zinc/91/83/15/1423918315.db2.gz VPTSPTWIWPOBOK-IFMALSPDSA-N 0 1 382.504 3.472 20 0 GGADMN CCOc1cc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)ccc1OC(F)F ZINC000157078769 1423919917 /nfs/dbraw/zinc/91/99/17/1423919917.db2.gz LFZWUCBRYBTSJG-HNNXBMFYSA-N 0 1 385.455 3.168 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000157085663 1423921485 /nfs/dbraw/zinc/92/14/85/1423921485.db2.gz MUXMEWCNGQKLLN-GJZGRUSLSA-N 0 1 388.489 3.459 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000157085037 1423921768 /nfs/dbraw/zinc/92/17/68/1423921768.db2.gz OQXTWHIYIMCNFN-CEXWTWQISA-N 0 1 388.556 3.475 20 0 GGADMN O=C(Nc1cccnc1-c1ccccc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000157100278 1423925940 /nfs/dbraw/zinc/92/59/40/1423925940.db2.gz BVSSQNYTQCNMOG-GOSISDBHSA-N 0 1 380.492 3.325 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821447297 1423931865 /nfs/dbraw/zinc/93/18/65/1423931865.db2.gz IRKIKGRZIFTCRL-QWHCGFSZSA-N 0 1 394.932 3.065 20 0 GGADMN Cc1c(NC(=O)NC2CCN(Cc3ccccn3)CC2)cnn1-c1ccccc1 ZINC000157137536 1423934710 /nfs/dbraw/zinc/93/47/10/1423934710.db2.gz BPACFWORDJYBKF-UHFFFAOYSA-N 0 1 390.491 3.362 20 0 GGADMN CC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2O)ccc1Br ZINC000180002648 1429684133 /nfs/dbraw/zinc/68/41/33/1429684133.db2.gz XQCNNYGZRRZFGJ-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000737410905 1429684225 /nfs/dbraw/zinc/68/42/25/1429684225.db2.gz VRDKUHWXNWQAHG-SFHVURJKSA-N 0 1 390.422 3.440 20 0 GGADMN CC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccc2O)ccc1Br ZINC000180001702 1429684496 /nfs/dbraw/zinc/68/44/96/1429684496.db2.gz WXQNLYVOXHGXJG-UHFFFAOYSA-N 0 1 395.234 3.030 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(CC)c3ccccc3)ccc2NC1=O ZINC000180003301 1429684918 /nfs/dbraw/zinc/68/49/18/1429684918.db2.gz CTVFHLRGJYYJGX-KXBFYZLASA-N 0 1 381.476 3.500 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC([C@@H](C)O)CC1)N1CCCCC1 ZINC000157172882 1423943985 /nfs/dbraw/zinc/94/39/85/1423943985.db2.gz QWGNUXYULMDSCC-XLIONFOSSA-N 0 1 389.540 3.025 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC([C@H](C)O)CC1)N1CCCCC1 ZINC000157172728 1423944208 /nfs/dbraw/zinc/94/42/08/1423944208.db2.gz QWGNUXYULMDSCC-PXNSSMCTSA-N 0 1 389.540 3.025 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC([C@H](C)O)CC1)N1CCCCC1 ZINC000157173023 1423945153 /nfs/dbraw/zinc/94/51/53/1423945153.db2.gz QWGNUXYULMDSCC-FXAWDEMLSA-N 0 1 389.540 3.025 20 0 GGADMN C[C@@H](C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1[C@H](C)CC[C@@H]1C ZINC000157180955 1423946783 /nfs/dbraw/zinc/94/67/83/1423946783.db2.gz ISYNBOZURQNAEZ-XQQFMLRXSA-N 0 1 381.402 3.486 20 0 GGADMN C[C@H](OC[C@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000157182881 1423947526 /nfs/dbraw/zinc/94/75/26/1423947526.db2.gz RRKZNBIRRPMNSZ-BMGDILEWSA-N 0 1 398.931 3.378 20 0 GGADMN C[C@@H](OC[C@@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000157183342 1423947833 /nfs/dbraw/zinc/94/78/33/1423947833.db2.gz RRKZNBIRRPMNSZ-OLMNPRSZSA-N 0 1 398.931 3.378 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N(CC)c3ccccc3)ccc2NC1=O ZINC000180003289 1429685547 /nfs/dbraw/zinc/68/55/47/1429685547.db2.gz CTVFHLRGJYYJGX-HNAYVOBHSA-N 0 1 381.476 3.500 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(CC(C)C)C(C)C)ccc2NC1=O ZINC000180005534 1429685942 /nfs/dbraw/zinc/68/59/42/1429685942.db2.gz IFVNPQNTMKYADG-QAPCUYQASA-N 0 1 375.513 3.340 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000820758607 1423960268 /nfs/dbraw/zinc/96/02/68/1423960268.db2.gz AFCONMFNBKKFIZ-HZPDHXFCSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1)c1ccccc1 ZINC000820412572 1423964709 /nfs/dbraw/zinc/96/47/09/1423964709.db2.gz MBJKVDLBBGEZIT-AWEZNQCLSA-N 0 1 396.520 3.322 20 0 GGADMN COc1ccc(COC[C@@H](O)CN2CCc3c(Cl)cccc3C2)cc1OC ZINC000157265597 1423970550 /nfs/dbraw/zinc/97/05/50/1423970550.db2.gz UVGXPGSPNOVNES-KRWDZBQOSA-N 0 1 391.895 3.293 20 0 GGADMN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000157277629 1423972731 /nfs/dbraw/zinc/97/27/31/1423972731.db2.gz NUEVCKITTMQYSU-UHFFFAOYSA-N 0 1 391.471 3.155 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@](C)(c4ccccc4)C3)n[nH]2)c1 ZINC000157280702 1423973224 /nfs/dbraw/zinc/97/32/24/1423973224.db2.gz UIEXHYZHGSLZDM-QFIPXVFZSA-N 0 1 377.444 3.473 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@@](C)(c4ccccc4)C3)n[nH]2)c1 ZINC000157280538 1423973440 /nfs/dbraw/zinc/97/34/40/1423973440.db2.gz UIEXHYZHGSLZDM-JOCHJYFZSA-N 0 1 377.444 3.473 20 0 GGADMN C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(C)(C)C)cc1 ZINC000157283949 1423974268 /nfs/dbraw/zinc/97/42/68/1423974268.db2.gz HPOALVVOGSHTPO-ZBFHGGJFSA-N 0 1 397.562 3.411 20 0 GGADMN C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(C)(C)C)cc1 ZINC000157284092 1423974323 /nfs/dbraw/zinc/97/43/23/1423974323.db2.gz HPOALVVOGSHTPO-GOEBONIOSA-N 0 1 397.562 3.411 20 0 GGADMN C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(C)(C)C)cc1 ZINC000157284240 1423974342 /nfs/dbraw/zinc/97/43/42/1423974342.db2.gz HPOALVVOGSHTPO-GDBMZVCRSA-N 0 1 397.562 3.411 20 0 GGADMN Brc1ccsc1C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823831758 1429687425 /nfs/dbraw/zinc/68/74/25/1429687425.db2.gz BYFYHJONXVCLCC-UHFFFAOYSA-N 0 1 376.283 3.470 20 0 GGADMN C[C@@H](NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccc2c(c1)CCCC2 ZINC000157291909 1423977099 /nfs/dbraw/zinc/97/70/99/1423977099.db2.gz KBLPTJIKCNGYIE-IERDGZPVSA-N 0 1 387.549 3.146 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)c2ccc(F)cc2)c(OC)c1 ZINC000157296316 1423978246 /nfs/dbraw/zinc/97/82/46/1423978246.db2.gz HERAARLJZKAZBP-INIZCTEOSA-N 0 1 384.245 3.429 20 0 GGADMN Oc1ccccc1N1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000157312775 1423981786 /nfs/dbraw/zinc/98/17/86/1423981786.db2.gz AOCMCIHXZSXRDI-UHFFFAOYSA-N 0 1 384.867 3.460 20 0 GGADMN COc1ccc(-c2nc(SCCc3csc(C)n3)[nH]c(=O)c2C#N)cc1 ZINC000157341862 1423989857 /nfs/dbraw/zinc/98/98/57/1423989857.db2.gz KLSJDNKJGPTURY-UHFFFAOYSA-N 0 1 384.486 3.417 20 0 GGADMN CN(C)[C@H](CNC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)cc1 ZINC000157349342 1423991737 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394.621 3.140 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1COc2ccccc21 ZINC000158029058 1424142902 /nfs/dbraw/zinc/14/29/02/1424142902.db2.gz UASXFBYFGDWZAQ-WMZOPIPTSA-N 0 1 386.879 3.302 20 0 GGADMN Cc1ccc(C(=O)NC2CCN([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)s1 ZINC000158046344 1424147479 /nfs/dbraw/zinc/14/74/79/1424147479.db2.gz HGHNHLTYNJZZLU-HLLBOEOZSA-N 0 1 391.581 3.429 20 0 GGADMN Cc1ccc(C(=O)NC2CCN([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)s1 ZINC000158047270 1424148325 /nfs/dbraw/zinc/14/83/25/1424148325.db2.gz MQWSPNCMEJSVBZ-INIZCTEOSA-N 0 1 391.581 3.430 20 0 GGADMN c1c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000823786696 1424149432 /nfs/dbraw/zinc/14/94/32/1424149432.db2.gz BOYBNZUXFSOGBU-GOSISDBHSA-N 0 1 388.475 3.158 20 0 GGADMN c1c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000823786696 1424149438 /nfs/dbraw/zinc/14/94/38/1424149438.db2.gz BOYBNZUXFSOGBU-GOSISDBHSA-N 0 1 388.475 3.158 20 0 GGADMN c1c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000823786696 1424149442 /nfs/dbraw/zinc/14/94/42/1424149442.db2.gz BOYBNZUXFSOGBU-GOSISDBHSA-N 0 1 388.475 3.158 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000820659449 1424155445 /nfs/dbraw/zinc/15/54/45/1424155445.db2.gz XIHMXQFIRNLRTB-APWZRJJASA-N 0 1 394.498 3.491 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1CC ZINC000180037952 1429707700 /nfs/dbraw/zinc/70/77/00/1429707700.db2.gz XMDRPTJMUZZCJQ-UHFFFAOYSA-N 0 1 385.483 3.267 20 0 GGADMN CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428165 1424158265 /nfs/dbraw/zinc/15/82/65/1424158265.db2.gz DOUZVGAKAVUYKM-CQSZACIVSA-N 0 1 397.479 3.476 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC1(Cl)Cl ZINC000158082210 1424161388 /nfs/dbraw/zinc/16/13/88/1424161388.db2.gz WCBGYTAKOQEMEP-STQMWFEESA-N 0 1 377.699 3.320 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000180040185 1429708343 /nfs/dbraw/zinc/70/83/43/1429708343.db2.gz JYGJHSHAYXHAHG-ZVDOUQERSA-N 0 1 387.568 3.111 20 0 GGADMN COc1ccccc1[C@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000158093148 1424165573 /nfs/dbraw/zinc/16/55/73/1424165573.db2.gz NGTKKALRQITNIF-KRWDZBQOSA-N 0 1 389.517 3.357 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN[C@H](C)c2oc3ccccc3c2C)n1 ZINC000158095364 1424166437 /nfs/dbraw/zinc/16/64/37/1424166437.db2.gz OYSKOFKLNSCFJM-GFCCVEGCSA-N 0 1 387.461 3.203 20 0 GGADMN CCOCc1ccc(CNC(=O)CN2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000158094463 1424166775 /nfs/dbraw/zinc/16/67/75/1424166775.db2.gz IVCFGGAKMZVRSI-FQEVSTJZSA-N 0 1 382.504 3.337 20 0 GGADMN Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ccccc2n1 ZINC000826266363 1424167832 /nfs/dbraw/zinc/16/78/32/1424167832.db2.gz MNUKUBLEILZQOQ-NRFANRHFSA-N 0 1 386.459 3.297 20 0 GGADMN Cc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ccccc2n1 ZINC000826266363 1424167835 /nfs/dbraw/zinc/16/78/35/1424167835.db2.gz MNUKUBLEILZQOQ-NRFANRHFSA-N 0 1 386.459 3.297 20 0 GGADMN COc1cccc(OCCN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c1 ZINC000158106888 1424169290 /nfs/dbraw/zinc/16/92/90/1424169290.db2.gz PGCRLIHJGAPSDV-GOSISDBHSA-N 0 1 382.382 3.083 20 0 GGADMN CC[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(C)cc1 ZINC000820925477 1424169821 /nfs/dbraw/zinc/16/98/21/1424169821.db2.gz IPSROCJRHUFXQN-LJQANCHMSA-N 0 1 377.496 3.280 20 0 GGADMN COc1ccccc1[C@@H]1CCN(CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000158114043 1424170634 /nfs/dbraw/zinc/17/06/34/1424170634.db2.gz ZJUUDXCDJHGRIT-MRXNPFEDSA-N 0 1 395.528 3.453 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N(C)C3CCC(C)CC3)ccc2NC1=O ZINC000180029821 1429703345 /nfs/dbraw/zinc/70/33/45/1429703345.db2.gz URVCYIOEBYHFJK-ZSVMCUKPSA-N 0 1 387.524 3.484 20 0 GGADMN COc1cc2c(cc1CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 ZINC000158128313 1424173639 /nfs/dbraw/zinc/17/36/39/1424173639.db2.gz NKZBOCRPWIJMSH-YJBOKZPZSA-N 0 1 399.491 3.248 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N3CCc4sccc4C3)ccc2NC1=O ZINC000180029686 1429703545 /nfs/dbraw/zinc/70/35/45/1429703545.db2.gz DBFKVECFYBHART-DYVFJYSZSA-N 0 1 399.516 3.093 20 0 GGADMN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000180031585 1429704108 /nfs/dbraw/zinc/70/41/08/1429704108.db2.gz OOTXOVKCASBKFA-OAHLLOKOSA-N 0 1 383.330 3.007 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(C(=O)N(C)C)c3)ccc2NC1=O ZINC000180031930 1429704447 /nfs/dbraw/zinc/70/44/47/1429704447.db2.gz LLRFQHNEECDKKG-KUHUBIRLSA-N 0 1 381.476 3.349 20 0 GGADMN COc1cccc([C@H](NCCCS(=O)(=O)N(C)C)c2ccccc2Cl)c1 ZINC000158189234 1424189854 /nfs/dbraw/zinc/18/98/54/1424189854.db2.gz IARGOBHSTHAVAY-IBGZPJMESA-N 0 1 396.940 3.309 20 0 GGADMN Cn1cc([C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)c2cccc(F)c2)cn1 ZINC000180033366 1429704785 /nfs/dbraw/zinc/70/47/85/1429704785.db2.gz DNMIWLYCFFTYCP-GOTSBHOMSA-N 0 1 394.494 3.312 20 0 GGADMN CC1CCC(Oc2cc(CNC(=O)CN(C)[C@@H]3CCSC3)ccn2)CC1 ZINC000158191092 1424190627 /nfs/dbraw/zinc/19/06/27/1424190627.db2.gz VZDDCWQLYVYAGS-IIIMJFFVSA-N 0 1 377.554 3.093 20 0 GGADMN CC1CCC(Oc2cc(CNC(=O)CN(C)[C@H]3CCSC3)ccn2)CC1 ZINC000158191267 1424190953 /nfs/dbraw/zinc/19/09/53/1424190953.db2.gz VZDDCWQLYVYAGS-NXYGQSRBSA-N 0 1 377.554 3.093 20 0 GGADMN Cn1cc([C@@H](NC[C@H](c2ccccc2)N2CCOCC2)c2cccc(F)c2)cn1 ZINC000180033393 1429705096 /nfs/dbraw/zinc/70/50/96/1429705096.db2.gz DNMIWLYCFFTYCP-PKTZIBPZSA-N 0 1 394.494 3.312 20 0 GGADMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158205894 1424194733 /nfs/dbraw/zinc/19/47/33/1424194733.db2.gz GLEPPWJDLDKGFN-FVJLSDCUSA-N 0 1 379.545 3.109 20 0 GGADMN CC(C)N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000158213114 1424196908 /nfs/dbraw/zinc/19/69/08/1424196908.db2.gz JJWKFYMBQMFIIJ-SFHVURJKSA-N 0 1 375.513 3.195 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccnn2C(C)C)CC1 ZINC000158247012 1424207454 /nfs/dbraw/zinc/20/74/54/1424207454.db2.gz KPDRQVWQPJXBEX-INIZCTEOSA-N 0 1 387.503 3.236 20 0 GGADMN Cc1ccccc1-c1cc(C(=O)N2CC(N(C)C)C2)c2cnn(C(C)C)c2n1 ZINC000158249741 1424208064 /nfs/dbraw/zinc/20/80/64/1424208064.db2.gz JIPBUWSZXHBCDQ-UHFFFAOYSA-N 0 1 377.492 3.374 20 0 GGADMN CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821169695 1424214088 /nfs/dbraw/zinc/21/40/88/1424214088.db2.gz BASQTNCBCGCCEO-DNVCBOLYSA-N 0 1 378.480 3.127 20 0 GGADMN COc1ccc2ccccc2c1CNCCN(C)S(=O)(=O)c1cccs1 ZINC000158276162 1424215136 /nfs/dbraw/zinc/21/51/36/1424215136.db2.gz NALLRTCAMZDOKZ-UHFFFAOYSA-N 0 1 390.530 3.320 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@@]4(CCc5ccccc54)C3)n[nH]2)c1 ZINC000158287742 1424217353 /nfs/dbraw/zinc/21/73/53/1424217353.db2.gz CGHPOECGBZKVDQ-QHCPKHFHSA-N 0 1 389.455 3.399 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000158296366 1424219761 /nfs/dbraw/zinc/21/97/61/1424219761.db2.gz OOGKJAXHTYCVJL-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000158301864 1424221207 /nfs/dbraw/zinc/22/12/07/1424221207.db2.gz KGVJFSKRMOLDEM-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000158305915 1424222025 /nfs/dbraw/zinc/22/20/25/1424222025.db2.gz MJZTWQHKZRNREC-QGZVFWFLSA-N 0 1 390.487 3.229 20 0 GGADMN CCOc1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC ZINC000158311182 1424223487 /nfs/dbraw/zinc/22/34/87/1424223487.db2.gz WOLSHKPKDXUKGU-OAHLLOKOSA-N 0 1 392.521 3.324 20 0 GGADMN CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)CC(C)(C)CN1CCOCC1 ZINC000180040563 1429709349 /nfs/dbraw/zinc/70/93/49/1429709349.db2.gz HCDKDYQRGVTNAV-UHFFFAOYSA-N 0 1 398.473 3.382 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)C)CC2)ccc1N1CCSCC1 ZINC000158327064 1424226873 /nfs/dbraw/zinc/22/68/73/1424226873.db2.gz DNYYPDHLXORCRS-UHFFFAOYSA-N 0 1 376.570 3.354 20 0 GGADMN COC(=O)c1ccc([C@@H](C)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)o1 ZINC000158335070 1424229094 /nfs/dbraw/zinc/22/90/94/1424229094.db2.gz PNBAMJPOCAXVAE-VLIAUNLRSA-N 0 1 378.469 3.460 20 0 GGADMN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158355728 1424235628 /nfs/dbraw/zinc/23/56/28/1424235628.db2.gz DKMAEMXUAPUIOV-UHFFFAOYSA-N 0 1 392.507 3.284 20 0 GGADMN Cc1c(NC(=O)[C@H](C)N2CCC3(CCCC3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000158359319 1424236209 /nfs/dbraw/zinc/23/62/09/1424236209.db2.gz VBLLCJGERIWLDT-SFHVURJKSA-N 0 1 396.535 3.468 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)c2)CC1 ZINC000158368365 1424237630 /nfs/dbraw/zinc/23/76/30/1424237630.db2.gz JPCUOMFZPISMGR-PKTZIBPZSA-N 0 1 393.531 3.084 20 0 GGADMN CN(C(=O)c1ncn(-c2ccccc2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000158371165 1424238505 /nfs/dbraw/zinc/23/85/05/1424238505.db2.gz WNWDBGOLKMYROV-FQEVSTJZSA-N 0 1 375.476 3.004 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnn(CC(C)C)c2C)N2CCCC2)c1 ZINC000158373368 1424239174 /nfs/dbraw/zinc/23/91/74/1424239174.db2.gz HHNYECWILDTKKB-NRFANRHFSA-N 0 1 384.524 3.423 20 0 GGADMN CCC(CC)n1ncc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1C ZINC000158382646 1424241183 /nfs/dbraw/zinc/24/11/83/1424241183.db2.gz SVIZXSHJRSOWKP-UHFFFAOYSA-N 0 1 397.567 3.495 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3c[nH]c4ccc(OC)cc34)[nH]c21 ZINC000158402459 1424245683 /nfs/dbraw/zinc/24/56/83/1424245683.db2.gz GNWHRTAVGDMOLQ-UHFFFAOYSA-N 0 1 378.388 3.021 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(C)n(-c4nccs4)c3C)[nH]c21 ZINC000158401805 1424245926 /nfs/dbraw/zinc/24/59/26/1424245926.db2.gz TXVDUFYNYHSPCT-UHFFFAOYSA-N 0 1 395.444 3.466 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3coc(-c4cccs4)n3)[nH]c21 ZINC000158406877 1424246840 /nfs/dbraw/zinc/24/68/40/1424246840.db2.gz VZLVOCQRYXLKON-UHFFFAOYSA-N 0 1 382.401 3.247 20 0 GGADMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158416718 1424248835 /nfs/dbraw/zinc/24/88/35/1424248835.db2.gz YQSFSXQQMPLSSN-UWJYYQICSA-N 0 1 379.545 3.132 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@@H](CCO)c3ccccc3)n2)cc1 ZINC000158416801 1424248938 /nfs/dbraw/zinc/24/89/38/1424248938.db2.gz YNWNOFWWMFXNDB-SFHVURJKSA-N 0 1 396.516 3.454 20 0 GGADMN CCCc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)[nH]c(C)c1C(C)=O ZINC000158416519 1424248958 /nfs/dbraw/zinc/24/89/58/1424248958.db2.gz JXIUZEYAUQYHPD-UHFFFAOYSA-N 0 1 382.420 3.393 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)[nH]c21 ZINC000158425717 1424251382 /nfs/dbraw/zinc/25/13/82/1424251382.db2.gz BQDYMHSNHSXVTK-SECBINFHSA-N 0 1 375.331 3.034 20 0 GGADMN CCC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nnc2ccccn21 ZINC000158435138 1424253410 /nfs/dbraw/zinc/25/34/10/1424253410.db2.gz ROFZXCYDLKYYFI-IAGOWNOFSA-N 0 1 396.495 3.300 20 0 GGADMN COc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826202689 1424266796 /nfs/dbraw/zinc/26/67/96/1424266796.db2.gz INMJHBHYNSEYJA-UHFFFAOYSA-N 0 1 379.464 3.397 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2nnc(C(F)F)n2c1 ZINC000158474850 1424267895 /nfs/dbraw/zinc/26/78/95/1424267895.db2.gz CMXUSFGTRQJRHT-ZDUSSCGKSA-N 0 1 391.447 3.295 20 0 GGADMN CCNC(=O)C(C)(C)CN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000158483881 1424269136 /nfs/dbraw/zinc/26/91/36/1424269136.db2.gz WSUQVACZHFAXNS-IBGZPJMESA-N 0 1 383.492 3.127 20 0 GGADMN CCNC(=O)C(C)(C)CN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000158484035 1424269913 /nfs/dbraw/zinc/26/99/13/1424269913.db2.gz WSUQVACZHFAXNS-LJQANCHMSA-N 0 1 383.492 3.127 20 0 GGADMN CC[C@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(OC)cc1 ZINC000158483994 1424269933 /nfs/dbraw/zinc/26/99/33/1424269933.db2.gz KISIZHWOKFUVJL-LJQANCHMSA-N 0 1 396.535 3.042 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000737625685 1424270397 /nfs/dbraw/zinc/27/03/97/1424270397.db2.gz DFTOGOMGSVPEFN-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737625685 1424270406 /nfs/dbraw/zinc/27/04/06/1424270406.db2.gz DFTOGOMGSVPEFN-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000737625685 1424270415 /nfs/dbraw/zinc/27/04/15/1424270415.db2.gz DFTOGOMGSVPEFN-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN CCc1ccccc1NC(=O)CN1CCN(CCCc2cccc(OC)c2)CC1 ZINC000158490088 1424270653 /nfs/dbraw/zinc/27/06/53/1424270653.db2.gz GZUJUPUPZDUGPZ-UHFFFAOYSA-N 0 1 395.547 3.447 20 0 GGADMN CCNC(=O)C(C)(C)CN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000158495031 1424272238 /nfs/dbraw/zinc/27/22/38/1424272238.db2.gz GRPSQGCPDNAHFX-HXUWFJFHSA-N 0 1 397.519 3.435 20 0 GGADMN C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180048415 1429713018 /nfs/dbraw/zinc/71/30/18/1429713018.db2.gz JLDVDJXGSMZZCR-DOMZBBRYSA-N 0 1 377.847 3.456 20 0 GGADMN CCOCCOCc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825599697 1424274093 /nfs/dbraw/zinc/27/40/93/1424274093.db2.gz PXLYVLFAVJPUEK-HNNXBMFYSA-N 0 1 399.470 3.410 20 0 GGADMN CCOC(=O)CNC(=O)C1CCN([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000158510891 1424276006 /nfs/dbraw/zinc/27/60/06/1424276006.db2.gz ZFGFWBALRQELLT-QGZVFWFLSA-N 0 1 399.318 3.372 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000158522768 1424278352 /nfs/dbraw/zinc/27/83/52/1424278352.db2.gz KCOQATMDSXUKOZ-LJQANCHMSA-N 0 1 397.523 3.065 20 0 GGADMN CC[C@@H](CNC(=O)c1cnn(C2CCOCC2)c1C)N1CCc2ccccc2C1 ZINC000158533632 1424282312 /nfs/dbraw/zinc/28/23/12/1424282312.db2.gz RSHPALCPFIMUMX-FQEVSTJZSA-N 0 1 396.535 3.110 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)s1 ZINC000158578201 1424294526 /nfs/dbraw/zinc/29/45/26/1424294526.db2.gz JHUQQHIRKSCGPS-GJZGRUSLSA-N 0 1 396.578 3.462 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1cccs1 ZINC000158589838 1424296416 /nfs/dbraw/zinc/29/64/16/1424296416.db2.gz IVRVOBSVARYXQA-KRWDZBQOSA-N 0 1 387.549 3.443 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000158585967 1424296596 /nfs/dbraw/zinc/29/65/96/1424296596.db2.gz VUPQGQIUUMVRRW-DHIUTWEWSA-N 0 1 393.531 3.084 20 0 GGADMN Cc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cnn1CC(C)C ZINC000158591622 1424297334 /nfs/dbraw/zinc/29/73/34/1424297334.db2.gz WTEFWBSZOYLEQC-QZTJIDSGSA-N 0 1 398.551 3.387 20 0 GGADMN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821497129 1424303029 /nfs/dbraw/zinc/30/30/29/1424303029.db2.gz PTUTVIVFTBUTIU-CABCVRRESA-N 0 1 378.480 3.497 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@H](C)CS(=O)(=O)c3ccc(C)cc3)c(C)n2n1 ZINC000158621625 1424303504 /nfs/dbraw/zinc/30/35/04/1424303504.db2.gz LEAKLSCYOMNIOU-CVEARBPZSA-N 0 1 386.521 3.168 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1nc(Cl)ccc1Cl ZINC000158623322 1424304168 /nfs/dbraw/zinc/30/41/68/1424304168.db2.gz BJTSNVRRAZLTNV-GDBMZVCRSA-N 0 1 394.302 3.001 20 0 GGADMN CSc1ccc(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000158627099 1424304913 /nfs/dbraw/zinc/30/49/13/1424304913.db2.gz VWZPRUNJKMVREY-WIYYLYMNSA-N 0 1 384.545 3.330 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3(N(C)C)CCC3)cc2)cc1 ZINC000158632714 1424305665 /nfs/dbraw/zinc/30/56/65/1424305665.db2.gz YCYFPMDMMHMNEU-UHFFFAOYSA-N 0 1 387.505 3.219 20 0 GGADMN Cc1ccc(N2CC[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000158650379 1424310731 /nfs/dbraw/zinc/31/07/31/1424310731.db2.gz QJDGZHZKOPFHPZ-HXUWFJFHSA-N 0 1 393.487 3.157 20 0 GGADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)cc1 ZINC000158655160 1424311233 /nfs/dbraw/zinc/31/12/33/1424311233.db2.gz VHPQJVMUOSCCFZ-NQSCKRDGSA-N 0 1 384.495 3.319 20 0 GGADMN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000158654513 1424311666 /nfs/dbraw/zinc/31/16/66/1424311666.db2.gz VYXZKAZSEHPGFS-OXJNMPFZSA-N 0 1 390.886 3.021 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158667769 1424314143 /nfs/dbraw/zinc/31/41/43/1424314143.db2.gz SNCANWCXYHNIOE-UTKZUKDTSA-N 0 1 379.545 3.110 20 0 GGADMN Cc1ccc2c(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c[nH]c2c1 ZINC000158682334 1424317897 /nfs/dbraw/zinc/31/78/97/1424317897.db2.gz WGLWLHFVWWJUDT-XXBNENTESA-N 0 1 391.515 3.018 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000158686366 1424319446 /nfs/dbraw/zinc/31/94/46/1424319446.db2.gz OJJOFQSEEQGAPX-NFBKMPQASA-N 0 1 391.515 3.100 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158686366 1424319457 /nfs/dbraw/zinc/31/94/57/1424319457.db2.gz OJJOFQSEEQGAPX-NFBKMPQASA-N 0 1 391.515 3.100 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCCc1nc(C2CC2)no1)N1CCCC1 ZINC000158699715 1424322317 /nfs/dbraw/zinc/32/23/17/1424322317.db2.gz ZFAIFMAHCIMNHE-SFHVURJKSA-N 0 1 398.507 3.232 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2)C[C@H](C)O1 ZINC000158705889 1424323786 /nfs/dbraw/zinc/32/37/86/1424323786.db2.gz VPVAJNYSEQQHHH-BETUJISGSA-N 0 1 382.432 3.379 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)COc3cccc4[nH]ccc43)n2)cc1 ZINC000158715848 1424325339 /nfs/dbraw/zinc/32/53/39/1424325339.db2.gz OQCPZORSOPPBHH-AWEZNQCLSA-N 0 1 396.472 3.494 20 0 GGADMN Cc1ccc2oc(C(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2c1 ZINC000158730486 1424329175 /nfs/dbraw/zinc/32/91/75/1424329175.db2.gz OSGAIPWNVVDCOJ-QUCCMNQESA-N 0 1 378.472 3.354 20 0 GGADMN O=C(NCCN1CCCCC1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000158729414 1424329263 /nfs/dbraw/zinc/32/92/63/1424329263.db2.gz LHBRMFSJLYLJDA-UHFFFAOYSA-N 0 1 391.874 3.345 20 0 GGADMN CN(C(=O)c1ccc(CN2CCSCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000158741915 1424331717 /nfs/dbraw/zinc/33/17/17/1424331717.db2.gz SCQRYVDHYPZLHE-NRFANRHFSA-N 0 1 384.545 3.431 20 0 GGADMN O=C(CCc1ccc(Cl)s1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158747560 1424332964 /nfs/dbraw/zinc/33/29/64/1424332964.db2.gz HANCKVMXHJJOEB-SJLPKXTDSA-N 0 1 392.952 3.333 20 0 GGADMN CCOc1cc(CN2CCC[C@H](O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000158751127 1424334348 /nfs/dbraw/zinc/33/43/48/1424334348.db2.gz JPQDRDYGRWGKPR-IBGZPJMESA-N 0 1 392.540 3.066 20 0 GGADMN CCOc1cc(CN2CCC[C@H](O)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000158760688 1424336281 /nfs/dbraw/zinc/33/62/81/1424336281.db2.gz KPVUUPJUEJDULQ-IBGZPJMESA-N 0 1 384.476 3.060 20 0 GGADMN CC(C)c1cc(CN[C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)on1 ZINC000158782079 1424341074 /nfs/dbraw/zinc/34/10/74/1424341074.db2.gz SLIOAVQCKTYDLI-OXJNMPFZSA-N 0 1 387.480 3.314 20 0 GGADMN C[N@H+](Cc1cc(Br)cs1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825953221 1424343181 /nfs/dbraw/zinc/34/31/81/1424343181.db2.gz AQHSFSHGNDLYHG-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN C[N@@H+](Cc1cc(Br)cs1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825953221 1424343189 /nfs/dbraw/zinc/34/31/89/1424343189.db2.gz AQHSFSHGNDLYHG-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN COc1ccccc1-c1nnc(CN2CCC[N@@H+](Cc3ccccc3)CC2)o1 ZINC000158801167 1424345270 /nfs/dbraw/zinc/34/52/70/1424345270.db2.gz SQIHQPPPAJROLC-UHFFFAOYSA-N 0 1 378.476 3.453 20 0 GGADMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000158807156 1424347868 /nfs/dbraw/zinc/34/78/68/1424347868.db2.gz GGZUYVPJPOBXEO-UHFFFAOYSA-N 0 1 383.770 3.154 20 0 GGADMN Cc1cc(SC(C)(C)C)ccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000158817432 1424349134 /nfs/dbraw/zinc/34/91/34/1424349134.db2.gz ZSTHAEBTSXYFIW-UHFFFAOYSA-N 0 1 381.523 3.124 20 0 GGADMN CSc1nnc(CCCNC(=O)c2cccc3nc[nH]c32)n1C1CCCC1 ZINC000158825701 1424352056 /nfs/dbraw/zinc/35/20/56/1424352056.db2.gz LZGWNBLGZTWVFN-UHFFFAOYSA-N 0 1 384.509 3.354 20 0 GGADMN CCOCCCN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000158836734 1424354417 /nfs/dbraw/zinc/35/44/17/1424354417.db2.gz VGPKALBJRIGSMI-UHFFFAOYSA-N 0 1 398.429 3.300 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)nn1-c1ccc(C)cc1 ZINC000180061817 1429719917 /nfs/dbraw/zinc/71/99/17/1429719917.db2.gz IRUGFHHWSJFNME-LJQANCHMSA-N 0 1 397.523 3.065 20 0 GGADMN CC1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC1 ZINC000158844875 1424355848 /nfs/dbraw/zinc/35/58/48/1424355848.db2.gz UYXHAMPMKCQKEK-UHFFFAOYSA-N 0 1 379.485 3.406 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2Cl)CC1 ZINC000158891938 1424365612 /nfs/dbraw/zinc/36/56/12/1424365612.db2.gz PEQXLGCNWPJGHW-UHFFFAOYSA-N 0 1 385.855 3.327 20 0 GGADMN C[N@H+]1CCCN(C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000158895966 1424366354 /nfs/dbraw/zinc/36/63/54/1424366354.db2.gz OCKUSNURVDWULY-UHFFFAOYSA-N 0 1 381.402 3.120 20 0 GGADMN COC(=O)CCn1nc(C)c(CN2CCN(c3cccc(C)c3C)CC2)c1C ZINC000158915243 1424371510 /nfs/dbraw/zinc/37/15/10/1424371510.db2.gz PRSXISCMWXTGTB-UHFFFAOYSA-N 0 1 384.524 3.002 20 0 GGADMN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000158916010 1424371724 /nfs/dbraw/zinc/37/17/24/1424371724.db2.gz VWUWQXFLLMTICS-HZPDHXFCSA-N 0 1 394.581 3.139 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)[nH]n2)c1 ZINC000158922919 1424373661 /nfs/dbraw/zinc/37/36/61/1424373661.db2.gz VNAVURDSHUWJAT-UHFFFAOYSA-N 0 1 388.431 3.172 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000158925002 1424374171 /nfs/dbraw/zinc/37/41/71/1424374171.db2.gz MVJOYHNRTLMPSV-KSZLIROESA-N 0 1 393.503 3.238 20 0 GGADMN Oc1ccccc1N1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000158962101 1424382449 /nfs/dbraw/zinc/38/24/49/1424382449.db2.gz GBUUIWFSUPZGSI-QGZVFWFLSA-N 0 1 380.410 3.137 20 0 GGADMN Cc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1-c1ccc(F)cc1F ZINC000159005426 1424393030 /nfs/dbraw/zinc/39/30/30/1424393030.db2.gz NRYASLRFXHHWHJ-UHFFFAOYSA-N 0 1 385.349 3.404 20 0 GGADMN COC(=O)c1cc(CN(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)oc1C ZINC000159013697 1424395574 /nfs/dbraw/zinc/39/55/74/1424395574.db2.gz SEEZZLWWDLGENH-HNNXBMFYSA-N 0 1 385.382 3.429 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000159018974 1424397449 /nfs/dbraw/zinc/39/74/49/1424397449.db2.gz GPJZHWBWGNYKKA-LJQANCHMSA-N 0 1 397.523 3.048 20 0 GGADMN CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000159043654 1424403075 /nfs/dbraw/zinc/40/30/75/1424403075.db2.gz ICEQWMIPSUTCMW-KRWDZBQOSA-N 0 1 388.537 3.241 20 0 GGADMN CN(CCC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000159045939 1424403817 /nfs/dbraw/zinc/40/38/17/1424403817.db2.gz QFXJGVFJIIHPDI-MRXNPFEDSA-N 0 1 379.501 3.180 20 0 GGADMN CCCN1CCCC[C@H]1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000159055339 1424406134 /nfs/dbraw/zinc/40/61/34/1424406134.db2.gz OMFLUNQCIQFOMC-INIZCTEOSA-N 0 1 396.329 3.077 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000159058738 1424407145 /nfs/dbraw/zinc/40/71/45/1424407145.db2.gz KKQJHKFPOBWEDG-PZJWPPBQSA-N 0 1 399.560 3.323 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159113110 1424419951 /nfs/dbraw/zinc/41/99/51/1424419951.db2.gz OWJQJPKQCGKXEF-SFHVURJKSA-N 0 1 398.576 3.019 20 0 GGADMN CCc1ccc2c(CN(C)CCN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1 ZINC000159123586 1424422433 /nfs/dbraw/zinc/42/24/33/1424422433.db2.gz VLFNSZVCBGFTAS-UHFFFAOYSA-N 0 1 390.439 3.083 20 0 GGADMN Cc1c2cccc(C)c2oc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159135811 1424426015 /nfs/dbraw/zinc/42/60/15/1424426015.db2.gz UVZYABRSMFJDJT-LJQANCHMSA-N 0 1 378.472 3.199 20 0 GGADMN Fc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1-c1nnn[n-]1 ZINC000826374295 1429725361 /nfs/dbraw/zinc/72/53/61/1429725361.db2.gz TYMWWDPUIUCOPB-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@]1(C)CCCS1)N1CCCC1 ZINC000159157521 1424430946 /nfs/dbraw/zinc/43/09/46/1424430946.db2.gz SDOMFHZCADQHMV-FXAWDEMLSA-N 0 1 377.554 3.417 20 0 GGADMN O=C(CCNC(=O)c1cc(Cl)c2ccccc2c1O)NCc1ccccn1 ZINC000159169762 1424433859 /nfs/dbraw/zinc/43/38/59/1424433859.db2.gz OKPJPUHFMWCFMH-UHFFFAOYSA-N 0 1 383.835 3.030 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1cccc(F)c1 ZINC000159172282 1424434471 /nfs/dbraw/zinc/43/44/71/1424434471.db2.gz PCJCELZIQSGSDE-FHWLQOOXSA-N 0 1 389.471 3.319 20 0 GGADMN CCS[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825668979 1429726075 /nfs/dbraw/zinc/72/60/75/1429726075.db2.gz NRXIBUCMFUTOGT-MSOLQXFVSA-N 0 1 397.552 3.421 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)N(C)C)c1 ZINC000159174907 1424435328 /nfs/dbraw/zinc/43/53/28/1424435328.db2.gz YLMMSRUCXFVDIL-TYCQWZJGSA-N 0 1 385.508 3.109 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(OC)cc2F)cc1OC ZINC000159219200 1424446317 /nfs/dbraw/zinc/44/63/17/1424446317.db2.gz AOYUJYYKMMIYPF-CQSZACIVSA-N 0 1 390.455 3.209 20 0 GGADMN CCC[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1nn[n-]n1 ZINC000136671295 1424456228 /nfs/dbraw/zinc/45/62/28/1424456228.db2.gz DXODEHGCKCGVGW-IBGZPJMESA-N 0 1 378.480 3.103 20 0 GGADMN CCC[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1nnn[n-]1 ZINC000136671295 1424456232 /nfs/dbraw/zinc/45/62/32/1424456232.db2.gz DXODEHGCKCGVGW-IBGZPJMESA-N 0 1 378.480 3.103 20 0 GGADMN CCC[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1nnn[n-]1 ZINC000136671295 1424456238 /nfs/dbraw/zinc/45/62/38/1424456238.db2.gz DXODEHGCKCGVGW-IBGZPJMESA-N 0 1 378.480 3.103 20 0 GGADMN COc1cc([C@@H](C)N[C@H](C)C(=O)NCCc2ccccc2)cc(OC)c1OC ZINC000159246442 1424457984 /nfs/dbraw/zinc/45/79/84/1424457984.db2.gz JBCJBHNCACRZPG-HZPDHXFCSA-N 0 1 386.492 3.110 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)nn1-c1ccc(C)cc1 ZINC000180081455 1429728436 /nfs/dbraw/zinc/72/84/36/1429728436.db2.gz FUVJHLPJUATQSO-ROUUACIJSA-N 0 1 385.512 3.110 20 0 GGADMN COC(=O)C1(N(C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCCC1 ZINC000159272942 1424468715 /nfs/dbraw/zinc/46/87/15/1424468715.db2.gz NHRUAFSRXNEKMA-UHFFFAOYSA-N 0 1 398.507 3.235 20 0 GGADMN CC(=O)Nc1cccc(CNCc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC000180082212 1429728606 /nfs/dbraw/zinc/72/86/06/1429728606.db2.gz PCFYMJIYKFFPDW-UHFFFAOYSA-N 0 1 386.927 3.340 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(C)(Cl)Cl)CC1 ZINC000180081850 1429728635 /nfs/dbraw/zinc/72/86/35/1429728635.db2.gz JHBDMSSBRPRUNY-LBPRGKRZSA-N 0 1 376.303 3.339 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCCn2cccc2)CC1 ZINC000159276668 1424469940 /nfs/dbraw/zinc/46/99/40/1424469940.db2.gz UFCOWUSBTWCSES-GOSISDBHSA-N 0 1 386.515 3.427 20 0 GGADMN Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159279323 1424471483 /nfs/dbraw/zinc/47/14/83/1424471483.db2.gz MDLWLRDDKLJWJE-GOSISDBHSA-N 0 1 398.503 3.498 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)nn1-c1ccc(C)cc1 ZINC000180081438 1429728673 /nfs/dbraw/zinc/72/86/73/1429728673.db2.gz FUVJHLPJUATQSO-QZTJIDSGSA-N 0 1 385.512 3.110 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737332445 1424473965 /nfs/dbraw/zinc/47/39/65/1424473965.db2.gz WNYFLHFSRFADGY-INIZCTEOSA-N 0 1 382.493 3.402 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737332445 1424473969 /nfs/dbraw/zinc/47/39/69/1424473969.db2.gz WNYFLHFSRFADGY-INIZCTEOSA-N 0 1 382.493 3.402 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159291378 1424475272 /nfs/dbraw/zinc/47/52/72/1424475272.db2.gz VZLDIRHILHTQIB-APWZRJJASA-N 0 1 397.485 3.437 20 0 GGADMN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)n[nH]1 ZINC000159291507 1424475427 /nfs/dbraw/zinc/47/54/27/1424475427.db2.gz GORQPEWYTQEIFD-UHFFFAOYSA-N 0 1 399.476 3.102 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3)cc2)C[C@H](C)O1 ZINC000159312699 1424481504 /nfs/dbraw/zinc/48/15/04/1424481504.db2.gz TXTLACDYSRUBAP-CALCHBBNSA-N 0 1 388.533 3.311 20 0 GGADMN CC[C@]1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000180082578 1429729467 /nfs/dbraw/zinc/72/94/67/1429729467.db2.gz UPSROTMZCCIWNG-HXUWFJFHSA-N 0 1 390.459 3.498 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000159323030 1424484933 /nfs/dbraw/zinc/48/49/33/1424484933.db2.gz GJTWXQPVUWIUHS-OALUTQOASA-N 0 1 380.423 3.339 20 0 GGADMN O=C(NC[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1)Nc1cccc(F)c1 ZINC000159342605 1424490650 /nfs/dbraw/zinc/49/06/50/1424490650.db2.gz KSUFMGUXIXIMQX-AWEZNQCLSA-N 0 1 395.438 3.376 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821827848 1424505025 /nfs/dbraw/zinc/50/50/25/1424505025.db2.gz KVFOPPPQNRYRRV-DYVFJYSZSA-N 0 1 398.898 3.458 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cc2)c(-c2nnn[n-]2)c1 ZINC000823766720 1424505391 /nfs/dbraw/zinc/50/53/91/1424505391.db2.gz IJUUKBFSAIQMKA-UXHICEINSA-N 0 1 393.516 3.240 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)c1ccccc1Cl)c1cccc(F)c1 ZINC000159492723 1424507116 /nfs/dbraw/zinc/50/71/16/1424507116.db2.gz DVZAWOZAFYRKHA-AZUAARDMSA-N 0 1 393.890 3.289 20 0 GGADMN Cc1ccc(N2CC[C@@H](N3CCC(C(=O)Nc4ccc(C)cn4)CC3)C2=O)cc1 ZINC000159525607 1424510839 /nfs/dbraw/zinc/51/08/39/1424510839.db2.gz WPQUKQIZZWGPPV-HXUWFJFHSA-N 0 1 392.503 3.154 20 0 GGADMN Cc1nccc(NC(=O)NNC(=O)c2ccc(Br)s2)c1Cl ZINC000159557305 1424512603 /nfs/dbraw/zinc/51/26/03/1424512603.db2.gz KBLIIKYGVSDRGP-UHFFFAOYSA-N 0 1 389.662 3.334 20 0 GGADMN COc1ccc(C(F)(F)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000159550591 1424513193 /nfs/dbraw/zinc/51/31/93/1424513193.db2.gz HAUFIXWIMNYQPP-UHFFFAOYSA-N 0 1 375.419 3.178 20 0 GGADMN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000159572969 1424514948 /nfs/dbraw/zinc/51/49/48/1424514948.db2.gz RBUQPKRJWMSLIW-BATDWUPUSA-N 0 1 393.597 3.276 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CCN1CCOC ZINC000159580733 1424515774 /nfs/dbraw/zinc/51/57/74/1424515774.db2.gz VXPGJDLCVASIKX-GOSISDBHSA-N 0 1 392.519 3.391 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000159607991 1424517489 /nfs/dbraw/zinc/51/74/89/1424517489.db2.gz HSGGBXKMKXHHBY-UHFFFAOYSA-N 0 1 376.526 3.336 20 0 GGADMN Cn1cnnc1-c1cccc(NCc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC000180091371 1429732893 /nfs/dbraw/zinc/73/28/93/1429732893.db2.gz QMUQPAZWRSQHJJ-UHFFFAOYSA-N 0 1 396.926 3.499 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825919132 1424537680 /nfs/dbraw/zinc/53/76/80/1424537680.db2.gz VADBASAJCUXIDZ-UHFFFAOYSA-N 0 1 398.902 3.053 20 0 GGADMN CC(C)C[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824262055 1424548430 /nfs/dbraw/zinc/54/84/30/1424548430.db2.gz VIEHKLSJNHGBNG-UHFFFAOYSA-N 0 1 379.443 3.312 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1C ZINC000180094550 1429734538 /nfs/dbraw/zinc/73/45/38/1429734538.db2.gz XPLDFWSTBMOAKR-UHFFFAOYSA-N 0 1 392.477 3.338 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539884 1429734666 /nfs/dbraw/zinc/73/46/66/1429734666.db2.gz QMTPRVHULRJBQX-LIRRHRJNSA-N 0 1 391.454 3.374 20 0 GGADMN COc1cc(CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc(OC)c1OC ZINC000159935483 1424554890 /nfs/dbraw/zinc/55/48/90/1424554890.db2.gz NLOGMIKQCMZUPW-LJQANCHMSA-N 0 1 398.503 3.036 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccnn3CC3CC3)cc2)C[C@H](C)O1 ZINC000159952557 1424555520 /nfs/dbraw/zinc/55/55/20/1424555520.db2.gz RMNIVZYQIFOPBX-IRXDYDNUSA-N 0 1 397.523 3.224 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180094923 1429735063 /nfs/dbraw/zinc/73/50/63/1429735063.db2.gz LHLAIEAIKOPVPX-AWEZNQCLSA-N 0 1 378.394 3.404 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297621 1424560133 /nfs/dbraw/zinc/56/01/33/1424560133.db2.gz XSKODUIOVQMWNL-SJORKVTESA-N 0 1 385.422 3.176 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccnc4-n4cccn4)C3)[nH]c2c1 ZINC000159996888 1424560466 /nfs/dbraw/zinc/56/04/66/1424560466.db2.gz AJGVBOMNJZXMNZ-MRXNPFEDSA-N 0 1 386.459 3.472 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)CCN1CCOC ZINC000160064609 1424569108 /nfs/dbraw/zinc/56/91/08/1424569108.db2.gz RTKCEDAOAAEUNA-MRXNPFEDSA-N 0 1 392.525 3.045 20 0 GGADMN CC(C)(C)C(=O)N1CCC(CN2CCOC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000160100529 1424574185 /nfs/dbraw/zinc/57/41/85/1424574185.db2.gz JTNMBWZZSDHQRA-MSOLQXFVSA-N 0 1 394.581 3.157 20 0 GGADMN C[NH+](C)[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(F)c1 ZINC000736759548 1429736983 /nfs/dbraw/zinc/73/69/83/1429736983.db2.gz MVWLHPRQDROSCM-IBGZPJMESA-N 0 1 377.427 3.269 20 0 GGADMN COc1cccc([C@@H](O)C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000160163931 1424582977 /nfs/dbraw/zinc/58/29/77/1424582977.db2.gz RBQYUMAJMICCPR-RBBKRZOGSA-N 0 1 398.503 3.081 20 0 GGADMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824536951 1424583368 /nfs/dbraw/zinc/58/33/68/1424583368.db2.gz AVGNHDVHXXFVEJ-RLFYNMQTSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536951 1424583369 /nfs/dbraw/zinc/58/33/69/1424583369.db2.gz AVGNHDVHXXFVEJ-RLFYNMQTSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536951 1424583370 /nfs/dbraw/zinc/58/33/70/1424583370.db2.gz AVGNHDVHXXFVEJ-RLFYNMQTSA-N 0 1 380.471 3.319 20 0 GGADMN NC(=O)C1(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CCOCC1 ZINC000180099404 1429737315 /nfs/dbraw/zinc/73/73/15/1429737315.db2.gz WLMDZOXRRKDNLI-SFHVURJKSA-N 0 1 376.859 3.440 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736401051 1424585827 /nfs/dbraw/zinc/58/58/27/1424585827.db2.gz GDNQJYNMVILUBQ-CQSZACIVSA-N 0 1 387.557 3.054 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736401051 1424585830 /nfs/dbraw/zinc/58/58/30/1424585830.db2.gz GDNQJYNMVILUBQ-CQSZACIVSA-N 0 1 387.557 3.054 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736401051 1424585835 /nfs/dbraw/zinc/58/58/35/1424585835.db2.gz GDNQJYNMVILUBQ-CQSZACIVSA-N 0 1 387.557 3.054 20 0 GGADMN CCCc1nc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)nn1-c1ccccc1F ZINC000160229685 1424589185 /nfs/dbraw/zinc/58/91/85/1424589185.db2.gz WJAWLRBEPZJNFW-UHFFFAOYSA-N 0 1 395.398 3.298 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H](O)c3ccc(C)cc3)n2)cc1 ZINC000160228432 1424589299 /nfs/dbraw/zinc/58/92/99/1424589299.db2.gz PAGFUPFOJRMHKC-KRWDZBQOSA-N 0 1 382.489 3.030 20 0 GGADMN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)[nH]c21 ZINC000160414434 1424602463 /nfs/dbraw/zinc/60/24/63/1424602463.db2.gz RROBYCTUOIDUFB-UHFFFAOYSA-N 0 1 383.364 3.235 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820642328 1424611712 /nfs/dbraw/zinc/61/17/12/1424611712.db2.gz IAEIEMSEWJYABM-CZUORRHYSA-N 0 1 396.882 3.337 20 0 GGADMN COc1ccccc1CC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000737154291 1424628999 /nfs/dbraw/zinc/62/89/99/1424628999.db2.gz ZLANDQKATHBEHK-UHFFFAOYSA-N 0 1 393.491 3.209 20 0 GGADMN c1ccc(O[C@@H]2CCC[N@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000738434657 1429741296 /nfs/dbraw/zinc/74/12/96/1429741296.db2.gz HTCDFFHSHLXQPT-HXUWFJFHSA-N 0 1 379.464 3.179 20 0 GGADMN c1ccc(O[C@@H]2CCC[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000738434657 1429741300 /nfs/dbraw/zinc/74/13/00/1429741300.db2.gz HTCDFFHSHLXQPT-HXUWFJFHSA-N 0 1 379.464 3.179 20 0 GGADMN c1ccc(O[C@@H]2CCC[N@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000738434657 1429741304 /nfs/dbraw/zinc/74/13/04/1429741304.db2.gz HTCDFFHSHLXQPT-HXUWFJFHSA-N 0 1 379.464 3.179 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C[C@@H]1C ZINC000160863251 1424639766 /nfs/dbraw/zinc/63/97/66/1424639766.db2.gz XYFXVOWNYAXLGE-HDICACEKSA-N 0 1 385.512 3.062 20 0 GGADMN FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826368378 1424645728 /nfs/dbraw/zinc/64/57/28/1424645728.db2.gz NCZTZUDSIXNKBO-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826368378 1424645730 /nfs/dbraw/zinc/64/57/30/1424645730.db2.gz NCZTZUDSIXNKBO-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN CCC[C@@H](NCc1cn(C)nc1CC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180116518 1429744055 /nfs/dbraw/zinc/74/40/55/1429744055.db2.gz YLVNIBOZGSIVMX-OAQYLSRUSA-N 0 1 383.540 3.480 20 0 GGADMN COc1ccc(CNC(=O)CN[C@@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000160990754 1424650695 /nfs/dbraw/zinc/65/06/95/1424650695.db2.gz VYUGVCWYCWVXIF-AWEZNQCLSA-N 0 1 396.516 3.489 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccnc(Cl)c1F)N1CCCC1 ZINC000160997360 1424651195 /nfs/dbraw/zinc/65/11/95/1424651195.db2.gz QGJRYLVEQMFDCQ-HNNXBMFYSA-N 0 1 377.847 3.450 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccnc(Cl)c1F)N1CCCC1 ZINC000160997236 1424651218 /nfs/dbraw/zinc/65/12/18/1424651218.db2.gz QGJRYLVEQMFDCQ-OAHLLOKOSA-N 0 1 377.847 3.450 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447818 1424653661 /nfs/dbraw/zinc/65/36/61/1424653661.db2.gz LGTSPRBTBAZHCO-IAGOWNOFSA-N 0 1 383.525 3.294 20 0 GGADMN Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)nc1Cl ZINC000161113759 1424659795 /nfs/dbraw/zinc/65/97/95/1424659795.db2.gz PLULQZMVLGVXMY-UHFFFAOYSA-N 0 1 385.070 3.290 20 0 GGADMN CCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000825322824 1424661100 /nfs/dbraw/zinc/66/11/00/1424661100.db2.gz JRJPFKWRWDLUQY-MRXNPFEDSA-N 0 1 378.480 3.496 20 0 GGADMN CCC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000825322824 1424661103 /nfs/dbraw/zinc/66/11/03/1424661103.db2.gz JRJPFKWRWDLUQY-MRXNPFEDSA-N 0 1 378.480 3.496 20 0 GGADMN CCC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000825322824 1424661105 /nfs/dbraw/zinc/66/11/05/1424661105.db2.gz JRJPFKWRWDLUQY-MRXNPFEDSA-N 0 1 378.480 3.496 20 0 GGADMN CCc1nc(CCNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)cs1 ZINC000821506357 1424663282 /nfs/dbraw/zinc/66/32/82/1424663282.db2.gz WRXRLQMWTCHDHW-UHFFFAOYSA-N 0 1 379.493 3.127 20 0 GGADMN CCCc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1 ZINC000180118494 1429745160 /nfs/dbraw/zinc/74/51/60/1429745160.db2.gz RMEVVNJSFWYHLW-UHFFFAOYSA-N 0 1 398.488 3.033 20 0 GGADMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000161201562 1424666556 /nfs/dbraw/zinc/66/65/56/1424666556.db2.gz LFQHCFOQFOGDHG-UHFFFAOYSA-N 0 1 396.856 3.066 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737033306 1424669116 /nfs/dbraw/zinc/66/91/16/1424669116.db2.gz TZLOQHFZVAIFJC-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737033306 1424669119 /nfs/dbraw/zinc/66/91/19/1424669119.db2.gz TZLOQHFZVAIFJC-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737033306 1424669122 /nfs/dbraw/zinc/66/91/22/1424669122.db2.gz TZLOQHFZVAIFJC-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)OCc1ccccc1 ZINC000161277047 1424671863 /nfs/dbraw/zinc/67/18/63/1424671863.db2.gz LHEGXUBYKVCRQZ-UHFFFAOYSA-N 0 1 398.507 3.433 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN([C@@H](C)c1cccc(Br)c1)CC2 ZINC000161302754 1424673828 /nfs/dbraw/zinc/67/38/28/1424673828.db2.gz MESWXCOHZMKPAB-LBPRGKRZSA-N 0 1 381.270 3.294 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN([C@H](C)c1cccc(Br)c1)CC2 ZINC000161302874 1424674985 /nfs/dbraw/zinc/67/49/85/1424674985.db2.gz MESWXCOHZMKPAB-GFCCVEGCSA-N 0 1 381.270 3.294 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC000826220397 1424688762 /nfs/dbraw/zinc/68/87/62/1424688762.db2.gz MQZVOLSJAKIUHI-CABCVRRESA-N 0 1 396.470 3.192 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccnc(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000161536124 1424702620 /nfs/dbraw/zinc/70/26/20/1424702620.db2.gz IAUHESFXCIHVBI-ZIAGYGMSSA-N 0 1 391.874 3.413 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000161546463 1424706645 /nfs/dbraw/zinc/70/66/45/1424706645.db2.gz UBIRROHPEFQOCQ-XESHVACXSA-N 0 1 394.562 3.086 20 0 GGADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@H](C)c1cc(C)ccc1OC ZINC000161554234 1424709856 /nfs/dbraw/zinc/70/98/56/1424709856.db2.gz AFBPSPFNBUYQGL-QGZVFWFLSA-N 0 1 398.503 3.474 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NC2(C)CCC2)CC1 ZINC000161578026 1424715874 /nfs/dbraw/zinc/71/58/74/1424715874.db2.gz HNLOXTQDZMURND-UHFFFAOYSA-N 0 1 384.446 3.199 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)c2C)o1 ZINC000161587300 1424718951 /nfs/dbraw/zinc/71/89/51/1424718951.db2.gz SJDSVTCGPLBKBE-UHFFFAOYSA-N 0 1 397.460 3.313 20 0 GGADMN COC(=O)c1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1 ZINC000161616379 1424725353 /nfs/dbraw/zinc/72/53/53/1424725353.db2.gz NUUVEARBKRSDTP-UHFFFAOYSA-N 0 1 383.492 3.088 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2)N(C)C ZINC000161619426 1424726443 /nfs/dbraw/zinc/72/64/43/1424726443.db2.gz KSSSIBLPJFZSSW-FQEVSTJZSA-N 0 1 395.503 3.106 20 0 GGADMN C[N@@H+]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022861 1424726629 /nfs/dbraw/zinc/72/66/29/1424726629.db2.gz UGJBEHZGXWGUNL-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022861 1424726631 /nfs/dbraw/zinc/72/66/31/1424726631.db2.gz UGJBEHZGXWGUNL-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000161632553 1424729426 /nfs/dbraw/zinc/72/94/26/1424729426.db2.gz QOFFHBNUGHIYLK-UHFFFAOYSA-N 0 1 397.910 3.207 20 0 GGADMN COC(=O)C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)c(F)c1 ZINC000161663281 1424734814 /nfs/dbraw/zinc/73/48/14/1424734814.db2.gz ASIOCYHCIOGLDQ-ZBEGNZNMSA-N 0 1 379.819 3.043 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4ccccc4F)C3)n[nH]2)cc1 ZINC000161667943 1424736488 /nfs/dbraw/zinc/73/64/88/1424736488.db2.gz OQYKOFVGGPBGOA-HXUWFJFHSA-N 0 1 381.407 3.438 20 0 GGADMN COc1ccc2c(c1)C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)CC2 ZINC000826212705 1424740288 /nfs/dbraw/zinc/74/02/88/1424740288.db2.gz YYFPPCGHZISVLT-SFHVURJKSA-N 0 1 395.532 3.256 20 0 GGADMN Cc1ccccc1OCCC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737430868 1424752393 /nfs/dbraw/zinc/75/23/93/1424752393.db2.gz AOYWKMKODZCHAF-UHFFFAOYSA-N 0 1 393.491 3.487 20 0 GGADMN CCOc1cc2c(cc1CN[C@H](C)c1ccc(-n3cnnn3)cc1)O[C@H](C)C2 ZINC000161731651 1424753071 /nfs/dbraw/zinc/75/30/71/1424753071.db2.gz HZMOLLVKJTUCAT-HUUCEWRRSA-N 0 1 379.464 3.235 20 0 GGADMN O=C(NCc1ccccc1OCC(F)(F)F)c1cccc(-c2nnc[nH]2)c1 ZINC000161750713 1424757302 /nfs/dbraw/zinc/75/73/02/1424757302.db2.gz NRJFVLWHLUMBQY-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN O=C(Nc1nc2c(s1)CCCC2)N1CCC(CCCN2CCOCC2)CC1 ZINC000161780201 1424763430 /nfs/dbraw/zinc/76/34/30/1424763430.db2.gz LVKMDEJXJQNKEV-UHFFFAOYSA-N 0 1 392.569 3.378 20 0 GGADMN C[C@]1(O)CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000161802828 1424768475 /nfs/dbraw/zinc/76/84/75/1424768475.db2.gz KVFYTHBTEFCJGL-FQEVSTJZSA-N 0 1 379.932 3.108 20 0 GGADMN C[C@@]1(O)CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000161802886 1424769200 /nfs/dbraw/zinc/76/92/00/1424769200.db2.gz KVFYTHBTEFCJGL-HXUWFJFHSA-N 0 1 379.932 3.108 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cnn(CCC(C)C)c3C)n2)cc1 ZINC000161825417 1424773617 /nfs/dbraw/zinc/77/36/17/1424773617.db2.gz QOHXQUISABUJJQ-UHFFFAOYSA-N 0 1 397.483 3.353 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cnn(CCC(C)C)c3C)n[nH]2)cc1 ZINC000161825417 1424773627 /nfs/dbraw/zinc/77/36/27/1424773627.db2.gz QOHXQUISABUJJQ-UHFFFAOYSA-N 0 1 397.483 3.353 20 0 GGADMN C[C@H]1CC(=O)CC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000161875798 1424784843 /nfs/dbraw/zinc/78/48/43/1424784843.db2.gz CCNUAZRWKUMIRW-YWZLYKJASA-N 0 1 392.927 3.305 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2CCC(C)C)c(-c2nnn[n-]2)c1C ZINC000822558005 1424785514 /nfs/dbraw/zinc/78/55/14/1424785514.db2.gz LKONGYCRXZREHY-AWEZNQCLSA-N 0 1 376.530 3.384 20 0 GGADMN CC1([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)OCCO1 ZINC000161877012 1424785543 /nfs/dbraw/zinc/78/55/43/1424785543.db2.gz KXRVFIRUDZNIDB-CYBMUJFWSA-N 0 1 385.258 3.332 20 0 GGADMN CCN(CC)CCN(Cc1ccccc1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000161882330 1424786615 /nfs/dbraw/zinc/78/66/15/1424786615.db2.gz VRVYOUNTKZUCQS-UHFFFAOYSA-N 0 1 394.562 3.136 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000161901471 1424792072 /nfs/dbraw/zinc/79/20/72/1424792072.db2.gz QPTBNUSEFZATNL-CZUORRHYSA-N 0 1 383.423 3.003 20 0 GGADMN COCCCOc1cc(C)ccc1CNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000161928066 1424798832 /nfs/dbraw/zinc/79/88/32/1424798832.db2.gz ZPKPYWJOZYYZMH-IBGZPJMESA-N 0 1 376.884 3.380 20 0 GGADMN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000161933736 1424800102 /nfs/dbraw/zinc/80/01/02/1424800102.db2.gz GEPQLUCHLOZDNI-MRXNPFEDSA-N 0 1 395.850 3.427 20 0 GGADMN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000161933736 1424800106 /nfs/dbraw/zinc/80/01/06/1424800106.db2.gz GEPQLUCHLOZDNI-MRXNPFEDSA-N 0 1 395.850 3.427 20 0 GGADMN Clc1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1-c1nnn[n-]1 ZINC000737573458 1424802650 /nfs/dbraw/zinc/80/26/50/1424802650.db2.gz IEYFWVBRBYCAEE-LBPRGKRZSA-N 0 1 389.916 3.301 20 0 GGADMN Clc1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1-c1nn[n-]n1 ZINC000737573458 1424802656 /nfs/dbraw/zinc/80/26/56/1424802656.db2.gz IEYFWVBRBYCAEE-LBPRGKRZSA-N 0 1 389.916 3.301 20 0 GGADMN Clc1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1-c1nn[n-]n1 ZINC000737573458 1424802662 /nfs/dbraw/zinc/80/26/62/1424802662.db2.gz IEYFWVBRBYCAEE-LBPRGKRZSA-N 0 1 389.916 3.301 20 0 GGADMN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000161959880 1424803482 /nfs/dbraw/zinc/80/34/82/1424803482.db2.gz AQRABUUMDCLRAS-YJBOKZPZSA-N 0 1 395.507 3.220 20 0 GGADMN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000161959880 1424803483 /nfs/dbraw/zinc/80/34/83/1424803483.db2.gz AQRABUUMDCLRAS-YJBOKZPZSA-N 0 1 395.507 3.220 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000161964949 1424804109 /nfs/dbraw/zinc/80/41/09/1424804109.db2.gz PYZDQUALHLREKB-LBPRGKRZSA-N 0 1 394.518 3.063 20 0 GGADMN O=C1[C@@H](Nc2ccc(CCN3CCOCC3)cc2)CCCN1c1ccccc1F ZINC000161978824 1424805643 /nfs/dbraw/zinc/80/56/43/1424805643.db2.gz DNISYQGWZNCDRQ-NRFANRHFSA-N 0 1 397.494 3.308 20 0 GGADMN C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 ZINC000161983611 1424805927 /nfs/dbraw/zinc/80/59/27/1424805927.db2.gz JRYHHQIWMXXFTH-UHFFFAOYSA-N 0 1 397.544 3.223 20 0 GGADMN CN1CCCN(C(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 ZINC000161983611 1424805929 /nfs/dbraw/zinc/80/59/29/1424805929.db2.gz JRYHHQIWMXXFTH-UHFFFAOYSA-N 0 1 397.544 3.223 20 0 GGADMN Cn1cnc(-c2cccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)c2)n1 ZINC000162010009 1424808251 /nfs/dbraw/zinc/80/82/51/1424808251.db2.gz YBEJHFDVOFGDPO-QGZVFWFLSA-N 0 1 380.452 3.034 20 0 GGADMN CC[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000162015576 1424808597 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CC(C)CN1Cc2cccc(NC(=O)[C@H]3CCCCN3C(=O)[C@@H]3CCCO3)c2C1 ZINC000162233627 1424829141 /nfs/dbraw/zinc/82/91/41/1424829141.db2.gz PAAVXIJYZIHAPX-RTWAWAEBSA-N 0 1 399.535 3.157 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c[nH]c12 ZINC000162242669 1424830199 /nfs/dbraw/zinc/83/01/99/1424830199.db2.gz OGDSOOPHOGJSFG-UHFFFAOYSA-N 0 1 381.476 3.114 20 0 GGADMN CN(C)C(=O)C1(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCCC1 ZINC000162262673 1424832123 /nfs/dbraw/zinc/83/21/23/1424832123.db2.gz VPBDBJPGKLIKMH-UHFFFAOYSA-N 0 1 379.411 3.271 20 0 GGADMN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824545826 1424832784 /nfs/dbraw/zinc/83/27/84/1424832784.db2.gz DTUUEAQXSPCJSS-CQSZACIVSA-N 0 1 398.461 3.460 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000162270061 1424833031 /nfs/dbraw/zinc/83/30/31/1424833031.db2.gz RIRKKFYBFICFPG-IBGZPJMESA-N 0 1 378.457 3.395 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)c2C1 ZINC000824262339 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GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000826285574 1424850181 /nfs/dbraw/zinc/85/01/81/1424850181.db2.gz CZFXIVLFGZGFBY-RHSMWYFYSA-N 0 1 394.479 3.201 20 0 GGADMN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162426950 1424850441 /nfs/dbraw/zinc/85/04/41/1424850441.db2.gz XNYHDGRJAVUASH-OAHLLOKOSA-N 0 1 391.512 3.465 20 0 GGADMN Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(N(C)C)n1 ZINC000162427880 1424850574 /nfs/dbraw/zinc/85/05/74/1424850574.db2.gz ZIWVNHSCJJQTTG-UHFFFAOYSA-N 0 1 385.487 3.381 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@H]2CCCS2)N2CCCCC2)cc1 ZINC000162434627 1424850855 /nfs/dbraw/zinc/85/08/55/1424850855.db2.gz OQBUJHWTCKZJDU-RTBURBONSA-N 0 1 377.554 3.417 20 0 GGADMN COc1cccc([C@H](O)C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 ZINC000162430437 1424851009 /nfs/dbraw/zinc/85/10/09/1424851009.db2.gz CKFLUYUJSHCIFZ-FQEVSTJZSA-N 0 1 386.517 3.225 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@@H]2CCCS2)N2CCCCC2)cc1 ZINC000162434504 1424851178 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GGADMN CC[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccccc1OC(F)F ZINC000162487115 1424858053 /nfs/dbraw/zinc/85/80/53/1424858053.db2.gz ZUOVTLICBPOAGN-INIZCTEOSA-N 0 1 384.448 3.307 20 0 GGADMN Clc1ccc(N2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)cc1 ZINC000822578126 1424859300 /nfs/dbraw/zinc/85/93/00/1424859300.db2.gz DHTGKICGZMWQSY-UHFFFAOYSA-N 0 1 391.866 3.395 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)NCc1cc(=O)n2c(C)csc2n1 ZINC000162508523 1424860070 /nfs/dbraw/zinc/86/00/70/1424860070.db2.gz WJQBDJNPFRPANQ-GOSISDBHSA-N 0 1 392.912 3.450 20 0 GGADMN COc1ccc(-c2nnc(NC(=O)c3cccc(-c4nnc[nH]4)c3)s2)cc1 ZINC000162517465 1424860652 /nfs/dbraw/zinc/86/06/52/1424860652.db2.gz SQESBDRJXVFQNQ-UHFFFAOYSA-N 0 1 378.417 3.251 20 0 GGADMN CCC1(CO)CCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000162527132 1424862494 /nfs/dbraw/zinc/86/24/94/1424862494.db2.gz NBPGSSDDJHEHLL-FQEVSTJZSA-N 0 1 389.540 3.026 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccn(-c4ccccc4Cl)n3)[nH]c21 ZINC000162541546 1424864464 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COCc1ccc([C@H]2CCCN2C(=O)NCCN2CCc3ccccc3C2)o1 ZINC000162657056 1424875998 /nfs/dbraw/zinc/87/59/98/1424875998.db2.gz VVJLPQUNGAEVLP-HXUWFJFHSA-N 0 1 383.492 3.331 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(F)cc2OC(F)F)CCN1CCOC ZINC000162673682 1424877844 /nfs/dbraw/zinc/87/78/44/1424877844.db2.gz YFFKNMAZLAMFPF-AWEZNQCLSA-N 0 1 389.418 3.392 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CCN1CCOC ZINC000162707327 1424882769 /nfs/dbraw/zinc/88/27/69/1424882769.db2.gz BGZHOJOULMZOIV-DLBZAZTESA-N 0 1 380.558 3.045 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000821786912 1424888555 /nfs/dbraw/zinc/88/85/55/1424888555.db2.gz LFCKJDGJVAAPPA-SFHVURJKSA-N 0 1 383.427 3.360 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(-c2nnc[nH]2)c1 ZINC000162762380 1424888796 /nfs/dbraw/zinc/88/87/96/1424888796.db2.gz GLUJQLDLUXVTII-CQSZACIVSA-N 0 1 385.830 3.273 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)s1 ZINC000162785630 1424890653 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O=S(=O)(Cc1c(F)cccc1F)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000162890947 1424900790 /nfs/dbraw/zinc/90/07/90/1424900790.db2.gz BQKGXLJHDVUZON-UHFFFAOYSA-N 0 1 399.806 3.288 20 0 GGADMN O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162912651 1424904915 /nfs/dbraw/zinc/90/49/15/1424904915.db2.gz VHSOQDMXZUZHCG-INIZCTEOSA-N 0 1 378.480 3.295 20 0 GGADMN CC[C@@H](NCc1ccc(S(=O)(=O)NCCOC)cc1)c1cc(F)ccc1F ZINC000162920770 1424906532 /nfs/dbraw/zinc/90/65/32/1424906532.db2.gz YQYMLZIKDRFKEQ-LJQANCHMSA-N 0 1 398.475 3.130 20 0 GGADMN C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000162921253 1424906674 /nfs/dbraw/zinc/90/66/74/1424906674.db2.gz BSJGBECKBFMZBQ-AEFFLSMTSA-N 0 1 386.448 3.102 20 0 GGADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)c(Cl)c1OC ZINC000162927097 1424907227 /nfs/dbraw/zinc/90/72/27/1424907227.db2.gz PLVAQZZDADYQKC-UHFFFAOYSA-N 0 1 376.888 3.116 20 0 GGADMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OC[C@H]1CCCN1Cc1ccco1 ZINC000162927959 1424907455 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C[C@H](NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000164483863 1425115907 /nfs/dbraw/zinc/11/59/07/1425115907.db2.gz ZRGWJBWSKGJOBF-NHYWBVRUSA-N 0 1 390.369 3.368 20 0 GGADMN CNC(=O)c1ccc(CN(CCC(=O)Nc2ccc(C(C)=O)cc2)C2CC2)cc1 ZINC000164485948 1425117313 /nfs/dbraw/zinc/11/73/13/1425117313.db2.gz XVELHZOMINDPBA-UHFFFAOYSA-N 0 1 393.487 3.242 20 0 GGADMN CCc1ccnc(C(=O)N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1 ZINC000180168356 1429778628 /nfs/dbraw/zinc/77/86/28/1429778628.db2.gz FGNXZQBYMGNCFK-UHFFFAOYSA-N 0 1 396.535 3.401 20 0 GGADMN CC(C)COCCCNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164504879 1425118657 /nfs/dbraw/zinc/11/86/57/1425118657.db2.gz NGDFHHVAMOUKQO-OAHLLOKOSA-N 0 1 399.417 3.275 20 0 GGADMN COc1cccc2c1OC[C@H](N[C@H](C)c1nnn(-c3ccc(F)cc3)c1C)C2 ZINC000164545014 1425121978 /nfs/dbraw/zinc/12/19/78/1425121978.db2.gz XMVKMEVOAGGKLW-CXAGYDPISA-N 0 1 382.439 3.378 20 0 GGADMN CCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000164547107 1425122724 /nfs/dbraw/zinc/12/27/24/1425122724.db2.gz VPWRXRFLPBALPR-UHFFFAOYSA-N 0 1 394.519 3.195 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)Nc1ccccc1C(C)C ZINC000164552483 1425123975 /nfs/dbraw/zinc/12/39/75/1425123975.db2.gz OTNMLPJHZSTOLD-UHFFFAOYSA-N 0 1 394.519 3.447 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCOc3ccc(C)cc3Cl)C2)CC1 ZINC000164591767 1425126527 /nfs/dbraw/zinc/12/65/27/1425126527.db2.gz VNBQGSHFFYGOPV-GOSISDBHSA-N 0 1 393.959 3.046 20 0 GGADMN C[C@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)c1nc(-c2ccccc2)no1 ZINC000824428981 1425127271 /nfs/dbraw/zinc/12/72/71/1425127271.db2.gz VEKRLIBUGXVSJJ-CYBMUJFWSA-N 0 1 398.430 3.102 20 0 GGADMN COCCCN(Cc1ccncc1)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000164622438 1425129908 /nfs/dbraw/zinc/12/99/08/1425129908.db2.gz BGOUIUFZTYNBJO-UHFFFAOYSA-N 0 1 380.448 3.159 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000164638932 1425131850 /nfs/dbraw/zinc/13/18/50/1425131850.db2.gz NOSOYOSETFLMDD-IBGZPJMESA-N 0 1 389.584 3.204 20 0 GGADMN Cc1cc[nH+]c(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826309780 1425133609 /nfs/dbraw/zinc/13/36/09/1425133609.db2.gz BGUIWHOWOZSPKP-KRWDZBQOSA-N 0 1 384.871 3.174 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)c[nH]c12 ZINC000164679191 1425134129 /nfs/dbraw/zinc/13/41/29/1425134129.db2.gz JXQLWLJLUGDFDO-OAHLLOKOSA-N 0 1 387.443 3.311 20 0 GGADMN CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000824100158 1425134797 /nfs/dbraw/zinc/13/47/97/1425134797.db2.gz MOSUGBDYDZFJFW-SFHVURJKSA-N 0 1 398.511 3.233 20 0 GGADMN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000164764665 1425141058 /nfs/dbraw/zinc/14/10/58/1425141058.db2.gz BEVRMBMLCFIQND-UHFFFAOYSA-N 0 1 396.900 3.411 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)[C@H]1c1cccc(F)c1 ZINC000824962649 1425141164 /nfs/dbraw/zinc/14/11/64/1425141164.db2.gz WMLSFRQUCFDXBM-BFUOFWGJSA-N 0 1 377.427 3.237 20 0 GGADMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc(Cl)cnc3N)c2)n1 ZINC000164793564 1425142961 /nfs/dbraw/zinc/14/29/61/1425142961.db2.gz OHLFEUCEDGNNHZ-UHFFFAOYSA-N 0 1 393.856 3.039 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C(=O)N2CCOCC2)C(C)C)cnn1-c1cc(C)ccc1C ZINC000164849943 1425146829 /nfs/dbraw/zinc/14/68/29/1425146829.db2.gz NBFJHPFWWKRFNC-PGRDOPGGSA-N 0 1 398.551 3.332 20 0 GGADMN O=C(CN(C[C@H]1CCOC1)C1CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000164867973 1425148260 /nfs/dbraw/zinc/14/82/60/1425148260.db2.gz MPQYSXHJRXLADR-MRXNPFEDSA-N 0 1 380.492 3.189 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737149083 1425151348 /nfs/dbraw/zinc/15/13/48/1425151348.db2.gz WFUNIKSBMHBDRU-LJQANCHMSA-N 0 1 379.464 3.481 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737149083 1425151350 /nfs/dbraw/zinc/15/13/50/1425151350.db2.gz WFUNIKSBMHBDRU-LJQANCHMSA-N 0 1 379.464 3.481 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737149083 1425151357 /nfs/dbraw/zinc/15/13/57/1425151357.db2.gz WFUNIKSBMHBDRU-LJQANCHMSA-N 0 1 379.464 3.481 20 0 GGADMN C[NH+](C)CC[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736759872 1425151484 /nfs/dbraw/zinc/15/14/84/1425151484.db2.gz YEIDUKLJVUBQRF-AWEZNQCLSA-N 0 1 395.964 3.173 20 0 GGADMN CC[C@@H](N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)N1CCOCC1 ZINC000165030350 1425157562 /nfs/dbraw/zinc/15/75/62/1425157562.db2.gz FFNIESKBKVNJHU-FXAWDEMLSA-N 0 1 384.524 3.086 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820414546 1425157845 /nfs/dbraw/zinc/15/78/45/1425157845.db2.gz ZBBCLXXURYWANG-HUUCEWRRSA-N 0 1 376.464 3.405 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](CCO)C(C)(C)C)CCN2C2CC2)c1 ZINC000165049664 1425160148 /nfs/dbraw/zinc/16/01/48/1425160148.db2.gz JZXNRMNDUBJUBJ-XUVXKRRUSA-N 0 1 389.540 3.069 20 0 GGADMN C[C@@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000824626196 1425161917 /nfs/dbraw/zinc/16/19/17/1425161917.db2.gz NLWZOOSFTBDMQB-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN NCc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)o1 ZINC000165147403 1425167183 /nfs/dbraw/zinc/16/71/83/1425167183.db2.gz UWHPJHGAVFBDDZ-GOSISDBHSA-N 0 1 381.501 3.329 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(F)cc1 ZINC000822020594 1425167520 /nfs/dbraw/zinc/16/75/20/1425167520.db2.gz FKCGCOBYMZNMJX-QWHCGFSZSA-N 0 1 392.442 3.307 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000821650646 1425168583 /nfs/dbraw/zinc/16/85/83/1425168583.db2.gz WFFYRDGUPPGPHO-BPAFIMBUSA-N 0 1 391.475 3.267 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)ccc2o1 ZINC000165332047 1425175265 /nfs/dbraw/zinc/17/52/65/1425175265.db2.gz FGOIWHZNIMMGBU-MRXNPFEDSA-N 0 1 383.452 3.445 20 0 GGADMN C[C@H](NC1CCN(Cc2ccncc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000165358913 1425176595 /nfs/dbraw/zinc/17/65/95/1425176595.db2.gz ZEFIYTIZWUWBGW-KRWDZBQOSA-N 0 1 377.492 3.371 20 0 GGADMN O[C@H](CNCc1ccc(-c2ccccc2F)o1)COc1ccc2c(c1)OCO2 ZINC000165372314 1425177542 /nfs/dbraw/zinc/17/75/42/1425177542.db2.gz HIOSHLFPGOTIDJ-CQSZACIVSA-N 0 1 385.391 3.344 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cc(-c3nn[n-]n3)cs2)C1 ZINC000820709310 1425182124 /nfs/dbraw/zinc/18/21/24/1425182124.db2.gz HEAWMVUWHJJGEA-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cc(-c3nn[n-]n3)cs2)C1 ZINC000820709310 1425182130 /nfs/dbraw/zinc/18/21/30/1425182130.db2.gz HEAWMVUWHJJGEA-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cc(-c3nnn[n-]3)cs2)C1 ZINC000820709310 1425182135 /nfs/dbraw/zinc/18/21/35/1425182135.db2.gz HEAWMVUWHJJGEA-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cc(-c3nnn[n-]3)cs2)C1 ZINC000820709310 1425182138 /nfs/dbraw/zinc/18/21/38/1425182138.db2.gz HEAWMVUWHJJGEA-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2cccc(OC)c2OC)cc1 ZINC000165964543 1425203945 /nfs/dbraw/zinc/20/39/45/1425203945.db2.gz URGYXEMDQZAPLS-AWEZNQCLSA-N 0 1 378.494 3.316 20 0 GGADMN O=C(NC[C@H]1CCCO1)c1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000166077559 1425205748 /nfs/dbraw/zinc/20/57/48/1425205748.db2.gz UYCNZUAKECQNDQ-LJQANCHMSA-N 0 1 390.430 3.487 20 0 GGADMN O=C1CCc2cc(OC[C@@H](O)CNCc3cccc(Cl)c3Cl)ccc2N1 ZINC000166306334 1425210360 /nfs/dbraw/zinc/21/03/60/1425210360.db2.gz UZPSHXNONXDUPU-AWEZNQCLSA-N 0 1 395.286 3.408 20 0 GGADMN N[C@H](C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)c1cccc(Cl)c1 ZINC000166802314 1425217220 /nfs/dbraw/zinc/21/72/20/1425217220.db2.gz AOPVPZXFSCLEGN-KRWDZBQOSA-N 0 1 397.866 3.191 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)n1 ZINC000166994414 1425219968 /nfs/dbraw/zinc/21/99/68/1425219968.db2.gz QGAQMDWBXVYMEM-SFHVURJKSA-N 0 1 394.500 3.142 20 0 GGADMN CC[C@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1cnn(C)c1 ZINC000167306660 1425224201 /nfs/dbraw/zinc/22/42/01/1425224201.db2.gz GOULEXPGGOSPLK-FQEVSTJZSA-N 0 1 378.480 3.378 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094821 1425227715 /nfs/dbraw/zinc/22/77/15/1425227715.db2.gz IQUOZLXKPSASAC-KSZLIROESA-N 0 1 383.496 3.342 20 0 GGADMN C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1)c1ccccc1 ZINC000820412575 1425232151 /nfs/dbraw/zinc/23/21/51/1425232151.db2.gz MBJKVDLBBGEZIT-CQSZACIVSA-N 0 1 396.520 3.322 20 0 GGADMN C[C@@H]1CN(c2ccc(CNCc3ccc(OC(F)F)c(F)c3)cn2)CCO1 ZINC000168061232 1425234562 /nfs/dbraw/zinc/23/45/62/1425234562.db2.gz MEWUKCHFWLRWGW-CYBMUJFWSA-N 0 1 381.398 3.337 20 0 GGADMN Cc1c([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)nnn1-c1ccc(F)cc1 ZINC000168184213 1425235384 /nfs/dbraw/zinc/23/53/84/1425235384.db2.gz JOQWXCILOWBUBQ-CJNGLKHVSA-N 0 1 384.434 3.178 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2cc(C)ccc2OC(F)F)cc1 ZINC000168624336 1425239756 /nfs/dbraw/zinc/23/97/56/1425239756.db2.gz PZQXKMNZRWUUQC-ZDUSSCGKSA-N 0 1 384.448 3.355 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000824546485 1425242222 /nfs/dbraw/zinc/24/22/22/1425242222.db2.gz 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CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736637830 1425375511 /nfs/dbraw/zinc/37/55/11/1425375511.db2.gz RBKRGWMETKJIKX-LJQANCHMSA-N 0 1 392.463 3.041 20 0 GGADMN CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736637830 1425375520 /nfs/dbraw/zinc/37/55/20/1425375520.db2.gz RBKRGWMETKJIKX-LJQANCHMSA-N 0 1 392.463 3.041 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)Cc3c(C)n[nH]c3C)cc2Cl)CC1 ZINC000170880597 1425380486 /nfs/dbraw/zinc/38/04/86/1425380486.db2.gz DITBHJDVGFEWRW-UHFFFAOYSA-N 0 1 389.931 3.393 20 0 GGADMN Cc1cnn(CCCCCN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000170884498 1425380903 /nfs/dbraw/zinc/38/09/03/1425380903.db2.gz KTMSANQFGUEXIB-UHFFFAOYSA-N 0 1 393.535 3.230 20 0 GGADMN CC(C)[C@H](CNC(=O)NC1(c2ccc(F)cc2)CCCC1)N1CCN(C)CC1 ZINC000170888928 1425381762 /nfs/dbraw/zinc/38/17/62/1425381762.db2.gz KHHVARDIELQDDX-FQEVSTJZSA-N 0 1 390.547 3.166 20 0 GGADMN COC[C@H](C)CNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170890069 1425382004 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3.264 20 0 GGADMN CC(C)(C)c1csc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)n1 ZINC000170921796 1425394971 /nfs/dbraw/zinc/39/49/71/1425394971.db2.gz XDHFLBMWIPQWGV-UHFFFAOYSA-N 0 1 387.553 3.299 20 0 GGADMN C[C@@H](CCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)NC(=O)OC(C)(C)C ZINC000170925436 1425396133 /nfs/dbraw/zinc/39/61/33/1425396133.db2.gz LNXJAZBVJWNJKH-WMLDXEAASA-N 0 1 396.507 3.031 20 0 GGADMN Cc1cccnc1CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000170938643 1425401912 /nfs/dbraw/zinc/40/19/12/1425401912.db2.gz NNNYBRKSBSAGGM-INIZCTEOSA-N 0 1 380.492 3.005 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000170947641 1425407149 /nfs/dbraw/zinc/40/71/49/1425407149.db2.gz WTPDCYIGGQTCTK-AWEZNQCLSA-N 0 1 399.491 3.294 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)/C=C(\C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000170950393 1425412345 /nfs/dbraw/zinc/41/23/45/1425412345.db2.gz AGSVQMZTACXVES-JRJUITNWSA-N 0 1 395.469 3.347 20 0 GGADMN c1nn(Cc2ccccc2)cc1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867949 1425413607 /nfs/dbraw/zinc/41/36/07/1425413607.db2.gz KOGXGDMYPPUFPW-UHFFFAOYSA-N 0 1 397.486 3.401 20 0 GGADMN c1nn(Cc2ccccc2)cc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867949 1425413609 /nfs/dbraw/zinc/41/36/09/1425413609.db2.gz KOGXGDMYPPUFPW-UHFFFAOYSA-N 0 1 397.486 3.401 20 0 GGADMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000820633542 1425418717 /nfs/dbraw/zinc/41/87/17/1425418717.db2.gz CDIPEDLUHXRJNS-OAQYLSRUSA-N 0 1 387.447 3.080 20 0 GGADMN CN(CCCNC(=O)CNC1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000170970906 1425421606 /nfs/dbraw/zinc/42/16/06/1425421606.db2.gz UTHNKDDDOYGOOM-UHFFFAOYSA-N 0 1 399.510 3.064 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c(C)c1 ZINC000170971684 1425422387 /nfs/dbraw/zinc/42/23/87/1425422387.db2.gz GBCGGYDAECUBOX-UHFFFAOYSA-N 0 1 399.466 3.386 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)NCc1cc(F)cc(F)c1 ZINC000170972061 1425422427 /nfs/dbraw/zinc/42/24/27/1425422427.db2.gz BQUIOOIVGIDVGV-UHFFFAOYSA-N 0 1 378.394 3.016 20 0 GGADMN Cc1ncccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000170989599 1425425230 /nfs/dbraw/zinc/42/52/30/1425425230.db2.gz FUAYVTNXPKOUJF-UHFFFAOYSA-N 0 1 378.398 3.413 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000822732047 1425425635 /nfs/dbraw/zinc/42/56/35/1425425635.db2.gz HNBIZUKXZVNGDX-ZFWWWQNUSA-N 0 1 381.452 3.328 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000822732047 1425425639 /nfs/dbraw/zinc/42/56/39/1425425639.db2.gz HNBIZUKXZVNGDX-ZFWWWQNUSA-N 0 1 381.452 3.328 20 0 GGADMN Cc1nc(C)c(CCNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)s1 ZINC000170993610 1425426123 /nfs/dbraw/zinc/42/61/23/1425426123.db2.gz QVTVOHXUMSIEPV-UHFFFAOYSA-N 0 1 387.553 3.184 20 0 GGADMN C[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccnc1 ZINC000171004545 1425432213 /nfs/dbraw/zinc/43/22/13/1425432213.db2.gz QDJVIYZMMYNMJV-HOTGVXAUSA-N 0 1 385.487 3.094 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](C)c1cccnc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171004549 1425432427 /nfs/dbraw/zinc/43/24/27/1425432427.db2.gz QDJVIYZMMYNMJV-JKSUJKDBSA-N 0 1 385.487 3.094 20 0 GGADMN Cc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)n(-c2ccc(F)cc2)n1 ZINC000171007381 1425433963 /nfs/dbraw/zinc/43/39/63/1425433963.db2.gz KXCPKHRNCXSMDO-UHFFFAOYSA-N 0 1 393.426 3.313 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824413521 1425436466 /nfs/dbraw/zinc/43/64/66/1425436466.db2.gz MSZMIGAAIBBJSI-LBPRGKRZSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824413521 1425436485 /nfs/dbraw/zinc/43/64/85/1425436485.db2.gz MSZMIGAAIBBJSI-LBPRGKRZSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824413521 1425436488 /nfs/dbraw/zinc/43/64/88/1425436488.db2.gz MSZMIGAAIBBJSI-LBPRGKRZSA-N 0 1 391.401 3.213 20 0 GGADMN Fc1ccc(-c2nc(CCNc3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)co2)cc1 ZINC000737649315 1425439125 /nfs/dbraw/zinc/43/91/25/1425439125.db2.gz FDDYRYPRMHRIEP-UHFFFAOYSA-N 0 1 391.410 3.199 20 0 GGADMN COc1ccc2cc(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)ccc2n1 ZINC000171029086 1425446521 /nfs/dbraw/zinc/44/65/21/1425446521.db2.gz OULJPGFGECXXQE-UHFFFAOYSA-N 0 1 376.420 3.236 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OC3CCCC3)nc2)[nH]n1 ZINC000171045793 1425453702 /nfs/dbraw/zinc/45/37/02/1425453702.db2.gz ASBZRIXUCNSNPO-UHFFFAOYSA-N 0 1 380.452 3.396 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000737559440 1425457987 /nfs/dbraw/zinc/45/79/87/1425457987.db2.gz XWQAVSROPXPPMY-OAHLLOKOSA-N 0 1 375.908 3.372 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737559440 1425457989 /nfs/dbraw/zinc/45/79/89/1425457989.db2.gz XWQAVSROPXPPMY-OAHLLOKOSA-N 0 1 375.908 3.372 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000737559440 1425457994 /nfs/dbraw/zinc/45/79/94/1425457994.db2.gz XWQAVSROPXPPMY-OAHLLOKOSA-N 0 1 375.908 3.372 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3ccc([C@@H](C)O)cc3)CC2)cc1 ZINC000171062644 1425462700 /nfs/dbraw/zinc/46/27/00/1425462700.db2.gz QCXMBKNOAZYKNH-GOSISDBHSA-N 0 1 397.519 3.166 20 0 GGADMN CC[NH+](CC)Cc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821198803 1425463391 /nfs/dbraw/zinc/46/33/91/1425463391.db2.gz WKRBFGGMVDXRHH-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN C[C@@H]1Oc2ccc(C(=O)C3CCN(CCOc4ccccc4)CC3)cc2NC1=O ZINC000171066330 1425465033 /nfs/dbraw/zinc/46/50/33/1425465033.db2.gz JCEVYFHWMOTPPW-INIZCTEOSA-N 0 1 394.471 3.380 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(Cl)nc2Cl)o1 ZINC000171067309 1425466032 /nfs/dbraw/zinc/46/60/32/1425466032.db2.gz KDMKBQRJUUIXQH-UHFFFAOYSA-N 0 1 392.308 3.042 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000171071116 1425467482 /nfs/dbraw/zinc/46/74/82/1425467482.db2.gz ARAYHGRQKDHLGZ-UHFFFAOYSA-N 0 1 385.556 3.089 20 0 GGADMN CC(C)CCN1Cc2cccc(NC(=O)c3ccnc(-n4cncn4)c3)c2C1 ZINC000171072998 1425468686 /nfs/dbraw/zinc/46/86/86/1425468686.db2.gz PTEQGZQSQUAZIX-UHFFFAOYSA-N 0 1 376.464 3.276 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1F ZINC000171095454 1425479956 /nfs/dbraw/zinc/47/99/56/1425479956.db2.gz RZJZUSGMQRLMCF-GOSISDBHSA-N 0 1 389.471 3.496 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1F ZINC000171096066 1425480604 /nfs/dbraw/zinc/48/06/04/1425480604.db2.gz JQKYYNKQKRIOKO-GOSISDBHSA-N 0 1 377.435 3.118 20 0 GGADMN c1ccc([C@H]2OCCC[C@@H]2CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000823780977 1425484518 /nfs/dbraw/zinc/48/45/18/1425484518.db2.gz XZFNNKWYTCAEPO-IIBYNOLFSA-N 0 1 386.459 3.417 20 0 GGADMN Clc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737575363 1425486227 /nfs/dbraw/zinc/48/62/27/1425486227.db2.gz RSIDCFQJHJWUKG-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737575363 1425486231 /nfs/dbraw/zinc/48/62/31/1425486231.db2.gz RSIDCFQJHJWUKG-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737575363 1425486235 /nfs/dbraw/zinc/48/62/35/1425486235.db2.gz RSIDCFQJHJWUKG-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826167960 1425493308 /nfs/dbraw/zinc/49/33/08/1425493308.db2.gz XPBWDXWYSHQYQL-CTNGQTDRSA-N 0 1 393.491 3.475 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826167960 1425493311 /nfs/dbraw/zinc/49/33/11/1425493311.db2.gz XPBWDXWYSHQYQL-CTNGQTDRSA-N 0 1 393.491 3.475 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826167960 1425493314 /nfs/dbraw/zinc/49/33/14/1425493314.db2.gz XPBWDXWYSHQYQL-CTNGQTDRSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2cc(C(=O)NC[C@H](C)N3CCN(C)CC3)sc2C)cc1 ZINC000171136121 1425500209 /nfs/dbraw/zinc/50/02/09/1425500209.db2.gz MLYDTIOYZQCGSU-HNNXBMFYSA-N 0 1 387.549 3.098 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccccc2N2CCCCC2)c1 ZINC000171136388 1425500397 /nfs/dbraw/zinc/50/03/97/1425500397.db2.gz VXFOYBSJZBEKJM-KRWDZBQOSA-N 0 1 387.549 3.436 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H](C2OCCO2)C1 ZINC000171141294 1425504562 /nfs/dbraw/zinc/50/45/62/1425504562.db2.gz JUPCMWPVANMGGA-CQSZACIVSA-N 0 1 387.307 3.037 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](C2OCCO2)C1)c1ccc(Cl)c(Cl)c1 ZINC000171144320 1425506414 /nfs/dbraw/zinc/50/64/14/1425506414.db2.gz QUDBHJBQAGQJAE-JSGCOSHPSA-N 0 1 387.307 3.256 20 0 GGADMN C[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000736267861 1425508690 /nfs/dbraw/zinc/50/86/90/1425508690.db2.gz PSIPFVZCCNZOJC-RYUDHWBXSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000736267861 1425508695 /nfs/dbraw/zinc/50/86/95/1425508695.db2.gz PSIPFVZCCNZOJC-RYUDHWBXSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000736267861 1425508699 /nfs/dbraw/zinc/50/86/99/1425508699.db2.gz PSIPFVZCCNZOJC-RYUDHWBXSA-N 0 1 393.948 3.069 20 0 GGADMN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(CC(C)(C)O)CC2)c1 ZINC000171155651 1425513274 /nfs/dbraw/zinc/51/32/74/1425513274.db2.gz DDGKPDDPXAYSMK-QFIPXVFZSA-N 0 1 395.547 3.372 20 0 GGADMN CC(C)CCOc1ccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1 ZINC000171156478 1425513907 /nfs/dbraw/zinc/51/39/07/1425513907.db2.gz PPXPLNOXSFCVAE-INIZCTEOSA-N 0 1 393.509 3.145 20 0 GGADMN CN(C)C(=O)c1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000171161345 1425517846 /nfs/dbraw/zinc/51/78/46/1425517846.db2.gz UXVJKJZZBJWJOM-SFHVURJKSA-N 0 1 378.432 3.369 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000171165219 1425521540 /nfs/dbraw/zinc/52/15/40/1425521540.db2.gz YOLXRDSYAJSVIQ-UHFFFAOYSA-N 0 1 383.374 3.313 20 0 GGADMN C[C@H]1CC([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C[C@H](C)O1 ZINC000824893386 1425523281 /nfs/dbraw/zinc/52/32/81/1425523281.db2.gz QHXLSFQNGDHRQK-HOTGVXAUSA-N 0 1 393.491 3.491 20 0 GGADMN COc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826201818 1425525026 /nfs/dbraw/zinc/52/50/26/1425525026.db2.gz FKBRMERAKCSHCJ-QFBILLFUSA-N 0 1 379.464 3.133 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSC[C@@H]2CCCCO2)CC1 ZINC000171183676 1425529145 /nfs/dbraw/zinc/52/91/45/1425529145.db2.gz LOSSZMZTALZTTJ-INIZCTEOSA-N 0 1 397.972 3.333 20 0 GGADMN Cn1nccc1NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000171187667 1425530890 /nfs/dbraw/zinc/53/08/90/1425530890.db2.gz PERHUJHJTUDZOB-UHFFFAOYSA-N 0 1 390.852 3.127 20 0 GGADMN Cc1sc(=O)n(CC(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1C ZINC000171194406 1425533307 /nfs/dbraw/zinc/53/33/07/1425533307.db2.gz UVNHLZYJWCLEBH-OAHLLOKOSA-N 0 1 384.505 3.118 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CNC(=O)c4cccc(F)c4)C3)[nH]c2c1 ZINC000171196818 1425534952 /nfs/dbraw/zinc/53/49/52/1425534952.db2.gz GLFHFINAWDSKSI-INIZCTEOSA-N 0 1 394.450 3.146 20 0 GGADMN FC(F)Oc1ccc2[nH+]cc(-c3nnn[n-]3)c(N[C@@H]3CCC(F)(F)C3)c2c1 ZINC000822737070 1425536053 /nfs/dbraw/zinc/53/60/53/1425536053.db2.gz PEKWJWZWXRUQCU-MRVPVSSYSA-N 0 1 382.321 3.038 20 0 GGADMN CCCCOCCNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000171204071 1425538713 /nfs/dbraw/zinc/53/87/13/1425538713.db2.gz XSKINLQQHNQQMB-KRWDZBQOSA-N 0 1 394.535 3.145 20 0 GGADMN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CNC(C)(C)COC ZINC000171205376 1425539241 /nfs/dbraw/zinc/53/92/41/1425539241.db2.gz KUYBIZXPOIZPKS-UHFFFAOYSA-N 0 1 380.466 3.138 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H](OC)C2)CC1 ZINC000171207602 1425539992 /nfs/dbraw/zinc/53/99/92/1425539992.db2.gz PDQKDTPYHUWCKV-MRXNPFEDSA-N 0 1 380.920 3.125 20 0 GGADMN CCCN(C(=O)c1ccc(C(N)=O)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000171214679 1425543279 /nfs/dbraw/zinc/54/32/79/1425543279.db2.gz YWKXOTHOBZMGRD-KRWDZBQOSA-N 0 1 385.533 3.364 20 0 GGADMN c1ccc(-c2noc(CCC[NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)cc1 ZINC000826519895 1425548929 /nfs/dbraw/zinc/54/89/29/1425548929.db2.gz SSAWJQXUDRZSOH-UHFFFAOYSA-N 0 1 387.447 3.128 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCc2ccc3c(c2)OCCO3)N2CCCC2)o1 ZINC000171228831 1425551878 /nfs/dbraw/zinc/55/18/78/1425551878.db2.gz VBRYKAXLMKXQPV-SFHVURJKSA-N 0 1 399.491 3.038 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2COc3ccccc3O2)N2CCCC2)o1 ZINC000171228951 1425553069 /nfs/dbraw/zinc/55/30/69/1425553069.db2.gz AVWOCKFLPAIMNZ-ROUUACIJSA-N 0 1 399.491 3.206 20 0 GGADMN COC(=O)c1sc2ccccc2c1CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000171235678 1425558390 /nfs/dbraw/zinc/55/83/90/1425558390.db2.gz ZZOHIORJNVJVCF-HNNXBMFYSA-N 0 1 386.517 3.426 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC(C2OCCO2)CC1 ZINC000171237413 1425559407 /nfs/dbraw/zinc/55/94/07/1425559407.db2.gz QMDSMBGLPCRGNB-UHFFFAOYSA-N 0 1 387.307 3.037 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)N2CCCC2)o1 ZINC000171239599 1425560320 /nfs/dbraw/zinc/56/03/20/1425560320.db2.gz SIYRVJIBJAYCLQ-HXUWFJFHSA-N 0 1 393.491 3.410 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(C2OCCO2)CC1)c1ccc2ccccc2c1 ZINC000171238326 1425560859 /nfs/dbraw/zinc/56/08/59/1425560859.db2.gz SPNWZEKJEATTCO-SJORKVTESA-N 0 1 382.504 3.490 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)c(C)o1 ZINC000171240428 1425561984 /nfs/dbraw/zinc/56/19/84/1425561984.db2.gz XNJZUJOTDHHUGJ-HLLBOEOZSA-N 0 1 389.540 3.269 20 0 GGADMN C[C@H](NC(=O)N1CCn2cccc2[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171241659 1425562181 /nfs/dbraw/zinc/56/21/81/1425562181.db2.gz NQBNIGAFTMSMMH-IRXDYDNUSA-N 0 1 399.514 3.226 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)N(C)C3CCCCC3)CC2)c(C)o1 ZINC000171240352 1425562282 /nfs/dbraw/zinc/56/22/82/1425562282.db2.gz PINWHRDUBNTEFM-MRXNPFEDSA-N 0 1 389.540 3.270 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCc2nc3ccccc3n2C)N2CCCC2)o1 ZINC000171240389 1425562490 /nfs/dbraw/zinc/56/24/90/1425562490.db2.gz YKRYRCSXBCEEQC-SFHVURJKSA-N 0 1 381.480 3.111 20 0 GGADMN COc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)cc1-c1nnn[n-]1 ZINC000826202814 1425563431 /nfs/dbraw/zinc/56/34/31/1425563431.db2.gz NVLUFQWSDIGZLA-UHFFFAOYSA-N 0 1 398.898 3.419 20 0 GGADMN CC(C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1ccc(Br)cc1 ZINC000819984597 1425568620 /nfs/dbraw/zinc/56/86/20/1425568620.db2.gz ZARRNVNOAWXKCB-UHFFFAOYSA-N 0 1 376.258 3.290 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2scnc2c1 ZINC000171261355 1425578933 /nfs/dbraw/zinc/57/89/33/1425578933.db2.gz NWLOVAFXOBAILV-SFHVURJKSA-N 0 1 394.500 3.188 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2scnc2c1 ZINC000171261351 1425578980 /nfs/dbraw/zinc/57/89/80/1425578980.db2.gz NWLOVAFXOBAILV-GOSISDBHSA-N 0 1 394.500 3.188 20 0 GGADMN Fc1cccc([C@@H]2CC[N@H+](Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)c1 ZINC000822787367 1425578962 /nfs/dbraw/zinc/57/89/62/1425578962.db2.gz ZXYVNOCRWJFSKC-MRXNPFEDSA-N 0 1 391.410 3.045 20 0 GGADMN Fc1cccc([C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)c1 ZINC000822787367 1425578966 /nfs/dbraw/zinc/57/89/66/1425578966.db2.gz ZXYVNOCRWJFSKC-MRXNPFEDSA-N 0 1 391.410 3.045 20 0 GGADMN CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435415 1425581724 /nfs/dbraw/zinc/58/17/24/1425581724.db2.gz XFDYWWYPVVFAMN-MRXNPFEDSA-N 0 1 388.479 3.339 20 0 GGADMN CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435415 1425581728 /nfs/dbraw/zinc/58/17/28/1425581728.db2.gz XFDYWWYPVVFAMN-MRXNPFEDSA-N 0 1 388.479 3.339 20 0 GGADMN CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435415 1425581733 /nfs/dbraw/zinc/58/17/33/1425581733.db2.gz XFDYWWYPVVFAMN-MRXNPFEDSA-N 0 1 388.479 3.339 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@H](Oc4ccccn4)C3)c2c1 ZINC000822195144 1425587987 /nfs/dbraw/zinc/58/79/87/1425587987.db2.gz IMJSAWTXQRMOCP-OAHLLOKOSA-N 0 1 387.447 3.084 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2)CC1 ZINC000825856599 1425591554 /nfs/dbraw/zinc/59/15/54/1425591554.db2.gz YDOADKMGDZWEEI-UHFFFAOYSA-N 0 1 398.902 3.189 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(N2CCCC2)nn1 ZINC000171290816 1425596824 /nfs/dbraw/zinc/59/68/24/1425596824.db2.gz HLOZAPNJYPCSRR-QFIPXVFZSA-N 0 1 398.470 3.473 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1)c1ccco1 ZINC000171290910 1425597160 /nfs/dbraw/zinc/59/71/60/1425597160.db2.gz TXYQBAYKHIAXJS-HNNXBMFYSA-N 0 1 379.407 3.355 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)NCCc3cccc(O)c3)cc2)C[C@H](C)O1 ZINC000171293834 1425599365 /nfs/dbraw/zinc/59/93/65/1425599365.db2.gz ANCGUMQDTXFDTN-ROUUACIJSA-N 0 1 397.519 3.043 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCCO[C@@H](C)C1)N1CCCCC1 ZINC000171315307 1425613023 /nfs/dbraw/zinc/61/30/23/1425613023.db2.gz WVSFLUILCFJEST-HKUYNNGSSA-N 0 1 375.513 3.043 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCCO[C@H](C)C1)N1CCCCC1 ZINC000171315310 1425613310 /nfs/dbraw/zinc/61/33/10/1425613310.db2.gz WVSFLUILCFJEST-IEBWSBKVSA-N 0 1 375.513 3.043 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)NC(C)(C)CCc2ccccc2)CC1 ZINC000171320864 1425615896 /nfs/dbraw/zinc/61/58/96/1425615896.db2.gz OHXSOSDYNMWXFK-UHFFFAOYSA-N 0 1 395.551 3.044 20 0 GGADMN O=C(NCc1cc(-c2ccccc2)on1)NC1CCN(Cc2ccncc2)CC1 ZINC000171333726 1425623331 /nfs/dbraw/zinc/62/33/31/1425623331.db2.gz PDXRJNUIQPDPPY-UHFFFAOYSA-N 0 1 391.475 3.200 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000171339842 1425625553 /nfs/dbraw/zinc/62/55/53/1425625553.db2.gz ALRZPLIJONOHTJ-HXUWFJFHSA-N 0 1 397.544 3.441 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)ccc1OC(C)C ZINC000171343243 1425627203 /nfs/dbraw/zinc/62/72/03/1425627203.db2.gz CVMSIVAUBRGZHE-UHFFFAOYSA-N 0 1 386.477 3.223 20 0 GGADMN C[C@@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)C1CCCC1 ZINC000171352281 1425633026 /nfs/dbraw/zinc/63/30/26/1425633026.db2.gz JVWMGBCZXUIUHW-WMZOPIPTSA-N 0 1 375.513 3.008 20 0 GGADMN C[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)C1CCCC1 ZINC000171352295 1425633081 /nfs/dbraw/zinc/63/30/81/1425633081.db2.gz JVWMGBCZXUIUHW-SJLPKXTDSA-N 0 1 375.513 3.008 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CSC[C@@H]2CCCCO2)N2CCCC2)c1 ZINC000171352364 1425633140 /nfs/dbraw/zinc/63/31/40/1425633140.db2.gz OMYKKSJGUUORFW-VQTJNVASSA-N 0 1 392.565 3.251 20 0 GGADMN FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826367409 1425634118 /nfs/dbraw/zinc/63/41/18/1425634118.db2.gz YFLWVLQFOPRURJ-HTQZYQBOSA-N 0 1 385.337 3.491 20 0 GGADMN CC1CCN(c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cn2)CC1 ZINC000171352765 1425634162 /nfs/dbraw/zinc/63/41/62/1425634162.db2.gz QAIMJRLRMDMHKW-LJQANCHMSA-N 0 1 382.508 3.478 20 0 GGADMN Cn1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)n1 ZINC000171357229 1425637526 /nfs/dbraw/zinc/63/75/26/1425637526.db2.gz BMXGTOKAXGPVHB-UHFFFAOYSA-N 0 1 390.852 3.127 20 0 GGADMN CSc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826230599 1425639100 /nfs/dbraw/zinc/63/91/00/1425639100.db2.gz AWIGNFKFIOTMLE-UHFFFAOYSA-N 0 1 391.504 3.279 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Oc3ccc(O[C@@H]4CCCCNC4=O)cc3)[nH]n2)o1 ZINC000171374932 1425647597 /nfs/dbraw/zinc/64/75/97/1425647597.db2.gz OUKGGHRVSRIQDY-LJQANCHMSA-N 0 1 395.415 3.245 20 0 GGADMN O=C(CN1CCC[C@@H](C2OCCO2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000171375385 1425647983 /nfs/dbraw/zinc/64/79/83/1425647983.db2.gz VCULYGDWXRJMPH-HXUWFJFHSA-N 0 1 380.488 3.305 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](C2OCCO2)C1)c1ccc(Cl)cc1Cl ZINC000171377315 1425649657 /nfs/dbraw/zinc/64/96/57/1425649657.db2.gz BTMPJNFYGYFOQA-OLZOCXBDSA-N 0 1 387.307 3.256 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cn2ccccc2n1 ZINC000171383842 1425652657 /nfs/dbraw/zinc/65/26/57/1425652657.db2.gz CYDQIEGEPLDKBP-KRWDZBQOSA-N 0 1 377.492 3.441 20 0 GGADMN Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000822558264 1425654664 /nfs/dbraw/zinc/65/46/64/1425654664.db2.gz NPWYFDZRGSDTSJ-NSHDSACASA-N 0 1 388.472 3.316 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000822558264 1425654673 /nfs/dbraw/zinc/65/46/73/1425654673.db2.gz NPWYFDZRGSDTSJ-NSHDSACASA-N 0 1 388.472 3.316 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000822558264 1425654694 /nfs/dbraw/zinc/65/46/94/1425654694.db2.gz NPWYFDZRGSDTSJ-NSHDSACASA-N 0 1 388.472 3.316 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)COc1ccc(C=O)cc1)N1CCCCC1 ZINC000171387419 1425654971 /nfs/dbraw/zinc/65/49/71/1425654971.db2.gz BRFLFVTUYVPJIF-OAQYLSRUSA-N 0 1 396.487 3.230 20 0 GGADMN Fc1ccccc1[C@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737666358 1425655072 /nfs/dbraw/zinc/65/50/72/1425655072.db2.gz WWZNQTAXOZBGAB-KRWDZBQOSA-N 0 1 389.438 3.316 20 0 GGADMN Fc1ccccc1[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737666358 1425655074 /nfs/dbraw/zinc/65/50/74/1425655074.db2.gz WWZNQTAXOZBGAB-KRWDZBQOSA-N 0 1 389.438 3.316 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)Nc3cccc(C(F)F)c3)cn2)CC1 ZINC000171390089 1425656342 /nfs/dbraw/zinc/65/63/42/1425656342.db2.gz NIZYUAZZPFMLHS-UHFFFAOYSA-N 0 1 375.423 3.093 20 0 GGADMN COc1ccccc1CN(CCO)Cc1ccc(OCc2nccn2C)cc1 ZINC000171389717 1425656470 /nfs/dbraw/zinc/65/64/70/1425656470.db2.gz XUDKNKHTMDJNFZ-UHFFFAOYSA-N 0 1 381.476 3.002 20 0 GGADMN C[C@H](CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)NC(=O)C1CCCC1 ZINC000171401185 1425663146 /nfs/dbraw/zinc/66/31/46/1425663146.db2.gz HLSNNYDUOZLRRD-FZKQIMNGSA-N 0 1 384.480 3.438 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000737031268 1425663572 /nfs/dbraw/zinc/66/35/72/1425663572.db2.gz DIZIOMURWGDQDF-UHFFFAOYSA-N 0 1 395.438 3.183 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000171402273 1425664062 /nfs/dbraw/zinc/66/40/62/1425664062.db2.gz RNGJTSVFUJWQKL-UHFFFAOYSA-N 0 1 380.822 3.391 20 0 GGADMN CCC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000171426369 1425673879 /nfs/dbraw/zinc/67/38/79/1425673879.db2.gz LCPMMFKLQPCKLJ-QGZVFWFLSA-N 0 1 396.516 3.037 20 0 GGADMN CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825307534 1425684531 /nfs/dbraw/zinc/68/45/31/1425684531.db2.gz CYJPTEQLRRGHDY-UHFFFAOYSA-N 0 1 390.900 3.432 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825307534 1425684535 /nfs/dbraw/zinc/68/45/35/1425684535.db2.gz CYJPTEQLRRGHDY-UHFFFAOYSA-N 0 1 390.900 3.432 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(-c4nnn[n-]4)ccc3F)C2)cc1 ZINC000737086569 1425685131 /nfs/dbraw/zinc/68/51/31/1425685131.db2.gz HOLNLHFTSKQGIU-MRXNPFEDSA-N 0 1 381.455 3.469 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@H+](Cc3cc(-c4nn[n-]n4)ccc3F)C2)cc1 ZINC000737086569 1425685135 /nfs/dbraw/zinc/68/51/35/1425685135.db2.gz HOLNLHFTSKQGIU-MRXNPFEDSA-N 0 1 381.455 3.469 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(-c4nn[n-]n4)ccc3F)C2)cc1 ZINC000737086569 1425685138 /nfs/dbraw/zinc/68/51/38/1425685138.db2.gz HOLNLHFTSKQGIU-MRXNPFEDSA-N 0 1 381.455 3.469 20 0 GGADMN O=C(NCCCc1ccccc1)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000171461815 1425689987 /nfs/dbraw/zinc/68/99/87/1425689987.db2.gz QVTRQXJBXSYCEU-IBGZPJMESA-N 0 1 392.459 3.102 20 0 GGADMN CCN(C)[C@@H](C(=O)NCCCc1cc(N)n(-c2ccccc2)n1)c1ccccc1 ZINC000171477113 1425697601 /nfs/dbraw/zinc/69/76/01/1425697601.db2.gz WLGDIGMDWXNRTG-JOCHJYFZSA-N 0 1 391.519 3.196 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)c1 ZINC000171511088 1425709635 /nfs/dbraw/zinc/70/96/35/1425709635.db2.gz VOIVWUKNWVXPRS-UHFFFAOYSA-N 0 1 396.369 3.343 20 0 GGADMN C[N@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(Cl)c(Cl)c1 ZINC000825965872 1425711808 /nfs/dbraw/zinc/71/18/08/1425711808.db2.gz GXVWLOPRQMOWJZ-UHFFFAOYSA-N 0 1 388.262 3.453 20 0 GGADMN C[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(Cl)c(Cl)c1 ZINC000825965872 1425711813 /nfs/dbraw/zinc/71/18/13/1425711813.db2.gz GXVWLOPRQMOWJZ-UHFFFAOYSA-N 0 1 388.262 3.453 20 0 GGADMN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cccc3cccnc32)c1 ZINC000171530471 1425719531 /nfs/dbraw/zinc/71/95/31/1425719531.db2.gz IWHQJDZHHHVGAE-UHFFFAOYSA-N 0 1 390.486 3.056 20 0 GGADMN C[C@@H]1SCC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820819981 1425720552 /nfs/dbraw/zinc/72/05/52/1425720552.db2.gz 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ZINC000171547021 1425728874 /nfs/dbraw/zinc/72/88/74/1425728874.db2.gz RYNOJTSAGIVBAC-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN c1cn(Cc2ccccc2)c(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000826521859 1425736085 /nfs/dbraw/zinc/73/60/85/1425736085.db2.gz BJJBIWVLFXCZFK-HXUWFJFHSA-N 0 1 385.475 3.279 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000171563163 1425737062 /nfs/dbraw/zinc/73/70/62/1425737062.db2.gz BJJLZSVBWNBQGY-IBGZPJMESA-N 0 1 387.455 3.356 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000171585408 1425746324 /nfs/dbraw/zinc/74/63/24/1425746324.db2.gz AUBIIXARNFRHBB-HKUYNNGSSA-N 0 1 375.513 3.043 20 0 GGADMN CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nccs1 ZINC000824235267 1425747805 /nfs/dbraw/zinc/74/78/05/1425747805.db2.gz DZXBKHFGJDEBFZ-IUODEOHRSA-N 0 1 385.497 3.027 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000171587462 1425748203 /nfs/dbraw/zinc/74/82/03/1425748203.db2.gz VMPHRAIXOWLDNZ-SJORKVTESA-N 0 1 381.561 3.403 20 0 GGADMN C[C@H](C1CC1)N(C(=O)CN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000171587702 1425748260 /nfs/dbraw/zinc/74/82/60/1425748260.db2.gz DKTBKXGMVHOFPY-JKSUJKDBSA-N 0 1 393.572 3.401 20 0 GGADMN C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587466 1425748437 /nfs/dbraw/zinc/74/84/37/1425748437.db2.gz VMPHRAIXOWLDNZ-DLBZAZTESA-N 0 1 381.561 3.403 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCc2ccccc2C1 ZINC000171593829 1425752663 /nfs/dbraw/zinc/75/26/63/1425752663.db2.gz SVHMLYSEBOOPFG-SFHVURJKSA-N 0 1 379.504 3.299 20 0 GGADMN COc1ccc(CCNC(=O)[C@H](C)N2CCCc3ccccc3C2)cc1OC ZINC000171592963 1425752709 /nfs/dbraw/zinc/75/27/09/1425752709.db2.gz PZOKCOGSNZODRN-KRWDZBQOSA-N 0 1 382.504 3.199 20 0 GGADMN COc1ccnc(N2CCN(C(=O)NCc3oc4ccc(F)cc4c3C)CC2)c1 ZINC000171592405 1425752793 /nfs/dbraw/zinc/75/27/93/1425752793.db2.gz YWRONPGOOCOHJD-UHFFFAOYSA-N 0 1 398.438 3.316 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000171592676 1425752826 /nfs/dbraw/zinc/75/28/26/1425752826.db2.gz SENYKOKBFCWCKX-OAQYLSRUSA-N 0 1 393.535 3.174 20 0 GGADMN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1nnc2ccccn21 ZINC000171599343 1425755113 /nfs/dbraw/zinc/75/51/13/1425755113.db2.gz VAYYDCWWNCJBGT-QGZVFWFLSA-N 0 1 392.507 3.096 20 0 GGADMN O[C@H](CN1CCC[C@H](c2nnc3n2CCC3)C1)c1ccccc1C(F)(F)F ZINC000171619081 1425759598 /nfs/dbraw/zinc/75/95/98/1425759598.db2.gz COQHTXJULQRHOT-XJKSGUPXSA-N 0 1 380.414 3.156 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3nccs3)c2C1 ZINC000171622006 1425761319 /nfs/dbraw/zinc/76/13/19/1425761319.db2.gz FGVSWWJJVWJRGZ-UONOGXRCSA-N 0 1 386.521 3.319 20 0 GGADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171622400 1425761523 /nfs/dbraw/zinc/76/15/23/1425761523.db2.gz ZCQMWPZIHLKTTN-IBGZPJMESA-N 0 1 395.551 3.231 20 0 GGADMN O=C(CN(CC(F)F)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000171630757 1425765142 /nfs/dbraw/zinc/76/51/42/1425765142.db2.gz UVOAFECUEWLYDI-QGZVFWFLSA-N 0 1 385.886 3.323 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[N@H+](C)Cc1ccccc1 ZINC000735570650 1425766460 /nfs/dbraw/zinc/76/64/60/1425766460.db2.gz OQJXYBUISHXZEQ-ZDUSSCGKSA-N 0 1 396.520 3.266 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000735570650 1425766464 /nfs/dbraw/zinc/76/64/64/1425766464.db2.gz OQJXYBUISHXZEQ-ZDUSSCGKSA-N 0 1 396.520 3.266 20 0 GGADMN Cc1cccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1C ZINC000826298084 1425769944 /nfs/dbraw/zinc/76/99/44/1425769944.db2.gz CSSRRLMRBQEMPC-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826298084 1425769947 /nfs/dbraw/zinc/76/99/47/1425769947.db2.gz CSSRRLMRBQEMPC-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cccc(C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826298084 1425769954 /nfs/dbraw/zinc/76/99/54/1425769954.db2.gz CSSRRLMRBQEMPC-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cccc(CN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826298084 1425769959 /nfs/dbraw/zinc/76/99/59/1425769959.db2.gz CSSRRLMRBQEMPC-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826298084 1425769962 /nfs/dbraw/zinc/76/99/62/1425769962.db2.gz CSSRRLMRBQEMPC-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCN(C)c1ccccc1 ZINC000171648647 1425771870 /nfs/dbraw/zinc/77/18/70/1425771870.db2.gz MMWOFCHJEIUBIJ-UHFFFAOYSA-N 0 1 395.551 3.347 20 0 GGADMN c1ccc(OCCCC[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826522518 1425771851 /nfs/dbraw/zinc/77/18/51/1425771851.db2.gz DWMGBUBOSRJMDK-HXUWFJFHSA-N 0 1 379.464 3.099 20 0 GGADMN COCc1cc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000171678686 1425786207 /nfs/dbraw/zinc/78/62/07/1425786207.db2.gz VENFSDZENBMDSO-IBGZPJMESA-N 0 1 377.435 3.213 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1ccc(F)c(COC)c1)c1ccco1 ZINC000171684015 1425788238 /nfs/dbraw/zinc/78/82/38/1425788238.db2.gz OWUBDWIZHMLFHW-GOSISDBHSA-N 0 1 377.460 3.447 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000171695969 1425792352 /nfs/dbraw/zinc/79/23/52/1425792352.db2.gz BWQAJMCDEHFNBJ-FLZHYZPUSA-N 0 1 388.600 3.013 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000171716412 1425801603 /nfs/dbraw/zinc/80/16/03/1425801603.db2.gz BUJDROUVZPCMFU-WOJBJXKFSA-N 0 1 394.563 3.142 20 0 GGADMN c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520844 1425802329 /nfs/dbraw/zinc/80/23/29/1425802329.db2.gz SLZHZRWTVQBYRJ-UZLBHIALSA-N 0 1 379.464 3.003 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC[C@H]1CCCOC1 ZINC000171720843 1425803435 /nfs/dbraw/zinc/80/34/35/1425803435.db2.gz CPUCXOYOMRTUKS-QGZVFWFLSA-N 0 1 379.932 3.278 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824104374 1425803561 /nfs/dbraw/zinc/80/35/61/1425803561.db2.gz QLFDJRBNZOPMBI-AEFFLSMTSA-N 0 1 398.511 3.233 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139095463 1425807681 /nfs/dbraw/zinc/80/76/81/1425807681.db2.gz WWPVZKZDWDGKER-UXHICEINSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139095463 1425807688 /nfs/dbraw/zinc/80/76/88/1425807688.db2.gz WWPVZKZDWDGKER-UXHICEINSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139095463 1425807692 /nfs/dbraw/zinc/80/76/92/1425807692.db2.gz WWPVZKZDWDGKER-UXHICEINSA-N 0 1 391.475 3.178 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000171750564 1425810793 /nfs/dbraw/zinc/81/07/93/1425810793.db2.gz PNFNGRGVTSXZLO-MRXNPFEDSA-N 0 1 376.570 3.479 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000171750077 1425810894 /nfs/dbraw/zinc/81/08/94/1425810894.db2.gz DXCXWFLPLUFUNV-RDTXWAMCSA-N 0 1 399.366 3.476 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000171749599 1425810981 /nfs/dbraw/zinc/81/09/81/1425810981.db2.gz CGLUINBXIVVCLG-SFHVURJKSA-N 0 1 382.508 3.023 20 0 GGADMN COc1ccc(NC(=O)N[C@H](C)CN2CCN(C)CC2)cc1Cc1ccccc1 ZINC000171750678 1425811055 /nfs/dbraw/zinc/81/10/55/1425811055.db2.gz RKJVPMJCSKDFKB-GOSISDBHSA-N 0 1 396.535 3.043 20 0 GGADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000171752807 1425811985 /nfs/dbraw/zinc/81/19/85/1425811985.db2.gz VEWWTTMTRXEIOP-UHFFFAOYSA-N 0 1 388.489 3.294 20 0 GGADMN COc1cccc(C2CCN([C@@H]3CC(=O)N([C@H](C)c4cccnc4)C3=O)CC2)c1 ZINC000171756175 1425812497 /nfs/dbraw/zinc/81/24/97/1425812497.db2.gz HZAIFVDBAKAIGA-IIBYNOLFSA-N 0 1 393.487 3.158 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554546 1425814244 /nfs/dbraw/zinc/81/42/44/1425814244.db2.gz QHJMNWGTHNJYKJ-OCCSQVGLSA-N 0 1 383.475 3.165 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)o2)c(C)c1 ZINC000171771857 1425816493 /nfs/dbraw/zinc/81/64/93/1425816493.db2.gz DDCJGAXEXPANPF-UHFFFAOYSA-N 0 1 375.450 3.341 20 0 GGADMN O=C1CCCN1Cc1ccccc1CN[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000171781785 1425818998 /nfs/dbraw/zinc/81/89/98/1425818998.db2.gz MKAVTBKCANVJDB-LJQANCHMSA-N 0 1 397.906 3.358 20 0 GGADMN CC(C)n1cnnc1CNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000171804496 1425824831 /nfs/dbraw/zinc/82/48/31/1425824831.db2.gz RIJUHWFGBIEFSK-UHFFFAOYSA-N 0 1 377.492 3.421 20 0 GGADMN COc1ccccc1-c1cc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000826217805 1425825296 /nfs/dbraw/zinc/82/52/96/1425825296.db2.gz CQQMHTUXWSHJQP-CYBMUJFWSA-N 0 1 376.420 3.381 20 0 GGADMN C[C@@H]1SCC[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736305013 1425829656 /nfs/dbraw/zinc/82/96/56/1425829656.db2.gz WPHJHKOPBMWWGV-HNAYVOBHSA-N 0 1 381.505 3.424 20 0 GGADMN Cc1ccc(C2(C(=O)NCCN3CCc4ccccc4C3)CCOCC2)cc1 ZINC000171836194 1425832329 /nfs/dbraw/zinc/83/23/29/1425832329.db2.gz RQJXDNXQJNMTLR-UHFFFAOYSA-N 0 1 378.516 3.218 20 0 GGADMN CC(C)C[C@H](NC(=O)c1nnc2ccccc2c1O)c1nc2ccccc2[nH]1 ZINC000171860064 1425837121 /nfs/dbraw/zinc/83/71/21/1425837121.db2.gz QKFKSDHVRGCQHE-KRWDZBQOSA-N 0 1 375.432 3.317 20 0 GGADMN CC(C)C[C@@H](NC(=O)c1nnc2ccccc2c1O)c1nc2ccccc2[nH]1 ZINC000171860066 1425837316 /nfs/dbraw/zinc/83/73/16/1425837316.db2.gz QKFKSDHVRGCQHE-QGZVFWFLSA-N 0 1 375.432 3.317 20 0 GGADMN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2nnc3ccccc3c2O)CC1 ZINC000171865569 1425838574 /nfs/dbraw/zinc/83/85/74/1425838574.db2.gz KMKNWLOKMFTXSX-UHFFFAOYSA-N 0 1 395.846 3.312 20 0 GGADMN COC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(F)c1 ZINC000171894667 1425846209 /nfs/dbraw/zinc/84/62/09/1425846209.db2.gz DCKYXIBCCULJDQ-QGZVFWFLSA-N 0 1 377.391 3.176 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCc3nccc4ccccc43)n2)cc1 ZINC000171902217 1425847772 /nfs/dbraw/zinc/84/77/72/1425847772.db2.gz ZHZXJPSZODQVMZ-UHFFFAOYSA-N 0 1 388.431 3.028 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCc3nccc4ccccc43)n[nH]2)cc1 ZINC000171902217 1425847776 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389.540 3.236 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000171944244 1425858626 /nfs/dbraw/zinc/85/86/26/1425858626.db2.gz CQHGCUPMAFBWBP-HXUWFJFHSA-N 0 1 381.948 3.258 20 0 GGADMN COCCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000171946871 1425859113 /nfs/dbraw/zinc/85/91/13/1425859113.db2.gz WFLRFBIIEUGWCZ-JOCHJYFZSA-N 0 1 398.503 3.287 20 0 GGADMN COCCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000171946597 1425859235 /nfs/dbraw/zinc/85/92/35/1425859235.db2.gz KUNLIQXQOQJKPL-OAQYLSRUSA-N 0 1 398.503 3.287 20 0 GGADMN COCCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000171946592 1425859306 /nfs/dbraw/zinc/85/93/06/1425859306.db2.gz KUNLIQXQOQJKPL-NRFANRHFSA-N 0 1 398.503 3.287 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000171951893 1425859742 /nfs/dbraw/zinc/85/97/42/1425859742.db2.gz MYUBJAKQCMWQLY-LPHOPBHVSA-N 0 1 387.524 3.417 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)C[C@H](C)CC ZINC000171948795 1425859922 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GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000826181746 1425872127 /nfs/dbraw/zinc/87/21/27/1425872127.db2.gz MKIFUSOCSCXGBI-IBGZPJMESA-N 0 1 399.470 3.206 20 0 GGADMN O=C(NCCc1ccc2c(c1)CCO2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000172025785 1425876828 /nfs/dbraw/zinc/87/68/28/1425876828.db2.gz LGBNQQZVZXTFNV-UHFFFAOYSA-N 0 1 397.494 3.267 20 0 GGADMN Cc1cc(CNC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000172029923 1425878145 /nfs/dbraw/zinc/87/81/45/1425878145.db2.gz GSNHYGMGVSRBTM-HNNXBMFYSA-N 0 1 382.386 3.076 20 0 GGADMN Cc1cc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000172029920 1425878248 /nfs/dbraw/zinc/87/82/48/1425878248.db2.gz GSNHYGMGVSRBTM-OAHLLOKOSA-N 0 1 382.386 3.076 20 0 GGADMN COc1ccc(CN2CC[C@H](NCc3ccc4c(c3)CC(C)(C)O4)C2=O)cc1 ZINC000172038638 1425880196 /nfs/dbraw/zinc/88/01/96/1425880196.db2.gz KPZAWXDMOCQETI-FQEVSTJZSA-N 0 1 380.488 3.299 20 0 GGADMN O=C(NCCc1ccc2c(c1)CCO2)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000172065192 1425887586 /nfs/dbraw/zinc/88/75/86/1425887586.db2.gz MGTXPXCNFAFTIH-IBGZPJMESA-N 0 1 383.492 3.283 20 0 GGADMN CN(C(=O)NC1CCN(Cc2ccncc2)CC1)[C@H]1CCc2ccccc2C1 ZINC000172070653 1425888463 /nfs/dbraw/zinc/88/84/63/1425888463.db2.gz CNJHDHZGRWDBHS-QFIPXVFZSA-N 0 1 378.520 3.245 20 0 GGADMN O=C(NCc1cccc(O)c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172071321 1425888992 /nfs/dbraw/zinc/88/89/92/1425888992.db2.gz WDUNIJGBDKXQPA-QGZVFWFLSA-N 0 1 393.409 3.485 20 0 GGADMN O=C(NCc1cccc(O)c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172071325 1425889154 /nfs/dbraw/zinc/88/91/54/1425889154.db2.gz WDUNIJGBDKXQPA-KRWDZBQOSA-N 0 1 393.409 3.485 20 0 GGADMN CN(CCc1ccc(Cl)cc1)CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000172078473 1425890813 /nfs/dbraw/zinc/89/08/13/1425890813.db2.gz LLVJRGDUQKXSGJ-UHFFFAOYSA-N 0 1 399.922 3.258 20 0 GGADMN CO[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000172079269 1425891285 /nfs/dbraw/zinc/89/12/85/1425891285.db2.gz VYICRWZUYCRIHG-DLBZAZTESA-N 0 1 385.430 3.100 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000172079296 1425891316 /nfs/dbraw/zinc/89/13/16/1425891316.db2.gz LLBMACLTPNQQSU-YOEHRIQHSA-N 0 1 385.430 3.100 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172079105 1425891366 /nfs/dbraw/zinc/89/13/66/1425891366.db2.gz KXGBJSGFRYAGEY-MSOLQXFVSA-N 0 1 399.457 3.490 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172079111 1425891394 /nfs/dbraw/zinc/89/13/94/1425891394.db2.gz KXGBJSGFRYAGEY-QZTJIDSGSA-N 0 1 399.457 3.490 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)CN(C)CCc2ccc(Cl)cc2)cc1 ZINC000172079647 1425891793 /nfs/dbraw/zinc/89/17/93/1425891793.db2.gz PNEOBDOCLNDRJL-UHFFFAOYSA-N 0 1 389.883 3.309 20 0 GGADMN CN(C)C(=O)[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000172089205 1425894571 /nfs/dbraw/zinc/89/45/71/1425894571.db2.gz KWJXMFOCONBUCD-SFHVURJKSA-N 0 1 384.867 3.352 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cnc(C)nc2C(C)C)N2CCCC2)cc1 ZINC000172096943 1425895566 /nfs/dbraw/zinc/89/55/66/1425895566.db2.gz JQPRAFGIIJKSLH-FQEVSTJZSA-N 0 1 382.508 3.484 20 0 GGADMN CC(C)COc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cn1 ZINC000172106063 1425897251 /nfs/dbraw/zinc/89/72/51/1425897251.db2.gz JCNJLXVLVBRJLX-UHFFFAOYSA-N 0 1 383.496 3.298 20 0 GGADMN CC(C)C[C@H](C(=O)Nc1cccc(Cl)c1O)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000172109209 1425898186 /nfs/dbraw/zinc/89/81/86/1425898186.db2.gz PSKVKGMWRJDOSF-HEHGZKQESA-N 0 1 390.867 3.350 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000172108634 1425898229 /nfs/dbraw/zinc/89/82/29/1425898229.db2.gz LSLHOEOLDUPVKH-UHFFFAOYSA-N 0 1 389.260 3.202 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824613913 1425898728 /nfs/dbraw/zinc/89/87/28/1425898728.db2.gz YITMGZXPDFMJOY-RHSMWYFYSA-N 0 1 386.500 3.134 20 0 GGADMN Cc1ccc(OCc2nc(CNC[C@H]3CN(CC(C)C)CCO3)cs2)cc1 ZINC000172112279 1425899274 /nfs/dbraw/zinc/89/92/74/1425899274.db2.gz SGIRTXPRRICVBR-FQEVSTJZSA-N 0 1 389.565 3.477 20 0 GGADMN CC(=O)c1cccc(OCCCC(=O)NC2CCN(Cc3cccnc3)CC2)c1 ZINC000172115455 1425901035 /nfs/dbraw/zinc/90/10/35/1425901035.db2.gz UUGRTRUYBKDAKF-UHFFFAOYSA-N 0 1 395.503 3.224 20 0 GGADMN COc1ccc(OCc2nc(CNCCc3cccc(C(N)=O)c3)cs2)cc1 ZINC000172119545 1425903927 /nfs/dbraw/zinc/90/39/27/1425903927.db2.gz LMKAJIBNVZFOCU-UHFFFAOYSA-N 0 1 397.500 3.162 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)CS(C)(=O)=O)cc1 ZINC000172122101 1425904174 /nfs/dbraw/zinc/90/41/74/1425904174.db2.gz HSTQUEWKJXEXQU-MRXNPFEDSA-N 0 1 399.516 3.071 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820761329 1425904962 /nfs/dbraw/zinc/90/49/62/1425904962.db2.gz XDSRBDUDJDTOGT-CXAGYDPISA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820761329 1425904968 /nfs/dbraw/zinc/90/49/68/1425904968.db2.gz XDSRBDUDJDTOGT-CXAGYDPISA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820761329 1425904969 /nfs/dbraw/zinc/90/49/69/1425904969.db2.gz XDSRBDUDJDTOGT-CXAGYDPISA-N 0 1 383.887 3.238 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnc(C)nc2C(C)C)N2CCCC2)c1 ZINC000172125471 1425906426 /nfs/dbraw/zinc/90/64/26/1425906426.db2.gz RSLATAZCJDHQFF-FQEVSTJZSA-N 0 1 382.508 3.484 20 0 GGADMN Cc1ncc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(C(C)C)n1 ZINC000172129953 1425908557 /nfs/dbraw/zinc/90/85/57/1425908557.db2.gz CZBCCBHEDONMCX-IRXDYDNUSA-N 0 1 396.535 3.448 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737336653 1425909740 /nfs/dbraw/zinc/90/97/40/1425909740.db2.gz ZXSBBHXMPPMZHT-CQSZACIVSA-N 0 1 384.509 3.128 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737336653 1425909744 /nfs/dbraw/zinc/90/97/44/1425909744.db2.gz ZXSBBHXMPPMZHT-CQSZACIVSA-N 0 1 384.509 3.128 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737336653 1425909749 /nfs/dbraw/zinc/90/97/49/1425909749.db2.gz ZXSBBHXMPPMZHT-CQSZACIVSA-N 0 1 384.509 3.128 20 0 GGADMN c1cc(OCCC[NH+]2CCC(OC3CCCCC3)CC2)cc(-c2nn[n-]n2)c1 ZINC000823762394 1425920735 /nfs/dbraw/zinc/92/07/35/1425920735.db2.gz NVRJQIGLGXJGMQ-UHFFFAOYSA-N 0 1 385.512 3.449 20 0 GGADMN C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824607320 1425920829 /nfs/dbraw/zinc/92/08/29/1425920829.db2.gz XEIXXPBQTVSIFG-LBPRGKRZSA-N 0 1 385.855 3.185 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820705933 1425922828 /nfs/dbraw/zinc/92/28/28/1425922828.db2.gz WZIYJZGAUPRHFK-OALUTQOASA-N 0 1 398.555 3.222 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820705933 1425922830 /nfs/dbraw/zinc/92/28/30/1425922830.db2.gz WZIYJZGAUPRHFK-OALUTQOASA-N 0 1 398.555 3.222 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820705933 1425922832 /nfs/dbraw/zinc/92/28/32/1425922832.db2.gz WZIYJZGAUPRHFK-OALUTQOASA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413498 1425925404 /nfs/dbraw/zinc/92/54/04/1425925404.db2.gz RAQZEEXGWYJSCN-KGLIPLIRSA-N 0 1 378.436 3.235 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](C)Oc1ccccc1 ZINC000172175200 1425934108 /nfs/dbraw/zinc/93/41/08/1425934108.db2.gz VVONJXFQRABDSO-GOSISDBHSA-N 0 1 382.508 3.336 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc2c([nH]c1=O)CCCC2 ZINC000172175947 1425934769 /nfs/dbraw/zinc/93/47/69/1425934769.db2.gz YFKCIFMWFQQYAW-UHFFFAOYSA-N 0 1 385.427 3.444 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccnc(-n2ccnc2)c1 ZINC000172176276 1425934921 /nfs/dbraw/zinc/93/49/21/1425934921.db2.gz BINONOJJZRMMOJ-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172176576 1425935061 /nfs/dbraw/zinc/93/50/61/1425935061.db2.gz LAPDPRSBAPXZGQ-UHFFFAOYSA-N 0 1 386.371 3.015 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)ccc1OC(F)F ZINC000172184719 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GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1ccc(OCC2CC2)cc1 ZINC000172227940 1425955576 /nfs/dbraw/zinc/95/55/76/1425955576.db2.gz JUGZLNVUKZGZKG-OAQYLSRUSA-N 0 1 395.503 3.016 20 0 GGADMN Nc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc(Cl)n1 ZINC000172230086 1425956965 /nfs/dbraw/zinc/95/69/65/1425956965.db2.gz VDKXUVDCKJGTJK-CQSZACIVSA-N 0 1 398.816 3.340 20 0 GGADMN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccc2ncsc2c1 ZINC000172237875 1425960569 /nfs/dbraw/zinc/96/05/69/1425960569.db2.gz PETWYHVCJWBJTQ-QGZVFWFLSA-N 0 1 394.500 3.016 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc4ncsc4c3)n2)cc1 ZINC000172242922 1425962850 /nfs/dbraw/zinc/96/28/50/1425962850.db2.gz UCSNWSKZOIZQLM-UHFFFAOYSA-N 0 1 380.433 3.412 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc4ncsc4c3)n[nH]2)cc1 ZINC000172242922 1425962857 /nfs/dbraw/zinc/96/28/57/1425962857.db2.gz UCSNWSKZOIZQLM-UHFFFAOYSA-N 0 1 380.433 3.412 20 0 GGADMN Cc1nc(-c2ccco2)ccc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172244532 1425963350 /nfs/dbraw/zinc/96/33/50/1425963350.db2.gz SITDCIFGSQBTCC-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN O=C(Cn1ccc2ccc(Cl)cc21)NC1CCN(Cc2cccnc2)CC1 ZINC000172245041 1425963510 /nfs/dbraw/zinc/96/35/10/1425963510.db2.gz SDRBLCVSMHLXAF-UHFFFAOYSA-N 0 1 382.895 3.471 20 0 GGADMN CCCOc1ccc(OCC(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000172243430 1425963624 /nfs/dbraw/zinc/96/36/24/1425963624.db2.gz XHHIOCIEXNQNKU-UHFFFAOYSA-N 0 1 383.492 3.030 20 0 GGADMN CCOc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1OCC ZINC000172246383 1425964309 /nfs/dbraw/zinc/96/43/09/1425964309.db2.gz PMNRQDAFJXFCHE-UHFFFAOYSA-N 0 1 383.492 3.273 20 0 GGADMN Cc1oc(-c2cccs2)nc1CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172246029 1425964326 /nfs/dbraw/zinc/96/43/26/1425964326.db2.gz AQDLIRMOOITQMI-UHFFFAOYSA-N 0 1 396.516 3.430 20 0 GGADMN COc1ccc([C@@H]2CCCN2CCn2cnc3ccccc3c2=O)cc1OC ZINC000172249130 1425965923 /nfs/dbraw/zinc/96/59/23/1425965923.db2.gz ZGBGFBNLSDKQIC-IBGZPJMESA-N 0 1 379.460 3.251 20 0 GGADMN O=c1c2ccccc2ncn1CCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000172248430 1425966169 /nfs/dbraw/zinc/96/61/69/1425966169.db2.gz RUCOSXRTSLCQRP-NRFANRHFSA-N 0 1 397.906 3.496 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)N(C)C)cc1 ZINC000172286567 1425981238 /nfs/dbraw/zinc/98/12/38/1425981238.db2.gz FVRLENUJNBNYTM-NRFANRHFSA-N 0 1 395.503 3.141 20 0 GGADMN CC(C)[C@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)N1CCCC1=O ZINC000172295470 1425985207 /nfs/dbraw/zinc/98/52/07/1425985207.db2.gz BSYNHIZHQXHCNP-LJQANCHMSA-N 0 1 377.448 3.210 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)N2CCCC2)cc1 ZINC000172297197 1425985743 /nfs/dbraw/zinc/98/57/43/1425985743.db2.gz RJWHCRZCQOESOH-NQIIRXRSSA-N 0 1 397.523 3.144 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000172299640 1425987020 /nfs/dbraw/zinc/98/70/20/1425987020.db2.gz PGKOZBROSBXXMI-GOSISDBHSA-N 0 1 389.496 3.295 20 0 GGADMN C[C@@H](CCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)NC(=O)OC(C)(C)C ZINC000172301139 1425987791 /nfs/dbraw/zinc/98/77/91/1425987791.db2.gz IWXUAJTWXBOEIU-YOEHRIQHSA-N 0 1 396.507 3.031 20 0 GGADMN O=C(NCCN1CCCC1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000172305317 1425988992 /nfs/dbraw/zinc/98/89/92/1425988992.db2.gz FHDDSINHXFPZMQ-UHFFFAOYSA-N 0 1 387.867 3.283 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001139091494 1425996781 /nfs/dbraw/zinc/99/67/81/1425996781.db2.gz DAMASPPOTDZPFI-RBBKRZOGSA-N 0 1 397.523 3.197 20 0 GGADMN CC(C)(C)C[C@H](O)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000172323088 1425998380 /nfs/dbraw/zinc/99/83/80/1425998380.db2.gz AQZYMKBRNHZDIX-SFHVURJKSA-N 0 1 381.948 3.401 20 0 GGADMN O=S(=O)(NC1(c2ccc(F)cc2)CCOCC1)c1c(F)cc(F)cc1F ZINC000172333025 1426003652 /nfs/dbraw/zinc/00/36/52/1426003652.db2.gz LJSVCLFBOHBZSY-UHFFFAOYSA-N 0 1 389.370 3.227 20 0 GGADMN O=C(Nc1ccccc1OC(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000172333885 1426003782 /nfs/dbraw/zinc/00/37/82/1426003782.db2.gz WCWZKBOLHGIIES-AWEZNQCLSA-N 0 1 387.402 3.161 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000821787144 1426004517 /nfs/dbraw/zinc/00/45/17/1426004517.db2.gz OXFSGYKZPWWYSA-GOSISDBHSA-N 0 1 395.463 3.230 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 ZINC000172337715 1426006294 /nfs/dbraw/zinc/00/62/94/1426006294.db2.gz NNFWVQCZZFEOFJ-UHFFFAOYSA-N 0 1 386.540 3.427 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CNCc1cc2ccccc2[nH]c1=O ZINC000172339811 1426006845 /nfs/dbraw/zinc/00/68/45/1426006845.db2.gz HMRYXXZMUHVJKR-UHFFFAOYSA-N 0 1 399.516 3.058 20 0 GGADMN CCCN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000172348618 1426011573 /nfs/dbraw/zinc/01/15/73/1426011573.db2.gz GXHCZQXXKUKNRM-NRFANRHFSA-N 0 1 395.503 3.208 20 0 GGADMN Cc1cccnc1[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(C)C ZINC000172349733 1426011743 /nfs/dbraw/zinc/01/17/43/1426011743.db2.gz QGGSAFZUWKHGAS-FPOVZHCZSA-N 0 1 380.536 3.414 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000172356403 1426013730 /nfs/dbraw/zinc/01/37/30/1426013730.db2.gz RXUQOWXNQJWWAP-UHFFFAOYSA-N 0 1 383.717 3.292 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2cccc(Cl)c2O)cc1C ZINC000172357640 1426014271 /nfs/dbraw/zinc/01/42/71/1426014271.db2.gz KHPDZRZJKODLNN-UHFFFAOYSA-N 0 1 396.896 3.360 20 0 GGADMN O=S(=O)(C[C@H]1CCCO1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000172365949 1426015256 /nfs/dbraw/zinc/01/52/56/1426015256.db2.gz UMEGBEHAMAEUNV-OAHLLOKOSA-N 0 1 375.425 3.290 20 0 GGADMN O=C(c1cc(Cc2ccccc2)ccc1O)N1CCN(CC2CCOCC2)CC1 ZINC000172365729 1426015703 /nfs/dbraw/zinc/01/57/03/1426015703.db2.gz JQDJNZMDQRULQV-UHFFFAOYSA-N 0 1 394.515 3.167 20 0 GGADMN O=C(Nc1ccn(Cc2ccncc2)n1)N1CCCN(Cc2ccccc2)CC1 ZINC000172368923 1426017095 /nfs/dbraw/zinc/01/70/95/1426017095.db2.gz COIRNYBFTSMSHD-UHFFFAOYSA-N 0 1 390.491 3.066 20 0 GGADMN O=C(NCCc1cc2ccccc2o1)NC1CCN(Cc2ccncc2)CC1 ZINC000172372097 1426017703 /nfs/dbraw/zinc/01/77/03/1426017703.db2.gz BMEBWHWTLURLQR-UHFFFAOYSA-N 0 1 378.476 3.334 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4cccc(-c5nnn[n-]5)c4)C3)n2)cc1 ZINC000826519116 1426022755 /nfs/dbraw/zinc/02/27/55/1426022755.db2.gz KVVXVVQGHCPSGU-GOSISDBHSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4cccc(-c5nn[n-]n5)c4)C3)n2)cc1 ZINC000826519116 1426022760 /nfs/dbraw/zinc/02/27/60/1426022760.db2.gz KVVXVVQGHCPSGU-GOSISDBHSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4cccc(-c5nn[n-]n5)c4)C3)n2)cc1 ZINC000826519116 1426022769 /nfs/dbraw/zinc/02/27/69/1426022769.db2.gz KVVXVVQGHCPSGU-GOSISDBHSA-N 0 1 386.463 3.031 20 0 GGADMN Cc1ccc(C(=O)NC2CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)s1 ZINC000172386834 1426023249 /nfs/dbraw/zinc/02/32/49/1426023249.db2.gz WWBBWJWJARHNRI-GOSISDBHSA-N 0 1 399.516 3.276 20 0 GGADMN O=S1(=O)CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000172389829 1426024121 /nfs/dbraw/zinc/02/41/21/1426024121.db2.gz MVPFKVMAFXFIPZ-LJQANCHMSA-N 0 1 399.491 3.345 20 0 GGADMN O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823188009 1426025221 /nfs/dbraw/zinc/02/52/21/1426025221.db2.gz SBSUPRLMQKESLT-UHFFFAOYSA-N 0 1 391.907 3.298 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000172394434 1426025189 /nfs/dbraw/zinc/02/51/89/1426025189.db2.gz UQZRAHPOJACJAG-MRXNPFEDSA-N 0 1 386.473 3.335 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000172393142 1426025227 /nfs/dbraw/zinc/02/52/27/1426025227.db2.gz HMJXUAIMWYEIHV-WMZOPIPTSA-N 0 1 386.496 3.059 20 0 GGADMN CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000821040670 1426030822 /nfs/dbraw/zinc/03/08/22/1426030822.db2.gz OZUVVJBEPSSCDB-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172413607 1426031026 /nfs/dbraw/zinc/03/10/26/1426031026.db2.gz ODOSFGQCTPGHKM-UHFFFAOYSA-N 0 1 389.393 3.421 20 0 GGADMN Cc1cc(CN2CCc3c(cccc3NS(C)(=O)=O)C2)c2ccccc2n1 ZINC000172416114 1426033339 /nfs/dbraw/zinc/03/33/39/1426033339.db2.gz IYIQIMRBZNHDIX-UHFFFAOYSA-N 0 1 381.501 3.473 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172418487 1426034776 /nfs/dbraw/zinc/03/47/76/1426034776.db2.gz QVZUFDXHTFLMIR-MRXNPFEDSA-N 0 1 398.469 3.455 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172420658 1426036235 /nfs/dbraw/zinc/03/62/35/1426036235.db2.gz GVFHLCKKIASPOV-UHFFFAOYSA-N 0 1 399.564 3.393 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172420658 1426036244 /nfs/dbraw/zinc/03/62/44/1426036244.db2.gz GVFHLCKKIASPOV-UHFFFAOYSA-N 0 1 399.564 3.393 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCCC2=CC3CC(CN4CCCCC34)C21 ZINC001139094848 1426048505 /nfs/dbraw/zinc/04/85/05/1426048505.db2.gz JMEYILSVTGWNQU-DXBBTUNJSA-N 0 1 390.535 3.262 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCC2=CC3CC(CN4CCCCC34)C21 ZINC001139094848 1426048510 /nfs/dbraw/zinc/04/85/10/1426048510.db2.gz JMEYILSVTGWNQU-DXBBTUNJSA-N 0 1 390.535 3.262 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172458870 1426048530 /nfs/dbraw/zinc/04/85/30/1426048530.db2.gz PGNNFENRTPQQLG-ZWKOTPCHSA-N 0 1 396.453 3.380 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC001139094848 1426048537 /nfs/dbraw/zinc/04/85/37/1426048537.db2.gz JMEYILSVTGWNQU-DXBBTUNJSA-N 0 1 390.535 3.262 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC001139094848 1426048542 /nfs/dbraw/zinc/04/85/42/1426048542.db2.gz JMEYILSVTGWNQU-DXBBTUNJSA-N 0 1 390.535 3.262 20 0 GGADMN O=C([C@H](Oc1ccccc1)c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000172462653 1426050366 /nfs/dbraw/zinc/05/03/66/1426050366.db2.gz AHLKSQNJHCAZIZ-HSZRJFAPSA-N 0 1 394.515 3.378 20 0 GGADMN O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172462756 1426050914 /nfs/dbraw/zinc/05/09/14/1426050914.db2.gz YUSQYKPWSSQXQQ-OALUTQOASA-N 0 1 396.453 3.380 20 0 GGADMN C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736134473 1426053465 /nfs/dbraw/zinc/05/34/65/1426053465.db2.gz VINKHDLQTXWMJQ-AWEZNQCLSA-N 0 1 379.468 3.118 20 0 GGADMN O=C(Nc1ncc(-c2ccccc2)s1)N1CCN(CC2CCOCC2)CC1 ZINC000172480174 1426055261 /nfs/dbraw/zinc/05/52/61/1426055261.db2.gz UPGCOQOQBKSFSC-UHFFFAOYSA-N 0 1 386.521 3.386 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCS[C@H](C)[C@H]3C)c2C1 ZINC000172485231 1426056570 /nfs/dbraw/zinc/05/65/70/1426056570.db2.gz ZJZXOVRJBIFACA-ARFHVFGLSA-N 0 1 389.565 3.338 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(Cl)nc1Cl ZINC000172489196 1426057881 /nfs/dbraw/zinc/05/78/81/1426057881.db2.gz RWFYWGXQCIYULJ-GFCCVEGCSA-N 0 1 389.260 3.357 20 0 GGADMN CCCc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000172524546 1426070763 /nfs/dbraw/zinc/07/07/63/1426070763.db2.gz VXHFZRCRDBQJMW-UHFFFAOYSA-N 0 1 376.504 3.193 20 0 GGADMN CC(C)N(C(=O)CN1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000172557461 1426086744 /nfs/dbraw/zinc/08/67/44/1426086744.db2.gz SWDUAKZVTBXHGX-GOSISDBHSA-N 0 1 377.492 3.350 20 0 GGADMN Clc1nsc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000737583915 1426087890 /nfs/dbraw/zinc/08/78/90/1426087890.db2.gz NZYGQGPNMXOFGB-GFCCVEGCSA-N 0 1 375.889 3.053 20 0 GGADMN Clc1nsc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000737583915 1426087896 /nfs/dbraw/zinc/08/78/96/1426087896.db2.gz NZYGQGPNMXOFGB-GFCCVEGCSA-N 0 1 375.889 3.053 20 0 GGADMN Clc1nsc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000737583915 1426087902 /nfs/dbraw/zinc/08/79/02/1426087902.db2.gz NZYGQGPNMXOFGB-GFCCVEGCSA-N 0 1 375.889 3.053 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)CCO1 ZINC000172565134 1426090201 /nfs/dbraw/zinc/09/02/01/1426090201.db2.gz KABFZLWKUGWHJS-OAHLLOKOSA-N 0 1 383.473 3.261 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826335042 1426095035 /nfs/dbraw/zinc/09/50/35/1426095035.db2.gz VKGRNPFVXNYCKP-UHFFFAOYSA-N 0 1 387.491 3.360 20 0 GGADMN C[C@H](C(=O)NC(C)(C)C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587864 1426101067 /nfs/dbraw/zinc/10/10/67/1426101067.db2.gz DAQLODARWMHPBT-QGZVFWFLSA-N 0 1 385.552 3.193 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000736478788 1426101150 /nfs/dbraw/zinc/10/11/50/1426101150.db2.gz CRRDGUCXVVBQLE-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000736478788 1426101153 /nfs/dbraw/zinc/10/11/53/1426101153.db2.gz CRRDGUCXVVBQLE-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000736478788 1426101159 /nfs/dbraw/zinc/10/11/59/1426101159.db2.gz CRRDGUCXVVBQLE-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CC(C)CCNC(=O)[C@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587848 1426101215 /nfs/dbraw/zinc/10/12/15/1426101215.db2.gz CVFCEBYBAYKSIG-IBGZPJMESA-N 0 1 399.579 3.440 20 0 GGADMN Cc1nc(-c2ccc(C[NH2+]C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000822418865 1426108059 /nfs/dbraw/zinc/10/80/59/1426108059.db2.gz HHJCIWMBEBZVPI-IBGZPJMESA-N 0 1 392.488 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000824104193 1426114239 /nfs/dbraw/zinc/11/42/39/1426114239.db2.gz OYNLSDLBXNDQQN-HNNXBMFYSA-N 0 1 398.511 3.093 20 0 GGADMN Cc1ccccc1-c1cc(C(=O)N(C)Cc2nnc[nH]2)c2cnn(C(C)C)c2n1 ZINC000172616128 1426115163 /nfs/dbraw/zinc/11/51/63/1426115163.db2.gz XADBJKNOUDRFPG-UHFFFAOYSA-N 0 1 389.463 3.378 20 0 GGADMN Cc1cc(-c2cc(C(=O)N(C)Cc3nnc[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000172616123 1426115557 /nfs/dbraw/zinc/11/55/57/1426115557.db2.gz BJKWKHQGECGOEV-UHFFFAOYSA-N 0 1 393.451 3.279 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000172626875 1426117882 /nfs/dbraw/zinc/11/78/82/1426117882.db2.gz OKWBWTSWUAOTIX-MYUZEXMDSA-N 0 1 384.545 3.302 20 0 GGADMN COc1ccc(CN2CC[C@@H](NCc3cccc4c3OC(C)(C)C4)C2=O)cc1 ZINC000172630681 1426118889 /nfs/dbraw/zinc/11/88/89/1426118889.db2.gz QAUYTBJAZXJRFL-HXUWFJFHSA-N 0 1 380.488 3.299 20 0 GGADMN OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738395646 1426121299 /nfs/dbraw/zinc/12/12/99/1426121299.db2.gz XTODJKVCYZASKG-LAUBAEHRSA-N 0 1 393.491 3.086 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCC[S@@](=O)C(C)(C)C)[nH]c2c1 ZINC000172656634 1426129988 /nfs/dbraw/zinc/12/99/88/1426129988.db2.gz MBOXNKZZHCPCKZ-AKJBCIBTSA-N 0 1 376.526 3.265 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000172661807 1426132762 /nfs/dbraw/zinc/13/27/62/1426132762.db2.gz DXRXFDPWPSIPPS-INIZCTEOSA-N 0 1 387.524 3.222 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4ccccc4[C@H]3C)n2)cc1 ZINC000172660994 1426132794 /nfs/dbraw/zinc/13/27/94/1426132794.db2.gz ZQYDDGXZRQFPOC-CQSZACIVSA-N 0 1 377.448 3.309 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4ccccc4[C@H]3C)n[nH]2)cc1 ZINC000172660994 1426132800 /nfs/dbraw/zinc/13/28/00/1426132800.db2.gz ZQYDDGXZRQFPOC-CQSZACIVSA-N 0 1 377.448 3.309 20 0 GGADMN O=C(NCCNC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccccc1Cl ZINC000172684875 1426141976 /nfs/dbraw/zinc/14/19/76/1426141976.db2.gz QPPDZYIKJVAPSS-HXUWFJFHSA-N 0 1 399.922 3.241 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822234977 1426143138 /nfs/dbraw/zinc/14/31/38/1426143138.db2.gz NJLRFJMUJVOZAJ-OAHLLOKOSA-N 0 1 389.463 3.288 20 0 GGADMN FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000822729207 1426143560 /nfs/dbraw/zinc/14/35/60/1426143560.db2.gz VYPMVKNAHIQBPL-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000822729207 1426143562 /nfs/dbraw/zinc/14/35/62/1426143562.db2.gz VYPMVKNAHIQBPL-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618701 1426151869 /nfs/dbraw/zinc/15/18/69/1426151869.db2.gz RFFCQSHSRQPOQD-INIZCTEOSA-N 0 1 393.491 3.413 20 0 GGADMN C[C@@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)N1CCc2ccccc2C1 ZINC000172710387 1426154029 /nfs/dbraw/zinc/15/40/29/1426154029.db2.gz XTSIZCHCIDZLHR-KRWDZBQOSA-N 0 1 394.519 3.150 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1ccco1 ZINC000172713110 1426155651 /nfs/dbraw/zinc/15/56/51/1426155651.db2.gz ICOILRMRTHYBHA-KRWDZBQOSA-N 0 1 386.496 3.379 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc(Br)cc1 ZINC000172725694 1426162178 /nfs/dbraw/zinc/16/21/78/1426162178.db2.gz WAGBXMDLRZBKCM-ZJUUUORDSA-N 0 1 396.310 3.287 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C(F)(F)F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000172727336 1426162313 /nfs/dbraw/zinc/16/23/13/1426162313.db2.gz OKFAJALKPIROHP-INIZCTEOSA-N 0 1 385.407 3.475 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(CN3CCSCC3)cc2C)C1 ZINC000172729303 1426163777 /nfs/dbraw/zinc/16/37/77/1426163777.db2.gz WZZMDFQESIPPMR-ROUUACIJSA-N 0 1 390.549 3.462 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(NC=O)cc2)CC1 ZINC000172729206 1426163868 /nfs/dbraw/zinc/16/38/68/1426163868.db2.gz SYWDROBCLXHYGF-INIZCTEOSA-N 0 1 398.482 3.027 20 0 GGADMN CCN(CC(=O)Nc1c(F)cccc1F)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172731221 1426164721 /nfs/dbraw/zinc/16/47/21/1426164721.db2.gz LRLNPVFRWCLMKC-CQSZACIVSA-N 0 1 397.466 3.482 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604829 1426171710 /nfs/dbraw/zinc/17/17/10/1426171710.db2.gz DUNNSFLZDSQIKU-LBPRGKRZSA-N 0 1 395.467 3.418 20 0 GGADMN O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)C1=CCCCO1 ZINC000172746775 1426172227 /nfs/dbraw/zinc/17/22/27/1426172227.db2.gz OHCGPYDDRJUFJS-UHFFFAOYSA-N 0 1 392.503 3.079 20 0 GGADMN O=C(Nc1nnc(C(F)(F)F)s1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000172747345 1426172312 /nfs/dbraw/zinc/17/23/12/1426172312.db2.gz FPKHKEIMPVHTOL-UHFFFAOYSA-N 0 1 398.322 3.235 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000172749814 1426172838 /nfs/dbraw/zinc/17/28/38/1426172838.db2.gz WAVOYNVTLNIDKL-OAHLLOKOSA-N 0 1 377.485 3.336 20 0 GGADMN COc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737099937 1426175002 /nfs/dbraw/zinc/17/50/02/1426175002.db2.gz QTSANOWLILGNAR-UHFFFAOYSA-N 0 1 383.427 3.058 20 0 GGADMN COCCCOc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000172761964 1426176265 /nfs/dbraw/zinc/17/62/65/1426176265.db2.gz ZTIRXBBZMJJULD-GOSISDBHSA-N 0 1 382.504 3.279 20 0 GGADMN CON(C)C(=O)c1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000172762664 1426176827 /nfs/dbraw/zinc/17/68/27/1426176827.db2.gz IXDHMQNXOMCDBO-FQEVSTJZSA-N 0 1 381.476 3.313 20 0 GGADMN CON(C)C(=O)c1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000172762668 1426177019 /nfs/dbraw/zinc/17/70/19/1426177019.db2.gz IXDHMQNXOMCDBO-HXUWFJFHSA-N 0 1 381.476 3.313 20 0 GGADMN CCOc1ccc(OC)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000172775996 1426183414 /nfs/dbraw/zinc/18/34/14/1426183414.db2.gz ZZNRVMRVYRAKEX-UHFFFAOYSA-N 0 1 383.492 3.094 20 0 GGADMN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)s1 ZINC000172790534 1426189919 /nfs/dbraw/zinc/18/99/19/1426189919.db2.gz SWEFAYRGRGXIIO-INIZCTEOSA-N 0 1 386.565 3.341 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824546197 1426191523 /nfs/dbraw/zinc/19/15/23/1426191523.db2.gz HCUYZDZZGVRUOV-RRQGHBQHSA-N 0 1 386.500 3.211 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000172815572 1426202389 /nfs/dbraw/zinc/20/23/89/1426202389.db2.gz YPYOURQSNOMKER-NZQKXSOJSA-N 0 1 392.547 3.342 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1-c1nn[n-]n1 ZINC000826238016 1426203077 /nfs/dbraw/zinc/20/30/77/1426203077.db2.gz TWTHUKJJAVONQD-HNNXBMFYSA-N 0 1 389.935 3.172 20 0 GGADMN Cc1ccccc1CN1CCCN(C(=O)CSCC(=O)OC(C)(C)C)CC1 ZINC000172828975 1426207776 /nfs/dbraw/zinc/20/77/76/1426207776.db2.gz OYJDQAZYXMCJJW-UHFFFAOYSA-N 0 1 392.565 3.104 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000826371566 1426215523 /nfs/dbraw/zinc/21/55/23/1426215523.db2.gz LHFSVCGYYOSVQU-SVFBPWRDSA-N 0 1 392.482 3.006 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000826371566 1426215530 /nfs/dbraw/zinc/21/55/30/1426215530.db2.gz LHFSVCGYYOSVQU-SVFBPWRDSA-N 0 1 392.482 3.006 20 0 GGADMN COc1cccc(C2(C[NH2+]Cc3ccc(OC)c(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000821863513 1426218928 /nfs/dbraw/zinc/21/89/28/1426218928.db2.gz MJBMEVJPZHDAOH-UHFFFAOYSA-N 0 1 393.491 3.486 20 0 GGADMN Fc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]2CCCOC2)c1 ZINC000822786043 1426223022 /nfs/dbraw/zinc/22/30/22/1426223022.db2.gz BQAFGTPVLNFQTF-SFHVURJKSA-N 0 1 381.455 3.435 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000172878925 1426235724 /nfs/dbraw/zinc/23/57/24/1426235724.db2.gz QUSZGPHJCHKMOZ-UHFFFAOYSA-N 0 1 398.438 3.281 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(-c2ccccc2)n1 ZINC000826361222 1426239587 /nfs/dbraw/zinc/23/95/87/1426239587.db2.gz PXFSJGYEGFERHJ-HXUWFJFHSA-N 0 1 385.475 3.434 20 0 GGADMN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C)c1 ZINC000822228816 1426241718 /nfs/dbraw/zinc/24/17/18/1426241718.db2.gz GFGIFPVCZGUQPL-MRXNPFEDSA-N 0 1 377.496 3.198 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1c(F)cccc1F ZINC000172897612 1426244623 /nfs/dbraw/zinc/24/46/23/1426244623.db2.gz NLEATYZDNGLONG-NWDGAFQWSA-N 0 1 382.432 3.046 20 0 GGADMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000172913286 1426256736 /nfs/dbraw/zinc/25/67/36/1426256736.db2.gz CAUVGWKWAPXFPK-OAHLLOKOSA-N 0 1 386.565 3.403 20 0 GGADMN C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000824426729 1426260146 /nfs/dbraw/zinc/26/01/46/1426260146.db2.gz HBHIQUOYKMPCFK-KBPBESRZSA-N 0 1 375.436 3.371 20 0 GGADMN CCOCC[N@@H+](CC)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825595022 1426260706 /nfs/dbraw/zinc/26/07/06/1426260706.db2.gz VEIXNVZVFBYKCG-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN OCCC[N@@H+](Cc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCCc2ccccc21 ZINC000823718455 1426265130 /nfs/dbraw/zinc/26/51/30/1426265130.db2.gz USPNIGYVGKMQAN-HXUWFJFHSA-N 0 1 381.455 3.268 20 0 GGADMN O=C(Cn1ccc(=O)c2sccc21)Nc1cccc(CN2CCSCC2)c1 ZINC000172928288 1426267444 /nfs/dbraw/zinc/26/74/44/1426267444.db2.gz DLYWMTOZKPHGAY-UHFFFAOYSA-N 0 1 399.541 3.251 20 0 GGADMN Fc1ccc(-c2cn(CN3CC[C@H](CN4CCOCC4)C3)c(=S)o2)cc1 ZINC000172935612 1426272934 /nfs/dbraw/zinc/27/29/34/1426272934.db2.gz ZVCRMAUSDCEZIU-OAHLLOKOSA-N 0 1 377.485 3.228 20 0 GGADMN S=c1sc(NC2CCCCC2)nn1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000172935858 1426273071 /nfs/dbraw/zinc/27/30/71/1426273071.db2.gz OQRCHKOLGBUYFN-HNNXBMFYSA-N 0 1 397.614 3.030 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 ZINC000172935343 1426273322 /nfs/dbraw/zinc/27/33/22/1426273322.db2.gz KHIOBROFIJUQBO-UHFFFAOYSA-N 0 1 396.422 3.313 20 0 GGADMN Cc1ccc(-c2nn(CN3CC[C@@H](CN4CCOCC4)C3)c(=S)o2)c(C)c1 ZINC000172935410 1426273422 /nfs/dbraw/zinc/27/34/22/1426273422.db2.gz MEOYTNGWJOYKJY-KRWDZBQOSA-N 0 1 388.537 3.101 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000172947660 1426280375 /nfs/dbraw/zinc/28/03/75/1426280375.db2.gz XTBKHUUVBIRXDN-XMSQKQJNSA-N 0 1 399.560 3.410 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)N1CCCC1 ZINC000172953555 1426282338 /nfs/dbraw/zinc/28/23/38/1426282338.db2.gz VJRVWVFHAIMRPC-HRAATJIYSA-N 0 1 398.551 3.177 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)N2CCCC2)c1 ZINC000172956617 1426283075 /nfs/dbraw/zinc/28/30/75/1426283075.db2.gz LUJNBMDJTDVEKL-OPAMFIHVSA-N 0 1 398.551 3.177 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)N2CCCC2)c1 ZINC000172956622 1426283119 /nfs/dbraw/zinc/28/31/19/1426283119.db2.gz LUJNBMDJTDVEKL-KSFYIVLOSA-N 0 1 398.551 3.177 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000737291214 1426287695 /nfs/dbraw/zinc/28/76/95/1426287695.db2.gz JGQVTZCLPBCIKR-QGZVFWFLSA-N 0 1 397.527 3.151 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)N2CCCC2)o1 ZINC000172977839 1426291322 /nfs/dbraw/zinc/29/13/22/1426291322.db2.gz OMROENXUEKPIFA-FQEVSTJZSA-N 0 1 395.503 3.432 20 0 GGADMN COc1ccc2sc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)c(C)c2c1 ZINC000172982683 1426293509 /nfs/dbraw/zinc/29/35/09/1426293509.db2.gz ZVVPMJVQXYXVBV-MRXNPFEDSA-N 0 1 376.522 3.305 20 0 GGADMN COc1ccc2sc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)c(C)c2c1 ZINC000172982688 1426293724 /nfs/dbraw/zinc/29/37/24/1426293724.db2.gz ZVVPMJVQXYXVBV-INIZCTEOSA-N 0 1 376.522 3.305 20 0 GGADMN Cc1cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)ccc1NC(=O)CC(C)C ZINC000172982846 1426293840 /nfs/dbraw/zinc/29/38/40/1426293840.db2.gz HOEFQMPQSXWWGO-IBGZPJMESA-N 0 1 389.540 3.066 20 0 GGADMN C[C@@H]1CCCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1C ZINC000172987370 1426296199 /nfs/dbraw/zinc/29/61/99/1426296199.db2.gz RRIWNCPQYWNBIX-ZIAGYGMSSA-N 0 1 385.430 3.223 20 0 GGADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736332590 1426299847 /nfs/dbraw/zinc/29/98/47/1426299847.db2.gz RWLVYWKXBROJOU-KDOFPFPSSA-N 0 1 380.500 3.292 20 0 GGADMN CN1CCN(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC000172999950 1426302844 /nfs/dbraw/zinc/30/28/44/1426302844.db2.gz WVMKKHGHLDKRTQ-UHFFFAOYSA-N 0 1 397.485 3.271 20 0 GGADMN CC(C)=CCOc1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000173018240 1426309673 /nfs/dbraw/zinc/30/96/73/1426309673.db2.gz FPAVDUIRWXJUGY-UHFFFAOYSA-N 0 1 394.519 3.108 20 0 GGADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)cc1C(N)=O ZINC000173021137 1426310320 /nfs/dbraw/zinc/31/03/20/1426310320.db2.gz RJRVDAPYLBICBP-UHFFFAOYSA-N 0 1 386.358 3.338 20 0 GGADMN O[C@H](c1ccccc1)C1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823699958 1426316496 /nfs/dbraw/zinc/31/64/96/1426316496.db2.gz YOKTXUFGXJLANO-OAQYLSRUSA-N 0 1 393.491 3.081 20 0 GGADMN CC[C@](C)(CCO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820854313 1426321238 /nfs/dbraw/zinc/32/12/38/1426321238.db2.gz UCTQXAAIVVNXFD-OAQYLSRUSA-N 0 1 381.480 3.086 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000173052484 1426324066 /nfs/dbraw/zinc/32/40/66/1426324066.db2.gz DNMPAZBYWZLZKO-AWEZNQCLSA-N 0 1 375.542 3.009 20 0 GGADMN C[C@@H](C(=O)N1CCCN(C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000173054736 1426324913 /nfs/dbraw/zinc/32/49/13/1426324913.db2.gz ZZWPFZKPMQBTFD-SJLPKXTDSA-N 0 1 375.513 3.053 20 0 GGADMN COC[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)c(F)c1 ZINC000826150864 1426328505 /nfs/dbraw/zinc/32/85/05/1426328505.db2.gz NKVLGDKSYQMSOB-BMLIUANNSA-N 0 1 377.370 3.322 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)cc1 ZINC000173076638 1426332433 /nfs/dbraw/zinc/33/24/33/1426332433.db2.gz YHWOSOQFJOJZDJ-UHFFFAOYSA-N 0 1 379.416 3.443 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1cccs1 ZINC000173082647 1426334705 /nfs/dbraw/zinc/33/47/05/1426334705.db2.gz ZXCHDMDBATVGNH-ZDUSSCGKSA-N 0 1 394.566 3.151 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000173082685 1426334806 /nfs/dbraw/zinc/33/48/06/1426334806.db2.gz BZOSVTJHKYPTMY-GOSISDBHSA-N 0 1 385.533 3.363 20 0 GGADMN CN(C)[C@@H](CNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000173082210 1426334873 /nfs/dbraw/zinc/33/48/73/1426334873.db2.gz KRUZNGGAWCJQFW-CABCVRRESA-N 0 1 381.542 3.257 20 0 GGADMN CN(C)[C@@H](CNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000173082216 1426335180 /nfs/dbraw/zinc/33/51/80/1426335180.db2.gz KRUZNGGAWCJQFW-GJZGRUSLSA-N 0 1 381.542 3.257 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000173085001 1426335375 /nfs/dbraw/zinc/33/53/75/1426335375.db2.gz QWDQFCCDNDOPIL-SFHVURJKSA-N 0 1 380.448 3.245 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173084973 1426335700 /nfs/dbraw/zinc/33/57/00/1426335700.db2.gz WVWGUOVZXCHEDL-SJORKVTESA-N 0 1 391.512 3.322 20 0 GGADMN CCCc1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(C)C)cc1 ZINC000736497507 1426336511 /nfs/dbraw/zinc/33/65/11/1426336511.db2.gz QZUXYZFTBAIPFA-APWZRJJASA-N 0 1 394.527 3.044 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000173094945 1426339513 /nfs/dbraw/zinc/33/95/13/1426339513.db2.gz OZRPDUSNVUAFSI-ILXRZTDVSA-N 0 1 394.397 3.090 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CCO2)n[nH]1 ZINC000173098700 1426340613 /nfs/dbraw/zinc/34/06/13/1426340613.db2.gz AXWAMRJPEKAXNF-QLFBSQMISA-N 0 1 394.397 3.090 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000173106619 1426344806 /nfs/dbraw/zinc/34/48/06/1426344806.db2.gz WIXMOPFHJJOXIE-UHFFFAOYSA-N 0 1 381.476 3.421 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000173128343 1426354213 /nfs/dbraw/zinc/35/42/13/1426354213.db2.gz XSOXKYONPOZWDJ-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000173131537 1426355388 /nfs/dbraw/zinc/35/53/88/1426355388.db2.gz DYZRKSWLPMSANO-NRFANRHFSA-N 0 1 397.494 3.441 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000173131332 1426355424 /nfs/dbraw/zinc/35/54/24/1426355424.db2.gz OSYZBLDKXQKOMI-NHCUHLMSSA-N 0 1 397.494 3.044 20 0 GGADMN C[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000820722901 1426355647 /nfs/dbraw/zinc/35/56/47/1426355647.db2.gz RDXINVKQXZSMNV-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000820722901 1426355651 /nfs/dbraw/zinc/35/56/51/1426355651.db2.gz RDXINVKQXZSMNV-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000820722901 1426355655 /nfs/dbraw/zinc/35/56/55/1426355655.db2.gz RDXINVKQXZSMNV-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@]34CCCc3ccccc34)n2)cc1 ZINC000173135069 1426357752 /nfs/dbraw/zinc/35/77/52/1426357752.db2.gz RXDQXGQGBUKACF-XXBNENTESA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@]34CCCc3ccccc34)n[nH]2)cc1 ZINC000173135069 1426357756 /nfs/dbraw/zinc/35/77/56/1426357756.db2.gz RXDQXGQGBUKACF-XXBNENTESA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccnc(N2CCN(C(=O)[C@H]3C[C@@]34CCCc3ccccc34)CC2)c1 ZINC000173142675 1426362805 /nfs/dbraw/zinc/36/28/05/1426362805.db2.gz VRNRAHYRKSQJMW-NFBKMPQASA-N 0 1 377.488 3.033 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000173149039 1426366041 /nfs/dbraw/zinc/36/60/41/1426366041.db2.gz XILGIRNTMBOFGF-UHFFFAOYSA-N 0 1 398.450 3.389 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000173162619 1426371989 /nfs/dbraw/zinc/37/19/89/1426371989.db2.gz GBJMENRRGRVSQN-CRAIPNDOSA-N 0 1 389.471 3.204 20 0 GGADMN C[C@H]([NH2+]C1(CNc2cccc(F)c2-c2nn[n-]n2)CCOCC1)c1ccccc1 ZINC000736131945 1426372345 /nfs/dbraw/zinc/37/23/45/1426372345.db2.gz MDKHBJZWBUBYBU-HNNXBMFYSA-N 0 1 396.470 3.318 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cccc(N[C@@H](C)C(C)C)c3C)C2)CC1 ZINC000173166151 1426373466 /nfs/dbraw/zinc/37/34/66/1426373466.db2.gz IRWSQQHUVNQLJP-PMACEKPBSA-N 0 1 386.584 3.303 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cccc(N[C@H](C)C(C)C)c3C)C2)CC1 ZINC000173166163 1426373505 /nfs/dbraw/zinc/37/35/05/1426373505.db2.gz IRWSQQHUVNQLJP-WOJBJXKFSA-N 0 1 386.584 3.303 20 0 GGADMN CCn1cc(CC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)c2ccccc21 ZINC000173176373 1426378575 /nfs/dbraw/zinc/37/85/75/1426378575.db2.gz IJAFELMUKLYZHI-SFHVURJKSA-N 0 1 383.536 3.353 20 0 GGADMN C[C@@H](NC(=O)CCc1nc2ccccc2s1)C1(N2CCOCC2)CCCC1 ZINC000173178396 1426379760 /nfs/dbraw/zinc/37/97/60/1426379760.db2.gz OUZCFVHEGZLQGA-MRXNPFEDSA-N 0 1 387.549 3.379 20 0 GGADMN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C1(N2CCOCC2)CCCC1 ZINC000173181484 1426380876 /nfs/dbraw/zinc/38/08/76/1426380876.db2.gz ZXVHPENDFXDJFL-HNNXBMFYSA-N 0 1 384.442 3.398 20 0 GGADMN C[C@@H](NC(=O)CCCOc1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000173183875 1426381800 /nfs/dbraw/zinc/38/18/00/1426381800.db2.gz VEPDWNYMGDMUAE-QGZVFWFLSA-N 0 1 378.488 3.134 20 0 GGADMN CCCN(CCC(=O)Nc1cc(N)ccc1F)CC(=O)Nc1ccccc1C ZINC000173185618 1426382380 /nfs/dbraw/zinc/38/23/80/1426382380.db2.gz CDBHFDSGBMOZGM-UHFFFAOYSA-N 0 1 386.471 3.396 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000173187913 1426383074 /nfs/dbraw/zinc/38/30/74/1426383074.db2.gz DMPVPDVFKAMOJN-UHFFFAOYSA-N 0 1 399.491 3.307 20 0 GGADMN CCc1ccc([C@@H](NC(=O)C(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000173200252 1426389713 /nfs/dbraw/zinc/38/97/13/1426389713.db2.gz TUCWJQDKLPCOSA-MRXNPFEDSA-N 0 1 385.407 3.420 20 0 GGADMN Cc1cccc(Oc2ccccc2NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000173210233 1426396112 /nfs/dbraw/zinc/39/61/12/1426396112.db2.gz WHBGYLXRRKLDRP-GOSISDBHSA-N 0 1 391.471 3.199 20 0 GGADMN CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000173218638 1426400487 /nfs/dbraw/zinc/40/04/87/1426400487.db2.gz SIADEPOTHCBRKN-KRWDZBQOSA-N 0 1 389.565 3.069 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000173222708 1426405695 /nfs/dbraw/zinc/40/56/95/1426405695.db2.gz MKMRWOIRAJFIQN-SIFCLUCFSA-N 0 1 393.487 3.425 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2NC1=O ZINC000173224163 1426408910 /nfs/dbraw/zinc/40/89/10/1426408910.db2.gz MRMDKAZOFCRZIQ-TYILLQQXSA-N 0 1 399.466 3.291 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)N(C)Cc3ccccc3)ccc2NC1=O ZINC000173224063 1426408943 /nfs/dbraw/zinc/40/89/43/1426408943.db2.gz PPQQQUXXVRPVQX-FTRWYGJKSA-N 0 1 395.503 3.494 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3cccs3)ccc2NC1=O ZINC000173228514 1426413557 /nfs/dbraw/zinc/41/35/57/1426413557.db2.gz GPIIFCFYLGSLPU-IGCXYCKISA-N 0 1 387.505 3.213 20 0 GGADMN CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000173232051 1426417964 /nfs/dbraw/zinc/41/79/64/1426417964.db2.gz HGQRDKIQXCGTBW-QFIPXVFZSA-N 0 1 393.531 3.102 20 0 GGADMN CN(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000173232699 1426418765 /nfs/dbraw/zinc/41/87/65/1426418765.db2.gz IZVBBQLSSIJCBH-NRFANRHFSA-N 0 1 394.519 3.451 20 0 GGADMN CN(C)C(=O)Nc1cccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000173232713 1426418785 /nfs/dbraw/zinc/41/87/85/1426418785.db2.gz IZVBBQLSSIJCBH-OAQYLSRUSA-N 0 1 394.519 3.451 20 0 GGADMN CC[C@@](C)(NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1nc(C)cs1 ZINC000173238057 1426422833 /nfs/dbraw/zinc/42/28/33/1426422833.db2.gz FRCITVMSOTWZGQ-OAQYLSRUSA-N 0 1 386.565 3.254 20 0 GGADMN CN1CCN(c2ccc(NC(=O)/C=C/c3cnc(C(C)(C)C)s3)cn2)CC1 ZINC000173237528 1426423111 /nfs/dbraw/zinc/42/31/11/1426423111.db2.gz FJROVQVSTYTNSV-SOFGYWHQSA-N 0 1 385.537 3.239 20 0 GGADMN CC[C@](C)(NC(=O)CCN1CCN(c2ccccc2)CC1)c1nc(C)cs1 ZINC000173238328 1426423674 /nfs/dbraw/zinc/42/36/74/1426423674.db2.gz PWNJRAIINJOUNF-NRFANRHFSA-N 0 1 386.565 3.405 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028723 1426423952 /nfs/dbraw/zinc/42/39/52/1426423952.db2.gz GTIVYWZMGATDRM-GDBMZVCRSA-N 0 1 392.891 3.256 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1OC(C)C ZINC000173242959 1426425750 /nfs/dbraw/zinc/42/57/50/1426425750.db2.gz VKDXASIHKLGASU-UHFFFAOYSA-N 0 1 382.508 3.328 20 0 GGADMN Cc1cnc([C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C2CC2)s1 ZINC000173262601 1426441071 /nfs/dbraw/zinc/44/10/71/1426441071.db2.gz IWUPDZUDXSZAGI-FQEVSTJZSA-N 0 1 384.549 3.231 20 0 GGADMN C[NH+](C)[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821581058 1426460560 /nfs/dbraw/zinc/46/05/60/1426460560.db2.gz BLVPVYNKQFJUBL-SFHVURJKSA-N 0 1 377.427 3.269 20 0 GGADMN C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@H]1c1ccccc1 ZINC000173283739 1426461247 /nfs/dbraw/zinc/46/12/47/1426461247.db2.gz MZCPSQWQTDKDGY-RBBKRZOGSA-N 0 1 392.547 3.246 20 0 GGADMN CN(c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1)C1CC[NH+](C)CC1 ZINC000821621936 1426474723 /nfs/dbraw/zinc/47/47/23/1426474723.db2.gz MAEDUGCEFXTUKV-UHFFFAOYSA-N 0 1 383.525 3.071 20 0 GGADMN Fc1ccc(CN2CC[NH+](Cc3cc(-c4nnn[n-]4)cs3)CC2)c(Cl)c1 ZINC000826375042 1426475282 /nfs/dbraw/zinc/47/52/82/1426475282.db2.gz XFBWWSRHURMVQK-UHFFFAOYSA-N 0 1 392.891 3.039 20 0 GGADMN CCc1c(C)sc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000736672124 1426475495 /nfs/dbraw/zinc/47/54/95/1426475495.db2.gz YWFLGRWTGODKNA-LBPRGKRZSA-N 0 1 384.509 3.258 20 0 GGADMN CCc1c(C)sc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000736672124 1426475499 /nfs/dbraw/zinc/47/54/99/1426475499.db2.gz YWFLGRWTGODKNA-LBPRGKRZSA-N 0 1 384.509 3.258 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccn(Cc3ccncc3)n2)N2CCCC2)o1 ZINC000173301436 1426482557 /nfs/dbraw/zinc/48/25/57/1426482557.db2.gz DDIBMIKGLXMZPR-GOSISDBHSA-N 0 1 394.479 3.186 20 0 GGADMN Cc1nnc(-c2cccc(NC(=O)c3cccc(CN4CCN(C)CC4)c3)c2)o1 ZINC000173301639 1426484465 /nfs/dbraw/zinc/48/44/65/1426484465.db2.gz OXDBWQKEDAOVKY-UHFFFAOYSA-N 0 1 391.475 3.045 20 0 GGADMN C[C@@H]1CN(C(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000173302325 1426484769 /nfs/dbraw/zinc/48/47/69/1426484769.db2.gz GGHFIVXOKBUPTB-WOJBJXKFSA-N 0 1 396.531 3.096 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1CC(F)(F)F ZINC000173303740 1426485583 /nfs/dbraw/zinc/48/55/83/1426485583.db2.gz QDANSJRGWOBCGN-UHFFFAOYSA-N 0 1 392.425 3.337 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173305143 1426487642 /nfs/dbraw/zinc/48/76/42/1426487642.db2.gz PFZNAHZJBLWPGG-CABCVRRESA-N 0 1 389.521 3.307 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)OCO2 ZINC000173309121 1426492462 /nfs/dbraw/zinc/49/24/62/1426492462.db2.gz XSQBLQLDKJHUME-UONOGXRCSA-N 0 1 376.478 3.077 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737419518 1426493841 /nfs/dbraw/zinc/49/38/41/1426493841.db2.gz DEBODMBACVOWEQ-KGLIPLIRSA-N 0 1 382.493 3.053 20 0 GGADMN C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547530 1426495554 /nfs/dbraw/zinc/49/55/54/1426495554.db2.gz PIYXUYCKVSSGPL-CVEARBPZSA-N 0 1 377.496 3.138 20 0 GGADMN COc1ccc([C@@H](C)CCNC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000173319077 1426502678 /nfs/dbraw/zinc/50/26/78/1426502678.db2.gz NJTFXFKJCLTBCD-IBGZPJMESA-N 0 1 395.547 3.366 20 0 GGADMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000173322733 1426505025 /nfs/dbraw/zinc/50/50/25/1426505025.db2.gz PVMDDGRKDXTWFK-HNAYVOBHSA-N 0 1 392.546 3.044 20 0 GGADMN CC(C)c1nnnn1CC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000173324942 1426506285 /nfs/dbraw/zinc/50/62/85/1426506285.db2.gz UQUVTEFXKBFIDJ-UHFFFAOYSA-N 0 1 379.399 3.118 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1)CC(C)C ZINC000825419652 1426509564 /nfs/dbraw/zinc/50/95/64/1426509564.db2.gz QIBUQJOTYHCYPU-UHFFFAOYSA-N 0 1 398.555 3.016 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)C ZINC000825419652 1426509568 /nfs/dbraw/zinc/50/95/68/1426509568.db2.gz QIBUQJOTYHCYPU-UHFFFAOYSA-N 0 1 398.555 3.016 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)C ZINC000825419652 1426509572 /nfs/dbraw/zinc/50/95/72/1426509572.db2.gz QIBUQJOTYHCYPU-UHFFFAOYSA-N 0 1 398.555 3.016 20 0 GGADMN CN(C)[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1cccc(F)c1 ZINC000825848516 1426510808 /nfs/dbraw/zinc/51/08/08/1426510808.db2.gz FOWAEYMQCIEWSS-PMACEKPBSA-N 0 1 380.471 3.276 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000173332648 1426514056 /nfs/dbraw/zinc/51/40/56/1426514056.db2.gz KEPKKFFEXUDOQM-GOSISDBHSA-N 0 1 389.459 3.218 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000173332558 1426514114 /nfs/dbraw/zinc/51/41/14/1426514114.db2.gz IHBFWTOHIIXDJT-NQIIRXRSSA-N 0 1 396.510 3.343 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3csc(NC(=O)C(C)(C)C)n3)n2)cc1 ZINC000173332894 1426514434 /nfs/dbraw/zinc/51/44/34/1426514434.db2.gz LBOKTGJHCDBDIK-UHFFFAOYSA-N 0 1 398.492 3.402 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000173332629 1426514514 /nfs/dbraw/zinc/51/45/14/1426514514.db2.gz KEPKKFFEXUDOQM-SFHVURJKSA-N 0 1 389.459 3.218 20 0 GGADMN COc1ccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000173336502 1426517435 /nfs/dbraw/zinc/51/74/35/1426517435.db2.gz CCFCUDLGVAJCNZ-CABCVRRESA-N 0 1 392.521 3.366 20 0 GGADMN O[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823672134 1426517575 /nfs/dbraw/zinc/51/75/75/1426517575.db2.gz BDSSLTNQBZCCAM-LJQANCHMSA-N 0 1 393.422 3.335 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823672134 1426517578 /nfs/dbraw/zinc/51/75/78/1426517578.db2.gz BDSSLTNQBZCCAM-LJQANCHMSA-N 0 1 393.422 3.335 20 0 GGADMN Cc1cnc(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)s1 ZINC000173345399 1426523844 /nfs/dbraw/zinc/52/38/44/1426523844.db2.gz JPGNIWXLDPCJST-CQSZACIVSA-N 0 1 386.521 3.067 20 0 GGADMN Cc1cc([C@@](C)(O)CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(C)o1 ZINC000173348221 1426525852 /nfs/dbraw/zinc/52/58/52/1426525852.db2.gz PVERQKYMMHICTI-NQIIRXRSSA-N 0 1 389.496 3.223 20 0 GGADMN Cc1cc([C@](C)(O)CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(C)o1 ZINC000173348179 1426525902 /nfs/dbraw/zinc/52/59/02/1426525902.db2.gz PVERQKYMMHICTI-GHTZIAJQSA-N 0 1 389.496 3.223 20 0 GGADMN COCCCOC1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000173349143 1426526423 /nfs/dbraw/zinc/52/64/23/1426526423.db2.gz PSLUEPWMXHKOEN-LJQANCHMSA-N 0 1 393.528 3.034 20 0 GGADMN CN(C)[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1c(F)cccc1F ZINC000825851127 1426526553 /nfs/dbraw/zinc/52/65/53/1426526553.db2.gz UTBIJNBGLNKUIX-OALUTQOASA-N 0 1 398.461 3.415 20 0 GGADMN COCCCOC1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000173349132 1426526765 /nfs/dbraw/zinc/52/67/65/1426526765.db2.gz PSLUEPWMXHKOEN-IBGZPJMESA-N 0 1 393.528 3.034 20 0 GGADMN CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C[C@H]1CCCOC1 ZINC000173351825 1426528823 /nfs/dbraw/zinc/52/88/23/1426528823.db2.gz DQXORXVIWSZDCV-QGZVFWFLSA-N 0 1 384.524 3.467 20 0 GGADMN CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(Cl)nc2Cl)o1 ZINC000173353770 1426529985 /nfs/dbraw/zinc/52/99/85/1426529985.db2.gz SPNNXRXIKABSRD-JTQLQIEISA-N 0 1 379.265 3.210 20 0 GGADMN Cc1cnc([C@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)C2CC2)s1 ZINC000173356503 1426531652 /nfs/dbraw/zinc/53/16/52/1426531652.db2.gz OPBKGQUZGJURNP-QGZVFWFLSA-N 0 1 392.569 3.237 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2ncc(C)s2)N2CCCCC2)cc1 ZINC000173358192 1426532580 /nfs/dbraw/zinc/53/25/80/1426532580.db2.gz BMZRMCWIASVXDA-GOSISDBHSA-N 0 1 388.537 3.487 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2ncc(C)s2)N2CCCCC2)cc1 ZINC000173358179 1426533203 /nfs/dbraw/zinc/53/32/03/1426533203.db2.gz BMZRMCWIASVXDA-SFHVURJKSA-N 0 1 388.537 3.487 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2c(C)nn(C)c2C)N2CCCCC2)cc1 ZINC000173358313 1426533298 /nfs/dbraw/zinc/53/32/98/1426533298.db2.gz WTJFOVDDJFWUNM-OAQYLSRUSA-N 0 1 399.539 3.072 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000173360195 1426533719 /nfs/dbraw/zinc/53/37/19/1426533719.db2.gz RISKNFAACGRTOM-LJQANCHMSA-N 0 1 395.547 3.146 20 0 GGADMN CC[C@@H](NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C)c1ccncc1 ZINC000173363670 1426536677 /nfs/dbraw/zinc/53/66/77/1426536677.db2.gz ZKKCPZODCZBVEZ-QZTJIDSGSA-N 0 1 386.496 3.152 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2Cc3ccccc3C[C@H]2C)N(C)C)cc1OC ZINC000173363949 1426537080 /nfs/dbraw/zinc/53/70/80/1426537080.db2.gz GROJRHZUMMNNPD-OXQOHEQNSA-N 0 1 397.519 3.463 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC(C(C)C)CC2)N(C)C)cc1OC ZINC000173364594 1426538399 /nfs/dbraw/zinc/53/83/99/1426538399.db2.gz CHTVCNXFYBHXSG-SFHVURJKSA-N 0 1 377.529 3.384 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C)CCc2cccs2)N(C)C)cc1OC ZINC000173364229 1426538513 /nfs/dbraw/zinc/53/85/13/1426538513.db2.gz HHZWBKJWYGCPSJ-QGZVFWFLSA-N 0 1 391.537 3.252 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548370 1426546363 /nfs/dbraw/zinc/54/63/63/1426546363.db2.gz PDSFKBGHXZOVIB-IUODEOHRSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548370 1426546367 /nfs/dbraw/zinc/54/63/67/1426546367.db2.gz PDSFKBGHXZOVIB-IUODEOHRSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCCC2(C1)CCCCCC2 ZINC000173374095 1426546605 /nfs/dbraw/zinc/54/66/05/1426546605.db2.gz IAAVOFYOSWOOIA-UHFFFAOYSA-N 0 1 395.507 3.041 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000737032099 1426551946 /nfs/dbraw/zinc/55/19/46/1426551946.db2.gz HMSXRIDRSSFBIM-ZDUSSCGKSA-N 0 1 383.427 3.013 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000737032099 1426551952 /nfs/dbraw/zinc/55/19/52/1426551952.db2.gz HMSXRIDRSSFBIM-ZDUSSCGKSA-N 0 1 383.427 3.013 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000822740166 1426564945 /nfs/dbraw/zinc/56/49/45/1426564945.db2.gz HQBLBUIYXFERGN-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN Cc1nc(-c2cccc(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)c2)cs1 ZINC000173391546 1426570560 /nfs/dbraw/zinc/57/05/60/1426570560.db2.gz SOJJWHGENLBXDV-HXUWFJFHSA-N 0 1 386.565 3.120 20 0 GGADMN Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822345620 1426571409 /nfs/dbraw/zinc/57/14/09/1426571409.db2.gz MVQIAFWGMLIZCR-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822345620 1426571415 /nfs/dbraw/zinc/57/14/15/1426571415.db2.gz MVQIAFWGMLIZCR-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN CCOc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000173398076 1426580342 /nfs/dbraw/zinc/58/03/42/1426580342.db2.gz DWHVEKMCWSZAGH-AWEZNQCLSA-N 0 1 380.485 3.326 20 0 GGADMN Cc1cccc(C(C)(C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000826296299 1426584804 /nfs/dbraw/zinc/58/48/04/1426584804.db2.gz QOAAEDROFLZBHH-UHFFFAOYSA-N 0 1 375.436 3.250 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361393 1426587936 /nfs/dbraw/zinc/58/79/36/1426587936.db2.gz VTGUPHOERFIARO-POZUXBRTSA-N 0 1 377.496 3.326 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000824284426 1426589116 /nfs/dbraw/zinc/58/91/16/1426589116.db2.gz ILBHJFPIQVNVCE-UHFFFAOYSA-N 0 1 393.333 3.186 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000824284426 1426589124 /nfs/dbraw/zinc/58/91/24/1426589124.db2.gz ILBHJFPIQVNVCE-UHFFFAOYSA-N 0 1 393.333 3.186 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000824284426 1426589129 /nfs/dbraw/zinc/58/91/29/1426589129.db2.gz ILBHJFPIQVNVCE-UHFFFAOYSA-N 0 1 393.333 3.186 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@H](C)Oc2ccccc2F)N(C)C)c1 ZINC000173409733 1426592439 /nfs/dbraw/zinc/59/24/39/1426592439.db2.gz XUKLLTDSWYXSFG-KXBFYZLASA-N 0 1 389.471 3.204 20 0 GGADMN CCc1ccc([C@H](COC)NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)o1 ZINC000173410313 1426593841 /nfs/dbraw/zinc/59/38/41/1426593841.db2.gz JVXAPEJQJZEPIA-RBUKOAKNSA-N 0 1 389.496 3.140 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000824572992 1426594029 /nfs/dbraw/zinc/59/40/29/1426594029.db2.gz YNABQSCTGGSSBO-YCRPNKLZSA-N 0 1 386.459 3.313 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H](OC)c2ccc(F)cc2)N(C)C)c1 ZINC000173410818 1426594218 /nfs/dbraw/zinc/59/42/18/1426594218.db2.gz DHQQAADNZFAVQT-VQTJNVASSA-N 0 1 389.471 3.124 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)N(C)C)c1 ZINC000173411068 1426594541 /nfs/dbraw/zinc/59/45/41/1426594541.db2.gz YQDVMQGZJQMLDA-BBRMVZONSA-N 0 1 389.500 3.039 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@@H](OC)c2ccc(F)cc2)N(C)C)c1 ZINC000173410832 1426594787 /nfs/dbraw/zinc/59/47/87/1426594787.db2.gz DHQQAADNZFAVQT-WOJBJXKFSA-N 0 1 389.471 3.124 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000173420129 1426602950 /nfs/dbraw/zinc/60/29/50/1426602950.db2.gz QJHRILKEESRLQJ-BEFAXECRSA-N 0 1 384.476 3.164 20 0 GGADMN Cc1nnc(SCCC(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)[nH]1 ZINC000173422082 1426604384 /nfs/dbraw/zinc/60/43/84/1426604384.db2.gz ITGPKSMUYLLJOX-SFHVURJKSA-N 0 1 388.537 3.154 20 0 GGADMN O[C@H](C[NH2+]CC1(c2ccccc2)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682640 1426609035 /nfs/dbraw/zinc/60/90/35/1426609035.db2.gz SSSBKBSQWZSHDZ-HXUWFJFHSA-N 0 1 377.492 3.392 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000822233434 1426611941 /nfs/dbraw/zinc/61/19/41/1426611941.db2.gz OTMXBXCBXOTQSY-DOTOQJQBSA-N 0 1 396.520 3.443 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2)C[C@@H](C)O1 ZINC000173438204 1426619342 /nfs/dbraw/zinc/61/93/42/1426619342.db2.gz CJLOGDOHHDADDZ-HZPDHXFCSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2)C[C@H](C)O1 ZINC000173438176 1426619631 /nfs/dbraw/zinc/61/96/31/1426619631.db2.gz CJLOGDOHHDADDZ-IYBDPMFKSA-N 0 1 388.458 3.433 20 0 GGADMN CCC[C@H](NC(=O)CN1CCC(CN2CCCCC2=O)CC1)c1ccccc1 ZINC000173439868 1426620392 /nfs/dbraw/zinc/62/03/92/1426620392.db2.gz YZBYGFMPWZVIJG-NRFANRHFSA-N 0 1 385.552 3.369 20 0 GGADMN Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)c3nc(C(C)(C)C)no3)CC2)c1 ZINC000173443764 1426623470 /nfs/dbraw/zinc/62/34/70/1426623470.db2.gz CCCORHNWEKQAPU-KRWDZBQOSA-N 0 1 399.539 3.065 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC(CN2CCCCC2=O)CC1 ZINC000173445407 1426624582 /nfs/dbraw/zinc/62/45/82/1426624582.db2.gz VJWHQLDGGUEFHS-HXUWFJFHSA-N 0 1 387.524 3.137 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000822757857 1426624749 /nfs/dbraw/zinc/62/47/49/1426624749.db2.gz GKAKBNLKHPWXMF-IBGZPJMESA-N 0 1 381.455 3.230 20 0 GGADMN Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826305023 1426627492 /nfs/dbraw/zinc/62/74/92/1426627492.db2.gz HNCBBHYDFXNAHX-BEFAXECRSA-N 0 1 389.507 3.377 20 0 GGADMN C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824586358 1426631270 /nfs/dbraw/zinc/63/12/70/1426631270.db2.gz YXOPJVLUGRPVAD-CQSZACIVSA-N 0 1 394.454 3.026 20 0 GGADMN CCCn1ccc2ccc(NC(=O)NC[C@H](C(C)C)N3CCN(C)CC3)cc21 ZINC000173460610 1426635104 /nfs/dbraw/zinc/63/51/04/1426635104.db2.gz IOSDZBSJCGTXSD-OAQYLSRUSA-N 0 1 385.556 3.445 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@H](c2ccccc2)CO1 ZINC000173463388 1426638175 /nfs/dbraw/zinc/63/81/75/1426638175.db2.gz KVDHVOLWGJWZEG-CVDCTZTESA-N 0 1 393.531 3.036 20 0 GGADMN CCc1ccc(CN(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821486735 1426645956 /nfs/dbraw/zinc/64/59/56/1426645956.db2.gz KMXLJIBDPBLHJP-UHFFFAOYSA-N 0 1 375.436 3.111 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000173476479 1426650497 /nfs/dbraw/zinc/65/04/97/1426650497.db2.gz IHOOHHTUDYHNPR-NRFANRHFSA-N 0 1 380.492 3.487 20 0 GGADMN COCc1ccccc1CNC(=O)CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000173476884 1426651418 /nfs/dbraw/zinc/65/14/18/1426651418.db2.gz WVNATLUSFJPSRT-JOCHJYFZSA-N 0 1 381.520 3.352 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000737033781 1426668101 /nfs/dbraw/zinc/66/81/01/1426668101.db2.gz YSVWKSJRBNFLRC-IBGZPJMESA-N 0 1 393.491 3.270 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000737033781 1426668105 /nfs/dbraw/zinc/66/81/05/1426668105.db2.gz YSVWKSJRBNFLRC-IBGZPJMESA-N 0 1 393.491 3.270 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000737033781 1426668109 /nfs/dbraw/zinc/66/81/09/1426668109.db2.gz YSVWKSJRBNFLRC-IBGZPJMESA-N 0 1 393.491 3.270 20 0 GGADMN OCC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000826509164 1426668429 /nfs/dbraw/zinc/66/84/29/1426668429.db2.gz NCZFEKXSBJILNA-QGZVFWFLSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826509164 1426668432 /nfs/dbraw/zinc/66/84/32/1426668432.db2.gz NCZFEKXSBJILNA-QGZVFWFLSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826509164 1426668436 /nfs/dbraw/zinc/66/84/36/1426668436.db2.gz NCZFEKXSBJILNA-QGZVFWFLSA-N 0 1 393.491 3.040 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853384 1426669658 /nfs/dbraw/zinc/66/96/58/1426669658.db2.gz BHUUNSLJPUVXKR-HXUWFJFHSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853384 1426669664 /nfs/dbraw/zinc/66/96/64/1426669664.db2.gz BHUUNSLJPUVXKR-HXUWFJFHSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853384 1426669667 /nfs/dbraw/zinc/66/96/67/1426669667.db2.gz BHUUNSLJPUVXKR-HXUWFJFHSA-N 0 1 386.500 3.088 20 0 GGADMN C[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824594200 1426676900 /nfs/dbraw/zinc/67/69/00/1426676900.db2.gz YCBSJTYYRUDINC-LBPRGKRZSA-N 0 1 381.465 3.262 20 0 GGADMN Cc1cccc(-n2cc(C(=O)N3CC[C@@H](C)N(Cc4ccccc4)CC3)nn2)c1 ZINC000173511052 1426680807 /nfs/dbraw/zinc/68/08/07/1426680807.db2.gz KNDMPORTPDPXEJ-LJQANCHMSA-N 0 1 389.503 3.312 20 0 GGADMN COc1ccc(C2CC[NH+](CCOc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000821786279 1426682115 /nfs/dbraw/zinc/68/21/15/1426682115.db2.gz CMDLWGQEIMTMAZ-UHFFFAOYSA-N 0 1 379.464 3.134 20 0 GGADMN Cc1cccc([C@@H]2CCCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)c1C ZINC000173514605 1426684913 /nfs/dbraw/zinc/68/49/13/1426684913.db2.gz FWCXSOKZFVGKOP-KRWDZBQOSA-N 0 1 378.480 3.160 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000821094317 1426694099 /nfs/dbraw/zinc/69/40/99/1426694099.db2.gz GMNFCRHZWREZRN-UHFFFAOYSA-N 0 1 382.443 3.247 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000821094317 1426694102 /nfs/dbraw/zinc/69/41/02/1426694102.db2.gz GMNFCRHZWREZRN-UHFFFAOYSA-N 0 1 382.443 3.247 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000821094317 1426694108 /nfs/dbraw/zinc/69/41/08/1426694108.db2.gz GMNFCRHZWREZRN-UHFFFAOYSA-N 0 1 382.443 3.247 20 0 GGADMN CCCC[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825267606 1426699036 /nfs/dbraw/zinc/69/90/36/1426699036.db2.gz KWPULVCDPKUVRB-VQTJNVASSA-N 0 1 381.480 3.430 20 0 GGADMN CC[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@H](C)c1cccc(OC)c1 ZINC000825443429 1426702278 /nfs/dbraw/zinc/70/22/78/1426702278.db2.gz BZLGYQMLOWPBRG-CQSZACIVSA-N 0 1 377.452 3.106 20 0 GGADMN C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824614183 1426708617 /nfs/dbraw/zinc/70/86/17/1426708617.db2.gz ZGIVDQQZVIHVHP-ZDUSSCGKSA-N 0 1 391.454 3.471 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737547970 1426710310 /nfs/dbraw/zinc/71/03/10/1426710310.db2.gz MUIXSBHIKMRGAO-VBKZILBWSA-N 0 1 384.484 3.226 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC(C(=O)N4CCC(C)CC4)CC3)C2=O)cc1 ZINC000173547855 1426720935 /nfs/dbraw/zinc/72/09/35/1426720935.db2.gz SHBSDRFDEQHUCM-JOCHJYFZSA-N 0 1 397.563 3.461 20 0 GGADMN O=C1[C@H](N2CCC[C@H](c3cc[nH]n3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173551638 1426724885 /nfs/dbraw/zinc/72/48/85/1426724885.db2.gz UDEPUKRQWMOOKK-KBXCAEBGSA-N 0 1 390.434 3.386 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555949 1426727252 /nfs/dbraw/zinc/72/72/52/1426727252.db2.gz YUTISZPAJZLDGV-RISCZKNCSA-N 0 1 388.397 3.214 20 0 GGADMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000173558834 1426729266 /nfs/dbraw/zinc/72/92/66/1426729266.db2.gz LXWSFBCZRGJBCV-LPHOPBHVSA-N 0 1 387.549 3.079 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000173563824 1426733018 /nfs/dbraw/zinc/73/30/18/1426733018.db2.gz IETCJTOWJIUJTO-RTWAWAEBSA-N 0 1 396.539 3.249 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)CC1 ZINC000173579304 1426744611 /nfs/dbraw/zinc/74/46/11/1426744611.db2.gz QVDNPGSRUAMQMV-UHFFFAOYSA-N 0 1 375.513 3.360 20 0 GGADMN c1ccc([C@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCCO2)cc1 ZINC000826520213 1426748418 /nfs/dbraw/zinc/74/84/18/1426748418.db2.gz CSEWBPMRQINHEE-LJQANCHMSA-N 0 1 376.464 3.109 20 0 GGADMN Cn1cc(C[NH2+]CCc2c[nH]c3ccccc23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361538 1426762133 /nfs/dbraw/zinc/76/21/33/1426762133.db2.gz BHUAIQQZMCVQKG-UHFFFAOYSA-N 0 1 398.474 3.081 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761563 1426763107 /nfs/dbraw/zinc/76/31/07/1426763107.db2.gz BPVGLBTXHALRQT-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761563 1426763111 /nfs/dbraw/zinc/76/31/11/1426763111.db2.gz BPVGLBTXHALRQT-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761563 1426763114 /nfs/dbraw/zinc/76/31/14/1426763114.db2.gz BPVGLBTXHALRQT-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN CC1CCC([NH+]2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)CC1 ZINC000736240779 1426764735 /nfs/dbraw/zinc/76/47/35/1426764735.db2.gz LOOJNZVDIGSBOR-UHFFFAOYSA-N 0 1 377.496 3.116 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000822232146 1426767925 /nfs/dbraw/zinc/76/79/25/1426767925.db2.gz VDEPOYHWWCDPKN-UWJYYQICSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000822232146 1426767929 /nfs/dbraw/zinc/76/79/29/1426767929.db2.gz VDEPOYHWWCDPKN-UWJYYQICSA-N 0 1 393.491 3.324 20 0 GGADMN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(CC2CCOCC2)CC1 ZINC000173604183 1426776207 /nfs/dbraw/zinc/77/62/07/1426776207.db2.gz USGKTGPANXCAKT-UHFFFAOYSA-N 0 1 397.494 3.436 20 0 GGADMN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826331003 1426778834 /nfs/dbraw/zinc/77/88/34/1426778834.db2.gz PHRJPTOHDBIGJI-ZDUSSCGKSA-N 0 1 377.427 3.351 20 0 GGADMN O=C1[C@@H](N2CCC(c3cc[nH]n3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173606047 1426779969 /nfs/dbraw/zinc/77/99/69/1426779969.db2.gz BJJRWFDIHZYKKT-SFHVURJKSA-N 0 1 390.434 3.386 20 0 GGADMN Cc1ccsc1CC[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826316578 1426784185 /nfs/dbraw/zinc/78/41/85/1426784185.db2.gz SBKHYJTVVJHCRO-UHFFFAOYSA-N 0 1 382.537 3.033 20 0 GGADMN c1[nH]c2ncccc2c1C1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000738423140 1426793973 /nfs/dbraw/zinc/79/39/73/1426793973.db2.gz OERVMTAPPHCKKS-UHFFFAOYSA-N 0 1 389.463 3.001 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825068317 1426795999 /nfs/dbraw/zinc/79/59/99/1426795999.db2.gz QCNBFAJUHPZKPU-LSDHHAIUSA-N 0 1 378.480 3.246 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823827265 1426801183 /nfs/dbraw/zinc/80/11/83/1426801183.db2.gz YMUNHVJUUNBXGM-AWEZNQCLSA-N 0 1 391.317 3.084 20 0 GGADMN COC(=O)c1cccc(-c2nc(CN3CCC[C@H](C4OCCO4)C3)cs2)c1 ZINC000173638794 1426805870 /nfs/dbraw/zinc/80/58/70/1426805870.db2.gz SOLPEYQKRNVMMP-INIZCTEOSA-N 0 1 388.489 3.182 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN(C)CC(C)(C)c1ccc(C)cc1)[nH]c2=O ZINC000173646080 1426808703 /nfs/dbraw/zinc/80/87/03/1426808703.db2.gz SMTOUILFKFMKMK-UHFFFAOYSA-N 0 1 393.487 3.428 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826503387 1426811473 /nfs/dbraw/zinc/81/14/73/1426811473.db2.gz WOTJKWNCEPZZFF-PKOBYXMFSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826503387 1426811483 /nfs/dbraw/zinc/81/14/83/1426811483.db2.gz WOTJKWNCEPZZFF-PKOBYXMFSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826503387 1426811502 /nfs/dbraw/zinc/81/15/02/1426811502.db2.gz WOTJKWNCEPZZFF-PKOBYXMFSA-N 0 1 385.418 3.233 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000173655262 1426811693 /nfs/dbraw/zinc/81/16/93/1426811693.db2.gz FEIPBTNLGGMKRW-IBGZPJMESA-N 0 1 381.476 3.122 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000173657995 1426812371 /nfs/dbraw/zinc/81/23/71/1426812371.db2.gz QAGDRTHNDBFKTB-SFHVURJKSA-N 0 1 393.487 3.471 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000173658007 1426812612 /nfs/dbraw/zinc/81/26/12/1426812612.db2.gz QAGDRTHNDBFKTB-GOSISDBHSA-N 0 1 393.487 3.471 20 0 GGADMN C[C@H](c1ccc2ccccc2c1)N(CCNS(=O)(=O)c1cnn(C)c1)C1CC1 ZINC000173667678 1426815293 /nfs/dbraw/zinc/81/52/93/1426815293.db2.gz MZNFLMJBFQLIMG-MRXNPFEDSA-N 0 1 398.532 3.077 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)N[C@H](C)CN3CCN(C)CC3)cn2)c1C ZINC000173674658 1426817384 /nfs/dbraw/zinc/81/73/84/1426817384.db2.gz GKMHCDSPWDRZOB-QGZVFWFLSA-N 0 1 397.523 3.248 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)cc1 ZINC000173675878 1426817894 /nfs/dbraw/zinc/81/78/94/1426817894.db2.gz IRRUEJFJFVMUCZ-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN CC(C)(C)Oc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000173680903 1426819679 /nfs/dbraw/zinc/81/96/79/1426819679.db2.gz FBZHJRJJBLWMHE-HXUWFJFHSA-N 0 1 397.519 3.405 20 0 GGADMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824698166 1426820780 /nfs/dbraw/zinc/82/07/80/1426820780.db2.gz JDMIEMCFDKOJEM-QFBILLFUSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824698166 1426820782 /nfs/dbraw/zinc/82/07/82/1426820782.db2.gz JDMIEMCFDKOJEM-QFBILLFUSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824698166 1426820788 /nfs/dbraw/zinc/82/07/88/1426820788.db2.gz JDMIEMCFDKOJEM-QFBILLFUSA-N 0 1 393.491 3.181 20 0 GGADMN Cc1ccc(C(C)(C)CN(C)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000173685626 1426820823 /nfs/dbraw/zinc/82/08/23/1426820823.db2.gz LNSBRYJFYFFKDY-NRFANRHFSA-N 0 1 388.600 3.186 20 0 GGADMN CCc1cc2oc(=O)cc(CN3CCC[C@H]3CN3CCOCC3)c2cc1Cl ZINC000173689349 1426821806 /nfs/dbraw/zinc/82/18/06/1426821806.db2.gz GYASLLZNVYJGDV-KRWDZBQOSA-N 0 1 390.911 3.305 20 0 GGADMN CC(C)c1ccc(CN(C(=O)CN2CCC[C@H]2CN2CCOCC2)C2CC2)cc1 ZINC000173689646 1426821816 /nfs/dbraw/zinc/82/18/16/1426821816.db2.gz JSEJLTYQPNDKDC-QHCPKHFHSA-N 0 1 399.579 3.098 20 0 GGADMN O=C(CN1CCC[C@@H]1CN1CCOCC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000173689839 1426821827 /nfs/dbraw/zinc/82/18/27/1426821827.db2.gz JXHIPHIXCSTJSQ-ISKFKSNPSA-N 0 1 399.579 3.221 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(C)(C)C2)cc1 ZINC000173689892 1426821840 /nfs/dbraw/zinc/82/18/40/1426821840.db2.gz BSGPLCZSAPHXLM-UHFFFAOYSA-N 0 1 388.489 3.368 20 0 GGADMN CN(C(=O)c1cccc(C[S@](C)=O)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173699709 1426824581 /nfs/dbraw/zinc/82/45/81/1426824581.db2.gz CDBNDXXPBKRHGZ-ZBLYBZFDSA-N 0 1 384.545 3.302 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173710102 1426828426 /nfs/dbraw/zinc/82/84/26/1426828426.db2.gz RMLOOWJMCARVDE-LJQANCHMSA-N 0 1 385.895 3.402 20 0 GGADMN CN(C(=O)c1csc(-c2cnccn2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173713138 1426829109 /nfs/dbraw/zinc/82/91/09/1426829109.db2.gz LUIWYPARAWBITJ-KRWDZBQOSA-N 0 1 393.516 3.337 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cccc(Cl)n2)C(C)C)cc1 ZINC000173713715 1426829373 /nfs/dbraw/zinc/82/93/73/1426829373.db2.gz ISZNCUVVSXMYSW-SFHVURJKSA-N 0 1 391.899 3.344 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cccc(Cl)n2)C(C)C)cc1 ZINC000173713730 1426829438 /nfs/dbraw/zinc/82/94/38/1426829438.db2.gz ISZNCUVVSXMYSW-GOSISDBHSA-N 0 1 391.899 3.344 20 0 GGADMN CN(C(=O)c1cn(Cc2cccs2)nn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173716018 1426830242 /nfs/dbraw/zinc/83/02/42/1426830242.db2.gz QEUPLYLTMOSLJL-GOSISDBHSA-N 0 1 395.532 3.125 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000173722401 1426831340 /nfs/dbraw/zinc/83/13/40/1426831340.db2.gz LBCTVNYCTJAZPK-UHFFFAOYSA-N 0 1 393.528 3.498 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 ZINC000173722462 1426831371 /nfs/dbraw/zinc/83/13/71/1426831371.db2.gz HZIASVOKXLYJNQ-UHFFFAOYSA-N 0 1 392.931 3.064 20 0 GGADMN Cc1cc(N2CC[C@H](N3CCC(c4c[nH]c5cc(F)ccc54)CC3)C2=O)n(C)n1 ZINC000173723904 1426831599 /nfs/dbraw/zinc/83/15/99/1426831599.db2.gz YQHCURXAYOHVBT-FQEVSTJZSA-N 0 1 395.482 3.334 20 0 GGADMN Cc1cc(N2CC[C@@H](N3CCC(c4c[nH]c5cc(F)ccc54)CC3)C2=O)n(C)n1 ZINC000173723923 1426831736 /nfs/dbraw/zinc/83/17/36/1426831736.db2.gz YQHCURXAYOHVBT-HXUWFJFHSA-N 0 1 395.482 3.334 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000173726775 1426832388 /nfs/dbraw/zinc/83/23/88/1426832388.db2.gz WXBGXCAQKSMQRX-VGOFRKELSA-N 0 1 392.515 3.158 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000173726787 1426832496 /nfs/dbraw/zinc/83/24/96/1426832496.db2.gz WXBGXCAQKSMQRX-HTAPYJJXSA-N 0 1 392.515 3.158 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820656191 1426832873 /nfs/dbraw/zinc/83/28/73/1426832873.db2.gz DUKIVBJNASCKBB-DNVCBOLYSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820656191 1426832882 /nfs/dbraw/zinc/83/28/82/1426832882.db2.gz DUKIVBJNASCKBB-DNVCBOLYSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820656191 1426832893 /nfs/dbraw/zinc/83/28/93/1426832893.db2.gz DUKIVBJNASCKBB-DNVCBOLYSA-N 0 1 391.479 3.041 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000173728637 1426833142 /nfs/dbraw/zinc/83/31/42/1426833142.db2.gz HJCDSYHRVMZYNB-OAHLLOKOSA-N 0 1 392.521 3.312 20 0 GGADMN COCCOC[C@H]1CCN(Cc2csc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000173732272 1426834266 /nfs/dbraw/zinc/83/42/66/1426834266.db2.gz WFPAEFUTIXJVST-HNNXBMFYSA-N 0 1 390.505 3.082 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC=C(c4ccc(O)cc4)CC3)c2)CC1 ZINC000173747392 1426838389 /nfs/dbraw/zinc/83/83/89/1426838389.db2.gz PHPGBSPINJMBAS-UHFFFAOYSA-N 0 1 391.515 3.069 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CN(C)CCc3cccs3)cc2)C[C@H](C)O1 ZINC000173757261 1426841649 /nfs/dbraw/zinc/84/16/49/1426841649.db2.gz SDEBLQWMJDQRGD-CALCHBBNSA-N 0 1 387.549 3.475 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3coc(-c4cccs4)n3)c2)CC1 ZINC000173760431 1426842626 /nfs/dbraw/zinc/84/26/26/1426842626.db2.gz VOQFXSZSXDDXQG-UHFFFAOYSA-N 0 1 396.516 3.081 20 0 GGADMN CCOc1cccc2cc([C@@H](C)N[C@H]3CCCN(c4ccn(C)n4)C3=O)oc21 ZINC000173764969 1426844070 /nfs/dbraw/zinc/84/40/70/1426844070.db2.gz OPVVHJAWDPKATI-ZBFHGGJFSA-N 0 1 382.464 3.411 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@](C)(CC)C1 ZINC000173774884 1426847476 /nfs/dbraw/zinc/84/74/76/1426847476.db2.gz WKBKWAJGAZOZJT-FQEVSTJZSA-N 0 1 392.569 3.319 20 0 GGADMN Cc1ccc(C[C@H](N[C@H]2CCCN(c3cnn(C)c3)C2=O)c2ccccn2)cc1 ZINC000173777992 1426848368 /nfs/dbraw/zinc/84/83/68/1426848368.db2.gz KEBUDXSYAFIZIR-VXKWHMMOSA-N 0 1 389.503 3.193 20 0 GGADMN COC(=O)[C@H](NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1F ZINC000173801411 1426855027 /nfs/dbraw/zinc/85/50/27/1426855027.db2.gz IXEHAFRDBBLDON-LEWJYISDSA-N 0 1 386.467 3.475 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000173802300 1426855389 /nfs/dbraw/zinc/85/53/89/1426855389.db2.gz WKGZWXUXGNWQSK-QAPCUYQASA-N 0 1 386.496 3.064 20 0 GGADMN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1OCC ZINC000173802370 1426855455 /nfs/dbraw/zinc/85/54/55/1426855455.db2.gz HZYVKXCPDBXVJO-RDJZCZTQSA-N 0 1 386.496 3.064 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC000173816949 1426859199 /nfs/dbraw/zinc/85/91/99/1426859199.db2.gz UDNPSZWYVDYEES-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000173816413 1426859276 /nfs/dbraw/zinc/85/92/76/1426859276.db2.gz UAOIGWULEQIEEU-IBGZPJMESA-N 0 1 389.931 3.327 20 0 GGADMN O=C(CN1CCC2(CCCC2)C1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000173820361 1426859892 /nfs/dbraw/zinc/85/98/92/1426859892.db2.gz UHEURLHSDGKLHH-UHFFFAOYSA-N 0 1 393.413 3.491 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@@H](C)CCc3cccn3C)CC2)cc1 ZINC000173827554 1426862027 /nfs/dbraw/zinc/86/20/27/1426862027.db2.gz GCJRVCGQBCDPOV-IBGZPJMESA-N 0 1 398.551 3.272 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc4ccn(C)c4c3)n2)cc1 ZINC000173826744 1426862045 /nfs/dbraw/zinc/86/20/45/1426862045.db2.gz MGPPJKOXIKDTPG-UHFFFAOYSA-N 0 1 376.420 3.294 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc4ccn(C)c4c3)n[nH]2)cc1 ZINC000173826744 1426862047 /nfs/dbraw/zinc/86/20/47/1426862047.db2.gz MGPPJKOXIKDTPG-UHFFFAOYSA-N 0 1 376.420 3.294 20 0 GGADMN CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000173836515 1426865052 /nfs/dbraw/zinc/86/50/52/1426865052.db2.gz AALARKKTXOBJKX-LJQANCHMSA-N 0 1 387.505 3.051 20 0 GGADMN C[C@H](NCC(=O)NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000173838803 1426866001 /nfs/dbraw/zinc/86/60/01/1426866001.db2.gz YNTMPXLTNCCASR-INIZCTEOSA-N 0 1 377.444 3.499 20 0 GGADMN CCOc1cc(CN(C)c2[nH+]ccc(C)c2-c2nnn[n-]2)ccc1OC(F)F ZINC000825616195 1426872814 /nfs/dbraw/zinc/87/28/14/1426872814.db2.gz ZNKXREPSZVBFIE-UHFFFAOYSA-N 0 1 390.394 3.207 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCS[C@@H](C(C)C)C2)cc1OC ZINC000173861783 1426874068 /nfs/dbraw/zinc/87/40/68/1426874068.db2.gz GINSBUAJROXFFT-YLJYHZDGSA-N 0 1 392.565 3.441 20 0 GGADMN CC(C)[C@H]1CN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCS1 ZINC000173863403 1426874429 /nfs/dbraw/zinc/87/44/29/1426874429.db2.gz CMUSAMOZQDIEIS-LJQANCHMSA-N 0 1 393.622 3.247 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1 ZINC000173865207 1426874886 /nfs/dbraw/zinc/87/48/86/1426874886.db2.gz OFVACWIEMXFFBS-QWHCGFSZSA-N 0 1 377.510 3.046 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000173867354 1426876259 /nfs/dbraw/zinc/87/62/59/1426876259.db2.gz SSEPMNXMGIEZIA-LSDHHAIUSA-N 0 1 393.944 3.465 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000173867367 1426876343 /nfs/dbraw/zinc/87/63/43/1426876343.db2.gz SSEPMNXMGIEZIA-GJZGRUSLSA-N 0 1 393.944 3.465 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)c1ccco1 ZINC000173869171 1426876625 /nfs/dbraw/zinc/87/66/25/1426876625.db2.gz XXMOJBYWHHRZEC-UXHICEINSA-N 0 1 397.519 3.278 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1)c1ccco1 ZINC000173869157 1426876673 /nfs/dbraw/zinc/87/66/73/1426876673.db2.gz XXMOJBYWHHRZEC-VQTJNVASSA-N 0 1 397.519 3.278 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)c1ccco1 ZINC000173869184 1426876929 /nfs/dbraw/zinc/87/69/29/1426876929.db2.gz XXMOJBYWHHRZEC-WOJBJXKFSA-N 0 1 397.519 3.278 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000173872266 1426877616 /nfs/dbraw/zinc/87/76/16/1426877616.db2.gz YDQBUBAQZMNLAU-IBGZPJMESA-N 0 1 396.535 3.258 20 0 GGADMN C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824885104 1426882043 /nfs/dbraw/zinc/88/20/43/1426882043.db2.gz REKGXTXYMLTCKV-AEFFLSMTSA-N 0 1 393.491 3.350 20 0 GGADMN CN(C)c1cccc([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000173898319 1426884506 /nfs/dbraw/zinc/88/45/06/1426884506.db2.gz JMXOLBNCXUMBMV-IBGZPJMESA-N 0 1 381.476 3.299 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000173898149 1426884610 /nfs/dbraw/zinc/88/46/10/1426884610.db2.gz IWEYZTJCANDRFO-IUODEOHRSA-N 0 1 382.386 3.165 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000173900587 1426884893 /nfs/dbraw/zinc/88/48/93/1426884893.db2.gz KILCXWKKHPOMIK-OAQYLSRUSA-N 0 1 380.492 3.487 20 0 GGADMN COc1ccc2c(c1)[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)CC2 ZINC000821849987 1426889115 /nfs/dbraw/zinc/88/91/15/1426889115.db2.gz UQHWFRCOIBDAMC-LJQANCHMSA-N 0 1 381.505 3.386 20 0 GGADMN Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826290500 1426896814 /nfs/dbraw/zinc/89/68/14/1426896814.db2.gz ONHXSQQTJXKFPO-KUHUBIRLSA-N 0 1 394.454 3.160 20 0 GGADMN CCCC[N@H+](C)c1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000821061675 1426896982 /nfs/dbraw/zinc/89/69/82/1426896982.db2.gz SCFYXDOAZFKNNW-UHFFFAOYSA-N 0 1 376.468 3.363 20 0 GGADMN CCCC[N@@H+](C)c1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000821061675 1426896987 /nfs/dbraw/zinc/89/69/87/1426896987.db2.gz SCFYXDOAZFKNNW-UHFFFAOYSA-N 0 1 376.468 3.363 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000173936426 1426898751 /nfs/dbraw/zinc/89/87/51/1426898751.db2.gz GQMNMBZJESYWSI-SJORKVTESA-N 0 1 393.532 3.033 20 0 GGADMN Brc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823832857 1426905715 /nfs/dbraw/zinc/90/57/15/1426905715.db2.gz XAHJTRYESDUJRH-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1cccc([C@@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823832857 1426905718 /nfs/dbraw/zinc/90/57/18/1426905718.db2.gz XAHJTRYESDUJRH-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN COc1cc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2n1 ZINC000173953124 1426907152 /nfs/dbraw/zinc/90/71/52/1426907152.db2.gz WCMWXCNDNLGDBV-KRWDZBQOSA-N 0 1 384.505 3.407 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CNC(C)(C)c1nc(C)c(C)s1 ZINC000173954512 1426907733 /nfs/dbraw/zinc/90/77/33/1426907733.db2.gz OQNYXERFJYDRIC-MRXNPFEDSA-N 0 1 392.521 3.236 20 0 GGADMN COc1cccc(O[C@H](C)CNC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000173958880 1426909882 /nfs/dbraw/zinc/90/98/82/1426909882.db2.gz MJOFMPCSYUBXPA-VQIMIIECSA-N 0 1 387.480 3.192 20 0 GGADMN C[C@H](NCC(=O)NCC(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000173959438 1426910260 /nfs/dbraw/zinc/91/02/60/1426910260.db2.gz LORNPJNLVFXKFQ-ZDUSSCGKSA-N 0 1 379.382 3.268 20 0 GGADMN C[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)Oc1ccccc1F ZINC000173970237 1426915245 /nfs/dbraw/zinc/91/52/45/1426915245.db2.gz ZLMUXWDPTLQDFO-DOTOQJQBSA-N 0 1 375.444 3.322 20 0 GGADMN C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c2ccccc21 ZINC000820690195 1426915784 /nfs/dbraw/zinc/91/57/84/1426915784.db2.gz HHKBTKUAENQGFZ-YWZLYKJASA-N 0 1 389.507 3.459 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(C)=O)CC1CCN(c2ccccn2)CC1 ZINC000173971678 1426916411 /nfs/dbraw/zinc/91/64/11/1426916411.db2.gz ZUBRMSGSMAUJEW-UHFFFAOYSA-N 0 1 394.519 3.461 20 0 GGADMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000173971493 1426916555 /nfs/dbraw/zinc/91/65/55/1426916555.db2.gz VBPOPHBLYDVGSV-STQMWFEESA-N 0 1 393.409 3.206 20 0 GGADMN Cc1cccc(OCCNC(=O)CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000173975178 1426920078 /nfs/dbraw/zinc/92/00/78/1426920078.db2.gz SAWCUGXLVRGXFN-NRFANRHFSA-N 0 1 382.504 3.029 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1)C(C)C ZINC000736554945 1426920435 /nfs/dbraw/zinc/92/04/35/1426920435.db2.gz GJFJPSLKAACGGX-UHFFFAOYSA-N 0 1 382.443 3.488 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000736554945 1426920440 /nfs/dbraw/zinc/92/04/40/1426920440.db2.gz GJFJPSLKAACGGX-UHFFFAOYSA-N 0 1 382.443 3.488 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1)C(C)C ZINC000736554945 1426920443 /nfs/dbraw/zinc/92/04/43/1426920443.db2.gz GJFJPSLKAACGGX-UHFFFAOYSA-N 0 1 382.443 3.488 20 0 GGADMN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000173978730 1426922831 /nfs/dbraw/zinc/92/28/31/1426922831.db2.gz FHYNQKPPPZYWHQ-UHFFFAOYSA-N 0 1 388.424 3.148 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000173980861 1426924837 /nfs/dbraw/zinc/92/48/37/1426924837.db2.gz RYEVUMYDMNSOLM-GJZGRUSLSA-N 0 1 377.510 3.126 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000173984578 1426927304 /nfs/dbraw/zinc/92/73/04/1426927304.db2.gz ZRNAGFLSXGWESP-LJQANCHMSA-N 0 1 381.476 3.122 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820758752 1426932028 /nfs/dbraw/zinc/93/20/28/1426932028.db2.gz CNCBAYZJCQCXRF-YWZLYKJASA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820758752 1426932031 /nfs/dbraw/zinc/93/20/31/1426932031.db2.gz CNCBAYZJCQCXRF-YWZLYKJASA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820758752 1426932034 /nfs/dbraw/zinc/93/20/34/1426932034.db2.gz CNCBAYZJCQCXRF-YWZLYKJASA-N 0 1 380.471 3.006 20 0 GGADMN COC(=O)CCN(CC(=O)Nc1ccccc1-c1ccccc1)C1CCOCC1 ZINC000174000115 1426934990 /nfs/dbraw/zinc/93/49/90/1426934990.db2.gz HAOATVKMYMQLGA-UHFFFAOYSA-N 0 1 396.487 3.336 20 0 GGADMN COC(=O)CCN(Cc1c(C)nn(-c2ccccc2)c1Cl)C1CCOCC1 ZINC000174000162 1426935015 /nfs/dbraw/zinc/93/50/15/1426935015.db2.gz DMBOQXJJUNVPKR-UHFFFAOYSA-N 0 1 391.899 3.378 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1OCCn1ccnc1 ZINC000173999794 1426935485 /nfs/dbraw/zinc/93/54/85/1426935485.db2.gz UIOZAYNARYEOKV-UHFFFAOYSA-N 0 1 375.425 3.210 20 0 GGADMN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)cn1 ZINC000174004317 1426937726 /nfs/dbraw/zinc/93/77/26/1426937726.db2.gz FFVUYDIDRZPDBA-UHFFFAOYSA-N 0 1 386.477 3.056 20 0 GGADMN C[NH+](C)CCn1ccc2ccc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)cc21 ZINC000174007399 1426939560 /nfs/dbraw/zinc/93/95/60/1426939560.db2.gz NHHCEFQRZVXHAD-UHFFFAOYSA-N 0 1 397.422 3.421 20 0 GGADMN C[C@H](CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)N1CCc2ccccc2C1 ZINC000174010189 1426941335 /nfs/dbraw/zinc/94/13/35/1426941335.db2.gz KTWCOXSWVBEJIS-HUUCEWRRSA-N 0 1 385.512 3.174 20 0 GGADMN CCCOc1ccc(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000174011746 1426942517 /nfs/dbraw/zinc/94/25/17/1426942517.db2.gz PXMMVCNFTAHQJL-UHFFFAOYSA-N 0 1 381.520 3.153 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000174013704 1426943347 /nfs/dbraw/zinc/94/33/47/1426943347.db2.gz VZEIEMAOCKBFKJ-HRAATJIYSA-N 0 1 377.488 3.413 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccccc3CC(F)(F)F)C2)CC1 ZINC000174013427 1426943565 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381.501 3.316 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000174027202 1426953709 /nfs/dbraw/zinc/95/37/09/1426953709.db2.gz MCMRRGYNAMJPRT-QGZVFWFLSA-N 0 1 397.629 3.137 20 0 GGADMN CC(C)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@H]1C ZINC000824216180 1426953743 /nfs/dbraw/zinc/95/37/43/1426953743.db2.gz OTSRPWREXWFNIC-MNEFBYGVSA-N 0 1 383.544 3.281 20 0 GGADMN CCOc1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)ccc1OC ZINC000174031233 1426955033 /nfs/dbraw/zinc/95/50/33/1426955033.db2.gz NTKCLVYBLXMWLC-UHFFFAOYSA-N 0 1 383.492 3.094 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000174032207 1426955723 /nfs/dbraw/zinc/95/57/23/1426955723.db2.gz NYEATXBQWNYBDV-QGZVFWFLSA-N 0 1 391.533 3.431 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000174032799 1426956321 /nfs/dbraw/zinc/95/63/21/1426956321.db2.gz UHIHUOYCIUQICT-INIZCTEOSA-N 0 1 377.506 3.041 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NS(=O)(=O)c3cccc(F)c3F)n2)c1 ZINC000174033779 1426957232 /nfs/dbraw/zinc/95/72/32/1426957232.db2.gz XPBIBQMBJWXVLA-JTQLQIEISA-N 0 1 395.387 3.063 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN(C)[C@H](C)Cc1ccccc1OC ZINC000174034138 1426958259 /nfs/dbraw/zinc/95/82/59/1426958259.db2.gz ANWRKADCWXKKJZ-MRXNPFEDSA-N 0 1 384.476 3.008 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(C)cc2Br)cc1-c1nnn[n-]1 ZINC000826202993 1426958396 /nfs/dbraw/zinc/95/83/96/1426958396.db2.gz VSRFXGGVIHNCLH-UHFFFAOYSA-N 0 1 388.269 3.236 20 0 GGADMN Cc1ccnc(Oc2cc(NC(=O)N[C@@H](C)CN3CCN(C)CC3)ccc2C)c1 ZINC000174035287 1426958741 /nfs/dbraw/zinc/95/87/41/1426958741.db2.gz IARAZYSDWDFIFC-SFHVURJKSA-N 0 1 397.523 3.248 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C(C)(C)c3ccc(F)cc3)cc2)CC1 ZINC000174037465 1426960228 /nfs/dbraw/zinc/96/02/28/1426960228.db2.gz JXZUTBGWKJQCDD-UHFFFAOYSA-N 0 1 399.510 3.368 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821817954 1426960169 /nfs/dbraw/zinc/96/01/69/1426960169.db2.gz DJJTVMBHISDISV-UHFFFAOYSA-N 0 1 395.463 3.120 20 0 GGADMN CSc1ccccc1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174036766 1426960357 /nfs/dbraw/zinc/96/03/57/1426960357.db2.gz UWXNHCJNSMMXSP-UHFFFAOYSA-N 0 1 385.533 3.287 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000174038200 1426960952 /nfs/dbraw/zinc/96/09/52/1426960952.db2.gz LGTKYZDLICTDDY-UHFFFAOYSA-N 0 1 393.531 3.444 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000174037674 1426960979 /nfs/dbraw/zinc/96/09/79/1426960979.db2.gz YPMHSBBKBZAGKD-IBGZPJMESA-N 0 1 376.497 3.109 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(C(C)(C)C)no1 ZINC000174038660 1426962219 /nfs/dbraw/zinc/96/22/19/1426962219.db2.gz WCKMGJGVUQJLSS-ZETCQYMHSA-N 0 1 379.269 3.108 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000174039343 1426962236 /nfs/dbraw/zinc/96/22/36/1426962236.db2.gz SXBMUCLSINOOGO-KRWDZBQOSA-N 0 1 385.483 3.194 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1cccc(F)c1 ZINC000174039354 1426962291 /nfs/dbraw/zinc/96/22/91/1426962291.db2.gz SXBMUCLSINOOGO-QGZVFWFLSA-N 0 1 385.483 3.194 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H]3CSc4ccccc43)cc2)CC1 ZINC000174040658 1426964745 /nfs/dbraw/zinc/96/47/45/1426964745.db2.gz RVBCIOUGLHYIQY-HXUWFJFHSA-N 0 1 397.544 3.141 20 0 GGADMN CCCN(CCC)C(=O)c1ccc(NC(=O)CSc2nnc(C)[nH]2)cc1 ZINC000174042264 1426965740 /nfs/dbraw/zinc/96/57/40/1426965740.db2.gz JISOGBDWVOPWKZ-UHFFFAOYSA-N 0 1 375.498 3.106 20 0 GGADMN CCCN(CCC)C(=O)c1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1 ZINC000174042264 1426965745 /nfs/dbraw/zinc/96/57/45/1426965745.db2.gz JISOGBDWVOPWKZ-UHFFFAOYSA-N 0 1 375.498 3.106 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CC1 ZINC000174042785 1426965774 /nfs/dbraw/zinc/96/57/74/1426965774.db2.gz PZZVDDZWCNSXRG-UHFFFAOYSA-N 0 1 391.874 3.358 20 0 GGADMN CCC(CC)c1cc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)on1 ZINC000174042838 1426965799 /nfs/dbraw/zinc/96/57/99/1426965799.db2.gz NJLGWGTXGCKSEE-UHFFFAOYSA-N 0 1 386.477 3.044 20 0 GGADMN CCc1nsc(N2CCCN(CCCc3nc(-c4ccccc4)no3)CC2)n1 ZINC000174044751 1426968412 /nfs/dbraw/zinc/96/84/12/1426968412.db2.gz BPYINZQBMCUFPB-UHFFFAOYSA-N 0 1 398.536 3.295 20 0 GGADMN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174045818 1426969062 /nfs/dbraw/zinc/96/90/62/1426969062.db2.gz MCFPWSQVMNNAHY-SFHVURJKSA-N 0 1 399.510 3.269 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2)CC1 ZINC000174046757 1426970037 /nfs/dbraw/zinc/97/00/37/1426970037.db2.gz XWOYCOQILAAGGJ-UHFFFAOYSA-N 0 1 381.520 3.229 20 0 GGADMN COCCOc1ccccc1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051461 1426973082 /nfs/dbraw/zinc/97/30/82/1426973082.db2.gz NLYVXUDSMVMOMS-FQEVSTJZSA-N 0 1 382.504 3.448 20 0 GGADMN CN(C(=O)c1ccccc1N1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051261 1426973488 /nfs/dbraw/zinc/97/34/88/1426973488.db2.gz VOAVEHPQGHGAHM-OAQYLSRUSA-N 0 1 393.531 3.260 20 0 GGADMN CN(C(=O)c1cccnc1-n1cccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051130 1426973593 /nfs/dbraw/zinc/97/35/93/1426973593.db2.gz UHUKNJMQWJGNCT-LJQANCHMSA-N 0 1 375.476 3.004 20 0 GGADMN CCOc1ccccc1OCC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825658285 1426974052 /nfs/dbraw/zinc/97/40/52/1426974052.db2.gz CXJNDIDEHTUORA-UHFFFAOYSA-N 0 1 391.475 3.434 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820761576 1426977158 /nfs/dbraw/zinc/97/71/58/1426977158.db2.gz XYANYPQLTJZTOL-CJNGLKHVSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761576 1426977160 /nfs/dbraw/zinc/97/71/60/1426977160.db2.gz XYANYPQLTJZTOL-CJNGLKHVSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761576 1426977168 /nfs/dbraw/zinc/97/71/68/1426977168.db2.gz XYANYPQLTJZTOL-CJNGLKHVSA-N 0 1 383.887 3.238 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(-c4cnco4)cc3)cc2)CC1 ZINC000174059083 1426978893 /nfs/dbraw/zinc/97/88/93/1426978893.db2.gz NQJWSFASUCPZAE-UHFFFAOYSA-N 0 1 376.460 3.341 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c2)CC1 ZINC000174067975 1426984838 /nfs/dbraw/zinc/98/48/38/1426984838.db2.gz NYPQIYMZBMMVBE-UHFFFAOYSA-N 0 1 393.409 3.427 20 0 GGADMN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820235633 1426988799 /nfs/dbraw/zinc/98/87/99/1426988799.db2.gz TYZIQZQVMHBREY-FUHWJXTLSA-N 0 1 393.491 3.350 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000174074643 1426988939 /nfs/dbraw/zinc/98/89/39/1426988939.db2.gz ZFGJEJOLECBDNL-UHFFFAOYSA-N 0 1 376.338 3.036 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)[nH]1 ZINC000174080046 1426991778 /nfs/dbraw/zinc/99/17/78/1426991778.db2.gz KRBVEARUWOWAHZ-CQSZACIVSA-N 0 1 397.504 3.447 20 0 GGADMN CCOC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736590831 1426992526 /nfs/dbraw/zinc/99/25/26/1426992526.db2.gz LYYBUVDQSVVKLL-FQEVSTJZSA-N 0 1 391.475 3.006 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)[nH]1 ZINC000174094207 1426999225 /nfs/dbraw/zinc/99/92/25/1426999225.db2.gz COYQEYJRCVGGST-UHFFFAOYSA-N 0 1 387.509 3.024 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)n1 ZINC000174094207 1426999227 /nfs/dbraw/zinc/99/92/27/1426999227.db2.gz COYQEYJRCVGGST-UHFFFAOYSA-N 0 1 387.509 3.024 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)CC1 ZINC000174101778 1427002585 /nfs/dbraw/zinc/00/25/85/1427002585.db2.gz XUOJFFMNIKVKFB-UHFFFAOYSA-N 0 1 396.510 3.426 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000174101658 1427002679 /nfs/dbraw/zinc/00/26/79/1427002679.db2.gz GAGSVLWLZZNGKZ-UHFFFAOYSA-N 0 1 385.493 3.224 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)nc2)CC1 ZINC000174101455 1427002850 /nfs/dbraw/zinc/00/28/50/1427002850.db2.gz MTKFEUYVSWDAKQ-UHFFFAOYSA-N 0 1 379.508 3.076 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)C1 ZINC000174108936 1427005225 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383.887 3.014 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C12CCC2 ZINC000174118812 1427009583 /nfs/dbraw/zinc/00/95/83/1427009583.db2.gz KUQSWJJDBSLSJD-WOJBJXKFSA-N 0 1 389.515 3.437 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C12CCC2 ZINC000174118827 1427009731 /nfs/dbraw/zinc/00/97/31/1427009731.db2.gz KUQSWJJDBSLSJD-UXHICEINSA-N 0 1 389.515 3.437 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000174124220 1427011634 /nfs/dbraw/zinc/01/16/34/1427011634.db2.gz FBXOYOWCWWPTSN-PGRDOPGGSA-N 0 1 396.535 3.466 20 0 GGADMN NC(=NOCc1c(F)cccc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000174125755 1427012180 /nfs/dbraw/zinc/01/21/80/1427012180.db2.gz NHWDIDXRXIUHGY-UHFFFAOYSA-N 0 1 377.847 3.277 20 0 GGADMN NC(=NOCCOc1ccccc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000174125551 1427012203 /nfs/dbraw/zinc/01/22/03/1427012203.db2.gz SDFGISQTOQGVPX-UHFFFAOYSA-N 0 1 389.883 3.017 20 0 GGADMN CC[C@@H](CO)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000174129608 1427014446 /nfs/dbraw/zinc/01/44/46/1427014446.db2.gz YPZZVZHSTXUDAJ-CJNGLKHVSA-N 0 1 398.429 3.205 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000174130507 1427015246 /nfs/dbraw/zinc/01/52/46/1427015246.db2.gz WBTTZTPAVSSAEE-UHFFFAOYSA-N 0 1 394.519 3.373 20 0 GGADMN Cc1nnc(SCC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)[nH]1 ZINC000174135999 1427016873 /nfs/dbraw/zinc/01/68/73/1427016873.db2.gz XBFIXTGHSYUFEU-UHFFFAOYSA-N 0 1 395.488 3.082 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000174135999 1427016878 /nfs/dbraw/zinc/01/68/78/1427016878.db2.gz XBFIXTGHSYUFEU-UHFFFAOYSA-N 0 1 395.488 3.082 20 0 GGADMN CCCn1cc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)cn1 ZINC000174137062 1427017592 /nfs/dbraw/zinc/01/75/92/1427017592.db2.gz UBNNISOYTPHVIZ-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN c1nc(CC[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000738409503 1427018910 /nfs/dbraw/zinc/01/89/10/1427018910.db2.gz DAFSXRMQHLZMTN-UHFFFAOYSA-N 0 1 392.488 3.235 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC000174146712 1427021512 /nfs/dbraw/zinc/02/15/12/1427021512.db2.gz OAWFIMAYPDONEJ-KBPBESRZSA-N 0 1 382.526 3.173 20 0 GGADMN CC(=O)c1cccc(NC(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 ZINC000174150066 1427021907 /nfs/dbraw/zinc/02/19/07/1427021907.db2.gz OJEOJMYUHDRAPX-UHFFFAOYSA-N 0 1 396.491 3.159 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000174157613 1427024940 /nfs/dbraw/zinc/02/49/40/1427024940.db2.gz AXCOSHQWHLBDKF-HXUWFJFHSA-N 0 1 382.483 3.097 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000174159646 1427026087 /nfs/dbraw/zinc/02/60/87/1427026087.db2.gz ROLYOLMWWBAFAN-INIZCTEOSA-N 0 1 396.507 3.031 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)c1ccc(F)cc1 ZINC000174159157 1427026157 /nfs/dbraw/zinc/02/61/57/1427026157.db2.gz XOGLIWFYZLQLIH-OAQYLSRUSA-N 0 1 382.483 3.304 20 0 GGADMN O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826412438 1427028674 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0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000174167232 1427029216 /nfs/dbraw/zinc/02/92/16/1427029216.db2.gz SRVAFHUGRIRVAF-AWEZNQCLSA-N 0 1 389.569 3.351 20 0 GGADMN C[C@@H](CC(=O)N1CC[C@H](CN2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174169234 1427030940 /nfs/dbraw/zinc/03/09/40/1427030940.db2.gz NJTAYFCVMNWFSQ-JKSUJKDBSA-N 0 1 384.442 3.380 20 0 GGADMN CCCC[C@@H](NCc1cccc(NC(=O)N(C)C)c1)C(=O)Nc1cc(C)on1 ZINC000174172740 1427032086 /nfs/dbraw/zinc/03/20/86/1427032086.db2.gz SOMJLXJDXZOFDK-QGZVFWFLSA-N 0 1 387.484 3.364 20 0 GGADMN C[C@@H](CC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000174171124 1427032181 /nfs/dbraw/zinc/03/21/81/1427032181.db2.gz JRQMWFKTIBSWJD-HOTGVXAUSA-N 0 1 384.442 3.380 20 0 GGADMN O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174173409 1427032564 /nfs/dbraw/zinc/03/25/64/1427032564.db2.gz RSSFUAXEPDPGOP-QGZVFWFLSA-N 0 1 386.467 3.199 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174173760 1427032752 /nfs/dbraw/zinc/03/27/52/1427032752.db2.gz SSESDLCNNRISDO-LSDHHAIUSA-N 0 1 376.888 3.105 20 0 GGADMN Fc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826374625 1427038108 /nfs/dbraw/zinc/03/81/08/1427038108.db2.gz GLPTWXXARTZHBH-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN Fc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826374625 1427038115 /nfs/dbraw/zinc/03/81/15/1427038115.db2.gz GLPTWXXARTZHBH-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN Fc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826374625 1427038119 /nfs/dbraw/zinc/03/81/19/1427038119.db2.gz GLPTWXXARTZHBH-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN CC(C)C[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000174193601 1427043198 /nfs/dbraw/zinc/04/31/98/1427043198.db2.gz RAYLNDVBUYRAKE-KRWDZBQOSA-N 0 1 389.565 3.182 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[nH]1 ZINC000174194063 1427043390 /nfs/dbraw/zinc/04/33/90/1427043390.db2.gz SWBGLXDDGXOQNA-UHFFFAOYSA-N 0 1 387.509 3.249 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)n1 ZINC000174194063 1427043398 /nfs/dbraw/zinc/04/33/98/1427043398.db2.gz SWBGLXDDGXOQNA-UHFFFAOYSA-N 0 1 387.509 3.249 20 0 GGADMN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174193827 1427043726 /nfs/dbraw/zinc/04/37/26/1427043726.db2.gz DKUHXLICKBWGQD-UXHICEINSA-N 0 1 394.515 3.302 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820722962 1427048999 /nfs/dbraw/zinc/04/89/99/1427048999.db2.gz SGLHKTWWPLWQQP-WMLDXEAASA-N 0 1 380.452 3.262 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174206674 1427050555 /nfs/dbraw/zinc/05/05/55/1427050555.db2.gz BHZQTUTVEBUXMH-NVXWUHKLSA-N 0 1 384.442 3.065 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000174210252 1427052424 /nfs/dbraw/zinc/05/24/24/1427052424.db2.gz GWLCYWWLEKPECA-QGZVFWFLSA-N 0 1 399.878 3.301 20 0 GGADMN CCc1ccc(-c2nc(CC(=O)N3CC[C@@H](CN4CCOCC4)C3)cs2)cc1 ZINC000174212993 1427054191 /nfs/dbraw/zinc/05/41/91/1427054191.db2.gz QRKLAVIEQMXGLV-SFHVURJKSA-N 0 1 399.560 3.096 20 0 GGADMN COCCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000174214529 1427054394 /nfs/dbraw/zinc/05/43/94/1427054394.db2.gz SDDBZXQMCHWLDH-JOCHJYFZSA-N 0 1 382.504 3.383 20 0 GGADMN COCCOc1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000174214529 1427054404 /nfs/dbraw/zinc/05/44/04/1427054404.db2.gz SDDBZXQMCHWLDH-JOCHJYFZSA-N 0 1 382.504 3.383 20 0 GGADMN COCCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000174214514 1427054722 /nfs/dbraw/zinc/05/47/22/1427054722.db2.gz SDDBZXQMCHWLDH-QFIPXVFZSA-N 0 1 382.504 3.383 20 0 GGADMN COCCOc1ccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000174214514 1427054728 /nfs/dbraw/zinc/05/47/28/1427054728.db2.gz SDDBZXQMCHWLDH-QFIPXVFZSA-N 0 1 382.504 3.383 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@@H]1c1ccccc1 ZINC000174228734 1427060161 /nfs/dbraw/zinc/06/01/61/1427060161.db2.gz UPFCPCLMYQMPRP-YOEHRIQHSA-N 0 1 393.512 3.488 20 0 GGADMN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(Cl)cc(C)c3O)cc21 ZINC000174251468 1427070268 /nfs/dbraw/zinc/07/02/68/1427070268.db2.gz XGGCHKIGDFKYBJ-UHFFFAOYSA-N 0 1 394.880 3.454 20 0 GGADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000174256735 1427072592 /nfs/dbraw/zinc/07/25/92/1427072592.db2.gz UJXLPHFTROXCDB-UHFFFAOYSA-N 0 1 376.478 3.374 20 0 GGADMN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000174258631 1427073231 /nfs/dbraw/zinc/07/32/31/1427073231.db2.gz JNBNESCQNALCRA-UHFFFAOYSA-N 0 1 397.382 3.044 20 0 GGADMN O=C(NC1CC1)[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000174263912 1427075071 /nfs/dbraw/zinc/07/50/71/1427075071.db2.gz JMTNGMGITPKPMT-NRFANRHFSA-N 0 1 396.441 3.303 20 0 GGADMN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)N2CCCC2)o1 ZINC000826284278 1427076803 /nfs/dbraw/zinc/07/68/03/1427076803.db2.gz ORSLSBKJPUCGFK-KBXCAEBGSA-N 0 1 384.459 3.395 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000826184176 1427076990 /nfs/dbraw/zinc/07/69/90/1427076990.db2.gz NELCWFRUKGPJBC-FQEVSTJZSA-N 0 1 379.464 3.133 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3c(F)cc(F)cc3F)n2)cc1 ZINC000174271894 1427078666 /nfs/dbraw/zinc/07/86/66/1427078666.db2.gz HGCHQMSDCPIZPC-UHFFFAOYSA-N 0 1 377.326 3.219 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3c(F)cc(F)cc3F)n[nH]2)cc1 ZINC000174271894 1427078672 /nfs/dbraw/zinc/07/86/72/1427078672.db2.gz HGCHQMSDCPIZPC-UHFFFAOYSA-N 0 1 377.326 3.219 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820420337 1427078997 /nfs/dbraw/zinc/07/89/97/1427078997.db2.gz PDWQXROOGZBBCB-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN Cc1cc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c(OC(F)F)cc1C ZINC000174274490 1427078935 /nfs/dbraw/zinc/07/89/35/1427078935.db2.gz PRDALTYVLZVXFL-UHFFFAOYSA-N 0 1 398.475 3.445 20 0 GGADMN CSC1(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC000174275108 1427079769 /nfs/dbraw/zinc/07/97/69/1427079769.db2.gz DMUKTPFILFQSHL-SFHVURJKSA-N 0 1 390.593 3.358 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1c(F)cc(F)cc1F ZINC000174278530 1427081495 /nfs/dbraw/zinc/08/14/95/1427081495.db2.gz VAUSLCPOMFBQMH-UHFFFAOYSA-N 0 1 392.425 3.043 20 0 GGADMN C[C@@H](O)C[C@@H](C)CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000174279296 1427081758 /nfs/dbraw/zinc/08/17/58/1427081758.db2.gz USAKGMSUWGCZJJ-HUUCEWRRSA-N 0 1 391.537 3.143 20 0 GGADMN CCN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000174280546 1427082481 /nfs/dbraw/zinc/08/24/81/1427082481.db2.gz GGJYOYQWCLGLFP-NRFANRHFSA-N 0 1 391.533 3.223 20 0 GGADMN CN(C)c1ccc(N2CCC(NC(=O)c3cc(F)cc4nc[nH]c43)CC2)cc1 ZINC000174281275 1427083374 /nfs/dbraw/zinc/08/33/74/1427083374.db2.gz GQSYMYRJIJZKEL-UHFFFAOYSA-N 0 1 381.455 3.167 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CCS1 ZINC000174287157 1427086213 /nfs/dbraw/zinc/08/62/13/1427086213.db2.gz JLSBOYAHXAQURD-HNNXBMFYSA-N 0 1 377.535 3.049 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)ccc1C(F)(F)F ZINC000174288425 1427086555 /nfs/dbraw/zinc/08/65/55/1427086555.db2.gz KCYSMSHESVIONM-QGZVFWFLSA-N 0 1 386.462 3.407 20 0 GGADMN Cc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cnn1-c1ccc(F)cc1 ZINC000174291249 1427087865 /nfs/dbraw/zinc/08/78/65/1427087865.db2.gz HZGJBNSSLITXAL-UHFFFAOYSA-N 0 1 393.422 3.492 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H](C)CCOc3ccccc3)n2)cc1 ZINC000174292353 1427088271 /nfs/dbraw/zinc/08/82/71/1427088271.db2.gz FKHDBLRFKZLRRY-HNNXBMFYSA-N 0 1 380.448 3.202 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H](C)CCOc3ccccc3)n[nH]2)cc1 ZINC000174292353 1427088278 /nfs/dbraw/zinc/08/82/78/1427088278.db2.gz FKHDBLRFKZLRRY-HNNXBMFYSA-N 0 1 380.448 3.202 20 0 GGADMN Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC000826290335 1427090263 /nfs/dbraw/zinc/09/02/63/1427090263.db2.gz JVIJNHXHZRDLKY-INIZCTEOSA-N 0 1 390.491 3.480 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)c(C)c3)C2)CC1 ZINC000174299627 1427091420 /nfs/dbraw/zinc/09/14/20/1427091420.db2.gz HYPLRVGRVQIIMV-INIZCTEOSA-N 0 1 384.446 3.258 20 0 GGADMN Cc1cccn2c(CNCc3ccc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cnc12 ZINC000174306649 1427094053 /nfs/dbraw/zinc/09/40/53/1427094053.db2.gz UCTOAAYPAQFULX-HDICACEKSA-N 0 1 392.503 3.182 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCCN(CC(F)(F)F)CC1 ZINC000174309300 1427095052 /nfs/dbraw/zinc/09/50/52/1427095052.db2.gz VERZDLOGSILWEP-GOSISDBHSA-N 0 1 383.458 3.138 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)[nH]1 ZINC000174315347 1427097975 /nfs/dbraw/zinc/09/79/75/1427097975.db2.gz KXTIYSMXETYRMK-CYBMUJFWSA-N 0 1 387.509 3.167 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)n1 ZINC000174315347 1427097981 /nfs/dbraw/zinc/09/79/81/1427097981.db2.gz KXTIYSMXETYRMK-CYBMUJFWSA-N 0 1 387.509 3.167 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)[nH]1 ZINC000174315335 1427098075 /nfs/dbraw/zinc/09/80/75/1427098075.db2.gz KXTIYSMXETYRMK-ZDUSSCGKSA-N 0 1 387.509 3.167 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)n1 ZINC000174315335 1427098083 /nfs/dbraw/zinc/09/80/83/1427098083.db2.gz KXTIYSMXETYRMK-ZDUSSCGKSA-N 0 1 387.509 3.167 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1Br ZINC000174327530 1427103723 /nfs/dbraw/zinc/10/37/23/1427103723.db2.gz DPYSVACGJODXGL-UHFFFAOYSA-N 0 1 399.266 3.115 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCS[C@H](C(C)C)C2)c1 ZINC000174329306 1427104755 /nfs/dbraw/zinc/10/47/55/1427104755.db2.gz XBSFBIIXQIJTMQ-QUCCMNQESA-N 0 1 392.565 3.441 20 0 GGADMN COc1ccc(C[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821814043 1427105435 /nfs/dbraw/zinc/10/54/35/1427105435.db2.gz SMVMOJZKXFPHBJ-UHFFFAOYSA-N 0 1 381.480 3.341 20 0 GGADMN CN(Cc1nc(-c2ccc(N3CCCCC3)cc2)no1)c1ncnc2[nH]cnc21 ZINC000174332432 1427105481 /nfs/dbraw/zinc/10/54/81/1427105481.db2.gz XEYWKYFWSLKKNT-UHFFFAOYSA-N 0 1 390.451 3.030 20 0 GGADMN Fc1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cccc1-c1nn[n-]n1 ZINC000826370909 1427106988 /nfs/dbraw/zinc/10/69/88/1427106988.db2.gz LFOSIKPFRWESCC-LJQANCHMSA-N 0 1 381.411 3.018 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000174341125 1427110774 /nfs/dbraw/zinc/11/07/74/1427110774.db2.gz AXNKCHVLYJSTGG-WOJBJXKFSA-N 0 1 391.581 3.063 20 0 GGADMN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)[C@H](C)CO1 ZINC000174345671 1427112835 /nfs/dbraw/zinc/11/28/35/1427112835.db2.gz BOIMCEYVSNRPEL-ACJLOTCBSA-N 0 1 395.484 3.122 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000174349292 1427114571 /nfs/dbraw/zinc/11/45/71/1427114571.db2.gz SJEIVZXFKCLEBN-QZTJIDSGSA-N 0 1 398.594 3.415 20 0 GGADMN CCC[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C1 ZINC000174353020 1427116157 /nfs/dbraw/zinc/11/61/57/1427116157.db2.gz FUDYHCCZBRBLPU-FQEVSTJZSA-N 0 1 394.537 3.219 20 0 GGADMN CCC[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)C1 ZINC000174353008 1427116237 /nfs/dbraw/zinc/11/62/37/1427116237.db2.gz FUDYHCCZBRBLPU-HXUWFJFHSA-N 0 1 394.537 3.219 20 0 GGADMN Cc1cccc2c(N[C@@H](C)c3ccc([S@](C)=O)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826304571 1427117287 /nfs/dbraw/zinc/11/72/87/1427117287.db2.gz PYLGEMZTEMTAKC-OIJAAMDRSA-N 0 1 392.488 3.056 20 0 GGADMN C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824426731 1427117726 /nfs/dbraw/zinc/11/77/26/1427117726.db2.gz HBHIQUOYKMPCFK-UONOGXRCSA-N 0 1 375.436 3.371 20 0 GGADMN O=C(Nc1cccc2cccnc21)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000174358234 1427117985 /nfs/dbraw/zinc/11/79/85/1427117985.db2.gz IYWOXMAOWPASPH-TZIWHRDSSA-N 0 1 390.487 3.239 20 0 GGADMN CC[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCS1 ZINC000174361632 1427119992 /nfs/dbraw/zinc/11/99/92/1427119992.db2.gz WNPBPVJUZICQDB-ZWKOTPCHSA-N 0 1 390.549 3.339 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000174381337 1427129764 /nfs/dbraw/zinc/12/97/64/1427129764.db2.gz BDIBKSQFEVOALQ-GOEBONIOSA-N 0 1 386.496 3.305 20 0 GGADMN COc1ccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c(OC)c1 ZINC000174389889 1427134618 /nfs/dbraw/zinc/13/46/18/1427134618.db2.gz TUYUVXFUHWEJIY-UHFFFAOYSA-N 0 1 383.492 3.163 20 0 GGADMN CCCCC[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825272172 1427138387 /nfs/dbraw/zinc/13/83/87/1427138387.db2.gz YAZOGFLDCUFBTP-UHFFFAOYSA-N 0 1 378.480 3.011 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000174400139 1427139560 /nfs/dbraw/zinc/13/95/60/1427139560.db2.gz HCRPEPLIUGGNKD-UONOGXRCSA-N 0 1 391.562 3.208 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000826176244 1427143637 /nfs/dbraw/zinc/14/36/37/1427143637.db2.gz HOBFXEMICZXRIM-HXUWFJFHSA-N 0 1 379.464 3.303 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000174421669 1427150205 /nfs/dbraw/zinc/15/02/05/1427150205.db2.gz BQYFXBPWBPAJCX-SFHVURJKSA-N 0 1 390.487 3.315 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000820944779 1427153900 /nfs/dbraw/zinc/15/39/00/1427153900.db2.gz OBLGFKJCFWUSKA-MRXNPFEDSA-N 0 1 382.468 3.488 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3cnn(CC4CC4)c3)CC2)cc1 ZINC000174436578 1427155529 /nfs/dbraw/zinc/15/55/29/1427155529.db2.gz FUICWYDSNCFWAC-UHFFFAOYSA-N 0 1 383.496 3.042 20 0 GGADMN COC(=O)CCN(CC(=O)Nc1c(C)cccc1C(C)C)C1CCOCC1 ZINC000174443940 1427158213 /nfs/dbraw/zinc/15/82/13/1427158213.db2.gz TUIZRFDSIGSDPM-UHFFFAOYSA-N 0 1 376.497 3.101 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547712 1427163022 /nfs/dbraw/zinc/16/30/22/1427163022.db2.gz BVYARLAIOMAIJY-ADLMAVQZSA-N 0 1 398.442 3.237 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547712 1427163033 /nfs/dbraw/zinc/16/30/33/1427163033.db2.gz BVYARLAIOMAIJY-ADLMAVQZSA-N 0 1 398.442 3.237 20 0 GGADMN Cn1ccnc1SCc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)o1 ZINC000174454570 1427163315 /nfs/dbraw/zinc/16/33/15/1427163315.db2.gz YBKMXRQXUIINCC-UHFFFAOYSA-N 0 1 385.424 3.251 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000174456745 1427164870 /nfs/dbraw/zinc/16/48/70/1427164870.db2.gz ZAORMKXSFZTWQX-UHFFFAOYSA-N 0 1 393.422 3.376 20 0 GGADMN CC(=O)Nc1ccc(OC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000174459838 1427166326 /nfs/dbraw/zinc/16/63/26/1427166326.db2.gz BYZIANSSYWWEJN-UHFFFAOYSA-N 0 1 381.476 3.071 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000821803104 1427167325 /nfs/dbraw/zinc/16/73/25/1427167325.db2.gz BUQJCQFETUHTFR-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2cnn(CC3CC3)c2)N2CCCC2)cc1 ZINC000174461390 1427167425 /nfs/dbraw/zinc/16/74/25/1427167425.db2.gz WHCMUCJEYTVRID-FQEVSTJZSA-N 0 1 383.496 3.260 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000174470422 1427171219 /nfs/dbraw/zinc/17/12/19/1427171219.db2.gz POIXFYIGSYPKJK-LJQANCHMSA-N 0 1 385.418 3.145 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826332425 1427182570 /nfs/dbraw/zinc/18/25/70/1427182570.db2.gz UBHAWVBCSKXOPX-SFHVURJKSA-N 0 1 385.475 3.350 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826332425 1427182577 /nfs/dbraw/zinc/18/25/77/1427182577.db2.gz UBHAWVBCSKXOPX-SFHVURJKSA-N 0 1 385.475 3.350 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826332425 1427182583 /nfs/dbraw/zinc/18/25/83/1427182583.db2.gz UBHAWVBCSKXOPX-SFHVURJKSA-N 0 1 385.475 3.350 20 0 GGADMN Cc1nnc(SCC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)[nH]1 ZINC000174503731 1427189116 /nfs/dbraw/zinc/18/91/16/1427189116.db2.gz LLYQOJZLNMQNGG-UHFFFAOYSA-N 0 1 388.415 3.328 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)n1 ZINC000174503731 1427189124 /nfs/dbraw/zinc/18/91/24/1427189124.db2.gz LLYQOJZLNMQNGG-UHFFFAOYSA-N 0 1 388.415 3.328 20 0 GGADMN CCOc1ccc(C(=O)CCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000174505115 1427190480 /nfs/dbraw/zinc/19/04/80/1427190480.db2.gz QYVGOBDXFIBSHS-UHFFFAOYSA-N 0 1 383.423 3.423 20 0 GGADMN CCc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccccc1 ZINC000174507788 1427191124 /nfs/dbraw/zinc/19/11/24/1427191124.db2.gz VKGIJDNPCKGQSE-UHFFFAOYSA-N 0 1 377.423 3.423 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174509457 1427192088 /nfs/dbraw/zinc/19/20/88/1427192088.db2.gz AFDWERYIEGUNQC-FQEVSTJZSA-N 0 1 392.434 3.325 20 0 GGADMN Cc1cccc(O[C@H](C)CNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000174510151 1427192644 /nfs/dbraw/zinc/19/26/44/1427192644.db2.gz NSWDNOAUKPLLHA-OAHLLOKOSA-N 0 1 397.500 3.341 20 0 GGADMN CC1CCN([C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c2cccs2)CC1 ZINC000824953116 1427193516 /nfs/dbraw/zinc/19/35/16/1427193516.db2.gz CCSROYRXACBLDH-GOSISDBHSA-N 0 1 382.537 3.491 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174511361 1427193893 /nfs/dbraw/zinc/19/38/93/1427193893.db2.gz JBIPBSSZWUHRBA-UHFFFAOYSA-N 0 1 380.427 3.309 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccnc1OCC(F)(F)F ZINC000174513007 1427194299 /nfs/dbraw/zinc/19/42/99/1427194299.db2.gz ATHNZFKNWUSYRZ-UHFFFAOYSA-N 0 1 382.317 3.011 20 0 GGADMN O=C(CCc1nnc(-c2ccsc2)o1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174512952 1427194358 /nfs/dbraw/zinc/19/43/58/1427194358.db2.gz IQPSNAHQCLWMFG-UHFFFAOYSA-N 0 1 385.424 3.105 20 0 GGADMN Cc1ccc(C(=O)N[C@H](C(=O)NCCc2nc3ccc(F)cc3[nH]2)C(C)C)cc1 ZINC000174512332 1427194599 /nfs/dbraw/zinc/19/45/99/1427194599.db2.gz ASAMMTKHNSDTJX-FQEVSTJZSA-N 0 1 396.466 3.124 20 0 GGADMN O=C(Cc1csc(-c2ccccn2)n1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174512599 1427194870 /nfs/dbraw/zinc/19/48/70/1427194870.db2.gz BLPZSTQCUYCQDW-UHFFFAOYSA-N 0 1 381.436 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000174515359 1427196285 /nfs/dbraw/zinc/19/62/85/1427196285.db2.gz DIZVUJSGAYNOLH-UHFFFAOYSA-N 0 1 390.459 3.008 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1ccn[nH]1)CC2 ZINC000174517325 1427197057 /nfs/dbraw/zinc/19/70/57/1427197057.db2.gz QYWKLKGOTLDLCE-JOCHJYFZSA-N 0 1 377.444 3.144 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)s1 ZINC000174519698 1427199335 /nfs/dbraw/zinc/19/93/35/1427199335.db2.gz LIGVUURMULVMMX-JTQLQIEISA-N 0 1 388.518 3.372 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000174522473 1427201764 /nfs/dbraw/zinc/20/17/64/1427201764.db2.gz DEEBRJVGCWYEDO-UHFFFAOYSA-N 0 1 376.416 3.230 20 0 GGADMN CCc1nsc(N2CCCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 ZINC000174522541 1427201837 /nfs/dbraw/zinc/20/18/37/1427201837.db2.gz OLJUWSLMKRRQMV-UHFFFAOYSA-N 0 1 399.564 3.049 20 0 GGADMN C[C@](O)(CNCc1nc(-c2cccc(Br)c2)c[nH]1)c1ccco1 ZINC000174528108 1427205316 /nfs/dbraw/zinc/20/53/16/1427205316.db2.gz VWXYLBZFKNSPMD-KRWDZBQOSA-N 0 1 376.254 3.430 20 0 GGADMN C[C@@](O)(CNCc1nc(-c2cccc(Br)c2)c[nH]1)c1ccco1 ZINC000174528095 1427205484 /nfs/dbraw/zinc/20/54/84/1427205484.db2.gz VWXYLBZFKNSPMD-QGZVFWFLSA-N 0 1 376.254 3.430 20 0 GGADMN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000174528899 1427205613 /nfs/dbraw/zinc/20/56/13/1427205613.db2.gz SMTFVMWAQFKXGI-MRXNPFEDSA-N 0 1 388.493 3.438 20 0 GGADMN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000174528887 1427205708 /nfs/dbraw/zinc/20/57/08/1427205708.db2.gz SMTFVMWAQFKXGI-INIZCTEOSA-N 0 1 388.493 3.438 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@H](CC)C1 ZINC000174537997 1427210113 /nfs/dbraw/zinc/21/01/13/1427210113.db2.gz OMJRFHONCPAYQD-QGZVFWFLSA-N 0 1 392.569 3.196 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000174542585 1427214016 /nfs/dbraw/zinc/21/40/16/1427214016.db2.gz STQQDQLEYPMRCF-KRWDZBQOSA-N 0 1 397.523 3.457 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cccc(OC)c1 ZINC000174542948 1427214223 /nfs/dbraw/zinc/21/42/23/1427214223.db2.gz QELLUSIAIIYVBS-UHFFFAOYSA-N 0 1 398.507 3.167 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@H](C)c1nnc[nH]1 ZINC000174544027 1427215047 /nfs/dbraw/zinc/21/50/47/1427215047.db2.gz GVMZGNPNVCYZPA-SNVBAGLBSA-N 0 1 393.278 3.334 20 0 GGADMN COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1-c1nnn[n-]1 ZINC000826194390 1427216600 /nfs/dbraw/zinc/21/66/00/1427216600.db2.gz KTZQYXXPNWAVRX-WMZOPIPTSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826194390 1427216604 /nfs/dbraw/zinc/21/66/04/1427216604.db2.gz KTZQYXXPNWAVRX-WMZOPIPTSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826194390 1427216609 /nfs/dbraw/zinc/21/66/09/1427216609.db2.gz KTZQYXXPNWAVRX-WMZOPIPTSA-N 0 1 397.479 3.337 20 0 GGADMN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)c1nnc[nH]1 ZINC000174561579 1427225112 /nfs/dbraw/zinc/22/51/12/1427225112.db2.gz RFNFJXCZVQWBEM-LLVKDONJSA-N 0 1 381.465 3.350 20 0 GGADMN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174561565 1427225355 /nfs/dbraw/zinc/22/53/55/1427225355.db2.gz RFNFJXCZVQWBEM-NSHDSACASA-N 0 1 381.465 3.350 20 0 GGADMN CN1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)C2(CCCCC2)C1 ZINC000174567570 1427228379 /nfs/dbraw/zinc/22/83/79/1427228379.db2.gz UCEVREUNLRSUDX-UHFFFAOYSA-N 0 1 399.535 3.207 20 0 GGADMN CC(C)n1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC000174569452 1427230705 /nfs/dbraw/zinc/23/07/05/1427230705.db2.gz YZQJFCZQOKCVHL-QGZVFWFLSA-N 0 1 378.423 3.351 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569507 1427230812 /nfs/dbraw/zinc/23/08/12/1427230812.db2.gz QEQIXMIEVWBAPI-IXDOHACOSA-N 0 1 376.520 3.469 20 0 GGADMN CN1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C2(CCCCC2)C1 ZINC000174569967 1427231361 /nfs/dbraw/zinc/23/13/61/1427231361.db2.gz IUGQXGLKIUBEKW-UHFFFAOYSA-N 0 1 392.503 3.424 20 0 GGADMN CCSCC[C@@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174570194 1427231771 /nfs/dbraw/zinc/23/17/71/1427231771.db2.gz USUAEZYDPPTTKL-CVEARBPZSA-N 0 1 396.576 3.469 20 0 GGADMN CCSCC[C@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174570236 1427231828 /nfs/dbraw/zinc/23/18/28/1427231828.db2.gz USUAEZYDPPTTKL-JKSUJKDBSA-N 0 1 396.576 3.469 20 0 GGADMN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccco2)n[nH]1 ZINC000174572028 1427232247 /nfs/dbraw/zinc/23/22/47/1427232247.db2.gz FDYUSBLTQNBYSI-UHFFFAOYSA-N 0 1 384.783 3.339 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCC(C)(C)SC)CC1 ZINC000174570779 1427232459 /nfs/dbraw/zinc/23/24/59/1427232459.db2.gz HIJUBHKKTPKHDZ-HNNXBMFYSA-N 0 1 396.576 3.469 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000174572336 1427233035 /nfs/dbraw/zinc/23/30/35/1427233035.db2.gz HUTKQYGNIXYNIU-UHFFFAOYSA-N 0 1 399.564 3.393 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[N@H+](C)CC23CCCCC3)c1 ZINC000174572336 1427233041 /nfs/dbraw/zinc/23/30/41/1427233041.db2.gz HUTKQYGNIXYNIU-UHFFFAOYSA-N 0 1 399.564 3.393 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)Sc1ccccc1 ZINC000174573463 1427234051 /nfs/dbraw/zinc/23/40/51/1427234051.db2.gz RAZYPIIWWNSENN-SFHVURJKSA-N 0 1 383.561 3.345 20 0 GGADMN COCc1cnc(C[NH2+]Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)s1 ZINC000826165159 1427236157 /nfs/dbraw/zinc/23/61/57/1427236157.db2.gz ICBBATOOGKYDJK-UHFFFAOYSA-N 0 1 392.488 3.426 20 0 GGADMN Cn1ccc2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc21 ZINC000174579061 1427237467 /nfs/dbraw/zinc/23/74/67/1427237467.db2.gz HMFSQFRQCKNEDI-OAQYLSRUSA-N 0 1 390.487 3.070 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174579307 1427237859 /nfs/dbraw/zinc/23/78/59/1427237859.db2.gz SHMXSPKZDDBFBF-KRWDZBQOSA-N 0 1 382.489 3.121 20 0 GGADMN COc1ccc(C[NH2+]CCc2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000821813974 1427242898 /nfs/dbraw/zinc/24/28/98/1427242898.db2.gz QPDIXSKABJZLLJ-UHFFFAOYSA-N 0 1 394.298 3.032 20 0 GGADMN Cc1cc(F)ccc1-c1ccc(CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)o1 ZINC000174588502 1427243682 /nfs/dbraw/zinc/24/36/82/1427243682.db2.gz PCPFGGGTRRVRKH-GOSISDBHSA-N 0 1 382.439 3.413 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1=CCCCO1 ZINC000174601961 1427252740 /nfs/dbraw/zinc/25/27/40/1427252740.db2.gz PGBUSRQQJUFDSB-UHFFFAOYSA-N 0 1 397.441 3.028 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CCN1C[C@@H](C)O ZINC000174603668 1427253628 /nfs/dbraw/zinc/25/36/28/1427253628.db2.gz ZHGUKQYPUHZNQV-RHSMWYFYSA-N 0 1 385.483 3.169 20 0 GGADMN COc1ccccc1C(C)(C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000174603328 1427253651 /nfs/dbraw/zinc/25/36/51/1427253651.db2.gz DZXBAVMEFTWIRP-UHFFFAOYSA-N 0 1 381.520 3.108 20 0 GGADMN Cc1nc(SCCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)n[nH]1 ZINC000174603704 1427254241 /nfs/dbraw/zinc/25/42/41/1427254241.db2.gz RBOXEAUPCZKBNU-UHFFFAOYSA-N 0 1 395.532 3.093 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)NCCC3=CCCCC3)C2)nc1 ZINC000174603959 1427254454 /nfs/dbraw/zinc/25/44/54/1427254454.db2.gz VPJIOVYWDRZGSF-LJQANCHMSA-N 0 1 384.524 3.047 20 0 GGADMN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)ccc1Br ZINC000174612920 1427262157 /nfs/dbraw/zinc/26/21/57/1427262157.db2.gz ZOXJAKBEXGORLN-NSHDSACASA-N 0 1 375.675 3.068 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@H](C)C(=O)c3cccc(F)c3)n2)cc1 ZINC000174625255 1427271796 /nfs/dbraw/zinc/27/17/96/1427271796.db2.gz AIQLLZATMOJMGB-ZDUSSCGKSA-N 0 1 396.422 3.145 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@H](C)C(=O)c3cccc(F)c3)n[nH]2)cc1 ZINC000174625255 1427271804 /nfs/dbraw/zinc/27/18/04/1427271804.db2.gz AIQLLZATMOJMGB-ZDUSSCGKSA-N 0 1 396.422 3.145 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCCCC[C@H]1c1ccncc1 ZINC000174638690 1427280405 /nfs/dbraw/zinc/28/04/05/1427280405.db2.gz JJQDDWRBJQPVBM-NRFANRHFSA-N 0 1 393.535 3.133 20 0 GGADMN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000174637187 1427280448 /nfs/dbraw/zinc/28/04/48/1427280448.db2.gz MZTXEPUAQVJYBM-FQEVSTJZSA-N 0 1 376.460 3.060 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(F)cc4nc[nH]c43)n2)c1 ZINC000174645291 1427284962 /nfs/dbraw/zinc/28/49/62/1427284962.db2.gz DHKBPLWNMLFEPP-SNVBAGLBSA-N 0 1 381.367 3.252 20 0 GGADMN CN(CC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)c1ncnc2[nH]cnc21 ZINC000174649537 1427286857 /nfs/dbraw/zinc/28/68/57/1427286857.db2.gz YQTLGOQPNOUZIN-LJQANCHMSA-N 0 1 398.470 3.115 20 0 GGADMN CCOC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000174649886 1427287353 /nfs/dbraw/zinc/28/73/53/1427287353.db2.gz MBQOYFILOHCACA-UHFFFAOYSA-N 0 1 396.491 3.255 20 0 GGADMN CN1CCN(CCOc2ccc(NCC3=Cc4ccccc4OC3)cc2)CC1 ZINC000174653181 1427289668 /nfs/dbraw/zinc/28/96/68/1427289668.db2.gz VGDAHJAGTVZZGR-UHFFFAOYSA-N 0 1 379.504 3.201 20 0 GGADMN COc1ccc(OC)c(CN2CCN(CCC(=O)Nc3ccccc3C)CC2)c1 ZINC000174657735 1427292270 /nfs/dbraw/zinc/29/22/70/1427292270.db2.gz KBAJCRBKJUCEAW-UHFFFAOYSA-N 0 1 397.519 3.159 20 0 GGADMN CN(CCCCNC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccccc1 ZINC000174658907 1427293145 /nfs/dbraw/zinc/29/31/45/1427293145.db2.gz XNRITBQPVFWLSY-UHFFFAOYSA-N 0 1 394.563 3.080 20 0 GGADMN Cc1nnc(SCCC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)[nH]1 ZINC000174660536 1427293604 /nfs/dbraw/zinc/29/36/04/1427293604.db2.gz QVAGNILCNOMOOL-UHFFFAOYSA-N 0 1 394.928 3.113 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000174678424 1427305403 /nfs/dbraw/zinc/30/54/03/1427305403.db2.gz GIASIAWSYZBGIZ-NRFANRHFSA-N 0 1 380.492 3.184 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000174679942 1427306467 /nfs/dbraw/zinc/30/64/67/1427306467.db2.gz QWDJGBXZQSPZEY-NRFANRHFSA-N 0 1 380.492 3.184 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1S(N)(=O)=O ZINC000174681187 1427307073 /nfs/dbraw/zinc/30/70/73/1427307073.db2.gz XJOMGBPAULBBAW-UHFFFAOYSA-N 0 1 384.461 3.039 20 0 GGADMN CN(Cc1cc2ccccc2o1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174689323 1427310984 /nfs/dbraw/zinc/31/09/84/1427310984.db2.gz ASHSHLBGLBYZFT-UHFFFAOYSA-N 0 1 377.488 3.452 20 0 GGADMN Cc1nnc(SCCC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)[nH]1 ZINC000174689657 1427311367 /nfs/dbraw/zinc/31/13/67/1427311367.db2.gz VHPCQENRZUKPRZ-AWEZNQCLSA-N 0 1 393.944 3.200 20 0 GGADMN CC1(C)C[C@H](NCc2ccc(-c3nn[n-]n3)cc2F)C[N@H+]1Cc1ccccc1 ZINC000824791007 1427311409 /nfs/dbraw/zinc/31/14/09/1427311409.db2.gz VHPGULARWAKDOE-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H](NCc2ccc(-c3nnn[n-]3)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000824791007 1427311415 /nfs/dbraw/zinc/31/14/15/1427311415.db2.gz VHPGULARWAKDOE-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H](NCc2ccc(-c3nnn[n-]3)cc2F)C[N@H+]1Cc1ccccc1 ZINC000824791007 1427311418 /nfs/dbraw/zinc/31/14/18/1427311418.db2.gz VHPGULARWAKDOE-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CN1Cc1ccccc1 ZINC000824791007 1427311422 /nfs/dbraw/zinc/31/14/22/1427311422.db2.gz VHPGULARWAKDOE-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CN1Cc1ccccc1 ZINC000824791007 1427311430 /nfs/dbraw/zinc/31/14/30/1427311430.db2.gz VHPGULARWAKDOE-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN Cc1nnc(SCC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)[nH]1 ZINC000174691467 1427312196 /nfs/dbraw/zinc/31/21/96/1427312196.db2.gz GAEUHDVNAMRRIO-CQSZACIVSA-N 0 1 384.465 3.009 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)n1 ZINC000174691467 1427312204 /nfs/dbraw/zinc/31/22/04/1427312204.db2.gz GAEUHDVNAMRRIO-CQSZACIVSA-N 0 1 384.465 3.009 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000174693199 1427313462 /nfs/dbraw/zinc/31/34/62/1427313462.db2.gz UBLPXQZBBUAXCK-IFXJQAMLSA-N 0 1 394.450 3.432 20 0 GGADMN CN(Cc1cc2ccccc2o1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000174693579 1427313878 /nfs/dbraw/zinc/31/38/78/1427313878.db2.gz HYOSCGUGURBCMZ-UHFFFAOYSA-N 0 1 377.488 3.452 20 0 GGADMN Cc1nnc(SCC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]1 ZINC000174695878 1427314759 /nfs/dbraw/zinc/31/47/59/1427314759.db2.gz AUGHEMJOAASKNC-UHFFFAOYSA-N 0 1 378.461 3.065 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)n1 ZINC000174695878 1427314766 /nfs/dbraw/zinc/31/47/66/1427314766.db2.gz AUGHEMJOAASKNC-UHFFFAOYSA-N 0 1 378.461 3.065 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]1 ZINC000174695949 1427314941 /nfs/dbraw/zinc/31/49/41/1427314941.db2.gz RHJLBLVFKJVBLU-UHFFFAOYSA-N 0 1 392.488 3.455 20 0 GGADMN CN(Cc1cc2ccccc2o1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000174696663 1427315936 /nfs/dbraw/zinc/31/59/36/1427315936.db2.gz GWLBXONLTWJKBM-UHFFFAOYSA-N 0 1 376.416 3.088 20 0 GGADMN Cc1cc(N2CCN(CCC(=O)Nc3ccccc3C)CC2)nc(C(C)C)n1 ZINC000174698052 1427316176 /nfs/dbraw/zinc/31/61/76/1427316176.db2.gz FLOHEIORQQXUBA-UHFFFAOYSA-N 0 1 381.524 3.368 20 0 GGADMN COc1cccc(NC(=O)CCN2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000174698034 1427316408 /nfs/dbraw/zinc/31/64/08/1427316408.db2.gz MZUQQKBKSFIERA-UHFFFAOYSA-N 0 1 397.523 3.068 20 0 GGADMN COc1cc(Cl)ccc1CNC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174703335 1427319178 /nfs/dbraw/zinc/31/91/78/1427319178.db2.gz YIKLLXWIBDMGJF-UHFFFAOYSA-N 0 1 387.911 3.026 20 0 GGADMN c1cc(C[NH2+]CC[C@@H]2CCCCO2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826515696 1427319394 /nfs/dbraw/zinc/31/93/94/1427319394.db2.gz HTRIGMCUKFZXFQ-FQEVSTJZSA-N 0 1 393.491 3.495 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccccc2NC(=O)Cc2cccs2)[nH]1 ZINC000174704818 1427319745 /nfs/dbraw/zinc/31/97/45/1427319745.db2.gz GOMVQPGLUXMEFP-UHFFFAOYSA-N 0 1 387.490 3.087 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccccc2NC(=O)Cc2cccs2)n1 ZINC000174704818 1427319748 /nfs/dbraw/zinc/31/97/48/1427319748.db2.gz GOMVQPGLUXMEFP-UHFFFAOYSA-N 0 1 387.490 3.087 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000174706761 1427321105 /nfs/dbraw/zinc/32/11/05/1427321105.db2.gz PZSCUDGVLPPRDL-UHFFFAOYSA-N 0 1 378.432 3.476 20 0 GGADMN Cn1c(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)nc2c1cccc2F ZINC000174707958 1427321543 /nfs/dbraw/zinc/32/15/43/1427321543.db2.gz LQPUGANVJHNSMJ-HXUWFJFHSA-N 0 1 394.494 3.426 20 0 GGADMN Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1cccc(F)c1C ZINC000174708133 1427322439 /nfs/dbraw/zinc/32/24/39/1427322439.db2.gz XWIDOCKDODHRLE-UHFFFAOYSA-N 0 1 376.413 3.164 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000174709912 1427323319 /nfs/dbraw/zinc/32/33/19/1427323319.db2.gz PYEQECAZRQWWFL-QGZVFWFLSA-N 0 1 375.513 3.071 20 0 GGADMN CCN(CC)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c[nH+]1 ZINC000736531710 1427325869 /nfs/dbraw/zinc/32/58/69/1427325869.db2.gz IGQFGGTWVQDNOS-UHFFFAOYSA-N 0 1 392.389 3.134 20 0 GGADMN COc1ccc2[nH]cc(CCNc3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc34)c2c1 ZINC000821850078 1427327309 /nfs/dbraw/zinc/32/73/09/1427327309.db2.gz WQTDZBGZRRCZFT-UHFFFAOYSA-N 0 1 399.458 3.290 20 0 GGADMN Cc1csc(C(C)(C)NC(=O)CCN2CCN(c3cccc(C)c3)CC2)n1 ZINC000174729550 1427335331 /nfs/dbraw/zinc/33/53/31/1427335331.db2.gz HEBGOKZQOVJLIZ-UHFFFAOYSA-N 0 1 386.565 3.324 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)[nH]1 ZINC000174734925 1427339222 /nfs/dbraw/zinc/33/92/22/1427339222.db2.gz WHJMJRUDWHGNFF-UHFFFAOYSA-N 0 1 395.467 3.054 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc2=O)cc1 ZINC000174737932 1427340264 /nfs/dbraw/zinc/34/02/64/1427340264.db2.gz AXJIEQCSHROVLV-UHFFFAOYSA-N 0 1 396.535 3.202 20 0 GGADMN CCCn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cn1 ZINC000174745379 1427345142 /nfs/dbraw/zinc/34/51/42/1427345142.db2.gz ULIGFXBXIJCKDQ-UHFFFAOYSA-N 0 1 380.214 3.135 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000736198065 1427349136 /nfs/dbraw/zinc/34/91/36/1427349136.db2.gz QEEFGGWGVYABBL-AWEZNQCLSA-N 0 1 386.500 3.259 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000174782856 1427364043 /nfs/dbraw/zinc/36/40/43/1427364043.db2.gz RAGYSQWYADFNHE-INIZCTEOSA-N 0 1 394.510 3.055 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(OC)cc1 ZINC000821094719 1427375351 /nfs/dbraw/zinc/37/53/51/1427375351.db2.gz OULLVLXVCJPIJF-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)cc1 ZINC000821094719 1427375358 /nfs/dbraw/zinc/37/53/58/1427375358.db2.gz OULLVLXVCJPIJF-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)cc1 ZINC000821094719 1427375362 /nfs/dbraw/zinc/37/53/62/1427375362.db2.gz OULLVLXVCJPIJF-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN Cc1ccc2nc(-c3ccc(NC(=O)CN(C)Cc4nnc[nH]4)cc3)sc2c1 ZINC000174809321 1427380461 /nfs/dbraw/zinc/38/04/61/1427380461.db2.gz OAFKZHCRKFTQLA-UHFFFAOYSA-N 0 1 392.488 3.460 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)N2CCCC2)cc1 ZINC000174811585 1427381867 /nfs/dbraw/zinc/38/18/67/1427381867.db2.gz SYVYGSWCPKZORO-OAQYLSRUSA-N 0 1 390.487 3.368 20 0 GGADMN CCCOc1ccc(C[N@@H+](CCC)Cc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000825339197 1427382709 /nfs/dbraw/zinc/38/27/09/1427382709.db2.gz RFHMDWOMWDSGTO-UHFFFAOYSA-N 0 1 396.495 3.471 20 0 GGADMN CCCOc1ccc(C[N@H+](CCC)Cc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000825339197 1427382716 /nfs/dbraw/zinc/38/27/16/1427382716.db2.gz RFHMDWOMWDSGTO-UHFFFAOYSA-N 0 1 396.495 3.471 20 0 GGADMN CCCOc1ccc(C[N@@H+](CCC)Cc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000825339197 1427382718 /nfs/dbraw/zinc/38/27/18/1427382718.db2.gz RFHMDWOMWDSGTO-UHFFFAOYSA-N 0 1 396.495 3.471 20 0 GGADMN Cc1cc(C(=O)CN(C)Cc2nnc[nH]2)c(C)n1CCc1ccc(Cl)cc1 ZINC000174816848 1427384369 /nfs/dbraw/zinc/38/43/69/1427384369.db2.gz RTZYDOHSSDDJNJ-UHFFFAOYSA-N 0 1 385.899 3.434 20 0 GGADMN O=C(NCCCc1nnc2n1CCCCC2)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174835732 1427395318 /nfs/dbraw/zinc/39/53/18/1427395318.db2.gz MDKOPXUPRQBMKG-FQEVSTJZSA-N 0 1 395.551 3.108 20 0 GGADMN O=C(NCCCc1nnc2n1CCCCC2)[C@H]1CCCCN1Cc1ccccc1 ZINC000174835722 1427395481 /nfs/dbraw/zinc/39/54/81/1427395481.db2.gz MDKOPXUPRQBMKG-HXUWFJFHSA-N 0 1 395.551 3.108 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(OCC2CC2)cc1 ZINC000174836474 1427396141 /nfs/dbraw/zinc/39/61/41/1427396141.db2.gz BPYONVGWNIAQFV-UHFFFAOYSA-N 0 1 380.492 3.021 20 0 GGADMN C[C@@H]1CCCCN1C(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000174840163 1427398758 /nfs/dbraw/zinc/39/87/58/1427398758.db2.gz WTFCRFNDYASMSN-WBVHZDCISA-N 0 1 386.471 3.456 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCC[C@H]2CN2CCCC2)cc1 ZINC000174848131 1427405042 /nfs/dbraw/zinc/40/50/42/1427405042.db2.gz OFIFSIDLDDWXCN-IBGZPJMESA-N 0 1 378.582 3.318 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cnn(CC(F)F)c2)N2CCCC2)c1 ZINC000174849092 1427405613 /nfs/dbraw/zinc/40/56/13/1427405613.db2.gz XREMXHQKNSLHOK-QGZVFWFLSA-N 0 1 393.438 3.115 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cnn(CC(F)F)c2)N2CCCC2)c1 ZINC000174849102 1427405663 /nfs/dbraw/zinc/40/56/63/1427405663.db2.gz XREMXHQKNSLHOK-KRWDZBQOSA-N 0 1 393.438 3.115 20 0 GGADMN FC(F)(F)c1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1-c1nnn[n-]1 ZINC000737630968 1427407956 /nfs/dbraw/zinc/40/79/56/1427407956.db2.gz AASGAWBPTNABKY-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN FC(F)(F)c1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000737630968 1427407958 /nfs/dbraw/zinc/40/79/58/1427407958.db2.gz AASGAWBPTNABKY-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN FC(F)(F)c1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000737630968 1427407962 /nfs/dbraw/zinc/40/79/62/1427407962.db2.gz AASGAWBPTNABKY-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821189659 1427416979 /nfs/dbraw/zinc/41/69/79/1427416979.db2.gz RFSRQZUWJWIRJR-UHFFFAOYSA-N 0 1 397.961 3.387 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)N[C@H](c1nc(C)cs1)C1CC1)N1CCOCC1 ZINC000174867253 1427417777 /nfs/dbraw/zinc/41/77/77/1427417777.db2.gz OWJTUGVUUUPLFQ-MSOLQXFVSA-N 0 1 394.585 3.339 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)N1CCOCC1 ZINC000174867742 1427417831 /nfs/dbraw/zinc/41/78/31/1427417831.db2.gz VLVHIRDGKYESBK-ZWKOTPCHSA-N 0 1 394.585 3.339 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3nn(C(C)C)c(=O)c4ccccc43)[nH]c2c1 ZINC000174867744 1427418111 /nfs/dbraw/zinc/41/81/11/1427418111.db2.gz AHTYHTZGIBOREV-UHFFFAOYSA-N 0 1 375.432 3.092 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CSc4nc[nH]n4)cc3)[nH]c2c1 ZINC000174868425 1427418593 /nfs/dbraw/zinc/41/85/93/1427418593.db2.gz HMODDRCTVKBIBO-UHFFFAOYSA-N 0 1 378.461 3.212 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1ccccc1Cl ZINC000174875782 1427421690 /nfs/dbraw/zinc/42/16/90/1427421690.db2.gz KHSVQIBDLSFVBI-UHFFFAOYSA-N 0 1 380.839 3.344 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCN3C(=O)Nc3ccccc3)[nH]c2c1 ZINC000174879409 1427424140 /nfs/dbraw/zinc/42/41/40/1427424140.db2.gz ZTOXHYMETQMKIW-SFHVURJKSA-N 0 1 377.448 3.184 20 0 GGADMN CSCc1nc2ccccc2n1CC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174878595 1427424225 /nfs/dbraw/zinc/42/42/25/1427424225.db2.gz YRMMUJGBYDFTSX-UHFFFAOYSA-N 0 1 379.489 3.400 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000174880026 1427424939 /nfs/dbraw/zinc/42/49/39/1427424939.db2.gz JYPHISBRXSFRAJ-GOSISDBHSA-N 0 1 390.487 3.348 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C3CCCCC3)[nH]c2c1 ZINC000174881836 1427425894 /nfs/dbraw/zinc/42/58/94/1427425894.db2.gz SIBGBODTRMEMEU-LJQANCHMSA-N 0 1 391.537 3.260 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccc(Cl)cc1 ZINC000174883920 1427426790 /nfs/dbraw/zinc/42/67/90/1427426790.db2.gz PGRDPIWQXZQLKJ-KRWDZBQOSA-N 0 1 384.867 3.408 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)C(C)C)cc1 ZINC000174890479 1427429971 /nfs/dbraw/zinc/42/99/71/1427429971.db2.gz KUGHDAMAUXLJLE-HXUWFJFHSA-N 0 1 378.476 3.251 20 0 GGADMN Cc1ccc2nc(CNC(=O)CN3C(=S)N=NC3c3cccc(C)c3)[nH]c2c1 ZINC000174892788 1427430653 /nfs/dbraw/zinc/43/06/53/1427430653.db2.gz CUYVRVDISVBMFV-UHFFFAOYSA-N 0 1 392.488 3.043 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc2c(c1)CCO2 ZINC000174894187 1427431209 /nfs/dbraw/zinc/43/12/09/1427431209.db2.gz MFAPJBDHEWJTDZ-UHFFFAOYSA-N 0 1 396.491 3.416 20 0 GGADMN COc1ccc(-c2noc(CCC(=O)NCc3nc4ccc(C)cc4[nH]3)n2)cc1 ZINC000174899152 1427434611 /nfs/dbraw/zinc/43/46/11/1427434611.db2.gz GFAHCGKHPPYPRT-UHFFFAOYSA-N 0 1 391.431 3.179 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)C(=O)NC1CCCCC1 ZINC000174899729 1427435097 /nfs/dbraw/zinc/43/50/97/1427435097.db2.gz MQIJSRQNNJXTID-KRWDZBQOSA-N 0 1 388.556 3.086 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](OC)C(C)(C)C ZINC000174901925 1427436155 /nfs/dbraw/zinc/43/61/55/1427436155.db2.gz IYCIESDRNVBJAR-LJQANCHMSA-N 0 1 392.544 3.020 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000822193415 1427436420 /nfs/dbraw/zinc/43/64/20/1427436420.db2.gz WTELFOGOMARTFG-UHFFFAOYSA-N 0 1 377.496 3.477 20 0 GGADMN COc1ccccc1CCNC(=O)CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000174907165 1427439250 /nfs/dbraw/zinc/43/92/50/1427439250.db2.gz QENCXPKMQGPQMM-QFIPXVFZSA-N 0 1 396.531 3.116 20 0 GGADMN COc1cccc(CNC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000174907215 1427439473 /nfs/dbraw/zinc/43/94/73/1427439473.db2.gz BMAPJPROVHMVIZ-QFIPXVFZSA-N 0 1 382.504 3.073 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)N1 ZINC000174908488 1427441059 /nfs/dbraw/zinc/44/10/59/1427441059.db2.gz KGKYHDDNZSWCII-ACJLOTCBSA-N 0 1 397.866 3.344 20 0 GGADMN Cc1ccc2nc(CNC(=O)CSc3nnc(-c4cccs4)n3C)[nH]c2c1 ZINC000174909012 1427441241 /nfs/dbraw/zinc/44/12/41/1427441241.db2.gz OCXXPAUOTWFESE-UHFFFAOYSA-N 0 1 398.517 3.137 20 0 GGADMN COCc1ccccc1CNC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000174909409 1427441262 /nfs/dbraw/zinc/44/12/62/1427441262.db2.gz SUOHSXCWYGBAFL-HSZRJFAPSA-N 0 1 396.531 3.211 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)N1 ZINC000174908441 1427441347 /nfs/dbraw/zinc/44/13/47/1427441347.db2.gz KGKYHDDNZSWCII-SCLBCKFNSA-N 0 1 397.866 3.344 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3C)C2)CC1 ZINC000174914291 1427443579 /nfs/dbraw/zinc/44/35/79/1427443579.db2.gz XMRTVOIGDOSHEA-MRXNPFEDSA-N 0 1 384.446 3.258 20 0 GGADMN Cc1nc(C(=O)Nc2cccc3ccccc32)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174915337 1427444075 /nfs/dbraw/zinc/44/40/75/1427444075.db2.gz VFOJTCDLHIKAOS-UHFFFAOYSA-N 0 1 387.325 3.118 20 0 GGADMN FC(F)(F)Oc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000737625599 1427447910 /nfs/dbraw/zinc/44/79/10/1427447910.db2.gz CLEXIBVRHPJHBY-UHFFFAOYSA-N 0 1 386.337 3.348 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NC(=O)Cc3[nH]nc4ccccc43)ccc2NC1=O ZINC000174931232 1427451126 /nfs/dbraw/zinc/45/11/26/1427451126.db2.gz JRZRDEYQFMOGEV-KPZWWZAWSA-N 0 1 378.432 3.092 20 0 GGADMN O=C(Nc1cccc(CN[C@H]2CC(=O)N(C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000174933514 1427452891 /nfs/dbraw/zinc/45/28/91/1427452891.db2.gz SAHJQSFLYUEMNL-SFHVURJKSA-N 0 1 383.879 3.445 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c1 ZINC000174939070 1427456005 /nfs/dbraw/zinc/45/60/05/1427456005.db2.gz PAOKGRUTBIZLLN-UHFFFAOYSA-N 0 1 398.916 3.132 20 0 GGADMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000174940433 1427456507 /nfs/dbraw/zinc/45/65/07/1427456507.db2.gz MOXVVFNUPXMRRZ-OSOCVKALSA-N 0 1 393.597 3.148 20 0 GGADMN Cn1c(CCCNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)nc2ccccc21 ZINC000826355319 1427458616 /nfs/dbraw/zinc/45/86/16/1427458616.db2.gz UDXQDTBPBGDREE-UHFFFAOYSA-N 0 1 388.479 3.072 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824548633 1427458673 /nfs/dbraw/zinc/45/86/73/1427458673.db2.gz YKKVGFUEYXTUDF-RLFYNMQTSA-N 0 1 380.471 3.492 20 0 GGADMN Cc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1N1CCOC1=O ZINC000174958660 1427466894 /nfs/dbraw/zinc/46/68/94/1427466894.db2.gz YEUWTIWAQMBBKA-UHFFFAOYSA-N 0 1 394.475 3.131 20 0 GGADMN CC(C)OC(=O)C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824305866 1427467238 /nfs/dbraw/zinc/46/72/38/1427467238.db2.gz VTCBYQZWLFFONT-QGZVFWFLSA-N 0 1 383.427 3.178 20 0 GGADMN Cc1nc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174966493 1427470505 /nfs/dbraw/zinc/47/05/05/1427470505.db2.gz IWVRLGPDHYEILT-WDEREUQCSA-N 0 1 399.421 3.047 20 0 GGADMN Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174966528 1427470559 /nfs/dbraw/zinc/47/05/59/1427470559.db2.gz IWVRLGPDHYEILT-GHMZBOCLSA-N 0 1 399.421 3.047 20 0 GGADMN CCc1nnc(-c2ccc(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)cc2)o1 ZINC000174967883 1427471611 /nfs/dbraw/zinc/47/16/11/1427471611.db2.gz CNKPRGLXNWUGOS-UHFFFAOYSA-N 0 1 391.435 3.292 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccc(Br)s1 ZINC000174969234 1427472330 /nfs/dbraw/zinc/47/23/30/1427472330.db2.gz OGSLPJPPIAXIJA-UHFFFAOYSA-N 0 1 382.355 3.433 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cn2)n1 ZINC000174979137 1427476591 /nfs/dbraw/zinc/47/65/91/1427476591.db2.gz TVXGDJVDQSKIEY-UHFFFAOYSA-N 0 1 378.508 3.129 20 0 GGADMN CC[NH+](CC)[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)Cc1ccccc1 ZINC000174980078 1427477254 /nfs/dbraw/zinc/47/72/54/1427477254.db2.gz POKZHYUGINDFJD-SFHVURJKSA-N 0 1 398.551 3.059 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(F)c(F)c3)C2=O)c1 ZINC000174980864 1427477488 /nfs/dbraw/zinc/47/74/88/1427477488.db2.gz YOOKRMMJSBTCLS-CWTRNNRKSA-N 0 1 376.403 3.438 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174982663 1427478166 /nfs/dbraw/zinc/47/81/66/1427478166.db2.gz QPEKRVMPFMDOHD-QGZVFWFLSA-N 0 1 390.487 3.229 20 0 GGADMN C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000824773083 1427478904 /nfs/dbraw/zinc/47/89/04/1427478904.db2.gz YDXDASFTAXBLLX-OAHLLOKOSA-N 0 1 388.479 3.152 20 0 GGADMN COc1ccc(CCNC(=O)[C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC000174987342 1427481764 /nfs/dbraw/zinc/48/17/64/1427481764.db2.gz BHYRHPRVPCLVAX-HOIFWPIMSA-N 0 1 382.504 3.444 20 0 GGADMN c1ccc2sc([C@@H]3CCC[N@H+](Cc4ccnc(-c5nnn[n-]5)c4)C3)nc2c1 ZINC000826524264 1427484253 /nfs/dbraw/zinc/48/42/53/1427484253.db2.gz OMTFALBJGJDXOO-CQSZACIVSA-N 0 1 377.477 3.251 20 0 GGADMN c1ccc2sc([C@@H]3CCC[N@@H+](Cc4ccnc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826524264 1427484255 /nfs/dbraw/zinc/48/42/55/1427484255.db2.gz OMTFALBJGJDXOO-CQSZACIVSA-N 0 1 377.477 3.251 20 0 GGADMN c1ccc2sc([C@@H]3CCC[N@H+](Cc4ccnc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826524264 1427484257 /nfs/dbraw/zinc/48/42/57/1427484257.db2.gz OMTFALBJGJDXOO-CQSZACIVSA-N 0 1 377.477 3.251 20 0 GGADMN CNC(=O)CC1CCN([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174998874 1427488318 /nfs/dbraw/zinc/48/83/18/1427488318.db2.gz IZDROHSIYZAIJJ-IAGOWNOFSA-N 0 1 381.520 3.254 20 0 GGADMN CNC(=O)CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174998894 1427488349 /nfs/dbraw/zinc/48/83/49/1427488349.db2.gz IZDROHSIYZAIJJ-IRXDYDNUSA-N 0 1 381.520 3.254 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc4c(c3)CCO4)C2=O)c1 ZINC000175003992 1427491787 /nfs/dbraw/zinc/49/17/87/1427491787.db2.gz JIJZIJMRGNKXJW-VLIAUNLRSA-N 0 1 382.460 3.095 20 0 GGADMN FC(F)(F)c1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1 ZINC000826368682 1427492207 /nfs/dbraw/zinc/49/22/07/1427492207.db2.gz YQPMBRGHUHJZEE-HNNXBMFYSA-N 0 1 379.342 3.052 20 0 GGADMN CC1CCN(c2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cn2)CC1 ZINC000175006044 1427492754 /nfs/dbraw/zinc/49/27/54/1427492754.db2.gz HKQBDVYDIHCQGN-UHFFFAOYSA-N 0 1 395.579 3.240 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000175009977 1427494629 /nfs/dbraw/zinc/49/46/29/1427494629.db2.gz YPZGCOWMRJYIKV-KRWDZBQOSA-N 0 1 394.928 3.221 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)C(=O)CCC4)c(Cl)cc2N1 ZINC000175009625 1427495034 /nfs/dbraw/zinc/49/50/34/1427495034.db2.gz NBOIBPNPMHKWNH-UHFFFAOYSA-N 0 1 390.848 3.154 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000175011256 1427495958 /nfs/dbraw/zinc/49/59/58/1427495958.db2.gz WRNNVZSQZZLXBR-CHWSQXEVSA-N 0 1 381.400 3.206 20 0 GGADMN C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820315198 1427498721 /nfs/dbraw/zinc/49/87/21/1427498721.db2.gz MBEWNYKQVSCOCH-SJKOYZFVSA-N 0 1 384.871 3.000 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000175014277 1427498730 /nfs/dbraw/zinc/49/87/30/1427498730.db2.gz PXIRTVQPQVVYLC-UHFFFAOYSA-N 0 1 394.468 3.344 20 0 GGADMN C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1Cl ZINC000175020361 1427503144 /nfs/dbraw/zinc/50/31/44/1427503144.db2.gz WEUACLZJOKGOIT-OAHLLOKOSA-N 0 1 390.890 3.264 20 0 GGADMN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175022467 1427504270 /nfs/dbraw/zinc/50/42/70/1427504270.db2.gz HEUDVQHCGNFPJD-SBUREZEXSA-N 0 1 384.495 3.461 20 0 GGADMN C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824545825 1427514458 /nfs/dbraw/zinc/51/44/58/1427514458.db2.gz DTUUEAQXSPCJSS-AWEZNQCLSA-N 0 1 398.461 3.460 20 0 GGADMN CNC(=O)CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000175042443 1427515478 /nfs/dbraw/zinc/51/54/78/1427515478.db2.gz WPNRNHIVILIMOG-IAGOWNOFSA-N 0 1 381.520 3.254 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2[nH]c1=S ZINC000175046918 1427517966 /nfs/dbraw/zinc/51/79/66/1427517966.db2.gz UJKMOQJWTMSSDU-UHFFFAOYSA-N 0 1 385.411 3.027 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000175050507 1427519832 /nfs/dbraw/zinc/51/98/32/1427519832.db2.gz PXAWUGOKIRVARL-UYAOXDASSA-N 0 1 396.510 3.137 20 0 GGADMN CCOc1ccccc1[C@H](CC)[NH2+]Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825653720 1427521945 /nfs/dbraw/zinc/52/19/45/1427521945.db2.gz IMSFDHICDGAAKQ-KRWDZBQOSA-N 0 1 395.463 3.293 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175054456 1427522347 /nfs/dbraw/zinc/52/23/47/1427522347.db2.gz JTDRTOBZIMXWLU-HNNXBMFYSA-N 0 1 375.494 3.329 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000822225277 1427522751 /nfs/dbraw/zinc/52/27/51/1427522751.db2.gz WIQUYPUHHRPAKL-LSDHHAIUSA-N 0 1 388.479 3.476 20 0 GGADMN CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820226421 1427523514 /nfs/dbraw/zinc/52/35/14/1427523514.db2.gz VLGGXFJYJAOSEF-HNNXBMFYSA-N 0 1 378.480 3.497 20 0 GGADMN C[C@H](C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)N1CCc2ccccc2C1 ZINC000175064953 1427527424 /nfs/dbraw/zinc/52/74/24/1427527424.db2.gz YLPDGQGQYKQDQY-XMSQKQJNSA-N 0 1 386.536 3.010 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000175077929 1427534461 /nfs/dbraw/zinc/53/44/61/1427534461.db2.gz ZJNFZGPPDPIHLE-JXMROGBWSA-N 0 1 395.528 3.295 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000826250880 1427549013 /nfs/dbraw/zinc/54/90/13/1427549013.db2.gz WZXPQVRIIJZLNU-UHFFFAOYSA-N 0 1 376.464 3.399 20 0 GGADMN CC[C@@](C)(NC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1nccs1 ZINC000175112610 1427552919 /nfs/dbraw/zinc/55/29/19/1427552919.db2.gz NBEAYRYDIHYNHK-OAQYLSRUSA-N 0 1 386.565 3.405 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000822732044 1427553100 /nfs/dbraw/zinc/55/31/00/1427553100.db2.gz HNBIZUKXZVNGDX-HIFRSBDPSA-N 0 1 381.452 3.328 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000822732044 1427553106 /nfs/dbraw/zinc/55/31/06/1427553106.db2.gz HNBIZUKXZVNGDX-HIFRSBDPSA-N 0 1 381.452 3.328 20 0 GGADMN COc1sc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000826222170 1427553198 /nfs/dbraw/zinc/55/31/98/1427553198.db2.gz LXIFJZMHUXPUGH-UHFFFAOYSA-N 0 1 398.261 3.128 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000175122339 1427558284 /nfs/dbraw/zinc/55/82/84/1427558284.db2.gz WBZSJGPNZDTANN-AWEZNQCLSA-N 0 1 384.524 3.235 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000175121977 1427558556 /nfs/dbraw/zinc/55/85/56/1427558556.db2.gz OQFBVMVYTJDCQB-UHFFFAOYSA-N 0 1 389.408 3.468 20 0 GGADMN Cc1cc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c2cnn(C)c2n1 ZINC000175127720 1427560858 /nfs/dbraw/zinc/56/08/58/1427560858.db2.gz IGKCYUHINZGDFS-UHFFFAOYSA-N 0 1 399.498 3.388 20 0 GGADMN CN(CCNC(=O)Nc1ccc2c(c1)NC(=O)CS2)Cc1ccc(F)cc1 ZINC000175133971 1427563030 /nfs/dbraw/zinc/56/30/30/1427563030.db2.gz GPFOZGBVYZUIGU-UHFFFAOYSA-N 0 1 388.468 3.123 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCc1nc(-c2ccccn2)cs1 ZINC000175138966 1427564813 /nfs/dbraw/zinc/56/48/13/1427564813.db2.gz VXGDHRCBDOEPHT-UHFFFAOYSA-N 0 1 395.560 3.170 20 0 GGADMN CN(CCNC(=O)Nc1cc2c(cc1Cl)OCO2)Cc1ccc(F)cc1 ZINC000175140731 1427565652 /nfs/dbraw/zinc/56/56/52/1427565652.db2.gz ZFOXGCWSUJVRRS-UHFFFAOYSA-N 0 1 379.819 3.461 20 0 GGADMN C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824605539 1427565992 /nfs/dbraw/zinc/56/59/92/1427565992.db2.gz JSZQOOJBSBMNCS-QMMMGPOBSA-N 0 1 385.781 3.123 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000175148047 1427568830 /nfs/dbraw/zinc/56/88/30/1427568830.db2.gz JYXKUQUZMRSWMH-OAHLLOKOSA-N 0 1 376.545 3.006 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000175148047 1427568834 /nfs/dbraw/zinc/56/88/34/1427568834.db2.gz JYXKUQUZMRSWMH-OAHLLOKOSA-N 0 1 376.545 3.006 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCSC4(CCCCC4)C3)c2)CC1 ZINC000175153085 1427570901 /nfs/dbraw/zinc/57/09/01/1427570901.db2.gz ZHBBFTUGOWRTOU-UHFFFAOYSA-N 0 1 387.593 3.326 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1F ZINC000175153660 1427570985 /nfs/dbraw/zinc/57/09/85/1427570985.db2.gz ZWFURQNNVZYIHR-UHFFFAOYSA-N 0 1 376.407 3.177 20 0 GGADMN CC(C)Nc1cc(F)ccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000175154954 1427571581 /nfs/dbraw/zinc/57/15/81/1427571581.db2.gz YCOKOBDTFGLQCZ-UHFFFAOYSA-N 0 1 385.487 3.192 20 0 GGADMN Cc1cccc2nc(CCC(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)[nH]c21 ZINC000175155248 1427571678 /nfs/dbraw/zinc/57/16/78/1427571678.db2.gz BPTQSEJGXIFXGX-AWEZNQCLSA-N 0 1 385.489 3.085 20 0 GGADMN COc1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1NC(C)=O ZINC000175155642 1427572205 /nfs/dbraw/zinc/57/22/05/1427572205.db2.gz LQYAEHGOTBKOFD-UHFFFAOYSA-N 0 1 388.443 3.046 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H]1CCSC1 ZINC000825981414 1427573224 /nfs/dbraw/zinc/57/32/24/1427573224.db2.gz RPVJVWVOUPLALC-SFHVURJKSA-N 0 1 381.505 3.383 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCSC1 ZINC000825981414 1427573226 /nfs/dbraw/zinc/57/32/26/1427573226.db2.gz RPVJVWVOUPLALC-SFHVURJKSA-N 0 1 381.505 3.383 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCSC1 ZINC000825981414 1427573229 /nfs/dbraw/zinc/57/32/29/1427573229.db2.gz RPVJVWVOUPLALC-SFHVURJKSA-N 0 1 381.505 3.383 20 0 GGADMN COC[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C)o1 ZINC000175166713 1427577605 /nfs/dbraw/zinc/57/76/05/1427577605.db2.gz KIGZJSPBRDNFDE-SJORKVTESA-N 0 1 375.469 3.395 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C2CC2)C2CCCC2)N(C)C)cc1OC ZINC000175169643 1427579827 /nfs/dbraw/zinc/57/98/27/1427579827.db2.gz DGAFNJDWCWCZFB-SFHVURJKSA-N 0 1 375.513 3.423 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C12CCCC2 ZINC000175179274 1427584599 /nfs/dbraw/zinc/58/45/99/1427584599.db2.gz ZTKCWNKKMPTHQW-UXHICEINSA-N 0 1 386.540 3.083 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccccc1Cl ZINC000175179681 1427585605 /nfs/dbraw/zinc/58/56/05/1427585605.db2.gz XKALUVBYOBGSFW-YJBOKZPZSA-N 0 1 394.947 3.020 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)NC1(c2cccc(Cl)c2)CC1 ZINC000175179972 1427585719 /nfs/dbraw/zinc/58/57/19/1427585719.db2.gz OAXDRKQYULYSMK-UHFFFAOYSA-N 0 1 384.911 3.053 20 0 GGADMN Cc1cc(CN2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)no1 ZINC000175181825 1427586404 /nfs/dbraw/zinc/58/64/04/1427586404.db2.gz REMNNGDYSIPIDH-UHFFFAOYSA-N 0 1 385.851 3.453 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(CCc4ccccc4)CC3)[nH]c21 ZINC000175187338 1427589109 /nfs/dbraw/zinc/58/91/09/1427589109.db2.gz HNIQJTFIYOLIAI-UHFFFAOYSA-N 0 1 376.504 3.191 20 0 GGADMN O=C(c1cccc(F)c1)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175191225 1427590902 /nfs/dbraw/zinc/59/09/02/1427590902.db2.gz MAHMBELTTLHLNX-UHFFFAOYSA-N 0 1 397.233 3.436 20 0 GGADMN O=C(c1ccccn1)N1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000175191171 1427591105 /nfs/dbraw/zinc/59/11/05/1427591105.db2.gz NWJLKMAJVYQBLR-UHFFFAOYSA-N 0 1 395.846 3.192 20 0 GGADMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1ccn[nH]1)CC2 ZINC000175192585 1427591849 /nfs/dbraw/zinc/59/18/49/1427591849.db2.gz DFXXKHRDRCFNEF-HXUWFJFHSA-N 0 1 383.473 3.205 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000175196760 1427593487 /nfs/dbraw/zinc/59/34/87/1427593487.db2.gz OWCFQOLMWXTWFP-RXVVDRJESA-N 0 1 388.556 3.401 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1-c1nnn[n-]1 ZINC000826202874 1427597824 /nfs/dbraw/zinc/59/78/24/1427597824.db2.gz QXOZZIVZNVXNQH-CRAIPNDOSA-N 0 1 384.528 3.008 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1-c1nn[n-]n1 ZINC000826202874 1427597829 /nfs/dbraw/zinc/59/78/29/1427597829.db2.gz QXOZZIVZNVXNQH-CRAIPNDOSA-N 0 1 384.528 3.008 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCC[C@H](CC(N)=O)C3)cs2)cc1OC ZINC000175203363 1427598231 /nfs/dbraw/zinc/59/82/31/1427598231.db2.gz YMZUMPSBGDBPIB-CQSZACIVSA-N 0 1 389.521 3.305 20 0 GGADMN Cc1ccc(C[NH+]2CCCC2)cc1NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826287777 1427598322 /nfs/dbraw/zinc/59/83/22/1427598322.db2.gz CQUZPACBLURUKI-UHFFFAOYSA-N 0 1 388.479 3.031 20 0 GGADMN Cc1ccccc1O[C@@H](C)CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000175212029 1427604348 /nfs/dbraw/zinc/60/43/48/1427604348.db2.gz XYJCFOZQXPYDTB-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736194624 1427605954 /nfs/dbraw/zinc/60/59/54/1427605954.db2.gz CBLNUSDWXXUNQW-KXBFYZLASA-N 0 1 376.464 3.055 20 0 GGADMN CN(CCNC(=O)Nc1ccc(CN2CCCC2=O)cc1)Cc1ccc(F)cc1 ZINC000175214016 1427606470 /nfs/dbraw/zinc/60/64/70/1427606470.db2.gz MFNHDWYNHQTMSI-UHFFFAOYSA-N 0 1 398.482 3.202 20 0 GGADMN NC(=O)C[C@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000175216541 1427607971 /nfs/dbraw/zinc/60/79/71/1427607971.db2.gz LVBRTFYEJVTTSF-GOSISDBHSA-N 0 1 389.515 3.074 20 0 GGADMN CSC1(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000175225699 1427612555 /nfs/dbraw/zinc/61/25/55/1427612555.db2.gz SDWIYRUWDQOZLL-UHFFFAOYSA-N 0 1 395.544 3.002 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000822740159 1427612835 /nfs/dbraw/zinc/61/28/35/1427612835.db2.gz HLSMDQKAOIAEHD-LJQANCHMSA-N 0 1 381.455 3.230 20 0 GGADMN C[C@H](CCc1cccn1C)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175225363 1427612890 /nfs/dbraw/zinc/61/28/90/1427612890.db2.gz MPTVPLRMRRWCDN-QGZVFWFLSA-N 0 1 386.515 3.449 20 0 GGADMN O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737846082 1427613973 /nfs/dbraw/zinc/61/39/73/1427613973.db2.gz FBGFPUVYCQFBLE-HXUWFJFHSA-N 0 1 376.464 3.326 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175239203 1427620575 /nfs/dbraw/zinc/62/05/75/1427620575.db2.gz ZUMJPGIJNZOKDT-IAGOWNOFSA-N 0 1 381.476 3.393 20 0 GGADMN NC(=O)C[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000175242149 1427622587 /nfs/dbraw/zinc/62/25/87/1427622587.db2.gz IVQSKTBJXNMGGE-OPAMFIHVSA-N 0 1 399.922 3.133 20 0 GGADMN CC(C)N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000175244135 1427623398 /nfs/dbraw/zinc/62/33/98/1427623398.db2.gz VCKZLELPSDGAFH-AYHJJNSGSA-N 0 1 379.545 3.107 20 0 GGADMN Cc1nsc(N2CCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)n1 ZINC000175253632 1427627182 /nfs/dbraw/zinc/62/71/82/1427627182.db2.gz KLRIMEPFJVWKLK-UHFFFAOYSA-N 0 1 388.880 3.321 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@H](Cc4ccccc4)C3)n2)cc1 ZINC000175263713 1427633260 /nfs/dbraw/zinc/63/32/60/1427633260.db2.gz NXUREPYOIZCLLH-QGZVFWFLSA-N 0 1 391.475 3.255 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CC[C@H](Cc4ccccc4)C3)n[nH]2)cc1 ZINC000175263713 1427633268 /nfs/dbraw/zinc/63/32/68/1427633268.db2.gz NXUREPYOIZCLLH-QGZVFWFLSA-N 0 1 391.475 3.255 20 0 GGADMN O=C(NCc1cc(Cl)ccc1OC(F)F)c1nnc2ccccc2c1O ZINC000175270450 1427638621 /nfs/dbraw/zinc/63/86/21/1427638621.db2.gz QISKAPFBXFOKGE-UHFFFAOYSA-N 0 1 379.750 3.108 20 0 GGADMN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(Cl)c1O ZINC000175272885 1427640141 /nfs/dbraw/zinc/64/01/41/1427640141.db2.gz QAGCAIRMJBCRRZ-QGZVFWFLSA-N 0 1 389.814 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cnccc2-c2nnn[n-]2)C1 ZINC000824874578 1427642337 /nfs/dbraw/zinc/64/23/37/1427642337.db2.gz DXWWSDULXDKKML-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cnccc2-c2nn[n-]n2)C1 ZINC000824874578 1427642340 /nfs/dbraw/zinc/64/23/40/1427642340.db2.gz DXWWSDULXDKKML-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cnccc2-c2nn[n-]n2)C1 ZINC000824874578 1427642345 /nfs/dbraw/zinc/64/23/45/1427642345.db2.gz DXWWSDULXDKKML-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC000824984338 1427643487 /nfs/dbraw/zinc/64/34/87/1427643487.db2.gz ISBZIPUSBJFPHD-HZPDHXFCSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC000824984338 1427643493 /nfs/dbraw/zinc/64/34/93/1427643493.db2.gz ISBZIPUSBJFPHD-HZPDHXFCSA-N 0 1 379.464 3.055 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cccc(N2CCCNC2=O)c1)c1ccco1 ZINC000175279333 1427643868 /nfs/dbraw/zinc/64/38/68/1427643868.db2.gz NCBNLSAZOHVQJU-GOSISDBHSA-N 0 1 384.480 3.012 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCCc3nccn3Cc3ccccc3)[nH]c21 ZINC000175284815 1427647685 /nfs/dbraw/zinc/64/76/85/1427647685.db2.gz BOPIGIVDIDWWOB-UHFFFAOYSA-N 0 1 387.487 3.408 20 0 GGADMN Cc1cc(F)cc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000175286215 1427648697 /nfs/dbraw/zinc/64/86/97/1427648697.db2.gz DKRMAUBIOMXYAC-UHFFFAOYSA-N 0 1 376.497 3.419 20 0 GGADMN O=C(c1cccc(N2CCC[NH+]=C2[O-])c1)N(Cc1ccco1)CC(F)(F)F ZINC000175288808 1427649101 /nfs/dbraw/zinc/64/91/01/1427649101.db2.gz SSCRCHNRJAQUCN-UHFFFAOYSA-N 0 1 381.354 3.404 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cccc(N3CCCNC3=O)c2)N2CCCC2)o1 ZINC000175294290 1427652486 /nfs/dbraw/zinc/65/24/86/1427652486.db2.gz RRJTWMXZLAJUOI-LJQANCHMSA-N 0 1 396.491 3.075 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(C)=O)cc1 ZINC000175294711 1427653294 /nfs/dbraw/zinc/65/32/94/1427653294.db2.gz BHQWENNFEXKUAP-UHFFFAOYSA-N 0 1 381.476 3.292 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000175295106 1427653738 /nfs/dbraw/zinc/65/37/38/1427653738.db2.gz RUSGROGQWMXUJZ-GOSISDBHSA-N 0 1 395.503 3.027 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826155898 1427654571 /nfs/dbraw/zinc/65/45/71/1427654571.db2.gz GZZXJIZSVHDBDC-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826155898 1427654575 /nfs/dbraw/zinc/65/45/75/1427654575.db2.gz GZZXJIZSVHDBDC-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826155898 1427654579 /nfs/dbraw/zinc/65/45/79/1427654579.db2.gz GZZXJIZSVHDBDC-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1ccc(C)cc1C ZINC000175295994 1427655136 /nfs/dbraw/zinc/65/51/36/1427655136.db2.gz DTVYOVWWQCBZFQ-UHFFFAOYSA-N 0 1 397.519 3.471 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sccc1OC ZINC000175299456 1427657779 /nfs/dbraw/zinc/65/77/79/1427657779.db2.gz SEJLAFCNROQRTM-UHFFFAOYSA-N 0 1 375.494 3.160 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cc2)o1 ZINC000175299009 1427657996 /nfs/dbraw/zinc/65/79/96/1427657996.db2.gz LWONBCCPNWGZFY-UHFFFAOYSA-N 0 1 392.440 3.287 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sc(C)cc1OC ZINC000175298772 1427658092 /nfs/dbraw/zinc/65/80/92/1427658092.db2.gz LOGXPKIFVUZAAF-UHFFFAOYSA-N 0 1 389.521 3.468 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCOc1ccccc1 ZINC000175300397 1427659238 /nfs/dbraw/zinc/65/92/38/1427659238.db2.gz RPVCQQNGKIQXGR-UHFFFAOYSA-N 0 1 383.492 3.245 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000175301135 1427660302 /nfs/dbraw/zinc/66/03/02/1427660302.db2.gz MUFWXZXISOLXQT-UHFFFAOYSA-N 0 1 396.491 3.048 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(F)cc1F ZINC000175302360 1427662058 /nfs/dbraw/zinc/66/20/58/1427662058.db2.gz YTMSIUBHSLDARR-UHFFFAOYSA-N 0 1 375.419 3.368 20 0 GGADMN COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1-c1nn[n-]n1 ZINC000821804047 1427662369 /nfs/dbraw/zinc/66/23/69/1427662369.db2.gz IZTQUUSNGIPKME-HXUWFJFHSA-N 0 1 395.463 3.133 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(F)c1F ZINC000175304614 1427663186 /nfs/dbraw/zinc/66/31/86/1427663186.db2.gz RESGQLQBRUCJGU-UHFFFAOYSA-N 0 1 375.419 3.368 20 0 GGADMN CCCc1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)s1 ZINC000175305579 1427663995 /nfs/dbraw/zinc/66/39/95/1427663995.db2.gz ZXJHNNZBRQXFTR-UHFFFAOYSA-N 0 1 388.537 3.498 20 0 GGADMN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175305251 1427664692 /nfs/dbraw/zinc/66/46/92/1427664692.db2.gz BKEWWGOZKXIWCL-UHFFFAOYSA-N 0 1 396.466 3.108 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)cn1C ZINC000175306207 1427665315 /nfs/dbraw/zinc/66/53/15/1427665315.db2.gz IUWGQFLKBOFXJN-UHFFFAOYSA-N 0 1 376.888 3.081 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(OC(F)F)c(F)c1 ZINC000175313103 1427670184 /nfs/dbraw/zinc/67/01/84/1427670184.db2.gz RYHXUVDSZKIPLZ-UHFFFAOYSA-N 0 1 395.362 3.064 20 0 GGADMN O=C(Nc1nc(Cc2ccccc2)ns1)c1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000175319588 1427674757 /nfs/dbraw/zinc/67/47/57/1427674757.db2.gz CTNBHHJFVSFMDQ-UHFFFAOYSA-N 0 1 393.472 3.301 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529463 1427676838 /nfs/dbraw/zinc/67/68/38/1427676838.db2.gz GMKFKPUXRBABLR-RYUDHWBXSA-N 0 1 380.427 3.302 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CCN1C[C@@H](C)O ZINC000175323502 1427678156 /nfs/dbraw/zinc/67/81/56/1427678156.db2.gz RSJNKPKEYWOOBJ-RTBURBONSA-N 0 1 388.556 3.376 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@H]1CCc2c1cccc2Cl ZINC000175324929 1427679211 /nfs/dbraw/zinc/67/92/11/1427679211.db2.gz RMTIXNVSRCWOLV-INIZCTEOSA-N 0 1 385.876 3.142 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000175326097 1427679843 /nfs/dbraw/zinc/67/98/43/1427679843.db2.gz GHNGRKXRSGVWJT-QFIPXVFZSA-N 0 1 391.515 3.129 20 0 GGADMN c1ccc2c(c1)nc(NCC1CCN(c3cc[nH+]cc3)CC1)cc2-c1nn[n-]n1 ZINC000826523030 1427681011 /nfs/dbraw/zinc/68/10/11/1427681011.db2.gz YAXSPSXJTRMWFI-UHFFFAOYSA-N 0 1 386.463 3.138 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CCO2)n[nH]1 ZINC000175334469 1427686311 /nfs/dbraw/zinc/68/63/11/1427686311.db2.gz QELUKNXRAPMQLA-KBPBESRZSA-N 0 1 393.900 3.087 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175336809 1427688579 /nfs/dbraw/zinc/68/85/79/1427688579.db2.gz LGZAUKZJVDTYBI-MRXNPFEDSA-N 0 1 397.500 3.351 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175336788 1427688715 /nfs/dbraw/zinc/68/87/15/1427688715.db2.gz LGZAUKZJVDTYBI-INIZCTEOSA-N 0 1 397.500 3.351 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)NCCN(C)Cc3ccc(F)cc3)c2)n[nH]1 ZINC000175336948 1427688751 /nfs/dbraw/zinc/68/87/51/1427688751.db2.gz WWBSZRFQQQBUBO-UHFFFAOYSA-N 0 1 382.443 3.173 20 0 GGADMN Cc1ccc2cccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)c2n1 ZINC000175340165 1427690086 /nfs/dbraw/zinc/69/00/86/1427690086.db2.gz GVUQGOQPTMKXIF-UHFFFAOYSA-N 0 1 376.441 3.181 20 0 GGADMN COc1ccccc1[C@@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175342159 1427692940 /nfs/dbraw/zinc/69/29/40/1427692940.db2.gz NEGALQCHVSSBFG-KRWDZBQOSA-N 0 1 395.484 3.058 20 0 GGADMN COc1ccccc1[C@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175342178 1427692987 /nfs/dbraw/zinc/69/29/87/1427692987.db2.gz NEGALQCHVSSBFG-QGZVFWFLSA-N 0 1 395.484 3.058 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)N1CCN(C)CC1 ZINC000175348910 1427697183 /nfs/dbraw/zinc/69/71/83/1427697183.db2.gz DGVDYGSHNOIEBI-CZAAIQMYSA-N 0 1 390.547 3.020 20 0 GGADMN COC(=O)c1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)c(F)c1 ZINC000175349243 1427697282 /nfs/dbraw/zinc/69/72/82/1427697282.db2.gz AOKUAUFZWDPOGF-UHFFFAOYSA-N 0 1 377.391 3.005 20 0 GGADMN CC[C@@H](NC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)C(C)(C)c1ccccc1 ZINC000175350214 1427698402 /nfs/dbraw/zinc/69/84/02/1427698402.db2.gz DLLURFMUNDUFDM-NHCUHLMSSA-N 0 1 386.584 3.164 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000823821017 1427702311 /nfs/dbraw/zinc/70/23/11/1427702311.db2.gz NOHGCESCEDEYGD-QGZVFWFLSA-N 0 1 392.301 3.022 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000823821017 1427702314 /nfs/dbraw/zinc/70/23/14/1427702314.db2.gz NOHGCESCEDEYGD-QGZVFWFLSA-N 0 1 392.301 3.022 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000823821017 1427702319 /nfs/dbraw/zinc/70/23/19/1427702319.db2.gz NOHGCESCEDEYGD-QGZVFWFLSA-N 0 1 392.301 3.022 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCSC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000175365316 1427709418 /nfs/dbraw/zinc/70/94/18/1427709418.db2.gz MYHZRASJPJFMQM-CALCHBBNSA-N 0 1 391.581 3.333 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175366630 1427710527 /nfs/dbraw/zinc/71/05/27/1427710527.db2.gz BBMJDFKCMSXHAQ-HIFRSBDPSA-N 0 1 397.475 3.229 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175366649 1427710857 /nfs/dbraw/zinc/71/08/57/1427710857.db2.gz BBMJDFKCMSXHAQ-ZFWWWQNUSA-N 0 1 397.475 3.229 20 0 GGADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000175367092 1427711112 /nfs/dbraw/zinc/71/11/12/1427711112.db2.gz NYAUITAKVMNFOQ-OFNKIYASSA-N 0 1 378.516 3.276 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CCN1C[C@@H](C)O ZINC000175370441 1427713646 /nfs/dbraw/zinc/71/36/46/1427713646.db2.gz CHFRVSLOEVHZAN-CVEARBPZSA-N 0 1 393.576 3.245 20 0 GGADMN CC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1cc(F)ccc1F ZINC000175370908 1427714593 /nfs/dbraw/zinc/71/45/93/1427714593.db2.gz OKGWHLDZBITADN-OAHLLOKOSA-N 0 1 389.427 3.231 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(CC(F)(F)F)cc1 ZINC000175372358 1427715281 /nfs/dbraw/zinc/71/52/81/1427715281.db2.gz NJVCZOGAAMGKRH-UHFFFAOYSA-N 0 1 393.390 3.429 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000175375406 1427717267 /nfs/dbraw/zinc/71/72/67/1427717267.db2.gz SJSFLQOWFQIQBQ-FZKQIMNGSA-N 0 1 397.475 3.434 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@H](C)c3cccc(OC)c3)n2)cc1 ZINC000175376224 1427717915 /nfs/dbraw/zinc/71/79/15/1427717915.db2.gz VSDCSVGXNXPLPV-AWEZNQCLSA-N 0 1 380.448 3.299 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@H](C)c3cccc(OC)c3)n[nH]2)cc1 ZINC000175376224 1427717919 /nfs/dbraw/zinc/71/79/19/1427717919.db2.gz VSDCSVGXNXPLPV-AWEZNQCLSA-N 0 1 380.448 3.299 20 0 GGADMN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820881781 1427718430 /nfs/dbraw/zinc/71/84/30/1427718430.db2.gz CYIBTLOXAMTJFB-QFBILLFUSA-N 0 1 395.507 3.332 20 0 GGADMN Cc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c2cnn(C)c2n1 ZINC000175382692 1427720979 /nfs/dbraw/zinc/72/09/79/1427720979.db2.gz LLTSYNGRNWCBNG-QGZVFWFLSA-N 0 1 376.420 3.257 20 0 GGADMN Cc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c2cnn(C)c2n1 ZINC000175382676 1427720992 /nfs/dbraw/zinc/72/09/92/1427720992.db2.gz LLTSYNGRNWCBNG-KRWDZBQOSA-N 0 1 376.420 3.257 20 0 GGADMN CCc1nnc(-c2cccc(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)c2)o1 ZINC000175388009 1427724934 /nfs/dbraw/zinc/72/49/34/1427724934.db2.gz ASQSSAMVMMIEGR-UHFFFAOYSA-N 0 1 391.435 3.292 20 0 GGADMN COc1cccc(COC[C@@H](O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175389928 1427726686 /nfs/dbraw/zinc/72/66/86/1427726686.db2.gz IZGJZZYPFFSMPC-GHJQATOXSA-N 0 1 391.533 3.003 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175396337 1427730622 /nfs/dbraw/zinc/73/06/22/1427730622.db2.gz ZHYPXMRSEJPIJM-GHJQATOXSA-N 0 1 391.533 3.003 20 0 GGADMN C/C(=C\C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccccc1OC(F)F ZINC000175404936 1427735735 /nfs/dbraw/zinc/73/57/35/1427735735.db2.gz QNRCVVPKFOPPEQ-HJUDDPQBSA-N 0 1 394.462 3.262 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)CCO2)n[nH]1 ZINC000175413768 1427741187 /nfs/dbraw/zinc/74/11/87/1427741187.db2.gz RSVAQFSDJPUASN-CVEARBPZSA-N 0 1 375.448 3.123 20 0 GGADMN Cc1cccc2nc(CCC(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)[nH]c21 ZINC000175415072 1427742112 /nfs/dbraw/zinc/74/21/12/1427742112.db2.gz AOKWYMOMACAYTP-ZDUSSCGKSA-N 0 1 378.432 3.012 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)[nH]c21 ZINC000175421352 1427745879 /nfs/dbraw/zinc/74/58/79/1427745879.db2.gz HYZZTCGVCATOQC-UHFFFAOYSA-N 0 1 384.823 3.427 20 0 GGADMN CC(C)(O)CN1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000175425895 1427748508 /nfs/dbraw/zinc/74/85/08/1427748508.db2.gz GEMUYRKHJRFXMA-FQEVSTJZSA-N 0 1 392.503 3.215 20 0 GGADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000175431080 1427751256 /nfs/dbraw/zinc/75/12/56/1427751256.db2.gz WJRVDDAVDYRWGW-IXDOHACOSA-N 0 1 393.959 3.281 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1)C(=O)N1CCCCC1 ZINC000175431128 1427751401 /nfs/dbraw/zinc/75/14/01/1427751401.db2.gz WJRVDDAVDYRWGW-IKGGRYGDSA-N 0 1 393.959 3.281 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)o1 ZINC000175431619 1427752332 /nfs/dbraw/zinc/75/23/32/1427752332.db2.gz BDFPZWVZNBRANY-DLBZAZTESA-N 0 1 375.469 3.313 20 0 GGADMN CCCCc1ccc(N(C)C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)cc1 ZINC000175455160 1427762856 /nfs/dbraw/zinc/76/28/56/1427762856.db2.gz BASWFOPHHKEBLD-UHFFFAOYSA-N 0 1 391.475 3.083 20 0 GGADMN CN(Cc1cc2ccccc2o1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175457220 1427765899 /nfs/dbraw/zinc/76/58/99/1427765899.db2.gz AWDCJDTUMYWRDT-UHFFFAOYSA-N 0 1 379.441 3.090 20 0 GGADMN NC(=O)C[C@H]1CCCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175460257 1427766772 /nfs/dbraw/zinc/76/67/72/1427766772.db2.gz UETMYTILTPIJTF-OXQOHEQNSA-N 0 1 376.460 3.413 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000826193291 1427770936 /nfs/dbraw/zinc/77/09/36/1427770936.db2.gz YZYSXVMCGJUSPP-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN Cn1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c(-c2ccccc2Cl)n1 ZINC000175473939 1427773706 /nfs/dbraw/zinc/77/37/06/1427773706.db2.gz JWXQHUUAZOYDNC-UHFFFAOYSA-N 0 1 379.811 3.173 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000175474326 1427774840 /nfs/dbraw/zinc/77/48/40/1427774840.db2.gz ZLCJSDVBVCGZRC-UHFFFAOYSA-N 0 1 387.374 3.489 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NC[C@@H](C)c3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000175484332 1427779990 /nfs/dbraw/zinc/77/99/90/1427779990.db2.gz FMXNYJLLHUKOPA-YGRLFVJLSA-N 0 1 398.294 3.307 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc([S@](C)=O)cc1 ZINC000824545459 1427788417 /nfs/dbraw/zinc/78/84/17/1427788417.db2.gz CPVNVXZHIVGONQ-GDPVIVIDSA-N 0 1 381.505 3.332 20 0 GGADMN FC(F)(F)c1cccc(-c2noc(CN3CCN(C4CCOCC4)CC3)n2)c1 ZINC000175497886 1427790173 /nfs/dbraw/zinc/79/01/73/1427790173.db2.gz HOLVTNNQSWBNQM-UHFFFAOYSA-N 0 1 396.413 3.052 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3ccc(N4CCNC4=O)cc3)CC2)CC1 ZINC000175506116 1427794067 /nfs/dbraw/zinc/79/40/67/1427794067.db2.gz RGAZDOLHEGOXIG-UHFFFAOYSA-N 0 1 398.551 3.189 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)CC1 ZINC000175508314 1427796150 /nfs/dbraw/zinc/79/61/50/1427796150.db2.gz IDVZRWXJJRTEHB-UHFFFAOYSA-N 0 1 381.524 3.240 20 0 GGADMN CC[C@@H](CNC(=O)CSc1nnc(C)[nH]1)Oc1ccccc1C(F)(F)F ZINC000175509675 1427796852 /nfs/dbraw/zinc/79/68/52/1427796852.db2.gz BCKANTVOPFQANB-NSHDSACASA-N 0 1 388.415 3.198 20 0 GGADMN CC[C@@H](CNC(=O)CSc1nc(C)n[nH]1)Oc1ccccc1C(F)(F)F ZINC000175509675 1427796856 /nfs/dbraw/zinc/79/68/56/1427796856.db2.gz BCKANTVOPFQANB-NSHDSACASA-N 0 1 388.415 3.198 20 0 GGADMN CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000175526030 1427804023 /nfs/dbraw/zinc/80/40/23/1427804023.db2.gz RAPGSISRNMJUQK-FGZHOGPDSA-N 0 1 386.584 3.209 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccccc3Cl)C(C)C)CCO2)n[nH]1 ZINC000175541826 1427809098 /nfs/dbraw/zinc/80/90/98/1427809098.db2.gz JFNWSLVJYFSSDS-CVEARBPZSA-N 0 1 377.876 3.247 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCO)[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000175546417 1427810738 /nfs/dbraw/zinc/81/07/38/1427810738.db2.gz SDWQEXIVHWJJDU-RTBURBONSA-N 0 1 387.549 3.432 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCO)[C@H]1CCCc2ccccc21)c1cccs1 ZINC000175546459 1427810852 /nfs/dbraw/zinc/81/08/52/1427810852.db2.gz SDWQEXIVHWJJDU-RBUKOAKNSA-N 0 1 387.549 3.432 20 0 GGADMN O=C(Nc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1)C1CCC1 ZINC000738184774 1427818245 /nfs/dbraw/zinc/81/82/45/1427818245.db2.gz UZTFZHWGKQTRDB-UHFFFAOYSA-N 0 1 399.458 3.188 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1cccc(F)c1 ZINC000175571318 1427818676 /nfs/dbraw/zinc/81/86/76/1427818676.db2.gz LKSPIUITNKDWNT-XHCCPWGMSA-N 0 1 391.512 3.007 20 0 GGADMN CCS[C@H]1CCC[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000175589188 1427823453 /nfs/dbraw/zinc/82/34/53/1427823453.db2.gz DMTSBIFANRKKAO-HKUYNNGSSA-N 0 1 376.570 3.410 20 0 GGADMN CCCCO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(C)C ZINC000175589509 1427824002 /nfs/dbraw/zinc/82/40/02/1427824002.db2.gz RFTYTKLVRYUXCA-PMACEKPBSA-N 0 1 388.556 3.329 20 0 GGADMN CCCCO[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(C)C ZINC000175589487 1427824105 /nfs/dbraw/zinc/82/41/05/1427824105.db2.gz RFTYTKLVRYUXCA-VQTJNVASSA-N 0 1 388.556 3.329 20 0 GGADMN CN(CCNC(=O)NCc1cccc(Cn2ccnc2)c1)Cc1ccc(F)cc1 ZINC000175594828 1427826160 /nfs/dbraw/zinc/82/61/60/1427826160.db2.gz VCDWABMVJPYAND-UHFFFAOYSA-N 0 1 395.482 3.002 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000175600674 1427827738 /nfs/dbraw/zinc/82/77/38/1427827738.db2.gz MKFMMUPHKMDWON-IBGZPJMESA-N 0 1 392.565 3.027 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@H](c2cccnc2)C(C)C)N(C)C)c1 ZINC000175624453 1427836325 /nfs/dbraw/zinc/83/63/25/1427836325.db2.gz SORNCBAZUKUXIQ-LEWJYISDSA-N 0 1 384.524 3.432 20 0 GGADMN CN(CCNC(=O)NCc1cnn(Cc2ccccc2)c1)Cc1ccc(F)cc1 ZINC000175628881 1427837269 /nfs/dbraw/zinc/83/72/69/1427837269.db2.gz QQHWYBNGXVXNLY-UHFFFAOYSA-N 0 1 395.482 3.002 20 0 GGADMN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000175629329 1427837777 /nfs/dbraw/zinc/83/77/77/1427837777.db2.gz RBUIMJZHMJRQNX-UHFFFAOYSA-N 0 1 394.903 3.017 20 0 GGADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000175635047 1427839347 /nfs/dbraw/zinc/83/93/47/1427839347.db2.gz BTKVOXVWXMMDGF-OAHLLOKOSA-N 0 1 398.482 3.203 20 0 GGADMN COc1ccc(CCC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1F ZINC000175646241 1427843060 /nfs/dbraw/zinc/84/30/60/1427843060.db2.gz MSCNETFNFPEJON-UHFFFAOYSA-N 0 1 392.515 3.166 20 0 GGADMN CCC(=O)Nc1cccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1 ZINC000175647137 1427843283 /nfs/dbraw/zinc/84/32/83/1427843283.db2.gz MCQZSAQYBMJRLP-UHFFFAOYSA-N 0 1 387.524 3.048 20 0 GGADMN CCc1ccc(C(C)(C)NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000175648078 1427843483 /nfs/dbraw/zinc/84/34/83/1427843483.db2.gz PPZQKHWRRFRXGR-UHFFFAOYSA-N 0 1 395.551 3.130 20 0 GGADMN Cc1cc(-c2cc(C(=O)N(C)Cc3nnc[nH]3)c3c(C)noc3n2)c(C)s1 ZINC000175652092 1427844927 /nfs/dbraw/zinc/84/49/27/1427844927.db2.gz OPVFMSCQYISFPW-UHFFFAOYSA-N 0 1 382.449 3.267 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000175653073 1427845236 /nfs/dbraw/zinc/84/52/36/1427845236.db2.gz GDLMPXMCIPGXHD-RTBURBONSA-N 0 1 376.570 3.410 20 0 GGADMN CCS[C@H]1CCC[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000175653090 1427845251 /nfs/dbraw/zinc/84/52/51/1427845251.db2.gz GDLMPXMCIPGXHD-MOPGFXCFSA-N 0 1 376.570 3.410 20 0 GGADMN COc1cccc(Cl)c1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175656986 1427846630 /nfs/dbraw/zinc/84/66/30/1427846630.db2.gz LNZZBNNZMUQTRY-UHFFFAOYSA-N 0 1 380.916 3.361 20 0 GGADMN O=C(C[C@H]1OCCc2ccccc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000175657428 1427847037 /nfs/dbraw/zinc/84/70/37/1427847037.db2.gz WYFBKENRQLGIRI-OAQYLSRUSA-N 0 1 386.536 3.089 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cccn1Cc1cccs1 ZINC000175673798 1427852505 /nfs/dbraw/zinc/85/25/05/1427852505.db2.gz ZLQZQOXKOMJLNA-UHFFFAOYSA-N 0 1 380.517 3.387 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)c2c(n1)onc2C(C)C ZINC000175677018 1427853502 /nfs/dbraw/zinc/85/35/02/1427853502.db2.gz SEOPMTILWTXIMX-UHFFFAOYSA-N 0 1 393.491 3.444 20 0 GGADMN Cc1csc(-c2ccc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2)n1 ZINC000175675981 1427853567 /nfs/dbraw/zinc/85/35/67/1427853567.db2.gz XJIWVWVDIDJHKW-UHFFFAOYSA-N 0 1 386.521 3.447 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175677337 1427853791 /nfs/dbraw/zinc/85/37/91/1427853791.db2.gz WTSMAQLATWZHRE-ZDUSSCGKSA-N 0 1 389.887 3.188 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@H]3C[C@]34CCc3ccccc34)c2)CC1 ZINC000175681429 1427855118 /nfs/dbraw/zinc/85/51/18/1427855118.db2.gz QWFORDXNXUXEPF-VWNXMTODSA-N 0 1 375.516 3.277 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccccc1S(C)(=O)=O)N(C)Cc1ccccc1 ZINC000175682531 1427855821 /nfs/dbraw/zinc/85/58/21/1427855821.db2.gz BOENHDVFACFSCT-INIZCTEOSA-N 0 1 389.521 3.122 20 0 GGADMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(N2CCOCC2)c1 ZINC000826288304 1427856445 /nfs/dbraw/zinc/85/64/45/1427856445.db2.gz ANNRSBNRDVEJAB-HNNXBMFYSA-N 0 1 396.470 3.002 20 0 GGADMN O=C(Nc1cccc(Oc2ccncc2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175705600 1427865012 /nfs/dbraw/zinc/86/50/12/1427865012.db2.gz VYVSYRBXGRKBMM-UHFFFAOYSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000175705942 1427865254 /nfs/dbraw/zinc/86/52/54/1427865254.db2.gz DNKQSWLXBDTROV-QWRGUYRKSA-N 0 1 375.391 3.249 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175708784 1427865905 /nfs/dbraw/zinc/86/59/05/1427865905.db2.gz LOCKILGDKCJOFE-NEPJUHHUSA-N 0 1 395.381 3.362 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3N3CCC(O)CC3)[nH]c21 ZINC000175708109 1427866045 /nfs/dbraw/zinc/86/60/45/1427866045.db2.gz WUFFYYDYHYQNAO-UHFFFAOYSA-N 0 1 378.476 3.404 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175716956 1427868681 /nfs/dbraw/zinc/86/86/81/1427868681.db2.gz DBFKCCFJNAGKOD-CABCVRRESA-N 0 1 385.430 3.130 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000175720344 1427869069 /nfs/dbraw/zinc/86/90/69/1427869069.db2.gz YUJBLPLZCSBCCQ-OLZOCXBDSA-N 0 1 386.887 3.093 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824546942 1427869263 /nfs/dbraw/zinc/86/92/63/1427869263.db2.gz LWBJTUAOZHDOLW-RHSMWYFYSA-N 0 1 386.500 3.307 20 0 GGADMN Cc1cnn(CC2CCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)CC2)c1 ZINC000822403550 1427870029 /nfs/dbraw/zinc/87/00/29/1427870029.db2.gz RCQVNNNETORETN-UHFFFAOYSA-N 0 1 388.479 3.145 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1ccco1 ZINC000175723887 1427870235 /nfs/dbraw/zinc/87/02/35/1427870235.db2.gz AEYAJIVXFZVCMO-MOPGFXCFSA-N 0 1 393.528 3.032 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1OC)c1ccccc1 ZINC000175735194 1427873583 /nfs/dbraw/zinc/87/35/83/1427873583.db2.gz MDRHICPUQQVQGT-FQEVSTJZSA-N 0 1 383.492 3.419 20 0 GGADMN COc1cc(C[N@@H+](C)C2CCC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821713315 1427877789 /nfs/dbraw/zinc/87/77/89/1427877789.db2.gz URQCZSAOHVOGNM-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN COc1cc(C[N@H+](C)C2CCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821713315 1427877796 /nfs/dbraw/zinc/87/77/96/1427877796.db2.gz URQCZSAOHVOGNM-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN COc1cc(C[N@@H+](C)C2CCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821713315 1427877799 /nfs/dbraw/zinc/87/77/99/1427877799.db2.gz URQCZSAOHVOGNM-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000175751169 1427878540 /nfs/dbraw/zinc/87/85/40/1427878540.db2.gz VORRVGWEBWXVPB-QUGAMOGWSA-N 0 1 375.494 3.366 20 0 GGADMN CCN(CC)C(=O)C1(NC(=O)CCc2nc3cccc(C)c3[nH]2)CCCCC1 ZINC000175753125 1427878908 /nfs/dbraw/zinc/87/89/08/1427878908.db2.gz KXYVRBCEFKVZMZ-UHFFFAOYSA-N 0 1 384.524 3.491 20 0 GGADMN CN1C(=O)COc2ccc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)cc21 ZINC000175754545 1427879520 /nfs/dbraw/zinc/87/95/20/1427879520.db2.gz RSSFAJUWOIRJOS-UHFFFAOYSA-N 0 1 382.807 3.338 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C)c(F)cc1F ZINC000175765078 1427884156 /nfs/dbraw/zinc/88/41/56/1427884156.db2.gz XFXMOOLKHPHYIC-UHFFFAOYSA-N 0 1 382.432 3.219 20 0 GGADMN CCCc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)n[nH]1 ZINC000175767649 1427885253 /nfs/dbraw/zinc/88/52/53/1427885253.db2.gz HFCYNBRGCFWFPN-UHFFFAOYSA-N 0 1 390.871 3.212 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCCCC1 ZINC000820357593 1427886526 /nfs/dbraw/zinc/88/65/26/1427886526.db2.gz IFSAYQDVLMKFJT-QFBILLFUSA-N 0 1 399.543 3.128 20 0 GGADMN C[C@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)c1cccc(O)c1 ZINC000175780310 1427889823 /nfs/dbraw/zinc/88/98/23/1427889823.db2.gz WRLQRLXVCFKFMG-KRWDZBQOSA-N 0 1 375.513 3.035 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824897841 1427892831 /nfs/dbraw/zinc/89/28/31/1427892831.db2.gz BQWLHGKCLRRVKU-CJNGLKHVSA-N 0 1 377.427 3.032 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824897841 1427892834 /nfs/dbraw/zinc/89/28/34/1427892834.db2.gz BQWLHGKCLRRVKU-CJNGLKHVSA-N 0 1 377.427 3.032 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824897841 1427892839 /nfs/dbraw/zinc/89/28/39/1427892839.db2.gz BQWLHGKCLRRVKU-CJNGLKHVSA-N 0 1 377.427 3.032 20 0 GGADMN Cc1ccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)c(OCC(=O)N(C)C)c1 ZINC000175791198 1427894116 /nfs/dbraw/zinc/89/41/16/1427894116.db2.gz CZPQGQLZHRYUKX-UHFFFAOYSA-N 0 1 394.475 3.218 20 0 GGADMN Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000175793919 1427895333 /nfs/dbraw/zinc/89/53/33/1427895333.db2.gz JIMRPLXXLFCQPI-IRXDYDNUSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)cc2)cc1 ZINC000175797550 1427896462 /nfs/dbraw/zinc/89/64/62/1427896462.db2.gz YFPCNKMNRSMCDR-AEFFLSMTSA-N 0 1 393.487 3.467 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826187780 1427898374 /nfs/dbraw/zinc/89/83/74/1427898374.db2.gz FDSASSLIDOKFBD-MRXNPFEDSA-N 0 1 392.507 3.191 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175803720 1427898614 /nfs/dbraw/zinc/89/86/14/1427898614.db2.gz JFKJCZKFKPPUHK-KRWDZBQOSA-N 0 1 393.409 3.371 20 0 GGADMN CCS[C@@H]1CCC[C@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000175804811 1427899206 /nfs/dbraw/zinc/89/92/06/1427899206.db2.gz WAFYFEMAWVSVIA-GOEBONIOSA-N 0 1 389.525 3.344 20 0 GGADMN CCS[C@@H]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C1 ZINC000175804811 1427899210 /nfs/dbraw/zinc/89/92/10/1427899210.db2.gz WAFYFEMAWVSVIA-GOEBONIOSA-N 0 1 389.525 3.344 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175806716 1427900720 /nfs/dbraw/zinc/90/07/20/1427900720.db2.gz GMHZJSODDHXPAC-SJORKVTESA-N 0 1 384.524 3.347 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000822192927 1427902660 /nfs/dbraw/zinc/90/26/60/1427902660.db2.gz GCACMQIIZISOIW-UHFFFAOYSA-N 0 1 377.496 3.477 20 0 GGADMN COc1ccc(NC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)c(C)c1 ZINC000175813452 1427905393 /nfs/dbraw/zinc/90/53/93/1427905393.db2.gz WHIGTXISATVWQL-SFHVURJKSA-N 0 1 382.508 3.336 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@@H](O)c1cccs1)NCCCOC1CCCCC1 ZINC000175820624 1427910145 /nfs/dbraw/zinc/91/01/45/1427910145.db2.gz SWCCTSVMVYDZLR-IEBWSBKVSA-N 0 1 394.581 3.492 20 0 GGADMN CCCN1CCN(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000175824675 1427913512 /nfs/dbraw/zinc/91/35/12/1427913512.db2.gz GMNXKLYXWAFTEK-UHFFFAOYSA-N 0 1 392.503 3.449 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000175826781 1427914090 /nfs/dbraw/zinc/91/40/90/1427914090.db2.gz ZKZCESUNWSGIKL-UHFFFAOYSA-N 0 1 394.353 3.347 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736254067 1427914430 /nfs/dbraw/zinc/91/44/30/1427914430.db2.gz XPUXBYVSJDZSKQ-BETUJISGSA-N 0 1 388.541 3.399 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736254067 1427914433 /nfs/dbraw/zinc/91/44/33/1427914433.db2.gz XPUXBYVSJDZSKQ-BETUJISGSA-N 0 1 388.541 3.399 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736254067 1427914435 /nfs/dbraw/zinc/91/44/35/1427914435.db2.gz XPUXBYVSJDZSKQ-BETUJISGSA-N 0 1 388.541 3.399 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000175829928 1427915846 /nfs/dbraw/zinc/91/58/46/1427915846.db2.gz HGXIQXHFSGLWBE-UHFFFAOYSA-N 0 1 393.476 3.393 20 0 GGADMN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc2[nH]nnc2c1 ZINC000175829217 1427915873 /nfs/dbraw/zinc/91/58/73/1427915873.db2.gz WZWZYPBSSPQCNS-UHFFFAOYSA-N 0 1 386.824 3.392 20 0 GGADMN Cc1ccc(OCc2nc(CC(=O)Nc3ccc4[nH]nnc4c3)cs2)cc1 ZINC000175828870 1427915922 /nfs/dbraw/zinc/91/59/22/1427915922.db2.gz PZBOQBWHOZGVSB-UHFFFAOYSA-N 0 1 379.445 3.483 20 0 GGADMN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc3[nH]nnc3c2)cc1Cl ZINC000175829864 1427916013 /nfs/dbraw/zinc/91/60/13/1427916013.db2.gz BUTCBHUYDXDDBL-UHFFFAOYSA-N 0 1 399.867 3.231 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000175835286 1427919186 /nfs/dbraw/zinc/91/91/86/1427919186.db2.gz NAVUZJXARYVKIC-UHFFFAOYSA-N 0 1 384.399 3.437 20 0 GGADMN Cn1c(C(=O)N2CCN(C3CCOCC3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC000175838152 1427920991 /nfs/dbraw/zinc/92/09/91/1427920991.db2.gz ARLCXTIGUHFFHX-UHFFFAOYSA-N 0 1 395.425 3.134 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Br)cn1 ZINC000735874150 1427921237 /nfs/dbraw/zinc/92/12/37/1427921237.db2.gz NPDMWKXYANTAPP-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C2CCOCC2)CC1 ZINC000175842207 1427924313 /nfs/dbraw/zinc/92/43/13/1427924313.db2.gz LUAREKMOVBNZBW-UHFFFAOYSA-N 0 1 386.467 3.342 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000175842372 1427924869 /nfs/dbraw/zinc/92/48/69/1427924869.db2.gz NABHDGFHNLQGCY-IAGOWNOFSA-N 0 1 382.426 3.132 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175844285 1427926061 /nfs/dbraw/zinc/92/60/61/1427926061.db2.gz IJWANFDKYIJBBN-OAHLLOKOSA-N 0 1 384.442 3.207 20 0 GGADMN Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000175845806 1427927980 /nfs/dbraw/zinc/92/79/80/1427927980.db2.gz FZVPOAJHFNDGQM-UHFFFAOYSA-N 0 1 377.444 3.106 20 0 GGADMN CCOc1cccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175846106 1427928121 /nfs/dbraw/zinc/92/81/21/1427928121.db2.gz MOTVPFCFPQWYKM-HKUYNNGSSA-N 0 1 388.533 3.351 20 0 GGADMN CCOc1cccc(CNC(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175846086 1427928195 /nfs/dbraw/zinc/92/81/95/1427928195.db2.gz MOTVPFCFPQWYKM-MJGOQNOKSA-N 0 1 388.533 3.351 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC000175846781 1427928518 /nfs/dbraw/zinc/92/85/18/1427928518.db2.gz ORGHPTQMLXESBI-KBXCAEBGSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000175847308 1427928904 /nfs/dbraw/zinc/92/89/04/1427928904.db2.gz ULFVTXBNFHRBLH-GOEBONIOSA-N 0 1 379.913 3.066 20 0 GGADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175851690 1427932769 /nfs/dbraw/zinc/93/27/69/1427932769.db2.gz XFDBAVZEXBFLOD-IBGZPJMESA-N 0 1 394.515 3.444 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000175852730 1427933525 /nfs/dbraw/zinc/93/35/25/1427933525.db2.gz MUKMSTYSEMYQAM-UHFFFAOYSA-N 0 1 384.358 3.192 20 0 GGADMN O=C(c1ccc(COc2ccccc2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175855867 1427934823 /nfs/dbraw/zinc/93/48/23/1427934823.db2.gz YSXXAIMBCVXYGN-UHFFFAOYSA-N 0 1 380.488 3.202 20 0 GGADMN CN(c1ccccc1)c1ccccc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175857349 1427935505 /nfs/dbraw/zinc/93/55/05/1427935505.db2.gz JZTAOGOBCLZBNJ-UHFFFAOYSA-N 0 1 379.504 3.391 20 0 GGADMN Cc1cc(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2cccs2)n(C)n1 ZINC000175858725 1427936102 /nfs/dbraw/zinc/93/61/02/1427936102.db2.gz QKFFEIIVVVLTJR-HOTGVXAUSA-N 0 1 376.526 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)N1[C@H](C)CC[C@@H]1C ZINC000175858096 1427936134 /nfs/dbraw/zinc/93/61/34/1427936134.db2.gz CWAWWXHZHDHCGX-ZNMIVQPWSA-N 0 1 382.464 3.173 20 0 GGADMN C[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1c(F)cccc1Cl ZINC000175860976 1427938206 /nfs/dbraw/zinc/93/82/06/1427938206.db2.gz KJRDQXZCZFSOMK-QMMMGPOBSA-N 0 1 377.828 3.495 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094827 1427939179 /nfs/dbraw/zinc/93/91/79/1427939179.db2.gz IQUOZLXKPSASAC-KURKYZTESA-N 0 1 383.496 3.342 20 0 GGADMN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1cccs1)NC(=O)NC1CCCC1 ZINC000175862991 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ZINC000175892301 1427954650 /nfs/dbraw/zinc/95/46/50/1427954650.db2.gz DCNCBARRMRENPE-QGZVFWFLSA-N 0 1 380.536 3.095 20 0 GGADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175891857 1427954688 /nfs/dbraw/zinc/95/46/88/1427954688.db2.gz UPJSAMNCABNVQE-DYESRHJHSA-N 0 1 389.515 3.421 20 0 GGADMN C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530282 1427955317 /nfs/dbraw/zinc/95/53/17/1427955317.db2.gz KLZFKFHDHDWORW-KUHUBIRLSA-N 0 1 394.454 3.020 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1cccs1 ZINC000175909788 1427966073 /nfs/dbraw/zinc/96/60/73/1427966073.db2.gz NNVHCYXLUXGRSO-OALUTQOASA-N 0 1 387.549 3.432 20 0 GGADMN CC1(C)C[C@@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)CN1Cc1ccccc1 ZINC000824791223 1427966163 /nfs/dbraw/zinc/96/61/63/1427966163.db2.gz XOVHNPOGTPGWKZ-HXUWFJFHSA-N 0 1 388.519 3.499 20 0 GGADMN COC(=O)CC[N@@H+](Cc1csc(CCc2ccccc2)n1)C1CCOCC1 ZINC000175910968 1427966900 /nfs/dbraw/zinc/96/69/00/1427966900.db2.gz 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ZINC000175930731 1427980279 /nfs/dbraw/zinc/98/02/79/1427980279.db2.gz DTLXFZWFGLZMAZ-HXUWFJFHSA-N 0 1 388.556 3.457 20 0 GGADMN COc1ccc(CN(C)C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1 ZINC000175935344 1427982731 /nfs/dbraw/zinc/98/27/31/1427982731.db2.gz BLKNEMLNLOMNJN-UHFFFAOYSA-N 0 1 389.540 3.119 20 0 GGADMN COc1ccccc1C[C@@H](C)CC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000175936534 1427983273 /nfs/dbraw/zinc/98/32/73/1427983273.db2.gz FUIZRSMCKQNGJJ-RTBURBONSA-N 0 1 388.552 3.414 20 0 GGADMN c1ccc([C@@H]2C[N@@H+](CCCOc3cccc(-c4nnn[n-]4)c3)CCCO2)cc1 ZINC000823780185 1427983307 /nfs/dbraw/zinc/98/33/07/1427983307.db2.gz PFZDOWARSFFULT-FQEVSTJZSA-N 0 1 379.464 3.099 20 0 GGADMN c1ccc([C@@H]2C[N@H+](CCCOc3cccc(-c4nn[n-]n4)c3)CCCO2)cc1 ZINC000823780185 1427983313 /nfs/dbraw/zinc/98/33/13/1427983313.db2.gz PFZDOWARSFFULT-FQEVSTJZSA-N 0 1 379.464 3.099 20 0 GGADMN c1ccc([C@@H]2C[N@@H+](CCCOc3cccc(-c4nn[n-]n4)c3)CCCO2)cc1 ZINC000823780185 1427983316 /nfs/dbraw/zinc/98/33/16/1427983316.db2.gz PFZDOWARSFFULT-FQEVSTJZSA-N 0 1 379.464 3.099 20 0 GGADMN COc1ccccc1C[C@@H](C)CC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000175936499 1427983532 /nfs/dbraw/zinc/98/35/32/1427983532.db2.gz FUIZRSMCKQNGJJ-MOPGFXCFSA-N 0 1 388.552 3.414 20 0 GGADMN Cc1cc(-c2cc(C(=O)N[C@@H](C)c3nnc[nH]3)c3c(C)noc3n2)c(C)s1 ZINC000175937896 1427984087 /nfs/dbraw/zinc/98/40/87/1427984087.db2.gz CDYFAELFSBXTNG-JTQLQIEISA-N 0 1 382.449 3.486 20 0 GGADMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3nnc4ccccc4c3O)cc2)n1 ZINC000175940768 1427985882 /nfs/dbraw/zinc/98/58/82/1427985882.db2.gz YGAXSWYMPYQBNX-HNNXBMFYSA-N 0 1 387.443 3.217 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cnn(Cc2ccccn2)c1 ZINC000175941807 1427986127 /nfs/dbraw/zinc/98/61/27/1427986127.db2.gz WXSCBYBCAPMMTI-LJQANCHMSA-N 0 1 394.479 3.268 20 0 GGADMN CN(CCNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccc(F)cc1 ZINC000175943971 1427987326 /nfs/dbraw/zinc/98/73/26/1427987326.db2.gz GIWCPTFFXDTMOV-HXUWFJFHSA-N 0 1 389.446 3.180 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821596596 1427987587 /nfs/dbraw/zinc/98/75/87/1427987587.db2.gz PIFREQBCONLUHD-INIZCTEOSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821596596 1427987588 /nfs/dbraw/zinc/98/75/88/1427987588.db2.gz PIFREQBCONLUHD-INIZCTEOSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821596596 1427987592 /nfs/dbraw/zinc/98/75/92/1427987592.db2.gz PIFREQBCONLUHD-INIZCTEOSA-N 0 1 382.899 3.478 20 0 GGADMN CN(CCNC(=O)N1CCO[C@@H](c2ccccc2F)C1)Cc1ccc(F)cc1 ZINC000175945661 1427988239 /nfs/dbraw/zinc/98/82/39/1427988239.db2.gz YKORBHFGOZVQMF-HXUWFJFHSA-N 0 1 389.446 3.180 20 0 GGADMN C[N@@H+](CCNC(=O)N(Cc1ccco1)C[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000175954212 1427994969 /nfs/dbraw/zinc/99/49/69/1427994969.db2.gz DXYVYDVLIMWGIO-HXUWFJFHSA-N 0 1 389.471 3.241 20 0 GGADMN CN(CCNC(=O)N(Cc1ccco1)C[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000175954212 1427994976 /nfs/dbraw/zinc/99/49/76/1427994976.db2.gz DXYVYDVLIMWGIO-HXUWFJFHSA-N 0 1 389.471 3.241 20 0 GGADMN C[N@@H+](CCNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000175954194 1427995070 /nfs/dbraw/zinc/99/50/70/1427995070.db2.gz DXYVYDVLIMWGIO-FQEVSTJZSA-N 0 1 389.471 3.241 20 0 GGADMN CN(CCNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000175954194 1427995073 /nfs/dbraw/zinc/99/50/73/1427995073.db2.gz DXYVYDVLIMWGIO-FQEVSTJZSA-N 0 1 389.471 3.241 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCN(C)Cc1ccccc1 ZINC000175957276 1427996269 /nfs/dbraw/zinc/99/62/69/1427996269.db2.gz XGLWPPSGBJEFHI-UHFFFAOYSA-N 0 1 393.409 3.201 20 0 GGADMN O=c1[nH]c(CCN2CC[C@H](OCCCc3ccccc3)C2)nc2ccccc21 ZINC000175956273 1427996621 /nfs/dbraw/zinc/99/66/21/1427996621.db2.gz AMUMTFWGRPNGIO-IBGZPJMESA-N 0 1 377.488 3.189 20 0 GGADMN O=c1c2ccccc2ncn1CCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000175961175 1427999813 /nfs/dbraw/zinc/99/98/13/1427999813.db2.gz RGIWKUMKZAOLIL-FQEVSTJZSA-N 0 1 377.488 3.120 20 0 GGADMN CCC(C)(C)CC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000820847348 1428002594 /nfs/dbraw/zinc/00/25/94/1428002594.db2.gz BIJZCHUTJWRPCM-UHFFFAOYSA-N 0 1 385.472 3.063 20 0 GGADMN O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1nnc2ccccc2c1O ZINC000175970364 1428005069 /nfs/dbraw/zinc/00/50/69/1428005069.db2.gz YCTICPINNWSYSZ-UHFFFAOYSA-N 0 1 398.325 3.432 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)C1 ZINC000175982687 1428012440 /nfs/dbraw/zinc/01/24/40/1428012440.db2.gz UNCLNKPGHJZQOQ-UYAOXDASSA-N 0 1 389.540 3.290 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)CCCc3csc(C)n3)n2)c(OC)c1 ZINC000175985298 1428012722 /nfs/dbraw/zinc/01/27/22/1428012722.db2.gz OARYFCAONMRDJQ-UHFFFAOYSA-N 0 1 387.465 3.215 20 0 GGADMN Cn1cc(C[NH2+]C[C@H]2CCc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361016 1428017051 /nfs/dbraw/zinc/01/70/51/1428017051.db2.gz HVEPEUKOUJDPGA-GOSISDBHSA-N 0 1 385.475 3.087 20 0 GGADMN Cc1cccc([C@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nnn[n-]3)C2)c1 ZINC000826297943 1428017821 /nfs/dbraw/zinc/01/78/21/1428017821.db2.gz XRNCUPXHGTZCBD-HNNXBMFYSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1cccc([C@H]2CC[N@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)c1 ZINC000826297943 1428017828 /nfs/dbraw/zinc/01/78/28/1428017828.db2.gz XRNCUPXHGTZCBD-HNNXBMFYSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1cccc([C@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)c1 ZINC000826297943 1428017837 /nfs/dbraw/zinc/01/78/37/1428017837.db2.gz XRNCUPXHGTZCBD-HNNXBMFYSA-N 0 1 382.493 3.055 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176024420 1428033568 /nfs/dbraw/zinc/03/35/68/1428033568.db2.gz VPQBIOKOJQKCBB-UHFFFAOYSA-N 0 1 386.418 3.043 20 0 GGADMN CC[NH+](CC)CC1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000821188910 1428033926 /nfs/dbraw/zinc/03/39/26/1428033926.db2.gz FXUCHOPQESURLB-UHFFFAOYSA-N 0 1 382.434 3.444 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000176038585 1428040524 /nfs/dbraw/zinc/04/05/24/1428040524.db2.gz NNBDONZYHCQKIA-UHFFFAOYSA-N 0 1 396.466 3.307 20 0 GGADMN Cc1ccc(SCCNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176039378 1428040749 /nfs/dbraw/zinc/04/07/49/1428040749.db2.gz DVYQWXWVCBZROT-UHFFFAOYSA-N 0 1 386.521 3.069 20 0 GGADMN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176040061 1428041551 /nfs/dbraw/zinc/04/15/51/1428041551.db2.gz NFBVONWEAUMPON-LJQANCHMSA-N 0 1 383.496 3.247 20 0 GGADMN CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825439592 1428042538 /nfs/dbraw/zinc/04/25/38/1428042538.db2.gz GICOFTIQZUNHJA-UHFFFAOYSA-N 0 1 379.493 3.351 20 0 GGADMN CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176040397 1428042883 /nfs/dbraw/zinc/04/28/83/1428042883.db2.gz DNBPAOKWHBZKMU-LJQANCHMSA-N 0 1 382.508 3.332 20 0 GGADMN CCCCCn1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c(C)n1 ZINC000825281364 1428042908 /nfs/dbraw/zinc/04/29/08/1428042908.db2.gz BFMFCIZRCKBXNB-UHFFFAOYSA-N 0 1 376.468 3.144 20 0 GGADMN Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)C2)c1 ZINC000822373865 1428043217 /nfs/dbraw/zinc/04/32/17/1428043217.db2.gz FKBAJSTUTCDEOJ-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000176042505 1428044922 /nfs/dbraw/zinc/04/49/22/1428044922.db2.gz UABFUEQEOFKYBP-FQEVSTJZSA-N 0 1 394.519 3.476 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1cc(Br)cs1 ZINC000176043201 1428045431 /nfs/dbraw/zinc/04/54/31/1428045431.db2.gz KRPAVIRRZBBSLK-UHFFFAOYSA-N 0 1 382.355 3.433 20 0 GGADMN C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176047622 1428048506 /nfs/dbraw/zinc/04/85/06/1428048506.db2.gz MUIVDDYHRYDRMG-GFCCVEGCSA-N 0 1 390.434 3.350 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176048881 1428048868 /nfs/dbraw/zinc/04/88/68/1428048868.db2.gz NWQYXQHOUXZCQY-KBXCAEBGSA-N 0 1 398.482 3.396 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176048828 1428049323 /nfs/dbraw/zinc/04/93/23/1428049323.db2.gz NWQYXQHOUXZCQY-KDOFPFPSSA-N 0 1 398.482 3.396 20 0 GGADMN Cc1ccc(C[C@H](C)NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(C)c1 ZINC000176050973 1428050462 /nfs/dbraw/zinc/05/04/62/1428050462.db2.gz DFBBIJRJXSVRIU-INIZCTEOSA-N 0 1 382.508 3.217 20 0 GGADMN COc1ccc(C(=O)CCC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1F ZINC000176050151 1428050545 /nfs/dbraw/zinc/05/05/45/1428050545.db2.gz HOCRLLMWJWJPBO-INIZCTEOSA-N 0 1 386.467 3.434 20 0 GGADMN Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(C)c1 ZINC000176050956 1428050715 /nfs/dbraw/zinc/05/07/15/1428050715.db2.gz DFBBIJRJXSVRIU-MRXNPFEDSA-N 0 1 382.508 3.217 20 0 GGADMN COc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176050124 1428050869 /nfs/dbraw/zinc/05/08/69/1428050869.db2.gz MOGOJQCRNGBFJI-LJQANCHMSA-N 0 1 396.491 3.225 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176052147 1428052295 /nfs/dbraw/zinc/05/22/95/1428052295.db2.gz CLKCVMZQDBZBRO-AWEZNQCLSA-N 0 1 384.480 3.129 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000176054281 1428053537 /nfs/dbraw/zinc/05/35/37/1428053537.db2.gz MBNFGRALEJGWCK-UHFFFAOYSA-N 0 1 386.883 3.091 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC(C)(C)Cc1ccccc1 ZINC000176054582 1428053841 /nfs/dbraw/zinc/05/38/41/1428053841.db2.gz MMAUNRHLCOFFMN-UHFFFAOYSA-N 0 1 382.508 3.238 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1ccco1 ZINC000176056082 1428055138 /nfs/dbraw/zinc/05/51/38/1428055138.db2.gz ZQIODVJMJCXOAX-QGZVFWFLSA-N 0 1 390.459 3.325 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1nc2ccccc2s1 ZINC000176056163 1428055937 /nfs/dbraw/zinc/05/59/37/1428055937.db2.gz JWEFKLAOAGTUFD-UHFFFAOYSA-N 0 1 397.504 3.121 20 0 GGADMN COc1ccc([C@@H](C)CCNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176056865 1428056714 /nfs/dbraw/zinc/05/67/14/1428056714.db2.gz YMTZZVPGMBKWQO-HNNXBMFYSA-N 0 1 398.507 3.171 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)CCCCc1ccccc1 ZINC000176058349 1428057275 /nfs/dbraw/zinc/05/72/75/1428057275.db2.gz DGAYCTJWUMQJRU-UHFFFAOYSA-N 0 1 382.508 3.334 20 0 GGADMN Cc1ccccc1OCCCN(C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176058158 1428057525 /nfs/dbraw/zinc/05/75/25/1428057525.db2.gz KUHVVTBWAHLSMH-UHFFFAOYSA-N 0 1 398.507 3.088 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1CCCC[C@H]1CO ZINC000176058146 1428057610 /nfs/dbraw/zinc/05/76/10/1428057610.db2.gz KVEALORWSNOEJB-AZUAARDMSA-N 0 1 393.959 3.402 20 0 GGADMN Cc1c(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)oc2ccc(F)cc12 ZINC000176059523 1428058023 /nfs/dbraw/zinc/05/80/23/1428058023.db2.gz AYTWKMLXPXAXEY-UHFFFAOYSA-N 0 1 398.438 3.363 20 0 GGADMN Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176059309 1428058148 /nfs/dbraw/zinc/05/81/48/1428058148.db2.gz XXFRESYMQXMBDL-MRXNPFEDSA-N 0 1 382.508 3.217 20 0 GGADMN CC(C)COc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176060754 1428059373 /nfs/dbraw/zinc/05/93/73/1428059373.db2.gz LWCZSHFLOOGCEZ-UHFFFAOYSA-N 0 1 398.507 3.204 20 0 GGADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230977 1428065623 /nfs/dbraw/zinc/06/56/23/1428065623.db2.gz WQQKDOFFNZHYES-RXVVDRJESA-N 0 1 393.491 3.060 20 0 GGADMN CC(C)CCOc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000176075296 1428068978 /nfs/dbraw/zinc/06/89/78/1428068978.db2.gz FHHNBYIYQOERQL-UHFFFAOYSA-N 0 1 375.513 3.440 20 0 GGADMN C[C@H](NC(=O)C(F)(F)C(F)F)c1cc2c(cc1Br)OCCO2 ZINC000176074740 1428069132 /nfs/dbraw/zinc/06/91/32/1428069132.db2.gz CDWMOJAJUKLCMI-LURJTMIESA-N 0 1 386.139 3.298 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(CCO)[C@H]2CCc3ccccc32)N2CCCC2)o1 ZINC000176079827 1428072117 /nfs/dbraw/zinc/07/21/17/1428072117.db2.gz QCWASFWENHTANL-LEWJYISDSA-N 0 1 397.519 3.416 20 0 GGADMN COc1ccc(C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cc1-c1nn[n-]n1 ZINC000826201928 1428081128 /nfs/dbraw/zinc/08/11/28/1428081128.db2.gz ILHBQBFIJHHYRZ-SFHVURJKSA-N 0 1 394.435 3.209 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000822732870 1428082292 /nfs/dbraw/zinc/08/22/92/1428082292.db2.gz NEGMHFWQIAHYAG-INIZCTEOSA-N 0 1 393.438 3.392 20 0 GGADMN FC(F)Oc1cc(-c2nn[n-]n2)ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000822732870 1428082300 /nfs/dbraw/zinc/08/23/00/1428082300.db2.gz NEGMHFWQIAHYAG-INIZCTEOSA-N 0 1 393.438 3.392 20 0 GGADMN FC(F)Oc1cc(-c2nn[n-]n2)ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000822732870 1428082307 /nfs/dbraw/zinc/08/23/07/1428082307.db2.gz NEGMHFWQIAHYAG-INIZCTEOSA-N 0 1 393.438 3.392 20 0 GGADMN C[C@]1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCN(C(=O)c2ccccc2)C1 ZINC000176111539 1428089460 /nfs/dbraw/zinc/08/94/60/1428089460.db2.gz OXUITKIXEJUPQT-QFIPXVFZSA-N 0 1 394.450 3.261 20 0 GGADMN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3nc4ccc(F)cc4[nH]3)n2)n1 ZINC000176112435 1428089709 /nfs/dbraw/zinc/08/97/09/1428089709.db2.gz HRACAIFTPCPSKN-UHFFFAOYSA-N 0 1 398.829 3.483 20 0 GGADMN CC(=O)CCc1ccc(OCCC(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176120136 1428094769 /nfs/dbraw/zinc/09/47/69/1428094769.db2.gz HFFYVCCOVHFZPF-UHFFFAOYSA-N 0 1 383.423 3.309 20 0 GGADMN CC(C)c1nc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1-c1ccccc1F ZINC000176121312 1428095890 /nfs/dbraw/zinc/09/58/90/1428095890.db2.gz LAGILZXLVPILSO-UHFFFAOYSA-N 0 1 396.401 3.475 20 0 GGADMN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176121278 1428096116 /nfs/dbraw/zinc/09/61/16/1428096116.db2.gz WNQCMYJCAWLYRD-BHDDXSALSA-N 0 1 385.552 3.152 20 0 GGADMN CCCC[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000176125435 1428098328 /nfs/dbraw/zinc/09/83/28/1428098328.db2.gz OPAFUKBCXMXPDZ-NQIIRXRSSA-N 0 1 389.540 3.290 20 0 GGADMN Cc1cc(C)c(N2C[C@@H](C(=O)NCc3nc4ccc(F)cc4[nH]3)CC2=O)c(C)c1 ZINC000176129911 1428104612 /nfs/dbraw/zinc/10/46/12/1428104612.db2.gz POXQUCMHZMURMI-HNNXBMFYSA-N 0 1 394.450 3.297 20 0 GGADMN CCSc1ccc([C@@H](C)NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000176130754 1428104759 /nfs/dbraw/zinc/10/47/59/1428104759.db2.gz YPWBACVGHRXABX-SJORKVTESA-N 0 1 377.554 3.223 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820706357 1428108821 /nfs/dbraw/zinc/10/88/21/1428108821.db2.gz YXWZOIYJRNZQPO-INIZCTEOSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820706357 1428108826 /nfs/dbraw/zinc/10/88/26/1428108826.db2.gz YXWZOIYJRNZQPO-INIZCTEOSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820706357 1428108830 /nfs/dbraw/zinc/10/88/30/1428108830.db2.gz YXWZOIYJRNZQPO-INIZCTEOSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820706357 1428108833 /nfs/dbraw/zinc/10/88/33/1428108833.db2.gz YXWZOIYJRNZQPO-INIZCTEOSA-N 0 1 395.555 3.231 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000176137312 1428111262 /nfs/dbraw/zinc/11/12/62/1428111262.db2.gz WBRKZRQLPHWPPR-UHFFFAOYSA-N 0 1 382.439 3.466 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)C(O)(c1ccccc1)c1ccccc1 ZINC000176140267 1428113316 /nfs/dbraw/zinc/11/33/16/1428113316.db2.gz QMYUZBPTSBUUHI-UHFFFAOYSA-N 0 1 389.430 3.297 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@H](C1CCCC1)C(F)(F)F ZINC000176143907 1428116015 /nfs/dbraw/zinc/11/60/15/1428116015.db2.gz PKBNKOAIWYCKAS-OAHLLOKOSA-N 0 1 399.438 3.313 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@@H](C1CCCC1)C(F)(F)F ZINC000176143893 1428116045 /nfs/dbraw/zinc/11/60/45/1428116045.db2.gz PKBNKOAIWYCKAS-HNNXBMFYSA-N 0 1 399.438 3.313 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)cc2)CC1 ZINC000176145420 1428117233 /nfs/dbraw/zinc/11/72/33/1428117233.db2.gz BZZWHYMQKKNTSK-SFHVURJKSA-N 0 1 383.458 3.285 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176149842 1428120227 /nfs/dbraw/zinc/12/02/27/1428120227.db2.gz OLQZUWHDMAKZIR-AWEZNQCLSA-N 0 1 390.459 3.150 20 0 GGADMN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000176161715 1428128458 /nfs/dbraw/zinc/12/84/58/1428128458.db2.gz HRYPRVLFHCKNGY-QHCPKHFHSA-N 0 1 393.531 3.477 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826183373 1428132822 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GGADMN CCCCOc1ccc([C@H](C)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000180336884 1429839105 /nfs/dbraw/zinc/83/91/05/1429839105.db2.gz UCTMBGMWMKQLON-ZACQAIPSSA-N 0 1 378.513 3.161 20 0 GGADMN CCCCOc1ccc([C@@H](C)NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000180336838 1429839203 /nfs/dbraw/zinc/83/92/03/1429839203.db2.gz UCTMBGMWMKQLON-IXDOHACOSA-N 0 1 378.513 3.161 20 0 GGADMN CCC(CC)n1nc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1C ZINC000180338129 1429839555 /nfs/dbraw/zinc/83/95/55/1429839555.db2.gz RQYXTKUQZPINQP-UHFFFAOYSA-N 0 1 379.482 3.304 20 0 GGADMN CC(C)(O)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000180348222 1429842024 /nfs/dbraw/zinc/84/20/24/1429842024.db2.gz DNBIHSYWWPCLPD-UHFFFAOYSA-N 0 1 396.535 3.029 20 0 GGADMN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000180348196 1429842106 /nfs/dbraw/zinc/84/21/06/1429842106.db2.gz VMOCMTCZXUMVBW-UHFFFAOYSA-N 0 1 375.425 3.141 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC[C@H]1CCO ZINC000180353167 1429843598 /nfs/dbraw/zinc/84/35/98/1429843598.db2.gz USNKVAYYSROSAV-OALUTQOASA-N 0 1 379.932 3.423 20 0 GGADMN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccccc3C(N)=O)oc21 ZINC000180355996 1429844662 /nfs/dbraw/zinc/84/46/62/1429844662.db2.gz ZWBZILRZZFOBSP-ZDUSSCGKSA-N 0 1 381.432 3.220 20 0 GGADMN CCOc1cccc2cc([C@@H](C)NCC(=O)NC(=O)NCc3ccco3)oc21 ZINC000180358655 1429845658 /nfs/dbraw/zinc/84/56/58/1429845658.db2.gz JVHKITARMWXQFR-CYBMUJFWSA-N 0 1 385.420 3.101 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2F)N2CCCC2)cc1 ZINC000180370598 1429848886 /nfs/dbraw/zinc/84/88/86/1429848886.db2.gz CXJIQDHFXMIOKI-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1F)N1CCCC1 ZINC000180374816 1429849837 /nfs/dbraw/zinc/84/98/37/1429849837.db2.gz IAJQMNUIFIVQCT-GOSISDBHSA-N 0 1 399.466 3.035 20 0 GGADMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)c1F ZINC000180376211 1429850066 /nfs/dbraw/zinc/85/00/66/1429850066.db2.gz JKSZTWVEXLJVKI-OAHLLOKOSA-N 0 1 375.469 3.087 20 0 GGADMN O=C(CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCC1CC1 ZINC000180383635 1429852464 /nfs/dbraw/zinc/85/24/64/1429852464.db2.gz RZLRJIAIUNWOJG-UHFFFAOYSA-N 0 1 378.451 3.294 20 0 GGADMN O=C(CNCc1cn(Cc2ccccc2)nc1-c1cccs1)NCC1CC1 ZINC000180385008 1429852797 /nfs/dbraw/zinc/85/27/97/1429852797.db2.gz XSKIBYUQIFHZKX-UHFFFAOYSA-N 0 1 380.517 3.276 20 0 GGADMN CC[C@H](C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1)c1ccc(OC)cc1 ZINC000180391208 1429854135 /nfs/dbraw/zinc/85/41/35/1429854135.db2.gz WDZKKNFNQMAAOH-SFHVURJKSA-N 0 1 380.448 3.299 20 0 GGADMN CC[C@H](C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1)c1ccc(OC)cc1 ZINC000180391208 1429854137 /nfs/dbraw/zinc/85/41/37/1429854137.db2.gz WDZKKNFNQMAAOH-SFHVURJKSA-N 0 1 380.448 3.299 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc(=O)[nH]1 ZINC000180411497 1429861388 /nfs/dbraw/zinc/86/13/88/1429861388.db2.gz SAQZYGOXSIAUMW-MRXNPFEDSA-N 0 1 379.382 3.119 20 0 GGADMN Cc1ncc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(C)n1 ZINC000180411465 1429861424 /nfs/dbraw/zinc/86/14/24/1429861424.db2.gz PXMJDNOFAMGZMS-INIZCTEOSA-N 0 1 378.398 3.117 20 0 GGADMN O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[O-] ZINC000180422870 1429864940 /nfs/dbraw/zinc/86/49/40/1429864940.db2.gz KSGLSQQRXCEVOD-GVLJNOETSA-N 0 1 389.839 3.140 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCCC[C@H]1CCO)N1CCCCC1 ZINC000180427591 1429867083 /nfs/dbraw/zinc/86/70/83/1429867083.db2.gz GUTMFQCKMDKYAD-AZUAARDMSA-N 0 1 389.540 3.169 20 0 GGADMN FC(F)(F)COCCCN1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000180431217 1429867793 /nfs/dbraw/zinc/86/77/93/1429867793.db2.gz NBOOGFOFHMYVDD-UHFFFAOYSA-N 0 1 386.443 3.296 20 0 GGADMN CC(C)(C)OC(=O)N1CCN(CCN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180442990 1429870617 /nfs/dbraw/zinc/87/06/17/1429870617.db2.gz KLASJVPHDXYBDL-OAQYLSRUSA-N 0 1 396.535 3.313 20 0 GGADMN CC[N@@H+](CCc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825428087 1429871145 /nfs/dbraw/zinc/87/11/45/1429871145.db2.gz BEMCABDLSUSBON-UHFFFAOYSA-N 0 1 393.520 3.393 20 0 GGADMN CC[N@H+](CCc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825428087 1429871152 /nfs/dbraw/zinc/87/11/52/1429871152.db2.gz BEMCABDLSUSBON-UHFFFAOYSA-N 0 1 393.520 3.393 20 0 GGADMN CC[N@@H+](CCc1cccs1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825428087 1429871159 /nfs/dbraw/zinc/87/11/59/1429871159.db2.gz BEMCABDLSUSBON-UHFFFAOYSA-N 0 1 393.520 3.393 20 0 GGADMN COc1cc(CN2CCS[C@H]3COCC[C@@H]32)ccc1OCc1ccncc1 ZINC000180453230 1429872932 /nfs/dbraw/zinc/87/29/32/1429872932.db2.gz CPFGIIFKOMAFLB-RXVVDRJESA-N 0 1 386.517 3.376 20 0 GGADMN O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000738383295 1429873632 /nfs/dbraw/zinc/87/36/32/1429873632.db2.gz ANUFFJMHPJKRKE-FPOVZHCZSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000738383295 1429873640 /nfs/dbraw/zinc/87/36/40/1429873640.db2.gz ANUFFJMHPJKRKE-FPOVZHCZSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000738383295 1429873647 /nfs/dbraw/zinc/87/36/47/1429873647.db2.gz ANUFFJMHPJKRKE-FPOVZHCZSA-N 0 1 388.475 3.208 20 0 GGADMN COc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1OCc1cccnc1 ZINC000180457500 1429874080 /nfs/dbraw/zinc/87/40/80/1429874080.db2.gz VXZTYENVYKQDIK-GHTZIAJQSA-N 0 1 386.517 3.376 20 0 GGADMN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180472533 1429877465 /nfs/dbraw/zinc/87/74/65/1429877465.db2.gz CDMKRKFOVBRUFY-GJZGRUSLSA-N 0 1 399.457 3.042 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000180502728 1429884083 /nfs/dbraw/zinc/88/40/83/1429884083.db2.gz GXYQQCBXAIAYSV-IBGZPJMESA-N 0 1 388.487 3.230 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2F)N2CCCC2)cc1 ZINC000180523664 1429889275 /nfs/dbraw/zinc/88/92/75/1429889275.db2.gz FIKGYJWDTFNOTP-IBGZPJMESA-N 0 1 383.467 3.334 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)N1CCc2ccccc21 ZINC000180526510 1429890321 /nfs/dbraw/zinc/89/03/21/1429890321.db2.gz STBCBSVWKBQULJ-JKSUJKDBSA-N 0 1 379.460 3.272 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2cccc(OCC(F)F)c2)c1 ZINC000180527561 1429890478 /nfs/dbraw/zinc/89/04/78/1429890478.db2.gz XFKMEORVQVNTCB-CYBMUJFWSA-N 0 1 384.448 3.089 20 0 GGADMN CC(C)(C)Sc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)ccn1 ZINC000180533792 1429892094 /nfs/dbraw/zinc/89/20/94/1429892094.db2.gz HZGAULDTQGTOHT-UHFFFAOYSA-N 0 1 377.554 3.157 20 0 GGADMN CC[C@@H](C)n1ncc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)c1C1CC1 ZINC000180535573 1429892448 /nfs/dbraw/zinc/89/24/48/1429892448.db2.gz ZEEIUNNYXCJDFM-GFCCVEGCSA-N 0 1 391.493 3.483 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1 ZINC000180535724 1429892482 /nfs/dbraw/zinc/89/24/82/1429892482.db2.gz FPPRAFVRKREYBE-UHFFFAOYSA-N 0 1 391.493 3.168 20 0 GGADMN CN(C)C(=O)CC1CCN(Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000180554242 1429896371 /nfs/dbraw/zinc/89/63/71/1429896371.db2.gz URGMAIOQAQXDOO-UHFFFAOYSA-N 0 1 382.480 3.499 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180560713 1429897793 /nfs/dbraw/zinc/89/77/93/1429897793.db2.gz NMHLOLAFFAKZEP-AWEZNQCLSA-N 0 1 387.377 3.273 20 0 GGADMN c1ccc2c(c1)OC[C@H](CC[NH2+][C@@H]1CCCc3cc(-c4nn[n-]n4)ccc31)O2 ZINC000826524176 1429902845 /nfs/dbraw/zinc/90/28/45/1429902845.db2.gz LPKUUHNSMDZCGD-FUHWJXTLSA-N 0 1 377.448 3.064 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000180577361 1429907402 /nfs/dbraw/zinc/90/74/02/1429907402.db2.gz AUPJTULZFOCPAX-RBUKOAKNSA-N 0 1 394.581 3.176 20 0 GGADMN CCN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825428743 1429913546 /nfs/dbraw/zinc/91/35/46/1429913546.db2.gz SNNLDYFOKNWOET-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN CCN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825428743 1429913549 /nfs/dbraw/zinc/91/35/49/1429913549.db2.gz SNNLDYFOKNWOET-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN CCN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825428743 1429913551 /nfs/dbraw/zinc/91/35/51/1429913551.db2.gz SNNLDYFOKNWOET-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1OC ZINC000180588539 1429915474 /nfs/dbraw/zinc/91/54/74/1429915474.db2.gz LKBFIQHOTZEOSK-KRWDZBQOSA-N 0 1 397.519 3.058 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1OC ZINC000180588563 1429916541 /nfs/dbraw/zinc/91/65/41/1429916541.db2.gz LKBFIQHOTZEOSK-QGZVFWFLSA-N 0 1 397.519 3.058 20 0 GGADMN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)CCO1 ZINC000180592666 1429917848 /nfs/dbraw/zinc/91/78/48/1429917848.db2.gz FSVMSSYTEYGXMB-FPOVZHCZSA-N 0 1 388.556 3.329 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cn1 ZINC000180592577 1429918297 /nfs/dbraw/zinc/91/82/97/1429918297.db2.gz BVGXAVQLFCUGEY-UHFFFAOYSA-N 0 1 397.523 3.118 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NC[C@@H]3CCC(C)(C)c4ccccc43)CCO2)n[nH]1 ZINC000180599991 1429924466 /nfs/dbraw/zinc/92/44/66/1429924466.db2.gz OPUSFMUSIOEBER-YJBOKZPZSA-N 0 1 383.496 3.051 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NC[C@H]3CCC(C)(C)c4ccccc43)CCO2)n[nH]1 ZINC000180600050 1429924780 /nfs/dbraw/zinc/92/47/80/1429924780.db2.gz OPUSFMUSIOEBER-CRAIPNDOSA-N 0 1 383.496 3.051 20 0 GGADMN CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000180602586 1429926210 /nfs/dbraw/zinc/92/62/10/1429926210.db2.gz GLOYLZSJGQXSGX-LEWJYISDSA-N 0 1 388.556 3.329 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820759135 1429927174 /nfs/dbraw/zinc/92/71/74/1429927174.db2.gz HPDLGIDPCNXNBZ-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820759135 1429927179 /nfs/dbraw/zinc/92/71/79/1429927179.db2.gz HPDLGIDPCNXNBZ-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820759135 1429927181 /nfs/dbraw/zinc/92/71/81/1429927181.db2.gz HPDLGIDPCNXNBZ-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604257 1429927437 /nfs/dbraw/zinc/92/74/37/1429927437.db2.gz DVIYQXTXPRLKLR-LBPRGKRZSA-N 0 1 397.372 3.407 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3c[nH]nc3-c3ccccc3F)CC2)n1 ZINC000180606291 1429929525 /nfs/dbraw/zinc/92/95/25/1429929525.db2.gz VTMMEROGCUJMFF-UHFFFAOYSA-N 0 1 396.470 3.117 20 0 GGADMN CC[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc2c(c1)OCCO2 ZINC000180622259 1429937733 /nfs/dbraw/zinc/93/77/33/1429937733.db2.gz YASZHZRJHDVDRQ-INIZCTEOSA-N 0 1 385.851 3.360 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cccc(Cl)c3[O-])C2=O)c1 ZINC000180627029 1429940033 /nfs/dbraw/zinc/94/00/33/1429940033.db2.gz BOGTZGMHMRWWEC-GOSISDBHSA-N 0 1 390.867 3.300 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180626068 1429940428 /nfs/dbraw/zinc/94/04/28/1429940428.db2.gz ZMJGSWDYMNJGNU-QUCCMNQESA-N 0 1 383.540 3.476 20 0 GGADMN COc1cccc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)C2)c1 ZINC000826216494 1429944372 /nfs/dbraw/zinc/94/43/72/1429944372.db2.gz 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CC[C@@H](NCC(=O)N[C@H](C)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000180641741 1429950135 /nfs/dbraw/zinc/95/01/35/1429950135.db2.gz YIOKCLGRNOUFIZ-CRAIPNDOSA-N 0 1 384.476 3.385 20 0 GGADMN Cc1c([C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cnn1C ZINC000180643438 1429950800 /nfs/dbraw/zinc/95/08/00/1429950800.db2.gz VXCUFMBVYVTMJD-SJCJKPOMSA-N 0 1 378.423 3.176 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3ccnn3C(C)(C)C)[nH]c2c1 ZINC000180643492 1429951217 /nfs/dbraw/zinc/95/12/17/1429951217.db2.gz LTACPIMGSWBOBP-MRXNPFEDSA-N 0 1 394.479 3.125 20 0 GGADMN Cc1cc(F)ccc1-n1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)n1 ZINC000180644893 1429951915 /nfs/dbraw/zinc/95/19/15/1429951915.db2.gz SMQHQMJFCJNMJO-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCC(C)(C)C[C@@H](C)O)CCN1Cc1ccccc1 ZINC000180646173 1429953037 /nfs/dbraw/zinc/95/30/37/1429953037.db2.gz RJOPDXXPAIPMPY-UYAOXDASSA-N 0 1 375.557 3.480 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H](CC)c2ccc3c(c2)OCCO3)c1 ZINC000180647916 1429953653 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GGADMN COc1ccc(C[C@@H](C)[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OC ZINC000826192037 1430077252 /nfs/dbraw/zinc/07/72/52/1430077252.db2.gz XSIFPZDHQKFXOL-CQSZACIVSA-N 0 1 379.464 3.094 20 0 GGADMN COc1ccc(NC(=O)NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000180880513 1430085863 /nfs/dbraw/zinc/08/58/63/1430085863.db2.gz AHXULKWXNBHHBD-UHFFFAOYSA-N 0 1 377.391 3.146 20 0 GGADMN CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cc1 ZINC000180885261 1430088518 /nfs/dbraw/zinc/08/85/18/1430088518.db2.gz CGJKCFJEYXBDRF-GOSISDBHSA-N 0 1 396.940 3.194 20 0 GGADMN C[C@H]1CC[C@H](NCc2ccccc2S(=O)(=O)N(C)CCO)c2ccccc21 ZINC000180886348 1430090031 /nfs/dbraw/zinc/09/00/31/1430090031.db2.gz ONOHZUXXVBSJSC-JXFKEZNVSA-N 0 1 388.533 3.028 20 0 GGADMN CCc1cc(N2CCC[C@H](N[C@H](c3cnn(C)c3)c3cccc(F)c3)C2)ncn1 ZINC000180887693 1430090688 /nfs/dbraw/zinc/09/06/88/1430090688.db2.gz UZUIOYNCRUPLKH-UNMCSNQZSA-N 0 1 394.498 3.260 20 0 GGADMN COC(=O)C1(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)CCCCC1 ZINC000180892303 1430093084 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3.083 20 0 GGADMN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nnc2ccccc2c1O ZINC000180903979 1430100151 /nfs/dbraw/zinc/10/01/51/1430100151.db2.gz JXTLZXWHQXZZEX-UHFFFAOYSA-N 0 1 399.332 3.380 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C2CCC2)c1-c1nnn[n-]1 ZINC000822016343 1430104994 /nfs/dbraw/zinc/10/49/94/1430104994.db2.gz XXDJAAMKHYMZAC-UHFFFAOYSA-N 0 1 385.516 3.213 20 0 GGADMN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180910545 1430106142 /nfs/dbraw/zinc/10/61/42/1430106142.db2.gz LMTWILHVVGGFNN-OXQOHEQNSA-N 0 1 383.492 3.103 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000821651980 1430107113 /nfs/dbraw/zinc/10/71/13/1430107113.db2.gz KDWQCRJPYQEPHZ-PXNSSMCTSA-N 0 1 391.475 3.036 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000821651980 1430107119 /nfs/dbraw/zinc/10/71/19/1430107119.db2.gz KDWQCRJPYQEPHZ-PXNSSMCTSA-N 0 1 391.475 3.036 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000180914349 1430109959 /nfs/dbraw/zinc/10/99/59/1430109959.db2.gz JXSWQXWCCJXOMT-UZLBHIALSA-N 0 1 396.487 3.308 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(OC)cc3OC)C2=O)cc1 ZINC000180915108 1430110868 /nfs/dbraw/zinc/11/08/68/1430110868.db2.gz KPMHFBDJMPJLKI-MGPUTAFESA-N 0 1 384.476 3.164 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC000736829249 1430112796 /nfs/dbraw/zinc/11/27/96/1430112796.db2.gz YRVYVQSAFQSZQX-UHFFFAOYSA-N 0 1 391.479 3.279 20 0 GGADMN C[N@H+](Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000736829249 1430112800 /nfs/dbraw/zinc/11/28/00/1430112800.db2.gz YRVYVQSAFQSZQX-UHFFFAOYSA-N 0 1 391.479 3.279 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC000736829249 1430112803 /nfs/dbraw/zinc/11/28/03/1430112803.db2.gz YRVYVQSAFQSZQX-UHFFFAOYSA-N 0 1 391.479 3.279 20 0 GGADMN Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000819688156 1430113289 /nfs/dbraw/zinc/11/32/89/1430113289.db2.gz DUXKBYZLZGUVGL-QGZVFWFLSA-N 0 1 384.281 3.276 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(OC)ccc3OC)C2=O)cc1 ZINC000180919874 1430115481 /nfs/dbraw/zinc/11/54/81/1430115481.db2.gz IAUPCBFCPDZXDQ-YWZLYKJASA-N 0 1 384.476 3.164 20 0 GGADMN COCc1cc([C@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)ccc1OC ZINC000180920516 1430115648 /nfs/dbraw/zinc/11/56/48/1430115648.db2.gz AYOQKTVBQDLGTF-HRAATJIYSA-N 0 1 398.503 3.302 20 0 GGADMN CNC(=O)C1CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000180925584 1430118409 /nfs/dbraw/zinc/11/84/09/1430118409.db2.gz KJLIDUVRLVJCFH-UHFFFAOYSA-N 0 1 379.460 3.461 20 0 GGADMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000180924725 1430118484 /nfs/dbraw/zinc/11/84/84/1430118484.db2.gz CSXBTYLRLSWJCR-MRXNPFEDSA-N 0 1 386.455 3.385 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2sc3cccc(F)c3c2COC)n[nH]1 ZINC000180929384 1430120461 /nfs/dbraw/zinc/12/04/61/1430120461.db2.gz KIBHYYVYVCVQGA-UHFFFAOYSA-N 0 1 377.397 3.339 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)n[nH]1 ZINC000180929645 1430120862 /nfs/dbraw/zinc/12/08/62/1430120862.db2.gz QKUMWNXYUXDBDB-UHFFFAOYSA-N 0 1 391.387 3.284 20 0 GGADMN O[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(Cl)c(F)c1 ZINC000826502690 1430121972 /nfs/dbraw/zinc/12/19/72/1430121972.db2.gz IVWWVYJQAXHPBJ-ROUUACIJSA-N 0 1 387.846 3.360 20 0 GGADMN COc1ccccc1SC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821903718 1430123132 /nfs/dbraw/zinc/12/31/32/1430123132.db2.gz LZGYKYSRCMRLED-GFCCVEGCSA-N 0 1 375.523 3.455 20 0 GGADMN C[C@@H](Cc1cccs1)NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180937446 1430124463 /nfs/dbraw/zinc/12/44/63/1430124463.db2.gz WHUQMCDRCQCIJU-KRWDZBQOSA-N 0 1 379.570 3.213 20 0 GGADMN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCCCN1Cc1ccccc1 ZINC000180936658 1430124583 /nfs/dbraw/zinc/12/45/83/1430124583.db2.gz GHBNZSGIBHNMTG-REWPJTCUSA-N 0 1 391.515 3.242 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc3sc(N(CC)CC)nc3s2)n[nH]1 ZINC000180938282 1430125292 /nfs/dbraw/zinc/12/52/92/1430125292.db2.gz DACAFWJFUISCLX-UHFFFAOYSA-N 0 1 393.494 3.356 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)n[nH]1 ZINC000180938619 1430125338 /nfs/dbraw/zinc/12/53/38/1430125338.db2.gz OSDMXXUOSCAXMF-UHFFFAOYSA-N 0 1 375.388 3.178 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420778 1430126623 /nfs/dbraw/zinc/12/66/23/1430126623.db2.gz WXEJOYGVAYHEPV-YOEHRIQHSA-N 0 1 386.500 3.307 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824546195 1430131701 /nfs/dbraw/zinc/13/17/01/1430131701.db2.gz HCUYZDZZGVRUOV-IAOVAPTHSA-N 0 1 386.500 3.211 20 0 GGADMN O=S(=O)(c1cnn(-c2ccccc2)c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180952414 1430131940 /nfs/dbraw/zinc/13/19/40/1430131940.db2.gz QMHDMKDNHWYOHU-LJQANCHMSA-N 0 1 394.500 3.046 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000180952581 1430132349 /nfs/dbraw/zinc/13/23/49/1430132349.db2.gz GNQMPYYEFANQGS-KNQAVFIVSA-N 0 1 379.504 3.271 20 0 GGADMN Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000737470352 1430135786 /nfs/dbraw/zinc/13/57/86/1430135786.db2.gz HXQGDVOGUQOHOK-JTQLQIEISA-N 0 1 391.526 3.023 20 0 GGADMN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180963379 1430138641 /nfs/dbraw/zinc/13/86/41/1430138641.db2.gz QEHZKAXFEWZWLZ-JTSKRJEESA-N 0 1 390.487 3.455 20 0 GGADMN COc1cc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1SC(F)F ZINC000180963611 1430139226 /nfs/dbraw/zinc/13/92/26/1430139226.db2.gz VVJOKPTYDXRMOY-BXUZGUMPSA-N 0 1 396.463 3.200 20 0 GGADMN COc1cc([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1SC(F)F ZINC000180963636 1430139389 /nfs/dbraw/zinc/13/93/89/1430139389.db2.gz VVJOKPTYDXRMOY-FZMZJTMJSA-N 0 1 396.463 3.200 20 0 GGADMN CCOc1ccc([C@H](CC)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000180963693 1430139416 /nfs/dbraw/zinc/13/94/16/1430139416.db2.gz TVVQOGLCXLJRAN-ZWKOTPCHSA-N 0 1 386.496 3.064 20 0 GGADMN CCOc1ccc([C@@H](CC)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000180963714 1430139487 /nfs/dbraw/zinc/13/94/87/1430139487.db2.gz TVVQOGLCXLJRAN-QZTJIDSGSA-N 0 1 386.496 3.064 20 0 GGADMN CCc1nc2ccccc2n1C1CCN([C@H](C)C(=O)NC(=O)NCC(C)C)CC1 ZINC000180968148 1430141304 /nfs/dbraw/zinc/14/13/04/1430141304.db2.gz HBCLBZHRJAVNBP-MRXNPFEDSA-N 0 1 399.539 3.106 20 0 GGADMN C[C@@H](CCO)N(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000180973846 1430145590 /nfs/dbraw/zinc/14/55/90/1430145590.db2.gz BBDFOVWOHPUZMP-IBGZPJMESA-N 0 1 381.520 3.498 20 0 GGADMN C[C@@H]1C[C@@H]1[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824898644 1430149703 /nfs/dbraw/zinc/14/97/03/1430149703.db2.gz GMZMDIZTDWKLTI-HBUMBIOYSA-N 0 1 396.882 3.033 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822083842 1430151804 /nfs/dbraw/zinc/15/18/04/1430151804.db2.gz DXPNNAGTNOLITB-NVXWUHKLSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083842 1430151805 /nfs/dbraw/zinc/15/18/05/1430151805.db2.gz DXPNNAGTNOLITB-NVXWUHKLSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083842 1430151809 /nfs/dbraw/zinc/15/18/09/1430151809.db2.gz DXPNNAGTNOLITB-NVXWUHKLSA-N 0 1 397.527 3.293 20 0 GGADMN COc1cc(NCCN[C@H](c2cnn(C)c2)c2cccc(F)c2)cc(OC)c1 ZINC000180993550 1430157198 /nfs/dbraw/zinc/15/71/98/1430157198.db2.gz IQIUZNZIBOBRKQ-NRFANRHFSA-N 0 1 384.455 3.368 20 0 GGADMN CCCCC[C@H]([NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccccc1 ZINC000736441339 1430159119 /nfs/dbraw/zinc/15/91/19/1430159119.db2.gz PSPOHBQZYYZONN-SFHVURJKSA-N 0 1 376.468 3.321 20 0 GGADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000181010142 1430165145 /nfs/dbraw/zinc/16/51/45/1430165145.db2.gz YDRKWJLDHUBJTK-IBGZPJMESA-N 0 1 390.531 3.427 20 0 GGADMN Cc1ccc(Cl)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826288995 1430167097 /nfs/dbraw/zinc/16/70/97/1430167097.db2.gz GGQXSOKMJYMCCC-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN FC(F)Oc1ccc2[nH+]cc(-c3nnn[n-]3)c(NCc3ccc(Cl)o3)c2c1 ZINC000737639176 1430182860 /nfs/dbraw/zinc/18/28/60/1430182860.db2.gz OSZKBRMFLURHFP-UHFFFAOYSA-N 0 1 392.753 3.297 20 0 GGADMN CC(C)(C)C(=O)N1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000181051523 1430186305 /nfs/dbraw/zinc/18/63/05/1430186305.db2.gz BULBOWDBSDNSND-UHFFFAOYSA-N 0 1 399.535 3.033 20 0 GGADMN C[C@H](NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C)C(=O)N1CCCCC1 ZINC000181058006 1430190244 /nfs/dbraw/zinc/19/02/44/1430190244.db2.gz AHIXTQSFPBZVIL-KXBFYZLASA-N 0 1 377.504 3.020 20 0 GGADMN C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824605166 1430193308 /nfs/dbraw/zinc/19/33/08/1430193308.db2.gz FVUXAJZMEFHDLQ-CQSZACIVSA-N 0 1 377.427 3.085 20 0 GGADMN C[N@@H+]1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023034 1430195427 /nfs/dbraw/zinc/19/54/27/1430195427.db2.gz WCIVJYDPPODVSZ-BLLLJJGKSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023034 1430195430 /nfs/dbraw/zinc/19/54/30/1430195430.db2.gz WCIVJYDPPODVSZ-BLLLJJGKSA-N 0 1 387.850 3.159 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 ZINC000181071225 1430196824 /nfs/dbraw/zinc/19/68/24/1430196824.db2.gz MLDTWXPAWVUVES-WOJBJXKFSA-N 0 1 385.483 3.106 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820666577 1430199170 /nfs/dbraw/zinc/19/91/70/1430199170.db2.gz IYHOFMYCTJLYDH-KUHUBIRLSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820666577 1430199172 /nfs/dbraw/zinc/19/91/72/1430199172.db2.gz IYHOFMYCTJLYDH-KUHUBIRLSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820666577 1430199175 /nfs/dbraw/zinc/19/91/75/1430199175.db2.gz IYHOFMYCTJLYDH-KUHUBIRLSA-N 0 1 394.454 3.418 20 0 GGADMN O=C(NC1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1)C1CC1 ZINC000181090385 1430206595 /nfs/dbraw/zinc/20/65/95/1430206595.db2.gz RXFPRZUHMRLFIV-UHFFFAOYSA-N 0 1 377.395 3.023 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H]1COC2(CCCCCC2)O1 ZINC000181098227 1430209394 /nfs/dbraw/zinc/20/93/94/1430209394.db2.gz ODHKSJQHWIWUTM-CQSZACIVSA-N 0 1 391.434 3.225 20 0 GGADMN O=C(CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCc2ccccc21 ZINC000181105627 1430211539 /nfs/dbraw/zinc/21/15/39/1430211539.db2.gz OLLRMSQJNUWTGV-UHFFFAOYSA-N 0 1 385.374 3.211 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@H]1c1cccn1C ZINC000181108277 1430213058 /nfs/dbraw/zinc/21/30/58/1430213058.db2.gz ZEJQJJVVAJSDMI-IBGZPJMESA-N 0 1 385.508 3.228 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C[C@H](C)O1 ZINC000181109299 1430213585 /nfs/dbraw/zinc/21/35/85/1430213585.db2.gz BCALDRYQNDQWQN-TXEJJXNPSA-N 0 1 381.427 3.121 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnc(Br)c(C)c2)cc1F ZINC000181177897 1430239111 /nfs/dbraw/zinc/23/91/11/1430239111.db2.gz NDQVDLMNGBSVNA-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN O=C(NCc1cccc2cccnc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000181114676 1430215348 /nfs/dbraw/zinc/21/53/48/1430215348.db2.gz OUZRYXSYLTXMAB-UHFFFAOYSA-N 0 1 396.535 3.269 20 0 GGADMN O=C(NCCN1C(=O)Cc2ccccc21)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181115851 1430215989 /nfs/dbraw/zinc/21/59/89/1430215989.db2.gz MQIQRURLRSYLRC-UHFFFAOYSA-N 0 1 385.374 3.211 20 0 GGADMN CN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181119824 1430217244 /nfs/dbraw/zinc/21/72/44/1430217244.db2.gz AGILHUKGMMBIRE-UHFFFAOYSA-N 0 1 387.390 3.281 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000181122896 1430218082 /nfs/dbraw/zinc/21/80/82/1430218082.db2.gz KULVWUGXNROGKE-NSHDSACASA-N 0 1 375.383 3.036 20 0 GGADMN O=C(NCCNC(=O)c1cccs1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181123927 1430218148 /nfs/dbraw/zinc/21/81/48/1430218148.db2.gz LFVROQSAYVFQRX-UHFFFAOYSA-N 0 1 379.392 3.114 20 0 GGADMN O=C([N-]S(=O)(=O)/C=C/c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000181133366 1430221268 /nfs/dbraw/zinc/22/12/68/1430221268.db2.gz GOZLXDKQHHIFOD-KETLNSEPSA-N 0 1 384.501 3.158 20 0 GGADMN O=C([N-]S(=O)(=O)/C=C/c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000181133366 1430221270 /nfs/dbraw/zinc/22/12/70/1430221270.db2.gz GOZLXDKQHHIFOD-KETLNSEPSA-N 0 1 384.501 3.158 20 0 GGADMN COCCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821686071 1430224808 /nfs/dbraw/zinc/22/48/08/1430224808.db2.gz ZTTAAGZAMRRHJV-UHFFFAOYSA-N 0 1 381.480 3.350 20 0 GGADMN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(N4CCOC4=O)cc3)C2=O)cc1 ZINC000181143744 1430225382 /nfs/dbraw/zinc/22/53/82/1430225382.db2.gz GFCQHXUQGIXAPE-OXJNMPFZSA-N 0 1 379.460 3.408 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(Cc4csc(CC(=O)N(C)C)n4)C3)[nH]c2c1 ZINC000181152190 1430228969 /nfs/dbraw/zinc/22/89/69/1430228969.db2.gz FZCPRAAXYLRFOZ-OAHLLOKOSA-N 0 1 397.548 3.338 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccnn2Cc2ccccn2)N2CCCC2)o1 ZINC000181155958 1430230375 /nfs/dbraw/zinc/23/03/75/1430230375.db2.gz RKYSYKNCPXNVKW-SFHVURJKSA-N 0 1 394.479 3.186 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 ZINC000181162472 1430233111 /nfs/dbraw/zinc/23/31/11/1430233111.db2.gz GTBILXQEDRBGIJ-UHFFFAOYSA-N 0 1 379.445 3.140 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736234796 1430233308 /nfs/dbraw/zinc/23/33/08/1430233308.db2.gz KRTRUDILLITIDM-DOTOQJQBSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736234796 1430233313 /nfs/dbraw/zinc/23/33/13/1430233313.db2.gz KRTRUDILLITIDM-DOTOQJQBSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736234796 1430233317 /nfs/dbraw/zinc/23/33/17/1430233317.db2.gz KRTRUDILLITIDM-DOTOQJQBSA-N 0 1 376.464 3.073 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000181166856 1430234761 /nfs/dbraw/zinc/23/47/61/1430234761.db2.gz ZJNQSUFXPGXZMO-XLIONFOSSA-N 0 1 396.539 3.494 20 0 GGADMN Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181167613 1430234813 /nfs/dbraw/zinc/23/48/13/1430234813.db2.gz ATCCRHXSPVWDHQ-KIUWMYQTSA-N 0 1 376.892 3.386 20 0 GGADMN COc1cc(C=CC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc(Cl)c1OC ZINC000181170708 1430235698 /nfs/dbraw/zinc/23/56/98/1430235698.db2.gz NPIZAROJJZZQQY-PSKZRQQASA-N 0 1 376.844 3.242 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000181172634 1430236520 /nfs/dbraw/zinc/23/65/20/1430236520.db2.gz MUDSOHGKWYQNTD-TWOQFEAHSA-N 0 1 379.460 3.488 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cnc1Br ZINC000181174670 1430237487 /nfs/dbraw/zinc/23/74/87/1430237487.db2.gz DAFUAXGZPIOINO-UHFFFAOYSA-N 0 1 395.234 3.060 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnc1Br ZINC000181176029 1430238522 /nfs/dbraw/zinc/23/85/22/1430238522.db2.gz TZJXDYXOUIRRJP-UHFFFAOYSA-N 0 1 386.227 3.170 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnc1Br ZINC000181177114 1430238559 /nfs/dbraw/zinc/23/85/59/1430238559.db2.gz GAFHZZHGRYPGOS-UHFFFAOYSA-N 0 1 386.227 3.170 20 0 GGADMN Cn1ccc(N2CCC[C@H](N[C@@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n1 ZINC000181176251 1430238722 /nfs/dbraw/zinc/23/87/22/1430238722.db2.gz AFPWZNWBJPJKCU-CVEARBPZSA-N 0 1 394.397 3.091 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cnc1Br ZINC000181176942 1430238735 /nfs/dbraw/zinc/23/87/35/1430238735.db2.gz XZRCSKODBXJUOW-UHFFFAOYSA-N 0 1 399.266 3.115 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(OCC(F)F)ccn1 ZINC000181180925 1430240204 /nfs/dbraw/zinc/24/02/04/1430240204.db2.gz LULMYMZWJNWSDY-HNNXBMFYSA-N 0 1 381.448 3.354 20 0 GGADMN CC[C@@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1OC(F)F ZINC000181185997 1430241696 /nfs/dbraw/zinc/24/16/96/1430241696.db2.gz YZCUMPGCSKKIED-HUUCEWRRSA-N 0 1 378.423 3.176 20 0 GGADMN CC[C@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1OC(F)F ZINC000181186013 1430241761 /nfs/dbraw/zinc/24/17/61/1430241761.db2.gz YZCUMPGCSKKIED-GJZGRUSLSA-N 0 1 378.423 3.176 20 0 GGADMN CC[C@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1OC(F)F ZINC000181185981 1430241996 /nfs/dbraw/zinc/24/19/96/1430241996.db2.gz YZCUMPGCSKKIED-LSDHHAIUSA-N 0 1 378.423 3.176 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n(C)n1 ZINC000181187739 1430242252 /nfs/dbraw/zinc/24/22/52/1430242252.db2.gz OTZWCZXEUJKCSL-HZPDHXFCSA-N 0 1 394.397 3.010 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000824109444 1430242818 /nfs/dbraw/zinc/24/28/18/1430242818.db2.gz QUKWNXBHWKOGPD-MSOLQXFVSA-N 0 1 398.511 3.137 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3sc(-c4cccnc4)nc3C)C2=O)n(C)n1 ZINC000181190864 1430243563 /nfs/dbraw/zinc/24/35/63/1430243563.db2.gz GGBKZKAHEHYJLY-CZUORRHYSA-N 0 1 396.520 3.012 20 0 GGADMN COCC[C@@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181192861 1430244548 /nfs/dbraw/zinc/24/45/48/1430244548.db2.gz PQLWMMAASIXYEN-BFUOFWGJSA-N 0 1 383.460 3.472 20 0 GGADMN C[C@H]1OCC[C@@H]1N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194426 1430244888 /nfs/dbraw/zinc/24/48/88/1430244888.db2.gz HSMXJPBYSQQYKK-HQOQDVMHSA-N 0 1 381.444 3.225 20 0 GGADMN CC[C@@H](COC)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181193622 1430245020 /nfs/dbraw/zinc/24/50/20/1430245020.db2.gz PPPUPVDPRLMSPE-KXBFYZLASA-N 0 1 383.460 3.472 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCCC[C@@H]3c3nnc[nH]3)C2)c1 ZINC000181195481 1430245447 /nfs/dbraw/zinc/24/54/47/1430245447.db2.gz JZLYCTZJVYRHFH-SJLPKXTDSA-N 0 1 396.495 3.111 20 0 GGADMN Cc1cc2ncc([C@H](C)NCc3ccccc3CN3CCCC3=O)c(C)n2n1 ZINC000181198456 1430245721 /nfs/dbraw/zinc/24/57/21/1430245721.db2.gz BCYSQIVMKXPEMJ-INIZCTEOSA-N 0 1 377.492 3.319 20 0 GGADMN Cc1cc2ncc([C@@H](C)NCc3cccc(CN4CCCC4=O)c3)c(C)n2n1 ZINC000181200358 1430246261 /nfs/dbraw/zinc/24/62/61/1430246261.db2.gz RFJNAZDLLWOBJQ-MRXNPFEDSA-N 0 1 377.492 3.319 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H]3CCCc4nc(C)sc43)C2=O)c1 ZINC000181209368 1430248390 /nfs/dbraw/zinc/24/83/90/1430248390.db2.gz RYGPJKUBNDLHIU-ZWKOTPCHSA-N 0 1 387.505 3.241 20 0 GGADMN Cc1ccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@H](C)CCO)cc1 ZINC000181214452 1430249646 /nfs/dbraw/zinc/24/96/46/1430249646.db2.gz KABQWWBDEXWSQJ-LJQANCHMSA-N 0 1 375.534 3.432 20 0 GGADMN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181227263 1430251893 /nfs/dbraw/zinc/25/18/93/1430251893.db2.gz JLQIYLLMINTJOM-SNVBAGLBSA-N 0 1 399.406 3.365 20 0 GGADMN COC1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000181233094 1430253260 /nfs/dbraw/zinc/25/32/60/1430253260.db2.gz QFVMXMBOTDRTNN-UHFFFAOYSA-N 0 1 379.932 3.420 20 0 GGADMN Cc1ccccc1[C@H](OC[C@@H](O)CN(C)C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000181242784 1430254991 /nfs/dbraw/zinc/25/49/91/1430254991.db2.gz GZXGBQPXTIZGPA-YSIASYRMSA-N 0 1 397.437 3.317 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CCN1C[C@@H](C)O ZINC000181248159 1430256229 /nfs/dbraw/zinc/25/62/29/1430256229.db2.gz JSTLTGLBENRIPU-IEBWSBKVSA-N 0 1 399.539 3.106 20 0 GGADMN Cc1ccc([C@H](OC[C@@H](O)CN(C)C[C@H](O)C(F)(F)F)c2ccccc2)cc1 ZINC000181254373 1430257359 /nfs/dbraw/zinc/25/73/59/1430257359.db2.gz VMRBPQAYYXRTEB-SLFFLAALSA-N 0 1 397.437 3.317 20 0 GGADMN C[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccc(N2CCOC2=O)cc1 ZINC000181267084 1430259137 /nfs/dbraw/zinc/25/91/37/1430259137.db2.gz PGSGWNZCQRMQKX-QGZVFWFLSA-N 0 1 393.487 3.489 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000181267676 1430259571 /nfs/dbraw/zinc/25/95/71/1430259571.db2.gz FSISDMXSFNAYKC-CHWSQXEVSA-N 0 1 388.855 3.369 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000181271256 1430260133 /nfs/dbraw/zinc/26/01/33/1430260133.db2.gz RKPRQOUADOARSE-LBPRGKRZSA-N 0 1 375.375 3.211 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272000 1430260428 /nfs/dbraw/zinc/26/04/28/1430260428.db2.gz SQFRKVCCDSWFJT-INIZCTEOSA-N 0 1 399.466 3.482 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272019 1430260450 /nfs/dbraw/zinc/26/04/50/1430260450.db2.gz SQFRKVCCDSWFJT-MRXNPFEDSA-N 0 1 399.466 3.482 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000181273951 1430260895 /nfs/dbraw/zinc/26/08/95/1430260895.db2.gz QZSFEMUGGKMPGC-LBPRGKRZSA-N 0 1 375.375 3.211 20 0 GGADMN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181281090 1430261994 /nfs/dbraw/zinc/26/19/94/1430261994.db2.gz RLUDDXWZOWRBEN-CVEARBPZSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181281129 1430262251 /nfs/dbraw/zinc/26/22/51/1430262251.db2.gz RLUDDXWZOWRBEN-HZPDHXFCSA-N 0 1 379.460 3.272 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cnn(Cc3ccccc3)c2)C1=O ZINC000181286399 1430263027 /nfs/dbraw/zinc/26/30/27/1430263027.db2.gz AMURBCYBVQHARH-YLJYHZDGSA-N 0 1 390.487 3.396 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000181286705 1430263050 /nfs/dbraw/zinc/26/30/50/1430263050.db2.gz HJWSJGNZEFMGGC-VQIMIIECSA-N 0 1 393.487 3.278 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181286572 1430263085 /nfs/dbraw/zinc/26/30/85/1430263085.db2.gz WJKWYHQDTOBJOP-ZDUSSCGKSA-N 0 1 386.452 3.218 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2cccc(N3CCCC3=O)c2)C1=O ZINC000181288362 1430263844 /nfs/dbraw/zinc/26/38/44/1430263844.db2.gz JCAJLEZIBUMNFX-LPHOPBHVSA-N 0 1 393.487 3.278 20 0 GGADMN COCc1cc([C@@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)ccc1OC ZINC000181289302 1430263862 /nfs/dbraw/zinc/26/38/62/1430263862.db2.gz RXFKQEWCVKLXOJ-QAPCUYQASA-N 0 1 384.476 3.306 20 0 GGADMN COCc1cc([C@@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)ccc1OC ZINC000181289266 1430263900 /nfs/dbraw/zinc/26/39/00/1430263900.db2.gz RXFKQEWCVKLXOJ-CRAIPNDOSA-N 0 1 384.476 3.306 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)n(C(C)(C)C)n1 ZINC000181291286 1430264168 /nfs/dbraw/zinc/26/41/68/1430264168.db2.gz WKTLHNNUSDSCFM-HNNXBMFYSA-N 0 1 399.495 3.192 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)s1 ZINC000181290259 1430264222 /nfs/dbraw/zinc/26/42/22/1430264222.db2.gz CXFVCMUKILJLDO-ZFWWWQNUSA-N 0 1 389.521 3.105 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccnc1Cl ZINC000181292262 1430264663 /nfs/dbraw/zinc/26/46/63/1430264663.db2.gz KRDAVDHCNKNSMV-STQMWFEESA-N 0 1 388.855 3.369 20 0 GGADMN Cc1nc([C@@H](NC(=O)Cc2[nH]nc3ccccc32)c2ccc(Cl)cc2)no1 ZINC000181291317 1430264887 /nfs/dbraw/zinc/26/48/87/1430264887.db2.gz HHHADJNNRIORGB-SFHVURJKSA-N 0 1 381.823 3.356 20 0 GGADMN Cc1nc([C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)c2ccc(Cl)cc2)no1 ZINC000181292830 1430265017 /nfs/dbraw/zinc/26/50/17/1430265017.db2.gz LFQWXTLSZRTNSF-MRXNPFEDSA-N 0 1 394.822 3.336 20 0 GGADMN Cc1nc([C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)c2ccc(Cl)cc2)no1 ZINC000181292846 1430265291 /nfs/dbraw/zinc/26/52/91/1430265291.db2.gz LFQWXTLSZRTNSF-INIZCTEOSA-N 0 1 394.822 3.336 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)sc1C ZINC000181300477 1430267429 /nfs/dbraw/zinc/26/74/29/1430267429.db2.gz ZGYYPTGHALHVBS-OLZOCXBDSA-N 0 1 388.493 3.394 20 0 GGADMN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181303438 1430267577 /nfs/dbraw/zinc/26/75/77/1430267577.db2.gz LOQNASCMJCCFSM-UHFFFAOYSA-N 0 1 378.766 3.409 20 0 GGADMN C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(N2CCOC2=O)c1 ZINC000181304572 1430268210 /nfs/dbraw/zinc/26/82/10/1430268210.db2.gz FNEOPMOELSUASY-CYBMUJFWSA-N 0 1 398.850 3.155 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181305346 1430268474 /nfs/dbraw/zinc/26/84/74/1430268474.db2.gz OAYLBGNOGMUTJU-KRWDZBQOSA-N 0 1 375.513 3.434 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181305316 1430268625 /nfs/dbraw/zinc/26/86/25/1430268625.db2.gz UPHDDFVWCUDVNT-MRXNPFEDSA-N 0 1 399.466 3.482 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181307206 1430268986 /nfs/dbraw/zinc/26/89/86/1430268986.db2.gz AFIOSKYVNGYXCB-DLBZAZTESA-N 0 1 381.476 3.307 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181307142 1430269206 /nfs/dbraw/zinc/26/92/06/1430269206.db2.gz GHQWZOWORVNVJX-ROUUACIJSA-N 0 1 395.503 3.350 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccccc1F ZINC000181308619 1430269527 /nfs/dbraw/zinc/26/95/27/1430269527.db2.gz QSYNHGHYDISALN-LSDHHAIUSA-N 0 1 385.439 3.138 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccc(F)cc1 ZINC000181311714 1430269898 /nfs/dbraw/zinc/26/98/98/1430269898.db2.gz AMKUBXYQCYDFHY-LSDHHAIUSA-N 0 1 385.439 3.138 20 0 GGADMN COC(=O)c1c2c(sc1NC(=O)CN[C@H](C)c1cccnc1)C[C@@H](C)CC2 ZINC000181310987 1430270078 /nfs/dbraw/zinc/27/00/78/1430270078.db2.gz OAIKKLORDILGSM-QWHCGFSZSA-N 0 1 387.505 3.344 20 0 GGADMN COC(=O)c1c2c(sc1NC(=O)CN[C@H](C)c1cccnc1)C[C@H](C)CC2 ZINC000181310970 1430270093 /nfs/dbraw/zinc/27/00/93/1430270093.db2.gz OAIKKLORDILGSM-CHWSQXEVSA-N 0 1 387.505 3.344 20 0 GGADMN C[C@@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000181314853 1430270717 /nfs/dbraw/zinc/27/07/17/1430270717.db2.gz MQKDRPGRQAANRZ-JKSUJKDBSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000181314800 1430270782 /nfs/dbraw/zinc/27/07/82/1430270782.db2.gz MQKDRPGRQAANRZ-CVEARBPZSA-N 0 1 379.460 3.272 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181315748 1430271240 /nfs/dbraw/zinc/27/12/40/1430271240.db2.gz ZZFSVDPVLLSEAM-GJZGRUSLSA-N 0 1 385.468 3.098 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC000181318720 1430271758 /nfs/dbraw/zinc/27/17/58/1430271758.db2.gz CKRIBQLQSWVNAG-ACJLOTCBSA-N 0 1 378.469 3.298 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc(N2CCOC2=O)c1 ZINC000181321477 1430272519 /nfs/dbraw/zinc/27/25/19/1430272519.db2.gz FKPNYOIPOXVIAX-ZDUSSCGKSA-N 0 1 386.452 3.218 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCCc1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181326269 1430273476 /nfs/dbraw/zinc/27/34/76/1430273476.db2.gz WJEASKKBFWYJPM-CVEARBPZSA-N 0 1 399.466 3.180 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccnc1Cl ZINC000181329714 1430274353 /nfs/dbraw/zinc/27/43/53/1430274353.db2.gz FJMMMZCKGNJSKN-STQMWFEESA-N 0 1 388.855 3.369 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181333005 1430275035 /nfs/dbraw/zinc/27/50/35/1430275035.db2.gz KSWHCLGAGQOPBF-IRXDYDNUSA-N 0 1 381.476 3.307 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(Br)nc2C)CCN1CCOC ZINC000181335388 1430275959 /nfs/dbraw/zinc/27/59/59/1430275959.db2.gz SKECHAFVECWSQV-CQSZACIVSA-N 0 1 399.333 3.117 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(OC(C)(C)C)nc2)c1 ZINC000181341977 1430277591 /nfs/dbraw/zinc/27/75/91/1430277591.db2.gz YTXXBKMGBOMDIB-AWEZNQCLSA-N 0 1 377.510 3.018 20 0 GGADMN O=C([C@H]1OCCc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181342483 1430277694 /nfs/dbraw/zinc/27/76/94/1430277694.db2.gz QBLIMSCMNRJKFN-ICSRJNTNSA-N 0 1 388.471 3.492 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000181374808 1430284176 /nfs/dbraw/zinc/28/41/76/1430284176.db2.gz WWKHYWNSCLWOKX-HZMBPMFUSA-N 0 1 393.322 3.380 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000181369330 1430282888 /nfs/dbraw/zinc/28/28/88/1430282888.db2.gz CYXJMGYNGFBAHA-SECBINFHSA-N 0 1 387.427 3.347 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(Br)s1 ZINC000181372651 1430283730 /nfs/dbraw/zinc/28/37/30/1430283730.db2.gz RNHYFUSATFGZTG-UWVGGRQHSA-N 0 1 381.361 3.303 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(Br)s1 ZINC000181372667 1430283759 /nfs/dbraw/zinc/28/37/59/1430283759.db2.gz RNHYFUSATFGZTG-ZJUUUORDSA-N 0 1 381.361 3.303 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)s1 ZINC000181373070 1430283894 /nfs/dbraw/zinc/28/38/94/1430283894.db2.gz QITZVMSLCAJXHN-LPHOPBHVSA-N 0 1 389.565 3.365 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000181373394 1430283994 /nfs/dbraw/zinc/28/39/94/1430283994.db2.gz JVMBPUHLBIATPP-CABCVRRESA-N 0 1 392.443 3.304 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(Br)cc1 ZINC000181374054 1430284156 /nfs/dbraw/zinc/28/41/56/1430284156.db2.gz OQPUCIZCXGPMGA-RISCZKNCSA-N 0 1 375.332 3.241 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](NCC(=O)NC1CCOCC1)c1ccccc1 ZINC000181382592 1430285778 /nfs/dbraw/zinc/28/57/78/1430285778.db2.gz POTGLCJOCDUSIY-OAQYLSRUSA-N 0 1 382.504 3.308 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)o1 ZINC000181385197 1430286255 /nfs/dbraw/zinc/28/62/55/1430286255.db2.gz PVBGRCAJFNLQIV-OAHLLOKOSA-N 0 1 385.464 3.173 20 0 GGADMN CC[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000181385553 1430286337 /nfs/dbraw/zinc/28/63/37/1430286337.db2.gz IXBTUKSNOHJTIG-KRWDZBQOSA-N 0 1 379.453 3.112 20 0 GGADMN CC(C)[C@H](NC(=O)CN[C@H](C)c1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000181386611 1430286785 /nfs/dbraw/zinc/28/67/85/1430286785.db2.gz DELVCUNQWWJFTN-ZHRRBRCNSA-N 0 1 383.492 3.407 20 0 GGADMN CC(C)[C@@H](NC(=O)CN[C@H](C)c1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000181386633 1430286828 /nfs/dbraw/zinc/28/68/28/1430286828.db2.gz DELVCUNQWWJFTN-OPAMFIHVSA-N 0 1 383.492 3.407 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)C[C@H](C)O1 ZINC000181389811 1430287022 /nfs/dbraw/zinc/28/70/22/1430287022.db2.gz IXVGPYDVGJBMFQ-BETUJISGSA-N 0 1 389.418 3.090 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)C[C@H](C)O1 ZINC000181389831 1430287306 /nfs/dbraw/zinc/28/73/06/1430287306.db2.gz IXVGPYDVGJBMFQ-STQMWFEESA-N 0 1 389.418 3.090 20 0 GGADMN O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000181392444 1430287732 /nfs/dbraw/zinc/28/77/32/1430287732.db2.gz HLXJCLRWSKWBFS-QGZVFWFLSA-N 0 1 392.908 3.200 20 0 GGADMN O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000181392444 1430287735 /nfs/dbraw/zinc/28/77/35/1430287735.db2.gz HLXJCLRWSKWBFS-QGZVFWFLSA-N 0 1 392.908 3.200 20 0 GGADMN C[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181395928 1430288561 /nfs/dbraw/zinc/28/85/61/1430288561.db2.gz SEVCAWKNQYLQRF-OAHLLOKOSA-N 0 1 385.895 3.434 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181396527 1430288573 /nfs/dbraw/zinc/28/85/73/1430288573.db2.gz GQOVBKNGDCIQHI-NRFANRHFSA-N 0 1 397.494 3.217 20 0 GGADMN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000181400888 1430289114 /nfs/dbraw/zinc/28/91/14/1430289114.db2.gz IVGAIINSVAAWOU-OAHLLOKOSA-N 0 1 385.895 3.434 20 0 GGADMN Cc1c([C@H](C)NCC(=O)NCCc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000181402760 1430289547 /nfs/dbraw/zinc/28/95/47/1430289547.db2.gz ULCAEFIZPHOQBR-INIZCTEOSA-N 0 1 380.467 3.329 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181407453 1430290420 /nfs/dbraw/zinc/29/04/20/1430290420.db2.gz SMSMNACAIHLCKT-QGZVFWFLSA-N 0 1 395.503 3.131 20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181408699 1430290819 /nfs/dbraw/zinc/29/08/19/1430290819.db2.gz BNGXHQZFWISYAD-IRXDYDNUSA-N 0 1 395.503 3.178 20 0 GGADMN COc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181408751 1430290827 /nfs/dbraw/zinc/29/08/27/1430290827.db2.gz BNGXHQZFWISYAD-IAGOWNOFSA-N 0 1 395.503 3.178 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181409208 1430290839 /nfs/dbraw/zinc/29/08/39/1430290839.db2.gz DSPSWIRAMNLUKZ-ROUUACIJSA-N 0 1 379.504 3.477 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCc1ccccc1F ZINC000181410948 1430291178 /nfs/dbraw/zinc/29/11/78/1430291178.db2.gz IJKARZMNJAOCNV-HZPDHXFCSA-N 0 1 383.467 3.308 20 0 GGADMN Cc1ccc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1F ZINC000181412782 1430291583 /nfs/dbraw/zinc/29/15/83/1430291583.db2.gz PVHRDJVHJPPHPM-UHFFFAOYSA-N 0 1 376.338 3.203 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181412673 1430291789 /nfs/dbraw/zinc/29/17/89/1430291789.db2.gz BOFNALLTBJSXOB-CVEARBPZSA-N 0 1 381.476 3.500 20 0 GGADMN CC(C)CN1CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000181419119 1430293798 /nfs/dbraw/zinc/29/37/98/1430293798.db2.gz NWTLLWIHKQVIHI-LJQANCHMSA-N 0 1 397.485 3.470 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181423553 1430294999 /nfs/dbraw/zinc/29/49/99/1430294999.db2.gz JTMMPDGYJQZKFJ-HOTGVXAUSA-N 0 1 383.496 3.269 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181426375 1430295919 /nfs/dbraw/zinc/29/59/19/1430295919.db2.gz OZTZANGJWXMARA-OAHLLOKOSA-N 0 1 394.475 3.061 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccccc1F)c1cccc(N2CCCC2=O)c1 ZINC000181428696 1430296780 /nfs/dbraw/zinc/29/67/80/1430296780.db2.gz FUCGYOODOGJIDC-INIZCTEOSA-N 0 1 383.467 3.262 20 0 GGADMN Cc1cccc(C(=O)N2CCCN(CCC(=O)OCc3ccccc3)CC2)c1 ZINC000181431237 1430297441 /nfs/dbraw/zinc/29/74/41/1430297441.db2.gz BYNRMBHDELNWRT-UHFFFAOYSA-N 0 1 380.488 3.276 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181437191 1430298375 /nfs/dbraw/zinc/29/83/75/1430298375.db2.gz LUKPFKDBLZQDGS-KRWDZBQOSA-N 0 1 395.503 3.131 20 0 GGADMN Cc1ccccc1CCNC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181436584 1430298508 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GGADMN CCSc1ccc([C@@H](C)NCC(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000182136775 1430418375 /nfs/dbraw/zinc/41/83/75/1430418375.db2.gz RWUASHUQNRYTQZ-OAHLLOKOSA-N 0 1 378.538 3.251 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCC[C@H]2O)N2CCCC2)cc1 ZINC000182142253 1430418933 /nfs/dbraw/zinc/41/89/33/1430418933.db2.gz MRWWFQDQGSWTBZ-SESVDKBCSA-N 0 1 389.540 3.025 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(CC(=O)N(C)C)CC1)c1cccc2ccccc21 ZINC000182186939 1430426639 /nfs/dbraw/zinc/42/66/39/1430426639.db2.gz FSCYIXSPFAOCBJ-QGZVFWFLSA-N 0 1 381.520 3.207 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCN(CCc3ccccc3)CC2)c1 ZINC000182191249 1430427374 /nfs/dbraw/zinc/42/73/74/1430427374.db2.gz KPTAZDZSWQHPNK-FQEVSTJZSA-N 0 1 388.939 3.248 20 0 GGADMN Cc1cccc(NC(=O)CN2CCN(CCCOCc3ccccc3)CC2)c1C ZINC000182197267 1430428416 /nfs/dbraw/zinc/42/84/16/1430428416.db2.gz XYEIMDGFNANACH-UHFFFAOYSA-N 0 1 395.547 3.466 20 0 GGADMN CC(=O)Nc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000182202728 1430429415 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CN(C[C@H]1CCCC[C@H]1O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000182253077 1430437778 /nfs/dbraw/zinc/43/77/78/1430437778.db2.gz JDICAKCQTDUGIR-YLJYHZDGSA-N 0 1 393.959 3.497 20 0 GGADMN CN(CCN1CCN(CCC(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000182257988 1430438197 /nfs/dbraw/zinc/43/81/97/1430438197.db2.gz OYYPASKUHIQYLX-UHFFFAOYSA-N 0 1 383.511 3.148 20 0 GGADMN COC(=O)COc1ccc(N(C)C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000182265448 1430439716 /nfs/dbraw/zinc/43/97/16/1430439716.db2.gz NJIMUVSPESVPIJ-UHFFFAOYSA-N 0 1 379.416 3.214 20 0 GGADMN CCOC(=O)[C@@H](CC(C)C)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000182292195 1430443546 /nfs/dbraw/zinc/44/35/46/1430443546.db2.gz QOMZYETVTATBIK-GOSISDBHSA-N 0 1 380.554 3.097 20 0 GGADMN CCOC(=O)[C@H](CC(C)C)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000182292303 1430443678 /nfs/dbraw/zinc/44/36/78/1430443678.db2.gz QOMZYETVTATBIK-SFHVURJKSA-N 0 1 380.554 3.097 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](C)c1nnc[nH]1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182299756 1430444847 /nfs/dbraw/zinc/44/48/47/1430444847.db2.gz JWJREQDHBGYIRP-KGLIPLIRSA-N 0 1 378.436 3.178 20 0 GGADMN CC[C@H](NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)[C@@H]1CCCO1 ZINC000182304148 1430445388 /nfs/dbraw/zinc/44/53/88/1430445388.db2.gz ACNXSFWHIXEUIN-STQMWFEESA-N 0 1 383.395 3.394 20 0 GGADMN CC[C@H](NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)[C@H]1CCCO1 ZINC000182304183 1430445437 /nfs/dbraw/zinc/44/54/37/1430445437.db2.gz ACNXSFWHIXEUIN-QWHCGFSZSA-N 0 1 383.395 3.394 20 0 GGADMN O=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000182314192 1430447139 /nfs/dbraw/zinc/44/71/39/1430447139.db2.gz CYVBKHBWXZWNSG-UHFFFAOYSA-N 0 1 399.350 3.479 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)c2ccccc12 ZINC000182316200 1430447380 /nfs/dbraw/zinc/44/73/80/1430447380.db2.gz AOCIRVXFKTVQAD-UHFFFAOYSA-N 0 1 380.429 3.475 20 0 GGADMN CCOC(=O)c1sc2[n-]c([C@H](C)[NH2+][C@H](CC)[C@H]3CCCO3)nc(=O)c2c1C ZINC000182317558 1430447618 /nfs/dbraw/zinc/44/76/18/1430447618.db2.gz PNEYTKHQNUWQRN-YNEHKIRRSA-N 0 1 393.509 3.078 20 0 GGADMN CCOC(=O)c1sc2[n-]c([C@H](C)[NH2+][C@H](CC)[C@@H]3CCCO3)nc(=O)c2c1C ZINC000182317516 1430447782 /nfs/dbraw/zinc/44/77/82/1430447782.db2.gz PNEYTKHQNUWQRN-XQQFMLRXSA-N 0 1 393.509 3.078 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000182324061 1430448462 /nfs/dbraw/zinc/44/84/62/1430448462.db2.gz CIKYHHFDEAAQNO-WMLDXEAASA-N 0 1 398.507 3.284 20 0 GGADMN COc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1OC1CCCC1 ZINC000182335314 1430450198 /nfs/dbraw/zinc/45/01/98/1430450198.db2.gz XISFGOKEQKTVAT-UHFFFAOYSA-N 0 1 379.420 3.449 20 0 GGADMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000182339906 1430450849 /nfs/dbraw/zinc/45/08/49/1430450849.db2.gz WLIFZOOULPVMSI-ZDUSSCGKSA-N 0 1 382.432 3.281 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](NC[C@H]2COC3(CCOCC3)O2)c2ccccc2)cc1 ZINC000182341605 1430451154 /nfs/dbraw/zinc/45/11/54/1430451154.db2.gz WGFYYIDTFBYLHT-SFTDATJTSA-N 0 1 396.487 3.187 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000182347403 1430452010 /nfs/dbraw/zinc/45/20/10/1430452010.db2.gz XDQISDMCLSIMLK-INIZCTEOSA-N 0 1 385.533 3.465 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1nnc[nH]1 ZINC000182351380 1430452401 /nfs/dbraw/zinc/45/24/01/1430452401.db2.gz OUIRRZXWVCNNTP-WMLDXEAASA-N 0 1 396.520 3.026 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12)C(=O)OC(C)(C)C ZINC000182371414 1430454692 /nfs/dbraw/zinc/45/46/92/1430454692.db2.gz LLPMKGSLASPNFX-HNNXBMFYSA-N 0 1 388.464 3.330 20 0 GGADMN CN(C[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12)C(=O)OC(C)(C)C ZINC000182371414 1430454695 /nfs/dbraw/zinc/45/46/95/1430454695.db2.gz LLPMKGSLASPNFX-HNNXBMFYSA-N 0 1 388.464 3.330 20 0 GGADMN CC[C@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000182378559 1430455565 /nfs/dbraw/zinc/45/55/65/1430455565.db2.gz RWMWYMWJFZISRI-GXTWGEPZSA-N 0 1 389.809 3.382 20 0 GGADMN CC[C@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000182378517 1430455651 /nfs/dbraw/zinc/45/56/51/1430455651.db2.gz RWMWYMWJFZISRI-JSGCOSHPSA-N 0 1 389.809 3.382 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000182386217 1430457165 /nfs/dbraw/zinc/45/71/65/1430457165.db2.gz XBJJZTCNGGHTLA-JOCHJYFZSA-N 0 1 397.519 3.337 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000182391859 1430458387 /nfs/dbraw/zinc/45/83/87/1430458387.db2.gz PBGYQFSTCPDZTE-IBGZPJMESA-N 0 1 394.874 3.159 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000182395577 1430459205 /nfs/dbraw/zinc/45/92/05/1430459205.db2.gz OHAOJPQWJVZZGV-MRXNPFEDSA-N 0 1 389.584 3.353 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000182395452 1430459218 /nfs/dbraw/zinc/45/92/18/1430459218.db2.gz QPQAEGAVUUHYKL-OAHLLOKOSA-N 0 1 389.452 3.096 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000182396799 1430459596 /nfs/dbraw/zinc/45/95/96/1430459596.db2.gz UKTNJOHTFZILCI-LIRRHRJNSA-N 0 1 376.884 3.239 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000182399548 1430460165 /nfs/dbraw/zinc/46/01/65/1430460165.db2.gz UHVBCJZPMTYLHA-VBKZILBWSA-N 0 1 392.446 3.206 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](CCO)c1ccc(OC)cc1 ZINC000182406454 1430461686 /nfs/dbraw/zinc/46/16/86/1430461686.db2.gz GKCOJGSJHMOXBC-OALUTQOASA-N 0 1 388.533 3.306 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000182409327 1430462337 /nfs/dbraw/zinc/46/23/37/1430462337.db2.gz PIHQNXXFRGCFFL-QGZVFWFLSA-N 0 1 392.883 3.317 20 0 GGADMN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000182412186 1430463068 /nfs/dbraw/zinc/46/30/68/1430463068.db2.gz XFVYNVRVHRDZEJ-MSOLQXFVSA-N 0 1 378.469 3.458 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000182411767 1430463167 /nfs/dbraw/zinc/46/31/67/1430463167.db2.gz SXNUIIOOVSFOJU-KRWDZBQOSA-N 0 1 382.382 3.366 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1cccs1 ZINC000182417666 1430464395 /nfs/dbraw/zinc/46/43/95/1430464395.db2.gz VJOOYSLMVHWKKL-HZPDHXFCSA-N 0 1 381.542 3.116 20 0 GGADMN C[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1nnc[nH]1 ZINC000182431369 1430466790 /nfs/dbraw/zinc/46/67/90/1430466790.db2.gz LUJUOKRMGCWYIP-CHWSQXEVSA-N 0 1 396.426 3.318 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000182447482 1430469056 /nfs/dbraw/zinc/46/90/56/1430469056.db2.gz RUIKODHWBNEFPE-NSHDSACASA-N 0 1 385.411 3.444 20 0 GGADMN O=C(Nc1nc2ccccn2n1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000182451622 1430469759 /nfs/dbraw/zinc/46/97/59/1430469759.db2.gz USWAOOWKYUATFQ-GOSISDBHSA-N 0 1 389.381 3.122 20 0 GGADMN COCCOCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182453384 1430470463 /nfs/dbraw/zinc/47/04/63/1430470463.db2.gz CSXCUHCZHSLYPE-UHFFFAOYSA-N 0 1 383.444 3.164 20 0 GGADMN COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182453384 1430470466 /nfs/dbraw/zinc/47/04/66/1430470466.db2.gz CSXCUHCZHSLYPE-UHFFFAOYSA-N 0 1 383.444 3.164 20 0 GGADMN COc1ccccc1CCCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000182482337 1430475041 /nfs/dbraw/zinc/47/50/41/1430475041.db2.gz AJBAEJBQIVGDFN-JOCHJYFZSA-N 0 1 393.531 3.051 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCN1Cc1ccccc1 ZINC000182485329 1430475481 /nfs/dbraw/zinc/47/54/81/1430475481.db2.gz XLVQADAJUPVCRL-IBGZPJMESA-N 0 1 393.487 3.144 20 0 GGADMN CC1CCC(N2CCN(Cc3nnc(C(=O)Nc4ccccc4)s3)CC2)CC1 ZINC000182487540 1430475671 /nfs/dbraw/zinc/47/56/71/1430475671.db2.gz XEVWHGVSGNYPGK-UHFFFAOYSA-N 0 1 399.564 3.487 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000182486497 1430475767 /nfs/dbraw/zinc/47/57/67/1430475767.db2.gz PYGZZJZGQQMBEJ-ZDUSSCGKSA-N 0 1 383.473 3.301 20 0 GGADMN COc1ccc(Oc2cc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)ccn2)cc1 ZINC000182493429 1430477038 /nfs/dbraw/zinc/47/70/38/1430477038.db2.gz JQEJLAZYOURTTI-RBUKOAKNSA-N 0 1 390.505 3.328 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3CN(C(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000182493702 1430477125 /nfs/dbraw/zinc/47/71/25/1430477125.db2.gz UMKUUUIZXTXKPH-KRWDZBQOSA-N 0 1 384.480 3.402 20 0 GGADMN COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000182497539 1430477798 /nfs/dbraw/zinc/47/77/98/1430477798.db2.gz XVDZGAAJKFGXDR-OAHLLOKOSA-N 0 1 385.489 3.448 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccccc1-n1ccnn1 ZINC000182497797 1430478298 /nfs/dbraw/zinc/47/82/98/1430478298.db2.gz KIVYYTKDNQTGRA-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CCc1cc(=O)c2cc(NS(=O)(=O)c3cnc(Cl)c(C)c3)ccc2[nH]1 ZINC000182499585 1430478651 /nfs/dbraw/zinc/47/86/51/1430478651.db2.gz RJHLQNXATQTUOQ-UHFFFAOYSA-N 0 1 377.853 3.248 20 0 GGADMN COCCC[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000182505577 1430479676 /nfs/dbraw/zinc/47/96/76/1430479676.db2.gz CVKCUTOVCLLCES-AWEZNQCLSA-N 0 1 387.446 3.458 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)CS(C)(=O)=O)ccc1OCc1ccccc1 ZINC000182510006 1430480684 /nfs/dbraw/zinc/48/06/84/1430480684.db2.gz NBZRLUWJWFDXJX-CVEARBPZSA-N 0 1 377.506 3.358 20 0 GGADMN CCOc1ccc(Oc2cc(CN[C@H](C)CS(=O)(=O)CC)ccn2)cc1 ZINC000182514860 1430481782 /nfs/dbraw/zinc/48/17/82/1430481782.db2.gz HTWPHNNWEHLMPN-OAHLLOKOSA-N 0 1 378.494 3.185 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182518027 1430482038 /nfs/dbraw/zinc/48/20/38/1430482038.db2.gz KCQFVYNGERVPSS-UHFFFAOYSA-N 0 1 395.528 3.220 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccccc1-n1ccnn1 ZINC000182518080 1430482206 /nfs/dbraw/zinc/48/22/06/1430482206.db2.gz IWDKZGMTDJOJIO-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCOC(C)C)CC1 ZINC000182517966 1430482213 /nfs/dbraw/zinc/48/22/13/1430482213.db2.gz OGRJXOCMJPYCAT-KRWDZBQOSA-N 0 1 379.520 3.350 20 0 GGADMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000182519251 1430482661 /nfs/dbraw/zinc/48/26/61/1430482661.db2.gz RAXAKQLRIOJAJC-LBPRGKRZSA-N 0 1 393.365 3.221 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCCc2ccc(OC(C)C)cc2)c1 ZINC000182524273 1430482899 /nfs/dbraw/zinc/48/28/99/1430482899.db2.gz LHUPFXPOAFCDPH-KRWDZBQOSA-N 0 1 397.519 3.442 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCCOc2cccc(Cl)c2)c1 ZINC000182528828 1430483839 /nfs/dbraw/zinc/48/38/39/1430483839.db2.gz RVTHRCDHVRVABX-AWEZNQCLSA-N 0 1 389.883 3.144 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000182529363 1430484142 /nfs/dbraw/zinc/48/41/42/1430484142.db2.gz HDGFPQIERBWZAR-TWOQFEAHSA-N 0 1 375.513 3.007 20 0 GGADMN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182531333 1430484482 /nfs/dbraw/zinc/48/44/82/1430484482.db2.gz MGVGMWZPLLQGGF-UHFFFAOYSA-N 0 1 387.452 3.453 20 0 GGADMN COc1ccc2c(c1)CCCN2C(=O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182535302 1430485305 /nfs/dbraw/zinc/48/53/05/1430485305.db2.gz NBPRVQBZPLDNFO-HNNXBMFYSA-N 0 1 381.476 3.284 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000182536196 1430485867 /nfs/dbraw/zinc/48/58/67/1430485867.db2.gz CBRVYSHCVDPAQJ-CYBMUJFWSA-N 0 1 391.418 3.213 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000182537564 1430486124 /nfs/dbraw/zinc/48/61/24/1430486124.db2.gz VCNYBLVGFMMRLV-MRXNPFEDSA-N 0 1 383.492 3.149 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NC(=O)Nc2cccc(C)c2C)c1 ZINC000182538383 1430486279 /nfs/dbraw/zinc/48/62/79/1430486279.db2.gz LOTBSSVFURJPDD-HNNXBMFYSA-N 0 1 382.464 3.261 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)NC(C)C)c1 ZINC000182538677 1430486426 /nfs/dbraw/zinc/48/64/26/1430486426.db2.gz AFWRMUMXOHTBDF-HNNXBMFYSA-N 0 1 396.491 3.073 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000182546925 1430488056 /nfs/dbraw/zinc/48/80/56/1430488056.db2.gz LYODZULQNHEIJZ-OAQYLSRUSA-N 0 1 395.482 3.422 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000182555899 1430490732 /nfs/dbraw/zinc/49/07/32/1430490732.db2.gz VXSSNRGILLWAJA-HNNXBMFYSA-N 0 1 382.464 3.261 20 0 GGADMN CCN(CC)C(=O)CCC1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000182559272 1430492197 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O=C(COc1cccc2cccnc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000182577047 1430496329 /nfs/dbraw/zinc/49/63/29/1430496329.db2.gz JYHHVYIYTJZHHW-UHFFFAOYSA-N 0 1 397.519 3.013 20 0 GGADMN COC(=O)Nc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1F ZINC000182585900 1430497488 /nfs/dbraw/zinc/49/74/88/1430497488.db2.gz RMEPUMHDDWECBK-UHFFFAOYSA-N 0 1 386.427 3.184 20 0 GGADMN OCc1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000182586185 1430497934 /nfs/dbraw/zinc/49/79/34/1430497934.db2.gz GVBXJNQKAFUDBN-UHFFFAOYSA-N 0 1 398.532 3.041 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(Cl)c1 ZINC000182588046 1430498150 /nfs/dbraw/zinc/49/81/50/1430498150.db2.gz PTKHJELAMHMPIO-QGZVFWFLSA-N 0 1 385.851 3.245 20 0 GGADMN CC(C)(C)OCC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000182593091 1430498957 /nfs/dbraw/zinc/49/89/57/1430498957.db2.gz KLYYAJWCJQKIFH-UHFFFAOYSA-N 0 1 382.508 3.157 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N1CCCCC1 ZINC000182595929 1430499373 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NOZZOIBCHIXXCN-XHDPSFHLSA-N 0 1 393.850 3.232 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000182639895 1430507873 /nfs/dbraw/zinc/50/78/73/1430507873.db2.gz XRUOTZACHLWJCF-SJORKVTESA-N 0 1 378.476 3.216 20 0 GGADMN C[C@H](NCC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1cc2ccccc2o1 ZINC000182642743 1430508207 /nfs/dbraw/zinc/50/82/07/1430508207.db2.gz HMRAKTWRCCASHL-HNNXBMFYSA-N 0 1 391.471 3.292 20 0 GGADMN CN(CCCc1cccc(F)c1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000182642387 1430508305 /nfs/dbraw/zinc/50/83/05/1430508305.db2.gz ODSNIMPDSSAVFA-UHFFFAOYSA-N 0 1 385.483 3.165 20 0 GGADMN COc1cc(CNC(C)(C)C(=O)NCC2CCCC2)ccc1OC(=O)C1CC1 ZINC000182660343 1430512220 /nfs/dbraw/zinc/51/22/20/1430512220.db2.gz QOCXQDATVQTGGQ-UHFFFAOYSA-N 0 1 388.508 3.185 20 0 GGADMN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(C2CCCC2)CC1 ZINC000182661974 1430512620 /nfs/dbraw/zinc/51/26/20/1430512620.db2.gz QQPQHNIIBFSAEQ-UHFFFAOYSA-N 0 1 382.258 3.058 20 0 GGADMN Cc1cc(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)n(-c2nc(C)cc(C)n2)n1 ZINC000182666428 1430513537 /nfs/dbraw/zinc/51/35/37/1430513537.db2.gz HSTNQEACZKKMNY-ROUUACIJSA-N 0 1 382.512 3.181 20 0 GGADMN COC(=O)COc1c(C)cc(CNc2cnccc2-n2cc(C)cn2)cc1C ZINC000182667687 1430513548 /nfs/dbraw/zinc/51/35/48/1430513548.db2.gz BSZAAQTVDXAKEZ-UHFFFAOYSA-N 0 1 380.448 3.356 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)CCCOC)CC1 ZINC000182674347 1430514821 /nfs/dbraw/zinc/51/48/21/1430514821.db2.gz AZWMHEBMAGPPEL-IAGOWNOFSA-N 0 1 379.520 3.208 20 0 GGADMN COc1ccc([C@H](Cc2ccccc2C)N[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000182676164 1430515186 /nfs/dbraw/zinc/51/51/86/1430515186.db2.gz XKIUNFNPRZQHNO-LPHOPBHVSA-N 0 1 391.533 3.319 20 0 GGADMN COc1ccc([C@@H](Cc2ccccc2C)N[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000182676184 1430515212 /nfs/dbraw/zinc/51/52/12/1430515212.db2.gz XKIUNFNPRZQHNO-QFBILLFUSA-N 0 1 391.533 3.319 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@@H](C)C[C@@H](O)c1ccco1 ZINC000182677641 1430515385 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CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cn3)cc2C[C@H]1C ZINC000182748127 1430532358 /nfs/dbraw/zinc/53/23/58/1430532358.db2.gz QSOAWHQQZVZGAP-SNVBAGLBSA-N 0 1 399.394 3.199 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)s1 ZINC000182747656 1430532538 /nfs/dbraw/zinc/53/25/38/1430532538.db2.gz XJBUKRWYGWWBCG-SNVBAGLBSA-N 0 1 377.535 3.303 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)s1 ZINC000182750509 1430533463 /nfs/dbraw/zinc/53/34/63/1430533463.db2.gz QIUIBWVZTKLOOD-OAHLLOKOSA-N 0 1 385.533 3.459 20 0 GGADMN CC1(C)c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cn3)ccc2NC1=O ZINC000182754660 1430534242 /nfs/dbraw/zinc/53/42/42/1430534242.db2.gz YJEVUXLIOUTUFI-UHFFFAOYSA-N 0 1 385.367 3.131 20 0 GGADMN COCCC[C@H](C)C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000182755890 1430534531 /nfs/dbraw/zinc/53/45/31/1430534531.db2.gz CKOLJGNAQHNTIS-INIZCTEOSA-N 0 1 391.556 3.193 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)c(C)s1 ZINC000182762853 1430535823 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3.017 20 0 GGADMN CC(C)c1ccc([C@H](CN[C@H](C)CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1 ZINC000182811084 1430544536 /nfs/dbraw/zinc/54/45/36/1430544536.db2.gz JVWQLROQRRTBNW-QAPCUYQASA-N 0 1 398.569 3.399 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(C)o1 ZINC000182811248 1430544568 /nfs/dbraw/zinc/54/45/68/1430544568.db2.gz FFDWDVXBSJVHLL-UHFFFAOYSA-N 0 1 393.856 3.204 20 0 GGADMN O=S1(=O)CCC[C@H](N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000182819353 1430546723 /nfs/dbraw/zinc/54/67/23/1430546723.db2.gz CELJRNJYXRPNSH-HKUYNNGSSA-N 0 1 387.480 3.084 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)Nc3ccccc3CN3CCC(O)CC3)c21 ZINC000182848431 1430553209 /nfs/dbraw/zinc/55/32/09/1430553209.db2.gz QIIOPOJJUHRXSB-UHFFFAOYSA-N 0 1 393.487 3.314 20 0 GGADMN CC[C@@H](C)[C@@H](NCC(=O)N1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000182867750 1430557587 /nfs/dbraw/zinc/55/75/87/1430557587.db2.gz UAWRDPOISZCYIY-AUSIDOKSSA-N 0 1 399.579 3.094 20 0 GGADMN CC(C)Cn1ncnc1CN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000182874472 1430558892 /nfs/dbraw/zinc/55/88/92/1430558892.db2.gz GHFTYDQRCIRHCO-OXJNMPFZSA-N 0 1 379.549 3.497 20 0 GGADMN CC(C)OCCCCNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000182896315 1430565131 /nfs/dbraw/zinc/56/51/31/1430565131.db2.gz CQSODAUJXRDEDW-KRWDZBQOSA-N 0 1 389.540 3.307 20 0 GGADMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@H](C)c3nnc[nH]3)s2)cc1 ZINC000182895370 1430565364 /nfs/dbraw/zinc/56/53/64/1430565364.db2.gz QGRBKPVISKJIJB-VXGBXAGGSA-N 0 1 386.481 3.367 20 0 GGADMN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC000182897418 1430565758 /nfs/dbraw/zinc/56/57/58/1430565758.db2.gz HJIVJHBDDCDITI-CYBMUJFWSA-N 0 1 395.438 3.403 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c21 ZINC000182897021 1430565870 /nfs/dbraw/zinc/56/58/70/1430565870.db2.gz UVRLOHKOVSXRSH-AWEZNQCLSA-N 0 1 379.464 3.121 20 0 GGADMN Cc1cc(C)cc([C@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000182909747 1430569039 /nfs/dbraw/zinc/56/90/39/1430569039.db2.gz OWRWSIILCJDMBO-DLBZAZTESA-N 0 1 385.483 3.087 20 0 GGADMN Fc1ccc(-c2nc(CN3CCN(CCCn4ccnc4)CC3)cs2)cc1 ZINC000182920864 1430571675 /nfs/dbraw/zinc/57/16/75/1430571675.db2.gz PYDFCKPDAHXAMD-UHFFFAOYSA-N 0 1 385.512 3.354 20 0 GGADMN COCc1nnc(-c2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)o1 ZINC000182921463 1430571751 /nfs/dbraw/zinc/57/17/51/1430571751.db2.gz SPRJKZBNLLMQGZ-KRWDZBQOSA-N 0 1 396.447 3.043 20 0 GGADMN O=C(CN[C@@H](CO)c1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000182921105 1430571809 /nfs/dbraw/zinc/57/18/09/1430571809.db2.gz UADRRMOVQBTVDQ-SFHVURJKSA-N 0 1 382.460 3.380 20 0 GGADMN COCc1nnc(-c2cccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c2)o1 ZINC000182921479 1430571881 /nfs/dbraw/zinc/57/18/81/1430571881.db2.gz SPRJKZBNLLMQGZ-QGZVFWFLSA-N 0 1 396.447 3.043 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN[C@@H](CO)c2ccccc2)n(-c2ccccc2)n1 ZINC000182924022 1430572736 /nfs/dbraw/zinc/57/27/36/1430572736.db2.gz SXHBPCVSYMYYPU-IBGZPJMESA-N 0 1 392.503 3.432 20 0 GGADMN CCN(CC(=O)NCc1cccs1)C(=O)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000182929455 1430574177 /nfs/dbraw/zinc/57/41/77/1430574177.db2.gz WXUCAQDDVQCRSH-KRWDZBQOSA-N 0 1 387.549 3.180 20 0 GGADMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)Cc1ccsc1 ZINC000182960691 1430581104 /nfs/dbraw/zinc/58/11/04/1430581104.db2.gz OEKSMRMIXCHBOY-KRWDZBQOSA-N 0 1 387.549 3.476 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cl)N1CCC(CCCN2CCOCC2)CC1 ZINC000182961961 1430581190 /nfs/dbraw/zinc/58/11/90/1430581190.db2.gz ZMHYBBCJRAJOKL-QGZVFWFLSA-N 0 1 393.959 3.491 20 0 GGADMN COc1cccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1OC1CCCC1 ZINC000182963577 1430581536 /nfs/dbraw/zinc/58/15/36/1430581536.db2.gz LDFISALFEIOULU-MJGOQNOKSA-N 0 1 381.538 3.462 20 0 GGADMN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000182968399 1430582623 /nfs/dbraw/zinc/58/26/23/1430582623.db2.gz HVMSMZYEZXWCJK-UHFFFAOYSA-N 0 1 393.466 3.324 20 0 GGADMN c1ccc(CCc2noc(CN3CCC(CCCN4CCOCC4)CC3)n2)cc1 ZINC000182978442 1430584310 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GGADMN Cc1c([C@@H](C)NCC(=O)NCCOc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182997702 1430588613 /nfs/dbraw/zinc/58/86/13/1430588613.db2.gz ZKHKUWKNORCCHQ-MRXNPFEDSA-N 0 1 396.466 3.166 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)NC(=O)Nc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182999813 1430589114 /nfs/dbraw/zinc/58/91/14/1430589114.db2.gz ICDGKBCFIMOZLE-CQSZACIVSA-N 0 1 395.438 3.319 20 0 GGADMN Cc1c([C@H](C)NCC(=O)NC(=O)Nc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000182999831 1430589186 /nfs/dbraw/zinc/58/91/86/1430589186.db2.gz ICDGKBCFIMOZLE-AWEZNQCLSA-N 0 1 395.438 3.319 20 0 GGADMN COCCOc1ccc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183005710 1430590568 /nfs/dbraw/zinc/59/05/68/1430590568.db2.gz AICXLOYXHSJPEH-HTAPYJJXSA-N 0 1 397.519 3.335 20 0 GGADMN Cc1c([C@H](C)NCC(=O)NCc2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000183005800 1430590872 /nfs/dbraw/zinc/59/08/72/1430590872.db2.gz YZBVTTHVKUSWLH-AWEZNQCLSA-N 0 1 384.430 3.426 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(C)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183011312 1430592099 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GGADMN COCc1noc([C@@H](C)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)n1 ZINC000183033818 1430597478 /nfs/dbraw/zinc/59/74/78/1430597478.db2.gz YWAZLJITUCOAQY-OAHLLOKOSA-N 0 1 387.484 3.204 20 0 GGADMN COc1cc(-c2ccccc2)ccc1CN[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000183063005 1430603116 /nfs/dbraw/zinc/60/31/16/1430603116.db2.gz BAZYJAOGZOAVEF-HXUWFJFHSA-N 0 1 390.487 3.381 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)C(F)(F)F ZINC000183069669 1430605212 /nfs/dbraw/zinc/60/52/12/1430605212.db2.gz BGZSUFPUFUNMCK-HNNXBMFYSA-N 0 1 386.462 3.077 20 0 GGADMN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC000183075225 1430606917 /nfs/dbraw/zinc/60/69/17/1430606917.db2.gz KNVXMAOTLWJPSU-DOTOQJQBSA-N 0 1 385.468 3.430 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccn(CCOC)n2)CCN1Cc1ccccc1 ZINC000183081681 1430608590 /nfs/dbraw/zinc/60/85/90/1430608590.db2.gz OHOZIQVBWWIXDS-IBGZPJMESA-N 0 1 385.512 3.048 20 0 GGADMN Cn1ccnc1COc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000183102726 1430613521 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GGADMN Cc1ccc(-c2noc([C@H](C)N3CCN(CCCn4ccnc4)CC3)n2)cc1 ZINC000183161451 1430633810 /nfs/dbraw/zinc/63/38/10/1430633810.db2.gz KSUIXXIRQJJRLC-SFHVURJKSA-N 0 1 380.496 3.010 20 0 GGADMN O=C1[C@H](N2CCC(n3ccc(C(F)(F)F)n3)CC2)CCN1c1ccccc1 ZINC000183170071 1430637901 /nfs/dbraw/zinc/63/79/01/1430637901.db2.gz QECZNLSTZNHMMO-MRXNPFEDSA-N 0 1 378.398 3.344 20 0 GGADMN C[C@H](O)[C@H]1CCN(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000183192842 1430644280 /nfs/dbraw/zinc/64/42/80/1430644280.db2.gz GZUIZCWOQKNJAH-CUWPLCDZSA-N 0 1 391.515 3.119 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)N(C)C)c1 ZINC000183194179 1430644366 /nfs/dbraw/zinc/64/43/66/1430644366.db2.gz KILJIURAGDBYEL-OALUTQOASA-N 0 1 385.512 3.185 20 0 GGADMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204065 1430647555 /nfs/dbraw/zinc/64/75/55/1430647555.db2.gz KRKUDMMQOZSNJU-QGZVFWFLSA-N 0 1 380.414 3.368 20 0 GGADMN CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCO1 ZINC000183226825 1430653117 /nfs/dbraw/zinc/65/31/17/1430653117.db2.gz IFFHEEHKPZNMTM-FCHUYYIVSA-N 0 1 387.568 3.148 20 0 GGADMN CO[C@@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000183235676 1430655963 /nfs/dbraw/zinc/65/59/63/1430655963.db2.gz PQDHKULUBQDFGT-JBYIUTFZSA-N 0 1 382.504 3.300 20 0 GGADMN C[C@@H](CCc1cccc(F)c1)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000183255305 1430661192 /nfs/dbraw/zinc/66/11/92/1430661192.db2.gz QKDJCSZBUYOVHV-SFHVURJKSA-N 0 1 375.532 3.213 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183258943 1430661929 /nfs/dbraw/zinc/66/19/29/1430661929.db2.gz YFSPDTMYKXUXKB-IAGOWNOFSA-N 0 1 382.570 3.155 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)Cc3cn4ccsc4n3)CCN2C2CC2)c1 ZINC000183263455 1430663426 /nfs/dbraw/zinc/66/34/26/1430663426.db2.gz GWFZNUBGKGEGRU-ICSRJNTNSA-N 0 1 396.516 3.041 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)Cc3cn4ccsc4n3)CCN2C2CC2)c1 ZINC000183263420 1430663914 /nfs/dbraw/zinc/66/39/14/1430663914.db2.gz GWFZNUBGKGEGRU-QUCCMNQESA-N 0 1 396.516 3.041 20 0 GGADMN CCCCN(CCCO)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000183265266 1430664094 /nfs/dbraw/zinc/66/40/94/1430664094.db2.gz YJZULTBAEJUQCB-UHFFFAOYSA-N 0 1 381.948 3.499 20 0 GGADMN COc1cc(CN2CCOCC3(CCOCC3)C2)ccc1OCc1ccncc1 ZINC000183271231 1430666270 /nfs/dbraw/zinc/66/62/70/1430666270.db2.gz YYUDWPMOMHAYDQ-UHFFFAOYSA-N 0 1 398.503 3.298 20 0 GGADMN Cc1c(C#N)cccc1NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000183274369 1430667135 /nfs/dbraw/zinc/66/71/35/1430667135.db2.gz OCZVNKWHFSBNDV-UHFFFAOYSA-N 0 1 379.239 3.157 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN[C@@H](c2oc3ccccc3c2C)C(C)C)CC1 ZINC000183277275 1430668205 /nfs/dbraw/zinc/66/82/05/1430668205.db2.gz BQNKMSCQUXLKCO-OAQYLSRUSA-N 0 1 385.508 3.155 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000183282238 1430669333 /nfs/dbraw/zinc/66/93/33/1430669333.db2.gz LEVMZHPSOHIKDK-UHFFFAOYSA-N 0 1 394.218 3.331 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000183297688 1430672515 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GGADMN O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000183350833 1430685248 /nfs/dbraw/zinc/68/52/48/1430685248.db2.gz SDSZXKKTVUBCQI-UHFFFAOYSA-N 0 1 382.357 3.297 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1cccc(CN2CCCC2=O)c1 ZINC000183351263 1430685426 /nfs/dbraw/zinc/68/54/26/1430685426.db2.gz PHVNOFIEPSFKEV-QGZVFWFLSA-N 0 1 396.487 3.212 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1cccc(N2CCCC2=O)c1 ZINC000183353429 1430686011 /nfs/dbraw/zinc/68/60/11/1430686011.db2.gz LDXBIGXUOYKZRH-MRXNPFEDSA-N 0 1 382.460 3.216 20 0 GGADMN O=C(CN[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl)N1CCOCC1 ZINC000183355171 1430686797 /nfs/dbraw/zinc/68/67/97/1430686797.db2.gz IMSXZIYORKFTCI-IBGZPJMESA-N 0 1 376.859 3.211 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C ZINC000183361407 1430689384 /nfs/dbraw/zinc/68/93/84/1430689384.db2.gz JYBWVCPXRLDPBM-NWDGAFQWSA-N 0 1 384.402 3.155 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C ZINC000183361440 1430689431 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CCc1ccc([C@H](CN2CCOCC2)NCc2cccc(OC)c2OC)cc1 ZINC000183375925 1430693863 /nfs/dbraw/zinc/69/38/63/1430693863.db2.gz PGDYCDGRWARVJP-NRFANRHFSA-N 0 1 384.520 3.429 20 0 GGADMN CCc1ccc([C@@H](CN2CCOCC2)NCc2cccc(OC)c2OC)cc1 ZINC000183375902 1430694097 /nfs/dbraw/zinc/69/40/97/1430694097.db2.gz PGDYCDGRWARVJP-OAQYLSRUSA-N 0 1 384.520 3.429 20 0 GGADMN COc1cc(/C=C(/C(=O)N2CCN(C(C)C)CC2)c2ccccc2)ccc1O ZINC000183375162 1430694109 /nfs/dbraw/zinc/69/41/09/1430694109.db2.gz GZZXXVRKZCHLDI-HMMYKYKNSA-N 0 1 380.488 3.494 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cnn1C ZINC000183389360 1430698251 /nfs/dbraw/zinc/69/82/51/1430698251.db2.gz HWUURJNPJYKVQK-OAHLLOKOSA-N 0 1 391.475 3.270 20 0 GGADMN COc1ccc([C@H](CNCc2ncc(C(C)C)s2)N2CCOCC2)cc1 ZINC000183390592 1430698737 /nfs/dbraw/zinc/69/87/37/1430698737.db2.gz JKGOINJCWOYYPK-SFHVURJKSA-N 0 1 375.538 3.438 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC000183390956 1430699199 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GGADMN CCCCc1nnc(NC(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)s1 ZINC000183596369 1430750038 /nfs/dbraw/zinc/75/00/38/1430750038.db2.gz XKFYSUNEOKAFOR-CQSZACIVSA-N 0 1 384.509 3.356 20 0 GGADMN COc1cc(F)ccc1NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000183604110 1430752838 /nfs/dbraw/zinc/75/28/38/1430752838.db2.gz AUYYLPDDDYNUKH-UHFFFAOYSA-N 0 1 388.218 3.125 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cccc(Br)n2)N(C)C)c1 ZINC000183607725 1430753134 /nfs/dbraw/zinc/75/31/34/1430753134.db2.gz IPIJCLKNIUYOGD-AWEZNQCLSA-N 0 1 393.285 3.277 20 0 GGADMN CC[N@H+](C)[C@H](C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)c1ccccc1 ZINC000183622499 1430756581 /nfs/dbraw/zinc/75/65/81/1430756581.db2.gz IVTHNSMCTOZMMI-INIZCTEOSA-N 0 1 380.897 3.146 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)c1ccccc1 ZINC000183622499 1430756583 /nfs/dbraw/zinc/75/65/83/1430756583.db2.gz IVTHNSMCTOZMMI-INIZCTEOSA-N 0 1 380.897 3.146 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCc3c(cccc3OC)C2)N(C)C)c1 ZINC000183629960 1430758530 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COC(=O)COc1ccccc1[C@@H](C)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000183823913 1430801343 /nfs/dbraw/zinc/80/13/43/1430801343.db2.gz STWZAORMBHXRQG-XLIONFOSSA-N 0 1 396.487 3.080 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000183823878 1430801382 /nfs/dbraw/zinc/80/13/82/1430801382.db2.gz STWZAORMBHXRQG-YLJYHZDGSA-N 0 1 396.487 3.080 20 0 GGADMN CC1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)OCCO1 ZINC000183824510 1430801448 /nfs/dbraw/zinc/80/14/48/1430801448.db2.gz DFKSFCZBADIUEJ-CYBMUJFWSA-N 0 1 384.270 3.153 20 0 GGADMN CC1([C@@H]2CCCN(Cc3cc4c(cc3Br)OCO4)C2)OCCO1 ZINC000183824510 1430801449 /nfs/dbraw/zinc/80/14/49/1430801449.db2.gz DFKSFCZBADIUEJ-CYBMUJFWSA-N 0 1 384.270 3.153 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183826004 1430801756 /nfs/dbraw/zinc/80/17/56/1430801756.db2.gz BKAGWCVKZTYSSC-KBPBESRZSA-N 0 1 397.313 3.251 20 0 GGADMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccnc1OCC(F)F ZINC000183826631 1430802013 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Cc1cc(C(=O)CN2CCC[C@@H](C3(C)OCCO3)C2)c(C)n1-c1nccs1 ZINC000183855341 1430805396 /nfs/dbraw/zinc/80/53/96/1430805396.db2.gz XBKMGJXAODKGEI-MRXNPFEDSA-N 0 1 389.521 3.208 20 0 GGADMN Cc1sc2nc([C@@H](C)N3CCC[C@H](C4(C)OCCO4)C3)nc(N)c2c1C ZINC000183863809 1430806320 /nfs/dbraw/zinc/80/63/20/1430806320.db2.gz XTKLSWJEAMLTKO-OCCSQVGLSA-N 0 1 376.526 3.426 20 0 GGADMN CC1([C@H]2CCCN([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C2)OCCO1 ZINC000183871745 1430807336 /nfs/dbraw/zinc/80/73/36/1430807336.db2.gz QRIXXFJVYPVGLH-SUMWQHHRSA-N 0 1 382.863 3.059 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)NCC3(Cc4ccccc4)CCCC3)C2)CC1 ZINC000183879342 1430808033 /nfs/dbraw/zinc/80/80/33/1430808033.db2.gz NQBGKEMKDSWDSC-QFIPXVFZSA-N 0 1 398.595 3.211 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183879812 1430808103 /nfs/dbraw/zinc/80/81/03/1430808103.db2.gz IABYIKFNFRGCNW-PBHICJAKSA-N 0 1 380.533 3.259 20 0 GGADMN CC1([C@@H]2CCCN(CC(=O)N(Cc3ccco3)Cc3ccccc3)C2)OCCO1 ZINC000183887714 1430809103 /nfs/dbraw/zinc/80/91/03/1430809103.db2.gz QPYSPMXCYDXUSK-HXUWFJFHSA-N 0 1 398.503 3.283 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(C(=O)NC)cc2)CCN1Cc1ccccc1 ZINC000183886551 1430809179 /nfs/dbraw/zinc/80/91/79/1430809179.db2.gz NWGQVYJLFDZICX-FQEVSTJZSA-N 0 1 380.492 3.175 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000183888633 1430809385 /nfs/dbraw/zinc/80/93/85/1430809385.db2.gz PGPHFDOETBHMTI-RYUDHWBXSA-N 0 1 399.421 3.047 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc2n[nH]nc2c1)c1cccc(C(F)(F)F)c1 ZINC000183893215 1430809548 /nfs/dbraw/zinc/80/95/48/1430809548.db2.gz ZQGDFGGVGFLBMZ-MRXNPFEDSA-N 0 1 377.370 3.009 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)c1cccc(C(F)(F)F)c1 ZINC000183893557 1430809835 /nfs/dbraw/zinc/80/98/35/1430809835.db2.gz OJNYUWULSKHKMP-INIZCTEOSA-N 0 1 391.397 3.020 20 0 GGADMN C[C@H]1CCN(C(=O)CN2CCC[C@H](C3(C)OCCO3)C2)c2ccccc2S1 ZINC000183897952 1430810442 /nfs/dbraw/zinc/81/04/42/1430810442.db2.gz AXAWERXJWMTSHT-IRXDYDNUSA-N 0 1 390.549 3.379 20 0 GGADMN Cc1n[nH]cc1CCCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000183899903 1430810680 /nfs/dbraw/zinc/81/06/80/1430810680.db2.gz ZABGHLBKOCBPME-QGZVFWFLSA-N 0 1 397.445 3.272 20 0 GGADMN COc1cc(-c2nc(CN3CCC[C@@H](C4(C)OCCO4)C3)cs2)ccc1O ZINC000183901940 1430810932 /nfs/dbraw/zinc/81/09/32/1430810932.db2.gz FDNKJYWIUIHFIM-OAHLLOKOSA-N 0 1 390.505 3.499 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183909241 1430811859 /nfs/dbraw/zinc/81/18/59/1430811859.db2.gz BXQUNDDFHUKUNH-CQSZACIVSA-N 0 1 397.313 3.171 20 0 GGADMN CC1([C@H]2CCCN(CC(=O)Nc3ccc(SC(F)F)cc3)C2)OCCO1 ZINC000183909292 1430812025 /nfs/dbraw/zinc/81/20/25/1430812025.db2.gz QKMWUQHQDQCQLC-ZDUSSCGKSA-N 0 1 386.464 3.415 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000183920179 1430813304 /nfs/dbraw/zinc/81/33/04/1430813304.db2.gz HTVRQAWRHJQJTR-UHFFFAOYSA-N 0 1 375.791 3.498 20 0 GGADMN Cc1ccccc1C(N[C@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccccc1C ZINC000183927082 1430814264 /nfs/dbraw/zinc/81/42/64/1430814264.db2.gz YTVLIITXJWRLGD-GOSISDBHSA-N 0 1 393.531 3.095 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(CCOc3ccccc3C(=O)[O-])CC2)c1 ZINC000183934701 1430814946 /nfs/dbraw/zinc/81/49/46/1430814946.db2.gz MJBYCIGFQUFHKQ-KRWDZBQOSA-N 0 1 384.476 3.151 20 0 GGADMN COc1cccc([C@H](C)N2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)c1 ZINC000183934701 1430814948 /nfs/dbraw/zinc/81/49/48/1430814948.db2.gz MJBYCIGFQUFHKQ-KRWDZBQOSA-N 0 1 384.476 3.151 20 0 GGADMN COc1ccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1Cl ZINC000183934863 1430814983 /nfs/dbraw/zinc/81/49/83/1430814983.db2.gz CFHJWHVYYZFCOI-UHFFFAOYSA-N 0 1 387.827 3.367 20 0 GGADMN Cc1cnc(C(C)(C)NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)s1 ZINC000183943338 1430816007 /nfs/dbraw/zinc/81/60/07/1430816007.db2.gz UIMRNIFWUSNZSS-UHFFFAOYSA-N 0 1 386.521 3.432 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccccc1OC(F)F ZINC000183945589 1430816442 /nfs/dbraw/zinc/81/64/42/1430816442.db2.gz NRKKTPQCJJOYMS-UHFFFAOYSA-N 0 1 389.362 3.307 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCSc2nc(-c3ccccc3O)n[nH]2)c1 ZINC000183954793 1430818155 /nfs/dbraw/zinc/81/81/55/1430818155.db2.gz LZROKKZGEWJQGV-UHFFFAOYSA-N 0 1 389.502 3.442 20 0 GGADMN CCOc1cc(NC2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)ncn1 ZINC000183966442 1430819855 /nfs/dbraw/zinc/81/98/55/1430819855.db2.gz LZQMNANYMABBQI-UHFFFAOYSA-N 0 1 398.511 3.363 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cccc(Cl)c1F ZINC000183966984 1430819901 /nfs/dbraw/zinc/81/99/01/1430819901.db2.gz HALSZIGCDXQPNL-UHFFFAOYSA-N 0 1 375.791 3.498 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000183968679 1430820477 /nfs/dbraw/zinc/82/04/77/1430820477.db2.gz LTRYBAVYVALGNB-UHFFFAOYSA-N 0 1 376.497 3.218 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nc[nH]n2)cc1)N1CCCC1 ZINC000183971856 1430820874 /nfs/dbraw/zinc/82/08/74/1430820874.db2.gz QREQBUFZVGJDLA-LJQANCHMSA-N 0 1 391.475 3.047 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000183980019 1430822559 /nfs/dbraw/zinc/82/25/59/1430822559.db2.gz HNYQOIPTBOPWFT-UHFFFAOYSA-N 0 1 399.857 3.222 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000183993784 1430825525 /nfs/dbraw/zinc/82/55/25/1430825525.db2.gz WGEBUHNVTAVWHO-LJQANCHMSA-N 0 1 380.492 3.222 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000183994192 1430825799 /nfs/dbraw/zinc/82/57/99/1430825799.db2.gz IXVSPPBMARPPQJ-NWDGAFQWSA-N 0 1 399.390 3.345 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2nn(-c3ccccc3)cc2C)N(C)C)c1 ZINC000183998740 1430826327 /nfs/dbraw/zinc/82/63/27/1430826327.db2.gz IGRSWDSRPAJMQZ-HXUWFJFHSA-N 0 1 378.476 3.222 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CCN1Cc1ccccc1 ZINC000183999519 1430826601 /nfs/dbraw/zinc/82/66/01/1430826601.db2.gz GZCBSKMFSPKJKC-GOSISDBHSA-N 0 1 394.475 3.260 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cncnc3N3CCCC3)[nH]2)c1 ZINC000184019497 1430829765 /nfs/dbraw/zinc/82/97/65/1430829765.db2.gz UHTWXVDBXCIIRH-UHFFFAOYSA-N 0 1 378.436 3.036 20 0 GGADMN COC(=O)[C@H](C)Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000184038471 1430832814 /nfs/dbraw/zinc/83/28/14/1430832814.db2.gz ODSUNIPWLPWUAP-GFCCVEGCSA-N 0 1 382.869 3.196 20 0 GGADMN Clc1ccc(-n2cc(CN[C@@H]3CCN(c4ccccn4)C3)nn2)cc1Cl ZINC000184043741 1430833357 /nfs/dbraw/zinc/83/33/57/1430833357.db2.gz IJAWARDDAPYYMF-CYBMUJFWSA-N 0 1 389.290 3.338 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000184059727 1430835837 /nfs/dbraw/zinc/83/58/37/1430835837.db2.gz RDNBLQKAKKMPEA-HNNXBMFYSA-N 0 1 386.418 3.090 20 0 GGADMN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccc1 ZINC000184065987 1430836866 /nfs/dbraw/zinc/83/68/66/1430836866.db2.gz CNZYDCHJWNDRLE-SFHVURJKSA-N 0 1 378.432 3.285 20 0 GGADMN CN(C)c1c(Cl)cccc1NC(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000184083973 1430839046 /nfs/dbraw/zinc/83/90/46/1430839046.db2.gz WIWYKTMXFPOCHU-UHFFFAOYSA-N 0 1 383.839 3.421 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCOCC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000184085778 1430839287 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COc1ccccc1S(=O)(=O)CCCN1CCN(C2CCC(C)CC2)CC1 ZINC000184216865 1430857797 /nfs/dbraw/zinc/85/77/97/1430857797.db2.gz XKSYVTVCXHUYGP-UHFFFAOYSA-N 0 1 394.581 3.055 20 0 GGADMN COc1ccc(Cl)c(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000184226855 1430859106 /nfs/dbraw/zinc/85/91/06/1430859106.db2.gz AGQZWBNRTAOSSD-UHFFFAOYSA-N 0 1 387.827 3.367 20 0 GGADMN Cc1nc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(-c2ccccc2)o1 ZINC000184230400 1430859619 /nfs/dbraw/zinc/85/96/19/1430859619.db2.gz JCVCDHGRNOTCMS-WOJBJXKFSA-N 0 1 391.471 3.015 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1C ZINC000184231653 1430859807 /nfs/dbraw/zinc/85/98/07/1430859807.db2.gz RDUKVXFZJIAVMT-UHFFFAOYSA-N 0 1 389.452 3.497 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@]1(C)Cc1ccccc1)N1CCN(C)CC1 ZINC000184231834 1430859867 /nfs/dbraw/zinc/85/98/67/1430859867.db2.gz HJJSDKOCCBFNHM-JTHBVZDNSA-N 0 1 386.584 3.065 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2c(C)cnn2Cc2ccccc2F)c1 ZINC000184232011 1430859876 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C[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)c1ccc(Cl)c2ccccc21 ZINC000184288565 1430868776 /nfs/dbraw/zinc/86/87/76/1430868776.db2.gz MBRZZHRRDUYPTP-LBPRGKRZSA-N 0 1 394.866 3.473 20 0 GGADMN C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000184299441 1430870270 /nfs/dbraw/zinc/87/02/70/1430870270.db2.gz SHLDHAFHTZSLMK-SFHVURJKSA-N 0 1 399.510 3.161 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)NCCCS(=O)(=O)c1ccccc1OC ZINC000184303812 1430871096 /nfs/dbraw/zinc/87/10/96/1430871096.db2.gz OBQYROMKDIHZTJ-CQSZACIVSA-N 0 1 381.469 3.358 20 0 GGADMN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000184311700 1430871826 /nfs/dbraw/zinc/87/18/26/1430871826.db2.gz AJZBWZFWSOPVQG-UHFFFAOYSA-N 0 1 392.814 3.381 20 0 GGADMN COCc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccccc1 ZINC000184323377 1430873343 /nfs/dbraw/zinc/87/33/43/1430873343.db2.gz QIBNOVQRQGZRQQ-UHFFFAOYSA-N 0 1 393.422 3.007 20 0 GGADMN C[S@](=O)Cc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000184328808 1430873640 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392.390 3.080 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCO[C@@H](C)C1 ZINC000184343875 1430875781 /nfs/dbraw/zinc/87/57/81/1430875781.db2.gz BXQYGJNHCIKRPN-STQMWFEESA-N 0 1 377.485 3.156 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cc(=O)n2nccc2[nH]1 ZINC000184344839 1430875794 /nfs/dbraw/zinc/87/57/94/1430875794.db2.gz HXSCNSULGFGNOM-LLVKDONJSA-N 0 1 383.452 3.444 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)NC(=O)NCC(C)C ZINC000184343896 1430875816 /nfs/dbraw/zinc/87/58/16/1430875816.db2.gz ZGPTWHIUEPSZEB-GFCCVEGCSA-N 0 1 392.500 3.390 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1cc(=O)n2nccc2[nH]1 ZINC000184344861 1430875842 /nfs/dbraw/zinc/87/58/42/1430875842.db2.gz HXSCNSULGFGNOM-NSHDSACASA-N 0 1 383.452 3.444 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C[S@](C)=O)CN1Cc1ccccc1 ZINC000184345852 1430876117 /nfs/dbraw/zinc/87/61/17/1430876117.db2.gz BLNZOVUMXRXIDW-GHJQATOXSA-N 0 1 385.533 3.350 20 0 GGADMN CC[C@@H](NC[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000184348441 1430876205 /nfs/dbraw/zinc/87/62/05/1430876205.db2.gz USKKYLPNCQIHTC-HZPDHXFCSA-N 0 1 378.494 3.143 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(OCC2CC2)cc1 ZINC000184349066 1430876304 /nfs/dbraw/zinc/87/63/04/1430876304.db2.gz QFTGIMLIRCKJBL-UHFFFAOYSA-N 0 1 393.447 3.494 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@H](C)c1cc2ccccc2s1)c1ccccc1 ZINC000184354647 1430877311 /nfs/dbraw/zinc/87/73/11/1430877311.db2.gz JTIJZGVUBWENJJ-VLIAUNLRSA-N 0 1 381.501 3.155 20 0 GGADMN C[S@@](=O)Cc1ccccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000184356164 1430877606 /nfs/dbraw/zinc/87/76/06/1430877606.db2.gz SKGMFUDRXSHDRQ-AREMUKBSSA-N 0 1 377.554 3.295 20 0 GGADMN O=C(Nc1nc2ccccn2n1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000184396809 1430882947 /nfs/dbraw/zinc/88/29/47/1430882947.db2.gz MZSWEWZKHXPRNI-UHFFFAOYSA-N 0 1 384.871 3.169 20 0 GGADMN CSc1c(F)cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000184404113 1430883865 /nfs/dbraw/zinc/88/38/65/1430883865.db2.gz QGKXPEOMOLISAU-ZDUSSCGKSA-N 0 1 385.480 3.263 20 0 GGADMN COc1cc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184405043 1430884032 /nfs/dbraw/zinc/88/40/32/1430884032.db2.gz WBDRBXNNQBBNCP-AWEZNQCLSA-N 0 1 383.420 3.135 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3cc(F)c(SC)c(F)c3)CC2)c1 ZINC000184404271 1430884053 /nfs/dbraw/zinc/88/40/53/1430884053.db2.gz FYRWCFKMFRDTRQ-UHFFFAOYSA-N 0 1 394.447 3.444 20 0 GGADMN CSc1c(F)cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1F ZINC000184404096 1430884064 /nfs/dbraw/zinc/88/40/64/1430884064.db2.gz QGKXPEOMOLISAU-CYBMUJFWSA-N 0 1 385.480 3.263 20 0 GGADMN Cc1c(-c2cc(CN3CCCN(Cc4ccc(F)cc4)CC3)on2)cnn1C ZINC000184406731 1430884320 /nfs/dbraw/zinc/88/43/20/1430884320.db2.gz YNRHDZCQCPOWHE-UHFFFAOYSA-N 0 1 383.471 3.231 20 0 GGADMN Cc1c(-c2cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)on2)cnn1C ZINC000184422876 1430886088 /nfs/dbraw/zinc/88/60/88/1430886088.db2.gz SVYXTPCADZZERS-IBGZPJMESA-N 0 1 380.448 3.492 20 0 GGADMN CCCN(Cc1cc(-c2cnn(C)c2C)no1)C[C@H]1COc2ccccc2O1 ZINC000184438235 1430887692 /nfs/dbraw/zinc/88/76/92/1430887692.db2.gz LPQYMYOVPXDBMQ-KRWDZBQOSA-N 0 1 382.464 3.436 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)CC1 ZINC000184437672 1430887789 /nfs/dbraw/zinc/88/77/89/1430887789.db2.gz ABHJYXIOXDDJTD-AWEZNQCLSA-N 0 1 389.849 3.211 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2sc(-c3ccccc3)nc2C)CCN1C[C@@H](C)O ZINC000184471648 1430891522 /nfs/dbraw/zinc/89/15/22/1430891522.db2.gz QOUKEAMHQZLCDS-RHSMWYFYSA-N 0 1 388.537 3.427 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ncoc1-c1ccc(F)cc1 ZINC000184472923 1430891808 /nfs/dbraw/zinc/89/18/08/1430891808.db2.gz KRDHOZYCYINXHO-UHFFFAOYSA-N 0 1 380.423 3.270 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3sc(-c4ccccc4)nc3C)C2)CC1 ZINC000184475779 1430891992 /nfs/dbraw/zinc/89/19/92/1430891992.db2.gz ADMDSXMQZUGGAG-GOSISDBHSA-N 0 1 399.564 3.362 20 0 GGADMN O=C(Nc1cccc(OCC(F)F)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184477859 1430892312 /nfs/dbraw/zinc/89/23/12/1430892312.db2.gz VSDBECQMKOYVCL-LBPRGKRZSA-N 0 1 392.410 3.133 20 0 GGADMN O=C(Nc1cccc(OCC(F)F)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184477878 1430892316 /nfs/dbraw/zinc/89/23/16/1430892316.db2.gz VSDBECQMKOYVCL-GFCCVEGCSA-N 0 1 392.410 3.133 20 0 GGADMN COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184479677 1430892389 /nfs/dbraw/zinc/89/23/89/1430892389.db2.gz GLODVWUBTABBAT-UKRRQHHQSA-N 0 1 392.521 3.318 20 0 GGADMN COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184479646 1430892440 /nfs/dbraw/zinc/89/24/40/1430892440.db2.gz GLODVWUBTABBAT-HIFRSBDPSA-N 0 1 392.521 3.318 20 0 GGADMN C[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184483370 1430893082 /nfs/dbraw/zinc/89/30/82/1430893082.db2.gz QBOMLJXQHKKVFQ-WFASDCNBSA-N 0 1 382.551 3.228 20 0 GGADMN Cc1nc(-c2ccccc2)sc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000184486434 1430893247 /nfs/dbraw/zinc/89/32/47/1430893247.db2.gz NXGBQWGBBDTHPW-UHFFFAOYSA-N 0 1 386.521 3.447 20 0 GGADMN CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)nc1C(C)C ZINC000184488274 1430893472 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Cc1c(-c2cc(CN3CCN(Cc4ccccc4)C(C)(C)C3)on2)cnn1C ZINC000184515835 1430897351 /nfs/dbraw/zinc/89/73/51/1430897351.db2.gz CVIDVTSKFAXLTH-UHFFFAOYSA-N 0 1 379.508 3.480 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000184533237 1430899625 /nfs/dbraw/zinc/89/96/25/1430899625.db2.gz WJSGOSPGDYOANK-UHFFFAOYSA-N 0 1 396.357 3.197 20 0 GGADMN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000184537131 1430900451 /nfs/dbraw/zinc/90/04/51/1430900451.db2.gz RCEZPTNSAKQCEY-AWEZNQCLSA-N 0 1 384.505 3.325 20 0 GGADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000184543106 1430901332 /nfs/dbraw/zinc/90/13/32/1430901332.db2.gz FGUXPSBTRDCEME-UHFFFAOYSA-N 0 1 388.474 3.219 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000184543958 1430901785 /nfs/dbraw/zinc/90/17/85/1430901785.db2.gz HFHZXLRFLAKJLR-OAHLLOKOSA-N 0 1 397.548 3.470 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000184551164 1430902812 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GJABCIMLXWEZSZ-YYWHXJBOSA-N 0 1 388.556 3.500 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000184980840 1431035611 /nfs/dbraw/zinc/03/56/11/1431035611.db2.gz VDACDJIPUSPYKL-QGZVFWFLSA-N 0 1 396.535 3.334 20 0 GGADMN CSc1cccc(C)c1NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000184998573 1431038736 /nfs/dbraw/zinc/03/87/36/1431038736.db2.gz IEPKWDOFTICOOQ-ZWKOTPCHSA-N 0 1 385.533 3.474 20 0 GGADMN COc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1C#N ZINC000185000995 1431039368 /nfs/dbraw/zinc/03/93/68/1431039368.db2.gz MRLYINDBDCWETH-INIZCTEOSA-N 0 1 389.377 3.481 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN1C1CC1 ZINC000185005895 1431040294 /nfs/dbraw/zinc/04/02/94/1431040294.db2.gz QYACQYOTQSBKDM-RNCFNFMXSA-N 0 1 389.805 3.039 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000185019661 1431043157 /nfs/dbraw/zinc/04/31/57/1431043157.db2.gz IKCRQDNFAFXYSQ-KRWDZBQOSA-N 0 1 386.517 3.074 20 0 GGADMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1F ZINC000185033489 1431045435 /nfs/dbraw/zinc/04/54/35/1431045435.db2.gz HCWILZLOZBLULJ-UHFFFAOYSA-N 0 1 393.484 3.134 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccc([S@](C)=O)cc2)CCN1Cc1ccccc1 ZINC000185033082 1431045527 /nfs/dbraw/zinc/04/55/27/1431045527.db2.gz VXAFBWGIQTYVNM-NGOKVRLYSA-N 0 1 399.560 3.230 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)c1nnc2ccccc2c1O ZINC000185039923 1431047113 /nfs/dbraw/zinc/04/71/13/1431047113.db2.gz JRLKPFVCBFORGM-UHFFFAOYSA-N 0 1 388.221 3.255 20 0 GGADMN CCNC(=O)COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000185042508 1431047397 /nfs/dbraw/zinc/04/73/97/1431047397.db2.gz ROGOJRAICVILHC-CYBMUJFWSA-N 0 1 392.883 3.420 20 0 GGADMN O=C(NCCc1ccc(Cl)cc1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185045050 1431048360 /nfs/dbraw/zinc/04/83/60/1431048360.db2.gz ILWYOLNCGMTRNO-UHFFFAOYSA-N 0 1 385.855 3.079 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)cc12 ZINC000185048985 1431049001 /nfs/dbraw/zinc/04/90/01/1431049001.db2.gz LOCUTEDZSQBOLT-LPHOPBHVSA-N 0 1 391.471 3.459 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN[C@H](C)CS(=O)(=O)c3ccc(C)cc3)cn2)n1 ZINC000185058121 1431051164 /nfs/dbraw/zinc/05/11/64/1431051164.db2.gz MKJYQTVEHJLXCP-QGZVFWFLSA-N 0 1 398.532 3.145 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(F)c1 ZINC000185063584 1431052238 /nfs/dbraw/zinc/05/22/38/1431052238.db2.gz JQMUMGDZXLUEKM-IRLDBZIGSA-N 0 1 383.467 3.269 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CC[C@@]3(C2)OCc2ccccc23)N(C)C)c1 ZINC000185064322 1431052686 /nfs/dbraw/zinc/05/26/86/1431052686.db2.gz ZHUJPGZCKQTTNI-GMAHTHKFSA-N 0 1 395.503 3.139 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)n[nH]2)cc1 ZINC000185070165 1431053726 /nfs/dbraw/zinc/05/37/26/1431053726.db2.gz CKRXZUYLEBCZCJ-JOCHJYFZSA-N 0 1 375.428 3.357 20 0 GGADMN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000185079526 1431055725 /nfs/dbraw/zinc/05/57/25/1431055725.db2.gz RVJFDRQXGSDQCH-CYBMUJFWSA-N 0 1 377.282 3.464 20 0 GGADMN Cc1ccc(SCCNC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000185081804 1431056034 /nfs/dbraw/zinc/05/60/34/1431056034.db2.gz UGYWRFYSSGIBGJ-UHFFFAOYSA-N 0 1 397.504 3.284 20 0 GGADMN CC[C@@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1nccs1 ZINC000185085959 1431057318 /nfs/dbraw/zinc/05/73/18/1431057318.db2.gz LVJMMNZEGZFFRN-QGZVFWFLSA-N 0 1 376.501 3.062 20 0 GGADMN O=C(CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)NCC(F)(F)F ZINC000185088294 1431057558 /nfs/dbraw/zinc/05/75/58/1431057558.db2.gz CNKRTVLOJYTOQW-MRXNPFEDSA-N 0 1 394.372 3.185 20 0 GGADMN O=C(CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)NCC1CCC1 ZINC000185089478 1431058154 /nfs/dbraw/zinc/05/81/54/1431058154.db2.gz IQSLUWGPGMMALB-HXUWFJFHSA-N 0 1 380.467 3.423 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN([C@H](C)c1ccc(Br)cc1)CC2 ZINC000185091362 1431058426 /nfs/dbraw/zinc/05/84/26/1431058426.db2.gz NAAZICWWQOFDKI-GFCCVEGCSA-N 0 1 381.270 3.294 20 0 GGADMN O=C(NCC1(CO)CCCC1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000185091007 1431058514 /nfs/dbraw/zinc/05/85/14/1431058514.db2.gz XQJKBDNCLRTJGG-UHFFFAOYSA-N 0 1 379.932 3.156 20 0 GGADMN COc1cc(CNCc2cccc(N3CCCS3(=O)=O)c2)ccc1SC ZINC000185092430 1431058791 /nfs/dbraw/zinc/05/87/91/1431058791.db2.gz PTIRUECLTXUZAY-UHFFFAOYSA-N 0 1 392.546 3.247 20 0 GGADMN C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(F)c2)no1 ZINC000185096076 1431059911 /nfs/dbraw/zinc/05/99/11/1431059911.db2.gz XABNYIZAKFNGRT-CYBMUJFWSA-N 0 1 394.406 3.213 20 0 GGADMN Cc1ncc(CNCc2cccc(N3CCCS3(=O)=O)c2)n1-c1ccccc1 ZINC000185098308 1431060894 /nfs/dbraw/zinc/06/08/94/1431060894.db2.gz YPOVJEHHZGOYQT-UHFFFAOYSA-N 0 1 396.516 3.010 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000185128021 1431067489 /nfs/dbraw/zinc/06/74/89/1431067489.db2.gz UUEJLOFSCVQUIF-BXUZGUMPSA-N 0 1 384.245 3.384 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)COc2ccc(F)cc2F)cc1 ZINC000185125820 1431066914 /nfs/dbraw/zinc/06/69/14/1431066914.db2.gz YLKBXUVVTLDAHE-HUUCEWRRSA-N 0 1 383.460 3.493 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCSC[C@@H]1c1nccs1 ZINC000185138797 1431070564 /nfs/dbraw/zinc/07/05/64/1431070564.db2.gz AYJDHJFOPFLLQW-QGZVFWFLSA-N 0 1 388.562 3.001 20 0 GGADMN O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000185163338 1431075490 /nfs/dbraw/zinc/07/54/90/1431075490.db2.gz PUINBZGOYFUPMP-GDBMZVCRSA-N 0 1 389.431 3.261 20 0 GGADMN O=C([C@@H](Cc1ccccc1)NCc1ccc(Cl)c(F)c1)N1CCOCC1 ZINC000185168578 1431076539 /nfs/dbraw/zinc/07/65/39/1431076539.db2.gz APVFSCBPADIBBH-LJQANCHMSA-N 0 1 376.859 3.039 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185177228 1431077899 /nfs/dbraw/zinc/07/78/99/1431077899.db2.gz NHBCRECELCKDDH-UHFFFAOYSA-N 0 1 383.839 3.192 20 0 GGADMN CCN(C)C(=O)CNCc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC000185181287 1431078886 /nfs/dbraw/zinc/07/88/86/1431078886.db2.gz HUIFPXUKKXZNHZ-UHFFFAOYSA-N 0 1 376.504 3.475 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000185201397 1431083252 /nfs/dbraw/zinc/08/32/52/1431083252.db2.gz CNCILKYQWCSVFI-JKSUJKDBSA-N 0 1 394.541 3.385 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCOCC2)c(F)c1)c1c[nH]c2cccc(F)c21 ZINC000185235986 1431090825 /nfs/dbraw/zinc/09/08/25/1431090825.db2.gz KGMUHYGWKSJVAE-UHFFFAOYSA-N 0 1 393.415 3.084 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)c1nccs1)N1CCCC1 ZINC000185235793 1431090865 /nfs/dbraw/zinc/09/08/65/1431090865.db2.gz XSIIUVXMIBQXIJ-WBVHZDCISA-N 0 1 388.537 3.392 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@@H](C)c2nc(C)cs2)N(C)C)c1 ZINC000185237928 1431091511 /nfs/dbraw/zinc/09/15/11/1431091511.db2.gz VECPFCPIDSSYJS-CXAGYDPISA-N 0 1 376.526 3.166 20 0 GGADMN COc1ccc(C[C@@H](C)CN2CCN(Cc3c(C)noc3C)CC2)cc1F ZINC000185239835 1431091975 /nfs/dbraw/zinc/09/19/75/1431091975.db2.gz ZKVRTWODMYZKAH-OAHLLOKOSA-N 0 1 375.488 3.436 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185241600 1431092061 /nfs/dbraw/zinc/09/20/61/1431092061.db2.gz ZQDQUCZXOVZBQG-UHFFFAOYSA-N 0 1 382.511 3.074 20 0 GGADMN COCc1c(C(=O)N2CCN(CCC(C)(C)C)CC2)cnn1-c1ccccc1 ZINC000185245377 1431092992 /nfs/dbraw/zinc/09/29/92/1431092992.db2.gz JNLFGINUJJCUDH-UHFFFAOYSA-N 0 1 384.524 3.213 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000185261350 1431095790 /nfs/dbraw/zinc/09/57/90/1431095790.db2.gz GOPXVCONEZKZRE-SFHVURJKSA-N 0 1 388.855 3.310 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCNC(=O)OC(C)(C)C)cc1 ZINC000185266681 1431096889 /nfs/dbraw/zinc/09/68/89/1431096889.db2.gz SMBOINNMZWKSTI-ZWKOTPCHSA-N 0 1 396.553 3.194 20 0 GGADMN CCn1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(CC)C3)c(=O)c2cc(Cl)ccc21 ZINC000185267436 1431097131 /nfs/dbraw/zinc/09/71/31/1431097131.db2.gz XIRPXQJFVPUSCU-JKSUJKDBSA-N 0 1 387.911 3.374 20 0 GGADMN C[C@@H]1CN(c2ccc(CNCc3ccc([N+](=O)[O-])c(Cl)c3)cn2)CCO1 ZINC000185274605 1431098210 /nfs/dbraw/zinc/09/82/10/1431098210.db2.gz ZXYZYCSHWGFKEN-CYBMUJFWSA-N 0 1 376.844 3.158 20 0 GGADMN O=C(Nc1cccc(C(F)(F)F)n1)NC1CCN(Cc2ccncc2)CC1 ZINC000185278961 1431098977 /nfs/dbraw/zinc/09/89/77/1431098977.db2.gz OYOZDCLOBHGRAJ-UHFFFAOYSA-N 0 1 379.386 3.282 20 0 GGADMN O=C(NCCc1ccccc1Cl)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185283032 1431099422 /nfs/dbraw/zinc/09/94/22/1431099422.db2.gz PLOZLMYTUPISHC-UHFFFAOYSA-N 0 1 385.855 3.079 20 0 GGADMN O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185284837 1431099794 /nfs/dbraw/zinc/09/97/94/1431099794.db2.gz AHKGPYQCWPSPDH-UHFFFAOYSA-N 0 1 390.472 3.353 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185287771 1431100195 /nfs/dbraw/zinc/10/01/95/1431100195.db2.gz ALYLZLOYQBAVJB-HNNXBMFYSA-N 0 1 395.463 3.343 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185291873 1431101466 /nfs/dbraw/zinc/10/14/66/1431101466.db2.gz RPNCJFODLXABPL-OAHLLOKOSA-N 0 1 390.505 3.095 20 0 GGADMN COc1ccc(CN2CC[C@H](NCc3ccc([N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000185292251 1431102186 /nfs/dbraw/zinc/10/21/86/1431102186.db2.gz IHBMKZRFCCCKHV-KRWDZBQOSA-N 0 1 389.839 3.148 20 0 GGADMN Cc1ccc([C@H](CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)N2CCCC2)o1 ZINC000185298234 1431104259 /nfs/dbraw/zinc/10/42/59/1431104259.db2.gz VKKNZCMGHMNBNA-XLIONFOSSA-N 0 1 390.549 3.485 20 0 GGADMN CC(C)[C@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)N1CCN(C)CC1 ZINC000185299659 1431104628 /nfs/dbraw/zinc/10/46/28/1431104628.db2.gz AECIIHZDDGFCDP-NRFANRHFSA-N 0 1 386.584 3.113 20 0 GGADMN C#C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000185300587 1431105655 /nfs/dbraw/zinc/10/56/55/1431105655.db2.gz PFZBKJYIFUKDCR-NSHDSACASA-N 0 1 380.828 3.031 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H]1CCCOc2ccccc21 ZINC000185311434 1431109959 /nfs/dbraw/zinc/10/99/59/1431109959.db2.gz XZRXPEVFJDOAMZ-KRWDZBQOSA-N 0 1 393.447 3.097 20 0 GGADMN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000185312979 1431110106 /nfs/dbraw/zinc/11/01/06/1431110106.db2.gz HHMDCXHNDAKXEY-IBGZPJMESA-N 0 1 387.568 3.126 20 0 GGADMN COc1ccnc(N2CCN(C(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)c1 ZINC000185322273 1431113268 /nfs/dbraw/zinc/11/32/68/1431113268.db2.gz ODKLQIAZOXWFON-MRXNPFEDSA-N 0 1 378.476 3.034 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000185331280 1431116615 /nfs/dbraw/zinc/11/66/15/1431116615.db2.gz ZHOOROUKDPDIEW-IBGZPJMESA-N 0 1 375.472 3.265 20 0 GGADMN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)sc2c1 ZINC000185331977 1431117426 /nfs/dbraw/zinc/11/74/26/1431117426.db2.gz CMCXAESBKOUIGD-UHFFFAOYSA-N 0 1 378.417 3.292 20 0 GGADMN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000185339380 1431119878 /nfs/dbraw/zinc/11/98/78/1431119878.db2.gz ZBHYRFGDQGHSEN-RTWAWAEBSA-N 0 1 380.573 3.323 20 0 GGADMN CC(C)(NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)cc1 ZINC000185340836 1431119991 /nfs/dbraw/zinc/11/99/91/1431119991.db2.gz JBSHWJDSFSPDPW-UHFFFAOYSA-N 0 1 383.427 3.257 20 0 GGADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000185342564 1431120577 /nfs/dbraw/zinc/12/05/77/1431120577.db2.gz WDDVWEZHUQJXTM-KUHUBIRLSA-N 0 1 392.421 3.225 20 0 GGADMN CC[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1Cc1ccccc1 ZINC000185346121 1431121332 /nfs/dbraw/zinc/12/13/32/1431121332.db2.gz LBQYACAZZYLLBB-IBGZPJMESA-N 0 1 382.508 3.393 20 0 GGADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2n1 ZINC000185348307 1431121847 /nfs/dbraw/zinc/12/18/47/1431121847.db2.gz IQNPBFBLWHKZGI-JPYJTQIMSA-N 0 1 389.499 3.356 20 0 GGADMN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cnc2ccsc2c1 ZINC000185348253 1431122116 /nfs/dbraw/zinc/12/21/16/1431122116.db2.gz XBFPLYRFIFGYBP-OXJNMPFZSA-N 0 1 395.528 3.417 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185348971 1431122717 /nfs/dbraw/zinc/12/27/17/1431122717.db2.gz HZOJWWHLVHIUBR-BEFAXECRSA-N 0 1 388.895 3.166 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000185355160 1431124647 /nfs/dbraw/zinc/12/46/47/1431124647.db2.gz VZPCIRICXAMXLR-NRFANRHFSA-N 0 1 391.515 3.332 20 0 GGADMN CC(C)(O)[C@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360183 1431125750 /nfs/dbraw/zinc/12/57/50/1431125750.db2.gz QCPVWJGAZMNIKA-ZWKOTPCHSA-N 0 1 379.932 3.422 20 0 GGADMN CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360295 1431125930 /nfs/dbraw/zinc/12/59/30/1431125930.db2.gz OALOERVXGQQDQI-GJZGRUSLSA-N 0 1 393.837 3.042 20 0 GGADMN CO[C@@H](C)CCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379350 1431129957 /nfs/dbraw/zinc/12/99/57/1431129957.db2.gz FYAVTXCXHUVQEZ-NSHDSACASA-N 0 1 382.258 3.016 20 0 GGADMN CO[C@@H](C)CCC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185379350 1431129966 /nfs/dbraw/zinc/12/99/66/1431129966.db2.gz FYAVTXCXHUVQEZ-NSHDSACASA-N 0 1 382.258 3.016 20 0 GGADMN CS[C@H](C)CC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379916 1431130529 /nfs/dbraw/zinc/13/05/29/1431130529.db2.gz ICMTYWUPLIIIKG-SNVBAGLBSA-N 0 1 384.299 3.343 20 0 GGADMN CS[C@H](C)CC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185379916 1431130536 /nfs/dbraw/zinc/13/05/36/1431130536.db2.gz ICMTYWUPLIIIKG-SNVBAGLBSA-N 0 1 384.299 3.343 20 0 GGADMN 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GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000185636948 1431190813 /nfs/dbraw/zinc/19/08/13/1431190813.db2.gz UPIYLJGCAIAPGW-OCCSQVGLSA-N 0 1 382.430 3.418 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)Cc1noc2ccccc12)c1ccccc1 ZINC000185637740 1431191453 /nfs/dbraw/zinc/19/14/53/1431191453.db2.gz NKYMJGYFGGXBEJ-IBGZPJMESA-N 0 1 387.505 3.330 20 0 GGADMN COc1cc(CN2CCC(O)(c3ccccc3)CC2)ccc1OC(=O)C1CC1 ZINC000185639127 1431191766 /nfs/dbraw/zinc/19/17/66/1431191766.db2.gz ZDXFNQXHGOJJSK-UHFFFAOYSA-N 0 1 381.472 3.494 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000185641407 1431192591 /nfs/dbraw/zinc/19/25/91/1431192591.db2.gz KNTIXOOBCTWJNT-UHFFFAOYSA-N 0 1 396.535 3.296 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)C(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000185642412 1431192851 /nfs/dbraw/zinc/19/28/51/1431192851.db2.gz FOKANHNUTNIPSM-RHSMWYFYSA-N 0 1 397.441 3.202 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000185650418 1431195743 /nfs/dbraw/zinc/19/57/43/1431195743.db2.gz ICPNSGLEHXFRBR-QGZVFWFLSA-N 0 1 396.487 3.085 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000185651121 1431195933 /nfs/dbraw/zinc/19/59/33/1431195933.db2.gz JJWKLFLQKRRDAL-CABCVRRESA-N 0 1 388.439 3.364 20 0 GGADMN Cc1cc(CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)ccc1Cl ZINC000185651838 1431196134 /nfs/dbraw/zinc/19/61/34/1431196134.db2.gz GOCQSRZCZKMGBL-UHFFFAOYSA-N 0 1 385.855 3.345 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CCSC3(CCOCC3)C2)N2CCCC2)o1 ZINC000185651863 1431196162 /nfs/dbraw/zinc/19/61/62/1431196162.db2.gz RRROOKOKYFXTNG-KRWDZBQOSA-N 0 1 393.553 3.033 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)N1CCc2ccccc21 ZINC000185652923 1431196770 /nfs/dbraw/zinc/19/67/70/1431196770.db2.gz MYBCSIYWSRLZBE-GFCCVEGCSA-N 0 1 380.414 3.302 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000185660378 1431198682 /nfs/dbraw/zinc/19/86/82/1431198682.db2.gz XSBFABRWUTXJMJ-CHWSQXEVSA-N 0 1 392.402 3.194 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000185660444 1431198946 /nfs/dbraw/zinc/19/89/46/1431198946.db2.gz CHEQHIKVTVKYAP-QWHCGFSZSA-N 0 1 392.402 3.194 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H]1CCCc2sccc21 ZINC000185660841 1431199222 /nfs/dbraw/zinc/19/92/22/1431199222.db2.gz FHDJSDGLZDRGDF-HNNXBMFYSA-N 0 1 383.477 3.322 20 0 GGADMN CCOc1cc(NC2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)ncn1 ZINC000185663935 1431199734 /nfs/dbraw/zinc/19/97/34/1431199734.db2.gz REQBOHKDJQPOKQ-UHFFFAOYSA-N 0 1 396.470 3.481 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000185665188 1431200014 /nfs/dbraw/zinc/20/00/14/1431200014.db2.gz KBGNYUPJXUUGAI-CHWSQXEVSA-N 0 1 392.402 3.194 20 0 GGADMN CCOc1cc(NC2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)ncn1 ZINC000185666727 1431200862 /nfs/dbraw/zinc/20/08/62/1431200862.db2.gz DMELRDYROMFHAI-UHFFFAOYSA-N 0 1 396.470 3.481 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000185669574 1431201360 /nfs/dbraw/zinc/20/13/60/1431201360.db2.gz HDKFGDJRFFIKEV-GFCCVEGCSA-N 0 1 394.830 3.320 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CN2C[C@H](c3cccc(OC)c3)CC2=O)C1 ZINC000185677502 1431203355 /nfs/dbraw/zinc/20/33/55/1431203355.db2.gz OBBSVTXWURQYQJ-PKOBYXMFSA-N 0 1 388.508 3.024 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000185681213 1431204215 /nfs/dbraw/zinc/20/42/15/1431204215.db2.gz CUDLJJVZLJTWIV-CHWSQXEVSA-N 0 1 392.402 3.194 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000185685241 1431205332 /nfs/dbraw/zinc/20/53/32/1431205332.db2.gz FHAAFNGVJZTAPE-CQSZACIVSA-N 0 1 390.867 3.490 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCN([C@@H](C)c2nccs2)CC1)c1ccccc1 ZINC000185687124 1431206102 /nfs/dbraw/zinc/20/61/02/1431206102.db2.gz BYQMUFUTBULIMV-PKOBYXMFSA-N 0 1 386.565 3.431 20 0 GGADMN C/C=C/C[C@H](CO)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000185689997 1431207233 /nfs/dbraw/zinc/20/72/33/1431207233.db2.gz UQUYQFPBXXYIRJ-ZMUQKWFASA-N 0 1 379.932 3.178 20 0 GGADMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185694505 1431208008 /nfs/dbraw/zinc/20/80/08/1431208008.db2.gz WSRSINCEPVRGJI-HXUWFJFHSA-N 0 1 387.484 3.141 20 0 GGADMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185694526 1431208235 /nfs/dbraw/zinc/20/82/35/1431208235.db2.gz WSRSINCEPVRGJI-FQEVSTJZSA-N 0 1 387.484 3.141 20 0 GGADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000185705542 1431210961 /nfs/dbraw/zinc/21/09/61/1431210961.db2.gz VMJATMMRJJCDJX-IBGZPJMESA-N 0 1 381.524 3.408 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000185705518 1431211139 /nfs/dbraw/zinc/21/11/39/1431211139.db2.gz VMJATMMRJJCDJX-LJQANCHMSA-N 0 1 381.524 3.408 20 0 GGADMN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185706388 1431211557 /nfs/dbraw/zinc/21/15/57/1431211557.db2.gz KCQKCHHZNBOTGH-UHFFFAOYSA-N 0 1 394.822 3.148 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)nc2c1CCCC2 ZINC000185719477 1431215225 /nfs/dbraw/zinc/21/52/25/1431215225.db2.gz PVRIFFZFUOONKM-UHFFFAOYSA-N 0 1 383.420 3.109 20 0 GGADMN COc1ccccc1C(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000185727769 1431216826 /nfs/dbraw/zinc/21/68/26/1431216826.db2.gz VYSNTJPJNLRAPD-UHFFFAOYSA-N 0 1 393.487 3.049 20 0 GGADMN CC1(C)[C@H](NCc2cn(Cc3cccnc3)nn2)C[C@H]1OCc1ccccc1 ZINC000185736084 1431218981 /nfs/dbraw/zinc/21/89/81/1431218981.db2.gz PRBQIRJPPYIGMS-NHCUHLMSSA-N 0 1 377.492 3.195 20 0 GGADMN Cc1nnc(SCCC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)[nH]1 ZINC000185738603 1431219925 /nfs/dbraw/zinc/21/99/25/1431219925.db2.gz YKVWXJFMCRYVMG-GOSISDBHSA-N 0 1 382.489 3.112 20 0 GGADMN Cc1nnc(SCCC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)[nH]1 ZINC000185738586 1431220112 /nfs/dbraw/zinc/22/01/12/1431220112.db2.gz YKVWXJFMCRYVMG-SFHVURJKSA-N 0 1 382.489 3.112 20 0 GGADMN COCC1=CCN(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000185744283 1431221570 /nfs/dbraw/zinc/22/15/70/1431221570.db2.gz MKGIVGBFLYCJIM-APWZRJJASA-N 0 1 395.906 3.460 20 0 GGADMN C[C@H](c1nccs1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000185751607 1431224410 /nfs/dbraw/zinc/22/44/10/1431224410.db2.gz RFRWYTGFUIDQQR-CYBMUJFWSA-N 0 1 385.468 3.191 20 0 GGADMN COc1ccccc1C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000185759694 1431227149 /nfs/dbraw/zinc/22/71/49/1431227149.db2.gz MXUSDTWJZAUVNP-UHFFFAOYSA-N 0 1 384.501 3.108 20 0 GGADMN Cc1cccc(CN(CCN(C)C)S(=O)(=O)Cc2noc3ccccc32)c1 ZINC000185762258 1431227889 /nfs/dbraw/zinc/22/78/89/1431227889.db2.gz YVBZEBKAWMDIHK-UHFFFAOYSA-N 0 1 387.505 3.030 20 0 GGADMN O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccc2c1O ZINC000185763830 1431228086 /nfs/dbraw/zinc/22/80/86/1431228086.db2.gz LOFCNFVHBDECAY-FQEVSTJZSA-N 0 1 385.423 3.054 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000185777071 1431232715 /nfs/dbraw/zinc/23/27/15/1431232715.db2.gz GUEOTQUOFIHCRG-NHCUHLMSSA-N 0 1 388.556 3.462 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC000185777127 1431232768 /nfs/dbraw/zinc/23/27/68/1431232768.db2.gz GUEOTQUOFIHCRG-SFTDATJTSA-N 0 1 388.556 3.462 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)c(Cl)n1 ZINC000185786383 1431235452 /nfs/dbraw/zinc/23/54/52/1431235452.db2.gz LHNPXJBLPDQGRX-UHFFFAOYSA-N 0 1 392.868 3.157 20 0 GGADMN CCOc1cc(CCCNC(=O)c2ccc(-c3nnc[nH]3)cc2)ccc1OC ZINC000185791852 1431237186 /nfs/dbraw/zinc/23/71/86/1431237186.db2.gz IRZMROZTQFGCQH-UHFFFAOYSA-N 0 1 380.448 3.242 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000185799824 1431238800 /nfs/dbraw/zinc/23/88/00/1431238800.db2.gz QYYWJPVYNRJITR-RTWAWAEBSA-N 0 1 383.488 3.474 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000185802676 1431240083 /nfs/dbraw/zinc/24/00/83/1431240083.db2.gz YCOKRAXRTVIOIF-JOCHJYFZSA-N 0 1 391.515 3.032 20 0 GGADMN COC(=O)COc1c(C)cc(CNCc2nc3cc(OC)ccc3n2C)cc1C ZINC000185842478 1431249226 /nfs/dbraw/zinc/24/92/26/1431249226.db2.gz ZVEANFNTHIQOCQ-UHFFFAOYSA-N 0 1 397.475 3.040 20 0 GGADMN CCCn1c(CNCc2ccc(N3CCCS3(=O)=O)cc2)nc2ccccc21 ZINC000185855728 1431252862 /nfs/dbraw/zinc/25/28/62/1431252862.db2.gz NCYILPPXMYFJNH-UHFFFAOYSA-N 0 1 398.532 3.276 20 0 GGADMN CN(Cc1cc2ccccc2o1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185873761 1431258396 /nfs/dbraw/zinc/25/83/96/1431258396.db2.gz OFUZYVCOGFAZCD-UHFFFAOYSA-N 0 1 391.431 3.472 20 0 GGADMN CCOc1cc2c(cc1CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O)O[C@@H](C)C2 ZINC000185875251 1431258807 /nfs/dbraw/zinc/25/88/07/1431258807.db2.gz ZTDKGEYWHCARIJ-UGSOOPFHSA-N 0 1 388.895 3.248 20 0 GGADMN CCOc1cc2c(cc1CN[C@H](Cc1ccc(Cl)cc1)C(N)=O)O[C@@H](C)C2 ZINC000185875270 1431258839 /nfs/dbraw/zinc/25/88/39/1431258839.db2.gz ZTDKGEYWHCARIJ-SCLBCKFNSA-N 0 1 388.895 3.248 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NNc1c(F)cccc1Cl ZINC000185874941 1431258864 /nfs/dbraw/zinc/25/88/64/1431258864.db2.gz HHBIHNOKRGGUGI-UHFFFAOYSA-N 0 1 390.806 3.003 20 0 GGADMN C[C@@H](c1ccco1)N(C(=O)NCc1n[nH]c(COc2ccccc2)n1)C1CC1 ZINC000185874241 1431258892 /nfs/dbraw/zinc/25/88/92/1431258892.db2.gz HIJXSXGTETYYDN-AWEZNQCLSA-N 0 1 381.436 3.412 20 0 GGADMN C[C@H]1c2ccccc2CCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185873965 1431259149 /nfs/dbraw/zinc/25/91/49/1431259149.db2.gz XWEBJTLJYDLHGX-HNNXBMFYSA-N 0 1 377.448 3.213 20 0 GGADMN CCC[C@@H]1CCCCN1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000185876566 1431259585 /nfs/dbraw/zinc/25/95/85/1431259585.db2.gz WLSKDYMMZBTKAR-OAHLLOKOSA-N 0 1 386.475 3.272 20 0 GGADMN CCS[C@H]1CCCCN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185878869 1431260601 /nfs/dbraw/zinc/26/06/01/1431260601.db2.gz AKTIHCROJSMAPJ-INIZCTEOSA-N 0 1 389.525 3.201 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000185879117 1431260624 /nfs/dbraw/zinc/26/06/24/1431260624.db2.gz MACISDSPYYYAHZ-HXUWFJFHSA-N 0 1 399.922 3.152 20 0 GGADMN CCC[C@H]1CCCC[N@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000185879177 1431260711 /nfs/dbraw/zinc/26/07/11/1431260711.db2.gz LVUAYSZPHWIGLD-INIZCTEOSA-N 0 1 392.569 3.461 20 0 GGADMN CCC[C@H]1CCCCN1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000185879177 1431260716 /nfs/dbraw/zinc/26/07/16/1431260716.db2.gz LVUAYSZPHWIGLD-INIZCTEOSA-N 0 1 392.569 3.461 20 0 GGADMN CN(C(=O)NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CCc2ccccc2C1 ZINC000185878990 1431260791 /nfs/dbraw/zinc/26/07/91/1431260791.db2.gz NYJQFEJSNXZQJI-SFHVURJKSA-N 0 1 391.475 3.083 20 0 GGADMN CCS[C@@H]1CCCCN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185878849 1431260825 /nfs/dbraw/zinc/26/08/25/1431260825.db2.gz AKTIHCROJSMAPJ-MRXNPFEDSA-N 0 1 389.525 3.201 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185879220 1431260837 /nfs/dbraw/zinc/26/08/37/1431260837.db2.gz SEGLSQHXOLATRP-DLBZAZTESA-N 0 1 399.495 3.285 20 0 GGADMN C[C@H]1CN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)[C@H]1c1ccccc1 ZINC000185879843 1431261385 /nfs/dbraw/zinc/26/13/85/1431261385.db2.gz QTMGHLFVLGNHAV-MGPUTAFESA-N 0 1 377.448 3.286 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185884559 1431263261 /nfs/dbraw/zinc/26/32/61/1431263261.db2.gz RLRYOYAJUUNXTQ-HOCLYGCPSA-N 0 1 389.525 3.199 20 0 GGADMN CCN(Cc1ccc(OC)cc1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185887318 1431263947 /nfs/dbraw/zinc/26/39/47/1431263947.db2.gz RWUVIBRBJVCLKU-UHFFFAOYSA-N 0 1 395.463 3.124 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185889421 1431265544 /nfs/dbraw/zinc/26/55/44/1431265544.db2.gz ITMMMTIXKJSCDI-LPHOPBHVSA-N 0 1 391.475 3.471 20 0 GGADMN Cc1cccc(C(C)(C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185893757 1431266835 /nfs/dbraw/zinc/26/68/35/1431266835.db2.gz AGHLSHHFRZCDLE-UHFFFAOYSA-N 0 1 379.464 3.427 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000185894684 1431267310 /nfs/dbraw/zinc/26/73/10/1431267310.db2.gz BZZLGDQQKIVYEB-LIRRHRJNSA-N 0 1 387.911 3.055 20 0 GGADMN CN1CC[C@H](CNC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185897360 1431268451 /nfs/dbraw/zinc/26/84/51/1431268451.db2.gz OSDZQJMQAPXBHZ-PXAZEXFGSA-N 0 1 378.831 3.313 20 0 GGADMN CCCCOc1cc(OC)ccc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000185898415 1431269292 /nfs/dbraw/zinc/26/92/92/1431269292.db2.gz PIUXYDYJAKPNII-UHFFFAOYSA-N 0 1 390.524 3.059 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCc1ccccc1OCC(F)(F)F ZINC000185900702 1431270239 /nfs/dbraw/zinc/27/02/39/1431270239.db2.gz QQROQGBVCQFRTH-OAHLLOKOSA-N 0 1 386.801 3.467 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC1(c2cccc(F)c2)CC1 ZINC000185901505 1431271391 /nfs/dbraw/zinc/27/13/91/1431271391.db2.gz QNXZEHMPFUQAAT-UHFFFAOYSA-N 0 1 381.411 3.011 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185907217 1431274362 /nfs/dbraw/zinc/27/43/62/1431274362.db2.gz VOTCXFTVSLMHCM-SFHVURJKSA-N 0 1 391.475 3.430 20 0 GGADMN O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000185943585 1431288701 /nfs/dbraw/zinc/28/87/01/1431288701.db2.gz NVZJQFJPCPVDDM-HNNXBMFYSA-N 0 1 377.452 3.484 20 0 GGADMN CCCCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000185946649 1431290901 /nfs/dbraw/zinc/29/09/01/1431290901.db2.gz QKTZWOTVLUIKNK-SFHVURJKSA-N 0 1 390.524 3.059 20 0 GGADMN Cc1ccc(CN[C@H](Cc2ccc(Cl)cc2)C(N)=O)c(O[C@H]2CCOC2)c1 ZINC000185948482 1431292335 /nfs/dbraw/zinc/29/23/35/1431292335.db2.gz BZKFLOARNQJWSC-RBUKOAKNSA-N 0 1 388.895 3.002 20 0 GGADMN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185952932 1431293959 /nfs/dbraw/zinc/29/39/59/1431293959.db2.gz SHRUNZUEOVPSIW-GFCCVEGCSA-N 0 1 393.281 3.244 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000185954775 1431294587 /nfs/dbraw/zinc/29/45/87/1431294587.db2.gz DIFRDGZLXUWOCJ-UHFFFAOYSA-N 0 1 393.435 3.017 20 0 GGADMN CCc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccc(OC)cc1 ZINC000185963236 1431299387 /nfs/dbraw/zinc/29/93/87/1431299387.db2.gz QVZDBWJOYAZIJG-UHFFFAOYSA-N 0 1 393.422 3.389 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1nc2ccccc2s1 ZINC000185968705 1431300663 /nfs/dbraw/zinc/30/06/63/1431300663.db2.gz VKCUXSNNINUNLM-UHFFFAOYSA-N 0 1 380.433 3.315 20 0 GGADMN Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000185968978 1431301025 /nfs/dbraw/zinc/30/10/25/1431301025.db2.gz COTOTWBUXLBEOO-UHFFFAOYSA-N 0 1 393.940 3.113 20 0 GGADMN O=C(Nc1cccc(-c2cc[nH]n2)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000185979964 1431304074 /nfs/dbraw/zinc/30/40/74/1431304074.db2.gz TYFYNFHORAFEMZ-UHFFFAOYSA-N 0 1 376.464 3.258 20 0 GGADMN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1 ZINC000185987491 1431305642 /nfs/dbraw/zinc/30/56/42/1431305642.db2.gz LCPWVYLPRYFSML-GFCCVEGCSA-N 0 1 395.463 3.031 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(-c4nnc[nH]4)cc3)ccc2NC1=O ZINC000185990851 1431306631 /nfs/dbraw/zinc/30/66/31/1431306631.db2.gz ZMDRVPXCTVGJFE-SJCJKPOMSA-N 0 1 391.431 3.072 20 0 GGADMN COC(=O)CC[C@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000185999573 1431308050 /nfs/dbraw/zinc/30/80/50/1431308050.db2.gz XFLCTPSHCYVLAR-XLIONFOSSA-N 0 1 389.517 3.441 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000186009153 1431310377 /nfs/dbraw/zinc/31/03/77/1431310377.db2.gz AMDIIHAXDKVBEA-UWJYYQICSA-N 0 1 396.487 3.080 20 0 GGADMN C[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000186015657 1431312070 /nfs/dbraw/zinc/31/20/70/1431312070.db2.gz QFUKVDGDUSAMBZ-PBHICJAKSA-N 0 1 399.495 3.237 20 0 GGADMN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000186035165 1431316030 /nfs/dbraw/zinc/31/60/30/1431316030.db2.gz WPKDNCWDBWBQIK-KRWDZBQOSA-N 0 1 384.442 3.209 20 0 GGADMN C[C@@]1(Cc2ccccc2)CCCN1CC(=O)NNC(=O)c1ccccc1Cl ZINC000186035930 1431316245 /nfs/dbraw/zinc/31/62/45/1431316245.db2.gz KJEOQECYXIISIX-NRFANRHFSA-N 0 1 385.895 3.198 20 0 GGADMN COC(=O)N1CCC([C@H](C)N[C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000186038728 1431317262 /nfs/dbraw/zinc/31/72/62/1431317262.db2.gz JDVHCDJNWVIWNR-UONOGXRCSA-N 0 1 388.468 3.263 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000186068559 1431323806 /nfs/dbraw/zinc/32/38/06/1431323806.db2.gz PILZLBQJTXUUOG-MOPGFXCFSA-N 0 1 391.581 3.229 20 0 GGADMN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186068571 1431323881 /nfs/dbraw/zinc/32/38/81/1431323881.db2.gz NXSWJONRYOJCNI-LJQANCHMSA-N 0 1 382.439 3.443 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000186068579 1431323962 /nfs/dbraw/zinc/32/39/62/1431323962.db2.gz PILZLBQJTXUUOG-OALUTQOASA-N 0 1 391.581 3.229 20 0 GGADMN O=C(C1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F ZINC000186071620 1431324490 /nfs/dbraw/zinc/32/44/90/1431324490.db2.gz BMGQAZZQQLJWQO-AWEZNQCLSA-N 0 1 383.332 3.452 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000186085718 1431327123 /nfs/dbraw/zinc/32/71/23/1431327123.db2.gz XEIWUHUDYNNDLC-BHIYHBOVSA-N 0 1 392.565 3.069 20 0 GGADMN C#CCN1CCC(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000186088714 1431327712 /nfs/dbraw/zinc/32/77/12/1431327712.db2.gz XBTURFGXMWYLSG-UHFFFAOYSA-N 0 1 378.860 3.281 20 0 GGADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000186094846 1431329396 /nfs/dbraw/zinc/32/93/96/1431329396.db2.gz IMBMKFRUWAAXLW-SFHVURJKSA-N 0 1 393.940 3.161 20 0 GGADMN C[C@H](CNC(=O)NCC[C@@](C)(O)c1ccccc1)N1CCc2ccccc2C1 ZINC000186098647 1431330256 /nfs/dbraw/zinc/33/02/56/1431330256.db2.gz VMVAJJVOGHHZTG-WZONZLPQSA-N 0 1 381.520 3.030 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000186100474 1431330347 /nfs/dbraw/zinc/33/03/47/1431330347.db2.gz OPCCCGHCEPKAMT-MRXNPFEDSA-N 0 1 379.913 3.020 20 0 GGADMN CCOc1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c2ncccc12 ZINC000186104063 1431331271 /nfs/dbraw/zinc/33/12/71/1431331271.db2.gz XWRDRJAEEDIKEZ-UHFFFAOYSA-N 0 1 398.507 3.210 20 0 GGADMN Cn1ccc2ccc(NC(=O)NNC(=O)c3ccc(Br)s3)cc21 ZINC000186108512 1431331922 /nfs/dbraw/zinc/33/19/22/1431331922.db2.gz QMWDCNZEJNGKHO-UHFFFAOYSA-N 0 1 393.266 3.469 20 0 GGADMN C[C@@H](Cc1noc(Cc2[nH]nc3c2CCCC3)n1)N(C)C(=O)OC(C)(C)C ZINC000186109192 1431332136 /nfs/dbraw/zinc/33/21/36/1431332136.db2.gz DIUPWCJDKYVYKV-LBPRGKRZSA-N 0 1 375.473 3.060 20 0 GGADMN CCOc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c2ncccc12 ZINC000186113793 1431333195 /nfs/dbraw/zinc/33/31/95/1431333195.db2.gz HSUJTOFQHLDDNZ-KRWDZBQOSA-N 0 1 398.507 3.210 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)c1c(OC)cccc1OC)c1ccccc1 ZINC000186118437 1431334506 /nfs/dbraw/zinc/33/45/06/1431334506.db2.gz RMOKEFVJOGULOI-KRWDZBQOSA-N 0 1 392.521 3.065 20 0 GGADMN CCOC(=O)C1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CCC1 ZINC000186122637 1431335165 /nfs/dbraw/zinc/33/51/65/1431335165.db2.gz TVXWDWJWTCCWGH-OAHLLOKOSA-N 0 1 386.414 3.158 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc2nccn2c1)c1cccc(C(F)(F)F)c1 ZINC000186122998 1431335269 /nfs/dbraw/zinc/33/52/69/1431335269.db2.gz LHPHSIZYZQMVIN-INIZCTEOSA-N 0 1 376.382 3.386 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC000186124534 1431335566 /nfs/dbraw/zinc/33/55/66/1431335566.db2.gz KVQFZRGAYKAWPW-FUHWJXTLSA-N 0 1 378.394 3.428 20 0 GGADMN CCCC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186126860 1431336405 /nfs/dbraw/zinc/33/64/05/1431336405.db2.gz UCCOIRWLUFSJFC-DLBZAZTESA-N 0 1 399.457 3.215 20 0 GGADMN CN(C)[C@H](CNC(=O)CN1CCCCCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000186128040 1431336592 /nfs/dbraw/zinc/33/65/92/1431336592.db2.gz OSXRMPBUGNBYMK-QGZVFWFLSA-N 0 1 399.457 3.217 20 0 GGADMN CC(C)[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)N1CCCC1=O ZINC000186130004 1431337305 /nfs/dbraw/zinc/33/73/05/1431337305.db2.gz GMCSVDFZPFJRQV-WMZOPIPTSA-N 0 1 399.457 3.071 20 0 GGADMN CC(C)[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)N1CCCC1=O ZINC000186130021 1431337485 /nfs/dbraw/zinc/33/74/85/1431337485.db2.gz GMCSVDFZPFJRQV-FUHWJXTLSA-N 0 1 399.457 3.071 20 0 GGADMN CN(C)[C@H](CNC(=O)CCOC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000186131724 1431337593 /nfs/dbraw/zinc/33/75/93/1431337593.db2.gz VCRNMBASPUTTLM-DLBZAZTESA-N 0 1 388.430 3.010 20 0 GGADMN CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186131561 1431337727 /nfs/dbraw/zinc/33/77/27/1431337727.db2.gz GRTXCMIPSYAMJR-SJORKVTESA-N 0 1 399.457 3.215 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCOC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000186131706 1431337800 /nfs/dbraw/zinc/33/78/00/1431337800.db2.gz VCRNMBASPUTTLM-IRXDYDNUSA-N 0 1 388.430 3.010 20 0 GGADMN COc1ccsc1[C@@H](C)NCc1ccccc1OCCN1CCOCC1 ZINC000186133589 1431338459 /nfs/dbraw/zinc/33/84/59/1431338459.db2.gz ARLAHAAMTSJOGJ-MRXNPFEDSA-N 0 1 376.522 3.319 20 0 GGADMN CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccc1 ZINC000186139616 1431339934 /nfs/dbraw/zinc/33/99/34/1431339934.db2.gz JLFDDOUWBWONKS-QGZVFWFLSA-N 0 1 378.432 3.285 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000186144030 1431340726 /nfs/dbraw/zinc/34/07/26/1431340726.db2.gz JXVLSSMMDLGAOZ-CABZTGNLSA-N 0 1 395.219 3.359 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186144580 1431341188 /nfs/dbraw/zinc/34/11/88/1431341188.db2.gz PTYNMBGYXGLQSE-BXKDBHETSA-N 0 1 395.219 3.359 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186144598 1431341363 /nfs/dbraw/zinc/34/13/63/1431341363.db2.gz PTYNMBGYXGLQSE-CABZTGNLSA-N 0 1 395.219 3.359 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000186163397 1431344808 /nfs/dbraw/zinc/34/48/08/1431344808.db2.gz BLTYRPCCBARYOJ-DEOSSOPVSA-N 0 1 386.260 3.197 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186199759 1431350927 /nfs/dbraw/zinc/35/09/27/1431350927.db2.gz AOVSLLJIULHLKV-IBGZPJMESA-N 0 1 385.855 3.498 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000186202321 1431351339 /nfs/dbraw/zinc/35/13/39/1431351339.db2.gz ZPAGZHNTOJCRDQ-OALUTQOASA-N 0 1 380.423 3.339 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3nnc[nH]3)cc2)n(-c2ccccc2)n1 ZINC000186203972 1431351793 /nfs/dbraw/zinc/35/17/93/1431351793.db2.gz ORQKTAMJKUPMAT-HNNXBMFYSA-N 0 1 386.459 3.327 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(Cn2cncn2)CC1)c1ccc2c(c1)CCCC2 ZINC000186215699 1431354407 /nfs/dbraw/zinc/35/44/07/1431354407.db2.gz FXUKRDAMBJYCGV-ROUUACIJSA-N 0 1 395.551 3.135 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000186215284 1431354602 /nfs/dbraw/zinc/35/46/02/1431354602.db2.gz HJGIMJIRAPDBDJ-HXUWFJFHSA-N 0 1 397.544 3.441 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(Cn2cncn2)CC1)c1ccc2ccccc2c1 ZINC000186219782 1431355261 /nfs/dbraw/zinc/35/52/61/1431355261.db2.gz QFRBSGNPLGIBHA-QZTJIDSGSA-N 0 1 391.519 3.409 20 0 GGADMN O=C(NCc1ccc(Cl)cc1F)NC1CCN(Cc2ccncc2)CC1 ZINC000186232502 1431358370 /nfs/dbraw/zinc/35/83/70/1431358370.db2.gz MUTCYTQOCDWNCC-UHFFFAOYSA-N 0 1 376.863 3.338 20 0 GGADMN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000186233108 1431358508 /nfs/dbraw/zinc/35/85/08/1431358508.db2.gz MTAHXZNTMSRQGD-UHFFFAOYSA-N 0 1 384.442 3.351 20 0 GGADMN CC(C)Oc1cc(CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C2CC2)ccn1 ZINC000186237833 1431359246 /nfs/dbraw/zinc/35/92/46/1431359246.db2.gz XFLPEYUADCGKNP-UHFFFAOYSA-N 0 1 377.448 3.459 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000186247260 1431361767 /nfs/dbraw/zinc/36/17/67/1431361767.db2.gz NCLUIZOGTYVBBM-JOCHJYFZSA-N 0 1 399.514 3.177 20 0 GGADMN C[C@H](NC(=O)CN1CCC(Cn2cncn2)CC1)c1ccc2ccccc2c1 ZINC000186263753 1431365782 /nfs/dbraw/zinc/36/57/82/1431365782.db2.gz TVLLPTGJCFAJTC-KRWDZBQOSA-N 0 1 377.492 3.021 20 0 GGADMN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC(Cn3cncn3)CC2)cc1 ZINC000186264730 1431365938 /nfs/dbraw/zinc/36/59/38/1431365938.db2.gz JIKNJKJUAKSEHE-GOSISDBHSA-N 0 1 383.540 3.066 20 0 GGADMN Cc1cc2occ(C(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)c2cc1C ZINC000186271714 1431367740 /nfs/dbraw/zinc/36/77/40/1431367740.db2.gz NTVVIXKFOXTFCC-RBUKOAKNSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1cc2occ(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)c2cc1C ZINC000186271674 1431367889 /nfs/dbraw/zinc/36/78/89/1431367889.db2.gz NTVVIXKFOXTFCC-OALUTQOASA-N 0 1 378.472 3.415 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186274119 1431369090 /nfs/dbraw/zinc/36/90/90/1431369090.db2.gz BZLRSBXHOIHHBX-AWEZNQCLSA-N 0 1 393.409 3.331 20 0 GGADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc(Cl)n1 ZINC000186276758 1431369581 /nfs/dbraw/zinc/36/95/81/1431369581.db2.gz RVVIWYRQHHDZKK-AWEZNQCLSA-N 0 1 379.913 3.468 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000186276827 1431369651 /nfs/dbraw/zinc/36/96/51/1431369651.db2.gz KCBALRCANGWCKT-LJQANCHMSA-N 0 1 385.533 3.216 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)n2)cc1 ZINC000186278239 1431369845 /nfs/dbraw/zinc/36/98/45/1431369845.db2.gz QDCQHWFFHZEKTL-KSSFIOAISA-N 0 1 392.463 3.168 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)n[nH]2)cc1 ZINC000186278239 1431369850 /nfs/dbraw/zinc/36/98/50/1431369850.db2.gz QDCQHWFFHZEKTL-KSSFIOAISA-N 0 1 392.463 3.168 20 0 GGADMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000186282389 1431370964 /nfs/dbraw/zinc/37/09/64/1431370964.db2.gz ITFYLKXNENZEFA-LLVKDONJSA-N 0 1 392.330 3.358 20 0 GGADMN CCCNC(=O)[C@H]1CCCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000186305891 1431377533 /nfs/dbraw/zinc/37/75/33/1431377533.db2.gz RTAMDJJAOJRVEF-WMLDXEAASA-N 0 1 397.441 3.049 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN[C@@H]3CCCO[C@@H]3CC(C)C)nc2c1 ZINC000186308424 1431377973 /nfs/dbraw/zinc/37/79/73/1431377973.db2.gz HIBOBIIMJVBHGO-CRAIPNDOSA-N 0 1 380.510 3.305 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000186308011 1431378092 /nfs/dbraw/zinc/37/80/92/1431378092.db2.gz QJXFHPBVTPQIEH-GOSISDBHSA-N 0 1 390.915 3.177 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000186313599 1431379400 /nfs/dbraw/zinc/37/94/00/1431379400.db2.gz WEYMRQXWUMYPPR-HOTGVXAUSA-N 0 1 383.418 3.364 20 0 GGADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000186313582 1431379533 /nfs/dbraw/zinc/37/95/33/1431379533.db2.gz WEYMRQXWUMYPPR-JKSUJKDBSA-N 0 1 383.418 3.364 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CCN1Cc1ccccc1 ZINC000186316817 1431380529 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GGADMN CCN(Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000186976168 1431581070 /nfs/dbraw/zinc/58/10/70/1431581070.db2.gz QOOUAVRPDIERQR-OAQYLSRUSA-N 0 1 377.488 3.223 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCCCc1nc2ccccc2s1 ZINC000186978869 1431581433 /nfs/dbraw/zinc/58/14/33/1431581433.db2.gz ZBMOHJXMAJQLFO-INIZCTEOSA-N 0 1 389.565 3.313 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000186980444 1431581633 /nfs/dbraw/zinc/58/16/33/1431581633.db2.gz CNWFBYXJONVIEW-FQEVSTJZSA-N 0 1 387.911 3.451 20 0 GGADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1)C1CC1 ZINC000186994887 1431585454 /nfs/dbraw/zinc/58/54/54/1431585454.db2.gz JEQOZSYTCSQNKF-UHFFFAOYSA-N 0 1 376.453 3.446 20 0 GGADMN C[S@](=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000187001803 1431586702 /nfs/dbraw/zinc/58/67/02/1431586702.db2.gz IHUAAORQPVRRFY-SANMLTNESA-N 0 1 399.493 3.456 20 0 GGADMN COc1ccc(CN(CCO)C[C@@H](O)c2ccc(F)cc2Cl)c(OC)c1 ZINC000187023223 1431592901 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CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(C)(C)C)c3O)ccc21 ZINC000187082450 1431608726 /nfs/dbraw/zinc/60/87/26/1431608726.db2.gz HVKCFOJPIIFMJG-UHFFFAOYSA-N 0 1 388.489 3.400 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000187086943 1431610590 /nfs/dbraw/zinc/61/05/90/1431610590.db2.gz NMSVWNJMBYXHSM-SFHVURJKSA-N 0 1 392.459 3.008 20 0 GGADMN COc1ccc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cn1 ZINC000187102819 1431616268 /nfs/dbraw/zinc/61/62/68/1431616268.db2.gz HMOYLHQLDFMLOM-INIZCTEOSA-N 0 1 396.413 3.211 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000187108173 1431617702 /nfs/dbraw/zinc/61/77/02/1431617702.db2.gz RDVYHWPGMDAOKN-KRWDZBQOSA-N 0 1 380.414 3.245 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCN1CCc2ccccc2C1 ZINC000187108929 1431618319 /nfs/dbraw/zinc/61/83/19/1431618319.db2.gz CLQZHZKRBMRUPH-UHFFFAOYSA-N 0 1 392.952 3.282 20 0 GGADMN COc1ncccc1CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187117364 1431620246 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3.232 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(CNCc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187128372 1431624559 /nfs/dbraw/zinc/62/45/59/1431624559.db2.gz XPBFKHJHNNLWDA-INIZCTEOSA-N 0 1 379.504 3.414 20 0 GGADMN CC(C)[C@H](NC(=O)NCCN1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000187131587 1431626098 /nfs/dbraw/zinc/62/60/98/1431626098.db2.gz GGQQVQMEABPMQU-KRWDZBQOSA-N 0 1 387.446 3.424 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)CC1 ZINC000187133934 1431626407 /nfs/dbraw/zinc/62/64/07/1431626407.db2.gz CRSMDZNIJFIBHK-UHFFFAOYSA-N 0 1 387.505 3.279 20 0 GGADMN COc1ccc(C(=O)NC(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)cc1 ZINC000187140356 1431628160 /nfs/dbraw/zinc/62/81/60/1431628160.db2.gz BLWUTZZONPFCFB-UHFFFAOYSA-N 0 1 381.457 3.442 20 0 GGADMN Cc1c([C@@H](C)NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cnn1C ZINC000187140099 1431628329 /nfs/dbraw/zinc/62/83/29/1431628329.db2.gz SMZYVSXMMGDNNO-PXAZEXFGSA-N 0 1 397.445 3.410 20 0 GGADMN O=S(=O)(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(Cl)nc1 ZINC000187142766 1431628751 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GGADMN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NCCN1CCCOCC1 ZINC000187194152 1431642680 /nfs/dbraw/zinc/64/26/80/1431642680.db2.gz WBSOLCPNBSGOPO-IBGZPJMESA-N 0 1 387.549 3.362 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)Cn1cccn1 ZINC000187194729 1431642711 /nfs/dbraw/zinc/64/27/11/1431642711.db2.gz BFQVZKPMVKREFT-PBHICJAKSA-N 0 1 397.445 3.140 20 0 GGADMN C[C@@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)Cn1cccn1 ZINC000187194710 1431643017 /nfs/dbraw/zinc/64/30/17/1431643017.db2.gz BFQVZKPMVKREFT-YOEHRIQHSA-N 0 1 397.445 3.140 20 0 GGADMN CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000187197434 1431643871 /nfs/dbraw/zinc/64/38/71/1431643871.db2.gz SCNOKLNJTOIPLT-UHFFFAOYSA-N 0 1 380.492 3.266 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2nnc(SCc3ccccc3)s2)C1(C)C ZINC000187205026 1431646888 /nfs/dbraw/zinc/64/68/88/1431646888.db2.gz KOQDORPXYXBLFC-ACJLOTCBSA-N 0 1 392.550 3.301 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000187204010 1431647189 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3.210 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000187246079 1431664309 /nfs/dbraw/zinc/66/43/09/1431664309.db2.gz IKXKVDVCVSXVSE-MBSDFSHPSA-N 0 1 396.535 3.204 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(OC(C)C)cc3Cl)C2)CC1 ZINC000187251664 1431666352 /nfs/dbraw/zinc/66/63/52/1431666352.db2.gz XCMIPTGKKZHZEY-INIZCTEOSA-N 0 1 394.947 3.371 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)C1(C)C ZINC000187258670 1431669214 /nfs/dbraw/zinc/66/92/14/1431669214.db2.gz CDJMZPKGPMJXQX-KXBFYZLASA-N 0 1 393.484 3.429 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cccc(CO)c1)c1cccc(C(F)(F)F)c1 ZINC000187258534 1431669690 /nfs/dbraw/zinc/66/96/90/1431669690.db2.gz HGHQGTSBBRNENB-SFHVURJKSA-N 0 1 395.425 3.300 20 0 GGADMN O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CCC(CN2CCOCC2)CC1 ZINC000187262809 1431671874 /nfs/dbraw/zinc/67/18/74/1431671874.db2.gz ARAKIRAANBURSM-GOSISDBHSA-N 0 1 399.457 3.086 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000187266978 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NRPZKGGQTYDDHE-UHFFFAOYSA-N 0 1 376.403 3.495 20 0 GGADMN Cc1ccc(CNCc2ccc3c(c2)CCC(=O)N3C)c(O[C@@H]2CCOC2)c1 ZINC000187295772 1431685436 /nfs/dbraw/zinc/68/54/36/1431685436.db2.gz ZCIPRAYHGPBIRN-HXUWFJFHSA-N 0 1 380.488 3.362 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1cccc(F)c1 ZINC000187302381 1431688387 /nfs/dbraw/zinc/68/83/87/1431688387.db2.gz UTEWJRBXBPYLQU-GOSISDBHSA-N 0 1 387.846 3.093 20 0 GGADMN Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187310699 1431691388 /nfs/dbraw/zinc/69/13/88/1431691388.db2.gz GONCQYFHALDILT-YVEFUNNKSA-N 0 1 397.445 3.410 20 0 GGADMN CNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)cc1 ZINC000187312713 1431692564 /nfs/dbraw/zinc/69/25/64/1431692564.db2.gz LMJZSEGBHXTTLO-UHFFFAOYSA-N 0 1 376.460 3.325 20 0 GGADMN Fc1ccccc1COc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cn1 ZINC000187318752 1431694922 /nfs/dbraw/zinc/69/49/22/1431694922.db2.gz NQEGWFCQELWSBV-SFHVURJKSA-N 0 1 381.455 3.303 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(C)CC1(O)CCCCCC1 ZINC000187329403 1431698810 /nfs/dbraw/zinc/69/88/10/1431698810.db2.gz BRSWEQFHDRRHMA-KRWDZBQOSA-N 0 1 387.524 3.158 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187339291 1431702259 /nfs/dbraw/zinc/70/22/59/1431702259.db2.gz SVRHWIASUUAZGM-QGZVFWFLSA-N 0 1 397.445 3.158 20 0 GGADMN CCCN(CCC)C(=O)c1ccc(NC(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)cc1 ZINC000187342699 1431703021 /nfs/dbraw/zinc/70/30/21/1431703021.db2.gz GORJVURDXDOPGF-XMSQKQJNSA-N 0 1 389.540 3.420 20 0 GGADMN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)NCCN1CCCOCC1 ZINC000187350164 1431705041 /nfs/dbraw/zinc/70/50/41/1431705041.db2.gz DSXMYMMQTKTMEV-GJZGRUSLSA-N 0 1 387.446 3.219 20 0 GGADMN CCCc1cc(C(=O)N(CC(=O)OC)Cc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000187348963 1431705478 /nfs/dbraw/zinc/70/54/78/1431705478.db2.gz MRJMLLWHQMEDDH-UHFFFAOYSA-N 0 1 383.370 3.196 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000187353093 1431706123 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GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cc12 ZINC000187371006 1431711788 /nfs/dbraw/zinc/71/17/88/1431711788.db2.gz KYSKWPTVBOTINC-LJQANCHMSA-N 0 1 391.471 3.461 20 0 GGADMN COCCn1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)n1 ZINC000187372149 1431712468 /nfs/dbraw/zinc/71/24/68/1431712468.db2.gz OQCWXFHZZVBWGY-UHFFFAOYSA-N 0 1 393.422 3.388 20 0 GGADMN CC(C)Cn1cc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cn1 ZINC000187377312 1431714004 /nfs/dbraw/zinc/71/40/04/1431714004.db2.gz CJVLBDYAUOMZAT-MRXNPFEDSA-N 0 1 380.414 3.453 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000187380636 1431714307 /nfs/dbraw/zinc/71/43/07/1431714307.db2.gz TZMGWFQMFOKFNM-SJORKVTESA-N 0 1 377.529 3.021 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C ZINC000187384864 1431715167 /nfs/dbraw/zinc/71/51/67/1431715167.db2.gz KLSLATDHCXUVPE-UWJYYQICSA-N 0 1 392.927 3.294 20 0 GGADMN C[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C(N)=O)C1 ZINC000187387015 1431715860 /nfs/dbraw/zinc/71/58/60/1431715860.db2.gz JHVJPMXIZISKFA-LPHOPBHVSA-N 0 1 381.476 3.393 20 0 GGADMN C[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C(N)=O)C1 ZINC000187386995 1431715888 /nfs/dbraw/zinc/71/58/88/1431715888.db2.gz JHVJPMXIZISKFA-APWZRJJASA-N 0 1 381.476 3.393 20 0 GGADMN CC[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccccc1OC(F)F ZINC000187408377 1431721665 /nfs/dbraw/zinc/72/16/65/1431721665.db2.gz UIIZIYLMUASYSB-HOCLYGCPSA-N 0 1 399.482 3.226 20 0 GGADMN Cc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)nc(C(F)(F)F)n1 ZINC000187416366 1431723745 /nfs/dbraw/zinc/72/37/45/1431723745.db2.gz XOLRIUHCRJFABC-UHFFFAOYSA-N 0 1 394.397 3.013 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCCCSC ZINC000187417315 1431723791 /nfs/dbraw/zinc/72/37/91/1431723791.db2.gz SIUMBJQLIQOVBZ-UHFFFAOYSA-N 0 1 394.585 3.492 20 0 GGADMN CC(C)(CNC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000187418740 1431724057 /nfs/dbraw/zinc/72/40/57/1431724057.db2.gz AZQBDWYUVPTQOK-OAHLLOKOSA-N 0 1 397.922 3.120 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@H](C)C[C@@H]1C(N)=O)c1ccccc1 ZINC000187419493 1431724510 /nfs/dbraw/zinc/72/45/10/1431724510.db2.gz HGZICHURKMOHST-RMVZNSSTSA-N 0 1 396.531 3.048 20 0 GGADMN CCCN(CCc1cccs1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000187425640 1431725859 /nfs/dbraw/zinc/72/58/59/1431725859.db2.gz XYXWTLLOYQMJTD-UHFFFAOYSA-N 0 1 388.537 3.395 20 0 GGADMN COCc1cccc(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000187437200 1431729804 /nfs/dbraw/zinc/72/98/04/1431729804.db2.gz DTRFQODKXGZGAL-KRWDZBQOSA-N 0 1 399.510 3.144 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000187450746 1431734275 /nfs/dbraw/zinc/73/42/75/1431734275.db2.gz VDAOCDYQSBXYHN-MSOLQXFVSA-N 0 1 395.425 3.341 20 0 GGADMN CCCOc1ccc(C(F)(F)F)cc1NC(=O)NCCN1CCCOCC1 ZINC000187450171 1431734379 /nfs/dbraw/zinc/73/43/79/1431734379.db2.gz GPMFYTUZMHBSRM-UHFFFAOYSA-N 0 1 389.418 3.338 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2ccc3c(c2)COC(C)(C)O3)C1=O ZINC000187451628 1431734666 /nfs/dbraw/zinc/73/46/66/1431734666.db2.gz ROUQSCJKVPJPTI-KRWDZBQOSA-N 0 1 382.460 3.235 20 0 GGADMN COC[C@H]1CCCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000187451924 1431734743 /nfs/dbraw/zinc/73/47/43/1431734743.db2.gz LPWYQALOHJRUED-WMLDXEAASA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187454009 1431735497 /nfs/dbraw/zinc/73/54/97/1431735497.db2.gz WDELVTUYLKDMNB-MRXNPFEDSA-N 0 1 385.430 3.273 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCCC[C@@H]1CCO)c1cccc(C(F)(F)F)c1 ZINC000187453913 1431735594 /nfs/dbraw/zinc/73/55/94/1431735594.db2.gz TYYLFQLQZYEZQP-SJORKVTESA-N 0 1 387.446 3.255 20 0 GGADMN CCC(O)(CC)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187455149 1431735938 /nfs/dbraw/zinc/73/59/38/1431735938.db2.gz WZFZNHMGQFUODG-OAHLLOKOSA-N 0 1 375.435 3.158 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000187457127 1431736283 /nfs/dbraw/zinc/73/62/83/1431736283.db2.gz DTLDTHRHMBOLCR-YJBOKZPZSA-N 0 1 399.413 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ZINC000187460817 1431737906 /nfs/dbraw/zinc/73/79/06/1431737906.db2.gz RMIKNKWXKLNHOW-RHSMWYFYSA-N 0 1 387.446 3.376 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187465297 1431739102 /nfs/dbraw/zinc/73/91/02/1431739102.db2.gz CEXRIHRCBQTLDF-IRXDYDNUSA-N 0 1 396.409 3.155 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000187464006 1431739280 /nfs/dbraw/zinc/73/92/80/1431739280.db2.gz FLTFUNAUVXIJDI-GJZGRUSLSA-N 0 1 386.439 3.089 20 0 GGADMN C[C@@H](O)C1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187464249 1431739299 /nfs/dbraw/zinc/73/92/99/1431739299.db2.gz ZGZWEBFKUWKVRE-DYVFJYSZSA-N 0 1 387.446 3.111 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)C[C@@H](C)O1 ZINC000187465390 1431739779 /nfs/dbraw/zinc/73/97/79/1431739779.db2.gz QWDUONJWMNHIET-HUUCEWRRSA-N 0 1 382.464 3.052 20 0 GGADMN COCc1cccc(CC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000187469389 1431740630 /nfs/dbraw/zinc/74/06/30/1431740630.db2.gz 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CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@H]3CN3C[C@@H](C)O[C@@H](C)C3)c21 ZINC000187484327 1431745832 /nfs/dbraw/zinc/74/58/32/1431745832.db2.gz XCASKMQJKNWIOM-SCTDSRPQSA-N 0 1 399.535 3.209 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1(C)C ZINC000187494256 1431747687 /nfs/dbraw/zinc/74/76/87/1431747687.db2.gz KCUKTLNZVXRSLD-AVRDEDQJSA-N 0 1 387.524 3.220 20 0 GGADMN CC1(C)OCc2cc(CNCC(=O)Nc3ccc(F)c(F)c3F)ccc2O1 ZINC000187493926 1431747832 /nfs/dbraw/zinc/74/78/32/1431747832.db2.gz GMYSYGDKLCYKCW-UHFFFAOYSA-N 0 1 380.366 3.477 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(Cc2ccncc2)CC1 ZINC000187495427 1431748457 /nfs/dbraw/zinc/74/84/57/1431748457.db2.gz NTMPEPWCILBKCX-UHFFFAOYSA-N 0 1 387.896 3.145 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)C1(C)C ZINC000187501277 1431749771 /nfs/dbraw/zinc/74/97/71/1431749771.db2.gz DHDOIHVYQLSYTR-QAPCUYQASA-N 0 1 396.413 3.362 20 0 GGADMN COC[C@@H](C)n1ccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)n1 ZINC000187523079 1431756009 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C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)o1 ZINC000187555726 1431765268 /nfs/dbraw/zinc/76/52/68/1431765268.db2.gz ZVAMKBMBDADJRO-CZUORRHYSA-N 0 1 378.469 3.372 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)NC1(Cc2cccc(F)c2)CCC1 ZINC000187558407 1431766264 /nfs/dbraw/zinc/76/62/64/1431766264.db2.gz PYMKKZYTPFWXHL-UHFFFAOYSA-N 0 1 396.510 3.014 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CCO2)n[nH]1 ZINC000187559299 1431766779 /nfs/dbraw/zinc/76/67/79/1431766779.db2.gz WOWKGQUWEYVHAC-CQSZACIVSA-N 0 1 394.397 3.018 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1(C)C ZINC000187566154 1431769233 /nfs/dbraw/zinc/76/92/33/1431769233.db2.gz ABYJUOOBLQKDPZ-OXJNMPFZSA-N 0 1 387.505 3.471 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1(C)C ZINC000187566114 1431769339 /nfs/dbraw/zinc/76/93/39/1431769339.db2.gz ABYJUOOBLQKDPZ-JXFKEZNVSA-N 0 1 387.505 3.471 20 0 GGADMN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2nc3cc(C)ccc3n2C)c1 ZINC000187575565 1431771173 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GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000187625719 1431781344 /nfs/dbraw/zinc/78/13/44/1431781344.db2.gz WTSUQNIKPYGMOT-YJBOKZPZSA-N 0 1 379.520 3.400 20 0 GGADMN Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000187626786 1431782075 /nfs/dbraw/zinc/78/20/75/1431782075.db2.gz GGQWZSQKNBLMJS-UHFFFAOYSA-N 0 1 377.452 3.340 20 0 GGADMN COc1ccnc(N2CCN(C(=O)C3(Cc4ccccc4Cl)CC3)CC2)c1 ZINC000187629204 1431782355 /nfs/dbraw/zinc/78/23/55/1431782355.db2.gz ZHPNPEDBGVWLRV-UHFFFAOYSA-N 0 1 385.895 3.415 20 0 GGADMN Nc1ccncc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000187634074 1431784371 /nfs/dbraw/zinc/78/43/71/1431784371.db2.gz XWPAQFNUMDYBAW-ZDUSSCGKSA-N 0 1 383.839 3.387 20 0 GGADMN CC[C@]1(CO)CCCN(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000187639843 1431785692 /nfs/dbraw/zinc/78/56/92/1431785692.db2.gz JIPFNMIFYPJJGF-KSSFIOAISA-N 0 1 388.430 3.247 20 0 GGADMN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1c[nH]nc1-c1ccsc1 ZINC000187642447 1431785948 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CC[C@@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000187773818 1431810616 /nfs/dbraw/zinc/81/06/16/1431810616.db2.gz JIAURBXBRDPGFV-VQTJNVASSA-N 0 1 397.523 3.048 20 0 GGADMN CCN(CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@@H](C)Cc1ccsc1 ZINC000187774328 1431810904 /nfs/dbraw/zinc/81/09/04/1431810904.db2.gz YHHOIMJWUSSLGV-HNNXBMFYSA-N 0 1 389.521 3.496 20 0 GGADMN CCOC(C)(C)CN[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000187776527 1431811176 /nfs/dbraw/zinc/81/11/76/1431811176.db2.gz OTVUOEDTPDEMGH-FQEVSTJZSA-N 0 1 384.476 3.178 20 0 GGADMN COC(=O)[C@@H](NC(=O)CCc1nc2cccc(C)c2[nH]1)c1cc(C)cc(C)c1 ZINC000187778783 1431811430 /nfs/dbraw/zinc/81/14/30/1431811430.db2.gz CMPIKGLYWRGDJK-NRFANRHFSA-N 0 1 379.460 3.451 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccccc1CN1CCc2ccccc21 ZINC000187793640 1431812981 /nfs/dbraw/zinc/81/29/81/1431812981.db2.gz KEIQTMZYVLGIHO-UHFFFAOYSA-N 0 1 394.519 3.093 20 0 GGADMN CCN(CC(=O)Nc1ccccc1SCC(N)=O)[C@@H](C)Cc1ccsc1 ZINC000187798900 1431813702 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GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000187833324 1431817874 /nfs/dbraw/zinc/81/78/74/1431817874.db2.gz ZGFHTUCSOSUEJA-QILLFSRXSA-N 0 1 396.491 3.209 20 0 GGADMN Cc1cccn2cc(COc3ccc(CN(C)[C@H](C)C[S@](C)=O)cc3)nc12 ZINC000187840127 1431818636 /nfs/dbraw/zinc/81/86/36/1431818636.db2.gz SLYXHJSSQPCFKF-CRYYWNKWSA-N 0 1 385.533 3.421 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)C1(C)C ZINC000187849678 1431819802 /nfs/dbraw/zinc/81/98/02/1431819802.db2.gz UINJXSHBDUMGRB-UGKGYDQZSA-N 0 1 390.524 3.271 20 0 GGADMN CC[C@@H]1CN(C(=O)c2coc(CN)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000187871743 1431822243 /nfs/dbraw/zinc/82/22/43/1431822243.db2.gz URHOWSYBFVZDLC-RTBURBONSA-N 0 1 399.491 3.390 20 0 GGADMN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NOC[C@@H]1CCOC1 ZINC000187894491 1431825048 /nfs/dbraw/zinc/82/50/48/1431825048.db2.gz BAIVEBCRLMIKIP-GFCCVEGCSA-N 0 1 382.869 3.002 20 0 GGADMN CN(Cc1ccccc1)c1ccccc1NC(=O)NCCN1CCCOCC1 ZINC000187920235 1431827380 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O=C(COc1ccc2c(c1)CCC2=O)Nc1cccc(CN2CCSCC2)c1 ZINC000188035063 1431838286 /nfs/dbraw/zinc/83/82/86/1431838286.db2.gz NXPOSFGVPRRSCV-UHFFFAOYSA-N 0 1 396.512 3.382 20 0 GGADMN CN(Cc1cc(Br)ccc1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188079605 1431843787 /nfs/dbraw/zinc/84/37/87/1431843787.db2.gz MMMIZUDKGXXMRX-KRWDZBQOSA-N 0 1 389.293 3.388 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nn3cnc4ccccc43)c2C1 ZINC000188090679 1431845433 /nfs/dbraw/zinc/84/54/33/1431845433.db2.gz WZJKSDFSVDYBDL-OAHLLOKOSA-N 0 1 391.475 3.105 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3cnn(CC(F)F)c3)cc2)C1 ZINC000188140254 1431852171 /nfs/dbraw/zinc/85/21/71/1431852171.db2.gz UMLMEEGSMMXKIV-AWEZNQCLSA-N 0 1 398.479 3.181 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCc4ccc(C(C)C)cc43)C2)CC1 ZINC000188142795 1431852546 /nfs/dbraw/zinc/85/25/46/1431852546.db2.gz RSCMWZVPRLQKCF-UNMCSNQZSA-N 0 1 384.568 3.219 20 0 GGADMN CSc1nn(CC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)c(=O)[nH]1 ZINC000188159625 1431854709 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3.235 20 0 GGADMN COCCOc1cc(OC)ccc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000188185175 1431858305 /nfs/dbraw/zinc/85/83/05/1431858305.db2.gz FCTUKMQGXCOESJ-UHFFFAOYSA-N 0 1 398.503 3.069 20 0 GGADMN O=C(NCc1ccnc(-n2cccn2)c1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188185658 1431858322 /nfs/dbraw/zinc/85/83/22/1431858322.db2.gz QKKBEXHGRVRWPO-UHFFFAOYSA-N 0 1 384.852 3.302 20 0 GGADMN CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000188190335 1431858533 /nfs/dbraw/zinc/85/85/33/1431858533.db2.gz IPXDUKFSYVKVAM-INIZCTEOSA-N 0 1 394.943 3.431 20 0 GGADMN COCCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000188196760 1431859413 /nfs/dbraw/zinc/85/94/13/1431859413.db2.gz UTNNTQXJVMOAEV-IBGZPJMESA-N 0 1 398.503 3.115 20 0 GGADMN O=C(NCc1nncn1-c1ccccc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188213038 1431861220 /nfs/dbraw/zinc/86/12/20/1431861220.db2.gz LFGAFECODHXUOE-UHFFFAOYSA-N 0 1 384.852 3.302 20 0 GGADMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cnns1 ZINC000188229198 1431863607 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GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1ccc(I)cc1 ZINC000188288786 1431870071 /nfs/dbraw/zinc/87/00/71/1431870071.db2.gz DRWWSNCDZNXBPF-UHFFFAOYSA-N 0 1 381.217 3.074 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCc1ccc(COCC(F)(F)F)cc1 ZINC000188293518 1431870188 /nfs/dbraw/zinc/87/01/88/1431870188.db2.gz RFRNPSDCMDWIJA-UHFFFAOYSA-N 0 1 381.398 3.226 20 0 GGADMN O=C(Cc1[nH]nc2c1CCCC2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000188310475 1431871944 /nfs/dbraw/zinc/87/19/44/1431871944.db2.gz RJZHPNNLEQAVJG-UHFFFAOYSA-N 0 1 388.515 3.329 20 0 GGADMN CCNC(=O)c1cccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000188316127 1431872454 /nfs/dbraw/zinc/87/24/54/1431872454.db2.gz HKKDUPUINWQJNS-UHFFFAOYSA-N 0 1 388.880 3.471 20 0 GGADMN COc1cc(CNC(=O)Cc2n[nH]c3c2CCCC3)ccc1OCC(F)(F)F ZINC000188323863 1431873347 /nfs/dbraw/zinc/87/33/47/1431873347.db2.gz YIPUYNNLUIZDAB-UHFFFAOYSA-N 0 1 397.397 3.097 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1[nH]nc2c1CCCC2 ZINC000188338385 1431874719 /nfs/dbraw/zinc/87/47/19/1431874719.db2.gz NTRZIQHVOUZWFZ-UHFFFAOYSA-N 0 1 384.549 3.327 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1nnc2ccccc2c1O ZINC000188343123 1431875250 /nfs/dbraw/zinc/87/52/50/1431875250.db2.gz GILSZCFSCFGAFV-GFCCVEGCSA-N 0 1 399.834 3.244 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC000188347678 1431875644 /nfs/dbraw/zinc/87/56/44/1431875644.db2.gz ZGJPXXYQTCLGRG-HNNXBMFYSA-N 0 1 386.927 3.436 20 0 GGADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188360713 1431876892 /nfs/dbraw/zinc/87/68/92/1431876892.db2.gz UZHQCSCXONSOTP-LBPRGKRZSA-N 0 1 376.298 3.341 20 0 GGADMN Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccnc(N3CCN(C)CC3)c2)s1 ZINC000188362062 1431876900 /nfs/dbraw/zinc/87/69/00/1431876900.db2.gz AHRUFTQBALUJSW-UHFFFAOYSA-N 0 1 395.532 3.128 20 0 GGADMN CN1CCN(c2cc(CNC(=O)CCCCCc3ccc(F)cc3)ccn2)CC1 ZINC000188362760 1431877159 /nfs/dbraw/zinc/87/71/59/1431877159.db2.gz QTHZOFGLSQLFDC-UHFFFAOYSA-N 0 1 398.526 3.392 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000188362071 1431877204 /nfs/dbraw/zinc/87/72/04/1431877204.db2.gz NFUXENUGXCFOAR-UXHICEINSA-N 0 1 393.466 3.200 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188370588 1431878006 /nfs/dbraw/zinc/87/80/06/1431878006.db2.gz QLRRWHAFFYXCPN-YLJYHZDGSA-N 0 1 394.519 3.380 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188377835 1431878884 /nfs/dbraw/zinc/87/88/84/1431878884.db2.gz QWURMPYOPIZDFQ-AEFFLSMTSA-N 0 1 377.529 3.023 20 0 GGADMN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000188378955 1431879051 /nfs/dbraw/zinc/87/90/51/1431879051.db2.gz VETXMEZHVSKXQF-UHFFFAOYSA-N 0 1 389.521 3.183 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188382093 1431879477 /nfs/dbraw/zinc/87/94/77/1431879477.db2.gz PPZGSFFUXOKHOQ-LBPRGKRZSA-N 0 1 392.912 3.170 20 0 GGADMN O=C(NCCN1CCCCC1)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000188388077 1431879928 /nfs/dbraw/zinc/87/99/28/1431879928.db2.gz HDSJWAKHPFFCDY-UHFFFAOYSA-N 0 1 393.915 3.202 20 0 GGADMN O=C(NCc1ccc(COC2CCOCC2)cc1)c1[nH]nc2c1CCCCC2 ZINC000188416511 1431882387 /nfs/dbraw/zinc/88/23/87/1431882387.db2.gz FRYYWOPQHSBNNP-UHFFFAOYSA-N 0 1 383.492 3.304 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2C(F)(F)F)CC1 ZINC000188423380 1431882985 /nfs/dbraw/zinc/88/29/85/1431882985.db2.gz KQNYTDLHMBDANE-CYBMUJFWSA-N 0 1 378.398 3.451 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188423520 1431882997 /nfs/dbraw/zinc/88/29/97/1431882997.db2.gz HBKVYRPRFPTKBL-NSHDSACASA-N 0 1 394.288 3.480 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000188439691 1431884141 /nfs/dbraw/zinc/88/41/41/1431884141.db2.gz FBOOJPQTMHWTHR-LBPRGKRZSA-N 0 1 376.863 3.019 20 0 GGADMN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1[nH]nc2c1CNCC2 ZINC000188445172 1431884677 /nfs/dbraw/zinc/88/46/77/1431884677.db2.gz PWYODLCLHNPPNJ-UHFFFAOYSA-N 0 1 392.425 3.316 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000188447286 1431884887 /nfs/dbraw/zinc/88/48/87/1431884887.db2.gz CVCAAAYNXYDGAJ-UHFFFAOYSA-N 0 1 378.476 3.159 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)[nH]n2)cc1C ZINC000188463844 1431886388 /nfs/dbraw/zinc/88/63/88/1431886388.db2.gz PMZIPKIGKXPKBB-UHFFFAOYSA-N 0 1 389.503 3.483 20 0 GGADMN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CN(CC)C1CC1 ZINC000188467859 1431886832 /nfs/dbraw/zinc/88/68/32/1431886832.db2.gz HKTQFFNIECRPTK-UHFFFAOYSA-N 0 1 375.513 3.123 20 0 GGADMN Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000188476993 1431887504 /nfs/dbraw/zinc/88/75/04/1431887504.db2.gz YIRMLOYJPRHZNJ-UHFFFAOYSA-N 0 1 387.403 3.303 20 0 GGADMN Cc1c(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cnn1-c1ccccc1 ZINC000188481927 1431887982 /nfs/dbraw/zinc/88/79/82/1431887982.db2.gz OPVUNBYTIZMHEG-UHFFFAOYSA-N 0 1 391.456 3.439 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(Br)n1)c1cccc(F)c1 ZINC000188485294 1431888345 /nfs/dbraw/zinc/88/83/45/1431888345.db2.gz MVUORBZBMBKFPF-CYBMUJFWSA-N 0 1 381.249 3.408 20 0 GGADMN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188500964 1431889360 /nfs/dbraw/zinc/88/93/60/1431889360.db2.gz WTZIWIYGTRGTPY-UHFFFAOYSA-N 0 1 393.491 3.195 20 0 GGADMN O=C(N[C@H]1CCC[C@@H]1CCO)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000188527780 1431892127 /nfs/dbraw/zinc/89/21/27/1431892127.db2.gz NLWAGSYLZPDLCW-KNQAVFIVSA-N 0 1 381.520 3.218 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188538032 1431893106 /nfs/dbraw/zinc/89/31/06/1431893106.db2.gz JXHNEJXATPQAFI-GFCCVEGCSA-N 0 1 381.505 3.287 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188538058 1431893125 /nfs/dbraw/zinc/89/31/25/1431893125.db2.gz JXHNEJXATPQAFI-LBPRGKRZSA-N 0 1 381.505 3.287 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C(=O)NCc1ccccc1 ZINC000188577129 1431896666 /nfs/dbraw/zinc/89/66/66/1431896666.db2.gz RBOFCNZNTJIVSO-LLVKDONJSA-N 0 1 388.880 3.226 20 0 GGADMN O=C(N1CCC(CCCN2CCOCC2)CC1)C1(Cc2ccccc2F)CC1 ZINC000188577281 1431896812 /nfs/dbraw/zinc/89/68/12/1431896812.db2.gz JAAMYBCKDSVQOL-UHFFFAOYSA-N 0 1 388.527 3.499 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)N1CCCC1 ZINC000188582631 1431897336 /nfs/dbraw/zinc/89/73/36/1431897336.db2.gz XFTWLMVTUXQSRD-HXUWFJFHSA-N 0 1 391.471 3.104 20 0 GGADMN O=C(NCCNC(=O)c1ccc(F)cc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188585228 1431897501 /nfs/dbraw/zinc/89/75/01/1431897501.db2.gz VCLWLUAPAZPHJT-UHFFFAOYSA-N 0 1 392.843 3.091 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000188586394 1431897731 /nfs/dbraw/zinc/89/77/31/1431897731.db2.gz FNWRBNHVSPXAHS-INIZCTEOSA-N 0 1 399.457 3.268 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc(Cl)cc1F ZINC000188590128 1431898113 /nfs/dbraw/zinc/89/81/13/1431898113.db2.gz ONULXJLKOZIGJT-UHFFFAOYSA-N 0 1 391.855 3.184 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3CC(=O)c3ccco3)n[nH]2)cc1C ZINC000188594784 1431898552 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C[C@@H]1CN(C(=O)c2cccnc2Sc2ccccc2)CCN1CC(C)(C)O ZINC000188647015 1431917351 /nfs/dbraw/zinc/91/73/51/1431917351.db2.gz CXQXFEKRZCKODY-MRXNPFEDSA-N 0 1 385.533 3.150 20 0 GGADMN C[C@H]1CN(C(=O)c2cccnc2Sc2ccccc2)CCN1CC(C)(C)O ZINC000188647042 1431917800 /nfs/dbraw/zinc/91/78/00/1431917800.db2.gz CXQXFEKRZCKODY-INIZCTEOSA-N 0 1 385.533 3.150 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000188653745 1431919387 /nfs/dbraw/zinc/91/93/87/1431919387.db2.gz UZMROVYXBXERDA-UHFFFAOYSA-N 0 1 392.519 3.440 20 0 GGADMN C[C@H]1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCN1CC(C)(C)O ZINC000188655412 1431920317 /nfs/dbraw/zinc/92/03/17/1431920317.db2.gz OFEBXXMYDFJSKR-SFHVURJKSA-N 0 1 388.552 3.244 20 0 GGADMN COc1cccc(Nc2ccccc2C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188656076 1431921110 /nfs/dbraw/zinc/92/11/10/1431921110.db2.gz ATAWLUQPHHIKGE-KRWDZBQOSA-N 0 1 397.519 3.356 20 0 GGADMN COc1ccc2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000188658796 1431922189 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/nfs/dbraw/zinc/19/41/11/1432194111.db2.gz DXGKWHJNWYZHPZ-KRWDZBQOSA-N 0 1 389.544 3.258 20 0 GGADMN CC[C@]1(CO)CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000189663125 1432195511 /nfs/dbraw/zinc/19/55/11/1432195511.db2.gz AZGPQCXWGYJRPX-JOCHJYFZSA-N 0 1 381.476 3.114 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000189664721 1432196662 /nfs/dbraw/zinc/19/66/62/1432196662.db2.gz FNUPYUFBTKVGCZ-QFIPXVFZSA-N 0 1 399.466 3.253 20 0 GGADMN Cc1ccc(-n2cc(NC(=O)NNC(=O)c3ccc(O)c(Cl)c3)cn2)c(C)c1 ZINC000189676613 1432200690 /nfs/dbraw/zinc/20/06/90/1432200690.db2.gz HWJGADKACCAKMK-UHFFFAOYSA-N 0 1 399.838 3.315 20 0 GGADMN COCCO[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000189707269 1432210217 /nfs/dbraw/zinc/21/02/17/1432210217.db2.gz LGFGRZJEEGAPTE-LEWJYISDSA-N 0 1 388.552 3.385 20 0 GGADMN CC[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)CCN1Cc1ccccc1 ZINC000189711254 1432211513 /nfs/dbraw/zinc/21/15/13/1432211513.db2.gz YPUOHGGDNNYKHT-GOSISDBHSA-N 0 1 375.472 3.265 20 0 GGADMN CCCOc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(C)c1 ZINC000189716889 1432212762 /nfs/dbraw/zinc/21/27/62/1432212762.db2.gz XIEWMSDSSVQBKC-UHFFFAOYSA-N 0 1 398.507 3.266 20 0 GGADMN CCOC[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC)C(C)C ZINC000189716526 1432213037 /nfs/dbraw/zinc/21/30/37/1432213037.db2.gz UQXBYTFZAZAZKF-IBGZPJMESA-N 0 1 392.544 3.020 20 0 GGADMN Cc1ccc(C[C@@H](CO)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000189721062 1432213909 /nfs/dbraw/zinc/21/39/09/1432213909.db2.gz YAWYCGOKLDQWER-VQTJNVASSA-N 0 1 385.508 3.018 20 0 GGADMN Cc1cccc(C[C@@H](CO)NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000189721188 1432214921 /nfs/dbraw/zinc/21/49/21/1432214921.db2.gz PKGHNPFONSYOIJ-PMACEKPBSA-N 0 1 385.508 3.018 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000189725757 1432215975 /nfs/dbraw/zinc/21/59/75/1432215975.db2.gz YGBFGCZAQLRVQV-NFBKMPQASA-N 0 1 382.504 3.290 20 0 GGADMN COc1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000189731666 1432217444 /nfs/dbraw/zinc/21/74/44/1432217444.db2.gz KULCXEGATZHWCO-GOSISDBHSA-N 0 1 390.430 3.263 20 0 GGADMN COC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000189739086 1432220226 /nfs/dbraw/zinc/22/02/26/1432220226.db2.gz VEMGGSYXJIZEAO-PMACEKPBSA-N 0 1 385.508 3.316 20 0 GGADMN COCCO[C@@H]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000189740623 1432220307 /nfs/dbraw/zinc/22/03/07/1432220307.db2.gz KOOOTXCFBFFCQW-OAQYLSRUSA-N 0 1 392.515 3.224 20 0 GGADMN CCOC[C@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)C(C)C ZINC000189752387 1432223558 /nfs/dbraw/zinc/22/35/58/1432223558.db2.gz UHUFGCIXLVDKQW-OALUTQOASA-N 0 1 377.529 3.192 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189758479 1432225892 /nfs/dbraw/zinc/22/58/92/1432225892.db2.gz DHYPMPUGTUGBQC-OAQYLSRUSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)CC1(O)CCOCC1 ZINC000189769178 1432230137 /nfs/dbraw/zinc/23/01/37/1432230137.db2.gz WHYBJEJQUSJMHT-KRWDZBQOSA-N 0 1 384.476 3.279 20 0 GGADMN CN(CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)CC1(O)CCOCC1 ZINC000189776909 1432232523 /nfs/dbraw/zinc/23/25/23/1432232523.db2.gz UBSHTRKUZSLXCS-HXUWFJFHSA-N 0 1 388.552 3.121 20 0 GGADMN C[C@@H](Oc1ccccc1NC(=O)C(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000189779057 1432233077 /nfs/dbraw/zinc/23/30/77/1432233077.db2.gz RDJGTDRYBDGKDL-QGZVFWFLSA-N 0 1 393.487 3.072 20 0 GGADMN C[C@H](Oc1ccccc1NC(=O)C(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000189779033 1432233091 /nfs/dbraw/zinc/23/30/91/1432233091.db2.gz RDJGTDRYBDGKDL-KRWDZBQOSA-N 0 1 393.487 3.072 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)CC1(O)CCOCC1 ZINC000189779899 1432233356 /nfs/dbraw/zinc/23/33/56/1432233356.db2.gz SUYOZTSNQUGRQU-SFHVURJKSA-N 0 1 398.503 3.066 20 0 GGADMN O=C(Nc1ccccc1Sc1ccccc1)C(=O)N1CCN2CCC1CC2 ZINC000189784753 1432234229 /nfs/dbraw/zinc/23/42/29/1432234229.db2.gz GPGNQKNZOVGHHK-UHFFFAOYSA-N 0 1 381.501 3.083 20 0 GGADMN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)c(C)c1 ZINC000189785718 1432234315 /nfs/dbraw/zinc/23/43/15/1432234315.db2.gz UAKMKJMCQREGMI-HNNXBMFYSA-N 0 1 375.538 3.131 20 0 GGADMN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)c(C)c1 ZINC000189785701 1432234401 /nfs/dbraw/zinc/23/44/01/1432234401.db2.gz UAKMKJMCQREGMI-OAHLLOKOSA-N 0 1 375.538 3.131 20 0 GGADMN CN(CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)CC1(O)CCOCC1 ZINC000189786559 1432234828 /nfs/dbraw/zinc/23/48/28/1432234828.db2.gz WPABXPJBYPJJJF-UHFFFAOYSA-N 0 1 378.472 3.491 20 0 GGADMN C[C@@H](Nc1ccc(CCN2CCOCC2)cc1)c1nnnn1C1CCCCC1 ZINC000189787220 1432235210 /nfs/dbraw/zinc/23/52/10/1432235210.db2.gz OASJGMXJNUONRI-QGZVFWFLSA-N 0 1 384.528 3.226 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000189794775 1432237085 /nfs/dbraw/zinc/23/70/85/1432237085.db2.gz YWXGGODFPFVCNQ-QGZVFWFLSA-N 0 1 390.491 3.144 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000189795537 1432237810 /nfs/dbraw/zinc/23/78/10/1432237810.db2.gz UVMGDDSDCMQRBP-QGZVFWFLSA-N 0 1 382.443 3.139 20 0 GGADMN Cc1n[nH]c(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000189800081 1432239117 /nfs/dbraw/zinc/23/91/17/1432239117.db2.gz VNKRNGXAKFYGIB-UHFFFAOYSA-N 0 1 383.496 3.022 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000189810143 1432241476 /nfs/dbraw/zinc/24/14/76/1432241476.db2.gz RIWBAPRBXJBWGY-ZDUSSCGKSA-N 0 1 396.628 3.335 20 0 GGADMN CCO[C@H]1C[C@](O)(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000189812255 1432242101 /nfs/dbraw/zinc/24/21/01/1432242101.db2.gz ZCHZZWPLFOYZLI-UGSOOPFHSA-N 0 1 382.411 3.188 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000189811706 1432242156 /nfs/dbraw/zinc/24/21/56/1432242156.db2.gz ZNSXEBLKHFMTQA-INIZCTEOSA-N 0 1 380.452 3.127 20 0 GGADMN C[C@H](O)CN1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000189858790 1432255195 /nfs/dbraw/zinc/25/51/95/1432255195.db2.gz CADHOJMGRAWHKM-SFHVURJKSA-N 0 1 396.560 3.158 20 0 GGADMN COc1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1C#N ZINC000189864197 1432257006 /nfs/dbraw/zinc/25/70/06/1432257006.db2.gz IHKRPKRBWTYPIR-LJQANCHMSA-N 0 1 385.414 3.126 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189866875 1432257533 /nfs/dbraw/zinc/25/75/33/1432257533.db2.gz QSJUBUUKFXNDLX-LJQANCHMSA-N 0 1 390.478 3.104 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@]2(CC)CO)CC1 ZINC000189884412 1432262907 /nfs/dbraw/zinc/26/29/07/1432262907.db2.gz WISBYWVKLPIEAG-HXUWFJFHSA-N 0 1 394.947 3.251 20 0 GGADMN CC(C)(O)CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C1CC1 ZINC000189891452 1432264949 /nfs/dbraw/zinc/26/49/49/1432264949.db2.gz TUBXFCNXTQGOEH-MRXNPFEDSA-N 0 1 387.505 3.254 20 0 GGADMN COC[C@@H](C)n1ccc(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000189905924 1432268779 /nfs/dbraw/zinc/26/87/79/1432268779.db2.gz OGFGAKXGECKQHC-QGZVFWFLSA-N 0 1 385.512 3.219 20 0 GGADMN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189907461 1432269553 /nfs/dbraw/zinc/26/95/53/1432269553.db2.gz VVKIWKBOUGBDOJ-KURKYZTESA-N 0 1 375.557 3.304 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189907445 1432269667 /nfs/dbraw/zinc/26/96/67/1432269667.db2.gz VVKIWKBOUGBDOJ-RCCFBDPRSA-N 0 1 375.557 3.304 20 0 GGADMN CO[C@@H](C)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000189909060 1432270125 /nfs/dbraw/zinc/27/01/25/1432270125.db2.gz QCFPGRVOBXBOIT-INIZCTEOSA-N 0 1 376.501 3.048 20 0 GGADMN CO[C@H](C)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000189909077 1432270155 /nfs/dbraw/zinc/27/01/55/1432270155.db2.gz QCFPGRVOBXBOIT-MRXNPFEDSA-N 0 1 376.501 3.048 20 0 GGADMN COc1ccc(-c2nc(CN3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cs2)cc1 ZINC000189910895 1432271048 /nfs/dbraw/zinc/27/10/48/1432271048.db2.gz SMMAJXWXRRAEBS-OAHLLOKOSA-N 0 1 375.538 3.096 20 0 GGADMN CC(C)(O)CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000189922241 1432274781 /nfs/dbraw/zinc/27/47/81/1432274781.db2.gz ZDZMFDRROIBSMC-NRFANRHFSA-N 0 1 384.545 3.458 20 0 GGADMN C[C@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)CCN1CC(C)(C)O ZINC000189922377 1432274910 /nfs/dbraw/zinc/27/49/10/1432274910.db2.gz NWPCZKTUAFWTKK-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN CC(C)(O)CN(CC(=O)NCc1ccc(COc2ccccc2)cc1)C1CC1 ZINC000189922382 1432275021 /nfs/dbraw/zinc/27/50/21/1432275021.db2.gz UPNHJAISWDHOSD-UHFFFAOYSA-N 0 1 382.504 3.117 20 0 GGADMN CC(C)(O)CN(CC(=O)NCc1ccccc1COc1ccccc1)C1CC1 ZINC000189924449 1432275734 /nfs/dbraw/zinc/27/57/34/1432275734.db2.gz KARGUCNNUFYSCZ-UHFFFAOYSA-N 0 1 382.504 3.117 20 0 GGADMN Cc1ccc(CNC(=O)c2[nH]nc3c2CCCCC3)c(-n2cc(Cl)cn2)n1 ZINC000189928758 1432277603 /nfs/dbraw/zinc/27/76/03/1432277603.db2.gz SSLLGTMBDSBINN-UHFFFAOYSA-N 0 1 384.871 3.151 20 0 GGADMN COCN1C(=O)CCc2cc(NC(=O)c3cc(-c4ccccc4)n[nH]3)ccc21 ZINC000189931743 1432278486 /nfs/dbraw/zinc/27/84/86/1432278486.db2.gz JKQLBDJKGYFBIY-UHFFFAOYSA-N 0 1 376.416 3.212 20 0 GGADMN CN(CCNC(=O)NCc1ccc(Br)o1)Cc1ccc(F)cc1 ZINC000189940111 1432281892 /nfs/dbraw/zinc/28/18/92/1432281892.db2.gz YBIMGEHDMLDMHM-UHFFFAOYSA-N 0 1 384.249 3.112 20 0 GGADMN N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1O ZINC000189944933 1432283943 /nfs/dbraw/zinc/28/39/43/1432283943.db2.gz GIZMLRSXEFQNPN-UHFFFAOYSA-N 0 1 385.423 3.489 20 0 GGADMN C[C@@](O)(CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000189944601 1432284272 /nfs/dbraw/zinc/28/42/72/1432284272.db2.gz KMPMEPFLRWOXSL-DENIHFKCSA-N 0 1 385.508 3.404 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(CC(C)(C)O)C2CC2)N2CCCCC2)cc1 ZINC000189948472 1432285889 /nfs/dbraw/zinc/28/58/89/1432285889.db2.gz DCYRXAUKWOMUQE-FQEVSTJZSA-N 0 1 389.540 3.167 20 0 GGADMN CCSc1cc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)ccn1 ZINC000189947737 1432286412 /nfs/dbraw/zinc/28/64/12/1432286412.db2.gz KELBMADIZIUULP-UHFFFAOYSA-N 0 1 392.569 3.028 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2CCO)N2CCCCC2)cc1 ZINC000189948538 1432286435 /nfs/dbraw/zinc/28/64/35/1432286435.db2.gz NFALZDFXNDNJGY-UIFIKXQLSA-N 0 1 389.540 3.073 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2ccccc2SC(F)F)C1(C)C ZINC000189966783 1432291990 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GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000190048272 1432310994 /nfs/dbraw/zinc/31/09/94/1432310994.db2.gz XMVIQVRWISMVEY-NSHDSACASA-N 0 1 391.846 3.250 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCN1CC(C)(C)O ZINC000190048221 1432311055 /nfs/dbraw/zinc/31/10/55/1432311055.db2.gz NFCTUPADRZXPDV-NSHDSACASA-N 0 1 391.846 3.250 20 0 GGADMN CCOC(=O)c1c(C)oc2nc(CN[C@@H]3CCCC[C@@H]3SCC)nc(N)c21 ZINC000190066425 1432313769 /nfs/dbraw/zinc/31/37/69/1432313769.db2.gz CVUAQEKEPSOCPS-OLZOCXBDSA-N 0 1 392.525 3.444 20 0 GGADMN O=C(N[C@@H]1CCC[C@H]1CCO)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000190069365 1432314004 /nfs/dbraw/zinc/31/40/04/1432314004.db2.gz FBNRPVDYUXCNRS-QFBILLFUSA-N 0 1 379.932 3.155 20 0 GGADMN O=C(N[C@H]1CCC[C@H]1CCO)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000190069383 1432314017 /nfs/dbraw/zinc/31/40/17/1432314017.db2.gz FBNRPVDYUXCNRS-LPHOPBHVSA-N 0 1 379.932 3.155 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CCN1CC(C)(C)O ZINC000190085517 1432317286 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C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190134063 1432325935 /nfs/dbraw/zinc/32/59/35/1432325935.db2.gz ITLWHSNIWWIBTE-CYBMUJFWSA-N 0 1 381.480 3.454 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCOC[C@H]1c1nc(C)cs1)c1ccco1 ZINC000190134705 1432326014 /nfs/dbraw/zinc/32/60/14/1432326014.db2.gz RFZWXABPBNFXCB-HOTGVXAUSA-N 0 1 392.525 3.211 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000190140366 1432326945 /nfs/dbraw/zinc/32/69/45/1432326945.db2.gz UYQQCJSAOCTECF-CQSZACIVSA-N 0 1 383.920 3.438 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000190140300 1432327043 /nfs/dbraw/zinc/32/70/43/1432327043.db2.gz FNUZCHIRRCDYJR-CQSZACIVSA-N 0 1 383.920 3.438 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000190140345 1432327058 /nfs/dbraw/zinc/32/70/58/1432327058.db2.gz UYQQCJSAOCTECF-AWEZNQCLSA-N 0 1 383.920 3.438 20 0 GGADMN Cc1ccc(C(=O)NCC2CC2)cc1NS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000190146859 1432327952 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GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)[nH]n1 ZINC000190282840 1432352829 /nfs/dbraw/zinc/35/28/29/1432352829.db2.gz OQTYLIQRWUSTBE-UHFFFAOYSA-N 0 1 389.463 3.482 20 0 GGADMN CCc1noc(-c2ccc(CCNC(=O)c3[nH]nc4c3CCCCC4)cc2)n1 ZINC000190282800 1432352871 /nfs/dbraw/zinc/35/28/71/1432352871.db2.gz WGQKLLHKUANLPP-UHFFFAOYSA-N 0 1 379.464 3.264 20 0 GGADMN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCCC2(CCCCC2)CC1 ZINC000190319513 1432360552 /nfs/dbraw/zinc/36/05/52/1432360552.db2.gz TVHXTBUVXSVPGG-UHFFFAOYSA-N 0 1 393.553 3.017 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)c1cccc(C(F)(F)F)c1 ZINC000190328108 1432362398 /nfs/dbraw/zinc/36/23/98/1432362398.db2.gz QFBWLSJTDKPCLD-OAHLLOKOSA-N 0 1 383.418 3.085 20 0 GGADMN O=C(NCCc1ccc(F)c(F)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000190336127 1432363854 /nfs/dbraw/zinc/36/38/54/1432363854.db2.gz OJKUKNXMDWEYCF-UHFFFAOYSA-N 0 1 395.494 3.041 20 0 GGADMN COc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(OC(F)F)c1 ZINC000190345908 1432365247 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20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000190401950 1432374488 /nfs/dbraw/zinc/37/44/88/1432374488.db2.gz GMKLGKOPLDIQNU-NRFANRHFSA-N 0 1 386.540 3.170 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCSCC[C@H]2C)N2CCCC2)cc1 ZINC000190404301 1432374756 /nfs/dbraw/zinc/37/47/56/1432374756.db2.gz SWCABCRPQGJZGS-APWZRJJASA-N 0 1 377.554 3.369 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCSCC[C@@H]2C)N2CCCC2)cc1 ZINC000190404316 1432374811 /nfs/dbraw/zinc/37/48/11/1432374811.db2.gz SWCABCRPQGJZGS-LPHOPBHVSA-N 0 1 377.554 3.369 20 0 GGADMN COc1ccccc1-c1csc(C2CCN(C(=O)Cc3ccn[nH]3)CC2)n1 ZINC000190426403 1432379856 /nfs/dbraw/zinc/37/98/56/1432379856.db2.gz LMDDBXKMWZJPED-UHFFFAOYSA-N 0 1 382.489 3.491 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000190429965 1432380543 /nfs/dbraw/zinc/38/05/43/1432380543.db2.gz OLBVMBJHIZFLPY-UHFFFAOYSA-N 0 1 390.846 3.026 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CCSC[C@H](C)C2)c1 ZINC000190434412 1432381530 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3.408 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC000191299560 1432624769 /nfs/dbraw/zinc/62/47/69/1432624769.db2.gz UKGDGLPMLWUYGG-HOCLYGCPSA-N 0 1 380.400 3.015 20 0 GGADMN COCCN(C)c1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000191308641 1432627751 /nfs/dbraw/zinc/62/77/51/1432627751.db2.gz QHCWHZFATLXLJE-LJQANCHMSA-N 0 1 383.492 3.273 20 0 GGADMN C[C@](O)(CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000191315578 1432629421 /nfs/dbraw/zinc/62/94/21/1432629421.db2.gz RDHBBKZGLZDTLZ-QFIPXVFZSA-N 0 1 391.531 3.421 20 0 GGADMN O=C1[C@H](N(CCc2ccccc2)Cc2cccnc2)CCN1CC(F)(F)F ZINC000191344205 1432637840 /nfs/dbraw/zinc/63/78/40/1432637840.db2.gz AVUQGGYBWASNSO-GOSISDBHSA-N 0 1 377.410 3.290 20 0 GGADMN CCc1c(NC(=O)N[C@H](C)c2nnc[nH]2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000191359916 1432640935 /nfs/dbraw/zinc/64/09/35/1432640935.db2.gz PQNCLPDUCCWHMO-SNVBAGLBSA-N 0 1 393.373 3.454 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cnn(C(C)(C)C)c3C)C2=O)cc1 ZINC000191367357 1432642933 /nfs/dbraw/zinc/64/29/33/1432642933.db2.gz XCDMBXPGGCDCQC-MGPUTAFESA-N 0 1 384.524 3.407 20 0 GGADMN CO[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000191373092 1432644487 /nfs/dbraw/zinc/64/44/87/1432644487.db2.gz UXRMANWCONGNCR-ZWKOTPCHSA-N 0 1 379.932 3.419 20 0 GGADMN CCC1(CC)[C@H](NCc2nc3cc(S(=O)(=O)CC)ccc3o2)C[C@@H]1OC ZINC000191375278 1432645195 /nfs/dbraw/zinc/64/51/95/1432645195.db2.gz NFYDOGDOKKMOFG-SJORKVTESA-N 0 1 380.510 3.305 20 0 GGADMN CCC1(CC)[C@H](NCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)C[C@@H]1OC ZINC000191377463 1432645572 /nfs/dbraw/zinc/64/55/72/1432645572.db2.gz AZHWKPHMWVNOPU-CVEARBPZSA-N 0 1 390.553 3.204 20 0 GGADMN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000191381337 1432647010 /nfs/dbraw/zinc/64/70/10/1432647010.db2.gz CQOWZVAMZRGSJU-XKQJLSEDSA-N 0 1 386.414 3.406 20 0 GGADMN O=C(CN1CCN(Cc2c(O)ccc(Cl)c2F)CC1)Nc1ccccc1F ZINC000191451946 1432664365 /nfs/dbraw/zinc/66/43/65/1432664365.db2.gz YWPUDPMCWKYWTG-UHFFFAOYSA-N 0 1 395.837 3.080 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@]3(CO)CC(C)C)n2)cc1 ZINC000191478564 1432668538 /nfs/dbraw/zinc/66/85/38/1432668538.db2.gz QXEVPZRNIRCFLB-HXUWFJFHSA-N 0 1 388.537 3.272 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@]3(CO)CC(C)C)n2)cc1 ZINC000191478580 1432668563 /nfs/dbraw/zinc/66/85/63/1432668563.db2.gz QXEVPZRNIRCFLB-FQEVSTJZSA-N 0 1 388.537 3.272 20 0 GGADMN COc1cc(CNC2(C(N)=O)CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000191487622 1432669914 /nfs/dbraw/zinc/66/99/14/1432669914.db2.gz ZJTDRSQLKWSOGY-UHFFFAOYSA-N 0 1 394.393 3.401 20 0 GGADMN COc1ccc2c(c1)[C@H](NCC(=O)N1CCN(c3ccccc3)CC1)CCS2 ZINC000191504913 1432674625 /nfs/dbraw/zinc/67/46/25/1432674625.db2.gz KZFSYOQHTGFOHD-HXUWFJFHSA-N 0 1 397.544 3.171 20 0 GGADMN CCOC(=O)[C@@H](NCc1cccc(Br)c1O)c1cccc(O)c1 ZINC000191521833 1432678065 /nfs/dbraw/zinc/67/80/65/1432678065.db2.gz WIJIPVGSDZZEOW-HNNXBMFYSA-N 0 1 380.238 3.254 20 0 GGADMN Cc1nc(NS(=O)(=O)C2=Cc3ccccc3OC2)ccc1Br ZINC000191544432 1432680705 /nfs/dbraw/zinc/68/07/05/1432680705.db2.gz OFPSZWKXSKOSJJ-UHFFFAOYSA-N 0 1 381.251 3.328 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CCOCC(F)F)c(C(F)(F)F)c2)CC1 ZINC000191547863 1432681082 /nfs/dbraw/zinc/68/10/82/1432681082.db2.gz BNVQVRAKOFUHFQ-UHFFFAOYSA-N 0 1 395.372 3.068 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC3CCN(C(=O)C(C)(C)C)CC3)n2)c1 ZINC000191562664 1432683718 /nfs/dbraw/zinc/68/37/18/1432683718.db2.gz WBWFCXIDLBWVGK-CQSZACIVSA-N 0 1 386.496 3.433 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC3CCN(C(=O)c4ccoc4)CC3)n2)c1 ZINC000191566223 1432684678 /nfs/dbraw/zinc/68/46/78/1432684678.db2.gz KBRVJESILISQBS-CQSZACIVSA-N 0 1 396.447 3.294 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1ccccc1OC(F)F)c1cccs1 ZINC000191569575 1432685349 /nfs/dbraw/zinc/68/53/49/1432685349.db2.gz NXVJWRUKEJZMIF-CQSZACIVSA-N 0 1 383.464 3.494 20 0 GGADMN COCCN(C)c1ccc(CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cn1 ZINC000191571106 1432685389 /nfs/dbraw/zinc/68/53/89/1432685389.db2.gz MHKBGZCXEYUELN-ZDUSSCGKSA-N 0 1 399.461 3.391 20 0 GGADMN CCc1c(NC(=O)N[C@@H](C)c2nnc[nH]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000191595306 1432689033 /nfs/dbraw/zinc/68/90/33/1432689033.db2.gz TWQAUUZGURBKNL-JTQLQIEISA-N 0 1 393.373 3.454 20 0 GGADMN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(c2ccncc2)CC1 ZINC000191627106 1432695749 /nfs/dbraw/zinc/69/57/49/1432695749.db2.gz ZDEMNDNKWCFULY-GOSISDBHSA-N 0 1 396.510 3.137 20 0 GGADMN COc1ccccc1-c1nc(C2CCN(Cc3cccc(C(N)=O)c3)CC2)no1 ZINC000191632131 1432696509 /nfs/dbraw/zinc/69/65/09/1432696509.db2.gz MEPCUWWJWFIEHC-UHFFFAOYSA-N 0 1 392.459 3.224 20 0 GGADMN C[C@@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nnnn1C1CC1 ZINC000191643987 1432699219 /nfs/dbraw/zinc/69/92/19/1432699219.db2.gz HDAGUVVBZZPWOO-MRXNPFEDSA-N 0 1 390.491 3.131 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN2CCC(c3ccncc3)CC2)cc1OC ZINC000191644449 1432699244 /nfs/dbraw/zinc/69/92/44/1432699244.db2.gz ZVIXZMZPKYFNGQ-KRWDZBQOSA-N 0 1 397.519 3.464 20 0 GGADMN CCc1c(NC(=O)N2CCN(C3CCOCC3)CC2)cnn1-c1ccccc1C ZINC000191646752 1432699552 /nfs/dbraw/zinc/69/95/52/1432699552.db2.gz MBMJIGHJSLNVFL-UHFFFAOYSA-N 0 1 397.523 3.072 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000191659510 1432701149 /nfs/dbraw/zinc/70/11/49/1432701149.db2.gz XULQTIRPVVPGFS-QGZVFWFLSA-N 0 1 383.418 3.054 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000191663409 1432701517 /nfs/dbraw/zinc/70/15/17/1432701517.db2.gz NXCJTFKCPBYCRY-OAQYLSRUSA-N 0 1 387.549 3.446 20 0 GGADMN CC(C)n1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000191661393 1432701877 /nfs/dbraw/zinc/70/18/77/1432701877.db2.gz MSDZBAXCRHAEED-QGZVFWFLSA-N 0 1 380.414 3.487 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000191667096 1432702316 /nfs/dbraw/zinc/70/23/16/1432702316.db2.gz AFHGENCOJXKGII-PZJWPPBQSA-N 0 1 387.549 3.222 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCS[C@H](C)CC2)N2CCCC2)cc1 ZINC000191673917 1432703342 /nfs/dbraw/zinc/70/33/42/1432703342.db2.gz LHNYHKFPDDNLNW-VQIMIIECSA-N 0 1 377.554 3.369 20 0 GGADMN Brc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000191688793 1432706917 /nfs/dbraw/zinc/70/69/17/1432706917.db2.gz LYPUACNEBFCAQO-APWZRJJASA-N 0 1 395.341 3.287 20 0 GGADMN Cc1cccc(CNC(=O)CSc2n[nH]c(=S)s2)c1Br ZINC000191729323 1432713457 /nfs/dbraw/zinc/71/34/57/1432713457.db2.gz BNXPIPZNCFNTDR-UHFFFAOYSA-N 0 1 390.353 3.306 20 0 GGADMN Cn1cc([C@H]2CSCCN2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000191751143 1432718391 /nfs/dbraw/zinc/71/83/91/1432718391.db2.gz OGNGQCCPJPEJHS-NVXWUHKLSA-N 0 1 380.558 3.157 20 0 GGADMN CCCOc1ccc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(C)c1 ZINC000191753295 1432718684 /nfs/dbraw/zinc/71/86/84/1432718684.db2.gz UQCXHURHGNTFSS-IBGZPJMESA-N 0 1 389.540 3.038 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cc(F)ccc1OCC1CC1)N1CCN(C)CC1 ZINC000191767499 1432721116 /nfs/dbraw/zinc/72/11/16/1432721116.db2.gz JNSAXOHBLHYBPP-LJQANCHMSA-N 0 1 392.519 3.008 20 0 GGADMN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000191768708 1432721411 /nfs/dbraw/zinc/72/14/11/1432721411.db2.gz OLUKQRPTTKAGOU-GDBMZVCRSA-N 0 1 381.904 3.456 20 0 GGADMN CN(CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191778906 1432723780 /nfs/dbraw/zinc/72/37/80/1432723780.db2.gz FOGKWBXULWQIQG-LJQANCHMSA-N 0 1 385.895 3.402 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)c[nH]c12 ZINC000191782435 1432724350 /nfs/dbraw/zinc/72/43/50/1432724350.db2.gz MKXYLPDOUCSFHF-UHFFFAOYSA-N 0 1 381.407 3.467 20 0 GGADMN CCOc1ccc(NC(=O)CCN(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000191780901 1432724413 /nfs/dbraw/zinc/72/44/13/1432724413.db2.gz XBYDMKTVPRMFMQ-OAQYLSRUSA-N 0 1 395.503 3.147 20 0 GGADMN CCOc1ccc(NC(=O)CCN(C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000191780919 1432724600 /nfs/dbraw/zinc/72/46/00/1432724600.db2.gz XBYDMKTVPRMFMQ-NRFANRHFSA-N 0 1 395.503 3.147 20 0 GGADMN CCOCc1cc(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1OC ZINC000191797430 1432727293 /nfs/dbraw/zinc/72/72/93/1432727293.db2.gz DNGZRWJLYIXKAR-NRFANRHFSA-N 0 1 382.504 3.431 20 0 GGADMN Cc1ccc(CN2CC[C@H](NCc3cnn(-c4ccc(F)cc4)c3)C2=O)cc1 ZINC000191811576 1432730856 /nfs/dbraw/zinc/73/08/56/1432730856.db2.gz HXQLRVFCUHKNKO-NRFANRHFSA-N 0 1 378.451 3.211 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)C1=Cc2ccccc2OC1 ZINC000191821729 1432732698 /nfs/dbraw/zinc/73/26/98/1432732698.db2.gz YBRNEDBPWZUEBI-UHFFFAOYSA-N 0 1 384.501 3.004 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)n[nH]2)cc1 ZINC000191830154 1432734468 /nfs/dbraw/zinc/73/44/68/1432734468.db2.gz SAGPKYNVGZGBOD-NRFANRHFSA-N 0 1 388.471 3.258 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)n[nH]2)cc1 ZINC000191830137 1432734520 /nfs/dbraw/zinc/73/45/20/1432734520.db2.gz SAGPKYNVGZGBOD-OAQYLSRUSA-N 0 1 388.471 3.258 20 0 GGADMN COc1ccc([C@H](C)N(C)CCN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000191865573 1432742891 /nfs/dbraw/zinc/74/28/91/1432742891.db2.gz RXGXWJVZBPRFKS-KRWDZBQOSA-N 0 1 376.522 3.150 20 0 GGADMN O=S(=O)(N[C@H](CN1CCCC1)c1ccccc1)C1=Cc2ccccc2OC1 ZINC000191870112 1432743679 /nfs/dbraw/zinc/74/36/79/1432743679.db2.gz CONLDHOHKUBUFP-HXUWFJFHSA-N 0 1 384.501 3.176 20 0 GGADMN COc1cccc(Cl)c1CNC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000191885157 1432746772 /nfs/dbraw/zinc/74/67/72/1432746772.db2.gz BCBCUWAYYRGIQE-UHFFFAOYSA-N 0 1 387.911 3.026 20 0 GGADMN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191903159 1432751800 /nfs/dbraw/zinc/75/18/00/1432751800.db2.gz LHMDTTZYAVWLQS-DOTOQJQBSA-N 0 1 381.480 3.403 20 0 GGADMN COc1ccc([C@@H]2CCCN2CCN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000191910941 1432753425 /nfs/dbraw/zinc/75/34/25/1432753425.db2.gz MWXVHJNLLCQSAQ-NRFANRHFSA-N 0 1 388.533 3.294 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000191933417 1432759034 /nfs/dbraw/zinc/75/90/34/1432759034.db2.gz MCPHQRAKPZHQCB-HKUYNNGSSA-N 0 1 379.508 3.137 20 0 GGADMN COc1ccc(Cl)c(CN2CCC(C(=O)NCCCOC(C)C)CC2)c1 ZINC000191938642 1432760918 /nfs/dbraw/zinc/76/09/18/1432760918.db2.gz NISGHYOGLPQYAO-UHFFFAOYSA-N 0 1 382.932 3.492 20 0 GGADMN CN1CCC(N(c2ccccc2)S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000191945340 1432762646 /nfs/dbraw/zinc/76/26/46/1432762646.db2.gz YLIQJEUQMPCYFC-UHFFFAOYSA-N 0 1 384.501 3.351 20 0 GGADMN COCN1C(=O)CCc2cc(NC3CCN(Cc4ccccn4)CC3)ccc21 ZINC000191954639 1432766350 /nfs/dbraw/zinc/76/63/50/1432766350.db2.gz JPLGWZLADPRCLR-UHFFFAOYSA-N 0 1 380.492 3.041 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc(-n3cccn3)cc2)[nH]1 ZINC000191962833 1432768907 /nfs/dbraw/zinc/76/89/07/1432768907.db2.gz PGEFARPJIMWGBC-UHFFFAOYSA-N 0 1 395.463 3.296 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(Br)n2)[nH]1 ZINC000191965265 1432769094 /nfs/dbraw/zinc/76/90/94/1432769094.db2.gz NNHJEVCQEBWBLG-UHFFFAOYSA-N 0 1 395.257 3.339 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)[nH]1 ZINC000191964819 1432769378 /nfs/dbraw/zinc/76/93/78/1432769378.db2.gz VVQGVXMLBRASPB-GFCCVEGCSA-N 0 1 389.500 3.097 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)N[C@H](c1nccs1)c1ccccc1 ZINC000191969540 1432770534 /nfs/dbraw/zinc/77/05/34/1432770534.db2.gz NTJRHBLYNCXDOR-GIVPXCGWSA-N 0 1 393.512 3.469 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cn(C(C)C)cn2)CC1 ZINC000191977330 1432773525 /nfs/dbraw/zinc/77/35/25/1432773525.db2.gz KSQAWMAWBKLBPI-UHFFFAOYSA-N 0 1 376.526 3.144 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCSC[C@H](C)C2)N2CCCC2)cc1 ZINC000191981548 1432774144 /nfs/dbraw/zinc/77/41/44/1432774144.db2.gz FMHNWRJPSGXVBS-VQIMIIECSA-N 0 1 377.554 3.227 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000191988523 1432775352 /nfs/dbraw/zinc/77/53/52/1432775352.db2.gz AXNSCIKLTRIIKV-OLZOCXBDSA-N 0 1 395.912 3.371 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000191988471 1432775387 /nfs/dbraw/zinc/77/53/87/1432775387.db2.gz BLYYLGAGUFTOST-OLZOCXBDSA-N 0 1 395.912 3.371 20 0 GGADMN COc1ccccc1[C@@H]1CCCN1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000191988239 1432775571 /nfs/dbraw/zinc/77/55/71/1432775571.db2.gz HVKYRPMZLHEIFP-FQEVSTJZSA-N 0 1 388.533 3.294 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000191991377 1432775807 /nfs/dbraw/zinc/77/58/07/1432775807.db2.gz DBOQAQSNFZKYDJ-MRXNPFEDSA-N 0 1 375.513 3.008 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000191993881 1432776222 /nfs/dbraw/zinc/77/62/22/1432776222.db2.gz WSCVVTJDKDTALI-OAHLLOKOSA-N 0 1 395.931 3.155 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000191995902 1432776799 /nfs/dbraw/zinc/77/67/99/1432776799.db2.gz XNRRAUSQTTYUPW-CYBMUJFWSA-N 0 1 392.887 3.322 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000191997940 1432777177 /nfs/dbraw/zinc/77/71/77/1432777177.db2.gz JHOSAPYAUUQSQS-QFIPXVFZSA-N 0 1 395.503 3.237 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192002208 1432777411 /nfs/dbraw/zinc/77/74/11/1432777411.db2.gz YSXXORVOAARMCN-WMZOPIPTSA-N 0 1 383.492 3.038 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192002294 1432777749 /nfs/dbraw/zinc/77/77/49/1432777749.db2.gz RMXLBKPOIAJTOM-ROUUACIJSA-N 0 1 389.540 3.316 20 0 GGADMN COc1ccccc1-c1nc(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)cs1 ZINC000192008430 1432778586 /nfs/dbraw/zinc/77/85/86/1432778586.db2.gz PJWFNJAHMVBQHH-MRXNPFEDSA-N 0 1 389.521 3.190 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000192011248 1432779303 /nfs/dbraw/zinc/77/93/03/1432779303.db2.gz XIPJHGQEHNEQLY-INIZCTEOSA-N 0 1 377.872 3.366 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000192011241 1432779333 /nfs/dbraw/zinc/77/93/33/1432779333.db2.gz XIPJHGQEHNEQLY-MRXNPFEDSA-N 0 1 377.872 3.366 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000192015369 1432779729 /nfs/dbraw/zinc/77/97/29/1432779729.db2.gz NVNKWSNNVYKEJC-IRLDBZIGSA-N 0 1 395.503 3.237 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192024136 1432781065 /nfs/dbraw/zinc/78/10/65/1432781065.db2.gz OKZCLQPTUQEWOS-WIYYLYMNSA-N 0 1 388.895 3.427 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192026002 1432781289 /nfs/dbraw/zinc/78/12/89/1432781289.db2.gz KILJXMVKCAXNFW-HKUYNNGSSA-N 0 1 388.851 3.185 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192027807 1432781876 /nfs/dbraw/zinc/78/18/76/1432781876.db2.gz HUEBRCIRBUYLTA-CTNGQTDRSA-N 0 1 388.895 3.427 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000192031978 1432782610 /nfs/dbraw/zinc/78/26/10/1432782610.db2.gz JYSRVZGCNNATEA-YOEHRIQHSA-N 0 1 394.928 3.448 20 0 GGADMN COc1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000192034069 1432783032 /nfs/dbraw/zinc/78/30/32/1432783032.db2.gz UVVYOVVJFULEIQ-AZUAARDMSA-N 0 1 390.867 3.416 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCCOc1cccc(F)c1 ZINC000192035597 1432783425 /nfs/dbraw/zinc/78/34/25/1432783425.db2.gz OXIQETDIMUNZAU-UYAOXDASSA-N 0 1 392.858 3.094 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192048781 1432786758 /nfs/dbraw/zinc/78/67/58/1432786758.db2.gz BQHKZZDHPYNMLN-TZIWHRDSSA-N 0 1 388.895 3.475 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000192047482 1432786871 /nfs/dbraw/zinc/78/68/71/1432786871.db2.gz KRRXSBJPBSNQRW-DBXWQHBBSA-N 0 1 386.879 3.400 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192053646 1432788706 /nfs/dbraw/zinc/78/87/06/1432788706.db2.gz RMMFLGYBSBZINU-UZLBHIALSA-N 0 1 390.867 3.416 20 0 GGADMN CCN(CCN(Cc1ccccc1)S(C)(=O)=O)[C@@H](C)c1cccc(O)c1 ZINC000192058819 1432789807 /nfs/dbraw/zinc/78/98/07/1432789807.db2.gz GGJRRAIYELMSJZ-KRWDZBQOSA-N 0 1 376.522 3.237 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192058957 1432789917 /nfs/dbraw/zinc/78/99/17/1432789917.db2.gz FDVUPNXWCZGXHM-BBRMVZONSA-N 0 1 394.880 3.246 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000192063880 1432791087 /nfs/dbraw/zinc/79/10/87/1432791087.db2.gz DIWYQVFKBGYTKQ-XLIONFOSSA-N 0 1 390.867 3.416 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NCc1ccc(F)cc1 ZINC000192069936 1432792265 /nfs/dbraw/zinc/79/22/65/1432792265.db2.gz IWAUVTRNWZMSHV-PKOBYXMFSA-N 0 1 380.822 3.354 20 0 GGADMN CC(C)CCOCCNC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192074648 1432793509 /nfs/dbraw/zinc/79/35/09/1432793509.db2.gz GTFPDMKNMCVWOZ-PKOBYXMFSA-N 0 1 386.895 3.078 20 0 GGADMN CN(Cc1ccccc1O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192074782 1432793672 /nfs/dbraw/zinc/79/36/72/1432793672.db2.gz UXQASMPFXOQJCE-MRXNPFEDSA-N 0 1 375.266 3.392 20 0 GGADMN CN(Cc1ccccc1O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192074788 1432793686 /nfs/dbraw/zinc/79/36/86/1432793686.db2.gz UXQASMPFXOQJCE-INIZCTEOSA-N 0 1 375.266 3.392 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCc1ccccc1F ZINC000192083834 1432795100 /nfs/dbraw/zinc/79/51/00/1432795100.db2.gz RGEBCDWQFAXOFW-MJGOQNOKSA-N 0 1 380.822 3.354 20 0 GGADMN COc1ccccc1NC(=O)C1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192085806 1432795566 /nfs/dbraw/zinc/79/55/66/1432795566.db2.gz AGJYXGCDNAEKOC-HXUWFJFHSA-N 0 1 393.487 3.299 20 0 GGADMN O=C(NCc1ccc(F)cc1)C1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192087418 1432796053 /nfs/dbraw/zinc/79/60/53/1432796053.db2.gz HJMPMZBZSGHOIO-OAQYLSRUSA-N 0 1 395.478 3.107 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192086631 1432796267 /nfs/dbraw/zinc/79/62/67/1432796267.db2.gz FHTSEIMKJOIHLJ-FXAWDEMLSA-N 0 1 392.858 3.224 20 0 GGADMN CCc1nnc(N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)nc1CC ZINC000192100841 1432798207 /nfs/dbraw/zinc/79/82/07/1432798207.db2.gz VFPQWFITKCUEIK-UHFFFAOYSA-N 0 1 398.555 3.118 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000192110935 1432799927 /nfs/dbraw/zinc/79/99/27/1432799927.db2.gz OTTAOVRWZLPJHD-UDTVLSCZSA-N 0 1 381.810 3.460 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192113155 1432800167 /nfs/dbraw/zinc/80/01/67/1432800167.db2.gz ZYGMYOCCPXHTMS-AZUAARDMSA-N 0 1 378.394 3.182 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCCc1ccc(Cl)cc1 ZINC000192113112 1432800286 /nfs/dbraw/zinc/80/02/86/1432800286.db2.gz ZKTAPPLINGUKNN-QUCCMNQESA-N 0 1 394.849 3.397 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192117540 1432800657 /nfs/dbraw/zinc/80/06/57/1432800657.db2.gz SXGHPSPFVOPWFH-GHTZIAJQSA-N 0 1 390.430 3.052 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCc1ccccc1F ZINC000192119639 1432800952 /nfs/dbraw/zinc/80/09/52/1432800952.db2.gz WNXDZERZAKGJOE-QQGDVQBRSA-N 0 1 378.394 3.228 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(F)cc1F ZINC000192118952 1432800973 /nfs/dbraw/zinc/80/09/73/1432800973.db2.gz UCJXTUZVFKEUFW-CQSZACIVSA-N 0 1 385.336 3.383 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000192120710 1432801146 /nfs/dbraw/zinc/80/11/46/1432801146.db2.gz VITJSPFDCWILAD-CTNGQTDRSA-N 0 1 390.430 3.052 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192120696 1432801221 /nfs/dbraw/zinc/80/12/21/1432801221.db2.gz VITJSPFDCWILAD-TZIWHRDSSA-N 0 1 390.430 3.052 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128102 1432802701 /nfs/dbraw/zinc/80/27/01/1432802701.db2.gz FUNKQDBVUFROMJ-XHBKTUGNSA-N 0 1 378.423 3.189 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000192132544 1432803750 /nfs/dbraw/zinc/80/37/50/1432803750.db2.gz MODJANURYLEGRM-OXQOHEQNSA-N 0 1 392.402 3.040 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC000192132226 1432803774 /nfs/dbraw/zinc/80/37/74/1432803774.db2.gz ZEGLNHKBBNOFIP-OYYNGEPBSA-N 0 1 392.471 3.419 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCc2ccccc2C1 ZINC000192132720 1432803809 /nfs/dbraw/zinc/80/38/09/1432803809.db2.gz LWQSTUVGNDSHSU-LVXYXVKQSA-N 0 1 386.442 3.358 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N[C@H]1CCOc2ccccc21 ZINC000192133841 1432804064 /nfs/dbraw/zinc/80/40/64/1432804064.db2.gz WSNTVTBDOMUTQS-WAOWUJCRSA-N 0 1 388.414 3.024 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCc1cccc(Cl)c1 ZINC000192133871 1432804127 /nfs/dbraw/zinc/80/41/27/1432804127.db2.gz NTIDOEAGSBFFOM-MJGOQNOKSA-N 0 1 380.822 3.354 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccnn1C1CCCC1 ZINC000192142233 1432806017 /nfs/dbraw/zinc/80/60/17/1432806017.db2.gz YCVLUWOXEJSYDR-PXNSSMCTSA-N 0 1 390.434 3.335 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](SCc2ccccc2)C(C)C)CC1 ZINC000192143610 1432806295 /nfs/dbraw/zinc/80/62/95/1432806295.db2.gz GNBSQRBLQRPDTL-HXUWFJFHSA-N 0 1 392.565 3.342 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCc2sccc2C1 ZINC000192143399 1432806410 /nfs/dbraw/zinc/80/64/10/1432806410.db2.gz BXAFUQSYELXGJP-APWZRJJASA-N 0 1 378.444 3.031 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCC1(c2ccccc2)CC1 ZINC000192143792 1432806592 /nfs/dbraw/zinc/80/65/92/1432806592.db2.gz NFMNWDAGUGQTGW-CTNGQTDRSA-N 0 1 386.442 3.232 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(C(C)C)nc3ccccc32)CC1 ZINC000192144082 1432806684 /nfs/dbraw/zinc/80/66/84/1432806684.db2.gz YNXOOEDLXNGUBX-UHFFFAOYSA-N 0 1 383.492 3.369 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000192144843 1432806692 /nfs/dbraw/zinc/80/66/92/1432806692.db2.gz BVSPARAVBSWPPB-INIZCTEOSA-N 0 1 398.425 3.135 20 0 GGADMN CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000192145443 1432806902 /nfs/dbraw/zinc/80/69/02/1432806902.db2.gz QPTFMKRRYSKHCG-HKUYNNGSSA-N 0 1 380.916 3.477 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000192146681 1432807284 /nfs/dbraw/zinc/80/72/84/1432807284.db2.gz GDUOIWFMXIGQJH-LJQANCHMSA-N 0 1 390.499 3.425 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c2ccccc2n1 ZINC000192146039 1432807366 /nfs/dbraw/zinc/80/73/66/1432807366.db2.gz WECANBCXBYITAC-MRXNPFEDSA-N 0 1 383.492 3.369 20 0 GGADMN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192146866 1432807634 /nfs/dbraw/zinc/80/76/34/1432807634.db2.gz SXVLDXZNXBFJQO-ZWKOTPCHSA-N 0 1 389.540 3.463 20 0 GGADMN C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N(C)CC(F)(F)F ZINC000192158724 1432809614 /nfs/dbraw/zinc/80/96/14/1432809614.db2.gz ZMGUZHDPFDQNIP-BBRMVZONSA-N 0 1 391.865 3.476 20 0 GGADMN Cn1ncc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1C(F)(F)F ZINC000192158536 1432809715 /nfs/dbraw/zinc/80/97/15/1432809715.db2.gz VEMZUCFYZJAUPB-UKRRQHHQSA-N 0 1 386.805 3.154 20 0 GGADMN CC(C)[C@@H](NC(=O)CN1CCS[C@H](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000192169372 1432811473 /nfs/dbraw/zinc/81/14/73/1432811473.db2.gz RMAXWIGGMNSLFS-IIBYNOLFSA-N 0 1 392.565 3.489 20 0 GGADMN C[C@H]1CCN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CCS1 ZINC000192171931 1432811706 /nfs/dbraw/zinc/81/17/06/1432811706.db2.gz HWKCEUNOLKCWKZ-INIZCTEOSA-N 0 1 390.549 3.171 20 0 GGADMN C[C@H]1CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)CCS1 ZINC000192184426 1432812997 /nfs/dbraw/zinc/81/29/97/1432812997.db2.gz CWJOFHAELWXNEE-KRWDZBQOSA-N 0 1 388.533 3.440 20 0 GGADMN CC(C)[C@H](NCCOc1ccc(Cl)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000192184618 1432813319 /nfs/dbraw/zinc/81/33/19/1432813319.db2.gz WOCPUBATSVEYNV-ZDUSSCGKSA-N 0 1 380.811 3.013 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CCS[C@@H](C)CC3)cc2)C[C@H](C)O1 ZINC000192187561 1432813595 /nfs/dbraw/zinc/81/35/95/1432813595.db2.gz KYICEJOUMKCWAY-BBWFWOEESA-N 0 1 377.554 3.066 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000192199691 1432815088 /nfs/dbraw/zinc/81/50/88/1432815088.db2.gz VALGOFOPIJIZAG-AWEZNQCLSA-N 0 1 389.487 3.365 20 0 GGADMN CC1=C(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)[C@H](C)n2ncnc2N1C ZINC000192199580 1432815158 /nfs/dbraw/zinc/81/51/58/1432815158.db2.gz GRFAQEJGONVRQZ-LBPRGKRZSA-N 0 1 377.452 3.345 20 0 GGADMN O=C(CCC(=O)c1cccs1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192213017 1432817220 /nfs/dbraw/zinc/81/72/20/1432817220.db2.gz MLTNHMDXGWVATL-GOSISDBHSA-N 0 1 386.517 3.118 20 0 GGADMN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2[n-]c(=S)oc2c1 ZINC000192231442 1432819994 /nfs/dbraw/zinc/81/99/94/1432819994.db2.gz OTPZRRJAHJOOJC-KRWDZBQOSA-N 0 1 397.500 3.137 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCS[C@@H](C)CC3)cc2)C[C@H](C)O1 ZINC000192234327 1432820623 /nfs/dbraw/zinc/82/06/23/1432820623.db2.gz QUELXLMBIBJWKL-KSZLIROESA-N 0 1 391.581 3.333 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCS[C@@H](C)CC3)cc2)C[C@@H](C)O1 ZINC000192234336 1432820764 /nfs/dbraw/zinc/82/07/64/1432820764.db2.gz QUELXLMBIBJWKL-KURKYZTESA-N 0 1 391.581 3.333 20 0 GGADMN COc1ccc(COC[C@@H](O)CN2CCc3cc(Cl)ccc3C2)cc1OC ZINC000192245462 1432821988 /nfs/dbraw/zinc/82/19/88/1432821988.db2.gz OFGAOCQIBPHYJJ-IBGZPJMESA-N 0 1 391.895 3.293 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ncc(F)cc2F)CC1 ZINC000192246098 1432822091 /nfs/dbraw/zinc/82/20/91/1432822091.db2.gz DDQGSRAOIYAFMA-CYBMUJFWSA-N 0 1 392.425 3.132 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000192254538 1432823069 /nfs/dbraw/zinc/82/30/69/1432823069.db2.gz HNNSCJPMWYSNCM-UHFFFAOYSA-N 0 1 381.480 3.397 20 0 GGADMN CCCC1CCC(N(C)C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)CC1 ZINC000192265513 1432824655 /nfs/dbraw/zinc/82/46/55/1432824655.db2.gz VRXOWRFVNLXAPC-UHFFFAOYSA-N 0 1 399.421 3.144 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@@H]1C ZINC000192302723 1432829488 /nfs/dbraw/zinc/82/94/88/1432829488.db2.gz AVMONAZKTIIMPI-PHIMTYICSA-N 0 1 375.300 3.149 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC(c2ccncc2)CC1 ZINC000192334031 1432833112 /nfs/dbraw/zinc/83/31/12/1432833112.db2.gz FZKDICAIJQBAPL-UHFFFAOYSA-N 0 1 379.508 3.030 20 0 GGADMN COc1ccccc1-c1nc(C2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)no1 ZINC000192341556 1432833798 /nfs/dbraw/zinc/83/37/98/1432833798.db2.gz VYIALXZIBWSJAV-AWEZNQCLSA-N 0 1 386.496 3.228 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192342309 1432833972 /nfs/dbraw/zinc/83/39/72/1432833972.db2.gz NFPYTXLFVYXSFG-IBGZPJMESA-N 0 1 399.539 3.474 20 0 GGADMN COc1ccccc1-c1nc(C2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)no1 ZINC000192343250 1432834107 /nfs/dbraw/zinc/83/41/07/1432834107.db2.gz XTUBMQNMYSPQIK-INIZCTEOSA-N 0 1 398.507 3.326 20 0 GGADMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)N1CCN(c2ccccc2)CC1 ZINC000192349319 1432834917 /nfs/dbraw/zinc/83/49/17/1432834917.db2.gz ZJVASFQVNPNBFJ-DYESRHJHSA-N 0 1 379.504 3.097 20 0 GGADMN O=C(CN[C@@H]1CCCc2c(O)cccc21)Nc1cccc(N2CCCC2=O)c1 ZINC000192348883 1432834947 /nfs/dbraw/zinc/83/49/47/1432834947.db2.gz LJAZUDVDRGWHIJ-LJQANCHMSA-N 0 1 379.460 3.125 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192349493 1432834979 /nfs/dbraw/zinc/83/49/79/1432834979.db2.gz KWKOBGODXWDSQC-IBGZPJMESA-N 0 1 398.503 3.425 20 0 GGADMN COc1ccc(CNC(=O)[C@H](C)N[C@@H]2CCCc3c(O)cccc32)cc1OC ZINC000192349154 1432835022 /nfs/dbraw/zinc/83/50/22/1432835022.db2.gz LSVNHBUBFUSQCZ-KBXCAEBGSA-N 0 1 384.476 3.081 20 0 GGADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192358716 1432836500 /nfs/dbraw/zinc/83/65/00/1432836500.db2.gz MOPONFARWVJASQ-IBGZPJMESA-N 0 1 396.487 3.179 20 0 GGADMN O=C(CN[C@@H]1CCCc2c(O)cccc21)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000192363424 1432837575 /nfs/dbraw/zinc/83/75/75/1432837575.db2.gz QJXNJHQQRHLMMY-VYBOSXCSSA-N 0 1 397.519 3.154 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)o1 ZINC000192368538 1432837734 /nfs/dbraw/zinc/83/77/34/1432837734.db2.gz OYAOCAWRVZFCCZ-UHFFFAOYSA-N 0 1 392.169 3.296 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CCC(=O)OC(C)(C)C)N1CCCCC1 ZINC000192385325 1432840184 /nfs/dbraw/zinc/84/01/84/1432840184.db2.gz RKVZFESMTLVUFI-GOSISDBHSA-N 0 1 390.524 3.460 20 0 GGADMN O=C(Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1)N1CCN(C2CCOCC2)CC1 ZINC000192407550 1432841663 /nfs/dbraw/zinc/84/16/63/1432841663.db2.gz QVQITEBEHHZWCN-LAUBAEHRSA-N 0 1 384.524 3.004 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423346 1432843193 /nfs/dbraw/zinc/84/31/93/1432843193.db2.gz KZPRVYSXVVMCBN-UHFFFAOYSA-N 0 1 392.341 3.119 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCS[C@@H](C)CC1)N1CCCC1 ZINC000192425439 1432843613 /nfs/dbraw/zinc/84/36/13/1432843613.db2.gz XPKMBOIBDJECQG-WMZOPIPTSA-N 0 1 377.554 3.369 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCS[C@H](C)CC2)N2CCCC2)c1 ZINC000192425475 1432843649 /nfs/dbraw/zinc/84/36/49/1432843649.db2.gz ZZUHNYAMYVTBLB-APWZRJJASA-N 0 1 377.554 3.369 20 0 GGADMN CC(C)(C)OC(=O)CCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000192443495 1432845279 /nfs/dbraw/zinc/84/52/79/1432845279.db2.gz YJQFMYLTQFWJJV-MRXNPFEDSA-N 0 1 384.480 3.300 20 0 GGADMN CC(C)c1cnc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000192449028 1432845958 /nfs/dbraw/zinc/84/59/58/1432845958.db2.gz MYHLZCVBCVDXHK-CYBMUJFWSA-N 0 1 392.550 3.220 20 0 GGADMN CCCc1cnc(NC(=O)C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)s1 ZINC000192449005 1432846026 /nfs/dbraw/zinc/84/60/26/1432846026.db2.gz KWGMFOKVRHYXKF-QGZVFWFLSA-N 0 1 388.537 3.016 20 0 GGADMN O=C(c1ccc(F)cc1)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000192472689 1432848889 /nfs/dbraw/zinc/84/88/89/1432848889.db2.gz RJXLTUDIDKDOAA-LJQANCHMSA-N 0 1 375.415 3.299 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](c3ccccc3F)N3CCOCC3)c2C)o1 ZINC000192472626 1432848902 /nfs/dbraw/zinc/84/89/02/1432848902.db2.gz HDLFUYRWWOJSAK-IBGZPJMESA-N 0 1 398.438 3.438 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](c3ccccc3F)N3CCOCC3)c2C)o1 ZINC000192472615 1432849014 /nfs/dbraw/zinc/84/90/14/1432849014.db2.gz HDLFUYRWWOJSAK-LJQANCHMSA-N 0 1 398.438 3.438 20 0 GGADMN C[C@@](N)(C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1 ZINC000192476422 1432849180 /nfs/dbraw/zinc/84/91/80/1432849180.db2.gz WQJXTTDNXLCLTN-NRFANRHFSA-N 0 1 378.432 3.339 20 0 GGADMN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000192485027 1432850103 /nfs/dbraw/zinc/85/01/03/1432850103.db2.gz MXJNDZUFEVRSMZ-JBNJFFQFSA-N 0 1 388.493 3.483 20 0 GGADMN C[C@@](N)(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000192489831 1432850430 /nfs/dbraw/zinc/85/04/30/1432850430.db2.gz CZUYWBLKRZFHNL-IBGZPJMESA-N 0 1 382.855 3.006 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000192493324 1432850911 /nfs/dbraw/zinc/85/09/11/1432850911.db2.gz VNBUTSVKQKNCGR-LJQANCHMSA-N 0 1 375.494 3.041 20 0 GGADMN COC(=O)c1sc2[nH]c(CN[C@H](c3ccccc3)C3CC3)nc(=O)c2c1C ZINC000192502302 1432851978 /nfs/dbraw/zinc/85/19/78/1432851978.db2.gz WAXGBBACNCWVAU-MRXNPFEDSA-N 0 1 383.473 3.321 20 0 GGADMN COC(=O)c1sc2[nH]c(CN[C@@H](c3ccccc3)C3CC3)nc(=O)c2c1C ZINC000192502289 1432852021 /nfs/dbraw/zinc/85/20/21/1432852021.db2.gz WAXGBBACNCWVAU-INIZCTEOSA-N 0 1 383.473 3.321 20 0 GGADMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@](C)(N)c1ccccc1 ZINC000192505726 1432852429 /nfs/dbraw/zinc/85/24/29/1432852429.db2.gz HXFTYELDALHPNW-SFHVURJKSA-N 0 1 377.282 3.377 20 0 GGADMN N#C[C@H](C(=O)CCCCc1cn[nH]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000192513917 1432853435 /nfs/dbraw/zinc/85/34/35/1432853435.db2.gz SFGWYRPOSHDLJV-GFCCVEGCSA-N 0 1 380.235 3.172 20 0 GGADMN N#C[C@@H](C(=O)CCCCc1cn[nH]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000192513909 1432853452 /nfs/dbraw/zinc/85/34/52/1432853452.db2.gz SFGWYRPOSHDLJV-LBPRGKRZSA-N 0 1 380.235 3.172 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccc(-n2cnnn2)c1 ZINC000192532253 1432855916 /nfs/dbraw/zinc/85/59/16/1432855916.db2.gz GGQBHOADYIERPU-NRFANRHFSA-N 0 1 395.426 3.058 20 0 GGADMN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000192532914 1432856012 /nfs/dbraw/zinc/85/60/12/1432856012.db2.gz NUBCZBUMWRVDGF-FQEVSTJZSA-N 0 1 387.443 3.002 20 0 GGADMN COCc1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000192535787 1432856385 /nfs/dbraw/zinc/85/63/85/1432856385.db2.gz LCHKCUJVLQDSTG-UHFFFAOYSA-N 0 1 382.508 3.167 20 0 GGADMN CC(=O)N1CCN(C(=O)CCNCc2c(Cl)cccc2SC(C)C)CC1 ZINC000192543044 1432857242 /nfs/dbraw/zinc/85/72/42/1432857242.db2.gz WGESKNGPURIDTF-UHFFFAOYSA-N 0 1 397.972 3.011 20 0 GGADMN O=C(c1ccccc1F)N1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000192561552 1432860193 /nfs/dbraw/zinc/86/01/93/1432860193.db2.gz GIEWHRZPTRTRAP-UHFFFAOYSA-N 0 1 378.451 3.360 20 0 GGADMN CCc1nc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(CC)CC)sc1C ZINC000192561196 1432860269 /nfs/dbraw/zinc/86/02/69/1432860269.db2.gz SBNTVMALKZRYLQ-HNNXBMFYSA-N 0 1 394.566 3.213 20 0 GGADMN CCc1nc(NC(=O)C(=O)NC[C@H](c2ccsc2)N(CC)CC)sc1C ZINC000192561204 1432860288 /nfs/dbraw/zinc/86/02/88/1432860288.db2.gz SBNTVMALKZRYLQ-OAHLLOKOSA-N 0 1 394.566 3.213 20 0 GGADMN COc1cc(OC)cc([C@@H](O)CNCc2c(F)cccc2Br)c1 ZINC000192567156 1432861314 /nfs/dbraw/zinc/86/13/14/1432861314.db2.gz HPWUKSYCFHLUQN-KRWDZBQOSA-N 0 1 384.245 3.429 20 0 GGADMN O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000192576649 1432862270 /nfs/dbraw/zinc/86/22/70/1432862270.db2.gz MPRXOIUQOICMPP-VMPITWQZSA-N 0 1 387.487 3.061 20 0 GGADMN CC(C)(C)c1nc2cc(NC(=O)c3ccccc3NS(C)(=O)=O)ccc2[nH]1 ZINC000192581750 1432862669 /nfs/dbraw/zinc/86/26/69/1432862669.db2.gz PWUNYLIEFLENRK-UHFFFAOYSA-N 0 1 386.477 3.484 20 0 GGADMN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc(-c2ccco2)n[nH]1 ZINC000192595700 1432864100 /nfs/dbraw/zinc/86/41/00/1432864100.db2.gz ZGDKIZGOJYIAMJ-UHFFFAOYSA-N 0 1 388.383 3.313 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)cc2)o1 ZINC000192608408 1432865456 /nfs/dbraw/zinc/86/54/56/1432865456.db2.gz SQDJOSOOXZLIEI-LJQANCHMSA-N 0 1 392.459 3.008 20 0 GGADMN Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cnn1Cc1ccccc1 ZINC000192610575 1432865703 /nfs/dbraw/zinc/86/57/03/1432865703.db2.gz WVDOHDBHYMIMPC-FQEVSTJZSA-N 0 1 378.476 3.400 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2C)N(C)C)c1 ZINC000192614986 1432866407 /nfs/dbraw/zinc/86/64/07/1432866407.db2.gz AYPZMPZHWLNPEA-JOCHJYFZSA-N 0 1 392.503 3.281 20 0 GGADMN Cc1ccnc(-n2nccc2NS(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000192620115 1432867122 /nfs/dbraw/zinc/86/71/22/1432867122.db2.gz AZAWMGKWUDLKSV-UHFFFAOYSA-N 0 1 384.461 3.090 20 0 GGADMN CC1=NC(=S)N[C@H](c2cnc(-c3ccco3)s2)C1C(=O)OCC(C)C ZINC000192625742 1432867903 /nfs/dbraw/zinc/86/79/03/1432867903.db2.gz YDWYCUMNEDWLPY-CQSZACIVSA-N 0 1 377.491 3.395 20 0 GGADMN CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000192638325 1432869782 /nfs/dbraw/zinc/86/97/82/1432869782.db2.gz OMLNZNNJYGZRIE-IHRRRGAJSA-N 0 1 397.445 3.231 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cnn(Cc3ccccc3)c2C)n1 ZINC000192663840 1432872762 /nfs/dbraw/zinc/87/27/62/1432872762.db2.gz KUFJERYWRIDURO-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN COC(=O)[C@H](CNC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccc(F)cc1 ZINC000192677397 1432874517 /nfs/dbraw/zinc/87/45/17/1432874517.db2.gz LQGRPETYEJOEOU-MRXNPFEDSA-N 0 1 383.423 3.016 20 0 GGADMN Cc1sc(NC(=O)CCc2cnc[nH]2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000192680438 1432874691 /nfs/dbraw/zinc/87/46/91/1432874691.db2.gz XJTHNNFBTQVMOS-UHFFFAOYSA-N 0 1 381.461 3.298 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NCc1ccc(Cl)cc1 ZINC000192688519 1432875627 /nfs/dbraw/zinc/87/56/27/1432875627.db2.gz HUHWARQTMFZNCE-QWHCGFSZSA-N 0 1 387.867 3.026 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)NCc1ccc(Cl)cc1 ZINC000192688493 1432875636 /nfs/dbraw/zinc/87/56/36/1432875636.db2.gz HUHWARQTMFZNCE-STQMWFEESA-N 0 1 387.867 3.026 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1c1cccn1C ZINC000192694182 1432876073 /nfs/dbraw/zinc/87/60/73/1432876073.db2.gz QSXGOGLGKYSMFQ-NRFANRHFSA-N 0 1 381.524 3.454 20 0 GGADMN CC(C)c1ccc(CN(C)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000192703201 1432877352 /nfs/dbraw/zinc/87/73/52/1432877352.db2.gz ARCNXGLRJZGGKE-UHFFFAOYSA-N 0 1 395.551 3.298 20 0 GGADMN COc1ccccc1N1CC[C@@H](N(Cc2ccccc2)[C@@H](CO)C2CC2)C1=O ZINC000192706963 1432877726 /nfs/dbraw/zinc/87/77/26/1432877726.db2.gz ADEHRXMULFQVMJ-RTWAWAEBSA-N 0 1 380.488 3.074 20 0 GGADMN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000192711865 1432878703 /nfs/dbraw/zinc/87/87/03/1432878703.db2.gz JGGCNGLZYHRRNI-UHFFFAOYSA-N 0 1 386.452 3.056 20 0 GGADMN COc1ccc([C@@H](CCO)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000192724282 1432880094 /nfs/dbraw/zinc/88/00/94/1432880094.db2.gz XTIIMHBRRFQFIH-RTBURBONSA-N 0 1 392.858 3.306 20 0 GGADMN CC(C)[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000192723257 1432880102 /nfs/dbraw/zinc/88/01/02/1432880102.db2.gz ASNIIXLFGUOBIG-HXUWFJFHSA-N 0 1 393.480 3.358 20 0 GGADMN O=S(=O)(CCN[C@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000192725448 1432880505 /nfs/dbraw/zinc/88/05/05/1432880505.db2.gz QGPRBMACGYMXLT-HXUWFJFHSA-N 0 1 376.497 3.026 20 0 GGADMN COc1ccc2ccccc2c1CNC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000192769487 1432887963 /nfs/dbraw/zinc/88/79/63/1432887963.db2.gz BPOHWCKOMAUHOT-SFHVURJKSA-N 0 1 385.508 3.004 20 0 GGADMN COc1cc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)ccc1Cl ZINC000192791380 1432891574 /nfs/dbraw/zinc/89/15/74/1432891574.db2.gz YULMZBYJNMTLHA-QGZVFWFLSA-N 0 1 389.883 3.015 20 0 GGADMN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192796226 1432892338 /nfs/dbraw/zinc/89/23/38/1432892338.db2.gz ITBYZCVVIFFBCP-FQEVSTJZSA-N 0 1 390.487 3.277 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@@H](C)C1 ZINC000192816628 1432894347 /nfs/dbraw/zinc/89/43/47/1432894347.db2.gz YDWZDZYIEYDJIC-UONOGXRCSA-N 0 1 383.414 3.247 20 0 GGADMN Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(-c2ccccn2)n1 ZINC000192819589 1432894644 /nfs/dbraw/zinc/89/46/44/1432894644.db2.gz HOCOECLDJRYTJF-IBGZPJMESA-N 0 1 390.491 3.362 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)N2CCCC2)cc1 ZINC000192826612 1432895718 /nfs/dbraw/zinc/89/57/18/1432895718.db2.gz MZNZMSHFBKHOQC-OAQYLSRUSA-N 0 1 390.487 3.368 20 0 GGADMN C=C1c2ccccc2C(=O)N1CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000192841870 1432897775 /nfs/dbraw/zinc/89/77/75/1432897775.db2.gz UYAFBKHJQLYCGQ-FQEVSTJZSA-N 0 1 393.487 3.440 20 0 GGADMN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)c2ccccc21 ZINC000192854201 1432899338 /nfs/dbraw/zinc/89/93/38/1432899338.db2.gz ALFQXGMUZCUAHJ-INIZCTEOSA-N 0 1 395.528 3.324 20 0 GGADMN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)c2ccccc21 ZINC000192854187 1432899411 /nfs/dbraw/zinc/89/94/11/1432899411.db2.gz ALFQXGMUZCUAHJ-MRXNPFEDSA-N 0 1 395.528 3.324 20 0 GGADMN C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)[C@H](c1ccccc1)N(C)C ZINC000192862945 1432900423 /nfs/dbraw/zinc/90/04/23/1432900423.db2.gz FTTHOGKIAYJTNF-SJKOYZFVSA-N 0 1 392.912 3.186 20 0 GGADMN C[C@H](NS(=O)(=O)C1=Cc2ccccc2OCC1)[C@@H](c1ccccc1)N(C)C ZINC000192865321 1432900674 /nfs/dbraw/zinc/90/06/74/1432900674.db2.gz FNJZPNXISLPBSN-KKSFZXQISA-N 0 1 386.517 3.421 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCCC2=CCCCC2)N(C)C)cc1OC ZINC000192867620 1432900945 /nfs/dbraw/zinc/90/09/45/1432900945.db2.gz MEMWISCVKLZDRA-GOSISDBHSA-N 0 1 375.513 3.496 20 0 GGADMN Cc1cccc2c1CCN2C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000192870108 1432901182 /nfs/dbraw/zinc/90/11/82/1432901182.db2.gz IPFNYNIIZHZYTO-UHFFFAOYSA-N 0 1 395.528 3.072 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(N3CCCC3)ccn2)N2CCCC2)c1 ZINC000192879827 1432902425 /nfs/dbraw/zinc/90/24/25/1432902425.db2.gz VWMKPMWUKDGNRT-JOCHJYFZSA-N 0 1 394.519 3.257 20 0 GGADMN C[C@@H](CNC(=O)[C@H](C)NCc1ccccc1CN1CCCC1=O)c1ccccc1 ZINC000192879795 1432902507 /nfs/dbraw/zinc/90/25/07/1432902507.db2.gz JJFBIGOUFBWWHP-OALUTQOASA-N 0 1 393.531 3.207 20 0 GGADMN C[C@@H](CNC(=O)[C@@H](C)NCc1ccccc1CN1CCCC1=O)c1ccccc1 ZINC000192879771 1432902514 /nfs/dbraw/zinc/90/25/14/1432902514.db2.gz JJFBIGOUFBWWHP-RBUKOAKNSA-N 0 1 393.531 3.207 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)NCc2ccccc2CN2CCCC2=O)c(F)c1 ZINC000192880709 1432902530 /nfs/dbraw/zinc/90/25/30/1432902530.db2.gz SWJMAXALHIGAMU-MRXNPFEDSA-N 0 1 383.467 3.373 20 0 GGADMN CC(=O)CCC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000192893851 1432904043 /nfs/dbraw/zinc/90/40/43/1432904043.db2.gz HPIBULVNBFPNPQ-UHFFFAOYSA-N 0 1 379.504 3.312 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000192897344 1432904385 /nfs/dbraw/zinc/90/43/85/1432904385.db2.gz CTIUDBZONJVXMO-QMMMGPOBSA-N 0 1 390.358 3.241 20 0 GGADMN O=C(C[C@@H]1CCCOC1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000192895997 1432904451 /nfs/dbraw/zinc/90/44/51/1432904451.db2.gz ITPVACPGGMKFGI-FQEVSTJZSA-N 0 1 394.519 3.159 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)N(C)CC3)cc1OC ZINC000192898196 1432904663 /nfs/dbraw/zinc/90/46/63/1432904663.db2.gz HWNYBOBCBGCDAI-UHFFFAOYSA-N 0 1 382.869 3.150 20 0 GGADMN C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)NCCc1ccc(F)cc1 ZINC000192947502 1432911776 /nfs/dbraw/zinc/91/17/76/1432911776.db2.gz ZSHHWVAEYNFBRW-LBPRGKRZSA-N 0 1 386.452 3.156 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cn1 ZINC000192953506 1432912431 /nfs/dbraw/zinc/91/24/31/1432912431.db2.gz LZEORRPHZHWRIC-KRWDZBQOSA-N 0 1 387.505 3.133 20 0 GGADMN O=C(NC[C@H](O)c1ccc(Cl)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000192953543 1432912456 /nfs/dbraw/zinc/91/24/56/1432912456.db2.gz NUVCILQMDBDDNQ-SJORKVTESA-N 0 1 377.872 3.103 20 0 GGADMN COc1ccccc1Nc1ccccc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000192958526 1432913131 /nfs/dbraw/zinc/91/31/31/1432913131.db2.gz DAFCHFYXWDILOC-GOSISDBHSA-N 0 1 395.503 3.233 20 0 GGADMN CCN(C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)C1CC1 ZINC000192966212 1432914259 /nfs/dbraw/zinc/91/42/59/1432914259.db2.gz MQWQGBSVAJCHSF-UHFFFAOYSA-N 0 1 388.489 3.429 20 0 GGADMN Cc1c(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cnn1C1CCCC1 ZINC000192989927 1432918186 /nfs/dbraw/zinc/91/81/86/1432918186.db2.gz IODUSMUQTUBCAI-UHFFFAOYSA-N 0 1 383.477 3.095 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000192997256 1432919179 /nfs/dbraw/zinc/91/91/79/1432919179.db2.gz GPPKXWDUAZDXNG-OALUTQOASA-N 0 1 385.552 3.285 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000193004572 1432920843 /nfs/dbraw/zinc/92/08/43/1432920843.db2.gz IVNSLAQYBLQBJI-GOSISDBHSA-N 0 1 386.496 3.305 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193014473 1432922340 /nfs/dbraw/zinc/92/23/40/1432922340.db2.gz CEXPVNGGYNOHPW-QGZVFWFLSA-N 0 1 384.446 3.368 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193014473 1432922344 /nfs/dbraw/zinc/92/23/44/1432922344.db2.gz CEXPVNGGYNOHPW-QGZVFWFLSA-N 0 1 384.446 3.368 20 0 GGADMN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCCC[C@H]1c1nnc[nH]1 ZINC000193019849 1432923158 /nfs/dbraw/zinc/92/31/58/1432923158.db2.gz FGIFPOVKGPATGJ-HNNXBMFYSA-N 0 1 394.401 3.442 20 0 GGADMN CCCNc1ccc(CNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000193033736 1432925174 /nfs/dbraw/zinc/92/51/74/1432925174.db2.gz LNLWDGZNPKHLMT-UHFFFAOYSA-N 0 1 396.516 3.214 20 0 GGADMN COc1c(C)ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)c1C ZINC000193041920 1432926401 /nfs/dbraw/zinc/92/64/01/1432926401.db2.gz ZNWHFMYENJDQHS-UHFFFAOYSA-N 0 1 375.513 3.469 20 0 GGADMN COc1c(C)ccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1C ZINC000193066431 1432931080 /nfs/dbraw/zinc/93/10/80/1432931080.db2.gz VBMSRFHYQVYMKE-HXUWFJFHSA-N 0 1 395.503 3.204 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193066251 1432931167 /nfs/dbraw/zinc/93/11/67/1432931167.db2.gz MCVRJBKQTCNKHQ-FQEVSTJZSA-N 0 1 395.503 3.367 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193070663 1432931842 /nfs/dbraw/zinc/93/18/42/1432931842.db2.gz FXFJHJHINDEUFR-HXUWFJFHSA-N 0 1 390.487 3.229 20 0 GGADMN Cc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c2cccnc12 ZINC000193076009 1432932695 /nfs/dbraw/zinc/93/26/95/1432932695.db2.gz IATYBDLGZSXRIA-UHFFFAOYSA-N 0 1 376.441 3.181 20 0 GGADMN Cc1cc(-c2noc([C@@H](C)N3CCC[C@H](C(=O)NCC4CC4)C3)n2)ccc1F ZINC000193084332 1432933880 /nfs/dbraw/zinc/93/38/80/1432933880.db2.gz NPRLTZFYDASGRB-PBHICJAKSA-N 0 1 386.471 3.483 20 0 GGADMN Cc1ccc(NCCCNC(=O)NC[C@H](c2ccco2)N2CCCCC2)nc1 ZINC000193093889 1432935375 /nfs/dbraw/zinc/93/53/75/1432935375.db2.gz PSVPRJOLPPFICP-GOSISDBHSA-N 0 1 385.512 3.311 20 0 GGADMN O=C(CCCNC(=O)C1CC1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000193100947 1432935841 /nfs/dbraw/zinc/93/58/41/1432935841.db2.gz AYYHVYYBCKQVMH-OAQYLSRUSA-N 0 1 376.460 3.075 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H]2CCCc3occc32)N(C)C)cc1OC ZINC000193103160 1432936202 /nfs/dbraw/zinc/93/62/02/1432936202.db2.gz UGYUFZMZOAWJPO-IAGOWNOFSA-N 0 1 387.480 3.276 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2ccc(F)c(C)c2)N(C)C)cc1OC ZINC000193102010 1432936205 /nfs/dbraw/zinc/93/62/05/1432936205.db2.gz IVDKXLFVUGDDAA-GOSISDBHSA-N 0 1 389.471 3.253 20 0 GGADMN CCc1ccc(CNC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)s1 ZINC000193103201 1432936243 /nfs/dbraw/zinc/93/62/43/1432936243.db2.gz KUYMRNCBLVWXBB-KRWDZBQOSA-N 0 1 391.537 3.430 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H](C)Cc2cccs2)N(C)C)cc1OC ZINC000193104333 1432936610 /nfs/dbraw/zinc/93/66/10/1432936610.db2.gz YXIZBAPEOHUUTO-YOEHRIQHSA-N 0 1 391.537 3.298 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2F)N(C)C)cc1OC ZINC000193104916 1432936657 /nfs/dbraw/zinc/93/66/57/1432936657.db2.gz DIGPFVAKXWJLIO-SFHVURJKSA-N 0 1 389.471 3.287 20 0 GGADMN 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GGADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccs2)cc1 ZINC000194059409 1433109618 /nfs/dbraw/zinc/10/96/18/1433109618.db2.gz VKSCRSRHJIDXTB-KBPBESRZSA-N 0 1 395.550 3.113 20 0 GGADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccs2)cc1 ZINC000194059442 1433109624 /nfs/dbraw/zinc/10/96/24/1433109624.db2.gz VKSCRSRHJIDXTB-KGLIPLIRSA-N 0 1 395.550 3.113 20 0 GGADMN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccs2)cc1 ZINC000194059426 1433109627 /nfs/dbraw/zinc/10/96/27/1433109627.db2.gz VKSCRSRHJIDXTB-ZIAGYGMSSA-N 0 1 395.550 3.113 20 0 GGADMN CN(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000194084221 1433113947 /nfs/dbraw/zinc/11/39/47/1433113947.db2.gz IXRPOBLZSSFHGU-UHFFFAOYSA-N 0 1 394.880 3.328 20 0 GGADMN O=C(CN1CCC(c2ccccc2)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000194117791 1433120643 /nfs/dbraw/zinc/12/06/43/1433120643.db2.gz ZSRRBXCHDUTBGX-UHFFFAOYSA-N 0 1 391.515 3.075 20 0 GGADMN O=C(Nc1ccncn1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000194144055 1433125852 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ACNJYLWKVQKFRQ-IBGZPJMESA-N 0 1 394.924 3.357 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])[C@H](C)C1 ZINC000194187850 1433134204 /nfs/dbraw/zinc/13/42/04/1433134204.db2.gz WGRFODHROQCQBV-CZUORRHYSA-N 0 1 376.888 3.034 20 0 GGADMN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1cnn[nH]1 ZINC000194187121 1433134434 /nfs/dbraw/zinc/13/44/34/1433134434.db2.gz FBSCIKUETFMPEY-INIZCTEOSA-N 0 1 387.896 3.049 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3n[nH]nc3-c3ccccc3)ccc2NC1=O ZINC000194202747 1433137803 /nfs/dbraw/zinc/13/78/03/1433137803.db2.gz DUQAIRKCRXWNFP-MLGOLLRUSA-N 0 1 391.431 3.072 20 0 GGADMN CC(C)CS(=O)(=O)CC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000194205941 1433138714 /nfs/dbraw/zinc/13/87/14/1433138714.db2.gz PSDUEOHOOCAXPQ-UHFFFAOYSA-N 0 1 389.452 3.378 20 0 GGADMN CCOCCOc1cc(C)ccc1CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000194207451 1433139080 /nfs/dbraw/zinc/13/90/80/1433139080.db2.gz NYKOMMHYIFXKMZ-UHFFFAOYSA-N 0 1 380.448 3.125 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000194211781 1433139760 /nfs/dbraw/zinc/13/97/60/1433139760.db2.gz LHIGSBBZSCNAAY-UHFFFAOYSA-N 0 1 384.451 3.381 20 0 GGADMN Cc1nc2ccccc2n1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000194212282 1433139922 /nfs/dbraw/zinc/13/99/22/1433139922.db2.gz OZILAFBDSMXSQA-UHFFFAOYSA-N 0 1 380.467 3.265 20 0 GGADMN Fc1ccc([C@H](CNCc2nc(-c3ccccc3)c[nH]2)N2CCOCC2)cc1 ZINC000194220904 1433141661 /nfs/dbraw/zinc/14/16/61/1433141661.db2.gz MGXYHPLSVKYJOH-NRFANRHFSA-N 0 1 380.467 3.379 20 0 GGADMN COc1ccc(C[C@H](C)CNC(=O)c2n[nH]nc2-c2ccccc2)cc1OC ZINC000194222748 1433141813 /nfs/dbraw/zinc/14/18/13/1433141813.db2.gz CDZLIBHOYCOAHY-AWEZNQCLSA-N 0 1 380.448 3.098 20 0 GGADMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cnn(C2CCCC2)c1C ZINC000194226048 1433143346 /nfs/dbraw/zinc/14/33/46/1433143346.db2.gz PCWPJGPOKWAZLF-UHFFFAOYSA-N 0 1 397.472 3.272 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC000194228178 1433143570 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Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000194280830 1433154631 /nfs/dbraw/zinc/15/46/31/1433154631.db2.gz ZYGGRFAZZUPZDO-LJQANCHMSA-N 0 1 385.552 3.066 20 0 GGADMN C[C@@H](C(=O)NC1(c2nnc[nH]2)CCC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000194291043 1433156488 /nfs/dbraw/zinc/15/64/88/1433156488.db2.gz WLAPUWGRRSQMQU-GDBMZVCRSA-N 0 1 399.495 3.202 20 0 GGADMN C[C@H](C(=O)NC1(c2nnc[nH]2)CCC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000194291027 1433156505 /nfs/dbraw/zinc/15/65/05/1433156505.db2.gz WLAPUWGRRSQMQU-GOEBONIOSA-N 0 1 399.495 3.202 20 0 GGADMN O=C(Cn1c2ccccc2nc1C1CCCCC1)NC1(c2nnc[nH]2)CCC1 ZINC000194294504 1433157090 /nfs/dbraw/zinc/15/70/90/1433157090.db2.gz OEQIPMPCVGMULM-UHFFFAOYSA-N 0 1 378.480 3.398 20 0 GGADMN CC(C)N(Cc1sccc1Cl)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000194325487 1433161717 /nfs/dbraw/zinc/16/17/17/1433161717.db2.gz ZEVRTXOEXCEVRF-HNNXBMFYSA-N 0 1 396.940 3.080 20 0 GGADMN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)C(=O)c1ccccc1 ZINC000194331788 1433162672 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GGADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3C)[nH]n2)o1 ZINC000194387444 1433170561 /nfs/dbraw/zinc/17/05/61/1433170561.db2.gz HRSHLDLQCRXDQJ-UHFFFAOYSA-N 0 1 394.431 3.011 20 0 GGADMN C[C@H](CCc1ccc(O)cc1)NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000194398427 1433172031 /nfs/dbraw/zinc/17/20/31/1433172031.db2.gz WFUGGMCLMLEQCB-QGZVFWFLSA-N 0 1 382.508 3.072 20 0 GGADMN CC(C)[C@H](CNC(=O)NC1CCN(Cc2ccncc2)CC1)Nc1ccccc1 ZINC000194406218 1433173336 /nfs/dbraw/zinc/17/33/36/1433173336.db2.gz CAZIUUSRSSUJRS-QFIPXVFZSA-N 0 1 395.551 3.482 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c2c(n1)onc2C(C)C ZINC000194423928 1433175697 /nfs/dbraw/zinc/17/56/97/1433175697.db2.gz FBBLSHCAVBDMML-UHFFFAOYSA-N 0 1 394.479 3.054 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)CC)cc1)c1ccco1 ZINC000194427033 1433176347 /nfs/dbraw/zinc/17/63/47/1433176347.db2.gz OUCGQQUAUHLPHB-KRWDZBQOSA-N 0 1 393.509 3.278 20 0 GGADMN Cc1cccc([C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2ccccn2)c1 ZINC000194433020 1433177225 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GGADMN COc1ccc([C@@H](NC[C@@H]2CCC=CO2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000194481534 1433185113 /nfs/dbraw/zinc/18/51/13/1433185113.db2.gz DGAHJOMRQWSEJH-PZJWPPBQSA-N 0 1 387.501 3.470 20 0 GGADMN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)c1ccccc1 ZINC000194482952 1433185417 /nfs/dbraw/zinc/18/54/17/1433185417.db2.gz JXAGSBWDDKVIGW-FQEVSTJZSA-N 0 1 388.471 3.460 20 0 GGADMN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000194484772 1433185639 /nfs/dbraw/zinc/18/56/39/1433185639.db2.gz FPMIKCGONHNVKV-UHFFFAOYSA-N 0 1 388.443 3.299 20 0 GGADMN CC[C@H]1CCc2nc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)sc2C1 ZINC000194490489 1433186624 /nfs/dbraw/zinc/18/66/24/1433186624.db2.gz KWQFESDFBXDZCV-JKSUJKDBSA-N 0 1 392.569 3.234 20 0 GGADMN CC[C@@H]1CCc2nc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)sc2C1 ZINC000194490506 1433186662 /nfs/dbraw/zinc/18/66/62/1433186662.db2.gz KWQFESDFBXDZCV-CVEARBPZSA-N 0 1 392.569 3.234 20 0 GGADMN COc1cc([C@H](C)NC(=O)NCc2cn[nH]c2C)ccc1OCc1ccncc1 ZINC000194495764 1433187410 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CC(=O)c1cccc(OC[C@@H](O)CN2CCC(OCc3ccccc3)CC2)c1 ZINC000194508589 1433189830 /nfs/dbraw/zinc/18/98/30/1433189830.db2.gz NDNLCQJXYLBIOZ-NRFANRHFSA-N 0 1 383.488 3.310 20 0 GGADMN O=C(Nc1nc2c(s1)CCCCCC2)N1CCC[C@H](CN2CCOCC2)C1 ZINC000194524643 1433191869 /nfs/dbraw/zinc/19/18/69/1433191869.db2.gz LOUGGHGABWQQAA-MRXNPFEDSA-N 0 1 392.569 3.378 20 0 GGADMN Cc1cccc(C)c1OCCNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000194524360 1433191907 /nfs/dbraw/zinc/19/19/07/1433191907.db2.gz SIBGTOWHNMDUQC-UHFFFAOYSA-N 0 1 382.508 3.041 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2ccc(-c3ccccc3)s2)CC1 ZINC000194524441 1433192007 /nfs/dbraw/zinc/19/20/07/1433192007.db2.gz CQRPZCZFSLXJHX-UHFFFAOYSA-N 0 1 392.528 3.492 20 0 GGADMN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000194543093 1433194981 /nfs/dbraw/zinc/19/49/81/1433194981.db2.gz TYYAJWQUOJJXKK-UHFFFAOYSA-N 0 1 388.449 3.382 20 0 GGADMN CCC[C@H]1CCc2nc(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)sc2C1 ZINC000194563527 1433197903 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CCC[C@]1(COC)CCCN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000194930224 1433266787 /nfs/dbraw/zinc/26/67/87/1433266787.db2.gz ZGAMTMNRKJXDBD-LJQANCHMSA-N 0 1 376.526 3.213 20 0 GGADMN CCC[C@]1(COC)CCCN1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000194931930 1433267153 /nfs/dbraw/zinc/26/71/53/1433267153.db2.gz PSQRMAIMJOKOOP-OAQYLSRUSA-N 0 1 375.513 3.044 20 0 GGADMN COc1cccc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)c1OC(F)F ZINC000194939452 1433268943 /nfs/dbraw/zinc/26/89/43/1433268943.db2.gz KTSAOAZOLRFUOY-ZDUSSCGKSA-N 0 1 382.411 3.125 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC2(SC)CC2)CC1 ZINC000194941614 1433269129 /nfs/dbraw/zinc/26/91/29/1433269129.db2.gz QVNQVGORAQDWOF-OAHLLOKOSA-N 0 1 394.560 3.223 20 0 GGADMN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000194946568 1433270496 /nfs/dbraw/zinc/27/04/96/1433270496.db2.gz FFCDPAVNNAIDLV-UHFFFAOYSA-N 0 1 378.407 3.346 20 0 GGADMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194975004 1433275570 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C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)C1N=NC(=O)N1CCc1ccccc1 ZINC000195064313 1433287619 /nfs/dbraw/zinc/28/76/19/1433287619.db2.gz XAOSKZUQFGBXGR-GFCCVEGCSA-N 0 1 393.415 3.040 20 0 GGADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN4CCCC[C@H]4C3)c12 ZINC000195066406 1433287932 /nfs/dbraw/zinc/28/79/32/1433287932.db2.gz ZBVBVUKYIAMEQI-HNNXBMFYSA-N 0 1 395.532 3.316 20 0 GGADMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN4CCCC[C@@H]4C3)c12 ZINC000195067022 1433287948 /nfs/dbraw/zinc/28/79/48/1433287948.db2.gz RIFWGFYUBXDXKA-GOSISDBHSA-N 0 1 389.503 3.254 20 0 GGADMN CC(C)c1ccc(-c2noc(CCC(=O)N3CCN4CCCC[C@@H]4C3)n2)cc1 ZINC000195070621 1433288540 /nfs/dbraw/zinc/28/85/40/1433288540.db2.gz AIOBSRHSOAVHMX-LJQANCHMSA-N 0 1 382.508 3.489 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1ccco1 ZINC000195074406 1433289107 /nfs/dbraw/zinc/28/91/07/1433289107.db2.gz IEIQTZGISLLQPD-MOPGFXCFSA-N 0 1 383.492 3.084 20 0 GGADMN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CCCCc1cn[nH]n1 ZINC000195128743 1433296522 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/nfs/dbraw/zinc/37/72/12/1433377212.db2.gz ZYNHNAHJEWPNGQ-UHFFFAOYSA-N 0 1 375.494 3.191 20 0 GGADMN CC(C)COc1cccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000236728263 1433377309 /nfs/dbraw/zinc/37/73/09/1433377309.db2.gz MURNIRWVGUOVNP-QFIPXVFZSA-N 0 1 392.503 3.475 20 0 GGADMN CCC(CC)c1nnc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)s1 ZINC000236731127 1433377365 /nfs/dbraw/zinc/37/73/65/1433377365.db2.gz RRVQOIPQFQFVGJ-KRWDZBQOSA-N 0 1 398.536 3.195 20 0 GGADMN CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000236745959 1433377469 /nfs/dbraw/zinc/37/74/69/1433377469.db2.gz GBXVMFOOSCMPNE-QGZVFWFLSA-N 0 1 397.447 3.078 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000236772881 1433378282 /nfs/dbraw/zinc/37/82/82/1433378282.db2.gz FUROYKLNBRPCKK-GOEBONIOSA-N 0 1 379.888 3.044 20 0 GGADMN CC(C)(C)C(=O)NCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236796314 1433379053 /nfs/dbraw/zinc/37/90/53/1433379053.db2.gz ZFBMUODHRARDON-UHFFFAOYSA-N 0 1 379.302 3.091 20 0 GGADMN CCC(CC)(C[NH3+])NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000236805927 1433379376 /nfs/dbraw/zinc/37/93/76/1433379376.db2.gz GVJWPAHQWIZRTO-UHFFFAOYSA-N 0 1 389.521 3.043 20 0 GGADMN CCC([NH3+])(CC)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000236836484 1433380478 /nfs/dbraw/zinc/38/04/78/1433380478.db2.gz DMVCKKIQBGUKEA-UHFFFAOYSA-N 0 1 389.521 3.043 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000236857517 1433381172 /nfs/dbraw/zinc/38/11/72/1433381172.db2.gz ZPSXSOAGSLXUQD-SECBINFHSA-N 0 1 391.781 3.020 20 0 GGADMN CCOc1cc2c(cc1CNC[C@H](O)COc1ccc(F)cc1)O[C@@H](C)C2 ZINC000236871516 1433381393 /nfs/dbraw/zinc/38/13/93/1433381393.db2.gz JFODQICKDQNRDY-KSSFIOAISA-N 0 1 375.440 3.077 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](N)Cc1ccccc1 ZINC000236903218 1433382778 /nfs/dbraw/zinc/38/27/78/1433382778.db2.gz DXTWHTNBQNYAIG-MRXNPFEDSA-N 0 1 394.302 3.350 20 0 GGADMN CCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000236909117 1433383030 /nfs/dbraw/zinc/38/30/30/1433383030.db2.gz GGQGTYWOCJYQSQ-NRFANRHFSA-N 0 1 398.457 3.128 20 0 GGADMN CCOc1ccccc1CNCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000236928745 1433383530 /nfs/dbraw/zinc/38/35/30/1433383530.db2.gz UVODLWVZNDBBBL-UHFFFAOYSA-N 0 1 387.911 3.177 20 0 GGADMN CC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000236946268 1433383837 /nfs/dbraw/zinc/38/38/37/1433383837.db2.gz BOOIIPWXWHQHTD-FQEVSTJZSA-N 0 1 395.503 3.028 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]1NCCc3ccccc31)CC2 ZINC000236960413 1433383931 /nfs/dbraw/zinc/38/39/31/1433383931.db2.gz XGVLOVLGMQFNIY-JOCHJYFZSA-N 0 1 380.488 3.256 20 0 GGADMN CCCOc1ccc(CNCc2cnc(N3CCOCC3)s2)cc1OC ZINC000236957617 1433384096 /nfs/dbraw/zinc/38/40/96/1433384096.db2.gz NINPFNABCIDQFH-UHFFFAOYSA-N 0 1 377.510 3.067 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000236959855 1433384128 /nfs/dbraw/zinc/38/41/28/1433384128.db2.gz JIQDHVNIDHQOQM-HNNXBMFYSA-N 0 1 386.496 3.293 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000236959855 1433384131 /nfs/dbraw/zinc/38/41/31/1433384131.db2.gz JIQDHVNIDHQOQM-HNNXBMFYSA-N 0 1 386.496 3.293 20 0 GGADMN CC[C@@H](CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccccc1 ZINC000236964154 1433384337 /nfs/dbraw/zinc/38/43/37/1433384337.db2.gz RJMKBSLGPAEIIX-UGKGYDQZSA-N 0 1 376.504 3.111 20 0 GGADMN CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000236989881 1433385101 /nfs/dbraw/zinc/38/51/01/1433385101.db2.gz JIFKVIGWHFYYSG-PXAZEXFGSA-N 0 1 395.912 3.453 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccccc2OCC(=O)N(C)C)c1 ZINC000237001492 1433385304 /nfs/dbraw/zinc/38/53/04/1433385304.db2.gz QMKVHWGRYBFLQI-QGZVFWFLSA-N 0 1 397.519 3.428 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CNCc2cnc(N3CCOCC3)s2)c1 ZINC000237007237 1433385795 /nfs/dbraw/zinc/38/57/95/1433385795.db2.gz ZUTMPEZIWDEFFP-OAHLLOKOSA-N 0 1 388.537 3.254 20 0 GGADMN CCOc1cc(CNC(=O)[C@H]2Cc3ccccc3CN2)ccc1OC(F)F ZINC000237072311 1433388028 /nfs/dbraw/zinc/38/80/28/1433388028.db2.gz VDEGRNIUAUDZBX-MRXNPFEDSA-N 0 1 376.403 3.017 20 0 GGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000237076746 1433388115 /nfs/dbraw/zinc/38/81/15/1433388115.db2.gz XFYKKJZGZQCIRX-QGZVFWFLSA-N 0 1 376.541 3.445 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000237076746 1433388116 /nfs/dbraw/zinc/38/81/16/1433388116.db2.gz XFYKKJZGZQCIRX-QGZVFWFLSA-N 0 1 376.541 3.445 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2ccc(Br)cc2)C1=O ZINC000237104717 1433389237 /nfs/dbraw/zinc/38/92/37/1433389237.db2.gz MCWOKYBJMCSMDO-HNNXBMFYSA-N 0 1 375.266 3.353 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@H]1NCCc2ccccc21 ZINC000237118221 1433389691 /nfs/dbraw/zinc/38/96/91/1433389691.db2.gz LAQYTWOUYUKYCL-QFIPXVFZSA-N 0 1 392.478 3.494 20 0 GGADMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000237121640 1433389885 /nfs/dbraw/zinc/38/98/85/1433389885.db2.gz BASNKTDSIGKDHG-JOCHJYFZSA-N 0 1 392.478 3.321 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000237135444 1433390655 /nfs/dbraw/zinc/39/06/55/1433390655.db2.gz OEORZBMARGFGNZ-CHWSQXEVSA-N 0 1 387.871 3.459 20 0 GGADMN COc1cc(N)c(Cl)cc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000237237914 1433393601 /nfs/dbraw/zinc/39/36/01/1433393601.db2.gz IDIVIUCOLOARNF-MRXNPFEDSA-N 0 1 377.872 3.399 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CNCc2ccc(Br)cc2F)c1 ZINC000237269161 1433394974 /nfs/dbraw/zinc/39/49/74/1433394974.db2.gz HIYSICGTKWLYSU-INIZCTEOSA-N 0 1 384.245 3.429 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1OCc1ccncc1 ZINC000237316660 1433396845 /nfs/dbraw/zinc/39/68/45/1433396845.db2.gz WIBHWOAJFNPRFX-FQEVSTJZSA-N 0 1 389.455 3.322 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1OCC(F)(F)F ZINC000237316572 1433396892 /nfs/dbraw/zinc/39/68/92/1433396892.db2.gz QGTQWGQPBIYHEQ-HNNXBMFYSA-N 0 1 380.366 3.289 20 0 GGADMN COc1cc2c(c(CNCc3ccccc3CN3CCCC3=O)c1)O[C@@H](C)C2 ZINC000237404099 1433401376 /nfs/dbraw/zinc/40/13/76/1433401376.db2.gz JCKXEIFBQMOFCH-INIZCTEOSA-N 0 1 380.488 3.431 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000237428520 1433402342 /nfs/dbraw/zinc/40/23/42/1433402342.db2.gz BCPZGMKSRUGVLK-FQEVSTJZSA-N 0 1 394.544 3.148 20 0 GGADMN C[C@H](CS(C)(=O)=O)NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237436661 1433403376 /nfs/dbraw/zinc/40/33/76/1433403376.db2.gz SRZNEEDWVSQCOV-CYBMUJFWSA-N 0 1 380.897 3.115 20 0 GGADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNCc1nc2ccccc2n1C ZINC000237474242 1433405056 /nfs/dbraw/zinc/40/50/56/1433405056.db2.gz AXTOTAXADJQLFW-WMLDXEAASA-N 0 1 388.512 3.423 20 0 GGADMN C[C@@H](NCc1cnc(N2CCOCC2)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000237474923 1433405066 /nfs/dbraw/zinc/40/50/66/1433405066.db2.gz IQXSDPFVIABMDT-CQSZACIVSA-N 0 1 386.521 3.179 20 0 GGADMN Cc1ccc(C[C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c(C)c1 ZINC000237510435 1433407030 /nfs/dbraw/zinc/40/70/30/1433407030.db2.gz VAYNUIJDEZMEIG-XXBNENTESA-N 0 1 390.531 3.165 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)[C@H]3Cc4ccccc4CN3)cn2)c1 ZINC000237528731 1433408059 /nfs/dbraw/zinc/40/80/59/1433408059.db2.gz ZDGYTVWFSPXAHG-OAQYLSRUSA-N 0 1 389.455 3.213 20 0 GGADMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1nnc2ccccn21 ZINC000237523714 1433408229 /nfs/dbraw/zinc/40/82/29/1433408229.db2.gz OAFMYLRHWHNTCD-GFCCVEGCSA-N 0 1 377.370 3.255 20 0 GGADMN Cc1cn2c(nc(C)c2CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000237553127 1433409074 /nfs/dbraw/zinc/40/90/74/1433409074.db2.gz WNJFCJGCEJFGMZ-ZDUSSCGKSA-N 0 1 392.550 3.114 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000237554449 1433409239 /nfs/dbraw/zinc/40/92/39/1433409239.db2.gz QGLWKKGPMGNGLU-ZDUSSCGKSA-N 0 1 380.439 3.017 20 0 GGADMN Cc1nn(C)c2ncc(CNc3ccccc3CN3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000237576293 1433410543 /nfs/dbraw/zinc/41/05/43/1433410543.db2.gz HPCOIJDSFBBPPV-HZPDHXFCSA-N 0 1 379.508 3.498 20 0 GGADMN Cc1cc(F)ccc1-c1ccc(CNCCNS(=O)(=O)c2ccccc2)o1 ZINC000237652960 1433415045 /nfs/dbraw/zinc/41/50/45/1433415045.db2.gz BRKGBOIIFSTGAC-UHFFFAOYSA-N 0 1 388.464 3.462 20 0 GGADMN Cc1ccc(C(C)(C)CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000237656971 1433415288 /nfs/dbraw/zinc/41/52/88/1433415288.db2.gz WBAMXGAIIUHHPQ-QFIPXVFZSA-N 0 1 390.531 3.204 20 0 GGADMN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1Cc2ccccc2CN1 ZINC000237674010 1433416296 /nfs/dbraw/zinc/41/62/96/1433416296.db2.gz WZAGLXQQCOHDTQ-FQEVSTJZSA-N 0 1 384.907 3.219 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCCCS(C)(=O)=O ZINC000237689987 1433416902 /nfs/dbraw/zinc/41/69/02/1433416902.db2.gz VSUBHRJUFMJMNI-UHFFFAOYSA-N 0 1 390.336 3.071 20 0 GGADMN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1NCCc2ccccc21 ZINC000237708650 1433418282 /nfs/dbraw/zinc/41/82/82/1433418282.db2.gz POBHPMYLSIFYJF-HNNXBMFYSA-N 0 1 399.800 3.136 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237746359 1433420809 /nfs/dbraw/zinc/42/08/09/1433420809.db2.gz PBAIFYHVFYHZCX-LJQANCHMSA-N 0 1 389.421 3.069 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@H]1CCCC[NH2+]1 ZINC000237747760 1433420858 /nfs/dbraw/zinc/42/08/58/1433420858.db2.gz SBFBEYVCFRUOOV-QGZVFWFLSA-N 0 1 393.896 3.221 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000237749533 1433420868 /nfs/dbraw/zinc/42/08/68/1433420868.db2.gz UVDHNJKWSACQPQ-MOPGFXCFSA-N 0 1 390.405 3.320 20 0 GGADMN Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c(OCC(F)(F)F)c1 ZINC000237751239 1433421100 /nfs/dbraw/zinc/42/11/00/1433421100.db2.gz CIBNSVGPKCBYAN-QGZVFWFLSA-N 0 1 378.394 3.267 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H](c1ccco1)N1CCCC1 ZINC000237760371 1433421709 /nfs/dbraw/zinc/42/17/09/1433421709.db2.gz KVHYZUTVFQWBAA-OAHLLOKOSA-N 0 1 386.418 3.189 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000237762617 1433422230 /nfs/dbraw/zinc/42/22/30/1433422230.db2.gz KVHYZUTVFQWBAA-HNNXBMFYSA-N 0 1 386.418 3.189 20 0 GGADMN Cc1nn(C)c2ncc(CNc3ccccc3CN3C[C@H](C)O[C@@H](C)C3)cc12 ZINC000237779861 1433423244 /nfs/dbraw/zinc/42/32/44/1433423244.db2.gz HPCOIJDSFBBPPV-HOTGVXAUSA-N 0 1 379.508 3.498 20 0 GGADMN O=C(CCNCc1sc(Sc2ccccc2)nc1Cl)N1CCOCC1 ZINC000237792568 1433424318 /nfs/dbraw/zinc/42/43/18/1433424318.db2.gz UWAQPUUYVYVWKQ-UHFFFAOYSA-N 0 1 397.953 3.286 20 0 GGADMN Cn1ccc(N2CCC[C@H](NCc3cccc(Oc4ccccc4)c3)C2=O)n1 ZINC000237808319 1433425127 /nfs/dbraw/zinc/42/51/27/1433425127.db2.gz SNLFQOGYUBFWQY-FQEVSTJZSA-N 0 1 376.460 3.498 20 0 GGADMN Cn1ccc(N2CCC[C@@H](NCc3cccc(Oc4ccccc4)c3)C2=O)n1 ZINC000237807149 1433425217 /nfs/dbraw/zinc/42/52/17/1433425217.db2.gz SNLFQOGYUBFWQY-HXUWFJFHSA-N 0 1 376.460 3.498 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1Cc2ccccc2CN1 ZINC000237813612 1433425436 /nfs/dbraw/zinc/42/54/36/1433425436.db2.gz GEULKTSFRLPUSR-FQEVSTJZSA-N 0 1 384.907 3.219 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCCc1ccc(Cl)cc1 ZINC000237838538 1433427852 /nfs/dbraw/zinc/42/78/52/1433427852.db2.gz OTIMUYOCNINZSA-NRFANRHFSA-N 0 1 396.922 3.204 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000237843707 1433428189 /nfs/dbraw/zinc/42/81/89/1433428189.db2.gz XRZUVIOLKWFQTO-LEWJYISDSA-N 0 1 394.906 3.258 20 0 GGADMN N[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237848836 1433428585 /nfs/dbraw/zinc/42/85/85/1433428585.db2.gz FXLXTKXVNRVFFA-PKOBYXMFSA-N 0 1 375.875 3.260 20 0 GGADMN Cc1ccc(CNC(=O)[C@H]2NCCc3ccccc32)c(OC[C@H]2CCCO2)c1 ZINC000237873512 1433430479 /nfs/dbraw/zinc/43/04/79/1433430479.db2.gz YSXJEQJEAYJPML-KNQAVFIVSA-N 0 1 380.488 3.056 20 0 GGADMN O=C(CNCc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000237881982 1433431126 /nfs/dbraw/zinc/43/11/26/1433431126.db2.gz LUGNQPDUUKJNRA-UHFFFAOYSA-N 0 1 377.410 3.144 20 0 GGADMN Cc1ccc([C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])N2CCOCC2)o1 ZINC000237883134 1433431508 /nfs/dbraw/zinc/43/15/08/1433431508.db2.gz ZTCZLAOFENFCCB-MRXNPFEDSA-N 0 1 395.297 3.219 20 0 GGADMN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1Cc2ccccc2CN1 ZINC000237900034 1433432808 /nfs/dbraw/zinc/43/28/08/1433432808.db2.gz VVPYTYQRQFSBQG-HXUWFJFHSA-N 0 1 393.874 3.203 20 0 GGADMN O=C(CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCOCC1 ZINC000237908721 1433433651 /nfs/dbraw/zinc/43/36/51/1433433651.db2.gz LYZSEXFLLVVMQD-UHFFFAOYSA-N 0 1 399.438 3.167 20 0 GGADMN Cc1ccc(N2CC[C@H](NCc3ccc(OC[C@H]4CCCO4)cc3)C2=O)cc1 ZINC000237918174 1433434492 /nfs/dbraw/zinc/43/44/92/1433434492.db2.gz QTSNVFWHRQOBPF-YADHBBJMSA-N 0 1 380.488 3.448 20 0 GGADMN [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000237970455 1433437478 /nfs/dbraw/zinc/43/74/78/1433437478.db2.gz QPZLVDLELWBPHA-GXTWGEPZSA-N 0 1 393.896 3.207 20 0 GGADMN [NH3+]CCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000238006938 1433439047 /nfs/dbraw/zinc/43/90/47/1433439047.db2.gz IUUZVSPUJGYXOV-UHFFFAOYSA-N 0 1 375.494 3.335 20 0 GGADMN O=S(=O)(CCNCc1cccc(OC2CCCC2)c1)NCc1ccccc1 ZINC000238020669 1433439429 /nfs/dbraw/zinc/43/94/29/1433439429.db2.gz HVQJPEDVHXOOLA-UHFFFAOYSA-N 0 1 388.533 3.217 20 0 GGADMN N[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC000238018890 1433439594 /nfs/dbraw/zinc/43/95/94/1433439594.db2.gz PPFBDFWNFUAWRN-MJGOQNOKSA-N 0 1 375.875 3.432 20 0 GGADMN N[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000238037901 1433440342 /nfs/dbraw/zinc/44/03/42/1433440342.db2.gz GUSNEGPGYDAWKS-YJBOKZPZSA-N 0 1 375.419 3.073 20 0 GGADMN O=C(NCCCc1nc(-c2ccncc2)cs1)[C@@H]1NCCc2ccccc21 ZINC000238071092 1433441762 /nfs/dbraw/zinc/44/17/62/1433441762.db2.gz ORQVRXMTOUMJEN-HXUWFJFHSA-N 0 1 378.501 3.141 20 0 GGADMN O=C(CCc1ccc(NC(=O)[C@@H]2NCCc3ccccc32)cc1)N1CCCC1 ZINC000238087973 1433442512 /nfs/dbraw/zinc/44/25/12/1433442512.db2.gz GTOYGSJDBYMEOG-JOCHJYFZSA-N 0 1 377.488 3.067 20 0 GGADMN O=C(NCc1csc(CCc2ccccc2)n1)[C@@H]1Cc2ccccc2CN1 ZINC000238091393 1433442895 /nfs/dbraw/zinc/44/28/95/1433442895.db2.gz GXBBYVKPRFAMQM-FQEVSTJZSA-N 0 1 377.513 3.259 20 0 GGADMN C#CCCOc1ccc(CN[C@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000238114577 1433443161 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MMXOFGBVLJRDRW-NSHGMRRFSA-N 0 1 387.568 3.299 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245390554 1433458035 /nfs/dbraw/zinc/45/80/35/1433458035.db2.gz MIPRUAIAKODGFJ-BZSNNMDCSA-N 0 1 391.581 3.428 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000245394136 1433459142 /nfs/dbraw/zinc/45/91/42/1433459142.db2.gz XHQSKASDFKUOQH-CTNGQTDRSA-N 0 1 387.568 3.171 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000245399457 1433460361 /nfs/dbraw/zinc/46/03/61/1433460361.db2.gz WNOYLYVXSZBSMX-SLYNCCJLSA-N 0 1 381.524 3.441 20 0 GGADMN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245399868 1433460500 /nfs/dbraw/zinc/46/05/00/1433460500.db2.gz XEDQKAZFALWNEN-AZUAARDMSA-N 0 1 395.503 3.297 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)c(C)o1 ZINC000245406504 1433461833 /nfs/dbraw/zinc/46/18/33/1433461833.db2.gz XNJZUJOTDHHUGJ-BFYDXBDKSA-N 0 1 389.540 3.269 20 0 GGADMN C[C@H]1CCCCN1C(=O)CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000245408504 1433462073 /nfs/dbraw/zinc/46/20/73/1433462073.db2.gz HOWPLQUOPLJJLX-IRXDYDNUSA-N 0 1 390.503 3.060 20 0 GGADMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245408163 1433462244 /nfs/dbraw/zinc/46/22/44/1433462244.db2.gz FYXSBQARPZUSRD-RYUDHWBXSA-N 0 1 382.386 3.404 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)N3CCCC[C@H]3C)C2)cc1 ZINC000245408394 1433462304 /nfs/dbraw/zinc/46/23/04/1433462304.db2.gz GZFHUEPYAPPRDI-RTBURBONSA-N 0 1 386.540 3.230 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245412068 1433462580 /nfs/dbraw/zinc/46/25/80/1433462580.db2.gz ZUMJPGIJNZOKDT-SJORKVTESA-N 0 1 381.476 3.393 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000245416425 1433463897 /nfs/dbraw/zinc/46/38/97/1433463897.db2.gz FBXOYOWCWWPTSN-XMSQKQJNSA-N 0 1 396.535 3.466 20 0 GGADMN O=C(CN(CCCO)[C@H]1CCCc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000245421257 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JQUDMMDPSCSDBY-RYLXDESZSA-N 0 1 376.516 3.495 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)N(C)C)c1 ZINC000245471654 1433474545 /nfs/dbraw/zinc/47/45/45/1433474545.db2.gz OFHDDTFLCUIIRP-HKBOAZHASA-N 0 1 383.492 3.127 20 0 GGADMN CCOc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000245473664 1433474755 /nfs/dbraw/zinc/47/47/55/1433474755.db2.gz QFELFWOIHPPEBD-NGUAWCRTSA-N 0 1 391.533 3.255 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000245481157 1433475415 /nfs/dbraw/zinc/47/54/15/1433475415.db2.gz CDWWDFVYAQVCKV-HOTGVXAUSA-N 0 1 390.915 3.495 20 0 GGADMN COc1ccc(COC[C@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000245479011 1433475687 /nfs/dbraw/zinc/47/56/87/1433475687.db2.gz WAYCTYAONGZEBD-OIXWISFJSA-N 0 1 391.533 3.003 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1CC[C@H](O)CC1 ZINC000245513227 1433479631 /nfs/dbraw/zinc/47/96/31/1433479631.db2.gz OMBHBWHIWJNDBG-IYARVYRRSA-N 0 1 379.932 3.155 20 0 GGADMN O=C1[C@@H](N2CCC[C@@H](Cn3ccnn3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245528607 1433481311 /nfs/dbraw/zinc/48/13/11/1433481311.db2.gz BNOLKIGKGCWPLZ-DYVFJYSZSA-N 0 1 394.306 3.102 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000245543708 1433483061 /nfs/dbraw/zinc/48/30/61/1433483061.db2.gz AKBOIZUVWMMMAT-JKSUJKDBSA-N 0 1 393.409 3.462 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)CN(C)C[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000245547242 1433483306 /nfs/dbraw/zinc/48/33/06/1433483306.db2.gz MPQPHXXGMWBBLJ-IFMALSPDSA-N 0 1 384.520 3.290 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@H]1CCCC[C@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000245545678 1433483313 /nfs/dbraw/zinc/48/33/13/1433483313.db2.gz LUUKJGBJXVYAON-YSVLISHTSA-N 0 1 388.430 3.245 20 0 GGADMN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245551931 1433483917 /nfs/dbraw/zinc/48/39/17/1433483917.db2.gz CBBSAAUVZJXVCJ-RXVVDRJESA-N 0 1 388.471 3.043 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000245553969 1433484314 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O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc(Cl)c1F ZINC000245583325 1433488045 /nfs/dbraw/zinc/48/80/45/1433488045.db2.gz KMFSHYKKCPSSJC-YJBOKZPZSA-N 0 1 376.859 3.092 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(Cl)c1F ZINC000245583325 1433488046 /nfs/dbraw/zinc/48/80/46/1433488046.db2.gz KMFSHYKKCPSSJC-YJBOKZPZSA-N 0 1 376.859 3.092 20 0 GGADMN CC[C@H](CSC)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245583477 1433488057 /nfs/dbraw/zinc/48/80/57/1433488057.db2.gz ILIIEJXRDMYEAN-SJORKVTESA-N 0 1 378.538 3.195 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CCN1C[C@H](C)O ZINC000245587029 1433488414 /nfs/dbraw/zinc/48/84/14/1433488414.db2.gz JSTLTGLBENRIPU-HKUYNNGSSA-N 0 1 399.539 3.106 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H]3CCN(c4ccccc4)C3=O)ccc2NC1=O ZINC000245588944 1433488566 /nfs/dbraw/zinc/48/85/66/1433488566.db2.gz ATHWQCRNXVDFOW-JVPBZIDWSA-N 0 1 379.460 3.252 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@H]2CCCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245593723 1433488913 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379.570 3.312 20 0 GGADMN Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)[C@@H](n4ccnc4)C3)c2C)no1 ZINC000245606644 1433490336 /nfs/dbraw/zinc/49/03/36/1433490336.db2.gz NKMHJYAAGGWQJN-KUHUBIRLSA-N 0 1 381.480 3.353 20 0 GGADMN COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245607867 1433490625 /nfs/dbraw/zinc/49/06/25/1433490625.db2.gz ZNJPBXIDEVNKFJ-QRVBRYPASA-N 0 1 391.556 3.015 20 0 GGADMN CC(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C ZINC000245614067 1433491097 /nfs/dbraw/zinc/49/10/97/1433491097.db2.gz KWQVEPCYGIUTAN-UGKGYDQZSA-N 0 1 395.503 3.202 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245615808 1433491347 /nfs/dbraw/zinc/49/13/47/1433491347.db2.gz CVVCISFPNYVTJK-OALUTQOASA-N 0 1 383.517 3.299 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245615808 1433491352 /nfs/dbraw/zinc/49/13/52/1433491352.db2.gz CVVCISFPNYVTJK-OALUTQOASA-N 0 1 383.517 3.299 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245622266 1433491890 /nfs/dbraw/zinc/49/18/90/1433491890.db2.gz FMFKYCPJOVDEHR-PMACEKPBSA-N 0 1 379.504 3.484 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245623243 1433492209 /nfs/dbraw/zinc/49/22/09/1433492209.db2.gz FTDCDCZRFJHVEV-SFTDATJTSA-N 0 1 395.503 3.366 20 0 GGADMN CN1CC[C@H](CNC(=O)NC2(CO)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245644776 1433494861 /nfs/dbraw/zinc/49/48/61/1433494861.db2.gz AWWANLIRTOWALN-RHSMWYFYSA-N 0 1 383.895 3.076 20 0 GGADMN C[C@H](O)C1CCN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245653040 1433495871 /nfs/dbraw/zinc/49/58/71/1433495871.db2.gz CVRXDOWXNWWYDS-AXHNFQJDSA-N 0 1 397.922 3.274 20 0 GGADMN CCN(CC)C(=O)CCC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245654413 1433496176 /nfs/dbraw/zinc/49/61/76/1433496176.db2.gz DENGSHFNXSXJLU-QRWLVFNGSA-N 0 1 397.922 3.237 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CCO1 ZINC000245663266 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JZVHRLBXWNXIAG-UCLAIMLFSA-N 0 1 385.911 3.178 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245681082 1433498778 /nfs/dbraw/zinc/49/87/78/1433498778.db2.gz JZVHRLBXWNXIAG-UCLAIMLFSA-N 0 1 385.911 3.178 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000245683919 1433499075 /nfs/dbraw/zinc/49/90/75/1433499075.db2.gz GTQCAJWVDXFGQU-CLCXKQKWSA-N 0 1 381.476 3.152 20 0 GGADMN CC[C@H](C)[C@H](O)CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245691544 1433500548 /nfs/dbraw/zinc/50/05/48/1433500548.db2.gz LUUQYQKMHJNZRN-KYABYICQSA-N 0 1 385.911 3.178 20 0 GGADMN CC[C@H](C)[C@H](O)CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245691539 1433500579 /nfs/dbraw/zinc/50/05/79/1433500579.db2.gz LUUQYQKMHJNZRN-GGBBIFEXSA-N 0 1 385.911 3.178 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000245691641 1433500860 /nfs/dbraw/zinc/50/08/60/1433500860.db2.gz AKQBMRGVUKWVBF-SUMWQHHRSA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000245691641 1433500862 /nfs/dbraw/zinc/50/08/62/1433500862.db2.gz AKQBMRGVUKWVBF-SUMWQHHRSA-N 0 1 381.480 3.091 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000245693726 1433501088 /nfs/dbraw/zinc/50/10/88/1433501088.db2.gz BYJRYYINKXTPKB-SBUREZEXSA-N 0 1 381.472 3.301 20 0 GGADMN C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245694225 1433501393 /nfs/dbraw/zinc/50/13/93/1433501393.db2.gz MHMQSOUMJYVCCT-ATZCPQFDSA-N 0 1 385.911 3.178 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 ZINC000245694164 1433501508 /nfs/dbraw/zinc/50/15/08/1433501508.db2.gz XUIRPNUNIGCABS-DOTOQJQBSA-N 0 1 392.286 3.494 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc(O)cc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245698460 1433501773 /nfs/dbraw/zinc/50/17/73/1433501773.db2.gz MWXOFHSKGBJEHK-KZULUSFZSA-N 0 1 378.831 3.313 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2ccc(O)cc2O)[C@H]1c1ccc(Cl)c(F)c1 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CCC[C@@H]1CN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)CCN1CCOC ZINC000245966297 1433551917 /nfs/dbraw/zinc/55/19/17/1433551917.db2.gz VODVLQHUVXBWEZ-WOJBJXKFSA-N 0 1 395.975 3.340 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000245974699 1433552560 /nfs/dbraw/zinc/55/25/60/1433552560.db2.gz WVFZGDOJYMWKDO-DUXKGJEZSA-N 0 1 396.539 3.287 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245971432 1433552629 /nfs/dbraw/zinc/55/26/29/1433552629.db2.gz AQMXKYZNZJJOCC-RWMBFGLXSA-N 0 1 399.322 3.491 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C12CCC2 ZINC000245985427 1433553732 /nfs/dbraw/zinc/55/37/32/1433553732.db2.gz ZPNYOYVJZHFSRO-NSISKUIASA-N 0 1 386.540 3.254 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000246008488 1433556983 /nfs/dbraw/zinc/55/69/83/1433556983.db2.gz HRSFZYQLBMGUHB-KSZLIROESA-N 0 1 392.563 3.312 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/55/99/56/1433559956.db2.gz MSKSDCBYXIRSCR-BMGDILEWSA-N 0 1 381.879 3.189 20 0 GGADMN C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000246042482 1433560635 /nfs/dbraw/zinc/56/06/35/1433560635.db2.gz AJTWMDWXCWUGQG-IHETXDGRSA-N 0 1 384.442 3.424 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000246042482 1433560640 /nfs/dbraw/zinc/56/06/40/1433560640.db2.gz AJTWMDWXCWUGQG-IHETXDGRSA-N 0 1 384.442 3.424 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CCN1CCOC ZINC000246052863 1433562048 /nfs/dbraw/zinc/56/20/48/1433562048.db2.gz XMPOONAODOGAKC-OTWHNJEPSA-N 0 1 393.597 3.233 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000246057696 1433562333 /nfs/dbraw/zinc/56/23/33/1433562333.db2.gz YAJVBCGFRGUPGP-QUCCMNQESA-N 0 1 377.492 3.128 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CCN1CCOC ZINC000246066999 1433563952 /nfs/dbraw/zinc/56/39/52/1433563952.db2.gz YZWPHDYYKOIAOA-SVFBPWRDSA-N 0 1 387.568 3.176 20 0 GGADMN CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cccnc3)c2C1 ZINC000246071550 1433564755 /nfs/dbraw/zinc/56/47/55/1433564755.db2.gz CPXKWOWDCCPDNJ-HZPDHXFCSA-N 0 1 380.492 3.258 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cccnc3)c2C1 ZINC000246071550 1433564758 /nfs/dbraw/zinc/56/47/58/1433564758.db2.gz CPXKWOWDCCPDNJ-HZPDHXFCSA-N 0 1 380.492 3.258 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CN2CCOC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000246081654 1433565860 /nfs/dbraw/zinc/56/58/60/1433565860.db2.gz TZWCCJNHJMEYLJ-RLLQIKCJSA-N 0 1 390.524 3.068 20 0 GGADMN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000246083470 1433566043 /nfs/dbraw/zinc/56/60/43/1433566043.db2.gz HSOIIPZIBQFQLM-RTBURBONSA-N 0 1 387.572 3.131 20 0 GGADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246094822 1433567964 /nfs/dbraw/zinc/56/79/64/1433567964.db2.gz XELAHWNKYTVYQY-FHWLQOOXSA-N 0 1 388.556 3.293 20 0 GGADMN CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000246099800 1433568450 /nfs/dbraw/zinc/56/84/50/1433568450.db2.gz HRUYRAPHTUQNIP-VQTJNVASSA-N 0 1 381.524 3.231 20 0 GGADMN CCn1cnnc1[C@H]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000246099800 1433568452 /nfs/dbraw/zinc/56/84/52/1433568452.db2.gz HRUYRAPHTUQNIP-VQTJNVASSA-N 0 1 381.524 3.231 20 0 GGADMN C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@@H]1C ZINC000246102300 1433568752 /nfs/dbraw/zinc/56/87/52/1433568752.db2.gz NFYHCOLJBMSENZ-HOTGVXAUSA-N 0 1 394.947 3.249 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@@H]1C ZINC000246102300 1433568754 /nfs/dbraw/zinc/56/87/54/1433568754.db2.gz NFYHCOLJBMSENZ-HOTGVXAUSA-N 0 1 394.947 3.249 20 0 GGADMN O=C(CN1CCS[C@@H]2CCCC[C@H]21)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246105006 1433569264 /nfs/dbraw/zinc/56/92/64/1433569264.db2.gz IXLUNWHGGIKHID-GUDVDZBRSA-N 0 1 378.513 3.086 20 0 GGADMN O=C(CN1CCS[C@@H]2CCCC[C@H]21)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000246104995 1433569328 /nfs/dbraw/zinc/56/93/28/1433569328.db2.gz IXLUNWHGGIKHID-CEXWTWQISA-N 0 1 378.513 3.086 20 0 GGADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[n-]2)C1 ZINC000246106772 1433569707 /nfs/dbraw/zinc/56/97/07/1433569707.db2.gz MRQDWBHJWPBGAN-RTBURBONSA-N 0 1 381.524 3.441 20 0 GGADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[n-]2)C1 ZINC000246106772 1433569710 /nfs/dbraw/zinc/56/97/10/1433569710.db2.gz MRQDWBHJWPBGAN-RTBURBONSA-N 0 1 381.524 3.441 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000246114243 1433570582 /nfs/dbraw/zinc/57/05/82/1433570582.db2.gz CNISTRQUFQTUQV-XQBPLPMBSA-N 0 1 388.552 3.345 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCCN([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)n1 ZINC000246115881 1433571022 /nfs/dbraw/zinc/57/10/22/1433571022.db2.gz CSZSQPZXQWAJJE-LPHOPBHVSA-N 0 1 387.915 3.066 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cccs1 ZINC000246128261 1433572367 /nfs/dbraw/zinc/57/23/67/1433572367.db2.gz BCQIWIXGZBJPAD-QLFBSQMISA-N 0 1 381.542 3.160 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)N2CCCC2)o1 ZINC000246129111 1433572511 /nfs/dbraw/zinc/57/25/11/1433572511.db2.gz QJZDUCRXBSBOSQ-HOJAQTOUSA-N 0 1 385.508 3.016 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1)c1ccccc1 ZINC000246132928 1433573061 /nfs/dbraw/zinc/57/30/61/1433573061.db2.gz VPTSPTWIWPOBOK-RBBKRZOGSA-N 0 1 382.504 3.472 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000246142145 1433574147 /nfs/dbraw/zinc/57/41/47/1433574147.db2.gz DKEKQKIIZWLYFN-FGTMMUONSA-N 0 1 393.503 3.238 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)NC)ccc21 ZINC000246144841 1433574247 /nfs/dbraw/zinc/57/42/47/1433574247.db2.gz GRSOJEXFYMNVRG-HOTGVXAUSA-N 0 1 394.519 3.455 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)NC)ccc21 ZINC000246144852 1433574278 /nfs/dbraw/zinc/57/42/78/1433574278.db2.gz GRSOJEXFYMNVRG-JKSUJKDBSA-N 0 1 394.519 3.455 20 0 GGADMN 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ZINC000246181524 1433578645 /nfs/dbraw/zinc/57/86/45/1433578645.db2.gz RQMVESXJYLKJGL-RMJJICAUSA-N 0 1 377.573 3.040 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@H](C)N(C)C[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000246195639 1433580701 /nfs/dbraw/zinc/58/07/01/1433580701.db2.gz DONGEWVTJSFHQE-DHSIGJKJSA-N 0 1 389.521 3.239 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000246203863 1433581582 /nfs/dbraw/zinc/58/15/82/1433581582.db2.gz DVPSEGSIVQWFQM-LFGUQSLTSA-N 0 1 387.524 3.454 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246203852 1433581628 /nfs/dbraw/zinc/58/16/28/1433581628.db2.gz DVPSEGSIVQWFQM-HNBVOPMISA-N 0 1 387.524 3.454 20 0 GGADMN CCN(C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(F)c2)C1)CC(F)(F)F ZINC000246214946 1433582578 /nfs/dbraw/zinc/58/25/78/1433582578.db2.gz OKCWLLWEICRZQG-KGLIPLIRSA-N 0 1 375.410 3.359 20 0 GGADMN CCN1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000246214397 1433582608 /nfs/dbraw/zinc/58/26/08/1433582608.db2.gz YKZAMGDYIGQNDX-HUUCEWRRSA-N 0 1 399.366 3.032 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCCC1 ZINC000246217401 1433582966 /nfs/dbraw/zinc/58/29/66/1433582966.db2.gz VQQJIBOFSAMDPR-FMWKFLBASA-N 0 1 399.535 3.089 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCCC1 ZINC000246217408 1433583151 /nfs/dbraw/zinc/58/31/51/1433583151.db2.gz VQQJIBOFSAMDPR-JYRKZWEQSA-N 0 1 399.535 3.089 20 0 GGADMN CC1(C)CN(C[C@@H](O)c2ccc(F)cc2)CC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000246218582 1433583247 /nfs/dbraw/zinc/58/32/47/1433583247.db2.gz OSJJZQYLOBHXLB-NHCUHLMSSA-N 0 1 390.474 3.128 20 0 GGADMN CCOCCO[C@H]1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000246223759 1433583834 /nfs/dbraw/zinc/58/38/34/1433583834.db2.gz DSVDGIUWSURMLI-HMFYCAOWSA-N 0 1 388.552 3.259 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@H](C)C(=O)NCCC(C)C)C2)cc1 ZINC000246225629 1433584085 /nfs/dbraw/zinc/58/40/85/1433584085.db2.gz RWVHIVUDBSCHRG-MOPGFXCFSA-N 0 1 388.556 3.379 20 0 GGADMN CCN(C[C@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1)CC(F)(F)F ZINC000246230350 1433584621 /nfs/dbraw/zinc/58/46/21/1433584621.db2.gz QEOLUFOAFQBQCV-CRAIPNDOSA-N 0 1 383.458 3.212 20 0 GGADMN CNC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000246237738 1433585186 /nfs/dbraw/zinc/58/51/86/1433585186.db2.gz RAHIRDYEKKFTAD-HZPDHXFCSA-N 0 1 385.533 3.479 20 0 GGADMN CO[C@@H]1CC[C@H]2OCCN(CCOc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000246236117 1433585201 /nfs/dbraw/zinc/58/52/01/1433585201.db2.gz FZXIGFYVYGDLEW-IXDOHACOSA-N 0 1 375.387 3.232 20 0 GGADMN Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000246246105 1433585997 /nfs/dbraw/zinc/58/59/97/1433585997.db2.gz SCWTZQJKXFJOTJ-TZIWHRDSSA-N 0 1 378.472 3.166 20 0 GGADMN Cc1ccc(N2C(=O)C[C@@H](N3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000246246105 1433585999 /nfs/dbraw/zinc/58/59/99/1433585999.db2.gz SCWTZQJKXFJOTJ-TZIWHRDSSA-N 0 1 378.472 3.166 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000246260171 1433587271 /nfs/dbraw/zinc/58/72/71/1433587271.db2.gz YEXHMSWBLYUXGO-BRWVUGGUSA-N 0 1 391.512 3.226 20 0 GGADMN C[C@@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1c(F)cccc1Cl ZINC000246262025 1433587374 /nfs/dbraw/zinc/58/73/74/1433587374.db2.gz UYMHZXBKRZRILI-UONOGXRCSA-N 0 1 383.895 3.435 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000246263968 1433587773 /nfs/dbraw/zinc/58/77/73/1433587773.db2.gz VCQSVAVQYQFQHK-IXDOHACOSA-N 0 1 377.495 3.372 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCN(C)CC1 ZINC000246284351 1433589665 /nfs/dbraw/zinc/58/96/65/1433589665.db2.gz TXGQTVJLMHGUSB-ZRBLBEILSA-N 0 1 379.548 3.332 20 0 GGADMN COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000246287552 1433590097 /nfs/dbraw/zinc/59/00/97/1433590097.db2.gz BIGOVJRYCZKPET-IRLDBZIGSA-N 0 1 398.528 3.107 20 0 GGADMN COC(=O)[C@@]1(C)CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000246287552 1433590100 /nfs/dbraw/zinc/59/01/00/1433590100.db2.gz BIGOVJRYCZKPET-IRLDBZIGSA-N 0 1 398.528 3.107 20 0 GGADMN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246292244 1433590344 /nfs/dbraw/zinc/59/03/44/1433590344.db2.gz AYNCLMJYFMKLJP-JKSUJKDBSA-N 0 1 385.512 3.031 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000246291524 1433590679 /nfs/dbraw/zinc/59/06/79/1433590679.db2.gz ILTOSCZDLPVLRY-IERDGZPVSA-N 0 1 394.519 3.276 20 0 GGADMN CC(=O)c1csc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246310419 1433593139 /nfs/dbraw/zinc/59/31/39/1433593139.db2.gz GCIRGMDRGOYFLG-IBGZPJMESA-N 0 1 385.533 3.059 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000246332772 1433596179 /nfs/dbraw/zinc/59/61/79/1433596179.db2.gz SYRUGPFLKMCQFA-PKOBYXMFSA-N 0 1 376.497 3.328 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000246336910 1433596674 /nfs/dbraw/zinc/59/66/74/1433596674.db2.gz HIPADZOTDYJFLS-QZTJIDSGSA-N 0 1 384.524 3.044 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000246336910 1433596677 /nfs/dbraw/zinc/59/66/77/1433596677.db2.gz HIPADZOTDYJFLS-QZTJIDSGSA-N 0 1 384.524 3.044 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000246339099 1433596980 /nfs/dbraw/zinc/59/69/80/1433596980.db2.gz BQAMTRGRXRLNOS-PKOBYXMFSA-N 0 1 389.540 3.395 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000246341285 1433597366 /nfs/dbraw/zinc/59/73/66/1433597366.db2.gz IATLFVZOTGPLNC-VFNWGFHPSA-N 0 1 388.458 3.466 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246347940 1433598722 /nfs/dbraw/zinc/59/87/22/1433598722.db2.gz MWSWKTSAHNRECI-BBWFWOEESA-N 0 1 381.561 3.116 20 0 GGADMN C[C@@H]1OCC[C@H]1N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000246351677 1433599402 /nfs/dbraw/zinc/59/94/02/1433599402.db2.gz HSMXJPBYSQQYKK-GESALYCCSA-N 0 1 381.444 3.225 20 0 GGADMN C[C@@H]1OCC[C@@H]1N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000246351684 1433599464 /nfs/dbraw/zinc/59/94/64/1433599464.db2.gz HSMXJPBYSQQYKK-YXKWSERDSA-N 0 1 381.444 3.225 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000246367568 1433601923 /nfs/dbraw/zinc/60/19/23/1433601923.db2.gz QSYHARWOFMBXRG-SOLBZPMBSA-N 0 1 381.561 3.307 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C[C@@H]1CCC[C@H]1O ZINC000246397941 1433607049 /nfs/dbraw/zinc/60/70/49/1433607049.db2.gz HSLXXCGMKKSNBQ-USXIJHARSA-N 0 1 387.505 3.112 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc2NC1=O ZINC000246420915 1433609997 /nfs/dbraw/zinc/60/99/97/1433609997.db2.gz SMEMUZVHYZDBTH-RKVPGOIHSA-N 0 1 375.513 3.481 20 0 GGADMN CC(C)CCO[C@@H]1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246422269 1433610304 /nfs/dbraw/zinc/61/03/04/1433610304.db2.gz KSIVOMRTWFIHQS-ZIFCJYIRSA-N 0 1 390.524 3.161 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000246425670 1433610812 /nfs/dbraw/zinc/61/08/12/1433610812.db2.gz IJHWDOSLMZPNFN-OTNPHJDUSA-N 0 1 398.551 3.254 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@H](O)C2)N2CCCCC2)cc1 ZINC000246462111 1433616139 /nfs/dbraw/zinc/61/61/39/1433616139.db2.gz VBFUKZZONNTTQT-QFUCXCTJSA-N 0 1 389.540 3.073 20 0 GGADMN COc1cccc(CN(C)C(=O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246465374 1433616616 /nfs/dbraw/zinc/61/66/16/1433616616.db2.gz GKYFUTJXEXWADR-IEBWSBKVSA-N 0 1 388.533 3.303 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000246463988 1433616688 /nfs/dbraw/zinc/61/66/88/1433616688.db2.gz JGPFPHLCGJNSLI-UGKGYDQZSA-N 0 1 399.579 3.448 20 0 GGADMN CCCOc1cccc(CN2CCCN(Cc3nc([C@H](C)OC)no3)CC2)c1 ZINC000246470980 1433617833 /nfs/dbraw/zinc/61/78/33/1433617833.db2.gz OKUFQFRKBSAJPO-KRWDZBQOSA-N 0 1 388.512 3.274 20 0 GGADMN CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000246472835 1433618140 /nfs/dbraw/zinc/61/81/40/1433618140.db2.gz CUKKYVWPZJQXKJ-ZIAGYGMSSA-N 0 1 397.445 3.183 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccc(F)cc1 ZINC000246476627 1433618559 /nfs/dbraw/zinc/61/85/59/1433618559.db2.gz XDAYYRIHWKRYRM-XGHQBKJUSA-N 0 1 392.515 3.442 20 0 GGADMN CCCCNC(=O)NC(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246476997 1433618762 /nfs/dbraw/zinc/61/87/62/1433618762.db2.gz HGFLDUXCWPZPKM-HZPDHXFCSA-N 0 1 381.542 3.042 20 0 GGADMN COc1cc(N[C@@H]2CCCN([C@H](C)C(=O)NC3CCCC3)C2)cc(OC)c1 ZINC000246479873 1433619205 /nfs/dbraw/zinc/61/92/05/1433619205.db2.gz DEPTYKBZGYSUDR-NVXWUHKLSA-N 0 1 375.513 3.027 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000246480179 1433619221 /nfs/dbraw/zinc/61/92/21/1433619221.db2.gz FWSLVYZSGHXGDI-ZYSHUDEJSA-N 0 1 379.932 3.422 20 0 GGADMN CO[C@H](CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C ZINC000246482419 1433619525 /nfs/dbraw/zinc/61/95/25/1433619525.db2.gz VUMNEVMKIGAWBY-MBOZVWFJSA-N 0 1 391.556 3.156 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@H](CO)C(C)(C)C ZINC000246486585 1433619746 /nfs/dbraw/zinc/61/97/46/1433619746.db2.gz GVRDSSGJBYHFAB-CRAIPNDOSA-N 0 1 389.521 3.358 20 0 GGADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246492323 1433620488 /nfs/dbraw/zinc/62/04/88/1433620488.db2.gz ASHHNGQMAGDRSO-WIYYLYMNSA-N 0 1 375.476 3.370 20 0 GGADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246492323 1433620491 /nfs/dbraw/zinc/62/04/91/1433620491.db2.gz ASHHNGQMAGDRSO-WIYYLYMNSA-N 0 1 375.476 3.370 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000246511965 1433623455 /nfs/dbraw/zinc/62/34/55/1433623455.db2.gz QQTGXFHVOKWVCR-XLIONFOSSA-N 0 1 379.504 3.182 20 0 GGADMN C[C@H](C(=O)NCc1cccs1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246512625 1433623838 /nfs/dbraw/zinc/62/38/38/1433623838.db2.gz IHWLIVKNDDXDEV-DKSSEZFCSA-N 0 1 376.497 3.480 20 0 GGADMN CS[C@@H]1CCCCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000246519189 1433624103 /nfs/dbraw/zinc/62/41/03/1433624103.db2.gz IQYOGOSKBKIEMD-FUHIMQAGSA-N 0 1 391.581 3.456 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000246522391 1433624885 /nfs/dbraw/zinc/62/48/85/1433624885.db2.gz VUFXPVGOXMLQHL-ACIOBRDBSA-N 0 1 396.531 3.062 20 0 GGADMN CN(C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000246529292 1433625891 /nfs/dbraw/zinc/62/58/91/1433625891.db2.gz CDMILBCRDVTUSW-DLBZAZTESA-N 0 1 398.334 3.151 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000246530637 1433626307 /nfs/dbraw/zinc/62/63/07/1433626307.db2.gz JGRCVHBCYSJZGE-XWTMOSNGSA-N 0 1 381.561 3.401 20 0 GGADMN COc1ccc(CN(C(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)C2CC2)cc1 ZINC000246534274 1433626712 /nfs/dbraw/zinc/62/67/12/1433626712.db2.gz JJGVWPUFZAATDC-TZIWHRDSSA-N 0 1 398.503 3.367 20 0 GGADMN COc1cccc(COC[C@@H](O)CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000246536539 1433627138 /nfs/dbraw/zinc/62/71/38/1433627138.db2.gz CTMKGJZPFYYXAJ-PKOBYXMFSA-N 0 1 391.895 3.379 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](Cn2ccnn2)C1)c1cccc2ccccc21 ZINC000246540272 1433628010 /nfs/dbraw/zinc/62/80/10/1433628010.db2.gz CZBIPMHZUUKREF-ZWKOTPCHSA-N 0 1 377.492 3.021 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246542714 1433628393 /nfs/dbraw/zinc/62/83/93/1433628393.db2.gz BRSMVKPCHIVFGB-SJORKVTESA-N 0 1 379.932 3.020 20 0 GGADMN COc1cc(-c2noc(CN3CC[C@H]4OCCC[C@H]4C3)n2)ccc1OC(F)F ZINC000246551271 1433629792 /nfs/dbraw/zinc/62/97/92/1433629792.db2.gz GWXBVXXXLLRRJV-UONOGXRCSA-N 0 1 395.406 3.348 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000246557654 1433630760 /nfs/dbraw/zinc/63/07/60/1433630760.db2.gz HBEJXSBBMPUCJA-YNTHAXTASA-N 0 1 391.581 3.030 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246557635 1433631092 /nfs/dbraw/zinc/63/10/92/1433631092.db2.gz HBEJXSBBMPUCJA-SWOWEMQBSA-N 0 1 391.581 3.030 20 0 GGADMN C[C@H](NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000246561357 1433631508 /nfs/dbraw/zinc/63/15/08/1433631508.db2.gz KTAZZFRWVBFEKU-AVRDEDQJSA-N 0 1 396.535 3.131 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246570645 1433632826 /nfs/dbraw/zinc/63/28/26/1433632826.db2.gz VLPPESAIERVMNF-BHIYHBOVSA-N 0 1 392.565 3.460 20 0 GGADMN C[C@H](OC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000246599770 1433637803 /nfs/dbraw/zinc/63/78/03/1433637803.db2.gz KJVNTADOWCOTID-DXBFQKDVSA-N 0 1 389.761 3.278 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC[C@@H](c4nnc5ccccn54)C3)C2=O)cc1 ZINC000246599280 1433637887 /nfs/dbraw/zinc/63/78/87/1433637887.db2.gz GDMNKAXSHMOXKS-MJGOQNOKSA-N 0 1 375.476 3.023 20 0 GGADMN C[C@H](C[C@H](O)c1cccs1)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000246605993 1433638726 /nfs/dbraw/zinc/63/87/26/1433638726.db2.gz PGEQQNNGEKZDKY-XYPHTWIQSA-N 0 1 379.501 3.301 20 0 GGADMN 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YOVSXHNUBZAKLB-SJORKVTESA-N 0 1 388.487 3.289 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246709456 1433653494 /nfs/dbraw/zinc/65/34/94/1433653494.db2.gz NQGYSHFVPIJMGI-NVXWUHKLSA-N 0 1 386.496 3.435 20 0 GGADMN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000246711280 1433653528 /nfs/dbraw/zinc/65/35/28/1433653528.db2.gz GZMBZCUCHMPMQB-NFAWXSAZSA-N 0 1 382.439 3.200 20 0 GGADMN C[C@H](C[C@H](O)c1cccs1)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000246712670 1433653955 /nfs/dbraw/zinc/65/39/55/1433653955.db2.gz YBNDLJPRTQGNHO-GJYPPUQNSA-N 0 1 387.549 3.306 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000246715660 1433654429 /nfs/dbraw/zinc/65/44/29/1433654429.db2.gz NTPAGVPJNLKTKN-ZMSDIMECSA-N 0 1 387.505 3.254 20 0 GGADMN COc1ccccc1N1C(=O)C[C@@H](N2CC[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC000246720694 1433655000 /nfs/dbraw/zinc/65/50/00/1433655000.db2.gz IEGVPRIKOMTCLW-QFBILLFUSA-N 0 1 382.435 3.031 20 0 GGADMN 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CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000246779628 1433664843 /nfs/dbraw/zinc/66/48/43/1433664843.db2.gz CJIXXUAXIBAABD-PKTZIBPZSA-N 0 1 394.515 3.339 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000246786820 1433666540 /nfs/dbraw/zinc/66/65/40/1433666540.db2.gz QBALWDBJKFZNAD-FHWLQOOXSA-N 0 1 377.573 3.042 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000246808800 1433671047 /nfs/dbraw/zinc/67/10/47/1433671047.db2.gz TUOUFAYQBRCHGU-RHSMWYFYSA-N 0 1 383.330 3.111 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](Cn2ccnn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000246820784 1433673830 /nfs/dbraw/zinc/67/38/30/1433673830.db2.gz UHNYHLVTOKPMLJ-UONOGXRCSA-N 0 1 396.322 3.174 20 0 GGADMN COc1ccc(-c2noc([C@H](C)N3CCC[C@@H](C(=O)NCC4CC4)C3)n2)cc1 ZINC000246826779 1433674881 /nfs/dbraw/zinc/67/48/81/1433674881.db2.gz SJAFIENJZRNTTK-WMLDXEAASA-N 0 1 384.480 3.044 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000246841983 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BMBGUAASAZLLJX-GDBMZVCRSA-N 0 1 375.436 3.115 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@H](CO)C(C)(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000246909583 1433686043 /nfs/dbraw/zinc/68/60/43/1433686043.db2.gz RXEYWZCHCYSOIU-SWLSCSKDSA-N 0 1 376.419 3.101 20 0 GGADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000246918173 1433686916 /nfs/dbraw/zinc/68/69/16/1433686916.db2.gz WDBFNTJWYMWVBH-HZPDHXFCSA-N 0 1 377.529 3.273 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](c3nnc4ccccn43)C2)CCCN1c1cccc(F)c1 ZINC000246917437 1433686988 /nfs/dbraw/zinc/68/69/88/1433686988.db2.gz CUKOVJNIICEEDD-LPHOPBHVSA-N 0 1 393.466 3.243 20 0 GGADMN Cc1ccc2c(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@H]3CO)c[nH]c2c1 ZINC000246922438 1433687342 /nfs/dbraw/zinc/68/73/42/1433687342.db2.gz WGLWLHFVWWJUDT-CVDCTZTESA-N 0 1 391.515 3.018 20 0 GGADMN CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C[C@H]1CCC[C@H]1O ZINC000247206082 1433691159 /nfs/dbraw/zinc/69/11/59/1433691159.db2.gz YRVZTRBFBSGTGM-JUXOCIIHSA-N 0 1 384.545 3.315 20 0 GGADMN 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C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000249705073 1433849295 /nfs/dbraw/zinc/84/92/95/1433849295.db2.gz AESAVKRYUGKKIP-GUDVDZBRSA-N 0 1 377.573 3.135 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@@H](O)c3c(F)cccc3F)C2)nc1 ZINC000249710673 1433849356 /nfs/dbraw/zinc/84/93/56/1433849356.db2.gz DKJBYVJIMKTIQD-RHSMWYFYSA-N 0 1 375.419 3.052 20 0 GGADMN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000249712780 1433849566 /nfs/dbraw/zinc/84/95/66/1433849566.db2.gz FZLLJYQQPAVFMU-LPHOPBHVSA-N 0 1 384.863 3.134 20 0 GGADMN CCCCN(C)C(=O)C1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000249723979 1433849846 /nfs/dbraw/zinc/84/98/46/1433849846.db2.gz OJLAPDDTBXHVTN-JRBPQWBISA-N 0 1 379.589 3.286 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249728102 1433850015 /nfs/dbraw/zinc/85/00/15/1433850015.db2.gz RJYAXUSDZFUHSG-QFBILLFUSA-N 0 1 379.504 3.405 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H](C(=O)NCC2CC2)C1 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/nfs/dbraw/zinc/89/70/12/1433897012.db2.gz AFCIOYZCJNPXKB-CQSZACIVSA-N 0 1 390.509 3.028 20 0 GGADMN C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000261606769 1433897026 /nfs/dbraw/zinc/89/70/26/1433897026.db2.gz AFCIOYZCJNPXKB-AWEZNQCLSA-N 0 1 390.509 3.028 20 0 GGADMN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261607588 1433897106 /nfs/dbraw/zinc/89/71/06/1433897106.db2.gz AVGCNGPDMLEQEU-FQEVSTJZSA-N 0 1 397.906 3.330 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000261627277 1433897560 /nfs/dbraw/zinc/89/75/60/1433897560.db2.gz BNQGUXUCFJCTOC-LBPRGKRZSA-N 0 1 384.270 3.297 20 0 GGADMN COc1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc(OC)c1OC ZINC000261625286 1433897612 /nfs/dbraw/zinc/89/76/12/1433897612.db2.gz CNVTUIYEJTUVFU-MRXNPFEDSA-N 0 1 390.867 3.153 20 0 GGADMN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261632447 1433897753 /nfs/dbraw/zinc/89/77/53/1433897753.db2.gz CYFRAIDSWYABCT-KSSFIOAISA-N 0 1 386.883 3.023 20 0 GGADMN Cc1c(-c2nc(C3(N)CCCC3)no2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000261627822 1433897758 /nfs/dbraw/zinc/89/77/58/1433897758.db2.gz CHSXISYCBOGHLO-UHFFFAOYSA-N 0 1 385.493 3.271 20 0 GGADMN O=C(c1cccc(N2CCCC2=O)c1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261632444 1433897792 /nfs/dbraw/zinc/89/77/92/1433897792.db2.gz CYELIPBUELSGBJ-LJQANCHMSA-N 0 1 383.879 3.254 20 0 GGADMN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261632445 1433897832 /nfs/dbraw/zinc/89/78/32/1433897832.db2.gz CYFRAIDSWYABCT-KBXCAEBGSA-N 0 1 386.883 3.023 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 ZINC000261635852 1433897983 /nfs/dbraw/zinc/89/79/83/1433897983.db2.gz FFRCQYBVBLWSDZ-HXUWFJFHSA-N 0 1 393.466 3.064 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc(C)c(-c3nc(C4(N)CCC4)no3)c2)c1 ZINC000261673064 1433898652 /nfs/dbraw/zinc/89/86/52/1433898652.db2.gz GJRYSAJALIMMOX-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1)C1CC1 ZINC000261685228 1433898980 /nfs/dbraw/zinc/89/89/80/1433898980.db2.gz HDBRGMQIPQMMKU-LJQANCHMSA-N 0 1 383.879 3.475 20 0 GGADMN Cc1nc2c3ccccc3nn2c(C)c1CCc1nc(C2(N)CCCC2)no1 ZINC000261683644 1433899010 /nfs/dbraw/zinc/89/90/10/1433899010.db2.gz GZXLBVVRCOFKHG-UHFFFAOYSA-N 0 1 376.464 3.396 20 0 GGADMN O=C(CCc1nc(-c2ccoc2)no1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261692035 1433899233 /nfs/dbraw/zinc/89/92/33/1433899233.db2.gz HQACJSZPPULCHX-INIZCTEOSA-N 0 1 386.839 3.089 20 0 GGADMN NC1(c2noc(-c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)n2)CCCC1 ZINC000261716398 1433899746 /nfs/dbraw/zinc/89/97/46/1433899746.db2.gz JFCDRUNVQKIKHI-UHFFFAOYSA-N 0 1 382.321 3.203 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CCc2cc(OC)cc(OC)c2)cc1 ZINC000261722982 1433899868 /nfs/dbraw/zinc/89/98/68/1433899868.db2.gz FESMBRLELUHZQF-JOCHJYFZSA-N 0 1 382.504 3.372 20 0 GGADMN O=C(CCc1nc(-c2ccco2)no1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261726689 1433900271 /nfs/dbraw/zinc/90/02/71/1433900271.db2.gz JPLANWYWQYGEPM-HNNXBMFYSA-N 0 1 386.839 3.089 20 0 GGADMN NC1(c2noc([C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)n2)CCCC1 ZINC000261724923 1433900436 /nfs/dbraw/zinc/90/04/36/1433900436.db2.gz JUGMKJUNHMSKBO-INIZCTEOSA-N 0 1 378.432 3.330 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000261741504 1433900705 /nfs/dbraw/zinc/90/07/05/1433900705.db2.gz MTRDBRUOKYHLJN-JOCHJYFZSA-N 0 1 391.515 3.313 20 0 GGADMN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261742916 1433900958 /nfs/dbraw/zinc/90/09/58/1433900958.db2.gz LFLYMMBEDYGHEY-HUUCEWRRSA-N 0 1 384.480 3.243 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1Br ZINC000261752542 1433901723 /nfs/dbraw/zinc/90/17/23/1433901723.db2.gz PCCDTNHTVYSJMV-ZDUSSCGKSA-N 0 1 383.286 3.273 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cccc(-c3nc(C4(N)CCC4)no3)c2)cc1 ZINC000261747508 1433901774 /nfs/dbraw/zinc/90/17/74/1433901774.db2.gz BXHKQPHROIZPHV-UHFFFAOYSA-N 0 1 384.461 3.184 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000261788927 1433904325 /nfs/dbraw/zinc/90/43/25/1433904325.db2.gz GLEGKUJGBFBBKY-VDZJLULYSA-N 0 1 391.943 3.098 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2cc(-c3nc(C4(N)CCC4)no3)ccc2C)c1 ZINC000261811910 1433905016 /nfs/dbraw/zinc/90/50/16/1433905016.db2.gz PVMZYSZFPCVCID-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000261804546 1433905118 /nfs/dbraw/zinc/90/51/18/1433905118.db2.gz RDLHVBAYUVEVHO-OAQYLSRUSA-N 0 1 397.494 3.071 20 0 GGADMN NC1(c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)Cc4ccccc4-5)C3)n2)CCC1 ZINC000261814285 1433905464 /nfs/dbraw/zinc/90/54/64/1433905464.db2.gz QBVASQJHKDVJGC-MRXNPFEDSA-N 0 1 386.455 3.499 20 0 GGADMN CN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000261829773 1433905799 /nfs/dbraw/zinc/90/57/99/1433905799.db2.gz JARZSXNNODBWQS-UHFFFAOYSA-N 0 1 398.488 3.290 20 0 GGADMN NC1(c2noc(-c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)n2)CCCC1 ZINC000261852529 1433907412 /nfs/dbraw/zinc/90/74/12/1433907412.db2.gz SXSLLPYDRKIVFH-GOSISDBHSA-N 0 1 390.443 3.407 20 0 GGADMN NC1(c2noc(Cc3csc(NC(=O)c4ccccc4F)n3)n2)CCCC1 ZINC000261862581 1433907630 /nfs/dbraw/zinc/90/76/30/1433907630.db2.gz ULDHLLAYXYANJY-UHFFFAOYSA-N 0 1 387.440 3.236 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)C[C@H](C)NC(=O)C2CCCCC2)cc1 ZINC000261858689 1433907893 /nfs/dbraw/zinc/90/78/93/1433907893.db2.gz WFCZRWKPHUOKDL-UWJYYQICSA-N 0 1 385.552 3.197 20 0 GGADMN C[C@@H]1CCc2c(sc3[nH]c(CCc4nc(C5(N)CCC5)no4)nc(=O)c23)C1 ZINC000261868746 1433908153 /nfs/dbraw/zinc/90/81/53/1433908153.db2.gz VBKYKLZGACHHMF-SNVBAGLBSA-N 0 1 385.493 3.028 20 0 GGADMN C[C@H]1CCc2c(sc3[nH]c(CCc4nc(C5(N)CCC5)no4)nc(=O)c23)C1 ZINC000261868739 1433908476 /nfs/dbraw/zinc/90/84/76/1433908476.db2.gz VBKYKLZGACHHMF-JTQLQIEISA-N 0 1 385.493 3.028 20 0 GGADMN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261878712 1433908684 /nfs/dbraw/zinc/90/86/84/1433908684.db2.gz UKCJMKQIAOWJAI-FUHWJXTLSA-N 0 1 387.842 3.078 20 0 GGADMN C[C@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000261880999 1433909342 /nfs/dbraw/zinc/90/93/42/1433909342.db2.gz YZYDJRSHKAJTIH-BTDLBPIBSA-N 0 1 395.301 3.181 20 0 GGADMN NC1(c2noc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2)CCCC1 ZINC000261888072 1433909437 /nfs/dbraw/zinc/90/94/37/1433909437.db2.gz XCHLBNRWMUUWRI-UHFFFAOYSA-N 0 1 390.509 3.029 20 0 GGADMN NC1(c2noc(-c3sccc3S(=O)(=O)NC3CCCCCC3)n2)CCC1 ZINC000261883086 1433909723 /nfs/dbraw/zinc/90/97/23/1433909723.db2.gz WOUSZHXGNIWYAQ-UHFFFAOYSA-N 0 1 396.538 3.137 20 0 GGADMN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(C2(N)CCCC2)no1 ZINC000261904178 1433911031 /nfs/dbraw/zinc/91/10/31/1433911031.db2.gz YXDSOXHMKBOJLF-CQSZACIVSA-N 0 1 390.871 3.437 20 0 GGADMN Cc1nn(C)c2nc(C)cc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)c12 ZINC000261901831 1433911381 /nfs/dbraw/zinc/91/13/81/1433911381.db2.gz WOJWKLPCXYJPDC-QGZVFWFLSA-N 0 1 383.883 3.025 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccccc1Br)c1nc(C2(N)CCC2)no1 ZINC000261905317 1433911908 /nfs/dbraw/zinc/91/19/08/1433911908.db2.gz YZOQVXVAHUBQFP-ZDUSSCGKSA-N 0 1 393.285 3.297 20 0 GGADMN CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000261910660 1433912083 /nfs/dbraw/zinc/91/20/83/1433912083.db2.gz ZRKJOJGCSVXCRV-UHFFFAOYSA-N 0 1 398.488 3.290 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000261906617 1433912123 /nfs/dbraw/zinc/91/21/23/1433912123.db2.gz POKDAVNMKRRGBU-UONOGXRCSA-N 0 1 397.313 3.203 20 0 GGADMN NC1(c2noc([C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)n2)CCC1 ZINC000261924076 1433913153 /nfs/dbraw/zinc/91/31/53/1433913153.db2.gz KUVIWGUGALKXMZ-GFCCVEGCSA-N 0 1 392.406 3.029 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000261924549 1433913490 /nfs/dbraw/zinc/91/34/90/1433913490.db2.gz IYERPRJXFYPAMJ-LIRRHRJNSA-N 0 1 395.528 3.468 20 0 GGADMN CCCOc1ccc(C(=O)CCC(=O)N2CCNC[C@@H]2C)cc1OCCC ZINC000261928903 1433913823 /nfs/dbraw/zinc/91/38/23/1433913823.db2.gz CANCLSHDYFDXIT-INIZCTEOSA-N 0 1 376.497 3.047 20 0 GGADMN NC1(c2noc([C@H]3CCCN3C(=O)c3ccccc3OC(F)F)n2)CCCC1 ZINC000261942847 1433914820 /nfs/dbraw/zinc/91/48/20/1433914820.db2.gz MWHMLLTURMVEHH-CYBMUJFWSA-N 0 1 392.406 3.376 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000261945734 1433915477 /nfs/dbraw/zinc/91/54/77/1433915477.db2.gz LBKWNABTHLRIQO-WOJBJXKFSA-N 0 1 385.552 3.007 20 0 GGADMN CC(=O)N[C@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)c1cccs1 ZINC000261959126 1433916303 /nfs/dbraw/zinc/91/63/03/1433916303.db2.gz KSOOKFOTRULCRO-SJORKVTESA-N 0 1 391.924 3.142 20 0 GGADMN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261967638 1433917442 /nfs/dbraw/zinc/91/74/42/1433917442.db2.gz LIOKLMGVVSJOEY-MRXNPFEDSA-N 0 1 382.842 3.264 20 0 GGADMN Cc1c(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)nnn1-c1ccccc1 ZINC000261969554 1433918080 /nfs/dbraw/zinc/91/80/80/1433918080.db2.gz LLSCIOARZQEVDQ-GOSISDBHSA-N 0 1 381.867 3.016 20 0 GGADMN [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000261977324 1433918817 /nfs/dbraw/zinc/91/88/17/1433918817.db2.gz NYCBWFNNZPLIJE-XJKSGUPXSA-N 0 1 391.468 3.083 20 0 GGADMN O=C(CCCNC(=O)c1ccccc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261979435 1433919157 /nfs/dbraw/zinc/91/91/57/1433919157.db2.gz MBEXQDHSFJEQEH-IBGZPJMESA-N 0 1 385.895 3.023 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[C@@H]2COCCN2)c2ccc(F)cc2Cl)cc1 ZINC000262015570 1433922170 /nfs/dbraw/zinc/92/21/70/1433922170.db2.gz CILLFZCYOPIDIK-OXQOHEQNSA-N 0 1 376.859 3.372 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262027237 1433923275 /nfs/dbraw/zinc/92/32/75/1433923275.db2.gz DOJNNTKRUKAQCF-HRAATJIYSA-N 0 1 399.516 3.206 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000262045049 1433924336 /nfs/dbraw/zinc/92/43/36/1433924336.db2.gz ULGMYSWFNMHVEO-NRFANRHFSA-N 0 1 377.488 3.384 20 0 GGADMN O=C(C[C@H]1COCCN1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000262050054 1433924517 /nfs/dbraw/zinc/92/45/17/1433924517.db2.gz HIBAIEMKNFQLTC-YJBOKZPZSA-N 0 1 397.906 3.448 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000262086906 1433926294 /nfs/dbraw/zinc/92/62/94/1433926294.db2.gz FYYXSMOOUHFINF-LDQXTDLNSA-N 0 1 384.501 3.140 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000262086909 1433926466 /nfs/dbraw/zinc/92/64/66/1433926466.db2.gz FYYXSMOOUHFINF-NBHGPNQESA-N 0 1 384.501 3.140 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2cccs2)cc1 ZINC000262088161 1433926772 /nfs/dbraw/zinc/92/67/72/1433926772.db2.gz GBSGIRMSSOJJAK-UCNVEGJOSA-N 0 1 398.528 3.449 20 0 GGADMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262119086 1433927598 /nfs/dbraw/zinc/92/75/98/1433927598.db2.gz WDJHVZKTYRZHDD-HXUWFJFHSA-N 0 1 397.906 3.404 20 0 GGADMN C[C@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)NC(=O)C1CCCCC1 ZINC000262121085 1433927865 /nfs/dbraw/zinc/92/78/65/1433927865.db2.gz WHFRTOKNGPJFPR-BEFAXECRSA-N 0 1 391.943 3.288 20 0 GGADMN CCCN(CCC)C(=O)CCC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262120963 1433927890 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CCc1ccc([C@H]2CNCCN2C(=O)c2sc(-c3ncccn3)nc2C)cc1 ZINC000262222149 1433931174 /nfs/dbraw/zinc/93/11/74/1433931174.db2.gz MTEYGLPDPUQPMS-QGZVFWFLSA-N 0 1 393.516 3.258 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cs2)cc1 ZINC000262246342 1433932260 /nfs/dbraw/zinc/93/22/60/1433932260.db2.gz YOQQGAYUWLERMN-YCRPNKLZSA-N 0 1 399.516 3.319 20 0 GGADMN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262237825 1433932278 /nfs/dbraw/zinc/93/22/78/1433932278.db2.gz XNIXNWQHKYSTPU-GERBCZOESA-N 0 1 392.499 3.467 20 0 GGADMN Cc1sc(NC(=O)C[C@@H]2COCCN2)nc1-c1ccc(OC(F)F)cc1 ZINC000262282476 1433933407 /nfs/dbraw/zinc/93/34/07/1433933407.db2.gz XIQQMYVSYHSGAE-GFCCVEGCSA-N 0 1 383.420 3.037 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000262305833 1433934260 /nfs/dbraw/zinc/93/42/60/1433934260.db2.gz CFHBPQBIPKYUJZ-CYBMUJFWSA-N 0 1 381.354 3.210 20 0 GGADMN COC[C@@H](N)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000262316170 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Cc1ccc([C@@H](N)C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000262644233 1433947513 /nfs/dbraw/zinc/94/75/13/1433947513.db2.gz JPQIMHIVVZMNHC-LJQANCHMSA-N 0 1 385.895 3.023 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000262652485 1433948039 /nfs/dbraw/zinc/94/80/39/1433948039.db2.gz AQTWZSYBOWQJKI-LJQANCHMSA-N 0 1 393.466 3.319 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)cc1 ZINC000262666836 1433949062 /nfs/dbraw/zinc/94/90/62/1433949062.db2.gz PSYDHHANMJBHGM-MRXNPFEDSA-N 0 1 379.382 3.154 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000262677977 1433949151 /nfs/dbraw/zinc/94/91/51/1433949151.db2.gz UYJPXLNJEJGEPF-JTSKRJEESA-N 0 1 394.519 3.129 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000262679763 1433949542 /nfs/dbraw/zinc/94/95/42/1433949542.db2.gz VMGXCTDAXDNTFL-JOCHJYFZSA-N 0 1 394.519 3.448 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2sccc2-c2ccccc2)C1 ZINC000262689850 1433950064 /nfs/dbraw/zinc/95/00/64/1433950064.db2.gz DPMMKLVURBBMRB-UHFFFAOYSA-N 0 1 384.501 3.473 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCCC(=O)c2c(C)cc(C)cc2C)C1 ZINC000262687427 1433950070 /nfs/dbraw/zinc/95/00/70/1433950070.db2.gz AYBCPPDRRWFAQP-UHFFFAOYSA-N 0 1 388.508 3.019 20 0 GGADMN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000262691512 1433950083 /nfs/dbraw/zinc/95/00/83/1433950083.db2.gz AHQUILWIAZGPMQ-CZPYZCIJSA-N 0 1 386.414 3.010 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000262693345 1433950410 /nfs/dbraw/zinc/95/04/10/1433950410.db2.gz FLHYLVCJHZIYKL-UHFFFAOYSA-N 0 1 393.896 3.131 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000262698457 1433950690 /nfs/dbraw/zinc/95/06/90/1433950690.db2.gz HBTXCWMVROLTHB-ITAUSPCMSA-N 0 1 394.515 3.457 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccccc2OCc2ccccc2C)C1 ZINC000262704594 1433950728 /nfs/dbraw/zinc/95/07/28/1433950728.db2.gz JAHONTURYKWKPH-UHFFFAOYSA-N 0 1 396.487 3.241 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1 ZINC000262700517 1433950805 /nfs/dbraw/zinc/95/08/05/1433950805.db2.gz CCLYAVVFTSLLOW-UHFFFAOYSA-N 0 1 376.472 3.035 20 0 GGADMN Cc1cc(CCCC(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c(C)s1 ZINC000262699552 1433950903 /nfs/dbraw/zinc/95/09/03/1433950903.db2.gz HMQFJTQYCWWBIQ-UHFFFAOYSA-N 0 1 378.538 3.131 20 0 GGADMN CC(C)c1cccc(O[C@@H](C)C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000262706821 1433951091 /nfs/dbraw/zinc/95/10/91/1433951091.db2.gz JTVIVRWTGMRRPU-MNNVXMFVSA-N 0 1 388.508 3.021 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(Cl)ccc2OC2CCCC2)C1 ZINC000262706196 1433951241 /nfs/dbraw/zinc/95/12/41/1433951241.db2.gz JRCPRLQHRCHPJO-UHFFFAOYSA-N 0 1 394.899 3.329 20 0 GGADMN CC[C@@H](C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000262715379 1433951903 /nfs/dbraw/zinc/95/19/03/1433951903.db2.gz NEKYDANNOCDGGM-UYSNPLJNSA-N 0 1 386.414 3.253 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000262718988 1433952253 /nfs/dbraw/zinc/95/22/53/1433952253.db2.gz OSMGJIMCGOIWLO-UHFFFAOYSA-N 0 1 392.499 3.262 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000262726014 1433952374 /nfs/dbraw/zinc/95/23/74/1433952374.db2.gz SJUFSIIGGLZQRR-UHFFFAOYSA-N 0 1 378.900 3.206 20 0 GGADMN CCCOc1ccc(Cl)cc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262724596 1433952432 /nfs/dbraw/zinc/95/24/32/1433952432.db2.gz ROWXOUXAAQGFKH-UHFFFAOYSA-N 0 1 394.899 3.186 20 0 GGADMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262728780 1433952445 /nfs/dbraw/zinc/95/24/45/1433952445.db2.gz UBDVRAGRHMGGPZ-UWTIGNOOSA-N 0 1 396.940 3.264 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000262727629 1433952545 /nfs/dbraw/zinc/95/25/45/1433952545.db2.gz TZFQTTQJIBIYFR-UHFFFAOYSA-N 0 1 393.896 3.131 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cccc(OCc3cccc(C)c3)c2)C1 ZINC000262724610 1433952642 /nfs/dbraw/zinc/95/26/42/1433952642.db2.gz RQBMLSURGNJNSD-UHFFFAOYSA-N 0 1 396.487 3.241 20 0 GGADMN C[C@H](NC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000262735012 1433952915 /nfs/dbraw/zinc/95/29/15/1433952915.db2.gz CAXRELQYECADKK-JCURWCKSSA-N 0 1 394.393 3.212 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000262735012 1433952918 /nfs/dbraw/zinc/95/29/18/1433952918.db2.gz CAXRELQYECADKK-JCURWCKSSA-N 0 1 394.393 3.212 20 0 GGADMN Cc1cccc(C2(C(=O)NC3CC([N@H+](CC(=O)[O-])CC4CC4)C3)CCCC2)c1 ZINC000262738745 1433953180 /nfs/dbraw/zinc/95/31/80/1433953180.db2.gz VYHGICBCJLMUPR-UHFFFAOYSA-N 0 1 384.520 3.251 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000262762130 1433954376 /nfs/dbraw/zinc/95/43/76/1433954376.db2.gz ZZQHVPNTMPEBPO-YCMKEVRSSA-N 0 1 384.476 3.006 20 0 GGADMN 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CCCc1cc(=O)n2nc(NC[C@@H](c3ccc(C)o3)N3CCCC3)sc2n1 ZINC000263753796 1434029591 /nfs/dbraw/zinc/02/95/91/1434029591.db2.gz SZVCBLUGILMVIG-HNNXBMFYSA-N 0 1 387.509 3.254 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1noc2ccccc12)N1CCCC1 ZINC000263757575 1434030088 /nfs/dbraw/zinc/03/00/88/1434030088.db2.gz ZJSNFWSBVMDLAA-LJQANCHMSA-N 0 1 379.460 3.332 20 0 GGADMN CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000263766365 1434031053 /nfs/dbraw/zinc/03/10/53/1434031053.db2.gz WRDHKJDERDNJTK-UHFFFAOYSA-N 0 1 387.553 3.015 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000263769503 1434031633 /nfs/dbraw/zinc/03/16/33/1434031633.db2.gz FDDJWZYHMVGKLR-BETUJISGSA-N 0 1 385.493 3.189 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000263773189 1434031877 /nfs/dbraw/zinc/03/18/77/1434031877.db2.gz TXEKKOWVUPCTIJ-HZPDHXFCSA-N 0 1 379.932 3.146 20 0 GGADMN CC(=O)N/C(=C\c1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000263777313 1434032800 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1 398.507 3.152 20 0 GGADMN CCCN(C(=O)CSc1cccc[n+]1[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000263818176 1434037415 /nfs/dbraw/zinc/03/74/15/1434037415.db2.gz PXRYNADNNCMCPC-FQEVSTJZSA-N 0 1 399.560 3.315 20 0 GGADMN CCn1nc(C)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000263832769 1434039289 /nfs/dbraw/zinc/03/92/89/1434039289.db2.gz PQKBYJQDKIIPPM-HZPDHXFCSA-N 0 1 384.524 3.059 20 0 GGADMN CCOc1ccc(Oc2cc(CNCc3cnc(N(C)C)nc3)ccn2)cc1 ZINC000263845650 1434041012 /nfs/dbraw/zinc/04/10/12/1434041012.db2.gz JUPUZQWCEZKRSA-UHFFFAOYSA-N 0 1 379.464 3.418 20 0 GGADMN C[C@@H]1CN(CC2CCN(C(=O)CCC(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000263850065 1434041390 /nfs/dbraw/zinc/04/13/90/1434041390.db2.gz YFAJKXQYJMKPTE-IYBDPMFKSA-N 0 1 378.538 3.059 20 0 GGADMN COc1cc(CNCc2cnc(N(C)C)nc2)ccc1OCc1ccccc1 ZINC000263848725 1434041423 /nfs/dbraw/zinc/04/14/23/1434041423.db2.gz MUFHKDKBWUIZFB-UHFFFAOYSA-N 0 1 378.476 3.420 20 0 GGADMN C[C@H]1CN(CC2CCN(C(=O)CCC(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000263850063 1434041497 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20 0 GGADMN Cc1ccc(C(=O)CCC(=O)CCC(=O)NCCCc2cn[nH]c2C)s1 ZINC000263931597 1434050124 /nfs/dbraw/zinc/05/01/24/1434050124.db2.gz CTDTWBHNDTVOHA-UHFFFAOYSA-N 0 1 375.494 3.149 20 0 GGADMN Cc1nc(CN2CCC(C(=O)NC[C@@H](c3ccsc3)N(C)C)CC2)cs1 ZINC000263935089 1434050520 /nfs/dbraw/zinc/05/05/20/1434050520.db2.gz SOPYZJOHBSMLTH-SFHVURJKSA-N 0 1 392.594 3.144 20 0 GGADMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000263957152 1434053342 /nfs/dbraw/zinc/05/33/42/1434053342.db2.gz IDVWUNDMODLSMK-GFCCVEGCSA-N 0 1 397.460 3.147 20 0 GGADMN CCOCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000263960728 1434054045 /nfs/dbraw/zinc/05/40/45/1434054045.db2.gz KCWGWZHDTGIHBJ-UHFFFAOYSA-N 0 1 392.477 3.170 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)N1CCCC1 ZINC000263963370 1434054217 /nfs/dbraw/zinc/05/42/17/1434054217.db2.gz RQXQOTRIGJRDAJ-IEBWSBKVSA-N 0 1 397.523 3.144 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)N1CCCC1 ZINC000263963371 1434054364 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O=C(Nc1ccc(O)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000265973997 1434290933 /nfs/dbraw/zinc/29/09/33/1434290933.db2.gz AQHZIPLSSQUVDI-UHFFFAOYSA-N 0 1 376.460 3.429 20 0 GGADMN CC[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1cc(F)ccc1F ZINC000265976094 1434291222 /nfs/dbraw/zinc/29/12/22/1434291222.db2.gz VWKQSPKHOYARPA-LJQANCHMSA-N 0 1 381.467 3.170 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC(C(=O)Nc4ccc(O)cc4)CC3)C2=O)cc1 ZINC000265982374 1434291882 /nfs/dbraw/zinc/29/18/82/1434291882.db2.gz FVPWAXCJNYWVDQ-NRFANRHFSA-N 0 1 393.487 3.157 20 0 GGADMN CCN(CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1c(C)cccc1C ZINC000265988423 1434293198 /nfs/dbraw/zinc/29/31/98/1434293198.db2.gz DYLJQOWPPDXDHV-UHFFFAOYSA-N 0 1 397.475 3.321 20 0 GGADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000265989071 1434293442 /nfs/dbraw/zinc/29/34/42/1434293442.db2.gz IWKDUQZUMGDVRZ-JXFKEZNVSA-N 0 1 387.524 3.080 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000265994295 1434293866 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GGADMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1C ZINC000266055975 1434299896 /nfs/dbraw/zinc/29/98/96/1434299896.db2.gz HKIDMXGXMCBFOJ-UHFFFAOYSA-N 0 1 393.509 3.187 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1ccsc1 ZINC000266054908 1434299901 /nfs/dbraw/zinc/29/99/01/1434299901.db2.gz HHRSQZROULRJON-GOSISDBHSA-N 0 1 387.549 3.443 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(OC2CCOCC2)cc1 ZINC000266073567 1434301438 /nfs/dbraw/zinc/30/14/38/1434301438.db2.gz MLBSFRJTAHIESV-UHFFFAOYSA-N 0 1 395.503 3.034 20 0 GGADMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)c1C ZINC000266080875 1434302125 /nfs/dbraw/zinc/30/21/25/1434302125.db2.gz NKCVTHTVUIEMPE-UHFFFAOYSA-N 0 1 386.477 3.295 20 0 GGADMN COCCCOc1cccc(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000266085500 1434302533 /nfs/dbraw/zinc/30/25/33/1434302533.db2.gz OIUDBAVSUDKSRM-UHFFFAOYSA-N 0 1 382.420 3.148 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c[nH]c12 ZINC000266145801 1434306622 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CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266331956 1434321375 /nfs/dbraw/zinc/32/13/75/1434321375.db2.gz SGRJGJUQXAYUJC-CJNGLKHVSA-N 0 1 398.525 3.116 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cccc(C[S@@](C)=O)c2)CCN1Cc1ccccc1 ZINC000266364780 1434325450 /nfs/dbraw/zinc/32/54/50/1434325450.db2.gz SRIOKGSFAADGRW-DNOBIOAJSA-N 0 1 384.545 3.302 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cc2)CCO1 ZINC000266368844 1434326026 /nfs/dbraw/zinc/32/60/26/1434326026.db2.gz DLTIEFGNBNOEPD-BEFAXECRSA-N 0 1 388.537 3.398 20 0 GGADMN Cc1cc2ncc(C(=O)N3CC[C@@H](C)N(Cc4ccccc4)CC3)c(C)n2n1 ZINC000266390554 1434329301 /nfs/dbraw/zinc/32/93/01/1434329301.db2.gz ZSMJWJBYIDLLCS-QGZVFWFLSA-N 0 1 377.492 3.083 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCc2c[nH]nc2C1 ZINC000266392618 1434329474 /nfs/dbraw/zinc/32/94/74/1434329474.db2.gz WHPCYNWTDQNAOU-INIZCTEOSA-N 0 1 386.927 3.196 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cs1 ZINC000266432062 1434335859 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GGADMN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Oc3cnccn3)cc2)NC(=S)N1 ZINC000266560634 1434349724 /nfs/dbraw/zinc/34/97/24/1434349724.db2.gz MSOFZJXZMYPJGD-QGZVFWFLSA-N 0 1 384.461 3.013 20 0 GGADMN COc1cc(-c2nc(C3CCCCC3)no2)cc(NS(C)(=O)=O)c1OC ZINC000266572375 1434350742 /nfs/dbraw/zinc/35/07/42/1434350742.db2.gz LHEIXLIDLDLEGR-UHFFFAOYSA-N 0 1 381.454 3.173 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N3CC[C@H]3c3ccc(Cl)cc3)cn2)CC1 ZINC000266582614 1434351548 /nfs/dbraw/zinc/35/15/48/1434351548.db2.gz YTAOKSVMSRWMPP-IBGZPJMESA-N 0 1 399.926 3.143 20 0 GGADMN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266608642 1434353957 /nfs/dbraw/zinc/35/39/57/1434353957.db2.gz BPFIQXRTCKYZJM-LJHODMEESA-N 0 1 375.513 3.160 20 0 GGADMN C[C@@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000266612365 1434354451 /nfs/dbraw/zinc/35/44/51/1434354451.db2.gz UIWPUBBCJSVODQ-WBVHZDCISA-N 0 1 399.457 3.348 20 0 GGADMN CCC(CC)(CNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1 ZINC000266623025 1434355353 /nfs/dbraw/zinc/35/53/53/1434355353.db2.gz QFZUHEYFFJGTEK-UHFFFAOYSA-N 0 1 391.475 3.080 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC2(C1)CCOCC2 ZINC000266635733 1434357132 /nfs/dbraw/zinc/35/71/32/1434357132.db2.gz RNINRWDUXDEAOI-SFHVURJKSA-N 0 1 382.508 3.319 20 0 GGADMN CC[C@](C)(NC[C@@H](O)COc1ccc(NC(C)=O)cc1)c1nc(C)cs1 ZINC000266648219 1434358653 /nfs/dbraw/zinc/35/86/53/1434358653.db2.gz XKODQQPUZQHNQZ-APWZRJJASA-N 0 1 377.510 3.065 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cccc4cnccc43)cc2)CC1 ZINC000266653039 1434359458 /nfs/dbraw/zinc/35/94/58/1434359458.db2.gz FRQUHJBDTVXAML-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cnn(C)c2)N2CCCCC2)cc1 ZINC000266709444 1434366125 /nfs/dbraw/zinc/36/61/25/1434366125.db2.gz QEIFJFGVIWQNPP-OXJNMPFZSA-N 0 1 385.512 3.016 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H](C)c2cnn(C)c2)N2CCCCC2)cc1 ZINC000266709442 1434366199 /nfs/dbraw/zinc/36/61/99/1434366199.db2.gz QEIFJFGVIWQNPP-JXFKEZNVSA-N 0 1 385.512 3.016 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)CCSc2nnc(C)[nH]2)cc1OCC ZINC000266726385 1434368262 /nfs/dbraw/zinc/36/82/62/1434368262.db2.gz NIIKJTMRJFMBRJ-GFCCVEGCSA-N 0 1 378.498 3.270 20 0 GGADMN C[C@H](NC(=O)NCCCC(F)(F)F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000266735085 1434369264 /nfs/dbraw/zinc/36/92/64/1434369264.db2.gz ASHBSWTZLYZWSI-ZDUSSCGKSA-N 0 1 390.425 3.280 20 0 GGADMN C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000266747451 1434370606 /nfs/dbraw/zinc/37/06/06/1434370606.db2.gz MOAJUNRQNPBUCF-MAUKXSAKSA-N 0 1 379.932 3.276 20 0 GGADMN Cc1nccn1-c1ncccc1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000266838366 1434380673 /nfs/dbraw/zinc/38/06/73/1434380673.db2.gz LWKLGRLBFLTPAZ-NRFANRHFSA-N 0 1 389.503 3.247 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)[nH]1 ZINC000266840065 1434380886 /nfs/dbraw/zinc/38/08/86/1434380886.db2.gz OEIPPPWYSFLEDM-CYBMUJFWSA-N 0 1 387.509 3.249 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC[C@H](C)N(C)Cc1ccccc1 ZINC000266849209 1434381588 /nfs/dbraw/zinc/38/15/88/1434381588.db2.gz BTVLUUCPNHRWCW-KRWDZBQOSA-N 0 1 388.533 3.039 20 0 GGADMN CC(C)OCCN1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC000266865669 1434383281 /nfs/dbraw/zinc/38/32/81/1434383281.db2.gz YOXOOPZPAXMZAW-UHFFFAOYSA-N 0 1 395.429 3.104 20 0 GGADMN CN(C)C(=O)c1cccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000266873242 1434384032 /nfs/dbraw/zinc/38/40/32/1434384032.db2.gz YHDYOQYUHSZNQV-OAQYLSRUSA-N 0 1 379.504 3.059 20 0 GGADMN Cc1nnc(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2)o1 ZINC000266876304 1434384144 /nfs/dbraw/zinc/38/41/44/1434384144.db2.gz YUQQJCKFUMDXLU-UHFFFAOYSA-N 0 1 391.475 3.358 20 0 GGADMN CNC(=O)NC(=O)CCN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000266902789 1434386884 /nfs/dbraw/zinc/38/68/84/1434386884.db2.gz HDIUNUFEVAOUNX-MRXNPFEDSA-N 0 1 384.480 3.448 20 0 GGADMN COC(=O)CNC(=O)CCN1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000266922918 1434388887 /nfs/dbraw/zinc/38/88/87/1434388887.db2.gz MSQMMXJCUQUBLJ-QGZVFWFLSA-N 0 1 399.491 3.281 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(OCC3CCOCC3)cc2)[nH]1 ZINC000266926809 1434389262 /nfs/dbraw/zinc/38/92/62/1434389262.db2.gz XQJCKNDHFXPYEJ-UHFFFAOYSA-N 0 1 376.482 3.039 20 0 GGADMN Cc1nnc(SCC(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)[nH]1 ZINC000266927798 1434389274 /nfs/dbraw/zinc/38/92/74/1434389274.db2.gz RMNQFTQCFMFOHW-UHFFFAOYSA-N 0 1 378.454 3.182 20 0 GGADMN Cc1n[nH]c(SCC(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)n1 ZINC000266927798 1434389276 /nfs/dbraw/zinc/38/92/76/1434389276.db2.gz RMNQFTQCFMFOHW-UHFFFAOYSA-N 0 1 378.454 3.182 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000266938951 1434390485 /nfs/dbraw/zinc/39/04/85/1434390485.db2.gz PAKPQGKVZJYNGX-WMZOPIPTSA-N 0 1 397.544 3.156 20 0 GGADMN O=C(CCOc1ccccc1-c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000266947903 1434391459 /nfs/dbraw/zinc/39/14/59/1434391459.db2.gz GFSLJXYKQAJNOV-UHFFFAOYSA-N 0 1 394.515 3.446 20 0 GGADMN O=C(COc1ccccc1-c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000266962220 1434393533 /nfs/dbraw/zinc/39/35/33/1434393533.db2.gz NBJQUGXMZSOEBV-UHFFFAOYSA-N 0 1 380.488 3.056 20 0 GGADMN CC(C)OCCN1CCC(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000266964966 1434393846 /nfs/dbraw/zinc/39/38/46/1434393846.db2.gz FBNQQOCADVMCTR-UHFFFAOYSA-N 0 1 380.916 3.309 20 0 GGADMN O=C(/C=C/c1ccc(SC(F)F)cc1)N1CCN(C2CCOCC2)CC1 ZINC000266972269 1434394190 /nfs/dbraw/zinc/39/41/90/1434394190.db2.gz SZSCQKKUOPXJEV-ZZXKWVIFSA-N 0 1 382.476 3.338 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cn[nH]c1-c1ccncc1 ZINC000266979834 1434395255 /nfs/dbraw/zinc/39/52/55/1434395255.db2.gz YWCSNXRHFFSLCY-MOPGFXCFSA-N 0 1 378.432 3.406 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cn[nH]c1-c1ccncc1 ZINC000266979836 1434395474 /nfs/dbraw/zinc/39/54/74/1434395474.db2.gz YWCSNXRHFFSLCY-RBUKOAKNSA-N 0 1 378.432 3.406 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1OC(F)F ZINC000266985121 1434395934 /nfs/dbraw/zinc/39/59/34/1434395934.db2.gz PKSJJGAGGZCBOO-QGZVFWFLSA-N 0 1 397.466 3.245 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000266989268 1434396424 /nfs/dbraw/zinc/39/64/24/1434396424.db2.gz SWBZMGPGQJYGCM-AAVSEXJHSA-N 0 1 393.578 3.491 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000266989270 1434396489 /nfs/dbraw/zinc/39/64/89/1434396489.db2.gz SWBZMGPGQJYGCM-LNMHWPHBSA-N 0 1 393.578 3.491 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000267018247 1434399404 /nfs/dbraw/zinc/39/94/04/1434399404.db2.gz BONSUBLAICIZJG-HXUWFJFHSA-N 0 1 394.519 3.476 20 0 GGADMN O=C(CN1CCN(C2CCOCC2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000267020092 1434399431 /nfs/dbraw/zinc/39/94/31/1434399431.db2.gz QHZAPNYHGYFXPI-UHFFFAOYSA-N 0 1 379.504 3.089 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000267018242 1434399439 /nfs/dbraw/zinc/39/94/39/1434399439.db2.gz BONSUBLAICIZJG-FQEVSTJZSA-N 0 1 394.519 3.476 20 0 GGADMN O=C(NC1CC1)c1ccc(CN(CCC2OCCCO2)Cc2ccco2)cc1 ZINC000267024100 1434399913 /nfs/dbraw/zinc/39/99/13/1434399913.db2.gz CGIUDCAQJGTYHH-UHFFFAOYSA-N 0 1 384.476 3.327 20 0 GGADMN O=C(CN1CCN(C2CCOCC2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000267039481 1434402125 /nfs/dbraw/zinc/40/21/25/1434402125.db2.gz ORQPHDIBQNXSCJ-UHFFFAOYSA-N 0 1 385.552 3.149 20 0 GGADMN CCN(C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1)CC(F)(F)F ZINC000267047987 1434403115 /nfs/dbraw/zinc/40/31/15/1434403115.db2.gz BFRWZAXDBQGDIW-AWEZNQCLSA-N 0 1 380.414 3.423 20 0 GGADMN O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000267071801 1434405292 /nfs/dbraw/zinc/40/52/92/1434405292.db2.gz VYRGQVHWQOLGGN-UHFFFAOYSA-N 0 1 389.830 3.270 20 0 GGADMN CC(C)N(Cc1ccccc1F)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000267072483 1434405337 /nfs/dbraw/zinc/40/53/37/1434405337.db2.gz IDPOUBPEGNGRLQ-UHFFFAOYSA-N 0 1 386.471 3.429 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1)c1ccccc1 ZINC000267090946 1434406859 /nfs/dbraw/zinc/40/68/59/1434406859.db2.gz LOFWAXVYBIULLU-OAQYLSRUSA-N 0 1 395.503 3.262 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)NC1CC1 ZINC000267100771 1434407463 /nfs/dbraw/zinc/40/74/63/1434407463.db2.gz ZGWWRFUEQGKLLX-GJZGRUSLSA-N 0 1 383.467 3.325 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](CO)C1 ZINC000267128107 1434409226 /nfs/dbraw/zinc/40/92/26/1434409226.db2.gz CNQYXGGDYBBPEZ-FUHWJXTLSA-N 0 1 385.533 3.405 20 0 GGADMN CCCN(CCC)C(=O)CCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000267134934 1434409685 /nfs/dbraw/zinc/40/96/85/1434409685.db2.gz WTKDORCEQWFIQU-UHFFFAOYSA-N 0 1 376.476 3.180 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)n1 ZINC000267141477 1434410221 /nfs/dbraw/zinc/41/02/21/1434410221.db2.gz YTPJPLRGDJOQLB-UHFFFAOYSA-N 0 1 384.871 3.111 20 0 GGADMN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000267149512 1434410711 /nfs/dbraw/zinc/41/07/11/1434410711.db2.gz MDWBWROVZWBSNY-UHFFFAOYSA-N 0 1 392.931 3.269 20 0 GGADMN Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000267174709 1434412270 /nfs/dbraw/zinc/41/22/70/1434412270.db2.gz WHMHUHWRCZYEDI-UHFFFAOYSA-N 0 1 391.475 3.104 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000267180937 1434412676 /nfs/dbraw/zinc/41/26/76/1434412676.db2.gz NSXHPUHISPYDSE-UHFFFAOYSA-N 0 1 393.409 3.417 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000267185030 1434412889 /nfs/dbraw/zinc/41/28/89/1434412889.db2.gz QHDJKYYXYQOCJH-IBGZPJMESA-N 0 1 377.504 3.419 20 0 GGADMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000267248103 1434416667 /nfs/dbraw/zinc/41/66/67/1434416667.db2.gz ZFARKSCIVNFIGK-UHFFFAOYSA-N 0 1 396.415 3.289 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)C2CC2)c1 ZINC000267248614 1434416716 /nfs/dbraw/zinc/41/67/16/1434416716.db2.gz UJNKRTFIRJVROZ-LBPRGKRZSA-N 0 1 390.461 3.186 20 0 GGADMN CN(CCNC(=O)NCc1ccccc1Cn1ccnc1)Cc1ccc(F)cc1 ZINC000267267639 1434418102 /nfs/dbraw/zinc/41/81/02/1434418102.db2.gz DTNKHIMIXNLRED-UHFFFAOYSA-N 0 1 395.482 3.002 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N[C@H]1CCCSC1 ZINC000267309406 1434421421 /nfs/dbraw/zinc/42/14/21/1434421421.db2.gz ZPKVTFVZNAOMMP-AWEZNQCLSA-N 0 1 391.562 3.257 20 0 GGADMN CC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1nnc2n1CCCCC2 ZINC000267336374 1434423762 /nfs/dbraw/zinc/42/37/62/1434423762.db2.gz MULMDPDXQWKNQD-GJZGRUSLSA-N 0 1 390.557 3.119 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000267392165 1434428791 /nfs/dbraw/zinc/42/87/91/1434428791.db2.gz OWNNOCOURZJDJZ-UHFFFAOYSA-N 0 1 386.448 3.185 20 0 GGADMN CO[C@H](C)c1noc(CN2CCCN(CCOc3cccc(Cl)c3)CC2)n1 ZINC000267438596 1434433228 /nfs/dbraw/zinc/43/32/28/1434433228.db2.gz BRZAKSCINIVAKB-OAHLLOKOSA-N 0 1 394.903 3.017 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C[C@H](C)c2ccc(OC)cc2)c1 ZINC000267527483 1434443733 /nfs/dbraw/zinc/44/37/33/1434443733.db2.gz OSCBYHKCTQVFDI-ZDUSSCGKSA-N 0 1 377.462 3.327 20 0 GGADMN C[C@@H](NCCC(=O)Nc1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000267557215 1434445590 /nfs/dbraw/zinc/44/55/90/1434445590.db2.gz FVVBQOXRJZLECU-GFCCVEGCSA-N 0 1 377.370 3.428 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccn3C)n[nH]2)cc1OC ZINC000267601810 1434448984 /nfs/dbraw/zinc/44/89/84/1434448984.db2.gz TWHONRTYCVNDPW-SFHVURJKSA-N 0 1 380.448 3.410 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)n[nH]2)cc1OC ZINC000267619030 1434450253 /nfs/dbraw/zinc/45/02/53/1434450253.db2.gz YUPSWUZDFILPIK-NRFANRHFSA-N 0 1 393.443 3.308 20 0 GGADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC3(CNC(=O)C3)CC2)cc1 ZINC000267616230 1434450416 /nfs/dbraw/zinc/45/04/16/1434450416.db2.gz CILVAEQVRNTSKV-NRFANRHFSA-N 0 1 377.488 3.277 20 0 GGADMN Cc1ncc(CNCc2ccnc(OC3CCOCC3)c2)n1-c1ccccc1 ZINC000267626777 1434450988 /nfs/dbraw/zinc/45/09/88/1434450988.db2.gz MRBCUZNAJXIZNF-UHFFFAOYSA-N 0 1 378.476 3.423 20 0 GGADMN CO[C@H](C)c1nc(CN2CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cs1 ZINC000267708664 1434457303 /nfs/dbraw/zinc/45/73/03/1434457303.db2.gz JCQAICUOJCTBCO-CQSZACIVSA-N 0 1 391.541 3.045 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000267734486 1434459502 /nfs/dbraw/zinc/45/95/02/1434459502.db2.gz AMUOOMJMVKBYRW-WMLDXEAASA-N 0 1 399.520 3.385 20 0 GGADMN CCc1cnc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)s1 ZINC000267734194 1434459511 /nfs/dbraw/zinc/45/95/11/1434459511.db2.gz UUPGBHBEMZHLLT-UHFFFAOYSA-N 0 1 386.477 3.385 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc4c(c3)CCO4)CC2)cs1 ZINC000267735479 1434459560 /nfs/dbraw/zinc/45/95/60/1434459560.db2.gz NNVSSPYRTKZFCX-INIZCTEOSA-N 0 1 387.549 3.493 20 0 GGADMN COC(=O)[C@@]1(F)CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000267765235 1434462483 /nfs/dbraw/zinc/46/24/83/1434462483.db2.gz ZLYWBRDRNIPROK-JOCHJYFZSA-N 0 1 384.451 3.046 20 0 GGADMN O=C(CN1CCC2(CNC(=O)C2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000267816041 1434467596 /nfs/dbraw/zinc/46/75/96/1434467596.db2.gz NVETWKXXMCMYIR-QFIPXVFZSA-N 0 1 383.536 3.026 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1csc([C@@H](C)OC)n1)c1ccco1 ZINC000267830139 1434468676 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ZINC000270583592 1434747133 /nfs/dbraw/zinc/74/71/33/1434747133.db2.gz ALVGVQZENHUHTN-ZDUSSCGKSA-N 0 1 399.524 3.051 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC000270588782 1434747657 /nfs/dbraw/zinc/74/76/57/1434747657.db2.gz BFIWDLOIRNEKBG-IINYFYTJSA-N 0 1 379.411 3.406 20 0 GGADMN CCc1nc([C@H](C)NC(=O)COc2ccccc2OCc2ccccc2)n[nH]1 ZINC000270595138 1434748430 /nfs/dbraw/zinc/74/84/30/1434748430.db2.gz CBEKOVWEIGXIKA-HNNXBMFYSA-N 0 1 380.448 3.202 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270595725 1434748470 /nfs/dbraw/zinc/74/84/70/1434748470.db2.gz FVULEWRJLYXPED-KSMMKXTCSA-N 0 1 390.890 3.116 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Cc2csc(COc3ccc(C)cc3)n2)n[nH]1 ZINC000270595435 1434748492 /nfs/dbraw/zinc/74/84/92/1434748492.db2.gz CEWPGCMCFQPKRO-ZDUSSCGKSA-N 0 1 385.493 3.131 20 0 GGADMN Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000270600644 1434749132 /nfs/dbraw/zinc/74/91/32/1434749132.db2.gz DAAPHNAXNYHVFU-CYBMUJFWSA-N 0 1 399.524 3.051 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)n[nH]1 ZINC000270601507 1434749238 /nfs/dbraw/zinc/74/92/38/1434749238.db2.gz CQXOMYMSKWJBCM-OAHLLOKOSA-N 0 1 398.511 3.430 20 0 GGADMN CC(=O)Nc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc(C(F)(F)F)c1 ZINC000270601794 1434749348 /nfs/dbraw/zinc/74/93/48/1434749348.db2.gz DAKOGDPGTRRIGM-VIFPVBQESA-N 0 1 383.374 3.396 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)n[nH]1 ZINC000270609898 1434750115 /nfs/dbraw/zinc/75/01/15/1434750115.db2.gz DTCWHQMHCHXUSH-LLVKDONJSA-N 0 1 392.891 3.289 20 0 GGADMN CCOc1cc(C=CC(=O)N[C@@H](C)c2n[nH]c(CC)n2)ccc1OC(F)F ZINC000270613077 1434750466 /nfs/dbraw/zinc/75/04/66/1434750466.db2.gz FPXPUSLXRWERQA-DJYGCBNOSA-N 0 1 380.395 3.258 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)n[nH]1 ZINC000270612542 1434750603 /nfs/dbraw/zinc/75/06/03/1434750603.db2.gz DXXOMAHALKCNET-NSHDSACASA-N 0 1 394.932 3.456 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270611584 1434750608 /nfs/dbraw/zinc/75/06/08/1434750608.db2.gz IIMFDVPIZNKRON-OHNRDTAOSA-N 0 1 390.890 3.116 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)n[nH]1 ZINC000270615738 1434750857 /nfs/dbraw/zinc/75/08/57/1434750857.db2.gz FZSDZTSBMFYGFQ-ZDUSSCGKSA-N 0 1 399.524 3.041 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)n[nH]1 ZINC000270615151 1434751066 /nfs/dbraw/zinc/75/10/66/1434751066.db2.gz GYSUJISCEIHDCD-ZDUSSCGKSA-N 0 1 385.468 3.065 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1 ZINC000270615585 1434751083 /nfs/dbraw/zinc/75/10/83/1434751083.db2.gz FJIQQZGJYIIJBT-SJCJKPOMSA-N 0 1 385.468 3.211 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)n[nH]1 ZINC000270615733 1434751099 /nfs/dbraw/zinc/75/10/99/1434751099.db2.gz FZSDZTSBMFYGFQ-CYBMUJFWSA-N 0 1 399.524 3.041 20 0 GGADMN COCCOc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270618559 1434751734 /nfs/dbraw/zinc/75/17/34/1434751734.db2.gz FQJATVAZEOYJGS-NSHDSACASA-N 0 1 381.864 3.489 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)ccc21 ZINC000270619539 1434752008 /nfs/dbraw/zinc/75/20/08/1434752008.db2.gz HLNFDOGZYZFRJZ-ZDUSSCGKSA-N 0 1 382.468 3.109 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccnc(OCc3ccccc3)c2)n[nH]1 ZINC000270625639 1434752614 /nfs/dbraw/zinc/75/26/14/1434752614.db2.gz GJWZYFVNCFEXHE-HNNXBMFYSA-N 0 1 394.479 3.463 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC000270624956 1434752652 /nfs/dbraw/zinc/75/26/52/1434752652.db2.gz DEUYYTPCUGPQRZ-XQQFMLRXSA-N 0 1 390.463 3.003 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)n[nH]1 ZINC000270628137 1434753020 /nfs/dbraw/zinc/75/30/20/1434753020.db2.gz IQAUECKDZXXJDT-CYBMUJFWSA-N 0 1 385.468 3.065 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)n[nH]1 ZINC000270628143 1434753091 /nfs/dbraw/zinc/75/30/91/1434753091.db2.gz IQAUECKDZXXJDT-ZDUSSCGKSA-N 0 1 385.468 3.065 20 0 GGADMN Cc1ncc(NC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000270628492 1434753199 /nfs/dbraw/zinc/75/31/99/1434753199.db2.gz GSHHIRZVZJBLII-DYVFJYSZSA-N 0 1 377.851 3.392 20 0 GGADMN CCc1nc([C@@H](C)NCc2ccc(OCc3c(C)noc3C)c(OC)c2)n[nH]1 ZINC000270637683 1434754249 /nfs/dbraw/zinc/75/42/49/1434754249.db2.gz HHLSXRWNWXXUPP-CYBMUJFWSA-N 0 1 385.468 3.410 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)n2)c1 ZINC000270638635 1434754603 /nfs/dbraw/zinc/75/46/03/1434754603.db2.gz KHAHMYHRFMJUHB-NWDGAFQWSA-N 0 1 399.455 3.108 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000270638992 1434754640 /nfs/dbraw/zinc/75/46/40/1434754640.db2.gz HVSQWOWSNPIVEZ-VHSXEESVSA-N 0 1 377.399 3.233 20 0 GGADMN COC(=O)COc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270643462 1434755230 /nfs/dbraw/zinc/75/52/30/1434755230.db2.gz IJQPSVSVAOYRIU-SNVBAGLBSA-N 0 1 395.847 3.016 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCCCC3)nc2)n[nH]1 ZINC000270646283 1434755361 /nfs/dbraw/zinc/75/53/61/1434755361.db2.gz IOWVXJXAPDMINP-OAHLLOKOSA-N 0 1 385.516 3.264 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)n[nH]1 ZINC000270645668 1434755411 /nfs/dbraw/zinc/75/54/11/1434755411.db2.gz LCZCWJBMACEAHV-HNNXBMFYSA-N 0 1 398.511 3.124 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)n[nH]1 ZINC000270646328 1434755493 /nfs/dbraw/zinc/75/54/93/1434755493.db2.gz IPJIWUPPPITCPS-AWEZNQCLSA-N 0 1 387.484 3.364 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000270646359 1434756065 /nfs/dbraw/zinc/75/60/65/1434756065.db2.gz IPUDODOMZIOTFB-QLFBSQMISA-N 0 1 398.511 3.368 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)n[nH]1 ZINC000270655784 1434757011 /nfs/dbraw/zinc/75/70/11/1434757011.db2.gz MTYHVGFDYBVVTM-QAPCUYQASA-N 0 1 378.480 3.415 20 0 GGADMN CN1CC[C@H](CNC(=O)COc2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270654695 1434757267 /nfs/dbraw/zinc/75/72/67/1434757267.db2.gz PKIAQJJTXDOBEE-AUUYWEPGSA-N 0 1 377.847 3.062 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cccnc2Oc2cccc(F)c2)n[nH]1 ZINC000270657703 1434757490 /nfs/dbraw/zinc/75/74/90/1434757490.db2.gz JVAQCZKOCUGKND-GFCCVEGCSA-N 0 1 384.415 3.254 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)n(-c2ccccc2)n1 ZINC000270659633 1434758006 /nfs/dbraw/zinc/75/80/06/1434758006.db2.gz NJMXRJCARJBEPY-HOCLYGCPSA-N 0 1 395.511 3.414 20 0 GGADMN CCOCCOCc1cccc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270661291 1434758164 /nfs/dbraw/zinc/75/81/64/1434758164.db2.gz KFQVAHDVFSNVPT-OAHLLOKOSA-N 0 1 389.500 3.042 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)n[nH]1 ZINC000270662082 1434758447 /nfs/dbraw/zinc/75/84/47/1434758447.db2.gz NSEDKYVXVKCYSD-ZDUSSCGKSA-N 0 1 389.525 3.133 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270665404 1434758805 /nfs/dbraw/zinc/75/88/05/1434758805.db2.gz KTJBOKANMZZBGZ-OAHLLOKOSA-N 0 1 395.511 3.350 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270665402 1434758882 /nfs/dbraw/zinc/75/88/82/1434758882.db2.gz KTJBOKANMZZBGZ-HNNXBMFYSA-N 0 1 395.511 3.350 20 0 GGADMN Cc1c(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1C(=O)N1CCCC1 ZINC000270665485 1434758971 /nfs/dbraw/zinc/75/89/71/1434758971.db2.gz KVAHVQJAQWSJRK-AWEZNQCLSA-N 0 1 384.484 3.355 20 0 GGADMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cnc3cnccn23)c1 ZINC000270671121 1434759670 /nfs/dbraw/zinc/75/96/70/1434759670.db2.gz QMXQAHLRYIPCAF-OAHLLOKOSA-N 0 1 396.470 3.293 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2cc(N(C)C)nc3ccccc23)n[nH]1 ZINC000270674728 1434760000 /nfs/dbraw/zinc/76/00/00/1434760000.db2.gz PGFFHHVXMOJGBU-ZDUSSCGKSA-N 0 1 381.484 3.103 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000270678541 1434760742 /nfs/dbraw/zinc/76/07/42/1434760742.db2.gz PUJBZVLNNLZQRU-ZIAGYGMSSA-N 0 1 389.500 3.184 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(S[C@@H](C)CC)cc2C)n[nH]1 ZINC000270689988 1434762554 /nfs/dbraw/zinc/76/25/54/1434762554.db2.gz RBYHWUHSKRKLAW-QWHCGFSZSA-N 0 1 389.525 3.382 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)n[nH]1 ZINC000270691063 1434762620 /nfs/dbraw/zinc/76/26/20/1434762620.db2.gz RGUYWLKSPNAHDH-LLVKDONJSA-N 0 1 397.401 3.239 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2ccc(C)cc2OCC(F)(F)F)n[nH]1 ZINC000270689995 1434762681 /nfs/dbraw/zinc/76/26/81/1434762681.db2.gz RCDWRJSXFKWVSW-NSHDSACASA-N 0 1 385.390 3.177 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000270705933 1434764617 /nfs/dbraw/zinc/76/46/17/1434764617.db2.gz UIGGDTPYMTXEPE-NXEZZACHSA-N 0 1 389.847 3.192 20 0 GGADMN CC(C)CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000270710779 1434765101 /nfs/dbraw/zinc/76/51/01/1434765101.db2.gz UZEWPQRKKRVRNE-CQSZACIVSA-N 0 1 387.484 3.169 20 0 GGADMN CCc1nc([C@@H](C)NCc2cccc(NC(=O)c3ccc(OC)cc3)c2)n[nH]1 ZINC000270711686 1434765359 /nfs/dbraw/zinc/76/53/59/1434765359.db2.gz LQWMATIOFKTVRP-CQSZACIVSA-N 0 1 379.464 3.479 20 0 GGADMN C[C@H](CO)CCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270725473 1434766779 /nfs/dbraw/zinc/76/67/79/1434766779.db2.gz XIWLBNYMOJKZHI-DHSIGJKJSA-N 0 1 385.911 3.180 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)n[nH]1 ZINC000270727182 1434767138 /nfs/dbraw/zinc/76/71/38/1434767138.db2.gz JBUHMJFWGIWJPJ-NSHDSACASA-N 0 1 388.859 3.442 20 0 GGADMN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270730758 1434767562 /nfs/dbraw/zinc/76/75/62/1434767562.db2.gz YJEPZEMCTHGCRA-AWEZNQCLSA-N 0 1 392.463 3.114 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2ccccc2c(=O)[nH]1 ZINC000270738126 1434768423 /nfs/dbraw/zinc/76/84/23/1434768423.db2.gz BUGWYEVTBQZRBV-UHFFFAOYSA-N 0 1 377.444 3.149 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)n[nH]1 ZINC000270738424 1434768428 /nfs/dbraw/zinc/76/84/28/1434768428.db2.gz 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CC(C)c1nc([C@@H](C)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n[nH]1 ZINC000270756494 1434770626 /nfs/dbraw/zinc/77/06/26/1434770626.db2.gz NTRDVDBYGGLRRH-OAHLLOKOSA-N 0 1 399.495 3.154 20 0 GGADMN CCOc1ccc(-c2nc(CC(=O)N[C@@H](C)c3n[nH]c(CC)n3)cs2)cc1 ZINC000270757489 1434770876 /nfs/dbraw/zinc/77/08/76/1434770876.db2.gz NZXBQIYNQDQUNW-LBPRGKRZSA-N 0 1 385.493 3.309 20 0 GGADMN CC(C)OC(=O)NCc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000270757916 1434770889 /nfs/dbraw/zinc/77/08/89/1434770889.db2.gz PSWAMMMOVZMXPR-CYBMUJFWSA-N 0 1 388.472 3.445 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 ZINC000270758819 1434771257 /nfs/dbraw/zinc/77/12/57/1434771257.db2.gz PYRODAFVPXVOIX-QWHCGFSZSA-N 0 1 386.456 3.006 20 0 GGADMN Cc1nccn1-c1ccc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1F ZINC000270759611 1434771270 /nfs/dbraw/zinc/77/12/70/1434771270.db2.gz QCEPKGKZQBBCRM-GFCCVEGCSA-N 0 1 385.447 3.122 20 0 GGADMN Cc1nccn1-c1ccc(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1F ZINC000270759612 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IREQPRAKCFXCET-INIZCTEOSA-N 0 1 382.512 3.483 20 0 GGADMN O=C(COc1ccccc1C(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270862971 1434782441 /nfs/dbraw/zinc/78/24/41/1434782441.db2.gz LZRJOEJZHNCWDK-CYBMUJFWSA-N 0 1 394.397 3.486 20 0 GGADMN O=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270862230 1434782503 /nfs/dbraw/zinc/78/25/03/1434782503.db2.gz KAPWOOKUKUFPSU-LLVKDONJSA-N 0 1 385.453 3.205 20 0 GGADMN O=C(Nc1ccn(-c2ccccc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270888885 1434785426 /nfs/dbraw/zinc/78/54/26/1434785426.db2.gz QTDNJQDHYAKRLY-HNNXBMFYSA-N 0 1 377.452 3.279 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000270903042 1434786600 /nfs/dbraw/zinc/78/66/00/1434786600.db2.gz VEWLUSIGFYYEBT-ZDUSSCGKSA-N 0 1 384.440 3.272 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)(C)C)n[nH]1 ZINC000270925425 1434788298 /nfs/dbraw/zinc/78/82/98/1434788298.db2.gz VAZYPXQAOZKJQY-NSHDSACASA-N 0 1 391.447 3.060 20 0 GGADMN 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COc1cccc(-c2nc(CN3CCC(CCC(N)=O)CC3)cs2)c1OC ZINC000271276854 1434812553 /nfs/dbraw/zinc/81/25/53/1434812553.db2.gz YQVRFBTWOVCUKU-UHFFFAOYSA-N 0 1 389.521 3.305 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@@H](C)C2)N2CCCCC2)cc1 ZINC000271293435 1434813830 /nfs/dbraw/zinc/81/38/30/1434813830.db2.gz RXGVKRKZNDBDGS-HQRMLTQVSA-N 0 1 375.513 3.089 20 0 GGADMN COCc1ccc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)o1 ZINC000271298639 1434814296 /nfs/dbraw/zinc/81/42/96/1434814296.db2.gz TUWKBNNMOIJYQS-UHFFFAOYSA-N 0 1 382.501 3.322 20 0 GGADMN Cc1n[nH]c(C)c1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000271329083 1434816494 /nfs/dbraw/zinc/81/64/94/1434816494.db2.gz MUDLLLWAENHODK-UHFFFAOYSA-N 0 1 390.535 3.398 20 0 GGADMN C[C@H]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@@H]1n1ccnc1 ZINC000271337930 1434817155 /nfs/dbraw/zinc/81/71/55/1434817155.db2.gz WSGPYGCUDVPLCL-LPHOPBHVSA-N 0 1 396.516 3.128 20 0 GGADMN CCN(C[C@H]1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1)CC(F)(F)F ZINC000271360003 1434818997 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GGADMN CCOCCO[C@H]1CCN(Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000271408952 1434822709 /nfs/dbraw/zinc/82/27/09/1434822709.db2.gz XEOQCABXRRYLKF-NRFANRHFSA-N 0 1 386.492 3.297 20 0 GGADMN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000271430433 1434824154 /nfs/dbraw/zinc/82/41/54/1434824154.db2.gz RPOXJQAYIGSSSA-APPDUMDISA-N 0 1 399.472 3.139 20 0 GGADMN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000271430440 1434824159 /nfs/dbraw/zinc/82/41/59/1434824159.db2.gz RPOXJQAYIGSSSA-GTNSWQLSSA-N 0 1 399.472 3.139 20 0 GGADMN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000271430437 1434824163 /nfs/dbraw/zinc/82/41/63/1434824163.db2.gz RPOXJQAYIGSSSA-DIFFPNOSSA-N 0 1 399.472 3.139 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000271455302 1434826212 /nfs/dbraw/zinc/82/62/12/1434826212.db2.gz GQLDLLQZBZVPDA-OXJNMPFZSA-N 0 1 386.517 3.245 20 0 GGADMN Cc1ocnc1CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271463147 1434826850 /nfs/dbraw/zinc/82/68/50/1434826850.db2.gz CBZSJNNCQYJMKK-CXAGYDPISA-N 0 1 380.851 3.268 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000271468692 1434827426 /nfs/dbraw/zinc/82/74/26/1434827426.db2.gz LJGRUBWKWSURED-HZPDHXFCSA-N 0 1 386.517 3.109 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271482397 1434828486 /nfs/dbraw/zinc/82/84/86/1434828486.db2.gz STPQWWQRJPGKHL-WDEREUQCSA-N 0 1 378.301 3.420 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000271485328 1434828708 /nfs/dbraw/zinc/82/87/08/1434828708.db2.gz NZQUJQGAVCPRAK-RDTXWAMCSA-N 0 1 390.480 3.075 20 0 GGADMN C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000271490731 1434829197 /nfs/dbraw/zinc/82/91/97/1434829197.db2.gz OXRKKBMMNVGCJR-OXQOHEQNSA-N 0 1 379.460 3.095 20 0 GGADMN C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000271490727 1434829322 /nfs/dbraw/zinc/82/93/22/1434829322.db2.gz OXRKKBMMNVGCJR-JXFKEZNVSA-N 0 1 379.460 3.095 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271496166 1434829742 /nfs/dbraw/zinc/82/97/42/1434829742.db2.gz LOXMEIKJFAWLHS-LSDHHAIUSA-N 0 1 393.557 3.370 20 0 GGADMN CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000271500765 1434829848 /nfs/dbraw/zinc/82/98/48/1434829848.db2.gz KNOKJYJTRPMRIN-UHFFFAOYSA-N 0 1 393.484 3.291 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000271505097 1434830218 /nfs/dbraw/zinc/83/02/18/1434830218.db2.gz MMUZAEVXHPFZOC-JXQWACKNSA-N 0 1 395.546 3.248 20 0 GGADMN COCCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271512203 1434830829 /nfs/dbraw/zinc/83/08/29/1434830829.db2.gz SMGNNUXMNGRJAC-XLIONFOSSA-N 0 1 398.503 3.172 20 0 GGADMN COCCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271512201 1434830890 /nfs/dbraw/zinc/83/08/90/1434830890.db2.gz SMGNNUXMNGRJAC-PXNSSMCTSA-N 0 1 398.503 3.172 20 0 GGADMN COc1ccc(C(=O)N2CCC(N[C@@H](C)c3cscn3)CC2)cc1OC ZINC000271516671 1434831247 /nfs/dbraw/zinc/83/12/47/1434831247.db2.gz POEWKGWFSVGZJN-ZDUSSCGKSA-N 0 1 375.494 3.116 20 0 GGADMN COc1cc(OC)c([C@H](C)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000271533980 1434832622 /nfs/dbraw/zinc/83/26/22/1434832622.db2.gz RQMLSIKHBSBDLI-JOQOYGCGSA-N 0 1 379.884 3.492 20 0 GGADMN C[C@@H](NCc1cccnc1OCC(F)F)c1cccc(N2CCOCC2)c1 ZINC000271544694 1434833653 /nfs/dbraw/zinc/83/36/53/1434833653.db2.gz RGIDIWODLJUGHU-OAHLLOKOSA-N 0 1 377.435 3.413 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271550140 1434834067 /nfs/dbraw/zinc/83/40/67/1434834067.db2.gz UTKXRWHJRDPGDG-KDOFPFPSSA-N 0 1 376.526 3.168 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(N3CCOC3=O)cc2)C1=O ZINC000271558065 1434834689 /nfs/dbraw/zinc/83/46/89/1434834689.db2.gz XDXDHYIOLARDOW-YJBOKZPZSA-N 0 1 395.459 3.108 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000271569562 1434835841 /nfs/dbraw/zinc/83/58/41/1434835841.db2.gz WXGWVSQKAHLNSP-UHFFFAOYSA-N 0 1 397.475 3.055 20 0 GGADMN Cc1cc(C2CCN([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)n[nH]1 ZINC000271592696 1434837610 /nfs/dbraw/zinc/83/76/10/1434837610.db2.gz GAOWZUQNLXKILU-MRXNPFEDSA-N 0 1 379.508 3.126 20 0 GGADMN Cc1cc(C2CCN([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)[nH]n1 ZINC000271592696 1434837611 /nfs/dbraw/zinc/83/76/11/1434837611.db2.gz GAOWZUQNLXKILU-MRXNPFEDSA-N 0 1 379.508 3.126 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000271595118 1434837713 /nfs/dbraw/zinc/83/77/13/1434837713.db2.gz KLHJJOZPXKQQOD-AWEZNQCLSA-N 0 1 385.468 3.447 20 0 GGADMN Cc1cc(C2CCN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CC2)[nH]n1 ZINC000271598345 1434838086 /nfs/dbraw/zinc/83/80/86/1434838086.db2.gz HKHJTAWKOXUAHT-UHFFFAOYSA-N 0 1 391.401 3.092 20 0 GGADMN CCc1nn(C)cc1NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000271602928 1434838403 /nfs/dbraw/zinc/83/84/03/1434838403.db2.gz ZXTXESOANFYLIJ-UHFFFAOYSA-N 0 1 399.520 3.180 20 0 GGADMN COC(=O)c1oc([C@H](C)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1C ZINC000271604159 1434838483 /nfs/dbraw/zinc/83/84/83/1434838483.db2.gz IWEXHVQJGJGUIM-AWEZNQCLSA-N 0 1 386.448 3.492 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000271632560 1434840547 /nfs/dbraw/zinc/84/05/47/1434840547.db2.gz DPTUGNNQNDOQJY-INIZCTEOSA-N 0 1 386.492 3.207 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000271637635 1434840987 /nfs/dbraw/zinc/84/09/87/1434840987.db2.gz CCEJFBLHUXIOPO-ZDUSSCGKSA-N 0 1 386.448 3.204 20 0 GGADMN COc1cc(NC(=O)CN[C@H](CCO)c2ccccc2)c(OC)cc1Cl ZINC000271645326 1434841452 /nfs/dbraw/zinc/84/14/52/1434841452.db2.gz IBIGMAYDWHUHTE-OAHLLOKOSA-N 0 1 378.856 3.009 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN3CCC(c4cc(C)n[nH]4)CC3)nc2c1 ZINC000271646943 1434841692 /nfs/dbraw/zinc/84/16/92/1434841692.db2.gz TXLFQXNWZACSRP-UHFFFAOYSA-N 0 1 388.493 3.033 20 0 GGADMN O=C(CN[C@@H](CCO)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000271650572 1434841876 /nfs/dbraw/zinc/84/18/76/1434841876.db2.gz IYOAFDYSMPCMJS-FQEVSTJZSA-N 0 1 395.503 3.011 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCc2cccnc2)ccc1OCCC(C)C ZINC000271653558 1434842111 /nfs/dbraw/zinc/84/21/11/1434842111.db2.gz JONZTPKPWAYHOP-KRWDZBQOSA-N 0 1 385.508 3.482 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC ZINC000271657282 1434842529 /nfs/dbraw/zinc/84/25/29/1434842529.db2.gz GCYCWORFEKHZHW-NSHDSACASA-N 0 1 380.391 3.280 20 0 GGADMN COC1(C)CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000271666418 1434842905 /nfs/dbraw/zinc/84/29/05/1434842905.db2.gz ZICFFSCLNFHJLZ-ROUUACIJSA-N 0 1 389.540 3.006 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cc(OC)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000271670952 1434843192 /nfs/dbraw/zinc/84/31/92/1434843192.db2.gz MNEVMUTZLXOPTH-MRXNPFEDSA-N 0 1 386.448 3.154 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC(C)(OC)CC2)N2CCCC2)c1 ZINC000271674076 1434843398 /nfs/dbraw/zinc/84/33/98/1434843398.db2.gz HBYNFTMFOPQAPY-IBGZPJMESA-N 0 1 375.513 3.043 20 0 GGADMN COc1cccc(C2(NCC(=O)Nc3ccccc3C(=O)NC(C)C)CC2)c1 ZINC000271673971 1434843410 /nfs/dbraw/zinc/84/34/10/1434843410.db2.gz DWBXEOHNECQWOL-UHFFFAOYSA-N 0 1 381.476 3.051 20 0 GGADMN COC(=O)C1CCN(C(=O)CN[C@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC000271677509 1434843551 /nfs/dbraw/zinc/84/35/51/1434843551.db2.gz BDAKQBKCYWBNIS-OAQYLSRUSA-N 0 1 398.478 3.111 20 0 GGADMN COc1cccc([C@H](C)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000271683105 1434843967 /nfs/dbraw/zinc/84/39/67/1434843967.db2.gz PIWBLRQWZRELKF-KRWDZBQOSA-N 0 1 383.492 3.026 20 0 GGADMN COc1cccc([C@@H](C)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000271683107 1434843988 /nfs/dbraw/zinc/84/39/88/1434843988.db2.gz PIWBLRQWZRELKF-QGZVFWFLSA-N 0 1 383.492 3.026 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000271686072 1434844132 /nfs/dbraw/zinc/84/41/32/1434844132.db2.gz CZHZUTUOFDARSB-KSSFIOAISA-N 0 1 397.475 3.484 20 0 GGADMN COC(=O)C1CCN(C(=O)CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000271685098 1434844153 /nfs/dbraw/zinc/84/41/53/1434844153.db2.gz CVYFEBXJPLHTTK-SFHVURJKSA-N 0 1 382.451 3.053 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(C(F)(F)F)cn1 ZINC000271687151 1434844234 /nfs/dbraw/zinc/84/42/34/1434844234.db2.gz DPZLXSHVTRJDTL-UHFFFAOYSA-N 0 1 379.382 3.309 20 0 GGADMN COC(=O)C1CCN(C(=O)CNC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000271688039 1434844390 /nfs/dbraw/zinc/84/43/90/1434844390.db2.gz DMQYQLIKCQKYQO-UHFFFAOYSA-N 0 1 398.425 3.086 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2ccccc2[nH]c1=O ZINC000271693183 1434844673 /nfs/dbraw/zinc/84/46/73/1434844673.db2.gz FQVAPORYGKZNIJ-UHFFFAOYSA-N 0 1 377.444 3.149 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(OC)cc2)c1 ZINC000271702851 1434845018 /nfs/dbraw/zinc/84/50/18/1434845018.db2.gz SYCBJMRFNGTUGZ-MRXNPFEDSA-N 0 1 383.492 3.467 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000271704207 1434845156 /nfs/dbraw/zinc/84/51/56/1434845156.db2.gz HZIXPSQRTUSXDD-UHFFFAOYSA-N 0 1 395.434 3.289 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000271704865 1434845235 /nfs/dbraw/zinc/84/52/35/1434845235.db2.gz TVBAIHSGFWCZBI-CQSZACIVSA-N 0 1 388.464 3.400 20 0 GGADMN Cc1ocnc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000271726564 1434846418 /nfs/dbraw/zinc/84/64/18/1434846418.db2.gz YNBYDUFFHMWDQW-OAHLLOKOSA-N 0 1 382.386 3.076 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(C(C)=O)cc3)ccc2NC1=O ZINC000271727996 1434846447 /nfs/dbraw/zinc/84/64/47/1434846447.db2.gz MXWVTUXIIYTEEJ-YJYMSZOUSA-N 0 1 395.459 3.288 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3ccc(C(C)=O)cc3)ccc2NC1=O ZINC000271727993 1434846491 /nfs/dbraw/zinc/84/64/91/1434846491.db2.gz MXWVTUXIIYTEEJ-ORAYPTAESA-N 0 1 395.459 3.288 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(OC)c3)ccc2NC1=O ZINC000271733570 1434846896 /nfs/dbraw/zinc/84/68/96/1434846896.db2.gz NVDWPFPCCXKLBG-FZKQIMNGSA-N 0 1 383.448 3.094 20 0 GGADMN CC[C@H](NCc1cnc(OC)c(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000271735891 1434847002 /nfs/dbraw/zinc/84/70/02/1434847002.db2.gz HQTICDIOLQSQHB-KRWDZBQOSA-N 0 1 391.899 3.452 20 0 GGADMN C[C@@H](NCC(=O)N(C)C1CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271735877 1434847117 /nfs/dbraw/zinc/84/71/17/1434847117.db2.gz HPWVLTDGIVRRQY-OAHLLOKOSA-N 0 1 383.467 3.278 20 0 GGADMN O=C(CN[C@@H](CCO)c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000271738159 1434847180 /nfs/dbraw/zinc/84/71/80/1434847180.db2.gz ICQZTXIDSLCLER-QFIPXVFZSA-N 0 1 389.499 3.497 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000271740053 1434847201 /nfs/dbraw/zinc/84/72/01/1434847201.db2.gz DYQWCPSGNLYTCO-FGEZKYSXSA-N 0 1 381.839 3.050 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC ZINC000271740362 1434847415 /nfs/dbraw/zinc/84/74/15/1434847415.db2.gz IOCFOONZDQOMKO-NSHDSACASA-N 0 1 380.391 3.280 20 0 GGADMN CCCOCc1ccccc1CNC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC000271740769 1434847444 /nfs/dbraw/zinc/84/74/44/1434847444.db2.gz CGEZDQFDYUIGJM-QFIPXVFZSA-N 0 1 384.520 3.333 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271743782 1434847592 /nfs/dbraw/zinc/84/75/92/1434847592.db2.gz VZQVHQXCGLWFAE-CABCVRRESA-N 0 1 392.496 3.091 20 0 GGADMN CCCCOCCNC(=O)CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271747483 1434847784 /nfs/dbraw/zinc/84/77/84/1434847784.db2.gz JWPNSGUZIVLSFD-GOSISDBHSA-N 0 1 385.508 3.244 20 0 GGADMN C[C@H](NCC(=O)NCC1CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271758325 1434848355 /nfs/dbraw/zinc/84/83/55/1434848355.db2.gz MAGZNQDBNKYEKA-HNNXBMFYSA-N 0 1 383.467 3.184 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1([C@H](C)CCO)CCC1 ZINC000271759352 1434848367 /nfs/dbraw/zinc/84/83/67/1434848367.db2.gz AYSYDHWFOAHQQP-GOSISDBHSA-N 0 1 388.556 3.057 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC ZINC000271765919 1434848926 /nfs/dbraw/zinc/84/89/26/1434848926.db2.gz NFLVSVVNXSIGSC-CYBMUJFWSA-N 0 1 386.448 3.204 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc2c(c1)CC(=O)N2C ZINC000271766894 1434848948 /nfs/dbraw/zinc/84/89/48/1434848948.db2.gz CCMJUCHUIUJIBR-LLVKDONJSA-N 0 1 375.831 3.287 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC ZINC000271765924 1434848953 /nfs/dbraw/zinc/84/89/53/1434848953.db2.gz NFLVSVVNXSIGSC-ZDUSSCGKSA-N 0 1 386.448 3.204 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271765323 1434848963 /nfs/dbraw/zinc/84/89/63/1434848963.db2.gz BUQJIBVTSCOANV-GFCCVEGCSA-N 0 1 387.867 3.157 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000271768592 1434849157 /nfs/dbraw/zinc/84/91/57/1434849157.db2.gz CNOPAGFZMYIBTM-DLBZAZTESA-N 0 1 379.504 3.350 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000271768596 1434849213 /nfs/dbraw/zinc/84/92/13/1434849213.db2.gz CNOPAGFZMYIBTM-IAGOWNOFSA-N 0 1 379.504 3.350 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3cc(C)ccc3OC)ccc2NC1=O ZINC000271773247 1434849464 /nfs/dbraw/zinc/84/94/64/1434849464.db2.gz XWYXVAKUFGGRNJ-KSSFIOAISA-N 0 1 397.475 3.402 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc([S@](C)=O)cc1 ZINC000271781248 1434850039 /nfs/dbraw/zinc/85/00/39/1434850039.db2.gz GTOAITCDCVNBEG-RIDFSIMASA-N 0 1 376.497 3.261 20 0 GGADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCO1 ZINC000271781583 1434850123 /nfs/dbraw/zinc/85/01/23/1434850123.db2.gz VQPJLILCUHWFGR-KBXCAEBGSA-N 0 1 378.469 3.284 20 0 GGADMN C[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000271782917 1434850244 /nfs/dbraw/zinc/85/02/44/1434850244.db2.gz PHNAKZTXBAZRCC-QWRGUYRKSA-N 0 1 390.390 3.135 20 0 GGADMN C[C@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc2c(c1)CC(=O)N2C ZINC000271785734 1434850487 /nfs/dbraw/zinc/85/04/87/1434850487.db2.gz GXJAHZLAGLQTAL-ZDUSSCGKSA-N 0 1 394.500 3.129 20 0 GGADMN CSc1ccc(C)c(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000271789152 1434850833 /nfs/dbraw/zinc/85/08/33/1434850833.db2.gz CZNAPCUBSNOVOD-UHFFFAOYSA-N 0 1 385.537 3.185 20 0 GGADMN CCOCCOCc1cccc(CN[C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000271794767 1434850943 /nfs/dbraw/zinc/85/09/43/1434850943.db2.gz JXPFXDXHPAZMDM-GOSISDBHSA-N 0 1 391.533 3.192 20 0 GGADMN CCOc1nnc(CN[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)s1 ZINC000271795687 1434851143 /nfs/dbraw/zinc/85/11/43/1434851143.db2.gz LDOYOQGONGVXTF-AWEZNQCLSA-N 0 1 393.532 3.069 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000271795059 1434851150 /nfs/dbraw/zinc/85/11/50/1434851150.db2.gz RFYCWVDCEOIVRG-GFCCVEGCSA-N 0 1 377.412 3.489 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000271795061 1434851160 /nfs/dbraw/zinc/85/11/60/1434851160.db2.gz RFYCWVDCEOIVRG-LBPRGKRZSA-N 0 1 377.412 3.489 20 0 GGADMN COc1cccc(CNC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271802779 1434851544 /nfs/dbraw/zinc/85/15/44/1434851544.db2.gz MOMZOVUJHNSGBR-CVEARBPZSA-N 0 1 397.475 3.007 20 0 GGADMN C[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271804060 1434851715 /nfs/dbraw/zinc/85/17/15/1434851715.db2.gz KSHPNUXPFJZQQZ-KBPBESRZSA-N 0 1 385.895 3.387 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000271803271 1434851754 /nfs/dbraw/zinc/85/17/54/1434851754.db2.gz SKNWOBOUYGCQLU-AWEZNQCLSA-N 0 1 395.459 3.111 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271809356 1434852037 /nfs/dbraw/zinc/85/20/37/1434852037.db2.gz OAGFDIDYORMFCQ-HOTGVXAUSA-N 0 1 397.475 3.180 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271823068 1434852787 /nfs/dbraw/zinc/85/27/87/1434852787.db2.gz NGWDTZULFKXIDR-PWFNWSNSSA-N 0 1 391.537 3.040 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271824064 1434852876 /nfs/dbraw/zinc/85/28/76/1434852876.db2.gz QOALSCQPHQBBOS-HNNXBMFYSA-N 0 1 383.448 3.331 20 0 GGADMN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000271826465 1434853080 /nfs/dbraw/zinc/85/30/80/1434853080.db2.gz NYBIJGKOYRKBOO-UHFFFAOYSA-N 0 1 375.490 3.335 20 0 GGADMN C[C@H](OCCCNC(=O)CN[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271828246 1434853260 /nfs/dbraw/zinc/85/32/60/1434853260.db2.gz TWSGBAODNICYNF-UGKGYDQZSA-N 0 1 384.520 3.374 20 0 GGADMN C[C@H](OCCCNC(=O)CN[C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271828242 1434853285 /nfs/dbraw/zinc/85/32/85/1434853285.db2.gz TWSGBAODNICYNF-SIKLNZKXSA-N 0 1 384.520 3.374 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000271832021 1434853496 /nfs/dbraw/zinc/85/34/96/1434853496.db2.gz PXECZDUXDSZTOX-UHFFFAOYSA-N 0 1 378.301 3.422 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271844094 1434854348 /nfs/dbraw/zinc/85/43/48/1434854348.db2.gz QBKYJEAAVNTLRO-MRXNPFEDSA-N 0 1 392.503 3.095 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000271853996 1434854850 /nfs/dbraw/zinc/85/48/50/1434854850.db2.gz XDYBGBPJXHFBOW-HUUCEWRRSA-N 0 1 383.448 3.330 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271855597 1434855100 /nfs/dbraw/zinc/85/51/00/1434855100.db2.gz XUCIETWCRHTIHP-HZPDHXFCSA-N 0 1 397.475 3.180 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000271860334 1434855492 /nfs/dbraw/zinc/85/54/92/1434855492.db2.gz YJTKRHVHFVPGOE-MDNHHPLHSA-N 0 1 390.505 3.119 20 0 GGADMN C[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)CC(=O)N2C ZINC000271866752 1434855754 /nfs/dbraw/zinc/85/57/54/1434855754.db2.gz VDFGXMKDGVSYAH-NSHDSACASA-N 0 1 398.463 3.244 20 0 GGADMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271876340 1434856505 /nfs/dbraw/zinc/85/65/05/1434856505.db2.gz XSUSZIVFRQZUBW-CABCVRRESA-N 0 1 383.467 3.215 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc2c1N=S=N2)c1ccc2c(c1)CC(=O)N2C ZINC000271876416 1434856597 /nfs/dbraw/zinc/85/65/97/1434856597.db2.gz XULOSVAJRDQJKK-LLVKDONJSA-N 0 1 381.461 3.221 20 0 GGADMN CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCO1 ZINC000271880172 1434856681 /nfs/dbraw/zinc/85/66/81/1434856681.db2.gz 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CN(C)Cc1ccsc1C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000272005960 1434865327 /nfs/dbraw/zinc/86/53/27/1434865327.db2.gz YAKUVHBXUVTXPK-HNNXBMFYSA-N 0 1 395.887 3.138 20 0 GGADMN C[C@@]1(CCCO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000272010993 1434865745 /nfs/dbraw/zinc/86/57/45/1434865745.db2.gz KGBFOCAXECTVGW-UTKZUKDTSA-N 0 1 385.464 3.177 20 0 GGADMN Cc1ccc(C)n1C1CCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000272013785 1434865867 /nfs/dbraw/zinc/86/58/67/1434865867.db2.gz CCYXAUSTTMKVJP-OAQYLSRUSA-N 0 1 390.549 3.053 20 0 GGADMN COCCOc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccn1 ZINC000272018996 1434866418 /nfs/dbraw/zinc/86/64/18/1434866418.db2.gz HKRXZLHDNDUCAM-KRWDZBQOSA-N 0 1 382.420 3.087 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCO1 ZINC000272021817 1434866778 /nfs/dbraw/zinc/86/67/78/1434866778.db2.gz VTOSFMWIBJOEGN-QUCCMNQESA-N 0 1 394.519 3.157 20 0 GGADMN CC(=O)N[C@H](CC(=O)N1CCC(c2cc(C)[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000272036334 1434867806 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/nfs/dbraw/zinc/88/05/90/1434880590.db2.gz AHHVCDNNQLBICZ-RSPOEFSDSA-N 0 1 375.465 3.228 20 0 GGADMN Cc1[nH]nc2ncc(C(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)cc12 ZINC000272239492 1434880741 /nfs/dbraw/zinc/88/07/41/1434880741.db2.gz NIARAOZLDSCVOS-HNNXBMFYSA-N 0 1 393.495 3.452 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[nH]1 ZINC000272259115 1434882246 /nfs/dbraw/zinc/88/22/46/1434882246.db2.gz QFFBDNUIPBJUQJ-GFCCVEGCSA-N 0 1 382.472 3.079 20 0 GGADMN Cc1noc(CCCC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272273680 1434883175 /nfs/dbraw/zinc/88/31/75/1434883175.db2.gz SHOHRBVUVICBRF-INIZCTEOSA-N 0 1 386.500 3.273 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272278622 1434883934 /nfs/dbraw/zinc/88/39/34/1434883934.db2.gz TURYKECQJVIRKZ-MRXNPFEDSA-N 0 1 385.516 3.010 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272278622 1434883936 /nfs/dbraw/zinc/88/39/36/1434883936.db2.gz TURYKECQJVIRKZ-MRXNPFEDSA-N 0 1 385.516 3.010 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCN2CCCCC2)c2ccc(F)cc2)c1 ZINC000272291448 1434884836 /nfs/dbraw/zinc/88/48/36/1434884836.db2.gz OGJOFHVCLDAIOG-NRFANRHFSA-N 0 1 390.524 3.394 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)n3nnnc3C(C)(C)C)[nH]c2c1 ZINC000272307242 1434885895 /nfs/dbraw/zinc/88/58/95/1434885895.db2.gz YNFPYOKAPKIHOO-XJKSGUPXSA-N 0 1 381.484 3.080 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)n3nnnc3C(C)(C)C)[nH]c2c1 ZINC000272307231 1434885966 /nfs/dbraw/zinc/88/59/66/1434885966.db2.gz YNFPYOKAPKIHOO-BBRMVZONSA-N 0 1 381.484 3.080 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)n3nnnc3C(C)(C)C)[nH]c2c1 ZINC000272307234 1434886002 /nfs/dbraw/zinc/88/60/02/1434886002.db2.gz YNFPYOKAPKIHOO-CJNGLKHVSA-N 0 1 381.484 3.080 20 0 GGADMN O=C(Cc1cn2ccccc2n1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272306118 1434886026 /nfs/dbraw/zinc/88/60/26/1434886026.db2.gz XMDYLEAFFDKEBR-QGZVFWFLSA-N 0 1 392.507 3.449 20 0 GGADMN Cc1nnc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)s1 ZINC000272311624 1434886425 /nfs/dbraw/zinc/88/64/25/1434886425.db2.gz YPQZYNCPTDCOKP-ZDUSSCGKSA-N 0 1 375.502 3.424 20 0 GGADMN Cc1c(C=CC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cnn1C ZINC000272311273 1434886436 /nfs/dbraw/zinc/88/64/36/1434886436.db2.gz YLKQHPUOYAGUOD-ZGKFYVQTSA-N 0 1 382.512 3.314 20 0 GGADMN Cn1cc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c(-c2ccccc2)n1 ZINC000272333383 1434887957 /nfs/dbraw/zinc/88/79/57/1434887957.db2.gz FPEWBTKDZBKQFU-UHFFFAOYSA-N 0 1 390.491 3.268 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000272358121 1434890145 /nfs/dbraw/zinc/89/01/45/1434890145.db2.gz PNTIPIGQWZVOMF-UHFFFAOYSA-N 0 1 386.883 3.394 20 0 GGADMN C[C@H](C(=O)NCCc1cccs1)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272378586 1434891859 /nfs/dbraw/zinc/89/18/59/1434891859.db2.gz BPHUNQRKNWDCEM-XHSDSOJGSA-N 0 1 395.569 3.030 20 0 GGADMN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272387791 1434892811 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COCC[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000272517824 1434903069 /nfs/dbraw/zinc/90/30/69/1434903069.db2.gz JLZMUVLVTUHIEU-LPHOPBHVSA-N 0 1 386.496 3.277 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524604 1434903993 /nfs/dbraw/zinc/90/39/93/1434903993.db2.gz QHUDORAGLKSEHX-KGLIPLIRSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524604 1434903995 /nfs/dbraw/zinc/90/39/95/1434903995.db2.gz QHUDORAGLKSEHX-KGLIPLIRSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000272537302 1434905355 /nfs/dbraw/zinc/90/53/55/1434905355.db2.gz RLSWFTGCOXXBBJ-UONOGXRCSA-N 0 1 380.460 3.427 20 0 GGADMN COCC[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C)o1 ZINC000272552176 1434906881 /nfs/dbraw/zinc/90/68/81/1434906881.db2.gz FIIMKTZVDWJYIU-CVEARBPZSA-N 0 1 387.484 3.250 20 0 GGADMN COCC[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccco1 ZINC000272550947 1434906899 /nfs/dbraw/zinc/90/68/99/1434906899.db2.gz MFRRVGUSLJBLRV-IBGZPJMESA-N 0 1 386.496 3.239 20 0 GGADMN COc1ccccc1C1(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000272558624 1434907716 /nfs/dbraw/zinc/90/77/16/1434907716.db2.gz GHIYUXJRLRWJLZ-INIZCTEOSA-N 0 1 395.507 3.312 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OC ZINC000272585095 1434910916 /nfs/dbraw/zinc/91/09/16/1434910916.db2.gz BNGIUKMFXOLLIC-PBHICJAKSA-N 0 1 376.522 3.363 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC ZINC000272585097 1434910930 /nfs/dbraw/zinc/91/09/30/1434910930.db2.gz BNGIUKMFXOLLIC-RHSMWYFYSA-N 0 1 376.522 3.363 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272610147 1434914616 /nfs/dbraw/zinc/91/46/16/1434914616.db2.gz VXEDISHHNBMOFK-XKQJLSEDSA-N 0 1 382.526 3.110 20 0 GGADMN COC[C@H](CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)OC ZINC000272615767 1434915473 /nfs/dbraw/zinc/91/54/73/1434915473.db2.gz ILICLMNEBJCZRM-QFBILLFUSA-N 0 1 392.883 3.279 20 0 GGADMN COCC[C@H](NCc1c(C)nn(CC(=O)OC(C)C)c1C)c1ccc(C)o1 ZINC000272616686 1434915726 /nfs/dbraw/zinc/91/57/26/1434915726.db2.gz LHTNVNAZYFIALR-SFHVURJKSA-N 0 1 377.485 3.220 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272620276 1434915962 /nfs/dbraw/zinc/91/59/62/1434915962.db2.gz LRWJPAOWNCRVJF-WMLDXEAASA-N 0 1 389.496 3.336 20 0 GGADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc3c(s2)CCOC3)cc1 ZINC000272624920 1434916564 /nfs/dbraw/zinc/91/65/64/1434916564.db2.gz JLENSLAYKWNJJB-SFHVURJKSA-N 0 1 386.517 3.396 20 0 GGADMN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000272668878 1434921184 /nfs/dbraw/zinc/92/11/84/1434921184.db2.gz JVJMJBWVEVZANB-GOSISDBHSA-N 0 1 396.443 3.237 20 0 GGADMN c1coc(-c2cc(-c3nc([C@@H]4CN(Cc5ccccc5)CCO4)no3)[nH]n2)c1 ZINC000272677074 1434921720 /nfs/dbraw/zinc/92/17/20/1434921720.db2.gz RFIQETGDGLPSLW-SFHVURJKSA-N 0 1 377.404 3.293 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cnn1C1CCCCC1 ZINC000272706999 1434924451 /nfs/dbraw/zinc/92/44/51/1434924451.db2.gz ULMYYGOGTGIFFY-UHFFFAOYSA-N 0 1 381.524 3.486 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272738098 1434927065 /nfs/dbraw/zinc/92/70/65/1434927065.db2.gz KIEOHBOKWSOHER-OAQYLSRUSA-N 0 1 397.494 3.498 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272738096 1434927129 /nfs/dbraw/zinc/92/71/29/1434927129.db2.gz KIEOHBOKWSOHER-NRFANRHFSA-N 0 1 397.494 3.498 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000272748555 1434927838 /nfs/dbraw/zinc/92/78/38/1434927838.db2.gz MYUZVOFUKXJNHQ-SPLOXXLWSA-N 0 1 397.475 3.118 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000272748554 1434927940 /nfs/dbraw/zinc/92/79/40/1434927940.db2.gz MYUZVOFUKXJNHQ-QKKBWIMNSA-N 0 1 397.475 3.118 20 0 GGADMN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272755819 1434928368 /nfs/dbraw/zinc/92/83/68/1434928368.db2.gz OWVZQEVIYFGHSP-CYBMUJFWSA-N 0 1 386.521 3.359 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC(CCCO)CC2)N2CCCC2)cc1 ZINC000272754571 1434928393 /nfs/dbraw/zinc/92/83/93/1434928393.db2.gz NCXXCYUMHYBBMC-OAQYLSRUSA-N 0 1 389.540 3.026 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC(CCCO)CC2)N2CCCC2)cc1 ZINC000272754570 1434928444 /nfs/dbraw/zinc/92/84/44/1434928444.db2.gz NCXXCYUMHYBBMC-NRFANRHFSA-N 0 1 389.540 3.026 20 0 GGADMN C[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)C1=CC[N@@H+](C)CC1 ZINC000272755368 1434928483 /nfs/dbraw/zinc/92/84/83/1434928483.db2.gz NXSKSWDLCIEIDY-QGZVFWFLSA-N 0 1 392.503 3.389 20 0 GGADMN C[C@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc([S@@](C)=O)cc1 ZINC000272769147 1434929577 /nfs/dbraw/zinc/92/95/77/1434929577.db2.gz AQGBQZHRZGTYIN-WHDAMIPWSA-N 0 1 387.530 3.347 20 0 GGADMN C[C@H]1COc2ccccc2CN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000272769233 1434929767 /nfs/dbraw/zinc/92/97/67/1434929767.db2.gz ARXLBILOLCJJNL-KRWDZBQOSA-N 0 1 380.492 3.039 20 0 GGADMN C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc([S@@](C)=O)cc1 ZINC000272769149 1434929777 /nfs/dbraw/zinc/92/97/77/1434929777.db2.gz AQGBQZHRZGTYIN-ZBSNKRKSSA-N 0 1 387.530 3.347 20 0 GGADMN C[C@H](NC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C1=CC[N@@H+](C)CC1 ZINC000272775073 1434930053 /nfs/dbraw/zinc/93/00/53/1434930053.db2.gz YELZOJABGNSCEN-LBPRGKRZSA-N 0 1 394.401 3.058 20 0 GGADMN COC(=O)c1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)[nH]1 ZINC000272776255 1434930379 /nfs/dbraw/zinc/93/03/79/1434930379.db2.gz ULUKHXOBTPJJOZ-UHFFFAOYSA-N 0 1 384.480 3.228 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)n[nH]1 ZINC000272797257 1434931685 /nfs/dbraw/zinc/93/16/85/1434931685.db2.gz AVKITNDIKGPXBN-UHFFFAOYSA-N 0 1 391.390 3.444 20 0 GGADMN COc1ccc(CN(C(=O)CN2CCC(c3cc(C)[nH]n3)CC2)C2CC2)cc1 ZINC000272882146 1434938475 /nfs/dbraw/zinc/93/84/75/1434938475.db2.gz COEPLFDCXUGUHK-UHFFFAOYSA-N 0 1 382.508 3.097 20 0 GGADMN COc1ccc(CN(C(=O)CN2CCC(c3cc(C)n[nH]3)CC2)C2CC2)cc1 ZINC000272882146 1434938476 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GGADMN COC[C@H](NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccccc1 ZINC000272917184 1434940817 /nfs/dbraw/zinc/94/08/17/1434940817.db2.gz IZIPPJXTWNATFD-SFHVURJKSA-N 0 1 377.481 3.016 20 0 GGADMN CCCOc1ccc(CNC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000272917416 1434941048 /nfs/dbraw/zinc/94/10/48/1434941048.db2.gz IKHJZSXOJXHSMD-OQRWROFFSA-N 0 1 388.533 3.180 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCCCC(=O)OCc2ccccc2)n[nH]1 ZINC000272956901 1434944175 /nfs/dbraw/zinc/94/41/75/1434944175.db2.gz HBGAWMLFHUQAEM-OAHLLOKOSA-N 0 1 387.484 3.202 20 0 GGADMN COCc1cc(CNC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)ccc1F ZINC000272977840 1434945878 /nfs/dbraw/zinc/94/58/78/1434945878.db2.gz UAHKUUIBWBSKQB-UHFFFAOYSA-N 0 1 395.471 3.114 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000272984189 1434946937 /nfs/dbraw/zinc/94/69/37/1434946937.db2.gz QVPKBPXSDOIWAY-QZXCRCNTSA-N 0 1 387.505 3.040 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@H](C)C2=CCN(C)CC2)s1 ZINC000273008506 1434949586 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GGADMN CCCNC(=O)c1cccc(CN[C@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000273219775 1434973131 /nfs/dbraw/zinc/97/31/31/1434973131.db2.gz VFUKOMBCFUAYGS-MRXNPFEDSA-N 0 1 384.476 3.229 20 0 GGADMN CCCN(C(=O)CCCCc1cn[nH]n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000273237518 1434974383 /nfs/dbraw/zinc/97/43/83/1434974383.db2.gz PQFZNFJBMVDLKJ-UHFFFAOYSA-N 0 1 397.523 3.061 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1cnn(C)c1 ZINC000273255410 1434976003 /nfs/dbraw/zinc/97/60/03/1434976003.db2.gz CQTWDEDRHHKCNQ-OAHLLOKOSA-N 0 1 380.496 3.193 20 0 GGADMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000273259844 1434976201 /nfs/dbraw/zinc/97/62/01/1434976201.db2.gz STKMXGXRXYCHKW-TZMCWYRMSA-N 0 1 396.413 3.009 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000273261680 1434976373 /nfs/dbraw/zinc/97/63/73/1434976373.db2.gz FWBHCTPIQVOBQJ-FLDNJWGVSA-N 0 1 375.490 3.388 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000273261679 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O=C(Nc1cccc(CN2CCSCC2)c1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000273449806 1434989670 /nfs/dbraw/zinc/98/96/70/1434989670.db2.gz XUIXACQNLNTLBC-LJQANCHMSA-N 0 1 399.516 3.050 20 0 GGADMN COc1ccc(COCCCNCc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000273464942 1434990300 /nfs/dbraw/zinc/99/03/00/1434990300.db2.gz ORMAZTWPEWCVBW-UHFFFAOYSA-N 0 1 397.924 3.449 20 0 GGADMN COc1ccccc1COC[C@H](O)CN[C@H](COCC(C)C)c1ccco1 ZINC000273473494 1434991034 /nfs/dbraw/zinc/99/10/34/1434991034.db2.gz GKICQHQXRDCTGU-RTBURBONSA-N 0 1 377.481 3.169 20 0 GGADMN CCn1cc(C(=O)N2CCCN(C(C)C)CC2)c(=O)c2cc(Cl)ccc21 ZINC000273486853 1434991779 /nfs/dbraw/zinc/99/17/79/1434991779.db2.gz MKSRCWKDMRNNST-UHFFFAOYSA-N 0 1 375.900 3.231 20 0 GGADMN CCN(C(=O)c1cccc2[nH]c(-c3cccs3)nc21)[C@H](C)CS(C)(=O)=O ZINC000273496621 1434992280 /nfs/dbraw/zinc/99/22/80/1434992280.db2.gz LLZFRMQXGFRIHV-GFCCVEGCSA-N 0 1 391.518 3.187 20 0 GGADMN COC(=O)Nc1ccc(CCNCc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000273499127 1434992553 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ZINC000273630157 1435000955 /nfs/dbraw/zinc/00/09/55/1435000955.db2.gz QDOVCARKOZRLTP-UHFFFAOYSA-N 0 1 379.434 3.070 20 0 GGADMN C[C@H](NC(=O)c1cccc2nc(-c3cccs3)[nH]c21)c1nnc2n1CCC2 ZINC000273644894 1435002084 /nfs/dbraw/zinc/00/20/84/1435002084.db2.gz ZQAXYBLPAUKZKD-NSHDSACASA-N 0 1 378.461 3.320 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccccc3COC3CCOCC3)CC2)n[nH]1 ZINC000273646315 1435002166 /nfs/dbraw/zinc/00/21/66/1435002166.db2.gz SZROOMLXBMLDAT-UHFFFAOYSA-N 0 1 383.492 3.434 20 0 GGADMN Cc1nnc([C@@H](C)NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)s1 ZINC000273649494 1435002351 /nfs/dbraw/zinc/00/23/51/1435002351.db2.gz WCFCHPCXQXUWAR-SSDOTTSWSA-N 0 1 384.387 3.031 20 0 GGADMN CC(=O)NC1CCC(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CC1 ZINC000273657086 1435003042 /nfs/dbraw/zinc/00/30/42/1435003042.db2.gz XINDQQQOCPERAD-UHFFFAOYSA-N 0 1 382.489 3.469 20 0 GGADMN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000273668880 1435003761 /nfs/dbraw/zinc/00/37/61/1435003761.db2.gz XKTBZZJFYUIKRY-FQEVSTJZSA-N 0 1 378.517 3.365 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)[nH]n1 ZINC000273746965 1435010344 /nfs/dbraw/zinc/01/03/44/1435010344.db2.gz BWMUOSOUAOMWAW-UHFFFAOYSA-N 0 1 381.415 3.349 20 0 GGADMN COC(=O)C[C@@H](C)c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000273764125 1435012010 /nfs/dbraw/zinc/01/20/10/1435012010.db2.gz AZVFZXUXSIZFLB-CYBMUJFWSA-N 0 1 392.887 3.199 20 0 GGADMN CCO[C@@H]1C[C@@H]1c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000273774438 1435012875 /nfs/dbraw/zinc/01/28/75/1435012875.db2.gz BWJCPNJZVXGACD-WMLDXEAASA-N 0 1 376.888 3.424 20 0 GGADMN CC(C)c1ncc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)s1 ZINC000273795967 1435015341 /nfs/dbraw/zinc/01/53/41/1435015341.db2.gz HEAYBJZXIBOQCH-HNNXBMFYSA-N 0 1 397.504 3.433 20 0 GGADMN Cc1nc(C2CC2)oc1-c1nc(-c2ccccc2CN2CCC[C@H]2C(N)=O)no1 ZINC000273823205 1435018407 /nfs/dbraw/zinc/01/84/07/1435018407.db2.gz JHCAGUZQUJHWGL-INIZCTEOSA-N 0 1 393.447 3.027 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000273848485 1435021271 /nfs/dbraw/zinc/02/12/71/1435021271.db2.gz JJWXDANEHMIQSI-RLFYNMQTSA-N 0 1 387.484 3.174 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000273848485 1435021273 /nfs/dbraw/zinc/02/12/73/1435021273.db2.gz JJWXDANEHMIQSI-RLFYNMQTSA-N 0 1 387.484 3.174 20 0 GGADMN CCCCCS(=O)(=O)Cc1nc(-c2cccc(CN3CCCC3)c2)no1 ZINC000273881171 1435024755 /nfs/dbraw/zinc/02/47/55/1435024755.db2.gz OPVLAQKUPJWDBN-UHFFFAOYSA-N 0 1 377.510 3.437 20 0 GGADMN CC(C)c1nc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)cs1 ZINC000273886302 1435025279 /nfs/dbraw/zinc/02/52/79/1435025279.db2.gz OEJWIMVOGPMOQS-INIZCTEOSA-N 0 1 397.504 3.433 20 0 GGADMN CC(C)c1nc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)cs1 ZINC000273886303 1435025324 /nfs/dbraw/zinc/02/53/24/1435025324.db2.gz OEJWIMVOGPMOQS-MRXNPFEDSA-N 0 1 397.504 3.433 20 0 GGADMN COc1ccc(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1Cl ZINC000273910449 1435027776 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389.525 3.052 20 0 GGADMN Cc1c(-c2cc(CN3CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C3)on2)cnn1C ZINC000274323729 1435061841 /nfs/dbraw/zinc/06/18/41/1435061841.db2.gz JACRCJCHCRMLRN-DYVFJYSZSA-N 0 1 389.500 3.119 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](c3n[nH]c(C4CC4)n3)C1)CCO2 ZINC000274329417 1435062226 /nfs/dbraw/zinc/06/22/26/1435062226.db2.gz FOUZDKCKBXKCMP-YOEHRIQHSA-N 0 1 397.479 3.104 20 0 GGADMN Cc1ccc(O)c(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000274346551 1435063740 /nfs/dbraw/zinc/06/37/40/1435063740.db2.gz QQRFILXBZMIKRA-ZDUSSCGKSA-N 0 1 381.425 3.056 20 0 GGADMN Cc1ccc(O)c(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000274346549 1435063800 /nfs/dbraw/zinc/06/38/00/1435063800.db2.gz QQRFILXBZMIKRA-CYBMUJFWSA-N 0 1 381.425 3.056 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274365025 1435065404 /nfs/dbraw/zinc/06/54/04/1435065404.db2.gz XWMRUWMZNGCCTA-CYBMUJFWSA-N 0 1 381.425 3.050 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274365028 1435065413 /nfs/dbraw/zinc/06/54/13/1435065413.db2.gz XWMRUWMZNGCCTA-ZDUSSCGKSA-N 0 1 381.425 3.050 20 0 GGADMN CCCOc1ccc(CNC(=O)CCCCc2cn[nH]n2)c(OC(F)F)c1 ZINC000274410076 1435068678 /nfs/dbraw/zinc/06/86/78/1435068678.db2.gz VGDUAUZWZKMLAU-UHFFFAOYSA-N 0 1 382.411 3.224 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNC1CCC(O)(c2cccnc2)CC1 ZINC000274413790 1435069154 /nfs/dbraw/zinc/06/91/54/1435069154.db2.gz IROSIQOTMLIPTD-UHFFFAOYSA-N 0 1 394.924 3.059 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)c2cc(C)c(C(=O)OC)o2)cc1 ZINC000274417738 1435069266 /nfs/dbraw/zinc/06/92/66/1435069266.db2.gz DFEITLLBNBTPCS-KGLIPLIRSA-N 0 1 375.421 3.338 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCc2cc(C(=O)OC)ccc2F)cc1 ZINC000274422586 1435069910 /nfs/dbraw/zinc/06/99/10/1435069910.db2.gz FCGNPQPIUTUWJV-CYBMUJFWSA-N 0 1 375.396 3.015 20 0 GGADMN Cc1[nH]ncc1CNC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000274426678 1435070132 /nfs/dbraw/zinc/07/01/32/1435070132.db2.gz VAJANAHIOFGSCZ-UHFFFAOYSA-N 0 1 391.781 3.054 20 0 GGADMN CCSc1cccc(CNCc2cccc(S(=O)(=O)NCCOC)c2)c1 ZINC000274429371 1435070406 /nfs/dbraw/zinc/07/04/06/1435070406.db2.gz MDSAJOIWFNKAQU-UHFFFAOYSA-N 0 1 394.562 3.013 20 0 GGADMN Cc1cnccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000274453410 1435072021 /nfs/dbraw/zinc/07/20/21/1435072021.db2.gz RICSHRULLAXPPU-UHFFFAOYSA-N 0 1 378.398 3.413 20 0 GGADMN CCc1nnc([C@H](C)NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)[nH]1 ZINC000274451265 1435072049 /nfs/dbraw/zinc/07/20/49/1435072049.db2.gz SJUKMRSRHMIMGO-SMDDNHRTSA-N 0 1 398.433 3.049 20 0 GGADMN OCC[C@@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000274464339 1435072832 /nfs/dbraw/zinc/07/28/32/1435072832.db2.gz YAHIMZKOIWCLAG-NHCUHLMSSA-N 0 1 381.472 3.460 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@H]1c1ccsc1 ZINC000274483291 1435073883 /nfs/dbraw/zinc/07/38/83/1435073883.db2.gz BOKNAZLWYWBPLE-INIZCTEOSA-N 0 1 383.477 3.492 20 0 GGADMN CSCCCCCCNC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274518338 1435076189 /nfs/dbraw/zinc/07/61/89/1435076189.db2.gz NBAZVGPPUOFQOK-UHFFFAOYSA-N 0 1 377.514 3.106 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000274525681 1435076527 /nfs/dbraw/zinc/07/65/27/1435076527.db2.gz AACJDZWBFSCMFW-ZIAGYGMSSA-N 0 1 382.386 3.369 20 0 GGADMN CSc1ccc(O[C@H](C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000274532390 1435077027 /nfs/dbraw/zinc/07/70/27/1435077027.db2.gz BUUQYIYPDFPRRF-CQSZACIVSA-N 0 1 398.488 3.189 20 0 GGADMN Cc1ccc2c(c1)nc(CNC(=O)NC[C@H](c1ccco1)N1CCCC1)n2C ZINC000274532135 1435077040 /nfs/dbraw/zinc/07/70/40/1435077040.db2.gz ZOJRKAJUOYEROV-GOSISDBHSA-N 0 1 381.480 3.111 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(C(OC)OC)o2)N2CCCC2)c1 ZINC000274535267 1435077115 /nfs/dbraw/zinc/07/71/15/1435077115.db2.gz UZYXRURKFLRFLR-QGZVFWFLSA-N 0 1 388.464 3.147 20 0 GGADMN COc1ccc(S[C@@H](C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000274539732 1435077488 /nfs/dbraw/zinc/07/74/88/1435077488.db2.gz DSGOTNPYQQIWKJ-AWEZNQCLSA-N 0 1 398.488 3.189 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000274547096 1435077947 /nfs/dbraw/zinc/07/79/47/1435077947.db2.gz CVEAKNWAQOVILK-UHFFFAOYSA-N 0 1 391.516 3.039 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cc(COc4ccccc4F)on3)CC2)n[nH]1 ZINC000274555037 1435078077 /nfs/dbraw/zinc/07/80/77/1435078077.db2.gz VHMTUSSNIUBXDL-UHFFFAOYSA-N 0 1 384.411 3.444 20 0 GGADMN Cc1n[nH]cc1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000274554352 1435078203 /nfs/dbraw/zinc/07/82/03/1435078203.db2.gz FAELAMFYFXVYIK-UHFFFAOYSA-N 0 1 375.904 3.083 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN[C@H](CCO)C(C)C)cs1 ZINC000274566241 1435078582 /nfs/dbraw/zinc/07/85/82/1435078582.db2.gz BEROKMJUIBGOPZ-MRXNPFEDSA-N 0 1 377.510 3.333 20 0 GGADMN CCOc1ccc(CNCc2n[nH]c(COc3ccccc3)n2)cc1OCC ZINC000274588758 1435079746 /nfs/dbraw/zinc/07/97/46/1435079746.db2.gz MVKAYFWYOIBRFW-UHFFFAOYSA-N 0 1 382.464 3.471 20 0 GGADMN COc1cc([C@@H](C)NCc2n[nH]c(COc3ccccc3)n2)cc(OC)c1OC ZINC000274600595 1435080461 /nfs/dbraw/zinc/08/04/61/1435080461.db2.gz HMUAOJRTRIDTQP-CQSZACIVSA-N 0 1 398.463 3.260 20 0 GGADMN CCSCC[C@@H](C)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274648184 1435083164 /nfs/dbraw/zinc/08/31/64/1435083164.db2.gz LONGWVUTWSOFFX-CQSZACIVSA-N 0 1 377.514 3.057 20 0 GGADMN CCSCC[C@H](C)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274648180 1435083173 /nfs/dbraw/zinc/08/31/73/1435083173.db2.gz LONGWVUTWSOFFX-AWEZNQCLSA-N 0 1 377.514 3.057 20 0 GGADMN CC1(C)OCc2cc(CNCCS(=O)(=O)Cc3ccccc3)ccc2O1 ZINC000274655228 1435083522 /nfs/dbraw/zinc/08/35/22/1435083522.db2.gz MBUJDHAEJXLVTR-UHFFFAOYSA-N 0 1 375.490 3.036 20 0 GGADMN CCc1c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cnn1-c1ccc(OC)cc1 ZINC000274673287 1435084645 /nfs/dbraw/zinc/08/46/45/1435084645.db2.gz IIHBKBTXXZDQDF-UHFFFAOYSA-N 0 1 393.491 3.495 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N(C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000274676304 1435084882 /nfs/dbraw/zinc/08/48/82/1435084882.db2.gz YWWVEOWDJFQCTR-LJQANCHMSA-N 0 1 396.491 3.231 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cnn(C)c1 ZINC000274679464 1435085081 /nfs/dbraw/zinc/08/50/81/1435085081.db2.gz QZJPPXXTBQZTIS-WBMJQRKESA-N 0 1 383.418 3.102 20 0 GGADMN O=C(CCCOCCc1ccccc1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274694768 1435085925 /nfs/dbraw/zinc/08/59/25/1435085925.db2.gz MHZWVYAUXGVAQS-UHFFFAOYSA-N 0 1 394.475 3.039 20 0 GGADMN O=C(Cn1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cn1)NC1CCCCC1 ZINC000274767443 1435090981 /nfs/dbraw/zinc/09/09/81/1435090981.db2.gz ZNLFHHGSCWYTKM-UHFFFAOYSA-N 0 1 394.834 3.082 20 0 GGADMN COc1ccc(OCc2nc(CNCCCCCS(C)(=O)=O)cs2)cc1 ZINC000274784246 1435092029 /nfs/dbraw/zinc/09/20/29/1435092029.db2.gz WNHGYCHXJXGFKP-UHFFFAOYSA-N 0 1 398.550 3.035 20 0 GGADMN C[C@H](CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1nn[nH]n1 ZINC000274796135 1435093266 /nfs/dbraw/zinc/09/32/66/1435093266.db2.gz RINQEBIMVQRQPB-SNVBAGLBSA-N 0 1 394.863 3.076 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@@]1(C)CCCO)N1CCCC1 ZINC000274824185 1435095694 /nfs/dbraw/zinc/09/56/94/1435095694.db2.gz FNOLXSZBMIDLMI-UGKGYDQZSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@]1(C)CCCO)N1CCCC1 ZINC000274824169 1435095704 /nfs/dbraw/zinc/09/57/04/1435095704.db2.gz FNOLXSZBMIDLMI-DENIHFKCSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CN(CCO)CCOCC(F)(F)F ZINC000274832807 1435096386 /nfs/dbraw/zinc/09/63/86/1435096386.db2.gz FVVYJAIMNMHKHP-UHFFFAOYSA-N 0 1 384.398 3.130 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(OC(F)F)c3cccnc23)n[nH]1 ZINC000274834763 1435096481 /nfs/dbraw/zinc/09/64/81/1435096481.db2.gz KRRYKOBARZCOPB-SECBINFHSA-N 0 1 376.367 3.399 20 0 GGADMN CCOc1cc(CNCc2ccnn2C)ccc1OCc1ccc(C(=O)OC)o1 ZINC000274834749 1435096552 /nfs/dbraw/zinc/09/65/52/1435096552.db2.gz KRIPZHPYFCXQAR-UHFFFAOYSA-N 0 1 399.447 3.067 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CNCc1ccc(N2CCOCC2)nc1 ZINC000274840446 1435096931 /nfs/dbraw/zinc/09/69/31/1435096931.db2.gz VXRSLCMUQSQJOV-UHFFFAOYSA-N 0 1 390.487 3.279 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274842704 1435097211 /nfs/dbraw/zinc/09/72/11/1435097211.db2.gz UQKZZKMZVGDCAS-OAHLLOKOSA-N 0 1 395.463 3.261 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274842694 1435097252 /nfs/dbraw/zinc/09/72/52/1435097252.db2.gz UQKZZKMZVGDCAS-HNNXBMFYSA-N 0 1 395.463 3.261 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000274853764 1435098102 /nfs/dbraw/zinc/09/81/02/1435098102.db2.gz RUXJLBLXVOIZQH-QPPBQGQZSA-N 0 1 394.515 3.446 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)n[nH]1 ZINC000274903055 1435102541 /nfs/dbraw/zinc/10/25/41/1435102541.db2.gz HQWYFABUWUDEGV-JMCQJSRRSA-N 0 1 377.317 3.309 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)n[nH]1 ZINC000274903058 1435102548 /nfs/dbraw/zinc/10/25/48/1435102548.db2.gz HQWYFABUWUDEGV-KRTXAFLBSA-N 0 1 377.317 3.309 20 0 GGADMN COc1cc(OC)c(OC)cc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274931991 1435104261 /nfs/dbraw/zinc/10/42/61/1435104261.db2.gz OMHUOLKEKKXQMX-UHFFFAOYSA-N 0 1 386.496 3.020 20 0 GGADMN CCN(C(=O)N(CC[N@@H+](CCC(=O)[O-])Cc1ccccc1)C1CC1)C(C)C ZINC000274952185 1435105544 /nfs/dbraw/zinc/10/55/44/1435105544.db2.gz ALGFZXJZRZQDGU-UHFFFAOYSA-N 0 1 375.513 3.278 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c[nH]c12 ZINC000274952057 1435105569 /nfs/dbraw/zinc/10/55/69/1435105569.db2.gz PZIKAGIHKHEMKJ-AWEZNQCLSA-N 0 1 385.464 3.236 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CCC(c2nnc3n2CCCC3)CC1)c1ccccc1 ZINC000274992550 1435108181 /nfs/dbraw/zinc/10/81/81/1435108181.db2.gz OGIDFOUQZXNXOZ-QGZVFWFLSA-N 0 1 381.524 3.235 20 0 GGADMN c1nn(Cc2ccccc2)cc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000275002506 1435108868 /nfs/dbraw/zinc/10/88/68/1435108868.db2.gz PWLBMHWPZZLCGV-UHFFFAOYSA-N 0 1 376.508 3.239 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cc(COC(C)(C)C)on1)c1ccsc1 ZINC000275009147 1435109323 /nfs/dbraw/zinc/10/93/23/1435109323.db2.gz PQWLMCVBFBYFFE-INIZCTEOSA-N 0 1 380.514 3.153 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000275012306 1435109583 /nfs/dbraw/zinc/10/95/83/1435109583.db2.gz XKRYTTGTOIVBOX-NVXWUHKLSA-N 0 1 393.528 3.282 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000275012313 1435109813 /nfs/dbraw/zinc/10/98/13/1435109813.db2.gz XKRYTTGTOIVBOX-WBVHZDCISA-N 0 1 393.528 3.282 20 0 GGADMN C[C@H](CN1CCN(C)CC1)Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000275022024 1435110528 /nfs/dbraw/zinc/11/05/28/1435110528.db2.gz INWLIWYJRUPKFC-CYBMUJFWSA-N 0 1 390.944 3.159 20 0 GGADMN CC(C)n1ncc2cc(CN3CCC(Oc4cncc(Cl)n4)CC3)cnc21 ZINC000275044841 1435112379 /nfs/dbraw/zinc/11/23/79/1435112379.db2.gz IGHKUYNMMBBJOW-UHFFFAOYSA-N 0 1 386.887 3.499 20 0 GGADMN COc1ccccc1-c1nc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC000275079995 1435114943 /nfs/dbraw/zinc/11/49/43/1435114943.db2.gz DFKMVWRGESMNBD-GFCCVEGCSA-N 0 1 399.438 3.319 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000275091962 1435115611 /nfs/dbraw/zinc/11/56/11/1435115611.db2.gz CKHZOLUMLZKJOS-AUUYWEPGSA-N 0 1 384.480 3.068 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275107813 1435116668 /nfs/dbraw/zinc/11/66/68/1435116668.db2.gz MDMRNLFZBNFKIO-ZFWWWQNUSA-N 0 1 393.409 3.167 20 0 GGADMN CCSc1cc(CNC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)ccn1 ZINC000275118709 1435117449 /nfs/dbraw/zinc/11/74/49/1435117449.db2.gz GLHFAHLIOQREKZ-UHFFFAOYSA-N 0 1 394.537 3.335 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275128210 1435117878 /nfs/dbraw/zinc/11/78/78/1435117878.db2.gz RMRZHUKDXJLZAW-CABCVRRESA-N 0 1 399.457 3.446 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000275130296 1435118020 /nfs/dbraw/zinc/11/80/20/1435118020.db2.gz RSPDIEXAEQOLAQ-GFCCVEGCSA-N 0 1 387.789 3.495 20 0 GGADMN COCCN1C(=O)CCc2cc(NC3CCN(Cc4ccccn4)CC3)ccc21 ZINC000275139445 1435118690 /nfs/dbraw/zinc/11/86/90/1435118690.db2.gz QUPADOWELGYDDD-UHFFFAOYSA-N 0 1 394.519 3.084 20 0 GGADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275158042 1435119600 /nfs/dbraw/zinc/11/96/00/1435119600.db2.gz ZXFVHJHQSAFWHK-KGLIPLIRSA-N 0 1 385.430 3.137 20 0 GGADMN CCCOc1ccc(OCCN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1 ZINC000275195602 1435121814 /nfs/dbraw/zinc/12/18/14/1435121814.db2.gz PSLPEHRFUFWGAN-INIZCTEOSA-N 0 1 386.456 3.009 20 0 GGADMN COc1ccc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c(OC)c1OC ZINC000275202957 1435122709 /nfs/dbraw/zinc/12/27/09/1435122709.db2.gz ATPIBFSYDQRASU-HNNXBMFYSA-N 0 1 399.491 3.183 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@H](C)n3cnc4ccccc43)C1)CCCC2 ZINC000275209334 1435123100 /nfs/dbraw/zinc/12/31/00/1435123100.db2.gz BMAPVERDHAXKQF-NVXWUHKLSA-N 0 1 377.492 3.455 20 0 GGADMN CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1C ZINC000275211681 1435123256 /nfs/dbraw/zinc/12/32/56/1435123256.db2.gz BRZINBALVWJGQG-MRXNPFEDSA-N 0 1 398.507 3.279 20 0 GGADMN CC(=O)N1CCc2cc(C(=O)N3CC[C@@H](n4c(C)nc5c4CCCC5)C3)ccc21 ZINC000275222110 1435123995 /nfs/dbraw/zinc/12/39/95/1435123995.db2.gz DBWIQTNBUNYCTO-LJQANCHMSA-N 0 1 392.503 3.067 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)n1 ZINC000275264802 1435127065 /nfs/dbraw/zinc/12/70/65/1435127065.db2.gz SPESAYWSQCGGGW-UHFFFAOYSA-N 0 1 394.266 3.029 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)[nH]1 ZINC000275267677 1435127279 /nfs/dbraw/zinc/12/72/79/1435127279.db2.gz PPTXQGAOWDJRLG-GFCCVEGCSA-N 0 1 396.900 3.303 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1cccc(Cl)c1C ZINC000275285626 1435128630 /nfs/dbraw/zinc/12/86/30/1435128630.db2.gz KZSQFFHDKPCAGK-LPHOPBHVSA-N 0 1 376.888 3.057 20 0 GGADMN CCc1cccc(CC)c1NC(=O)CN[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000275300489 1435129641 /nfs/dbraw/zinc/12/96/41/1435129641.db2.gz NGKXUXZGBZVNIS-AVRDEDQJSA-N 0 1 384.524 3.220 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc(C)nc(C(F)(F)F)n3)C1)CCCC2 ZINC000275311803 1435130546 /nfs/dbraw/zinc/13/05/46/1435130546.db2.gz NTLKACPMSYFDGW-ZDUSSCGKSA-N 0 1 393.413 3.275 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cnn(-c4ccccc4)c3)C1)CCCC2 ZINC000275314011 1435130827 /nfs/dbraw/zinc/13/08/27/1435130827.db2.gz NZSLECXDMFVVIN-LJQANCHMSA-N 0 1 375.476 3.343 20 0 GGADMN O=C(NOCCC(F)(F)F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000275338129 1435132340 /nfs/dbraw/zinc/13/23/40/1435132340.db2.gz GZMKIDLASGZFGL-UHFFFAOYSA-N 0 1 383.374 3.245 20 0 GGADMN COC(=O)CCCCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000275396662 1435136544 /nfs/dbraw/zinc/13/65/44/1435136544.db2.gz RETFAXHNMGQCLM-IBGZPJMESA-N 0 1 376.497 3.072 20 0 GGADMN Cc1nn(C)c2sc(C(=O)N3CC[C@@H](n4c(C)nc5c4CCCC5)C3)cc12 ZINC000275438702 1435139317 /nfs/dbraw/zinc/13/93/17/1435139317.db2.gz VFQWHYRVHOLWFZ-CQSZACIVSA-N 0 1 383.521 3.414 20 0 GGADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCCN(C(=O)C2CC2)CC1 ZINC000275449590 1435139902 /nfs/dbraw/zinc/13/99/02/1435139902.db2.gz NODPUPBBFARMME-UHFFFAOYSA-N 0 1 394.500 3.376 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@](C)(O)[C@H](C)c3ccccc3)C1)CCCC2 ZINC000275449459 1435139996 /nfs/dbraw/zinc/13/99/96/1435139996.db2.gz DYRGQRZPKLAIIE-ZDWFVDTJSA-N 0 1 381.520 3.398 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275459794 1435140689 /nfs/dbraw/zinc/14/06/89/1435140689.db2.gz HLLOYCFTQMRTPU-ZDUSSCGKSA-N 0 1 377.452 3.232 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000275468991 1435141410 /nfs/dbraw/zinc/14/14/10/1435141410.db2.gz IOSGLOVQSRTZQE-INIZCTEOSA-N 0 1 387.390 3.219 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc4c(c3)CCC(=O)N4C)C1)CCCC2 ZINC000275478328 1435142257 /nfs/dbraw/zinc/14/22/57/1435142257.db2.gz YFPYAUALKNKRHA-GOSISDBHSA-N 0 1 392.503 3.067 20 0 GGADMN CC(C)c1nnc([C@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CCO2)o1 ZINC000275540469 1435146887 /nfs/dbraw/zinc/14/68/87/1435146887.db2.gz ZNDJGGPODXSFEB-RTBURBONSA-N 0 1 398.507 3.148 20 0 GGADMN COc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000275544463 1435147002 /nfs/dbraw/zinc/14/70/02/1435147002.db2.gz ARWNFMGZWTVWIY-GFCCVEGCSA-N 0 1 389.418 3.023 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cnn(C)c2)cc1OCC ZINC000275548531 1435147374 /nfs/dbraw/zinc/14/73/74/1435147374.db2.gz UPVAMTMOPKLWHN-CYBMUJFWSA-N 0 1 383.452 3.099 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccn3)cc2)CCN1CC(C)(C)O ZINC000275557401 1435148070 /nfs/dbraw/zinc/14/80/70/1435148070.db2.gz CGYSTMMQPOYTGH-MRXNPFEDSA-N 0 1 384.480 3.183 20 0 GGADMN CSc1nnc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)s1 ZINC000275567156 1435148940 /nfs/dbraw/zinc/14/89/40/1435148940.db2.gz AMNHDKMHHONIDG-CYBMUJFWSA-N 0 1 388.522 3.491 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)CSc3nc(C)cc(C)n3)C1)CCCC2 ZINC000275592844 1435151276 /nfs/dbraw/zinc/15/12/76/1435151276.db2.gz JUAKUYUZCAITSO-INIZCTEOSA-N 0 1 385.537 3.043 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(N4CCCC4)nc3)C1)CCCC2 ZINC000275654146 1435156695 /nfs/dbraw/zinc/15/66/95/1435156695.db2.gz NMDACOFVDZGHBS-SFHVURJKSA-N 0 1 379.508 3.153 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1(C)C ZINC000275663934 1435157705 /nfs/dbraw/zinc/15/77/05/1435157705.db2.gz NFHMYLXPZGLVJH-VQIMIIECSA-N 0 1 397.972 3.364 20 0 GGADMN C[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000275663477 1435157722 /nfs/dbraw/zinc/15/77/22/1435157722.db2.gz XTZQAOJYDFEELC-OAHLLOKOSA-N 0 1 378.451 3.440 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000275692031 1435160083 /nfs/dbraw/zinc/16/00/83/1435160083.db2.gz RATIZEORUDDWRJ-LBPRGKRZSA-N 0 1 383.427 3.229 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H](C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1(C)C ZINC000275757846 1435166249 /nfs/dbraw/zinc/16/62/49/1435166249.db2.gz ZCLUDHDKNJBHKZ-GIVPXCGWSA-N 0 1 399.579 3.123 20 0 GGADMN COc1ccc2oc([C@H](C)NC(=O)c3cn[nH]c3-c3cnn(C)c3)c(C)c2c1 ZINC000275758448 1435166268 /nfs/dbraw/zinc/16/62/68/1435166268.db2.gz FBYDPXRNPSHNQI-LBPRGKRZSA-N 0 1 379.420 3.364 20 0 GGADMN Cc1ccc(CN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C(C)C)s1 ZINC000275786361 1435169144 /nfs/dbraw/zinc/16/91/44/1435169144.db2.gz GCUWSXVVAJPXCV-UHFFFAOYSA-N 0 1 383.477 3.013 20 0 GGADMN CCOc1cc(CN2CC[C@H](OCCOC)C2)ccc1OCC(F)(F)F ZINC000275809142 1435171583 /nfs/dbraw/zinc/17/15/83/1435171583.db2.gz DJJJOXOWFJLQSE-HNNXBMFYSA-N 0 1 377.403 3.264 20 0 GGADMN COc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(C(F)(F)F)c1 ZINC000275835363 1435173602 /nfs/dbraw/zinc/17/36/02/1435173602.db2.gz ZCLWNHVYLZOAFX-LBPRGKRZSA-N 0 1 389.418 3.023 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)CCCCCc2ccc(OC)cc2)CC1 ZINC000275867338 1435175815 /nfs/dbraw/zinc/17/58/15/1435175815.db2.gz ZQLZKDRALZZDES-UHFFFAOYSA-N 0 1 390.524 3.196 20 0 GGADMN CC(=O)Nc1ccc(C)c(C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC000275939602 1435181230 /nfs/dbraw/zinc/18/12/30/1435181230.db2.gz JEADYVWTCIKDGG-UHFFFAOYSA-N 0 1 381.476 3.162 20 0 GGADMN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275941075 1435181329 /nfs/dbraw/zinc/18/13/29/1435181329.db2.gz XPOKBAWAJFYSLQ-MGPUTAFESA-N 0 1 389.459 3.036 20 0 GGADMN Cc1cc(N2CCC(NC(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)n[nH]1 ZINC000275965691 1435182923 /nfs/dbraw/zinc/18/29/23/1435182923.db2.gz KTUDRYSZGNQJKB-UHFFFAOYSA-N 0 1 390.900 3.222 20 0 GGADMN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1 ZINC000276066629 1435189033 /nfs/dbraw/zinc/18/90/33/1435189033.db2.gz UILWQHNWTIZTRZ-DZGCQCFKSA-N 0 1 390.394 3.276 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)N3CCOCC3)c1)CCS2 ZINC000276074268 1435189433 /nfs/dbraw/zinc/18/94/33/1435189433.db2.gz AHLPTNMTZWECLA-FQEVSTJZSA-N 0 1 398.528 3.494 20 0 GGADMN C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276158360 1435194505 /nfs/dbraw/zinc/19/45/05/1435194505.db2.gz GFMQSISMOOBVEL-BEFAXECRSA-N 0 1 378.538 3.064 20 0 GGADMN Cc1cc(C2CC[NH+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)n[nH]1 ZINC000276185545 1435196230 /nfs/dbraw/zinc/19/62/30/1435196230.db2.gz HJBFKORIVRMOCI-FQEVSTJZSA-N 0 1 388.462 3.367 20 0 GGADMN Cc1cc(C2CCN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)n[nH]1 ZINC000276185545 1435196232 /nfs/dbraw/zinc/19/62/32/1435196232.db2.gz HJBFKORIVRMOCI-FQEVSTJZSA-N 0 1 388.462 3.367 20 0 GGADMN COc1cc(CN[C@H]2CCCN(C3CCCCC3)C2=O)cc(OC)c1OC ZINC000276224882 1435198661 /nfs/dbraw/zinc/19/86/61/1435198661.db2.gz RGYQKTGAFYMASI-KRWDZBQOSA-N 0 1 376.497 3.126 20 0 GGADMN CCC(O)(CC)CCNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000276268118 1435200975 /nfs/dbraw/zinc/20/09/75/1435200975.db2.gz GDGXFLBAGXACJP-MRXNPFEDSA-N 0 1 389.540 3.043 20 0 GGADMN CCn1cc(CCN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cn1 ZINC000276324078 1435204856 /nfs/dbraw/zinc/20/48/56/1435204856.db2.gz PJSUUAQLPDISHQ-UHFFFAOYSA-N 0 1 375.904 3.339 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000276361540 1435207014 /nfs/dbraw/zinc/20/70/14/1435207014.db2.gz RVMJHZQCZQGGMS-ZDUSSCGKSA-N 0 1 379.848 3.070 20 0 GGADMN CCS(=O)(=O)CCCCCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000276412474 1435210027 /nfs/dbraw/zinc/21/00/27/1435210027.db2.gz MKXYXIUHEQGGKQ-CQSZACIVSA-N 0 1 381.498 3.001 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000276435206 1435211197 /nfs/dbraw/zinc/21/11/97/1435211197.db2.gz XKUNQEBKRXGWAR-XOBRGWDASA-N 0 1 381.524 3.436 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)n[nH]1 ZINC000276449401 1435211956 /nfs/dbraw/zinc/21/19/56/1435211956.db2.gz JWQIHTQHBWLLJW-GFCCVEGCSA-N 0 1 397.487 3.084 20 0 GGADMN CCS(=O)(=O)CCCCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000276474671 1435213290 /nfs/dbraw/zinc/21/32/90/1435213290.db2.gz NZXLDEYPKPAAPM-FQEVSTJZSA-N 0 1 383.554 3.281 20 0 GGADMN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000276531340 1435215837 /nfs/dbraw/zinc/21/58/37/1435215837.db2.gz LHVJLGCBFVTSNN-GDBMZVCRSA-N 0 1 394.431 3.240 20 0 GGADMN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000276531357 1435216110 /nfs/dbraw/zinc/21/61/10/1435216110.db2.gz LHVJLGCBFVTSNN-ZBFHGGJFSA-N 0 1 394.431 3.240 20 0 GGADMN CCOCCOc1cc(C)ccc1CNCc1ccc(N(C)CCOC)nc1 ZINC000276576706 1435218310 /nfs/dbraw/zinc/21/83/10/1435218310.db2.gz AKDBCFWYMKGYQB-UHFFFAOYSA-N 0 1 387.524 3.178 20 0 GGADMN Cc1ccc([C@H](CNC(=O)CCOCC(F)(F)C(F)F)N2CCCC2)o1 ZINC000276589380 1435219051 /nfs/dbraw/zinc/21/90/51/1435219051.db2.gz IEWLZMVETMYQFO-ZDUSSCGKSA-N 0 1 380.382 3.148 20 0 GGADMN CCOc1cccc(CNCc2ccc(N(C)CCOC)nc2)c1OC(F)F ZINC000276619328 1435220917 /nfs/dbraw/zinc/22/09/17/1435220917.db2.gz KWMNBIRBMAKUDM-UHFFFAOYSA-N 0 1 395.450 3.454 20 0 GGADMN COc1ccc(C(=O)CCC(=O)Nc2cc3cn[nH]c3cc2C)c(OC)c1OC ZINC000276679903 1435224720 /nfs/dbraw/zinc/22/47/20/1435224720.db2.gz HZRCTNVPZXHKSM-UHFFFAOYSA-N 0 1 397.431 3.499 20 0 GGADMN CCCOc1ccc(C(=O)NCCc2nc[nH]n2)c(OCc2ccccc2)c1 ZINC000276689026 1435225338 /nfs/dbraw/zinc/22/53/38/1435225338.db2.gz VBSJBMLSNKLCMA-UHFFFAOYSA-N 0 1 380.448 3.145 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCn2cnnc2[C@H]1C)c1ccccc1Cl ZINC000276720293 1435227562 /nfs/dbraw/zinc/22/75/62/1435227562.db2.gz SKSNJGCONWAJMT-PBHICJAKSA-N 0 1 390.919 3.101 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@H]2CCN(Cc3ccc(OCC4CC4)cc3)C2)no1 ZINC000276724737 1435228122 /nfs/dbraw/zinc/22/81/22/1435228122.db2.gz FYKBPAWSHDBYMA-IBGZPJMESA-N 0 1 398.507 3.044 20 0 GGADMN COc1ccc([C@@H](C)CCNC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000276727143 1435228288 /nfs/dbraw/zinc/22/82/88/1435228288.db2.gz AXLUNTZZSWEITO-ZDUSSCGKSA-N 0 1 380.448 3.128 20 0 GGADMN COCCN(C)c1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cn1 ZINC000276729441 1435228590 /nfs/dbraw/zinc/22/85/90/1435228590.db2.gz GYIIYMMVUFNJTJ-UHFFFAOYSA-N 0 1 377.492 3.330 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC3CCN(c4ccccn4)CC3)n2)c1 ZINC000276755912 1435230185 /nfs/dbraw/zinc/23/01/85/1435230185.db2.gz LWPIFRBLXSQMKN-OAHLLOKOSA-N 0 1 379.464 3.460 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2-c2nncn2CC)n[nH]1 ZINC000276758378 1435230388 /nfs/dbraw/zinc/23/03/88/1435230388.db2.gz BMXNGIHTILOEON-STQMWFEESA-N 0 1 382.472 3.479 20 0 GGADMN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)CC1 ZINC000276762931 1435230622 /nfs/dbraw/zinc/23/06/22/1435230622.db2.gz MQXKXWDDCAAJCI-UHFFFAOYSA-N 0 1 381.436 3.051 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C)c1ccco1 ZINC000276766297 1435230702 /nfs/dbraw/zinc/23/07/02/1435230702.db2.gz AUZGNUBVVZKWCC-QRFRQXIXSA-N 0 1 388.512 3.334 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)n[nH]1 ZINC000276776060 1435231567 /nfs/dbraw/zinc/23/15/67/1435231567.db2.gz CUIXRJOEVPOJQB-RYUDHWBXSA-N 0 1 398.471 3.317 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)n[nH]1 ZINC000276777812 1435231765 /nfs/dbraw/zinc/23/17/65/1435231765.db2.gz ADQJCJYPPLPGHB-YNEHKIRRSA-N 0 1 383.456 3.490 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)C2=Cc3ccccc3OCC2)n[nH]1 ZINC000276777966 1435231795 /nfs/dbraw/zinc/23/17/95/1435231795.db2.gz CWVNRQQXBISDRP-STQMWFEESA-N 0 1 376.482 3.122 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c(C)c1 ZINC000276783606 1435232213 /nfs/dbraw/zinc/23/22/13/1435232213.db2.gz AUIVACKTHORAKB-JSGCOSHPSA-N 0 1 387.484 3.231 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c(C)c1 ZINC000276783603 1435232281 /nfs/dbraw/zinc/23/22/81/1435232281.db2.gz AUIVACKTHORAKB-GXTWGEPZSA-N 0 1 387.484 3.231 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1 ZINC000276788364 1435232589 /nfs/dbraw/zinc/23/25/89/1435232589.db2.gz DYTGEULVXDKMKW-STQMWFEESA-N 0 1 386.456 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n[nH]1 ZINC000276793182 1435232941 /nfs/dbraw/zinc/23/29/41/1435232941.db2.gz BRFCPCOIXBISLJ-NEPJUHHUSA-N 0 1 398.492 3.258 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000276793032 1435233041 /nfs/dbraw/zinc/23/30/41/1435233041.db2.gz RHFMEIXGFIGFOV-QGZVFWFLSA-N 0 1 398.467 3.152 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)n[nH]1 ZINC000276795181 1435233160 /nfs/dbraw/zinc/23/31/60/1435233160.db2.gz BZMLATURRSRKLT-AAEUAGOBSA-N 0 1 396.451 3.098 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276799444 1435233338 /nfs/dbraw/zinc/23/33/38/1435233338.db2.gz MEWBGXGNBYWLBP-INIZCTEOSA-N 0 1 380.448 3.476 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276799448 1435233417 /nfs/dbraw/zinc/23/34/17/1435233417.db2.gz MEWBGXGNBYWLBP-MRXNPFEDSA-N 0 1 380.448 3.476 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)n[nH]1 ZINC000276800945 1435233504 /nfs/dbraw/zinc/23/35/04/1435233504.db2.gz CMBLFQZLQYBGDM-MHMRNOSUSA-N 0 1 377.514 3.177 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000276799707 1435233618 /nfs/dbraw/zinc/23/36/18/1435233618.db2.gz GGYKMRCKBPEYGI-SXLOBPIMSA-N 0 1 388.487 3.100 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(CCSC)cc2)n[nH]1 ZINC000276802952 1435233838 /nfs/dbraw/zinc/23/38/38/1435233838.db2.gz CUIZGZMPAWGQFV-QWHCGFSZSA-N 0 1 389.525 3.040 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)n[nH]1 ZINC000276804723 1435233966 /nfs/dbraw/zinc/23/39/66/1435233966.db2.gz DAIHTDCONYWNPZ-GHMZBOCLSA-N 0 1 396.451 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)n[nH]1 ZINC000276808726 1435234094 /nfs/dbraw/zinc/23/40/94/1435234094.db2.gz DLMNFWMGZMYMGI-MWLCHTKSSA-N 0 1 393.875 3.105 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000276808690 1435234157 /nfs/dbraw/zinc/23/41/57/1435234157.db2.gz DLELTSFCIOJMJV-ZIAGYGMSSA-N 0 1 387.484 3.313 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)n[nH]1 ZINC000276808728 1435234175 /nfs/dbraw/zinc/23/41/75/1435234175.db2.gz DLMNFWMGZMYMGI-ONGXEEELSA-N 0 1 393.875 3.105 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)n[nH]1 ZINC000276821426 1435235196 /nfs/dbraw/zinc/23/51/96/1435235196.db2.gz FOOUUURZXHMFGR-UWVGGRQHSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)n[nH]1 ZINC000276824175 1435235389 /nfs/dbraw/zinc/23/53/89/1435235389.db2.gz FTTGEMHMXPTXTL-SMDDNHRTSA-N 0 1 394.479 3.299 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OCC(C)C)n[nH]1 ZINC000276826407 1435235583 /nfs/dbraw/zinc/23/55/83/1435235583.db2.gz FYBHUJWYBHVFOU-KGLIPLIRSA-N 0 1 387.484 3.169 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)n[nH]1 ZINC000276830765 1435235792 /nfs/dbraw/zinc/23/57/92/1435235792.db2.gz GOZKBXSVVUTAIO-QWHCGFSZSA-N 0 1 387.484 3.311 20 0 GGADMN O=C1CCCN1[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000276829065 1435235813 /nfs/dbraw/zinc/23/58/13/1435235813.db2.gz QQHPUHZTLDRNLT-NRFANRHFSA-N 0 1 387.487 3.131 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)n[nH]1 ZINC000276835258 1435236303 /nfs/dbraw/zinc/23/63/03/1435236303.db2.gz AEMQEXFWIMURET-UONOGXRCSA-N 0 1 392.463 3.457 20 0 GGADMN CCOc1cc(CNC(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)ccc1OC ZINC000276836981 1435236425 /nfs/dbraw/zinc/23/64/25/1435236425.db2.gz HCNNUEQFSCVVDI-STQMWFEESA-N 0 1 375.473 3.286 20 0 GGADMN CCOc1cc(CNC(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)ccc1OC ZINC000276836976 1435236454 /nfs/dbraw/zinc/23/64/54/1435236454.db2.gz HCNNUEQFSCVVDI-CHWSQXEVSA-N 0 1 375.473 3.286 20 0 GGADMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000276840460 1435236680 /nfs/dbraw/zinc/23/66/80/1435236680.db2.gz YBTQAFNHIFCAID-LLVKDONJSA-N 0 1 378.436 3.386 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C=Cc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276838556 1435236731 /nfs/dbraw/zinc/23/67/31/1435236731.db2.gz CEFDAHXATFVWSO-TYDXBBDOSA-N 0 1 388.468 3.235 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)n[nH]1 ZINC000276845587 1435237130 /nfs/dbraw/zinc/23/71/30/1435237130.db2.gz IILBARLYJXHOBO-YQQAZPJKSA-N 0 1 387.528 3.481 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000276851230 1435237550 /nfs/dbraw/zinc/23/75/50/1435237550.db2.gz IZAXNEHCRCJXCQ-VHSXEESVSA-N 0 1 383.374 3.153 20 0 GGADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CC[C@H](N2CCCC2=O)C1 ZINC000276851393 1435237646 /nfs/dbraw/zinc/23/76/46/1435237646.db2.gz YOHISIGUBSEPRQ-ZDUSSCGKSA-N 0 1 380.473 3.128 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000276851226 1435237655 /nfs/dbraw/zinc/23/76/55/1435237655.db2.gz IZAXNEHCRCJXCQ-UWVGGRQHSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1 ZINC000276857484 1435238020 /nfs/dbraw/zinc/23/80/20/1435238020.db2.gz JVJUBEGIODKGJS-NWDGAFQWSA-N 0 1 391.447 3.060 20 0 GGADMN CCNC(=O)C1(CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CCC1 ZINC000276865570 1435238406 /nfs/dbraw/zinc/23/84/06/1435238406.db2.gz KZSVNHFHNRPTOH-QGZVFWFLSA-N 0 1 383.496 3.024 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3n[nH]c([C@H](C)CC)n3)cc21 ZINC000276869177 1435238917 /nfs/dbraw/zinc/23/89/17/1435238917.db2.gz LHIWZEPXBOQKNB-ZIAGYGMSSA-N 0 1 396.495 3.499 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c([C@H](C)CC)n3)cc21 ZINC000276869169 1435238931 /nfs/dbraw/zinc/23/89/31/1435238931.db2.gz LHIWZEPXBOQKNB-KGLIPLIRSA-N 0 1 396.495 3.499 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276871273 1435238977 /nfs/dbraw/zinc/23/89/77/1435238977.db2.gz HHRNMJSYKVPYMQ-RYYBZQDPSA-N 0 1 388.468 3.235 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCc2ccc(NC(=O)OC)cc2)n[nH]1 ZINC000276869237 1435238985 /nfs/dbraw/zinc/23/89/85/1435238985.db2.gz LIUXWCYAFTYVLK-OLZOCXBDSA-N 0 1 388.472 3.099 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cn(C)nc2-c2ccccc2)n[nH]1 ZINC000276875222 1435239384 /nfs/dbraw/zinc/23/93/84/1435239384.db2.gz LVGAAKZFTKLEDV-ZIAGYGMSSA-N 0 1 381.484 3.279 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(O[C@@H](C)CC)c2)n[nH]1 ZINC000276877668 1435239572 /nfs/dbraw/zinc/23/95/72/1435239572.db2.gz MFBRLJPCOHAKGO-HZSPNIEDSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccccc2OCc2noc(C)n2)n[nH]1 ZINC000276878876 1435239692 /nfs/dbraw/zinc/23/96/92/1435239692.db2.gz IFMQJJQJFXHRTJ-RYUDHWBXSA-N 0 1 384.440 3.080 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(F)(F)F)n[nH]1 ZINC000276885773 1435240181 /nfs/dbraw/zinc/24/01/81/1435240181.db2.gz MUUYNWAMVHPLTC-ZJUUUORDSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)n[nH]1 ZINC000276899293 1435241233 /nfs/dbraw/zinc/24/12/33/1435241233.db2.gz OSIKNYZNQLREIB-QDEZUTFSSA-N 0 1 389.500 3.463 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2sc(C)nc2CC(C)C)n[nH]1 ZINC000276898023 1435241293 /nfs/dbraw/zinc/24/12/93/1435241293.db2.gz OOLSJHSMWOEZPL-WDEREUQCSA-N 0 1 392.529 3.098 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)n[nH]1 ZINC000276902736 1435241687 /nfs/dbraw/zinc/24/16/87/1435241687.db2.gz PARFPFKUUIMMAQ-QWHCGFSZSA-N 0 1 397.483 3.065 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000276905886 1435241885 /nfs/dbraw/zinc/24/18/85/1435241885.db2.gz PLYGSKMDNVUIPJ-VXGBXAGGSA-N 0 1 375.498 3.246 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000276905876 1435241901 /nfs/dbraw/zinc/24/19/01/1435241901.db2.gz PLYGSKMDNVUIPJ-NWDGAFQWSA-N 0 1 375.498 3.246 20 0 GGADMN CC[C@@H](NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)c1nnc2n1CCCCC2 ZINC000276908949 1435242059 /nfs/dbraw/zinc/24/20/59/1435242059.db2.gz PXDQHNHWUPMODK-BFHYXJOUSA-N 0 1 388.520 3.148 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000276909605 1435242113 /nfs/dbraw/zinc/24/21/13/1435242113.db2.gz FLNSYGNPQRSWFE-HNNXBMFYSA-N 0 1 398.850 3.493 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)n[nH]1 ZINC000276920706 1435243106 /nfs/dbraw/zinc/24/31/06/1435243106.db2.gz RPBZDUVNOZQVBN-KOLCDFICSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)n[nH]1 ZINC000276924030 1435243470 /nfs/dbraw/zinc/24/34/70/1435243470.db2.gz SAWPXKUEMDJJCB-CHWSQXEVSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccccc2)n[nH]1 ZINC000276926996 1435243787 /nfs/dbraw/zinc/24/37/87/1435243787.db2.gz SJBGBBRHHLXXSV-KBPBESRZSA-N 0 1 392.463 3.196 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000276929001 1435243879 /nfs/dbraw/zinc/24/38/79/1435243879.db2.gz IKSOALQWSTXPMR-MAUKXSAKSA-N 0 1 398.850 3.110 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)n[nH]1 ZINC000276928499 1435243917 /nfs/dbraw/zinc/24/39/17/1435243917.db2.gz MCGJTSWPWASGFD-QWHCGFSZSA-N 0 1 390.463 3.177 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)n[nH]1 ZINC000276928674 1435243937 /nfs/dbraw/zinc/24/39/37/1435243937.db2.gz STGQFMKTGXTTLD-KBPBESRZSA-N 0 1 387.484 3.059 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)n[nH]1 ZINC000276928698 1435243962 /nfs/dbraw/zinc/24/39/62/1435243962.db2.gz STLPCEDPPSVGDH-ONGXEEELSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)n[nH]1 ZINC000276928688 1435244000 /nfs/dbraw/zinc/24/40/00/1435244000.db2.gz STJBGHVXKQHXTC-PGUXBMHVSA-N 0 1 381.427 3.344 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000276929009 1435244033 /nfs/dbraw/zinc/24/40/33/1435244033.db2.gz IKSOALQWSTXPMR-QAPCUYQASA-N 0 1 398.850 3.110 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)n[nH]1 ZINC000276930098 1435244141 /nfs/dbraw/zinc/24/41/41/1435244141.db2.gz SWLGASOVKNQOSU-ZJUUUORDSA-N 0 1 397.451 3.449 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000276930759 1435244288 /nfs/dbraw/zinc/24/42/88/1435244288.db2.gz IRKZVFMVBCHBRJ-KXBFYZLASA-N 0 1 392.459 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)n[nH]1 ZINC000276933618 1435244444 /nfs/dbraw/zinc/24/44/44/1435244444.db2.gz UBYBXXVFVUHHQQ-QWRGUYRKSA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)n[nH]1 ZINC000276933371 1435244486 /nfs/dbraw/zinc/24/44/86/1435244486.db2.gz MSTQWLJZTVRTLE-ZJUUUORDSA-N 0 1 378.864 3.214 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c([C@@H](C)CC)n3)ccc21 ZINC000276937406 1435244940 /nfs/dbraw/zinc/24/49/40/1435244940.db2.gz UJFDJBKRKCOURZ-KBPBESRZSA-N 0 1 396.495 3.499 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2C)n[nH]1 ZINC000276937192 1435245029 /nfs/dbraw/zinc/24/50/29/1435245029.db2.gz MZTQTTVHLYFEGD-WCQYABFASA-N 0 1 386.456 3.466 20 0 GGADMN Cc1cc2c(cc1C)[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)CCS2 ZINC000276942177 1435245376 /nfs/dbraw/zinc/24/53/76/1435245376.db2.gz UIOGAWKGWBGUPJ-LJQANCHMSA-N 0 1 391.558 3.396 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCCC(=O)N2CCc3ccccc32)n[nH]1 ZINC000276943989 1435245583 /nfs/dbraw/zinc/24/55/83/1435245583.db2.gz VCDKWPIHULIBIG-CABCVRRESA-N 0 1 398.511 3.048 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCCC(=O)N2CCc3ccccc32)n[nH]1 ZINC000276943994 1435245657 /nfs/dbraw/zinc/24/56/57/1435245657.db2.gz VCDKWPIHULIBIG-GJZGRUSLSA-N 0 1 398.511 3.048 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)n[nH]1 ZINC000276947357 1435245905 /nfs/dbraw/zinc/24/59/05/1435245905.db2.gz NXBUFQZDDIGSPH-YPMHNXCESA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(SC)c2C)n[nH]1 ZINC000276947574 1435245965 /nfs/dbraw/zinc/24/59/65/1435245965.db2.gz VJXOUGHKTRNDJT-JQWIXIFHSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(SC)c2C)n[nH]1 ZINC000276947580 1435245996 /nfs/dbraw/zinc/24/59/96/1435245996.db2.gz VJXOUGHKTRNDJT-ZYHUDNBSSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccn(-c3ccccc3)n2)n[nH]1 ZINC000276947735 1435246055 /nfs/dbraw/zinc/24/60/55/1435246055.db2.gz VMLPXBFJSXXUOB-HUUCEWRRSA-N 0 1 381.484 3.107 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCc2ccn(-c3ccccc3)n2)n[nH]1 ZINC000276947724 1435246065 /nfs/dbraw/zinc/24/60/65/1435246065.db2.gz VMLPXBFJSXXUOB-CABCVRRESA-N 0 1 381.484 3.107 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)n[nH]1 ZINC000276955730 1435246624 /nfs/dbraw/zinc/24/66/24/1435246624.db2.gz WNKHLXYCJDIZID-MNOVXSKESA-N 0 1 396.451 3.153 20 0 GGADMN O=C(c1cccc(CNCc2ccc(OCC3CC3)cc2)c1)N1CCOCC1 ZINC000276955850 1435246736 /nfs/dbraw/zinc/24/67/36/1435246736.db2.gz KTHXLQASCSXDJN-UHFFFAOYSA-N 0 1 380.488 3.238 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(CN(C)C(=O)OC)cc2)n[nH]1 ZINC000276960834 1435247283 /nfs/dbraw/zinc/24/72/83/1435247283.db2.gz PFCGTRIBMHVUKR-STQMWFEESA-N 0 1 388.472 3.399 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(CN(C)C(=O)OC)cc2)n[nH]1 ZINC000276960821 1435247371 /nfs/dbraw/zinc/24/73/71/1435247371.db2.gz PFCGTRIBMHVUKR-CHWSQXEVSA-N 0 1 388.472 3.399 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)n[nH]1 ZINC000276962929 1435247460 /nfs/dbraw/zinc/24/74/60/1435247460.db2.gz PMELFRXHBMBKJA-NWDGAFQWSA-N 0 1 389.481 3.321 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)n[nH]1 ZINC000276962933 1435247506 /nfs/dbraw/zinc/24/75/06/1435247506.db2.gz PMELFRXHBMBKJA-RYUDHWBXSA-N 0 1 389.481 3.321 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)n[nH]1 ZINC000276962936 1435247550 /nfs/dbraw/zinc/24/75/50/1435247550.db2.gz PMELFRXHBMBKJA-VXGBXAGGSA-N 0 1 389.481 3.321 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)n[nH]1 ZINC000276965560 1435247733 /nfs/dbraw/zinc/24/77/33/1435247733.db2.gz XOFKFSKYRVXMRQ-QWRGUYRKSA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000276972869 1435248545 /nfs/dbraw/zinc/24/85/45/1435248545.db2.gz YHJKQGDQBDGXSM-HUUCEWRRSA-N 0 1 398.511 3.124 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000276975475 1435248783 /nfs/dbraw/zinc/24/87/83/1435248783.db2.gz QRVKGZVGUAFBLT-ZVZYQTTQSA-N 0 1 376.526 3.022 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1Cl ZINC000276981844 1435249524 /nfs/dbraw/zinc/24/95/24/1435249524.db2.gz ZLULCBHAFDFXPK-QWRGUYRKSA-N 0 1 393.875 3.186 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)n[nH]1 ZINC000276985156 1435249723 /nfs/dbraw/zinc/24/97/23/1435249723.db2.gz ZWPIDWFMYRUCHN-VHSXEESVSA-N 0 1 386.481 3.052 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)n[nH]1 ZINC000276990487 1435250266 /nfs/dbraw/zinc/25/02/66/1435250266.db2.gz SJQYFOPGTFEJBW-AAEUAGOBSA-N 0 1 398.467 3.163 20 0 GGADMN Cn1cc(C(=O)Nc2ccccc2CN2CCSCC2)c2ccccc2c1=O ZINC000276991606 1435250312 /nfs/dbraw/zinc/25/03/12/1435250312.db2.gz GTLZWQVMZCNQCE-UHFFFAOYSA-N 0 1 393.512 3.340 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000276990803 1435250320 /nfs/dbraw/zinc/25/03/20/1435250320.db2.gz NASRYSPXTKCABV-KRWDZBQOSA-N 0 1 394.431 3.006 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)n[nH]1 ZINC000277004132 1435251291 /nfs/dbraw/zinc/25/12/91/1435251291.db2.gz ITYOMGKGYGYONK-LLVKDONJSA-N 0 1 390.513 3.248 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000277004811 1435251361 /nfs/dbraw/zinc/25/13/61/1435251361.db2.gz OWAKHPONXVSQQK-OAHLLOKOSA-N 0 1 391.475 3.287 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)OC)c(F)cc2F)n[nH]1 ZINC000277006194 1435251527 /nfs/dbraw/zinc/25/15/27/1435251527.db2.gz VAIYJDXLWPSUPP-DTWKUNHWSA-N 0 1 381.383 3.266 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)n[nH]1 ZINC000277019581 1435252585 /nfs/dbraw/zinc/25/25/85/1435252585.db2.gz WOOUFLNPDUCDEJ-DGCLKSJQSA-N 0 1 384.484 3.402 20 0 GGADMN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1cc2ccccc2[nH]c1=O ZINC000277028783 1435253682 /nfs/dbraw/zinc/25/36/82/1435253682.db2.gz NVTMFZOJPYZQLS-GOSISDBHSA-N 0 1 393.512 3.288 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OCCC(=O)OC)cc2)n[nH]1 ZINC000277036998 1435254665 /nfs/dbraw/zinc/25/46/65/1435254665.db2.gz YIVLTPAKOCUAGU-QWHCGFSZSA-N 0 1 389.456 3.143 20 0 GGADMN Cc1noc(C[C@@H](NC(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2)n1 ZINC000277042761 1435255424 /nfs/dbraw/zinc/25/54/24/1435255424.db2.gz PJJQWSNLINVYIA-SJORKVTESA-N 0 1 399.520 3.325 20 0 GGADMN COc1cc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc(OC)c1OC ZINC000277043632 1435255567 /nfs/dbraw/zinc/25/55/67/1435255567.db2.gz PIXOLDTUXTVBII-UHFFFAOYSA-N 0 1 399.896 3.059 20 0 GGADMN CCCn1ccnc1CCCN(C)CCCS(=O)(=O)c1ccccc1OC ZINC000277056026 1435257180 /nfs/dbraw/zinc/25/71/80/1435257180.db2.gz IZLDEBWTKPMFNF-UHFFFAOYSA-N 0 1 393.553 3.030 20 0 GGADMN Cc1sc(CCNC(=O)C(C)(C)NC(=O)C(F)(F)F)nc1-c1ccccc1 ZINC000277056512 1435257301 /nfs/dbraw/zinc/25/73/01/1435257301.db2.gz GPKXIKZEDKCZMN-UHFFFAOYSA-N 0 1 399.438 3.234 20 0 GGADMN Cc1noc(C[C@H](NC(=O)NC[C@H](c2ccsc2)N(C)C)c2ccccc2)n1 ZINC000277057492 1435257334 /nfs/dbraw/zinc/25/73/34/1435257334.db2.gz RCHKEPQQHKYPGI-ZWKOTPCHSA-N 0 1 399.520 3.325 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)n[nH]1 ZINC000277060707 1435257872 /nfs/dbraw/zinc/25/78/72/1435257872.db2.gz DEOZQYSWFWNFTG-SOUVJXGZSA-N 0 1 391.541 3.270 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)n[nH]1 ZINC000277065904 1435258328 /nfs/dbraw/zinc/25/83/28/1435258328.db2.gz DKCSXYDLTMYPOD-XEZPLFJOSA-N 0 1 397.483 3.354 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3cc(C4CC4)[nH]n3)c2C1 ZINC000277066181 1435258409 /nfs/dbraw/zinc/25/84/09/1435258409.db2.gz QTUXPEZKVRTOMP-ZDUSSCGKSA-N 0 1 381.480 3.224 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000277076340 1435259487 /nfs/dbraw/zinc/25/94/87/1435259487.db2.gz BYIGXNYMFGAYMD-LSDHHAIUSA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000277076331 1435259570 /nfs/dbraw/zinc/25/95/70/1435259570.db2.gz BYIGXNYMFGAYMD-CABCVRRESA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@H](C)c1nnc([C@@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)[nH]1 ZINC000277079722 1435259791 /nfs/dbraw/zinc/25/97/91/1435259791.db2.gz RYCAIIOWUKADJW-GOEBONIOSA-N 0 1 399.543 3.261 20 0 GGADMN CC[C@@H](C)c1nnc([C@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)[nH]1 ZINC000277079741 1435260055 /nfs/dbraw/zinc/26/00/55/1435260055.db2.gz RYCAIIOWUKADJW-ZBFHGGJFSA-N 0 1 399.543 3.261 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277085109 1435260538 /nfs/dbraw/zinc/26/05/38/1435260538.db2.gz FMMWQFWRJLZOLP-DNVCBOLYSA-N 0 1 394.475 3.137 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277085113 1435260573 /nfs/dbraw/zinc/26/05/73/1435260573.db2.gz FMMWQFWRJLZOLP-HNAYVOBHSA-N 0 1 394.475 3.137 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n[nH]1 ZINC000277126373 1435265390 /nfs/dbraw/zinc/26/53/90/1435265390.db2.gz UAKWZELFTOWJRQ-QBYUYEEZSA-N 0 1 383.496 3.105 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)n1 ZINC000277136025 1435266839 /nfs/dbraw/zinc/26/68/39/1435266839.db2.gz ISZKGGSZSNVONQ-FQEVSTJZSA-N 0 1 376.460 3.379 20 0 GGADMN CCCCCOc1cc(CN[C@H](C[NH+]2CCCCC2)C(=O)[O-])ccc1OC ZINC000277145571 1435268279 /nfs/dbraw/zinc/26/82/79/1435268279.db2.gz CHVNAZCQDPMRDJ-GOSISDBHSA-N 0 1 378.513 3.293 20 0 GGADMN COCCN(Cc1cccnc1)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000277151273 1435269439 /nfs/dbraw/zinc/26/94/39/1435269439.db2.gz VUFOEJCGSLEAAL-UZLBHIALSA-N 0 1 378.900 3.322 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2)n1 ZINC000277165686 1435271967 /nfs/dbraw/zinc/27/19/67/1435271967.db2.gz BNNHKUVYLDTTAW-LRDDRELGSA-N 0 1 385.855 3.327 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277166626 1435272096 /nfs/dbraw/zinc/27/20/96/1435272096.db2.gz KLXJDJRPQZPOAM-KRWDZBQOSA-N 0 1 380.448 3.207 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)n[nH]1 ZINC000277170845 1435272768 /nfs/dbraw/zinc/27/27/68/1435272768.db2.gz HWFHMYXQEHHBTM-KBPBESRZSA-N 0 1 397.483 3.454 20 0 GGADMN COc1ccc(CC[C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1O ZINC000277180780 1435274613 /nfs/dbraw/zinc/27/46/13/1435274613.db2.gz HSCNTYJXPUXLCC-UZLBHIALSA-N 0 1 397.519 3.284 20 0 GGADMN Cc1c([C@H](C)NC2CCN(c3cccnn3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000277184307 1435275259 /nfs/dbraw/zinc/27/52/59/1435275259.db2.gz UDUPNGNJQXYUHK-AWEZNQCLSA-N 0 1 397.914 3.339 20 0 GGADMN C[C@H]1C(=O)N(Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)N1C1CCC1 ZINC000277194584 1435276812 /nfs/dbraw/zinc/27/68/12/1435276812.db2.gz CWVXCLIRTVMPPI-BBWFWOEESA-N 0 1 385.508 3.001 20 0 GGADMN O=C1N[C@H](CC(F)(F)F)C(=O)N1C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000277204992 1435278096 /nfs/dbraw/zinc/27/80/96/1435278096.db2.gz FAMJUINLAZYSGO-ZIAGYGMSSA-N 0 1 389.805 3.350 20 0 GGADMN CCc1c(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cnn1CCC(C)C ZINC000277215267 1435279600 /nfs/dbraw/zinc/27/96/00/1435279600.db2.gz WALRHCTYQIRMQL-UHFFFAOYSA-N 0 1 399.520 3.280 20 0 GGADMN Cc1noc(C[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)c2ccccc2)n1 ZINC000277224035 1435280808 /nfs/dbraw/zinc/28/08/08/1435280808.db2.gz GGEBVBASDIQZMK-MSOLQXFVSA-N 0 1 380.423 3.196 20 0 GGADMN COC1(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)CCC1 ZINC000277231166 1435282241 /nfs/dbraw/zinc/28/22/41/1435282241.db2.gz JDEMTBJGERUHKM-UHFFFAOYSA-N 0 1 385.430 3.355 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)N(Cc2ccccc2)C2CC2)c2ccccc2)n1 ZINC000277247185 1435284353 /nfs/dbraw/zinc/28/43/53/1435284353.db2.gz PYILUMWSLVNGGR-NRFANRHFSA-N 0 1 390.487 3.443 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)N(Cc2ccccc2)C2CC2)c2ccccc2)n1 ZINC000277247188 1435284410 /nfs/dbraw/zinc/28/44/10/1435284410.db2.gz PYILUMWSLVNGGR-OAQYLSRUSA-N 0 1 390.487 3.443 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000277246595 1435284556 /nfs/dbraw/zinc/28/45/56/1435284556.db2.gz LCKONNUUNQVGKG-UHFFFAOYSA-N 0 1 379.342 3.068 20 0 GGADMN O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000277251659 1435284842 /nfs/dbraw/zinc/28/48/42/1435284842.db2.gz QCORXIHSLUPTAN-ZWWNWMABSA-N 0 1 378.476 3.129 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000277271638 1435287587 /nfs/dbraw/zinc/28/75/87/1435287587.db2.gz UAFMGGKKKIXPLW-MGPUTAFESA-N 0 1 395.478 3.125 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277276665 1435288295 /nfs/dbraw/zinc/28/82/95/1435288295.db2.gz RZNUMXAHCUEYIZ-HXUWFJFHSA-N 0 1 396.466 3.439 20 0 GGADMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)[nH]1 ZINC000277279145 1435288661 /nfs/dbraw/zinc/28/86/61/1435288661.db2.gz QKBLMMSCDWQPTN-MELADBBJSA-N 0 1 389.500 3.403 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277287063 1435289675 /nfs/dbraw/zinc/28/96/75/1435289675.db2.gz IWKRLGFUEHVVGF-BEFAXECRSA-N 0 1 386.565 3.254 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 ZINC000277289357 1435289797 /nfs/dbraw/zinc/28/97/97/1435289797.db2.gz STUWRKQWGQLNIC-ZNMIVQPWSA-N 0 1 388.491 3.344 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 ZINC000277289350 1435289832 /nfs/dbraw/zinc/28/98/32/1435289832.db2.gz STUWRKQWGQLNIC-SOUVJXGZSA-N 0 1 388.491 3.344 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2)n1 ZINC000277296975 1435290737 /nfs/dbraw/zinc/29/07/37/1435290737.db2.gz KVYSKPYRNMVUGD-YWZLYKJASA-N 0 1 396.466 3.138 20 0 GGADMN C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1(C)C ZINC000277314647 1435293284 /nfs/dbraw/zinc/29/32/84/1435293284.db2.gz KUBFAABPJGNDRF-YZGWKJHDSA-N 0 1 386.536 3.035 20 0 GGADMN CC(=O)Nc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1F ZINC000277325115 1435294224 /nfs/dbraw/zinc/29/42/24/1435294224.db2.gz DLXLOYRKNUJAPR-AWEZNQCLSA-N 0 1 384.455 3.135 20 0 GGADMN CCOc1ccc(CNC(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1OC ZINC000277344329 1435296378 /nfs/dbraw/zinc/29/63/78/1435296378.db2.gz XLWJCQFYBCCKQI-OLZOCXBDSA-N 0 1 375.473 3.286 20 0 GGADMN CCOc1ccc(CNC(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1OC ZINC000277344322 1435296547 /nfs/dbraw/zinc/29/65/47/1435296547.db2.gz XLWJCQFYBCCKQI-CHWSQXEVSA-N 0 1 375.473 3.286 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)NCc2ccc(C)c(F)c2)c2ccccc2)n1 ZINC000277381221 1435300353 /nfs/dbraw/zinc/30/03/53/1435300353.db2.gz YERAJJRIPUYOMD-LJQANCHMSA-N 0 1 382.439 3.015 20 0 GGADMN COc1ccccc1[C@H](CN1C(=O)N[C@@H](CC(F)(F)F)C1=O)N1CCCCC1 ZINC000277392051 1435301198 /nfs/dbraw/zinc/30/11/98/1435301198.db2.gz POKVLGKTVQEJNY-GJZGRUSLSA-N 0 1 399.413 3.095 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCO[C@@H]3c3ccnn3C(C)C)n2)cc1 ZINC000277409421 1435302634 /nfs/dbraw/zinc/30/26/34/1435302634.db2.gz LLSHAXHRLKUMSE-RDJZCZTQSA-N 0 1 380.452 3.274 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000277416914 1435303331 /nfs/dbraw/zinc/30/33/31/1435303331.db2.gz FCOCVFPVEVOMSW-UHFFFAOYSA-N 0 1 390.461 3.378 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)n1 ZINC000277420953 1435303462 /nfs/dbraw/zinc/30/34/62/1435303462.db2.gz PJKYUQBYAAHENY-BLLLJJGKSA-N 0 1 385.855 3.327 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)n1 ZINC000277420977 1435303597 /nfs/dbraw/zinc/30/35/97/1435303597.db2.gz PJKYUQBYAAHENY-WBMJQRKESA-N 0 1 385.855 3.327 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CNC(=O)Cc2cccc3ccccc32)n[nH]1 ZINC000277420380 1435303607 /nfs/dbraw/zinc/30/36/07/1435303607.db2.gz BAHSWQKOMVSCCY-GJZGRUSLSA-N 0 1 393.491 3.008 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@@H](Cc2nc(C)no2)c2ccccc2)C1=O ZINC000277428069 1435303940 /nfs/dbraw/zinc/30/39/40/1435303940.db2.gz PUFDFAKDUDEXIV-MSOLQXFVSA-N 0 1 392.459 3.066 20 0 GGADMN C[C@@H]1CCN2C(=O)N(C3CCN(Cc4ccc(Cl)cc4)CC3)C(=O)[C@H]2C1 ZINC000277429130 1435304153 /nfs/dbraw/zinc/30/41/53/1435304153.db2.gz PMICSWXQJMZIRZ-RDTXWAMCSA-N 0 1 375.900 3.367 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277445349 1435305237 /nfs/dbraw/zinc/30/52/37/1435305237.db2.gz QYGNDPDNQPRCRS-LIRRHRJNSA-N 0 1 380.448 3.287 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(NC(C)=O)c(F)c1)N1CCCC1 ZINC000277446320 1435305246 /nfs/dbraw/zinc/30/52/46/1435305246.db2.gz NSFCUZARLYCQEA-FQEVSTJZSA-N 0 1 399.466 3.360 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(C)=O)c(F)c1)N1CCCC1 ZINC000277446323 1435305288 /nfs/dbraw/zinc/30/52/88/1435305288.db2.gz NSFCUZARLYCQEA-HXUWFJFHSA-N 0 1 399.466 3.360 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277445346 1435305369 /nfs/dbraw/zinc/30/53/69/1435305369.db2.gz QYGNDPDNQPRCRS-KUHUBIRLSA-N 0 1 380.448 3.287 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277449162 1435305529 /nfs/dbraw/zinc/30/55/29/1435305529.db2.gz RCJNAWRFHKKJJB-VLIAUNLRSA-N 0 1 392.459 3.481 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277449157 1435305591 /nfs/dbraw/zinc/30/55/91/1435305591.db2.gz RCJNAWRFHKKJJB-JLTOFOAXSA-N 0 1 392.459 3.481 20 0 GGADMN COc1cc(NS(=O)(=O)c2c(C)cc(C)cc2OC)cc(OC)c1OC ZINC000277452694 1435305643 /nfs/dbraw/zinc/30/56/43/1435305643.db2.gz HZYGUZVZBAXVPK-UHFFFAOYSA-N 0 1 381.450 3.139 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)NCCc2ccccc2C)c2ccccc2)n1 ZINC000277459892 1435306115 /nfs/dbraw/zinc/30/61/15/1435306115.db2.gz RVTQGMVCHVVGJQ-DYESRHJHSA-N 0 1 392.503 3.307 20 0 GGADMN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277465200 1435306648 /nfs/dbraw/zinc/30/66/48/1435306648.db2.gz AGUBBDVRRBEMPL-UHFFFAOYSA-N 0 1 394.397 3.282 20 0 GGADMN COc1ccc(C[NH2+][C@H](CC(=O)[O-])c2cccc(OC)c2OC)c(OC)c1 ZINC000277478425 1435307250 /nfs/dbraw/zinc/30/72/50/1435307250.db2.gz WMAUSVABLGMNLR-MRXNPFEDSA-N 0 1 375.421 3.027 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(F)cc2S(=O)(=O)CC)n[nH]1 ZINC000277484322 1435307665 /nfs/dbraw/zinc/30/76/65/1435307665.db2.gz SRAFMMSUQTUYOK-GHMZBOCLSA-N 0 1 397.476 3.134 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(F)cc2S(=O)(=O)CC)n[nH]1 ZINC000277484334 1435307683 /nfs/dbraw/zinc/30/76/83/1435307683.db2.gz SRAFMMSUQTUYOK-MNOVXSKESA-N 0 1 397.476 3.134 20 0 GGADMN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cccc3c2OCCCO3)c1OC ZINC000277507331 1435309034 /nfs/dbraw/zinc/30/90/34/1435309034.db2.gz XZENDHPOMABACA-MRXNPFEDSA-N 0 1 387.432 3.171 20 0 GGADMN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000277515858 1435309709 /nfs/dbraw/zinc/30/97/09/1435309709.db2.gz NOWOPDMZKBYWCB-MRXNPFEDSA-N 0 1 398.532 3.245 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CN3C(=O)CN(C4CCCC4)C3=O)cc2)C[C@H](C)O1 ZINC000277519319 1435309878 /nfs/dbraw/zinc/30/98/78/1435309878.db2.gz VALNNRXQSOFGLD-CALCHBBNSA-N 0 1 385.508 3.003 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277523087 1435310110 /nfs/dbraw/zinc/31/01/10/1435310110.db2.gz XBPBMSJIBSIZTA-XOBRGWDASA-N 0 1 392.459 3.481 20 0 GGADMN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277532657 1435310996 /nfs/dbraw/zinc/31/09/96/1435310996.db2.gz ADJUFUUVULWLOY-XJKSGUPXSA-N 0 1 379.382 3.449 20 0 GGADMN COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2ncc(C)s2)CC1 ZINC000277538357 1435311285 /nfs/dbraw/zinc/31/12/85/1435311285.db2.gz RWLFIQRNWBWVLD-MRXNPFEDSA-N 0 1 392.521 3.088 20 0 GGADMN COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2OC)cc1NC(C)=O ZINC000277554446 1435312554 /nfs/dbraw/zinc/31/25/54/1435312554.db2.gz QXMFRRVOXDXOSV-UHFFFAOYSA-N 0 1 378.450 3.080 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000277557492 1435312665 /nfs/dbraw/zinc/31/26/65/1435312665.db2.gz RJABHJPQJWEUNP-UHFFFAOYSA-N 0 1 396.896 3.468 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)N2CCc3sccc3C2)c2ccccc2)n1 ZINC000277557040 1435312777 /nfs/dbraw/zinc/31/27/77/1435312777.db2.gz ZIHULVNVBDHIKE-KDOFPFPSSA-N 0 1 396.516 3.286 20 0 GGADMN O=C(NC[C@H]1CCCCN1C1CC1)c1sccc1NC(=O)c1ccncc1 ZINC000277559870 1435312795 /nfs/dbraw/zinc/31/27/95/1435312795.db2.gz PDXHQMQWLFVUPI-MRXNPFEDSA-N 0 1 384.505 3.142 20 0 GGADMN CC[C@@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccccn3)CC2)C1=O ZINC000277576005 1435313937 /nfs/dbraw/zinc/31/39/37/1435313937.db2.gz YCANXPIMUXYTRF-NRFANRHFSA-N 0 1 392.503 3.462 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000277619781 1435317116 /nfs/dbraw/zinc/31/71/16/1435317116.db2.gz YVLPYHBPEURREQ-UHFFFAOYSA-N 0 1 376.434 3.069 20 0 GGADMN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277631794 1435317803 /nfs/dbraw/zinc/31/78/03/1435317803.db2.gz CJKQKKIXIHUWIC-VIFPVBQESA-N 0 1 395.353 3.275 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000277635682 1435318137 /nfs/dbraw/zinc/31/81/37/1435318137.db2.gz XNDQVGMIVHNXMU-UHFFFAOYSA-N 0 1 387.443 3.064 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277649020 1435318966 /nfs/dbraw/zinc/31/89/66/1435318966.db2.gz ICPIEEVFBCMBEA-UHFFFAOYSA-N 0 1 376.456 3.398 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277673716 1435321013 /nfs/dbraw/zinc/32/10/13/1435321013.db2.gz AKBLGGHNIFVUSU-STQMWFEESA-N 0 1 398.433 3.413 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCNC(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000277675850 1435321177 /nfs/dbraw/zinc/32/11/77/1435321177.db2.gz BRDCZHLGXWDABM-LSDHHAIUSA-N 0 1 393.491 3.469 20 0 GGADMN Cc1c(NS(=O)(=O)c2cnc(Cl)c(F)c2)cccc1C(=O)N1CCCC1 ZINC000277689433 1435322135 /nfs/dbraw/zinc/32/21/35/1435322135.db2.gz PLZWVOOPLMWSIF-UHFFFAOYSA-N 0 1 397.859 3.219 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277727279 1435324997 /nfs/dbraw/zinc/32/49/97/1435324997.db2.gz GCMHDAXLXUBHPJ-STQMWFEESA-N 0 1 397.479 3.043 20 0 GGADMN O=C(NC1CC(F)(F)C1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277736461 1435325771 /nfs/dbraw/zinc/32/57/71/1435325771.db2.gz UYBMIPKXMAQJQC-ZDUSSCGKSA-N 0 1 377.357 3.377 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000277740406 1435325969 /nfs/dbraw/zinc/32/59/69/1435325969.db2.gz GXTLEODYFSPFAM-QWHCGFSZSA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCOc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277745434 1435326681 /nfs/dbraw/zinc/32/66/81/1435326681.db2.gz HICAUVPSMMURHW-ZBFHGGJFSA-N 0 1 386.496 3.486 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC2CC(F)(F)C2)CC1 ZINC000277756580 1435327425 /nfs/dbraw/zinc/32/74/25/1435327425.db2.gz WTAPZFKHDNWLTG-ZDUSSCGKSA-N 0 1 384.446 3.126 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)Cc2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)cc1 ZINC000277759037 1435327918 /nfs/dbraw/zinc/32/79/18/1435327918.db2.gz BLZCEBMXEBJGCE-MCIONIFRSA-N 0 1 385.468 3.143 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2ccc(OC)c(OC)c2OC)n[nH]1 ZINC000277778246 1435329308 /nfs/dbraw/zinc/32/93/08/1435329308.db2.gz JDRNBOOLJYBBRG-STQMWFEESA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)n[nH]1 ZINC000277804896 1435332229 /nfs/dbraw/zinc/33/22/29/1435332229.db2.gz KUFSGHGSDOCVQN-CHWSQXEVSA-N 0 1 398.467 3.187 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)n[nH]1 ZINC000277804911 1435332255 /nfs/dbraw/zinc/33/22/55/1435332255.db2.gz KUFSGHGSDOCVQN-STQMWFEESA-N 0 1 398.467 3.187 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)n[nH]1 ZINC000277804907 1435332264 /nfs/dbraw/zinc/33/22/64/1435332264.db2.gz KUFSGHGSDOCVQN-QWHCGFSZSA-N 0 1 398.467 3.187 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(-c3cc[nH]n3)s2)CC1 ZINC000277805982 1435332501 /nfs/dbraw/zinc/33/25/01/1435332501.db2.gz ZLEOXUKUXDOMPY-AWEZNQCLSA-N 0 1 381.505 3.489 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(-c3cc[nH]n3)s2)CC1 ZINC000277805985 1435332526 /nfs/dbraw/zinc/33/25/26/1435332526.db2.gz ZLEOXUKUXDOMPY-CQSZACIVSA-N 0 1 381.505 3.489 20 0 GGADMN CC[C@]1(c2ccccc2)NC(=O)N(C2CCN([C@H](C)c3ccncc3)CC2)C1=O ZINC000277813502 1435332794 /nfs/dbraw/zinc/33/27/94/1435332794.db2.gz ZYAPBHHUUMFLGQ-UZUQRXQVSA-N 0 1 392.503 3.464 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)CC1 ZINC000277811708 1435332831 /nfs/dbraw/zinc/33/28/31/1435332831.db2.gz ZWJQOCFAWWJYQH-DYESRHJHSA-N 0 1 392.503 3.112 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)[C@H](Cc3ccccc3)N(C)C2=O)CC1 ZINC000277811721 1435332843 /nfs/dbraw/zinc/33/28/43/1435332843.db2.gz ZWJQOCFAWWJYQH-UTKZUKDTSA-N 0 1 392.503 3.112 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)n[nH]1 ZINC000277814691 1435333077 /nfs/dbraw/zinc/33/30/77/1435333077.db2.gz LHJYUMLRCCKSGQ-LSDHHAIUSA-N 0 1 383.496 3.392 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)n[nH]1 ZINC000277820712 1435333521 /nfs/dbraw/zinc/33/35/21/1435333521.db2.gz LRRNPKZTJQHGRY-USBNGQNGSA-N 0 1 393.438 3.041 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n[nH]1 ZINC000277820630 1435333560 /nfs/dbraw/zinc/33/35/60/1435333560.db2.gz LPFMIGLXRKKJIK-RISCZKNCSA-N 0 1 383.500 3.096 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000277860696 1435337099 /nfs/dbraw/zinc/33/70/99/1435337099.db2.gz OCJJGPZSDUMSPO-QWHCGFSZSA-N 0 1 391.903 3.359 20 0 GGADMN CCOC(=O)c1cnc(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c(Cl)c1 ZINC000277878282 1435338540 /nfs/dbraw/zinc/33/85/40/1435338540.db2.gz PBGMPVZSFQIOBZ-ZJUUUORDSA-N 0 1 379.848 3.034 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2c(C)nc(SC)nc2C)n[nH]1 ZINC000277949692 1435345076 /nfs/dbraw/zinc/34/50/76/1435345076.db2.gz SYGXXGKSHURVML-MFKMUULPSA-N 0 1 376.530 3.257 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n[nH]1 ZINC000277962749 1435346250 /nfs/dbraw/zinc/34/62/50/1435346250.db2.gz UMEJOTYXEWBXBZ-QWHCGFSZSA-N 0 1 382.468 3.167 20 0 GGADMN COC[C@@H](C)OC[C@@H](O)CN(Cc1cccs1)Cc1ccccc1OC ZINC000277971194 1435347042 /nfs/dbraw/zinc/34/70/42/1435347042.db2.gz APWVXQSSIKULOR-AEFFLSMTSA-N 0 1 379.522 3.171 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CCCN2c2ncnc3sccc32)n[nH]1 ZINC000277986666 1435347989 /nfs/dbraw/zinc/34/79/89/1435347989.db2.gz VZUABWULWMHANP-SGMGOOAPSA-N 0 1 399.524 3.169 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H]2CCCN2c2ncnc3sccc32)n[nH]1 ZINC000277984734 1435348062 /nfs/dbraw/zinc/34/80/62/1435348062.db2.gz VZUABWULWMHANP-OUCADQQQSA-N 0 1 399.524 3.169 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)n[nH]1 ZINC000278011623 1435349999 /nfs/dbraw/zinc/34/99/99/1435349999.db2.gz XJPXOVXZOURPAN-ONGXEEELSA-N 0 1 386.422 3.114 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)n[nH]1 ZINC000278011599 1435350046 /nfs/dbraw/zinc/35/00/46/1435350046.db2.gz XJPXOVXZOURPAN-MWLCHTKSSA-N 0 1 386.422 3.114 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)OC)n[nH]1 ZINC000278018616 1435350589 /nfs/dbraw/zinc/35/05/89/1435350589.db2.gz XVECARJWWXTJFR-RWMBFGLXSA-N 0 1 390.509 3.463 20 0 GGADMN C[C@@H]1C(=O)N([C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C(=O)N1C1CC1 ZINC000278019839 1435350848 /nfs/dbraw/zinc/35/08/48/1435350848.db2.gz VCYCIRLMVSPRBD-MLGOLLRUSA-N 0 1 381.398 3.095 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(OCCOC)cc2Cl)n[nH]1 ZINC000278037638 1435352690 /nfs/dbraw/zinc/35/26/90/1435352690.db2.gz ZCFBLXXRAXKXDK-VXGBXAGGSA-N 0 1 380.876 3.488 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(OCCOC)cc2Cl)n[nH]1 ZINC000278037632 1435352694 /nfs/dbraw/zinc/35/26/94/1435352694.db2.gz ZCFBLXXRAXKXDK-NEPJUHHUSA-N 0 1 380.876 3.488 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)C1CCC(C(F)(F)F)CC1 ZINC000278072580 1435356244 /nfs/dbraw/zinc/35/62/44/1435356244.db2.gz ZTPXNNOBSTUVBU-UHFFFAOYSA-N 0 1 382.386 3.369 20 0 GGADMN COc1cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1OC(=O)C1CC1 ZINC000278116521 1435361161 /nfs/dbraw/zinc/36/11/61/1435361161.db2.gz AOEGPSSWIKVDSL-PBHICJAKSA-N 0 1 387.398 3.146 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000278162500 1435365297 /nfs/dbraw/zinc/36/52/97/1435365297.db2.gz AQVAQHWLVWIPMO-UHFFFAOYSA-N 0 1 394.880 3.350 20 0 GGADMN CCCS(=O)(=O)CCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278167280 1435365772 /nfs/dbraw/zinc/36/57/72/1435365772.db2.gz AMUASKGQFBZZPT-UHFFFAOYSA-N 0 1 395.443 3.005 20 0 GGADMN COc1ccc(-c2cc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)[nH]n2)cc1 ZINC000278182754 1435367427 /nfs/dbraw/zinc/36/74/27/1435367427.db2.gz VMEVUWZIESRQAB-KBXCAEBGSA-N 0 1 381.436 3.061 20 0 GGADMN NC(=O)c1cccc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC000278194879 1435368259 /nfs/dbraw/zinc/36/82/59/1435368259.db2.gz BZKHJFOLVXLZIG-UHFFFAOYSA-N 0 1 394.393 3.480 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1C(=O)N1CCCCC1 ZINC000278199493 1435368720 /nfs/dbraw/zinc/36/87/20/1435368720.db2.gz FWEQVNBZSBLGIV-UHFFFAOYSA-N 0 1 398.488 3.298 20 0 GGADMN Cc1cc([C@@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(C)o1 ZINC000278218515 1435370561 /nfs/dbraw/zinc/37/05/61/1435370561.db2.gz ISDVLIWJFNTMHV-VQIMIIECSA-N 0 1 386.492 3.421 20 0 GGADMN CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(N3CCOCC3)nc1)CCC2 ZINC000278223051 1435371279 /nfs/dbraw/zinc/37/12/79/1435371279.db2.gz JIXPAOZPRZLFRE-KRWDZBQOSA-N 0 1 399.491 3.164 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000278228155 1435371729 /nfs/dbraw/zinc/37/17/29/1435371729.db2.gz FECGPCOCCSTEBI-UHFFFAOYSA-N 0 1 380.423 3.231 20 0 GGADMN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@](C)(N)c2ccccc2)c2ccc(Cl)cc21 ZINC000278249025 1435373516 /nfs/dbraw/zinc/37/35/16/1435373516.db2.gz MGVBBINHXSMJKB-SZNDQCEHSA-N 0 1 385.895 3.123 20 0 GGADMN O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1[nH]nc2c1CCC2 ZINC000278287842 1435376526 /nfs/dbraw/zinc/37/65/26/1435376526.db2.gz JFDXQRRFIPEOAW-UHFFFAOYSA-N 0 1 395.381 3.233 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000278317254 1435379380 /nfs/dbraw/zinc/37/93/80/1435379380.db2.gz DQPPDCURHJUUMF-CYBMUJFWSA-N 0 1 393.434 3.095 20 0 GGADMN Cc1ccccc1-c1nc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cs1 ZINC000278319880 1435379490 /nfs/dbraw/zinc/37/94/90/1435379490.db2.gz AEJMFVNQFQSVKT-INIZCTEOSA-N 0 1 385.533 3.444 20 0 GGADMN CN1CCN(C(=O)c2ccc(CNCc3cnc(-c4ccco4)s3)cc2)CC1 ZINC000278319859 1435379565 /nfs/dbraw/zinc/37/95/65/1435379565.db2.gz FJYHUZRNCPOBLS-UHFFFAOYSA-N 0 1 396.516 3.081 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000278322145 1435379746 /nfs/dbraw/zinc/37/97/46/1435379746.db2.gz KPFMYVIISCBCAS-SQGPQFPESA-N 0 1 375.513 3.167 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1OC ZINC000278325899 1435380197 /nfs/dbraw/zinc/38/01/97/1435380197.db2.gz FILSSOXWMCUJNI-QGZVFWFLSA-N 0 1 390.524 3.199 20 0 GGADMN CCOc1ccc(CNc2ccc(OCCN3CCN(C)CC3)cc2)cc1F ZINC000278327954 1435380453 /nfs/dbraw/zinc/38/04/53/1435380453.db2.gz FNTFZDKJAGJUEV-UHFFFAOYSA-N 0 1 387.499 3.463 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000278329178 1435380536 /nfs/dbraw/zinc/38/05/36/1435380536.db2.gz BAWJACUSWSEBDQ-KRWDZBQOSA-N 0 1 394.519 3.075 20 0 GGADMN 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COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1F ZINC000278579199 1435402206 /nfs/dbraw/zinc/40/22/06/1435402206.db2.gz OQRWGEJEUNNOCI-UHFFFAOYSA-N 0 1 396.459 3.263 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C(=O)c1ccc(Cl)cc1 ZINC000278587993 1435402766 /nfs/dbraw/zinc/40/27/66/1435402766.db2.gz ZFWKQMBIYPRQLM-JKSUJKDBSA-N 0 1 392.927 3.261 20 0 GGADMN CC(C)COc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1 ZINC000278606905 1435404960 /nfs/dbraw/zinc/40/49/60/1435404960.db2.gz FOYQDTFVXJDNHP-KRWDZBQOSA-N 0 1 379.482 3.107 20 0 GGADMN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)n1 ZINC000278611728 1435405582 /nfs/dbraw/zinc/40/55/82/1435405582.db2.gz JXNWEICYOVSMCC-AWEZNQCLSA-N 0 1 382.489 3.491 20 0 GGADMN O=C(CCc1ccc(=O)[nH]c1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000278642349 1435409154 /nfs/dbraw/zinc/40/91/54/1435409154.db2.gz LOAFMXBGTPJBHO-UHFFFAOYSA-N 0 1 396.491 3.173 20 0 GGADMN COC[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000278643867 1435409298 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O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCN(CC2CC2)CC1 ZINC000278763753 1435421216 /nfs/dbraw/zinc/42/12/16/1435421216.db2.gz YCLLBLVXKZEQQN-UHFFFAOYSA-N 0 1 382.430 3.124 20 0 GGADMN Cc1ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1C(=O)N1CCCCC1 ZINC000278812334 1435426071 /nfs/dbraw/zinc/42/60/71/1435426071.db2.gz HMFMRIRNNBIUEU-UHFFFAOYSA-N 0 1 399.413 3.017 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000278826739 1435427712 /nfs/dbraw/zinc/42/77/12/1435427712.db2.gz JELSNFFYZZXTPQ-OAHLLOKOSA-N 0 1 378.463 3.098 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1)c1ccccc1 ZINC000278865523 1435432884 /nfs/dbraw/zinc/43/28/84/1435432884.db2.gz FXOFUEHMMRXXHO-MAUKXSAKSA-N 0 1 378.480 3.045 20 0 GGADMN CCN(C)[C@@H](C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccccc1 ZINC000278865523 1435432892 /nfs/dbraw/zinc/43/28/92/1435432892.db2.gz FXOFUEHMMRXXHO-MAUKXSAKSA-N 0 1 378.480 3.045 20 0 GGADMN Cc1nc(-c2cccs2)ccc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278872147 1435433855 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Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000278913524 1435439217 /nfs/dbraw/zinc/43/92/17/1435439217.db2.gz GSXJWZSBWRJVOI-IBGZPJMESA-N 0 1 383.496 3.011 20 0 GGADMN Cc1ccc(Cc2nc(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)cs2)cc1 ZINC000278918072 1435439801 /nfs/dbraw/zinc/43/98/01/1435439801.db2.gz UNWNKJHPVQOOAE-KRWDZBQOSA-N 0 1 399.560 3.368 20 0 GGADMN Cc1c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cccc1-c1ccccn1 ZINC000278948518 1435444056 /nfs/dbraw/zinc/44/40/56/1435444056.db2.gz YNRZQOABXBGBEC-QGZVFWFLSA-N 0 1 379.504 3.382 20 0 GGADMN Cc1c(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cccc1-c1ccccn1 ZINC000278948515 1435444134 /nfs/dbraw/zinc/44/41/34/1435444134.db2.gz YNRZQOABXBGBEC-KRWDZBQOSA-N 0 1 379.504 3.382 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2nnn(CC3CCCC3)c2C)N2CCCC2)o1 ZINC000278948290 1435444152 /nfs/dbraw/zinc/44/41/52/1435444152.db2.gz CVTYSGIVVGKSGS-GOSISDBHSA-N 0 1 385.512 3.245 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCC[C@@H](C)c3cccc(OC)c3)C2)CC1 ZINC000278953147 1435444709 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GGADMN CC(=O)Nc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cn1 ZINC000280005398 1435575184 /nfs/dbraw/zinc/57/51/84/1435575184.db2.gz LKOGYWRIXILTJE-SFHVURJKSA-N 0 1 392.463 3.271 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000280005938 1435575589 /nfs/dbraw/zinc/57/55/89/1435575589.db2.gz SPGYHPVWCSQILC-UHFFFAOYSA-N 0 1 394.424 3.209 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(C2CC2)cnc1Cl ZINC000280023296 1435578597 /nfs/dbraw/zinc/57/85/97/1435578597.db2.gz UINYWRYCZHZFDI-FXAWDEMLSA-N 0 1 399.922 3.225 20 0 GGADMN CNC(=O)COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(C)c1 ZINC000280038126 1435580844 /nfs/dbraw/zinc/58/08/44/1435580844.db2.gz WKEGTJJIBMLZNM-NRFANRHFSA-N 0 1 395.503 3.113 20 0 GGADMN CNC(=O)COc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c(C)c1 ZINC000280038126 1435580848 /nfs/dbraw/zinc/58/08/48/1435580848.db2.gz WKEGTJJIBMLZNM-NRFANRHFSA-N 0 1 395.503 3.113 20 0 GGADMN C[C@H](NC(=O)C(C)(C)C1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000280040855 1435581711 /nfs/dbraw/zinc/58/17/11/1435581711.db2.gz MBOZDJCVCBTUIX-INIZCTEOSA-N 0 1 391.531 3.208 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000280046333 1435582585 /nfs/dbraw/zinc/58/25/85/1435582585.db2.gz JIIJWYIGLOVXOF-ZDUSSCGKSA-N 0 1 394.518 3.349 20 0 GGADMN O=C(Nc1cccc(CNCc2ccnn2-c2ccc(F)cc2)c1)[C@@H]1CCCO1 ZINC000280057258 1435584680 /nfs/dbraw/zinc/58/46/80/1435584680.db2.gz WPISUUSUXATSPU-NRFANRHFSA-N 0 1 394.450 3.419 20 0 GGADMN CN(C)[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000280067226 1435586429 /nfs/dbraw/zinc/58/64/29/1435586429.db2.gz BNLFCXDVMSTAMN-MRXNPFEDSA-N 0 1 381.398 3.158 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc(OCC(=O)NC)cc1C)c1ccccc1 ZINC000280069544 1435586767 /nfs/dbraw/zinc/58/67/67/1435586767.db2.gz ZYUFUXYNNWCXRR-NRFANRHFSA-N 0 1 383.492 3.141 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](NCc1ccnc(OC3CCOCC3)c1)CC2 ZINC000280088173 1435589746 /nfs/dbraw/zinc/58/97/46/1435589746.db2.gz MDFUZBJYXAVRCY-IBGZPJMESA-N 0 1 384.476 3.434 20 0 GGADMN CCC[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@@H](O)c1ccccc1 ZINC000280100421 1435592550 /nfs/dbraw/zinc/59/25/50/1435592550.db2.gz XGDPBMMHAGJUBR-VXKWHMMOSA-N 0 1 396.535 3.248 20 0 GGADMN CCC[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@@H](O)c1ccccc1 ZINC000280100423 1435592581 /nfs/dbraw/zinc/59/25/81/1435592581.db2.gz XGDPBMMHAGJUBR-YADHBBJMSA-N 0 1 396.535 3.248 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccnn2-c2ccc(F)cc2)c1 ZINC000280120029 1435595375 /nfs/dbraw/zinc/59/53/75/1435595375.db2.gz COVYXGIJPSXSQS-OAQYLSRUSA-N 0 1 393.466 3.073 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](N[C@@H]1CCN(Cc3ccc(F)cc3)C1=O)CC2 ZINC000280154084 1435600425 /nfs/dbraw/zinc/60/04/25/1435600425.db2.gz QIWDFJBGKBFBDO-RBUKOAKNSA-N 0 1 384.451 3.221 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)C[N@H+]1Cc1ccccc1 ZINC000280164609 1435602027 /nfs/dbraw/zinc/60/20/27/1435602027.db2.gz NOENOUHWTUUMDN-QRQLOZEOSA-N 0 1 397.523 3.099 20 0 GGADMN O=C(CN1CCOCc2ccccc21)Nc1cccc(CN2CCSCC2)c1 ZINC000280222379 1435612146 /nfs/dbraw/zinc/61/21/46/1435612146.db2.gz AQMKXBCVRCFGAS-UHFFFAOYSA-N 0 1 397.544 3.211 20 0 GGADMN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000280270293 1435622767 /nfs/dbraw/zinc/62/27/67/1435622767.db2.gz PIUZUFWAHHBYRK-SFHVURJKSA-N 0 1 383.423 3.385 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000280289539 1435627240 /nfs/dbraw/zinc/62/72/40/1435627240.db2.gz FAYSSVGCPSXKQD-JOCHJYFZSA-N 0 1 399.491 3.039 20 0 GGADMN CC(=O)N(c1nc(/C=C/C(=O)NCCN2CC=CCC2)cs1)c1ccccc1 ZINC000280295773 1435628967 /nfs/dbraw/zinc/62/89/67/1435628967.db2.gz RMFVBHGIKPDYHV-ZHACJKMWSA-N 0 1 396.516 3.219 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000280311615 1435632253 /nfs/dbraw/zinc/63/22/53/1435632253.db2.gz XARKDYFRLLEYKR-UHFFFAOYSA-N 0 1 392.503 3.307 20 0 GGADMN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000280335049 1435638195 /nfs/dbraw/zinc/63/81/95/1435638195.db2.gz GESJLPLZJHZGFO-PMACEKPBSA-N 0 1 399.539 3.451 20 0 GGADMN CC(C)CC[C@H](O)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000280371428 1435646345 /nfs/dbraw/zinc/64/63/45/1435646345.db2.gz DSWDVGMSSJACNT-KRWDZBQOSA-N 0 1 392.569 3.145 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cnc(C(C)C)nc3)[nH]c2c1 ZINC000280379860 1435648809 /nfs/dbraw/zinc/64/88/09/1435648809.db2.gz PKLIQZSPTNFNBA-QGZVFWFLSA-N 0 1 392.463 3.087 20 0 GGADMN CS(=O)(=O)C1(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)CCC1 ZINC000280479764 1435667716 /nfs/dbraw/zinc/66/77/16/1435667716.db2.gz JBHWIWSALQMPMF-UHFFFAOYSA-N 0 1 387.436 3.275 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(CCC(=O)NC(c1ccccc1)c1ccccc1)CCO2 ZINC000280504537 1435670691 /nfs/dbraw/zinc/67/06/91/1435670691.db2.gz RAHMXVLHCRIXLJ-YADARESESA-N 0 1 394.515 3.162 20 0 GGADMN Cc1noc(C)c1C(C)(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000280507413 1435671113 /nfs/dbraw/zinc/67/11/13/1435671113.db2.gz JMGYCFXKXWAVCP-FQEVSTJZSA-N 0 1 398.551 3.064 20 0 GGADMN Cc1noc(C)c1C(C)(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000280507414 1435671196 /nfs/dbraw/zinc/67/11/96/1435671196.db2.gz JMGYCFXKXWAVCP-HXUWFJFHSA-N 0 1 398.551 3.064 20 0 GGADMN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000280531035 1435674329 /nfs/dbraw/zinc/67/43/29/1435674329.db2.gz CXTHEOUBZNBRTO-ZHRRBRCNSA-N 0 1 381.476 3.264 20 0 GGADMN CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN(CCOC)C1 ZINC000280540710 1435676253 /nfs/dbraw/zinc/67/62/53/1435676253.db2.gz OIAVVKUYRLEAOJ-ZDUSSCGKSA-N 0 1 377.872 3.008 20 0 GGADMN CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000280540701 1435676324 /nfs/dbraw/zinc/67/63/24/1435676324.db2.gz OIAVVKUYRLEAOJ-CYBMUJFWSA-N 0 1 377.872 3.008 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000280557723 1435679522 /nfs/dbraw/zinc/67/95/22/1435679522.db2.gz QXDCRDARWHMPNQ-JOCHJYFZSA-N 0 1 387.524 3.189 20 0 GGADMN Cc1cccc(CC2(O)CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC000280561789 1435680400 /nfs/dbraw/zinc/68/04/00/1435680400.db2.gz RFHNIFQCTLXPST-OAQYLSRUSA-N 0 1 380.488 3.390 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)n1 ZINC000280588696 1435684099 /nfs/dbraw/zinc/68/40/99/1435684099.db2.gz VQMKKZGGWGJMMR-UHFFFAOYSA-N 0 1 379.289 3.098 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000280603417 1435687251 /nfs/dbraw/zinc/68/72/51/1435687251.db2.gz VIOATUFHWAGNLE-NPPFBWRTSA-N 0 1 389.540 3.130 20 0 GGADMN CCc1ccc(-c2noc([C@H](C)N[C@@H](C)C3CCS(=O)(=O)CC3)n2)cc1 ZINC000280623325 1435691560 /nfs/dbraw/zinc/69/15/60/1435691560.db2.gz PSPLSCPYBVDDHH-KBPBESRZSA-N 0 1 377.510 3.163 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000280641779 1435696154 /nfs/dbraw/zinc/69/61/54/1435696154.db2.gz CLLHKQHILVXGRH-UHFFFAOYSA-N 0 1 385.468 3.280 20 0 GGADMN O=C(NCc1c(F)cc(F)c(F)c1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000280672320 1435701612 /nfs/dbraw/zinc/70/16/12/1435701612.db2.gz FIMXHMZSZYNFLD-SNVBAGLBSA-N 0 1 397.376 3.328 20 0 GGADMN COc1ccccc1-n1nccc1CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000280748249 1435714137 /nfs/dbraw/zinc/71/41/37/1435714137.db2.gz BHCFFGGKLLBYLP-KRWDZBQOSA-N 0 1 388.475 3.303 20 0 GGADMN COc1ccccc1-n1nccc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000280748253 1435714286 /nfs/dbraw/zinc/71/42/86/1435714286.db2.gz BHCFFGGKLLBYLP-QGZVFWFLSA-N 0 1 388.475 3.303 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC[C@@](C)(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000280773593 1435717982 /nfs/dbraw/zinc/71/79/82/1435717982.db2.gz DNLAJVDVKLETGT-MOXGXCLJSA-N 0 1 397.922 3.418 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000280783910 1435720011 /nfs/dbraw/zinc/72/00/11/1435720011.db2.gz BLRNYBUULLJPTP-LJQANCHMSA-N 0 1 389.565 3.151 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(CN3CCSCC3)cc2C)CC1 ZINC000280787086 1435720516 /nfs/dbraw/zinc/72/05/16/1435720516.db2.gz QBEVXMQASJITLL-IYARVYRRSA-N 0 1 390.549 3.462 20 0 GGADMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793429 1435721617 /nfs/dbraw/zinc/72/16/17/1435721617.db2.gz HSPMMJOQGDCDSR-FZMZJTMJSA-N 0 1 399.948 3.292 20 0 GGADMN COc1cccc(OC)c1OC1CCN(C(=O)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000280829951 1435727602 /nfs/dbraw/zinc/72/76/02/1435727602.db2.gz XOTDUDRWQFCAEU-FQEVSTJZSA-N 0 1 384.476 3.082 20 0 GGADMN NC(=O)c1ccccc1CCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000280833162 1435728414 /nfs/dbraw/zinc/72/84/14/1435728414.db2.gz OJMOPXSFRHBWBP-UHFFFAOYSA-N 0 1 399.922 3.152 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)n[nH]1 ZINC000280838074 1435728812 /nfs/dbraw/zinc/72/88/12/1435728812.db2.gz PXUAMOCIWJAWET-CJNGLKHVSA-N 0 1 387.484 3.119 20 0 GGADMN CSc1ccccc1CN(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000280856013 1435731303 /nfs/dbraw/zinc/73/13/03/1435731303.db2.gz KNORHHQXSBCVGE-UHFFFAOYSA-N 0 1 397.504 3.447 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000280860932 1435731802 /nfs/dbraw/zinc/73/18/02/1435731802.db2.gz XYEAXHJNRQQOPA-SFHVURJKSA-N 0 1 388.537 3.318 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)c2ccc(F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280894089 1435737753 /nfs/dbraw/zinc/73/77/53/1435737753.db2.gz QJDSIMRGNFWBAR-QRWLVFNGSA-N 0 1 377.481 3.471 20 0 GGADMN CCC[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H](O)c1ccccc1 ZINC000280899376 1435738457 /nfs/dbraw/zinc/73/84/57/1435738457.db2.gz SXJUVHSSARGTOE-VXKWHMMOSA-N 0 1 396.535 3.248 20 0 GGADMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000280909524 1435740774 /nfs/dbraw/zinc/74/07/74/1435740774.db2.gz FPTREYPKZXGEJW-ZDUSSCGKSA-N 0 1 392.883 3.280 20 0 GGADMN CC[C@H](N[C@H](CCO)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280921596 1435742422 /nfs/dbraw/zinc/74/24/22/1435742422.db2.gz RELSPEYNHRNZDL-ZWKOTPCHSA-N 0 1 396.940 3.413 20 0 GGADMN Cc1ccc([C@H](NCCc2nc3ccccc3n2C)[C@H](C)S(C)(=O)=O)cc1 ZINC000280924815 1435742559 /nfs/dbraw/zinc/74/25/59/1435742559.db2.gz UNAZLPDIHRXVGR-HRAATJIYSA-N 0 1 385.533 3.188 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@](C)(O)CC1)N1CCCCC1 ZINC000280925683 1435742688 /nfs/dbraw/zinc/74/26/88/1435742688.db2.gz VNKNFKCQSRVGHZ-KNQAVFIVSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@@](C)(O)CC1)N1CCCCC1 ZINC000280925686 1435742849 /nfs/dbraw/zinc/74/28/49/1435742849.db2.gz VNKNFKCQSRVGHZ-SIKLNZKXSA-N 0 1 389.540 3.169 20 0 GGADMN O=C(Cc1ncccc1F)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000280926773 1435743186 /nfs/dbraw/zinc/74/31/86/1435743186.db2.gz OSEBDBNGWSFJGL-HNNXBMFYSA-N 0 1 381.373 3.173 20 0 GGADMN CCn1cc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c(C(F)(F)F)n1 ZINC000280955139 1435747060 /nfs/dbraw/zinc/74/70/60/1435747060.db2.gz YANKKJQTDRCOJK-ZDUSSCGKSA-N 0 1 395.429 3.393 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280963308 1435748451 /nfs/dbraw/zinc/74/84/51/1435748451.db2.gz JWUXNLAIICRQBC-JOCHJYFZSA-N 0 1 391.471 3.396 20 0 GGADMN CSc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(=O)[n-]1 ZINC000280968430 1435749139 /nfs/dbraw/zinc/74/91/39/1435749139.db2.gz LLAYGNQFWWDWMA-MRXNPFEDSA-N 0 1 392.569 3.058 20 0 GGADMN CSc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(=O)[n-]1 ZINC000280968430 1435749143 /nfs/dbraw/zinc/74/91/43/1435749143.db2.gz LLAYGNQFWWDWMA-MRXNPFEDSA-N 0 1 392.569 3.058 20 0 GGADMN COc1ccccc1C[N@H+](CCO)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000281014397 1435756135 /nfs/dbraw/zinc/75/61/35/1435756135.db2.gz NUCURSNMCRABTE-UHFFFAOYSA-N 0 1 389.835 3.155 20 0 GGADMN COc1ccccc1C[N@@H+](CCO)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000281014397 1435756153 /nfs/dbraw/zinc/75/61/53/1435756153.db2.gz NUCURSNMCRABTE-UHFFFAOYSA-N 0 1 389.835 3.155 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000281013864 1435756208 /nfs/dbraw/zinc/75/62/08/1435756208.db2.gz MXKOGUCTSNKWFJ-MRXNPFEDSA-N 0 1 399.564 3.116 20 0 GGADMN CCOC(=O)[C@@H](CCOC)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000281027332 1435759110 /nfs/dbraw/zinc/75/91/10/1435759110.db2.gz BPHOYCCWIZLRRB-OAQYLSRUSA-N 0 1 398.503 3.017 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1nnc2ccccc2n1 ZINC000281044493 1435762456 /nfs/dbraw/zinc/76/24/56/1435762456.db2.gz WQPQNDUVPUASDU-UHFFFAOYSA-N 0 1 379.489 3.134 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000281063004 1435766088 /nfs/dbraw/zinc/76/60/88/1435766088.db2.gz SAZWJGAVIIJWIC-ZDUSSCGKSA-N 0 1 392.883 3.136 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)n[nH]1 ZINC000281074572 1435768895 /nfs/dbraw/zinc/76/88/95/1435768895.db2.gz QPROMMABLWUICX-QWRGUYRKSA-N 0 1 390.419 3.297 20 0 GGADMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](OCc2ccncc2)C1 ZINC000281116579 1435777889 /nfs/dbraw/zinc/77/78/89/1435777889.db2.gz XEESWYMBGYKYCC-ZOJOIENFSA-N 0 1 383.536 3.146 20 0 GGADMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](OCc2ccncc2)C1 ZINC000281116572 1435778302 /nfs/dbraw/zinc/77/83/02/1435778302.db2.gz XEESWYMBGYKYCC-SZROVADBSA-N 0 1 383.536 3.146 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)nn3)c(C(F)(F)F)c2)CC1 ZINC000281130939 1435781564 /nfs/dbraw/zinc/78/15/64/1435781564.db2.gz JCDSWTBACMHOSV-UHFFFAOYSA-N 0 1 399.804 3.153 20 0 GGADMN CCOC(=O)c1ccc(N2CCCN(Cc3cn(C(C)C)nc3C)CC2)nc1 ZINC000281156219 1435785349 /nfs/dbraw/zinc/78/53/49/1435785349.db2.gz BDJBXYDXDUSXTQ-UHFFFAOYSA-N 0 1 385.512 3.056 20 0 GGADMN O=C([N-]CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1)C(F)(F)F ZINC000281152932 1435785511 /nfs/dbraw/zinc/78/55/11/1435785511.db2.gz FPKLRHHYHLXQGJ-UHFFFAOYSA-N 0 1 394.397 3.159 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281178142 1435790399 /nfs/dbraw/zinc/79/03/99/1435790399.db2.gz ASFNLPSDTFPIHN-WDYCEAGBSA-N 0 1 379.460 3.111 20 0 GGADMN CSc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000281187376 1435792234 /nfs/dbraw/zinc/79/22/34/1435792234.db2.gz MEYDYCAKUPVINJ-KBPBESRZSA-N 0 1 392.546 3.490 20 0 GGADMN CSc1ccc([C@H](C)NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC000281189780 1435792573 /nfs/dbraw/zinc/79/25/73/1435792573.db2.gz BPYUCEPHFUQJNX-INIZCTEOSA-N 0 1 391.581 3.165 20 0 GGADMN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000281186515 1435792747 /nfs/dbraw/zinc/79/27/47/1435792747.db2.gz QXTHJPVBVZJIHR-HOCLYGCPSA-N 0 1 385.501 3.001 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)CC2 ZINC000281209313 1435795919 /nfs/dbraw/zinc/79/59/19/1435795919.db2.gz KTFGVEOKTATXBA-OXQOHEQNSA-N 0 1 386.927 3.132 20 0 GGADMN CSCCCN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000281217165 1435798158 /nfs/dbraw/zinc/79/81/58/1435798158.db2.gz OEOBISBLELOZOD-OAHLLOKOSA-N 0 1 382.549 3.033 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1N(C)C(C)C ZINC000281236734 1435800208 /nfs/dbraw/zinc/80/02/08/1435800208.db2.gz CRDANSRDMNIOCD-UHFFFAOYSA-N 0 1 391.493 3.299 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@H]1c1cc(C)ccc1C ZINC000281236405 1435800212 /nfs/dbraw/zinc/80/02/12/1435800212.db2.gz IFJPNGSJJMUMQH-NRFANRHFSA-N 0 1 389.565 3.498 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281241514 1435800336 /nfs/dbraw/zinc/80/03/36/1435800336.db2.gz NGKZSVKIUHDZFN-HXUWFJFHSA-N 0 1 391.512 3.491 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000281239100 1435800361 /nfs/dbraw/zinc/80/03/61/1435800361.db2.gz IMLPLAJRXRMSPJ-RDTXWAMCSA-N 0 1 393.528 3.062 20 0 GGADMN COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000281245227 1435800611 /nfs/dbraw/zinc/80/06/11/1435800611.db2.gz FRALXTOLZIAIQV-GFCCVEGCSA-N 0 1 382.468 3.126 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000281244631 1435800618 /nfs/dbraw/zinc/80/06/18/1435800618.db2.gz DDIDWUXURGVGOV-CYBMUJFWSA-N 0 1 386.521 3.452 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000281246372 1435800641 /nfs/dbraw/zinc/80/06/41/1435800641.db2.gz JCLPZNDACCANHZ-OAHLLOKOSA-N 0 1 389.565 3.274 20 0 GGADMN C[C@H](NCC1(S(C)(=O)=O)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000281257865 1435801158 /nfs/dbraw/zinc/80/11/58/1435801158.db2.gz WHWOSZLGWJMENH-INIZCTEOSA-N 0 1 399.516 3.141 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCCC[C@H]1Cc1ccccc1 ZINC000281267322 1435801581 /nfs/dbraw/zinc/80/15/81/1435801581.db2.gz KVJMAGJXINCJSQ-FQEVSTJZSA-N 0 1 389.565 3.142 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@@](C)(C(=O)NC)C1 ZINC000281294238 1435802686 /nfs/dbraw/zinc/80/26/86/1435802686.db2.gz WVAAOAVRLUZOOB-NZQKXSOJSA-N 0 1 395.503 3.223 20 0 GGADMN CC(C)n1cnc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c1 ZINC000281342357 1435804644 /nfs/dbraw/zinc/80/46/44/1435804644.db2.gz STBLBGJGNGTTAP-UHFFFAOYSA-N 0 1 395.429 3.487 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281366502 1435805846 /nfs/dbraw/zinc/80/58/46/1435805846.db2.gz WITJSUJTMZKYOU-JOCHJYFZSA-N 0 1 382.483 3.130 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000281367106 1435805919 /nfs/dbraw/zinc/80/59/19/1435805919.db2.gz LNDAZPOQCFFDGZ-PILAGYSTSA-N 0 1 387.492 3.444 20 0 GGADMN COCCN1CC[C@@H](NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)C1 ZINC000281394160 1435807043 /nfs/dbraw/zinc/80/70/43/1435807043.db2.gz NMSJIUDFADPFJN-GFCCVEGCSA-N 0 1 398.290 3.407 20 0 GGADMN Cc1ccc2c(C[NH+]3CCC(C[N-]C(=O)C(F)(F)F)CC3)cc(=O)oc2c1C ZINC000281397289 1435807219 /nfs/dbraw/zinc/80/72/19/1435807219.db2.gz QGACTRACRBOCED-UHFFFAOYSA-N 0 1 396.409 3.300 20 0 GGADMN Cc1nn(C(C)C)cc1CN[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000281398709 1435807251 /nfs/dbraw/zinc/80/72/51/1435807251.db2.gz PLMCVLIWZPHSQQ-IBGZPJMESA-N 0 1 376.451 3.331 20 0 GGADMN Cc1cc2oc(=O)cc(C[NH+]3CCC(C[N-]C(=O)C(F)(F)F)CC3)c2cc1C ZINC000281399321 1435807340 /nfs/dbraw/zinc/80/73/40/1435807340.db2.gz QKISWJTVUARBNJ-UHFFFAOYSA-N 0 1 396.409 3.300 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000281409032 1435807836 /nfs/dbraw/zinc/80/78/36/1435807836.db2.gz OKBYICAACXAKIU-HHHXNRCGSA-N 0 1 383.517 3.378 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(CNCc2ccncc2OCC(F)(F)F)cc1 ZINC000281424453 1435808272 /nfs/dbraw/zinc/80/82/72/1435808272.db2.gz ZDNFBCQYBOXKJU-CYBMUJFWSA-N 0 1 398.381 3.253 20 0 GGADMN COc1ccccc1-c1nc(C2CCN(C[C@@](C)(O)C(F)(F)F)CC2)no1 ZINC000281421795 1435808275 /nfs/dbraw/zinc/80/82/75/1435808275.db2.gz RTTANSQHYJKAOC-QGZVFWFLSA-N 0 1 385.386 3.238 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281422274 1435808294 /nfs/dbraw/zinc/80/82/94/1435808294.db2.gz OTZLYFKNXSIYHI-ZTNFWEORSA-N 0 1 379.460 3.430 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CCc4ccccc4C(N)=O)C3)[nH]c2c1 ZINC000281428419 1435808552 /nfs/dbraw/zinc/80/85/52/1435808552.db2.gz DNQGRQDFLZVDRS-KRWDZBQOSA-N 0 1 390.487 3.309 20 0 GGADMN Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281493551 1435811217 /nfs/dbraw/zinc/81/12/17/1435811217.db2.gz XMLZPNYEFLVIRK-UHFFFAOYSA-N 0 1 399.457 3.413 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2ccc(SC)cc2)n1 ZINC000281529486 1435812448 /nfs/dbraw/zinc/81/24/48/1435812448.db2.gz WAQUNMXJANHMHM-LBPRGKRZSA-N 0 1 393.534 3.260 20 0 GGADMN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)NCCN2CC=CCC2)c1 ZINC000281549505 1435813173 /nfs/dbraw/zinc/81/31/73/1435813173.db2.gz XOYZIITUVRQGFK-UHFFFAOYSA-N 0 1 378.904 3.204 20 0 GGADMN CSc1ccc([C@@H](C)NCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000281559653 1435813567 /nfs/dbraw/zinc/81/35/67/1435813567.db2.gz YEHJDHWBYXYONC-OAHLLOKOSA-N 0 1 397.544 3.268 20 0 GGADMN Cc1nn(C(C)C)cc1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000281565632 1435813818 /nfs/dbraw/zinc/81/38/18/1435813818.db2.gz KAGCKPVFKNUCRC-UHFFFAOYSA-N 0 1 384.480 3.352 20 0 GGADMN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000281641585 1435816832 /nfs/dbraw/zinc/81/68/32/1435816832.db2.gz HKKJIRYCJYXGRC-QGZVFWFLSA-N 0 1 396.472 3.308 20 0 GGADMN COc1ccccc1-n1nccc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000281690724 1435818472 /nfs/dbraw/zinc/81/84/72/1435818472.db2.gz PCNZTZLYPLUTFI-UHFFFAOYSA-N 0 1 394.475 3.124 20 0 GGADMN CN(C(=O)CN[C@]1(CO)CCCc2ccccc21)c1nc2ccccc2s1 ZINC000281738489 1435820186 /nfs/dbraw/zinc/82/01/86/1435820186.db2.gz QIDBIYMUDPGDIU-NRFANRHFSA-N 0 1 381.501 3.073 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n[nH]1 ZINC000281766584 1435821226 /nfs/dbraw/zinc/82/12/26/1435821226.db2.gz LUHWBARSIXAJFA-VVBPWWLESA-N 0 1 397.523 3.237 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1NC(C)(C)C)c1cccs1 ZINC000281773405 1435821510 /nfs/dbraw/zinc/82/15/10/1435821510.db2.gz YKYWRBPOJWTQIQ-INIZCTEOSA-N 0 1 388.537 3.316 20 0 GGADMN CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)[C@@H](C)C1 ZINC000281781957 1435821708 /nfs/dbraw/zinc/82/17/08/1435821708.db2.gz BMTHLFWJDQMHEF-LZLYRXPVSA-N 0 1 387.524 3.011 20 0 GGADMN OC[C@]1(NCc2ccc(OCc3ccccn3)cc2)CCOc2ccccc21 ZINC000281793598 1435822317 /nfs/dbraw/zinc/82/23/17/1435822317.db2.gz UTENEPLIRLLYPZ-HSZRJFAPSA-N 0 1 376.456 3.421 20 0 GGADMN Cc1ncc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C2CC2)n1 ZINC000281797520 1435822394 /nfs/dbraw/zinc/82/23/94/1435822394.db2.gz IDKVASMYVVXZHZ-AWEZNQCLSA-N 0 1 397.498 3.044 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1C ZINC000281822216 1435823186 /nfs/dbraw/zinc/82/31/86/1435823186.db2.gz PFBICVUDCVBQQA-UHFFFAOYSA-N 0 1 382.424 3.166 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccnn1-c1ccccc1 ZINC000281825855 1435823333 /nfs/dbraw/zinc/82/33/33/1435823333.db2.gz ZYCMSVFEROXQHI-HTAPYJJXSA-N 0 1 389.503 3.495 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CC[C@H](OC)C[C@@H]1C)N1CCCCC1 ZINC000281861808 1435824578 /nfs/dbraw/zinc/82/45/78/1435824578.db2.gz OFTSKKZOQYDUAW-BJLQDIEVSA-N 0 1 389.540 3.431 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000281868833 1435824778 /nfs/dbraw/zinc/82/47/78/1435824778.db2.gz ORGHYNPHPLOPMH-INIZCTEOSA-N 0 1 399.564 3.116 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000281874102 1435825002 /nfs/dbraw/zinc/82/50/02/1435825002.db2.gz WOLZKOJEGWBXPK-LBPRGKRZSA-N 0 1 395.488 3.089 20 0 GGADMN C[C@H](NC(=O)CCCC1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000281880188 1435825291 /nfs/dbraw/zinc/82/52/91/1435825291.db2.gz OBCBUGCLULDFLR-KRWDZBQOSA-N 0 1 391.531 3.352 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)N(C)CC(F)(F)F ZINC000281879184 1435825318 /nfs/dbraw/zinc/82/53/18/1435825318.db2.gz ORQSDOJUKIJLSP-VHSXEESVSA-N 0 1 386.340 3.017 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)N(C)CC(F)(F)F ZINC000281879192 1435825333 /nfs/dbraw/zinc/82/53/33/1435825333.db2.gz ORQSDOJUKIJLSP-ZJUUUORDSA-N 0 1 386.340 3.017 20 0 GGADMN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000281884052 1435825393 /nfs/dbraw/zinc/82/53/93/1435825393.db2.gz CWXKUVPLOQYCLN-FQEVSTJZSA-N 0 1 396.539 3.199 20 0 GGADMN O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cn[nH]c1-c1ccncc1 ZINC000281901902 1435826140 /nfs/dbraw/zinc/82/61/40/1435826140.db2.gz UGGRPVOZRUGOQA-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)NC1CCN(Cc2ccncc2)CC1 ZINC000281949549 1435828149 /nfs/dbraw/zinc/82/81/49/1435828149.db2.gz XVDGEKQLRYKPNY-XGAFWQRZSA-N 0 1 382.483 3.431 20 0 GGADMN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000281955235 1435828391 /nfs/dbraw/zinc/82/83/91/1435828391.db2.gz ATJOHQVRFMVDLI-AWEZNQCLSA-N 0 1 388.480 3.239 20 0 GGADMN Cc1cccc(OC[C@@H](O)CNCc2cnc(NC(=O)OC(C)(C)C)s2)c1 ZINC000281970732 1435829032 /nfs/dbraw/zinc/82/90/32/1435829032.db2.gz KARVFLWVLXUXQJ-AWEZNQCLSA-N 0 1 393.509 3.328 20 0 GGADMN COCCn1cc(CNCc2ccc(OCc3cccs3)c(OC)c2)cn1 ZINC000281973027 1435829220 /nfs/dbraw/zinc/82/92/20/1435829220.db2.gz KCZDTHCWCOOEHL-UHFFFAOYSA-N 0 1 387.505 3.468 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)n[nH]1 ZINC000281974662 1435829350 /nfs/dbraw/zinc/82/93/50/1435829350.db2.gz MBSPDAOZJWKNNJ-JOYOIKCWSA-N 0 1 377.876 3.404 20 0 GGADMN COCc1noc(CN2CCN(C[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000281983731 1435829670 /nfs/dbraw/zinc/82/96/70/1435829670.db2.gz HULSIDQAABFHKI-CQSZACIVSA-N 0 1 398.429 3.156 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000282021175 1435831374 /nfs/dbraw/zinc/83/13/74/1435831374.db2.gz JKFCTEXLZNFTQZ-STQMWFEESA-N 0 1 389.456 3.143 20 0 GGADMN Cc1nc(-c2ccc(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)cc2)cs1 ZINC000282063161 1435833090 /nfs/dbraw/zinc/83/30/90/1435833090.db2.gz BCJKXHKIROXCPE-HXUWFJFHSA-N 0 1 386.565 3.120 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C(C)(C)c3c(C)noc3C)n2)c(OC)c1 ZINC000282076967 1435833616 /nfs/dbraw/zinc/83/36/16/1435833616.db2.gz VWGGPCYGCFSOJC-UHFFFAOYSA-N 0 1 385.424 3.010 20 0 GGADMN Cc1cc([C@@H](C)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)oc1C ZINC000282093092 1435834271 /nfs/dbraw/zinc/83/42/71/1435834271.db2.gz IFGAFMMWZVDSNI-QAPCUYQASA-N 0 1 392.521 3.205 20 0 GGADMN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)O1 ZINC000282108329 1435834932 /nfs/dbraw/zinc/83/49/32/1435834932.db2.gz JRXILOUHJWPDMD-PBFPGSCMSA-N 0 1 385.430 3.209 20 0 GGADMN O=C(c1ccccc1)N1CC[C@@H](CSc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000282132082 1435835850 /nfs/dbraw/zinc/83/58/50/1435835850.db2.gz CQDQHOYKMUDOBW-CQSZACIVSA-N 0 1 380.473 3.432 20 0 GGADMN Cc1cc(CNCc2ccncc2OCC(F)(F)F)ccc1-n1cncn1 ZINC000282172181 1435837280 /nfs/dbraw/zinc/83/72/80/1435837280.db2.gz JJAUIHQNWIQOFI-UHFFFAOYSA-N 0 1 377.370 3.202 20 0 GGADMN CC(C)(C)OC(=O)N=c1[nH]cc(CNCc2cccc(-n3cncn3)c2)s1 ZINC000282175663 1435837346 /nfs/dbraw/zinc/83/73/46/1435837346.db2.gz ZBGXMZWLFNMENS-UHFFFAOYSA-N 0 1 386.481 3.361 20 0 GGADMN C[N@H+]1CCN(CCNC(=O)Nc2cccc(Oc3ccncc3)c2)CC1(C)C ZINC000282241229 1435839721 /nfs/dbraw/zinc/83/97/21/1435839721.db2.gz NZYTXITUMFFKQZ-UHFFFAOYSA-N 0 1 383.496 3.021 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)N1CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C1)CC2 ZINC000282259512 1435840454 /nfs/dbraw/zinc/84/04/54/1435840454.db2.gz JAJCNGJOAJSVQY-AEFFLSMTSA-N 0 1 396.539 3.097 20 0 GGADMN CC(C)Oc1cc(F)ccc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282302262 1435842372 /nfs/dbraw/zinc/84/23/72/1435842372.db2.gz SNBYPLLJWFYCLY-INIZCTEOSA-N 0 1 379.476 3.189 20 0 GGADMN CCOc1ccc(OCC)c(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282306079 1435842495 /nfs/dbraw/zinc/84/24/95/1435842495.db2.gz GOJTXHPGTOFLBB-KRWDZBQOSA-N 0 1 391.512 3.060 20 0 GGADMN Cc1cc(C)n(-c2cccc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)c2)n1 ZINC000282308743 1435842597 /nfs/dbraw/zinc/84/25/97/1435842597.db2.gz GUZMIJPCMXGJJB-IBGZPJMESA-N 0 1 397.523 3.065 20 0 GGADMN Cc1cc([C@@H](C)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nn1C ZINC000282320603 1435843017 /nfs/dbraw/zinc/84/30/17/1435843017.db2.gz UILSFBIQMVGPJG-DNVCBOLYSA-N 0 1 396.457 3.471 20 0 GGADMN Fc1ccc(-n2cc(CNC3CCN(c4nccs4)CC3)nn2)c(Cl)c1 ZINC000282329847 1435843297 /nfs/dbraw/zinc/84/32/97/1435843297.db2.gz UIBKILFUMGWFHZ-UHFFFAOYSA-N 0 1 392.891 3.275 20 0 GGADMN O=C(Cc1n[nH]c2ccccc21)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000282365886 1435844677 /nfs/dbraw/zinc/84/46/77/1435844677.db2.gz DPSXKMGDYPZYDP-UHFFFAOYSA-N 0 1 388.830 3.373 20 0 GGADMN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282367422 1435844698 /nfs/dbraw/zinc/84/46/98/1435844698.db2.gz BTBHWYAYWXUKLX-GOSISDBHSA-N 0 1 396.491 3.450 20 0 GGADMN Fc1ccc(-n2cc(CNC3CCN(c4nccs4)CC3)nn2)cc1Cl ZINC000282372648 1435844860 /nfs/dbraw/zinc/84/48/60/1435844860.db2.gz WXQPSEUXCNROLC-UHFFFAOYSA-N 0 1 392.891 3.275 20 0 GGADMN O=C(Nc1cc(-c2ccccc2)ns1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282379074 1435845172 /nfs/dbraw/zinc/84/51/72/1435845172.db2.gz APJYKGUPTYQZIM-MRXNPFEDSA-N 0 1 386.521 3.386 20 0 GGADMN CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000282384982 1435845273 /nfs/dbraw/zinc/84/52/73/1435845273.db2.gz DCJVWYKGAZYNDN-ZWKOTPCHSA-N 0 1 375.513 3.440 20 0 GGADMN CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282409925 1435846352 /nfs/dbraw/zinc/84/63/52/1435846352.db2.gz DCJVWYKGAZYNDN-MSOLQXFVSA-N 0 1 375.513 3.440 20 0 GGADMN Cc1cc(C)n(-c2cccc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)c2)n1 ZINC000282420981 1435846599 /nfs/dbraw/zinc/84/65/99/1435846599.db2.gz GUZMIJPCMXGJJB-LJQANCHMSA-N 0 1 397.523 3.065 20 0 GGADMN Cc1ccnc(-c2cccc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)c2)n1 ZINC000282430707 1435846914 /nfs/dbraw/zinc/84/69/14/1435846914.db2.gz HRFXUTBTGKMOKC-GOSISDBHSA-N 0 1 395.507 3.028 20 0 GGADMN COCCn1cc(CN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)cn1 ZINC000282442397 1435847303 /nfs/dbraw/zinc/84/73/03/1435847303.db2.gz DZGXISHYURQRIX-RTBURBONSA-N 0 1 386.496 3.330 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](NCc2nc(-c3ccco3)no2)C(C)(C)C1 ZINC000282457620 1435847930 /nfs/dbraw/zinc/84/79/30/1435847930.db2.gz JJXDCBNJIJUUIF-AWEZNQCLSA-N 0 1 376.457 3.455 20 0 GGADMN C[C@](O)(CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)C(F)(F)F ZINC000282477015 1435848730 /nfs/dbraw/zinc/84/87/30/1435848730.db2.gz LFNWYWZCEHOCRV-ZDUSSCGKSA-N 0 1 387.320 3.182 20 0 GGADMN O=S(=O)(C1CCN(Cc2cc(Cl)cc3cccnc32)CC1)N1CCCC1 ZINC000282480578 1435848833 /nfs/dbraw/zinc/84/88/33/1435848833.db2.gz HAJMTUVIWNTIOF-UHFFFAOYSA-N 0 1 393.940 3.278 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CN2CCC[C@H](C(=O)NCC3CC3)C2)s1 ZINC000282489296 1435849033 /nfs/dbraw/zinc/84/90/33/1435849033.db2.gz MXHZOHYPIFYXDT-AWEZNQCLSA-N 0 1 394.541 3.228 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)s1 ZINC000282489316 1435849056 /nfs/dbraw/zinc/84/90/56/1435849056.db2.gz MXHZOHYPIFYXDT-CQSZACIVSA-N 0 1 394.541 3.228 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](NCc2nnc(-c3ccco3)o2)C(C)(C)C1 ZINC000282518760 1435849944 /nfs/dbraw/zinc/84/99/44/1435849944.db2.gz PJIGEUCUMWWIFK-AWEZNQCLSA-N 0 1 376.457 3.455 20 0 GGADMN O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282528934 1435850275 /nfs/dbraw/zinc/85/02/75/1435850275.db2.gz ZNMLVALHMHBUQK-SNRMKQJTSA-N 0 1 396.453 3.380 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cnn(-c3ccccc3OC)c2C)n[nH]1 ZINC000282530620 1435850401 /nfs/dbraw/zinc/85/04/01/1435850401.db2.gz YUDGWNWNZGWYMD-CHWSQXEVSA-N 0 1 382.468 3.312 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cnn(-c3ccccc3OC)c2C)n[nH]1 ZINC000282530658 1435850423 /nfs/dbraw/zinc/85/04/23/1435850423.db2.gz YUDGWNWNZGWYMD-QWHCGFSZSA-N 0 1 382.468 3.312 20 0 GGADMN CC(C)(C)OC(=O)N=c1[nH]cc(CN(CCC(N)=O)Cc2ccccc2)s1 ZINC000282545309 1435851067 /nfs/dbraw/zinc/85/10/67/1435851067.db2.gz RHRJNJFNXJTCLY-UHFFFAOYSA-N 0 1 390.509 3.368 20 0 GGADMN CC(C)[C@H](CNC(=O)CC(C)(C)CC(=O)c1ccccc1)N1CCN(C)CC1 ZINC000282557366 1435851445 /nfs/dbraw/zinc/85/14/45/1435851445.db2.gz ZTJHKPGPGQNLSD-FQEVSTJZSA-N 0 1 387.568 3.064 20 0 GGADMN COCCCn1nccc1CNCc1cccc(NC(=O)c2ccccc2)c1 ZINC000282584748 1435852657 /nfs/dbraw/zinc/85/26/57/1435852657.db2.gz GKPCTFUYQVVPEL-UHFFFAOYSA-N 0 1 378.476 3.462 20 0 GGADMN CN(Cc1ccccc1NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000282629009 1435854241 /nfs/dbraw/zinc/85/42/41/1435854241.db2.gz YMQFYXBWSCODLU-GOSISDBHSA-N 0 1 393.553 3.102 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000282665214 1435855646 /nfs/dbraw/zinc/85/56/46/1435855646.db2.gz IMVLTPCYWGSVLF-WOJBJXKFSA-N 0 1 380.492 3.102 20 0 GGADMN CCN(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000282665214 1435855647 /nfs/dbraw/zinc/85/56/47/1435855647.db2.gz IMVLTPCYWGSVLF-WOJBJXKFSA-N 0 1 380.492 3.102 20 0 GGADMN COc1ccc2nc(SCc3noc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000282676060 1435856133 /nfs/dbraw/zinc/85/61/33/1435856133.db2.gz WALLPSBCBXAAEO-UHFFFAOYSA-N 0 1 391.453 3.272 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2CCOC2=O)cc1 ZINC000282683313 1435856377 /nfs/dbraw/zinc/85/63/77/1435856377.db2.gz OTJVRDZKMNRNRX-UHFFFAOYSA-N 0 1 377.448 3.131 20 0 GGADMN CC(C)Oc1cc(F)ccc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282698504 1435856893 /nfs/dbraw/zinc/85/68/93/1435856893.db2.gz SNBYPLLJWFYCLY-MRXNPFEDSA-N 0 1 379.476 3.189 20 0 GGADMN Cc1ccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c(-c2cnn(C)c2)c1 ZINC000282710909 1435857344 /nfs/dbraw/zinc/85/73/44/1435857344.db2.gz BDVONWSCLUIORK-OAQYLSRUSA-N 0 1 378.476 3.269 20 0 GGADMN Cc1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)c(-c2cnn(C)c2)c1 ZINC000282710904 1435857360 /nfs/dbraw/zinc/85/73/60/1435857360.db2.gz BDVONWSCLUIORK-NRFANRHFSA-N 0 1 378.476 3.269 20 0 GGADMN CC1(C)CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000282729623 1435858189 /nfs/dbraw/zinc/85/81/89/1435858189.db2.gz ZPXYFPRSURBFFF-YLGBZRSBSA-N 0 1 399.516 3.434 20 0 GGADMN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282729952 1435858219 /nfs/dbraw/zinc/85/82/19/1435858219.db2.gz DLZWFKCSUUSJPQ-HNNXBMFYSA-N 0 1 395.290 3.054 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000282744846 1435858723 /nfs/dbraw/zinc/85/87/23/1435858723.db2.gz NMXQWQAQTWRFDE-ZDUSSCGKSA-N 0 1 397.458 3.283 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000282749309 1435858961 /nfs/dbraw/zinc/85/89/61/1435858961.db2.gz GUNSNODKQPREEH-UHFFFAOYSA-N 0 1 385.512 3.373 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282752187 1435859125 /nfs/dbraw/zinc/85/91/25/1435859125.db2.gz HFHTXCPRRHFBCM-HNNXBMFYSA-N 0 1 395.290 3.054 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282752193 1435859131 /nfs/dbraw/zinc/85/91/31/1435859131.db2.gz HFHTXCPRRHFBCM-OAHLLOKOSA-N 0 1 395.290 3.054 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccccc1CN1CCCC1=O ZINC000282752336 1435859136 /nfs/dbraw/zinc/85/91/36/1435859136.db2.gz VFERWAKMMIRHHC-UHFFFAOYSA-N 0 1 389.503 3.296 20 0 GGADMN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cccc3[nH]c(C)nc32)sc1C ZINC000282781591 1435860101 /nfs/dbraw/zinc/86/01/01/1435860101.db2.gz MSFPOJFJPRGKKK-AWEZNQCLSA-N 0 1 384.461 3.400 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2c(C)nn(-c3ccccn3)c2C)cc1 ZINC000282780133 1435860139 /nfs/dbraw/zinc/86/01/39/1435860139.db2.gz KQADTVUYIHMHAE-UHFFFAOYSA-N 0 1 394.475 3.068 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(=O)c1ccccn1 ZINC000282801469 1435860853 /nfs/dbraw/zinc/86/08/53/1435860853.db2.gz MUHQKWIUMJXGTC-OAQYLSRUSA-N 0 1 379.504 3.461 20 0 GGADMN CC(=O)N1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC12CCCCC2 ZINC000282842552 1435862588 /nfs/dbraw/zinc/86/25/88/1435862588.db2.gz RVAJRXJWIMJCQX-UHFFFAOYSA-N 0 1 381.524 3.251 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)NCC1([S@](C)=O)CC1)C1CCCCC1 ZINC000282848175 1435862842 /nfs/dbraw/zinc/86/28/42/1435862842.db2.gz WSIQRCHLRKDQNO-SANMLTNESA-N 0 1 377.554 3.484 20 0 GGADMN CC(C)(C)n1ncnc1CNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000282861090 1435863534 /nfs/dbraw/zinc/86/35/34/1435863534.db2.gz URFZKWDULUGOGQ-UHFFFAOYSA-N 0 1 375.904 3.081 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000282867997 1435863711 /nfs/dbraw/zinc/86/37/11/1435863711.db2.gz VXBZTSOREPCVIH-IAGOWNOFSA-N 0 1 377.554 3.223 20 0 GGADMN CSc1ccc([C@H](C)NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000282867994 1435863736 /nfs/dbraw/zinc/86/37/36/1435863736.db2.gz VXBZTSOREPCVIH-DLBZAZTESA-N 0 1 377.554 3.223 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(Oc2ncccc2F)CC1 ZINC000282883721 1435864549 /nfs/dbraw/zinc/86/45/49/1435864549.db2.gz WZKCOQVWURJBDD-UHFFFAOYSA-N 0 1 381.455 3.462 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000282897221 1435865028 /nfs/dbraw/zinc/86/50/28/1435865028.db2.gz WOLZKOJEGWBXPK-GFCCVEGCSA-N 0 1 395.488 3.089 20 0 GGADMN CCCc1csc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC000282907404 1435865631 /nfs/dbraw/zinc/86/56/31/1435865631.db2.gz ZLPVEARCUQAMTF-HNNXBMFYSA-N 0 1 394.928 3.107 20 0 GGADMN CC[C@@](O)(C(=O)NC1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1 ZINC000282909735 1435865687 /nfs/dbraw/zinc/86/56/87/1435865687.db2.gz XHNBSFASPXZFFW-NRFANRHFSA-N 0 1 387.911 3.113 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000282924247 1435866249 /nfs/dbraw/zinc/86/62/49/1435866249.db2.gz SUYCBUIQEWWLBC-MRXNPFEDSA-N 0 1 377.554 3.223 20 0 GGADMN Cc1cc(=O)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1C1CC1 ZINC000282935277 1435866689 /nfs/dbraw/zinc/86/66/89/1435866689.db2.gz GDZSIDGKFNAKDO-INIZCTEOSA-N 0 1 385.533 3.195 20 0 GGADMN Cc1cc(=O)c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cn1C1CC1 ZINC000282935277 1435866690 /nfs/dbraw/zinc/86/66/90/1435866690.db2.gz GDZSIDGKFNAKDO-INIZCTEOSA-N 0 1 385.533 3.195 20 0 GGADMN CC(C)c1nnc2ccc(NC(=O)NC3CCN(Cc4ccccn4)CC3)cn21 ZINC000282941621 1435867014 /nfs/dbraw/zinc/86/70/14/1435867014.db2.gz XFGLVRAHNVAPBX-UHFFFAOYSA-N 0 1 393.495 3.034 20 0 GGADMN Cc1[nH]c(C=O)cc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000282954150 1435867462 /nfs/dbraw/zinc/86/74/62/1435867462.db2.gz FFXGCZYGSZURFR-UHFFFAOYSA-N 0 1 389.883 3.062 20 0 GGADMN Cc1cc(=O)c(C(=O)NCC2CCN(Cc3cccs3)CC2)cn1C1CC1 ZINC000282973302 1435868439 /nfs/dbraw/zinc/86/84/39/1435868439.db2.gz ITFJMCAEHYVEJJ-UHFFFAOYSA-N 0 1 385.533 3.195 20 0 GGADMN CC(C)c1nnc2ccc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cn21 ZINC000282980145 1435868727 /nfs/dbraw/zinc/86/87/27/1435868727.db2.gz ZQUZMMGAOSMZLW-AWEZNQCLSA-N 0 1 394.483 3.260 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CC[C@H](OC)C[C@H]2C)N2CCCC2)c1 ZINC000282993968 1435869437 /nfs/dbraw/zinc/86/94/37/1435869437.db2.gz LOBJTIZDPGYIJV-UXPWSPDFSA-N 0 1 375.513 3.041 20 0 GGADMN Cc1ccccc1CN1CCN(c2nnc(C3CCC3)n2C[C@H]2CCOC2)CC1 ZINC000283025964 1435870962 /nfs/dbraw/zinc/87/09/62/1435870962.db2.gz MPIIVBGWLSLCFG-LJQANCHMSA-N 0 1 395.551 3.213 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000283036732 1435871514 /nfs/dbraw/zinc/87/15/14/1435871514.db2.gz NFZGHLOWPRPPSD-UHFFFAOYSA-N 0 1 396.348 3.168 20 0 GGADMN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000283059722 1435872586 /nfs/dbraw/zinc/87/25/86/1435872586.db2.gz CFDYXYWZCFRNRW-HNNXBMFYSA-N 0 1 394.454 3.335 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnc(C4OCCO4)s3)[nH]c2c1 ZINC000283061332 1435872720 /nfs/dbraw/zinc/87/27/20/1435872720.db2.gz MQPJAMXZYAQQRQ-AWEZNQCLSA-N 0 1 384.461 3.351 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@@H](OC)C[C@@H]2C)N2CCCCC2)cc1 ZINC000283069194 1435872988 /nfs/dbraw/zinc/87/29/88/1435872988.db2.gz SQDSRHQSVGBWOE-WMQCIHAUSA-N 0 1 389.540 3.431 20 0 GGADMN Cc1csc(CCCC(=O)NCCCN2CCN(c3ccccc3)CC2)n1 ZINC000283093809 1435874145 /nfs/dbraw/zinc/87/41/45/1435874145.db2.gz WPQUOQBFQJHJES-UHFFFAOYSA-N 0 1 386.565 3.103 20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000283107684 1435874959 /nfs/dbraw/zinc/87/49/59/1435874959.db2.gz SFLXWONCKXTLDQ-NQERJWCQSA-N 0 1 398.507 3.191 20 0 GGADMN CCC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)c1cccc(C(F)(F)F)c1 ZINC000283131962 1435876101 /nfs/dbraw/zinc/87/61/01/1435876101.db2.gz RLWJOGSGDQVHJV-SJORKVTESA-N 0 1 396.413 3.133 20 0 GGADMN CCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)c1cccc(C(F)(F)F)c1 ZINC000283131960 1435876131 /nfs/dbraw/zinc/87/61/31/1435876131.db2.gz RLWJOGSGDQVHJV-IRXDYDNUSA-N 0 1 396.413 3.133 20 0 GGADMN COc1cccc([C@@H](C)N2CCN(c3nnc(C)n3C[C@H]3CCCCO3)CC2)c1 ZINC000283148895 1435876732 /nfs/dbraw/zinc/87/67/32/1435876732.db2.gz VAICNZRRSWPDTD-DYESRHJHSA-N 0 1 399.539 3.047 20 0 GGADMN CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(Cc3ccco3)CC2)C1 ZINC000283164475 1435877469 /nfs/dbraw/zinc/87/74/69/1435877469.db2.gz YOQLCKLGBNWFOI-UHFFFAOYSA-N 0 1 387.484 3.001 20 0 GGADMN C[C@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1nc(Cc2ccccc2)no1 ZINC000283203743 1435879157 /nfs/dbraw/zinc/87/91/57/1435879157.db2.gz RMTNBYMLXUGMDW-HKUYNNGSSA-N 0 1 390.487 3.473 20 0 GGADMN C[C@@H](NC(=O)CN1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217637 1435879748 /nfs/dbraw/zinc/87/97/48/1435879748.db2.gz SCUXVVQQOAKYOU-MJGOQNOKSA-N 0 1 398.576 3.307 20 0 GGADMN C[C@H](NC(=O)CN1CCC2(C[C@@H]2N(C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217630 1435879763 /nfs/dbraw/zinc/87/97/63/1435879763.db2.gz SCUXVVQQOAKYOU-HKUYNNGSSA-N 0 1 398.576 3.307 20 0 GGADMN C[C@@H](NC(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000283241343 1435880807 /nfs/dbraw/zinc/88/08/07/1435880807.db2.gz JJSBDLHLTUXKJU-MRXNPFEDSA-N 0 1 399.922 3.298 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1nnc(C(C)C)s1 ZINC000283339957 1435885075 /nfs/dbraw/zinc/88/50/75/1435885075.db2.gz HQTGAVASQJWFCE-MRXNPFEDSA-N 0 1 388.537 3.494 20 0 GGADMN COc1ccc(C2(CNC(=O)c3cccc4nc(C)[nH]c43)CCOCC2)cc1 ZINC000283377589 1435886867 /nfs/dbraw/zinc/88/68/67/1435886867.db2.gz FLCBANAUSMRMPR-UHFFFAOYSA-N 0 1 379.460 3.358 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c2[nH]1 ZINC000283392640 1435887606 /nfs/dbraw/zinc/88/76/06/1435887606.db2.gz GPYAWPABKXSUJA-VXGBXAGGSA-N 0 1 385.493 3.189 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000283406670 1435888509 /nfs/dbraw/zinc/88/85/09/1435888509.db2.gz QRLGIYHPDNDZHB-IFXJQAMLSA-N 0 1 395.956 3.202 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc([C@H](C)O)s1 ZINC000283409175 1435888566 /nfs/dbraw/zinc/88/85/66/1435888566.db2.gz LNMNMVJYLNBNGU-HOCLYGCPSA-N 0 1 389.521 3.029 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)[nH]1 ZINC000283436446 1435889775 /nfs/dbraw/zinc/88/97/75/1435889775.db2.gz JPKAUYHWHHYDTI-UHFFFAOYSA-N 0 1 378.480 3.056 20 0 GGADMN CCOCCCNC(=O)c1cccc(NC(=O)c2cccc3nc(C)[nH]c32)c1 ZINC000283480902 1435891786 /nfs/dbraw/zinc/89/17/86/1435891786.db2.gz NHBBTSIQOWIXAA-UHFFFAOYSA-N 0 1 380.448 3.280 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283479864 1435891849 /nfs/dbraw/zinc/89/18/49/1435891849.db2.gz JABVEKIJHTYMMY-INIZCTEOSA-N 0 1 385.895 3.373 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)C2)n[nH]1 ZINC000283491981 1435892377 /nfs/dbraw/zinc/89/23/77/1435892377.db2.gz CZJMOZBOUSOJGJ-OAHLLOKOSA-N 0 1 384.480 3.240 20 0 GGADMN Cc1cc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)C2)n[nH]1 ZINC000283491974 1435892390 /nfs/dbraw/zinc/89/23/90/1435892390.db2.gz CZJMOZBOUSOJGJ-HNNXBMFYSA-N 0 1 384.480 3.240 20 0 GGADMN Cc1ccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2C[C@H]2CCOC2)s1 ZINC000283500381 1435892793 /nfs/dbraw/zinc/89/27/93/1435892793.db2.gz VFLISCKSPOCBNG-IAGOWNOFSA-N 0 1 387.553 3.026 20 0 GGADMN Cc1nc2cccc(C(=O)NCC3(c4ccc5c(c4)OCO5)CCOCC3)c2[nH]1 ZINC000283513526 1435893441 /nfs/dbraw/zinc/89/34/41/1435893441.db2.gz PZWVZPDGGRAUQW-UHFFFAOYSA-N 0 1 393.443 3.078 20 0 GGADMN CC[C@@]1(c2ccc(NC(=O)c3cccc4nc(C)[nH]c43)cc2)CCC(=O)NC1=O ZINC000283525050 1435893829 /nfs/dbraw/zinc/89/38/29/1435893829.db2.gz QWQNWPTZMNFZKX-QFIPXVFZSA-N 0 1 390.443 3.208 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)[nH]1 ZINC000283553305 1435895092 /nfs/dbraw/zinc/89/50/92/1435895092.db2.gz UCZULOIQCRPPMV-OAHLLOKOSA-N 0 1 378.480 3.209 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C)c2ccccc2SC)CC1 ZINC000283576064 1435896316 /nfs/dbraw/zinc/89/63/16/1435896316.db2.gz QUHOFQBKRIJYAI-CABCVRRESA-N 0 1 378.538 3.249 20 0 GGADMN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000283580959 1435896534 /nfs/dbraw/zinc/89/65/34/1435896534.db2.gz WKYFHGJZMCEFAZ-UHFFFAOYSA-N 0 1 378.432 3.368 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)[nH]1 ZINC000283582546 1435896562 /nfs/dbraw/zinc/89/65/62/1435896562.db2.gz WPDLGKRTDWQJFV-UHFFFAOYSA-N 0 1 395.438 3.437 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)[nH]1 ZINC000283594174 1435897073 /nfs/dbraw/zinc/89/70/73/1435897073.db2.gz XQISNXNKIOKACS-HNNXBMFYSA-N 0 1 377.448 3.066 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(N)=O ZINC000283603784 1435897439 /nfs/dbraw/zinc/89/74/39/1435897439.db2.gz MTMWHLDMHXWRCZ-WMZOPIPTSA-N 0 1 397.544 3.047 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(N)=O ZINC000283603773 1435897450 /nfs/dbraw/zinc/89/74/50/1435897450.db2.gz MTMWHLDMHXWRCZ-FUHWJXTLSA-N 0 1 397.544 3.047 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(C)nc21 ZINC000283619975 1435898188 /nfs/dbraw/zinc/89/81/88/1435898188.db2.gz AQRIPNFNIOILST-UHFFFAOYSA-N 0 1 393.491 3.274 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283636916 1435898981 /nfs/dbraw/zinc/89/89/81/1435898981.db2.gz SMEYJHHKIBGNPO-QGZVFWFLSA-N 0 1 397.544 3.441 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)C2)n[nH]1 ZINC000283651455 1435899370 /nfs/dbraw/zinc/89/93/70/1435899370.db2.gz OINLHYAHIUWSJY-LSBZLQRGSA-N 0 1 390.434 3.416 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000283654696 1435899639 /nfs/dbraw/zinc/89/96/39/1435899639.db2.gz DGQDYELMUMNULO-ZDUSSCGKSA-N 0 1 396.413 3.134 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@@](C)(O)CCc3ccccc3)C1)CCCC2 ZINC000283752879 1435916344 /nfs/dbraw/zinc/91/63/44/1435916344.db2.gz IXTATZILTINBBP-CVDCTZTESA-N 0 1 381.520 3.228 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)CC[N@@H+]1Cc1ccccc1 ZINC000283751972 1435916578 /nfs/dbraw/zinc/91/65/78/1435916578.db2.gz OTAMNBIYOFDNHT-MAUKXSAKSA-N 0 1 395.532 3.143 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)CC[N@H+]1Cc1ccccc1 ZINC000283751972 1435916593 /nfs/dbraw/zinc/91/65/93/1435916593.db2.gz OTAMNBIYOFDNHT-MAUKXSAKSA-N 0 1 395.532 3.143 20 0 GGADMN C[C@@]12CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)C[C@@H]1C2(Cl)Cl ZINC000283808485 1435928022 /nfs/dbraw/zinc/92/80/22/1435928022.db2.gz BHLQOTYYUBBQAA-FUHWJXTLSA-N 0 1 397.350 3.271 20 0 GGADMN OC[C@@H](C[C@@H](O)c1ccccc1)NCc1cnn(Cc2ccccc2)c1Cl 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ASQKVUQRJUSERI-MRXNPFEDSA-N 0 1 380.554 3.360 20 0 GGADMN COc1ccc(CN(CC2CCC2)C[C@@H]2CCCS(=O)(=O)C2)c(OC)c1 ZINC000283942961 1435958465 /nfs/dbraw/zinc/95/84/65/1435958465.db2.gz AGBXREWMDNTMCD-KRWDZBQOSA-N 0 1 381.538 3.131 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)CN2CCC3(CCOCC3)CC2)cc1OC ZINC000284005255 1435971463 /nfs/dbraw/zinc/97/14/63/1435971463.db2.gz DSGWUHZMNWKHJI-QGZVFWFLSA-N 0 1 390.524 3.164 20 0 GGADMN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3cncn3c2)c1C ZINC000284095693 1435989913 /nfs/dbraw/zinc/98/99/13/1435989913.db2.gz UCDYFOUFOGNLMV-SFHVURJKSA-N 0 1 380.473 3.105 20 0 GGADMN CCOc1cc(CN[C@@H](c2nnc[nH]2)c2cccnc2)ccc1OC(F)F ZINC000284153647 1436000110 /nfs/dbraw/zinc/00/01/10/1436000110.db2.gz PMIHBAKMSIJDLV-MRXNPFEDSA-N 0 1 375.379 3.079 20 0 GGADMN CCOc1cc(CN[C@H](c2nnc[nH]2)c2cccnc2)ccc1OC(F)F ZINC000284153645 1436000195 /nfs/dbraw/zinc/00/01/95/1436000195.db2.gz PMIHBAKMSIJDLV-INIZCTEOSA-N 0 1 375.379 3.079 20 0 GGADMN 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ZINC000284278337 1436009372 /nfs/dbraw/zinc/00/93/72/1436009372.db2.gz XWINFTSQPOYNJL-LJQANCHMSA-N 0 1 399.556 3.462 20 0 GGADMN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000284276038 1436009408 /nfs/dbraw/zinc/00/94/08/1436009408.db2.gz HDWBWNBUTIXDJK-LIRRHRJNSA-N 0 1 394.512 3.191 20 0 GGADMN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000284294922 1436010639 /nfs/dbraw/zinc/01/06/39/1436010639.db2.gz IIRLCPFSTAQOSU-FOIQADDNSA-N 0 1 376.522 3.052 20 0 GGADMN CCC[C@H](NC(=O)C(=O)NCc1cn[nH]c1C)c1cccc(C(F)(F)F)c1 ZINC000284302663 1436011190 /nfs/dbraw/zinc/01/11/90/1436011190.db2.gz VEIWYTKHKKSPGW-HNNXBMFYSA-N 0 1 382.386 3.011 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cnc(OC)c(Cl)c3)C2=O)cc1 ZINC000284305820 1436011897 /nfs/dbraw/zinc/01/18/97/1436011897.db2.gz KZQDKEYUERXXOW-UGSOOPFHSA-N 0 1 389.883 3.204 20 0 GGADMN CCCCOc1ccc([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000284339799 1436014381 /nfs/dbraw/zinc/01/43/81/1436014381.db2.gz MSUWOKAFMBKUSN-KRWDZBQOSA-N 0 1 391.533 3.482 20 0 GGADMN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)NCc1cn[nH]c1C ZINC000284367678 1436016363 /nfs/dbraw/zinc/01/63/63/1436016363.db2.gz ZUXCJMCQZMMQMY-SFHVURJKSA-N 0 1 386.496 3.027 20 0 GGADMN COC(=O)c1cccc(NC2CCN(C(=O)c3cccc4[nH]c(C)nc43)CC2)c1 ZINC000284381372 1436017210 /nfs/dbraw/zinc/01/72/10/1436017210.db2.gz MATGOCQKWKCUTI-UHFFFAOYSA-N 0 1 392.459 3.375 20 0 GGADMN CSc1nnc(CCCNC(=O)c2ccc3cncn3c2)n1C1CCCC1 ZINC000284434136 1436021402 /nfs/dbraw/zinc/02/14/02/1436021402.db2.gz GNIIZFZYQKIAGR-UHFFFAOYSA-N 0 1 384.509 3.125 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284435238 1436021457 /nfs/dbraw/zinc/02/14/57/1436021457.db2.gz YXHVUEVJJIQURY-HNNXBMFYSA-N 0 1 386.496 3.428 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284435241 1436021490 /nfs/dbraw/zinc/02/14/90/1436021490.db2.gz YXHVUEVJJIQURY-OAHLLOKOSA-N 0 1 386.496 3.428 20 0 GGADMN NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000284453801 1436023065 /nfs/dbraw/zinc/02/30/65/1436023065.db2.gz DBEXHLVUAXSNBG-XJKSGUPXSA-N 0 1 388.842 3.044 20 0 GGADMN COc1ncc([C@@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1Cl ZINC000284459792 1436023234 /nfs/dbraw/zinc/02/32/34/1436023234.db2.gz TVYVKEWHFBDAHJ-CYBMUJFWSA-N 0 1 377.872 3.061 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2cncn2c1 ZINC000284466560 1436023910 /nfs/dbraw/zinc/02/39/10/1436023910.db2.gz WLFBLNKGDXIPDY-UHFFFAOYSA-N 0 1 390.365 3.442 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@H](C)c2cnc(OC)c(Cl)c2)c1 ZINC000284477670 1436024586 /nfs/dbraw/zinc/02/45/86/1436024586.db2.gz URGKBNJFTZGBQY-CYBMUJFWSA-N 0 1 377.872 3.109 20 0 GGADMN CCOc1cc(NC(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)ccc1C ZINC000284478687 1436024752 /nfs/dbraw/zinc/02/47/52/1436024752.db2.gz ASDTXHFOIWLUEN-CVEARBPZSA-N 0 1 385.468 3.383 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000284475274 1436024773 /nfs/dbraw/zinc/02/47/73/1436024773.db2.gz AAPCAQNIDFKSOZ-RISCZKNCSA-N 0 1 379.823 3.469 20 0 GGADMN CCN(CC1CCN(C(=O)c2ccc3cncn3c2)CC1)C(=O)OC(C)(C)C ZINC000284481118 1436024978 /nfs/dbraw/zinc/02/49/78/1436024978.db2.gz XXMVJHDMCGLIDK-UHFFFAOYSA-N 0 1 386.496 3.444 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cncc(-c3ccc(C)cc3)c2)C1 ZINC000284490328 1436025779 /nfs/dbraw/zinc/02/57/79/1436025779.db2.gz BTPCBEQYVNGHSM-MOPGFXCFSA-N 0 1 377.448 3.086 20 0 GGADMN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC(=O)c2ccccc21 ZINC000284514469 1436027517 /nfs/dbraw/zinc/02/75/17/1436027517.db2.gz BDLZSKLILXNWBU-KNQAVFIVSA-N 0 1 392.499 3.154 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2ccc(Oc3ccccc3)o2)CCC(=O)N1C ZINC000284530989 1436028309 /nfs/dbraw/zinc/02/83/09/1436028309.db2.gz MLPYSQFTHSDNSA-DYESRHJHSA-N 0 1 380.448 3.257 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cccc3ncccc32)CCCN1C1CC1 ZINC000284529110 1436028481 /nfs/dbraw/zinc/02/84/81/1436028481.db2.gz GHBRORDCCVTPBO-KSFYIVLOSA-N 0 1 389.503 3.314 20 0 GGADMN COc1ccccc1-c1nc(CN2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)cs1 ZINC000284529506 1436028506 /nfs/dbraw/zinc/02/85/06/1436028506.db2.gz GLSUASKXCHXFBT-ZBFHGGJFSA-N 0 1 385.493 3.207 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)cc1 ZINC000284535080 1436028609 /nfs/dbraw/zinc/02/86/09/1436028609.db2.gz GLQXNMJKQSOOMM-CVEARBPZSA-N 0 1 398.467 3.025 20 0 GGADMN CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1c1nc(C2CC2)no1 ZINC000284541592 1436029175 /nfs/dbraw/zinc/02/91/75/1436029175.db2.gz GBFOBZSSUOZLMA-LBPRGKRZSA-N 0 1 397.262 3.088 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[nH]1 ZINC000284545101 1436029423 /nfs/dbraw/zinc/02/94/23/1436029423.db2.gz XLODMMRLRNTFRC-CABCVRRESA-N 0 1 384.480 3.485 20 0 GGADMN COc1cc2c(cc1F)nccc2N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284545474 1436029436 /nfs/dbraw/zinc/02/94/36/1436029436.db2.gz NKEPWQNKSZVNAO-QGZVFWFLSA-N 0 1 383.427 3.136 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000284565398 1436030632 /nfs/dbraw/zinc/03/06/32/1436030632.db2.gz JNZHXUQJIVMSDD-CABCVRRESA-N 0 1 382.386 3.210 20 0 GGADMN Cc1ccc(-c2nc(CN[C@@H]3CCC(=O)N(C)[C@H]3c3ccnn3C)cs2)cc1 ZINC000284564783 1436030640 /nfs/dbraw/zinc/03/06/40/1436030640.db2.gz OPEAGJSAZAGDCU-YLJYHZDGSA-N 0 1 395.532 3.304 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2ncc(C(C)(C)C)s2)CCC(=O)N1C1CC1 ZINC000284569390 1436031072 /nfs/dbraw/zinc/03/10/72/1436031072.db2.gz OUTJVNADPAICAR-AUUYWEPGSA-N 0 1 387.553 3.158 20 0 GGADMN CCCCN(CC)C(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000284591255 1436032762 /nfs/dbraw/zinc/03/27/62/1436032762.db2.gz GBQOEXQBSNBUEW-UHFFFAOYSA-N 0 1 379.932 3.069 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2csc(-c3cccs3)n2)CCC(=O)N1C ZINC000284612422 1436034473 /nfs/dbraw/zinc/03/44/73/1436034473.db2.gz RVZODWYSKZSUGS-CXAGYDPISA-N 0 1 387.534 3.057 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)NC[C@H](C)c2ccc(F)cc2)C1 ZINC000284615406 1436034688 /nfs/dbraw/zinc/03/46/88/1436034688.db2.gz BKMXKRQCPZLEAL-VUCTXSBTSA-N 0 1 387.459 3.096 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC=C(c2ccccc2)C1 ZINC000284620726 1436034931 /nfs/dbraw/zinc/03/49/31/1436034931.db2.gz PEBXOIIAVSVRRD-UHFFFAOYSA-N 0 1 378.476 3.168 20 0 GGADMN O=C(NC[C@H]1CCCCN1C(=O)c1ccc2cncn2c1)Nc1ccccc1 ZINC000284619539 1436035019 /nfs/dbraw/zinc/03/50/19/1436035019.db2.gz VJYMXTSVXHICOC-LJQANCHMSA-N 0 1 377.448 3.151 20 0 GGADMN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000284622354 1436035215 /nfs/dbraw/zinc/03/52/15/1436035215.db2.gz BBQDFAAQGGMOMM-FGTMMUONSA-N 0 1 391.899 3.448 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000284632955 1436036226 /nfs/dbraw/zinc/03/62/26/1436036226.db2.gz NLHPCCAMGJVELC-CJNGLKHVSA-N 0 1 386.887 3.184 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000284642897 1436036727 /nfs/dbraw/zinc/03/67/27/1436036727.db2.gz MSGGPDHXFKNQFF-MFKMUULPSA-N 0 1 387.337 3.265 20 0 GGADMN CC(=O)N(c1nc(CN2CCN(C)[C@H](Cc3ccccc3)C2)cs1)C1CC1 ZINC000284647198 1436036988 /nfs/dbraw/zinc/03/69/88/1436036988.db2.gz DYSSZERPGBIYOM-HXUWFJFHSA-N 0 1 384.549 3.017 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284670807 1436039122 /nfs/dbraw/zinc/03/91/22/1436039122.db2.gz GJLGFPHSOGTJMQ-GOSISDBHSA-N 0 1 387.911 3.146 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000284678073 1436039553 /nfs/dbraw/zinc/03/95/53/1436039553.db2.gz WGRKGNVNPCLYAU-LYRGGWFBSA-N 0 1 396.413 3.299 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)Cc2ccc(Cl)s2)CCCN1C1CC1 ZINC000284707015 1436041870 /nfs/dbraw/zinc/04/18/70/1436041870.db2.gz ZMNSWPVSOPLNCW-ORAYPTAESA-N 0 1 392.956 3.409 20 0 GGADMN CCOc1ccc([C@H](COC)NC[C@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000284721878 1436043146 /nfs/dbraw/zinc/04/31/46/1436043146.db2.gz JNCXMOYPUDXEDH-UGKGYDQZSA-N 0 1 387.476 3.005 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000284726575 1436043584 /nfs/dbraw/zinc/04/35/84/1436043584.db2.gz CDHJPCKTQKRWCP-AEFFLSMTSA-N 0 1 394.475 3.367 20 0 GGADMN CC(=O)c1c(C)cc(C)c(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1C ZINC000284734669 1436044699 /nfs/dbraw/zinc/04/46/99/1436044699.db2.gz WAEYOHKQNMZSAU-QFIPXVFZSA-N 0 1 384.524 3.470 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN2CCC3(CCOCC3)CC2)cc1OC ZINC000284733503 1436044761 /nfs/dbraw/zinc/04/47/61/1436044761.db2.gz KFBLIOAQGICCDU-KRWDZBQOSA-N 0 1 390.524 3.082 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H](c2nccn2C)C2CCOCC2)s1 ZINC000284751896 1436046644 /nfs/dbraw/zinc/04/66/44/1436046644.db2.gz FYCQNKSPHGVOQG-RHSMWYFYSA-N 0 1 378.542 3.192 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C)[C@H](Cc3ccccc3)C2)cc1 ZINC000284765435 1436047826 /nfs/dbraw/zinc/04/78/26/1436047826.db2.gz MPDJXYRRNCKLSM-HTAPYJJXSA-N 0 1 379.504 3.075 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccnc2Cl)cc1 ZINC000284778908 1436048881 /nfs/dbraw/zinc/04/88/81/1436048881.db2.gz NRMHTLOFJVHNNV-OLZOCXBDSA-N 0 1 395.912 3.206 20 0 GGADMN COc1ccc(C)cc1NC(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284778252 1436049082 /nfs/dbraw/zinc/04/90/82/1436049082.db2.gz QGQAOEIZTGXDRU-HRAATJIYSA-N 0 1 397.523 3.474 20 0 GGADMN CCCn1ccc2cc(NC(=O)N3C[C@H](OC)C[C@H]3c3n[nH]c(C)n3)ccc21 ZINC000284780758 1436049212 /nfs/dbraw/zinc/04/92/12/1436049212.db2.gz HZBBTGAAPVQRFG-AEFFLSMTSA-N 0 1 382.468 3.472 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(=O)OC)c(F)c2)cc1 ZINC000284779039 1436049257 /nfs/dbraw/zinc/04/92/57/1436049257.db2.gz NTMQDQRHIRBJGG-ZDUSSCGKSA-N 0 1 379.453 3.257 20 0 GGADMN Cn1ccc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)cc2c1=O ZINC000284782348 1436049554 /nfs/dbraw/zinc/04/95/54/1436049554.db2.gz GJALJPPLJRZMBB-GOSISDBHSA-N 0 1 380.448 3.090 20 0 GGADMN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000284798308 1436050692 /nfs/dbraw/zinc/05/06/92/1436050692.db2.gz MWLQZOSLOMBDQX-KZNAEPCWSA-N 0 1 391.899 3.448 20 0 GGADMN COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001139094607 1441419446 /nfs/dbraw/zinc/41/94/46/1441419446.db2.gz NMKISXDZEVFDPC-IBGZPJMESA-N 0 1 377.448 3.381 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826216180 1441427840 /nfs/dbraw/zinc/42/78/40/1441427840.db2.gz NIBPCRMUTMHYHD-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826216180 1441427843 /nfs/dbraw/zinc/42/78/43/1441427843.db2.gz NIBPCRMUTMHYHD-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826216180 1441427844 /nfs/dbraw/zinc/42/78/44/1441427844.db2.gz NIBPCRMUTMHYHD-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC000735628110 1441441562 /nfs/dbraw/zinc/44/15/62/1441441562.db2.gz QPQQDKAMKPCQJD-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000735628110 1441441566 /nfs/dbraw/zinc/44/15/66/1441441566.db2.gz QPQQDKAMKPCQJD-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000735628110 1441441568 /nfs/dbraw/zinc/44/15/68/1441441568.db2.gz QPQQDKAMKPCQJD-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN Cn1cc(C[NH2+]CCc2cc3ccccc3[nH]2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361549 1441455063 /nfs/dbraw/zinc/45/50/63/1441455063.db2.gz BYTXQICGDHOCTC-UHFFFAOYSA-N 0 1 398.474 3.081 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964959 1441460099 /nfs/dbraw/zinc/46/00/99/1441460099.db2.gz VDNQXHNGYWWYSL-GOSISDBHSA-N 0 1 398.417 3.311 20 0 GGADMN C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820683837 1441464307 /nfs/dbraw/zinc/46/43/07/1441464307.db2.gz HXOZGNWPXLUJFX-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820683837 1441464311 /nfs/dbraw/zinc/46/43/11/1441464311.db2.gz HXOZGNWPXLUJFX-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820683837 1441464313 /nfs/dbraw/zinc/46/43/13/1441464313.db2.gz HXOZGNWPXLUJFX-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825658891 1441466088 /nfs/dbraw/zinc/46/60/88/1441466088.db2.gz LHOUPUWGLIRZHW-LSDHHAIUSA-N 0 1 399.520 3.008 20 0 GGADMN Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826341343 1441469334 /nfs/dbraw/zinc/46/93/34/1441469334.db2.gz FDOTWUNZBFTDOR-VIFPVBQESA-N 0 1 392.822 3.158 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824104377 1441473284 /nfs/dbraw/zinc/47/32/84/1441473284.db2.gz QLFDJRBNZOPMBI-WMZOPIPTSA-N 0 1 398.511 3.233 20 0 GGADMN C[C@@H](Cc1ccsc1)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824463702 1441478169 /nfs/dbraw/zinc/47/81/69/1441478169.db2.gz BNQIQRFJSKOFLB-IGEOTXOUSA-N 0 1 384.509 3.234 20 0 GGADMN Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826290501 1441480361 /nfs/dbraw/zinc/48/03/61/1441480361.db2.gz ONHXSQQTJXKFPO-LIRRHRJNSA-N 0 1 394.454 3.160 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000824450696 1441493211 /nfs/dbraw/zinc/49/32/11/1441493211.db2.gz YEVFSWJJLSTJIC-SECBINFHSA-N 0 1 380.221 3.082 20 0 GGADMN CC(C)Oc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000824329780 1441503640 /nfs/dbraw/zinc/50/36/40/1441503640.db2.gz VPUXPTNRXCSSNQ-UHFFFAOYSA-N 0 1 393.495 3.125 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821818299 1441507331 /nfs/dbraw/zinc/50/73/31/1441507331.db2.gz OCUTTWIQLUEPGX-UHFFFAOYSA-N 0 1 379.464 3.487 20 0 GGADMN CCc1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1C ZINC000825767506 1441511415 /nfs/dbraw/zinc/51/14/15/1441511415.db2.gz LHUYXFFYZQQKNB-AWEZNQCLSA-N 0 1 388.479 3.075 20 0 GGADMN C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821607538 1441559541 /nfs/dbraw/zinc/55/95/41/1441559541.db2.gz SVTVEIMWTYZLJF-INIZCTEOSA-N 0 1 378.263 3.339 20 0 GGADMN COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCN2C2CC2)c1 ZINC000826215528 1441567612 /nfs/dbraw/zinc/56/76/12/1441567612.db2.gz RLKRKHSVJOPHRZ-PKOBYXMFSA-N 0 1 396.520 3.004 20 0 GGADMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820300651 1441574312 /nfs/dbraw/zinc/57/43/12/1441574312.db2.gz SYMDECXJBSVISH-GFCCVEGCSA-N 0 1 389.406 3.237 20 0 GGADMN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820300651 1441574315 /nfs/dbraw/zinc/57/43/15/1441574315.db2.gz SYMDECXJBSVISH-GFCCVEGCSA-N 0 1 389.406 3.237 20 0 GGADMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820300651 1441574318 /nfs/dbraw/zinc/57/43/18/1441574318.db2.gz SYMDECXJBSVISH-GFCCVEGCSA-N 0 1 389.406 3.237 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736446585 1441574759 /nfs/dbraw/zinc/57/47/59/1441574759.db2.gz JMBCVTBOJAHJRU-QFBILLFUSA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446585 1441574763 /nfs/dbraw/zinc/57/47/63/1441574763.db2.gz JMBCVTBOJAHJRU-QFBILLFUSA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446585 1441574766 /nfs/dbraw/zinc/57/47/66/1441574766.db2.gz JMBCVTBOJAHJRU-QFBILLFUSA-N 0 1 384.528 3.336 20 0 GGADMN C[C@@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000824999572 1441575655 /nfs/dbraw/zinc/57/56/55/1441575655.db2.gz HZMLVJDKQFHFPY-YJYMSZOUSA-N 0 1 394.454 3.246 20 0 GGADMN COc1cc2[nH]c(CCC[NH2+]Cc3ccc(-c4nn[n-]n4)s3)cc2c(OC)c1 ZINC000821724003 1441578783 /nfs/dbraw/zinc/57/87/83/1441578783.db2.gz NUKRMGXUSMOIBC-UHFFFAOYSA-N 0 1 398.492 3.149 20 0 GGADMN CCCC[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825267577 1441588588 /nfs/dbraw/zinc/58/85/88/1441588588.db2.gz KWPULVCDPKUVRB-UXHICEINSA-N 0 1 381.480 3.430 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001139095500 1441598757 /nfs/dbraw/zinc/59/87/57/1441598757.db2.gz XCZDXDAKGMNYDY-QAQDUYKDSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001139095500 1441598760 /nfs/dbraw/zinc/59/87/60/1441598760.db2.gz XCZDXDAKGMNYDY-QAQDUYKDSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001139095500 1441598762 /nfs/dbraw/zinc/59/87/62/1441598762.db2.gz XCZDXDAKGMNYDY-QAQDUYKDSA-N 0 1 386.500 3.134 20 0 GGADMN O=C(CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964769 1441602115 /nfs/dbraw/zinc/60/21/15/1441602115.db2.gz PANNOZYZOKRDIA-KRWDZBQOSA-N 0 1 382.855 3.296 20 0 GGADMN O=C(CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964769 1441602119 /nfs/dbraw/zinc/60/21/19/1441602119.db2.gz PANNOZYZOKRDIA-KRWDZBQOSA-N 0 1 382.855 3.296 20 0 GGADMN CC1CC[NH+](c2ccc(NCc3cnc4ccc(-c5nnn[n-]5)cn34)cc2)CC1 ZINC000820727988 1441602967 /nfs/dbraw/zinc/60/29/67/1441602967.db2.gz RGGOQZKRUDZSTD-UHFFFAOYSA-N 0 1 388.479 3.363 20 0 GGADMN CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000825308004 1441603979 /nfs/dbraw/zinc/60/39/79/1441603979.db2.gz STMGMNGRZMUTQZ-UHFFFAOYSA-N 0 1 394.479 3.034 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000825308004 1441603981 /nfs/dbraw/zinc/60/39/81/1441603981.db2.gz STMGMNGRZMUTQZ-UHFFFAOYSA-N 0 1 394.479 3.034 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000820198219 1441606058 /nfs/dbraw/zinc/60/60/58/1441606058.db2.gz SXOJCLXEPPJZEJ-AEFFLSMTSA-N 0 1 398.536 3.360 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000820198219 1441606061 /nfs/dbraw/zinc/60/60/61/1441606061.db2.gz SXOJCLXEPPJZEJ-AEFFLSMTSA-N 0 1 398.536 3.360 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000820198219 1441606063 /nfs/dbraw/zinc/60/60/63/1441606063.db2.gz SXOJCLXEPPJZEJ-AEFFLSMTSA-N 0 1 398.536 3.360 20 0 GGADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736245684 1441609805 /nfs/dbraw/zinc/60/98/05/1441609805.db2.gz UUFRNAQDPJFQDH-QWHCGFSZSA-N 0 1 376.892 3.359 20 0 GGADMN C[C@@H]1CCC[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736245684 1441609807 /nfs/dbraw/zinc/60/98/07/1441609807.db2.gz UUFRNAQDPJFQDH-QWHCGFSZSA-N 0 1 376.892 3.359 20 0 GGADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736245684 1441609809 /nfs/dbraw/zinc/60/98/09/1441609809.db2.gz UUFRNAQDPJFQDH-QWHCGFSZSA-N 0 1 376.892 3.359 20 0 GGADMN CCCCOc1ncccc1CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21 ZINC000821077364 1441627842 /nfs/dbraw/zinc/62/78/42/1441627842.db2.gz CGLFTLQOOUBNCJ-UHFFFAOYSA-N 0 1 375.436 3.023 20 0 GGADMN Cc1c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084293 1441634863 /nfs/dbraw/zinc/63/48/63/1441634863.db2.gz IEPXARQKWXNTFH-UHFFFAOYSA-N 0 1 397.527 3.295 20 0 GGADMN Fc1ccc2c(c1)[C@H](N1CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000822782798 1441660699 /nfs/dbraw/zinc/66/06/99/1441660699.db2.gz HFNPWLQIOXWZHC-OAQYLSRUSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@H](N1CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC1)CC2 ZINC000822782798 1441660702 /nfs/dbraw/zinc/66/07/02/1441660702.db2.gz HFNPWLQIOXWZHC-OAQYLSRUSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@H](N1CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC1)CC2 ZINC000822782798 1441660705 /nfs/dbraw/zinc/66/07/05/1441660705.db2.gz HFNPWLQIOXWZHC-OAQYLSRUSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@@H+]1CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000822782798 1441660706 /nfs/dbraw/zinc/66/07/06/1441660706.db2.gz HFNPWLQIOXWZHC-OAQYLSRUSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@H+]1CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000822782798 1441660710 /nfs/dbraw/zinc/66/07/10/1441660710.db2.gz HFNPWLQIOXWZHC-OAQYLSRUSA-N 0 1 392.482 3.201 20 0 GGADMN CC(C)C[N@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1F ZINC000824261546 1441663427 /nfs/dbraw/zinc/66/34/27/1441663427.db2.gz MCYYUUMXJQOVRZ-UHFFFAOYSA-N 0 1 379.443 3.312 20 0 GGADMN CC(C)C[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1F ZINC000824261546 1441663430 /nfs/dbraw/zinc/66/34/30/1441663430.db2.gz MCYYUUMXJQOVRZ-UHFFFAOYSA-N 0 1 379.443 3.312 20 0 GGADMN COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826220514 1441680536 /nfs/dbraw/zinc/68/05/36/1441680536.db2.gz QAGUDDAATSYFHQ-KGLIPLIRSA-N 0 1 385.443 3.380 20 0 GGADMN C[C@H]1C[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736236916 1441681368 /nfs/dbraw/zinc/68/13/68/1441681368.db2.gz UCCWZKTXXSWXBB-RDJZCZTQSA-N 0 1 380.471 3.495 20 0 GGADMN C[C@H]1C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736236916 1441681370 /nfs/dbraw/zinc/68/13/70/1441681370.db2.gz UCCWZKTXXSWXBB-RDJZCZTQSA-N 0 1 380.471 3.495 20 0 GGADMN C[C@H]1C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000736236916 1441681372 /nfs/dbraw/zinc/68/13/72/1441681372.db2.gz UCCWZKTXXSWXBB-RDJZCZTQSA-N 0 1 380.471 3.495 20 0 GGADMN Cc1cnn([C@@H]2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc43)C2)c1 ZINC000822195054 1441684134 /nfs/dbraw/zinc/68/41/34/1441684134.db2.gz FMNHIXJYPOKKOE-MRXNPFEDSA-N 0 1 388.479 3.378 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc2c(c1)CCC2 ZINC000820410332 1441690537 /nfs/dbraw/zinc/69/05/37/1441690537.db2.gz DQCMXWXHSWLBBO-OAHLLOKOSA-N 0 1 389.507 3.070 20 0 GGADMN C[N@H+]1CCC[C@H](CNCc2ccc(-c3nn[n-]n3)cc2F)[C@H]1c1cccs1 ZINC000821623805 1441693564 /nfs/dbraw/zinc/69/35/64/1441693564.db2.gz SVYJIFVIJJUBAB-QAPCUYQASA-N 0 1 386.500 3.240 20 0 GGADMN C[N@@H+]1CCC[C@H](CNCc2ccc(-c3nnn[n-]3)cc2F)[C@H]1c1cccs1 ZINC000821623805 1441693566 /nfs/dbraw/zinc/69/35/66/1441693566.db2.gz SVYJIFVIJJUBAB-QAPCUYQASA-N 0 1 386.500 3.240 20 0 GGADMN C[N@H+]1CCC[C@H](CNCc2ccc(-c3nnn[n-]3)cc2F)[C@H]1c1cccs1 ZINC000821623805 1441693569 /nfs/dbraw/zinc/69/35/69/1441693569.db2.gz SVYJIFVIJJUBAB-QAPCUYQASA-N 0 1 386.500 3.240 20 0 GGADMN CC(C)CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824243034 1441707344 /nfs/dbraw/zinc/70/73/44/1441707344.db2.gz CVKBZHVNDDUZFA-QGZVFWFLSA-N 0 1 393.557 3.081 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000737845188 1441716330 /nfs/dbraw/zinc/71/63/30/1441716330.db2.gz XSHWKWNTPVLBIV-SFHVURJKSA-N 0 1 398.417 3.311 20 0 GGADMN CN(Cn1[nH]c(C(C)(C)C)[nH+]c1=S)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825999130 1441717324 /nfs/dbraw/zinc/71/73/24/1441717324.db2.gz NHZSMSSWQQNUAZ-UHFFFAOYSA-N 0 1 378.893 3.166 20 0 GGADMN Cc1ccsc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826316561 1441720072 /nfs/dbraw/zinc/72/00/72/1441720072.db2.gz RTZACXCIQUBJOY-UHFFFAOYSA-N 0 1 382.493 3.087 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826507224 1441720240 /nfs/dbraw/zinc/72/02/40/1441720240.db2.gz KREJJUMMJXIXRV-OCCSQVGLSA-N 0 1 395.410 3.255 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826507224 1441720244 /nfs/dbraw/zinc/72/02/44/1441720244.db2.gz KREJJUMMJXIXRV-OCCSQVGLSA-N 0 1 395.410 3.255 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000737640106 1441727740 /nfs/dbraw/zinc/72/77/40/1441727740.db2.gz JSPMBQLPTKLEMR-UHFFFAOYSA-N 0 1 386.862 3.024 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000826274476 1441728513 /nfs/dbraw/zinc/72/85/13/1441728513.db2.gz SJKLGDAIAQTVMQ-RKDXNWHRSA-N 0 1 380.296 3.137 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000826169046 1441728574 /nfs/dbraw/zinc/72/85/74/1441728574.db2.gz GSWZAURYMAQFQV-UHFFFAOYSA-N 0 1 389.463 3.131 20 0 GGADMN C[C@@H](NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1c(F)cccc1F ZINC000824547663 1441731956 /nfs/dbraw/zinc/73/19/56/1441731956.db2.gz RFLKMVMOANJJPD-CQSZACIVSA-N 0 1 398.461 3.460 20 0 GGADMN CC[N@@H+](CCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)CC1CC1 ZINC000825419176 1441736609 /nfs/dbraw/zinc/73/66/09/1441736609.db2.gz JQXOCOBQTJSXHJ-UHFFFAOYSA-N 0 1 395.964 3.315 20 0 GGADMN CC[N@H+](CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)CC1CC1 ZINC000825419176 1441736614 /nfs/dbraw/zinc/73/66/14/1441736614.db2.gz JQXOCOBQTJSXHJ-UHFFFAOYSA-N 0 1 395.964 3.315 20 0 GGADMN CC[N@@H+](CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)CC1CC1 ZINC000825419176 1441736620 /nfs/dbraw/zinc/73/66/20/1441736620.db2.gz JQXOCOBQTJSXHJ-UHFFFAOYSA-N 0 1 395.964 3.315 20 0 GGADMN Cc1cc(N2CCC(Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000822206988 1441745641 /nfs/dbraw/zinc/74/56/41/1441745641.db2.gz HDHODKGZJSYBGT-UHFFFAOYSA-N 0 1 384.875 3.008 20 0 GGADMN CC[N@@H+](CCc1cccs1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821215734 1441748213 /nfs/dbraw/zinc/74/82/13/1441748213.db2.gz SLGBXAXITXJDKF-UHFFFAOYSA-N 0 1 381.465 3.043 20 0 GGADMN COc1cc([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)ccc1OC(C)C ZINC000826177268 1441750192 /nfs/dbraw/zinc/75/01/92/1441750192.db2.gz AOGAXRNXQGYETF-OAHLLOKOSA-N 0 1 397.479 3.392 20 0 GGADMN CCCCC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000825266419 1441753500 /nfs/dbraw/zinc/75/35/00/1441753500.db2.gz FWJYPGGAVRBGSE-QGZVFWFLSA-N 0 1 393.557 3.225 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000737032607 1441768137 /nfs/dbraw/zinc/76/81/37/1441768137.db2.gz MQZWNEAOMDFCOO-UHFFFAOYSA-N 0 1 397.479 3.012 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000822743674 1441772117 /nfs/dbraw/zinc/77/21/17/1441772117.db2.gz CQBVHPNIXMDYCX-UHFFFAOYSA-N 0 1 381.333 3.237 20 0 GGADMN c1ccc(-c2nnc(CC[NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)o2)cc1 ZINC000826519476 1441773293 /nfs/dbraw/zinc/77/32/93/1441773293.db2.gz ZXWNRHXAINSRRE-GOSISDBHSA-N 0 1 387.447 3.126 20 0 GGADMN C[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572960 1441773578 /nfs/dbraw/zinc/77/35/78/1441773578.db2.gz YIEFFAPLUZLDKS-PIGZYNQJSA-N 0 1 395.360 3.107 20 0 GGADMN c1cnc2ccc(C[NH+]3CCC(Oc4cccc(-c5nn[n-]n5)c4)CC3)cc2c1 ZINC000826517904 1441777725 /nfs/dbraw/zinc/77/77/25/1441777725.db2.gz SUTJVHWJEUHLOY-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824261283 1441784974 /nfs/dbraw/zinc/78/49/74/1441784974.db2.gz HJNCBSFHKGIQBG-GFCCVEGCSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824261283 1441784979 /nfs/dbraw/zinc/78/49/79/1441784979.db2.gz HJNCBSFHKGIQBG-GFCCVEGCSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824261283 1441784982 /nfs/dbraw/zinc/78/49/82/1441784982.db2.gz HJNCBSFHKGIQBG-GFCCVEGCSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)(C)c1ccc([C@H](O)CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000819958853 1441817450 /nfs/dbraw/zinc/81/74/50/1441817450.db2.gz RNCZOVUPXLIVDT-LJQANCHMSA-N 0 1 388.475 3.280 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736236062 1441819934 /nfs/dbraw/zinc/81/99/34/1441819934.db2.gz GNCNIOZNVIXPLN-JHJVBQTASA-N 0 1 395.433 3.122 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736214672 1441836526 /nfs/dbraw/zinc/83/65/26/1441836526.db2.gz SZLQXBZYSVSMSV-HXUWFJFHSA-N 0 1 393.491 3.488 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736214672 1441836528 /nfs/dbraw/zinc/83/65/28/1441836528.db2.gz SZLQXBZYSVSMSV-HXUWFJFHSA-N 0 1 393.491 3.488 20 0 GGADMN C[N@H+](Cc1cccnc1)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825985816 1441837259 /nfs/dbraw/zinc/83/72/59/1441837259.db2.gz BODKISOVYRRZRN-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN C[N@@H+](Cc1cccnc1)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825985816 1441837262 /nfs/dbraw/zinc/83/72/62/1441837262.db2.gz BODKISOVYRRZRN-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821062540 1441838813 /nfs/dbraw/zinc/83/88/13/1441838813.db2.gz WXCRWUODWPQFHX-UHFFFAOYSA-N 0 1 398.536 3.480 20 0 GGADMN CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821062540 1441838815 /nfs/dbraw/zinc/83/88/15/1441838815.db2.gz WXCRWUODWPQFHX-UHFFFAOYSA-N 0 1 398.536 3.480 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821062540 1441838818 /nfs/dbraw/zinc/83/88/18/1441838818.db2.gz WXCRWUODWPQFHX-UHFFFAOYSA-N 0 1 398.536 3.480 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826238198 1441840486 /nfs/dbraw/zinc/84/04/86/1441840486.db2.gz ZCGJALXSOSSCJT-CQSZACIVSA-N 0 1 397.914 3.324 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826238198 1441840488 /nfs/dbraw/zinc/84/04/88/1441840488.db2.gz ZCGJALXSOSSCJT-CQSZACIVSA-N 0 1 397.914 3.324 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826238198 1441840490 /nfs/dbraw/zinc/84/04/90/1441840490.db2.gz ZCGJALXSOSSCJT-CQSZACIVSA-N 0 1 397.914 3.324 20 0 GGADMN C[C@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH+]2)C[C@H](C)O1 ZINC000736287106 1441847854 /nfs/dbraw/zinc/84/78/54/1441847854.db2.gz DNRWBPXDFDJWOC-STQMWFEESA-N 0 1 399.886 3.141 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000736198088 1441847873 /nfs/dbraw/zinc/84/78/73/1441847873.db2.gz QPTSXYGLZYGFPI-CQSZACIVSA-N 0 1 394.454 3.418 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCCC1)C2 ZINC000738424654 1441853424 /nfs/dbraw/zinc/85/34/24/1441853424.db2.gz HSXKDWBAJVAXMP-KXBFYZLASA-N 0 1 392.511 3.016 20 0 GGADMN c1cc(C[N@H+]2CCOCC3(CC3)C2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826515729 1441857224 /nfs/dbraw/zinc/85/72/24/1441857224.db2.gz JAYHVHIEDKCGQL-UHFFFAOYSA-N 0 1 391.475 3.058 20 0 GGADMN CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819914116 1441880330 /nfs/dbraw/zinc/88/03/30/1441880330.db2.gz MAYJDQSTDSSPBI-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@H]1CCCOC1 ZINC000825981090 1441884145 /nfs/dbraw/zinc/88/41/45/1441884145.db2.gz OLUIJOQMQUWSRD-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCCOC1 ZINC000825981090 1441884147 /nfs/dbraw/zinc/88/41/47/1441884147.db2.gz OLUIJOQMQUWSRD-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCCOC1 ZINC000825981090 1441884151 /nfs/dbraw/zinc/88/41/51/1441884151.db2.gz OLUIJOQMQUWSRD-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN Clc1cc(N2CC[NH+](CC=Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737567151 1441890914 /nfs/dbraw/zinc/89/09/14/1441890914.db2.gz YALJTNSNHLHLPU-DAXSKMNVSA-N 0 1 380.883 3.356 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)c1-c1nnn[n-]1 ZINC000822015167 1441900386 /nfs/dbraw/zinc/90/03/86/1441900386.db2.gz FEZHOXSIYGUOIQ-ZDUSSCGKSA-N 0 1 399.543 3.459 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000824600129 1441924727 /nfs/dbraw/zinc/92/47/27/1441924727.db2.gz WLKKCKNPFTYTIT-GFCCVEGCSA-N 0 1 375.379 3.198 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cc1 ZINC000738432098 1441927800 /nfs/dbraw/zinc/92/78/00/1441927800.db2.gz BGFZZJQZEUFKQH-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000738432098 1441927806 /nfs/dbraw/zinc/92/78/06/1441927806.db2.gz BGFZZJQZEUFKQH-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000738432098 1441927807 /nfs/dbraw/zinc/92/78/07/1441927807.db2.gz BGFZZJQZEUFKQH-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN Cc1cc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(C)s1 ZINC000826267288 1441928869 /nfs/dbraw/zinc/92/88/69/1441928869.db2.gz YWHDHNYVEWXJAG-UHFFFAOYSA-N 0 1 384.509 3.420 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CCCCC3)o2)c1 ZINC000823738351 1441936319 /nfs/dbraw/zinc/93/63/19/1441936319.db2.gz RWCSXOMFWGEZNN-QGZVFWFLSA-N 0 1 379.468 3.461 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825459718 1441940742 /nfs/dbraw/zinc/94/07/42/1441940742.db2.gz MGCBZLKYICOPMN-FQEVSTJZSA-N 0 1 390.491 3.024 20 0 GGADMN COc1ccc(OC)c([C@H]2CCC[N@H+]2CCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737108395 1441942372 /nfs/dbraw/zinc/94/23/72/1441942372.db2.gz LEYZTWYBCOYLJW-LJQANCHMSA-N 0 1 395.463 3.100 20 0 GGADMN Cc1[nH+]ccn1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000822477654 1441946390 /nfs/dbraw/zinc/94/63/90/1441946390.db2.gz NOLZHSAISPXQPA-CQSZACIVSA-N 0 1 394.870 3.415 20 0 GGADMN Cc1ccccc1[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826305838 1441950244 /nfs/dbraw/zinc/95/02/44/1441950244.db2.gz JUGFLJCCOJTYRI-FQEVSTJZSA-N 0 1 376.464 3.245 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822496333 1441966197 /nfs/dbraw/zinc/96/61/97/1441966197.db2.gz JOPYVYHPVOPPEK-CQSZACIVSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822496333 1441966201 /nfs/dbraw/zinc/96/62/01/1441966201.db2.gz JOPYVYHPVOPPEK-CQSZACIVSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822496333 1441966204 /nfs/dbraw/zinc/96/62/04/1441966204.db2.gz JOPYVYHPVOPPEK-CQSZACIVSA-N 0 1 375.839 3.038 20 0 GGADMN O[C@@H](C[NH+]1CCC(=Cc2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672393 1441968707 /nfs/dbraw/zinc/96/87/07/1441968707.db2.gz DOAAVHCJBNDNSM-FQEVSTJZSA-N 0 1 379.439 3.219 20 0 GGADMN Cc1cc(C)cc(C2=CC[N@@H+](Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)c1 ZINC000826264612 1441975423 /nfs/dbraw/zinc/97/54/23/1441975423.db2.gz UHHWNMVJLCZYRF-UHFFFAOYSA-N 0 1 385.475 3.421 20 0 GGADMN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824571687 1441990193 /nfs/dbraw/zinc/99/01/93/1441990193.db2.gz QYOKLAVCSPSVOM-WBMJQRKESA-N 0 1 392.479 3.206 20 0 GGADMN OCC[N@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000826510072 1441994531 /nfs/dbraw/zinc/99/45/31/1441994531.db2.gz WZIXKYLLCKOPNN-UHFFFAOYSA-N 0 1 384.292 3.230 20 0 GGADMN OCC[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000826510072 1441994535 /nfs/dbraw/zinc/99/45/35/1441994535.db2.gz WZIXKYLLCKOPNN-UHFFFAOYSA-N 0 1 384.292 3.230 20 0 GGADMN Fc1ccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c(-c2nn[n-]n2)c1 ZINC000737648464 1442000776 /nfs/dbraw/zinc/00/07/76/1442000776.db2.gz JTTSKSGFDKEQRF-UHFFFAOYSA-N 0 1 392.482 3.281 20 0 GGADMN CCCCC[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821049281 1442003052 /nfs/dbraw/zinc/00/30/52/1442003052.db2.gz JZDPXWQNOURIEK-KRWDZBQOSA-N 0 1 384.528 3.117 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1C ZINC000737547374 1442017745 /nfs/dbraw/zinc/01/77/45/1442017745.db2.gz KBLJMSIZMRPIID-TZMCWYRMSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1C ZINC000737547374 1442017747 /nfs/dbraw/zinc/01/77/47/1442017747.db2.gz KBLJMSIZMRPIID-TZMCWYRMSA-N 0 1 398.442 3.032 20 0 GGADMN FC(F)(F)c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822723857 1442018663 /nfs/dbraw/zinc/01/86/63/1442018663.db2.gz RFLNUSCWZLOPEF-UHFFFAOYSA-N 0 1 394.426 3.269 20 0 GGADMN CCOc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc23)cc1F ZINC000821422330 1442025243 /nfs/dbraw/zinc/02/52/43/1442025243.db2.gz UIMDVQLRZJXCPI-UHFFFAOYSA-N 0 1 378.411 3.295 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824613914 1442038108 /nfs/dbraw/zinc/03/81/08/1442038108.db2.gz YITMGZXPDFMJOY-WMLDXEAASA-N 0 1 386.500 3.134 20 0 GGADMN CCC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000821099190 1442038811 /nfs/dbraw/zinc/03/88/11/1442038811.db2.gz AWRQCRIUJIRLSV-OTWHNJEPSA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000821099190 1442038813 /nfs/dbraw/zinc/03/88/13/1442038813.db2.gz AWRQCRIUJIRLSV-OTWHNJEPSA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000821099190 1442038816 /nfs/dbraw/zinc/03/88/16/1442038816.db2.gz AWRQCRIUJIRLSV-OTWHNJEPSA-N 0 1 385.512 3.161 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000824572075 1442043818 /nfs/dbraw/zinc/04/38/18/1442043818.db2.gz SLIPLPMHWMZZMD-ZBEGNZNMSA-N 0 1 377.370 3.270 20 0 GGADMN CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821165902 1442047049 /nfs/dbraw/zinc/04/70/49/1442047049.db2.gz YLARXLYJEQPDJR-UHFFFAOYSA-N 0 1 382.443 3.083 20 0 GGADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821165902 1442047053 /nfs/dbraw/zinc/04/70/53/1442047053.db2.gz YLARXLYJEQPDJR-UHFFFAOYSA-N 0 1 382.443 3.083 20 0 GGADMN CC[N@@H+](Cc1cccc(OCCOC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435135 1442051941 /nfs/dbraw/zinc/05/19/41/1442051941.db2.gz NAVVRUSDKWGXHL-MRXNPFEDSA-N 0 1 381.480 3.475 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000736321622 1442061248 /nfs/dbraw/zinc/06/12/48/1442061248.db2.gz DRNCJHBNNVXLFO-STQMWFEESA-N 0 1 390.557 3.360 20 0 GGADMN CC[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736321622 1442061251 /nfs/dbraw/zinc/06/12/51/1442061251.db2.gz DRNCJHBNNVXLFO-STQMWFEESA-N 0 1 390.557 3.360 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000736321622 1442061254 /nfs/dbraw/zinc/06/12/54/1442061254.db2.gz DRNCJHBNNVXLFO-STQMWFEESA-N 0 1 390.557 3.360 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826523535 1442061509 /nfs/dbraw/zinc/06/15/09/1442061509.db2.gz PQPXSFWBECPIBZ-OAQYLSRUSA-N 0 1 388.519 3.104 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2C[N@@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826523535 1442061511 /nfs/dbraw/zinc/06/15/11/1442061511.db2.gz PQPXSFWBECPIBZ-OAQYLSRUSA-N 0 1 388.519 3.104 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2C[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826523535 1442061515 /nfs/dbraw/zinc/06/15/15/1442061515.db2.gz PQPXSFWBECPIBZ-OAQYLSRUSA-N 0 1 388.519 3.104 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820650577 1442071079 /nfs/dbraw/zinc/07/10/79/1442071079.db2.gz VWORVWLSZCVOKP-XQQFMLRXSA-N 0 1 391.907 3.008 20 0 GGADMN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820650577 1442071082 /nfs/dbraw/zinc/07/10/82/1442071082.db2.gz VWORVWLSZCVOKP-XQQFMLRXSA-N 0 1 391.907 3.008 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820650577 1442071084 /nfs/dbraw/zinc/07/10/84/1442071084.db2.gz VWORVWLSZCVOKP-XQQFMLRXSA-N 0 1 391.907 3.008 20 0 GGADMN CC(C)[C@@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000824199411 1442073119 /nfs/dbraw/zinc/07/31/19/1442073119.db2.gz JSQZFGRHEDQISM-HXUWFJFHSA-N 0 1 395.463 3.004 20 0 GGADMN CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000820025684 1442077352 /nfs/dbraw/zinc/07/73/52/1442077352.db2.gz BTJHOYRKQOZLBS-IBGZPJMESA-N 0 1 382.443 3.321 20 0 GGADMN C[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585580 1442095101 /nfs/dbraw/zinc/09/51/01/1442095101.db2.gz SOIIXVOETJBSLQ-CQSZACIVSA-N 0 1 386.500 3.307 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@H](C)[C@H](n4ccnc4)C3)c2c1 ZINC000822195471 1442100789 /nfs/dbraw/zinc/10/07/89/1442100789.db2.gz SOHXWCGVODFHLQ-KBXCAEBGSA-N 0 1 388.479 3.316 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000824585020 1442100895 /nfs/dbraw/zinc/10/08/95/1442100895.db2.gz LUKZQDMMXCIZEK-SECBINFHSA-N 0 1 394.863 3.400 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737504162 1442114226 /nfs/dbraw/zinc/11/42/26/1442114226.db2.gz QLRDIQPNTVVVOZ-UHFFFAOYSA-N 0 1 395.417 3.237 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000824426317 1442115450 /nfs/dbraw/zinc/11/54/50/1442115450.db2.gz DATNCAFLEZFDRD-INIZCTEOSA-N 0 1 394.498 3.364 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738151518 1442116870 /nfs/dbraw/zinc/11/68/70/1442116870.db2.gz JCPACGIZKBPQLY-CQSZACIVSA-N 0 1 389.891 3.002 20 0 GGADMN Cc1[nH+]ccn1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000822204673 1442119016 /nfs/dbraw/zinc/11/90/16/1442119016.db2.gz WQLWDVQKVXSIIY-OAHLLOKOSA-N 0 1 392.442 3.209 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432615 1442125036 /nfs/dbraw/zinc/12/50/36/1442125036.db2.gz QZODROUWVCQZJD-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000822204706 1442127901 /nfs/dbraw/zinc/12/79/01/1442127901.db2.gz YEQVGVIGLZHGJB-INIZCTEOSA-N 0 1 395.486 3.317 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470504 1442146603 /nfs/dbraw/zinc/14/66/03/1442146603.db2.gz IYVLSDVAPQGVJM-YWZLYKJASA-N 0 1 390.491 3.195 20 0 GGADMN CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000825210770 1442149727 /nfs/dbraw/zinc/14/97/27/1442149727.db2.gz JANKOZYUVLNYGB-LJQANCHMSA-N 0 1 379.464 3.057 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000825210770 1442149731 /nfs/dbraw/zinc/14/97/31/1442149731.db2.gz JANKOZYUVLNYGB-LJQANCHMSA-N 0 1 379.464 3.057 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000826028483 1442153978 /nfs/dbraw/zinc/15/39/78/1442153978.db2.gz AYKXYJAKUZADLY-UKRRQHHQSA-N 0 1 389.385 3.138 20 0 GGADMN COc1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)ccc1OC(C)C ZINC000737047864 1442160674 /nfs/dbraw/zinc/16/06/74/1442160674.db2.gz SPNMXYNEWLJUHB-UHFFFAOYSA-N 0 1 390.447 3.245 20 0 GGADMN Cc1ccnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1-c1nnn[n-]1 ZINC000826314331 1442170311 /nfs/dbraw/zinc/17/03/11/1442170311.db2.gz RMVLEBYEZCLCNS-UHFFFAOYSA-N 0 1 398.474 3.140 20 0 GGADMN C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531604 1442170748 /nfs/dbraw/zinc/17/07/48/1442170748.db2.gz PPPZIROAYJLBDS-MGPLVRAMSA-N 0 1 395.360 3.409 20 0 GGADMN Cc1cc(=O)oc2cc(OCC[NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc12 ZINC000826256607 1442175195 /nfs/dbraw/zinc/17/51/95/1442175195.db2.gz RDXUWDRXPGLBOS-CQSZACIVSA-N 0 1 391.431 3.011 20 0 GGADMN CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139094907 1442198529 /nfs/dbraw/zinc/19/85/29/1442198529.db2.gz KJEOQZCBKNVULP-QAQDUYKDSA-N 0 1 385.512 3.448 20 0 GGADMN CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139094907 1442198537 /nfs/dbraw/zinc/19/85/37/1442198537.db2.gz KJEOQZCBKNVULP-QAQDUYKDSA-N 0 1 385.512 3.448 20 0 GGADMN CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139094907 1442198540 /nfs/dbraw/zinc/19/85/40/1442198540.db2.gz KJEOQZCBKNVULP-QAQDUYKDSA-N 0 1 385.512 3.448 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000820428511 1442224629 /nfs/dbraw/zinc/22/46/29/1442224629.db2.gz XSBFXMNTKYDTJN-CQSZACIVSA-N 0 1 377.427 3.101 20 0 GGADMN c1sc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1-c1nnn[n-]1 ZINC000823757843 1442231428 /nfs/dbraw/zinc/23/14/28/1442231428.db2.gz WZUXYJQFPJAWHC-UHFFFAOYSA-N 0 1 395.536 3.072 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431563 1442253855 /nfs/dbraw/zinc/25/38/55/1442253855.db2.gz GSGMPTXRSKVDEN-OLZOCXBDSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1CCC(C)(C)C1 ZINC000819875946 1442273266 /nfs/dbraw/zinc/27/32/66/1442273266.db2.gz CMYFCJCEUUEQPK-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CC2 ZINC000826352801 1442276277 /nfs/dbraw/zinc/27/62/77/1442276277.db2.gz OKKDLQGCNKGMEQ-SFHVURJKSA-N 0 1 395.898 3.161 20 0 GGADMN Cc1ccc(F)c(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826289022 1442288677 /nfs/dbraw/zinc/28/86/77/1442288677.db2.gz HCBWPMIHTBILRI-UHFFFAOYSA-N 0 1 382.443 3.189 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820666575 1442293634 /nfs/dbraw/zinc/29/36/34/1442293634.db2.gz IYHOFMYCTJLYDH-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820666575 1442293638 /nfs/dbraw/zinc/29/36/38/1442293638.db2.gz IYHOFMYCTJLYDH-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820666575 1442293644 /nfs/dbraw/zinc/29/36/44/1442293644.db2.gz IYHOFMYCTJLYDH-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN CCc1ccc(CC[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736684670 1442302261 /nfs/dbraw/zinc/30/22/61/1442302261.db2.gz ZQJLFUCOWHRENE-UHFFFAOYSA-N 0 1 390.535 3.180 20 0 GGADMN CCc1ccc(CC[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736684670 1442302265 /nfs/dbraw/zinc/30/22/65/1442302265.db2.gz ZQJLFUCOWHRENE-UHFFFAOYSA-N 0 1 390.535 3.180 20 0 GGADMN CCc1ccc(CC[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736684670 1442302269 /nfs/dbraw/zinc/30/22/69/1442302269.db2.gz ZQJLFUCOWHRENE-UHFFFAOYSA-N 0 1 390.535 3.180 20 0 GGADMN CCc1ccc(CCN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736684670 1442302272 /nfs/dbraw/zinc/30/22/72/1442302272.db2.gz ZQJLFUCOWHRENE-UHFFFAOYSA-N 0 1 390.535 3.180 20 0 GGADMN CCc1ccc(CCN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736684670 1442302276 /nfs/dbraw/zinc/30/22/76/1442302276.db2.gz ZQJLFUCOWHRENE-UHFFFAOYSA-N 0 1 390.535 3.180 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028935 1442307827 /nfs/dbraw/zinc/30/78/27/1442307827.db2.gz KVTUNFDZJSUPDI-CJNGLKHVSA-N 0 1 390.278 3.426 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824612291 1442314056 /nfs/dbraw/zinc/31/40/56/1442314056.db2.gz MDFYWKDOKRGNQB-MRXNPFEDSA-N 0 1 393.491 3.413 20 0 GGADMN Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826307502 1442319007 /nfs/dbraw/zinc/31/90/07/1442319007.db2.gz KXYLVWHDQHMWMF-OAHLLOKOSA-N 0 1 376.464 3.171 20 0 GGADMN CC(C)c1ccc([C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(C)C)cc1 ZINC000735924321 1442327315 /nfs/dbraw/zinc/32/73/15/1442327315.db2.gz QLXQCVIPAGYTCP-KXBFYZLASA-N 0 1 394.527 3.215 20 0 GGADMN COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736912634 1442337860 /nfs/dbraw/zinc/33/78/60/1442337860.db2.gz SLTJKDRKDGUJQU-SFHVURJKSA-N 0 1 391.475 3.451 20 0 GGADMN COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736912634 1442337864 /nfs/dbraw/zinc/33/78/64/1442337864.db2.gz SLTJKDRKDGUJQU-SFHVURJKSA-N 0 1 391.475 3.451 20 0 GGADMN COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736912634 1442337868 /nfs/dbraw/zinc/33/78/68/1442337868.db2.gz SLTJKDRKDGUJQU-SFHVURJKSA-N 0 1 391.475 3.451 20 0 GGADMN O[C@@H](C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826502742 1442338537 /nfs/dbraw/zinc/33/85/37/1442338537.db2.gz JSOAUEOXBDZGLL-HNNXBMFYSA-N 0 1 390.274 3.486 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2)C1 ZINC000820722382 1442339002 /nfs/dbraw/zinc/33/90/02/1442339002.db2.gz IERGVHKKCXUVJC-OAHLLOKOSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@@H]1CC[N@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)C1 ZINC000820722382 1442339006 /nfs/dbraw/zinc/33/90/06/1442339006.db2.gz IERGVHKKCXUVJC-OAHLLOKOSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)C1 ZINC000820722382 1442339010 /nfs/dbraw/zinc/33/90/10/1442339010.db2.gz IERGVHKKCXUVJC-OAHLLOKOSA-N 0 1 396.470 3.339 20 0 GGADMN c1ccc(-c2noc(C3CC[NH+](Cc4ccccc4-c4nn[n-]n4)CC3)n2)cc1 ZINC000738427517 1442345876 /nfs/dbraw/zinc/34/58/76/1442345876.db2.gz WZFCULQDJDZWJW-UHFFFAOYSA-N 0 1 387.447 3.296 20 0 GGADMN CCC[C@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccn1 ZINC000825242114 1442347549 /nfs/dbraw/zinc/34/75/49/1442347549.db2.gz IMNZYWIMJOPDDV-NRFANRHFSA-N 0 1 391.523 3.357 20 0 GGADMN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825014881 1442347652 /nfs/dbraw/zinc/34/76/52/1442347652.db2.gz YFMPCJYCBKEIAO-QVKFZJNVSA-N 0 1 379.464 3.103 20 0 GGADMN Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826294393 1442356327 /nfs/dbraw/zinc/35/63/27/1442356327.db2.gz QFKIMQKSMGPTOE-QFIPXVFZSA-N 0 1 388.519 3.417 20 0 GGADMN Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000826290567 1442358133 /nfs/dbraw/zinc/35/81/33/1442358133.db2.gz QMPNRQOYUCELHM-AWEZNQCLSA-N 0 1 382.443 3.130 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821207937 1442365158 /nfs/dbraw/zinc/36/51/58/1442365158.db2.gz YXGFIAMXLWFELW-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207937 1442365160 /nfs/dbraw/zinc/36/51/60/1442365160.db2.gz YXGFIAMXLWFELW-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207937 1442365163 /nfs/dbraw/zinc/36/51/63/1442365163.db2.gz YXGFIAMXLWFELW-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517213 1442368992 /nfs/dbraw/zinc/36/89/92/1442368992.db2.gz VGUINSSQXNTDNV-FQEVSTJZSA-N 0 1 389.507 3.419 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)CCCCc1ccccc1 ZINC000737033729 1442380124 /nfs/dbraw/zinc/38/01/24/1442380124.db2.gz RHDJTWJQAOZCNG-UHFFFAOYSA-N 0 1 381.480 3.209 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](C)CCCCc1ccccc1 ZINC000737033729 1442380127 /nfs/dbraw/zinc/38/01/27/1442380127.db2.gz RHDJTWJQAOZCNG-UHFFFAOYSA-N 0 1 381.480 3.209 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](C)CCCCc1ccccc1 ZINC000737033729 1442380130 /nfs/dbraw/zinc/38/01/30/1442380130.db2.gz RHDJTWJQAOZCNG-UHFFFAOYSA-N 0 1 381.480 3.209 20 0 GGADMN CC[NH+]1CCN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)c(C)c2)CC1 ZINC000821275921 1442387748 /nfs/dbraw/zinc/38/77/48/1442387748.db2.gz FOPWZWCEYYPWPC-UHFFFAOYSA-N 0 1 395.486 3.068 20 0 GGADMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540228 1442396037 /nfs/dbraw/zinc/39/60/37/1442396037.db2.gz UHEQNEKQWGLTEH-RLFYNMQTSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)Oc1ccccc1Cl ZINC000820275430 1442401459 /nfs/dbraw/zinc/40/14/59/1442401459.db2.gz QTQOXURPUUIIMW-LBPRGKRZSA-N 0 1 380.839 3.370 20 0 GGADMN CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825416034 1442409499 /nfs/dbraw/zinc/40/94/99/1442409499.db2.gz GTMIREGRODWZRF-UHFFFAOYSA-N 0 1 398.898 3.292 20 0 GGADMN CCC(CC)(CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736336068 1442423559 /nfs/dbraw/zinc/42/35/59/1442423559.db2.gz ZBBMNPOLXDSHSJ-UHFFFAOYSA-N 0 1 381.480 3.086 20 0 GGADMN C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000820655337 1442425383 /nfs/dbraw/zinc/42/53/83/1442425383.db2.gz ASOXVODUZPXHOD-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820759026 1442438656 /nfs/dbraw/zinc/43/86/56/1442438656.db2.gz GXRMXEKYHUUAPC-HZPDHXFCSA-N 0 1 394.498 3.252 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000826169658 1442442849 /nfs/dbraw/zinc/44/28/49/1442442849.db2.gz AAGDIIZWCYABMC-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598533 1442443522 /nfs/dbraw/zinc/44/35/22/1442443522.db2.gz FOWKLAUCRHKGMQ-LLVKDONJSA-N 0 1 378.358 3.010 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824875894 1442445529 /nfs/dbraw/zinc/44/55/29/1442445529.db2.gz PHMKCDFCCWMDON-OKILXGFUSA-N 0 1 390.919 3.008 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824875894 1442445532 /nfs/dbraw/zinc/44/55/32/1442445532.db2.gz PHMKCDFCCWMDON-OKILXGFUSA-N 0 1 390.919 3.008 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824875894 1442445535 /nfs/dbraw/zinc/44/55/35/1442445535.db2.gz PHMKCDFCCWMDON-OKILXGFUSA-N 0 1 390.919 3.008 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736236063 1442450030 /nfs/dbraw/zinc/45/00/30/1442450030.db2.gz GNCNIOZNVIXPLN-UPJWGTAASA-N 0 1 395.433 3.122 20 0 GGADMN COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000826192025 1442451032 /nfs/dbraw/zinc/45/10/32/1442451032.db2.gz XJDFSHDJSFPEIP-INIZCTEOSA-N 0 1 397.479 3.464 20 0 GGADMN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826145602 1442468217 /nfs/dbraw/zinc/46/82/17/1442468217.db2.gz JRYJMBSUMVJKJL-DYESRHJHSA-N 0 1 393.491 3.350 20 0 GGADMN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1nc2ccccc2s1 ZINC000821600412 1443081474 /nfs/dbraw/zinc/08/14/74/1443081474.db2.gz LOTQBYMRNOEATD-UHFFFAOYSA-N 0 1 380.477 3.377 20 0 GGADMN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1nc2ccccc2s1 ZINC000821600412 1443081478 /nfs/dbraw/zinc/08/14/78/1443081478.db2.gz LOTQBYMRNOEATD-UHFFFAOYSA-N 0 1 380.477 3.377 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC000826404498 1443089875 /nfs/dbraw/zinc/08/98/75/1443089875.db2.gz CDIPGIMUAYGGFL-QGZVFWFLSA-N 0 1 383.402 3.382 20 0 GGADMN O[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682165 1443094591 /nfs/dbraw/zinc/09/45/91/1443094591.db2.gz NIGDXYBDSPMRIL-FCHUYYIVSA-N 0 1 385.471 3.474 20 0 GGADMN Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270174 1443111125 /nfs/dbraw/zinc/11/11/25/1443111125.db2.gz BSXLNIKGPWJHFT-CQSZACIVSA-N 0 1 399.462 3.083 20 0 GGADMN Fc1cccc(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)c1-c1nnn[n-]1 ZINC000826377488 1443113707 /nfs/dbraw/zinc/11/37/07/1443113707.db2.gz UFKBWCQTMPAMAD-UHFFFAOYSA-N 0 1 399.499 3.052 20 0 GGADMN COc1ccccc1C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000821899526 1443132652 /nfs/dbraw/zinc/13/26/52/1443132652.db2.gz ZZFUKNADORMJIV-QGZVFWFLSA-N 0 1 397.454 3.196 20 0 GGADMN COc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000821899526 1443132658 /nfs/dbraw/zinc/13/26/58/1443132658.db2.gz ZZFUKNADORMJIV-QGZVFWFLSA-N 0 1 397.454 3.196 20 0 GGADMN CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824333468 1443143594 /nfs/dbraw/zinc/14/35/94/1443143594.db2.gz KCYCHGMYODNOEZ-GFCCVEGCSA-N 0 1 386.481 3.005 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825961281 1443148516 /nfs/dbraw/zinc/14/85/16/1443148516.db2.gz DLTZHUAAMQBIEN-DZGCQCFKSA-N 0 1 396.303 3.325 20 0 GGADMN C[C@H](O)C1CC[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000824690467 1443153727 /nfs/dbraw/zinc/15/37/27/1443153727.db2.gz SIPDMVSQNOQLOF-INIZCTEOSA-N 0 1 393.491 3.039 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000826176315 1443157273 /nfs/dbraw/zinc/15/72/73/1443157273.db2.gz KCKPWXJPDXJOOE-SFHVURJKSA-N 0 1 379.464 3.385 20 0 GGADMN c1ccc(-c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738423282 1443168960 /nfs/dbraw/zinc/16/89/60/1443168960.db2.gz QDWCKINCKOMMBZ-IBGZPJMESA-N 0 1 388.519 3.451 20 0 GGADMN c1ccc(-c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000738423282 1443168962 /nfs/dbraw/zinc/16/89/62/1443168962.db2.gz QDWCKINCKOMMBZ-IBGZPJMESA-N 0 1 388.519 3.451 20 0 GGADMN CC(C)([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000735679045 1443169709 /nfs/dbraw/zinc/16/97/09/1443169709.db2.gz YYUZEOLEGFHYSG-UHFFFAOYSA-N 0 1 384.871 3.374 20 0 GGADMN CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000735888310 1443186634 /nfs/dbraw/zinc/18/66/34/1443186634.db2.gz KGUHJYOMNZJQRM-LJQANCHMSA-N 0 1 376.508 3.496 20 0 GGADMN C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103464 1443188576 /nfs/dbraw/zinc/18/85/76/1443188576.db2.gz YNBRZOLTDPTEPG-PXAZEXFGSA-N 0 1 384.871 3.000 20 0 GGADMN c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826520046 1443194302 /nfs/dbraw/zinc/19/43/02/1443194302.db2.gz YUXKLAPTJRVKKG-OAQYLSRUSA-N 0 1 385.475 3.262 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C3)n2)cc1 ZINC000826519057 1443197032 /nfs/dbraw/zinc/19/70/32/1443197032.db2.gz IGCJMXQBWSZSFT-GOSISDBHSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(-c5nn[n-]n5)cc4)C3)n2)cc1 ZINC000826519057 1443197034 /nfs/dbraw/zinc/19/70/34/1443197034.db2.gz IGCJMXQBWSZSFT-GOSISDBHSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4ccc(-c5nn[n-]n5)cc4)C3)n2)cc1 ZINC000826519057 1443197037 /nfs/dbraw/zinc/19/70/37/1443197037.db2.gz IGCJMXQBWSZSFT-GOSISDBHSA-N 0 1 386.463 3.031 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819939828 1443199494 /nfs/dbraw/zinc/19/94/94/1443199494.db2.gz KKYDJZPGLPGVJT-IRXDYDNUSA-N 0 1 386.500 3.040 20 0 GGADMN C[C@@H]1SCC[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)[C@@H]1c1ccccc1 ZINC000825021038 1443211130 /nfs/dbraw/zinc/21/11/30/1443211130.db2.gz OHQCKBUBUHTNRO-LIRRHRJNSA-N 0 1 391.504 3.193 20 0 GGADMN C[C@@H]1SCC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)[C@@H]1c1ccccc1 ZINC000825021038 1443211134 /nfs/dbraw/zinc/21/11/34/1443211134.db2.gz OHQCKBUBUHTNRO-LIRRHRJNSA-N 0 1 391.504 3.193 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000737559381 1443213031 /nfs/dbraw/zinc/21/30/31/1443213031.db2.gz VHNVALWJRFDBGY-UHFFFAOYSA-N 0 1 383.887 3.034 20 0 GGADMN CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819914059 1443225868 /nfs/dbraw/zinc/22/58/68/1443225868.db2.gz IWVGDELPJBFMNM-SFHVURJKSA-N 0 1 399.470 3.046 20 0 GGADMN CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000819914059 1443225872 /nfs/dbraw/zinc/22/58/72/1443225872.db2.gz IWVGDELPJBFMNM-SFHVURJKSA-N 0 1 399.470 3.046 20 0 GGADMN CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000819914059 1443225875 /nfs/dbraw/zinc/22/58/75/1443225875.db2.gz IWVGDELPJBFMNM-SFHVURJKSA-N 0 1 399.470 3.046 20 0 GGADMN FC(F)Oc1ccc2[nH+]cc(-c3nnn[n-]3)c(NCCCC(F)(F)F)c2c1 ZINC000822736785 1443228368 /nfs/dbraw/zinc/22/83/68/1443228368.db2.gz KJHIBXSPOJQAGG-UHFFFAOYSA-N 0 1 388.300 3.193 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000826168214 1443230673 /nfs/dbraw/zinc/23/06/73/1443230673.db2.gz GFZPGSWXVAHXMW-UHFFFAOYSA-N 0 1 387.447 3.041 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736569810 1443233024 /nfs/dbraw/zinc/23/30/24/1443233024.db2.gz IZQHKQDZJLNCQD-MRXNPFEDSA-N 0 1 396.520 3.086 20 0 GGADMN CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000819914409 1443235207 /nfs/dbraw/zinc/23/52/07/1443235207.db2.gz RSLKDIBLSPBLPP-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000737557701 1443239084 /nfs/dbraw/zinc/23/90/84/1443239084.db2.gz HSPFUGTUTMMXJI-UHFFFAOYSA-N 0 1 375.908 3.372 20 0 GGADMN CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3nn[n-]n3)cs2)c2ccccc2)CC1 ZINC000820723277 1443261890 /nfs/dbraw/zinc/26/18/90/1443261890.db2.gz YVIPZUHCHUWMMI-KRWDZBQOSA-N 0 1 396.520 3.131 20 0 GGADMN FC(F)(F)CCCCN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826367729 1443262914 /nfs/dbraw/zinc/26/29/14/1443262914.db2.gz LRJHDYYXXQNOEU-UHFFFAOYSA-N 0 1 382.434 3.107 20 0 GGADMN FC(F)(F)CCCCN1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826367729 1443262916 /nfs/dbraw/zinc/26/29/16/1443262916.db2.gz LRJHDYYXXQNOEU-UHFFFAOYSA-N 0 1 382.434 3.107 20 0 GGADMN FC(F)(F)CCCCN1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826367729 1443262924 /nfs/dbraw/zinc/26/29/24/1443262924.db2.gz LRJHDYYXXQNOEU-UHFFFAOYSA-N 0 1 382.434 3.107 20 0 GGADMN FC(F)(F)CCCC[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826367729 1443262929 /nfs/dbraw/zinc/26/29/29/1443262929.db2.gz LRJHDYYXXQNOEU-UHFFFAOYSA-N 0 1 382.434 3.107 20 0 GGADMN FC(F)(F)CCCC[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826367729 1443262930 /nfs/dbraw/zinc/26/29/30/1443262930.db2.gz LRJHDYYXXQNOEU-UHFFFAOYSA-N 0 1 382.434 3.107 20 0 GGADMN CC[C@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H](C)O1 ZINC000736405636 1443279009 /nfs/dbraw/zinc/27/90/09/1443279009.db2.gz HDJSUJQIPJNACD-MNOVXSKESA-N 0 1 390.394 3.020 20 0 GGADMN Clc1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc1-c1nnn[n-]1 ZINC000822579158 1443281500 /nfs/dbraw/zinc/28/15/00/1443281500.db2.gz WNPSDQFZNMGPNS-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN Clc1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC000822579158 1443281502 /nfs/dbraw/zinc/28/15/02/1443281502.db2.gz WNPSDQFZNMGPNS-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN Clc1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC000822579158 1443281505 /nfs/dbraw/zinc/28/15/05/1443281505.db2.gz WNPSDQFZNMGPNS-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN c1ccc2c(c1)cncc2CN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522586 1443301409 /nfs/dbraw/zinc/30/14/09/1443301409.db2.gz HIOSSMKYAJTIOZ-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)cncc2CN1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522586 1443301411 /nfs/dbraw/zinc/30/14/11/1443301411.db2.gz HIOSSMKYAJTIOZ-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)cncc2CN1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522586 1443301412 /nfs/dbraw/zinc/30/14/12/1443301412.db2.gz HIOSSMKYAJTIOZ-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)cncc2C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522586 1443301417 /nfs/dbraw/zinc/30/14/17/1443301417.db2.gz HIOSSMKYAJTIOZ-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)cncc2C[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522586 1443301420 /nfs/dbraw/zinc/30/14/20/1443301420.db2.gz HIOSSMKYAJTIOZ-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)[NH+](C)C ZINC000735772842 1443305760 /nfs/dbraw/zinc/30/57/60/1443305760.db2.gz VDGOFQHDUPWRPE-INIZCTEOSA-N 0 1 392.507 3.240 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826183521 1443311266 /nfs/dbraw/zinc/31/12/66/1443311266.db2.gz RPYROKSKMLLYDP-QZTJIDSGSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826183521 1443311270 /nfs/dbraw/zinc/31/12/70/1443311270.db2.gz RPYROKSKMLLYDP-QZTJIDSGSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826183521 1443311275 /nfs/dbraw/zinc/31/12/75/1443311275.db2.gz RPYROKSKMLLYDP-QZTJIDSGSA-N 0 1 397.479 3.337 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000823821750 1443314116 /nfs/dbraw/zinc/31/41/16/1443314116.db2.gz ZIBIOBABZLXEBF-UHFFFAOYSA-N 0 1 376.283 3.249 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCc2ccsc2C1 ZINC000823821750 1443314120 /nfs/dbraw/zinc/31/41/20/1443314120.db2.gz ZIBIOBABZLXEBF-UHFFFAOYSA-N 0 1 376.283 3.249 20 0 GGADMN c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826517441 1443315247 /nfs/dbraw/zinc/31/52/47/1443315247.db2.gz CGUZWKAMZDRMKP-KRWDZBQOSA-N 0 1 391.475 3.276 20 0 GGADMN COc1cc(C)c(C[N@@H+](C)CCCOc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821708420 1443316361 /nfs/dbraw/zinc/31/63/61/1443316361.db2.gz POPHZACPPYBPMU-UHFFFAOYSA-N 0 1 397.479 3.093 20 0 GGADMN COc1cc(C)c(C[N@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708420 1443316363 /nfs/dbraw/zinc/31/63/63/1443316363.db2.gz POPHZACPPYBPMU-UHFFFAOYSA-N 0 1 397.479 3.093 20 0 GGADMN COc1cc(C)c(C[N@@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708420 1443316366 /nfs/dbraw/zinc/31/63/66/1443316366.db2.gz POPHZACPPYBPMU-UHFFFAOYSA-N 0 1 397.479 3.093 20 0 GGADMN CC[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(OC)cc1 ZINC000825146301 1443332567 /nfs/dbraw/zinc/33/25/67/1443332567.db2.gz BYLLOUUGIHKLLP-QGZVFWFLSA-N 0 1 391.435 3.166 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000821105044 1443335516 /nfs/dbraw/zinc/33/55/16/1443335516.db2.gz WHQHPOXNAQAPTG-UZLBHIALSA-N 0 1 390.491 3.256 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000821105044 1443335518 /nfs/dbraw/zinc/33/55/18/1443335518.db2.gz WHQHPOXNAQAPTG-UZLBHIALSA-N 0 1 390.491 3.256 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000822351200 1443338271 /nfs/dbraw/zinc/33/82/71/1443338271.db2.gz LOYLCZYVXBEXMM-HXUWFJFHSA-N 0 1 379.464 3.018 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000822351200 1443338276 /nfs/dbraw/zinc/33/82/76/1443338276.db2.gz LOYLCZYVXBEXMM-HXUWFJFHSA-N 0 1 379.464 3.018 20 0 GGADMN CCCCC[C@@H](C)NC(=O)C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825265869 1443344572 /nfs/dbraw/zinc/34/45/72/1443344572.db2.gz CDOBDHAGGARDRO-MRXNPFEDSA-N 0 1 382.512 3.041 20 0 GGADMN CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825265869 1443344577 /nfs/dbraw/zinc/34/45/77/1443344577.db2.gz CDOBDHAGGARDRO-MRXNPFEDSA-N 0 1 382.512 3.041 20 0 GGADMN C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824594022 1443387068 /nfs/dbraw/zinc/38/70/68/1443387068.db2.gz VRSAMQKNLULOPT-LBPRGKRZSA-N 0 1 391.401 3.433 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820412860 1443387832 /nfs/dbraw/zinc/38/78/32/1443387832.db2.gz MWZMEFSRZHWOQY-ZIAGYGMSSA-N 0 1 378.436 3.235 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000822505525 1443397271 /nfs/dbraw/zinc/39/72/71/1443397271.db2.gz MTDOIXQMYJXGEV-SFHVURJKSA-N 0 1 380.500 3.292 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555943 1443397662 /nfs/dbraw/zinc/39/76/62/1443397662.db2.gz YUTISZPAJZLDGV-BXUZGUMPSA-N 0 1 388.397 3.214 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]C[C@@H]3CCCCO3)c2)c1 ZINC000738411066 1443420021 /nfs/dbraw/zinc/42/00/21/1443420021.db2.gz QGXPJSTVKNSUIE-IBGZPJMESA-N 0 1 379.464 3.104 20 0 GGADMN CC(C)(CCc1ccccc1)[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000819981384 1443430688 /nfs/dbraw/zinc/43/06/88/1443430688.db2.gz TZGYDJJMKXFXTB-UHFFFAOYSA-N 0 1 384.509 3.258 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736133557 1443444846 /nfs/dbraw/zinc/44/48/46/1443444846.db2.gz HWDNJOGKSKQFNB-HUUCEWRRSA-N 0 1 386.500 3.164 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736401820 1443454548 /nfs/dbraw/zinc/45/45/48/1443454548.db2.gz YNMZMMBALIMMHG-ZDUSSCGKSA-N 0 1 393.948 3.071 20 0 GGADMN CC[C@H]1CCCC[N@@H+]1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736401820 1443454551 /nfs/dbraw/zinc/45/45/51/1443454551.db2.gz YNMZMMBALIMMHG-ZDUSSCGKSA-N 0 1 393.948 3.071 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736401820 1443454552 /nfs/dbraw/zinc/45/45/52/1443454552.db2.gz YNMZMMBALIMMHG-ZDUSSCGKSA-N 0 1 393.948 3.071 20 0 GGADMN C[N@H+]1CC[C@@H](CNc2cnccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022794 1443463435 /nfs/dbraw/zinc/46/34/35/1443463435.db2.gz RRAAXYZSIFOCIM-YVEFUNNKSA-N 0 1 387.850 3.159 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000824584496 1443468076 /nfs/dbraw/zinc/46/80/76/1443468076.db2.gz BMPCGPAAWPZVRW-VIFPVBQESA-N 0 1 394.863 3.400 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826305612 1443480831 /nfs/dbraw/zinc/48/08/31/1443480831.db2.gz CVIYYZBABRQZFK-UHFFFAOYSA-N 0 1 377.452 3.203 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826305612 1443480833 /nfs/dbraw/zinc/48/08/33/1443480833.db2.gz CVIYYZBABRQZFK-UHFFFAOYSA-N 0 1 377.452 3.203 20 0 GGADMN C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2sccc2C1 ZINC000824571817 1443483750 /nfs/dbraw/zinc/48/37/50/1443483750.db2.gz SADSEYXIBDBTBS-CHWSQXEVSA-N 0 1 386.500 3.165 20 0 GGADMN Cn1cc(C[NH2+]CC2(c3ccccc3)CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361407 1443487899 /nfs/dbraw/zinc/48/78/99/1443487899.db2.gz WCKDRTFYEZKACZ-UHFFFAOYSA-N 0 1 385.475 3.089 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826208516 1443489432 /nfs/dbraw/zinc/48/94/32/1443489432.db2.gz OFTSBXWNMMOOIN-GUYCJALGSA-N 0 1 398.898 3.458 20 0 GGADMN COc1cccc(C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2F)C[C@H]2CCCO2)c1 ZINC000826216170 1443494645 /nfs/dbraw/zinc/49/46/45/1443494645.db2.gz NCLDKKVLLKERTC-GOSISDBHSA-N 0 1 397.454 3.196 20 0 GGADMN COc1cccc(C[N@H+](Cc2cccc(-c3nnn[n-]3)c2F)C[C@H]2CCCO2)c1 ZINC000826216170 1443494649 /nfs/dbraw/zinc/49/46/49/1443494649.db2.gz NCLDKKVLLKERTC-GOSISDBHSA-N 0 1 397.454 3.196 20 0 GGADMN CC[N@@H+](Cc1ccccc1CC(=O)OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439903 1443497203 /nfs/dbraw/zinc/49/72/03/1443497203.db2.gz SSTULQAWAWICNL-OAHLLOKOSA-N 0 1 379.464 3.165 20 0 GGADMN CC[N@H+](Cc1ccccc1CC(=O)OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439903 1443497205 /nfs/dbraw/zinc/49/72/05/1443497205.db2.gz SSTULQAWAWICNL-OAHLLOKOSA-N 0 1 379.464 3.165 20 0 GGADMN CC[N@@H+](Cc1ccccc1CC(=O)OC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439903 1443497208 /nfs/dbraw/zinc/49/72/08/1443497208.db2.gz SSTULQAWAWICNL-OAHLLOKOSA-N 0 1 379.464 3.165 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825412798 1443503744 /nfs/dbraw/zinc/50/37/44/1443503744.db2.gz UTHYUYNEUWRJSS-UHFFFAOYSA-N 0 1 388.516 3.411 20 0 GGADMN CC(C)CC[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820072105 1443506951 /nfs/dbraw/zinc/50/69/51/1443506951.db2.gz BODALYHFPSJMFM-CQSZACIVSA-N 0 1 376.892 3.359 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000826274235 1443516429 /nfs/dbraw/zinc/51/64/29/1443516429.db2.gz KXHPAVHOYRRFCA-AZUAARDMSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000826274235 1443516432 /nfs/dbraw/zinc/51/64/32/1443516432.db2.gz KXHPAVHOYRRFCA-AZUAARDMSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000826274235 1443516435 /nfs/dbraw/zinc/51/64/35/1443516435.db2.gz KXHPAVHOYRRFCA-AZUAARDMSA-N 0 1 389.507 3.061 20 0 GGADMN CC[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825139290 1443521070 /nfs/dbraw/zinc/52/10/70/1443521070.db2.gz DLLMUJHSXIVZBW-AWEZNQCLSA-N 0 1 392.435 3.276 20 0 GGADMN Cc1ccc(N2CCCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CC2)cc1 ZINC000826290634 1443523177 /nfs/dbraw/zinc/52/31/77/1443523177.db2.gz SMITVJSQHXWAFG-UHFFFAOYSA-N 0 1 389.507 3.166 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]2CCCO2)cc1 ZINC000826287389 1443527572 /nfs/dbraw/zinc/52/75/72/1443527572.db2.gz NBOWQIKVMPJMNL-QGZVFWFLSA-N 0 1 383.521 3.460 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736226915 1443529477 /nfs/dbraw/zinc/52/94/77/1443529477.db2.gz JHVTVMDEYVOZLL-CHWSQXEVSA-N 0 1 397.449 3.451 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000826169617 1443534974 /nfs/dbraw/zinc/53/49/74/1443534974.db2.gz YKQNBZKYTHUZPW-HOTGVXAUSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000826169617 1443534976 /nfs/dbraw/zinc/53/49/76/1443534976.db2.gz YKQNBZKYTHUZPW-HOTGVXAUSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000826169617 1443534979 /nfs/dbraw/zinc/53/49/79/1443534979.db2.gz YKQNBZKYTHUZPW-HOTGVXAUSA-N 0 1 385.493 3.025 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)CC3 ZINC000737372756 1443538796 /nfs/dbraw/zinc/53/87/96/1443538796.db2.gz JQCLCZBQPYODPJ-UHFFFAOYSA-N 0 1 383.459 3.467 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)CC3 ZINC000737372756 1443538799 /nfs/dbraw/zinc/53/87/99/1443538799.db2.gz JQCLCZBQPYODPJ-UHFFFAOYSA-N 0 1 383.459 3.467 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539883 1443544823 /nfs/dbraw/zinc/54/48/23/1443544823.db2.gz QMTPRVHULRJBQX-KUHUBIRLSA-N 0 1 391.454 3.374 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000737407610 1443556342 /nfs/dbraw/zinc/55/63/42/1443556342.db2.gz DCNPKESIUYKQED-UHFFFAOYSA-N 0 1 399.502 3.353 20 0 GGADMN CC1CC[NH+](Cc2ccccc2CNCc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820727897 1443558272 /nfs/dbraw/zinc/55/82/72/1443558272.db2.gz QJVRCVGKBGVAJN-UHFFFAOYSA-N 0 1 382.537 3.450 20 0 GGADMN CC1CC[NH+](Cc2ccccc2CNCc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820727897 1443558274 /nfs/dbraw/zinc/55/82/74/1443558274.db2.gz QJVRCVGKBGVAJN-UHFFFAOYSA-N 0 1 382.537 3.450 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000825639182 1443560246 /nfs/dbraw/zinc/56/02/46/1443560246.db2.gz SPLSIPMTYWTRHB-IBGZPJMESA-N 0 1 389.463 3.250 20 0 GGADMN COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826218943 1443569528 /nfs/dbraw/zinc/56/95/28/1443569528.db2.gz OXAVJQMLQUZMBG-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824614251 1443576818 /nfs/dbraw/zinc/57/68/18/1443576818.db2.gz ZYGBLGPGAUVOIT-GFCCVEGCSA-N 0 1 381.390 3.181 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825946405 1443583776 /nfs/dbraw/zinc/58/37/76/1443583776.db2.gz WVJPTHCWDOPFSX-UHFFFAOYSA-N 0 1 378.299 3.365 20 0 GGADMN C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825946405 1443583779 /nfs/dbraw/zinc/58/37/79/1443583779.db2.gz WVJPTHCWDOPFSX-UHFFFAOYSA-N 0 1 378.299 3.365 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825946405 1443583784 /nfs/dbraw/zinc/58/37/84/1443583784.db2.gz WVJPTHCWDOPFSX-UHFFFAOYSA-N 0 1 378.299 3.365 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736471946 1443587947 /nfs/dbraw/zinc/58/79/47/1443587947.db2.gz QJEAGJKVEUKMLE-UHFFFAOYSA-N 0 1 379.464 3.456 20 0 GGADMN CCC[N@H+](CC)Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736471946 1443587951 /nfs/dbraw/zinc/58/79/51/1443587951.db2.gz QJEAGJKVEUKMLE-UHFFFAOYSA-N 0 1 379.464 3.456 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736471946 1443587952 /nfs/dbraw/zinc/58/79/52/1443587952.db2.gz QJEAGJKVEUKMLE-UHFFFAOYSA-N 0 1 379.464 3.456 20 0 GGADMN CCCCn1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc23)c(C)n1 ZINC000825302222 1443591253 /nfs/dbraw/zinc/59/12/53/1443591253.db2.gz YMRGGHHXKCKKOF-UHFFFAOYSA-N 0 1 376.468 3.062 20 0 GGADMN Cc1c(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822095700 1443593498 /nfs/dbraw/zinc/59/34/98/1443593498.db2.gz HFTAJNJAPOSQIX-UHFFFAOYSA-N 0 1 385.516 3.055 20 0 GGADMN CC(C)COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824272125 1443596140 /nfs/dbraw/zinc/59/61/40/1443596140.db2.gz UKOIOABVOIVLNM-NRFANRHFSA-N 0 1 393.491 3.475 20 0 GGADMN CC(C)COc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824272125 1443596141 /nfs/dbraw/zinc/59/61/41/1443596141.db2.gz UKOIOABVOIVLNM-NRFANRHFSA-N 0 1 393.491 3.475 20 0 GGADMN Cc1c(Cl)cnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826236884 1443606988 /nfs/dbraw/zinc/60/69/88/1443606988.db2.gz FWVGOYVPJPMSSP-AWEZNQCLSA-N 0 1 397.914 3.324 20 0 GGADMN Cc1c(Cl)cnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826236884 1443606991 /nfs/dbraw/zinc/60/69/91/1443606991.db2.gz FWVGOYVPJPMSSP-AWEZNQCLSA-N 0 1 397.914 3.324 20 0 GGADMN Cc1c(Cl)cnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826236884 1443606995 /nfs/dbraw/zinc/60/69/95/1443606995.db2.gz FWVGOYVPJPMSSP-AWEZNQCLSA-N 0 1 397.914 3.324 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507312 1443609322 /nfs/dbraw/zinc/60/93/22/1443609322.db2.gz WJLBPYNAOKLIEM-GXTWGEPZSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824507312 1443609325 /nfs/dbraw/zinc/60/93/25/1443609325.db2.gz WJLBPYNAOKLIEM-GXTWGEPZSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824507312 1443609329 /nfs/dbraw/zinc/60/93/29/1443609329.db2.gz WJLBPYNAOKLIEM-GXTWGEPZSA-N 0 1 392.529 3.196 20 0 GGADMN COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218916 1443632509 /nfs/dbraw/zinc/63/25/09/1443632509.db2.gz NZKGLUIMTLJULM-OALUTQOASA-N 0 1 381.480 3.286 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826341212 1443633159 /nfs/dbraw/zinc/63/31/59/1443633159.db2.gz AJGONPMZSAVXBO-QGZVFWFLSA-N 0 1 392.463 3.167 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826341212 1443633161 /nfs/dbraw/zinc/63/31/61/1443633161.db2.gz AJGONPMZSAVXBO-QGZVFWFLSA-N 0 1 392.463 3.167 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613055 1443637300 /nfs/dbraw/zinc/63/73/00/1443637300.db2.gz RHVIPUYADZMAAV-AWEZNQCLSA-N 0 1 394.454 3.093 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820758910 1443639199 /nfs/dbraw/zinc/63/91/99/1443639199.db2.gz FTBOUWJZEDGXHY-HNAYVOBHSA-N 0 1 389.507 3.073 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820758910 1443639201 /nfs/dbraw/zinc/63/92/01/1443639201.db2.gz FTBOUWJZEDGXHY-HNAYVOBHSA-N 0 1 389.507 3.073 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820758910 1443639204 /nfs/dbraw/zinc/63/92/04/1443639204.db2.gz FTBOUWJZEDGXHY-HNAYVOBHSA-N 0 1 389.507 3.073 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1-c1nnn[n-]1 ZINC000826311813 1443640617 /nfs/dbraw/zinc/64/06/17/1443640617.db2.gz OHXWEITXAXRYDV-CQSZACIVSA-N 0 1 390.369 3.167 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547803 1443641389 /nfs/dbraw/zinc/64/13/89/1443641389.db2.gz SIWOYSXRBZBLIM-PBHICJAKSA-N 0 1 398.461 3.460 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC000825464849 1443641979 /nfs/dbraw/zinc/64/19/79/1443641979.db2.gz DVJQIGYMAGNQHZ-OAHLLOKOSA-N 0 1 395.486 3.321 20 0 GGADMN COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826220568 1443642958 /nfs/dbraw/zinc/64/29/58/1443642958.db2.gz RSSVAWKUQGNMAO-JKSUJKDBSA-N 0 1 378.480 3.052 20 0 GGADMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824536953 1443646750 /nfs/dbraw/zinc/64/67/50/1443646750.db2.gz AVGNHDVHXXFVEJ-VKJFTORMSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536953 1443646752 /nfs/dbraw/zinc/64/67/52/1443646752.db2.gz AVGNHDVHXXFVEJ-VKJFTORMSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536953 1443646754 /nfs/dbraw/zinc/64/67/54/1443646754.db2.gz AVGNHDVHXXFVEJ-VKJFTORMSA-N 0 1 380.471 3.319 20 0 GGADMN CN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821607392 1443653839 /nfs/dbraw/zinc/65/38/39/1443653839.db2.gz MNKDCWGWQALCTJ-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821607392 1443653842 /nfs/dbraw/zinc/65/38/42/1443653842.db2.gz MNKDCWGWQALCTJ-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821607392 1443653847 /nfs/dbraw/zinc/65/38/47/1443653847.db2.gz MNKDCWGWQALCTJ-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(C)c1 ZINC000826288391 1443656349 /nfs/dbraw/zinc/65/63/49/1443656349.db2.gz FKBWUMLORGUCMR-UHFFFAOYSA-N 0 1 378.480 3.358 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000822505297 1443661373 /nfs/dbraw/zinc/66/13/73/1443661373.db2.gz HFGZPIZVQYSGRV-INIZCTEOSA-N 0 1 380.500 3.149 20 0 GGADMN Cc1cccc(C(C)(C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000826296201 1443666233 /nfs/dbraw/zinc/66/62/33/1443666233.db2.gz MPZKBAHPGYCWKV-UHFFFAOYSA-N 0 1 375.436 3.250 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824569946 1443668201 /nfs/dbraw/zinc/66/82/01/1443668201.db2.gz LDVJGMUYIYCPQS-LRDDRELGSA-N 0 1 391.397 3.140 20 0 GGADMN Cc1ccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335324 1443669865 /nfs/dbraw/zinc/66/98/65/1443669865.db2.gz SAHZQUFEHILCMY-SFHVURJKSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335324 1443669869 /nfs/dbraw/zinc/66/98/69/1443669869.db2.gz SAHZQUFEHILCMY-SFHVURJKSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335324 1443669874 /nfs/dbraw/zinc/66/98/74/1443669874.db2.gz SAHZQUFEHILCMY-SFHVURJKSA-N 0 1 390.491 3.211 20 0 GGADMN CC(C)(CNc1ncc(-c2nnn[n-]2)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000735671070 1443672903 /nfs/dbraw/zinc/67/29/03/1443672903.db2.gz KZUIKWNUNRCDFK-UHFFFAOYSA-N 0 1 383.887 3.164 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139094548 1443677032 /nfs/dbraw/zinc/67/70/32/1443677032.db2.gz DMQWUVAUSUJAJR-IAGOWNOFSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139094548 1443677034 /nfs/dbraw/zinc/67/70/34/1443677034.db2.gz DMQWUVAUSUJAJR-IAGOWNOFSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139094548 1443677037 /nfs/dbraw/zinc/67/70/37/1443677037.db2.gz DMQWUVAUSUJAJR-IAGOWNOFSA-N 0 1 386.500 3.134 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CC(=O)N2C ZINC000824546442 1443679032 /nfs/dbraw/zinc/67/90/32/1443679032.db2.gz JBIMCMADISBHMS-BFUOFWGJSA-N 0 1 388.475 3.114 20 0 GGADMN OCCC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000823722604 1443682653 /nfs/dbraw/zinc/68/26/53/1443682653.db2.gz STKCIZQVSHKSQM-FQEVSTJZSA-N 0 1 381.455 3.268 20 0 GGADMN OCCC[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC000823722604 1443682657 /nfs/dbraw/zinc/68/26/57/1443682657.db2.gz STKCIZQVSHKSQM-FQEVSTJZSA-N 0 1 381.455 3.268 20 0 GGADMN OCCC[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC000823722604 1443682662 /nfs/dbraw/zinc/68/26/62/1443682662.db2.gz STKCIZQVSHKSQM-FQEVSTJZSA-N 0 1 381.455 3.268 20 0 GGADMN CC[C@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820945844 1443692312 /nfs/dbraw/zinc/69/23/12/1443692312.db2.gz YLHMVTGUBOEBPN-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820945844 1443692314 /nfs/dbraw/zinc/69/23/14/1443692314.db2.gz YLHMVTGUBOEBPN-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820945844 1443692316 /nfs/dbraw/zinc/69/23/16/1443692316.db2.gz YLHMVTGUBOEBPN-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820945844 1443692318 /nfs/dbraw/zinc/69/23/18/1443692318.db2.gz YLHMVTGUBOEBPN-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000824052344 1443692825 /nfs/dbraw/zinc/69/28/25/1443692825.db2.gz NLDPMWCVGYSBMO-RYUDHWBXSA-N 0 1 388.541 3.112 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554979 1443701413 /nfs/dbraw/zinc/70/14/13/1443701413.db2.gz UEAFUEYZQSCDPH-DGCLKSJQSA-N 0 1 388.397 3.214 20 0 GGADMN c1ccc(CCC[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826521746 1443707137 /nfs/dbraw/zinc/70/71/37/1443707137.db2.gz XKOHTNSPQKFROM-UHFFFAOYSA-N 0 1 376.508 3.054 20 0 GGADMN Cc1cccc2c(NC[C@@H](C)Oc3ccccc3F)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822334933 1443716223 /nfs/dbraw/zinc/71/62/23/1443716223.db2.gz IAKFNOIVUNZQBF-CYBMUJFWSA-N 0 1 378.411 3.164 20 0 GGADMN C[N@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1Cl ZINC000736792739 1443727829 /nfs/dbraw/zinc/72/78/29/1443727829.db2.gz MQLFSTZFBCNSDF-UHFFFAOYSA-N 0 1 388.834 3.120 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1Cl ZINC000736792739 1443727832 /nfs/dbraw/zinc/72/78/32/1443727832.db2.gz MQLFSTZFBCNSDF-UHFFFAOYSA-N 0 1 388.834 3.120 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(OCc2ccccn2)c1 ZINC000825961185 1443735394 /nfs/dbraw/zinc/73/53/94/1443735394.db2.gz BSMPQONRZZBQMI-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680918 1443738471 /nfs/dbraw/zinc/73/84/71/1443738471.db2.gz BIUCMKVCPPVFOC-DLBZAZTESA-N 0 1 392.488 3.347 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000820717105 1443740762 /nfs/dbraw/zinc/74/07/62/1443740762.db2.gz NWGFKABPJYWEJX-AGIUHOORSA-N 0 1 388.541 3.254 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822558091 1443750449 /nfs/dbraw/zinc/75/04/49/1443750449.db2.gz MKJPTLSPFSSRLT-CJNGLKHVSA-N 0 1 396.520 3.362 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821614429 1443752895 /nfs/dbraw/zinc/75/28/95/1443752895.db2.gz FUCURZLBDQFGQD-KRWDZBQOSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821614429 1443752898 /nfs/dbraw/zinc/75/28/98/1443752898.db2.gz FUCURZLBDQFGQD-KRWDZBQOSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821614429 1443752902 /nfs/dbraw/zinc/75/29/02/1443752902.db2.gz FUCURZLBDQFGQD-KRWDZBQOSA-N 0 1 385.475 3.126 20 0 GGADMN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820236027 1443757725 /nfs/dbraw/zinc/75/77/25/1443757725.db2.gz WENFOYHRNUQSSW-VQIMIIECSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820414545 1443760303 /nfs/dbraw/zinc/76/03/03/1443760303.db2.gz ZBBCLXXURYWANG-GJZGRUSLSA-N 0 1 376.464 3.405 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826304548 1443763500 /nfs/dbraw/zinc/76/35/00/1443763500.db2.gz PFHRJROEQYUMMB-HZPDHXFCSA-N 0 1 378.480 3.366 20 0 GGADMN FC(F)(F)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822723618 1443769171 /nfs/dbraw/zinc/76/91/71/1443769171.db2.gz HZHPNWPEUBRPRG-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN FC(F)(F)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723618 1443769174 /nfs/dbraw/zinc/76/91/74/1443769174.db2.gz HZHPNWPEUBRPRG-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN FC(F)(F)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723618 1443769175 /nfs/dbraw/zinc/76/91/75/1443769175.db2.gz HZHPNWPEUBRPRG-UHFFFAOYSA-N 0 1 380.418 3.340 20 0 GGADMN C[C@H](C[C@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)NC(=O)OC(C)(C)C ZINC000824394322 1443776648 /nfs/dbraw/zinc/77/66/48/1443776648.db2.gz XNTLGPUBCINRIG-KGLIPLIRSA-N 0 1 386.500 3.137 20 0 GGADMN C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662537 1443785215 /nfs/dbraw/zinc/78/52/15/1443785215.db2.gz MMOAHKYVAXPWMD-MRXNPFEDSA-N 0 1 392.507 3.244 20 0 GGADMN CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821169696 1443785812 /nfs/dbraw/zinc/78/58/12/1443785812.db2.gz BASQTNCBCGCCEO-HNAYVOBHSA-N 0 1 378.480 3.127 20 0 GGADMN CS[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821950080 1443790919 /nfs/dbraw/zinc/79/09/19/1443790919.db2.gz KROFYFNPUZGNRK-GXSJLCMTSA-N 0 1 392.435 3.134 20 0 GGADMN CC(C)[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1nc(C2CC2)no1 ZINC000824199981 1443806310 /nfs/dbraw/zinc/80/63/10/1443806310.db2.gz NJIYLEVRAWFTSN-IAGOWNOFSA-N 0 1 379.468 3.491 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824385451 1443810919 /nfs/dbraw/zinc/81/09/19/1443810919.db2.gz UFNPMXIGYAMGLR-ZDUSSCGKSA-N 0 1 380.427 3.002 20 0 GGADMN Clc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC000737576250 1443821034 /nfs/dbraw/zinc/82/10/34/1443821034.db2.gz ZXCXPPYRTBROED-UHFFFAOYSA-N 0 1 383.887 3.034 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853380 1443826092 /nfs/dbraw/zinc/82/60/92/1443826092.db2.gz BHUUNSLJPUVXKR-FQEVSTJZSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853380 1443826095 /nfs/dbraw/zinc/82/60/95/1443826095.db2.gz BHUUNSLJPUVXKR-FQEVSTJZSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853380 1443826099 /nfs/dbraw/zinc/82/60/99/1443826099.db2.gz BHUUNSLJPUVXKR-FQEVSTJZSA-N 0 1 386.500 3.088 20 0 GGADMN CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000821088147 1443851014 /nfs/dbraw/zinc/85/10/14/1443851014.db2.gz KOBVDLXLZROWNN-UHFFFAOYSA-N 0 1 384.509 3.396 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000821088147 1443851016 /nfs/dbraw/zinc/85/10/16/1443851016.db2.gz KOBVDLXLZROWNN-UHFFFAOYSA-N 0 1 384.509 3.396 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820761742 1443860457 /nfs/dbraw/zinc/86/04/57/1443860457.db2.gz ZBHMSDOAOQOKKB-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820761742 1443860459 /nfs/dbraw/zinc/86/04/59/1443860459.db2.gz ZBHMSDOAOQOKKB-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820761742 1443860461 /nfs/dbraw/zinc/86/04/61/1443860461.db2.gz ZBHMSDOAOQOKKB-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824532482 1443862237 /nfs/dbraw/zinc/86/22/37/1443862237.db2.gz UTUDUQIJCYSJFB-MGPUTAFESA-N 0 1 380.471 3.494 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736235369 1443868184 /nfs/dbraw/zinc/86/81/84/1443868184.db2.gz NUPPMYDPGJYRSB-YJBOKZPZSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736235369 1443868187 /nfs/dbraw/zinc/86/81/87/1443868187.db2.gz NUPPMYDPGJYRSB-YJBOKZPZSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736235369 1443868189 /nfs/dbraw/zinc/86/81/89/1443868189.db2.gz NUPPMYDPGJYRSB-YJBOKZPZSA-N 0 1 376.464 3.073 20 0 GGADMN Cc1ccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234821 1443876857 /nfs/dbraw/zinc/87/68/57/1443876857.db2.gz IMDNPGAFWQWLOT-FQEVSTJZSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234821 1443876862 /nfs/dbraw/zinc/87/68/62/1443876862.db2.gz IMDNPGAFWQWLOT-FQEVSTJZSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234821 1443876867 /nfs/dbraw/zinc/87/68/67/1443876867.db2.gz IMDNPGAFWQWLOT-FQEVSTJZSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2C)c1-c1nnn[n-]1 ZINC000737201430 1443882198 /nfs/dbraw/zinc/88/21/98/1443882198.db2.gz FAXAFUWMCYUMRG-QWHCGFSZSA-N 0 1 385.516 3.069 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821418276 1443884392 /nfs/dbraw/zinc/88/43/92/1443884392.db2.gz YOMQEOLALLLLTO-PMACEKPBSA-N 0 1 379.464 3.136 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668490 1443898225 /nfs/dbraw/zinc/89/82/25/1443898225.db2.gz TYBSERWZMZAKNB-LIRRHRJNSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@H]1SCC[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000736305007 1443900589 /nfs/dbraw/zinc/90/05/89/1443900589.db2.gz WPHJHKOPBMWWGV-BEFAXECRSA-N 0 1 381.505 3.424 20 0 GGADMN C[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1Cl ZINC000736793213 1443901007 /nfs/dbraw/zinc/90/10/07/1443901007.db2.gz UGSDJESNKHUYOY-UHFFFAOYSA-N 0 1 388.834 3.120 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1Cl ZINC000736793213 1443901009 /nfs/dbraw/zinc/90/10/09/1443901009.db2.gz UGSDJESNKHUYOY-UHFFFAOYSA-N 0 1 388.834 3.120 20 0 GGADMN CCOc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825654054 1443904034 /nfs/dbraw/zinc/90/40/34/1443904034.db2.gz NLPIINVUSLHRKV-GFCCVEGCSA-N 0 1 386.481 3.006 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-n2cncn2)cc1Cl ZINC000820428595 1443906407 /nfs/dbraw/zinc/90/64/07/1443906407.db2.gz YGODRIXSYLCIIU-NSHDSACASA-N 0 1 398.833 3.091 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334407 1443907116 /nfs/dbraw/zinc/90/71/16/1443907116.db2.gz HFXIQJQKSVZAPG-MRXNPFEDSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334407 1443907118 /nfs/dbraw/zinc/90/71/18/1443907118.db2.gz HFXIQJQKSVZAPG-MRXNPFEDSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334407 1443907121 /nfs/dbraw/zinc/90/71/21/1443907121.db2.gz HFXIQJQKSVZAPG-MRXNPFEDSA-N 0 1 378.480 3.067 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680956 1443912803 /nfs/dbraw/zinc/91/28/03/1443912803.db2.gz BNFZEOIRCMRTKB-MJGOQNOKSA-N 0 1 383.883 3.261 20 0 GGADMN O[C@@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680956 1443912804 /nfs/dbraw/zinc/91/28/04/1443912804.db2.gz BNFZEOIRCMRTKB-MJGOQNOKSA-N 0 1 383.883 3.261 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680956 1443912806 /nfs/dbraw/zinc/91/28/06/1443912806.db2.gz BNFZEOIRCMRTKB-MJGOQNOKSA-N 0 1 383.883 3.261 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547902 1443925014 /nfs/dbraw/zinc/92/50/14/1443925014.db2.gz UEYRPWRZAYIBIF-CZUORRHYSA-N 0 1 384.434 3.465 20 0 GGADMN Fc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1Br ZINC000737647407 1443928505 /nfs/dbraw/zinc/92/85/05/1443928505.db2.gz DONHZUXJRIXKGI-UHFFFAOYSA-N 0 1 380.196 3.197 20 0 GGADMN COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826181360 1443931807 /nfs/dbraw/zinc/93/18/07/1443931807.db2.gz WCOKPFSGDFEFKI-CQSZACIVSA-N 0 1 383.452 3.004 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737336649 1443932153 /nfs/dbraw/zinc/93/21/53/1443932153.db2.gz ZXSBBHXMPPMZHT-AWEZNQCLSA-N 0 1 384.509 3.128 20 0 GGADMN Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737336649 1443932155 /nfs/dbraw/zinc/93/21/55/1443932155.db2.gz ZXSBBHXMPPMZHT-AWEZNQCLSA-N 0 1 384.509 3.128 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737336649 1443932158 /nfs/dbraw/zinc/93/21/58/1443932158.db2.gz ZXSBBHXMPPMZHT-AWEZNQCLSA-N 0 1 384.509 3.128 20 0 GGADMN Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)c1C ZINC000737390671 1443941329 /nfs/dbraw/zinc/94/13/29/1443941329.db2.gz UVVWGQWJACBNCL-INIZCTEOSA-N 0 1 382.493 3.321 20 0 GGADMN Cc1ccc([C@H]2CSCC[N@H+]2CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737334179 1443949641 /nfs/dbraw/zinc/94/96/41/1443949641.db2.gz YIBDQRFCMKQYJN-LJQANCHMSA-N 0 1 381.505 3.344 20 0 GGADMN CN(Cc1cc(Br)cn1C)c1c(-c2nnn[n-]2)c[nH+]c2ccccc21 ZINC000821607671 1443956022 /nfs/dbraw/zinc/95/60/22/1443956022.db2.gz ZBYXEFSLUJZJPB-UHFFFAOYSA-N 0 1 398.268 3.152 20 0 GGADMN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738117461 1443959055 /nfs/dbraw/zinc/95/90/55/1443959055.db2.gz QXMMZLBWONIJSY-UHFFFAOYSA-N 0 1 390.491 3.173 20 0 GGADMN CC[C@H]1COCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825220019 1443959649 /nfs/dbraw/zinc/95/96/49/1443959649.db2.gz ONVDBCTUKVKRFZ-IBGZPJMESA-N 0 1 379.464 3.057 20 0 GGADMN CC[C@H]1COCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825220019 1443959653 /nfs/dbraw/zinc/95/96/53/1443959653.db2.gz ONVDBCTUKVKRFZ-IBGZPJMESA-N 0 1 379.464 3.057 20 0 GGADMN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824571684 1443967159 /nfs/dbraw/zinc/96/71/59/1443967159.db2.gz QYOKLAVCSPSVOM-BLLLJJGKSA-N 0 1 392.479 3.206 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1cccs1 ZINC000821623598 1443979313 /nfs/dbraw/zinc/97/93/13/1443979313.db2.gz NYTHUXFGNMBCHK-MEDUHNTESA-N 0 1 389.916 3.472 20 0 GGADMN C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1c1cccs1 ZINC000821623598 1443979315 /nfs/dbraw/zinc/97/93/15/1443979315.db2.gz NYTHUXFGNMBCHK-MEDUHNTESA-N 0 1 389.916 3.472 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1c1cccs1 ZINC000821623598 1443979316 /nfs/dbraw/zinc/97/93/16/1443979316.db2.gz NYTHUXFGNMBCHK-MEDUHNTESA-N 0 1 389.916 3.472 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1Cl ZINC000820420552 1443985488 /nfs/dbraw/zinc/98/54/88/1443985488.db2.gz SRZRVLBQIALKQI-YGRLFVJLSA-N 0 1 388.884 3.038 20 0 GGADMN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824598093 1443993681 /nfs/dbraw/zinc/99/36/81/1443993681.db2.gz BMOMYSCHOYAZCH-HNNXBMFYSA-N 0 1 399.520 3.008 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000822486565 1444015907 /nfs/dbraw/zinc/01/59/07/1444015907.db2.gz PDLLDAJLZAKCPL-UHFFFAOYSA-N 0 1 379.493 3.145 20 0 GGADMN CN(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1c(F)cccc1F ZINC000825851118 1444023630 /nfs/dbraw/zinc/02/36/30/1444023630.db2.gz UTBIJNBGLNKUIX-MOPGFXCFSA-N 0 1 398.461 3.415 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000821614615 1444027330 /nfs/dbraw/zinc/02/73/30/1444027330.db2.gz NJCGLWBUTXODFW-SFHVURJKSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821614615 1444027334 /nfs/dbraw/zinc/02/73/34/1444027334.db2.gz NJCGLWBUTXODFW-SFHVURJKSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821614615 1444027336 /nfs/dbraw/zinc/02/73/36/1444027336.db2.gz NJCGLWBUTXODFW-SFHVURJKSA-N 0 1 385.475 3.126 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736352668 1444028271 /nfs/dbraw/zinc/02/82/71/1444028271.db2.gz UUXXYACXYDFPSG-IBGZPJMESA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736352668 1444028272 /nfs/dbraw/zinc/02/82/72/1444028272.db2.gz UUXXYACXYDFPSG-IBGZPJMESA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736352668 1444028274 /nfs/dbraw/zinc/02/82/74/1444028274.db2.gz UUXXYACXYDFPSG-IBGZPJMESA-N 0 1 378.480 3.148 20 0 GGADMN CC(C)Oc1cccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333206 1444031300 /nfs/dbraw/zinc/03/13/00/1444031300.db2.gz GONYLDUYWDYCNM-HNNXBMFYSA-N 0 1 394.479 3.333 20 0 GGADMN Cc1ccnc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826311240 1446087923 /nfs/dbraw/zinc/08/79/23/1446087923.db2.gz YCKCVWHYNPRIFC-AWEZNQCLSA-N 0 1 383.887 3.107 20 0 GGADMN CCC[N@@H+](Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323379 1446095181 /nfs/dbraw/zinc/09/51/81/1446095181.db2.gz VFGRSTGOVOTGGN-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826265331 1446105515 /nfs/dbraw/zinc/10/55/15/1446105515.db2.gz VKWAGMCHWMNHGU-NRFANRHFSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1cc(C)cc(OCCC[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826265331 1446105516 /nfs/dbraw/zinc/10/55/16/1446105516.db2.gz VKWAGMCHWMNHGU-NRFANRHFSA-N 0 1 393.491 3.326 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401499 1446115122 /nfs/dbraw/zinc/11/51/22/1446115122.db2.gz IRXWPSMABHZCRS-HZPDHXFCSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401499 1446115127 /nfs/dbraw/zinc/11/51/27/1446115127.db2.gz IRXWPSMABHZCRS-HZPDHXFCSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401499 1446115128 /nfs/dbraw/zinc/11/51/28/1446115128.db2.gz IRXWPSMABHZCRS-HZPDHXFCSA-N 0 1 399.543 3.128 20 0 GGADMN Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826341342 1446118532 /nfs/dbraw/zinc/11/85/32/1446118532.db2.gz FDOTWUNZBFTDOR-SECBINFHSA-N 0 1 392.822 3.158 20 0 GGADMN CC(C)CCn1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000824249698 1446125324 /nfs/dbraw/zinc/12/53/24/1446125324.db2.gz SCXHZLCGJUHHSP-UHFFFAOYSA-N 0 1 394.527 3.186 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000826052684 1446133947 /nfs/dbraw/zinc/13/39/47/1446133947.db2.gz RYHDQRIKRPPIQI-GOSISDBHSA-N 0 1 391.866 3.089 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000826052684 1446133948 /nfs/dbraw/zinc/13/39/48/1446133948.db2.gz RYHDQRIKRPPIQI-GOSISDBHSA-N 0 1 391.866 3.089 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000826052684 1446133953 /nfs/dbraw/zinc/13/39/53/1446133953.db2.gz RYHDQRIKRPPIQI-GOSISDBHSA-N 0 1 391.866 3.089 20 0 GGADMN Fc1c(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cccc1-c1nnn[n-]1 ZINC000826371024 1446142498 /nfs/dbraw/zinc/14/24/98/1446142498.db2.gz PPFMSRONKDREDU-HNNXBMFYSA-N 0 1 377.427 3.020 20 0 GGADMN O=C(CC[N@H+]1CC[C@H]1c1ccccc1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822965027 1446143513 /nfs/dbraw/zinc/14/35/13/1446143513.db2.gz XHTTUBMUWWJNDG-HNNXBMFYSA-N 0 1 394.504 3.193 20 0 GGADMN CC(C)[N@H+]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296067 1446144342 /nfs/dbraw/zinc/14/43/42/1446144342.db2.gz DMIFMUQBYCYEHK-YJBOKZPZSA-N 0 1 385.422 3.176 20 0 GGADMN C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039075 1446152891 /nfs/dbraw/zinc/15/28/91/1446152891.db2.gz CKZOTTYJDOVJIP-INIZCTEOSA-N 0 1 394.523 3.041 20 0 GGADMN C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039075 1446152895 /nfs/dbraw/zinc/15/28/95/1446152895.db2.gz CKZOTTYJDOVJIP-INIZCTEOSA-N 0 1 394.523 3.041 20 0 GGADMN C[C@@H]1CN(c2ccc(CNc3c(Cl)cccc3-c3nnn[n-]3)c[nH+]2)C[C@@H](C)O1 ZINC000736290160 1446156107 /nfs/dbraw/zinc/15/61/07/1446156107.db2.gz PCJFEPSPYOCUKA-CHWSQXEVSA-N 0 1 399.886 3.141 20 0 GGADMN Fc1c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cccc1-c1nnn[n-]1 ZINC000826370992 1446162182 /nfs/dbraw/zinc/16/21/82/1446162182.db2.gz OLAVZWFQAXTPLP-MRXNPFEDSA-N 0 1 381.411 3.114 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736238455 1446170101 /nfs/dbraw/zinc/17/01/01/1446170101.db2.gz ZEBTWTOCIGXABO-UKRRQHHQSA-N 0 1 396.882 3.337 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000825985998 1446171476 /nfs/dbraw/zinc/17/14/76/1446171476.db2.gz KCDRZIBKVXEABP-UHFFFAOYSA-N 0 1 375.436 3.099 20 0 GGADMN COCCOc1cccc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826163202 1446181359 /nfs/dbraw/zinc/18/13/59/1446181359.db2.gz KGDOACZVGOFQMB-UHFFFAOYSA-N 0 1 391.475 3.181 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000826513735 1446183835 /nfs/dbraw/zinc/18/38/35/1446183835.db2.gz URYZFXACTBEEDY-FBBABVLZSA-N 0 1 380.540 3.390 20 0 GGADMN Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737307700 1446186218 /nfs/dbraw/zinc/18/62/18/1446186218.db2.gz CTDXMLMOYSOZGV-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN CC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)CC1CCN(c2ccccn2)CC1 ZINC000821222751 1446189623 /nfs/dbraw/zinc/18/96/23/1446189623.db2.gz YIESGPGOLQJPGE-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)CC1CCN(c2ccccn2)CC1 ZINC000821222751 1446189625 /nfs/dbraw/zinc/18/96/25/1446189625.db2.gz YIESGPGOLQJPGE-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)CC1CCN(c2ccccn2)CC1 ZINC000821222751 1446189626 /nfs/dbraw/zinc/18/96/26/1446189626.db2.gz YIESGPGOLQJPGE-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737511772 1446197405 /nfs/dbraw/zinc/19/74/05/1446197405.db2.gz OAYVJQAFTGAQKY-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000737511772 1446197412 /nfs/dbraw/zinc/19/74/12/1446197412.db2.gz OAYVJQAFTGAQKY-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000822136646 1446200871 /nfs/dbraw/zinc/20/08/71/1446200871.db2.gz NGZIIZGWQFEIDJ-HNNXBMFYSA-N 0 1 394.479 3.037 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826188110 1446201005 /nfs/dbraw/zinc/20/10/05/1446201005.db2.gz NWIDNKUHLJHBMY-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN Cc1c(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cccc1-c1nnn[n-]1 ZINC000822105720 1446205080 /nfs/dbraw/zinc/20/50/80/1446205080.db2.gz XAQJEIGCLZGBQJ-UHFFFAOYSA-N 0 1 391.479 3.093 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820981915 1446214935 /nfs/dbraw/zinc/21/49/35/1446214935.db2.gz XJVPNLDSSQLCPZ-CVEARBPZSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820981915 1446214938 /nfs/dbraw/zinc/21/49/38/1446214938.db2.gz XJVPNLDSSQLCPZ-CVEARBPZSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820981915 1446214940 /nfs/dbraw/zinc/21/49/40/1446214940.db2.gz XJVPNLDSSQLCPZ-CVEARBPZSA-N 0 1 399.543 3.128 20 0 GGADMN C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825923673 1446223089 /nfs/dbraw/zinc/22/30/89/1446223089.db2.gz QWTLKOHXQYHUQV-UHFFFAOYSA-N 0 1 397.870 3.069 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821207242 1446244780 /nfs/dbraw/zinc/24/47/80/1446244780.db2.gz JNYCJGSXEIOLOD-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821207242 1446244783 /nfs/dbraw/zinc/24/47/83/1446244783.db2.gz JNYCJGSXEIOLOD-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1cccc(OC)c1 ZINC000821207242 1446244786 /nfs/dbraw/zinc/24/47/86/1446244786.db2.gz JNYCJGSXEIOLOD-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN COc1cc2[nH]c(CCC[NH2+]Cc3cccc(-c4nn[n-]n4)c3)cc2c(OC)c1 ZINC000821724797 1446262709 /nfs/dbraw/zinc/26/27/09/1446262709.db2.gz YOHODKLHEBUJBD-UHFFFAOYSA-N 0 1 392.463 3.088 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821599006 1446263004 /nfs/dbraw/zinc/26/30/04/1446263004.db2.gz BOZWXJRPXOIINB-ZDUSSCGKSA-N 0 1 387.438 3.004 20 0 GGADMN CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821599006 1446263008 /nfs/dbraw/zinc/26/30/08/1446263008.db2.gz BOZWXJRPXOIINB-ZDUSSCGKSA-N 0 1 387.438 3.004 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821599006 1446263011 /nfs/dbraw/zinc/26/30/11/1446263011.db2.gz BOZWXJRPXOIINB-ZDUSSCGKSA-N 0 1 387.438 3.004 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736133553 1446264229 /nfs/dbraw/zinc/26/42/29/1446264229.db2.gz HWDNJOGKSKQFNB-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@@H]2[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000826518593 1446266879 /nfs/dbraw/zinc/26/68/79/1446266879.db2.gz SKKCDSNMFBLRSI-HKUYNNGSSA-N 0 1 383.496 3.300 20 0 GGADMN C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736125272 1446267123 /nfs/dbraw/zinc/26/71/23/1446267123.db2.gz JFMICMKATJWRQQ-ACJLOTCBSA-N 0 1 378.480 3.041 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H](c1ccccc1)C1CCCCC1)C2 ZINC000738424652 1446272720 /nfs/dbraw/zinc/27/27/20/1446272720.db2.gz HSXKDWBAJVAXMP-HNAYVOBHSA-N 0 1 392.511 3.016 20 0 GGADMN COc1ccc([C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)N2CCCCC2)cc1 ZINC000821778023 1446277341 /nfs/dbraw/zinc/27/73/41/1446277341.db2.gz RUCPRDLTKPEOLH-LJQANCHMSA-N 0 1 398.536 3.254 20 0 GGADMN Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361425 1446279717 /nfs/dbraw/zinc/27/97/17/1446279717.db2.gz WYSHBAUIOXLJKM-FQEVSTJZSA-N 0 1 385.475 3.434 20 0 GGADMN O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964898 1446287325 /nfs/dbraw/zinc/28/73/25/1446287325.db2.gz SKWZNKWUVDUMRU-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@@H+](CCc1cccc(F)c1)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964898 1446287330 /nfs/dbraw/zinc/28/73/30/1446287330.db2.gz SKWZNKWUVDUMRU-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964898 1446287335 /nfs/dbraw/zinc/28/73/35/1446287335.db2.gz SKWZNKWUVDUMRU-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]CC[C@@H]3CCCO3)c2)c1 ZINC000738410376 1446291505 /nfs/dbraw/zinc/29/15/05/1446291505.db2.gz LKFOIMVXNHWYCQ-SFHVURJKSA-N 0 1 379.464 3.104 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569051 1446304605 /nfs/dbraw/zinc/30/46/05/1446304605.db2.gz GBWIFUZRAJVABC-OAHLLOKOSA-N 0 1 394.498 3.493 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413497 1446311898 /nfs/dbraw/zinc/31/18/98/1446311898.db2.gz RAQZEEXGWYJSCN-KBPBESRZSA-N 0 1 378.436 3.235 20 0 GGADMN C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662239 1446319561 /nfs/dbraw/zinc/31/95/61/1446319561.db2.gz GIDHZSTXRKYLGV-INIZCTEOSA-N 0 1 392.507 3.244 20 0 GGADMN CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)CC1 ZINC000824858412 1446323141 /nfs/dbraw/zinc/32/31/41/1446323141.db2.gz JVFOCVGTXLIVJZ-ZDUSSCGKSA-N 0 1 386.525 3.034 20 0 GGADMN CC1=CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CC1 ZINC000824858412 1446323146 /nfs/dbraw/zinc/32/31/46/1446323146.db2.gz JVFOCVGTXLIVJZ-ZDUSSCGKSA-N 0 1 386.525 3.034 20 0 GGADMN CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)CC1 ZINC000824858412 1446323151 /nfs/dbraw/zinc/32/31/51/1446323151.db2.gz JVFOCVGTXLIVJZ-ZDUSSCGKSA-N 0 1 386.525 3.034 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000819877707 1446331340 /nfs/dbraw/zinc/33/13/40/1446331340.db2.gz ZYYJHGRTWYECLS-LZLYRXPVSA-N 0 1 390.491 3.147 20 0 GGADMN CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825406559 1446340175 /nfs/dbraw/zinc/34/01/75/1446340175.db2.gz OUSKKWLIDKCEOM-HNNXBMFYSA-N 0 1 378.480 3.200 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736798154 1446358873 /nfs/dbraw/zinc/35/88/73/1446358873.db2.gz RGQHKANXWPBWIH-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736798154 1446358878 /nfs/dbraw/zinc/35/88/78/1446358878.db2.gz RGQHKANXWPBWIH-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736798154 1446358883 /nfs/dbraw/zinc/35/88/83/1446358883.db2.gz RGQHKANXWPBWIH-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826202048 1446372802 /nfs/dbraw/zinc/37/28/02/1446372802.db2.gz MSBSOIQNHLERJL-CYBMUJFWSA-N 0 1 376.420 3.381 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000822351197 1446374455 /nfs/dbraw/zinc/37/44/55/1446374455.db2.gz LOYLCZYVXBEXMM-FQEVSTJZSA-N 0 1 379.464 3.018 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000822351197 1446374459 /nfs/dbraw/zinc/37/44/59/1446374459.db2.gz LOYLCZYVXBEXMM-FQEVSTJZSA-N 0 1 379.464 3.018 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577169 1446382717 /nfs/dbraw/zinc/38/27/17/1446382717.db2.gz HMVZYMAYKGENRQ-GXTWGEPZSA-N 0 1 390.463 3.056 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737332392 1446396208 /nfs/dbraw/zinc/39/62/08/1446396208.db2.gz UPLSMGSDTUSFLG-QGZVFWFLSA-N 0 1 380.452 3.324 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824572168 1446409827 /nfs/dbraw/zinc/40/98/27/1446409827.db2.gz TZNKCDGAUPLTMN-MEDUHNTESA-N 0 1 388.269 3.013 20 0 GGADMN COc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826194805 1446412277 /nfs/dbraw/zinc/41/22/77/1446412277.db2.gz WWSMWJOYFGNRLM-UHFFFAOYSA-N 0 1 397.454 3.196 20 0 GGADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826215138 1446415308 /nfs/dbraw/zinc/41/53/08/1446415308.db2.gz HWDQTAMAQLZQHZ-AUUYWEPGSA-N 0 1 379.464 3.467 20 0 GGADMN Cc1cc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)ccc1F ZINC000826266620 1446416563 /nfs/dbraw/zinc/41/65/63/1446416563.db2.gz WBHUMVGSHWOPMY-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1F ZINC000826266620 1446416564 /nfs/dbraw/zinc/41/65/64/1446416564.db2.gz WBHUMVGSHWOPMY-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1F ZINC000826266620 1446416565 /nfs/dbraw/zinc/41/65/65/1446416565.db2.gz WBHUMVGSHWOPMY-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826210839 1446419691 /nfs/dbraw/zinc/41/96/91/1446419691.db2.gz GZGOEGUMVWSRHH-QGZVFWFLSA-N 0 1 383.427 3.360 20 0 GGADMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826210839 1446419695 /nfs/dbraw/zinc/41/96/95/1446419695.db2.gz GZGOEGUMVWSRHH-QGZVFWFLSA-N 0 1 383.427 3.360 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821190056 1446429480 /nfs/dbraw/zinc/42/94/80/1446429480.db2.gz YMBPVBLIKXWDDD-UHFFFAOYSA-N 0 1 388.516 3.411 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668487 1446439689 /nfs/dbraw/zinc/43/96/89/1446439689.db2.gz TYBSERWZMZAKNB-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN C[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023244 1446444421 /nfs/dbraw/zinc/44/44/21/1446444421.db2.gz ZPNSLHABMDEUJS-SJKOYZFVSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023244 1446444423 /nfs/dbraw/zinc/44/44/23/1446444423.db2.gz ZPNSLHABMDEUJS-SJKOYZFVSA-N 0 1 387.850 3.159 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411777 1446448600 /nfs/dbraw/zinc/44/86/00/1446448600.db2.gz JMMLVICOUGDDMI-CABCVRRESA-N 0 1 376.464 3.405 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826311522 1446472742 /nfs/dbraw/zinc/47/27/42/1446472742.db2.gz GXGNGTFTSYRXKP-AWEZNQCLSA-N 0 1 390.369 3.167 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1OCCOC ZINC000825323470 1446473616 /nfs/dbraw/zinc/47/36/16/1446473616.db2.gz WPQQRZXLCDVFHT-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736481580 1446480145 /nfs/dbraw/zinc/48/01/45/1446480145.db2.gz WOLVJCJEDSJKMR-LZQZEXGQSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736481580 1446480148 /nfs/dbraw/zinc/48/01/48/1446480148.db2.gz WOLVJCJEDSJKMR-LZQZEXGQSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736481580 1446480151 /nfs/dbraw/zinc/48/01/51/1446480151.db2.gz WOLVJCJEDSJKMR-LZQZEXGQSA-N 0 1 380.496 3.145 20 0 GGADMN OCC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000826509163 1446487489 /nfs/dbraw/zinc/48/74/89/1446487489.db2.gz NCZFEKXSBJILNA-KRWDZBQOSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826509163 1446487493 /nfs/dbraw/zinc/48/74/93/1446487493.db2.gz NCZFEKXSBJILNA-KRWDZBQOSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826509163 1446487495 /nfs/dbraw/zinc/48/74/95/1446487495.db2.gz NCZFEKXSBJILNA-KRWDZBQOSA-N 0 1 393.491 3.040 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000821060655 1446488642 /nfs/dbraw/zinc/48/86/42/1446488642.db2.gz HAKVLUCFDWTHSY-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000821060655 1446488643 /nfs/dbraw/zinc/48/86/43/1446488643.db2.gz HAKVLUCFDWTHSY-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000821060655 1446488645 /nfs/dbraw/zinc/48/86/45/1446488645.db2.gz HAKVLUCFDWTHSY-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CC(C)CN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817884 1446495596 /nfs/dbraw/zinc/49/55/96/1446495596.db2.gz GIEQXQWRERKJFZ-KRWDZBQOSA-N 0 1 392.507 3.376 20 0 GGADMN CC(C)CN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817884 1446495600 /nfs/dbraw/zinc/49/56/00/1446495600.db2.gz GIEQXQWRERKJFZ-KRWDZBQOSA-N 0 1 392.507 3.376 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000822220133 1446516758 /nfs/dbraw/zinc/51/67/58/1446516758.db2.gz FGPHZCGGGJOACV-MRXNPFEDSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000822220133 1446516759 /nfs/dbraw/zinc/51/67/59/1446516759.db2.gz FGPHZCGGGJOACV-MRXNPFEDSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000822220133 1446516762 /nfs/dbraw/zinc/51/67/62/1446516762.db2.gz FGPHZCGGGJOACV-MRXNPFEDSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822237507 1446529865 /nfs/dbraw/zinc/52/98/65/1446529865.db2.gz XGABWRQFHIFHJM-UHFFFAOYSA-N 0 1 394.479 3.033 20 0 GGADMN CC[N@H+](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000825394506 1446534494 /nfs/dbraw/zinc/53/44/94/1446534494.db2.gz FQFOOFJOTYVYGV-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN CC[N@@H+](CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000825394506 1446534498 /nfs/dbraw/zinc/53/44/98/1446534498.db2.gz FQFOOFJOTYVYGV-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826341363 1446540208 /nfs/dbraw/zinc/54/02/08/1446540208.db2.gz FYVTWAHAUYRYPN-NXEZZACHSA-N 0 1 390.394 3.033 20 0 GGADMN Cc1cccc2c(N[C@H](C)C[C@H](O)c3cccs3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826304298 1446543462 /nfs/dbraw/zinc/54/34/62/1446543462.db2.gz GFPBCIPGYWOYEX-DOMZBBRYSA-N 0 1 380.477 3.131 20 0 GGADMN CC[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCCO1 ZINC000825149426 1446547364 /nfs/dbraw/zinc/54/73/64/1446547364.db2.gz YIPSMUJQFAOEJN-SFTDATJTSA-N 0 1 393.491 3.493 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824578499 1446547687 /nfs/dbraw/zinc/54/76/87/1446547687.db2.gz UNTRBOIYDITHJL-YJBOKZPZSA-N 0 1 380.471 3.321 20 0 GGADMN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000825976593 1446550755 /nfs/dbraw/zinc/55/07/55/1446550755.db2.gz MWZHQIRXCZJGMA-INIZCTEOSA-N 0 1 378.263 3.339 20 0 GGADMN CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCO1 ZINC000824806822 1446551303 /nfs/dbraw/zinc/55/13/03/1446551303.db2.gz CMQHFYZNHQJACI-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN Clc1nsc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000737583919 1446554902 /nfs/dbraw/zinc/55/49/02/1446554902.db2.gz NZYGQGPNMXOFGB-LBPRGKRZSA-N 0 1 375.889 3.053 20 0 GGADMN Clc1nsc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000737583919 1446554906 /nfs/dbraw/zinc/55/49/06/1446554906.db2.gz NZYGQGPNMXOFGB-LBPRGKRZSA-N 0 1 375.889 3.053 20 0 GGADMN Clc1nsc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000737583919 1446554911 /nfs/dbraw/zinc/55/49/11/1446554911.db2.gz NZYGQGPNMXOFGB-LBPRGKRZSA-N 0 1 375.889 3.053 20 0 GGADMN O[C@@]1(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCc2ccccc21 ZINC000826505709 1446558565 /nfs/dbraw/zinc/55/85/65/1446558565.db2.gz CVGGNYUOLUNNRY-IFMALSPDSA-N 0 1 375.476 3.058 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)Cc1nc(=O)c2ccccc2[nH]1 ZINC000737410886 1446586595 /nfs/dbraw/zinc/58/65/95/1446586595.db2.gz VDHLGGWQRYQYQK-UHFFFAOYSA-N 0 1 398.430 3.009 20 0 GGADMN CC[N@H+](Cc1ccc(C)cc1)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736556538 1446587703 /nfs/dbraw/zinc/58/77/03/1446587703.db2.gz XSSBDOXVTLUWMV-UHFFFAOYSA-N 0 1 388.479 3.222 20 0 GGADMN O[C@@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826502658 1446613860 /nfs/dbraw/zinc/61/38/60/1446613860.db2.gz HXLZFDZQCAYPOV-PZJWPPBQSA-N 0 1 393.491 3.128 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000822505298 1446623561 /nfs/dbraw/zinc/62/35/61/1446623561.db2.gz HFGZPIZVQYSGRV-MRXNPFEDSA-N 0 1 380.500 3.149 20 0 GGADMN COc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1-c1nn[n-]n1 ZINC000821813303 1446651739 /nfs/dbraw/zinc/65/17/39/1446651739.db2.gz DZXULAZRWHSXBM-UHFFFAOYSA-N 0 1 375.432 3.327 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824906719 1446715396 /nfs/dbraw/zinc/71/53/96/1446715396.db2.gz DGWLSCYQJZIDHC-IYBDPMFKSA-N 0 1 390.491 3.023 20 0 GGADMN O=C(Nc1cccc(CC[NH+]2CCCC2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826456375 1446725595 /nfs/dbraw/zinc/72/55/95/1446725595.db2.gz AFQOYPSOYWPEDI-UHFFFAOYSA-N 0 1 377.452 3.149 20 0 GGADMN CC[NH+](CC)C[C@@H](C)NCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736532353 1446728438 /nfs/dbraw/zinc/72/84/38/1446728438.db2.gz BGJVTAFQGFKNAH-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736532353 1446728444 /nfs/dbraw/zinc/72/84/44/1446728444.db2.gz BGJVTAFQGFKNAH-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736532353 1446728450 /nfs/dbraw/zinc/72/84/50/1446728450.db2.gz BGJVTAFQGFKNAH-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN FCc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826370019 1446728859 /nfs/dbraw/zinc/72/88/59/1446728859.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN FCc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826370019 1446728862 /nfs/dbraw/zinc/72/88/62/1446728862.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN FCc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826370019 1446728866 /nfs/dbraw/zinc/72/88/66/1446728866.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN FCc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826370019 1446728872 /nfs/dbraw/zinc/72/88/72/1446728872.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN FCc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826370019 1446728876 /nfs/dbraw/zinc/72/88/76/1446728876.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN FCc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826370019 1446728882 /nfs/dbraw/zinc/72/88/82/1446728882.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN FCc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826370019 1446728887 /nfs/dbraw/zinc/72/88/87/1446728887.db2.gz ADUNWYDUKDQDAO-UHFFFAOYSA-N 0 1 380.471 3.044 20 0 GGADMN CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841246 1446729747 /nfs/dbraw/zinc/72/97/47/1446729747.db2.gz ULRHHCBKRZOFDN-WOJBJXKFSA-N 0 1 390.491 3.053 20 0 GGADMN c1cc(C[NH2+][C@@H]2CCCSC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751641 1446735997 /nfs/dbraw/zinc/73/59/97/1446735997.db2.gz NXAGNIICVWWYHQ-GOSISDBHSA-N 0 1 381.505 3.431 20 0 GGADMN CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428113 1446765489 /nfs/dbraw/zinc/76/54/89/1446765489.db2.gz BUSLDYBYJNJOST-AWEZNQCLSA-N 0 1 397.479 3.476 20 0 GGADMN Cc1c(Cl)cnc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1-c1nnn[n-]1 ZINC000826240001 1446775172 /nfs/dbraw/zinc/77/51/72/1446775172.db2.gz XGQZOMSIALXXAV-SNVBAGLBSA-N 0 1 389.916 3.144 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N(C)Cc3nccn3C(F)F)c2c1 ZINC000737248441 1446792895 /nfs/dbraw/zinc/79/28/95/1446792895.db2.gz DWISOXLJHNXWIE-UHFFFAOYSA-N 0 1 384.394 3.260 20 0 GGADMN c1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cccc(-c4nnn[n-]4)c2)C3)c1 ZINC001139850181 1446813674 /nfs/dbraw/zinc/81/36/74/1446813674.db2.gz QQWCYSRETSZJGG-IRLDBZIGSA-N 0 1 390.491 3.081 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824571770 1446819395 /nfs/dbraw/zinc/81/93/95/1446819395.db2.gz RSDRTBMNYLHQIG-GFCCVEGCSA-N 0 1 383.427 3.363 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212901 1446821871 /nfs/dbraw/zinc/82/18/71/1446821871.db2.gz URFJUEPPZNSHJI-SWLSCSKDSA-N 0 1 392.529 3.053 20 0 GGADMN C[NH+](C)[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000736762786 1446829631 /nfs/dbraw/zinc/82/96/31/1446829631.db2.gz XHVBEVILYZSTQG-HNNXBMFYSA-N 0 1 390.413 3.470 20 0 GGADMN COc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000826189595 1446830122 /nfs/dbraw/zinc/83/01/22/1446830122.db2.gz ZDTTWVYPPBVZRD-FQEVSTJZSA-N 0 1 394.479 3.191 20 0 GGADMN Cc1nc2c(s1)[C@@H](Nc1c(-c3nnn[n-]3)c[nH+]c3c(C)cccc13)CCC2 ZINC000826328684 1446831786 /nfs/dbraw/zinc/83/17/86/1446831786.db2.gz ZGNWMWFOCFPZFR-HNNXBMFYSA-N 0 1 377.477 3.400 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000737032343 1446836987 /nfs/dbraw/zinc/83/69/87/1446836987.db2.gz JTEUEYLSBCLDCK-YJBOKZPZSA-N 0 1 379.464 3.132 20 0 GGADMN COc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)cc1OC ZINC000737096347 1446838962 /nfs/dbraw/zinc/83/89/62/1446838962.db2.gz UEAVEFARRILQQH-UHFFFAOYSA-N 0 1 390.447 3.083 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736532372 1446839065 /nfs/dbraw/zinc/83/90/65/1446839065.db2.gz CACZXPBSBIWTJP-SFHVURJKSA-N 0 1 397.458 3.210 20 0 GGADMN c1cc2nc(NC3CC[NH+](CC4CCCC4)CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518247 1446861209 /nfs/dbraw/zinc/86/12/09/1446861209.db2.gz HMGHROPYWOEASD-UHFFFAOYSA-N 0 1 377.496 3.481 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000824333002 1446865016 /nfs/dbraw/zinc/86/50/16/1446865016.db2.gz CIBVSBGDDUFDDM-UHFFFAOYSA-N 0 1 394.479 3.115 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824333002 1446865019 /nfs/dbraw/zinc/86/50/19/1446865019.db2.gz CIBVSBGDDUFDDM-UHFFFAOYSA-N 0 1 394.479 3.115 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824333002 1446865024 /nfs/dbraw/zinc/86/50/24/1446865024.db2.gz CIBVSBGDDUFDDM-UHFFFAOYSA-N 0 1 394.479 3.115 20 0 GGADMN CC1(C)CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824801678 1446869260 /nfs/dbraw/zinc/86/92/60/1446869260.db2.gz GCPHISMGDOKFIZ-IBGZPJMESA-N 0 1 396.539 3.117 20 0 GGADMN CC1(C)CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801678 1446869263 /nfs/dbraw/zinc/86/92/63/1446869263.db2.gz GCPHISMGDOKFIZ-IBGZPJMESA-N 0 1 396.539 3.117 20 0 GGADMN CC1(C)CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801678 1446869264 /nfs/dbraw/zinc/86/92/64/1446869264.db2.gz GCPHISMGDOKFIZ-IBGZPJMESA-N 0 1 396.539 3.117 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cccc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826297758 1446925280 /nfs/dbraw/zinc/92/52/80/1446925280.db2.gz QUEFAEMYIKOGAZ-YOEHRIQHSA-N 0 1 394.479 3.201 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000826247805 1446941524 /nfs/dbraw/zinc/94/15/24/1446941524.db2.gz ONGSRIQKDCWJMU-INIZCTEOSA-N 0 1 390.491 3.131 20 0 GGADMN Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000826352807 1446941618 /nfs/dbraw/zinc/94/16/18/1446941618.db2.gz OYRSYWOXWNSNEY-LLVKDONJSA-N 0 1 380.843 3.175 20 0 GGADMN C[NH+](C)CCCC1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000825860259 1446947148 /nfs/dbraw/zinc/94/71/48/1446947148.db2.gz MSYKTEHGYHTGCC-UHFFFAOYSA-N 0 1 394.470 3.022 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000822744099 1446947612 /nfs/dbraw/zinc/94/76/12/1446947612.db2.gz MEBBEQTWKBDZEY-UHFFFAOYSA-N 0 1 382.443 3.402 20 0 GGADMN Oc1cccc(C[N@@H+](CCCOc2ccc(-c3nn[n-]n3)cc2)CC2CC2)c1 ZINC000738400849 1446947744 /nfs/dbraw/zinc/94/77/44/1446947744.db2.gz LXITUGMABIVPFK-UHFFFAOYSA-N 0 1 379.464 3.253 20 0 GGADMN Oc1cccc(C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)CC2CC2)c1 ZINC000738400849 1446947747 /nfs/dbraw/zinc/94/77/47/1446947747.db2.gz LXITUGMABIVPFK-UHFFFAOYSA-N 0 1 379.464 3.253 20 0 GGADMN Oc1cccc(C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)CC2CC2)c1 ZINC000738400849 1446947750 /nfs/dbraw/zinc/94/77/50/1446947750.db2.gz LXITUGMABIVPFK-UHFFFAOYSA-N 0 1 379.464 3.253 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000824992054 1446967767 /nfs/dbraw/zinc/96/77/67/1446967767.db2.gz JHDQFVQGQGABRZ-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000824992054 1446967770 /nfs/dbraw/zinc/96/77/70/1446967770.db2.gz JHDQFVQGQGABRZ-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000824992054 1446967771 /nfs/dbraw/zinc/96/77/71/1446967771.db2.gz JHDQFVQGQGABRZ-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN CC1(C)C[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824791235 1446980069 /nfs/dbraw/zinc/98/00/69/1446980069.db2.gz XVBQHYWBVNFIIC-GOSISDBHSA-N 0 1 393.491 3.493 20 0 GGADMN C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824384491 1446993679 /nfs/dbraw/zinc/99/36/79/1446993679.db2.gz CQHXTDNNPLUIQY-ZDUSSCGKSA-N 0 1 380.427 3.002 20 0 GGADMN Cc1cccc2c(NC[C@H]3CCN(c4ccccc4)C3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737409555 1446994870 /nfs/dbraw/zinc/99/48/70/1446994870.db2.gz PGKCUQGERHAFFU-MRXNPFEDSA-N 0 1 385.475 3.084 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736294318 1446997065 /nfs/dbraw/zinc/99/70/65/1446997065.db2.gz QYDCPRIKPDNAIX-GQIGUUNPSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736294318 1446997067 /nfs/dbraw/zinc/99/70/67/1446997067.db2.gz QYDCPRIKPDNAIX-GQIGUUNPSA-N 0 1 379.464 3.096 20 0 GGADMN FC(F)(F)c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1-c1nn[n-]n1 ZINC000737633802 1446997174 /nfs/dbraw/zinc/99/71/74/1446997174.db2.gz WGGONPQCBIWTMM-CQSZACIVSA-N 0 1 380.418 3.340 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000826351041 1447000164 /nfs/dbraw/zinc/00/01/64/1447000164.db2.gz VLTKBUPIKJGPMQ-UWWQBHOKSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000826351041 1447000169 /nfs/dbraw/zinc/00/01/69/1447000169.db2.gz VLTKBUPIKJGPMQ-UWWQBHOKSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000826351041 1447000177 /nfs/dbraw/zinc/00/01/77/1447000177.db2.gz VLTKBUPIKJGPMQ-UWWQBHOKSA-N 0 1 395.898 3.238 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000737240569 1447025201 /nfs/dbraw/zinc/02/52/01/1447025201.db2.gz LNAXWGCNSWKPSV-UHFFFAOYSA-N 0 1 387.557 3.042 20 0 GGADMN C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820292370 1447056321 /nfs/dbraw/zinc/05/63/21/1447056321.db2.gz DREOQOXUHHQULT-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN CC[NH+](CC)CCCNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736530569 1447061447 /nfs/dbraw/zinc/06/14/47/1447061447.db2.gz KFGYOSHUASLYOI-UHFFFAOYSA-N 0 1 393.495 3.072 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737839442 1447071111 /nfs/dbraw/zinc/07/11/11/1447071111.db2.gz SIXKDDRIGLXBOF-OAHLLOKOSA-N 0 1 396.882 3.338 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737839442 1447071115 /nfs/dbraw/zinc/07/11/15/1447071115.db2.gz SIXKDDRIGLXBOF-OAHLLOKOSA-N 0 1 396.882 3.338 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737839442 1447071119 /nfs/dbraw/zinc/07/11/19/1447071119.db2.gz SIXKDDRIGLXBOF-OAHLLOKOSA-N 0 1 396.882 3.338 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736214120 1447075303 /nfs/dbraw/zinc/07/53/03/1447075303.db2.gz NYBNTBZKPIRIJO-LJQANCHMSA-N 0 1 388.475 3.472 20 0 GGADMN c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868285 1447077673 /nfs/dbraw/zinc/07/76/73/1447077673.db2.gz UOCBSKLVOJDUNS-SFHVURJKSA-N 0 1 394.504 3.464 20 0 GGADMN c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868285 1447077679 /nfs/dbraw/zinc/07/76/79/1447077679.db2.gz UOCBSKLVOJDUNS-SFHVURJKSA-N 0 1 394.504 3.464 20 0 GGADMN C[C@H](NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627576 1447080101 /nfs/dbraw/zinc/08/01/01/1447080101.db2.gz ZALAIQVGEVJNAP-JTQLQIEISA-N 0 1 396.348 3.193 20 0 GGADMN C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627576 1447080107 /nfs/dbraw/zinc/08/01/07/1447080107.db2.gz ZALAIQVGEVJNAP-JTQLQIEISA-N 0 1 396.348 3.193 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000735561211 1447083690 /nfs/dbraw/zinc/08/36/90/1447083690.db2.gz JMNHPRVYSQQVGJ-KSFYIVLOSA-N 0 1 390.491 3.247 20 0 GGADMN Cc1cccc(C2(O)CC[NH+](Cc3cccc(-c4nn[n-]n4)c3F)CC2)c1C ZINC000826296868 1447100161 /nfs/dbraw/zinc/10/01/61/1447100161.db2.gz MKQGHTAVSHDAAK-UHFFFAOYSA-N 0 1 381.455 3.106 20 0 GGADMN S=C(Nc1cccc(CC[NH+]2CCCC2)c1)Nc1ccccc1-c1nnn[n-]1 ZINC000826511830 1447121429 /nfs/dbraw/zinc/12/14/29/1447121429.db2.gz GGKJVVWCWFGKLV-UHFFFAOYSA-N 0 1 393.520 3.314 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232961 1447132555 /nfs/dbraw/zinc/13/25/55/1447132555.db2.gz DQNICBWLDUJAHQ-CPUCHLNUSA-N 0 1 394.454 3.211 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825918707 1447136968 /nfs/dbraw/zinc/13/69/68/1447136968.db2.gz JPIPAUGFLCRCGX-UHFFFAOYSA-N 0 1 381.459 3.144 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736294959 1447138645 /nfs/dbraw/zinc/13/86/45/1447138645.db2.gz TVPATYKHWHHUMJ-GQIGUUNPSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736294959 1447138648 /nfs/dbraw/zinc/13/86/48/1447138648.db2.gz TVPATYKHWHHUMJ-GQIGUUNPSA-N 0 1 379.464 3.096 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000826182926 1447145672 /nfs/dbraw/zinc/14/56/72/1447145672.db2.gz YLLFNADZIZVUBK-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1F ZINC000736134965 1447151879 /nfs/dbraw/zinc/15/18/79/1447151879.db2.gz XAXRPWSCQUBCSL-ZDUSSCGKSA-N 0 1 384.434 3.465 20 0 GGADMN C[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402448 1447154750 /nfs/dbraw/zinc/15/47/50/1447154750.db2.gz DKWOQNCWRNIJJF-OXQOHEQNSA-N 0 1 390.491 3.271 20 0 GGADMN Cc1cc(C)c([C@H](C)[NH+]2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C)c1 ZINC000737246534 1447156275 /nfs/dbraw/zinc/15/62/75/1447156275.db2.gz LBMRMRLSAYRBMI-KRWDZBQOSA-N 0 1 377.496 3.070 20 0 GGADMN CCn1nc(C)c([C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1C ZINC000821566427 1447168273 /nfs/dbraw/zinc/16/82/73/1447168273.db2.gz CUCIVYDPRVRFBJ-ZDUSSCGKSA-N 0 1 385.541 3.284 20 0 GGADMN CC(C)[N@@H+](CCc1nccs1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824293813 1447172638 /nfs/dbraw/zinc/17/26/38/1447172638.db2.gz YEKJJRJNPFFGRN-UHFFFAOYSA-N 0 1 394.451 3.378 20 0 GGADMN Fc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cc1Cl ZINC000826375450 1447173465 /nfs/dbraw/zinc/17/34/65/1447173465.db2.gz OCYRAIVLJDENFV-SNVBAGLBSA-N 0 1 378.864 3.089 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820721718 1447182732 /nfs/dbraw/zinc/18/27/32/1447182732.db2.gz AASVUHPQMPUPRH-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820721718 1447182736 /nfs/dbraw/zinc/18/27/36/1447182736.db2.gz AASVUHPQMPUPRH-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820721718 1447182738 /nfs/dbraw/zinc/18/27/38/1447182738.db2.gz AASVUHPQMPUPRH-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680959 1447187277 /nfs/dbraw/zinc/18/72/77/1447187277.db2.gz BNFZEOIRCMRTKB-PKOBYXMFSA-N 0 1 383.883 3.261 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680959 1447187279 /nfs/dbraw/zinc/18/72/79/1447187279.db2.gz BNFZEOIRCMRTKB-PKOBYXMFSA-N 0 1 383.883 3.261 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680959 1447187282 /nfs/dbraw/zinc/18/72/82/1447187282.db2.gz BNFZEOIRCMRTKB-PKOBYXMFSA-N 0 1 383.883 3.261 20 0 GGADMN c1cc(-c2nnc(C[NH+]3CCC(C4CCCC4)CC3)o2)ccc1-c1nnn[n-]1 ZINC000823737671 1447189206 /nfs/dbraw/zinc/18/92/06/1447189206.db2.gz HRKCRPQLKIYPHB-UHFFFAOYSA-N 0 1 379.468 3.319 20 0 GGADMN CN(Cc1ccccn1)c1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736828237 1447216026 /nfs/dbraw/zinc/21/60/26/1447216026.db2.gz JLTGGGDCVFHAMG-UHFFFAOYSA-N 0 1 383.362 3.048 20 0 GGADMN Clc1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000737576237 1447219418 /nfs/dbraw/zinc/21/94/18/1447219418.db2.gz ZONQMKAOSQGYSS-HNNXBMFYSA-N 0 1 383.887 3.239 20 0 GGADMN Clc1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000737576237 1447219423 /nfs/dbraw/zinc/21/94/23/1447219423.db2.gz ZONQMKAOSQGYSS-HNNXBMFYSA-N 0 1 383.887 3.239 20 0 GGADMN Clc1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000737576237 1447219427 /nfs/dbraw/zinc/21/94/27/1447219427.db2.gz ZONQMKAOSQGYSS-HNNXBMFYSA-N 0 1 383.887 3.239 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000823673757 1447241264 /nfs/dbraw/zinc/24/12/64/1447241264.db2.gz NKZPZEHWVGEYCC-SJLPKXTDSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@H](C[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000823673757 1447241277 /nfs/dbraw/zinc/24/12/77/1447241277.db2.gz NKZPZEHWVGEYCC-SJLPKXTDSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000823673757 1447241282 /nfs/dbraw/zinc/24/12/82/1447241282.db2.gz NKZPZEHWVGEYCC-SJLPKXTDSA-N 0 1 399.520 3.285 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCCCc3nc(C(C)C)no3)c2c1 ZINC000822195294 1447253381 /nfs/dbraw/zinc/25/33/81/1447253381.db2.gz NPLRIUULHIGTTR-UHFFFAOYSA-N 0 1 392.467 3.005 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826168236 1447271418 /nfs/dbraw/zinc/27/14/18/1447271418.db2.gz GTXGFJWWPLXHCD-UHFFFAOYSA-N 0 1 382.855 3.213 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000736198380 1447286170 /nfs/dbraw/zinc/28/61/70/1447286170.db2.gz SOFCXJFRCSBUGC-AWEZNQCLSA-N 0 1 396.882 3.039 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824304831 1447294263 /nfs/dbraw/zinc/29/42/63/1447294263.db2.gz FPOJAZLGCCHCSF-ZDUSSCGKSA-N 0 1 397.458 3.387 20 0 GGADMN C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585321 1447307357 /nfs/dbraw/zinc/30/73/57/1447307357.db2.gz PVZNSPSOJSIUPU-GJZGRUSLSA-N 0 1 386.500 3.164 20 0 GGADMN FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000822723888 1447340239 /nfs/dbraw/zinc/34/02/39/1447340239.db2.gz RXPAIVKLZGULLX-UHFFFAOYSA-N 0 1 395.433 3.490 20 0 GGADMN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826363401 1447346450 /nfs/dbraw/zinc/34/64/50/1447346450.db2.gz KWLWDAHXQSYNME-MRXNPFEDSA-N 0 1 387.285 3.305 20 0 GGADMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826363401 1447346455 /nfs/dbraw/zinc/34/64/55/1447346455.db2.gz KWLWDAHXQSYNME-MRXNPFEDSA-N 0 1 387.285 3.305 20 0 GGADMN Fc1ccc(-n2cc(C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cn2)cc1 ZINC000826373530 1449017015 /nfs/dbraw/zinc/01/70/15/1449017015.db2.gz PSDOVNKNFPKMNX-UHFFFAOYSA-N 0 1 389.438 3.356 20 0 GGADMN Fc1ccc(-n2cc(C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cn2)cc1 ZINC000826373530 1449017022 /nfs/dbraw/zinc/01/70/22/1449017022.db2.gz PSDOVNKNFPKMNX-UHFFFAOYSA-N 0 1 389.438 3.356 20 0 GGADMN CCSCC[C@@H](C)[N@@H+](C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825668428 1449024832 /nfs/dbraw/zinc/02/48/32/1449024832.db2.gz FVRIOJGSNAQNGG-CQSZACIVSA-N 0 1 385.541 3.324 20 0 GGADMN CCSCC[C@@H](C)[N@H+](C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825668428 1449024835 /nfs/dbraw/zinc/02/48/35/1449024835.db2.gz FVRIOJGSNAQNGG-CQSZACIVSA-N 0 1 385.541 3.324 20 0 GGADMN CCSCC[C@@H](C)[N@@H+](C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825668428 1449024839 /nfs/dbraw/zinc/02/48/39/1449024839.db2.gz FVRIOJGSNAQNGG-CQSZACIVSA-N 0 1 385.541 3.324 20 0 GGADMN CC(C)C[N@@H+](CCOc1ccccc1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)cc1 ZINC000735827970 1449037562 /nfs/dbraw/zinc/03/75/62/1449037562.db2.gz VPGIAPBQSJACGG-LJQANCHMSA-N 0 1 399.470 3.076 20 0 GGADMN CC(C)C[N@H+](CCOc1ccccc1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1 ZINC000735827970 1449037569 /nfs/dbraw/zinc/03/75/69/1449037569.db2.gz VPGIAPBQSJACGG-LJQANCHMSA-N 0 1 399.470 3.076 20 0 GGADMN CC(C)C[N@@H+](CCOc1ccccc1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1 ZINC000735827970 1449037573 /nfs/dbraw/zinc/03/75/73/1449037573.db2.gz VPGIAPBQSJACGG-LJQANCHMSA-N 0 1 399.470 3.076 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000824564076 1449044734 /nfs/dbraw/zinc/04/47/34/1449044734.db2.gz REWHLZDDJGQULI-SNVBAGLBSA-N 0 1 391.262 3.463 20 0 GGADMN O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000737839874 1449060158 /nfs/dbraw/zinc/06/01/58/1449060158.db2.gz WAPFHBURGBJNLA-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@@H+](CCc1cccc(F)c1)C1CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000737839874 1449060165 /nfs/dbraw/zinc/06/01/65/1449060165.db2.gz WAPFHBURGBJNLA-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000737839874 1449060175 /nfs/dbraw/zinc/06/01/75/1449060175.db2.gz WAPFHBURGBJNLA-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O[C@@H](C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672673 1449061728 /nfs/dbraw/zinc/06/17/28/1449061728.db2.gz FWTSTIPXXKTKDI-NRFANRHFSA-N 0 1 388.475 3.261 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028724 1449074494 /nfs/dbraw/zinc/07/44/94/1449074494.db2.gz GTIVYWZMGATDRM-GOEBONIOSA-N 0 1 392.891 3.256 20 0 GGADMN CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736210963 1449082426 /nfs/dbraw/zinc/08/24/26/1449082426.db2.gz KDHGFXASGDETEC-UHFFFAOYSA-N 0 1 376.892 3.361 20 0 GGADMN CC1(C)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736210963 1449082432 /nfs/dbraw/zinc/08/24/32/1449082432.db2.gz KDHGFXASGDETEC-UHFFFAOYSA-N 0 1 376.892 3.361 20 0 GGADMN CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736210963 1449082440 /nfs/dbraw/zinc/08/24/40/1449082440.db2.gz KDHGFXASGDETEC-UHFFFAOYSA-N 0 1 376.892 3.361 20 0 GGADMN COc1ccc(OC)c([C@H](C)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821842577 1449085143 /nfs/dbraw/zinc/08/51/43/1449085143.db2.gz SEAQQIAXRQYSBK-AWEZNQCLSA-N 0 1 383.452 3.004 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000737032423 1449094430 /nfs/dbraw/zinc/09/44/30/1449094430.db2.gz LAWKFGRVVALFPJ-OAQYLSRUSA-N 0 1 379.464 3.095 20 0 GGADMN COc1cc(C[N@@H+](C)CCCOc2cccc(-c3nn[n-]n3)c2)ccc1SC ZINC000821713416 1449117534 /nfs/dbraw/zinc/11/75/34/1449117534.db2.gz WHYMLPMUWHFHRW-UHFFFAOYSA-N 0 1 399.520 3.498 20 0 GGADMN COc1cc(C[N@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)ccc1SC ZINC000821713416 1449117539 /nfs/dbraw/zinc/11/75/39/1449117539.db2.gz WHYMLPMUWHFHRW-UHFFFAOYSA-N 0 1 399.520 3.498 20 0 GGADMN COc1cc(C[N@@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)ccc1SC ZINC000821713416 1449117546 /nfs/dbraw/zinc/11/75/46/1449117546.db2.gz WHYMLPMUWHFHRW-UHFFFAOYSA-N 0 1 399.520 3.498 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000824528511 1449174424 /nfs/dbraw/zinc/17/44/24/1449174424.db2.gz ATLNTECQLLMNQA-DTWKUNHWSA-N 0 1 379.287 3.498 20 0 GGADMN C[C@]1([NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCc2ccccc21 ZINC000820623345 1449176452 /nfs/dbraw/zinc/17/64/52/1449176452.db2.gz MVPPIUXDKQDQPH-NRFANRHFSA-N 0 1 387.447 3.258 20 0 GGADMN C[C@H](CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[NH+]1CCCCC1 ZINC000824401961 1449178891 /nfs/dbraw/zinc/17/88/91/1449178891.db2.gz SJFNQYTZOZKWTA-GFCCVEGCSA-N 0 1 393.948 3.071 20 0 GGADMN Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000822581762 1449179762 /nfs/dbraw/zinc/17/97/62/1449179762.db2.gz NMLIMDAMCBCLOF-UHFFFAOYSA-N 0 1 380.843 3.175 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000737647208 1449194385 /nfs/dbraw/zinc/19/43/85/1449194385.db2.gz COIIGWPWAUGPEQ-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000737524558 1449217789 /nfs/dbraw/zinc/21/77/89/1449217789.db2.gz NCEICSIIEVILBC-UHFFFAOYSA-N 0 1 392.511 3.436 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000736198071 1449243249 /nfs/dbraw/zinc/24/32/49/1449243249.db2.gz QHFDTLDSVDUAKW-AWEZNQCLSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820703480 1449261644 /nfs/dbraw/zinc/26/16/44/1449261644.db2.gz GBBSENWYMQGNSK-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820703480 1449261653 /nfs/dbraw/zinc/26/16/53/1449261653.db2.gz GBBSENWYMQGNSK-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820703480 1449261661 /nfs/dbraw/zinc/26/16/61/1449261661.db2.gz GBBSENWYMQGNSK-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000821808946 1449291869 /nfs/dbraw/zinc/29/18/69/1449291869.db2.gz KVILHPGUFFHIES-HNNXBMFYSA-N 0 1 394.262 3.005 20 0 GGADMN Fc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)cc1Br ZINC000822766619 1449315535 /nfs/dbraw/zinc/31/55/35/1449315535.db2.gz LFRKFNDRBKXCJE-UHFFFAOYSA-N 0 1 394.223 3.240 20 0 GGADMN C[C@@H]1SCC[N@@H+](CCOc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000736303931 1449317905 /nfs/dbraw/zinc/31/79/05/1449317905.db2.gz UONKHLRWNOVKOG-KXBFYZLASA-N 0 1 381.505 3.424 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332370 1449321809 /nfs/dbraw/zinc/32/18/09/1449321809.db2.gz TTYWUTBAHAYSDU-HXUWFJFHSA-N 0 1 390.491 3.019 20 0 GGADMN Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737416295 1449323537 /nfs/dbraw/zinc/32/35/37/1449323537.db2.gz ZDCLWEKKASSTOA-MRXNPFEDSA-N 0 1 390.491 3.131 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824572907 1449329850 /nfs/dbraw/zinc/32/98/50/1449329850.db2.gz XYXIRRONWWTZIS-ZBEGNZNMSA-N 0 1 377.370 3.270 20 0 GGADMN C[C@H]([NH2+]CCNc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824599434 1449335643 /nfs/dbraw/zinc/33/56/43/1449335643.db2.gz ORQJCLVWFBRARO-LBPRGKRZSA-N 0 1 387.285 3.392 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736134972 1449345885 /nfs/dbraw/zinc/34/58/85/1449345885.db2.gz XFTCGVNRTIYBML-GHMZBOCLSA-N 0 1 388.834 3.337 20 0 GGADMN COc1ccc2cc(C[NH2+]Cc3ccc(OC)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000821854616 1449368524 /nfs/dbraw/zinc/36/85/24/1449368524.db2.gz PGCXTTHYSLCSEE-UHFFFAOYSA-N 0 1 375.432 3.327 20 0 GGADMN FC(F)(F)c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000737632086 1449373850 /nfs/dbraw/zinc/37/38/50/1449373850.db2.gz JSOGPSILWZUJHM-ZDUSSCGKSA-N 0 1 380.418 3.340 20 0 GGADMN C[N@@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826028682 1449389037 /nfs/dbraw/zinc/38/90/37/1449389037.db2.gz FVRAYGIJMMXDNM-CMPLNLGQSA-N 0 1 396.307 3.487 20 0 GGADMN C[N@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccc(Cl)cc1 ZINC000826028682 1449389040 /nfs/dbraw/zinc/38/90/40/1449389040.db2.gz FVRAYGIJMMXDNM-CMPLNLGQSA-N 0 1 396.307 3.487 20 0 GGADMN CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270347 1449391302 /nfs/dbraw/zinc/39/13/02/1449391302.db2.gz CIMHRFRPJGSZQV-KKSFZXQISA-N 0 1 395.507 3.218 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824614252 1449395409 /nfs/dbraw/zinc/39/54/09/1449395409.db2.gz ZYGBLGPGAUVOIT-LBPRGKRZSA-N 0 1 381.390 3.181 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+](C)CCC1CCCCC1 ZINC000737521760 1449402846 /nfs/dbraw/zinc/40/28/46/1449402846.db2.gz BWEPCPLAQHCMCM-UHFFFAOYSA-N 0 1 380.500 3.293 20 0 GGADMN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824406330 1449427384 /nfs/dbraw/zinc/42/73/84/1449427384.db2.gz HNKSEFDZFPRIPZ-OLZOCXBDSA-N 0 1 383.427 3.406 20 0 GGADMN CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825675235 1449434954 /nfs/dbraw/zinc/43/49/54/1449434954.db2.gz ZVSWXJUTGVTWLX-WMLDXEAASA-N 0 1 399.520 3.069 20 0 GGADMN CCC[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825323146 1449474322 /nfs/dbraw/zinc/47/43/22/1449474322.db2.gz PSXMJBLAMACQOT-AWEZNQCLSA-N 0 1 382.443 3.245 20 0 GGADMN CCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825323146 1449474327 /nfs/dbraw/zinc/47/43/27/1449474327.db2.gz PSXMJBLAMACQOT-AWEZNQCLSA-N 0 1 382.443 3.245 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826203006 1449489464 /nfs/dbraw/zinc/48/94/64/1449489464.db2.gz WEKLGIWHWPOKRB-MJGOQNOKSA-N 0 1 398.898 3.064 20 0 GGADMN CCO[C@@H](C)c1nc(CN(C)c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000825577745 1449496590 /nfs/dbraw/zinc/49/65/90/1449496590.db2.gz ZMQYXVIPINKYMG-LBPRGKRZSA-N 0 1 399.524 3.331 20 0 GGADMN CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000825465943 1449516438 /nfs/dbraw/zinc/51/64/38/1449516438.db2.gz TZLXUMDSMPRMOU-HNNXBMFYSA-N 0 1 395.486 3.321 20 0 GGADMN C[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824962775 1449517624 /nfs/dbraw/zinc/51/76/24/1449517624.db2.gz YBORZYZGNPZHTB-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000824962775 1449517626 /nfs/dbraw/zinc/51/76/26/1449517626.db2.gz YBORZYZGNPZHTB-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824962775 1449517628 /nfs/dbraw/zinc/51/76/28/1449517628.db2.gz YBORZYZGNPZHTB-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000736267949 1449521366 /nfs/dbraw/zinc/52/13/66/1449521366.db2.gz QWWXKPHMMRTKLO-ZWKOTPCHSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000736267949 1449521370 /nfs/dbraw/zinc/52/13/70/1449521370.db2.gz QWWXKPHMMRTKLO-ZWKOTPCHSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000736267949 1449521374 /nfs/dbraw/zinc/52/13/74/1449521374.db2.gz QWWXKPHMMRTKLO-ZWKOTPCHSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432031 1449538487 /nfs/dbraw/zinc/53/84/87/1449538487.db2.gz KPQXJUPCVCCFJZ-INIZCTEOSA-N 0 1 393.491 3.413 20 0 GGADMN O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826408423 1449549958 /nfs/dbraw/zinc/54/99/58/1449549958.db2.gz FQPNEMUUDAXOQH-FQEVSTJZSA-N 0 1 391.475 3.007 20 0 GGADMN CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nccs1 ZINC000824235271 1449570702 /nfs/dbraw/zinc/57/07/02/1449570702.db2.gz DZXBKHFGJDEBFZ-WFASDCNBSA-N 0 1 385.497 3.027 20 0 GGADMN C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824573426 1449610532 /nfs/dbraw/zinc/61/05/32/1449610532.db2.gz ZGDVYJXQRBLALE-MGPUTAFESA-N 0 1 380.471 3.494 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000826168939 1449632073 /nfs/dbraw/zinc/63/20/73/1449632073.db2.gz CPPABXFBCOTUEJ-UHFFFAOYSA-N 0 1 389.463 3.131 20 0 GGADMN COc1ccc([C@@H](OC)[C@H](C)Nc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000826189550 1449640946 /nfs/dbraw/zinc/64/09/46/1449640946.db2.gz YKTJLWAHXDWHSY-RBZFPXEDSA-N 0 1 390.447 3.034 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000826183962 1449641998 /nfs/dbraw/zinc/64/19/98/1449641998.db2.gz GMWRUSZVBBOGND-HXUWFJFHSA-N 0 1 392.507 3.192 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000820703607 1449657496 /nfs/dbraw/zinc/65/74/96/1449657496.db2.gz IJFIWDOFXGGDBZ-LBPRGKRZSA-N 0 1 395.964 3.458 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820703607 1449657497 /nfs/dbraw/zinc/65/74/97/1449657497.db2.gz IJFIWDOFXGGDBZ-LBPRGKRZSA-N 0 1 395.964 3.458 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820703607 1449657498 /nfs/dbraw/zinc/65/74/98/1449657498.db2.gz IJFIWDOFXGGDBZ-LBPRGKRZSA-N 0 1 395.964 3.458 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC([C@H]4CCOC4)CC3)c2c1 ZINC000826263570 1449691645 /nfs/dbraw/zinc/69/16/45/1449691645.db2.gz HVQZOVXSSVEVFD-INIZCTEOSA-N 0 1 378.480 3.285 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736294964 1449723151 /nfs/dbraw/zinc/72/31/51/1449723151.db2.gz TVPATYKHWHHUMJ-JXXFODFXSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736294964 1449723156 /nfs/dbraw/zinc/72/31/56/1449723156.db2.gz TVPATYKHWHHUMJ-JXXFODFXSA-N 0 1 379.464 3.096 20 0 GGADMN CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825428424 1449725892 /nfs/dbraw/zinc/72/58/92/1449725892.db2.gz MNBFPEBIBMVOFK-LBPRGKRZSA-N 0 1 388.497 3.030 20 0 GGADMN CC1(C)C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824790449 1449727757 /nfs/dbraw/zinc/72/77/57/1449727757.db2.gz NCSKEXVQKATNAY-LJQANCHMSA-N 0 1 393.491 3.493 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736409374 1449727903 /nfs/dbraw/zinc/72/79/03/1449727903.db2.gz IPIUMASTPGBLQD-CYBMUJFWSA-N 0 1 388.522 3.328 20 0 GGADMN C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824576466 1449735945 /nfs/dbraw/zinc/73/59/45/1449735945.db2.gz APFPJWBANYCMEU-OAHLLOKOSA-N 0 1 381.455 3.405 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000822743963 1449737748 /nfs/dbraw/zinc/73/77/48/1449737748.db2.gz JCFOKFCJUXGMGQ-UHFFFAOYSA-N 0 1 382.443 3.402 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC000820722963 1449742338 /nfs/dbraw/zinc/74/23/38/1449742338.db2.gz SGLHKTWWPLWQQP-YOEHRIQHSA-N 0 1 380.452 3.262 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000826187657 1449762771 /nfs/dbraw/zinc/76/27/71/1449762771.db2.gz ATDHHMIORBRQBV-SNVBAGLBSA-N 0 1 393.369 3.467 20 0 GGADMN C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824627538 1449766248 /nfs/dbraw/zinc/76/62/48/1449766248.db2.gz YHTJQVDWTIRCOS-LBPRGKRZSA-N 0 1 381.390 3.181 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000822945449 1449787705 /nfs/dbraw/zinc/78/77/05/1449787705.db2.gz FORDCCSVWDIQCB-HNNXBMFYSA-N 0 1 383.477 3.044 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000819877708 1449795487 /nfs/dbraw/zinc/79/54/87/1449795487.db2.gz ZYYJHGRTWYECLS-NUJGCVRESA-N 0 1 390.491 3.147 20 0 GGADMN CC(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000820027331 1449800815 /nfs/dbraw/zinc/80/08/15/1449800815.db2.gz QSLBEICZAONXKZ-GOSISDBHSA-N 0 1 375.436 3.404 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000824563821 1449802959 /nfs/dbraw/zinc/80/29/59/1449802959.db2.gz QIETVPBLNAPXSE-JTQLQIEISA-N 0 1 391.262 3.463 20 0 GGADMN c1cc2c(cc1C[NH2+][C@@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCCO2 ZINC000826518832 1449810088 /nfs/dbraw/zinc/81/00/88/1449810088.db2.gz ZDMDQIAWZIBAGL-GOSISDBHSA-N 0 1 377.448 3.195 20 0 GGADMN CC[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)CC1CCN(c2ccccn2)CC1 ZINC000821222475 1449815591 /nfs/dbraw/zinc/81/55/91/1449815591.db2.gz UOYOUVQYXORRRJ-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)CC1CCN(c2ccccn2)CC1 ZINC000821222475 1449815598 /nfs/dbraw/zinc/81/55/98/1449815598.db2.gz UOYOUVQYXORRRJ-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)CC1CCN(c2ccccn2)CC1 ZINC000821222475 1449815605 /nfs/dbraw/zinc/81/56/05/1449815605.db2.gz UOYOUVQYXORRRJ-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN Cc1ccc(CC[NH+]2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000737338847 1449817757 /nfs/dbraw/zinc/81/77/57/1449817757.db2.gz YGGBDLPWQBOMOW-UHFFFAOYSA-N 0 1 399.502 3.088 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000736537510 1449831398 /nfs/dbraw/zinc/83/13/98/1449831398.db2.gz VLHGPNFSPZYRLD-CQSZACIVSA-N 0 1 385.443 3.476 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825980898 1449832711 /nfs/dbraw/zinc/83/27/11/1449832711.db2.gz KZSZNIKHIJKUFA-UHFFFAOYSA-N 0 1 395.536 3.064 20 0 GGADMN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825980898 1449832718 /nfs/dbraw/zinc/83/27/18/1449832718.db2.gz KZSZNIKHIJKUFA-UHFFFAOYSA-N 0 1 395.536 3.064 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825980898 1449832726 /nfs/dbraw/zinc/83/27/26/1449832726.db2.gz KZSZNIKHIJKUFA-UHFFFAOYSA-N 0 1 395.536 3.064 20 0 GGADMN COC[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000821684132 1449840186 /nfs/dbraw/zinc/84/01/86/1449840186.db2.gz SPWFKXURWLOWRW-HXUWFJFHSA-N 0 1 381.480 3.206 20 0 GGADMN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)OC(C)(C)C ZINC000824569194 1449849616 /nfs/dbraw/zinc/84/96/16/1449849616.db2.gz GIFOYJSFJJGSPU-LRDDRELGSA-N 0 1 392.479 3.206 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820668467 1449859845 /nfs/dbraw/zinc/85/98/45/1449859845.db2.gz SYCMKNUGOSQFCJ-KBXCAEBGSA-N 0 1 387.447 3.295 20 0 GGADMN C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820402783 1449863956 /nfs/dbraw/zinc/86/39/56/1449863956.db2.gz FWXJZPOYPSNYQF-ZDUSSCGKSA-N 0 1 397.458 3.257 20 0 GGADMN CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1nc(C)cs1 ZINC000825148252 1449878121 /nfs/dbraw/zinc/87/81/21/1449878121.db2.gz PBFPIEXGCMMPDL-INIZCTEOSA-N 0 1 394.508 3.273 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820641243 1449896524 /nfs/dbraw/zinc/89/65/24/1449896524.db2.gz AZKSDUIVPUCNBW-HIFRSBDPSA-N 0 1 382.493 3.135 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820641243 1449896530 /nfs/dbraw/zinc/89/65/30/1449896530.db2.gz AZKSDUIVPUCNBW-HIFRSBDPSA-N 0 1 382.493 3.135 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820641243 1449896534 /nfs/dbraw/zinc/89/65/34/1449896534.db2.gz AZKSDUIVPUCNBW-HIFRSBDPSA-N 0 1 382.493 3.135 20 0 GGADMN CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001139857738 1449910208 /nfs/dbraw/zinc/91/02/08/1449910208.db2.gz PUFNNOVEYRYIQD-ZNXRZULTSA-N 0 1 398.511 3.134 20 0 GGADMN Fc1ccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000737648088 1449910843 /nfs/dbraw/zinc/91/08/43/1449910843.db2.gz FQDNNXSSUQOUKR-UHFFFAOYSA-N 0 1 397.454 3.450 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000826248026 1449918575 /nfs/dbraw/zinc/91/85/75/1449918575.db2.gz UCJGDEZRZCZMKY-ROUUACIJSA-N 0 1 396.882 3.004 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000826248026 1449918578 /nfs/dbraw/zinc/91/85/78/1449918578.db2.gz UCJGDEZRZCZMKY-ROUUACIJSA-N 0 1 396.882 3.004 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000826248026 1449918580 /nfs/dbraw/zinc/91/85/80/1449918580.db2.gz UCJGDEZRZCZMKY-ROUUACIJSA-N 0 1 396.882 3.004 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H]1CCC[C@@H]1O ZINC000825980926 1449921026 /nfs/dbraw/zinc/92/10/26/1449921026.db2.gz MEXQMTWABZRBJK-UTKZUKDTSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCC[C@@H]1O ZINC000825980926 1449921027 /nfs/dbraw/zinc/92/10/27/1449921027.db2.gz MEXQMTWABZRBJK-UTKZUKDTSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCC[C@@H]1O ZINC000825980926 1449921028 /nfs/dbraw/zinc/92/10/28/1449921028.db2.gz MEXQMTWABZRBJK-UTKZUKDTSA-N 0 1 393.491 3.039 20 0 GGADMN COCC[N@@H+](Cc1ccc(OC(C)C)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737003151 1449926874 /nfs/dbraw/zinc/92/68/74/1449926874.db2.gz UXSACUPOYBBTRT-UHFFFAOYSA-N 0 1 381.480 3.303 20 0 GGADMN Cc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C2CC2)cc1C ZINC000737343218 1449927062 /nfs/dbraw/zinc/92/70/62/1449927062.db2.gz XMYPZZWVJBKZQO-UHFFFAOYSA-N 0 1 390.491 3.477 20 0 GGADMN Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737343218 1449927064 /nfs/dbraw/zinc/92/70/64/1449927064.db2.gz XMYPZZWVJBKZQO-UHFFFAOYSA-N 0 1 390.491 3.477 20 0 GGADMN Cc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737343218 1449927069 /nfs/dbraw/zinc/92/70/69/1449927069.db2.gz XMYPZZWVJBKZQO-UHFFFAOYSA-N 0 1 390.491 3.477 20 0 GGADMN CC[N@H+](Cc1nc(=O)c2sccc2[nH]1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555362 1449938579 /nfs/dbraw/zinc/93/85/79/1449938579.db2.gz HTSPLBYHHYRNNI-LLVKDONJSA-N 0 1 381.465 3.160 20 0 GGADMN CC[N@@H+](Cc1nc(=O)c2sccc2[nH]1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555362 1449938581 /nfs/dbraw/zinc/93/85/81/1449938581.db2.gz HTSPLBYHHYRNNI-LLVKDONJSA-N 0 1 381.465 3.160 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503130 1449960078 /nfs/dbraw/zinc/96/00/78/1449960078.db2.gz RGWIIRDEUJUHJE-RTWAWAEBSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@@H](C[N@@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503130 1449960081 /nfs/dbraw/zinc/96/00/81/1449960081.db2.gz RGWIIRDEUJUHJE-RTWAWAEBSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503130 1449960083 /nfs/dbraw/zinc/96/00/83/1449960083.db2.gz RGWIIRDEUJUHJE-RTWAWAEBSA-N 0 1 377.492 3.387 20 0 GGADMN Fc1ccc2oc(C[NH+]3CCN(c4ccccc4-c4nnn[n-]4)CC3)cc2c1 ZINC000826375814 1449960204 /nfs/dbraw/zinc/96/02/04/1449960204.db2.gz COOLLHGZNOQPBO-UHFFFAOYSA-N 0 1 378.411 3.074 20 0 GGADMN COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC000826179913 1449982233 /nfs/dbraw/zinc/98/22/33/1449982233.db2.gz KNMBYNSLABCRHA-SNVBAGLBSA-N 0 1 375.379 3.013 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737511710 1450005283 /nfs/dbraw/zinc/00/52/83/1450005283.db2.gz MPHVRJQXWXMDBH-AWEZNQCLSA-N 0 1 396.886 3.152 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737511710 1450005285 /nfs/dbraw/zinc/00/52/85/1450005285.db2.gz MPHVRJQXWXMDBH-AWEZNQCLSA-N 0 1 396.886 3.152 20 0 GGADMN Oc1cccc(C[N@@H+](CCCOc2cccc(-c3nn[n-]n3)c2)CC2CC2)c1 ZINC000823733061 1450032833 /nfs/dbraw/zinc/03/28/33/1450032833.db2.gz SUISQFCSRVYIHJ-UHFFFAOYSA-N 0 1 379.464 3.253 20 0 GGADMN Oc1cccc(C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)CC2CC2)c1 ZINC000823733061 1450032838 /nfs/dbraw/zinc/03/28/38/1450032838.db2.gz SUISQFCSRVYIHJ-UHFFFAOYSA-N 0 1 379.464 3.253 20 0 GGADMN Oc1cccc(C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)CC2CC2)c1 ZINC000823733061 1450032844 /nfs/dbraw/zinc/03/28/44/1450032844.db2.gz SUISQFCSRVYIHJ-UHFFFAOYSA-N 0 1 379.464 3.253 20 0 GGADMN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824536952 1450036584 /nfs/dbraw/zinc/03/65/84/1450036584.db2.gz AVGNHDVHXXFVEJ-RVKKMQEKSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536952 1450036592 /nfs/dbraw/zinc/03/65/92/1450036592.db2.gz AVGNHDVHXXFVEJ-RVKKMQEKSA-N 0 1 380.471 3.319 20 0 GGADMN C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824536952 1450036599 /nfs/dbraw/zinc/03/65/99/1450036599.db2.gz AVGNHDVHXXFVEJ-RVKKMQEKSA-N 0 1 380.471 3.319 20 0 GGADMN Cc1c(Cl)cnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238916 1450049984 /nfs/dbraw/zinc/04/99/84/1450049984.db2.gz SLRNDQAPKRDDNC-MRXNPFEDSA-N 0 1 383.887 3.473 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000826183617 1450064338 /nfs/dbraw/zinc/06/43/38/1450064338.db2.gz VDQOLVREAVMWTH-HZPDHXFCSA-N 0 1 385.493 3.025 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822548568 1450083050 /nfs/dbraw/zinc/08/30/50/1450083050.db2.gz MERHJGXAVWUAFO-UHFFFAOYSA-N 0 1 386.431 3.065 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822548568 1450083058 /nfs/dbraw/zinc/08/30/58/1450083058.db2.gz MERHJGXAVWUAFO-UHFFFAOYSA-N 0 1 386.431 3.065 20 0 GGADMN C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824893304 1450085429 /nfs/dbraw/zinc/08/54/29/1450085429.db2.gz PZRISJJKNNHYDR-HNAYVOBHSA-N 0 1 379.464 3.103 20 0 GGADMN C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103472 1450094541 /nfs/dbraw/zinc/09/45/41/1450094541.db2.gz YNBRZOLTDPTEPG-YVEFUNNKSA-N 0 1 384.871 3.000 20 0 GGADMN CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736393171 1450095850 /nfs/dbraw/zinc/09/58/50/1450095850.db2.gz UGVPHNTZXWGUST-KRWDZBQOSA-N 0 1 383.887 3.188 20 0 GGADMN CC(=O)c1ccc(-c2nn[n-]n2)c(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000824015404 1450106248 /nfs/dbraw/zinc/10/62/48/1450106248.db2.gz SOMBDGKKMFSKAE-UHFFFAOYSA-N 0 1 376.464 3.146 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569661 1450107289 /nfs/dbraw/zinc/10/72/89/1450107289.db2.gz JKZRIPBJVFINMJ-BDJLRTHQSA-N 0 1 388.269 3.013 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826503159 1450108757 /nfs/dbraw/zinc/10/87/57/1450108757.db2.gz RUUGUBUPRZLDEM-LPHOPBHVSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826503159 1450108762 /nfs/dbraw/zinc/10/87/62/1450108762.db2.gz RUUGUBUPRZLDEM-LPHOPBHVSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826503159 1450108767 /nfs/dbraw/zinc/10/87/67/1450108767.db2.gz RUUGUBUPRZLDEM-LPHOPBHVSA-N 0 1 385.418 3.233 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548369 1450111331 /nfs/dbraw/zinc/11/13/31/1450111331.db2.gz PDSFKBGHXZOVIB-DOMZBBRYSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548369 1450111337 /nfs/dbraw/zinc/11/13/37/1450111337.db2.gz PDSFKBGHXZOVIB-DOMZBBRYSA-N 0 1 398.442 3.032 20 0 GGADMN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820236025 1450125072 /nfs/dbraw/zinc/12/50/72/1450125072.db2.gz WENFOYHRNUQSSW-LPHOPBHVSA-N 0 1 393.491 3.350 20 0 GGADMN c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000826520389 1450135349 /nfs/dbraw/zinc/13/53/49/1450135349.db2.gz IFMKGZXPYDQZDG-LPHOPBHVSA-N 0 1 379.464 3.003 20 0 GGADMN COc1ccc(C[NH+]2CCC(c3nc(C)c(C)s3)CC2)cc1-c1nn[n-]n1 ZINC000826194852 1450136174 /nfs/dbraw/zinc/13/61/74/1450136174.db2.gz XXXCFYBDKMBQBX-UHFFFAOYSA-N 0 1 384.509 3.328 20 0 GGADMN COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191639 1450136415 /nfs/dbraw/zinc/13/64/15/1450136415.db2.gz MAIZTXFFHMGOEP-GJZGRUSLSA-N 0 1 381.480 3.413 20 0 GGADMN CC1CCN(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)c[nH+]2)CC1 ZINC000736278519 1450158752 /nfs/dbraw/zinc/15/87/52/1450158752.db2.gz FZVAHMLPVGLAME-UHFFFAOYSA-N 0 1 384.875 3.159 20 0 GGADMN CC[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2C1 ZINC000820908518 1450161402 /nfs/dbraw/zinc/16/14/02/1450161402.db2.gz NAGSQYNUYVNYCC-IIBYNOLFSA-N 0 1 376.508 3.354 20 0 GGADMN CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000825639502 1450163062 /nfs/dbraw/zinc/16/30/62/1450163062.db2.gz YKCILMQONCJQMF-GOSISDBHSA-N 0 1 379.464 3.441 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825126953 1450163947 /nfs/dbraw/zinc/16/39/47/1450163947.db2.gz KLACQHBJDVZPNF-KRWDZBQOSA-N 0 1 379.464 3.106 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825126953 1450163952 /nfs/dbraw/zinc/16/39/52/1450163952.db2.gz KLACQHBJDVZPNF-KRWDZBQOSA-N 0 1 379.464 3.106 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825126953 1450163959 /nfs/dbraw/zinc/16/39/59/1450163959.db2.gz KLACQHBJDVZPNF-KRWDZBQOSA-N 0 1 379.464 3.106 20 0 GGADMN COc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804349 1450171546 /nfs/dbraw/zinc/17/15/46/1450171546.db2.gz LSKUEMJAPHHHTD-FQEVSTJZSA-N 0 1 392.507 3.192 20 0 GGADMN COc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804349 1450171550 /nfs/dbraw/zinc/17/15/50/1450171550.db2.gz LSKUEMJAPHHHTD-FQEVSTJZSA-N 0 1 392.507 3.192 20 0 GGADMN COc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821804349 1450171555 /nfs/dbraw/zinc/17/15/55/1450171555.db2.gz LSKUEMJAPHHHTD-FQEVSTJZSA-N 0 1 392.507 3.192 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000822718282 1450182568 /nfs/dbraw/zinc/18/25/68/1450182568.db2.gz GNYBFDCUDICIFI-UHFFFAOYSA-N 0 1 380.418 3.198 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820995638 1450193521 /nfs/dbraw/zinc/19/35/21/1450193521.db2.gz VINHTLBAGCGNNG-TYCQWZJGSA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820995638 1450193527 /nfs/dbraw/zinc/19/35/27/1450193527.db2.gz VINHTLBAGCGNNG-TYCQWZJGSA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820995638 1450193534 /nfs/dbraw/zinc/19/35/34/1450193534.db2.gz VINHTLBAGCGNNG-TYCQWZJGSA-N 0 1 377.492 3.416 20 0 GGADMN C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736140524 1450202463 /nfs/dbraw/zinc/20/24/63/1450202463.db2.gz XDXPSDVWKDUPDT-LIRRHRJNSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736140524 1450202466 /nfs/dbraw/zinc/20/24/66/1450202466.db2.gz XDXPSDVWKDUPDT-LIRRHRJNSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824546173 1450210394 /nfs/dbraw/zinc/21/03/94/1450210394.db2.gz GSJRHSZHOCSCAR-UKRRQHHQSA-N 0 1 384.434 3.465 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000737032096 1450212071 /nfs/dbraw/zinc/21/20/71/1450212071.db2.gz HMSXRIDRSSFBIM-CYBMUJFWSA-N 0 1 383.427 3.013 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000737032096 1450212074 /nfs/dbraw/zinc/21/20/74/1450212074.db2.gz HMSXRIDRSSFBIM-CYBMUJFWSA-N 0 1 383.427 3.013 20 0 GGADMN COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)c1 ZINC000826214296 1450213094 /nfs/dbraw/zinc/21/30/94/1450213094.db2.gz HFLLSRLAWKMVEP-IIBYNOLFSA-N 0 1 392.507 3.363 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532443 1450237134 /nfs/dbraw/zinc/23/71/34/1450237134.db2.gz UIYVKAMNLOWUAJ-CHWSQXEVSA-N 0 1 396.426 3.374 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1-c1nnn[n-]1 ZINC000826202876 1450243268 /nfs/dbraw/zinc/24/32/68/1450243268.db2.gz QXOZZIVZNVXNQH-QAPCUYQASA-N 0 1 384.528 3.008 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1-c1nn[n-]n1 ZINC000826202876 1450243270 /nfs/dbraw/zinc/24/32/70/1450243270.db2.gz QXOZZIVZNVXNQH-QAPCUYQASA-N 0 1 384.528 3.008 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)C1 ZINC000820709026 1450254324 /nfs/dbraw/zinc/25/43/24/1450254324.db2.gz BZPZOHKMKXWQLR-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820709026 1450254325 /nfs/dbraw/zinc/25/43/25/1450254325.db2.gz BZPZOHKMKXWQLR-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820709026 1450254329 /nfs/dbraw/zinc/25/43/29/1450254329.db2.gz BZPZOHKMKXWQLR-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820420338 1450258164 /nfs/dbraw/zinc/25/81/64/1450258164.db2.gz PDWQXROOGZBBCB-GJZGRUSLSA-N 0 1 386.500 3.164 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825307750 1450278803 /nfs/dbraw/zinc/27/88/03/1450278803.db2.gz OQHAFWJDYPZASQ-UHFFFAOYSA-N 0 1 378.480 3.375 20 0 GGADMN CCC[N@H+](CC)Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825307750 1450278807 /nfs/dbraw/zinc/27/88/07/1450278807.db2.gz OQHAFWJDYPZASQ-UHFFFAOYSA-N 0 1 378.480 3.375 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825307750 1450278810 /nfs/dbraw/zinc/27/88/10/1450278810.db2.gz OQHAFWJDYPZASQ-UHFFFAOYSA-N 0 1 378.480 3.375 20 0 GGADMN CCCN(CC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000825313784 1450280358 /nfs/dbraw/zinc/28/03/58/1450280358.db2.gz RBYBEHQBAZLCQB-CYBMUJFWSA-N 0 1 392.479 3.304 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000737032434 1450281177 /nfs/dbraw/zinc/28/11/77/1450281177.db2.gz LFWMFIIPOHHWOF-HXUWFJFHSA-N 0 1 379.464 3.385 20 0 GGADMN C[N@@H+](CCOCC1CC1)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825942157 1450283386 /nfs/dbraw/zinc/28/33/86/1450283386.db2.gz YZDMGRLVFXEQIX-UHFFFAOYSA-N 0 1 393.491 3.304 20 0 GGADMN CC(C)(C)[N@@H+](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1 ZINC000819914071 1450302592 /nfs/dbraw/zinc/30/25/92/1450302592.db2.gz JQMSXFIEJJWALR-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN Cc1c(Cl)cnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1-c1nn[n-]n1 ZINC000826239461 1450304904 /nfs/dbraw/zinc/30/49/04/1450304904.db2.gz IGQRFPILJYIUMB-AWEZNQCLSA-N 0 1 375.839 3.077 20 0 GGADMN COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826220187 1450308304 /nfs/dbraw/zinc/30/83/04/1450308304.db2.gz FOSRFWLSXPCQSK-HUUCEWRRSA-N 0 1 396.470 3.192 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cc1 ZINC000822724089 1450316318 /nfs/dbraw/zinc/31/63/18/1450316318.db2.gz YRNXYDBJFITJOJ-GFCCVEGCSA-N 0 1 394.426 3.316 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC000826220398 1450321508 /nfs/dbraw/zinc/32/15/08/1450321508.db2.gz MQZVOLSJAKIUHI-GJZGRUSLSA-N 0 1 396.470 3.192 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826502166 1450327504 /nfs/dbraw/zinc/32/75/04/1450327504.db2.gz XIGYVYPRBZVMDX-QUCCMNQESA-N 0 1 378.480 3.130 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502166 1450327510 /nfs/dbraw/zinc/32/75/10/1450327510.db2.gz XIGYVYPRBZVMDX-QUCCMNQESA-N 0 1 378.480 3.130 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502166 1450327515 /nfs/dbraw/zinc/32/75/15/1450327515.db2.gz XIGYVYPRBZVMDX-QUCCMNQESA-N 0 1 378.480 3.130 20 0 GGADMN Cc1ccc(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)c(OC[C@@H]2CCCO2)c1 ZINC000822238741 1450332946 /nfs/dbraw/zinc/33/29/46/1450332946.db2.gz SIFSEPUDKICGAQ-KRWDZBQOSA-N 0 1 394.479 3.357 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NC3CC[NH+](C(C)(C)C)CC3)c2c1 ZINC000822195071 1450342078 /nfs/dbraw/zinc/34/20/78/1450342078.db2.gz GDUJKZRWCJTCMI-UHFFFAOYSA-N 0 1 379.512 3.128 20 0 GGADMN c1ccc(C[NH+]2CCC(Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826521196 1450342176 /nfs/dbraw/zinc/34/21/76/1450342176.db2.gz DGLUBOYUZOEWRZ-UHFFFAOYSA-N 0 1 385.475 3.491 20 0 GGADMN O=C(CC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)Nc1cccc(F)c1 ZINC000826406613 1450361450 /nfs/dbraw/zinc/36/14/50/1450361450.db2.gz FITOSDUNSQWFKT-UHFFFAOYSA-N 0 1 392.438 3.124 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccs1 ZINC000821623633 1450366313 /nfs/dbraw/zinc/36/63/13/1450366313.db2.gz OWFWZHYBTUERHF-WMLDXEAASA-N 0 1 397.508 3.133 20 0 GGADMN CCc1ccc2c(C[NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000821486396 1450366394 /nfs/dbraw/zinc/36/63/94/1450366394.db2.gz FNGFFJAATGCOPZ-CYBMUJFWSA-N 0 1 375.432 3.386 20 0 GGADMN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736802834 1450367007 /nfs/dbraw/zinc/36/70/07/1450367007.db2.gz YENLBSUIHROZHQ-UHFFFAOYSA-N 0 1 377.370 3.396 20 0 GGADMN CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821196617 1450373113 /nfs/dbraw/zinc/37/31/13/1450373113.db2.gz CFJJZCFBXKKLAF-UHFFFAOYSA-N 0 1 393.495 3.339 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824304828 1450375409 /nfs/dbraw/zinc/37/54/09/1450375409.db2.gz FPOJAZLGCCHCSF-CYBMUJFWSA-N 0 1 397.458 3.387 20 0 GGADMN COCCOc1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000826162880 1450386860 /nfs/dbraw/zinc/38/68/60/1450386860.db2.gz WOEVUZHVJYAGCU-UHFFFAOYSA-N 0 1 381.480 3.303 20 0 GGADMN COCCOc1ccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000826162880 1450386867 /nfs/dbraw/zinc/38/68/67/1450386867.db2.gz WOEVUZHVJYAGCU-UHFFFAOYSA-N 0 1 381.480 3.303 20 0 GGADMN COCCOc1ccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000826162880 1450386873 /nfs/dbraw/zinc/38/68/73/1450386873.db2.gz WOEVUZHVJYAGCU-UHFFFAOYSA-N 0 1 381.480 3.303 20 0 GGADMN Cc1c(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822095636 1450396086 /nfs/dbraw/zinc/39/60/86/1450396086.db2.gz FLHMWBPGOKAICL-HUUCEWRRSA-N 0 1 385.516 3.055 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826297649 1450399134 /nfs/dbraw/zinc/39/91/34/1450399134.db2.gz NZVFZYAKFLZXIO-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN Cc1cccc(C2=CC[N@H+](CCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826297649 1450399139 /nfs/dbraw/zinc/39/91/39/1450399139.db2.gz NZVFZYAKFLZXIO-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826297649 1450399141 /nfs/dbraw/zinc/39/91/41/1450399141.db2.gz NZVFZYAKFLZXIO-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000821702269 1450410217 /nfs/dbraw/zinc/41/02/17/1450410217.db2.gz NWKLBRYAMDVKLF-KBXCAEBGSA-N 0 1 397.454 3.476 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885921 1450438134 /nfs/dbraw/zinc/43/81/34/1450438134.db2.gz VDIWHQLYMADOIU-RBSFLKMASA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885921 1450438141 /nfs/dbraw/zinc/43/81/41/1450438141.db2.gz VDIWHQLYMADOIU-RBSFLKMASA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885921 1450438144 /nfs/dbraw/zinc/43/81/44/1450438144.db2.gz VDIWHQLYMADOIU-RBSFLKMASA-N 0 1 386.500 3.163 20 0 GGADMN Clc1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1-c1nnn[n-]1 ZINC000737574744 1450440235 /nfs/dbraw/zinc/44/02/35/1450440235.db2.gz OSPDHLSBPDKIPW-HNNXBMFYSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000737574744 1450440238 /nfs/dbraw/zinc/44/02/38/1450440238.db2.gz OSPDHLSBPDKIPW-HNNXBMFYSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000737574744 1450440239 /nfs/dbraw/zinc/44/02/39/1450440239.db2.gz OSPDHLSBPDKIPW-HNNXBMFYSA-N 0 1 383.887 3.382 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)C2)CC1 ZINC000824956597 1450442387 /nfs/dbraw/zinc/44/23/87/1450442387.db2.gz TYMBFSDORUWLJC-KRWDZBQOSA-N 0 1 391.523 3.363 20 0 GGADMN COc1ccc2[nH]cc(C3CC[NH+](Cc4ccnc(-c5nn[n-]n5)c4)CC3)c2c1 ZINC000826212289 1450457405 /nfs/dbraw/zinc/45/74/05/1450457405.db2.gz LYLPCRYQUZMIKU-UHFFFAOYSA-N 0 1 389.463 3.131 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2O)cc1)C(C)C ZINC000821222761 1450462562 /nfs/dbraw/zinc/46/25/62/1450462562.db2.gz YRDCTJMDQOKJGN-UHFFFAOYSA-N 0 1 380.452 3.055 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2O)cc1)C(C)C ZINC000821222761 1450462567 /nfs/dbraw/zinc/46/25/67/1450462567.db2.gz YRDCTJMDQOKJGN-UHFFFAOYSA-N 0 1 380.452 3.055 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2O)cc1)C(C)C ZINC000821222761 1450462574 /nfs/dbraw/zinc/46/25/74/1450462574.db2.gz YRDCTJMDQOKJGN-UHFFFAOYSA-N 0 1 380.452 3.055 20 0 GGADMN CC(C)[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1C ZINC000824216176 1450475033 /nfs/dbraw/zinc/47/50/33/1450475033.db2.gz OTSRPWREXWFNIC-IPELMVKDSA-N 0 1 383.544 3.281 20 0 GGADMN C[C@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655768 1450503000 /nfs/dbraw/zinc/50/30/00/1450503000.db2.gz CBIXENYDRVZSBY-GOEBONIOSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655768 1450503003 /nfs/dbraw/zinc/50/30/03/1450503003.db2.gz CBIXENYDRVZSBY-GOEBONIOSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655768 1450503007 /nfs/dbraw/zinc/50/30/07/1450503007.db2.gz CBIXENYDRVZSBY-GOEBONIOSA-N 0 1 397.914 3.404 20 0 GGADMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(O[C@@H]2CCOC2)c1 ZINC000826288703 1450516651 /nfs/dbraw/zinc/51/66/51/1450516651.db2.gz SMMGHFIGNGICLJ-WMLDXEAASA-N 0 1 397.454 3.333 20 0 GGADMN C[C@@H]1CN(c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)[C@@H](C)CN1C ZINC001164640988 719216285 /nfs/dbraw/zinc/21/62/85/719216285.db2.gz ULMGOPHZQHIGGN-NEPJUHHUSA-N 0 1 396.919 3.394 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164667605 719402036 /nfs/dbraw/zinc/40/20/36/719402036.db2.gz ODIQBNNSXNPAJB-RBUKOAKNSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@H]21 ZINC001164671925 719402514 /nfs/dbraw/zinc/40/25/14/719402514.db2.gz ZXEDDTSXNMSJRO-RTBURBONSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164667603 719402781 /nfs/dbraw/zinc/40/27/81/719402781.db2.gz ODIQBNNSXNPAJB-MOPGFXCFSA-N 0 1 380.879 3.469 20 0 GGADMN Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@H]4OCCN(C)[C@H]4C3)c2c1 ZINC001164666850 719402950 /nfs/dbraw/zinc/40/29/50/719402950.db2.gz LWJYEPDPJSCRDY-VQTJNVASSA-N 0 1 378.451 3.264 20 0 GGADMN Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4OCCN(C)[C@H]4C3)c2c1 ZINC001164666840 719403149 /nfs/dbraw/zinc/40/31/49/719403149.db2.gz LWJYEPDPJSCRDY-PMACEKPBSA-N 0 1 378.451 3.264 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@H]21 ZINC001164670580 719436116 /nfs/dbraw/zinc/43/61/16/719436116.db2.gz ORSSCYVSZCINTR-RTBURBONSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@@H]21 ZINC001164669413 719458061 /nfs/dbraw/zinc/45/80/61/719458061.db2.gz UMDCTIGTXLFZBK-ROUUACIJSA-N 0 1 378.501 3.391 20 0 GGADMN CN1CCO[C@@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@@H]21 ZINC001164669414 719458148 /nfs/dbraw/zinc/45/81/48/719458148.db2.gz UMDCTIGTXLFZBK-ZWKOTPCHSA-N 0 1 378.501 3.391 20 0 GGADMN CN1CCO[C@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)C[C@H]21 ZINC001164666255 719469839 /nfs/dbraw/zinc/46/98/39/719469839.db2.gz CNLJZHCCPULMIO-YADHBBJMSA-N 0 1 388.471 3.455 20 0 GGADMN CN1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C[C@@H]21 ZINC001164669815 719479947 /nfs/dbraw/zinc/47/99/47/719479947.db2.gz VUFFSVUJQWKKFD-LSDHHAIUSA-N 0 1 381.263 3.095 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ncc(OC(F)F)cn2)CC3)cs1 ZINC001164692110 719810238 /nfs/dbraw/zinc/81/02/38/719810238.db2.gz GIUFSNBVQZAJQT-UHFFFAOYSA-N 0 1 395.479 3.478 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ccc(Cl)c[n+]2[O-])CC3)cs1 ZINC001164692111 719812434 /nfs/dbraw/zinc/81/24/34/719812434.db2.gz LWVBYUJRYIUVAI-UHFFFAOYSA-N 0 1 378.929 3.373 20 0 GGADMN CCNC(=O)c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164691293 719813367 /nfs/dbraw/zinc/81/33/67/719813367.db2.gz DTTXRJJJAITMBD-UHFFFAOYSA-N 0 1 399.564 3.231 20 0 GGADMN Cc1c[nH]c2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164696749 719886204 /nfs/dbraw/zinc/88/62/04/719886204.db2.gz AWKPZCZKEZGTJY-UHFFFAOYSA-N 0 1 383.521 3.199 20 0 GGADMN CSc1nccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164703393 719886754 /nfs/dbraw/zinc/88/67/54/719886754.db2.gz SFAMTYRZOVHCNG-UHFFFAOYSA-N 0 1 376.551 3.131 20 0 GGADMN COc1nc(Cl)cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164696776 719886884 /nfs/dbraw/zinc/88/68/84/719886884.db2.gz BDVYCSVEPIWGDE-UHFFFAOYSA-N 0 1 394.928 3.072 20 0 GGADMN CSc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ncn1 ZINC001164694867 719888100 /nfs/dbraw/zinc/88/81/00/719888100.db2.gz FXMRFVXJQSSMAZ-UHFFFAOYSA-N 0 1 376.551 3.131 20 0 GGADMN Cc1nc2[nH]ccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164696145 719888735 /nfs/dbraw/zinc/88/87/35/719888735.db2.gz ZNNNSARKNBEJAO-UHFFFAOYSA-N 0 1 383.521 3.199 20 0 GGADMN Cc1nc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc2n1C ZINC001164699279 719893062 /nfs/dbraw/zinc/89/30/62/719893062.db2.gz YSJZGEULAIFVBX-UHFFFAOYSA-N 0 1 397.548 3.210 20 0 GGADMN Nc1nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ccc1Cl ZINC001164707566 719908125 /nfs/dbraw/zinc/90/81/25/719908125.db2.gz UFLCDZIDNHOANP-UHFFFAOYSA-N 0 1 378.929 3.250 20 0 GGADMN CCO[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164715108 720059633 /nfs/dbraw/zinc/05/96/33/720059633.db2.gz RRDFRKUMDRQJHZ-ZDXQCDESSA-N 0 1 393.531 3.413 20 0 GGADMN Clc1nc2c(c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n1)CSCC2 ZINC001164727749 720345242 /nfs/dbraw/zinc/34/52/42/720345242.db2.gz UKVRXAARKWYRCP-IAGOWNOFSA-N 0 1 387.940 3.168 20 0 GGADMN CC(C)(C)OC(=O)Nc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ncn1 ZINC001164727303 720350306 /nfs/dbraw/zinc/35/03/06/720350306.db2.gz STBCSQRENWLFGV-DLBZAZTESA-N 0 1 396.495 3.072 20 0 GGADMN c1ccc(COc2cncc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725572 720352384 /nfs/dbraw/zinc/35/23/84/720352384.db2.gz NTSJIRBYAWOYLL-RTWAWAEBSA-N 0 1 387.487 3.304 20 0 GGADMN c1ccc(COc2cnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cn2)cc1 ZINC001164726917 720415803 /nfs/dbraw/zinc/41/58/03/720415803.db2.gz CGQYRAGKOAHXMT-LEWJYISDSA-N 0 1 387.487 3.304 20 0 GGADMN Clc1nnc(N2CCc3ncc(CN4CCCC4)n3CC2)c2ccccc12 ZINC001164734277 720552434 /nfs/dbraw/zinc/55/24/34/720552434.db2.gz YKYMBRMDRLMAKZ-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN c1nc2n(c1CN1CCCC1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164732650 720554801 /nfs/dbraw/zinc/55/48/01/720554801.db2.gz BQNHQLHTDKQUBA-UHFFFAOYSA-N 0 1 390.491 3.124 20 0 GGADMN COc1cccc2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc21 ZINC001164733361 720555726 /nfs/dbraw/zinc/55/57/26/720555726.db2.gz MBOGTNFWIYUNOK-UHFFFAOYSA-N 0 1 377.492 3.098 20 0 GGADMN Clc1ccc2ncc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2c1 ZINC001164728088 720561783 /nfs/dbraw/zinc/56/17/83/720561783.db2.gz JABFDELSXNBZAR-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Cc1ccc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)nc1Cl ZINC001164728752 720568477 /nfs/dbraw/zinc/56/84/77/720568477.db2.gz LUEVMBJVROLVJN-UHFFFAOYSA-N 0 1 395.885 3.443 20 0 GGADMN Cc1ccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)cc1 ZINC001164736794 720578376 /nfs/dbraw/zinc/57/83/76/720578376.db2.gz UMMDKWRMVRWHNS-UHFFFAOYSA-N 0 1 388.519 3.307 20 0 GGADMN Cc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc(-c2ccsc2)n1 ZINC001164736072 720584999 /nfs/dbraw/zinc/58/49/99/720584999.db2.gz ACEMSIITIREWBK-UHFFFAOYSA-N 0 1 394.548 3.369 20 0 GGADMN Fc1cccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)c1 ZINC001164736113 720586873 /nfs/dbraw/zinc/58/68/73/720586873.db2.gz CTPHYDNSMSDGLG-UHFFFAOYSA-N 0 1 392.482 3.138 20 0 GGADMN c1nc2n(c1CN1CCCC1)CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164736805 720591258 /nfs/dbraw/zinc/59/12/58/720591258.db2.gz URHBOYHCPWSMSX-UHFFFAOYSA-N 0 1 381.524 3.006 20 0 GGADMN Fc1cnc(N2CCc3ncc(CN4CCCC4)n3CC2)nc1-c1ccsc1 ZINC001164741446 720592678 /nfs/dbraw/zinc/59/26/78/720592678.db2.gz LDWHPIYBBXZKKC-UHFFFAOYSA-N 0 1 398.511 3.199 20 0 GGADMN Clc1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740097 720671448 /nfs/dbraw/zinc/67/14/48/720671448.db2.gz PXXWPXXZBNECIY-JKSUJKDBSA-N 0 1 381.867 3.020 20 0 GGADMN Clc1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740094 720672009 /nfs/dbraw/zinc/67/20/09/720672009.db2.gz PXXWPXXZBNECIY-CVEARBPZSA-N 0 1 381.867 3.020 20 0 GGADMN CCOC(=O)c1ccc(C)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164854970 720917776 /nfs/dbraw/zinc/91/77/76/720917776.db2.gz HAKVAZUPWYDQEM-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN CCOC(=O)c1ccc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc1C ZINC001164863087 720918466 /nfs/dbraw/zinc/91/84/66/720918466.db2.gz WXXKWFWFWRGTJQ-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN CCOC(=O)/C=C\c1cccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164861305 720928444 /nfs/dbraw/zinc/92/84/44/720928444.db2.gz SVFHIUKAXRVCST-IBSYWUHOSA-N 0 1 397.523 3.276 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cn1)[C@H]2C ZINC001164861730 720929886 /nfs/dbraw/zinc/92/98/86/720929886.db2.gz ULHGRCKJXCUIMS-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nn1)[C@H]2C ZINC001164857007 720935990 /nfs/dbraw/zinc/93/59/90/720935990.db2.gz FBRGUEBGDFAYBB-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN COC(=O)c1cc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164858517 720936156 /nfs/dbraw/zinc/93/61/56/720936156.db2.gz IXBAWBVHERTRTE-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN COc1nc2ccccc2nc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164857782 720939970 /nfs/dbraw/zinc/93/99/70/720939970.db2.gz HGKJGKAFCBPCHP-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cccnc31)[C@@H]2C ZINC001164856190 720940152 /nfs/dbraw/zinc/94/01/52/720940152.db2.gz CHDPNHRBVMKODA-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN CCOC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c(C)c1 ZINC001164856976 720944263 /nfs/dbraw/zinc/94/42/63/720944263.db2.gz DKAAIVQLUJDSKR-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ncccc3nc1Cl)[C@H]2C ZINC001164860730 720957874 /nfs/dbraw/zinc/95/78/74/720957874.db2.gz RMVKEGATQVCPRT-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN COc1nc(Cl)nc(C)c1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164863164 720959745 /nfs/dbraw/zinc/95/97/45/720959745.db2.gz YLUDTOWGYNHMBG-ZDUSSCGKSA-N 0 1 378.908 3.065 20 0 GGADMN CSc1nc(Cl)ncc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164859298 720961259 /nfs/dbraw/zinc/96/12/59/720961259.db2.gz MGSGGAGKVOBPKK-LBPRGKRZSA-N 0 1 380.949 3.470 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@H](F)Oc1cccc(Cl)n1)[C@H]2C ZINC001164857752 720962683 /nfs/dbraw/zinc/96/26/83/720962683.db2.gz HAOGVIWPRMJFPN-UGSOOPFHSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(Cl)n1)[C@@H]2C ZINC001164857742 720963058 /nfs/dbraw/zinc/96/30/58/720963058.db2.gz HAOGVIWPRMJFPN-FZKQIMNGSA-N 0 1 381.883 3.480 20 0 GGADMN CCOC(=O)c1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)ncc1C ZINC001164859793 720967683 /nfs/dbraw/zinc/96/76/83/720967683.db2.gz NORJKWISDWZGTF-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN COc1cccc2cnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc21 ZINC001164856963 720967847 /nfs/dbraw/zinc/96/78/47/720967847.db2.gz CZLBCXAIMGDCOH-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CSc1cnc(Cl)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859196 720968206 /nfs/dbraw/zinc/96/82/06/720968206.db2.gz LBQIHHAVVLCRCL-GFCCVEGCSA-N 0 1 380.949 3.470 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc(Cl)cnc31)[C@H]2C ZINC001164860390 720972586 /nfs/dbraw/zinc/97/25/86/720972586.db2.gz NUNFRLNLWDRAFG-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN COc1cc2c(cc1F)ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164860685 720980678 /nfs/dbraw/zinc/98/06/78/720980678.db2.gz PJSAKBTXEPBDEF-AWEZNQCLSA-N 0 1 398.486 3.395 20 0 GGADMN COC(OC)c1cc(C)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164864195 720991101 /nfs/dbraw/zinc/99/11/01/720991101.db2.gz ZHKACULIPLNDJR-INIZCTEOSA-N 0 1 387.528 3.299 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nccnc1Cl)[C@@H]2C ZINC001164862414 720993143 /nfs/dbraw/zinc/99/31/43/720993143.db2.gz SHJDSOCJXBJULJ-GFCCVEGCSA-N 0 1 384.862 3.293 20 0 GGADMN CSc1cnc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164857261 720993627 /nfs/dbraw/zinc/99/36/27/720993627.db2.gz FLVBGJXCQKXKOO-LBPRGKRZSA-N 0 1 380.949 3.470 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nccnc1Cl)[C@H]2C ZINC001164862418 720994252 /nfs/dbraw/zinc/99/42/52/720994252.db2.gz SHJDSOCJXBJULJ-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(N)c1)[C@@H]2C ZINC001164857196 720994841 /nfs/dbraw/zinc/99/48/41/720994841.db2.gz CZMFTLMVKLLPHL-GFCCVEGCSA-N 0 1 398.889 3.480 20 0 GGADMN CSc1ncc(Cl)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164858895 720996645 /nfs/dbraw/zinc/99/66/45/720996645.db2.gz IZLJWPWXGIPFEO-GFCCVEGCSA-N 0 1 380.949 3.470 20 0 GGADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc(-c2ccccn2)n1 ZINC001164859724 720998279 /nfs/dbraw/zinc/99/82/79/720998279.db2.gz LUHSVXHQSXHLLP-QGZVFWFLSA-N 0 1 391.523 3.465 20 0 GGADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc(-c2ccncc2)n1 ZINC001164862459 720999490 /nfs/dbraw/zinc/99/94/90/720999490.db2.gz SOYDYDLNGGODIR-QGZVFWFLSA-N 0 1 391.523 3.465 20 0 GGADMN COc1nnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c2ccccc21 ZINC001164862323 721000839 /nfs/dbraw/zinc/00/08/39/721000839.db2.gz RYFDPXUYGNLBMW-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccncc3)ncn1)[C@H]2C ZINC001164862471 721006472 /nfs/dbraw/zinc/00/64/72/721006472.db2.gz SQNWCAFPEKNUDH-INIZCTEOSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccncc3)nn1)[C@H]2C ZINC001164863887 721010577 /nfs/dbraw/zinc/01/05/77/721010577.db2.gz VPZZCXSOYOTQID-INIZCTEOSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)[C@H]2C ZINC001164859621 721021686 /nfs/dbraw/zinc/02/16/86/721021686.db2.gz KFTRYDOSHNIJSQ-ZDUSSCGKSA-N 0 1 399.873 3.136 20 0 GGADMN FC(F)(c1ccnc(Cl)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867077 721046438 /nfs/dbraw/zinc/04/64/38/721046438.db2.gz HNIKPVIZRCNXOL-IRXDYDNUSA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1ccnc(Cl)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867078 721046865 /nfs/dbraw/zinc/04/68/65/721046865.db2.gz HNIKPVIZRCNXOL-SJORKVTESA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1cccc(Cl)n1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869952 721047009 /nfs/dbraw/zinc/04/70/09/721047009.db2.gz USPNBPGNZKIVTG-HZPDHXFCSA-N 0 1 394.853 3.155 20 0 GGADMN CN1CCN(c2cccc(N3CCC[C@]4(C[C@@H](c5ccccc5)CO4)C3)n2)CC1 ZINC001164764968 721059780 /nfs/dbraw/zinc/05/97/80/721059780.db2.gz BYWULGBPBRCHLF-QPPBQGQZSA-N 0 1 392.547 3.377 20 0 GGADMN Clc1nc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870502 721075595 /nfs/dbraw/zinc/07/55/95/721075595.db2.gz WCOOAOLHPUWBHT-IAGOWNOFSA-N 0 1 395.894 3.158 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4F)C[C@@H]3C2)cn1 ZINC001164768233 721078281 /nfs/dbraw/zinc/07/82/81/721078281.db2.gz MOWGCPFPHAUJRM-KGLIPLIRSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc(Cl)ncc4F)C[C@@H]3C2)cn1 ZINC001164762156 721126937 /nfs/dbraw/zinc/12/69/37/721126937.db2.gz CIKLQZXQTCJJHF-KBPBESRZSA-N 0 1 399.848 3.111 20 0 GGADMN CSc1cc(Cl)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873588 721132360 /nfs/dbraw/zinc/13/23/60/721132360.db2.gz ISITZQLGPLSXSS-IRXDYDNUSA-N 0 1 390.940 3.332 20 0 GGADMN CSc1cc(Cl)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164873587 721133137 /nfs/dbraw/zinc/13/31/37/721133137.db2.gz ISITZQLGPLSXSS-IAGOWNOFSA-N 0 1 390.940 3.332 20 0 GGADMN Cc1cc(Cl)ncc1C(F)(F)N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164772280 721135826 /nfs/dbraw/zinc/13/58/26/721135826.db2.gz VDXBQQJJOOTHJH-HZPDHXFCSA-N 0 1 395.885 3.280 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)cc(C(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164773872 721181195 /nfs/dbraw/zinc/18/11/95/721181195.db2.gz XQQKFZKQFGZUER-HZPDHXFCSA-N 0 1 388.947 3.119 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)cc(C(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164773870 721181271 /nfs/dbraw/zinc/18/12/71/721181271.db2.gz XQQKFZKQFGZUER-CVEARBPZSA-N 0 1 388.947 3.119 20 0 GGADMN Cc1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164771870 721181677 /nfs/dbraw/zinc/18/16/77/721181677.db2.gz RNOKENQUOPXGLA-CABCVRRESA-N 0 1 380.323 3.389 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(F)c(C)n3)C2)C1 ZINC001164778601 721331058 /nfs/dbraw/zinc/33/10/58/721331058.db2.gz XPNDZLSXJIQYRR-OAQYLSRUSA-N 0 1 388.487 3.253 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(F)cc3C)C2)C1 ZINC001164776750 721340462 /nfs/dbraw/zinc/34/04/62/721340462.db2.gz CQBIEFKRUMHCMV-NRFANRHFSA-N 0 1 388.487 3.253 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccccc5n4)C3)O2)CC1 ZINC001164888584 721381627 /nfs/dbraw/zinc/38/16/27/721381627.db2.gz KFLJHNJVDAOLMN-NZQKXSOJSA-N 0 1 380.536 3.000 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890892 721382774 /nfs/dbraw/zinc/38/27/74/721382774.db2.gz OXQHDYUMEQZLFP-APWZRJJASA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164884539 721404657 /nfs/dbraw/zinc/40/46/57/721404657.db2.gz DTFLPJBHPXMDFQ-NZQKXSOJSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164884536 721405213 /nfs/dbraw/zinc/40/52/13/721405213.db2.gz DTFLPJBHPXMDFQ-NFBKMPQASA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc(F)cc54)C3)O2)CC1 ZINC001164887065 721414221 /nfs/dbraw/zinc/41/42/21/721414221.db2.gz KTTKRYSSLCGIOI-NZQKXSOJSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5ccsc5cn4)C3)O2)CC1 ZINC001164887721 721420638 /nfs/dbraw/zinc/42/06/38/721420638.db2.gz MQHODOIZMXTEDW-WIYYLYMNSA-N 0 1 386.565 3.062 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cccc(F)c5n4)C3)O2)CC1 ZINC001164896183 721427575 /nfs/dbraw/zinc/42/75/75/721427575.db2.gz QWBOGJPEOOTZFK-AUSIDOKSSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164899844 721436472 /nfs/dbraw/zinc/43/64/72/721436472.db2.gz ZIHXTEXJLGAPJL-NZQKXSOJSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5ccc(F)cc5cn4)C3)O2)CC1 ZINC001164899867 721439042 /nfs/dbraw/zinc/43/90/42/721439042.db2.gz ZLEBXIHXNRGXBU-FYYLOGMGSA-N 0 1 398.526 3.139 20 0 GGADMN CCc1cc2c(ccnc2N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)o1 ZINC001164888012 721450094 /nfs/dbraw/zinc/45/00/94/721450094.db2.gz LMEYANQMUAXLSJ-AUSIDOKSSA-N 0 1 398.551 3.156 20 0 GGADMN CCc1cc2c(ccnc2N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)o1 ZINC001164888020 721450124 /nfs/dbraw/zinc/45/01/24/721450124.db2.gz LMEYANQMUAXLSJ-XXBNENTESA-N 0 1 398.551 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)ncc4Cl)CCN3C2)c1 ZINC001164897003 721513481 /nfs/dbraw/zinc/51/34/81/721513481.db2.gz DFDIDCKLHPTGIY-TZMCWYRMSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ncc4Cl)CCN3C2)c1 ZINC001164896994 721513543 /nfs/dbraw/zinc/51/35/43/721513543.db2.gz DFDIDCKLHPTGIY-GXTWGEPZSA-N 0 1 383.254 3.264 20 0 GGADMN CSc1ncc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164898551 721518817 /nfs/dbraw/zinc/51/88/17/721518817.db2.gz IPMLJFCEWXISBS-ZFWWWQNUSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1nc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C ZINC001164795952 721524822 /nfs/dbraw/zinc/52/48/22/721524822.db2.gz VJOZDXJKEZZKMU-FGTMMUONSA-N 0 1 387.915 3.010 20 0 GGADMN Cc1nc(C(C)C)cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806140 721529655 /nfs/dbraw/zinc/52/96/55/721529655.db2.gz OFDVYBGCBVSVBB-URVUXULASA-N 0 1 381.524 3.172 20 0 GGADMN Cc1nc(C(C)C)cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806134 721529892 /nfs/dbraw/zinc/52/98/92/721529892.db2.gz OFDVYBGCBVSVBB-JAXLGGSGSA-N 0 1 381.524 3.172 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5ncccc5nc4Cl)CCN3C2)c1 ZINC001164904130 721533450 /nfs/dbraw/zinc/53/34/50/721533450.db2.gz FINIGPYRHDTXRG-ZBFHGGJFSA-N 0 1 399.857 3.159 20 0 GGADMN CSc1nc(Cl)ncc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906835 721533780 /nfs/dbraw/zinc/53/37/80/721533780.db2.gz LMYDPBWPXHJJLO-UKRRQHHQSA-N 0 1 394.903 3.333 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnnc(Cl)c4)CCN3C2)c1 ZINC001164903339 721534613 /nfs/dbraw/zinc/53/46/13/721534613.db2.gz CDEYSBDSHMMDJO-HOCLYGCPSA-N 0 1 398.816 3.156 20 0 GGADMN Cc1nc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164903373 721535263 /nfs/dbraw/zinc/53/52/63/721535263.db2.gz CFPLECWIWGRLBX-WBVHZDCISA-N 0 1 376.863 3.228 20 0 GGADMN CSc1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905273 721537517 /nfs/dbraw/zinc/53/75/17/721537517.db2.gz IASNCXQYUPVKNO-HIFRSBDPSA-N 0 1 394.903 3.333 20 0 GGADMN CCOc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912443 721538504 /nfs/dbraw/zinc/53/85/04/721538504.db2.gz ZUMXBEDAPOQOLS-GOEBONIOSA-N 0 1 392.862 3.010 20 0 GGADMN Cc1nc2ccccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164809948 721539204 /nfs/dbraw/zinc/53/92/04/721539204.db2.gz VXDUIQQHDWMUIP-BHIFYINESA-N 0 1 389.503 3.201 20 0 GGADMN Cc1ccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164804395 721539851 /nfs/dbraw/zinc/53/98/51/721539851.db2.gz JQVZDZCYMZBLQF-FDFHNCONSA-N 0 1 389.503 3.201 20 0 GGADMN Cc1ccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164804405 721540080 /nfs/dbraw/zinc/54/00/80/721540080.db2.gz JQVZDZCYMZBLQF-FKBYEOEOSA-N 0 1 389.503 3.201 20 0 GGADMN Cc1c[nH]c2nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ccc12 ZINC001164807811 721543338 /nfs/dbraw/zinc/54/33/38/721543338.db2.gz RJZJPDLPPBKIFI-SVFBPWRDSA-N 0 1 377.492 3.135 20 0 GGADMN COc1cc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164808440 721545146 /nfs/dbraw/zinc/54/51/46/721545146.db2.gz SIALKBDGODQNOT-SYNHAJSKSA-N 0 1 388.899 3.007 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCCC3)[C@@H]2CCCO[C@@H]12 ZINC001164811134 721547919 /nfs/dbraw/zinc/54/79/19/721547919.db2.gz YVGYBTPHVDQMLH-MQSCRBSSSA-N 0 1 378.520 3.224 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nccnc4Cl)CCN3C2)c1 ZINC001164909823 721549194 /nfs/dbraw/zinc/54/91/94/721549194.db2.gz SAFSVLVIDWXAOM-DZGCQCFKSA-N 0 1 398.816 3.156 20 0 GGADMN CSc1cnc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903905 721550121 /nfs/dbraw/zinc/55/01/21/721550121.db2.gz DJDJKTSONPUVNU-DZGCQCFKSA-N 0 1 394.903 3.333 20 0 GGADMN CC(C)Oc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164801819 721559897 /nfs/dbraw/zinc/55/98/97/721559897.db2.gz HHVZDVFLUBDRJB-ONTIZHBOSA-N 0 1 382.508 3.132 20 0 GGADMN CC(C)Oc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164801816 721560077 /nfs/dbraw/zinc/56/00/77/721560077.db2.gz HHVZDVFLUBDRJB-JAXLGGSGSA-N 0 1 382.508 3.132 20 0 GGADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806371 721566221 /nfs/dbraw/zinc/56/62/21/721566221.db2.gz QIHSHMPLOYYPKV-FHWLQOOXSA-N 0 1 388.899 3.007 20 0 GGADMN CCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C)n1 ZINC001164810453 721566724 /nfs/dbraw/zinc/56/67/24/721566724.db2.gz YJHVNJCNRRJSAQ-RZUBCFFCSA-N 0 1 381.524 3.001 20 0 GGADMN CCc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)nc1C ZINC001164904253 721566999 /nfs/dbraw/zinc/56/69/99/721566999.db2.gz DPNZAEHUELYQQA-WBVHZDCISA-N 0 1 390.890 3.482 20 0 GGADMN Cc1cc2c(ccnc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC001164811502 721582091 /nfs/dbraw/zinc/58/20/91/721582091.db2.gz XXJXBPURPYTNFD-DYXWJJEUSA-N 0 1 378.476 3.399 20 0 GGADMN Cc1cc2c(ccnc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)o1 ZINC001164811510 721582357 /nfs/dbraw/zinc/58/23/57/721582357.db2.gz XXJXBPURPYTNFD-IRFCIJBXSA-N 0 1 378.476 3.399 20 0 GGADMN FC1(F)CCN(c2ncc(Cl)cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164903306 721583401 /nfs/dbraw/zinc/58/34/01/721583401.db2.gz LGGVTRHSTFABAN-KRWDZBQOSA-N 0 1 379.842 3.263 20 0 GGADMN FC1(F)CCN(c2ncc(Cl)cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164903307 721583722 /nfs/dbraw/zinc/58/37/22/721583722.db2.gz LGGVTRHSTFABAN-QGZVFWFLSA-N 0 1 379.842 3.263 20 0 GGADMN FC1(F)CCN(c2cncc(Cl)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908299 721584781 /nfs/dbraw/zinc/58/47/81/721584781.db2.gz YFVDNJOIWFOGHX-QGZVFWFLSA-N 0 1 379.842 3.263 20 0 GGADMN Cc1cc2ccncc2nc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802624 721586287 /nfs/dbraw/zinc/58/62/87/721586287.db2.gz HKJLJLGYFVOJGV-BHIFYINESA-N 0 1 389.503 3.201 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C3CCC3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164812269 721586456 /nfs/dbraw/zinc/58/64/56/721586456.db2.gz ZUILGUYEBNWIDP-TUNNFDKTSA-N 0 1 379.508 3.007 20 0 GGADMN CSCc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164810901 721587417 /nfs/dbraw/zinc/58/74/17/721587417.db2.gz WQXVAPRKCUASBA-IRFCIJBXSA-N 0 1 384.549 3.208 20 0 GGADMN FC1(F)CCN(c2cncnc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907091 721587572 /nfs/dbraw/zinc/58/75/72/721587572.db2.gz RLMUASNSDAFDAI-KRWDZBQOSA-N 0 1 379.842 3.263 20 0 GGADMN CCSc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164800114 721587601 /nfs/dbraw/zinc/58/76/01/721587601.db2.gz BZUPLJPNMPSZPT-SVFBPWRDSA-N 0 1 384.549 3.457 20 0 GGADMN CCSc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164800111 721587949 /nfs/dbraw/zinc/58/79/49/721587949.db2.gz BZUPLJPNMPSZPT-DYXWJJEUSA-N 0 1 384.549 3.457 20 0 GGADMN CCOc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164905427 721697278 /nfs/dbraw/zinc/69/72/78/721697278.db2.gz JCTMLGYLYIKGBQ-LJQANCHMSA-N 0 1 389.450 3.008 20 0 GGADMN [O-][n+]1c(Cl)cccc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904881 721699651 /nfs/dbraw/zinc/69/96/51/721699651.db2.gz HLGGQRNUXOWMJF-GOSISDBHSA-N 0 1 394.853 3.106 20 0 GGADMN Fc1cc(Cl)nnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904922 721705726 /nfs/dbraw/zinc/70/57/26/721705726.db2.gz FPGWQXAMOALGHN-QGZVFWFLSA-N 0 1 397.832 3.402 20 0 GGADMN CSc1cncc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912915 721729635 /nfs/dbraw/zinc/72/96/35/721729635.db2.gz RDWPTVPISUHODA-GOSISDBHSA-N 0 1 391.491 3.331 20 0 GGADMN Cc1cccc2c(C)cc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nc12 ZINC001165008756 721730992 /nfs/dbraw/zinc/73/09/92/721730992.db2.gz PXGWFYDTFLRWST-UHFFFAOYSA-N 0 1 380.536 3.375 20 0 GGADMN Cc1c(Cl)cnc(Cl)c1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165009619 721743334 /nfs/dbraw/zinc/74/33/34/721743334.db2.gz HCIJXGZRLBCUOF-UHFFFAOYSA-N 0 1 385.339 3.220 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3ncccc32)CC1 ZINC001165020262 721839135 /nfs/dbraw/zinc/83/91/35/721839135.db2.gz HBEFFFGHGFSRDG-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)nc3[nH]ccc32)CC1 ZINC001165023458 721839309 /nfs/dbraw/zinc/83/93/09/721839309.db2.gz YJULTWMGCXIZDD-UHFFFAOYSA-N 0 1 395.507 3.384 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(C3CC3)nn2)CC1 ZINC001165022066 721841515 /nfs/dbraw/zinc/84/15/15/721841515.db2.gz OVODEMHDQLMKPX-UHFFFAOYSA-N 0 1 382.508 3.472 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc3ncsc3n2)CC1 ZINC001165020232 721842190 /nfs/dbraw/zinc/84/21/90/721842190.db2.gz AHEYLXGZEVUCMH-UHFFFAOYSA-N 0 1 399.520 3.204 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(SC)cn2)CC1 ZINC001165020418 721842234 /nfs/dbraw/zinc/84/22/34/721842234.db2.gz DKHTWYWGPNLBNE-UHFFFAOYSA-N 0 1 388.537 3.317 20 0 GGADMN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCN(C2CCCC2)CC1 ZINC001165030698 721854128 /nfs/dbraw/zinc/85/41/28/721854128.db2.gz ZCMQANBYIFYLER-UHFFFAOYSA-N 0 1 385.890 3.340 20 0 GGADMN O=C(c1ccccc1)n1ccc2ccc(N3CCN(C[C@H]4CCCO4)CC3)nc21 ZINC001165039690 721916080 /nfs/dbraw/zinc/91/60/80/721916080.db2.gz VDFHTNKELVTHSA-HXUWFJFHSA-N 0 1 390.487 3.026 20 0 GGADMN O=C(c1ccccc1)n1ccc2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nc21 ZINC001165039688 721916203 /nfs/dbraw/zinc/91/62/03/721916203.db2.gz VDFHTNKELVTHSA-FQEVSTJZSA-N 0 1 390.487 3.026 20 0 GGADMN Fc1ccc(-c2nc(Cl)cc(N3CCN(C[C@@H]4CCCO4)CC3)n2)cc1 ZINC001165043427 721919945 /nfs/dbraw/zinc/91/99/45/721919945.db2.gz JWOAFWPCMZBXMA-INIZCTEOSA-N 0 1 376.863 3.237 20 0 GGADMN CCOc1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nn1 ZINC001164937914 721920882 /nfs/dbraw/zinc/92/08/82/721920882.db2.gz HJWJOCBYAPTZMG-UHFFFAOYSA-N 0 1 382.508 3.055 20 0 GGADMN c1csc(-c2noc(-c3ccnc(N4CCN(C[C@@H]5CCCO5)CC4)c3)n2)c1 ZINC001165042745 721921364 /nfs/dbraw/zinc/92/13/64/721921364.db2.gz GGGIQOSMHOYOPH-INIZCTEOSA-N 0 1 397.504 3.161 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4ccn5C)CC3)C2)cc1 ZINC001164939770 721923067 /nfs/dbraw/zinc/92/30/67/721923067.db2.gz MYDXKVNMTAVLTA-UHFFFAOYSA-N 0 1 391.519 3.148 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4cccc(Cl)[n+]4[O-])CC3)C2)cc1 ZINC001164939846 721924241 /nfs/dbraw/zinc/92/42/41/721924241.db2.gz NZHQDIAKGPPEED-UHFFFAOYSA-N 0 1 387.911 3.153 20 0 GGADMN CCOc1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164938998 721924683 /nfs/dbraw/zinc/92/46/83/721924683.db2.gz GIBMGROXZDZTGF-UHFFFAOYSA-N 0 1 382.508 3.055 20 0 GGADMN Cc1cc2c(ncnc2N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939349 721924783 /nfs/dbraw/zinc/92/47/83/721924783.db2.gz JQFFREJLXZZRAF-UHFFFAOYSA-N 0 1 391.519 3.446 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4cnc5cccnc5n4)CC3)C2)cc1 ZINC001164939313 721925523 /nfs/dbraw/zinc/92/55/23/721925523.db2.gz HZOGTGWBNJNPOX-UHFFFAOYSA-N 0 1 389.503 3.205 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4ncc(N)cc4Cl)CC3)C2)cc1 ZINC001164940428 721926781 /nfs/dbraw/zinc/92/67/81/721926781.db2.gz QFNGRJSBGPDHLH-UHFFFAOYSA-N 0 1 386.927 3.497 20 0 GGADMN COc1cc2c(cc1F)cc(Cl)nc2N1CCN(C[C@H]2CCCO2)CC1 ZINC001165045064 721926941 /nfs/dbraw/zinc/92/69/41/721926941.db2.gz YYYVOFIYEDAZNY-CQSZACIVSA-N 0 1 379.863 3.337 20 0 GGADMN CCOc1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ncn1 ZINC001164940653 721930928 /nfs/dbraw/zinc/93/09/28/721930928.db2.gz VPSQTTUFVSBGFL-UHFFFAOYSA-N 0 1 382.508 3.055 20 0 GGADMN COc1cc2cnc(N3CCN(CCOc4ccccc4)CC3)cc2cc1OC ZINC001165044991 721960019 /nfs/dbraw/zinc/96/00/19/721960019.db2.gz RPCYQMRFBOOYPU-UHFFFAOYSA-N 0 1 393.487 3.453 20 0 GGADMN Clc1c[nH]c2nc(Cl)nc(N3CCN(CCc4ccccn4)CC3)c12 ZINC001165053704 722008507 /nfs/dbraw/zinc/00/85/07/722008507.db2.gz DBJKLJOFQJOQDY-UHFFFAOYSA-N 0 1 377.279 3.024 20 0 GGADMN COCc1cc(N2CCN(CCc3ccccn3)CC2)nc(-c2ccccc2)n1 ZINC001165053855 722008969 /nfs/dbraw/zinc/00/89/69/722008969.db2.gz NDAAOXSWYAFFKK-UHFFFAOYSA-N 0 1 389.503 3.050 20 0 GGADMN O=C(Nc1ccccc1)c1ccnc(N2CCN(CCc3ccccn3)CC2)c1 ZINC001165056278 722012975 /nfs/dbraw/zinc/01/29/75/722012975.db2.gz RQXNCXAUYKBFJW-UHFFFAOYSA-N 0 1 387.487 3.094 20 0 GGADMN c1cn(C2CCCC2)c2ncnc(N3CCN(CCc4ccccn4)CC3)c12 ZINC001165055916 722013610 /nfs/dbraw/zinc/01/36/10/722013610.db2.gz NLVSYYAJXNOGKJ-UHFFFAOYSA-N 0 1 376.508 3.306 20 0 GGADMN c1ccc2c(c1)ncnc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958854 722052259 /nfs/dbraw/zinc/05/22/59/722052259.db2.gz HAJHZCHXWQTMQK-UHFFFAOYSA-N 0 1 389.503 3.144 20 0 GGADMN c1cc2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2s1 ZINC001164961941 722052396 /nfs/dbraw/zinc/05/23/96/722052396.db2.gz ZMCGYWYZZZFEBO-UHFFFAOYSA-N 0 1 395.532 3.205 20 0 GGADMN CC(C)c1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164962408 722057889 /nfs/dbraw/zinc/05/78/89/722057889.db2.gz RREMLYZGNYAVHY-UHFFFAOYSA-N 0 1 381.524 3.114 20 0 GGADMN CCSc1cncc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164962599 722060186 /nfs/dbraw/zinc/06/01/86/722060186.db2.gz URMKFFBSCVAMMW-UHFFFAOYSA-N 0 1 399.564 3.103 20 0 GGADMN Clc1ccc2nc(Cl)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1 ZINC001164966078 722067222 /nfs/dbraw/zinc/06/72/22/722067222.db2.gz VZPODOZOGRTQCZ-OKILXGFUSA-N 0 1 379.291 3.236 20 0 GGADMN Clc1cc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)nc(Cc2ccccc2)n1 ZINC001164967576 722070678 /nfs/dbraw/zinc/07/06/78/722070678.db2.gz QJAVUCMLXMMGQN-HDICACEKSA-N 0 1 384.911 3.020 20 0 GGADMN Clc1cnc2cc(Cl)c(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cc2n1 ZINC001164967129 722071256 /nfs/dbraw/zinc/07/12/56/722071256.db2.gz JKPURXAQZUEIQF-BETUJISGSA-N 0 1 379.291 3.236 20 0 GGADMN Clc1cccc2c1nc(Cl)nc2N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967359 722071330 /nfs/dbraw/zinc/07/13/30/722071330.db2.gz OJTHGUSVEOCNPE-BETUJISGSA-N 0 1 379.291 3.236 20 0 GGADMN Clc1cc2c(Cl)ccnc2c(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164967568 722071594 /nfs/dbraw/zinc/07/15/94/722071594.db2.gz QECALQANUUFFNQ-BETUJISGSA-N 0 1 379.291 3.236 20 0 GGADMN Clc1ccc2c(c1)nc(Cl)nc2N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967111 722071795 /nfs/dbraw/zinc/07/17/95/722071795.db2.gz IMKZQTJHUXRSSU-OKILXGFUSA-N 0 1 379.291 3.236 20 0 GGADMN Clc1cc(C2CCCCC2)nc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164968194 722077172 /nfs/dbraw/zinc/07/71/72/722077172.db2.gz VOMFOWBJWUNRBF-CALCHBBNSA-N 0 1 376.932 3.477 20 0 GGADMN Cc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164973420 722121273 /nfs/dbraw/zinc/12/12/73/722121273.db2.gz HFBBKZMJEYSLCU-KNQAVFIVSA-N 0 1 389.503 3.061 20 0 GGADMN Cc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164985069 722134907 /nfs/dbraw/zinc/13/49/07/722134907.db2.gz ZCDPPJAGJKIRCC-IEBWSBKVSA-N 0 1 395.532 3.122 20 0 GGADMN Cc1csc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164982814 722136185 /nfs/dbraw/zinc/13/61/85/722136185.db2.gz SSSFCBGALYWHQF-QZTJIDSGSA-N 0 1 395.532 3.122 20 0 GGADMN Cc1cc(C(C)C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971254 722154533 /nfs/dbraw/zinc/15/45/33/722154533.db2.gz BLWNBCSKBLVNID-TZIWHRDSSA-N 0 1 381.524 3.031 20 0 GGADMN NC(=O)c1cnc(Cl)cc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993662 722193235 /nfs/dbraw/zinc/19/32/35/722193235.db2.gz GYVZDHVQIQXPCN-HXUWFJFHSA-N 0 1 388.874 3.218 20 0 GGADMN CCOC(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nn1 ZINC001164992722 722194957 /nfs/dbraw/zinc/19/49/57/722194957.db2.gz ASLBYLVREIHBSF-OAQYLSRUSA-N 0 1 384.455 3.037 20 0 GGADMN CCOC(=O)c1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ncn1 ZINC001164992888 722196886 /nfs/dbraw/zinc/19/68/86/722196886.db2.gz BZVBBVYIRNOYFP-OAQYLSRUSA-N 0 1 384.455 3.037 20 0 GGADMN CCOC(=O)c1nccnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993714 722199738 /nfs/dbraw/zinc/19/97/38/722199738.db2.gz ACBFPARIHCZCNG-NRFANRHFSA-N 0 1 384.455 3.037 20 0 GGADMN Cn1c(=O)ccc2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc21 ZINC001164995267 722200310 /nfs/dbraw/zinc/20/03/10/722200310.db2.gz LZDGTLCAXUQBAH-QHCPKHFHSA-N 0 1 392.478 3.318 20 0 GGADMN CCOC(=O)c1ncnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1C ZINC001164995556 722202041 /nfs/dbraw/zinc/20/20/41/722202041.db2.gz ODARHJPGBMTTOU-QFIPXVFZSA-N 0 1 398.482 3.346 20 0 GGADMN CC(C)c1nc(N(C)C)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994465 722202431 /nfs/dbraw/zinc/20/24/31/722202431.db2.gz HKVURTMOUKMZDA-JOCHJYFZSA-N 0 1 398.530 3.445 20 0 GGADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-n4ccnc4)nn2)C3)c1 ZINC001164994033 722204091 /nfs/dbraw/zinc/20/40/91/722204091.db2.gz DJUIMBHGFMMOCE-NRFANRHFSA-N 0 1 378.455 3.046 20 0 GGADMN CON(C)C(=O)c1cccnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996315 722204940 /nfs/dbraw/zinc/20/49/40/722204940.db2.gz TVKMJHJOYOZONB-JOCHJYFZSA-N 0 1 398.482 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946640082 /nfs/dbraw/zinc/64/00/82/946640082.db2.gz ICYFRNSBTHGUJW-HZPDHXFCSA-N 0 1 392.301 3.163 20 0 GGADMN CC(C)OC(=O)C[C@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824305894 946651414 /nfs/dbraw/zinc/65/14/14/946651414.db2.gz WABCPAYLDNWWSG-SFHVURJKSA-N 0 1 383.427 3.178 20 0 GGADMN C[C@@H](CCc1cccc(F)c1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824407227 946690270 /nfs/dbraw/zinc/69/02/70/946690270.db2.gz VTOUSYOQHGTGHX-YWZLYKJASA-N 0 1 381.455 3.400 20 0 GGADMN C[C@H](NCc1cc(=O)c(O)co1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824612605 946861933 /nfs/dbraw/zinc/86/19/33/946861933.db2.gz NSYCYDIPHUXTBL-ZDUSSCGKSA-N 0 1 389.415 3.043 20 0 GGADMN C[C@H](NCc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824625034 946870641 /nfs/dbraw/zinc/87/06/41/946870641.db2.gz DQAMJUNYZNRAJI-JTQLQIEISA-N 0 1 396.348 3.193 20 0 GGADMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624776 946871224 /nfs/dbraw/zinc/87/12/24/946871224.db2.gz CEHQTNXTSIJNMP-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000326533609 971301218 /nfs/dbraw/zinc/30/12/18/971301218.db2.gz OYRXEAOBMVKICN-LBPRGKRZSA-N 0 1 396.285 3.158 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000326533608 971301506 /nfs/dbraw/zinc/30/15/06/971301506.db2.gz OYRXEAOBMVKICN-GFCCVEGCSA-N 0 1 396.285 3.158 20 0 GGADMN CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(C)(C)c1ccccc1 ZINC000825139336 947094960 /nfs/dbraw/zinc/09/49/60/947094960.db2.gz DVACICSEAZUWNZ-INIZCTEOSA-N 0 1 396.495 3.361 20 0 GGADMN CC(=CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)c1ccccc1Cl ZINC001573362299 947701416 /nfs/dbraw/zinc/70/14/16/947701416.db2.gz JDXFNEZAHAEIHN-CSKARUKUSA-N 0 1 379.811 3.438 20 0 GGADMN Cc1ccc(CN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C2CC2)o1 ZINC000826288137 947837702 /nfs/dbraw/zinc/83/77/02/947837702.db2.gz SHJGIBUQMFYJMU-UHFFFAOYSA-N 0 1 389.463 3.333 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1-c1nn[nH]n1 ZINC000826299725 947869600 /nfs/dbraw/zinc/86/96/00/947869600.db2.gz RXDXGLWIHMEPRL-UHFFFAOYSA-N 0 1 399.476 3.205 20 0 GGADMN Cc1nn2c(CN[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)c(C(C)C)nc2s1 ZINC000826335113 947969569 /nfs/dbraw/zinc/96/95/69/947969569.db2.gz YUGFITMLOWWEKO-NSHDSACASA-N 0 1 382.497 3.254 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826349713 948092156 /nfs/dbraw/zinc/09/21/56/948092156.db2.gz RUTUWTGRRWLHHH-MRXNPFEDSA-N 0 1 396.520 3.094 20 0 GGADMN CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(N3CCC(C(=O)[O-])CC3)o1)C2 ZINC001602766674 971492946 /nfs/dbraw/zinc/49/29/46/971492946.db2.gz DTIQKXXEHRMYAY-UHFFFAOYSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(N3CCC(C(=O)[O-])CC3)o1)C2 ZINC001602766674 971492952 /nfs/dbraw/zinc/49/29/52/971492952.db2.gz DTIQKXXEHRMYAY-UHFFFAOYSA-N 0 1 397.475 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](c2ccccc2)C1 ZINC001573756066 948798449 /nfs/dbraw/zinc/79/84/49/948798449.db2.gz LTHJXKHNZDPBBQ-ZFWWWQNUSA-N 0 1 396.882 3.337 20 0 GGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000370975551 971555488 /nfs/dbraw/zinc/55/54/88/971555488.db2.gz FWMMWWHSOOSAQP-APWZRJJASA-N 0 1 376.497 3.324 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000370975551 971555497 /nfs/dbraw/zinc/55/54/97/971555497.db2.gz FWMMWWHSOOSAQP-APWZRJJASA-N 0 1 376.497 3.324 20 0 GGADMN CC(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[nH]n4)c(O)c3)sc2C1 ZINC001574098831 949166665 /nfs/dbraw/zinc/16/66/65/949166665.db2.gz GGJLCTUJEOAMSB-SNVBAGLBSA-N 0 1 384.465 3.042 20 0 GGADMN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001574099895 949186699 /nfs/dbraw/zinc/18/66/99/949186699.db2.gz PUOQNKHEVWCGNT-DNVCBOLYSA-N 0 1 377.448 3.262 20 0 GGADMN CC(C)(C(=O)Nc1nc2ccc(Cl)cc2[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC001573788638 949204210 /nfs/dbraw/zinc/20/42/10/949204210.db2.gz QGDJZCVOODTFIH-UHFFFAOYSA-N 0 1 381.827 3.313 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001589605610 949257057 /nfs/dbraw/zinc/25/70/57/949257057.db2.gz SLZHQPGIYTXPOB-WBMJQRKESA-N 0 1 382.423 3.409 20 0 GGADMN C[C@@H](c1nc2ccccc2o1)N(C)CCOCc1ccc(-c2nn[nH]n2)cc1 ZINC001575521566 949265263 /nfs/dbraw/zinc/26/52/63/949265263.db2.gz GQSBHAFJLSUZSE-AWEZNQCLSA-N 0 1 378.436 3.218 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC001589606526 949289776 /nfs/dbraw/zinc/28/97/76/949289776.db2.gz UAWWGMIHHPNJMN-KRWDZBQOSA-N 0 1 384.270 3.313 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc(Br)cn3)C2)cc1 ZINC001595227488 949318982 /nfs/dbraw/zinc/31/89/82/949318982.db2.gz OHVPEDMXZNQSRL-AWEZNQCLSA-N 0 1 376.254 3.317 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001595227664 949328274 /nfs/dbraw/zinc/32/82/74/949328274.db2.gz NAJXCKUIVOWCBK-SFHVURJKSA-N 0 1 388.414 3.158 20 0 GGADMN C[C@H](C(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001602805062 971584970 /nfs/dbraw/zinc/58/49/70/971584970.db2.gz NGUIZIHJGMNPNL-GWCFXTLKSA-N 0 1 380.794 3.102 20 0 GGADMN C[C@H](C(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001602805062 971584971 /nfs/dbraw/zinc/58/49/71/971584971.db2.gz NGUIZIHJGMNPNL-GWCFXTLKSA-N 0 1 380.794 3.102 20 0 GGADMN O=C([O-])c1ccccc1OCCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001595258077 949638543 /nfs/dbraw/zinc/63/85/43/949638543.db2.gz VTCKPJXXPLLFFV-UHFFFAOYSA-N 0 1 377.444 3.134 20 0 GGADMN O=C([O-])c1ccccc1OCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001595257827 949639133 /nfs/dbraw/zinc/63/91/33/949639133.db2.gz ROHFSMOQKNUJTC-HSZRJFAPSA-N 0 1 380.488 3.362 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001589647696 949748436 /nfs/dbraw/zinc/74/84/36/949748436.db2.gz LSHUVXZAWQLBEG-NSHDSACASA-N 0 1 386.290 3.389 20 0 GGADMN CCCCOc1ncccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589654694 949808613 /nfs/dbraw/zinc/80/86/13/949808613.db2.gz NDSMDOMWQAUTGI-KRWDZBQOSA-N 0 1 387.480 3.444 20 0 GGADMN CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001589659111 949833928 /nfs/dbraw/zinc/83/39/28/949833928.db2.gz COXYJTDGJHLYJU-UHFFFAOYSA-N 0 1 386.290 3.389 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589659317 949843089 /nfs/dbraw/zinc/84/30/89/949843089.db2.gz KOICJKMFSVJJFD-LBPRGKRZSA-N 0 1 398.301 3.343 20 0 GGADMN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[nH]n4)c(O)c3)sc2C1 ZINC001573827169 949913669 /nfs/dbraw/zinc/91/36/69/949913669.db2.gz KNEGLSASWBKMRM-NSHDSACASA-N 0 1 398.492 3.432 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC001602819792 971621914 /nfs/dbraw/zinc/62/19/14/971621914.db2.gz IGMJNUNAHVTSCR-HNNXBMFYSA-N 0 1 380.444 3.184 20 0 GGADMN O=C([O-])CCCCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000238151144 949995413 /nfs/dbraw/zinc/99/54/13/949995413.db2.gz YCIMHNBLEUBJFL-GOSISDBHSA-N 0 1 386.414 3.202 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(I)cc1Cl)C1CC1 ZINC001602821425 971627097 /nfs/dbraw/zinc/62/70/97/971627097.db2.gz DPSUNEXDDHPPJY-QMMMGPOBSA-N 0 1 379.625 3.382 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)C1CC1 ZINC001602821661 971629026 /nfs/dbraw/zinc/62/90/26/971629026.db2.gz MADMVPBMXQUKQJ-LSDHHAIUSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)C1CC1 ZINC001602821661 971629028 /nfs/dbraw/zinc/62/90/28/971629028.db2.gz MADMVPBMXQUKQJ-LSDHHAIUSA-N 0 1 392.496 3.275 20 0 GGADMN CC(C)(C)C[C@H]1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C1(C)C ZINC001573843454 950176638 /nfs/dbraw/zinc/17/66/38/950176638.db2.gz YRAXJDUTKJZFOD-LLVKDONJSA-N 0 1 383.543 3.154 20 0 GGADMN CCN(C(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1nc2ccccc2s1 ZINC001589699852 950223494 /nfs/dbraw/zinc/22/34/94/950223494.db2.gz PYCURSQLNQHREF-AWEZNQCLSA-N 0 1 375.494 3.369 20 0 GGADMN CCN(C(=O)C[N@@H+]1CCC[C@H](CCC(=O)[O-])C1)c1nc2ccccc2s1 ZINC001589700314 950229400 /nfs/dbraw/zinc/22/94/00/950229400.db2.gz ZBPJLHHBTOJCTJ-CQSZACIVSA-N 0 1 375.494 3.226 20 0 GGADMN CCN(C(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1nc2ccccc2s1 ZINC001589700314 950229415 /nfs/dbraw/zinc/22/94/15/950229415.db2.gz ZBPJLHHBTOJCTJ-CQSZACIVSA-N 0 1 375.494 3.226 20 0 GGADMN CC(C)(C)CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC001573846668 950252035 /nfs/dbraw/zinc/25/20/35/950252035.db2.gz UEHRLVORICJAEO-UHFFFAOYSA-N 0 1 378.480 3.354 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)ccc2c1 ZINC000263163098 950306020 /nfs/dbraw/zinc/30/60/20/950306020.db2.gz GHTZTHVCYVNENJ-GUXCAODWSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000263303956 950358271 /nfs/dbraw/zinc/35/82/71/950358271.db2.gz GYPWEIHSYOVWBE-YPMHNXCESA-N 0 1 384.270 3.153 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316432 950363248 /nfs/dbraw/zinc/36/32/48/950363248.db2.gz IUSROTICTNKWPJ-PWSUYJOCSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316432 950363263 /nfs/dbraw/zinc/36/32/63/950363263.db2.gz IUSROTICTNKWPJ-PWSUYJOCSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316429 950364322 /nfs/dbraw/zinc/36/43/22/950364322.db2.gz IUSROTICTNKWPJ-JQWIXIFHSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316429 950364341 /nfs/dbraw/zinc/36/43/41/950364341.db2.gz IUSROTICTNKWPJ-JQWIXIFHSA-N 0 1 395.431 3.069 20 0 GGADMN CC(C)C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000263323138 950369284 /nfs/dbraw/zinc/36/92/84/950369284.db2.gz JNVIJZRKOSJRRV-PMACEKPBSA-N 0 1 389.540 3.335 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000263352628 950394116 /nfs/dbraw/zinc/39/41/16/950394116.db2.gz QFFZEHYBDVOYJF-IBGZPJMESA-N 0 1 389.540 3.479 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000263365089 950405164 /nfs/dbraw/zinc/40/51/64/950405164.db2.gz SWNHFJCGLJNCQP-WIYYLYMNSA-N 0 1 386.536 3.209 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263367651 950408818 /nfs/dbraw/zinc/40/88/18/950408818.db2.gz UIEYRSQXISAHNH-ALKREAHSSA-N 0 1 398.425 3.010 20 0 GGADMN CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@@H](C)C(=O)[O-] ZINC001589720564 950417204 /nfs/dbraw/zinc/41/72/04/950417204.db2.gz RZRDKEHVDUNTSB-GOEBONIOSA-N 0 1 380.485 3.099 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC001573862223 950462923 /nfs/dbraw/zinc/46/29/23/950462923.db2.gz PUEYJPQCXCTXHN-CQSZACIVSA-N 0 1 377.876 3.074 20 0 GGADMN CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263504164 950497167 /nfs/dbraw/zinc/49/71/67/950497167.db2.gz WMNTZOYNOFXHNM-HXUWFJFHSA-N 0 1 381.476 3.191 20 0 GGADMN CC1CCN(c2ccc(F)cc2NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 ZINC001576214313 950667727 /nfs/dbraw/zinc/66/77/27/950667727.db2.gz PBJGOMIHNKKLDD-UHFFFAOYSA-N 0 1 396.426 3.200 20 0 GGADMN CC(C)N1CCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[nH]n1)[C@@H](C)[C@H](C)CC2 ZINC001576215870 950714523 /nfs/dbraw/zinc/71/45/23/950714523.db2.gz GQEFEVNBVBQNDD-FRRDWIJNSA-N 0 1 388.541 3.425 20 0 GGADMN CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001590128779 950788959 /nfs/dbraw/zinc/78/89/59/950788959.db2.gz AVVVYBHUUZNMPS-HBMCJLEFSA-N 0 1 381.472 3.351 20 0 GGADMN O=C([O-])/C=C\c1cc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001594970557 950843044 /nfs/dbraw/zinc/84/30/44/950843044.db2.gz VJUSLQAKLGTTEN-MUIYBLPUSA-N 0 1 394.471 3.408 20 0 GGADMN O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001594970559 950843247 /nfs/dbraw/zinc/84/32/47/950843247.db2.gz VJUSLQAKLGTTEN-UGXMWKJISA-N 0 1 394.471 3.408 20 0 GGADMN O=C([O-])c1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cc1F ZINC000380536646 971705043 /nfs/dbraw/zinc/70/50/43/971705043.db2.gz VDGUFVPULJWERG-CYBMUJFWSA-N 0 1 375.375 3.059 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC001594992847 951047646 /nfs/dbraw/zinc/04/76/46/951047646.db2.gz BZOQNACGFMMYIA-GCJKJVERSA-N 0 1 392.499 3.347 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C(=O)[O-])c1C ZINC001591425989 951136987 /nfs/dbraw/zinc/13/69/87/951136987.db2.gz MUKMPHICJYGRHP-PHIMTYICSA-N 0 1 382.482 3.133 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C(=O)[O-])c1C ZINC001591425989 951136996 /nfs/dbraw/zinc/13/69/96/951136996.db2.gz MUKMPHICJYGRHP-PHIMTYICSA-N 0 1 382.482 3.133 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](CC)C(CC)CC)c(C(=O)[O-])c1C ZINC001591426731 951140891 /nfs/dbraw/zinc/14/08/91/951140891.db2.gz VRUICWBRQULCDI-UHFFFAOYSA-N 0 1 384.498 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1C ZINC001591427098 951142530 /nfs/dbraw/zinc/14/25/30/951142530.db2.gz ZWHQFKCFOYUJNO-AAEUAGOBSA-N 0 1 396.509 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCCC3(CC3)CC2)c(C(=O)[O-])c1C ZINC001591466518 951145824 /nfs/dbraw/zinc/14/58/24/951145824.db2.gz GSVOXNRTQGLLCI-UHFFFAOYSA-N 0 1 394.493 3.136 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCCC3(CC3)CC2)c(C(=O)[O-])c1C ZINC001591466518 951145828 /nfs/dbraw/zinc/14/58/28/951145828.db2.gz GSVOXNRTQGLLCI-UHFFFAOYSA-N 0 1 394.493 3.136 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCCC[C@H]2CC)c(C(=O)[O-])c1C ZINC001591466787 951149345 /nfs/dbraw/zinc/14/93/45/951149345.db2.gz NOEDXBHWPABVQF-GFCCVEGCSA-N 0 1 382.482 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@H]2CC)c(C(=O)[O-])c1C ZINC001591466787 951149353 /nfs/dbraw/zinc/14/93/53/951149353.db2.gz NOEDXBHWPABVQF-GFCCVEGCSA-N 0 1 382.482 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](CC)CC[C@@H]2C)c(C(=O)[O-])c1C ZINC001591467318 951153628 /nfs/dbraw/zinc/15/36/28/951153628.db2.gz XWKUOFJLGMURND-WCQYABFASA-N 0 1 396.509 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](CC)CC[C@@H]2C)c(C(=O)[O-])c1C ZINC001591467318 951153635 /nfs/dbraw/zinc/15/36/35/951153635.db2.gz XWKUOFJLGMURND-WCQYABFASA-N 0 1 396.509 3.380 20 0 GGADMN CC(C)C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379607528 951169134 /nfs/dbraw/zinc/16/91/34/951169134.db2.gz FGEVNQCQTBIGTB-RBUKOAKNSA-N 0 1 375.513 3.087 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379604727 951169351 /nfs/dbraw/zinc/16/93/51/951169351.db2.gz AACAYEBEJSHOOY-DYESRHJHSA-N 0 1 375.513 3.183 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379604730 951169403 /nfs/dbraw/zinc/16/94/03/951169403.db2.gz AACAYEBEJSHOOY-UTKZUKDTSA-N 0 1 375.513 3.183 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379635355 951171721 /nfs/dbraw/zinc/17/17/21/951171721.db2.gz PDMFZTRBRFPSLT-QXAKKESOSA-N 0 1 375.513 3.086 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000382615133 951226815 /nfs/dbraw/zinc/22/68/15/951226815.db2.gz OSDYFVIQYWTVJG-SFHVURJKSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001595008974 951239188 /nfs/dbraw/zinc/23/91/88/951239188.db2.gz ZFZZXVDLEDMBRC-QZTJIDSGSA-N 0 1 394.462 3.390 20 0 GGADMN CCOCN(C(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C)c1c(C)cccc1CC ZINC001591977386 951251572 /nfs/dbraw/zinc/25/15/72/951251572.db2.gz PNFJOXFPYOJRBF-AEFFLSMTSA-N 0 1 376.497 3.070 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC001595013150 951277156 /nfs/dbraw/zinc/27/71/56/951277156.db2.gz YXELXZXJNBACQK-QZTJIDSGSA-N 0 1 394.462 3.247 20 0 GGADMN CCOc1c(Cl)cccc1C[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001592009669 951293147 /nfs/dbraw/zinc/29/31/47/951293147.db2.gz UZBZCKOONSMWCK-GJZGRUSLSA-N 0 1 377.872 3.163 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC001595019612 951316036 /nfs/dbraw/zinc/31/60/36/951316036.db2.gz VVMWTMAMTBNYGY-OAHLLOKOSA-N 0 1 388.464 3.243 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000390217252 951372587 /nfs/dbraw/zinc/37/25/87/951372587.db2.gz YRRUOYRJGTTZRW-SFHVURJKSA-N 0 1 375.513 3.231 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(I)c(Cl)c1)C1CCC1 ZINC001595072772 951612083 /nfs/dbraw/zinc/61/20/83/951612083.db2.gz MEMUADDMJREPGD-UHFFFAOYSA-N 0 1 379.625 3.384 20 0 GGADMN O=C([O-])C[NH+]1CCC(NCc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001595079370 951667602 /nfs/dbraw/zinc/66/76/02/951667602.db2.gz MYUASHIWFAHAPD-UHFFFAOYSA-N 0 1 390.430 3.182 20 0 GGADMN C[C@@H](C[NH2+]Cc1csc(-c2nnn[n-]2)c1)Oc1cccc(Br)c1 ZINC001575118842 951986115 /nfs/dbraw/zinc/98/61/15/951986115.db2.gz UHKWYCWVWLALBT-JTQLQIEISA-N 0 1 394.298 3.248 20 0 GGADMN C[C@@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)Oc1cccc(Br)c1 ZINC001575118842 951986120 /nfs/dbraw/zinc/98/61/20/951986120.db2.gz UHKWYCWVWLALBT-JTQLQIEISA-N 0 1 394.298 3.248 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001602889823 971797467 /nfs/dbraw/zinc/79/74/67/971797467.db2.gz SLZZUBTZAJMBFB-SJORKVTESA-N 0 1 390.480 3.237 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001595135982 952052426 /nfs/dbraw/zinc/05/24/26/952052426.db2.gz KEQDUKPINMPCDL-QUCCMNQESA-N 0 1 379.460 3.052 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](C/C=C/c1ccc(OCc3ccccc3)cc1)C2 ZINC001595191020 952282780 /nfs/dbraw/zinc/28/27/80/952282780.db2.gz ZXRWPIPYZFAMTM-TWPDJSGCSA-N 0 1 379.456 3.312 20 0 GGADMN C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001575191883 952469722 /nfs/dbraw/zinc/46/97/22/952469722.db2.gz ZIKBIQSQNPJYIN-JTQLQIEISA-N 0 1 397.389 3.498 20 0 GGADMN C[C@H](Cc1cccs1)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001575203492 952524463 /nfs/dbraw/zinc/52/44/63/952524463.db2.gz YNAAHBVXANRTRC-LLVKDONJSA-N 0 1 390.900 3.083 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCCCC(=O)[O-])C1 ZINC000414604014 953396871 /nfs/dbraw/zinc/39/68/71/953396871.db2.gz XHWMFMCRVYIIFA-QGZVFWFLSA-N 0 1 375.513 3.363 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000414647986 953407662 /nfs/dbraw/zinc/40/76/62/953407662.db2.gz UEHRTCVBBOWKQJ-LEWJYISDSA-N 0 1 395.503 3.161 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000424258318 953438758 /nfs/dbraw/zinc/43/87/58/953438758.db2.gz LPOHASTZVOEICX-KRWDZBQOSA-N 0 1 396.491 3.408 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424261517 953440825 /nfs/dbraw/zinc/44/08/25/953440825.db2.gz PHUMFXPBSOLKDN-KRWDZBQOSA-N 0 1 384.480 3.147 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(OC)cc1Cl ZINC000424264680 953443402 /nfs/dbraw/zinc/44/34/02/953443402.db2.gz UMZYTMVNMBHDLR-CYBMUJFWSA-N 0 1 398.887 3.405 20 0 GGADMN COc1cc(NC(=O)C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(OC)cc1Cl ZINC000424263623 953443566 /nfs/dbraw/zinc/44/35/66/953443566.db2.gz RUQGGZSBYXQCFY-LBPRGKRZSA-N 0 1 384.860 3.015 20 0 GGADMN C[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H]1C(=O)[O-] ZINC000424266339 953445951 /nfs/dbraw/zinc/44/59/51/953445951.db2.gz KVKZOUYWYPFQPM-JTSKRJEESA-N 0 1 380.488 3.467 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424396255 953462109 /nfs/dbraw/zinc/46/21/09/953462109.db2.gz PWJOOTCFLMCQFI-INIZCTEOSA-N 0 1 375.513 3.219 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000424404307 953468918 /nfs/dbraw/zinc/46/89/18/953468918.db2.gz CBMCHFJZCJCDTC-RLLQIKCJSA-N 0 1 389.540 3.428 20 0 GGADMN CCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424407352 953471742 /nfs/dbraw/zinc/47/17/42/953471742.db2.gz SOEVVQNENFYYKA-AEFFLSMTSA-N 0 1 375.513 3.354 20 0 GGADMN CC(C)(CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000424406578 953472809 /nfs/dbraw/zinc/47/28/09/953472809.db2.gz REEIJKFGBFYBLK-MOPGFXCFSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000424407946 953474310 /nfs/dbraw/zinc/47/43/10/953474310.db2.gz HOCJZDQZXMFNBS-PKOBYXMFSA-N 0 1 381.561 3.419 20 0 GGADMN CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424423146 953479908 /nfs/dbraw/zinc/47/99/08/953479908.db2.gz HFABUZRTGDKAOF-SFHVURJKSA-N 0 1 375.513 3.183 20 0 GGADMN CC[C@H]1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424429813 953484414 /nfs/dbraw/zinc/48/44/14/953484414.db2.gz KWXAMEWNVIAQAI-SFHVURJKSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000424443465 953485639 /nfs/dbraw/zinc/48/56/39/953485639.db2.gz AZQXMIBJGXXLJI-WMZOPIPTSA-N 0 1 375.513 3.087 20 0 GGADMN CCC(CC)(CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424449579 953488673 /nfs/dbraw/zinc/48/86/73/953488673.db2.gz LTAALASVQYBTNT-HKUYNNGSSA-N 0 1 389.540 3.477 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424458182 953491024 /nfs/dbraw/zinc/49/10/24/953491024.db2.gz ZZXKZEBDQYDMNW-XJKSGUPXSA-N 0 1 399.894 3.272 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280258 953495960 /nfs/dbraw/zinc/49/59/60/953495960.db2.gz YEPGTRVVOZWBHT-CHWSQXEVSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280258 953495966 /nfs/dbraw/zinc/49/59/66/953495966.db2.gz YEPGTRVVOZWBHT-CHWSQXEVSA-N 0 1 398.488 3.273 20 0 GGADMN C[N@@H+](CCCC(=O)[O-])CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000430650414 953500597 /nfs/dbraw/zinc/50/05/97/953500597.db2.gz CSHMVYKFIOIFQS-IBGZPJMESA-N 0 1 393.487 3.213 20 0 GGADMN CCC(CC)(CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)[O-] ZINC000448550358 953506781 /nfs/dbraw/zinc/50/67/81/953506781.db2.gz VGHQLQVXPIEMBL-MOPGFXCFSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518769346 953548152 /nfs/dbraw/zinc/54/81/52/953548152.db2.gz OQQQRKGQGMDAOA-GJYPPUQNSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518769346 953548158 /nfs/dbraw/zinc/54/81/58/953548158.db2.gz OQQQRKGQGMDAOA-GJYPPUQNSA-N 0 1 394.471 3.287 20 0 GGADMN CCC(CC)(CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C)C(=O)[O-] ZINC000529226636 953557073 /nfs/dbraw/zinc/55/70/73/953557073.db2.gz UONUHNNMNHNOSL-LJQANCHMSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)C[N@H+]1Cc1ccccc1 ZINC001589285791 953568152 /nfs/dbraw/zinc/56/81/52/953568152.db2.gz GJASDJCPEGBOMH-WBVHZDCISA-N 0 1 382.464 3.202 20 0 GGADMN O=C([O-])C[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000533189493 953568395 /nfs/dbraw/zinc/56/83/95/953568395.db2.gz ADUGYNQHZYXYCQ-QFBILLFUSA-N 0 1 398.425 3.154 20 0 GGADMN O=C([O-])C[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000533189494 953569724 /nfs/dbraw/zinc/56/97/24/953569724.db2.gz ADUGYNQHZYXYCQ-VQIMIIECSA-N 0 1 398.425 3.154 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Nc2ccnc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC001589286119 953574026 /nfs/dbraw/zinc/57/40/26/953574026.db2.gz NZXJTFBBMQSCAC-DOTOQJQBSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)Nc2ccnc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC001589286122 953574463 /nfs/dbraw/zinc/57/44/63/953574463.db2.gz NZXJTFBBMQSCAC-WBVHZDCISA-N 0 1 382.464 3.202 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000563127065 953594890 /nfs/dbraw/zinc/59/48/90/953594890.db2.gz VSOJQHLACXFBQZ-RHSMWYFYSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000563127065 953594899 /nfs/dbraw/zinc/59/48/99/953594899.db2.gz 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3.164 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971029 953652208 /nfs/dbraw/zinc/65/22/08/953652208.db2.gz BSSXARQKIZDEOQ-UKRRQHHQSA-N 0 1 398.425 3.382 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1c1ccccc1 ZINC000571208156 953659956 /nfs/dbraw/zinc/65/99/56/953659956.db2.gz IRXMUNRBNHXDJX-LSDHHAIUSA-N 0 1 385.370 3.315 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000572250160 953667622 /nfs/dbraw/zinc/66/76/22/953667622.db2.gz IMTISMGRSPJEBJ-KSSFIOAISA-N 0 1 395.377 3.129 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039849 953687931 /nfs/dbraw/zinc/68/79/31/953687931.db2.gz QISZRIRQYFKLKK-IEBWSBKVSA-N 0 1 396.487 3.067 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578867084 953704257 /nfs/dbraw/zinc/70/42/57/953704257.db2.gz HAEHFXVOSYGJOQ-YLJYHZDGSA-N 0 1 380.488 3.467 20 0 GGADMN 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C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000626746574 953800685 /nfs/dbraw/zinc/80/06/85/953800685.db2.gz UYCWCWWBYDISCV-MBOZVWFJSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[C@H]1C(=O)[O-] ZINC000626759863 953813541 /nfs/dbraw/zinc/81/35/41/953813541.db2.gz UQWNDOYUHACWLV-LELZANKISA-N 0 1 399.535 3.039 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000629494988 953825083 /nfs/dbraw/zinc/82/50/83/953825083.db2.gz GFXUGNYRCUKMCL-ZTFGCOKTSA-N 0 1 378.488 3.462 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000629494982 953825544 /nfs/dbraw/zinc/82/55/44/953825544.db2.gz GFXUGNYRCUKMCL-FHLIZLRMSA-N 0 1 378.488 3.462 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC[C@@H]1C(=O)[O-] ZINC000629497253 953828625 /nfs/dbraw/zinc/82/86/25/953828625.db2.gz BEFLDUFUSZZHTJ-JQWIXIFHSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC[C@@H]1C(=O)[O-] ZINC000629497253 953828647 /nfs/dbraw/zinc/82/86/47/953828647.db2.gz BEFLDUFUSZZHTJ-JQWIXIFHSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000629498058 953830585 /nfs/dbraw/zinc/83/05/85/953830585.db2.gz HJLDUNGTZUVXSY-OXJNMPFZSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000629502930 953833778 /nfs/dbraw/zinc/83/37/78/953833778.db2.gz SZTWLCCIHIMTFV-DYVFJYSZSA-N 0 1 398.425 3.239 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001594811816 953835197 /nfs/dbraw/zinc/83/51/97/953835197.db2.gz MKWGIBOEZKNHEY-FGTMMUONSA-N 0 1 394.475 3.202 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])nn2C)C1 ZINC000635302678 953878044 /nfs/dbraw/zinc/87/80/44/953878044.db2.gz NNOWBWZVTRRWRS-ZDUSSCGKSA-N 0 1 377.872 3.235 20 0 GGADMN 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Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3C[C@@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000647367291 953955196 /nfs/dbraw/zinc/95/51/96/953955196.db2.gz KDPXVPGWIRAARC-GJZGRUSLSA-N 0 1 387.505 3.318 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000647373496 953958427 /nfs/dbraw/zinc/95/84/27/953958427.db2.gz IXGMSSMRKQNQGV-CQSZACIVSA-N 0 1 379.526 3.384 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000650502743 954017886 /nfs/dbraw/zinc/01/78/86/954017886.db2.gz QTVKFEVIOOVREI-QFIXIFRTSA-N 0 1 384.451 3.311 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000650502743 954017893 /nfs/dbraw/zinc/01/78/93/954017893.db2.gz QTVKFEVIOOVREI-QFIXIFRTSA-N 0 1 384.451 3.311 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652086826 954043104 /nfs/dbraw/zinc/04/31/04/954043104.db2.gz MKUDNEHBCFYFKX-HYFFOGBASA-N 0 1 389.540 3.085 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087108 954043726 /nfs/dbraw/zinc/04/37/26/954043726.db2.gz VPYPNDMDSJFYRD-DHJUGAMNSA-N 0 1 395.503 3.164 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087111 954044075 /nfs/dbraw/zinc/04/40/75/954044075.db2.gz VPYPNDMDSJFYRD-MONBJTKQSA-N 0 1 395.503 3.164 20 0 GGADMN C[C@](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000652095500 954059712 /nfs/dbraw/zinc/05/97/12/954059712.db2.gz JIVBFHIQGZYXKB-DENIHFKCSA-N 0 1 387.524 3.125 20 0 GGADMN C[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652097507 954063093 /nfs/dbraw/zinc/06/30/93/954063093.db2.gz IJPSRKDKBZLXRF-CZZMKVDGSA-N 0 1 387.524 3.323 20 0 GGADMN CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000652099523 954065071 /nfs/dbraw/zinc/06/50/71/954065071.db2.gz FCXLUQXWCUPPKT-UHFFFAOYSA-N 0 1 375.513 3.252 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470960 954088633 /nfs/dbraw/zinc/08/86/33/954088633.db2.gz OOPJCPUJLMNYNF-GDBMZVCRSA-N 0 1 395.377 3.129 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC001589353694 954108637 /nfs/dbraw/zinc/10/86/37/954108637.db2.gz WTDVDUVNGREMQW-WTNAPCKOSA-N 0 1 392.499 3.203 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1F ZINC001589353729 954110207 /nfs/dbraw/zinc/11/02/07/954110207.db2.gz USEDZUOPLUGPLG-HOCLYGCPSA-N 0 1 379.476 3.042 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccc(F)cc1 ZINC001594843920 954112061 /nfs/dbraw/zinc/11/20/61/954112061.db2.gz PIVNQHJHCMGCBZ-HNNXBMFYSA-N 0 1 378.201 3.380 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC=CCC1 ZINC000653308701 954123357 /nfs/dbraw/zinc/12/33/57/954123357.db2.gz QEYVDFPGWACVJV-APWZRJJASA-N 0 1 396.409 3.207 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)[nH+]c1 ZINC000653327962 954155650 /nfs/dbraw/zinc/15/56/50/954155650.db2.gz BTCVHTXOSZWESP-OALUTQOASA-N 0 1 379.460 3.036 20 0 GGADMN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548702 954198043 /nfs/dbraw/zinc/19/80/43/954198043.db2.gz JDWHAOQULLLHGY-QFBILLFUSA-N 0 1 375.513 3.094 20 0 GGADMN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548702 954198055 /nfs/dbraw/zinc/19/80/55/954198055.db2.gz JDWHAOQULLLHGY-QFBILLFUSA-N 0 1 375.513 3.094 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000655567829 954205714 /nfs/dbraw/zinc/20/57/14/954205714.db2.gz WGSDQEKEKUEJKZ-WMZOPIPTSA-N 0 1 376.497 3.026 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000655861127 954245124 /nfs/dbraw/zinc/24/51/24/954245124.db2.gz NIWAXULTLNGPKM-VQIMIIECSA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000655861123 954245292 /nfs/dbraw/zinc/24/52/92/954245292.db2.gz NIWAXULTLNGPKM-LPHOPBHVSA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000655862170 954246592 /nfs/dbraw/zinc/24/65/92/954246592.db2.gz YVSIQYDMUHDQIB-LPHOPBHVSA-N 0 1 375.513 3.217 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000655862174 954246895 /nfs/dbraw/zinc/24/68/95/954246895.db2.gz YVSIQYDMUHDQIB-VQIMIIECSA-N 0 1 375.513 3.217 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655865911 954251494 /nfs/dbraw/zinc/25/14/94/954251494.db2.gz LNKJWLOTTUDFMP-JCGIZDLHSA-N 0 1 375.513 3.073 20 0 GGADMN C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655868793 954255700 /nfs/dbraw/zinc/25/57/00/954255700.db2.gz HCFNMSCXKDUWKK-OGWHTMIXSA-N 0 1 389.540 3.332 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000655895103 954277673 /nfs/dbraw/zinc/27/76/73/954277673.db2.gz QGVBMTLMTRZXLY-OALUTQOASA-N 0 1 375.513 3.039 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655902306 954283341 /nfs/dbraw/zinc/28/33/41/954283341.db2.gz JZUKLLXLEPPSDS-BHYGNILZSA-N 0 1 389.496 3.078 20 0 GGADMN C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907132 954290488 /nfs/dbraw/zinc/29/04/88/954290488.db2.gz HJGXNIXCVJHFEU-YTQUADARSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(=O)[O-] ZINC000659396636 954322427 /nfs/dbraw/zinc/32/24/27/954322427.db2.gz DYBTUGMLJJLDGP-YSIASYRMSA-N 0 1 389.540 3.333 20 0 GGADMN C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659403211 954328490 /nfs/dbraw/zinc/32/84/90/954328490.db2.gz HMXFMGQFOJAADI-PXNSSMCTSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659403253 954328723 /nfs/dbraw/zinc/32/87/23/954328723.db2.gz ICTQXKFDUQFTJH-IHPCNDPISA-N 0 1 389.540 3.333 20 0 GGADMN O=C([O-])C1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000659405932 954331307 /nfs/dbraw/zinc/33/13/07/954331307.db2.gz IATLOHIQHNESPI-IOJLRTSASA-N 0 1 399.535 3.231 20 0 GGADMN CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000659414946 954337676 /nfs/dbraw/zinc/33/76/76/954337676.db2.gz IDKZERWQGYGRSZ-IBGZPJMESA-N 0 1 399.535 3.185 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)CC(=O)[O-] ZINC000659419084 954344258 /nfs/dbraw/zinc/34/42/58/954344258.db2.gz WOCAXUAIFMKNSP-IBGZPJMESA-N 0 1 381.561 3.421 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000659763627 954363320 /nfs/dbraw/zinc/36/33/20/954363320.db2.gz KANVBYUSWNHCPQ-FGTMMUONSA-N 0 1 396.487 3.274 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC[C@@H]1C(=O)[O-] ZINC001589395467 954364681 /nfs/dbraw/zinc/36/46/81/954364681.db2.gz IYIASGZQDCYOIZ-AGHHOFFYSA-N 0 1 392.499 3.203 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC001589395469 954364875 /nfs/dbraw/zinc/36/48/75/954364875.db2.gz IYIASGZQDCYOIZ-NQSCKRDGSA-N 0 1 392.499 3.203 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1F ZINC001589396007 954370716 /nfs/dbraw/zinc/37/07/16/954370716.db2.gz QLQSZSCZWUCDFO-ZBFHGGJFSA-N 0 1 379.476 3.042 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662204912 954379506 /nfs/dbraw/zinc/37/95/06/954379506.db2.gz WSCBNULKGTUBLA-QGZVFWFLSA-N 0 1 390.480 3.450 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221518 954389096 /nfs/dbraw/zinc/38/90/96/954389096.db2.gz AQGZDXMKPSHVAD-CRAIPNDOSA-N 0 1 388.826 3.268 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221518 954389110 /nfs/dbraw/zinc/38/91/10/954389110.db2.gz AQGZDXMKPSHVAD-CRAIPNDOSA-N 0 1 388.826 3.268 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222802 954392475 /nfs/dbraw/zinc/39/24/75/954392475.db2.gz PNNOUUUGWGYXNW-BLLLJJGKSA-N 0 1 388.851 3.360 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222802 954392489 /nfs/dbraw/zinc/39/24/89/954392489.db2.gz PNNOUUUGWGYXNW-BLLLJJGKSA-N 0 1 388.851 3.360 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc21 ZINC000662223252 954393788 /nfs/dbraw/zinc/39/37/88/954393788.db2.gz SQSQCASFUIEJFF-INIZCTEOSA-N 0 1 394.349 3.208 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc21 ZINC000662223252 954393802 /nfs/dbraw/zinc/39/38/02/954393802.db2.gz SQSQCASFUIEJFF-INIZCTEOSA-N 0 1 394.349 3.208 20 0 GGADMN CCN(C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@H](C)c1ccc(F)cc1 ZINC000662225203 954395275 /nfs/dbraw/zinc/39/52/75/954395275.db2.gz YOMIRONPKDHUDT-FOIQADDNSA-N 0 1 384.451 3.419 20 0 GGADMN 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C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402085 954438650 /nfs/dbraw/zinc/43/86/50/954438650.db2.gz WYKJTEHIMJLHRQ-IIBYNOLFSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402085 954438653 /nfs/dbraw/zinc/43/86/53/954438653.db2.gz WYKJTEHIMJLHRQ-IIBYNOLFSA-N 0 1 386.517 3.312 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC001593754734 954443082 /nfs/dbraw/zinc/44/30/82/954443082.db2.gz YWBWTGVGRMJJFJ-MRXNPFEDSA-N 0 1 394.265 3.192 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC001593754733 954443306 /nfs/dbraw/zinc/44/33/06/954443306.db2.gz YWBWTGVGRMJJFJ-INIZCTEOSA-N 0 1 394.265 3.192 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001593760294 954479830 /nfs/dbraw/zinc/47/98/30/954479830.db2.gz IPIZGNSZYOVVOL-YJBOKZPZSA-N 0 1 392.883 3.399 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H](CO)c1ccc(Cl)cc1 ZINC001593760292 954479915 /nfs/dbraw/zinc/47/99/15/954479915.db2.gz IPIZGNSZYOVVOL-MAUKXSAKSA-N 0 1 392.883 3.399 20 0 GGADMN O=C([O-])[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000663102011 954487828 /nfs/dbraw/zinc/48/78/28/954487828.db2.gz WGALWLHZIGODEO-OFNKIYASSA-N 0 1 384.520 3.392 20 0 GGADMN CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000663112707 954503638 /nfs/dbraw/zinc/50/36/38/954503638.db2.gz OLDBEUITTHJNHO-LJQANCHMSA-N 0 1 398.425 3.241 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC=CC1 ZINC000663114551 954507288 /nfs/dbraw/zinc/50/72/88/954507288.db2.gz LYOSEYWKOTVMQW-GOSISDBHSA-N 0 1 396.512 3.385 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC=CC1 ZINC000663114551 954507301 /nfs/dbraw/zinc/50/73/01/954507301.db2.gz LYOSEYWKOTVMQW-GOSISDBHSA-N 0 1 396.512 3.385 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC=CC1 ZINC000663114552 954507661 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LLJIXEWEUUQELC-CTNGQTDRSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC=CCC1 ZINC000663136093 954525055 /nfs/dbraw/zinc/52/50/55/954525055.db2.gz ARGYLNHDBXEKLE-XXBNENTESA-N 0 1 382.504 3.216 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666520488 954548477 /nfs/dbraw/zinc/54/84/77/954548477.db2.gz BQKKIFSPGCIALS-DLBZAZTESA-N 0 1 387.524 3.394 20 0 GGADMN O=C([O-])c1cccc(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000666523937 954549425 /nfs/dbraw/zinc/54/94/25/954549425.db2.gz QHTXNKDLOHAJKD-HXUWFJFHSA-N 0 1 381.476 3.239 20 0 GGADMN CCCN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000666558734 954558847 /nfs/dbraw/zinc/55/88/47/954558847.db2.gz VRDLRBWZDOOHKX-LJQANCHMSA-N 0 1 375.513 3.328 20 0 GGADMN CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000666563149 954559719 /nfs/dbraw/zinc/55/97/19/954559719.db2.gz UQPRITHAVUCZRK-FQEVSTJZSA-N 0 1 381.476 3.191 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562530 954560251 /nfs/dbraw/zinc/56/02/51/954560251.db2.gz LLRJDWLQXXPYOI-KRWDZBQOSA-N 0 1 381.476 3.191 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000676234074 954586262 /nfs/dbraw/zinc/58/62/62/954586262.db2.gz VLABMEYQAZBWMO-YLJYHZDGSA-N 0 1 388.508 3.326 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)c2)C1 ZINC001593781573 954675177 /nfs/dbraw/zinc/67/51/77/954675177.db2.gz UAWKYJMDUTXMFK-BHIFYINESA-N 0 1 392.499 3.436 20 0 GGADMN C[N@H+]1C[C@@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC001593786633 954704668 /nfs/dbraw/zinc/70/46/68/954704668.db2.gz KAWYXMOOASORAO-QUCCMNQESA-N 0 1 381.476 3.171 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC001594912339 954715215 /nfs/dbraw/zinc/71/52/15/954715215.db2.gz TWSRSWQCOBDVSM-RDYUPDBUSA-N 0 1 378.538 3.207 20 0 GGADMN C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC001593787483 954724878 /nfs/dbraw/zinc/72/48/78/954724878.db2.gz LRTNFERLWSTSCW-BURNTYAHSA-N 0 1 378.472 3.006 20 0 GGADMN O=C([O-])C1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001594914339 954726728 /nfs/dbraw/zinc/72/67/28/954726728.db2.gz BZFASFOIAKLCQB-NRFANRHFSA-N 0 1 398.478 3.350 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)o2)C1 ZINC001594914371 954728107 /nfs/dbraw/zinc/72/81/07/954728107.db2.gz GEKDCQDCDMMJEM-JFIYKMOQSA-N 0 1 388.464 3.262 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H](C4CCOCC4)C3)o2)C1 ZINC001594914471 954729657 /nfs/dbraw/zinc/72/96/57/954729657.db2.gz GRXLGYPHYHITAO-ZWKOTPCHSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)o2)C1 ZINC001594917155 954767947 /nfs/dbraw/zinc/76/79/47/954767947.db2.gz NAGLWEZHTRFLJH-MRXNPFEDSA-N 0 1 387.455 3.042 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccccc3OC(F)F)o2)C1 ZINC001594917384 954770751 /nfs/dbraw/zinc/77/07/51/954770751.db2.gz UCCWZIUFQCMWGA-AWEZNQCLSA-N 0 1 380.391 3.472 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594918517 954782303 /nfs/dbraw/zinc/78/23/03/954782303.db2.gz UECQHNDVVGDRPK-HUUCEWRRSA-N 0 1 375.494 3.102 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)CC1 ZINC001594939529 954870337 /nfs/dbraw/zinc/87/03/37/954870337.db2.gz XJZNJOUVYINSMD-IRXDYDNUSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](Cc2cn3ccc(Br)cc3n2)Cc2ccccc21 ZINC001594951469 954954966 /nfs/dbraw/zinc/95/49/66/954954966.db2.gz JCHLQFCVLUHGJL-INIZCTEOSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2cn3ccc(Br)cc3n2)Cc2ccccc21 ZINC001594951469 954954981 /nfs/dbraw/zinc/95/49/81/954954981.db2.gz JCHLQFCVLUHGJL-INIZCTEOSA-N 0 1 386.249 3.281 20 0 GGADMN COC(=O)/C=C\c1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001593831261 955152189 /nfs/dbraw/zinc/15/21/89/955152189.db2.gz ZXGFCAFHKBYYLA-VDXCVWLFSA-N 0 1 395.455 3.052 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000836693085 955558324 /nfs/dbraw/zinc/55/83/24/955558324.db2.gz OGKRSURDSUDAKF-KRWDZBQOSA-N 0 1 392.459 3.428 20 0 GGADMN COC(=O)c1c(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866972 955587965 /nfs/dbraw/zinc/58/79/65/955587965.db2.gz UPUNPNUHNMIPIG-SFHVURJKSA-N 0 1 396.418 3.288 20 0 GGADMN COC(=O)c1c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866972 955587970 /nfs/dbraw/zinc/58/79/70/955587970.db2.gz UPUNPNUHNMIPIG-SFHVURJKSA-N 0 1 396.418 3.288 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC001594538012 955595750 /nfs/dbraw/zinc/59/57/50/955595750.db2.gz NNRCQUVEDBQSTI-ZWKOTPCHSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cn1 ZINC001594539431 955618077 /nfs/dbraw/zinc/61/80/77/955618077.db2.gz VJGSVSXBVJXGIL-MSOLQXFVSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cn1 ZINC001594539435 955618809 /nfs/dbraw/zinc/61/88/09/955618809.db2.gz VJGSVSXBVJXGIL-QZTJIDSGSA-N 0 1 399.491 3.066 20 0 GGADMN C[C@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@H]1C(=O)[O-] ZINC000843040586 955619999 /nfs/dbraw/zinc/61/99/99/955619999.db2.gz KJIUJEUIBLMMQY-DZGCQCFKSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@H]1C(=O)[O-] ZINC000843040586 955620012 /nfs/dbraw/zinc/62/00/12/955620012.db2.gz KJIUJEUIBLMMQY-DZGCQCFKSA-N 0 1 376.888 3.134 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)cn1 ZINC001594539989 955627264 /nfs/dbraw/zinc/62/72/64/955627264.db2.gz YIAIAOYWOQZKMD-QZTJIDSGSA-N 0 1 399.491 3.066 20 0 GGADMN C[C@](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589053918 955681117 /nfs/dbraw/zinc/68/11/17/955681117.db2.gz MIHXMOPAROXXMF-SIKLNZKXSA-N 0 1 387.524 3.125 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1Br ZINC001593877491 955690888 /nfs/dbraw/zinc/69/08/88/955690888.db2.gz RJQSJYHDYCZQBX-ZDUSSCGKSA-N 0 1 384.270 3.455 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c2ncccc12 ZINC001593877600 955692003 /nfs/dbraw/zinc/69/20/03/955692003.db2.gz VHRFHFSTAFGFCS-LJQANCHMSA-N 0 1 376.412 3.205 20 0 GGADMN COC(=O)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c(Br)c1 ZINC001593879998 955699833 /nfs/dbraw/zinc/69/98/33/955699833.db2.gz SJQZRDAPDMYTSB-OAHLLOKOSA-N 0 1 396.212 3.290 20 0 GGADMN COC(=O)c1ccc(OCC[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001593885020 955737309 /nfs/dbraw/zinc/73/73/09/955737309.db2.gz CHSAPFAVSYBJBK-GOSISDBHSA-N 0 1 389.835 3.189 20 0 GGADMN COC(=O)c1cccc2c(C[N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)ccnc12 ZINC001593896594 955824325 /nfs/dbraw/zinc/82/43/25/955824325.db2.gz BXDYMHNDJXQJOD-IBGZPJMESA-N 0 1 376.412 3.205 20 0 GGADMN COC(=O)c1cccc2c(C[N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)ccnc12 ZINC001593896594 955824331 /nfs/dbraw/zinc/82/43/31/955824331.db2.gz BXDYMHNDJXQJOD-IBGZPJMESA-N 0 1 376.412 3.205 20 0 GGADMN Cc1cc(=O)oc2cc(OCC[N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)ccc12 ZINC000852736543 955846967 /nfs/dbraw/zinc/84/69/67/955846967.db2.gz ZSYFQGNNSHDXJI-LJQANCHMSA-N 0 1 379.412 3.164 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)nc2N(C)C)cc1 ZINC000859814933 955914481 /nfs/dbraw/zinc/91/44/81/955914481.db2.gz KLSNKSBUHYMPDB-ZBFHGGJFSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)nc2N(C)C)cc1 ZINC000859814933 955914489 /nfs/dbraw/zinc/91/44/89/955914489.db2.gz KLSNKSBUHYMPDB-ZBFHGGJFSA-N 0 1 390.915 3.443 20 0 GGADMN CCSc1ccc(C[N@@H+](CCOC)CCC(=O)[O-])c(Br)c1 ZINC000863466520 955919685 /nfs/dbraw/zinc/91/96/85/955919685.db2.gz USRCXCVKZJBZBC-UHFFFAOYSA-N 0 1 376.316 3.484 20 0 GGADMN 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20 0 GGADMN Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)n1 ZINC000873643850 956077766 /nfs/dbraw/zinc/07/77/66/956077766.db2.gz LNIUYKMKAKEUGI-HRCADAONSA-N 0 1 395.463 3.030 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](CCCOc3cccc(Cl)c3)C2)cn1 ZINC000873644767 956083764 /nfs/dbraw/zinc/08/37/64/956083764.db2.gz GMMUFGOFXRYBLJ-CABCVRRESA-N 0 1 377.872 3.033 20 0 GGADMN Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000873645097 956084852 /nfs/dbraw/zinc/08/48/52/956084852.db2.gz TWXPGGBVRMETGX-KBPBESRZSA-N 0 1 386.477 3.135 20 0 GGADMN Cc1ccc(-c2cnc(C[N@@H+]3C[C@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)o2)cc1 ZINC000873645946 956091847 /nfs/dbraw/zinc/09/18/47/956091847.db2.gz TZGPLGHKTHCOPJ-IAGOWNOFSA-N 0 1 380.448 3.074 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(SC(F)F)cc3)C2)cn1 ZINC000873646158 956094377 /nfs/dbraw/zinc/09/43/77/956094377.db2.gz XRLRORKFEMGZCM-KBPBESRZSA-N 0 1 381.448 3.425 20 0 GGADMN 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CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001573546872 959211323 /nfs/dbraw/zinc/21/13/23/959211323.db2.gz FHQBEDFPNFKWAW-UHFFFAOYSA-N 0 1 392.459 3.140 20 0 GGADMN C[C@@]1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001594230839 959467391 /nfs/dbraw/zinc/46/73/91/959467391.db2.gz CKHQIGGHJDEXSN-IUBSTNSRSA-N 0 1 392.499 3.272 20 0 GGADMN C[C@]12CN(C(=O)Nc3cccc(C(=O)[O-])c3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001594231727 959478256 /nfs/dbraw/zinc/47/82/56/959478256.db2.gz WGCAGAIUMGEMKK-GCJKJVERSA-N 0 1 379.460 3.371 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594471494 959563636 /nfs/dbraw/zinc/56/36/36/959563636.db2.gz BQOBRZPIOHFLBY-UHFFFAOYSA-N 0 1 395.257 3.254 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)C[C@H](C)O1 ZINC001594246129 959571653 /nfs/dbraw/zinc/57/16/53/959571653.db2.gz XBARBFFEDZCDEL-FCEWJHQRSA-N 0 1 390.524 3.001 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC001594476465 959600477 /nfs/dbraw/zinc/60/04/77/959600477.db2.gz BMLBYVNNEUNJDZ-LBPRGKRZSA-N 0 1 378.270 3.381 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594476909 959607168 /nfs/dbraw/zinc/60/71/68/959607168.db2.gz QHRUVWCQHYJZJY-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594476909 959607185 /nfs/dbraw/zinc/60/71/85/959607185.db2.gz QHRUVWCQHYJZJY-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594477130 959610437 /nfs/dbraw/zinc/61/04/37/959610437.db2.gz AIOTWYBHFTVPJI-SWLSCSKDSA-N 0 1 392.297 3.486 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1I ZINC001588655909 960411049 /nfs/dbraw/zinc/41/10/49/960411049.db2.gz SVQXFXJAZAMRBA-UHFFFAOYSA-N 0 1 379.213 3.363 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001588655935 960413539 /nfs/dbraw/zinc/41/35/39/960413539.db2.gz WLKLBZIYUVRSOE-MRXNPFEDSA-N 0 1 398.544 3.225 20 0 GGADMN O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC001123264288 960431685 /nfs/dbraw/zinc/43/16/85/960431685.db2.gz NBGBRWACPFCHOS-FQEVSTJZSA-N 0 1 384.451 3.237 20 0 GGADMN O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC001123264288 960431701 /nfs/dbraw/zinc/43/17/01/960431701.db2.gz NBGBRWACPFCHOS-FQEVSTJZSA-N 0 1 384.451 3.237 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001123277161 960433393 /nfs/dbraw/zinc/43/33/93/960433393.db2.gz FBRHTJUCJWAEFT-PZJWPPBQSA-N 0 1 382.504 3.320 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001123277158 960434067 /nfs/dbraw/zinc/43/40/67/960434067.db2.gz FBRHTJUCJWAEFT-FPOVZHCZSA-N 0 1 382.504 3.320 20 0 GGADMN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+](CC(=O)[O-])CC3CC3)o2)CC1 ZINC001588667409 960461406 /nfs/dbraw/zinc/46/14/06/960461406.db2.gz NBJMDKFDHSFPSQ-UHFFFAOYSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)o2)C1 ZINC001588667584 960464518 /nfs/dbraw/zinc/46/45/18/960464518.db2.gz QDAGSPRFUZMPDC-YCRPNKLZSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@]3(C)C(=O)[O-])o2)C1 ZINC001588668099 960476331 /nfs/dbraw/zinc/47/63/31/960476331.db2.gz WVLRDGJQLOIXFY-BTYIYWSLSA-N 0 1 392.496 3.277 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001138920727 960488298 /nfs/dbraw/zinc/48/82/98/960488298.db2.gz DYBMXFGWHCSFIW-WBVHZDCISA-N 0 1 392.496 3.133 20 0 GGADMN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C2 ZINC001138924553 960492917 /nfs/dbraw/zinc/49/29/17/960492917.db2.gz QONLYXWDYIPNFM-IIBYNOLFSA-N 0 1 390.480 3.029 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001573747533 960506681 /nfs/dbraw/zinc/50/66/81/960506681.db2.gz FDWRQKXKWAXQTK-GASCZTMLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001573747533 960506684 /nfs/dbraw/zinc/50/66/84/960506684.db2.gz FDWRQKXKWAXQTK-GASCZTMLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573748179 960518084 /nfs/dbraw/zinc/51/80/84/960518084.db2.gz JORXSTJBKOFGCO-TYNCELHUSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573748179 960518096 /nfs/dbraw/zinc/51/80/96/960518096.db2.gz JORXSTJBKOFGCO-TYNCELHUSA-N 0 1 391.468 3.319 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC001588674995 960534140 /nfs/dbraw/zinc/53/41/40/960534140.db2.gz LICZNBXLEAJUAS-HNAYVOBHSA-N 0 1 386.558 3.306 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001588675182 960536219 /nfs/dbraw/zinc/53/62/19/960536219.db2.gz OLMQEPKFAYDHSF-KRWDZBQOSA-N 0 1 394.487 3.402 20 0 GGADMN O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(F)cc1F ZINC001195224689 960569213 /nfs/dbraw/zinc/56/92/13/960569213.db2.gz CBEFMWADFTZHQA-UHFFFAOYSA-N 0 1 396.415 3.060 20 0 GGADMN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001574282036 960649339 /nfs/dbraw/zinc/64/93/39/960649339.db2.gz MPJYZMJAISRWGS-ZVGUJKQYSA-N 0 1 384.501 3.075 20 0 GGADMN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001574282036 960649345 /nfs/dbraw/zinc/64/93/45/960649345.db2.gz MPJYZMJAISRWGS-ZVGUJKQYSA-N 0 1 384.501 3.075 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001588687588 960679441 /nfs/dbraw/zinc/67/94/41/960679441.db2.gz ZNSJXZZBMUVDRN-YTQUADARSA-N 0 1 388.508 3.434 20 0 GGADMN Cc1c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cnn1-c1cc[nH+]cc1 ZINC001574298011 960707496 /nfs/dbraw/zinc/70/74/96/960707496.db2.gz VMJNUHPYDSDNGM-UHFFFAOYSA-N 0 1 382.445 3.467 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CCOc3ccccc3C(=O)[O-])C2)C1 ZINC001588691824 960724862 /nfs/dbraw/zinc/72/48/62/960724862.db2.gz SYGXBNQGLBCVQI-NRFANRHFSA-N 0 1 390.480 3.097 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)C[C@H](C)C(=O)[O-])C1=O ZINC001574307805 960751263 /nfs/dbraw/zinc/75/12/63/960751263.db2.gz LKRSRKZNGOOYPJ-DZGCQCFKSA-N 0 1 397.313 3.214 20 0 GGADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccsc1 ZINC000236902937 960793982 /nfs/dbraw/zinc/79/39/82/960793982.db2.gz DOJFRYPIEPYXJV-QGZVFWFLSA-N 0 1 396.534 3.116 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[C@@H](c2cnn(C)c2)C1 ZINC001262178322 960822665 /nfs/dbraw/zinc/82/26/65/960822665.db2.gz XMRYXGZLVZUUGR-CWFSZBLJSA-N 0 1 398.507 3.061 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC001588707074 960858887 /nfs/dbraw/zinc/85/88/87/960858887.db2.gz XCDFNDLTKZNZFQ-ZDUSSCGKSA-N 0 1 396.488 3.049 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC001588707074 960858906 /nfs/dbraw/zinc/85/89/06/960858906.db2.gz XCDFNDLTKZNZFQ-ZDUSSCGKSA-N 0 1 396.488 3.049 20 0 GGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000237075842 960865242 /nfs/dbraw/zinc/86/52/42/960865242.db2.gz QEHKGDVTMMHTFF-CYBMUJFWSA-N 0 1 387.505 3.193 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000237075842 960865260 /nfs/dbraw/zinc/86/52/60/960865260.db2.gz QEHKGDVTMMHTFF-CYBMUJFWSA-N 0 1 387.505 3.193 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)CC[C@@H]1C(F)(F)F ZINC001588707391 960867309 /nfs/dbraw/zinc/86/73/09/960867309.db2.gz CYALAWREDGTONB-QWHCGFSZSA-N 0 1 394.434 3.409 20 0 GGADMN CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](CCC1(C(=O)[O-])CCC1)CCO2 ZINC001588707559 960873266 /nfs/dbraw/zinc/87/32/66/960873266.db2.gz FGNAUGXCNFEJFU-UHFFFAOYSA-N 0 1 396.528 3.170 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCc3cc(F)ccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629715 960874884 /nfs/dbraw/zinc/87/48/84/960874884.db2.gz MAANNVGHTSOGRI-NZQKXSOJSA-N 0 1 396.462 3.091 20 0 GGADMN O=C([O-])[C@]1(NC(=O)[C@H]2CCc3cc(F)ccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629717 960875761 /nfs/dbraw/zinc/87/57/61/960875761.db2.gz MAANNVGHTSOGRI-REWPJTCUSA-N 0 1 396.462 3.091 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000237554809 960961224 /nfs/dbraw/zinc/96/12/24/960961224.db2.gz BQHLPSPTGZUCGC-INIZCTEOSA-N 0 1 398.528 3.430 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@H]1C1CC1 ZINC001588726949 961069288 /nfs/dbraw/zinc/06/92/88/961069288.db2.gz VZBQHMBNUDQDTE-DLBZAZTESA-N 0 1 375.465 3.063 20 0 GGADMN CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588732202 961094280 /nfs/dbraw/zinc/09/42/80/961094280.db2.gz NMYPMYVVODPZIT-DLBZAZTESA-N 0 1 375.465 3.063 20 0 GGADMN CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)n1 ZINC001588734205 961115425 /nfs/dbraw/zinc/11/54/25/961115425.db2.gz AYFNCVVLYMOMKT-OAHLLOKOSA-N 0 1 387.480 3.443 20 0 GGADMN CCC[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H](CC)C(=O)OCC ZINC001573856999 961153097 /nfs/dbraw/zinc/15/30/97/961153097.db2.gz HRSZCCQIDYFRDJ-NVXWUHKLSA-N 0 1 380.485 3.134 20 0 GGADMN CCC[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H](CC)C(=O)OCC ZINC001573856999 961153102 /nfs/dbraw/zinc/15/31/02/961153102.db2.gz HRSZCCQIDYFRDJ-NVXWUHKLSA-N 0 1 380.485 3.134 20 0 GGADMN Cc1cccc([C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C(=O)[O-])c1 ZINC001574391455 961182641 /nfs/dbraw/zinc/18/26/41/961182641.db2.gz LDIKLEHOJBCXHX-HXUWFJFHSA-N 0 1 377.444 3.020 20 0 GGADMN Cc1cccc([C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C(=O)[O-])c1 ZINC001574391455 961182646 /nfs/dbraw/zinc/18/26/46/961182646.db2.gz LDIKLEHOJBCXHX-HXUWFJFHSA-N 0 1 377.444 3.020 20 0 GGADMN CCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001573874202 961229150 /nfs/dbraw/zinc/22/91/50/961229150.db2.gz KXHQGSOKPKMQBS-MAUKXSAKSA-N 0 1 382.464 3.469 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1)CC(C)C ZINC001573880819 961274626 /nfs/dbraw/zinc/27/46/26/961274626.db2.gz GYSCURZIUDSBOE-UHFFFAOYSA-N 0 1 384.586 3.191 20 0 GGADMN Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(-c2cnn(C)c2)c1 ZINC001331961890 961434758 /nfs/dbraw/zinc/43/47/58/961434758.db2.gz ACXKRZQJAHVABM-ZBFHGGJFSA-N 0 1 381.398 3.481 20 0 GGADMN Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001331962525 961434930 /nfs/dbraw/zinc/43/49/30/961434930.db2.gz FIWPUVRMWUEFPU-OCCSQVGLSA-N 0 1 385.361 3.405 20 0 GGADMN C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001332035203 961456527 /nfs/dbraw/zinc/45/65/27/961456527.db2.gz YLFFTVASGZDWLY-DOTOQJQBSA-N 0 1 383.366 3.203 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001332035204 961456857 /nfs/dbraw/zinc/45/68/57/961456857.db2.gz YLFFTVASGZDWLY-NVXWUHKLSA-N 0 1 383.366 3.203 20 0 GGADMN C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001332204887 961530132 /nfs/dbraw/zinc/53/01/32/961530132.db2.gz UWDQKQQDAYEKRP-XHSDSOJGSA-N 0 1 385.464 3.193 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@H]1CCCO1 ZINC001333124517 961646561 /nfs/dbraw/zinc/64/65/61/961646561.db2.gz ITRIRGRPAMMXFS-MRXNPFEDSA-N 0 1 397.397 3.347 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349227 961694025 /nfs/dbraw/zinc/69/40/25/961694025.db2.gz FDIOILUASFVQLQ-PXNSSMCTSA-N 0 1 379.460 3.041 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349227 961694038 /nfs/dbraw/zinc/69/40/38/961694038.db2.gz FDIOILUASFVQLQ-PXNSSMCTSA-N 0 1 379.460 3.041 20 0 GGADMN O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349235 961694230 /nfs/dbraw/zinc/69/42/30/961694230.db2.gz FDIOILUASFVQLQ-YLJYHZDGSA-N 0 1 379.460 3.041 20 0 GGADMN O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349235 961694240 /nfs/dbraw/zinc/69/42/40/961694240.db2.gz FDIOILUASFVQLQ-YLJYHZDGSA-N 0 1 379.460 3.041 20 0 GGADMN O=C([O-])c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc2[nH]ccc21 ZINC001333365120 961700572 /nfs/dbraw/zinc/70/05/72/961700572.db2.gz KAEBTAHBBYGGCM-LJQANCHMSA-N 0 1 378.432 3.254 20 0 GGADMN O=C([O-])c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc2[nH]ccc21 ZINC001333365120 961700586 /nfs/dbraw/zinc/70/05/86/961700586.db2.gz KAEBTAHBBYGGCM-LJQANCHMSA-N 0 1 378.432 3.254 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001334015806 961743706 /nfs/dbraw/zinc/74/37/06/961743706.db2.gz KDNZTQRFBLHLHE-UHFFFAOYSA-N 0 1 392.459 3.428 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001334204952 961784315 /nfs/dbraw/zinc/78/43/15/961784315.db2.gz HZHLACRRODRUQD-ZCNNSNEGSA-N 0 1 379.460 3.263 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001334204952 961784328 /nfs/dbraw/zinc/78/43/28/961784328.db2.gz HZHLACRRODRUQD-ZCNNSNEGSA-N 0 1 379.460 3.263 20 0 GGADMN Cc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC001334948348 961858929 /nfs/dbraw/zinc/85/89/29/961858929.db2.gz PADMKYWQHLLLTM-IBGZPJMESA-N 0 1 381.476 3.247 20 0 GGADMN CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980451 961867179 /nfs/dbraw/zinc/86/71/79/961867179.db2.gz UIJGULCNZNQSFM-FPOVZHCZSA-N 0 1 382.504 3.464 20 0 GGADMN CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001334980735 961868608 /nfs/dbraw/zinc/86/86/08/961868608.db2.gz YOQKYAHFOHFKQI-SFTDATJTSA-N 0 1 382.504 3.464 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001334980731 961869762 /nfs/dbraw/zinc/86/97/62/961869762.db2.gz YOQKYAHFOHFKQI-NHCUHLMSSA-N 0 1 382.504 3.464 20 0 GGADMN C[N@H+](CCC(=O)[O-])CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001574004509 961883959 /nfs/dbraw/zinc/88/39/59/961883959.db2.gz CPTCSQAZLBYABM-MRXNPFEDSA-N 0 1 389.839 3.017 20 0 GGADMN C[N@@H+](CCC(=O)[O-])CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001574004509 961883970 /nfs/dbraw/zinc/88/39/70/961883970.db2.gz CPTCSQAZLBYABM-MRXNPFEDSA-N 0 1 389.839 3.017 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Br)cc1C(=O)[O-] ZINC001335274665 961909073 /nfs/dbraw/zinc/90/90/73/961909073.db2.gz QCOKVZVJZDRWTE-NHYWBVRUSA-N 0 1 384.270 3.157 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001574013901 961934394 /nfs/dbraw/zinc/93/43/94/961934394.db2.gz JFEVUUOIZBBTOU-UHFFFAOYSA-N 0 1 378.469 3.143 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)[C@H]([C@H]2CCCO2)C1 ZINC001336105210 961950639 /nfs/dbraw/zinc/95/06/39/961950639.db2.gz WBQAZLFWLVCJOF-HYVNUMGLSA-N 0 1 387.398 3.472 20 0 GGADMN COc1c(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cccc1C(=O)[O-] ZINC001337962224 961989799 /nfs/dbraw/zinc/98/97/99/961989799.db2.gz ISCZCADGKYUZTK-UHFFFAOYSA-N 0 1 389.477 3.009 20 0 GGADMN CCCn1nc(C)c(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c1C ZINC001339152945 962012914 /nfs/dbraw/zinc/01/29/14/962012914.db2.gz VUWCTRSPWNKDSZ-MSOLQXFVSA-N 0 1 377.435 3.488 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC001339722333 962067496 /nfs/dbraw/zinc/06/74/96/962067496.db2.gz BRPNPOFESYRLPU-ICSRJNTNSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001339845640 962077468 /nfs/dbraw/zinc/07/74/68/962077468.db2.gz PSOJCCHKCVQHTJ-QKLQHJQFSA-N 0 1 387.524 3.138 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001588871314 962089667 /nfs/dbraw/zinc/08/96/67/962089667.db2.gz ZRAMOVRAESPOKR-ICSRJNTNSA-N 0 1 385.439 3.410 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001340461089 962094883 /nfs/dbraw/zinc/09/48/83/962094883.db2.gz GWHOGSYJFFJZPE-LKUPVBHCSA-N 0 1 393.487 3.216 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588874274 962103403 /nfs/dbraw/zinc/10/34/03/962103403.db2.gz PGJKPIWIOYXNRJ-ZDUSSCGKSA-N 0 1 398.301 3.341 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001341341595 962129878 /nfs/dbraw/zinc/12/98/78/962129878.db2.gz AZSZFAGVWVTHSK-KRWDZBQOSA-N 0 1 375.513 3.313 20 0 GGADMN CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588880754 962143448 /nfs/dbraw/zinc/14/34/48/962143448.db2.gz IANUVBLSCRTDNS-MSOLQXFVSA-N 0 1 377.529 3.181 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000263031809 962147939 /nfs/dbraw/zinc/14/79/39/962147939.db2.gz BJINNSNWHPXJPS-CJNGLKHVSA-N 0 1 384.398 3.388 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001344446680 962172529 /nfs/dbraw/zinc/17/25/29/962172529.db2.gz HGSXJQSAMPMDHR-FQEVSTJZSA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001344446680 962172544 /nfs/dbraw/zinc/17/25/44/962172544.db2.gz HGSXJQSAMPMDHR-FQEVSTJZSA-N 0 1 382.435 3.468 20 0 GGADMN CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001344541921 962193673 /nfs/dbraw/zinc/19/36/73/962193673.db2.gz LKAZGQSMFVVNLY-GDBMZVCRSA-N 0 1 397.313 3.155 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001574608842 962194963 /nfs/dbraw/zinc/19/49/63/962194963.db2.gz VKQCHXUBLADIGJ-PWIZWCRZSA-N 0 1 394.475 3.202 20 0 GGADMN Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001345095416 962225302 /nfs/dbraw/zinc/22/53/02/962225302.db2.gz HTYPIZZVVHVFJO-YZUZCNPQSA-N 0 1 392.499 3.334 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2nc3ccccc3s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001345097488 962227055 /nfs/dbraw/zinc/22/70/55/962227055.db2.gz YSHSBOLYZHVPDS-OAQYLSRUSA-N 0 1 395.484 3.146 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263088128 962236505 /nfs/dbraw/zinc/23/65/05/962236505.db2.gz IPLIOKVBJIMRQG-PXNSSMCTSA-N 0 1 388.508 3.326 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263090552 962238490 /nfs/dbraw/zinc/23/84/90/962238490.db2.gz ITXQCSTUGDZHER-MRXNPFEDSA-N 0 1 381.538 3.335 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263090552 962238523 /nfs/dbraw/zinc/23/85/23/962238523.db2.gz ITXQCSTUGDZHER-MRXNPFEDSA-N 0 1 381.538 3.335 20 0 GGADMN O=C([O-])CC1(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC001345145752 962245261 /nfs/dbraw/zinc/24/52/61/962245261.db2.gz TZGNGIPSPGLSTE-KRWDZBQOSA-N 0 1 376.472 3.189 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109879 962262056 /nfs/dbraw/zinc/26/20/56/962262056.db2.gz KYXDSAXUGWNAJJ-PBHICJAKSA-N 0 1 396.434 3.360 20 0 GGADMN C/C(=C\C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001345729335 962274698 /nfs/dbraw/zinc/27/46/98/962274698.db2.gz JUYVCBGISNIJGV-ZGSOLVRCSA-N 0 1 378.472 3.326 20 0 GGADMN Cn1c(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001345729940 962275205 /nfs/dbraw/zinc/27/52/05/962275205.db2.gz QSHIXXWIVQVJIY-HSZRJFAPSA-N 0 1 391.471 3.028 20 0 GGADMN CC(C)(CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC001345744629 962275730 /nfs/dbraw/zinc/27/57/30/962275730.db2.gz AFFSJGXHUONNMA-GOSISDBHSA-N 0 1 386.414 3.201 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263145238 962300019 /nfs/dbraw/zinc/30/00/19/962300019.db2.gz ORVWZSRZNNTPRD-KBPBESRZSA-N 0 1 384.879 3.403 20 0 GGADMN Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263157207 962309425 /nfs/dbraw/zinc/30/94/25/962309425.db2.gz QCCJPPGRESYVBV-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)n(-c2ccc(C)cc2)n1 ZINC000263157207 962309440 /nfs/dbraw/zinc/30/94/40/962309440.db2.gz QCCJPPGRESYVBV-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN CC(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001346299763 962338046 /nfs/dbraw/zinc/33/80/46/962338046.db2.gz CISFWMOMXCVHCB-QHCPKHFHSA-N 0 1 394.471 3.047 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Cc2cccc(C3CC3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001346289436 962338233 /nfs/dbraw/zinc/33/82/33/962338233.db2.gz WIIBHILREVARLM-XMMPIXPASA-N 0 1 392.499 3.342 20 0 GGADMN CC(C)[N@@H+](CCOc1ccccc1C(=O)[O-])CCN(C)C(=O)OC(C)(C)C ZINC001588918964 962364428 /nfs/dbraw/zinc/36/44/28/962364428.db2.gz OPLTWMYVANQVIN-UHFFFAOYSA-N 0 1 380.485 3.341 20 0 GGADMN Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001346382639 962368091 /nfs/dbraw/zinc/36/80/91/962368091.db2.gz BLLDPVCFULSYNP-AZUAARDMSA-N 0 1 395.503 3.299 20 0 GGADMN CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC001347533661 962390728 /nfs/dbraw/zinc/39/07/28/962390728.db2.gz BRTKIGIGYXJVQN-UXHICEINSA-N 0 1 382.504 3.321 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001588922690 962405607 /nfs/dbraw/zinc/40/56/07/962405607.db2.gz XYMIXMSRGYLEEY-QGZVFWFLSA-N 0 1 387.524 3.394 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](CC(=O)[O-])C2)C1 ZINC001588923073 962406984 /nfs/dbraw/zinc/40/69/84/962406984.db2.gz BKZMEFFXCSXQND-QGZVFWFLSA-N 0 1 397.519 3.121 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2C(=O)[O-])C1 ZINC001588923034 962407192 /nfs/dbraw/zinc/40/71/92/962407192.db2.gz AIPTWCXEBUJOHA-UHFFFAOYSA-N 0 1 392.459 3.140 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)C1 ZINC001588923212 962411411 /nfs/dbraw/zinc/41/14/11/962411411.db2.gz LKOIDCYPZLLTHH-IAGOWNOFSA-N 0 1 397.519 3.120 20 0 GGADMN CO[C@H](C[N@H+]1CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001574119583 962484589 /nfs/dbraw/zinc/48/45/89/962484589.db2.gz FLCMRCIBRJJWIC-FUHWJXTLSA-N 0 1 398.544 3.225 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001349931064 962493022 /nfs/dbraw/zinc/49/30/22/962493022.db2.gz DFLRPPZOJWVUKO-VQIMIIECSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001349931064 962493042 /nfs/dbraw/zinc/49/30/42/962493042.db2.gz DFLRPPZOJWVUKO-VQIMIIECSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCC1 ZINC001349966109 962512895 /nfs/dbraw/zinc/51/28/95/962512895.db2.gz UUFGMLFHQAHUCY-SFHVURJKSA-N 0 1 376.472 3.332 20 0 GGADMN O=C([O-])CC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCC1 ZINC001349966109 962512900 /nfs/dbraw/zinc/51/29/00/962512900.db2.gz UUFGMLFHQAHUCY-SFHVURJKSA-N 0 1 376.472 3.332 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263371855 962529594 /nfs/dbraw/zinc/52/95/94/962529594.db2.gz NEEJTOXDSMPHTC-VQIMIIECSA-N 0 1 381.904 3.229 20 0 GGADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]2C(=O)[O-])n1 ZINC000263378955 962536578 /nfs/dbraw/zinc/53/65/78/962536578.db2.gz CBFGJKVVYLZGJR-HNNXBMFYSA-N 0 1 382.489 3.473 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001574132881 962548838 /nfs/dbraw/zinc/54/88/38/962548838.db2.gz CKJSQYKRFZHURP-LHSJRXKWSA-N 0 1 381.432 3.374 20 0 GGADMN O=C([O-])c1cnc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cn1 ZINC000263397758 962559761 /nfs/dbraw/zinc/55/97/61/962559761.db2.gz ICWPQJPCFALNQE-UHFFFAOYSA-N 0 1 398.463 3.365 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000263424860 962598804 /nfs/dbraw/zinc/59/88/04/962598804.db2.gz LYSGVHRJWUVYLJ-UXHICEINSA-N 0 1 380.444 3.101 20 0 GGADMN CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263425790 962599268 /nfs/dbraw/zinc/59/92/68/962599268.db2.gz QMJXNBZBZCBWDR-UHFFFAOYSA-N 0 1 395.455 3.413 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263434429 962610393 /nfs/dbraw/zinc/61/03/93/962610393.db2.gz ZMOWVLNMDYLPLM-FQEVSTJZSA-N 0 1 381.476 3.095 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC001574691790 962637732 /nfs/dbraw/zinc/63/77/32/962637732.db2.gz HRKLGZYGEFAIHY-CYBMUJFWSA-N 0 1 383.286 3.355 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC001574692389 962649366 /nfs/dbraw/zinc/64/93/66/962649366.db2.gz YLVBRRCUYUXOON-HNNXBMFYSA-N 0 1 387.505 3.401 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC001574692389 962649372 /nfs/dbraw/zinc/64/93/72/962649372.db2.gz YLVBRRCUYUXOON-HNNXBMFYSA-N 0 1 387.505 3.401 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000263462703 962651149 /nfs/dbraw/zinc/65/11/49/962651149.db2.gz JGIPAJLZFKDDGZ-SOAGJPPSSA-N 0 1 387.524 3.326 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001353402639 962663331 /nfs/dbraw/zinc/66/33/31/962663331.db2.gz MCTKHJLFIKYQOK-ZCNNSNEGSA-N 0 1 399.535 3.039 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1)CC(C)C ZINC000263495710 962679927 /nfs/dbraw/zinc/67/99/27/962679927.db2.gz SRXXVQONBFSLBH-UHFFFAOYSA-N 0 1 381.561 3.419 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC001354071264 962713690 /nfs/dbraw/zinc/71/36/90/962713690.db2.gz CZSIUBRPXIEMPX-CYBMUJFWSA-N 0 1 382.338 3.001 20 0 GGADMN COc1cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc(Br)c1OC(F)F ZINC000263533859 962713957 /nfs/dbraw/zinc/71/39/57/962713957.db2.gz YBHSPMZUMMBOOW-HNNXBMFYSA-N 0 1 394.212 3.356 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607219 962743738 /nfs/dbraw/zinc/74/37/38/962743738.db2.gz DRVAYLLGOLOVBF-PZJWPPBQSA-N 0 1 393.487 3.045 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000263578662 962744323 /nfs/dbraw/zinc/74/43/23/962744323.db2.gz SWKOSKFPRFGCRN-UQCMEYCASA-N 0 1 380.847 3.302 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356632073 962749846 /nfs/dbraw/zinc/74/98/46/962749846.db2.gz UHMVTIAYQNEXLR-YSIASYRMSA-N 0 1 387.524 3.183 20 0 GGADMN CC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001517331805 962767020 /nfs/dbraw/zinc/76/70/20/962767020.db2.gz FTBCQHVNMOQDKZ-QHCPKHFHSA-N 0 1 394.471 3.047 20 0 GGADMN Cc1ccccc1C[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001520151228 962812429 /nfs/dbraw/zinc/81/24/29/962812429.db2.gz NVEHNFNSQVTSRJ-DVECYGJZSA-N 0 1 394.515 3.409 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001520167313 962821299 /nfs/dbraw/zinc/82/12/99/962821299.db2.gz HKYAMGMZLCDIJW-QGZVFWFLSA-N 0 1 387.505 3.245 20 0 GGADMN C[C@@](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001520167778 962824558 /nfs/dbraw/zinc/82/45/58/962824558.db2.gz VQGXOUXDNWUAMJ-REWPJTCUSA-N 0 1 398.478 3.339 20 0 GGADMN C[C@@](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001520167778 962824574 /nfs/dbraw/zinc/82/45/74/962824574.db2.gz VQGXOUXDNWUAMJ-REWPJTCUSA-N 0 1 398.478 3.339 20 0 GGADMN O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001520193731 962841698 /nfs/dbraw/zinc/84/16/98/962841698.db2.gz YRAAJEVOPALYCG-FRQCXROJSA-N 0 1 398.425 3.201 20 0 GGADMN O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001520193730 962842168 /nfs/dbraw/zinc/84/21/68/962842168.db2.gz YRAAJEVOPALYCG-FCEWJHQRSA-N 0 1 398.425 3.201 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cc3c(s2)CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001526687670 962875851 /nfs/dbraw/zinc/87/58/51/962875851.db2.gz HPMQJSVNDSTRED-JOCHJYFZSA-N 0 1 398.528 3.476 20 0 GGADMN COc1ccc(CC[N@@H+](Cc2c(C(=O)[O-])cnn2C)Cc2ccccc2)cc1 ZINC001574205034 962903316 /nfs/dbraw/zinc/90/33/16/962903316.db2.gz PSZISIYQCARVHL-UHFFFAOYSA-N 0 1 379.460 3.372 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1C ZINC001549037208 962935308 /nfs/dbraw/zinc/93/53/08/962935308.db2.gz OOAYZGVTHMHRBM-BMGDILEWSA-N 0 1 382.460 3.206 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c(OC)c1 ZINC001574225932 962973719 /nfs/dbraw/zinc/97/37/19/962973719.db2.gz KJEPWAAGLGLKCP-LSDHHAIUSA-N 0 1 388.464 3.449 20 0 GGADMN Cc1nn(C)c2ncc(C[N@@H+]3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)cc12 ZINC001553883469 963053412 /nfs/dbraw/zinc/05/34/12/963053412.db2.gz FTXRDQQCDHDDDB-ZWKOTPCHSA-N 0 1 384.867 3.230 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)cc1F ZINC000312060529 963531241 /nfs/dbraw/zinc/53/12/41/963531241.db2.gz GUXKASQKELFITI-UHFFFAOYSA-N 0 1 375.375 3.013 20 0 GGADMN O=C([O-])c1c(F)cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000312158268 963539140 /nfs/dbraw/zinc/53/91/40/963539140.db2.gz KGHMHSZMBLDMSK-UHFFFAOYSA-N 0 1 375.375 3.013 20 0 GGADMN O=C([O-])c1c(F)cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000312442512 963563498 /nfs/dbraw/zinc/56/34/98/963563498.db2.gz BQTWPFXBKLFCSK-ZDUSSCGKSA-N 0 1 375.375 3.059 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000313114285 963619128 /nfs/dbraw/zinc/61/91/28/963619128.db2.gz ZNXAPAJBYYCUIA-FUHWJXTLSA-N 0 1 375.513 3.087 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1Br ZINC000315044474 963849289 /nfs/dbraw/zinc/84/92/89/963849289.db2.gz QPUCPQOHLNINBN-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1Br ZINC000315044474 963849292 /nfs/dbraw/zinc/84/92/92/963849292.db2.gz QPUCPQOHLNINBN-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1Br ZINC000315044475 963849432 /nfs/dbraw/zinc/84/94/32/963849432.db2.gz QPUCPQOHLNINBN-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1Br ZINC000315044475 963849439 /nfs/dbraw/zinc/84/94/39/963849439.db2.gz QPUCPQOHLNINBN-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001573437685 964069860 /nfs/dbraw/zinc/06/98/60/964069860.db2.gz UZOZVXBMIHXZHP-ZIAGYGMSSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001573437679 964070794 /nfs/dbraw/zinc/07/07/94/964070794.db2.gz UZOZVXBMIHXZHP-KBPBESRZSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573438537 964072388 /nfs/dbraw/zinc/07/23/88/964072388.db2.gz ZZUGGHSRFYFWOP-HOCLYGCPSA-N 0 1 396.434 3.315 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263194751 967860387 /nfs/dbraw/zinc/86/03/87/967860387.db2.gz WESXVXJCGDYHEK-CHWSQXEVSA-N 0 1 383.286 3.353 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263194754 967860659 /nfs/dbraw/zinc/86/06/59/967860659.db2.gz WESXVXJCGDYHEK-STQMWFEESA-N 0 1 383.286 3.353 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000263212398 967863622 /nfs/dbraw/zinc/86/36/22/967863622.db2.gz ZIBBDHWMBDXCEM-CJNGLKHVSA-N 0 1 384.398 3.388 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000263321686 967870902 /nfs/dbraw/zinc/87/09/02/967870902.db2.gz JRIVPBWDENJWLQ-OLZOCXBDSA-N 0 1 376.478 3.370 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000263449785 967893742 /nfs/dbraw/zinc/89/37/42/967893742.db2.gz ZETYIEMSEPEQKA-UHFFFAOYSA-N 0 1 390.439 3.203 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263494263 967896675 /nfs/dbraw/zinc/89/66/75/967896675.db2.gz SFVOUXXDBMMWBJ-IAGOWNOFSA-N 0 1 381.476 3.189 20 0 GGADMN O=C([O-])CCCCCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000312670810 967955969 /nfs/dbraw/zinc/95/59/69/967955969.db2.gz LRDAPAFJOOCDJS-LJQANCHMSA-N 0 1 375.513 3.233 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603658 968099127 /nfs/dbraw/zinc/09/91/27/968099127.db2.gz PIKCEXQCKJYJPO-PKOBYXMFSA-N 0 1 375.513 3.039 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000397959686 968262076 /nfs/dbraw/zinc/26/20/76/968262076.db2.gz DFIMMTYEPILLAX-WMZOPIPTSA-N 0 1 375.513 3.087 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000424261825 968353778 /nfs/dbraw/zinc/35/37/78/968353778.db2.gz PMHARSZTLLBZAM-LPHOPBHVSA-N 0 1 387.505 3.068 20 0 GGADMN C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC000424272683 968355889 /nfs/dbraw/zinc/35/58/89/968355889.db2.gz UPXPJXCTABTKJN-JTSKRJEESA-N 0 1 396.487 3.067 20 0 GGADMN C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC000424272683 968355899 /nfs/dbraw/zinc/35/58/99/968355899.db2.gz UPXPJXCTABTKJN-JTSKRJEESA-N 0 1 396.487 3.067 20 0 GGADMN CC(C)(CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(=O)[O-] ZINC000424398867 968361946 /nfs/dbraw/zinc/36/19/46/968361946.db2.gz BEENIXAIDBJFMA-UHFFFAOYSA-N 0 1 387.524 3.185 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000424428329 968366526 /nfs/dbraw/zinc/36/65/26/968366526.db2.gz XDIOXYDXEXSMEZ-KNQAVFIVSA-N 0 1 387.524 3.041 20 0 GGADMN CC(C)(C)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150414 968378446 /nfs/dbraw/zinc/37/84/46/968378446.db2.gz ZQNRNXSPHZZTPF-FUHWJXTLSA-N 0 1 378.488 3.433 20 0 GGADMN CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000449150413 968378752 /nfs/dbraw/zinc/37/87/52/968378752.db2.gz ZQNRNXSPHZZTPF-AEFFLSMTSA-N 0 1 378.488 3.433 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000532880885 968401308 /nfs/dbraw/zinc/40/13/08/968401308.db2.gz CYHASLCYKONDFV-AOMKIAJQSA-N 0 1 398.528 3.409 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000564084316 968418165 /nfs/dbraw/zinc/41/81/65/968418165.db2.gz MMTDOWMVVPSITL-BLLLJJGKSA-N 0 1 376.478 3.370 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000564084320 968418286 /nfs/dbraw/zinc/41/82/86/968418286.db2.gz MMTDOWMVVPSITL-WBMJQRKESA-N 0 1 376.478 3.370 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000565362696 968423845 /nfs/dbraw/zinc/42/38/45/968423845.db2.gz LKBHMRQFLOCXDK-BUVFEPMLSA-N 0 1 398.478 3.416 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000565341371 968423973 /nfs/dbraw/zinc/42/39/73/968423973.db2.gz XRSFPZGZAFSWLM-SFHVURJKSA-N 0 1 380.488 3.469 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000570160526 968442355 /nfs/dbraw/zinc/44/23/55/968442355.db2.gz CYVKFUDSNXBPBD-SYNHAJSKSA-N 0 1 386.517 3.386 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000571981410 968447441 /nfs/dbraw/zinc/44/74/41/968447441.db2.gz YXCCGJBIULIZFU-XLIONFOSSA-N 0 1 387.524 3.457 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000577854229 968465377 /nfs/dbraw/zinc/46/53/77/968465377.db2.gz GUHPZILRRMLRQA-MRXNPFEDSA-N 0 1 386.414 3.097 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CCC[C@@H](CC(=O)[O-])C3)s2)c1 ZINC000579079420 968469003 /nfs/dbraw/zinc/46/90/03/968469003.db2.gz DIGHFBVRLKKXAG-INIZCTEOSA-N 0 1 387.505 3.168 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)s2)c1 ZINC000579079420 968469009 /nfs/dbraw/zinc/46/90/09/968469009.db2.gz DIGHFBVRLKKXAG-INIZCTEOSA-N 0 1 387.505 3.168 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC000583023278 968479170 /nfs/dbraw/zinc/47/91/70/968479170.db2.gz ZQHARSVKOVNQML-UWVAXJGDSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1C(=O)[O-] ZINC000583023276 968479371 /nfs/dbraw/zinc/47/93/71/968479371.db2.gz ZQHARSVKOVNQML-HLIPFELVSA-N 0 1 387.524 3.313 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)C2(CC(=O)[O-])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583753012 968481472 /nfs/dbraw/zinc/48/14/72/968481472.db2.gz KNZSPCDHNHWSME-CXAGYDPISA-N 0 1 382.863 3.233 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[C@@H]1C(=O)[O-] ZINC000626745333 968515051 /nfs/dbraw/zinc/51/50/51/968515051.db2.gz IVNMNPBVFCXTOY-UWVAXJGDSA-N 0 1 387.524 3.313 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000635298968 968541968 /nfs/dbraw/zinc/54/19/68/968541968.db2.gz LSICUNSCBXIIDL-UHFFFAOYSA-N 0 1 399.470 3.492 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000635520310 968548313 /nfs/dbraw/zinc/54/83/13/968548313.db2.gz ZMQMYTAEXVASAW-UXHICEINSA-N 0 1 389.540 3.477 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)cc1 ZINC000635519792 968548402 /nfs/dbraw/zinc/54/84/02/968548402.db2.gz SEBBSXGUWZAHPI-OQIJWPOYSA-N 0 1 387.524 3.004 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000647367627 968573858 /nfs/dbraw/zinc/57/38/58/968573858.db2.gz YAIFAIHWHGKNRU-KUDFPVQQSA-N 0 1 398.528 3.407 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000653328915 968661913 /nfs/dbraw/zinc/66/19/13/968661913.db2.gz OUILUPJSRGKENX-NJYVYQBISA-N 0 1 378.472 3.471 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578314 968685242 /nfs/dbraw/zinc/68/52/42/968685242.db2.gz QORHMUQSKNAAKZ-TWKWOARYSA-N 0 1 390.499 3.289 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC000655860801 968695830 /nfs/dbraw/zinc/69/58/30/968695830.db2.gz MEFMBEYZNSBRCO-QFBILLFUSA-N 0 1 375.513 3.217 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655874295 968701747 /nfs/dbraw/zinc/70/17/47/968701747.db2.gz XMAWFSGUOLXPCT-XWCCPHMRSA-N 0 1 387.524 3.084 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659402416 968733494 /nfs/dbraw/zinc/73/34/94/968733494.db2.gz FWFOCVCURZTBKR-INIZCTEOSA-N 0 1 381.904 3.277 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000659754956 968744989 /nfs/dbraw/zinc/74/49/89/968744989.db2.gz TXYYDIYHSVKDKU-KRWDZBQOSA-N 0 1 396.487 3.454 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000662223452 968756345 /nfs/dbraw/zinc/75/63/45/968756345.db2.gz NIUXPUVEBIZFFG-LEWJYISDSA-N 0 1 378.472 3.254 20 0 GGADMN CC(C)C[C@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)CC(=O)[O-] ZINC000663343746 968834387 /nfs/dbraw/zinc/83/43/87/968834387.db2.gz DEVUXXJFLDCYBZ-IRXDYDNUSA-N 0 1 391.512 3.338 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000682186111 968870670 /nfs/dbraw/zinc/87/06/70/968870670.db2.gz DAHHKISAPGTJTE-UHFFFAOYSA-N 0 1 395.459 3.161 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000720093628 969108759 /nfs/dbraw/zinc/10/87/59/969108759.db2.gz YRXXXAQKVZEQTP-IBGZPJMESA-N 0 1 375.513 3.328 20 0 GGADMN O=C([O-])c1ccccc1OCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000768781375 969161707 /nfs/dbraw/zinc/16/17/07/969161707.db2.gz BYIUIKWNTQQNQA-UHFFFAOYSA-N 0 1 383.473 3.196 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC000846274698 969252267 /nfs/dbraw/zinc/25/22/67/969252267.db2.gz WMUDTWYNKUZAOJ-HNNXBMFYSA-N 0 1 379.400 3.230 20 0 GGADMN CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852733430 969290045 /nfs/dbraw/zinc/29/00/45/969290045.db2.gz QDNLMRRJACFYGF-CABCVRRESA-N 0 1 386.414 3.080 20 0 GGADMN CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852733430 969290056 /nfs/dbraw/zinc/29/00/56/969290056.db2.gz QDNLMRRJACFYGF-CABCVRRESA-N 0 1 386.414 3.080 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc(=O)oc2c1 ZINC000852740860 969291728 /nfs/dbraw/zinc/29/17/28/969291728.db2.gz VGRGWPZRHDIACY-UHFFFAOYSA-N 0 1 390.436 3.294 20 0 GGADMN Nc1c(Br)cc(Br)cc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000859806237 969308445 /nfs/dbraw/zinc/30/84/45/969308445.db2.gz RSEIVGCSNXLWKX-UHFFFAOYSA-N 0 1 392.091 3.090 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)cn1 ZINC000873645879 969361509 /nfs/dbraw/zinc/36/15/09/969361509.db2.gz SKCGNOYRRMKAGC-ZIAGYGMSSA-N 0 1 383.370 3.009 20 0 GGADMN O=C([O-])C[NH+]1CCC(NCc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000874050368 969368046 /nfs/dbraw/zinc/36/80/46/969368046.db2.gz QVBBRXILBKCVDR-UHFFFAOYSA-N 0 1 376.403 3.396 20 0 GGADMN COc1cc(CNC2CC[NH+](CC(=O)[O-])CC2)c(-c2ccccc2)cc1OC ZINC000874051416 969368255 /nfs/dbraw/zinc/36/82/55/969368255.db2.gz ZVXLZIQQXIABJZ-UHFFFAOYSA-N 0 1 384.476 3.009 20 0 GGADMN COc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)c(-c2ccccc2)cc1OC ZINC000874051416 969368261 /nfs/dbraw/zinc/36/82/61/969368261.db2.gz ZVXLZIQQXIABJZ-UHFFFAOYSA-N 0 1 384.476 3.009 20 0 GGADMN C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874398022 969378121 /nfs/dbraw/zinc/37/81/21/969378121.db2.gz GVFSUSCLPUIFDW-LPHOPBHVSA-N 0 1 381.476 3.095 20 0 GGADMN O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000901501332 969437482 /nfs/dbraw/zinc/43/74/82/969437482.db2.gz VUKFFDDRAKMXOB-PCCBWWKXSA-N 0 1 384.520 3.248 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)C2(C(=O)[O-])CCSCC2)C[N@H+]1Cc1ccccc1 ZINC000901626363 969452861 /nfs/dbraw/zinc/45/28/61/969452861.db2.gz ZIJBJJJOGSLIHJ-FUHWJXTLSA-N 0 1 390.549 3.001 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)CC[C@@H]1C(=O)[O-] ZINC000901888202 969487024 /nfs/dbraw/zinc/48/70/24/969487024.db2.gz ANOLMXWJSXACOQ-KOLCDFICSA-N 0 1 384.299 3.443 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901926110 969493116 /nfs/dbraw/zinc/49/31/16/969493116.db2.gz SPXYZAAUCSYVFM-GFOMBABLSA-N 0 1 382.460 3.362 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC000901960558 969497714 /nfs/dbraw/zinc/49/77/14/969497714.db2.gz HNEGZBXFVPTXRW-BQYQJAHWSA-N 0 1 382.460 3.362 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C[C@H](C)O1 ZINC000901966198 969498968 /nfs/dbraw/zinc/49/89/68/969498968.db2.gz NZSRWDWFSMQFBR-DNLDOLJFSA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C[C@H](C)O1 ZINC000901966198 969498973 /nfs/dbraw/zinc/49/89/73/969498973.db2.gz NZSRWDWFSMQFBR-DNLDOLJFSA-N 0 1 384.432 3.239 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@@H+](CC(=O)[O-])C1CCC1 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/nfs/dbraw/zinc/59/45/21/969594521.db2.gz MPMJPJVWWQPUBD-UHFFFAOYSA-N 0 1 396.207 3.125 20 0 GGADMN O=C([O-])C1(CC[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CCC1 ZINC000903708103 969594527 /nfs/dbraw/zinc/59/45/27/969594527.db2.gz MPMJPJVWWQPUBD-UHFFFAOYSA-N 0 1 396.207 3.125 20 0 GGADMN Cc1ccccc1N1CC[NH+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC000904191871 969598922 /nfs/dbraw/zinc/59/89/22/969598922.db2.gz ZTYUUUYZDMVZRH-UHFFFAOYSA-N 0 1 383.492 3.211 20 0 GGADMN C[C@@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000904230748 969600883 /nfs/dbraw/zinc/60/08/83/969600883.db2.gz ATCXAEMDGWMQHV-IIBYNOLFSA-N 0 1 385.508 3.362 20 0 GGADMN CCSc1cc(C[NH2+]Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)ccn1 ZINC000904233885 969601579 /nfs/dbraw/zinc/60/15/79/969601579.db2.gz XKTPXTYHQZRWHU-UHFFFAOYSA-N 0 1 375.494 3.377 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)OC(F)(F)O4)o2)CC1 ZINC000904249320 969604106 /nfs/dbraw/zinc/60/41/06/969604106.db2.gz NADXNXBDCDSZER-UHFFFAOYSA-N 0 1 394.374 3.192 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SWJSORHVPKFXCC-OLZOCXBDSA-N 0 1 384.354 3.435 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)co2)cc1 ZINC000656759013 975686499 /nfs/dbraw/zinc/68/64/99/975686499.db2.gz SWJSORHVPKFXCC-OLZOCXBDSA-N 0 1 384.354 3.435 20 0 GGADMN Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000656767529 975701280 /nfs/dbraw/zinc/70/12/80/975701280.db2.gz SDPQGXNRGPQBLR-GBESFXJTSA-N 0 1 379.522 3.124 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H]2CCCC[C@@H]12 ZINC000656768617 975703302 /nfs/dbraw/zinc/70/33/02/975703302.db2.gz VZSWYVXKTKTXSJ-BHDDXSALSA-N 0 1 385.552 3.164 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cccc1C(=O)[O-] ZINC001591747513 975793232 /nfs/dbraw/zinc/79/32/32/975793232.db2.gz QGHATXNQFOAOHP-OAHLLOKOSA-N 0 1 375.469 3.310 20 0 GGADMN CC(C)Oc1cc(Cl)c(C[NH+]2CCC([C@@H](O)C(=O)[O-])CC2)cc1Cl ZINC001591755223 975817759 /nfs/dbraw/zinc/81/77/59/975817759.db2.gz FOIZROQFQOXDBU-MRXNPFEDSA-N 0 1 376.280 3.438 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000659399919 975845277 /nfs/dbraw/zinc/84/52/77/975845277.db2.gz IHARLJPTRCFRCV-MJGOQNOKSA-N 0 1 393.915 3.372 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000659399919 975845284 /nfs/dbraw/zinc/84/52/84/975845284.db2.gz IHARLJPTRCFRCV-MJGOQNOKSA-N 0 1 393.915 3.372 20 0 GGADMN CO[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)[C@H](C(=O)[O-])C1 ZINC000659794298 975883025 /nfs/dbraw/zinc/88/30/25/975883025.db2.gz HZRBFSOBJIXROC-DAYGRLMNSA-N 0 1 399.915 3.076 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000662222800 975903109 /nfs/dbraw/zinc/90/31/09/975903109.db2.gz PMKCIBRYRLIXNB-MRXNPFEDSA-N 0 1 378.350 3.328 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000662222800 975903116 /nfs/dbraw/zinc/90/31/16/975903116.db2.gz PMKCIBRYRLIXNB-MRXNPFEDSA-N 0 1 378.350 3.328 20 0 GGADMN CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000662224565 975906304 /nfs/dbraw/zinc/90/63/04/975906304.db2.gz SZIWQVUIZRNYRF-OAQYLSRUSA-N 0 1 394.515 3.327 20 0 GGADMN CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000662224565 975906312 /nfs/dbraw/zinc/90/63/12/975906312.db2.gz SZIWQVUIZRNYRF-OAQYLSRUSA-N 0 1 394.515 3.327 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000666539904 975967002 /nfs/dbraw/zinc/96/70/02/975967002.db2.gz AMHSBKDBKIHJDI-ZOBFTUDESA-N 0 1 399.535 3.230 20 0 GGADMN CC(C)Oc1cccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001591792328 975997609 /nfs/dbraw/zinc/99/76/09/975997609.db2.gz XZOKNWSDDKXMOG-SFHVURJKSA-N 0 1 392.496 3.370 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC001591866139 976166838 /nfs/dbraw/zinc/16/68/38/976166838.db2.gz AHDKMEPMGDWXLC-PXAZEXFGSA-N 0 1 386.414 3.456 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC001591866139 976166843 /nfs/dbraw/zinc/16/68/43/976166843.db2.gz AHDKMEPMGDWXLC-PXAZEXFGSA-N 0 1 386.414 3.456 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC[N@H+]1C ZINC001591907564 976313788 /nfs/dbraw/zinc/31/37/88/976313788.db2.gz VYVCUAZTXPKKJR-LJQANCHMSA-N 0 1 388.512 3.179 20 0 GGADMN CC(C)c1[nH]c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001591912122 976335651 /nfs/dbraw/zinc/33/56/51/976335651.db2.gz DHIZOVRCFKTKMZ-OAHLLOKOSA-N 0 1 388.443 3.371 20 0 GGADMN CC(C)c1[nH]c(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001591912122 976335667 /nfs/dbraw/zinc/33/56/67/976335667.db2.gz DHIZOVRCFKTKMZ-OAHLLOKOSA-N 0 1 388.443 3.371 20 0 GGADMN CC(C)c1ccc(-c2nc(C(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC001591936165 976458000 /nfs/dbraw/zinc/45/80/00/976458000.db2.gz RRLKMZGLPPCEHV-INIZCTEOSA-N 0 1 387.505 3.022 20 0 GGADMN C[N@H+](Cc1cc(Cl)ccc1I)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693045529 976580225 /nfs/dbraw/zinc/58/02/25/976580225.db2.gz YIHUMTVPASWODZ-DKTWLAJQSA-N 0 1 379.625 3.240 20 0 GGADMN C[N@@H+](Cc1cc(Cl)ccc1I)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693045529 976580231 /nfs/dbraw/zinc/58/02/31/976580231.db2.gz YIHUMTVPASWODZ-DKTWLAJQSA-N 0 1 379.625 3.240 20 0 GGADMN CC(C)c1cnc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)o1 ZINC001592003235 976660258 /nfs/dbraw/zinc/66/02/58/976660258.db2.gz NKCIUHKQSNDXET-LQZXRHCMSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)c1cnc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)o1 ZINC001592003235 976660266 /nfs/dbraw/zinc/66/02/66/976660266.db2.gz NKCIUHKQSNDXET-LQZXRHCMSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001592060983 976811416 /nfs/dbraw/zinc/81/14/16/976811416.db2.gz IKJWJUNDXLAFPB-PKOBYXMFSA-N 0 1 399.539 3.223 20 0 GGADMN CC(C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001592060980 976811628 /nfs/dbraw/zinc/81/16/28/976811628.db2.gz IKJWJUNDXLAFPB-HKUYNNGSSA-N 0 1 399.539 3.223 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001592148088 977007152 /nfs/dbraw/zinc/00/71/52/977007152.db2.gz AYTQINCMYHQGLR-RUJXFNLJSA-N 0 1 384.480 3.215 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001592148887 977015257 /nfs/dbraw/zinc/01/52/57/977015257.db2.gz XSQVHGDBZYKVOY-HNNXBMFYSA-N 0 1 392.887 3.469 20 0 GGADMN C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001592193017 977149672 /nfs/dbraw/zinc/14/96/72/977149672.db2.gz HUOYYDMFWLQZHK-VSADUAAZSA-N 0 1 384.451 3.172 20 0 GGADMN C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001592193012 977149887 /nfs/dbraw/zinc/14/98/87/977149887.db2.gz HUOYYDMFWLQZHK-CGNRZSRCSA-N 0 1 384.451 3.172 20 0 GGADMN C[C@H]1C[N@H+](Cc2c(Br)cncc2Br)C[C@]1(C)C(=O)[O-] ZINC000710300749 977502103 /nfs/dbraw/zinc/50/21/03/977502103.db2.gz VUWJNCHNXHBNCK-SDBXPKJASA-N 0 1 392.091 3.149 20 0 GGADMN C[C@H]1C[N@@H+](Cc2c(Br)cncc2Br)C[C@]1(C)C(=O)[O-] ZINC000710300749 977502109 /nfs/dbraw/zinc/50/21/09/977502109.db2.gz VUWJNCHNXHBNCK-SDBXPKJASA-N 0 1 392.091 3.149 20 0 GGADMN CC(C)[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC001592266981 977510159 /nfs/dbraw/zinc/51/01/59/977510159.db2.gz AFNRDDPODUOSOM-PXAZEXFGSA-N 0 1 386.452 3.349 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001592269937 977532033 /nfs/dbraw/zinc/53/20/33/977532033.db2.gz UXEIZBPJWWZIAM-BSIFCXSSSA-N 0 1 395.503 3.037 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1sc(N2CCCC2)nc1Cl)c1ccncc1 ZINC001592330069 977764147 /nfs/dbraw/zinc/76/41/47/977764147.db2.gz QETRDFUEOONNIO-KRWDZBQOSA-N 0 1 380.901 3.271 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccccn1 ZINC001592330764 977770763 /nfs/dbraw/zinc/77/07/63/977770763.db2.gz YFYGMAFEVMHPAZ-KRWDZBQOSA-N 0 1 389.253 3.200 20 0 GGADMN C[C@@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001592351607 977828662 /nfs/dbraw/zinc/82/86/62/977828662.db2.gz QMMAFUVBTUWTBG-FZMZJTMJSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001592351607 977828672 /nfs/dbraw/zinc/82/86/72/977828672.db2.gz QMMAFUVBTUWTBG-FZMZJTMJSA-N 0 1 394.821 3.492 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1F ZINC000716298799 977828654 /nfs/dbraw/zinc/82/86/54/977828654.db2.gz IBMCXUXOHANUQB-ZDUSSCGKSA-N 0 1 375.375 3.059 20 0 GGADMN CC(C)(CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000720854930 978068131 /nfs/dbraw/zinc/06/81/31/978068131.db2.gz DOQXRUZIMSYAEH-GOSISDBHSA-N 0 1 375.513 3.089 20 0 GGADMN CC(C)(CNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000720856209 978069010 /nfs/dbraw/zinc/06/90/10/978069010.db2.gz OHXASYTYXAXVJY-SFHVURJKSA-N 0 1 375.513 3.231 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720940132 978088832 /nfs/dbraw/zinc/08/88/32/978088832.db2.gz QDSMXUJKQDLHAE-SFHVURJKSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1CC(=O)[O-] ZINC000722696620 978164430 /nfs/dbraw/zinc/16/44/30/978164430.db2.gz HVFVVBUNFGKFMP-NXEZZACHSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@](CCF)([NH2+]CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C(=O)[O-] ZINC001592498285 978309772 /nfs/dbraw/zinc/30/97/72/978309772.db2.gz XEJVSWZFGALKEI-GOSISDBHSA-N 0 1 390.440 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000737168914 978384190 /nfs/dbraw/zinc/38/41/90/978384190.db2.gz YBPXZMRHERSLKX-SUMWQHHRSA-N 0 1 397.903 3.297 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C ZINC001592578685 978485507 /nfs/dbraw/zinc/48/55/07/978485507.db2.gz AUAOSXSKHVIVAN-XPTSAGLGSA-N 0 1 376.375 3.075 20 0 GGADMN C[C@H](C[N@H+](C)Cc1oc(Br)cc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592586626 978510712 /nfs/dbraw/zinc/51/07/12/978510712.db2.gz XCKKPKCGUQYRNN-SECBINFHSA-N 0 1 391.262 3.085 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1oc(Br)cc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592586626 978510716 /nfs/dbraw/zinc/51/07/16/978510716.db2.gz XCKKPKCGUQYRNN-SECBINFHSA-N 0 1 391.262 3.085 20 0 GGADMN C[C@@H](C[N@H+](C)Cc1oc(Br)cc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592586627 978510770 /nfs/dbraw/zinc/51/07/70/978510770.db2.gz XCKKPKCGUQYRNN-VIFPVBQESA-N 0 1 391.262 3.085 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1oc(Br)cc1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592586627 978510772 /nfs/dbraw/zinc/51/07/72/978510772.db2.gz XCKKPKCGUQYRNN-VIFPVBQESA-N 0 1 391.262 3.085 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1)C(=O)[O-] ZINC001592592891 978522422 /nfs/dbraw/zinc/52/24/22/978522422.db2.gz TYLBREQJTKIMGK-INIZCTEOSA-N 0 1 384.480 3.160 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC1)C(=O)[O-] ZINC001592593210 978525483 /nfs/dbraw/zinc/52/54/83/978525483.db2.gz XNRZESHCVFGNEY-HNNXBMFYSA-N 0 1 398.507 3.293 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001592604413 978542783 /nfs/dbraw/zinc/54/27/83/978542783.db2.gz AQWYGKFPBIOWSW-RADWXHQJSA-N 0 1 388.508 3.466 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001592604538 978544069 /nfs/dbraw/zinc/54/40/69/978544069.db2.gz FKWBAHCZUUBKII-UYAOXDASSA-N 0 1 380.488 3.372 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001592604537 978544650 /nfs/dbraw/zinc/54/46/50/978544650.db2.gz FKWBAHCZUUBKII-QUCCMNQESA-N 0 1 380.488 3.372 20 0 GGADMN C[C@H](C[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 ZINC001592611259 978566931 /nfs/dbraw/zinc/56/69/31/978566931.db2.gz MVBMPJLCWQSLMQ-RHSMWYFYSA-N 0 1 392.471 3.183 20 0 GGADMN C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1CC(=O)[O-] ZINC001592624490 978599353 /nfs/dbraw/zinc/59/93/53/978599353.db2.gz PKLIMCVBVWLIJD-IBGZPJMESA-N 0 1 382.504 3.037 20 0 GGADMN O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569107 978645770 /nfs/dbraw/zinc/64/57/70/978645770.db2.gz VBYKGASKCHPEIT-IRXDYDNUSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569107 978645772 /nfs/dbraw/zinc/64/57/72/978645772.db2.gz VBYKGASKCHPEIT-IRXDYDNUSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])c1coc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000740269335 978673537 /nfs/dbraw/zinc/67/35/37/978673537.db2.gz MXPJYDHPSVRJSB-UHFFFAOYSA-N 0 1 377.828 3.371 20 0 GGADMN O=C([O-])c1coc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000740269335 978673541 /nfs/dbraw/zinc/67/35/41/978673541.db2.gz MXPJYDHPSVRJSB-UHFFFAOYSA-N 0 1 377.828 3.371 20 0 GGADMN C[C@@H](CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412064 978959322 /nfs/dbraw/zinc/95/93/22/978959322.db2.gz FCQLSZNSXPZVFL-KRWDZBQOSA-N 0 1 383.492 3.437 20 0 GGADMN C[C@H](CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000827412777 978959348 /nfs/dbraw/zinc/95/93/48/978959348.db2.gz SBSQMNZLDMWOCT-MRXNPFEDSA-N 0 1 381.476 3.321 20 0 GGADMN C[C@@H]1CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]2CCCC[C@H]12 ZINC000828289873 978978651 /nfs/dbraw/zinc/97/86/51/978978651.db2.gz ONWNEKCBOQIJOV-OLMNPRSZSA-N 0 1 385.464 3.012 20 0 GGADMN CC[C@@H](C)[N@@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828753003 978987805 /nfs/dbraw/zinc/98/78/05/978987805.db2.gz BYRWGOHTVYSFMJ-MRXNPFEDSA-N 0 1 395.459 3.412 20 0 GGADMN CC[C@@H](C)[N@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828753003 978987807 /nfs/dbraw/zinc/98/78/07/978987807.db2.gz BYRWGOHTVYSFMJ-MRXNPFEDSA-N 0 1 395.459 3.412 20 0 GGADMN CCC[C@@]1(C)CCC[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000829238565 978996170 /nfs/dbraw/zinc/99/61/70/978996170.db2.gz WYBJLHIFCZIKHJ-KNQAVFIVSA-N 0 1 385.508 3.182 20 0 GGADMN CCC[N@@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829496527 979000665 /nfs/dbraw/zinc/00/06/65/979000665.db2.gz GCYQNTOBBYXPGU-UHFFFAOYSA-N 0 1 381.432 3.023 20 0 GGADMN CCC[N@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829496527 979000670 /nfs/dbraw/zinc/00/06/70/979000670.db2.gz GCYQNTOBBYXPGU-UHFFFAOYSA-N 0 1 381.432 3.023 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000832928558 979056873 /nfs/dbraw/zinc/05/68/73/979056873.db2.gz UGGGCTBBAHEHRD-LJQANCHMSA-N 0 1 393.443 3.256 20 0 GGADMN Cc1ccc([C@H]2CCC[N@H+]2CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000832928558 979056877 /nfs/dbraw/zinc/05/68/77/979056877.db2.gz UGGGCTBBAHEHRD-LJQANCHMSA-N 0 1 393.443 3.256 20 0 GGADMN Cc1ccccc1[C@@H](O)C[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000832981234 979063955 /nfs/dbraw/zinc/06/39/55/979063955.db2.gz DBHWWHMXVOCYLJ-VQTJNVASSA-N 0 1 388.895 3.125 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001595017534 979080522 /nfs/dbraw/zinc/08/05/22/979080522.db2.gz HNSPBJNUJIGKBT-BQFCYCMXSA-N 0 1 389.544 3.110 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001595017672 979082522 /nfs/dbraw/zinc/08/25/22/979082522.db2.gz JPSPQQHTFUTIIO-FJIDUMEYSA-N 0 1 391.560 3.213 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC001592674117 979082814 /nfs/dbraw/zinc/08/28/14/979082814.db2.gz BOUVSZCXJDDFEI-GFCCVEGCSA-N 0 1 389.402 3.231 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001595017832 979084295 /nfs/dbraw/zinc/08/42/95/979084295.db2.gz LYHWDXVQAOJQBI-OKZBNKHCSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[N@@H+]1CCc2sccc2C1 ZINC001592675308 979088824 /nfs/dbraw/zinc/08/88/24/979088824.db2.gz QHGBZQJWDKREFP-SNVBAGLBSA-N 0 1 395.431 3.293 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[N@H+]1CCc2sccc2C1 ZINC001592675308 979088829 /nfs/dbraw/zinc/08/88/29/979088829.db2.gz QHGBZQJWDKREFP-SNVBAGLBSA-N 0 1 395.431 3.293 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@H+]1CCc2ccccc2C1 ZINC001592675410 979089834 /nfs/dbraw/zinc/08/98/34/979089834.db2.gz SUDWSFOYLLXUHP-GFCCVEGCSA-N 0 1 388.855 3.002 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC001592681538 979099714 /nfs/dbraw/zinc/09/97/14/979099714.db2.gz BRUWUUFMBUSFDE-GFCCVEGCSA-N 0 1 391.468 3.083 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[N@H+]1CCc2sccc2C1 ZINC001592681538 979099720 /nfs/dbraw/zinc/09/97/20/979099720.db2.gz BRUWUUFMBUSFDE-GFCCVEGCSA-N 0 1 391.468 3.083 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC001592683613 979113128 /nfs/dbraw/zinc/11/31/28/979113128.db2.gz SYQLPYGCNCFOQL-CQSZACIVSA-N 0 1 387.505 3.334 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC001592683613 979113130 /nfs/dbraw/zinc/11/31/30/979113130.db2.gz SYQLPYGCNCFOQL-CQSZACIVSA-N 0 1 387.505 3.334 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001592688568 979129382 /nfs/dbraw/zinc/12/93/82/979129382.db2.gz DVJSZRQGLJFGIB-LBPRGKRZSA-N 0 1 393.459 3.361 20 0 GGADMN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001592688567 979129506 /nfs/dbraw/zinc/12/95/06/979129506.db2.gz DVJSZRQGLJFGIB-GFCCVEGCSA-N 0 1 393.459 3.361 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000833418864 979182898 /nfs/dbraw/zinc/18/28/98/979182898.db2.gz BXNYDPPUIFSNSR-LBPRGKRZSA-N 0 1 380.851 3.383 20 0 GGADMN CC[C@H](CC(F)(F)F)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001595039870 979217961 /nfs/dbraw/zinc/21/79/61/979217961.db2.gz WMVOOBKIJNFPQE-QAPCUYQASA-N 0 1 386.414 3.201 20 0 GGADMN CCC(CC)(C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001595041425 979223676 /nfs/dbraw/zinc/22/36/76/979223676.db2.gz NHBOHABYXDZTOD-HNNXBMFYSA-N 0 1 380.916 3.405 20 0 GGADMN CCC(CC)(C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccc(Cl)cc1 ZINC001595041426 979223972 /nfs/dbraw/zinc/22/39/72/979223972.db2.gz NHBOHABYXDZTOD-OAHLLOKOSA-N 0 1 380.916 3.405 20 0 GGADMN CCOc1ccccc1CN1CC[N@@H+](CCOc2ccccc2C(=O)[O-])[C@@H](C)C1 ZINC000836693560 979246928 /nfs/dbraw/zinc/24/69/28/979246928.db2.gz SDXNMJCIXWDPGT-SFHVURJKSA-N 0 1 398.503 3.369 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000842659107 979323818 /nfs/dbraw/zinc/32/38/18/979323818.db2.gz ANJSSRHIXRHFIB-NWDGAFQWSA-N 0 1 383.286 3.340 20 0 GGADMN COc1ccccc1OCC[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000846237399 979417443 /nfs/dbraw/zinc/41/74/43/979417443.db2.gz HGQXJOMSMZXQJI-UHFFFAOYSA-N 0 1 379.840 3.436 20 0 GGADMN CCC(CC)C(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001595104115 979417892 /nfs/dbraw/zinc/41/78/92/979417892.db2.gz UGKXBCCNPOITCA-MRXNPFEDSA-N 0 1 386.414 3.412 20 0 GGADMN CCC(CC)C(=O)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001595104114 979417901 /nfs/dbraw/zinc/41/79/01/979417901.db2.gz UGKXBCCNPOITCA-INIZCTEOSA-N 0 1 386.414 3.412 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)COC3)CC2 ZINC000846260005 979430391 /nfs/dbraw/zinc/43/03/91/979430391.db2.gz CAPQBYAGYADPMY-LJQANCHMSA-N 0 1 383.444 3.308 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC[C@@H](O)c1ccccc1)CC2 ZINC000846262163 979431908 /nfs/dbraw/zinc/43/19/08/979431908.db2.gz VVRZCPDOYJHNOP-RTBURBONSA-N 0 1 385.460 3.201 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC[C@H](O)c1ccccc1)CC2 ZINC000846262148 979432020 /nfs/dbraw/zinc/43/20/20/979432020.db2.gz VVRZCPDOYJHNOP-MOPGFXCFSA-N 0 1 385.460 3.201 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[NH+]1CCOCC1 ZINC001595106489 979433312 /nfs/dbraw/zinc/43/33/12/979433312.db2.gz OVCYDIJPZGKETR-KRWDZBQOSA-N 0 1 397.903 3.297 20 0 GGADMN O=C([O-])C[N@H+](CCc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000846269434 979435306 /nfs/dbraw/zinc/43/53/06/979435306.db2.gz KMKZDAXDWDFTCT-QGZVFWFLSA-N 0 1 378.266 3.112 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000846275585 979441003 /nfs/dbraw/zinc/44/10/03/979441003.db2.gz JECKQTXOQSJJPY-MSOLQXFVSA-N 0 1 390.277 3.384 20 0 GGADMN COc1ccc(OCc2nc(C[N@@H+]3CCC[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000846276022 979442899 /nfs/dbraw/zinc/44/28/99/979442899.db2.gz XTHWQANPSOQRIB-LJQANCHMSA-N 0 1 376.478 3.417 20 0 GGADMN COc1ccc(OCc2nc(C[N@H+]3CCC[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000846276022 979442904 /nfs/dbraw/zinc/44/29/04/979442904.db2.gz XTHWQANPSOQRIB-LJQANCHMSA-N 0 1 376.478 3.417 20 0 GGADMN O=C([O-])c1cccc2c1C[N@@H+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000846276423 979444046 /nfs/dbraw/zinc/44/40/46/979444046.db2.gz QUJQLIPJJAYWOR-KRWDZBQOSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])c1cccc2c1C[N@@H+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000846276424 979444261 /nfs/dbraw/zinc/44/42/61/979444261.db2.gz QUJQLIPJJAYWOR-QGZVFWFLSA-N 0 1 376.250 3.239 20 0 GGADMN COc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])cs2)cc1 ZINC000846278743 979446010 /nfs/dbraw/zinc/44/60/10/979446010.db2.gz SYMQQWIYRYWZDR-IXDGSTSKSA-N 0 1 388.489 3.416 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000846280267 979448368 /nfs/dbraw/zinc/44/83/68/979448368.db2.gz JOBYOCYLRHAPMU-PKOBYXMFSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000846280260 979448564 /nfs/dbraw/zinc/44/85/64/979448564.db2.gz JOBYOCYLRHAPMU-HKUYNNGSSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000846280281 979449900 /nfs/dbraw/zinc/44/99/00/979449900.db2.gz KEXTUZATBCVGLG-PKOBYXMFSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000846280307 979449944 /nfs/dbraw/zinc/44/99/44/979449944.db2.gz KXXHQAMRYLYTIJ-HKUYNNGSSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000846285286 979455919 /nfs/dbraw/zinc/45/59/19/979455919.db2.gz MGRJCAWIMAHVOF-NUJGCVRESA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])[C@]12C[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C[C@H]1COCC2 ZINC000846283681 979456133 /nfs/dbraw/zinc/45/61/33/979456133.db2.gz GLNYSNRWTXQJOO-FDQGKXFDSA-N 0 1 380.282 3.250 20 0 GGADMN O=C([O-])C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cccc(Br)c1 ZINC000846285502 979457175 /nfs/dbraw/zinc/45/71/75/979457175.db2.gz OMQLRWVKJZNKSQ-QGZVFWFLSA-N 0 1 378.266 3.459 20 0 GGADMN Cn1cc(CCC[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)cn1 ZINC000846285975 979458028 /nfs/dbraw/zinc/45/80/28/979458028.db2.gz QYHKLNHBCBUARE-UHFFFAOYSA-N 0 1 380.286 3.092 20 0 GGADMN Cn1c(Cl)cnc1C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000846289280 979459454 /nfs/dbraw/zinc/45/94/54/979459454.db2.gz QOEGMTIKMGDUPO-QWHCGFSZSA-N 0 1 398.688 3.136 20 0 GGADMN Cn1c(Cl)cnc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000846289280 979459459 /nfs/dbraw/zinc/45/94/59/979459459.db2.gz QOEGMTIKMGDUPO-QWHCGFSZSA-N 0 1 398.688 3.136 20 0 GGADMN CCC(CC)[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001595114624 979466405 /nfs/dbraw/zinc/46/64/05/979466405.db2.gz SVQSXXWUTXSUMC-UHFFFAOYSA-N 0 1 382.482 3.133 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1 ZINC000848640307 979475275 /nfs/dbraw/zinc/47/52/75/979475275.db2.gz PDFBKEJKLBUDFH-UHFFFAOYSA-N 0 1 384.398 3.294 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1 ZINC000848640307 979475282 /nfs/dbraw/zinc/47/52/82/979475282.db2.gz PDFBKEJKLBUDFH-UHFFFAOYSA-N 0 1 384.398 3.294 20 0 GGADMN CC[C@@H](C[N@@H+](CC)CCCN1C(=O)CS/C1=C\C(=O)[O-])c1ccccc1 ZINC001595129522 979535854 /nfs/dbraw/zinc/53/58/54/979535854.db2.gz MGPBOHXJRFIHAX-UEIJICEPSA-N 0 1 376.522 3.394 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000851704891 979568233 /nfs/dbraw/zinc/56/82/33/979568233.db2.gz FCVQHOITSLXUAH-FUHWJXTLSA-N 0 1 388.508 3.171 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000851704893 979568325 /nfs/dbraw/zinc/56/83/25/979568325.db2.gz FCVQHOITSLXUAH-WMZOPIPTSA-N 0 1 388.508 3.171 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC000851706156 979571124 /nfs/dbraw/zinc/57/11/24/979571124.db2.gz FZLVKTMTOCTGBP-QGZVFWFLSA-N 0 1 378.266 3.459 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)Cc2ccccc21 ZINC000852735432 979583858 /nfs/dbraw/zinc/58/38/58/979583858.db2.gz MPVYTDDYOFVOIX-FQEVSTJZSA-N 0 1 375.424 3.466 20 0 GGADMN Cc1oc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1C(=O)[O-] ZINC000859791737 979632076 /nfs/dbraw/zinc/63/20/76/979632076.db2.gz VBJCIRCGELURTK-HNNXBMFYSA-N 0 1 383.231 3.488 20 0 GGADMN Cc1oc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1C(=O)[O-] ZINC000859791738 979632307 /nfs/dbraw/zinc/63/23/07/979632307.db2.gz VBJCIRCGELURTK-OAHLLOKOSA-N 0 1 383.231 3.488 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000859815850 979646021 /nfs/dbraw/zinc/64/60/21/979646021.db2.gz XPVAPOOAHHXQBS-WFASDCNBSA-N 0 1 382.386 3.436 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000859815849 979646349 /nfs/dbraw/zinc/64/63/49/979646349.db2.gz XPVAPOOAHHXQBS-SWLSCSKDSA-N 0 1 382.386 3.436 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816370 979647297 /nfs/dbraw/zinc/64/72/97/979647297.db2.gz CHLAPOVCHYIOSW-WFASDCNBSA-N 0 1 393.285 3.179 20 0 GGADMN CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)[N@H+]1CCc2ccccc2C1 ZINC001595152844 979649505 /nfs/dbraw/zinc/64/95/05/979649505.db2.gz PQYLBNKCJMGDSQ-GOSISDBHSA-N 0 1 397.475 3.352 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(=O)[O-] ZINC001592873114 979734214 /nfs/dbraw/zinc/73/42/14/979734214.db2.gz RJAUSTOLTRFLRP-BSIFCXSSSA-N 0 1 395.503 3.417 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592873394 979735463 /nfs/dbraw/zinc/73/54/63/979735463.db2.gz UDEWVIVZJBVNGO-INIZCTEOSA-N 0 1 381.476 3.130 20 0 GGADMN C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(OCC(=O)[O-])c2)CC1 ZINC001592892095 979789049 /nfs/dbraw/zinc/78/90/49/979789049.db2.gz SIFLRQHRVHNTSZ-GOSISDBHSA-N 0 1 382.504 3.335 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900071564 980244377 /nfs/dbraw/zinc/24/43/77/980244377.db2.gz SRIQQNIKVCYSIT-OAHLLOKOSA-N 0 1 385.855 3.354 20 0 GGADMN Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073471 980245692 /nfs/dbraw/zinc/24/56/92/980245692.db2.gz JPOHHFKXHULCDZ-GFCCVEGCSA-N 0 1 382.233 3.416 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000901425361 980270877 /nfs/dbraw/zinc/27/08/77/980270877.db2.gz XTORKRVHPVEAFM-QRWLVFNGSA-N 0 1 398.459 3.150 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000901425361 980270882 /nfs/dbraw/zinc/27/08/82/980270882.db2.gz XTORKRVHPVEAFM-QRWLVFNGSA-N 0 1 398.459 3.150 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000901431317 980280437 /nfs/dbraw/zinc/28/04/37/980280437.db2.gz SIDPBSSAHXGLNI-GOSISDBHSA-N 0 1 385.464 3.083 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000901432247 980281605 /nfs/dbraw/zinc/28/16/05/980281605.db2.gz WCOZDTDAXOTJQW-UHFFFAOYSA-N 0 1 385.508 3.403 20 0 GGADMN O=C([O-])c1ccc(COc2ccccc2C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000901437180 980285406 /nfs/dbraw/zinc/28/54/06/980285406.db2.gz PBLGQUIFYHZBGY-UHFFFAOYSA-N 0 1 397.471 3.345 20 0 GGADMN O=C([O-])c1ccc(COc2ccccc2C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000901437180 980285409 /nfs/dbraw/zinc/28/54/09/980285409.db2.gz PBLGQUIFYHZBGY-UHFFFAOYSA-N 0 1 397.471 3.345 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1Br ZINC000901454189 980294923 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ZINC000902001948 980679945 /nfs/dbraw/zinc/67/99/45/980679945.db2.gz KJYIKKWKAIWPCN-QGZVFWFLSA-N 0 1 377.387 3.219 20 0 GGADMN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000902001948 980679952 /nfs/dbraw/zinc/67/99/52/980679952.db2.gz KJYIKKWKAIWPCN-QGZVFWFLSA-N 0 1 377.387 3.219 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1OCc1cccnc1 ZINC000902006610 980683843 /nfs/dbraw/zinc/68/38/43/980683843.db2.gz GZPCCKLOMNOIJJ-BBTUJRGHSA-N 0 1 382.460 3.354 20 0 GGADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007064 980685328 /nfs/dbraw/zinc/68/53/28/980685328.db2.gz JHBWVUOJZPLQBX-IOASZLSFSA-N 0 1 396.281 3.296 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902008413 980686315 /nfs/dbraw/zinc/68/63/15/980686315.db2.gz UJWDUJJQHSRMEG-HNNXBMFYSA-N 0 1 378.270 3.382 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])ccc1OCc1ccncc1 ZINC000902008952 980686979 /nfs/dbraw/zinc/68/69/79/980686979.db2.gz TUGCBSQOSVLFRG-UEXGIBASSA-N 0 1 382.460 3.354 20 0 GGADMN Cc1cc(Br)cn2c(C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])cnc12 ZINC000902010278 980688690 /nfs/dbraw/zinc/68/86/90/980688690.db2.gz CORZRNRQCSYEPF-NILFDRSVSA-N 0 1 378.270 3.090 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc(OC)c1OCC(F)F ZINC000902011359 980690086 /nfs/dbraw/zinc/69/00/86/980690086.db2.gz LCBYOROFKGRIGO-AHIWAGSCSA-N 0 1 385.407 3.033 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)[C@H](C(=O)[O-])C1 ZINC000902028353 980698508 /nfs/dbraw/zinc/69/85/08/980698508.db2.gz FAHYMQIJFKWCIL-GWCFXTLKSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)[C@H](C(=O)[O-])C1 ZINC000902028357 980698543 /nfs/dbraw/zinc/69/85/43/980698543.db2.gz FAHYMQIJFKWCIL-MFKMUULPSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)[C@@H](C(=O)[O-])C1 ZINC000902028355 980698611 /nfs/dbraw/zinc/69/86/11/980698611.db2.gz FAHYMQIJFKWCIL-GXFFZTMASA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)[C@@H](C(=O)[O-])C1 ZINC000902031139 980702196 /nfs/dbraw/zinc/70/21/96/980702196.db2.gz HUILLRDNNQZKPK-IUODEOHRSA-N 0 1 379.254 3.061 20 0 GGADMN O=C([O-])c1coc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000902111352 980739653 /nfs/dbraw/zinc/73/96/53/980739653.db2.gz KNSOZAQBMCSOTH-MRXNPFEDSA-N 0 1 396.365 3.450 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](Cc3c(C)nn(CCC(=O)[O-])c3C)C2)cc1 ZINC000902124524 980746442 /nfs/dbraw/zinc/74/64/42/980746442.db2.gz FWRNGVNNTIQHIU-IBGZPJMESA-N 0 1 385.508 3.438 20 0 GGADMN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001595360204 980749968 /nfs/dbraw/zinc/74/99/68/980749968.db2.gz SCEXRANWCAQSKO-QULHZPMSSA-N 0 1 386.423 3.426 20 0 GGADMN CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001595360886 980756135 /nfs/dbraw/zinc/75/61/35/980756135.db2.gz PCKCOJPORJFMPO-LJQANCHMSA-N 0 1 378.432 3.254 20 0 GGADMN O=C([O-])CN1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000902163093 980762858 /nfs/dbraw/zinc/76/28/58/980762858.db2.gz XFCZWYSTEFQEQI-SFHVURJKSA-N 0 1 381.314 3.429 20 0 GGADMN COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC000902186051 980773367 /nfs/dbraw/zinc/77/33/67/980773367.db2.gz VMFPRJPGMTVJJJ-OAQYLSRUSA-N 0 1 386.467 3.257 20 0 GGADMN COc1ccc([C@@H](Cc2ccc(F)cc2)NC2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000902186051 980773373 /nfs/dbraw/zinc/77/33/73/980773373.db2.gz VMFPRJPGMTVJJJ-OAQYLSRUSA-N 0 1 386.467 3.257 20 0 GGADMN CCc1oc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000902186819 980774274 /nfs/dbraw/zinc/77/42/74/980774274.db2.gz IRXOUKBUFPYQJJ-UHFFFAOYSA-N 0 1 384.476 3.207 20 0 GGADMN CCc1oc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000902186819 980774276 /nfs/dbraw/zinc/77/42/76/980774276.db2.gz IRXOUKBUFPYQJJ-UHFFFAOYSA-N 0 1 384.476 3.207 20 0 GGADMN O=C([O-])c1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)on1 ZINC000902259143 980804680 /nfs/dbraw/zinc/80/46/80/980804680.db2.gz NSIAJLBKGOYFDD-UHFFFAOYSA-N 0 1 381.791 3.016 20 0 GGADMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2ccccc2OCC(=O)[O-])C1 ZINC001595368310 980825291 /nfs/dbraw/zinc/82/52/91/980825291.db2.gz FUEBNQOEYDCCEQ-OAQYLSRUSA-N 0 1 377.481 3.484 20 0 GGADMN CCc1oc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1C(=O)[O-] ZINC000902313103 980829303 /nfs/dbraw/zinc/82/93/03/980829303.db2.gz PTHCUHWSMKCVFX-HNNXBMFYSA-N 0 1 376.840 3.479 20 0 GGADMN C[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902366624 980855892 /nfs/dbraw/zinc/85/58/92/980855892.db2.gz AGRVVPNQAYBGJQ-AWEZNQCLSA-N 0 1 383.330 3.299 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CCOCc2ccc(Cl)cc2Cl)CC1 ZINC000902382744 980864569 /nfs/dbraw/zinc/86/45/69/980864569.db2.gz UVSVLIAYMZXNOT-UHFFFAOYSA-N 0 1 389.323 3.429 20 0 GGADMN CCC1(CC)[C@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@@H]1OC ZINC001595374162 980880598 /nfs/dbraw/zinc/88/05/98/980880598.db2.gz VZBRKYAJDNAFNA-CABCVRRESA-N 0 1 394.537 3.399 20 0 GGADMN O=C([O-])CN1CCC([NH2+]CC2(c3ccc(Br)s3)CCC2)CC1 ZINC000902458301 980897203 /nfs/dbraw/zinc/89/72/03/980897203.db2.gz IQPZZWIQABKELW-UHFFFAOYSA-N 0 1 387.343 3.071 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H]1CC(=O)[O-] ZINC000902560152 980932192 /nfs/dbraw/zinc/93/21/92/980932192.db2.gz PAJHZFCTUBJKQV-CZUORRHYSA-N 0 1 381.398 3.493 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902559683 980932338 /nfs/dbraw/zinc/93/23/38/980932338.db2.gz KAEBWVWASNZGBZ-TZMCWYRMSA-N 0 1 392.297 3.486 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(Br)c3)C2)n1 ZINC000902562643 980932935 /nfs/dbraw/zinc/93/29/35/980932935.db2.gz OLIBOHBBLULMBZ-CYBMUJFWSA-N 0 1 378.270 3.260 20 0 GGADMN CC[C@@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001595392206 980950803 /nfs/dbraw/zinc/95/08/03/980950803.db2.gz ASCSWRYCAHXYFD-OAQYLSRUSA-N 0 1 389.448 3.302 20 0 GGADMN CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)CC1 ZINC000903500487 980962868 /nfs/dbraw/zinc/96/28/68/980962868.db2.gz VKEWFGTXJSQPBH-UHFFFAOYSA-N 0 1 390.505 3.033 20 0 GGADMN O=C([O-])C[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000903601115 980983135 /nfs/dbraw/zinc/98/31/35/980983135.db2.gz FHRBSRCVDBFOMX-CHWSQXEVSA-N 0 1 396.203 3.446 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000903603253 980985281 /nfs/dbraw/zinc/98/52/81/980985281.db2.gz MXWMAHDPWDPCFO-CZUORRHYSA-N 0 1 380.282 3.362 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(Br)c1OC ZINC000903611839 980992338 /nfs/dbraw/zinc/99/23/38/980992338.db2.gz TWDHOTKMLZRLTK-SJCJKPOMSA-N 0 1 384.270 3.153 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000903617402 980995632 /nfs/dbraw/zinc/99/56/32/980995632.db2.gz WDHVXFLFOYTOCE-QGZVFWFLSA-N 0 1 379.378 3.365 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C2 ZINC000903619376 980997011 /nfs/dbraw/zinc/99/70/11/980997011.db2.gz YUFCWUDSAIJWMN-INIZCTEOSA-N 0 1 395.377 3.202 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000903619110 980997247 /nfs/dbraw/zinc/99/72/47/980997247.db2.gz RSSGQIVQZXNOCU-UHFFFAOYSA-N 0 1 391.475 3.267 20 0 GGADMN Cc1cc2ncn(C[C@@H](O)C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c2cc1C ZINC000903621075 980997685 /nfs/dbraw/zinc/99/76/85/980997685.db2.gz OQCJAOKMJGVJAA-KRWDZBQOSA-N 0 1 375.513 3.083 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000903627223 981003120 /nfs/dbraw/zinc/00/31/20/981003120.db2.gz NESMKYAAPAAYDQ-HIFRSBDPSA-N 0 1 377.334 3.196 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903630996 981006683 /nfs/dbraw/zinc/00/66/83/981006683.db2.gz JFQADFSSOXRCOC-CJNGLKHVSA-N 0 1 378.270 3.188 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3Br)C2)n1 ZINC000903630991 981007306 /nfs/dbraw/zinc/00/73/06/981007306.db2.gz JAXWGYZWPOAPBE-CQSZACIVSA-N 0 1 378.270 3.260 20 0 GGADMN Cn1ccc([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631362 981008017 /nfs/dbraw/zinc/00/80/17/981008017.db2.gz RDOSFMFIBIXXFF-BLLLJJGKSA-N 0 1 378.270 3.188 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903707112 981017045 /nfs/dbraw/zinc/01/70/45/981017045.db2.gz LPQDJNZBEUQWEN-GFCCVEGCSA-N 0 1 381.354 3.062 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000903707113 981017078 /nfs/dbraw/zinc/01/70/78/981017078.db2.gz LPQDJNZBEUQWEN-LBPRGKRZSA-N 0 1 381.354 3.062 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(Br)cc1C(=O)[O-] ZINC000903899345 981028178 /nfs/dbraw/zinc/02/81/78/981028178.db2.gz YGFREYLAUXURGM-ABAIWWIYSA-N 0 1 384.270 3.157 20 0 GGADMN COc1ccc(F)cc1-c1cncc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])c1 ZINC000903901749 981029154 /nfs/dbraw/zinc/02/91/54/981029154.db2.gz OWINXPSVAKDQHI-MRXNPFEDSA-N 0 1 376.453 3.288 20 0 GGADMN O=C([O-])c1cncc(C[NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000903917356 981038031 /nfs/dbraw/zinc/03/80/31/981038031.db2.gz VZKOWGJXNWKUPA-UHFFFAOYSA-N 0 1 381.354 3.237 20 0 GGADMN COc1ccc(-c2cnc(C[N@H+]3CC[C@H](c4ncc(C(=O)[O-])s4)C3)o2)cc1 ZINC000903923694 981039452 /nfs/dbraw/zinc/03/94/52/981039452.db2.gz AELCERWNVSJTJO-ZDUSSCGKSA-N 0 1 385.445 3.494 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924035 981040620 /nfs/dbraw/zinc/04/06/20/981040620.db2.gz HASUHFAFQLBONJ-MFKMUULPSA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924034 981040822 /nfs/dbraw/zinc/04/08/22/981040822.db2.gz HASUHFAFQLBONJ-GXFFZTMASA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)s1 ZINC000903925780 981043722 /nfs/dbraw/zinc/04/37/22/981043722.db2.gz WUEZOIVLHJHEAN-MFKMUULPSA-N 0 1 397.294 3.127 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000903926240 981044551 /nfs/dbraw/zinc/04/45/51/981044551.db2.gz AEHSJYDMCOCJKV-WCQYABFASA-N 0 1 386.395 3.383 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4ncc(C(=O)[O-])s4)C3)co2)cc1 ZINC000903926402 981044835 /nfs/dbraw/zinc/04/48/35/981044835.db2.gz CBSGDUAQFMISKT-CYBMUJFWSA-N 0 1 385.445 3.494 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903928762 981048418 /nfs/dbraw/zinc/04/84/18/981048418.db2.gz QNDLZEGYFXHCSZ-SFHVURJKSA-N 0 1 399.834 3.453 20 0 GGADMN CC[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001595431656 981053750 /nfs/dbraw/zinc/05/37/50/981053750.db2.gz BHMDBIHXOMLSLG-ZACQAIPSSA-N 0 1 380.529 3.456 20 0 GGADMN O=C([O-])c1cnc(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)cn1 ZINC000903934011 981054436 /nfs/dbraw/zinc/05/44/36/981054436.db2.gz HGPRIRDHRURRKH-OAHLLOKOSA-N 0 1 376.254 3.144 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)[C@@H]([C@H]2CCCO2)C1 ZINC000903941530 981062068 /nfs/dbraw/zinc/06/20/68/981062068.db2.gz PWIDQFWKPZHBKO-FRFSOERESA-N 0 1 387.398 3.428 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c1 ZINC000903941459 981062270 /nfs/dbraw/zinc/06/22/70/981062270.db2.gz OUDUHQDPNMGMEO-AFAVFJNCSA-N 0 1 398.297 3.302 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2Br)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942417 981065054 /nfs/dbraw/zinc/06/50/54/981065054.db2.gz XASVGKJGCPFEEQ-UNEWFSDZSA-N 0 1 398.297 3.172 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)[C@@H]([C@H]2CCCO2)C1 ZINC000903942740 981066638 /nfs/dbraw/zinc/06/66/38/981066638.db2.gz YFYRCFIZYKETNB-KBRIMQKVSA-N 0 1 387.398 3.428 20 0 GGADMN COc1cc(CN2CC[N@@H+](C)C[C@H]2CC(C)C)c(Br)cc1C(=O)[O-] ZINC000903943363 981067111 /nfs/dbraw/zinc/06/71/11/981067111.db2.gz JBUMQTSURCZBGG-CQSZACIVSA-N 0 1 399.329 3.318 20 0 GGADMN Cn1cc([C@H]2CSCCC[N@@H+]2CCOc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000903946602 981071745 /nfs/dbraw/zinc/07/17/45/981071745.db2.gz KSGSTLNJNYNBGN-MRXNPFEDSA-N 0 1 395.912 3.331 20 0 GGADMN Cn1cc([C@H]2CSCCC[N@H+]2CCOc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000903946602 981071749 /nfs/dbraw/zinc/07/17/49/981071749.db2.gz KSGSTLNJNYNBGN-MRXNPFEDSA-N 0 1 395.912 3.331 20 0 GGADMN C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905372999 981096703 /nfs/dbraw/zinc/09/67/03/981096703.db2.gz TWQHDPXCFGVFSB-DLBZAZTESA-N 0 1 378.266 3.110 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001595448088 981096990 /nfs/dbraw/zinc/09/69/90/981096990.db2.gz MDKHFQHKFLMNRX-YQVWRLOYSA-N 0 1 387.524 3.075 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001595448088 981096995 /nfs/dbraw/zinc/09/69/95/981096995.db2.gz MDKHFQHKFLMNRX-YQVWRLOYSA-N 0 1 387.524 3.075 20 0 GGADMN CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595448661 981099586 /nfs/dbraw/zinc/09/95/86/981099586.db2.gz SSQSMWRNAXTYJS-GFCCVEGCSA-N 0 1 382.482 3.134 20 0 GGADMN C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377391 981099739 /nfs/dbraw/zinc/09/97/39/981099739.db2.gz SDJKAXUHFODRGE-CVEARBPZSA-N 0 1 398.297 3.092 20 0 GGADMN Cc1cc(C)cc([C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(=O)[O-])c1 ZINC000905389472 981108631 /nfs/dbraw/zinc/10/86/31/981108631.db2.gz XAICAJPOLJHMOH-FCHUYYIVSA-N 0 1 382.504 3.310 20 0 GGADMN Cc1cc(C)cc([C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(=O)[O-])c1 ZINC000905389472 981108635 /nfs/dbraw/zinc/10/86/35/981108635.db2.gz XAICAJPOLJHMOH-FCHUYYIVSA-N 0 1 382.504 3.310 20 0 GGADMN Cn1nc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000905401554 981117432 /nfs/dbraw/zinc/11/74/32/981117432.db2.gz JUCRKVSWYCHWCP-GFCCVEGCSA-N 0 1 381.276 3.373 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001595453405 981118899 /nfs/dbraw/zinc/11/88/99/981118899.db2.gz PTZUUGGLRVBZIM-INIZCTEOSA-N 0 1 387.524 3.353 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(F)nc2)C[C@H]1c1ccc(Br)cc1 ZINC000905717877 981121696 /nfs/dbraw/zinc/12/16/96/981121696.db2.gz GLYGNIZIHMMSGS-LSDHHAIUSA-N 0 1 379.229 3.283 20 0 GGADMN Cc1c(Br)cccc1CC[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000905729425 981128417 /nfs/dbraw/zinc/12/84/17/981128417.db2.gz LILWYUHXQWCEKA-UHFFFAOYSA-N 0 1 383.330 3.219 20 0 GGADMN Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905747844 981135001 /nfs/dbraw/zinc/13/50/01/981135001.db2.gz CLJUCLHWBASIQI-ZDUSSCGKSA-N 0 1 386.452 3.464 20 0 GGADMN COc1ccc(-n2cc(C[N@H+]3CC[C@H](c4ncc(C(=O)[O-])s4)C3)cn2)cc1 ZINC000905748365 981136183 /nfs/dbraw/zinc/13/61/83/981136183.db2.gz GLPLAWSTDXZWTF-AWEZNQCLSA-N 0 1 384.461 3.025 20 0 GGADMN C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCO1 ZINC000905749974 981137851 /nfs/dbraw/zinc/13/78/51/981137851.db2.gz PNFNAJDNISFQQH-GOEBONIOSA-N 0 1 387.505 3.056 20 0 GGADMN CN1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccccc2C(=O)[O-])CC1 ZINC000905757816 981144596 /nfs/dbraw/zinc/14/45/96/981144596.db2.gz FAYBLSYTHUQZLG-UHFFFAOYSA-N 0 1 387.911 3.122 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775262 981149269 /nfs/dbraw/zinc/14/92/69/981149269.db2.gz LNJSCGPPKMDOQH-TZMCWYRMSA-N 0 1 395.381 3.337 20 0 GGADMN Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(Br)c3)C2)n1 ZINC000905775293 981149416 /nfs/dbraw/zinc/14/94/16/981149416.db2.gz MOXJOJVYTZEKAF-GFCCVEGCSA-N 0 1 394.269 3.293 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000905795133 981153302 /nfs/dbraw/zinc/15/33/02/981153302.db2.gz NVXPSXAQRXTEMP-IPQPSQTFSA-N 0 1 380.492 3.201 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796801 981154899 /nfs/dbraw/zinc/15/48/99/981154899.db2.gz IMSKXXNSCHXPOY-ROUUACIJSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796801 981154904 /nfs/dbraw/zinc/15/49/04/981154904.db2.gz IMSKXXNSCHXPOY-ROUUACIJSA-N 0 1 380.492 3.203 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C[C@H](C)N1CC(F)(F)F ZINC000905809530 981161655 /nfs/dbraw/zinc/16/16/55/981161655.db2.gz BZAAVZGDOFQMEN-BETUJISGSA-N 0 1 381.398 3.390 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C[C@H](C)N1CC(F)(F)F ZINC000905809530 981161657 /nfs/dbraw/zinc/16/16/57/981161657.db2.gz BZAAVZGDOFQMEN-BETUJISGSA-N 0 1 381.398 3.390 20 0 GGADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C ZINC000906829230 981172203 /nfs/dbraw/zinc/17/22/03/981172203.db2.gz KNWVRRAXKKVQJZ-RVKKMQEKSA-N 0 1 394.537 3.028 20 0 GGADMN CC[C@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001595471774 981175858 /nfs/dbraw/zinc/17/58/58/981175858.db2.gz NALUVSWOAUUXSU-NRFANRHFSA-N 0 1 395.503 3.233 20 0 GGADMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001595482343 981206537 /nfs/dbraw/zinc/20/65/37/981206537.db2.gz HIZDXCDKTGOLLO-GFCCVEGCSA-N 0 1 398.301 3.404 20 0 GGADMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001595482344 981206760 /nfs/dbraw/zinc/20/67/60/981206760.db2.gz HIZDXCDKTGOLLO-LBPRGKRZSA-N 0 1 398.301 3.404 20 0 GGADMN Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000907680947 981206979 /nfs/dbraw/zinc/20/69/79/981206979.db2.gz DSBCMYCCMSEJPV-LNRXMEIDSA-N 0 1 392.499 3.190 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484366 981219524 /nfs/dbraw/zinc/21/95/24/981219524.db2.gz QFUISKOYRFEVNH-DENIHFKCSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484366 981219529 /nfs/dbraw/zinc/21/95/29/981219529.db2.gz QFUISKOYRFEVNH-DENIHFKCSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484366 981219531 /nfs/dbraw/zinc/21/95/31/981219531.db2.gz QFUISKOYRFEVNH-DENIHFKCSA-N 0 1 398.503 3.426 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907798705 981222062 /nfs/dbraw/zinc/22/20/62/981222062.db2.gz IKEXYMLKGULDJY-ZJSXRUAMSA-N 0 1 392.499 3.288 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000907800943 981223860 /nfs/dbraw/zinc/22/38/60/981223860.db2.gz VSRGXUGSHPSXLF-ZRCGQRJVSA-N 0 1 378.472 3.026 20 0 GGADMN CC1(C)CN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000907813434 981226306 /nfs/dbraw/zinc/22/63/06/981226306.db2.gz ZPLVWIXZKQPEOY-HYBUGGRVSA-N 0 1 392.499 3.368 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907822639 981227174 /nfs/dbraw/zinc/22/71/74/981227174.db2.gz NNVLAUKASFGLNH-XZDHIHRUSA-N 0 1 392.499 3.225 20 0 GGADMN C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000907887521 981237484 /nfs/dbraw/zinc/23/74/84/981237484.db2.gz QPYJTJJKBOTXQT-DZFGPLHGSA-N 0 1 380.488 3.272 20 0 GGADMN O=C([O-])CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000907888355 981237707 /nfs/dbraw/zinc/23/77/07/981237707.db2.gz WWTFDVMIKWRMQH-LEWJYISDSA-N 0 1 380.488 3.416 20 0 GGADMN O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000907981443 981249424 /nfs/dbraw/zinc/24/94/24/981249424.db2.gz FQRHJLMDMVMQNM-FQEVSTJZSA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000907981443 981249426 /nfs/dbraw/zinc/24/94/26/981249426.db2.gz FQRHJLMDMVMQNM-FQEVSTJZSA-N 0 1 382.435 3.468 20 0 GGADMN CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000908034493 981256352 /nfs/dbraw/zinc/25/63/52/981256352.db2.gz BDFQIQMNEUWZLZ-NVXWUHKLSA-N 0 1 375.513 3.499 20 0 GGADMN CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000908034490 981256451 /nfs/dbraw/zinc/25/64/51/981256451.db2.gz BDFQIQMNEUWZLZ-DOTOQJQBSA-N 0 1 375.513 3.499 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000908062039 981258371 /nfs/dbraw/zinc/25/83/71/981258371.db2.gz KZZREJMCLYZFHY-FQEVSTJZSA-N 0 1 378.472 3.229 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1)C(C)C ZINC000908114879 981265177 /nfs/dbraw/zinc/26/51/77/981265177.db2.gz QPDVNCFXBDDDTL-QGZVFWFLSA-N 0 1 384.480 3.077 20 0 GGADMN C[NH+](C)[C@H](C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccc(Cl)cc1 ZINC000908176639 981279571 /nfs/dbraw/zinc/27/95/71/981279571.db2.gz MYXDHMZFROEPIJ-VTLRXDCVSA-N 0 1 396.940 3.188 20 0 GGADMN O=C([O-])c1ccc2cc(CCNC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)oc2c1 ZINC000908220565 981282667 /nfs/dbraw/zinc/28/26/67/981282667.db2.gz JPOSWEAGPJUAIU-LJQANCHMSA-N 0 1 392.455 3.312 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(C(F)(F)F)cc1 ZINC000908419745 981315438 /nfs/dbraw/zinc/31/54/38/981315438.db2.gz PQNDMPNGWRAYHG-OWCLPIDISA-N 0 1 384.398 3.354 20 0 GGADMN O=C([O-])/C=C/c1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000908421773 981317180 /nfs/dbraw/zinc/31/71/80/981317180.db2.gz ZSQRANYCFLNOAT-PNKWUNSRSA-N 0 1 394.471 3.408 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000908647333 981332860 /nfs/dbraw/zinc/33/28/60/981332860.db2.gz YWRIIVDQTIFPQH-ROUUACIJSA-N 0 1 386.517 3.335 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000908647332 981332897 /nfs/dbraw/zinc/33/28/97/981332897.db2.gz YWRIIVDQTIFPQH-QZTJIDSGSA-N 0 1 386.517 3.335 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000908647331 981332928 /nfs/dbraw/zinc/33/29/28/981332928.db2.gz YWRIIVDQTIFPQH-MSOLQXFVSA-N 0 1 386.517 3.335 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1Cl ZINC000908686157 981339548 /nfs/dbraw/zinc/33/95/48/981339548.db2.gz XQFQBIGDXUKBQI-GOSISDBHSA-N 0 1 388.851 3.175 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001595529276 981361995 /nfs/dbraw/zinc/36/19/95/981361995.db2.gz JMNVIJQVVCWREH-CXAGYDPISA-N 0 1 386.414 3.459 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595529375 981362804 /nfs/dbraw/zinc/36/28/04/981362804.db2.gz OXJIONSEZIMILX-CXAGYDPISA-N 0 1 386.414 3.459 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529584 981364858 /nfs/dbraw/zinc/36/48/58/981364858.db2.gz ZVVUHQSRHFOPEY-CXAGYDPISA-N 0 1 386.414 3.459 20 0 GGADMN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])CC1 ZINC000908960431 981392667 /nfs/dbraw/zinc/39/26/67/981392667.db2.gz STFURHRQZLIORI-UHFFFAOYSA-N 0 1 392.459 3.122 20 0 GGADMN CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000909010779 981403129 /nfs/dbraw/zinc/40/31/29/981403129.db2.gz WZBLPXMSLOHJSN-IBGZPJMESA-N 0 1 390.524 3.119 20 0 GGADMN CC(C)N1CC[NH+](CCCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC000909121103 981421275 /nfs/dbraw/zinc/42/12/75/981421275.db2.gz APHZGEKOFGRYNY-UHFFFAOYSA-N 0 1 389.521 3.344 20 0 GGADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000909137290 981426125 /nfs/dbraw/zinc/42/61/25/981426125.db2.gz PZVKINOKWHRHGU-IBGZPJMESA-N 0 1 384.451 3.395 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000909159274 981428918 /nfs/dbraw/zinc/42/89/18/981428918.db2.gz KUYWFIZNXBVFEA-LJQANCHMSA-N 0 1 396.487 3.352 20 0 GGADMN Cc1ccc(N2CCC(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)CC2)[nH+]c1 ZINC000909168800 981430615 /nfs/dbraw/zinc/43/06/15/981430615.db2.gz XCXHXKWEYUNLOR-UHFFFAOYSA-N 0 1 383.448 3.017 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000909227806 981437810 /nfs/dbraw/zinc/43/78/10/981437810.db2.gz RBCGBCFIDMUHKH-UHFFFAOYSA-N 0 1 389.477 3.231 20 0 GGADMN C[NH+](C)[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909235445 981439628 /nfs/dbraw/zinc/43/96/28/981439628.db2.gz BGVVILTYHQTRLM-YJBOKZPZSA-N 0 1 392.858 3.142 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)cc1F ZINC000909295662 981462939 /nfs/dbraw/zinc/46/29/39/981462939.db2.gz HNHPZEHBVSLNRR-GCJKJVERSA-N 0 1 398.434 3.001 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000909296931 981464092 /nfs/dbraw/zinc/46/40/92/981464092.db2.gz QQYOCCQFTXPOGP-QUCCMNQESA-N 0 1 395.503 3.478 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000909452593 981495602 /nfs/dbraw/zinc/49/56/02/981495602.db2.gz GSJWIAZKZKBXGC-HXUWFJFHSA-N 0 1 382.435 3.073 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000909452593 981495607 /nfs/dbraw/zinc/49/56/07/981495607.db2.gz GSJWIAZKZKBXGC-HXUWFJFHSA-N 0 1 382.435 3.073 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000909452170 981495640 /nfs/dbraw/zinc/49/56/40/981495640.db2.gz CHVGFXWIPYUGBL-HXUWFJFHSA-N 0 1 378.472 3.182 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000909451767 981495687 /nfs/dbraw/zinc/49/56/87/981495687.db2.gz WTNHOFQWEGAZBG-NRFANRHFSA-N 0 1 378.472 3.324 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000909451768 981495694 /nfs/dbraw/zinc/49/56/94/981495694.db2.gz WTNHOFQWEGAZBG-OAQYLSRUSA-N 0 1 378.472 3.324 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000909490927 981508805 /nfs/dbraw/zinc/50/88/05/981508805.db2.gz MMZCYVRJPAOWCL-UXHICEINSA-N 0 1 386.536 3.291 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001595580642 981519354 /nfs/dbraw/zinc/51/93/54/981519354.db2.gz LFDXTRBCQQJPIA-WBVHZDCISA-N 0 1 383.492 3.450 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518978 981525565 /nfs/dbraw/zinc/52/55/65/981525565.db2.gz FPMNMUTWCADKBM-VQIMIIECSA-N 0 1 381.476 3.196 20 0 GGADMN COCc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC000909625472 981553355 /nfs/dbraw/zinc/55/33/55/981553355.db2.gz ABNZMHKEDDMCEC-SFHVURJKSA-N 0 1 382.460 3.382 20 0 GGADMN COCc1cc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc(C(=O)[O-])c1 ZINC000909626217 981554303 /nfs/dbraw/zinc/55/43/03/981554303.db2.gz GBQOQNVJHHZNLW-UHFFFAOYSA-N 0 1 383.448 3.090 20 0 GGADMN COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000909629556 981557636 /nfs/dbraw/zinc/55/76/36/981557636.db2.gz SYCFWOMQKIAAIZ-GOSISDBHSA-N 0 1 390.867 3.008 20 0 GGADMN O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000909668905 981564785 /nfs/dbraw/zinc/56/47/85/981564785.db2.gz ROSATPOBBCEHIA-OALUTQOASA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000909668905 981564787 /nfs/dbraw/zinc/56/47/87/981564787.db2.gz ROSATPOBBCEHIA-OALUTQOASA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000909669850 981565585 /nfs/dbraw/zinc/56/55/85/981565585.db2.gz IZZFUENSALAGHJ-OCCSQVGLSA-N 0 1 387.402 3.015 20 0 GGADMN C[C@@](CC(=O)[O-])(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000909684742 981571188 /nfs/dbraw/zinc/57/11/88/981571188.db2.gz ZPXOQKSNEYJHFS-BTYIYWSLSA-N 0 1 376.472 3.286 20 0 GGADMN C[C@](CC(=O)[O-])(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000909684748 981571557 /nfs/dbraw/zinc/57/15/57/981571557.db2.gz ZPXOQKSNEYJHFS-YCRPNKLZSA-N 0 1 376.472 3.286 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000909703730 981577012 /nfs/dbraw/zinc/57/70/12/981577012.db2.gz QYBNUPXXHVSVLM-IAGOWNOFSA-N 0 1 378.831 3.066 20 0 GGADMN COc1cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C(=O)[O-] ZINC000909730831 981583959 /nfs/dbraw/zinc/58/39/59/981583959.db2.gz IRCMCTNNSIYBNQ-GASCZTMLSA-N 0 1 398.459 3.255 20 0 GGADMN COc1cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C(=O)[O-] ZINC000909730831 981583962 /nfs/dbraw/zinc/58/39/62/981583962.db2.gz IRCMCTNNSIYBNQ-GASCZTMLSA-N 0 1 398.459 3.255 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000909731831 981585439 /nfs/dbraw/zinc/58/54/39/981585439.db2.gz AYAAESGJRXJHRC-INIZCTEOSA-N 0 1 386.423 3.383 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000909731921 981585465 /nfs/dbraw/zinc/58/54/65/981585465.db2.gz IQGTVYXVMABLRP-GASCZTMLSA-N 0 1 398.459 3.255 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000909731921 981585466 /nfs/dbraw/zinc/58/54/66/981585466.db2.gz IQGTVYXVMABLRP-GASCZTMLSA-N 0 1 398.459 3.255 20 0 GGADMN COc1cc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)ccc1C(=O)[O-] ZINC000909731745 981585545 /nfs/dbraw/zinc/58/55/45/981585545.db2.gz UXQFGUZPQAHRRE-UHFFFAOYSA-N 0 1 389.477 3.009 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000909733119 981586187 /nfs/dbraw/zinc/58/61/87/981586187.db2.gz MXXRSRRLNSGGHD-UHFFFAOYSA-N 0 1 389.477 3.009 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001594740653 981603763 /nfs/dbraw/zinc/60/37/63/981603763.db2.gz PVADHKFPCRLANH-RTWAWAEBSA-N 0 1 395.503 3.186 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC000909779206 981616874 /nfs/dbraw/zinc/61/68/74/981616874.db2.gz JVWWJTUTLUKIQU-KRWDZBQOSA-N 0 1 376.403 3.157 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)CC2)cs1 ZINC000909831811 981649634 /nfs/dbraw/zinc/64/96/34/981649634.db2.gz AXKGQKDDWXTVMR-ZDUSSCGKSA-N 0 1 387.505 3.490 20 0 GGADMN CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)CC2)CC1 ZINC000909833761 981651373 /nfs/dbraw/zinc/65/13/73/981651373.db2.gz KACRBCFLXQYNLV-MRXNPFEDSA-N 0 1 387.524 3.010 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000909836957 981658013 /nfs/dbraw/zinc/65/80/13/981658013.db2.gz VGCZIDJHMWEVMX-BHDDXSALSA-N 0 1 392.499 3.225 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000909838318 981659052 /nfs/dbraw/zinc/65/90/52/981659052.db2.gz BGQKWCFUWHWAMS-QRWLVFNGSA-N 0 1 382.460 3.011 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000909840203 981661182 /nfs/dbraw/zinc/66/11/82/981661182.db2.gz KXHBQMJDAGGYCV-HTAPYJJXSA-N 0 1 388.508 3.267 20 0 GGADMN CC[C@](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000909840701 981661350 /nfs/dbraw/zinc/66/13/50/981661350.db2.gz CUQJFZSBQMMNHM-NFBKMPQASA-N 0 1 398.478 3.339 20 0 GGADMN CC[C@](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000909840701 981661355 /nfs/dbraw/zinc/66/13/55/981661355.db2.gz CUQJFZSBQMMNHM-NFBKMPQASA-N 0 1 398.478 3.339 20 0 GGADMN CC[C@@](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909843468 981665595 /nfs/dbraw/zinc/66/55/95/981665595.db2.gz IEPWQUNSHIJREW-CVDCTZTESA-N 0 1 380.488 3.057 20 0 GGADMN O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000909845435 981670309 /nfs/dbraw/zinc/67/03/09/981670309.db2.gz ATKWGAGPXKTJFB-SFHVURJKSA-N 0 1 384.451 3.346 20 0 GGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619985 981684247 /nfs/dbraw/zinc/68/42/47/981684247.db2.gz SSNUZUZEOXFYQO-GUYCJALGSA-N 0 1 376.453 3.011 20 0 GGADMN CCC[C@@H]1CC(=O)N(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)C1 ZINC001595620095 981685337 /nfs/dbraw/zinc/68/53/37/981685337.db2.gz WSRSEUJHJNBNKE-CQSZACIVSA-N 0 1 397.313 3.332 20 0 GGADMN CCC[C@@H]1CC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)C1 ZINC001595620095 981685343 /nfs/dbraw/zinc/68/53/43/981685343.db2.gz WSRSEUJHJNBNKE-CQSZACIVSA-N 0 1 397.313 3.332 20 0 GGADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595620190 981687085 /nfs/dbraw/zinc/68/70/85/981687085.db2.gz YXUXJBHTBDPQHW-AAEUAGOBSA-N 0 1 396.509 3.380 20 0 GGADMN O=C([O-])c1cccc2c1CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC2 ZINC000909868425 981691326 /nfs/dbraw/zinc/69/13/26/981691326.db2.gz HPIVDRDVDGGMFI-HXUWFJFHSA-N 0 1 396.512 3.060 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C1CC1 ZINC000909902622 981700545 /nfs/dbraw/zinc/70/05/45/981700545.db2.gz HSFRIFVCTKELOE-NZSAHSFTSA-N 0 1 385.508 3.062 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC000909961625 981715199 /nfs/dbraw/zinc/71/51/99/981715199.db2.gz GKXLNXBNZUEFFH-HNNXBMFYSA-N 0 1 386.448 3.161 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001594769676 981731890 /nfs/dbraw/zinc/73/18/90/981731890.db2.gz CKBDFUVZXZVRLS-HIFRSBDPSA-N 0 1 386.286 3.302 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000910043295 981741692 /nfs/dbraw/zinc/74/16/92/981741692.db2.gz RWRCSRJGTZDZNF-OAHLLOKOSA-N 0 1 390.386 3.447 20 0 GGADMN CCC[C@@H]1CN(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC[N@H+]1Cc1ccccc1 ZINC001595625071 981742098 /nfs/dbraw/zinc/74/20/98/981742098.db2.gz NZRGUDZIRACYEH-GOSISDBHSA-N 0 1 383.492 3.191 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595625046 981742499 /nfs/dbraw/zinc/74/24/99/981742499.db2.gz NMGBWSGFHOSYSX-GOSISDBHSA-N 0 1 383.492 3.456 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001595625160 981744508 /nfs/dbraw/zinc/74/45/08/981744508.db2.gz QTJJXXQUINZELT-OAQYLSRUSA-N 0 1 395.503 3.310 20 0 GGADMN CCC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC[N@H+]1CCOC ZINC001595625694 981751207 /nfs/dbraw/zinc/75/12/07/981751207.db2.gz YECDPNNXUXYWOU-DLBZAZTESA-N 0 1 399.329 3.008 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000910070014 981752619 /nfs/dbraw/zinc/75/26/19/981752619.db2.gz FOUKUGOLZQQSEX-IBGZPJMESA-N 0 1 378.472 3.182 20 0 GGADMN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)CC1CC1 ZINC001594778011 981771611 /nfs/dbraw/zinc/77/16/11/981771611.db2.gz HLMLCXICXKWOJR-LJQANCHMSA-N 0 1 398.887 3.261 20 0 GGADMN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1ccc(Br)cc1)CC1CC1 ZINC001594778203 981773852 /nfs/dbraw/zinc/77/38/52/981773852.db2.gz KMVLKCVJJZIFOP-QGZVFWFLSA-N 0 1 383.286 3.353 20 0 GGADMN O=C([O-])Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000910194209 981778600 /nfs/dbraw/zinc/77/86/00/981778600.db2.gz ZCOASUUQAQNVHG-HXUWFJFHSA-N 0 1 384.451 3.124 20 0 GGADMN O=C([O-])Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000910194209 981778607 /nfs/dbraw/zinc/77/86/07/981778607.db2.gz ZCOASUUQAQNVHG-HXUWFJFHSA-N 0 1 384.451 3.124 20 0 GGADMN O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000910196133 981780551 /nfs/dbraw/zinc/78/05/51/981780551.db2.gz MHAWQRWZOHMRDM-LJQANCHMSA-N 0 1 395.503 3.437 20 0 GGADMN O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)s1 ZINC000910213998 981788542 /nfs/dbraw/zinc/78/85/42/981788542.db2.gz QMRAVAZYHMKJIY-MRXNPFEDSA-N 0 1 391.537 3.344 20 0 GGADMN C[C@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000910226749 981791476 /nfs/dbraw/zinc/79/14/76/981791476.db2.gz BHPDQRHGPXTPIA-KGLIPLIRSA-N 0 1 386.423 3.063 20 0 GGADMN C[C@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000910226749 981791481 /nfs/dbraw/zinc/79/14/81/981791481.db2.gz BHPDQRHGPXTPIA-KGLIPLIRSA-N 0 1 386.423 3.063 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000910235567 981800191 /nfs/dbraw/zinc/80/01/91/981800191.db2.gz IQWZVFFTMBFQNQ-RBUKOAKNSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000910235567 981800206 /nfs/dbraw/zinc/80/02/06/981800206.db2.gz IQWZVFFTMBFQNQ-RBUKOAKNSA-N 0 1 376.472 3.187 20 0 GGADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCC1(NC(=O)OC(C)(C)C)CCOCC1)CC1CC1 ZINC001594787584 981824139 /nfs/dbraw/zinc/82/41/39/981824139.db2.gz INNCMJSVBRTYHF-HXUWFJFHSA-N 0 1 398.544 3.416 20 0 GGADMN COc1cc(OC)cc([C@H](Nc2ccc(C(=O)[O-])c(C)[nH+]2)c2nccn2C)c1 ZINC000910277212 981838933 /nfs/dbraw/zinc/83/89/33/981838933.db2.gz TUKUCPVJGSMJIY-SFHVURJKSA-N 0 1 382.420 3.040 20 0 GGADMN C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000910315847 981869529 /nfs/dbraw/zinc/86/95/29/981869529.db2.gz SMIICIAZHODODL-HRAATJIYSA-N 0 1 392.927 3.497 20 0 GGADMN CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1 ZINC001594809750 981930093 /nfs/dbraw/zinc/93/00/93/981930093.db2.gz OAZZCVGDYTWSKI-QMMMGPOBSA-N 0 1 397.273 3.129 20 0 GGADMN CCCC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)C(=O)Nc1cc(C)on1 ZINC001595638042 981938949 /nfs/dbraw/zinc/93/89/49/981938949.db2.gz DFBJXWIYXFXGRO-CYBMUJFWSA-N 0 1 380.832 3.017 20 0 GGADMN Cc1nc2scc(CC(C)C)c2c(N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)n1 ZINC000910455850 981941141 /nfs/dbraw/zinc/94/11/41/981941141.db2.gz JVAOSIRWJJGIFF-ZDUSSCGKSA-N 0 1 376.526 3.183 20 0 GGADMN Cc1nc2sc3c(c2c(N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)n1)CC[C@H](C)C3 ZINC000910459348 981943458 /nfs/dbraw/zinc/94/34/58/981943458.db2.gz YEZADTRTEIPFAP-QWHCGFSZSA-N 0 1 388.537 3.110 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc21 ZINC000910471202 981950483 /nfs/dbraw/zinc/95/04/83/981950483.db2.gz AGBIXUWHHUTIPD-DQLDELGASA-N 0 1 396.462 3.467 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000910472194 981951333 /nfs/dbraw/zinc/95/13/33/981951333.db2.gz KGEWHGGRZAURIJ-WMQCIHAUSA-N 0 1 378.472 3.328 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000910500132 981965997 /nfs/dbraw/zinc/96/59/97/981965997.db2.gz KFRWNGKUNLHILH-FQEVSTJZSA-N 0 1 396.462 3.321 20 0 GGADMN C[C@@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910511235 981977673 /nfs/dbraw/zinc/97/76/73/981977673.db2.gz AFONOWUOJFLOFA-XXBNENTESA-N 0 1 398.478 3.240 20 0 GGADMN C[C@](Cc1ccc(F)cc1)(NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910511234 981977756 /nfs/dbraw/zinc/97/77/56/981977756.db2.gz AFONOWUOJFLOFA-WMZHIEFXSA-N 0 1 398.478 3.240 20 0 GGADMN C[C@@](Cc1ccc(F)cc1)(NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910511233 981977770 /nfs/dbraw/zinc/97/77/70/981977770.db2.gz AFONOWUOJFLOFA-CVDCTZTESA-N 0 1 398.478 3.240 20 0 GGADMN O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910579792 982000351 /nfs/dbraw/zinc/00/03/51/982000351.db2.gz LCZLGLNETXNCRK-QUCCMNQESA-N 0 1 392.455 3.067 20 0 GGADMN CC[C@](C)(NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001594834991 982026577 /nfs/dbraw/zinc/02/65/77/982026577.db2.gz CSIYCBBYQDUYHE-UGKGYDQZSA-N 0 1 386.467 3.396 20 0 GGADMN CCCC[C@@H](SCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(=O)[O-] ZINC001595655631 982046757 /nfs/dbraw/zinc/04/67/57/982046757.db2.gz NMFVOMJJKQBBBY-FUHWJXTLSA-N 0 1 378.538 3.268 20 0 GGADMN O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC000910678809 982053852 /nfs/dbraw/zinc/05/38/52/982053852.db2.gz YQXLCMHBKKLSFL-CVEARBPZSA-N 0 1 399.516 3.183 20 0 GGADMN O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)(CC1)CC2 ZINC000910687325 982063682 /nfs/dbraw/zinc/06/36/82/982063682.db2.gz JMIVLLMNJWCQLU-MGAZVUHYSA-N 0 1 382.504 3.002 20 0 GGADMN Cc1sc([C@H]2CCCN2C(=O)CC[N@H+](C)C2CCCCC2)nc1C(=O)[O-] ZINC000910716554 982078751 /nfs/dbraw/zinc/07/87/51/982078751.db2.gz CYQFZDHCFIZVOV-OAHLLOKOSA-N 0 1 379.526 3.468 20 0 GGADMN Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)nc1C(=O)[O-] ZINC000910719510 982081708 /nfs/dbraw/zinc/08/17/08/982081708.db2.gz WDNLOGDMSXYBHA-HOCLYGCPSA-N 0 1 391.537 3.468 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910719785 982081754 /nfs/dbraw/zinc/08/17/54/982081754.db2.gz XTUPXLBDHWXGPK-DGCLKSJQSA-N 0 1 376.482 3.223 20 0 GGADMN CC[C@](C)(O)C[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1 ZINC001594858083 982124162 /nfs/dbraw/zinc/12/41/62/982124162.db2.gz AQCUEJKONNODBV-QFIPXVFZSA-N 0 1 384.476 3.011 20 0 GGADMN CC[C@@](C)(O)C[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccccc1 ZINC001594859142 982128235 /nfs/dbraw/zinc/12/82/35/982128235.db2.gz LVMKVCXEKVYLPX-JOCHJYFZSA-N 0 1 384.476 3.295 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910830851 982142938 /nfs/dbraw/zinc/14/29/38/982142938.db2.gz SVSRJPGGUKFYLX-MRXNPFEDSA-N 0 1 376.497 3.171 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NCCc2ncc(C(=O)[O-])s2)cc1)C(C)C ZINC000910999425 982188923 /nfs/dbraw/zinc/18/89/23/982188923.db2.gz HIXQVKKADRAVOX-UHFFFAOYSA-N 0 1 375.494 3.044 20 0 GGADMN CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872826 982189620 /nfs/dbraw/zinc/18/96/20/982189620.db2.gz GGNJLWWKIOFLCV-MSQAHXEGSA-N 0 1 398.297 3.137 20 0 GGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001594873279 982192956 /nfs/dbraw/zinc/19/29/56/982192956.db2.gz LPPVEMSUWSDECQ-DANNLKNASA-N 0 1 398.297 3.137 20 0 GGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001594878590 982224500 /nfs/dbraw/zinc/22/45/00/982224500.db2.gz WBBITKIONAMVOV-WUHRBBMRSA-N 0 1 382.423 3.263 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595696455 982228655 /nfs/dbraw/zinc/22/86/55/982228655.db2.gz IWAUPDXTUZEVHJ-FQEVSTJZSA-N 0 1 386.533 3.104 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1)C(=O)[O-] ZINC001595696441 982229152 /nfs/dbraw/zinc/22/91/52/982229152.db2.gz IMBIBSZXYODLQK-VXKWHMMOSA-N 0 1 389.492 3.273 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000911083292 982230359 /nfs/dbraw/zinc/23/03/59/982230359.db2.gz SVMBQIQATAXGDZ-MRXNPFEDSA-N 0 1 384.501 3.210 20 0 GGADMN CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC001594880887 982232249 /nfs/dbraw/zinc/23/22/49/982232249.db2.gz GPSDCCONOFRYDH-STQMWFEESA-N 0 1 376.453 3.009 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696907 982235104 /nfs/dbraw/zinc/23/51/04/982235104.db2.gz MEVDTYDYVCCLDX-QINHECLXSA-N 0 1 386.533 3.008 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001595696883 982235169 /nfs/dbraw/zinc/23/51/69/982235169.db2.gz FIQZYPYSGQZWDV-LFNLJPBCSA-N 0 1 398.544 3.294 20 0 GGADMN O=C([O-])C1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC2(CCC2)C1 ZINC000911135497 982254246 /nfs/dbraw/zinc/25/42/46/982254246.db2.gz GNOOAYCIQLXJIY-UHFFFAOYSA-N 0 1 390.911 3.409 20 0 GGADMN O=C([O-])C1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC2(CCC2)C1 ZINC000911135497 982254251 /nfs/dbraw/zinc/25/42/51/982254251.db2.gz GNOOAYCIQLXJIY-UHFFFAOYSA-N 0 1 390.911 3.409 20 0 GGADMN O=C([O-])CSCCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000911152386 982262560 /nfs/dbraw/zinc/26/25/60/982262560.db2.gz SOFSGJRSKKFLLU-UHFFFAOYSA-N 0 1 396.512 3.109 20 0 GGADMN CC(C)[NH+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000911168210 982264986 /nfs/dbraw/zinc/26/49/86/982264986.db2.gz OVKQVRSOSZMHST-UHFFFAOYSA-N 0 1 388.489 3.436 20 0 GGADMN CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911167427 982265348 /nfs/dbraw/zinc/26/53/48/982265348.db2.gz SPLPWSYERLTMHA-QGZVFWFLSA-N 0 1 391.471 3.142 20 0 GGADMN CN1CC[NH+](Cc2ccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)cc2)CC1 ZINC000911175364 982266666 /nfs/dbraw/zinc/26/66/66/982266666.db2.gz DEXJHZKSRIHJEC-UHFFFAOYSA-N 0 1 387.867 3.038 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(C(=O)[O-])cc3)cc2)C1 ZINC000911176346 982267546 /nfs/dbraw/zinc/26/75/46/982267546.db2.gz KKEHVAVVZTWGLD-QGZVFWFLSA-N 0 1 380.488 3.476 20 0 GGADMN CCCCCC[C@](O)(C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1)C(=O)[O-] ZINC001595703550 982269480 /nfs/dbraw/zinc/26/94/80/982269480.db2.gz UVXPCYUFFDDBBL-NRFANRHFSA-N 0 1 389.471 3.156 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1)C(=O)[O-] ZINC001595703550 982269484 /nfs/dbraw/zinc/26/94/84/982269484.db2.gz UVXPCYUFFDDBBL-NRFANRHFSA-N 0 1 389.471 3.156 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C(C)C)C(=O)[O-] ZINC001594887291 982271098 /nfs/dbraw/zinc/27/10/98/982271098.db2.gz MDECBKGAQDUJCF-SUMWQHHRSA-N 0 1 399.329 3.275 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C(C)C)C(=O)[O-] ZINC001594887288 982271190 /nfs/dbraw/zinc/27/11/90/982271190.db2.gz MDECBKGAQDUJCF-CXAGYDPISA-N 0 1 399.329 3.275 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000911190135 982275503 /nfs/dbraw/zinc/27/55/03/982275503.db2.gz DROVAWKTFABDLQ-ANGAQGJPSA-N 0 1 398.459 3.343 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000911190657 982275577 /nfs/dbraw/zinc/27/55/77/982275577.db2.gz IKIQFZUOHPVHCL-MRXNPFEDSA-N 0 1 390.867 3.435 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)/C=C/c2cc(C(=O)[O-])co2)C[C@@H](C)O1 ZINC000911204659 982282971 /nfs/dbraw/zinc/28/29/71/982282971.db2.gz CQMFFSPVUAEVHT-FHFZEBMASA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)/C=C\c2cc(C(=O)[O-])co2)C[C@H](C)O1 ZINC000911204661 982283242 /nfs/dbraw/zinc/28/32/42/982283242.db2.gz CQMFFSPVUAEVHT-ZMWOBVFASA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)/C=C\c2cc(C(=O)[O-])co2)C[C@H](C)O1 ZINC000911204661 982283247 /nfs/dbraw/zinc/28/32/47/982283247.db2.gz CQMFFSPVUAEVHT-ZMWOBVFASA-N 0 1 384.432 3.239 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1)C(=O)[O-] ZINC001594889934 982284743 /nfs/dbraw/zinc/28/47/43/982284743.db2.gz GHKWDIAZVKVDGR-DYVFJYSZSA-N 0 1 395.569 3.236 20 0 GGADMN O=C([O-])c1coc(/C=C/C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000911225992 982297785 /nfs/dbraw/zinc/29/77/85/982297785.db2.gz ABXJUHDNBVWBMQ-DUXPYHPUSA-N 0 1 390.386 3.050 20 0 GGADMN CCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000911229988 982303102 /nfs/dbraw/zinc/30/31/02/982303102.db2.gz YGKZNGBEVZLLHP-GOSISDBHSA-N 0 1 381.476 3.297 20 0 GGADMN 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VHCMSGOTUATQNO-RBUKOAKNSA-N 0 1 397.523 3.121 20 0 GGADMN CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595912599 983008427 /nfs/dbraw/zinc/00/84/27/983008427.db2.gz WSVGKJWKADDNMS-NSHDSACASA-N 0 1 384.274 3.143 20 0 GGADMN C[N@H+](CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])Cc1ccccc1 ZINC001119639883 983009600 /nfs/dbraw/zinc/00/96/00/983009600.db2.gz GKICRCKPOWOLBG-OAQYLSRUSA-N 0 1 390.483 3.331 20 0 GGADMN C[N@@H+](CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])Cc1ccccc1 ZINC001119639883 983009606 /nfs/dbraw/zinc/00/96/06/983009606.db2.gz GKICRCKPOWOLBG-OAQYLSRUSA-N 0 1 390.483 3.331 20 0 GGADMN O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)ccc12 ZINC001119644804 983012172 /nfs/dbraw/zinc/01/21/72/983012172.db2.gz LTACANOTGTZBKE-IBGZPJMESA-N 0 1 378.432 3.254 20 0 GGADMN O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)ccc12 ZINC001119644804 983012182 /nfs/dbraw/zinc/01/21/82/983012182.db2.gz LTACANOTGTZBKE-IBGZPJMESA-N 0 1 378.432 3.254 20 0 GGADMN CCCNC(=O)C1([NH2+]Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CCCCC1 ZINC001595916428 983024695 /nfs/dbraw/zinc/02/46/95/983024695.db2.gz TXYCQEYYNXSAOF-UHFFFAOYSA-N 0 1 385.464 3.359 20 0 GGADMN CCC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001595997058 983252125 /nfs/dbraw/zinc/25/21/25/983252125.db2.gz CWFMTIZJMLVNOC-PQNGQFLHSA-N 0 1 394.515 3.446 20 0 GGADMN CCCc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596036823 983315160 /nfs/dbraw/zinc/31/51/60/983315160.db2.gz PZICXAYWQBSLDL-IRXDYDNUSA-N 0 1 381.476 3.073 20 0 GGADMN CCN(C(=O)C[N@H+]1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1cccc2ccccc21 ZINC001596139691 983490701 /nfs/dbraw/zinc/49/07/01/983490701.db2.gz CNPISJBZGBCADL-PSOYPTMXSA-N 0 1 396.487 3.288 20 0 GGADMN CCN(C(=O)C[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1)[C@@H](C)c1ccc(F)cc1 ZINC001596142757 983494943 /nfs/dbraw/zinc/49/49/43/983494943.db2.gz DXSVSPXRQCUHES-HNNXBMFYSA-N 0 1 384.451 3.492 20 0 GGADMN CCN(C(=O)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)[C@@H](C)c1ccc(F)cc1 ZINC001596142757 983494945 /nfs/dbraw/zinc/49/49/45/983494945.db2.gz DXSVSPXRQCUHES-HNNXBMFYSA-N 0 1 384.451 3.492 20 0 GGADMN CCN(C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596150606 983510568 /nfs/dbraw/zinc/51/05/68/983510568.db2.gz LQVVPUSSMJVWQO-JRAOJMNRSA-N 0 1 399.535 3.353 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC001596150783 983511053 /nfs/dbraw/zinc/51/10/53/983511053.db2.gz OMJMGVSASOMOBB-NSHDSACASA-N 0 1 384.274 3.014 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])ccn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001596151396 983512252 /nfs/dbraw/zinc/51/22/52/983512252.db2.gz WKGQHQCXUPLLDR-YJBOKZPZSA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596157662 983518776 /nfs/dbraw/zinc/51/87/76/983518776.db2.gz CQNAHXQITCIFII-IBGZPJMESA-N 0 1 397.475 3.278 20 0 GGADMN CCN(C(=O)c1ccccc1CCC(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596171087 983536757 /nfs/dbraw/zinc/53/67/57/983536757.db2.gz USKHXLYTKDQHJU-FQEVSTJZSA-N 0 1 380.488 3.440 20 0 GGADMN CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001596187638 983560431 /nfs/dbraw/zinc/56/04/31/983560431.db2.gz ZEKYNWAOVNLQFK-HNNXBMFYSA-N 0 1 398.887 3.360 20 0 GGADMN CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001596187638 983560434 /nfs/dbraw/zinc/56/04/34/983560434.db2.gz ZEKYNWAOVNLQFK-HNNXBMFYSA-N 0 1 398.887 3.360 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001596192659 983569761 /nfs/dbraw/zinc/56/97/61/983569761.db2.gz YWCCCIJVJDKQOC-WBVHZDCISA-N 0 1 387.505 3.240 20 0 GGADMN CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)ccn1 ZINC001596192893 983571031 /nfs/dbraw/zinc/57/10/31/983571031.db2.gz CLWRSUGWWXWBPI-GOSISDBHSA-N 0 1 387.455 3.024 20 0 GGADMN CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)ccn1 ZINC001596192893 983571033 /nfs/dbraw/zinc/57/10/33/983571033.db2.gz CLWRSUGWWXWBPI-GOSISDBHSA-N 0 1 387.455 3.024 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)c1 ZINC001596193007 983572191 /nfs/dbraw/zinc/57/21/91/983572191.db2.gz HIQLAGCIBNIULB-UHFFFAOYSA-N 0 1 376.844 3.207 20 0 GGADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC001596201919 983586964 /nfs/dbraw/zinc/58/69/64/983586964.db2.gz KYJBRVXODFFPLA-HRAATJIYSA-N 0 1 396.487 3.116 20 0 GGADMN CC[N@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1cccc(Br)c1 ZINC001596203474 983590633 /nfs/dbraw/zinc/59/06/33/983590633.db2.gz KBLNTNAXOUCILI-UHFFFAOYSA-N 0 1 397.313 3.175 20 0 GGADMN CC[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1cccc(Br)c1 ZINC001596203474 983590635 /nfs/dbraw/zinc/59/06/35/983590635.db2.gz KBLNTNAXOUCILI-UHFFFAOYSA-N 0 1 397.313 3.175 20 0 GGADMN CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001596208363 983598249 /nfs/dbraw/zinc/59/82/49/983598249.db2.gz RSDLAIUOHHLAKP-UHFFFAOYSA-N 0 1 398.459 3.249 20 0 GGADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001596208363 983598250 /nfs/dbraw/zinc/59/82/50/983598250.db2.gz RSDLAIUOHHLAKP-UHFFFAOYSA-N 0 1 398.459 3.249 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CCCCC1 ZINC001596211805 983602517 /nfs/dbraw/zinc/60/25/17/983602517.db2.gz ALAHQHSGSRGFJA-UHFFFAOYSA-N 0 1 382.482 3.134 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001596212355 983603448 /nfs/dbraw/zinc/60/34/48/983603448.db2.gz KFINPVVDKKLPQC-WCQYABFASA-N 0 1 396.509 3.380 20 0 GGADMN CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)C[C@H](O)c1ccc(C)cc1 ZINC001596228088 983619003 /nfs/dbraw/zinc/61/90/03/983619003.db2.gz DEKPAVJSMANGEW-FQEVSTJZSA-N 0 1 380.444 3.413 20 0 GGADMN CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)C[C@H](O)c1ccc(C)cc1 ZINC001596228088 983619007 /nfs/dbraw/zinc/61/90/07/983619007.db2.gz DEKPAVJSMANGEW-FQEVSTJZSA-N 0 1 380.444 3.413 20 0 GGADMN CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)C[C@@H](O)c1ccc(C)cc1 ZINC001596228089 983619088 /nfs/dbraw/zinc/61/90/88/983619088.db2.gz DEKPAVJSMANGEW-HXUWFJFHSA-N 0 1 380.444 3.413 20 0 GGADMN CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)C[C@@H](O)c1ccc(C)cc1 ZINC001596228089 983619092 /nfs/dbraw/zinc/61/90/92/983619092.db2.gz DEKPAVJSMANGEW-HXUWFJFHSA-N 0 1 380.444 3.413 20 0 GGADMN CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001596228955 983620925 /nfs/dbraw/zinc/62/09/25/983620925.db2.gz YONUEBPHYKSCAJ-FUHWJXTLSA-N 0 1 383.492 3.361 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001596236184 983630308 /nfs/dbraw/zinc/63/03/08/983630308.db2.gz QTYCSPNYQSSPCX-QWRGUYRKSA-N 0 1 393.431 3.025 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001596236184 983630310 /nfs/dbraw/zinc/63/03/10/983630310.db2.gz QTYCSPNYQSSPCX-QWRGUYRKSA-N 0 1 393.431 3.025 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001596236493 983631536 /nfs/dbraw/zinc/63/15/36/983631536.db2.gz YFLIWDDIABOSJH-HNNXBMFYSA-N 0 1 386.414 3.316 20 0 GGADMN CC[NH+](CC)[C@H](C(=O)Nc1cc(C(=O)[O-])nn1C)c1cccc(C(F)(F)F)c1 ZINC001596253672 983657808 /nfs/dbraw/zinc/65/78/08/983657808.db2.gz FJYPIZGYAYKZQH-HNNXBMFYSA-N 0 1 398.385 3.159 20 0 GGADMN CC[NH+](CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001596254020 983660321 /nfs/dbraw/zinc/66/03/21/983660321.db2.gz XDNVISGKVSNUSE-CQSZACIVSA-N 0 1 385.342 3.413 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596303449 983730019 /nfs/dbraw/zinc/73/00/19/983730019.db2.gz FLFIHJYHIIJJOZ-UHFFFAOYSA-N 0 1 382.460 3.431 20 0 GGADMN CC[N@@H+](CCC(=O)[O-])CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001596314428 983743234 /nfs/dbraw/zinc/74/32/34/983743234.db2.gz QQCRAQBVTMBNSY-LJQANCHMSA-N 0 1 393.487 3.213 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1)CC1CC1 ZINC001596320880 983752381 /nfs/dbraw/zinc/75/23/81/983752381.db2.gz QQKQADXWJPQYDP-RBUKOAKNSA-N 0 1 379.545 3.173 20 0 GGADMN CC[N@@H+](CCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)CCC(F)(F)F ZINC001596334376 983776081 /nfs/dbraw/zinc/77/60/81/983776081.db2.gz GNLKHXYRQYLELN-UHFFFAOYSA-N 0 1 389.418 3.445 20 0 GGADMN CC[N@@H+](CCNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C(C)C ZINC001596334390 983776192 /nfs/dbraw/zinc/77/61/92/983776192.db2.gz HNTQXZXKFGWGDT-UHFFFAOYSA-N 0 1 386.452 3.424 20 0 GGADMN CC[N@@H+](CCNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)C(C)C ZINC001596334661 983777537 /nfs/dbraw/zinc/77/75/37/983777537.db2.gz QOOPHIDNXJQMGS-UHFFFAOYSA-N 0 1 390.509 3.038 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@]2(COC)C(=O)[O-])cc1)C(C)C ZINC001596355731 983821202 /nfs/dbraw/zinc/82/12/02/983821202.db2.gz AWCHLMVCCIMYIJ-NRFANRHFSA-N 0 1 376.497 3.013 20 0 GGADMN CC[N@H+](Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1)C[C@@H]1CCOC1 ZINC001596363316 983844441 /nfs/dbraw/zinc/84/44/41/983844441.db2.gz YPQQHZLMHYNVOL-INIZCTEOSA-N 0 1 389.448 3.424 20 0 GGADMN CC[N@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001596377829 983889501 /nfs/dbraw/zinc/88/95/01/983889501.db2.gz IUBYCUPQEBLFLD-INIZCTEOSA-N 0 1 397.397 3.498 20 0 GGADMN CC[N@@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001596377829 983889504 /nfs/dbraw/zinc/88/95/04/983889504.db2.gz IUBYCUPQEBLFLD-INIZCTEOSA-N 0 1 397.397 3.498 20 0 GGADMN CC[N@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001596377830 983890528 /nfs/dbraw/zinc/89/05/28/983890528.db2.gz IUBYCUPQEBLFLD-MRXNPFEDSA-N 0 1 397.397 3.498 20 0 GGADMN CC[N@@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001596377830 983890537 /nfs/dbraw/zinc/89/05/37/983890537.db2.gz IUBYCUPQEBLFLD-MRXNPFEDSA-N 0 1 397.397 3.498 20 0 GGADMN CC[N@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001596378126 983893066 /nfs/dbraw/zinc/89/30/66/983893066.db2.gz MVGQTCNKSZVUND-CQSZACIVSA-N 0 1 388.468 3.092 20 0 GGADMN CC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001596378126 983893072 /nfs/dbraw/zinc/89/30/72/983893072.db2.gz MVGQTCNKSZVUND-CQSZACIVSA-N 0 1 388.468 3.092 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)C[C@H]1C ZINC001596396087 983939667 /nfs/dbraw/zinc/93/96/67/983939667.db2.gz NPHJOVVZCRPDOC-GHMZBOCLSA-N 0 1 398.301 3.402 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)C[C@@H]1C ZINC001596396089 983939905 /nfs/dbraw/zinc/93/99/05/983939905.db2.gz NPHJOVVZCRPDOC-QWRGUYRKSA-N 0 1 398.301 3.402 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)cc2C(=O)[O-])C[C@@H]1C ZINC001596403496 983965228 /nfs/dbraw/zinc/96/52/28/983965228.db2.gz JGXTZBNAVACWCP-AAEUAGOBSA-N 0 1 398.301 3.484 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)cc2C(=O)[O-])C[C@@H]1C ZINC001596403500 983965438 /nfs/dbraw/zinc/96/54/38/983965438.db2.gz JGXTZBNAVACWCP-WCQYABFASA-N 0 1 398.301 3.484 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)C[C@H]1C ZINC001596403960 983970566 /nfs/dbraw/zinc/97/05/66/983970566.db2.gz OWAQUFPXYBIQMX-WBVHZDCISA-N 0 1 399.495 3.215 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@@H]1C ZINC001596407221 983976122 /nfs/dbraw/zinc/97/61/22/983976122.db2.gz BGXCUAWMIXPFTA-WMLDXEAASA-N 0 1 390.505 3.031 20 0 GGADMN CCN(C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C)[C@H]1CC[N@@H+](CC)C1 ZINC001596407848 983981029 /nfs/dbraw/zinc/98/10/29/983981029.db2.gz JOCMOSJJZNFBGA-ZDUSSCGKSA-N 0 1 398.301 3.404 20 0 GGADMN CCN(C(=O)Nc1cccc(C(=O)[O-])c1Br)[C@H]1CC[N@@H+](CC)C1 ZINC001596408503 983983840 /nfs/dbraw/zinc/98/38/40/983983840.db2.gz NJUQYWDLQAVRIN-NSHDSACASA-N 0 1 384.274 3.095 20 0 GGADMN CCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC001596408574 983985550 /nfs/dbraw/zinc/98/55/50/983985550.db2.gz PTAQOAZUCFATHH-LBPRGKRZSA-N 0 1 384.274 3.095 20 0 GGADMN CC[N@H+]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)C1 ZINC001596436648 984123245 /nfs/dbraw/zinc/12/32/45/984123245.db2.gz YGJQNESTQXGBOI-GFCCVEGCSA-N 0 1 397.306 3.403 20 0 GGADMN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1C(=O)[O-] ZINC001596456751 984164498 /nfs/dbraw/zinc/16/44/98/984164498.db2.gz ABMYIQINQOEVHH-CQSZACIVSA-N 0 1 383.286 3.028 20 0 GGADMN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1Br ZINC001596473412 984200984 /nfs/dbraw/zinc/20/09/84/984200984.db2.gz QEGRKTGSXUBUQZ-AWEZNQCLSA-N 0 1 399.285 3.248 20 0 GGADMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Br ZINC001596473412 984200993 /nfs/dbraw/zinc/20/09/93/984200993.db2.gz QEGRKTGSXUBUQZ-AWEZNQCLSA-N 0 1 399.285 3.248 20 0 GGADMN CCOC(=O)CC(C)(C)C[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001596587532 984521861 /nfs/dbraw/zinc/52/18/61/984521861.db2.gz HKZUSDKTSJEUOI-GOSISDBHSA-N 0 1 396.915 3.063 20 0 GGADMN CCOC(=O)CC[N@H+](Cc1cc(C(=O)[O-])ccc1Br)CC1CC1 ZINC001596610344 984573765 /nfs/dbraw/zinc/57/37/65/984573765.db2.gz NBHSNGRTSHXBIO-UHFFFAOYSA-N 0 1 384.270 3.313 20 0 GGADMN C/C(=C\C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccccc1C(F)(F)F ZINC001588937638 984617803 /nfs/dbraw/zinc/61/78/03/984617803.db2.gz NQKAKTTZHRZWQR-YPDDLIOESA-N 0 1 384.398 3.116 20 0 GGADMN CCOC(=O)N1CCC(C)(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])CC1 ZINC001596644290 984649724 /nfs/dbraw/zinc/64/97/24/984649724.db2.gz KDJKWBPPEREADT-QGZVFWFLSA-N 0 1 376.497 3.468 20 0 GGADMN CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001596644310 984649832 /nfs/dbraw/zinc/64/98/32/984649832.db2.gz KNSBQLWOSNBCDE-CQSZACIVSA-N 0 1 395.525 3.279 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@](C)(C(=O)[O-])C3)cc(=O)oc2c1 ZINC001596667234 984733296 /nfs/dbraw/zinc/73/32/96/984733296.db2.gz VBUOLNHSOLHHJS-HXUWFJFHSA-N 0 1 388.420 3.048 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C)C[C@@H]3C(=O)[O-])cc(=O)oc2c1 ZINC001596667171 984733527 /nfs/dbraw/zinc/73/35/27/984733527.db2.gz SXPLOBAHKMCYJI-BLLLJJGKSA-N 0 1 388.420 3.047 20 0 GGADMN CCOC(=O)[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC001596683069 984772815 /nfs/dbraw/zinc/77/28/15/984772815.db2.gz FLHRFBVQGRRPAN-UPJWGTAASA-N 0 1 379.762 3.139 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1C ZINC001596690753 984796412 /nfs/dbraw/zinc/79/64/12/984796412.db2.gz PLECGKSPGSVRIF-UHFFFAOYSA-N 0 1 380.485 3.060 20 0 GGADMN CCOC(=O)c1c(C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)occ1C(F)(F)F ZINC001596694922 984824795 /nfs/dbraw/zinc/82/47/95/984824795.db2.gz REYPAXLGDVAJON-WBMJQRKESA-N 0 1 375.343 3.304 20 0 GGADMN CCOC(=O)c1c(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)occ1C(F)(F)F ZINC001596694922 984824813 /nfs/dbraw/zinc/82/48/13/984824813.db2.gz REYPAXLGDVAJON-WBMJQRKESA-N 0 1 375.343 3.304 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)c2csc(C(=O)[O-])n2)C1 ZINC001599905437 984916440 /nfs/dbraw/zinc/91/64/40/984916440.db2.gz KYAUMZLWEKXJAN-XIKOKIGWSA-N 0 1 378.425 3.173 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)c2csc(C(=O)[O-])n2)C1 ZINC001599905436 984916457 /nfs/dbraw/zinc/91/64/57/984916457.db2.gz KYAUMZLWEKXJAN-KZULUSFZSA-N 0 1 378.425 3.173 20 0 GGADMN C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001588995538 984925377 /nfs/dbraw/zinc/92/53/77/984925377.db2.gz MEYZALRWBVOHQN-RSKUSDAESA-N 0 1 385.291 3.404 20 0 GGADMN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001588995539 984925670 /nfs/dbraw/zinc/92/56/70/984925670.db2.gz MEYZALRWBVOHQN-UKVQZPPCSA-N 0 1 385.291 3.404 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](OC)C[C@H]3C(=O)[O-])o2)cc1 ZINC001596714398 984941550 /nfs/dbraw/zinc/94/15/50/984941550.db2.gz ODADHNHGWGQUSA-WMZOPIPTSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](OC)C[C@H]3C(=O)[O-])o2)cc1 ZINC001596714398 984941554 /nfs/dbraw/zinc/94/15/54/984941554.db2.gz ODADHNHGWGQUSA-WMZOPIPTSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)[nH]1 ZINC001596720769 984965200 /nfs/dbraw/zinc/96/52/00/984965200.db2.gz OXIPSEYXHCJINV-OAHLLOKOSA-N 0 1 395.253 3.212 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[C@]1(C)C(=O)[O-] ZINC001599918975 985102320 /nfs/dbraw/zinc/10/23/20/985102320.db2.gz RZBFLOUETFUYPZ-JLMWRMLUSA-N 0 1 387.524 3.183 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001596754855 985118028 /nfs/dbraw/zinc/11/80/28/985118028.db2.gz WMEARRFJRTUMIL-VGOFRKELSA-N 0 1 397.475 3.126 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC001596754936 985120400 /nfs/dbraw/zinc/12/04/00/985120400.db2.gz BWQBTTLRDOBZRR-VIFPVBQESA-N 0 1 384.226 3.277 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC[C@H]1C(=O)[O-] ZINC001599920219 985120897 /nfs/dbraw/zinc/12/08/97/985120897.db2.gz JALLSJZZZVOHFM-YSIASYRMSA-N 0 1 399.535 3.041 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001589053541 985147381 /nfs/dbraw/zinc/14/73/81/985147381.db2.gz AVYKQSYYKZYBFJ-HZMBPMFUSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001589053541 985147386 /nfs/dbraw/zinc/14/73/86/985147386.db2.gz AVYKQSYYKZYBFJ-HZMBPMFUSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cs1)c1ccc(F)cc1F ZINC001589053543 985147664 /nfs/dbraw/zinc/14/76/64/985147664.db2.gz AVYKQSYYKZYBFJ-QMTHXVAHSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cs1)c1ccc(F)cc1F ZINC001589053543 985147666 /nfs/dbraw/zinc/14/76/66/985147666.db2.gz AVYKQSYYKZYBFJ-QMTHXVAHSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1)c1ccccc1F ZINC001589054013 985150466 /nfs/dbraw/zinc/15/04/66/985150466.db2.gz GGOFIVNDWDLNLN-SMDDNHRTSA-N 0 1 377.441 3.262 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1)c1ccccc1F ZINC001589054013 985150469 /nfs/dbraw/zinc/15/04/69/985150469.db2.gz GGOFIVNDWDLNLN-SMDDNHRTSA-N 0 1 377.441 3.262 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C[C@H](C)[N@@H+]1C ZINC001599922786 985160064 /nfs/dbraw/zinc/16/00/64/985160064.db2.gz WKYKBAIDUYDRFZ-TXEJJXNPSA-N 0 1 385.917 3.463 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@]1(C)C(=O)[O-] ZINC001599927179 985220342 /nfs/dbraw/zinc/22/03/42/985220342.db2.gz CGZDJNNNAJFJMS-YPMLDQLKSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@H](C)O1 ZINC001599929529 985282805 /nfs/dbraw/zinc/28/28/05/985282805.db2.gz BCZAIKHZQZQOAH-BETUJISGSA-N 0 1 397.541 3.317 20 0 GGADMN C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@H](C)O1 ZINC001599929529 985282813 /nfs/dbraw/zinc/28/28/13/985282813.db2.gz BCZAIKHZQZQOAH-BETUJISGSA-N 0 1 397.541 3.317 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])c3cccnc23)CCN1C(=O)OC(C)(C)C ZINC001599930137 985297027 /nfs/dbraw/zinc/29/70/27/985297027.db2.gz QFGKTZDYUDBAHZ-AWEZNQCLSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)CCN1C(=O)OC(C)(C)C ZINC001599930137 985297040 /nfs/dbraw/zinc/29/70/40/985297040.db2.gz QFGKTZDYUDBAHZ-AWEZNQCLSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@]12CC[N@H+](Cc3cc(C(=O)[O-])co3)C[C@H]1C2(Br)Br ZINC001599938541 985426037 /nfs/dbraw/zinc/42/60/37/985426037.db2.gz VZBVUWDTOLAHCC-PWSUYJOCSA-N 0 1 393.075 3.306 20 0 GGADMN C[C@]12CC[N@@H+](Cc3cc(C(=O)[O-])co3)C[C@H]1C2(Br)Br ZINC001599938541 985426040 /nfs/dbraw/zinc/42/60/40/985426040.db2.gz VZBVUWDTOLAHCC-PWSUYJOCSA-N 0 1 393.075 3.306 20 0 GGADMN C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001599938664 985427752 /nfs/dbraw/zinc/42/77/52/985427752.db2.gz OKDWIUZTHZBUOR-ZRCGQRJVSA-N 0 1 398.478 3.005 20 0 GGADMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC001589133393 985430307 /nfs/dbraw/zinc/43/03/07/985430307.db2.gz OVZQTECKIYXPHU-ZDUSSCGKSA-N 0 1 378.469 3.477 20 0 GGADMN C[Si](C)(C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1)c1ccccc1 ZINC001599939205 985433755 /nfs/dbraw/zinc/43/37/55/985433755.db2.gz GSXAEHSQVUCGRN-UHFFFAOYSA-N 0 1 392.369 3.491 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594474131 985478975 /nfs/dbraw/zinc/47/89/75/985478975.db2.gz XKXKUFHZRRSJNS-ZWKOTPCHSA-N 0 1 395.503 3.232 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594474126 985479306 /nfs/dbraw/zinc/47/93/06/985479306.db2.gz XKXKUFHZRRSJNS-QZTJIDSGSA-N 0 1 395.503 3.232 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594474975 985484507 /nfs/dbraw/zinc/48/45/07/985484507.db2.gz HYLJQFZYWMGTKY-LSDHHAIUSA-N 0 1 387.505 3.251 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943934 985491043 /nfs/dbraw/zinc/49/10/43/985491043.db2.gz GJCBIJUZPLTSAU-BONVTDFDSA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943934 985491046 /nfs/dbraw/zinc/49/10/46/985491046.db2.gz GJCBIJUZPLTSAU-BONVTDFDSA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943981 985492016 /nfs/dbraw/zinc/49/20/16/985492016.db2.gz MYXWPLFPFIXEEO-GDBMZVCRSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943981 985492021 /nfs/dbraw/zinc/49/20/21/985492021.db2.gz MYXWPLFPFIXEEO-GDBMZVCRSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1C(=O)[O-] ZINC001599944110 985494236 /nfs/dbraw/zinc/49/42/36/985494236.db2.gz BAMDIUQQQFSRDH-LBPRGKRZSA-N 0 1 398.385 3.065 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1C(=O)[O-] ZINC001599944110 985494242 /nfs/dbraw/zinc/49/42/42/985494242.db2.gz BAMDIUQQQFSRDH-LBPRGKRZSA-N 0 1 398.385 3.065 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1C(=O)[O-] ZINC001599944902 985508241 /nfs/dbraw/zinc/50/82/41/985508241.db2.gz LRFMNGVLNYEUGM-BPUTZDHNSA-N 0 1 375.513 3.144 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945039 985511747 /nfs/dbraw/zinc/51/17/47/985511747.db2.gz MRNPPMHQIBIACN-KGLIPLIRSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945039 985511756 /nfs/dbraw/zinc/51/17/56/985511756.db2.gz MRNPPMHQIBIACN-KGLIPLIRSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001599945868 985526261 /nfs/dbraw/zinc/52/62/61/985526261.db2.gz ZGBBEFXQOHPIRJ-GOSISDBHSA-N 0 1 384.476 3.274 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C)c1C(=O)[O-] ZINC001599945967 985527381 /nfs/dbraw/zinc/52/73/81/985527381.db2.gz QIEXHFUJKZPRLS-ZBFHGGJFSA-N 0 1 392.459 3.334 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945987 985528875 /nfs/dbraw/zinc/52/88/75/985528875.db2.gz QMEKLTHXCPLMKO-HZPDHXFCSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945987 985528877 /nfs/dbraw/zinc/52/88/77/985528877.db2.gz QMEKLTHXCPLMKO-HZPDHXFCSA-N 0 1 398.507 3.313 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1F)C(=O)[O-] ZINC001594481678 985530315 /nfs/dbraw/zinc/53/03/15/985530315.db2.gz YPVIDEJKQQDAPP-KGLIPLIRSA-N 0 1 393.459 3.016 20 0 GGADMN Cc1[nH]c(C(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599946273 985533052 /nfs/dbraw/zinc/53/30/52/985533052.db2.gz BZOVRRWVACRCJG-PBFBIOBFSA-N 0 1 397.519 3.259 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599946273 985533057 /nfs/dbraw/zinc/53/30/57/985533057.db2.gz BZOVRRWVACRCJG-PBFBIOBFSA-N 0 1 397.519 3.259 20 0 GGADMN Cc1[nH]c(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599949640 985586328 /nfs/dbraw/zinc/58/63/28/985586328.db2.gz MHAOWSUBPDNJDA-GOSISDBHSA-N 0 1 383.492 3.455 20 0 GGADMN C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC[N@H+]1CCC(=O)[O-] ZINC001594488923 985588760 /nfs/dbraw/zinc/58/87/60/985588760.db2.gz LRJJEAHTFOHBIG-NSHDSACASA-N 0 1 381.885 3.018 20 0 GGADMN Cc1[nH]c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC001599950241 985595839 /nfs/dbraw/zinc/59/58/39/985595839.db2.gz GGLRZFZQZJYHTG-IAOVAPTHSA-N 0 1 383.492 3.453 20 0 GGADMN CC(=O)Nc1ccc(C[NH+]2CCC(NCc3ccc(/C=C\C(=O)[O-])o3)CC2)cc1 ZINC001589191408 985600129 /nfs/dbraw/zinc/60/01/29/985600129.db2.gz HNFKIDWEJRKTHV-HJWRWDBZSA-N 0 1 397.475 3.090 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594493584 985616675 /nfs/dbraw/zinc/61/66/75/985616675.db2.gz DCCDQAICYOAIHL-ZWKOTPCHSA-N 0 1 380.488 3.439 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC001589195903 985623466 /nfs/dbraw/zinc/62/34/66/985623466.db2.gz MKRXNZATMRIALS-NRFANRHFSA-N 0 1 391.427 3.152 20 0 GGADMN Cc1[nH]c(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c(C)c1C(=O)[O-] ZINC001599952099 985626035 /nfs/dbraw/zinc/62/60/35/985626035.db2.gz GEXSWUNMSCNASP-CQSZACIVSA-N 0 1 384.480 3.388 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3ccccc3Cl)n2)CC[N@@H+]1CCC(=O)[O-] ZINC001594496746 985649346 /nfs/dbraw/zinc/64/93/46/985649346.db2.gz YMNMXDNFACSVQO-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3ccccc3Cl)n2)CC[N@H+]1CCC(=O)[O-] ZINC001594496746 985649355 /nfs/dbraw/zinc/64/93/55/985649355.db2.gz YMNMXDNFACSVQO-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC001599955171 985676625 /nfs/dbraw/zinc/67/66/25/985676625.db2.gz BLOZWZPDRRDBLJ-WMLDXEAASA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC001599955171 985676632 /nfs/dbraw/zinc/67/66/32/985676632.db2.gz BLOZWZPDRRDBLJ-WMLDXEAASA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001599955355 985679423 /nfs/dbraw/zinc/67/94/23/985679423.db2.gz HGTIOZMJOJXYQF-MRXNPFEDSA-N 0 1 381.432 3.184 20 0 GGADMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594504939 985705015 /nfs/dbraw/zinc/70/50/15/985705015.db2.gz CASZIKSHIDSGLG-YJYMSZOUSA-N 0 1 396.447 3.176 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC001599956987 985706222 /nfs/dbraw/zinc/70/62/22/985706222.db2.gz FPLXPFTVJGFTDL-UHFFFAOYSA-N 0 1 381.432 3.424 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC001599956987 985706238 /nfs/dbraw/zinc/70/62/38/985706238.db2.gz FPLXPFTVJGFTDL-UHFFFAOYSA-N 0 1 381.432 3.424 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC001599958195 985726093 /nfs/dbraw/zinc/72/60/93/985726093.db2.gz SXICBNBHLKWDIL-UHFFFAOYSA-N 0 1 376.482 3.195 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508164 985743395 /nfs/dbraw/zinc/74/33/95/985743395.db2.gz DYABYRZYHFDIRC-QQUHWDOBSA-N 0 1 379.325 3.433 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508164 985743403 /nfs/dbraw/zinc/74/34/03/985743403.db2.gz DYABYRZYHFDIRC-QQUHWDOBSA-N 0 1 379.325 3.433 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001599959449 985753722 /nfs/dbraw/zinc/75/37/22/985753722.db2.gz NWMPDWLLHJGBHS-GHTZIAJQSA-N 0 1 395.503 3.191 20 0 GGADMN C[C@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)Cc2ccccc21 ZINC001594508619 985753855 /nfs/dbraw/zinc/75/38/55/985753855.db2.gz IQQSCUGHBYXFPY-YCRPNKLZSA-N 0 1 391.471 3.341 20 0 GGADMN CCOC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001596884255 985765263 /nfs/dbraw/zinc/76/52/63/985765263.db2.gz JZQCXIJSKJGRCO-KRWDZBQOSA-N 0 1 378.856 3.236 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@H](C(=O)[O-])CN1C[C@H]1CCC(F)(F)C1 ZINC001594509145 985768748 /nfs/dbraw/zinc/76/87/48/985768748.db2.gz PHNQPQKYDBPCBJ-BARDWOONSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@H](C(=O)[O-])C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001594509145 985768758 /nfs/dbraw/zinc/76/87/58/985768758.db2.gz PHNQPQKYDBPCBJ-BARDWOONSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@H](C(=O)[O-])C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001594509145 985768767 /nfs/dbraw/zinc/76/87/67/985768767.db2.gz PHNQPQKYDBPCBJ-BARDWOONSA-N 0 1 380.426 3.317 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001599960853 985778758 /nfs/dbraw/zinc/77/87/58/985778758.db2.gz OTYMZDBDNWBSBF-AWEZNQCLSA-N 0 1 385.247 3.224 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001594513671 985803191 /nfs/dbraw/zinc/80/31/91/985803191.db2.gz NFTKBQZGGFSVEG-ZDUSSCGKSA-N 0 1 399.318 3.423 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001599962470 985814937 /nfs/dbraw/zinc/81/49/37/985814937.db2.gz IBEXLYCGQXHLOQ-UHFFFAOYSA-N 0 1 377.485 3.244 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2cccc(F)c2)CCCCC1 ZINC001594513916 985816197 /nfs/dbraw/zinc/81/61/97/985816197.db2.gz RKHWTECXPYAQEM-MRXNPFEDSA-N 0 1 376.472 3.035 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC001594514857 985858369 /nfs/dbraw/zinc/85/83/69/985858369.db2.gz CULHRHBGORSJQU-KSSFIOAISA-N 0 1 379.476 3.103 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC001594516110 985891577 /nfs/dbraw/zinc/89/15/77/985891577.db2.gz SPQRYMUUDNCFEE-HNNXBMFYSA-N 0 1 378.538 3.084 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001594516140 985895666 /nfs/dbraw/zinc/89/56/66/985895666.db2.gz TZRSCYHZQQGRHA-OAHLLOKOSA-N 0 1 388.439 3.026 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001594516731 985913311 /nfs/dbraw/zinc/91/33/11/985913311.db2.gz RLJJAJJVPWEWSQ-BEFAXECRSA-N 0 1 381.476 3.018 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001594516734 985914225 /nfs/dbraw/zinc/91/42/25/985914225.db2.gz RLJJAJJVPWEWSQ-KXBFYZLASA-N 0 1 381.476 3.018 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001594516732 985914524 /nfs/dbraw/zinc/91/45/24/985914524.db2.gz RLJJAJJVPWEWSQ-DNVCBOLYSA-N 0 1 381.476 3.018 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC001594516892 985918979 /nfs/dbraw/zinc/91/89/79/985918979.db2.gz WANQQEFYAALDNV-UGSOOPFHSA-N 0 1 397.466 3.242 20 0 GGADMN CCOCCC[N@@H+](C[C@@H](C)C(=O)[O-])C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001596912494 985919636 /nfs/dbraw/zinc/91/96/36/985919636.db2.gz SYSXHCAMDXZTRQ-OXQOHEQNSA-N 0 1 386.533 3.083 20 0 GGADMN CCOCCC[N@@H+](Cc1nc2ccccn2c1Br)C[C@@H](C)C(=O)[O-] ZINC001596914584 985927340 /nfs/dbraw/zinc/92/73/40/985927340.db2.gz BPPBHCBTHFFGDD-CYBMUJFWSA-N 0 1 398.301 3.046 20 0 GGADMN CCOCCC[N@H+](Cc1nc2ccccn2c1Br)C[C@@H](C)C(=O)[O-] ZINC001596914584 985927352 /nfs/dbraw/zinc/92/73/52/985927352.db2.gz BPPBHCBTHFFGDD-CYBMUJFWSA-N 0 1 398.301 3.046 20 0 GGADMN CCOCCC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C[C@H](C)C(=O)[O-] ZINC001596914963 985934850 /nfs/dbraw/zinc/93/48/50/985934850.db2.gz MRJUHLJXSCDTTD-INIZCTEOSA-N 0 1 375.465 3.359 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])sc2C)[C@@H](C)C1 ZINC001596916481 985947441 /nfs/dbraw/zinc/94/74/41/985947441.db2.gz FEWXIRDXNXUUAC-GXTWGEPZSA-N 0 1 383.514 3.013 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001594519346 985949683 /nfs/dbraw/zinc/94/96/83/985949683.db2.gz SHZKDKAIMXCNRL-SFHVURJKSA-N 0 1 395.503 3.087 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)[C@H](C)C1 ZINC001596916764 985950726 /nfs/dbraw/zinc/95/07/26/985950726.db2.gz JFDFQQOQKBYXNB-RPVQJOFSSA-N 0 1 386.895 3.331 20 0 GGADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001594519552 985958469 /nfs/dbraw/zinc/95/84/69/985958469.db2.gz ZFIRMGZGIXANQY-ROUUACIJSA-N 0 1 396.487 3.128 20 0 GGADMN C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC001594519494 985958694 /nfs/dbraw/zinc/95/86/94/985958694.db2.gz WZONRJHINGQFJP-RYUDHWBXSA-N 0 1 388.295 3.245 20 0 GGADMN CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])c3cccnc23)[C@H](C)C1 ZINC001596917304 985959373 /nfs/dbraw/zinc/95/93/73/985959373.db2.gz VFUKBBXNECIQLF-OXQOHEQNSA-N 0 1 385.508 3.160 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001594519650 985964393 /nfs/dbraw/zinc/96/43/93/985964393.db2.gz BSEKZLIZSLUQGP-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001594519650 985964403 /nfs/dbraw/zinc/96/44/03/985964403.db2.gz BSEKZLIZSLUQGP-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001594520007 985969645 /nfs/dbraw/zinc/96/96/45/985969645.db2.gz JJIHMVJFVJUHEQ-NSHDSACASA-N 0 1 396.274 3.163 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001594520801 985985087 /nfs/dbraw/zinc/98/50/87/985985087.db2.gz ZJBRGOVMKCMQKV-SNVBAGLBSA-N 0 1 384.263 3.096 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC001599970281 985994218 /nfs/dbraw/zinc/99/42/18/985994218.db2.gz PFOPLKOGRBHISU-CQSZACIVSA-N 0 1 396.260 3.456 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC001599970281 985994228 /nfs/dbraw/zinc/99/42/28/985994228.db2.gz PFOPLKOGRBHISU-CQSZACIVSA-N 0 1 396.260 3.456 20 0 GGADMN Cc1c(Br)cccc1C[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599972292 986027602 /nfs/dbraw/zinc/02/76/02/986027602.db2.gz ILYXSJMQALYODY-SFHVURJKSA-N 0 1 382.298 3.339 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cc(Cl)ccc1Br ZINC001594526019 986042174 /nfs/dbraw/zinc/04/21/74/986042174.db2.gz PUTAYKUZVNRNGK-NSHDSACASA-N 0 1 375.694 3.083 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cc(Cl)ccc1Br ZINC001594526017 986042529 /nfs/dbraw/zinc/04/25/29/986042529.db2.gz PUTAYKUZVNRNGK-LLVKDONJSA-N 0 1 375.694 3.083 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCCCOc1ccccc1C(F)(F)F ZINC001594526133 986045044 /nfs/dbraw/zinc/04/50/44/986045044.db2.gz SADYZCOBMADZKG-OAHLLOKOSA-N 0 1 388.430 3.345 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001594526133 986045051 /nfs/dbraw/zinc/04/50/51/986045051.db2.gz SADYZCOBMADZKG-OAHLLOKOSA-N 0 1 388.430 3.345 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001594526133 986045067 /nfs/dbraw/zinc/04/50/67/986045067.db2.gz SADYZCOBMADZKG-OAHLLOKOSA-N 0 1 388.430 3.345 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001589309166 986077603 /nfs/dbraw/zinc/07/76/03/986077603.db2.gz HMBQRHSDZLRJIK-DJJJIMSYSA-N 0 1 394.427 3.248 20 0 GGADMN C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C[C@H](C)O1 ZINC001594529351 986110489 /nfs/dbraw/zinc/11/04/89/986110489.db2.gz WOVFNHGEKJKDEU-GASCZTMLSA-N 0 1 385.464 3.159 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC001594532162 986128918 /nfs/dbraw/zinc/12/89/18/986128918.db2.gz VACDINYAYDKJTB-OYEJSCKISA-N 0 1 389.492 3.463 20 0 GGADMN C[C@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594532097 986129150 /nfs/dbraw/zinc/12/91/50/986129150.db2.gz TYXXQMVWMQJFQG-DLENHJPASA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H]1C[N@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532097 986129153 /nfs/dbraw/zinc/12/91/53/986129153.db2.gz TYXXQMVWMQJFQG-DLENHJPASA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532097 986129159 /nfs/dbraw/zinc/12/91/59/986129159.db2.gz TYXXQMVWMQJFQG-DLENHJPASA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594532161 986129535 /nfs/dbraw/zinc/12/95/35/986129535.db2.gz VACDINYAYDKJTB-LLNNVJIESA-N 0 1 389.492 3.463 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC001594535802 986149583 /nfs/dbraw/zinc/14/95/83/986149583.db2.gz AZOAOIRAQONAPE-GQIGUUNPSA-N 0 1 383.444 3.279 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC001594535802 986149589 /nfs/dbraw/zinc/14/95/89/986149589.db2.gz AZOAOIRAQONAPE-GQIGUUNPSA-N 0 1 383.444 3.279 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC001594535810 986149674 /nfs/dbraw/zinc/14/96/74/986149674.db2.gz AZOAOIRAQONAPE-QINHECLXSA-N 0 1 383.444 3.279 20 0 GGADMN C[C@@H]1CN(Cc2c(Br)cccc2C(=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001594536116 986151137 /nfs/dbraw/zinc/15/11/37/986151137.db2.gz PGINRIUJPAVJMW-CYBMUJFWSA-N 0 1 381.314 3.454 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccsc3)cc2)C[C@H](C)O1 ZINC001594539349 986169293 /nfs/dbraw/zinc/16/92/93/986169293.db2.gz RFNULCYJHWYMQQ-QWQRMKEZSA-N 0 1 389.473 3.340 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccsc3)cc2)C[C@H](C)O1 ZINC001594539349 986169299 /nfs/dbraw/zinc/16/92/99/986169299.db2.gz RFNULCYJHWYMQQ-QWQRMKEZSA-N 0 1 389.473 3.340 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC001594538978 986169600 /nfs/dbraw/zinc/16/96/00/986169600.db2.gz QEHKJLMAIUXCTA-CBGDNZLLSA-N 0 1 397.471 3.149 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC001594538988 986170232 /nfs/dbraw/zinc/17/02/32/986170232.db2.gz QEHKJLMAIUXCTA-LZJOCLMNSA-N 0 1 397.471 3.149 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2)C[C@@H](C)O1 ZINC001594542157 986179317 /nfs/dbraw/zinc/17/93/17/986179317.db2.gz DZKQZRBGABUDRR-KILAXVPQSA-N 0 1 386.492 3.269 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594542203 986179457 /nfs/dbraw/zinc/17/94/57/986179457.db2.gz GHURTNJRJVQYST-HOCLYGCPSA-N 0 1 387.505 3.014 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594542970 986192803 /nfs/dbraw/zinc/19/28/03/986192803.db2.gz WVQPOVVJANPFGZ-LPHOPBHVSA-N 0 1 381.476 3.203 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544147 986197885 /nfs/dbraw/zinc/19/78/85/986197885.db2.gz DLIBFSAICMBRLH-IERDGZPVSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544147 986197890 /nfs/dbraw/zinc/19/78/90/986197890.db2.gz DLIBFSAICMBRLH-IERDGZPVSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544147 986197895 /nfs/dbraw/zinc/19/78/95/986197895.db2.gz DLIBFSAICMBRLH-IERDGZPVSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594544587 986200894 /nfs/dbraw/zinc/20/08/94/986200894.db2.gz KSLAFCLVRWFYSK-QGZVFWFLSA-N 0 1 397.475 3.136 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594545044 986205452 /nfs/dbraw/zinc/20/54/52/986205452.db2.gz ONNGLLPEAGCJGF-MGPUTAFESA-N 0 1 399.466 3.485 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594545046 986205608 /nfs/dbraw/zinc/20/56/08/986205608.db2.gz ONNGLLPEAGCJGF-YWZLYKJASA-N 0 1 399.466 3.485 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001594545365 986208695 /nfs/dbraw/zinc/20/86/95/986208695.db2.gz QXIZOXKRGHEKJL-DYESRHJHSA-N 0 1 395.503 3.137 20 0 GGADMN CCO[C@@H]1C[N@H+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001596975011 986211493 /nfs/dbraw/zinc/21/14/93/986211493.db2.gz RKSXHFBIVTYGBC-SQWLQELKSA-N 0 1 396.484 3.209 20 0 GGADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001596975097 986212500 /nfs/dbraw/zinc/21/25/00/986212500.db2.gz VEKACAFKZVQESD-UYAOXDASSA-N 0 1 397.475 3.043 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594545990 986214798 /nfs/dbraw/zinc/21/47/98/986214798.db2.gz XKOSDVJVKXGQIS-JBYGMCGMSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594548414 986238224 /nfs/dbraw/zinc/23/82/24/986238224.db2.gz ULBACGZACXSVJD-HZPDHXFCSA-N 0 1 378.476 3.356 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594548415 986239473 /nfs/dbraw/zinc/23/94/73/986239473.db2.gz ULBACGZACXSVJD-JKSUJKDBSA-N 0 1 378.476 3.356 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589340016 986245097 /nfs/dbraw/zinc/24/50/97/986245097.db2.gz RBIGZMPUPGBSPP-JMERFSKESA-N 0 1 382.863 3.013 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC001589341791 986256788 /nfs/dbraw/zinc/25/67/88/986256788.db2.gz BEHUXGCAYWIFRT-CQSZACIVSA-N 0 1 379.526 3.384 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349341 986300450 /nfs/dbraw/zinc/30/04/50/986300450.db2.gz GDMATJSWCFLUIY-XJKSGUPXSA-N 0 1 398.425 3.206 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001589349727 986302303 /nfs/dbraw/zinc/30/23/03/986302303.db2.gz KGEDCYPIYUVYQF-YJBOKZPZSA-N 0 1 383.492 3.059 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001594569637 986381953 /nfs/dbraw/zinc/38/19/53/986381953.db2.gz NGPYZLQCOZQMAF-GCJKJVERSA-N 0 1 379.504 3.170 20 0 GGADMN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC001594569795 986384232 /nfs/dbraw/zinc/38/42/32/986384232.db2.gz QWYZVECCMRJYJO-TXEJJXNPSA-N 0 1 383.370 3.491 20 0 GGADMN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1Cc1oncc1C(=O)[O-] ZINC001594569795 986384245 /nfs/dbraw/zinc/38/42/45/986384245.db2.gz QWYZVECCMRJYJO-TXEJJXNPSA-N 0 1 383.370 3.491 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC001594570411 986392258 /nfs/dbraw/zinc/39/22/58/986392258.db2.gz SDSJHOUBNXBKMP-HTAPYJJXSA-N 0 1 396.487 3.263 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001594571146 986404522 /nfs/dbraw/zinc/40/45/22/986404522.db2.gz ZUPMXLOYZHUBSI-SJORKVTESA-N 0 1 387.524 3.075 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001594571146 986404525 /nfs/dbraw/zinc/40/45/25/986404525.db2.gz ZUPMXLOYZHUBSI-SJORKVTESA-N 0 1 387.524 3.075 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001597021399 986411111 /nfs/dbraw/zinc/41/11/11/986411111.db2.gz YFUNAWSNVUADHA-UHFFFAOYSA-N 0 1 397.475 3.353 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373510 986422378 /nfs/dbraw/zinc/42/23/78/986422378.db2.gz DTTGGFLEOXROEX-DARAHFNDSA-N 0 1 398.425 3.328 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373510 986422386 /nfs/dbraw/zinc/42/23/86/986422386.db2.gz DTTGGFLEOXROEX-DARAHFNDSA-N 0 1 398.425 3.328 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373519 986422792 /nfs/dbraw/zinc/42/27/92/986422792.db2.gz DTTGGFLEOXROEX-LUYZLQTOSA-N 0 1 398.425 3.328 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373519 986422799 /nfs/dbraw/zinc/42/27/99/986422799.db2.gz DTTGGFLEOXROEX-LUYZLQTOSA-N 0 1 398.425 3.328 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030410 986444517 /nfs/dbraw/zinc/44/45/17/986444517.db2.gz AKAIFKHRTRVMCC-RHSMWYFYSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031259 986449066 /nfs/dbraw/zinc/44/90/66/986449066.db2.gz KPXKPYIIZJLOCW-GOEBONIOSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](COC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032422 986455543 /nfs/dbraw/zinc/45/55/43/986455543.db2.gz UULPKVUDHHVEDN-MRXNPFEDSA-N 0 1 389.448 3.424 20 0 GGADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589389386 986503723 /nfs/dbraw/zinc/50/37/23/986503723.db2.gz ZMECYOLVRUXYLJ-SQGPQFPESA-N 0 1 380.488 3.323 20 0 GGADMN CCOc1ccc(-c2nc(C[N@@H+]3[C@H]4C[C@H](C(=O)[O-])O[C@H]4CC[C@H]3C)co2)cc1 ZINC001597049481 986521176 /nfs/dbraw/zinc/52/11/76/986521176.db2.gz PNAIZEFDUREVCQ-WEZQJLTASA-N 0 1 386.448 3.335 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3[C@H]4C[C@H](C(=O)[O-])O[C@H]4CC[C@H]3C)co2)cc1 ZINC001597049481 986521186 /nfs/dbraw/zinc/52/11/86/986521186.db2.gz PNAIZEFDUREVCQ-WEZQJLTASA-N 0 1 386.448 3.335 20 0 GGADMN C[C@H]1COCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001594607275 986577091 /nfs/dbraw/zinc/57/70/91/986577091.db2.gz OPPGQHHACGDJJJ-LLVKDONJSA-N 0 1 384.263 3.346 20 0 GGADMN C[C@@H]1COCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001594607277 986577325 /nfs/dbraw/zinc/57/73/25/986577325.db2.gz OPPGQHHACGDJJJ-NSHDSACASA-N 0 1 384.263 3.346 20 0 GGADMN C[C@H]1COCC[N@H+]1C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607776 986586654 /nfs/dbraw/zinc/58/66/54/986586654.db2.gz ZXYUZORUJQKOIQ-SJCJKPOMSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@H]1COCCN1C1CC[NH+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607776 986586657 /nfs/dbraw/zinc/58/66/57/986586657.db2.gz ZXYUZORUJQKOIQ-SJCJKPOMSA-N 0 1 387.307 3.304 20 0 GGADMN CCOc1ccc([C@@H](O)C2CC[NH+](Cc3nc(C(=O)[O-])cs3)CC2)cc1 ZINC001597074067 986596716 /nfs/dbraw/zinc/59/67/16/986596716.db2.gz HPJQEDMELSMNNS-GOSISDBHSA-N 0 1 376.478 3.186 20 0 GGADMN CCOc1ccc(CN(C)C(=O)C[N@@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001597100851 986710761 /nfs/dbraw/zinc/71/07/61/986710761.db2.gz QKDXVQBOFGEFFQ-SFTDATJTSA-N 0 1 396.487 3.334 20 0 GGADMN CCOc1ccc(CN(C)C(=O)C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001597100851 986710780 /nfs/dbraw/zinc/71/07/80/986710780.db2.gz QKDXVQBOFGEFFQ-SFTDATJTSA-N 0 1 396.487 3.334 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589431089 986723448 /nfs/dbraw/zinc/72/34/48/986723448.db2.gz DJFKOIMUBSCDEI-HOCLYGCPSA-N 0 1 384.480 3.227 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589431804 986734090 /nfs/dbraw/zinc/73/40/90/986734090.db2.gz OYJWQDBFEAZDPI-ZLENFMNRSA-N 0 1 381.270 3.105 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435513 986745784 /nfs/dbraw/zinc/74/57/84/986745784.db2.gz KQXXVRVFGIOJAM-GHMZBOCLSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435513 986745797 /nfs/dbraw/zinc/74/57/97/986745797.db2.gz KQXXVRVFGIOJAM-GHMZBOCLSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436241 986750305 /nfs/dbraw/zinc/75/03/05/986750305.db2.gz RGQBCISNFRNAIZ-GHMZBOCLSA-N 0 1 395.431 3.326 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436241 986750318 /nfs/dbraw/zinc/75/03/18/986750318.db2.gz RGQBCISNFRNAIZ-GHMZBOCLSA-N 0 1 395.431 3.326 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589438315 986763267 /nfs/dbraw/zinc/76/32/67/986763267.db2.gz KPGMUVJZONVRAY-INIZCTEOSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589438315 986763272 /nfs/dbraw/zinc/76/32/72/986763272.db2.gz KPGMUVJZONVRAY-INIZCTEOSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001589439795 986778809 /nfs/dbraw/zinc/77/88/09/986778809.db2.gz KQDCKAOSYKNCNT-GFCCVEGCSA-N 0 1 391.468 3.262 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001597113094 986784786 /nfs/dbraw/zinc/78/47/86/986784786.db2.gz RGADFZBTJAHYKF-AUUYWEPGSA-N 0 1 396.443 3.444 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440459 986786229 /nfs/dbraw/zinc/78/62/29/986786229.db2.gz XWLXGALOZTVROY-WDEREUQCSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440459 986786240 /nfs/dbraw/zinc/78/62/40/986786240.db2.gz XWLXGALOZTVROY-WDEREUQCSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001589440493 986788065 /nfs/dbraw/zinc/78/80/65/986788065.db2.gz YPUDRLSRVPSAHR-HDMKZQKVSA-N 0 1 399.516 3.496 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589444161 986795445 /nfs/dbraw/zinc/79/54/45/986795445.db2.gz FGDAMPHCLJGVOS-AWEZNQCLSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589444161 986795454 /nfs/dbraw/zinc/79/54/54/986795454.db2.gz FGDAMPHCLJGVOS-AWEZNQCLSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589444252 986797295 /nfs/dbraw/zinc/79/72/95/986797295.db2.gz JORXSTJBKOFGCO-SLEUVZQESA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589444252 986797305 /nfs/dbraw/zinc/79/73/05/986797305.db2.gz JORXSTJBKOFGCO-SLEUVZQESA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589444220 986797798 /nfs/dbraw/zinc/79/77/98/986797798.db2.gz GWFDYSMYNMHKEW-LBPRGKRZSA-N 0 1 378.375 3.445 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589444220 986797808 /nfs/dbraw/zinc/79/78/08/986797808.db2.gz GWFDYSMYNMHKEW-LBPRGKRZSA-N 0 1 378.375 3.445 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001589444880 986805594 /nfs/dbraw/zinc/80/55/94/986805594.db2.gz SAMRJQXREBHKFR-CRTZDJKQSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445686 986815936 /nfs/dbraw/zinc/81/59/36/986815936.db2.gz WMZWXRZWELSGIR-AWEZNQCLSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445686 986815944 /nfs/dbraw/zinc/81/59/44/986815944.db2.gz WMZWXRZWELSGIR-AWEZNQCLSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589449084 986833411 /nfs/dbraw/zinc/83/34/11/986833411.db2.gz YUAURDLHDPPQPC-NUEKZKHPSA-N 0 1 395.484 3.424 20 0 GGADMN C[C@H]1c2ccsc2CC[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001594670847 986980839 /nfs/dbraw/zinc/98/08/39/986980839.db2.gz HZJGAPFHUDQSRH-ORAYPTAESA-N 0 1 397.500 3.402 20 0 GGADMN C[C@H]1c2ccsc2CC[N@@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001594670847 986980851 /nfs/dbraw/zinc/98/08/51/986980851.db2.gz HZJGAPFHUDQSRH-ORAYPTAESA-N 0 1 397.500 3.402 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CCC1 ZINC001589478770 986999598 /nfs/dbraw/zinc/99/95/98/986999598.db2.gz ILMUOWOCLDUDRG-OAHLLOKOSA-N 0 1 376.472 3.081 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CCC1 ZINC001589478770 986999607 /nfs/dbraw/zinc/99/96/07/986999607.db2.gz ILMUOWOCLDUDRG-OAHLLOKOSA-N 0 1 376.472 3.081 20 0 GGADMN CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)[C@@H](C)C1 ZINC001597172909 987008558 /nfs/dbraw/zinc/00/85/58/987008558.db2.gz SWKMHGRGWBRXSH-INIZCTEOSA-N 0 1 385.508 3.137 20 0 GGADMN CCOc1ccccc1C[N@H+]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)[C@@H](C)C1 ZINC001597172909 987008568 /nfs/dbraw/zinc/00/85/68/987008568.db2.gz SWKMHGRGWBRXSH-INIZCTEOSA-N 0 1 385.508 3.137 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001589486597 987031628 /nfs/dbraw/zinc/03/16/28/987031628.db2.gz QIOBLEAUOCRPMA-IUODEOHRSA-N 0 1 388.327 3.499 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CCC1 ZINC001589486960 987039512 /nfs/dbraw/zinc/03/95/12/987039512.db2.gz WBEOEMDHOUBMJP-HNNXBMFYSA-N 0 1 395.459 3.205 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CCC1 ZINC001589486960 987039522 /nfs/dbraw/zinc/03/95/22/987039522.db2.gz WBEOEMDHOUBMJP-HNNXBMFYSA-N 0 1 395.459 3.205 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCC1 ZINC001589487169 987042987 /nfs/dbraw/zinc/04/29/87/987042987.db2.gz SMZXWSUKLZMYTI-LBPRGKRZSA-N 0 1 381.473 3.262 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCC1 ZINC001589487169 987042996 /nfs/dbraw/zinc/04/29/96/987042996.db2.gz SMZXWSUKLZMYTI-LBPRGKRZSA-N 0 1 381.473 3.262 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001589513205 987156231 /nfs/dbraw/zinc/15/62/31/987156231.db2.gz PAYYGWLKKGSXQY-ZTNFWEORSA-N 0 1 381.476 3.342 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001597229951 987181745 /nfs/dbraw/zinc/18/17/45/987181745.db2.gz PPXIGPOFDVRKKU-WDEREUQCSA-N 0 1 383.495 3.015 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(C[NH2+][C@]3(C(=O)[O-])CCCC(C)(C)C3)nc2c1 ZINC001597239737 987209172 /nfs/dbraw/zinc/20/91/72/987209172.db2.gz KNLGOXRNXCUAEW-LJQANCHMSA-N 0 1 394.493 3.135 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC001597256171 987256546 /nfs/dbraw/zinc/25/65/46/987256546.db2.gz HXKHUQIKKVHMHM-NWDGAFQWSA-N 0 1 382.551 3.480 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC001597256172 987256649 /nfs/dbraw/zinc/25/66/49/987256649.db2.gz HXKHUQIKKVHMHM-RYUDHWBXSA-N 0 1 382.551 3.480 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594735706 987271459 /nfs/dbraw/zinc/27/14/59/987271459.db2.gz QMHUWZMNFTUCBU-UGKGYDQZSA-N 0 1 382.460 3.141 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC001589595520 987414402 /nfs/dbraw/zinc/41/44/02/987414402.db2.gz WNKORPPCTUEGEA-PKOBYXMFSA-N 0 1 387.524 3.260 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001589595497 987414436 /nfs/dbraw/zinc/41/44/36/987414436.db2.gz VWUYMZRTVGJKNG-WOJBJXKFSA-N 0 1 395.503 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001589611015 987460165 /nfs/dbraw/zinc/46/01/65/987460165.db2.gz YRPVEVXMKZWGDL-WMZOPIPTSA-N 0 1 379.545 3.316 20 0 GGADMN CCc1[nH]c(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c(C)c1C(=O)[O-] ZINC001597361842 987523207 /nfs/dbraw/zinc/52/32/07/987523207.db2.gz OFNYAWIXTLLYEH-HXOBKFHXSA-N 0 1 395.503 3.178 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001597368231 987547058 /nfs/dbraw/zinc/54/70/58/987547058.db2.gz OADKGGJOHGRPJA-KRWDZBQOSA-N 0 1 383.492 3.226 20 0 GGADMN CCc1[nH]c(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)c(C)c1C(=O)[O-] ZINC001597372587 987555523 /nfs/dbraw/zinc/55/55/23/987555523.db2.gz DSGSUYAYKUBVHV-QGZVFWFLSA-N 0 1 396.491 3.120 20 0 GGADMN CCc1[nH]c(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C(=O)OC ZINC001597380285 987571715 /nfs/dbraw/zinc/57/17/15/987571715.db2.gz DGBKMWSNENIYNV-MRXNPFEDSA-N 0 1 384.354 3.039 20 0 GGADMN CCc1[nH]c(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C(=O)OC ZINC001597380285 987571722 /nfs/dbraw/zinc/57/17/22/987571722.db2.gz DGBKMWSNENIYNV-MRXNPFEDSA-N 0 1 384.354 3.039 20 0 GGADMN CCc1[nH]c(CN2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC001597383118 987581740 /nfs/dbraw/zinc/58/17/40/987581740.db2.gz BHEQJHNQYOTNTR-HXOBKFHXSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC001597383118 987581752 /nfs/dbraw/zinc/58/17/52/987581752.db2.gz BHEQJHNQYOTNTR-HXOBKFHXSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)cc1C(=O)[O-] ZINC001597384337 987588168 /nfs/dbraw/zinc/58/81/68/987588168.db2.gz JSBADAVBCZLYHZ-OAQYLSRUSA-N 0 1 396.491 3.228 20 0 GGADMN CCc1[nH]c(C[NH2+][C@@H](CCO)c2ccccc2Br)cc1C(=O)[O-] ZINC001597391318 987620107 /nfs/dbraw/zinc/62/01/07/987620107.db2.gz KGNDQSRZQMZYQX-INIZCTEOSA-N 0 1 381.270 3.251 20 0 GGADMN CC(C)(C)C(=O)N1CC[N@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C(C)(C)C1 ZINC001589689528 987742451 /nfs/dbraw/zinc/74/24/51/987742451.db2.gz GQFXIJVZSLLNLL-DHZHZOJOSA-N 0 1 388.508 3.132 20 0 GGADMN CC(C)(C)C(=O)N1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C(C)(C)C1 ZINC001589689528 987742455 /nfs/dbraw/zinc/74/24/55/987742455.db2.gz GQFXIJVZSLLNLL-DHZHZOJOSA-N 0 1 388.508 3.132 20 0 GGADMN CC(C)(C)C(=O)N1CC[N@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C(C)(C)C1 ZINC001589689529 987742693 /nfs/dbraw/zinc/74/26/93/987742693.db2.gz GQFXIJVZSLLNLL-FLIBITNWSA-N 0 1 388.508 3.132 20 0 GGADMN CC(C)(C)C(=O)N1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C(C)(C)C1 ZINC001589689529 987742694 /nfs/dbraw/zinc/74/26/94/987742694.db2.gz GQFXIJVZSLLNLL-FLIBITNWSA-N 0 1 388.508 3.132 20 0 GGADMN CC(C)(C)[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC001589716429 987858615 /nfs/dbraw/zinc/85/86/15/987858615.db2.gz FGJCTAIGNODYAH-DYVFJYSZSA-N 0 1 389.477 3.108 20 0 GGADMN CC(C)(C)[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(=O)[O-] ZINC001589716430 987858682 /nfs/dbraw/zinc/85/86/82/987858682.db2.gz FGJCTAIGNODYAH-GUYCJALGSA-N 0 1 389.477 3.108 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC001597457071 987869326 /nfs/dbraw/zinc/86/93/26/987869326.db2.gz QKHSTMRSBGZXEW-LJQANCHMSA-N 0 1 381.476 3.338 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC001597457071 987869334 /nfs/dbraw/zinc/86/93/34/987869334.db2.gz QKHSTMRSBGZXEW-LJQANCHMSA-N 0 1 381.476 3.338 20 0 GGADMN CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001599787357 987946099 /nfs/dbraw/zinc/94/60/99/987946099.db2.gz CKUJPAASWDZEBF-NWDGAFQWSA-N 0 1 382.551 3.480 20 0 GGADMN CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001599787356 987946150 /nfs/dbraw/zinc/94/61/50/987946150.db2.gz CKUJPAASWDZEBF-NEPJUHHUSA-N 0 1 382.551 3.480 20 0 GGADMN CCc1cc2c(C[N@H+]3Cc4ccccc4C[C@H]3C(=O)[O-])cc(=O)oc2cc1O ZINC001597488835 988002289 /nfs/dbraw/zinc/00/22/89/988002289.db2.gz OYAHIHYAOCDXFH-SFHVURJKSA-N 0 1 379.412 3.073 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC001589743121 988021380 /nfs/dbraw/zinc/02/13/80/988021380.db2.gz DJIONDUOVFBEQE-RDJZCZTQSA-N 0 1 375.513 3.499 20 0 GGADMN CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cs2)cc1 ZINC001597492391 988028288 /nfs/dbraw/zinc/02/82/88/988028288.db2.gz OOKBXWZLTKNBJM-INIZCTEOSA-N 0 1 383.477 3.109 20 0 GGADMN CCc1ccc(-c2nc(C[N@H+]3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cs2)cc1 ZINC001597492391 988028305 /nfs/dbraw/zinc/02/83/05/988028305.db2.gz OOKBXWZLTKNBJM-INIZCTEOSA-N 0 1 383.477 3.109 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745900 988043639 /nfs/dbraw/zinc/04/36/39/988043639.db2.gz VSDVZMKZHHEQPB-IAGOWNOFSA-N 0 1 396.528 3.311 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745900 988043653 /nfs/dbraw/zinc/04/36/53/988043653.db2.gz VSDVZMKZHHEQPB-IAGOWNOFSA-N 0 1 396.528 3.311 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745904 988043904 /nfs/dbraw/zinc/04/39/04/988043904.db2.gz VSDVZMKZHHEQPB-SJORKVTESA-N 0 1 396.528 3.311 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745904 988043914 /nfs/dbraw/zinc/04/39/14/988043914.db2.gz VSDVZMKZHHEQPB-SJORKVTESA-N 0 1 396.528 3.311 20 0 GGADMN CSCC[C@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1nnc2ccccn21 ZINC001599794988 988082103 /nfs/dbraw/zinc/08/21/03/988082103.db2.gz TZWJSQAMDXTCSB-INIZCTEOSA-N 0 1 399.520 3.149 20 0 GGADMN CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3OC)C2)cc1 ZINC001597517376 988131623 /nfs/dbraw/zinc/13/16/23/988131623.db2.gz LGYVFJWOIDIOGV-PMACEKPBSA-N 0 1 399.487 3.185 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(C(=O)[O-])ccc1Br ZINC001589780616 988153146 /nfs/dbraw/zinc/15/31/46/988153146.db2.gz DPAFLPOTXJPWPI-UHFFFAOYSA-N 0 1 385.302 3.178 20 0 GGADMN CCc1[nH]c(C(=O)N2CC[NH+](Cc3ccc(CC)cc3)CC2)c(C)c1C(=O)[O-] ZINC001597525972 988166973 /nfs/dbraw/zinc/16/69/73/988166973.db2.gz DVBMERNRKIORKF-UHFFFAOYSA-N 0 1 383.492 3.104 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)NCC3(CC(=O)[O-])CCCC3)CC2)cc1 ZINC001597526064 988168637 /nfs/dbraw/zinc/16/86/37/988168637.db2.gz HULUOHNHZIWGJU-UHFFFAOYSA-N 0 1 387.524 3.111 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC001589802726 988214964 /nfs/dbraw/zinc/21/49/64/988214964.db2.gz VZCKAZLHKOOSKP-GFCCVEGCSA-N 0 1 383.876 3.045 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)C1 ZINC001589805889 988224833 /nfs/dbraw/zinc/22/48/33/988224833.db2.gz JHMNFKFGTRGSTI-GFCCVEGCSA-N 0 1 385.411 3.023 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001589806142 988227257 /nfs/dbraw/zinc/22/72/57/988227257.db2.gz LQXNQOJLSXLYOC-FQEVSTJZSA-N 0 1 376.428 3.002 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001589806426 988229162 /nfs/dbraw/zinc/22/91/62/988229162.db2.gz ONTPKPPLSPVHHF-INIZCTEOSA-N 0 1 387.249 3.298 20 0 GGADMN CCc1ccc(NC(=O)c2nnc(C[NH2+]C3(CC(=O)[O-])CCCC3)s2)cc1 ZINC001597551726 988275900 /nfs/dbraw/zinc/27/59/00/988275900.db2.gz KQEORPMTNVULIU-UHFFFAOYSA-N 0 1 388.493 3.230 20 0 GGADMN CCc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])C[C@@H]3[C@H]3CCCO3)cc(=O)oc2c1 ZINC001597563769 988318628 /nfs/dbraw/zinc/31/86/28/988318628.db2.gz VUJGLRAIKJDLAK-KFKAGJAMSA-N 0 1 385.460 3.200 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)cc1 ZINC001599811089 988335777 /nfs/dbraw/zinc/33/57/77/988335777.db2.gz ODZDYFPTQXBQIL-SFHVURJKSA-N 0 1 396.472 3.243 20 0 GGADMN CSc1ccc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)o1 ZINC001599813508 988380153 /nfs/dbraw/zinc/38/01/53/988380153.db2.gz WHTHNIHYWOUUPI-MMSRSVNZSA-N 0 1 381.494 3.256 20 0 GGADMN CC(C)(C)OC(=O)C1(CC[N@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])CCC1 ZINC001589854708 988391202 /nfs/dbraw/zinc/39/12/02/988391202.db2.gz GCELRHSSKHZCMX-QGZVFWFLSA-N 0 1 375.465 3.106 20 0 GGADMN CC(C)(C)OC(=O)C1(CC[N@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])CCC1 ZINC001589855518 988398122 /nfs/dbraw/zinc/39/81/22/988398122.db2.gz ULQSTKHFPAISAE-QGZVFWFLSA-N 0 1 375.465 3.409 20 0 GGADMN CC(C)(C)OC(=O)C1(CC[N@H+]2CCOc3ccccc3[C@H]2C(=O)[O-])CCC1 ZINC001589855517 988398247 /nfs/dbraw/zinc/39/82/47/988398247.db2.gz ULQSTKHFPAISAE-KRWDZBQOSA-N 0 1 375.465 3.409 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001589860215 988427236 /nfs/dbraw/zinc/42/72/36/988427236.db2.gz MYGUXSUKURJYCR-GFCCVEGCSA-N 0 1 384.270 3.311 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001589860215 988427241 /nfs/dbraw/zinc/42/72/41/988427241.db2.gz MYGUXSUKURJYCR-GFCCVEGCSA-N 0 1 384.270 3.311 20 0 GGADMN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)o2)CC1 ZINC001589861832 988446023 /nfs/dbraw/zinc/44/60/23/988446023.db2.gz NNDDBFLZFPVFFG-OAQYLSRUSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC12CC(C(=O)[O-])C2 ZINC001589865457 988458008 /nfs/dbraw/zinc/45/80/08/988458008.db2.gz AXXFMBYMEOPYKU-XNROWMOSSA-N 0 1 395.540 3.335 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2scnc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865838 988462335 /nfs/dbraw/zinc/46/23/35/988462335.db2.gz HQJJKPUXBFHXNX-GCULGPDHSA-N 0 1 386.901 3.051 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2scnc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865838 988462341 /nfs/dbraw/zinc/46/23/41/988462341.db2.gz HQJJKPUXBFHXNX-GCULGPDHSA-N 0 1 386.901 3.051 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589865980 988464051 /nfs/dbraw/zinc/46/40/51/988464051.db2.gz JCJJCLMVPKVCML-WGAFOPHPSA-N 0 1 381.419 3.219 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589865979 988464445 /nfs/dbraw/zinc/46/44/45/988464445.db2.gz JCJJCLMVPKVCML-FOCKTWCOSA-N 0 1 381.419 3.219 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589866922 988477193 /nfs/dbraw/zinc/47/71/93/988477193.db2.gz QKIDSCXQEUWLEC-CXIVCQEWSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC12CC(C(=O)[O-])C2 ZINC001589867055 988480674 /nfs/dbraw/zinc/48/06/74/988480674.db2.gz SQDDHMNWMLXRAE-PSCUFVCCSA-N 0 1 384.476 3.422 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cccc3cnccc32)CC12CC(C(=O)[O-])C2 ZINC001589867667 988491583 /nfs/dbraw/zinc/49/15/83/988491583.db2.gz ZLLICLYXQFCLJC-ZUZNIGHFSA-N 0 1 396.487 3.489 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC12CC(C(=O)[O-])C2 ZINC001589867660 988491628 /nfs/dbraw/zinc/49/16/28/988491628.db2.gz ZJSKTNKDHXFMQB-DWZCOMETSA-N 0 1 385.451 3.032 20 0 GGADMN CCc1ccccc1CC[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001597609587 988497930 /nfs/dbraw/zinc/49/79/30/988497930.db2.gz RWYMHQANMPMYOW-SFHVURJKSA-N 0 1 388.508 3.045 20 0 GGADMN CC(C)(C)OC(=O)CCC[N@@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001589873801 988522289 /nfs/dbraw/zinc/52/22/89/988522289.db2.gz BYBCDKVNFFKMAC-OAHLLOKOSA-N 0 1 398.297 3.382 20 0 GGADMN CC(C)(C)OC(=O)CCC[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001589873801 988522294 /nfs/dbraw/zinc/52/22/94/988522294.db2.gz BYBCDKVNFFKMAC-OAHLLOKOSA-N 0 1 398.297 3.382 20 0 GGADMN CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822868 988545241 /nfs/dbraw/zinc/54/52/41/988545241.db2.gz ZUFZPJOUMFYXDN-YCRPNKLZSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822866 988545632 /nfs/dbraw/zinc/54/56/32/988545632.db2.gz ZUFZPJOUMFYXDN-QVKFZJNVSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C(=O)[O-])n1C)C(C)C ZINC001599825092 988584328 /nfs/dbraw/zinc/58/43/28/988584328.db2.gz HGUNFDAXDGGASH-INIZCTEOSA-N 0 1 392.521 3.096 20 0 GGADMN CC(C)(C)OC(=O)N(CCC[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-])C1CC1 ZINC001589905726 988618015 /nfs/dbraw/zinc/61/80/15/988618015.db2.gz NJYXSAAZDUWHLD-SFHVURJKSA-N 0 1 390.480 3.296 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589929490 988685932 /nfs/dbraw/zinc/68/59/32/988685932.db2.gz CYHHFMOCNGRAIB-GDBMZVCRSA-N 0 1 396.434 3.315 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@@H]2C(=O)[O-] ZINC001589947005 988735296 /nfs/dbraw/zinc/73/52/96/988735296.db2.gz DHFZZPXZTHUDMT-UONOGXRCSA-N 0 1 388.455 3.065 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]2C(=O)[O-] ZINC001589947556 988736229 /nfs/dbraw/zinc/73/62/29/988736229.db2.gz GBZYCYOTJJWTTC-LAQIPUCWSA-N 0 1 390.455 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C\c1cccc(F)c1)C[C@@H]2C(=O)[O-] ZINC001589947596 988736342 /nfs/dbraw/zinc/73/63/42/988736342.db2.gz GGMGKXIDLFJTTD-XTKXOIQPSA-N 0 1 390.455 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C\c1cccc(F)c1)C[C@H]2C(=O)[O-] ZINC001589947595 988736626 /nfs/dbraw/zinc/73/66/26/988736626.db2.gz GGMGKXIDLFJTTD-WVRJYTFGSA-N 0 1 390.455 3.092 20 0 GGADMN CCc1nnc(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(Br)c3)CC2)[nH]1 ZINC001597663728 988744244 /nfs/dbraw/zinc/74/42/44/988744244.db2.gz RGPNHVCCGKEFMC-HNNXBMFYSA-N 0 1 393.285 3.135 20 0 GGADMN CCc1nc(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(Br)c3)CC2)n[nH]1 ZINC001597663728 988744249 /nfs/dbraw/zinc/74/42/49/988744249.db2.gz RGPNHVCCGKEFMC-HNNXBMFYSA-N 0 1 393.285 3.135 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]2C(=O)[O-] ZINC001589953677 988751981 /nfs/dbraw/zinc/75/19/81/988751981.db2.gz GNCBDOSXMZBIRQ-OAHLLOKOSA-N 0 1 380.872 3.094 20 0 GGADMN CCc1nc(C[NH+]2CCC(CNC(=O)c3ccsc3C(=O)[O-])CC2)cs1 ZINC001597669208 988758522 /nfs/dbraw/zinc/75/85/22/988758522.db2.gz XYFRBLBLOLICJN-UHFFFAOYSA-N 0 1 393.534 3.107 20 0 GGADMN CCc1nc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)sc1C(=O)[O-] ZINC001597676665 988792452 /nfs/dbraw/zinc/79/24/52/988792452.db2.gz ZMXXRRJIQPCSCX-HNNXBMFYSA-N 0 1 387.505 3.297 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972081 988808408 /nfs/dbraw/zinc/80/84/08/988808408.db2.gz QTQDVCFQVXIGBX-YOEHRIQHSA-N 0 1 377.485 3.324 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(C(=O)[O-])cs2)C1 ZINC001589972289 988813547 /nfs/dbraw/zinc/81/35/47/988813547.db2.gz ZHBBKPQFJPOPHY-ZFWWWQNUSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001589972290 988813565 /nfs/dbraw/zinc/81/35/65/988813565.db2.gz ZIAPZUDJRWOJEK-KBPBESRZSA-N 0 1 395.525 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2Cc2nc(C(=O)[O-])cs2)C1 ZINC001589972286 988813595 /nfs/dbraw/zinc/81/35/95/988813595.db2.gz ZHBBKPQFJPOPHY-DZGCQCFKSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001589973445 988816819 /nfs/dbraw/zinc/81/68/19/988816819.db2.gz DOSWNQSIEBUSBO-JOCHJYFZSA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCSC[C@H]2CC(=O)[O-])CC1 ZINC001589973780 988819422 /nfs/dbraw/zinc/81/94/22/988819422.db2.gz JCVXHHCTXMXHGC-MRXNPFEDSA-N 0 1 386.558 3.306 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001589974106 988820868 /nfs/dbraw/zinc/82/08/68/988820868.db2.gz MCKLPXUCOAEKGA-VGSWGCGISA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc(C(=O)[O-])n2)C2CC2)CC1 ZINC001589982039 988854311 /nfs/dbraw/zinc/85/43/11/988854311.db2.gz GHBKROWAOSLQPG-UHFFFAOYSA-N 0 1 375.469 3.144 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3ccc(C(=O)[O-])cn3)C2)CC1 ZINC001590002556 988919771 /nfs/dbraw/zinc/91/97/71/988919771.db2.gz BADAYLYMQOEQJD-UHFFFAOYSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590002981 988925508 /nfs/dbraw/zinc/92/55/08/988925508.db2.gz HFWICIROEKSHQI-LJQANCHMSA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590002981 988925522 /nfs/dbraw/zinc/92/55/22/988925522.db2.gz HFWICIROEKSHQI-LJQANCHMSA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCOc3cccc(C(=O)[O-])c3)CC[C@@H]21 ZINC001590003200 988928497 /nfs/dbraw/zinc/92/84/97/988928497.db2.gz AZTYTXDSPRAXSD-AEFFLSMTSA-N 0 1 390.480 3.095 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C2 ZINC001590003263 988928768 /nfs/dbraw/zinc/92/87/68/988928768.db2.gz JLKKIRVOMITYPN-FQEVSTJZSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])c(F)c1 ZINC001590003266 988929198 /nfs/dbraw/zinc/92/91/98/988929198.db2.gz BXKXADMQLYIYLA-IAGOWNOFSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(/C=C/C(=O)[O-])o3)CC[C@H]21 ZINC001590004612 988944084 /nfs/dbraw/zinc/94/40/84/988944084.db2.gz LWUYPKUJIUMTPA-CMFPSAGXSA-N 0 1 376.453 3.209 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(/C=C\C(=O)[O-])o3)CC[C@H]21 ZINC001590004614 988944320 /nfs/dbraw/zinc/94/43/20/988944320.db2.gz LWUYPKUJIUMTPA-FIXGOIDJSA-N 0 1 376.453 3.209 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004966 988946580 /nfs/dbraw/zinc/94/65/80/988946580.db2.gz NFLUCVMFPZBMLM-WMLDXEAASA-N 0 1 375.469 3.001 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001597705776 988948586 /nfs/dbraw/zinc/94/85/86/988948586.db2.gz HIBIQVKJOGROEJ-HHXXYDBFSA-N 0 1 383.492 3.476 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005287 988951517 /nfs/dbraw/zinc/95/15/17/988951517.db2.gz PJSSWAFXZXPMBA-WBVHZDCISA-N 0 1 375.469 3.001 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2CCOc2ccccc2C(=O)[O-])C1 ZINC001590006035 988957186 /nfs/dbraw/zinc/95/71/86/988957186.db2.gz ZMSVZNKHZYNYPH-NRFANRHFSA-N 0 1 390.480 3.239 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)CC[C@@H]21 ZINC001590006286 988959295 /nfs/dbraw/zinc/95/92/95/988959295.db2.gz XVXSXKXURFEAOA-HYVNUMGLSA-N 0 1 378.444 3.283 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC001590011146 988961638 /nfs/dbraw/zinc/96/16/38/988961638.db2.gz BIZGPUUSQWNODT-OAHLLOKOSA-N 0 1 390.480 3.226 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011287 988962580 /nfs/dbraw/zinc/96/25/80/988962580.db2.gz CHLXSZQHHSIPSG-GJZGRUSLSA-N 0 1 393.484 3.232 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001590011204 988962696 /nfs/dbraw/zinc/96/26/96/988962696.db2.gz BSEODQNPKNFJJE-DYVFJYSZSA-N 0 1 394.434 3.363 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001590011211 988962874 /nfs/dbraw/zinc/96/28/74/988962874.db2.gz BSEODQNPKNFJJE-SUMWQHHRSA-N 0 1 394.434 3.363 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+]([C@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024484 989010768 /nfs/dbraw/zinc/01/07/68/989010768.db2.gz AAICOKPILCDBJT-JXFKEZNVSA-N 0 1 375.469 3.073 20 0 GGADMN 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CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)[C@H](C(=O)[O-])C1 ZINC001590035453 989058663 /nfs/dbraw/zinc/05/86/63/989058663.db2.gz SZDMKWNRPZYIIU-IBGZPJMESA-N 0 1 388.508 3.461 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1CC(=O)[O-] ZINC001599860502 989159317 /nfs/dbraw/zinc/15/93/17/989159317.db2.gz KAZFADARPQGCAW-HLRQEUIKSA-N 0 1 398.547 3.494 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)C[C@@H]2C1 ZINC001590074271 989161311 /nfs/dbraw/zinc/16/13/11/989161311.db2.gz HOUCFLXPGVCNSK-HLLBOEOZSA-N 0 1 378.444 3.140 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H]1CC(=O)[O-] ZINC001599861184 989169249 /nfs/dbraw/zinc/16/92/49/989169249.db2.gz SXIPVXAMLWGQOL-MISYRCLQSA-N 0 1 399.535 3.041 20 0 GGADMN CCc1nsc(N2CCC[N@@H+](Cc3c(Cl)cccc3C(=O)[O-])CC2)n1 ZINC001597760602 989180587 /nfs/dbraw/zinc/18/05/87/989180587.db2.gz AIEPQRUUCWDNJA-UHFFFAOYSA-N 0 1 380.901 3.164 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)C[C@@H]2C1 ZINC001590091045 989204619 /nfs/dbraw/zinc/20/46/19/989204619.db2.gz BWIXGFXZJSFYAE-IJEWVQPXSA-N 0 1 380.872 3.264 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CO1 ZINC001590092027 989215577 /nfs/dbraw/zinc/21/55/77/989215577.db2.gz GIVWXXZCUBCYCS-OAHLLOKOSA-N 0 1 388.420 3.285 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2sc(C[N@@H+]3CC[C@@](F)(C(=O)[O-])C3)cc2C1 ZINC001590092922 989220872 /nfs/dbraw/zinc/22/08/72/989220872.db2.gz WBVHNQCZNQKEQN-SFHVURJKSA-N 0 1 384.473 3.040 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2sc(C[N@H+]3CC[C@@](F)(C(=O)[O-])C3)cc2C1 ZINC001590092922 989220879 /nfs/dbraw/zinc/22/08/79/989220879.db2.gz WBVHNQCZNQKEQN-SFHVURJKSA-N 0 1 384.473 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1CC(=O)[O-] ZINC001599865331 989242014 /nfs/dbraw/zinc/24/20/14/989242014.db2.gz XMEWSFLTPIANHR-SJLPKXTDSA-N 0 1 393.487 3.362 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C[C@H]1CC(=O)[O-] ZINC001599865405 989243075 /nfs/dbraw/zinc/24/30/75/989243075.db2.gz CMQVSMAQLZWKNQ-CHWSQXEVSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(I)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001599866504 989272766 /nfs/dbraw/zinc/27/27/66/989272766.db2.gz KXZTZXOHJXUHCP-PSASIEDQSA-N 0 1 379.625 3.097 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(I)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001599866504 989272774 /nfs/dbraw/zinc/27/27/74/989272774.db2.gz KXZTZXOHJXUHCP-PSASIEDQSA-N 0 1 379.625 3.097 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1CC(=O)[O-] ZINC001599867352 989290723 /nfs/dbraw/zinc/29/07/23/989290723.db2.gz RMCZDTMLRLZZIE-RKDXNWHRSA-N 0 1 386.271 3.103 20 0 GGADMN CCc1oc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)cc1C(=O)[O-] ZINC001597793010 989339257 /nfs/dbraw/zinc/33/92/57/989339257.db2.gz PVYQEVGXJJGWNK-HNNXBMFYSA-N 0 1 382.254 3.468 20 0 GGADMN CCc1oc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)cc1C(=O)[O-] ZINC001597793011 989339303 /nfs/dbraw/zinc/33/93/03/989339303.db2.gz PVYQEVGXJJGWNK-OAHLLOKOSA-N 0 1 382.254 3.468 20 0 GGADMN CC(C)(C)OC(=O)NC1(CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)CCOCC1 ZINC001590133652 989381564 /nfs/dbraw/zinc/38/15/64/989381564.db2.gz NVKBPYFMJFYJCE-UHFFFAOYSA-N 0 1 390.480 3.164 20 0 GGADMN CCc1oc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC001597799854 989387286 /nfs/dbraw/zinc/38/72/86/989387286.db2.gz UQSGRRSLXBKDKD-CQSZACIVSA-N 0 1 386.217 3.265 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C2 ZINC001590137809 989387681 /nfs/dbraw/zinc/38/76/81/989387681.db2.gz DMMKYZOBWQXGKA-MIMSMNLDSA-N 0 1 376.453 3.257 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C2 ZINC001590137817 989387728 /nfs/dbraw/zinc/38/77/28/989387728.db2.gz DMMKYZOBWQXGKA-ZHYYLITRSA-N 0 1 376.453 3.257 20 0 GGADMN CCc1oc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1C(=O)[O-] ZINC001597800218 989390590 /nfs/dbraw/zinc/39/05/90/989390590.db2.gz ZAKCFZIZWYKIRR-CTNGQTDRSA-N 0 1 384.476 3.016 20 0 GGADMN CCc1oc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1C(=O)[O-] ZINC001597800229 989390779 /nfs/dbraw/zinc/39/07/79/989390779.db2.gz ZAKCFZIZWYKIRR-TZIWHRDSSA-N 0 1 384.476 3.016 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCC(C)(C)C(=O)[O-])C2)C1 ZINC001590146531 989418674 /nfs/dbraw/zinc/41/86/74/989418674.db2.gz COKWBIGIDVRVQF-BRWVUGGUSA-N 0 1 398.544 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCCC(=O)[O-])C1 ZINC001590147968 989436039 /nfs/dbraw/zinc/43/60/39/989436039.db2.gz SVFIMJUBLRNLQT-BRWVUGGUSA-N 0 1 384.517 3.168 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001590168567 989488547 /nfs/dbraw/zinc/48/85/47/989488547.db2.gz HORKXSGHEWPSDW-GRPXPVQZSA-N 0 1 376.453 3.257 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC001590176134 989501700 /nfs/dbraw/zinc/50/17/00/989501700.db2.gz AZFGHWSVFWKAEU-CQSZACIVSA-N 0 1 398.887 3.154 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC001590176134 989501707 /nfs/dbraw/zinc/50/17/07/989501707.db2.gz AZFGHWSVFWKAEU-CQSZACIVSA-N 0 1 398.887 3.154 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@H]1C(F)(F)F ZINC001590176786 989510032 /nfs/dbraw/zinc/51/00/32/989510032.db2.gz LHYUOYPASOBUJL-QWHCGFSZSA-N 0 1 382.423 3.266 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001599883894 989523014 /nfs/dbraw/zinc/52/30/14/989523014.db2.gz QFYZDABKNHUGKA-QHCPKHFHSA-N 0 1 380.488 3.264 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001599883894 989523022 /nfs/dbraw/zinc/52/30/22/989523022.db2.gz QFYZDABKNHUGKA-QHCPKHFHSA-N 0 1 380.488 3.264 20 0 GGADMN CCn1c([C@H]2CCCC[N@H+]2C2CCCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001597847589 989568106 /nfs/dbraw/zinc/56/81/06/989568106.db2.gz KLJXUMYBRIQYQJ-UZLBHIALSA-N 0 1 375.517 3.069 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001590205879 989574778 /nfs/dbraw/zinc/57/47/78/989574778.db2.gz BKGHXWHFIGXMSE-OAHLLOKOSA-N 0 1 378.469 3.143 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+](CCC(=O)[O-])C2CCOCC2)CC1 ZINC001590206192 989577120 /nfs/dbraw/zinc/57/71/20/989577120.db2.gz HLIWPFQBOSUZAX-QAQDUYKDSA-N 0 1 398.544 3.273 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@@](CC)(COC)C(=O)[O-])ccc21 ZINC001597868223 989659523 /nfs/dbraw/zinc/65/95/23/989659523.db2.gz CSGBMKOMCIYBSU-QFIPXVFZSA-N 0 1 397.475 3.222 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)C1 ZINC001590264710 989660698 /nfs/dbraw/zinc/66/06/98/989660698.db2.gz VRMHENCQSSQXGH-IGQOVBAYSA-N 0 1 394.434 3.265 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])C[C@H]1c1ccccc1 ZINC001590267317 989661974 /nfs/dbraw/zinc/66/19/74/989661974.db2.gz ACUJFJZOKQCMKQ-DLBZAZTESA-N 0 1 386.448 3.471 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C(=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001590267428 989663009 /nfs/dbraw/zinc/66/30/09/989663009.db2.gz FAFITXWQWZEUQJ-RBUKOAKNSA-N 0 1 397.475 3.273 20 0 GGADMN CCn1c2ccccc2c2cc(C[N@@H+](C)[C@H]3CCN(CCC(=O)[O-])C3=O)ccc21 ZINC001597869370 989667292 /nfs/dbraw/zinc/66/72/92/989667292.db2.gz ZWERQNRYKLAQFC-NRFANRHFSA-N 0 1 393.487 3.322 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001590284119 989696075 /nfs/dbraw/zinc/69/60/75/989696075.db2.gz YOTFSRRQRPNELI-NLZINVLXSA-N 0 1 390.480 3.152 20 0 GGADMN CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCC[C@@H]2C(=O)[O-])cn1 ZINC001597882164 989710256 /nfs/dbraw/zinc/71/02/56/989710256.db2.gz KCZKVEUVOJMGLB-SESVDKBCSA-N 0 1 385.508 3.330 20 0 GGADMN CCn1cc(CC[N@@H+](C(C)C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cn1 ZINC001597885351 989724180 /nfs/dbraw/zinc/72/41/80/989724180.db2.gz CZTQCXUZDYJONO-CQSZACIVSA-N 0 1 392.525 3.251 20 0 GGADMN 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C[NH+](C)[C@H](C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1)c1cccc(Cl)c1 ZINC001598162539 990661382 /nfs/dbraw/zinc/66/13/82/990661382.db2.gz HCKCYFPCEPFJLA-KRWDZBQOSA-N 0 1 391.855 3.035 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC001598162628 990662514 /nfs/dbraw/zinc/66/25/14/990662514.db2.gz ICEUKIPBVRRIKQ-YLJYHZDGSA-N 0 1 392.858 3.284 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001598162662 990662769 /nfs/dbraw/zinc/66/27/69/990662769.db2.gz JAEAABWXXIOAFJ-GHTZIAJQSA-N 0 1 386.879 3.198 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001598162664 990662863 /nfs/dbraw/zinc/66/28/63/990662863.db2.gz JAEAABWXXIOAFJ-RXVVDRJESA-N 0 1 386.879 3.198 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC001598171535 990706821 /nfs/dbraw/zinc/70/68/21/990706821.db2.gz VNLWYJKIOFXKKX-GOSISDBHSA-N 0 1 389.883 3.069 20 0 GGADMN CC(C)([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1nocc1C(=O)[O-] ZINC001590870950 990774166 /nfs/dbraw/zinc/77/41/66/990774166.db2.gz SVYGEFGOSNGLPY-UHFFFAOYSA-N 0 1 385.342 3.245 20 0 GGADMN CC(C)([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1cc(C(=O)[O-])on1 ZINC001590871011 990774994 /nfs/dbraw/zinc/77/49/94/990774994.db2.gz VCCDDNXFCFLQAD-XMMPIXPASA-N 0 1 391.276 3.312 20 0 GGADMN C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001598230604 990932779 /nfs/dbraw/zinc/93/27/79/990932779.db2.gz DHLNUXHMEJMUOR-UHFFFAOYSA-N 0 1 398.484 3.295 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938489 990963578 /nfs/dbraw/zinc/96/35/78/990963578.db2.gz FRYCWJSRCGCXNK-CJNGLKHVSA-N 0 1 386.414 3.315 20 0 GGADMN C[NH+](C)Cc1cc(NC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)ccn1 ZINC001598247209 991017434 /nfs/dbraw/zinc/01/74/34/991017434.db2.gz PWPBEEDVLIRBSG-MRXNPFEDSA-N 0 1 376.501 3.469 20 0 GGADMN CN(C)Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)c2c1OC(F)(F)O2 ZINC001598252028 991029781 /nfs/dbraw/zinc/02/97/81/991029781.db2.gz AAOUWTHKLBWNJF-CYBMUJFWSA-N 0 1 384.404 3.047 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001590981547 991142026 /nfs/dbraw/zinc/14/20/26/991142026.db2.gz WMYSDJIDISLWTF-OAQYLSRUSA-N 0 1 397.519 3.270 20 0 GGADMN CC(C)[C@H](CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001590982451 991151166 /nfs/dbraw/zinc/15/11/66/991151166.db2.gz ODHTYZOXFGYTLY-FDFHNCONSA-N 0 1 394.515 3.343 20 0 GGADMN COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001599698486 991183939 /nfs/dbraw/zinc/18/39/39/991183939.db2.gz NUZHOEDNKCHFDP-NQYYFHDYSA-N 0 1 388.508 3.180 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[NH+]1CCOCC1 ZINC001590988930 991191771 /nfs/dbraw/zinc/19/17/71/991191771.db2.gz PWUZMSJJYUTPSU-IBGZPJMESA-N 0 1 385.464 3.016 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699108 991192597 /nfs/dbraw/zinc/19/25/97/991192597.db2.gz VNEUVDIXBMEDKU-CABCVRRESA-N 0 1 382.460 3.017 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699108 991192598 /nfs/dbraw/zinc/19/25/98/991192598.db2.gz VNEUVDIXBMEDKU-CABCVRRESA-N 0 1 382.460 3.017 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699110 991192832 /nfs/dbraw/zinc/19/28/32/991192832.db2.gz VNEUVDIXBMEDKU-HUUCEWRRSA-N 0 1 382.460 3.017 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699110 991192837 /nfs/dbraw/zinc/19/28/37/991192837.db2.gz VNEUVDIXBMEDKU-HUUCEWRRSA-N 0 1 382.460 3.017 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001590992871 991208944 /nfs/dbraw/zinc/20/89/44/991208944.db2.gz BXSUZJNFNPQTTF-INIZCTEOSA-N 0 1 393.484 3.047 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002156 991262210 /nfs/dbraw/zinc/26/22/10/991262210.db2.gz OROXLLAONDEIGV-APWZRJJASA-N 0 1 378.488 3.462 20 0 GGADMN CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002158 991262742 /nfs/dbraw/zinc/26/27/42/991262742.db2.gz OROXLLAONDEIGV-QFBILLFUSA-N 0 1 378.488 3.462 20 0 GGADMN CN(C)c1ccccc1C[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001598342356 991411098 /nfs/dbraw/zinc/41/10/98/991411098.db2.gz LJHOMGYATPSHQL-HXUWFJFHSA-N 0 1 387.911 3.350 20 0 GGADMN CN(C)c1ccccc1C[NH+]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001598342354 991411180 /nfs/dbraw/zinc/41/11/80/991411180.db2.gz LJHOMGYATPSHQL-FQEVSTJZSA-N 0 1 387.911 3.350 20 0 GGADMN COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599714223 991425358 /nfs/dbraw/zinc/42/53/58/991425358.db2.gz DYIKYEAKJCPZGG-DYVFJYSZSA-N 0 1 382.416 3.054 20 0 GGADMN COc1ccccc1N1CCC[N@@H+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC001599714919 991436854 /nfs/dbraw/zinc/43/68/54/991436854.db2.gz PJVVEEUBZLPELS-QGZVFWFLSA-N 0 1 384.476 3.259 20 0 GGADMN COc1ccccc1N1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001599714968 991438111 /nfs/dbraw/zinc/43/81/11/991438111.db2.gz QWLUOWUVYCNWGJ-INIZCTEOSA-N 0 1 399.491 3.122 20 0 GGADMN COc1ccccc1N1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001599714968 991438117 /nfs/dbraw/zinc/43/81/17/991438117.db2.gz QWLUOWUVYCNWGJ-INIZCTEOSA-N 0 1 399.491 3.122 20 0 GGADMN COc1ccccc1O[C@H]1CCC[N@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC001599715108 991441051 /nfs/dbraw/zinc/44/10/51/991441051.db2.gz MTRVPMUGIJLZEF-HNNXBMFYSA-N 0 1 381.432 3.244 20 0 GGADMN COc1ccccc1O[C@H]1CCC[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC001599715108 991441055 /nfs/dbraw/zinc/44/10/55/991441055.db2.gz MTRVPMUGIJLZEF-HNNXBMFYSA-N 0 1 381.432 3.244 20 0 GGADMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001599715438 991445684 /nfs/dbraw/zinc/44/56/84/991445684.db2.gz OIKYSDOUJTUGMD-STQMWFEESA-N 0 1 389.477 3.262 20 0 GGADMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001599715438 991445689 /nfs/dbraw/zinc/44/56/89/991445689.db2.gz OIKYSDOUJTUGMD-STQMWFEESA-N 0 1 389.477 3.262 20 0 GGADMN COc1ccccc1NC(=O)C[NH+]1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001599716029 991456657 /nfs/dbraw/zinc/45/66/57/991456657.db2.gz YEBXJLFNTFGXSU-UHFFFAOYSA-N 0 1 382.460 3.287 20 0 GGADMN CN(C)c1ncc(C[N@H+]2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])c2ccccc21 ZINC001598358821 991482455 /nfs/dbraw/zinc/48/24/55/991482455.db2.gz AGHGJBMHZZCXNO-FQEVSTJZSA-N 0 1 377.444 3.018 20 0 GGADMN CN(C)c1ncnc(Cl)c1C[NH2+][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598360223 991500094 /nfs/dbraw/zinc/50/00/94/991500094.db2.gz PRVCICIAMJEGSM-LBPRGKRZSA-N 0 1 388.777 3.130 20 0 GGADMN CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1ccc3sc(C(=O)[O-])cc3c1)n2C ZINC001598365111 991513513 /nfs/dbraw/zinc/51/35/13/991513513.db2.gz IEZTWBBQELEXTE-UHFFFAOYSA-N 0 1 395.444 3.200 20 0 GGADMN COc1ccnc(N2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)c1 ZINC001599721429 991545799 /nfs/dbraw/zinc/54/57/99/991545799.db2.gz KPHIZQMPOYSDOO-UHFFFAOYSA-N 0 1 393.443 3.371 20 0 GGADMN C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC001598379426 991574429 /nfs/dbraw/zinc/57/44/29/991574429.db2.gz RRSVGOUOYUFQLU-UHFFFAOYSA-N 0 1 384.354 3.001 20 0 GGADMN C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC001598379426 991574439 /nfs/dbraw/zinc/57/44/39/991574439.db2.gz RRSVGOUOYUFQLU-UHFFFAOYSA-N 0 1 384.354 3.001 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])[C@H]1CCSC1 ZINC001598397672 991675561 /nfs/dbraw/zinc/67/55/61/991675561.db2.gz MXCZZKULOJXKKH-LBPRGKRZSA-N 0 1 388.942 3.283 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])[C@H]1CCSC1 ZINC001598397672 991675565 /nfs/dbraw/zinc/67/55/65/991675565.db2.gz MXCZZKULOJXKKH-LBPRGKRZSA-N 0 1 388.942 3.283 20 0 GGADMN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598397851 991678820 /nfs/dbraw/zinc/67/88/20/991678820.db2.gz XVXPDUUKAJODQJ-RTBURBONSA-N 0 1 386.423 3.315 20 0 GGADMN C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001598399115 991680438 /nfs/dbraw/zinc/68/04/38/991680438.db2.gz APXLVPVPSBNIGA-QAPCUYQASA-N 0 1 388.489 3.485 20 0 GGADMN C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001598399119 991680761 /nfs/dbraw/zinc/68/07/61/991680761.db2.gz APXLVPVPSBNIGA-YJBOKZPZSA-N 0 1 388.489 3.485 20 0 GGADMN C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001598399420 991682124 /nfs/dbraw/zinc/68/21/24/991682124.db2.gz HECAUOXNHKQBLC-DLBZAZTESA-N 0 1 387.505 3.367 20 0 GGADMN CN(CC(=O)[O-])C(=O)CC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001598404597 991711245 /nfs/dbraw/zinc/71/12/45/991711245.db2.gz JBKFYJVQFWIGRI-OAHLLOKOSA-N 0 1 386.414 3.206 20 0 GGADMN CC(C)CC(=O)N1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001591106270 991737884 /nfs/dbraw/zinc/73/78/84/991737884.db2.gz DSGJJOCSSITLTE-KRWDZBQOSA-N 0 1 386.414 3.412 20 0 GGADMN CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001591106316 991737956 /nfs/dbraw/zinc/73/79/56/991737956.db2.gz FKIXMXURHJLLOQ-QGZVFWFLSA-N 0 1 397.313 3.155 20 0 GGADMN CC(C)CC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC001591106316 991737964 /nfs/dbraw/zinc/73/79/64/991737964.db2.gz FKIXMXURHJLLOQ-QGZVFWFLSA-N 0 1 397.313 3.155 20 0 GGADMN C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598426517 991781713 /nfs/dbraw/zinc/78/17/13/991781713.db2.gz UGUKCLFVFILLFS-SJLPKXTDSA-N 0 1 378.266 3.414 20 0 GGADMN CC(C)C[C@H](C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccc(Cl)cc1 ZINC001591118542 991783798 /nfs/dbraw/zinc/78/37/98/991783798.db2.gz UWUFUWCMKPNXII-YJBOKZPZSA-N 0 1 380.916 3.477 20 0 GGADMN C[N@@H+](C[C@H](O)CC1(CO)CCCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598432052 991795477 /nfs/dbraw/zinc/79/54/77/991795477.db2.gz AJGDAXQCIRBCFS-CJNGLKHVSA-N 0 1 390.307 3.355 20 0 GGADMN C[N@@H+](C[C@@H](O)CC1(O)CCCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598432328 991799902 /nfs/dbraw/zinc/79/99/02/991799902.db2.gz DTFRWPOUPZXLTI-XJKSGUPXSA-N 0 1 390.307 3.497 20 0 GGADMN C[N@@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598432919 991806708 /nfs/dbraw/zinc/80/67/08/991806708.db2.gz PJKIERFHWWSNCE-LSBZLQRGSA-N 0 1 397.393 3.036 20 0 GGADMN C[N@@H+](C[C@H](O)CC[C@H](O)c1ccccc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598432917 991806973 /nfs/dbraw/zinc/80/69/73/991806973.db2.gz PJKIERFHWWSNCE-DKSSEZFCSA-N 0 1 397.393 3.036 20 0 GGADMN C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598436133 991825745 /nfs/dbraw/zinc/82/57/45/991825745.db2.gz CCWYJUWRBJQUHZ-DYVFJYSZSA-N 0 1 387.785 3.418 20 0 GGADMN C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H](C(=O)[O-])c1ccsc1 ZINC001598436178 991825814 /nfs/dbraw/zinc/82/58/14/991825814.db2.gz CSWSOHQIWYRCFK-DOMZBBRYSA-N 0 1 389.395 3.264 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)[C@H](C(=O)[O-])c1ccsc1 ZINC001598436178 991825819 /nfs/dbraw/zinc/82/58/19/991825819.db2.gz CSWSOHQIWYRCFK-DOMZBBRYSA-N 0 1 389.395 3.264 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740300 991839183 /nfs/dbraw/zinc/83/91/83/991839183.db2.gz NMJNAQAUMJKKGF-KBPBESRZSA-N 0 1 380.441 3.077 20 0 GGADMN COc1nsc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c1C(=O)[O-] ZINC001599740461 991844256 /nfs/dbraw/zinc/84/42/56/991844256.db2.gz UCUZWQSNUMPIJO-INIZCTEOSA-N 0 1 389.521 3.192 20 0 GGADMN COc1nsc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C(=O)[O-] ZINC001599740470 991844290 /nfs/dbraw/zinc/84/42/90/991844290.db2.gz UFUCQNLISPORHK-CQSZACIVSA-N 0 1 381.542 3.326 20 0 GGADMN COc1nsc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C(=O)[O-] ZINC001599740470 991844301 /nfs/dbraw/zinc/84/43/01/991844301.db2.gz UFUCQNLISPORHK-CQSZACIVSA-N 0 1 381.542 3.326 20 0 GGADMN COc1nsc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740643 991847842 /nfs/dbraw/zinc/84/78/42/991847842.db2.gz AKOUMIQKABNWBD-CQSZACIVSA-N 0 1 382.457 3.181 20 0 GGADMN C[N@@H+](C[C@@]1(O)CCc2ccccc21)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598443894 991874402 /nfs/dbraw/zinc/87/44/02/991874402.db2.gz LOGYDVALZOXUPR-MJGOQNOKSA-N 0 1 390.277 3.341 20 0 GGADMN C[N@@H+](C[C@]1(O)CCc2ccccc21)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598443895 991874678 /nfs/dbraw/zinc/87/46/78/991874678.db2.gz LOGYDVALZOXUPR-PKOBYXMFSA-N 0 1 390.277 3.341 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C(C)C)C(=O)[O-] ZINC001591162742 991925306 /nfs/dbraw/zinc/92/53/06/991925306.db2.gz XHGDWJDGVFKAEY-MRXNPFEDSA-N 0 1 399.329 3.275 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001599746998 991941688 /nfs/dbraw/zinc/94/16/88/991941688.db2.gz XGRXUOKMFMIBSM-HNNXBMFYSA-N 0 1 377.462 3.044 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001599746998 991941692 /nfs/dbraw/zinc/94/16/92/991941692.db2.gz XGRXUOKMFMIBSM-HNNXBMFYSA-N 0 1 377.462 3.044 20 0 GGADMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001598460015 991944154 /nfs/dbraw/zinc/94/41/54/991944154.db2.gz DSUAMECNTMEPLJ-HNNXBMFYSA-N 0 1 384.436 3.130 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC001598460455 991949097 /nfs/dbraw/zinc/94/90/97/991949097.db2.gz QPKZQBDCADBWBY-INIZCTEOSA-N 0 1 392.496 3.343 20 0 GGADMN C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001598461149 991954717 /nfs/dbraw/zinc/95/47/17/991954717.db2.gz CPMNMIXWQKEKHG-FPOVZHCZSA-N 0 1 394.471 3.398 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170796 991957418 /nfs/dbraw/zinc/95/74/18/991957418.db2.gz QZZCOEHLWYYLOD-LEWJYISDSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170796 991957425 /nfs/dbraw/zinc/95/74/25/991957425.db2.gz QZZCOEHLWYYLOD-LEWJYISDSA-N 0 1 380.488 3.250 20 0 GGADMN C[N@@H+](C[C@H]1CN(c2ccccc2)CCO1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598467706 991977957 /nfs/dbraw/zinc/97/79/57/991977957.db2.gz OQAPQGYGBHFAJJ-HNAYVOBHSA-N 0 1 394.393 3.067 20 0 GGADMN C[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598468100 991982410 /nfs/dbraw/zinc/98/24/10/991982410.db2.gz SLXBNWJYSBOKKD-HNNXBMFYSA-N 0 1 388.386 3.028 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccnc1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598469387 992001052 /nfs/dbraw/zinc/00/10/52/992001052.db2.gz FJBCGHRJCNXFEH-INIZCTEOSA-N 0 1 382.247 3.475 20 0 GGADMN C[N@@H+](CCC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC001598469439 992001593 /nfs/dbraw/zinc/00/15/93/992001593.db2.gz AMTNGOMVUOMEKB-ZWKOTPCHSA-N 0 1 394.462 3.246 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598469783 992007917 /nfs/dbraw/zinc/00/79/17/992007917.db2.gz WLYSJJKEOYNJIX-IZAXUBKRSA-N 0 1 382.460 3.389 20 0 GGADMN CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591197439 992018416 /nfs/dbraw/zinc/01/84/16/992018416.db2.gz HCBYFXBJUIFKSY-FQEVSTJZSA-N 0 1 394.537 3.137 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591211054 992050141 /nfs/dbraw/zinc/05/01/41/992050141.db2.gz OEZMTJSSUYCFAQ-KRWDZBQOSA-N 0 1 379.526 3.198 20 0 GGADMN CN(CCC[N@@H+](C)Cc1cc(C(=O)[O-])c2n1CCCC2)C(=O)OC(C)(C)C ZINC001598477325 992097527 /nfs/dbraw/zinc/09/75/27/992097527.db2.gz LKXOVAWECHVZNA-UHFFFAOYSA-N 0 1 379.501 3.211 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)Cc1oc(Br)cc1C(=O)[O-] ZINC001598477602 992099540 /nfs/dbraw/zinc/09/95/40/992099540.db2.gz BHAJMOOPKAKNAH-UHFFFAOYSA-N 0 1 385.258 3.287 20 0 GGADMN CN(CCC[N@@H+](C)Cc1oc(Br)cc1C(=O)[O-])Cc1ccco1 ZINC001598477602 992099553 /nfs/dbraw/zinc/09/95/53/992099553.db2.gz BHAJMOOPKAKNAH-UHFFFAOYSA-N 0 1 385.258 3.287 20 0 GGADMN CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCCn3ccc(C(=O)[O-])n3)c2C1 ZINC001591245731 992138931 /nfs/dbraw/zinc/13/89/31/992138931.db2.gz CHVFWPBBDVJVCP-UHFFFAOYSA-N 0 1 384.480 3.362 20 0 GGADMN C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC001598487515 992227235 /nfs/dbraw/zinc/22/72/35/992227235.db2.gz TVDFWOMOUYMWCO-OYRHEFFESA-N 0 1 380.488 3.258 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591313670 992278454 /nfs/dbraw/zinc/27/84/54/992278454.db2.gz FNDJGXOXPMIJNH-OAHLLOKOSA-N 0 1 381.542 3.161 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591313670 992278462 /nfs/dbraw/zinc/27/84/62/992278462.db2.gz FNDJGXOXPMIJNH-OAHLLOKOSA-N 0 1 381.542 3.161 20 0 GGADMN C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1Br ZINC001598490775 992287162 /nfs/dbraw/zinc/28/71/62/992287162.db2.gz FFZBPNCFNWBYFN-CYBMUJFWSA-N 0 1 387.274 3.031 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1Br ZINC001598490775 992287172 /nfs/dbraw/zinc/28/71/72/992287172.db2.gz FFZBPNCFNWBYFN-CYBMUJFWSA-N 0 1 387.274 3.031 20 0 GGADMN C[N@@H+](CCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)CC(=O)[O-] ZINC001598493069 992328704 /nfs/dbraw/zinc/32/87/04/992328704.db2.gz WXGALRHPSUSPDV-UHFFFAOYSA-N 0 1 397.862 3.301 20 0 GGADMN CC(C)C[N@H+](Cn1nc(-c2ccccc2F)ccc1=O)CC(C)(C)C(=O)[O-] ZINC001591349741 992335420 /nfs/dbraw/zinc/33/54/20/992335420.db2.gz RFPKQCAKQLBWSS-UHFFFAOYSA-N 0 1 375.444 3.076 20 0 GGADMN CC(C)C[N@@H+](Cn1nc(-c2ccccc2F)ccc1=O)CC(C)(C)C(=O)[O-] ZINC001591349741 992335431 /nfs/dbraw/zinc/33/54/31/992335431.db2.gz RFPKQCAKQLBWSS-UHFFFAOYSA-N 0 1 375.444 3.076 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001591355886 992347534 /nfs/dbraw/zinc/34/75/34/992347534.db2.gz DOCPYQQEHKWVGA-APWZRJJASA-N 0 1 387.524 3.082 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001591357014 992352023 /nfs/dbraw/zinc/35/20/23/992352023.db2.gz QHGNJZVCMWZWRT-HNNXBMFYSA-N 0 1 377.485 3.271 20 0 GGADMN C[N@@H+](CCNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)CC(=O)[O-] ZINC001598495658 992356042 /nfs/dbraw/zinc/35/60/42/992356042.db2.gz NWOSSZFVBSAPFT-UHFFFAOYSA-N 0 1 394.802 3.320 20 0 GGADMN C[N@@H+](CCOC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])Cc1ccc(F)cc1 ZINC001598496708 992375437 /nfs/dbraw/zinc/37/54/37/992375437.db2.gz ABRVVHFNKOXILS-UHFFFAOYSA-N 0 1 384.407 3.223 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001598498898 992403233 /nfs/dbraw/zinc/40/32/33/992403233.db2.gz VJEOAGBEPNCARQ-PYUISTEWSA-N 0 1 390.480 3.104 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001591378463 992416550 /nfs/dbraw/zinc/41/65/50/992416550.db2.gz IQIFWCNLSKRHQT-INIZCTEOSA-N 0 1 387.505 3.217 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001591378508 992417313 /nfs/dbraw/zinc/41/73/13/992417313.db2.gz MBWZTDDWCDBDPG-LEWJYISDSA-N 0 1 396.487 3.078 20 0 GGADMN C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001598499822 992419118 /nfs/dbraw/zinc/41/91/18/992419118.db2.gz PCBZGPPUMWTTIC-UHFFFAOYSA-N 0 1 393.443 3.476 20 0 GGADMN C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598500474 992428329 /nfs/dbraw/zinc/42/83/29/992428329.db2.gz BHXFDYGNWBYICT-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598500474 992428337 /nfs/dbraw/zinc/42/83/37/992428337.db2.gz BHXFDYGNWBYICT-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCSc1nc2ccccc2c(=O)n1CCC(=O)[O-])Cc1ccccc1 ZINC001598500457 992428717 /nfs/dbraw/zinc/42/87/17/992428717.db2.gz ADXIDNOCHSECNH-UHFFFAOYSA-N 0 1 397.500 3.095 20 0 GGADMN C[N@@H+](CCS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)Cc1ccccc1 ZINC001598500748 992433151 /nfs/dbraw/zinc/43/31/51/992433151.db2.gz WHSPFRPLQYAVRU-INIZCTEOSA-N 0 1 390.530 3.417 20 0 GGADMN C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001598501035 992435488 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C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593194731 994140353 /nfs/dbraw/zinc/14/03/53/994140353.db2.gz MFDAGBHAMWEMGE-SJKOYZFVSA-N 0 1 396.896 3.067 20 0 GGADMN C[N@H+]1C[C@@H](CNCc2oc(Br)cc2C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001598628727 994140612 /nfs/dbraw/zinc/14/06/12/994140612.db2.gz SHMWWOVQTQAGJJ-HIFRSBDPSA-N 0 1 393.281 3.175 20 0 GGADMN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593194729 994140704 /nfs/dbraw/zinc/14/07/04/994140704.db2.gz MFDAGBHAMWEMGE-PXAZEXFGSA-N 0 1 396.896 3.067 20 0 GGADMN C[N@H+]1C[C@@H]2CCCN(Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)[C@@H]2C1 ZINC001598628766 994141941 /nfs/dbraw/zinc/14/19/41/994141941.db2.gz VGRQDFYXWARXEF-PZJWPPBQSA-N 0 1 380.488 3.490 20 0 GGADMN C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3SCCC(=O)[O-])C[C@]2(C)C1 ZINC001598628923 994144922 /nfs/dbraw/zinc/14/49/22/994144922.db2.gz GLNCSFCMPKHKAY-XIKOKIGWSA-N 0 1 397.928 3.322 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(C(=O)[O-])o1 ZINC001593196250 994153265 /nfs/dbraw/zinc/15/32/65/994153265.db2.gz GYIVBSAAHOMIAD-STQMWFEESA-N 0 1 376.428 3.490 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599628188 994179179 /nfs/dbraw/zinc/17/91/79/994179179.db2.gz GZENMKMJNJUANB-LAUBAEHRSA-N 0 1 385.460 3.143 20 0 GGADMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001598632633 994195021 /nfs/dbraw/zinc/19/50/21/994195021.db2.gz HJURRVMLYLDCGJ-BXUZGUMPSA-N 0 1 399.196 3.120 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)N1CCc2sccc2C1 ZINC001593208182 994221835 /nfs/dbraw/zinc/22/18/35/994221835.db2.gz GUHBVXSTRJPQED-DYVFJYSZSA-N 0 1 398.484 3.053 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC001593209009 994233960 /nfs/dbraw/zinc/23/39/60/994233960.db2.gz GWNZFPZENSNOLH-RKDXNWHRSA-N 0 1 383.832 3.090 20 0 GGADMN COc1ccc2c(c1)[nH+]c(NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)n2Cc1ccccc1 ZINC001599634005 994260345 /nfs/dbraw/zinc/26/03/45/994260345.db2.gz QSQPTLYIKPBORI-PBHICJAKSA-N 0 1 387.386 3.471 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599635329 994278770 /nfs/dbraw/zinc/27/87/70/994278770.db2.gz MJAMQMWVSFAWFW-MWTRTKDXSA-N 0 1 398.503 3.382 20 0 GGADMN C[C@@H](NC1CC[NH+](CCCC(=O)[O-])CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001593220599 994313766 /nfs/dbraw/zinc/31/37/66/994313766.db2.gz UMVVUJBPSAGLEC-KZULUSFZSA-N 0 1 389.323 3.334 20 0 GGADMN C[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001593220599 994313770 /nfs/dbraw/zinc/31/37/70/994313770.db2.gz UMVVUJBPSAGLEC-KZULUSFZSA-N 0 1 389.323 3.334 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc(C(=O)[O-])co1 ZINC001593230804 994367006 /nfs/dbraw/zinc/36/70/06/994367006.db2.gz GDPSKIAONCDACQ-MFKMUULPSA-N 0 1 382.338 3.453 20 0 GGADMN CC(C)n1cc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cn1 ZINC001593239078 994421173 /nfs/dbraw/zinc/42/11/73/994421173.db2.gz BBLTYFOQNWPAAH-LBPRGKRZSA-N 0 1 390.509 3.392 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)c1 ZINC001599647010 994440031 /nfs/dbraw/zinc/44/00/31/994440031.db2.gz LTNSDGRKAROJCV-GOSISDBHSA-N 0 1 376.840 3.435 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001599647370 994443952 /nfs/dbraw/zinc/44/39/52/994443952.db2.gz PZQFRKKONXTIES-WMLDXEAASA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001599647755 994449256 /nfs/dbraw/zinc/44/92/56/994449256.db2.gz VUYCDUQHQXVOLU-SFHVURJKSA-N 0 1 392.496 3.400 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001599650659 994494091 /nfs/dbraw/zinc/49/40/91/994494091.db2.gz NRGIFZJJGKPPOD-VBQJREDUSA-N 0 1 378.469 3.151 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650785 994495720 /nfs/dbraw/zinc/49/57/20/994495720.db2.gz OAAXGUZWENQIFK-WBVHZDCISA-N 0 1 378.469 3.152 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650929 994497579 /nfs/dbraw/zinc/49/75/79/994497579.db2.gz QIYZOCVCQQYBCI-YOEHRIQHSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650926 994497821 /nfs/dbraw/zinc/49/78/21/994497821.db2.gz QIYZOCVCQQYBCI-PBHICJAKSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)c1 ZINC001599651196 994502899 /nfs/dbraw/zinc/50/28/99/994502899.db2.gz URTNSGIILVQRPY-LBKMDBTOSA-N 0 1 390.480 3.343 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001599651390 994507893 /nfs/dbraw/zinc/50/78/93/994507893.db2.gz XTVBAXWVNZGENU-YXJHDRRASA-N 0 1 392.496 3.446 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 ZINC001599651451 994508893 /nfs/dbraw/zinc/50/88/93/994508893.db2.gz UOKWGJJLFNOAOW-INIZCTEOSA-N 0 1 394.349 3.338 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 ZINC001599651451 994508905 /nfs/dbraw/zinc/50/89/05/994508905.db2.gz UOKWGJJLFNOAOW-INIZCTEOSA-N 0 1 394.349 3.338 20 0 GGADMN CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Br)ccc2C(=O)[O-])cc1 ZINC001598658112 994555197 /nfs/dbraw/zinc/55/51/97/994555197.db2.gz UNSUXFRHQSUTIT-UHFFFAOYSA-N 0 1 391.265 3.139 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)c1 ZINC001599655422 994571817 /nfs/dbraw/zinc/57/18/17/994571817.db2.gz QMEZSDWKWWUHTG-MSOLQXFVSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1 ZINC001599655423 994572076 /nfs/dbraw/zinc/57/20/76/994572076.db2.gz QMEZSDWKWWUHTG-QZTJIDSGSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cccc([C@@H](O)C2CC[NH+](Cc3nc4cc(C(=O)[O-])ccc4[nH]3)CC2)c1 ZINC001599660401 994647724 /nfs/dbraw/zinc/64/77/24/994647724.db2.gz RXXVCKGJLRQJET-NRFANRHFSA-N 0 1 395.459 3.215 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599664684 994709950 /nfs/dbraw/zinc/70/99/50/994709950.db2.gz CMELJDMZMYHTSB-YLJYHZDGSA-N 0 1 397.475 3.046 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593298326 994714553 /nfs/dbraw/zinc/71/45/53/994714553.db2.gz IGEPHGPUSJURBG-LBPRGKRZSA-N 0 1 397.880 3.058 20 0 GGADMN C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(OCC[NH+](C)C)cc1 ZINC001593299073 994719423 /nfs/dbraw/zinc/71/94/23/994719423.db2.gz QDXXEJKBDAFVPZ-CYBMUJFWSA-N 0 1 377.872 3.224 20 0 GGADMN C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(OCC[NH+](C)C)cc1 ZINC001593299075 994719560 /nfs/dbraw/zinc/71/95/60/994719560.db2.gz QDXXEJKBDAFVPZ-ZDUSSCGKSA-N 0 1 377.872 3.224 20 0 GGADMN COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666742 994742618 /nfs/dbraw/zinc/74/26/18/994742618.db2.gz IXMXVABLFBVBHH-XOBRGWDASA-N 0 1 380.444 3.390 20 0 GGADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666742 994742627 /nfs/dbraw/zinc/74/26/27/994742627.db2.gz IXMXVABLFBVBHH-XOBRGWDASA-N 0 1 380.444 3.390 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc(C(=O)[O-])co1 ZINC001593304748 994753607 /nfs/dbraw/zinc/75/36/07/994753607.db2.gz RHAZDWBJHGAWBN-ZDUSSCGKSA-N 0 1 397.431 3.198 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cc(C(=O)[O-])co1 ZINC001593304747 994754043 /nfs/dbraw/zinc/75/40/43/994754043.db2.gz RHAZDWBJHGAWBN-CYBMUJFWSA-N 0 1 397.431 3.198 20 0 GGADMN C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001593305576 994764239 /nfs/dbraw/zinc/76/42/39/994764239.db2.gz XGHYILMXJKRHPZ-CYBMUJFWSA-N 0 1 387.386 3.465 20 0 GGADMN C[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(N2CCCC2)c1 ZINC001593311355 994781492 /nfs/dbraw/zinc/78/14/92/994781492.db2.gz FWGUSRVLIWDJGZ-CQSZACIVSA-N 0 1 392.459 3.485 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC001599671185 994814822 /nfs/dbraw/zinc/81/48/22/994814822.db2.gz BOSZWGBOIFFNOB-QGZVFWFLSA-N 0 1 382.460 3.063 20 0 GGADMN COc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001599679212 994951253 /nfs/dbraw/zinc/95/12/53/994951253.db2.gz WDPNMNBYGXKMHV-GOSISDBHSA-N 0 1 385.464 3.288 20 0 GGADMN COc1cccc(Nc2ccccc2C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001599680231 994966986 /nfs/dbraw/zinc/96/69/86/994966986.db2.gz HMIOPTLUOQDBCU-INIZCTEOSA-N 0 1 397.475 3.060 20 0 GGADMN COC(=O)[C@H](C)C[N@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC001598689112 995036972 /nfs/dbraw/zinc/03/69/72/995036972.db2.gz LEZBGEXNNIYTOZ-CQSZACIVSA-N 0 1 381.432 3.072 20 0 GGADMN COC(=O)[C@H](C)C[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC001598689112 995036981 /nfs/dbraw/zinc/03/69/81/995036981.db2.gz LEZBGEXNNIYTOZ-CQSZACIVSA-N 0 1 381.432 3.072 20 0 GGADMN COC(=O)[C@@H](C)C[N@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC001598689111 995037416 /nfs/dbraw/zinc/03/74/16/995037416.db2.gz LEZBGEXNNIYTOZ-AWEZNQCLSA-N 0 1 381.432 3.072 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC001598689111 995037426 /nfs/dbraw/zinc/03/74/26/995037426.db2.gz LEZBGEXNNIYTOZ-AWEZNQCLSA-N 0 1 381.432 3.072 20 0 GGADMN C[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1ccccc1OCC(=O)[O-] ZINC001593365805 995044876 /nfs/dbraw/zinc/04/48/76/995044876.db2.gz KIOMOFGLYSXIIR-MRXNPFEDSA-N 0 1 398.503 3.452 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001598690664 995060907 /nfs/dbraw/zinc/06/09/07/995060907.db2.gz OPOWVPBMLAQHLA-DLBZAZTESA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001598698337 995178765 /nfs/dbraw/zinc/17/87/65/995178765.db2.gz PIUMBMBNWKOZCN-XHSDSOJGSA-N 0 1 398.297 3.137 20 0 GGADMN C[C@@H](O)[C@@H]([NH2+]Cc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1F ZINC001593431538 995251343 /nfs/dbraw/zinc/25/13/43/995251343.db2.gz GOBBASNCKFDNKA-QLJPJBMISA-N 0 1 382.229 3.498 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001598712776 995367490 /nfs/dbraw/zinc/36/74/90/995367490.db2.gz MMDLYZNUPFIYTO-RDTXWAMCSA-N 0 1 388.489 3.039 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001598712771 995368062 /nfs/dbraw/zinc/36/80/62/995368062.db2.gz MMDLYZNUPFIYTO-KBXCAEBGSA-N 0 1 388.489 3.039 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001598712893 995368859 /nfs/dbraw/zinc/36/88/59/995368859.db2.gz NVHPVWLMFGWEIK-MJGOQNOKSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598715505 995401477 /nfs/dbraw/zinc/40/14/77/995401477.db2.gz HUYLKCIMKBUMPZ-HNJNHCNJSA-N 0 1 385.382 3.496 20 0 GGADMN COC(=O)[C@H](c1ccccc1C(F)(F)F)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598715505 995401482 /nfs/dbraw/zinc/40/14/82/995401482.db2.gz HUYLKCIMKBUMPZ-HNJNHCNJSA-N 0 1 385.382 3.496 20 0 GGADMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717261 995426684 /nfs/dbraw/zinc/42/66/84/995426684.db2.gz GQNGCBSIPNQMJO-RISCZKNCSA-N 0 1 399.287 3.259 20 0 GGADMN COC(=O)[C@@H]1[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740717 995560436 /nfs/dbraw/zinc/56/04/36/995560436.db2.gz GAZBHSFBUHTKLC-UWJYBYFXSA-N 0 1 382.190 3.105 20 0 GGADMN C[C@H](OC[C@@H](O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001593604213 995775468 /nfs/dbraw/zinc/77/54/68/995775468.db2.gz NFAUIUNWNWZTPI-UGSOOPFHSA-N 0 1 378.856 3.004 20 0 GGADMN C[C@H](OCCCNC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608551 995797061 /nfs/dbraw/zinc/79/70/61/995797061.db2.gz KBVULKFWDCEMQL-HKUYNNGSSA-N 0 1 390.524 3.093 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001593614898 995827366 /nfs/dbraw/zinc/82/73/66/995827366.db2.gz DGTKYBHYOZQZOL-MJXNMMHHSA-N 0 1 375.852 3.500 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC001593615319 995831675 /nfs/dbraw/zinc/83/16/75/995831675.db2.gz HEHFAHMJEVEBPX-VKJFTORMSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1)C(=O)[O-] ZINC001593615291 995832130 /nfs/dbraw/zinc/83/21/30/995832130.db2.gz ITKXYBWRSXZCJH-WDYCEAGBSA-N 0 1 375.465 3.046 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615389 995832663 /nfs/dbraw/zinc/83/26/63/995832663.db2.gz JBYRENDJCRBYIB-VKJFTORMSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615424 995834196 /nfs/dbraw/zinc/83/41/96/995834196.db2.gz JUAUIMBXXHKTJF-MBSDFSHPSA-N 0 1 383.488 3.356 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC001593615570 995836185 /nfs/dbraw/zinc/83/61/85/995836185.db2.gz KYEBHAXIPZEJPG-OAGGEKHMSA-N 0 1 392.496 3.368 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1)C(=O)[O-] ZINC001593615680 995837173 /nfs/dbraw/zinc/83/71/73/995837173.db2.gz ORURBDIFNIENDI-ZOCIIQOWSA-N 0 1 389.492 3.338 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1)C(=O)[O-] ZINC001593615717 995838234 /nfs/dbraw/zinc/83/82/34/995838234.db2.gz MFSQODJKTYZYOT-OPAMFIHVSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@@H](Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)cc1)C(=O)[O-] ZINC001593617987 995856370 /nfs/dbraw/zinc/85/63/70/995856370.db2.gz RWZQOLYISILCDG-UZLBHIALSA-N 0 1 379.460 3.346 20 0 GGADMN C[C@@H](Oc1ccc(CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1)C(=O)[O-] ZINC001593619149 995859689 /nfs/dbraw/zinc/85/96/89/995859689.db2.gz ADRDPQCSFZUBIR-DYESRHJHSA-N 0 1 395.503 3.435 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1F)C(=O)[O-] ZINC001593625872 995891606 /nfs/dbraw/zinc/89/16/06/995891606.db2.gz AQCCXSBQFPJNAV-ZFWWWQNUSA-N 0 1 381.448 3.016 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1F)C(=O)[O-] ZINC001593630906 995914611 /nfs/dbraw/zinc/91/46/11/995914611.db2.gz FODBAFMISLSCQK-MJBXVCDLSA-N 0 1 381.448 3.062 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778182 995953003 /nfs/dbraw/zinc/95/30/03/995953003.db2.gz NWRCVUUBRTZGBA-JXFKEZNVSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778182 995953011 /nfs/dbraw/zinc/95/30/11/995953011.db2.gz NWRCVUUBRTZGBA-JXFKEZNVSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778191 995953314 /nfs/dbraw/zinc/95/33/14/995953314.db2.gz NWRCVUUBRTZGBA-UZLBHIALSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778191 995953320 /nfs/dbraw/zinc/95/33/20/995953320.db2.gz NWRCVUUBRTZGBA-UZLBHIALSA-N 0 1 399.443 3.196 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C(=O)[O-] ZINC001593644220 995958697 /nfs/dbraw/zinc/95/86/97/995958697.db2.gz FWWRWZUROFAPJR-MRXNPFEDSA-N 0 1 392.459 3.284 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644281 995959391 /nfs/dbraw/zinc/95/93/91/995959391.db2.gz GXWAIZJBYSVBMN-OPAMFIHVSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644815 995966547 /nfs/dbraw/zinc/96/65/47/995966547.db2.gz NBNDSQNXNBIKPJ-JKSUJKDBSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593644775 995966649 /nfs/dbraw/zinc/96/66/49/995966649.db2.gz MXVRMHWOVJUUMY-NVXWUHKLSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001593645020 995969306 /nfs/dbraw/zinc/96/93/06/995969306.db2.gz OOEMSHRPHAHKAN-CQSZACIVSA-N 0 1 380.485 3.274 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645437 995974134 /nfs/dbraw/zinc/97/41/34/995974134.db2.gz JZQOISLERSMANF-HOCLYGCPSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645437 995974140 /nfs/dbraw/zinc/97/41/40/995974140.db2.gz JZQOISLERSMANF-HOCLYGCPSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@H](Oc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)[O-] ZINC001593645516 995975481 /nfs/dbraw/zinc/97/54/81/995975481.db2.gz KSWDYWWGHMUVGV-DZFGPLHGSA-N 0 1 380.488 3.102 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645743 995977206 /nfs/dbraw/zinc/97/72/06/995977206.db2.gz MBOMDDVBXNHHAF-INIZCTEOSA-N 0 1 377.444 3.283 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645743 995977209 /nfs/dbraw/zinc/97/72/09/995977209.db2.gz MBOMDDVBXNHHAF-INIZCTEOSA-N 0 1 377.444 3.283 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646684 995987836 /nfs/dbraw/zinc/98/78/36/995987836.db2.gz ZXZHDDFYWQGFJB-VYDXJSESSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC001593646995 995991152 /nfs/dbraw/zinc/99/11/52/995991152.db2.gz YKHXPURSKGYRBV-HNNXBMFYSA-N 0 1 397.500 3.470 20 0 GGADMN C[C@@H](Oc1ccccc1C[NH2+]Cc1ccncc1OCC(F)(F)F)C(=O)[O-] ZINC001593648805 995998324 /nfs/dbraw/zinc/99/83/24/995998324.db2.gz MVCLLINWNCDUTI-GFCCVEGCSA-N 0 1 384.354 3.164 20 0 GGADMN C[C@@H](Oc1ccccc1C[NH2+]Cc1cccnc1OCC(F)(F)F)C(=O)[O-] ZINC001593648777 995998630 /nfs/dbraw/zinc/99/86/30/995998630.db2.gz MQMVVNFCFIIJFI-GFCCVEGCSA-N 0 1 384.354 3.164 20 0 GGADMN C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593663294 996044333 /nfs/dbraw/zinc/04/43/33/996044333.db2.gz KXZJVSUVYMACDF-APWZRJJASA-N 0 1 398.528 3.397 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C(=O)[O-] ZINC001593672858 996080001 /nfs/dbraw/zinc/08/00/01/996080001.db2.gz KPZDFMWEFYIMQG-HOCLYGCPSA-N 0 1 376.522 3.104 20 0 GGADMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001598797720 996119405 /nfs/dbraw/zinc/11/94/05/996119405.db2.gz CVBFUJUTMVNCNN-GWCFXTLKSA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001598797720 996119407 /nfs/dbraw/zinc/11/94/07/996119407.db2.gz CVBFUJUTMVNCNN-GWCFXTLKSA-N 0 1 379.762 3.197 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001593685971 996120566 /nfs/dbraw/zinc/12/05/66/996120566.db2.gz KPUHLAYESYISBV-UPKKBRNCSA-N 0 1 392.459 3.437 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC001598798288 996123297 /nfs/dbraw/zinc/12/32/97/996123297.db2.gz DRRDSYBRMVBMIR-GXFFZTMASA-N 0 1 392.304 3.424 20 0 GGADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689301 996131910 /nfs/dbraw/zinc/13/19/10/996131910.db2.gz GACLUMPDTDJWKM-RYUDHWBXSA-N 0 1 377.828 3.438 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001593693070 996142652 /nfs/dbraw/zinc/14/26/52/996142652.db2.gz JFRFWNQWSYJGRK-DQEVTTJGSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001593697432 996156571 /nfs/dbraw/zinc/15/65/71/996156571.db2.gz KSJRBWODKABVBV-OAHLLOKOSA-N 0 1 390.430 3.421 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598806031 996187391 /nfs/dbraw/zinc/18/73/91/996187391.db2.gz YRZXHCQROAEWEE-DNVCBOLYSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593725000 996272761 /nfs/dbraw/zinc/27/27/61/996272761.db2.gz KVHDTOFCCJQRKW-OLZOCXBDSA-N 0 1 390.415 3.107 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593725000 996272766 /nfs/dbraw/zinc/27/27/66/996272766.db2.gz KVHDTOFCCJQRKW-OLZOCXBDSA-N 0 1 390.415 3.107 20 0 GGADMN C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725252 996275639 /nfs/dbraw/zinc/27/56/39/996275639.db2.gz TUJJPCBYPWDXAE-UONOGXRCSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725252 996275644 /nfs/dbraw/zinc/27/56/44/996275644.db2.gz TUJJPCBYPWDXAE-UONOGXRCSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001593725536 996279033 /nfs/dbraw/zinc/27/90/33/996279033.db2.gz RLHVQRVHCGJTON-CKNLXJGOSA-N 0 1 393.484 3.451 20 0 GGADMN COC(=O)[C@@H]1C[N@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@@H]1C(=O)[O-] ZINC001598817312 996284656 /nfs/dbraw/zinc/28/46/56/996284656.db2.gz GGPYYJDQSTZICX-BYCMXARLSA-N 0 1 392.839 3.170 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001593726031 996286053 /nfs/dbraw/zinc/28/60/53/996286053.db2.gz YAOSTPPNZJBLSP-ZFWWWQNUSA-N 0 1 393.484 3.403 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001593726028 996286161 /nfs/dbraw/zinc/28/61/61/996286161.db2.gz YAOSTPPNZJBLSP-DZGCQCFKSA-N 0 1 393.484 3.403 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593733003 996316905 /nfs/dbraw/zinc/31/69/05/996316905.db2.gz BLURCTSKECNURZ-NILFDRSVSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593733003 996316906 /nfs/dbraw/zinc/31/69/06/996316906.db2.gz BLURCTSKECNURZ-NILFDRSVSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001593736610 996327254 /nfs/dbraw/zinc/32/72/54/996327254.db2.gz DHMWUNWFEFCORZ-FRRDWIJNSA-N 0 1 383.514 3.385 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001593767582 996450262 /nfs/dbraw/zinc/45/02/62/996450262.db2.gz DAKOQMVVKUVIMJ-CRHVVPOVSA-N 0 1 399.535 3.468 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001593768063 996452542 /nfs/dbraw/zinc/45/25/42/996452542.db2.gz KQEPZGQDJSVSAM-KNQAVFIVSA-N 0 1 387.524 3.328 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001593768065 996452664 /nfs/dbraw/zinc/45/26/64/996452664.db2.gz KQEPZGQDJSVSAM-UGKGYDQZSA-N 0 1 387.524 3.328 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC001593776226 996476112 /nfs/dbraw/zinc/47/61/12/996476112.db2.gz KFVXBAZQELLVPQ-CQSZACIVSA-N 0 1 377.197 3.117 20 0 GGADMN 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/nfs/dbraw/zinc/46/16/71/997461671.db2.gz BNEDYJBRXUITLV-FGZHOGPDSA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001594013737 997482963 /nfs/dbraw/zinc/48/29/63/997482963.db2.gz UTRVQUXRCXWNFO-IAGOWNOFSA-N 0 1 394.434 3.363 20 0 GGADMN COc1cc(C[NH2+][C@@H](C)c2cncc(C(=O)[O-])c2)c(Br)cc1O ZINC001599415833 997508369 /nfs/dbraw/zinc/50/83/69/997508369.db2.gz GXWOCDADMUWSQH-VIFPVBQESA-N 0 1 381.226 3.107 20 0 GGADMN C[C@@]1(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594019514 997517287 /nfs/dbraw/zinc/51/72/87/997517287.db2.gz HFMGXIDFEKQKGS-QHCPKHFHSA-N 0 1 395.503 3.139 20 0 GGADMN COc1cc(C[NH2+][C@H](C)c2nccn2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599416308 997518002 /nfs/dbraw/zinc/51/80/02/997518002.db2.gz SFHBLDUOJIENTN-CYBMUJFWSA-N 0 1 385.420 3.150 20 0 GGADMN COc1cc(C[NH2+][C@@H](C)c2nccn2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599416309 997518594 /nfs/dbraw/zinc/51/85/94/997518594.db2.gz SFHBLDUOJIENTN-ZDUSSCGKSA-N 0 1 385.420 3.150 20 0 GGADMN C[C@@]1(CNC(=O)NCc2ccccc2CC(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594020917 997535210 /nfs/dbraw/zinc/53/52/10/997535210.db2.gz YUFFMJAELQFBNR-QHCPKHFHSA-N 0 1 395.503 3.025 20 0 GGADMN COc1cc(Cl)c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1OC ZINC001599419071 997562737 /nfs/dbraw/zinc/56/27/37/997562737.db2.gz VJBZAGODAWYJHR-WDEREUQCSA-N 0 1 381.778 3.442 20 0 GGADMN COc1cc(Cl)c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1OC ZINC001599419071 997562748 /nfs/dbraw/zinc/56/27/48/997562748.db2.gz VJBZAGODAWYJHR-WDEREUQCSA-N 0 1 381.778 3.442 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C(=O)[O-])cc1O ZINC001599527769 997592362 /nfs/dbraw/zinc/59/23/62/997592362.db2.gz PGEWEUBFSRFHCY-KPLVRAHFSA-N 0 1 396.487 3.484 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C(=O)[O-])cc1O ZINC001599527769 997592373 /nfs/dbraw/zinc/59/23/73/997592373.db2.gz PGEWEUBFSRFHCY-KPLVRAHFSA-N 0 1 396.487 3.484 20 0 GGADMN C[C@@]1(CO)CCC[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594030947 997602518 /nfs/dbraw/zinc/60/25/18/997602518.db2.gz ULZAZISVSINTIM-KRWDZBQOSA-N 0 1 384.263 3.224 20 0 GGADMN CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2nc3ccc(Br)cc3o2)C(=O)[O-])C1 ZINC001599115049 997637358 /nfs/dbraw/zinc/63/73/58/997637358.db2.gz WIUIEODKEVGUHZ-IETSOEAISA-N 0 1 397.269 3.338 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cn(-c3ccncc3)nc2C)C(=O)[O-])cc1Cl ZINC001599530651 997645134 /nfs/dbraw/zinc/64/51/34/997645134.db2.gz GQWVYPJRHCTDIN-GOSISDBHSA-N 0 1 386.839 3.153 20 0 GGADMN C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001594041249 997658278 /nfs/dbraw/zinc/65/82/78/997658278.db2.gz CXUZKSWTCMIIGD-HXUWFJFHSA-N 0 1 378.900 3.060 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C2CC2)cc1 ZINC001599531491 997661557 /nfs/dbraw/zinc/66/15/57/997661557.db2.gz QWDWKIPHHBGJCD-LJQANCHMSA-N 0 1 379.416 3.283 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C(=O)[O-])cc1 ZINC001599531815 997668798 /nfs/dbraw/zinc/66/87/98/997668798.db2.gz SFMSSUHVHVRDJM-HNNXBMFYSA-N 0 1 383.370 3.162 20 0 GGADMN COc1c(Br)cccc1C[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599327182 997685020 /nfs/dbraw/zinc/68/50/20/997685020.db2.gz HNARFJNATLWKKH-GOSISDBHSA-N 0 1 398.297 3.040 20 0 GGADMN COc1ccc([C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)C(=O)[O-])cc1O ZINC001599532691 997685967 /nfs/dbraw/zinc/68/59/67/997685967.db2.gz UWHGDPGOOYZHGZ-OAQYLSRUSA-N 0 1 384.476 3.302 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599535193 997730589 /nfs/dbraw/zinc/73/05/89/997730589.db2.gz GHOXRTJBLAILTR-RDTXWAMCSA-N 0 1 396.443 3.362 20 0 GGADMN CC1(N2CCOCC2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594049356 997731022 /nfs/dbraw/zinc/73/10/22/997731022.db2.gz JMIVCAAXQHIHCK-MRXNPFEDSA-N 0 1 387.307 3.306 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599535192 997731175 /nfs/dbraw/zinc/73/11/75/997731175.db2.gz GHOXRTJBLAILTR-KSSFIOAISA-N 0 1 396.443 3.362 20 0 GGADMN CC1(N2CCOCC2)CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594049354 997731224 /nfs/dbraw/zinc/73/12/24/997731224.db2.gz JMIVCAAXQHIHCK-INIZCTEOSA-N 0 1 387.307 3.306 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001598930697 997746211 /nfs/dbraw/zinc/74/62/11/997746211.db2.gz DNNOYSVQZRVPQV-AWEZNQCLSA-N 0 1 391.464 3.115 20 0 GGADMN C[C@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCC[C@@H]1C(=O)[O-] ZINC001594051761 997748069 /nfs/dbraw/zinc/74/80/69/997748069.db2.gz KVOIMXBRRAHCFB-UWVAXJGDSA-N 0 1 394.462 3.294 20 0 GGADMN C[C@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCC[C@@H]1C(=O)[O-] ZINC001594051759 997748144 /nfs/dbraw/zinc/74/81/44/997748144.db2.gz KVOIMXBRRAHCFB-HLIPFELVSA-N 0 1 394.462 3.294 20 0 GGADMN COC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(C)s1 ZINC001598930946 997753274 /nfs/dbraw/zinc/75/32/74/997753274.db2.gz YVDYTDZVKKCFET-LSDHHAIUSA-N 0 1 395.427 3.422 20 0 GGADMN C[C@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCC[C@@H]1C(=O)[O-] ZINC001594053429 997771386 /nfs/dbraw/zinc/77/13/86/997771386.db2.gz VBEZCRKRLABLNI-DXIQSLLYSA-N 0 1 384.520 3.438 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932212 997782685 /nfs/dbraw/zinc/78/26/85/997782685.db2.gz GNMGWBNIXFYALS-SJORKVTESA-N 0 1 389.473 3.321 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001599538230 997783472 /nfs/dbraw/zinc/78/34/72/997783472.db2.gz CGKPYNAAMHFALH-BPXKWBHBSA-N 0 1 388.508 3.182 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)[nH]c1C(C)C ZINC001598932443 997791516 /nfs/dbraw/zinc/79/15/16/997791516.db2.gz VKXDVCAEKNFPDL-LLVKDONJSA-N 0 1 377.466 3.069 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1 ZINC001598932499 997793153 /nfs/dbraw/zinc/79/31/53/997793153.db2.gz JKMGSMJOUJXDDG-OTWHNJEPSA-N 0 1 375.465 3.077 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc(C(=O)[O-])c1 ZINC001598932576 997794813 /nfs/dbraw/zinc/79/48/13/997794813.db2.gz LVYAOCNMKHBCPM-SFHVURJKSA-N 0 1 397.427 3.280 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001598932587 997795514 /nfs/dbraw/zinc/79/55/14/997795514.db2.gz MHSNHTKGVBXQGP-SFHVURJKSA-N 0 1 387.407 3.354 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c1C(=O)[O-] ZINC001599539361 997806013 /nfs/dbraw/zinc/80/60/13/997806013.db2.gz GFQFQIQYDICMOX-LBPRGKRZSA-N 0 1 378.450 3.204 20 0 GGADMN CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1(C)C ZINC001599124337 997807579 /nfs/dbraw/zinc/80/75/79/997807579.db2.gz CTKQIIRCAVTXIM-AWEZNQCLSA-N 0 1 380.510 3.011 20 0 GGADMN CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1(C)C ZINC001599124337 997807587 /nfs/dbraw/zinc/80/75/87/997807587.db2.gz CTKQIIRCAVTXIM-AWEZNQCLSA-N 0 1 380.510 3.011 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc(C(=O)[O-])c1 ZINC001598933170 997809192 /nfs/dbraw/zinc/80/91/92/997809192.db2.gz ROTQSPWJEVDDJF-GOSISDBHSA-N 0 1 399.443 3.223 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001599539646 997812541 /nfs/dbraw/zinc/81/25/41/997812541.db2.gz ZGTWGIWDCPCQOF-WOJBJXKFSA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001599539646 997812547 /nfs/dbraw/zinc/81/25/47/997812547.db2.gz ZGTWGIWDCPCQOF-WOJBJXKFSA-N 0 1 388.508 3.468 20 0 GGADMN CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)[C@H](C)C1 ZINC001599125655 997842625 /nfs/dbraw/zinc/84/26/25/997842625.db2.gz QHMIIZILLSMXTF-YNEHKIRRSA-N 0 1 380.510 3.009 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)[C@H](C)C1 ZINC001599125655 997842638 /nfs/dbraw/zinc/84/26/38/997842638.db2.gz QHMIIZILLSMXTF-YNEHKIRRSA-N 0 1 380.510 3.009 20 0 GGADMN COc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C(=O)[O-] ZINC001599436077 997849018 /nfs/dbraw/zinc/84/90/18/997849018.db2.gz UJICDRRMWXWJGE-HNNXBMFYSA-N 0 1 383.448 3.304 20 0 GGADMN COc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)ccc1C(=O)[O-] ZINC001599436113 997849731 /nfs/dbraw/zinc/84/97/31/997849731.db2.gz VNNIQELGRVNZKF-INIZCTEOSA-N 0 1 397.475 3.379 20 0 GGADMN COc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599437060 997865778 /nfs/dbraw/zinc/86/57/78/997865778.db2.gz GBJZHDHISGZYKT-QGZVFWFLSA-N 0 1 397.475 3.080 20 0 GGADMN COc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599437100 997867301 /nfs/dbraw/zinc/86/73/01/997867301.db2.gz KKWQJCRMNLQFJO-DOTOQJQBSA-N 0 1 397.475 3.426 20 0 GGADMN COc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)ccc1C(=O)[O-] ZINC001599437754 997877653 /nfs/dbraw/zinc/87/76/53/997877653.db2.gz KXSJJYDSNZEUAR-MRXNPFEDSA-N 0 1 375.469 3.312 20 0 GGADMN COc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)ccc1C(=O)[O-] ZINC001599437770 997877798 /nfs/dbraw/zinc/87/77/98/997877798.db2.gz LHBRVQFCSWQOCH-INIZCTEOSA-N 0 1 391.855 3.471 20 0 GGADMN C[C@]1(O)CCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001594067034 997889696 /nfs/dbraw/zinc/88/96/96/997889696.db2.gz TWPSZVQHWPMVBK-KRWDZBQOSA-N 0 1 384.263 3.224 20 0 GGADMN COc1c(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cccc1C(=O)[O-] ZINC001599339121 997890084 /nfs/dbraw/zinc/89/00/84/997890084.db2.gz GBVHLXVOTDAPMK-UHFFFAOYSA-N 0 1 398.394 3.348 20 0 GGADMN COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001599543961 997892701 /nfs/dbraw/zinc/89/27/01/997892701.db2.gz PSAWNKFOSPJSQA-IZTUGPKFSA-N 0 1 381.428 3.221 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@@H]1CC[C@H](C)C1 ZINC001599233314 997901261 /nfs/dbraw/zinc/90/12/61/997901261.db2.gz IOBXSFCYOXAHOX-UONOGXRCSA-N 0 1 394.537 3.401 20 0 GGADMN COc1c(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340222 997909218 /nfs/dbraw/zinc/90/92/18/997909218.db2.gz HKDJYHGESDJVNW-NRFANRHFSA-N 0 1 383.448 3.180 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C1CCCC1 ZINC001599233748 997909468 /nfs/dbraw/zinc/90/94/68/997909468.db2.gz YKOPYXXLJMRHQN-CYBMUJFWSA-N 0 1 394.537 3.401 20 0 GGADMN COc1c(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1C(=O)[O-] ZINC001599340349 997911343 /nfs/dbraw/zinc/91/13/43/997911343.db2.gz GFQNJZPDSLWRIG-OAHLLOKOSA-N 0 1 385.464 3.426 20 0 GGADMN COc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1C(=O)[O-] ZINC001599340330 997911550 /nfs/dbraw/zinc/91/15/50/997911550.db2.gz JEUIAIYRSLFCSF-YJBOKZPZSA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340653 997916461 /nfs/dbraw/zinc/91/64/61/997916461.db2.gz JTAUDNQWCRDJTH-QFIPXVFZSA-N 0 1 397.475 3.427 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCCC3(CCCCC3)C2)cc(C(=O)[O-])c1 ZINC001598938948 997924997 /nfs/dbraw/zinc/92/49/97/997924997.db2.gz HHAPDSAUTGFQKH-UHFFFAOYSA-N 0 1 388.464 3.156 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)cc(C(=O)[O-])c1 ZINC001598939014 997927151 /nfs/dbraw/zinc/92/71/51/997927151.db2.gz JYZUEIARHJGFKH-LJQANCHMSA-N 0 1 396.443 3.255 20 0 GGADMN COc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)ccc1C(=O)[O-] ZINC001599441710 997939622 /nfs/dbraw/zinc/93/96/22/997939622.db2.gz ADUDCZLDYMIGMM-UHFFFAOYSA-N 0 1 379.416 3.115 20 0 GGADMN COc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)ccc1C(=O)[O-] ZINC001599441710 997939629 /nfs/dbraw/zinc/93/96/29/997939629.db2.gz ADUDCZLDYMIGMM-UHFFFAOYSA-N 0 1 379.416 3.115 20 0 GGADMN CO[C@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599130924 997941553 /nfs/dbraw/zinc/94/15/53/997941553.db2.gz AYFWXIHUGIIUPB-VQIMIIECSA-N 0 1 375.856 3.169 20 0 GGADMN CO[C@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599130924 997941570 /nfs/dbraw/zinc/94/15/70/997941570.db2.gz AYFWXIHUGIIUPB-VQIMIIECSA-N 0 1 375.856 3.169 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](CCc2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC001598940015 997949876 /nfs/dbraw/zinc/94/98/76/997949876.db2.gz HPQNIUCDNFVSCD-UHFFFAOYSA-N 0 1 398.459 3.063 20 0 GGADMN CO[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@@](C)(C(=O)[O-])C1 ZINC001599131326 997950752 /nfs/dbraw/zinc/95/07/52/997950752.db2.gz COJLIQRCVIONAV-RHSMWYFYSA-N 0 1 379.254 3.061 20 0 GGADMN CO[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@](C)(C(=O)[O-])C1 ZINC001599131326 997950763 /nfs/dbraw/zinc/95/07/63/997950763.db2.gz COJLIQRCVIONAV-RHSMWYFYSA-N 0 1 379.254 3.061 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940300 997955321 /nfs/dbraw/zinc/95/53/21/997955321.db2.gz RPWVRDHVBKUEGI-UONOGXRCSA-N 0 1 396.443 3.118 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940300 997955331 /nfs/dbraw/zinc/95/53/31/997955331.db2.gz RPWVRDHVBKUEGI-UONOGXRCSA-N 0 1 396.443 3.118 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001598940495 997960792 /nfs/dbraw/zinc/96/07/92/997960792.db2.gz NDQWGNIJGRSIOK-CQSZACIVSA-N 0 1 384.432 3.111 20 0 GGADMN COc1c(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncnc1C(=O)[O-] ZINC001599343558 997961437 /nfs/dbraw/zinc/96/14/37/997961437.db2.gz QQVLHRDDKLBSHS-ALOPSCKCSA-N 0 1 382.464 3.181 20 0 GGADMN CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599132184 997968388 /nfs/dbraw/zinc/96/83/88/997968388.db2.gz QUWPGCWEBNHEKJ-UGKGYDQZSA-N 0 1 398.459 3.372 20 0 GGADMN COc1cc(N[C@H]2CCC[N@@H+]([C@@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443628 997971194 /nfs/dbraw/zinc/97/11/94/997971194.db2.gz VULIWLOIFVALNJ-STQMWFEESA-N 0 1 375.425 3.028 20 0 GGADMN COc1cc(N[C@H]2CCC[N@H+]([C@@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443628 997971201 /nfs/dbraw/zinc/97/12/01/997971201.db2.gz VULIWLOIFVALNJ-STQMWFEESA-N 0 1 375.425 3.028 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](CC(C)C)C2CCCC2)cc(C(=O)[O-])c1 ZINC001598941136 997974270 /nfs/dbraw/zinc/97/42/70/997974270.db2.gz WENYLYURNZBZJO-UHFFFAOYSA-N 0 1 376.453 3.011 20 0 GGADMN COc1ccc(CC2CC[NH+](CN3Cc4ccc(C(=O)[O-])cc4C3=O)CC2)cc1 ZINC001599552397 998030551 /nfs/dbraw/zinc/03/05/51/998030551.db2.gz MKEUIBUSEYFUFW-UHFFFAOYSA-N 0 1 394.471 3.261 20 0 GGADMN C[C@]12CN(C(=O)c3ccccc3C(=O)[O-])C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594089798 998032050 /nfs/dbraw/zinc/03/20/50/998032050.db2.gz ZOOSIYDNNBHVSU-ZRZAMGCNSA-N 0 1 378.472 3.369 20 0 GGADMN COc1cc(Br)c(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1O ZINC001599347411 998032574 /nfs/dbraw/zinc/03/25/74/998032574.db2.gz AHZIRXQYFLQVKR-SJKOYZFVSA-N 0 1 384.270 3.240 20 0 GGADMN COc1ccc(CC2CC[NH+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC2)cc1 ZINC001599552847 998038346 /nfs/dbraw/zinc/03/83/46/998038346.db2.gz NYUNOIAFTTWOGY-UHFFFAOYSA-N 0 1 384.476 3.476 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](CN3Cc4ccc(C(=O)[O-])cc4C3=O)C2)cc1 ZINC001599553229 998046104 /nfs/dbraw/zinc/04/61/04/998046104.db2.gz QYGWGPQVOHHLPJ-KRWDZBQOSA-N 0 1 394.471 3.261 20 0 GGADMN COc1ccc(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001599553329 998046428 /nfs/dbraw/zinc/04/64/28/998046428.db2.gz VEWMBDOCDWIGMJ-QGZVFWFLSA-N 0 1 382.460 3.429 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001599450118 998079256 /nfs/dbraw/zinc/07/92/56/998079256.db2.gz BLTCPMVJDACITH-QGZVFWFLSA-N 0 1 395.358 3.283 20 0 GGADMN COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C[C@@H]1C ZINC001599243024 998083424 /nfs/dbraw/zinc/08/34/24/998083424.db2.gz WVLRGAPQSPYRLD-GASCZTMLSA-N 0 1 385.464 3.111 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)O1 ZINC001594099218 998093889 /nfs/dbraw/zinc/09/38/89/998093889.db2.gz AMBOWRJTRDGTIP-ZOCZFRKYSA-N 0 1 394.512 3.151 20 0 GGADMN COc1ccc(CCn2c(C)cc(C(=O)C[NH+]3CCC(C(=O)[O-])CC3)c2C)cc1 ZINC001599556110 998093951 /nfs/dbraw/zinc/09/39/51/998093951.db2.gz PHDARXBJROIPEO-UHFFFAOYSA-N 0 1 398.503 3.336 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)O1 ZINC001594099662 998099612 /nfs/dbraw/zinc/09/96/12/998099612.db2.gz GQAROLZHSATNDH-YCRPNKLZSA-N 0 1 396.528 3.397 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)O1 ZINC001594099661 998100194 /nfs/dbraw/zinc/10/01/94/998100194.db2.gz GQAROLZHSATNDH-VFNWGFHPSA-N 0 1 396.528 3.397 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)O1 ZINC001594100751 998112860 /nfs/dbraw/zinc/11/28/60/998112860.db2.gz VSVICCJBDLYKJU-QGZVFWFLSA-N 0 1 375.856 3.223 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)O1 ZINC001594100751 998112865 /nfs/dbraw/zinc/11/28/65/998112865.db2.gz VSVICCJBDLYKJU-QGZVFWFLSA-N 0 1 375.856 3.223 20 0 GGADMN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599453567 998149234 /nfs/dbraw/zinc/14/92/34/998149234.db2.gz KLADJSAPXZBCMT-UHFFFAOYSA-N 0 1 377.412 3.442 20 0 GGADMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC001599454741 998168964 /nfs/dbraw/zinc/16/89/64/998168964.db2.gz OJTKXGZOGCXXAJ-UHFFFAOYSA-N 0 1 384.476 3.423 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599560402 998181343 /nfs/dbraw/zinc/18/13/43/998181343.db2.gz IUKBVGOYYCRYDX-INIZCTEOSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599560402 998181350 /nfs/dbraw/zinc/18/13/50/998181350.db2.gz IUKBVGOYYCRYDX-INIZCTEOSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599560444 998182399 /nfs/dbraw/zinc/18/23/99/998182399.db2.gz HIRXSGRYECCMSE-UHFFFAOYSA-N 0 1 377.444 3.197 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599561949 998213868 /nfs/dbraw/zinc/21/38/68/998213868.db2.gz ZIJPRGXVSOZYRN-OAHLLOKOSA-N 0 1 388.851 3.051 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599561949 998213874 /nfs/dbraw/zinc/21/38/74/998213874.db2.gz ZIJPRGXVSOZYRN-OAHLLOKOSA-N 0 1 388.851 3.051 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@H](OC)C[C@]2(C)C(=O)[O-])cc1SC(F)(F)F ZINC001599562565 998227644 /nfs/dbraw/zinc/22/76/44/998227644.db2.gz GCLMSTQSORWYTF-IAQYHMDHSA-N 0 1 379.400 3.371 20 0 GGADMN COc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(Br)c1O ZINC001599562973 998234088 /nfs/dbraw/zinc/23/40/88/998234088.db2.gz CVRZQRJSYYXOGZ-SJKOYZFVSA-N 0 1 384.270 3.240 20 0 GGADMN COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC001598955917 998240590 /nfs/dbraw/zinc/24/05/90/998240590.db2.gz UYVILEYQPAOWCN-UHFFFAOYSA-N 0 1 383.400 3.315 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])cc1 ZINC001599564532 998261596 /nfs/dbraw/zinc/26/15/96/998261596.db2.gz MIYJPPDUUDEPGM-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])cc1 ZINC001599564532 998261604 /nfs/dbraw/zinc/26/16/04/998261604.db2.gz MIYJPPDUUDEPGM-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1Cn1cccn1 ZINC001599564766 998264005 /nfs/dbraw/zinc/26/40/05/998264005.db2.gz RTGUKRMTGBUEGW-NHCUHLMSSA-N 0 1 391.471 3.240 20 0 GGADMN COC(=O)c1cc2cc(C[N@@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)ccc2o1 ZINC001598957381 998268425 /nfs/dbraw/zinc/26/84/25/998268425.db2.gz FQRSFAKNYDRKMI-QWHCGFSZSA-N 0 1 385.338 3.304 20 0 GGADMN COc1cc2c(cc1C[N@@H+]1C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C1)OCO2 ZINC001599463087 998308557 /nfs/dbraw/zinc/30/85/57/998308557.db2.gz FAMRSWSCUOWJNE-JKSUJKDBSA-N 0 1 389.835 3.378 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)c1 ZINC001598959950 998310055 /nfs/dbraw/zinc/31/00/55/998310055.db2.gz ASOMLMMMOLSHFL-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)c2C)c1 ZINC001598959955 998310467 /nfs/dbraw/zinc/31/04/67/998310467.db2.gz BBXVLWRFIADVBX-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC001599463225 998310856 /nfs/dbraw/zinc/31/08/56/998310856.db2.gz CMYNIXUWJAUBQV-KRWDZBQOSA-N 0 1 397.431 3.261 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC001598960631 998323653 /nfs/dbraw/zinc/32/36/53/998323653.db2.gz JORAOVWMJVMGLX-ZIAGYGMSSA-N 0 1 388.464 3.011 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(O)c2)c(Br)c1OC ZINC001599570789 998361426 /nfs/dbraw/zinc/36/14/26/998361426.db2.gz BJTITGZQMDXGFL-OAHLLOKOSA-N 0 1 396.237 3.087 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)o1 ZINC001599466531 998370776 /nfs/dbraw/zinc/37/07/76/998370776.db2.gz JPTLETGSZOMJPC-ZSEKCTLFSA-N 0 1 381.432 3.441 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001599370567 998402633 /nfs/dbraw/zinc/40/26/33/998402633.db2.gz GCBCMQRWGPPGNJ-UHFFFAOYSA-N 0 1 383.448 3.052 20 0 GGADMN COc1ccc(-c2cnc(C[N@@H+]3C[C@@H](c4ccc(O)cc4)[C@H](C(=O)[O-])C3)o2)cc1 ZINC001599468590 998409038 /nfs/dbraw/zinc/40/90/38/998409038.db2.gz GKCQIEINSNSASC-RBUKOAKNSA-N 0 1 394.427 3.356 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001598965573 998413608 /nfs/dbraw/zinc/41/36/08/998413608.db2.gz HVGUEUUWHLRYOH-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001598965573 998413614 /nfs/dbraw/zinc/41/36/14/998413614.db2.gz HVGUEUUWHLRYOH-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC(C)(C)CC1 ZINC001598965677 998415124 /nfs/dbraw/zinc/41/51/24/998415124.db2.gz QYNHELIBIPDNMK-ZDUSSCGKSA-N 0 1 376.453 3.011 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001599371440 998415306 /nfs/dbraw/zinc/41/53/06/998415306.db2.gz RRVXUNXRELCPBP-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599468939 998415611 /nfs/dbraw/zinc/41/56/11/998415611.db2.gz WQASVAICPFQDCJ-HSZRJFAPSA-N 0 1 396.487 3.339 20 0 GGADMN COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599468978 998416118 /nfs/dbraw/zinc/41/61/18/998416118.db2.gz YQSCBUUMRJWYCC-SFHVURJKSA-N 0 1 392.459 3.407 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1C ZINC001598966401 998429553 /nfs/dbraw/zinc/42/95/53/998429553.db2.gz YPWXPMIBFFMKLX-HNNXBMFYSA-N 0 1 398.459 3.247 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3C[C@H](C)[C@@](C)(C(=O)[O-])C3)cs2)c(OC)c1 ZINC001599469933 998432683 /nfs/dbraw/zinc/43/26/83/998432683.db2.gz PFDINAXKODDKPW-BUXKBTBVSA-N 0 1 376.478 3.370 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001599577675 998472060 /nfs/dbraw/zinc/47/20/60/998472060.db2.gz BUGAQFVWSAZSEC-QWHCGFSZSA-N 0 1 382.888 3.498 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001599577674 998472410 /nfs/dbraw/zinc/47/24/10/998472410.db2.gz BUGAQFVWSAZSEC-OLZOCXBDSA-N 0 1 382.888 3.498 20 0 GGADMN COc1ccc(Br)c([C@@H](C(=O)[O-])[N@@H+](C)CC2CCC(=O)CC2)c1 ZINC001599474703 998509306 /nfs/dbraw/zinc/50/93/06/998509306.db2.gz DFPHLLRIVUNFOH-INIZCTEOSA-N 0 1 384.270 3.275 20 0 GGADMN COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599164866 998524107 /nfs/dbraw/zinc/52/41/07/998524107.db2.gz NJKBPNLEUCTACK-INIZCTEOSA-N 0 1 390.505 3.191 20 0 GGADMN COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599164866 998524119 /nfs/dbraw/zinc/52/41/19/998524119.db2.gz NJKBPNLEUCTACK-INIZCTEOSA-N 0 1 390.505 3.191 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001599475529 998525246 /nfs/dbraw/zinc/52/52/46/998525246.db2.gz SNABQSXGACTQEA-KRWDZBQOSA-N 0 1 379.254 3.332 20 0 GGADMN COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001598971596 998526182 /nfs/dbraw/zinc/52/61/82/998526182.db2.gz FYLKOESUKZPGGF-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001598971596 998526189 /nfs/dbraw/zinc/52/61/89/998526189.db2.gz FYLKOESUKZPGGF-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN COc1ccc(Br)c([C@H](C(=O)[O-])N(C)Cc2[nH]c(C)[nH+]c2C)c1 ZINC001599475633 998526326 /nfs/dbraw/zinc/52/63/26/998526326.db2.gz XZGQIFDTCGRSEB-OAHLLOKOSA-N 0 1 382.258 3.055 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(OC)c2)cc1Cl ZINC001598972310 998539839 /nfs/dbraw/zinc/53/98/39/998539839.db2.gz OSAWNCJAOXDKKM-KRWDZBQOSA-N 0 1 377.824 3.393 20 0 GGADMN COC(=O)c1ccc(C[N@H+](CCC(F)(F)F)CC(=O)[O-])c(Br)c1 ZINC001598973408 998559006 /nfs/dbraw/zinc/55/90/06/998559006.db2.gz ZOUCZIXCCIFWEZ-UHFFFAOYSA-N 0 1 398.175 3.075 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](CCC(F)(F)F)CC(=O)[O-])c(Br)c1 ZINC001598973408 998559015 /nfs/dbraw/zinc/55/90/15/998559015.db2.gz ZOUCZIXCCIFWEZ-UHFFFAOYSA-N 0 1 398.175 3.075 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001599273083 998571039 /nfs/dbraw/zinc/57/10/39/998571039.db2.gz GIUXHMIPISHSFR-GHMZBOCLSA-N 0 1 390.249 3.176 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001599273083 998571048 /nfs/dbraw/zinc/57/10/48/998571048.db2.gz GIUXHMIPISHSFR-GHMZBOCLSA-N 0 1 390.249 3.176 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001598974096 998572392 /nfs/dbraw/zinc/57/23/92/998572392.db2.gz INDUBPXCGYFRNM-GFCCVEGCSA-N 0 1 378.425 3.147 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2CCOc3ccccc3[C@H]2C(=O)[O-])cc1Cl ZINC001598974521 998580432 /nfs/dbraw/zinc/58/04/32/998580432.db2.gz OAICOJMLFUXSBD-KRWDZBQOSA-N 0 1 375.808 3.147 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C(=O)[O-])cc1Cl ZINC001598974521 998580437 /nfs/dbraw/zinc/58/04/37/998580437.db2.gz OAICOJMLFUXSBD-KRWDZBQOSA-N 0 1 375.808 3.147 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001594161352 998600794 /nfs/dbraw/zinc/60/07/94/998600794.db2.gz GJRXWSQNWVMIAW-ZWNOBZJWSA-N 0 1 378.778 3.030 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001594161352 998600800 /nfs/dbraw/zinc/60/08/00/998600800.db2.gz GJRXWSQNWVMIAW-ZWNOBZJWSA-N 0 1 378.778 3.030 20 0 GGADMN COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001598976597 998605662 /nfs/dbraw/zinc/60/56/62/998605662.db2.gz YWIMXVRPPMBCNY-NSHDSACASA-N 0 1 380.853 3.271 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162973 998610475 /nfs/dbraw/zinc/61/04/75/998610475.db2.gz WINCOLFENORJRI-GHTZIAJQSA-N 0 1 380.488 3.053 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001594166325 998627230 /nfs/dbraw/zinc/62/72/30/998627230.db2.gz RZIBSOCDEHENAO-YJBOKZPZSA-N 0 1 396.491 3.263 20 0 GGADMN COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001599172888 998629593 /nfs/dbraw/zinc/62/95/93/998629593.db2.gz IZIOZKMQGRRFKF-CQSZACIVSA-N 0 1 398.431 3.257 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001594167059 998640498 /nfs/dbraw/zinc/64/04/98/998640498.db2.gz JBTJFUKFUIPEOI-IAQYHMDHSA-N 0 1 376.254 3.201 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001594176591 998679497 /nfs/dbraw/zinc/67/94/97/998679497.db2.gz IUOZEXDLVAZJBO-KZNAEPCWSA-N 0 1 395.503 3.307 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001594176566 998679704 /nfs/dbraw/zinc/67/97/04/998679704.db2.gz IHUQZXOEFGOQLA-BZUAXINKSA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC001594176659 998680656 /nfs/dbraw/zinc/68/06/56/998680656.db2.gz KIAJQXQSKWCOFQ-RCCFBDPRSA-N 0 1 380.488 3.437 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176975 998684170 /nfs/dbraw/zinc/68/41/70/998684170.db2.gz PNUGRMRLRVHXEM-YZLZLFLDSA-N 0 1 387.524 3.180 20 0 GGADMN C[C@H]1[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001594189897 998736476 /nfs/dbraw/zinc/73/64/76/998736476.db2.gz CKCGGFHKAXVRAX-SJCJKPOMSA-N 0 1 389.402 3.448 20 0 GGADMN C[C@@H]1[C@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CC[N@H+]1Cc1ccccc1 ZINC001594189953 998736581 /nfs/dbraw/zinc/73/65/81/998736581.db2.gz DFQRHSDWBRXSEJ-IEBWSBKVSA-N 0 1 387.524 3.374 20 0 GGADMN COC(=O)c1cccc(Br)c1C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC001598991334 998740803 /nfs/dbraw/zinc/74/08/03/998740803.db2.gz IYSVSDBIJXANCU-UHFFFAOYSA-N 0 1 384.270 3.313 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594191300 998747144 /nfs/dbraw/zinc/74/71/44/998747144.db2.gz VQKAITDCVRELRZ-IERDGZPVSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@@H]1[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC[N@H+]1Cc1ccccc1 ZINC001594191597 998749431 /nfs/dbraw/zinc/74/94/31/998749431.db2.gz AZKHTYLWVVMVCL-CXAGYDPISA-N 0 1 393.447 3.046 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994051 998762632 /nfs/dbraw/zinc/76/26/32/998762632.db2.gz BKAPGGNZWVNAKM-ROUUACIJSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994051 998762638 /nfs/dbraw/zinc/76/26/38/998762638.db2.gz BKAPGGNZWVNAKM-ROUUACIJSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001598995598 998777489 /nfs/dbraw/zinc/77/74/89/998777489.db2.gz ILBNRKXMRWKDNA-APWZRJJASA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995598 998777494 /nfs/dbraw/zinc/77/74/94/998777494.db2.gz ILBNRKXMRWKDNA-APWZRJJASA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995598 998777497 /nfs/dbraw/zinc/77/74/97/998777497.db2.gz ILBNRKXMRWKDNA-APWZRJJASA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001598997195 998790573 /nfs/dbraw/zinc/79/05/73/998790573.db2.gz RFGMWBSVSLZDCH-LJQANCHMSA-N 0 1 391.427 3.265 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001598997195 998790577 /nfs/dbraw/zinc/79/05/77/998790577.db2.gz RFGMWBSVSLZDCH-LJQANCHMSA-N 0 1 391.427 3.265 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC001598997471 998793086 /nfs/dbraw/zinc/79/30/86/998793086.db2.gz MGTJNNICHNKIAL-FQEVSTJZSA-N 0 1 378.428 3.447 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC001598997471 998793087 /nfs/dbraw/zinc/79/30/87/998793087.db2.gz MGTJNNICHNKIAL-FQEVSTJZSA-N 0 1 378.428 3.447 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccc(OC)c(Cl)c2)c1 ZINC001598998135 998799901 /nfs/dbraw/zinc/79/99/01/998799901.db2.gz XLGSDWPGANWROB-KRWDZBQOSA-N 0 1 377.824 3.393 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC001594207696 998801281 /nfs/dbraw/zinc/80/12/81/998801281.db2.gz IIPBYMXOQSJFLS-YVECIDJPSA-N 0 1 376.280 3.307 20 0 GGADMN COC(=O)c1cccc([C@H](NC2CC[NH+](Cc3ccccc3C)CC2)C(=O)[O-])c1 ZINC001598998878 998806106 /nfs/dbraw/zinc/80/61/06/998806106.db2.gz RMXLQWZMXPKVOM-NRFANRHFSA-N 0 1 396.487 3.162 20 0 GGADMN COC(=O)c1cccc([C@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000334 998818178 /nfs/dbraw/zinc/81/81/78/998818178.db2.gz YJJLYQZQAGHZBD-NZQKXSOJSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000334 998818185 /nfs/dbraw/zinc/81/81/85/998818185.db2.gz YJJLYQZQAGHZBD-NZQKXSOJSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000334 998818192 /nfs/dbraw/zinc/81/81/92/998818192.db2.gz YJJLYQZQAGHZBD-NZQKXSOJSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001599002542 998830992 /nfs/dbraw/zinc/83/09/92/998830992.db2.gz QDRFJEFZDFHIGY-KRWDZBQOSA-N 0 1 386.448 3.116 20 0 GGADMN COC(=O)c1cccc2c1OCC[N@H+](Cc1ccc(C(=O)[O-])c3cccnc13)C2 ZINC001599003770 998841268 /nfs/dbraw/zinc/84/12/68/998841268.db2.gz VYRLMWXHHBMVAC-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1cccc2c1OCC[N@@H+](Cc1ccc(C(=O)[O-])c3cccnc13)C2 ZINC001599003770 998841270 /nfs/dbraw/zinc/84/12/70/998841270.db2.gz VYRLMWXHHBMVAC-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594226285 998866779 /nfs/dbraw/zinc/86/67/79/998866779.db2.gz MJVFRBBXJKRZKH-XQQFMLRXSA-N 0 1 399.438 3.474 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594225908 998866861 /nfs/dbraw/zinc/86/68/61/998866861.db2.gz LJGMVGVYFXCYMV-GASCZTMLSA-N 0 1 379.476 3.332 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001594226331 998867604 /nfs/dbraw/zinc/86/76/04/998867604.db2.gz NATZRSRSDZSCEX-IYBDPMFKSA-N 0 1 391.512 3.418 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001594226777 998868714 /nfs/dbraw/zinc/86/87/14/998868714.db2.gz QYROMAOFUTXCCL-IYBDPMFKSA-N 0 1 387.524 3.209 20 0 GGADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594230057 998872742 /nfs/dbraw/zinc/87/27/42/998872742.db2.gz CBRRZPNWQIVPMS-FMKPAKJESA-N 0 1 379.501 3.095 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)s1 ZINC001599008782 998879208 /nfs/dbraw/zinc/87/92/08/998879208.db2.gz DCMWFMYKGWKSIX-CYBMUJFWSA-N 0 1 378.425 3.147 20 0 GGADMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccnc4c(C(=O)[O-])cccc34)C2)s1 ZINC001599008858 998879767 /nfs/dbraw/zinc/87/97/67/998879767.db2.gz FJAMPKXZACJXJU-CYBMUJFWSA-N 0 1 397.456 3.166 20 0 GGADMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])sc3C)C2)s1 ZINC001599008940 998880301 /nfs/dbraw/zinc/88/03/01/998880301.db2.gz HEGIIERDJNNWNT-NSHDSACASA-N 0 1 380.491 3.377 20 0 GGADMN COC(=O)c1cnc([C@H]2CCC[N@H+]([C@@H](C)c3cc(C)c(C(=O)[O-])o3)C2)s1 ZINC001599008966 998880332 /nfs/dbraw/zinc/88/03/32/998880332.db2.gz HWDWXNKURNSFOE-RYUDHWBXSA-N 0 1 378.450 3.470 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C(=O)[O-])C2)s1 ZINC001599009129 998882012 /nfs/dbraw/zinc/88/20/12/998882012.db2.gz JLYZCSKOZQRVOC-GFCCVEGCSA-N 0 1 378.425 3.147 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001594232218 998883244 /nfs/dbraw/zinc/88/32/44/998883244.db2.gz GDIKORCPNWGHFU-QGZVKYPTSA-N 0 1 387.524 3.039 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)s1 ZINC001599009897 998888507 /nfs/dbraw/zinc/88/85/07/998888507.db2.gz UMEZKTSNRSYUHT-GFCCVEGCSA-N 0 1 378.425 3.147 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001594235821 998897741 /nfs/dbraw/zinc/89/77/41/998897741.db2.gz FOFOCNLHKKKPSV-YZLZLFLDSA-N 0 1 387.524 3.169 20 0 GGADMN C[C@H]1C[C@@H](C[N@H+]2CCOc3c(Br)cc(C(=O)[O-])cc3C2)CCO1 ZINC001594235926 998899012 /nfs/dbraw/zinc/89/90/12/998899012.db2.gz MCLFFXPDZYAVNN-RYUDHWBXSA-N 0 1 384.270 3.157 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC001594239819 998916126 /nfs/dbraw/zinc/91/61/26/998916126.db2.gz VLSFPAKAKKZWNT-QKLQHJQFSA-N 0 1 393.959 3.061 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001594244979 998933923 /nfs/dbraw/zinc/93/39/23/998933923.db2.gz CLQAJQDDJVIZLO-LSTHTHJFSA-N 0 1 387.524 3.182 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC001594245063 998934669 /nfs/dbraw/zinc/93/46/69/998934669.db2.gz FOULSUBLRVHPNW-WBVHZDCISA-N 0 1 382.464 3.297 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC001594245062 998934782 /nfs/dbraw/zinc/93/47/82/998934782.db2.gz FOULSUBLRVHPNW-RDJZCZTQSA-N 0 1 382.464 3.297 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+](CC(=O)[O-])C1CC1 ZINC001599017378 998950243 /nfs/dbraw/zinc/95/02/43/998950243.db2.gz KKKQTRAPWRHOSR-UHFFFAOYSA-N 0 1 398.246 3.015 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC001599017378 998950247 /nfs/dbraw/zinc/95/02/47/998950247.db2.gz KKKQTRAPWRHOSR-UHFFFAOYSA-N 0 1 398.246 3.015 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](CC(C)C)CC(C)(C)C)c(C(=O)[O-])c1C ZINC001599020554 998975616 /nfs/dbraw/zinc/97/56/16/998975616.db2.gz CQCWLHZIVSALSK-UHFFFAOYSA-N 0 1 398.525 3.484 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@H]2CC(C)C)c(C(=O)[O-])c1C ZINC001599021550 998983693 /nfs/dbraw/zinc/98/36/93/998983693.db2.gz RHUWRRUWRMXGMX-ZDUSSCGKSA-N 0 1 396.509 3.380 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@@H]2C2CCC2)c(C(=O)[O-])c1C ZINC001599021607 998984024 /nfs/dbraw/zinc/98/40/24/998984024.db2.gz UJYYCZNNKPKAJG-CYBMUJFWSA-N 0 1 394.493 3.134 20 0 GGADMN COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001599022270 998990006 /nfs/dbraw/zinc/99/00/06/998990006.db2.gz VBMZYIQLEQOTKP-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001599022270 998990009 /nfs/dbraw/zinc/99/00/09/998990009.db2.gz VBMZYIQLEQOTKP-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC001594257478 998990916 /nfs/dbraw/zinc/99/09/16/998990916.db2.gz GWBHACYNCBCAGR-UZLBHIALSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[N@H+]1Cc1ccccc1 ZINC001594258723 998997391 /nfs/dbraw/zinc/99/73/91/998997391.db2.gz ZDRRGLNKPXMPIA-WFASDCNBSA-N 0 1 389.402 3.448 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594261539 999010907 /nfs/dbraw/zinc/01/09/07/999010907.db2.gz XKUHBOAETHDCGR-DZGCQCFKSA-N 0 1 385.464 3.421 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594284229 999102332 /nfs/dbraw/zinc/10/23/32/999102332.db2.gz KVRUJOIVISRNGU-QIJZBDPFSA-N 0 1 398.425 3.458 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)C[N@H+]2C1 ZINC001594285374 999105865 /nfs/dbraw/zinc/10/58/65/999105865.db2.gz PVZDNSWQCKCKSL-ZAMIHWKFSA-N 0 1 390.911 3.087 20 0 GGADMN C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@@H](C(=O)[O-])c1cccc(Br)c1)C[C@H](C)O2 ZINC001594286818 999109903 /nfs/dbraw/zinc/10/99/03/999109903.db2.gz UJDZSXSFQYXTNG-ZDFLXESQSA-N 0 1 398.297 3.233 20 0 GGADMN C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@@H](C(=O)[O-])c1cccc(Br)c1)C[C@H](C)O2 ZINC001594286818 999109909 /nfs/dbraw/zinc/10/99/09/999109909.db2.gz UJDZSXSFQYXTNG-ZDFLXESQSA-N 0 1 398.297 3.233 20 0 GGADMN C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594287511 999112286 /nfs/dbraw/zinc/11/22/86/999112286.db2.gz WHGJNZPTZDHSFT-UKPHBRMFSA-N 0 1 398.425 3.239 20 0 GGADMN CO[C@H](C)c1nc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cs1 ZINC001599042868 999130090 /nfs/dbraw/zinc/13/00/90/999130090.db2.gz RIGGBFBZXPLMAB-VXGBXAGGSA-N 0 1 377.466 3.056 20 0 GGADMN CO[C@@H](C)c1nc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cs1 ZINC001599042865 999130174 /nfs/dbraw/zinc/13/01/74/999130174.db2.gz RIGGBFBZXPLMAB-NEPJUHHUSA-N 0 1 377.466 3.056 20 0 GGADMN C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001594300476 999160376 /nfs/dbraw/zinc/16/03/76/999160376.db2.gz SGWMXHXOCDLEHA-NWJSVONSSA-N 0 1 388.386 3.088 20 0 GGADMN C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001594300512 999160887 /nfs/dbraw/zinc/16/08/87/999160887.db2.gz TWELNMNCJFAKMG-ZWUHOBOKSA-N 0 1 397.313 3.295 20 0 GGADMN CO[C@@H](C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1)C1CCCCC1 ZINC001599048859 999172117 /nfs/dbraw/zinc/17/21/17/999172117.db2.gz ZOVGGXKMHGKDFL-RKQJOMJXSA-N 0 1 395.540 3.336 20 0 GGADMN C[C@@H]1CC[C@@](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324484 999251845 /nfs/dbraw/zinc/25/18/45/999251845.db2.gz ZJKHDCKMLGYBDX-IFZYUDKTSA-N 0 1 376.472 3.193 20 0 GGADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001594366666 999385672 /nfs/dbraw/zinc/38/56/72/999385672.db2.gz MMLZRWUZAHJKGD-WCMCAJIFSA-N 0 1 394.462 3.102 20 0 GGADMN C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001594366662 999385707 /nfs/dbraw/zinc/38/57/07/999385707.db2.gz MMLZRWUZAHJKGD-CKNFYHOISA-N 0 1 394.462 3.102 20 0 GGADMN C[C@H](CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)[N@H+]1CCCC[C@@H]1C ZINC001594374735 999411977 /nfs/dbraw/zinc/41/19/77/999411977.db2.gz SRPULWLRTLBSTF-LSDHHAIUSA-N 0 1 398.507 3.197 20 0 GGADMN C[C@H](CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)[N@H+]1CCCC[C@H]1C ZINC001594374733 999412079 /nfs/dbraw/zinc/41/20/79/999412079.db2.gz SRPULWLRTLBSTF-HUUCEWRRSA-N 0 1 398.507 3.197 20 0 GGADMN C[C@@H](CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)[N@H+]1CCCC[C@@H]1C ZINC001594374730 999412264 /nfs/dbraw/zinc/41/22/64/999412264.db2.gz SRPULWLRTLBSTF-GJZGRUSLSA-N 0 1 398.507 3.197 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001594375080 999414312 /nfs/dbraw/zinc/41/43/12/999414312.db2.gz WTEBHQHHBONNLO-HUUCEWRRSA-N 0 1 390.505 3.079 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001594375081 999414426 /nfs/dbraw/zinc/41/44/26/999414426.db2.gz WTEBHQHHBONNLO-LSDHHAIUSA-N 0 1 390.505 3.079 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594375414 999416138 /nfs/dbraw/zinc/41/61/38/999416138.db2.gz RBBZWMTUHREWPG-LBPRGKRZSA-N 0 1 383.286 3.142 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380378 999436173 /nfs/dbraw/zinc/43/61/73/999436173.db2.gz KWOCEHVFHUUACY-QAPCUYQASA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380378 999436175 /nfs/dbraw/zinc/43/61/75/999436175.db2.gz KWOCEHVFHUUACY-QAPCUYQASA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001594380606 999437874 /nfs/dbraw/zinc/43/78/74/999437874.db2.gz QNFIPVLMVQOCKW-NVXWUHKLSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001594380606 999437878 /nfs/dbraw/zinc/43/78/78/999437878.db2.gz QNFIPVLMVQOCKW-NVXWUHKLSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001594380607 999438180 /nfs/dbraw/zinc/43/81/80/999438180.db2.gz QNFIPVLMVQOCKW-RDJZCZTQSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001594380607 999438183 /nfs/dbraw/zinc/43/81/83/999438183.db2.gz QNFIPVLMVQOCKW-RDJZCZTQSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001594380896 999440328 /nfs/dbraw/zinc/44/03/28/999440328.db2.gz YJSXNKUCHNLSLJ-CQSZACIVSA-N 0 1 391.487 3.102 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](CC(=O)[O-])C3CC3)cc2)C1 ZINC001594382764 999444082 /nfs/dbraw/zinc/44/40/82/999444082.db2.gz BVMPFTPUVQVATP-OXJNMPFZSA-N 0 1 387.524 3.219 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001594383065 999445734 /nfs/dbraw/zinc/44/57/34/999445734.db2.gz FZEGLDOYHUNTGI-INIZCTEOSA-N 0 1 396.491 3.262 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC001594383160 999446484 /nfs/dbraw/zinc/44/64/84/999446484.db2.gz KWDRONIWJXOLQP-CHWSQXEVSA-N 0 1 399.438 3.271 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])n2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383372 999447642 /nfs/dbraw/zinc/44/76/42/999447642.db2.gz ISCXPNYKCLDZDQ-GOEBONIOSA-N 0 1 379.501 3.239 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594383481 999448072 /nfs/dbraw/zinc/44/80/72/999448072.db2.gz NBJSWPLKVRVRSO-JFIYKMOQSA-N 0 1 375.513 3.258 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383828 999451196 /nfs/dbraw/zinc/45/11/96/999451196.db2.gz MAHUCVVOABTGMH-WMLDXEAASA-N 0 1 377.485 3.295 20 0 GGADMN C[C@H](CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)[N@H+]1CCC[C@@H](C)C1 ZINC001594384021 999452489 /nfs/dbraw/zinc/45/24/89/999452489.db2.gz RIGBOORTLGTUQD-HUUCEWRRSA-N 0 1 387.480 3.093 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ncc(C(=O)[O-])s2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594384358 999455355 /nfs/dbraw/zinc/45/53/55/999455355.db2.gz MWHTYBRNEZGCFE-STQMWFEESA-N 0 1 383.514 3.357 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ncc(C(=O)[O-])s2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594384358 999455357 /nfs/dbraw/zinc/45/53/57/999455357.db2.gz MWHTYBRNEZGCFE-STQMWFEESA-N 0 1 383.514 3.357 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)cc2)C1 ZINC001594384536 999457023 /nfs/dbraw/zinc/45/70/23/999457023.db2.gz SKPSXJGEJWRDNB-VGOFRKELSA-N 0 1 387.524 3.315 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594384720 999458611 /nfs/dbraw/zinc/45/86/11/999458611.db2.gz QJBXBPMBFMIVQN-OCCSQVGLSA-N 0 1 383.514 3.357 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001594384848 999459750 /nfs/dbraw/zinc/45/97/50/999459750.db2.gz WYCACYVMKGUVSO-WEUUYRGXSA-N 0 1 399.535 3.217 20 0 GGADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C[C@@H]1n1ccnc1 ZINC001594412617 999541657 /nfs/dbraw/zinc/54/16/57/999541657.db2.gz POOQXIZRGIWGRN-UHOFOFEASA-N 0 1 378.270 3.354 20 0 GGADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594412926 999543480 /nfs/dbraw/zinc/54/34/80/999543480.db2.gz VXGPCUINPQQCEU-CKEIUWERSA-N 0 1 380.460 3.434 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1F ZINC001594418999 999563635 /nfs/dbraw/zinc/56/36/35/999563635.db2.gz MVSXPJCPYQUDIT-RDTXWAMCSA-N 0 1 379.476 3.184 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1F ZINC001594418997 999563643 /nfs/dbraw/zinc/56/36/43/999563643.db2.gz MVSXPJCPYQUDIT-KDOFPFPSSA-N 0 1 379.476 3.184 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@H]1C(=O)OC(C)(C)C ZINC001594422503 999574782 /nfs/dbraw/zinc/57/47/82/999574782.db2.gz FHFRXSHDWBNAGU-WMLDXEAASA-N 0 1 376.497 3.322 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594423339 999579983 /nfs/dbraw/zinc/57/99/83/999579983.db2.gz TVAHCMRWVDTHPS-DOTOQJQBSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@@H](c4ccccn4)C3)c2C(=O)[O-])C1 ZINC001594444290 999633158 /nfs/dbraw/zinc/63/31/58/999633158.db2.gz NZUPVOVSOQIGIB-ZIAGYGMSSA-N 0 1 399.516 3.394 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@@H](c4ccccn4)C3)c2C(=O)[O-])C1 ZINC001594444290 999633160 /nfs/dbraw/zinc/63/31/60/999633160.db2.gz NZUPVOVSOQIGIB-ZIAGYGMSSA-N 0 1 399.516 3.394 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C[C@H]3CCOC3)C3CC3)c2C(=O)[O-])C1 ZINC001594444549 999634110 /nfs/dbraw/zinc/63/41/10/999634110.db2.gz UERZLJIBGRPXFJ-CHWSQXEVSA-N 0 1 392.521 3.011 20 0 GGADMN C[C@@H](C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C1CC1)C(=O)[O-] ZINC001594444629 999634866 /nfs/dbraw/zinc/63/48/66/999634866.db2.gz WYWPDFPOEWJKNC-NEPJUHHUSA-N 0 1 388.537 3.126 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@@H]4CSC[C@@H]4C3)c2C(=O)[O-])C1 ZINC001594444780 999635572 /nfs/dbraw/zinc/63/55/72/999635572.db2.gz ZXSBHHKJDASHNR-UPJWGTAASA-N 0 1 394.562 3.195 20 0 GGADMN C[C@@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594464676 999680341 /nfs/dbraw/zinc/68/03/41/999680341.db2.gz CONAHRLXGKDCBN-CQSZACIVSA-N 0 1 384.929 3.220 20 0 GGADMN C[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC[N@H+]1CCC(=O)[O-] ZINC001594465008 999681517 /nfs/dbraw/zinc/68/15/17/999681517.db2.gz IVPGWRJLFSGENR-HNNXBMFYSA-N 0 1 388.439 3.026 20 0 GGADMN C[C@@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)CC[N@@H+]1CCC(=O)[O-] ZINC001594468038 999696149 /nfs/dbraw/zinc/69/61/49/999696149.db2.gz LEPDHWHOMCLXMC-LLVKDONJSA-N 0 1 391.320 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)CSc2cc(Cl)ccc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594468038 999696151 /nfs/dbraw/zinc/69/61/51/999696151.db2.gz LEPDHWHOMCLXMC-LLVKDONJSA-N 0 1 391.320 3.093 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@H](CO)C[C@H](O)c2ccccc2)s1 ZINC000281961260 1126079378 /nfs/dbraw/zinc/07/93/78/1126079378.db2.gz JIKGQCMCKISHIB-HOCLYGCPSA-N 0 1 393.509 3.064 20 0 GGADMN COc1cc(C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)[O-])cc(OC)c1 ZINC000417577876 1126080738 /nfs/dbraw/zinc/08/07/38/1126080738.db2.gz XIWWOWHFQGGUSA-HNNXBMFYSA-N 0 1 378.494 3.243 20 0 GGADMN COC(=O)c1ccc(Cl)c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 ZINC000482234216 1126094899 /nfs/dbraw/zinc/09/48/99/1126094899.db2.gz LBGRYGYVAQQUEJ-IAGOWNOFSA-N 0 1 383.822 3.454 20 0 GGADMN COc1ccccc1-c1ncc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)cn1 ZINC000491403506 1126094912 /nfs/dbraw/zinc/09/49/12/1126094912.db2.gz YKBYUKUISZZYPZ-QUCCMNQESA-N 0 1 399.441 3.479 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000500222253 1126095280 /nfs/dbraw/zinc/09/52/80/1126095280.db2.gz OEAKTSMOLXLCMF-AWEZNQCLSA-N 0 1 395.265 3.406 20 0 GGADMN CCOC(=O)c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)[nH]c1C ZINC000590646120 1126098639 /nfs/dbraw/zinc/09/86/39/1126098639.db2.gz NFJVNDFYSXQYIG-SJORKVTESA-N 0 1 384.398 3.124 20 0 GGADMN O[C@H]([C@@H](Cc1ccccc1)NCc1cccc2c1OCCCO2)C(F)(F)F ZINC000604766095 1126099785 /nfs/dbraw/zinc/09/97/85/1126099785.db2.gz ORXBTPGREIPPEP-VQIMIIECSA-N 0 1 381.394 3.472 20 0 GGADMN COc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc2c1OCO2 ZINC000604766104 1126099858 /nfs/dbraw/zinc/09/98/58/1126099858.db2.gz PNCIQUIWAAEMDO-KBXCAEBGSA-N 0 1 383.366 3.048 20 0 GGADMN O[C@H]([C@@H](Cc1ccccc1)NCc1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000604766321 1126099997 /nfs/dbraw/zinc/09/99/97/1126099997.db2.gz OUZLLEVAHYBTSO-RTBURBONSA-N 0 1 375.394 3.496 20 0 GGADMN COc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(OC)c1OC ZINC000604766651 1126100299 /nfs/dbraw/zinc/10/02/99/1126100299.db2.gz YORNEDXRTVXQFM-HNAYVOBHSA-N 0 1 399.409 3.337 20 0 GGADMN Cn1c(=O)c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc2ccccc21 ZINC000640566541 1126102953 /nfs/dbraw/zinc/10/29/53/1126102953.db2.gz FSFXWXMMDGYVIG-PKOBYXMFSA-N 0 1 390.405 3.163 20 0 GGADMN Cn1c(=O)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc2ccccc21 ZINC000640566540 1126103025 /nfs/dbraw/zinc/10/30/25/1126103025.db2.gz FSFXWXMMDGYVIG-MJGOQNOKSA-N 0 1 390.405 3.163 20 0 GGADMN Cn1c(=O)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc2ccccc21 ZINC000640566538 1126103133 /nfs/dbraw/zinc/10/31/33/1126103133.db2.gz FSFXWXMMDGYVIG-HKUYNNGSSA-N 0 1 390.405 3.163 20 0 GGADMN COc1cc(OC)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1F ZINC000651711198 1126103831 /nfs/dbraw/zinc/10/38/31/1126103831.db2.gz BMVNNNRKLBVUTQ-YJBOKZPZSA-N 0 1 387.373 3.467 20 0 GGADMN COc1cc(OC)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1F ZINC000651711197 1126103939 /nfs/dbraw/zinc/10/39/39/1126103939.db2.gz BMVNNNRKLBVUTQ-QAPCUYQASA-N 0 1 387.373 3.467 20 0 GGADMN COc1cc(F)c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000651711326 1126103977 /nfs/dbraw/zinc/10/39/77/1126103977.db2.gz GSRGFTAOVDPJGE-CRAIPNDOSA-N 0 1 387.373 3.467 20 0 GGADMN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)nc1)C(F)(F)F ZINC000675157830 1126105169 /nfs/dbraw/zinc/10/51/69/1126105169.db2.gz DIPAWDJUVUAOFX-MJGOQNOKSA-N 0 1 379.426 3.306 20 0 GGADMN Cc1nn2c(nc(C)c2CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000678929763 1126105667 /nfs/dbraw/zinc/10/56/67/1126105667.db2.gz MZYYVSRFTKSNPE-DZGCQCFKSA-N 0 1 384.427 3.032 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCc2cnc(NC(=O)OC(C)(C)C)s2)C1(C)C ZINC000800266705 1126110453 /nfs/dbraw/zinc/11/04/53/1126110453.db2.gz KENHTGOXXYAZMZ-SCLBCKFNSA-N 0 1 385.530 3.146 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCc2cnc(NC(=O)OC(C)(C)C)s2)C1(C)C ZINC000800266704 1126110654 /nfs/dbraw/zinc/11/06/54/1126110654.db2.gz KENHTGOXXYAZMZ-FZKQIMNGSA-N 0 1 385.530 3.146 20 0 GGADMN CC(C)(C)c1csc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])n1 ZINC000864508604 1126113224 /nfs/dbraw/zinc/11/32/24/1126113224.db2.gz BRKLNMDDSMUKSU-AWEZNQCLSA-N 0 1 390.505 3.387 20 0 GGADMN Cc1ccc(C[C@H](CO)NCc2c(Cl)n(C)nc2C(F)(F)F)cc1C ZINC000835072406 1126111409 /nfs/dbraw/zinc/11/14/09/1126111409.db2.gz FJUBBCOOGGAACV-CYBMUJFWSA-N 0 1 375.822 3.402 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1ccccc1I ZINC000766488282 1126109023 /nfs/dbraw/zinc/10/90/23/1126109023.db2.gz KMZMPXGHCKBDRW-HNNXBMFYSA-N 0 1 385.220 3.124 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ccnc(Cl)c2Cl)cc1OC ZINC000873193846 1126121175 /nfs/dbraw/zinc/12/11/75/1126121175.db2.gz SATGRABCGJCOSQ-SFHVURJKSA-N 0 1 385.291 3.489 20 0 GGADMN Cn1nc(C(F)(F)F)c(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1Cl ZINC000894259552 1126126169 /nfs/dbraw/zinc/12/61/69/1126126169.db2.gz WQICQOXGKUNWMB-NSHDSACASA-N 0 1 386.805 3.267 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000933428763 1126139000 /nfs/dbraw/zinc/13/90/00/1126139000.db2.gz PQQFHJQUQUUSTP-INIZCTEOSA-N 0 1 391.821 3.184 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc(C(F)(F)F)cs2)cc1OC ZINC000933446811 1126143950 /nfs/dbraw/zinc/14/39/50/1126143950.db2.gz SPOTWIPFRCXIGS-MRXNPFEDSA-N 0 1 390.427 3.262 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc3c(s2)C[C@H](C)CC3)cc1OC ZINC001461735611 1126197040 /nfs/dbraw/zinc/19/70/40/1126197040.db2.gz NOPSQBMJELNOSI-SPLOXXLWSA-N 0 1 390.549 3.368 20 0 GGADMN COC(=O)c1ccc(OC)c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001473749077 1126198544 /nfs/dbraw/zinc/19/85/44/1126198544.db2.gz DBDMHIIJHRYNJY-FUHWJXTLSA-N 0 1 397.393 3.106 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2ccc(C)c(C)c2)cc1O ZINC001474566830 1126204845 /nfs/dbraw/zinc/20/48/45/1126204845.db2.gz VYSOPPALVZHDLB-INIZCTEOSA-N 0 1 394.309 3.473 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001560100013 1126207297 /nfs/dbraw/zinc/20/72/97/1126207297.db2.gz CKIGOQNPJMOQKI-WMLDXEAASA-N 0 1 385.382 3.253 20 0 GGADMN COC(=O)c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(C)s1 ZINC001560100427 1126207697 /nfs/dbraw/zinc/20/76/97/1126207697.db2.gz LMXDCBHLHUXLSF-ZBFHGGJFSA-N 0 1 387.423 3.467 20 0 GGADMN COC(=O)c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)c1 ZINC001644302147 1126246961 /nfs/dbraw/zinc/24/69/61/1126246961.db2.gz QKNJMSNWJNSDEJ-SJORKVTESA-N 0 1 385.357 3.236 20 0 GGADMN COC(=O)c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)c1 ZINC001644302145 1126246977 /nfs/dbraw/zinc/24/69/77/1126246977.db2.gz QKNJMSNWJNSDEJ-IAGOWNOFSA-N 0 1 385.357 3.236 20 0 GGADMN Cc1ccc(C[C@H](CO)NCc2cn(-c3ccc(F)cc3Cl)nn2)cc1C 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/nfs/dbraw/zinc/19/06/81/564190681.db2.gz MSXSOLYHCMDIGN-QHCPKHFHSA-N 0 1 377.409 3.385 20 0 GGADMN O=C(Nc1cc[nH]n1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000115349206 564191750 /nfs/dbraw/zinc/19/17/50/564191750.db2.gz BXLBTARUPAVIAX-UHFFFAOYSA-N 0 1 376.825 3.116 20 0 GGADMN Brc1ccc(-c2c[nH]c(CNCCOC[C@@H]3CCCO3)n2)cc1 ZINC000115625754 564196342 /nfs/dbraw/zinc/19/63/42/564196342.db2.gz KAABDYIMUXKNLJ-HNNXBMFYSA-N 0 1 380.286 3.124 20 0 GGADMN Brc1cccc(-c2c[nH]c(CNCCOC[C@H]3CCCO3)n2)c1 ZINC000115625562 564196681 /nfs/dbraw/zinc/19/66/81/564196681.db2.gz PGUURHZIXPOUIN-OAHLLOKOSA-N 0 1 380.286 3.124 20 0 GGADMN NC(=O)[C@H](NCC1(c2cccc(Br)c2)CC1)c1ccc(F)cc1 ZINC000115600824 564196781 /nfs/dbraw/zinc/19/67/81/564196781.db2.gz OJFJRHQIRSRBKJ-MRXNPFEDSA-N 0 1 377.257 3.436 20 0 GGADMN Nc1cc(N)nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000003510272 564198228 /nfs/dbraw/zinc/19/82/28/564198228.db2.gz SQIIVJYDCUVDEK-UHFFFAOYSA-N 0 1 377.779 3.044 20 0 GGADMN O=C(CN1CCN(CCc2cccs2)CC1)Nc1ccc(F)cc1Cl ZINC000115816293 564199068 /nfs/dbraw/zinc/19/90/68/564199068.db2.gz WDPASVQXRVGBJM-UHFFFAOYSA-N 0 1 381.904 3.339 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000115902324 564200219 /nfs/dbraw/zinc/20/02/19/564200219.db2.gz YMLZTQXYXKYILC-GFCCVEGCSA-N 0 1 399.150 3.130 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000115902324 564200222 /nfs/dbraw/zinc/20/02/22/564200222.db2.gz YMLZTQXYXKYILC-GFCCVEGCSA-N 0 1 399.150 3.130 20 0 GGADMN CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000116143359 564203957 /nfs/dbraw/zinc/20/39/57/564203957.db2.gz DGLLWSUBZYWVKC-UHFFFAOYSA-N 0 1 394.301 3.339 20 0 GGADMN NC(=O)[C@@H](NCCCc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000116394145 564209334 /nfs/dbraw/zinc/20/93/34/564209334.db2.gz CIVWURVQJNPAOD-INIZCTEOSA-N 0 1 383.236 3.476 20 0 GGADMN CCCN1CCC[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000116439288 564210417 /nfs/dbraw/zinc/21/04/17/564210417.db2.gz GCBDRPASCNVYCB-GFCCVEGCSA-N 0 1 394.203 3.382 20 0 GGADMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000005602562 564217672 /nfs/dbraw/zinc/21/76/72/564217672.db2.gz ZNEDZJODEOROPJ-UHFFFAOYSA-N 0 1 380.274 3.198 20 0 GGADMN COc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000006897747 564229034 /nfs/dbraw/zinc/22/90/34/564229034.db2.gz CEKFLJTUILFMOO-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN NC(=O)CCN(CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000117871690 564233421 /nfs/dbraw/zinc/23/34/21/564233421.db2.gz RQWAFVFGXPHEHC-VWLOTQADSA-N 0 1 399.343 3.479 20 0 GGADMN COC(=O)c1sc(NS(=O)(=O)c2cccc(Br)c2)cc1C ZINC000007727209 564239531 /nfs/dbraw/zinc/23/95/31/564239531.db2.gz YVNMIAJLVLYBRR-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN O=C1CCCN1c1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000007726653 564239785 /nfs/dbraw/zinc/23/97/85/564239785.db2.gz LPNWXPRIJDAUPE-UHFFFAOYSA-N 0 1 395.278 3.377 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2)N(C)C)c1 ZINC000007684474 564239934 /nfs/dbraw/zinc/23/99/34/564239934.db2.gz FGMYYIBFBYLYRC-QGZVFWFLSA-N 0 1 377.282 3.490 20 0 GGADMN CC(C)(CNCc1ccncc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455116 564240354 /nfs/dbraw/zinc/24/03/54/564240354.db2.gz GXYKKMMIYLBYFY-UHFFFAOYSA-N 0 1 383.311 3.186 20 0 GGADMN Cc1cc(N(C)C)nc(NCc2cnn(-c3ccc(Br)cc3)c2)n1 ZINC000507741833 564241978 /nfs/dbraw/zinc/24/19/78/564241978.db2.gz OAJFWWIZEDORHW-UHFFFAOYSA-N 0 1 387.285 3.411 20 0 GGADMN COc1ccc([C@@H](C)NCC(=O)Nc2c(C)nn(C)c2C)cc1Br ZINC000007879666 564242630 /nfs/dbraw/zinc/24/26/30/564242630.db2.gz ZWFMFCBZIFTBHQ-SNVBAGLBSA-N 0 1 395.301 3.097 20 0 GGADMN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000007940337 564243358 /nfs/dbraw/zinc/24/33/58/564243358.db2.gz RHKAGPPQVYOXEE-UHFFFAOYSA-N 0 1 391.301 3.372 20 0 GGADMN NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000007940368 564243749 /nfs/dbraw/zinc/24/37/49/564243749.db2.gz SMJZNSZKRHBOMY-UHFFFAOYSA-N 0 1 391.301 3.372 20 0 GGADMN C[C@@H](O)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000118732110 564245019 /nfs/dbraw/zinc/24/50/19/564245019.db2.gz FZZPMGBHGMAHKJ-LLVKDONJSA-N 0 1 378.270 3.072 20 0 GGADMN O=C(COc1cccc(F)c1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000008115346 564246511 /nfs/dbraw/zinc/24/65/11/564246511.db2.gz WVNPZURLKFGDCW-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN O=C(Nc1cccc(Br)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118786819 564246489 /nfs/dbraw/zinc/24/64/89/564246489.db2.gz DVFHCGOADOMFHN-AWEZNQCLSA-N 0 1 382.302 3.025 20 0 GGADMN CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCN(C)C1 ZINC000118841480 564247276 /nfs/dbraw/zinc/24/72/76/564247276.db2.gz VLGZTYYVPYMQOL-CYBMUJFWSA-N 0 1 379.353 3.041 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cccc(C)c3Br)CC2)c1 ZINC000118949105 564248352 /nfs/dbraw/zinc/24/83/52/564248352.db2.gz ZNOBKWLBMXKGAG-UHFFFAOYSA-N 0 1 390.281 3.124 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(Br)c2)N(C)C)c1 ZINC000010018133 564255415 /nfs/dbraw/zinc/25/54/15/564255415.db2.gz HFUAITCJBXYKAV-QGZVFWFLSA-N 0 1 377.282 3.490 20 0 GGADMN CN(CCNCc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000119221639 564260198 /nfs/dbraw/zinc/26/01/98/564260198.db2.gz FBPHOTNVPIQHOY-UHFFFAOYSA-N 0 1 396.431 3.316 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)C(=O)CSc1n[nH]c(=S)s1)CCC2 ZINC000119228582 564260815 /nfs/dbraw/zinc/26/08/15/564260815.db2.gz ACZGILJOWYLXIK-VIFPVBQESA-N 0 1 386.593 3.474 20 0 GGADMN Cc1ccc(I)cc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000119245204 564261727 /nfs/dbraw/zinc/26/17/27/564261727.db2.gz KDKCPRKJOQVENY-UHFFFAOYSA-N 0 1 395.244 3.309 20 0 GGADMN COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OC ZINC000011390954 564262881 /nfs/dbraw/zinc/26/28/81/564262881.db2.gz DIAHPTPMRNXWIX-UHFFFAOYSA-N 0 1 375.479 3.074 20 0 GGADMN CCc1nc(SCC(=O)Nc2c(F)cc(F)cc2Br)n[nH]1 ZINC000011717704 564264918 /nfs/dbraw/zinc/26/49/18/564264918.db2.gz DWXNWVAUIAELGY-UHFFFAOYSA-N 0 1 377.214 3.139 20 0 GGADMN CCc1n[nH]c(SCC(=O)Nc2c(F)cc(F)cc2Br)n1 ZINC000011717704 564264923 /nfs/dbraw/zinc/26/49/23/564264923.db2.gz DWXNWVAUIAELGY-UHFFFAOYSA-N 0 1 377.214 3.139 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000012068336 564265682 /nfs/dbraw/zinc/26/56/82/564265682.db2.gz ZSAOMRHSUCLULG-UHFFFAOYSA-N 0 1 380.853 3.058 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(-c2cccs2)on1 ZINC000012557005 564269205 /nfs/dbraw/zinc/26/92/05/564269205.db2.gz UEXONBVRDCRQMT-UHFFFAOYSA-N 0 1 378.431 3.132 20 0 GGADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)cn2)c(Br)c1 ZINC000508688890 564270300 /nfs/dbraw/zinc/27/03/00/564270300.db2.gz YTEGZSVSNQEVLE-UHFFFAOYSA-N 0 1 391.313 3.217 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000012741215 564270745 /nfs/dbraw/zinc/27/07/45/564270745.db2.gz IUEIGTFOTKRFRQ-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN CS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000012829535 564271354 /nfs/dbraw/zinc/27/13/54/564271354.db2.gz RFERJVKZMIORMA-UHFFFAOYSA-N 0 1 375.837 3.386 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000012783654 564271802 /nfs/dbraw/zinc/27/18/02/564271802.db2.gz KSCFICKBEMHMJK-UHFFFAOYSA-N 0 1 393.734 3.008 20 0 GGADMN Cn1cc(-c2csc(NC(=O)c3ccc(Br)c(O)c3)n2)cn1 ZINC000119462960 564272549 /nfs/dbraw/zinc/27/25/49/564272549.db2.gz GIJPDVIHMHSVQX-UHFFFAOYSA-N 0 1 379.239 3.264 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012982469 564273494 /nfs/dbraw/zinc/27/34/94/564273494.db2.gz LXSYDLYCXNGPRF-UHFFFAOYSA-N 0 1 382.835 3.264 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2NC1=O ZINC000012977491 564273545 /nfs/dbraw/zinc/27/35/45/564273545.db2.gz IXBOHENLPQNNBM-RISCZKNCSA-N 0 1 375.519 3.214 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000119529857 564275484 /nfs/dbraw/zinc/27/54/84/564275484.db2.gz DMXPWXYEWFEQAW-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119575231 564277425 /nfs/dbraw/zinc/27/74/25/564277425.db2.gz WNYVVDQTDGYBCX-UHFFFAOYSA-N 0 1 395.352 3.118 20 0 GGADMN O=C(c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)N1CCCC1 ZINC000014051401 564279609 /nfs/dbraw/zinc/27/96/09/564279609.db2.gz BFZYSOHYLAFZKK-UHFFFAOYSA-N 0 1 380.853 3.082 20 0 GGADMN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cc(F)cc(F)c1 ZINC000014097782 564279708 /nfs/dbraw/zinc/27/97/08/564279708.db2.gz FOIJIEWXZUPNER-UHFFFAOYSA-N 0 1 388.823 3.256 20 0 GGADMN CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000014520497 564282229 /nfs/dbraw/zinc/28/22/29/564282229.db2.gz XGQLDEOAPREKOO-UHFFFAOYSA-N 0 1 376.913 3.461 20 0 GGADMN CN1CCN(Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000119677907 564283116 /nfs/dbraw/zinc/28/31/16/564283116.db2.gz PILQOYDLPAEIKA-UHFFFAOYSA-N 0 1 376.298 3.171 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CC3)ccc2Cl)cc1 ZINC000015500918 564288233 /nfs/dbraw/zinc/28/82/33/564288233.db2.gz MLOZEUKMWMCZPT-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN O=S(=O)(Nc1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000119839412 564291151 /nfs/dbraw/zinc/29/11/51/564291151.db2.gz KKXFJZPFWLYWNH-UHFFFAOYSA-N 0 1 384.860 3.112 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)nc1 ZINC000016091998 564291503 /nfs/dbraw/zinc/29/15/03/564291503.db2.gz NUKJEYBESYCYBS-DOTOQJQBSA-N 0 1 377.897 3.040 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1Cl ZINC000016147631 564291930 /nfs/dbraw/zinc/29/19/30/564291930.db2.gz TYQBMORKPRNWTF-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN Cc1cc(CC(=O)Nc2ccc(I)cc2Cl)n[nH]1 ZINC000119922913 564295216 /nfs/dbraw/zinc/29/52/16/564295216.db2.gz FLQYZHNOKIEXPY-UHFFFAOYSA-N 0 1 375.597 3.157 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000119968795 564298213 /nfs/dbraw/zinc/29/82/13/564298213.db2.gz CRFBOVHATOJXGC-ZDUSSCGKSA-N 0 1 386.489 3.217 20 0 GGADMN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000017320176 564298350 /nfs/dbraw/zinc/29/83/50/564298350.db2.gz XJIIHQVPCJUCIV-UHFFFAOYSA-N 0 1 390.408 3.084 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1nc2c(s1)CCCC2)c1cccs1 ZINC000119992390 564298919 /nfs/dbraw/zinc/29/89/19/564298919.db2.gz UZPQWDMGJNKKBN-CQSZACIVSA-N 0 1 378.567 3.228 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000119996263 564299042 /nfs/dbraw/zinc/29/90/42/564299042.db2.gz SFAXFJWKPXNXDO-MRXNPFEDSA-N 0 1 384.977 3.455 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccnc1Br ZINC000120028786 564300894 /nfs/dbraw/zinc/30/08/94/564300894.db2.gz AWASMSJQGZKYGK-CYBMUJFWSA-N 0 1 379.258 3.396 20 0 GGADMN COCCNCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000018936246 564302262 /nfs/dbraw/zinc/30/22/62/564302262.db2.gz YWFBALPGOWAIEQ-UHFFFAOYSA-N 0 1 379.254 3.416 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(O)c(Cl)c1 ZINC000120224409 564309919 /nfs/dbraw/zinc/30/99/19/564309919.db2.gz KXEQKGHLNDCIJE-UHFFFAOYSA-N 0 1 376.865 3.487 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000021866312 564312299 /nfs/dbraw/zinc/31/22/99/564312299.db2.gz SGWPQPGUXGYPBP-JTQLQIEISA-N 0 1 381.885 3.109 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000021866307 564312310 /nfs/dbraw/zinc/31/23/10/564312310.db2.gz SGWPQPGUXGYPBP-SNVBAGLBSA-N 0 1 381.885 3.109 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cn2)CC1 ZINC000022239945 564315518 /nfs/dbraw/zinc/31/55/18/564315518.db2.gz YFBRUXFZVXKDJK-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000120368211 564317059 /nfs/dbraw/zinc/31/70/59/564317059.db2.gz RFDZPVZDWSQAHG-UHFFFAOYSA-N 0 1 390.349 3.097 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(C)ccc2Cl)n(-c2ccc(C)nn2)n1 ZINC000120369174 564317806 /nfs/dbraw/zinc/31/78/06/564317806.db2.gz AMJWHKCAXMSPDV-UHFFFAOYSA-N 0 1 377.857 3.042 20 0 GGADMN CN(CCC1CCOCC1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000120401540 564318686 /nfs/dbraw/zinc/31/86/86/564318686.db2.gz LPQBXDCAFYRHJC-UHFFFAOYSA-N 0 1 391.256 3.414 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCN(C4CCCC4)C3)s2)cs1 ZINC000120417136 564318809 /nfs/dbraw/zinc/31/88/09/564318809.db2.gz VGTXGUOLFNRCSD-ZDUSSCGKSA-N 0 1 397.591 3.475 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccnn2-c2nc(C)cc(C)n2)c1 ZINC000120396771 564319052 /nfs/dbraw/zinc/31/90/52/564319052.db2.gz INBVLCOZVAOPGR-UHFFFAOYSA-N 0 1 377.857 3.042 20 0 GGADMN Cn1ccnc1[C@H](O)C1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000120504540 564322486 /nfs/dbraw/zinc/32/24/86/564322486.db2.gz DJZALGATTNLZKM-DLBZAZTESA-N 0 1 384.307 3.206 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000023323951 564323179 /nfs/dbraw/zinc/32/31/79/564323179.db2.gz KQYSWXXXXCBUFJ-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1F ZINC000120525879 564324182 /nfs/dbraw/zinc/32/41/82/564324182.db2.gz MBUYIJVDCJQJFR-UHFFFAOYSA-N 0 1 398.264 3.337 20 0 GGADMN COc1ccsc1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000120597066 564327778 /nfs/dbraw/zinc/32/77/78/564327778.db2.gz UMJRXPSECGBEQA-UHFFFAOYSA-N 0 1 380.535 3.042 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCSc2ccc(Br)cc2)n[nH]1 ZINC000542834389 564327877 /nfs/dbraw/zinc/32/78/77/564327877.db2.gz GZDQVOHIKREIQU-UHFFFAOYSA-N 0 1 398.282 3.470 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000024307698 564329284 /nfs/dbraw/zinc/32/92/84/564329284.db2.gz XGVRSSSCFMGXJJ-NSHDSACASA-N 0 1 384.889 3.101 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C)s1)c1cccc(OC)c1 ZINC000024711470 564332623 /nfs/dbraw/zinc/33/26/23/564332623.db2.gz IGJKEALNYANCNQ-KRWDZBQOSA-N 0 1 382.551 3.427 20 0 GGADMN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nc(SCCO)n[nH]1 ZINC000120718769 564333352 /nfs/dbraw/zinc/33/33/52/564333352.db2.gz VMOXQOGPFVKGCW-UHFFFAOYSA-N 0 1 395.897 3.227 20 0 GGADMN Cc1nn(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)c(C)c1Br ZINC000120697881 564333499 /nfs/dbraw/zinc/33/34/99/564333499.db2.gz FJKWLUWYBZXMOU-UHFFFAOYSA-N 0 1 391.313 3.029 20 0 GGADMN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc2c[nH]nc21 ZINC000024854077 564333815 /nfs/dbraw/zinc/33/38/15/564333815.db2.gz DTHTZCZFIKJYIP-UHFFFAOYSA-N 0 1 387.237 3.036 20 0 GGADMN COC(=O)COc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000024957554 564334869 /nfs/dbraw/zinc/33/48/69/564334869.db2.gz IETRBHFLRIDHSJ-UHFFFAOYSA-N 0 1 390.244 3.346 20 0 GGADMN Cc1cccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000120761914 564336097 /nfs/dbraw/zinc/33/60/97/564336097.db2.gz UDHWDZVVKVVJAH-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2NC1=O ZINC000025328867 564337684 /nfs/dbraw/zinc/33/76/84/564337684.db2.gz QVQSHMVETHEBDZ-IAQYHMDHSA-N 0 1 375.519 3.214 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCc1nc(-c2cccs2)no1)c1ccsc1 ZINC000025331239 564337810 /nfs/dbraw/zinc/33/78/10/564337810.db2.gz IEQJHSSNZKDPQZ-ZDUSSCGKSA-N 0 1 376.507 3.211 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2NC1=O ZINC000025328868 564337823 /nfs/dbraw/zinc/33/78/23/564337823.db2.gz QVQSHMVETHEBDZ-NHYWBVRUSA-N 0 1 375.519 3.214 20 0 GGADMN CN(C)[C@H](CNC(=O)CCc1nc(-c2cccs2)no1)c1ccsc1 ZINC000025331240 564337843 /nfs/dbraw/zinc/33/78/43/564337843.db2.gz IEQJHSSNZKDPQZ-CYBMUJFWSA-N 0 1 376.507 3.211 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccsc1 ZINC000025331593 564337899 /nfs/dbraw/zinc/33/78/99/564337899.db2.gz 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/nfs/dbraw/zinc/34/37/88/564343788.db2.gz KCTHNRDGFMTYEX-LBPRGKRZSA-N 0 1 390.285 3.168 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000026369249 564346948 /nfs/dbraw/zinc/34/69/48/564346948.db2.gz NXGWTEHRJRNNFL-QWHCGFSZSA-N 0 1 380.897 3.421 20 0 GGADMN COCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)CC(C)C ZINC000026450398 564347180 /nfs/dbraw/zinc/34/71/80/564347180.db2.gz XTJWTGWJAVJVID-UHFFFAOYSA-N 0 1 391.295 3.323 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC)cc1Br ZINC000026546739 564347682 /nfs/dbraw/zinc/34/76/82/564347682.db2.gz TWEUUWOOBSZLOQ-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c(Br)c1 ZINC000026539473 564348116 /nfs/dbraw/zinc/34/81/16/564348116.db2.gz QCBIYSGBPBVUJJ-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000026661310 564348644 /nfs/dbraw/zinc/34/86/44/564348644.db2.gz AOPGECNBHVCBQM-CYBMUJFWSA-N 0 1 393.336 3.221 20 0 GGADMN CCC[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000121062711 564350952 /nfs/dbraw/zinc/35/09/52/564350952.db2.gz MQZFNHBREDKIBC-AWEZNQCLSA-N 0 1 396.329 3.016 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C(C)C)C1CC1 ZINC000026941928 564352024 /nfs/dbraw/zinc/35/20/24/564352024.db2.gz WHSHPIJMFQAATP-UHFFFAOYSA-N 0 1 396.329 3.027 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)Nc2nnc(SCc3ccccc3)s2)CCN1C ZINC000543534044 564353487 /nfs/dbraw/zinc/35/34/87/564353487.db2.gz LNVCEBUTOAYEAT-OLZOCXBDSA-N 0 1 377.539 3.387 20 0 GGADMN COc1ccc(Br)cc1CN(CCC(N)=O)Cc1ccccc1 ZINC000027548932 564354734 /nfs/dbraw/zinc/35/47/34/564354734.db2.gz JFESILRXLDRAHA-UHFFFAOYSA-N 0 1 377.282 3.335 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000121155179 564356094 /nfs/dbraw/zinc/35/60/94/564356094.db2.gz GKFZKMSZRXSTRQ-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000121158505 564356324 /nfs/dbraw/zinc/35/63/24/564356324.db2.gz PVIOEYYWFWINAZ-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN COc1ccsc1S(=O)(=O)Nc1cc(OC)ccc1Br ZINC000121177224 564358328 /nfs/dbraw/zinc/35/83/28/564358328.db2.gz ITSUIILUMSQZHP-UHFFFAOYSA-N 0 1 378.269 3.329 20 0 GGADMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121198072 564358858 /nfs/dbraw/zinc/35/88/58/564358858.db2.gz UKJGYHZVMKMTFD-ZDUSSCGKSA-N 0 1 385.580 3.285 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000028013724 564358908 /nfs/dbraw/zinc/35/89/08/564358908.db2.gz FHSOFUCKBUJDDV-CYBMUJFWSA-N 0 1 389.721 3.189 20 0 GGADMN Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C)cc3Br)cc12 ZINC000028243663 564360537 /nfs/dbraw/zinc/36/05/37/564360537.db2.gz DYPFAQBIMBRCFA-UHFFFAOYSA-N 0 1 395.282 3.148 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1 ZINC000028196113 564360731 /nfs/dbraw/zinc/36/07/31/564360731.db2.gz OMXIDHUSYGVNNX-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN O=c1nc(Cc2cc(Br)c3c(c2)OCCCO3)[nH]c2ccsc21 ZINC000121254091 564361548 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ZINC000028890304 564364592 /nfs/dbraw/zinc/36/45/92/564364592.db2.gz LKTSCJHBECDLAR-UHFFFAOYSA-N 0 1 377.941 3.226 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(C)cc2)c1 ZINC000028813351 564364989 /nfs/dbraw/zinc/36/49/89/564364989.db2.gz ZFNRWSAHECAKBD-UHFFFAOYSA-N 0 1 379.503 3.366 20 0 GGADMN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000029324226 564369188 /nfs/dbraw/zinc/36/91/88/564369188.db2.gz UMDUSWYKFQNUDD-UHFFFAOYSA-N 0 1 384.255 3.001 20 0 GGADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000029455388 564370979 /nfs/dbraw/zinc/37/09/79/564370979.db2.gz HYLZQTPQBXHCEI-UHFFFAOYSA-N 0 1 386.876 3.357 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N2CCCN(Cc3ccccc3)CC2)n1 ZINC000029569602 564371169 /nfs/dbraw/zinc/37/11/69/564371169.db2.gz QXTRGTWMTOHISL-UHFFFAOYSA-N 0 1 376.913 3.200 20 0 GGADMN O=C(CCN1CCCN(C(=O)C2CC2)CC1)Nc1c(Cl)cccc1Cl ZINC000121485902 564371904 /nfs/dbraw/zinc/37/19/04/564371904.db2.gz GTWZFBXMFDAXIR-UHFFFAOYSA-N 0 1 384.307 3.266 20 0 GGADMN CC(C)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000121539342 564373406 /nfs/dbraw/zinc/37/34/06/564373406.db2.gz GBBUKAUYOLXAAL-UHFFFAOYSA-N 0 1 382.869 3.327 20 0 GGADMN O=S(=O)(NCc1nc(C(F)(F)F)cs1)c1c(F)cc(F)cc1F ZINC000121563388 564374672 /nfs/dbraw/zinc/37/46/72/564374672.db2.gz DVRUGLSGPVWRLB-UHFFFAOYSA-N 0 1 376.303 3.058 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cn2)CC1 ZINC000030030932 564376492 /nfs/dbraw/zinc/37/64/92/564376492.db2.gz ZLGMKAIFZPKQQH-UHFFFAOYSA-N 0 1 376.913 3.218 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)CCN1CCOC ZINC000121662523 564380263 /nfs/dbraw/zinc/38/02/63/564380263.db2.gz MDBLTQUEBYLPMR-AWEZNQCLSA-N 0 1 388.339 3.365 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)c(Cl)cc1F ZINC000121661717 564380868 /nfs/dbraw/zinc/38/08/68/564380868.db2.gz NUXFHDQNEGMANW-UHFFFAOYSA-N 0 1 384.860 3.351 20 0 GGADMN Cc1cc(NC(=O)CN2CCCC[C@H]2c2nnc[nH]2)ccc1Br ZINC000121659678 564380914 /nfs/dbraw/zinc/38/09/14/564380914.db2.gz LJARAFGQICPORX-AWEZNQCLSA-N 0 1 378.274 3.041 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@@H](C)O1 ZINC000121719722 564383527 /nfs/dbraw/zinc/38/35/27/564383527.db2.gz WIELIIZKIZWYGX-VXGBXAGGSA-N 0 1 383.901 3.286 20 0 GGADMN Fc1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1Br ZINC000030900381 564385244 /nfs/dbraw/zinc/38/52/44/564385244.db2.gz IETDEGJCOQJFEQ-UHFFFAOYSA-N 0 1 380.261 3.110 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCc1nnc(-c2ccsc2)o1)c1cccs1 ZINC000030859393 564385365 /nfs/dbraw/zinc/38/53/65/564385365.db2.gz ZIFHXPXAQOVRJP-ZDUSSCGKSA-N 0 1 376.507 3.211 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000121759711 564385538 /nfs/dbraw/zinc/38/55/38/564385538.db2.gz ZTGLFWCMRGCHNK-MRVPVSSYSA-N 0 1 395.188 3.372 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)CCN1CCOC ZINC000121807840 564387967 /nfs/dbraw/zinc/38/79/67/564387967.db2.gz SRYKMICQJALMQR-OAHLLOKOSA-N 0 1 388.339 3.365 20 0 GGADMN COc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1Br ZINC000031338588 564389081 /nfs/dbraw/zinc/38/90/81/564389081.db2.gz HDOLRJMBLNVZKO-UHFFFAOYSA-N 0 1 389.293 3.246 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000031544478 564389970 /nfs/dbraw/zinc/38/99/70/564389970.db2.gz IMXKJJPNVUDBQL-CQSZACIVSA-N 0 1 376.913 3.246 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCOC ZINC000122017963 564396047 /nfs/dbraw/zinc/39/60/47/564396047.db2.gz LDHXJKHCFRUBNP-AWEZNQCLSA-N 0 1 388.339 3.365 20 0 GGADMN Cc1nc(-c2cccs2)sc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000032268873 564396541 /nfs/dbraw/zinc/39/65/41/564396541.db2.gz DZXDJRGODHGVGL-AWEZNQCLSA-N 0 1 379.551 3.267 20 0 GGADMN O=C(c1ccc(Cl)cc1Br)N1CCN(C2CCOCC2)CC1 ZINC000121999319 564396610 /nfs/dbraw/zinc/39/66/10/564396610.db2.gz OTWGPOJDBSHBIE-UHFFFAOYSA-N 0 1 387.705 3.039 20 0 GGADMN CN(CC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)[C@@H]1CCSC1 ZINC000122090747 564400489 /nfs/dbraw/zinc/40/04/89/564400489.db2.gz JNEVFXKWJJOABI-JKSUJKDBSA-N 0 1 382.957 3.395 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1C ZINC000032441153 564400899 /nfs/dbraw/zinc/40/08/99/564400899.db2.gz GAULXMMAHHOBJY-STQMWFEESA-N 0 1 380.432 3.126 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)COc2ccc(Br)cc2)cc1F ZINC000122142858 564401391 /nfs/dbraw/zinc/40/13/91/564401391.db2.gz CRQZMGGJQZGDPI-UHFFFAOYSA-N 0 1 395.272 3.345 20 0 GGADMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCCN(C)CC1 ZINC000032716594 564404536 /nfs/dbraw/zinc/40/45/36/564404536.db2.gz CLBLYJHEUFZLPK-UHFFFAOYSA-N 0 1 378.929 3.090 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000122193581 564404628 /nfs/dbraw/zinc/40/46/28/564404628.db2.gz MGLWFUHAJLALOZ-OAHLLOKOSA-N 0 1 386.367 3.458 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000122216414 564405223 /nfs/dbraw/zinc/40/52/23/564405223.db2.gz CNSNLRAHDDGRSN-UHFFFAOYSA-N 0 1 376.253 3.349 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC000032791452 564405777 /nfs/dbraw/zinc/40/57/77/564405777.db2.gz KPGIWIALTSHGNK-NEPJUHHUSA-N 0 1 390.281 3.226 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2C)c1 ZINC000122322497 564408831 /nfs/dbraw/zinc/40/88/31/564408831.db2.gz BFWTZJPMUGTBBK-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000122378073 564411865 /nfs/dbraw/zinc/41/18/65/564411865.db2.gz AWUAVBLXHHZAHQ-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000122404876 564413030 /nfs/dbraw/zinc/41/30/30/564413030.db2.gz XRZZUNVEZACQRK-UHFFFAOYSA-N 0 1 389.252 3.054 20 0 GGADMN CN(C)Cc1cc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)no1 ZINC000478755228 564413959 /nfs/dbraw/zinc/41/39/59/564413959.db2.gz MMPMMMCICSRBOO-UHFFFAOYSA-N 0 1 381.820 3.300 20 0 GGADMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000036182372 564416561 /nfs/dbraw/zinc/41/65/61/564416561.db2.gz XNQFTDKZWGRISY-UHFFFAOYSA-N 0 1 383.491 3.023 20 0 GGADMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000122532486 564417197 /nfs/dbraw/zinc/41/71/97/564417197.db2.gz RLSGSIBVJCBPAH-UHFFFAOYSA-N 0 1 388.599 3.213 20 0 GGADMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)s1 ZINC000122514761 564417559 /nfs/dbraw/zinc/41/75/59/564417559.db2.gz GVYPMBQURYDANZ-UHFFFAOYSA-N 0 1 381.523 3.153 20 0 GGADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000036664232 564418420 /nfs/dbraw/zinc/41/84/20/564418420.db2.gz SZGQFYHLMDSHAD-OAHLLOKOSA-N 0 1 375.266 3.159 20 0 GGADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000036664232 564418421 /nfs/dbraw/zinc/41/84/21/564418421.db2.gz SZGQFYHLMDSHAD-OAHLLOKOSA-N 0 1 375.266 3.159 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1I ZINC000037028990 564419987 /nfs/dbraw/zinc/41/99/87/564419987.db2.gz QRYTZVALYIUMBH-MRXNPFEDSA-N 0 1 392.240 3.253 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1I ZINC000037028989 564419998 /nfs/dbraw/zinc/41/99/98/564419998.db2.gz QRYTZVALYIUMBH-INIZCTEOSA-N 0 1 392.240 3.253 20 0 GGADMN O=S(=O)([N-]c1cc[nH+]cc1)c1cc(Br)ccc1Br ZINC000037385848 564420558 /nfs/dbraw/zinc/42/05/58/564420558.db2.gz GUDACJQEJNVALX-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN O=S(=O)(Nc1ccncc1)c1cc(Br)ccc1Br ZINC000037385848 564420559 /nfs/dbraw/zinc/42/05/59/564420559.db2.gz GUDACJQEJNVALX-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Br ZINC000037385889 564420691 /nfs/dbraw/zinc/42/06/91/564420691.db2.gz LNXPLPWFXKQWNA-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CN(C)[C@H](CNC(=O)COCc1nc2ccccc2s1)c1cccs1 ZINC000039519308 564424430 /nfs/dbraw/zinc/42/44/30/564424430.db2.gz WGLKAFWXGUYWRQ-CQSZACIVSA-N 0 1 375.519 3.294 20 0 GGADMN O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000040118565 564426475 /nfs/dbraw/zinc/42/64/75/564426475.db2.gz JBSKRBZQJGFMEO-UHFFFAOYSA-N 0 1 375.271 3.317 20 0 GGADMN CCSc1cc(Cl)ccc1C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000122980299 564434670 /nfs/dbraw/zinc/43/46/70/564434670.db2.gz IRYLDNAYCRPBIF-KRWDZBQOSA-N 0 1 383.989 3.454 20 0 GGADMN CC[C@H](C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)N(C)C ZINC000123003020 564435494 /nfs/dbraw/zinc/43/54/94/564435494.db2.gz UJYRFOLDTPNNSU-CQSZACIVSA-N 0 1 379.258 3.310 20 0 GGADMN O=C(Nc1cc2ccc(Br)cn2n1)c1cc(=O)c2ccccc2[nH]1 ZINC000513737871 564437848 /nfs/dbraw/zinc/43/78/48/564437848.db2.gz KEMWSUGKBGDWAR-UHFFFAOYSA-N 0 1 383.205 3.191 20 0 GGADMN Fc1cc(Br)ccc1CNCc1ccnc(N2CCOCC2)c1 ZINC000042226071 564444628 /nfs/dbraw/zinc/44/46/28/564444628.db2.gz FAARPVSRAGSNAA-UHFFFAOYSA-N 0 1 380.261 3.110 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)CN(C)[C@H]3CCSC3)s2)cs1 ZINC000123342111 564444806 /nfs/dbraw/zinc/44/48/06/564444806.db2.gz QSSZNPJAKSROHM-ZDUSSCGKSA-N 0 1 381.592 3.276 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1 ZINC000123319367 564445302 /nfs/dbraw/zinc/44/53/02/564445302.db2.gz MEELBKUIQCALCF-HNNXBMFYSA-N 0 1 395.341 3.391 20 0 GGADMN CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000123492738 564450446 /nfs/dbraw/zinc/45/04/46/564450446.db2.gz NLQNATLUGZQITE-INIZCTEOSA-N 0 1 381.973 3.304 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccccc2I)CC1 ZINC000043158224 564454416 /nfs/dbraw/zinc/45/44/16/564454416.db2.gz KWIQOFPYTQBROW-UHFFFAOYSA-N 0 1 387.265 3.097 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123600682 564454572 /nfs/dbraw/zinc/45/45/72/564454572.db2.gz ACFYYYFDXCQERQ-ZIAGYGMSSA-N 0 1 388.986 3.346 20 0 GGADMN O=C(COc1ccc(Cl)cc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000043765819 564462274 /nfs/dbraw/zinc/46/22/74/564462274.db2.gz YOTMRBPVFVXIMI-OAHLLOKOSA-N 0 1 387.307 3.086 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1Cl)CC(C)(C)CN1CCOCC1 ZINC000123900232 564465436 /nfs/dbraw/zinc/46/54/36/564465436.db2.gz QFXDYRFQUQAYBH-UHFFFAOYSA-N 0 1 388.339 3.222 20 0 GGADMN CN1CC[C@@H](CNC(=O)COCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123906027 564465499 /nfs/dbraw/zinc/46/54/99/564465499.db2.gz AOQFVHKUASXWKO-NHYWBVRUSA-N 0 1 382.785 3.167 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CSCCS2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123933019 564466362 /nfs/dbraw/zinc/46/63/62/564466362.db2.gz YHURWUIYUBXBLC-KCXAZCMYSA-N 0 1 388.961 3.437 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000044332935 564466619 /nfs/dbraw/zinc/46/66/19/564466619.db2.gz NXPLHZABQPAULM-HNNXBMFYSA-N 0 1 394.313 3.017 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1CN(CCO)C1CC1 ZINC000124029151 564469177 /nfs/dbraw/zinc/46/91/77/564469177.db2.gz IDUVUFWSZCKTDF-UHFFFAOYSA-N 0 1 382.254 3.329 20 0 GGADMN CCSc1nnc(NC(=O)N2CCCN(Cc3ccccc3)CC2)s1 ZINC000515108894 564469270 /nfs/dbraw/zinc/46/92/70/564469270.db2.gz OWGRZOHUYAGYQW-UHFFFAOYSA-N 0 1 377.539 3.390 20 0 GGADMN Cc1cc(Br)oc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000044521446 564469597 /nfs/dbraw/zinc/46/95/97/564469597.db2.gz ONICUSIGFIUWMF-UHFFFAOYSA-N 0 1 392.297 3.350 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000124005824 564469608 /nfs/dbraw/zinc/46/96/08/564469608.db2.gz QFAUSOHMDHGXSW-LBPRGKRZSA-N 0 1 378.270 3.215 20 0 GGADMN OCC1(CN[C@@H](c2cccc(F)c2)c2cccc(Br)c2)COC1 ZINC000124017026 564469807 /nfs/dbraw/zinc/46/98/07/564469807.db2.gz CMCVRFOKPKAZEM-QGZVFWFLSA-N 0 1 380.257 3.276 20 0 GGADMN CCSc1nnc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000515170033 564471465 /nfs/dbraw/zinc/47/14/65/564471465.db2.gz LPUNMMBYFZFCDP-CQSZACIVSA-N 0 1 377.539 3.436 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000124174171 564473963 /nfs/dbraw/zinc/47/39/63/564473963.db2.gz SMSHHDFJWXJPPI-UHFFFAOYSA-N 0 1 388.898 3.129 20 0 GGADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H]1CCS(=O)(=O)C1 ZINC000044863056 564474388 /nfs/dbraw/zinc/47/43/88/564474388.db2.gz FCMKUCUAXPBADJ-LBPRGKRZSA-N 0 1 388.320 3.012 20 0 GGADMN CSc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1NC(C)=O ZINC000044874226 564475135 /nfs/dbraw/zinc/47/51/35/564475135.db2.gz ILVRZBUPYCYHNG-OAHLLOKOSA-N 0 1 377.535 3.461 20 0 GGADMN CSc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)ccc1NC(C)=O ZINC000045016975 564476288 /nfs/dbraw/zinc/47/62/88/564476288.db2.gz PWHWGNQVOZJYCP-MRXNPFEDSA-N 0 1 377.535 3.461 20 0 GGADMN CC(C)c1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)n[nH]1 ZINC000044982029 564476424 /nfs/dbraw/zinc/47/64/24/564476424.db2.gz PICVKQDZHKGVSM-UHFFFAOYSA-N 0 1 379.258 3.006 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)Nc1ccc(C2CC2)nn1 ZINC000515463767 564480183 /nfs/dbraw/zinc/48/01/83/564480183.db2.gz VCNJTQUIYKOCGW-UHFFFAOYSA-N 0 1 387.241 3.315 20 0 GGADMN O=C(Nc1ccc(CCO)cc1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000124412645 564481297 /nfs/dbraw/zinc/48/12/97/564481297.db2.gz PGNHNSKBQNHBSB-UHFFFAOYSA-N 0 1 387.233 3.078 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000124432258 564482376 /nfs/dbraw/zinc/48/23/76/564482376.db2.gz GVFGQCZJOSXQRA-UHFFFAOYSA-N 0 1 382.423 3.339 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 ZINC000124446720 564482458 /nfs/dbraw/zinc/48/24/58/564482458.db2.gz UUGURBULRIXOGT-UHFFFAOYSA-N 0 1 397.250 3.003 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000045454419 564484006 /nfs/dbraw/zinc/48/40/06/564484006.db2.gz YICYQBUVXIJLAH-ZIAGYGMSSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000045454420 564484221 /nfs/dbraw/zinc/48/42/21/564484221.db2.gz YICYQBUVXIJLAH-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000124533715 564485528 /nfs/dbraw/zinc/48/55/28/564485528.db2.gz DZHFEXPMYJPFEH-FQEVSTJZSA-N 0 1 388.308 3.296 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000045633867 564487137 /nfs/dbraw/zinc/48/71/37/564487137.db2.gz ZQHCALREZZYZGM-ZNMIVQPWSA-N 0 1 398.345 3.309 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1 ZINC000045633869 564487156 /nfs/dbraw/zinc/48/71/56/564487156.db2.gz ZQHCALREZZYZGM-KFWWJZLASA-N 0 1 398.345 3.309 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccncc1Br ZINC000124609124 564487273 /nfs/dbraw/zinc/48/72/73/564487273.db2.gz UWDQNOJVMUEZAY-CQSZACIVSA-N 0 1 380.311 3.473 20 0 GGADMN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000124593315 564487480 /nfs/dbraw/zinc/48/74/80/564487480.db2.gz QQJIJESZUQDPBA-HNNXBMFYSA-N 0 1 384.263 3.018 20 0 GGADMN C[C@@H]1CNCCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000124616363 564487901 /nfs/dbraw/zinc/48/79/01/564487901.db2.gz LZFYWGYRYLHTRP-LLVKDONJSA-N 0 1 379.291 3.102 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)c1 ZINC000124659895 564489358 /nfs/dbraw/zinc/48/93/58/564489358.db2.gz WZWYRMJZELPBKK-UHFFFAOYSA-N 0 1 395.278 3.443 20 0 GGADMN O=C(COc1cc(Cl)ccc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046046732 564493574 /nfs/dbraw/zinc/49/35/74/564493574.db2.gz KHOSRWXLQRZZPL-OAHLLOKOSA-N 0 1 387.307 3.086 20 0 GGADMN O=C(CN1CCC[C@H]1c1ccsc1)N1CCN(Cc2cccs2)CC1 ZINC000046088977 564494566 /nfs/dbraw/zinc/49/45/66/564494566.db2.gz GPJHWVJMTANMQX-SFHVURJKSA-N 0 1 375.563 3.291 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c1 ZINC000124813960 564494576 /nfs/dbraw/zinc/49/45/76/564494576.db2.gz UPRMRHUMQYHACL-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)c1cccc(F)c1 ZINC000124846271 564495591 /nfs/dbraw/zinc/49/55/91/564495591.db2.gz TVMFRKHVJIGTRJ-JTQLQIEISA-N 0 1 377.367 3.120 20 0 GGADMN C[C@@H]1CNCCN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000124926688 564498367 /nfs/dbraw/zinc/49/83/67/564498367.db2.gz AFQWEDQPSGJRRS-CQSZACIVSA-N 0 1 389.293 3.462 20 0 GGADMN COc1ccc(COC[C@@H](O)CN(C)Cc2ccc(Cl)s2)cc1OC ZINC000046438122 564502893 /nfs/dbraw/zinc/50/28/93/564502893.db2.gz YJDIJMGRZDWKOB-AWEZNQCLSA-N 0 1 385.913 3.428 20 0 GGADMN C[C@H](C(=O)NC1CC1)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000125118745 564503887 /nfs/dbraw/zinc/50/38/87/564503887.db2.gz CEYXEIWTFXBYKN-LLVKDONJSA-N 0 1 384.307 3.311 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000125136442 564504747 /nfs/dbraw/zinc/50/47/47/564504747.db2.gz DCOQFOQRSFTIEI-RKVPGOIHSA-N 0 1 395.341 3.092 20 0 GGADMN O=C(NC1CC1)[C@@H](NCCOc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000125250827 564508124 /nfs/dbraw/zinc/50/81/24/564508124.db2.gz BYPHLQMGIGNKSF-INIZCTEOSA-N 0 1 380.275 3.377 20 0 GGADMN COc1ccc(Br)cc1C(=O)CCC(=O)NCCN1CCCCC1 ZINC000046856367 564508749 /nfs/dbraw/zinc/50/87/49/564508749.db2.gz SWTBDKGTURLHPO-UHFFFAOYSA-N 0 1 397.313 3.023 20 0 GGADMN CN(C)C(=O)Nc1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000047211913 564515094 /nfs/dbraw/zinc/51/50/94/564515094.db2.gz CUBTWMWTUPUYPV-UHFFFAOYSA-N 0 1 398.282 3.343 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)cc1Cl ZINC000047211959 564515524 /nfs/dbraw/zinc/51/55/24/564515524.db2.gz NSYQTSWTPUMMBL-UHFFFAOYSA-N 0 1 383.857 3.243 20 0 GGADMN Cc1noc(C)c1CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261981 564516515 /nfs/dbraw/zinc/51/65/15/564516515.db2.gz TYAYWYDWGOKEKZ-CYBMUJFWSA-N 0 1 393.285 3.300 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1 ZINC000125502445 564516554 /nfs/dbraw/zinc/51/65/54/564516554.db2.gz LCKHRLKLPQSOPP-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN CC[C@H](CNC(=O)CSCc1cscn1)N1CCc2ccccc2C1 ZINC000125522219 564517555 /nfs/dbraw/zinc/51/75/55/564517555.db2.gz ZHEGSGPRQTWFQD-GOSISDBHSA-N 0 1 375.563 3.329 20 0 GGADMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000047317835 564518127 /nfs/dbraw/zinc/51/81/27/564518127.db2.gz LNHLIYLODHFKMN-UHFFFAOYSA-N 0 1 387.230 3.347 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc2cc(Br)ccc2[nH]1 ZINC000047343010 564518714 /nfs/dbraw/zinc/51/87/14/564518714.db2.gz ZGOWRKMUPADNFH-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000047343230 564518935 /nfs/dbraw/zinc/51/89/35/564518935.db2.gz GIWUNPYWMDNVSV-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000047367523 564519081 /nfs/dbraw/zinc/51/90/81/564519081.db2.gz VBBJZOHMDOTNDD-UHFFFAOYSA-N 0 1 378.759 3.259 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1cccc(I)c1 ZINC000047367589 564519184 /nfs/dbraw/zinc/51/91/84/564519184.db2.gz DPEQFDVJQVNSPJ-UHFFFAOYSA-N 0 1 389.214 3.101 20 0 GGADMN O=C(CCSc1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000047386849 564519876 /nfs/dbraw/zinc/51/98/76/564519876.db2.gz VGTTYKUAPOOHKA-UHFFFAOYSA-N 0 1 382.957 3.393 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc3cc(Br)ccc3[nH]2)C[C@@H](C)O1 ZINC000047434823 564520581 /nfs/dbraw/zinc/52/05/81/564520581.db2.gz AEFFGPFVIXFQKY-CHWSQXEVSA-N 0 1 394.313 3.160 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(Br)ccc2Cl)C[C@H](C)O1 ZINC000047433121 564520729 /nfs/dbraw/zinc/52/07/29/564520729.db2.gz TZJNYLGCVCGKHS-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000047434832 564520783 /nfs/dbraw/zinc/52/07/83/564520783.db2.gz HJSVXZJGANORPH-CHWSQXEVSA-N 0 1 394.313 3.160 20 0 GGADMN Cc1nc(-c2cccs2)sc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000047433739 564520851 /nfs/dbraw/zinc/52/08/51/564520851.db2.gz QCTVDUTZAHQCDB-CHWSQXEVSA-N 0 1 379.551 3.409 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(Br)ccc2Cl)C[C@@H](C)O1 ZINC000047433123 564521023 /nfs/dbraw/zinc/52/10/23/564521023.db2.gz TZJNYLGCVCGKHS-VXGBXAGGSA-N 0 1 389.721 3.332 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Cc2csc(-c3cccs3)n2)C[C@H](C)O1 ZINC000047433705 564521108 /nfs/dbraw/zinc/52/11/08/564521108.db2.gz CDBOPNCQYIDJSX-OKILXGFUSA-N 0 1 379.551 3.030 20 0 GGADMN COc1ccc(O)c(NS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000125648734 564521538 /nfs/dbraw/zinc/52/15/38/564521538.db2.gz QJLDJZRSPGZJAW-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2csc(Br)c2)cc1 ZINC000047771009 564525692 /nfs/dbraw/zinc/52/56/92/564525692.db2.gz UADKFWUZMKZSEM-UHFFFAOYSA-N 0 1 389.340 3.051 20 0 GGADMN C[C@H]1CNCCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000125752147 564526029 /nfs/dbraw/zinc/52/60/29/564526029.db2.gz LZFYWGYRYLHTRP-NSHDSACASA-N 0 1 379.291 3.102 20 0 GGADMN CCc1nc(NC(=O)COc2ccc3ccccc3c2Br)n[nH]1 ZINC000125799570 564526595 /nfs/dbraw/zinc/52/65/95/564526595.db2.gz WLVYRZRUTRPVIB-UHFFFAOYSA-N 0 1 375.226 3.300 20 0 GGADMN CCc1n[nH]c(NC(=O)COc2ccc3ccccc3c2Br)n1 ZINC000125799570 564526597 /nfs/dbraw/zinc/52/65/97/564526597.db2.gz WLVYRZRUTRPVIB-UHFFFAOYSA-N 0 1 375.226 3.300 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)ccc1Cl ZINC000047814905 564526693 /nfs/dbraw/zinc/52/66/93/564526693.db2.gz ICHDAWZJVZNQST-OAHLLOKOSA-N 0 1 380.901 3.186 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1Cl ZINC000047814904 564527314 /nfs/dbraw/zinc/52/73/14/564527314.db2.gz ICHDAWZJVZNQST-HNNXBMFYSA-N 0 1 380.901 3.186 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000047907758 564528237 /nfs/dbraw/zinc/52/82/37/564528237.db2.gz UEROHUIKUXKZEB-WMLDXEAASA-N 0 1 398.345 3.166 20 0 GGADMN CC(C)CCN1CCN(C(=O)c2ccccc2I)CC1 ZINC000048073890 564530621 /nfs/dbraw/zinc/53/06/21/564530621.db2.gz KRPWGWXTFRDGSF-UHFFFAOYSA-N 0 1 386.277 3.095 20 0 GGADMN CCN(CC)[C@H](CNC(=O)CSc1nncs1)c1ccccc1Cl ZINC000048184161 564533525 /nfs/dbraw/zinc/53/35/25/564533525.db2.gz HNTZYFPJTMYBQO-CQSZACIVSA-N 0 1 384.958 3.483 20 0 GGADMN O=S(=O)(NCCSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000048187351 564533818 /nfs/dbraw/zinc/53/38/18/564533818.db2.gz MGDFEWOOZIWJKZ-UHFFFAOYSA-N 0 1 394.909 3.196 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3cc(Cl)sc3Cl)ccn2)CC1 ZINC000048329328 564536240 /nfs/dbraw/zinc/53/62/40/564536240.db2.gz IUJMLFBPZHKLNW-UHFFFAOYSA-N 0 1 385.320 3.132 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cncc(Br)c2)N(C)C)c1 ZINC000126131597 564538005 /nfs/dbraw/zinc/53/80/05/564538005.db2.gz KEUVXLSDLBQWCW-MRXNPFEDSA-N 0 1 393.285 3.277 20 0 GGADMN NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2sccc2Br)c1 ZINC000048440962 564539314 /nfs/dbraw/zinc/53/93/14/564539314.db2.gz SXPUSEUUPLEZHM-UHFFFAOYSA-N 0 1 395.687 3.064 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1Br ZINC000126210718 564541052 /nfs/dbraw/zinc/54/10/52/564541052.db2.gz UIQNFDAFMRLYFC-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000126244166 564542051 /nfs/dbraw/zinc/54/20/51/564542051.db2.gz GGNDAWNSINSUAY-SJCJKPOMSA-N 0 1 391.313 3.251 20 0 GGADMN Cc1ccc([C@H](CNCc2cc(O)ccc2Br)N2CCOCC2)o1 ZINC000126309648 564545062 /nfs/dbraw/zinc/54/50/62/564545062.db2.gz UVIBMJLQGXQWQO-KRWDZBQOSA-N 0 1 395.297 3.219 20 0 GGADMN CNC(=O)COc1cccc(CNCc2ccc(Br)cc2F)c1 ZINC000048778691 564545371 /nfs/dbraw/zinc/54/53/71/564545371.db2.gz GPCHFSRBJVURKH-UHFFFAOYSA-N 0 1 381.245 3.003 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccccc1Cl ZINC000048853518 564546319 /nfs/dbraw/zinc/54/63/19/564546319.db2.gz LUBHTIJGWQKEOR-OAHLLOKOSA-N 0 1 377.897 3.293 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000048853080 564546951 /nfs/dbraw/zinc/54/69/51/564546951.db2.gz GZCQRTGHPKFGDX-OAHLLOKOSA-N 0 1 377.897 3.293 20 0 GGADMN CCCC[NH+]1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000049061146 564548204 /nfs/dbraw/zinc/54/82/04/564548204.db2.gz SBELUTYZSZGYEM-UHFFFAOYSA-N 0 1 381.361 3.053 20 0 GGADMN Cc1ccn(C)c(=O)c1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000126408649 564548751 /nfs/dbraw/zinc/54/87/51/564548751.db2.gz GFWDIFNAGGXLLD-UHFFFAOYSA-N 0 1 381.668 3.455 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1ccc(Br)s1 ZINC000049132984 564549606 /nfs/dbraw/zinc/54/96/06/564549606.db2.gz QMZHKFXFDOUCIP-UHFFFAOYSA-N 0 1 394.338 3.368 20 0 GGADMN NC(=O)[C@H](NC1CCN(c2cccs2)CC1)c1ccc(Br)cc1 ZINC000126569643 564554151 /nfs/dbraw/zinc/55/41/51/564554151.db2.gz SKYAFZNDKSXCSH-MRXNPFEDSA-N 0 1 394.338 3.296 20 0 GGADMN NC(=O)[C@@H](NC1CCN(c2cccs2)CC1)c1ccc(Br)cc1 ZINC000126569435 564554634 /nfs/dbraw/zinc/55/46/34/564554634.db2.gz SKYAFZNDKSXCSH-INIZCTEOSA-N 0 1 394.338 3.296 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cncc(Br)c1)c1cccc(F)c1 ZINC000126706009 564558723 /nfs/dbraw/zinc/55/87/23/564558723.db2.gz MGNXPGYYFKAMDR-OAHLLOKOSA-N 0 1 381.249 3.408 20 0 GGADMN Cc1[nH]nc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1Br ZINC000050660882 564560147 /nfs/dbraw/zinc/56/01/47/564560147.db2.gz YZMGQXYKCTUVGK-CQSZACIVSA-N 0 1 396.260 3.441 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(Cc2ccc(OC)c(OC)c2Br)C1 ZINC000050993951 564561077 /nfs/dbraw/zinc/56/10/77/564561077.db2.gz HHLJEDAWPDZBER-AWEZNQCLSA-N 0 1 399.329 3.205 20 0 GGADMN Cc1nc2ccc(NC(=O)CNC(=O)c3ccc(Br)s3)cc2[nH]1 ZINC000051226837 564563120 /nfs/dbraw/zinc/56/31/20/564563120.db2.gz KOZLLKQWWCARME-UHFFFAOYSA-N 0 1 393.266 3.064 20 0 GGADMN Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000051282432 564563227 /nfs/dbraw/zinc/56/32/27/564563227.db2.gz MIRNTULPMLULOY-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN O=C(NCCc1nccs1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000051757670 564566948 /nfs/dbraw/zinc/56/69/48/564566948.db2.gz PISGRCQLEGIFAC-MRXNPFEDSA-N 0 1 378.929 3.475 20 0 GGADMN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000052025327 564568368 /nfs/dbraw/zinc/56/83/68/564568368.db2.gz WRRYNDFMZGMRGS-UHFFFAOYSA-N 0 1 389.445 3.089 20 0 GGADMN COc1ccc(Br)cc1CNCCNC(=O)c1ccc(C)cc1 ZINC000052041811 564569599 /nfs/dbraw/zinc/56/95/99/564569599.db2.gz FKTQVWZASDNUML-UHFFFAOYSA-N 0 1 377.282 3.286 20 0 GGADMN Brc1cccc(C2(CNc3ncnc4[nH]cnc43)CCOCC2)c1 ZINC000052487312 564573131 /nfs/dbraw/zinc/57/31/31/564573131.db2.gz AUBWNVJMNLJHAO-UHFFFAOYSA-N 0 1 388.269 3.276 20 0 GGADMN Cc1cc(Br)cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000127153322 564574972 /nfs/dbraw/zinc/57/49/72/564574972.db2.gz HEKUEBHAFVQEOE-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CC(=O)NCC1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000052848752 564577519 /nfs/dbraw/zinc/57/75/19/564577519.db2.gz KBJQLJMAGSTJMI-LBPRGKRZSA-N 0 1 386.323 3.019 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000127229266 564578163 /nfs/dbraw/zinc/57/81/63/564578163.db2.gz LTYMPNLTHFRVRS-CVEARBPZSA-N 0 1 379.287 3.359 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@H](O)COc3cc(Cl)ccc3Cl)C2)n1 ZINC000052863747 564578303 /nfs/dbraw/zinc/57/83/03/564578303.db2.gz GWKTUDRVGJIEAF-OCCSQVGLSA-N 0 1 386.279 3.304 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@H](O)COc3ccc(Cl)cc3Cl)C2)n1 ZINC000052863744 564578390 /nfs/dbraw/zinc/57/83/90/564578390.db2.gz JAASMMCFBKTXRG-JSGCOSHPSA-N 0 1 386.279 3.304 20 0 GGADMN OC[C@H](Cc1c[nH]c2ccccc12)NCc1cc(O)ccc1Br ZINC000127358282 564581031 /nfs/dbraw/zinc/58/10/31/564581031.db2.gz XHHPLPNUQIVVMR-AWEZNQCLSA-N 0 1 375.266 3.329 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1c(Cl)ccc2cccnc21 ZINC000053220108 564582822 /nfs/dbraw/zinc/58/28/22/564582822.db2.gz PORXGNBLWMKEEI-HNNXBMFYSA-N 0 1 381.929 3.182 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(Cl)c2cccnc12 ZINC000053220104 564583260 /nfs/dbraw/zinc/58/32/60/564583260.db2.gz ZFJOIWCRGVKOSJ-HNNXBMFYSA-N 0 1 381.929 3.182 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)CCC(C)C ZINC000053364134 564585819 /nfs/dbraw/zinc/58/58/19/564585819.db2.gz KNHYULXVUYDEEO-UHFFFAOYSA-N 0 1 398.345 3.132 20 0 GGADMN O=C1COc2ccccc2N1CCCNCc1cc(O)ccc1Br ZINC000127538414 564587365 /nfs/dbraw/zinc/58/73/65/564587365.db2.gz YZZORVGQXSULGW-UHFFFAOYSA-N 0 1 391.265 3.060 20 0 GGADMN CC(C)[C@@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)N1CCOCC1 ZINC000127579357 564588509 /nfs/dbraw/zinc/58/85/09/564588509.db2.gz XICHQXKNEDLREF-BLLLJJGKSA-N 0 1 387.293 3.122 20 0 GGADMN Nc1cc(N)nc(SCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000053450945 564588791 /nfs/dbraw/zinc/58/87/91/564588791.db2.gz KMYDNTKEBCTZCT-GFCCVEGCSA-N 0 1 398.319 3.404 20 0 GGADMN CN(CC1CC1)C(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000053454360 564589807 /nfs/dbraw/zinc/58/98/07/564589807.db2.gz OKIZMENVWQKCND-UHFFFAOYSA-N 0 1 381.299 3.195 20 0 GGADMN COCCN1CCC(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000127634398 564590542 /nfs/dbraw/zinc/59/05/42/564590542.db2.gz FVGWCLDUHZNPMJ-UHFFFAOYSA-N 0 1 393.336 3.245 20 0 GGADMN O=C(c1ccc(Br)cc1O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127651550 564590837 /nfs/dbraw/zinc/59/08/37/564590837.db2.gz HFGBXHDCUKCSAH-MLGOLLRUSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127651550 564590838 /nfs/dbraw/zinc/59/08/38/564590838.db2.gz HFGBXHDCUKCSAH-MLGOLLRUSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127651550 564590840 /nfs/dbraw/zinc/59/08/40/564590840.db2.gz HFGBXHDCUKCSAH-MLGOLLRUSA-N 0 1 379.298 3.244 20 0 GGADMN COCc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)o1 ZINC000127660150 564591514 /nfs/dbraw/zinc/59/15/14/564591514.db2.gz ZBBNMBWWJYEUBX-UHFFFAOYSA-N 0 1 395.297 3.327 20 0 GGADMN COc1ccc(Cl)cc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000053607670 564591553 /nfs/dbraw/zinc/59/15/53/564591553.db2.gz IVOFYFYTMBWVLB-UHFFFAOYSA-N 0 1 380.838 3.435 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000053672004 564592935 /nfs/dbraw/zinc/59/29/35/564592935.db2.gz ZIEJNPFEGWEKPX-UHFFFAOYSA-N 0 1 389.359 3.190 20 0 GGADMN CC1(C)NC(=O)N(CCCN2CCC[C@H]2c2ccc(Br)cc2)C1=O ZINC000053715048 564594114 /nfs/dbraw/zinc/59/41/14/564594114.db2.gz DSYXEFJQSAFYGG-HNNXBMFYSA-N 0 1 394.313 3.307 20 0 GGADMN CC1CCN([C@H](CNC(=O)c2cc(C(N)=O)cs2)c2cccs2)CC1 ZINC000053758138 564594865 /nfs/dbraw/zinc/59/48/65/564594865.db2.gz KWFUYIZULPYHKD-CQSZACIVSA-N 0 1 377.535 3.112 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(F)cc(Br)c1 ZINC000053991317 564597056 /nfs/dbraw/zinc/59/70/56/564597056.db2.gz WVAPAUQCTPYGBT-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(Br)c1 ZINC000053980860 564597080 /nfs/dbraw/zinc/59/70/80/564597080.db2.gz ONFUSGTXYWIZNG-CQSZACIVSA-N 0 1 384.318 3.236 20 0 GGADMN O=S(=O)(NCCNCc1ccccc1OC(F)F)c1ccc(Cl)s1 ZINC000127821627 564597722 /nfs/dbraw/zinc/59/77/22/564597722.db2.gz NDRQGDMXQVNXOZ-UHFFFAOYSA-N 0 1 396.868 3.071 20 0 GGADMN Cc1nncn1-c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000127849273 564598782 /nfs/dbraw/zinc/59/87/82/564598782.db2.gz WLDQJOBJDZRXDW-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN COc1ccc(Br)c(CNCCC(=O)Nc2ccc(C)cn2)c1 ZINC000127993563 564603740 /nfs/dbraw/zinc/60/37/40/564603740.db2.gz XALAIFKJUJZMHC-UHFFFAOYSA-N 0 1 378.270 3.280 20 0 GGADMN COC(=O)C[C@H]1CCCCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000054394796 564604304 /nfs/dbraw/zinc/60/43/04/564604304.db2.gz OEPRTJKLAUZDIT-CZUORRHYSA-N 0 1 397.313 3.044 20 0 GGADMN 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HVXUBJCAGOHWDQ-UHFFFAOYSA-N 0 1 380.275 3.180 20 0 GGADMN CCCCN(CCC(=O)Nc1ccccc1SC)[C@@H]1CCS(=O)(=O)C1 ZINC000067399976 564791133 /nfs/dbraw/zinc/79/11/33/564791133.db2.gz RVWHFWYLHJNFRZ-OAHLLOKOSA-N 0 1 384.567 3.026 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2c[nH]c3ccc(Br)cc23)C1 ZINC000067508610 564794647 /nfs/dbraw/zinc/79/46/47/564794647.db2.gz FEVHIQGAXHVYQV-AWEZNQCLSA-N 0 1 394.313 3.017 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000134184852 564795507 /nfs/dbraw/zinc/79/55/07/564795507.db2.gz AKWYJZHKEXYWOP-BXUZGUMPSA-N 0 1 380.901 3.005 20 0 GGADMN O=C(CN[C@H]1CCc2c1cc(Cl)cc2Br)NCC(F)(F)F ZINC000134348664 564801115 /nfs/dbraw/zinc/80/11/15/564801115.db2.gz UAHXIPKGXJPBMB-NSHDSACASA-N 0 1 385.611 3.358 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Br)ccc1Cl ZINC000067946921 564804197 /nfs/dbraw/zinc/80/41/97/564804197.db2.gz IFTQEZRUTBMVFS-UHFFFAOYSA-N 0 1 393.734 3.008 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000068038698 564806624 /nfs/dbraw/zinc/80/66/24/564806624.db2.gz XBVZGNOZBDYBCW-UHFFFAOYSA-N 0 1 379.913 3.201 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000134552158 564807180 /nfs/dbraw/zinc/80/71/80/564807180.db2.gz KSVCNZQUIDKHFV-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CS[C@H]1CCCCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000134591242 564808365 /nfs/dbraw/zinc/80/83/65/564808365.db2.gz CNFYQHOQIYJQOJ-KRWDZBQOSA-N 0 1 384.567 3.026 20 0 GGADMN CCCOc1c(Br)cc(C(=O)NCc2cn[nH]c2C)cc1OC ZINC000068271534 564812743 /nfs/dbraw/zinc/81/27/43/564812743.db2.gz YFYRJUJYNQKFFX-UHFFFAOYSA-N 0 1 382.258 3.208 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1cnc([C@H]2CCCO2)s1 ZINC000134693325 564812880 /nfs/dbraw/zinc/81/28/80/564812880.db2.gz JFYKEZQMODCDGO-CQSZACIVSA-N 0 1 381.567 3.086 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CSCC(F)(F)F)N1CCCC1 ZINC000134737714 564813490 /nfs/dbraw/zinc/81/34/90/564813490.db2.gz WIGPLPNIJLTONH-AWEZNQCLSA-N 0 1 376.444 3.244 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CSCC(F)(F)F)N1CCCC1 ZINC000134737694 564813692 /nfs/dbraw/zinc/81/36/92/564813692.db2.gz WIGPLPNIJLTONH-CQSZACIVSA-N 0 1 376.444 3.244 20 0 GGADMN Cc1cc(NC(=O)N[C@H](C)c2nnc[nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000493985206 564815267 /nfs/dbraw/zinc/81/52/67/564815267.db2.gz XSYKMSBHBIOZDU-SECBINFHSA-N 0 1 380.239 3.488 20 0 GGADMN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc(Br)cc1O ZINC000068411442 564818150 /nfs/dbraw/zinc/81/81/50/564818150.db2.gz ACZAPUOBCACSSA-UHFFFAOYSA-N 0 1 379.235 3.451 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1[nH]nc(C2CC2)c1Br ZINC000068436894 564818694 /nfs/dbraw/zinc/81/86/94/564818694.db2.gz JMOLDBMVYWZABF-CQSZACIVSA-N 0 1 389.297 3.054 20 0 GGADMN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1cnn[nH]1 ZINC000135093454 564824371 /nfs/dbraw/zinc/82/43/71/564824371.db2.gz FAVQLIZKPMLJIP-MRVPVSSYSA-N 0 1 392.282 3.490 20 0 GGADMN COc1ccc([C@H](NCCn2cncn2)c2ccccc2)cc1Br ZINC000068826019 564827258 /nfs/dbraw/zinc/82/72/58/564827258.db2.gz SYMLNLGDRKRDLO-GOSISDBHSA-N 0 1 387.281 3.428 20 0 GGADMN OCC1(CNCc2ncc(Br)cc2Br)CCCC1 ZINC000135308230 564828074 /nfs/dbraw/zinc/82/80/74/564828074.db2.gz ONLDHRYJPJZGLS-UHFFFAOYSA-N 0 1 378.108 3.249 20 0 GGADMN Brc1cnc(CNCCc2cscn2)c(Br)c1 ZINC000135302289 564828145 /nfs/dbraw/zinc/82/81/45/564828145.db2.gz CKHMWQRQJFQICT-UHFFFAOYSA-N 0 1 377.105 3.395 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(NCc3csc(C)n3)CC2)cc1 ZINC000069160729 564834126 /nfs/dbraw/zinc/83/41/26/564834126.db2.gz UWPOMJRKANKRAT-UHFFFAOYSA-N 0 1 379.551 3.004 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(O)c1 ZINC000135575733 564835632 /nfs/dbraw/zinc/83/56/32/564835632.db2.gz AAGADWVDXHQYSJ-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000069231030 564836381 /nfs/dbraw/zinc/83/63/81/564836381.db2.gz NFWZCJFVXSTFHV-OAHLLOKOSA-N 0 1 377.282 3.057 20 0 GGADMN O[C@@H]1CCCCC[C@H]1NCc1ncc(Br)cc1Br ZINC000135675008 564838326 /nfs/dbraw/zinc/83/83/26/564838326.db2.gz BTVPVIGAUXFUKJ-DGCLKSJQSA-N 0 1 378.108 3.390 20 0 GGADMN O=C(CSCc1cccc(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069745464 564843373 /nfs/dbraw/zinc/84/33/73/564843373.db2.gz ZDPUMWYARJUDTI-QGZVFWFLSA-N 0 1 382.957 3.144 20 0 GGADMN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069710449 564843581 /nfs/dbraw/zinc/84/35/81/564843581.db2.gz IJXYKJCKEPVNJZ-CVEARBPZSA-N 0 1 382.957 3.391 20 0 GGADMN O=C(CCc1ccc(Cl)cc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069746631 564843887 /nfs/dbraw/zinc/84/38/87/564843887.db2.gz XRQIMRXTVYDYMA-HNNXBMFYSA-N 0 1 385.335 3.497 20 0 GGADMN CC(C)(NCc1cnc2ccc(Br)cn12)C(=O)NCC1CCCC1 ZINC000136034656 564844016 /nfs/dbraw/zinc/84/40/16/564844016.db2.gz FIXHJTAGGJUFRL-UHFFFAOYSA-N 0 1 393.329 3.271 20 0 GGADMN CN(CC(=O)NCC(C)(C)c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000136176215 564846239 /nfs/dbraw/zinc/84/62/39/564846239.db2.gz AKGVWGGKNIGQPK-OAHLLOKOSA-N 0 1 385.371 3.280 20 0 GGADMN C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000070869474 564851891 /nfs/dbraw/zinc/85/18/91/564851891.db2.gz QSJKIHXHTATWRE-AAEUAGOBSA-N 0 1 381.263 3.127 20 0 GGADMN O=C(NCc1nnc[nH]1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000070823545 564852022 /nfs/dbraw/zinc/85/20/22/564852022.db2.gz OGSIRYHHVCYORL-UHFFFAOYSA-N 0 1 391.200 3.429 20 0 GGADMN O=C(NCc1nnc[nH]1)c1ccc(COc2ccccc2Br)cc1 ZINC000070823906 564852308 /nfs/dbraw/zinc/85/23/08/564852308.db2.gz KNHRVOLIXGEALG-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071028200 564854923 /nfs/dbraw/zinc/85/49/23/564854923.db2.gz WREJNLZCFRBQEZ-LBPRGKRZSA-N 0 1 387.237 3.436 20 0 GGADMN O=C(CCOc1ccccc1Br)Nc1ccn(-c2ccncc2)n1 ZINC000071028346 564854980 /nfs/dbraw/zinc/85/49/80/564854980.db2.gz WREWNYYHEHOTHL-UHFFFAOYSA-N 0 1 387.237 3.437 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1Cl ZINC000071081921 564855023 /nfs/dbraw/zinc/85/50/23/564855023.db2.gz AKWWPIXFLYTCSF-UHFFFAOYSA-N 0 1 387.244 3.297 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071038400 564855424 /nfs/dbraw/zinc/85/54/24/564855424.db2.gz WWUNGFHSSRNWIP-LBPRGKRZSA-N 0 1 387.237 3.436 20 0 GGADMN Cn1nccc1[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000071808718 564857415 /nfs/dbraw/zinc/85/74/15/564857415.db2.gz AQGZAEAUNMJANX-CYBMUJFWSA-N 0 1 392.297 3.333 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCc3cc(Br)ccc32)n[nH]1 ZINC000137394648 564862264 /nfs/dbraw/zinc/86/22/64/564862264.db2.gz FQIXRSOTFPEKSI-QLJPJBMISA-N 0 1 377.286 3.398 20 0 GGADMN CC1CCN(CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000137468648 564862325 /nfs/dbraw/zinc/86/23/25/564862325.db2.gz HKWCUXPXHBXRHY-MRXNPFEDSA-N 0 1 394.357 3.124 20 0 GGADMN COc1ccc(N(C)C(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1Cl ZINC000137792869 564863970 /nfs/dbraw/zinc/86/39/70/564863970.db2.gz DZECQNIYLUWCEE-UHFFFAOYSA-N 0 1 386.832 3.136 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000138970190 564867867 /nfs/dbraw/zinc/86/78/67/564867867.db2.gz HGYOEPZJECCGIK-AWEZNQCLSA-N 0 1 384.318 3.074 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCC(F)(F)F)n1 ZINC000079441533 564868351 /nfs/dbraw/zinc/86/83/51/564868351.db2.gz HDXFGRLXEATMMS-ZETCQYMHSA-N 0 1 394.806 3.293 20 0 GGADMN CC(C)(CNC(=O)CCCCc1cn[nH]n1)c1ccccc1Br ZINC000139596053 564869295 /nfs/dbraw/zinc/86/92/95/564869295.db2.gz UKPMUGHLXUKIJY-UHFFFAOYSA-N 0 1 379.302 3.374 20 0 GGADMN C[C@H](c1ccccc1Br)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000139737782 564870321 /nfs/dbraw/zinc/87/03/21/564870321.db2.gz GLLOFBYLDAVUMA-CQSZACIVSA-N 0 1 381.314 3.081 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H](O)C(F)(F)F ZINC000140023064 564870888 /nfs/dbraw/zinc/87/08/88/564870888.db2.gz GDWBPNMYWLEMDV-CQSZACIVSA-N 0 1 392.219 3.264 20 0 GGADMN Cc1cc(Br)ccc1CN1CCC(c2ccnn2CCO)CC1 ZINC000092811385 564880924 /nfs/dbraw/zinc/88/09/24/564880924.db2.gz UWPFARKOCGHTOD-UHFFFAOYSA-N 0 1 378.314 3.326 20 0 GGADMN O=S(=O)(CCc1ccccc1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000146473257 564881951 /nfs/dbraw/zinc/88/19/51/564881951.db2.gz BWKGESMRFBBEKZ-GOSISDBHSA-N 0 1 378.563 3.122 20 0 GGADMN O=C1N=NC(CSc2nnc(Nc3cccc(Br)c3)s2)N1 ZINC000092870180 564882798 /nfs/dbraw/zinc/88/27/98/564882798.db2.gz IDOOFGCBJDTAAS-UHFFFAOYSA-N 0 1 385.272 3.160 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134083 564883734 /nfs/dbraw/zinc/88/37/34/564883734.db2.gz VINLUBREKRSHGV-ZDUSSCGKSA-N 0 1 391.313 3.375 20 0 GGADMN Cc1cc(Br)ccc1CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000093386728 564886436 /nfs/dbraw/zinc/88/64/36/564886436.db2.gz DVNTXEUGPRSMHW-CYBMUJFWSA-N 0 1 379.220 3.353 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093545755 564888053 /nfs/dbraw/zinc/88/80/53/564888053.db2.gz VEITXIQVUKZZGO-HNNXBMFYSA-N 0 1 381.314 3.066 20 0 GGADMN C[N@@H+](Cc1c[nH]nc1-c1cccnc1)[C@@H](CO)c1cccc(Br)c1 ZINC000093815621 564890734 /nfs/dbraw/zinc/89/07/34/564890734.db2.gz GZZPOLRYUDUAMK-KRWDZBQOSA-N 0 1 387.281 3.400 20 0 GGADMN CN(Cc1c[nH]nc1-c1cccnc1)[C@@H](CO)c1cccc(Br)c1 ZINC000093815621 564890737 /nfs/dbraw/zinc/89/07/37/564890737.db2.gz GZZPOLRYUDUAMK-KRWDZBQOSA-N 0 1 387.281 3.400 20 0 GGADMN CN(C)C(=O)C(C)(C)NCc1ccc(Br)c(Br)c1 ZINC000150791622 564890910 /nfs/dbraw/zinc/89/09/10/564890910.db2.gz UBIDBVPPJWPTLI-UHFFFAOYSA-N 0 1 378.108 3.168 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000093908333 564893158 /nfs/dbraw/zinc/89/31/58/564893158.db2.gz WXHLLDBURGLNSP-UHFFFAOYSA-N 0 1 375.233 3.366 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(Br)c2)cn1 ZINC000093908270 564893223 /nfs/dbraw/zinc/89/32/23/564893223.db2.gz DEOYXHJVAPJFJE-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(F)cc1Br ZINC000150841738 564893350 /nfs/dbraw/zinc/89/33/50/564893350.db2.gz DHRXOQLHUHSVFX-UHFFFAOYSA-N 0 1 394.244 3.001 20 0 GGADMN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)cc1O ZINC000093912968 564893558 /nfs/dbraw/zinc/89/35/58/564893558.db2.gz YWAGXVBEIRFQJQ-UHFFFAOYSA-N 0 1 375.222 3.299 20 0 GGADMN O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)cc1O ZINC000094020081 564895741 /nfs/dbraw/zinc/89/57/41/564895741.db2.gz NIBADKOYWDLSFX-UHFFFAOYSA-N 0 1 377.173 3.127 20 0 GGADMN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(Br)cc1O ZINC000094154133 564898083 /nfs/dbraw/zinc/89/80/83/564898083.db2.gz IRSGSZKLZBBURN-UHFFFAOYSA-N 0 1 398.278 3.260 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(Cc3cc4c(cc3Br)OCCO4)C2)n1 ZINC000095966312 564899732 /nfs/dbraw/zinc/89/97/32/564899732.db2.gz SFFIPNOFONFXCC-LBPRGKRZSA-N 0 1 393.285 3.026 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc(Cl)c3[O-])CC[C@@H]21 ZINC000150968233 564900203 /nfs/dbraw/zinc/90/02/03/564900203.db2.gz LMHHRWDWFYPANM-YGRLFVJLSA-N 0 1 387.705 3.364 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(Cc3cc4c(cc3Br)OCCO4)C2)n1 ZINC000095966311 564900292 /nfs/dbraw/zinc/90/02/92/564900292.db2.gz SFFIPNOFONFXCC-GFCCVEGCSA-N 0 1 393.285 3.026 20 0 GGADMN COCCC1(CN[C@H](C(N)=O)c2ccc(Br)cc2F)CCCC1 ZINC000151015763 564902081 /nfs/dbraw/zinc/90/20/81/564902081.db2.gz BZVAEEMWQKORAJ-HNNXBMFYSA-N 0 1 387.293 3.301 20 0 GGADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)COC(C)C ZINC000096996215 564904574 /nfs/dbraw/zinc/90/45/74/564904574.db2.gz FWJGJHHMBPSSIK-AWEZNQCLSA-N 0 1 377.312 3.430 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1sccc1Br ZINC000097093940 564904947 /nfs/dbraw/zinc/90/49/47/564904947.db2.gz ZUGGXUTYRQFZBM-UHFFFAOYSA-N 0 1 395.388 3.252 20 0 GGADMN CC[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151127814 564906456 /nfs/dbraw/zinc/90/64/56/564906456.db2.gz DFUVVWGGSDUKDT-NSHDSACASA-N 0 1 384.851 3.369 20 0 GGADMN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151127814 564906462 /nfs/dbraw/zinc/90/64/62/564906462.db2.gz DFUVVWGGSDUKDT-NSHDSACASA-N 0 1 384.851 3.369 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC000097309045 564906991 /nfs/dbraw/zinc/90/69/91/564906991.db2.gz VNPSUIIZVZWJAJ-HNNXBMFYSA-N 0 1 384.318 3.236 20 0 GGADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171761 564907869 /nfs/dbraw/zinc/90/78/69/564907869.db2.gz WWFMNARWXIGEIC-NSHDSACASA-N 0 1 382.835 3.121 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+](CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171761 564907873 /nfs/dbraw/zinc/90/78/73/564907873.db2.gz WWFMNARWXIGEIC-NSHDSACASA-N 0 1 382.835 3.121 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+](CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171761 564907878 /nfs/dbraw/zinc/90/78/78/564907878.db2.gz WWFMNARWXIGEIC-NSHDSACASA-N 0 1 382.835 3.121 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000097684088 564910221 /nfs/dbraw/zinc/91/02/21/564910221.db2.gz ZBKZYAINNMGGMM-LLVKDONJSA-N 0 1 394.718 3.373 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000097684088 564910222 /nfs/dbraw/zinc/91/02/22/564910222.db2.gz ZBKZYAINNMGGMM-LLVKDONJSA-N 0 1 394.718 3.373 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498857256 564910581 /nfs/dbraw/zinc/91/05/81/564910581.db2.gz SAENMWFUDSTSPT-UHFFFAOYSA-N 0 1 389.257 3.104 20 0 GGADMN C[C@H](CO[C@@H]1CCOC1)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000151216776 564911074 /nfs/dbraw/zinc/91/10/74/564911074.db2.gz CKCSQGAGOIVFLR-IUODEOHRSA-N 0 1 380.286 3.123 20 0 GGADMN CCCN1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498873242 564911362 /nfs/dbraw/zinc/91/13/62/564911362.db2.gz KTPUIBLORRWDRN-HNNXBMFYSA-N 0 1 377.286 3.448 20 0 GGADMN CCCN1CCC[C@@H]1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498873243 564911654 /nfs/dbraw/zinc/91/16/54/564911654.db2.gz KTPUIBLORRWDRN-OAHLLOKOSA-N 0 1 377.286 3.448 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Br)s2)c1 ZINC000098076493 564912240 /nfs/dbraw/zinc/91/22/40/564912240.db2.gz GRTMGXRFEWHGSD-UHFFFAOYSA-N 0 1 390.280 3.262 20 0 GGADMN Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000098133322 564913383 /nfs/dbraw/zinc/91/33/83/564913383.db2.gz MNISUSLGPGOHTB-LBPRGKRZSA-N 0 1 395.326 3.460 20 0 GGADMN COc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1Br ZINC000101533278 564916588 /nfs/dbraw/zinc/91/65/88/564916588.db2.gz JNEQZVDMXZUOGU-UHFFFAOYSA-N 0 1 387.233 3.229 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000101545360 564917740 /nfs/dbraw/zinc/91/77/40/564917740.db2.gz UPFPIPJSTGGESF-UHFFFAOYSA-N 0 1 391.313 3.407 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2cccs2)C1)c1cccc(F)c1F ZINC000101575794 564918312 /nfs/dbraw/zinc/91/83/12/564918312.db2.gz UNGBYAFSNRNZHP-CYBMUJFWSA-N 0 1 386.489 3.217 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000151435428 564919599 /nfs/dbraw/zinc/91/95/99/564919599.db2.gz ADHXVQQKRQINCG-LLVKDONJSA-N 0 1 392.302 3.292 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000101763972 564921162 /nfs/dbraw/zinc/92/11/62/564921162.db2.gz KFIODTBPTONMSK-JKSUJKDBSA-N 0 1 377.286 3.269 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(Br)c(Cl)c1 ZINC000151493683 564922077 /nfs/dbraw/zinc/92/20/77/564922077.db2.gz OKQDNVVWDMNHOK-UHFFFAOYSA-N 0 1 393.734 3.008 20 0 GGADMN COc1ccc(NC(=O)CCN(C)Cc2cc(Br)cn2C)cc1 ZINC000151481501 564922535 /nfs/dbraw/zinc/92/25/35/564922535.db2.gz QJZZGRHOCBIVJD-UHFFFAOYSA-N 0 1 380.286 3.257 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccncc2Br)N2CCCC2)o1 ZINC000151498350 564923450 /nfs/dbraw/zinc/92/34/50/564923450.db2.gz GXBJJRBIPDWBFP-OAHLLOKOSA-N 0 1 378.270 3.312 20 0 GGADMN CCCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916640 564923864 /nfs/dbraw/zinc/92/38/64/564923864.db2.gz ITCJYFHXBRWKAP-ZDUSSCGKSA-N 0 1 396.329 3.014 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CN(C)Cc2cc(Br)cn2C)cc1 ZINC000151518445 564924323 /nfs/dbraw/zinc/92/43/23/564924323.db2.gz XFMRGIVUKJOWMA-INIZCTEOSA-N 0 1 397.313 3.058 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1ccc(O)c(Br)c1)c1ccccc1 ZINC000151522399 564924569 /nfs/dbraw/zinc/92/45/69/564924569.db2.gz WMUMHZOAQQMFBK-QGZVFWFLSA-N 0 1 377.282 3.464 20 0 GGADMN O=C(NCc1ccc(O)c(Br)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000151537460 564925317 /nfs/dbraw/zinc/92/53/17/564925317.db2.gz ZVVSDYBRSJIJAT-KRWDZBQOSA-N 0 1 389.293 3.436 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000102187573 564926692 /nfs/dbraw/zinc/92/66/92/564926692.db2.gz BMQGDNCTCLXXSE-JTQLQIEISA-N 0 1 376.869 3.055 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000151685523 564932942 /nfs/dbraw/zinc/93/29/42/564932942.db2.gz GQQDPFKISHPEJE-UHFFFAOYSA-N 0 1 390.709 3.023 20 0 GGADMN CCOCc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000102747753 564934432 /nfs/dbraw/zinc/93/44/32/564934432.db2.gz QLTJBXLOWOSXQZ-UHFFFAOYSA-N 0 1 380.853 3.172 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000102752019 564935056 /nfs/dbraw/zinc/93/50/56/564935056.db2.gz RQXFGTJALDTKQJ-UHFFFAOYSA-N 0 1 375.837 3.137 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc2c1OCO2 ZINC000102752819 564935317 /nfs/dbraw/zinc/93/53/17/564935317.db2.gz KIBVERXVNULPNF-UHFFFAOYSA-N 0 1 387.193 3.215 20 0 GGADMN O=C(CCOCC(F)(F)F)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000102752863 564935343 /nfs/dbraw/zinc/93/53/43/564935343.db2.gz VKTOOMNLWURCPV-UHFFFAOYSA-N 0 1 393.163 3.142 20 0 GGADMN NC(=O)[C@@H](NCC1(c2cccc(F)c2)CC1)c1ccc(Br)cc1 ZINC000151845748 564939357 /nfs/dbraw/zinc/93/93/57/564939357.db2.gz CIOWDZQDFRGYIG-INIZCTEOSA-N 0 1 377.257 3.436 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CC1)NCc1ccc(F)cc1 ZINC000102924270 564939689 /nfs/dbraw/zinc/93/96/89/564939689.db2.gz SVKPKHKCELWFOP-UHFFFAOYSA-N 0 1 377.257 3.483 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1F ZINC000103059065 564941882 /nfs/dbraw/zinc/94/18/82/564941882.db2.gz IIMIXMYFWYEZGW-UHFFFAOYSA-N 0 1 377.796 3.444 20 0 GGADMN CC(C)n1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cn1 ZINC000103059526 564941946 /nfs/dbraw/zinc/94/19/46/564941946.db2.gz IUMYOGZVYHGIRG-UHFFFAOYSA-N 0 1 380.214 3.306 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1C ZINC000103061690 564941983 /nfs/dbraw/zinc/94/19/83/564941983.db2.gz XIJCTZNDMUGREP-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103059147 564942091 /nfs/dbraw/zinc/94/20/91/564942091.db2.gz XVECUCGOIBXKNK-SNVBAGLBSA-N 0 1 386.832 3.253 20 0 GGADMN OCCN(CCCOCC(F)(F)F)Cc1cc(Br)ccc1F ZINC000103228685 564944606 /nfs/dbraw/zinc/94/46/06/564944606.db2.gz QQQMJINUAPZPRQ-UHFFFAOYSA-N 0 1 388.199 3.352 20 0 GGADMN O[C@@H](CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)c1cccc(Br)c1 ZINC000152104255 564946553 /nfs/dbraw/zinc/94/65/53/564946553.db2.gz GWSAQKOWNZXYIJ-HOCLYGCPSA-N 0 1 391.313 3.358 20 0 GGADMN Cc1ccc(I)cc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000152084187 564946787 /nfs/dbraw/zinc/94/67/87/564946787.db2.gz FMJHHWDSFCVJSJ-UHFFFAOYSA-N 0 1 394.172 3.230 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000152083783 564947034 /nfs/dbraw/zinc/94/70/34/564947034.db2.gz JWJISFUFLHOCDB-SJCJKPOMSA-N 0 1 380.897 3.158 20 0 GGADMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000152122852 564947617 /nfs/dbraw/zinc/94/76/17/564947617.db2.gz ACPMQRHWSXIYCI-UHFFFAOYSA-N 0 1 387.230 3.347 20 0 GGADMN Cc1nc(NC(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)n[nH]1 ZINC000103435612 564947812 /nfs/dbraw/zinc/94/78/12/564947812.db2.gz HZLITKJLDCEFKN-UHFFFAOYSA-N 0 1 380.239 3.376 20 0 GGADMN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000152139163 564947863 /nfs/dbraw/zinc/94/78/63/564947863.db2.gz FSCRIKCLEGUWQC-UHFFFAOYSA-N 0 1 387.230 3.347 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 ZINC000152160838 564949272 /nfs/dbraw/zinc/94/92/72/564949272.db2.gz RUJIXZMABAIQTC-YOEHRIQHSA-N 0 1 383.330 3.111 20 0 GGADMN Cc1nc(NC(=O)CNC[C@@H]2CCCO2)sc1Cc1cccc(Cl)c1 ZINC000152248782 564951753 /nfs/dbraw/zinc/95/17/53/564951753.db2.gz XVMVRKMDPVEURC-HNNXBMFYSA-N 0 1 379.913 3.403 20 0 GGADMN C[N@@H+](CCC(=O)N1CCOCC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000104079148 564953094 /nfs/dbraw/zinc/95/30/94/564953094.db2.gz RXKROEKGASOWSE-OAHLLOKOSA-N 0 1 399.354 3.167 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCOCC12CCC2 ZINC000152320067 564954893 /nfs/dbraw/zinc/95/48/93/564954893.db2.gz FKYVAENMQZAEFE-UHFFFAOYSA-N 0 1 376.254 3.234 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1Br ZINC000152332322 564955540 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Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(C)cc3Br)cc12 ZINC000152611843 564965329 /nfs/dbraw/zinc/96/53/29/564965329.db2.gz RIBLXDJJKKWCHM-UHFFFAOYSA-N 0 1 381.255 3.138 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)N1CCc2ccccc21 ZINC000105401027 564966713 /nfs/dbraw/zinc/96/67/13/564966713.db2.gz ONCSNIUEPWLTSS-UGSOOPFHSA-N 0 1 388.309 3.016 20 0 GGADMN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000152669204 564967828 /nfs/dbraw/zinc/96/78/28/564967828.db2.gz KUOVGDLLIXCNCL-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1Cl ZINC000105590288 564969032 /nfs/dbraw/zinc/96/90/32/564969032.db2.gz JSGGORRUYTUFIF-UHFFFAOYSA-N 0 1 389.216 3.237 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)ccc1F ZINC000105619665 564969421 /nfs/dbraw/zinc/96/94/21/564969421.db2.gz UYJUXCQYXPBBON-HNNXBMFYSA-N 0 1 382.526 3.386 20 0 GGADMN CC(C)COC[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1ccco1 ZINC000105619978 564969534 /nfs/dbraw/zinc/96/95/34/564969534.db2.gz 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CC[C@H](NC(=O)N1CCN(C2CCC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000266697545 565089045 /nfs/dbraw/zinc/08/90/45/565089045.db2.gz DUFLNEMSCCZGHE-LBPRGKRZSA-N 0 1 376.448 3.493 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(C)CCc1cccc(Br)c1 ZINC000291993219 565090740 /nfs/dbraw/zinc/09/07/40/565090740.db2.gz UQVSMDZWUZHCKL-UHFFFAOYSA-N 0 1 379.302 3.297 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Br)c1 ZINC000266790611 565091121 /nfs/dbraw/zinc/09/11/21/565091121.db2.gz PBIBCNHTBLVMLO-HZMBPMFUSA-N 0 1 392.219 3.283 20 0 GGADMN CCOC(=O)c1nnc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)s1 ZINC000156499429 565091095 /nfs/dbraw/zinc/09/10/95/565091095.db2.gz MURXIYZOVLNEDK-UHFFFAOYSA-N 0 1 377.813 3.011 20 0 GGADMN COC(=O)c1cn(C2CCN([C@H](C)c3ccc(Br)cc3)CC2)nn1 ZINC000183743950 565092611 /nfs/dbraw/zinc/09/26/11/565092611.db2.gz FSZDUMNLHSYMDW-GFCCVEGCSA-N 0 1 393.285 3.225 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)[nH]1 ZINC000266816927 565092719 /nfs/dbraw/zinc/09/27/19/565092719.db2.gz 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565101786 /nfs/dbraw/zinc/10/17/86/565101786.db2.gz LGXUWAXHATVJMF-PHIMTYICSA-N 0 1 396.563 3.171 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(N2CCC[NH+]=C2[O-])cc1 ZINC000292173936 565102196 /nfs/dbraw/zinc/10/21/96/565102196.db2.gz PSFXFHVJZOHGBA-LLVKDONJSA-N 0 1 399.925 3.361 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCc1ccccc1C(F)(F)F ZINC000267048328 565102383 /nfs/dbraw/zinc/10/23/83/565102383.db2.gz VLPGGQHFTSXATC-UHFFFAOYSA-N 0 1 379.454 3.297 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)C1CC1 ZINC000267035521 565102585 /nfs/dbraw/zinc/10/25/85/565102585.db2.gz FATNHLGGXJCMMM-UHFFFAOYSA-N 0 1 394.547 3.069 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000267050118 565104002 /nfs/dbraw/zinc/10/40/02/565104002.db2.gz VQYIUUJSFFGRRV-LLVKDONJSA-N 0 1 393.519 3.285 20 0 GGADMN OCCN(CCOc1ccc(Cl)cc1Br)Cc1cccnc1 ZINC000156768302 565104839 /nfs/dbraw/zinc/10/48/39/565104839.db2.gz XGDBJXFWNQCVAD-UHFFFAOYSA-N 0 1 385.689 3.371 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)n1 ZINC000267137736 565106849 /nfs/dbraw/zinc/10/68/49/565106849.db2.gz GPJCOJWBRLDLPS-UHFFFAOYSA-N 0 1 396.303 3.445 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc2c1OCC2)c1cccs1 ZINC000184001895 565109243 /nfs/dbraw/zinc/10/92/43/565109243.db2.gz AHVORLVPWDEVCM-OAHLLOKOSA-N 0 1 379.913 3.439 20 0 GGADMN C[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1cccc(Br)c1 ZINC000292328918 565109814 /nfs/dbraw/zinc/10/98/14/565109814.db2.gz ASAFUMRLULALIE-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN COc1ccc(Br)c(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)c1 ZINC000369772506 565112990 /nfs/dbraw/zinc/11/29/90/565112990.db2.gz LERIRTWCLNCJQT-AEFFLSMTSA-N 0 1 389.293 3.285 20 0 GGADMN CC(C)(C)c1nc(C[S@@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)n[nH]1 ZINC000292393738 565113994 /nfs/dbraw/zinc/11/39/94/565113994.db2.gz WEFRSCIQMAKZMR-RUZDIDTESA-N 0 1 379.873 3.255 20 0 GGADMN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1csc(N(C)C)n1 ZINC000157011297 565114713 /nfs/dbraw/zinc/11/47/13/565114713.db2.gz 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C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000157653403 565139941 /nfs/dbraw/zinc/13/99/41/565139941.db2.gz CCIJTKPGKXHJHG-GFCCVEGCSA-N 0 1 377.286 3.152 20 0 GGADMN CCNC(=O)NC(=O)CN[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184514186 565140617 /nfs/dbraw/zinc/14/06/17/565140617.db2.gz JNXIUUDGHAPJLQ-SNVBAGLBSA-N 0 1 380.901 3.268 20 0 GGADMN COCCOc1cc(C)ccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157667115 565140759 /nfs/dbraw/zinc/14/07/59/565140759.db2.gz ODXMWTIIZBTXJG-UHFFFAOYSA-N 0 1 375.368 3.238 20 0 GGADMN CCN(C[C@@H]1CCN(C(=O)c2sccc2CN(C)C)C1)CC(F)(F)F ZINC000268118533 565140829 /nfs/dbraw/zinc/14/08/29/565140829.db2.gz NHMQRJYFJZNGGK-ZDUSSCGKSA-N 0 1 377.476 3.156 20 0 GGADMN C[C@@](O)(CN(CCO)Cc1cccnc1)c1ccc(Br)cc1Cl ZINC000292917735 565140991 /nfs/dbraw/zinc/14/09/91/565140991.db2.gz XTEJLYCCWPKXIT-QGZVFWFLSA-N 0 1 399.716 3.200 20 0 GGADMN COC[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1cccc(Cl)c1 ZINC000292935221 565141864 /nfs/dbraw/zinc/14/18/64/565141864.db2.gz FZSBAJJVACHIQM-JTQLQIEISA-N 0 1 375.928 3.076 20 0 GGADMN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nc1 ZINC000157732715 565142646 /nfs/dbraw/zinc/14/26/46/565142646.db2.gz BTSFQQZQAUHNFF-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN OCc1cn([C@H]2CCCN([C@@H]3CCCc4ccc(Br)cc43)C2)nn1 ZINC000292965060 565142994 /nfs/dbraw/zinc/14/29/94/565142994.db2.gz LTLGEPVJXHEFOQ-FUHWJXTLSA-N 0 1 391.313 3.247 20 0 GGADMN Cn1cc(-c2ncccc2NS(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000370464656 565144007 /nfs/dbraw/zinc/14/40/07/565144007.db2.gz WEYCUOBFRLRYCL-UHFFFAOYSA-N 0 1 393.266 3.045 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(Br)s3)[nH]c21 ZINC000157808684 565144489 /nfs/dbraw/zinc/14/44/89/565144489.db2.gz RIIFNWKCPQHAOT-UHFFFAOYSA-N 0 1 380.223 3.426 20 0 GGADMN COCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000157882527 565147591 /nfs/dbraw/zinc/14/75/91/565147591.db2.gz ULYRHMJQFGEKGD-UHFFFAOYSA-N 0 1 379.372 3.451 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)Nc2n[nH]c3cc(O)ccc32)n1 ZINC000615136386 565148284 /nfs/dbraw/zinc/14/82/84/565148284.db2.gz TWMNANFAKNQUBG-UHFFFAOYSA-N 0 1 378.230 3.235 20 0 GGADMN O=C(c1cc(Cl)c(F)cc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000293076529 565149458 /nfs/dbraw/zinc/14/94/58/565149458.db2.gz MDSIMKDTHHRORH-UHFFFAOYSA-N 0 1 375.271 3.317 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000268362540 565149659 /nfs/dbraw/zinc/14/96/59/565149659.db2.gz PWWQDVGKDZQAQF-PHIMTYICSA-N 0 1 375.332 3.048 20 0 GGADMN C[C@H](c1cnccn1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000184636703 565150266 /nfs/dbraw/zinc/15/02/66/565150266.db2.gz LUKVWQCNYBRFNL-OLZOCXBDSA-N 0 1 390.285 3.046 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2ccc(Cl)s2)n1 ZINC000158094504 565155792 /nfs/dbraw/zinc/15/57/92/565155792.db2.gz KSVAKWRJSWEVQY-VIFPVBQESA-N 0 1 387.914 3.253 20 0 GGADMN O=C(NCc1cc(F)ccc1Br)c1ccc(-c2nnc[nH]2)cc1 ZINC000184781265 565156780 /nfs/dbraw/zinc/15/67/80/565156780.db2.gz PESNKNXTQRBHKU-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCCCS(=O)(=O)C(C)C)n1 ZINC000158125807 565156900 /nfs/dbraw/zinc/15/69/00/565156900.db2.gz BGBWVFISEZQBAD-UHFFFAOYSA-N 0 1 389.930 3.439 20 0 GGADMN CCCN(CC(=O)Nc1c(F)cc(F)cc1Br)CC(C)(C)O ZINC000268548991 565158027 /nfs/dbraw/zinc/15/80/27/565158027.db2.gz MGZXWPXVORMKEY-UHFFFAOYSA-N 0 1 379.245 3.149 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)nc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184881477 565163285 /nfs/dbraw/zinc/16/32/85/565163285.db2.gz IKSIKSLMHRPLCT-LLVKDONJSA-N 0 1 386.832 3.090 20 0 GGADMN CN(CCNCc1cnc(C2CCCC2)s1)S(=O)(=O)c1cccs1 ZINC000158289235 565164145 /nfs/dbraw/zinc/16/41/45/565164145.db2.gz GLLYBLWBEGSVAT-UHFFFAOYSA-N 0 1 385.580 3.273 20 0 GGADMN CN(CCNCc1cnc(-c2ccccc2)s1)S(=O)(=O)c1cccs1 ZINC000158283337 565164197 /nfs/dbraw/zinc/16/41/97/565164197.db2.gz PNWSWPZFBLFUDY-UHFFFAOYSA-N 0 1 393.559 3.282 20 0 GGADMN CC(C)(C)c1ccc([C@H](O)CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000268723702 565165224 /nfs/dbraw/zinc/16/52/24/565165224.db2.gz WQLWTDJMCAFNTM-GFCCVEGCSA-N 0 1 383.564 3.066 20 0 GGADMN Cc1c(Br)scc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000184924761 565166109 /nfs/dbraw/zinc/16/61/09/565166109.db2.gz WWJVGCLOPXXOSE-QWRGUYRKSA-N 0 1 375.332 3.048 20 0 GGADMN CN(C)C1CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000158321081 565166144 /nfs/dbraw/zinc/16/61/44/565166144.db2.gz XCRSPNKJBSXTAM-UHFFFAOYSA-N 0 1 379.254 3.007 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cnc(C3CCC3)s2)c(C)s1 ZINC000158381096 565167306 /nfs/dbraw/zinc/16/73/06/565167306.db2.gz QOFGSCCKDCFEFR-UHFFFAOYSA-N 0 1 385.580 3.157 20 0 GGADMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000268812817 565168863 /nfs/dbraw/zinc/16/88/63/565168863.db2.gz DQUGJQZERWRQKR-BLLLJJGKSA-N 0 1 379.551 3.430 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4cn[nH]c43)s2)cs1 ZINC000268819098 565169044 /nfs/dbraw/zinc/16/90/44/565169044.db2.gz WXZUNVRIBGFSFS-LLVKDONJSA-N 0 1 380.520 3.259 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](C)Cn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268829699 565169634 /nfs/dbraw/zinc/16/96/34/565169634.db2.gz QRLYIOLCXMVMTC-QWHCGFSZSA-N 0 1 389.301 3.274 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCCc4cn[nH]c43)s2)cs1 ZINC000268819099 565169786 /nfs/dbraw/zinc/16/97/86/565169786.db2.gz WXZUNVRIBGFSFS-NSHDSACASA-N 0 1 380.520 3.259 20 0 GGADMN CN(C)C1CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000158439616 565170400 /nfs/dbraw/zinc/17/04/00/565170400.db2.gz GNLXJLQHSKKKKF-UHFFFAOYSA-N 0 1 376.254 3.022 20 0 GGADMN Cc1c([C@H](C)NCCSCCCO)nnn1-c1cccc(Br)c1 ZINC000268893959 565170755 /nfs/dbraw/zinc/17/07/55/565170755.db2.gz PNDUUVPPEJBWFI-LBPRGKRZSA-N 0 1 399.358 3.104 20 0 GGADMN Cc1c([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)nnn1-c1cccc(Br)c1 ZINC000268866698 565170779 /nfs/dbraw/zinc/17/07/79/565170779.db2.gz FKKDYJUZWVTVPA-KCXZSRPNSA-N 0 1 377.286 3.309 20 0 GGADMN Cc1nnc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)o1 ZINC000293487699 565171203 /nfs/dbraw/zinc/17/12/03/565171203.db2.gz GIYFMSVWQFSZGY-UHFFFAOYSA-N 0 1 384.249 3.161 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1cccs1 ZINC000268952195 565173127 /nfs/dbraw/zinc/17/31/27/565173127.db2.gz SMCDJKCBKDYOPH-QMMMGPOBSA-N 0 1 379.433 3.129 20 0 GGADMN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269040595 565176634 /nfs/dbraw/zinc/17/66/34/565176634.db2.gz YIZBELPZWXNNQJ-BXUZGUMPSA-N 0 1 376.869 3.060 20 0 GGADMN CN1CCN(C)[C@H](CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000293613386 565177949 /nfs/dbraw/zinc/17/79/49/565177949.db2.gz GRKZLRPYOVEMMT-QAPCUYQASA-N 0 1 396.304 3.106 20 0 GGADMN CC(C)(CO)[C@@H](NCc1cnc2ccc(Br)cn12)c1cccnc1 ZINC000293643222 565178771 /nfs/dbraw/zinc/17/87/71/565178771.db2.gz MKUDGZCKAAUKNN-KRWDZBQOSA-N 0 1 389.297 3.341 20 0 GGADMN O[C@H](CN[C@@H](c1cccs1)c1nnc[nH]1)COc1cccc(Cl)c1Cl ZINC000293746798 565182045 /nfs/dbraw/zinc/18/20/45/565182045.db2.gz NXMDNOUFDZAIIN-BMIGLBTASA-N 0 1 399.303 3.292 20 0 GGADMN Cc1cc(N2CC[C@H](NCc3cnn(C(C)C)c3)C2=O)ccc1Br ZINC000185188534 565185943 /nfs/dbraw/zinc/18/59/43/565185943.db2.gz NPPRCYWJZKFGNB-KRWDZBQOSA-N 0 1 391.313 3.430 20 0 GGADMN CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4cccs4)s3)C2)CC1 ZINC000371331827 565187782 /nfs/dbraw/zinc/18/77/82/565187782.db2.gz KYJRTDHTEPDABI-MRXNPFEDSA-N 0 1 376.595 3.472 20 0 GGADMN CC(C)C1(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000293887269 565189934 /nfs/dbraw/zinc/18/99/34/565189934.db2.gz JBZKUGBKYIICDH-UHFFFAOYSA-N 0 1 396.228 3.463 20 0 GGADMN Brc1cc(CN[C@@H](CN2CCOCC2)c2ccccc2)ccn1 ZINC000293931216 565190520 /nfs/dbraw/zinc/19/05/20/565190520.db2.gz YUSHEZNSHLWPIH-KRWDZBQOSA-N 0 1 376.298 3.007 20 0 GGADMN COC1CCN(CCNC(=O)c2cc3cc(Br)cc(C)c3o2)CC1 ZINC000159000953 565190932 /nfs/dbraw/zinc/19/09/32/565190932.db2.gz ZFXPEJJRCRKYHV-UHFFFAOYSA-N 0 1 395.297 3.344 20 0 GGADMN CCc1cnc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)s1 ZINC000185270415 565191517 /nfs/dbraw/zinc/19/15/17/565191517.db2.gz XOVJIVPDPLWDNS-LLVKDONJSA-N 0 1 386.470 3.061 20 0 GGADMN O=C(Nc1ccccc1-c1nnc[nH]1)[C@@H]1COc2ccc(Br)cc21 ZINC000371402158 565191583 /nfs/dbraw/zinc/19/15/83/565191583.db2.gz VEFXSXVRNXGSTF-CYBMUJFWSA-N 0 1 385.221 3.349 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000185267490 565191903 /nfs/dbraw/zinc/19/19/03/565191903.db2.gz UOUNDCYHOOIIMX-LLVKDONJSA-N 0 1 386.832 3.090 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1n[nH]c2ccccc21 ZINC000159047133 565193186 /nfs/dbraw/zinc/19/31/86/565193186.db2.gz MXKKHWMZCFOALE-UHFFFAOYSA-N 0 1 387.237 3.002 20 0 GGADMN CCc1nc(C)c([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000185300754 565194913 /nfs/dbraw/zinc/19/49/13/565194913.db2.gz QFXHXSHEESBJNW-ZDUSSCGKSA-N 0 1 379.551 3.405 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3csc(Br)c3C)CC2)c1 ZINC000185322235 565195972 /nfs/dbraw/zinc/19/59/72/565195972.db2.gz HEDJNTMIGUEACL-UHFFFAOYSA-N 0 1 396.310 3.185 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sc(C)cc2OC(F)F)c1 ZINC000269645025 565196816 /nfs/dbraw/zinc/19/68/16/565196816.db2.gz PBHLWGZOPDSRFZ-UHFFFAOYSA-N 0 1 391.417 3.409 20 0 GGADMN CCCS(=O)(=O)NC1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159156755 565197044 /nfs/dbraw/zinc/19/70/44/565197044.db2.gz ZLOXTHXFORGWTB-UHFFFAOYSA-N 0 1 395.352 3.166 20 0 GGADMN CCn1cc([C@H](C)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185359039 565197057 /nfs/dbraw/zinc/19/70/57/565197057.db2.gz JFZPRRUZDJDADY-SUMWQHHRSA-N 0 1 391.313 3.430 20 0 GGADMN CCn1cc([C@@H](C)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185359022 565197085 /nfs/dbraw/zinc/19/70/85/565197085.db2.gz JFZPRRUZDJDADY-CXAGYDPISA-N 0 1 391.313 3.430 20 0 GGADMN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000294084338 565197497 /nfs/dbraw/zinc/19/74/97/565197497.db2.gz MGMSQNMJKLZHOZ-XVSDVWIESA-N 0 1 391.309 3.251 20 0 GGADMN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000294084323 565197616 /nfs/dbraw/zinc/19/76/16/565197616.db2.gz MGMSQNMJKLZHOZ-OMWUSAIZSA-N 0 1 391.309 3.251 20 0 GGADMN O[C@@H](CN1CCN(CCc2cccs2)CC1)c1ccccc1Br ZINC000269692949 565198075 /nfs/dbraw/zinc/19/80/75/565198075.db2.gz JUQFWYHUZRWPLU-SFHVURJKSA-N 0 1 395.366 3.404 20 0 GGADMN C[C@@](N)(C(=O)NCCc1ccc(Cl)nc1)c1ccc(Br)cc1 ZINC000294129933 565199942 /nfs/dbraw/zinc/19/99/42/565199942.db2.gz PPLZAGBXDGASBT-INIZCTEOSA-N 0 1 382.689 3.030 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000269793555 565200201 /nfs/dbraw/zinc/20/02/01/565200201.db2.gz HRTYTQQCFSMWAD-VIFPVBQESA-N 0 1 387.939 3.252 20 0 GGADMN Cc1cc(OC[C@H](O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c(C(C)C)cc1Cl ZINC000185422320 565200211 /nfs/dbraw/zinc/20/02/11/565200211.db2.gz WOCVOPMLUUXEBX-OWWKKJFISA-N 0 1 375.962 3.210 20 0 GGADMN Cc1cc(OC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O)c(C(C)C)cc1Cl ZINC000185422320 565200212 /nfs/dbraw/zinc/20/02/12/565200212.db2.gz WOCVOPMLUUXEBX-OWWKKJFISA-N 0 1 375.962 3.210 20 0 GGADMN COc1ccc(Br)c(CN[C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269901564 565202262 /nfs/dbraw/zinc/20/22/62/565202262.db2.gz FSEXFRRHHWMLLG-CRAIPNDOSA-N 0 1 380.282 3.032 20 0 GGADMN CC(=O)N(c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)[C@@H]1C[C@@H]1C ZINC000294194233 565202281 /nfs/dbraw/zinc/20/22/81/565202281.db2.gz OZBZKDVNDCKOPT-TVQRCGJNSA-N 0 1 394.547 3.319 20 0 GGADMN CN1CCN(C)[C@@H](CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000269918156 565203375 /nfs/dbraw/zinc/20/33/75/565203375.db2.gz KCQMIXWABBVFDT-ZDUSSCGKSA-N 0 1 385.364 3.452 20 0 GGADMN Cc1cccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1Br ZINC000185494340 565204971 /nfs/dbraw/zinc/20/49/71/565204971.db2.gz AOJARDDCJVGKGY-AWEZNQCLSA-N 0 1 384.318 3.236 20 0 GGADMN Cc1ncc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000270004968 565205967 /nfs/dbraw/zinc/20/59/67/565205967.db2.gz SJHXSXATLVWUAH-RHSMWYFYSA-N 0 1 379.551 3.125 20 0 GGADMN O=C(Nc1ccnc(Br)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000294330968 565207653 /nfs/dbraw/zinc/20/76/53/565207653.db2.gz WSNSPQYEQLHQJL-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCN2CCCC[C@@H]2C1 ZINC000185565301 565207885 /nfs/dbraw/zinc/20/78/85/565207885.db2.gz NHDXZQQVRKAKCY-MRXNPFEDSA-N 0 1 391.313 3.310 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000185555628 565208011 /nfs/dbraw/zinc/20/80/11/565208011.db2.gz WUFOLSSHCUHLMY-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000270128961 565209340 /nfs/dbraw/zinc/20/93/40/565209340.db2.gz OEEHTGLHMYPYNC-VAZLSXMYSA-N 0 1 379.551 3.149 20 0 GGADMN Oc1cc(F)cc(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000185584253 565210075 /nfs/dbraw/zinc/21/00/75/565210075.db2.gz FGJCQJXDNXHEQC-UHFFFAOYSA-N 0 1 395.272 3.420 20 0 GGADMN C[C@@H]1OCC[C@@]1(O)CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294384115 565211022 /nfs/dbraw/zinc/21/10/22/565211022.db2.gz RNPJWUGHCKXBOA-MZPVMMEZSA-N 0 1 384.245 3.400 20 0 GGADMN C[S@](=O)C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000159596770 565211915 /nfs/dbraw/zinc/21/19/15/565211915.db2.gz GNGOZOCZGVMLGE-IQMFZBJNSA-N 0 1 396.306 3.387 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cnn(C)c2Cl)CC1 ZINC000294423181 565212408 /nfs/dbraw/zinc/21/24/08/565212408.db2.gz LSEKWQDYKHRBDS-UHFFFAOYSA-N 0 1 382.295 3.121 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1nccs1 ZINC000185623261 565212427 /nfs/dbraw/zinc/21/24/27/565212427.db2.gz DCABGQYLJDDEPO-PSASIEDQSA-N 0 1 375.420 3.197 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000270259111 565213651 /nfs/dbraw/zinc/21/36/51/565213651.db2.gz TZUMNXBYJVBVQS-ZDUSSCGKSA-N 0 1 380.897 3.423 20 0 GGADMN Cn1cnc(-c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)n1 ZINC000185641111 565213959 /nfs/dbraw/zinc/21/39/59/565213959.db2.gz JBWNXLKJGIYFFW-UHFFFAOYSA-N 0 1 393.266 3.045 20 0 GGADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000185658646 565214633 /nfs/dbraw/zinc/21/46/33/565214633.db2.gz URAOTTIYIVHCNL-FQEVSTJZSA-N 0 1 388.308 3.128 20 0 GGADMN O=C(CCCOc1ccccc1Br)N1CCC(c2nc[nH]n2)CC1 ZINC000371923447 565215090 /nfs/dbraw/zinc/21/50/90/565215090.db2.gz QMLCZGVTQMPRAB-UHFFFAOYSA-N 0 1 393.285 3.132 20 0 GGADMN CN(CCSc1nnc(NC[C@H]2CCCO2)s1)Cc1ccc(F)cc1 ZINC000185685630 565215513 /nfs/dbraw/zinc/21/55/13/565215513.db2.gz PADGIRVTYNIQHE-OAHLLOKOSA-N 0 1 382.530 3.492 20 0 GGADMN COC(=O)CSCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000270393481 565217409 /nfs/dbraw/zinc/21/74/09/565217409.db2.gz SRBHVFMGQXXJEZ-UHFFFAOYSA-N 0 1 382.663 3.043 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(-c3ncco3)c2)cs1 ZINC000371979182 565218418 /nfs/dbraw/zinc/21/84/18/565218418.db2.gz KUKJRDOVJUNEDP-UHFFFAOYSA-N 0 1 378.431 3.299 20 0 GGADMN CN(CCn1cccn1)Cc1cc(Br)cc(Br)c1N ZINC000185720850 565218437 /nfs/dbraw/zinc/21/84/37/565218437.db2.gz VQQGQTGHYJFSID-UHFFFAOYSA-N 0 1 388.107 3.122 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C2SCCS2)cc1 ZINC000270531289 565221722 /nfs/dbraw/zinc/22/17/22/565221722.db2.gz UKMFXYYHQNEJFC-UHFFFAOYSA-N 0 1 379.551 3.246 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000270560319 565222421 /nfs/dbraw/zinc/22/24/21/565222421.db2.gz JLFSAXCYIWEHCD-QMMMGPOBSA-N 0 1 393.332 3.100 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)Cc2ccccc2C(F)(F)F)n[nH]1 ZINC000270567597 565222739 /nfs/dbraw/zinc/22/27/39/565222739.db2.gz MHWTVMQGHBVFHE-SNVBAGLBSA-N 0 1 376.404 3.128 20 0 GGADMN CC(C)(C[C@@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1)C(N)=O ZINC000294690239 565223487 /nfs/dbraw/zinc/22/34/87/565223487.db2.gz CHVCVOZLELUKAX-ZDUSSCGKSA-N 0 1 393.329 3.210 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000270584980 565223647 /nfs/dbraw/zinc/22/36/47/565223647.db2.gz ASKIKRRYDSYUNH-GHMZBOCLSA-N 0 1 381.274 3.083 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)n[nH]1 ZINC000270606482 565223930 /nfs/dbraw/zinc/22/39/30/565223930.db2.gz FOIFRDUVJNPIJH-HTQZYQBOSA-N 0 1 376.408 3.354 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCCc2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000270605430 565224156 /nfs/dbraw/zinc/22/41/56/565224156.db2.gz DBHKHRUYEOABET-VIFPVBQESA-N 0 1 378.889 3.233 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270704478 565225877 /nfs/dbraw/zinc/22/58/77/565225877.db2.gz UAKLSZPMPGNKRS-VIFPVBQESA-N 0 1 381.889 3.119 20 0 GGADMN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1c(O)cccc1F ZINC000185873728 565226282 /nfs/dbraw/zinc/22/62/82/565226282.db2.gz KCIMCGOSNLDDES-OAHLLOKOSA-N 0 1 396.212 3.280 20 0 GGADMN Cc1ccccc1CN1CCCN(C(=O)CSCc2cscn2)CC1 ZINC000372187470 565226400 /nfs/dbraw/zinc/22/64/00/565226400.db2.gz RJWDARRKTSNLHX-UHFFFAOYSA-N 0 1 375.563 3.419 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2ccccc2Br)cc1 ZINC000185862150 565226533 /nfs/dbraw/zinc/22/65/33/565226533.db2.gz ATCSAPVJFJFOQO-UHFFFAOYSA-N 0 1 395.322 3.279 20 0 GGADMN CN1Cc2cc(NC(=O)c3ccc(Br)cc3O)ccc2NC1=O ZINC000185905675 565227157 /nfs/dbraw/zinc/22/71/57/565227157.db2.gz DGOMZTKSNVJRAN-UHFFFAOYSA-N 0 1 376.210 3.384 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n[nH]1 ZINC000270735006 565227341 /nfs/dbraw/zinc/22/73/41/565227341.db2.gz ZDBGGDLEIOOTCD-ZCFIWIBFSA-N 0 1 390.658 3.143 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(F)cc2Br)n[nH]1 ZINC000270745306 565227402 /nfs/dbraw/zinc/22/74/02/565227402.db2.gz NRXRFJISIJJMMN-SECBINFHSA-N 0 1 384.253 3.390 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Cc2c[nH]c3cc(Br)ccc23)n[nH]1 ZINC000270740019 565227465 /nfs/dbraw/zinc/22/74/65/565227465.db2.gz LCJMTOYMIRCVKY-VIFPVBQESA-N 0 1 376.258 3.031 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000270742752 565227529 /nfs/dbraw/zinc/22/75/29/565227529.db2.gz NJCCASURSBELKR-NXEZZACHSA-N 0 1 396.289 3.260 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2c(C)cc(Br)cc2OC)n[nH]1 ZINC000270727407 565227561 /nfs/dbraw/zinc/22/75/61/565227561.db2.gz QCFLZZUBJULKMX-SECBINFHSA-N 0 1 382.262 3.329 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2ccccc2I)n[nH]1 ZINC000270751920 565227599 /nfs/dbraw/zinc/22/75/99/565227599.db2.gz MZQDPUREDPUDAZ-VIFPVBQESA-N 0 1 384.221 3.024 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2c(C)cc(Br)cc2OC)n[nH]1 ZINC000270727409 565227658 /nfs/dbraw/zinc/22/76/58/565227658.db2.gz QCFLZZUBJULKMX-VIFPVBQESA-N 0 1 382.262 3.329 20 0 GGADMN CCN(CC)CCN(CCC(F)(F)F)Cc1cccc(S(C)(=O)=O)c1 ZINC000294782203 565227933 /nfs/dbraw/zinc/22/79/33/565227933.db2.gz KFBXJKLEOOZAAR-UHFFFAOYSA-N 0 1 380.476 3.186 20 0 GGADMN Cn1ncc(Br)c1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000294790450 565228081 /nfs/dbraw/zinc/22/80/81/565228081.db2.gz HNGJZACVIGAXCQ-ZDUSSCGKSA-N 0 1 390.241 3.163 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000270779654 565229160 /nfs/dbraw/zinc/22/91/60/565229160.db2.gz SHUFCSDXYFGNMX-SKDRFNHKSA-N 0 1 379.258 3.044 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)COc2ccc(Br)cc2F)n[nH]1 ZINC000270811362 565229604 /nfs/dbraw/zinc/22/96/04/565229604.db2.gz YCKLKJGAFIFLRU-SECBINFHSA-N 0 1 385.237 3.086 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)NCc1cccnc1 ZINC000185927552 565229828 /nfs/dbraw/zinc/22/98/28/565229828.db2.gz SPLOPJRZVXETKV-KRWDZBQOSA-N 0 1 390.325 3.413 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)Nc1cc(C)nn1C ZINC000185929809 565230247 /nfs/dbraw/zinc/23/02/47/565230247.db2.gz MSHJMOMBWVXAIN-OAHLLOKOSA-N 0 1 393.329 3.383 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1cccs1 ZINC000294823319 565230367 /nfs/dbraw/zinc/23/03/67/565230367.db2.gz RQFIZDCHHPWCOH-LLVKDONJSA-N 0 1 383.311 3.314 20 0 GGADMN CCOCCOc1ccc(Br)cc1CNCc1n[nH]c(C(C)C)n1 ZINC000294821484 565231022 /nfs/dbraw/zinc/23/10/22/565231022.db2.gz OYPSMDTUKLLFQH-UHFFFAOYSA-N 0 1 397.317 3.396 20 0 GGADMN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C[C@H]1CCNC(=O)CC1 ZINC000294849700 565231920 /nfs/dbraw/zinc/23/19/20/565231920.db2.gz BAWQNGNGWWFSRY-HBUWYVDXSA-N 0 1 381.314 3.127 20 0 GGADMN C[C@@](O)(CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc(Cl)c1 ZINC000372335972 565232414 /nfs/dbraw/zinc/23/24/14/565232414.db2.gz BZOQTDNPSOQQHF-SJLPKXTDSA-N 0 1 383.872 3.195 20 0 GGADMN C[C@](O)(CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc(Cl)c1 ZINC000372335973 565232964 /nfs/dbraw/zinc/23/29/64/565232964.db2.gz BZOQTDNPSOQQHF-WMZOPIPTSA-N 0 1 383.872 3.195 20 0 GGADMN C[C@](O)(CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1Cl ZINC000372339908 565233016 /nfs/dbraw/zinc/23/30/16/565233016.db2.gz XGQHVPZSMLLDNT-WMZOPIPTSA-N 0 1 383.872 3.195 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc(Cl)c(F)cc1Cl)N1CCN(C)CC1 ZINC000294880914 565233381 /nfs/dbraw/zinc/23/33/81/565233381.db2.gz UTQOUDCZRIGOMJ-MRXNPFEDSA-N 0 1 376.303 3.134 20 0 GGADMN COC(=O)c1coc([C@H](C)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000294896598 565234653 /nfs/dbraw/zinc/23/46/53/565234653.db2.gz FHKVLRRAUUVJTJ-LBPRGKRZSA-N 0 1 385.869 3.234 20 0 GGADMN O=C(CCN1CCC(C(=O)C(F)(F)F)CC1)NCc1ccccc1Cl ZINC000186005928 565234929 /nfs/dbraw/zinc/23/49/29/565234929.db2.gz INGZFDNMYJMQIP-UHFFFAOYSA-N 0 1 376.806 3.190 20 0 GGADMN Cc1nc(C2(NS(=O)(=O)c3c(Cl)ccnc3Cl)CCCCC2)no1 ZINC000271019570 565235776 /nfs/dbraw/zinc/23/57/76/565235776.db2.gz YPRLSZAHNNTBIV-UHFFFAOYSA-N 0 1 391.280 3.218 20 0 GGADMN O=c1c(Cl)c(NCc2n[nH]c(C3CC3)n2)cnn1-c1ccc(Cl)cc1 ZINC000294981866 565238348 /nfs/dbraw/zinc/23/83/48/565238348.db2.gz PETXEENBIJUAAH-UHFFFAOYSA-N 0 1 377.235 3.147 20 0 GGADMN CCN(C[C@H]1CCN(Cc2c(C)nc3sc(C)nn23)C1)CC(F)(F)F ZINC000271171026 565241701 /nfs/dbraw/zinc/24/17/01/565241701.db2.gz DRHQJHFBONLCIG-CYBMUJFWSA-N 0 1 375.464 3.114 20 0 GGADMN COc1cc(CN[C@H](CO)c2ccc(Br)cc2)cc2c1OCO2 ZINC000271199352 565242443 /nfs/dbraw/zinc/24/24/43/565242443.db2.gz FAIGFEJCBASPRH-CQSZACIVSA-N 0 1 380.238 3.010 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Br)cc(OC(C)C)c2)n1 ZINC000271212236 565242555 /nfs/dbraw/zinc/24/25/55/565242555.db2.gz MBFRVNMDGGWIKJ-UHFFFAOYSA-N 0 1 382.262 3.027 20 0 GGADMN O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(CO)o2)CC1 ZINC000271208056 565242975 /nfs/dbraw/zinc/24/29/75/565242975.db2.gz ZIGXTYBKEYZSLP-UHFFFAOYSA-N 0 1 393.281 3.385 20 0 GGADMN CSCc1cnc(CN2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)s1 ZINC000295112029 565245737 /nfs/dbraw/zinc/24/57/37/565245737.db2.gz WEXQGQHHZLDFPJ-MRXNPFEDSA-N 0 1 378.567 3.136 20 0 GGADMN C[C@H]1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C[C@H]1C ZINC000271300897 565247347 /nfs/dbraw/zinc/24/73/47/565247347.db2.gz BYQUISVMAWTMBB-AOOOYVTPSA-N 0 1 396.228 3.273 20 0 GGADMN CC1(C)C[C@@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000271334233 565248733 /nfs/dbraw/zinc/24/87/33/565248733.db2.gz SDGGKPZVHCBNHG-LBPRGKRZSA-N 0 1 382.201 3.073 20 0 GGADMN CC[C@H](CCc1ccc(Br)cc1)N[C@@H](C(N)=O)c1ccccn1 ZINC000295197727 565250077 /nfs/dbraw/zinc/25/00/77/565250077.db2.gz YDNISPWJZKBRHK-NVXWUHKLSA-N 0 1 376.298 3.372 20 0 GGADMN O=C(CCCN1CCC(F)(F)[C@H](CO)C1)c1ccc(Br)cc1 ZINC000295216284 565251905 /nfs/dbraw/zinc/25/19/05/565251905.db2.gz QDVACFWAMPVTIV-ZDUSSCGKSA-N 0 1 376.241 3.362 20 0 GGADMN C[C@@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cscn1 ZINC000271434448 565253092 /nfs/dbraw/zinc/25/30/92/565253092.db2.gz DMEOTYXFDAXVIZ-CYBMUJFWSA-N 0 1 383.514 3.176 20 0 GGADMN C[C@H]1C[C@H](NC[C@H](O)CS(=O)(=O)c2cccs2)c2ccsc2S1 ZINC000271432670 565253405 /nfs/dbraw/zinc/25/34/05/565253405.db2.gz BFVPTMKHIPUZKZ-GVXVVHGQSA-N 0 1 389.589 3.159 20 0 GGADMN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)cc1Br ZINC000372781900 565253762 /nfs/dbraw/zinc/25/37/62/565253762.db2.gz FKYQLOAQSBGZTI-NWDGAFQWSA-N 0 1 388.693 3.087 20 0 GGADMN C[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271460140 565254455 /nfs/dbraw/zinc/25/44/55/565254455.db2.gz HJWDLGKQJFMOMO-MEBBXXQBSA-N 0 1 389.851 3.406 20 0 GGADMN CC(C)C[C@H]1OCCC[C@H]1NCc1nnnn1-c1ccccc1Br ZINC000186336266 565255822 /nfs/dbraw/zinc/25/58/22/565255822.db2.gz OGIPFABJIUCXGN-GDBMZVCRSA-N 0 1 394.317 3.108 20 0 GGADMN CN1CCN(c2ncccc2CNCc2cccc(Br)c2F)CC1 ZINC000295292485 565257642 /nfs/dbraw/zinc/25/76/42/565257642.db2.gz XEQWIIIVUCDNRA-UHFFFAOYSA-N 0 1 393.304 3.025 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000271601759 565259962 /nfs/dbraw/zinc/25/99/62/565259962.db2.gz ZOLISTHFNKUCRV-PXAZEXFGSA-N 0 1 398.322 3.237 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295341036 565260320 /nfs/dbraw/zinc/26/03/20/565260320.db2.gz BCDDBMCGHKPYIC-WDEREUQCSA-N 0 1 379.243 3.120 20 0 GGADMN Cn1cc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c(-c2cccs2)n1 ZINC000373009784 565263917 /nfs/dbraw/zinc/26/39/17/565263917.db2.gz AEPLAPRQOPRUTG-UHFFFAOYSA-N 0 1 395.937 3.495 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc2c(cccc2Br)[nH]1 ZINC000160899128 565263954 /nfs/dbraw/zinc/26/39/54/565263954.db2.gz QSPNWOHUUFAYMR-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN Cc1cc(Br)c(F)cc1NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000186510596 565264066 /nfs/dbraw/zinc/26/40/66/565264066.db2.gz GLXVJGIOENVRBK-INIZCTEOSA-N 0 1 385.277 3.479 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](CCO)c1ccco1 ZINC000186520655 565265430 /nfs/dbraw/zinc/26/54/30/565265430.db2.gz XOOWPZMBNZLTEJ-IUODEOHRSA-N 0 1 381.270 3.473 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 ZINC000295441079 565265490 /nfs/dbraw/zinc/26/54/90/565265490.db2.gz YJUATCBFTSXNLB-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN COC1(C)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000271717001 565265726 /nfs/dbraw/zinc/26/57/26/565265726.db2.gz WFEBDCWIHJMCIE-UHFFFAOYSA-N 0 1 378.270 3.480 20 0 GGADMN Ic1ccc(NC2CCN(Cc3ccccn3)CC2)nc1 ZINC000295426814 565265970 /nfs/dbraw/zinc/26/59/70/565265970.db2.gz FJNHPHXRFMQZGF-UHFFFAOYSA-N 0 1 394.260 3.158 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295425210 565266137 /nfs/dbraw/zinc/26/61/37/565266137.db2.gz MJFMQEHYZGGPFL-SECBINFHSA-N 0 1 381.249 3.079 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3cc(Cl)c(N)c(Cl)c3)C2=O)n(C)n1 ZINC000271714117 565266191 /nfs/dbraw/zinc/26/61/91/565266191.db2.gz NBARHODOGRVKKR-IINYFYTJSA-N 0 1 382.295 3.074 20 0 GGADMN CSc1cc(C(=O)N[C@H]2CCCN(CCCO)C2)c(Cl)cc1Cl ZINC000295472442 565268389 /nfs/dbraw/zinc/26/83/89/565268389.db2.gz NJKLMASVQPGXKD-NSHDSACASA-N 0 1 377.337 3.292 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc([S@](C)=O)cc1 ZINC000271803514 565268650 /nfs/dbraw/zinc/26/86/50/565268650.db2.gz LRAJMIJCWACZQC-JXQWACKNSA-N 0 1 376.547 3.110 20 0 GGADMN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1ccc(Br)cc1 ZINC000373086696 565269254 /nfs/dbraw/zinc/26/92/54/565269254.db2.gz DNEONPKZSJZRGA-UHFFFAOYSA-N 0 1 379.239 3.035 20 0 GGADMN CCc1nc(CNC(=O)CCSc2ccnc3cc(Cl)ccc32)n[nH]1 ZINC000295492506 565269678 /nfs/dbraw/zinc/26/96/78/565269678.db2.gz FRUHAHQGQYVNGV-UHFFFAOYSA-N 0 1 375.885 3.367 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271853059 565269793 /nfs/dbraw/zinc/26/97/93/565269793.db2.gz WRVUNJAHZQDLBC-YDBLSZJJSA-N 0 1 380.897 3.375 20 0 GGADMN Cn1ccnc1[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100563 565270610 /nfs/dbraw/zinc/27/06/10/565270610.db2.gz SKQNLUUHTOOEEQ-XJKSGUPXSA-N 0 1 382.277 3.235 20 0 GGADMN Brc1cncc(CNc2ccc(CCN3CCOCC3)cc2)c1 ZINC000186601475 565270928 /nfs/dbraw/zinc/27/09/28/565270928.db2.gz QTDWHIWAGJRAQR-UHFFFAOYSA-N 0 1 376.298 3.331 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccccc1Br)[C@H](c1ccccc1)N(C)C ZINC000186588353 565270948 /nfs/dbraw/zinc/27/09/48/565270948.db2.gz IZEAFXCUZPUATE-SUMWQHHRSA-N 0 1 397.338 3.419 20 0 GGADMN Cc1c(CN[C@H]2CCCOc3ccc(I)cc32)cnn1C ZINC000373142296 565271575 /nfs/dbraw/zinc/27/15/75/565271575.db2.gz TXDMBMLHHBTHAF-HNNXBMFYSA-N 0 1 397.260 3.337 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCC1=CCN(C)CC1 ZINC000271911574 565271954 /nfs/dbraw/zinc/27/19/54/565271954.db2.gz RRTPXHVEVLYIGD-ZDUSSCGKSA-N 0 1 379.298 3.036 20 0 GGADMN O=C(Nc1cccc(CNCc2cncc(Br)c2)c1)[C@@H]1CCCO1 ZINC000186605582 565272030 /nfs/dbraw/zinc/27/20/30/565272030.db2.gz MKNZSSCHQZLFHY-KRWDZBQOSA-N 0 1 390.281 3.251 20 0 GGADMN O=C([C@@H](Cc1ccccc1)NCc1cncc(Br)c1)N1CCCC1 ZINC000186612335 565272294 /nfs/dbraw/zinc/27/22/94/565272294.db2.gz WXGLIZKTFXMDGT-GOSISDBHSA-N 0 1 388.309 3.167 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCC1=CCN(C)CC1 ZINC000271911571 565272311 /nfs/dbraw/zinc/27/23/11/565272311.db2.gz RRTPXHVEVLYIGD-CYBMUJFWSA-N 0 1 379.298 3.036 20 0 GGADMN C[C@@H](Cn1cc(Br)cn1)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625769 565273179 /nfs/dbraw/zinc/27/31/79/565273179.db2.gz OCSJVKVEUIZCME-SJCJKPOMSA-N 0 1 392.276 3.286 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000271981812 565273722 /nfs/dbraw/zinc/27/37/22/565273722.db2.gz DVPPQVUYXOVVGX-MGPLVRAMSA-N 0 1 398.257 3.304 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000186647030 565274623 /nfs/dbraw/zinc/27/46/23/565274623.db2.gz YMBDLIJMMZVTBU-HNNXBMFYSA-N 0 1 387.307 3.324 20 0 GGADMN COc1sc(CNCc2ccc(Cn3cncn3)cc2)cc1Br ZINC000272013116 565274774 /nfs/dbraw/zinc/27/47/74/565274774.db2.gz UFSLCTKHSPLKEV-UHFFFAOYSA-N 0 1 393.310 3.449 20 0 GGADMN CC(C)(C[C@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1)C(N)=O ZINC000295580023 565274812 /nfs/dbraw/zinc/27/48/12/565274812.db2.gz LXDSWMZXCOPZGK-CZUORRHYSA-N 0 1 383.330 3.096 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@H]1CCSc2ccc(F)cc21)C(F)(F)F ZINC000272053872 565275503 /nfs/dbraw/zinc/27/55/03/565275503.db2.gz HUYRNUYXQGHKAD-WFASDCNBSA-N 0 1 375.391 3.136 20 0 GGADMN CC1(C)C[C@H](O)CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000295609079 565277370 /nfs/dbraw/zinc/27/73/70/565277370.db2.gz XZYJIHLXGNRTIF-GFCCVEGCSA-N 0 1 380.286 3.482 20 0 GGADMN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186670994 565277426 /nfs/dbraw/zinc/27/74/26/565277426.db2.gz KCAJYZIGTWXGCN-UONOGXRCSA-N 0 1 384.929 3.218 20 0 GGADMN CSc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000272109281 565277537 /nfs/dbraw/zinc/27/75/37/565277537.db2.gz QGFKUSACWWFBDB-OAHLLOKOSA-N 0 1 377.535 3.136 20 0 GGADMN C[C@H]1C[C@H](NC[C@@](O)(c2nccn2C)C(F)(F)F)c2ccsc2S1 ZINC000272131201 565278626 /nfs/dbraw/zinc/27/86/26/565278626.db2.gz RQANSOHDPWSMPM-NURSFMCSSA-N 0 1 377.457 3.447 20 0 GGADMN CSc1ccc([C@H](C)NC[C@@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000272148281 565279765 /nfs/dbraw/zinc/27/97/65/565279765.db2.gz UMPWRGHVFJEQOP-ZUZCIYMTSA-N 0 1 377.407 3.382 20 0 GGADMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)nc1 ZINC000186714845 565279934 /nfs/dbraw/zinc/27/99/34/565279934.db2.gz CAYZQTHEKLOAID-GFCCVEGCSA-N 0 1 383.876 3.265 20 0 GGADMN COc1cccc([C@H](NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2Cl)c1 ZINC000272263914 565283210 /nfs/dbraw/zinc/28/32/10/565283210.db2.gz KMLYZRXNSNQJOC-LIRRHRJNSA-N 0 1 379.909 3.462 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCc2ncsc2C1 ZINC000373423263 565284214 /nfs/dbraw/zinc/28/42/14/565284214.db2.gz RQNLRSAAJREKEB-AWEZNQCLSA-N 0 1 376.551 3.185 20 0 GGADMN C[C@@H](CC(=O)N(C)C)NCc1cc(Br)ccc1Br ZINC000186761227 565284277 /nfs/dbraw/zinc/28/42/77/565284277.db2.gz DDLVWERTRORHLA-VIFPVBQESA-N 0 1 378.108 3.168 20 0 GGADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCc2ncsc2C1 ZINC000373423264 565284433 /nfs/dbraw/zinc/28/44/33/565284433.db2.gz RQNLRSAAJREKEB-CQSZACIVSA-N 0 1 376.551 3.185 20 0 GGADMN CC(C)(C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757393 565284993 /nfs/dbraw/zinc/28/49/93/565284993.db2.gz XSDZTZOQKMDDFT-XJKSGUPXSA-N 0 1 383.330 3.096 20 0 GGADMN CC(C)(C[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757393 565284998 /nfs/dbraw/zinc/28/49/98/565284998.db2.gz XSDZTZOQKMDDFT-XJKSGUPXSA-N 0 1 383.330 3.096 20 0 GGADMN COc1ccc([C@H](NC[C@H]2CCS(=O)(=O)C2)c2ccccc2Cl)cc1 ZINC000272341088 565285369 /nfs/dbraw/zinc/28/53/69/565285369.db2.gz YTWFUAJGRXYZGD-KUHUBIRLSA-N 0 1 379.909 3.462 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2cn(C)nc2-c2cccs2)s1 ZINC000373474005 565287483 /nfs/dbraw/zinc/28/74/83/565287483.db2.gz KPLJZBFCWLQWMN-UHFFFAOYSA-N 0 1 381.548 3.294 20 0 GGADMN CC(C)c1nc(CNC(=O)CCCOc2ccccc2Br)n[nH]1 ZINC000295808800 565288322 /nfs/dbraw/zinc/28/83/22/565288322.db2.gz SQJFSUNPFZOSLM-UHFFFAOYSA-N 0 1 381.274 3.166 20 0 GGADMN CC(C)[C@H](O)CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272475080 565288893 /nfs/dbraw/zinc/28/88/93/565288893.db2.gz SELCEVPYSWTNLH-MOPGFXCFSA-N 0 1 381.925 3.439 20 0 GGADMN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000295833809 565289278 /nfs/dbraw/zinc/28/92/78/565289278.db2.gz CWGJPJCVLWXNPZ-WBMJQRKESA-N 0 1 384.933 3.266 20 0 GGADMN Cc1c([C@@H](C)NCCCCCS(C)(=O)=O)nnn1-c1ccc(Cl)cc1 ZINC000186851959 565290384 /nfs/dbraw/zinc/29/03/84/565290384.db2.gz QVWJEOLXZXXNFH-CYBMUJFWSA-N 0 1 384.933 3.095 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272522651 565290543 /nfs/dbraw/zinc/29/05/43/565290543.db2.gz PZUHCVAMZUGAKA-CKEIUWERSA-N 0 1 393.325 3.211 20 0 GGADMN Fc1cc(CN2CCN(CCc3ccncc3)CC2)ccc1Br ZINC000161682197 565290620 /nfs/dbraw/zinc/29/06/20/565290620.db2.gz TUUFVNWLPPEJJU-UHFFFAOYSA-N 0 1 378.289 3.344 20 0 GGADMN C[C@H]1CN(CCCNC(=O)CCCc2ccccc2Br)C[C@H](C)O1 ZINC000161710781 565291262 /nfs/dbraw/zinc/29/12/62/565291262.db2.gz AAEQVWHYEPSSGM-HOTGVXAUSA-N 0 1 397.357 3.387 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000186885485 565292349 /nfs/dbraw/zinc/29/23/49/565292349.db2.gz HDBLWMYVIQETSJ-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN CN(CC(=O)NCCc1cc(Cl)ccc1Br)[C@@H]1CCSC1 ZINC000161739008 565293086 /nfs/dbraw/zinc/29/30/86/565293086.db2.gz YARQONBFUMGNHJ-CYBMUJFWSA-N 0 1 391.762 3.199 20 0 GGADMN CN(CC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[C@@H]1CCSC1 ZINC000161754112 565293166 /nfs/dbraw/zinc/29/31/66/565293166.db2.gz GSEIZTQUCWPEJK-NWDGAFQWSA-N 0 1 393.500 3.305 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Br)cc1Cl ZINC000186903076 565293503 /nfs/dbraw/zinc/29/35/03/565293503.db2.gz ZZPVXJLTXFKZCM-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000373608648 565293596 /nfs/dbraw/zinc/29/35/96/565293596.db2.gz LFTHSVPNIQWQNS-UHFFFAOYSA-N 0 1 388.225 3.199 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(Br)c1Cl ZINC000186897429 565293685 /nfs/dbraw/zinc/29/36/85/565293685.db2.gz PCUYHGZUULYPLG-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN CC[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(Cl)c1F ZINC000161821463 565294474 /nfs/dbraw/zinc/29/44/74/565294474.db2.gz STSSFIZGJBALDI-BBRMVZONSA-N 0 1 392.924 3.008 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000186912266 565294765 /nfs/dbraw/zinc/29/47/65/565294765.db2.gz QRRINGYMJDYXQM-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN Cc1nnc(SCCC(=O)NCCOc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000295961368 565294954 /nfs/dbraw/zinc/29/49/54/565294954.db2.gz INRFATBFCCZQFM-UHFFFAOYSA-N 0 1 375.281 3.097 20 0 GGADMN NC(=O)[C@H](NCCc1nc2ccccc2s1)c1cccc(Br)c1 ZINC000161848757 565295006 /nfs/dbraw/zinc/29/50/06/565295006.db2.gz DZDNWBSZHCOIBO-MRXNPFEDSA-N 0 1 390.306 3.418 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000186922841 565295587 /nfs/dbraw/zinc/29/55/87/565295587.db2.gz YNLPBAQMWCDGGZ-BPLDGKMQSA-N 0 1 385.335 3.401 20 0 GGADMN CC(C)C[C@H](CN[C@H](C)c1ncc(Br)cc1F)N1CCOCC1 ZINC000186959319 565297943 /nfs/dbraw/zinc/29/79/43/565297943.db2.gz HGLMGPRQNXVGJK-UKRRQHHQSA-N 0 1 388.325 3.381 20 0 GGADMN C[C@@H](NCCc1nnc2n1CCCCC2)c1ncc(Br)cc1F ZINC000186973603 565298924 /nfs/dbraw/zinc/29/89/24/565298924.db2.gz OTYABPZSLSYFEM-LLVKDONJSA-N 0 1 382.281 3.194 20 0 GGADMN CCn1cc([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(Br)cc2)cn1 ZINC000296051438 565299441 /nfs/dbraw/zinc/29/94/41/565299441.db2.gz NQZDWSNYPNVFGA-OLZOCXBDSA-N 0 1 379.302 3.194 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000161967895 565300350 /nfs/dbraw/zinc/30/03/50/565300350.db2.gz IPVKODMEPXDTKN-AWEZNQCLSA-N 0 1 386.945 3.415 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000186985241 565300785 /nfs/dbraw/zinc/30/07/85/565300785.db2.gz MBPXOPWGLQBZPE-LLVKDONJSA-N 0 1 378.822 3.276 20 0 GGADMN OC1CCN(CCN[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000296080383 565301423 /nfs/dbraw/zinc/30/14/23/565301423.db2.gz XGQCHVKVGRBXKP-GOSISDBHSA-N 0 1 379.298 3.178 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3sccc3Br)CC2)n[nH]1 ZINC000272908852 565302154 /nfs/dbraw/zinc/30/21/54/565302154.db2.gz WHOQUOQMCSZDFJ-UHFFFAOYSA-N 0 1 390.328 3.110 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(C)cc3Br)CC2)n[nH]1 ZINC000272900493 565302564 /nfs/dbraw/zinc/30/25/64/565302564.db2.gz VCFAOFUWXAGCLK-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272945981 565303297 /nfs/dbraw/zinc/30/32/97/565303297.db2.gz LVAREXSDBLOQNK-FNODVLLQSA-N 0 1 387.473 3.271 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc([S@](C)=O)cc1 ZINC000272945984 565303377 /nfs/dbraw/zinc/30/33/77/565303377.db2.gz LVAREXSDBLOQNK-YYUOZPCZSA-N 0 1 387.473 3.271 20 0 GGADMN COc1ccc([C@H](NC(=O)CSc2n[nH]c(=S)s2)C(F)(F)F)cc1 ZINC000273042726 565305554 /nfs/dbraw/zinc/30/55/54/565305554.db2.gz VPKCJYIWBQQVCN-JTQLQIEISA-N 0 1 395.453 3.347 20 0 GGADMN Cc1oc2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2c1C ZINC000187056476 565306078 /nfs/dbraw/zinc/30/60/78/565306078.db2.gz ZDFAITRLBAHEBJ-UHFFFAOYSA-N 0 1 379.459 3.254 20 0 GGADMN COc1cccc(OCCCN[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162142254 565306218 /nfs/dbraw/zinc/30/62/18/565306218.db2.gz RCJIAWOCSOAWIP-KRWDZBQOSA-N 0 1 393.281 3.043 20 0 GGADMN CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000187067953 565306972 /nfs/dbraw/zinc/30/69/72/565306972.db2.gz WLHAUPXTSBRRIV-UHFFFAOYSA-N 0 1 381.687 3.059 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000187075725 565307002 /nfs/dbraw/zinc/30/70/02/565307002.db2.gz ZKBDDTFUEMLYTG-ZDUSSCGKSA-N 0 1 377.535 3.136 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1ccc(F)cc1 ZINC000162174773 565307061 /nfs/dbraw/zinc/30/70/61/565307061.db2.gz DAHSKGONXLQYJD-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1ccccc1O[C@H](C)CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162173106 565307373 /nfs/dbraw/zinc/30/73/73/565307373.db2.gz YDUXPGIXIQYQPD-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN O=C1O[C@H](CN[C@@H](CO)c2ccc(Br)cc2)CN1c1ccccc1 ZINC000273083546 565307374 /nfs/dbraw/zinc/30/73/74/565307374.db2.gz HXRCIDQZGBTYOB-SJORKVTESA-N 0 1 391.265 3.098 20 0 GGADMN COc1ccc(O[C@@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162176038 565307549 /nfs/dbraw/zinc/30/75/49/565307549.db2.gz KTNJUDZDDALIEI-YVEFUNNKSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1ccccc1F ZINC000162173920 565307568 /nfs/dbraw/zinc/30/75/68/565307568.db2.gz SFNDISQHWRDOCE-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1ccc(F)cc1 ZINC000162174431 565307913 /nfs/dbraw/zinc/30/79/13/565307913.db2.gz DAHSKGONXLQYJD-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN COc1ccc(O[C@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162176143 565307985 /nfs/dbraw/zinc/30/79/85/565307985.db2.gz KTNJUDZDDALIEI-SJKOYZFVSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1cccc(F)c1 ZINC000162171261 565308015 /nfs/dbraw/zinc/30/80/15/565308015.db2.gz YHHHVNLEZBCZBE-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN CO[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1(C)C ZINC000296264546 565310033 /nfs/dbraw/zinc/31/00/33/565310033.db2.gz YLYFTCHHVKYCHX-AWEZNQCLSA-N 0 1 389.359 3.216 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCCN(C)CC(F)(F)F ZINC000187124612 565310815 /nfs/dbraw/zinc/31/08/15/565310815.db2.gz MRYYEUFOOAGNKT-UHFFFAOYSA-N 0 1 386.867 3.107 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000187120686 565311230 /nfs/dbraw/zinc/31/12/30/565311230.db2.gz AXZRWARCQYPLHV-UHFFFAOYSA-N 0 1 383.564 3.110 20 0 GGADMN CCNC(=O)c1ccc(CNCc2cccc(Br)c2OC)cc1 ZINC000187124698 565311247 /nfs/dbraw/zinc/31/12/47/565311247.db2.gz REEACJJFFLOIPH-UHFFFAOYSA-N 0 1 377.282 3.497 20 0 GGADMN Cc1ncc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)s1 ZINC000273236686 565312695 /nfs/dbraw/zinc/31/26/95/565312695.db2.gz SNFJTSZXLSQIAZ-CYBMUJFWSA-N 0 1 376.507 3.205 20 0 GGADMN COc1c(Br)cccc1CNCCNC(=O)c1ccc(C)cc1 ZINC000187156394 565313681 /nfs/dbraw/zinc/31/36/81/565313681.db2.gz OKGRDLCAJKVJLA-UHFFFAOYSA-N 0 1 377.282 3.286 20 0 GGADMN CN(Cc1nc(-c2ccccc2Cl)cs1)C1CCN(S(C)(=O)=O)CC1 ZINC000187164372 565313759 /nfs/dbraw/zinc/31/37/59/565313759.db2.gz CPOUREGESNOKAR-UHFFFAOYSA-N 0 1 399.969 3.319 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cnn(C)c2Br)[nH]1 ZINC000273264506 565314228 /nfs/dbraw/zinc/31/42/28/565314228.db2.gz UDCWMGIDKZIENS-UHFFFAOYSA-N 0 1 389.257 3.343 20 0 GGADMN Cc1cc([C@@H](NC[C@]2(O)CCS(=O)(=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000296363652 565314578 /nfs/dbraw/zinc/31/45/78/565314578.db2.gz IVFCAHXRAHKVON-ZWKOTPCHSA-N 0 1 399.965 3.247 20 0 GGADMN O=C(CN1CCC(n2cc(Br)cn2)CC1)N(C1CC1)C1CCCC1 ZINC000374009275 565314895 /nfs/dbraw/zinc/31/48/95/565314895.db2.gz AJCLITWQYYMFQF-UHFFFAOYSA-N 0 1 395.345 3.216 20 0 GGADMN C[C@H](C1CC1)N(C(=O)CN1CCC(n2cc(Br)cn2)CC1)C1CC1 ZINC000374009874 565314951 /nfs/dbraw/zinc/31/49/51/565314951.db2.gz HGCQINCSPFDQJU-CYBMUJFWSA-N 0 1 395.345 3.072 20 0 GGADMN O[C@H](CN1CCC(n2cc(Br)cn2)CC1)c1ccc(F)cc1F ZINC000374009680 565315119 /nfs/dbraw/zinc/31/51/19/565315119.db2.gz FHBHMSOBXJKLHI-MRXNPFEDSA-N 0 1 386.240 3.294 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cccc2[nH]c(=O)oc21 ZINC000162381824 565315281 /nfs/dbraw/zinc/31/52/81/565315281.db2.gz TUNMNVFYUPRFCD-UHFFFAOYSA-N 0 1 383.585 3.495 20 0 GGADMN C[C@@H](C1CC1)N(C(=O)CN1CCC(n2cc(Br)cn2)CC1)C1CC1 ZINC000374009876 565315275 /nfs/dbraw/zinc/31/52/75/565315275.db2.gz HGCQINCSPFDQJU-ZDUSSCGKSA-N 0 1 395.345 3.072 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273297410 565315494 /nfs/dbraw/zinc/31/54/94/565315494.db2.gz AKYNPDGXUZVTFM-RYUDHWBXSA-N 0 1 385.511 3.095 20 0 GGADMN CC[C@H](NCCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1Cl ZINC000162401421 565316345 /nfs/dbraw/zinc/31/63/45/565316345.db2.gz BHTDDYHBPLIGHN-HNNXBMFYSA-N 0 1 392.308 3.142 20 0 GGADMN COc1cc(Br)cc(C)c1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296430399 565317462 /nfs/dbraw/zinc/31/74/62/565317462.db2.gz SHCVYXPWVQTTBJ-UHFFFAOYSA-N 0 1 380.246 3.083 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)NCc1cc(=O)n2ccsc2n1 ZINC000162478855 565318828 /nfs/dbraw/zinc/31/88/28/565318828.db2.gz ACECQYWKTVVEOW-KRWDZBQOSA-N 0 1 378.885 3.142 20 0 GGADMN COc1c(Br)cccc1CNCc1ccccc1CS(C)(=O)=O ZINC000187281452 565320560 /nfs/dbraw/zinc/32/05/60/565320560.db2.gz IGGVSDWMQVCXLQ-UHFFFAOYSA-N 0 1 398.322 3.292 20 0 GGADMN CC(C)c1cc(CNS(=O)(=O)c2cc(F)c(Br)cc2F)on1 ZINC000162565221 565321209 /nfs/dbraw/zinc/32/12/09/565321209.db2.gz VDQZSVGTUKOHCV-UHFFFAOYSA-N 0 1 395.225 3.317 20 0 GGADMN O=C(C1=Cc2cc(Br)ccc2OC1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296521805 565321687 /nfs/dbraw/zinc/32/16/87/565321687.db2.gz VTDBYEKFIABGKH-AWEZNQCLSA-N 0 1 389.253 3.097 20 0 GGADMN C[C@@H](O)C[C@H](CNCc1c(Cl)cccc1S(C)(=O)=O)c1ccccc1 ZINC000273466790 565322519 /nfs/dbraw/zinc/32/25/19/565322519.db2.gz NVCLUGFAEVRMJL-GDBMZVCRSA-N 0 1 381.925 3.388 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273469207 565322780 /nfs/dbraw/zinc/32/27/80/565322780.db2.gz FIWNMBPOTANGJS-OLZOCXBDSA-N 0 1 399.538 3.437 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000162635869 565323671 /nfs/dbraw/zinc/32/36/71/565323671.db2.gz QIECNIUIALAEOQ-CVEARBPZSA-N 0 1 395.341 3.123 20 0 GGADMN COc1cc(CN[C@H]2C[C@H](C)Sc3sccc32)ccc1OCC(N)=O ZINC000162670556 565324235 /nfs/dbraw/zinc/32/42/35/565324235.db2.gz OURURHUHZWZQBX-FZMZJTMJSA-N 0 1 378.519 3.336 20 0 GGADMN CC[C@H](NCC(=O)N[C@@H](C(=O)NC)c1ccccc1)c1ccc(Cl)s1 ZINC000273553311 565324843 /nfs/dbraw/zinc/32/48/43/565324843.db2.gz XTYONCLXODHUHW-SUMWQHHRSA-N 0 1 379.913 3.046 20 0 GGADMN Cc1ccoc1C(=O)NCCCN[C@H](C)c1ncc(Br)cc1F ZINC000187349786 565325246 /nfs/dbraw/zinc/32/52/46/565325246.db2.gz OEWBTAUPJNDSDU-LLVKDONJSA-N 0 1 384.249 3.355 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)c1cccc(-c2nnc[nH]2)c1 ZINC000162824732 565328840 /nfs/dbraw/zinc/32/88/40/565328840.db2.gz QGDFHFCPEXAFET-UHFFFAOYSA-N 0 1 389.228 3.346 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H]3COc4ccc(Br)cc43)CC2)n[nH]1 ZINC000273674875 565329469 /nfs/dbraw/zinc/32/94/69/565329469.db2.gz YDQHJNZNROHJAU-OAHLLOKOSA-N 0 1 390.281 3.363 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)n[nH]1 ZINC000273668716 565329641 /nfs/dbraw/zinc/32/96/41/565329641.db2.gz XHOPNSGQWDAUMI-UHFFFAOYSA-N 0 1 378.274 3.101 20 0 GGADMN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCOc2ccccc2Br)cn1 ZINC000374315916 565330995 /nfs/dbraw/zinc/33/09/95/565330995.db2.gz GPUYVKKEHZYJNQ-RDJZCZTQSA-N 0 1 394.313 3.150 20 0 GGADMN CCc1nc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)n[nH]1 ZINC000163117412 565335971 /nfs/dbraw/zinc/33/59/71/565335971.db2.gz VXTQICZTOVKHOL-VIFPVBQESA-N 0 1 377.246 3.030 20 0 GGADMN CCOCCC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000163105623 565336001 /nfs/dbraw/zinc/33/60/01/565336001.db2.gz HPTZDTAQAYYMCJ-UHFFFAOYSA-N 0 1 398.269 3.212 20 0 GGADMN Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000163072427 565336012 /nfs/dbraw/zinc/33/60/12/565336012.db2.gz SAPPKJNRELUQFA-UHFFFAOYSA-N 0 1 388.649 3.176 20 0 GGADMN O=C(NCCCN1CCCCCC1=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187501989 565337079 /nfs/dbraw/zinc/33/70/79/565337079.db2.gz DCTSMMRUEQKQAR-UHFFFAOYSA-N 0 1 380.901 3.314 20 0 GGADMN Brc1csc(-c2noc(CN3CC[C@H]([C@H]4CCOC4)C3)n2)c1 ZINC000374400704 565338144 /nfs/dbraw/zinc/33/81/44/565338144.db2.gz BFURECUTPNFYJF-QWRGUYRKSA-N 0 1 384.299 3.419 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1Br ZINC000187546359 565339551 /nfs/dbraw/zinc/33/95/51/565339551.db2.gz LYGCLPUIGHJMGS-HNNXBMFYSA-N 0 1 396.329 3.252 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(Sc3nncs3)cc2)C1(C)C ZINC000187553441 565340654 /nfs/dbraw/zinc/34/06/54/565340654.db2.gz RYJRDUORDXPJFE-CXAGYDPISA-N 0 1 378.523 3.160 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374483526 565340982 /nfs/dbraw/zinc/34/09/82/565340982.db2.gz SZZAFFIYUKTVME-NOZJJQNGSA-N 0 1 381.263 3.029 20 0 GGADMN CCN1CCCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000163266046 565341446 /nfs/dbraw/zinc/34/14/46/565341446.db2.gz HMGVDSBMCYIAFB-UHFFFAOYSA-N 0 1 378.687 3.140 20 0 GGADMN C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ncc1F ZINC000273905241 565345123 /nfs/dbraw/zinc/34/51/23/565345123.db2.gz WMNGHYWCADCAAU-CMPLNLGQSA-N 0 1 387.224 3.213 20 0 GGADMN CN(CC(=O)NC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCSC1 ZINC000163793482 565351523 /nfs/dbraw/zinc/35/15/23/565351523.db2.gz AJIYMSDUFCUIEN-OAHLLOKOSA-N 0 1 383.355 3.382 20 0 GGADMN COC(=O)[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccsc1 ZINC000187746528 565352271 /nfs/dbraw/zinc/35/22/71/565352271.db2.gz RRJMTMJLUIEMSO-GFCCVEGCSA-N 0 1 394.250 3.031 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1Cl ZINC000274053438 565354107 /nfs/dbraw/zinc/35/41/07/565354107.db2.gz LPLODEFDGCHSGH-UHFFFAOYSA-N 0 1 383.779 3.210 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccsc1Cl ZINC000187776765 565354875 /nfs/dbraw/zinc/35/48/75/565354875.db2.gz HYAWRUOTGNMZHA-LBPRGKRZSA-N 0 1 383.926 3.355 20 0 GGADMN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccccc3Br)cn21 ZINC000187782686 565355118 /nfs/dbraw/zinc/35/51/18/565355118.db2.gz WBXALDJFUGYKBL-UHFFFAOYSA-N 0 1 395.282 3.416 20 0 GGADMN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cn21 ZINC000187782783 565355205 /nfs/dbraw/zinc/35/52/05/565355205.db2.gz KVVTYPBCSATEFH-UHFFFAOYSA-N 0 1 395.282 3.416 20 0 GGADMN Cc1sc(CCNC(=O)CN(C)[C@H]2CCSC2)nc1-c1ccccc1 ZINC000164005933 565355373 /nfs/dbraw/zinc/35/53/73/565355373.db2.gz ACMXSZNAXGQZSX-INIZCTEOSA-N 0 1 375.563 3.215 20 0 GGADMN O[C@@H](COCc1cccs1)CN1CCN(Cc2ccccc2Cl)CC1 ZINC000164033705 565355427 /nfs/dbraw/zinc/35/54/27/565355427.db2.gz ZLJMZERVASMQCV-QGZVFWFLSA-N 0 1 380.941 3.097 20 0 GGADMN CCSc1cc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccn1 ZINC000187791560 565356237 /nfs/dbraw/zinc/35/62/37/565356237.db2.gz IJQKQVUQXFQCAK-CYBMUJFWSA-N 0 1 380.535 3.457 20 0 GGADMN C[C@@H](NCCN1CCN(c2ncccn2)CC1)c1cc(Cl)sc1Cl ZINC000164267531 565357557 /nfs/dbraw/zinc/35/75/57/565357557.db2.gz FEHCXRGPDVCHOU-GFCCVEGCSA-N 0 1 386.352 3.318 20 0 GGADMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(Br)c(Br)c1 ZINC000187830792 565358120 /nfs/dbraw/zinc/35/81/20/565358120.db2.gz BVZUCEPKSKUJIS-VVVCHXIZSA-N 0 1 383.149 3.410 20 0 GGADMN CC(C)(CO)ONC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000297143624 565358296 /nfs/dbraw/zinc/35/82/96/565358296.db2.gz IMXMZRVSWKIRMB-UHFFFAOYSA-N 0 1 375.277 3.478 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)CC3 ZINC000374898930 565359336 /nfs/dbraw/zinc/35/93/36/565359336.db2.gz OXDRFOBLGCPPIQ-JTQLQIEISA-N 0 1 390.559 3.382 20 0 GGADMN CC[C@@H](NCC(=O)Nc1nc(CC(=O)OC)cs1)c1ccc(Cl)s1 ZINC000274164093 565359514 /nfs/dbraw/zinc/35/95/14/565359514.db2.gz LKXCOBGJFPPKKC-SNVBAGLBSA-N 0 1 387.914 3.253 20 0 GGADMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)cnc2N)c1C ZINC000164665500 565361511 /nfs/dbraw/zinc/36/15/11/565361511.db2.gz KFYXKTDLKNHNEH-UHFFFAOYSA-N 0 1 382.873 3.165 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000164598366 565361631 /nfs/dbraw/zinc/36/16/31/565361631.db2.gz OUUAQRQFCWOTNJ-GOSISDBHSA-N 0 1 384.351 3.164 20 0 GGADMN O=C(Nc1ccsc1Cl)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000187886196 565361795 /nfs/dbraw/zinc/36/17/95/565361795.db2.gz YBEKFKXTACDHFV-OAHLLOKOSA-N 0 1 377.897 3.293 20 0 GGADMN CCOc1cc(Br)ccc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297211539 565362418 /nfs/dbraw/zinc/36/24/18/565362418.db2.gz VNOLLBHOJRJAIH-UHFFFAOYSA-N 0 1 382.262 3.411 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)ccc1Cl ZINC000187942459 565364026 /nfs/dbraw/zinc/36/40/26/565364026.db2.gz VQFKQGVBTOODHR-KGLIPLIRSA-N 0 1 386.323 3.418 20 0 GGADMN O=C(c1cc(Cl)cc(F)c1Br)N1CCC(c2nc[nH]n2)CC1 ZINC000375065506 565366618 /nfs/dbraw/zinc/36/66/18/565366618.db2.gz OORRSTJFNSFHLN-UHFFFAOYSA-N 0 1 387.640 3.380 20 0 GGADMN Brc1c(CN[C@@H]2CCO[C@]3(CCSC3)C2)nc2ccccn21 ZINC000375069075 565366938 /nfs/dbraw/zinc/36/69/38/565366938.db2.gz HAJPDIQIQBFILV-MLGOLLRUSA-N 0 1 382.327 3.241 20 0 GGADMN Fc1ccc(N2CCOCC2)c(CNCc2cncc(Br)c2)c1 ZINC000274351403 565367378 /nfs/dbraw/zinc/36/73/78/565367378.db2.gz SFOOHAZEKYEDCK-UHFFFAOYSA-N 0 1 380.261 3.110 20 0 GGADMN CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000165154281 565367904 /nfs/dbraw/zinc/36/79/04/565367904.db2.gz KRUNYWNMCLECRE-SMDDNHRTSA-N 0 1 376.831 3.229 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000375111285 565369546 /nfs/dbraw/zinc/36/95/46/565369546.db2.gz OWVCLSKUEOMFQT-NSHDSACASA-N 0 1 387.939 3.172 20 0 GGADMN Cc1nccnc1[C@@H](C)NCCC(=O)N(C)Cc1ccccc1Br ZINC000187995560 565369886 /nfs/dbraw/zinc/36/98/86/565369886.db2.gz OIRJAVFLLGALMJ-CYBMUJFWSA-N 0 1 391.313 3.247 20 0 GGADMN Cc1nccnc1[C@H](C)NCCC(=O)N(C)Cc1ccccc1Br ZINC000187995589 565370120 /nfs/dbraw/zinc/37/01/20/565370120.db2.gz OIRJAVFLLGALMJ-ZDUSSCGKSA-N 0 1 391.313 3.247 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000375126508 565370395 /nfs/dbraw/zinc/37/03/95/565370395.db2.gz ABYBOANXPONMLA-UHFFFAOYSA-N 0 1 384.299 3.049 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)n2)c1 ZINC000375178084 565372742 /nfs/dbraw/zinc/37/27/42/565372742.db2.gz BBZWQZVTRXXNRJ-UTUOFQBUSA-N 0 1 388.225 3.319 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)c3cc(Cl)ccc3Cl)CCO2)n[nH]1 ZINC000188046131 565373194 /nfs/dbraw/zinc/37/31/94/565373194.db2.gz IWTLTGKJWQRSKJ-LKFCYVNXSA-N 0 1 384.267 3.264 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000375183969 565373870 /nfs/dbraw/zinc/37/38/70/565373870.db2.gz XYFTWNZGCIOBHW-UHFFFAOYSA-N 0 1 384.299 3.049 20 0 GGADMN CCCN(Cc1ccccc1Br)C(=O)NCc1n[nH]c(CC)n1 ZINC000297566178 565376992 /nfs/dbraw/zinc/37/69/92/565376992.db2.gz SHPFOFSGJZIHSH-UHFFFAOYSA-N 0 1 380.290 3.251 20 0 GGADMN CCn1cc(CN[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000167181429 565376981 /nfs/dbraw/zinc/37/69/81/565376981.db2.gz ZKHNKTRYRZLXSJ-KRWDZBQOSA-N 0 1 391.313 3.259 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CSc1n[nH]c(=S)s1)OC(C)C ZINC000274722298 565377785 /nfs/dbraw/zinc/37/77/85/565377785.db2.gz SLESTNVJSSVDHM-ZDUSSCGKSA-N 0 1 399.563 3.210 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(F)cc(Cl)c2O)no1 ZINC000274713596 565378283 /nfs/dbraw/zinc/37/82/83/565378283.db2.gz QYYOYZXDTBIXHG-QMMMGPOBSA-N 0 1 387.820 3.180 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2cccc(Cl)c2F)cc1F ZINC000274753630 565379883 /nfs/dbraw/zinc/37/98/83/565379883.db2.gz FKYXPQWYXOBOJZ-UHFFFAOYSA-N 0 1 386.851 3.448 20 0 GGADMN CC(C)c1nc(CNC(=O)NC2(Cc3ccccc3Br)CC2)n[nH]1 ZINC000297637182 565380268 /nfs/dbraw/zinc/38/02/68/565380268.db2.gz BPAKPJPRJJFGEI-UHFFFAOYSA-N 0 1 392.301 3.265 20 0 GGADMN CCOC(=O)c1cnc2c(Cl)c(NCCc3nc[nH]n3)ccc2c1Cl ZINC000297664712 565380846 /nfs/dbraw/zinc/38/08/46/565380846.db2.gz ZLFBCKWBIPYFJF-UHFFFAOYSA-N 0 1 380.235 3.491 20 0 GGADMN Cc1ccc(OCc2nc(CNCCCCCS(C)(=O)=O)cs2)cc1 ZINC000274772469 565380952 /nfs/dbraw/zinc/38/09/52/565380952.db2.gz SHGGGZVJIBYHJW-UHFFFAOYSA-N 0 1 382.551 3.335 20 0 GGADMN O=C(Nc1ccsc1Cl)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000188128498 565381476 /nfs/dbraw/zinc/38/14/76/565381476.db2.gz UPTZARWWIZSYTJ-UHFFFAOYSA-N 0 1 377.897 3.075 20 0 GGADMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)cn1 ZINC000274795920 565382013 /nfs/dbraw/zinc/38/20/13/565382013.db2.gz SWZRJLFZBXUHEA-LBPRGKRZSA-N 0 1 383.876 3.265 20 0 GGADMN Brc1cnc(CN[C@@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000274878919 565384378 /nfs/dbraw/zinc/38/43/78/565384378.db2.gz YNKWVMLALQTMBN-LLVKDONJSA-N 0 1 386.091 3.497 20 0 GGADMN O=S(=O)(Nc1ccc2nncn2c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188159159 565384843 /nfs/dbraw/zinc/38/48/43/565384843.db2.gz IPRFUZYWSULCMC-UHFFFAOYSA-N 0 1 376.747 3.202 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1Br ZINC000297775378 565385489 /nfs/dbraw/zinc/38/54/89/565385489.db2.gz AAILZEZAVPFTGO-JSGCOSHPSA-N 0 1 395.219 3.165 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Br ZINC000297775382 565385653 /nfs/dbraw/zinc/38/56/53/565385653.db2.gz AAILZEZAVPFTGO-TZMCWYRMSA-N 0 1 395.219 3.165 20 0 GGADMN O=C(Nc1cnns1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000188208357 565387908 /nfs/dbraw/zinc/38/79/08/565387908.db2.gz SOFZPWJNBKRYCZ-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2cc(F)cc(Cl)c2)cc1F ZINC000275002074 565388291 /nfs/dbraw/zinc/38/82/91/565388291.db2.gz NYARWMKOCUJLSM-UHFFFAOYSA-N 0 1 386.851 3.448 20 0 GGADMN C[C@H](NC(=O)N1CCOC[C@H]1c1nnc[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000297818514 565388270 /nfs/dbraw/zinc/38/82/70/565388270.db2.gz NKNBSNMRWJNASY-SDBXPKJASA-N 0 1 388.230 3.095 20 0 GGADMN CCOc1ccc(NC(=O)NCc2n[nH]c(C(C)C)n2)cc1Br ZINC000297852313 565389017 /nfs/dbraw/zinc/38/90/17/565389017.db2.gz OTRUQKYSLXKGEW-UHFFFAOYSA-N 0 1 382.262 3.411 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000297832652 565389380 /nfs/dbraw/zinc/38/93/80/565389380.db2.gz OFFIVIWXMPPKHF-CVEARBPZSA-N 0 1 381.929 3.379 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](CCC(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000170737284 565389739 /nfs/dbraw/zinc/38/97/39/565389739.db2.gz QQBOHLPPZXCFSO-CHWSQXEVSA-N 0 1 386.323 3.148 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000170776054 565391798 /nfs/dbraw/zinc/39/17/98/565391798.db2.gz WIJARHBUAHUOLU-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN Cc1csc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1I ZINC000188297365 565392941 /nfs/dbraw/zinc/39/29/41/565392941.db2.gz IPIHGEJIHVXFJP-VHSXEESVSA-N 0 1 390.290 3.016 20 0 GGADMN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H]1C[C@H](F)CN1 ZINC000188290692 565393030 /nfs/dbraw/zinc/39/30/30/565393030.db2.gz UDMKKOSIKCSABK-WCQYABFASA-N 0 1 384.274 3.135 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1nc(C2CC2)no1 ZINC000170787858 565393298 /nfs/dbraw/zinc/39/32/98/565393298.db2.gz QEMOQQPOCSZTTJ-ZDUSSCGKSA-N 0 1 375.372 3.040 20 0 GGADMN O=S(=O)(NC1CCN(CCc2ccccc2Cl)CC1)c1cccs1 ZINC000170835809 565394478 /nfs/dbraw/zinc/39/44/78/565394478.db2.gz SJGGFUKNIBTCMO-UHFFFAOYSA-N 0 1 384.954 3.387 20 0 GGADMN CCc1nc(CNC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000297992993 565395131 /nfs/dbraw/zinc/39/51/31/565395131.db2.gz NMFFMFQTJGTMNU-ZDUSSCGKSA-N 0 1 386.283 3.251 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(Cc3nc4ccc(Br)cc4n3C)C2)n1 ZINC000275169985 565395175 /nfs/dbraw/zinc/39/51/75/565395175.db2.gz VHGJMPUPNJLDFE-GFCCVEGCSA-N 0 1 389.301 3.142 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)n[nH]1 ZINC000298035031 565396184 /nfs/dbraw/zinc/39/61/84/565396184.db2.gz RBXBUBBAIDUFAM-CQSZACIVSA-N 0 1 393.289 3.036 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000298011355 565396329 /nfs/dbraw/zinc/39/63/29/565396329.db2.gz DWKVKHSNBUKYKA-XPTSAGLGSA-N 0 1 386.283 3.156 20 0 GGADMN Cc1cc(Br)c2c(c1)CN(C(=O)NCc1n[nH]c(C(C)C)n1)CC2 ZINC000298028223 565396584 /nfs/dbraw/zinc/39/65/84/565396584.db2.gz GJRNHSOUAQWAOA-UHFFFAOYSA-N 0 1 392.301 3.267 20 0 GGADMN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000275190200 565396733 /nfs/dbraw/zinc/39/67/33/565396733.db2.gz WRJMNIZYJZOGLM-QWRGUYRKSA-N 0 1 380.901 3.168 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000188373075 565397726 /nfs/dbraw/zinc/39/77/26/565397726.db2.gz MUSGWOLNOQZEFT-UHFFFAOYSA-N 0 1 376.503 3.410 20 0 GGADMN CCOc1ccc(Br)cc1CN(C[C@@H](O)Cn1cccn1)C1CC1 ZINC000170901183 565398684 /nfs/dbraw/zinc/39/86/84/565398684.db2.gz IUQUFSQTPBRESF-QGZVFWFLSA-N 0 1 394.313 3.070 20 0 GGADMN COc1cc(OC)c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000275243022 565398945 /nfs/dbraw/zinc/39/89/45/565398945.db2.gz NQYXWKWLBYGMDN-LLVKDONJSA-N 0 1 395.257 3.389 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1 ZINC000170933120 565399409 /nfs/dbraw/zinc/39/94/09/565399409.db2.gz HOAIUESEPDIHKV-UHFFFAOYSA-N 0 1 375.368 3.238 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](C)c2ccc(Br)cc2F)n[nH]1 ZINC000298136185 565400767 /nfs/dbraw/zinc/40/07/67/565400767.db2.gz ZAPBMYIDBHSSSC-SECBINFHSA-N 0 1 384.253 3.390 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCN1 ZINC000188441281 565400975 /nfs/dbraw/zinc/40/09/75/565400975.db2.gz IJTZALOJZSZGRJ-GFCCVEGCSA-N 0 1 376.254 3.070 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1F ZINC000298151878 565401618 /nfs/dbraw/zinc/40/16/18/565401618.db2.gz ZZJISBUAQVRYOY-QMMMGPOBSA-N 0 1 382.237 3.144 20 0 GGADMN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc(OCC(F)F)cc1 ZINC000375718344 565402023 /nfs/dbraw/zinc/40/20/23/565402023.db2.gz SCVLSMURFXAOPI-UHFFFAOYSA-N 0 1 392.474 3.377 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CCN1 ZINC000188454392 565402271 /nfs/dbraw/zinc/40/22/71/565402271.db2.gz DZNCOWZBAXPDCA-GFCCVEGCSA-N 0 1 376.254 3.070 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000298200359 565404142 /nfs/dbraw/zinc/40/41/42/565404142.db2.gz TWMVHSACICLVMB-AWEZNQCLSA-N 0 1 377.901 3.412 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC000188497541 565404319 /nfs/dbraw/zinc/40/43/19/565404319.db2.gz YPNCKASZHJAMDD-UHFFFAOYSA-N 0 1 376.463 3.152 20 0 GGADMN O=C(Nc1cccc(Br)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000188492188 565404598 /nfs/dbraw/zinc/40/45/98/565404598.db2.gz IYXNJJULJLQAIP-NSHDSACASA-N 0 1 391.273 3.251 20 0 GGADMN C[C@@]1(CNCc2ncc(I)s2)CCO[C@@H]1C1CC1 ZINC000375769093 565405589 /nfs/dbraw/zinc/40/55/89/565405589.db2.gz PJHKMFGDMMJKRY-OLZOCXBDSA-N 0 1 378.279 3.043 20 0 GGADMN Ic1cnc(CN[C@H]2CCOC3(CCCC3)C2)s1 ZINC000375800538 565406206 /nfs/dbraw/zinc/40/62/06/565406206.db2.gz BLTQCQFGANOZEI-JTQLQIEISA-N 0 1 378.279 3.329 20 0 GGADMN COc1ccc(Br)cc1CN1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375823254 565407801 /nfs/dbraw/zinc/40/78/01/565407801.db2.gz JJUIYFZXDPHDGX-DLBZAZTESA-N 0 1 394.313 3.279 20 0 GGADMN CC1(C)CN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1O ZINC000275401828 565408509 /nfs/dbraw/zinc/40/85/09/565408509.db2.gz DXICZWKNWUROBQ-MRXNPFEDSA-N 0 1 376.298 3.499 20 0 GGADMN CC(C)[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000298375653 565410630 /nfs/dbraw/zinc/41/06/30/565410630.db2.gz GBQITAKMWVEPAA-GFCCVEGCSA-N 0 1 382.507 3.371 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000298392822 565412226 /nfs/dbraw/zinc/41/22/26/565412226.db2.gz LBVDAXWCVVRTCH-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN COc1cc(Br)c(CN2CCC[C@H](C3OCCO3)C2)cc1OC ZINC000171144226 565412548 /nfs/dbraw/zinc/41/25/48/565412548.db2.gz ICPQXZYGRXDARP-LBPRGKRZSA-N 0 1 386.286 3.051 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c(Br)c1 ZINC000298414583 565412625 /nfs/dbraw/zinc/41/26/25/565412625.db2.gz XMPOQDJCXDXZOU-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(I)cc2)CC1 ZINC000375933568 565414059 /nfs/dbraw/zinc/41/40/59/565414059.db2.gz KCTHOHWLJGJQNQ-UHFFFAOYSA-N 0 1 395.244 3.343 20 0 GGADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccco1 ZINC000188635209 565414493 /nfs/dbraw/zinc/41/44/93/565414493.db2.gz XFGHUFGJSNZHFD-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN C[C@H]1CN(C(=O)CCCc2ccccc2Br)CCN1CC(C)(C)O ZINC000188638737 565415795 /nfs/dbraw/zinc/41/57/95/565415795.db2.gz QGGFDBNGEVERQM-HNNXBMFYSA-N 0 1 397.357 3.075 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCN1CC(C)(C)O ZINC000188655030 565415825 /nfs/dbraw/zinc/41/58/25/565415825.db2.gz QCKUQJLCKMMCNM-DAXOMENPSA-N 0 1 385.335 3.401 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298487177 565416632 /nfs/dbraw/zinc/41/66/32/565416632.db2.gz TVLIVQRGCVGOTK-MRXNPFEDSA-N 0 1 392.359 3.019 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@H]1SC ZINC000298528194 565417507 /nfs/dbraw/zinc/41/75/07/565417507.db2.gz RZJVTZHJJRHWQH-DMDPSCGWSA-N 0 1 394.850 3.400 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@H]1SC ZINC000298528204 565417539 /nfs/dbraw/zinc/41/75/39/565417539.db2.gz RZJVTZHJJRHWQH-NQBHXWOUSA-N 0 1 394.850 3.400 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CCN1CC(C)(C)O ZINC000188688449 565417958 /nfs/dbraw/zinc/41/79/58/565417958.db2.gz IDECGZHJDRMARV-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN CC[C@]1(C)CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCO1 ZINC000188701666 565418239 /nfs/dbraw/zinc/41/82/39/565418239.db2.gz BQQWOORZDJSWST-QGZVFWFLSA-N 0 1 378.270 3.480 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000188713941 565419437 /nfs/dbraw/zinc/41/94/37/565419437.db2.gz LHIKFLGAGYFRCH-AWEZNQCLSA-N 0 1 380.491 3.019 20 0 GGADMN Oc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1F ZINC000188741524 565420568 /nfs/dbraw/zinc/42/05/68/565420568.db2.gz GCFJWEYEYNCPGD-UHFFFAOYSA-N 0 1 395.272 3.420 20 0 GGADMN O=C(CN(CCO)C1CCOCC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000275619848 565420590 /nfs/dbraw/zinc/42/05/90/565420590.db2.gz UDJCPGKCECGODP-UHFFFAOYSA-N 0 1 381.687 3.059 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCN1CC(C)(C)O ZINC000188743865 565420871 /nfs/dbraw/zinc/42/08/71/565420871.db2.gz FNGJJHCHMYUMAP-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN COc1ccc(Br)c(CN(C)C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000376100976 565421767 /nfs/dbraw/zinc/42/17/67/565421767.db2.gz WLGNIKDOCUFZDJ-OAHLLOKOSA-N 0 1 393.285 3.400 20 0 GGADMN O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1(c2nnc[nH]2)CCC1 ZINC000188759380 565422198 /nfs/dbraw/zinc/42/21/98/565422198.db2.gz HIAIRTPNVJGKCH-UHFFFAOYSA-N 0 1 375.643 3.339 20 0 GGADMN CC(C)(C)n1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cn1 ZINC000171264201 565422681 /nfs/dbraw/zinc/42/26/81/565422681.db2.gz OOOMVYNPEJXMCR-UHFFFAOYSA-N 0 1 394.241 3.480 20 0 GGADMN C[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000298664727 565424874 /nfs/dbraw/zinc/42/48/74/565424874.db2.gz YDRNZGFMQXGZTM-LLVKDONJSA-N 0 1 392.253 3.252 20 0 GGADMN CC(C)[C@@H](NCCC(=O)Nc1ccc(Br)cc1F)c1nncn1C ZINC000298672696 565425399 /nfs/dbraw/zinc/42/53/99/565425399.db2.gz YOBMPCRKIPPQBY-OAHLLOKOSA-N 0 1 398.280 3.032 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000275758805 565425606 /nfs/dbraw/zinc/42/56/06/565425606.db2.gz OLELATMCHQJYGD-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Br)cn1 ZINC000171356058 565428431 /nfs/dbraw/zinc/42/84/31/565428431.db2.gz CIEIHWASSKNQRP-CQSZACIVSA-N 0 1 380.311 3.473 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000275820331 565428403 /nfs/dbraw/zinc/42/84/03/565428403.db2.gz WSOWFIXYSCHNLZ-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1ccc(Br)cc1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000275847416 565429377 /nfs/dbraw/zinc/42/93/77/565429377.db2.gz HTXFLIHECZAXEY-GFCCVEGCSA-N 0 1 383.311 3.256 20 0 GGADMN CCn1cc(CNc2ccc(CN3CCN(C)CC3)c(Br)c2)cn1 ZINC000188884526 565430287 /nfs/dbraw/zinc/43/02/87/565430287.db2.gz DDSWNPWFZRYLED-UHFFFAOYSA-N 0 1 392.345 3.025 20 0 GGADMN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000275911414 565431565 /nfs/dbraw/zinc/43/15/65/565431565.db2.gz LJJRVGMZDPTEMD-INIZCTEOSA-N 0 1 383.564 3.109 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2ccccc2C)cc1OC ZINC000188923188 565433286 /nfs/dbraw/zinc/43/32/86/565433286.db2.gz OTKFRXPELPANEX-INIZCTEOSA-N 0 1 394.309 3.468 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Br)s1 ZINC000298923017 565434440 /nfs/dbraw/zinc/43/44/40/565434440.db2.gz CKUPUWVOAOBVKZ-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN CCOC(=O)CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)C(C)C ZINC000171496619 565434599 /nfs/dbraw/zinc/43/45/99/565434599.db2.gz IGCLVGIDKBECDC-UHFFFAOYSA-N 0 1 394.269 3.253 20 0 GGADMN COc1cc(Br)c(NC(=O)N2CCN(C(C)C)CC2)cc1OC ZINC000299078466 565438695 /nfs/dbraw/zinc/43/86/95/565438695.db2.gz DYFIRWFFMBBPRV-UHFFFAOYSA-N 0 1 386.290 3.024 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000376518753 565439877 /nfs/dbraw/zinc/43/98/77/565439877.db2.gz OBJWXBKEXOMTTK-CMPLNLGQSA-N 0 1 377.290 3.175 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000376518753 565439883 /nfs/dbraw/zinc/43/98/83/565439883.db2.gz OBJWXBKEXOMTTK-CMPLNLGQSA-N 0 1 377.290 3.175 20 0 GGADMN COCCN(Cc1cccnc1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189065530 565441052 /nfs/dbraw/zinc/44/10/52/565441052.db2.gz FLAMPUDOYJGWMZ-UHFFFAOYSA-N 0 1 376.869 3.475 20 0 GGADMN CSCC[C@@H](NCCOCC(F)(F)C(F)F)c1nnc2ccccn21 ZINC000276233498 565441650 /nfs/dbraw/zinc/44/16/50/565441650.db2.gz NPPOLCCBTIKXRA-LLVKDONJSA-N 0 1 380.411 3.030 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)Cn2cc(Br)cn2)[nH]1 ZINC000299163622 565442484 /nfs/dbraw/zinc/44/24/84/565442484.db2.gz TYIUWRVLXCYMIH-UHFFFAOYSA-N 0 1 389.257 3.193 20 0 GGADMN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2csc(-c3ccsc3)n2)C1 ZINC000299160154 565442787 /nfs/dbraw/zinc/44/27/87/565442787.db2.gz KNEYQRXXRKLXHQ-ZIAGYGMSSA-N 0 1 379.551 3.235 20 0 GGADMN CN(CCC(=O)N1CCc2ccccc2C1)Cc1cc(Br)cn1C ZINC000189081118 565442839 /nfs/dbraw/zinc/44/28/39/565442839.db2.gz NWYSRRHVRZLPRB-UHFFFAOYSA-N 0 1 390.325 3.194 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000299286905 565446280 /nfs/dbraw/zinc/44/62/80/565446280.db2.gz YTQAGIGRRWMDSB-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN CN(C)C1CN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000276344274 565446300 /nfs/dbraw/zinc/44/63/00/565446300.db2.gz IZRYHAMLARNUTI-UHFFFAOYSA-N 0 1 383.279 3.139 20 0 GGADMN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000276393392 565447127 /nfs/dbraw/zinc/44/71/27/565447127.db2.gz VDNIJSWEVMHYKW-SNVBAGLBSA-N 0 1 384.889 3.301 20 0 GGADMN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000276393391 565447578 /nfs/dbraw/zinc/44/75/78/565447578.db2.gz VDNIJSWEVMHYKW-JTQLQIEISA-N 0 1 384.889 3.301 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189155978 565448392 /nfs/dbraw/zinc/44/83/92/565448392.db2.gz IUJSGTLGAMPREX-GOSISDBHSA-N 0 1 395.341 3.299 20 0 GGADMN C[C@H]1C[C@@H](NCc2ccc(S(=O)(=O)CCO)cc2)c2ccsc2S1 ZINC000189164549 565449422 /nfs/dbraw/zinc/44/94/22/565449422.db2.gz ZPVHGQXYHXMZLL-BLLLJJGKSA-N 0 1 383.560 3.229 20 0 GGADMN CN(C)CC[NH+]1CCC(NC(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000299480137 565451581 /nfs/dbraw/zinc/45/15/81/565451581.db2.gz YLWCCKXQIZPHCP-UHFFFAOYSA-N 0 1 387.355 3.161 20 0 GGADMN O=C(NCCOc1cccc(Br)c1)c1n[nH]nc1-c1ccccc1 ZINC000189205077 565451613 /nfs/dbraw/zinc/45/16/13/565451613.db2.gz GMAHQUXCOWVYQY-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000376751162 565453073 /nfs/dbraw/zinc/45/30/73/565453073.db2.gz OCFUUIFIXDRFMD-ZXYWRSMDSA-N 0 1 386.293 3.050 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@H]3CCOCO3)n2)cc1Br ZINC000276550910 565453321 /nfs/dbraw/zinc/45/33/21/565453321.db2.gz FKVNGGAHJCMAHM-SNVBAGLBSA-N 0 1 386.271 3.098 20 0 GGADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000376751160 565453362 /nfs/dbraw/zinc/45/33/62/565453362.db2.gz OCFUUIFIXDRFMD-MUKKUYKPSA-N 0 1 386.293 3.050 20 0 GGADMN O=C(NCCc1ccc(Br)s1)c1n[nH]nc1-c1ccccc1 ZINC000189246483 565453868 /nfs/dbraw/zinc/45/38/68/565453868.db2.gz NQCYJTCXWRUJFO-UHFFFAOYSA-N 0 1 377.267 3.268 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)c(C)c1 ZINC000189259986 565454702 /nfs/dbraw/zinc/45/47/02/565454702.db2.gz ZXANPTGXOPFTID-UHFFFAOYSA-N 0 1 395.282 3.218 20 0 GGADMN CCOC(=O)NCC(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC000171879912 565454897 /nfs/dbraw/zinc/45/48/97/565454897.db2.gz NSMOYFFQAUKGOY-UHFFFAOYSA-N 0 1 395.257 3.086 20 0 GGADMN CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)CC(F)(F)F ZINC000171858983 565454997 /nfs/dbraw/zinc/45/49/97/565454997.db2.gz DOXSWUTVTIGKJE-OAHLLOKOSA-N 0 1 377.838 3.087 20 0 GGADMN CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)CC(F)(F)F ZINC000171858979 565455535 /nfs/dbraw/zinc/45/55/35/565455535.db2.gz DOXSWUTVTIGKJE-HNNXBMFYSA-N 0 1 377.838 3.087 20 0 GGADMN CCc1c(NC(=O)CCn2ccnn2)[nH]nc1-c1ccc(Br)cc1 ZINC000171888950 565456479 /nfs/dbraw/zinc/45/64/79/565456479.db2.gz XBSXKWFRHSGSME-UHFFFAOYSA-N 0 1 389.257 3.022 20 0 GGADMN C[C@H](O)CN1CCN(Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000189290801 565457012 /nfs/dbraw/zinc/45/70/12/565457012.db2.gz RIHXKLUOFBBTSO-ZDUSSCGKSA-N 0 1 396.354 3.071 20 0 GGADMN O=C1[C@@H](NC2(c3ccc(Br)cc3)CC2)CCN1CC(F)(F)F ZINC000171922438 565458176 /nfs/dbraw/zinc/45/81/76/565458176.db2.gz XPJNSRBUOVSTDQ-LBPRGKRZSA-N 0 1 377.204 3.191 20 0 GGADMN C[C@@H](C1CC1)n1cc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cn1 ZINC000189336320 565459219 /nfs/dbraw/zinc/45/92/19/565459219.db2.gz CASZXRDCGKGNGN-JTQLQIEISA-N 0 1 382.873 3.131 20 0 GGADMN O=C(CCN1CCC(O)(C(F)(F)F)CC1)Nc1cccc(Br)c1 ZINC000299726744 565459952 /nfs/dbraw/zinc/45/99/52/565459952.db2.gz UYKLRGSNACHLAH-UHFFFAOYSA-N 0 1 395.219 3.167 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccccc1Br ZINC000171975370 565460688 /nfs/dbraw/zinc/46/06/88/565460688.db2.gz CCYHQIDYMXYBJG-ZDUSSCGKSA-N 0 1 383.311 3.078 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000276787547 565461166 /nfs/dbraw/zinc/46/11/66/565461166.db2.gz BDBZRPQDGLNVFN-IUCAKERBSA-N 0 1 384.267 3.441 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(N(C)C)c1 ZINC000189390607 565463057 /nfs/dbraw/zinc/46/30/57/565463057.db2.gz NSRLXSSUTRNDRE-UHFFFAOYSA-N 0 1 386.832 3.133 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000189430036 565464939 /nfs/dbraw/zinc/46/49/39/565464939.db2.gz YDVNVEGDTFVGOJ-UHFFFAOYSA-N 0 1 389.257 3.047 20 0 GGADMN COCC[C@@](C)(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000172071103 565465232 /nfs/dbraw/zinc/46/52/32/565465232.db2.gz MWNDLMSOQHEHJX-MRXNPFEDSA-N 0 1 385.327 3.450 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276887777 565465693 /nfs/dbraw/zinc/46/56/93/565465693.db2.gz NFOWSPULSFIMQC-YUMQZZPRSA-N 0 1 376.408 3.354 20 0 GGADMN O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cccc(Cl)c1O ZINC000172110077 565465853 /nfs/dbraw/zinc/46/58/53/565465853.db2.gz SDBCGXHCOATXBY-UHFFFAOYSA-N 0 1 389.260 3.006 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000189456917 565466253 /nfs/dbraw/zinc/46/62/53/565466253.db2.gz XPRSZJIJKBJPKN-UHFFFAOYSA-N 0 1 380.239 3.020 20 0 GGADMN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172110090 565466301 /nfs/dbraw/zinc/46/63/01/565466301.db2.gz RDLUFSKREACDPS-NSHDSACASA-N 0 1 382.869 3.375 20 0 GGADMN COC(CN1CCC(c2nc(-c3ccccc3Br)no2)CC1)OC ZINC000276912069 565466558 /nfs/dbraw/zinc/46/65/58/565466558.db2.gz QJEZBLZVSVYABP-UHFFFAOYSA-N 0 1 396.285 3.297 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000172121917 565467322 /nfs/dbraw/zinc/46/73/22/565467322.db2.gz PZYKBDGBACEKDV-AWEZNQCLSA-N 0 1 375.519 3.124 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000189468725 565467287 /nfs/dbraw/zinc/46/72/87/565467287.db2.gz MRNJVSNHIALOPZ-UHFFFAOYSA-N 0 1 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CO[C@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000378640743 565537538 /nfs/dbraw/zinc/53/75/38/565537538.db2.gz WQQIKGIKHLGNSA-AWEZNQCLSA-N 0 1 378.270 3.480 20 0 GGADMN CN(CCn1cccn1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190508529 565537940 /nfs/dbraw/zinc/53/79/40/565537940.db2.gz OTHOBVPWSCJQDS-INIZCTEOSA-N 0 1 394.313 3.335 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H](C)C(=O)N2CCCC2)cc1OC ZINC000378883416 565538074 /nfs/dbraw/zinc/53/80/74/565538074.db2.gz JDYUIFHVPJTFGR-ZDUSSCGKSA-N 0 1 399.329 3.347 20 0 GGADMN CN(CC(C)(C)CN1CCOCC1)c1ccnc2cc(Br)cnc21 ZINC000302245880 565538604 /nfs/dbraw/zinc/53/86/04/565538604.db2.gz SLZJMOZEAKFVHB-UHFFFAOYSA-N 0 1 393.329 3.187 20 0 GGADMN C[C@H](O)CN1CCN(c2ccc3c(Br)ccc(Cl)c3n2)CC1 ZINC000302377853 565539376 /nfs/dbraw/zinc/53/93/76/565539376.db2.gz GEBPWZNVBJDPDX-NSHDSACASA-N 0 1 384.705 3.154 20 0 GGADMN COc1cc(Br)c(CNCCOCC(F)(F)C(F)F)cc1O ZINC000278121765 565540798 /nfs/dbraw/zinc/54/07/98/565540798.db2.gz BCMDFNBWYHFFMS-UHFFFAOYSA-N 0 1 390.171 3.170 20 0 GGADMN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CCN1CC(C)(C)O ZINC000302511862 565543148 /nfs/dbraw/zinc/54/31/48/565543148.db2.gz SYIPIBPQLAAPMA-ZDUSSCGKSA-N 0 1 380.945 3.064 20 0 GGADMN C[C@@H]1CN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CCN1CC(C)(C)O ZINC000302505592 565543456 /nfs/dbraw/zinc/54/34/56/565543456.db2.gz QGXBVTNYOVOMEK-LLVKDONJSA-N 0 1 385.295 3.325 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000385826120 565546792 /nfs/dbraw/zinc/54/67/92/565546792.db2.gz VTRSHPLCARQEFS-JTQLQIEISA-N 0 1 389.677 3.228 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000385826120 565546794 /nfs/dbraw/zinc/54/67/94/565546794.db2.gz VTRSHPLCARQEFS-JTQLQIEISA-N 0 1 389.677 3.228 20 0 GGADMN CN(Cc1csc(Br)c1)C[C@H](O)COc1ccccc1C#N ZINC000386796387 565549126 /nfs/dbraw/zinc/54/91/26/565549126.db2.gz MXYIVDKQINAPEG-AWEZNQCLSA-N 0 1 381.295 3.254 20 0 GGADMN COc1c(Br)cc(CNCc2cncn2C)cc1Br ZINC000388359284 565550125 /nfs/dbraw/zinc/55/01/25/565550125.db2.gz RTRKKWIRTZOKMF-UHFFFAOYSA-N 0 1 389.091 3.244 20 0 GGADMN O=S(=O)(Nc1n[nH]cc1Br)c1ccc(Cl)c(F)c1Cl ZINC000388303210 565550256 /nfs/dbraw/zinc/55/02/56/565550256.db2.gz FWJNIIVPUAQWPH-UHFFFAOYSA-N 0 1 389.033 3.419 20 0 GGADMN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1Br ZINC000388085926 565550278 /nfs/dbraw/zinc/55/02/78/565550278.db2.gz SHZWJYRADZXCTG-CQSZACIVSA-N 0 1 387.343 3.006 20 0 GGADMN COc1ccc(CNC(=O)CN[C@@H](C)c2cccc(Br)c2)cc1 ZINC000173352683 565551318 /nfs/dbraw/zinc/55/13/18/565551318.db2.gz NNZPCYDZMDMTKR-ZDUSSCGKSA-N 0 1 377.282 3.425 20 0 GGADMN COc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000173358049 565551575 /nfs/dbraw/zinc/55/15/75/565551575.db2.gz PHNRLHLVZRPNBZ-CYBMUJFWSA-N 0 1 383.897 3.482 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278361307 565553261 /nfs/dbraw/zinc/55/32/61/565553261.db2.gz FFGGHEDIYOVUPB-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278361307 565553267 /nfs/dbraw/zinc/55/32/67/565553267.db2.gz FFGGHEDIYOVUPB-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN COc1ccnc(N2CCN(c3ncc(Br)cc3Cl)CC2)c1 ZINC000302729832 565553534 /nfs/dbraw/zinc/55/35/34/565553534.db2.gz LLERHPJEJZNTOU-UHFFFAOYSA-N 0 1 383.677 3.228 20 0 GGADMN CC(C)CN1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000302755711 565554477 /nfs/dbraw/zinc/55/44/77/565554477.db2.gz PREGNOYXEDILNR-UHFFFAOYSA-N 0 1 379.302 3.273 20 0 GGADMN Cc1csc(C(C)(C)NC[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000173425248 565556124 /nfs/dbraw/zinc/55/61/24/565556124.db2.gz SJJOSOUWTPEXGK-CYBMUJFWSA-N 0 1 385.327 3.479 20 0 GGADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000390382150 565556170 /nfs/dbraw/zinc/55/61/70/565556170.db2.gz VOXRMWJXGOEQEX-UHFFFAOYSA-N 0 1 398.655 3.347 20 0 GGADMN OCCn1ncc2c1CCC[C@@H]2N[C@@H]1CCc2sc(Br)cc21 ZINC000390713276 565557352 /nfs/dbraw/zinc/55/73/52/565557352.db2.gz IOVRCORUESQBAZ-QWHCGFSZSA-N 0 1 382.327 3.354 20 0 GGADMN COCCO[C@@H]1C[C@@H](CO)CN([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000278424250 565557619 /nfs/dbraw/zinc/55/76/19/565557619.db2.gz ZRHLAMICNYMDNL-BJZITVGISA-N 0 1 398.341 3.172 20 0 GGADMN Ic1cnc(CN[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000390703901 565557988 /nfs/dbraw/zinc/55/79/88/565557988.db2.gz AWBKNUVITQFUAE-CYBMUJFWSA-N 0 1 399.301 3.112 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCOc1cccc(Br)c1 ZINC000390548327 565558101 /nfs/dbraw/zinc/55/81/01/565558101.db2.gz JHXIGEUAKPJZHF-QGZVFWFLSA-N 0 1 376.250 3.339 20 0 GGADMN COc1ccc(Br)c(CNCCn2cc(Br)cn2)c1 ZINC000394033493 565570190 /nfs/dbraw/zinc/57/01/90/565570190.db2.gz RQNORNZQJKGQJL-UHFFFAOYSA-N 0 1 389.091 3.207 20 0 GGADMN CSC[C@H](O)CN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190791524 565559529 /nfs/dbraw/zinc/55/95/29/565559529.db2.gz CUWXMWIHIGVOHT-BXUZGUMPSA-N 0 1 398.326 3.360 20 0 GGADMN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cccc(Cl)c1O ZINC000173473961 565559741 /nfs/dbraw/zinc/55/97/41/565559741.db2.gz VDFFEVPMVQSQAH-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN Brc1ccccc1-c1noc([C@H]2CCCN2CCC2OCCO2)n1 ZINC000190794674 565559777 /nfs/dbraw/zinc/55/97/77/565559777.db2.gz DJJQTTNGMOYRRB-CQSZACIVSA-N 0 1 394.269 3.399 20 0 GGADMN NC(=O)[C@H](NCCc1ccccc1OC(F)F)c1ccc(Br)cc1 ZINC000190827785 565561763 /nfs/dbraw/zinc/56/17/63/565561763.db2.gz FVLQGJVKCXOQAZ-OAHLLOKOSA-N 0 1 399.235 3.409 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000391879747 565562531 /nfs/dbraw/zinc/56/25/31/565562531.db2.gz SFYFNBCMRHLTEW-INIZCTEOSA-N 0 1 398.345 3.158 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000392098908 565562737 /nfs/dbraw/zinc/56/27/37/565562737.db2.gz YDDZUZSEZQYDRS-OAHLLOKOSA-N 0 1 397.313 3.127 20 0 GGADMN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000391993718 565562998 /nfs/dbraw/zinc/56/29/98/565562998.db2.gz IGPVWPVYVYJPMZ-UHFFFAOYSA-N 0 1 381.807 3.301 20 0 GGADMN O=C1[C@H](Sc2nc(C3CC3)n[nH]2)CCN1c1cccc(Br)c1 ZINC000190833311 565562987 /nfs/dbraw/zinc/56/29/87/565562987.db2.gz XCOBKEDYMZWFHT-GFCCVEGCSA-N 0 1 379.283 3.342 20 0 GGADMN O=C1[C@H](Sc2n[nH]c(C3CC3)n2)CCN1c1cccc(Br)c1 ZINC000190833311 565562990 /nfs/dbraw/zinc/56/29/90/565562990.db2.gz XCOBKEDYMZWFHT-GFCCVEGCSA-N 0 1 379.283 3.342 20 0 GGADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000392278731 565564607 /nfs/dbraw/zinc/56/46/07/565564607.db2.gz FIKZUWAXNTYCGG-QGZVFWFLSA-N 0 1 394.269 3.432 20 0 GGADMN CC(C)(C)n1cc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000190848428 565564657 /nfs/dbraw/zinc/56/46/57/565564657.db2.gz SDCKQTVKMAXIBV-CQSZACIVSA-N 0 1 392.345 3.412 20 0 GGADMN CC(C)(C)C[C@@H](CO)NCc1c(Br)cncc1Br ZINC000394525820 565571029 /nfs/dbraw/zinc/57/10/29/565571029.db2.gz KWOHQFBRKCIKGX-VIFPVBQESA-N 0 1 380.124 3.493 20 0 GGADMN Cc1csc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000190869456 565565709 /nfs/dbraw/zinc/56/57/09/565565709.db2.gz ORJMDCCMNMBZGG-VXGBXAGGSA-N 0 1 375.332 3.048 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000392584287 565565885 /nfs/dbraw/zinc/56/58/85/565565885.db2.gz OFTKXKXFBSJWTE-GFCCVEGCSA-N 0 1 388.898 3.259 20 0 GGADMN O=C(NCCN1CC=CCC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000392789013 565567242 /nfs/dbraw/zinc/56/72/42/565567242.db2.gz CRAWWLRRTCWSCU-UHFFFAOYSA-N 0 1 377.204 3.460 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)c1C ZINC000278585043 565567185 /nfs/dbraw/zinc/56/71/85/565567185.db2.gz DRDCWCNBYUWMLP-UHFFFAOYSA-N 0 1 382.873 3.294 20 0 GGADMN CCN(C)c1ccc(CNCc2cc3c(c(Br)c2)OCO3)cn1 ZINC000190875060 565567377 /nfs/dbraw/zinc/56/73/77/565567377.db2.gz CTSOJUWZBPTYOH-UHFFFAOYSA-N 0 1 378.270 3.319 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ncc(Br)cc1F ZINC000278584872 565567442 /nfs/dbraw/zinc/56/74/42/565567442.db2.gz YLXQMFHKEQVZKJ-DGCLKSJQSA-N 0 1 382.281 3.036 20 0 GGADMN CC(C)N(C)c1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000190889126 565568100 /nfs/dbraw/zinc/56/81/00/565568100.db2.gz YFDMNBKRAJLYKP-UHFFFAOYSA-N 0 1 381.929 3.143 20 0 GGADMN CC(C)(C)C[C@@H](CO)NCc1ncc(Br)cc1Br ZINC000393539315 565568388 /nfs/dbraw/zinc/56/83/88/565568388.db2.gz CPSVWMHPFSGZSC-JTQLQIEISA-N 0 1 380.124 3.493 20 0 GGADMN CC(C)(C)C[C@H](CO)NCc1ncc(Br)cc1Br ZINC000393539316 565568467 /nfs/dbraw/zinc/56/84/67/565568467.db2.gz CPSVWMHPFSGZSC-SNVBAGLBSA-N 0 1 380.124 3.493 20 0 GGADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000393801835 565569893 /nfs/dbraw/zinc/56/98/93/565569893.db2.gz MLZODSIVVRSHPR-HNNXBMFYSA-N 0 1 375.266 3.159 20 0 GGADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000393801835 565569895 /nfs/dbraw/zinc/56/98/95/565569895.db2.gz MLZODSIVVRSHPR-HNNXBMFYSA-N 0 1 375.266 3.159 20 0 GGADMN O[C@H]1CCC[C@@H](CNCc2c(Br)cncc2Br)C1 ZINC000394512944 565571449 /nfs/dbraw/zinc/57/14/49/565571449.db2.gz CDDIWUAEOFLJSU-ZJUUUORDSA-N 0 1 378.108 3.247 20 0 GGADMN CCC(CC)[C@H](O)CNCc1c(Br)cncc1Br ZINC000394570026 565570815 /nfs/dbraw/zinc/57/08/15/565570815.db2.gz NIJDTKJDRADPKA-CYBMUJFWSA-N 0 1 380.124 3.493 20 0 GGADMN COC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000303580576 565570810 /nfs/dbraw/zinc/57/08/10/565570810.db2.gz QXZJSOZRRWSTML-NXEZZACHSA-N 0 1 380.794 3.427 20 0 GGADMN COCCOCCCCNCc1c(Br)cncc1Br ZINC000394543436 565571100 /nfs/dbraw/zinc/57/11/00/565571100.db2.gz XYFRIBFZHWFSSD-UHFFFAOYSA-N 0 1 396.123 3.139 20 0 GGADMN OC[C@@H]1CCCC[C@H]1NCc1c(Br)cncc1Br ZINC000394532236 565571135 /nfs/dbraw/zinc/57/11/35/565571135.db2.gz PIOOAEBGABHYMH-TVQRCGJNSA-N 0 1 378.108 3.247 20 0 GGADMN OC[C@H]1CCCC[C@@H]1NCc1c(Br)cncc1Br ZINC000394532235 565571144 /nfs/dbraw/zinc/57/11/44/565571144.db2.gz PIOOAEBGABHYMH-RNCFNFMXSA-N 0 1 378.108 3.247 20 0 GGADMN COC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000303580579 565571378 /nfs/dbraw/zinc/57/13/78/565571378.db2.gz QXZJSOZRRWSTML-ZJUUUORDSA-N 0 1 380.794 3.427 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)NCc1ccc(Cl)s1 ZINC000303518058 565571620 /nfs/dbraw/zinc/57/16/20/565571620.db2.gz YJFZXMZLLRMNBP-OAHLLOKOSA-N 0 1 377.941 3.224 20 0 GGADMN CC(C)(C)NC(=O)CNCc1cc(Br)cc(Br)c1 ZINC000394659598 565572130 /nfs/dbraw/zinc/57/21/30/565572130.db2.gz XGMWFKLMNNNFGJ-UHFFFAOYSA-N 0 1 378.108 3.216 20 0 GGADMN COc1ccc([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)cc1Br ZINC000173654612 565572825 /nfs/dbraw/zinc/57/28/25/565572825.db2.gz WVQKCMWSQXZFSW-IUCAKERBSA-N 0 1 383.208 3.175 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000303715815 565573346 /nfs/dbraw/zinc/57/33/46/565573346.db2.gz AAKKKLIONCFIRS-DOMZBBRYSA-N 0 1 387.293 3.154 20 0 GGADMN Brc1ccc(NCCCN2CCN(c3ccccc3)CC2)nc1 ZINC000303793180 565573493 /nfs/dbraw/zinc/57/34/93/565573493.db2.gz IJBVHPBPGUCZJB-UHFFFAOYSA-N 0 1 375.314 3.468 20 0 GGADMN C[C@@H]1C[N@@H+](CCCNC(=O)CSc2nc3ccccc3s2)CCCO1 ZINC000278713016 565573889 /nfs/dbraw/zinc/57/38/89/565573889.db2.gz VSOUGUPPWRZGPF-CQSZACIVSA-N 0 1 379.551 3.006 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375237 565573835 /nfs/dbraw/zinc/57/38/35/565573835.db2.gz PIXZVDUWWIQTTM-CZUORRHYSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375237 565573837 /nfs/dbraw/zinc/57/38/37/565573837.db2.gz PIXZVDUWWIQTTM-CZUORRHYSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000397092256 565574770 /nfs/dbraw/zinc/57/47/70/565574770.db2.gz WOSHRCHJZHRHNP-ZYHUDNBSSA-N 0 1 380.242 3.184 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000397092254 565575010 /nfs/dbraw/zinc/57/50/10/565575010.db2.gz WOSHRCHJZHRHNP-JQWIXIFHSA-N 0 1 380.242 3.184 20 0 GGADMN C[C@H]1CN(C(=O)CN(C)CC2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000303917496 565575005 /nfs/dbraw/zinc/57/50/05/565575005.db2.gz SVOAVFLRRKQPBQ-GJZGRUSLSA-N 0 1 395.341 3.048 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000397092253 565575073 /nfs/dbraw/zinc/57/50/73/565575073.db2.gz WOSHRCHJZHRHNP-CMPLNLGQSA-N 0 1 380.242 3.184 20 0 GGADMN O=C(Nc1cc(Br)ccn1)NC1CCN(Cc2ccncc2)CC1 ZINC000278746219 565575177 /nfs/dbraw/zinc/57/51/77/565575177.db2.gz WTCQXFMDRMCBKJ-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1(CO)CCOCC1 ZINC000190998513 565576338 /nfs/dbraw/zinc/57/63/38/565576338.db2.gz DTMSKJRHUJYCJL-UHFFFAOYSA-N 0 1 381.687 3.059 20 0 GGADMN CN(Cc1ncc(-c2ccc(Br)cc2)o1)C1(CO)CCOCC1 ZINC000191007086 565577542 /nfs/dbraw/zinc/57/75/42/565577542.db2.gz MGIIBBUYNMRRQJ-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000191029685 565577942 /nfs/dbraw/zinc/57/79/42/565577942.db2.gz MSOOLBJITQMGBG-INIZCTEOSA-N 0 1 392.359 3.019 20 0 GGADMN CNC(=O)[C@@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000173724731 565579613 /nfs/dbraw/zinc/57/96/13/565579613.db2.gz UBWYMNXALDQXPZ-CYBMUJFWSA-N 0 1 378.270 3.062 20 0 GGADMN Cc1c(Br)scc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278819196 565579983 /nfs/dbraw/zinc/57/99/83/565579983.db2.gz IFGPJAYAVLAPSC-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2n[nH]cc2Br)c(Br)c1 ZINC000311220678 565579985 /nfs/dbraw/zinc/57/99/85/565579985.db2.gz UVIDUCVLRYWEKW-UHFFFAOYSA-N 0 1 395.076 3.044 20 0 GGADMN COCCOC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000173731762 565580102 /nfs/dbraw/zinc/58/01/02/565580102.db2.gz ZUIJHRDANNDBRP-STQMWFEESA-N 0 1 375.296 3.305 20 0 GGADMN CCS(=O)(=O)CCCCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000191072902 565580501 /nfs/dbraw/zinc/58/05/01/565580501.db2.gz NVZSHBCHNDXTMF-UHFFFAOYSA-N 0 1 381.464 3.144 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(Br)s1 ZINC000278837975 565580734 /nfs/dbraw/zinc/58/07/34/565580734.db2.gz KOKGIYRTIPYRJT-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN Cc1ccncc1CCCN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000278840959 565580813 /nfs/dbraw/zinc/58/08/13/565580813.db2.gz DFEDZZZBYQPSAW-KRWDZBQOSA-N 0 1 376.298 3.244 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000191082116 565581598 /nfs/dbraw/zinc/58/15/98/565581598.db2.gz VJYZKIRJDDOCAK-INIZCTEOSA-N 0 1 376.444 3.014 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000278855610 565581838 /nfs/dbraw/zinc/58/18/38/565581838.db2.gz QTAGYTSIELEXDD-XKQJLSEDSA-N 0 1 390.281 3.260 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)o1 ZINC000191079948 565581967 /nfs/dbraw/zinc/58/19/67/565581967.db2.gz YKTHYEUYLQAZIL-UHFFFAOYSA-N 0 1 392.297 3.350 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278862467 565582113 /nfs/dbraw/zinc/58/21/13/565582113.db2.gz NGABFOHOJRCGFZ-GFCCVEGCSA-N 0 1 387.307 3.327 20 0 GGADMN COCCN(Cc1cccnc1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000191119291 565584393 /nfs/dbraw/zinc/58/43/93/565584393.db2.gz FUTXFPNBJCVXOV-KRWDZBQOSA-N 0 1 383.261 3.165 20 0 GGADMN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1n[nH]c2ccc(Br)cc21 ZINC000173775743 565584638 /nfs/dbraw/zinc/58/46/38/565584638.db2.gz IOTVIKHEEFWQQD-CABCVRRESA-N 0 1 388.269 3.436 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278932506 565585508 /nfs/dbraw/zinc/58/55/08/565585508.db2.gz WJVCWMCHMUUILP-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN CS[C@H](CO)[C@H](C)NCc1cc(Cl)ccc1I ZINC000405281077 565585844 /nfs/dbraw/zinc/58/58/44/565585844.db2.gz BNRQYAGIENHATG-QPUJVOFHSA-N 0 1 385.698 3.147 20 0 GGADMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1I)CC1CC1 ZINC000405186865 565585999 /nfs/dbraw/zinc/58/59/99/565585999.db2.gz LNMWHCQMOVEYBY-UHFFFAOYSA-N 0 1 379.625 3.241 20 0 GGADMN CC[C@H](C)NC(=O)CCNCc1cc(Cl)ccc1I ZINC000405823485 565587294 /nfs/dbraw/zinc/58/72/94/565587294.db2.gz XFMWLZOSNXNOAO-JTQLQIEISA-N 0 1 394.684 3.339 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278956118 565587669 /nfs/dbraw/zinc/58/76/69/565587669.db2.gz ZKEODDCYTRRKFO-CQSZACIVSA-N 0 1 398.345 3.157 20 0 GGADMN Cc1cccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1Br ZINC000278954431 565587906 /nfs/dbraw/zinc/58/79/06/565587906.db2.gz ZHMAURMSMREHLF-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1Br ZINC000278995109 565588662 /nfs/dbraw/zinc/58/86/62/565588662.db2.gz LBDMYDGROGYZCO-CYBMUJFWSA-N 0 1 382.233 3.087 20 0 GGADMN CC1(C)Oc2ccc(NS(=O)(=O)c3cncc(Br)c3)cc2O1 ZINC000314806768 565588977 /nfs/dbraw/zinc/58/89/77/565588977.db2.gz FEQINCVJCOBLIF-UHFFFAOYSA-N 0 1 385.239 3.152 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1Br ZINC000278979167 565588918 /nfs/dbraw/zinc/58/89/18/565588918.db2.gz JHGRXXFCPAXMID-QGZVFWFLSA-N 0 1 392.297 3.320 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1Br ZINC000278979164 565589112 /nfs/dbraw/zinc/58/91/12/565589112.db2.gz JHGRXXFCPAXMID-KRWDZBQOSA-N 0 1 392.297 3.320 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000315201245 565589244 /nfs/dbraw/zinc/58/92/44/565589244.db2.gz DILNATBRLIWSDK-CYBMUJFWSA-N 0 1 382.176 3.167 20 0 GGADMN CN1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C2 ZINC000173815613 565589663 /nfs/dbraw/zinc/58/96/63/565589663.db2.gz ZHRZAGIICLRFAC-WDEREUQCSA-N 0 1 382.835 3.216 20 0 GGADMN C[C@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279031495 565591098 /nfs/dbraw/zinc/59/10/98/565591098.db2.gz DMQSNBQMSSSXOI-DZGCQCFKSA-N 0 1 390.307 3.003 20 0 GGADMN O=S(=O)(Nc1cccnc1N1CCCC1)c1ccc(Br)cc1 ZINC000316027712 565591541 /nfs/dbraw/zinc/59/15/41/565591541.db2.gz FPCRWZJEJMEUQB-UHFFFAOYSA-N 0 1 382.283 3.245 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1Br ZINC000279037531 565592632 /nfs/dbraw/zinc/59/26/32/565592632.db2.gz NLMXAISHSGFLMP-VCGICTTQSA-N 0 1 398.326 3.305 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000316872996 565592848 /nfs/dbraw/zinc/59/28/48/565592848.db2.gz OZPTYNQDVZMAAJ-HNNXBMFYSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1nn(C)c(CNCCc2nc(C(F)(F)F)cs2)c1Br ZINC000279070577 565593316 /nfs/dbraw/zinc/59/33/16/565593316.db2.gz GCHWOJASZXJLCH-UHFFFAOYSA-N 0 1 383.237 3.299 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC[N@H+]1C[C@@H](C)O ZINC000191282721 565593522 /nfs/dbraw/zinc/59/35/22/565593522.db2.gz ABXTVHQBJSPHSX-NEPJUHHUSA-N 0 1 390.311 3.311 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCN1C[C@@H](C)O ZINC000191282721 565593526 /nfs/dbraw/zinc/59/35/26/565593526.db2.gz ABXTVHQBJSPHSX-NEPJUHHUSA-N 0 1 390.311 3.311 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000191280432 565593581 /nfs/dbraw/zinc/59/35/81/565593581.db2.gz JQGJJGYOQFJCKF-NSHDSACASA-N 0 1 390.311 3.311 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000191280432 565593586 /nfs/dbraw/zinc/59/35/86/565593586.db2.gz JQGJJGYOQFJCKF-NSHDSACASA-N 0 1 390.311 3.311 20 0 GGADMN O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1c(Cl)ccc(F)c1F ZINC000408115306 565595558 /nfs/dbraw/zinc/59/55/58/565595558.db2.gz MVDUHISXPSBUAC-DFKRKDTASA-N 0 1 377.840 3.244 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(C(F)(F)F)ccc1Br ZINC000317629741 565595419 /nfs/dbraw/zinc/59/54/19/565595419.db2.gz WFLUMMRIZRGRKB-JTQLQIEISA-N 0 1 377.204 3.434 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@@H]3CCCCNC3=O)n2)cc1Br ZINC000191320440 565595871 /nfs/dbraw/zinc/59/58/71/565595871.db2.gz MSKNYGMFFMKAOH-GFCCVEGCSA-N 0 1 397.298 3.004 20 0 GGADMN O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1c(Cl)ccc(F)c1F ZINC000408115304 565595786 /nfs/dbraw/zinc/59/57/86/565595786.db2.gz MVDUHISXPSBUAC-AMFBXLIHSA-N 0 1 377.840 3.244 20 0 GGADMN CCCNC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191314260 565596100 /nfs/dbraw/zinc/59/61/00/565596100.db2.gz UGDPYKGGENDVIO-SECBINFHSA-N 0 1 399.314 3.250 20 0 GGADMN COC[C@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCO1 ZINC000279108146 565596145 /nfs/dbraw/zinc/59/61/45/565596145.db2.gz RZACAVPPPROUDH-UONOGXRCSA-N 0 1 381.687 3.369 20 0 GGADMN Cc1cc(NC(=O)N2CCCN(C)CC2)nn1-c1ccc(Cl)cc1Cl ZINC000408156304 565596482 /nfs/dbraw/zinc/59/64/82/565596482.db2.gz XUUBFGDBMGJBLK-UHFFFAOYSA-N 0 1 382.295 3.079 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3OC)C2)c1Br ZINC000279140921 565597842 /nfs/dbraw/zinc/59/78/42/565597842.db2.gz YCVRICDPZJGDTK-LLVKDONJSA-N 0 1 378.270 3.373 20 0 GGADMN Cn1ccnc1[C@@](O)(CCNCc1ncc(C(C)(C)C)s1)C(F)(F)F ZINC000279156740 565598062 /nfs/dbraw/zinc/59/80/62/565598062.db2.gz PJRSFTXGAJWRMM-HNNXBMFYSA-N 0 1 376.448 3.104 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(C)c(Br)c3)CC2)n[nH]1 ZINC000408226010 565600506 /nfs/dbraw/zinc/60/05/06/565600506.db2.gz ZLUSXNPKQYJTGJ-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN CCC1(CC)[C@H](NCc2nnnn2-c2ccccc2Br)C[C@@H]1OC ZINC000191375779 565600530 /nfs/dbraw/zinc/60/05/30/565600530.db2.gz ZIQJLMYYIAHKBB-CABCVRRESA-N 0 1 394.317 3.108 20 0 GGADMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000319938720 565600748 /nfs/dbraw/zinc/60/07/48/565600748.db2.gz ASMWHRQVGGWEBZ-RQJHMYQMSA-N 0 1 390.130 3.160 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc(Br)o2)c1 ZINC000191397245 565601614 /nfs/dbraw/zinc/60/16/14/565601614.db2.gz ILWAPBDUYUKHCW-HNNXBMFYSA-N 0 1 378.270 3.104 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000320366805 565602085 /nfs/dbraw/zinc/60/20/85/565602085.db2.gz IFWLFPUAQRSNBZ-AWEZNQCLSA-N 0 1 383.286 3.415 20 0 GGADMN C[C@@H](NCc1cc(Br)ccc1F)c1cccc(-n2cnnn2)c1 ZINC000320269356 565602166 /nfs/dbraw/zinc/60/21/66/565602166.db2.gz SZAKMYMPFMRTKN-LLVKDONJSA-N 0 1 376.233 3.415 20 0 GGADMN C[C@H](NCc1cc(Br)ccc1F)c1cccc(-n2cnnn2)c1 ZINC000320269358 565602287 /nfs/dbraw/zinc/60/22/87/565602287.db2.gz SZAKMYMPFMRTKN-NSHDSACASA-N 0 1 376.233 3.415 20 0 GGADMN CCN(C)c1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)cn1 ZINC000191423981 565602396 /nfs/dbraw/zinc/60/23/96/565602396.db2.gz UAEZBNGLPFUVIG-KRWDZBQOSA-N 0 1 378.314 3.466 20 0 GGADMN Cc1nnc(SCC(=O)N(Cc2cccc(Br)c2)CC2CC2)[nH]1 ZINC000191416195 565602457 /nfs/dbraw/zinc/60/24/57/565602457.db2.gz KUDGQTNUBKFNNK-UHFFFAOYSA-N 0 1 395.326 3.407 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(Cc2cccc(Br)c2)CC2CC2)n1 ZINC000191416195 565602459 /nfs/dbraw/zinc/60/24/59/565602459.db2.gz KUDGQTNUBKFNNK-UHFFFAOYSA-N 0 1 395.326 3.407 20 0 GGADMN O=C([O-])CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000320641518 565603392 /nfs/dbraw/zinc/60/33/92/565603392.db2.gz MYQBMQUUXXOSHK-UHFFFAOYSA-N 0 1 387.249 3.104 20 0 GGADMN C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000408306604 565603359 /nfs/dbraw/zinc/60/33/59/565603359.db2.gz QTXDNMPCNWZDTR-MRVPVSSYSA-N 0 1 375.650 3.005 20 0 GGADMN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000321111082 565604265 /nfs/dbraw/zinc/60/42/65/565604265.db2.gz JTFPILDLQUGWPT-UHFFFAOYSA-N 0 1 398.282 3.302 20 0 GGADMN Cc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1C(=O)N(C)C(C)C ZINC000279263275 565604283 /nfs/dbraw/zinc/60/42/83/565604283.db2.gz XOSZZTAKNZISKI-UHFFFAOYSA-N 0 1 396.563 3.346 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1Br ZINC000173999499 565604938 /nfs/dbraw/zinc/60/49/38/565604938.db2.gz GIJIUAKKXGPZQC-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN C[C@@H]1CCC[C@]1(O)CNCc1ncc(Br)cc1Br ZINC000328292526 565634790 /nfs/dbraw/zinc/63/47/90/565634790.db2.gz RXHPHLUZYATNQS-RNCFNFMXSA-N 0 1 378.108 3.247 20 0 GGADMN Cc1cc(NC(=O)CN(Cc2cccc(Br)c2)CC2CC2)n(C)n1 ZINC000191455068 565606115 /nfs/dbraw/zinc/60/61/15/565606115.db2.gz LIYFTXIZUQWKAI-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN CC(C)[NH+]1CCN(CCCN(C)Cc2cc(Br)ccc2F)CC1 ZINC000191467519 565606710 /nfs/dbraw/zinc/60/67/10/565606710.db2.gz PVHCNHFXPPTJJV-UHFFFAOYSA-N 0 1 386.353 3.436 20 0 GGADMN CCSCC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000174031779 565608190 /nfs/dbraw/zinc/60/81/90/565608190.db2.gz HGZDMSLXHIDLDG-ZDUSSCGKSA-N 0 1 381.933 3.323 20 0 GGADMN Cc1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1Br ZINC000322387622 565609667 /nfs/dbraw/zinc/60/96/67/565609667.db2.gz PFULSHGOMKIUPH-MRXNPFEDSA-N 0 1 381.314 3.084 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3cc(C)cc(Br)c3)CC2)n[nH]1 ZINC000408439709 565609783 /nfs/dbraw/zinc/60/97/83/565609783.db2.gz UQUMKEYDXAUJNI-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN Cc1cc(F)c(Br)cc1NC(=O)c1cnc2c(cnn2C)c1O ZINC000191528757 565610111 /nfs/dbraw/zinc/61/01/11/565610111.db2.gz UGXXKXVYLSCQKL-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN Cc1cc(F)c(Br)cc1NC(=O)c1cnc2n(C)[nH]cc-2c1=O ZINC000191528757 565610119 /nfs/dbraw/zinc/61/01/19/565610119.db2.gz UGXXKXVYLSCQKL-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN Cc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1Br ZINC000322854623 565611595 /nfs/dbraw/zinc/61/15/95/565611595.db2.gz QYDPMJQCYIVSOY-INIZCTEOSA-N 0 1 381.314 3.084 20 0 GGADMN COc1ccc2c(c1)[C@H](NCCNS(=O)(=O)c1ccc(C)s1)CCS2 ZINC000191535731 565611751 /nfs/dbraw/zinc/61/17/51/565611751.db2.gz CIBIFRHUQLSTBJ-OAHLLOKOSA-N 0 1 398.575 3.170 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H]3CCc4c3ccc(Cl)c4Cl)C2=O)n(C)n1 ZINC000174091263 565612450 /nfs/dbraw/zinc/61/24/50/565612450.db2.gz RUDSLQHURFQOFB-HUUCEWRRSA-N 0 1 379.291 3.418 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H]3CCc4c3ccc(Cl)c4Cl)C2=O)n(C)n1 ZINC000174091293 565612481 /nfs/dbraw/zinc/61/24/81/565612481.db2.gz RUDSLQHURFQOFB-LSDHHAIUSA-N 0 1 379.291 3.418 20 0 GGADMN C[C@H]1OCC[C@@]12CN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)C[C@@H](C)O2 ZINC000279453896 565613398 /nfs/dbraw/zinc/61/33/98/565613398.db2.gz VSPFWTOTPIMPFJ-CZIZLABSSA-N 0 1 381.885 3.200 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c(Br)c1 ZINC000323712622 565614923 /nfs/dbraw/zinc/61/49/23/565614923.db2.gz ITLIDCDRHSJESK-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c(Br)c1 ZINC000323712622 565614928 /nfs/dbraw/zinc/61/49/28/565614928.db2.gz ITLIDCDRHSJESK-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN O=C([O-])[C@@]1([NH2+]Cc2cc(F)ccc2Br)CCOc2ccccc21 ZINC000409447455 565615035 /nfs/dbraw/zinc/61/50/35/565615035.db2.gz FPHIOTAJZGGOKO-QGZVFWFLSA-N 0 1 380.213 3.440 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncccc2Br)C1 ZINC000323737353 565615207 /nfs/dbraw/zinc/61/52/07/565615207.db2.gz AOYWQKPAAOJSSD-HNNXBMFYSA-N 0 1 388.309 3.438 20 0 GGADMN O=S(=O)(NCCN1CC[C@@H](CSc2ccccc2)C1)c1ccccc1 ZINC000174142288 565615447 /nfs/dbraw/zinc/61/54/47/565615447.db2.gz FYAFHYOIPYTPNS-QGZVFWFLSA-N 0 1 376.547 3.079 20 0 GGADMN CCc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)n[nH]1 ZINC000279494419 565615569 /nfs/dbraw/zinc/61/55/69/565615569.db2.gz JDASXJWTFLDPDQ-UHFFFAOYSA-N 0 1 377.286 3.451 20 0 GGADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@@H]1CCCOC1 ZINC000174154595 565617062 /nfs/dbraw/zinc/61/70/62/565617062.db2.gz DBXLTNIFEZSFRL-JTQLQIEISA-N 0 1 377.229 3.024 20 0 GGADMN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCN(CC2CC2)CC1 ZINC000409478263 565617173 /nfs/dbraw/zinc/61/71/73/565617173.db2.gz LSVUYEDSQWWZGW-ICSRJNTNSA-N 0 1 389.337 3.207 20 0 GGADMN Cc1cccc(Br)c1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000324411838 565618070 /nfs/dbraw/zinc/61/80/70/565618070.db2.gz FCWZKLHATKQUKX-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN COC(=O)CCN(Cc1c(C)nn(C)c1C)Cc1cccc(Br)c1 ZINC000191630909 565618160 /nfs/dbraw/zinc/61/81/60/565618160.db2.gz GEDUNOPTRBRIKS-UHFFFAOYSA-N 0 1 394.313 3.365 20 0 GGADMN O=C1NCCN1c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000324715792 565618694 /nfs/dbraw/zinc/61/86/94/565618694.db2.gz FIWWWVSNZJPAOF-UHFFFAOYSA-N 0 1 386.260 3.324 20 0 GGADMN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174179249 565618664 /nfs/dbraw/zinc/61/86/64/565618664.db2.gz IBUSKGNFYIZSPL-GFCCVEGCSA-N 0 1 382.291 3.269 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000174168450 565618731 /nfs/dbraw/zinc/61/87/31/565618731.db2.gz FWJXIMOVIXEMDM-UHFFFAOYSA-N 0 1 388.225 3.027 20 0 GGADMN Cc1nsc(N2CCCN(CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000174171043 565618899 /nfs/dbraw/zinc/61/88/99/565618899.db2.gz MYEQAZJUVJCTQE-UHFFFAOYSA-N 0 1 379.917 3.041 20 0 GGADMN COc1cc(CNCC2(S(C)(=O)=O)CC2)ccc1OCc1cccs1 ZINC000279567964 565620084 /nfs/dbraw/zinc/62/00/84/565620084.db2.gz AGRIBWJTSAILKA-UHFFFAOYSA-N 0 1 381.519 3.003 20 0 GGADMN O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174191614 565620248 /nfs/dbraw/zinc/62/02/48/565620248.db2.gz MEYHPANSASYFPM-COXVUDFISA-N 0 1 383.319 3.278 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191688388 565621512 /nfs/dbraw/zinc/62/15/12/565621512.db2.gz QGLPIPVTNVUYPG-YOEHRIQHSA-N 0 1 383.330 3.021 20 0 GGADMN Cc1cccc(O[C@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174235895 565622200 /nfs/dbraw/zinc/62/22/00/565622200.db2.gz VXXWATKQOUAUFJ-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN CCCN1CCN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000409560910 565624374 /nfs/dbraw/zinc/62/43/74/565624374.db2.gz IFMYIVBHTZVRCA-IEBWSBKVSA-N 0 1 377.326 3.207 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000174251916 565624823 /nfs/dbraw/zinc/62/48/23/565624823.db2.gz YYOUJQUZTPLVDQ-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1ccccc1O[C@@H](C)CN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174258808 565625130 /nfs/dbraw/zinc/62/51/30/565625130.db2.gz FHUZECTXHHXKEU-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN COc1cccc(O[C@@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174256297 565625142 /nfs/dbraw/zinc/62/51/42/565625142.db2.gz OUFHJNQCBDLCGW-YVEFUNNKSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccccc1O[C@@H](C)CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174271315 565625853 /nfs/dbraw/zinc/62/58/53/565625853.db2.gz JNNJYPQZOVPGPP-SJCJKPOMSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccc(O[C@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174268520 565626201 /nfs/dbraw/zinc/62/62/01/565626201.db2.gz PGAAFMIJEZUZDB-SJKOYZFVSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1ccc(F)cc1 ZINC000174264446 565626244 /nfs/dbraw/zinc/62/62/44/565626244.db2.gz GODBFZMEKNGXKN-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN COc1cc(CN2C[C@@H](C)[C@H](CO)C2)cc(Br)c1OC(F)F ZINC000191729721 565626335 /nfs/dbraw/zinc/62/63/35/565626335.db2.gz DARJNFGOASXITD-KOLCDFICSA-N 0 1 380.229 3.119 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000279680242 565626685 /nfs/dbraw/zinc/62/66/85/565626685.db2.gz OOJGGUUVDJRSOS-UHFFFAOYSA-N 0 1 386.233 3.135 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000279690694 565628027 /nfs/dbraw/zinc/62/80/27/565628027.db2.gz PTNZNRWSIJUXLC-GXSJLCMTSA-N 0 1 377.242 3.178 20 0 GGADMN Cc1cc(C2CCN(C[C@H]3CCS(=O)(=O)C3)CC2)ccc1Br ZINC000279734687 565629957 /nfs/dbraw/zinc/62/99/57/565629957.db2.gz NVPCEKOIZIYQSW-CQSZACIVSA-N 0 1 386.355 3.372 20 0 GGADMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000191811558 565634244 /nfs/dbraw/zinc/63/42/44/565634244.db2.gz AIUHTPFCSAABCM-UHFFFAOYSA-N 0 1 386.246 3.365 20 0 GGADMN O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCN(C2CCC2)CC1 ZINC000409702555 565634319 /nfs/dbraw/zinc/63/43/19/565634319.db2.gz BHPJSQMZFKJYBY-UYAOXDASSA-N 0 1 389.337 3.350 20 0 GGADMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)n1 ZINC000191811497 565634459 /nfs/dbraw/zinc/63/44/59/565634459.db2.gz TWENXUDEFZNOIY-JTQLQIEISA-N 0 1 379.869 3.440 20 0 GGADMN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCN(C2CCC2)CC1 ZINC000409702553 565634580 /nfs/dbraw/zinc/63/45/80/565634580.db2.gz BHPJSQMZFKJYBY-ICSRJNTNSA-N 0 1 389.337 3.350 20 0 GGADMN C[C@H](NCCS(=O)(=O)N(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000328018595 565634571 /nfs/dbraw/zinc/63/45/71/565634571.db2.gz IUGJKOCPCGAYLM-VIFPVBQESA-N 0 1 392.365 3.266 20 0 GGADMN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCN(C2CCC2)CC1 ZINC000409702552 565634984 /nfs/dbraw/zinc/63/49/84/565634984.db2.gz BHPJSQMZFKJYBY-AZUAARDMSA-N 0 1 389.337 3.350 20 0 GGADMN O=C(N[C@@H]1CCCC12CCOCC2)c1n[nH]c2ccc(Br)cc21 ZINC000328638661 565636816 /nfs/dbraw/zinc/63/68/16/565636816.db2.gz BQTRKDAZXZEDKU-CQSZACIVSA-N 0 1 378.270 3.405 20 0 GGADMN CN1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C2(CCCCC2)C1 ZINC000328664050 565637183 /nfs/dbraw/zinc/63/71/83/565637183.db2.gz YICZVSCJSPRPMA-UHFFFAOYSA-N 0 1 391.313 3.416 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3CCCN(C(C)C)C3)c2)n1 ZINC000328637271 565637310 /nfs/dbraw/zinc/63/73/10/565637310.db2.gz CSSCGPYXASPIQB-INIZCTEOSA-N 0 1 379.551 3.270 20 0 GGADMN Cn1nccc1[C@H]1CCCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000328645847 565637401 /nfs/dbraw/zinc/63/74/01/565637401.db2.gz AWXMUBRMPYEPDA-OAHLLOKOSA-N 0 1 388.269 3.426 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409724690 565638149 /nfs/dbraw/zinc/63/81/49/565638149.db2.gz YKCMCZLMZSSGSK-CMKODMSKSA-N 0 1 391.353 3.452 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc(I)c1 ZINC000174459179 565638478 /nfs/dbraw/zinc/63/84/78/565638478.db2.gz IVHDBVKAXQRCMH-UHFFFAOYSA-N 0 1 395.175 3.237 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)C[C@H]2CCCCO2)c2cccs2)CC1 ZINC000328692817 565638539 /nfs/dbraw/zinc/63/85/39/565638539.db2.gz FMEHLRHMGDXDFZ-IAGOWNOFSA-N 0 1 386.583 3.010 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1Br ZINC000174508321 565640756 /nfs/dbraw/zinc/64/07/56/565640756.db2.gz NJUZZCKBFMLKEU-UHFFFAOYSA-N 0 1 394.248 3.284 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000328746106 565640860 /nfs/dbraw/zinc/64/08/60/565640860.db2.gz AJRXYZGLFBIIIE-MLGOLLRUSA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000328746106 565640864 /nfs/dbraw/zinc/64/08/64/565640864.db2.gz AJRXYZGLFBIIIE-MLGOLLRUSA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000328746108 565640959 /nfs/dbraw/zinc/64/09/59/565640959.db2.gz AJRXYZGLFBIIIE-WBMJQRKESA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000328746108 565640962 /nfs/dbraw/zinc/64/09/62/565640962.db2.gz AJRXYZGLFBIIIE-WBMJQRKESA-N 0 1 375.270 3.036 20 0 GGADMN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000174537008 565642054 /nfs/dbraw/zinc/64/20/54/565642054.db2.gz FFMFMOBOKKLALV-SNVBAGLBSA-N 0 1 377.857 3.293 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174547549 565643024 /nfs/dbraw/zinc/64/30/24/565643024.db2.gz YWXCMVCPXAZMHR-JTQLQIEISA-N 0 1 379.251 3.156 20 0 GGADMN C[C@H](NC[C@@H](O)c1ccsc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279952431 565643448 /nfs/dbraw/zinc/64/34/48/565643448.db2.gz BXNISXNABHMGMI-ISVAXAHUSA-N 0 1 395.333 3.087 20 0 GGADMN COC[C@@H](CO)NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000279956308 565643459 /nfs/dbraw/zinc/64/34/59/565643459.db2.gz ZXXXPNKRLNQOEH-OAHLLOKOSA-N 0 1 383.275 3.343 20 0 GGADMN Cc1[nH]ncc1CCCN1C(=O)[C@H](c2cccc(Br)c2)N(C)C1=O ZINC000279970977 565643471 /nfs/dbraw/zinc/64/34/71/565643471.db2.gz XSDYFRGUUILKHS-HNNXBMFYSA-N 0 1 391.269 3.049 20 0 GGADMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000328823608 565643815 /nfs/dbraw/zinc/64/38/15/565643815.db2.gz PMKCLKZNIUOYAA-MRXNPFEDSA-N 0 1 379.551 3.223 20 0 GGADMN CCOc1ccc(Br)cc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000174576894 565644720 /nfs/dbraw/zinc/64/47/20/565644720.db2.gz MKKLQAPGRUPXEY-UHFFFAOYSA-N 0 1 385.287 3.395 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)N1CCN(CC2CC2)CC1 ZINC000191954590 565645254 /nfs/dbraw/zinc/64/52/54/565645254.db2.gz HKBXZWFAUNJUOY-UHFFFAOYSA-N 0 1 387.705 3.279 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cc(Br)nn2C)[nH]1 ZINC000191959697 565645272 /nfs/dbraw/zinc/64/52/72/565645272.db2.gz SJZQSCNKWHCLCQ-UHFFFAOYSA-N 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ZWGXUUXXTKXXNM-UHFFFAOYSA-N 0 1 378.270 3.418 20 0 GGADMN O[C@H](COCc1cccs1)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193159828 565735625 /nfs/dbraw/zinc/73/56/25/565735625.db2.gz NCMOMHMAJJXCRI-HNNXBMFYSA-N 0 1 381.925 3.263 20 0 GGADMN C[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nnc[nH]1 ZINC000175942760 565736120 /nfs/dbraw/zinc/73/61/20/565736120.db2.gz NIMCILWEEPWLAB-SECBINFHSA-N 0 1 392.282 3.111 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCc1ccc(Br)s1 ZINC000175962293 565736426 /nfs/dbraw/zinc/73/64/26/565736426.db2.gz KPKLQTLWPWCWEC-UHFFFAOYSA-N 0 1 396.382 3.476 20 0 GGADMN O=C(CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1)NC[C@H]1CCCO1 ZINC000411566345 565736525 /nfs/dbraw/zinc/73/65/25/565736525.db2.gz GPSDANHGPCFJGW-SJORKVTESA-N 0 1 399.304 3.314 20 0 GGADMN CSc1ccccc1[C@H](C)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000281582125 565737593 /nfs/dbraw/zinc/73/75/93/565737593.db2.gz DKAVPRAYVCKUCD-ZDUSSCGKSA-N 0 1 378.519 3.101 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000175975984 565737990 /nfs/dbraw/zinc/73/79/90/565737990.db2.gz SBIKEAYQNNNRAW-VXGBXAGGSA-N 0 1 376.831 3.171 20 0 GGADMN O=C(NCC1CCN(C(=O)c2ccc(F)c(Cl)c2F)CC1)C(F)(F)F ZINC000281571356 565738225 /nfs/dbraw/zinc/73/82/25/565738225.db2.gz ASSAFXWKEJHNJW-UHFFFAOYSA-N 0 1 384.732 3.149 20 0 GGADMN CCOc1ccc(Br)cc1CN(C(=O)Cc1ccn[nH]1)C1CC1 ZINC000176007030 565741238 /nfs/dbraw/zinc/74/12/38/565741238.db2.gz NWDUIWJTQOZPAV-UHFFFAOYSA-N 0 1 378.270 3.305 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000281693743 565741973 /nfs/dbraw/zinc/74/19/73/565741973.db2.gz SCDSFKSVJRNFKS-CQSZACIVSA-N 0 1 386.355 3.237 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Br)c1Cl ZINC000411645860 565742617 /nfs/dbraw/zinc/74/26/17/565742617.db2.gz PAYDGAGFYMUDTK-CHWSQXEVSA-N 0 1 395.750 3.053 20 0 GGADMN Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCc1nnc[nH]1 ZINC000176046175 565743079 /nfs/dbraw/zinc/74/30/79/565743079.db2.gz XGRFAGRPBMZHKF-UHFFFAOYSA-N 0 1 386.253 3.231 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc2)CC1 ZINC000176046266 565743479 /nfs/dbraw/zinc/74/34/79/565743479.db2.gz FOJHQRFUPVHCKA-UHFFFAOYSA-N 0 1 395.579 3.073 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)NC(C2CC2)C2CC2)cc1Br ZINC000193311629 565744708 /nfs/dbraw/zinc/74/47/08/565744708.db2.gz SQXSHIQGWVKJTJ-NSHDSACASA-N 0 1 381.314 3.413 20 0 GGADMN O=C(CCc1cnc[nH]1)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000193347134 565746648 /nfs/dbraw/zinc/74/66/48/565746648.db2.gz KAMOIGULCZXJLN-UHFFFAOYSA-N 0 1 388.269 3.183 20 0 GGADMN O=C(NCC1CCN(C(=O)c2cc(Br)cs2)CC1)C(F)(F)F ZINC000281792331 565748174 /nfs/dbraw/zinc/74/81/74/565748174.db2.gz SHHPNCNYSPURNM-UHFFFAOYSA-N 0 1 399.232 3.041 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Br)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000331231305 565748465 /nfs/dbraw/zinc/74/84/65/565748465.db2.gz QNQVLTHNACCCEP-DCAQKATOSA-N 0 1 388.331 3.324 20 0 GGADMN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176102090 565748916 /nfs/dbraw/zinc/74/89/16/565748916.db2.gz DKZQBTFSINCOTR-HUUCEWRRSA-N 0 1 382.957 3.493 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)NCc1ccncc1OCC(F)(F)F ZINC000281797377 565749566 /nfs/dbraw/zinc/74/95/66/565749566.db2.gz YDEKFHRJVRFIBI-SNVBAGLBSA-N 0 1 393.207 3.160 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N(C)c1ccccc1 ZINC000411763180 565750592 /nfs/dbraw/zinc/75/05/92/565750592.db2.gz UOXNXECPSLLNPH-SUMWQHHRSA-N 0 1 377.282 3.124 20 0 GGADMN CN(C(=O)CCN[C@@H](CO)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000411762695 565750854 /nfs/dbraw/zinc/75/08/54/565750854.db2.gz XONQXDLXNSOCDI-KRWDZBQOSA-N 0 1 395.272 3.264 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N(C)c1ccccc1 ZINC000411763178 565751024 /nfs/dbraw/zinc/75/10/24/565751024.db2.gz UOXNXECPSLLNPH-GUYCJALGSA-N 0 1 377.282 3.124 20 0 GGADMN CSc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000176119625 565751118 /nfs/dbraw/zinc/75/11/18/565751118.db2.gz RPHNSLXQARIXEC-INIZCTEOSA-N 0 1 384.977 3.455 20 0 GGADMN CC(C)(C)OC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000331289768 565751428 /nfs/dbraw/zinc/75/14/28/565751428.db2.gz AZBFICDYUQAPNI-UHFFFAOYSA-N 0 1 381.416 3.379 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CC=C(C(F)(F)F)CC1 ZINC000331291499 565753331 /nfs/dbraw/zinc/75/33/31/565753331.db2.gz BIPOECWUFUIUHS-UHFFFAOYSA-N 0 1 375.290 3.294 20 0 GGADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000411831855 565757175 /nfs/dbraw/zinc/75/71/75/565757175.db2.gz CJXVZWLVYYUDBS-CYBMUJFWSA-N 0 1 376.444 3.266 20 0 GGADMN O=S1(=O)CCCN1C1CCN(Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000411835786 565757854 /nfs/dbraw/zinc/75/78/54/565757854.db2.gz ULOFEQNTJAXGML-UHFFFAOYSA-N 0 1 376.547 3.415 20 0 GGADMN CCN1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000193522864 565758630 /nfs/dbraw/zinc/75/86/30/565758630.db2.gz MPVOVNUYEYVPLJ-UHFFFAOYSA-N 0 1 378.929 3.348 20 0 GGADMN C[C@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1nnc[nH]1 ZINC000176222435 565758759 /nfs/dbraw/zinc/75/87/59/565758759.db2.gz OGNTYQHZUSRYAA-JTQLQIEISA-N 0 1 390.241 3.032 20 0 GGADMN CN(C)C(=O)[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000411930108 565762161 /nfs/dbraw/zinc/76/21/61/565762161.db2.gz GENOJJOYYQNUBS-CYBMUJFWSA-N 0 1 378.270 3.014 20 0 GGADMN CN(C)C(=O)[C@H]1CCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000411931333 565762459 /nfs/dbraw/zinc/76/24/59/565762459.db2.gz HWISIYJYYCCMAH-ZDUSSCGKSA-N 0 1 394.338 3.483 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC1CCN(c2nccs2)CC1 ZINC000282053283 565762563 /nfs/dbraw/zinc/76/25/63/565762563.db2.gz AVZVMRUAJCFKGR-UHFFFAOYSA-N 0 1 399.969 3.349 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3Cc4cc(Br)ccc4O3)[nH]c2c1 ZINC000193576876 565762907 /nfs/dbraw/zinc/76/29/07/565762907.db2.gz LHMCGNICGSRXNL-INIZCTEOSA-N 0 1 386.249 3.254 20 0 GGADMN CN(C)C(=O)[C@@H]1CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000411955522 565763136 /nfs/dbraw/zinc/76/31/36/565763136.db2.gz QJCDOZDXOMZCEL-CYBMUJFWSA-N 0 1 394.338 3.483 20 0 GGADMN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CCc1nc[nH]n1 ZINC000331521489 565764267 /nfs/dbraw/zinc/76/42/67/565764267.db2.gz MUNQFFJSLVDBTD-PSLIRLAXSA-N 0 1 381.299 3.099 20 0 GGADMN C[C@H](N[C@@H](CO)[C@H]1CCCOC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000411989633 565764383 /nfs/dbraw/zinc/76/43/83/565764383.db2.gz HUOJZTQQGHUZAL-PGUXBMHVSA-N 0 1 386.279 3.482 20 0 GGADMN OC[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000411990772 565764590 /nfs/dbraw/zinc/76/45/90/565764590.db2.gz INQASJRVQHXWOR-DYVFJYSZSA-N 0 1 382.913 3.253 20 0 GGADMN CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c1Br ZINC000331526324 565764633 /nfs/dbraw/zinc/76/46/33/565764633.db2.gz DHUBXLWHYBOLNV-NSHDSACASA-N 0 1 395.305 3.344 20 0 GGADMN OC[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000411990775 565764750 /nfs/dbraw/zinc/76/47/50/565764750.db2.gz INQASJRVQHXWOR-GUYCJALGSA-N 0 1 382.913 3.253 20 0 GGADMN CC(C)(CN1CCOCC1)NCc1ncc(-c2ccccc2Br)o1 ZINC000412000788 565764913 /nfs/dbraw/zinc/76/49/13/565764913.db2.gz FBLYXNWKHSCEIG-UHFFFAOYSA-N 0 1 394.313 3.305 20 0 GGADMN OC[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCOC1 ZINC000411990769 565765221 /nfs/dbraw/zinc/76/52/21/565765221.db2.gz INQASJRVQHXWOR-CXAGYDPISA-N 0 1 382.913 3.253 20 0 GGADMN COC1([C@H](C)NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCC1 ZINC000412019108 565765767 /nfs/dbraw/zinc/76/57/67/565765767.db2.gz DMSFGORKFPUHCR-ZDUSSCGKSA-N 0 1 380.535 3.261 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(Br)ccc2C)CCN1C[C@@H](C)O ZINC000176345877 565766220 /nfs/dbraw/zinc/76/62/20/565766220.db2.gz SLYOSJADRWCFMW-HIFRSBDPSA-N 0 1 384.318 3.066 20 0 GGADMN CC(C)c1nc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000331556233 565766583 /nfs/dbraw/zinc/76/65/83/565766583.db2.gz IXJXVIIFZNEBDN-CQSZACIVSA-N 0 1 383.265 3.403 20 0 GGADMN CNC(=O)[C@H](C)CN(C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000176369396 565766697 /nfs/dbraw/zinc/76/66/97/565766697.db2.gz MYKFIKFTBGBAHK-LLVKDONJSA-N 0 1 382.327 3.387 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000412054852 565767524 /nfs/dbraw/zinc/76/75/24/565767524.db2.gz JNYUPLGMPOFKOI-OAHLLOKOSA-N 0 1 381.314 3.435 20 0 GGADMN COc1ccc(Br)cc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054032 565767571 /nfs/dbraw/zinc/76/75/71/565767571.db2.gz HFCJQAXKASLNAO-MRXNPFEDSA-N 0 1 381.314 3.435 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000331571351 565767743 /nfs/dbraw/zinc/76/77/43/565767743.db2.gz ZQHCALREZZYZGM-QLFBSQMISA-N 0 1 398.345 3.309 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1 ZINC000331571355 565767943 /nfs/dbraw/zinc/76/79/43/565767943.db2.gz ZQHCALREZZYZGM-RBSFLKMASA-N 0 1 398.345 3.309 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(CCOc2ccccc2Br)CC1 ZINC000412054078 565768079 /nfs/dbraw/zinc/76/80/79/565768079.db2.gz HHNIAAITGQQCGE-HNNXBMFYSA-N 0 1 381.314 3.305 20 0 GGADMN O=C1CCCN1[C@@H]1CCCN(CCOc2ccccc2Br)CC1 ZINC000412054080 565768694 /nfs/dbraw/zinc/76/86/94/565768694.db2.gz HHNIAAITGQQCGE-OAHLLOKOSA-N 0 1 381.314 3.305 20 0 GGADMN CCN(C[C@H]1CCN(CC(=O)N[C@@H](C)c2cccs2)C1)CC(F)(F)F ZINC000176404093 565769725 /nfs/dbraw/zinc/76/97/25/565769725.db2.gz YHVDNGCCBXBSRT-UONOGXRCSA-N 0 1 377.476 3.131 20 0 GGADMN CCN(CC)CCS(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000331603176 565770628 /nfs/dbraw/zinc/77/06/28/565770628.db2.gz QUTHFPSYIHYHJP-UHFFFAOYSA-N 0 1 381.567 3.147 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N=c2nc(-c3sccc3C)[n-]s2)C[C@H]1C ZINC000331610026 565771315 /nfs/dbraw/zinc/77/13/15/565771315.db2.gz RNLLZQZJLCMRCY-OLZOCXBDSA-N 0 1 379.555 3.333 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N=c2nc(-c3sccc3C)[n-]s2)C[C@@H]1C ZINC000331610032 565771578 /nfs/dbraw/zinc/77/15/78/565771578.db2.gz RNLLZQZJLCMRCY-STQMWFEESA-N 0 1 379.555 3.333 20 0 GGADMN Cc1sc(Br)c(C(=O)N2CCN(C3CCOCC3)CC2)c1C ZINC000282382094 565776396 /nfs/dbraw/zinc/77/63/96/565776396.db2.gz OMNMKIQKRVKALW-UHFFFAOYSA-N 0 1 387.343 3.064 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCc1nc(C(F)(F)F)cs1 ZINC000176486702 565777083 /nfs/dbraw/zinc/77/70/83/565777083.db2.gz WFHUFMJGQOGCFT-UHFFFAOYSA-N 0 1 386.471 3.127 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000331707591 565778103 /nfs/dbraw/zinc/77/81/03/565778103.db2.gz DIGDNJQPSUPABJ-SJORKVTESA-N 0 1 379.302 3.019 20 0 GGADMN C[C@@H](NC(=O)N1CCOC[C@@H]1c1nnc[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000331719030 565778869 /nfs/dbraw/zinc/77/88/69/565778869.db2.gz IEZRHTLJERWDOD-LDYMZIIASA-N 0 1 388.230 3.095 20 0 GGADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1C ZINC000331723843 565780574 /nfs/dbraw/zinc/78/05/74/565780574.db2.gz KXDKGEIALZAYJE-ZDUSSCGKSA-N 0 1 377.286 3.045 20 0 GGADMN CN(C(=O)CSc1n[n-]c(=S)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000176534072 565781066 /nfs/dbraw/zinc/78/10/66/565781066.db2.gz FFUACCCVIVAKMH-AWEZNQCLSA-N 0 1 394.591 3.416 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1C(=O)N(C)C ZINC000176527469 565781839 /nfs/dbraw/zinc/78/18/39/565781839.db2.gz HUJZXIOCDZUVHP-UHFFFAOYSA-N 0 1 397.294 3.260 20 0 GGADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331771456 565783142 /nfs/dbraw/zinc/78/31/42/565783142.db2.gz DFPHHDOHUMGDBR-ZDUSSCGKSA-N 0 1 384.299 3.145 20 0 GGADMN Cc1ccc(N2CCC[C@H](NCc3cc(O)ccc3Br)C2)nn1 ZINC000331781765 565783813 /nfs/dbraw/zinc/78/38/13/565783813.db2.gz ARVRBFFNGVVPHC-AWEZNQCLSA-N 0 1 377.286 3.012 20 0 GGADMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1Br ZINC000331802520 565785462 /nfs/dbraw/zinc/78/54/62/565785462.db2.gz JUJINNRFBDKIBH-CABZTGNLSA-N 0 1 384.299 3.398 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1Br ZINC000176580815 565785719 /nfs/dbraw/zinc/78/57/19/565785719.db2.gz UUSGCECGHLSDDA-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCSc1ccc(F)cc1)C2 ZINC000193956100 565785791 /nfs/dbraw/zinc/78/57/91/565785791.db2.gz XNHWAIXUYVZQMU-UHFFFAOYSA-N 0 1 380.510 3.348 20 0 GGADMN CS(=O)(=O)Nc1cccc2c1CCN(CCSc1ccc(F)cc1)C2 ZINC000193956100 565785797 /nfs/dbraw/zinc/78/57/97/565785797.db2.gz XNHWAIXUYVZQMU-UHFFFAOYSA-N 0 1 380.510 3.348 20 0 GGADMN COc1ccc(CNC(=O)CN[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000193979072 565786773 /nfs/dbraw/zinc/78/67/73/565786773.db2.gz JOKXUQOCCPZFEF-GOSISDBHSA-N 0 1 389.293 3.351 20 0 GGADMN Cc1ccc(I)cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331839039 565787034 /nfs/dbraw/zinc/78/70/34/565787034.db2.gz OYZVGODHWKQKFK-ZDUSSCGKSA-N 0 1 381.217 3.130 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@H]1CCCc2cn[nH]c21 ZINC000282582707 565787682 /nfs/dbraw/zinc/78/76/82/565787682.db2.gz HCSWOJFBBHAYOE-QWHCGFSZSA-N 0 1 395.232 3.122 20 0 GGADMN Brc1cc2c(cc1CN1CCC[C@H](c3cc[nH]n3)C1)OCCO2 ZINC000193992878 565788421 /nfs/dbraw/zinc/78/84/21/565788421.db2.gz NSMCIDDEIBFJHV-LBPRGKRZSA-N 0 1 378.270 3.323 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)CC2 ZINC000282657322 565790236 /nfs/dbraw/zinc/79/02/36/565790236.db2.gz HVZNVMRWVXRBPI-MRVPVSSYSA-N 0 1 384.661 3.285 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(Br)c(F)c3)C2=O)n(C)n1 ZINC000331896274 565790591 /nfs/dbraw/zinc/79/05/91/565790591.db2.gz GFMJYXIJOZJWNO-XHDPSFHLSA-N 0 1 395.276 3.086 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000194025270 565790986 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COc1ccc(CCC(=O)Nc2ccc3[nH]nnc3c2)cc1Br ZINC000176728995 565798781 /nfs/dbraw/zinc/79/87/81/565798781.db2.gz YKDKRNNWGNZBFE-UHFFFAOYSA-N 0 1 375.226 3.300 20 0 GGADMN Cc1cccc(C(=O)Nc2ccc3[nH]nnc3c2)c1I ZINC000176724831 565798855 /nfs/dbraw/zinc/79/88/55/565798855.db2.gz YWBFALZPFFTYMY-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CS[C@H](C)C2)cc1 ZINC000412612794 565799197 /nfs/dbraw/zinc/79/91/97/565799197.db2.gz VSCCOLGUFRLMFZ-TZMCWYRMSA-N 0 1 396.559 3.481 20 0 GGADMN CC(C)CO[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332018239 565799448 /nfs/dbraw/zinc/79/94/48/565799448.db2.gz RYZFCVHGPIQPGQ-CYBMUJFWSA-N 0 1 393.281 3.178 20 0 GGADMN CCc1nc(C[S@](=O)Cc2coc(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000194182933 565799681 /nfs/dbraw/zinc/79/96/81/565799681.db2.gz IWZVUICPWAMEKY-HSZRJFAPSA-N 0 1 395.282 3.234 20 0 GGADMN C[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nnc[nH]1 ZINC000176739685 565800002 /nfs/dbraw/zinc/80/00/02/565800002.db2.gz RAUMHYXTYMYGAV-SNVBAGLBSA-N 0 1 388.225 3.246 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1c(C)nn(C)c1Cl ZINC000176760803 565800476 /nfs/dbraw/zinc/80/04/76/565800476.db2.gz QJXWLSSYGOZXLZ-UHFFFAOYSA-N 0 1 385.295 3.471 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCc3ccc(Br)cc32)c1 ZINC000282870354 565800554 /nfs/dbraw/zinc/80/05/54/565800554.db2.gz ZMDBYEUAXBEAPF-QGZVFWFLSA-N 0 1 395.322 3.134 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cnc([C@H](C)O)s1 ZINC000282864913 565800937 /nfs/dbraw/zinc/80/09/37/565800937.db2.gz ABSFIWYFIZXHJB-ZDUSSCGKSA-N 0 1 377.535 3.306 20 0 GGADMN CCc1nc(C[S@](=O)Cc2csc(COc3ccc(C)cc3)n2)n[nH]1 ZINC000194207452 565801655 /nfs/dbraw/zinc/80/16/55/565801655.db2.gz IMCGQEGCUISJLK-RUZDIDTESA-N 0 1 376.507 3.160 20 0 GGADMN Cc1ccc(I)cc1NC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000332045318 565802017 /nfs/dbraw/zinc/80/20/17/565802017.db2.gz VQYBVVSYNXQPFF-SNVBAGLBSA-N 0 1 397.216 3.079 20 0 GGADMN Cc1ccc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc1Br ZINC000176796211 565804063 /nfs/dbraw/zinc/80/40/63/565804063.db2.gz DYAUWLZLMIKWTM-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN CC[C@@H](C)NS(=O)(=O)c1scc(Br)c1Br ZINC000176811631 565805131 /nfs/dbraw/zinc/80/51/31/565805131.db2.gz FBBHZPYRWKBXJS-RXMQYKEDSA-N 0 1 377.123 3.350 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332110469 565806483 /nfs/dbraw/zinc/80/64/83/565806483.db2.gz ARXRBUJNPLYQFU-VHSXEESVSA-N 0 1 386.235 3.256 20 0 GGADMN O=C(CCc1cc(F)ccc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332109104 565806709 /nfs/dbraw/zinc/80/67/09/565806709.db2.gz AIHKLLMEJSYNIS-LLVKDONJSA-N 0 1 398.232 3.016 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1Br)NC1(c2nnc[nH]2)CCC1 ZINC000194296161 565806989 /nfs/dbraw/zinc/80/69/89/565806989.db2.gz BFQYVFKDENQNOQ-UHFFFAOYSA-N 0 1 399.676 3.185 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000194292464 565807126 /nfs/dbraw/zinc/80/71/26/565807126.db2.gz QNYPPXNDKPJHRC-UHFFFAOYSA-N 0 1 385.649 3.038 20 0 GGADMN C[C@@H]1CCc2nc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)sc2C1 ZINC000332128601 565808506 /nfs/dbraw/zinc/80/85/06/565808506.db2.gz DHVZMOHOOPWXSX-SECBINFHSA-N 0 1 383.470 3.031 20 0 GGADMN CC[C@]1(CO)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332145272 565809440 /nfs/dbraw/zinc/80/94/40/565809440.db2.gz QTWMNSBCRCOIHE-QGZVFWFLSA-N 0 1 378.270 3.216 20 0 GGADMN CC(C)N(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@@H]1CCOC1 ZINC000332157924 565810384 /nfs/dbraw/zinc/81/03/84/565810384.db2.gz RXHVQSDVHOPUIY-CYBMUJFWSA-N 0 1 378.270 3.479 20 0 GGADMN Cc1cc([C@@H](C)NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c(C)s1 ZINC000283183756 565811684 /nfs/dbraw/zinc/81/16/84/565811684.db2.gz AFCGZQNFUHBPAM-IUODEOHRSA-N 0 1 379.551 3.023 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CCN1CC(C)(C)O ZINC000332176572 565812628 /nfs/dbraw/zinc/81/26/28/565812628.db2.gz CWLHIFDWAUMCRO-NSHDSACASA-N 0 1 384.307 3.392 20 0 GGADMN O=C(CSc1cccc(Br)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332175437 565812848 /nfs/dbraw/zinc/81/28/48/565812848.db2.gz MKBAXAVUDSGGLO-JTQLQIEISA-N 0 1 398.282 3.036 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332183173 565813584 /nfs/dbraw/zinc/81/35/84/565813584.db2.gz NOWXGYRAHMCPKN-ZJUUUORDSA-N 0 1 386.235 3.256 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176912876 565813885 /nfs/dbraw/zinc/81/38/85/565813885.db2.gz MQEXONWUCCKPHL-NSHDSACASA-N 0 1 396.260 3.451 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)COc2ccc(Br)cc2F)c1 ZINC000176916282 565813934 /nfs/dbraw/zinc/81/39/34/565813934.db2.gz BQFVEMSBPVZJGX-UHFFFAOYSA-N 0 1 382.233 3.062 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332180818 565814164 /nfs/dbraw/zinc/81/41/64/565814164.db2.gz RWJMLYHFHBLLMM-DGCLKSJQSA-N 0 1 394.269 3.123 20 0 GGADMN O=S(=O)(Cc1n[nH]c(C2CC2)n1)Cc1ccc(Br)cc1Cl ZINC000194418877 565814284 /nfs/dbraw/zinc/81/42/84/565814284.db2.gz SIYPVIZUCQETQF-UHFFFAOYSA-N 0 1 390.690 3.213 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176912886 565814317 /nfs/dbraw/zinc/81/43/17/565814317.db2.gz MQEXONWUCCKPHL-LLVKDONJSA-N 0 1 396.260 3.451 20 0 GGADMN O=C(CCSc1nc2ccc(Cl)cc2[nH]1)NC(=O)NCC(F)(F)F ZINC000176928229 565814415 /nfs/dbraw/zinc/81/44/15/565814415.db2.gz LZTBLLPMABFVPQ-UHFFFAOYSA-N 0 1 380.779 3.087 20 0 GGADMN C=Cn1cc(CNc2ccc(CN3CCN(C)CC3)c(Br)c2)cn1 ZINC000194437530 565815176 /nfs/dbraw/zinc/81/51/76/565815176.db2.gz SZTUMVYLEOFGOI-UHFFFAOYSA-N 0 1 390.329 3.106 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1C ZINC000332194299 565815350 /nfs/dbraw/zinc/81/53/50/565815350.db2.gz DFDXSCFTYKOURM-VXGBXAGGSA-N 0 1 392.297 3.258 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)s1 ZINC000176921865 565815384 /nfs/dbraw/zinc/81/53/84/565815384.db2.gz MFRNGHLLPDPYAS-UHFFFAOYSA-N 0 1 379.551 3.045 20 0 GGADMN O=C(c1ccccc1)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000176949366 565817608 /nfs/dbraw/zinc/81/76/08/565817608.db2.gz 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ZINC000332259790 565823676 /nfs/dbraw/zinc/82/36/76/565823676.db2.gz AVZCUEBPZYWLGT-OAHLLOKOSA-N 0 1 391.313 3.151 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCO[C@H](c2cccs2)C1 ZINC000332261722 565823845 /nfs/dbraw/zinc/82/38/45/565823845.db2.gz DXMSLWGTLJWVDL-LBPRGKRZSA-N 0 1 393.408 3.235 20 0 GGADMN COC(=O)c1ccnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000194585217 565824589 /nfs/dbraw/zinc/82/45/89/565824589.db2.gz BFTIZHACESJQDM-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN CNC(=O)c1ccn([C@@H]2CCCN([C@H](C)c3ccccc3Br)C2)n1 ZINC000332279891 565824644 /nfs/dbraw/zinc/82/46/44/565824644.db2.gz DQZOPTDWINBLEP-ZIAGYGMSSA-N 0 1 391.313 3.403 20 0 GGADMN CSc1nn(Cc2csc(-c3ccc(Br)cc3)n2)c(=O)[nH]1 ZINC000194582901 565824712 /nfs/dbraw/zinc/82/47/12/565824712.db2.gz YMJNZFFCHKZOHV-UHFFFAOYSA-N 0 1 383.296 3.228 20 0 GGADMN O=C(c1cccc(Br)c1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332286114 565825786 /nfs/dbraw/zinc/82/57/86/565825786.db2.gz FSCYFXOZHJNHAR-MRVPVSSYSA-N 0 1 386.633 3.211 20 0 GGADMN Cc1nc([C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n[nH]1 ZINC000412982779 565826916 /nfs/dbraw/zinc/82/69/16/565826916.db2.gz ZWJMSPIMGIAGCW-ZYHUDNBSSA-N 0 1 376.511 3.465 20 0 GGADMN Brc1ccc(-c2nnc(SCCN3CCCOCC3)o2)cc1 ZINC000412979228 565827308 /nfs/dbraw/zinc/82/73/08/565827308.db2.gz CKXFFRREFJURAP-UHFFFAOYSA-N 0 1 384.299 3.314 20 0 GGADMN FC(F)(F)c1cc(Cl)c2nnc(SCCN3CCCOCC3)n2c1 ZINC000412981746 565827418 /nfs/dbraw/zinc/82/74/18/565827418.db2.gz GPTGGIZNMUTPPU-UHFFFAOYSA-N 0 1 380.823 3.216 20 0 GGADMN COc1ccnc(NS(=O)(=O)Cc2ccc(Cl)cc2Br)c1 ZINC000194633490 565827553 /nfs/dbraw/zinc/82/75/53/565827553.db2.gz BSZYFSIQSDADBU-UHFFFAOYSA-N 0 1 391.674 3.448 20 0 GGADMN C[C@H]1CN(CCSc2nc(-c3ccccc3Br)n[nH]2)CCO1 ZINC000412983254 565828543 /nfs/dbraw/zinc/82/85/43/565828543.db2.gz MPEIOATVYORHFE-NSHDSACASA-N 0 1 383.315 3.047 20 0 GGADMN CCCNC(=O)C1(NCC(=O)Nc2ccccc2Br)CCCCC1 ZINC000177120454 565829669 /nfs/dbraw/zinc/82/96/69/565829669.db2.gz GHTXGXDBQSIBHQ-UHFFFAOYSA-N 0 1 396.329 3.206 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000194674582 565830044 /nfs/dbraw/zinc/83/00/44/565830044.db2.gz RMVYOUVLDSZMEW-ZDUSSCGKSA-N 0 1 381.881 3.236 20 0 GGADMN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332349818 565831064 /nfs/dbraw/zinc/83/10/64/565831064.db2.gz QMASBEDYMCDUAW-SUMWQHHRSA-N 0 1 392.297 3.462 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C[C@@H]4CCCO4)n3)n2)c1 ZINC000283832725 565832300 /nfs/dbraw/zinc/83/23/00/565832300.db2.gz JTIYOEGSEPLURC-NSHDSACASA-N 0 1 376.214 3.006 20 0 GGADMN C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1nnc[nH]1 ZINC000177187742 565834162 /nfs/dbraw/zinc/83/41/62/565834162.db2.gz PZZVPLXBTISKLX-QMMMGPOBSA-N 0 1 382.207 3.170 20 0 GGADMN [NH3+]C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CCCC1 ZINC000194775152 565835688 /nfs/dbraw/zinc/83/56/88/565835688.db2.gz UGDOLEVQYCJXON-GFCCVEGCSA-N 0 1 399.713 3.037 20 0 GGADMN [NH3+]C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CCCC1 ZINC000194775139 565835786 /nfs/dbraw/zinc/83/57/86/565835786.db2.gz UGDOLEVQYCJXON-LBPRGKRZSA-N 0 1 399.713 3.037 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000177211995 565835849 /nfs/dbraw/zinc/83/58/49/565835849.db2.gz BNCJEOKMWVAFQV-UHFFFAOYSA-N 0 1 384.284 3.324 20 0 GGADMN COC(=O)c1cn(C2CCN(CCc3cc(Cl)cc(Cl)c3)CC2)nn1 ZINC000194778986 565836287 /nfs/dbraw/zinc/83/62/87/565836287.db2.gz WMRKHSOILBWXPW-UHFFFAOYSA-N 0 1 383.279 3.251 20 0 GGADMN O=S1(=O)CCC[C@H](CN(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 ZINC000283949615 565836420 /nfs/dbraw/zinc/83/64/20/565836420.db2.gz DITYEXNRETZJKX-QZTJIDSGSA-N 0 1 379.547 3.109 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332435712 565836749 /nfs/dbraw/zinc/83/67/49/565836749.db2.gz HAGLLRHSIDNAAJ-MAUKXSAKSA-N 0 1 394.313 3.210 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332431829 565836831 /nfs/dbraw/zinc/83/68/31/565836831.db2.gz ZLLOBJZGWYGCAL-PWSUYJOCSA-N 0 1 380.242 3.047 20 0 GGADMN O=C(CCc1nc[nH]n1)NC1(c2cccc(Br)c2)CCCCC1 ZINC000177236754 565836970 /nfs/dbraw/zinc/83/69/70/565836970.db2.gz CZVBQDBALBXRMW-UHFFFAOYSA-N 0 1 377.286 3.476 20 0 GGADMN O=C(CCc1nc[nH]n1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000177224297 565837447 /nfs/dbraw/zinc/83/74/47/565837447.db2.gz UBWIEOFNPOWKRP-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2ccc(OC)nc2)c(C(F)(F)F)c1 ZINC000194796508 565838687 /nfs/dbraw/zinc/83/86/87/565838687.db2.gz GCDFKVVFFGGFCE-UHFFFAOYSA-N 0 1 376.356 3.309 20 0 GGADMN CC[C@H](N=c1ccc(C(=O)N(C)C)n[nH]1)c1cc(F)cc(Br)c1 ZINC000413231629 565840757 /nfs/dbraw/zinc/84/07/57/565840757.db2.gz NOYYUZBQMBDYCV-ZDUSSCGKSA-N 0 1 381.249 3.065 20 0 GGADMN CC[C@@H](N=c1ccc(C(=O)N(C)C)n[nH]1)c1cc(F)cc(Br)c1 ZINC000413231627 565840797 /nfs/dbraw/zinc/84/07/97/565840797.db2.gz NOYYUZBQMBDYCV-CYBMUJFWSA-N 0 1 381.249 3.065 20 0 GGADMN CCOC[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332528132 565842607 /nfs/dbraw/zinc/84/26/07/565842607.db2.gz TZFFQHZVWSNRPP-GFCCVEGCSA-N 0 1 393.281 3.179 20 0 GGADMN NC(=O)CC1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000332535962 565843195 /nfs/dbraw/zinc/84/31/95/565843195.db2.gz YLEIRGCXIKEZFH-UHFFFAOYSA-N 0 1 392.253 3.068 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000332555357 565843890 /nfs/dbraw/zinc/84/38/90/565843890.db2.gz NFTRZVKTPCBKNL-CHWSQXEVSA-N 0 1 393.347 3.079 20 0 GGADMN CC(C)[C@@](C)(NC(=O)[C@H]1CCc2[nH]nnc2C1)c1ccc(Br)cc1 ZINC000332564413 565844315 /nfs/dbraw/zinc/84/43/15/565844315.db2.gz AJFZBCQNRSMKGJ-KPZWWZAWSA-N 0 1 391.313 3.360 20 0 GGADMN CC(C)[C@@](C)(NC(=O)[C@H]1CCc2nn[nH]c2C1)c1ccc(Br)cc1 ZINC000332564413 565844321 /nfs/dbraw/zinc/84/43/21/565844321.db2.gz AJFZBCQNRSMKGJ-KPZWWZAWSA-N 0 1 391.313 3.360 20 0 GGADMN O=S1(=O)CCC[C@H](CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000284155076 565844448 /nfs/dbraw/zinc/84/44/48/565844448.db2.gz PROTVWWJDJWTIY-CYBMUJFWSA-N 0 1 382.913 3.485 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284188477 565845886 /nfs/dbraw/zinc/84/58/86/565845886.db2.gz BAXTWFZKYZDDNO-ZDUSSCGKSA-N 0 1 399.969 3.225 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1C ZINC000332600214 565846407 /nfs/dbraw/zinc/84/64/07/565846407.db2.gz MKFQKSGWQOXFRF-VXGBXAGGSA-N 0 1 392.301 3.339 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2ccc3nccnc3c2Br)C[C@H]1C ZINC000332600211 565846638 /nfs/dbraw/zinc/84/66/38/565846638.db2.gz MKFQKSGWQOXFRF-NEPJUHHUSA-N 0 1 392.301 3.339 20 0 GGADMN O=C1[C@@H](Nc2ccc3cc(Br)c(F)cc3n2)C[C@@H]2CCCCN12 ZINC000413381349 565849693 /nfs/dbraw/zinc/84/96/93/565849693.db2.gz OBNXYWHNWHNXJT-NHYWBVRUSA-N 0 1 378.245 3.124 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194940521 565849673 /nfs/dbraw/zinc/84/96/73/565849673.db2.gz NVBQMLWFDLINDK-GFCCVEGCSA-N 0 1 395.301 3.286 20 0 GGADMN O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc2[nH]nnc2c1 ZINC000194942842 565849767 /nfs/dbraw/zinc/84/97/67/565849767.db2.gz YZDVCXKRUKGQDF-UHFFFAOYSA-N 0 1 397.179 3.252 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)[C@@H]1CCC(=O)N1 ZINC000177434887 565850534 /nfs/dbraw/zinc/85/05/34/565850534.db2.gz VCNOOVULAOVNBM-AWEZNQCLSA-N 0 1 399.248 3.210 20 0 GGADMN COC(=O)[C@@]1(C)CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000177433374 565850637 /nfs/dbraw/zinc/85/06/37/565850637.db2.gz HWIOCEPQQNNZFZ-KRWDZBQOSA-N 0 1 379.254 3.489 20 0 GGADMN COc1c(NC2CCN(CCC(F)(F)F)CC2)cc(Cl)cc1C(N)=O ZINC000284384009 565851799 /nfs/dbraw/zinc/85/17/99/565851799.db2.gz OQUSLIZKXIFKCI-UHFFFAOYSA-N 0 1 379.810 3.276 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)c2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000284404396 565852274 /nfs/dbraw/zinc/85/22/74/565852274.db2.gz PYUYNNMKRLKGGQ-SNVBAGLBSA-N 0 1 381.274 3.328 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(Br)cc2nc[nH]c21 ZINC000332692696 565853228 /nfs/dbraw/zinc/85/32/28/565853228.db2.gz UUYHQRPWUJSJLX-LYRGGWFBSA-N 0 1 390.281 3.403 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@H](C)N1C ZINC000332699365 565853277 /nfs/dbraw/zinc/85/32/77/565853277.db2.gz SEGYPIKEBWRZNG-BETUJISGSA-N 0 1 392.301 3.191 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)CSc2n[n-]c(=S)s2)CC[N@H+]1Cc1ccccc1 ZINC000177476355 565853708 /nfs/dbraw/zinc/85/37/08/565853708.db2.gz VDSOCXDVTRISAO-OCCSQVGLSA-N 0 1 394.591 3.462 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(Cl)s1 ZINC000177489331 565854648 /nfs/dbraw/zinc/85/46/48/565854648.db2.gz UNHAZEVGZICQIU-SNVBAGLBSA-N 0 1 380.901 3.445 20 0 GGADMN O=C1NCCN1C1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284502829 565856669 /nfs/dbraw/zinc/85/66/69/565856669.db2.gz XUKNXSWTAUZRTN-UHFFFAOYSA-N 0 1 376.913 3.453 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ncccc1Br ZINC000195079897 565858684 /nfs/dbraw/zinc/85/86/84/565858684.db2.gz WVLQZRHDWGGHLP-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2cnc(-c3cccs3)s2)cc1 ZINC000177572989 565859691 /nfs/dbraw/zinc/85/96/91/565859691.db2.gz RLZKKACTXBLLFW-UHFFFAOYSA-N 0 1 393.559 3.248 20 0 GGADMN O=C(COCc1ccccc1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000195123764 565861088 /nfs/dbraw/zinc/86/10/88/565861088.db2.gz VTGLITIICHGHCG-UHFFFAOYSA-N 0 1 387.237 3.390 20 0 GGADMN O[C@@H](COc1ccc(Br)cc1)CN(Cc1ccccn1)C1CC1 ZINC000195132121 565861351 /nfs/dbraw/zinc/86/13/51/565861351.db2.gz PKBHKXKNIBYRHZ-QGZVFWFLSA-N 0 1 377.282 3.248 20 0 GGADMN COc1ccc(Cl)cc1CS(=O)(=O)c1n[nH]c(Cc2cccs2)n1 ZINC000195161618 565861910 /nfs/dbraw/zinc/86/19/10/565861910.db2.gz OFSAOUMJNPMXAT-UHFFFAOYSA-N 0 1 383.882 3.093 20 0 GGADMN COc1ccc(CS(=O)(=O)c2n[nH]c(Cc3cccs3)n2)cc1Cl ZINC000195160566 565862837 /nfs/dbraw/zinc/86/28/37/565862837.db2.gz NYGNWCKRNPVDNJ-UHFFFAOYSA-N 0 1 383.882 3.093 20 0 GGADMN C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1n[nH]c(Cc2cccs2)n1 ZINC000195159153 565862871 /nfs/dbraw/zinc/86/28/71/565862871.db2.gz CDGMYOORSNRHSR-SNVBAGLBSA-N 0 1 380.495 3.277 20 0 GGADMN CO[C@](C)([C@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000413604651 565862854 /nfs/dbraw/zinc/86/28/54/565862854.db2.gz NAQFSYQXJCFZHY-DYZYQPBXSA-N 0 1 395.301 3.328 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]2C1 ZINC000333094225 565864629 /nfs/dbraw/zinc/86/46/29/565864629.db2.gz CWTZJXGFBINFKS-GARJFASQSA-N 0 1 384.299 3.153 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2cccc(Br)c2Cl)n[nH]1 ZINC000413652282 565864778 /nfs/dbraw/zinc/86/47/78/565864778.db2.gz IHGPEXFLBKRSSA-QMMMGPOBSA-N 0 1 386.681 3.343 20 0 GGADMN O=C(NC[C@@H]1CCOC2(CCC2)C1)c1n[nH]c2ccc(Br)cc21 ZINC000333080564 565864959 /nfs/dbraw/zinc/86/49/59/565864959.db2.gz LZGHJZKIWSNRNM-LLVKDONJSA-N 0 1 378.270 3.405 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sc1C ZINC000333107721 565865705 /nfs/dbraw/zinc/86/57/05/565865705.db2.gz DVHQWCOZEHMQNC-ZFWWWQNUSA-N 0 1 385.580 3.183 20 0 GGADMN COCC[C@@H](NCC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000284680374 565865988 /nfs/dbraw/zinc/86/59/88/565865988.db2.gz HJZVJGWXRZYSMQ-QGZVFWFLSA-N 0 1 382.291 3.372 20 0 GGADMN O=S(=O)(N1CCCCC1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333110633 565866151 /nfs/dbraw/zinc/86/61/51/565866151.db2.gz DYVJBIASZZXQAM-INIZCTEOSA-N 0 1 382.917 3.474 20 0 GGADMN CN(C)CCN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000177683218 565866374 /nfs/dbraw/zinc/86/63/74/565866374.db2.gz LVSNTUWUNHZQTG-UHFFFAOYSA-N 0 1 389.293 3.314 20 0 GGADMN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333131355 565868204 /nfs/dbraw/zinc/86/82/04/565868204.db2.gz HYDVAABKXBVCMS-KNXALSJPSA-N 0 1 383.901 3.251 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2Br)C1 ZINC000195238245 565868459 /nfs/dbraw/zinc/86/84/59/565868459.db2.gz DKUSRYPZQRZUIA-ZDUSSCGKSA-N 0 1 399.329 3.205 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000195256167 565869542 /nfs/dbraw/zinc/86/95/42/565869542.db2.gz YXYSRUOGDINITE-MJGOQNOKSA-N 0 1 389.293 3.223 20 0 GGADMN C[C@](N)(C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000195262351 565870950 /nfs/dbraw/zinc/87/09/50/565870950.db2.gz GCLLWRHLGGQWLM-IEBWSBKVSA-N 0 1 389.293 3.223 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCc2c(Br)cccc2C1 ZINC000195267160 565871113 /nfs/dbraw/zinc/87/11/13/565871113.db2.gz RSJZHXYQKJRTAZ-UHFFFAOYSA-N 0 1 377.286 3.181 20 0 GGADMN O=S(=O)(C[C@H]1CCCO1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333223361 565871334 /nfs/dbraw/zinc/87/13/34/565871334.db2.gz WZZCSPAGELQZTI-CJNGLKHVSA-N 0 1 383.901 3.252 20 0 GGADMN O=S(=O)(C[C@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333223362 565871884 /nfs/dbraw/zinc/87/18/84/565871884.db2.gz WZZCSPAGELQZTI-CZUORRHYSA-N 0 1 383.901 3.252 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177754878 565871871 /nfs/dbraw/zinc/87/18/71/565871871.db2.gz ILJLVMBWKIDVCT-CYBMUJFWSA-N 0 1 386.323 3.117 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177755042 565871916 /nfs/dbraw/zinc/87/19/16/565871916.db2.gz XXPFXJMJVUFPEM-CYBMUJFWSA-N 0 1 386.323 3.117 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCSc2c(F)cccc21)NCc1ccccc1 ZINC000177771680 565872447 /nfs/dbraw/zinc/87/24/47/565872447.db2.gz UUTVPECLFWKIEB-QGZVFWFLSA-N 0 1 380.510 3.072 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Cl)cc2Br)C1 ZINC000177766092 565872932 /nfs/dbraw/zinc/87/29/32/565872932.db2.gz MKPHPPDYTQRILW-CYBMUJFWSA-N 0 1 389.721 3.189 20 0 GGADMN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1c(O)cc(Cl)cc1Cl ZINC000333249193 565874106 /nfs/dbraw/zinc/87/41/06/565874106.db2.gz JYKBPQXWOAMREV-GFCCVEGCSA-N 0 1 386.279 3.109 20 0 GGADMN O=S1(=O)CCCN1CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000333252643 565874158 /nfs/dbraw/zinc/87/41/58/565874158.db2.gz YQQGRUNIINSPLD-UHFFFAOYSA-N 0 1 399.969 3.165 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413823335 565875631 /nfs/dbraw/zinc/87/56/31/565875631.db2.gz VIZNGWCXZSCVKU-ZDUSSCGKSA-N 0 1 395.297 3.080 20 0 GGADMN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N[C@@H]1CCc2nc[nH]c2C1 ZINC000333311663 565877074 /nfs/dbraw/zinc/87/70/74/565877074.db2.gz DYUVKYXWFYGOJZ-NOZJJQNGSA-N 0 1 393.260 3.155 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333355778 565878546 /nfs/dbraw/zinc/87/85/46/565878546.db2.gz CAMAHAPQGJJTTM-UHFFFAOYSA-N 0 1 389.297 3.035 20 0 GGADMN O=C(Nc1ccc(Br)nc1)NC1CCN(Cc2ccccn2)CC1 ZINC000177875091 565878801 /nfs/dbraw/zinc/87/88/01/565878801.db2.gz ZGVXODXRAQYFRE-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN C[C@@H](CC(=O)N1CCCCCC1)NCC(=O)Nc1ccc(Br)cc1 ZINC000177908018 565879948 /nfs/dbraw/zinc/87/99/48/565879948.db2.gz NKLRQWDFUSLXBI-AWEZNQCLSA-N 0 1 396.329 3.158 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000195395333 565880594 /nfs/dbraw/zinc/88/05/94/565880594.db2.gz HAPOPZUQVBZKLH-INIZCTEOSA-N 0 1 376.254 3.263 20 0 GGADMN COc1cc(Br)c(S(=O)(=O)Nc2ccncc2)cc1Cl ZINC000177922326 565880963 /nfs/dbraw/zinc/88/09/63/565880963.db2.gz WAKTZITUIGWWOB-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN Cc1cc([C@H]2CCCN(S(=O)(=O)C3CCC(C(F)(F)F)CC3)C2)n[nH]1 ZINC000333423877 565881638 /nfs/dbraw/zinc/88/16/38/565881638.db2.gz MLJATRFJESEZJO-HSBZDZAISA-N 0 1 379.448 3.348 20 0 GGADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000285002351 565882087 /nfs/dbraw/zinc/88/20/87/565882087.db2.gz NHSXXSDXFDWMNA-AWEZNQCLSA-N 0 1 394.269 3.018 20 0 GGADMN CCN(Cc1cccc(NS(=O)(=O)c2ccsc2)c1)C(=O)C(F)(F)F ZINC000285020294 565883892 /nfs/dbraw/zinc/88/38/92/565883892.db2.gz GWIVELDUAAHJMV-UHFFFAOYSA-N 0 1 392.424 3.460 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCN1 ZINC000333507656 565884526 /nfs/dbraw/zinc/88/45/26/565884526.db2.gz DZZYWILAFJAFKQ-BZNIZROVSA-N 0 1 391.313 3.311 20 0 GGADMN COCCc1ccnc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000285048795 565885432 /nfs/dbraw/zinc/88/54/32/565885432.db2.gz JUNIZDPRZQJZPR-UHFFFAOYSA-N 0 1 378.347 3.229 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCc2c(Br)cccc2C1 ZINC000195464051 565885954 /nfs/dbraw/zinc/88/59/54/565885954.db2.gz YLBZJTHLZGOILL-UHFFFAOYSA-N 0 1 383.245 3.489 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cscc1Br ZINC000285065701 565885981 /nfs/dbraw/zinc/88/59/81/565885981.db2.gz JRKSEJZNVANFOZ-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN Brc1cc2c(cc1CN[C@H]1CCO[C@@H]1c1cccnc1)OCO2 ZINC000285076311 565886690 /nfs/dbraw/zinc/88/66/90/565886690.db2.gz PMNHEOGEGKRSPO-WMLDXEAASA-N 0 1 377.238 3.193 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000177996108 565887450 /nfs/dbraw/zinc/88/74/50/565887450.db2.gz XNLNTAOBAKOTCA-KRWDZBQOSA-N 0 1 380.510 3.239 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2cnc3ccsc3c2)cc1 ZINC000177996408 565888192 /nfs/dbraw/zinc/88/81/92/565888192.db2.gz VBXAVOYATCCKNP-CQSZACIVSA-N 0 1 375.519 3.234 20 0 GGADMN C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000414031522 565888778 /nfs/dbraw/zinc/88/87/78/565888778.db2.gz FZZMORVSULJXBA-WCQYABFASA-N 0 1 378.270 3.072 20 0 GGADMN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000195504811 565889318 /nfs/dbraw/zinc/88/93/18/565889318.db2.gz GBUVOHYGHAWEDZ-XMMPIXPASA-N 0 1 379.503 3.079 20 0 GGADMN Cc1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000195584071 565890644 /nfs/dbraw/zinc/89/06/44/565890644.db2.gz FABDSNUKJOASNC-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285164070 565891145 /nfs/dbraw/zinc/89/11/45/565891145.db2.gz SPTMCVUTFTZZHP-MRXNPFEDSA-N 0 1 385.295 3.380 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000195638521 565891137 /nfs/dbraw/zinc/89/11/37/565891137.db2.gz OFMMOTNZZNPRGJ-UHFFFAOYSA-N 0 1 397.313 3.372 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCCN1CCOc1cc(Cl)ccc1Cl ZINC000195666671 565891566 /nfs/dbraw/zinc/89/15/66/565891566.db2.gz TZRGTXXBNOHNBY-AWEZNQCLSA-N 0 1 395.352 3.166 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccsc1 ZINC000178046423 565891803 /nfs/dbraw/zinc/89/18/03/565891803.db2.gz OJVHJWCWNVTLNK-RHSMWYFYSA-N 0 1 380.535 3.056 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccsc1 ZINC000178046384 565892214 /nfs/dbraw/zinc/89/22/14/565892214.db2.gz OJVHJWCWNVTLNK-YOEHRIQHSA-N 0 1 380.535 3.056 20 0 GGADMN C[C@H]1[C@H](CO)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000414083377 565893099 /nfs/dbraw/zinc/89/30/99/565893099.db2.gz VMIARFYGMAMJQU-AAEUAGOBSA-N 0 1 378.270 3.072 20 0 GGADMN COC(=O)c1cnc([C@@H](C)NCCC2CCN(CC(F)(F)F)CC2)s1 ZINC000414097660 565894315 /nfs/dbraw/zinc/89/43/15/565894315.db2.gz IKKJKAQIGDCQHK-LLVKDONJSA-N 0 1 379.448 3.245 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1OC ZINC000285214660 565894836 /nfs/dbraw/zinc/89/48/36/565894836.db2.gz XEQMLAREDHEZTK-SECBINFHSA-N 0 1 389.832 3.350 20 0 GGADMN COC(=O)c1cnc([C@H](C)NC[C@@H](CO)Cc2c(F)cccc2Cl)s1 ZINC000414120703 565896365 /nfs/dbraw/zinc/89/63/65/565896365.db2.gz YEBGSLVBJYFTTJ-QWRGUYRKSA-N 0 1 386.876 3.224 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178117646 565897437 /nfs/dbraw/zinc/89/74/37/565897437.db2.gz PDRSGORYNSETFU-NUEKZKHPSA-N 0 1 383.319 3.278 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178118048 565897477 /nfs/dbraw/zinc/89/74/77/565897477.db2.gz ISNIHYBVNZCCKV-IAOVAPTHSA-N 0 1 383.319 3.278 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000414137620 565897738 /nfs/dbraw/zinc/89/77/38/565897738.db2.gz GARMKHPUHOPIAF-RLFDGXBXSA-N 0 1 381.245 3.250 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(O)c(Br)c1)c1cccs1 ZINC000178103792 565898026 /nfs/dbraw/zinc/89/80/26/565898026.db2.gz RWPBDEOMURYNDI-ZDUSSCGKSA-N 0 1 398.326 3.318 20 0 GGADMN COC(=O)c1cnc([C@@H](C)NCCc2ccc(OC)c(OC)c2Cl)s1 ZINC000414133073 565897978 /nfs/dbraw/zinc/89/79/78/565897978.db2.gz GJANAWSRYZYDNR-SNVBAGLBSA-N 0 1 384.885 3.494 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000414137627 565898374 /nfs/dbraw/zinc/89/83/74/565898374.db2.gz GARMKHPUHOPIAF-VGTOOOLASA-N 0 1 381.245 3.250 20 0 GGADMN O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178125607 565898995 /nfs/dbraw/zinc/89/89/95/565898995.db2.gz JLQVTDXDAOJENS-BPUTZDHNSA-N 0 1 383.319 3.278 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1Br ZINC000333863496 565900049 /nfs/dbraw/zinc/90/00/49/565900049.db2.gz SFBMUJMZCMVEHW-YPMHNXCESA-N 0 1 382.302 3.156 20 0 GGADMN Cc1nc2sccn2c(=O)c1CCN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000285310561 565900323 /nfs/dbraw/zinc/90/03/23/565900323.db2.gz MTTJUONFOILQCS-SECBINFHSA-N 0 1 388.440 3.433 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccccc1S(C)(=O)=O ZINC000414225774 565904078 /nfs/dbraw/zinc/90/40/78/565904078.db2.gz BKVRVBRHJBIONV-CYBMUJFWSA-N 0 1 380.897 3.250 20 0 GGADMN CO[C@@](C)([C@H](C)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000414232594 565905469 /nfs/dbraw/zinc/90/54/69/565905469.db2.gz IDWNHWRJPJMKOD-LSYCYVAJSA-N 0 1 395.352 3.495 20 0 GGADMN CN(C)[C@@H](CNCc1ncc(I)s1)c1cccs1 ZINC000285418935 565905819 /nfs/dbraw/zinc/90/58/19/565905819.db2.gz JNKHHOBPMACHAI-VIFPVBQESA-N 0 1 393.319 3.202 20 0 GGADMN C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000414279924 565908030 /nfs/dbraw/zinc/90/80/30/565908030.db2.gz BSFMVCARCSKOBN-JTQLQIEISA-N 0 1 390.839 3.440 20 0 GGADMN CCOc1cc(CNCC2(S(C)(=O)=O)CCCC2)cc(Cl)c1OC ZINC000285451901 565908121 /nfs/dbraw/zinc/90/81/21/565908121.db2.gz JBMKHYHKVCHDOR-UHFFFAOYSA-N 0 1 375.918 3.194 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000334016613 565908412 /nfs/dbraw/zinc/90/84/12/565908412.db2.gz ZKLRSRIEIWZCMX-GUTXKFCHSA-N 0 1 390.281 3.072 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1Cl ZINC000414283276 565908690 /nfs/dbraw/zinc/90/86/90/565908690.db2.gz OWTCLRGCCBFROC-AWEZNQCLSA-N 0 1 386.901 3.453 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1Cl ZINC000414314164 565909302 /nfs/dbraw/zinc/90/93/02/565909302.db2.gz KZFKWPCGGVZGDT-OAHLLOKOSA-N 0 1 384.860 3.130 20 0 GGADMN COC1([C@H](C)N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1 ZINC000414298930 565910061 /nfs/dbraw/zinc/91/00/61/565910061.db2.gz HOODUEZSRDHLPR-FZMZJTMJSA-N 0 1 388.327 3.215 20 0 GGADMN COc1ccc(CNCc2ccc(NS(C)(=O)=O)cc2)c(Br)c1 ZINC000285489304 565910040 /nfs/dbraw/zinc/91/00/40/565910040.db2.gz PERWXCWPLGWRQM-UHFFFAOYSA-N 0 1 399.310 3.119 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000334016615 565910116 /nfs/dbraw/zinc/91/01/16/565910116.db2.gz ZKLRSRIEIWZCMX-KCQAQPDRSA-N 0 1 390.281 3.072 20 0 GGADMN Ic1cnc(CNC[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000285502492 565910209 /nfs/dbraw/zinc/91/02/09/565910209.db2.gz QGQNHMGCSBANAX-LBPRGKRZSA-N 0 1 399.301 3.364 20 0 GGADMN CS(=O)(=O)c1ccc(CNCCOc2ccc(Br)cc2)s1 ZINC000414323516 565910633 /nfs/dbraw/zinc/91/06/33/565910633.db2.gz HELZMGUJXAYZCG-UHFFFAOYSA-N 0 1 390.324 3.083 20 0 GGADMN CCOc1cccc(CNCC2(S(C)(=O)=O)CCCC2)c1OC(F)F ZINC000285480763 565910666 /nfs/dbraw/zinc/91/06/66/565910666.db2.gz LMTSUWMYJZLLHK-UHFFFAOYSA-N 0 1 377.453 3.134 20 0 GGADMN Ic1cnc(CNCCCn2cnc3ccccc32)s1 ZINC000285518549 565911477 /nfs/dbraw/zinc/91/14/77/565911477.db2.gz RKZHZTUOLMDLPN-UHFFFAOYSA-N 0 1 398.273 3.277 20 0 GGADMN CC[C@H](C[C@H](C)CO)NCc1c(Br)cncc1Br ZINC000414366154 565915760 /nfs/dbraw/zinc/91/57/60/565915760.db2.gz PVEUHFFQVFFCJT-VHSXEESVSA-N 0 1 380.124 3.493 20 0 GGADMN CC[C@H](C[C@@H](C)CO)NCc1c(Br)cncc1Br ZINC000414366152 565915994 /nfs/dbraw/zinc/91/59/94/565915994.db2.gz PVEUHFFQVFFCJT-NXEZZACHSA-N 0 1 380.124 3.493 20 0 GGADMN CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cccn3C)cc2s1 ZINC000414369138 565916767 /nfs/dbraw/zinc/91/67/67/565916767.db2.gz IIHLZCWSLJFDAD-UHFFFAOYSA-N 0 1 378.479 3.174 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000414373578 565917226 /nfs/dbraw/zinc/91/72/26/565917226.db2.gz MUHZEKUVGMCJJT-UHFFFAOYSA-N 0 1 387.910 3.036 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc(CS(C)(=O)=O)c1C ZINC000414377286 565918512 /nfs/dbraw/zinc/91/85/12/565918512.db2.gz WLPLEBQXPQSNLZ-UHFFFAOYSA-N 0 1 387.910 3.302 20 0 GGADMN CN(Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COCc1ccccc1Cl ZINC000178427138 565918591 /nfs/dbraw/zinc/91/85/91/565918591.db2.gz KAUQFYUJTSUEBS-SSOJOUAXSA-N 0 1 381.925 3.087 20 0 GGADMN Cc1nn(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c1C(F)F ZINC000414380177 565920079 /nfs/dbraw/zinc/92/00/79/565920079.db2.gz FXXLDGNOOWFRHY-UHFFFAOYSA-N 0 1 384.330 3.189 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000414384598 565920326 /nfs/dbraw/zinc/92/03/26/565920326.db2.gz CNLYMRBZRJDMIZ-UHFFFAOYSA-N 0 1 390.839 3.359 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(OC)c(SC)c1 ZINC000414386706 565920656 /nfs/dbraw/zinc/92/06/56/565920656.db2.gz HXXJAFQBJYSSSU-UHFFFAOYSA-N 0 1 385.463 3.160 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(OC)c(SC)c3)cc12 ZINC000414385655 565920888 /nfs/dbraw/zinc/92/08/88/565920888.db2.gz FQZZDSVUGQUVND-UHFFFAOYSA-N 0 1 379.463 3.317 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)cc1SC ZINC000414390207 565922555 /nfs/dbraw/zinc/92/25/55/565922555.db2.gz VYNVTXPHCLGVJD-UHFFFAOYSA-N 0 1 387.454 3.374 20 0 GGADMN O=C1[C@H](N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1CC(F)(F)F ZINC000285707071 565922824 /nfs/dbraw/zinc/92/28/24/565922824.db2.gz WFNMLYJKSWYQIR-CHWSQXEVSA-N 0 1 385.213 3.170 20 0 GGADMN CN(Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCCc2c1cnn2C ZINC000178505877 565922947 /nfs/dbraw/zinc/92/29/47/565922947.db2.gz ZRRTYOSQMQPNEO-AWEZNQCLSA-N 0 1 378.270 3.421 20 0 GGADMN CSc1cc(C)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000414395489 565923214 /nfs/dbraw/zinc/92/32/14/565923214.db2.gz MOORAIUAFYZHNE-UHFFFAOYSA-N 0 1 385.532 3.230 20 0 GGADMN O=C1[C@H](N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1CC(F)(F)F ZINC000285707075 565923651 /nfs/dbraw/zinc/92/36/51/565923651.db2.gz WFNMLYJKSWYQIR-QWHCGFSZSA-N 0 1 385.213 3.170 20 0 GGADMN CCN(CC)[C@@H](CN1C(=O)[C@@H]2CSCCN2C1=O)c1ccccc1Cl ZINC000349274702 565925268 /nfs/dbraw/zinc/92/52/68/565925268.db2.gz CKZDSXCTGSMADP-HOTGVXAUSA-N 0 1 381.929 3.103 20 0 GGADMN CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000285771710 565926140 /nfs/dbraw/zinc/92/61/40/565926140.db2.gz NFHCIWRPCPOGHC-LBPRGKRZSA-N 0 1 375.650 3.148 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000178574872 565926749 /nfs/dbraw/zinc/92/67/49/565926749.db2.gz XZWPWFDEODOKCX-YVEFUNNKSA-N 0 1 380.897 3.423 20 0 GGADMN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178583732 565926907 /nfs/dbraw/zinc/92/69/07/565926907.db2.gz RWHSTBWFNXBVTI-GFCCVEGCSA-N 0 1 376.806 3.153 20 0 GGADMN CC(C)(CCCO)CNCc1ncc(Br)cc1Br ZINC000229604176 565927398 /nfs/dbraw/zinc/92/73/98/565927398.db2.gz BIMJFRLWBHLCBS-UHFFFAOYSA-N 0 1 380.124 3.495 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000178597841 565928092 /nfs/dbraw/zinc/92/80/92/565928092.db2.gz VKDUAIFWXKKJHL-GOSISDBHSA-N 0 1 397.357 3.453 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000234001248 565933389 /nfs/dbraw/zinc/93/33/89/565933389.db2.gz HPWNYKFXLMRYST-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN CC(C)[C@@H]1OCCC[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000178693450 565933816 /nfs/dbraw/zinc/93/38/16/565933816.db2.gz FOKSKHJPYLEMEO-RLCCDNCMSA-N 0 1 387.293 3.155 20 0 GGADMN C[C@H](C[C@@H](O)c1ccccc1)NCc1ncc(I)s1 ZINC000285958425 565934632 /nfs/dbraw/zinc/93/46/32/565934632.db2.gz MZWSERBIYNTXBH-ZYHUDNBSSA-N 0 1 388.274 3.350 20 0 GGADMN COc1c(Br)cccc1CN[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000178742103 565934675 /nfs/dbraw/zinc/93/46/75/565934675.db2.gz DZLWSJDQLXVKBX-LBPRGKRZSA-N 0 1 395.219 3.101 20 0 GGADMN CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@@H]1CCC[N@H+]1C ZINC000234313238 565935472 /nfs/dbraw/zinc/93/54/72/565935472.db2.gz ABKNJDFFLFPKFT-NSHDSACASA-N 0 1 392.135 3.443 20 0 GGADMN CC(C)c1[nH]nc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)c1Br ZINC000350346346 565935898 /nfs/dbraw/zinc/93/58/98/565935898.db2.gz BWCNLPUEDJERAW-HWPZZCPQSA-N 0 1 396.289 3.271 20 0 GGADMN OCC[C@H]1CCC[C@@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000285966685 565935920 /nfs/dbraw/zinc/93/59/20/565935920.db2.gz DMSLHPIZJMOIEM-HIFRSBDPSA-N 0 1 380.286 3.064 20 0 GGADMN COC(=O)C[C@@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000178785739 565937759 /nfs/dbraw/zinc/93/77/59/565937759.db2.gz DQGCIADWQLNZDT-LBPRGKRZSA-N 0 1 392.253 3.007 20 0 GGADMN Cc1nsc(C)c1-c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000350536122 565938050 /nfs/dbraw/zinc/93/80/50/565938050.db2.gz GUAWYAJJKFVYBL-UHFFFAOYSA-N 0 1 390.899 3.003 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 ZINC000414470024 565938900 /nfs/dbraw/zinc/93/89/00/565938900.db2.gz HULISEIEVHHXJZ-UHFFFAOYSA-N 0 1 390.839 3.359 20 0 GGADMN O=C(c1ccccc1OCc1ccccc1Br)N1CCNCC1 ZINC000236576477 565939707 /nfs/dbraw/zinc/93/97/07/565939707.db2.gz VVKULWNLDOUYFJ-UHFFFAOYSA-N 0 1 375.266 3.074 20 0 GGADMN CS(=O)(=O)CC1(CNCc2ccc(Br)cc2Cl)CCC1 ZINC000414554426 565948315 /nfs/dbraw/zinc/94/83/15/565948315.db2.gz KQLYBFHKIAPEIR-UHFFFAOYSA-N 0 1 380.735 3.407 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000178831514 565940233 /nfs/dbraw/zinc/94/02/33/565940233.db2.gz LOZOFNJZXZUAMA-UHFFFAOYSA-N 0 1 399.329 3.251 20 0 GGADMN O=C(CNC[C@H]1CCCO1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000236580014 565940121 /nfs/dbraw/zinc/94/01/21/565940121.db2.gz OOTAMXGVVLNFPG-CYBMUJFWSA-N 0 1 396.310 3.280 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)c1cc(Cn2cc(Br)cn2)on1 ZINC000178838543 565940694 /nfs/dbraw/zinc/94/06/94/565940694.db2.gz AKYBWXKBVHNZPX-UHFFFAOYSA-N 0 1 397.616 3.293 20 0 GGADMN O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000236650024 565940960 /nfs/dbraw/zinc/94/09/60/565940960.db2.gz CPODPYLWQGEUFD-GOSISDBHSA-N 0 1 385.305 3.311 20 0 GGADMN CCOC(=O)CCN(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178859463 565941223 /nfs/dbraw/zinc/94/12/23/565941223.db2.gz GASIZYWJHADIMC-UHFFFAOYSA-N 0 1 378.270 3.291 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2c(C)nc3ccccn32)c1 ZINC000414492972 565941512 /nfs/dbraw/zinc/94/15/12/565941512.db2.gz HKHJTCRZRJDQGO-UHFFFAOYSA-N 0 1 377.897 3.380 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1S(C)(=O)=O ZINC000414479210 565941646 /nfs/dbraw/zinc/94/16/46/565941646.db2.gz RHXPRUKFCBTEQR-UHFFFAOYSA-N 0 1 381.519 3.398 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccccc2NC(C)=O)c1 ZINC000414492844 565941730 /nfs/dbraw/zinc/94/17/30/565941730.db2.gz GIJQPCBOIKPZJK-UHFFFAOYSA-N 0 1 380.897 3.382 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NCc2ncc(I)s2)n[nH]1 ZINC000286100674 565942308 /nfs/dbraw/zinc/94/23/08/565942308.db2.gz TYZAJGHWLUOZGM-JGVFFNPUSA-N 0 1 391.282 3.230 20 0 GGADMN CCN(C)c1ccc(CNCc2cc(Cl)cc(S(=O)(=O)CC)c2)cn1 ZINC000414494737 565942377 /nfs/dbraw/zinc/94/23/77/565942377.db2.gz LPFCCRMYWPKRPA-UHFFFAOYSA-N 0 1 381.929 3.275 20 0 GGADMN COC(=O)[C@H](CC1CC1)NC1CCN(Cc2ccccc2Br)CC1 ZINC000414496754 565943279 /nfs/dbraw/zinc/94/32/79/565943279.db2.gz ZJXLBKLIRHZYIR-SFHVURJKSA-N 0 1 395.341 3.345 20 0 GGADMN CN(C)C(=O)[C@@H]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000414499307 565943372 /nfs/dbraw/zinc/94/33/72/565943372.db2.gz OMPVKPQNXFHLIF-LLVKDONJSA-N 0 1 395.219 3.258 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1Br ZINC000286149969 565944789 /nfs/dbraw/zinc/94/47/89/565944789.db2.gz IEHLQAJTLBSCQR-PELKAZGASA-N 0 1 381.101 3.391 20 0 GGADMN CC[C@H](NCc1ncc(Br)cc1Br)[C@@H](O)C(C)C ZINC000414525845 565945443 /nfs/dbraw/zinc/94/54/43/565945443.db2.gz KKQKKVGWHVBFCL-AAEUAGOBSA-N 0 1 380.124 3.492 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](CO)c1ccc(F)cc1 ZINC000414535793 565946474 /nfs/dbraw/zinc/94/64/74/565946474.db2.gz WUHSKKRCNSBIFC-OAHLLOKOSA-N 0 1 385.888 3.138 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000414547677 565946704 /nfs/dbraw/zinc/94/67/04/565946704.db2.gz ISDMFMQOPIJECE-INIZCTEOSA-N 0 1 391.313 3.074 20 0 GGADMN O[C@@H]1[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)CCCC1(F)F ZINC000414541621 565947072 /nfs/dbraw/zinc/94/70/72/565947072.db2.gz WORNEQJJGLKVBA-SWLSCSKDSA-N 0 1 386.240 3.478 20 0 GGADMN Cc1ccc(OC(F)F)c(CNCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000178941097 565947425 /nfs/dbraw/zinc/94/74/25/565947425.db2.gz WQVGJYYETZCJSO-UHFFFAOYSA-N 0 1 390.477 3.068 20 0 GGADMN CC1(NS(=O)(=O)c2scc(Br)c2Br)CCC1 ZINC000178975242 565949710 /nfs/dbraw/zinc/94/97/10/565949710.db2.gz KIXKMEMGVDNOHH-UHFFFAOYSA-N 0 1 389.134 3.494 20 0 GGADMN C[C@H](C[C@@H](O)c1cccs1)NCc1ncc(I)s1 ZINC000286250726 565950407 /nfs/dbraw/zinc/95/04/07/565950407.db2.gz ZZDZFZLVKLRCNT-RKDXNWHRSA-N 0 1 394.303 3.411 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000286253462 565950464 /nfs/dbraw/zinc/95/04/64/565950464.db2.gz FBKBEVBNZAZSCN-SNVBAGLBSA-N 0 1 375.885 3.234 20 0 GGADMN CCOC[C@@H](NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C(C)C ZINC000286261475 565950734 /nfs/dbraw/zinc/95/07/34/565950734.db2.gz SSKMQMRUCYVLDQ-QGZVFWFLSA-N 0 1 382.551 3.364 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000286286486 565951583 /nfs/dbraw/zinc/95/15/83/565951583.db2.gz IKJWDZIUEJRNRJ-QWHCGFSZSA-N 0 1 376.444 3.172 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(Br)cc(Br)c2)n[nH]1 ZINC000286283986 565951769 /nfs/dbraw/zinc/95/17/69/565951769.db2.gz HATIVEKMRSPNIM-LURJTMIESA-N 0 1 388.063 3.129 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)CCc2nc3cc(Br)ccc3s2)n[nH]1 ZINC000286277555 565951807 /nfs/dbraw/zinc/95/18/07/565951807.db2.gz GQAHHNZTYQFGRK-MRVPVSSYSA-N 0 1 394.298 3.295 20 0 GGADMN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000286286483 565951915 /nfs/dbraw/zinc/95/19/15/565951915.db2.gz IKJWDZIUEJRNRJ-OLZOCXBDSA-N 0 1 376.444 3.172 20 0 GGADMN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000286286488 565951949 /nfs/dbraw/zinc/95/19/49/565951949.db2.gz IKJWDZIUEJRNRJ-STQMWFEESA-N 0 1 376.444 3.172 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286296280 565952758 /nfs/dbraw/zinc/95/27/58/565952758.db2.gz OVYRRNCQNIWFQR-WCBMZHEXSA-N 0 1 393.818 3.425 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cc(C)c(Br)s2)CC1 ZINC000414651586 565953288 /nfs/dbraw/zinc/95/32/88/565953288.db2.gz GLDAIFPDXWXLTG-UHFFFAOYSA-N 0 1 375.332 3.190 20 0 GGADMN COc1ccc(CNCc2cc(Br)c(OC)c(OC)c2)cc1O ZINC000237209244 565953792 /nfs/dbraw/zinc/95/37/92/565953792.db2.gz FNDDSFLPHRHQJD-UHFFFAOYSA-N 0 1 382.254 3.470 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Br)CCN1 ZINC000414690417 565955450 /nfs/dbraw/zinc/95/54/50/565955450.db2.gz HXTFMZRARIPOSO-MRVPVSSYSA-N 0 1 377.080 3.037 20 0 GGADMN Cc1cc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)sc1Br ZINC000286369871 565956104 /nfs/dbraw/zinc/95/61/04/565956104.db2.gz GGKBGHYOOGDOCL-ZYHUDNBSSA-N 0 1 383.315 3.009 20 0 GGADMN CCS[C@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373142 565956148 /nfs/dbraw/zinc/95/61/48/565956148.db2.gz YTJNBSKMPGVICX-MNOVXSKESA-N 0 1 381.523 3.256 20 0 GGADMN COc1ccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1Br ZINC000237313625 565956772 /nfs/dbraw/zinc/95/67/72/565956772.db2.gz HTUYFPDHUOFXCQ-YVEFUNNKSA-N 0 1 389.293 3.349 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CCN1 ZINC000414732405 565957901 /nfs/dbraw/zinc/95/79/01/565957901.db2.gz IVYDSRPRRKNCSS-LLVKDONJSA-N 0 1 395.326 3.322 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(Cl)nc1 ZINC000179121430 565958685 /nfs/dbraw/zinc/95/86/85/565958685.db2.gz XGDTYSGGMIQZBN-CQSZACIVSA-N 0 1 381.929 3.414 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000286419001 565959092 /nfs/dbraw/zinc/95/90/92/565959092.db2.gz PQCPJZDLSSIKCA-SECBINFHSA-N 0 1 379.251 3.405 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1OC ZINC000286430580 565959227 /nfs/dbraw/zinc/95/92/27/565959227.db2.gz RTRHRWFDSLHAEQ-VIFPVBQESA-N 0 1 397.273 3.164 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ccc(Br)cc1F ZINC000286432487 565959305 /nfs/dbraw/zinc/95/93/05/565959305.db2.gz GMOVRBFVDLTTIC-SJCJKPOMSA-N 0 1 399.304 3.409 20 0 GGADMN Cc1ncc([C@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000179130617 565959771 /nfs/dbraw/zinc/95/97/71/565959771.db2.gz NZSLSKGOLWKRFH-AWEZNQCLSA-N 0 1 379.551 3.477 20 0 GGADMN CCOC(=O)C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(C)=O ZINC000286435608 565960283 /nfs/dbraw/zinc/96/02/83/565960283.db2.gz DWFXZXQTSGMQQK-GFCCVEGCSA-N 0 1 398.282 3.237 20 0 GGADMN CO[C@H](C)c1nc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cs1 ZINC000286478209 565962436 /nfs/dbraw/zinc/96/24/36/565962436.db2.gz ABMSHVRSYAFAMG-SSDOTTSWSA-N 0 1 382.841 3.261 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000237529709 565962669 /nfs/dbraw/zinc/96/26/69/565962669.db2.gz KRPQCYBOBHIKRY-XIKOKIGWSA-N 0 1 391.284 3.350 20 0 GGADMN CC(C)C[C@H](CN[C@@H](C)c1ncc(Br)s1)N1CCOCC1 ZINC000179196907 565964158 /nfs/dbraw/zinc/96/41/58/565964158.db2.gz CCMITFPDSBCCLX-QWHCGFSZSA-N 0 1 376.364 3.303 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CCN1 ZINC000237560348 565964248 /nfs/dbraw/zinc/96/42/48/565964248.db2.gz IJTZALOJZSZGRJ-LBPRGKRZSA-N 0 1 376.254 3.070 20 0 GGADMN C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1ncc(Br)s1 ZINC000179200120 565964422 /nfs/dbraw/zinc/96/44/22/565964422.db2.gz WXGOSLXMCWMRMN-JTQLQIEISA-N 0 1 384.299 3.454 20 0 GGADMN C[C@@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ncc(Br)s1 ZINC000179201029 565964627 /nfs/dbraw/zinc/96/46/27/565964627.db2.gz BCIUZPCQKCCKFL-SNVBAGLBSA-N 0 1 384.299 3.454 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1C ZINC000286522099 565964674 /nfs/dbraw/zinc/96/46/74/565964674.db2.gz QTTBBOHJERIUBQ-OAHLLOKOSA-N 0 1 396.329 3.077 20 0 GGADMN CN1CC[C@@H](CNC(=O)NOCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000361213902 565966449 /nfs/dbraw/zinc/96/64/49/565966449.db2.gz GSZPPNYQRBDVNN-GWCFXTLKSA-N 0 1 383.773 3.265 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CCN1 ZINC000237638124 565966726 /nfs/dbraw/zinc/96/67/26/565966726.db2.gz JYCNPGYYFLMFPJ-LLVKDONJSA-N 0 1 394.244 3.209 20 0 GGADMN C[C@@H](NCCCNC(=O)c1cccc(O)c1)c1ncc(Br)s1 ZINC000179221977 565967307 /nfs/dbraw/zinc/96/73/07/565967307.db2.gz HKXKFWIGPMCKIO-SNVBAGLBSA-N 0 1 384.299 3.082 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)[C@@H]1NCCc2ccccc21 ZINC000237721680 565968932 /nfs/dbraw/zinc/96/89/32/565968932.db2.gz KTXHVDAEAGLQNY-QGZVFWFLSA-N 0 1 377.257 3.134 20 0 GGADMN CCOc1cc(Br)c(NC(=O)N2CCN[C@@H](C)C2)cc1OCC ZINC000415013514 565970655 /nfs/dbraw/zinc/97/06/55/565970655.db2.gz KTNQBPSLMZOPQU-NSHDSACASA-N 0 1 386.290 3.072 20 0 GGADMN O=S(=O)([N-]CCC[NH+]1CCCC1)c1c(Cl)cc(F)cc1Br ZINC000179308087 565971372 /nfs/dbraw/zinc/97/13/72/565971372.db2.gz QQSNABNKWGJOSS-UHFFFAOYSA-N 0 1 399.713 3.006 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CCN1 ZINC000415066306 565971558 /nfs/dbraw/zinc/97/15/58/565971558.db2.gz AJJKMWKJMYOZCY-LBPRGKRZSA-N 0 1 391.269 3.462 20 0 GGADMN N[C@@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000237827272 565972402 /nfs/dbraw/zinc/97/24/02/565972402.db2.gz HBDNRNBGSHXOSD-RDTXWAMCSA-N 0 1 388.309 3.092 20 0 GGADMN O=C(c1cccc(Br)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179328573 565972558 /nfs/dbraw/zinc/97/25/58/565972558.db2.gz ZXIJVUBOFUGUHM-ZDUSSCGKSA-N 0 1 375.270 3.464 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179342243 565973421 /nfs/dbraw/zinc/97/34/21/565973421.db2.gz RJFBKZITTFIHCT-AWEZNQCLSA-N 0 1 381.314 3.196 20 0 GGADMN O=C(Cc1cccc(Br)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179338275 565973835 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N[C@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000238020335 565977923 /nfs/dbraw/zinc/97/79/23/565977923.db2.gz HBDNRNBGSHXOSD-KSSFIOAISA-N 0 1 388.309 3.092 20 0 GGADMN CC(C)N(CCO)Cc1coc(-c2ccc(I)cc2)n1 ZINC000179412969 565979370 /nfs/dbraw/zinc/97/93/70/565979370.db2.gz ZZZIUUWIZRJITK-UHFFFAOYSA-N 0 1 386.233 3.149 20 0 GGADMN CNC(=O)CCN(C)Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000179412107 565979727 /nfs/dbraw/zinc/97/97/27/565979727.db2.gz ZOXSMNDUZSUOGU-UHFFFAOYSA-N 0 1 393.329 3.326 20 0 GGADMN O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CCNCC1 ZINC000415211031 565979762 /nfs/dbraw/zinc/97/97/62/565979762.db2.gz LNVYJIUPEVGMLO-UHFFFAOYSA-N 0 1 377.242 3.074 20 0 GGADMN COCC(C)(C)NCc1coc(-c2ccc(I)cc2)n1 ZINC000179419510 565979923 /nfs/dbraw/zinc/97/99/23/565979923.db2.gz WJQYGUHCCUOQPQ-UHFFFAOYSA-N 0 1 386.233 3.461 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000243493130 565986428 /nfs/dbraw/zinc/98/64/28/565986428.db2.gz NQZUHRMCJLNPOK-UHFFFAOYSA-N 0 1 378.925 3.424 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Nc2nc(SCc3ccccc3)ns2)n[nH]1 ZINC000286936404 565986776 /nfs/dbraw/zinc/98/67/76/565986776.db2.gz CAAADRAIJSUNIL-VIFPVBQESA-N 0 1 375.483 3.140 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286936099 565986786 /nfs/dbraw/zinc/98/67/86/565986786.db2.gz GOJXSRLVIQTGAO-SCLBCKFNSA-N 0 1 382.913 3.022 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000245414530 565989107 /nfs/dbraw/zinc/98/91/07/565989107.db2.gz DKZQBTFSINCOTR-CABCVRRESA-N 0 1 382.957 3.493 20 0 GGADMN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000245414530 565989113 /nfs/dbraw/zinc/98/91/13/565989113.db2.gz DKZQBTFSINCOTR-CABCVRRESA-N 0 1 382.957 3.493 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](CCC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000245396206 565989194 /nfs/dbraw/zinc/98/91/94/565989194.db2.gz KJOBMVGUFCKMAP-STQMWFEESA-N 0 1 386.323 3.148 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000286980088 565990161 /nfs/dbraw/zinc/99/01/61/565990161.db2.gz BAYFUZQFAVHFRO-UHFFFAOYSA-N 0 1 378.152 3.250 20 0 GGADMN CN(CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245437422 565990492 /nfs/dbraw/zinc/99/04/92/565990492.db2.gz ROCHOHLYKYDLNF-HZPDHXFCSA-N 0 1 390.908 3.095 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286994767 565991333 /nfs/dbraw/zinc/99/13/33/565991333.db2.gz JTKNITIWYOOWNX-UGSOOPFHSA-N 0 1 382.913 3.022 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(C(F)(F)F)ccc2Br)n1 ZINC000286992745 565991555 /nfs/dbraw/zinc/99/15/55/565991555.db2.gz BRVINYPGMGCPGG-UHFFFAOYSA-N 0 1 392.179 3.259 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000245465646 565991669 /nfs/dbraw/zinc/99/16/69/565991669.db2.gz YNOYZYRYRDTUMT-UONOGXRCSA-N 0 1 389.323 3.156 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CCN1 ZINC000415365236 565991849 /nfs/dbraw/zinc/99/18/49/565991849.db2.gz UDWCAIIQHRUVSX-MRVPVSSYSA-N 0 1 382.180 3.173 20 0 GGADMN CC(C)n1cc([C@H](C)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000287039277 565993213 /nfs/dbraw/zinc/99/32/13/565993213.db2.gz MFOVYFACTGNQPK-GOEBONIOSA-N 0 1 382.555 3.029 20 0 GGADMN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOc1ccc(F)cc1Cl ZINC000179621885 565993649 /nfs/dbraw/zinc/99/36/49/565993649.db2.gz HDCZJUKHJQDPEW-GFCCVEGCSA-N 0 1 386.876 3.198 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)C12CCCN1CCC2 ZINC000415400091 565993993 /nfs/dbraw/zinc/99/39/93/565993993.db2.gz FCXIRIOMKLCDHW-UHFFFAOYSA-N 0 1 397.313 3.431 20 0 GGADMN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000179625720 565994252 /nfs/dbraw/zinc/99/42/52/565994252.db2.gz MZGZGZPPPIRZIZ-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN NC(=O)CC[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000245528856 565994225 /nfs/dbraw/zinc/99/42/25/565994225.db2.gz BOLGCDGWYSJISM-LRDDRELGSA-N 0 1 384.307 3.076 20 0 GGADMN CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000245542070 565994302 /nfs/dbraw/zinc/99/43/02/565994302.db2.gz JRELMYLVLZPMNI-SMDDNHRTSA-N 0 1 376.831 3.363 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000245538697 565994375 /nfs/dbraw/zinc/99/43/75/565994375.db2.gz HGHCBRPBPWZSOG-LXZKKBNFSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000245538699 565994752 /nfs/dbraw/zinc/99/47/52/565994752.db2.gz HGHCBRPBPWZSOG-YSVLISHTSA-N 0 1 383.330 3.109 20 0 GGADMN COC(=O)[C@H](O)C1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179629184 565994837 /nfs/dbraw/zinc/99/48/37/565994837.db2.gz CYFRJNVEOFXDON-IAGOWNOFSA-N 0 1 382.298 3.072 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000245538695 565994959 /nfs/dbraw/zinc/99/49/59/565994959.db2.gz HGHCBRPBPWZSOG-JLJPHGGASA-N 0 1 383.330 3.109 20 0 GGADMN CC(=O)N(C)C1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179640713 565995224 /nfs/dbraw/zinc/99/52/24/565995224.db2.gz YXXWTQIVYYHTFH-UHFFFAOYSA-N 0 1 391.313 3.078 20 0 GGADMN O=C1CC[C@H]2CN(CCOc3ccccc3Br)CC[C@@H]2N1C1CC1 ZINC000245545328 565995508 /nfs/dbraw/zinc/99/55/08/565995508.db2.gz TXLPKYBELGFWHR-YOEHRIQHSA-N 0 1 393.325 3.303 20 0 GGADMN O=C1CC[C@H]2CN(CCOc3ccccc3Br)CC[C@H]2N1C1CC1 ZINC000245545326 565995545 /nfs/dbraw/zinc/99/55/45/565995545.db2.gz TXLPKYBELGFWHR-WMLDXEAASA-N 0 1 393.325 3.303 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000245575019 565997617 /nfs/dbraw/zinc/99/76/17/565997617.db2.gz FAPWTYMDMIBVMQ-GJZGRUSLSA-N 0 1 379.287 3.359 20 0 GGADMN O=C(c1cccc2c[nH]nc21)N(CCO)Cc1cc(Br)ccc1F ZINC000179660217 565997832 /nfs/dbraw/zinc/99/78/32/565997832.db2.gz VRTRLLYGXXFXFH-UHFFFAOYSA-N 0 1 392.228 3.099 20 0 GGADMN C[C@@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ncc(Br)s1 ZINC000245652297 566000220 /nfs/dbraw/zinc/00/02/20/566000220.db2.gz KHDFAVDJVWYCSZ-IJLUTSLNSA-N 0 1 376.364 3.444 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179684050 566000234 /nfs/dbraw/zinc/00/02/34/566000234.db2.gz ABEIZXHIBKOCRU-GFCCVEGCSA-N 0 1 394.806 3.393 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179684065 566000299 /nfs/dbraw/zinc/00/02/99/566000299.db2.gz ABEIZXHIBKOCRU-LBPRGKRZSA-N 0 1 394.806 3.393 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179704651 566000877 /nfs/dbraw/zinc/00/08/77/566000877.db2.gz UDUCNTGZVCALJE-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179703330 566001016 /nfs/dbraw/zinc/00/10/16/566001016.db2.gz OCQOIBIEDRIDAS-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Cl)c1 ZINC000179702191 566001648 /nfs/dbraw/zinc/00/16/48/566001648.db2.gz LCYCBVWXOROZJA-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN CCO[C@@H]1C[C@@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C12CCCC2 ZINC000245699124 566001717 /nfs/dbraw/zinc/00/17/17/566001717.db2.gz QIXGWCNLGDTKFW-BZUAXINKSA-N 0 1 381.314 3.303 20 0 GGADMN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000245729239 566003015 /nfs/dbraw/zinc/00/30/15/566003015.db2.gz FAMSKCAZOFSPEO-XJKSGUPXSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000245729239 566003018 /nfs/dbraw/zinc/00/30/18/566003018.db2.gz FAMSKCAZOFSPEO-XJKSGUPXSA-N 0 1 399.329 3.022 20 0 GGADMN O=C([C@@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1)N1CCCC1 ZINC000287197333 566003317 /nfs/dbraw/zinc/00/33/17/566003317.db2.gz DHADPFNNDUPSCH-GFCCVEGCSA-N 0 1 378.270 3.035 20 0 GGADMN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H](C)C1 ZINC000245753023 566004705 /nfs/dbraw/zinc/00/47/05/566004705.db2.gz HADAKBJJQBPITA-XJKSGUPXSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H](C)C1 ZINC000245753023 566004709 /nfs/dbraw/zinc/00/47/09/566004709.db2.gz HADAKBJJQBPITA-XJKSGUPXSA-N 0 1 399.329 3.022 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCc2nccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245762526 566006264 /nfs/dbraw/zinc/00/62/64/566006264.db2.gz ZUNHUGILFQVSCJ-BLLLJJGKSA-N 0 1 382.892 3.428 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(Br)cc2O)cc1C(=O)N(C)C ZINC000179764062 566006346 /nfs/dbraw/zinc/00/63/46/566006346.db2.gz ICUBCNWOCKRFJL-UHFFFAOYSA-N 0 1 377.238 3.417 20 0 GGADMN CN(Cc1nnc[nH]1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000179790296 566008632 /nfs/dbraw/zinc/00/86/32/566008632.db2.gz SSZRRDQCYAKLCU-UHFFFAOYSA-N 0 1 388.269 3.173 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)c1cccs1 ZINC000179802358 566008925 /nfs/dbraw/zinc/00/89/25/566008925.db2.gz QLEILTGEJOQZFO-GFCCVEGCSA-N 0 1 387.839 3.037 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000415633971 566009543 /nfs/dbraw/zinc/00/95/43/566009543.db2.gz WWSVJFUKYPRXRV-NWDGAFQWSA-N 0 1 378.226 3.091 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CCN1 ZINC000415627553 566010110 /nfs/dbraw/zinc/01/01/10/566010110.db2.gz BNDAZOPXWFOQCE-MRVPVSSYSA-N 0 1 382.180 3.173 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000415635160 566010295 /nfs/dbraw/zinc/01/02/95/566010295.db2.gz TZZUIRDQFWDWRB-OKILXGFUSA-N 0 1 381.929 3.132 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000245910898 566010552 /nfs/dbraw/zinc/01/05/52/566010552.db2.gz RFMZJZPEDJRRCA-JKSUJKDBSA-N 0 1 379.287 3.359 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCSCC1 ZINC000179820112 566010743 /nfs/dbraw/zinc/01/07/43/566010743.db2.gz WQLNVGWXQIPOCL-QMMMGPOBSA-N 0 1 379.707 3.184 20 0 GGADMN CC(=O)N[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)C1CCCC1 ZINC000179820901 566010863 /nfs/dbraw/zinc/01/08/63/566010863.db2.gz SQHYNCHUMNUBSK-ZDUSSCGKSA-N 0 1 389.677 3.442 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)C(C)(C)c2ccc(Br)cc2)n1 ZINC000415638735 566010969 /nfs/dbraw/zinc/01/09/69/566010969.db2.gz OSJHHDWKTFOOFG-UHFFFAOYSA-N 0 1 380.242 3.265 20 0 GGADMN COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000179819299 566011372 /nfs/dbraw/zinc/01/13/72/566011372.db2.gz YTVHYIMDZIMGDM-OAHLLOKOSA-N 0 1 392.253 3.036 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCC(C)(C)c2ccc(Br)cc2)n[nH]1 ZINC000287328925 566011712 /nfs/dbraw/zinc/01/17/12/566011712.db2.gz OPNJIZMSICOUJA-JTQLQIEISA-N 0 1 380.290 3.214 20 0 GGADMN C[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000179833322 566012170 /nfs/dbraw/zinc/01/21/70/566012170.db2.gz CSZQVZBCQIQAHL-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN Brc1ccc(-c2noc(CN3CCC(c4nc[nH]n4)CC3)n2)s1 ZINC000363613071 566012839 /nfs/dbraw/zinc/01/28/39/566012839.db2.gz JMVFLGKVSUTXDC-UHFFFAOYSA-N 0 1 395.286 3.058 20 0 GGADMN CC(C)CCN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179861249 566012927 /nfs/dbraw/zinc/01/29/27/566012927.db2.gz ITCSUKMSXJSGGZ-UHFFFAOYSA-N 0 1 398.244 3.251 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000246001524 566013498 /nfs/dbraw/zinc/01/34/98/566013498.db2.gz YFLDLGPIJSRRRS-JKSUJKDBSA-N 0 1 379.287 3.359 20 0 GGADMN O=C(Cn1cc(Br)ccc1=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179858665 566013559 /nfs/dbraw/zinc/01/35/59/566013559.db2.gz OLQXWAQXRFSYJI-UHFFFAOYSA-N 0 1 397.179 3.063 20 0 GGADMN O=C(Nc1ccc(Br)nc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179878155 566014239 /nfs/dbraw/zinc/01/42/39/566014239.db2.gz HRVMREQGONZNNG-LLVKDONJSA-N 0 1 391.273 3.251 20 0 GGADMN CC[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179869743 566014583 /nfs/dbraw/zinc/01/45/83/566014583.db2.gz ILGLROYTDVNOAJ-NXEZZACHSA-N 0 1 398.244 3.297 20 0 GGADMN O=C(Nc1cncc(Br)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179893494 566015704 /nfs/dbraw/zinc/01/57/04/566015704.db2.gz BUCBADGYZHUIKY-LLVKDONJSA-N 0 1 391.273 3.251 20 0 GGADMN Cc1c(C(F)(F)F)nn(C)c1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000287396184 566016102 /nfs/dbraw/zinc/01/61/02/566016102.db2.gz CDYDHYADOXTCCE-NSHDSACASA-N 0 1 375.420 3.233 20 0 GGADMN COC(=O)c1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1F ZINC000363704806 566017468 /nfs/dbraw/zinc/01/74/68/566017468.db2.gz YGYNHGRQOLZXGN-UHFFFAOYSA-N 0 1 396.260 3.408 20 0 GGADMN O=C(NC1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1)C1CC1 ZINC000179915512 566018384 /nfs/dbraw/zinc/01/83/84/566018384.db2.gz IEKWSMWYLXZZIK-UHFFFAOYSA-N 0 1 391.309 3.216 20 0 GGADMN Cc1nc(NC(=O)N2CCNCC2)sc1Cc1cccc(Br)c1 ZINC000415794830 566019125 /nfs/dbraw/zinc/01/91/25/566019125.db2.gz XBTXIYQDHKFBCH-UHFFFAOYSA-N 0 1 395.326 3.242 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000363761685 566019474 /nfs/dbraw/zinc/01/94/74/566019474.db2.gz FIKYWHXUUPLIAU-CYBMUJFWSA-N 0 1 387.237 3.233 20 0 GGADMN COc1ccc([C@H](C)NC[C@H]2COC3(CCOCC3)O2)c(Br)c1 ZINC000179984855 566023117 /nfs/dbraw/zinc/02/31/17/566023117.db2.gz NJPTWEIUIVIALY-JSGCOSHPSA-N 0 1 386.286 3.030 20 0 GGADMN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1n[nH]c2ccc(Br)cc21 ZINC000246231087 566023244 /nfs/dbraw/zinc/02/32/44/566023244.db2.gz WQIUSSBBEWOOGP-COLVAYQJSA-N 0 1 376.254 3.013 20 0 GGADMN C[C@H]1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)[C@H]1C ZINC000179989632 566023766 /nfs/dbraw/zinc/02/37/66/566023766.db2.gz YJRYMJYDNCBJJV-UWVGGRQHSA-N 0 1 396.228 3.003 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1Cl ZINC000180004876 566025289 /nfs/dbraw/zinc/02/52/89/566025289.db2.gz QMHHRNIRTDIACG-UHFFFAOYSA-N 0 1 387.910 3.036 20 0 GGADMN Brc1cccc2c1CC[C@@H]2NCc1cccnc1N1CCOCC1 ZINC000180008756 566025432 /nfs/dbraw/zinc/02/54/32/566025432.db2.gz ASHDPUKQJIMQRV-SFHVURJKSA-N 0 1 388.309 3.458 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180010887 566025707 /nfs/dbraw/zinc/02/57/07/566025707.db2.gz REYZDXIPCMPTPS-ZDUSSCGKSA-N 0 1 376.298 3.475 20 0 GGADMN COC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000246300185 566025861 /nfs/dbraw/zinc/02/58/61/566025861.db2.gz FCQBICLGNIPIGQ-VHSXEESVSA-N 0 1 380.794 3.427 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCCCc2ccc(Br)cc2F)n[nH]1 ZINC000287567429 566027236 /nfs/dbraw/zinc/02/72/36/566027236.db2.gz LKWBYCBQUVKINL-VIFPVBQESA-N 0 1 384.253 3.008 20 0 GGADMN OCCC[N@H+](Cc1ccccn1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000287600917 566028002 /nfs/dbraw/zinc/02/80/02/566028002.db2.gz DFOBRQJAAKDHMT-MRXNPFEDSA-N 0 1 385.291 3.013 20 0 GGADMN OCCCN(Cc1ccccn1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000287600917 566028008 /nfs/dbraw/zinc/02/80/08/566028008.db2.gz DFOBRQJAAKDHMT-MRXNPFEDSA-N 0 1 385.291 3.013 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000246425668 566028577 /nfs/dbraw/zinc/02/85/77/566028577.db2.gz ISNIHYBVNZCCKV-KBRIMQKVSA-N 0 1 383.319 3.278 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000246432130 566029616 /nfs/dbraw/zinc/02/96/16/566029616.db2.gz SYXIAUMITRDYEY-MNDBLIDSSA-N 0 1 398.326 3.135 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000287639292 566031069 /nfs/dbraw/zinc/03/10/69/566031069.db2.gz CEYLJOYGKQGXMP-INIZCTEOSA-N 0 1 381.318 3.031 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc3ncsc3c2)c1 ZINC000180141680 566036814 /nfs/dbraw/zinc/03/68/14/566036814.db2.gz LINBGPBZWIDNLD-UHFFFAOYSA-N 0 1 380.422 3.413 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246687104 566037013 /nfs/dbraw/zinc/03/70/13/566037013.db2.gz MDRZMIPQGLFUEU-CHWSQXEVSA-N 0 1 382.295 3.324 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CCN1C[C@H](C)O ZINC000246714459 566038136 /nfs/dbraw/zinc/03/81/36/566038136.db2.gz DCPHFWCUXGHGFP-LQKXBSAESA-N 0 1 385.335 3.401 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000246716244 566038784 /nfs/dbraw/zinc/03/87/84/566038784.db2.gz XEYOKUOELXRKEG-WMLDXEAASA-N 0 1 377.326 3.423 20 0 GGADMN CCn1ccnc1[C@H](NCCCOC)c1ccc(I)cc1 ZINC000180156325 566038864 /nfs/dbraw/zinc/03/88/64/566038864.db2.gz LDPNDVMYXVTWKL-OAHLLOKOSA-N 0 1 399.276 3.223 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000180156309 566038871 /nfs/dbraw/zinc/03/88/71/566038871.db2.gz WRANLWNIQPIMIV-UHFFFAOYSA-N 0 1 380.897 3.281 20 0 GGADMN OCCN(CCOCC(F)(F)F)Cc1ccc(Cl)c(Br)c1 ZINC000180185158 566041062 /nfs/dbraw/zinc/04/10/62/566041062.db2.gz JLOUPPGJNTWDBF-UHFFFAOYSA-N 0 1 390.627 3.476 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246769612 566041140 /nfs/dbraw/zinc/04/11/40/566041140.db2.gz PIBAMOAFPVLYGA-CWRNSKLLSA-N 0 1 383.319 3.278 20 0 GGADMN CC[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCN1C[C@H](C)O ZINC000246790434 566041276 /nfs/dbraw/zinc/04/12/76/566041276.db2.gz JJCPOZUYMUTOKU-AAEUAGOBSA-N 0 1 384.307 3.392 20 0 GGADMN COC[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(F)c(F)c1 ZINC000180185802 566041252 /nfs/dbraw/zinc/04/12/52/566041252.db2.gz YEZVXFWXQIJHPZ-AWEZNQCLSA-N 0 1 381.322 3.048 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(F)c(F)c1 ZINC000180185818 566041397 /nfs/dbraw/zinc/04/13/97/566041397.db2.gz YEZVXFWXQIJHPZ-CQSZACIVSA-N 0 1 381.322 3.048 20 0 GGADMN Brc1ccc(-n2cc(CN3CCS[C@H]4COCC[C@H]43)cn2)cc1 ZINC000246826242 566042384 /nfs/dbraw/zinc/04/23/84/566042384.db2.gz RMZUUGLRSLFBLI-SJORKVTESA-N 0 1 394.338 3.341 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C2(c3cc(Br)ccc3OC)CC2)n[nH]1 ZINC000416186086 566042436 /nfs/dbraw/zinc/04/24/36/566042436.db2.gz YSYNWFVBZOUXKO-SNVBAGLBSA-N 0 1 393.285 3.047 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000246879690 566043766 /nfs/dbraw/zinc/04/37/66/566043766.db2.gz IHFRQOQEFDPOER-ZOWXZIJZSA-N 0 1 381.263 3.124 20 0 GGADMN Cn1nccc1[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000364303743 566043722 /nfs/dbraw/zinc/04/37/22/566043722.db2.gz NXMBYRCTOKCQQK-CXAGYDPISA-N 0 1 382.277 3.235 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000246879667 566044123 /nfs/dbraw/zinc/04/41/23/566044123.db2.gz IHFRQOQEFDPOER-HUBLWGQQSA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000287849311 566044266 /nfs/dbraw/zinc/04/42/66/566044266.db2.gz XQGUPEKJJILYBW-BXKDBHETSA-N 0 1 383.283 3.059 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000246880348 566044465 /nfs/dbraw/zinc/04/44/65/566044465.db2.gz IKBKXJXRINDMPU-SCRDCRAPSA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000246880330 566044699 /nfs/dbraw/zinc/04/46/99/566044699.db2.gz IKBKXJXRINDMPU-OBJOEFQTSA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Cc2cc(Cl)c(Br)cc2F)n[nH]1 ZINC000416245032 566048577 /nfs/dbraw/zinc/04/85/77/566048577.db2.gz RUBXUJIAUAVOMV-LURJTMIESA-N 0 1 375.629 3.088 20 0 GGADMN CCOC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000247081562 566051299 /nfs/dbraw/zinc/05/12/99/566051299.db2.gz VUXWEMBILQQKTH-HUUCEWRRSA-N 0 1 383.330 3.375 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(C)cc2Br)CCN1C[C@H](C)O ZINC000247156535 566053291 /nfs/dbraw/zinc/05/32/91/566053291.db2.gz UMJRIPSRQVVZAF-KBPBESRZSA-N 0 1 384.318 3.066 20 0 GGADMN CCOc1cc(Br)c(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1OCC ZINC000180309556 566053489 /nfs/dbraw/zinc/05/34/89/566053489.db2.gz YUOIKZVSHPUAMQ-VIFPVBQESA-N 0 1 398.261 3.247 20 0 GGADMN O=C1[C@@H](N2CCC(n3cc(Br)cn3)CC2)CCN1c1ccccc1 ZINC000364530384 566055963 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CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261617995 566124714 /nfs/dbraw/zinc/12/47/14/566124714.db2.gz ANIBQRWWCOCKHJ-FUHWJXTLSA-N 0 1 382.346 3.004 20 0 GGADMN C[C@](N)(C(=O)Nc1nnc(C(F)F)s1)c1ccc(Br)cc1 ZINC000261631250 566126506 /nfs/dbraw/zinc/12/65/06/566126506.db2.gz BVSHFPBITZQQQR-GFCCVEGCSA-N 0 1 377.214 3.051 20 0 GGADMN CN1CCOc2ccc(NC(=O)[C@@](C)(N)c3ccc(Br)cc3)cc21 ZINC000261625972 566126790 /nfs/dbraw/zinc/12/67/90/566126790.db2.gz BHAYFUQRIWPNMV-SFHVURJKSA-N 0 1 390.281 3.090 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181252039 566127104 /nfs/dbraw/zinc/12/71/04/566127104.db2.gz DXPAWOJOERQUNE-HZPDHXFCSA-N 0 1 379.291 3.499 20 0 GGADMN COc1ccc(-c2nc(C3(N)CCCC3)no2)c(I)c1 ZINC000261687877 566129069 /nfs/dbraw/zinc/12/90/69/566129069.db2.gz HGXKALYCLJDMMF-UHFFFAOYSA-N 0 1 385.205 3.078 20 0 GGADMN CCOCc1ccccc1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261672606 566129436 /nfs/dbraw/zinc/12/94/36/566129436.db2.gz GDGURZADBDSICW-IBGZPJMESA-N 0 1 391.309 3.476 20 0 GGADMN O=C(c1cncc(Br)c1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261678122 566129513 /nfs/dbraw/zinc/12/95/13/566129513.db2.gz GSDPRAGKMYMYBB-HNNXBMFYSA-N 0 1 380.673 3.284 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1snnc1C1CC1 ZINC000289588737 566129743 /nfs/dbraw/zinc/12/97/43/566129743.db2.gz RVSDEPBILPZBIU-UHFFFAOYSA-N 0 1 376.913 3.463 20 0 GGADMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289574529 566129767 /nfs/dbraw/zinc/12/97/67/566129767.db2.gz OQJKTOHSYDTNPQ-UHFFFAOYSA-N 0 1 395.352 3.115 20 0 GGADMN CCCO[C@H]1CCCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261724859 566130249 /nfs/dbraw/zinc/13/02/49/566130249.db2.gz KLHQAOGQUDKVNS-FUHWJXTLSA-N 0 1 383.330 3.431 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000261726904 566130828 /nfs/dbraw/zinc/13/08/28/566130828.db2.gz KQBDYYMOMZHZDJ-ZIFCJYIRSA-N 0 1 389.293 3.269 20 0 GGADMN CCCO[C@@H]1CCCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261724856 566130865 /nfs/dbraw/zinc/13/08/65/566130865.db2.gz KLHQAOGQUDKVNS-AEFFLSMTSA-N 0 1 383.330 3.431 20 0 GGADMN Cc1noc(C)c1C[C@@H](C)NCc1cn(-c2ccccc2Br)nn1 ZINC000289615959 566131668 /nfs/dbraw/zinc/13/16/68/566131668.db2.gz VYGJFTHRMFHCAJ-LLVKDONJSA-N 0 1 390.285 3.355 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)[C@H](NCc1cccc(Br)c1)CCC2 ZINC000289608062 566131679 /nfs/dbraw/zinc/13/16/79/566131679.db2.gz GGLRPBJUXSCIIT-QGZVFWFLSA-N 0 1 395.322 3.264 20 0 GGADMN COCCOc1ccc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261752813 566132092 /nfs/dbraw/zinc/13/20/92/566132092.db2.gz MWCNEJWWWHRBBP-SFHVURJKSA-N 0 1 393.281 3.287 20 0 GGADMN Cc1ccccc1OCCNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261735455 566132216 /nfs/dbraw/zinc/13/22/16/566132216.db2.gz LJGKAXQVSWQJAT-SFHVURJKSA-N 0 1 377.282 3.127 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)[C@](C)(N)c2ccc(Br)cc2)C12CCC2 ZINC000261775319 566133214 /nfs/dbraw/zinc/13/32/14/566133214.db2.gz OTJXOZDXSHMJDH-ZMSDIMECSA-N 0 1 381.314 3.087 20 0 GGADMN C[C@H](NC(=O)c1ccc(Br)s1)c1nc(C2(N)CCCC2)no1 ZINC000261779362 566133392 /nfs/dbraw/zinc/13/33/92/566133392.db2.gz NSUVPYNHSQCCGN-QMMMGPOBSA-N 0 1 385.287 3.113 20 0 GGADMN Nc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000261764404 566133401 /nfs/dbraw/zinc/13/34/01/566133401.db2.gz YFVLGSSGOOHPEM-AWEZNQCLSA-N 0 1 389.297 3.277 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)[C@@](C)(N)c2ccc(Br)cc2)C12CCC2 ZINC000261775314 566133577 /nfs/dbraw/zinc/13/35/77/566133577.db2.gz OTJXOZDXSHMJDH-INMHGKMJSA-N 0 1 381.314 3.087 20 0 GGADMN COCCOc1cccc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000261759024 566133602 /nfs/dbraw/zinc/13/36/02/566133602.db2.gz NHOQMECVVHZHAC-SFHVURJKSA-N 0 1 393.281 3.287 20 0 GGADMN COc1ccc(CCNC(=O)[C@](C)(N)c2ccc(Br)cc2)cc1F ZINC000261797572 566134701 /nfs/dbraw/zinc/13/47/01/566134701.db2.gz QQOFDMQEEQRETE-GOSISDBHSA-N 0 1 395.272 3.130 20 0 GGADMN COc1ccc(C)cc1CCNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261787128 566134865 /nfs/dbraw/zinc/13/48/65/566134865.db2.gz PUPQZYMTPFBMDK-LJQANCHMSA-N 0 1 391.309 3.299 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289678451 566135500 /nfs/dbraw/zinc/13/55/00/566135500.db2.gz RWTYVRQBOPBILH-SECBINFHSA-N 0 1 381.757 3.402 20 0 GGADMN CCS(=O)(=O)c1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1 ZINC000181366083 566135750 /nfs/dbraw/zinc/13/57/50/566135750.db2.gz TXFSSCCPICUKEL-UHFFFAOYSA-N 0 1 388.272 3.423 20 0 GGADMN NC1(c2noc([C@H]3CC(=O)N(c4ccccc4Br)C3)n2)CCCC1 ZINC000261835012 566136229 /nfs/dbraw/zinc/13/62/29/566136229.db2.gz RLLXASPMFWGJKD-NSHDSACASA-N 0 1 391.269 3.081 20 0 GGADMN COCCc1nc(CSc2nc(-c3ccccc3Br)n[nH]2)no1 ZINC000289718146 566136378 /nfs/dbraw/zinc/13/63/78/566136378.db2.gz GSVVBTCCPQRYKT-UHFFFAOYSA-N 0 1 396.270 3.098 20 0 GGADMN Cc1c(Br)ccc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c1F ZINC000289700562 566136400 /nfs/dbraw/zinc/13/64/00/566136400.db2.gz MELVOYDALGJZGK-GXFFZTMASA-N 0 1 382.233 3.482 20 0 GGADMN C[C@@](N)(C(=O)N[C@@H]1CCOc2c(F)cccc21)c1ccc(Br)cc1 ZINC000261817602 566136557 /nfs/dbraw/zinc/13/65/57/566136557.db2.gz SIGVKASSFSFIRO-QAPCUYQASA-N 0 1 393.256 3.402 20 0 GGADMN CC(C)(C)c1cnc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)o1 ZINC000261841202 566137176 /nfs/dbraw/zinc/13/71/76/566137176.db2.gz UYGZJGCBCFAHKI-KRWDZBQOSA-N 0 1 380.286 3.225 20 0 GGADMN C[C@H](NCC(=O)N(C)CCOc1ccc(Br)cc1)c1cccnc1 ZINC000181368781 566137406 /nfs/dbraw/zinc/13/74/06/566137406.db2.gz DTMOCQMXJSJYCR-AWEZNQCLSA-N 0 1 392.297 3.032 20 0 GGADMN COc1cc(C)ccc1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261860865 566137485 /nfs/dbraw/zinc/13/74/85/566137485.db2.gz WWUSVMSJTFUPGR-GOSISDBHSA-N 0 1 377.282 3.256 20 0 GGADMN C[C@@H](NCC(=O)N(C)CCOc1ccc(Br)cc1)c1cccnc1 ZINC000181368797 566137492 /nfs/dbraw/zinc/13/74/92/566137492.db2.gz DTMOCQMXJSJYCR-CQSZACIVSA-N 0 1 392.297 3.032 20 0 GGADMN COCc1ccccc1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261860583 566138046 /nfs/dbraw/zinc/13/80/46/566138046.db2.gz WSYPTUOENGSCRS-GOSISDBHSA-N 0 1 377.282 3.086 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181398059 566138163 /nfs/dbraw/zinc/13/81/63/566138163.db2.gz JZFYTQWGWONFEB-GXFFZTMASA-N 0 1 397.248 3.227 20 0 GGADMN COCCc1nc(C)c([C@H](C)NCc2cccc(CS(C)(=O)=O)c2)s1 ZINC000181406200 566138282 /nfs/dbraw/zinc/13/82/82/566138282.db2.gz RYHWAVISJZHRPF-ZDUSSCGKSA-N 0 1 382.551 3.036 20 0 GGADMN CO[C@H](C)c1nc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cs1 ZINC000261872248 566138824 /nfs/dbraw/zinc/13/88/24/566138824.db2.gz SKANXFOYUYPOPW-HWPZZCPQSA-N 0 1 398.326 3.103 20 0 GGADMN CO[C@@H](C)c1nc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)cs1 ZINC000261872250 566138976 /nfs/dbraw/zinc/13/89/76/566138976.db2.gz SKANXFOYUYPOPW-MGPLVRAMSA-N 0 1 398.326 3.103 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261877387 566139386 /nfs/dbraw/zinc/13/93/86/566139386.db2.gz YPZMVBHUHFRDFE-GOSISDBHSA-N 0 1 395.272 3.300 20 0 GGADMN C[C@@](N)(C(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(Br)cc1 ZINC000261870299 566139409 /nfs/dbraw/zinc/13/94/09/566139409.db2.gz XUQQNZDMWFQFOM-NSHDSACASA-N 0 1 395.204 3.132 20 0 GGADMN C[C@@](N)(C(=O)N1CCN(c2cccs2)CC1)c1ccc(Br)cc1 ZINC000261883592 566139575 /nfs/dbraw/zinc/13/95/75/566139575.db2.gz ZIUIZPBVKUAKMB-KRWDZBQOSA-N 0 1 394.338 3.033 20 0 GGADMN Nc1ncc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)s1 ZINC000261901754 566139902 /nfs/dbraw/zinc/13/99/02/566139902.db2.gz WFBJUNYCSJQMGQ-UHFFFAOYSA-N 0 1 395.326 3.339 20 0 GGADMN CCOc1cc(CNCc2cncn2C)cc(Br)c1OC(F)F ZINC000289787535 566140793 /nfs/dbraw/zinc/14/07/93/566140793.db2.gz JXYCLMJRVQDSOA-UHFFFAOYSA-N 0 1 390.228 3.473 20 0 GGADMN COCCc1nc(C)c([C@H](C)NCc2ccccc2CS(C)(=O)=O)s1 ZINC000181431094 566140924 /nfs/dbraw/zinc/14/09/24/566140924.db2.gz AKYQNVBDEYTCKB-ZDUSSCGKSA-N 0 1 382.551 3.036 20 0 GGADMN C[C@@H]1CNCCN1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000417250605 566141509 /nfs/dbraw/zinc/14/15/09/566141509.db2.gz FWZOTRZYQAKPLT-CYBMUJFWSA-N 0 1 386.323 3.045 20 0 GGADMN C[C@@H](N[C@H](C)C1CCS(=O)(=O)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000289828138 566143086 /nfs/dbraw/zinc/14/30/86/566143086.db2.gz UHOMASXTWBWMDQ-VXGBXAGGSA-N 0 1 383.901 3.254 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccc(Br)nc2)ccc1OCCO ZINC000289854084 566144001 /nfs/dbraw/zinc/14/40/01/566144001.db2.gz RGGJSQWEJDVJKM-LBPRGKRZSA-N 0 1 381.270 3.075 20 0 GGADMN COc1cc(CN[C@H](C)c2ccc(Br)nc2)ccc1OCCO ZINC000289854082 566144050 /nfs/dbraw/zinc/14/40/50/566144050.db2.gz RGGJSQWEJDVJKM-GFCCVEGCSA-N 0 1 381.270 3.075 20 0 GGADMN Cc1sc([C@@H](C)NC(=O)C[C@H]2COCCN2)nc1-c1ccc(Cl)cc1 ZINC000262030137 566143997 /nfs/dbraw/zinc/14/39/97/566143997.db2.gz AIPGZACDBUAVFM-ABAIWWIYSA-N 0 1 379.913 3.328 20 0 GGADMN NC1(c2noc(-c3ccc(I)cc3Cl)n2)CCC1 ZINC000262011043 566144472 /nfs/dbraw/zinc/14/44/72/566144472.db2.gz VCEWLOZWNNKJDG-UHFFFAOYSA-N 0 1 375.597 3.333 20 0 GGADMN C[C@@](N)(C(=O)N[C@H]1CCOc2ccccc21)c1ccc(Br)cc1 ZINC000262024341 566144813 /nfs/dbraw/zinc/14/48/13/566144813.db2.gz ZJNRNQOJKXUSIZ-YJBOKZPZSA-N 0 1 375.266 3.263 20 0 GGADMN C[C@@](N)(C(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000262010152 566144819 /nfs/dbraw/zinc/14/48/19/566144819.db2.gz WLIXAWXFTJYXQZ-FZMZJTMJSA-N 0 1 379.220 3.424 20 0 GGADMN C[C@@H](N[C@H](C)C1CCS(=O)(=O)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000366287025 566144994 /nfs/dbraw/zinc/14/49/94/566144994.db2.gz SOGCQHNSMPKFIK-VXGBXAGGSA-N 0 1 383.901 3.254 20 0 GGADMN C[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C1CCS(=O)(=O)CC1 ZINC000366287022 566145399 /nfs/dbraw/zinc/14/53/99/566145399.db2.gz SOGCQHNSMPKFIK-NEPJUHHUSA-N 0 1 383.901 3.254 20 0 GGADMN C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000181503569 566145343 /nfs/dbraw/zinc/14/53/43/566145343.db2.gz SPVPJPSWIOYPNM-SNVBAGLBSA-N 0 1 378.441 3.137 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H]2CCCOc3ccccc32)c(C)s1 ZINC000181505140 566145916 /nfs/dbraw/zinc/14/59/16/566145916.db2.gz DGDDAWMAAVYLTF-MRXNPFEDSA-N 0 1 380.535 3.147 20 0 GGADMN C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000181503549 566145967 /nfs/dbraw/zinc/14/59/67/566145967.db2.gz SPVPJPSWIOYPNM-JTQLQIEISA-N 0 1 378.441 3.137 20 0 GGADMN COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000262072580 566146009 /nfs/dbraw/zinc/14/60/09/566146009.db2.gz DCTRGBOOEAVWRW-YVEFUNNKSA-N 0 1 384.270 3.153 20 0 GGADMN CC(C)(NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1Br ZINC000181517146 566146562 /nfs/dbraw/zinc/14/65/62/566146562.db2.gz BBQWJGJGGCQNMR-UHFFFAOYSA-N 0 1 394.313 3.138 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262155477 566146943 /nfs/dbraw/zinc/14/69/43/566146943.db2.gz NLVNYSUIITZZRF-SCLBCKFNSA-N 0 1 385.291 3.139 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(Br)nc2)cc1 ZINC000289897682 566147033 /nfs/dbraw/zinc/14/70/33/566147033.db2.gz UDBUASDBDJTZPL-VXGBXAGGSA-N 0 1 398.326 3.164 20 0 GGADMN COC(=O)CC[N@@H+](Cc1cnc(N)s1)Cc1cccc(Br)c1 ZINC000262144414 566147346 /nfs/dbraw/zinc/14/73/46/566147346.db2.gz ZKANWJRJAZOQSO-UHFFFAOYSA-N 0 1 384.299 3.053 20 0 GGADMN COC(=O)CCN(Cc1cnc(N)s1)Cc1cccc(Br)c1 ZINC000262144414 566147347 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OC[C@@]1(c2ccccc2)CCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000291025650 566201836 /nfs/dbraw/zinc/20/18/36/566201836.db2.gz ASTYHJIRZVGQDJ-LJQANCHMSA-N 0 1 386.293 3.233 20 0 GGADMN O=S1(=O)CCC[C@@H](CN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000367452558 566202687 /nfs/dbraw/zinc/20/26/87/566202687.db2.gz ULPWAACJGBJLJH-AWEZNQCLSA-N 0 1 391.364 3.330 20 0 GGADMN Nc1c(Cl)cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1Cl ZINC000291052323 566203024 /nfs/dbraw/zinc/20/30/24/566203024.db2.gz HAJILMIPGHQDFL-MRVPVSSYSA-N 0 1 398.212 3.106 20 0 GGADMN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000182430375 566204501 /nfs/dbraw/zinc/20/45/01/566204501.db2.gz ZWQVEUKZWCHHND-UHFFFAOYSA-N 0 1 384.251 3.199 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2cc(C)cc(Br)c2O)c1 ZINC000182428027 566204925 /nfs/dbraw/zinc/20/49/25/566204925.db2.gz PXVXAMDCWOOMOQ-UHFFFAOYSA-N 0 1 386.267 3.410 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCC(c2nc[nH]n2)CC1 ZINC000367540528 566205890 /nfs/dbraw/zinc/20/58/90/566205890.db2.gz 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ZINC000182648248 566218285 /nfs/dbraw/zinc/21/82/85/566218285.db2.gz SNPBTEFHKLUPBR-UHFFFAOYSA-N 0 1 382.243 3.056 20 0 GGADMN Brc1cc2c(cc1CN1CCCC[C@H]1c1nnc[nH]1)OCCCO2 ZINC000182686938 566219160 /nfs/dbraw/zinc/21/91/60/566219160.db2.gz WQGHPMHSVHUATB-AWEZNQCLSA-N 0 1 393.285 3.456 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000367925681 566223499 /nfs/dbraw/zinc/22/34/99/566223499.db2.gz MNQLZQCXWQMWNP-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000182792937 566223812 /nfs/dbraw/zinc/22/38/12/566223812.db2.gz YVLREPDWZFZPCY-CYBMUJFWSA-N 0 1 383.363 3.012 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000182791391 566224025 /nfs/dbraw/zinc/22/40/25/566224025.db2.gz ILVPNRUGRWKMIA-CYBMUJFWSA-N 0 1 383.363 3.012 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000182791373 566224410 /nfs/dbraw/zinc/22/44/10/566224410.db2.gz ILVPNRUGRWKMIA-ZDUSSCGKSA-N 0 1 383.363 3.012 20 0 GGADMN C[NH+](C)[C@@]1(CN=c2[n-]c(C(F)(F)F)c(Br)s2)CCSC1 ZINC000418898634 566226525 /nfs/dbraw/zinc/22/65/25/566226525.db2.gz ZZBMHEKCCDPQFS-SNVBAGLBSA-N 0 1 390.294 3.196 20 0 GGADMN OCCN(Cc1cc(C(F)(F)F)ccc1Br)C1CCOCC1 ZINC000291587253 566226481 /nfs/dbraw/zinc/22/64/81/566226481.db2.gz PKOSOVLYNYIDGI-UHFFFAOYSA-N 0 1 382.220 3.441 20 0 GGADMN FC(F)(F)c1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)sc1Br ZINC000418905905 566227469 /nfs/dbraw/zinc/22/74/69/566227469.db2.gz VXQYOPMYBWCLML-RDDDGLTNSA-N 0 1 387.221 3.096 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(Cc1ccc(OC)c(OC)c1Br)CC2 ZINC000264991528 566229245 /nfs/dbraw/zinc/22/92/45/566229245.db2.gz BTRWKFDSOMYCLF-ZDUSSCGKSA-N 0 1 398.297 3.241 20 0 GGADMN FC(F)CN1CC[C@@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC000419024123 566229711 /nfs/dbraw/zinc/22/97/11/566229711.db2.gz QDRBKSCQJCTYLI-RXMQYKEDSA-N 0 1 380.180 3.098 20 0 GGADMN CC[NH+](CC)CCSCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182917175 566229796 /nfs/dbraw/zinc/22/97/96/566229796.db2.gz DRMCAVOEKOVUFM-UHFFFAOYSA-N 0 1 375.332 3.477 20 0 GGADMN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ncccc1Cl ZINC000182924435 566230351 /nfs/dbraw/zinc/23/03/51/566230351.db2.gz AXYXIPSVNJWZQQ-UHFFFAOYSA-N 0 1 395.637 3.446 20 0 GGADMN CO[C@](C)(CN[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000419248984 566231888 /nfs/dbraw/zinc/23/18/88/566231888.db2.gz YRODRPCZJBTBMQ-FUHWJXTLSA-N 0 1 377.282 3.127 20 0 GGADMN Brc1ccc(CN2CCC(CCCN3CCOCC3)CC2)nc1 ZINC000182956809 566232087 /nfs/dbraw/zinc/23/20/87/566232087.db2.gz SPRHRWZNQNOETG-UHFFFAOYSA-N 0 1 382.346 3.169 20 0 GGADMN O=S(=O)(Nc1ccc2cccc(Cl)c2n1)c1ccc2c(c1)OCCO2 ZINC000182962383 566232603 /nfs/dbraw/zinc/23/26/03/566232603.db2.gz VAKSQVQWRIXMJS-UHFFFAOYSA-N 0 1 376.821 3.460 20 0 GGADMN CCc1c(NC(=O)Cc2nnc(C)o2)[nH]nc1-c1ccc(Br)cc1 ZINC000291725741 566232726 /nfs/dbraw/zinc/23/27/26/566232726.db2.gz BTTPCZXFHYMQEB-UHFFFAOYSA-N 0 1 390.241 3.274 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000182992637 566233207 /nfs/dbraw/zinc/23/32/07/566233207.db2.gz UNCZPERFAVNUQL-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccncc2Br)n[nH]1 ZINC000291743302 566233237 /nfs/dbraw/zinc/23/32/37/566233237.db2.gz CKHDGDGHYPMMPF-ZDUSSCGKSA-N 0 1 378.274 3.453 20 0 GGADMN COC1(C(F)(F)F)CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000419348392 566233210 /nfs/dbraw/zinc/23/32/10/566233210.db2.gz LGVBPMXLUMDODT-CYBMUJFWSA-N 0 1 381.822 3.431 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)cc1 ZINC000182989750 566233540 /nfs/dbraw/zinc/23/35/40/566233540.db2.gz VYHLJTSCUHTZPI-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000182992615 566233593 /nfs/dbraw/zinc/23/35/93/566233593.db2.gz UNCZPERFAVNUQL-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN O=C(CN1CCSC[C@H]1C1CCC1)NCCc1nc2ccccc2s1 ZINC000419370402 566233667 /nfs/dbraw/zinc/23/36/67/566233667.db2.gz HAZMOLRAXYSZJU-INIZCTEOSA-N 0 1 375.563 3.173 20 0 GGADMN OC[C@]1(c2ccccc2)CCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000291771328 566234112 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3.453 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183035174 566235685 /nfs/dbraw/zinc/23/56/85/566235685.db2.gz QLEPAZJMJGWDQA-NWDGAFQWSA-N 0 1 376.444 3.035 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183035174 566235689 /nfs/dbraw/zinc/23/56/89/566235689.db2.gz QLEPAZJMJGWDQA-NWDGAFQWSA-N 0 1 376.444 3.035 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183035220 566236146 /nfs/dbraw/zinc/23/61/46/566236146.db2.gz QLEPAZJMJGWDQA-RYUDHWBXSA-N 0 1 376.444 3.035 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183035220 566236149 /nfs/dbraw/zinc/23/61/49/566236149.db2.gz QLEPAZJMJGWDQA-RYUDHWBXSA-N 0 1 376.444 3.035 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Br)s1 ZINC000368394734 566238005 /nfs/dbraw/zinc/23/80/05/566238005.db2.gz WNEHSFSFPRPXLU-QMMMGPOBSA-N 0 1 378.255 3.433 20 0 GGADMN C[C@@H](O)[C@@H]1CCN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000183153803 566239035 /nfs/dbraw/zinc/23/90/35/566239035.db2.gz WHKGDYFUEBLSJN-DGCLKSJQSA-N 0 1 398.244 3.149 20 0 GGADMN CCNc1ncc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000183152881 566239092 /nfs/dbraw/zinc/23/90/92/566239092.db2.gz MXWIIYHVPIUISS-UHFFFAOYSA-N 0 1 393.270 3.375 20 0 GGADMN COCCN1CC[C@@H](NC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000265603531 566239994 /nfs/dbraw/zinc/23/99/94/566239994.db2.gz MHPBKBKKDBMKND-OAHLLOKOSA-N 0 1 379.551 3.242 20 0 GGADMN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000183168172 566240099 /nfs/dbraw/zinc/24/00/99/566240099.db2.gz CZZYJXQVNWIOOW-UHFFFAOYSA-N 0 1 387.702 3.037 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000368490811 566240445 /nfs/dbraw/zinc/24/04/45/566240445.db2.gz DHINSQQKSBCWFT-CZUORRHYSA-N 0 1 385.291 3.454 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CN[C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183200234 566240575 /nfs/dbraw/zinc/24/05/75/566240575.db2.gz CYKLKSXCDBEGJZ-YLNNLZOCSA-N 0 1 381.925 3.098 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1nnc[nH]1 ZINC000183204973 566241013 /nfs/dbraw/zinc/24/10/13/566241013.db2.gz HBAILRVIXRSPJU-NSHDSACASA-N 0 1 378.841 3.290 20 0 GGADMN C[C@H](NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)c1nnc[nH]1 ZINC000183225708 566241068 /nfs/dbraw/zinc/24/10/68/566241068.db2.gz KKKWLBUBFMSWRH-ZETCQYMHSA-N 0 1 378.647 3.204 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cc1Cl ZINC000419713963 566242664 /nfs/dbraw/zinc/24/26/64/566242664.db2.gz XAOOIYCUJZQNPY-LLVKDONJSA-N 0 1 377.318 3.479 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000183296931 566243223 /nfs/dbraw/zinc/24/32/23/566243223.db2.gz JXQLNBSSRQCWJQ-NSHDSACASA-N 0 1 385.379 3.258 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)cnn1C ZINC000183337238 566244314 /nfs/dbraw/zinc/24/43/14/566244314.db2.gz FWBGDRKZNWEHMO-VXGBXAGGSA-N 0 1 379.302 3.019 20 0 GGADMN C[C@H](NC(=O)NCC1(c2cccc(Br)c2)CCCC1)c1nnc[nH]1 ZINC000183343032 566244765 /nfs/dbraw/zinc/24/47/65/566244765.db2.gz LXZGYQAYMHHSPN-LBPRGKRZSA-N 0 1 392.301 3.439 20 0 GGADMN Brc1ccc(-c2nnc(CN3CCCC4(CCOCC4)C3)o2)o1 ZINC000266039382 566244920 /nfs/dbraw/zinc/24/49/20/566244920.db2.gz VJDTVIOQWLVMHQ-UHFFFAOYSA-N 0 1 382.258 3.485 20 0 GGADMN COC[C@H](NCc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000183469349 566247287 /nfs/dbraw/zinc/24/72/87/566247287.db2.gz QMWJGHRQLYIXEO-HNNXBMFYSA-N 0 1 398.244 3.461 20 0 GGADMN Cc1nn(C)c(C)c1CCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000266339361 566249053 /nfs/dbraw/zinc/24/90/53/566249053.db2.gz XSXDGSIQOQAKDG-UHFFFAOYSA-N 0 1 376.258 3.247 20 0 GGADMN CSc1ccccc1C(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000369073633 566249563 /nfs/dbraw/zinc/24/95/63/566249563.db2.gz CRDFCQMCEUGTBY-CQSZACIVSA-N 0 1 377.832 3.234 20 0 GGADMN Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000369153504 566250052 /nfs/dbraw/zinc/25/00/52/566250052.db2.gz RDCQDAPOZUMFOU-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GGADMN C[C@H](NCC(=O)NCCOc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000444743615 566250633 /nfs/dbraw/zinc/25/06/33/566250633.db2.gz JFTDHFUYMYHDMB-ZDUSSCGKSA-N 0 1 395.272 3.434 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444758556 566250824 /nfs/dbraw/zinc/25/08/24/566250824.db2.gz OIAMAFIOYOCQDQ-IINYFYTJSA-N 0 1 382.785 3.167 20 0 GGADMN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(Br)s1 ZINC000444773965 566251462 /nfs/dbraw/zinc/25/14/62/566251462.db2.gz UIESCLUQESIEBF-RWMBFGLXSA-N 0 1 387.343 3.331 20 0 GGADMN COCCCNC(=O)[C@@H](C)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481760625 566251605 /nfs/dbraw/zinc/25/16/05/566251605.db2.gz KMVNMSUBAJTZPD-BZNIZROVSA-N 0 1 387.293 3.170 20 0 GGADMN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(Br)s1 ZINC000444773964 566251600 /nfs/dbraw/zinc/25/16/00/566251600.db2.gz UIESCLUQESIEBF-AVGNSLFASA-N 0 1 387.343 3.331 20 0 GGADMN COc1cccc(CNC(=O)CN[C@@H](C)c2ccc(Br)s2)c1 ZINC000444767023 566251636 /nfs/dbraw/zinc/25/16/36/566251636.db2.gz OFMWFXLHUPOUDX-NSHDSACASA-N 0 1 383.311 3.486 20 0 GGADMN C[C@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(Br)s1 ZINC000444763199 566251765 /nfs/dbraw/zinc/25/17/65/566251765.db2.gz TWDHRDNIVUGIKV-WCQYABFASA-N 0 1 395.322 3.281 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Br)s1 ZINC000444770062 566252249 /nfs/dbraw/zinc/25/22/49/566252249.db2.gz YEASEUQDWVFOGF-JTQLQIEISA-N 0 1 397.294 3.206 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(C)C1(CO)CC1 ZINC000668801556 566268974 /nfs/dbraw/zinc/26/89/74/566268974.db2.gz IPFYPYWGONGIAZ-UHFFFAOYSA-N 0 1 379.092 3.177 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1CC[C@@H]1CCNC1=O ZINC000575119784 566253319 /nfs/dbraw/zinc/25/33/19/566253319.db2.gz MYJZGODZUJBFEW-BLLLJJGKSA-N 0 1 384.307 3.313 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000444807036 566253288 /nfs/dbraw/zinc/25/32/88/566253288.db2.gz YHXZRLQMTMCTMQ-RHSMWYFYSA-N 0 1 375.296 3.088 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000575124754 566253691 /nfs/dbraw/zinc/25/36/91/566253691.db2.gz DWZSJYSZMPYYLQ-QWRGUYRKSA-N 0 1 383.926 3.036 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000444807037 566253618 /nfs/dbraw/zinc/25/36/18/566253618.db2.gz YHXZRLQMTMCTMQ-WMLDXEAASA-N 0 1 375.296 3.088 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2N(C)C)c(Br)c1 ZINC000481817140 566253861 /nfs/dbraw/zinc/25/38/61/566253861.db2.gz UHFXWPGOYSCPIJ-UHFFFAOYSA-N 0 1 385.283 3.325 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)Nc1ccncc1 ZINC000481838447 566254981 /nfs/dbraw/zinc/25/49/81/566254981.db2.gz LLSLQYCHPDBNHP-MRXNPFEDSA-N 0 1 376.298 3.158 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462150195 566255258 /nfs/dbraw/zinc/25/52/58/566255258.db2.gz LDRCVJMMDQHXTR-GFCCVEGCSA-N 0 1 393.322 3.131 20 0 GGADMN CC(C)Sc1cc(Br)ccc1CNCC(=O)NCC(F)F ZINC000481820753 566255279 /nfs/dbraw/zinc/25/52/79/566255279.db2.gz YFTDTRGVWDYAPR-UHFFFAOYSA-N 0 1 381.286 3.421 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCCS(=O)(=O)N(C)C ZINC000509023668 566255635 /nfs/dbraw/zinc/25/56/35/566255635.db2.gz XJVZNWRXXHLPCQ-NSHDSACASA-N 0 1 387.958 3.314 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462150196 566255995 /nfs/dbraw/zinc/25/59/95/566255995.db2.gz LDRCVJMMDQHXTR-LBPRGKRZSA-N 0 1 393.322 3.131 20 0 GGADMN COc1c(Br)cc(Br)cc1CNC1([C@H](C)O)CC1 ZINC000668696213 566256630 /nfs/dbraw/zinc/25/66/30/566256630.db2.gz NJSDTHQHLKWZKE-QMMMGPOBSA-N 0 1 379.092 3.223 20 0 GGADMN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(CN(C)C)c(Cl)c1)OCO2 ZINC000481865127 566257250 /nfs/dbraw/zinc/25/72/50/566257250.db2.gz LGWBFVVFKBGOPT-UHFFFAOYSA-N 0 1 382.869 3.240 20 0 GGADMN COC(=O)CCCCN[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000599368931 566257420 /nfs/dbraw/zinc/25/74/20/566257420.db2.gz CNHFGQXARLWEMG-NSHDSACASA-N 0 1 382.258 3.493 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2ccc(CN(C)C)c(Cl)c2)cc1 ZINC000481864714 566258009 /nfs/dbraw/zinc/25/80/09/566258009.db2.gz HPVCKYJISFOHHC-UHFFFAOYSA-N 0 1 382.913 3.391 20 0 GGADMN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000575180947 566258271 /nfs/dbraw/zinc/25/82/71/566258271.db2.gz ITUMFFKYESWEFA-LVUSLIMOSA-N 0 1 383.728 3.441 20 0 GGADMN O=C(CCc1cc(Cl)cs1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534840413 566258466 /nfs/dbraw/zinc/25/84/66/566258466.db2.gz GYYXZQHAGFJEAZ-DLBZAZTESA-N 0 1 378.925 3.086 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(Cl)cc(F)c1Br ZINC000555887280 566258912 /nfs/dbraw/zinc/25/89/12/566258912.db2.gz AKLNZWJZYWLTAE-UHFFFAOYSA-N 0 1 395.619 3.497 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000481875450 566259076 /nfs/dbraw/zinc/25/90/76/566259076.db2.gz PGQSLYDYFNMQPQ-UHFFFAOYSA-N 0 1 388.898 3.051 20 0 GGADMN O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cccc2c1OCO2 ZINC000509073348 566259045 /nfs/dbraw/zinc/25/90/45/566259045.db2.gz AKDCWCGRWUAZQH-UHFFFAOYSA-N 0 1 393.471 3.219 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cccn2)c(Cl)c1)c1cccc2c1OCO2 ZINC000509069753 566259335 /nfs/dbraw/zinc/25/93/35/566259335.db2.gz UTBKZWNQUUYUGM-UHFFFAOYSA-N 0 1 377.809 3.055 20 0 GGADMN CC(C)C[C@H]1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)N1C ZINC000420031564 566260649 /nfs/dbraw/zinc/26/06/49/566260649.db2.gz LWVZSKBPPLSZPX-LBPRGKRZSA-N 0 1 379.258 3.134 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1Cl ZINC000509078929 566261736 /nfs/dbraw/zinc/26/17/36/566261736.db2.gz DOGOEMMAPBRURB-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN CCCN(c1ccccc1F)S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F ZINC000599393266 566261885 /nfs/dbraw/zinc/26/18/85/566261885.db2.gz HIVMLBCFOJFLNV-ZDUSSCGKSA-N 0 1 385.379 3.256 20 0 GGADMN O=C1NC2(CCCCC2)C(=O)N1Cc1nc2cccc(Br)c2[nH]1 ZINC000420031602 566261746 /nfs/dbraw/zinc/26/17/46/566261746.db2.gz LYLWAMUOMOEGGZ-UHFFFAOYSA-N 0 1 377.242 3.080 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CC[N@H+]1C ZINC000481902174 566261760 /nfs/dbraw/zinc/26/17/60/566261760.db2.gz GOKIQRWXUSVYGP-VHSXEESVSA-N 0 1 383.880 3.024 20 0 GGADMN COc1c(Br)ccc(F)c1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000648313992 566262458 /nfs/dbraw/zinc/26/24/58/566262458.db2.gz MSXBXTMUNSTNJL-UHFFFAOYSA-N 0 1 382.233 3.306 20 0 GGADMN Cc1ccc2nc(CNC(=O)C[C@H](C)n3cc(Br)cn3)[nH]c2c1 ZINC000648309082 566262719 /nfs/dbraw/zinc/26/27/19/566262719.db2.gz DPKVCSSQYKBGEE-NSHDSACASA-N 0 1 376.258 3.098 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)Nc2ccn(-c3ccncc3)n2)n1 ZINC000668756260 566264823 /nfs/dbraw/zinc/26/48/23/566264823.db2.gz YUTNSJCJSHCJSG-UHFFFAOYSA-N 0 1 389.257 3.234 20 0 GGADMN CC[N@@H+](CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C(C)C ZINC000481930921 566264696 /nfs/dbraw/zinc/26/46/96/566264696.db2.gz HIOZNUBFNDTICH-UHFFFAOYSA-N 0 1 385.896 3.271 20 0 GGADMN COC(=O)C[C@@](C)(NCCOc1ccc(Br)cc1)c1ccccn1 ZINC000509134726 566266388 /nfs/dbraw/zinc/26/63/88/566266388.db2.gz CMCBMZIBVDMTDF-GOSISDBHSA-N 0 1 393.281 3.291 20 0 GGADMN Cc1ccc(I)cc1NC(=O)N1CCN(C(C)C)CC1 ZINC000481941640 566267037 /nfs/dbraw/zinc/26/70/37/566267037.db2.gz AXTOVJINBKIQJN-UHFFFAOYSA-N 0 1 387.265 3.158 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCC[N@H+]1C ZINC000481933872 566267221 /nfs/dbraw/zinc/26/72/21/566267221.db2.gz RUXZPHPAWXFBHH-SKDRFNHKSA-N 0 1 383.880 3.024 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(I)c2)n[nH]1 ZINC000534965282 566267710 /nfs/dbraw/zinc/26/77/10/566267710.db2.gz QCVLDKUZPMIXSN-VIFPVBQESA-N 0 1 399.236 3.415 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(N2CCOCC2)CC1 ZINC000599472344 566267647 /nfs/dbraw/zinc/26/76/47/566267647.db2.gz SLGLPLKRYDLJIZ-QGZVFWFLSA-N 0 1 387.307 3.004 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](C)Cc2cccc(Br)c2)n[nH]1 ZINC000534992043 566268711 /nfs/dbraw/zinc/26/87/11/566268711.db2.gz AUZPZZQTGPZUJN-MNOVXSKESA-N 0 1 380.290 3.121 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n[nH]1 ZINC000534979035 566268766 /nfs/dbraw/zinc/26/87/66/566268766.db2.gz ZAJVBGROJXTEDY-QMMMGPOBSA-N 0 1 394.831 3.222 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000534980093 566268782 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C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)C1(CO)CCC1 ZINC000668801324 566269547 /nfs/dbraw/zinc/26/95/47/566269547.db2.gz DLIWRNITXMIYDV-UHFFFAOYSA-N 0 1 379.092 3.264 20 0 GGADMN CC[C@@]1(O)CCN([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC000509163653 566269753 /nfs/dbraw/zinc/26/97/53/566269753.db2.gz FUDOPGUREFOBDL-VQIMIIECSA-N 0 1 395.341 3.408 20 0 GGADMN CC1(C)CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000575409843 566270371 /nfs/dbraw/zinc/27/03/71/566270371.db2.gz LBKVHUFOXXLNAI-KDOFPFPSSA-N 0 1 390.307 3.003 20 0 GGADMN CC1(C)CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000575409844 566270471 /nfs/dbraw/zinc/27/04/71/566270471.db2.gz LBKVHUFOXXLNAI-KSSFIOAISA-N 0 1 390.307 3.003 20 0 GGADMN Cn1ccc(CNCCOc2ccc(Br)cc2C(F)(F)F)n1 ZINC000535005212 566271209 /nfs/dbraw/zinc/27/12/09/566271209.db2.gz YEOBQUKKJRPWJZ-UHFFFAOYSA-N 0 1 378.192 3.370 20 0 GGADMN Cc1ccccc1OCCCN(C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000556126913 566271446 /nfs/dbraw/zinc/27/14/46/566271446.db2.gz 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20 0 GGADMN C[C@H](CCc1ccc(I)cc1)NC(=O)CCc1cnc[nH]1 ZINC000509522404 566312325 /nfs/dbraw/zinc/31/23/25/566312325.db2.gz GNWILXXQUXKQII-GFCCVEGCSA-N 0 1 397.260 3.084 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000669582994 566312481 /nfs/dbraw/zinc/31/24/81/566312481.db2.gz WFFAPIKVECFZKK-JKSUJKDBSA-N 0 1 381.318 3.079 20 0 GGADMN CO[C@@H]1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC000482514341 566312593 /nfs/dbraw/zinc/31/25/93/566312593.db2.gz UEQSTFOFQDPHAJ-LLVKDONJSA-N 0 1 380.853 3.220 20 0 GGADMN C[C@H](CC(=O)NCc1nc2ccc(Cl)cc2[nH]1)n1cc(Br)cn1 ZINC000648779180 566313407 /nfs/dbraw/zinc/31/34/07/566313407.db2.gz DETSISPXNCWJOO-SECBINFHSA-N 0 1 396.676 3.443 20 0 GGADMN CCCCN(CC(N)=O)Cc1ccc(Br)c(Br)c1 ZINC000509543108 566314182 /nfs/dbraw/zinc/31/41/82/566314182.db2.gz NWUFCKKQTBHZQL-UHFFFAOYSA-N 0 1 378.108 3.299 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cn(-c3ccc(Br)cc3)nc2C)[C@H]1OC ZINC000482525176 566314016 /nfs/dbraw/zinc/31/40/16/566314016.db2.gz 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C[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)CN1C ZINC000509652836 566324564 /nfs/dbraw/zinc/32/45/64/566324564.db2.gz PIJNNDARRPGHOA-QWRGUYRKSA-N 0 1 375.694 3.032 20 0 GGADMN Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cn1 ZINC000535758200 566324720 /nfs/dbraw/zinc/32/47/20/566324720.db2.gz QRTFBAKOXUYRDW-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CCO[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H]1C ZINC000625457937 566325882 /nfs/dbraw/zinc/32/58/82/566325882.db2.gz CWUOUBLQLPVRGY-AFAVFJNCSA-N 0 1 381.314 3.449 20 0 GGADMN CO[C@H]1CCN([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC000509662941 566326374 /nfs/dbraw/zinc/32/63/74/566326374.db2.gz AJMFKQIBVNZJBZ-JKSUJKDBSA-N 0 1 381.314 3.282 20 0 GGADMN Cc1cc(SCC(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(C)cc1Br ZINC000576221443 566326669 /nfs/dbraw/zinc/32/66/69/566326669.db2.gz JPJFNJYPAJOQQR-GFCCVEGCSA-N 0 1 395.326 3.292 20 0 GGADMN CN(C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCN(C2CC2)C1 ZINC000576232798 566327191 /nfs/dbraw/zinc/32/71/91/566327191.db2.gz 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/nfs/dbraw/zinc/32/96/97/566329697.db2.gz BSFRZAMQXJAPDQ-AWEZNQCLSA-N 0 1 388.256 3.474 20 0 GGADMN COc1c(Br)ccc(F)c1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000648916964 566329915 /nfs/dbraw/zinc/32/99/15/566329915.db2.gz RKFQXFJEEVXBKZ-NSHDSACASA-N 0 1 385.277 3.153 20 0 GGADMN COc1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c(Br)c1 ZINC000420943981 566330240 /nfs/dbraw/zinc/33/02/40/566330240.db2.gz XBOFFJKWYCKURG-KSSFIOAISA-N 0 1 393.325 3.433 20 0 GGADMN O=C(N=c1ncn(Cc2cccc(Br)c2)[nH]1)c1ccc(C2CC2)cn1 ZINC000446121649 566330686 /nfs/dbraw/zinc/33/06/86/566330686.db2.gz HZIVIBVUCIHKON-UHFFFAOYSA-N 0 1 398.264 3.036 20 0 GGADMN O=C(N=c1ncn(Cc2ccc(Br)cc2)[nH]1)c1ccc(C2CC2)cn1 ZINC000446121255 566331018 /nfs/dbraw/zinc/33/10/18/566331018.db2.gz FWUWLOQFQRNQJD-UHFFFAOYSA-N 0 1 398.264 3.036 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)C1(C)C ZINC000576280458 566331448 /nfs/dbraw/zinc/33/14/48/566331448.db2.gz ZFQXQGMFJHKVLL-SJCJKPOMSA-N 0 1 380.539 3.354 20 0 GGADMN C[C@@H]1C[C@H](N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCO1 ZINC000420924106 566331512 /nfs/dbraw/zinc/33/15/12/566331512.db2.gz RTABTUVNLSRJFS-UKRRQHHQSA-N 0 1 387.307 3.084 20 0 GGADMN Cc1ccc(C(=O)N2CCSCC2)cc1NS(=O)(=O)c1ccsc1 ZINC000556793592 566331793 /nfs/dbraw/zinc/33/17/93/566331793.db2.gz QBENGPXISLMMEZ-UHFFFAOYSA-N 0 1 382.532 3.046 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 ZINC000669851143 566331863 /nfs/dbraw/zinc/33/18/63/566331863.db2.gz VWDYNMSHGIIRKC-GJZGRUSLSA-N 0 1 380.535 3.181 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CC[C@](C)(O)C2)C1=O ZINC000509701471 566331828 /nfs/dbraw/zinc/33/18/28/566331828.db2.gz WTRNYNCZXSZDBS-YJBOKZPZSA-N 0 1 381.314 3.018 20 0 GGADMN Clc1cccc(-n2cc(CNCCCOC[C@H]3CCCO3)nn2)c1Cl ZINC000535839315 566331891 /nfs/dbraw/zinc/33/18/91/566331891.db2.gz UPDKDMAGJYYVHC-CQSZACIVSA-N 0 1 385.295 3.249 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccsc1 ZINC000669851144 566331914 /nfs/dbraw/zinc/33/19/14/566331914.db2.gz VWDYNMSHGIIRKC-HUUCEWRRSA-N 0 1 380.535 3.181 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(C2CC2)cn1 ZINC000446155063 566333393 /nfs/dbraw/zinc/33/33/93/566333393.db2.gz ZDFCCZGOJIGYJN-UHFFFAOYSA-N 0 1 398.264 3.437 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(C2CC2)cn1 ZINC000446155063 566333400 /nfs/dbraw/zinc/33/34/00/566333400.db2.gz ZDFCCZGOJIGYJN-UHFFFAOYSA-N 0 1 398.264 3.437 20 0 GGADMN O=C(NCc1nnc[nH]1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000600324774 566333158 /nfs/dbraw/zinc/33/31/58/566333158.db2.gz PDNBSTFACDQJEF-INIZCTEOSA-N 0 1 387.237 3.004 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)c1cc(C)nc2ccc(Br)cc21 ZINC000556806914 566334078 /nfs/dbraw/zinc/33/40/78/566334078.db2.gz LYKNAPNHHKHBFX-CQSZACIVSA-N 0 1 376.298 3.472 20 0 GGADMN O=C(NCc1nnc[nH]1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000600328816 566334321 /nfs/dbraw/zinc/33/43/21/566334321.db2.gz DRBVBSNBPCRMGJ-INIZCTEOSA-N 0 1 387.237 3.004 20 0 GGADMN O=C(NCc1nnc[nH]1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000600328817 566334614 /nfs/dbraw/zinc/33/46/14/566334614.db2.gz DRBVBSNBPCRMGJ-MRXNPFEDSA-N 0 1 387.237 3.004 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCCN(CCCc3ccccc3)CC2)s1 ZINC000509753200 566334648 /nfs/dbraw/zinc/33/46/48/566334648.db2.gz XTLGTXQRVUKMRH-UHFFFAOYSA-N 0 1 378.563 3.386 20 0 GGADMN CC[C@@H](C)n1ncc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1C ZINC000482798441 566334735 /nfs/dbraw/zinc/33/47/35/566334735.db2.gz GZWVILAJIUQGJW-SNVBAGLBSA-N 0 1 384.889 3.440 20 0 GGADMN CN(CC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000462641749 566334799 /nfs/dbraw/zinc/33/47/99/566334799.db2.gz MMIBXFOWZKGPMT-BPUTZDHNSA-N 0 1 383.355 3.249 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000625549695 566335554 /nfs/dbraw/zinc/33/55/54/566335554.db2.gz MFSWWPMTCDJEGP-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN COC1([C@H](C)NCc2nc(-c3cccc(Br)c3)no2)CCOCC1 ZINC000421026559 566335851 /nfs/dbraw/zinc/33/58/51/566335851.db2.gz FNZGMYAZVOCKEC-LBPRGKRZSA-N 0 1 396.285 3.173 20 0 GGADMN OCC[C@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000421039523 566338252 /nfs/dbraw/zinc/33/82/52/566338252.db2.gz MLDBBJQHESKBCL-ZDUSSCGKSA-N 0 1 380.286 3.484 20 0 GGADMN C[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2n[nH]cc2c1 ZINC000556853664 566338429 /nfs/dbraw/zinc/33/84/29/566338429.db2.gz ANPMIVQYLOFPCU-LLVKDONJSA-N 0 1 398.264 3.184 20 0 GGADMN OCC[C@@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000421039521 566338511 /nfs/dbraw/zinc/33/85/11/566338511.db2.gz MLDBBJQHESKBCL-CYBMUJFWSA-N 0 1 380.286 3.484 20 0 GGADMN O=C([O-])C[N@@H+](CCOC[C@H]1CCCO1)CCc1ccc(Cl)cc1Cl ZINC000576353511 566338577 /nfs/dbraw/zinc/33/85/77/566338577.db2.gz XZIARFOQVLOLFD-OAHLLOKOSA-N 0 1 376.280 3.118 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)NCc1cc(Cl)cc(Br)c1 ZINC000556861915 566339189 /nfs/dbraw/zinc/33/91/89/566339189.db2.gz HXUQKLYPIDDAOQ-UHFFFAOYSA-N 0 1 384.665 3.097 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cc(F)c(F)cc2Br)C1 ZINC000556867789 566340054 /nfs/dbraw/zinc/34/00/54/566340054.db2.gz YZBFZIPFALQRQV-MNOVXSKESA-N 0 1 382.270 3.173 20 0 GGADMN O=C1CCCCN1CCCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535958298 566340409 /nfs/dbraw/zinc/34/04/09/566340409.db2.gz LRVXDQFOQUXHQG-UHFFFAOYSA-N 0 1 382.295 3.066 20 0 GGADMN CC[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(Cl)c1F ZINC000576378710 566340504 /nfs/dbraw/zinc/34/05/04/566340504.db2.gz AYSOQLCJGOYWGE-CJNGLKHVSA-N 0 1 391.940 3.181 20 0 GGADMN O=C(NCc1nn[nH]n1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000600498819 566341682 /nfs/dbraw/zinc/34/16/82/566341682.db2.gz YLIOSKKHRWYLFY-UHFFFAOYSA-N 0 1 378.219 3.016 20 0 GGADMN Cc1c([C@@H](C)NC[C@@](C)(O)C2CC2)nnn1-c1cccc(Br)c1 ZINC000482899892 566341555 /nfs/dbraw/zinc/34/15/55/566341555.db2.gz ZCUHGEDLAXMNHP-PIGZYNQJSA-N 0 1 379.302 3.150 20 0 GGADMN CCn1cc(CN(CCO)CCC(=O)Nc2cc(Cl)ccc2Cl)cn1 ZINC000482895220 566341693 /nfs/dbraw/zinc/34/16/93/566341693.db2.gz SIYYJIJZAVWRTN-UHFFFAOYSA-N 0 1 385.295 3.033 20 0 GGADMN O=C1CCOc2ccc(S(=O)(=O)Nc3nc4c(s3)CCCCC4)cc21 ZINC000556907607 566343415 /nfs/dbraw/zinc/34/34/15/566343415.db2.gz KSKLUAPZSWSSQW-UHFFFAOYSA-N 0 1 378.475 3.178 20 0 GGADMN COC[C@H](C)Cc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000576416467 566343557 /nfs/dbraw/zinc/34/35/57/566343557.db2.gz DQQWOVCPBLSLDM-SECBINFHSA-N 0 1 378.230 3.109 20 0 GGADMN COC[C@@H](C)Cc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000576416468 566343895 /nfs/dbraw/zinc/34/38/95/566343895.db2.gz DQQWOVCPBLSLDM-VIFPVBQESA-N 0 1 378.230 3.109 20 0 GGADMN COc1ccccc1[C@@H](C)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000556922095 566344223 /nfs/dbraw/zinc/34/42/23/566344223.db2.gz RPIKALYBBDGLKY-CQSZACIVSA-N 0 1 382.913 3.286 20 0 GGADMN COc1ccccc1[C@H](C)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000556922094 566344671 /nfs/dbraw/zinc/34/46/71/566344671.db2.gz RPIKALYBBDGLKY-AWEZNQCLSA-N 0 1 382.913 3.286 20 0 GGADMN CC[C@H](C)[C@@H](O)CN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000482965687 566345409 /nfs/dbraw/zinc/34/54/09/566345409.db2.gz UWDVIPOTZFOFQW-OZVIIMIRSA-N 0 1 381.318 3.396 20 0 GGADMN CC(C)[C@H](C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)N(C)C ZINC000649124699 566345700 /nfs/dbraw/zinc/34/57/00/566345700.db2.gz NTLZRUUMIVQXME-CYBMUJFWSA-N 0 1 383.315 3.492 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(n3cc(Br)cn3)CC2)[nH]1 ZINC000670067316 566346046 /nfs/dbraw/zinc/34/60/46/566346046.db2.gz HUKZRYMQLGGWFC-UHFFFAOYSA-N 0 1 388.269 3.308 20 0 GGADMN C[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H](C)C1(F)F ZINC000625650715 566347018 /nfs/dbraw/zinc/34/70/18/566347018.db2.gz QQCRNWBYCRBOLZ-GHMZBOCLSA-N 0 1 386.240 3.180 20 0 GGADMN Cc1c(NS(=O)(=O)c2cc(F)ccc2OC(F)F)cnn1CC(C)C ZINC000421144439 566347881 /nfs/dbraw/zinc/34/78/81/566347881.db2.gz BQGSLRRKDLKZFB-UHFFFAOYSA-N 0 1 377.388 3.389 20 0 GGADMN CC(=O)c1ccc(OC[C@@H](O)CNCc2ccccc2Br)cc1 ZINC000576457190 566348474 /nfs/dbraw/zinc/34/84/74/566348474.db2.gz ADTCDKPPKOWLKK-INIZCTEOSA-N 0 1 378.266 3.181 20 0 GGADMN CC(=O)c1ccc(OC[C@H](O)CNCc2ccccc2Br)cc1 ZINC000576457194 566348575 /nfs/dbraw/zinc/34/85/75/566348575.db2.gz ADTCDKPPKOWLKK-MRXNPFEDSA-N 0 1 378.266 3.181 20 0 GGADMN Cc1cccn2c(CNCC(=O)Nc3ccc(Br)c(C)c3)cnc12 ZINC000462740558 566348962 /nfs/dbraw/zinc/34/89/62/566348962.db2.gz BXJARFDRULDQNH-UHFFFAOYSA-N 0 1 387.281 3.442 20 0 GGADMN CC[C@@H](CS(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F)OC ZINC000421151643 566349236 /nfs/dbraw/zinc/34/92/36/566349236.db2.gz JFAWPFBQOBATHP-QMMMGPOBSA-N 0 1 375.340 3.056 20 0 GGADMN CC(C)(C)c1ncc(NS(=O)(=O)c2cc(F)ccc2OC(F)F)cn1 ZINC000421149970 566349767 /nfs/dbraw/zinc/34/97/67/566349767.db2.gz GSBIXEWVJWKMHK-UHFFFAOYSA-N 0 1 375.372 3.315 20 0 GGADMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1c(C)c(Br)ccc1O ZINC000421164201 566351406 /nfs/dbraw/zinc/35/14/06/566351406.db2.gz JYOKBEKVMMTJRJ-NSHDSACASA-N 0 1 380.304 3.266 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](C)C(F)(F)F ZINC000509973747 566352003 /nfs/dbraw/zinc/35/20/03/566352003.db2.gz TVQIUJGQACHRQG-LURJTMIESA-N 0 1 394.198 3.257 20 0 GGADMN O=C(NCCCCn1cc[nH+]c1)c1c([O-])cnc2c(Br)cccc21 ZINC000576506946 566352367 /nfs/dbraw/zinc/35/23/67/566352367.db2.gz XIWKNPDOYDNYHN-UHFFFAOYSA-N 0 1 389.253 3.110 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cscc1Br ZINC000556980549 566352407 /nfs/dbraw/zinc/35/24/07/566352407.db2.gz PNTUWZIBEYXTBB-CYBMUJFWSA-N 0 1 377.267 3.343 20 0 GGADMN COc1ccc(F)cc1CNC[C@H](O)COc1ccccc1Br ZINC000462790261 566352731 /nfs/dbraw/zinc/35/27/31/566352731.db2.gz HZIZRYVYXHUADD-AWEZNQCLSA-N 0 1 384.245 3.126 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cscc1Br ZINC000556980551 566352861 /nfs/dbraw/zinc/35/28/61/566352861.db2.gz PNTUWZIBEYXTBB-ZDUSSCGKSA-N 0 1 377.267 3.343 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN[C@@](C)(CO)c1ccccc1 ZINC000600648023 566353911 /nfs/dbraw/zinc/35/39/11/566353911.db2.gz XLLYZOKBWLYWNB-IBGZPJMESA-N 0 1 381.303 3.449 20 0 GGADMN CSc1cccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000509991519 566353865 /nfs/dbraw/zinc/35/38/65/566353865.db2.gz SMLPQIYYBANFOO-UHFFFAOYSA-N 0 1 386.608 3.048 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCc2cc(Cl)sc2Cl)C1 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GGADMN Cc1cc(Br)ccc1C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670392999 566358437 /nfs/dbraw/zinc/35/84/37/566358437.db2.gz NJEVDPAJQXDXSZ-INIZCTEOSA-N 0 1 381.314 3.084 20 0 GGADMN COc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC000576566105 566359230 /nfs/dbraw/zinc/35/92/30/566359230.db2.gz XTIGFHCCANEYBF-SECBINFHSA-N 0 1 393.075 3.127 20 0 GGADMN COc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC000576566105 566359235 /nfs/dbraw/zinc/35/92/35/566359235.db2.gz XTIGFHCCANEYBF-SECBINFHSA-N 0 1 393.075 3.127 20 0 GGADMN O=C(CCc1ccc(Br)cc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670392710 566359922 /nfs/dbraw/zinc/35/99/22/566359922.db2.gz GXPKPUXQMBBQMS-SFHVURJKSA-N 0 1 395.341 3.095 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1F ZINC000446619903 566359812 /nfs/dbraw/zinc/35/98/12/566359812.db2.gz KRARWHAOVOEVTM-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670392372 566360064 /nfs/dbraw/zinc/36/00/64/566360064.db2.gz 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Cc1c(Cl)c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)nn1C ZINC000421450249 566376183 /nfs/dbraw/zinc/37/61/83/566376183.db2.gz JHJHZGAQRIKGPN-UHFFFAOYSA-N 0 1 378.929 3.491 20 0 GGADMN CCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)c1nn[nH]n1 ZINC000626024530 566376932 /nfs/dbraw/zinc/37/69/32/566376932.db2.gz NQHIMLFQLUILSZ-NSHDSACASA-N 0 1 381.223 3.433 20 0 GGADMN CSc1cc2c(cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)OCCO2 ZINC000446977886 566377209 /nfs/dbraw/zinc/37/72/09/566377209.db2.gz SPXDXPZYURLCOW-BDJLRTHQSA-N 0 1 377.428 3.315 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000536482590 566377252 /nfs/dbraw/zinc/37/72/52/566377252.db2.gz VHMMZPXHUYZTNF-XDTLVQLUSA-N 0 1 378.274 3.046 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCc3c2cccc3Br)n[nH]1 ZINC000536483182 566377489 /nfs/dbraw/zinc/37/74/89/566377489.db2.gz UDWRFNYDKVZLBX-ZANVPECISA-N 0 1 378.274 3.177 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000536482588 566377550 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Cc1ccc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Br ZINC000536502674 566379577 /nfs/dbraw/zinc/37/95/77/566379577.db2.gz RDIJBMKSLROUBR-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000536501302 566379599 /nfs/dbraw/zinc/37/95/99/566379599.db2.gz FRIFWPGDJZJQMW-ZCFIWIBFSA-N 0 1 383.688 3.367 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2csc(-c3ccccc3)n2)n[nH]1 ZINC000536502359 566379864 /nfs/dbraw/zinc/37/98/64/566379864.db2.gz NIFBTCPMKHBUBK-LLVKDONJSA-N 0 1 377.495 3.091 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1C(F)(F)F ZINC000536501675 566380008 /nfs/dbraw/zinc/38/00/08/566380008.db2.gz JZLDHMYIEDICNH-SNVBAGLBSA-N 0 1 376.404 3.295 20 0 GGADMN CC[C@@H](C)N[C@H](CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccco1 ZINC000510391398 566380086 /nfs/dbraw/zinc/38/00/86/566380086.db2.gz BFWKPCLKUHSJEP-IUODEOHRSA-N 0 1 386.901 3.349 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1cc(OC)ccc1Cl)c1ccco1 ZINC000510395849 566380145 /nfs/dbraw/zinc/38/01/45/566380145.db2.gz SDNUMAAEQRSDBN-SWLSCSKDSA-N 0 1 386.901 3.349 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000670784663 566380567 /nfs/dbraw/zinc/38/05/67/566380567.db2.gz VBHPSIMHXKQZNZ-LLVKDONJSA-N 0 1 393.684 3.082 20 0 GGADMN C[C@H]1CN(CCOc2cc(F)cc(Br)c2)C[C@]2(CCCOC2)O1 ZINC000483410084 566380999 /nfs/dbraw/zinc/38/09/99/566380999.db2.gz BKQPVTSNMIKXSF-GUYCJALGSA-N 0 1 388.277 3.237 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)C1 ZINC000670784680 566381057 /nfs/dbraw/zinc/38/10/57/566381057.db2.gz YWCWMROEGDXETP-CYBMUJFWSA-N 0 1 389.721 3.252 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000670784664 566381326 /nfs/dbraw/zinc/38/13/26/566381326.db2.gz VBHPSIMHXKQZNZ-NSHDSACASA-N 0 1 393.684 3.082 20 0 GGADMN CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@H]1CCSC1 ZINC000536524242 566381705 /nfs/dbraw/zinc/38/17/05/566381705.db2.gz NZCHXTFYCVHNKR-CABCVRRESA-N 0 1 375.563 3.440 20 0 GGADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cncc(Cl)c3C)ccc21 ZINC000649646336 566382166 /nfs/dbraw/zinc/38/21/66/566382166.db2.gz NYQAOENMPUSLNY-UHFFFAOYSA-N 0 1 379.869 3.143 20 0 GGADMN COc1cc2nc(NC(=O)c3ccc(Br)c(O)c3)[nH]c2cc1OC ZINC000536536284 566382592 /nfs/dbraw/zinc/38/25/92/566382592.db2.gz NRNRADROOIOUGN-UHFFFAOYSA-N 0 1 392.209 3.301 20 0 GGADMN CN1CCCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000600985382 566382474 /nfs/dbraw/zinc/38/24/74/566382474.db2.gz ATAJGCYMYKATMF-KRWDZBQOSA-N 0 1 395.341 3.098 20 0 GGADMN O=S(=O)(Nc1cnccc1-n1cccn1)c1cc(Cl)sc1Cl ZINC000557416795 566383767 /nfs/dbraw/zinc/38/37/67/566383767.db2.gz AMMABQWCCAMSPH-UHFFFAOYSA-N 0 1 375.262 3.436 20 0 GGADMN O=C1[C@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1CC(F)(F)F ZINC000626101550 566383959 /nfs/dbraw/zinc/38/39/59/566383959.db2.gz WYYAHUJDZBWSGB-QWHCGFSZSA-N 0 1 385.213 3.170 20 0 GGADMN COC(=O)CCN(Cc1ccc(OC)nc1)Cc1cccc(Br)c1 ZINC000483438827 566383993 /nfs/dbraw/zinc/38/39/93/566383993.db2.gz ZJSWDQIWQDSDBW-UHFFFAOYSA-N 0 1 393.281 3.418 20 0 GGADMN CC(C)(C)[NH+]=c1[n-]nc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCCO1 ZINC000463105742 566384133 /nfs/dbraw/zinc/38/41/33/566384133.db2.gz HDOJHHZSCARXMP-GFCCVEGCSA-N 0 1 382.306 3.237 20 0 GGADMN C[C@@H](CSc1ccccc1)N(C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000649665318 566384391 /nfs/dbraw/zinc/38/43/91/566384391.db2.gz HRGDDXSTGFZNQU-AWEZNQCLSA-N 0 1 375.519 3.121 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)s1 ZINC000510467491 566384339 /nfs/dbraw/zinc/38/43/39/566384339.db2.gz MSWZBGDHUMFPOQ-PWSUYJOCSA-N 0 1 393.372 3.066 20 0 GGADMN COCC[C@@]1(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCOC1 ZINC000447077696 566384790 /nfs/dbraw/zinc/38/47/90/566384790.db2.gz OLZMDNYIWQINTP-QGZVFWFLSA-N 0 1 380.286 3.124 20 0 GGADMN CCN1CCCC[C@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000447077429 566384825 /nfs/dbraw/zinc/38/48/25/566384825.db2.gz LJCZSRRHQKOZCL-KRWDZBQOSA-N 0 1 391.313 3.125 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000510470308 566385005 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Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000510501143 566387592 /nfs/dbraw/zinc/38/75/92/566387592.db2.gz IFUFJYIYHBDKPH-JQWIXIFHSA-N 0 1 393.372 3.066 20 0 GGADMN COc1ccc(CNCc2ccc3c(c2)NC(=O)CO3)cc1Br ZINC000510491302 566387616 /nfs/dbraw/zinc/38/76/16/566387616.db2.gz NYIXHBVOFXRDGX-UHFFFAOYSA-N 0 1 377.238 3.078 20 0 GGADMN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000510487591 566388129 /nfs/dbraw/zinc/38/81/29/566388129.db2.gz BGRXJWVTRKUYCE-DGCLKSJQSA-N 0 1 380.407 3.092 20 0 GGADMN CCc1ccc(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000536638902 566388467 /nfs/dbraw/zinc/38/84/67/566388467.db2.gz MTAYAKLMZPEFDW-UHFFFAOYSA-N 0 1 382.526 3.393 20 0 GGADMN CN(CCCNC(=O)C1CCC1)Cc1nc2ccc(Br)cc2o1 ZINC000463192867 566389147 /nfs/dbraw/zinc/38/91/47/566389147.db2.gz MJZSEVSTKCJYGM-UHFFFAOYSA-N 0 1 380.286 3.329 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000510517601 566389415 /nfs/dbraw/zinc/38/94/15/566389415.db2.gz JRYZOVSSEYTKDB-NWDGAFQWSA-N 0 1 380.407 3.092 20 0 GGADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000510517600 566389653 /nfs/dbraw/zinc/38/96/53/566389653.db2.gz JRYZOVSSEYTKDB-NEPJUHHUSA-N 0 1 380.407 3.092 20 0 GGADMN COC[C@@H](C)OC[C@@H](O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000447159954 566390419 /nfs/dbraw/zinc/39/04/19/566390419.db2.gz WRSMBFPYHJOAHE-CJNGLKHVSA-N 0 1 392.309 3.211 20 0 GGADMN Cc1ncc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cn1 ZINC000536658094 566390664 /nfs/dbraw/zinc/39/06/64/566390664.db2.gz YWMLDKVXJPMJLT-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1nc2ccc(Br)cc2o1 ZINC000463214524 566391097 /nfs/dbraw/zinc/39/10/97/566391097.db2.gz SLGIPZKYWONPKS-ZDUSSCGKSA-N 0 1 380.286 3.471 20 0 GGADMN CC(=O)NCC[C@@H]1CCCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000463207334 566391477 /nfs/dbraw/zinc/39/14/77/566391477.db2.gz UMALYLJDNMQUPU-ZDUSSCGKSA-N 0 1 380.286 3.329 20 0 GGADMN COc1ccccc1COC[C@H](O)CNCc1ccsc1Br ZINC000576937144 566391487 /nfs/dbraw/zinc/39/14/87/566391487.db2.gz WXZNTTNAAWYRIN-CQSZACIVSA-N 0 1 386.311 3.187 20 0 GGADMN O=C([O-])CC1(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000576949643 566393243 /nfs/dbraw/zinc/39/32/43/566393243.db2.gz QUBPXHCZUQPTSF-UHFFFAOYSA-N 0 1 377.794 3.131 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000510560949 566394645 /nfs/dbraw/zinc/39/46/45/566394645.db2.gz UQLDSWHDCZJAHH-CMPLNLGQSA-N 0 1 381.300 3.380 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CCC([C@H](C)CO)CC2)ccc1Br ZINC000649801457 566394967 /nfs/dbraw/zinc/39/49/67/566394967.db2.gz RLNIUUCFPDBYBI-ZIAGYGMSSA-N 0 1 383.330 3.425 20 0 GGADMN Cc1nc(S(=O)(=O)NC2(C)Cc3ccccc3C2)sc1Br ZINC000536684370 566395072 /nfs/dbraw/zinc/39/50/72/566395072.db2.gz WGSDOGLZCNKGIS-UHFFFAOYSA-N 0 1 387.324 3.050 20 0 GGADMN COc1cc(Br)c(CNC[C@](C)(CO)Cc2ccccc2)cc1O ZINC000483649078 566395375 /nfs/dbraw/zinc/39/53/75/566395375.db2.gz WFBCMZAOFRPRLY-LJQANCHMSA-N 0 1 394.309 3.494 20 0 GGADMN COc1ccc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c(Cl)c1Cl ZINC000510559405 566395409 /nfs/dbraw/zinc/39/54/09/566395409.db2.gz NXSQWUXBABCEGL-VXGBXAGGSA-N 0 1 393.336 3.249 20 0 GGADMN O=c1[n-]nc([C@H]2CCC[N@H+](Cc3ccc(Br)c4cccnc34)C2)o1 ZINC000670984613 566395687 /nfs/dbraw/zinc/39/56/87/566395687.db2.gz GQLNOXNKJRZQEI-LBPRGKRZSA-N 0 1 389.253 3.466 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccsc1)c1ccsc1 ZINC000670969815 566395945 /nfs/dbraw/zinc/39/59/45/566395945.db2.gz JORONLRZAOSCPW-BBRMVZONSA-N 0 1 379.551 3.186 20 0 GGADMN CC(=O)N1CCC(N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000483656239 566396042 /nfs/dbraw/zinc/39/60/42/566396042.db2.gz PTHXXCYOUNAUDM-LLVKDONJSA-N 0 1 393.285 3.161 20 0 GGADMN Fc1cc(Br)ccc1CCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000577010196 566396635 /nfs/dbraw/zinc/39/66/35/566396635.db2.gz IMLPORDRWYIRGP-MRXNPFEDSA-N 0 1 390.260 3.413 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(I)cc1 ZINC000557561718 566396588 /nfs/dbraw/zinc/39/65/88/566396588.db2.gz STUNZIJPCFGPEW-CQSZACIVSA-N 0 1 387.265 3.095 20 0 GGADMN COC(=O)Cc1sccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000601269493 566398101 /nfs/dbraw/zinc/39/81/01/566398101.db2.gz GEKNYTMTXYVBET-OAHLLOKOSA-N 0 1 380.897 3.150 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Br ZINC000463287703 566398056 /nfs/dbraw/zinc/39/80/56/566398056.db2.gz KRCFVJCUGTWJDV-KBPBESRZSA-N 0 1 395.750 3.053 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1F ZINC000447257196 566398500 /nfs/dbraw/zinc/39/85/00/566398500.db2.gz NPEXMBLCGBFJTI-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000447257391 566398583 /nfs/dbraw/zinc/39/85/83/566398583.db2.gz AEEBDSKNNNMXLC-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000447256155 566398616 /nfs/dbraw/zinc/39/86/16/566398616.db2.gz JXFUWWJGHYJKNA-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)c1ccc(F)c(Br)c1 ZINC000463317197 566399154 /nfs/dbraw/zinc/39/91/54/566399154.db2.gz NAHDNORHXDLJTF-UHFFFAOYSA-N 0 1 377.257 3.376 20 0 GGADMN O=C(Nc1nnc(CC(F)(F)F)s1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000649846453 566399869 /nfs/dbraw/zinc/39/98/69/566399869.db2.gz JCVZICZBBLTACB-RQJHMYQMSA-N 0 1 377.310 3.329 20 0 GGADMN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447272496 566400440 /nfs/dbraw/zinc/40/04/40/566400440.db2.gz RQFYJEWKKBUZKM-UHFFFAOYSA-N 0 1 382.869 3.208 20 0 GGADMN Cc1ccc(NC(=O)CCN[C@@H](CCO)c2ccccc2Br)nc1 ZINC000447299753 566401653 /nfs/dbraw/zinc/40/16/53/566401653.db2.gz UCXIGYDKIBAEFP-INIZCTEOSA-N 0 1 392.297 3.194 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(Br)c(OC)c2)CCN1CCOC ZINC000626319928 566402358 /nfs/dbraw/zinc/40/23/58/566402358.db2.gz FLMMMAUVOYTZQG-OAHLLOKOSA-N 0 1 399.329 3.031 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)ccn1 ZINC000463361417 566402420 /nfs/dbraw/zinc/40/24/20/566402420.db2.gz NTDXRJIVSCKPLZ-ZDUSSCGKSA-N 0 1 395.297 3.465 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000447318965 566403507 /nfs/dbraw/zinc/40/35/07/566403507.db2.gz VOWAYXAHPZCDRH-AAEUAGOBSA-N 0 1 381.822 3.350 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000510674298 566404042 /nfs/dbraw/zinc/40/40/42/566404042.db2.gz IJHAPWYUULMDQB-XQQFMLRXSA-N 0 1 379.555 3.176 20 0 GGADMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000536830531 566404443 /nfs/dbraw/zinc/40/44/43/566404443.db2.gz DKEDSSXKJGAJGU-GXTWGEPZSA-N 0 1 379.444 3.367 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000671167128 566404412 /nfs/dbraw/zinc/40/44/12/566404412.db2.gz LLEIZMNLUNKCDM-UHFFFAOYSA-N 0 1 378.837 3.001 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(F)c(Cl)c2)s1 ZINC000536836957 566405095 /nfs/dbraw/zinc/40/50/95/566405095.db2.gz BZLXJCULKIDPOJ-LLVKDONJSA-N 0 1 376.906 3.478 20 0 GGADMN CC(C)c1n[nH]c(C(=O)N2CCN(C3CCCCC3)CC2)c1Br ZINC000483868146 566405185 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O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1C(F)(F)F ZINC000671674973 566437488 /nfs/dbraw/zinc/43/74/88/566437488.db2.gz MKQHUQDOFZDMPG-GFCCVEGCSA-N 0 1 382.835 3.121 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)N[C@H]2CCc3c2cccc3Br)n[nH]1 ZINC000577465730 566437592 /nfs/dbraw/zinc/43/75/92/566437592.db2.gz FYEQGTXRJSPXRX-ZDUSSCGKSA-N 0 1 392.301 3.351 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)C[C@@H](O)C2CC2)C1=O ZINC000671683333 566438241 /nfs/dbraw/zinc/43/82/41/566438241.db2.gz PLLIRXUWWYXWPO-DLBZAZTESA-N 0 1 395.341 3.264 20 0 GGADMN C[C@@](O)(CNCc1cc(Br)ccc1OC(F)F)C(F)(F)F ZINC000537326727 566438727 /nfs/dbraw/zinc/43/87/27/566438727.db2.gz CSDWQQZQXSAATJ-LLVKDONJSA-N 0 1 378.135 3.453 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)C[C@H](O)C2CC2)C1=O ZINC000671683335 566438764 /nfs/dbraw/zinc/43/87/64/566438764.db2.gz PLLIRXUWWYXWPO-IRXDYDNUSA-N 0 1 395.341 3.264 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC[C@@H]1Cc1ccccc1Br ZINC000422178080 566439277 /nfs/dbraw/zinc/43/92/77/566439277.db2.gz 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CCO[C@H]1COCC[C@H]1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000484638769 566443522 /nfs/dbraw/zinc/44/35/22/566443522.db2.gz FNAYVENUMTYWRF-OCCSQVGLSA-N 0 1 380.794 3.081 20 0 GGADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1occc1Br ZINC000511174198 566443823 /nfs/dbraw/zinc/44/38/23/566443823.db2.gz SPUIZEBBUGUJLN-UHFFFAOYSA-N 0 1 395.644 3.453 20 0 GGADMN O=C1[C@@H](N(CCCO)Cc2cccc(Cl)c2)CCCN1CC(F)(F)F ZINC000447887334 566443907 /nfs/dbraw/zinc/44/39/07/566443907.db2.gz BJLJDHFUDGMDGS-HNNXBMFYSA-N 0 1 378.822 3.078 20 0 GGADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Br)o1 ZINC000511177347 566444301 /nfs/dbraw/zinc/44/43/01/566444301.db2.gz WRDBEPACJDTYIK-UHFFFAOYSA-N 0 1 395.644 3.453 20 0 GGADMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)CSc1nncs1 ZINC000650259383 566444329 /nfs/dbraw/zinc/44/43/29/566444329.db2.gz XXWDUASQQYVDSY-SOUVJXGZSA-N 0 1 376.551 3.140 20 0 GGADMN Cc1nn(C)c(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1Br ZINC000447900043 566444562 /nfs/dbraw/zinc/44/45/62/566444562.db2.gz 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ZINC000447896184 566445897 /nfs/dbraw/zinc/44/58/97/566445897.db2.gz IECOBMYFEOGING-CYBMUJFWSA-N 0 1 381.293 3.389 20 0 GGADMN Cc1cc([C@H](C)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)sc1Br ZINC000671716403 566445968 /nfs/dbraw/zinc/44/59/68/566445968.db2.gz SIMMCLCIJTWDHJ-MDZLAQPJSA-N 0 1 397.342 3.397 20 0 GGADMN CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000511238016 566447162 /nfs/dbraw/zinc/44/71/62/566447162.db2.gz BXGGBRLQTGZQNV-UHFFFAOYSA-N 0 1 393.322 3.085 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCCO[C@@H](C)C3)C2=O)ccc1Br ZINC000464101819 566447634 /nfs/dbraw/zinc/44/76/34/566447634.db2.gz NGNMOIDNQGZLMI-WMLDXEAASA-N 0 1 381.314 3.364 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744358 566447928 /nfs/dbraw/zinc/44/79/28/566447928.db2.gz UQEJZXGFGABSQP-NSHDSACASA-N 0 1 380.853 3.311 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671744357 566447935 /nfs/dbraw/zinc/44/79/35/566447935.db2.gz UQEJZXGFGABSQP-LLVKDONJSA-N 0 1 380.853 3.311 20 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C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCCc1cccc(Br)c1 ZINC000673138997 566524880 /nfs/dbraw/zinc/52/48/80/566524880.db2.gz MJNMUXREVFLYCM-OAHLLOKOSA-N 0 1 397.357 3.075 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC[C@@H]1CCCO1 ZINC000449063649 566525349 /nfs/dbraw/zinc/52/53/49/566525349.db2.gz NKLXOQPXIQWTRY-ZDUSSCGKSA-N 0 1 384.263 3.234 20 0 GGADMN CC(C)Nc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000628043955 566525657 /nfs/dbraw/zinc/52/56/57/566525657.db2.gz AVWSKZPSVAKJPZ-UHFFFAOYSA-N 0 1 382.873 3.179 20 0 GGADMN CCOCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449067209 566525616 /nfs/dbraw/zinc/52/56/16/566525616.db2.gz JJYICZOJEAWNHH-UHFFFAOYSA-N 0 1 386.279 3.482 20 0 GGADMN C[C@H](NC(=O)c1ncn[nH]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000512328324 566526600 /nfs/dbraw/zinc/52/66/00/566526600.db2.gz JOVZQLXABDZQBP-QMMMGPOBSA-N 0 1 378.255 3.182 20 0 GGADMN C[C@H](NC(=O)c1nc[nH]n1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000512328324 566526605 /nfs/dbraw/zinc/52/66/05/566526605.db2.gz 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O=S(=O)(Cc1cccc(Cl)c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673560050 566542284 /nfs/dbraw/zinc/54/22/84/566542284.db2.gz FGLOAILMJQSVDF-IBGZPJMESA-N 0 1 378.925 3.424 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@H]2CCC[C@H]21 ZINC000449258668 566542933 /nfs/dbraw/zinc/54/29/33/566542933.db2.gz NXMFRZLBFSLVLP-WOSRLPQWSA-N 0 1 381.314 3.337 20 0 GGADMN O=S(=O)(NCc1ccc(F)cc1Br)c1c(F)cccc1F ZINC000512555621 566543015 /nfs/dbraw/zinc/54/30/15/566543015.db2.gz WKIOASCXFGXUOQ-UHFFFAOYSA-N 0 1 380.185 3.345 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000673577258 566543864 /nfs/dbraw/zinc/54/38/64/566543864.db2.gz GZHHRHYBSVZULA-KXBFYZLASA-N 0 1 376.547 3.350 20 0 GGADMN Cc1oc(Br)cc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000424607142 566545292 /nfs/dbraw/zinc/54/52/92/566545292.db2.gz QTSCECZUQZCUEF-UHFFFAOYSA-N 0 1 378.270 3.140 20 0 GGADMN O=S(=O)(CCCNCc1cc(C(F)(F)F)n[nH]1)c1ccc(Cl)cc1 ZINC000559358398 566546123 /nfs/dbraw/zinc/54/61/23/566546123.db2.gz HKLYOQDXGUOXLY-UHFFFAOYSA-N 0 1 381.807 3.036 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000673614822 566546385 /nfs/dbraw/zinc/54/63/85/566546385.db2.gz YNSCFDBWRYCNKQ-OAHLLOKOSA-N 0 1 376.503 3.437 20 0 GGADMN CCN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H](C)CO ZINC000559378624 566547630 /nfs/dbraw/zinc/54/76/30/566547630.db2.gz PELFQTVBQLUZIM-VIFPVBQESA-N 0 1 383.208 3.109 20 0 GGADMN O=C(c1ccc(Br)c(O)c1)N1CCN2CCOc3cccc1c32 ZINC000538916244 566547879 /nfs/dbraw/zinc/54/78/79/566547879.db2.gz MFOIPIGXNHCNNV-UHFFFAOYSA-N 0 1 375.222 3.014 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCc1cc(Cl)sc1Cl ZINC000538910013 566548141 /nfs/dbraw/zinc/54/81/41/566548141.db2.gz JZIXMUVSNSEXDN-MRVPVSSYSA-N 0 1 397.287 3.366 20 0 GGADMN Cc1nnc(SCC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[nH]1 ZINC000673638618 566548173 /nfs/dbraw/zinc/54/81/73/566548173.db2.gz WGSPNDLMRVQJQY-HTQZYQBOSA-N 0 1 390.353 3.231 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000673638618 566548180 /nfs/dbraw/zinc/54/81/80/566548180.db2.gz WGSPNDLMRVQJQY-HTQZYQBOSA-N 0 1 390.353 3.231 20 0 GGADMN CC(=O)NCCN(Cc1cccc(Br)c1F)C1CCSCC1 ZINC000449314617 566548344 /nfs/dbraw/zinc/54/83/44/566548344.db2.gz RIJCOZLXVLMMAU-UHFFFAOYSA-N 0 1 389.334 3.422 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1cc(Cl)sc1Cl)N1CCN(C)CC1 ZINC000538914278 566548478 /nfs/dbraw/zinc/54/84/78/566548478.db2.gz ZENXXBBYEQYVKE-CYBMUJFWSA-N 0 1 393.384 3.126 20 0 GGADMN Cc1nnc(SCC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[nH]1 ZINC000673638621 566549144 /nfs/dbraw/zinc/54/91/44/566549144.db2.gz WGSPNDLMRVQJQY-YUMQZZPRSA-N 0 1 390.353 3.231 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000673638621 566549151 /nfs/dbraw/zinc/54/91/51/566549151.db2.gz WGSPNDLMRVQJQY-YUMQZZPRSA-N 0 1 390.353 3.231 20 0 GGADMN CC[C@@H](NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(Cl)s1 ZINC000512664562 566549356 /nfs/dbraw/zinc/54/93/56/566549356.db2.gz AEQCSBIXDZOVRS-CABCVRRESA-N 0 1 386.993 3.424 20 0 GGADMN Cc1nc(S(=O)(=O)NCCc2cccc(C)c2)sc1Br ZINC000538938871 566549381 /nfs/dbraw/zinc/54/93/81/566549381.db2.gz KJRYPOXJILZMSS-UHFFFAOYSA-N 0 1 375.313 3.043 20 0 GGADMN Cc1cc(NC(=O)CN2CCC[C@@](CO)(C(C)C)C2)ccc1Br ZINC000559424793 566549487 /nfs/dbraw/zinc/54/94/87/566549487.db2.gz KJWJNFRODANMKS-GOSISDBHSA-N 0 1 383.330 3.427 20 0 GGADMN Brc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc[nH]3)C1)OCCO2 ZINC000673712066 566551725 /nfs/dbraw/zinc/55/17/25/566551725.db2.gz NLVQIXUCWDSHPH-GFCCVEGCSA-N 0 1 378.270 3.323 20 0 GGADMN O=C(c1ccccc1I)N1CCN(CC2CCCC2)CC1 ZINC000604071398 566552235 /nfs/dbraw/zinc/55/22/35/566552235.db2.gz GVOHFZCZVZOUBK-UHFFFAOYSA-N 0 1 398.288 3.239 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1cccc(Br)c1 ZINC000578761071 566552513 /nfs/dbraw/zinc/55/25/13/566552513.db2.gz JYVFJHYVNPQEHV-GFCCVEGCSA-N 0 1 392.301 3.044 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000604058784 566552697 /nfs/dbraw/zinc/55/26/97/566552697.db2.gz RCFYVRXOGBLTIO-INIZCTEOSA-N 0 1 382.888 3.422 20 0 GGADMN O=C(c1ccc2cncn2c1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000559500937 566553364 /nfs/dbraw/zinc/55/33/64/566553364.db2.gz XZSKEFIDUXJVQS-KRWDZBQOSA-N 0 1 386.249 3.311 20 0 GGADMN O=C(NCc1n[nH]cc1Br)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000538981327 566553500 /nfs/dbraw/zinc/55/35/00/566553500.db2.gz ZJIMRRNLXKVXKQ-UHFFFAOYSA-N 0 1 385.172 3.308 20 0 GGADMN COCCN1CC[C@@H](NC(=O)c2sc3ccc(Br)cc3c2C)C1 ZINC000578772288 566553698 /nfs/dbraw/zinc/55/36/98/566553698.db2.gz DALUUCIITTVMPW-CYBMUJFWSA-N 0 1 397.338 3.423 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)Cc2cccc(F)c2)c(OC)c1 ZINC000449364473 566553936 /nfs/dbraw/zinc/55/39/36/566553936.db2.gz QUBZEQNEDWFKOS-CQSZACIVSA-N 0 1 398.272 3.299 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000604088486 566554096 /nfs/dbraw/zinc/55/40/96/566554096.db2.gz CASFTZFJVPPOIG-CYBMUJFWSA-N 0 1 390.281 3.069 20 0 GGADMN COc1cc(CNC(=O)c2ccc3cncn3c2)cc(Br)c1OC ZINC000559497656 566554322 /nfs/dbraw/zinc/55/43/22/566554322.db2.gz HDWQIYCZKUDYGS-UHFFFAOYSA-N 0 1 390.237 3.044 20 0 GGADMN C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)CC1(C)COC1 ZINC000628424110 566554571 /nfs/dbraw/zinc/55/45/71/566554571.db2.gz YTMVMBPFCYMNOO-UHFFFAOYSA-N 0 1 379.092 3.386 20 0 GGADMN COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1Br ZINC000486075816 566554656 /nfs/dbraw/zinc/55/46/56/566554656.db2.gz NFQCMFCGCLKMOR-UHFFFAOYSA-N 0 1 399.266 3.082 20 0 GGADMN Cc1sc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1Br ZINC000424666023 566555456 /nfs/dbraw/zinc/55/54/56/566555456.db2.gz RRDOKPFJCWFJKG-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](C)C1 ZINC000512774839 566555708 /nfs/dbraw/zinc/55/57/08/566555708.db2.gz JIIGIFYSPROJLS-VXGBXAGGSA-N 0 1 382.423 3.243 20 0 GGADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000539054502 566555801 /nfs/dbraw/zinc/55/58/01/566555801.db2.gz WMBPAAGBHUHYGD-WBMJQRKESA-N 0 1 379.444 3.367 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](C)C1 ZINC000512774838 566555846 /nfs/dbraw/zinc/55/58/46/566555846.db2.gz JIIGIFYSPROJLS-NWDGAFQWSA-N 0 1 382.423 3.243 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](C)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000539054836 566556594 /nfs/dbraw/zinc/55/65/94/566556594.db2.gz SEXNNACGWYUGTB-GFCCVEGCSA-N 0 1 388.942 3.348 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCN(C2CCC2)CC1 ZINC000486085932 566556637 /nfs/dbraw/zinc/55/66/37/566556637.db2.gz KTFJXTUACGNUOB-CYBMUJFWSA-N 0 1 398.320 3.399 20 0 GGADMN CSc1cc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccn1 ZINC000539037359 566556761 /nfs/dbraw/zinc/55/67/61/566556761.db2.gz KTRXJLWIXZYYMU-AWEZNQCLSA-N 0 1 377.535 3.194 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCC(NC(CF)CF)CC1 ZINC000449379715 566556937 /nfs/dbraw/zinc/55/69/37/566556937.db2.gz JWAGQSRRGNNBAE-UHFFFAOYSA-N 0 1 375.257 3.259 20 0 GGADMN CSc1cc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccn1 ZINC000539037360 566556786 /nfs/dbraw/zinc/55/67/86/566556786.db2.gz KTRXJLWIXZYYMU-CQSZACIVSA-N 0 1 377.535 3.194 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccc2c1oc(=O)n2C ZINC000512790684 566557006 /nfs/dbraw/zinc/55/70/06/566557006.db2.gz QJOXKPWTQJKKFO-UHFFFAOYSA-N 0 1 397.250 3.003 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000578835805 566557336 /nfs/dbraw/zinc/55/73/36/566557336.db2.gz NIPBZHNYAWBMMU-UHFFFAOYSA-N 0 1 379.448 3.348 20 0 GGADMN CCOCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)cc1 ZINC000512790117 566557367 /nfs/dbraw/zinc/55/73/67/566557367.db2.gz GUZCVOWUFKARTP-UHFFFAOYSA-N 0 1 383.853 3.464 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(F)cc1Br ZINC000486091169 566557566 /nfs/dbraw/zinc/55/75/66/566557566.db2.gz RCWPRHPJCQLAPA-IUIKQTSFSA-N 0 1 376.266 3.059 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c(OC)c(OC)c2)C[C@H]1C ZINC000559567284 566557686 /nfs/dbraw/zinc/55/76/86/566557686.db2.gz PNKAXROKQNSFEJ-VXGBXAGGSA-N 0 1 385.302 3.021 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CC1 ZINC000578835957 566557696 /nfs/dbraw/zinc/55/76/96/566557696.db2.gz HVLMOFZCTYIXRI-UHFFFAOYSA-N 0 1 379.291 3.388 20 0 GGADMN Cc1cc(N2CCC[C@H](N(C)CCn3cccn3)C2=O)ccc1Br ZINC000466206954 566558189 /nfs/dbraw/zinc/55/81/89/566558189.db2.gz XQTSXPKUZHWHJE-KRWDZBQOSA-N 0 1 391.313 3.081 20 0 GGADMN CC(C)(C[C@@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1)C(N)=O ZINC000449407685 566558776 /nfs/dbraw/zinc/55/87/76/566558776.db2.gz FQDFVIMKQPZCPY-LBPRGKRZSA-N 0 1 397.313 3.291 20 0 GGADMN O=C1[C@H](N[C@H]2CCc3c2cc(Br)cc3F)CCN1CC(F)(F)F ZINC000539080488 566558748 /nfs/dbraw/zinc/55/87/48/566558748.db2.gz UIUDGSFPMNWWRS-QWHCGFSZSA-N 0 1 395.194 3.328 20 0 GGADMN COC(=O)C[C@@H]1CCCCN1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000604305118 566559764 /nfs/dbraw/zinc/55/97/64/566559764.db2.gz UTNCEJOTTPCKBJ-AWEZNQCLSA-N 0 1 387.307 3.070 20 0 GGADMN Cc1cc(S(=O)(=O)N(CCN(C)C)Cc2ccc(F)cc2F)sc1C ZINC000539107156 566560198 /nfs/dbraw/zinc/56/01/98/566560198.db2.gz ORNUTENSEBOXJW-UHFFFAOYSA-N 0 1 388.505 3.396 20 0 GGADMN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(Br)c1 ZINC000449412583 566560373 /nfs/dbraw/zinc/56/03/73/566560373.db2.gz NJHKIVFOLGRUEN-DZGCQCFKSA-N 0 1 389.293 3.239 20 0 GGADMN COCCS(=O)(=O)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC000578882736 566562546 /nfs/dbraw/zinc/56/25/46/566562546.db2.gz PRNHFQSYTCULHO-UHFFFAOYSA-N 0 1 379.663 3.039 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000539140187 566563229 /nfs/dbraw/zinc/56/32/29/566563229.db2.gz JVWVXXJRSHVQSX-QFYYESIMSA-N 0 1 378.270 3.167 20 0 GGADMN O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1c(Cl)ccc(F)c1F ZINC000559639015 566563369 /nfs/dbraw/zinc/56/33/69/566563369.db2.gz MXFLFYIVTCUDCN-LBPRGKRZSA-N 0 1 386.851 3.423 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)s1 ZINC000673885832 566563810 /nfs/dbraw/zinc/56/38/10/566563810.db2.gz YUCHEMAWUBGOGI-UHFFFAOYSA-N 0 1 381.813 3.142 20 0 GGADMN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000449452824 566563870 /nfs/dbraw/zinc/56/38/70/566563870.db2.gz LUWBLDFPQFUPKO-GOSISDBHSA-N 0 1 393.281 3.009 20 0 GGADMN COC[C@]1(C(=O)OC)CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000449452522 566564401 /nfs/dbraw/zinc/56/44/01/566564401.db2.gz LEANUYBIKZIRDA-SFHVURJKSA-N 0 1 393.281 3.009 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)[nH]1 ZINC000628574322 566567089 /nfs/dbraw/zinc/56/70/89/566567089.db2.gz LOVPJSQNDJWTAJ-LURJTMIESA-N 0 1 391.241 3.123 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)n1 ZINC000628574322 566567093 /nfs/dbraw/zinc/56/70/93/566567093.db2.gz LOVPJSQNDJWTAJ-LURJTMIESA-N 0 1 391.241 3.123 20 0 GGADMN Cc1cc(CNCc2cccc(S(=O)(=O)N(C)C)c2)ccc1Br ZINC000449476007 566567379 /nfs/dbraw/zinc/56/73/79/566567379.db2.gz YOUFELIHDYABET-UHFFFAOYSA-N 0 1 397.338 3.298 20 0 GGADMN O=C(N1CCCC1)N1CCC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000512903911 566567948 /nfs/dbraw/zinc/56/79/48/566567948.db2.gz JJKDNFSKHOZYNS-HNNXBMFYSA-N 0 1 384.293 3.358 20 0 GGADMN O=S(=O)(NCCNCc1ccccc1F)c1cccc(Cl)c1Cl ZINC000512909229 566568128 /nfs/dbraw/zinc/56/81/28/566568128.db2.gz VDCKYQZACXBXOM-UHFFFAOYSA-N 0 1 377.268 3.201 20 0 GGADMN Cc1cc(Br)ccc1CNCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449470850 566568351 /nfs/dbraw/zinc/56/83/51/566568351.db2.gz LCKOUBHWZKJPIS-UHFFFAOYSA-N 0 1 397.338 3.298 20 0 GGADMN CN(Cc1cccc(O)c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000578956798 566568493 /nfs/dbraw/zinc/56/84/93/566568493.db2.gz VPEQWCJPUCPIGF-INIZCTEOSA-N 0 1 384.245 3.166 20 0 GGADMN CCOC(=O)CCN(Cc1nnc(-c2ccc(Br)o2)o1)CC1CC1 ZINC000604512348 566568684 /nfs/dbraw/zinc/56/86/84/566568684.db2.gz UASCQIRVHYIFFE-UHFFFAOYSA-N 0 1 398.257 3.257 20 0 GGADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(C)c(Br)c3)cc12 ZINC000539235747 566568812 /nfs/dbraw/zinc/56/88/12/566568812.db2.gz ZKTRYYPMHLXFNX-UHFFFAOYSA-N 0 1 381.255 3.138 20 0 GGADMN COCCN(C)CCN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000559751824 566568891 /nfs/dbraw/zinc/56/88/91/566568891.db2.gz CFKQCNXFQKHSBG-QGZVFWFLSA-N 0 1 385.277 3.438 20 0 GGADMN O=C1C[C@H](NCc2cncc(Br)c2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000466364970 566569009 /nfs/dbraw/zinc/56/90/09/566569009.db2.gz SMOGKVYIGYZRCC-KSZLIROESA-N 0 1 386.293 3.091 20 0 GGADMN COc1cc(C)c(Br)cc1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000512925474 566569592 /nfs/dbraw/zinc/56/95/92/566569592.db2.gz HSKRHBBJRRPUAO-UHFFFAOYSA-N 0 1 387.237 3.021 20 0 GGADMN COC(=O)c1ccc([C@H](C)N2CCC(n3cc(Br)cn3)CC2)o1 ZINC000539250203 566570090 /nfs/dbraw/zinc/57/00/90/566570090.db2.gz HCEUZJUFHSGTOB-NSHDSACASA-N 0 1 382.258 3.423 20 0 GGADMN CO[C@@](C)(CNCc1ncc(I)s1)c1ccccc1 ZINC000449484677 566570213 /nfs/dbraw/zinc/57/02/13/566570213.db2.gz NALWODNXBDWNPJ-AWEZNQCLSA-N 0 1 388.274 3.399 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NC1CCCCC1)c1ccc(Br)cc1 ZINC000539245042 566570483 /nfs/dbraw/zinc/57/04/83/566570483.db2.gz SYZROSAENSRPNF-GFCCVEGCSA-N 0 1 382.302 3.258 20 0 GGADMN O=C(CCc1ccc(Br)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000673990082 566570615 /nfs/dbraw/zinc/57/06/15/566570615.db2.gz SCKFXILXTPUGSG-SFHVURJKSA-N 0 1 395.341 3.095 20 0 GGADMN COc1cc(Cl)c(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512971228 566570740 /nfs/dbraw/zinc/57/07/40/566570740.db2.gz BJOAZMLNNWCGKX-AWEZNQCLSA-N 0 1 387.229 3.355 20 0 GGADMN Fc1ccc([C@H](NCCOc2ncc(Cl)cc2Cl)c2nnc[nH]2)cc1 ZINC000559789694 566571553 /nfs/dbraw/zinc/57/15/53/566571553.db2.gz RCNQPBUIWAHWIK-AWEZNQCLSA-N 0 1 382.226 3.404 20 0 GGADMN O=S(=O)(CCNCCNc1ncc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000578997489 566572140 /nfs/dbraw/zinc/57/21/40/566572140.db2.gz GPXLVYFGDOSUPS-UHFFFAOYSA-N 0 1 392.283 3.003 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(Br)c1O)c1c(F)cccc1F ZINC000604604730 566572445 /nfs/dbraw/zinc/57/24/45/566572445.db2.gz RTEPCBQPKSXMEN-CQSZACIVSA-N 0 1 399.235 3.466 20 0 GGADMN FC(F)(F)[C@H](CNCc1cnc(-c2cccs2)s1)N1CCOCC1 ZINC000512983595 566572833 /nfs/dbraw/zinc/57/28/33/566572833.db2.gz UJSVAFJCFQFPDP-ZDUSSCGKSA-N 0 1 377.457 3.224 20 0 GGADMN CCS(=O)(=O)c1cccc(CNCc2cn(C)nc2-c2cccs2)c1 ZINC000466402629 566573243 /nfs/dbraw/zinc/57/32/43/566573243.db2.gz YXGOJJSFGLFVHD-UHFFFAOYSA-N 0 1 375.519 3.232 20 0 GGADMN CC(C)(CNCc1cc(Cl)ccc1OCc1cccnc1)S(C)(=O)=O ZINC000674044605 566573474 /nfs/dbraw/zinc/57/34/74/566573474.db2.gz COGQJBSVFPSHMK-UHFFFAOYSA-N 0 1 382.913 3.227 20 0 GGADMN COc1cc(CNCC(C)(C)S(C)(=O)=O)ccc1OCc1cccs1 ZINC000674046528 566574232 /nfs/dbraw/zinc/57/42/32/566574232.db2.gz UCJNXBXJIKTMOV-UHFFFAOYSA-N 0 1 383.535 3.249 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cnc(C(C)C)s1 ZINC000513013223 566574598 /nfs/dbraw/zinc/57/45/98/566574598.db2.gz WXWPQEGOAJOLGS-UHFFFAOYSA-N 0 1 387.958 3.296 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000559903556 566574753 /nfs/dbraw/zinc/57/47/53/566574753.db2.gz XLCYSDQJQINZGI-WBMJQRKESA-N 0 1 390.281 3.309 20 0 GGADMN O[C@@H]1CCC[C@@H]1N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000674065367 566575324 /nfs/dbraw/zinc/57/53/24/566575324.db2.gz FIGGMQMPZPWNRY-LSDHHAIUSA-N 0 1 383.279 3.079 20 0 GGADMN O=C(Cc1ccc(Cl)s1)NCCCN1CCN(c2ccccc2)CC1 ZINC000513055216 566575661 /nfs/dbraw/zinc/57/56/61/566575661.db2.gz ZMNSGUZWSYNVCY-UHFFFAOYSA-N 0 1 377.941 3.273 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(Br)c1 ZINC000449558092 566575844 /nfs/dbraw/zinc/57/58/44/566575844.db2.gz VTYROUKWFXMFQA-INWMFGNUSA-N 0 1 382.298 3.219 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@@H]2C1 ZINC000449556829 566575858 /nfs/dbraw/zinc/57/58/58/566575858.db2.gz SZCZTXQBFRWJOW-IJEWVQPXSA-N 0 1 391.313 3.013 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@H]2C1 ZINC000449556834 566575905 /nfs/dbraw/zinc/57/59/05/566575905.db2.gz SZCZTXQBFRWJOW-SQWLQELKSA-N 0 1 391.313 3.013 20 0 GGADMN COCc1nocc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000486289087 566575956 /nfs/dbraw/zinc/57/59/56/566575956.db2.gz DBBWNKQGECZQDK-UHFFFAOYSA-N 0 1 395.238 3.354 20 0 GGADMN Cc1nn2c(CNCc3ccc(C[S@](C)=O)cc3)c(C(C)C)nc2s1 ZINC000513051595 566576168 /nfs/dbraw/zinc/57/61/68/566576168.db2.gz NEXINUWOHHTJIC-VWLOTQADSA-N 0 1 376.551 3.391 20 0 GGADMN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(Br)cn1)C(F)(F)F ZINC000604766705 566576146 /nfs/dbraw/zinc/57/61/46/566576146.db2.gz ZUUDKWKAIWVBSH-GJZGRUSLSA-N 0 1 389.215 3.468 20 0 GGADMN COc1cc([C@@H](C)NCc2cc(Br)c3c(c2)OCCO3)ccn1 ZINC000559920849 566576784 /nfs/dbraw/zinc/57/67/84/566576784.db2.gz KKAHFDQPQZORFU-LLVKDONJSA-N 0 1 379.254 3.475 20 0 GGADMN CN(CCN1CCCC1=O)Cc1ccc(OC(F)F)c(Br)c1 ZINC000539383503 566576846 /nfs/dbraw/zinc/57/68/46/566576846.db2.gz OPVPZWMDLICKEN-UHFFFAOYSA-N 0 1 377.229 3.105 20 0 GGADMN CSc1cc2c(cc1CNCc1ccc(C[S@](C)=O)cc1)OCCO2 ZINC000513069540 566577668 /nfs/dbraw/zinc/57/76/68/566577668.db2.gz OSLCAZNXKLJAPW-VWLOTQADSA-N 0 1 377.531 3.348 20 0 GGADMN COC(=O)CCOc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000539398637 566578525 /nfs/dbraw/zinc/57/85/25/566578525.db2.gz HRDJZGZILCODFO-UHFFFAOYSA-N 0 1 383.853 3.391 20 0 GGADMN Cc1ccccc1Cc1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000559969565 566580175 /nfs/dbraw/zinc/58/01/75/566580175.db2.gz FZTFIKHEEWWGOD-UHFFFAOYSA-N 0 1 383.882 3.162 20 0 GGADMN CNC(=O)COc1cccc(CNCc2cc(Cl)c(OC)cc2Cl)c1 ZINC000513107828 566580229 /nfs/dbraw/zinc/58/02/29/566580229.db2.gz XYZWAXMIDHSPDD-UHFFFAOYSA-N 0 1 383.275 3.417 20 0 GGADMN CC(C)[C@H]1CCN1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000539440196 566581237 /nfs/dbraw/zinc/58/12/37/566581237.db2.gz YOQKULPUYMRJKL-CQSZACIVSA-N 0 1 396.228 3.003 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)c(C)c1 ZINC000466523496 566581317 /nfs/dbraw/zinc/58/13/17/566581317.db2.gz XUYVJLQQZAUZKO-OAHLLOKOSA-N 0 1 389.807 3.119 20 0 GGADMN C[C@H]1OCC[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000559987954 566582094 /nfs/dbraw/zinc/58/20/94/566582094.db2.gz RIZJVEHDMXAGSU-LDYMZIIASA-N 0 1 376.214 3.177 20 0 GGADMN C[C@@H](c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1)n1cccn1 ZINC000559987389 566582136 /nfs/dbraw/zinc/58/21/36/566582136.db2.gz NCYKLXRYXMHTJJ-VIFPVBQESA-N 0 1 386.213 3.090 20 0 GGADMN C[C@H]1OCC[C@@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000559987950 566582436 /nfs/dbraw/zinc/58/24/36/566582436.db2.gz RIZJVEHDMXAGSU-KCJUWKMLSA-N 0 1 376.214 3.177 20 0 GGADMN Cn1cc(I)c(CNC2CCC(C(F)(F)F)CC2)n1 ZINC000449603852 566582500 /nfs/dbraw/zinc/58/25/00/566582500.db2.gz ICNXMKSQHFMJSW-UHFFFAOYSA-N 0 1 387.187 3.235 20 0 GGADMN COc1ccc([C@H](C)[C@H](C)NCc2nn(C)cc2I)cc1 ZINC000449604574 566582899 /nfs/dbraw/zinc/58/28/99/566582899.db2.gz KWPWTVVEQJHNSU-NEPJUHHUSA-N 0 1 399.276 3.315 20 0 GGADMN COc1ccc([C@H](C)[C@@H](C)NCc2nn(C)cc2I)cc1 ZINC000449604577 566583354 /nfs/dbraw/zinc/58/33/54/566583354.db2.gz KWPWTVVEQJHNSU-VXGBXAGGSA-N 0 1 399.276 3.315 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N(C)C ZINC000674283833 566583740 /nfs/dbraw/zinc/58/37/40/566583740.db2.gz HCSIAJIWMIHDCX-LBPRGKRZSA-N 0 1 381.885 3.029 20 0 GGADMN COC(=O)c1occc1CNC[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449605844 566583871 /nfs/dbraw/zinc/58/38/71/566583871.db2.gz ZTUMEPKSKVMDGP-CQSZACIVSA-N 0 1 396.281 3.078 20 0 GGADMN COc1ccc(C[C@@H](CO)CNCc2csc(C)n2)cc1Br ZINC000449604658 566584066 /nfs/dbraw/zinc/58/40/66/566584066.db2.gz XTLFIASYJXIMES-CYBMUJFWSA-N 0 1 385.327 3.163 20 0 GGADMN Cn1cc(Br)c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000486392252 566584325 /nfs/dbraw/zinc/58/43/25/566584325.db2.gz DWQRBAXZPQKXRI-UHFFFAOYSA-N 0 1 388.147 3.330 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)CCn3cc(Br)cn3)n[nH]2)cc1 ZINC000579167017 566584706 /nfs/dbraw/zinc/58/47/06/566584706.db2.gz INOHALBXKQAZRO-UHFFFAOYSA-N 0 1 388.269 3.116 20 0 GGADMN Cn1cc(I)c(CN[C@H]2CCC[C@H](c3cccnc3)C2)n1 ZINC000449606798 566585037 /nfs/dbraw/zinc/58/50/37/566585037.db2.gz SDXUFMQTMPZYCA-JSGCOSHPSA-N 0 1 396.276 3.236 20 0 GGADMN COC1CCN(CCNC(=O)c2cc(Br)cc(OC(C)C)c2)CC1 ZINC000674310694 566585224 /nfs/dbraw/zinc/58/52/24/566585224.db2.gz MQMPXKRWGAFYIE-UHFFFAOYSA-N 0 1 399.329 3.077 20 0 GGADMN COC1CCN(CCNC(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000674310438 566585403 /nfs/dbraw/zinc/58/54/03/566585403.db2.gz GDOGUVXYOJQJBO-UHFFFAOYSA-N 0 1 377.337 3.313 20 0 GGADMN COc1ccc([C@H](C)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000539507714 566585468 /nfs/dbraw/zinc/58/54/68/566585468.db2.gz YAMHPGCGWDDGMT-SGMGOOAPSA-N 0 1 390.343 3.464 20 0 GGADMN O[C@@]1(CCNCc2csc(COc3ccc(Cl)cc3)n2)CCCOC1 ZINC000652040430 566586210 /nfs/dbraw/zinc/58/62/10/566586210.db2.gz DNOFWMIPTZVBMO-GOSISDBHSA-N 0 1 382.913 3.397 20 0 GGADMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(Br)cn2)[C@@H]1n1cccn1 ZINC000449660696 566586626 /nfs/dbraw/zinc/58/66/26/566586626.db2.gz YHOMTGIQYBLGBI-XHSDSOJGSA-N 0 1 379.302 3.328 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N2CCC(F)(F)C2)nc1 ZINC000539547197 566586624 /nfs/dbraw/zinc/58/66/24/566586624.db2.gz GHHJGXGMEMGRSD-UHFFFAOYSA-N 0 1 375.347 3.006 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000513178511 566586554 /nfs/dbraw/zinc/58/65/54/566586554.db2.gz OJSSKHJZZSEISL-OAHLLOKOSA-N 0 1 396.329 3.077 20 0 GGADMN COC(=O)c1cc(CN[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)n(C)c1C ZINC000449670674 566586731 /nfs/dbraw/zinc/58/67/31/566586731.db2.gz QKCUTUPFZVRQGX-SFHVURJKSA-N 0 1 385.291 3.424 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(Br)c5c(c4)OCCCO5)[C@H]1[C@H]3C2 ZINC000579175407 566586884 /nfs/dbraw/zinc/58/68/84/566586884.db2.gz RQFVOXBGVJSOAC-TZUPDSNESA-N 0 1 394.309 3.466 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000513178508 566586917 /nfs/dbraw/zinc/58/69/17/566586917.db2.gz OJSSKHJZZSEISL-HNNXBMFYSA-N 0 1 396.329 3.077 20 0 GGADMN CC(C)(C)O[C@@H]1C[C@@H](NCc2cncc(Br)c2)[C@H]1n1cccn1 ZINC000449652156 566587038 /nfs/dbraw/zinc/58/70/38/566587038.db2.gz ASNUSXDAPNZVJH-BZUAXINKSA-N 0 1 379.302 3.328 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000674336442 566587157 /nfs/dbraw/zinc/58/71/57/566587157.db2.gz OEBYCFADIIHMQW-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)c2c1C ZINC000513172647 566587314 /nfs/dbraw/zinc/58/73/14/566587314.db2.gz SNPRCDWMDQUBAH-TXEJJXNPSA-N 0 1 378.567 3.341 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000513174436 566587571 /nfs/dbraw/zinc/58/75/71/566587571.db2.gz TXYXMDPEVGWFID-SHACYNPGSA-N 0 1 391.364 3.482 20 0 GGADMN CC(C)(C)O[C@@H]1C[C@H](NCc2cncc(Br)c2)[C@H]1n1cccn1 ZINC000449652155 566587767 /nfs/dbraw/zinc/58/77/67/566587767.db2.gz ASNUSXDAPNZVJH-ARFHVFGLSA-N 0 1 379.302 3.328 20 0 GGADMN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000579186725 566587835 /nfs/dbraw/zinc/58/78/35/566587835.db2.gz QWBRMNXVFYTWJO-UHFFFAOYSA-N 0 1 384.929 3.335 20 0 GGADMN CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCCO1 ZINC000604980143 566588079 /nfs/dbraw/zinc/58/80/79/566588079.db2.gz ZSXPOYYGWIGNHI-UHFFFAOYSA-N 0 1 378.270 3.480 20 0 GGADMN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000604977100 566588139 /nfs/dbraw/zinc/58/81/39/566588139.db2.gz YLMYINXGCGOSLK-SJLPKXTDSA-N 0 1 397.357 3.245 20 0 GGADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000674346262 566588169 /nfs/dbraw/zinc/58/81/69/566588169.db2.gz LEUGFEPJRHCAGQ-LLVKDONJSA-N 0 1 381.325 3.155 20 0 GGADMN CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000579197517 566588317 /nfs/dbraw/zinc/58/83/17/566588317.db2.gz ODJDBVWUMNUEFF-NSHDSACASA-N 0 1 396.260 3.358 20 0 GGADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000674347163 566588702 /nfs/dbraw/zinc/58/87/02/566588702.db2.gz WIEKEOUDFVZNQE-LLVKDONJSA-N 0 1 381.325 3.155 20 0 GGADMN CCc1nc(CNC[C@H](CO)Cc2cc(Br)ccc2OC)cs1 ZINC000449677458 566588894 /nfs/dbraw/zinc/58/88/94/566588894.db2.gz BLRMGRFYUJHIDW-GFCCVEGCSA-N 0 1 399.354 3.417 20 0 GGADMN Cc1c(Br)cccc1C[C@H](CO)CNCc1cn(C(C)(C)C)nn1 ZINC000449678229 566589233 /nfs/dbraw/zinc/58/92/33/566589233.db2.gz AAODBZXLXQVKIK-AWEZNQCLSA-N 0 1 395.345 3.045 20 0 GGADMN CCCN(C)CC(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C ZINC000486446434 566590075 /nfs/dbraw/zinc/59/00/75/566590075.db2.gz NKNJEQSQHANDNP-UHFFFAOYSA-N 0 1 379.302 3.438 20 0 GGADMN O=C(c1ccc(Br)cc1C(F)(F)F)N1CC[C@H](c2nc[nH]n2)C1 ZINC000579229288 566591049 /nfs/dbraw/zinc/59/10/49/566591049.db2.gz NXTIQPKAENIHTM-QMMMGPOBSA-N 0 1 389.175 3.216 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C[C@H](C)N1C ZINC000513239350 566591256 /nfs/dbraw/zinc/59/12/56/566591256.db2.gz XIMPIKDZSGGCOT-OESLAJAZSA-N 0 1 377.326 3.204 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000579230272 566591444 /nfs/dbraw/zinc/59/14/44/566591444.db2.gz GKMINONVVAAONQ-NXEZZACHSA-N 0 1 378.778 3.482 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc2c(cc1Br)OCCO2 ZINC000513219148 566591317 /nfs/dbraw/zinc/59/13/17/566591317.db2.gz PZEQRZGRLRFSKE-AWEZNQCLSA-N 0 1 397.313 3.101 20 0 GGADMN CC[C@@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)c1c(C)noc1C ZINC000579228047 566591522 /nfs/dbraw/zinc/59/15/22/566591522.db2.gz UNKWKYOMAKJKMT-PBHICJAKSA-N 0 1 380.286 3.495 20 0 GGADMN CCN1CCCN(C(=O)c2cc(Cl)c(Br)cc2OC)CC1 ZINC000579234400 566591834 /nfs/dbraw/zinc/59/18/34/566591834.db2.gz BRXKXLPQFOHAMB-UHFFFAOYSA-N 0 1 375.694 3.279 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H](CO)c1cccc(Cl)c1F)c1cccs1 ZINC000539604533 566592110 /nfs/dbraw/zinc/59/21/10/566592110.db2.gz UKLGTUKPOHMZID-KGLIPLIRSA-N 0 1 385.892 3.176 20 0 GGADMN O=C(CNCc1cccc(I)c1)Nc1cccc(F)c1 ZINC000560050515 566592167 /nfs/dbraw/zinc/59/21/67/566592167.db2.gz PIGYSPGZYYJDPC-UHFFFAOYSA-N 0 1 384.192 3.159 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1Br ZINC000579250897 566592776 /nfs/dbraw/zinc/59/27/76/566592776.db2.gz TZYVHDQJXWLRIW-INIZCTEOSA-N 0 1 376.250 3.339 20 0 GGADMN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1c[nH]nn1 ZINC000466727975 566594489 /nfs/dbraw/zinc/59/44/89/566594489.db2.gz LDKFLDMDTNTKCA-UHFFFAOYSA-N 0 1 378.435 3.034 20 0 GGADMN CC[C@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CCN1CCOC ZINC000605051653 566595362 /nfs/dbraw/zinc/59/53/62/566595362.db2.gz PQEKRNIDWQPLGN-AWEZNQCLSA-N 0 1 388.339 3.288 20 0 GGADMN Cn1nc(C2CCOCC2)cc1NC(=O)c1ccc(Br)c(O)c1 ZINC000628931476 566597353 /nfs/dbraw/zinc/59/73/53/566597353.db2.gz UNOCGTNKRQQDQQ-UHFFFAOYSA-N 0 1 380.242 3.035 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(Cl)cc2NC(C)=O)c1 ZINC000486545067 566597407 /nfs/dbraw/zinc/59/74/07/566597407.db2.gz LNFFXODXSPOPLN-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN COC(=O)c1cc(NC(=O)c2ccc3cncn3c2)cc(Br)c1F ZINC000560099548 566597758 /nfs/dbraw/zinc/59/77/58/566597758.db2.gz BIKJLBIYTDFMEU-UHFFFAOYSA-N 0 1 392.184 3.275 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(Br)c1F)c1cn2c(n1)CCCC2 ZINC000486555001 566598008 /nfs/dbraw/zinc/59/80/08/566598008.db2.gz HDRMUWYQHAXJJF-UHFFFAOYSA-N 0 1 392.225 3.061 20 0 GGADMN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccc2cncn2c1 ZINC000560099410 566598270 /nfs/dbraw/zinc/59/82/70/566598270.db2.gz BQVMPQCVLAWHAF-HNNXBMFYSA-N 0 1 385.265 3.106 20 0 GGADMN CCSc1nccnc1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425041372 566599321 /nfs/dbraw/zinc/59/93/21/566599321.db2.gz OSOWZZFBVPVRIC-UHFFFAOYSA-N 0 1 377.539 3.454 20 0 GGADMN O=C(CCCCOc1ccc(Br)cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425056918 566599548 /nfs/dbraw/zinc/59/95/48/566599548.db2.gz AGPNRDZOCKVJKO-ZDUSSCGKSA-N 0 1 393.285 3.132 20 0 GGADMN CC1(CS(=O)(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)COC1 ZINC000579331598 566599594 /nfs/dbraw/zinc/59/95/94/566599594.db2.gz KIKDNKJXPQJUFH-OAHLLOKOSA-N 0 1 383.901 3.110 20 0 GGADMN C[C@H](COCC1CC1)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652287051 566599593 /nfs/dbraw/zinc/59/95/93/566599593.db2.gz MKSOWGGFYJAKKH-NXEZZACHSA-N 0 1 381.325 3.107 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cccc(I)c3)CC2)n[nH]1 ZINC000539750193 566599832 /nfs/dbraw/zinc/59/98/32/566599832.db2.gz DBLUVGDIPMGUTL-UHFFFAOYSA-N 0 1 395.244 3.343 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539763536 566600247 /nfs/dbraw/zinc/60/02/47/566600247.db2.gz SSJSTUSEBFFFPP-CQSZACIVSA-N 0 1 380.539 3.482 20 0 GGADMN C[C@@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000605217132 566600282 /nfs/dbraw/zinc/60/02/82/566600282.db2.gz BXXBQWOMEGIXPZ-CYBMUJFWSA-N 0 1 387.355 3.380 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](N[C@@H](CO)CCF)c2ccc(Cl)cc2)c1 ZINC000652302642 566600673 /nfs/dbraw/zinc/60/06/73/566600673.db2.gz CVOOIBOQPZIRSW-AEFFLSMTSA-N 0 1 385.888 3.143 20 0 GGADMN C[C@@H](N[C@@H](C)COCC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652287053 566600719 /nfs/dbraw/zinc/60/07/19/566600719.db2.gz MKSOWGGFYJAKKH-VHSXEESVSA-N 0 1 381.325 3.107 20 0 GGADMN CC[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C(C)C)C(=O)NC ZINC000449779269 566600983 /nfs/dbraw/zinc/60/09/83/566600983.db2.gz SYVQTIGSITYXGW-MRXNPFEDSA-N 0 1 393.329 3.372 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000579355922 566602673 /nfs/dbraw/zinc/60/26/73/566602673.db2.gz CAUGRNSOIIOPEA-CYBMUJFWSA-N 0 1 392.253 3.326 20 0 GGADMN Cc1cc(CNCc2cnn(CC(F)F)c2)ccc1I ZINC000513450830 566602897 /nfs/dbraw/zinc/60/28/97/566602897.db2.gz MNFFPKLRHWEGHY-UHFFFAOYSA-N 0 1 391.203 3.351 20 0 GGADMN CC(C)(C)N1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1 ZINC000425091182 566603714 /nfs/dbraw/zinc/60/37/14/566603714.db2.gz YEKAWNMDHAQEMC-UHFFFAOYSA-N 0 1 375.523 3.190 20 0 GGADMN C[C@H]1SCCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)[C@H]1C ZINC000539825993 566604034 /nfs/dbraw/zinc/60/40/34/566604034.db2.gz YBQSEJXPMBDFEI-JKSUJKDBSA-N 0 1 384.973 3.377 20 0 GGADMN Cc1[nH]nc2ncc(CN(C)[C@@H](CO)c3cccc(Br)c3)cc12 ZINC000539823618 566605196 /nfs/dbraw/zinc/60/51/96/566605196.db2.gz NIYVENFNZVQIGW-INIZCTEOSA-N 0 1 375.270 3.194 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN2CCC[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000513479815 566605522 /nfs/dbraw/zinc/60/55/22/566605522.db2.gz ROUXRQHRASQSDW-QXGSTGNESA-N 0 1 397.357 3.056 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)Cc2cc(Cl)ccc2OC)n[nH]1 ZINC000486637265 566606041 /nfs/dbraw/zinc/60/60/41/566606041.db2.gz OSPHEHJMOLUVMZ-WDEREUQCSA-N 0 1 386.905 3.161 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000486639821 566606107 /nfs/dbraw/zinc/60/61/07/566606107.db2.gz QSSRQMMBNRLQNJ-VXGBXAGGSA-N 0 1 375.296 3.231 20 0 GGADMN COc1ccc(CN[C@H](CO)Cc2ccccc2C)c(Br)c1O ZINC000466898375 566606230 /nfs/dbraw/zinc/60/62/30/566606230.db2.gz VUIUEEXJRRTHPD-HNNXBMFYSA-N 0 1 380.282 3.165 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2ccccc2C)c(OC)c1 ZINC000466898917 566606270 /nfs/dbraw/zinc/60/62/70/566606270.db2.gz DEACMVOQUWJKRM-HNNXBMFYSA-N 0 1 394.309 3.468 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2cccc(C)c2)c(OC)c1 ZINC000466889970 566606450 /nfs/dbraw/zinc/60/64/50/566606450.db2.gz FTSYCGWAKVCBJU-OAHLLOKOSA-N 0 1 394.309 3.468 20 0 GGADMN COCC[C@H](NCC(=O)N[C@H](C(C)=O)C(C)C)c1ccc(Cl)c(Cl)c1 ZINC000560182996 566606725 /nfs/dbraw/zinc/60/67/25/566606725.db2.gz HKJRPNRVGSBRLU-WMZOPIPTSA-N 0 1 389.323 3.390 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1F ZINC000486638256 566606910 /nfs/dbraw/zinc/60/69/10/566606910.db2.gz JURWWSWHJBWRIX-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN O=C(c1cccc(Br)c1O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000539842157 566606894 /nfs/dbraw/zinc/60/68/94/566606894.db2.gz YYWWTEXUPQFPEG-CQSZACIVSA-N 0 1 391.265 3.371 20 0 GGADMN O=C(NC[C@@H]1CCCN1CCCO)c1cnc(-c2cccc(Cl)c2)s1 ZINC000652379644 566607322 /nfs/dbraw/zinc/60/73/22/566607322.db2.gz ANBFZTFLMSCCBE-HNNXBMFYSA-N 0 1 379.913 3.040 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000449832719 566607505 /nfs/dbraw/zinc/60/75/05/566607505.db2.gz CINZPIYQKBQKOB-UHFFFAOYSA-N 0 1 379.233 3.464 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](CO)Cc1ccc(C)cc1 ZINC000466905129 566607695 /nfs/dbraw/zinc/60/76/95/566607695.db2.gz QSOXEQQYBVTNCR-QGZVFWFLSA-N 0 1 381.925 3.135 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccccc2C)c(OC)c1 ZINC000466898918 566607856 /nfs/dbraw/zinc/60/78/56/566607856.db2.gz DEACMVOQUWJKRM-OAHLLOKOSA-N 0 1 394.309 3.468 20 0 GGADMN CCn1nnc(C)c1CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000560226292 566608016 /nfs/dbraw/zinc/60/80/16/566608016.db2.gz GPDQIRONSPIMTD-UHFFFAOYSA-N 0 1 379.287 3.446 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2)n[nH]1 ZINC000486650811 566608393 /nfs/dbraw/zinc/60/83/93/566608393.db2.gz LYINKEZDMKFQCQ-NXEZZACHSA-N 0 1 387.303 3.120 20 0 GGADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cnc(-c2cccc(Cl)c2)s1 ZINC000652390440 566609050 /nfs/dbraw/zinc/60/90/50/566609050.db2.gz PULCLIHZFHGVDS-OAHLLOKOSA-N 0 1 379.913 3.040 20 0 GGADMN Brc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCCCO2 ZINC000539849035 566609228 /nfs/dbraw/zinc/60/92/28/566609228.db2.gz IHGWQNCJRJPFBU-HUUCEWRRSA-N 0 1 382.298 3.469 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000579449119 566609915 /nfs/dbraw/zinc/60/99/15/566609915.db2.gz SGNWTJBRHXFVLV-BEFAXECRSA-N 0 1 380.941 3.395 20 0 GGADMN O=C(CCn1cc(Br)cn1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000605521785 566610073 /nfs/dbraw/zinc/61/00/73/566610073.db2.gz OWCJFLJAORASGI-UHFFFAOYSA-N 0 1 395.648 3.113 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCSCC(F)(F)F)N2CCCC2)o1 ZINC000539876286 566610328 /nfs/dbraw/zinc/61/03/28/566610328.db2.gz FWKREXMGYABKHF-CYBMUJFWSA-N 0 1 379.448 3.320 20 0 GGADMN CC(C)(C)c1ncc(CNCCNC(=O)c2cccc(Br)c2)cn1 ZINC000560242394 566610457 /nfs/dbraw/zinc/61/04/57/566610457.db2.gz ISWAMSRQYJYZLW-UHFFFAOYSA-N 0 1 391.313 3.056 20 0 GGADMN O=C(CCCc1cc(Cl)sc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000674798333 566610587 /nfs/dbraw/zinc/61/05/87/566610587.db2.gz XQFRARWGKQWQKY-KGLIPLIRSA-N 0 1 391.364 3.435 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(Br)c1 ZINC000560259689 566611869 /nfs/dbraw/zinc/61/18/69/566611869.db2.gz BLFZTADGBSHPKT-CQSZACIVSA-N 0 1 378.270 3.338 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccsc1Br ZINC000449870638 566612309 /nfs/dbraw/zinc/61/23/09/566612309.db2.gz NBUSIUKIKXTODX-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000652479501 566613024 /nfs/dbraw/zinc/61/30/24/566613024.db2.gz XBOMSTQIAYRVCX-JTQLQIEISA-N 0 1 398.282 3.247 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000652478529 566613102 /nfs/dbraw/zinc/61/31/02/566613102.db2.gz IPIQOCSPZMNBHL-GFCCVEGCSA-N 0 1 394.693 3.027 20 0 GGADMN C[C@H]1CN(CCCNC(=O)C(C)(C)c2ccccc2Br)C[C@H](C)O1 ZINC000466980473 566613537 /nfs/dbraw/zinc/61/35/37/566613537.db2.gz GNGSWTNGRGZMBA-GJZGRUSLSA-N 0 1 397.357 3.342 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2Br)CCN1C ZINC000425192951 566613638 /nfs/dbraw/zinc/61/36/38/566613638.db2.gz FNSGLOITGPZGMT-JSGCOSHPSA-N 0 1 397.338 3.363 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496445 566613672 /nfs/dbraw/zinc/61/36/72/566613672.db2.gz VWWYLGAGHUGOHJ-OCCSQVGLSA-N 0 1 376.280 3.310 20 0 GGADMN C[C@@H]1C[N@H+](Cc2nc(-c3cc(Br)cs3)no2)CC[C@@H]1C(=O)[O-] ZINC000652496798 566614404 /nfs/dbraw/zinc/61/44/04/566614404.db2.gz DTWWETMQSQIRSO-SCZZXKLOSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)CC[C@@H]1C(=O)[O-] ZINC000652496798 566614410 /nfs/dbraw/zinc/61/44/10/566614410.db2.gz DTWWETMQSQIRSO-SCZZXKLOSA-N 0 1 386.271 3.103 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000652495703 566614586 /nfs/dbraw/zinc/61/45/86/566614586.db2.gz BHCWJIXQOYQJFE-TZMCWYRMSA-N 0 1 376.280 3.310 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCCO3)CC[C@@H]1C(=O)[O-] ZINC000652497439 566614608 /nfs/dbraw/zinc/61/46/08/566614608.db2.gz VVFCZMBACZEBNP-AAEUAGOBSA-N 0 1 384.270 3.153 20 0 GGADMN CC(C)N1CCN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000467008091 566615074 /nfs/dbraw/zinc/61/50/74/566615074.db2.gz AEXWVYGQSGRZPF-IEBWSBKVSA-N 0 1 377.326 3.206 20 0 GGADMN CC(C)N1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000467008090 566615120 /nfs/dbraw/zinc/61/51/20/566615120.db2.gz AEXWVYGQSGRZPF-HKUYNNGSSA-N 0 1 377.326 3.206 20 0 GGADMN COC(=O)C1CCN(c2ccnc3cc(OC)c(Br)cc32)CC1 ZINC000425198272 566615439 /nfs/dbraw/zinc/61/54/39/566615439.db2.gz FCEGZLBKWXLASF-UHFFFAOYSA-N 0 1 379.254 3.395 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C1CC1 ZINC000652515071 566615764 /nfs/dbraw/zinc/61/57/64/566615764.db2.gz NNOQTJBKEPVANV-UONOGXRCSA-N 0 1 392.253 3.042 20 0 GGADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000425206985 566615834 /nfs/dbraw/zinc/61/58/34/566615834.db2.gz DVEGRNFWBDKZTJ-GXFFZTMASA-N 0 1 382.835 3.074 20 0 GGADMN O[C@H](CNCc1csc(-c2cccc(Br)c2)n1)[C@H]1CCOC1 ZINC000605595259 566615882 /nfs/dbraw/zinc/61/58/82/566615882.db2.gz HJTMYKFDLMNXEU-SWLSCSKDSA-N 0 1 383.311 3.060 20 0 GGADMN Cc1ncccc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000652506480 566616103 /nfs/dbraw/zinc/61/61/03/566616103.db2.gz YYPOJIOVHJAXPU-DLBZAZTESA-N 0 1 375.266 3.453 20 0 GGADMN CCCCn1c(=O)[nH]nc1S[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629101118 566616210 /nfs/dbraw/zinc/61/62/10/566616210.db2.gz SSEDPUYOVTUUMF-ZDUSSCGKSA-N 0 1 384.864 3.474 20 0 GGADMN CO[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1ccccc1 ZINC000579524412 566616219 /nfs/dbraw/zinc/61/62/19/566616219.db2.gz XGVBYCSIKQPRNG-AWEZNQCLSA-N 0 1 375.368 3.077 20 0 GGADMN COc1cc2nccc(N3CCC(CNC(C)=O)CC3)c2cc1Br ZINC000425214872 566617642 /nfs/dbraw/zinc/61/76/42/566617642.db2.gz KXDISOBXXKVEOK-UHFFFAOYSA-N 0 1 392.297 3.358 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000467031123 566617643 /nfs/dbraw/zinc/61/76/43/566617643.db2.gz DSHFVQPTEWXJOJ-XNJGSVPQSA-N 0 1 393.325 3.257 20 0 GGADMN CC[C@@H]1CO[C@H](C)CN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000513708226 566619407 /nfs/dbraw/zinc/61/94/07/566619407.db2.gz OMFLFWPSRVFFFV-BNOWGMLFSA-N 0 1 392.721 3.342 20 0 GGADMN COc1cc2nccc(NCCCOC[C@H]3CCOC3)c2cc1Br ZINC000425232008 566619878 /nfs/dbraw/zinc/61/98/78/566619878.db2.gz NZOJMIKVIIKDAE-CYBMUJFWSA-N 0 1 395.297 3.283 20 0 GGADMN COCCN1CC[C@H](NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000605883177 566620102 /nfs/dbraw/zinc/62/01/02/566620102.db2.gz UCHRGKBMLQALOI-DLBZAZTESA-N 0 1 396.329 3.016 20 0 GGADMN O[C@H]([C@@H]1CCCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000605898535 566620505 /nfs/dbraw/zinc/62/05/05/566620505.db2.gz BCPSJWVEXDHHIB-QCZZGDTMSA-N 0 1 388.213 3.121 20 0 GGADMN COc1cc2nccc(NCCCO[C@@H]3CCOC3)c2cc1Br ZINC000425232674 566620539 /nfs/dbraw/zinc/62/05/39/566620539.db2.gz FOAHIXWAEFRINX-GFCCVEGCSA-N 0 1 381.270 3.035 20 0 GGADMN CC(C)CN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000513732742 566620918 /nfs/dbraw/zinc/62/09/18/566620918.db2.gz JWLQZGPMRLGHBG-UHFFFAOYSA-N 0 1 378.314 3.273 20 0 GGADMN O=C(COc1ccc(F)cc1Br)Nc1ccccc1-c1nnc[nH]1 ZINC000539997106 566621087 /nfs/dbraw/zinc/62/10/87/566621087.db2.gz YBEIUZAZEHVYPW-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN COc1cc2nccc(N[C@H](CO)CC(F)(F)F)c2cc1Br ZINC000425243423 566621336 /nfs/dbraw/zinc/62/13/36/566621336.db2.gz FLSQEYMANWPFHS-QMMMGPOBSA-N 0 1 379.176 3.153 20 0 GGADMN COc1cc2nccc(N[C@@H](CO)CC(F)(F)F)c2cc1Br ZINC000425243421 566621442 /nfs/dbraw/zinc/62/14/42/566621442.db2.gz FLSQEYMANWPFHS-MRVPVSSYSA-N 0 1 379.176 3.153 20 0 GGADMN COc1cc2nccc(NCCNC(=O)C(C)(C)C)c2cc1Br ZINC000425239472 566621469 /nfs/dbraw/zinc/62/14/69/566621469.db2.gz WZMKWTMFXSSUHH-UHFFFAOYSA-N 0 1 380.286 3.002 20 0 GGADMN COc1nc(NC2CCN([C@H](C)c3ccncc3)CC2)ncc1Br ZINC000425243945 566621671 /nfs/dbraw/zinc/62/16/71/566621671.db2.gz UQAALTRFUAZLNU-GFCCVEGCSA-N 0 1 392.301 3.280 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCN1C ZINC000540018088 566622305 /nfs/dbraw/zinc/62/23/05/566622305.db2.gz GDAAREXOCKYIMN-GHMZBOCLSA-N 0 1 378.826 3.107 20 0 GGADMN O=C(Cc1c[nH]c2cccc(Br)c12)Nc1ccn(-c2ccncc2)n1 ZINC000513779287 566622351 /nfs/dbraw/zinc/62/23/51/566622351.db2.gz BNSKBDIDCCADIX-UHFFFAOYSA-N 0 1 396.248 3.114 20 0 GGADMN Cc1cc(I)cc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1C ZINC000540011763 566622354 /nfs/dbraw/zinc/62/23/54/566622354.db2.gz BSFUVGCVAHKKOW-STQMWFEESA-N 0 1 386.277 3.073 20 0 GGADMN CN1CCN(c2cc(C(=O)NCc3cc(Cl)sc3Cl)ccn2)CC1 ZINC000540018859 566622405 /nfs/dbraw/zinc/62/24/05/566622405.db2.gz LQSKDCYSIGKUPD-UHFFFAOYSA-N 0 1 385.320 3.132 20 0 GGADMN COc1cc2nccc(NCc3nnc(C(C)C)n3C)c2cc1Br ZINC000425251589 566623334 /nfs/dbraw/zinc/62/33/34/566623334.db2.gz YBKASVCSEVNFLU-UHFFFAOYSA-N 0 1 390.285 3.292 20 0 GGADMN COc1cc2nccc(N3CCC[C@@H]3c3nncn3C)c2cc1Br ZINC000425244481 566623353 /nfs/dbraw/zinc/62/33/53/566623353.db2.gz HJRHNOCYICWFQM-OAHLLOKOSA-N 0 1 388.269 3.476 20 0 GGADMN COCCSCCCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000486794537 566623574 /nfs/dbraw/zinc/62/35/74/566623574.db2.gz NEXSIEGXTVXIFN-UHFFFAOYSA-N 0 1 393.416 3.398 20 0 GGADMN O=S(=O)(Nc1ccc(Br)cc1O)c1ccc2c(c1)CCCO2 ZINC000540037906 566623660 /nfs/dbraw/zinc/62/36/60/566623660.db2.gz JPCFKLZEJZLEFN-UHFFFAOYSA-N 0 1 384.251 3.281 20 0 GGADMN Cc1c(NS(=O)(=O)Cc2ccccc2Br)[nH]nc1C(F)(F)F ZINC000675129813 566623692 /nfs/dbraw/zinc/62/36/92/566623692.db2.gz SVPLMWSJILBMLH-UHFFFAOYSA-N 0 1 398.204 3.441 20 0 GGADMN Cc1c(NS(=O)(=O)Cc2ccccc2Br)n[nH]c1C(F)(F)F ZINC000675129813 566623698 /nfs/dbraw/zinc/62/36/98/566623698.db2.gz SVPLMWSJILBMLH-UHFFFAOYSA-N 0 1 398.204 3.441 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(C)c(Cl)c2)cn1C ZINC000467071917 566623930 /nfs/dbraw/zinc/62/39/30/566623930.db2.gz LLHVBVDKIAXDDC-UHFFFAOYSA-N 0 1 377.249 3.228 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H](C)CCc2ccco2)sc1Br ZINC000540040083 566624241 /nfs/dbraw/zinc/62/42/41/566624241.db2.gz HXCISYSPNMNAQW-MRVPVSSYSA-N 0 1 379.301 3.107 20 0 GGADMN CSC[C@H]1CCCN1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000486800028 566624286 /nfs/dbraw/zinc/62/42/86/566624286.db2.gz RBGASDCQHNZFII-CQSZACIVSA-N 0 1 376.444 3.028 20 0 GGADMN CSC[C@@H]1CCCN1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000486810095 566624378 /nfs/dbraw/zinc/62/43/78/566624378.db2.gz QJTDSXJUXMZVQZ-AWEZNQCLSA-N 0 1 376.444 3.028 20 0 GGADMN COC[C@H]1CN(c2ccnc3cc(OC)c(Br)cc32)C[C@@H](C)O1 ZINC000425259684 566624382 /nfs/dbraw/zinc/62/43/82/566624382.db2.gz VMDXUHGEUNNHSY-VXGBXAGGSA-N 0 1 381.270 3.246 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)N[C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000513794403 566624566 /nfs/dbraw/zinc/62/45/66/566624566.db2.gz PGYAEGQJFWAJLP-SECBINFHSA-N 0 1 377.340 3.125 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)sc1Br ZINC000540041883 566624817 /nfs/dbraw/zinc/62/48/17/566624817.db2.gz VQBFHKGIUVUHFI-JHJVBQTASA-N 0 1 399.335 3.078 20 0 GGADMN COc1cc2nccc(N3CC[C@H](C)[S@@](=O)CC3)c2cc1Br ZINC000425260280 566624983 /nfs/dbraw/zinc/62/49/83/566624983.db2.gz NTHVYBJRNXOCBE-SAHAZLINSA-N 0 1 383.311 3.353 20 0 GGADMN COc1cc2nccc(N3CC[S@@](=O)C[C@H](C)C3)c2cc1Br ZINC000425259498 566625032 /nfs/dbraw/zinc/62/50/32/566625032.db2.gz MEHXOCLNYRHTQN-RKFFSXRUSA-N 0 1 383.311 3.211 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)NCc3n[nH]c(C4CC4)n3)c2o1 ZINC000560424430 566625056 /nfs/dbraw/zinc/62/50/56/566625056.db2.gz WWBSNHJTFMYDLI-UHFFFAOYSA-N 0 1 391.229 3.216 20 0 GGADMN CN(CC(=O)NCCc1ccc(Br)cc1Cl)[C@H]1CCSC1 ZINC000579634942 566625313 /nfs/dbraw/zinc/62/53/13/566625313.db2.gz YABNZWDKSFKUQC-ZDUSSCGKSA-N 0 1 391.762 3.199 20 0 GGADMN COc1cc2nccc(N[C@H](C)Cc3cnn(C)c3)c2cc1Br ZINC000425272807 566625297 /nfs/dbraw/zinc/62/52/97/566625297.db2.gz XLWLMQMROPNGGC-LLVKDONJSA-N 0 1 375.270 3.204 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccsc2)cccc1C(=O)N1CCSCC1 ZINC000560440024 566625438 /nfs/dbraw/zinc/62/54/38/566625438.db2.gz JCBNNNXDAXIYFF-UHFFFAOYSA-N 0 1 382.532 3.046 20 0 GGADMN COc1cc2nccc(N3C[C@H](C)O[C@@]4(CCOC4)C3)c2cc1Br ZINC000425262118 566626234 /nfs/dbraw/zinc/62/62/34/566626234.db2.gz QYUADSAPDNZKBO-SGTLLEGYSA-N 0 1 393.281 3.390 20 0 GGADMN CC(=O)N[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)C(C)(C)C ZINC000450046662 566626855 /nfs/dbraw/zinc/62/68/55/566626855.db2.gz SFDCNOVVHYOXFJ-GFCCVEGCSA-N 0 1 377.666 3.297 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)Cc2ccccc2Cl)CN1Cc1ccccc1 ZINC000467124319 566627251 /nfs/dbraw/zinc/62/72/51/566627251.db2.gz GOGKTMBVEHSNOH-YJBOKZPZSA-N 0 1 378.925 3.422 20 0 GGADMN Cc1ccc(OCCC(=O)N2CCN(C)C[C@H]2C(C)C)c(Br)c1 ZINC000606339482 566627945 /nfs/dbraw/zinc/62/79/45/566627945.db2.gz NFDNWVWRZUXULM-INIZCTEOSA-N 0 1 383.330 3.325 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)COc1ccc(Br)cc1Cl ZINC000606338953 566628010 /nfs/dbraw/zinc/62/80/10/566628010.db2.gz VEKCBXZFCKBKOW-CQSZACIVSA-N 0 1 389.721 3.280 20 0 GGADMN COc1cc2nccc(N3CCC[C@@H](n4ccnn4)C3)c2cc1Br ZINC000425278209 566628131 /nfs/dbraw/zinc/62/81/31/566628131.db2.gz RYQJECTVAYPMRE-GFCCVEGCSA-N 0 1 388.269 3.439 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000467128443 566628408 /nfs/dbraw/zinc/62/84/08/566628408.db2.gz SVCSBGZLSCVFFL-RDJZCZTQSA-N 0 1 376.547 3.350 20 0 GGADMN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425303492 566628979 /nfs/dbraw/zinc/62/89/79/566628979.db2.gz OTDQLIRSBZSVFM-SECBINFHSA-N 0 1 375.734 3.467 20 0 GGADMN O=C(CCCc1ccccc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425300007 566629353 /nfs/dbraw/zinc/62/93/53/566629353.db2.gz KUTCMIQYWYYIEQ-ZDUSSCGKSA-N 0 1 394.269 3.267 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1cccc(Br)c1 ZINC000425299394 566629425 /nfs/dbraw/zinc/62/94/25/566629425.db2.gz KIKJIHWJSQECFV-JQWIXIFHSA-N 0 1 380.242 3.047 20 0 GGADMN O=C(c1ccc(Br)c(Cl)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425307522 566629601 /nfs/dbraw/zinc/62/96/01/566629601.db2.gz UGAIOTNMKYLJBH-SECBINFHSA-N 0 1 386.633 3.211 20 0 GGADMN CCc1sc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1Br ZINC000425306935 566629785 /nfs/dbraw/zinc/62/97/85/566629785.db2.gz SYWLARJKCHSZMF-QMMMGPOBSA-N 0 1 386.271 3.181 20 0 GGADMN O=C(c1ccc(Cl)c(Br)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329068 566630975 /nfs/dbraw/zinc/63/09/75/566630975.db2.gz YYFFRHGPAQCIMT-UHFFFAOYSA-N 0 1 386.633 3.211 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000606427607 566631362 /nfs/dbraw/zinc/63/13/62/566631362.db2.gz CIIGGGYFFYAVDB-KRWDZBQOSA-N 0 1 391.313 3.251 20 0 GGADMN C[C@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1cccc(Br)c1 ZINC000425323613 566631481 /nfs/dbraw/zinc/63/14/81/566631481.db2.gz PLPMLSUCGIJVHV-JTQLQIEISA-N 0 1 380.242 3.047 20 0 GGADMN COC(=O)CC1CC(N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000425338050 566632889 /nfs/dbraw/zinc/63/28/89/566632889.db2.gz OKJROGAEVZUNNI-IFQILLTASA-N 0 1 394.269 3.491 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@@H]1CCCCO1 ZINC000467188609 566633142 /nfs/dbraw/zinc/63/31/42/566633142.db2.gz ZQTHGHXFERMXNN-YOEHRIQHSA-N 0 1 383.330 3.297 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@@H]1CCCCO1 ZINC000467188606 566633467 /nfs/dbraw/zinc/63/34/67/566633467.db2.gz ZQTHGHXFERMXNN-PBHICJAKSA-N 0 1 383.330 3.297 20 0 GGADMN COC(=O)CC1CC(N[C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000425338049 566633779 /nfs/dbraw/zinc/63/37/79/566633779.db2.gz OKJROGAEVZUNNI-CDWSIMAYSA-N 0 1 394.269 3.491 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCS(=O)(=O)NC(C)C ZINC000540171673 566634188 /nfs/dbraw/zinc/63/41/88/566634188.db2.gz VNUJMKLRCOFPBK-MRXNPFEDSA-N 0 1 376.950 3.353 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000513937279 566634216 /nfs/dbraw/zinc/63/42/16/566634216.db2.gz DZDCSLOGHXIPIT-INIZCTEOSA-N 0 1 378.314 3.272 20 0 GGADMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896010 566634617 /nfs/dbraw/zinc/63/46/17/566634617.db2.gz QIUZMVJGFKWUTJ-NWDGAFQWSA-N 0 1 392.297 3.258 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896010 566634623 /nfs/dbraw/zinc/63/46/23/566634623.db2.gz QIUZMVJGFKWUTJ-NWDGAFQWSA-N 0 1 392.297 3.258 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896010 566634625 /nfs/dbraw/zinc/63/46/25/566634625.db2.gz QIUZMVJGFKWUTJ-NWDGAFQWSA-N 0 1 392.297 3.258 20 0 GGADMN CC(C)[C@@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)CCO1 ZINC000579747304 566635072 /nfs/dbraw/zinc/63/50/72/566635072.db2.gz IUPMOYOVXWTYLP-GUYCJALGSA-N 0 1 379.302 3.323 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)COc2ccc3cc(Br)ccc3c2)n[nH]1 ZINC000579745869 566635135 /nfs/dbraw/zinc/63/51/35/566635135.db2.gz GVKQDEOXTZMERQ-SNVBAGLBSA-N 0 1 389.253 3.285 20 0 GGADMN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(Br)cc1F ZINC000560540124 566635111 /nfs/dbraw/zinc/63/51/11/566635111.db2.gz PWGSSLHFZCWSSL-NSHDSACASA-N 0 1 378.307 3.454 20 0 GGADMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000629287121 566635240 /nfs/dbraw/zinc/63/52/40/566635240.db2.gz GFJSRNLTJWFJNO-UHFFFAOYSA-N 0 1 377.388 3.335 20 0 GGADMN CCC[C@H](NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1nn[nH]n1 ZINC000450121499 566635495 /nfs/dbraw/zinc/63/54/95/566635495.db2.gz JLFRTWYCGSJBOM-JTQLQIEISA-N 0 1 378.647 3.196 20 0 GGADMN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(Br)cc1F ZINC000560540123 566635676 /nfs/dbraw/zinc/63/56/76/566635676.db2.gz PWGSSLHFZCWSSL-LLVKDONJSA-N 0 1 378.307 3.454 20 0 GGADMN Cc1cc(CNC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)n[nH]1 ZINC000606517457 566635766 /nfs/dbraw/zinc/63/57/66/566635766.db2.gz CBMICMZRMATGMG-UHFFFAOYSA-N 0 1 388.269 3.230 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000675277796 566636361 /nfs/dbraw/zinc/63/63/61/566636361.db2.gz KNVRIJVFUCPDRO-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)ccc1OC(C)C ZINC000629290344 566636908 /nfs/dbraw/zinc/63/69/08/566636908.db2.gz 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CC[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCCO1 ZINC000467817398 566669570 /nfs/dbraw/zinc/66/95/70/566669570.db2.gz MHSDVXVKKFQVJE-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000607423200 566671416 /nfs/dbraw/zinc/67/14/16/566671416.db2.gz DEFZGIHHSQZMEY-QGZVFWFLSA-N 0 1 394.357 3.462 20 0 GGADMN CCc1nc(C[NH+]2CCC(CN=c3[n-]c(C(F)(F)F)ns3)CC2)cs1 ZINC000580176811 566671321 /nfs/dbraw/zinc/67/13/21/566671321.db2.gz ZAIRNIDBPKTONU-UHFFFAOYSA-N 0 1 391.488 3.322 20 0 GGADMN CCc1nc(C[NH+]2CCC(CN=c3nc(C(F)(F)F)[n-]s3)CC2)cs1 ZINC000580176811 566671323 /nfs/dbraw/zinc/67/13/23/566671323.db2.gz ZAIRNIDBPKTONU-UHFFFAOYSA-N 0 1 391.488 3.322 20 0 GGADMN COCCCn1c(=O)[nH]nc1SCCOc1cc(Cl)cc(Cl)c1 ZINC000607436999 566671477 /nfs/dbraw/zinc/67/14/77/566671477.db2.gz CAPTWODOAGCLTL-UHFFFAOYSA-N 0 1 378.281 3.498 20 0 GGADMN FC(F)(F)COCCCNCc1cn(-c2ccccc2Br)nn1 ZINC000514820539 566671987 /nfs/dbraw/zinc/67/19/87/566671987.db2.gz SMXDLUJHPXSBNI-UHFFFAOYSA-N 0 1 393.207 3.088 20 0 GGADMN CCCN(CCCN(C)C)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000487423918 566673260 /nfs/dbraw/zinc/67/32/60/566673260.db2.gz ACLHILPXIKAVRR-UHFFFAOYSA-N 0 1 388.961 3.083 20 0 GGADMN COCc1cnc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)s1 ZINC000561054532 566673583 /nfs/dbraw/zinc/67/35/83/566673583.db2.gz XJLXOHMBTCVWSY-UHFFFAOYSA-N 0 1 375.479 3.114 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCN(c2ccc(Cl)cc2F)C1)c1ccccc1 ZINC000629607160 566674094 /nfs/dbraw/zinc/67/40/94/566674094.db2.gz QHVIFMVKXDVPDA-OAHLLOKOSA-N 0 1 382.888 3.121 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)s1 ZINC000676028335 566674176 /nfs/dbraw/zinc/67/41/76/566674176.db2.gz PGCSOPYQJOJCQI-UHFFFAOYSA-N 0 1 399.295 3.201 20 0 GGADMN CCC(O)(CC)CN(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000629638135 566675660 /nfs/dbraw/zinc/67/56/60/566675660.db2.gz CSNNMOPNAXAKRQ-UHFFFAOYSA-N 0 1 380.286 3.462 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3nc(C)co3)c2)cs1 ZINC000467932183 566675572 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CCN(CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)C1CC1 ZINC000676841686 566709901 /nfs/dbraw/zinc/70/99/01/566709901.db2.gz KOASVPNLQIBBEI-UHFFFAOYSA-N 0 1 376.298 3.299 20 0 GGADMN O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc2ccc(Br)cc2[nH]1 ZINC000608220737 566710429 /nfs/dbraw/zinc/71/04/29/566710429.db2.gz ZUNIROGGKFBXLY-NSHDSACASA-N 0 1 385.221 3.390 20 0 GGADMN NC(=O)[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(Br)cc1F ZINC000580633207 566710399 /nfs/dbraw/zinc/71/03/99/566710399.db2.gz FMBYUXLEVPBDBQ-ABAIWWIYSA-N 0 1 385.277 3.054 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)N(C)Cc2cccc(Br)c2)cn1 ZINC000426431740 566710522 /nfs/dbraw/zinc/71/05/22/566710522.db2.gz FCSLEGOMIXNPFE-UHFFFAOYSA-N 0 1 388.269 3.328 20 0 GGADMN COCCN(Cc1cncs1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000468561391 566710666 /nfs/dbraw/zinc/71/06/66/566710666.db2.gz UFZPNCCGPMSAHB-UHFFFAOYSA-N 0 1 395.282 3.071 20 0 GGADMN CCN(CC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000468569335 566710940 /nfs/dbraw/zinc/71/09/40/566710940.db2.gz IDXVIRIRWRBQSF-MRXNPFEDSA-N 0 1 380.330 3.336 20 0 GGADMN CC(=O)Nc1cccc(CN(CCO)Cc2cccc(Br)c2)c1 ZINC000488181681 566712819 /nfs/dbraw/zinc/71/28/19/566712819.db2.gz VIODAPRACMCADF-UHFFFAOYSA-N 0 1 377.282 3.402 20 0 GGADMN Cc1cccc2sc(C(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)c(Cl)c21 ZINC000630222066 566713188 /nfs/dbraw/zinc/71/31/88/566713188.db2.gz CFNHHLKHHPQFCY-GFCCVEGCSA-N 0 1 380.897 3.484 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000630222178 566713316 /nfs/dbraw/zinc/71/33/16/566713316.db2.gz DYWKTEGUGCWTTN-SNVBAGLBSA-N 0 1 399.925 3.146 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1NC(C)=O ZINC000608342335 566713495 /nfs/dbraw/zinc/71/34/95/566713495.db2.gz FUTXCAQEJOZDTC-UHFFFAOYSA-N 0 1 384.841 3.122 20 0 GGADMN CC[C@H](C)N1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000450853297 566714417 /nfs/dbraw/zinc/71/44/17/566714417.db2.gz BBHCXBHPSBHCHH-LBPRGKRZSA-N 0 1 384.347 3.071 20 0 GGADMN O=C(Cc1csc2ccc(Cl)cc12)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000676878601 566714557 /nfs/dbraw/zinc/71/45/57/566714557.db2.gz CPVMKNFFOBVUGL-SJORKVTESA-N 0 1 378.925 3.155 20 0 GGADMN CCOC(=O)C[C@](C)(NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(C)C ZINC000561527452 566714848 /nfs/dbraw/zinc/71/48/48/566714848.db2.gz XHWUXGVCOLJUSX-HNNXBMFYSA-N 0 1 383.844 3.264 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000580695924 566715098 /nfs/dbraw/zinc/71/50/98/566715098.db2.gz DEMXKLJTPRACOE-GFCCVEGCSA-N 0 1 375.372 3.050 20 0 GGADMN C[C@H]1COC(C)(C)CN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000488224282 566715597 /nfs/dbraw/zinc/71/55/97/566715597.db2.gz CMOFOWUYSKOINN-WCQYABFASA-N 0 1 392.721 3.342 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1CC[C@@](O)(C2CC2)C1 ZINC000426506107 566715762 /nfs/dbraw/zinc/71/57/62/566715762.db2.gz BZYHUULZDLHCOL-SFHVURJKSA-N 0 1 384.314 3.211 20 0 GGADMN O=S(=O)(NCCNCc1nccc2ccccc21)c1ccc(Cl)s1 ZINC000676905245 566715835 /nfs/dbraw/zinc/71/58/35/566715835.db2.gz QUTBGTPQARBDSC-UHFFFAOYSA-N 0 1 381.910 3.018 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561539493 566716418 /nfs/dbraw/zinc/71/64/18/566716418.db2.gz COTZAMCQIGCZRE-VFZGTOFNSA-N 0 1 381.828 3.018 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000541330086 566716833 /nfs/dbraw/zinc/71/68/33/566716833.db2.gz XPSPGQYNANLJCA-NEPJUHHUSA-N 0 1 375.296 3.444 20 0 GGADMN CCn1cc(CN(CCO)CCCC(=O)c2ccc(Br)cc2)cn1 ZINC000450894892 566716869 /nfs/dbraw/zinc/71/68/69/566716869.db2.gz WPIUACYPTYBZBP-UHFFFAOYSA-N 0 1 394.313 3.123 20 0 GGADMN C[C@H]1CN(CCCC(=O)c2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000450895768 566717170 /nfs/dbraw/zinc/71/71/70/566717170.db2.gz LUHUWEGPEOAZCM-KBXCAEBGSA-N 0 1 382.298 3.292 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450893307 566717186 /nfs/dbraw/zinc/71/71/86/566717186.db2.gz BLBNOLWDQRVKHY-ZANVPECISA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450893307 566717193 /nfs/dbraw/zinc/71/71/93/566717193.db2.gz BLBNOLWDQRVKHY-ZANVPECISA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450893304 566717287 /nfs/dbraw/zinc/71/72/87/566717287.db2.gz BLBNOLWDQRVKHY-NOZJJQNGSA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000450893304 566717292 /nfs/dbraw/zinc/71/72/92/566717292.db2.gz BLBNOLWDQRVKHY-NOZJJQNGSA-N 0 1 386.235 3.176 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1F ZINC000515518419 566717435 /nfs/dbraw/zinc/71/74/35/566717435.db2.gz DJZNJCBJGVLBIA-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cn1C ZINC000488245614 566717566 /nfs/dbraw/zinc/71/75/66/566717566.db2.gz GMOCZXPAKWKVGR-UHFFFAOYSA-N 0 1 396.774 3.285 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 ZINC000608380682 566717530 /nfs/dbraw/zinc/71/75/30/566717530.db2.gz UWWQAZLQNUGJPL-MKBNYLNASA-N 0 1 377.286 3.027 20 0 GGADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450896864 566717574 /nfs/dbraw/zinc/71/75/74/566717574.db2.gz OUSGJWHJTQSRNA-ZANVPECISA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450896864 566717579 /nfs/dbraw/zinc/71/75/79/566717579.db2.gz OUSGJWHJTQSRNA-ZANVPECISA-N 0 1 386.235 3.176 20 0 GGADMN CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c2cccnc21 ZINC000488264342 566718159 /nfs/dbraw/zinc/71/81/59/566718159.db2.gz LWKLTWVXBVLOLI-UHFFFAOYSA-N 0 1 398.264 3.331 20 0 GGADMN CCN(Cc1cccc(Br)c1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000488278545 566719325 /nfs/dbraw/zinc/71/93/25/566719325.db2.gz HMENTMWAMUWBKH-MRXNPFEDSA-N 0 1 391.313 3.200 20 0 GGADMN O=S(=O)(N[C@H](CCO)c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000561559757 566719873 /nfs/dbraw/zinc/71/98/73/566719873.db2.gz SZIFSZQAAQQPCA-CQSZACIVSA-N 0 1 379.787 3.159 20 0 GGADMN CCN(CCc1cccs1)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000488289906 566719993 /nfs/dbraw/zinc/71/99/93/566719993.db2.gz BTUYNXBPOCBRBC-OAHLLOKOSA-N 0 1 378.519 3.266 20 0 GGADMN COc1c(Br)cc(Cl)cc1NC(=O)NCCN1CC=CCC1 ZINC000515549093 566720758 /nfs/dbraw/zinc/72/07/58/566720758.db2.gz QGEOOSBEMSKLTR-UHFFFAOYSA-N 0 1 388.693 3.495 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H]2CCc3c2cc(F)cc3F)c(C)s1 ZINC000677041784 566720986 /nfs/dbraw/zinc/72/09/86/566720986.db2.gz AZWFTADAYGPMAK-INIZCTEOSA-N 0 1 386.489 3.199 20 0 GGADMN CCCOc1c(Br)cc(CNCc2cnc(C)[nH]c2=O)cc1OC ZINC000541382101 566720998 /nfs/dbraw/zinc/72/09/98/566720998.db2.gz YYFXMNBXNVYTDR-UHFFFAOYSA-N 0 1 396.285 3.340 20 0 GGADMN FC(F)(F)CN1CC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000541386080 566721503 /nfs/dbraw/zinc/72/15/03/566721503.db2.gz CNTUAWMYTXBSME-SNVBAGLBSA-N 0 1 394.228 3.300 20 0 GGADMN CCCOc1ccc(Br)cc1CNC[C@@H]1CCCCS1(=O)=O ZINC000541380951 566721742 /nfs/dbraw/zinc/72/17/42/566721742.db2.gz SZXFHVBAAZUYQV-HNNXBMFYSA-N 0 1 390.343 3.295 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000488348373 566721743 /nfs/dbraw/zinc/72/17/43/566721743.db2.gz JHLCLBVSKUYRMW-SNVBAGLBSA-N 0 1 383.857 3.095 20 0 GGADMN COc1cc(CNC[C@H](O)CCc2ccccc2)c(Br)cc1O ZINC000541383460 566722032 /nfs/dbraw/zinc/72/20/32/566722032.db2.gz UGISDZGFIDXBRP-OAHLLOKOSA-N 0 1 380.282 3.247 20 0 GGADMN CCCc1cc(NCc2nc3cccc(Br)c3[nH]2)n2ncnc2n1 ZINC000450941862 566722287 /nfs/dbraw/zinc/72/22/87/566722287.db2.gz GGBIMRKLVTVIDJ-UHFFFAOYSA-N 0 1 386.257 3.328 20 0 GGADMN O=c1[nH]nc(SCc2ccc(F)c(Br)c2)n1C[C@@H]1CCCO1 ZINC000515582734 566722303 /nfs/dbraw/zinc/72/23/03/566722303.db2.gz QLNJKXAZEUOZTL-JTQLQIEISA-N 0 1 388.262 3.357 20 0 GGADMN OCCN(Cc1c[nH]nc1-c1cccnc1)Cc1cccc(Br)c1 ZINC000488393893 566722805 /nfs/dbraw/zinc/72/28/05/566722805.db2.gz ZZALIFZDWNWVTA-UHFFFAOYSA-N 0 1 387.281 3.229 20 0 GGADMN COc1cc(CN(CCO)Cc2cccc(Br)c2)cc2c1OCO2 ZINC000488390568 566722996 /nfs/dbraw/zinc/72/29/96/566722996.db2.gz UWSPCVLJJJRMTE-UHFFFAOYSA-N 0 1 394.265 3.181 20 0 GGADMN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)c(F)c1 ZINC000450956455 566723467 /nfs/dbraw/zinc/72/34/67/566723467.db2.gz IHHAZSDREXMDKN-UHFFFAOYSA-N 0 1 386.470 3.087 20 0 GGADMN COc1cc(CN(CCO)Cc2cccc(Br)c2)cc(OC)c1 ZINC000488397050 566723884 /nfs/dbraw/zinc/72/38/84/566723884.db2.gz MVOCVOBCURHYKS-UHFFFAOYSA-N 0 1 380.282 3.461 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)s1 ZINC000515623382 566724004 /nfs/dbraw/zinc/72/40/04/566724004.db2.gz JCNGUPXBCDOPGR-UHFFFAOYSA-N 0 1 394.243 3.237 20 0 GGADMN CS(=O)(=O)N1CC[C@H](N[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000515659151 566725651 /nfs/dbraw/zinc/72/56/51/566725651.db2.gz HAZBBUBVZLJAQR-ZWKOTPCHSA-N 0 1 382.888 3.192 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCOCC3)cc2)s1 ZINC000450975488 566726734 /nfs/dbraw/zinc/72/67/34/566726734.db2.gz XGHDETWVJFKUMJ-UHFFFAOYSA-N 0 1 380.535 3.040 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccccc1 ZINC000426767952 566726967 /nfs/dbraw/zinc/72/69/67/566726967.db2.gz SIIDUMKVYOIOER-MRXNPFEDSA-N 0 1 377.231 3.490 20 0 GGADMN COCCSCCCN1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000488442711 566726964 /nfs/dbraw/zinc/72/69/64/566726964.db2.gz FNEDBNZMMLXDSS-MRXNPFEDSA-N 0 1 384.973 3.185 20 0 GGADMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1 ZINC000515696955 566727022 /nfs/dbraw/zinc/72/70/22/566727022.db2.gz FSMZLKNMAKEZDR-UHFFFAOYSA-N 0 1 377.285 3.494 20 0 GGADMN C[C@@H](CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl)S(C)(=O)=O ZINC000677153737 566727656 /nfs/dbraw/zinc/72/76/56/566727656.db2.gz TWAFGYMRDKCSNY-ZDUSSCGKSA-N 0 1 383.945 3.481 20 0 GGADMN CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccc(Br)c(F)c1 ZINC000677189028 566729199 /nfs/dbraw/zinc/72/91/99/566729199.db2.gz FAIWPOFFHFCIRE-UHFFFAOYSA-N 0 1 391.240 3.316 20 0 GGADMN O=C(NCCc1ccc(Cl)cc1Cl)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654347186 566729723 /nfs/dbraw/zinc/72/97/23/566729723.db2.gz UZARZGIIPOBWHI-ZDUSSCGKSA-N 0 1 384.267 3.005 20 0 GGADMN COCCNS(=O)(=O)c1ccc(CN[C@H](C)c2csc(Cl)c2)cc1 ZINC000468782041 566730126 /nfs/dbraw/zinc/73/01/26/566730126.db2.gz BYEWMARYHTVDCG-GFCCVEGCSA-N 0 1 388.942 3.177 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1Br ZINC000515737706 566730143 /nfs/dbraw/zinc/73/01/43/566730143.db2.gz DPNFLAKVISYXBP-GXTWGEPZSA-N 0 1 389.359 3.156 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)CC2CC(F)(F)C2)c2cccs2)CC1 ZINC000450989720 566730409 /nfs/dbraw/zinc/73/04/09/566730409.db2.gz QXPDEIOGFUBDDY-HNNXBMFYSA-N 0 1 392.537 3.486 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(OC)c(OC)cc2Br)C[C@H]1C ZINC000677200338 566730770 /nfs/dbraw/zinc/73/07/70/566730770.db2.gz JHGMQUMQTUGWFG-LLVKDONJSA-N 0 1 386.290 3.024 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(-n3cnnc3C)c2)c(Cl)c1 ZINC000561694586 566731086 /nfs/dbraw/zinc/73/10/86/566731086.db2.gz NRXRTISWGSIFFY-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1Br ZINC000515737708 566731013 /nfs/dbraw/zinc/73/10/13/566731013.db2.gz DPNFLAKVISYXBP-TZMCWYRMSA-N 0 1 389.359 3.156 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)C1(C2CC2)CCOCC1 ZINC000580876978 566731264 /nfs/dbraw/zinc/73/12/64/566731264.db2.gz CEGHOMHNRWUBHI-UHFFFAOYSA-N 0 1 378.270 3.148 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1ccccc1F ZINC000426803634 566731397 /nfs/dbraw/zinc/73/13/97/566731397.db2.gz NZUVNUMVZDHESJ-HNNXBMFYSA-N 0 1 380.213 3.439 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C[C@@H]1C ZINC000677212111 566731668 /nfs/dbraw/zinc/73/16/68/566731668.db2.gz IFPFNSAYMHAZLR-ZDUSSCGKSA-N 0 1 392.301 3.193 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000677234788 566732031 /nfs/dbraw/zinc/73/20/31/566732031.db2.gz KXYMUGAMBMMEOK-UHFFFAOYSA-N 0 1 376.825 3.305 20 0 GGADMN Cc1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)cnc3N)cc2)oc1C ZINC000677234629 566732502 /nfs/dbraw/zinc/73/25/02/566732502.db2.gz YXEIFJFVJRRIRW-UHFFFAOYSA-N 0 1 378.841 3.390 20 0 GGADMN CSCC[C@H](C)N(C)c1nc(C[NH+](C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000580895061 566732496 /nfs/dbraw/zinc/73/24/96/566732496.db2.gz PSAIMWKSTYYXIS-JTQLQIEISA-N 0 1 382.555 3.337 20 0 GGADMN CO[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1OC ZINC000488532286 566733761 /nfs/dbraw/zinc/73/37/61/566733761.db2.gz GJMXZXKIXYBJMH-HUUCEWRRSA-N 0 1 383.311 3.418 20 0 GGADMN CCc1[nH]nc(NS(=O)(=O)Cc2ccc(Br)c(F)c2)c1C ZINC000451006764 566733864 /nfs/dbraw/zinc/73/38/64/566733864.db2.gz RTBXHMUGUCTBKU-UHFFFAOYSA-N 0 1 376.251 3.124 20 0 GGADMN Brc1cccnc1-c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000580918545 566734686 /nfs/dbraw/zinc/73/46/86/566734686.db2.gz YBIYNVGOUFRNBU-UHFFFAOYSA-N 0 1 383.209 3.270 20 0 GGADMN Cc1cc(C[NH2+]Cc2ccc(C(=O)[O-])c(C3CC3)n2)ncc1Br ZINC000630459362 566735051 /nfs/dbraw/zinc/73/50/51/566735051.db2.gz ADTDLXRDPUOSCN-UHFFFAOYSA-N 0 1 376.254 3.413 20 0 GGADMN O[C@@H](CN[C@@H]1COc2cc(F)c(Br)cc21)COCc1ccccc1 ZINC000515833947 566735706 /nfs/dbraw/zinc/73/57/06/566735706.db2.gz DVRDZFYHIXAOOI-SUMWQHHRSA-N 0 1 396.256 3.189 20 0 GGADMN 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ZINC000581406489 566775115 /nfs/dbraw/zinc/77/51/15/566775115.db2.gz QBBZEAUFQLKFSD-UHFFFAOYSA-N 0 1 398.322 3.159 20 0 GGADMN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)c1ncccc1O ZINC000427474390 566775150 /nfs/dbraw/zinc/77/51/50/566775150.db2.gz RRGNYNNITMBVCK-UHFFFAOYSA-N 0 1 387.237 3.241 20 0 GGADMN CN(C)c1nccc(CNC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000542091834 566775511 /nfs/dbraw/zinc/77/55/11/566775511.db2.gz APKRKXVWCIXVJE-UHFFFAOYSA-N 0 1 391.313 3.101 20 0 GGADMN Cc1csc(CCNC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)n1 ZINC000655072023 566776276 /nfs/dbraw/zinc/77/62/76/566776276.db2.gz JWNRXHGKTHZMJL-UHFFFAOYSA-N 0 1 378.464 3.052 20 0 GGADMN COc1cc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(F)cc1Br ZINC000631078060 566776506 /nfs/dbraw/zinc/77/65/06/566776506.db2.gz POJXCEGXSWVFKP-NEPJUHHUSA-N 0 1 394.306 3.042 20 0 GGADMN Nc1nc(-n2cccn2)cc(N2CCC(c3cccc(Br)c3)CC2)n1 ZINC000542137375 566776852 /nfs/dbraw/zinc/77/68/52/566776852.db2.gz IIODKONEWRZAEQ-UHFFFAOYSA-N 0 1 399.296 3.221 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000489229928 566776798 /nfs/dbraw/zinc/77/67/98/566776798.db2.gz ZLWWYOLSTLCGOI-KWBADKCTSA-N 0 1 393.285 3.434 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)COc2ccc(F)cc2Br)n[nH]1 ZINC000489262898 566776849 /nfs/dbraw/zinc/77/68/49/566776849.db2.gz XUJXESXHEYTFOR-NXEZZACHSA-N 0 1 399.264 3.476 20 0 GGADMN Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@](O)(C4CC4)C3)C2=O)ccc1Br ZINC000489264409 566777533 /nfs/dbraw/zinc/77/75/33/566777533.db2.gz MEJORBBVLLDNNP-HKUYNNGSSA-N 0 1 393.325 3.100 20 0 GGADMN CN(C[C@H]1COc2ccccc2O1)[C@@H](CO)c1cccc(Br)c1 ZINC000678047968 566777947 /nfs/dbraw/zinc/77/79/47/566777947.db2.gz QRXPZTPGHDECLE-HOTGVXAUSA-N 0 1 378.266 3.254 20 0 GGADMN Fc1ccc(Br)cc1-c1n[n-]c(=NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000562297886 566778630 /nfs/dbraw/zinc/77/86/30/566778630.db2.gz MKKPTVSUDURMQT-SNVBAGLBSA-N 0 1 397.317 3.425 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(I)c2)n[nH]1 ZINC000489272956 566778896 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C[C@@H](CN1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000542183860 566781119 /nfs/dbraw/zinc/78/11/19/566781119.db2.gz NVMVUPXJOJCEHC-JTQLQIEISA-N 0 1 397.249 3.179 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-n2cnnc2C)c1 ZINC000678110101 566781423 /nfs/dbraw/zinc/78/14/23/566781423.db2.gz MFDFRNUEWNQSAE-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)[C@H](C)C(=O)NCC(F)(F)F ZINC000489321770 566781510 /nfs/dbraw/zinc/78/15/10/566781510.db2.gz CCNNXWZAXLBBBP-LLVKDONJSA-N 0 1 397.235 3.217 20 0 GGADMN COCCc1ncc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)s1 ZINC000631118396 566782420 /nfs/dbraw/zinc/78/24/20/566782420.db2.gz IVFIORMKATWXHJ-UHFFFAOYSA-N 0 1 377.901 3.164 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000655155827 566782601 /nfs/dbraw/zinc/78/26/01/566782601.db2.gz YOVFZZGFIRXECA-LURJTMIESA-N 0 1 394.166 3.224 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1Br ZINC000451251800 566782822 /nfs/dbraw/zinc/78/28/22/566782822.db2.gz WNSVCCPMVPLHRK-OAHLLOKOSA-N 0 1 395.341 3.391 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000562348048 566783134 /nfs/dbraw/zinc/78/31/34/566783134.db2.gz QDLVKTJOTYMUID-LLVKDONJSA-N 0 1 395.228 3.372 20 0 GGADMN Cc1ncncc1[C@@H](C)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000516785266 566783389 /nfs/dbraw/zinc/78/33/89/566783389.db2.gz VNOBAVJXPREYOC-WBMJQRKESA-N 0 1 375.270 3.004 20 0 GGADMN Cc1ncncc1[C@H](C)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000516785263 566783713 /nfs/dbraw/zinc/78/37/13/566783713.db2.gz VNOBAVJXPREYOC-BLLLJJGKSA-N 0 1 375.270 3.004 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCN(C)[C@H](C(C)C)C2)cc1OC ZINC000489340367 566784005 /nfs/dbraw/zinc/78/40/05/566784005.db2.gz OTYGPYSVWFRMIA-HNNXBMFYSA-N 0 1 399.329 3.269 20 0 GGADMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccncc2Br)s1 ZINC000631135679 566784247 /nfs/dbraw/zinc/78/42/47/566784247.db2.gz OKDPIUOEZKGZQD-NXEZZACHSA-N 0 1 398.330 3.011 20 0 GGADMN NS(=O)(=O)c1cc(CN[C@@H]2CCCc3c(F)cc(F)cc32)ccc1Cl ZINC000631148974 566784712 /nfs/dbraw/zinc/78/47/12/566784712.db2.gz XPJVFLJHTRRDHG-MRXNPFEDSA-N 0 1 386.851 3.433 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000542238971 566784731 /nfs/dbraw/zinc/78/47/31/566784731.db2.gz TUFFRAVNQVXYLN-AWEZNQCLSA-N 0 1 392.235 3.325 20 0 GGADMN CC(C)Oc1c(F)cc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1F ZINC000542234292 566785633 /nfs/dbraw/zinc/78/56/33/566785633.db2.gz WBXVZYOHDCVIHH-UHFFFAOYSA-N 0 1 377.800 3.183 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCN1C ZINC000489377606 566785661 /nfs/dbraw/zinc/78/56/61/566785661.db2.gz YHQNYOHUUPFSCX-QGZVFWFLSA-N 0 1 391.313 3.251 20 0 GGADMN Cc1nc(-c2cccs2)c(CC(=O)NCc2n[nH]c(C(C)(C)C)n2)s1 ZINC000655200975 566785817 /nfs/dbraw/zinc/78/58/17/566785817.db2.gz YOOFEEQOCZPRLP-UHFFFAOYSA-N 0 1 375.523 3.455 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)cn1)c1ccc(F)c(Br)c1 ZINC000427651541 566786519 /nfs/dbraw/zinc/78/65/19/566786519.db2.gz QTKUUAZJFRSOGZ-UHFFFAOYSA-N 0 1 397.172 3.385 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000516844396 566786851 /nfs/dbraw/zinc/78/68/51/566786851.db2.gz QWJDNRTVFPFFBT-UHFFFAOYSA-N 0 1 376.331 3.468 20 0 GGADMN CC(=O)NC1CCC(N(C)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000542247650 566786814 /nfs/dbraw/zinc/78/68/14/566786814.db2.gz DWUJJJJXQPDBIF-UHFFFAOYSA-N 0 1 397.313 3.099 20 0 GGADMN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N1CCc2[nH]nnc2C1 ZINC000469409590 566786852 /nfs/dbraw/zinc/78/68/52/566786852.db2.gz GWKZHPZIIHLHCP-UHFFFAOYSA-N 0 1 394.287 3.362 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Cc2ccc(Br)c(Cl)c2)n[nH]1 ZINC000655205686 566787689 /nfs/dbraw/zinc/78/76/89/566787689.db2.gz LTBKVTWWLBCTDB-UHFFFAOYSA-N 0 1 385.693 3.377 20 0 GGADMN O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCc2[nH]nnc2C1 ZINC000469407914 566787699 /nfs/dbraw/zinc/78/76/99/566787699.db2.gz LMPPWJNFYBRNLR-UHFFFAOYSA-N 0 1 389.278 3.494 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000678221363 566787695 /nfs/dbraw/zinc/78/76/95/566787695.db2.gz AQHKYCNDKMCOOZ-UHFFFAOYSA-N 0 1 399.292 3.283 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000562400152 566787808 /nfs/dbraw/zinc/78/78/08/566787808.db2.gz WAWXANOWCLXHPZ-OKILXGFUSA-N 0 1 383.330 3.295 20 0 GGADMN O=c1[nH]cccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000581564009 566788342 /nfs/dbraw/zinc/78/83/42/566788342.db2.gz VQJRYMRRLBRIAV-UHFFFAOYSA-N 0 1 381.610 3.143 20 0 GGADMN COc1ccsc1S(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469417228 566788333 /nfs/dbraw/zinc/78/83/33/566788333.db2.gz ALKVOTQZHYJLLD-MRXNPFEDSA-N 0 1 382.551 3.192 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000655234561 566788992 /nfs/dbraw/zinc/78/89/92/566788992.db2.gz SBGHUEYDUHKVJM-SCRDCRAPSA-N 0 1 381.263 3.383 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc2cc(Br)ccc2o1 ZINC000655236658 566789038 /nfs/dbraw/zinc/78/90/38/566789038.db2.gz HBAPLYXBPLPYPJ-LBPRGKRZSA-N 0 1 391.225 3.095 20 0 GGADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000655230458 566789188 /nfs/dbraw/zinc/78/91/88/566789188.db2.gz ADTYKZAGZBBSGE-MISXGVKJSA-N 0 1 381.263 3.383 20 0 GGADMN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655235847 566789234 /nfs/dbraw/zinc/78/92/34/566789234.db2.gz LTXUXGYPHFRTJR-ZANVPECISA-N 0 1 385.251 3.047 20 0 GGADMN CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451293379 566789415 /nfs/dbraw/zinc/78/94/15/566789415.db2.gz DKBHVNQHSOKRPJ-WBMJQRKESA-N 0 1 385.917 3.356 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655236431 566789489 /nfs/dbraw/zinc/78/94/89/566789489.db2.gz OUELDESSCHAJNG-NOZJJQNGSA-N 0 1 385.251 3.047 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655234456 566789527 /nfs/dbraw/zinc/78/95/27/566789527.db2.gz QJYCNQRVSSLVGN-HZMBPMFUSA-N 0 1 383.279 3.458 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1Cl)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655235538 566789546 /nfs/dbraw/zinc/78/95/46/566789546.db2.gz JRXOYFKOINLRQI-ZDUSSCGKSA-N 0 1 385.251 3.048 20 0 GGADMN CCOC[C@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451293377 566790106 /nfs/dbraw/zinc/79/01/06/566790106.db2.gz DKBHVNQHSOKRPJ-LRDDRELGSA-N 0 1 385.917 3.356 20 0 GGADMN C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccccc2Cl)CCN1Cc1ccccc1 ZINC000516889978 566790364 /nfs/dbraw/zinc/79/03/64/566790364.db2.gz VEUYOHQNAXRUDQ-BEFAXECRSA-N 0 1 378.925 3.422 20 0 GGADMN C[C@H]1[C@@H](NS(=O)(=O)Cc2ccccc2Cl)CCN1Cc1ccccc1 ZINC000516889987 566790484 /nfs/dbraw/zinc/79/04/84/566790484.db2.gz VEUYOHQNAXRUDQ-KXBFYZLASA-N 0 1 378.925 3.422 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1Br ZINC000516899274 566790589 /nfs/dbraw/zinc/79/05/89/566790589.db2.gz FHNMDFVZHGDEFU-UHFFFAOYSA-N 0 1 399.222 3.105 20 0 GGADMN CCc1csc(CC2CCN(C(=O)CCSc3nnc(C)[nH]3)CC2)n1 ZINC000655262055 566790885 /nfs/dbraw/zinc/79/08/85/566790885.db2.gz QAKVMWMMVAGQTA-UHFFFAOYSA-N 0 1 379.555 3.096 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cnn(-c2cccnc2)c1 ZINC000469462657 566791997 /nfs/dbraw/zinc/79/19/97/566791997.db2.gz LSMNYAYKQYFPAP-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN C[C@H]1CCN(CC(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000581616216 566792476 /nfs/dbraw/zinc/79/24/76/566792476.db2.gz GCWDBAPDVRAFJK-AWEZNQCLSA-N 0 1 385.335 3.500 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(Br)c1OC ZINC000516933066 566792725 /nfs/dbraw/zinc/79/27/25/566792725.db2.gz ORPKQQQZBABJGL-WBIUFABUSA-N 0 1 384.270 3.151 20 0 GGADMN COCCn1ncc2ccc(NC(=O)c3ccc(Br)cc3O)cc21 ZINC000678305927 566793089 /nfs/dbraw/zinc/79/30/89/566793089.db2.gz CTUIYVUADLDBDP-UHFFFAOYSA-N 0 1 390.237 3.403 20 0 GGADMN C[C@@H]1CCN(CC(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000581616217 566792970 /nfs/dbraw/zinc/79/29/70/566792970.db2.gz GCWDBAPDVRAFJK-CQSZACIVSA-N 0 1 385.335 3.500 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000581604069 566793257 /nfs/dbraw/zinc/79/32/57/566793257.db2.gz BTAVFGBKJSJLPQ-VIFPVBQESA-N 0 1 398.236 3.126 20 0 GGADMN CCN(C)C(=O)[C@@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C(C)C ZINC000451311465 566793179 /nfs/dbraw/zinc/79/31/79/566793179.db2.gz JLVVYDZUFYYLEN-SJCJKPOMSA-N 0 1 388.339 3.263 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)[C@H](C(=O)[O-])C1 ZINC000516939063 566793408 /nfs/dbraw/zinc/79/34/08/566793408.db2.gz KQYIBMOEUQVODL-GJZGRUSLSA-N 0 1 379.254 3.061 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)S(=O)(=O)c1cccs1 ZINC000562466360 566793871 /nfs/dbraw/zinc/79/38/71/566793871.db2.gz SNCFAIJYQBFMRF-MRXNPFEDSA-N 0 1 380.535 3.129 20 0 GGADMN CN(CCn1cc(Br)cn1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000581631335 566794306 /nfs/dbraw/zinc/79/43/06/566794306.db2.gz XNJGQNQECWSZKI-UHFFFAOYSA-N 0 1 393.207 3.114 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631263181 566795016 /nfs/dbraw/zinc/79/50/16/566795016.db2.gz YXWPDGBQKNCWNW-GGZOMVNGSA-N 0 1 395.219 3.003 20 0 GGADMN COCC(=O)NC1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000678312845 566795264 /nfs/dbraw/zinc/79/52/64/566795264.db2.gz NQUOFQOAHCWWAO-KRWDZBQOSA-N 0 1 381.314 3.054 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000469503718 566795393 /nfs/dbraw/zinc/79/53/93/566795393.db2.gz SWVMFCHLGXXFEZ-ZDUSSCGKSA-N 0 1 376.913 3.447 20 0 GGADMN CSc1ccccc1S(=O)(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000427769247 566795712 /nfs/dbraw/zinc/79/57/12/566795712.db2.gz VILLGVYLZIIGFQ-MRXNPFEDSA-N 0 1 376.547 3.480 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000469503717 566795843 /nfs/dbraw/zinc/79/58/43/566795843.db2.gz SWVMFCHLGXXFEZ-CYBMUJFWSA-N 0 1 376.913 3.447 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000542366663 566796258 /nfs/dbraw/zinc/79/62/58/566796258.db2.gz JJCBRMVYYDSWMV-NSHDSACASA-N 0 1 394.269 3.253 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2cccc3c2CN(C)C3)c1 ZINC000427767854 566796510 /nfs/dbraw/zinc/79/65/10/566796510.db2.gz PYBLSDCDQCJUNZ-UHFFFAOYSA-N 0 1 397.294 3.204 20 0 GGADMN CCOCCC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCC1 ZINC000451322651 566796453 /nfs/dbraw/zinc/79/64/53/566796453.db2.gz GJSUABKBTCZKAD-UHFFFAOYSA-N 0 1 381.416 3.286 20 0 GGADMN COCC[C@]1(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCOC1 ZINC000562493432 566796711 /nfs/dbraw/zinc/79/67/11/566796711.db2.gz RVXWEGXNURZIAE-HNNXBMFYSA-N 0 1 380.794 3.083 20 0 GGADMN COC[C@]1(C(=O)OC)CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000451330697 566797398 /nfs/dbraw/zinc/79/73/98/566797398.db2.gz BDXHJSYCIFNKDA-SFHVURJKSA-N 0 1 380.897 3.475 20 0 GGADMN Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)nc(-c2ccc(Br)cc2)n1 ZINC000631307899 566797650 /nfs/dbraw/zinc/79/76/50/566797650.db2.gz WZSGLMKJMZLWTQ-ZDUSSCGKSA-N 0 1 385.269 3.327 20 0 GGADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000469547563 566798426 /nfs/dbraw/zinc/79/84/26/566798426.db2.gz QZFHOCVXRCMTPV-UHFFFAOYSA-N 0 1 382.511 3.343 20 0 GGADMN CCn1c(NC(=O)c2cnc3nc[nH]c3c2)nc2ccc(Br)cc21 ZINC000678431323 566799470 /nfs/dbraw/zinc/79/94/70/566799470.db2.gz AKFSPARCZDNVNN-UHFFFAOYSA-N 0 1 385.225 3.342 20 0 GGADMN CC(=O)N(c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1)[C@@H]1C[C@H]1C ZINC000562541685 566799672 /nfs/dbraw/zinc/79/96/72/566799672.db2.gz IMNUGHGLINURSC-PIGZYNQJSA-N 0 1 379.869 3.297 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@@](C)(O)CSC)c1ccccc1Cl ZINC000610022286 566800162 /nfs/dbraw/zinc/80/01/62/566800162.db2.gz HTPKRKVJIIBXNN-FUHWJXTLSA-N 0 1 387.977 3.136 20 0 GGADMN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451343466 566800770 /nfs/dbraw/zinc/80/07/70/566800770.db2.gz IRXBAEYUZJTELY-MRVPVSSYSA-N 0 1 378.372 3.098 20 0 GGADMN CS(=O)(=O)N1CC[C@@H](NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000517034556 566801286 /nfs/dbraw/zinc/80/12/86/566801286.db2.gz FTMVCEPVVDGXDB-GFCCVEGCSA-N 0 1 389.304 3.377 20 0 GGADMN NC1(c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)CCCC1 ZINC000581726038 566801784 /nfs/dbraw/zinc/80/17/84/566801784.db2.gz WOPRFFXJMCOVRM-UHFFFAOYSA-N 0 1 376.873 3.324 20 0 GGADMN COCCCn1c(=O)[nH]nc1SCC(=O)c1c(Cl)cccc1Cl ZINC000655464709 566802028 /nfs/dbraw/zinc/80/20/28/566802028.db2.gz FYMUGWGAFYAJRM-UHFFFAOYSA-N 0 1 376.265 3.302 20 0 GGADMN CN(C)c1ncc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000655460856 566802062 /nfs/dbraw/zinc/80/20/62/566802062.db2.gz YJSKVLKWCRABMU-MRXNPFEDSA-N 0 1 379.291 3.241 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1F ZINC000451353778 566802460 /nfs/dbraw/zinc/80/24/60/566802460.db2.gz LCYTUMOOSIUWNW-HNNXBMFYSA-N 0 1 378.460 3.132 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000517040426 566802564 /nfs/dbraw/zinc/80/25/64/566802564.db2.gz QHFFPYQYEDPHGR-YMTOWFKASA-N 0 1 375.778 3.110 20 0 GGADMN COc1ccc(C[C@H](CO)CN[C@@H](C)c2cscn2)cc1Br ZINC000562569042 566802685 /nfs/dbraw/zinc/80/26/85/566802685.db2.gz CBJLRFZORAPUSJ-AAEUAGOBSA-N 0 1 385.327 3.416 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000655483677 566802889 /nfs/dbraw/zinc/80/28/89/566802889.db2.gz FBVRXBNTRYNAGE-UHFFFAOYSA-N 0 1 383.279 3.138 20 0 GGADMN C[C@H](CS(=O)(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000427854996 566802967 /nfs/dbraw/zinc/80/29/67/566802967.db2.gz RTRWFTRRFLYGAA-QGZVFWFLSA-N 0 1 382.595 3.071 20 0 GGADMN CO[C@@H](C(=O)N1CCNC[C@@H]1c1ccccc1)c1ccccc1Br ZINC000655478582 566802981 /nfs/dbraw/zinc/80/29/81/566802981.db2.gz WMOQDXXVNUVYDZ-QZTJIDSGSA-N 0 1 389.293 3.310 20 0 GGADMN COc1ccc(C[C@H](CO)CN[C@H](C)c2cscn2)cc1Br ZINC000562569046 566803080 /nfs/dbraw/zinc/80/30/80/566803080.db2.gz CBJLRFZORAPUSJ-YPMHNXCESA-N 0 1 385.327 3.416 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000517040424 566803155 /nfs/dbraw/zinc/80/31/55/566803155.db2.gz QHFFPYQYEDPHGR-OTYXRUKQSA-N 0 1 375.778 3.110 20 0 GGADMN Cc1ccncc1[C@@H](C)NCCS(=O)(=O)c1ccc(Br)cc1 ZINC000678544581 566803725 /nfs/dbraw/zinc/80/37/25/566803725.db2.gz RFTGOPBZGHBCHC-CYBMUJFWSA-N 0 1 383.311 3.277 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(I)cc1C ZINC000562583874 566804599 /nfs/dbraw/zinc/80/45/99/566804599.db2.gz JDNFAWKTFXXZNI-ZDUSSCGKSA-N 0 1 387.265 3.158 20 0 GGADMN Cc1c([C@@H](C)NC[C@@H]2CCCCS2(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000542497981 566805820 /nfs/dbraw/zinc/80/58/20/566805820.db2.gz DPHNNFSBMRTGBM-DYVFJYSZSA-N 0 1 381.929 3.452 20 0 GGADMN CC(C)c1nc(CNC(=O)NCCCc2cccc(Br)c2)n[nH]1 ZINC000655505633 566805929 /nfs/dbraw/zinc/80/59/29/566805929.db2.gz CEHRWPYWINFIQG-UHFFFAOYSA-N 0 1 380.290 3.123 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000610108916 566806079 /nfs/dbraw/zinc/80/60/79/566806079.db2.gz NUVSASHZEFAMHT-UHFFFAOYSA-N 0 1 376.463 3.261 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](CO)SC)c1ccccc1Cl ZINC000610099626 566806170 /nfs/dbraw/zinc/80/61/70/566806170.db2.gz ASRZXTWJLPPUIU-IAOVAPTHSA-N 0 1 387.977 3.135 20 0 GGADMN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000427950619 566806202 /nfs/dbraw/zinc/80/62/02/566806202.db2.gz MPGJRIMOWKGWCL-QMMMGPOBSA-N 0 1 387.702 3.037 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@H](CO)SC)c1ccccc1Cl ZINC000610099628 566806264 /nfs/dbraw/zinc/80/62/64/566806264.db2.gz ASRZXTWJLPPUIU-XKQJLSEDSA-N 0 1 387.977 3.135 20 0 GGADMN COc1ccc([C@H](C)NC[C@H]2CCCCS2(=O)=O)cc1Br ZINC000542498607 566806616 /nfs/dbraw/zinc/80/66/16/566806616.db2.gz IYDHPDUGSYYTOR-WCQYABFASA-N 0 1 376.316 3.076 20 0 GGADMN COc1ccc([C@@H](C)NC[C@H]2CCCCS2(=O)=O)cc1Br ZINC000542498602 566806829 /nfs/dbraw/zinc/80/68/29/566806829.db2.gz IYDHPDUGSYYTOR-DGCLKSJQSA-N 0 1 376.316 3.076 20 0 GGADMN CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451373529 566806913 /nfs/dbraw/zinc/80/69/13/566806913.db2.gz IVSCDUSSXFCBOD-CHWSQXEVSA-N 0 1 381.416 3.283 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1N1CCNC1=O ZINC000427982877 566807402 /nfs/dbraw/zinc/80/74/02/566807402.db2.gz RYDAEGBBDUKMFH-UHFFFAOYSA-N 0 1 390.237 3.245 20 0 GGADMN Cc1cccc(C)c1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000489759580 566808294 /nfs/dbraw/zinc/80/82/94/566808294.db2.gz YARMMPQQCZPXLF-UHFFFAOYSA-N 0 1 396.266 3.449 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](CCSC)C(=O)N(C)C)cc1Br ZINC000489762187 566808649 /nfs/dbraw/zinc/80/86/49/566808649.db2.gz CAJLMOZWQQTBBG-RISCZKNCSA-N 0 1 389.359 3.318 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1cc(C)[nH]n1 ZINC000678633501 566809123 /nfs/dbraw/zinc/80/91/23/566809123.db2.gz LXNCKWKHGSXVOC-XHDPSFHLSA-N 0 1 381.274 3.056 20 0 GGADMN COc1ccccc1[C@H](CNc1ncccc1I)N(C)C ZINC000610128338 566809137 /nfs/dbraw/zinc/80/91/37/566809137.db2.gz XORVRORJUQVIOQ-AWEZNQCLSA-N 0 1 397.260 3.410 20 0 GGADMN COCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1ccco1 ZINC000451385994 566809345 /nfs/dbraw/zinc/80/93/45/566809345.db2.gz UVOZSUSWUDUPNH-LLVKDONJSA-N 0 1 379.356 3.060 20 0 GGADMN COCC[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000542532753 566809976 /nfs/dbraw/zinc/80/99/76/566809976.db2.gz KFLOKUGGEKGKNR-HOCLYGCPSA-N 0 1 384.270 3.149 20 0 GGADMN Cc1csc([C@H](C)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)n1 ZINC000451390911 566809977 /nfs/dbraw/zinc/80/99/77/566809977.db2.gz BIEVMPVZVFRGDX-MRVPVSSYSA-N 0 1 380.413 3.258 20 0 GGADMN Cc1ccc2nc(CNC[C@H](O)COc3cccc(Cl)c3Cl)cn2c1 ZINC000517187528 566810190 /nfs/dbraw/zinc/81/01/90/566810190.db2.gz MJROVCJPHKUBQL-AWEZNQCLSA-N 0 1 380.275 3.479 20 0 GGADMN C[C@H](CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1nccs1 ZINC000451392379 566810795 /nfs/dbraw/zinc/81/07/95/566810795.db2.gz GJMMQNBRQFALEQ-SECBINFHSA-N 0 1 380.413 3.292 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCC(CF)CC1 ZINC000451393709 566811187 /nfs/dbraw/zinc/81/11/87/566811187.db2.gz NBGUBHUYVKLJOO-NSHDSACASA-N 0 1 390.240 3.300 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1Cl ZINC000655546742 566811484 /nfs/dbraw/zinc/81/14/84/566811484.db2.gz LYTHOCYKQCBLHN-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(Br)c1[O-] ZINC000517192463 566811413 /nfs/dbraw/zinc/81/14/13/566811413.db2.gz KFSLXNJVHODORU-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN CC[C@@H](CN(C)CCN1CCCS1(=O)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000469751608 566811522 /nfs/dbraw/zinc/81/15/22/566811522.db2.gz JDXYHTVSBPJCLZ-ZDUSSCGKSA-N 0 1 395.352 3.118 20 0 GGADMN CNC(=O)[C@H](CCSC)N[C@@H]1CCc2c1cc(Br)cc2F ZINC000489824638 566812570 /nfs/dbraw/zinc/81/25/70/566812570.db2.gz JFBZZWZMFDLMMF-KGLIPLIRSA-N 0 1 375.307 3.033 20 0 GGADMN C[C@@H](NC[C@@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000562703261 566813364 /nfs/dbraw/zinc/81/33/64/566813364.db2.gz DXQQGJLJWWDQMO-NEPJUHHUSA-N 0 1 393.285 3.066 20 0 GGADMN CSc1ccc(OC[C@H](O)CN2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000562701139 566813698 /nfs/dbraw/zinc/81/36/98/566813698.db2.gz CFBRTZZCMMNGKH-UKRRQHHQSA-N 0 1 379.444 3.192 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(I)cn2)o1 ZINC000610184168 566813924 /nfs/dbraw/zinc/81/39/24/566813924.db2.gz WBNURNIIVUNNIM-UHFFFAOYSA-N 0 1 399.232 3.373 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000428063868 566814102 /nfs/dbraw/zinc/81/41/02/566814102.db2.gz ZGGTUVHEEGKDEI-WBVHZDCISA-N 0 1 380.330 3.018 20 0 GGADMN C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1nc(C(C)(C)C)cs1 ZINC000542589176 566814183 /nfs/dbraw/zinc/81/41/83/566814183.db2.gz ZZMFNEVUOQNERT-LLVKDONJSA-N 0 1 378.523 3.113 20 0 GGADMN CCc1cccc(CC)c1S(=O)(=O)Nc1ccccc1S(=O)(=O)CC ZINC000678720082 566814451 /nfs/dbraw/zinc/81/44/51/566814451.db2.gz OHFNUEUWAHXPAY-UHFFFAOYSA-N 0 1 381.519 3.406 20 0 GGADMN Fc1ccc([C@@H](NCCOc2ccc(Br)cc2)c2nnc[nH]2)cc1 ZINC000581934525 566814957 /nfs/dbraw/zinc/81/49/57/566814957.db2.gz VVJHDCJGDIVZSM-MRXNPFEDSA-N 0 1 391.244 3.464 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(I)c1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000610216228 566815050 /nfs/dbraw/zinc/81/50/50/566815050.db2.gz GMAOKTFUBQRINZ-LEWSCRJBSA-N 0 1 384.261 3.206 20 0 GGADMN O=S(=O)(Cc1ccc(Br)c(F)c1)Nc1ccc(C2CC2)nn1 ZINC000562706810 566815131 /nfs/dbraw/zinc/81/51/31/566815131.db2.gz ZXODQMBOWDFGNZ-UHFFFAOYSA-N 0 1 386.246 3.198 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000562704943 566815840 /nfs/dbraw/zinc/81/58/40/566815840.db2.gz ODCYXPRIFBSQDN-GXFFZTMASA-N 0 1 382.295 3.087 20 0 GGADMN O=S(=O)(NCC(F)(F)C(F)F)c1cccc(Cl)c1Br ZINC000517258077 566815882 /nfs/dbraw/zinc/81/58/82/566815882.db2.gz QXHFTEWEYMWBDO-UHFFFAOYSA-N 0 1 384.576 3.281 20 0 GGADMN O=C(CSc1cccc(Br)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000517250011 566815952 /nfs/dbraw/zinc/81/59/52/566815952.db2.gz VUTGPDMWHFMQGE-UHFFFAOYSA-N 0 1 398.282 3.036 20 0 GGADMN Cc1nnc([C@@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000562704943 566815847 /nfs/dbraw/zinc/81/58/47/566815847.db2.gz ODCYXPRIFBSQDN-GXFFZTMASA-N 0 1 382.295 3.087 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000655580522 566816220 /nfs/dbraw/zinc/81/62/20/566816220.db2.gz AQQPBDCSIAEJLR-INIZCTEOSA-N 0 1 379.551 3.223 20 0 GGADMN CCc1ccccc1NC(=O)C[C@H](C)NCc1c(Br)cnn1C ZINC000631683515 566816431 /nfs/dbraw/zinc/81/64/31/566816431.db2.gz HXLMTJYYTKBVQG-LBPRGKRZSA-N 0 1 379.302 3.252 20 0 GGADMN CSCC[C@H](N[C@H]1CCc2c1cc(Br)cc2F)C(=O)N(C)C ZINC000489886882 566816487 /nfs/dbraw/zinc/81/64/87/566816487.db2.gz QZPARUXQJIMVES-GJZGRUSLSA-N 0 1 389.334 3.375 20 0 GGADMN FC(F)(F)[C@@H](CN[C@@H]1CCc2c1cccc2Br)n1cncn1 ZINC000631689540 566816607 /nfs/dbraw/zinc/81/66/07/566816607.db2.gz UAIVHDFTGQOZJZ-CHWSQXEVSA-N 0 1 375.192 3.421 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000655580523 566816657 /nfs/dbraw/zinc/81/66/57/566816657.db2.gz AQQPBDCSIAEJLR-MRXNPFEDSA-N 0 1 379.551 3.223 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCc1ccccc1Br ZINC000610231316 566816681 /nfs/dbraw/zinc/81/66/81/566816681.db2.gz MBEXPYLNAJKMRK-UHFFFAOYSA-N 0 1 380.242 3.229 20 0 GGADMN CCCN(C)CC(=O)Nc1nc2ccc(I)cc2s1 ZINC000428110261 566817010 /nfs/dbraw/zinc/81/70/10/566817010.db2.gz GXYVIHQXVIPYMX-UHFFFAOYSA-N 0 1 389.262 3.181 20 0 GGADMN CC1(C)CN(C[C@H](O)COc2ccc(Br)cc2)[C@H]1[C@@H]1CCCO1 ZINC000581948766 566816834 /nfs/dbraw/zinc/81/68/34/566816834.db2.gz AOOJCVKGFVDGFX-XIRDDKMYSA-N 0 1 384.314 3.078 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000610231282 566816886 /nfs/dbraw/zinc/81/68/86/566816886.db2.gz JXMXSJVLWAEJTB-SECBINFHSA-N 0 1 396.241 3.063 20 0 GGADMN Cc1ccc(NC(=O)C[C@H](C)NCc2c(Br)cnn2C)c(C)c1 ZINC000631684276 566817081 /nfs/dbraw/zinc/81/70/81/566817081.db2.gz LNVDBDKTJQHNMD-ZDUSSCGKSA-N 0 1 379.302 3.306 20 0 GGADMN CC[C@@H]1Cc2c(Br)cccc2CN1C[C@@H](O)COC1CCOCC1 ZINC000517275205 566817175 /nfs/dbraw/zinc/81/71/75/566817175.db2.gz GAXBCLSGZQNFJZ-HZPDHXFCSA-N 0 1 398.341 3.142 20 0 GGADMN CC[C@H]1Cc2c(Br)cccc2CN1C[C@H](O)COC1CCOCC1 ZINC000517275204 566817629 /nfs/dbraw/zinc/81/76/29/566817629.db2.gz GAXBCLSGZQNFJZ-HOTGVXAUSA-N 0 1 398.341 3.142 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1sccc1Br ZINC000517284990 566817929 /nfs/dbraw/zinc/81/79/29/566817929.db2.gz LQSCPFREFQWTDE-UHFFFAOYSA-N 0 1 381.230 3.365 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1sccc1Br ZINC000517284990 566817934 /nfs/dbraw/zinc/81/79/34/566817934.db2.gz LQSCPFREFQWTDE-UHFFFAOYSA-N 0 1 381.230 3.365 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)s1 ZINC000517288096 566818078 /nfs/dbraw/zinc/81/80/78/566818078.db2.gz ZOVOTOWQFPTBRQ-UHFFFAOYSA-N 0 1 381.230 3.365 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Br)s1 ZINC000517288096 566818082 /nfs/dbraw/zinc/81/80/82/566818082.db2.gz ZOVOTOWQFPTBRQ-UHFFFAOYSA-N 0 1 381.230 3.365 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccn(C(F)F)n1 ZINC000678824188 566818480 /nfs/dbraw/zinc/81/84/80/566818480.db2.gz VTMNANWKJQGUAV-UHFFFAOYSA-N 0 1 383.156 3.078 20 0 GGADMN CN1CC[N@H+](C)[C@@H](CNc2ccnc3c(Cl)cc(Br)cc23)C1 ZINC000428126505 566818951 /nfs/dbraw/zinc/81/89/51/566818951.db2.gz BZSZVRGOGFVWII-LBPRGKRZSA-N 0 1 383.721 3.308 20 0 GGADMN CSCC[C@H](N[C@@H](C)c1ccc(Br)c(F)c1)C(=O)N(C)C ZINC000489938854 566819106 /nfs/dbraw/zinc/81/91/06/566819106.db2.gz ZSFYZABEEMBJPL-HZMBPMFUSA-N 0 1 377.323 3.449 20 0 GGADMN Cc1nnc(SCC(=O)NC(C)(C)c2ccc(Br)c(C)c2)[nH]1 ZINC000428131021 566819047 /nfs/dbraw/zinc/81/90/47/566819047.db2.gz NZBWYIMQTXISSB-UHFFFAOYSA-N 0 1 383.315 3.328 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC(C)(C)c2ccc(Br)c(C)c2)n1 ZINC000428131021 566819055 /nfs/dbraw/zinc/81/90/55/566819055.db2.gz NZBWYIMQTXISSB-UHFFFAOYSA-N 0 1 383.315 3.328 20 0 GGADMN COc1cccc(S(=O)(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)c1F ZINC000655598408 566819304 /nfs/dbraw/zinc/81/93/04/566819304.db2.gz DBLNDEYDPOXOSB-LLVKDONJSA-N 0 1 384.376 3.181 20 0 GGADMN COc1cccc(S(=O)(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)c1F ZINC000655598409 566819454 /nfs/dbraw/zinc/81/94/54/566819454.db2.gz DBLNDEYDPOXOSB-NSHDSACASA-N 0 1 384.376 3.181 20 0 GGADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000517321084 566819543 /nfs/dbraw/zinc/81/95/43/566819543.db2.gz ROPIHYRZRXHTNV-IXYNUQLISA-N 0 1 375.340 3.456 20 0 GGADMN CC(C)[N@H+]1CC[C@H](CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000542727680 566820229 /nfs/dbraw/zinc/82/02/29/566820229.db2.gz HXYBSYXHPPHEMO-GFCCVEGCSA-N 0 1 379.917 3.132 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000517362268 566821020 /nfs/dbraw/zinc/82/10/20/566821020.db2.gz ZLZKXDIAAMTIEA-UHFFFAOYSA-N 0 1 391.313 3.049 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cccc(Br)c1[O-])[NH+](C)C ZINC000517349121 566821069 /nfs/dbraw/zinc/82/10/69/566821069.db2.gz XWBVXQVYNYJBQP-OAHLLOKOSA-N 0 1 393.281 3.196 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000517353810 566821083 /nfs/dbraw/zinc/82/10/83/566821083.db2.gz ZHVHKKQTPRUWEF-CQSZACIVSA-N 0 1 377.941 3.434 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000517353405 566821206 /nfs/dbraw/zinc/82/12/06/566821206.db2.gz NLFPRFAMGLLXTP-STQMWFEESA-N 0 1 390.380 3.226 20 0 GGADMN CCC(CC)C(=O)N1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000517373450 566822648 /nfs/dbraw/zinc/82/26/48/566822648.db2.gz PCMHHQGGZFSIPV-UHFFFAOYSA-N 0 1 397.313 3.312 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000542735570 566822752 /nfs/dbraw/zinc/82/27/52/566822752.db2.gz 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COC(=O)c1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[nH]1 ZINC000542854874 566830468 /nfs/dbraw/zinc/83/04/68/566830468.db2.gz XESXUQAAAUXETD-CQSZACIVSA-N 0 1 382.247 3.003 20 0 GGADMN CCc1nc(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)n[nH]1 ZINC000562880356 566830392 /nfs/dbraw/zinc/83/03/92/566830392.db2.gz VTVFLTWGGNUXMQ-UHFFFAOYSA-N 0 1 392.179 3.470 20 0 GGADMN O=S(=O)(C[C@H]1CCC(F)(F)C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000631847580 566830990 /nfs/dbraw/zinc/83/09/90/566830990.db2.gz XOLOWRONYYBXMO-LSDHHAIUSA-N 0 1 392.537 3.315 20 0 GGADMN C[N@H+]1CCCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000517525240 566831088 /nfs/dbraw/zinc/83/10/88/566831088.db2.gz ATGMDJMPXQSBQO-UHFFFAOYSA-N 0 1 380.330 3.218 20 0 GGADMN O[C@@H](CNCc1ccc(Cl)cc1I)CC(F)(F)F ZINC000582118081 566831381 /nfs/dbraw/zinc/83/13/81/566831381.db2.gz XNAYXGZKYFZQJK-SECBINFHSA-N 0 1 393.574 3.348 20 0 GGADMN CC(C)Cn1cc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cn1 ZINC000542839906 566831343 /nfs/dbraw/zinc/83/13/43/566831343.db2.gz JVKXWSUNUCNLKD-UHFFFAOYSA-N 0 1 389.257 3.339 20 0 GGADMN CC(C)c1nc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)n[nH]1 ZINC000428310951 566831861 /nfs/dbraw/zinc/83/18/61/566831861.db2.gz JMWVPOHTMMVMPP-SNVBAGLBSA-N 0 1 381.274 3.313 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC000562895176 566832060 /nfs/dbraw/zinc/83/20/60/566832060.db2.gz WJZPMBNXBAQCEE-CQSZACIVSA-N 0 1 388.917 3.484 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000679063807 566833310 /nfs/dbraw/zinc/83/33/10/566833310.db2.gz GUIIGKRATAFPSN-GDLVEWKHSA-N 0 1 395.276 3.166 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1Cl ZINC000655669226 566833386 /nfs/dbraw/zinc/83/33/86/566833386.db2.gz NAEZECZUVFZITA-RYUDHWBXSA-N 0 1 393.336 3.297 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000451534710 566833676 /nfs/dbraw/zinc/83/36/76/566833676.db2.gz NICBYMKISXRRFC-RRFJBIMHSA-N 0 1 378.485 3.454 20 0 GGADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(CC(F)(F)F)cc1 ZINC000655667904 566834372 /nfs/dbraw/zinc/83/43/72/566834372.db2.gz LBFUOSMJXWNJRY-HOTGVXAUSA-N 0 1 376.444 3.087 20 0 GGADMN O=C(CCc1c[nH]nn1)N(Cc1ccccc1Br)C1CCCC1 ZINC000631910891 566834955 /nfs/dbraw/zinc/83/49/55/566834955.db2.gz QHGOLUMPBIEWMI-UHFFFAOYSA-N 0 1 377.286 3.471 20 0 GGADMN O=C(CCc1cnn[nH]1)N(Cc1ccccc1Br)C1CCCC1 ZINC000631910891 566834963 /nfs/dbraw/zinc/83/49/63/566834963.db2.gz QHGOLUMPBIEWMI-UHFFFAOYSA-N 0 1 377.286 3.471 20 0 GGADMN C[C@@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000582145377 566835374 /nfs/dbraw/zinc/83/53/74/566835374.db2.gz DNHJVSMKMJWVFQ-TZMCWYRMSA-N 0 1 394.368 3.305 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1Br ZINC000582156187 566835757 /nfs/dbraw/zinc/83/57/57/566835757.db2.gz GKGMFFWTXWBTRJ-CYBMUJFWSA-N 0 1 399.720 3.421 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCCc3cn[nH]c3C)c2)n1 ZINC000451545119 566835984 /nfs/dbraw/zinc/83/59/84/566835984.db2.gz 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ZINC000490227915 566837277 /nfs/dbraw/zinc/83/72/77/566837277.db2.gz WMHLIMCRVAOTAO-DYVFJYSZSA-N 0 1 381.314 3.403 20 0 GGADMN CO[C@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000451556998 566837880 /nfs/dbraw/zinc/83/78/80/566837880.db2.gz NNCXYJKHVDPOBP-CVEARBPZSA-N 0 1 381.314 3.301 20 0 GGADMN CO[C@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1(C)C ZINC000451549649 566838124 /nfs/dbraw/zinc/83/81/24/566838124.db2.gz PWIUTGRJIYHBMV-INIZCTEOSA-N 0 1 383.330 3.154 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)c(Br)c1 ZINC000517639250 566838408 /nfs/dbraw/zinc/83/84/08/566838408.db2.gz FJLQSOFZIVBLFE-FQEVSTJZSA-N 0 1 388.308 3.296 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655721368 566838793 /nfs/dbraw/zinc/83/87/93/566838793.db2.gz OBIWNTXWIYZQMJ-GXTWGEPZSA-N 0 1 393.329 3.336 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)n1 ZINC000562970679 566838815 /nfs/dbraw/zinc/83/88/15/566838815.db2.gz MICSPGWOPAZPPW-UHFFFAOYSA-N 0 1 396.866 3.341 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000542935877 566838998 /nfs/dbraw/zinc/83/89/98/566838998.db2.gz CMWZAWRETGOQJX-UHFFFAOYSA-N 0 1 380.422 3.331 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CN1C1CC1 ZINC000428407796 566839781 /nfs/dbraw/zinc/83/97/81/566839781.db2.gz ZROASMPOSWBECC-ZJUUUORDSA-N 0 1 393.734 3.006 20 0 GGADMN O[C@@H](COCC(F)(F)F)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562734 566839872 /nfs/dbraw/zinc/83/98/72/566839872.db2.gz CZWHOELXECBFNL-TZMCWYRMSA-N 0 1 382.220 3.178 20 0 GGADMN O[C@@H](COCC(F)(F)F)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562734 566839877 /nfs/dbraw/zinc/83/98/77/566839877.db2.gz CZWHOELXECBFNL-TZMCWYRMSA-N 0 1 382.220 3.178 20 0 GGADMN CC(C)Cn1cc(CNCc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000542922856 566839895 /nfs/dbraw/zinc/83/98/95/566839895.db2.gz NIQGZOAPFZUQAR-UHFFFAOYSA-N 0 1 380.286 3.363 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccs1 ZINC000517690860 566840126 /nfs/dbraw/zinc/84/01/26/566840126.db2.gz SXEZCGZERNKIGS-LBPRGKRZSA-N 0 1 397.371 3.099 20 0 GGADMN Fc1ccc(C[NH+]2CCC(N=c3[n-]c(C(F)(F)F)ns3)CC2)cc1F ZINC000470028397 566840801 /nfs/dbraw/zinc/84/08/01/566840801.db2.gz KEXQZGNOAYJILF-UHFFFAOYSA-N 0 1 378.370 3.334 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c(F)c1 ZINC000679201428 566840785 /nfs/dbraw/zinc/84/07/85/566840785.db2.gz XQGIFAVBJJFPQI-ZDUSSCGKSA-N 0 1 384.395 3.430 20 0 GGADMN CSc1cc(O)ccc1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000490257312 566840803 /nfs/dbraw/zinc/84/08/03/566840803.db2.gz TYTOEHLMACNURY-UHFFFAOYSA-N 0 1 398.531 3.212 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000490257160 566840986 /nfs/dbraw/zinc/84/09/86/566840986.db2.gz XFIWZQOAZNPWRF-WOSRLPQWSA-N 0 1 383.355 3.482 20 0 GGADMN COc1cccc2c1CCN(C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000542946430 566841098 /nfs/dbraw/zinc/84/10/98/566841098.db2.gz NBKWTYVHQFKTBC-MRXNPFEDSA-N 0 1 392.293 3.256 20 0 GGADMN O[C@H](COCc1ccco1)CN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570350 566841286 /nfs/dbraw/zinc/84/12/86/566841286.db2.gz PUUAXZZOWJFFMS-RDJZCZTQSA-N 0 1 380.282 3.409 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@H](C)C(=O)NC(C)(C)C ZINC000655721868 566841582 /nfs/dbraw/zinc/84/15/82/566841582.db2.gz SEZOUPWMWONZEU-CYBMUJFWSA-N 0 1 393.329 3.336 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000517714752 566842004 /nfs/dbraw/zinc/84/20/04/566842004.db2.gz XEXAKZBNWZFRDH-WMLDXEAASA-N 0 1 380.330 3.018 20 0 GGADMN COc1cccc2c1CCN(C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000542946429 566842015 /nfs/dbraw/zinc/84/20/15/566842015.db2.gz NBKWTYVHQFKTBC-INIZCTEOSA-N 0 1 392.293 3.256 20 0 GGADMN O[C@H](CN[C@@H]1COCc2ccccc21)COc1cc(F)cc(Br)c1 ZINC000562996828 566842273 /nfs/dbraw/zinc/84/22/73/566842273.db2.gz HSDBEEAADVIIRC-CRAIPNDOSA-N 0 1 396.256 3.189 20 0 GGADMN C[C@@H](CO)N1CCCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000470061459 566842420 /nfs/dbraw/zinc/84/24/20/566842420.db2.gz JLRKDFLEPWYOEL-AWEZNQCLSA-N 0 1 385.335 3.330 20 0 GGADMN C[C@H](CO)N1CCCN(C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000470065903 566843300 /nfs/dbraw/zinc/84/33/00/566843300.db2.gz JWDFUYUMMUTEJC-OLZOCXBDSA-N 0 1 391.364 3.389 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNCc2cccc(C)c2Br)c1 ZINC000563003501 566843264 /nfs/dbraw/zinc/84/32/64/566843264.db2.gz UMGXSTHZPMDEGG-QGZVFWFLSA-N 0 1 392.293 3.490 20 0 GGADMN Cc1cc(Br)cc2c(C(=O)N3CCCN([C@@H](C)CO)CC3)coc21 ZINC000470072397 566843655 /nfs/dbraw/zinc/84/36/55/566843655.db2.gz LLBLVIDMYLNRTR-ZDUSSCGKSA-N 0 1 395.297 3.032 20 0 GGADMN C[C@@](O)(CNCc1ccc(I)c(Cl)c1)C(F)(F)F ZINC000563010628 566844193 /nfs/dbraw/zinc/84/41/93/566844193.db2.gz HWTJXGFWISINKO-SNVBAGLBSA-N 0 1 393.574 3.348 20 0 GGADMN CCc1nc([C@@H](C)NCc2cn(-c3cccc(Br)c3)nc2C)n[nH]1 ZINC000655753797 566844511 /nfs/dbraw/zinc/84/45/11/566844511.db2.gz FKSNNDVEUDLAOB-GFCCVEGCSA-N 0 1 389.301 3.475 20 0 GGADMN C[C@H](NS(=O)(=O)c1cscc1Br)c1nc(C(C)(C)C)no1 ZINC000632049834 566844974 /nfs/dbraw/zinc/84/49/74/566844974.db2.gz RSCRGVHANVQXNM-ZETCQYMHSA-N 0 1 394.316 3.231 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3cncnc3C)C2=O)ccc1Br ZINC000655754865 566845084 /nfs/dbraw/zinc/84/50/84/566845084.db2.gz KPTMETXDWSBFIT-SUMWQHHRSA-N 0 1 389.297 3.312 20 0 GGADMN C[S@](=O)c1ccc(CNCc2cnc3ccc(Br)cn23)cc1 ZINC000610575240 566845591 /nfs/dbraw/zinc/84/55/91/566845591.db2.gz QDAVGNYOKPOJMX-QFIPXVFZSA-N 0 1 378.295 3.124 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H](C)C(=O)N1CCCC1 ZINC000655769545 566846643 /nfs/dbraw/zinc/84/66/43/566846643.db2.gz KDUMXAMPWGHIMG-AWEZNQCLSA-N 0 1 391.313 3.044 20 0 GGADMN CC(C)(CO)N1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000679316811 566846778 /nfs/dbraw/zinc/84/67/78/566846778.db2.gz ANGGVCNXXSHRHY-UHFFFAOYSA-N 0 1 389.323 3.068 20 0 GGADMN OC[C@H]([C@@H](NCc1nc(-c2ccc(Br)s2)no1)C1CC1)C1CC1 ZINC000451593326 566846798 /nfs/dbraw/zinc/84/67/98/566846798.db2.gz ATRUNNVSFLRJDW-NHYWBVRUSA-N 0 1 398.326 3.447 20 0 GGADMN COc1ccsc1CN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000428484553 566847243 /nfs/dbraw/zinc/84/72/43/566847243.db2.gz PBTNWPGLTUDKPS-AWEZNQCLSA-N 0 1 380.535 3.490 20 0 GGADMN COC[C@H](NCc1cn(-c2cccc(Br)c2)nc1C)[C@H]1CCCO1 ZINC000655769160 566847865 /nfs/dbraw/zinc/84/78/65/566847865.db2.gz WQXPWTXEJQLANK-ZWKOTPCHSA-N 0 1 394.313 3.227 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000563033604 566847828 /nfs/dbraw/zinc/84/78/28/566847828.db2.gz OKGAIMOBRNCKKF-VIFPVBQESA-N 0 1 396.264 3.014 20 0 GGADMN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1c[nH]nn1)CCCC2 ZINC000490394394 566847933 /nfs/dbraw/zinc/84/79/33/566847933.db2.gz KFKOYHOTLKPRIB-VIFPVBQESA-N 0 1 380.495 3.041 20 0 GGADMN CCc1nc(CNC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)n[nH]1 ZINC000563051268 566848460 /nfs/dbraw/zinc/84/84/60/566848460.db2.gz MSRINKOMBHZSNC-OAHLLOKOSA-N 0 1 396.264 3.219 20 0 GGADMN CCc1nc(CNC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)n[nH]1 ZINC000563051267 566848815 /nfs/dbraw/zinc/84/88/15/566848815.db2.gz MSRINKOMBHZSNC-HNNXBMFYSA-N 0 1 396.264 3.219 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)N(C)C1CC1 ZINC000490425338 566848833 /nfs/dbraw/zinc/84/88/33/566848833.db2.gz KWFUESOAUWJONE-CYBMUJFWSA-N 0 1 386.945 3.280 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000490416196 566849027 /nfs/dbraw/zinc/84/90/27/566849027.db2.gz BSYKNMCHXSYXGN-ZDUSSCGKSA-N 0 1 376.444 3.200 20 0 GGADMN Brc1cccc2c1OCCC[C@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655799049 566849532 /nfs/dbraw/zinc/84/95/32/566849532.db2.gz ZLHGVLDJFTYQCQ-KGLIPLIRSA-N 0 1 393.285 3.422 20 0 GGADMN COC(=O)CCC1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000610652353 566849885 /nfs/dbraw/zinc/84/98/85/566849885.db2.gz IULVMUFQHXVTDW-UHFFFAOYSA-N 0 1 380.286 3.262 20 0 GGADMN Cc1cc(Br)cn2c(CN[C@@H]3CCc4ccccc4NC3=O)cnc12 ZINC000655811898 566851520 /nfs/dbraw/zinc/85/15/20/566851520.db2.gz KYFJOXQIBINTMJ-QGZVFWFLSA-N 0 1 399.292 3.448 20 0 GGADMN COC(=O)[C@](C)(CNCc1cc(O)ccc1Br)c1ccccc1 ZINC000470154568 566851587 /nfs/dbraw/zinc/85/15/87/566851587.db2.gz IQHVVBMLCYOGGC-GOSISDBHSA-N 0 1 378.266 3.375 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000490443931 566851999 /nfs/dbraw/zinc/85/19/99/566851999.db2.gz VZGWRBRRSSWIBD-GFCCVEGCSA-N 0 1 377.337 3.488 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000490442434 566852028 /nfs/dbraw/zinc/85/20/28/566852028.db2.gz SJSQAAXBPOLMFN-LBPRGKRZSA-N 0 1 377.337 3.488 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCC2(CO)CC2)c2ccc(Cl)cc2)c1 ZINC000679345496 566851972 /nfs/dbraw/zinc/85/19/72/566851972.db2.gz UKTSOQFEDOQZDK-GOSISDBHSA-N 0 1 379.909 3.195 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(Br)c(C)cc2C)C1 ZINC000451617882 566852116 /nfs/dbraw/zinc/85/21/16/566852116.db2.gz YMMDMBYIRDKXHX-DOMZBBRYSA-N 0 1 393.285 3.095 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000490442433 566852110 /nfs/dbraw/zinc/85/21/10/566852110.db2.gz SJSQAAXBPOLMFN-GFCCVEGCSA-N 0 1 377.337 3.488 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)cc1Br ZINC000655799074 566852208 /nfs/dbraw/zinc/85/22/08/566852208.db2.gz ZUWXFQHNCICGBF-YGRLFVJLSA-N 0 1 381.274 3.278 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000655814731 566852225 /nfs/dbraw/zinc/85/22/25/566852225.db2.gz PDVLFHWMWWQAHI-OAHLLOKOSA-N 0 1 389.249 3.221 20 0 GGADMN Cc1cc(Br)cn2c(CN[C@H]3CCc4ccccc4NC3=O)cnc12 ZINC000655811896 566852363 /nfs/dbraw/zinc/85/23/63/566852363.db2.gz KYFJOXQIBINTMJ-KRWDZBQOSA-N 0 1 399.292 3.448 20 0 GGADMN CC(C)C[C@@H]1C[C@H](NC(=O)[C@](C)(N)c2ccc(Br)cc2)CCO1 ZINC000563086933 566852495 /nfs/dbraw/zinc/85/24/95/566852495.db2.gz WLZAINAURXUMFD-JFIYKMOQSA-N 0 1 383.330 3.333 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000490444347 566852852 /nfs/dbraw/zinc/85/28/52/566852852.db2.gz XBUJENVLYDJNEJ-GFCCVEGCSA-N 0 1 377.337 3.488 20 0 GGADMN COc1cc(C)cc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000563090201 566853007 /nfs/dbraw/zinc/85/30/07/566853007.db2.gz KAJQYDRVJADUMX-GOSISDBHSA-N 0 1 377.282 3.256 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(I)cc2)c(C)n1 ZINC000610673491 566853093 /nfs/dbraw/zinc/85/30/93/566853093.db2.gz YHRYQBTZQXIAFF-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1Cl ZINC000428536081 566853050 /nfs/dbraw/zinc/85/30/50/566853050.db2.gz IMHUEXLAWMUBHI-UHFFFAOYSA-N 0 1 381.910 3.485 20 0 GGADMN C[C@H](Cc1ccccn1)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000655834896 566853403 /nfs/dbraw/zinc/85/34/03/566853403.db2.gz SNBMTMMXCLPXNM-MNOVXSKESA-N 0 1 388.320 3.318 20 0 GGADMN Cc1nc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)sc1C(F)(F)F ZINC000582372744 566854818 /nfs/dbraw/zinc/85/48/18/566854818.db2.gz NLFSDPLPFCQLLG-UWVGGRQHSA-N 0 1 380.436 3.091 20 0 GGADMN COc1cccc(N2C[C@@H](N[C@@H](C)c3cncc(Br)c3)CC2=O)c1 ZINC000517966057 566856611 /nfs/dbraw/zinc/85/66/11/566856611.db2.gz UNEQUGRRMYNDEC-WFASDCNBSA-N 0 1 390.281 3.309 20 0 GGADMN CC(C)c1nc(S(=O)(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c[nH]1 ZINC000679476231 566858286 /nfs/dbraw/zinc/85/82/86/566858286.db2.gz IJEWWCHXGPIVIS-GFCCVEGCSA-N 0 1 383.342 3.393 20 0 GGADMN CCOC(=O)COc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000543161186 566858902 /nfs/dbraw/zinc/85/89/02/566858902.db2.gz GUCNEPXLPLCYRR-UHFFFAOYSA-N 0 1 383.853 3.391 20 0 GGADMN CCC(C)(C)N1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000655907796 566859592 /nfs/dbraw/zinc/85/95/92/566859592.db2.gz LIBBUMVZHWLXJH-UHFFFAOYSA-N 0 1 381.318 3.063 20 0 GGADMN CC(=O)NC1CCC(N(C)Cc2cc3c(cc2Br)OCO3)CC1 ZINC000543175031 566859610 /nfs/dbraw/zinc/85/96/10/566859610.db2.gz XYSPGNWRBZBYQZ-UHFFFAOYSA-N 0 1 383.286 3.057 20 0 GGADMN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(Br)c1O ZINC000518030785 566861117 /nfs/dbraw/zinc/86/11/17/566861117.db2.gz UPBNRFJVSMBKIB-UHFFFAOYSA-N 0 1 378.222 3.198 20 0 GGADMN O=C(c1[nH]nc2ccc(I)cc21)N1CCCC12CCC2 ZINC000470308827 566861462 /nfs/dbraw/zinc/86/14/62/566861462.db2.gz PYWODZSVYMZTIC-UHFFFAOYSA-N 0 1 381.217 3.326 20 0 GGADMN Cc1cc(CNC(=O)Nc2ccc(Cl)cc2I)n[nH]1 ZINC000610768186 566861339 /nfs/dbraw/zinc/86/13/39/566861339.db2.gz ZUQVIWFXXDBIFI-UHFFFAOYSA-N 0 1 390.612 3.298 20 0 GGADMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1cccc(Br)c1Cl ZINC000679545764 566862083 /nfs/dbraw/zinc/86/20/83/566862083.db2.gz QJPHRNRQKGXZQO-ZDUSSCGKSA-N 0 1 392.644 3.135 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2ccc3cncc(Br)c3n2)n[nH]1 ZINC000632198661 566862069 /nfs/dbraw/zinc/86/20/69/566862069.db2.gz KLDANINBUPZKNY-VIFPVBQESA-N 0 1 389.257 3.125 20 0 GGADMN CN(Cc1cnc[nH]1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000582431578 566862290 /nfs/dbraw/zinc/86/22/90/566862290.db2.gz JMADJBKAMVXBIL-UHFFFAOYSA-N 0 1 398.204 3.012 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1occc1CSc1ccccc1 ZINC000490546012 566862790 /nfs/dbraw/zinc/86/27/90/566862790.db2.gz QIXDFCVVCLRBKP-UHFFFAOYSA-N 0 1 376.463 3.027 20 0 GGADMN O=S(=O)(NCC(F)(F)C(F)F)c1cc(Cl)ccc1Br ZINC000582458869 566863089 /nfs/dbraw/zinc/86/30/89/566863089.db2.gz ILRJXWBVUQJCMA-UHFFFAOYSA-N 0 1 384.576 3.281 20 0 GGADMN Cc1cc(NC(=O)CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)ccc1Br ZINC000451691529 566863369 /nfs/dbraw/zinc/86/33/69/566863369.db2.gz CLOJCIUALPYJHW-FMKPAKJESA-N 0 1 381.314 3.179 20 0 GGADMN COc1ccc(OCCCNC(=O)c2cccc(Br)c2O)cc1 ZINC000518048847 566863872 /nfs/dbraw/zinc/86/38/72/566863872.db2.gz VEYAAKKZGWJEFE-UHFFFAOYSA-N 0 1 380.238 3.362 20 0 GGADMN Cc1cc(NC(=O)CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)ccc1Br ZINC000451691535 566864018 /nfs/dbraw/zinc/86/40/18/566864018.db2.gz CLOJCIUALPYJHW-YCPHGPKFSA-N 0 1 381.314 3.179 20 0 GGADMN C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1OCCc2sccc21 ZINC000490551986 566864337 /nfs/dbraw/zinc/86/43/37/566864337.db2.gz SPNDIMCFMZUSGT-XLKFXECMSA-N 0 1 377.409 3.146 20 0 GGADMN O=C(NCCc1c[nH]c2cccc(Br)c12)NCCN1CC=CCC1 ZINC000582460231 566864554 /nfs/dbraw/zinc/86/45/54/566864554.db2.gz DNPFXYFCLOXVBV-UHFFFAOYSA-N 0 1 391.313 3.034 20 0 GGADMN CCOC(=O)c1ccc(N2CC(NCc3cc(Br)cs3)C2)nc1 ZINC000543239743 566864518 /nfs/dbraw/zinc/86/45/18/566864518.db2.gz VUZQFLDGMREXLM-UHFFFAOYSA-N 0 1 396.310 3.061 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@@H]2C1 ZINC000451701222 566864685 /nfs/dbraw/zinc/86/46/85/566864685.db2.gz GZYKNVPFGATOPU-VNHYZAJKSA-N 0 1 382.298 3.203 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]2C1 ZINC000451701671 566866088 /nfs/dbraw/zinc/86/60/88/566866088.db2.gz HSEFZPOFLGBNTG-XNRPHZJLSA-N 0 1 392.297 3.482 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]2C1 ZINC000451711334 566867013 /nfs/dbraw/zinc/86/70/13/566867013.db2.gz PQQHIDVFMLTRPL-QJPTWQEYSA-N 0 1 382.258 3.075 20 0 GGADMN O=C([O-])[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000582492345 566867585 /nfs/dbraw/zinc/86/75/85/566867585.db2.gz VIWPQSPIKOETLR-ZBFHGGJFSA-N 0 1 386.261 3.290 20 0 GGADMN COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Br)c1OC ZINC000451706174 566867719 /nfs/dbraw/zinc/86/77/19/566867719.db2.gz LORGFWQMHKLOBA-UMVBOHGHSA-N 0 1 384.314 3.449 20 0 GGADMN CC[C@@H]1CN(CC)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000451725811 566870799 /nfs/dbraw/zinc/87/07/99/566870799.db2.gz PIEKXZUJJBZRJD-CYBMUJFWSA-N 0 1 379.302 3.415 20 0 GGADMN C[N@@H+](CC1(c2ccc(Br)cc2)CC1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000563281672 566871195 /nfs/dbraw/zinc/87/11/95/566871195.db2.gz BWQUIPBNARRKPN-UHFFFAOYSA-N 0 1 396.325 3.418 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1C[C@H](C)O ZINC000543334085 566871778 /nfs/dbraw/zinc/87/17/78/566871778.db2.gz BLCDMYZUCIUNKF-JQWIXIFHSA-N 0 1 380.341 3.042 20 0 GGADMN COc1cc(Br)ccc1CCCNC(=O)c1[nH]nc2c1CCC2 ZINC000543343622 566871825 /nfs/dbraw/zinc/87/18/25/566871825.db2.gz SHOCMFMLZZWYRD-UHFFFAOYSA-N 0 1 378.270 3.032 20 0 GGADMN CN(CC(=O)NCCc1c[nH]c2ccc(Br)cc12)[C@H]1CCSC1 ZINC000543352677 566871917 /nfs/dbraw/zinc/87/19/17/566871917.db2.gz VCICNUOOCVINQQ-AWEZNQCLSA-N 0 1 396.354 3.026 20 0 GGADMN CC[C@H]1CN(CC)CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000451731588 566872012 /nfs/dbraw/zinc/87/20/12/566872012.db2.gz RNODFADAEYHYSV-ZDUSSCGKSA-N 0 1 388.737 3.457 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)NCc3n[nH]c(C(C)(C)C)n3)s2)cs1 ZINC000582535395 566872575 /nfs/dbraw/zinc/87/25/75/566872575.db2.gz XFRLMIWUHICTAH-UHFFFAOYSA-N 0 1 397.551 3.074 20 0 GGADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000563288625 566872499 /nfs/dbraw/zinc/87/24/99/566872499.db2.gz IKTFYXCEZFICOM-DYVFJYSZSA-N 0 1 376.280 3.166 20 0 GGADMN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc2[nH]nnc2c1 ZINC000543355833 566872592 /nfs/dbraw/zinc/87/25/92/566872592.db2.gz AYYBTXKPXHXCQX-UHFFFAOYSA-N 0 1 384.237 3.174 20 0 GGADMN CCOC1(C)CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000428706447 566872939 /nfs/dbraw/zinc/87/29/39/566872939.db2.gz DPWAPNDUZLJIJE-MRXNPFEDSA-N 0 1 381.314 3.445 20 0 GGADMN Cc1nccn1CCCC[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC000563289369 566873150 /nfs/dbraw/zinc/87/31/50/566873150.db2.gz SMRKXYIGPYEVBQ-UHFFFAOYSA-N 0 1 380.286 3.321 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2Br)CC1 ZINC000428750766 566873513 /nfs/dbraw/zinc/87/35/13/566873513.db2.gz QHEUIKHLRSIBHO-WBVHZDCISA-N 0 1 382.298 3.239 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000632316316 566874703 /nfs/dbraw/zinc/87/47/03/566874703.db2.gz ZBQNRFQJYFEYBD-UHFFFAOYSA-N 0 1 390.328 3.110 20 0 GGADMN COc1ccc(Br)c(CNC(=O)c2cc(F)cc3nc[nH]c32)c1 ZINC000518280795 566874966 /nfs/dbraw/zinc/87/49/66/566874966.db2.gz CIZGCLKBKUXVCC-UHFFFAOYSA-N 0 1 378.201 3.403 20 0 GGADMN COc1ccccc1[C@@H](CO)NC[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679825298 566875045 /nfs/dbraw/zinc/87/50/45/566875045.db2.gz BNSMZGGYSMMANI-SJKOYZFVSA-N 0 1 386.275 3.065 20 0 GGADMN COc1ccc(CCNS(=O)(=O)c2c(F)cccc2F)c(Cl)c1OC ZINC000563311108 566875073 /nfs/dbraw/zinc/87/50/73/566875073.db2.gz RJDSQSSNDIOWBU-UHFFFAOYSA-N 0 1 391.823 3.156 20 0 GGADMN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1n[nH]c2ccccc21 ZINC000470457165 566875177 /nfs/dbraw/zinc/87/51/77/566875177.db2.gz YPGXUTPOBFFVJV-CYBMUJFWSA-N 0 1 385.265 3.334 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 ZINC000428770776 566875990 /nfs/dbraw/zinc/87/59/90/566875990.db2.gz GIPFKOCLFMFCOT-ZBEGNZNMSA-N 0 1 381.245 3.238 20 0 GGADMN CN(CCSc1cc(Cl)ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428768193 566876048 /nfs/dbraw/zinc/87/60/48/566876048.db2.gz AJBJXIVOVLCJHV-LBPRGKRZSA-N 0 1 383.366 3.051 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CSc1nncn1-c1cccc(Cl)c1 ZINC000518295883 566876019 /nfs/dbraw/zinc/87/60/19/566876019.db2.gz AULQTMGTWZZKHH-UHFFFAOYSA-N 0 1 377.857 3.421 20 0 GGADMN CC(C)(CO)[C@@H](NCc1ncc(Br)cc1Br)C1CC1 ZINC000582577934 566876147 /nfs/dbraw/zinc/87/61/47/566876147.db2.gz FTIFKGIVBBTRTG-ZDUSSCGKSA-N 0 1 392.135 3.493 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1ccc(I)cc1 ZINC000610968633 566876787 /nfs/dbraw/zinc/87/67/87/566876787.db2.gz YQBAQBKVKZBRSF-UHFFFAOYSA-N 0 1 379.244 3.462 20 0 GGADMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cncc(Br)c2)C1 ZINC000428788538 566876956 /nfs/dbraw/zinc/87/69/56/566876956.db2.gz WFVXWHLXRFPJGR-SFHVURJKSA-N 0 1 375.266 3.161 20 0 GGADMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2cncc(Br)c2)C1 ZINC000428788536 566877996 /nfs/dbraw/zinc/87/79/96/566877996.db2.gz WFVXWHLXRFPJGR-GOSISDBHSA-N 0 1 375.266 3.161 20 0 GGADMN CC1(C)[C@H](O)C[C@@H]1NCc1coc(-c2ccc(I)cc2)n1 ZINC000563361975 566878463 /nfs/dbraw/zinc/87/84/63/566878463.db2.gz VWNVNBUKKGLJPH-UONOGXRCSA-N 0 1 398.244 3.195 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000470498131 566879105 /nfs/dbraw/zinc/87/91/05/566879105.db2.gz PUDVIFKBNXXTKN-OAHLLOKOSA-N 0 1 382.957 3.285 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NC1CCC(C)CC1 ZINC000428792613 566879315 /nfs/dbraw/zinc/87/93/15/566879315.db2.gz HWMKOAHJPNEOTM-YHVOSOIQSA-N 0 1 383.330 3.156 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCc2c1cc(Br)cc2F ZINC000543425703 566880107 /nfs/dbraw/zinc/88/01/07/566880107.db2.gz DGRVNQBKCBQKDI-IAQYHMDHSA-N 0 1 376.291 3.132 20 0 GGADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000632394124 566880506 /nfs/dbraw/zinc/88/05/06/566880506.db2.gz JCNJRINWLKEOLB-SECBINFHSA-N 0 1 381.807 3.300 20 0 GGADMN C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H](CO)CC(C)(C)C ZINC000451779316 566880741 /nfs/dbraw/zinc/88/07/41/566880741.db2.gz LJGKBBRQKMLDAX-NSHDSACASA-N 0 1 393.272 3.395 20 0 GGADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H](CO)CC(C)(C)C ZINC000451779316 566880746 /nfs/dbraw/zinc/88/07/46/566880746.db2.gz LJGKBBRQKMLDAX-NSHDSACASA-N 0 1 393.272 3.395 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000428814397 566880835 /nfs/dbraw/zinc/88/08/35/566880835.db2.gz CYLTYWOMEZGBFO-KSSFIOAISA-N 0 1 391.309 3.085 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1F)[C@@H](CO)CC(C)(C)C ZINC000451783681 566881114 /nfs/dbraw/zinc/88/11/14/566881114.db2.gz SMBUHSKBLCYWDD-GFCCVEGCSA-N 0 1 375.282 3.256 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NCCC1=CCCCC1 ZINC000428814859 566881189 /nfs/dbraw/zinc/88/11/89/566881189.db2.gz FBABGQMEICYLLL-KSSFIOAISA-N 0 1 395.341 3.467 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000428814395 566881281 /nfs/dbraw/zinc/88/12/81/566881281.db2.gz CYLTYWOMEZGBFO-KBXCAEBGSA-N 0 1 391.309 3.085 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000428802469 566881389 /nfs/dbraw/zinc/88/13/89/566881389.db2.gz JRWCCODSAPAXKK-AYMSOESYSA-N 0 1 397.357 3.402 20 0 GGADMN CCNC(=O)c1ccc(=N[C@H]2c3cc(Br)ccc3CC2(C)C)[nH]n1 ZINC000582641718 566883069 /nfs/dbraw/zinc/88/30/69/566883069.db2.gz ABIDRSWXQZLLLL-INIZCTEOSA-N 0 1 389.297 3.146 20 0 GGADMN Fc1ccc(Cc2noc(CCCCc3cn[nH]n3)n2)cc1Br ZINC000518436476 566883821 /nfs/dbraw/zinc/88/38/21/566883821.db2.gz ILEVXSPTQYXMGL-UHFFFAOYSA-N 0 1 380.221 3.246 20 0 GGADMN Fc1ccc(Br)c2nccc(NCc3n[nH]c([C@H]4CCCO4)n3)c12 ZINC000656209319 566885148 /nfs/dbraw/zinc/88/51/48/566885148.db2.gz SJERGGRZPXTCJN-GFCCVEGCSA-N 0 1 392.232 3.140 20 0 GGADMN O=C(CCc1c[nH]nn1)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000632444066 566885221 /nfs/dbraw/zinc/88/52/21/566885221.db2.gz MSYRXOYOLVHYFE-LBPRGKRZSA-N 0 1 391.191 3.310 20 0 GGADMN O=C(CCc1cnn[nH]1)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000632444066 566885224 /nfs/dbraw/zinc/88/52/24/566885224.db2.gz MSYRXOYOLVHYFE-LBPRGKRZSA-N 0 1 391.191 3.310 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000563456219 566885550 /nfs/dbraw/zinc/88/55/50/566885550.db2.gz UARILOINXXKAQA-XWUBHJNHSA-N 0 1 376.280 3.307 20 0 GGADMN C[C@H](c1ccccc1)[C@@H](NCC[S@@](=O)c1cc(Cl)ccc1Cl)C(N)=O ZINC000428873620 566885812 /nfs/dbraw/zinc/88/58/12/566885812.db2.gz VKEIJLWMNXOFQS-BXRFGHFPSA-N 0 1 399.343 3.348 20 0 GGADMN C[C@H](c1ccccc1)[C@@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)C(N)=O ZINC000428873622 566885912 /nfs/dbraw/zinc/88/59/12/566885912.db2.gz VKEIJLWMNXOFQS-ZNMXNXGWSA-N 0 1 399.343 3.348 20 0 GGADMN Cc1cc(Br)oc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000518483297 566886336 /nfs/dbraw/zinc/88/63/36/566886336.db2.gz MMFWTRSBIGCNKN-UHFFFAOYSA-N 0 1 379.189 3.205 20 0 GGADMN Cc1cc(Br)oc1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000518483297 566886344 /nfs/dbraw/zinc/88/63/44/566886344.db2.gz MMFWTRSBIGCNKN-UHFFFAOYSA-N 0 1 379.189 3.205 20 0 GGADMN O=C(NCCc1ccc(Cl)s1)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000518488396 566886695 /nfs/dbraw/zinc/88/66/95/566886695.db2.gz XXNVLTXOGAKRKU-UHFFFAOYSA-N 0 1 379.848 3.368 20 0 GGADMN O=C(NCCc1ccc(Cl)s1)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000518488396 566886698 /nfs/dbraw/zinc/88/66/98/566886698.db2.gz XXNVLTXOGAKRKU-UHFFFAOYSA-N 0 1 379.848 3.368 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(Br)ccc1F ZINC000518482566 566886795 /nfs/dbraw/zinc/88/67/95/566886795.db2.gz NBIGWKOUGSROCI-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc(Br)ccc1F ZINC000518482566 566886797 /nfs/dbraw/zinc/88/67/97/566886797.db2.gz NBIGWKOUGSROCI-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN C[C@@]1(NCc2cn(-c3ccccc3Br)nn2)CCO[C@@H]1C1CC1 ZINC000563482003 566887215 /nfs/dbraw/zinc/88/72/15/566887215.db2.gz GGJQTRGKVRGCCF-IAGOWNOFSA-N 0 1 377.286 3.077 20 0 GGADMN C[C@]1(NCc2cn(-c3ccccc3Br)nn2)CCO[C@@H]1C1CC1 ZINC000563482005 566887676 /nfs/dbraw/zinc/88/76/76/566887676.db2.gz GGJQTRGKVRGCCF-SJORKVTESA-N 0 1 377.286 3.077 20 0 GGADMN CCN(Cc1coc(-c2ccc(I)cc2)n1)[C@H](C)CO ZINC000428885366 566887936 /nfs/dbraw/zinc/88/79/36/566887936.db2.gz WRROARQCSFXPHK-LLVKDONJSA-N 0 1 386.233 3.149 20 0 GGADMN O=S(=O)(NC[C@H]1CCCC1(F)F)c1cc(F)c(Br)cc1F ZINC000451821328 566887988 /nfs/dbraw/zinc/88/79/88/566887988.db2.gz GPENDADLZWFWPM-SSDOTTSWSA-N 0 1 390.196 3.441 20 0 GGADMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1nc(C(F)(F)F)no1 ZINC000632479400 566888338 /nfs/dbraw/zinc/88/83/38/566888338.db2.gz CFHHVIORCPZHCW-RXMQYKEDSA-N 0 1 390.170 3.435 20 0 GGADMN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1sccc1Br ZINC000470614641 566888592 /nfs/dbraw/zinc/88/85/92/566888592.db2.gz VWQVFGWZJGARLN-TUAOUCFPSA-N 0 1 395.388 3.155 20 0 GGADMN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1sccc1Br ZINC000470614640 566888650 /nfs/dbraw/zinc/88/86/50/566888650.db2.gz VWQVFGWZJGARLN-IJLUTSLNSA-N 0 1 395.388 3.155 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000563510070 566889251 /nfs/dbraw/zinc/88/92/51/566889251.db2.gz UUPQMONNRIONIV-UHFFFAOYSA-N 0 1 377.235 3.105 20 0 GGADMN NS(=O)(=O)c1cc(Cl)cc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000518542236 566889494 /nfs/dbraw/zinc/88/94/94/566889494.db2.gz NFIBFWKTMCJASJ-KRWDZBQOSA-N 0 1 382.888 3.334 20 0 GGADMN Brc1c[nH]c(-c2nnc(N3CCN4CCCC[C@H]4C3)n2C2CC2)c1 ZINC000582731542 566889414 /nfs/dbraw/zinc/88/94/14/566889414.db2.gz KAPKYLJKJTYNJO-AWEZNQCLSA-N 0 1 391.317 3.045 20 0 GGADMN O=C(CN1CCC([C@@H]2CCOC2)CC1)NCCc1cccc(Cl)c1Cl ZINC000680083613 566889857 /nfs/dbraw/zinc/88/98/57/566889857.db2.gz DCNSUWRKLLGIKG-MRXNPFEDSA-N 0 1 385.335 3.401 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCSC[C@@H]1CCO ZINC000656254186 566889865 /nfs/dbraw/zinc/88/98/65/566889865.db2.gz CVFKJUCWWWLUSU-KRWDZBQOSA-N 0 1 396.354 3.243 20 0 GGADMN NS(=O)(=O)c1cc(Cl)cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000518542237 566890417 /nfs/dbraw/zinc/89/04/17/566890417.db2.gz NFIBFWKTMCJASJ-QGZVFWFLSA-N 0 1 382.888 3.334 20 0 GGADMN CSc1ccc(OC[C@H](O)CNCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000563528974 566890646 /nfs/dbraw/zinc/89/06/46/566890646.db2.gz QVDYLEIPPPAQKQ-OAHLLOKOSA-N 0 1 380.897 3.030 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN1CCSC[C@@H]1CCO ZINC000656254773 566890958 /nfs/dbraw/zinc/89/09/58/566890958.db2.gz JORGYBOGKLFCTD-HNNXBMFYSA-N 0 1 396.354 3.243 20 0 GGADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)s1 ZINC000680090179 566891384 /nfs/dbraw/zinc/89/13/84/566891384.db2.gz LDOHGKBYVZMRKV-LKFCYVNXSA-N 0 1 398.472 3.345 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)c1c(Cl)cccc1Cl ZINC000491065215 566891766 /nfs/dbraw/zinc/89/17/66/566891766.db2.gz JZAMFFBFAXDHKZ-IHRRRGAJSA-N 0 1 388.339 3.193 20 0 GGADMN CSc1ccc(OC[C@@H](O)CNCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000563528973 566891755 /nfs/dbraw/zinc/89/17/55/566891755.db2.gz QVDYLEIPPPAQKQ-HNNXBMFYSA-N 0 1 380.897 3.030 20 0 GGADMN Cc1cc(Br)cc(CN(C)CCN2CCOCC2)c1OC(F)F ZINC000491078024 566892133 /nfs/dbraw/zinc/89/21/33/566892133.db2.gz NIUTVZAOMVRXOP-UHFFFAOYSA-N 0 1 393.272 3.123 20 0 GGADMN O=S(=O)(NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(C(F)F)o1 ZINC000632550021 566893743 /nfs/dbraw/zinc/89/37/43/566893743.db2.gz NGZAZRRWKRFEPD-SNVBAGLBSA-N 0 1 377.331 3.386 20 0 GGADMN CC(C)c1nc(CN2CCN(Cc3cc(Br)ccc3F)CC2)n[nH]1 ZINC000428954894 566893797 /nfs/dbraw/zinc/89/37/97/566893797.db2.gz SVGKUWGTSABBPQ-UHFFFAOYSA-N 0 1 396.308 3.148 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000656259090 566893922 /nfs/dbraw/zinc/89/39/22/566893922.db2.gz XBAYPACGOLODCC-CQSZACIVSA-N 0 1 376.298 3.412 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000470677443 566894328 /nfs/dbraw/zinc/89/43/28/566894328.db2.gz JDKPRFCNFVQNES-NSHDSACASA-N 0 1 375.332 3.430 20 0 GGADMN COC(=O)c1coc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000543629066 566894464 /nfs/dbraw/zinc/89/44/64/566894464.db2.gz FOVHLUOBGQZZAA-CQSZACIVSA-N 0 1 379.254 3.197 20 0 GGADMN CCCCNC(=O)NC(=O)CN(Cc1cccc(Br)c1)C(C)C ZINC000518604766 566894567 /nfs/dbraw/zinc/89/45/67/566894567.db2.gz WCXJQZFOWLNNQJ-UHFFFAOYSA-N 0 1 384.318 3.285 20 0 GGADMN COC(=O)c1coc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000543629065 566894525 /nfs/dbraw/zinc/89/45/25/566894525.db2.gz FOVHLUOBGQZZAA-AWEZNQCLSA-N 0 1 379.254 3.197 20 0 GGADMN Cc1nc(CN2C[C@@H]3CCCCN3c3cc(Br)c(F)cc32)n[nH]1 ZINC000428973429 566895117 /nfs/dbraw/zinc/89/51/17/566895117.db2.gz DCUOLEAURVSHJY-NSHDSACASA-N 0 1 380.265 3.394 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)Nc1cc(Br)ccn1 ZINC000582801390 566895550 /nfs/dbraw/zinc/89/55/50/566895550.db2.gz MHARWGAWIJSWLI-UHFFFAOYSA-N 0 1 391.204 3.090 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)Nc1cc(Br)ccn1 ZINC000582801390 566895554 /nfs/dbraw/zinc/89/55/54/566895554.db2.gz MHARWGAWIJSWLI-UHFFFAOYSA-N 0 1 391.204 3.090 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000491184047 566897297 /nfs/dbraw/zinc/89/72/97/566897297.db2.gz VAKCYRYPMVCMQP-UHFFFAOYSA-N 0 1 392.301 3.198 20 0 GGADMN Cc1cc(I)ccc1NC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000491205777 566897757 /nfs/dbraw/zinc/89/77/57/566897757.db2.gz BBDJNVWUDJZZAT-CYBMUJFWSA-N 0 1 384.261 3.270 20 0 GGADMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000543665263 566898043 /nfs/dbraw/zinc/89/80/43/566898043.db2.gz YJRZAXKNFHFKKP-UHFFFAOYSA-N 0 1 387.244 3.019 20 0 GGADMN CN(C)c1ccnc(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c1 ZINC000680258226 566898418 /nfs/dbraw/zinc/89/84/18/566898418.db2.gz ZGHAOEIXSVELPN-UHFFFAOYSA-N 0 1 387.237 3.416 20 0 GGADMN COC(=O)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429013988 566898564 /nfs/dbraw/zinc/89/85/64/566898564.db2.gz VWUHXCQFRCCHNR-MRXNPFEDSA-N 0 1 382.229 3.198 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253568 566898961 /nfs/dbraw/zinc/89/89/61/566898961.db2.gz HEFREPDCARINQS-SNVBAGLBSA-N 0 1 382.233 3.455 20 0 GGADMN C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000470726877 566899361 /nfs/dbraw/zinc/89/93/61/566899361.db2.gz 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O=C(NCCN1CCCOCC1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000583237371 566931385 /nfs/dbraw/zinc/93/13/85/566931385.db2.gz PLYIYWNACMKDRT-QGZVFWFLSA-N 0 1 386.323 3.466 20 0 GGADMN CC(C)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000471137209 566931631 /nfs/dbraw/zinc/93/16/31/566931631.db2.gz OKKNDQXCKLUQCY-UHFFFAOYSA-N 0 1 376.503 3.274 20 0 GGADMN C[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc(F)cc1F ZINC000656679375 566932470 /nfs/dbraw/zinc/93/24/70/566932470.db2.gz ORRBNPXUYUZEKQ-SNVBAGLBSA-N 0 1 384.224 3.203 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1F ZINC000611682449 566933968 /nfs/dbraw/zinc/93/39/68/566933968.db2.gz SOZVIHVZTMHMJD-INIZCTEOSA-N 0 1 382.229 3.198 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)c1c(Cl)cccc1Cl ZINC000471183338 566934520 /nfs/dbraw/zinc/93/45/20/566934520.db2.gz RKQXCSKGEGLZSB-ZDUSSCGKSA-N 0 1 388.339 3.195 20 0 GGADMN NC(=O)[C@H](NCCc1ccc(F)c(F)c1F)c1ccc(Br)cc1 ZINC000544069394 566934649 /nfs/dbraw/zinc/93/46/49/566934649.db2.gz 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COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000519376454 566936060 /nfs/dbraw/zinc/93/60/60/566936060.db2.gz PZFOAICDXFYGJG-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000471202545 566936627 /nfs/dbraw/zinc/93/66/27/566936627.db2.gz MNCOSUFZMNHANN-OAHLLOKOSA-N 0 1 379.302 3.271 20 0 GGADMN CC(C)Nc1ccc(Br)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000611750620 566936856 /nfs/dbraw/zinc/93/68/56/566936856.db2.gz JLRRGJMYVXSVCF-NSHDSACASA-N 0 1 378.274 3.446 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC000452103608 566937313 /nfs/dbraw/zinc/93/73/13/566937313.db2.gz LARDCVKESCPNPC-GFCCVEGCSA-N 0 1 384.851 3.462 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000471210215 566937454 /nfs/dbraw/zinc/93/74/54/566937454.db2.gz JVYZPWJOMSXWHI-LLVKDONJSA-N 0 1 385.331 3.333 20 0 GGADMN O=C(NC[C@@H](CO)c1ccccc1Cl)c1cccc(Br)c1O ZINC000564026286 566937524 /nfs/dbraw/zinc/93/75/24/566937524.db2.gz FCMFFWSMTPZEFX-JTQLQIEISA-N 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ZINC000656739225 566944054 /nfs/dbraw/zinc/94/40/54/566944054.db2.gz WVXPSICFDSIBCR-UHFFFAOYSA-N 0 1 377.285 3.332 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)cc1Cl ZINC000680969682 566944127 /nfs/dbraw/zinc/94/41/27/566944127.db2.gz UGXCEQCJUNZDOT-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)S1 ZINC000583366867 566944069 /nfs/dbraw/zinc/94/40/69/566944069.db2.gz HDYCYPIEDTZCMS-NXEZZACHSA-N 0 1 383.315 3.361 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)Nc1nc(SC)n[nH]1 ZINC000429646695 566944198 /nfs/dbraw/zinc/94/41/98/566944198.db2.gz AMTQOIMGQZWWAT-UHFFFAOYSA-N 0 1 377.651 3.203 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)S1 ZINC000583366866 566944517 /nfs/dbraw/zinc/94/45/17/566944517.db2.gz HDYCYPIEDTZCMS-AOOOYVTPSA-N 0 1 383.315 3.361 20 0 GGADMN CCN1CCN([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1C ZINC000680985671 566945901 /nfs/dbraw/zinc/94/59/01/566945901.db2.gz MPBDQRPHRGXIRN-YJBOKZPZSA-N 0 1 394.357 3.279 20 0 GGADMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000429698094 566946048 /nfs/dbraw/zinc/94/60/48/566946048.db2.gz BJTBQXDBSJYLHQ-KRWDZBQOSA-N 0 1 392.297 3.132 20 0 GGADMN CSc1n[nH]c(NC(=O)CCCC(=O)c2ccc(Br)cc2)n1 ZINC000493388448 566946833 /nfs/dbraw/zinc/94/68/33/566946833.db2.gz SYQRTSWEAAMFDO-UHFFFAOYSA-N 0 1 383.271 3.281 20 0 GGADMN CC(C)(CO)[C@H](NCC(=O)Nc1ccc(Br)cn1)c1ccccc1 ZINC000429698095 566946893 /nfs/dbraw/zinc/94/68/93/566946893.db2.gz BJTBQXDBSJYLHQ-QGZVFWFLSA-N 0 1 392.297 3.132 20 0 GGADMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000564108653 566947131 /nfs/dbraw/zinc/94/71/31/566947131.db2.gz CZCBHJFQXZQHFP-IAGOWNOFSA-N 0 1 376.243 3.371 20 0 GGADMN CN(C(=O)c1ccc2cncn2c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000564108656 566947179 /nfs/dbraw/zinc/94/71/79/566947179.db2.gz CZCBHJFQXZQHFP-SJORKVTESA-N 0 1 376.243 3.371 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(Cl)cc1Br ZINC000471314337 566947373 /nfs/dbraw/zinc/94/73/73/566947373.db2.gz LLMDHDBLBJQSMR-UHFFFAOYSA-N 0 1 377.629 3.357 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)cc2s1 ZINC000493466675 566947504 /nfs/dbraw/zinc/94/75/04/566947504.db2.gz QRDAWGBUAVMJKD-QWHCGFSZSA-N 0 1 378.567 3.370 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(Cl)cc1 ZINC000583393220 566947814 /nfs/dbraw/zinc/94/78/14/566947814.db2.gz RUBBFENWUWACGZ-RBSFLKMASA-N 0 1 375.847 3.402 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)cc2s1 ZINC000493466676 566947914 /nfs/dbraw/zinc/94/79/14/566947914.db2.gz QRDAWGBUAVMJKD-STQMWFEESA-N 0 1 378.567 3.370 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc4[nH]c(=O)[nH]c43)cc(Cl)c2O1 ZINC000564136798 566948426 /nfs/dbraw/zinc/94/84/26/566948426.db2.gz FHQXDLTVNRJYFJ-QMMMGPOBSA-N 0 1 379.825 3.046 20 0 GGADMN COCc1cccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)c1 ZINC000544201036 566948759 /nfs/dbraw/zinc/94/87/59/566948759.db2.gz YLDXAOTVBMXTKS-UHFFFAOYSA-N 0 1 399.881 3.076 20 0 GGADMN C[C@@H]1CN(C(=O)CSc2cccc(Br)c2)CCN(C2CC2)C1 ZINC000452175628 566949153 /nfs/dbraw/zinc/94/91/53/566949153.db2.gz UEQRIKHUTBYRSK-ZDUSSCGKSA-N 0 1 383.355 3.484 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000519584106 566950034 /nfs/dbraw/zinc/95/00/34/566950034.db2.gz BFVUXNRRHNCGEJ-NSHDSACASA-N 0 1 396.314 3.337 20 0 GGADMN O=S(=O)(NCCN1CCCCCC1)c1cccc(Cl)c1Br ZINC000493573205 566950275 /nfs/dbraw/zinc/95/02/75/566950275.db2.gz OASALDHTMMVUFQ-UHFFFAOYSA-N 0 1 395.750 3.257 20 0 GGADMN C[C@H]1CCCN(CCNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000493577912 566950625 /nfs/dbraw/zinc/95/06/25/566950625.db2.gz YLJJQBISWHHECK-NSHDSACASA-N 0 1 395.750 3.113 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000493602082 566950936 /nfs/dbraw/zinc/95/09/36/566950936.db2.gz ABWFUOJVLCSBGX-OKILXGFUSA-N 0 1 389.323 3.378 20 0 GGADMN CN(CC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[C@H]1CCSC1 ZINC000493561793 566951577 /nfs/dbraw/zinc/95/15/77/566951577.db2.gz GSEIZTQUCWPEJK-NEPJUHHUSA-N 0 1 393.500 3.305 20 0 GGADMN 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/nfs/dbraw/zinc/98/27/35/566982735.db2.gz STBIQVFTPVSTHW-UHFFFAOYSA-N 0 1 395.345 3.388 20 0 GGADMN OCCN(Cc1cccc(F)c1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000494283733 566983418 /nfs/dbraw/zinc/98/34/18/566983418.db2.gz YGOSZYHLVZABRT-INIZCTEOSA-N 0 1 388.266 3.367 20 0 GGADMN CCO[C@H]1COCC[C@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000544706291 566983402 /nfs/dbraw/zinc/98/34/02/566983402.db2.gz PIFFVNOEBKTSSA-ZBFHGGJFSA-N 0 1 380.286 3.123 20 0 GGADMN CCN(Cc1cc(Br)cc(Br)c1OC)[C@H](C)CO ZINC000430107867 566983683 /nfs/dbraw/zinc/98/36/83/566983683.db2.gz UVDOTVSCKSRBHO-SECBINFHSA-N 0 1 381.108 3.423 20 0 GGADMN CCn1c(CNCc2c[nH]c3nccnc23)nc2cc(Br)ccc21 ZINC000564536540 566983713 /nfs/dbraw/zinc/98/37/13/566983713.db2.gz GVOZXYNBUDPEBP-UHFFFAOYSA-N 0 1 385.269 3.331 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3nc(C4CC4)ncc3Br)[nH]c2c1 ZINC000494322212 566986361 /nfs/dbraw/zinc/98/63/61/566986361.db2.gz FWGCGIUGRBEANN-UHFFFAOYSA-N 0 1 386.253 3.231 20 0 GGADMN COCCc1nc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)no1 ZINC000583840605 566986774 /nfs/dbraw/zinc/98/67/74/566986774.db2.gz GWTBBTLUZAMZOK-UHFFFAOYSA-N 0 1 396.270 3.098 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3[nH]nnc3c2)c(Br)c1 ZINC000471922445 566987134 /nfs/dbraw/zinc/98/71/34/566987134.db2.gz YRGVHSFTZWNGPR-JTQLQIEISA-N 0 1 375.226 3.435 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000471929098 566987215 /nfs/dbraw/zinc/98/72/15/566987215.db2.gz KTFPNTWOUKDJBA-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000430133225 566987873 /nfs/dbraw/zinc/98/78/73/566987873.db2.gz YFPZLSFTUOKSEA-IIDMSEBBSA-N 0 1 384.973 3.296 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000430133228 566988221 /nfs/dbraw/zinc/98/82/21/566988221.db2.gz YFPZLSFTUOKSEA-RVKKMQEKSA-N 0 1 384.973 3.296 20 0 GGADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)N1CCN(C)CC1 ZINC000471952778 566988913 /nfs/dbraw/zinc/98/89/13/566988913.db2.gz IOXYPJNAYMJNRE-KBXCAEBGSA-N 0 1 386.367 3.485 20 0 GGADMN Cc1nc(CC(=O)NCC2(c3cccc(Br)c3)CCCC2)n[nH]1 ZINC000612684014 566989245 /nfs/dbraw/zinc/98/92/45/566989245.db2.gz UFIICUFGVKUPHC-UHFFFAOYSA-N 0 1 377.286 3.046 20 0 GGADMN CC[C@@H](C)C[C@H]1NC(=O)N(Cc2nc3cccc(Br)c3[nH]2)C1=O ZINC000564571074 566989453 /nfs/dbraw/zinc/98/94/53/566989453.db2.gz JZAHSFZDLNSAJD-BXKDBHETSA-N 0 1 379.258 3.182 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CN1C1CC1 ZINC000564578631 566989530 /nfs/dbraw/zinc/98/95/30/566989530.db2.gz XMXUBXGYQWPQKQ-PSASIEDQSA-N 0 1 390.698 3.327 20 0 GGADMN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000544750366 566989817 /nfs/dbraw/zinc/98/98/17/566989817.db2.gz OCDWOYWBJOPUMZ-UHFFFAOYSA-N 0 1 389.768 3.030 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1NCCc2ccccc21 ZINC000583872794 566990262 /nfs/dbraw/zinc/99/02/62/566990262.db2.gz GKKWJXDDSSASHH-WBVHZDCISA-N 0 1 391.240 3.025 20 0 GGADMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1NCCc2ccccc21 ZINC000583872791 566990434 /nfs/dbraw/zinc/99/04/34/566990434.db2.gz GKKWJXDDSSASHH-DOTOQJQBSA-N 0 1 391.240 3.025 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000583871738 566990486 /nfs/dbraw/zinc/99/04/86/566990486.db2.gz ZFDBHFZRDOLFFL-GXSJLCMTSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000583871738 566990493 /nfs/dbraw/zinc/99/04/93/566990493.db2.gz ZFDBHFZRDOLFFL-GXSJLCMTSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@]1(CO)CCCN1Cc1coc(-c2ccc(I)cc2)n1 ZINC000544762495 566990707 /nfs/dbraw/zinc/99/07/07/566990707.db2.gz WYNSOIVXNACERB-MRXNPFEDSA-N 0 1 398.244 3.293 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2cc(O)c(OC)cc2Br)[C@H]1C(C)C ZINC000430147526 566991367 /nfs/dbraw/zinc/99/13/67/566991367.db2.gz OUHLWSMWORBFCL-LRDDRELGSA-N 0 1 386.286 3.183 20 0 GGADMN CCOC1(CNCc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000520259040 566994262 /nfs/dbraw/zinc/99/42/62/566994262.db2.gz RAZRXTYHAMQPDK-UHFFFAOYSA-N 0 1 379.302 3.469 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000681617946 566994484 /nfs/dbraw/zinc/99/44/84/566994484.db2.gz YLPZGCFJQAGZNU-DLBZAZTESA-N 0 1 396.329 3.129 20 0 GGADMN CN(C)C[C@@H](NC(=O)CSc1nncs1)c1cccc(C(F)(F)F)c1 ZINC000633777580 566995056 /nfs/dbraw/zinc/99/50/56/566995056.db2.gz ZNMYVYOAIIJRNM-GFCCVEGCSA-N 0 1 390.456 3.068 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1c(F)cc(F)c(F)c1F)c1ccsc1 ZINC000430167863 566995424 /nfs/dbraw/zinc/99/54/24/566995424.db2.gz NBCXDPPGMZIANN-ZDUSSCGKSA-N 0 1 375.391 3.407 20 0 GGADMN CC[C@H](NC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1cc(F)cc(Br)c1 ZINC000583931644 566995546 /nfs/dbraw/zinc/99/55/46/566995546.db2.gz XHPRQUFJZIDODK-HZMBPMFUSA-N 0 1 396.264 3.357 20 0 GGADMN C[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)N(C)C1CC1 ZINC000564652527 566996129 /nfs/dbraw/zinc/99/61/29/566996129.db2.gz BPOUIYOONOZONR-SNVBAGLBSA-N 0 1 395.750 3.005 20 0 GGADMN CC[C@H](NC(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1cc(F)cc(Br)c1 ZINC000583931647 566996146 /nfs/dbraw/zinc/99/61/46/566996146.db2.gz XHPRQUFJZIDODK-YGRLFVJLSA-N 0 1 396.264 3.357 20 0 GGADMN O[C@@H](CN[C@H]1CCOc2c(F)cccc21)COc1ccc(Br)cc1 ZINC000564651369 566996301 /nfs/dbraw/zinc/99/63/01/566996301.db2.gz NAOVYFVQHMQSKF-GUYCJALGSA-N 0 1 396.256 3.441 20 0 GGADMN C[C@H](C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CC1)C(=O)[O-] ZINC000583939816 566996547 /nfs/dbraw/zinc/99/65/47/566996547.db2.gz DPVVDUJTOYLHGB-MRVPVSSYSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Cl)c1Br ZINC000494384384 566997165 /nfs/dbraw/zinc/99/71/65/566997165.db2.gz HPZZPTBUHYCBBZ-LLVKDONJSA-N 0 1 395.750 3.255 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cnc2nccnc2c1 ZINC000544816673 566997697 /nfs/dbraw/zinc/99/76/97/566997697.db2.gz AYUBHJBGUZAVDV-UHFFFAOYSA-N 0 1 379.601 3.399 20 0 GGADMN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cccc(Br)c1O ZINC000520330670 566998079 /nfs/dbraw/zinc/99/80/79/566998079.db2.gz BKXQGTMQXNUYGV-KRWDZBQOSA-N 0 1 384.270 3.493 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CC1)C(=O)[O-] ZINC000583939817 566998174 /nfs/dbraw/zinc/99/81/74/566998174.db2.gz DPVVDUJTOYLHGB-QMMMGPOBSA-N 0 1 386.271 3.246 20 0 GGADMN CSc1cccc(F)c1CN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000564672444 566998140 /nfs/dbraw/zinc/99/81/40/566998140.db2.gz XBEGNSLVZHAFME-QGZVFWFLSA-N 0 1 380.510 3.362 20 0 GGADMN COc1ccccc1CC(=O)N1CCC(NCc2ncc(Cl)s2)CC1 ZINC000472068605 566998197 /nfs/dbraw/zinc/99/81/97/566998197.db2.gz PNDHHQNMUWSJBD-UHFFFAOYSA-N 0 1 379.913 3.128 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3cc(Br)ccc23)[C@H](C)C1 ZINC000583958122 566998357 /nfs/dbraw/zinc/99/83/57/566998357.db2.gz BNMWWSMHPHKDSG-CHWSQXEVSA-N 0 1 378.314 3.414 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)nc1 ZINC000564714670 567000773 /nfs/dbraw/zinc/00/07/73/567000773.db2.gz HTRKGPUWEWNLEP-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN O=C1Nc2ccccc2[C@@]12CCN(CCOc1ccccc1Br)C2 ZINC000681700000 567001831 /nfs/dbraw/zinc/00/18/31/567001831.db2.gz CYYLQRXTXUZOKR-IBGZPJMESA-N 0 1 387.277 3.424 20 0 GGADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(Br)c2F)C1 ZINC000430256225 567002327 /nfs/dbraw/zinc/00/23/27/567002327.db2.gz IKGPFPCZSICOLZ-GOEBONIOSA-N 0 1 377.257 3.416 20 0 GGADMN NC1(c2noc([C@H]3CC(=O)Nc4ccc(Br)cc43)n2)CCCCC1 ZINC000564722525 567002452 /nfs/dbraw/zinc/00/24/52/567002452.db2.gz RUCPSEBSJMFMOA-LBPRGKRZSA-N 0 1 391.269 3.424 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)N2Cc3cccc(Br)c3C2)cn1 ZINC000681746806 567002873 /nfs/dbraw/zinc/00/28/73/567002873.db2.gz WWZVAZDMDCTSIJ-UHFFFAOYSA-N 0 1 386.253 3.212 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CNCc2sccc2Br)cc1 ZINC000520396841 567002980 /nfs/dbraw/zinc/00/29/80/567002980.db2.gz PCCKHBNABUVYEU-LBPRGKRZSA-N 0 1 386.311 3.439 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Br)c(Cl)cc2OC)n[nH]1 ZINC000430268512 567003474 /nfs/dbraw/zinc/00/34/74/567003474.db2.gz JZUAFDJSFSUHGC-SSDOTTSWSA-N 0 1 387.665 3.283 20 0 GGADMN CNC(=O)[C@@]1(C)CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430265820 567003921 /nfs/dbraw/zinc/00/39/21/567003921.db2.gz FUYJOPHXGCEAFU-KRWDZBQOSA-N 0 1 378.270 3.062 20 0 GGADMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(Br)cc3c1OCC3)C2 ZINC000681753553 567003924 /nfs/dbraw/zinc/00/39/24/567003924.db2.gz WDAVMEDFSRRKQX-HXUWFJFHSA-N 0 1 399.288 3.480 20 0 GGADMN CNC(=O)[C@]1(C)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430278508 567005740 /nfs/dbraw/zinc/00/57/40/567005740.db2.gz IVLBGZDNXMGAOG-QGZVFWFLSA-N 0 1 378.270 3.062 20 0 GGADMN CCN(CC)CCS(=O)(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000564761805 567006106 /nfs/dbraw/zinc/00/61/06/567006106.db2.gz ZFIBVLQJPACJCC-MRXNPFEDSA-N 0 1 384.933 3.025 20 0 GGADMN Cc1cc(Br)ccc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000494509653 567006475 /nfs/dbraw/zinc/00/64/75/567006475.db2.gz DFYSZZCCIURGFK-UHFFFAOYSA-N 0 1 376.663 3.189 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000472181122 567006551 /nfs/dbraw/zinc/00/65/51/567006551.db2.gz GVQMMIZUFSBVJO-OLZOCXBDSA-N 0 1 397.957 3.292 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000472181122 567006558 /nfs/dbraw/zinc/00/65/58/567006558.db2.gz GVQMMIZUFSBVJO-OLZOCXBDSA-N 0 1 397.957 3.292 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Br)c(OC)cc2OC)C[C@@H]1C ZINC000681790603 567006967 /nfs/dbraw/zinc/00/69/67/567006967.db2.gz IYPMHMRGRIMKNA-NSHDSACASA-N 0 1 386.290 3.024 20 0 GGADMN O[C@H](CN[C@H]1COCc2ccccc21)COc1cccc(Br)c1 ZINC000564793725 567007320 /nfs/dbraw/zinc/00/73/20/567007320.db2.gz TXCVRVWQSSSYOK-QAPCUYQASA-N 0 1 378.266 3.050 20 0 GGADMN C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)cn1 ZINC000564782413 567007724 /nfs/dbraw/zinc/00/77/24/567007724.db2.gz VYRHVWSDMAHTNR-CQSZACIVSA-N 0 1 397.338 3.500 20 0 GGADMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c2ccc(Br)cc2n1 ZINC000564793274 567008054 /nfs/dbraw/zinc/00/80/54/567008054.db2.gz TVZKLFLQNYQCOD-NSHDSACASA-N 0 1 386.253 3.054 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000584061931 567008957 /nfs/dbraw/zinc/00/89/57/567008957.db2.gz 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567010047 /nfs/dbraw/zinc/01/00/47/567010047.db2.gz LXHQHYNPVRWGDI-UHFFFAOYSA-N 0 1 395.301 3.424 20 0 GGADMN O=C(Cc1ccc(Cl)cc1Cl)N1CCC(n2ncc3c2CNC3)CC1 ZINC000564830887 567011134 /nfs/dbraw/zinc/01/11/34/567011134.db2.gz JGERDMNQPQYJRT-UHFFFAOYSA-N 0 1 379.291 3.199 20 0 GGADMN Cc1nc2ccc(NS(=O)(=O)c3cc(C)c(Br)cc3C)cn2n1 ZINC000430352555 567011426 /nfs/dbraw/zinc/01/14/26/567011426.db2.gz DVBDIXSFLGFFEO-UHFFFAOYSA-N 0 1 395.282 3.218 20 0 GGADMN O=C(NCC1(CO)CC(c2ccccc2)C1)c1cccc(Br)c1O ZINC000584093235 567011635 /nfs/dbraw/zinc/01/16/35/567011635.db2.gz UCDDHYPCVCLAEZ-UHFFFAOYSA-N 0 1 390.277 3.441 20 0 GGADMN CO[C@@H]([C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000584095403 567012318 /nfs/dbraw/zinc/01/23/18/567012318.db2.gz JWBBDVFYCPEWNL-HQQWDMGQSA-N 0 1 388.327 3.071 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc3nc(C)nn3c2)c(Cl)c1Cl ZINC000430355346 567012700 /nfs/dbraw/zinc/01/27/00/567012700.db2.gz GVZCQMFPTFCENZ-UHFFFAOYSA-N 0 1 387.248 3.154 20 0 GGADMN CCOc1cc(CN(C)[C@H](CO)COC(C)C)cc(Br)c1OC ZINC000584140282 567015223 /nfs/dbraw/zinc/01/52/23/567015223.db2.gz BQASNOGFYKXAMK-CQSZACIVSA-N 0 1 390.318 3.074 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Br)cc2)n[nH]1 ZINC000613125011 567015429 /nfs/dbraw/zinc/01/54/29/567015429.db2.gz VUIJNQLPNXOPKW-SNVBAGLBSA-N 0 1 381.274 3.164 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000472296376 567015554 /nfs/dbraw/zinc/01/55/54/567015554.db2.gz JTOMYSOBJMMNPO-UHFFFAOYSA-N 0 1 393.322 3.083 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc3c(ccc(Br)c3C)[nH]2)n[nH]1 ZINC000613124547 567016199 /nfs/dbraw/zinc/01/61/99/567016199.db2.gz SNDFJKZKBNJZPA-SECBINFHSA-N 0 1 376.258 3.410 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2c(Cl)cnn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000613129081 567016291 /nfs/dbraw/zinc/01/62/91/567016291.db2.gz PGOOVTLWIWZXQS-NHYWBVRUSA-N 0 1 385.270 3.289 20 0 GGADMN Cc1c(Cl)cc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)cc1Cl ZINC000520653779 567016900 /nfs/dbraw/zinc/01/69/00/567016900.db2.gz XYMLLYPFJQMMNA-UHFFFAOYSA-N 0 1 384.307 3.327 20 0 GGADMN COc1cc(I)ccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000452786091 567016949 /nfs/dbraw/zinc/01/69/49/567016949.db2.gz PWYBDBWAVQUMPI-GHMZBOCLSA-N 0 1 388.249 3.111 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000472299998 567017221 /nfs/dbraw/zinc/01/72/21/567017221.db2.gz LMVFFJSFADKYPJ-UHFFFAOYSA-N 0 1 396.887 3.436 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)Nc2ccccc2-n2cncn2)c1 ZINC000681961757 567018440 /nfs/dbraw/zinc/01/84/40/567018440.db2.gz DOXDEVMWZXEFIN-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)NC(C)(C)c1ccc(C(C)C)cc1 ZINC000613193942 567019425 /nfs/dbraw/zinc/01/94/25/567019425.db2.gz JMDVJRVOKVILBY-UHFFFAOYSA-N 0 1 382.507 3.267 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3cccc(Br)c3)cc12 ZINC000545121225 567020193 /nfs/dbraw/zinc/02/01/93/567020193.db2.gz GKWIGNATCIMQRB-UHFFFAOYSA-N 0 1 382.239 3.349 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cnc2ncc(Br)cc2c1 ZINC000681996491 567020967 /nfs/dbraw/zinc/02/09/67/567020967.db2.gz YLFKEDHNWPGDJG-UHFFFAOYSA-N 0 1 395.220 3.225 20 0 GGADMN CCCCOC1CCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000564924576 567020917 /nfs/dbraw/zinc/02/09/17/567020917.db2.gz MDNUNBGCMDCIRS-GOSISDBHSA-N 0 1 383.330 3.431 20 0 GGADMN C[C@@H](CN(C)C(=O)[C@@](C)(N)c1ccc(Br)cc1)c1nccs1 ZINC000564941097 567022697 /nfs/dbraw/zinc/02/26/97/567022697.db2.gz ZAEFUOGQABUDKL-ZBEGNZNMSA-N 0 1 382.327 3.342 20 0 GGADMN CN(CC(=O)N1CC[C@@H](c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000452846733 567023201 /nfs/dbraw/zinc/02/32/01/567023201.db2.gz MLLSJVMTZBBXIO-GDBMZVCRSA-N 0 1 383.355 3.202 20 0 GGADMN CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000682017128 567023350 /nfs/dbraw/zinc/02/33/50/567023350.db2.gz MAGHSIZHKWVTRN-CYBMUJFWSA-N 0 1 382.176 3.338 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000430581330 567023510 /nfs/dbraw/zinc/02/35/10/567023510.db2.gz HEDOACFJGBUXFH-DOTOQJQBSA-N 0 1 375.266 3.397 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)NC[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000430592999 567023647 /nfs/dbraw/zinc/02/36/47/567023647.db2.gz RMWULIDDNADOFT-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN CN(CC(=O)N1CC[C@H](c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000452846735 567023959 /nfs/dbraw/zinc/02/39/59/567023959.db2.gz MLLSJVMTZBBXIO-GOEBONIOSA-N 0 1 383.355 3.202 20 0 GGADMN C[C@H]1CN(C(=O)CCCc2cccc(Br)c2)CCN1CC(C)(C)O ZINC000682026003 567024631 /nfs/dbraw/zinc/02/46/31/567024631.db2.gz ARDFMXXSLWXDPS-HNNXBMFYSA-N 0 1 397.357 3.075 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)[C@H]2CCCc3n[nH]nc32)cc1Cl ZINC000613246645 567024844 /nfs/dbraw/zinc/02/48/44/567024844.db2.gz IJEMUMUQCPEUPI-JTQLQIEISA-N 0 1 385.251 3.195 20 0 GGADMN COC(=O)c1cc(CNC[C@H](O)COc2ccc(Cl)cc2Cl)oc1C ZINC000520797272 567025498 /nfs/dbraw/zinc/02/54/98/567025498.db2.gz CQJSVQXTVUEOKZ-LBPRGKRZSA-N 0 1 388.247 3.211 20 0 GGADMN COc1ccc([C@H](C)NC(=O)c2csc(=NC3CC3)[nH]2)cc1Br ZINC000494819236 567025618 /nfs/dbraw/zinc/02/56/18/567025618.db2.gz APQPKRLPOBTZOH-VIFPVBQESA-N 0 1 396.310 3.401 20 0 GGADMN C[N@H+](Cc1cc(Br)ccc1C(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000584296690 567029324 /nfs/dbraw/zinc/02/93/24/567029324.db2.gz DGSHFPAXCJTTFP-AWEZNQCLSA-N 0 1 392.249 3.419 20 0 GGADMN CO[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H]1C ZINC000452878979 567029233 /nfs/dbraw/zinc/02/92/33/567029233.db2.gz MWYQVGAGQNYHSM-MEDUHNTESA-N 0 1 378.270 3.336 20 0 GGADMN Cc1cc(Cc2nnc(N(C)[C@H](C)c3ccccc3Br)n2C)[nH]n1 ZINC000634316716 567029962 /nfs/dbraw/zinc/02/99/62/567029962.db2.gz BNZVQQVJNPUMAS-GFCCVEGCSA-N 0 1 389.301 3.397 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc(C)c1Br ZINC000494863010 567030524 /nfs/dbraw/zinc/03/05/24/567030524.db2.gz GOTSIEXYZBISGH-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Cl)c(Br)cc2OC)n[nH]1 ZINC000565026989 567030631 /nfs/dbraw/zinc/03/06/31/567030631.db2.gz GEQFDVOBFGBUGL-SSDOTTSWSA-N 0 1 387.665 3.283 20 0 GGADMN Cc1cc(Cc2nnc(N3CCc4cc(Cl)cc(Cl)c4C3)n2C)[nH]n1 ZINC000634316990 567031077 /nfs/dbraw/zinc/03/10/77/567031077.db2.gz LERFAOSSTJJISW-UHFFFAOYSA-N 0 1 377.279 3.307 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(Oc3ncccc3C)CC2)c1Br ZINC000565026388 567031491 /nfs/dbraw/zinc/03/14/91/567031491.db2.gz NXCYVCKXRJYBBP-UHFFFAOYSA-N 0 1 393.285 3.122 20 0 GGADMN CCOc1cccc(CCNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000565037386 567033491 /nfs/dbraw/zinc/03/34/91/567033491.db2.gz QHRGGQKKSMVXOA-LJQANCHMSA-N 0 1 391.309 3.381 20 0 GGADMN Cc1cc(N2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000565041577 567033554 /nfs/dbraw/zinc/03/35/54/567033554.db2.gz ODLHZPZHSMRBOG-LSDHHAIUSA-N 0 1 376.254 3.161 20 0 GGADMN CCCOc1c(Br)cc(CN2CC[C@](C)(C(=O)NC)C2)cc1OC ZINC000430767555 567033861 /nfs/dbraw/zinc/03/38/61/567033861.db2.gz JKMUUDWABXVDLG-SFHVURJKSA-N 0 1 399.329 3.205 20 0 GGADMN Brc1ccc(-n2cc(C[N@H+]3CCC[C@H](n4ccnn4)C3)cn2)cc1 ZINC000584347194 567034163 /nfs/dbraw/zinc/03/41/63/567034163.db2.gz KUVOXAHHFKFZGC-KRWDZBQOSA-N 0 1 387.285 3.063 20 0 GGADMN Brc1ccc(-n2cc(CN3CCC[C@H](n4ccnn4)C3)cn2)cc1 ZINC000584347194 567034171 /nfs/dbraw/zinc/03/41/71/567034171.db2.gz KUVOXAHHFKFZGC-KRWDZBQOSA-N 0 1 387.285 3.063 20 0 GGADMN CNC(=O)[C@]1(C)CCN(Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000430767278 567034193 /nfs/dbraw/zinc/03/41/93/567034193.db2.gz VLHCXCRMRURRDZ-MRXNPFEDSA-N 0 1 391.256 3.317 20 0 GGADMN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1F ZINC000682142766 567034969 /nfs/dbraw/zinc/03/49/69/567034969.db2.gz SIGDKXGIOACTMA-LLVKDONJSA-N 0 1 398.276 3.103 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000472577750 567037246 /nfs/dbraw/zinc/03/72/46/567037246.db2.gz CIHPPAXBPUEDFP-HNNXBMFYSA-N 0 1 387.343 3.006 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000565104062 567037837 /nfs/dbraw/zinc/03/78/37/567037837.db2.gz IWSCWOPXXBZTAU-OAHLLOKOSA-N 0 1 377.238 3.498 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000565104062 567037843 /nfs/dbraw/zinc/03/78/43/567037843.db2.gz IWSCWOPXXBZTAU-OAHLLOKOSA-N 0 1 377.238 3.498 20 0 GGADMN O=C([O-])C[N@@H+](CCCCCn1cccn1)Cc1cccc(Br)c1 ZINC000521055790 567038073 /nfs/dbraw/zinc/03/80/73/567038073.db2.gz CNHXYJYRINIANZ-UHFFFAOYSA-N 0 1 380.286 3.403 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000565092601 567038012 /nfs/dbraw/zinc/03/80/12/567038012.db2.gz IBXULWOTQIQLRI-UHFFFAOYSA-N 0 1 390.709 3.023 20 0 GGADMN Cc1noc(C)c1[C@H](C)NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000682219562 567038286 /nfs/dbraw/zinc/03/82/86/567038286.db2.gz RSIXXTMWTGMQHK-XPTSAGLGSA-N 0 1 387.249 3.284 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)Cc2cc(Cl)ccc2F)o1 ZINC000472584218 567038905 /nfs/dbraw/zinc/03/89/05/567038905.db2.gz CMHCKWFSQFOFTN-UHFFFAOYSA-N 0 1 388.892 3.274 20 0 GGADMN Cc1c2cc(C(=O)N=c3ncn(C(C)(C)C)[nH]3)[nH]c2ccc1Br ZINC000613450545 567039179 /nfs/dbraw/zinc/03/91/79/567039179.db2.gz DYCTYPWLIUQIGE-UHFFFAOYSA-N 0 1 376.258 3.260 20 0 GGADMN CC[N@@H+](CCOc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC000565107164 567039716 /nfs/dbraw/zinc/03/97/16/567039716.db2.gz UAKKLMJBSQSLKZ-UHFFFAOYSA-N 0 1 379.254 3.443 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)o1 ZINC000584403067 567039621 /nfs/dbraw/zinc/03/96/21/567039621.db2.gz LMYLFJBWKMSHIP-LLVKDONJSA-N 0 1 395.253 3.336 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000521070965 567039680 /nfs/dbraw/zinc/03/96/80/567039680.db2.gz WFKTUBDFCGGVDV-GVDBMIGSSA-N 0 1 382.298 3.448 20 0 GGADMN Cc1nc(CC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)n[nH]1 ZINC000613487933 567039883 /nfs/dbraw/zinc/03/98/83/567039883.db2.gz GBXZORBOXVUPPL-NSHDSACASA-N 0 1 391.191 3.228 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000584397970 567040101 /nfs/dbraw/zinc/04/01/01/567040101.db2.gz VUSBWEJWNHUYSQ-GFCCVEGCSA-N 0 1 384.270 3.297 20 0 GGADMN COc1cc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)ccn1 ZINC000565112252 567040416 /nfs/dbraw/zinc/04/04/16/567040416.db2.gz RFBRWQCBGXWKFV-UHFFFAOYSA-N 0 1 379.254 3.330 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)o1 ZINC000584403068 567040538 /nfs/dbraw/zinc/04/05/38/567040538.db2.gz LMYLFJBWKMSHIP-NSHDSACASA-N 0 1 395.253 3.336 20 0 GGADMN Cc1nc([C@H](C)[N@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000565111353 567040706 /nfs/dbraw/zinc/04/07/06/567040706.db2.gz YDBAGEFJFRFCBB-QCZZGDTMSA-N 0 1 380.242 3.002 20 0 GGADMN Cc1nc([C@H](C)[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000565111353 567040712 /nfs/dbraw/zinc/04/07/12/567040712.db2.gz YDBAGEFJFRFCBB-QCZZGDTMSA-N 0 1 380.242 3.002 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000565108306 567040924 /nfs/dbraw/zinc/04/09/24/567040924.db2.gz WSQNWFKPZXJVES-INIZCTEOSA-N 0 1 397.313 3.155 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1)N(C)C ZINC000682395985 567041595 /nfs/dbraw/zinc/04/15/95/567041595.db2.gz JRIQUGPCVUOHKS-FZMZJTMJSA-N 0 1 393.285 3.113 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2ccc(Br)c3cc(C)oc32)C1 ZINC000682380253 567041709 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CSCc1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000546782566 567159352 /nfs/dbraw/zinc/15/93/52/567159352.db2.gz WHETVZFGHOTXBB-UHFFFAOYSA-N 0 1 384.866 3.438 20 0 GGADMN O=C(NCCN1CCCOCC1)c1ccc2cc(Br)ccc2c1 ZINC000474318102 567159633 /nfs/dbraw/zinc/15/96/33/567159633.db2.gz YULVFNKFIMLNAA-UHFFFAOYSA-N 0 1 377.282 3.054 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000566449660 567159900 /nfs/dbraw/zinc/15/99/00/567159900.db2.gz ZDSFTGJOJQRTOA-XHDPSFHLSA-N 0 1 378.270 3.333 20 0 GGADMN CC[C@H](C)[C@@](C)(O)CNCc1ncc(Br)cc1Br ZINC000474347759 567160362 /nfs/dbraw/zinc/16/03/62/567160362.db2.gz FTIMNMBOSWKYOW-ZANVPECISA-N 0 1 380.124 3.493 20 0 GGADMN Cc1ccc(C(C)(C)NCc2cc(=O)n3cc(Br)ccc3n2)cn1 ZINC000546811576 567161796 /nfs/dbraw/zinc/16/17/96/567161796.db2.gz STGYPUVOHRAJTG-UHFFFAOYSA-N 0 1 387.281 3.185 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)NCc2cc(Br)ccc2OC)C[C@@H]1C ZINC000498229756 567161825 /nfs/dbraw/zinc/16/18/25/567161825.db2.gz SVXSSBSHJAAOQW-QWHCGFSZSA-N 0 1 384.318 3.082 20 0 GGADMN NC(=O)[C@H]1CCCN1C1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000683934353 567162091 /nfs/dbraw/zinc/16/20/91/567162091.db2.gz KBCDNILDGABUEL-CQSZACIVSA-N 0 1 383.279 3.053 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cccnc2N2CCCC2)cc1Cl ZINC000683935079 567162113 /nfs/dbraw/zinc/16/21/13/567162113.db2.gz JSTRZEQJBSDHQL-UHFFFAOYSA-N 0 1 381.885 3.453 20 0 GGADMN O=C(NCCN1CC=CCC1)NCC1(c2cccc(Br)c2)CC1 ZINC000474348798 567162275 /nfs/dbraw/zinc/16/22/75/567162275.db2.gz ITGNBAXDXSCXPX-UHFFFAOYSA-N 0 1 378.314 3.042 20 0 GGADMN COc1ccc2nc(CNCCNC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000474350715 567162466 /nfs/dbraw/zinc/16/24/66/567162466.db2.gz KWUBAQASKLZGMM-UHFFFAOYSA-N 0 1 375.881 3.478 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1Cl ZINC000589170853 567162973 /nfs/dbraw/zinc/16/29/73/567162973.db2.gz ZYXSFSRLNBDLEP-CYBMUJFWSA-N 0 1 377.337 3.469 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H]1COc2cc(F)ccc2C1 ZINC000566501602 567162967 /nfs/dbraw/zinc/16/29/67/567162967.db2.gz YEOWJXPHLBDCOX-OAHLLOKOSA-N 0 1 383.872 3.366 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cncc(Br)c2)cc1 ZINC000566498681 567163389 /nfs/dbraw/zinc/16/33/89/567163389.db2.gz GFCLAHHTXYBCMA-GFCCVEGCSA-N 0 1 383.311 3.489 20 0 GGADMN Cc1cc(Br)cn2cc(CCNC(=O)c3n[nH]c4ccccc43)nc12 ZINC000546824189 567163704 /nfs/dbraw/zinc/16/37/04/567163704.db2.gz VRBWLCBQAWEJQI-UHFFFAOYSA-N 0 1 398.264 3.254 20 0 GGADMN C[C@@H]1CN(C)CCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000523582120 567164645 /nfs/dbraw/zinc/16/46/45/567164645.db2.gz NJFYOHHDNURZRN-SNVBAGLBSA-N 0 1 394.235 3.042 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1CCC(C)C ZINC000566541833 567166424 /nfs/dbraw/zinc/16/64/24/567166424.db2.gz BBYHTEAFQLKKFS-UHFFFAOYSA-N 0 1 385.873 3.170 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000615184738 567166940 /nfs/dbraw/zinc/16/69/40/567166940.db2.gz IYHQBDPVSDYSDT-ZBEGNZNMSA-N 0 1 389.297 3.427 20 0 GGADMN O=C(NCC1(c2ccccc2Br)CCC1)[C@@H]1CCCc2n[nH]nc21 ZINC000615186708 567167413 /nfs/dbraw/zinc/16/74/13/567167413.db2.gz WBAHTLGCWJFVBI-GFCCVEGCSA-N 0 1 389.297 3.225 20 0 GGADMN CC(C)c1nnc(C(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000454364616 567168025 /nfs/dbraw/zinc/16/80/25/567168025.db2.gz YTANXQKIPZHSBB-UHFFFAOYSA-N 0 1 380.271 3.230 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000566561079 567167945 /nfs/dbraw/zinc/16/79/45/567167945.db2.gz OFLPRZIQPLHCHM-GFCCVEGCSA-N 0 1 382.295 3.097 20 0 GGADMN CN1C(=O)C[C@H](c2nc(C3(N)CCC3)no2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000566560927 567167991 /nfs/dbraw/zinc/16/79/91/567167991.db2.gz JDCJPNIMSICSOQ-IINYFYTJSA-N 0 1 381.263 3.401 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000566571072 567168236 /nfs/dbraw/zinc/16/82/36/567168236.db2.gz YYABQKLDDVBYLF-VIFPVBQESA-N 0 1 388.212 3.269 20 0 GGADMN CN(C)c1cc(Br)cc(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000432589206 567170715 /nfs/dbraw/zinc/17/07/15/567170715.db2.gz UHVHJJGJTJANQJ-UHFFFAOYSA-N 0 1 380.330 3.216 20 0 GGADMN CC(C)Cn1nccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000589265844 567172281 /nfs/dbraw/zinc/17/22/81/567172281.db2.gz NVHNOORGFYWMIC-UHFFFAOYSA-N 0 1 377.388 3.281 20 0 GGADMN CC[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)[C@@H](O)C(F)(F)F ZINC000498368706 567172448 /nfs/dbraw/zinc/17/24/48/567172448.db2.gz BZBUFKOZJCJLBJ-BXUZGUMPSA-N 0 1 398.219 3.402 20 0 GGADMN CC[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)[C@H](O)C(F)(F)F ZINC000498358914 567172598 /nfs/dbraw/zinc/17/25/98/567172598.db2.gz KCNMZPFTAHYNNY-KBPBESRZSA-N 0 1 392.219 3.426 20 0 GGADMN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000566623894 567173004 /nfs/dbraw/zinc/17/30/04/567173004.db2.gz GQWNMFYKSCELHA-QMMMGPOBSA-N 0 1 378.687 3.184 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc(I)c[nH]1 ZINC000474448019 567173568 /nfs/dbraw/zinc/17/35/68/567173568.db2.gz RPBZXFAPANOUED-UHFFFAOYSA-N 0 1 380.544 3.370 20 0 GGADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000498380266 567174617 /nfs/dbraw/zinc/17/46/17/567174617.db2.gz DRVJGRSAFXTCNH-HZPDHXFCSA-N 0 1 379.913 3.380 20 0 GGADMN CN1CCCC[C@H]1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000684074115 567175392 /nfs/dbraw/zinc/17/53/92/567175392.db2.gz FQSYRNZZQDOPRT-KRWDZBQOSA-N 0 1 380.330 3.336 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(C)C1CC(O)C1 ZINC000546961519 567175425 /nfs/dbraw/zinc/17/54/25/567175425.db2.gz FZQRWDZXQKFJNQ-UHFFFAOYSA-N 0 1 379.092 3.175 20 0 GGADMN O=C(NCc1nc2cc(Br)ccc2o1)c1ccc(-c2nnc[nH]2)cc1 ZINC000566646921 567176542 /nfs/dbraw/zinc/17/65/42/567176542.db2.gz YJZMEWLYTJBMKH-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN Cc1nc(CS(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cs1 ZINC000684098706 567176574 /nfs/dbraw/zinc/17/65/74/567176574.db2.gz DXKPAXINMMCQKW-GOSISDBHSA-N 0 1 379.551 3.016 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCCN1CC=CCC1 ZINC000474534116 567177940 /nfs/dbraw/zinc/17/79/40/567177940.db2.gz LOJPJSCCWJYLHK-CYBMUJFWSA-N 0 1 384.293 3.080 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)c1 ZINC000432648978 567178304 /nfs/dbraw/zinc/17/83/04/567178304.db2.gz ZBIUXXSBODXSBU-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN Cc1ccc(C)c(Cc2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)c1 ZINC000547022182 567179234 /nfs/dbraw/zinc/17/92/34/567179234.db2.gz WBSBWRSHKCSKCL-UHFFFAOYSA-N 0 1 397.909 3.471 20 0 GGADMN COCCNS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000498483735 567180741 /nfs/dbraw/zinc/18/07/41/567180741.db2.gz ZLXFROPFHGJUDH-LBPRGKRZSA-N 0 1 388.942 3.177 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1ccccc1)N(C)C ZINC000474580103 567180832 /nfs/dbraw/zinc/18/08/32/567180832.db2.gz YITSTLUFLRUXOU-GUYCJALGSA-N 0 1 397.338 3.419 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1ccccc1)N(C)C ZINC000474580101 567181212 /nfs/dbraw/zinc/18/12/12/567181212.db2.gz YITSTLUFLRUXOU-DYVFJYSZSA-N 0 1 397.338 3.419 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000524135844 567183433 /nfs/dbraw/zinc/18/34/33/567183433.db2.gz UFAVHARXTKRASU-YOEHRIQHSA-N 0 1 382.346 3.362 20 0 GGADMN Brc1ccc(CSc2c[nH]nn2)c(CSc2cn[nH]n2)c1 ZINC000432733159 567183840 /nfs/dbraw/zinc/18/38/40/567183840.db2.gz ZMPLGTUQAGEBDU-UHFFFAOYSA-N 0 1 383.300 3.270 20 0 GGADMN Brc1ccc(CSc2cn[nH]n2)c(CSc2c[nH]nn2)c1 ZINC000432733159 567183844 /nfs/dbraw/zinc/18/38/44/567183844.db2.gz ZMPLGTUQAGEBDU-UHFFFAOYSA-N 0 1 383.300 3.270 20 0 GGADMN Brc1ccc(CSc2cn[nH]n2)c(CSc2cn[nH]n2)c1 ZINC000432733159 567183849 /nfs/dbraw/zinc/18/38/49/567183849.db2.gz ZMPLGTUQAGEBDU-UHFFFAOYSA-N 0 1 383.300 3.270 20 0 GGADMN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1sccc1Br ZINC000524121191 567183971 /nfs/dbraw/zinc/18/39/71/567183971.db2.gz MGWZSWZLGFKNBF-UHFFFAOYSA-N 0 1 383.377 3.301 20 0 GGADMN CN1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000684160090 567185416 /nfs/dbraw/zinc/18/54/16/567185416.db2.gz VZIFLXOAHVOEFE-SJORKVTESA-N 0 1 380.330 3.336 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)cc1OC ZINC000498550401 567185976 /nfs/dbraw/zinc/18/59/76/567185976.db2.gz OQKWMYVKPIVMFD-QWHCGFSZSA-N 0 1 399.329 3.411 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cccc(I)c2C)C[C@@H]1C ZINC000498556720 567186442 /nfs/dbraw/zinc/18/64/42/567186442.db2.gz QVPXRUGLPDHDDQ-RYUDHWBXSA-N 0 1 386.277 3.154 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@H]1C ZINC000498550742 567186491 /nfs/dbraw/zinc/18/64/91/567186491.db2.gz RGXDCIOMCGWDPM-KGLIPLIRSA-N 0 1 391.313 3.190 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)cc1OC ZINC000498550399 567186535 /nfs/dbraw/zinc/18/65/35/567186535.db2.gz OQKWMYVKPIVMFD-CHWSQXEVSA-N 0 1 399.329 3.411 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000498568157 567186632 /nfs/dbraw/zinc/18/66/32/567186632.db2.gz YTSSSCONFOHOIN-UONOGXRCSA-N 0 1 383.330 3.331 20 0 GGADMN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cncc(Br)c1 ZINC000566748848 567186791 /nfs/dbraw/zinc/18/67/91/567186791.db2.gz NYANWCWKAKPIGW-LBPRGKRZSA-N 0 1 383.311 3.240 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCN1CC=CCC1 ZINC000474649855 567186882 /nfs/dbraw/zinc/18/68/82/567186882.db2.gz BFQXFPCHCCBRPR-RHSMWYFYSA-N 0 1 396.329 3.086 20 0 GGADMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1n[nH]c(C2CC2)c1Br ZINC000684187404 567186926 /nfs/dbraw/zinc/18/69/26/567186926.db2.gz BLHMUMPFJLMZLM-UHFFFAOYSA-N 0 1 391.204 3.226 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCCC3=O)cc1Cl ZINC000432773875 567188509 /nfs/dbraw/zinc/18/85/09/567188509.db2.gz KPXIKMXFPBEDMT-UHFFFAOYSA-N 0 1 381.837 3.423 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1nn(C)cc1Br ZINC000432781586 567189976 /nfs/dbraw/zinc/18/99/76/567189976.db2.gz RZHLOFUGQBINCU-HUUCEWRRSA-N 0 1 377.330 3.277 20 0 GGADMN Cc1cccc(I)c1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000474685089 567190711 /nfs/dbraw/zinc/19/07/11/567190711.db2.gz FFLHWXAJMSRQIS-ZIAGYGMSSA-N 0 1 398.288 3.298 20 0 GGADMN COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432780958 567191039 /nfs/dbraw/zinc/19/10/39/567191039.db2.gz PHCUELQKASNWFX-AWEZNQCLSA-N 0 1 395.301 3.211 20 0 GGADMN Cc1cccc(I)c1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000474685088 567191369 /nfs/dbraw/zinc/19/13/69/567191369.db2.gz FFLHWXAJMSRQIS-UONOGXRCSA-N 0 1 398.288 3.298 20 0 GGADMN COc1sc(CN(C)CCCNC(=O)C2CCC2)cc1Br ZINC000432788239 567192144 /nfs/dbraw/zinc/19/21/44/567192144.db2.gz XGCRTJNGBLRTGS-UHFFFAOYSA-N 0 1 375.332 3.257 20 0 GGADMN COC(=O)CN(Cc1n[nH]c(C(C)(C)C)n1)Cc1cccc(Br)c1 ZINC000432808665 567192273 /nfs/dbraw/zinc/19/22/73/567192273.db2.gz UENYRXIQLNKKKL-UHFFFAOYSA-N 0 1 395.301 3.040 20 0 GGADMN COCCOc1ccccc1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000547241109 567192915 /nfs/dbraw/zinc/19/29/15/567192915.db2.gz DZNQNBQLOQUDRY-UHFFFAOYSA-N 0 1 381.519 3.418 20 0 GGADMN CC[C@H](C)[C@@](C)(O)CNCc1c(F)ccc(I)c1F ZINC000474711488 567193786 /nfs/dbraw/zinc/19/37/86/567193786.db2.gz KVUNSOHVMHTPNA-XPTSAGLGSA-N 0 1 383.220 3.456 20 0 GGADMN Cc1cc(Cc2nc(Cc3cccc(F)c3I)no2)[nH]n1 ZINC000547265244 567195285 /nfs/dbraw/zinc/19/52/85/567195285.db2.gz AFDGESKGFVUNHA-UHFFFAOYSA-N 0 1 398.179 3.026 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCOc2c(Br)cccc2C1 ZINC000684274798 567195302 /nfs/dbraw/zinc/19/53/02/567195302.db2.gz FFYGIOQYGUHVQL-AWEZNQCLSA-N 0 1 391.269 3.154 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000498706087 567195644 /nfs/dbraw/zinc/19/56/44/567195644.db2.gz CFPSVKSWXRDZKG-LBPRGKRZSA-N 0 1 377.286 3.005 20 0 GGADMN Cc1c(C(=O)N2CCN(C)CC[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000498712654 567195771 /nfs/dbraw/zinc/19/57/71/567195771.db2.gz AXICDTSZEFNHBQ-CYBMUJFWSA-N 0 1 391.313 3.109 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(Cl)ccc1I ZINC000498715118 567196161 /nfs/dbraw/zinc/19/61/61/567196161.db2.gz IUMUKGHPNGTFTA-JTQLQIEISA-N 0 1 392.668 3.111 20 0 GGADMN Cc1ccc(OCCC(=O)N2CCN(CC3CC3)CC2)c(Br)c1 ZINC000498712567 567196523 /nfs/dbraw/zinc/19/65/23/567196523.db2.gz NQSSBLQUJXEKNI-UHFFFAOYSA-N 0 1 381.314 3.081 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)Nc2cccc(Br)c2C)CC1 ZINC000454699448 567196846 /nfs/dbraw/zinc/19/68/46/567196846.db2.gz UWXXWDUSSCKUQM-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCN(C)CC[C@@H]1C ZINC000498725487 567197091 /nfs/dbraw/zinc/19/70/91/567197091.db2.gz IONOYRSYWBSCAH-WMLDXEAASA-N 0 1 383.330 3.405 20 0 GGADMN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000498744333 567197559 /nfs/dbraw/zinc/19/75/59/567197559.db2.gz KQDKAJYXWUBIRF-BXUZGUMPSA-N 0 1 378.270 3.479 20 0 GGADMN Cc1nc(C(=O)N2CCN(C)CC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000498737692 567197795 /nfs/dbraw/zinc/19/77/95/567197795.db2.gz NZHLKRCJFDSDRL-LLVKDONJSA-N 0 1 382.295 3.049 20 0 GGADMN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000498744337 567197995 /nfs/dbraw/zinc/19/79/95/567197995.db2.gz KQDKAJYXWUBIRF-SMDDNHRTSA-N 0 1 378.270 3.479 20 0 GGADMN CC(C)c1nc(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)n[nH]1 ZINC000615671192 567198143 /nfs/dbraw/zinc/19/81/43/567198143.db2.gz ZPDJFNOIJOMYCE-UHFFFAOYSA-N 0 1 381.274 3.164 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000498732381 567198388 /nfs/dbraw/zinc/19/83/88/567198388.db2.gz ANYYGIPQKZKMLQ-JTQLQIEISA-N 0 1 392.668 3.111 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc(-c2cccc(Br)c2)no1 ZINC000615670700 567198515 /nfs/dbraw/zinc/19/85/15/567198515.db2.gz XHCBTSFDONTTMG-UHFFFAOYSA-N 0 1 388.225 3.030 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(NC2CC2)nc1 ZINC000524417023 567199321 /nfs/dbraw/zinc/19/93/21/567199321.db2.gz FUPNISYKPFPOOO-UHFFFAOYSA-N 0 1 399.252 3.456 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H](c2ccc(F)cn2)C(C)C)c(C)s1 ZINC000498767342 567199975 /nfs/dbraw/zinc/19/99/75/567199975.db2.gz MFRWMSNIXVLQME-QGZVFWFLSA-N 0 1 385.530 3.164 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)nc1C ZINC000547328723 567200320 /nfs/dbraw/zinc/20/03/20/567200320.db2.gz TZELMFLIPWMOGR-UHFFFAOYSA-N 0 1 387.241 3.202 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Sc1n[nH]c(CC)n1 ZINC000524476824 567200953 /nfs/dbraw/zinc/20/09/53/567200953.db2.gz BXEXSZGODOVRAL-SECBINFHSA-N 0 1 382.511 3.287 20 0 GGADMN O=S1(=O)CCC[C@H]1CNCc1ccc(Br)cc1C(F)(F)F ZINC000474807466 567200950 /nfs/dbraw/zinc/20/09/50/567200950.db2.gz HXGBEQKJJBIWHE-NSHDSACASA-N 0 1 386.233 3.135 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Sc1nc(CC)n[nH]1 ZINC000524476824 567200961 /nfs/dbraw/zinc/20/09/61/567200961.db2.gz BXEXSZGODOVRAL-SECBINFHSA-N 0 1 382.511 3.287 20 0 GGADMN COC(=O)c1nc(NC(=O)c2c(C)n[nH]c2C(F)(F)F)sc1C(C)C ZINC000589952521 567201623 /nfs/dbraw/zinc/20/16/23/567201623.db2.gz UEKBOUVKWALLKI-UHFFFAOYSA-N 0 1 376.360 3.356 20 0 GGADMN CC(C)CNc1nnc(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)s1 ZINC000524535349 567202447 /nfs/dbraw/zinc/20/24/47/567202447.db2.gz AZRBDZXTJQIUJI-CQSZACIVSA-N 0 1 380.514 3.455 20 0 GGADMN O=C(c1nc2cc(Cl)ccc2s1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000566927286 567202415 /nfs/dbraw/zinc/20/24/15/567202415.db2.gz WMTBMMHUNJLNNV-CQSZACIVSA-N 0 1 379.913 3.277 20 0 GGADMN C[C@@]1(CO)CCC[C@@H]1NCc1c(F)ccc(I)c1F ZINC000474810443 567202653 /nfs/dbraw/zinc/20/26/53/567202653.db2.gz ORWIKFOKUQZHRQ-JSGCOSHPSA-N 0 1 381.204 3.210 20 0 GGADMN CCc1nc(CNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)n[nH]1 ZINC000454786348 567203269 /nfs/dbraw/zinc/20/32/69/567203269.db2.gz MIQWEDOWXRFGLC-UHFFFAOYSA-N 0 1 377.754 3.283 20 0 GGADMN C[C@@](O)(C1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000547346121 567203558 /nfs/dbraw/zinc/20/35/58/567203558.db2.gz BEFOFBPTRWVBBZ-GDBMZVCRSA-N 0 1 381.822 3.105 20 0 GGADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498848651 567204468 /nfs/dbraw/zinc/20/44/68/567204468.db2.gz FETOCUVEHJWYMM-UHFFFAOYSA-N 0 1 388.269 3.330 20 0 GGADMN COC1(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)CCOCC1 ZINC000432927036 567205060 /nfs/dbraw/zinc/20/50/60/567205060.db2.gz JNHPBNQQBZUFMY-GFCCVEGCSA-N 0 1 396.285 3.345 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc3nc[nH]c3c2)n1 ZINC000615795191 567205786 /nfs/dbraw/zinc/20/57/86/567205786.db2.gz ZJYARORIGDYBKK-UHFFFAOYSA-N 0 1 376.258 3.207 20 0 GGADMN O=C(NCc1cc(F)cc2c1OCOC2)c1cccc(Br)c1O ZINC000524607378 567205908 /nfs/dbraw/zinc/20/59/08/567205908.db2.gz XZBZYJYJZIEGFF-UHFFFAOYSA-N 0 1 382.185 3.090 20 0 GGADMN Nc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000547384823 567205985 /nfs/dbraw/zinc/20/59/85/567205985.db2.gz MKBRVEBSDQHFDJ-MRXNPFEDSA-N 0 1 376.869 3.324 20 0 GGADMN Cn1cc(Br)c(CN2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000432935656 567206430 /nfs/dbraw/zinc/20/64/30/567206430.db2.gz AILHFLWTLGWQLX-UHFFFAOYSA-N 0 1 381.293 3.030 20 0 GGADMN Cc1cnc(CCNCc2c(F)ccc(I)c2F)nc1 ZINC000474868197 567206717 /nfs/dbraw/zinc/20/67/17/567206717.db2.gz IVWJFQHXJDYHMP-UHFFFAOYSA-N 0 1 389.187 3.000 20 0 GGADMN C[C@@H](NC(C)(C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000547413311 567207461 /nfs/dbraw/zinc/20/74/61/567207461.db2.gz KRLKSIHAXOBTDX-CYBMUJFWSA-N 0 1 393.329 3.054 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000615816681 567207559 /nfs/dbraw/zinc/20/75/59/567207559.db2.gz OGLDNLHWIQTMHQ-SECBINFHSA-N 0 1 381.841 3.046 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CS(=O)(=O)C1CCCC1 ZINC000615816726 567207696 /nfs/dbraw/zinc/20/76/96/567207696.db2.gz PAVZPQYXAZNULY-NSHDSACASA-N 0 1 383.901 3.093 20 0 GGADMN C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000684424692 567207717 /nfs/dbraw/zinc/20/77/17/567207717.db2.gz VXQBSPVIBXATEA-LLVKDONJSA-N 0 1 384.299 3.066 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@H](C)Sc1nncn1C ZINC000615818539 567208119 /nfs/dbraw/zinc/20/81/19/567208119.db2.gz XDSKZJROECJISB-ZJUUUORDSA-N 0 1 378.889 3.045 20 0 GGADMN CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615815272 567208524 /nfs/dbraw/zinc/20/85/24/567208524.db2.gz GQGHITCDIHFYNR-GFCCVEGCSA-N 0 1 385.917 3.197 20 0 GGADMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1c(F)ccc(I)c1F ZINC000474922958 567209212 /nfs/dbraw/zinc/20/92/12/567209212.db2.gz IYNZOPTVFVAYKI-DTWKUNHWSA-N 0 1 397.203 3.247 20 0 GGADMN CCCc1nc(=NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s[n-]1 ZINC000567002070 567209510 /nfs/dbraw/zinc/20/95/10/567209510.db2.gz WZTNDLRBXRSFQJ-DOMZBBRYSA-N 0 1 379.555 3.179 20 0 GGADMN CCCc1nc(=NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s[n-]1 ZINC000567002073 567209577 /nfs/dbraw/zinc/20/95/77/567209577.db2.gz WZTNDLRBXRSFQJ-WFASDCNBSA-N 0 1 379.555 3.179 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2C)cn1 ZINC000547435773 567210250 /nfs/dbraw/zinc/21/02/50/567210250.db2.gz IKORWONLRHAZJK-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN O=C(C[C@H]1COCCN1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659370788 567210372 /nfs/dbraw/zinc/21/03/72/567210372.db2.gz AWIDLTSISHABSF-KXBFYZLASA-N 0 1 376.909 3.254 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C ZINC000498921463 567210980 /nfs/dbraw/zinc/21/09/80/567210980.db2.gz DOGCBDOUJAAIGF-OLZOCXBDSA-N 0 1 379.302 3.414 20 0 GGADMN CC(C)Cn1cc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000454905289 567211170 /nfs/dbraw/zinc/21/11/70/567211170.db2.gz OQWQDOOXFLGPBL-UHFFFAOYSA-N 0 1 391.273 3.500 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000590158014 567211149 /nfs/dbraw/zinc/21/11/49/567211149.db2.gz XATARFUXXPIDFI-CXAGYDPISA-N 0 1 380.330 3.468 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C ZINC000498915090 567211237 /nfs/dbraw/zinc/21/12/37/567211237.db2.gz FERVJUQBZAJJII-ZIAGYGMSSA-N 0 1 393.329 3.337 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000590166946 567211460 /nfs/dbraw/zinc/21/14/60/567211460.db2.gz AACOHYGEKQFBGZ-SJORKVTESA-N 0 1 380.330 3.431 20 0 GGADMN Cc1ncc(CNCc2ccc(OC(F)(F)F)c(Br)c2)c(=O)[nH]1 ZINC000474934297 567211846 /nfs/dbraw/zinc/21/18/46/567211846.db2.gz YUJJIYCYONASKI-UHFFFAOYSA-N 0 1 392.175 3.442 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C ZINC000498921464 567211907 /nfs/dbraw/zinc/21/19/07/567211907.db2.gz DOGCBDOUJAAIGF-QWHCGFSZSA-N 0 1 379.302 3.414 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C ZINC000498915087 567212040 /nfs/dbraw/zinc/21/20/40/567212040.db2.gz FERVJUQBZAJJII-KBPBESRZSA-N 0 1 393.329 3.337 20 0 GGADMN COc1ccc(O[C@@H](C)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000567034316 567212476 /nfs/dbraw/zinc/21/24/76/567212476.db2.gz AINLJAFHEAKBSV-JTQLQIEISA-N 0 1 391.823 3.373 20 0 GGADMN COC[C@H](N[C@@H](C)c1ccccc1I)[C@H]1CCCO1 ZINC000432997026 567214328 /nfs/dbraw/zinc/21/43/28/567214328.db2.gz JNWKEKKJTMXPLA-TUKIKUTGSA-N 0 1 375.250 3.136 20 0 GGADMN CS(=O)(=O)c1nnc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)s1 ZINC000684534097 567214689 /nfs/dbraw/zinc/21/46/89/567214689.db2.gz MXESJOZUBDCYHJ-UHFFFAOYSA-N 0 1 394.425 3.129 20 0 GGADMN C[C@@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000567080732 567215614 /nfs/dbraw/zinc/21/56/14/567215614.db2.gz XUCORWRJGIPRCT-TZMCWYRMSA-N 0 1 394.368 3.305 20 0 GGADMN CCc1[nH]nc(C(=O)N(CCN2CCCC2)c2ccccc2)c1Br ZINC000567068174 567215879 /nfs/dbraw/zinc/21/58/79/567215879.db2.gz LPULBHDITKCDQW-UHFFFAOYSA-N 0 1 391.313 3.477 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000567088820 567216702 /nfs/dbraw/zinc/21/67/02/567216702.db2.gz ZZRHAWBURCEFJS-GFCCVEGCSA-N 0 1 398.276 3.465 20 0 GGADMN O=C(CCc1nccs1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000590271638 567217822 /nfs/dbraw/zinc/21/78/22/567217822.db2.gz ZZCALPOJPFVQPV-UHFFFAOYSA-N 0 1 378.255 3.262 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC000567113103 567218771 /nfs/dbraw/zinc/21/87/71/567218771.db2.gz QPTSHODMXMYEHY-JTQLQIEISA-N 0 1 377.229 3.217 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Br)N(C)C[C@H](O)Cc1ccccc1 ZINC000433054043 567218843 /nfs/dbraw/zinc/21/88/43/567218843.db2.gz TYVPECGPUSJHRU-GDBMZVCRSA-N 0 1 391.309 3.312 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)Cc1ccccc1Cl ZINC000590297651 567219418 /nfs/dbraw/zinc/21/94/18/567219418.db2.gz RDSSSJZNIHRRMT-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN CCc1nc(CN2CCN([C@H](CC)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000475019072 567219378 /nfs/dbraw/zinc/21/93/78/567219378.db2.gz NRFYTOUUOPPRTM-MRXNPFEDSA-N 0 1 392.345 3.399 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@H]1c1ncon1 ZINC000567131435 567220592 /nfs/dbraw/zinc/22/05/92/567220592.db2.gz JIJQENHCZCTPIE-AWEZNQCLSA-N 0 1 388.225 3.200 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2c3c(ccc2Cl)OCC3)c(F)c1 ZINC000684608680 567220735 /nfs/dbraw/zinc/22/07/35/567220735.db2.gz FESXEHOJKRZUJM-UHFFFAOYSA-N 0 1 375.780 3.363 20 0 GGADMN O=C(CSCc1cccc(Cl)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000590352321 567221041 /nfs/dbraw/zinc/22/10/41/567221041.db2.gz DGOYIWKKRQCKMT-SFHVURJKSA-N 0 1 382.957 3.287 20 0 GGADMN CCc1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)o1 ZINC000433083420 567221282 /nfs/dbraw/zinc/22/12/82/567221282.db2.gz PBIUSYNDKKPEIF-UHFFFAOYSA-N 0 1 376.214 3.345 20 0 GGADMN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2c(F)cccc2Br)cn1 ZINC000475045026 567221495 /nfs/dbraw/zinc/22/14/95/567221495.db2.gz IIHVUWWEWPXSEB-KBPBESRZSA-N 0 1 399.283 3.024 20 0 GGADMN C[C@@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Br)s1 ZINC000567135490 567221674 /nfs/dbraw/zinc/22/16/74/567221674.db2.gz IYVIUIYVIAACDR-MRVPVSSYSA-N 0 1 386.319 3.487 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433092220 567222022 /nfs/dbraw/zinc/22/20/22/567222022.db2.gz WSSCHFXVMCQROW-LLVKDONJSA-N 0 1 386.253 3.447 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(Br)cc2cccnc21 ZINC000433090189 567222334 /nfs/dbraw/zinc/22/23/34/567222334.db2.gz QWPXBEDMVAVYJO-UHFFFAOYSA-N 0 1 395.220 3.430 20 0 GGADMN Cc1cc(Br)cc(C[NH+]=c2[n-]nc3ccccn32)c1OC(F)F ZINC000475050367 567223214 /nfs/dbraw/zinc/22/32/14/567223214.db2.gz AXXVRXMMQXKTJI-UHFFFAOYSA-N 0 1 383.196 3.436 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000616058337 567223716 /nfs/dbraw/zinc/22/37/16/567223716.db2.gz FDCBPXOWDSRLTK-UHFFFAOYSA-N 0 1 387.355 3.161 20 0 GGADMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cncc(Br)c1 ZINC000590406994 567224105 /nfs/dbraw/zinc/22/41/05/567224105.db2.gz UQEJCKIFFZUTTL-UHFFFAOYSA-N 0 1 395.220 3.430 20 0 GGADMN CCC[C@@H](NC1CCN(Cc2ccccc2Br)CC1)C(=O)OC ZINC000475090348 567224691 /nfs/dbraw/zinc/22/46/91/567224691.db2.gz PNFYJNUIEIQDER-QGZVFWFLSA-N 0 1 383.330 3.345 20 0 GGADMN CSc1n[nH]c(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000499107342 567225153 /nfs/dbraw/zinc/22/51/53/567225153.db2.gz SOYHOJPNUFYWOH-UHFFFAOYSA-N 0 1 395.897 3.397 20 0 GGADMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2ccns2)C1 ZINC000637944167 567225542 /nfs/dbraw/zinc/22/55/42/567225542.db2.gz YGEDJONCNNPMBX-LLVKDONJSA-N 0 1 381.299 3.151 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)Nc1nccc(-c2cncc(F)c2)n1 ZINC000433132105 567225457 /nfs/dbraw/zinc/22/54/57/567225457.db2.gz WTOTYHMBBZCYGQ-UHFFFAOYSA-N 0 1 378.816 3.440 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc3c2ccn3C)c1 ZINC000525017215 567225922 /nfs/dbraw/zinc/22/59/22/567225922.db2.gz LIJIGNLKOOWYNP-UHFFFAOYSA-N 0 1 378.837 3.419 20 0 GGADMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(I)cc2)C1 ZINC000590417865 567225947 /nfs/dbraw/zinc/22/59/47/567225947.db2.gz NMEZYPJCINQVKV-RNCFNFMXSA-N 0 1 381.217 3.319 20 0 GGADMN CCOc1ccc(Br)cc1NC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000637941260 567226310 /nfs/dbraw/zinc/22/63/10/567226310.db2.gz FKLWDGAUWVHYGR-HNNXBMFYSA-N 0 1 393.281 3.365 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C[C@H]1CCCC2 ZINC000659800534 567226595 /nfs/dbraw/zinc/22/65/95/567226595.db2.gz VSMHACMRUQDHBN-PIGZYNQJSA-N 0 1 378.270 3.402 20 0 GGADMN O=C([O-])[C@]12C[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C[C@H]1CCCC2 ZINC000659800534 567226597 /nfs/dbraw/zinc/22/65/97/567226597.db2.gz VSMHACMRUQDHBN-PIGZYNQJSA-N 0 1 378.270 3.402 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C[C@H]1CCCC2 ZINC000659800534 567226600 /nfs/dbraw/zinc/22/66/00/567226600.db2.gz VSMHACMRUQDHBN-PIGZYNQJSA-N 0 1 378.270 3.402 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3cc4c(cc3Br)OCCO4)C[C@H]1CCCC2 ZINC000659798657 567226610 /nfs/dbraw/zinc/22/66/10/567226610.db2.gz MATHXYDKTSEDGF-FZKQIMNGSA-N 0 1 396.281 3.297 20 0 GGADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660717 567226862 /nfs/dbraw/zinc/22/68/62/567226862.db2.gz VVHYYAZPCUJRJL-LBPRGKRZSA-N 0 1 395.750 3.255 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000616108388 567227815 /nfs/dbraw/zinc/22/78/15/567227815.db2.gz VKNYNLZWPVJXDY-CQSZACIVSA-N 0 1 380.330 3.117 20 0 GGADMN CC[C@H](CC(F)F)CN(Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000659818958 567228253 /nfs/dbraw/zinc/22/82/53/567228253.db2.gz AXECLLWCOOYMCV-GDBMZVCRSA-N 0 1 375.481 3.366 20 0 GGADMN Cc1cccc2c1C[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)CC2 ZINC000567217342 567228497 /nfs/dbraw/zinc/22/84/97/567228497.db2.gz ICLOVTAASJMXNS-UHFFFAOYSA-N 0 1 384.277 3.324 20 0 GGADMN Cc1cccc2c1CN(Cc1cc(=O)n3cc(Br)ccc3n1)CC2 ZINC000567217342 567228505 /nfs/dbraw/zinc/22/85/05/567228505.db2.gz ICLOVTAASJMXNS-UHFFFAOYSA-N 0 1 384.277 3.324 20 0 GGADMN CC(C)[C@@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)NC(N)=O ZINC000525116586 567228642 /nfs/dbraw/zinc/22/86/42/567228642.db2.gz BGFAOLUMEDMBKE-SNVBAGLBSA-N 0 1 388.280 3.090 20 0 GGADMN Cc1cc(NC(=O)CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)no1 ZINC000525116843 567229048 /nfs/dbraw/zinc/22/90/48/567229048.db2.gz QQIMVVBBGDAPTM-UHFFFAOYSA-N 0 1 384.248 3.228 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000590499254 567229327 /nfs/dbraw/zinc/22/93/27/567229327.db2.gz SEQPXPPWDBFCJT-NXEZZACHSA-N 0 1 376.869 3.274 20 0 GGADMN COc1cc(NC(=O)NCc2n[nH]c(C(C)C)n2)cc(OC)c1Br ZINC000455070400 567229949 /nfs/dbraw/zinc/22/99/49/567229949.db2.gz UBNBWWAGNZNGSS-UHFFFAOYSA-N 0 1 398.261 3.030 20 0 GGADMN COC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCCO1 ZINC000433195309 567231529 /nfs/dbraw/zinc/23/15/29/567231529.db2.gz TVJAJZRHVJAMKN-ZWKOTPCHSA-N 0 1 394.313 3.227 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2cccc(I)c2)C[C@H]1C ZINC000499247780 567231909 /nfs/dbraw/zinc/23/19/09/567231909.db2.gz PWZXCHWADZCXQC-NEPJUHHUSA-N 0 1 387.265 3.238 20 0 GGADMN O=C(Cc1ccc(I)cc1)Nc1n[nH]c2cc(O)ccc21 ZINC000590557727 567232222 /nfs/dbraw/zinc/23/22/22/567232222.db2.gz GYLKNUJLTHTUOI-UHFFFAOYSA-N 0 1 393.184 3.054 20 0 GGADMN COCCc1ncc(CN2CCC(n3cc(Br)cn3)CC2)s1 ZINC000638072274 567232712 /nfs/dbraw/zinc/23/27/12/567232712.db2.gz LWYNDVBCSYDQRG-UHFFFAOYSA-N 0 1 385.331 3.128 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCO[C@@H](c3cccc(Br)c3)C2)nc1C ZINC000659862967 567232918 /nfs/dbraw/zinc/23/29/18/567232918.db2.gz GUFIKVFVAPLODF-MRXNPFEDSA-N 0 1 392.297 3.299 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN(CCOC)[C@@H]1CCCSC1 ZINC000433211016 567233054 /nfs/dbraw/zinc/23/30/54/567233054.db2.gz WMXCVCMCCGYXRS-NVXWUHKLSA-N 0 1 382.595 3.428 20 0 GGADMN O=C(NCC1CCN(CC(F)F)CC1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000567280845 567233237 /nfs/dbraw/zinc/23/32/37/567233237.db2.gz WRBBZUYCVRGGEE-UHFFFAOYSA-N 0 1 388.871 3.499 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CN(CCOC)[C@H]1CCCSC1 ZINC000433211018 567233305 /nfs/dbraw/zinc/23/33/05/567233305.db2.gz WMXCVCMCCGYXRS-RDJZCZTQSA-N 0 1 382.595 3.428 20 0 GGADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)CCC2 ZINC000638074478 567233589 /nfs/dbraw/zinc/23/35/89/567233589.db2.gz BWYDXLMVOMPJOL-CQSZACIVSA-N 0 1 385.942 3.262 20 0 GGADMN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000567295324 567234425 /nfs/dbraw/zinc/23/44/25/567234425.db2.gz NIABYXWVZUYTTL-YPMHNXCESA-N 0 1 378.245 3.439 20 0 GGADMN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000567295322 567234551 /nfs/dbraw/zinc/23/45/51/567234551.db2.gz NIABYXWVZUYTTL-DGCLKSJQSA-N 0 1 378.245 3.439 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(N(C)C)c1 ZINC000616247233 567234917 /nfs/dbraw/zinc/23/49/17/567234917.db2.gz RZOFONVQOBUSDH-UHFFFAOYSA-N 0 1 386.832 3.133 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(Br)cc2)CCN1CCOC ZINC000499275806 567235235 /nfs/dbraw/zinc/23/52/35/567235235.db2.gz NFCSFLRSEJAPNB-INIZCTEOSA-N 0 1 384.318 3.414 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN1CCc2c(Br)ccc(F)c2C1 ZINC000590605853 567235801 /nfs/dbraw/zinc/23/58/01/567235801.db2.gz QLLUXYDCOGXKID-UHFFFAOYSA-N 0 1 396.260 3.355 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCO[C@@H](COCC2CC2)C1 ZINC000547655523 567236534 /nfs/dbraw/zinc/23/65/34/567236534.db2.gz QIWDBQXWVYNROI-GFCCVEGCSA-N 0 1 381.885 3.059 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H]1NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000590657694 567236881 /nfs/dbraw/zinc/23/68/81/567236881.db2.gz NCELDMXPDREEKN-KGLIPLIRSA-N 0 1 378.270 3.271 20 0 GGADMN CN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433257638 567237008 /nfs/dbraw/zinc/23/70/08/567237008.db2.gz DWMQDKGUXBGSLL-RRQGHBQHSA-N 0 1 381.314 3.037 20 0 GGADMN CN(C[C@@H]1CCCC[C@H]1O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433257636 567237263 /nfs/dbraw/zinc/23/72/63/567237263.db2.gz DWMQDKGUXBGSLL-IAOVAPTHSA-N 0 1 381.314 3.037 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cncc(F)c1 ZINC000433262415 567237418 /nfs/dbraw/zinc/23/74/18/567237418.db2.gz QKJOVPCHINLXNW-BZNIZROVSA-N 0 1 378.245 3.439 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000525240930 567237527 /nfs/dbraw/zinc/23/75/27/567237527.db2.gz YKBXSMWJJFYTMA-DOMZBBRYSA-N 0 1 379.298 3.011 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)c1cccc(Br)c1O ZINC000525261104 567237935 /nfs/dbraw/zinc/23/79/35/567237935.db2.gz IRJXSZMISPEMED-LLVKDONJSA-N 0 1 380.238 3.361 20 0 GGADMN CC(C)(C)CN(CCCO)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659905248 567238685 /nfs/dbraw/zinc/23/86/85/567238685.db2.gz LZPFWEHQTLSXEP-UHFFFAOYSA-N 0 1 382.302 3.239 20 0 GGADMN O=C1CCCN1Cc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000590694649 567239698 /nfs/dbraw/zinc/23/96/98/567239698.db2.gz VNGWIZYWDVLCNO-UHFFFAOYSA-N 0 1 382.844 3.402 20 0 GGADMN COCCn1ncc2ccc(NS(=O)(=O)c3cc(F)ccc3Cl)cc21 ZINC000590695243 567240031 /nfs/dbraw/zinc/24/00/31/567240031.db2.gz ZEZLUJXVIXUUEV-UHFFFAOYSA-N 0 1 383.832 3.276 20 0 GGADMN COc1cccc(C[C@@H](N)C(=O)Nc2cc(Br)c(C)cc2OC)c1 ZINC000638292555 567240555 /nfs/dbraw/zinc/24/05/55/567240555.db2.gz DKUDHKWRELLHDI-OAHLLOKOSA-N 0 1 393.281 3.283 20 0 GGADMN CC[C@@H](O)[C@H]1CCCCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659943983 567240668 /nfs/dbraw/zinc/24/06/68/567240668.db2.gz PGABPBORUFAPDI-HUUCEWRRSA-N 0 1 380.286 3.134 20 0 GGADMN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659943984 567240901 /nfs/dbraw/zinc/24/09/01/567240901.db2.gz PGABPBORUFAPDI-LSDHHAIUSA-N 0 1 380.286 3.134 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)c2cc(Br)ccc2OC(F)F)n[nH]1 ZINC000567390966 567241496 /nfs/dbraw/zinc/24/14/96/567241496.db2.gz MBJPOLYJFWLDRB-QMMMGPOBSA-N 0 1 388.212 3.443 20 0 GGADMN O[C@H]1CCN(Cc2cc3c(cc2Br)OCCCO3)C12CCCC2 ZINC000433320242 567242096 /nfs/dbraw/zinc/24/20/96/567242096.db2.gz RLIYDJUAMXKPNR-KRWDZBQOSA-N 0 1 382.298 3.490 20 0 GGADMN CCOC(=O)[C@]1(NS(=O)(=O)c2sccc2Cl)CCc2ccccc21 ZINC000590747075 567243042 /nfs/dbraw/zinc/24/30/42/567243042.db2.gz OBVUKEXLYNPSJS-INIZCTEOSA-N 0 1 385.894 3.085 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2C)n[nH]1 ZINC000433345352 567244427 /nfs/dbraw/zinc/24/44/27/567244427.db2.gz XMSJVXOGQAOKPP-KOLCDFICSA-N 0 1 386.905 3.328 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000660006763 567245044 /nfs/dbraw/zinc/24/50/44/567245044.db2.gz COQVBKQKRNRAJX-GFCCVEGCSA-N 0 1 382.860 3.046 20 0 GGADMN Cc1nnsc1CNC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000638368208 567245509 /nfs/dbraw/zinc/24/55/09/567245509.db2.gz ZLYZHQMXUKXHTK-IAQYHMDHSA-N 0 1 384.908 3.191 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCc3c(F)cc(Br)cc3C2)nc1C ZINC000660000863 567246051 /nfs/dbraw/zinc/24/60/51/567246051.db2.gz JBHDQSGMVZMMFI-UHFFFAOYSA-N 0 1 380.261 3.423 20 0 GGADMN CN(Cc1nnc[nH]1)Cc1cccc(OCC(F)(F)F)c1Br ZINC000659992996 567246133 /nfs/dbraw/zinc/24/61/33/567246133.db2.gz GYYXCRBXHQCRLA-UHFFFAOYSA-N 0 1 379.180 3.140 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000660008548 567246181 /nfs/dbraw/zinc/24/61/81/567246181.db2.gz CIRFTTWUONYQRO-LBPRGKRZSA-N 0 1 395.750 3.207 20 0 GGADMN CC(C)COC[C@H](O)CNCc1cc(Br)ccc1Br ZINC000567465675 567247556 /nfs/dbraw/zinc/24/75/56/567247556.db2.gz AZQJOINVDHDQSI-CYBMUJFWSA-N 0 1 395.135 3.335 20 0 GGADMN O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)[C@@H]1CCc2[nH]nnc2C1 ZINC000499426082 567247629 /nfs/dbraw/zinc/24/76/29/567247629.db2.gz XGNSNQHTEPEZTM-SECBINFHSA-N 0 1 377.235 3.041 20 0 GGADMN O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)[C@@H]1CCc2nn[nH]c2C1 ZINC000499426082 567247634 /nfs/dbraw/zinc/24/76/34/567247634.db2.gz XGNSNQHTEPEZTM-SECBINFHSA-N 0 1 377.235 3.041 20 0 GGADMN CS(=O)(=O)C1(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCC1 ZINC000475433693 567248196 /nfs/dbraw/zinc/24/81/96/567248196.db2.gz JTNBYWLJEIIXJX-UHFFFAOYSA-N 0 1 376.305 3.326 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cc(I)c(C)cc2C)n1 ZINC000475430271 567248238 /nfs/dbraw/zinc/24/82/38/567248238.db2.gz JUTJXZQOMBDSIT-UHFFFAOYSA-N 0 1 388.234 3.000 20 0 GGADMN CS(=O)(=O)C1(CNCc2ccc(OC(F)F)c(Br)c2)CCC1 ZINC000475429439 567248927 /nfs/dbraw/zinc/24/89/27/567248927.db2.gz QRYAMTCPAHZOHP-UHFFFAOYSA-N 0 1 398.269 3.107 20 0 GGADMN Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2ccsc2Cl)CCCN1C1CC1 ZINC000616510820 567249308 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CN(CC(=O)NC(=O)NC(C)(C)C)CC1(c2ccc(Br)cc2)CC1 ZINC000525488609 567251811 /nfs/dbraw/zinc/25/18/11/567251811.db2.gz ZJPUURXDDMDVJB-UHFFFAOYSA-N 0 1 396.329 3.037 20 0 GGADMN CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000525496510 567252217 /nfs/dbraw/zinc/25/22/17/567252217.db2.gz ONECIVAJOVAHCA-UHFFFAOYSA-N 0 1 378.460 3.237 20 0 GGADMN O=S1(=O)CC[C@@H](CCN2CCC(c3cccc(Br)c3)CC2)C1 ZINC000685008131 567253026 /nfs/dbraw/zinc/25/30/26/567253026.db2.gz YPJUQIXIARGPDR-CQSZACIVSA-N 0 1 386.355 3.453 20 0 GGADMN CN1CC[NH+](C(C)(C)CNC(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000685019050 567253265 /nfs/dbraw/zinc/25/32/65/567253265.db2.gz OVFQCBZWDBXZOV-UHFFFAOYSA-N 0 1 377.291 3.280 20 0 GGADMN CN1CCN(C(C)(C)CNC(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000685019050 567253273 /nfs/dbraw/zinc/25/32/73/567253273.db2.gz OVFQCBZWDBXZOV-UHFFFAOYSA-N 0 1 377.291 3.280 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1Cl ZINC000590862909 567253711 /nfs/dbraw/zinc/25/37/11/567253711.db2.gz 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CO[C@@]1(C)CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660449922 567295894 /nfs/dbraw/zinc/29/58/94/567295894.db2.gz BNROJCPMJLOAHD-KRWDZBQOSA-N 0 1 380.286 3.399 20 0 GGADMN CC(C)(C(=O)NCc1c[nH]nn1)c1csc(-c2c(F)cccc2Cl)n1 ZINC000685770758 567296210 /nfs/dbraw/zinc/29/62/10/567296210.db2.gz XIWOBLMMSTTZHB-UHFFFAOYSA-N 0 1 379.848 3.315 20 0 GGADMN CN(Cc1ccccc1)C[C@H](O)CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000591776209 567296303 /nfs/dbraw/zinc/29/63/03/567296303.db2.gz ADQQTAQXVDWANN-CJAUYULYSA-N 0 1 380.941 3.123 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000591806814 567298178 /nfs/dbraw/zinc/29/81/78/567298178.db2.gz BMICDDDSFQQEBB-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Br)cc1 ZINC000591806814 567298181 /nfs/dbraw/zinc/29/81/81/567298181.db2.gz BMICDDDSFQQEBB-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1Cl ZINC000591816998 567298930 /nfs/dbraw/zinc/29/89/30/567298930.db2.gz 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567299686 /nfs/dbraw/zinc/29/96/86/567299686.db2.gz PWYCRDURRQKDOI-KRWDZBQOSA-N 0 1 397.357 3.163 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000591817256 567300344 /nfs/dbraw/zinc/30/03/44/567300344.db2.gz BBZBUNFFKUBDIG-RYUDHWBXSA-N 0 1 378.460 3.139 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000591817001 567300916 /nfs/dbraw/zinc/30/09/16/567300916.db2.gz ONQGKRZZDDVOFJ-RYUDHWBXSA-N 0 1 395.352 3.401 20 0 GGADMN O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N[C@H](c1cncc(Br)c1)C1CC1 ZINC000660497226 567300899 /nfs/dbraw/zinc/30/08/99/567300899.db2.gz UQEYAQCCNXMFBG-YYQUZTFQSA-N 0 1 378.314 3.332 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1Cl ZINC000568064461 567301372 /nfs/dbraw/zinc/30/13/72/567301372.db2.gz FMJPFLNNNCFSTN-NSHDSACASA-N 0 1 379.625 3.384 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1Cl ZINC000568064461 567301367 /nfs/dbraw/zinc/30/13/67/567301367.db2.gz FMJPFLNNNCFSTN-NSHDSACASA-N 0 1 379.625 3.384 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CNCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000568077465 567302619 /nfs/dbraw/zinc/30/26/19/567302619.db2.gz VUSMMVMOZCVPMY-HNNXBMFYSA-N 0 1 383.275 3.270 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccn1)N1CCOc2c(Br)cccc2C1 ZINC000685840787 567302682 /nfs/dbraw/zinc/30/26/82/567302682.db2.gz RKMVBJLFTCMPHW-UHFFFAOYSA-N 0 1 399.248 3.269 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3nc4ccc(Br)cc4n3C)C2)cn1 ZINC000548275255 567304120 /nfs/dbraw/zinc/30/41/20/567304120.db2.gz IMHVVLCEYJUBOB-CYBMUJFWSA-N 0 1 388.313 3.134 20 0 GGADMN COc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000685851322 567304223 /nfs/dbraw/zinc/30/42/23/567304223.db2.gz IEIQMUJDGDYMLW-SJORKVTESA-N 0 1 384.314 3.258 20 0 GGADMN CC(C)(CNCc1nc2cc(Br)ccc2o1)[C@]1(O)CCCOC1 ZINC000639327917 567304407 /nfs/dbraw/zinc/30/44/07/567304407.db2.gz DXTSHJFVKPRHPK-KRWDZBQOSA-N 0 1 383.286 3.248 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000660519163 567304413 /nfs/dbraw/zinc/30/44/13/567304413.db2.gz 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COc1cc(OC)cc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)c1 ZINC000685902100 567309581 /nfs/dbraw/zinc/30/95/81/567309581.db2.gz ABPFIGMRYODAHJ-UHFFFAOYSA-N 0 1 376.356 3.227 20 0 GGADMN O=S(=O)(CCc1cccs1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000685900791 567309600 /nfs/dbraw/zinc/30/96/00/567309600.db2.gz KSJBOBNPJJISQV-CQSZACIVSA-N 0 1 385.482 3.429 20 0 GGADMN CCOC(=O)C1(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)CCC1 ZINC000476258667 567309633 /nfs/dbraw/zinc/30/96/33/567309633.db2.gz TVOGMEQRHKAHGZ-UHFFFAOYSA-N 0 1 380.242 3.387 20 0 GGADMN Cc1nc2ccc(Br)cn2c1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000476265301 567309690 /nfs/dbraw/zinc/30/96/90/567309690.db2.gz XFBYLDYAKXPNAL-UHFFFAOYSA-N 0 1 388.269 3.114 20 0 GGADMN Cc1ncc(CNC(=O)CCN(C)Cc2csc(Br)c2)s1 ZINC000639460399 567309887 /nfs/dbraw/zinc/30/98/87/567309887.db2.gz WJNJBTDXPGEFTM-UHFFFAOYSA-N 0 1 388.356 3.414 20 0 GGADMN Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)cc1Cl ZINC000434554854 567312131 /nfs/dbraw/zinc/31/21/31/567312131.db2.gz FROUXSFBAASXHT-CQSZACIVSA-N 0 1 384.307 3.373 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)CN1C1CC1 ZINC000476299439 567312437 /nfs/dbraw/zinc/31/24/37/567312437.db2.gz KPKVCDHIDSIMNW-NWDGAFQWSA-N 0 1 376.551 3.313 20 0 GGADMN Cc1nccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1Br ZINC000527087995 567313094 /nfs/dbraw/zinc/31/30/94/567313094.db2.gz JRFDLUHOTVSXDM-UHFFFAOYSA-N 0 1 395.276 3.097 20 0 GGADMN O=S(=O)(NC[C@@H](CO)c1ccccc1Cl)c1c(Cl)ccc(F)c1F ZINC000568240771 567313626 /nfs/dbraw/zinc/31/36/26/567313626.db2.gz BBBZKCXOVVUORA-VIFPVBQESA-N 0 1 396.242 3.326 20 0 GGADMN Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)cc1Cl ZINC000434559574 567313605 /nfs/dbraw/zinc/31/36/05/567313605.db2.gz PVLBSXYEUAGKJP-CYBMUJFWSA-N 0 1 384.307 3.373 20 0 GGADMN Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000434559575 567313676 /nfs/dbraw/zinc/31/36/76/567313676.db2.gz PVLBSXYEUAGKJP-ZDUSSCGKSA-N 0 1 384.307 3.373 20 0 GGADMN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000434562127 567314430 /nfs/dbraw/zinc/31/44/30/567314430.db2.gz UCZNLNBVNODTNV-GFCCVEGCSA-N 0 1 388.270 3.204 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2oc3ccc(Br)cc3c2C)C1 ZINC000592100346 567314601 /nfs/dbraw/zinc/31/46/01/567314601.db2.gz ANLKSTMACJKTNI-CQSZACIVSA-N 0 1 395.297 3.344 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000592105743 567315198 /nfs/dbraw/zinc/31/51/98/567315198.db2.gz XEFDUFGKXWZRRJ-OAHLLOKOSA-N 0 1 379.913 3.304 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)s3)n2)C1 ZINC000592090394 567315395 /nfs/dbraw/zinc/31/53/95/567315395.db2.gz DSNWAIDMOKJGNS-LLVKDONJSA-N 0 1 385.942 3.366 20 0 GGADMN CN1CC[C@@]2(C1)CCCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000660651943 567315445 /nfs/dbraw/zinc/31/54/45/567315445.db2.gz FGJSIJLRRDQZDD-QGZVFWFLSA-N 0 1 391.364 3.185 20 0 GGADMN Cc1[nH+]ccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000568247292 567315529 /nfs/dbraw/zinc/31/55/29/567315529.db2.gz IDOAOYSMFQBYRG-UHFFFAOYSA-N 0 1 379.873 3.412 20 0 GGADMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000527136438 567315943 /nfs/dbraw/zinc/31/59/43/567315943.db2.gz RYMYCUQYTGRTLW-LLVKDONJSA-N 0 1 382.860 3.094 20 0 GGADMN CN1CC[C@]2(C1)CCCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000660651941 567315973 /nfs/dbraw/zinc/31/59/73/567315973.db2.gz FGJSIJLRRDQZDD-KRWDZBQOSA-N 0 1 391.364 3.185 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc3cc(Br)ccc3c2)CCN1C ZINC000476342111 567316918 /nfs/dbraw/zinc/31/69/18/567316918.db2.gz MTHKLARJUNMHCD-BLLLJJGKSA-N 0 1 397.338 3.363 20 0 GGADMN CCOCC[C@H](O)CN1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000434633043 567316916 /nfs/dbraw/zinc/31/69/16/567316916.db2.gz CZPOYMLREULNJD-RBUKOAKNSA-N 0 1 399.373 3.305 20 0 GGADMN C[C@@H](CNC(=O)c1n[nH]c2ccc(I)cc21)C(F)(F)F ZINC000476340699 567317159 /nfs/dbraw/zinc/31/71/59/567317159.db2.gz JWLKEWPZWHJSIE-LURJTMIESA-N 0 1 397.138 3.096 20 0 GGADMN Brc1cnc2c(c1)nccc2N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000548441673 567317339 /nfs/dbraw/zinc/31/73/39/567317339.db2.gz WFSNPNREJRGPNX-WMLDXEAASA-N 0 1 391.313 3.448 20 0 GGADMN O=S1(=O)CC[C@H](N[C@H]2CCCc3cn[nH]c32)c2cc(Br)ccc21 ZINC000548481991 567318083 /nfs/dbraw/zinc/31/80/83/567318083.db2.gz JTJNQUWVKAFQSW-KBPBESRZSA-N 0 1 396.310 3.058 20 0 GGADMN CN1CCN(CCCSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 ZINC000548475947 567318962 /nfs/dbraw/zinc/31/89/62/567318962.db2.gz UIDYIFSDAAENBJ-UHFFFAOYSA-N 0 1 378.567 3.005 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC[C@@H](C)C1 ZINC000500418315 567319162 /nfs/dbraw/zinc/31/91/62/567319162.db2.gz ZDIJMPFGOHBUNB-CABCVRRESA-N 0 1 379.551 3.209 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000568339294 567319486 /nfs/dbraw/zinc/31/94/86/567319486.db2.gz ILBPULGATDFPOF-UHFFFAOYSA-N 0 1 382.239 3.140 20 0 GGADMN CCN(CCNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000500422391 567319587 /nfs/dbraw/zinc/31/95/87/567319587.db2.gz IQHZVVBJYUUNEE-UHFFFAOYSA-N 0 1 385.942 3.226 20 0 GGADMN CC[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1Br ZINC000548485322 567319702 /nfs/dbraw/zinc/31/97/02/567319702.db2.gz WVPNXNGKDRTPPY-OAHLLOKOSA-N 0 1 394.313 3.354 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1csc(CS(C)(=O)=O)n1 ZINC000660709244 567320886 /nfs/dbraw/zinc/32/08/86/567320886.db2.gz HZOZNMKJDVJSSU-SNVBAGLBSA-N 0 1 398.941 3.410 20 0 GGADMN C[C@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@H]1C ZINC000500431807 567321026 /nfs/dbraw/zinc/32/10/26/567321026.db2.gz ZDJWQSMEQDOBFV-HUUCEWRRSA-N 0 1 379.551 3.351 20 0 GGADMN C[C@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1C ZINC000500431808 567321126 /nfs/dbraw/zinc/32/11/26/567321126.db2.gz ZDJWQSMEQDOBFV-LSDHHAIUSA-N 0 1 379.551 3.351 20 0 GGADMN C[C@H](CN1CCOCC1)N(C)Cc1cc(Br)ccc1OC(F)F ZINC000434709918 567322428 /nfs/dbraw/zinc/32/24/28/567322428.db2.gz HUTCFHQMCDSZQG-GFCCVEGCSA-N 0 1 393.272 3.203 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3cccc(Br)c3C)cc12 ZINC000476424926 567322930 /nfs/dbraw/zinc/32/29/30/567322930.db2.gz QDLRJTMNGCEYGX-UHFFFAOYSA-N 0 1 382.239 3.403 20 0 GGADMN COc1cc(NS(=O)(=O)c2cnc3onc(C)c3c2)ccc1Br ZINC000476424342 567323168 /nfs/dbraw/zinc/32/31/68/567323168.db2.gz FIYNCKOUXCJWOQ-UHFFFAOYSA-N 0 1 398.238 3.103 20 0 GGADMN Cc1cc(=O)[nH]c(C(C)(C)NCCC(=O)Nc2cccc(Br)c2)n1 ZINC000660751674 567324007 /nfs/dbraw/zinc/32/40/07/567324007.db2.gz OVQVFIHXZVWWPC-UHFFFAOYSA-N 0 1 393.285 3.107 20 0 GGADMN COC[C@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660756625 567324881 /nfs/dbraw/zinc/32/48/81/567324881.db2.gz CLXYKXKDELLAGA-LBPRGKRZSA-N 0 1 380.286 3.257 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)nc1 ZINC000568400918 567326092 /nfs/dbraw/zinc/32/60/92/567326092.db2.gz UUAPDKDWMMLSBS-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000476470593 567326463 /nfs/dbraw/zinc/32/64/63/567326463.db2.gz HKHGHUARMCVMAF-ZDUSSCGKSA-N 0 1 379.555 3.104 20 0 GGADMN CCCSc1nc(=NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)s[n-]1 ZINC000476480338 567327083 /nfs/dbraw/zinc/32/70/83/567327083.db2.gz HVICVIRKCNZCJH-UHFFFAOYSA-N 0 1 379.555 3.236 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCCc1cc(Cl)ccc1Br ZINC000568411297 567327015 /nfs/dbraw/zinc/32/70/15/567327015.db2.gz MVHJMTAYHGVNFK-UHFFFAOYSA-N 0 1 386.677 3.257 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCCN1C1CC1 ZINC000434768486 567327058 /nfs/dbraw/zinc/32/70/58/567327058.db2.gz YXJLAXOQYHAQIS-MRXNPFEDSA-N 0 1 376.444 3.142 20 0 GGADMN CN(Cc1cccc(Br)c1OC(F)F)[C@H]1CCC(=O)N(C)C1 ZINC000568408366 567327467 /nfs/dbraw/zinc/32/74/67/567327467.db2.gz LHPSSWDJPSVHAQ-NSHDSACASA-N 0 1 377.229 3.103 20 0 GGADMN Cc1ccc(Br)cc1-c1n[n-]c(=NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000527294182 567327996 /nfs/dbraw/zinc/32/79/96/567327996.db2.gz MEJBZVDALWOYHD-LBPRGKRZSA-N 0 1 381.343 3.452 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000500533748 567328836 /nfs/dbraw/zinc/32/88/36/567328836.db2.gz GKEWSJJDHPUEQH-MJBXVCDLSA-N 0 1 388.339 3.021 20 0 GGADMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000500533747 567328873 /nfs/dbraw/zinc/32/88/73/567328873.db2.gz GKEWSJJDHPUEQH-MCIONIFRSA-N 0 1 388.339 3.021 20 0 GGADMN COc1ccc(Br)cc1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000568437166 567329026 /nfs/dbraw/zinc/32/90/26/567329026.db2.gz RTVNPZZNAZDIMY-UHFFFAOYSA-N 0 1 394.313 3.083 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476506007 567329762 /nfs/dbraw/zinc/32/97/62/567329762.db2.gz GHPDCWRGCWEZDB-GOEBONIOSA-N 0 1 384.307 3.089 20 0 GGADMN COC[C@@H](NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000434789568 567329782 /nfs/dbraw/zinc/32/97/82/567329782.db2.gz NBMVNSKOYWQEOO-OCCSQVGLSA-N 0 1 380.229 3.334 20 0 GGADMN O=C(CNCc1ccc(Br)cc1)N[C@@H]1CCOc2ccccc21 ZINC000500550511 567330555 /nfs/dbraw/zinc/33/05/55/567330555.db2.gz ZEYDMWXCGDDJIN-MRXNPFEDSA-N 0 1 375.266 3.179 20 0 GGADMN CN1CC=C(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000476509732 567330661 /nfs/dbraw/zinc/33/06/61/567330661.db2.gz MMBUVYUKBBFXRD-UHFFFAOYSA-N 0 1 395.322 3.143 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000592328056 567330989 /nfs/dbraw/zinc/33/09/89/567330989.db2.gz FGECFRLLYNJNGG-GFCCVEGCSA-N 0 1 390.709 3.335 20 0 GGADMN COCCN1CCC[C@H](NC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000592328064 567331178 /nfs/dbraw/zinc/33/11/78/567331178.db2.gz FGECFRLLYNJNGG-LBPRGKRZSA-N 0 1 390.709 3.335 20 0 GGADMN Fc1cc(I)c(-c2nc([C@H]3CCCN3)no2)cc1F ZINC000592356920 567331975 /nfs/dbraw/zinc/33/19/75/567331975.db2.gz KZNMMQMVPYLSBS-SNVBAGLBSA-N 0 1 377.132 3.044 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000568480251 567332181 /nfs/dbraw/zinc/33/21/81/567332181.db2.gz IWMPXPWURKKVCK-CQSZACIVSA-N 0 1 391.313 3.191 20 0 GGADMN CCOc1cc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc(Br)c1OC ZINC000568476534 567332304 /nfs/dbraw/zinc/33/23/04/567332304.db2.gz YKIMORHBZRDWAO-ZFWWWQNUSA-N 0 1 397.313 3.099 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C)CC2(C)C)cc1I ZINC000476525292 567332632 /nfs/dbraw/zinc/33/26/32/567332632.db2.gz ZBDJVKUFRYTWCS-UHFFFAOYSA-N 0 1 386.277 3.074 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)n[nH]1 ZINC000500611285 567333453 /nfs/dbraw/zinc/33/34/53/567333453.db2.gz ROUMZXNJBAKFRT-RKDXNWHRSA-N 0 1 384.253 3.006 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(I)c(C)cc2C)n[nH]1 ZINC000476545889 567333953 /nfs/dbraw/zinc/33/39/53/567333953.db2.gz VZKKOMQFYWTQBQ-JTQLQIEISA-N 0 1 398.248 3.080 20 0 GGADMN CC(C)(C)N1CC[C@@H](NCc2cc(Br)c3c(c2)OCCCO3)C1=O ZINC000568510664 567334260 /nfs/dbraw/zinc/33/42/60/567334260.db2.gz YZAHSSSJIRDUIZ-CQSZACIVSA-N 0 1 397.313 3.099 20 0 GGADMN C[C@H]1CC2(CN1CC(=O)c1c[nH]c3ncc(Br)cc13)CCOCC2 ZINC000660904606 567334290 /nfs/dbraw/zinc/33/42/90/567334290.db2.gz NZWJNAHTAKOGFB-LBPRGKRZSA-N 0 1 392.297 3.399 20 0 GGADMN Cc1[nH]ncc1CN(C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000639970516 567334715 /nfs/dbraw/zinc/33/47/15/567334715.db2.gz OXXDRIOPGYHUCM-UHFFFAOYSA-N 0 1 376.258 3.086 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)CN(Cc2cccs2)Cc2cccs2)C[C@H](C)O1 ZINC000592387205 567334693 /nfs/dbraw/zinc/33/46/93/567334693.db2.gz YVRSUUUKBJEHAH-IXDOHACOSA-N 0 1 380.579 3.282 20 0 GGADMN O=C(c1cc(C(F)F)[nH]n1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000639970899 567335190 /nfs/dbraw/zinc/33/51/90/567335190.db2.gz SEGHVTOJPNUZAC-UHFFFAOYSA-N 0 1 399.239 3.068 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1I ZINC000476560352 567335281 /nfs/dbraw/zinc/33/52/81/567335281.db2.gz GREGAQXBJMNGSX-STQMWFEESA-N 0 1 386.277 3.073 20 0 GGADMN CC(C)(C)N1CC[C@H](NCc2cc(Br)c3c(c2)OCCCO3)C1=O ZINC000568510663 567335377 /nfs/dbraw/zinc/33/53/77/567335377.db2.gz YZAHSSSJIRDUIZ-AWEZNQCLSA-N 0 1 397.313 3.099 20 0 GGADMN COCCO[C@H]1COCC[C@H]1NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000548597592 567335976 /nfs/dbraw/zinc/33/59/76/567335976.db2.gz MXBZYJGIBKRZSD-SJORKVTESA-N 0 1 382.913 3.374 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000592402881 567336284 /nfs/dbraw/zinc/33/62/84/567336284.db2.gz BIOLOXWNKNCXOH-ROUUACIJSA-N 0 1 382.957 3.270 20 0 GGADMN C[C@@H]1CN(Cc2cc(Br)cc(Br)c2N)C[C@H](C)[N@@H+]1C ZINC000568543614 567336480 /nfs/dbraw/zinc/33/64/80/567336480.db2.gz IPHOSOXQABVJRS-AOOOYVTPSA-N 0 1 391.151 3.318 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592402879 567336922 /nfs/dbraw/zinc/33/69/22/567336922.db2.gz BIOLOXWNKNCXOH-MSOLQXFVSA-N 0 1 382.957 3.270 20 0 GGADMN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592403343 567336969 /nfs/dbraw/zinc/33/69/69/567336969.db2.gz PUIMGBALUQJBPU-QZTJIDSGSA-N 0 1 385.335 3.374 20 0 GGADMN Cn1cnc2cc(NS(=O)(=O)c3cc(F)ccc3Br)ccc21 ZINC000434974652 567337921 /nfs/dbraw/zinc/33/79/21/567337921.db2.gz UOIMZKLLWDSJEV-UHFFFAOYSA-N 0 1 384.230 3.276 20 0 GGADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000527476720 567338547 /nfs/dbraw/zinc/33/85/47/567338547.db2.gz SHKJXYHNYOGAGP-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000660961027 567338717 /nfs/dbraw/zinc/33/87/17/567338717.db2.gz 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C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)C(F)(F)F ZINC000476636298 567341610 /nfs/dbraw/zinc/34/16/10/567341610.db2.gz PJROLGCXQIQUQU-YFKPBYRVSA-N 0 1 382.148 3.204 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2ccccc2Br)CCN1CCOC ZINC000500759048 567342201 /nfs/dbraw/zinc/34/22/01/567342201.db2.gz NSZPOEUAVXFTME-MRXNPFEDSA-N 0 1 398.345 3.091 20 0 GGADMN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624188 567343014 /nfs/dbraw/zinc/34/30/14/567343014.db2.gz GOKOWKKEXHOKGE-QLFBSQMISA-N 0 1 379.551 3.322 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(F)ccc1Br ZINC000435136354 567343023 /nfs/dbraw/zinc/34/30/23/567343023.db2.gz BAEQSPPLIDXBSN-UHFFFAOYSA-N 0 1 388.214 3.160 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624187 567343225 /nfs/dbraw/zinc/34/32/25/567343225.db2.gz GOKOWKKEXHOKGE-KFWWJZLASA-N 0 1 379.551 3.322 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1c(Cl)cncc1Cl ZINC000500778795 567343459 /nfs/dbraw/zinc/34/34/59/567343459.db2.gz MTKNTXZWFBJHJB-UHFFFAOYSA-N 0 1 378.219 3.016 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624191 567343685 /nfs/dbraw/zinc/34/36/85/567343685.db2.gz GOKOWKKEXHOKGE-RBSFLKMASA-N 0 1 379.551 3.322 20 0 GGADMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc(=NC3CC3)[nH]2)CC1 ZINC000476682065 567344175 /nfs/dbraw/zinc/34/41/75/567344175.db2.gz SAALVCDSFGCFNC-UHFFFAOYSA-N 0 1 376.913 3.064 20 0 GGADMN Cc1ccsc1-c1nnc(SCC2=Nc3ccccc3S(=O)(=O)N2)o1 ZINC000592566148 567344877 /nfs/dbraw/zinc/34/48/77/567344877.db2.gz JRPRUDZDNKXWGD-UHFFFAOYSA-N 0 1 392.487 3.221 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCc2c(Br)ccc(F)c2C1 ZINC000568632840 567344897 /nfs/dbraw/zinc/34/48/97/567344897.db2.gz IZCVNKSGBFKOEU-GOSISDBHSA-N 0 1 389.268 3.187 20 0 GGADMN COC(=O)[C@@H]1CNCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000592547699 567345132 /nfs/dbraw/zinc/34/51/32/567345132.db2.gz KBTSHLVZPWGOTM-NSHDSACASA-N 0 1 387.288 3.185 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c1 ZINC000435187849 567346180 /nfs/dbraw/zinc/34/61/80/567346180.db2.gz KRJGHDFQNMEMDS-UHFFFAOYSA-N 0 1 396.266 3.145 20 0 GGADMN COc1cc(CN[C@@H](C)c2cncc(Br)c2)ccc1OCCO ZINC000568664721 567346280 /nfs/dbraw/zinc/34/62/80/567346280.db2.gz RINRRKOFKFCZAN-LBPRGKRZSA-N 0 1 381.270 3.075 20 0 GGADMN Cn1cnc2cc(NS(=O)(=O)c3ccc(F)cc3Br)ccc21 ZINC000435197619 567346773 /nfs/dbraw/zinc/34/67/73/567346773.db2.gz TURAYYFGDWVWHB-UHFFFAOYSA-N 0 1 384.230 3.276 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)N1CCCC[C@H]1C ZINC000435207186 567347509 /nfs/dbraw/zinc/34/75/09/567347509.db2.gz KRUHIGAQGQJIGR-NEPJUHHUSA-N 0 1 393.322 3.129 20 0 GGADMN C[C@H](NC(=O)CN(CCOCCO)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000661102814 567348192 /nfs/dbraw/zinc/34/81/92/567348192.db2.gz AVLZIUTZCPFRTC-ZDUSSCGKSA-N 0 1 389.323 3.034 20 0 GGADMN C[C@@H](NC(=O)CN(CCOCCO)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000661102812 567348224 /nfs/dbraw/zinc/34/82/24/567348224.db2.gz AVLZIUTZCPFRTC-CYBMUJFWSA-N 0 1 389.323 3.034 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)c1Br ZINC000435208488 567348299 /nfs/dbraw/zinc/34/82/99/567348299.db2.gz RZUCXCGTJCFETL-KGLIPLIRSA-N 0 1 389.359 3.299 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1Br ZINC000435208490 567348357 /nfs/dbraw/zinc/34/83/57/567348357.db2.gz RZUCXCGTJCFETL-UONOGXRCSA-N 0 1 389.359 3.299 20 0 GGADMN CCOC(=O)c1csc(CCNc2noc3ccc(Br)cc32)n1 ZINC000568703254 567348847 /nfs/dbraw/zinc/34/88/47/567348847.db2.gz AIOCVEOPJMQEPR-UHFFFAOYSA-N 0 1 396.266 3.300 20 0 GGADMN COC(=O)Cc1occc1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000568701900 567348907 /nfs/dbraw/zinc/34/89/07/567348907.db2.gz SVDRLHUYNVOIQM-UHFFFAOYSA-N 0 1 388.601 3.369 20 0 GGADMN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(Br)cn1 ZINC000568706382 567348916 /nfs/dbraw/zinc/34/89/16/567348916.db2.gz QWLYMANFJDFFQL-LBPRGKRZSA-N 0 1 383.311 3.240 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000435229440 567350653 /nfs/dbraw/zinc/35/06/53/567350653.db2.gz HSHIPYNUWMRGMF-ZDUSSCGKSA-N 0 1 393.322 3.131 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)CCCCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000476824506 567351662 /nfs/dbraw/zinc/35/16/62/567351662.db2.gz HVUOZFGQMCQNGW-HOTGVXAUSA-N 0 1 397.357 3.075 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000548813224 567352330 /nfs/dbraw/zinc/35/23/30/567352330.db2.gz PETWWGZQFSUANX-LBPRGKRZSA-N 0 1 380.901 3.035 20 0 GGADMN O=C1[C@H]2CN(Cc3ccccc3Br)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000661181478 567354777 /nfs/dbraw/zinc/35/47/77/567354777.db2.gz WNHMRMMIUMEKCC-CALCHBBNSA-N 0 1 399.288 3.066 20 0 GGADMN FC(F)(F)CN1CC[C@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527640829 567355377 /nfs/dbraw/zinc/35/53/77/567355377.db2.gz NCGPMMFCYYHJMN-SECBINFHSA-N 0 1 386.643 3.471 20 0 GGADMN Cc1ccccc1-n1nccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000476908128 567356006 /nfs/dbraw/zinc/35/60/06/567356006.db2.gz JPXHCWWTKSSNJJ-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN Cn1c(CCNCc2ncc(Br)cc2F)nc2cc(F)ccc21 ZINC000527659823 567356577 /nfs/dbraw/zinc/35/65/77/567356577.db2.gz ATJFZHCSHDEDRI-UHFFFAOYSA-N 0 1 381.224 3.341 20 0 GGADMN Clc1cnc(CNC[C@H]2CCCN2c2cccnn2)c(Br)c1 ZINC000527655434 567356869 /nfs/dbraw/zinc/35/68/69/567356869.db2.gz FCRLXGNXJQCALL-GFCCVEGCSA-N 0 1 382.693 3.046 20 0 GGADMN Cn1cc(-c2nc(CNCCNc3ncc(Cl)cc3Cl)cs2)cn1 ZINC000527668092 567358531 /nfs/dbraw/zinc/35/85/31/567358531.db2.gz YXSOORZFSJCRHG-UHFFFAOYSA-N 0 1 383.308 3.447 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(O)cc(Br)c1 ZINC000527678173 567359491 /nfs/dbraw/zinc/35/94/91/567359491.db2.gz IYQBFIINVNNBLR-OAHLLOKOSA-N 0 1 379.254 3.315 20 0 GGADMN Cn1cc(-c2nc(CNCCOc3ncc(Cl)cc3Cl)cs2)cn1 ZINC000527673476 567360257 /nfs/dbraw/zinc/36/02/57/567360257.db2.gz GMXZHTVIZJQMIF-UHFFFAOYSA-N 0 1 384.292 3.414 20 0 GGADMN O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[C@@H](N2CCCCC2)C1 ZINC000435421376 567360693 /nfs/dbraw/zinc/36/06/93/567360693.db2.gz HJASODHGJNHGPC-GFCCVEGCSA-N 0 1 381.300 3.381 20 0 GGADMN Cc1ccn2ncc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)c2c1 ZINC000501056158 567360860 /nfs/dbraw/zinc/36/08/60/567360860.db2.gz JETMMRQKLTXMOR-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GGADMN CC(C)CS(=O)(=O)N1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC000527691009 567360916 /nfs/dbraw/zinc/36/09/16/567360916.db2.gz LLJBVVMTLRTKPR-UHFFFAOYSA-N 0 1 380.888 3.158 20 0 GGADMN O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000435421377 567361765 /nfs/dbraw/zinc/36/17/65/567361765.db2.gz HJASODHGJNHGPC-LBPRGKRZSA-N 0 1 381.300 3.381 20 0 GGADMN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(Br)c(F)c1F ZINC000527694099 567363347 /nfs/dbraw/zinc/36/33/47/567363347.db2.gz GEZLVCATAZOACQ-WFASDCNBSA-N 0 1 386.240 3.471 20 0 GGADMN CCn1cc([C@H]2OCCC[C@@H]2NCc2ncc(Br)cc2F)cn1 ZINC000527693672 567363573 /nfs/dbraw/zinc/36/35/73/567363573.db2.gz FQRAFIDMUZMMQT-GOEBONIOSA-N 0 1 383.265 3.210 20 0 GGADMN Clc1cnc(CNC2CCN(c3cccnn3)CC2)c(Br)c1 ZINC000527702083 567364443 /nfs/dbraw/zinc/36/44/43/567364443.db2.gz VQZTYHNBDSZQSU-UHFFFAOYSA-N 0 1 382.693 3.046 20 0 GGADMN Cc1cc(Br)c(CNC[C@@H]2CCCC(=O)N2)cc1Br ZINC000527700008 567364477 /nfs/dbraw/zinc/36/44/77/567364477.db2.gz IPPHOMKNBNZBFE-NSHDSACASA-N 0 1 390.119 3.278 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cc(F)c[nH]1 ZINC000456365240 567364570 /nfs/dbraw/zinc/36/45/70/567364570.db2.gz HQSWVYZDCUGDIK-NSHDSACASA-N 0 1 395.276 3.309 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCSC1 ZINC000456354182 567364782 /nfs/dbraw/zinc/36/47/82/567364782.db2.gz ABFPEBUFQTZXEQ-QWHCGFSZSA-N 0 1 398.370 3.281 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccco1 ZINC000456354965 567365469 /nfs/dbraw/zinc/36/54/69/567365469.db2.gz BVZHVVJEZLIMKY-GFCCVEGCSA-N 0 1 378.270 3.435 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+](C2CCCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435435882 567365587 /nfs/dbraw/zinc/36/55/87/567365587.db2.gz CQZQZNYWDQHIAE-LLVKDONJSA-N 0 1 381.300 3.428 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+](C2CCCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435435882 567365594 /nfs/dbraw/zinc/36/55/94/567365594.db2.gz CQZQZNYWDQHIAE-LLVKDONJSA-N 0 1 381.300 3.428 20 0 GGADMN CS[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456361772 567365607 /nfs/dbraw/zinc/36/56/07/567365607.db2.gz CNWYLZQRWLLRFT-RYUDHWBXSA-N 0 1 386.359 3.279 20 0 GGADMN O=S(=O)([N-]CC1CC[NH+](C2CC2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435437171 567365789 /nfs/dbraw/zinc/36/57/89/567365789.db2.gz IPRSTZZLNJYRNH-UHFFFAOYSA-N 0 1 381.300 3.285 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+](C2CCCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435435884 567365908 /nfs/dbraw/zinc/36/59/08/567365908.db2.gz CQZQZNYWDQHIAE-NSHDSACASA-N 0 1 381.300 3.428 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+](C2CCCC2)C1)c1c(Cl)cc(F)cc1Cl ZINC000435435884 567365915 /nfs/dbraw/zinc/36/59/15/567365915.db2.gz CQZQZNYWDQHIAE-NSHDSACASA-N 0 1 381.300 3.428 20 0 GGADMN CO[C@H](C)CCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456373969 567366552 /nfs/dbraw/zinc/36/65/52/567366552.db2.gz PMTWUAIDOOUCNC-ZIAGYGMSSA-N 0 1 398.345 3.343 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435435149 567366844 /nfs/dbraw/zinc/36/68/44/567366844.db2.gz WXBWEHVYTKJEHQ-ZETCQYMHSA-N 0 1 381.260 3.414 20 0 GGADMN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(Br)c1O ZINC000592826096 567366868 /nfs/dbraw/zinc/36/68/68/567366868.db2.gz BEYNKAVTSCUNLT-UHFFFAOYSA-N 0 1 381.201 3.005 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CC(F)(F)F ZINC000456367147 567366932 /nfs/dbraw/zinc/36/69/32/567366932.db2.gz JOIXUNKQNLAYPH-JTQLQIEISA-N 0 1 394.235 3.480 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)on1 ZINC000456370850 567367037 /nfs/dbraw/zinc/36/70/37/567367037.db2.gz MUEQYTPAUPUNAX-GFCCVEGCSA-N 0 1 393.285 3.138 20 0 GGADMN COc1cc(CNCCS(=O)(=O)c2cccc(Br)c2)ccc1C ZINC000568947717 567367246 /nfs/dbraw/zinc/36/72/46/567367246.db2.gz RPQDMVAXFHHPBZ-UHFFFAOYSA-N 0 1 398.322 3.330 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3nn(C)cc3Br)n2)cc1 ZINC000549009829 567367336 /nfs/dbraw/zinc/36/73/36/567367336.db2.gz JBFOUPYWEQHNKU-UHFFFAOYSA-N 0 1 380.271 3.269 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CC1(F)F ZINC000456371839 567367447 /nfs/dbraw/zinc/36/74/47/567367447.db2.gz NGPQAYJWOVMBNM-ZYHUDNBSSA-N 0 1 388.256 3.183 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccccn1 ZINC000456373625 567367671 /nfs/dbraw/zinc/36/76/71/567367671.db2.gz OYVKEVNBKJBFIL-CYBMUJFWSA-N 0 1 389.297 3.237 20 0 GGADMN COc1cc(Br)c(CNc2cnccc2-n2cccn2)cc1O ZINC000568933130 567368246 /nfs/dbraw/zinc/36/82/46/567368246.db2.gz KOVQFHDPNYYLQP-UHFFFAOYSA-N 0 1 375.226 3.356 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Br)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000592845577 567368502 /nfs/dbraw/zinc/36/85/02/567368502.db2.gz YIJYSTLPVGKXTM-MRVPVSSYSA-N 0 1 376.210 3.228 20 0 GGADMN O=C(NCc1cnn(Cc2ccccc2)c1)c1cccc(Br)c1O ZINC000592848203 567368559 /nfs/dbraw/zinc/36/85/59/567368559.db2.gz LSGCXQFBGLBBEX-UHFFFAOYSA-N 0 1 386.249 3.330 20 0 GGADMN Brc1ccc(-c2n[nH]cc2CNCc2n[nH]c(C3CC3)n2)s1 ZINC000527714450 567368610 /nfs/dbraw/zinc/36/86/10/567368610.db2.gz ZBPAMGGOJTXDFB-UHFFFAOYSA-N 0 1 379.287 3.186 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(Br)c1[O-])[N@@H+]1CCc2sccc2C1 ZINC000592832419 567368673 /nfs/dbraw/zinc/36/86/73/567368673.db2.gz AJFQJTQUWMYCGN-NSHDSACASA-N 0 1 395.322 3.393 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(Br)c1[O-])[N@H+]1CCc2sccc2C1 ZINC000592832419 567368678 /nfs/dbraw/zinc/36/86/78/567368678.db2.gz AJFQJTQUWMYCGN-NSHDSACASA-N 0 1 395.322 3.393 20 0 GGADMN COc1ccc([C@@H](CO)CNCc2ncc(Cl)cc2Br)cc1 ZINC000527716841 567368881 /nfs/dbraw/zinc/36/88/81/567368881.db2.gz CLNUSHILMTZKMH-GFCCVEGCSA-N 0 1 385.689 3.372 20 0 GGADMN Cn1nccc1[C@H]1C[C@@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527715387 567369059 /nfs/dbraw/zinc/36/90/59/567369059.db2.gz GHYIMGFEYOVTAZ-XHDPSFHLSA-N 0 1 385.693 3.241 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)c1cc(OC)c(OC)cc1Br ZINC000456376862 567369374 /nfs/dbraw/zinc/36/93/74/567369374.db2.gz LASTVVKWIKVPOE-GFCCVEGCSA-N 0 1 385.302 3.023 20 0 GGADMN O=C(NCC[N@@H+]1CCc2sccc2C1)c1cccc(Br)c1[O-] ZINC000592848941 567370015 /nfs/dbraw/zinc/37/00/15/567370015.db2.gz CQGGWBWCPHUKOP-UHFFFAOYSA-N 0 1 381.295 3.004 20 0 GGADMN O=C(NCC[N@H+]1CCc2sccc2C1)c1cccc(Br)c1[O-] ZINC000592848941 567370021 /nfs/dbraw/zinc/37/00/21/567370021.db2.gz CQGGWBWCPHUKOP-UHFFFAOYSA-N 0 1 381.295 3.004 20 0 GGADMN CCc1cccc(NC(=O)CNC(=O)c2cccc(Br)c2O)c1 ZINC000592862636 567370228 /nfs/dbraw/zinc/37/02/28/567370228.db2.gz PFGCFDDXNWBETP-UHFFFAOYSA-N 0 1 377.238 3.086 20 0 GGADMN CC(C)(CNCc1ncc(Cl)cc1Br)C1(O)CCOCC1 ZINC000527721941 567370469 /nfs/dbraw/zinc/37/04/69/567370469.db2.gz SCNPFIQNHYLGLU-UHFFFAOYSA-N 0 1 377.710 3.155 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@H]2C[C@H]2C2CC2)CC1 ZINC000501215577 567372526 /nfs/dbraw/zinc/37/25/26/567372526.db2.gz CZJVENJZQMWGIO-GJZGRUSLSA-N 0 1 378.314 3.186 20 0 GGADMN CCCCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501215183 567372899 /nfs/dbraw/zinc/37/28/99/567372899.db2.gz BTUHLEXHOBNHGR-AWEZNQCLSA-N 0 1 398.345 3.345 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H]1N1CCCC1 ZINC000477134960 567373438 /nfs/dbraw/zinc/37/34/38/567373438.db2.gz IWTXAKKHSLCYEI-MOPGFXCFSA-N 0 1 376.547 3.040 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)C2CC(F)(F)C2)CC1 ZINC000501231039 567373560 /nfs/dbraw/zinc/37/35/60/567373560.db2.gz SZMHMHVODCBRKD-UHFFFAOYSA-N 0 1 388.256 3.185 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)C2CCSCC2)CC1 ZINC000501225827 567373988 /nfs/dbraw/zinc/37/39/88/567373988.db2.gz HDUCGOIJSXKABK-UHFFFAOYSA-N 0 1 398.370 3.283 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCCS2)CC1 ZINC000501230045 567374225 /nfs/dbraw/zinc/37/42/25/567374225.db2.gz UQFZKTIYSAXDKG-HNNXBMFYSA-N 0 1 384.343 3.035 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)C[C@@H]2CCCCO2)CC1 ZINC000501226011 567374249 /nfs/dbraw/zinc/37/42/49/567374249.db2.gz IARXXYQOEGUKTO-HNNXBMFYSA-N 0 1 396.329 3.099 20 0 GGADMN Cc1nc2c(cccc2C(=O)N(CCO)Cc2ccc(Br)s2)[nH]1 ZINC000549102561 567374318 /nfs/dbraw/zinc/37/43/18/567374318.db2.gz JAAONRNBYUPSGW-UHFFFAOYSA-N 0 1 394.294 3.330 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1C[C@]1(C)OC(C)C ZINC000527801493 567374822 /nfs/dbraw/zinc/37/48/22/567374822.db2.gz JRMYJQZMKYZQDS-XZOAIXRZSA-N 0 1 399.329 3.008 20 0 GGADMN CC[C@@H](SC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501247352 567374939 /nfs/dbraw/zinc/37/49/39/567374939.db2.gz ITBIJOGSCNMAPU-OAHLLOKOSA-N 0 1 386.359 3.281 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1N1CCCC1 ZINC000477142855 567375268 /nfs/dbraw/zinc/37/52/68/567375268.db2.gz ONGCMSZVNBQTPS-KBPBESRZSA-N 0 1 395.377 3.194 20 0 GGADMN CC(C)Cc1nc(=NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)s[n-]1 ZINC000618350097 567376001 /nfs/dbraw/zinc/37/60/01/567376001.db2.gz PWWVZAFTBWSVHT-GHMZBOCLSA-N 0 1 378.464 3.006 20 0 GGADMN C[C@H](NC(=O)CCc1cnc[nH]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000501275800 567376223 /nfs/dbraw/zinc/37/62/23/567376223.db2.gz OZXMRVGMXNTSSK-JTQLQIEISA-N 0 1 390.241 3.032 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(COC)c2)cc1 ZINC000569057940 567376350 /nfs/dbraw/zinc/37/63/50/567376350.db2.gz KEORMYZBTFXZRK-UHFFFAOYSA-N 0 1 383.853 3.464 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)nc1C ZINC000593007778 567376823 /nfs/dbraw/zinc/37/68/23/567376823.db2.gz PUFQDGQHUAWKSD-NXEZZACHSA-N 0 1 380.388 3.314 20 0 GGADMN C[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CCO ZINC000661487426 567376755 /nfs/dbraw/zinc/37/67/55/567376755.db2.gz OTCGOLMFSLJROI-BXUZGUMPSA-N 0 1 376.831 3.363 20 0 GGADMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)[C@H]1CCO ZINC000661487916 567376985 /nfs/dbraw/zinc/37/69/85/567376985.db2.gz IHKUBDWZVVIGSL-DOMZBBRYSA-N 0 1 380.286 3.482 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)nc1C ZINC000593007779 567377042 /nfs/dbraw/zinc/37/70/42/567377042.db2.gz PUFQDGQHUAWKSD-UWVGGRQHSA-N 0 1 380.388 3.314 20 0 GGADMN C[C@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CCO ZINC000661487716 567377503 /nfs/dbraw/zinc/37/75/03/567377503.db2.gz HYHMPVCTCRKYHO-SWLSCSKDSA-N 0 1 380.286 3.482 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000569083847 567377860 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COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000527889652 567381195 /nfs/dbraw/zinc/38/11/95/567381195.db2.gz AGWNNCCJBQFEIH-CIISACIHSA-N 0 1 394.256 3.198 20 0 GGADMN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc(F)c(Br)cc2F)C1 ZINC000527871319 567381916 /nfs/dbraw/zinc/38/19/16/567381916.db2.gz IFSIAIFIODEPOU-UWVGGRQHSA-N 0 1 376.245 3.182 20 0 GGADMN C[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc(F)c(Br)cc1F ZINC000527875008 567381954 /nfs/dbraw/zinc/38/19/54/567381954.db2.gz AEIRGIPZZPVVBT-WMFXKJRFSA-N 0 1 391.256 3.014 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc(F)c(Br)cc1F ZINC000527889654 567382166 /nfs/dbraw/zinc/38/21/66/567382166.db2.gz AGWNNCCJBQFEIH-UHNFBRDESA-N 0 1 394.256 3.198 20 0 GGADMN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527894072 567382217 /nfs/dbraw/zinc/38/22/17/567382217.db2.gz SPRDSXGEOBMOHL-OLZOCXBDSA-N 0 1 390.316 3.404 20 0 GGADMN O=C1CC[C@H]2CN(Cc3ncc(-c4ccccc4Br)o3)CC[C@@H]2N1 ZINC000661601739 567382261 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CCc1nc([C@@H](C)NC(=O)c2cc3sc(N(CC)CC)nc3s2)n[nH]1 ZINC000477238234 567383130 /nfs/dbraw/zinc/38/31/30/567383130.db2.gz WRPOUJGWCLINPU-SECBINFHSA-N 0 1 378.527 3.376 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000501350512 567383293 /nfs/dbraw/zinc/38/32/93/567383293.db2.gz DFUKDUBTJUOYQG-UHFFFAOYSA-N 0 1 383.401 3.198 20 0 GGADMN COCCOc1c(Cl)cc(S(=O)(=O)Nc2cccnc2)cc1Cl ZINC000569166705 567383483 /nfs/dbraw/zinc/38/34/83/567383483.db2.gz GOXPUIQGGTYDMM-UHFFFAOYSA-N 0 1 377.249 3.214 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000640558652 567383893 /nfs/dbraw/zinc/38/38/93/567383893.db2.gz CQSQKAFCFAHCKN-UHFFFAOYSA-N 0 1 389.297 3.496 20 0 GGADMN CC(C)(C)c1nc(CN2CCOC[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000661642498 567384568 /nfs/dbraw/zinc/38/45/68/567384568.db2.gz FOOMUOKNHLILIC-AWEZNQCLSA-N 0 1 379.302 3.438 20 0 GGADMN CCOC(=O)c1csc(N(C)C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000593081934 567385803 /nfs/dbraw/zinc/38/58/03/567385803.db2.gz PCNLRFBKPPXPSK-VHSXEESVSA-N 0 1 380.388 3.030 20 0 GGADMN C[C@H](NC(=O)Nc1cc(CN(C)C)ccn1)c1ccc(Br)cn1 ZINC000640569867 567385859 /nfs/dbraw/zinc/38/58/59/567385859.db2.gz XGYZDEOQEHKTCN-NSHDSACASA-N 0 1 378.274 3.183 20 0 GGADMN CN(CCNCc1ccc(C(F)(F)F)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000435730213 567386097 /nfs/dbraw/zinc/38/60/97/567386097.db2.gz GQWDRADOQAADQQ-UHFFFAOYSA-N 0 1 396.431 3.316 20 0 GGADMN Cc1ccc2nc(CNC[C@H](O)COc3ccc(Cl)cc3Cl)cn2c1 ZINC000569213902 567386266 /nfs/dbraw/zinc/38/62/66/567386266.db2.gz HVKQZBCIPIWRLI-HNNXBMFYSA-N 0 1 380.275 3.479 20 0 GGADMN Cc1ccc2nc(CNC[C@@H](O)COc3ccc(Cl)cc3Cl)cn2c1 ZINC000569213903 567386359 /nfs/dbraw/zinc/38/63/59/567386359.db2.gz HVKQZBCIPIWRLI-OAHLLOKOSA-N 0 1 380.275 3.479 20 0 GGADMN O=S(=O)(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1c(F)cccc1F ZINC000501416943 567386405 /nfs/dbraw/zinc/38/64/05/567386405.db2.gz ZLZZODONGAJLLH-KRWDZBQOSA-N 0 1 387.835 3.298 20 0 GGADMN CN(CC1=CCCOC1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000618380132 567386519 /nfs/dbraw/zinc/38/65/19/567386519.db2.gz XMPARAMUWIMHOV-UHFFFAOYSA-N 0 1 376.254 3.258 20 0 GGADMN C[C@H](CCO)N(C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000593107437 567386746 /nfs/dbraw/zinc/38/67/46/567386746.db2.gz DBDCAIRRYKSSGR-LLVKDONJSA-N 0 1 386.233 3.149 20 0 GGADMN CCc1nc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)sc1C(=O)OC ZINC000593105648 567386947 /nfs/dbraw/zinc/38/69/47/567386947.db2.gz TZNMNFALIZWSCA-BDAKNGLRSA-N 0 1 380.388 3.178 20 0 GGADMN O=S(=O)(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1c(F)cccc1F ZINC000501416947 567387248 /nfs/dbraw/zinc/38/72/48/567387248.db2.gz ZLZZODONGAJLLH-QGZVFWFLSA-N 0 1 387.835 3.298 20 0 GGADMN COc1ccccc1CCNC(=O)CNCc1ccc(Br)c(C)c1 ZINC000435749016 567387354 /nfs/dbraw/zinc/38/73/54/567387354.db2.gz HXWPYVIBBNJHIA-UHFFFAOYSA-N 0 1 391.309 3.215 20 0 GGADMN Cc1c([C@H](C)NCC23CC(C2)CO3)nnn1-c1cccc(Br)c1 ZINC000527985242 567387666 /nfs/dbraw/zinc/38/76/66/567387666.db2.gz UDSIWEMJCYZZHT-BLQFLSLASA-N 0 1 377.286 3.168 20 0 GGADMN CCn1cc(Br)cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000549370087 567387730 /nfs/dbraw/zinc/38/77/30/567387730.db2.gz MJVIKZHMMJSTCU-UHFFFAOYSA-N 0 1 376.258 3.465 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000477309563 567387974 /nfs/dbraw/zinc/38/79/74/567387974.db2.gz PXQZBDGKGAOANJ-VHSXEESVSA-N 0 1 383.265 3.325 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCc2ccnn2C)CC1 ZINC000549350999 567388275 /nfs/dbraw/zinc/38/82/75/567388275.db2.gz FLSIUNXETNSSRX-OAHLLOKOSA-N 0 1 377.330 3.104 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000477309564 567388556 /nfs/dbraw/zinc/38/85/56/567388556.db2.gz PXQZBDGKGAOANJ-ZJUUUORDSA-N 0 1 383.265 3.325 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C2=Cc3cc(Br)ccc3OC2)n[nH]1 ZINC000477322990 567388622 /nfs/dbraw/zinc/38/86/22/567388622.db2.gz ONFBTSXDUCJDTQ-JTQLQIEISA-N 0 1 391.269 3.344 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000456526878 567388554 /nfs/dbraw/zinc/38/85/54/567388554.db2.gz IWUBVUZXIKCYNR-CQSZACIVSA-N 0 1 391.313 3.191 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000456526877 567388695 /nfs/dbraw/zinc/38/86/95/567388695.db2.gz IWUBVUZXIKCYNR-AWEZNQCLSA-N 0 1 391.313 3.191 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000456525770 567388727 /nfs/dbraw/zinc/38/87/27/567388727.db2.gz QZPCCHAMNLWZBA-LBPRGKRZSA-N 0 1 385.302 3.023 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000456517649 567388819 /nfs/dbraw/zinc/38/88/19/567388819.db2.gz GGWUBILZDPYYJF-CQSZACIVSA-N 0 1 391.313 3.191 20 0 GGADMN Cc1cc(N(CCN2CCCCC2)S(C)(=O)=O)ccc1Br ZINC000435788819 567389092 /nfs/dbraw/zinc/38/90/92/567389092.db2.gz GICNQGGARNBCRM-UHFFFAOYSA-N 0 1 375.332 3.009 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000569248034 567389175 /nfs/dbraw/zinc/38/91/75/567389175.db2.gz YQGYVDYWPCPCDL-IRXDYDNUSA-N 0 1 381.314 3.051 20 0 GGADMN CN(CCn1cc(Br)cn1)C(=O)c1cccc(C(F)(F)F)c1O ZINC000569238313 567389280 /nfs/dbraw/zinc/38/92/80/567389280.db2.gz MINYHRGRVSYIQA-UHFFFAOYSA-N 0 1 392.175 3.142 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)NC)CC1 ZINC000569234668 567389410 /nfs/dbraw/zinc/38/94/10/567389410.db2.gz GZGPIRKJIWYLST-KRWDZBQOSA-N 0 1 382.346 3.044 20 0 GGADMN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000477336754 567389335 /nfs/dbraw/zinc/38/93/35/567389335.db2.gz BYBIIANFHRKBCW-UHFFFAOYSA-N 0 1 384.251 3.294 20 0 GGADMN CC(=O)NCCN(Cc1ccc(Br)cc1F)C1CCSCC1 ZINC000549408404 567389468 /nfs/dbraw/zinc/38/94/68/567389468.db2.gz LQVHNWGKQLKGLB-UHFFFAOYSA-N 0 1 389.334 3.422 20 0 GGADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000549389188 567389762 /nfs/dbraw/zinc/38/97/62/567389762.db2.gz WBXCSRKBHSLNRK-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477343092 567390039 /nfs/dbraw/zinc/39/00/39/567390039.db2.gz VRQYOBHOHUIVHL-UHFFFAOYSA-N 0 1 378.431 3.143 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cccc(F)c1Br ZINC000501453740 567389997 /nfs/dbraw/zinc/38/99/97/567389997.db2.gz JXHVZSXLJICWJU-AWEZNQCLSA-N 0 1 389.228 3.420 20 0 GGADMN O=C(Nc1ccccc1Br)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000569255605 567390628 /nfs/dbraw/zinc/39/06/28/567390628.db2.gz AQUQAXSXQCLXNH-CQSZACIVSA-N 0 1 382.302 3.168 20 0 GGADMN CC[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000569249348 567390692 /nfs/dbraw/zinc/39/06/92/567390692.db2.gz GHXLRVVMCPSEDL-SMDDNHRTSA-N 0 1 395.750 3.177 20 0 GGADMN O[C@H](COCc1ccco1)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466369 567392642 /nfs/dbraw/zinc/39/26/42/567392642.db2.gz FBRPYROLWMKYGL-SRVKXCTJSA-N 0 1 375.309 3.220 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cccc(Cl)c1Cl ZINC000435865382 567392948 /nfs/dbraw/zinc/39/29/48/567392948.db2.gz PJIBGFDLJVYMKL-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(Br)c(Cl)c1F ZINC000435873097 567393098 /nfs/dbraw/zinc/39/30/98/567393098.db2.gz SYSLMOQMDGRAAM-UHFFFAOYSA-N 0 1 395.619 3.497 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000435866504 567393143 /nfs/dbraw/zinc/39/31/43/567393143.db2.gz VUHRWESRZCGYIF-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN O=S(=O)(Cc1ccon1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000569321260 567396089 /nfs/dbraw/zinc/39/60/89/567396089.db2.gz KWWMJGLTZZLZND-HNNXBMFYSA-N 0 1 380.857 3.261 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000618533295 567397186 /nfs/dbraw/zinc/39/71/86/567397186.db2.gz HFDXVNYYLIHBJQ-NPMABZOXSA-N 0 1 395.322 3.446 20 0 GGADMN Cc1ccc(I)cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000477495390 567397760 /nfs/dbraw/zinc/39/77/60/567397760.db2.gz ZNMFNCZOYDPOJA-UHFFFAOYSA-N 0 1 398.288 3.300 20 0 GGADMN CCNCc1cn(Cc2csc(-c3ccc(Br)cc3)n2)nn1 ZINC000640845622 567398184 /nfs/dbraw/zinc/39/81/84/567398184.db2.gz VANSTKVDBQHXNQ-UHFFFAOYSA-N 0 1 378.299 3.322 20 0 GGADMN CN[C@H](C)c1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640887383 567400181 /nfs/dbraw/zinc/40/01/81/567400181.db2.gz OGVGARWEZPUDOR-RKDXNWHRSA-N 0 1 375.782 3.430 20 0 GGADMN CC1(N2CCOCC2)CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000528191500 567400413 /nfs/dbraw/zinc/40/04/13/567400413.db2.gz VSMSEQHDIHOPQO-UHFFFAOYSA-N 0 1 391.313 3.083 20 0 GGADMN CNC(C)(C)c1cn([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640907193 567401256 /nfs/dbraw/zinc/40/12/56/567401256.db2.gz NCZAGOIQFIIDEY-LLVKDONJSA-N 0 1 380.290 3.003 20 0 GGADMN CNC(C)(C)c1cn([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640907194 567401385 /nfs/dbraw/zinc/40/13/85/567401385.db2.gz NCZAGOIQFIIDEY-NSHDSACASA-N 0 1 380.290 3.003 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccccc1-n1c(C)c[nH]c1=O ZINC000436021637 567401899 /nfs/dbraw/zinc/40/18/99/567401899.db2.gz WIBWCOBJARJXLI-UHFFFAOYSA-N 0 1 375.475 3.409 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000436028164 567402154 /nfs/dbraw/zinc/40/21/54/567402154.db2.gz OIJTVNYKJUVVHP-UHFFFAOYSA-N 0 1 380.466 3.475 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)cc1Br)NCCN1CCCCC1 ZINC000501679126 567402165 /nfs/dbraw/zinc/40/21/65/567402165.db2.gz YBAKSPAABRMXES-UHFFFAOYSA-N 0 1 395.750 3.008 20 0 GGADMN C[C@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CCN1CC(C)(C)O ZINC000436035270 567402402 /nfs/dbraw/zinc/40/24/02/567402402.db2.gz GAPWFZLJHZYWCN-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCOc2ccc(C)cc2Br)n[nH]1 ZINC000477569888 567402947 /nfs/dbraw/zinc/40/29/47/567402947.db2.gz OSQIWOSCFWMSCH-LLVKDONJSA-N 0 1 381.274 3.084 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000569429291 567403575 /nfs/dbraw/zinc/40/35/75/567403575.db2.gz QDPUVDWEZPYJPG-HNNXBMFYSA-N 0 1 382.961 3.451 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)C2)n1 ZINC000569434602 567403994 /nfs/dbraw/zinc/40/39/94/567403994.db2.gz DSZMIQXOIGPUEB-ZYHUDNBSSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1nnc([C@@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000569434602 567403998 /nfs/dbraw/zinc/40/39/98/567403998.db2.gz DSZMIQXOIGPUEB-ZYHUDNBSSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1n[nH]c([C@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)C2)n1 ZINC000569434601 567404205 /nfs/dbraw/zinc/40/42/05/567404205.db2.gz DSZMIQXOIGPUEB-PWSUYJOCSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1nnc([C@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000569434601 567404210 /nfs/dbraw/zinc/40/42/10/567404210.db2.gz DSZMIQXOIGPUEB-PWSUYJOCSA-N 0 1 382.295 3.087 20 0 GGADMN CCNCc1cn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640997018 567405893 /nfs/dbraw/zinc/40/58/93/567405893.db2.gz DGJXFSQRTLIXGE-MRXNPFEDSA-N 0 1 382.295 3.058 20 0 GGADMN CNC(C)(C)c1cn(Cc2cc(Br)ccc2OC(F)F)nn1 ZINC000641010253 567406044 /nfs/dbraw/zinc/40/60/44/567406044.db2.gz RIVHDUBXLAQWLS-UHFFFAOYSA-N 0 1 375.217 3.145 20 0 GGADMN O=C1CCCN1C[C@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000662052665 567406056 /nfs/dbraw/zinc/40/60/56/567406056.db2.gz COZDUJDCBQQNFS-LBPRGKRZSA-N 0 1 378.270 3.035 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)[C@H](C(=O)[O-])C1 ZINC000569465810 567406964 /nfs/dbraw/zinc/40/69/64/567406964.db2.gz JOOMXULQGSDARL-FZMZJTMJSA-N 0 1 384.270 3.296 20 0 GGADMN O=C(Nc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1)c1cccs1 ZINC000501843044 567407834 /nfs/dbraw/zinc/40/78/34/567407834.db2.gz QHOJPVMCZROFOG-UHFFFAOYSA-N 0 1 377.422 3.335 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000501837190 567408209 /nfs/dbraw/zinc/40/82/09/567408209.db2.gz ASYVUOKEUYQEAY-UHFFFAOYSA-N 0 1 394.243 3.237 20 0 GGADMN CNC(C)(C)c1cn(Cc2ncc(-c3ccccc3Br)o2)nn1 ZINC000641063521 567409005 /nfs/dbraw/zinc/40/90/05/567409005.db2.gz HKRPNRGOYHXNLK-UHFFFAOYSA-N 0 1 376.258 3.198 20 0 GGADMN Cc1cc(CC(=O)N[C@@H](C)CCc2ccc(I)cc2)[nH]n1 ZINC000477681671 567409326 /nfs/dbraw/zinc/40/93/26/567409326.db2.gz VJYSWAAPVKEOMJ-NSHDSACASA-N 0 1 397.260 3.003 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c1 ZINC000436162603 567409603 /nfs/dbraw/zinc/40/96/03/567409603.db2.gz SPPFJMRDYPKKJD-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN O=C1NC[C@@H]2CN(Cc3ccc(-c4ccccc4Br)cc3)CCN12 ZINC000549802385 567411709 /nfs/dbraw/zinc/41/17/09/567411709.db2.gz XQIDDWKUHCXFNY-MRXNPFEDSA-N 0 1 386.293 3.326 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000501894965 567411821 /nfs/dbraw/zinc/41/18/21/567411821.db2.gz BFOASRVTSDANNL-RKVPGOIHSA-N 0 1 395.341 3.092 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cn(CCSc3cccc(Cl)c3)nn2)CC1 ZINC000641111840 567412087 /nfs/dbraw/zinc/41/20/87/567412087.db2.gz AZBYIZPPOIHJHS-UHFFFAOYSA-N 0 1 380.901 3.020 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000501894966 567412292 /nfs/dbraw/zinc/41/22/92/567412292.db2.gz BFOASRVTSDANNL-RVKKMQEKSA-N 0 1 395.341 3.092 20 0 GGADMN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(OC)ccc1Cl ZINC000436181642 567412319 /nfs/dbraw/zinc/41/23/19/567412319.db2.gz SKPQVODKTQJTQR-UHFFFAOYSA-N 0 1 375.855 3.306 20 0 GGADMN CN(Cc1ccc(Br)o1)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000662143484 567413182 /nfs/dbraw/zinc/41/31/82/567413182.db2.gz LRQFOWJZGPVLLR-OAHLLOKOSA-N 0 1 392.297 3.458 20 0 GGADMN COC1CCN(C2(CNS(=O)(=O)c3sccc3Cl)CCCC2)CC1 ZINC000569556462 567413511 /nfs/dbraw/zinc/41/35/11/567413511.db2.gz PIARZWZOZBGEEY-UHFFFAOYSA-N 0 1 392.974 3.103 20 0 GGADMN C[S@](=O)c1ccc(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000436208707 567413871 /nfs/dbraw/zinc/41/38/71/567413871.db2.gz JQDFXPQOYZJALX-QHCPKHFHSA-N 0 1 392.278 3.244 20 0 GGADMN CC(=O)NCCN(Cc1cnc(-c2ccccn2)s1)C1CCSCC1 ZINC000549850319 567413977 /nfs/dbraw/zinc/41/39/77/567413977.db2.gz SSEVZYQHNJPVFO-UHFFFAOYSA-N 0 1 376.551 3.039 20 0 GGADMN CN[C@@H](C)c1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641117279 567414422 /nfs/dbraw/zinc/41/44/22/567414422.db2.gz RKEPSHDCKTUQOZ-VIFPVBQESA-N 0 1 393.207 3.310 20 0 GGADMN O=S(=O)(CCNCc1cc(Cl)cc(C(F)(F)F)c1)NCC1CCC1 ZINC000436227155 567415914 /nfs/dbraw/zinc/41/59/14/567415914.db2.gz KIOZYBSTCZGBRY-UHFFFAOYSA-N 0 1 384.851 3.168 20 0 GGADMN C[C@@H]1C[C@@H](N=c2nc[nH]c3cc(I)sc32)C[C@H](C)O1 ZINC000593471089 567416845 /nfs/dbraw/zinc/41/68/45/567416845.db2.gz XUUZPKIEWPCRIR-AYMMMOKOSA-N 0 1 389.262 3.086 20 0 GGADMN Cc1cc(Br)cn2c(CN[C@H](CC(N)=O)c3ccccc3)cnc12 ZINC000549907352 567416892 /nfs/dbraw/zinc/41/68/92/567416892.db2.gz JCXOIPOZJSHHIN-MRXNPFEDSA-N 0 1 387.281 3.112 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000662221807 567417277 /nfs/dbraw/zinc/41/72/77/567417277.db2.gz FIIYTIZSICVNOL-UHFFFAOYSA-N 0 1 375.296 3.385 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662221807 567417278 /nfs/dbraw/zinc/41/72/78/567417278.db2.gz FIIYTIZSICVNOL-UHFFFAOYSA-N 0 1 375.296 3.385 20 0 GGADMN COc1ncc(Br)cc1C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000662211183 567417512 /nfs/dbraw/zinc/41/75/12/567417512.db2.gz DNUUETYMRBWSCW-CVEARBPZSA-N 0 1 391.265 3.153 20 0 GGADMN Cc1nnc(SCC(=O)N2CC(C)(C)c3ccc(Br)cc32)[nH]1 ZINC000618857444 567417640 /nfs/dbraw/zinc/41/76/40/567417640.db2.gz VAXMMXISBRKYMP-UHFFFAOYSA-N 0 1 381.299 3.292 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CC(C)(C)c3ccc(Br)cc32)n1 ZINC000618857444 567417647 /nfs/dbraw/zinc/41/76/47/567417647.db2.gz VAXMMXISBRKYMP-UHFFFAOYSA-N 0 1 381.299 3.292 20 0 GGADMN CC1(C)CN(C(=O)[C@@H]2CCCc3n[nH]nc32)c2cc(Br)ccc21 ZINC000618856622 567418115 /nfs/dbraw/zinc/41/81/15/567418115.db2.gz AAHXRHQRJLPOGH-LLVKDONJSA-N 0 1 375.270 3.312 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)co1 ZINC000436319831 567418690 /nfs/dbraw/zinc/41/86/90/567418690.db2.gz TXDVBKYAEDBBRF-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN O=C1[C@@H](N2CCC(n3cc(Br)cn3)CC2)CCN1C1CCCCC1 ZINC000528379595 567418707 /nfs/dbraw/zinc/41/87/07/567418707.db2.gz LNXYKMUQUWMONF-KRWDZBQOSA-N 0 1 395.345 3.216 20 0 GGADMN Cc1cc(Br)c(Cn2cc([C@H](N)[C@@H]3CCCO3)nn2)cc1Cl ZINC000641170848 567418962 /nfs/dbraw/zinc/41/89/62/567418962.db2.gz IVPVKUBGSWBQDF-GJZGRUSLSA-N 0 1 385.693 3.230 20 0 GGADMN CCSc1ccc(Cn2cc([C@@H](N)[C@H]3CCCO3)nn2)c(Br)c1 ZINC000641186789 567419018 /nfs/dbraw/zinc/41/90/18/567419018.db2.gz KQKASANPRLMQHD-HZPDHXFCSA-N 0 1 397.342 3.380 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1cc(Cl)sc1Cl ZINC000436334079 567419111 /nfs/dbraw/zinc/41/91/11/567419111.db2.gz RQPOKHOAOYDUAE-JTQLQIEISA-N 0 1 380.341 3.042 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000662228073 567419388 /nfs/dbraw/zinc/41/93/88/567419388.db2.gz UCLZFAHPRDWSNF-UHFFFAOYSA-N 0 1 393.228 3.099 20 0 GGADMN CCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ncc(C(=O)OC)s1 ZINC000593491717 567419622 /nfs/dbraw/zinc/41/96/22/567419622.db2.gz NAFBNNAYGCWJJM-NXEZZACHSA-N 0 1 380.388 3.030 20 0 GGADMN Cc1noc(C2CCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000618878188 567420714 /nfs/dbraw/zinc/42/07/14/567420714.db2.gz MUZCTQJNJIZLEV-CYBMUJFWSA-N 0 1 386.279 3.304 20 0 GGADMN COc1cc2c(c(CN(C)CCn3cc(Br)cn3)c1)O[C@@H](C)C2 ZINC000569650468 567421537 /nfs/dbraw/zinc/42/15/37/567421537.db2.gz KUAQOEKGMZKBAI-LBPRGKRZSA-N 0 1 380.286 3.110 20 0 GGADMN C[C@H](CNC(=O)c1scc(Br)c1Br)N1CCCC1 ZINC000528427954 567421587 /nfs/dbraw/zinc/42/15/87/567421587.db2.gz BFDLTVLQUACREU-MRVPVSSYSA-N 0 1 396.148 3.487 20 0 GGADMN FC(F)(F)CSCCNCc1cn(-c2ccccc2Br)nn1 ZINC000569652093 567421567 /nfs/dbraw/zinc/42/15/67/567421567.db2.gz XQQATVFRWCKYDV-UHFFFAOYSA-N 0 1 395.248 3.415 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1ccc(Br)s1 ZINC000436407537 567423032 /nfs/dbraw/zinc/42/30/32/567423032.db2.gz FZJGRZOMJNCXIV-LBPRGKRZSA-N 0 1 399.358 3.240 20 0 GGADMN COc1cccc([C@@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)OC)c1 ZINC000528446033 567423004 /nfs/dbraw/zinc/42/30/04/567423004.db2.gz CVRBNDLVNWRQCY-CQSZACIVSA-N 0 1 391.823 3.293 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000569693208 567423831 /nfs/dbraw/zinc/42/38/31/567423831.db2.gz YNPZXSYENUPIFJ-AAEUAGOBSA-N 0 1 384.270 3.153 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C(=O)[O-] ZINC000569693211 567424003 /nfs/dbraw/zinc/42/40/03/567424003.db2.gz YNPZXSYENUPIFJ-DGCLKSJQSA-N 0 1 384.270 3.153 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C(=O)[O-] ZINC000569693214 567424280 /nfs/dbraw/zinc/42/42/80/567424280.db2.gz YNPZXSYENUPIFJ-WCQYABFASA-N 0 1 384.270 3.153 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2csc(-c3cccs3)n2)CC1 ZINC000456900002 567425574 /nfs/dbraw/zinc/42/55/74/567425574.db2.gz NRCFWIWUNYIJHI-UHFFFAOYSA-N 0 1 378.567 3.018 20 0 GGADMN CCc1cnc(CCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)s1 ZINC000569714767 567425865 /nfs/dbraw/zinc/42/58/65/567425865.db2.gz HXSCNXVSVNENER-CHWSQXEVSA-N 0 1 377.476 3.273 20 0 GGADMN CNS(=O)(=O)C[C@H]1CCCN1C/C(C)=C\c1ccccc1C(F)(F)F ZINC000502281357 567426562 /nfs/dbraw/zinc/42/65/62/567426562.db2.gz HVHLPEUGATXCSI-VSKPTYQZSA-N 0 1 376.444 3.122 20 0 GGADMN CNS(=O)(=O)C[C@H]1CCCN1C/C(C)=C/c1ccccc1C(F)(F)F ZINC000502281352 567426612 /nfs/dbraw/zinc/42/66/12/567426612.db2.gz HVHLPEUGATXCSI-NRMKIYEFSA-N 0 1 376.444 3.122 20 0 GGADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000436479611 567426884 /nfs/dbraw/zinc/42/68/84/567426884.db2.gz WOQDBAHWVNCSJO-GFCCVEGCSA-N 0 1 387.807 3.299 20 0 GGADMN COCCN1CC[C@H](NC(=O)c2c(Br)ccc3ccccc32)C1 ZINC000528470592 567427255 /nfs/dbraw/zinc/42/72/55/567427255.db2.gz FKXKEGMQTWBXKN-AWEZNQCLSA-N 0 1 377.282 3.053 20 0 GGADMN COC[C@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000456939442 567427809 /nfs/dbraw/zinc/42/78/09/567427809.db2.gz OJBYHBODHPDMMS-CYBMUJFWSA-N 0 1 378.270 3.480 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)C(C)(C)C2)c2cc(Br)ccc2n1 ZINC000550117470 567427845 /nfs/dbraw/zinc/42/78/45/567427845.db2.gz WFYFFNCNMRMWON-UHFFFAOYSA-N 0 1 376.298 3.472 20 0 GGADMN Brc1ccc2ncnc(N3CCC[C@@H](N4CCOCC4)CC3)c2c1 ZINC000569744392 567428039 /nfs/dbraw/zinc/42/80/39/567428039.db2.gz MXEKLHYBIQRJLJ-OAHLLOKOSA-N 0 1 391.313 3.083 20 0 GGADMN CCN1CCCN(C(=O)c2scc(Br)c2Br)CC1 ZINC000528492412 567428742 /nfs/dbraw/zinc/42/87/42/567428742.db2.gz LGMZEGJTGLQAMP-UHFFFAOYSA-N 0 1 396.148 3.441 20 0 GGADMN CCN(CCOCCO)Cc1cc(Br)cc(C)c1OC(F)F ZINC000502344534 567429351 /nfs/dbraw/zinc/42/93/51/567429351.db2.gz IZMMOTIOOXTCMO-UHFFFAOYSA-N 0 1 382.245 3.190 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000550139381 567429711 /nfs/dbraw/zinc/42/97/11/567429711.db2.gz UEUGAJJTTYEIFF-UHFFFAOYSA-N 0 1 394.184 3.093 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@@H](c2cccc(I)c2)N1 ZINC000569753677 567430057 /nfs/dbraw/zinc/43/00/57/567430057.db2.gz YEJCJLZJLALASR-ZDUSSCGKSA-N 0 1 389.200 3.138 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)CC[C@H]2CCCCO2)[C@H]1c1cccs1 ZINC000641353333 567430283 /nfs/dbraw/zinc/43/02/83/567430283.db2.gz SKMLQUIXDBRXGP-NUJGCVRESA-N 0 1 386.583 3.010 20 0 GGADMN COC(=O)c1ccc(O)c(NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000436510836 567430386 /nfs/dbraw/zinc/43/03/86/567430386.db2.gz VBKBWJJTNYLLCQ-UHFFFAOYSA-N 0 1 390.193 3.070 20 0 GGADMN O[C@H](CN1CCc2nc(-c3ccccc3Cl)sc2C1)CC1(O)CCC1 ZINC000528502063 567430669 /nfs/dbraw/zinc/43/06/69/567430669.db2.gz JERNPSLKNWWGSU-ZDUSSCGKSA-N 0 1 378.925 3.488 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1csc(=NC2CC2)[nH]1 ZINC000478004461 567430778 /nfs/dbraw/zinc/43/07/78/567430778.db2.gz QXBIJGJXEZJEGX-RKDXNWHRSA-N 0 1 384.324 3.249 20 0 GGADMN CS(=O)(=O)Nc1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1 ZINC000436535657 567431479 /nfs/dbraw/zinc/43/14/79/567431479.db2.gz BAMMVJLYKOSBFG-UHFFFAOYSA-N 0 1 389.260 3.001 20 0 GGADMN CC(C)(C)c1n[nH]cc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457025636 567433100 /nfs/dbraw/zinc/43/31/00/567433100.db2.gz FFMUXLNRRYQGPN-UHFFFAOYSA-N 0 1 376.258 3.276 20 0 GGADMN C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436541178 567433307 /nfs/dbraw/zinc/43/33/07/567433307.db2.gz WGGOEVRHZQJUCQ-UHFFFAOYSA-N 0 1 377.282 3.359 20 0 GGADMN O=C(CCNC(=O)c1ccc(F)cc1O)Nc1ccc(Br)cc1 ZINC000436547439 567433422 /nfs/dbraw/zinc/43/34/22/567433422.db2.gz KIYUMYABRPNJGA-UHFFFAOYSA-N 0 1 381.201 3.052 20 0 GGADMN COC(=O)COc1cccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000436549022 567433473 /nfs/dbraw/zinc/43/34/73/567433473.db2.gz OQXHYXIQDNQEOH-UHFFFAOYSA-N 0 1 384.215 3.181 20 0 GGADMN O=C(CNC(=O)c1c(O)cc(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000436538683 567433532 /nfs/dbraw/zinc/43/35/32/567433532.db2.gz IULFDKNOESABKY-UHFFFAOYSA-N 0 1 379.243 3.408 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1c(O)cc(Cl)cc1Cl ZINC000436537105 567433855 /nfs/dbraw/zinc/43/38/55/567433855.db2.gz FREWMZZRINRCNO-AWEZNQCLSA-N 0 1 379.243 3.230 20 0 GGADMN O=c1[nH]nc(SCc2nnc(C(F)(F)F)s2)n1CCc1ccccc1 ZINC000641419247 567434563 /nfs/dbraw/zinc/43/45/63/567434563.db2.gz JEKVFQLFXRGCNX-UHFFFAOYSA-N 0 1 387.412 3.389 20 0 GGADMN CC[C@H](C)CS(=O)(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000502450996 567435156 /nfs/dbraw/zinc/43/51/56/567435156.db2.gz LUPPQSCACKLRAK-AWEZNQCLSA-N 0 1 380.476 3.445 20 0 GGADMN CC[C@@H](C)CS(=O)(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000502436897 567435408 /nfs/dbraw/zinc/43/54/08/567435408.db2.gz LQKOJICLZAZYCY-CQSZACIVSA-N 0 1 391.375 3.189 20 0 GGADMN COc1ccc(Br)c(CNC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000502440520 567435521 /nfs/dbraw/zinc/43/55/21/567435521.db2.gz OWHYWHJIFHJGOW-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN CCSCc1cc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)no1 ZINC000457068626 567435708 /nfs/dbraw/zinc/43/57/08/567435708.db2.gz LYUSWKJWAKKNCZ-UHFFFAOYSA-N 0 1 379.448 3.417 20 0 GGADMN Cc1nc([C@H]2CCCN(c3ncnc(C(F)(F)F)c3Br)C2)n[nH]1 ZINC000641440757 567435922 /nfs/dbraw/zinc/43/59/22/567435922.db2.gz WRMBWQWYGDWJBY-QMMMGPOBSA-N 0 1 391.195 3.068 20 0 GGADMN Cc1nnc([C@H]2CCCN(c3ncnc(C(F)(F)F)c3Br)C2)[nH]1 ZINC000641440757 567435925 /nfs/dbraw/zinc/43/59/25/567435925.db2.gz WRMBWQWYGDWJBY-QMMMGPOBSA-N 0 1 391.195 3.068 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457070744 567435798 /nfs/dbraw/zinc/43/57/98/567435798.db2.gz VWGQCLYXMHRCAW-VIFPVBQESA-N 0 1 390.285 3.475 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)c1cc2c(s1)CCOC2 ZINC000457057671 567436045 /nfs/dbraw/zinc/43/60/45/567436045.db2.gz MXSBVIMPAUJDMQ-UHFFFAOYSA-N 0 1 392.278 3.390 20 0 GGADMN O=C(CCCc1nccs1)NCc1nc2cccc(Br)c2[nH]1 ZINC000457067561 567436219 /nfs/dbraw/zinc/43/62/19/567436219.db2.gz TZSVIWCKIMDWRR-UHFFFAOYSA-N 0 1 379.283 3.421 20 0 GGADMN CCSc1nccnc1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457066654 567436471 /nfs/dbraw/zinc/43/64/71/567436471.db2.gz JKASEBFVCXSHRV-UHFFFAOYSA-N 0 1 376.448 3.077 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@H]1CCN(c2ccccc2)C1 ZINC000457073118 567437353 /nfs/dbraw/zinc/43/73/53/567437353.db2.gz XTHNNXDJUIWFCN-ZDUSSCGKSA-N 0 1 399.292 3.468 20 0 GGADMN CN(C(=O)c1ncccc1Br)C1CCN(CCC(F)(F)F)CC1 ZINC000457076639 567437719 /nfs/dbraw/zinc/43/77/19/567437719.db2.gz YSWLKDQBDHLBAF-UHFFFAOYSA-N 0 1 394.235 3.333 20 0 GGADMN CN(C(=O)c1ccc(Br)cn1)C1CCN(CCC(F)(F)F)CC1 ZINC000457078645 567437779 /nfs/dbraw/zinc/43/77/79/567437779.db2.gz DNFZTXYBYIAGFW-UHFFFAOYSA-N 0 1 394.235 3.333 20 0 GGADMN C[C@H](Sc1ccccn1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457081870 567437821 /nfs/dbraw/zinc/43/78/21/567437821.db2.gz HVIDCFOBEBMPCS-ZDUSSCGKSA-N 0 1 375.460 3.437 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCN(c2ccccc2)C1 ZINC000457073115 567437878 /nfs/dbraw/zinc/43/78/78/567437878.db2.gz XTHNNXDJUIWFCN-CYBMUJFWSA-N 0 1 399.292 3.468 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)cc1C(N)=O ZINC000502493559 567438134 /nfs/dbraw/zinc/43/81/34/567438134.db2.gz UTDNHTWBCXVBDP-UHFFFAOYSA-N 0 1 375.837 3.096 20 0 GGADMN C[C@@H](Sc1ccccn1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457081869 567438286 /nfs/dbraw/zinc/43/82/86/567438286.db2.gz HVIDCFOBEBMPCS-CYBMUJFWSA-N 0 1 375.460 3.437 20 0 GGADMN COCCn1cc2c(n1)[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)CCC2 ZINC000436628384 567438309 /nfs/dbraw/zinc/43/83/09/567438309.db2.gz PYBJHTMJTVZNOX-CYBMUJFWSA-N 0 1 384.263 3.349 20 0 GGADMN COc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(Br)c1OC ZINC000550286825 567438457 /nfs/dbraw/zinc/43/84/57/567438457.db2.gz KSUUSBNCEYIOHN-UHFFFAOYSA-N 0 1 394.269 3.175 20 0 GGADMN CN1CCC[C@@H]1CNC(=O)c1scc(Br)c1Br ZINC000528563513 567438881 /nfs/dbraw/zinc/43/88/81/567438881.db2.gz ZEYBMYQFCAKRBQ-SSDOTTSWSA-N 0 1 382.121 3.097 20 0 GGADMN COCCC1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000528577206 567439943 /nfs/dbraw/zinc/43/99/43/567439943.db2.gz KIOOFRBJRQYDOE-QGZVFWFLSA-N 0 1 381.314 3.303 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])c1ccco1 ZINC000436633866 567440244 /nfs/dbraw/zinc/44/02/44/567440244.db2.gz IXHBSJACBLLKDS-LBPRGKRZSA-N 0 1 387.661 3.434 20 0 GGADMN COCCC1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000528572310 567440313 /nfs/dbraw/zinc/44/03/13/567440313.db2.gz DSOKEMBKUDMYNJ-AWEZNQCLSA-N 0 1 383.330 3.375 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(Br)c2)[C@@H](C)C1 ZINC000528583327 567440433 /nfs/dbraw/zinc/44/04/33/567440433.db2.gz HCVGAWAJLDPQOI-SUMWQHHRSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(Br)c2)[C@@H](C)C1 ZINC000528583325 567440631 /nfs/dbraw/zinc/44/06/31/567440631.db2.gz HCVGAWAJLDPQOI-GUYCJALGSA-N 0 1 399.329 3.022 20 0 GGADMN CC(C)(C)N(CC(=O)Nc1cnccn1)Cc1ccc(Br)cc1 ZINC000528593479 567441366 /nfs/dbraw/zinc/44/13/66/567441366.db2.gz OMAULQNKWCYDAY-UHFFFAOYSA-N 0 1 377.286 3.478 20 0 GGADMN C[NH+](C)Cc1cccc(NC(=O)c2cc(I)ccc2[O-])c1 ZINC000436673032 567442047 /nfs/dbraw/zinc/44/20/47/567442047.db2.gz IGNFTBAPVRLOQX-UHFFFAOYSA-N 0 1 396.228 3.311 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2cc3c(c(Br)c2)OCO3)c1 ZINC000436676921 567442116 /nfs/dbraw/zinc/44/21/16/567442116.db2.gz AQIIKLPBRQCIQR-UHFFFAOYSA-N 0 1 378.178 3.338 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000569902556 567442210 /nfs/dbraw/zinc/44/22/10/567442210.db2.gz CHSMCYNBUPJSOX-LBPRGKRZSA-N 0 1 398.301 3.102 20 0 GGADMN Brc1cccc(Cc2noc(CN3CCN(C4CCC4)CC3)n2)c1 ZINC000502554159 567442156 /nfs/dbraw/zinc/44/21/56/567442156.db2.gz YHNFPJHGRNFEHV-UHFFFAOYSA-N 0 1 391.313 3.093 20 0 GGADMN Cc1cc(C)n2nc(C(=O)Nc3cc(Br)cc(Cl)c3O)nc2n1 ZINC000436698593 567443748 /nfs/dbraw/zinc/44/37/48/567443748.db2.gz QKALRGAXDZQCOT-UHFFFAOYSA-N 0 1 396.632 3.115 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)CSc1cccc(Br)c1 ZINC000457131103 567444033 /nfs/dbraw/zinc/44/40/33/567444033.db2.gz TXULNHZCMDFBKS-UHFFFAOYSA-N 0 1 397.298 3.125 20 0 GGADMN Cn1c(=O)c(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc2ccccc21 ZINC000436698136 567444333 /nfs/dbraw/zinc/44/43/33/567444333.db2.gz NIXXHMVZFXKWMV-UHFFFAOYSA-N 0 1 377.227 3.481 20 0 GGADMN CN(C)c1ncc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000478265090 567444470 /nfs/dbraw/zinc/44/44/70/567444470.db2.gz ZXQIKVXVQWGUHC-CQSZACIVSA-N 0 1 385.320 3.411 20 0 GGADMN CC(=O)N(c1nc(CN(C)Cc2nnc[nH]2)cs1)c1cccc(Cl)c1 ZINC000550389569 567444519 /nfs/dbraw/zinc/44/45/19/567444519.db2.gz AXHXPPTUCOFWHX-UHFFFAOYSA-N 0 1 376.873 3.231 20 0 GGADMN CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(Br)cc1[O-] ZINC000436714022 567445706 /nfs/dbraw/zinc/44/57/06/567445706.db2.gz SIYGSSKIIWMPMQ-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(Br)cc1[O-] ZINC000436714022 567445711 /nfs/dbraw/zinc/44/57/11/567445711.db2.gz SIYGSSKIIWMPMQ-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)Cc2ccc(I)cc2)c1 ZINC000436721444 567446056 /nfs/dbraw/zinc/44/60/56/567446056.db2.gz HYFFVOPWUXQDGF-UHFFFAOYSA-N 0 1 395.196 3.381 20 0 GGADMN CN(C(=O)c1scc(Br)c1Br)[C@@H]1CCCN(C)C1 ZINC000528658172 567446245 /nfs/dbraw/zinc/44/62/45/567446245.db2.gz UHNXAPRFOXCCBL-MRVPVSSYSA-N 0 1 396.148 3.439 20 0 GGADMN COCCN1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000593913410 567446408 /nfs/dbraw/zinc/44/64/08/567446408.db2.gz QTJJBTRZOBDBHT-KRWDZBQOSA-N 0 1 395.341 3.098 20 0 GGADMN CCN1CC[NH+](CCCNC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000502699420 567446583 /nfs/dbraw/zinc/44/65/83/567446583.db2.gz YFGKIPGUDWXQRN-OAHLLOKOSA-N 0 1 386.367 3.316 20 0 GGADMN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc2c(s1)CCNC2 ZINC000662540278 567446688 /nfs/dbraw/zinc/44/66/88/567446688.db2.gz FKVNWAZYWWFYBJ-UHFFFAOYSA-N 0 1 394.294 3.367 20 0 GGADMN COc1c(NC(=O)c2ccc(Br)cc2O)cc(Cl)cc1C(N)=O ZINC000436733152 567446954 /nfs/dbraw/zinc/44/69/54/567446954.db2.gz WIZOSFAFESTPNY-UHFFFAOYSA-N 0 1 399.628 3.168 20 0 GGADMN O=S(=O)(NC[C@@H](CCO)c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000550431993 567446973 /nfs/dbraw/zinc/44/69/73/567446973.db2.gz OJDUJLQZICAVQZ-GFCCVEGCSA-N 0 1 375.824 3.063 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000457176678 567447016 /nfs/dbraw/zinc/44/70/16/567447016.db2.gz UHEYFCHCEHNXFV-MRVPVSSYSA-N 0 1 385.251 3.345 20 0 GGADMN CC[C@@H](C)c1ncc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cn1 ZINC000478296958 567447035 /nfs/dbraw/zinc/44/70/35/567447035.db2.gz ZMULPZBYGLJGEL-SNVBAGLBSA-N 0 1 382.873 3.267 20 0 GGADMN O=S(=O)(NCc1cc(Cl)c2c(c1)OCCO2)c1c(F)cc(F)cc1F ZINC000502667480 567447203 /nfs/dbraw/zinc/44/72/03/567447203.db2.gz KRFHQWSTBMKGCW-UHFFFAOYSA-N 0 1 393.770 3.007 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000457176679 567447250 /nfs/dbraw/zinc/44/72/50/567447250.db2.gz UHEYFCHCEHNXFV-QMMMGPOBSA-N 0 1 385.251 3.345 20 0 GGADMN CC(C)[C@@]1(CO)CCCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000550433018 567447302 /nfs/dbraw/zinc/44/73/02/567447302.db2.gz AFFZFFXZZJOASA-KXBFYZLASA-N 0 1 397.357 3.357 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2c(Cl)ccc(F)c2F)o1 ZINC000550434153 567447317 /nfs/dbraw/zinc/44/73/17/567447317.db2.gz OVVCMJDTGJRBAH-UHFFFAOYSA-N 0 1 392.855 3.272 20 0 GGADMN Cc1cc(Br)c2ccccc2c1NC(=O)NC[C@H]1COCCN1 ZINC000528683885 567447459 /nfs/dbraw/zinc/44/74/59/567447459.db2.gz RGADDFQJTXBUDQ-LBPRGKRZSA-N 0 1 378.270 3.021 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000662554270 567447623 /nfs/dbraw/zinc/44/76/23/567447623.db2.gz TZECHLUXPDVQMJ-CQSZACIVSA-N 0 1 378.270 3.318 20 0 GGADMN O=C(NCCCc1nc[nH]n1)c1csc(-c2ccc(Br)s2)n1 ZINC000569968622 567447643 /nfs/dbraw/zinc/44/76/43/567447643.db2.gz JGWFGLDXPJQPNF-UHFFFAOYSA-N 0 1 398.311 3.115 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436737578 567447783 /nfs/dbraw/zinc/44/77/83/567447783.db2.gz LMWKRFWQDRUYQH-UHFFFAOYSA-N 0 1 399.260 3.481 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000528683898 567447957 /nfs/dbraw/zinc/44/79/57/567447957.db2.gz RRIWYNVFJWNJRF-CQSZACIVSA-N 0 1 383.283 3.036 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000528682237 567447972 /nfs/dbraw/zinc/44/79/72/567447972.db2.gz RQAUTEVTGCHLPN-MRXNPFEDSA-N 0 1 392.301 3.097 20 0 GGADMN C[C@@H]1Oc2ccc(NC(=O)c3ccc(Br)cc3O)cc2NC1=O ZINC000436757623 567449075 /nfs/dbraw/zinc/44/90/75/567449075.db2.gz VKXJEIHCOQXQAU-QMMMGPOBSA-N 0 1 377.194 3.126 20 0 GGADMN COCc1nc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cs1 ZINC000569980756 567449147 /nfs/dbraw/zinc/44/91/47/567449147.db2.gz WLGDNWTXRXRXTA-OAHLLOKOSA-N 0 1 382.917 3.045 20 0 GGADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](C)O1 ZINC000436759151 567449118 /nfs/dbraw/zinc/44/91/18/567449118.db2.gz UAFCTEGNXCXYMQ-QWRGUYRKSA-N 0 1 375.296 3.317 20 0 GGADMN OC[C@]1([C@@H](NCc2nc3cc(Br)ccc3o2)C2CC2)CCCO1 ZINC000550503646 567449486 /nfs/dbraw/zinc/44/94/86/567449486.db2.gz VJGFFJBTLCYZSO-IRXDYDNUSA-N 0 1 381.270 3.000 20 0 GGADMN CC(=O)Nc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2O)nc1 ZINC000436741648 567449968 /nfs/dbraw/zinc/44/99/68/567449968.db2.gz UPLPNSWEGWFJES-UHFFFAOYSA-N 0 1 384.617 3.414 20 0 GGADMN C[C@H]1Oc2ccc(NC(=O)c3ccc(Br)cc3O)cc2NC1=O ZINC000436757622 567450224 /nfs/dbraw/zinc/45/02/24/567450224.db2.gz VKXJEIHCOQXQAU-MRVPVSSYSA-N 0 1 377.194 3.126 20 0 GGADMN CCn1ncc(NS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1C(F)(F)F ZINC000641685686 567450233 /nfs/dbraw/zinc/45/02/33/567450233.db2.gz IFHJWFAAVUBCJD-AAEUAGOBSA-N 0 1 377.363 3.359 20 0 GGADMN CN1C[C@H](NC(=O)c2ccc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000478372671 567450513 /nfs/dbraw/zinc/45/05/13/567450513.db2.gz PXNLZCXIQKVLJY-RDJZCZTQSA-N 0 1 377.257 3.416 20 0 GGADMN CN1C[C@H](NC(=O)c2ccc(Br)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000478366917 567450522 /nfs/dbraw/zinc/45/05/22/567450522.db2.gz DWUUBDUJCFCIOT-PBHICJAKSA-N 0 1 377.257 3.416 20 0 GGADMN CN1C[C@H](NC(=O)c2ccc(F)cc2Br)[C@H](c2ccccc2)C1 ZINC000478372721 567450996 /nfs/dbraw/zinc/45/09/96/567450996.db2.gz QFPINDWRWFUQBM-RDJZCZTQSA-N 0 1 377.257 3.416 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000436770447 567451250 /nfs/dbraw/zinc/45/12/50/567451250.db2.gz ORODFTXKQYBQLN-UHFFFAOYSA-N 0 1 375.694 3.364 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCC[C@@H](O)CC2)C1=O ZINC000550524661 567451533 /nfs/dbraw/zinc/45/15/33/567451533.db2.gz BPASZPQJAJSUPF-SJORKVTESA-N 0 1 395.341 3.408 20 0 GGADMN C[C@@H]1CCN(CCNC(=O)c2scc(Br)c2Br)C1 ZINC000528728878 567451693 /nfs/dbraw/zinc/45/16/93/567451693.db2.gz QINNBPVFQFBLOQ-MRVPVSSYSA-N 0 1 396.148 3.345 20 0 GGADMN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(F)cc1O ZINC000436806408 567452322 /nfs/dbraw/zinc/45/23/22/567452322.db2.gz FWKZYRLWVYDJDY-UHFFFAOYSA-N 0 1 392.184 3.274 20 0 GGADMN O[C@]1(CNCc2cc(Br)sc2Br)CCSC1 ZINC000641732232 567452352 /nfs/dbraw/zinc/45/23/52/567452352.db2.gz FRLWDRKYOOJQHN-JTQLQIEISA-N 0 1 387.162 3.231 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)C[C@@H](C)S1(=O)=O ZINC000436799138 567452709 /nfs/dbraw/zinc/45/27/09/567452709.db2.gz XCYYRQKETOURQK-NEPJUHHUSA-N 0 1 381.881 3.237 20 0 GGADMN CN(C)C[C@@H](NCc1ncnn1CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000528764390 567452720 /nfs/dbraw/zinc/45/27/20/567452720.db2.gz JMXHBBBJNIXOAL-CYBMUJFWSA-N 0 1 378.254 3.243 20 0 GGADMN CCOC1CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC000436788501 567453078 /nfs/dbraw/zinc/45/30/78/567453078.db2.gz AYFYEXLRYVTSFQ-UHFFFAOYSA-N 0 1 380.853 3.220 20 0 GGADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(F)cc(Br)c2)C1 ZINC000478405025 567453368 /nfs/dbraw/zinc/45/33/68/567453368.db2.gz ZJPPMHIVOCJCIQ-DLBZAZTESA-N 0 1 377.257 3.416 20 0 GGADMN OC1(CCNCc2cc(Br)sc2Br)CCOCC1 ZINC000641755231 567453580 /nfs/dbraw/zinc/45/35/80/567453580.db2.gz UXEDKYJZSCKFRN-UHFFFAOYSA-N 0 1 399.148 3.294 20 0 GGADMN Brc1cc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc2c1OCO2 ZINC000550622252 567453914 /nfs/dbraw/zinc/45/39/14/567453914.db2.gz JWUAAUZYALJRPJ-ZDUSSCGKSA-N 0 1 393.266 3.237 20 0 GGADMN O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570042227 567454009 /nfs/dbraw/zinc/45/40/09/567454009.db2.gz DWHOJWKEEDPJGP-LORHWOILSA-N 0 1 375.310 3.006 20 0 GGADMN CN(CC(=O)NCC1(c2ccccc2Br)CCC1)[C@H]1CCSC1 ZINC000570069485 567455466 /nfs/dbraw/zinc/45/54/66/567455466.db2.gz SBFZZMVMSZJFHB-AWEZNQCLSA-N 0 1 397.382 3.424 20 0 GGADMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ncc(-c2ccc(Br)cc2)o1 ZINC000502831628 567456164 /nfs/dbraw/zinc/45/61/64/567456164.db2.gz CLOUDTVAWZETIN-KGLIPLIRSA-N 0 1 378.270 3.108 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)N1CCN(C2CCC2)CC1 ZINC000502839788 567456591 /nfs/dbraw/zinc/45/65/91/567456591.db2.gz NVGIALDNPDDIOJ-UHFFFAOYSA-N 0 1 384.293 3.010 20 0 GGADMN CCOC1CC(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000570080883 567457183 /nfs/dbraw/zinc/45/71/83/567457183.db2.gz QGNQDHJMUNVASD-UHFFFAOYSA-N 0 1 378.270 3.479 20 0 GGADMN COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000662701856 567457976 /nfs/dbraw/zinc/45/79/76/567457976.db2.gz DATZAHLNOCKPQB-FCEWJHQRSA-N 0 1 389.293 3.304 20 0 GGADMN C[C@](N)(C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)c1ccc(Br)cc1 ZINC000662699351 567458011 /nfs/dbraw/zinc/45/80/11/567458011.db2.gz PMEWCRJFXRPRRS-POZUXBRTSA-N 0 1 395.341 3.431 20 0 GGADMN O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(F)cc(Br)c1[O-] ZINC000436852919 567458245 /nfs/dbraw/zinc/45/82/45/567458245.db2.gz QDIFDMKBPYOWTK-CQSZACIVSA-N 0 1 397.244 3.454 20 0 GGADMN CN1C[C@H](NC(=O)c2cc(F)ccc2Br)[C@@H](c2ccccc2)C1 ZINC000478457255 567458838 /nfs/dbraw/zinc/45/88/38/567458838.db2.gz KCUIJTPIOMCLGT-WBVHZDCISA-N 0 1 377.257 3.416 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000436857869 567459661 /nfs/dbraw/zinc/45/96/61/567459661.db2.gz LRPCEYAIYATBOV-HZPDHXFCSA-N 0 1 393.256 3.469 20 0 GGADMN O=C(c1cc(F)cc(Br)c1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000436857655 567459831 /nfs/dbraw/zinc/45/98/31/567459831.db2.gz CXRISTGPJYHTIG-ZBEGNZNMSA-N 0 1 397.288 3.383 20 0 GGADMN CC1(Cc2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)CCCC1 ZINC000570127998 567460180 /nfs/dbraw/zinc/46/01/80/567460180.db2.gz PWTWWBIKHWVCDC-UHFFFAOYSA-N 0 1 375.903 3.386 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000641951197 567460542 /nfs/dbraw/zinc/46/05/42/567460542.db2.gz ZMYQBDCOMAENMT-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN O=C(c1cc(F)cc(Br)c1[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000436866097 567461111 /nfs/dbraw/zinc/46/11/11/567461111.db2.gz WPVNQJBXGLWULZ-UHFFFAOYSA-N 0 1 385.277 3.384 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(I)cc2)c1 ZINC000436860801 567461253 /nfs/dbraw/zinc/46/12/53/567461253.db2.gz HXMLANUOPGUXJL-UHFFFAOYSA-N 0 1 381.169 3.452 20 0 GGADMN C[S@@](=O)Cc1ccc(Cl)c(NS(=O)(=O)c2c(F)cccc2F)c1 ZINC000550794058 567461524 /nfs/dbraw/zinc/46/15/24/567461524.db2.gz ZBVQOVDLISNIFB-JOCHJYFZSA-N 0 1 379.837 3.298 20 0 GGADMN O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000436868459 567461556 /nfs/dbraw/zinc/46/15/56/567461556.db2.gz JKSVJPDIYKWXBY-MRXNPFEDSA-N 0 1 376.909 3.393 20 0 GGADMN O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000436868459 567461558 /nfs/dbraw/zinc/46/15/58/567461558.db2.gz JKSVJPDIYKWXBY-MRXNPFEDSA-N 0 1 376.909 3.393 20 0 GGADMN CC1CCN(CC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000478493653 567461774 /nfs/dbraw/zinc/46/17/74/567461774.db2.gz PTORFVIKHFIAGP-OAHLLOKOSA-N 0 1 378.822 3.240 20 0 GGADMN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(O)c(Cl)c1 ZINC000436867128 567461694 /nfs/dbraw/zinc/46/16/94/567461694.db2.gz ATTZLERUOSVLLC-LBPRGKRZSA-N 0 1 398.684 3.389 20 0 GGADMN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1ccc(O)c(Cl)c1 ZINC000436871480 567462741 /nfs/dbraw/zinc/46/27/41/567462741.db2.gz UENWLTPJOJTFGA-LBPRGKRZSA-N 0 1 398.684 3.389 20 0 GGADMN O=C(CNC(=O)c1ccc(O)c(Cl)c1)Nc1cccc(Br)c1 ZINC000436886459 567462915 /nfs/dbraw/zinc/46/29/15/567462915.db2.gz KYSKETIPWOJXNO-UHFFFAOYSA-N 0 1 383.629 3.177 20 0 GGADMN Fc1cc(Br)c(CN[C@@H](c2nnc[nH]2)c2cccnc2)cc1F ZINC000550821022 567463023 /nfs/dbraw/zinc/46/30/23/567463023.db2.gz SLXNOSNYVVLYCK-CQSZACIVSA-N 0 1 380.196 3.120 20 0 GGADMN O=S(=O)(NCCCn1cnc2ccccc21)c1c(Cl)ccc(F)c1F ZINC000550828687 567464492 /nfs/dbraw/zinc/46/44/92/567464492.db2.gz IISAUWANBRJCMR-UHFFFAOYSA-N 0 1 385.823 3.337 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC)c(Cl)c1 ZINC000436931183 567466321 /nfs/dbraw/zinc/46/63/21/567466321.db2.gz IUBUIMSJQBHBTQ-HNNXBMFYSA-N 0 1 384.215 3.352 20 0 GGADMN CN(Cc1noc(-c2ccc(Br)cc2O)n1)C(=O)c1ccccc1 ZINC000436931763 567466539 /nfs/dbraw/zinc/46/65/39/567466539.db2.gz MCIBHSWHXAZFRR-UHFFFAOYSA-N 0 1 388.221 3.477 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(Br)cc1F ZINC000436925847 567467207 /nfs/dbraw/zinc/46/72/07/567467207.db2.gz HRFJSCTVBQYOTG-VIFPVBQESA-N 0 1 392.232 3.203 20 0 GGADMN COC(=O)C(C)(C)c1csc(NC(=O)c2ccc(Br)cc2O)n1 ZINC000436918859 567467289 /nfs/dbraw/zinc/46/72/89/567467289.db2.gz KUDCCAYLOLHORJ-UHFFFAOYSA-N 0 1 399.266 3.314 20 0 GGADMN O=C([C@H]1NCCc2ccccc21)N1CCc2sc(Br)cc2C1 ZINC000662883870 567467379 /nfs/dbraw/zinc/46/73/79/567467379.db2.gz QBTLZTCQJVZBJM-INIZCTEOSA-N 0 1 377.307 3.282 20 0 GGADMN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cncc(Br)c1 ZINC000570225053 567467660 /nfs/dbraw/zinc/46/76/60/567467660.db2.gz DCLKVTPXGUMLCT-CYBMUJFWSA-N 0 1 392.297 3.162 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(-c2noc(-c3cc(Cl)ccc3O)n2)c1 ZINC000436944881 567468021 /nfs/dbraw/zinc/46/80/21/567468021.db2.gz OBESHJZJQZCMEU-UHFFFAOYSA-N 0 1 379.825 3.013 20 0 GGADMN CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(Br)cc2O)c1 ZINC000436936974 567468071 /nfs/dbraw/zinc/46/80/71/567468071.db2.gz VWEGFNODAYYRAM-UHFFFAOYSA-N 0 1 379.210 3.287 20 0 GGADMN Clc1cc(Br)ccc1CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000550885019 567468267 /nfs/dbraw/zinc/46/82/67/567468267.db2.gz BMQQOYGWMFEDDR-AWEZNQCLSA-N 0 1 378.661 3.495 20 0 GGADMN Cc1c(NC(=O)c2ccc(Cl)cc2O)cccc1S(=O)(=O)NC1CC1 ZINC000436947290 567468504 /nfs/dbraw/zinc/46/85/04/567468504.db2.gz GLSWZSAYORUJTD-UHFFFAOYSA-N 0 1 380.853 3.047 20 0 GGADMN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000642121602 567468701 /nfs/dbraw/zinc/46/87/01/567468701.db2.gz MKZIZNZCSVJKBK-UHFFFAOYSA-N 0 1 377.846 3.074 20 0 GGADMN COc1cc(Br)c(CSc2nc3n[nH]cc3c(=O)[nH]2)cc1OC ZINC000642117145 567468929 /nfs/dbraw/zinc/46/89/29/567468929.db2.gz IUPCMOXRPRQDOH-UHFFFAOYSA-N 0 1 397.254 3.131 20 0 GGADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1cccc2ccsc21 ZINC000570251774 567470262 /nfs/dbraw/zinc/47/02/62/567470262.db2.gz PUBVDXUJGKUKAG-UHFFFAOYSA-N 0 1 382.413 3.097 20 0 GGADMN CCC(C)(C)OCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000457500264 567470520 /nfs/dbraw/zinc/47/05/20/567470520.db2.gz KDGCXOLHCRYUHA-UHFFFAOYSA-N 0 1 398.345 3.345 20 0 GGADMN C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000550966229 567470711 /nfs/dbraw/zinc/47/07/11/567470711.db2.gz WVBFQBRYJILGKF-ZDUSSCGKSA-N 0 1 380.794 3.246 20 0 GGADMN C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000550966229 567470717 /nfs/dbraw/zinc/47/07/17/567470717.db2.gz WVBFQBRYJILGKF-ZDUSSCGKSA-N 0 1 380.794 3.246 20 0 GGADMN C[C@H](NCCc1cnn(C)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000503168428 567471260 /nfs/dbraw/zinc/47/12/60/567471260.db2.gz WXEGBRKTIAIEGR-NSHDSACASA-N 0 1 376.258 3.126 20 0 GGADMN CC(C)(CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CCCCC1 ZINC000642193549 567471407 /nfs/dbraw/zinc/47/14/07/567471407.db2.gz LJTQPAPCLOWZJV-UHFFFAOYSA-N 0 1 380.432 3.128 20 0 GGADMN Cc1ccc(NC(=O)CCN[C@H]2COc3cc(F)c(Br)cc32)nc1 ZINC000570274362 567471673 /nfs/dbraw/zinc/47/16/73/567471673.db2.gz QHLJDUCVKPEAAL-AWEZNQCLSA-N 0 1 394.244 3.344 20 0 GGADMN Fc1ccc(Br)cc1CCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000551006252 567472381 /nfs/dbraw/zinc/47/23/81/567472381.db2.gz UFGKVDVYMRLVJF-HNNXBMFYSA-N 0 1 376.233 3.023 20 0 GGADMN Cc1cc(CN[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)n(C)n1 ZINC000551003889 567472490 /nfs/dbraw/zinc/47/24/90/567472490.db2.gz SPJREFNSWUIBEP-KRWDZBQOSA-N 0 1 391.313 3.085 20 0 GGADMN OCC1(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCSCC1 ZINC000570296242 567473279 /nfs/dbraw/zinc/47/32/79/567473279.db2.gz LYOZIJXVRLQUDE-UHFFFAOYSA-N 0 1 382.327 3.187 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc3ccccc32)C[C@@H]1N(C)C ZINC000503210328 567473451 /nfs/dbraw/zinc/47/34/51/567473451.db2.gz CVBYSTMPTDHNNO-JKSUJKDBSA-N 0 1 384.954 3.159 20 0 GGADMN CC(C)Oc1ccc(CN[C@@H](CS(C)(=O)=O)C2CC2)c(C(F)(F)F)c1 ZINC000551029618 567473754 /nfs/dbraw/zinc/47/37/54/567473754.db2.gz LYVZAGBVLJAINW-INIZCTEOSA-N 0 1 379.444 3.405 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc3ccccc32)C[C@H]1N(C)C ZINC000503210327 567474055 /nfs/dbraw/zinc/47/40/55/567474055.db2.gz CVBYSTMPTDHNNO-HZPDHXFCSA-N 0 1 384.954 3.159 20 0 GGADMN CC(C)(C)OC(=O)CN(C(=O)c1cccc(Br)c1O)C1CCC1 ZINC000594423864 567474307 /nfs/dbraw/zinc/47/43/07/567474307.db2.gz HMANDEDEAXPNFE-UHFFFAOYSA-N 0 1 384.270 3.491 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SC[C@H]2CCCS(=O)(=O)C2)n1 ZINC000551052130 567475289 /nfs/dbraw/zinc/47/52/89/567475289.db2.gz RGSIHRVYHSAHCT-SNVBAGLBSA-N 0 1 387.914 3.051 20 0 GGADMN Cc1cn(-c2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2)c(=O)[nH]1 ZINC000478689121 567475416 /nfs/dbraw/zinc/47/54/16/567475416.db2.gz DNENLRGSDBVTHO-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN O=C([O-])[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000663084288 567475824 /nfs/dbraw/zinc/47/58/24/567475824.db2.gz ICFJTLSGKBWSRY-MRXNPFEDSA-N 0 1 385.291 3.185 20 0 GGADMN Brc1cccc2[nH]cc(Cc3noc([C@@H]4CCCc5nn[nH]c54)n3)c21 ZINC000663156510 567476647 /nfs/dbraw/zinc/47/66/47/567476647.db2.gz DEDGGBYBYJBEGS-SNVBAGLBSA-N 0 1 399.252 3.491 20 0 GGADMN COC(=O)[C@]1(C)CN(Cc2ccc(OC)c(OC)c2Br)C[C@H]1C ZINC000503247570 567476812 /nfs/dbraw/zinc/47/68/12/567476812.db2.gz XEEUBEOJYYWSKE-PIGZYNQJSA-N 0 1 386.286 3.097 20 0 GGADMN COc1cc(Br)ccc1-c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663156344 567477214 /nfs/dbraw/zinc/47/72/14/567477214.db2.gz BRWPXFKZQUPFGL-JTQLQIEISA-N 0 1 376.214 3.094 20 0 GGADMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1C(N)=O ZINC000478699896 567477398 /nfs/dbraw/zinc/47/73/98/567477398.db2.gz WSLNBKALDIMLLC-UHFFFAOYSA-N 0 1 386.832 3.166 20 0 GGADMN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000619744579 567477711 /nfs/dbraw/zinc/47/77/11/567477711.db2.gz KYMINYXADFAABH-UHFFFAOYSA-N 0 1 379.743 3.345 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(Br)c1 ZINC000642376844 567477712 /nfs/dbraw/zinc/47/77/12/567477712.db2.gz TUDTZPOSPTYOJI-ZIAGYGMSSA-N 0 1 389.359 3.299 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1Br ZINC000642376826 567477821 /nfs/dbraw/zinc/47/78/21/567477821.db2.gz QHZUJTKCGQQUBG-UONOGXRCSA-N 0 1 389.359 3.299 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000642376819 567477850 /nfs/dbraw/zinc/47/78/50/567477850.db2.gz PMSTZVCGCUJNKT-ZIAGYGMSSA-N 0 1 389.359 3.299 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1C ZINC000642376765 567477965 /nfs/dbraw/zinc/47/79/65/567477965.db2.gz GAULXMMAHHOBJY-CHWSQXEVSA-N 0 1 380.432 3.126 20 0 GGADMN COc1ccc(Br)cc1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000663160625 567479008 /nfs/dbraw/zinc/47/90/08/567479008.db2.gz ZLYZGEVVOVTYRK-SECBINFHSA-N 0 1 376.214 3.094 20 0 GGADMN Fc1cc(Br)cc(Cc2noc([C@@H]3CCCc4nn[nH]c43)n2)c1 ZINC000663158173 567479055 /nfs/dbraw/zinc/47/90/55/567479055.db2.gz HWJLXVRPTNRERC-LLVKDONJSA-N 0 1 378.205 3.148 20 0 GGADMN Fc1ccc(Br)cc1Cc1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663157557 567479327 /nfs/dbraw/zinc/47/93/27/567479327.db2.gz HRSAMMMWADOZFV-JTQLQIEISA-N 0 1 378.205 3.148 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000551115017 567479431 /nfs/dbraw/zinc/47/94/31/567479431.db2.gz SVQHQXGMKKXBJN-UHFFFAOYSA-N 0 1 378.837 3.001 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)cn1 ZINC000570387679 567480926 /nfs/dbraw/zinc/48/09/26/567480926.db2.gz KCMCKVQQVDRKGI-UHFFFAOYSA-N 0 1 384.841 3.030 20 0 GGADMN COCc1nc2cc(NS(=O)(=O)c3cnc4ccsc4c3)ccc2o1 ZINC000437189763 567481234 /nfs/dbraw/zinc/48/12/34/567481234.db2.gz MGCLGOUUMKUAKI-UHFFFAOYSA-N 0 1 375.431 3.385 20 0 GGADMN COC(=O)CC1(NCc2oc3ccccc3c2Br)CCOCC1 ZINC000594498128 567481952 /nfs/dbraw/zinc/48/19/52/567481952.db2.gz LYKVEWWHAKEJRS-UHFFFAOYSA-N 0 1 382.254 3.397 20 0 GGADMN Cn1cnc(-c2ccc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)cc2)n1 ZINC000503401671 567482663 /nfs/dbraw/zinc/48/26/63/567482663.db2.gz DDTLLAPQXSAQOU-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN CCc1sc(C(=O)Nc2ccn(-c3ccncc3)n2)cc1Br ZINC000551156980 567482986 /nfs/dbraw/zinc/48/29/86/567482986.db2.gz NSTJPRAQBZTDTO-UHFFFAOYSA-N 0 1 377.267 3.328 20 0 GGADMN CCN=c1[nH]cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000478788176 567484444 /nfs/dbraw/zinc/48/44/44/567484444.db2.gz RTHPJAOVQRYPKH-CQSZACIVSA-N 0 1 378.567 3.261 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1N ZINC000619855641 567484904 /nfs/dbraw/zinc/48/49/04/567484904.db2.gz IIZOVHKRDFWDDA-UHFFFAOYSA-N 0 1 375.233 3.163 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1N ZINC000619855922 567485076 /nfs/dbraw/zinc/48/50/76/567485076.db2.gz VTOQWULDKGBIIP-UHFFFAOYSA-N 0 1 393.223 3.302 20 0 GGADMN CC(C)[C@@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000594553277 567485400 /nfs/dbraw/zinc/48/54/00/567485400.db2.gz QLKRIIWVDJNLGZ-HUUCEWRRSA-N 0 1 399.329 3.179 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000642660096 567485453 /nfs/dbraw/zinc/48/54/53/567485453.db2.gz ZSIHGILZHSYHKV-GASCZTMLSA-N 0 1 385.961 3.231 20 0 GGADMN C[C@@H](NCc1cccc(I)c1)C(=O)NCc1ccccc1 ZINC000551184745 567485615 /nfs/dbraw/zinc/48/56/15/567485615.db2.gz GWCWVGBXTWDYOS-CYBMUJFWSA-N 0 1 394.256 3.086 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000570450782 567486078 /nfs/dbraw/zinc/48/60/78/567486078.db2.gz TWANTFRDFANGHM-NXEZZACHSA-N 0 1 376.787 3.065 20 0 GGADMN Brc1ccc(-c2nnc(CN3CC[C@H](c4cccnc4)C3)o2)o1 ZINC000570448305 567486147 /nfs/dbraw/zinc/48/61/47/567486147.db2.gz UPWCZBUKBDFUBR-LBPRGKRZSA-N 0 1 375.226 3.477 20 0 GGADMN COc1c(C)cc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1C ZINC000437282977 567486359 /nfs/dbraw/zinc/48/63/59/567486359.db2.gz FEFWCNQXFYLPFZ-UHFFFAOYSA-N 0 1 382.551 3.126 20 0 GGADMN CN(Cc1ccccc1)C(=O)CNCc1cccc(I)c1 ZINC000551207284 567486459 /nfs/dbraw/zinc/48/64/59/567486459.db2.gz BYKCRFHDBYYYGN-UHFFFAOYSA-N 0 1 394.256 3.039 20 0 GGADMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c(Cl)c1 ZINC000642751680 567487559 /nfs/dbraw/zinc/48/75/59/567487559.db2.gz RIBDESQEPIHNBN-AWEZNQCLSA-N 0 1 379.913 3.376 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)Nc2ccc(F)c(Br)c2F)c1 ZINC000663260656 567487847 /nfs/dbraw/zinc/48/78/47/567487847.db2.gz DIMWRDKULQSLMO-UHFFFAOYSA-N 0 1 380.214 3.306 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000551222674 567489320 /nfs/dbraw/zinc/48/93/20/567489320.db2.gz MLZWVFIAEMIDSG-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cnc2ccsc2c1 ZINC000437308695 567489288 /nfs/dbraw/zinc/48/92/88/567489288.db2.gz SHDZUHZHPAUYGD-UHFFFAOYSA-N 0 1 381.548 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GGADMN NCc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)co1 ZINC000570681432 567504758 /nfs/dbraw/zinc/50/47/58/567504758.db2.gz VZRNNVFPOUPLCX-UHFFFAOYSA-N 0 1 382.291 3.440 20 0 GGADMN O=C(NCCF)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000437696572 567504888 /nfs/dbraw/zinc/50/48/88/567504888.db2.gz YUTARNIFZLSTMY-UHFFFAOYSA-N 0 1 391.251 3.494 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000551412096 567505044 /nfs/dbraw/zinc/50/50/44/567505044.db2.gz RBNCMOCXWOIFEB-KBPBESRZSA-N 0 1 380.535 3.070 20 0 GGADMN CCc1nc(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)n[nH]1 ZINC000457924661 567506013 /nfs/dbraw/zinc/50/60/13/567506013.db2.gz AKVBFJFCCIADSD-UHFFFAOYSA-N 0 1 392.301 3.051 20 0 GGADMN C[C@H](NC(=O)N1CCNC(C)(C)C1)c1cc(F)c(Br)cc1F ZINC000529348708 567507125 /nfs/dbraw/zinc/50/71/25/567507125.db2.gz MBVRFAQNSXRPEF-VIFPVBQESA-N 0 1 376.245 3.182 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NCc2ccc(F)cc2Br)n[nH]1 ZINC000457940879 567507440 /nfs/dbraw/zinc/50/74/40/567507440.db2.gz 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Cc1ccccc1CN1CCN([C@H](C)c2ncc(Br)cn2)CC1 ZINC000439000066 567560522 /nfs/dbraw/zinc/56/05/22/567560522.db2.gz VYNNAJCBWDQXBO-OAHLLOKOSA-N 0 1 375.314 3.426 20 0 GGADMN Cc1cccc(CN2CCN([C@@H](C)c3ncc(Br)cn3)CC2)c1 ZINC000438997484 567560822 /nfs/dbraw/zinc/56/08/22/567560822.db2.gz RAXHTEAZWBMJFD-HNNXBMFYSA-N 0 1 375.314 3.426 20 0 GGADMN C[C@H](CNC(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1nccs1 ZINC000458661007 567561201 /nfs/dbraw/zinc/56/12/01/567561201.db2.gz MOTMCOVAILRIQO-GFCCVEGCSA-N 0 1 378.464 3.305 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)C1(c2cccc(Br)c2)CC1 ZINC000439009992 567561967 /nfs/dbraw/zinc/56/19/67/567561967.db2.gz PXRAMEQIWQGAIA-UHFFFAOYSA-N 0 1 384.237 3.300 20 0 GGADMN CC1(C)CC[C@H](CNC(=O)NCc2nc3cccc(Br)c3[nH]2)O1 ZINC000458658704 567561975 /nfs/dbraw/zinc/56/19/75/567561975.db2.gz JMCWBLATUVMMSK-SNVBAGLBSA-N 0 1 381.274 3.082 20 0 GGADMN O=C1NCc2c1cccc2NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000571435484 567562241 /nfs/dbraw/zinc/56/22/41/567562241.db2.gz 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FYQMTCCKIUJLGX-NSHDSACASA-N 0 1 398.232 3.016 20 0 GGADMN CC(C)(NC[C@@H](O)COc1cc(F)cc(Br)c1)c1nccs1 ZINC000439457588 567589262 /nfs/dbraw/zinc/58/92/62/567589262.db2.gz BVTZVAHDJLAKPB-GFCCVEGCSA-N 0 1 389.290 3.309 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2cncc(Cl)c2)cc(Cl)c1F ZINC000480234684 567590136 /nfs/dbraw/zinc/59/01/36/567590136.db2.gz XLCWZPVMNMEFEP-UHFFFAOYSA-N 0 1 379.196 3.115 20 0 GGADMN CC[C@@H]1CN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCCO1 ZINC000439488394 567590318 /nfs/dbraw/zinc/59/03/18/567590318.db2.gz XLEKGUHUCUSEHZ-RHSMWYFYSA-N 0 1 383.330 3.297 20 0 GGADMN CC[C@H]1CN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCCO1 ZINC000439488396 567590382 /nfs/dbraw/zinc/59/03/82/567590382.db2.gz XLEKGUHUCUSEHZ-YOEHRIQHSA-N 0 1 383.330 3.297 20 0 GGADMN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1C ZINC000480254135 567591290 /nfs/dbraw/zinc/59/12/90/567591290.db2.gz WTHRRRUVLBEUDK-JTQLQIEISA-N 0 1 385.873 3.403 20 0 GGADMN CCC(CC)[C@@H](O)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480245378 567591451 /nfs/dbraw/zinc/59/14/51/567591451.db2.gz ZRLMVIMQOFVBOX-CABCVRRESA-N 0 1 390.343 3.054 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2ccc(Cl)s2)sc1Br ZINC000552460467 567591620 /nfs/dbraw/zinc/59/16/20/567591620.db2.gz JZVUYYBMSKIKMN-UHFFFAOYSA-N 0 1 387.733 3.407 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2F)cc1Cl ZINC000480253219 567591638 /nfs/dbraw/zinc/59/16/38/567591638.db2.gz VKDUTYNUWYNWJJ-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN CC(C)(C)C[C@H](O)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480252402 567591688 /nfs/dbraw/zinc/59/16/88/567591688.db2.gz UPXWGLJWSXUZOI-GXTWGEPZSA-N 0 1 390.343 3.054 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000530316699 567591870 /nfs/dbraw/zinc/59/18/70/567591870.db2.gz KYEWSYFTRCSLOV-UHFFFAOYSA-N 0 1 375.201 3.058 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCC(F)(F)c2ccc(Br)cc2)n[nH]1 ZINC000621552714 567592031 /nfs/dbraw/zinc/59/20/31/567592031.db2.gz AGXFXNMGRNFPPV-QMMMGPOBSA-N 0 1 388.216 3.028 20 0 GGADMN CC[C@H](C)[C@](C)(O)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480260615 567592049 /nfs/dbraw/zinc/59/20/49/567592049.db2.gz JFMJFMMYNMYTDI-SGIREYDYSA-N 0 1 390.343 3.054 20 0 GGADMN CC[C@@H](C)[C@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)OC ZINC000458987110 567592806 /nfs/dbraw/zinc/59/28/06/567592806.db2.gz BXZKKYNFIWSIRN-MFKMUULPSA-N 0 1 383.290 3.186 20 0 GGADMN CC[C@H](C)[C@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)OC ZINC000458987103 567592887 /nfs/dbraw/zinc/59/28/87/567592887.db2.gz BXZKKYNFIWSIRN-GWCFXTLKSA-N 0 1 383.290 3.186 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1Cl ZINC000439568288 567593053 /nfs/dbraw/zinc/59/30/53/567593053.db2.gz HCSNKEWLSAFWNH-UHFFFAOYSA-N 0 1 381.866 3.110 20 0 GGADMN CN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000439592660 567594363 /nfs/dbraw/zinc/59/43/63/567594363.db2.gz FBTVPTAMLMHGRL-JTQLQIEISA-N 0 1 390.698 3.280 20 0 GGADMN CN(C)C(=O)c1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1Cl ZINC000439579620 567594874 /nfs/dbraw/zinc/59/48/74/567594874.db2.gz ZAKGVOGNMNFNMM-UHFFFAOYSA-N 0 1 395.893 3.452 20 0 GGADMN CCN(C)c1ccc(CNCC(=O)Nc2cccc(Br)c2)cn1 ZINC000480300110 567596166 /nfs/dbraw/zinc/59/61/66/567596166.db2.gz IHDBTVHCIZTABG-UHFFFAOYSA-N 0 1 377.286 3.029 20 0 GGADMN Cc1[nH]c(=O)c(Br)cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000552552248 567596321 /nfs/dbraw/zinc/59/63/21/567596321.db2.gz VELYFMCXEJYXGH-UHFFFAOYSA-N 0 1 381.274 3.151 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(F)cc1)Oc1ccc(Br)cc1 ZINC000439642605 567597093 /nfs/dbraw/zinc/59/70/93/567597093.db2.gz FKPCWSGXWSIEST-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN O=S1(=O)CC[C@H](NCCCOCC2CC2)c2cc(Br)ccc21 ZINC000480326630 567597259 /nfs/dbraw/zinc/59/72/59/567597259.db2.gz KHXQIYYDDHDANV-HNNXBMFYSA-N 0 1 388.327 3.074 20 0 GGADMN CCCCOCCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330841 567597573 /nfs/dbraw/zinc/59/75/73/567597573.db2.gz HWVVJWFFBYLVLS-OAHLLOKOSA-N 0 1 390.343 3.464 20 0 GGADMN CC(C)CNC(=O)CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530394481 567597770 /nfs/dbraw/zinc/59/77/70/567597770.db2.gz SCKIVKCWVDCSET-SFHVURJKSA-N 0 1 390.325 3.490 20 0 GGADMN CCN(C)c1ccc(CNCC(=O)Nc2ccc(Br)c(C)c2)cn1 ZINC000480371007 567598833 /nfs/dbraw/zinc/59/88/33/567598833.db2.gz OENFGTORZVAFDB-UHFFFAOYSA-N 0 1 391.313 3.337 20 0 GGADMN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530412805 567599241 /nfs/dbraw/zinc/59/92/41/567599241.db2.gz JWYKINHGVNIGJA-HOCLYGCPSA-N 0 1 379.291 3.499 20 0 GGADMN CCn1cc([C@@H](C)NC(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000459086058 567599317 /nfs/dbraw/zinc/59/93/17/567599317.db2.gz CGZNCOCGWPWRSR-SNVBAGLBSA-N 0 1 391.273 3.102 20 0 GGADMN O=C(Cc1ccc(Br)c(Cl)c1)Nc1nc(-c2ccncc2)n[nH]1 ZINC000645013646 567599543 /nfs/dbraw/zinc/59/95/43/567599543.db2.gz XLJOXLYOGHEDCW-UHFFFAOYSA-N 0 1 392.644 3.464 20 0 GGADMN CO[C@@]1(C)CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459138037 567599657 /nfs/dbraw/zinc/59/96/57/567599657.db2.gz ALTCKVNDQFASIZ-KRWDZBQOSA-N 0 1 395.301 3.426 20 0 GGADMN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000530413450 567599643 /nfs/dbraw/zinc/59/96/43/567599643.db2.gz IPGZEVKHEJGBOG-WBVHZDCISA-N 0 1 379.291 3.499 20 0 GGADMN COc1ccc(C(=O)COc2ccccc2Br)c2c1C(=O)CO2 ZINC000571929662 567599724 /nfs/dbraw/zinc/59/97/24/567599724.db2.gz LUYDOWDNUGKZOR-UHFFFAOYSA-N 0 1 377.190 3.295 20 0 GGADMN CC(C)[C@H](O)C(C)(C)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459137992 567600050 /nfs/dbraw/zinc/60/00/50/567600050.db2.gz AGQQWTBFALPNBP-HNNXBMFYSA-N 0 1 397.317 3.168 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC(F)(F)C(F)(F)C1 ZINC000459129861 567600220 /nfs/dbraw/zinc/60/02/20/567600220.db2.gz FKQOSJFNRQPCMU-UHFFFAOYSA-N 0 1 395.154 3.121 20 0 GGADMN O=S(=O)(N[C@@H](C1CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000571955052 567600818 /nfs/dbraw/zinc/60/08/18/567600818.db2.gz XVQFMMKKCRUFEE-JTQLQIEISA-N 0 1 376.169 3.207 20 0 GGADMN CO[C@]1(C)CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459138038 567600875 /nfs/dbraw/zinc/60/08/75/567600875.db2.gz ALTCKVNDQFASIZ-QGZVFWFLSA-N 0 1 395.301 3.426 20 0 GGADMN COC1CCC(N(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459139985 567600894 /nfs/dbraw/zinc/60/08/94/567600894.db2.gz BFSQALRDSNHOTN-UHFFFAOYSA-N 0 1 395.301 3.424 20 0 GGADMN CCO[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H]1C ZINC000459140790 567601104 /nfs/dbraw/zinc/60/11/04/567601104.db2.gz NOVNBHSZPWXQQO-SMDDNHRTSA-N 0 1 395.301 3.282 20 0 GGADMN CCc1nnsc1C(=O)Nc1nc(Sc2ccc(OC)cc2)ns1 ZINC000439746023 567601167 /nfs/dbraw/zinc/60/11/67/567601167.db2.gz MISZNIXGRDSFET-UHFFFAOYSA-N 0 1 379.492 3.364 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC[C@H](O)C1CCCCC1 ZINC000459138824 567601514 /nfs/dbraw/zinc/60/15/14/567601514.db2.gz ATQPWJVDLOGBCB-AWEZNQCLSA-N 0 1 395.301 3.066 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3nc(C)no3)n2)cc1Br ZINC000530437049 567602531 /nfs/dbraw/zinc/60/25/31/567602531.db2.gz FJTPJVTXGHGQKU-UHFFFAOYSA-N 0 1 382.243 3.227 20 0 GGADMN Cc1csc(NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000571963199 567602994 /nfs/dbraw/zinc/60/29/94/567602994.db2.gz WIQRLCDFMGGFIJ-GDBMZVCRSA-N 0 1 382.892 3.218 20 0 GGADMN CCN(CC(=O)NC(C)C)C(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000439810377 567604499 /nfs/dbraw/zinc/60/44/99/567604499.db2.gz BDJIPUQPEQWKMN-UHFFFAOYSA-N 0 1 388.339 3.191 20 0 GGADMN O=C(CCCC[NH+]1CCOCC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000530484454 567605417 /nfs/dbraw/zinc/60/54/17/567605417.db2.gz PXXNJMURICEQKT-UHFFFAOYSA-N 0 1 391.693 3.249 20 0 GGADMN Cc1nccnc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000621713973 567605581 /nfs/dbraw/zinc/60/55/81/567605581.db2.gz CSEZIUCEPQJFPD-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459198369 567606807 /nfs/dbraw/zinc/60/68/07/567606807.db2.gz HNZHHNPCEVNBGN-SMDDNHRTSA-N 0 1 395.301 3.018 20 0 GGADMN CSC[C@H]1CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459191651 567606839 /nfs/dbraw/zinc/60/68/39/567606839.db2.gz DTTKTUMBVJOBKZ-SNVBAGLBSA-N 0 1 383.315 3.362 20 0 GGADMN CCCCCN(CCO)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459198228 567607206 /nfs/dbraw/zinc/60/72/06/567607206.db2.gz HJZQTAGWJPGBLF-UHFFFAOYSA-N 0 1 383.290 3.020 20 0 GGADMN CCCCN(CCCO)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459199718 567607267 /nfs/dbraw/zinc/60/72/67/567607267.db2.gz HYHRQUMLHLIOLW-UHFFFAOYSA-N 0 1 383.290 3.020 20 0 GGADMN C[C@]1(CCCO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459187628 567607428 /nfs/dbraw/zinc/60/74/28/567607428.db2.gz CEDNHCBTKJVCCS-QGZVFWFLSA-N 0 1 395.301 3.162 20 0 GGADMN CCCc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)s1 ZINC000621716971 567607500 /nfs/dbraw/zinc/60/75/00/567607500.db2.gz SSKJHICQGOORAA-UHFFFAOYSA-N 0 1 398.516 3.489 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459213900 567608085 /nfs/dbraw/zinc/60/80/85/567608085.db2.gz NLXOQPUMMXABKY-LLVKDONJSA-N 0 1 381.274 3.036 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCS1 ZINC000459211980 567608268 /nfs/dbraw/zinc/60/82/68/567608268.db2.gz MHVAVWXFOLTSQT-SNVBAGLBSA-N 0 1 383.315 3.362 20 0 GGADMN CCC[C@]1(CO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459220497 567608705 /nfs/dbraw/zinc/60/87/05/567608705.db2.gz SMOKLVNREFWNRG-QGZVFWFLSA-N 0 1 395.301 3.162 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCCO1 ZINC000459220516 567608782 /nfs/dbraw/zinc/60/87/82/567608782.db2.gz SPFFHSBGEMWGKK-NSHDSACASA-N 0 1 381.274 3.036 20 0 GGADMN COC[C@@H]1CCCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459207795 567608825 /nfs/dbraw/zinc/60/88/25/567608825.db2.gz KRFYGAXEOVWMTL-GFCCVEGCSA-N 0 1 395.301 3.284 20 0 GGADMN CN(CC[C@@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218759 567608845 /nfs/dbraw/zinc/60/88/45/567608845.db2.gz RFFZCGZZWVFOBL-NSHDSACASA-N 0 1 381.274 3.036 20 0 GGADMN CCO[C@@H]1C[C@](O)(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1(C)C ZINC000530510339 567609079 /nfs/dbraw/zinc/60/90/79/567609079.db2.gz UDRHWFSTWPGZEU-PXAZEXFGSA-N 0 1 383.901 3.088 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2cccc(I)c2)n[nH]1 ZINC000459250622 567609752 /nfs/dbraw/zinc/60/97/52/567609752.db2.gz CZHGEEOLKIGFPO-UHFFFAOYSA-N 0 1 399.236 3.029 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CCN1CC(C)(C)O ZINC000480527480 567609807 /nfs/dbraw/zinc/60/98/07/567609807.db2.gz XDEXLAHAZTWPKY-LLVKDONJSA-N 0 1 384.307 3.392 20 0 GGADMN CC(C)(C)[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459229274 567610132 /nfs/dbraw/zinc/61/01/32/567610132.db2.gz ZVCGCDBKGAYJHQ-ZDUSSCGKSA-N 0 1 395.301 3.282 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H](CO)CC1CCCC1 ZINC000459222454 567610194 /nfs/dbraw/zinc/61/01/94/567610194.db2.gz VFTRNHBPTRRLHE-LBPRGKRZSA-N 0 1 395.301 3.066 20 0 GGADMN CCc1noc(C)c1C[N@@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000572049829 567610418 /nfs/dbraw/zinc/61/04/18/567610418.db2.gz SQHSJZMGGSELFS-MRXNPFEDSA-N 0 1 379.254 3.319 20 0 GGADMN CCc1noc(C)c1C[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000572049829 567610423 /nfs/dbraw/zinc/61/04/23/567610423.db2.gz SQHSJZMGGSELFS-MRXNPFEDSA-N 0 1 379.254 3.319 20 0 GGADMN CCCCOCCNC(=O)CN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645194283 567611072 /nfs/dbraw/zinc/61/10/72/567611072.db2.gz RFRCORQJVREGPM-LBPRGKRZSA-N 0 1 375.282 3.172 20 0 GGADMN C[C@@H](N[C@@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(F)c(Br)c1 ZINC000645195802 567611097 /nfs/dbraw/zinc/61/10/97/567611097.db2.gz WAOSAWNARLDWFK-HWPZZCPQSA-N 0 1 383.236 3.475 20 0 GGADMN Fc1cc(CNCc2cscc2C(F)(F)F)cnc1N1CCOCC1 ZINC000572083694 567611321 /nfs/dbraw/zinc/61/13/21/567611321.db2.gz RQSKNSNDBVJQCQ-UHFFFAOYSA-N 0 1 375.391 3.427 20 0 GGADMN O=C(NCc1cc(Br)ccc1F)c1n[nH]nc1-c1ccccc1 ZINC000506130928 567611750 /nfs/dbraw/zinc/61/17/50/567611750.db2.gz KXMSSTJMSLYBDD-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN [O-]c1c(F)cc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)cc1Br ZINC000621808730 567611945 /nfs/dbraw/zinc/61/19/45/567611945.db2.gz VILAXKNPTCNGTH-MRVPVSSYSA-N 0 1 379.189 3.270 20 0 GGADMN [O-]c1c(F)cc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)cc1Br ZINC000621808814 567612381 /nfs/dbraw/zinc/61/23/81/567612381.db2.gz XRELYFGBVBDPBP-MRVPVSSYSA-N 0 1 379.189 3.270 20 0 GGADMN CC(C)c1cc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)nn1C ZINC000530592398 567613656 /nfs/dbraw/zinc/61/36/56/567613656.db2.gz OUNNMWOMBFQYDE-UHFFFAOYSA-N 0 1 389.257 3.343 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000440068718 567613895 /nfs/dbraw/zinc/61/38/95/567613895.db2.gz HXCFPLDEEVYSQK-KBPBESRZSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000440068721 567613980 /nfs/dbraw/zinc/61/39/80/567613980.db2.gz HXCFPLDEEVYSQK-ZIAGYGMSSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@@H]1C[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)c2nccn21 ZINC000572110148 567614296 /nfs/dbraw/zinc/61/42/96/567614296.db2.gz JEAFYRNCXHITGK-CZUORRHYSA-N 0 1 391.313 3.290 20 0 GGADMN CC(C)N1CC[C@H](Sc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000530628611 567614512 /nfs/dbraw/zinc/61/45/12/567614512.db2.gz ICNGGSCKYHKYJR-LBPRGKRZSA-N 0 1 381.299 3.336 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000530612364 567615328 /nfs/dbraw/zinc/61/53/28/567615328.db2.gz ZVBXTJMDFHTINT-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083183 567615399 /nfs/dbraw/zinc/61/53/99/567615399.db2.gz SLWSNBGOYPSIIX-VXGBXAGGSA-N 0 1 382.423 3.243 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000440075861 567615725 /nfs/dbraw/zinc/61/57/25/567615725.db2.gz TZOZTEQZXOFFPJ-FZKQIMNGSA-N 0 1 382.913 3.318 20 0 GGADMN O=C(Nc1nnc(-c2ccsc2)s1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000621854029 567616796 /nfs/dbraw/zinc/61/67/96/567616796.db2.gz GXQODYPOQGBGMZ-VHSXEESVSA-N 0 1 393.412 3.189 20 0 GGADMN Cc1cc(C)n(CCN[C@H](C)c2cc3c(cc2Br)OCCO3)n1 ZINC000552922471 567617075 /nfs/dbraw/zinc/61/70/75/567617075.db2.gz FHHWDGQVBMUVTO-CYBMUJFWSA-N 0 1 380.286 3.384 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1c(F)cccc1Br ZINC000530674758 567618065 /nfs/dbraw/zinc/61/80/65/567618065.db2.gz GJVPUDLHWWWWHJ-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1c(F)cccc1Br ZINC000530674758 567618069 /nfs/dbraw/zinc/61/80/69/567618069.db2.gz GJVPUDLHWWWWHJ-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN CN(C1CCN(C)CC1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000506241430 567618258 /nfs/dbraw/zinc/61/82/58/567618258.db2.gz OAOOTQGQRYCKOJ-UHFFFAOYSA-N 0 1 385.942 3.178 20 0 GGADMN COCCN1CC[C@H](NC(=O)c2cc(Br)c3ccccc3c2)C1 ZINC000645340703 567619172 /nfs/dbraw/zinc/61/91/72/567619172.db2.gz FXOBXYUUGOMTMQ-HNNXBMFYSA-N 0 1 377.282 3.053 20 0 GGADMN C[C@@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(F)(F)F ZINC000480664047 567620067 /nfs/dbraw/zinc/62/00/67/567620067.db2.gz ODIGVWKKLSWBKY-GZMMTYOYSA-N 0 1 386.233 3.456 20 0 GGADMN C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(F)(F)F ZINC000480664073 567620098 /nfs/dbraw/zinc/62/00/98/567620098.db2.gz ODIGVWKKLSWBKY-LDYMZIIASA-N 0 1 386.233 3.456 20 0 GGADMN COCc1cc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)no1 ZINC000459388517 567620213 /nfs/dbraw/zinc/62/02/13/567620213.db2.gz FUVGJNSTKGGXEK-ZDUSSCGKSA-N 0 1 380.286 3.200 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n[nH]1 ZINC000480680296 567620145 /nfs/dbraw/zinc/62/01/45/567620145.db2.gz KWKHLIMVQPOUNY-SNVBAGLBSA-N 0 1 376.404 3.072 20 0 GGADMN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Br)cc2C)[C@@H]1SC ZINC000459384291 567620655 /nfs/dbraw/zinc/62/06/55/567620655.db2.gz HZJLUQILMIFQTO-LZWOXQAQSA-N 0 1 387.343 3.195 20 0 GGADMN COC(=O)CC1(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000459383399 567620685 /nfs/dbraw/zinc/62/06/85/567620685.db2.gz BMUFQUARAQVYNO-UHFFFAOYSA-N 0 1 378.778 3.373 20 0 GGADMN C[C@H](NCCn1cc(Cl)cn1)c1cc2c(cc1Br)OCCO2 ZINC000459394653 567621071 /nfs/dbraw/zinc/62/10/71/567621071.db2.gz OIPRBUJREPKGGR-JTQLQIEISA-N 0 1 386.677 3.421 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Br)c(OC)s1 ZINC000572205349 567621268 /nfs/dbraw/zinc/62/12/68/567621268.db2.gz FAMBEEGJQISFLB-NSHDSACASA-N 0 1 375.332 3.400 20 0 GGADMN COCCN1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000506295727 567621473 /nfs/dbraw/zinc/62/14/73/567621473.db2.gz STPFNVUNTXYSOJ-UHFFFAOYSA-N 0 1 381.236 3.232 20 0 GGADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)c(Cl)c1 ZINC000572199414 567621415 /nfs/dbraw/zinc/62/14/15/567621415.db2.gz SOSKUBJUUSDUGG-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN COCCC[C@@H](CNC(=O)CN(C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000553029159 567621378 /nfs/dbraw/zinc/62/13/78/567621378.db2.gz XOTQPUPTRRONFF-WMZOPIPTSA-N 0 1 384.973 3.404 20 0 GGADMN COCCC[C@@H](CNC(=O)CN(C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000553029157 567621413 /nfs/dbraw/zinc/62/14/13/567621413.db2.gz XOTQPUPTRRONFF-FUHWJXTLSA-N 0 1 384.973 3.404 20 0 GGADMN COc1ccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C ZINC000506307545 567621588 /nfs/dbraw/zinc/62/15/88/567621588.db2.gz GTDCWNIKXAVAPX-UHFFFAOYSA-N 0 1 380.535 3.008 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000530767136 567622145 /nfs/dbraw/zinc/62/21/45/567622145.db2.gz AGTPKHVUMRQNAS-IPALMDDQSA-N 0 1 378.314 3.229 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000665369533 567622916 /nfs/dbraw/zinc/62/29/16/567622916.db2.gz MDLMYESOIFGUDV-UHFFFAOYSA-N 0 1 393.774 3.027 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000506340925 567623069 /nfs/dbraw/zinc/62/30/69/567623069.db2.gz NVOXWWQTIRZDNP-LBPRGKRZSA-N 0 1 379.555 3.321 20 0 GGADMN O=C(CNC1(c2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1 ZINC000553054325 567623283 /nfs/dbraw/zinc/62/32/83/567623283.db2.gz WZOLEBNJRHRENA-UHFFFAOYSA-N 0 1 389.249 3.395 20 0 GGADMN CN(C)S(=O)(=O)CCCN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440319642 567623334 /nfs/dbraw/zinc/62/33/34/567623334.db2.gz VAXDAIPXLZGCQO-AWEZNQCLSA-N 0 1 395.352 3.118 20 0 GGADMN CN(C)S(=O)(=O)CCCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440319644 567623822 /nfs/dbraw/zinc/62/38/22/567623822.db2.gz VAXDAIPXLZGCQO-CQSZACIVSA-N 0 1 395.352 3.118 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cncc(Br)c2)N2CCCC2)o1 ZINC000506384895 567623793 /nfs/dbraw/zinc/62/37/93/567623793.db2.gz ODZMUQBZERCWFA-OAHLLOKOSA-N 0 1 378.270 3.312 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)NCc1nc2cccc(Cl)c2n1C ZINC000480713479 567623815 /nfs/dbraw/zinc/62/38/15/567623815.db2.gz VXGBQFKZOLNORN-SNVBAGLBSA-N 0 1 382.693 3.364 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cccc(Br)c1F ZINC000506378287 567624342 /nfs/dbraw/zinc/62/43/42/567624342.db2.gz IIUQNGGLLYIMFD-CQSZACIVSA-N 0 1 389.228 3.420 20 0 GGADMN CCOc1cc(CNCCS(=O)(=O)c2ccc(F)cc2)cc(Cl)c1O ZINC000459438494 567624394 /nfs/dbraw/zinc/62/43/94/567624394.db2.gz UFSIGWSYZCGFAP-UHFFFAOYSA-N 0 1 387.860 3.147 20 0 GGADMN C[C@@H]1C[C@H](N[C@@H]2CCc3sc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000645436348 567624684 /nfs/dbraw/zinc/62/46/84/567624684.db2.gz NPSXEEVWHAPTGQ-WQAKAFBOSA-N 0 1 395.326 3.015 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cncc(Br)c2)cc1 ZINC000572257899 567625124 /nfs/dbraw/zinc/62/51/24/567625124.db2.gz DMAXBBDJXJSVOE-VXGBXAGGSA-N 0 1 398.326 3.164 20 0 GGADMN O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncccc1C(F)(F)F ZINC000645454763 567626395 /nfs/dbraw/zinc/62/63/95/567626395.db2.gz YOVRLCZDWNEJLM-BDAKNGLRSA-N 0 1 376.322 3.500 20 0 GGADMN N#Cc1cc(Br)ccc1N1CCC(CCN2CCOCC2)CC1 ZINC000572276617 567626530 /nfs/dbraw/zinc/62/65/30/567626530.db2.gz WIWCIUGZVKYVPL-UHFFFAOYSA-N 0 1 378.314 3.259 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nc2c(s1)COCC2)c1ccc(Cl)cc1 ZINC000530837250 567627049 /nfs/dbraw/zinc/62/70/49/567627049.db2.gz MYDQZLOHIXDFSC-CQSZACIVSA-N 0 1 380.901 3.294 20 0 GGADMN Fc1ccc(CC2(NCc3ncccn3)CCOCC2)c(Br)c1 ZINC000572261970 567627179 /nfs/dbraw/zinc/62/71/79/567627179.db2.gz OQCOJPYOHMKSOK-UHFFFAOYSA-N 0 1 380.261 3.260 20 0 GGADMN CC(C)[C@](C)(NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000459472133 567627331 /nfs/dbraw/zinc/62/73/31/567627331.db2.gz CQMPDJQLSYQEFC-QAPCUYQASA-N 0 1 386.323 3.147 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)[nH]1 ZINC000621981219 567627439 /nfs/dbraw/zinc/62/74/39/567627439.db2.gz HPODVWLYWYMXAX-UHFFFAOYSA-N 0 1 391.269 3.277 20 0 GGADMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)NCCN1CCC1 ZINC000506489046 567627728 /nfs/dbraw/zinc/62/77/28/567627728.db2.gz LLGSFHBNUPQBQW-IAQYHMDHSA-N 0 1 384.343 3.237 20 0 GGADMN COC(=O)c1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2)o1 ZINC000572287211 567628146 /nfs/dbraw/zinc/62/81/46/567628146.db2.gz HIZUPFABKKEVEB-ZDUSSCGKSA-N 0 1 379.254 3.197 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc3c(cc2Br)OCO3)n[nH]1 ZINC000621972912 567628214 /nfs/dbraw/zinc/62/82/14/567628214.db2.gz VVJXPQOEPFJZOR-IUCAKERBSA-N 0 1 395.257 3.300 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc3c(cc2Br)OCO3)n[nH]1 ZINC000621972913 567628370 /nfs/dbraw/zinc/62/83/70/567628370.db2.gz VVJXPQOEPFJZOR-RKDXNWHRSA-N 0 1 395.257 3.300 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn3cc(Br)cc(C)c3n2)[C@@H]1SC ZINC000459493995 567629135 /nfs/dbraw/zinc/62/91/35/567629135.db2.gz ZRVLLPCQTREZOY-ZNMIVQPWSA-N 0 1 384.343 3.404 20 0 GGADMN CCc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)c1 ZINC000506552693 567631443 /nfs/dbraw/zinc/63/14/43/567631443.db2.gz MTSZSZSVXUJSJL-UHFFFAOYSA-N 0 1 382.869 3.071 20 0 GGADMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C)cc(C)c2)c1OC ZINC000506553259 567631698 /nfs/dbraw/zinc/63/16/98/567631698.db2.gz WVERGTGSFZLBAR-UHFFFAOYSA-N 0 1 382.869 3.126 20 0 GGADMN Cc1nc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c(Br)s1 ZINC000553158412 567632069 /nfs/dbraw/zinc/63/20/69/567632069.db2.gz XDNGPXSGOKWQBG-UHFFFAOYSA-N 0 1 395.282 3.386 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2nc(C)sc2Br)N(C)C)c1 ZINC000553177506 567633712 /nfs/dbraw/zinc/63/37/12/567633712.db2.gz FKXDOGOJMGPQDT-ZDUSSCGKSA-N 0 1 398.326 3.255 20 0 GGADMN CCN(CC)C(=O)CN1CCCN(Cc2ccc(Br)cc2C)CC1 ZINC000506617652 567634149 /nfs/dbraw/zinc/63/41/49/567634149.db2.gz QTDUTIJLEXBUKB-UHFFFAOYSA-N 0 1 396.373 3.134 20 0 GGADMN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H]1SC ZINC000459523220 567634487 /nfs/dbraw/zinc/63/44/87/567634487.db2.gz SHAJDZNYADMAOJ-QXSJWSMHSA-N 0 1 399.354 3.053 20 0 GGADMN CCCN1Cc2cccc(NS(=O)(=O)c3cncc(Br)c3)c2C1 ZINC000506618204 567634547 /nfs/dbraw/zinc/63/45/47/567634547.db2.gz LRXMCTUPNJAQLV-UHFFFAOYSA-N 0 1 396.310 3.371 20 0 GGADMN COC(=O)CC1(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000440595687 567634630 /nfs/dbraw/zinc/63/46/30/567634630.db2.gz IGOSKMSMLPPJOT-NSHDSACASA-N 0 1 384.270 3.214 20 0 GGADMN Cc1cnc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cn1 ZINC000506640041 567635021 /nfs/dbraw/zinc/63/50/21/567635021.db2.gz SJKPKQOKUWGVNG-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CC1=CCN(CCNC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000506650259 567635237 /nfs/dbraw/zinc/63/52/37/567635237.db2.gz XWOUQVOTXFAFAY-UHFFFAOYSA-N 0 1 387.705 3.250 20 0 GGADMN O=S(=O)(Nc1cc(Br)ccc1-n1cccn1)c1ccsc1 ZINC000506639480 567635292 /nfs/dbraw/zinc/63/52/92/567635292.db2.gz KAWQILSNNHGQSN-UHFFFAOYSA-N 0 1 384.280 3.497 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1Cl)N(C)C1CC1 ZINC000645515025 567635602 /nfs/dbraw/zinc/63/56/02/567635602.db2.gz DGBVRYJDGGMLFZ-JTQLQIEISA-N 0 1 395.750 3.005 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)cn1 ZINC000506634923 567635765 /nfs/dbraw/zinc/63/57/65/567635765.db2.gz VDIHEXHFSSJBQU-UHFFFAOYSA-N 0 1 395.897 3.124 20 0 GGADMN O=C1C[C@H](NCc2cc(C(F)(F)F)n[nH]2)CN1c1ccc(Cl)c(F)c1 ZINC000440626603 567635990 /nfs/dbraw/zinc/63/59/90/567635990.db2.gz REDHBUXNVZVQKT-VIFPVBQESA-N 0 1 376.741 3.116 20 0 GGADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1csnn1 ZINC000665692839 567636135 /nfs/dbraw/zinc/63/61/35/567636135.db2.gz PHTPAHIVFDOCBX-LBPRGKRZSA-N 0 1 379.917 3.216 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1nc2ccccc2s1)c1nc(C2CC2)no1 ZINC000572397736 567636326 /nfs/dbraw/zinc/63/63/26/567636326.db2.gz KIVXBABOHDXQCX-ZDUSSCGKSA-N 0 1 378.479 3.232 20 0 GGADMN CSCC[C@H](NCc1cc(Br)c(Cl)s1)C(=O)N(C)C ZINC000572399622 567636790 /nfs/dbraw/zinc/63/67/90/567636790.db2.gz QPXJOUAXCLLPHR-JTQLQIEISA-N 0 1 385.780 3.464 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2)c(O)c1 ZINC000506660494 567637238 /nfs/dbraw/zinc/63/72/38/567637238.db2.gz JTCAHOFGDNJFPB-UHFFFAOYSA-N 0 1 383.853 3.207 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc(F)cc2nc[nH]c21 ZINC000506654760 567637350 /nfs/dbraw/zinc/63/73/50/567637350.db2.gz VUHLBZOVCQNDOA-CYBMUJFWSA-N 0 1 394.175 3.467 20 0 GGADMN O=C(NCc1cc(F)c(F)cc1Br)c1csc(=NC2CC2)[nH]1 ZINC000553247791 567637939 /nfs/dbraw/zinc/63/79/39/567637939.db2.gz PVIIFMVDYCTOMY-UHFFFAOYSA-N 0 1 388.237 3.110 20 0 GGADMN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cncc(Br)c1 ZINC000506674087 567638326 /nfs/dbraw/zinc/63/83/26/567638326.db2.gz GBAIIZQZSGGOCR-UHFFFAOYSA-N 0 1 397.279 3.163 20 0 GGADMN C[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413789 567638463 /nfs/dbraw/zinc/63/84/63/567638463.db2.gz URNWDSCBSMGREW-YOEHRIQHSA-N 0 1 392.249 3.347 20 0 GGADMN Cn1cc(C[C@@H]2CCN(CC[S@](=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000531104568 567639907 /nfs/dbraw/zinc/63/99/07/567639907.db2.gz JGDAWEXSEKELIZ-RZFZLAGVSA-N 0 1 386.348 3.399 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000531088848 567640168 /nfs/dbraw/zinc/64/01/68/567640168.db2.gz GSTHEBOLDICFQS-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(CSC)c2)c1 ZINC000531106325 567640297 /nfs/dbraw/zinc/64/02/97/567640297.db2.gz ZOVZNOVBHXJBFC-UHFFFAOYSA-N 0 1 381.475 3.146 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2c(Cl)cccc2Br)C[C@H](C)O1 ZINC000665817653 567640424 /nfs/dbraw/zinc/64/04/24/567640424.db2.gz WXHGZHNQJHVVHA-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN COc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000665835300 567640724 /nfs/dbraw/zinc/64/07/24/567640724.db2.gz PUIFZFSTUXVSBH-MRVPVSSYSA-N 0 1 385.649 3.288 20 0 GGADMN CON1CCC(N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000459588733 567640851 /nfs/dbraw/zinc/64/08/51/567640851.db2.gz PLBOJALWOXRBFB-UHFFFAOYSA-N 0 1 379.810 3.255 20 0 GGADMN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000440747104 567641990 /nfs/dbraw/zinc/64/19/90/567641990.db2.gz KZUXFYIINLIQMQ-MRVPVSSYSA-N 0 1 390.130 3.018 20 0 GGADMN COc1ccc(Br)cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000531126381 567642041 /nfs/dbraw/zinc/64/20/41/567642041.db2.gz LAUBDWDKUBZLPK-UHFFFAOYSA-N 0 1 392.228 3.446 20 0 GGADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCN1CC=CCC1 ZINC000506773650 567642857 /nfs/dbraw/zinc/64/28/57/567642857.db2.gz RPEOOSCRWCDNDW-GFCCVEGCSA-N 0 1 387.705 3.248 20 0 GGADMN Cc1cccc2ncc(CNCc3cc(Br)c4c(c3)OCCO4)n21 ZINC000531142267 567643046 /nfs/dbraw/zinc/64/30/46/567643046.db2.gz NFRWKJLUHGBBBW-UHFFFAOYSA-N 0 1 388.265 3.466 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@@H]1c1ncon1 ZINC000572496782 567643229 /nfs/dbraw/zinc/64/32/29/567643229.db2.gz XBVNUCMDFMNKAX-LLVKDONJSA-N 0 1 388.225 3.200 20 0 GGADMN CCN1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[C@@H](C)C1 ZINC000553315480 567643331 /nfs/dbraw/zinc/64/33/31/567643331.db2.gz INUFRWBVEDUQBH-IXDGSTSKSA-N 0 1 377.326 3.206 20 0 GGADMN CCN1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[C@H](C)C1 ZINC000553315479 567643419 /nfs/dbraw/zinc/64/34/19/567643419.db2.gz INUFRWBVEDUQBH-FMEYXAORSA-N 0 1 377.326 3.206 20 0 GGADMN CCN1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[C@@H](C)C1 ZINC000553315481 567643464 /nfs/dbraw/zinc/64/34/64/567643464.db2.gz INUFRWBVEDUQBH-SOVGHPHASA-N 0 1 377.326 3.206 20 0 GGADMN CCN1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[C@H](C)C1 ZINC000553315482 567643565 /nfs/dbraw/zinc/64/35/65/567643565.db2.gz INUFRWBVEDUQBH-XVGQJIODSA-N 0 1 377.326 3.206 20 0 GGADMN O=C(N[C@H](CO)CN1CCCCC1)c1cnc(-c2ccccc2Cl)s1 ZINC000665888280 567643541 /nfs/dbraw/zinc/64/35/41/567643541.db2.gz PFMHRYUCSNHTIS-ZDUSSCGKSA-N 0 1 379.913 3.040 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cncc(Br)c2)C1=O ZINC000572497962 567643992 /nfs/dbraw/zinc/64/39/92/567643992.db2.gz DIGZCALMJYTFMR-SWLSCSKDSA-N 0 1 390.281 3.309 20 0 GGADMN CC(C)n1cc([C@H](C)NC(=O)[C@@](C)(N)c2ccc(Br)cc2)cn1 ZINC000572517236 567645186 /nfs/dbraw/zinc/64/51/86/567645186.db2.gz HXVFYPJJVNMGCC-SJCJKPOMSA-N 0 1 379.302 3.278 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2cccc(Br)c2)c1 ZINC000459646148 567645606 /nfs/dbraw/zinc/64/56/06/567645606.db2.gz MABOORQBGCSYEH-UHFFFAOYSA-N 0 1 383.311 3.037 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2ccc(Br)c(C)c2)c1 ZINC000459647707 567646223 /nfs/dbraw/zinc/64/62/23/567646223.db2.gz OPZDYKXUHWFCSC-UHFFFAOYSA-N 0 1 397.338 3.346 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNCc1cnc2cccc(C)n12 ZINC000553370816 567647186 /nfs/dbraw/zinc/64/71/86/567647186.db2.gz MGYXKTXYDJJLQW-UHFFFAOYSA-N 0 1 387.281 3.442 20 0 GGADMN O=C(Cc1ccc(I)cc1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506914579 567648586 /nfs/dbraw/zinc/64/85/86/567648586.db2.gz VVDMZOWTRJLIPX-UHFFFAOYSA-N 0 1 395.122 3.214 20 0 GGADMN O=C(COc1ccc(Br)cc1F)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506912788 567648805 /nfs/dbraw/zinc/64/88/05/567648805.db2.gz SFGBTBCRSWIYKV-UHFFFAOYSA-N 0 1 382.111 3.348 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(F)cc1I ZINC000506915506 567648823 /nfs/dbraw/zinc/64/88/23/567648823.db2.gz GKBISWHARVVBCE-UHFFFAOYSA-N 0 1 399.085 3.425 20 0 GGADMN CC(C)(C)c1nc(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)n[nH]1 ZINC000459666585 567648851 /nfs/dbraw/zinc/64/88/51/567648851.db2.gz CAXCKXUCGAQDCE-UHFFFAOYSA-N 0 1 380.283 3.280 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CCN1C ZINC000506891338 567649018 /nfs/dbraw/zinc/64/90/18/567649018.db2.gz OAKCCWGQSRRXRQ-KRWDZBQOSA-N 0 1 391.313 3.047 20 0 GGADMN CCCCOCCNC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000506890407 567649045 /nfs/dbraw/zinc/64/90/45/567649045.db2.gz QXZWQPCAQBFESP-UHFFFAOYSA-N 0 1 383.330 3.351 20 0 GGADMN O=[S@@](CCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459667856 567649075 /nfs/dbraw/zinc/64/90/75/567649075.db2.gz SMMRAAAALJBBBL-CPJLOUKISA-N 0 1 375.456 3.475 20 0 GGADMN COC(=O)CCn1nc(C)c(CNCc2ccc(Br)c(C)c2)c1C ZINC000459667114 567649114 /nfs/dbraw/zinc/64/91/14/567649114.db2.gz SATGJJCFXIHZRQ-UHFFFAOYSA-N 0 1 394.313 3.424 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000622521382 567649307 /nfs/dbraw/zinc/64/93/07/567649307.db2.gz PNCGVOXJPCGTIR-LBPRGKRZSA-N 0 1 377.725 3.435 20 0 GGADMN CC1(C)CN(C[C@H](O)COc2ccc(Br)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440943776 567649382 /nfs/dbraw/zinc/64/93/82/567649382.db2.gz RLHRXZWBJPFUMY-USXIJHARSA-N 0 1 384.314 3.221 20 0 GGADMN CC[C@@H](C(=O)NCCCn1cc(Br)cn1)N(C)Cc1ccccc1 ZINC000572568865 567649421 /nfs/dbraw/zinc/64/94/21/567649421.db2.gz GZOVAXKZXRNFMF-KRWDZBQOSA-N 0 1 393.329 3.063 20 0 GGADMN Cc1cc(CS(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)on1 ZINC000531245040 567649544 /nfs/dbraw/zinc/64/95/44/567649544.db2.gz HBFUTTSCXZQFHO-HNNXBMFYSA-N 0 1 380.857 3.180 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000531261862 567649900 /nfs/dbraw/zinc/64/99/00/567649900.db2.gz ZDMRVDPJZNTUSB-UHFFFAOYSA-N 0 1 377.901 3.456 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1csc(=NC2CC2)[nH]1 ZINC000622551392 567649971 /nfs/dbraw/zinc/64/99/71/567649971.db2.gz PPFCLTFFRKLCQC-GFCCVEGCSA-N 0 1 397.331 3.455 20 0 GGADMN CCOc1cc(CNCc2n[nH]c(C(C)(C)C)n2)cc(Br)c1O ZINC000459685429 567650037 /nfs/dbraw/zinc/65/00/37/567650037.db2.gz VVJLQIZQYQHDBJ-UHFFFAOYSA-N 0 1 383.290 3.259 20 0 GGADMN COc1cc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc(OC)c1Br ZINC000506924702 567650389 /nfs/dbraw/zinc/65/03/89/567650389.db2.gz ZFAPZHXGYUECKK-UHFFFAOYSA-N 0 1 394.147 3.461 20 0 GGADMN COc1cc(Br)c(CNCc2n[nH]c(C(C)(C)C)n2)c(OC)c1 ZINC000459677519 567650497 /nfs/dbraw/zinc/65/04/97/567650497.db2.gz MVUHHLFZWBITPU-UHFFFAOYSA-N 0 1 383.290 3.172 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[nH]1 ZINC000531293069 567650698 /nfs/dbraw/zinc/65/06/98/567650698.db2.gz QAGGCTVZIKMHNQ-QWHCGFSZSA-N 0 1 381.299 3.030 20 0 GGADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc(Br)cc1Cl ZINC000622609872 567651303 /nfs/dbraw/zinc/65/13/03/567651303.db2.gz JWJKPPPVGPCTAK-CYBMUJFWSA-N 0 1 392.644 3.135 20 0 GGADMN COc1cccc2c1C[C@@H](NCc1cc(O)c(OC)cc1Br)C2 ZINC000459690859 567651627 /nfs/dbraw/zinc/65/16/27/567651627.db2.gz FUCAICVXHWFQRU-ZDUSSCGKSA-N 0 1 378.266 3.429 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(NCC2CC2)nc1 ZINC000506953140 567651845 /nfs/dbraw/zinc/65/18/45/567651845.db2.gz MCOVHTHXGDMIQX-UHFFFAOYSA-N 0 1 386.253 3.217 20 0 GGADMN O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000481023313 567652096 /nfs/dbraw/zinc/65/20/96/567652096.db2.gz MYTWEXHXMRMNTP-OAHLLOKOSA-N 0 1 376.444 3.040 20 0 GGADMN Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000531302541 567652298 /nfs/dbraw/zinc/65/22/98/567652298.db2.gz OBJFERNJEBQJDQ-UHFFFAOYSA-N 0 1 379.913 3.201 20 0 GGADMN Cc1cn2[nH]c(=N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)sc2n1 ZINC000481040520 567652616 /nfs/dbraw/zinc/65/26/16/567652616.db2.gz PCBUDFIIVSGJHH-LLVKDONJSA-N 0 1 376.791 3.339 20 0 GGADMN OCC1(NCc2coc(-c3ccc(Br)cc3)n2)CCSCC1 ZINC000459711771 567652785 /nfs/dbraw/zinc/65/27/85/567652785.db2.gz MHTIYUZCGOGMKU-UHFFFAOYSA-N 0 1 383.311 3.452 20 0 GGADMN COC(=O)[C@@](C)(NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000572615238 567653123 /nfs/dbraw/zinc/65/31/23/567653123.db2.gz UXPNJFZFPFYJLX-BTDLBPIBSA-N 0 1 384.263 3.100 20 0 GGADMN COC(=O)[C@](C)(NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000572615239 567653505 /nfs/dbraw/zinc/65/35/05/567653505.db2.gz UXPNJFZFPFYJLX-DYZYQPBXSA-N 0 1 384.263 3.100 20 0 GGADMN COC(=O)[C@@](C)(NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000572615240 567653634 /nfs/dbraw/zinc/65/36/34/567653634.db2.gz UXPNJFZFPFYJLX-QGHHPUGFSA-N 0 1 384.263 3.100 20 0 GGADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000572609242 567653748 /nfs/dbraw/zinc/65/37/48/567653748.db2.gz HPWGATPSEPXICF-PLMOITTCSA-N 0 1 398.282 3.246 20 0 GGADMN COC(=O)[C@](C)(NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000572615237 567653841 /nfs/dbraw/zinc/65/38/41/567653841.db2.gz UXPNJFZFPFYJLX-BMLIUANNSA-N 0 1 384.263 3.100 20 0 GGADMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)c(C)c1 ZINC000507005743 567654201 /nfs/dbraw/zinc/65/42/01/567654201.db2.gz ACIHGRODEDHOEB-GFCCVEGCSA-N 0 1 381.885 3.373 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000507019228 567654508 /nfs/dbraw/zinc/65/45/08/567654508.db2.gz ACMXHTIEBQSGCQ-UHFFFAOYSA-N 0 1 377.249 3.214 20 0 GGADMN O=S(=O)(Nc1ccc(OCC2CCOCC2)cc1)c1cncc(Cl)c1 ZINC000507019039 567654801 /nfs/dbraw/zinc/65/48/01/567654801.db2.gz CLMXKAPXLFAFCO-UHFFFAOYSA-N 0 1 382.869 3.341 20 0 GGADMN COc1cccc2c1C[C@@H](NCc1ncc(I)s1)C2 ZINC000459723409 567654972 /nfs/dbraw/zinc/65/49/72/567654972.db2.gz IPQKLFHHGFFTNB-JTQLQIEISA-N 0 1 386.258 3.013 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2ncc(C(C)(C)C)s2)CC1 ZINC000572648195 567655120 /nfs/dbraw/zinc/65/51/20/567655120.db2.gz RNMSQIAWXCKNHP-AWEZNQCLSA-N 0 1 387.615 3.323 20 0 GGADMN COC(=O)CCSc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507026072 567656009 /nfs/dbraw/zinc/65/60/09/567656009.db2.gz MHAJFSZEDYHXJN-UHFFFAOYSA-N 0 1 386.882 3.191 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1Cc2cccc(OC)c2C1 ZINC000459733757 567656185 /nfs/dbraw/zinc/65/61/85/567656185.db2.gz SVBCAJZOFCASSJ-OAHLLOKOSA-N 0 1 379.909 3.399 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3ccc(Cl)cc3Br)CC2)nn1 ZINC000572663837 567656384 /nfs/dbraw/zinc/65/63/84/567656384.db2.gz XOODPYZTPTZBDG-UHFFFAOYSA-N 0 1 399.676 3.229 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(C)cc1Br ZINC000507052641 567657062 /nfs/dbraw/zinc/65/70/62/567657062.db2.gz MAEQVNYCHPURHK-GJZGRUSLSA-N 0 1 383.330 3.295 20 0 GGADMN COc1ccc([C@@H](CO)CNCc2ccc(OC)c(O)c2Br)cc1 ZINC000459754234 567657625 /nfs/dbraw/zinc/65/76/25/567657625.db2.gz PRCPIODWQLIBDL-CQSZACIVSA-N 0 1 396.281 3.038 20 0 GGADMN Cc1nc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)nc2ccccc12 ZINC000553479866 567657738 /nfs/dbraw/zinc/65/77/38/567657738.db2.gz QMFZFCXVZXKNOJ-UHFFFAOYSA-N 0 1 383.807 3.348 20 0 GGADMN O=C1CCN1c1cccc(CNCc2cc(Br)cc3c2OCC3)c1 ZINC000441230060 567658110 /nfs/dbraw/zinc/65/81/10/567658110.db2.gz UTNHXEYPVXBPJY-UHFFFAOYSA-N 0 1 387.277 3.411 20 0 GGADMN C[C@@H](O)CN(CC(=O)NCc1cccs1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441252226 567658138 /nfs/dbraw/zinc/65/81/38/567658138.db2.gz AIJHOLZQSRZJSB-HUUCEWRRSA-N 0 1 380.941 3.332 20 0 GGADMN COc1ccc(CNCc2cccc(N3CCC3=O)c2)cc1Br ZINC000441241644 567658167 /nfs/dbraw/zinc/65/81/67/567658167.db2.gz YWQPWEITHQKEMR-UHFFFAOYSA-N 0 1 375.266 3.484 20 0 GGADMN CC(C)S(=O)(=O)CCCN(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441265376 567659080 /nfs/dbraw/zinc/65/90/80/567659080.db2.gz MDLRCBOBJNMXAY-JKSUJKDBSA-N 0 1 375.962 3.167 20 0 GGADMN COc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)cc1Br ZINC000553503476 567660354 /nfs/dbraw/zinc/66/03/54/567660354.db2.gz AAMKGRHTFVHIHY-UHFFFAOYSA-N 0 1 389.293 3.414 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000553506766 567660477 /nfs/dbraw/zinc/66/04/77/567660477.db2.gz NKFHUCWUUPWCDO-UHFFFAOYSA-N 0 1 375.266 3.111 20 0 GGADMN O=S(=O)(NCCNCc1sccc1Cl)c1ccc(Cl)cc1F ZINC000441388740 567662595 /nfs/dbraw/zinc/66/25/95/567662595.db2.gz TZQFIUUEQGQNBK-UHFFFAOYSA-N 0 1 383.297 3.262 20 0 GGADMN C[C@](CO)(CNS(=O)(=O)c1c(Cl)ccc(F)c1F)Cc1ccccc1 ZINC000553541209 567663893 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COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000596991438 567668028 /nfs/dbraw/zinc/66/80/28/567668028.db2.gz LWUZVWYATNUODV-QMMMGPOBSA-N 0 1 395.091 3.158 20 0 GGADMN C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441532678 567668100 /nfs/dbraw/zinc/66/81/00/567668100.db2.gz HMKXYAXPFZXUJX-MLGOLLRUSA-N 0 1 382.917 3.472 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000666359150 567668197 /nfs/dbraw/zinc/66/81/97/567668197.db2.gz QOCMKXALSDQQCJ-UHFFFAOYSA-N 0 1 378.274 3.436 20 0 GGADMN CC[N@@H+](CCC(=O)OC)Cc1cc(Br)c([O-])c(Br)c1 ZINC000596991592 567668203 /nfs/dbraw/zinc/66/82/03/567668203.db2.gz MAEVHXJTQHWRJE-UHFFFAOYSA-N 0 1 395.091 3.302 20 0 GGADMN CC1CCN(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000441538511 567668646 /nfs/dbraw/zinc/66/86/46/567668646.db2.gz ZYRIEPPOIMBVCK-MRXNPFEDSA-N 0 1 382.917 3.330 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(Cl)cc3SC)C2)CC1 ZINC000596976665 567669040 /nfs/dbraw/zinc/66/90/40/567669040.db2.gz 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GGADMN CC1(C)[C@H](NCc2cn(-c3ccccc3Br)nn2)[C@@H]2CCCO[C@H]21 ZINC000553776953 567682940 /nfs/dbraw/zinc/68/29/40/567682940.db2.gz HJSIEJJTLVRESS-IAOVAPTHSA-N 0 1 391.313 3.323 20 0 GGADMN Cc1nc2ccccc2n1CCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553773610 567684098 /nfs/dbraw/zinc/68/40/98/567684098.db2.gz PTIFGZHOSHBWOQ-UHFFFAOYSA-N 0 1 385.823 3.255 20 0 GGADMN CC1(C)[C@H](NCc2cn(-c3ccccc3Br)nn2)[C@H]2CCCO[C@H]21 ZINC000553776955 567684164 /nfs/dbraw/zinc/68/41/64/567684164.db2.gz HJSIEJJTLVRESS-KBRIMQKVSA-N 0 1 391.313 3.323 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc4cc(Cl)ccc4s3)C2)CC1 ZINC000597166839 567685320 /nfs/dbraw/zinc/68/53/20/567685320.db2.gz SCMHBBLESLDYGU-MRXNPFEDSA-N 0 1 377.941 3.407 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCOC[C@@H]1C1CCC1 ZINC000573087142 567685937 /nfs/dbraw/zinc/68/59/37/567685937.db2.gz UWUAGGCEYYRHSY-CQSZACIVSA-N 0 1 393.285 3.036 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(C)=O)c2)cc1OC ZINC000507561830 567686688 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O=S(=O)(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000554918185 567756138 /nfs/dbraw/zinc/75/61/38/567756138.db2.gz BBPDFGUZMZBILH-SJKOYZFVSA-N 0 1 387.835 3.063 20 0 GGADMN COCCOc1ccc(CNc2ccnc(C)c2Br)cc1OC ZINC000574106043 567756208 /nfs/dbraw/zinc/75/62/08/567756208.db2.gz UWPWYISWRMTPPY-UHFFFAOYSA-N 0 1 381.270 3.220 20 0 GGADMN C[C@@H](C(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1cccc(Br)c1 ZINC000461937109 567756239 /nfs/dbraw/zinc/75/62/39/567756239.db2.gz OXXLNTOSANKNOZ-HUUCEWRRSA-N 0 1 395.341 3.264 20 0 GGADMN CCC[C@@H](CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OCC ZINC000624051246 567756579 /nfs/dbraw/zinc/75/65/79/567756579.db2.gz WXZZPZSJVMZDIT-MNOVXSKESA-N 0 1 383.341 3.497 20 0 GGADMN O=S(=O)(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000554918186 567756558 /nfs/dbraw/zinc/75/65/58/567756558.db2.gz BBPDFGUZMZBILH-YVEFUNNKSA-N 0 1 387.835 3.063 20 0 GGADMN CCCc1nc(=NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935923 567757405 /nfs/dbraw/zinc/75/74/05/567757405.db2.gz NCFOJSAMZRUEMD-UKRRQHHQSA-N 0 1 379.917 3.133 20 0 GGADMN CCCc1nc(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935923 567757414 /nfs/dbraw/zinc/75/74/14/567757414.db2.gz NCFOJSAMZRUEMD-UKRRQHHQSA-N 0 1 379.917 3.133 20 0 GGADMN CCCN(C(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)[C@H]1CCN(C)C1 ZINC000647045737 567757489 /nfs/dbraw/zinc/75/74/89/567757489.db2.gz ZUJWJRIIHHMZGF-STQMWFEESA-N 0 1 386.323 3.113 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCCC1CCOCC1 ZINC000574165320 567759481 /nfs/dbraw/zinc/75/94/81/567759481.db2.gz VGLPOYSNHYGVTE-KRWDZBQOSA-N 0 1 382.298 3.467 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc3ccsc32)ccc1OC ZINC000443468340 567759582 /nfs/dbraw/zinc/75/95/82/567759582.db2.gz VNCJIYOCVKBJLN-UHFFFAOYSA-N 0 1 377.443 3.497 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000533203020 567759528 /nfs/dbraw/zinc/75/95/28/567759528.db2.gz FHPGEHRKFITNHH-LLVKDONJSA-N 0 1 387.249 3.104 20 0 GGADMN CSC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC[NH+](C)CC1 ZINC000554970776 567760006 /nfs/dbraw/zinc/76/00/06/567760006.db2.gz QETNXIMIKNUISD-UHFFFAOYSA-N 0 1 389.395 3.161 20 0 GGADMN O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000533229563 567760593 /nfs/dbraw/zinc/76/05/93/567760593.db2.gz BSRGUPYFPXAEPZ-SECBINFHSA-N 0 1 399.763 3.023 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C(C)C ZINC000647123337 567760742 /nfs/dbraw/zinc/76/07/42/567760742.db2.gz OZRVTDYVFQQIJI-AWEZNQCLSA-N 0 1 382.404 3.077 20 0 GGADMN COc1ncccc1CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000554982748 567761090 /nfs/dbraw/zinc/76/10/90/567761090.db2.gz ZCHFTDNGCFTROT-UHFFFAOYSA-N 0 1 378.263 3.310 20 0 GGADMN O=S1(=O)NC(CN2CCC[C@H]2c2cccc(Cl)c2)=Nc2ccccc21 ZINC000533241028 567761114 /nfs/dbraw/zinc/76/11/14/567761114.db2.gz GWRJXFBTMGVIFL-INIZCTEOSA-N 0 1 375.881 3.499 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F)C(C)C ZINC000647124737 567761293 /nfs/dbraw/zinc/76/12/93/567761293.db2.gz XNTSGFFSYAFZHI-LBPRGKRZSA-N 0 1 389.367 3.302 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)CC2)CCO1 ZINC000462046146 567762000 /nfs/dbraw/zinc/76/20/00/567762000.db2.gz HVFGUNFTPNKGCG-SWLSCSKDSA-N 0 1 383.945 3.284 20 0 GGADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)c(Br)c1 ZINC000508685674 567762066 /nfs/dbraw/zinc/76/20/66/567762066.db2.gz HRUQSSZTZOCQFO-UHFFFAOYSA-N 0 1 391.313 3.217 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000462045138 567762632 /nfs/dbraw/zinc/76/26/32/567762632.db2.gz NDXQLWKEEPUYQY-UHFFFAOYSA-N 0 1 377.941 3.421 20 0 GGADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000574195870 567762724 /nfs/dbraw/zinc/76/27/24/567762724.db2.gz APHFMFCLQAXFLN-DZGCQCFKSA-N 0 1 397.953 3.178 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cccc(Br)c2OC(F)F)[C@H]1OC ZINC000508714592 567762917 /nfs/dbraw/zinc/76/29/17/567762917.db2.gz HMESLRVGHWFKHM-YRGRVCCFSA-N 0 1 380.229 3.333 20 0 GGADMN Cc1cc(Br)cn2c(CNCC(=O)Nc3cccc(F)c3)cnc12 ZINC000574193018 567763130 /nfs/dbraw/zinc/76/31/30/567763130.db2.gz MHPRHZDYOOSTSI-UHFFFAOYSA-N 0 1 391.244 3.273 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000624137626 567763300 /nfs/dbraw/zinc/76/33/00/567763300.db2.gz QBNHNFBTCNCACY-ZLKJLUDKSA-N 0 1 396.887 3.452 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000533312542 567763314 /nfs/dbraw/zinc/76/33/14/567763314.db2.gz AKFHHJKEUUVUTH-CYBMUJFWSA-N 0 1 379.555 3.178 20 0 GGADMN Fc1ccc(-n2cc(Br)c(-c3nc([C@H]4CCCN4)no3)n2)cc1 ZINC000647149901 567764218 /nfs/dbraw/zinc/76/42/18/567764218.db2.gz UZWCEBWPTPKUQU-GFCCVEGCSA-N 0 1 378.205 3.248 20 0 GGADMN Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)CC1 ZINC000508720581 567764279 /nfs/dbraw/zinc/76/42/79/567764279.db2.gz YGHCWZWKNISAKI-UHFFFAOYSA-N 0 1 377.945 3.435 20 0 GGADMN Cc1ccc(-n2cnnc2SCc2nc([C@@H]3CCCN3)no2)cc1Cl ZINC000647148167 567764639 /nfs/dbraw/zinc/76/46/39/567764639.db2.gz ILEKLCARMZRADQ-ZDUSSCGKSA-N 0 1 376.873 3.329 20 0 GGADMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccccc1Sc1ncccn1 ZINC000647137958 567764887 /nfs/dbraw/zinc/76/48/87/567764887.db2.gz QEULNLLJDWJKMT-CQSZACIVSA-N 0 1 381.523 3.431 20 0 GGADMN CN1C(=O)C[C@H](c2nc([C@H]3CCCN3)no2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647146083 567764921 /nfs/dbraw/zinc/76/49/21/567764921.db2.gz MMAWZXTYFDFWDH-PSOPSSQASA-N 0 1 381.263 3.488 20 0 GGADMN CC(=O)c1cc(Br)ccc1OCc1nc(C2(N)CCCC2)no1 ZINC000647138117 567765018 /nfs/dbraw/zinc/76/50/18/567765018.db2.gz DHUJLAQFXIZRAR-UHFFFAOYSA-N 0 1 380.242 3.342 20 0 GGADMN Fc1ccc(-n2cc(Br)c(-c3nc([C@@H]4CCCN4)no3)n2)cc1 ZINC000647149902 567765088 /nfs/dbraw/zinc/76/50/88/567765088.db2.gz UZWCEBWPTPKUQU-LBPRGKRZSA-N 0 1 378.205 3.248 20 0 GGADMN CCS(=O)(=O)c1ccc(CN=c2nc(-c3ccccc3C)[nH]s2)s1 ZINC000624170060 567765286 /nfs/dbraw/zinc/76/52/86/567765286.db2.gz HUQFEWMYODGGBJ-UHFFFAOYSA-N 0 1 379.532 3.403 20 0 GGADMN COC(=O)CCC1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000533344555 567765956 /nfs/dbraw/zinc/76/59/56/567765956.db2.gz OFKGRTYSMQYAKT-ZDUSSCGKSA-N 0 1 397.313 3.441 20 0 GGADMN C[C@H](CC(=O)NCCN1CCSCC1)c1ccc(F)c(Br)c1 ZINC000462073961 567765955 /nfs/dbraw/zinc/76/59/55/567765955.db2.gz YTIOBMIXGNTEFF-GFCCVEGCSA-N 0 1 389.334 3.247 20 0 GGADMN Brc1ccc(C2(c3nc([C@H]4CCCN4)no3)CCOCC2)cc1 ZINC000647150688 567766150 /nfs/dbraw/zinc/76/61/50/567766150.db2.gz LNLPQMQPOHYXNR-CQSZACIVSA-N 0 1 378.270 3.353 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647151038 567766538 /nfs/dbraw/zinc/76/65/38/567766538.db2.gz VFGCCILQRGLGQF-UONOGXRCSA-N 0 1 391.269 3.234 20 0 GGADMN CC(C)(C)NC(=O)CCNCc1cc(OC(F)F)ccc1Br ZINC000647180725 567767236 /nfs/dbraw/zinc/76/72/36/567767236.db2.gz QXYZOXCZUFRCFB-UHFFFAOYSA-N 0 1 379.245 3.445 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccsc1 ZINC000462077363 567767349 /nfs/dbraw/zinc/76/73/49/567767349.db2.gz UHFVQRVANYPQHM-SNVBAGLBSA-N 0 1 385.410 3.021 20 0 GGADMN CC(C)COC[C@H](O)CNCc1cc(OC(F)F)ccc1Br ZINC000647174540 567767578 /nfs/dbraw/zinc/76/75/78/567767578.db2.gz DVWYNZCKXDWHOX-GFCCVEGCSA-N 0 1 382.245 3.174 20 0 GGADMN COCCN(Cc1cn2ccc(Br)cc2n1)[C@H]1CCCSC1 ZINC000555104127 567767811 /nfs/dbraw/zinc/76/78/11/567767811.db2.gz DAJDJAILJKOFRC-HNNXBMFYSA-N 0 1 384.343 3.441 20 0 GGADMN C[C@]1(C2CCN([C@@H]3CCc4c3cc(Cl)cc4Cl)CC2)NC(=O)NC1=O ZINC000443613747 567767840 /nfs/dbraw/zinc/76/78/40/567767840.db2.gz DOZDDNLSGGNPDV-CRAIPNDOSA-N 0 1 382.291 3.291 20 0 GGADMN Clc1ccc(OCCN2CCC[C@H](Cn3ccnn3)C2)c(Br)c1 ZINC000443598178 567768130 /nfs/dbraw/zinc/76/81/30/567768130.db2.gz HIRLCFYRZMHUAV-ZDUSSCGKSA-N 0 1 399.720 3.485 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC000533415864 567768461 /nfs/dbraw/zinc/76/84/61/567768461.db2.gz AMYBDKHFXICFQH-UHFFFAOYSA-N 0 1 398.345 3.132 20 0 GGADMN COc1ccccc1[C@@H](N)CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000647187898 567769387 /nfs/dbraw/zinc/76/93/87/567769387.db2.gz ZVQHHERMNWIMPW-HNNXBMFYSA-N 0 1 389.304 3.121 20 0 GGADMN COc1ccccc1[C@H](N)CNS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000647187584 567769443 /nfs/dbraw/zinc/76/94/43/567769443.db2.gz QZJLBLPNVRLUPQ-MRXNPFEDSA-N 0 1 382.913 3.450 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C(F)(F)F)s2)o1 ZINC000462090137 567769725 /nfs/dbraw/zinc/76/97/25/567769725.db2.gz UNGKZTGELMGVIQ-UHFFFAOYSA-N 0 1 396.456 3.421 20 0 GGADMN CCC(=O)N1CC[C@@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000647192554 567770277 /nfs/dbraw/zinc/77/02/77/567770277.db2.gz LDAXHXMEWPDBCP-LLVKDONJSA-N 0 1 377.229 3.151 20 0 GGADMN O=c1[nH]c2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000555129298 567770334 /nfs/dbraw/zinc/77/03/34/567770334.db2.gz IYZITUMDCTUJKG-UHFFFAOYSA-N 0 1 375.303 3.227 20 0 GGADMN CSCC[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(=O)N(C)C ZINC000574310417 567770799 /nfs/dbraw/zinc/77/07/99/567770799.db2.gz QEAMNIPHWYCHGP-ZDUSSCGKSA-N 0 1 382.423 3.066 20 0 GGADMN C[C@H](Oc1ccccc1NS(=O)(=O)CCOCC(F)(F)F)C(F)(F)F ZINC000555128838 567771017 /nfs/dbraw/zinc/77/10/17/567771017.db2.gz GPVCXZYTRQPBNW-VIFPVBQESA-N 0 1 395.321 3.337 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC000508891486 567771110 /nfs/dbraw/zinc/77/11/10/567771110.db2.gz URSABLFZERXAHO-UHFFFAOYSA-N 0 1 380.941 3.276 20 0 GGADMN CC(C)c1[nH]nc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1Br ZINC000443680135 567771423 /nfs/dbraw/zinc/77/14/23/567771423.db2.gz JQQYLBBOBMQCNM-UHFFFAOYSA-N 0 1 375.230 3.333 20 0 GGADMN CN(Cc1ccc2c(c1)oc(=O)n2C)[C@@H](CO)c1cccc(Br)c1 ZINC000508892051 567771785 /nfs/dbraw/zinc/77/17/85/567771785.db2.gz WDZBGYBQYMHNCE-INIZCTEOSA-N 0 1 391.265 3.059 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000533506164 567771772 /nfs/dbraw/zinc/77/17/72/567771772.db2.gz JGAOWVWDMNZAIZ-UHFFFAOYSA-N 0 1 391.313 3.407 20 0 GGADMN COc1ccc(CN[C@H]2COc3cc(F)ccc3C2)c(Br)c1O ZINC000574339600 567773485 /nfs/dbraw/zinc/77/34/85/567773485.db2.gz KGGJRENHMXUHNF-CYBMUJFWSA-N 0 1 382.229 3.396 20 0 GGADMN COc1ccc(CN[C@@H]2COc3cc(F)ccc3C2)c(Br)c1O ZINC000574339602 567773527 /nfs/dbraw/zinc/77/35/27/567773527.db2.gz KGGJRENHMXUHNF-ZDUSSCGKSA-N 0 1 382.229 3.396 20 0 GGADMN O=S(=O)(CC12CCC(CC1)C2)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000462108505 567773637 /nfs/dbraw/zinc/77/36/37/567773637.db2.gz LTBIIPNAZVIOSE-TVRKMHQQSA-N 0 1 382.595 3.460 20 0 GGADMN CC[C@H](NCc1cc(Cl)c2c(c1)OCCO2)C(=O)NCc1cccs1 ZINC000647242529 567773979 /nfs/dbraw/zinc/77/39/79/567773979.db2.gz YJEZLTJTJHMUCB-HNNXBMFYSA-N 0 1 380.897 3.357 20 0 GGADMN O=S(=O)(c1cc(Br)sc1Cl)N1CCCc2[nH]ncc21 ZINC000574366184 567774224 /nfs/dbraw/zinc/77/42/24/567774224.db2.gz CHOSBXZEPBSQHS-UHFFFAOYSA-N 0 1 382.692 3.029 20 0 GGADMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Br)c1O ZINC000555206084 567774279 /nfs/dbraw/zinc/77/42/79/567774279.db2.gz VTDTXCKICJKQRO-OLZOCXBDSA-N 0 1 388.265 3.349 20 0 GGADMN C[C@@H](NCc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCCOC1 ZINC000574366049 567774408 /nfs/dbraw/zinc/77/44/08/567774408.db2.gz LZQWZHOSWJWTOB-OCCSQVGLSA-N 0 1 380.286 3.328 20 0 GGADMN C[C@H](NCc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCOC1 ZINC000574366045 567774751 /nfs/dbraw/zinc/77/47/51/567774751.db2.gz LZQWZHOSWJWTOB-GXTWGEPZSA-N 0 1 380.286 3.328 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443766428 567774864 /nfs/dbraw/zinc/77/48/64/567774864.db2.gz UUWLATCCVRNKFN-TVQRCGJNSA-N 0 1 382.835 3.120 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443766426 567774950 /nfs/dbraw/zinc/77/49/50/567774950.db2.gz UUWLATCCVRNKFN-NOZJJQNGSA-N 0 1 382.835 3.120 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1ccc(C(F)(F)F)cc1Cl ZINC000443761228 567775092 /nfs/dbraw/zinc/77/50/92/567775092.db2.gz STKLFFYTZUTTLD-NSHDSACASA-N 0 1 379.791 3.438 20 0 GGADMN CC1(C)SC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000555232688 567775314 /nfs/dbraw/zinc/77/53/14/567775314.db2.gz KUIZOTSDBFTYJD-DGCLKSJQSA-N 0 1 376.341 3.151 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1CCC1 ZINC000533566313 567775548 /nfs/dbraw/zinc/77/55/48/567775548.db2.gz WULXKIHQJVFUGB-UHFFFAOYSA-N 0 1 381.307 3.160 20 0 GGADMN CCc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n(C)n1 ZINC000647266775 567775546 /nfs/dbraw/zinc/77/55/46/567775546.db2.gz QKSITHNSTONFJD-UHFFFAOYSA-N 0 1 383.779 3.335 20 0 GGADMN O=[S@@](CCN1CCC[C@@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000533557774 567775735 /nfs/dbraw/zinc/77/57/35/567775735.db2.gz NOIBJIZFNHKAAH-OZAJXLCCSA-N 0 1 387.336 3.105 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1CCC1 ZINC000533566756 567775889 /nfs/dbraw/zinc/77/58/89/567775889.db2.gz MPHBLPXLNXRQLE-UHFFFAOYSA-N 0 1 381.307 3.160 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790789 567776003 /nfs/dbraw/zinc/77/60/03/567776003.db2.gz PLISJRDCRSYZAU-NXEZZACHSA-N 0 1 393.734 3.006 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000533569615 567776379 /nfs/dbraw/zinc/77/63/79/567776379.db2.gz BZOKZZBUGXWKDZ-ZDUSSCGKSA-N 0 1 377.897 3.476 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000533622771 567777593 /nfs/dbraw/zinc/77/75/93/567777593.db2.gz OHMUNWMVGHJLOZ-UHFFFAOYSA-N 0 1 380.626 3.020 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1ccc(Br)c2ncccc12 ZINC000667864884 567777551 /nfs/dbraw/zinc/77/75/51/567777551.db2.gz LLPUKDFDVFKVDT-UHFFFAOYSA-N 0 1 375.270 3.381 20 0 GGADMN C[C@H](CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)S(C)(=O)=O ZINC000533588762 567777905 /nfs/dbraw/zinc/77/79/05/567777905.db2.gz ACHSYYLXIITZFP-SKDRFNHKSA-N 0 1 393.349 3.081 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000533631668 567778631 /nfs/dbraw/zinc/77/86/31/567778631.db2.gz TXDDNDLSPXREFT-NSHDSACASA-N 0 1 397.292 3.483 20 0 GGADMN CCOC(=O)C1CCC(O)(CN[C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000574453110 567778992 /nfs/dbraw/zinc/77/89/92/567778992.db2.gz IJNBFODFFLHTOE-KVIBHRHWSA-N 0 1 390.307 3.101 20 0 GGADMN O=S(=O)(CCOCC1CC1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000574447871 567779287 /nfs/dbraw/zinc/77/92/87/567779287.db2.gz PERIODCZLSWEMN-MRXNPFEDSA-N 0 1 383.901 3.110 20 0 GGADMN Cc1nc(S(=O)(=O)NCCSc2ccccc2)sc1Br ZINC000443891172 567779415 /nfs/dbraw/zinc/77/94/15/567779415.db2.gz ZFSROGBLVROCPS-UHFFFAOYSA-N 0 1 393.353 3.285 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1 ZINC000624430479 567779530 /nfs/dbraw/zinc/77/95/30/567779530.db2.gz RTCCODLTPVUJIA-OAHLLOKOSA-N 0 1 379.869 3.084 20 0 GGADMN CCCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc1Cl ZINC000624429591 567779547 /nfs/dbraw/zinc/77/95/47/567779547.db2.gz KLYLNCMQOOJZLH-UHFFFAOYSA-N 0 1 383.857 3.148 20 0 GGADMN CC[C@H](C)C[C@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647336789 567779561 /nfs/dbraw/zinc/77/95/61/567779561.db2.gz GMYOONKSNBFYQE-NJZAAPMLSA-N 0 1 390.343 3.054 20 0 GGADMN O=S(=O)([N-]CCC[C@H]1CCC[NH2+]1)c1cc(Cl)c(Br)cc1F ZINC000647321021 567779658 /nfs/dbraw/zinc/77/96/58/567779658.db2.gz RIKYWDWHXLAANK-SECBINFHSA-N 0 1 399.713 3.052 20 0 GGADMN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000647338058 567780010 /nfs/dbraw/zinc/78/00/10/567780010.db2.gz ZYNSLMCECXGATP-DCAQKATOSA-N 0 1 383.341 3.089 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000533646422 567780008 /nfs/dbraw/zinc/78/00/08/567780008.db2.gz ZCWPPSTXSBMCIV-GFCCVEGCSA-N 0 1 383.279 3.344 20 0 GGADMN CC[C@H](N[C@@H](C)c1sc(CCOC)nc1C)C(=O)NCc1cccs1 ZINC000647333826 567780204 /nfs/dbraw/zinc/78/02/04/567780204.db2.gz AGTRMANPKVWSBL-WFASDCNBSA-N 0 1 381.567 3.448 20 0 GGADMN CC[C@@H](N[C@H](C)c1sc(CCOC)nc1C)C(=O)NCc1cccs1 ZINC000647333824 567780339 /nfs/dbraw/zinc/78/03/39/567780339.db2.gz AGTRMANPKVWSBL-IUODEOHRSA-N 0 1 381.567 3.448 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2ccccc2Cl)sc1Br ZINC000443907696 567780595 /nfs/dbraw/zinc/78/05/95/567780595.db2.gz SMCMQZXDEVHUJM-UHFFFAOYSA-N 0 1 381.704 3.346 20 0 GGADMN CC(=O)NCCN(Cc1c(C2CC2)nc2sccn12)C1CCSCC1 ZINC000555367705 567780732 /nfs/dbraw/zinc/78/07/32/567780732.db2.gz GKOXWBGTXYBTRK-UHFFFAOYSA-N 0 1 378.567 3.107 20 0 GGADMN C[C@@H]1SCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647360426 567780821 /nfs/dbraw/zinc/78/08/21/567780821.db2.gz VELIRVTYFWAKPT-ZWKOPEQDSA-N 0 1 376.341 3.151 20 0 GGADMN C[C@@H]1SCC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647360425 567780830 /nfs/dbraw/zinc/78/08/30/567780830.db2.gz VELIRVTYFWAKPT-XDTLVQLUSA-N 0 1 376.341 3.151 20 0 GGADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(F)(F)F ZINC000443945075 567781380 /nfs/dbraw/zinc/78/13/80/567781380.db2.gz OTCQDYWQVKLIKE-QPUJVOFHSA-N 0 1 387.807 3.382 20 0 GGADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(F)(F)F ZINC000443944934 567781603 /nfs/dbraw/zinc/78/16/03/567781603.db2.gz QGAAUTBYEYWQHF-OIBJUYFYSA-N 0 1 375.210 3.099 20 0 GGADMN COc1cc(CN[C@H](C)CC(=O)N2CCCCCC2)c(Br)cc1O ZINC000647362228 567781731 /nfs/dbraw/zinc/78/17/31/567781731.db2.gz YFTJTBHAKYMMAZ-CYBMUJFWSA-N 0 1 399.329 3.434 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000647368072 567782189 /nfs/dbraw/zinc/78/21/89/567782189.db2.gz RVJNAIYJEAFTQG-WBMJQRKESA-N 0 1 390.281 3.449 20 0 GGADMN NC(=O)c1cnccc1N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000624474416 567783156 /nfs/dbraw/zinc/78/31/56/567783156.db2.gz GJKZBYZFXBOBHO-CYBMUJFWSA-N 0 1 378.295 3.314 20 0 GGADMN CC1(C)CCCN(CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000443980704 567783300 /nfs/dbraw/zinc/78/33/00/567783300.db2.gz RWMLQNGXNXARET-UHFFFAOYSA-N 0 1 378.460 3.247 20 0 GGADMN CCc1sc(C(=O)N=c2ncn(Cc3ccccc3)[nH]2)cc1Br ZINC000555431322 567783869 /nfs/dbraw/zinc/78/38/69/567783869.db2.gz ZVKKMJRDRDHBRL-UHFFFAOYSA-N 0 1 391.294 3.387 20 0 GGADMN C[C@H]1CC[N@H+](CCNCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667934636 567784559 /nfs/dbraw/zinc/78/45/59/567784559.db2.gz RDCQYVJYTRVEJV-JTQLQIEISA-N 0 1 392.135 3.349 20 0 GGADMN C[C@H]1CC[N@@H+](CCNCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667934636 567784561 /nfs/dbraw/zinc/78/45/61/567784561.db2.gz RDCQYVJYTRVEJV-JTQLQIEISA-N 0 1 392.135 3.349 20 0 GGADMN Cc1ccc(CNCc2cn(C)nc2-c2cccs2)cc1S(C)(=O)=O ZINC000443987730 567784576 /nfs/dbraw/zinc/78/45/76/567784576.db2.gz KEUWUEHCHAUENO-UHFFFAOYSA-N 0 1 375.519 3.150 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(Br)c2F)C1 ZINC000667925148 567784927 /nfs/dbraw/zinc/78/49/27/567784927.db2.gz MMXIZPFIQYRMLA-LBPRGKRZSA-N 0 1 388.281 3.067 20 0 GGADMN CCOC1CC(O)(CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000444007396 567785812 /nfs/dbraw/zinc/78/58/12/567785812.db2.gz GDCKYAJOTCIYFS-UHFFFAOYSA-N 0 1 382.913 3.395 20 0 GGADMN O=C(CNC1(c2ccc(Cl)c(Cl)c2)CC1)NC(=O)NCc1ccco1 ZINC000574593287 567787071 /nfs/dbraw/zinc/78/70/71/567787071.db2.gz PTEPQIPUMIAGKN-UHFFFAOYSA-N 0 1 382.247 3.191 20 0 GGADMN CCOc1cc(CN[C@@H](CO)CC(F)(F)F)cc(Br)c1OC ZINC000533803252 567787474 /nfs/dbraw/zinc/78/74/74/567787474.db2.gz RLOZXIDEPWVQIG-SNVBAGLBSA-N 0 1 386.208 3.259 20 0 GGADMN CCc1nocc1CNCCC(=O)N(C)Cc1ccccc1Br ZINC000555548593 567787947 /nfs/dbraw/zinc/78/79/47/567787947.db2.gz AYFYLXVLMGLTPR-UHFFFAOYSA-N 0 1 380.286 3.138 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000444069501 567788598 /nfs/dbraw/zinc/78/85/98/567788598.db2.gz HXSARFNERYPPGC-RDJZCZTQSA-N 0 1 376.547 3.350 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)N2CCc3c(Br)cccc3C2)n[nH]1 ZINC000574656321 567790601 /nfs/dbraw/zinc/79/06/01/567790601.db2.gz HYMQBHHYABMXSD-UHFFFAOYSA-N 0 1 392.301 3.133 20 0 GGADMN COC(=O)c1csc([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000574659361 567790751 /nfs/dbraw/zinc/79/07/51/567790751.db2.gz JPTMDERXWZRGGR-ZIAGYGMSSA-N 0 1 381.519 3.356 20 0 GGADMN COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000574677591 567791190 /nfs/dbraw/zinc/79/11/90/567791190.db2.gz ITDYIJQWVWLQEP-UHFFFAOYSA-N 0 1 390.285 3.176 20 0 GGADMN COc1cc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)c(Cl)cc1Br ZINC000668036463 567791160 /nfs/dbraw/zinc/79/11/60/567791160.db2.gz RPIHHSOHZIKWHT-LURJTMIESA-N 0 1 388.653 3.420 20 0 GGADMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1c(Br)cncc1Br ZINC000574682414 567791553 /nfs/dbraw/zinc/79/15/53/567791553.db2.gz ODGHVLUDMBPESD-XPTSAGLGSA-N 0 1 389.135 3.179 20 0 GGADMN COc1nc(NC[C@@H](c2ccc(C)o2)N2CCCC2)ncc1Br ZINC000444091179 567792187 /nfs/dbraw/zinc/79/21/87/567792187.db2.gz VQOWAFDIIBKHAY-ZDUSSCGKSA-N 0 1 381.274 3.398 20 0 GGADMN CN(Cc1ccc(Br)c(Br)c1)C[C@H]1COCCO1 ZINC000668545308 567813077 /nfs/dbraw/zinc/81/30/77/567813077.db2.gz PZRQXVIMCCOVFA-NSHDSACASA-N 0 1 379.092 3.059 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000668042300 567793045 /nfs/dbraw/zinc/79/30/45/567793045.db2.gz PINCWOTUTHNYJE-CYBMUJFWSA-N 0 1 377.286 3.125 20 0 GGADMN CSc1cc(Br)ccc1CN1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000574724998 567793292 /nfs/dbraw/zinc/79/32/92/567793292.db2.gz BIWXXIAOEHTZBQ-XJKSGUPXSA-N 0 1 385.371 3.466 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)CCOc1ccccc1Br ZINC000647633944 567794734 /nfs/dbraw/zinc/79/47/34/567794734.db2.gz IJQRIKZIFINGFY-HNNXBMFYSA-N 0 1 393.281 3.043 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC(CCO)CC1 ZINC000533970042 567794819 /nfs/dbraw/zinc/79/48/19/567794819.db2.gz BRKYNAUUOCXJMP-UHFFFAOYSA-N 0 1 378.270 3.074 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)CCOc1cccc(Br)c1 ZINC000647633121 567795054 /nfs/dbraw/zinc/79/50/54/567795054.db2.gz WEKDYQBWLWAIOX-MRXNPFEDSA-N 0 1 393.281 3.043 20 0 GGADMN Cc1cccc(C)c1CS(=O)(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000574758650 567795443 /nfs/dbraw/zinc/79/54/43/567795443.db2.gz VJGRELYKHQPFMK-UHFFFAOYSA-N 0 1 381.519 3.427 20 0 GGADMN CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccsc2)c1 ZINC000555706844 567795436 /nfs/dbraw/zinc/79/54/36/567795436.db2.gz WLJSWKIKYQOCEY-UHFFFAOYSA-N 0 1 390.280 3.488 20 0 GGADMN CC(C)[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)[C@H](O)C(F)(F)F ZINC000647674919 567795797 /nfs/dbraw/zinc/79/57/97/567795797.db2.gz HDJKWDDFMWBIBW-JQWIXIFHSA-N 0 1 381.807 3.469 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000444195831 567795957 /nfs/dbraw/zinc/79/59/57/567795957.db2.gz LEGSZPPQUOXKSM-WBVHZDCISA-N 0 1 376.547 3.207 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000444195830 567796510 /nfs/dbraw/zinc/79/65/10/567796510.db2.gz LEGSZPPQUOXKSM-RDJZCZTQSA-N 0 1 376.547 3.207 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccsc1 ZINC000444196853 567796686 /nfs/dbraw/zinc/79/66/86/567796686.db2.gz NFLAPRGDFYJNNC-GFCCVEGCSA-N 0 1 397.371 3.099 20 0 GGADMN CCC[C@@H](OCC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000624720812 567797319 /nfs/dbraw/zinc/79/73/19/567797319.db2.gz DIJDCSUUAROOKQ-QGZVFWFLSA-N 0 1 398.345 3.345 20 0 GGADMN OC[C@@]1([C@@H](NCc2nc3ccc(Br)cc3o2)C2CC2)CCCO1 ZINC000555759898 567797386 /nfs/dbraw/zinc/79/73/86/567797386.db2.gz WJYVCMFYURSSFK-DLBZAZTESA-N 0 1 381.270 3.000 20 0 GGADMN OC[C@]1([C@H](NCc2nc3ccc(Br)cc3o2)C2CC2)CCCO1 ZINC000555759901 567797399 /nfs/dbraw/zinc/79/73/99/567797399.db2.gz WJYVCMFYURSSFK-SJORKVTESA-N 0 1 381.270 3.000 20 0 GGADMN CS(=O)(=O)Cc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1F ZINC000444230481 567798271 /nfs/dbraw/zinc/79/82/71/567798271.db2.gz YVJHFOBWEPVJQU-UHFFFAOYSA-N 0 1 379.438 3.074 20 0 GGADMN C[N@H+](Cc1cc(Br)c([O-])c(Br)c1)C[C@H](O)C1CC1 ZINC000668167175 567799186 /nfs/dbraw/zinc/79/91/86/567799186.db2.gz VUPXAHGMYQOMNI-LBPRGKRZSA-N 0 1 379.092 3.120 20 0 GGADMN O=C1N=NCN1C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000574831305 567799710 /nfs/dbraw/zinc/79/97/10/567799710.db2.gz GPGMWQCOVMCPHH-UHFFFAOYSA-N 0 1 388.269 3.132 20 0 GGADMN COCc1csc(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)c1 ZINC000668190082 567800000 /nfs/dbraw/zinc/80/00/00/567800000.db2.gz ZCEXKAYEJMNKBE-UHFFFAOYSA-N 0 1 379.551 3.364 20 0 GGADMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000444284060 567800543 /nfs/dbraw/zinc/80/05/43/567800543.db2.gz DUNZGVGLVGIHAJ-SNVBAGLBSA-N 0 1 378.263 3.478 20 0 GGADMN Cc1cccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1Br ZINC000647762482 567800703 /nfs/dbraw/zinc/80/07/03/567800703.db2.gz FUBWYAPSAISINB-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN Cn1cc(Br)cc1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000647772287 567800792 /nfs/dbraw/zinc/80/07/92/567800792.db2.gz OKFJYIPCODVHRX-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000647762830 567800821 /nfs/dbraw/zinc/80/08/21/567800821.db2.gz VYEOPWOAUJETLU-ZDUSSCGKSA-N 0 1 381.314 3.083 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000647765910 567800888 /nfs/dbraw/zinc/80/08/88/567800888.db2.gz ZHIBYJIAJIDQDI-LBPRGKRZSA-N 0 1 387.307 3.327 20 0 GGADMN C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCS1 ZINC000534134607 567801083 /nfs/dbraw/zinc/80/10/83/567801083.db2.gz RCPSLRXTRNWEAO-QAPCUYQASA-N 0 1 381.973 3.030 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3ccc(F)cc3I)C2)cn1 ZINC000574861530 567801298 /nfs/dbraw/zinc/80/12/98/567801298.db2.gz DTVNKFDFDOSUKZ-GFCCVEGCSA-N 0 1 399.251 3.228 20 0 GGADMN C[C@H]1CSCCN1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000534139957 567801354 /nfs/dbraw/zinc/80/13/54/567801354.db2.gz SMSATMOZFNKXPO-YJBOKZPZSA-N 0 1 381.973 3.030 20 0 GGADMN C[C@@H](C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1CC1)C(=O)[O-] ZINC000574884359 567801867 /nfs/dbraw/zinc/80/18/67/567801867.db2.gz PQGBHEGMHPKMFS-NSHDSACASA-N 0 1 394.269 3.108 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1CC1)C(=O)[O-] ZINC000574884359 567801870 /nfs/dbraw/zinc/80/18/70/567801870.db2.gz PQGBHEGMHPKMFS-NSHDSACASA-N 0 1 394.269 3.108 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000574884013 567802322 /nfs/dbraw/zinc/80/23/22/567802322.db2.gz KZCNSRKZRMRZNP-QGZVFWFLSA-N 0 1 394.269 3.110 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000574884013 567802325 /nfs/dbraw/zinc/80/23/25/567802325.db2.gz KZCNSRKZRMRZNP-QGZVFWFLSA-N 0 1 394.269 3.110 20 0 GGADMN COc1cccc(N2C[C@@H](N[C@@H](C)c3ccc(Br)cn3)CC2=O)c1 ZINC000574885926 567802348 /nfs/dbraw/zinc/80/23/48/567802348.db2.gz ALSQHMNRRYZFBL-JSGCOSHPSA-N 0 1 390.281 3.309 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891198 567802760 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CCc1nc([C@H](C)NC(=O)NCC(C)(C)c2cccc(Br)c2)n[nH]1 ZINC000534224866 567804248 /nfs/dbraw/zinc/80/42/48/567804248.db2.gz UZEQJGSTTOPBTL-NSHDSACASA-N 0 1 394.317 3.468 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000534222235 567804258 /nfs/dbraw/zinc/80/42/58/567804258.db2.gz SFWJCZVZQBYTII-NSHDSACASA-N 0 1 392.301 3.222 20 0 GGADMN Brc1cnc(N2CC[C@H](CN3CCOCC3)C2)c2sccc21 ZINC000647869302 567804373 /nfs/dbraw/zinc/80/43/73/567804373.db2.gz FSKOKUXNPAVJPH-GFCCVEGCSA-N 0 1 382.327 3.217 20 0 GGADMN Cc1c(Br)cncc1CN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000668276270 567805121 /nfs/dbraw/zinc/80/51/21/567805121.db2.gz JDXVGQFAQADKKM-MRXNPFEDSA-N 0 1 388.309 3.291 20 0 GGADMN N[C@@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000647913744 567806662 /nfs/dbraw/zinc/80/66/62/567806662.db2.gz UZQGSEDMXXXMCR-MRXNPFEDSA-N 0 1 381.259 3.471 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000534301469 567806878 /nfs/dbraw/zinc/80/68/78/567806878.db2.gz 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567807358 /nfs/dbraw/zinc/80/73/58/567807358.db2.gz BBKDNQXWEUPENN-CYBMUJFWSA-N 0 1 385.335 3.329 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444544508 567807500 /nfs/dbraw/zinc/80/75/00/567807500.db2.gz HSNWEEFADKIGSO-OLZOCXBDSA-N 0 1 389.323 3.064 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CC(F)(F)F)CC1 ZINC000534309604 567807527 /nfs/dbraw/zinc/80/75/27/567807527.db2.gz AOPFMVJOWACVJQ-UHFFFAOYSA-N 0 1 380.208 3.092 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000534335370 567807789 /nfs/dbraw/zinc/80/77/89/567807789.db2.gz FTBDDSOHDZGQEV-UHFFFAOYSA-N 0 1 393.256 3.252 20 0 GGADMN CC(C)(C)CN(CCO)CC(=O)Nc1ccc(Br)cc1Cl ZINC000599162684 567808129 /nfs/dbraw/zinc/80/81/29/567808129.db2.gz UFICUAHPTZIXHE-UHFFFAOYSA-N 0 1 377.710 3.381 20 0 GGADMN Cc1cc(NC(=O)CN2CC[C@@H](C3CCOCC3)C2)ccc1Br ZINC000534379527 567809325 /nfs/dbraw/zinc/80/93/25/567809325.db2.gz RWFDCXZQSYRJHW-OAHLLOKOSA-N 0 1 381.314 3.445 20 0 GGADMN COc1cc(CN(C)Cc2cnc[nH]2)cc(Br)c1OC(F)F 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SGWFEWARPBYLNQ-DZGCQCFKSA-N 0 1 395.301 3.143 20 0 GGADMN C[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCC1)n1cc(Br)cn1 ZINC000648219747 567815633 /nfs/dbraw/zinc/81/56/33/567815633.db2.gz SGWFEWARPBYLNQ-HIFRSBDPSA-N 0 1 395.301 3.143 20 0 GGADMN COc1ccc2oc([C@H](C)NC(=O)c3nnc4ccccc4c3O)c(C)c2c1 ZINC000111614601 570218486 /nfs/dbraw/zinc/21/84/86/570218486.db2.gz VTUMJWRTGMVLFY-LBPRGKRZSA-N 0 1 377.400 3.477 20 0 GGADMN COc1ccc2c(c1)[nH]cc(C(=O)N1CCC([C@H](O)c3ccccc3)CC1)c2=O ZINC000048252759 570226817 /nfs/dbraw/zinc/22/68/17/570226817.db2.gz GKJGHPSTGKOLFH-OAQYLSRUSA-N 0 1 392.455 3.123 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccc(OCC)cc2)CC1 ZINC000048280086 570231349 /nfs/dbraw/zinc/23/13/49/570231349.db2.gz FPAFICPCVDRULZ-HXUWFJFHSA-N 0 1 388.508 3.024 20 0 GGADMN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012819459 570232360 /nfs/dbraw/zinc/23/23/60/570232360.db2.gz JMLHEPMWCYIMBC-SJLPKXTDSA-N 0 1 383.467 3.181 20 0 GGADMN 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COc1cc(-c2nn[nH]n2)ccc1OCCN1CCSC[C@H]1c1ccccc1 ZINC000737033119 598988199 /nfs/dbraw/zinc/98/81/99/598988199.db2.gz SISZPBYTXUXYRQ-KRWDZBQOSA-N 0 1 397.504 3.044 20 0 GGADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(Cl)c1O ZINC000737931527 599010435 /nfs/dbraw/zinc/01/04/35/599010435.db2.gz HRZMQAOWEHQBIV-UHFFFAOYSA-N 0 1 375.841 3.098 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CCC2CCCCC2)cc1-c1nn[nH]n1 ZINC000737186902 599109442 /nfs/dbraw/zinc/10/94/42/599109442.db2.gz LKQSBTKPJWDZFY-NSHDSACASA-N 0 1 390.513 3.168 20 0 GGADMN Cc1oc(NC(=O)CN2CC[C@H](c3ccccc3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737551475 599145747 /nfs/dbraw/zinc/14/57/47/599145747.db2.gz HOSNRVVGQUFLAA-GUYCJALGSA-N 0 1 394.479 3.141 20 0 GGADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000818385894 596901434 /nfs/dbraw/zinc/90/14/34/596901434.db2.gz XBCLUXITUJDXMH-CQSZACIVSA-N 0 1 382.489 3.331 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113979 596914587 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ZQQDKQAAXIZSGJ-OKEQZYBDSA-N 0 1 379.888 3.028 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1ccc(Cl)cc1 ZINC000820620983 598140587 /nfs/dbraw/zinc/14/05/87/598140587.db2.gz ZQQDKQAAXIZSGJ-OKEQZYBDSA-N 0 1 379.888 3.028 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000820620980 598140639 /nfs/dbraw/zinc/14/06/39/598140639.db2.gz ZQQDKQAAXIZSGJ-BNICSPFPSA-N 0 1 379.888 3.028 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000820620980 598140640 /nfs/dbraw/zinc/14/06/40/598140640.db2.gz ZQQDKQAAXIZSGJ-BNICSPFPSA-N 0 1 379.888 3.028 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635516196 598166951 /nfs/dbraw/zinc/16/69/51/598166951.db2.gz YTCRRUTVZFCHRE-GUYCJALGSA-N 0 1 385.867 3.026 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000663126591 598200822 /nfs/dbraw/zinc/20/08/22/598200822.db2.gz AXXVORRXSUNKFA-HKUYNNGSSA-N 0 1 381.476 3.435 20 0 GGADMN O=C([O-])c1cccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000821553048 598204536 /nfs/dbraw/zinc/20/45/36/598204536.db2.gz WJVWIJFWNLNYHG-UHFFFAOYSA-N 0 1 381.457 3.061 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129672 598212244 /nfs/dbraw/zinc/21/22/44/598212244.db2.gz OAGFDMUWQFMGJF-VQIMIIECSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129669 598212247 /nfs/dbraw/zinc/21/22/47/598212247.db2.gz OAGFDMUWQFMGJF-LPHOPBHVSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129665 598212332 /nfs/dbraw/zinc/21/23/32/598212332.db2.gz OAGFDMUWQFMGJF-APWZRJJASA-N 0 1 381.476 3.346 20 0 GGADMN CCc1[nH]ncc1C(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736668482 598231743 /nfs/dbraw/zinc/23/17/43/598231743.db2.gz YMSNGHUPPPEUFN-UHFFFAOYSA-N 0 1 375.392 3.197 20 0 GGADMN C[C@@H](CN(C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccccc1 ZINC000736000804 598462377 /nfs/dbraw/zinc/46/23/77/598462377.db2.gz LWIITUUFJRVNIE-ZDUSSCGKSA-N 0 1 384.871 3.194 20 0 GGADMN O=c1c(-c2nn[nH]n2)cn(Cc2coc(-c3ccc(F)cc3)n2)c2ccccc12 ZINC000738373012 598504899 /nfs/dbraw/zinc/50/48/99/598504899.db2.gz ZVWXOOJIGYYVMC-UHFFFAOYSA-N 0 1 388.362 3.024 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737149705 598525889 /nfs/dbraw/zinc/52/58/89/598525889.db2.gz ZAEZKHAXLHXIHS-HNNXBMFYSA-N 0 1 398.492 3.103 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737149705 598525890 /nfs/dbraw/zinc/52/58/90/598525890.db2.gz ZAEZKHAXLHXIHS-HNNXBMFYSA-N 0 1 398.492 3.103 20 0 GGADMN COc1ccc([C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[NH+]2CCCC2)cc1 ZINC000737075182 598571352 /nfs/dbraw/zinc/57/13/52/598571352.db2.gz LEOBWGHYKKDFQU-MRXNPFEDSA-N 0 1 399.886 3.173 20 0 GGADMN COc1ccc([C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[NH+]2CCCC2)cc1 ZINC000737075182 598571353 /nfs/dbraw/zinc/57/13/53/598571353.db2.gz LEOBWGHYKKDFQU-MRXNPFEDSA-N 0 1 399.886 3.173 20 0 GGADMN O=S(=O)(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cc(Cl)ccc1Cl ZINC000738341038 598596088 /nfs/dbraw/zinc/59/60/88/598596088.db2.gz CQPVULBZIUOWOW-UHFFFAOYSA-N 0 1 388.211 3.113 20 0 GGADMN CCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CCCCC1 ZINC000736431459 598605707 /nfs/dbraw/zinc/60/57/07/598605707.db2.gz GYXJELVAZOVQJX-AWEZNQCLSA-N 0 1 390.513 3.168 20 0 GGADMN Cc1ccc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c(C)c1 ZINC000737310127 598721216 /nfs/dbraw/zinc/72/12/16/598721216.db2.gz YRMBXLQSOQZGRZ-UHFFFAOYSA-N 0 1 393.834 3.335 20 0 GGADMN CCS[C@H]1CCCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736663044 598748590 /nfs/dbraw/zinc/74/85/90/598748590.db2.gz APWZOHVILITXIY-ZDUSSCGKSA-N 0 1 394.932 3.066 20 0 GGADMN Cc1csc([C@H]2CCCCN2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000737455550 598760883 /nfs/dbraw/zinc/76/08/83/598760883.db2.gz SGNIOECECLVILZ-MRXNPFEDSA-N 0 1 397.508 3.187 20 0 GGADMN CC(C)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000735678327 598762799 /nfs/dbraw/zinc/76/27/99/598762799.db2.gz NWWPOWQJRIDBKI-UHFFFAOYSA-N 0 1 388.834 3.123 20 0 GGADMN COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737109722 598798949 /nfs/dbraw/zinc/79/89/49/598798949.db2.gz SPMFXFBJXJDDOR-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431269 599366692 /nfs/dbraw/zinc/36/66/92/599366692.db2.gz CVWFDEZVWWGSPE-MRXNPFEDSA-N 0 1 390.491 3.344 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000735874508 599383781 /nfs/dbraw/zinc/38/37/81/599383781.db2.gz QBQMTVPSRZPNOW-UHFFFAOYSA-N 0 1 387.447 3.308 20 0 GGADMN C[C@@H](NCc1cc2c(cc1OC(F)F)OCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000820427243 599393079 /nfs/dbraw/zinc/39/30/79/599393079.db2.gz QOBFRZJCBXTAJS-SNVBAGLBSA-N 0 1 389.362 3.048 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CNCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822578570 599393890 /nfs/dbraw/zinc/39/38/90/599393890.db2.gz KUKKNJMCPIAIGI-SFHVURJKSA-N 0 1 399.882 3.368 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736227263 599411877 /nfs/dbraw/zinc/41/18/77/599411877.db2.gz KODHGIVRYWPKMO-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736227263 599411880 /nfs/dbraw/zinc/41/18/80/599411880.db2.gz KODHGIVRYWPKMO-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736227263 599411883 /nfs/dbraw/zinc/41/18/83/599411883.db2.gz KODHGIVRYWPKMO-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736227263 599411885 /nfs/dbraw/zinc/41/18/85/599411885.db2.gz KODHGIVRYWPKMO-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN CN(Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1OCC(F)(F)F ZINC000821613244 599559592 /nfs/dbraw/zinc/55/95/92/599559592.db2.gz DUKLFZWBMDONOI-UHFFFAOYSA-N 0 1 377.370 3.440 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c(C)c1 ZINC000737360969 599561036 /nfs/dbraw/zinc/56/10/36/599561036.db2.gz FIHWDBNVQLFZRP-UHFFFAOYSA-N 0 1 397.382 3.303 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821449733 599590662 /nfs/dbraw/zinc/59/06/62/599590662.db2.gz XDKQVNFHKRXRKH-HUUCEWRRSA-N 0 1 385.497 3.023 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737331117 599594566 /nfs/dbraw/zinc/59/45/66/599594566.db2.gz PINAUZBOOQDQHZ-SFHVURJKSA-N 0 1 394.479 3.002 20 0 GGADMN CC(C)C1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000820037824 599641321 /nfs/dbraw/zinc/64/13/21/599641321.db2.gz IRIXOSHJRHBIJS-LBPRGKRZSA-N 0 1 388.541 3.112 20 0 GGADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000820951268 599643411 /nfs/dbraw/zinc/64/34/11/599643411.db2.gz XHZPAVAQPNICDZ-BUXKBTBVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000820684415 599697827 /nfs/dbraw/zinc/69/78/27/599697827.db2.gz PHXZKMWYECMPSC-HUUCEWRRSA-N 0 1 392.463 3.470 20 0 GGADMN CCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649453767 599702565 /nfs/dbraw/zinc/70/25/65/599702565.db2.gz GKGZNSNZBJIHJD-IBGZPJMESA-N 0 1 381.476 3.297 20 0 GGADMN Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000584356235 599707693 /nfs/dbraw/zinc/70/76/93/599707693.db2.gz FGDZHSOZIIMHTP-BHIFYINESA-N 0 1 383.488 3.259 20 0 GGADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000566074732 599707727 /nfs/dbraw/zinc/70/77/27/599707727.db2.gz QUDLETWYZFDBBQ-RZUBCFFCSA-N 0 1 383.488 3.259 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000584356237 599707907 /nfs/dbraw/zinc/70/79/07/599707907.db2.gz FGDZHSOZIIMHTP-YPAWHYETSA-N 0 1 383.488 3.259 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)CC1 ZINC000737116169 599709063 /nfs/dbraw/zinc/70/90/63/599709063.db2.gz NZTFEBRATSBFIA-UHFFFAOYSA-N 0 1 382.464 3.166 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000739626035 599709289 /nfs/dbraw/zinc/70/92/89/599709289.db2.gz RKVVCLHNTAOSDJ-UGKGYDQZSA-N 0 1 392.499 3.294 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000737864194 599709379 /nfs/dbraw/zinc/70/93/79/599709379.db2.gz FUNUQDKNOFGICM-QUCCMNQESA-N 0 1 399.487 3.403 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000737864189 599709505 /nfs/dbraw/zinc/70/95/05/599709505.db2.gz FUNUQDKNOFGICM-ICSRJNTNSA-N 0 1 399.487 3.403 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000248612271 599712469 /nfs/dbraw/zinc/71/24/69/599712469.db2.gz XVZJFJSNFKSVAA-RCBQFDQVSA-N 0 1 380.872 3.395 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000248612270 599712482 /nfs/dbraw/zinc/71/24/82/599712482.db2.gz XVZJFJSNFKSVAA-MAZHCROVSA-N 0 1 380.872 3.395 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000248616159 599713387 /nfs/dbraw/zinc/71/33/87/599713387.db2.gz ZQFXGSRVRGOINT-LSTDLKDCSA-N 0 1 399.516 3.066 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000248616159 599713389 /nfs/dbraw/zinc/71/33/89/599713389.db2.gz ZQFXGSRVRGOINT-LSTDLKDCSA-N 0 1 399.516 3.066 20 0 GGADMN CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000736345138 599715277 /nfs/dbraw/zinc/71/52/77/599715277.db2.gz LNGSEHPSARSUHP-GFCCVEGCSA-N 0 1 378.469 3.475 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1F ZINC000740008886 599718513 /nfs/dbraw/zinc/71/85/13/599718513.db2.gz SEKXTNRCNUZMOE-UHFFFAOYSA-N 0 1 394.447 3.072 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000739275123 599718523 /nfs/dbraw/zinc/71/85/23/599718523.db2.gz XMYDLZAOOYHRQG-UHFFFAOYSA-N 0 1 376.453 3.479 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000736204269 599718900 /nfs/dbraw/zinc/71/89/00/599718900.db2.gz IMFMZCOYGWKWRN-KRWDZBQOSA-N 0 1 380.488 3.497 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000738894074 599740226 /nfs/dbraw/zinc/74/02/26/599740226.db2.gz HRWSJMCBDJHKIV-UHFFFAOYSA-N 0 1 384.461 3.361 20 0 GGADMN O=C([O-])Cc1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000739878619 599758203 /nfs/dbraw/zinc/75/82/03/599758203.db2.gz ITBJRBJRFMLHEJ-UHFFFAOYSA-N 0 1 395.503 3.486 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739559907 599761763 /nfs/dbraw/zinc/76/17/63/599761763.db2.gz ISJJXCLOPLZALT-UGFHNGPFSA-N 0 1 378.270 3.315 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000737069063 599762545 /nfs/dbraw/zinc/76/25/45/599762545.db2.gz OMLUVLNKDVLBSH-OAQYLSRUSA-N 0 1 391.471 3.444 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1)C(C)C ZINC000737102366 599763821 /nfs/dbraw/zinc/76/38/21/599763821.db2.gz XZKUAHMGUVDQQL-FQEVSTJZSA-N 0 1 384.476 3.481 20 0 GGADMN Cc1csc(=O)n1CC[N@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738814421 599770583 /nfs/dbraw/zinc/77/05/83/599770583.db2.gz QUOJIRIWHJGORC-CYBMUJFWSA-N 0 1 375.277 3.283 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000477837704 599779690 /nfs/dbraw/zinc/77/96/90/599779690.db2.gz LOKJDMZCHWPBQZ-IKGGRYGDSA-N 0 1 398.425 3.295 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC000563277136 599791191 /nfs/dbraw/zinc/79/11/91/599791191.db2.gz IFXWROLAJIHUGP-UHFFFAOYSA-N 0 1 378.900 3.408 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC000563277136 599791192 /nfs/dbraw/zinc/79/11/92/599791192.db2.gz IFXWROLAJIHUGP-UHFFFAOYSA-N 0 1 378.900 3.408 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736777264 599794039 /nfs/dbraw/zinc/79/40/39/599794039.db2.gz ZVCTZNDCAVBXQH-GASCZTMLSA-N 0 1 379.526 3.389 20 0 GGADMN Cc1cccc2c1CC[N@H+](CC1=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N1C)C2 ZINC000738748264 599794272 /nfs/dbraw/zinc/79/42/72/599794272.db2.gz RHZGWZUHJNTGLY-OAQYLSRUSA-N 0 1 391.471 3.088 20 0 GGADMN O=C([O-])C1(NC(=O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CCCCC1 ZINC000739275107 599795203 /nfs/dbraw/zinc/79/52/03/599795203.db2.gz WNJRQKNPCBWJOV-UHFFFAOYSA-N 0 1 380.435 3.048 20 0 GGADMN COc1cc(C[N@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C2CC2)ccc1O ZINC000737880359 599799274 /nfs/dbraw/zinc/79/92/74/599799274.db2.gz DWWUFWLKNPADJI-UHFFFAOYSA-N 0 1 384.432 3.011 20 0 GGADMN COc1cc(C[N@@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C2CC2)ccc1O ZINC000737880359 599799278 /nfs/dbraw/zinc/79/92/78/599799278.db2.gz DWWUFWLKNPADJI-UHFFFAOYSA-N 0 1 384.432 3.011 20 0 GGADMN Cc1ccc(C[N@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)s1 ZINC000738594323 599811743 /nfs/dbraw/zinc/81/17/43/599811743.db2.gz IHOCKTGOCXXMCQ-SFHVURJKSA-N 0 1 385.489 3.223 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@@H+]1Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000739639333 599840477 /nfs/dbraw/zinc/84/04/77/599840477.db2.gz KYKZFBNVDLVGGB-OAHLLOKOSA-N 0 1 379.530 3.026 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000739639333 599840478 /nfs/dbraw/zinc/84/04/78/599840478.db2.gz KYKZFBNVDLVGGB-OAHLLOKOSA-N 0 1 379.530 3.026 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C(C)C)C2CCCC2)c(C(=O)[O-])c1C ZINC000737719030 599856335 /nfs/dbraw/zinc/85/63/35/599856335.db2.gz KVGUBNJECBFXDT-UHFFFAOYSA-N 0 1 382.482 3.133 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736789547 599864404 /nfs/dbraw/zinc/86/44/04/599864404.db2.gz OQJMYOIROZCYFV-QFBILLFUSA-N 0 1 388.512 3.003 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000567596159 599865825 /nfs/dbraw/zinc/86/58/25/599865825.db2.gz ZAZFQCSQBIRGDI-QGZVFWFLSA-N 0 1 393.430 3.217 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000567596158 599865957 /nfs/dbraw/zinc/86/59/57/599865957.db2.gz ZAZFQCSQBIRGDI-KRWDZBQOSA-N 0 1 393.430 3.217 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736886962 599878253 /nfs/dbraw/zinc/87/82/53/599878253.db2.gz QJJWAYSAUYYZPD-USCONSEESA-N 0 1 380.488 3.250 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736886962 599878255 /nfs/dbraw/zinc/87/82/55/599878255.db2.gz QJJWAYSAUYYZPD-USCONSEESA-N 0 1 380.488 3.250 20 0 GGADMN O=C([O-])C[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(F)c(F)c1 ZINC000739785535 599878864 /nfs/dbraw/zinc/87/88/64/599878864.db2.gz ORJPNGWWWQIECI-UHFFFAOYSA-N 0 1 396.821 3.211 20 0 GGADMN Cc1sc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c(C(=O)[O-])c1C ZINC000738997538 599881246 /nfs/dbraw/zinc/88/12/46/599881246.db2.gz QCSAOZNXCNIUGZ-UHFFFAOYSA-N 0 1 387.505 3.455 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000736582366 599888440 /nfs/dbraw/zinc/88/84/40/599888440.db2.gz GUNMEUABFFUILI-AWEZNQCLSA-N 0 1 397.443 3.406 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000736582366 599888442 /nfs/dbraw/zinc/88/84/42/599888442.db2.gz GUNMEUABFFUILI-AWEZNQCLSA-N 0 1 397.443 3.406 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1)C(C)C ZINC000737102002 599910591 /nfs/dbraw/zinc/91/05/91/599910591.db2.gz PEXRYMUGJVZDIC-FQEVSTJZSA-N 0 1 382.460 3.409 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000736796717 599928724 /nfs/dbraw/zinc/92/87/24/599928724.db2.gz YRUXWBQUKWMSHW-LSDHHAIUSA-N 0 1 378.538 3.492 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579239 599950188 /nfs/dbraw/zinc/95/01/88/599950188.db2.gz RWGNMSWXNDQEGB-DJJJIMSYSA-N 0 1 390.480 3.278 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579240 599950276 /nfs/dbraw/zinc/95/02/76/599950276.db2.gz RWGNMSWXNDQEGB-ORAYPTAESA-N 0 1 390.480 3.278 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736577901 599951113 /nfs/dbraw/zinc/95/11/13/599951113.db2.gz GRGJJDIKXJMMCT-SECBINFHSA-N 0 1 376.787 3.065 20 0 GGADMN O=C([O-])c1sc2ccccc2c1CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000740281063 599959262 /nfs/dbraw/zinc/95/92/62/599959262.db2.gz OKFCVEFXCDCXRU-LJQANCHMSA-N 0 1 396.512 3.451 20 0 GGADMN O=C([O-])c1sc2ccccc2c1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000740281060 599959304 /nfs/dbraw/zinc/95/93/04/599959304.db2.gz OKFCVEFXCDCXRU-IBGZPJMESA-N 0 1 396.512 3.451 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](CCO)Cc1ccccc1 ZINC000739274533 599962776 /nfs/dbraw/zinc/96/27/76/599962776.db2.gz QBTRSSMQSKHYIN-UHFFFAOYSA-N 0 1 397.258 3.125 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](CCO)Cc1ccccc1 ZINC000739274533 599962777 /nfs/dbraw/zinc/96/27/77/599962777.db2.gz QBTRSSMQSKHYIN-UHFFFAOYSA-N 0 1 397.258 3.125 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1C(=O)[O-])C[C@H](c1cccs1)N1CCOCC1 ZINC000737472446 599967879 /nfs/dbraw/zinc/96/78/79/599967879.db2.gz RVZVHEPQSUOJJG-QGZVFWFLSA-N 0 1 378.469 3.091 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738376344 599973649 /nfs/dbraw/zinc/97/36/49/599973649.db2.gz WTELLMHGLLQKID-CQSZACIVSA-N 0 1 390.509 3.189 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738376344 599973653 /nfs/dbraw/zinc/97/36/53/599973653.db2.gz WTELLMHGLLQKID-CQSZACIVSA-N 0 1 390.509 3.189 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000737069903 599977529 /nfs/dbraw/zinc/97/75/29/599977529.db2.gz ZKZFBWJWLKGZOX-CYBMUJFWSA-N 0 1 376.478 3.347 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127460 599993077 /nfs/dbraw/zinc/99/30/77/599993077.db2.gz KMNUJKAFPOLPFH-PXNSSMCTSA-N 0 1 385.460 3.360 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccnc2Cl)CC1 ZINC000739512950 599994155 /nfs/dbraw/zinc/99/41/55/599994155.db2.gz QTPMWVRDDKTBGB-MRXNPFEDSA-N 0 1 380.275 3.332 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cccnc2Cl)CC1 ZINC000739512939 599994378 /nfs/dbraw/zinc/99/43/78/599994378.db2.gz QTPMWVRDDKTBGB-INIZCTEOSA-N 0 1 380.275 3.332 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000738442780 600016211 /nfs/dbraw/zinc/01/62/11/600016211.db2.gz RNZDSCCSBLSZIR-KRWDZBQOSA-N 0 1 396.491 3.025 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000736793040 600020914 /nfs/dbraw/zinc/02/09/14/600020914.db2.gz IREUNQZPSXLNIV-CABCVRRESA-N 0 1 379.526 3.246 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000740204948 600021301 /nfs/dbraw/zinc/02/13/01/600021301.db2.gz ZOVVQFTULZMVOF-NRFANRHFSA-N 0 1 393.487 3.465 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000739823472 600021384 /nfs/dbraw/zinc/02/13/84/600021384.db2.gz HDRSEEHPVLYBLW-GOSISDBHSA-N 0 1 389.496 3.316 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000739873387 600021651 /nfs/dbraw/zinc/02/16/51/600021651.db2.gz PWJHEFIOFWYLRN-UHFFFAOYSA-N 0 1 399.516 3.354 20 0 GGADMN CC(C)[N@H+](CCOc1cccc(C(=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000566359842 600024122 /nfs/dbraw/zinc/02/41/22/600024122.db2.gz YKEZJRQSRRIDPJ-UHFFFAOYSA-N 0 1 381.432 3.323 20 0 GGADMN CC(C)[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000566359842 600024127 /nfs/dbraw/zinc/02/41/27/600024127.db2.gz YKEZJRQSRRIDPJ-UHFFFAOYSA-N 0 1 381.432 3.323 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000737491530 600028517 /nfs/dbraw/zinc/02/85/17/600028517.db2.gz AEEGXTGHFFGKGQ-UHFFFAOYSA-N 0 1 387.524 3.183 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883897 600036921 /nfs/dbraw/zinc/03/69/21/600036921.db2.gz PMEUEBGPZUDYTG-DYESRHJHSA-N 0 1 380.488 3.325 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000737862346 600039517 /nfs/dbraw/zinc/03/95/17/600039517.db2.gz IIGYOCQUWVSGET-WOJBJXKFSA-N 0 1 399.487 3.230 20 0 GGADMN COc1ccc(CC[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000581731851 600044142 /nfs/dbraw/zinc/04/41/42/600044142.db2.gz RRPVYIDSYKTDSP-LJQANCHMSA-N 0 1 385.460 3.329 20 0 GGADMN C[C@@H]([NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1Cl ZINC000736660756 600045490 /nfs/dbraw/zinc/04/54/90/600045490.db2.gz BIRAIYAKSGZJGB-BFUOFWGJSA-N 0 1 399.878 3.284 20 0 GGADMN CC(C)C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000736410378 600045496 /nfs/dbraw/zinc/04/54/96/600045496.db2.gz BZMVWEAAUAVTLW-INIZCTEOSA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000736873104 600045564 /nfs/dbraw/zinc/04/55/64/600045564.db2.gz AGOZFFOHHKJCRF-FZKQIMNGSA-N 0 1 389.521 3.091 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000736410379 600045753 /nfs/dbraw/zinc/04/57/53/600045753.db2.gz BZMVWEAAUAVTLW-MRXNPFEDSA-N 0 1 389.521 3.091 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000739286117 600046255 /nfs/dbraw/zinc/04/62/55/600046255.db2.gz NRGVDWSRMNHNTE-ROUUACIJSA-N 0 1 397.500 3.178 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000739286117 600046257 /nfs/dbraw/zinc/04/62/57/600046257.db2.gz NRGVDWSRMNHNTE-ROUUACIJSA-N 0 1 397.500 3.178 20 0 GGADMN C[N@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000737393719 600046361 /nfs/dbraw/zinc/04/63/61/600046361.db2.gz OFFRQRUTKXGUHV-LJQANCHMSA-N 0 1 399.878 3.065 20 0 GGADMN C[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000737393719 600046362 /nfs/dbraw/zinc/04/63/62/600046362.db2.gz OFFRQRUTKXGUHV-LJQANCHMSA-N 0 1 399.878 3.065 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC000649457766 600046824 /nfs/dbraw/zinc/04/68/24/600046824.db2.gz WTHXLGWVGFTPKX-QGZVFWFLSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc1 ZINC000649457766 600046827 /nfs/dbraw/zinc/04/68/27/600046827.db2.gz WTHXLGWVGFTPKX-QGZVFWFLSA-N 0 1 387.867 3.218 20 0 GGADMN CN(CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)[O-] ZINC000737426110 600046925 /nfs/dbraw/zinc/04/69/25/600046925.db2.gz NSDNNXLGANKTLO-QGZVFWFLSA-N 0 1 381.904 3.201 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000597659809 600047116 /nfs/dbraw/zinc/04/71/16/600047116.db2.gz FLAMHTMVKMAURH-QGZVFWFLSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cn1 ZINC000597659809 600047119 /nfs/dbraw/zinc/04/71/19/600047119.db2.gz FLAMHTMVKMAURH-QGZVFWFLSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000740214272 600047861 /nfs/dbraw/zinc/04/78/61/600047861.db2.gz FHXQTDQZKKIFEF-INIZCTEOSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000740214272 600047865 /nfs/dbraw/zinc/04/78/65/600047865.db2.gz FHXQTDQZKKIFEF-INIZCTEOSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000740214275 600047975 /nfs/dbraw/zinc/04/79/75/600047975.db2.gz FHXQTDQZKKIFEF-MRXNPFEDSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1cccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000740214275 600047978 /nfs/dbraw/zinc/04/79/78/600047978.db2.gz FHXQTDQZKKIFEF-MRXNPFEDSA-N 0 1 387.867 3.218 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c(C(=O)[O-])c1 ZINC000738027470 600071944 /nfs/dbraw/zinc/07/19/44/600071944.db2.gz XIBKNHUPLHUSPV-OAHLLOKOSA-N 0 1 386.423 3.383 20 0 GGADMN Cc1c(Cl)c(C(=O)[O-])nn1C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000738290651 600078640 /nfs/dbraw/zinc/07/86/40/600078640.db2.gz UOXRAXLAKXFSLZ-UHFFFAOYSA-N 0 1 386.677 3.438 20 0 GGADMN C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791172 600082247 /nfs/dbraw/zinc/08/22/47/600082247.db2.gz UWRULCZMOYIETE-RTLBZRNLSA-N 0 1 383.444 3.182 20 0 GGADMN C/C=C/c1ccc(OC[C@@H](O)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791172 600082251 /nfs/dbraw/zinc/08/22/51/600082251.db2.gz UWRULCZMOYIETE-RTLBZRNLSA-N 0 1 383.444 3.182 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+](C)CCc2ccc(Br)cc2)c(C)c1C(=O)[O-] ZINC000738233322 600091300 /nfs/dbraw/zinc/09/13/00/600091300.db2.gz FRMQACIVUSVRHB-UHFFFAOYSA-N 0 1 393.281 3.449 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](C)CCc2ccc(Br)cc2)c(C)c1C(=O)[O-] ZINC000738233322 600091303 /nfs/dbraw/zinc/09/13/03/600091303.db2.gz FRMQACIVUSVRHB-UHFFFAOYSA-N 0 1 393.281 3.449 20 0 GGADMN Cc1nc([C@@H]2CCC[N@@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)sc1C ZINC000738349182 600092886 /nfs/dbraw/zinc/09/28/86/600092886.db2.gz FVRRCWXTUKJZAY-CQSZACIVSA-N 0 1 375.494 3.465 20 0 GGADMN Cc1nc([C@@H]2CCC[N@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)sc1C ZINC000738349182 600092889 /nfs/dbraw/zinc/09/28/89/600092889.db2.gz FVRRCWXTUKJZAY-CQSZACIVSA-N 0 1 375.494 3.465 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCCc2ccccc2C1 ZINC000737505720 600094458 /nfs/dbraw/zinc/09/44/58/600094458.db2.gz OMFJPZKJUQIGNW-OAQYLSRUSA-N 0 1 391.471 3.170 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000659756174 600120624 /nfs/dbraw/zinc/12/06/24/600120624.db2.gz KIOIDDKUYGOQNA-UHFFFAOYSA-N 0 1 396.487 3.134 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000739754418 600124624 /nfs/dbraw/zinc/12/46/24/600124624.db2.gz PKFLITNDPGCSIX-IRXDYDNUSA-N 0 1 377.510 3.143 20 0 GGADMN CC(C)(C)C[N@@H+](CCCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736260882 600127312 /nfs/dbraw/zinc/12/73/12/600127312.db2.gz JAJPFIZZDXRYCG-UHFFFAOYSA-N 0 1 391.295 3.361 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218353 600128899 /nfs/dbraw/zinc/12/88/99/600128899.db2.gz NVWWRIAKJGLWLD-NVXWUHKLSA-N 0 1 399.516 3.498 20 0 GGADMN CC[C@]([NH2+]CC(=O)Nc1ccccc1Br)(C(=O)[O-])c1ccccc1 ZINC000736917453 600132014 /nfs/dbraw/zinc/13/20/14/600132014.db2.gz MTFCQCPXJIINAI-GOSISDBHSA-N 0 1 391.265 3.367 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000463339529 600132296 /nfs/dbraw/zinc/13/22/96/600132296.db2.gz IXHWGNCXFHGHQY-WIYYLYMNSA-N 0 1 384.451 3.170 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000738350913 600133615 /nfs/dbraw/zinc/13/36/15/600133615.db2.gz FVKIFEULIKLXQJ-OAHLLOKOSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000738350913 600133617 /nfs/dbraw/zinc/13/36/17/600133617.db2.gz FVKIFEULIKLXQJ-OAHLLOKOSA-N 0 1 387.505 3.470 20 0 GGADMN C[C@H](C[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571105 600143369 /nfs/dbraw/zinc/14/33/69/600143369.db2.gz IGNORIHGGZEMBG-IIBYNOLFSA-N 0 1 393.487 3.457 20 0 GGADMN C[C@@H](C[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571100 600143603 /nfs/dbraw/zinc/14/36/03/600143603.db2.gz IGNORIHGGZEMBG-HRAATJIYSA-N 0 1 393.487 3.457 20 0 GGADMN CCC[C@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC000736965580 600154530 /nfs/dbraw/zinc/15/45/30/600154530.db2.gz WWSFPNIUOPIABB-KUHUBIRLSA-N 0 1 389.477 3.252 20 0 GGADMN CC(C)(NC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000736329381 600155204 /nfs/dbraw/zinc/15/52/04/600155204.db2.gz WJEKAUNWWJWZCJ-INIZCTEOSA-N 0 1 387.505 3.010 20 0 GGADMN CC(C)(NC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000736329381 600155206 /nfs/dbraw/zinc/15/52/06/600155206.db2.gz WJEKAUNWWJWZCJ-INIZCTEOSA-N 0 1 387.505 3.010 20 0 GGADMN CCC[N@@H+](CCC(=O)N(C)CC(=O)[O-])[C@@H](C)c1ccccc1Br ZINC000737020348 600160228 /nfs/dbraw/zinc/16/02/28/600160228.db2.gz VNTSDUBHMVUKOL-ZDUSSCGKSA-N 0 1 385.302 3.155 20 0 GGADMN Cc1sc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000738998107 600176979 /nfs/dbraw/zinc/17/69/79/600176979.db2.gz XPASXVPBXBFWFH-SLEUVZQESA-N 0 1 395.525 3.169 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)[C@H](C)C1 ZINC000737166519 600181931 /nfs/dbraw/zinc/18/19/31/600181931.db2.gz FKRCFCFZUCBVBQ-QAPCUYQASA-N 0 1 392.500 3.059 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000737166115 600182088 /nfs/dbraw/zinc/18/20/88/600182088.db2.gz CGTIEOWBOQAVCX-WMLDXEAASA-N 0 1 378.473 3.035 20 0 GGADMN O=C([O-])c1occc1COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000740281581 600195555 /nfs/dbraw/zinc/19/55/55/600195555.db2.gz LJHJWORTDIFFIN-SFHVURJKSA-N 0 1 397.349 3.476 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(C[C@@H](C)C[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703225 600208520 /nfs/dbraw/zinc/20/85/20/600208520.db2.gz UJOBAYVFQNKZHO-HNNXBMFYSA-N 0 1 394.471 3.139 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738017142 600215399 /nfs/dbraw/zinc/21/53/99/600215399.db2.gz ZVJOJAXMPBCTMK-SFHVURJKSA-N 0 1 376.840 3.435 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738017141 600215638 /nfs/dbraw/zinc/21/56/38/600215638.db2.gz ZVJOJAXMPBCTMK-GOSISDBHSA-N 0 1 376.840 3.435 20 0 GGADMN C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737486627 600216091 /nfs/dbraw/zinc/21/60/91/600216091.db2.gz DQDYYWDYZBSFPX-FQEVSTJZSA-N 0 1 378.428 3.467 20 0 GGADMN CC(C)[N@H+](CCC(=O)[O-])Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000652478483 600221368 /nfs/dbraw/zinc/22/13/68/600221368.db2.gz GLLGZYXXIUOLHM-UHFFFAOYSA-N 0 1 391.781 3.020 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000652478483 600221369 /nfs/dbraw/zinc/22/13/69/600221369.db2.gz GLLGZYXXIUOLHM-UHFFFAOYSA-N 0 1 391.781 3.020 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000737867792 600225478 /nfs/dbraw/zinc/22/54/78/600225478.db2.gz QHFGEENWCYRWCK-AUSIDOKSSA-N 0 1 399.487 3.187 20 0 GGADMN O=C([O-])Nc1cccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000740043462 600231564 /nfs/dbraw/zinc/23/15/64/600231564.db2.gz SKAPHXIXRMXCSR-UHFFFAOYSA-N 0 1 384.436 3.295 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000737869171 600232483 /nfs/dbraw/zinc/23/24/83/600232483.db2.gz YDEDBZJIWBWTLI-DLBZAZTESA-N 0 1 379.497 3.281 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000738957766 600232516 /nfs/dbraw/zinc/23/25/16/600232516.db2.gz NMJVUHLAUXYJEU-ZDUSSCGKSA-N 0 1 387.354 3.177 20 0 GGADMN Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000564336721 600261538 /nfs/dbraw/zinc/26/15/38/600261538.db2.gz FXZGHJJZZPPVEY-QGZVFWFLSA-N 0 1 396.487 3.241 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000565366070 600261980 /nfs/dbraw/zinc/26/19/80/600261980.db2.gz NDZICDOUGBSKLB-KDOFPFPSSA-N 0 1 377.868 3.341 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000740191194 600263281 /nfs/dbraw/zinc/26/32/81/600263281.db2.gz UIEMCTKWRHJMFI-AWEZNQCLSA-N 0 1 381.407 3.237 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC000740191194 600263282 /nfs/dbraw/zinc/26/32/82/600263282.db2.gz UIEMCTKWRHJMFI-AWEZNQCLSA-N 0 1 381.407 3.237 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736765218 600264130 /nfs/dbraw/zinc/26/41/30/600264130.db2.gz ZNXGFOJXIHDBNR-RHSMWYFYSA-N 0 1 385.439 3.410 20 0 GGADMN CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C(=O)[O-])s3)CC2)cs1 ZINC000737280985 600272467 /nfs/dbraw/zinc/27/24/67/600272467.db2.gz ZDAGPOOILRQXJM-UHFFFAOYSA-N 0 1 393.534 3.107 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000739622411 600272769 /nfs/dbraw/zinc/27/27/69/600272769.db2.gz LMSZUEKINHMKJD-NRFANRHFSA-N 0 1 396.462 3.043 20 0 GGADMN O=C([O-])c1cn(CC(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000739356566 600273242 /nfs/dbraw/zinc/27/32/42/600273242.db2.gz KFTBGOYYNUAALD-QGZVFWFLSA-N 0 1 378.428 3.157 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000737283825 600275307 /nfs/dbraw/zinc/27/53/07/600275307.db2.gz AJXQEAFYEQTXQQ-NSHDSACASA-N 0 1 378.379 3.291 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604895 600280648 /nfs/dbraw/zinc/28/06/48/600280648.db2.gz PXZFWIXGLBRBHB-VQIMIIECSA-N 0 1 382.435 3.253 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cn1c(C3CC3)nn(-c3ccccc3)c1=S)CC2 ZINC000739537745 600282631 /nfs/dbraw/zinc/28/26/31/600282631.db2.gz ZQRMCSKNJLWOHJ-INIZCTEOSA-N 0 1 384.505 3.425 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000740075169 600282986 /nfs/dbraw/zinc/28/29/86/600282986.db2.gz ZHHABBBHVGHNRA-UHFFFAOYSA-N 0 1 387.867 3.430 20 0 GGADMN CCOC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000737163995 600286114 /nfs/dbraw/zinc/28/61/14/600286114.db2.gz BCQMKFBMVIIZED-KGLIPLIRSA-N 0 1 394.537 3.258 20 0 GGADMN CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000737163995 600286117 /nfs/dbraw/zinc/28/61/17/600286117.db2.gz BCQMKFBMVIIZED-KGLIPLIRSA-N 0 1 394.537 3.258 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@@H]4CC(=O)[O-])nc(N)c32)C1 ZINC000736803502 600291973 /nfs/dbraw/zinc/29/19/73/600291973.db2.gz WQHGSRYOJBZIMJ-CHWSQXEVSA-N 0 1 388.537 3.270 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000736432642 600293342 /nfs/dbraw/zinc/29/33/42/600293342.db2.gz RNHRNDZBEQQPNS-CYBMUJFWSA-N 0 1 390.553 3.374 20 0 GGADMN CC(C)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000736463739 600293536 /nfs/dbraw/zinc/29/35/36/600293536.db2.gz WUSWSCDGFJETLM-UHFFFAOYSA-N 0 1 378.469 3.356 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC2 ZINC000739279143 600298757 /nfs/dbraw/zinc/29/87/57/600298757.db2.gz VDHYDBNECUSYAF-LBPRGKRZSA-N 0 1 390.789 3.484 20 0 GGADMN CN(CC(=O)[O-])C(=O)CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000737403285 600299915 /nfs/dbraw/zinc/29/99/15/600299915.db2.gz WLOOUUHKLSNXHT-UHFFFAOYSA-N 0 1 386.414 3.383 20 0 GGADMN CC[C@]([NH2+]CC(=O)Nc1ccc(OC)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000736917109 600302721 /nfs/dbraw/zinc/30/27/21/600302721.db2.gz LWYSIXYPNWXBIN-LJQANCHMSA-N 0 1 376.840 3.267 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000405371142 600303511 /nfs/dbraw/zinc/30/35/11/600303511.db2.gz ZRMHXPTWRGFUSL-GFCCVEGCSA-N 0 1 392.253 3.186 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736920603 600304955 /nfs/dbraw/zinc/30/49/55/600304955.db2.gz WIOYQXZBDRBYLU-ZHRRBRCNSA-N 0 1 384.476 3.194 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000739279152 600310260 /nfs/dbraw/zinc/31/02/60/600310260.db2.gz VMKFDEMXBZOSBU-CQSZACIVSA-N 0 1 389.452 3.074 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccccc1Cc1ccccc1)CC2 ZINC000739277954 600311620 /nfs/dbraw/zinc/31/16/20/600311620.db2.gz LMMSGWAFCWYTJX-LJQANCHMSA-N 0 1 378.472 3.403 20 0 GGADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000736716875 600315886 /nfs/dbraw/zinc/31/58/86/600315886.db2.gz JPWBIQIHQGANMR-XOBRGWDASA-N 0 1 395.459 3.120 20 0 GGADMN O=C([O-])C1(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCCCC1 ZINC000739306762 600318125 /nfs/dbraw/zinc/31/81/25/600318125.db2.gz IZRRFBCZCBOZRV-HXUWFJFHSA-N 0 1 384.451 3.408 20 0 GGADMN C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000736776003 600328268 /nfs/dbraw/zinc/32/82/68/600328268.db2.gz POGSYISVKYLEGO-HBUWYVDXSA-N 0 1 382.451 3.182 20 0 GGADMN C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000736776003 600328272 /nfs/dbraw/zinc/32/82/72/600328272.db2.gz POGSYISVKYLEGO-HBUWYVDXSA-N 0 1 382.451 3.182 20 0 GGADMN Cc1ccc(CNC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1F ZINC000738598966 600328404 /nfs/dbraw/zinc/32/84/04/600328404.db2.gz ZQAIKPJKHZENKQ-UHFFFAOYSA-N 0 1 394.393 3.005 20 0 GGADMN Cc1ccc(CNC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1F ZINC000738598966 600328406 /nfs/dbraw/zinc/32/84/06/600328406.db2.gz ZQAIKPJKHZENKQ-UHFFFAOYSA-N 0 1 394.393 3.005 20 0 GGADMN CCN(C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000737053130 600328667 /nfs/dbraw/zinc/32/86/67/600328667.db2.gz LKSPBJZHIHOLAG-UHFFFAOYSA-N 0 1 382.451 3.423 20 0 GGADMN CCN(C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CCCCC1 ZINC000737053130 600328671 /nfs/dbraw/zinc/32/86/71/600328671.db2.gz LKSPBJZHIHOLAG-UHFFFAOYSA-N 0 1 382.451 3.423 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000739275751 600330943 /nfs/dbraw/zinc/33/09/43/600330943.db2.gz YUHSNOQXQXTPJC-UHFFFAOYSA-N 0 1 382.460 3.252 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cn1 ZINC000738886856 600341352 /nfs/dbraw/zinc/34/13/52/600341352.db2.gz GNZVQMHTRYGAKL-UHFFFAOYSA-N 0 1 394.435 3.007 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736789783 600343180 /nfs/dbraw/zinc/34/31/80/600343180.db2.gz RCZKXBGSTFXHBN-XLIONFOSSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000736599206 600346086 /nfs/dbraw/zinc/34/60/86/600346086.db2.gz ROZMDLRZLYVRSZ-MRXNPFEDSA-N 0 1 384.480 3.438 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736599642 600346900 /nfs/dbraw/zinc/34/69/00/600346900.db2.gz YELQUBYVTARQTO-INIZCTEOSA-N 0 1 396.491 3.365 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000737484561 600347820 /nfs/dbraw/zinc/34/78/20/600347820.db2.gz ZFIGSYXTYAHPNM-UHFFFAOYSA-N 0 1 382.464 3.146 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725254 600350392 /nfs/dbraw/zinc/35/03/92/600350392.db2.gz UALWOKZHFSKRHL-DNVCBOLYSA-N 0 1 382.464 3.411 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725252 600350499 /nfs/dbraw/zinc/35/04/99/600350499.db2.gz UALWOKZHFSKRHL-BEFAXECRSA-N 0 1 382.464 3.411 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736941574 600353483 /nfs/dbraw/zinc/35/34/83/600353483.db2.gz XGGLQDCAJCIUEO-HNNXBMFYSA-N 0 1 376.501 3.476 20 0 GGADMN O=C([O-])[C@@H]1CC12CCN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000739523544 600354200 /nfs/dbraw/zinc/35/42/00/600354200.db2.gz CUNBIXPMKKHCJN-NXEWRWPSSA-N 0 1 397.519 3.078 20 0 GGADMN C[C@H](c1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000736716889 600354679 /nfs/dbraw/zinc/35/46/79/600354679.db2.gz KAOPODKRPHIBFM-OAHLLOKOSA-N 0 1 383.448 3.100 20 0 GGADMN C[NH+](C)[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737359577 600360653 /nfs/dbraw/zinc/36/06/53/600360653.db2.gz BHHBNYIXGZVCTH-SFHVURJKSA-N 0 1 376.840 3.435 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C(=O)[O-])c1 ZINC000738698854 600363396 /nfs/dbraw/zinc/36/33/96/600363396.db2.gz YYOXYWKLAFXEQY-HKUYNNGSSA-N 0 1 388.895 3.311 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737360155 600363494 /nfs/dbraw/zinc/36/34/94/600363494.db2.gz FHRUSZCQQBJLBM-CRAIPNDOSA-N 0 1 392.858 3.142 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736574081 600364109 /nfs/dbraw/zinc/36/41/09/600364109.db2.gz ZOGQLTOIGXEFDI-VHSXEESVSA-N 0 1 383.420 3.068 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)[O-] ZINC000736574079 600364196 /nfs/dbraw/zinc/36/41/96/600364196.db2.gz ZOGQLTOIGXEFDI-UWVGGRQHSA-N 0 1 383.420 3.068 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)C[C@H](C)C(=O)[O-])n2)cc1C ZINC000263374564 600368244 /nfs/dbraw/zinc/36/82/44/600368244.db2.gz WJQILVLCLYUPGK-AWEZNQCLSA-N 0 1 375.494 3.326 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125828 600373543 /nfs/dbraw/zinc/37/35/43/600373543.db2.gz COZQVXMOKCKQFE-VQIMIIECSA-N 0 1 393.487 3.069 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000263340492 600374102 /nfs/dbraw/zinc/37/41/02/600374102.db2.gz NGUATYUNRXCOLP-QMMMGPOBSA-N 0 1 386.292 3.315 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000739622244 600377473 /nfs/dbraw/zinc/37/74/73/600377473.db2.gz BCCKWGPCCLNXNQ-UYAOXDASSA-N 0 1 398.890 3.167 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C(=O)[O-])cc3)CC2)oc1C ZINC000738348223 600378838 /nfs/dbraw/zinc/37/88/38/600378838.db2.gz GWDDQIPDNOMXAL-UHFFFAOYSA-N 0 1 386.452 3.023 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000736938199 600379040 /nfs/dbraw/zinc/37/90/40/600379040.db2.gz FRSYONYFPWPLNT-OAHLLOKOSA-N 0 1 377.485 3.172 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000390516676 600379644 /nfs/dbraw/zinc/37/96/44/600379644.db2.gz DGBZIINEEWCTPE-LBPRGKRZSA-N 0 1 377.391 3.305 20 0 GGADMN CCc1[nH]c(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c(C)c1C(=O)[O-] ZINC000737245947 600380835 /nfs/dbraw/zinc/38/08/35/600380835.db2.gz OOOWTYNLFWEESY-ZIAGYGMSSA-N 0 1 399.491 3.445 20 0 GGADMN CCCN(C(=O)c1ccc(C(=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000737009100 600382620 /nfs/dbraw/zinc/38/26/20/600382620.db2.gz NYCVHGAJBRGQOJ-UHFFFAOYSA-N 0 1 396.491 3.313 20 0 GGADMN CCCN(C(=O)c1cccc(C(=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000737007976 600382642 /nfs/dbraw/zinc/38/26/42/600382642.db2.gz AHDGJMOOBYNXNA-UHFFFAOYSA-N 0 1 396.491 3.313 20 0 GGADMN CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC000736993010 600395218 /nfs/dbraw/zinc/39/52/18/600395218.db2.gz TWHRWYAVFFDBNY-INIZCTEOSA-N 0 1 377.529 3.345 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000738735812 600395358 /nfs/dbraw/zinc/39/53/58/600395358.db2.gz SRAVXSFUCRQNPO-UHFFFAOYSA-N 0 1 397.475 3.371 20 0 GGADMN O=C([O-])c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000739415913 600398862 /nfs/dbraw/zinc/39/88/62/600398862.db2.gz YWTFUGOELWSHEN-MRXNPFEDSA-N 0 1 385.439 3.210 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000738524763 600404893 /nfs/dbraw/zinc/40/48/93/600404893.db2.gz HZJXHXPCTOLTCB-QGZVFWFLSA-N 0 1 376.815 3.063 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000738518787 600405162 /nfs/dbraw/zinc/40/51/62/600405162.db2.gz ONUHKOFGGLUDQD-MJQMVNBJSA-N 0 1 387.524 3.357 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736791187 600405923 /nfs/dbraw/zinc/40/59/23/600405923.db2.gz CHQTWNIAJLZVRJ-RYUDHWBXSA-N 0 1 385.411 3.228 20 0 GGADMN CC[NH+](CC)[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000647744392 600406136 /nfs/dbraw/zinc/40/61/36/600406136.db2.gz CBKMAUCFLYVRAS-MRXNPFEDSA-N 0 1 398.385 3.008 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000736793685 600408369 /nfs/dbraw/zinc/40/83/69/600408369.db2.gz MBTHOBRNKSLRBA-NWDGAFQWSA-N 0 1 385.411 3.228 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000736793684 600408394 /nfs/dbraw/zinc/40/83/94/600408394.db2.gz MBTHOBRNKSLRBA-NEPJUHHUSA-N 0 1 385.411 3.228 20 0 GGADMN CC[NH+](CC)[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000663144387 600408500 /nfs/dbraw/zinc/40/85/00/600408500.db2.gz AZUWFLNDTWIFNI-INIZCTEOSA-N 0 1 398.385 3.008 20 0 GGADMN O=C([O-])CC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCO1 ZINC000739724133 600410894 /nfs/dbraw/zinc/41/08/94/600410894.db2.gz ICPGMHIEONJBBU-RKNYENMMSA-N 0 1 394.320 3.057 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000740017630 600411084 /nfs/dbraw/zinc/41/10/84/600411084.db2.gz RADMFHYKVWFEQT-GOSISDBHSA-N 0 1 399.466 3.487 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000737973774 600411921 /nfs/dbraw/zinc/41/19/21/600411921.db2.gz UWGMSICNIADJEG-IBGZPJMESA-N 0 1 398.459 3.184 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000737973774 600411923 /nfs/dbraw/zinc/41/19/23/600411923.db2.gz UWGMSICNIADJEG-IBGZPJMESA-N 0 1 398.459 3.184 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000736216032 600412008 /nfs/dbraw/zinc/41/20/08/600412008.db2.gz TUNDZSLXWKBVNI-HNAYVOBHSA-N 0 1 384.501 3.180 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000736216032 600412010 /nfs/dbraw/zinc/41/20/10/600412010.db2.gz TUNDZSLXWKBVNI-HNAYVOBHSA-N 0 1 384.501 3.180 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000737973778 600412104 /nfs/dbraw/zinc/41/21/04/600412104.db2.gz UWGMSICNIADJEG-LJQANCHMSA-N 0 1 398.459 3.184 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000737973778 600412107 /nfs/dbraw/zinc/41/21/07/600412107.db2.gz UWGMSICNIADJEG-LJQANCHMSA-N 0 1 398.459 3.184 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)[O-] ZINC000736713376 600414449 /nfs/dbraw/zinc/41/44/49/600414449.db2.gz TZBXWXNGTPLDRY-HNNXBMFYSA-N 0 1 376.522 3.342 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000736815763 600422018 /nfs/dbraw/zinc/42/20/18/600422018.db2.gz XDXYFSMDVRUBBB-WHSLLNHNSA-N 0 1 386.467 3.350 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000659768649 600426947 /nfs/dbraw/zinc/42/69/47/600426947.db2.gz ZZXXSNNHTKHUPC-HNNXBMFYSA-N 0 1 383.448 3.285 20 0 GGADMN CCS[C@H]1CCCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC000737232138 600434950 /nfs/dbraw/zinc/43/49/50/600434950.db2.gz ZKRRBWRJUGNKCV-NSHDSACASA-N 0 1 381.523 3.099 20 0 GGADMN CCS[C@H]1CCCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC000737232138 600434951 /nfs/dbraw/zinc/43/49/51/600434951.db2.gz ZKRRBWRJUGNKCV-NSHDSACASA-N 0 1 381.523 3.099 20 0 GGADMN CN1CC[C@H]([N@H+](C)Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])C1=O ZINC000737514993 600437877 /nfs/dbraw/zinc/43/78/77/600437877.db2.gz PZKMAGKIPVSGKU-IBGZPJMESA-N 0 1 389.455 3.263 20 0 GGADMN CN1CC[C@H]([N@@H+](C)Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])C1=O ZINC000737514993 600437878 /nfs/dbraw/zinc/43/78/78/600437878.db2.gz PZKMAGKIPVSGKU-IBGZPJMESA-N 0 1 389.455 3.263 20 0 GGADMN C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736764539 600439006 /nfs/dbraw/zinc/43/90/06/600439006.db2.gz XASUQMNGLRQXAM-DYESRHJHSA-N 0 1 395.503 3.308 20 0 GGADMN C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736764562 600439052 /nfs/dbraw/zinc/43/90/52/600439052.db2.gz XASUQMNGLRQXAM-UWJYYQICSA-N 0 1 395.503 3.308 20 0 GGADMN O=C([O-])CC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000738564361 600441351 /nfs/dbraw/zinc/44/13/51/600441351.db2.gz VGBNMAHEXRBCFV-UHFFFAOYSA-N 0 1 386.271 3.247 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[NH+]1CCC2(CCCC2)CC1 ZINC000737650933 600441979 /nfs/dbraw/zinc/44/19/79/600441979.db2.gz OZHGYWUNSWVIPG-UHFFFAOYSA-N 0 1 394.493 3.136 20 0 GGADMN COC(=O)c1sc(NC(=O)C[NH+]2CCC3(CCCC3)CC2)c(C(=O)[O-])c1C ZINC000737720767 600442171 /nfs/dbraw/zinc/44/21/71/600442171.db2.gz UPLNQGPTNZEMMA-UHFFFAOYSA-N 0 1 394.493 3.136 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000738130667 600442586 /nfs/dbraw/zinc/44/25/86/600442586.db2.gz SSSKZJMAWMJULL-CQSZACIVSA-N 0 1 388.489 3.500 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000738130667 600442587 /nfs/dbraw/zinc/44/25/87/600442587.db2.gz SSSKZJMAWMJULL-CQSZACIVSA-N 0 1 388.489 3.500 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000736465939 600446256 /nfs/dbraw/zinc/44/62/56/600446256.db2.gz PAELLXRJNBCMAA-OAQYLSRUSA-N 0 1 380.488 3.346 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736920730 600453177 /nfs/dbraw/zinc/45/31/77/600453177.db2.gz ZOJSKPZEFFFCBY-SGTLLEGYSA-N 0 1 376.403 3.409 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000736952008 600454140 /nfs/dbraw/zinc/45/41/40/600454140.db2.gz YBDQPBCBBWYMRC-MJGOQNOKSA-N 0 1 385.460 3.143 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1)C(=O)[O-] ZINC000736581573 600454375 /nfs/dbraw/zinc/45/43/75/600454375.db2.gz JJGGLHHVRKRVMQ-QMMMGPOBSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736791158 600457042 /nfs/dbraw/zinc/45/70/42/600457042.db2.gz BUPBMWDIPJHAEV-MRXNPFEDSA-N 0 1 376.501 3.130 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736791156 600457087 /nfs/dbraw/zinc/45/70/87/600457087.db2.gz BUPBMWDIPJHAEV-INIZCTEOSA-N 0 1 376.501 3.130 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736993402 600459000 /nfs/dbraw/zinc/45/90/00/600459000.db2.gz DSYCDWDYTGNAKF-GOSISDBHSA-N 0 1 376.501 3.273 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000736486814 600468329 /nfs/dbraw/zinc/46/83/29/600468329.db2.gz FGERLGHXGOAHKS-IRXDYDNUSA-N 0 1 375.469 3.263 20 0 GGADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737522848 600469796 /nfs/dbraw/zinc/46/97/96/600469796.db2.gz QLRXGJGHVWQGBY-IAGOWNOFSA-N 0 1 377.510 3.095 20 0 GGADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737520611 600469926 /nfs/dbraw/zinc/46/99/26/600469926.db2.gz LQXPQNGTXXVKQH-ZIAGYGMSSA-N 0 1 383.395 3.077 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000738760324 600470519 /nfs/dbraw/zinc/47/05/19/600470519.db2.gz ILBPWKKHMXGZSX-WEYGHZABSA-N 0 1 392.499 3.211 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000740125870 600480331 /nfs/dbraw/zinc/48/03/31/600480331.db2.gz RUPIYVKKGMXDOO-SFHVURJKSA-N 0 1 396.365 3.049 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000738465024 600490051 /nfs/dbraw/zinc/49/00/51/600490051.db2.gz PHVMEBRCTIAFAD-LLVKDONJSA-N 0 1 394.880 3.162 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000738465024 600490053 /nfs/dbraw/zinc/49/00/53/600490053.db2.gz PHVMEBRCTIAFAD-LLVKDONJSA-N 0 1 394.880 3.162 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737068155 600492776 /nfs/dbraw/zinc/49/27/76/600492776.db2.gz FXOUJDQADHSBOZ-UHFFFAOYSA-N 0 1 384.480 3.270 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)NC2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000736759784 600495487 /nfs/dbraw/zinc/49/54/87/600495487.db2.gz KQLSVWXQLHYUBL-CMTQZCSUSA-N 0 1 387.524 3.324 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736788134 600495849 /nfs/dbraw/zinc/49/58/49/600495849.db2.gz AOXYQKVVBDOKEV-OAHLLOKOSA-N 0 1 386.448 3.161 20 0 GGADMN O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000739686851 600495969 /nfs/dbraw/zinc/49/59/69/600495969.db2.gz VRUOZWFIEYXIQF-SFHVURJKSA-N 0 1 397.475 3.176 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](C)[C@@H]4CCCC[C@@H]43)nc(=O)c12 ZINC000738293079 600508394 /nfs/dbraw/zinc/50/83/94/600508394.db2.gz WQEHGMJSABLVRQ-DRZSPHRISA-N 0 1 375.494 3.392 20 0 GGADMN O=C([O-])c1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1Cl ZINC000740150519 600511285 /nfs/dbraw/zinc/51/12/85/600511285.db2.gz RROJPEZCWLXTNR-UHFFFAOYSA-N 0 1 393.896 3.492 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C[C@@H]1CCCO1 ZINC000739723541 600512434 /nfs/dbraw/zinc/51/24/34/600512434.db2.gz LZJQJQSAXQFQNN-FQEVSTJZSA-N 0 1 382.460 3.395 20 0 GGADMN O=C([O-])c1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000739419363 600512757 /nfs/dbraw/zinc/51/27/57/600512757.db2.gz FDHVCXCTLMYTNP-UHFFFAOYSA-N 0 1 379.869 3.280 20 0 GGADMN O=C([O-])c1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1Cl ZINC000739419363 600512758 /nfs/dbraw/zinc/51/27/58/600512758.db2.gz FDHVCXCTLMYTNP-UHFFFAOYSA-N 0 1 379.869 3.280 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1nc2ccccc2s1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736660730 600523651 /nfs/dbraw/zinc/52/36/51/600523651.db2.gz AVSPVKLXSSTSSF-CHWSQXEVSA-N 0 1 383.473 3.350 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000736795300 600527849 /nfs/dbraw/zinc/52/78/49/600527849.db2.gz UURKPWYFXYJXPS-OAHLLOKOSA-N 0 1 385.464 3.209 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000736756241 600527983 /nfs/dbraw/zinc/52/79/83/600527983.db2.gz SMLPLQCWBXMVGI-IYBDPMFKSA-N 0 1 399.491 3.455 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000740203517 600534890 /nfs/dbraw/zinc/53/48/90/600534890.db2.gz NYYNLHNBQZIGLS-FQEVSTJZSA-N 0 1 379.460 3.075 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000737865906 600538210 /nfs/dbraw/zinc/53/82/10/600538210.db2.gz LQIMEKNINCJVMR-UXHICEINSA-N 0 1 399.487 3.149 20 0 GGADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263481044 600540850 /nfs/dbraw/zinc/54/08/50/600540850.db2.gz NZGBEUKPJJCBTE-AWEZNQCLSA-N 0 1 398.488 3.375 20 0 GGADMN O=C([O-])c1cc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(F)cc1F ZINC000739406073 600541250 /nfs/dbraw/zinc/54/12/50/600541250.db2.gz AWABILDCIRDQHY-CQSZACIVSA-N 0 1 389.402 3.449 20 0 GGADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000740159721 600542119 /nfs/dbraw/zinc/54/21/19/600542119.db2.gz AWXVSTLSLDXJLX-KXBFYZLASA-N 0 1 377.387 3.240 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737514714 600552003 /nfs/dbraw/zinc/55/20/03/600552003.db2.gz OKFOFCARQVKUFA-INIZCTEOSA-N 0 1 379.526 3.200 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000738531388 600557288 /nfs/dbraw/zinc/55/72/88/600557288.db2.gz HOTYNRIJCLJTJA-FQEVSTJZSA-N 0 1 384.476 3.151 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+](CCc3ccc(F)cc3)C3CC3)nc2c1 ZINC000740190799 600557296 /nfs/dbraw/zinc/55/72/96/600557296.db2.gz SUNDOJHEVMYUCL-UHFFFAOYSA-N 0 1 381.407 3.380 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+](CCc3ccc(F)cc3)C3CC3)nc2c1 ZINC000740190799 600557297 /nfs/dbraw/zinc/55/72/97/600557297.db2.gz SUNDOJHEVMYUCL-UHFFFAOYSA-N 0 1 381.407 3.380 20 0 GGADMN CC(C)C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000736438072 600557766 /nfs/dbraw/zinc/55/77/66/600557766.db2.gz ROJFZWYCWIRZOH-MRXNPFEDSA-N 0 1 394.468 3.216 20 0 GGADMN CC(C)C[N@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1 ZINC000736438647 600557784 /nfs/dbraw/zinc/55/77/84/600557784.db2.gz WIBKZAVYCFBZCH-LJQANCHMSA-N 0 1 388.439 3.154 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000263094854 600559618 /nfs/dbraw/zinc/55/96/18/600559618.db2.gz VYGAGQILMHXLPL-CALCHBBNSA-N 0 1 387.524 3.171 20 0 GGADMN CC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000736861741 600561725 /nfs/dbraw/zinc/56/17/25/600561725.db2.gz UREHVONZHPXBFX-LAUBAEHRSA-N 0 1 383.448 3.109 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000737068923 600567515 /nfs/dbraw/zinc/56/75/15/600567515.db2.gz LWVSQQLEMYYBMI-UHFFFAOYSA-N 0 1 381.436 3.035 20 0 GGADMN COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H](CC(C)C)NC(=O)[O-])CCC[N@H+]2C)cc1 ZINC000737981452 600572215 /nfs/dbraw/zinc/57/22/15/600572215.db2.gz LCOIYBXIOSGWSO-BHIYHBOVSA-N 0 1 392.496 3.304 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CC(=O)NCCC(=O)[O-] ZINC000738493259 600574684 /nfs/dbraw/zinc/57/46/84/600574684.db2.gz OSIVTBALWRQXMP-CQSZACIVSA-N 0 1 375.494 3.011 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CC(=O)NCCC(=O)[O-] ZINC000738493259 600574685 /nfs/dbraw/zinc/57/46/85/600574685.db2.gz OSIVTBALWRQXMP-CQSZACIVSA-N 0 1 375.494 3.011 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CC(=O)NCCC(=O)[O-] ZINC000738493255 600574748 /nfs/dbraw/zinc/57/47/48/600574748.db2.gz OSIVTBALWRQXMP-AWEZNQCLSA-N 0 1 375.494 3.011 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CC(=O)NCCC(=O)[O-] ZINC000738493255 600574749 /nfs/dbraw/zinc/57/47/49/600574749.db2.gz OSIVTBALWRQXMP-AWEZNQCLSA-N 0 1 375.494 3.011 20 0 GGADMN C[N@H+]1CCC[C@@H](COC(=O)CCNC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000737516043 600575715 /nfs/dbraw/zinc/57/57/15/600575715.db2.gz ZODLWVBGHQXDMT-XJKSGUPXSA-N 0 1 388.386 3.289 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+](C)Cc1ccccc1 ZINC000736215747 600587200 /nfs/dbraw/zinc/58/72/00/600587200.db2.gz NNYWYCGHMGFLGP-LBPRGKRZSA-N 0 1 378.375 3.445 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@@H+](C)Cc1ccccc1 ZINC000736215747 600587203 /nfs/dbraw/zinc/58/72/03/600587203.db2.gz NNYWYCGHMGFLGP-LBPRGKRZSA-N 0 1 378.375 3.445 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000736812792 600598160 /nfs/dbraw/zinc/59/81/60/600598160.db2.gz WNYZFBJBMKYEET-CBGDNZLLSA-N 0 1 396.487 3.194 20 0 GGADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736880114 600622944 /nfs/dbraw/zinc/62/29/44/600622944.db2.gz LFIBIEDHEVSCER-YSSFQJQWSA-N 0 1 385.508 3.180 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)cc1)C(C)C ZINC000737105756 600629414 /nfs/dbraw/zinc/62/94/14/600629414.db2.gz BUUCTEQWTJNWHN-UHFFFAOYSA-N 0 1 376.482 3.038 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000737794581 600640593 /nfs/dbraw/zinc/64/05/93/600640593.db2.gz PHGDXAFVZJBKQE-UHFFFAOYSA-N 0 1 383.659 3.008 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000737794581 600640594 /nfs/dbraw/zinc/64/05/94/600640594.db2.gz PHGDXAFVZJBKQE-UHFFFAOYSA-N 0 1 383.659 3.008 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])Cc1coc(-c2ccc(Br)cc2)n1 ZINC000737793602 600641224 /nfs/dbraw/zinc/64/12/24/600641224.db2.gz AEAONDFYKAHHBG-UHFFFAOYSA-N 0 1 383.242 3.027 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1coc(-c2ccc(Br)cc2)n1 ZINC000737793602 600641227 /nfs/dbraw/zinc/64/12/27/600641227.db2.gz AEAONDFYKAHHBG-UHFFFAOYSA-N 0 1 383.242 3.027 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])Cc1csc(-c2cccc(Br)c2)n1 ZINC000737795050 600641450 /nfs/dbraw/zinc/64/14/50/600641450.db2.gz WHRLJBOMDJHDAF-UHFFFAOYSA-N 0 1 399.310 3.496 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1csc(-c2cccc(Br)c2)n1 ZINC000737795050 600641451 /nfs/dbraw/zinc/64/14/51/600641451.db2.gz WHRLJBOMDJHDAF-UHFFFAOYSA-N 0 1 399.310 3.496 20 0 GGADMN C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000737447239 600643696 /nfs/dbraw/zinc/64/36/96/600643696.db2.gz RFHQSAZIUPMCEZ-UHFFFAOYSA-N 0 1 375.856 3.221 20 0 GGADMN CN(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000737332455 600682567 /nfs/dbraw/zinc/68/25/67/600682567.db2.gz NXNWMJSBBDENDO-LJQANCHMSA-N 0 1 383.448 3.030 20 0 GGADMN CN(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000737332455 600682570 /nfs/dbraw/zinc/68/25/70/600682570.db2.gz NXNWMJSBBDENDO-LJQANCHMSA-N 0 1 383.448 3.030 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000832916050 600683600 /nfs/dbraw/zinc/68/36/00/600683600.db2.gz KOCFXQWBAIGYNC-QAPCUYQASA-N 0 1 390.480 3.074 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1c(=O)scc1-c1ccccn1)C(=O)[O-] ZINC000736585834 600685958 /nfs/dbraw/zinc/68/59/58/600685958.db2.gz XEAGLAUOVSFIJM-HNNXBMFYSA-N 0 1 383.473 3.152 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)Cn1c(=O)scc1-c1ccccn1)C(=O)[O-] ZINC000736585834 600685960 /nfs/dbraw/zinc/68/59/60/600685960.db2.gz XEAGLAUOVSFIJM-HNNXBMFYSA-N 0 1 383.473 3.152 20 0 GGADMN COC(=O)c1ccc(CNc2nc(NCc3ccc(C(=O)[O-])cc3)cc[nH+]2)cc1 ZINC000737691045 600689282 /nfs/dbraw/zinc/68/92/82/600689282.db2.gz IGYYRGPUTYXANB-UHFFFAOYSA-N 0 1 392.415 3.186 20 0 GGADMN Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1C(=O)[O-] ZINC000285216234 600709572 /nfs/dbraw/zinc/70/95/72/600709572.db2.gz XCKUTDMWBJHIAJ-UHFFFAOYSA-N 0 1 390.505 3.012 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000581494645 600710649 /nfs/dbraw/zinc/71/06/49/600710649.db2.gz VXIBLYYQHYJOOV-QGZVFWFLSA-N 0 1 383.835 3.444 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000736822398 600712777 /nfs/dbraw/zinc/71/27/77/600712777.db2.gz HWGKKEGZZMZAGD-INIZCTEOSA-N 0 1 392.459 3.188 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000263014701 600713061 /nfs/dbraw/zinc/71/30/61/600713061.db2.gz NYDQLXUUEQPUOX-QKLQHJQFSA-N 0 1 387.524 3.171 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000263467614 600716739 /nfs/dbraw/zinc/71/67/39/600716739.db2.gz KJKLGOGYAAIWIF-IBGZPJMESA-N 0 1 380.444 3.313 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000263467614 600716741 /nfs/dbraw/zinc/71/67/41/600716741.db2.gz KJKLGOGYAAIWIF-IBGZPJMESA-N 0 1 380.444 3.313 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737020884 600716955 /nfs/dbraw/zinc/71/69/55/600716955.db2.gz MZLBQMNMHGSHCY-QGTPRVQTSA-N 0 1 385.464 3.059 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+]1Cn1ncc2cc(C(=O)[O-])ccc21)C(=O)OC(C)(C)C ZINC000830717532 600718759 /nfs/dbraw/zinc/71/87/59/600718759.db2.gz CIDOUSWCBPQMFW-INIZCTEOSA-N 0 1 388.468 3.023 20 0 GGADMN CN(C[C@@H]1CCC[N@H+]1Cn1ncc2cc(C(=O)[O-])ccc21)C(=O)OC(C)(C)C ZINC000830717532 600718761 /nfs/dbraw/zinc/71/87/61/600718761.db2.gz CIDOUSWCBPQMFW-INIZCTEOSA-N 0 1 388.468 3.023 20 0 GGADMN Cc1cccc(-n2ccn(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c2=S)c1 ZINC000832961225 600720414 /nfs/dbraw/zinc/72/04/14/600720414.db2.gz PPYRIDYNYYBMAA-UHFFFAOYSA-N 0 1 375.494 3.230 20 0 GGADMN CO[C@H](C)C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C(C)C ZINC000737736472 600720624 /nfs/dbraw/zinc/72/06/24/600720624.db2.gz ZPVDIUDIOOHJPR-SNVBAGLBSA-N 0 1 377.268 3.375 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1c2ccccc2n(C(F)F)c1=S)C1CCOCC1 ZINC000833235862 600720956 /nfs/dbraw/zinc/72/09/56/600720956.db2.gz IKAFJZUBCRVMAR-UHFFFAOYSA-N 0 1 385.436 3.481 20 0 GGADMN O=C([O-])CC[N@H+](Cn1nc(-c2cccc(Cl)c2)oc1=S)C1CCOCC1 ZINC000833236097 600721106 /nfs/dbraw/zinc/72/11/06/600721106.db2.gz KTNIANQBRINDSM-UHFFFAOYSA-N 0 1 397.884 3.439 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1nc(-c2cccc(Cl)c2)oc1=S)C1CCOCC1 ZINC000833236097 600721107 /nfs/dbraw/zinc/72/11/07/600721107.db2.gz KTNIANQBRINDSM-UHFFFAOYSA-N 0 1 397.884 3.439 20 0 GGADMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C12CCCC2 ZINC000737164600 600721228 /nfs/dbraw/zinc/72/12/28/600721228.db2.gz GIIPYQNBXPQYGH-SJORKVTESA-N 0 1 385.464 3.203 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C12CCCC2 ZINC000737164600 600721230 /nfs/dbraw/zinc/72/12/30/600721230.db2.gz GIIPYQNBXPQYGH-SJORKVTESA-N 0 1 385.464 3.203 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737166514 600721373 /nfs/dbraw/zinc/72/13/73/600721373.db2.gz XZPGFJSQJRPYRR-ROUUACIJSA-N 0 1 389.496 3.062 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829692720 600721555 /nfs/dbraw/zinc/72/15/55/600721555.db2.gz NQCGGIISIYXFQC-KRWDZBQOSA-N 0 1 390.915 3.345 20 0 GGADMN O=C([O-])CC[N@H+](Cn1nc(-c2ccc(Cl)cc2)oc1=S)C1CCOCC1 ZINC000833235872 600722236 /nfs/dbraw/zinc/72/22/36/600722236.db2.gz JHTKEUPDWQJDML-UHFFFAOYSA-N 0 1 397.884 3.439 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1nc(-c2ccc(Cl)cc2)oc1=S)C1CCOCC1 ZINC000833235872 600722238 /nfs/dbraw/zinc/72/22/38/600722238.db2.gz JHTKEUPDWQJDML-UHFFFAOYSA-N 0 1 397.884 3.439 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[C@@H]1C ZINC000737111754 600724999 /nfs/dbraw/zinc/72/49/99/600724999.db2.gz DHBIUYSHRJHCJE-STQMWFEESA-N 0 1 396.534 3.093 20 0 GGADMN Cc1sc(NC(=O)COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c(C(=O)[O-])c1C ZINC000738997634 600736309 /nfs/dbraw/zinc/73/63/09/600736309.db2.gz RQEPMQKZJYHKPM-MRXNPFEDSA-N 0 1 396.509 3.055 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccccc3F)cc2)C[C@@H](C)O1 ZINC000828455783 600736941 /nfs/dbraw/zinc/73/69/41/600736941.db2.gz GQBFHSIQBSCHSU-ZOCZFRKYSA-N 0 1 386.467 3.350 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736815887 600744788 /nfs/dbraw/zinc/74/47/88/600744788.db2.gz ZKOLTQQKOXRBNC-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN O=C([O-])[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000833166703 600748061 /nfs/dbraw/zinc/74/80/61/600748061.db2.gz ISWWXYSQVKMPRL-INIZCTEOSA-N 0 1 387.307 3.354 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820344120 600748368 /nfs/dbraw/zinc/74/83/68/600748368.db2.gz PUIRJDIAUBVMHS-HDYDNRTBSA-N 0 1 387.524 3.183 20 0 GGADMN O=C([O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000263282928 600750051 /nfs/dbraw/zinc/75/00/51/600750051.db2.gz UBBUUFQOKGBMHM-WMZOPIPTSA-N 0 1 393.915 3.201 20 0 GGADMN O=C([O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000263282928 600750053 /nfs/dbraw/zinc/75/00/53/600750053.db2.gz UBBUUFQOKGBMHM-WMZOPIPTSA-N 0 1 393.915 3.201 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000382616278 600750722 /nfs/dbraw/zinc/75/07/22/600750722.db2.gz QMLZQKGPKCOTRW-SFHVURJKSA-N 0 1 375.513 3.328 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000830928102 600754408 /nfs/dbraw/zinc/75/44/08/600754408.db2.gz HMTUGLPDFRUYOK-BFYDXBDKSA-N 0 1 391.537 3.027 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)c3cccc(OCC(=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000737987433 600756151 /nfs/dbraw/zinc/75/61/51/600756151.db2.gz SKSBLJXZOWUFCB-LAUBAEHRSA-N 0 1 399.443 3.008 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+]([C@@H]1CCN(c3sccc3C(=O)[O-])C1=O)C2 ZINC000832493435 600795785 /nfs/dbraw/zinc/79/57/85/600795785.db2.gz CAQFIZBTAFUHHL-QGZVFWFLSA-N 0 1 386.473 3.009 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+]([C@@H]1CCN(c3sccc3C(=O)[O-])C1=O)C2 ZINC000832493435 600795787 /nfs/dbraw/zinc/79/57/87/600795787.db2.gz CAQFIZBTAFUHHL-QGZVFWFLSA-N 0 1 386.473 3.009 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC000833335896 600797966 /nfs/dbraw/zinc/79/79/66/600797966.db2.gz GFDVDNXZRUJVLN-RHSMWYFYSA-N 0 1 388.464 3.255 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](Oc3ccccc3)C2)C1=O ZINC000833336233 600798835 /nfs/dbraw/zinc/79/88/35/600798835.db2.gz NPXZDYQYEIXTPJ-DOTOQJQBSA-N 0 1 386.473 3.095 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)C1=O ZINC000833336233 600798837 /nfs/dbraw/zinc/79/88/37/600798837.db2.gz NPXZDYQYEIXTPJ-DOTOQJQBSA-N 0 1 386.473 3.095 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738533182 600801490 /nfs/dbraw/zinc/80/14/90/600801490.db2.gz OBRZIKCHWLZMGM-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738533182 600801491 /nfs/dbraw/zinc/80/14/91/600801491.db2.gz OBRZIKCHWLZMGM-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000825994251 600805708 /nfs/dbraw/zinc/80/57/08/600805708.db2.gz FANUUNIOIAWJOS-LIRRHRJNSA-N 0 1 386.879 3.419 20 0 GGADMN C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000825994251 600805709 /nfs/dbraw/zinc/80/57/09/600805709.db2.gz FANUUNIOIAWJOS-LIRRHRJNSA-N 0 1 386.879 3.419 20 0 GGADMN C[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736649901 600809102 /nfs/dbraw/zinc/80/91/02/600809102.db2.gz XNBZHIBLFWQULY-KXBFYZLASA-N 0 1 398.463 3.188 20 0 GGADMN C[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736649901 600809103 /nfs/dbraw/zinc/80/91/03/600809103.db2.gz XNBZHIBLFWQULY-KXBFYZLASA-N 0 1 398.463 3.188 20 0 GGADMN Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000738303343 600809645 /nfs/dbraw/zinc/80/96/45/600809645.db2.gz HHCNOZLKNZBBEU-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000738303343 600809646 /nfs/dbraw/zinc/80/96/46/600809646.db2.gz HHCNOZLKNZBBEU-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN COC(=O)c1cc(C[N@@H+](C)CCOc2ccc(C(=O)[O-])cc2Cl)oc1C ZINC000831249175 600814583 /nfs/dbraw/zinc/81/45/83/600814583.db2.gz VXZDLFBVDQGWBG-UHFFFAOYSA-N 0 1 381.812 3.237 20 0 GGADMN 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395.912 3.393 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)cs2)c1 ZINC000833326111 600829914 /nfs/dbraw/zinc/82/99/14/600829914.db2.gz IQCBYCBBDRONPC-QGZVFWFLSA-N 0 1 399.516 3.343 20 0 GGADMN O=C([O-])c1ccc(OCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)c(Cl)c1 ZINC000833321156 600832212 /nfs/dbraw/zinc/83/22/12/600832212.db2.gz KDYCIQMWSBQOFB-AWEZNQCLSA-N 0 1 375.856 3.246 20 0 GGADMN O=C([O-])c1ccc(OCC[N@H+]2CC[C@H](CNc3ccccn3)C2)c(Cl)c1 ZINC000833321157 600832349 /nfs/dbraw/zinc/83/23/49/600832349.db2.gz KDYCIQMWSBQOFB-CQSZACIVSA-N 0 1 375.856 3.246 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000569463305 600835559 /nfs/dbraw/zinc/83/55/59/600835559.db2.gz NHRYMHCKYFPBQP-KPLVRAHFSA-N 0 1 399.487 3.203 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)[C@@H](C)CO2)c1 ZINC000569463305 600835560 /nfs/dbraw/zinc/83/55/60/600835560.db2.gz NHRYMHCKYFPBQP-KPLVRAHFSA-N 0 1 399.487 3.203 20 0 GGADMN 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CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000820377792 600839513 /nfs/dbraw/zinc/83/95/13/600839513.db2.gz JBBAQFBQGBGIBA-OAHLLOKOSA-N 0 1 389.521 3.257 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC000577500546 600839839 /nfs/dbraw/zinc/83/98/39/600839839.db2.gz WBANUCBFULXGCR-NRFANRHFSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC000577500546 600839841 /nfs/dbraw/zinc/83/98/41/600839841.db2.gz WBANUCBFULXGCR-NRFANRHFSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000164620216 600845219 /nfs/dbraw/zinc/84/52/19/600845219.db2.gz ZCGJKOJYKYGUBX-KRWDZBQOSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000516932563 600846904 /nfs/dbraw/zinc/84/69/04/600846904.db2.gz UNKKMVVPYHJSIF-SJLPKXTDSA-N 0 1 387.501 3.239 20 0 GGADMN Cc1nsc(N2CCC[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CC2)n1 ZINC000833024299 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HBJCSIUWSYRVDZ-QFIPXVFZSA-N 0 1 390.524 3.189 20 0 GGADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000832929931 600858137 /nfs/dbraw/zinc/85/81/37/600858137.db2.gz NYRSAMRVZIIBNN-YSSFQJQWSA-N 0 1 396.487 3.399 20 0 GGADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000832929931 600858138 /nfs/dbraw/zinc/85/81/38/600858138.db2.gz NYRSAMRVZIIBNN-YSSFQJQWSA-N 0 1 396.487 3.399 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000831918109 600863149 /nfs/dbraw/zinc/86/31/49/600863149.db2.gz LHUJQTCLJHKUPY-UAGQMJEPSA-N 0 1 389.448 3.199 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)[C@@H]1c1cccs1 ZINC000659758919 600866706 /nfs/dbraw/zinc/86/67/06/600866706.db2.gz KIRIUFVOHTXXAL-DNVCBOLYSA-N 0 1 388.489 3.024 20 0 GGADMN COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000737852047 600877657 /nfs/dbraw/zinc/87/76/57/600877657.db2.gz JQAWMZYYDZSKKE-INIZCTEOSA-N 0 1 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C[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])CC[N@H+]1C ZINC000736762437 600929321 /nfs/dbraw/zinc/92/93/21/600929321.db2.gz QQCJEOCPKZFQJT-ZIAGYGMSSA-N 0 1 388.489 3.483 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)Cc1cccc(F)c1 ZINC000833164021 600935745 /nfs/dbraw/zinc/93/57/45/600935745.db2.gz MWKJMWZQTRSSDM-TZIWHRDSSA-N 0 1 398.478 3.240 20 0 GGADMN O[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(Cl)cc1Cl ZINC000823680836 607481360 /nfs/dbraw/zinc/48/13/60/607481360.db2.gz AQAIWHPGSAOTHL-HNNXBMFYSA-N 0 1 382.226 3.136 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000831264843 600947032 /nfs/dbraw/zinc/94/70/32/600947032.db2.gz QRSVCOZWSLKJBH-MRXNPFEDSA-N 0 1 396.443 3.022 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000736276645 600950050 /nfs/dbraw/zinc/95/00/50/600950050.db2.gz PLUZOGAJRMHIRO-OAHLLOKOSA-N 0 1 382.888 3.484 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000736276644 600950124 /nfs/dbraw/zinc/95/01/24/600950124.db2.gz PLUZOGAJRMHIRO-HNNXBMFYSA-N 0 1 382.888 3.484 20 0 GGADMN CC[C@]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000736917060 600953333 /nfs/dbraw/zinc/95/33/33/600953333.db2.gz KSTGWZLOTHLQPM-JOCHJYFZSA-N 0 1 398.507 3.382 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000739720303 600953819 /nfs/dbraw/zinc/95/38/19/600953819.db2.gz QZCNDAPVCUEOEY-MRXNPFEDSA-N 0 1 390.386 3.267 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000833182651 600954538 /nfs/dbraw/zinc/95/45/38/600954538.db2.gz CRJJEGCVBQUGPG-INMHGKMJSA-N 0 1 398.425 3.287 20 0 GGADMN CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2)CC1 ZINC000830954954 600959856 /nfs/dbraw/zinc/95/98/56/600959856.db2.gz TZTYEQFTOZFYGJ-UHFFFAOYSA-N 0 1 387.867 3.038 20 0 GGADMN CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC000737280181 600965706 /nfs/dbraw/zinc/96/57/06/600965706.db2.gz CUNKHWUGXVKWTH-ZFWWWQNUSA-N 0 1 378.494 3.145 20 0 GGADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000737448571 600966234 /nfs/dbraw/zinc/96/62/34/600966234.db2.gz DKXSUKLWRXGZHN-UHFFFAOYSA-N 0 1 395.358 3.226 20 0 GGADMN COC[C@H]1C[N@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])CCO1 ZINC000569347513 600968860 /nfs/dbraw/zinc/96/88/60/600968860.db2.gz FVLHKIFKWLTBSL-QGZVFWFLSA-N 0 1 392.455 3.447 20 0 GGADMN COC[C@H]1C[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])CCO1 ZINC000569347513 600968862 /nfs/dbraw/zinc/96/88/62/600968862.db2.gz FVLHKIFKWLTBSL-QGZVFWFLSA-N 0 1 392.455 3.447 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830860838 600969189 /nfs/dbraw/zinc/96/91/89/600969189.db2.gz ZQQFHRGVIRAHHG-IRXDYDNUSA-N 0 1 384.476 3.419 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830860838 600969191 /nfs/dbraw/zinc/96/91/91/600969191.db2.gz ZQQFHRGVIRAHHG-IRXDYDNUSA-N 0 1 384.476 3.419 20 0 GGADMN COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-])cc1 ZINC000738113511 600972178 /nfs/dbraw/zinc/97/21/78/600972178.db2.gz HDPWJADEMOTBLM-MRXNPFEDSA-N 0 1 384.476 3.288 20 0 GGADMN C[C@H]1Cc2ccccc2C[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000736826201 600972297 /nfs/dbraw/zinc/97/22/97/600972297.db2.gz QTHBHLVLGJLWDR-BTYIYWSLSA-N 0 1 391.471 3.168 20 0 GGADMN C[C@@H]1Cc2ccccc2C[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736826203 600972438 /nfs/dbraw/zinc/97/24/38/600972438.db2.gz QTHBHLVLGJLWDR-QVKFZJNVSA-N 0 1 391.471 3.168 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736410394 600973150 /nfs/dbraw/zinc/97/31/50/600973150.db2.gz CBKRPMJVFGEWAW-HUUCEWRRSA-N 0 1 381.542 3.061 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736410394 600973151 /nfs/dbraw/zinc/97/31/51/600973151.db2.gz CBKRPMJVFGEWAW-HUUCEWRRSA-N 0 1 381.542 3.061 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736880024 600973847 /nfs/dbraw/zinc/97/38/47/600973847.db2.gz SVZRUZUKKKQONR-VBQJREDUSA-N 0 1 381.542 3.061 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736880024 600973849 /nfs/dbraw/zinc/97/38/49/600973849.db2.gz SVZRUZUKKKQONR-VBQJREDUSA-N 0 1 381.542 3.061 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)n1 ZINC000736523529 600974497 /nfs/dbraw/zinc/97/44/97/600974497.db2.gz ZLUDKEUVQKOCGG-GDBMZVCRSA-N 0 1 393.553 3.158 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000737258468 600978367 /nfs/dbraw/zinc/97/83/67/600978367.db2.gz DSFKDRJDDMJADI-PMACEKPBSA-N 0 1 396.487 3.407 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000737258468 600978368 /nfs/dbraw/zinc/97/83/68/600978368.db2.gz DSFKDRJDDMJADI-PMACEKPBSA-N 0 1 396.487 3.407 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000737863421 600978725 /nfs/dbraw/zinc/97/87/25/600978725.db2.gz ODWLTHIWLUTZJV-SJORKVTESA-N 0 1 389.448 3.262 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000737863410 600978772 /nfs/dbraw/zinc/97/87/72/600978772.db2.gz ODWLTHIWLUTZJV-DLBZAZTESA-N 0 1 389.448 3.262 20 0 GGADMN C[C@@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)[N@@H+](C)Cc1ccccc1 ZINC000825977319 600979776 /nfs/dbraw/zinc/97/97/76/600979776.db2.gz CWZHGIHUMCEDDV-HNNXBMFYSA-N 0 1 390.430 3.289 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000736810234 600981336 /nfs/dbraw/zinc/98/13/36/600981336.db2.gz SWWSTSVSGVKYCW-YHYVQYDKSA-N 0 1 392.499 3.150 20 0 GGADMN CCc1[nH]c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000830184186 600984087 /nfs/dbraw/zinc/98/40/87/600984087.db2.gz VVRNYUNIJYCUTB-KRWDZBQOSA-N 0 1 383.492 3.320 20 0 GGADMN CCc1[nH]c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000830184187 600984148 /nfs/dbraw/zinc/98/41/48/600984148.db2.gz VVRNYUNIJYCUTB-QGZVFWFLSA-N 0 1 383.492 3.320 20 0 GGADMN CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830472724 600984260 /nfs/dbraw/zinc/98/42/60/600984260.db2.gz YTCKNGRMYFMBOT-NRFANRHFSA-N 0 1 380.488 3.440 20 0 GGADMN Cc1ccc([C@@H](O)C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1 ZINC000832924436 600986631 /nfs/dbraw/zinc/98/66/31/600986631.db2.gz JVWPNPFWTGAART-VQTJNVASSA-N 0 1 388.895 3.125 20 0 GGADMN Cc1ccc([C@H](O)C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1 ZINC000832924438 600986877 /nfs/dbraw/zinc/98/68/77/600986877.db2.gz JVWPNPFWTGAART-WOJBJXKFSA-N 0 1 388.895 3.125 20 0 GGADMN CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000829860717 600988698 /nfs/dbraw/zinc/98/86/98/600988698.db2.gz BPMGINXEZDXHAQ-BXUZGUMPSA-N 0 1 375.252 3.330 20 0 GGADMN CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000829860717 600988700 /nfs/dbraw/zinc/98/87/00/600988700.db2.gz BPMGINXEZDXHAQ-BXUZGUMPSA-N 0 1 375.252 3.330 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650504482 600989122 /nfs/dbraw/zinc/98/91/22/600989122.db2.gz OWOIMEOEPNKGFL-GOSISDBHSA-N 0 1 384.480 3.065 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650504482 600989125 /nfs/dbraw/zinc/98/91/25/600989125.db2.gz OWOIMEOEPNKGFL-GOSISDBHSA-N 0 1 384.480 3.065 20 0 GGADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833159533 600989215 /nfs/dbraw/zinc/98/92/15/600989215.db2.gz SVGVNSLMYHUFMG-SJCJKPOMSA-N 0 1 391.830 3.351 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000833141666 600989336 /nfs/dbraw/zinc/98/93/36/600989336.db2.gz XPKBAUVCPZRQPU-WBMJQRKESA-N 0 1 385.291 3.357 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000650506407 600989730 /nfs/dbraw/zinc/98/97/30/600989730.db2.gz KUGOABAXPFUVLY-KRWDZBQOSA-N 0 1 387.505 3.462 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000650507084 600989769 /nfs/dbraw/zinc/98/97/69/600989769.db2.gz FTEODZFNXQDKAS-OAHLLOKOSA-N 0 1 391.468 3.141 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000650507084 600989770 /nfs/dbraw/zinc/98/97/70/600989770.db2.gz FTEODZFNXQDKAS-OAHLLOKOSA-N 0 1 391.468 3.141 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000650507083 600989831 /nfs/dbraw/zinc/98/98/31/600989831.db2.gz FTEODZFNXQDKAS-HNNXBMFYSA-N 0 1 391.468 3.141 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000650507083 600989833 /nfs/dbraw/zinc/98/98/33/600989833.db2.gz FTEODZFNXQDKAS-HNNXBMFYSA-N 0 1 391.468 3.141 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2CC(=O)[O-])c(OC)cc1Cl ZINC000650506662 600989914 /nfs/dbraw/zinc/98/99/14/600989914.db2.gz URQKRSWGVQGFID-GFCCVEGCSA-N 0 1 384.860 3.015 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000833170693 600998120 /nfs/dbraw/zinc/99/81/20/600998120.db2.gz ISGRKHSAJWWZMS-QGZVFWFLSA-N 0 1 387.307 3.163 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000833170691 600998230 /nfs/dbraw/zinc/99/82/30/600998230.db2.gz ISGRKHSAJWWZMS-KRWDZBQOSA-N 0 1 387.307 3.163 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000828258523 601005049 /nfs/dbraw/zinc/00/50/49/601005049.db2.gz SLOIRDHQWCROGH-IAGOWNOFSA-N 0 1 389.496 3.268 20 0 GGADMN C[N@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000830874907 601009500 /nfs/dbraw/zinc/00/95/00/601009500.db2.gz OEIBUFHOAKFHMP-QGZVFWFLSA-N 0 1 392.459 3.134 20 0 GGADMN C[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000830874907 601009502 /nfs/dbraw/zinc/00/95/02/601009502.db2.gz OEIBUFHOAKFHMP-QGZVFWFLSA-N 0 1 392.459 3.134 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)cs2)cc1 ZINC000832943900 601009648 /nfs/dbraw/zinc/00/96/48/601009648.db2.gz MREXINMAAJBJOJ-QGZVFWFLSA-N 0 1 399.516 3.319 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)cs2)cc1 ZINC000832943898 601009907 /nfs/dbraw/zinc/00/99/07/601009907.db2.gz MREXINMAAJBJOJ-KRWDZBQOSA-N 0 1 399.516 3.319 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+](CCC(=O)[O-])C(C)C)cs2)cc1 ZINC000832943627 601010154 /nfs/dbraw/zinc/01/01/54/601010154.db2.gz BEMBZZAOARKJKN-UHFFFAOYSA-N 0 1 375.494 3.318 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833169440 601011596 /nfs/dbraw/zinc/01/15/96/601011596.db2.gz BJEFVKXYDZPOLT-WBMJQRKESA-N 0 1 385.291 3.454 20 0 GGADMN CC(C)c1oc([C@H]2CCC[N@H+]2CCC(=O)NCC(=O)[O-])nc1-c1ccccc1 ZINC000827180503 601011569 /nfs/dbraw/zinc/01/15/69/601011569.db2.gz VTKROIWXCSTDNF-MRXNPFEDSA-N 0 1 385.464 3.193 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833169438 601011646 /nfs/dbraw/zinc/01/16/46/601011646.db2.gz BJEFVKXYDZPOLT-MLGOLLRUSA-N 0 1 385.291 3.454 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000830643832 601014060 /nfs/dbraw/zinc/01/40/60/601014060.db2.gz MYOSSJDURGLCLQ-HXUWFJFHSA-N 0 1 396.491 3.296 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221111 601016338 /nfs/dbraw/zinc/01/63/38/601016338.db2.gz BFNYOXHRFZEBNY-XLIONFOSSA-N 0 1 394.512 3.065 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221111 601016343 /nfs/dbraw/zinc/01/63/43/601016343.db2.gz BFNYOXHRFZEBNY-XLIONFOSSA-N 0 1 394.512 3.065 20 0 GGADMN C[C@@H]1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828276387 601017885 /nfs/dbraw/zinc/01/78/85/601017885.db2.gz BRJUZODJNVTVSS-QGZVFWFLSA-N 0 1 397.475 3.278 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC000736873869 601017959 /nfs/dbraw/zinc/01/79/59/601017959.db2.gz BVRZRRAGCWNMLD-QKYXUNIQSA-N 0 1 376.497 3.228 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826210889 607483311 /nfs/dbraw/zinc/48/33/11/607483311.db2.gz INFAFOIRBNQQHR-SFHVURJKSA-N 0 1 395.463 3.230 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000828193333 601024454 /nfs/dbraw/zinc/02/44/54/601024454.db2.gz WRAAZAHFHYYKQD-CSBVUPFYSA-N 0 1 378.469 3.100 20 0 GGADMN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1CC[C@@H](COCc3ccccc3)C1)[nH]c2=O ZINC000833324605 601024642 /nfs/dbraw/zinc/02/46/42/601024642.db2.gz BJSCAVBZUDJVEB-MRXNPFEDSA-N 0 1 393.443 3.072 20 0 GGADMN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1CC[C@@H](COCc3ccccc3)C1)[nH]c2=O ZINC000833324605 601024644 /nfs/dbraw/zinc/02/46/44/601024644.db2.gz BJSCAVBZUDJVEB-MRXNPFEDSA-N 0 1 393.443 3.072 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000832916414 601024956 /nfs/dbraw/zinc/02/49/56/601024956.db2.gz OSZJQWRXDBRUCF-GOSISDBHSA-N 0 1 382.460 3.170 20 0 GGADMN CCCCOc1ccc(-c2nnc(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])o2)cc1 ZINC000829421443 601025857 /nfs/dbraw/zinc/02/58/57/601025857.db2.gz BHDLFMCKHFZEEI-OAHLLOKOSA-N 0 1 391.493 3.308 20 0 GGADMN CCCCOc1ccc(-c2nnc(C[N@H+]3CCSC[C@H]3CC(=O)[O-])o2)cc1 ZINC000829421443 601025859 /nfs/dbraw/zinc/02/58/59/601025859.db2.gz BHDLFMCKHFZEEI-OAHLLOKOSA-N 0 1 391.493 3.308 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000825823759 601026793 /nfs/dbraw/zinc/02/67/93/601026793.db2.gz SQSXFEPUNCTEEY-HIFRSBDPSA-N 0 1 389.452 3.273 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000825823759 601026795 /nfs/dbraw/zinc/02/67/95/601026795.db2.gz SQSXFEPUNCTEEY-HIFRSBDPSA-N 0 1 389.452 3.273 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000833173689 601027345 /nfs/dbraw/zinc/02/73/45/601027345.db2.gz UZVHOQYWBVYYQD-GOSISDBHSA-N 0 1 386.835 3.481 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736219327 601031332 /nfs/dbraw/zinc/03/13/32/601031332.db2.gz ONZVWGCVPILKGN-JQWIXIFHSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736219327 601031335 /nfs/dbraw/zinc/03/13/35/601031335.db2.gz ONZVWGCVPILKGN-JQWIXIFHSA-N 0 1 395.431 3.212 20 0 GGADMN CCc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000737259847 601031886 /nfs/dbraw/zinc/03/18/86/601031886.db2.gz ZCPJKWCKVNMHEC-PXNSSMCTSA-N 0 1 386.517 3.313 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263574173 601032156 /nfs/dbraw/zinc/03/21/56/601032156.db2.gz NJEXPFHGHZAPPE-RDJZCZTQSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263574173 601032160 /nfs/dbraw/zinc/03/21/60/601032160.db2.gz NJEXPFHGHZAPPE-RDJZCZTQSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263574174 601032602 /nfs/dbraw/zinc/03/26/02/601032602.db2.gz NJEXPFHGHZAPPE-WBVHZDCISA-N 0 1 380.444 3.041 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263574174 601032604 /nfs/dbraw/zinc/03/26/04/601032604.db2.gz NJEXPFHGHZAPPE-WBVHZDCISA-N 0 1 380.444 3.041 20 0 GGADMN CCc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000737259846 601032645 /nfs/dbraw/zinc/03/26/45/601032645.db2.gz ZCPJKWCKVNMHEC-FXAWDEMLSA-N 0 1 386.517 3.313 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000827048050 601034025 /nfs/dbraw/zinc/03/40/25/601034025.db2.gz NCAMYZAJKKFWQN-MQVJKMGUSA-N 0 1 375.469 3.309 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000833133959 601034442 /nfs/dbraw/zinc/03/44/42/601034442.db2.gz BSEJPECDEZSCDH-SFHVURJKSA-N 0 1 399.516 3.225 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH2+][C@](C)(C(=O)[O-])C3CC3)[C@H](c3ccco3)C2)cc1 ZINC000832929451 601034777 /nfs/dbraw/zinc/03/47/77/601034777.db2.gz MPQXZZJZHDNEKW-AVRDEDQJSA-N 0 1 395.459 3.109 20 0 GGADMN O=C(C[N@H+]1CC[C@H](CSc2ccccc2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833104570 601035606 /nfs/dbraw/zinc/03/56/06/601035606.db2.gz COUFURNRTXTZOX-INIZCTEOSA-N 0 1 376.522 3.004 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c(C)c1C(=O)[O-] ZINC000832844445 601037523 /nfs/dbraw/zinc/03/75/23/601037523.db2.gz QGHCOEGMNJZEQP-LLVKDONJSA-N 0 1 398.385 3.134 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c(C)c1C(=O)[O-] ZINC000832844445 601037525 /nfs/dbraw/zinc/03/75/25/601037525.db2.gz QGHCOEGMNJZEQP-LLVKDONJSA-N 0 1 398.385 3.134 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000829624588 601038487 /nfs/dbraw/zinc/03/84/87/601038487.db2.gz ZPXJFGXQKQAPLM-INIZCTEOSA-N 0 1 390.505 3.366 20 0 GGADMN CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000829624588 601038491 /nfs/dbraw/zinc/03/84/91/601038491.db2.gz ZPXJFGXQKQAPLM-INIZCTEOSA-N 0 1 390.505 3.366 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000833103830 601041903 /nfs/dbraw/zinc/04/19/03/601041903.db2.gz IMJCPMOLOSADGN-HXUWFJFHSA-N 0 1 382.460 3.085 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843028 601042034 /nfs/dbraw/zinc/04/20/34/601042034.db2.gz OUIRFONKVGQCEO-AEFFLSMTSA-N 0 1 383.492 3.107 20 0 GGADMN O=C([O-])c1cnc(N(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000740254702 601042158 /nfs/dbraw/zinc/04/21/58/601042158.db2.gz QACHPGNXCALUPP-OAHLLOKOSA-N 0 1 385.489 3.249 20 0 GGADMN Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)sc1C ZINC000832993840 601043449 /nfs/dbraw/zinc/04/34/49/601043449.db2.gz GWWDISYCNFEAAW-UHFFFAOYSA-N 0 1 393.534 3.472 20 0 GGADMN COc1ccc(CCC2CC[NH+](Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826192009 607484737 /nfs/dbraw/zinc/48/47/37/607484737.db2.gz WYBMRNBBFMLVFI-UHFFFAOYSA-N 0 1 378.480 3.115 20 0 GGADMN COc1ccc(CCC2CC[NH+](Cc3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826192009 607484739 /nfs/dbraw/zinc/48/47/39/607484739.db2.gz WYBMRNBBFMLVFI-UHFFFAOYSA-N 0 1 378.480 3.115 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)nc2c1 ZINC000833325103 601044633 /nfs/dbraw/zinc/04/46/33/601044633.db2.gz JRZXRWQSSMUPOK-LPHOPBHVSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccccc3)nc2c1 ZINC000833325103 601044637 /nfs/dbraw/zinc/04/46/37/601044637.db2.gz JRZXRWQSSMUPOK-LPHOPBHVSA-N 0 1 393.443 3.122 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C[N@H+](CC(=O)[O-])C3CCOCC3)cc2)c1 ZINC000579597836 601045077 /nfs/dbraw/zinc/04/50/77/601045077.db2.gz GSHKEVWOCCDKAJ-UHFFFAOYSA-N 0 1 398.459 3.291 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C[N@@H+](CC(=O)[O-])C3CCOCC3)cc2)c1 ZINC000579597836 601045080 /nfs/dbraw/zinc/04/50/80/601045080.db2.gz GSHKEVWOCCDKAJ-UHFFFAOYSA-N 0 1 398.459 3.291 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C1CCOCC1 ZINC000565892785 601046609 /nfs/dbraw/zinc/04/66/09/601046609.db2.gz VETBWRFNCONGPQ-UHFFFAOYSA-N 0 1 396.487 3.172 20 0 GGADMN O=C([O-])C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCOCC1 ZINC000833248885 601046803 /nfs/dbraw/zinc/04/68/03/601046803.db2.gz AZZXIDWSLQPYMG-UHFFFAOYSA-N 0 1 399.472 3.130 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000832915181 601047460 /nfs/dbraw/zinc/04/74/60/601047460.db2.gz HYVOHEFSWAGHBO-GOSISDBHSA-N 0 1 395.503 3.228 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842790 601047565 /nfs/dbraw/zinc/04/75/65/601047565.db2.gz JKNCDHHJLGYTFD-YJBOKZPZSA-N 0 1 397.519 3.497 20 0 GGADMN Cc1[nH]c(C(=O)CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843716 601047821 /nfs/dbraw/zinc/04/78/21/601047821.db2.gz GAKNCCRSINDNJC-OAHLLOKOSA-N 0 1 383.492 3.109 20 0 GGADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H](O)c1c(F)cccc1Cl ZINC000820426840 607485177 /nfs/dbraw/zinc/48/51/77/607485177.db2.gz OETUFLDDYKCSJZ-XXFAHNHDSA-N 0 1 379.798 3.010 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000650506587 601051440 /nfs/dbraw/zinc/05/14/40/601051440.db2.gz RERQXDXAIOVNMN-MRXNPFEDSA-N 0 1 387.505 3.462 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832378346 601053181 /nfs/dbraw/zinc/05/31/81/601053181.db2.gz KDKBHOAJZXIUNM-QMTHXVAHSA-N 0 1 378.425 3.050 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000828753819 601073956 /nfs/dbraw/zinc/07/39/56/601073956.db2.gz XEKQVPNFWFAAHN-SECBINFHSA-N 0 1 390.253 3.138 20 0 GGADMN COc1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1-c1nn[nH]n1 ZINC000826193962 607491036 /nfs/dbraw/zinc/49/10/36/607491036.db2.gz WBJMYUKOAVBRAM-GOSISDBHSA-N 0 1 397.454 3.196 20 0 GGADMN COc1cc(C(=O)[O-])cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1OC ZINC000831903507 601079300 /nfs/dbraw/zinc/07/93/00/601079300.db2.gz MGLKATOJBYTWIR-AWEZNQCLSA-N 0 1 393.484 3.036 20 0 GGADMN COc1cc(C(=O)[O-])cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1OC ZINC000831902791 601085027 /nfs/dbraw/zinc/08/50/27/601085027.db2.gz DGGNNEOAQPCCTC-CYBMUJFWSA-N 0 1 393.484 3.034 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)CN1C[C@@H](c2cccc(F)c2)CC1=O)C(=O)[O-] ZINC000736586246 601090122 /nfs/dbraw/zinc/09/01/22/601090122.db2.gz ZPVWNLWNEMUZBS-APWZRJJASA-N 0 1 384.451 3.322 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585774 601090157 /nfs/dbraw/zinc/09/01/57/601090157.db2.gz VTBRSYRPQYINLS-IAGOWNOFSA-N 0 1 395.459 3.024 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585774 601090160 /nfs/dbraw/zinc/09/01/60/601090160.db2.gz VTBRSYRPQYINLS-IAGOWNOFSA-N 0 1 395.459 3.024 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000738253241 601090668 /nfs/dbraw/zinc/09/06/68/601090668.db2.gz NETOIBMHLLZNFH-CQSZACIVSA-N 0 1 378.270 3.174 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000738253241 601090673 /nfs/dbraw/zinc/09/06/73/601090673.db2.gz NETOIBMHLLZNFH-CQSZACIVSA-N 0 1 378.270 3.174 20 0 GGADMN Cc1ccc2c(Cl)c(C(=O)N3CC[NH+]([C@@H](C)CC(=O)[O-])CC3)sc2c1 ZINC000832962410 601100776 /nfs/dbraw/zinc/10/07/76/601100776.db2.gz XHNIDDQKZVXFLS-LBPRGKRZSA-N 0 1 380.897 3.484 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000736131757 601114574 /nfs/dbraw/zinc/11/45/74/601114574.db2.gz YKZQJVMGLHBSHH-HNNXBMFYSA-N 0 1 389.452 3.021 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000736131757 601114576 /nfs/dbraw/zinc/11/45/76/601114576.db2.gz YKZQJVMGLHBSHH-HNNXBMFYSA-N 0 1 389.452 3.021 20 0 GGADMN CC[C@@H]1C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@@H]1c1ccccc1 ZINC000829151885 601114709 /nfs/dbraw/zinc/11/47/09/601114709.db2.gz UEWVVXOAFWWIOQ-PBHICJAKSA-N 0 1 387.505 3.224 20 0 GGADMN CC[C@@H]1C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@@H]1c1ccccc1 ZINC000829151885 601114711 /nfs/dbraw/zinc/11/47/11/601114711.db2.gz UEWVVXOAFWWIOQ-PBHICJAKSA-N 0 1 387.505 3.224 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000737662745 601115162 /nfs/dbraw/zinc/11/51/62/601115162.db2.gz XTRZBIASTZXCNO-LJQANCHMSA-N 0 1 396.443 3.165 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000737662745 601115164 /nfs/dbraw/zinc/11/51/64/601115164.db2.gz XTRZBIASTZXCNO-LJQANCHMSA-N 0 1 396.443 3.165 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738476566 601116139 /nfs/dbraw/zinc/11/61/39/601116139.db2.gz UPUHGWGIBCPLRS-HXUWFJFHSA-N 0 1 382.460 3.452 20 0 GGADMN C[C@@H]1CC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000828289300 601118196 /nfs/dbraw/zinc/11/81/96/601118196.db2.gz BMOIFTDXTAGDPZ-MJUCBELMSA-N 0 1 378.469 3.100 20 0 GGADMN Cn1cc(C[C@H]2CC[N@@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)cn1 ZINC000833044831 601118537 /nfs/dbraw/zinc/11/85/37/601118537.db2.gz HZDNXAJXBJNBEA-CQSZACIVSA-N 0 1 382.489 3.306 20 0 GGADMN Cn1cc(C[C@H]2CC[N@@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)cn1 ZINC000833045478 601119091 /nfs/dbraw/zinc/11/90/91/601119091.db2.gz WUEGRJVXRZOWGM-CQSZACIVSA-N 0 1 382.489 3.306 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828151642 601119766 /nfs/dbraw/zinc/11/97/66/601119766.db2.gz XKKHEWHGUBXMTD-HOCLYGCPSA-N 0 1 377.444 3.487 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000832916734 601120138 /nfs/dbraw/zinc/12/01/38/601120138.db2.gz MTUINDPPAVQQGW-GOSISDBHSA-N 0 1 395.503 3.228 20 0 GGADMN CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC000737054016 601125226 /nfs/dbraw/zinc/12/52/26/601125226.db2.gz XYRPKIIHGAVRBM-AWEZNQCLSA-N 0 1 391.468 3.246 20 0 GGADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000833011424 601127431 /nfs/dbraw/zinc/12/74/31/601127431.db2.gz VYICIGWQUNSNNJ-MRXNPFEDSA-N 0 1 386.452 3.373 20 0 GGADMN CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830507542 601129379 /nfs/dbraw/zinc/12/93/79/601129379.db2.gz LKTZKXBPYXIVJA-LJQANCHMSA-N 0 1 397.475 3.278 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000829458854 601129491 /nfs/dbraw/zinc/12/94/91/601129491.db2.gz RTFXMPOPSFGWKX-GFCCVEGCSA-N 0 1 385.411 3.182 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828456996 601130266 /nfs/dbraw/zinc/13/02/66/601130266.db2.gz PNMYJZPETZUXMZ-UZLBHIALSA-N 0 1 396.491 3.486 20 0 GGADMN Cc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C(=O)[O-] ZINC000832947459 601144720 /nfs/dbraw/zinc/14/47/20/601144720.db2.gz WKQZBPLZQSDBEI-INIZCTEOSA-N 0 1 397.475 3.236 20 0 GGADMN Cc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C(=O)[O-] ZINC000832947459 601144722 /nfs/dbraw/zinc/14/47/22/601144722.db2.gz WKQZBPLZQSDBEI-INIZCTEOSA-N 0 1 397.475 3.236 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000828717785 601155851 /nfs/dbraw/zinc/15/58/51/601155851.db2.gz KLDVLRNUTNICIT-FPXQBCRKSA-N 0 1 396.553 3.032 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000828717791 601155926 /nfs/dbraw/zinc/15/59/26/601155926.db2.gz KLDVLRNUTNICIT-RCJHGTSTSA-N 0 1 396.553 3.032 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000828717787 601156120 /nfs/dbraw/zinc/15/61/20/601156120.db2.gz KLDVLRNUTNICIT-GGXPGOJBSA-N 0 1 396.553 3.032 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844443 601156659 /nfs/dbraw/zinc/15/66/59/601156659.db2.gz QGCMQDYQQSZJSE-ZIAGYGMSSA-N 0 1 376.478 3.162 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844443 601156661 /nfs/dbraw/zinc/15/66/61/601156661.db2.gz QGCMQDYQQSZJSE-ZIAGYGMSSA-N 0 1 376.478 3.162 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000830907673 601169472 /nfs/dbraw/zinc/16/94/72/601169472.db2.gz OTUSAVRFHRDGJL-FXAWDEMLSA-N 0 1 377.444 3.168 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000830907673 601169473 /nfs/dbraw/zinc/16/94/73/601169473.db2.gz OTUSAVRFHRDGJL-FXAWDEMLSA-N 0 1 377.444 3.168 20 0 GGADMN C/C(=C/C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1)C(=O)[O-] ZINC000825746912 601171048 /nfs/dbraw/zinc/17/10/48/601171048.db2.gz MZBDISRKEHRRBV-NSIKDUERSA-N 0 1 375.469 3.098 20 0 GGADMN C[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)[C@@H]1c1ccccc1 ZINC000828439123 601179021 /nfs/dbraw/zinc/17/90/21/601179021.db2.gz HFQWILWDKIPMGR-LPTQZCDUSA-N 0 1 391.471 3.414 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000831371340 601179486 /nfs/dbraw/zinc/17/94/86/601179486.db2.gz VSXFIKUDDIRPNN-TYILLQQXSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000831371340 601179487 /nfs/dbraw/zinc/17/94/87/601179487.db2.gz VSXFIKUDDIRPNN-TYILLQQXSA-N 0 1 396.443 3.191 20 0 GGADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826793585 601183487 /nfs/dbraw/zinc/18/34/87/601183487.db2.gz PZWCYWDGMJIFRS-KNQAVFIVSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828176743 601196113 /nfs/dbraw/zinc/19/61/13/601196113.db2.gz JVYKUXRBPGNEDL-APWZRJJASA-N 0 1 397.475 3.325 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828177467 601196759 /nfs/dbraw/zinc/19/67/59/601196759.db2.gz RHDRRLHHUQIPAK-QFBILLFUSA-N 0 1 397.475 3.325 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828177468 601196783 /nfs/dbraw/zinc/19/67/83/601196783.db2.gz RHDRRLHHUQIPAK-VQIMIIECSA-N 0 1 397.475 3.325 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000828175958 601213454 /nfs/dbraw/zinc/21/34/54/601213454.db2.gz GBJIMPZIJBQHPO-HRAATJIYSA-N 0 1 393.487 3.463 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000831918490 601221645 /nfs/dbraw/zinc/22/16/45/601221645.db2.gz NJWRIMWCLUEBJT-DLBZAZTESA-N 0 1 391.851 3.234 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000831918490 601221648 /nfs/dbraw/zinc/22/16/48/601221648.db2.gz NJWRIMWCLUEBJT-DLBZAZTESA-N 0 1 391.851 3.234 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000833009059 601235125 /nfs/dbraw/zinc/23/51/25/601235125.db2.gz KMUCWCRBEKMMGK-AWEZNQCLSA-N 0 1 378.432 3.439 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000829613074 601243519 /nfs/dbraw/zinc/24/35/19/601243519.db2.gz GWNIIOATIZMLLH-MRXNPFEDSA-N 0 1 379.526 3.200 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccnc(C(=O)[O-])c3)cc2)C1 ZINC000828161234 601244133 /nfs/dbraw/zinc/24/41/33/601244133.db2.gz NAGKPPMIWORATC-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN CCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000829452448 601245814 /nfs/dbraw/zinc/24/58/14/601245814.db2.gz AXMVJFYSCPLLBN-IBGZPJMESA-N 0 1 381.476 3.297 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000828162225 601248555 /nfs/dbraw/zinc/24/85/55/601248555.db2.gz USEBQBVOMNPMKR-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000832869472 601268030 /nfs/dbraw/zinc/26/80/30/601268030.db2.gz XKQUVJGYEOBJBD-CQSZACIVSA-N 0 1 399.472 3.227 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263307068 601270928 /nfs/dbraw/zinc/27/09/28/601270928.db2.gz XWOUSSCXVAAYLB-OXJNMPFZSA-N 0 1 381.476 3.095 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921977 601283980 /nfs/dbraw/zinc/28/39/80/601283980.db2.gz NIFHDGPULVQSSM-VQTJNVASSA-N 0 1 384.451 3.083 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921977 601283982 /nfs/dbraw/zinc/28/39/82/601283982.db2.gz NIFHDGPULVQSSM-VQTJNVASSA-N 0 1 384.451 3.083 20 0 GGADMN COc1ccc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826193659 607499754 /nfs/dbraw/zinc/49/97/54/607499754.db2.gz KTFSYENAHNFHCR-QEEYODRMSA-N 0 1 379.464 3.226 20 0 GGADMN CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000828790048 601309253 /nfs/dbraw/zinc/30/92/53/601309253.db2.gz LKOPGSFPDYVTPG-HZPDHXFCSA-N 0 1 376.497 3.059 20 0 GGADMN CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000828790047 601309270 /nfs/dbraw/zinc/30/92/70/601309270.db2.gz LKOPGSFPDYVTPG-HOTGVXAUSA-N 0 1 376.497 3.059 20 0 GGADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000833174569 601326447 /nfs/dbraw/zinc/32/64/47/601326447.db2.gz SITVHCXPAWNIKP-NRFANRHFSA-N 0 1 384.451 3.119 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000568067044 601329818 /nfs/dbraw/zinc/32/98/18/601329818.db2.gz KLLVLGWLBJETQF-UHFFFAOYSA-N 0 1 380.435 3.033 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000568067044 601329820 /nfs/dbraw/zinc/32/98/20/601329820.db2.gz KLLVLGWLBJETQF-UHFFFAOYSA-N 0 1 380.435 3.033 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000663124031 601330712 /nfs/dbraw/zinc/33/07/12/601330712.db2.gz WJGAUPQALRPMJL-UHFFFAOYSA-N 0 1 396.487 3.072 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000828455763 601335118 /nfs/dbraw/zinc/33/51/18/601335118.db2.gz GLKORTFYXJGOTA-DYESRHJHSA-N 0 1 395.503 3.437 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828457134 601335138 /nfs/dbraw/zinc/33/51/38/601335138.db2.gz RUWIXBMOTRUXIO-OXJNMPFZSA-N 0 1 397.475 3.182 20 0 GGADMN C[C@H](SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000827902612 601344848 /nfs/dbraw/zinc/34/48/48/601344848.db2.gz NZINPHFUESPPSQ-KRWDZBQOSA-N 0 1 398.528 3.127 20 0 GGADMN O=C([O-])c1cccc(OCc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000833332301 601368514 /nfs/dbraw/zinc/36/85/14/601368514.db2.gz LAXITRZVNRRZNS-KRWDZBQOSA-N 0 1 394.431 3.121 20 0 GGADMN CN(C(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000830479107 601375261 /nfs/dbraw/zinc/37/52/61/601375261.db2.gz ZSWGIXQPFVXDFA-OAQYLSRUSA-N 0 1 396.487 3.110 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000826026927 601379116 /nfs/dbraw/zinc/37/91/16/601379116.db2.gz RQKDQUGEGCEAJG-LBPRGKRZSA-N 0 1 391.468 3.463 20 0 GGADMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000830975486 601379292 /nfs/dbraw/zinc/37/92/92/601379292.db2.gz NQTFXODXXUVQPS-HNNXBMFYSA-N 0 1 391.471 3.414 20 0 GGADMN O=C([O-])c1nn(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c2ccccc21 ZINC000833346617 601402171 /nfs/dbraw/zinc/40/21/71/601402171.db2.gz LYJPQOZHPXNNJP-HNNXBMFYSA-N 0 1 381.407 3.426 20 0 GGADMN O=C([O-])c1nn(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c2ccccc21 ZINC000833346617 601402174 /nfs/dbraw/zinc/40/21/74/601402174.db2.gz LYJPQOZHPXNNJP-HNNXBMFYSA-N 0 1 381.407 3.426 20 0 GGADMN CC[C@H](c1nnc(SC/C=C(/C)C(=O)[O-])n1-c1ccc(OC)cc1)[NH+](C)C ZINC000829033077 601404785 /nfs/dbraw/zinc/40/47/85/601404785.db2.gz IQQCEXPJZGTALN-DVFVSVACSA-N 0 1 390.509 3.412 20 0 GGADMN CC[C@@H](c1nnc(SC/C=C(\C)C(=O)[O-])n1-c1ccc(OC)cc1)[NH+](C)C ZINC000829033076 601405014 /nfs/dbraw/zinc/40/50/14/601405014.db2.gz IQQCEXPJZGTALN-BYIUCRAPSA-N 0 1 390.509 3.412 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000830376561 601411470 /nfs/dbraw/zinc/41/14/70/601411470.db2.gz XRCZFYRMQMAXPY-UHFFFAOYSA-N 0 1 376.428 3.006 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000830355521 601416923 /nfs/dbraw/zinc/41/69/23/601416923.db2.gz OKBFYIIFOIBUSQ-HNNXBMFYSA-N 0 1 378.494 3.107 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000830369375 601421945 /nfs/dbraw/zinc/42/19/45/601421945.db2.gz OJKYIPDSSLJQJM-LBPRGKRZSA-N 0 1 390.402 3.163 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1 ZINC000830368849 601423176 /nfs/dbraw/zinc/42/31/76/601423176.db2.gz DTRYJLMGYVMBMV-HNNXBMFYSA-N 0 1 375.469 3.358 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[C@H]1c1cccs1 ZINC000830927737 601423837 /nfs/dbraw/zinc/42/38/37/601423837.db2.gz CCDSHXBZZVWOHS-HOCLYGCPSA-N 0 1 379.526 3.075 20 0 GGADMN C[C@@]([NH2+]CCOc1ccc(C(=O)[O-])cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000827734015 601423957 /nfs/dbraw/zinc/42/39/57/601423957.db2.gz AOSSEUWTEWTJGK-SFHVURJKSA-N 0 1 397.258 3.061 20 0 GGADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000565845071 601430225 /nfs/dbraw/zinc/43/02/25/601430225.db2.gz KLAWTLGEBDDWJN-PKOBYXMFSA-N 0 1 379.522 3.206 20 0 GGADMN Cc1nc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)sc1C(=O)[O-] ZINC000833003777 601436370 /nfs/dbraw/zinc/43/63/70/601436370.db2.gz NPPIHMMJSAJYKX-ZDUSSCGKSA-N 0 1 377.441 3.140 20 0 GGADMN O=C([O-])C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCO1 ZINC000575412465 601454151 /nfs/dbraw/zinc/45/41/51/601454151.db2.gz AIXSVQBDBMIBDC-FQEVSTJZSA-N 0 1 377.444 3.215 20 0 GGADMN O=C([O-])C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCO1 ZINC000575412465 601454153 /nfs/dbraw/zinc/45/41/53/601454153.db2.gz AIXSVQBDBMIBDC-FQEVSTJZSA-N 0 1 377.444 3.215 20 0 GGADMN CN(Cc1ccc(C(=O)OC(C)(C)C)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825966270 607511869 /nfs/dbraw/zinc/51/18/69/607511869.db2.gz VURSAHDKZLMFCG-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000831586413 601488912 /nfs/dbraw/zinc/48/89/12/601488912.db2.gz WKQMVQISCDQVKA-IBGZPJMESA-N 0 1 391.493 3.106 20 0 GGADMN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000831584484 601490813 /nfs/dbraw/zinc/49/08/13/601490813.db2.gz GHDVLGQFSNHBLB-MRXNPFEDSA-N 0 1 383.242 3.074 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccsc3C(=O)[O-])CC2)cs1 ZINC000831501964 601493088 /nfs/dbraw/zinc/49/30/88/601493088.db2.gz ZTKDPGZZKHDPAX-ZDUSSCGKSA-N 0 1 395.550 3.318 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccsc3C(=O)[O-])CC2)cs1 ZINC000831501963 601493273 /nfs/dbraw/zinc/49/32/73/601493273.db2.gz ZTKDPGZZKHDPAX-CYBMUJFWSA-N 0 1 395.550 3.318 20 0 GGADMN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)no1 ZINC000833229344 601493429 /nfs/dbraw/zinc/49/34/29/601493429.db2.gz CBMQQOBNNXNWHW-QZTJIDSGSA-N 0 1 387.480 3.345 20 0 GGADMN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)no1 ZINC000833229344 601493430 /nfs/dbraw/zinc/49/34/30/601493430.db2.gz CBMQQOBNNXNWHW-QZTJIDSGSA-N 0 1 387.480 3.345 20 0 GGADMN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)no1 ZINC000833229346 601493500 /nfs/dbraw/zinc/49/35/00/601493500.db2.gz CBMQQOBNNXNWHW-ZWKOTPCHSA-N 0 1 387.480 3.345 20 0 GGADMN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)no1 ZINC000833229346 601493502 /nfs/dbraw/zinc/49/35/02/601493502.db2.gz CBMQQOBNNXNWHW-ZWKOTPCHSA-N 0 1 387.480 3.345 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832258212 601507312 /nfs/dbraw/zinc/50/73/12/601507312.db2.gz HAZQACMXIDMQMG-KNBMTAEXSA-N 0 1 382.460 3.336 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421574 601522232 /nfs/dbraw/zinc/52/22/32/601522232.db2.gz HJFUETOQBHHYNU-GUXCAODWSA-N 0 1 382.460 3.245 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263306798 601522371 /nfs/dbraw/zinc/52/23/71/601522371.db2.gz HJFUETOQBHHYNU-JXXFODFXSA-N 0 1 382.460 3.245 20 0 GGADMN CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000830238276 601526003 /nfs/dbraw/zinc/52/60/03/601526003.db2.gz QSBBTILCABYRNN-NQYLQCIDSA-N 0 1 386.517 3.169 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828420351 601527025 /nfs/dbraw/zinc/52/70/25/601527025.db2.gz CHCMNWUTDHGMOD-YWVKMMECSA-N 0 1 378.778 3.338 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421444 601529627 /nfs/dbraw/zinc/52/96/27/601529627.db2.gz FSORZJDXVRJCOV-IJEWVQPXSA-N 0 1 388.464 3.098 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422737 601534059 /nfs/dbraw/zinc/53/40/59/601534059.db2.gz JBOYREHHUQQPQR-YWVKMMECSA-N 0 1 378.778 3.338 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000833107435 601541970 /nfs/dbraw/zinc/54/19/70/601541970.db2.gz VVRCCTOIXDOFAY-WMZOPIPTSA-N 0 1 388.512 3.292 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000833107435 601541971 /nfs/dbraw/zinc/54/19/71/601541971.db2.gz VVRCCTOIXDOFAY-WMZOPIPTSA-N 0 1 388.512 3.292 20 0 GGADMN O[C@H](C[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502342 607513121 /nfs/dbraw/zinc/51/31/21/607513121.db2.gz BJZZPBIZCGFESB-GOSISDBHSA-N 0 1 392.488 3.059 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502342 607513124 /nfs/dbraw/zinc/51/31/24/607513124.db2.gz BJZZPBIZCGFESB-GOSISDBHSA-N 0 1 392.488 3.059 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000833196084 601545805 /nfs/dbraw/zinc/54/58/05/601545805.db2.gz XCMXWPZLTBSCDN-KRWDZBQOSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000833196084 601545807 /nfs/dbraw/zinc/54/58/07/601545807.db2.gz XCMXWPZLTBSCDN-KRWDZBQOSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130867 601546698 /nfs/dbraw/zinc/54/66/98/601546698.db2.gz ZYHFZNZJIAIPEJ-XLIONFOSSA-N 0 1 378.428 3.453 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000833195885 601548878 /nfs/dbraw/zinc/54/88/78/601548878.db2.gz SUAYOYZAAVQQCT-IAGOWNOFSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000833195889 601548982 /nfs/dbraw/zinc/54/89/82/601548982.db2.gz SUAYOYZAAVQQCT-SJORKVTESA-N 0 1 376.250 3.167 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826502167 607513515 /nfs/dbraw/zinc/51/35/15/607513515.db2.gz XIGYVYPRBZVMDX-UYAOXDASSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826502167 607513517 /nfs/dbraw/zinc/51/35/17/607513517.db2.gz XIGYVYPRBZVMDX-UYAOXDASSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502167 607513519 /nfs/dbraw/zinc/51/35/19/607513519.db2.gz XIGYVYPRBZVMDX-UYAOXDASSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502167 607513521 /nfs/dbraw/zinc/51/35/21/607513521.db2.gz XIGYVYPRBZVMDX-UYAOXDASSA-N 0 1 378.480 3.130 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000832982491 601551179 /nfs/dbraw/zinc/55/11/79/601551179.db2.gz UUDWKOONWDAKAQ-OZROYSPXSA-N 0 1 383.488 3.114 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826502119 607513743 /nfs/dbraw/zinc/51/37/43/607513743.db2.gz VCSIQHUOCQGVNQ-DOTOQJQBSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826502119 607513745 /nfs/dbraw/zinc/51/37/45/607513745.db2.gz VCSIQHUOCQGVNQ-DOTOQJQBSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502119 607513746 /nfs/dbraw/zinc/51/37/46/607513746.db2.gz VCSIQHUOCQGVNQ-DOTOQJQBSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502119 607513748 /nfs/dbraw/zinc/51/37/48/607513748.db2.gz VCSIQHUOCQGVNQ-DOTOQJQBSA-N 0 1 384.509 3.192 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832861961 601562896 /nfs/dbraw/zinc/56/28/96/601562896.db2.gz PXFUUSHDKRFLEC-GOSISDBHSA-N 0 1 396.487 3.113 20 0 GGADMN Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832861961 601562898 /nfs/dbraw/zinc/56/28/98/601562898.db2.gz PXFUUSHDKRFLEC-GOSISDBHSA-N 0 1 396.487 3.113 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](Nc3nc(Cl)c(C(=O)[O-])s3)C2)cc(OC)c1 ZINC000831995754 601563014 /nfs/dbraw/zinc/56/30/14/601563014.db2.gz NVIAVNWCUONCMS-NSHDSACASA-N 0 1 397.884 3.198 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000825977706 601563466 /nfs/dbraw/zinc/56/34/66/601563466.db2.gz MUQILZWYHYWMNT-OAHLLOKOSA-N 0 1 382.460 3.016 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000825977706 601563468 /nfs/dbraw/zinc/56/34/68/601563468.db2.gz MUQILZWYHYWMNT-OAHLLOKOSA-N 0 1 382.460 3.016 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000830908432 601563811 /nfs/dbraw/zinc/56/38/11/601563811.db2.gz VPBXHVJUBLWIFN-GHTZIAJQSA-N 0 1 391.471 3.038 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000830908433 601563885 /nfs/dbraw/zinc/56/38/85/601563885.db2.gz VPBXHVJUBLWIFN-NQIIRXRSSA-N 0 1 391.471 3.038 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000833196318 601564050 /nfs/dbraw/zinc/56/40/50/601564050.db2.gz QUAZJHYFNNSARY-NDENLUEZSA-N 0 1 398.484 3.196 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000833196413 601568855 /nfs/dbraw/zinc/56/88/55/601568855.db2.gz SYHZTCCTOWPIEH-JIHKLPAASA-N 0 1 378.469 3.244 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000833104942 601584302 /nfs/dbraw/zinc/58/43/02/601584302.db2.gz HADLOWLKVAKURE-GOSISDBHSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000833104942 601584304 /nfs/dbraw/zinc/58/43/04/601584304.db2.gz HADLOWLKVAKURE-GOSISDBHSA-N 0 1 382.460 3.047 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000832916778 601585549 /nfs/dbraw/zinc/58/55/49/601585549.db2.gz RNZSKMSJZPAVGI-FQEVSTJZSA-N 0 1 396.487 3.355 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000832916778 601585550 /nfs/dbraw/zinc/58/55/50/601585550.db2.gz RNZSKMSJZPAVGI-FQEVSTJZSA-N 0 1 396.487 3.355 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000832916781 601585569 /nfs/dbraw/zinc/58/55/69/601585569.db2.gz RNZSKMSJZPAVGI-HXUWFJFHSA-N 0 1 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CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C)c(C(=O)[O-])o3)CC2)cs1 ZINC000831501035 601611267 /nfs/dbraw/zinc/61/12/67/601611267.db2.gz NAHJCGATDIBXKJ-CQSZACIVSA-N 0 1 393.509 3.158 20 0 GGADMN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C(=O)[O-])sc1C ZINC000829623893 601614014 /nfs/dbraw/zinc/61/40/14/601614014.db2.gz FOGTWJWJCSCXKT-UHFFFAOYSA-N 0 1 389.477 3.174 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C(=O)[O-])sc1C ZINC000829623893 601614017 /nfs/dbraw/zinc/61/40/17/601614017.db2.gz FOGTWJWJCSCXKT-UHFFFAOYSA-N 0 1 389.477 3.174 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1 ZINC000833232214 601623773 /nfs/dbraw/zinc/62/37/73/601623773.db2.gz XBUXWNYCBXFRDY-UHFFFAOYSA-N 0 1 385.445 3.319 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1 ZINC000833232214 601623774 /nfs/dbraw/zinc/62/37/74/601623774.db2.gz XBUXWNYCBXFRDY-UHFFFAOYSA-N 0 1 385.445 3.319 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000833009505 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WFHYIWIJNPMVSR-JTDSTZFVSA-N 0 1 376.497 3.059 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000829643102 601644123 /nfs/dbraw/zinc/64/41/23/601644123.db2.gz SYGBTNBSOYQTEN-LBPRGKRZSA-N 0 1 392.443 3.378 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)o1 ZINC000827139009 601646765 /nfs/dbraw/zinc/64/67/65/601646765.db2.gz BKAUERCIAXNQKE-HNNXBMFYSA-N 0 1 375.444 3.342 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000833032861 601649397 /nfs/dbraw/zinc/64/93/97/601649397.db2.gz OXELNWCQBHICTL-UHFFFAOYSA-N 0 1 390.480 3.171 20 0 GGADMN CC1([N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000824831473 607519191 /nfs/dbraw/zinc/51/91/91/607519191.db2.gz OOJPCOPGNWVBHZ-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN CC1([N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000824831473 607519192 /nfs/dbraw/zinc/51/91/92/607519192.db2.gz OOJPCOPGNWVBHZ-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN CC1([N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000824831473 607519193 /nfs/dbraw/zinc/51/91/93/607519193.db2.gz OOJPCOPGNWVBHZ-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN CC1([N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000824831473 607519194 /nfs/dbraw/zinc/51/91/94/607519194.db2.gz OOJPCOPGNWVBHZ-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000833106802 601662382 /nfs/dbraw/zinc/66/23/82/601662382.db2.gz WFMLCAZQCSAKRA-YGRLFVJLSA-N 0 1 387.263 3.131 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000833106802 601662384 /nfs/dbraw/zinc/66/23/84/601662384.db2.gz WFMLCAZQCSAKRA-YGRLFVJLSA-N 0 1 387.263 3.131 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832862731 601675440 /nfs/dbraw/zinc/67/54/40/601675440.db2.gz DMQDTGDZBACMBJ-HXUWFJFHSA-N 0 1 396.487 3.161 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000829613732 601678710 /nfs/dbraw/zinc/67/87/10/601678710.db2.gz QMYROWZOTPKRMJ-UHFFFAOYSA-N 0 1 384.476 3.149 20 0 GGADMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832864954 601678856 /nfs/dbraw/zinc/67/88/56/601678856.db2.gz YHJAROZJLLXPOX-UHFFFAOYSA-N 0 1 393.443 3.191 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CCCCC1 ZINC000830859383 601685963 /nfs/dbraw/zinc/68/59/63/601685963.db2.gz GZAJOLMPPWBRHM-GOSISDBHSA-N 0 1 389.496 3.159 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000832829060 601693500 /nfs/dbraw/zinc/69/35/00/601693500.db2.gz WVJYZKSVCGSSOX-CYBMUJFWSA-N 0 1 389.402 3.401 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000832829060 601693501 /nfs/dbraw/zinc/69/35/01/601693501.db2.gz WVJYZKSVCGSSOX-CYBMUJFWSA-N 0 1 389.402 3.401 20 0 GGADMN CCSc1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000830168698 601727621 /nfs/dbraw/zinc/72/76/21/601727621.db2.gz 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3.017 20 0 GGADMN COc1cccc([C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832528408 601730620 /nfs/dbraw/zinc/73/06/20/601730620.db2.gz KGMBNTTXQGLZET-UZUQRXQVSA-N 0 1 396.487 3.034 20 0 GGADMN Cc1cccc(CCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832967602 601731362 /nfs/dbraw/zinc/73/13/62/601731362.db2.gz IDPXQFRDQGFFLK-QHCPKHFHSA-N 0 1 380.488 3.163 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Cc2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116694 601731525 /nfs/dbraw/zinc/73/15/25/601731525.db2.gz ADYILLIOKWGFLJ-NRFANRHFSA-N 0 1 386.879 3.118 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cc(Cl)c(Cl)[nH]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128958 601731534 /nfs/dbraw/zinc/73/15/34/601731534.db2.gz PVWWJOLWLFWCGO-GOSISDBHSA-N 0 1 396.274 3.171 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2ccc3ncsc3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129261 601731656 /nfs/dbraw/zinc/73/16/56/601731656.db2.gz YPSWZFHKEIURRR-OAQYLSRUSA-N 0 1 395.484 3.146 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2coc3ccccc23)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129275 601731739 /nfs/dbraw/zinc/73/17/39/601731739.db2.gz ZBWGBSXGRZBFAN-JOCHJYFZSA-N 0 1 378.428 3.282 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cc3ccsc3[nH]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128857 601731918 /nfs/dbraw/zinc/73/19/18/601731918.db2.gz OIIXRIZBVQLDAW-HXUWFJFHSA-N 0 1 383.473 3.079 20 0 GGADMN CC(C)Oc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000827042650 601732359 /nfs/dbraw/zinc/73/23/59/601732359.db2.gz UXPOKATXIFEASN-QHCPKHFHSA-N 0 1 396.487 3.323 20 0 GGADMN Cn1ccc2c1cccc2C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833055399 601732873 /nfs/dbraw/zinc/73/28/73/601732873.db2.gz LUCAFLHXLWAIBG-QHCPKHFHSA-N 0 1 391.471 3.028 20 0 GGADMN O=C(CCCOc1ccccc1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833098332 601733180 /nfs/dbraw/zinc/73/31/80/601733180.db2.gz PAEJQQSDUDHSSX-QHCPKHFHSA-N 0 1 396.487 3.081 20 0 GGADMN O=C(CCCOc1ccccc1)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 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ZINC000833348136 601829551 /nfs/dbraw/zinc/82/95/51/601829551.db2.gz AZAGSOWASPDYOP-MRXNPFEDSA-N 0 1 386.473 3.374 20 0 GGADMN CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)cs1 ZINC000829900777 601834545 /nfs/dbraw/zinc/83/45/45/601834545.db2.gz FJKPOYHFSMZPNW-ZDUSSCGKSA-N 0 1 395.550 3.318 20 0 GGADMN O=C([O-])CCC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000833224560 601841896 /nfs/dbraw/zinc/84/18/96/601841896.db2.gz ZMAMGNMNXOZQPL-QGZVFWFLSA-N 0 1 399.447 3.127 20 0 GGADMN O=C([O-])CCC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000662219352 601841958 /nfs/dbraw/zinc/84/19/58/601841958.db2.gz TYZBFRJYHPTRCC-UHFFFAOYSA-N 0 1 390.814 3.457 20 0 GGADMN C[C@H]1CCN(C(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)c2ccccc2S1 ZINC000662218648 601842186 /nfs/dbraw/zinc/84/21/86/601842186.db2.gz QHOBBVLKXJFLSG-HNNXBMFYSA-N 0 1 376.522 3.481 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000825977945 601843636 /nfs/dbraw/zinc/84/36/36/601843636.db2.gz 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Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])CC2)cs1 ZINC000833000643 602050561 /nfs/dbraw/zinc/05/05/61/602050561.db2.gz GLAKXSQPERTOBN-MSOLQXFVSA-N 0 1 393.553 3.203 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)COc1ccc(C(=O)[O-])cc1)CCC2 ZINC000566360730 602053944 /nfs/dbraw/zinc/05/39/44/602053944.db2.gz AFUUAPRGEMMQSP-YOEHRIQHSA-N 0 1 390.505 3.153 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(N4CCCCC4=O)CC3)cs2)cc1 ZINC000833307291 602057763 /nfs/dbraw/zinc/05/77/63/602057763.db2.gz DPGSRCGUMMDAGI-UHFFFAOYSA-N 0 1 399.516 3.485 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)C1 ZINC000262979380 602058404 /nfs/dbraw/zinc/05/84/04/602058404.db2.gz KSTZCLGAKOANTE-JKSBSHDWSA-N 0 1 387.524 3.171 20 0 GGADMN COc1ccc(CSc2n[nH]c(CCC3CCCC3)n2)cc1-c1nn[nH]n1 ZINC000826207959 607542132 /nfs/dbraw/zinc/54/21/32/607542132.db2.gz MJMVCXSGMSGMKZ-UHFFFAOYSA-N 0 1 385.497 3.409 20 0 GGADMN COc1ccc(CSc2nc(CCC3CCCC3)n[nH]2)cc1-c1nn[nH]n1 ZINC000826207959 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IHXCYWQNOXDDLN-KRWDZBQOSA-N 0 1 383.448 3.180 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000830929288 602110826 /nfs/dbraw/zinc/11/08/26/602110826.db2.gz XFGRKHUQRPPKHV-KRWDZBQOSA-N 0 1 397.475 3.427 20 0 GGADMN C[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000830941197 602112653 /nfs/dbraw/zinc/11/26/53/602112653.db2.gz UQBSIPIOJMGOQA-KRWDZBQOSA-N 0 1 383.448 3.180 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829770823 602120913 /nfs/dbraw/zinc/12/09/13/602120913.db2.gz NOFVDVCJHIGWGT-CQSZACIVSA-N 0 1 387.505 3.074 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000263376485 602144985 /nfs/dbraw/zinc/14/49/85/602144985.db2.gz BZTGKMYFLWBNKA-IVMQYODDSA-N 0 1 379.545 3.316 20 0 GGADMN COc1cc(OC)cc([C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C(=O)[O-])c1 ZINC000832050277 602166710 /nfs/dbraw/zinc/16/67/10/602166710.db2.gz NPYORRQUIWKKKQ-JOCHJYFZSA-N 0 1 398.503 3.126 20 0 GGADMN COc1cc(OC)cc([C@H](NCc2cccc(C[NH+]3CCCC3)c2)C(=O)[O-])c1 ZINC000832057475 602167404 /nfs/dbraw/zinc/16/74/04/602167404.db2.gz OYMAVMBDDVPKBL-NRFANRHFSA-N 0 1 384.476 3.215 20 0 GGADMN COc1cc(OC)cc([C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057962 602169839 /nfs/dbraw/zinc/16/98/39/602169839.db2.gz TVKARNAOXFFFHA-PGRDOPGGSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057962 602169841 /nfs/dbraw/zinc/16/98/41/602169841.db2.gz TVKARNAOXFFFHA-PGRDOPGGSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057962 602169846 /nfs/dbraw/zinc/16/98/46/602169846.db2.gz TVKARNAOXFFFHA-PGRDOPGGSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057956 602170143 /nfs/dbraw/zinc/17/01/43/602170143.db2.gz TVKARNAOXFFFHA-AVRDEDQJSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057956 602170147 /nfs/dbraw/zinc/17/01/47/602170147.db2.gz TVKARNAOXFFFHA-AVRDEDQJSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057956 602170149 /nfs/dbraw/zinc/17/01/49/602170149.db2.gz TVKARNAOXFFFHA-AVRDEDQJSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[O-])c1 ZINC000832049409 602175657 /nfs/dbraw/zinc/17/56/57/602175657.db2.gz HUJWPSYHXVQRMG-PERKRYKHSA-N 0 1 398.503 3.472 20 0 GGADMN COc1cc(OC)cc([C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[O-])c1 ZINC000832049409 602175660 /nfs/dbraw/zinc/17/56/60/602175660.db2.gz HUJWPSYHXVQRMG-PERKRYKHSA-N 0 1 398.503 3.472 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000833222889 602195978 /nfs/dbraw/zinc/19/59/78/602195978.db2.gz FWFQLQWYLLBMDW-AWEZNQCLSA-N 0 1 396.310 3.162 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000833222889 602195980 /nfs/dbraw/zinc/19/59/80/602195980.db2.gz FWFQLQWYLLBMDW-AWEZNQCLSA-N 0 1 396.310 3.162 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000515855869 602199802 /nfs/dbraw/zinc/19/98/02/602199802.db2.gz LSLYXUQOQXSMAC-INIZCTEOSA-N 0 1 388.851 3.148 20 0 GGADMN CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828971607 602210786 /nfs/dbraw/zinc/21/07/86/602210786.db2.gz RQFDNMCXWCVOOM-VQTJNVASSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828971607 602210790 /nfs/dbraw/zinc/21/07/90/602210790.db2.gz RQFDNMCXWCVOOM-VQTJNVASSA-N 0 1 397.475 3.186 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829765399 602221113 /nfs/dbraw/zinc/22/11/13/602221113.db2.gz SREJICJAMHCITJ-HNNXBMFYSA-N 0 1 385.464 3.251 20 0 GGADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830941379 602222368 /nfs/dbraw/zinc/22/23/68/602222368.db2.gz YJZYAUSNZUPVQZ-RBUKOAKNSA-N 0 1 397.475 3.394 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc12 ZINC000833257072 602223523 /nfs/dbraw/zinc/22/35/23/602223523.db2.gz MAXBNZFFZXHMAL-QZTJIDSGSA-N 0 1 383.448 3.052 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)c1ccco1 ZINC000830581226 602224668 /nfs/dbraw/zinc/22/46/68/602224668.db2.gz NJMUPEBDAYUWTH-KRWDZBQOSA-N 0 1 397.431 3.321 20 0 GGADMN Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833011407 602226470 /nfs/dbraw/zinc/22/64/70/602226470.db2.gz VLURJRLKJNNEIY-UHFFFAOYSA-N 0 1 382.420 3.020 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C)[C@H](c3ccco3)C2)cc1 ZINC000832928703 602226717 /nfs/dbraw/zinc/22/67/17/602226717.db2.gz GTJDAJDJXQNETG-FXAWDEMLSA-N 0 1 397.475 3.355 20 0 GGADMN COc1cc(OC)cc(N2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000832088916 602242018 /nfs/dbraw/zinc/24/20/18/602242018.db2.gz XLFSLWMLNXOHDY-FQEVSTJZSA-N 0 1 388.439 3.181 20 0 GGADMN C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828527369 602242483 /nfs/dbraw/zinc/24/24/83/602242483.db2.gz JIGWWQAZQQAOQH-SWLSCSKDSA-N 0 1 377.387 3.022 20 0 GGADMN C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828527369 602242486 /nfs/dbraw/zinc/24/24/86/602242486.db2.gz JIGWWQAZQQAOQH-SWLSCSKDSA-N 0 1 377.387 3.022 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000829389202 602278606 /nfs/dbraw/zinc/27/86/06/602278606.db2.gz FTANAZATEPXVSQ-UHFFFAOYSA-N 0 1 390.528 3.250 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000263302319 602296921 /nfs/dbraw/zinc/29/69/21/602296921.db2.gz XAGUEOMIGWQZPR-NRFANRHFSA-N 0 1 375.513 3.315 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000832909200 602334146 /nfs/dbraw/zinc/33/41/46/602334146.db2.gz KDIVQYXGEODQLQ-UHFFFAOYSA-N 0 1 384.480 3.065 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000832909200 602334148 /nfs/dbraw/zinc/33/41/48/602334148.db2.gz KDIVQYXGEODQLQ-UHFFFAOYSA-N 0 1 384.480 3.065 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)C[N@H+](CC(=O)[O-])C3CCCC3)ccc2c1 ZINC000832504206 602337512 /nfs/dbraw/zinc/33/75/12/602337512.db2.gz HIWUBJCAMSHXKB-UHFFFAOYSA-N 0 1 384.476 3.136 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)C[N@@H+](CC(=O)[O-])C3CCCC3)ccc2c1 ZINC000832504206 602337514 /nfs/dbraw/zinc/33/75/14/602337514.db2.gz HIWUBJCAMSHXKB-UHFFFAOYSA-N 0 1 384.476 3.136 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000833107150 602346617 /nfs/dbraw/zinc/34/66/17/602346617.db2.gz YWYFCTJQWZMSOH-UKRRQHHQSA-N 0 1 392.477 3.346 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000833107150 602346619 /nfs/dbraw/zinc/34/66/19/602346619.db2.gz YWYFCTJQWZMSOH-UKRRQHHQSA-N 0 1 392.477 3.346 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000833107152 602346669 /nfs/dbraw/zinc/34/66/69/602346669.db2.gz YWYFCTJQWZMSOH-ZFWWWQNUSA-N 0 1 392.477 3.346 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000833107152 602346673 /nfs/dbraw/zinc/34/66/73/602346673.db2.gz YWYFCTJQWZMSOH-ZFWWWQNUSA-N 0 1 392.477 3.346 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(Cl)cc1Cl ZINC000827729293 602349532 /nfs/dbraw/zinc/34/95/32/602349532.db2.gz ZOHVLLQCEOUXJV-QMMMGPOBSA-N 0 1 388.276 3.366 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(Cl)cc1Cl ZINC000827729292 602349887 /nfs/dbraw/zinc/34/98/87/602349887.db2.gz ZOHVLLQCEOUXJV-MRVPVSSYSA-N 0 1 388.276 3.366 20 0 GGADMN Cn1cc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000830856035 602360891 /nfs/dbraw/zinc/36/08/91/602360891.db2.gz HBIILUYOICRWGZ-UHFFFAOYSA-N 0 1 384.480 3.099 20 0 GGADMN CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830500696 602365316 /nfs/dbraw/zinc/36/53/16/602365316.db2.gz VNVKXPFXENKKNP-LJQANCHMSA-N 0 1 382.464 3.192 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828257949 602374822 /nfs/dbraw/zinc/37/48/22/602374822.db2.gz NFWBTPVJVRTNRP-OAHLLOKOSA-N 0 1 384.480 3.419 20 0 GGADMN O=C([O-])NCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000739965455 602687701 /nfs/dbraw/zinc/68/77/01/602687701.db2.gz VMWRNEQEBCFLBC-UHFFFAOYSA-N 0 1 388.295 3.122 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2F)s1 ZINC000824135468 607662642 /nfs/dbraw/zinc/66/26/42/607662642.db2.gz FMNSGQCNOYTULO-UHFFFAOYSA-N 0 1 381.458 3.166 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829765142 604312814 /nfs/dbraw/zinc/31/28/14/604312814.db2.gz KBJQMSWYNFGUQH-QGZVFWFLSA-N 0 1 385.439 3.046 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000738165399 604321133 /nfs/dbraw/zinc/32/11/33/604321133.db2.gz AUMKWEHLVFBYKV-SUMWQHHRSA-N 0 1 375.494 3.204 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000827047812 604328323 /nfs/dbraw/zinc/32/83/23/604328323.db2.gz KWHKCPNQDUSKKB-NVXWUHKLSA-N 0 1 375.469 3.120 20 0 GGADMN Cn1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833047321 604355984 /nfs/dbraw/zinc/35/59/84/604355984.db2.gz LRVHMLQWKKXVMW-HKUYNNGSSA-N 0 1 396.491 3.242 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826793457 604356258 /nfs/dbraw/zinc/35/62/58/604356258.db2.gz MWCGBJDZQZZKGG-SLFFLAALSA-N 0 1 387.524 3.182 20 0 GGADMN Cn1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833047327 604356477 /nfs/dbraw/zinc/35/64/77/604356477.db2.gz LRVHMLQWKKXVMW-PKOBYXMFSA-N 0 1 396.491 3.242 20 0 GGADMN Cn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833047323 604356529 /nfs/dbraw/zinc/35/65/29/604356529.db2.gz LRVHMLQWKKXVMW-IEBWSBKVSA-N 0 1 396.491 3.242 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000833186683 604357636 /nfs/dbraw/zinc/35/76/36/604357636.db2.gz TULFDVSCTNGVLG-WOZUAGRISA-N 0 1 384.520 3.391 20 0 GGADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000826250191 607688603 /nfs/dbraw/zinc/68/86/03/607688603.db2.gz ORSQQDKMXMCEIW-UHFFFAOYSA-N 0 1 396.414 3.366 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000827022414 604402088 /nfs/dbraw/zinc/40/20/88/604402088.db2.gz VJGNGDBWMBXYOB-GFCCVEGCSA-N 0 1 396.228 3.361 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(C(=O)[O-])sc1C)CC2 ZINC000570855390 604423912 /nfs/dbraw/zinc/42/39/12/604423912.db2.gz UMEWXKBTXHHLAS-UHFFFAOYSA-N 0 1 391.489 3.381 20 0 GGADMN COC(=O)c1ccc2c(c1)CN([C@@H](C)CC[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831449382 604437268 /nfs/dbraw/zinc/43/72/68/604437268.db2.gz SAGNJURARMGGQW-HNNXBMFYSA-N 0 1 394.471 3.281 20 0 GGADMN COC(=O)c1ccc2c(c1)CN([C@H](C)CC[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831449383 604437293 /nfs/dbraw/zinc/43/72/93/604437293.db2.gz SAGNJURARMGGQW-OAHLLOKOSA-N 0 1 394.471 3.281 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826095643 604454829 /nfs/dbraw/zinc/45/48/29/604454829.db2.gz MLYJVIMJNMIFAV-UXHICEINSA-N 0 1 395.503 3.412 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1(C(=O)[O-])CCCC1 ZINC000830681722 604455508 /nfs/dbraw/zinc/45/55/08/604455508.db2.gz DLYLRLWCABPEDZ-UHFFFAOYSA-N 0 1 388.464 3.386 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1(C(=O)[O-])CCCC1 ZINC000830681722 604455510 /nfs/dbraw/zinc/45/55/10/604455510.db2.gz DLYLRLWCABPEDZ-UHFFFAOYSA-N 0 1 388.464 3.386 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828257610 604456605 /nfs/dbraw/zinc/45/66/05/604456605.db2.gz GOWZQRRGDOFEGX-SJLPKXTDSA-N 0 1 375.513 3.402 20 0 GGADMN COc1ccc(NC(=O)CC[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000832394226 604457343 /nfs/dbraw/zinc/45/73/43/604457343.db2.gz OHTRFPPCQUWBEL-KCXAZCMYSA-N 0 1 380.872 3.395 20 0 GGADMN C[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000566749809 604458784 /nfs/dbraw/zinc/45/87/84/604458784.db2.gz ZDSBYVYZFANWTQ-FQEVSTJZSA-N 0 1 383.488 3.483 20 0 GGADMN C[C@H](Cc1ccncc1)Nc1nc[nH+]c(N[C@@H](C)Cc2ccncc2)c1C(=O)[O-] ZINC000827597464 604459462 /nfs/dbraw/zinc/45/94/62/604459462.db2.gz SWUMTFVZHRAZHW-GASCZTMLSA-N 0 1 392.463 3.051 20 0 GGADMN C[C@H](Cc1ccncc1)Nc1[nH+]cnc(N[C@@H](C)Cc2ccncc2)c1C(=O)[O-] ZINC000827597464 604459467 /nfs/dbraw/zinc/45/94/67/604459467.db2.gz SWUMTFVZHRAZHW-GASCZTMLSA-N 0 1 392.463 3.051 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000319429426 604460656 /nfs/dbraw/zinc/46/06/56/604460656.db2.gz FSCODMVPFXHMEU-UHFFFAOYSA-N 0 1 389.677 3.370 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000319429426 604460662 /nfs/dbraw/zinc/46/06/62/604460662.db2.gz FSCODMVPFXHMEU-UHFFFAOYSA-N 0 1 389.677 3.370 20 0 GGADMN C[C@@H](NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000827629331 604463374 /nfs/dbraw/zinc/46/33/74/604463374.db2.gz BHDYQTHSPLUKOT-GFCCVEGCSA-N 0 1 388.386 3.092 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000827629331 604463376 /nfs/dbraw/zinc/46/33/76/604463376.db2.gz BHDYQTHSPLUKOT-GFCCVEGCSA-N 0 1 388.386 3.092 20 0 GGADMN Cc1ccc(NCCCNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[nH+]c1 ZINC000832952256 604463760 /nfs/dbraw/zinc/46/37/60/604463760.db2.gz VVHNCWWTDLFKHE-GOSISDBHSA-N 0 1 384.480 3.343 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414626778 604463986 /nfs/dbraw/zinc/46/39/86/604463986.db2.gz MEFJYKGAXZCXKF-VQTJNVASSA-N 0 1 387.524 3.328 20 0 GGADMN CCc1csc([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(C(=O)OC)c3)C2)n1 ZINC000833676806 604473734 /nfs/dbraw/zinc/47/37/34/604473734.db2.gz TZRDTUOJYAXNGI-NVXWUHKLSA-N 0 1 388.489 3.497 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000833701581 604476426 /nfs/dbraw/zinc/47/64/26/604476426.db2.gz KXZHWVZQTVIBLS-UWVAXJGDSA-N 0 1 388.508 3.185 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000833701582 604476745 /nfs/dbraw/zinc/47/67/45/604476745.db2.gz KXZHWVZQTVIBLS-ZWOKBUDYSA-N 0 1 388.508 3.185 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000833701390 604479254 /nfs/dbraw/zinc/47/92/54/604479254.db2.gz JEXCYIZHNRNSNV-UFYCRDLUSA-N 0 1 383.444 3.187 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000833701390 604479256 /nfs/dbraw/zinc/47/92/56/604479256.db2.gz JEXCYIZHNRNSNV-UFYCRDLUSA-N 0 1 383.444 3.187 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000833701755 604479726 /nfs/dbraw/zinc/47/97/26/604479726.db2.gz NEHHQNSKPDSOJV-HXUWFJFHSA-N 0 1 383.444 3.487 20 0 GGADMN Cc1cc(C)c(NC(=O)CCC[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)c1 ZINC000832876061 604481121 /nfs/dbraw/zinc/48/11/21/604481121.db2.gz BJIGKQSLZRAFQY-UHFFFAOYSA-N 0 1 376.497 3.286 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000832048868 604481148 /nfs/dbraw/zinc/48/11/48/604481148.db2.gz BNAGYZBXQKPEPS-DZFGPLHGSA-N 0 1 385.460 3.418 20 0 GGADMN COc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1Cl ZINC000832394932 604481492 /nfs/dbraw/zinc/48/14/92/604481492.db2.gz XFYWTSUKWRZQHP-IBGZPJMESA-N 0 1 388.851 3.361 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040535 604489934 /nfs/dbraw/zinc/48/99/34/604489934.db2.gz GEXNJHJXJSXRKB-LIRRHRJNSA-N 0 1 393.480 3.273 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040532 604490260 /nfs/dbraw/zinc/49/02/60/604490260.db2.gz GEXNJHJXJSXRKB-AUUYWEPGSA-N 0 1 393.480 3.273 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000263464079 604493667 /nfs/dbraw/zinc/49/36/67/604493667.db2.gz JOCPHQARBGHCJS-KOQKOIQBSA-N 0 1 399.535 3.326 20 0 GGADMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829055268 604500091 /nfs/dbraw/zinc/50/00/91/604500091.db2.gz FGPWDYGAWLAKAE-RYUDHWBXSA-N 0 1 393.509 3.017 20 0 GGADMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829055268 604500094 /nfs/dbraw/zinc/50/00/94/604500094.db2.gz FGPWDYGAWLAKAE-RYUDHWBXSA-N 0 1 393.509 3.017 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826881242 604509948 /nfs/dbraw/zinc/50/99/48/604509948.db2.gz KSMHMPLJYHBEPQ-SJLPKXTDSA-N 0 1 375.513 3.116 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833538177 604514998 /nfs/dbraw/zinc/51/49/98/604514998.db2.gz RIYNPSVQXNVQQJ-CVEARBPZSA-N 0 1 380.448 3.312 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1)C(=O)[O-] ZINC000833538179 604515135 /nfs/dbraw/zinc/51/51/35/604515135.db2.gz RIYNPSVQXNVQQJ-HOTGVXAUSA-N 0 1 380.448 3.312 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000827017543 604515898 /nfs/dbraw/zinc/51/58/98/604515898.db2.gz YXNSNLFRTPYHGQ-ZDUSSCGKSA-N 0 1 377.268 3.132 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000827017542 604516108 /nfs/dbraw/zinc/51/61/08/604516108.db2.gz YXNSNLFRTPYHGQ-CYBMUJFWSA-N 0 1 377.268 3.132 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-])c2cc1Cl ZINC000830229454 604516151 /nfs/dbraw/zinc/51/61/51/604516151.db2.gz TWHGDMDEGLTWOM-MRXNPFEDSA-N 0 1 381.856 3.319 20 0 GGADMN COC(=O)c1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000833717963 604521108 /nfs/dbraw/zinc/52/11/08/604521108.db2.gz ZWKCBHYKMJSYOE-GOSISDBHSA-N 0 1 399.443 3.065 20 0 GGADMN COC(=O)c1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000833717963 604521111 /nfs/dbraw/zinc/52/11/11/604521111.db2.gz ZWKCBHYKMJSYOE-GOSISDBHSA-N 0 1 399.443 3.065 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830756304 604523733 /nfs/dbraw/zinc/52/37/33/604523733.db2.gz YJTUTMOQPCOABM-MSOLQXFVSA-N 0 1 375.513 3.354 20 0 GGADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000830713165 604525129 /nfs/dbraw/zinc/52/51/29/604525129.db2.gz DWEYBUKJTUSSBK-MJGOQNOKSA-N 0 1 387.524 3.212 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543628 604525227 /nfs/dbraw/zinc/52/52/27/604525227.db2.gz TWAQZDAHSYHVND-QGZVFWFLSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@@H](Oc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543628 604525231 /nfs/dbraw/zinc/52/52/31/604525231.db2.gz TWAQZDAHSYHVND-QGZVFWFLSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@@H](Oc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543628 604525236 /nfs/dbraw/zinc/52/52/36/604525236.db2.gz TWAQZDAHSYHVND-QGZVFWFLSA-N 0 1 386.467 3.386 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000826096636 604533681 /nfs/dbraw/zinc/53/36/81/604533681.db2.gz YNXURYSJZIFVBF-LJQANCHMSA-N 0 1 387.524 3.498 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544071 604537416 /nfs/dbraw/zinc/53/74/16/604537416.db2.gz WRBIHNNMYBXMIT-HOCLYGCPSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1)C(=O)[O-] ZINC000833537417 604541633 /nfs/dbraw/zinc/54/16/33/604541633.db2.gz KGWWVPSSXLFFPS-HNNXBMFYSA-N 0 1 382.460 3.063 20 0 GGADMN CCC(CC)n1nccc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000828874276 604561771 /nfs/dbraw/zinc/56/17/71/604561771.db2.gz BVASFBKMPBRZEW-QFIPXVFZSA-N 0 1 398.507 3.093 20 0 GGADMN CCC(CC)n1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000828870030 604562161 /nfs/dbraw/zinc/56/21/61/604562161.db2.gz JRFUMSXOHQYOKC-QFIPXVFZSA-N 0 1 398.507 3.093 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833630245 604564369 /nfs/dbraw/zinc/56/43/69/604564369.db2.gz QMAMMUGIXAHUPO-UWJYYQICSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538607 604586250 /nfs/dbraw/zinc/58/62/50/604586250.db2.gz DRWYPAPZNQLRRR-INIZCTEOSA-N 0 1 377.444 3.283 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538607 604586252 /nfs/dbraw/zinc/58/62/52/604586252.db2.gz DRWYPAPZNQLRRR-INIZCTEOSA-N 0 1 377.444 3.283 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000833185335 604587663 /nfs/dbraw/zinc/58/76/63/604587663.db2.gz GRDBNHHJAJXRMW-OTWHNJEPSA-N 0 1 396.491 3.160 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000833185338 604587736 /nfs/dbraw/zinc/58/77/36/604587736.db2.gz GRDBNHHJAJXRMW-QRVBRYPASA-N 0 1 396.491 3.160 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000833547745 604587827 /nfs/dbraw/zinc/58/78/27/604587827.db2.gz IWQRSTYDNIRKAG-INIZCTEOSA-N 0 1 397.475 3.142 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000833614782 604602149 /nfs/dbraw/zinc/60/21/49/604602149.db2.gz UXIYGHYFSUFPLX-LSDHHAIUSA-N 0 1 379.526 3.495 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541534 604610856 /nfs/dbraw/zinc/61/08/56/604610856.db2.gz NKSHUQVPNMYNCS-NVXWUHKLSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833542809 604612027 /nfs/dbraw/zinc/61/20/27/604612027.db2.gz SSWNTYVPFDDIRY-NVXWUHKLSA-N 0 1 392.496 3.418 20 0 GGADMN C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833621695 604613082 /nfs/dbraw/zinc/61/30/82/604613082.db2.gz JLRWQKZVSDQREA-ZIAGYGMSSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833621695 604613086 /nfs/dbraw/zinc/61/30/86/604613086.db2.gz JLRWQKZVSDQREA-ZIAGYGMSSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000833621687 604613550 /nfs/dbraw/zinc/61/35/50/604613550.db2.gz JLRWQKZVSDQREA-KGLIPLIRSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@@H](C)C[N@H+]1C ZINC000833621687 604613552 /nfs/dbraw/zinc/61/35/52/604613552.db2.gz JLRWQKZVSDQREA-KGLIPLIRSA-N 0 1 388.489 3.435 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439247 604615314 /nfs/dbraw/zinc/61/53/14/604615314.db2.gz LOLLKOWHGQXRBZ-IRXDYDNUSA-N 0 1 377.485 3.467 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000568873760 604618879 /nfs/dbraw/zinc/61/88/79/604618879.db2.gz FAWYXXXKSIGDHU-INIZCTEOSA-N 0 1 384.476 3.309 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000568873760 604618882 /nfs/dbraw/zinc/61/88/82/604618882.db2.gz FAWYXXXKSIGDHU-INIZCTEOSA-N 0 1 384.476 3.309 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833756409 604619482 /nfs/dbraw/zinc/61/94/82/604619482.db2.gz KXWFOKSKTOVNSA-GOSISDBHSA-N 0 1 392.459 3.146 20 0 GGADMN CCc1csc([C@@H]2CCC[N@@H+](Cc3c(C)nn(CCC(=O)[O-])c3C)C2)n1 ZINC000833676596 604623607 /nfs/dbraw/zinc/62/36/07/604623607.db2.gz NZTLEGZHMVMOKS-OAHLLOKOSA-N 0 1 376.526 3.373 20 0 GGADMN CCc1csc([C@H]2CCC[N@@H+](Cc3c(C)nn(CCC(=O)[O-])c3C)C2)n1 ZINC000833676595 604624099 /nfs/dbraw/zinc/62/40/99/604624099.db2.gz NZTLEGZHMVMOKS-HNNXBMFYSA-N 0 1 376.526 3.373 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538053 604632798 /nfs/dbraw/zinc/63/27/98/604632798.db2.gz BEZJWGBOTFCHCQ-WBVHZDCISA-N 0 1 392.496 3.227 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1)C(=O)[O-] ZINC000833538266 604635460 /nfs/dbraw/zinc/63/54/60/604635460.db2.gz CBJCTLNHVJTRCK-HNNXBMFYSA-N 0 1 381.432 3.002 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1)C(=O)[O-] ZINC000833542608 604646989 /nfs/dbraw/zinc/64/69/89/604646989.db2.gz VCDMNSWLWBARJG-CQSZACIVSA-N 0 1 376.403 3.139 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1)C(=O)[O-] ZINC000833540114 604647481 /nfs/dbraw/zinc/64/74/81/604647481.db2.gz JRMLRPPACSTEOZ-CQSZACIVSA-N 0 1 376.403 3.139 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000829026569 604648884 /nfs/dbraw/zinc/64/88/84/604648884.db2.gz JJWSTTIDESLQFJ-QGZVFWFLSA-N 0 1 385.851 3.386 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000833536713 604655435 /nfs/dbraw/zinc/65/54/35/604655435.db2.gz DIMWJVXQHIDGLH-JXFKEZNVSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833543681 604664473 /nfs/dbraw/zinc/66/44/73/604664473.db2.gz URPQMFWOGSYMFN-GDBMZVCRSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833536785 604683510 /nfs/dbraw/zinc/68/35/10/604683510.db2.gz FICOBGVJXQADFZ-CFAZGSRYSA-N 0 1 375.490 3.469 20 0 GGADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000829210041 604700621 /nfs/dbraw/zinc/70/06/21/604700621.db2.gz YDIPZKKESUKDEQ-YSSFQJQWSA-N 0 1 385.508 3.180 20 0 GGADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000833631166 604722996 /nfs/dbraw/zinc/72/29/96/604722996.db2.gz AHNSGRHAECXWHN-UDBBHLTHSA-N 0 1 378.469 3.025 20 0 GGADMN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833549116 604729268 /nfs/dbraw/zinc/72/92/68/604729268.db2.gz ADTYFWXWHQGASP-VIFPVBQESA-N 0 1 386.235 3.016 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1)C(=O)[O-] ZINC000827449132 604739410 /nfs/dbraw/zinc/73/94/10/604739410.db2.gz GRAVSFUJZVOZON-OAHLLOKOSA-N 0 1 395.459 3.063 20 0 GGADMN C[C@@H](c1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000833548395 604741407 /nfs/dbraw/zinc/74/14/07/604741407.db2.gz OWOBBCQHSCRLTI-INIZCTEOSA-N 0 1 382.460 3.349 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264350 604744276 /nfs/dbraw/zinc/74/42/76/604744276.db2.gz ABIMNFNWTVFVMD-UZLBHIALSA-N 0 1 388.508 3.324 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833596846 604754467 /nfs/dbraw/zinc/75/44/67/604754467.db2.gz NCIRQKKAFUWJJH-DYESRHJHSA-N 0 1 380.488 3.439 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833512231 604759084 /nfs/dbraw/zinc/75/90/84/604759084.db2.gz QTZHGNMMHHUDOV-SFHVURJKSA-N 0 1 391.899 3.307 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)o1 ZINC000833511280 604759105 /nfs/dbraw/zinc/75/91/05/604759105.db2.gz JYVJDJALSFRQJA-INIZCTEOSA-N 0 1 375.444 3.342 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544494 604759110 /nfs/dbraw/zinc/75/91/10/604759110.db2.gz YQOCZWAVYXMZOZ-WBVHZDCISA-N 0 1 377.481 3.482 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)cc1)C(=O)[O-] ZINC000833539510 604759202 /nfs/dbraw/zinc/75/92/02/604759202.db2.gz ZUAYSSKNJCFZQN-LBPRGKRZSA-N 0 1 381.270 3.272 20 0 GGADMN O=C([O-])CCC[N@H+](Cc1ccccc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000833226841 604765642 /nfs/dbraw/zinc/76/56/42/604765642.db2.gz LXZQGOMXCHOPQE-LJQANCHMSA-N 0 1 384.451 3.466 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833693329 604765839 /nfs/dbraw/zinc/76/58/39/604765839.db2.gz UDDOEXQVEORAMK-IBGZPJMESA-N 0 1 380.488 3.298 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000833504561 604767422 /nfs/dbraw/zinc/76/74/22/604767422.db2.gz CXNJJZRZXHEPIG-FQEVSTJZSA-N 0 1 394.475 3.244 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000833504561 604767425 /nfs/dbraw/zinc/76/74/25/604767425.db2.gz CXNJJZRZXHEPIG-FQEVSTJZSA-N 0 1 394.475 3.244 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000833506090 604768609 /nfs/dbraw/zinc/76/86/09/604768609.db2.gz SAUOYEZXOBDUOX-HNNXBMFYSA-N 0 1 385.386 3.201 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833544498 604772880 /nfs/dbraw/zinc/77/28/80/604772880.db2.gz YTKSLUUARCEPSA-VYDXJSESSA-N 0 1 392.496 3.416 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833629265 604773802 /nfs/dbraw/zinc/77/38/02/604773802.db2.gz GURXIZOPVGLQER-LAUBAEHRSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@H]1C[C@H](NC(=O)CCc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833595749 604777307 /nfs/dbraw/zinc/77/73/07/604777307.db2.gz HQTAWVYZUKXUIV-FXAWDEMLSA-N 0 1 380.488 3.487 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833595750 604777333 /nfs/dbraw/zinc/77/73/33/604777333.db2.gz HQTAWVYZUKXUIV-PXNSSMCTSA-N 0 1 380.488 3.487 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)c1ccccc1 ZINC000830581818 604781076 /nfs/dbraw/zinc/78/10/76/604781076.db2.gz RVAAKLIMKLYQAJ-HXUWFJFHSA-N 0 1 381.476 3.091 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H]1N1CCOCC1 ZINC000829151972 604781176 /nfs/dbraw/zinc/78/11/76/604781176.db2.gz VILBEWODDKAVFE-CZUORRHYSA-N 0 1 392.496 3.281 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccccc3C(=O)[O-])cc2)C1 ZINC000833613139 604791963 /nfs/dbraw/zinc/79/19/63/604791963.db2.gz FBXNDIWNZVGLQR-KRWDZBQOSA-N 0 1 380.488 3.476 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000829142676 604797854 /nfs/dbraw/zinc/79/78/54/604797854.db2.gz VTGREWLZEFPILR-JLZZUVOBSA-N 0 1 387.307 3.162 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000829143063 604798115 /nfs/dbraw/zinc/79/81/15/604798115.db2.gz XGDGZNFZKJVLPA-DQYPLSBCSA-N 0 1 387.307 3.162 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000829142679 604798156 /nfs/dbraw/zinc/79/81/56/604798156.db2.gz VTGREWLZEFPILR-OAUYIBNBSA-N 0 1 387.307 3.162 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000833337073 604799885 /nfs/dbraw/zinc/79/98/85/604799885.db2.gz YYOWHQBJGGDMID-DOTOQJQBSA-N 0 1 385.489 3.128 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000833337073 604799887 /nfs/dbraw/zinc/79/98/87/604799887.db2.gz YYOWHQBJGGDMID-DOTOQJQBSA-N 0 1 385.489 3.128 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000570572550 604800257 /nfs/dbraw/zinc/80/02/57/604800257.db2.gz AHUFQWXYCWFFDL-DZGCQCFKSA-N 0 1 386.521 3.459 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000833337075 604800659 /nfs/dbraw/zinc/80/06/59/604800659.db2.gz YYOWHQBJGGDMID-RDJZCZTQSA-N 0 1 385.489 3.128 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000833337075 604800664 /nfs/dbraw/zinc/80/06/64/604800664.db2.gz YYOWHQBJGGDMID-RDJZCZTQSA-N 0 1 385.489 3.128 20 0 GGADMN C[C@H](CCNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000833514932 604814992 /nfs/dbraw/zinc/81/49/92/604814992.db2.gz GNFASFLNWNUSMP-QGZVFWFLSA-N 0 1 395.503 3.363 20 0 GGADMN C[C@@]1([NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCC[C@H]1C(=O)[O-] ZINC000833570697 604820831 /nfs/dbraw/zinc/82/08/31/604820831.db2.gz NMDVECYHTMNAAI-APPDUMDISA-N 0 1 398.385 3.143 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1cccs1 ZINC000830927854 604826495 /nfs/dbraw/zinc/82/64/95/604826495.db2.gz CIPDRLNHBUAOBD-SUMWQHHRSA-N 0 1 376.453 3.398 20 0 GGADMN C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833588836 604838662 /nfs/dbraw/zinc/83/86/62/604838662.db2.gz SHXWWBPAUFJKGR-KBPBESRZSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833588836 604838664 /nfs/dbraw/zinc/83/86/64/604838664.db2.gz SHXWWBPAUFJKGR-KBPBESRZSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833588841 604838999 /nfs/dbraw/zinc/83/89/99/604838999.db2.gz SHXWWBPAUFJKGR-ZIAGYGMSSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833588841 604839003 /nfs/dbraw/zinc/83/90/03/604839003.db2.gz SHXWWBPAUFJKGR-ZIAGYGMSSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833410418 604846225 /nfs/dbraw/zinc/84/62/25/604846225.db2.gz XLJJLUHBMVFBMY-AWEZNQCLSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833410418 604846228 /nfs/dbraw/zinc/84/62/28/604846228.db2.gz XLJJLUHBMVFBMY-AWEZNQCLSA-N 0 1 375.428 3.318 20 0 GGADMN O=C([O-])[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000833173919 604846658 /nfs/dbraw/zinc/84/66/58/604846658.db2.gz JRQDNXDZIZNDOW-QGZVFWFLSA-N 0 1 379.382 3.044 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000826885849 604847680 /nfs/dbraw/zinc/84/76/80/604847680.db2.gz KVFAEOCTWQJMSX-ZDUSSCGKSA-N 0 1 399.438 3.476 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417352 604857243 /nfs/dbraw/zinc/85/72/43/604857243.db2.gz QTNQDYKBRVNTQH-LPHOPBHVSA-N 0 1 394.471 3.295 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417354 604857300 /nfs/dbraw/zinc/85/73/00/604857300.db2.gz QTNQDYKBRVNTQH-VQIMIIECSA-N 0 1 394.471 3.295 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[O-] ZINC000833544961 604859188 /nfs/dbraw/zinc/85/91/88/604859188.db2.gz CBPOCOOMJSWTEF-YJLNNSPDSA-N 0 1 384.501 3.427 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000833487305 604859502 /nfs/dbraw/zinc/85/95/02/604859502.db2.gz CJKOWMREZDJJAV-JKSUJKDBSA-N 0 1 378.538 3.350 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[O-] ZINC000833544954 604859584 /nfs/dbraw/zinc/85/95/84/604859584.db2.gz CBPOCOOMJSWTEF-FNHZYXHNSA-N 0 1 384.501 3.427 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC[N@H+]2C)cc1 ZINC000738093488 604884639 /nfs/dbraw/zinc/88/46/39/604884639.db2.gz MSTXYGCAVDRRQB-KXBFYZLASA-N 0 1 386.448 3.188 20 0 GGADMN C[C@H]1CCc2c(sc3nc(C[NH+]4CCC5(C[C@@H]5C(=O)[O-])CC4)nc(N)c32)C1 ZINC000833617244 604908734 /nfs/dbraw/zinc/90/87/34/604908734.db2.gz PKJLCMKRCXKCJF-WCQYABFASA-N 0 1 386.521 3.085 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC5(C[C@@H]5C(=O)[O-])CC4)nc(N)c32)C1 ZINC000833617243 604908762 /nfs/dbraw/zinc/90/87/62/604908762.db2.gz PKJLCMKRCXKCJF-DGCLKSJQSA-N 0 1 386.521 3.085 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829118194 604913307 /nfs/dbraw/zinc/91/33/07/604913307.db2.gz 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GGADMN CN(C(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1C(=O)[O-] ZINC000833684648 604921350 /nfs/dbraw/zinc/92/13/50/604921350.db2.gz LUXRUYYOAHBECV-UHFFFAOYSA-N 0 1 390.443 3.013 20 0 GGADMN CN(C(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1C(=O)[O-] ZINC000833684648 604921353 /nfs/dbraw/zinc/92/13/53/604921353.db2.gz LUXRUYYOAHBECV-UHFFFAOYSA-N 0 1 390.443 3.013 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CC1 ZINC000833547885 604923311 /nfs/dbraw/zinc/92/33/11/604923311.db2.gz FVIWLFCUOLXEOK-HRAATJIYSA-N 0 1 378.472 3.250 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828237444 604925171 /nfs/dbraw/zinc/92/51/71/604925171.db2.gz ACOHDFUZGIUWJL-BETUJISGSA-N 0 1 383.876 3.188 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000829760636 604925203 /nfs/dbraw/zinc/92/52/03/604925203.db2.gz UXQHOUMLWAUSAO-GXTWGEPZSA-N 0 1 383.876 3.140 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000829760638 604925535 /nfs/dbraw/zinc/92/55/35/604925535.db2.gz UXQHOUMLWAUSAO-JSGCOSHPSA-N 0 1 383.876 3.140 20 0 GGADMN C[C@@H]1CC(=O)NCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000833591690 604930937 /nfs/dbraw/zinc/93/09/37/604930937.db2.gz HEAKQTSDFCVMGZ-OAHLLOKOSA-N 0 1 389.455 3.310 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000833697176 604932718 /nfs/dbraw/zinc/93/27/18/604932718.db2.gz DETNOICBIFUIBI-DLBZAZTESA-N 0 1 376.815 3.353 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000833697176 604932720 /nfs/dbraw/zinc/93/27/20/604932720.db2.gz DETNOICBIFUIBI-DLBZAZTESA-N 0 1 376.815 3.353 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000833421138 604933137 /nfs/dbraw/zinc/93/31/37/604933137.db2.gz INYWVMSVDFSRLP-LBPRGKRZSA-N 0 1 377.466 3.164 20 0 GGADMN C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000833597794 604933440 /nfs/dbraw/zinc/93/34/40/604933440.db2.gz NFLRLJFYSUHPTL-QWRGUYRKSA-N 0 1 394.880 3.160 20 0 GGADMN C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000833597794 604933442 /nfs/dbraw/zinc/93/34/42/604933442.db2.gz NFLRLJFYSUHPTL-QWRGUYRKSA-N 0 1 394.880 3.160 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000833416564 604934920 /nfs/dbraw/zinc/93/49/20/604934920.db2.gz ANMBDASRPAPSEE-HXUWFJFHSA-N 0 1 386.536 3.291 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000322109070 604935674 /nfs/dbraw/zinc/93/56/74/604935674.db2.gz XEOUJGWUASEYGM-GFCCVEGCSA-N 0 1 383.286 3.210 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000322109070 604935681 /nfs/dbraw/zinc/93/56/81/604935681.db2.gz XEOUJGWUASEYGM-GFCCVEGCSA-N 0 1 383.286 3.210 20 0 GGADMN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 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/nfs/dbraw/zinc/93/82/75/604938275.db2.gz HZYZXONNUMMRQD-KRWDZBQOSA-N 0 1 387.524 3.438 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000833421104 604938727 /nfs/dbraw/zinc/93/87/27/604938727.db2.gz HZYZXONNUMMRQD-QGZVFWFLSA-N 0 1 387.524 3.438 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000652499602 604939654 /nfs/dbraw/zinc/93/96/54/604939654.db2.gz DPBVHMVSKCXYFH-CYBMUJFWSA-N 0 1 397.401 3.004 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000652499602 604939659 /nfs/dbraw/zinc/93/96/59/604939659.db2.gz DPBVHMVSKCXYFH-CYBMUJFWSA-N 0 1 397.401 3.004 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000830927877 604941044 /nfs/dbraw/zinc/94/10/44/604941044.db2.gz DGGZOKDOHKBFGB-IAQYHMDHSA-N 0 1 385.386 3.352 20 0 GGADMN COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1Cl ZINC000833729536 604941424 /nfs/dbraw/zinc/94/14/24/604941424.db2.gz VZPLVRUNZHDSGJ-GFCCVEGCSA-N 0 1 398.887 3.119 20 0 GGADMN CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000829609040 604941897 /nfs/dbraw/zinc/94/18/97/604941897.db2.gz WKEAJPALIHPFLF-SFHVURJKSA-N 0 1 376.840 3.435 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000829609040 604941899 /nfs/dbraw/zinc/94/18/99/604941899.db2.gz WKEAJPALIHPFLF-SFHVURJKSA-N 0 1 376.840 3.435 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409566 604942407 /nfs/dbraw/zinc/94/24/07/604942407.db2.gz OVIKLRPFZHDOHI-QWHCGFSZSA-N 0 1 384.423 3.438 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000833417564 604942612 /nfs/dbraw/zinc/94/26/12/604942612.db2.gz VAWAFBMTFLHBHG-LRDDRELGSA-N 0 1 382.863 3.407 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409565 604943063 /nfs/dbraw/zinc/94/30/63/604943063.db2.gz OVIKLRPFZHDOHI-OLZOCXBDSA-N 0 1 384.423 3.438 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749424 604948925 /nfs/dbraw/zinc/94/89/25/604948925.db2.gz LKGAYSVVRIOZFX-NVXWUHKLSA-N 0 1 376.472 3.452 20 0 GGADMN C[C@H](OC[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000576286203 604951112 /nfs/dbraw/zinc/95/11/12/604951112.db2.gz OAYPELSJRBIBNS-QMIHWGKISA-N 0 1 389.879 3.463 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000652499787 604952565 /nfs/dbraw/zinc/95/25/65/604952565.db2.gz MKYRYRHCPSTTPI-CABCVRRESA-N 0 1 389.414 3.268 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000833420649 604954901 /nfs/dbraw/zinc/95/49/01/604954901.db2.gz XOSWOJKAKFFGGL-LBPRGKRZSA-N 0 1 388.537 3.475 20 0 GGADMN C[C@H](c1ccco1)[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CC1 ZINC000833548139 604956899 /nfs/dbraw/zinc/95/68/99/604956899.db2.gz ANELOVKLSYLKDZ-KUHUBIRLSA-N 0 1 395.459 3.098 20 0 GGADMN 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VDNRYPXCVUUDAC-SFHVURJKSA-N 0 1 395.415 3.407 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)CCNC(=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000833499805 605185409 /nfs/dbraw/zinc/18/54/09/605185409.db2.gz ZCYTUDAFRJOZHC-SFHVURJKSA-N 0 1 377.485 3.062 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)NC(=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000833497441 605185756 /nfs/dbraw/zinc/18/57/56/605185756.db2.gz BEDOPVJPRGDQFQ-YJBOKZPZSA-N 0 1 377.485 3.061 20 0 GGADMN C[C@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000833564464 605193353 /nfs/dbraw/zinc/19/33/53/605193353.db2.gz VBYQKFZCJIOWTG-QGZVFWFLSA-N 0 1 389.279 3.257 20 0 GGADMN C[C@]1(CCCO)CCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000833564464 605193356 /nfs/dbraw/zinc/19/33/56/605193356.db2.gz VBYQKFZCJIOWTG-QGZVFWFLSA-N 0 1 389.279 3.257 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@]3(C)CCCO)c2C(=O)[O-])C1 ZINC000833616721 605193422 /nfs/dbraw/zinc/19/34/22/605193422.db2.gz FIYMTGIZHCUMLH-RNODOKPDSA-N 0 1 394.537 3.137 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCOC(c1ccccc1)c1ccccc1 ZINC000833629803 605195693 /nfs/dbraw/zinc/19/56/93/605195693.db2.gz ZZILJFOKTOCLCF-LJQANCHMSA-N 0 1 382.504 3.273 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC/C=C\c1ccc(Br)cc1 ZINC000833628397 605196524 /nfs/dbraw/zinc/19/65/24/605196524.db2.gz HNRWZIIQWMPPOI-NSRYLSIASA-N 0 1 381.314 3.333 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000833628397 605196526 /nfs/dbraw/zinc/19/65/26/605196526.db2.gz HNRWZIIQWMPPOI-NSRYLSIASA-N 0 1 381.314 3.333 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000833628397 605196530 /nfs/dbraw/zinc/19/65/30/605196530.db2.gz HNRWZIIQWMPPOI-NSRYLSIASA-N 0 1 381.314 3.333 20 0 GGADMN CC(C)CNC(=O)C1CC[NH+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833489156 605202357 /nfs/dbraw/zinc/20/23/57/605202357.db2.gz WWINBVDNLUOQSQ-UHFFFAOYSA-N 0 1 385.464 3.024 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463685 605202818 /nfs/dbraw/zinc/20/28/18/605202818.db2.gz PXVKYZSUIALDRX-BBRMVZONSA-N 0 1 397.313 3.059 20 0 GGADMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)C2)n1 ZINC000833755670 605209799 /nfs/dbraw/zinc/20/97/99/605209799.db2.gz WRFLRFOSZVBZRY-MRXNPFEDSA-N 0 1 395.463 3.160 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833420131 605211167 /nfs/dbraw/zinc/21/11/67/605211167.db2.gz BAGQLHMHUZNNDL-HNNXBMFYSA-N 0 1 399.491 3.414 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833420131 605211169 /nfs/dbraw/zinc/21/11/69/605211169.db2.gz BAGQLHMHUZNNDL-HNNXBMFYSA-N 0 1 399.491 3.414 20 0 GGADMN CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](CCOc3ccccc3C(=O)[O-])C2)o1 ZINC000768786481 605212954 /nfs/dbraw/zinc/21/29/54/605212954.db2.gz WUCRHBOUVVVQLR-MRXNPFEDSA-N 0 1 387.480 3.081 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000833600681 605218411 /nfs/dbraw/zinc/21/84/11/605218411.db2.gz MSTDHPWZRFWOJR-GJZGRUSLSA-N 0 1 378.469 3.141 20 0 GGADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000833600684 605218425 /nfs/dbraw/zinc/21/84/25/605218425.db2.gz MSTDHPWZRFWOJR-LSDHHAIUSA-N 0 1 378.469 3.141 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC000833436508 605222160 /nfs/dbraw/zinc/22/21/60/605222160.db2.gz JDMVTVVAOLTWAL-CVEARBPZSA-N 0 1 390.480 3.237 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC000833773010 605222305 /nfs/dbraw/zinc/22/23/05/605222305.db2.gz FQQIGCVKIBRJAM-UHFFFAOYSA-N 0 1 395.341 3.400 20 0 GGADMN COc1ccc(C2(C[NH2+]C3CCN(CC(=O)[O-])CC3)CCCCC2)cc1OC ZINC000833730744 605222369 /nfs/dbraw/zinc/22/23/69/605222369.db2.gz CCQCMBGMWJRNSU-UHFFFAOYSA-N 0 1 390.524 3.044 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000833773437 605226548 /nfs/dbraw/zinc/22/65/48/605226548.db2.gz NJQQLPRVDUFQEA-KRWDZBQOSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCC[NH+]1CCC(N[C@H]2CCc3c2cccc3Br)CC1 ZINC000833773437 605226550 /nfs/dbraw/zinc/22/65/50/605226550.db2.gz NJQQLPRVDUFQEA-KRWDZBQOSA-N 0 1 381.314 3.355 20 0 GGADMN CN1CC[C@H](NC2CC[NH+](CCCC(=O)[O-])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833697077 605227227 /nfs/dbraw/zinc/22/72/27/605227227.db2.gz CVWWWTROFMVNHK-AZUAARDMSA-N 0 1 397.922 3.143 20 0 GGADMN COc1cc(OC)c(C2CCN(c3ccc(C(=O)[O-])c(C)[nH+]3)CC2)c(OC)c1 ZINC000833729446 605228961 /nfs/dbraw/zinc/22/89/61/605228961.db2.gz SFXNJDLQEFVLBV-UHFFFAOYSA-N 0 1 386.448 3.498 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417847 605244670 /nfs/dbraw/zinc/24/46/70/605244670.db2.gz YVLCYNKBYLYTHN-WBMJQRKESA-N 0 1 382.863 3.407 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417841 605244708 /nfs/dbraw/zinc/24/47/08/605244708.db2.gz YVLCYNKBYLYTHN-LRDDRELGSA-N 0 1 382.863 3.407 20 0 GGADMN C[C@@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000833514544 605250560 /nfs/dbraw/zinc/25/05/60/605250560.db2.gz UCJKLPZWICEHBA-UONOGXRCSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC000833618256 605254000 /nfs/dbraw/zinc/25/40/00/605254000.db2.gz MRFARUYHBJEKFK-UGFHNGPFSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833626814 605255426 /nfs/dbraw/zinc/25/54/26/605255426.db2.gz ZSTAOLLMUCINHX-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833626814 605255428 /nfs/dbraw/zinc/25/54/28/605255428.db2.gz ZSTAOLLMUCINHX-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833622976 605259109 /nfs/dbraw/zinc/25/91/09/605259109.db2.gz NLQJBYRRGADSCX-JTQLQIEISA-N 0 1 399.925 3.146 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833622976 605259111 /nfs/dbraw/zinc/25/91/11/605259111.db2.gz NLQJBYRRGADSCX-JTQLQIEISA-N 0 1 399.925 3.146 20 0 GGADMN CC(C)(CC(=O)[O-])CC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000833455362 605259118 /nfs/dbraw/zinc/25/91/18/605259118.db2.gz ZRWQNALJCGFSAM-UHFFFAOYSA-N 0 1 399.491 3.313 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833622982 605259326 /nfs/dbraw/zinc/25/93/26/605259326.db2.gz NLQJBYRRGADSCX-SNVBAGLBSA-N 0 1 399.925 3.146 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833622982 605259327 /nfs/dbraw/zinc/25/93/27/605259327.db2.gz NLQJBYRRGADSCX-SNVBAGLBSA-N 0 1 399.925 3.146 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)Cc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000833591354 605263652 /nfs/dbraw/zinc/26/36/52/605263652.db2.gz LCFSPGZUDGRNEI-MJGOQNOKSA-N 0 1 380.488 3.344 20 0 GGADMN CC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833421298 605264285 /nfs/dbraw/zinc/26/42/85/605264285.db2.gz 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1 394.460 3.414 20 0 GGADMN COc1ccc(CNCc2cccc(-c3nn[nH]n3)c2)c(OC2CCCC2)c1 ZINC000821817904 606225159 /nfs/dbraw/zinc/22/51/59/606225159.db2.gz BAFCMBIJOKROPE-UHFFFAOYSA-N 0 1 379.464 3.487 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823356374 606257630 /nfs/dbraw/zinc/25/76/30/606257630.db2.gz LCWGPELPGXZYQF-UHFFFAOYSA-N 0 1 388.366 3.130 20 0 GGADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCCCC2)cc1 ZINC000821778145 606405993 /nfs/dbraw/zinc/40/59/93/606405993.db2.gz VLQRRRDLGNSUBS-SFHVURJKSA-N 0 1 398.536 3.254 20 0 GGADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCCCC2)cc1 ZINC000821778145 606405994 /nfs/dbraw/zinc/40/59/94/606405994.db2.gz VLQRRRDLGNSUBS-SFHVURJKSA-N 0 1 398.536 3.254 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431565 606414769 /nfs/dbraw/zinc/41/47/69/606414769.db2.gz GSGMPTXRSKVDEN-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431565 606414771 /nfs/dbraw/zinc/41/47/71/606414771.db2.gz GSGMPTXRSKVDEN-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN CN(Cc1ccc(-c2nn[nH]n2)cc1OC(F)F)[C@H](CCO)c1ccccc1 ZINC000821609958 606502464 /nfs/dbraw/zinc/50/24/64/606502464.db2.gz SUQJYUMBBDZNOM-MRXNPFEDSA-N 0 1 389.406 3.024 20 0 GGADMN CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000820722613 606544324 /nfs/dbraw/zinc/54/43/24/606544324.db2.gz KUZXLLFXRTXRHG-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000820722613 606544325 /nfs/dbraw/zinc/54/43/25/606544325.db2.gz KUZXLLFXRTXRHG-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN CCOC(=O)c1sc(NC(=O)/C=C2\CC[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000821346538 606620877 /nfs/dbraw/zinc/62/08/77/606620877.db2.gz LGIRYRYZTOGLMU-OHMLCJAVSA-N 0 1 375.454 3.098 20 0 GGADMN CC(C)[C@@H]1CCN(CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)C1 ZINC000820038209 606713862 /nfs/dbraw/zinc/71/38/62/606713862.db2.gz LUAQOXXYLFXFBJ-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CCC(=O)N1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000820838217 606771998 /nfs/dbraw/zinc/77/19/98/606771998.db2.gz QKEQYRJUYRWUDN-UHFFFAOYSA-N 0 1 396.520 3.086 20 0 GGADMN CC(C)(C)N(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000819913937 606793967 /nfs/dbraw/zinc/79/39/67/606793967.db2.gz IDWBINFTOMNTHM-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CN(C)C1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)CCC1 ZINC000821580974 606834806 /nfs/dbraw/zinc/83/48/06/606834806.db2.gz AECIXBCGYZMGJD-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN Cc1ccc(CNCc2cccc(-c3nn[nH]n3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000822238809 606868481 /nfs/dbraw/zinc/86/84/81/606868481.db2.gz VUQNNEDFRXGAOY-IBGZPJMESA-N 0 1 379.464 3.023 20 0 GGADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Br)o1 ZINC000821600388 606883525 /nfs/dbraw/zinc/88/35/25/606883525.db2.gz KLVFHCGCXJHFOH-UHFFFAOYSA-N 0 1 392.257 3.123 20 0 GGADMN CCc1nnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(-c2nn[n-]n2)c1CC ZINC000821536942 606917552 /nfs/dbraw/zinc/91/75/52/606917552.db2.gz ZTXPEDKVJNWWEG-OAHLLOKOSA-N 0 1 398.540 3.092 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1C)N(C)C ZINC000820842524 607021272 /nfs/dbraw/zinc/02/12/72/607021272.db2.gz NOSFOAPHVRTKCJ-IBGZPJMESA-N 0 1 394.479 3.033 20 0 GGADMN Fc1cccc(CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]2CCCO2)c1 ZINC000822786785 607061323 /nfs/dbraw/zinc/06/13/23/607061323.db2.gz PNWHYARWDRDZRK-GOSISDBHSA-N 0 1 385.418 3.326 20 0 GGADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000821399863 607070028 /nfs/dbraw/zinc/07/00/28/607070028.db2.gz CXZJCAKZAGRYFO-IBGZPJMESA-N 0 1 394.479 3.287 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc3ccsc32)cc1-c1nn[nH]n1 ZINC000826229391 607781837 /nfs/dbraw/zinc/78/18/37/607781837.db2.gz CFLZHTPKQLIPTF-UHFFFAOYSA-N 0 1 384.446 3.156 20 0 GGADMN CN(Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000825975890 607792250 /nfs/dbraw/zinc/79/22/50/607792250.db2.gz AMVYTXYEEZKBFW-QGZVFWFLSA-N 0 1 382.855 3.145 20 0 GGADMN CN(Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000825975887 607792256 /nfs/dbraw/zinc/79/22/56/607792256.db2.gz AMVYTXYEEZKBFW-KRWDZBQOSA-N 0 1 382.855 3.145 20 0 GGADMN CC1(CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCCC1 ZINC000824818146 607792981 /nfs/dbraw/zinc/79/29/81/607792981.db2.gz RXWWLMWMSZIIEM-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824533098 607879816 /nfs/dbraw/zinc/87/98/16/607879816.db2.gz YZBHLTJRORRCNB-RYUDHWBXSA-N 0 1 388.541 3.302 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761796 608036012 /nfs/dbraw/zinc/03/60/12/608036012.db2.gz CPBLYWQCRMBFFV-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761796 608036013 /nfs/dbraw/zinc/03/60/13/608036013.db2.gz CPBLYWQCRMBFFV-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761796 608036014 /nfs/dbraw/zinc/03/60/14/608036014.db2.gz CPBLYWQCRMBFFV-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761796 608036015 /nfs/dbraw/zinc/03/60/15/608036015.db2.gz CPBLYWQCRMBFFV-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN O=C(NCc1cccc(-c2nn[nH]n2)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000826443088 608078349 /nfs/dbraw/zinc/07/83/49/608078349.db2.gz ZSOZKQMSWJFNPW-UHFFFAOYSA-N 0 1 384.350 3.002 20 0 GGADMN CCN(Cc1ccccc1C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825439926 608122149 /nfs/dbraw/zinc/12/21/49/608122149.db2.gz UEYUJYWVPLMSHC-CQSZACIVSA-N 0 1 382.468 3.234 20 0 GGADMN CCn1c2ccc(-c3nn[nH]n3)cc2nc1NC(=O)/C=C/Sc1ccccc1 ZINC000825788430 608175557 /nfs/dbraw/zinc/17/55/57/608175557.db2.gz QMEPTLUWSAEUBE-ZHACJKMWSA-N 0 1 391.460 3.481 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824770870 608178660 /nfs/dbraw/zinc/17/86/60/608178660.db2.gz NKAGELBWDGXXAD-ZYHUDNBSSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824770870 608178661 /nfs/dbraw/zinc/17/86/61/608178661.db2.gz NKAGELBWDGXXAD-ZYHUDNBSSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824770870 608178662 /nfs/dbraw/zinc/17/86/62/608178662.db2.gz NKAGELBWDGXXAD-ZYHUDNBSSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824770870 608178663 /nfs/dbraw/zinc/17/86/63/608178663.db2.gz NKAGELBWDGXXAD-ZYHUDNBSSA-N 0 1 375.889 3.224 20 0 GGADMN O=C(Nc1cccnc1)c1ccc(Oc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000826457902 608179760 /nfs/dbraw/zinc/17/97/60/608179760.db2.gz VISGCLIFSXDAPV-UHFFFAOYSA-N 0 1 399.823 3.416 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824938197 608183850 /nfs/dbraw/zinc/18/38/50/608183850.db2.gz UQJLMVJULPRHSW-NEPJUHHUSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824938197 608183851 /nfs/dbraw/zinc/18/38/51/608183851.db2.gz UQJLMVJULPRHSW-NEPJUHHUSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938197 608183852 /nfs/dbraw/zinc/18/38/52/608183852.db2.gz UQJLMVJULPRHSW-NEPJUHHUSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938197 608183853 /nfs/dbraw/zinc/18/38/53/608183853.db2.gz UQJLMVJULPRHSW-NEPJUHHUSA-N 0 1 381.937 3.067 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825918561 608193846 /nfs/dbraw/zinc/19/38/46/608193846.db2.gz HKEUBXWYDNNCTI-UHFFFAOYSA-N 0 1 398.902 3.053 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825918561 608193848 /nfs/dbraw/zinc/19/38/48/608193848.db2.gz HKEUBXWYDNNCTI-UHFFFAOYSA-N 0 1 398.902 3.053 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)C2CCCCC2)cc1-c1nn[nH]n1 ZINC000826229624 608254085 /nfs/dbraw/zinc/25/40/85/608254085.db2.gz LCPPIFYMGPGQBV-UHFFFAOYSA-N 0 1 390.513 3.026 20 0 GGADMN CCCO[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000825339219 608311421 /nfs/dbraw/zinc/31/14/21/608311421.db2.gz RZALDWAIZBLAAP-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCCO[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000825339219 608311422 /nfs/dbraw/zinc/31/14/22/608311422.db2.gz RZALDWAIZBLAAP-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCCO[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825339219 608311423 /nfs/dbraw/zinc/31/14/23/608311423.db2.gz RZALDWAIZBLAAP-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCCO[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825339219 608311424 /nfs/dbraw/zinc/31/14/24/608311424.db2.gz RZALDWAIZBLAAP-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668247 608314332 /nfs/dbraw/zinc/31/43/32/608314332.db2.gz CPKHVQXDSRTGRK-SJORKVTESA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668247 608314334 /nfs/dbraw/zinc/31/43/34/608314334.db2.gz CPKHVQXDSRTGRK-SJORKVTESA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668247 608314336 /nfs/dbraw/zinc/31/43/36/608314336.db2.gz CPKHVQXDSRTGRK-SJORKVTESA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668247 608314338 /nfs/dbraw/zinc/31/43/38/608314338.db2.gz CPKHVQXDSRTGRK-SJORKVTESA-N 0 1 397.552 3.467 20 0 GGADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2c2ccccn2)c1-c1nn[nH]n1 ZINC000826332110 608315309 /nfs/dbraw/zinc/31/53/09/608315309.db2.gz JYZOZZGHNFJQJD-SFHVURJKSA-N 0 1 386.463 3.093 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000826169548 608363248 /nfs/dbraw/zinc/36/32/48/608363248.db2.gz WSLRZGIZGLHVRZ-UHFFFAOYSA-N 0 1 379.464 3.227 20 0 GGADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826372046 608437401 /nfs/dbraw/zinc/43/74/01/608437401.db2.gz DXQKWCIBNNAPOD-MRXNPFEDSA-N 0 1 376.399 3.132 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000826282772 608442789 /nfs/dbraw/zinc/44/27/89/608442789.db2.gz CCOLEONLZFEMDX-KGLIPLIRSA-N 0 1 382.468 3.371 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000824333823 608454387 /nfs/dbraw/zinc/45/43/87/608454387.db2.gz NKAKIWAODWTHDX-LBPRGKRZSA-N 0 1 386.481 3.005 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825654167 608458503 /nfs/dbraw/zinc/45/85/03/608458503.db2.gz QCHPWFFIRBNQNO-CQSZACIVSA-N 0 1 386.481 3.006 20 0 GGADMN Cc1ccc(CN(C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826287515 608464564 /nfs/dbraw/zinc/46/45/64/608464564.db2.gz RVQNAFXGIXYUKL-INIZCTEOSA-N 0 1 390.491 3.017 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562372 608466478 /nfs/dbraw/zinc/46/64/78/608466478.db2.gz GKJOZFUFOAINKZ-LLVKDONJSA-N 0 1 390.369 3.175 20 0 GGADMN CCCCOc1ccc([C@H](C)[NH2+]Cc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000825290661 608468962 /nfs/dbraw/zinc/46/89/62/608468962.db2.gz DHOMLOLXWUIZHQ-AWEZNQCLSA-N 0 1 382.468 3.300 20 0 GGADMN CCCCOc1ccc([C@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000825290661 608468963 /nfs/dbraw/zinc/46/89/63/608468963.db2.gz DHOMLOLXWUIZHQ-AWEZNQCLSA-N 0 1 382.468 3.300 20 0 GGADMN Clc1ccc2nc(CN[C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)cn2c1 ZINC000826352532 608500947 /nfs/dbraw/zinc/50/09/47/608500947.db2.gz FIHNZWCUNSJDMB-KRWDZBQOSA-N 0 1 379.855 3.335 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(C)cc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826264214 608511236 /nfs/dbraw/zinc/51/12/36/608511236.db2.gz GBYWITLVGRRVSG-UONOGXRCSA-N 0 1 382.468 3.371 20 0 GGADMN CCN(Cc1c(C(C)C)nn(C)c1N(C)C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428923 608549858 /nfs/dbraw/zinc/54/98/58/608549858.db2.gz VLUNWDLDDIUWLA-HNNXBMFYSA-N 0 1 396.543 3.373 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000824562359 608551513 /nfs/dbraw/zinc/55/15/13/608551513.db2.gz GDLXSURUVGOSRZ-OAHLLOKOSA-N 0 1 399.458 3.218 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473445 608561332 /nfs/dbraw/zinc/56/13/32/608561332.db2.gz YKDODCZQWWQWEY-UHFFFAOYSA-N 0 1 381.823 3.155 20 0 GGADMN Cc1oc(NC(=O)C[NH2+]C(C2CCCC2)C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000826342182 608578748 /nfs/dbraw/zinc/57/87/48/608578748.db2.gz ZYPWJBHDEOJHHQ-UHFFFAOYSA-N 0 1 386.500 3.354 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cccc(-c3nn[nH]n3)c2F)c1 ZINC000826210838 608644573 /nfs/dbraw/zinc/64/45/73/608644573.db2.gz GZGOEGUMVWSRHH-KRWDZBQOSA-N 0 1 383.427 3.360 20 0 GGADMN COc1ccc([C@@H]2CCCN2Cc2cccc(-c3nn[nH]n3)c2F)cc1OC ZINC000826190294 608644759 /nfs/dbraw/zinc/64/47/59/608644759.db2.gz WVWAWYNOLIXVQV-INIZCTEOSA-N 0 1 383.427 3.360 20 0 GGADMN O[C@H](CN(Cc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1F)c1ccco1 ZINC000826502498 608652818 /nfs/dbraw/zinc/65/28/18/608652818.db2.gz FAKZZOLHZWWWEL-GOSISDBHSA-N 0 1 393.422 3.335 20 0 GGADMN Fc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000826374356 608675259 /nfs/dbraw/zinc/67/52/59/608675259.db2.gz WKOLNLOZJNOTEI-UHFFFAOYSA-N 0 1 378.411 3.239 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824506666 608700451 /nfs/dbraw/zinc/70/04/51/608700451.db2.gz PNYSKJJFOLWGKA-CHWSQXEVSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824506666 608700455 /nfs/dbraw/zinc/70/04/55/608700455.db2.gz PNYSKJJFOLWGKA-CHWSQXEVSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506666 608700459 /nfs/dbraw/zinc/70/04/59/608700459.db2.gz PNYSKJJFOLWGKA-CHWSQXEVSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506666 608700463 /nfs/dbraw/zinc/70/04/63/608700463.db2.gz PNYSKJJFOLWGKA-CHWSQXEVSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824899665 608711482 /nfs/dbraw/zinc/71/14/82/608711482.db2.gz MRXQSTSGXIGDAZ-FZKQIMNGSA-N 0 1 377.427 3.237 20 0 GGADMN Cc1ccc(CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]2CCCO2)cc1 ZINC000826287388 608729164 /nfs/dbraw/zinc/72/91/64/608729164.db2.gz NBOWQIKVMPJMNL-KRWDZBQOSA-N 0 1 383.521 3.460 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]2CCCO2)cc1 ZINC000826287388 608729165 /nfs/dbraw/zinc/72/91/65/608729165.db2.gz NBOWQIKVMPJMNL-KRWDZBQOSA-N 0 1 383.521 3.460 20 0 GGADMN Cc1ccc(CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]2CCCO2)cc1 ZINC000826287388 608729167 /nfs/dbraw/zinc/72/91/67/608729167.db2.gz NBOWQIKVMPJMNL-KRWDZBQOSA-N 0 1 383.521 3.460 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]2CCCO2)cc1 ZINC000826287388 608729169 /nfs/dbraw/zinc/72/91/69/608729169.db2.gz NBOWQIKVMPJMNL-KRWDZBQOSA-N 0 1 383.521 3.460 20 0 GGADMN FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]n1 ZINC000826368493 608740833 /nfs/dbraw/zinc/74/08/33/608740833.db2.gz RJNPEHOVYZXXTC-VIFPVBQESA-N 0 1 383.403 3.050 20 0 GGADMN FC(F)(F)c1cc([C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]n1 ZINC000826368493 608740834 /nfs/dbraw/zinc/74/08/34/608740834.db2.gz RJNPEHOVYZXXTC-VIFPVBQESA-N 0 1 383.403 3.050 20 0 GGADMN FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)[nH]n1 ZINC000826368493 608740836 /nfs/dbraw/zinc/74/08/36/608740836.db2.gz RJNPEHOVYZXXTC-VIFPVBQESA-N 0 1 383.403 3.050 20 0 GGADMN FC(F)(F)c1cc([C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)[nH]n1 ZINC000826368493 608740838 /nfs/dbraw/zinc/74/08/38/608740838.db2.gz RJNPEHOVYZXXTC-VIFPVBQESA-N 0 1 383.403 3.050 20 0 GGADMN Cc1[nH]nc2cc(NC(=O)CCCCOc3cccc(-c4nn[nH]n4)c3)ccc12 ZINC000826322385 608828971 /nfs/dbraw/zinc/82/89/71/608828971.db2.gz KHTBAJBZSOWRPV-UHFFFAOYSA-N 0 1 391.435 3.239 20 0 GGADMN COc1ccc(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1OC ZINC000826193844 608856666 /nfs/dbraw/zinc/85/66/66/608856666.db2.gz RLNAONNPXPMYEW-UHFFFAOYSA-N 0 1 377.448 3.173 20 0 GGADMN Cc1ccc(-c2n[nH]cc2CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000826273367 608858164 /nfs/dbraw/zinc/85/81/64/608858164.db2.gz ANBRPMUSKUNCJV-UHFFFAOYSA-N 0 1 387.447 3.448 20 0 GGADMN C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824599859 609153415 /nfs/dbraw/zinc/15/34/15/609153415.db2.gz TUNRSYBCFNOCRS-JTQLQIEISA-N 0 1 396.348 3.149 20 0 GGADMN C[C@H](NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000824537761 609249695 /nfs/dbraw/zinc/24/96/95/609249695.db2.gz GEHDFUGSOCIBOB-INIZCTEOSA-N 0 1 385.475 3.451 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](Cc4ccccc4-c4nn[nH]n4)C3)n2)cc1 ZINC000826519068 609293978 /nfs/dbraw/zinc/29/39/78/609293978.db2.gz ISAPXNJCASQOSU-KRWDZBQOSA-N 0 1 386.463 3.031 20 0 GGADMN COc1cc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)ccc1OC(F)F ZINC000826179675 609324059 /nfs/dbraw/zinc/32/40/59/609324059.db2.gz YSWHENBGLKTOQW-SNVBAGLBSA-N 0 1 393.369 3.467 20 0 GGADMN COc1ccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1OC(F)F ZINC000826202305 609325394 /nfs/dbraw/zinc/32/53/94/609325394.db2.gz VSBKKTOYIBNKII-JTQLQIEISA-N 0 1 393.369 3.467 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826455626 609329847 /nfs/dbraw/zinc/32/98/47/609329847.db2.gz WVUSNJQOKKUUGB-UHFFFAOYSA-N 0 1 398.386 3.183 20 0 GGADMN C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc(-c2nn[nH]n2)cc1F ZINC000824612238 609338486 /nfs/dbraw/zinc/33/84/86/609338486.db2.gz LHRYFPNEKUHDEJ-CYBMUJFWSA-N 0 1 391.454 3.471 20 0 GGADMN COCCCOc1cccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000826156946 609344411 /nfs/dbraw/zinc/34/44/11/609344411.db2.gz AZGIBPRAURVJPI-AWEZNQCLSA-N 0 1 385.443 3.272 20 0 GGADMN C[C@H](c1nc2ccccc2o1)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824779419 609358395 /nfs/dbraw/zinc/35/83/95/609358395.db2.gz VGVHJHKAKHRCNK-OAHLLOKOSA-N 0 1 389.463 3.281 20 0 GGADMN CC(C)(C)OC1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824119901 609363230 /nfs/dbraw/zinc/36/32/30/609363230.db2.gz SRXHHWUTNAZTHO-UHFFFAOYSA-N 0 1 394.317 3.409 20 0 GGADMN CC(C)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297206 609434058 /nfs/dbraw/zinc/43/40/58/609434058.db2.gz RZEXRTIAPCTTOW-FUHWJXTLSA-N 0 1 385.422 3.176 20 0 GGADMN CCN(CCNC(=O)Nc1nnc(CC(F)(F)F)s1)CCC(F)(F)F ZINC000494652838 650813705 /nfs/dbraw/zinc/81/37/05/650813705.db2.gz XQMXFPWQGNRTGD-UHFFFAOYSA-N 0 1 393.357 3.039 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cn3c(cccc3C)n2)N2CCCC2)cc1 ZINC000052951381 1406239278 /nfs/dbraw/zinc/23/92/78/1406239278.db2.gz QAVCVRTVIGZYPV-HXUWFJFHSA-N 0 1 378.476 3.218 20 0 GGADMN COCCOc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000052958975 1406243205 /nfs/dbraw/zinc/24/32/05/1406243205.db2.gz BAKLLGMRRSNWBG-UHFFFAOYSA-N 0 1 383.492 3.024 20 0 GGADMN CC(=O)Nc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1F ZINC000052960178 1406244556 /nfs/dbraw/zinc/24/45/56/1406244556.db2.gz OLUBFLMXDFPGOV-KRWDZBQOSA-N 0 1 375.469 3.413 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000052968721 1406245965 /nfs/dbraw/zinc/24/59/65/1406245965.db2.gz RIQRMSPWSVRAAN-UHFFFAOYSA-N 0 1 387.911 3.268 20 0 GGADMN CCCCCNC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020377 1406262771 /nfs/dbraw/zinc/26/27/71/1406262771.db2.gz KTQSYCNEGMRRBS-AWEZNQCLSA-N 0 1 395.931 3.391 20 0 GGADMN CCCCCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020374 1406263121 /nfs/dbraw/zinc/26/31/21/1406263121.db2.gz KTQSYCNEGMRRBS-CQSZACIVSA-N 0 1 395.931 3.391 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CN(C)CCc2ccccc2)c1 ZINC000053048835 1406273203 /nfs/dbraw/zinc/27/32/03/1406273203.db2.gz QPUGUSUPJCUFRQ-GOSISDBHSA-N 0 1 381.520 3.462 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(CNC(=O)CN(C)CCc2ccccc2)c1 ZINC000053048834 1406273958 /nfs/dbraw/zinc/27/39/58/1406273958.db2.gz HKBQQZXTBUEXOY-SFHVURJKSA-N 0 1 381.520 3.006 20 0 GGADMN COC(=O)c1oc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1C ZINC000053049990 1406274625 /nfs/dbraw/zinc/27/46/25/1406274625.db2.gz VBEBZIAHDYRSJC-UHFFFAOYSA-N 0 1 388.439 3.042 20 0 GGADMN CCN(CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000053088559 1406286265 /nfs/dbraw/zinc/28/62/65/1406286265.db2.gz HTYBZHHHQCFNBI-QGZVFWFLSA-N 0 1 385.483 3.113 20 0 GGADMN CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000053089143 1406287231 /nfs/dbraw/zinc/28/72/31/1406287231.db2.gz CUAMUNIEKCIVBJ-INIZCTEOSA-N 0 1 397.494 3.417 20 0 GGADMN O=C(Cn1ccc2ccc(Cl)cc21)NC1CCN(Cc2ccncc2)CC1 ZINC000053092108 1406288207 /nfs/dbraw/zinc/28/82/07/1406288207.db2.gz GJRVSYWFACYMAG-UHFFFAOYSA-N 0 1 382.895 3.471 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cn3ccc4ccc(Cl)cc43)nc2)CC1 ZINC000053092824 1406289869 /nfs/dbraw/zinc/28/98/69/1406289869.db2.gz QEFSEHLTWSTGSG-UHFFFAOYSA-N 0 1 383.883 3.080 20 0 GGADMN CCOc1ccc(NC(=O)CNCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000053097701 1406291055 /nfs/dbraw/zinc/29/10/55/1406291055.db2.gz UBCFWOOQOVPOOA-UHFFFAOYSA-N 0 1 380.391 3.424 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000053110879 1406293778 /nfs/dbraw/zinc/29/37/78/1406293778.db2.gz NTSJYNPOUGGWND-OALUTQOASA-N 0 1 399.466 3.115 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1N1CCNC1=O ZINC000053110915 1406294107 /nfs/dbraw/zinc/29/41/07/1406294107.db2.gz PXCGRCJODYFANC-IBGZPJMESA-N 0 1 396.491 3.075 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000053110882 1406294417 /nfs/dbraw/zinc/29/44/17/1406294417.db2.gz NTSJYNPOUGGWND-RTBURBONSA-N 0 1 399.466 3.115 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(NC(C)=O)ccc2F)N2CCCC2)c1 ZINC000053119870 1406298803 /nfs/dbraw/zinc/29/88/03/1406298803.db2.gz WGAYVKQBTWNLLM-OAQYLSRUSA-N 0 1 399.466 3.360 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(NC(C)=O)ccc2F)N2CCCC2)c1 ZINC000053119869 1406298938 /nfs/dbraw/zinc/29/89/38/1406298938.db2.gz WGAYVKQBTWNLLM-NRFANRHFSA-N 0 1 399.466 3.360 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1n[nH]c(C)c1Br ZINC000053151660 1406309332 /nfs/dbraw/zinc/30/93/32/1406309332.db2.gz IJYQXMHBWFOVHV-UHFFFAOYSA-N 0 1 382.258 3.160 20 0 GGADMN Cc1n[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1Br ZINC000053141904 1406306073 /nfs/dbraw/zinc/30/60/73/1406306073.db2.gz QZGWMIJAFYSVQT-NSHDSACASA-N 0 1 383.315 3.109 20 0 GGADMN Cc1ncc(CN(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)s1 ZINC000053154501 1406310659 /nfs/dbraw/zinc/31/06/59/1406310659.db2.gz QWJABKCLHYDDEJ-UHFFFAOYSA-N 0 1 383.399 3.417 20 0 GGADMN Cc1[nH]nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1Br ZINC000053183964 1406319422 /nfs/dbraw/zinc/31/94/22/1406319422.db2.gz FWPMQPQUHBJXHZ-UHFFFAOYSA-N 0 1 387.621 3.314 20 0 GGADMN COc1ccc2nc(SCC(=O)NC[C@H]3CCN(c4ccccc4)C3)[nH]c2c1 ZINC000053185534 1406319501 /nfs/dbraw/zinc/31/95/01/1406319501.db2.gz CKCKAZLWTTZLGV-OAHLLOKOSA-N 0 1 396.516 3.306 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000053223631 1406332171 /nfs/dbraw/zinc/33/21/71/1406332171.db2.gz ILJPVSPLNSTTBK-UHFFFAOYSA-N 0 1 396.535 3.251 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000053237640 1406340255 /nfs/dbraw/zinc/34/02/55/1406340255.db2.gz CQOHZFIDSJZMRM-UHFFFAOYSA-N 0 1 392.475 3.054 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCN(CC3CC3)CC2)cs1 ZINC000053237852 1406340753 /nfs/dbraw/zinc/34/07/53/1406340753.db2.gz LGKXLTYALPZKAQ-UHFFFAOYSA-N 0 1 396.560 3.035 20 0 GGADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)NCCOc1cccc(F)c1 ZINC000053264455 1406347501 /nfs/dbraw/zinc/34/75/01/1406347501.db2.gz OWOYHNVBWALYDD-UHFFFAOYSA-N 0 1 390.415 3.037 20 0 GGADMN COCc1cccc(CNC(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000053264691 1406346787 /nfs/dbraw/zinc/34/67/87/1406346787.db2.gz ZAATVIRLHSODRI-UHFFFAOYSA-N 0 1 386.452 3.166 20 0 GGADMN C[C@H]1CCCC[C@H]1OCCNC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000053264634 1406346832 /nfs/dbraw/zinc/34/68/32/1406346832.db2.gz XZFCPPNOTQDVPN-XJKSGUPXSA-N 0 1 392.500 3.414 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)N2CCCC2)cc1 ZINC000053266835 1406347939 /nfs/dbraw/zinc/34/79/39/1406347939.db2.gz CBOQLUJMKUFPFY-OAQYLSRUSA-N 0 1 393.487 3.147 20 0 GGADMN Cc1cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)ccc1N1CCN(C)CC1 ZINC000053272355 1406352201 /nfs/dbraw/zinc/35/22/01/1406352201.db2.gz HQTAEBVPQRWULJ-OAQYLSRUSA-N 0 1 378.476 3.203 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2csc(-c3ccccn3)n2)N(C)C)c1 ZINC000053271253 1406350850 /nfs/dbraw/zinc/35/08/50/1406350850.db2.gz OZONWAFDWPYDQQ-IBGZPJMESA-N 0 1 396.516 3.175 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)N(C)C)c1 ZINC000053272818 1406351999 /nfs/dbraw/zinc/35/19/99/1406351999.db2.gz SFZSNYJGVQQOES-NRFANRHFSA-N 0 1 378.476 3.288 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)N(C)C)c1 ZINC000053272821 1406352583 /nfs/dbraw/zinc/35/25/83/1406352583.db2.gz SFZSNYJGVQQOES-OAQYLSRUSA-N 0 1 378.476 3.288 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2oc3ccccc3c2COC(C)C)C1 ZINC000053285304 1406355953 /nfs/dbraw/zinc/35/59/53/1406355953.db2.gz JOGYYYRTHDWWOQ-QGZVFWFLSA-N 0 1 388.508 3.444 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3ccc(F)c(NC(C)=O)c3)CC2)cc1 ZINC000053303499 1406359316 /nfs/dbraw/zinc/35/93/16/1406359316.db2.gz ZIAUOQOOWZABDE-UHFFFAOYSA-N 0 1 399.466 3.141 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)CCC(C)C ZINC000053363989 1406377294 /nfs/dbraw/zinc/37/72/94/1406377294.db2.gz ZFZSPQBTBNSWGK-UHFFFAOYSA-N 0 1 380.558 3.175 20 0 GGADMN Cc1ccc([C@H](OC[C@@H](O)CN(C)Cc2cnn(C)c2)c2ccccc2)cc1 ZINC000053400906 1406385078 /nfs/dbraw/zinc/38/50/78/1406385078.db2.gz UABFNGQYCBYNBA-XZOQPEGZSA-N 0 1 379.504 3.327 20 0 GGADMN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CSc2nc(N)cc(N)n2)cc1 ZINC000053451017 1406397093 /nfs/dbraw/zinc/39/70/93/1406397093.db2.gz OOIODWCGGHIOSN-OAHLLOKOSA-N 0 1 385.537 3.394 20 0 GGADMN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc4[nH]nnc4c3)c2)cc1 ZINC000053449330 1406397536 /nfs/dbraw/zinc/39/75/36/1406397536.db2.gz AGHHNTLEUZSFOC-UHFFFAOYSA-N 0 1 399.454 3.126 20 0 GGADMN Cc1cc(C)cc(N2CC[C@H](C(=O)NC[C@@H](c3ccsc3)N(C)C)C2=O)c1 ZINC000053459242 1406399548 /nfs/dbraw/zinc/39/95/48/1406399548.db2.gz YXRDTWRPPPNXQJ-MOPGFXCFSA-N 0 1 385.533 3.137 20 0 GGADMN Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1N1CCN(C)CC1 ZINC000053474164 1406407923 /nfs/dbraw/zinc/40/79/23/1406407923.db2.gz ZZQIYLWNVXWNAB-UHFFFAOYSA-N 0 1 392.503 3.126 20 0 GGADMN Cc1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)ccc1N1CCN(C)CC1 ZINC000053474323 1406408174 /nfs/dbraw/zinc/40/81/74/1406408174.db2.gz DFPTZXCUNCRPIH-UHFFFAOYSA-N 0 1 392.503 3.348 20 0 GGADMN Cc1nc(CSCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cs1 ZINC000053474504 1406409117 /nfs/dbraw/zinc/40/91/17/1406409117.db2.gz GCJVWSZLXRJYNU-UHFFFAOYSA-N 0 1 390.578 3.384 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCOc3ccc(F)cc3)n2)cc1 ZINC000053479199 1406411205 /nfs/dbraw/zinc/41/12/05/1406411205.db2.gz UUXWDHVVILHWOD-UHFFFAOYSA-N 0 1 386.452 3.207 20 0 GGADMN COCc1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000053479118 1406411412 /nfs/dbraw/zinc/41/14/12/1406411412.db2.gz LRHVAYCTLJKFMA-UHFFFAOYSA-N 0 1 382.489 3.335 20 0 GGADMN COCc1cccc(CNC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c1 ZINC000053484753 1406414275 /nfs/dbraw/zinc/41/42/75/1406414275.db2.gz WUCJYRXKTOKLAM-UHFFFAOYSA-N 0 1 398.488 3.035 20 0 GGADMN CCOc1cccc(CNC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c1 ZINC000053484774 1406414589 /nfs/dbraw/zinc/41/45/89/1406414589.db2.gz SESXNLWHUBQKPN-UHFFFAOYSA-N 0 1 398.488 3.288 20 0 GGADMN CC(C)(C)CC(=O)NCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000053500793 1406415445 /nfs/dbraw/zinc/41/54/45/1406415445.db2.gz ZLUCAFQUVKOWAJ-KRWDZBQOSA-N 0 1 379.932 3.146 20 0 GGADMN Cc1ccccc1CN1CCCN(C(=O)CSc2ncc3ccccn32)CC1 ZINC000053509274 1406419526 /nfs/dbraw/zinc/41/95/26/1406419526.db2.gz QIXTUKJXSMZXRJ-UHFFFAOYSA-N 0 1 394.544 3.469 20 0 GGADMN CNC(=O)c1ccc(CN(C)C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000053523960 1406425038 /nfs/dbraw/zinc/42/50/38/1406425038.db2.gz KWDZHSUCSYGFON-LJQANCHMSA-N 0 1 398.507 3.008 20 0 GGADMN CNC(=O)c1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000053523956 1406425171 /nfs/dbraw/zinc/42/51/71/1406425171.db2.gz KWDZHSUCSYGFON-IBGZPJMESA-N 0 1 398.507 3.008 20 0 GGADMN CN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000053524224 1406425519 /nfs/dbraw/zinc/42/55/19/1406425519.db2.gz YDOGXGPYNZCCGH-KRWDZBQOSA-N 0 1 385.464 3.377 20 0 GGADMN C[C@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccc(F)c(F)c1 ZINC000053526031 1406426221 /nfs/dbraw/zinc/42/62/21/1406426221.db2.gz VDCCRHZKZJVWOU-HNNXBMFYSA-N 0 1 381.467 3.360 20 0 GGADMN O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053527572 1406426445 /nfs/dbraw/zinc/42/64/45/1406426445.db2.gz JZFYAONKLVTHNG-UHFFFAOYSA-N 0 1 393.382 3.017 20 0 GGADMN C[C@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1F ZINC000053526298 1406426493 /nfs/dbraw/zinc/42/64/93/1406426493.db2.gz RFCFWHHGGQYEOK-HNNXBMFYSA-N 0 1 381.467 3.360 20 0 GGADMN Cc1cccc(N2CCN(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c1C ZINC000053530046 1406428623 /nfs/dbraw/zinc/42/86/23/1406428623.db2.gz NCCCUFJSIORMQQ-IBGZPJMESA-N 0 1 386.565 3.499 20 0 GGADMN Cc1cccc(N2CCN(C(=O)NC[C@H](c3cccs3)N(C)C)CC2)c1C ZINC000053530050 1406428800 /nfs/dbraw/zinc/42/88/00/1406428800.db2.gz NCCCUFJSIORMQQ-LJQANCHMSA-N 0 1 386.565 3.499 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000053534707 1406431010 /nfs/dbraw/zinc/43/10/10/1406431010.db2.gz JJIGHCSHZSGEAS-QGZVFWFLSA-N 0 1 375.444 3.406 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@H](c2ccco2)N2CCCC2)c(OC)c1 ZINC000053534066 1406431102 /nfs/dbraw/zinc/43/11/02/1406431102.db2.gz FPRYOABKZHYKRY-GOSISDBHSA-N 0 1 387.480 3.275 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000053533916 1406431215 /nfs/dbraw/zinc/43/12/15/1406431215.db2.gz QLVOLYBKYRVGHE-GOSISDBHSA-N 0 1 388.537 3.005 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCOc2cccc(C)c2)N(C)C)c1 ZINC000053539951 1406433508 /nfs/dbraw/zinc/43/35/08/1406433508.db2.gz YKATYJKRJJNRML-OAQYLSRUSA-N 0 1 385.508 3.327 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCOc2ccccc2F)N(C)C)c1 ZINC000053539943 1406432982 /nfs/dbraw/zinc/43/29/82/1406432982.db2.gz ASTPQLKODLFMHX-LJQANCHMSA-N 0 1 389.471 3.157 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1OC ZINC000053538558 1406433265 /nfs/dbraw/zinc/43/32/65/1406433265.db2.gz FQVKHGVAQKEFTE-GOSISDBHSA-N 0 1 389.471 3.287 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(OC)c1 ZINC000053538562 1406433289 /nfs/dbraw/zinc/43/32/89/1406433289.db2.gz VZSFSQMTROROOI-IBGZPJMESA-N 0 1 389.471 3.287 20 0 GGADMN Cc1cccc(N2CCN(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2)c1 ZINC000053538495 1406433388 /nfs/dbraw/zinc/43/33/88/1406433388.db2.gz PXTQRKGFOXKXHH-OAQYLSRUSA-N 0 1 384.499 3.269 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(F)c1 ZINC000053538449 1406433436 /nfs/dbraw/zinc/43/34/36/1406433436.db2.gz LPOKAERTGAGMRF-HXUWFJFHSA-N 0 1 388.462 3.099 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCN(c3ccccc3C)CC2)N(C)C)c1 ZINC000053539317 1406433656 /nfs/dbraw/zinc/43/36/56/1406433656.db2.gz SMKKHRQQVZIBKX-JOCHJYFZSA-N 0 1 396.535 3.138 20 0 GGADMN COc1ccc(OCCN(C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000053538889 1406433750 /nfs/dbraw/zinc/43/37/50/1406433750.db2.gz SBYBKIOJYRQOLL-FQEVSTJZSA-N 0 1 389.471 3.157 20 0 GGADMN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000053569753 1406445711 /nfs/dbraw/zinc/44/57/11/1406445711.db2.gz PNANCNWKXIYEKH-SFHVURJKSA-N 0 1 388.552 3.322 20 0 GGADMN COc1ccc(CCNC(=S)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1 ZINC000053583481 1406452882 /nfs/dbraw/zinc/45/28/82/1406452882.db2.gz ICTFSLONNZPNNY-UHFFFAOYSA-N 0 1 398.576 3.285 20 0 GGADMN COc1cc(CN[C@H](C)C(N)=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000053601826 1406457235 /nfs/dbraw/zinc/45/72/35/1406457235.db2.gz XNMIFJHLGQQWDP-GFCCVEGCSA-N 0 1 382.382 3.256 20 0 GGADMN CCc1nc(SCC(=O)NCc2cccc(COCc3ccco3)c2)n[nH]1 ZINC000053674587 1406475805 /nfs/dbraw/zinc/47/58/05/1406475805.db2.gz SQYYKOWMPKIZMJ-UHFFFAOYSA-N 0 1 386.477 3.085 20 0 GGADMN CCc1n[nH]c(SCC(=O)NCc2cccc(COCc3ccco3)c2)n1 ZINC000053674587 1406475808 /nfs/dbraw/zinc/47/58/08/1406475808.db2.gz SQYYKOWMPKIZMJ-UHFFFAOYSA-N 0 1 386.477 3.085 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1 ZINC000053673811 1406475855 /nfs/dbraw/zinc/47/58/55/1406475855.db2.gz NKTCLYWPBUXYFR-ZDUSSCGKSA-N 0 1 395.488 3.335 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000053673811 1406475860 /nfs/dbraw/zinc/47/58/60/1406475860.db2.gz NKTCLYWPBUXYFR-ZDUSSCGKSA-N 0 1 395.488 3.335 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(COCCOc3ccccc3)c2)[nH]1 ZINC000053673997 1406475272 /nfs/dbraw/zinc/47/52/72/1406475272.db2.gz GOETWJJKOUAZEJ-UHFFFAOYSA-N 0 1 398.488 3.440 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(COCCOc3ccccc3)c2)n1 ZINC000053673997 1406475282 /nfs/dbraw/zinc/47/52/82/1406475282.db2.gz GOETWJJKOUAZEJ-UHFFFAOYSA-N 0 1 398.488 3.440 20 0 GGADMN COc1cc([C@@H](C)NC(=O)CSc2nnc(C)[nH]2)ccc1OCC(C)C ZINC000053673585 1406475507 /nfs/dbraw/zinc/47/55/07/1406475507.db2.gz YLHMOSBIHYTCFN-GFCCVEGCSA-N 0 1 378.498 3.126 20 0 GGADMN COc1cc([C@@H](C)NC(=O)CSc2nc(C)n[nH]2)ccc1OCC(C)C ZINC000053673585 1406475515 /nfs/dbraw/zinc/47/55/15/1406475515.db2.gz YLHMOSBIHYTCFN-GFCCVEGCSA-N 0 1 378.498 3.126 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)[nH]1 ZINC000053673848 1406475725 /nfs/dbraw/zinc/47/57/25/1406475725.db2.gz XCYJYVPVQZITGP-UHFFFAOYSA-N 0 1 384.509 3.386 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)n1 ZINC000053673848 1406475730 /nfs/dbraw/zinc/47/57/30/1406475730.db2.gz XCYJYVPVQZITGP-UHFFFAOYSA-N 0 1 384.509 3.386 20 0 GGADMN Cc1nnc(SCC(=O)NCc2ccccc2COCc2ccccc2)[nH]1 ZINC000053673722 1406475928 /nfs/dbraw/zinc/47/59/28/1406475928.db2.gz PIFGIWFDBAODRO-UHFFFAOYSA-N 0 1 382.489 3.238 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2ccccc2COCc2ccccc2)n1 ZINC000053673722 1406475933 /nfs/dbraw/zinc/47/59/33/1406475933.db2.gz PIFGIWFDBAODRO-UHFFFAOYSA-N 0 1 382.489 3.238 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2cccc3cnccc32)C1 ZINC000053686222 1406479071 /nfs/dbraw/zinc/47/90/71/1406479071.db2.gz QDZIADSLWYCFSJ-APWZRJJASA-N 0 1 381.501 3.349 20 0 GGADMN C=CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1OC ZINC000053687360 1406480169 /nfs/dbraw/zinc/48/01/69/1406480169.db2.gz XNKZFQUBQIGHMD-UHFFFAOYSA-N 0 1 381.476 3.264 20 0 GGADMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cnn1-c1ccccc1 ZINC000053704384 1406482218 /nfs/dbraw/zinc/48/22/18/1406482218.db2.gz WRXXGHVQYPYBNL-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN C[C@H](OCCCNC(=O)CSc1nc(C(C)(C)C)n[nH]1)c1ccccc1 ZINC000053715602 1406486704 /nfs/dbraw/zinc/48/67/04/1406486704.db2.gz VCIRTWHDUVJRSO-AWEZNQCLSA-N 0 1 376.526 3.478 20 0 GGADMN CC(C)(C)c1n[nH]c(SCC(=O)NCC2(c3ccccc3)CCOCC2)n1 ZINC000053715971 1406486981 /nfs/dbraw/zinc/48/69/81/1406486981.db2.gz AKFIVZVUQWGPOG-UHFFFAOYSA-N 0 1 388.537 3.059 20 0 GGADMN O=C(CSc1ccc2c(c1)OCCO2)N1CCCN(Cc2ccccc2)CC1 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0 GGADMN C[C@H](NCc1ccccc1CN1CCCC1=O)C(=O)NCc1ccccc1Cl ZINC000027005256 1399963524 /nfs/dbraw/zinc/96/35/24/1399963524.db2.gz FUDIDBQDXPXJIB-INIZCTEOSA-N 0 1 399.922 3.257 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038774 1399970679 /nfs/dbraw/zinc/97/06/79/1399970679.db2.gz UBHDKCMNSPAMOF-SJORKVTESA-N 0 1 395.503 3.494 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027036836 1399970878 /nfs/dbraw/zinc/97/08/78/1399970878.db2.gz KBUOCTACAXJBRC-ZIAGYGMSSA-N 0 1 383.448 3.094 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027037142 1399970919 /nfs/dbraw/zinc/97/09/19/1399970919.db2.gz QYQXOTMWOWQXFR-JYJNAYRXSA-N 0 1 381.476 3.242 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038766 1399971299 /nfs/dbraw/zinc/97/12/99/1399971299.db2.gz UBHDKCMNSPAMOF-IRXDYDNUSA-N 0 1 395.503 3.494 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038734 1399971384 /nfs/dbraw/zinc/97/13/84/1399971384.db2.gz MEDHMMGHEYWLJU-CVEARBPZSA-N 0 1 381.476 3.024 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027037150 1399971434 /nfs/dbraw/zinc/97/14/34/1399971434.db2.gz QYQXOTMWOWQXFR-PMPSAXMXSA-N 0 1 381.476 3.242 20 0 GGADMN CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000027062167 1399976441 /nfs/dbraw/zinc/97/64/41/1399976441.db2.gz ACBJYOZIRDUJRB-UHFFFAOYSA-N 0 1 394.431 3.014 20 0 GGADMN O=C(NCCNCc1cc(Cl)ccc1OCc1cccnc1)c1ccco1 ZINC000027217547 1400005441 /nfs/dbraw/zinc/00/54/41/1400005441.db2.gz SEVWATJVIOJIGP-UHFFFAOYSA-N 0 1 385.851 3.427 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCCCCNC(C)=O)N1CCCCC1 ZINC000055752014 1407073980 /nfs/dbraw/zinc/07/39/80/1407073980.db2.gz UQMMQDAFWXHGAU-FQEVSTJZSA-N 0 1 389.540 3.035 20 0 GGADMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000027255557 1400010462 /nfs/dbraw/zinc/01/04/62/1400010462.db2.gz ANESMPCNVQOHHN-SFHVURJKSA-N 0 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O=C(CCCNC(=O)c1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000027498511 1400047857 /nfs/dbraw/zinc/04/78/57/1400047857.db2.gz WVWQNLXZKHAQHW-IBGZPJMESA-N 0 1 383.492 3.133 20 0 GGADMN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000027553875 1400055889 /nfs/dbraw/zinc/05/58/89/1400055889.db2.gz FPTZTRYNCGDFPH-LZLYRXPVSA-N 0 1 387.524 3.126 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000027553833 1400056258 /nfs/dbraw/zinc/05/62/58/1400056258.db2.gz VPUXDCUKNDUZCN-AEFFLSMTSA-N 0 1 387.524 3.222 20 0 GGADMN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000027568974 1400057685 /nfs/dbraw/zinc/05/76/85/1400057685.db2.gz NGFVEPIYBPWWKK-LOXVZWDBSA-N 0 1 395.547 3.422 20 0 GGADMN COc1ccc(OCC(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1 ZINC000055752064 1407074114 /nfs/dbraw/zinc/07/41/14/1407074114.db2.gz YBOMLJNXWHSTLW-NRFANRHFSA-N 0 1 398.503 3.426 20 0 GGADMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000027575470 1400060408 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COc1cc(OC)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1OC ZINC000027604854 1400064580 /nfs/dbraw/zinc/06/45/80/1400064580.db2.gz CUHYXCKKHVFMIF-HNNXBMFYSA-N 0 1 390.505 3.341 20 0 GGADMN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000027597710 1400064845 /nfs/dbraw/zinc/06/48/45/1400064845.db2.gz DAZRTUSJLRAZIS-UHFFFAOYSA-N 0 1 376.388 3.428 20 0 GGADMN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000027598290 1400064955 /nfs/dbraw/zinc/06/49/55/1400064955.db2.gz DHNKWRNVLNRGSW-AWEZNQCLSA-N 0 1 396.534 3.299 20 0 GGADMN Cc1cccc(NC(=O)CSCC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000027675514 1400074175 /nfs/dbraw/zinc/07/41/75/1400074175.db2.gz QAWPHMKFGYFLRJ-MRXNPFEDSA-N 0 1 391.562 3.147 20 0 GGADMN CCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3cccs3)N(C)C)CC2=O)cc1 ZINC000027675154 1400074218 /nfs/dbraw/zinc/07/42/18/1400074218.db2.gz OVLIZWFZYXYTQP-FUHWJXTLSA-N 0 1 385.533 3.083 20 0 GGADMN CN(C)[C@H](CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000027677556 1400076170 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20 0 GGADMN Cc1cc2ncc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)c(C)n2n1 ZINC000028007928 1400117157 /nfs/dbraw/zinc/11/71/57/1400117157.db2.gz XCKGEMCZZUNQTK-UHFFFAOYSA-N 0 1 398.898 3.004 20 0 GGADMN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c(F)c1 ZINC000028006749 1400117242 /nfs/dbraw/zinc/11/72/42/1400117242.db2.gz XKPGTFPJVSFFTA-UHFFFAOYSA-N 0 1 377.847 3.492 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000028005937 1400117448 /nfs/dbraw/zinc/11/74/48/1400117448.db2.gz AECPXYSTYTUMEY-UHFFFAOYSA-N 0 1 397.862 3.451 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000028107886 1400129843 /nfs/dbraw/zinc/12/98/43/1400129843.db2.gz VOOZGYGLRNTHPY-IBGZPJMESA-N 0 1 393.531 3.236 20 0 GGADMN O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)NCC1(c2ccccc2)CC1 ZINC000028171411 1400135703 /nfs/dbraw/zinc/13/57/03/1400135703.db2.gz CHKVJSBGGCYDFJ-UHFFFAOYSA-N 0 1 395.522 3.181 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccccc2Cl)cc(OC)c1OCC(N)=O ZINC000028303656 1400148075 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1 386.565 3.016 20 0 GGADMN Cc1ccc(CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C2CC2)o1 ZINC000043228163 1403730159 /nfs/dbraw/zinc/73/01/59/1403730159.db2.gz QPCQWVUFIONSLJ-UHFFFAOYSA-N 0 1 396.535 3.080 20 0 GGADMN O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](c1ccccc1)c1ccccn1 ZINC000043296660 1403742635 /nfs/dbraw/zinc/74/26/35/1403742635.db2.gz BEHZBVMLUWVXPM-OAQYLSRUSA-N 0 1 397.438 3.363 20 0 GGADMN O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043296658 1403742677 /nfs/dbraw/zinc/74/26/77/1403742677.db2.gz BEHZBVMLUWVXPM-NRFANRHFSA-N 0 1 397.438 3.363 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000043302902 1403743775 /nfs/dbraw/zinc/74/37/75/1403743775.db2.gz ZHBYXEKZTVORPH-VXGBXAGGSA-N 0 1 379.382 3.482 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](NCC(C)(C)N2CCOCC2)c2ccccc2)cc1 ZINC000043302181 1403743861 /nfs/dbraw/zinc/74/38/61/1403743861.db2.gz YSHXDJVUGOEXEH-NRFANRHFSA-N 0 1 381.520 3.375 20 0 GGADMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)NNC(=O)c1ccccc1 ZINC000043307302 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GGADMN CCc1nnc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000043344635 1403751052 /nfs/dbraw/zinc/75/10/52/1403751052.db2.gz RAVWZPCNOAXCEJ-ZIAGYGMSSA-N 0 1 389.525 3.031 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1nnc(Cc2ccccc2)s1 ZINC000043363049 1403753278 /nfs/dbraw/zinc/75/32/78/1403753278.db2.gz BLLKRHSFJGMRBK-UHFFFAOYSA-N 0 1 393.516 3.309 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2nnc(C)s2)N2CCCCC2)cc1 ZINC000043412446 1403758560 /nfs/dbraw/zinc/75/85/60/1403758560.db2.gz LJKNJUHPKPNXKM-INIZCTEOSA-N 0 1 375.498 3.204 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)N1CCOCC1 ZINC000043484158 1403768828 /nfs/dbraw/zinc/76/88/28/1403768828.db2.gz JGHCHJVSXTXMSC-SFHVURJKSA-N 0 1 384.467 3.084 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Cc1ccc(OC(F)F)cc1)N1CCOCC1 ZINC000043484157 1403768898 /nfs/dbraw/zinc/76/88/98/1403768898.db2.gz JGHCHJVSXTXMSC-GOSISDBHSA-N 0 1 384.467 3.084 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000043487103 1403770548 /nfs/dbraw/zinc/77/05/48/1403770548.db2.gz BMKNEESOCAGYQS-UHFFFAOYSA-N 0 1 380.492 3.128 20 0 GGADMN O=C(Nc1ccccc1C(=O)N1CCCCC1)N1CCN(C2CCCC2)CC1 ZINC000043488170 1403771591 /nfs/dbraw/zinc/77/15/91/1403771591.db2.gz IYJCQRAPBBWNAL-UHFFFAOYSA-N 0 1 384.524 3.405 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCN(C)c1ccccc1 ZINC000043491606 1403773233 /nfs/dbraw/zinc/77/32/33/1403773233.db2.gz HTQFMFXRHCEUKP-UHFFFAOYSA-N 0 1 381.524 3.005 20 0 GGADMN COc1ccccc1CCNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000043491078 1403773704 /nfs/dbraw/zinc/77/37/04/1403773704.db2.gz FFOBZWXZWVXNLM-UHFFFAOYSA-N 0 1 382.508 3.120 20 0 GGADMN Cc1ccc2nc(CSCC(=O)NC[C@@H](c3cccs3)N(C)C)cn2c1 ZINC000043507620 1403777433 /nfs/dbraw/zinc/77/74/33/1403777433.db2.gz ARMFYPOZLYMJOU-INIZCTEOSA-N 0 1 388.562 3.357 20 0 GGADMN O=C(Nc1ccc(-n2ccnc2)cc1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000043510902 1403778177 /nfs/dbraw/zinc/77/81/77/1403778177.db2.gz ZRAPWEBUTXTJQF-UHFFFAOYSA-N 0 1 387.399 3.286 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NCCCOCC)cc2Cl)CC1 ZINC000056545408 1407356442 /nfs/dbraw/zinc/35/64/42/1407356442.db2.gz RPWMXUGUPYCCPB-UHFFFAOYSA-N 0 1 382.936 3.420 20 0 GGADMN CCCc1nnc(NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)s1 ZINC000043557213 1403785019 /nfs/dbraw/zinc/78/50/19/1403785019.db2.gz SYRWMLJPVNPSDS-MRXNPFEDSA-N 0 1 389.525 3.458 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000043573384 1403786312 /nfs/dbraw/zinc/78/63/12/1403786312.db2.gz BURSPWVCEFQKJD-KRWDZBQOSA-N 0 1 392.503 3.382 20 0 GGADMN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(c2ccc(O)cc2)CC1 ZINC000043613069 1403790950 /nfs/dbraw/zinc/79/09/50/1403790950.db2.gz URVUXMAADQINLH-CQSZACIVSA-N 0 1 385.439 3.448 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCNC(=O)c1ccco1 ZINC000043628858 1403793994 /nfs/dbraw/zinc/79/39/94/1403793994.db2.gz YLKHYIHGMSAOPR-UHFFFAOYSA-N 0 1 376.819 3.086 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000043649347 1403796429 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20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cc(C)nn2-c2ccccn2)N(C)C)c1 ZINC000043786308 1403816498 /nfs/dbraw/zinc/81/64/98/1403816498.db2.gz LPSYSORBYZAOOD-SFHVURJKSA-N 0 1 394.479 3.009 20 0 GGADMN O=C(NCCOc1ccc(Cl)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000043789365 1403817198 /nfs/dbraw/zinc/81/71/98/1403817198.db2.gz MNDCZSPEWXJPJD-UHFFFAOYSA-N 0 1 388.899 3.078 20 0 GGADMN CN(CCCOc1ccccc1)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043799093 1403819153 /nfs/dbraw/zinc/81/91/53/1403819153.db2.gz FPGSVQFJHKFWEM-UHFFFAOYSA-N 0 1 382.508 3.371 20 0 GGADMN C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043800238 1403819580 /nfs/dbraw/zinc/81/95/80/1403819580.db2.gz HBSYPFMFFJCSLV-QGZVFWFLSA-N 0 1 382.508 3.287 20 0 GGADMN CN(CCCNC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccccc1 ZINC000043800695 1403819620 /nfs/dbraw/zinc/81/96/20/1403819620.db2.gz UMJVTAYUDWJKTH-UHFFFAOYSA-N 0 1 381.524 3.086 20 0 GGADMN COCCN(Cc1cccs1)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043800555 1403819918 /nfs/dbraw/zinc/81/99/18/1403819918.db2.gz LDGADTGKOQRYAE-UHFFFAOYSA-N 0 1 388.537 3.180 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(OCc3cccnc3)c2)C1 ZINC000043820581 1403821617 /nfs/dbraw/zinc/82/16/17/1403821617.db2.gz PIOOBLPZNQNPEJ-NRFANRHFSA-N 0 1 398.507 3.139 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(OCc3cccnc3)c2)C1 ZINC000043820577 1403821789 /nfs/dbraw/zinc/82/17/89/1403821789.db2.gz PIOOBLPZNQNPEJ-OAQYLSRUSA-N 0 1 398.507 3.139 20 0 GGADMN CN(C)[C@H](CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1cccc(F)c1 ZINC000056554125 1407359790 /nfs/dbraw/zinc/35/97/90/1407359790.db2.gz AHTPWLDCBYKYBW-WOJBJXKFSA-N 0 1 389.471 3.412 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2ccccc2N2CCCC2)N(C)C)c1 ZINC000056554304 1407359985 /nfs/dbraw/zinc/35/99/85/1407359985.db2.gz DHVKDYHFSWMQJP-QFIPXVFZSA-N 0 1 396.535 3.398 20 0 GGADMN Cc1cc(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)on1 ZINC000043848547 1403830850 /nfs/dbraw/zinc/83/08/50/1403830850.db2.gz JYLXRIPOPBSBTM-UHFFFAOYSA-N 0 1 390.392 3.280 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1=O)c1cccc(F)c1 ZINC000043853068 1403831787 /nfs/dbraw/zinc/83/17/87/1403831787.db2.gz IIMJSKQTHUBHDR-IBGZPJMESA-N 0 1 384.455 3.377 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000043879091 1403839595 /nfs/dbraw/zinc/83/95/95/1403839595.db2.gz LSNVKFCEKVSPNM-CHWSQXEVSA-N 0 1 375.391 3.206 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(F)c1 ZINC000043918228 1403844940 /nfs/dbraw/zinc/84/49/40/1403844940.db2.gz JLANTMFNMONADD-IBGZPJMESA-N 0 1 384.455 3.142 20 0 GGADMN Cc1ccn2cc(CNC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)nc2c1 ZINC000056561949 1407362263 /nfs/dbraw/zinc/36/22/63/1407362263.db2.gz NMLIRWFBJDGXAJ-UHFFFAOYSA-N 0 1 392.507 3.025 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000044014530 1403860081 /nfs/dbraw/zinc/86/00/81/1403860081.db2.gz XYUIEZITRMYWAN-LJQANCHMSA-N 0 1 396.491 3.474 20 0 GGADMN COc1ccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1NC(C)=O ZINC000044033583 1403864269 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O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cccc(Cn2cncn2)c1 ZINC000056733209 1407412814 /nfs/dbraw/zinc/41/28/14/1407412814.db2.gz QYQLBDHSDBDNMI-LJQANCHMSA-N 0 1 394.479 3.268 20 0 GGADMN Cc1cc(C)cc(OCCC(=O)NCCCN2CCN(c3ccccc3)CC2)c1 ZINC000046707808 1404559857 /nfs/dbraw/zinc/55/98/57/1404559857.db2.gz IBOZAOCETGRFGS-UHFFFAOYSA-N 0 1 395.547 3.401 20 0 GGADMN CC(C)S(=O)(=O)CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000056736185 1407414280 /nfs/dbraw/zinc/41/42/80/1407414280.db2.gz XQIZNNKEXBTJFI-UHFFFAOYSA-N 0 1 375.425 3.131 20 0 GGADMN Cc1oc(-c2cccs2)nc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046744989 1404574960 /nfs/dbraw/zinc/57/49/60/1404574960.db2.gz QEEHRJAAYYLNAR-HNNXBMFYSA-N 0 1 375.494 3.038 20 0 GGADMN COc1ccc([C@H](CNC(=O)COCc2cccc(OC)c2)N2CCCC2)cc1 ZINC000046766387 1404582420 /nfs/dbraw/zinc/58/24/20/1404582420.db2.gz FINXWNWLQOOFAE-QFIPXVFZSA-N 0 1 398.503 3.174 20 0 GGADMN COc1cccc(COCC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000046767280 1404583345 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/nfs/dbraw/zinc/69/22/54/1404692254.db2.gz DXSDDCQWWPGOLI-UHFFFAOYSA-N 0 1 379.445 3.168 20 0 GGADMN O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000047073872 1404696921 /nfs/dbraw/zinc/69/69/21/1404696921.db2.gz NEDPEOCSJGZOSO-UHFFFAOYSA-N 0 1 391.456 3.156 20 0 GGADMN O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047089688 1404702941 /nfs/dbraw/zinc/70/29/41/1404702941.db2.gz BXXZVTHZBGSTRS-UHFFFAOYSA-N 0 1 394.500 3.176 20 0 GGADMN C[C@@H]1C[C@@H]1CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000047098923 1404705963 /nfs/dbraw/zinc/70/59/63/1404705963.db2.gz HIIVRHUZHRBWSR-NVXWUHKLSA-N 0 1 389.459 3.139 20 0 GGADMN C[C@@H]1C[C@H]1CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000047098925 1404706405 /nfs/dbraw/zinc/70/64/05/1404706405.db2.gz HIIVRHUZHRBWSR-WBVHZDCISA-N 0 1 389.459 3.139 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000047128869 1404715973 /nfs/dbraw/zinc/71/59/73/1404715973.db2.gz GVNHKSLQKSRUBN-MRXNPFEDSA-N 0 1 387.528 3.015 20 0 GGADMN Cc1ccc2nc(SCc3nnc4n3c3ccc(C)cc3c(=O)n4C)[nH]c2c1 ZINC000047203849 1404746703 /nfs/dbraw/zinc/74/67/03/1404746703.db2.gz PTOORNDPJIBAFW-UHFFFAOYSA-N 0 1 390.472 3.367 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293163 1425720554 /nfs/dbraw/zinc/72/05/54/1425720554.db2.gz NOLHGSSDVPXVLQ-GUXCAODWSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293163 1425720566 /nfs/dbraw/zinc/72/05/66/1425720566.db2.gz NOLHGSSDVPXVLQ-GUXCAODWSA-N 0 1 379.464 3.096 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCCC1 ZINC000047245358 1404765477 /nfs/dbraw/zinc/76/54/77/1404765477.db2.gz SZMGRHXGACLFFZ-OAHLLOKOSA-N 0 1 396.413 3.014 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Cn1nc(C)c(Cl)c1C)N1CCCC1 ZINC000047245554 1404765498 /nfs/dbraw/zinc/76/54/98/1404765498.db2.gz XRELRCYDWNERPC-KRWDZBQOSA-N 0 1 390.915 3.115 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNc3ncc(C(N)=O)cc3Cl)cc2)C[C@H](C)O1 ZINC000047255891 1404770930 /nfs/dbraw/zinc/77/09/30/1404770930.db2.gz BEQTTYDMRSBNOV-OKILXGFUSA-N 0 1 388.899 3.055 20 0 GGADMN COC(=O)c1oc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1C ZINC000047262375 1404774637 /nfs/dbraw/zinc/77/46/37/1404774637.db2.gz LVUUGTDEIYOKQD-UHFFFAOYSA-N 0 1 391.855 3.274 20 0 GGADMN O=C(CN1CCSC1=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000047278385 1404784251 /nfs/dbraw/zinc/78/42/51/1404784251.db2.gz VKYQVYFRALPNRX-UHFFFAOYSA-N 0 1 384.436 3.400 20 0 GGADMN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC[C@H]3Cc3ccccc3)n12 ZINC000047280175 1404785517 /nfs/dbraw/zinc/78/55/17/1404785517.db2.gz SJENICWOVMLLGC-SFHVURJKSA-N 0 1 387.487 3.097 20 0 GGADMN O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000047292327 1404790772 /nfs/dbraw/zinc/79/07/72/1404790772.db2.gz PWOBCNWHWWLROQ-HNNXBMFYSA-N 0 1 393.422 3.102 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000047302478 1404795819 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AMHHMXCPZQMRPK-HZPDHXFCSA-N 0 1 391.512 3.263 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000047433846 1404835378 /nfs/dbraw/zinc/83/53/78/1404835378.db2.gz AMHHMXCPZQMRPK-IYBDPMFKSA-N 0 1 391.512 3.263 20 0 GGADMN Cc1ccc(-c2cnc(CCC(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000047434294 1404835400 /nfs/dbraw/zinc/83/54/00/1404835400.db2.gz RXUYHHQFOJZULX-HDICACEKSA-N 0 1 385.508 3.198 20 0 GGADMN Cc1c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000047434543 1404835416 /nfs/dbraw/zinc/83/54/16/1404835416.db2.gz XRGYDRIQLDXDQA-HUUCEWRRSA-N 0 1 390.915 3.063 20 0 GGADMN Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C3CCCC3)CC2)cc1C ZINC000047445743 1404839496 /nfs/dbraw/zinc/83/94/96/1404839496.db2.gz DMNDXQGTWAPWIG-UHFFFAOYSA-N 0 1 399.564 3.063 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1)c1cccnc1 ZINC000047445931 1404839541 /nfs/dbraw/zinc/83/95/41/1404839541.db2.gz DXYGNAIIYRQGDB-UHFFFAOYSA-N 0 1 378.476 3.034 20 0 GGADMN 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/nfs/dbraw/zinc/85/76/98/1404857698.db2.gz BWVFLQDAGDYAPZ-UHFFFAOYSA-N 0 1 379.439 3.081 20 0 GGADMN Cc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)cn3)coc2c1C ZINC000047523227 1404857849 /nfs/dbraw/zinc/85/78/49/1404857849.db2.gz QAOTXNVEHFIAQD-UHFFFAOYSA-N 0 1 378.476 3.378 20 0 GGADMN COCc1ccccc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047538677 1404861771 /nfs/dbraw/zinc/86/17/71/1404861771.db2.gz FCWMJSAFMVOCAP-HDICACEKSA-N 0 1 382.504 3.372 20 0 GGADMN Cc1ccc(OCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047538666 1404862140 /nfs/dbraw/zinc/86/21/40/1404862140.db2.gz WPNZDEFOMRGZGS-OALUTQOASA-N 0 1 382.504 3.299 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)COc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000047539416 1404862632 /nfs/dbraw/zinc/86/26/32/1404862632.db2.gz UIPFRZXHJNHAOY-CALCHBBNSA-N 0 1 386.467 3.130 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)nc2)CC1 ZINC000047553065 1404866062 /nfs/dbraw/zinc/86/60/62/1404866062.db2.gz FYXYBXBMEFTINV-UHFFFAOYSA-N 0 1 379.489 3.209 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000047562742 1404868394 /nfs/dbraw/zinc/86/83/94/1404868394.db2.gz KCKINVRWADRJSI-UHFFFAOYSA-N 0 1 398.482 3.362 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=S)NCc3ccccc3)cc2)C[C@H](C)O1 ZINC000047567450 1404869281 /nfs/dbraw/zinc/86/92/81/1404869281.db2.gz BUDAMFPWGSVHHG-ROUUACIJSA-N 0 1 383.561 3.460 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1C ZINC000047585337 1404873064 /nfs/dbraw/zinc/87/30/64/1404873064.db2.gz ODAYRUMNNPTIBB-UHFFFAOYSA-N 0 1 399.472 3.278 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000047590321 1404874384 /nfs/dbraw/zinc/87/43/84/1404874384.db2.gz KGTFTASBSNDIFR-IBGZPJMESA-N 0 1 387.480 3.401 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)/C=C/c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000047588581 1404874521 /nfs/dbraw/zinc/87/45/21/1404874521.db2.gz CROMAEYODNFPJU-BDMQASLISA-N 0 1 389.499 3.497 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000047590426 1404874543 /nfs/dbraw/zinc/87/45/43/1404874543.db2.gz QWWLOCDSGCKIQV-HXUWFJFHSA-N 0 1 389.471 3.413 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCCn1ccnc1)c1ccccc1Cl ZINC000047597330 1404876276 /nfs/dbraw/zinc/87/62/76/1404876276.db2.gz GOBUDFXOTSUCEV-GOSISDBHSA-N 0 1 377.920 3.309 20 0 GGADMN COCCOCc1cccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000047598644 1404876304 /nfs/dbraw/zinc/87/63/04/1404876304.db2.gz RENCVSDANLSWMP-UHFFFAOYSA-N 0 1 398.507 3.031 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC ZINC000047608970 1404879049 /nfs/dbraw/zinc/87/90/49/1404879049.db2.gz OHKWMNJLSKJCIW-CVEARBPZSA-N 0 1 399.491 3.159 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCc3ccccc3F)cc2)C[C@@H](C)O1 ZINC000047611629 1404879674 /nfs/dbraw/zinc/87/96/74/1404879674.db2.gz ONFXGOJQPUHDBC-IAGOWNOFSA-N 0 1 385.483 3.434 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 ZINC000047611542 1404879868 /nfs/dbraw/zinc/87/98/68/1404879868.db2.gz MEVLIIUVVJTOHJ-IYBDPMFKSA-N 0 1 397.475 3.346 20 0 GGADMN CC(C)CNC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000047617887 1404880500 /nfs/dbraw/zinc/88/05/00/1404880500.db2.gz NCRMWZHNDPVTRZ-UHFFFAOYSA-N 0 1 380.536 3.464 20 0 GGADMN CCc1ccccc1C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825722928 1426036255 /nfs/dbraw/zinc/03/62/55/1426036255.db2.gz OICZPJXRMGYMPA-UHFFFAOYSA-N 0 1 376.508 3.183 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(Cl)c2-n2cccn2)C[C@H](C)O1 ZINC000047629596 1404882393 /nfs/dbraw/zinc/88/23/93/1404882393.db2.gz BBIXSTRTGPGGAX-GASCZTMLSA-N 0 1 391.903 3.147 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000047670486 1404890853 /nfs/dbraw/zinc/89/08/53/1404890853.db2.gz ZYIQXPWIYVPQIN-UHFFFAOYSA-N 0 1 389.540 3.334 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCCCOC(C)C)N2CCCCC2)cc1 ZINC000047682402 1404892809 /nfs/dbraw/zinc/89/28/09/1404892809.db2.gz MFUHRUFMXYSYGQ-HXUWFJFHSA-N 0 1 377.529 3.337 20 0 GGADMN CC(C)COc1cccc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000047696319 1404894595 /nfs/dbraw/zinc/89/45/95/1404894595.db2.gz ZEZSKAWQNICACR-UHFFFAOYSA-N 0 1 397.523 3.190 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000047713643 1404899036 /nfs/dbraw/zinc/89/90/36/1404899036.db2.gz BKIUGKNJYCHJLJ-UHFFFAOYSA-N 0 1 383.452 3.046 20 0 GGADMN CCCCCNC(=O)C1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000047719309 1404904175 /nfs/dbraw/zinc/90/41/75/1404904175.db2.gz UGPLYFBJUGLEJT-INIZCTEOSA-N 0 1 393.959 3.363 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000047727972 1404906634 /nfs/dbraw/zinc/90/66/34/1404906634.db2.gz XDMJDHUUDOUZAU-UHFFFAOYSA-N 0 1 378.904 3.038 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000047768361 1404934599 /nfs/dbraw/zinc/93/45/99/1404934599.db2.gz BJHKNZIMZXZVKM-UHFFFAOYSA-N 0 1 379.439 3.191 20 0 GGADMN COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1OC(F)F ZINC000047776771 1404939010 /nfs/dbraw/zinc/93/90/10/1404939010.db2.gz CJZBTGWUEIRLHA-OAHLLOKOSA-N 0 1 382.382 3.468 20 0 GGADMN O=C(NCc1ccnc(N2CCCC2)c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047777891 1404939755 /nfs/dbraw/zinc/93/97/55/1404939755.db2.gz FIUSAKXKBNGULL-IBGZPJMESA-N 0 1 397.523 3.301 20 0 GGADMN CCNC(=O)c1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000047778136 1404939915 /nfs/dbraw/zinc/93/99/15/1404939915.db2.gz IDTPKGUBBAEGAY-IBGZPJMESA-N 0 1 398.507 3.056 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@H]1COc2ccccc2C1 ZINC000047778123 1404940620 /nfs/dbraw/zinc/94/06/20/1404940620.db2.gz WNTGHUJWGJIYSK-PKOBYXMFSA-N 0 1 383.492 3.357 20 0 GGADMN CCOCc1ccccc1CNC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000047793314 1404946926 /nfs/dbraw/zinc/94/69/26/1404946926.db2.gz HXWPMLRZUBPISY-UHFFFAOYSA-N 0 1 389.540 3.057 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2nc(C)cs2)N2CCCCC2)cc1 ZINC000047793749 1404947237 /nfs/dbraw/zinc/94/72/37/1404947237.db2.gz GSKCQXLKKPQPNT-GOSISDBHSA-N 0 1 388.537 3.487 20 0 GGADMN O=C(NCCc1cccc2cccnc21)NCC1(N2CCOCC2)CCCCC1 ZINC000047793493 1404947734 /nfs/dbraw/zinc/94/77/34/1404947734.db2.gz 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ZINC000047861663 1404975714 /nfs/dbraw/zinc/97/57/14/1404975714.db2.gz AGQOBDVQIPUSAJ-GJZGRUSLSA-N 0 1 396.482 3.186 20 0 GGADMN Cn1ccnc1[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000047871804 1404979086 /nfs/dbraw/zinc/97/90/86/1404979086.db2.gz FQHPYSDSCUEEFA-ICSRJNTNSA-N 0 1 393.491 3.239 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000047882864 1404982511 /nfs/dbraw/zinc/98/25/11/1404982511.db2.gz OWOVJJANWWQKQA-KRWDZBQOSA-N 0 1 386.452 3.094 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000047882740 1404982576 /nfs/dbraw/zinc/98/25/76/1404982576.db2.gz QYEUQWOECDJBSY-BEFAXECRSA-N 0 1 384.480 3.435 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047893556 1404987531 /nfs/dbraw/zinc/98/75/31/1404987531.db2.gz STVADYBHGYOFGM-SJORKVTESA-N 0 1 391.531 3.156 20 0 GGADMN C[C@H](c1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1)[NH+]1CCOCC1 ZINC000736200149 1426249035 /nfs/dbraw/zinc/24/90/35/1426249035.db2.gz SBDWTKFRXAJSHX-GFCCVEGCSA-N 0 1 385.859 3.052 20 0 GGADMN COCc1cccc(CNC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000047914867 1404993969 /nfs/dbraw/zinc/99/39/69/1404993969.db2.gz KTZCJJDZWCMCMA-OAQYLSRUSA-N 0 1 397.519 3.478 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@H](C)Cn1ccnc1)c1ccccc1Cl ZINC000047927287 1405000020 /nfs/dbraw/zinc/00/00/20/1405000020.db2.gz SGNKOSOTMZLKDX-QAPCUYQASA-N 0 1 377.920 3.307 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)N2CCCC2)c1 ZINC000047932146 1405001026 /nfs/dbraw/zinc/00/10/26/1405001026.db2.gz FTYPPYXWWZZBAJ-VXKWHMMOSA-N 0 1 393.487 3.142 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000047936310 1405002512 /nfs/dbraw/zinc/00/25/12/1405002512.db2.gz HDZSIQLKDSVHAV-JLTOFOAXSA-N 0 1 386.471 3.447 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(N2CCCCC2)nc1)c1cccc(F)c1 ZINC000047935873 1405002654 /nfs/dbraw/zinc/00/26/54/1405002654.db2.gz DNWAMPGFXAOODQ-HXUWFJFHSA-N 0 1 399.514 3.313 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cccc(N2CCCC2=O)c1)c1cccc(F)c1 ZINC000047936321 1405002754 /nfs/dbraw/zinc/00/27/54/1405002754.db2.gz HHCKCVIIGQYVIQ-HXUWFJFHSA-N 0 1 398.482 3.055 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000047936307 1405002871 /nfs/dbraw/zinc/00/28/71/1405002871.db2.gz HDZSIQLKDSVHAV-XOBRGWDASA-N 0 1 386.471 3.447 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCCn2cnc3ccccc32)N(C)C)c1 ZINC000047936598 1405002947 /nfs/dbraw/zinc/00/29/47/1405002947.db2.gz MJROMSVQTZMBCG-OAQYLSRUSA-N 0 1 395.507 3.037 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(F)c1 ZINC000047936223 1405003089 /nfs/dbraw/zinc/00/30/89/1405003089.db2.gz NJULQDHXUZZAOX-UWJYYQICSA-N 0 1 384.499 3.254 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N(C)C)c1 ZINC000047937201 1405003562 /nfs/dbraw/zinc/00/35/62/1405003562.db2.gz GHGUROROWJRTOV-JOCHJYFZSA-N 0 1 396.535 3.398 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCc2cccc3cccnc32)N(C)C)c1 ZINC000047936882 1405003854 /nfs/dbraw/zinc/00/38/54/1405003854.db2.gz HLNIWYRMDYERMZ-OAQYLSRUSA-N 0 1 392.503 3.388 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)N(C)C)c1 ZINC000047936980 1405004059 /nfs/dbraw/zinc/00/40/59/1405004059.db2.gz WFNTYLPZIKLIKT-BTYIYWSLSA-N 0 1 398.507 3.317 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCCOC2CCCCC2)N(C)C)c1 ZINC000047936708 1405004075 /nfs/dbraw/zinc/00/40/75/1405004075.db2.gz DAZRAIITMHTPPY-HXUWFJFHSA-N 0 1 377.529 3.337 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N(C)C)c1 ZINC000047937200 1405004139 /nfs/dbraw/zinc/00/41/39/1405004139.db2.gz GHGUROROWJRTOV-QFIPXVFZSA-N 0 1 396.535 3.398 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F)c1ccco1 ZINC000823672455 1426268775 /nfs/dbraw/zinc/26/87/75/1426268775.db2.gz DUZMZOVYMKFXFF-FUHWJXTLSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cc(-c2nn[n-]n2)ccc1F)c1ccco1 ZINC000823672455 1426268777 /nfs/dbraw/zinc/26/87/77/1426268777.db2.gz DUZMZOVYMKFXFF-FUHWJXTLSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cc(-c2nn[n-]n2)ccc1F)c1ccco1 ZINC000823672455 1426268790 /nfs/dbraw/zinc/26/87/90/1426268790.db2.gz DUZMZOVYMKFXFF-FUHWJXTLSA-N 0 1 385.443 3.467 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)c1ccc2ccccc2c1 ZINC000047980545 1405015449 /nfs/dbraw/zinc/01/54/49/1405015449.db2.gz RWVSOGWWDFCSCD-VGSWGCGISA-N 0 1 393.531 3.255 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047984090 1405016269 /nfs/dbraw/zinc/01/62/69/1405016269.db2.gz VPPLSOKZXCWSIB-HIFRSBDPSA-N 0 1 397.441 3.271 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047983739 1405016376 /nfs/dbraw/zinc/01/63/76/1405016376.db2.gz YMSWGCZUQJKXII-ZBFHGGJFSA-N 0 1 377.916 3.214 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000047985413 1405017953 /nfs/dbraw/zinc/01/79/53/1405017953.db2.gz VMDLLRUSKKXNCQ-UHFFFAOYSA-N 0 1 392.503 3.067 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047985327 1405017979 /nfs/dbraw/zinc/01/79/79/1405017979.db2.gz WAXDCIHOFIPYLS-IBGZPJMESA-N 0 1 396.491 3.439 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000047985417 1405018184 /nfs/dbraw/zinc/01/81/84/1405018184.db2.gz FHRQBYTWKFGYAQ-SFHVURJKSA-N 0 1 386.521 3.373 20 0 GGADMN COc1cc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)ccn1 ZINC000047987976 1405019223 /nfs/dbraw/zinc/01/92/23/1405019223.db2.gz FSSFBYYLFMPOST-GOSISDBHSA-N 0 1 388.899 3.380 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)NCCc3cccs3)cc2)C[C@H](C)O1 ZINC000048002899 1405021690 /nfs/dbraw/zinc/02/16/90/1405021690.db2.gz NUHIDIZVFBXWOU-IRXDYDNUSA-N 0 1 387.549 3.399 20 0 GGADMN COc1ccc(OC)c(CCC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000048011834 1405025052 /nfs/dbraw/zinc/02/50/52/1405025052.db2.gz NJORVBHMONLIEY-UHFFFAOYSA-N 0 1 382.420 3.069 20 0 GGADMN COc1cc(CCC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cc(OC)c1 ZINC000048011929 1405025326 /nfs/dbraw/zinc/02/53/26/1405025326.db2.gz QWBZERASRWCVGJ-UHFFFAOYSA-N 0 1 382.420 3.069 20 0 GGADMN COc1ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000048018485 1405026873 /nfs/dbraw/zinc/02/68/73/1405026873.db2.gz PWIWVTYAVOHMOY-IYBDPMFKSA-N 0 1 384.480 3.021 20 0 GGADMN CCCCNC(=O)C1CCN(CC(=O)N(CCC)Cc2ccc(C)cc2)CC1 ZINC000048042690 1405030351 /nfs/dbraw/zinc/03/03/51/1405030351.db2.gz WNRNNKJXNVVTRI-UHFFFAOYSA-N 0 1 387.568 3.362 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046335 1405031443 /nfs/dbraw/zinc/03/14/43/1405031443.db2.gz ATCPLLRTMMJURS-NLWGTHIKSA-N 0 1 377.573 3.137 20 0 GGADMN CC(C)CCC[C@@H](C)NC(=O)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046044 1405031674 /nfs/dbraw/zinc/03/16/74/1405031674.db2.gz QAJOZIDLJVXKMV-RTBURBONSA-N 0 1 379.589 3.288 20 0 GGADMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048045815 1405031828 /nfs/dbraw/zinc/03/18/28/1405031828.db2.gz YGSKTXKNNBZKEV-NNVNDSJASA-N 0 1 377.573 3.040 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048047005 1405032192 /nfs/dbraw/zinc/03/21/92/1405032192.db2.gz XDFXCKAPUAAWJV-OALUTQOASA-N 0 1 397.563 3.325 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048047105 1405032273 /nfs/dbraw/zinc/03/22/73/1405032273.db2.gz QGCUHGBYJYQKKC-ROUUACIJSA-N 0 1 377.573 3.137 20 0 GGADMN CCc1ccc(CN(C)C(=O)CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000048046664 1405032377 /nfs/dbraw/zinc/03/23/77/1405032377.db2.gz PWIFDHFSFUHBGN-IBGZPJMESA-N 0 1 399.579 3.178 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048047104 1405032657 /nfs/dbraw/zinc/03/26/57/1405032657.db2.gz QGCUHGBYJYQKKC-MSOLQXFVSA-N 0 1 377.573 3.137 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046676 1405033114 /nfs/dbraw/zinc/03/31/14/1405033114.db2.gz SYJJHFHLOUSKLM-VAMGGRTRSA-N 0 1 399.579 3.265 20 0 GGADMN C[C@@H](C(=O)NCC1CCCCC1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048047402 1405033982 /nfs/dbraw/zinc/03/39/82/1405033982.db2.gz TWBMDAUVGSMBDG-MSOLQXFVSA-N 0 1 377.573 3.042 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)COc1ccccc1 ZINC000048055632 1405036289 /nfs/dbraw/zinc/03/62/89/1405036289.db2.gz HBDCKQVRLGQSSS-GOSISDBHSA-N 0 1 382.508 3.336 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(F)cc1 ZINC000048059173 1405037224 /nfs/dbraw/zinc/03/72/24/1405037224.db2.gz CXCWMARBSDPWOT-HXUWFJFHSA-N 0 1 398.482 3.486 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(F)cc1 ZINC000048061141 1405038176 /nfs/dbraw/zinc/03/81/76/1405038176.db2.gz KINAKTGALBDNCN-LJQANCHMSA-N 0 1 384.455 3.142 20 0 GGADMN COc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1NC(C)=O ZINC000048073657 1405042863 /nfs/dbraw/zinc/04/28/63/1405042863.db2.gz IKOBDBFZQHHXAB-SFHVURJKSA-N 0 1 388.443 3.217 20 0 GGADMN CC(C)NC(=O)Nc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000048072246 1405042875 /nfs/dbraw/zinc/04/28/75/1405042875.db2.gz AKKVKGKZPLQSBD-GOSISDBHSA-N 0 1 384.480 3.376 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000048074739 1405043563 /nfs/dbraw/zinc/04/35/63/1405043563.db2.gz RPPHIGXHARKJNZ-HXUWFJFHSA-N 0 1 398.482 3.486 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1 ZINC000048076102 1405044288 /nfs/dbraw/zinc/04/42/88/1405044288.db2.gz JZDISXNSLTZKRJ-FQEVSTJZSA-N 0 1 381.455 3.495 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000736195991 1426318437 /nfs/dbraw/zinc/31/84/37/1426318437.db2.gz ILSPSPYOJWYYPV-QAPCUYQASA-N 0 1 392.511 3.125 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000736195991 1426318443 /nfs/dbraw/zinc/31/84/43/1426318443.db2.gz ILSPSPYOJWYYPV-QAPCUYQASA-N 0 1 392.511 3.125 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000736195991 1426318447 /nfs/dbraw/zinc/31/84/47/1426318447.db2.gz ILSPSPYOJWYYPV-QAPCUYQASA-N 0 1 392.511 3.125 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000048079139 1405045606 /nfs/dbraw/zinc/04/56/06/1405045606.db2.gz TULHENQUGUNGHL-FQEVSTJZSA-N 0 1 398.482 3.451 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000048084682 1405048178 /nfs/dbraw/zinc/04/81/78/1405048178.db2.gz PZRGWWSPXOYFRR-FQEVSTJZSA-N 0 1 389.471 3.413 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000048093351 1405050494 /nfs/dbraw/zinc/05/04/94/1405050494.db2.gz IUYWDEJWERGKSZ-WMLDXEAASA-N 0 1 385.455 3.005 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000048093380 1405050672 /nfs/dbraw/zinc/05/06/72/1405050672.db2.gz RFNJCGQSSOYWNH-DOTOQJQBSA-N 0 1 381.517 3.019 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000048093358 1405050766 /nfs/dbraw/zinc/05/07/66/1405050766.db2.gz NKYSBOSSCZJYPW-YOEHRIQHSA-N 0 1 385.455 3.005 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C1 ZINC000048093439 1405051710 /nfs/dbraw/zinc/05/17/10/1405051710.db2.gz ZONONQQXLXMOAU-FXAWDEMLSA-N 0 1 377.529 3.191 20 0 GGADMN Cc1nn(C)c2ncc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc12 ZINC000048104752 1405056079 /nfs/dbraw/zinc/05/60/79/1405056079.db2.gz SJHKWPRYVKGOEH-UHFFFAOYSA-N 0 1 378.480 3.017 20 0 GGADMN Cc1nn(C)c2ncc(NC(=O)N3CCCN(Cc4ccc(C)cc4)CC3)cc12 ZINC000048104758 1405056162 /nfs/dbraw/zinc/05/61/62/1405056162.db2.gz MXLSAZCUPGUFRU-UHFFFAOYSA-N 0 1 392.507 3.325 20 0 GGADMN CC(C)NC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000048104931 1405056681 /nfs/dbraw/zinc/05/66/81/1405056681.db2.gz LYRDCPLZEUCBLW-SFHVURJKSA-N 0 1 384.480 3.376 20 0 GGADMN COC(=O)c1ccc(F)c(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000048107853 1405057800 /nfs/dbraw/zinc/05/78/00/1405057800.db2.gz WSWGBMGGIJUPMB-QGZVFWFLSA-N 0 1 377.391 3.176 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)c1 ZINC000048109297 1405058513 /nfs/dbraw/zinc/05/85/13/1405058513.db2.gz MVSDJNQCTFIVIQ-GOSISDBHSA-N 0 1 384.480 3.296 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)c1 ZINC000048116926 1405061428 /nfs/dbraw/zinc/06/14/28/1405061428.db2.gz HKXIWYFUNMMVMS-QGZVFWFLSA-N 0 1 394.519 3.313 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(C)c1 ZINC000048117309 1405062449 /nfs/dbraw/zinc/06/24/49/1405062449.db2.gz WYVZOQFJFFNWMZ-IBGZPJMESA-N 0 1 386.471 3.308 20 0 GGADMN CC(C)[C@H](CNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCN(C)CC1 ZINC000048131750 1405068003 /nfs/dbraw/zinc/06/80/03/1405068003.db2.gz FGSMMIMMBKIXOS-KRWDZBQOSA-N 0 1 397.350 3.477 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@@H](C)O1 ZINC000048138784 1405070871 /nfs/dbraw/zinc/07/08/71/1405070871.db2.gz QGYMPXZDHNEMGG-HZPDHXFCSA-N 0 1 378.492 3.047 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cc(N2CCCC2=O)ccc1F)c1cccs1 ZINC000048145076 1405072609 /nfs/dbraw/zinc/07/26/09/1405072609.db2.gz UXQVASPAJGQVMK-INIZCTEOSA-N 0 1 390.484 3.438 20 0 GGADMN COc1cc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1OC(F)F ZINC000048160333 1405079477 /nfs/dbraw/zinc/07/94/77/1405079477.db2.gz PFCXEOVLTKTNRQ-AWEZNQCLSA-N 0 1 399.463 3.460 20 0 GGADMN CCCc1c(C(=O)NC[C@H](c2cccs2)N(C)C)[nH]c(C)c1C(=O)OC ZINC000048186324 1405091203 /nfs/dbraw/zinc/09/12/03/1405091203.db2.gz PSNAEXBKUHQKRL-CQSZACIVSA-N 0 1 377.510 3.156 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cn2)n1 ZINC000048212210 1405098657 /nfs/dbraw/zinc/09/86/57/1405098657.db2.gz XGXQGSQMXFDBEE-KRWDZBQOSA-N 0 1 384.509 3.370 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)cn2)n1 ZINC000048212157 1405099018 /nfs/dbraw/zinc/09/90/18/1405099018.db2.gz PKFCMENSCPBRTI-SFHVURJKSA-N 0 1 394.479 3.436 20 0 GGADMN CCOC(=O)C1C(CNc2ccc(C(C)=O)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000048214670 1405101370 /nfs/dbraw/zinc/10/13/70/1405101370.db2.gz YXSWXYLFYOGVCI-FQEVSTJZSA-N 0 1 393.443 3.172 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1OC ZINC000048230913 1405109111 /nfs/dbraw/zinc/10/91/11/1405109111.db2.gz AWSDDKPDUIQHJM-UHFFFAOYSA-N 0 1 398.431 3.383 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000048245079 1405112562 /nfs/dbraw/zinc/11/25/62/1405112562.db2.gz RTSYILLEAPOLLU-UHFFFAOYSA-N 0 1 390.440 3.031 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc(F)cc4nc[nH]c43)CC2)cc1 ZINC000048247063 1405113581 /nfs/dbraw/zinc/11/35/81/1405113581.db2.gz UGOCIIFZMNGKGX-UHFFFAOYSA-N 0 1 382.439 3.059 20 0 GGADMN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000048255887 1405117670 /nfs/dbraw/zinc/11/76/70/1405117670.db2.gz RFFFSFDHYPTQJO-SFHVURJKSA-N 0 1 390.528 3.068 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CSCc1ccccn1)N1CCCC1 ZINC000048298728 1405132547 /nfs/dbraw/zinc/13/25/47/1405132547.db2.gz DTTQFSLPQLTBBE-LJQANCHMSA-N 0 1 385.533 3.277 20 0 GGADMN COC(=O)c1cc(-c2csc(NC(=O)c3cc(F)cc4[nH]cnc43)n2)c[nH]1 ZINC000048316963 1405142671 /nfs/dbraw/zinc/14/26/71/1405142671.db2.gz UTUPDUVPIOFFIB-UHFFFAOYSA-N 0 1 385.380 3.193 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3cc(F)c(Cl)cc3Cl)ccn2)CC1 ZINC000048329804 1405148469 /nfs/dbraw/zinc/14/84/69/1405148469.db2.gz NWDCYSXZNNKWOU-UHFFFAOYSA-N 0 1 397.281 3.209 20 0 GGADMN CN1CCN(c2cc(CNC(=O)C3(c4cccc(Cl)c4)CCC3)ccn2)CC1 ZINC000048335698 1405149626 /nfs/dbraw/zinc/14/96/26/1405149626.db2.gz VHQCQQUERHKQMW-UHFFFAOYSA-N 0 1 398.938 3.225 20 0 GGADMN CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000048335817 1405149764 /nfs/dbraw/zinc/14/97/64/1405149764.db2.gz MXHXZYPLLAXYPU-GOSISDBHSA-N 0 1 396.535 3.042 20 0 GGADMN Cc1csc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000048348622 1405155160 /nfs/dbraw/zinc/15/51/60/1405155160.db2.gz ZARRZSHDFHAFER-IYBDPMFKSA-N 0 1 388.537 3.060 20 0 GGADMN COc1ccc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000048357553 1405158401 /nfs/dbraw/zinc/15/84/01/1405158401.db2.gz DBXAHPGRBQQZSU-GOSISDBHSA-N 0 1 388.899 3.380 20 0 GGADMN C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824626052 1426481852 /nfs/dbraw/zinc/48/18/52/1426481852.db2.gz LLOANDXMJJXNPU-GFCCVEGCSA-N 0 1 381.390 3.181 20 0 GGADMN CCC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000048359653 1405162564 /nfs/dbraw/zinc/16/25/64/1405162564.db2.gz OJDDDNCWVQGBDH-UHFFFAOYSA-N 0 1 380.492 3.348 20 0 GGADMN COc1cccc(OCC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000048369703 1405166906 /nfs/dbraw/zinc/16/69/06/1405166906.db2.gz VMCOYJZRSZXUEV-NRFANRHFSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(F)cc3nc(C)c(C)nc32)N(C)C)c1 ZINC000048381130 1405171592 /nfs/dbraw/zinc/17/15/92/1405171592.db2.gz NIMSZCHMHYKHBO-HXUWFJFHSA-N 0 1 396.466 3.427 20 0 GGADMN COc1cc(NC(=O)Nc2ccccc2N2CCN(C)CC2)ccc1NC(C)=O ZINC000048385707 1405174306 /nfs/dbraw/zinc/17/43/06/1405174306.db2.gz IKSGWOMYXVTBTH-UHFFFAOYSA-N 0 1 397.479 3.049 20 0 GGADMN CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000048436368 1405189761 /nfs/dbraw/zinc/18/97/61/1405189761.db2.gz AEWFLEAVBMACNG-LJQANCHMSA-N 0 1 398.507 3.259 20 0 GGADMN CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000048466859 1405197662 /nfs/dbraw/zinc/19/76/62/1405197662.db2.gz JCPOIUDIYBADDH-GFCCVEGCSA-N 0 1 376.844 3.081 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000048502661 1405209734 /nfs/dbraw/zinc/20/97/34/1405209734.db2.gz DPZBBTZKFKGEMI-INIZCTEOSA-N 0 1 390.871 3.251 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000048537456 1405219675 /nfs/dbraw/zinc/21/96/75/1405219675.db2.gz KYQXWBDVIIEYGV-IAGOWNOFSA-N 0 1 392.519 3.245 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000048537455 1405219751 /nfs/dbraw/zinc/21/97/51/1405219751.db2.gz KYQXWBDVIIEYGV-IRXDYDNUSA-N 0 1 392.519 3.245 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000048561610 1405225006 /nfs/dbraw/zinc/22/50/06/1405225006.db2.gz REFPRPHHVIXKJI-CALCHBBNSA-N 0 1 385.483 3.434 20 0 GGADMN CNC(=O)c1cccc(CNCc2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000048709664 1405263567 /nfs/dbraw/zinc/26/35/67/1405263567.db2.gz HTQKPNNOONPFOL-UHFFFAOYSA-N 0 1 399.292 3.284 20 0 GGADMN O=C(NCCNCc1ccc(OC(F)F)cc1OC(F)F)c1cccs1 ZINC000048715674 1405265803 /nfs/dbraw/zinc/26/58/03/1405265803.db2.gz UDRFABXBGJDLFA-UHFFFAOYSA-N 0 1 392.374 3.471 20 0 GGADMN C#CCOc1ccc(Br)cc1CNCCNC(=O)c1cccs1 ZINC000048715757 1405266001 /nfs/dbraw/zinc/26/60/01/1405266001.db2.gz BJDXWMWRCWFBGF-UHFFFAOYSA-N 0 1 393.306 3.042 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)N2CCCC2)cc1 ZINC000048722720 1405270766 /nfs/dbraw/zinc/27/07/66/1405270766.db2.gz KALFDXFEEHQXMC-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CCCC2)cc1 ZINC000048722566 1405271022 /nfs/dbraw/zinc/27/10/22/1405271022.db2.gz QREBGKKELRMICQ-NRFANRHFSA-N 0 1 395.503 3.204 20 0 GGADMN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000048722794 1405271327 /nfs/dbraw/zinc/27/13/27/1405271327.db2.gz RXLJMTVPOPUHOQ-OAQYLSRUSA-N 0 1 395.503 3.149 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2)N2CCCCC2)cc1 ZINC000048734439 1405274903 /nfs/dbraw/zinc/27/49/03/1405274903.db2.gz APJNIMOAZKSTGX-OAQYLSRUSA-N 0 1 395.503 3.286 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)C(=O)NC[C@H](c3cccs3)N(C)C)cc2)o1 ZINC000048742544 1405277364 /nfs/dbraw/zinc/27/73/64/1405277364.db2.gz SGRFYZJEWIBLNJ-MRXNPFEDSA-N 0 1 398.488 3.069 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SC(F)F)c1cccs1 ZINC000048743959 1405278654 /nfs/dbraw/zinc/27/86/54/1405278654.db2.gz HLEXDBFHJGXMBK-LBPRGKRZSA-N 0 1 399.488 3.420 20 0 GGADMN CN(C)C(=O)COc1cccc(CNCc2ccc(Br)cc2F)c1 ZINC000048745660 1405279899 /nfs/dbraw/zinc/27/98/99/1405279899.db2.gz ZFWUECKORICKQV-UHFFFAOYSA-N 0 1 395.272 3.345 20 0 GGADMN COc1ccccc1CNCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000048746498 1405280315 /nfs/dbraw/zinc/28/03/15/1405280315.db2.gz DCMSGEWMURBKBY-KRWDZBQOSA-N 0 1 388.533 3.406 20 0 GGADMN COCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](C)c1ccc(OC)cc1 ZINC000826159023 1426750070 /nfs/dbraw/zinc/75/00/70/1426750070.db2.gz NDHNZLRHHUTAFD-INIZCTEOSA-N 0 1 381.480 3.127 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](C)c1ccc(OC)cc1 ZINC000826159023 1426750072 /nfs/dbraw/zinc/75/00/72/1426750072.db2.gz NDHNZLRHHUTAFD-INIZCTEOSA-N 0 1 381.480 3.127 20 0 GGADMN COCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](C)c1ccc(OC)cc1 ZINC000826159023 1426750074 /nfs/dbraw/zinc/75/00/74/1426750074.db2.gz NDHNZLRHHUTAFD-INIZCTEOSA-N 0 1 381.480 3.127 20 0 GGADMN CC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750525 1405280992 /nfs/dbraw/zinc/28/09/92/1405280992.db2.gz KCQRAOHOMSAXPI-HXUWFJFHSA-N 0 1 395.503 3.028 20 0 GGADMN CC[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1OCC(=O)NC ZINC000048750139 1405281084 /nfs/dbraw/zinc/28/10/84/1405281084.db2.gz XSWQBGBRFHRFPM-FQEVSTJZSA-N 0 1 378.476 3.238 20 0 GGADMN CC[C@H](NCc1ccc(OC)cc1OC)c1ccccc1OCC(=O)N(C)C ZINC000048750623 1405281212 /nfs/dbraw/zinc/28/12/12/1405281212.db2.gz USRWFRSYRUODSZ-IBGZPJMESA-N 0 1 386.492 3.412 20 0 GGADMN NC(=O)c1ccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000048781162 1405290189 /nfs/dbraw/zinc/29/01/89/1405290189.db2.gz CJBTZQKBKZQTPD-UHFFFAOYSA-N 0 1 377.419 3.467 20 0 GGADMN COc1cc(CNCc2cnn(-c3ccc(Cl)cc3)c2)ccc1OCCO ZINC000048784434 1405292256 /nfs/dbraw/zinc/29/22/56/1405292256.db2.gz OHCFAGJPMBDIFB-UHFFFAOYSA-N 0 1 387.867 3.195 20 0 GGADMN CCOc1cccc(CNCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c1 ZINC000048819845 1405297882 /nfs/dbraw/zinc/29/78/82/1405297882.db2.gz RPDUMWUYJBUZFY-NRFANRHFSA-N 0 1 398.503 3.049 20 0 GGADMN O=C(COc1ccccc1CNCc1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000048818429 1405298440 /nfs/dbraw/zinc/29/84/40/1405298440.db2.gz NCSOSXAXKJLOFH-IBGZPJMESA-N 0 1 388.895 3.304 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C)N1CCCC1 ZINC000048827834 1405300146 /nfs/dbraw/zinc/30/01/46/1405300146.db2.gz PCNVONMEBGEWJP-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(C)c(F)c1)N1CCCC1 ZINC000048827717 1405300524 /nfs/dbraw/zinc/30/05/24/1405300524.db2.gz RRIWXAHDCYPBFB-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000048827828 1405300628 /nfs/dbraw/zinc/30/06/28/1405300628.db2.gz DBYHJIFEWISMSY-FQEVSTJZSA-N 0 1 395.503 3.149 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cc(C)cc(C)c1)N1CCCC1 ZINC000048827701 1405300650 /nfs/dbraw/zinc/30/06/50/1405300650.db2.gz LTLNKSGKDHGLNX-FQEVSTJZSA-N 0 1 395.503 3.204 20 0 GGADMN CC1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2cccs2)CC1 ZINC000048827897 1405300681 /nfs/dbraw/zinc/30/06/81/1405300681.db2.gz SVNQFMNAKKIHAN-KRWDZBQOSA-N 0 1 389.496 3.415 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1Cl ZINC000048842983 1405303248 /nfs/dbraw/zinc/30/32/48/1405303248.db2.gz DRVUQSAAJIGWNN-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000048842949 1405303553 /nfs/dbraw/zinc/30/35/53/1405303553.db2.gz OPZVRLJESATBDW-INIZCTEOSA-N 0 1 398.265 3.490 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc2ccccc21)c1cccc(F)c1 ZINC000048842988 1405303868 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ZINC000059390306 1407921179 /nfs/dbraw/zinc/92/11/79/1407921179.db2.gz XUISBTPKUBEBML-IBGZPJMESA-N 0 1 383.423 3.133 20 0 GGADMN CCCc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[nH]c(C)c1C(=O)OC ZINC000059403451 1407921583 /nfs/dbraw/zinc/92/15/83/1407921583.db2.gz UTKLIWLZWBIJBT-SFHVURJKSA-N 0 1 397.519 3.457 20 0 GGADMN CCN(CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000059404613 1407922357 /nfs/dbraw/zinc/92/23/57/1407922357.db2.gz JBQRYWUKNISTLV-UHFFFAOYSA-N 0 1 394.563 3.150 20 0 GGADMN CCOc1cccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000059593172 1407924167 /nfs/dbraw/zinc/92/41/67/1407924167.db2.gz GZCYDTMYFBZYIT-UHFFFAOYSA-N 0 1 397.519 3.036 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1 ZINC000059782398 1407925578 /nfs/dbraw/zinc/92/55/78/1407925578.db2.gz STRZUEHQPSWSQW-FQEVSTJZSA-N 0 1 396.487 3.439 20 0 GGADMN COc1ccccc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000059932607 1407930350 /nfs/dbraw/zinc/93/03/50/1407930350.db2.gz FQNYQRBYXMCSPG-LJQANCHMSA-N 0 1 388.533 3.447 20 0 GGADMN COc1ccccc1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000059932606 1407930790 /nfs/dbraw/zinc/93/07/90/1407930790.db2.gz FQNYQRBYXMCSPG-IBGZPJMESA-N 0 1 388.533 3.447 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000060041280 1407934295 /nfs/dbraw/zinc/93/42/95/1407934295.db2.gz UWYQHJYDMRMVRV-HUUCEWRRSA-N 0 1 397.466 3.243 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000060041284 1407934443 /nfs/dbraw/zinc/93/44/43/1407934443.db2.gz UWYQHJYDMRMVRV-CABCVRRESA-N 0 1 397.466 3.243 20 0 GGADMN CC(C)[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC1=O ZINC000060295984 1407950683 /nfs/dbraw/zinc/95/06/83/1407950683.db2.gz JGYBUAPLEOUBCU-UYAOXDASSA-N 0 1 391.943 3.240 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000060343940 1407956090 /nfs/dbraw/zinc/95/60/90/1407956090.db2.gz RTEGKZYHDAEJSE-UHFFFAOYSA-N 0 1 380.423 3.472 20 0 GGADMN CCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000060341843 1407956222 /nfs/dbraw/zinc/95/62/22/1407956222.db2.gz RHQCLRKCABOPJV-IRXDYDNUSA-N 0 1 394.581 3.357 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000060343987 1407956399 /nfs/dbraw/zinc/95/63/99/1407956399.db2.gz IPMAJVHGIQODDR-UHFFFAOYSA-N 0 1 392.488 3.390 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)N2CCCC2)o1 ZINC000060354883 1407959217 /nfs/dbraw/zinc/95/92/17/1407959217.db2.gz LMDDDRYCKFYYRH-QZTJIDSGSA-N 0 1 389.540 3.126 20 0 GGADMN COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c(OC)c1OC ZINC000060355185 1407959409 /nfs/dbraw/zinc/95/94/09/1407959409.db2.gz OJADHPNDSQZNNH-MRXNPFEDSA-N 0 1 388.464 3.181 20 0 GGADMN O=C(CC(F)(F)F)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000060365661 1407961685 /nfs/dbraw/zinc/96/16/85/1407961685.db2.gz YWHUARNNESGWHB-UHFFFAOYSA-N 0 1 392.425 3.337 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000060365735 1407961755 /nfs/dbraw/zinc/96/17/55/1407961755.db2.gz IJOQTYQYMTVLBK-IAGOWNOFSA-N 0 1 392.503 3.411 20 0 GGADMN COc1ccc(N2CCN(CCCNc3ncc(C#N)cc3Cl)CC2)cc1 ZINC000060372201 1407963551 /nfs/dbraw/zinc/96/35/51/1407963551.db2.gz NRDMASJFAOTPIS-UHFFFAOYSA-N 0 1 385.899 3.239 20 0 GGADMN CC(C)(C)c1ccc(O)c(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000060371500 1407963582 /nfs/dbraw/zinc/96/35/82/1407963582.db2.gz QGIJQEJSWOEPNY-UHFFFAOYSA-N 0 1 380.448 3.325 20 0 GGADMN CC(C)[C@@H](CNC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1 ZINC000060371259 1407963734 /nfs/dbraw/zinc/96/37/34/1407963734.db2.gz YQFBDNHVZUSHRQ-GOSISDBHSA-N 0 1 378.476 3.239 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1c(C)c(C)cc(C)c1C)c1cc(F)ccc1F ZINC000060377581 1407965319 /nfs/dbraw/zinc/96/53/19/1407965319.db2.gz KILWGDRNGBDNKN-KRWDZBQOSA-N 0 1 397.443 3.391 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C(C)C)cc1 ZINC000060388692 1407968055 /nfs/dbraw/zinc/96/80/55/1407968055.db2.gz MDXAUYSMLXPPIN-PKOBYXMFSA-N 0 1 387.549 3.230 20 0 GGADMN Cc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)C(C)C)cc1 ZINC000060388693 1407968256 /nfs/dbraw/zinc/96/82/56/1407968256.db2.gz MDXAUYSMLXPPIN-MJGOQNOKSA-N 0 1 387.549 3.230 20 0 GGADMN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)CCC(=O)c1ccccc1 ZINC000060392163 1407969558 /nfs/dbraw/zinc/96/95/58/1407969558.db2.gz KNPXAKDLZJIPMG-UHFFFAOYSA-N 0 1 392.503 3.402 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000060438323 1407977872 /nfs/dbraw/zinc/97/78/72/1407977872.db2.gz FUJOMSTZDCWBGC-UHFFFAOYSA-N 0 1 393.409 3.475 20 0 GGADMN O=S(=O)(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc2c(c1)CCO2 ZINC000060461871 1407982185 /nfs/dbraw/zinc/98/21/85/1407982185.db2.gz QOZHCZSXNKMFQC-UHFFFAOYSA-N 0 1 384.482 3.066 20 0 GGADMN Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000060470021 1407984740 /nfs/dbraw/zinc/98/47/40/1407984740.db2.gz YQWASNYFDQKMSP-ABSDTBQOSA-N 0 1 395.547 3.494 20 0 GGADMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000060470410 1407984855 /nfs/dbraw/zinc/98/48/55/1407984855.db2.gz MSICIGSXMHSCLK-AWEZNQCLSA-N 0 1 390.940 3.279 20 0 GGADMN CCOC1CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000060484327 1407987413 /nfs/dbraw/zinc/98/74/13/1407987413.db2.gz XQIADYZFYSUXOL-UHFFFAOYSA-N 0 1 386.492 3.114 20 0 GGADMN CCCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000060495610 1407990382 /nfs/dbraw/zinc/99/03/82/1407990382.db2.gz UDGVVUJTHAUUAV-FQEVSTJZSA-N 0 1 398.613 3.237 20 0 GGADMN O=S(=O)([N-][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(F)cc1F ZINC000060499485 1407991451 /nfs/dbraw/zinc/99/14/51/1407991451.db2.gz VUTSMRJIISNHTO-OAHLLOKOSA-N 0 1 384.423 3.047 20 0 GGADMN O=S(=O)([N-][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cc(F)cc1F ZINC000060499485 1407991458 /nfs/dbraw/zinc/99/14/58/1407991458.db2.gz VUTSMRJIISNHTO-OAHLLOKOSA-N 0 1 384.423 3.047 20 0 GGADMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(N2CCCC2)cc1 ZINC000060531186 1407997196 /nfs/dbraw/zinc/99/71/96/1407997196.db2.gz KJAJUFRWMVZKIA-UHFFFAOYSA-N 0 1 380.477 3.198 20 0 GGADMN CN(C(=O)CSc1nc(-c2cccnc2)n[nH]1)[C@@H]1CCCc2ccccc21 ZINC000060531115 1407997251 /nfs/dbraw/zinc/99/72/51/1407997251.db2.gz XBBGFLOFZUIAMI-QGZVFWFLSA-N 0 1 379.489 3.495 20 0 GGADMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000060530843 1407997372 /nfs/dbraw/zinc/99/73/72/1407997372.db2.gz HBONJQTZCLUXNN-UHFFFAOYSA-N 0 1 386.437 3.346 20 0 GGADMN CCN1CCN(c2ccc(CNC(=O)N3CCc4ccc(Cl)cc43)cn2)CC1 ZINC000060545599 1407999663 /nfs/dbraw/zinc/99/96/63/1407999663.db2.gz CEADDYCHKOKHAA-UHFFFAOYSA-N 0 1 399.926 3.149 20 0 GGADMN Cc1cc(OCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)ccc1Cl ZINC000060547441 1407999843 /nfs/dbraw/zinc/99/98/43/1407999843.db2.gz HAKVDQBDMROVFW-UHFFFAOYSA-N 0 1 387.911 3.413 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCc2ccc(F)cc21 ZINC000060546039 1407999981 /nfs/dbraw/zinc/99/99/81/1407999981.db2.gz UBOMSSLWURPAHP-UHFFFAOYSA-N 0 1 382.483 3.110 20 0 GGADMN C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662536 1428281265 /nfs/dbraw/zinc/28/12/65/1428281265.db2.gz MMOAHKYVAXPWMD-INIZCTEOSA-N 0 1 392.507 3.244 20 0 GGADMN CCOC(=O)C1C(CNc2cc(F)ccc2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000060556419 1408001965 /nfs/dbraw/zinc/00/19/65/1408001965.db2.gz IHUKQTVBFQBQIT-IBGZPJMESA-N 0 1 383.423 3.417 20 0 GGADMN CCNC(=O)NC(=O)CN(Cc1c(OC)ccc2ccccc21)C1CCCC1 ZINC000060564390 1408003929 /nfs/dbraw/zinc/00/39/29/1408003929.db2.gz YONROHPKFUHNMR-UHFFFAOYSA-N 0 1 383.492 3.439 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCC(C)(C)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000060576093 1408005244 /nfs/dbraw/zinc/00/52/44/1408005244.db2.gz VFTCLACIKSGYIB-HOTGVXAUSA-N 0 1 381.948 3.416 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000060601004 1408008966 /nfs/dbraw/zinc/00/89/66/1408008966.db2.gz WALGSAUYVISISS-UHFFFAOYSA-N 0 1 396.472 3.271 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000060613420 1408012098 /nfs/dbraw/zinc/01/20/98/1408012098.db2.gz FBCOFZJTGOCBQQ-UHFFFAOYSA-N 0 1 389.503 3.244 20 0 GGADMN O=C(Nc1cccc(Cn2cccn2)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000060626528 1408013794 /nfs/dbraw/zinc/01/37/94/1408013794.db2.gz BYVMHWMBPHGUPR-UHFFFAOYSA-N 0 1 377.429 3.495 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000060798434 1408035200 /nfs/dbraw/zinc/03/52/00/1408035200.db2.gz IOPYTUXENTUXNA-UHFFFAOYSA-N 0 1 388.475 3.489 20 0 GGADMN CCN(CC)c1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000060796028 1408035408 /nfs/dbraw/zinc/03/54/08/1408035408.db2.gz GNRSTDVUSBSJRU-UHFFFAOYSA-N 0 1 394.563 3.080 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2C(=O)OC)cc1 ZINC000060839539 1408040080 /nfs/dbraw/zinc/04/00/80/1408040080.db2.gz OPOATDUCCWRCDW-UHFFFAOYSA-N 0 1 391.445 3.013 20 0 GGADMN CC[C@@H](C)NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000060894046 1408047832 /nfs/dbraw/zinc/04/78/32/1408047832.db2.gz CPJIUJMZDYOMNB-OAHLLOKOSA-N 0 1 386.462 3.315 20 0 GGADMN Cc1ccc(CC(=O)OCC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000060902131 1408049339 /nfs/dbraw/zinc/04/93/39/1408049339.db2.gz LFUIQHGYRFQLEZ-UHFFFAOYSA-N 0 1 394.515 3.124 20 0 GGADMN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)N2CCCC2)cc1 ZINC000060920491 1408051486 /nfs/dbraw/zinc/05/14/86/1408051486.db2.gz OQTAXAZIAHFHPK-GOSISDBHSA-N 0 1 380.460 3.389 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N3CCC[C@H]3CC3CCCCC3)ccn2)CC1 ZINC000060989556 1408061970 /nfs/dbraw/zinc/06/19/70/1408061970.db2.gz XOSFKPOADMYFGM-NRFANRHFSA-N 0 1 399.583 3.478 20 0 GGADMN CCc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000061002653 1408062967 /nfs/dbraw/zinc/06/29/67/1408062967.db2.gz SXQGWYPPRSZRTC-HXUWFJFHSA-N 0 1 395.528 3.378 20 0 GGADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000061002671 1408063133 /nfs/dbraw/zinc/06/31/33/1408063133.db2.gz QGOSVANQRZKMRQ-OAQYLSRUSA-N 0 1 395.528 3.184 20 0 GGADMN COc1cc(CN[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000061002601 1408063187 /nfs/dbraw/zinc/06/31/87/1408063187.db2.gz SLORAPHNDJVNGZ-QGZVFWFLSA-N 0 1 395.908 3.204 20 0 GGADMN 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CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176599603 1428376079 /nfs/dbraw/zinc/37/60/79/1428376079.db2.gz RLSZGAPDQQOVOR-RTBURBONSA-N 0 1 389.540 3.036 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000067443695 1409119978 /nfs/dbraw/zinc/11/99/78/1409119978.db2.gz NERQOUWOZUOJOG-KRWDZBQOSA-N 0 1 395.482 3.448 20 0 GGADMN CCNC(=O)COc1ccc(CNCc2nccc3ccccc32)cc1OC ZINC000067451041 1409121302 /nfs/dbraw/zinc/12/13/02/1409121302.db2.gz SPXVTEHJCFMLRY-UHFFFAOYSA-N 0 1 379.460 3.048 20 0 GGADMN COc1cc2c(cc1CN[C@H](C)c1ccc(OCCO)c(OC)c1)O[C@@H](C)C2 ZINC000067449396 1409121602 /nfs/dbraw/zinc/12/16/02/1409121602.db2.gz WJGIGDYCVAGDCS-LSDHHAIUSA-N 0 1 387.476 3.249 20 0 GGADMN CCN(CC(=O)NCC(C)(C)N1CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000067458259 1409124390 /nfs/dbraw/zinc/12/43/90/1409124390.db2.gz ATMBIONOPLIAPZ-QGZVFWFLSA-N 0 1 387.524 3.043 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000067460410 1409124803 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3.241 20 0 GGADMN C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000067505293 1409139665 /nfs/dbraw/zinc/13/96/65/1409139665.db2.gz WAZAZKUWTFULGO-GFCCVEGCSA-N 0 1 396.896 3.334 20 0 GGADMN COc1cc(CN[C@@H](C)C(=O)NC(C)(C)C)ccc1OCc1c(C)noc1C ZINC000067502647 1409139905 /nfs/dbraw/zinc/13/99/05/1409139905.db2.gz QQXDLTXNUNOOFI-AWEZNQCLSA-N 0 1 389.496 3.272 20 0 GGADMN CCOc1c(Br)cc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000067502545 1409140085 /nfs/dbraw/zinc/14/00/85/1409140085.db2.gz KASDAUBCMOQJKJ-NSHDSACASA-N 0 1 387.318 3.249 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN[C@@H](C)C(=O)NC(C)(C)C)c2)cc1 ZINC000067502641 1409140327 /nfs/dbraw/zinc/14/03/27/1409140327.db2.gz VQCSKCILGQYFJY-HNNXBMFYSA-N 0 1 383.492 3.340 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1ccc(OC)c(OC)c1)c1ccco1 ZINC000067507590 1409140432 /nfs/dbraw/zinc/14/04/32/1409140432.db2.gz KRYKQKMLINKCAV-INIZCTEOSA-N 0 1 375.469 3.179 20 0 GGADMN Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000067528148 1409147133 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CCCN1CCN(c2ccc(NC(=O)NCc3cc(C)on3)cc2Cl)CC1 ZINC000067583950 1409175377 /nfs/dbraw/zinc/17/53/77/1409175377.db2.gz GXOHPLOHAVLCBG-UHFFFAOYSA-N 0 1 391.903 3.490 20 0 GGADMN CCO[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)C1 ZINC000067590029 1409177886 /nfs/dbraw/zinc/17/78/86/1409177886.db2.gz LYFLPOPBNOVXAO-MJGOQNOKSA-N 0 1 375.513 3.043 20 0 GGADMN CCO[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)C1 ZINC000067604924 1409184315 /nfs/dbraw/zinc/18/43/15/1409184315.db2.gz DIDNVJZQUJVTLO-ICSRJNTNSA-N 0 1 389.540 3.433 20 0 GGADMN CCO[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)C1 ZINC000067604921 1409184491 /nfs/dbraw/zinc/18/44/91/1409184491.db2.gz DIDNVJZQUJVTLO-QUCCMNQESA-N 0 1 389.540 3.433 20 0 GGADMN C[C@H](NC(=O)CCn1c(-c2cccs2)n[n-]c1=S)C(C)(C)C[NH+](C)C ZINC000176638404 1428387534 /nfs/dbraw/zinc/38/75/34/1428387534.db2.gz LGGQYHJUQJONDY-LBPRGKRZSA-N 0 1 381.571 3.152 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000176638382 1428387583 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O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Cn2cccn2)cc1 ZINC000069201276 1409584706 /nfs/dbraw/zinc/58/47/06/1409584706.db2.gz NVSIICDJTUEGBL-IBGZPJMESA-N 0 1 379.464 3.483 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(F)cc1 ZINC000069222861 1409590042 /nfs/dbraw/zinc/59/00/42/1409590042.db2.gz CLGADHBLCPYRNS-UTKZUKDTSA-N 0 1 384.499 3.175 20 0 GGADMN CN1CCN(C[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CC2)c2ccccc2)CC1 ZINC000069260335 1409597475 /nfs/dbraw/zinc/59/74/75/1409597475.db2.gz DYRBWCGYLLZMGI-PKTZIBPZSA-N 0 1 392.547 3.426 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069275140 1409602136 /nfs/dbraw/zinc/60/21/36/1409602136.db2.gz DLMSPWDVSUKQTQ-DENIHFKCSA-N 0 1 380.536 3.344 20 0 GGADMN Cc1ccc(CNC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c(C)c1 ZINC000069279461 1409603034 /nfs/dbraw/zinc/60/30/34/1409603034.db2.gz DGVILXRMSYWKMU-QFIPXVFZSA-N 0 1 380.536 3.091 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)COC[C@H]3CCCO3)cc2Cl)CC1 ZINC000069295451 1409607834 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COc1ccc(OC)c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000069365545 1409623101 /nfs/dbraw/zinc/62/31/01/1409623101.db2.gz GVGJNAJWUNIKCD-IBGZPJMESA-N 0 1 384.476 3.279 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000069374715 1409624433 /nfs/dbraw/zinc/62/44/33/1409624433.db2.gz OZEGABJGFWJLQA-UHFFFAOYSA-N 0 1 379.420 3.123 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H]1CCOc2ccc(F)cc21)c1cccc(F)c1 ZINC000069385016 1409625649 /nfs/dbraw/zinc/62/56/49/1409625649.db2.gz DHDZNNUFPBPKOB-ZWKOTPCHSA-N 0 1 375.419 3.391 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(N2CCCC2)nn1 ZINC000069391810 1409626533 /nfs/dbraw/zinc/62/65/33/1409626533.db2.gz OUUUSBSMCLZYLS-QGZVFWFLSA-N 0 1 378.436 3.057 20 0 GGADMN CCCCN(CCOC)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000069399251 1409627543 /nfs/dbraw/zinc/62/75/43/1409627543.db2.gz MTQGGVPSIWAFGM-KDURUIRLSA-N 0 1 391.556 3.254 20 0 GGADMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000069403134 1409628849 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3.067 20 0 GGADMN CCCCOc1cccc(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069925752 1409725737 /nfs/dbraw/zinc/72/57/37/1409725737.db2.gz PCKRJZYUOPVEFH-FQEVSTJZSA-N 0 1 389.540 3.119 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)c2C1 ZINC000069931159 1409726804 /nfs/dbraw/zinc/72/68/04/1409726804.db2.gz HDJCMECXBOFLKD-IRXDYDNUSA-N 0 1 399.535 3.013 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)c2C1 ZINC000069931158 1409726936 /nfs/dbraw/zinc/72/69/36/1409726936.db2.gz HDJCMECXBOFLKD-SJORKVTESA-N 0 1 399.535 3.013 20 0 GGADMN CCO[C@@H]1CCCN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)C1 ZINC000069933554 1409727994 /nfs/dbraw/zinc/72/79/94/1409727994.db2.gz PWAMWKFNOZIQBR-FUHWJXTLSA-N 0 1 387.524 3.013 20 0 GGADMN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069936582 1409729195 /nfs/dbraw/zinc/72/91/95/1409729195.db2.gz UNHADBNABBKOTR-UTKZUKDTSA-N 0 1 389.515 3.421 20 0 GGADMN O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069970560 1409733293 /nfs/dbraw/zinc/73/32/93/1409733293.db2.gz MQPIHGAJHSFAIC-SFHVURJKSA-N 0 1 392.499 3.495 20 0 GGADMN COc1ccccc1C(C)(C)C(=O)NNC(=O)c1ccc(Br)s1 ZINC000069975765 1409733629 /nfs/dbraw/zinc/73/36/29/1409733629.db2.gz YETKUQTWUKPBLQ-UHFFFAOYSA-N 0 1 397.294 3.258 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1c(C)nn(C)c1C)N1CCCC1 ZINC000069976940 1409733891 /nfs/dbraw/zinc/73/38/91/1409733891.db2.gz CTVKYEGEHMYVPR-DNVCBOLYSA-N 0 1 384.524 3.102 20 0 GGADMN COc1ccccc1-c1nc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000069986238 1409734927 /nfs/dbraw/zinc/73/49/27/1409734927.db2.gz PHCVPLCERBRDOF-HUUCEWRRSA-N 0 1 389.521 3.048 20 0 GGADMN CC(=O)CCc1ccc(OCCC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000070017573 1409739429 /nfs/dbraw/zinc/73/94/29/1409739429.db2.gz RLCPCMXOPYEKMJ-HXUWFJFHSA-N 0 1 388.533 3.458 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826167961 1428426477 /nfs/dbraw/zinc/42/64/77/1428426477.db2.gz XPBWDXWYSHQYQL-FPOVZHCZSA-N 0 1 393.491 3.475 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826167961 1428426481 /nfs/dbraw/zinc/42/64/81/1428426481.db2.gz XPBWDXWYSHQYQL-FPOVZHCZSA-N 0 1 393.491 3.475 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826167961 1428426484 /nfs/dbraw/zinc/42/64/84/1428426484.db2.gz XPBWDXWYSHQYQL-FPOVZHCZSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C2(C(=O)N3CCC(CN4CCOCC4)CC3)CCCC2)cc1 ZINC000070029031 1409741679 /nfs/dbraw/zinc/74/16/79/1409741679.db2.gz PVHNITFXYDQKBG-UHFFFAOYSA-N 0 1 386.536 3.078 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1c(C)nn(C)c1C)N1CCCCC1 ZINC000070032837 1409742774 /nfs/dbraw/zinc/74/27/74/1409742774.db2.gz VKWFSLJHOAUBGO-JXFKEZNVSA-N 0 1 398.551 3.492 20 0 GGADMN O=C(NCC1(c2ccccc2)CCCC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000070059563 1409744976 /nfs/dbraw/zinc/74/49/76/1409744976.db2.gz AWIYMMZKTHKJHY-HXUWFJFHSA-N 0 1 385.552 3.252 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCc2ccc(F)cc2F)N(C)C)c1 ZINC000070058209 1409745291 /nfs/dbraw/zinc/74/52/91/1409745291.db2.gz NTCIXYTWTISWPO-IBGZPJMESA-N 0 1 377.435 3.118 20 0 GGADMN O=C(NC1CCC(c2ccccc2)CC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000070060180 1409745693 /nfs/dbraw/zinc/74/56/93/1409745693.db2.gz BJMIVLHNQNSBRG-KPQWGBOZSA-N 0 1 385.552 3.467 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000176712028 1428427046 /nfs/dbraw/zinc/42/70/46/1428427046.db2.gz VDVMIKCSYOBCGS-UHFFFAOYSA-N 0 1 376.391 3.030 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000070688592 1409751201 /nfs/dbraw/zinc/75/12/01/1409751201.db2.gz GYYALFHTABPXIH-KRWDZBQOSA-N 0 1 389.883 3.096 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1OC1CCCC1)c1ccccc1 ZINC000070688401 1409751330 /nfs/dbraw/zinc/75/13/30/1409751330.db2.gz UDLQZJJDNFNNSF-HXUWFJFHSA-N 0 1 395.503 3.366 20 0 GGADMN CC(=O)N[C@H]1CCCN(C(=O)CN([C@@H](C)c2ccc3ccccc3c2)C2CC2)C1 ZINC000070694202 1409752906 /nfs/dbraw/zinc/75/29/06/1409752906.db2.gz QNBMLYJPMQEWJC-JTSKRJEESA-N 0 1 393.531 3.492 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000070703344 1409755623 /nfs/dbraw/zinc/75/56/23/1409755623.db2.gz ZGXSPFIXSKATKC-IBGZPJMESA-N 0 1 388.943 3.190 20 0 GGADMN O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000070706344 1409756400 /nfs/dbraw/zinc/75/64/00/1409756400.db2.gz RQQCITFPRFXRMO-UHFFFAOYSA-N 0 1 382.379 3.038 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000070723224 1409758738 /nfs/dbraw/zinc/75/87/38/1409758738.db2.gz CPLRGOWRPSHGEM-MRXNPFEDSA-N 0 1 389.521 3.285 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cnc2ccccc2c1 ZINC000070749623 1409763123 /nfs/dbraw/zinc/76/31/23/1409763123.db2.gz ILGHGNJYTBBLPZ-SFHVURJKSA-N 0 1 394.500 3.188 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cnc2ccccc2c1 ZINC000070749571 1409763305 /nfs/dbraw/zinc/76/33/05/1409763305.db2.gz UNATZRIVBFJLCT-OAQYLSRUSA-N 0 1 388.471 3.127 20 0 GGADMN CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000070749547 1409763372 /nfs/dbraw/zinc/76/33/72/1409763372.db2.gz AMMPDMRJIZNURN-IBGZPJMESA-N 0 1 399.466 3.116 20 0 GGADMN COc1cc(C)sc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000070818172 1409783590 /nfs/dbraw/zinc/78/35/90/1409783590.db2.gz UYANDAYZFIBPHX-AWEZNQCLSA-N 0 1 391.512 3.447 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2nnc[nH]2)cc1 ZINC000070825084 1409784517 /nfs/dbraw/zinc/78/45/17/1409784517.db2.gz KEGOJNJMAWJVQC-UHFFFAOYSA-N 0 1 376.395 3.035 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN(C)Cc1cc(Cl)ccc1OC ZINC000070869985 1409794292 /nfs/dbraw/zinc/79/42/92/1409794292.db2.gz YOLWFXHFEOUSKK-SFHVURJKSA-N 0 1 379.884 3.367 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCOc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000070897428 1409800014 /nfs/dbraw/zinc/80/00/14/1409800014.db2.gz NZHYFWFOBGONEN-UXLLHSPISA-N 0 1 398.906 3.348 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCOc2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000070897440 1409800109 /nfs/dbraw/zinc/80/01/09/1409800109.db2.gz NZHYFWFOBGONEN-INMHGKMJSA-N 0 1 398.906 3.348 20 0 GGADMN CCN(CC)CCN(Cc1ccccc1)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000070906134 1409801219 /nfs/dbraw/zinc/80/12/19/1409801219.db2.gz GQXFDHDDIPUKDU-UHFFFAOYSA-N 0 1 388.533 3.074 20 0 GGADMN CCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000070905904 1409801304 /nfs/dbraw/zinc/80/13/04/1409801304.db2.gz RTQZSXWCFUPELX-UHFFFAOYSA-N 0 1 388.533 3.074 20 0 GGADMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCN1CCOCC1)CC2 ZINC000070978120 1409810020 /nfs/dbraw/zinc/81/00/20/1409810020.db2.gz WSPIVYZDSUXMOE-OAQYLSRUSA-N 0 1 388.533 3.045 20 0 GGADMN COc1ccc([C@H](NCc2ccc(OCC(N)=O)cc2)c2ccccc2)cc1 ZINC000071006349 1409811558 /nfs/dbraw/zinc/81/15/58/1409811558.db2.gz FKEVLOJDFAZXPH-HSZRJFAPSA-N 0 1 376.456 3.439 20 0 GGADMN O=C(CCCc1nc(-c2cccs2)no1)Nc1ccn(-c2ccncc2)n1 ZINC000071027335 1409814188 /nfs/dbraw/zinc/81/41/88/1409814188.db2.gz RQBMLALSHWCCRI-UHFFFAOYSA-N 0 1 380.433 3.340 20 0 GGADMN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071028813 1409814296 /nfs/dbraw/zinc/81/42/96/1409814296.db2.gz ZFGPHOXGYWIACF-ZDUSSCGKSA-N 0 1 399.451 3.105 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccn(-c4ccncc4)n3)C2)cc1 ZINC000071028042 1409814363 /nfs/dbraw/zinc/81/43/63/1409814363.db2.gz GCMJXXWCBBVJNU-SFHVURJKSA-N 0 1 389.459 3.067 20 0 GGADMN CSc1ncc(C(=O)Nc2ccn(-c3ccncc3)n2)n1-c1ccccc1 ZINC000071038897 1409815102 /nfs/dbraw/zinc/81/51/02/1409815102.db2.gz QWPSQBMANOVHMU-UHFFFAOYSA-N 0 1 376.445 3.427 20 0 GGADMN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071040030 1409815109 /nfs/dbraw/zinc/81/51/09/1409815109.db2.gz YXTATOPXEYJRPB-ZDUSSCGKSA-N 0 1 382.445 3.173 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000071100005 1409821556 /nfs/dbraw/zinc/82/15/56/1409821556.db2.gz DOLGNBOUDATXHM-NRFANRHFSA-N 0 1 388.471 3.008 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000071100002 1409821577 /nfs/dbraw/zinc/82/15/77/1409821577.db2.gz DOLGNBOUDATXHM-OAQYLSRUSA-N 0 1 388.471 3.008 20 0 GGADMN COc1ccc(CN(CC(=O)N2CC(=O)Nc3ccccc32)[C@@H](C)C2CC2)cc1 ZINC000071113835 1409822368 /nfs/dbraw/zinc/82/23/68/1409822368.db2.gz PPCLKJOBXUOYGC-INIZCTEOSA-N 0 1 393.487 3.281 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNCC(=O)N(C)Cc1ccccc1 ZINC000071123152 1409823092 /nfs/dbraw/zinc/82/30/92/1409823092.db2.gz VJMQFMZLKPBMJU-UHFFFAOYSA-N 0 1 376.504 3.296 20 0 GGADMN CCCCN(CC)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC ZINC000071809283 1409825080 /nfs/dbraw/zinc/82/50/80/1409825080.db2.gz FWJYWGRGTFKBOD-UHFFFAOYSA-N 0 1 380.558 3.319 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccccc2N2CCCC2=O)N(C)C)c1 ZINC000071901801 1409829557 /nfs/dbraw/zinc/82/95/57/1409829557.db2.gz NIAJEQNUDURNQH-FQEVSTJZSA-N 0 1 396.491 3.246 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)N(C)C)c1 ZINC000071901959 1409829648 /nfs/dbraw/zinc/82/96/48/1409829648.db2.gz RMKAPNQVVSVKKO-FQEVSTJZSA-N 0 1 396.491 3.468 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)NCC1(c2ccccc2)CCOCC1 ZINC000071913130 1409830023 /nfs/dbraw/zinc/83/00/23/1409830023.db2.gz QNNXEHRBWWJEAJ-FQEVSTJZSA-N 0 1 397.519 3.464 20 0 GGADMN CO[C@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000071916970 1409830127 /nfs/dbraw/zinc/83/01/27/1409830127.db2.gz IZINEONJWQGIEG-QFIPXVFZSA-N 0 1 381.520 3.011 20 0 GGADMN CCOc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000071941425 1409832015 /nfs/dbraw/zinc/83/20/15/1409832015.db2.gz JSPAXCPDJNYRBR-KRWDZBQOSA-N 0 1 382.936 3.132 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000071942351 1409832069 /nfs/dbraw/zinc/83/20/69/1409832069.db2.gz ORIYUUKUUNETIH-IBGZPJMESA-N 0 1 376.545 3.177 20 0 GGADMN COc1ccccc1CN(C[C@H](O)COc1ccccc1F)C[C@H]1CCCO1 ZINC000071949927 1409832372 /nfs/dbraw/zinc/83/23/72/1409832372.db2.gz IRIUDAXBLRUCRF-RBUKOAKNSA-N 0 1 389.467 3.255 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc(C(=O)NC(C)C)cc2)N(C)C)c1 ZINC000071943827 1409832483 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CCN(CC)C(=O)COc1cccc(NC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000074466985 1409872390 /nfs/dbraw/zinc/87/23/90/1409872390.db2.gz LNJDEDMKLLARQA-KRWDZBQOSA-N 0 1 375.513 3.137 20 0 GGADMN CCN1CCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000074496354 1409873035 /nfs/dbraw/zinc/87/30/35/1409873035.db2.gz XCKUGUIGHGTVGN-GOSISDBHSA-N 0 1 377.916 3.429 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)c3cnn(CC)c3)cc2Cl)CC1 ZINC000074512442 1409873084 /nfs/dbraw/zinc/87/30/84/1409873084.db2.gz KWEZAWSSFHNGAC-UHFFFAOYSA-N 0 1 375.904 3.341 20 0 GGADMN C[C@H](C(=O)Nc1cccc(C(=O)N2CCSCC2)c1)N1CCCCCC1 ZINC000074538302 1409873350 /nfs/dbraw/zinc/87/33/50/1409873350.db2.gz GWWXQSHLUKGOIU-MRXNPFEDSA-N 0 1 375.538 3.079 20 0 GGADMN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000074680571 1409875372 /nfs/dbraw/zinc/87/53/72/1409875372.db2.gz PZQCTISWKDLNAI-QFIPXVFZSA-N 0 1 380.536 3.442 20 0 GGADMN Cc1cccnc1[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(C)C ZINC000074678408 1409875509 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1411658012 /nfs/dbraw/zinc/65/80/12/1411658012.db2.gz RFKCNLUABWUDOA-GASCZTMLSA-N 0 1 382.464 3.019 20 0 GGADMN CNC(=O)c1ccc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000109004170 1411659248 /nfs/dbraw/zinc/65/92/48/1411659248.db2.gz NDMCVKLHPNTHLE-UHFFFAOYSA-N 0 1 385.895 3.048 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(n2cccn2)CC1 ZINC000109006816 1411659679 /nfs/dbraw/zinc/65/96/79/1411659679.db2.gz ZLCPLOAKCVHCII-AWEZNQCLSA-N 0 1 378.879 3.360 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(n2cccn2)CC1 ZINC000109007777 1411660093 /nfs/dbraw/zinc/66/00/93/1411660093.db2.gz JQPVUVZSAZHYFC-ZDUSSCGKSA-N 0 1 382.386 3.446 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc(N(C)C)c(F)c2)N2CCCC2)cc1 ZINC000109027230 1411665561 /nfs/dbraw/zinc/66/55/61/1411665561.db2.gz AOQLXXUHGFVHHY-OAQYLSRUSA-N 0 1 385.483 3.467 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)[nH]n1 ZINC000109056564 1411671702 /nfs/dbraw/zinc/67/17/02/1411671702.db2.gz WBJXZJGASQJAGN-UHFFFAOYSA-N 0 1 398.492 3.453 20 0 GGADMN Cc1ccc(C)c(OCCCCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000109051005 1411671840 /nfs/dbraw/zinc/67/18/40/1411671840.db2.gz JYBHBBFUDNRNOM-WOJBJXKFSA-N 0 1 376.541 3.468 20 0 GGADMN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000177091964 1428585566 /nfs/dbraw/zinc/58/55/66/1428585566.db2.gz ZUPYFKKJANVURE-INIZCTEOSA-N 0 1 393.491 3.120 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000109109961 1411686511 /nfs/dbraw/zinc/68/65/11/1411686511.db2.gz VEFUGMKJTQVSHS-AWEZNQCLSA-N 0 1 377.485 3.036 20 0 GGADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000109118329 1411687310 /nfs/dbraw/zinc/68/73/10/1411687310.db2.gz LAHUYAFUVSEERV-UHFFFAOYSA-N 0 1 398.488 3.303 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2ccccc2OCCc2ccccc2)CC1 ZINC000109157682 1411696311 /nfs/dbraw/zinc/69/63/11/1411696311.db2.gz XZVOOPGPFSRMKG-UHFFFAOYSA-N 0 1 397.519 3.229 20 0 GGADMN CC(C)CC(=O)Nc1cccc(CNC(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000109157442 1411696447 /nfs/dbraw/zinc/69/64/47/1411696447.db2.gz QKJVVKLTLBVCHS-UHFFFAOYSA-N 0 1 377.444 3.443 20 0 GGADMN CN(Cc1ccccc1)c1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000109159185 1411697059 /nfs/dbraw/zinc/69/70/59/1411697059.db2.gz CWXHQCBKXDSATJ-UHFFFAOYSA-N 0 1 396.535 3.243 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1 ZINC000109158915 1411697311 /nfs/dbraw/zinc/69/73/11/1411697311.db2.gz OBBWDTCWLWMLHP-UHFFFAOYSA-N 0 1 397.519 3.229 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 ZINC000109160248 1411697619 /nfs/dbraw/zinc/69/76/19/1411697619.db2.gz WYYVHMLCPXJSBK-UHFFFAOYSA-N 0 1 389.540 3.456 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC000109160164 1411697627 /nfs/dbraw/zinc/69/76/27/1411697627.db2.gz QERNPCBXHAYZGA-UHFFFAOYSA-N 0 1 394.947 3.251 20 0 GGADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000109168606 1411700312 /nfs/dbraw/zinc/70/03/12/1411700312.db2.gz KQOAAKQMFPFNFT-GFCCVEGCSA-N 0 1 382.473 3.309 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H](C)C[C@H](C)C3)n2)c(OC)c1 ZINC000109194412 1411709900 /nfs/dbraw/zinc/70/99/00/1411709900.db2.gz LOLMUEXUWOOSCG-BETUJISGSA-N 0 1 390.509 3.086 20 0 GGADMN COc1ccc(Cn2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cn2)cc1 ZINC000109202425 1411711216 /nfs/dbraw/zinc/71/12/16/1411711216.db2.gz CVVAXVXKRCMHCZ-FQEVSTJZSA-N 0 1 394.475 3.100 20 0 GGADMN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000109233710 1411721807 /nfs/dbraw/zinc/72/18/07/1411721807.db2.gz OMCRKSCASALEOC-DOTOQJQBSA-N 0 1 395.931 3.005 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)C1 ZINC000109239954 1411723136 /nfs/dbraw/zinc/72/31/36/1411723136.db2.gz AVPOBNTXHXLQMV-ICSRJNTNSA-N 0 1 375.557 3.399 20 0 GGADMN COc1ccc(Cn2cc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cn2)cc1 ZINC000109249615 1411726034 /nfs/dbraw/zinc/72/60/34/1411726034.db2.gz VIMAUZZRLKOVLC-OAQYLSRUSA-N 0 1 396.466 3.112 20 0 GGADMN NC(=O)CCSc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000109272540 1411730346 /nfs/dbraw/zinc/73/03/46/1411730346.db2.gz FVKKUGACRYLWDJ-UHFFFAOYSA-N 0 1 384.436 3.436 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000109295222 1411735221 /nfs/dbraw/zinc/73/52/21/1411735221.db2.gz FKIUFKXBISZASY-JOCHJYFZSA-N 0 1 398.466 3.472 20 0 GGADMN CCc1ccccc1N1C[C@H](C(=O)NC[C@H](c2ccco2)N(CC)CC)CC1=O ZINC000109301086 1411736422 /nfs/dbraw/zinc/73/64/22/1411736422.db2.gz SPHCJZPSBFCQHP-UYAOXDASSA-N 0 1 397.519 3.394 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccco1 ZINC000109301693 1411736442 /nfs/dbraw/zinc/73/64/42/1411736442.db2.gz SCOKJEWRJFXXLW-IBGZPJMESA-N 0 1 383.492 3.465 20 0 GGADMN CC(C)N(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000109310155 1411737864 /nfs/dbraw/zinc/73/78/64/1411737864.db2.gz GNMFFLKXMMONRT-UHFFFAOYSA-N 0 1 397.447 3.044 20 0 GGADMN C[C@H](N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)C(F)(F)F ZINC000177114945 1428591577 /nfs/dbraw/zinc/59/15/77/1428591577.db2.gz IVPNRJHAUBTRBS-NSHDSACASA-N 0 1 386.805 3.439 20 0 GGADMN COC(=O)c1coc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000109327909 1411742404 /nfs/dbraw/zinc/74/24/04/1411742404.db2.gz MOTHGQGAKCRCCG-AWEZNQCLSA-N 0 1 389.427 3.239 20 0 GGADMN CC(C)(C)CCNC(=O)CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000109327922 1411742417 /nfs/dbraw/zinc/74/24/17/1411742417.db2.gz GSQCVFDVVVVBPK-MRXNPFEDSA-N 0 1 392.519 3.212 20 0 GGADMN CC(C)(C)[C@H](NCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(N)=O ZINC000109329943 1411743195 /nfs/dbraw/zinc/74/31/95/1411743195.db2.gz PJYJREPDVRDORN-RTBURBONSA-N 0 1 387.911 3.035 20 0 GGADMN CC(C)(C)[C@H](NCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C(N)=O ZINC000109330482 1411743402 /nfs/dbraw/zinc/74/34/02/1411743402.db2.gz BIXRUFJRHMZVBL-RTBURBONSA-N 0 1 387.911 3.035 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC000109356929 1411747330 /nfs/dbraw/zinc/74/73/30/1411747330.db2.gz WCPDVOSZJHFFTG-ROUUACIJSA-N 0 1 382.508 3.032 20 0 GGADMN CSCc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000109388849 1411753104 /nfs/dbraw/zinc/75/31/04/1411753104.db2.gz HANUIFYSILUSKL-HXUWFJFHSA-N 0 1 385.533 3.090 20 0 GGADMN CSCc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000109388394 1411753326 /nfs/dbraw/zinc/75/33/26/1411753326.db2.gz LMHSVBYPUAJFDS-UHFFFAOYSA-N 0 1 385.537 3.018 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C)Cc2cccnc2)N2CCCCC2)cc1 ZINC000109391641 1411753917 /nfs/dbraw/zinc/75/39/17/1411753917.db2.gz JZPOCWGFSLDSFD-OAQYLSRUSA-N 0 1 382.508 3.459 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000177119172 1428592966 /nfs/dbraw/zinc/59/29/66/1428592966.db2.gz FSIGCKQTKUVPCK-HUUCEWRRSA-N 0 1 388.489 3.367 20 0 GGADMN CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c[nH]c2ncccc21 ZINC000109423540 1411758949 /nfs/dbraw/zinc/75/89/49/1411758949.db2.gz COQIWPPSNNBUGO-UHFFFAOYSA-N 0 1 384.383 3.449 20 0 GGADMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1Cl ZINC000109423043 1411759292 /nfs/dbraw/zinc/75/92/92/1411759292.db2.gz AHNFERNEMXPYAA-UHFFFAOYSA-N 0 1 385.848 3.304 20 0 GGADMN Cc1cc(N2CC[NH+](C)CC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000109423403 1411759414 /nfs/dbraw/zinc/75/94/14/1411759414.db2.gz DHYZMUYBBFOWAH-UHFFFAOYSA-N 0 1 397.903 3.340 20 0 GGADMN C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3Cl)cc2)CC1 ZINC000109423647 1411759638 /nfs/dbraw/zinc/75/96/38/1411759638.db2.gz LHZLTJSTRQDCMZ-UHFFFAOYSA-N 0 1 383.876 3.032 20 0 GGADMN COc1ccccc1S(=O)(=O)[N-]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000109425882 1411760719 /nfs/dbraw/zinc/76/07/19/1411760719.db2.gz WIRLIEWHIIHREA-UHFFFAOYSA-N 0 1 389.521 3.026 20 0 GGADMN COc1ccccc1NC(=O)Cc1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000109431410 1411761965 /nfs/dbraw/zinc/76/19/65/1411761965.db2.gz MZTCQKIMPMRKLK-UHFFFAOYSA-N 0 1 393.378 3.456 20 0 GGADMN COc1ccc(CC(=O)Nc2cccc(CN3CCSCC3)c2)cc1OC ZINC000109484235 1411772288 /nfs/dbraw/zinc/77/22/88/1411772288.db2.gz PLNYWBALQBBAHJ-UHFFFAOYSA-N 0 1 386.517 3.434 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000109485313 1411772302 /nfs/dbraw/zinc/77/23/02/1411772302.db2.gz FLXCZNPMVBKZGQ-FQEVSTJZSA-N 0 1 381.501 3.367 20 0 GGADMN O=C(Nc1ccccc1CN1CCSCC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000109483571 1411772422 /nfs/dbraw/zinc/77/24/22/1411772422.db2.gz NHWDPAIQQUVNDO-UHFFFAOYSA-N 0 1 395.484 3.436 20 0 GGADMN NC(=O)C1(NCC(=O)Nc2cccc(CSc3ccccn3)c2)CCCCC1 ZINC000177123203 1428594970 /nfs/dbraw/zinc/59/49/70/1428594970.db2.gz KIXKVLQABUWJLW-UHFFFAOYSA-N 0 1 398.532 3.090 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000109527599 1411779069 /nfs/dbraw/zinc/77/90/69/1411779069.db2.gz RFZMANQTCFUHAL-UHFFFAOYSA-N 0 1 394.500 3.033 20 0 GGADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177124620 1428595442 /nfs/dbraw/zinc/59/54/42/1428595442.db2.gz ZKQIPBRUIJYXNB-XCLFUZPHSA-N 0 1 398.482 3.431 20 0 GGADMN CCn1c(=O)c2ccc(-c3nc(Cc4ccc(OC)cc4)no3)cc2[nH]c1=S ZINC000109551847 1411785106 /nfs/dbraw/zinc/78/51/06/1411785106.db2.gz LNRMWCMMHWGVGX-UHFFFAOYSA-N 0 1 394.456 3.355 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2Br)C1 ZINC000109670434 1411802771 /nfs/dbraw/zinc/80/27/71/1411802771.db2.gz ZRKLWWSTXAJZDF-CYBMUJFWSA-N 0 1 399.333 3.029 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000109680482 1411803412 /nfs/dbraw/zinc/80/34/12/1411803412.db2.gz IILAZOVMZLBGFT-CTNGQTDRSA-N 0 1 385.552 3.415 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCCN(CC(=O)N2CCCc3ccccc32)C1 ZINC000109681702 1411803463 /nfs/dbraw/zinc/80/34/63/1411803463.db2.gz HVBUWPHVFFCLSP-HXUWFJFHSA-N 0 1 385.552 3.374 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Sc3ccccn3)cc2)C[C@@H](C)O1 ZINC000109697255 1411805036 /nfs/dbraw/zinc/80/50/36/1411805036.db2.gz DBAGOTLLXZOWFH-IAGOWNOFSA-N 0 1 385.533 3.462 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000109699941 1411805386 /nfs/dbraw/zinc/80/53/86/1411805386.db2.gz JFUHWEKXGKYSCT-CQSZACIVSA-N 0 1 379.464 3.165 20 0 GGADMN C[C@H](N1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1)C(F)(F)F ZINC000177131144 1428597099 /nfs/dbraw/zinc/59/70/99/1428597099.db2.gz QVQGQWNFWRIVCU-NSHDSACASA-N 0 1 386.805 3.439 20 0 GGADMN Cc1csc2nc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc(=O)n12 ZINC000109764456 1411808349 /nfs/dbraw/zinc/80/83/49/1411808349.db2.gz WTQGQSLFKJMULX-UHFFFAOYSA-N 0 1 379.489 3.320 20 0 GGADMN O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)NCCOc1ccc(F)cc1 ZINC000109765518 1411808662 /nfs/dbraw/zinc/80/86/62/1411808662.db2.gz ACGKHEWSVJZIKD-UHFFFAOYSA-N 0 1 396.466 3.077 20 0 GGADMN O=C(CN1CCC(n2ccnc2)CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000109794571 1411810986 /nfs/dbraw/zinc/81/09/86/1411810986.db2.gz YXTVJHMIRVHJAL-UHFFFAOYSA-N 0 1 389.503 3.317 20 0 GGADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(n3ccnc3)CC2)cc1 ZINC000109796165 1411811153 /nfs/dbraw/zinc/81/11/53/1411811153.db2.gz ANIZFIXKXRSHBU-INIZCTEOSA-N 0 1 384.480 3.112 20 0 GGADMN O=S(=O)(Cc1cccc2cccnc21)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000109842096 1411813300 /nfs/dbraw/zinc/81/33/00/1411813300.db2.gz NITLXWPSPIVYEW-NRFANRHFSA-N 0 1 395.528 3.491 20 0 GGADMN O=S(=O)(Cc1cccc2cccnc21)NCCCN1CCc2ccccc2C1 ZINC000109843381 1411813309 /nfs/dbraw/zinc/81/33/09/1411813309.db2.gz BFVMNDVTTVTYRN-UHFFFAOYSA-N 0 1 395.528 3.103 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2ccccc2OC)CC1 ZINC000109847409 1411814156 /nfs/dbraw/zinc/81/41/56/1411814156.db2.gz HJTYDSZAUHSRPE-KRWDZBQOSA-N 0 1 399.510 3.396 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000109866974 1411815116 /nfs/dbraw/zinc/81/51/16/1411815116.db2.gz BHRSQKIWBBJBSX-UXHICEINSA-N 0 1 381.524 3.230 20 0 GGADMN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000109885930 1411816414 /nfs/dbraw/zinc/81/64/14/1411816414.db2.gz SWHZSNVDCDBNHV-UHFFFAOYSA-N 0 1 398.488 3.381 20 0 GGADMN O=C(c1n[nH]cc1Br)N1CCC(c2nc3ccccc3o2)CC1 ZINC000109930123 1411819309 /nfs/dbraw/zinc/81/93/09/1411819309.db2.gz DUQQOPLULCCLTJ-UHFFFAOYSA-N 0 1 375.226 3.333 20 0 GGADMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]cc1Br ZINC000109934992 1411819536 /nfs/dbraw/zinc/81/95/36/1411819536.db2.gz IFOHLRKOASJJRJ-UHFFFAOYSA-N 0 1 377.286 3.435 20 0 GGADMN COc1ccc(-c2csc(NC(=O)c3nnc4ccccc4c3O)n2)cc1F ZINC000109937393 1411819659 /nfs/dbraw/zinc/81/96/59/1411819659.db2.gz JANYVUKUMUTGDH-UHFFFAOYSA-N 0 1 396.403 3.447 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)c1nnc2ccccc2c1O ZINC000109951222 1411820503 /nfs/dbraw/zinc/82/05/03/1411820503.db2.gz GTENZICSAMZXCX-UHFFFAOYSA-N 0 1 378.251 3.019 20 0 GGADMN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1nnc2ccccc2c1O ZINC000109955362 1411820848 /nfs/dbraw/zinc/82/08/48/1411820848.db2.gz VBNFGQPJALUGGT-UHFFFAOYSA-N 0 1 385.427 3.375 20 0 GGADMN O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1nnc2ccccc2c1[O-] ZINC000109955362 1411820849 /nfs/dbraw/zinc/82/08/49/1411820849.db2.gz VBNFGQPJALUGGT-UHFFFAOYSA-N 0 1 385.427 3.375 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000109953505 1411820988 /nfs/dbraw/zinc/82/09/88/1411820988.db2.gz VCTRBEKMAWNNSO-UHFFFAOYSA-N 0 1 378.819 3.256 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1nnc2ccccc2c1O ZINC000109956215 1411821381 /nfs/dbraw/zinc/82/13/81/1411821381.db2.gz SHMJNEUGKOJDHH-UHFFFAOYSA-N 0 1 397.862 3.055 20 0 GGADMN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1nnc2ccccc2c1O ZINC000109961204 1411821613 /nfs/dbraw/zinc/82/16/13/1411821613.db2.gz RGVHXIDMOXHDIY-UHFFFAOYSA-N 0 1 390.374 3.180 20 0 GGADMN CN(C(=O)c1c[nH]c2ccccc2c1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000109967192 1411821997 /nfs/dbraw/zinc/82/19/97/1411821997.db2.gz UADALJWNDVMVGC-SFHVURJKSA-N 0 1 395.846 3.059 20 0 GGADMN Cc1nc(Cl)sc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177135439 1428598663 /nfs/dbraw/zinc/59/86/63/1428598663.db2.gz SISVYLSZXAKNPN-LLVKDONJSA-N 0 1 396.919 3.487 20 0 GGADMN C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1cc(F)ccc1N1CCN(C)CC1 ZINC000110058482 1411828505 /nfs/dbraw/zinc/82/85/05/1411828505.db2.gz UKQJCIHHPSPQMO-KRWDZBQOSA-N 0 1 395.522 3.486 20 0 GGADMN CN(C)c1ccc(NC(=O)c2nnc3ccccc3c2O)c(C(F)(F)F)c1 ZINC000110059124 1411828602 /nfs/dbraw/zinc/82/86/02/1411828602.db2.gz OXNSKQBGHFJHIO-UHFFFAOYSA-N 0 1 376.338 3.260 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2n[nH]cc2Br)[nH]1 ZINC000110060071 1411828643 /nfs/dbraw/zinc/82/86/43/1411828643.db2.gz QCNXDOXEXLDXFN-UHFFFAOYSA-N 0 1 375.230 3.333 20 0 GGADMN O=C(NC1(c2ccc(Br)cc2)CC1)c1nnc2ccccc2c1O ZINC000110062693 1411828760 /nfs/dbraw/zinc/82/87/60/1411828760.db2.gz ZYWBEKVUDYYUNU-UHFFFAOYSA-N 0 1 384.233 3.105 20 0 GGADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]cc2Br)c1 ZINC000110062725 1411828802 /nfs/dbraw/zinc/82/88/02/1411828802.db2.gz APVUMZVPFABNSO-CQSZACIVSA-N 0 1 394.269 3.002 20 0 GGADMN Cc1ccc(NC(=O)c2nnc3ccccc3c2O)c(OC[C@H]2CCCO2)c1 ZINC000110061512 1411828939 /nfs/dbraw/zinc/82/89/39/1411828939.db2.gz OMNUTRDQKFUMNF-CQSZACIVSA-N 0 1 379.416 3.042 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC(C2OCCO2)CC1 ZINC000110083772 1411830656 /nfs/dbraw/zinc/83/06/56/1411830656.db2.gz PNUBOIVIXAXYEW-UHFFFAOYSA-N 0 1 384.476 3.305 20 0 GGADMN O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000110247441 1411840075 /nfs/dbraw/zinc/84/00/75/1411840075.db2.gz SOMXCPCSUSPLIM-UHFFFAOYSA-N 0 1 383.839 3.206 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CC[C@H]2CCCCO2)CC1 ZINC000110263719 1411841097 /nfs/dbraw/zinc/84/10/97/1411841097.db2.gz QIAKATUTCVHZCW-IEBWSBKVSA-N 0 1 391.531 3.494 20 0 GGADMN COc1ccc(CN(C(=O)C2=COCCO2)c2ccc3nc(C)[nH]c3c2)cc1 ZINC000110313541 1411843808 /nfs/dbraw/zinc/84/38/08/1411843808.db2.gz PVLANPVHGDZYAS-UHFFFAOYSA-N 0 1 379.416 3.301 20 0 GGADMN CC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000110560366 1411857421 /nfs/dbraw/zinc/85/74/21/1411857421.db2.gz UAGMZQQGFMZUKI-CQSZACIVSA-N 0 1 376.478 3.367 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](SCc2ccccc2)C(C)C)C1 ZINC000110583333 1411858469 /nfs/dbraw/zinc/85/84/69/1411858469.db2.gz XORGCKJJXOTTMZ-VQTJNVASSA-N 0 1 378.582 3.417 20 0 GGADMN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cccc2cnccc21 ZINC000110588586 1411859033 /nfs/dbraw/zinc/85/90/33/1411859033.db2.gz LHXOKAPSEASWND-UHFFFAOYSA-N 0 1 379.445 3.314 20 0 GGADMN CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[NH+](C)C ZINC000110629595 1411861188 /nfs/dbraw/zinc/86/11/88/1411861188.db2.gz ZWNSSPQNMGPHSP-GOSISDBHSA-N 0 1 375.494 3.012 20 0 GGADMN CC[C@H](Sc1ccccc1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000110633377 1411861436 /nfs/dbraw/zinc/86/14/36/1411861436.db2.gz OPPJBNOBJAVAHV-IBGZPJMESA-N 0 1 384.549 3.021 20 0 GGADMN CC[C@H](Sc1ccccc1)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000110665868 1411862977 /nfs/dbraw/zinc/86/29/77/1411862977.db2.gz PKVLJBZBEAVFAC-IBGZPJMESA-N 0 1 384.549 3.021 20 0 GGADMN C[C@H](Sc1nncn1C)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000110669493 1411863091 /nfs/dbraw/zinc/86/30/91/1411863091.db2.gz PRSJJYCUHOWVGK-NSHDSACASA-N 0 1 385.497 3.017 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2oc(=O)n(C)c2c1)N1CCC(Cc2ccccc2)CC1 ZINC000110686506 1411863901 /nfs/dbraw/zinc/86/39/01/1411863901.db2.gz FKEGBIRSQZSMOE-INIZCTEOSA-N 0 1 393.487 3.413 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)ccc1C(N)=O ZINC000110714630 1411865201 /nfs/dbraw/zinc/86/52/01/1411865201.db2.gz DXKVBZKVGBHACF-KRWDZBQOSA-N 0 1 379.504 3.376 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)C2)CC1 ZINC000110743495 1411867596 /nfs/dbraw/zinc/86/75/96/1411867596.db2.gz PIJPUOJTOSTPIE-DJIMGWMZSA-N 0 1 396.362 3.335 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000110773007 1411869130 /nfs/dbraw/zinc/86/91/30/1411869130.db2.gz SFHFRUHSUVHZAP-HNNXBMFYSA-N 0 1 382.443 3.408 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000110773004 1411869187 /nfs/dbraw/zinc/86/91/87/1411869187.db2.gz SFHFRUHSUVHZAP-OAHLLOKOSA-N 0 1 382.443 3.408 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCC(c2nncn2C2CC2)CC1)c1ccccc1 ZINC000110809493 1411871088 /nfs/dbraw/zinc/87/10/88/1411871088.db2.gz STPARTKJSNFKRN-HXUWFJFHSA-N 0 1 381.524 3.402 20 0 GGADMN CCN(CC)[C@H](C(=O)NCCc1nc2c(cccc2F)n1C)c1ccccc1 ZINC000110822772 1411872124 /nfs/dbraw/zinc/87/21/24/1411872124.db2.gz LLSYWCXDCZKGGD-NRFANRHFSA-N 0 1 382.483 3.454 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H](C3OCCO3)C2)o1 ZINC000110845364 1411873227 /nfs/dbraw/zinc/87/32/27/1411873227.db2.gz RCARFHDLMUGWMD-INIZCTEOSA-N 0 1 396.447 3.285 20 0 GGADMN COc1ccc(-c2nc(CN3CCC[C@@H](C4OCCO4)C3)cs2)c(OC)c1 ZINC000110846999 1411873427 /nfs/dbraw/zinc/87/34/27/1411873427.db2.gz BLPUAVFULNMMDJ-CQSZACIVSA-N 0 1 390.505 3.412 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000110849887 1411873591 /nfs/dbraw/zinc/87/35/91/1411873591.db2.gz CLBYQELRIDJOHN-UHFFFAOYSA-N 0 1 377.370 3.285 20 0 GGADMN CC(C)c1cccc(OCC(=O)NCc2ccccc2N2CCN(C)CC2)c1 ZINC000110953591 1411878908 /nfs/dbraw/zinc/87/89/08/1411878908.db2.gz UBOBIABPXUVPGF-UHFFFAOYSA-N 0 1 381.520 3.257 20 0 GGADMN C[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)OCCO2)N(C)Cc1ccccc1 ZINC000110965341 1411879297 /nfs/dbraw/zinc/87/92/97/1411879297.db2.gz NEIYQVMXTPXXBD-QGZVFWFLSA-N 0 1 396.487 3.057 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1)c1ccccc1 ZINC000110968413 1411879439 /nfs/dbraw/zinc/87/94/39/1411879439.db2.gz CLMKIGRSUAPLSS-OAQYLSRUSA-N 0 1 394.519 3.364 20 0 GGADMN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000110974774 1411879770 /nfs/dbraw/zinc/87/97/70/1411879770.db2.gz JRHVBOQOJBQRLS-MRXNPFEDSA-N 0 1 380.554 3.029 20 0 GGADMN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(S(C)(=O)=O)ccc2C)C1 ZINC000110976851 1411879951 /nfs/dbraw/zinc/87/99/51/1411879951.db2.gz XZLDBRRLQJYGCQ-MRXNPFEDSA-N 0 1 380.554 3.029 20 0 GGADMN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)C1 ZINC000110975641 1411880118 /nfs/dbraw/zinc/88/01/18/1411880118.db2.gz IDBNVSHFOOXNNI-QGZVFWFLSA-N 0 1 394.581 3.499 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1 ZINC000111034788 1411883509 /nfs/dbraw/zinc/88/35/09/1411883509.db2.gz BTRBTMHZAVSOSY-QFIPXVFZSA-N 0 1 381.520 3.427 20 0 GGADMN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1cccc2c1OCCO2 ZINC000111054621 1411884500 /nfs/dbraw/zinc/88/45/00/1411884500.db2.gz HPNPJMCQZUNAFE-IBGZPJMESA-N 0 1 382.504 3.181 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)CC2CCC2)c1 ZINC000111070310 1411885723 /nfs/dbraw/zinc/88/57/23/1411885723.db2.gz NHNYGKRBXLNWLG-UHFFFAOYSA-N 0 1 388.489 3.368 20 0 GGADMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(-c3c(C)nn(C)c3C)[nH]n1)CCC2 ZINC000111128618 1411889152 /nfs/dbraw/zinc/88/91/52/1411889152.db2.gz KEMNXKYHPJBOLD-INIZCTEOSA-N 0 1 384.509 3.342 20 0 GGADMN CCOCCN1CCN(Cn2nc(Nc3cccc(F)c3)sc2=S)CC1 ZINC000111164487 1411892797 /nfs/dbraw/zinc/89/27/97/1411892797.db2.gz FYSIYTZAPRQMAV-UHFFFAOYSA-N 0 1 397.545 3.168 20 0 GGADMN CCOCCN1CCN(Cn2nc(-c3cc(C)cc(C)c3)oc2=S)CC1 ZINC000111164128 1411892941 /nfs/dbraw/zinc/89/29/41/1411892941.db2.gz ZGYGEMQKBAMZMD-UHFFFAOYSA-N 0 1 376.526 3.101 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(Cn2c3ccccc3nc2SC(F)F)C1 ZINC000111170478 1411893265 /nfs/dbraw/zinc/89/32/65/1411893265.db2.gz GOWWIIOEARYRCM-ZDUSSCGKSA-N 0 1 380.464 3.395 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCN1Cn1nc(-c2ccncc2)n(C)c1=S ZINC000111172232 1411893643 /nfs/dbraw/zinc/89/36/43/1411893643.db2.gz CSCBUDDMYDMKMF-QGZVFWFLSA-N 0 1 394.548 3.177 20 0 GGADMN Cc1cc(C)n2c(nn(CN3CCN(Cc4ccccc4)C[C@H]3C)c2=S)n1 ZINC000111172146 1411893667 /nfs/dbraw/zinc/89/36/67/1411893667.db2.gz VFARKHFHHSWLBT-QGZVFWFLSA-N 0 1 382.537 3.041 20 0 GGADMN O=c1[nH]c2ccccc2cc1CN1CCN(c2nc3ccccc3s2)CC1 ZINC000111200876 1411895605 /nfs/dbraw/zinc/89/56/05/1411895605.db2.gz SWTMOPKZTBVMOW-UHFFFAOYSA-N 0 1 376.485 3.460 20 0 GGADMN O=C(CN1CCCC[C@H]1CCO)NCc1ccc(COc2ccccc2)cc1 ZINC000111240335 1411897152 /nfs/dbraw/zinc/89/71/52/1411897152.db2.gz KSHPJUAPRVAUCI-NRFANRHFSA-N 0 1 382.504 3.119 20 0 GGADMN O=C(CN1CCCC[C@H]1CCO)NCc1ccccc1COc1ccccc1 ZINC000111240254 1411897378 /nfs/dbraw/zinc/89/73/78/1411897378.db2.gz SNFRPALRWZADSK-NRFANRHFSA-N 0 1 382.504 3.119 20 0 GGADMN COC(=O)CCN(Cc1ccc(F)c(F)c1)C[C@H](O)c1c(F)cccc1F ZINC000111256027 1411897795 /nfs/dbraw/zinc/89/77/95/1411897795.db2.gz XYCOGEAWENKIEQ-KRWDZBQOSA-N 0 1 385.357 3.342 20 0 GGADMN O=C(CN1CCC(c2c[nH]c3cc(F)ccc32)CC1)NC(=O)NCc1ccco1 ZINC000111260729 1411898200 /nfs/dbraw/zinc/89/82/00/1411898200.db2.gz IQBCWTJPEZASBB-UHFFFAOYSA-N 0 1 398.438 3.105 20 0 GGADMN CNC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000111264952 1411898614 /nfs/dbraw/zinc/89/86/14/1411898614.db2.gz QOWWATSBDAKVDA-RHSMWYFYSA-N 0 1 398.334 3.115 20 0 GGADMN CNC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000111265134 1411898735 /nfs/dbraw/zinc/89/87/35/1411898735.db2.gz IQWSTLQIFIVAFO-PXNSSMCTSA-N 0 1 379.504 3.062 20 0 GGADMN CNC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000111264954 1411898788 /nfs/dbraw/zinc/89/87/88/1411898788.db2.gz QOWWATSBDAKVDA-WMLDXEAASA-N 0 1 398.334 3.115 20 0 GGADMN COc1ccc(OC)c(CN(CCO)CCC(=O)Nc2cccc(Cl)c2)c1 ZINC000111271577 1411898853 /nfs/dbraw/zinc/89/88/53/1411898853.db2.gz RUVMAPJMCYSWAV-UHFFFAOYSA-N 0 1 392.883 3.180 20 0 GGADMN C[C@H](O)C1CC[NH+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000111284910 1411899603 /nfs/dbraw/zinc/89/96/03/1411899603.db2.gz UCOLJFIMSYJEBN-LBPRGKRZSA-N 0 1 387.480 3.384 20 0 GGADMN COc1cccc(NC2CCN(CC(=O)N(C)Cc3ccccc3OC)CC2)c1 ZINC000111304690 1411907280 /nfs/dbraw/zinc/90/72/80/1411907280.db2.gz FEWINYPSJFHHDW-UHFFFAOYSA-N 0 1 397.519 3.239 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000111372909 1411930201 /nfs/dbraw/zinc/93/02/01/1411930201.db2.gz LPWPQOPWTDZMTC-SUMWQHHRSA-N 0 1 381.505 3.308 20 0 GGADMN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(OCc2ccccc2)cc1 ZINC000111373410 1411931018 /nfs/dbraw/zinc/93/10/18/1411931018.db2.gz DUJAMMGGLPPTLG-JTSKRJEESA-N 0 1 390.487 3.455 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000111374572 1411931947 /nfs/dbraw/zinc/93/19/47/1411931947.db2.gz KOEHRPLFOABKLR-HIFRSBDPSA-N 0 1 379.888 3.044 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000111373922 1411932611 /nfs/dbraw/zinc/93/26/11/1411932611.db2.gz CHJCNBWPFCARPJ-SJKOYZFVSA-N 0 1 399.495 3.447 20 0 GGADMN Cn1cc(N2CC[C@@H](N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)C2=O)cn1 ZINC000111378187 1411934157 /nfs/dbraw/zinc/93/41/57/1411934157.db2.gz ZKIHRFCGRPFPQT-NHCUHLMSSA-N 0 1 396.441 3.377 20 0 GGADMN COc1cccc([C@@H](O)CNCc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000111393742 1411938054 /nfs/dbraw/zinc/93/80/54/1411938054.db2.gz DOHCQQHKCZIWKU-KRWDZBQOSA-N 0 1 384.457 3.371 20 0 GGADMN COc1cc(CN[C@@H](C)C(=O)NCc2ccco2)ccc1OCC(F)(F)F ZINC000111399337 1411940972 /nfs/dbraw/zinc/94/09/72/1411940972.db2.gz XKKJRCFGTKEINN-LBPRGKRZSA-N 0 1 386.370 3.024 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CNCC(=O)NC3CCCCC3)c2)cc1 ZINC000111400287 1411942438 /nfs/dbraw/zinc/94/24/38/1411942438.db2.gz ULVBLMRUPQKKFK-UHFFFAOYSA-N 0 1 395.503 3.486 20 0 GGADMN O=C(CNCc1ccc(OCc2ccncc2)cc1)NCCc1ccccc1 ZINC000111400301 1411943503 /nfs/dbraw/zinc/94/35/03/1411943503.db2.gz JNFWZMNIOSBLGX-UHFFFAOYSA-N 0 1 375.472 3.109 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NC[C@@H](C(CC)CC)N2CCOCC2)cs1 ZINC000111448902 1411958472 /nfs/dbraw/zinc/95/84/72/1411958472.db2.gz LNQFPLMRTVETAZ-YOEHRIQHSA-N 0 1 382.574 3.203 20 0 GGADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CCc2nc[nH]n2)cc1Cl ZINC000177171234 1428611559 /nfs/dbraw/zinc/61/15/59/1428611559.db2.gz MLFAKYTUEAILNW-GFCCVEGCSA-N 0 1 375.860 3.044 20 0 GGADMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CCc2nc[nH]n2)cc1Cl ZINC000177171251 1428611961 /nfs/dbraw/zinc/61/19/61/1428611961.db2.gz MLFAKYTUEAILNW-LBPRGKRZSA-N 0 1 375.860 3.044 20 0 GGADMN CCc1cc(N2CCC(NC(=O)[C@@H](c3ccccc3)N(CC)CC)CC2)ncn1 ZINC000177179261 1428616369 /nfs/dbraw/zinc/61/63/69/1428616369.db2.gz LZPXRUSKJNOOPV-JOCHJYFZSA-N 0 1 395.551 3.207 20 0 GGADMN COc1ccccc1-c1csc(NC(=O)c2nnc3ccccc3c2O)n1 ZINC000111565614 1411992166 /nfs/dbraw/zinc/99/21/66/1411992166.db2.gz KQULYARSWPYYBU-UHFFFAOYSA-N 0 1 378.413 3.308 20 0 GGADMN C[C@@H](NC(=O)c1nnc2ccccc2c1O)c1ccc(OCC(F)(F)F)cc1 ZINC000111581083 1411996073 /nfs/dbraw/zinc/99/60/73/1411996073.db2.gz HSOWTPANZKOJHU-LLVKDONJSA-N 0 1 391.349 3.355 20 0 GGADMN 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VDRABUQRNMGJLU-RBUKOAKNSA-N 0 1 385.512 3.358 20 0 GGADMN Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)C2)c1 ZINC000111795863 1412030461 /nfs/dbraw/zinc/03/04/61/1412030461.db2.gz VDRABUQRNMGJLU-MOPGFXCFSA-N 0 1 385.512 3.358 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCc3cccc(Cl)c3)n2)cc1 ZINC000111802844 1412030722 /nfs/dbraw/zinc/03/07/22/1412030722.db2.gz YWWUWKLQGLFRPF-UHFFFAOYSA-N 0 1 385.855 3.176 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCc3cccc(Cl)c3)n[nH]2)cc1 ZINC000111802844 1412030725 /nfs/dbraw/zinc/03/07/25/1412030725.db2.gz YWWUWKLQGLFRPF-UHFFFAOYSA-N 0 1 385.855 3.176 20 0 GGADMN CC[C@@H](NC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1)c1ccc(OC)cc1 ZINC000111803683 1412031522 /nfs/dbraw/zinc/03/15/22/1412031522.db2.gz OMGTYDKEDPOJDJ-GOSISDBHSA-N 0 1 395.463 3.439 20 0 GGADMN CC[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1)c1ccc(OC)cc1 ZINC000111803683 1412031535 /nfs/dbraw/zinc/03/15/35/1412031535.db2.gz OMGTYDKEDPOJDJ-GOSISDBHSA-N 0 1 395.463 3.439 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)c3cc(C)ccc3OC)n2)cc1 ZINC000111806397 1412032564 /nfs/dbraw/zinc/03/25/64/1412032564.db2.gz UCLIKYHVXOFABX-AWEZNQCLSA-N 0 1 395.463 3.358 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](C)c3cc(C)ccc3OC)n[nH]2)cc1 ZINC000111806397 1412032571 /nfs/dbraw/zinc/03/25/71/1412032571.db2.gz UCLIKYHVXOFABX-AWEZNQCLSA-N 0 1 395.463 3.358 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N3CCCC4(CCCCC4)C3)cn2)CC1 ZINC000111810785 1412033035 /nfs/dbraw/zinc/03/30/35/1412033035.db2.gz CHDINXPSWHIONQ-UHFFFAOYSA-N 0 1 385.556 3.089 20 0 GGADMN CN(CCn1cccn1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000111816201 1412033313 /nfs/dbraw/zinc/03/33/13/1412033313.db2.gz KMQMYMOLZJIZSC-GOSISDBHSA-N 0 1 375.904 3.015 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N3CCCC4(CCCCC4)C3)ccn2)CC1 ZINC000111814416 1412033656 /nfs/dbraw/zinc/03/36/56/1412033656.db2.gz LEJCOAUHIRECSI-UHFFFAOYSA-N 0 1 385.556 3.089 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCC3(c4ccc(F)cc4)CC3)n2)cc1 ZINC000111827923 1412034851 /nfs/dbraw/zinc/03/48/51/1412034851.db2.gz OIMDRKSUFRGTHS-UHFFFAOYSA-N 0 1 395.438 3.150 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCC3(c4ccc(F)cc4)CC3)n[nH]2)cc1 ZINC000111827923 1412034857 /nfs/dbraw/zinc/03/48/57/1412034857.db2.gz OIMDRKSUFRGTHS-UHFFFAOYSA-N 0 1 395.438 3.150 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCc3c(C)cc(C)cc3C)n2)cc1 ZINC000111844700 1412036629 /nfs/dbraw/zinc/03/66/29/1412036629.db2.gz IUXSSQBMPPFBJO-UHFFFAOYSA-N 0 1 379.464 3.405 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCc3c(C)cc(C)cc3C)n[nH]2)cc1 ZINC000111844700 1412036636 /nfs/dbraw/zinc/03/66/36/1412036636.db2.gz IUXSSQBMPPFBJO-UHFFFAOYSA-N 0 1 379.464 3.405 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)c1 ZINC000177183928 1428619353 /nfs/dbraw/zinc/61/93/53/1428619353.db2.gz OEJUAXBWHYBSQE-UHFFFAOYSA-N 0 1 393.447 3.463 20 0 GGADMN C[C@H](OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990169 1412062785 /nfs/dbraw/zinc/06/27/85/1412062785.db2.gz ZAXXQLDJKPCLDQ-VSQKUCPKSA-N 0 1 379.869 3.275 20 0 GGADMN C[C@H](OC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990488 1412062814 /nfs/dbraw/zinc/06/28/14/1412062814.db2.gz RKZZSZYNMBYNLJ-NSHDSACASA-N 0 1 382.807 3.231 20 0 GGADMN C[C@@H](OC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990491 1412062847 /nfs/dbraw/zinc/06/28/47/1412062847.db2.gz RKZZSZYNMBYNLJ-LLVKDONJSA-N 0 1 382.807 3.231 20 0 GGADMN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990145 1412062938 /nfs/dbraw/zinc/06/29/38/1412062938.db2.gz AKTXOYSWUQBBFH-VIFPVBQESA-N 0 1 383.791 3.360 20 0 GGADMN C[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989257 1412063121 /nfs/dbraw/zinc/06/31/21/1412063121.db2.gz IKAUIBLASXJWJU-AAEUAGOBSA-N 0 1 375.856 3.469 20 0 GGADMN C[C@@H](OC(=O)Cn1c(=O)cnc2ccccc21)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989142 1412063312 /nfs/dbraw/zinc/06/33/12/1412063312.db2.gz YKADHXFBELDWBV-LLVKDONJSA-N 0 1 382.807 3.231 20 0 GGADMN C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1)[NH+]1CCOCC1 ZINC000111994806 1412063540 /nfs/dbraw/zinc/06/35/40/1412063540.db2.gz UVLUBEPNGRPVLV-ZDUSSCGKSA-N 0 1 382.432 3.159 20 0 GGADMN C[C@H](OC(=O)[C@H](C)Sc1nnnn1C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990940 1412063571 /nfs/dbraw/zinc/06/35/71/1412063571.db2.gz XZKKCIYCPBOKHD-IUCAKERBSA-N 0 1 392.872 3.323 20 0 GGADMN C[C@H](OC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990869 1412064139 /nfs/dbraw/zinc/06/41/39/1412064139.db2.gz XEGPNEOTJRLDEN-NSHDSACASA-N 0 1 397.822 3.016 20 0 GGADMN CN(Cc1nc2c(s1)CCCC2)c1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825992071 1428619911 /nfs/dbraw/zinc/61/99/11/1428619911.db2.gz NXDLUPHFQFVNRC-UHFFFAOYSA-N 0 1 381.509 3.112 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCC[NH+](C)C)c2)c1 ZINC000111995923 1412064439 /nfs/dbraw/zinc/06/44/39/1412064439.db2.gz SPCIMPDMALEWHC-UHFFFAOYSA-N 0 1 376.478 3.021 20 0 GGADMN FC(F)(F)COCCCN1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000112076434 1412074261 /nfs/dbraw/zinc/07/42/61/1412074261.db2.gz QKNWCMGZZRLBEG-UHFFFAOYSA-N 0 1 386.443 3.296 20 0 GGADMN CCS[C@@H]1CCCCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000112088366 1412075092 /nfs/dbraw/zinc/07/50/92/1412075092.db2.gz OISDZTGFGSXFSH-GOSISDBHSA-N 0 1 375.538 3.125 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccccc1 ZINC000112131137 1412080465 /nfs/dbraw/zinc/08/04/65/1412080465.db2.gz YUEGRJJHNGQDNY-WMZOPIPTSA-N 0 1 384.480 3.133 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C/C2CCOCC2)CC1 ZINC000112174250 1412087686 /nfs/dbraw/zinc/08/76/86/1412087686.db2.gz WGSBIQHCXQEXLL-BBOMDTFKSA-N 0 1 389.515 3.128 20 0 GGADMN Cc1cccc(-c2nc(CC(=O)N3CCC[C@H](CN4CCOCC4)C3)cs2)c1 ZINC000112197865 1412092134 /nfs/dbraw/zinc/09/21/34/1412092134.db2.gz JAYAGIFNEUTSJQ-GOSISDBHSA-N 0 1 399.560 3.232 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000112214938 1412095107 /nfs/dbraw/zinc/09/51/07/1412095107.db2.gz PBJFXYKPOBPVBK-SFHVURJKSA-N 0 1 389.515 3.001 20 0 GGADMN Cc1ccccc1COc1cccc(NC(=O)C(=O)NCCN2CCCCC2)c1 ZINC000112218726 1412095388 /nfs/dbraw/zinc/09/53/88/1412095388.db2.gz GZRQEJBQGFWNSA-UHFFFAOYSA-N 0 1 395.503 3.115 20 0 GGADMN CSc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)o1 ZINC000112243359 1412099884 /nfs/dbraw/zinc/09/98/84/1412099884.db2.gz ZPLHCFLPGAQNAJ-ZDUSSCGKSA-N 0 1 377.485 3.383 20 0 GGADMN Cc1ncc(/C=C/C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000112243355 1412100139 /nfs/dbraw/zinc/10/01/39/1412100139.db2.gz FDVXSRYSZHNWBR-DYLGSBMWSA-N 0 1 388.512 3.233 20 0 GGADMN CCOc1ncc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1Cl ZINC000112270108 1412111403 /nfs/dbraw/zinc/11/14/03/1412111403.db2.gz ZKYIMMTXDHSBOB-QGZVFWFLSA-N 0 1 377.872 3.175 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000112277093 1412117840 /nfs/dbraw/zinc/11/78/40/1412117840.db2.gz CRVUOJKJHLSTJY-UHFFFAOYSA-N 0 1 391.475 3.038 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)NC1(c2ccc(Cl)cc2)CC1 ZINC000112298165 1412126623 /nfs/dbraw/zinc/12/66/23/1412126623.db2.gz XOHRTNNBENJTRT-UHFFFAOYSA-N 0 1 382.851 3.142 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000112361247 1412135254 /nfs/dbraw/zinc/13/52/54/1412135254.db2.gz DJMWPMVDRJHEKK-UHFFFAOYSA-N 0 1 398.912 3.227 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN(C)[C@H](c1ccccc1C)C(C)C)c1ccccc1 ZINC000112357850 1412135589 /nfs/dbraw/zinc/13/55/89/1412135589.db2.gz VTTNGZDALIVLEG-VXKWHMMOSA-N 0 1 381.520 3.227 20 0 GGADMN COc1cc([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc(OC)c1OC ZINC000112366745 1412135908 /nfs/dbraw/zinc/13/59/08/1412135908.db2.gz NGEFSXFLEIORPK-XJKSGUPXSA-N 0 1 388.439 3.308 20 0 GGADMN COc1cc(CN[C@H]2CCN(c3ccccc3F)C2=O)cc(Cl)c1OC ZINC000112367089 1412136148 /nfs/dbraw/zinc/13/61/48/1412136148.db2.gz JTIQCWALKMUSBL-HNNXBMFYSA-N 0 1 378.831 3.391 20 0 GGADMN CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000112428261 1412144667 /nfs/dbraw/zinc/14/46/67/1412144667.db2.gz NSZUCOAFIHEWFN-UHFFFAOYSA-N 0 1 393.553 3.102 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N[C@H](C)c3cccc(O)c3)CC2)c1 ZINC000112440103 1412146766 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Cc1nc2n(n1)C[C@@H](N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 ZINC000112549636 1412167608 /nfs/dbraw/zinc/16/76/08/1412167608.db2.gz CXYHAAYLIFLSRT-ICSRJNTNSA-N 0 1 379.439 3.010 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCCC[C@H]2CCO)cs1 ZINC000112583324 1412172554 /nfs/dbraw/zinc/17/25/54/1412172554.db2.gz ZKJSXCFVOSXVAY-SFHVURJKSA-N 0 1 385.533 3.245 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1N1C(=O)CCC1=O ZINC000112624759 1412179335 /nfs/dbraw/zinc/17/93/35/1412179335.db2.gz OKAGIWVJUWMDHW-UHFFFAOYSA-N 0 1 396.827 3.242 20 0 GGADMN COc1ccccc1CC(C)(C)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000112627941 1412180185 /nfs/dbraw/zinc/18/01/85/1412180185.db2.gz OOWCMGSZTXGVKQ-UHFFFAOYSA-N 0 1 382.508 3.049 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccnc(SCC(F)(F)F)c1 ZINC000112631042 1412181870 /nfs/dbraw/zinc/18/18/70/1412181870.db2.gz UVKWQFVKYMGNEE-UHFFFAOYSA-N 0 1 380.355 3.168 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000112631035 1412181881 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COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000112699056 1412195074 /nfs/dbraw/zinc/19/50/74/1412195074.db2.gz WCJKLMONSQNEJL-QHCPKHFHSA-N 0 1 397.519 3.387 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccc(F)cc1 ZINC000112700328 1412197245 /nfs/dbraw/zinc/19/72/45/1412197245.db2.gz AJXZQQLZNNRNTM-YESZJQIVSA-N 0 1 391.531 3.266 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112700585 1412197261 /nfs/dbraw/zinc/19/72/61/1412197261.db2.gz FRLCKBXJJMKGQB-GOSISDBHSA-N 0 1 391.531 3.049 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000112700721 1412198092 /nfs/dbraw/zinc/19/80/92/1412198092.db2.gz LUVXKBHOXOBNMM-IBGZPJMESA-N 0 1 379.589 3.337 20 0 GGADMN COc1ccc(OC(F)F)c(CNC[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000112710256 1412200955 /nfs/dbraw/zinc/20/09/55/1412200955.db2.gz IWPDCWMSQPZCED-LBPRGKRZSA-N 0 1 389.345 3.104 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112731649 1412205145 /nfs/dbraw/zinc/20/51/45/1412205145.db2.gz RERKIZJIKRDSDN-AZUAARDMSA-N 0 1 387.568 3.298 20 0 GGADMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000112746488 1412209833 /nfs/dbraw/zinc/20/98/33/1412209833.db2.gz CZMXAEWISXLVEF-NRFANRHFSA-N 0 1 395.551 3.372 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)c2)CC1 ZINC000112800264 1412218963 /nfs/dbraw/zinc/21/89/63/1412218963.db2.gz OSXZSAZOYXIACS-WOJBJXKFSA-N 0 1 385.458 3.454 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000112821293 1412221717 /nfs/dbraw/zinc/22/17/17/1412221717.db2.gz BWHFAMCZEZUJKS-FKEKPDDDSA-N 0 1 378.463 3.250 20 0 GGADMN CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCN1CCc2ccccc2C1 ZINC000112864721 1412227223 /nfs/dbraw/zinc/22/72/23/1412227223.db2.gz NKDRZEXBOJJSDU-UHFFFAOYSA-N 0 1 379.504 3.459 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000112871380 1412228542 /nfs/dbraw/zinc/22/85/42/1412228542.db2.gz BUJMSDAHXPPJCA-AWEZNQCLSA-N 0 1 391.874 3.422 20 0 GGADMN COc1ccccc1NCC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000112874409 1412228936 /nfs/dbraw/zinc/22/89/36/1412228936.db2.gz MILVQNSCDGNUMB-FQEVSTJZSA-N 0 1 397.519 3.459 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)n2)cc1 ZINC000112901267 1412233051 /nfs/dbraw/zinc/23/30/51/1412233051.db2.gz KQQCMAFKNOMDEM-JKSUJKDBSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)n[nH]2)cc1 ZINC000112901267 1412233058 /nfs/dbraw/zinc/23/30/58/1412233058.db2.gz KQQCMAFKNOMDEM-JKSUJKDBSA-N 0 1 384.386 3.178 20 0 GGADMN C[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@@H](C)c1ccccc1 ZINC000177210718 1428634866 /nfs/dbraw/zinc/63/48/66/1428634866.db2.gz XJKKGCVFARXKMP-CABCVRRESA-N 0 1 381.501 3.384 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)s2)on1)N1CCN(C)CC1 ZINC000112914144 1412237566 /nfs/dbraw/zinc/23/75/66/1412237566.db2.gz QYMNUNXAPSHFPJ-CQSZACIVSA-N 0 1 396.944 3.058 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1)N1CCN(C)CC1 ZINC000112914888 1412237602 /nfs/dbraw/zinc/23/76/02/1412237602.db2.gz YNTHLQPBEBFJEK-NRFANRHFSA-N 0 1 381.520 3.481 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)N1CCN(C)CC1 ZINC000112914220 1412237685 /nfs/dbraw/zinc/23/76/85/1412237685.db2.gz CEXNEIHQHQWMTO-JOCHJYFZSA-N 0 1 380.536 3.114 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)N1CCN(C)CC1 ZINC000112914312 1412238021 /nfs/dbraw/zinc/23/80/21/1412238021.db2.gz MAJDHOXCVKATLX-JOCHJYFZSA-N 0 1 378.520 3.323 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccccc1Nc1ccccc1)N1CCN(C)CC1 ZINC000112914729 1412238355 /nfs/dbraw/zinc/23/83/55/1412238355.db2.gz URFYGYVFXXQYHQ-QFIPXVFZSA-N 0 1 380.536 3.432 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2COc2ccccc2)n[nH]1 ZINC000112934104 1412243677 /nfs/dbraw/zinc/24/36/77/1412243677.db2.gz ZAEOROLTNXLHNJ-INIZCTEOSA-N 0 1 379.464 3.111 20 0 GGADMN O=C(CN(Cc1cccc(O)c1)CC1CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000112978651 1412250700 /nfs/dbraw/zinc/25/07/00/1412250700.db2.gz RTZMOACHNOQMQV-NRFANRHFSA-N 0 1 393.531 3.247 20 0 GGADMN COC[C@@H]1CCCN(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 ZINC000112990433 1412251458 /nfs/dbraw/zinc/25/14/58/1412251458.db2.gz WEPOUEKLBFACJG-MRXNPFEDSA-N 0 1 385.533 3.366 20 0 GGADMN COC[C@H]1CCCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000112989331 1412251657 /nfs/dbraw/zinc/25/16/57/1412251657.db2.gz CHJAJXYXHWWKSY-NRFANRHFSA-N 0 1 382.504 3.240 20 0 GGADMN CCc1cc2c(CN(C)[C@@H](CO)c3ccc(OC)cc3)cc(=O)oc2cc1O ZINC000112996720 1412252646 /nfs/dbraw/zinc/25/26/46/1412252646.db2.gz VMEMONVACYSQRP-IBGZPJMESA-N 0 1 383.444 3.235 20 0 GGADMN CCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)ccc1C ZINC000113040907 1412257510 /nfs/dbraw/zinc/25/75/10/1412257510.db2.gz HTYSQDQZPMTUIA-UHFFFAOYSA-N 0 1 395.503 3.424 20 0 GGADMN Cc1nn(C)cc1C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000113046131 1412257769 /nfs/dbraw/zinc/25/77/69/1412257769.db2.gz KVKDMHDOUKGJRP-UHFFFAOYSA-N 0 1 383.496 3.185 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000113185335 1412271608 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3.146 20 0 GGADMN CN(CCc1ccc(Cl)cc1)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000113266208 1412286811 /nfs/dbraw/zinc/28/68/11/1412286811.db2.gz KGKBQAHZJOBGBF-UHFFFAOYSA-N 0 1 399.922 3.023 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNS(=O)(=O)CCC(C)(C)C)cc2)C[C@@H](C)O1 ZINC000113278086 1412287095 /nfs/dbraw/zinc/28/70/95/1412287095.db2.gz RSSXKDJJVHKJSR-IAGOWNOFSA-N 0 1 382.570 3.151 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNS(=O)(=O)CCC(C)(C)C)cc2)C[C@H](C)O1 ZINC000113278082 1412287207 /nfs/dbraw/zinc/28/72/07/1412287207.db2.gz RSSXKDJJVHKJSR-CALCHBBNSA-N 0 1 382.570 3.151 20 0 GGADMN COc1ccc(CN2CCC(CNS(=O)(=O)CCC(C)(C)C)CC2)cc1 ZINC000113284283 1412288074 /nfs/dbraw/zinc/28/80/74/1412288074.db2.gz GAYCRODVHOPMFU-UHFFFAOYSA-N 0 1 382.570 3.263 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000113302756 1412288839 /nfs/dbraw/zinc/28/88/39/1412288839.db2.gz UYUKMONPLYTWKZ-UHFFFAOYSA-N 0 1 380.460 3.250 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)Cc1ccccc1F ZINC000113302855 1412289692 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20 0 GGADMN CN(C)Cc1cc(CNC(=O)NCc2cccc(Cn3ccnc3)c2)ccc1F ZINC000115695640 1412764714 /nfs/dbraw/zinc/76/47/14/1412764714.db2.gz KIZKUAXOTVKTKJ-UHFFFAOYSA-N 0 1 395.482 3.132 20 0 GGADMN CCCC[C@@H](CCC)CNC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000177294030 1428675806 /nfs/dbraw/zinc/67/58/06/1428675806.db2.gz JWCRNSKPCRYEJW-LLVKDONJSA-N 0 1 387.410 3.049 20 0 GGADMN CC(C)[C@H](CNC(=O)NC[C@@H](c1cccs1)N(C)C)NC(=O)OC(C)(C)C ZINC000115780529 1412787115 /nfs/dbraw/zinc/78/71/15/1412787115.db2.gz PGMTWZDGTLSOBW-GJZGRUSLSA-N 0 1 398.573 3.199 20 0 GGADMN CC(C)[C@H](CNC(=O)NC[C@H](c1cccs1)N(C)C)NC(=O)OC(C)(C)C ZINC000115780533 1412787560 /nfs/dbraw/zinc/78/75/60/1412787560.db2.gz PGMTWZDGTLSOBW-LSDHHAIUSA-N 0 1 398.573 3.199 20 0 GGADMN COc1ccc(-c2nnc(CN3CCN(CCc4cccs4)CC3)o2)cc1 ZINC000115816132 1412797386 /nfs/dbraw/zinc/79/73/86/1412797386.db2.gz KOVNSXPAADRDEF-UHFFFAOYSA-N 0 1 384.505 3.167 20 0 GGADMN C[C@H](NC(=O)N(CC1CC1)CC1CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000115816720 1412797432 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GGADMN Cc1cccc([C@@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1C ZINC000115859098 1412803270 /nfs/dbraw/zinc/80/32/70/1412803270.db2.gz KXZBEQWMVAUEGR-WIYYLYMNSA-N 0 1 381.520 3.083 20 0 GGADMN C[C@H](Oc1ccccc1NC(=O)C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000115868046 1412804293 /nfs/dbraw/zinc/80/42/93/1412804293.db2.gz MLWSPYIJZJKABQ-SFHVURJKSA-N 0 1 395.503 3.367 20 0 GGADMN CN(C)Cc1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1F ZINC000115880285 1412808197 /nfs/dbraw/zinc/80/81/97/1412808197.db2.gz NHQMZFURYODSHJ-UHFFFAOYSA-N 0 1 398.265 3.449 20 0 GGADMN CO[C@@H](C)c1cccc(NC(=O)C(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000115890811 1412811064 /nfs/dbraw/zinc/81/10/64/1412811064.db2.gz MUMDVOILLLMKAA-GNZRSQJKSA-N 0 1 387.524 3.055 20 0 GGADMN CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000115890808 1412811078 /nfs/dbraw/zinc/81/10/78/1412811078.db2.gz MUMDVOILLLMKAA-OHTSDLOESA-N 0 1 387.524 3.055 20 0 GGADMN CC(C)(C)CC[NH+]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000115903592 1412813640 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CCS[C@H]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000177305257 1428680094 /nfs/dbraw/zinc/68/00/94/1428680094.db2.gz GCXYYKAUTOOWKC-OALUTQOASA-N 0 1 376.570 3.362 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000116220516 1412844401 /nfs/dbraw/zinc/84/44/01/1412844401.db2.gz CCZYSJDHNKMSNM-FQEVSTJZSA-N 0 1 386.927 3.072 20 0 GGADMN CC(C)(C)n1ncc(NC2CCN(Cc3ccccn3)CC2)c(Cl)c1=O ZINC000116220778 1412844439 /nfs/dbraw/zinc/84/44/39/1412844439.db2.gz XVPQWRNOBAYDJK-UHFFFAOYSA-N 0 1 375.904 3.123 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCc3ccccc3CC2)cc1 ZINC000116300454 1412848310 /nfs/dbraw/zinc/84/83/10/1412848310.db2.gz ZKOPUIIHDZEMNS-UHFFFAOYSA-N 0 1 379.504 3.208 20 0 GGADMN O=C(CCN1CCN(Cc2ccc(Cl)nc2)CC1)Nc1cccc(F)c1 ZINC000116306300 1412848326 /nfs/dbraw/zinc/84/83/26/1412848326.db2.gz QCIBVQWDOGLTAK-UHFFFAOYSA-N 0 1 376.863 3.021 20 0 GGADMN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@H](C(C)(C)C)CC2)c1C ZINC000116308441 1412848779 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GGADMN CCc1nn(C)c(Cl)c1CNC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000116336271 1412851312 /nfs/dbraw/zinc/85/13/12/1412851312.db2.gz PBENGNSXMMJYPU-GFCCVEGCSA-N 0 1 391.821 3.184 20 0 GGADMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000116358507 1412852374 /nfs/dbraw/zinc/85/23/74/1412852374.db2.gz JUUZUAIZYWNHFK-CQSZACIVSA-N 0 1 379.913 3.239 20 0 GGADMN Cc1[nH]c2c(cc(C)cc2CNC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000116380171 1412853237 /nfs/dbraw/zinc/85/32/37/1412853237.db2.gz OFXDBJGQQSEXME-HOTGVXAUSA-N 0 1 386.540 3.392 20 0 GGADMN Cc1[nH]c2c(cc(C)cc2CNC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000116380165 1412853263 /nfs/dbraw/zinc/85/32/63/1412853263.db2.gz OFXDBJGQQSEXME-IYBDPMFKSA-N 0 1 386.540 3.392 20 0 GGADMN CCN(CC)C(=O)[C@@H](NCCOc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000116392063 1412854240 /nfs/dbraw/zinc/85/42/40/1412854240.db2.gz NAQXMFZMVWTWSH-NRFANRHFSA-N 0 1 383.492 3.223 20 0 GGADMN CCN(CC)C(=O)[C@H](NCCOc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000116392058 1412854329 /nfs/dbraw/zinc/85/43/29/1412854329.db2.gz NAQXMFZMVWTWSH-OAQYLSRUSA-N 0 1 383.492 3.223 20 0 GGADMN Cn1nc(-c2ccccc2)c([C@H]2NC(=N)Nc3nc4ccccc4n32)c1Cl ZINC000116401535 1412855173 /nfs/dbraw/zinc/85/51/73/1412855173.db2.gz LECSVVSALRLGHW-KRWDZBQOSA-N 0 1 377.839 3.187 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000116413399 1412856403 /nfs/dbraw/zinc/85/64/03/1412856403.db2.gz WGVAXAWRSMDPJI-UHFFFAOYSA-N 0 1 384.461 3.454 20 0 GGADMN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)NC1CCN(Cc2ccccn2)CC1 ZINC000116419852 1412857142 /nfs/dbraw/zinc/85/71/42/1412857142.db2.gz VTNQOJRMWBFIEB-APWZRJJASA-N 0 1 386.446 3.180 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)NC1CCN(Cc2ccccn2)CC1 ZINC000116419849 1412857219 /nfs/dbraw/zinc/85/72/19/1412857219.db2.gz VTNQOJRMWBFIEB-VQIMIIECSA-N 0 1 386.446 3.180 20 0 GGADMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 ZINC000116431323 1412859135 /nfs/dbraw/zinc/85/91/35/1412859135.db2.gz ICMVETBRQOQNGG-QGZVFWFLSA-N 0 1 395.931 3.400 20 0 GGADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 ZINC000116431326 1412859230 /nfs/dbraw/zinc/85/92/30/1412859230.db2.gz ICMVETBRQOQNGG-KRWDZBQOSA-N 0 1 395.931 3.400 20 0 GGADMN CC(C)Oc1ccc([C@H](O)CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000116464033 1412864492 /nfs/dbraw/zinc/86/44/92/1412864492.db2.gz FEXDNQRKKBQNBR-FGZHOGPDSA-N 0 1 382.504 3.288 20 0 GGADMN CC(C)Oc1ccc([C@H](O)CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000116464029 1412864593 /nfs/dbraw/zinc/86/45/93/1412864593.db2.gz FEXDNQRKKBQNBR-FCHUYYIVSA-N 0 1 382.504 3.288 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccc(-n2ccnc2)nn1)c1ccccc1Cl ZINC000116505502 1412869951 /nfs/dbraw/zinc/86/99/51/1412869951.db2.gz JRDWQRSXVNVJDE-SFHVURJKSA-N 0 1 398.898 3.129 20 0 GGADMN CCc1cc(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)n(C)n1 ZINC000116513981 1412870575 /nfs/dbraw/zinc/87/05/75/1412870575.db2.gz ARYOYIVUXYRSAC-IBGZPJMESA-N 0 1 385.512 3.340 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCc3ccccc3CC2)N(C)C)cc1OC ZINC000116521366 1412871410 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CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118824269 1413235591 /nfs/dbraw/zinc/23/55/91/1413235591.db2.gz WITAZKWXGLDVNG-QGZVFWFLSA-N 0 1 375.513 3.440 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000118835634 1413237080 /nfs/dbraw/zinc/23/70/80/1413237080.db2.gz IBCCVARXVDGZNB-SFHVURJKSA-N 0 1 377.492 3.443 20 0 GGADMN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837743 1413239959 /nfs/dbraw/zinc/23/99/59/1413239959.db2.gz DHUWFGHDVZCUBX-KXBFYZLASA-N 0 1 397.523 3.147 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000118837034 1413240717 /nfs/dbraw/zinc/24/07/17/1413240717.db2.gz VUACIACLCDGLCZ-AUSIDOKSSA-N 0 1 392.547 3.344 20 0 GGADMN O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)NCCc1c(F)cccc1F ZINC000118837499 1413240792 /nfs/dbraw/zinc/24/07/92/1413240792.db2.gz HIVYUBLZVNNOJD-UHFFFAOYSA-N 0 1 398.457 3.379 20 0 GGADMN CCN(CC)C(=O)C1(NCC(=O)Nc2ccccc2OC(F)F)CCCCC1 ZINC000118847204 1413243380 /nfs/dbraw/zinc/24/33/80/1413243380.db2.gz ITBGZMGVBXKDDO-UHFFFAOYSA-N 0 1 397.466 3.387 20 0 GGADMN CCN(CC)C(=O)C1(NCc2cc(=O)oc3cc(OC)ccc23)CCCCC1 ZINC000118847297 1413243403 /nfs/dbraw/zinc/24/34/03/1413243403.db2.gz ZLQMIJYNTWFZHV-UHFFFAOYSA-N 0 1 386.492 3.463 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C(C)C)c1 ZINC000118846800 1413243494 /nfs/dbraw/zinc/24/34/94/1413243494.db2.gz QQHGLVVEHVUSLB-FQEVSTJZSA-N 0 1 386.492 3.161 20 0 GGADMN CC(C)[C@@H](CO)N(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000118846932 1413243710 /nfs/dbraw/zinc/24/37/10/1413243710.db2.gz HDBPAMLQHHQKCX-HXUWFJFHSA-N 0 1 398.503 3.306 20 0 GGADMN CC(C)[C@H](CO)N(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000118846934 1413244281 /nfs/dbraw/zinc/24/42/81/1413244281.db2.gz HDBPAMLQHHQKCX-FQEVSTJZSA-N 0 1 398.503 3.306 20 0 GGADMN CCN(CC)C(=O)C1(NCC(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000118847072 1413244321 /nfs/dbraw/zinc/24/43/21/1413244321.db2.gz PWLWUTZWYBDPCM-UHFFFAOYSA-N 0 1 397.466 3.387 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC(CN2CCCCC2=O)CC1 ZINC000118851346 1413245121 /nfs/dbraw/zinc/24/51/21/1413245121.db2.gz RDBSGWQQXMMXES-KRWDZBQOSA-N 0 1 394.519 3.286 20 0 GGADMN CCc1cc2c(C[NH+]3CCC(CN4CCCCC4=O)CC3)cc(=O)oc2cc1[O-] ZINC000118851571 1413246367 /nfs/dbraw/zinc/24/63/67/1413246367.db2.gz WNWXVWACTSARKT-UHFFFAOYSA-N 0 1 398.503 3.286 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(CN2CCCCC2=O)CC1)c1ccc(F)cc1 ZINC000118852300 1413246570 /nfs/dbraw/zinc/24/65/70/1413246570.db2.gz OTBUITBUYCMPPU-IAGOWNOFSA-N 0 1 389.515 3.116 20 0 GGADMN C[C@@H](CNC(=O)[C@H](C)N1CCC(CN2CCCCC2=O)CC1)c1ccccc1 ZINC000118851390 1413246681 /nfs/dbraw/zinc/24/66/81/1413246681.db2.gz MTIAROXRFLKSLN-OALUTQOASA-N 0 1 385.552 3.019 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)CN2CCC(CN3CCCCC3=O)CC2)cc1C ZINC000118851574 1413247207 /nfs/dbraw/zinc/24/72/07/1413247207.db2.gz ZGSGVNNJCXMSOZ-LJQANCHMSA-N 0 1 385.552 3.205 20 0 GGADMN CC(C)CN(CC(=O)N1CCc2sccc2C1)C[C@@H](O)c1ccc(F)cc1 ZINC000118855016 1413248347 /nfs/dbraw/zinc/24/83/47/1413248347.db2.gz UPDLEROPJSUBHI-LJQANCHMSA-N 0 1 390.524 3.464 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N(Cc3ccco3)Cc3ccco3)cc2)CC1 ZINC000118874850 1413256692 /nfs/dbraw/zinc/25/66/92/1413256692.db2.gz JPGPDZDYPLVXGV-UHFFFAOYSA-N 0 1 393.487 3.463 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(-c4csnn4)cc3)cc2)CC1 ZINC000118880005 1413258262 /nfs/dbraw/zinc/25/82/62/1413258262.db2.gz XXPIVKJAKPEQGZ-UHFFFAOYSA-N 0 1 393.516 3.205 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000118943642 1413267475 /nfs/dbraw/zinc/26/74/75/1413267475.db2.gz RAYCOLSOIBUSPP-BBWFWOEESA-N 0 1 381.480 3.002 20 0 GGADMN COc1ccc(OCCCN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000177387845 1428714408 /nfs/dbraw/zinc/71/44/08/1428714408.db2.gz MBQYUPFLNQFFRI-IBGZPJMESA-N 0 1 396.409 3.473 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(OC)cc2OC)cc1 ZINC000118964155 1413277250 /nfs/dbraw/zinc/27/72/50/1413277250.db2.gz ZDSJGJQAPGAZNE-CQSZACIVSA-N 0 1 378.494 3.316 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Cc3ccccc3F)n2)c(OC)c1 ZINC000118973978 1413283919 /nfs/dbraw/zinc/28/39/19/1413283919.db2.gz SJECSTYZFZZPAB-GFCCVEGCSA-N 0 1 384.411 3.445 20 0 GGADMN CCc1ncc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cn1 ZINC000118982976 1413288910 /nfs/dbraw/zinc/28/89/10/1413288910.db2.gz SCJMIOAECGYASA-LJQANCHMSA-N 0 1 383.496 3.396 20 0 GGADMN C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000118983474 1413289088 /nfs/dbraw/zinc/28/90/88/1413289088.db2.gz WDQQKASVOVOJST-FPOVZHCZSA-N 0 1 380.573 3.465 20 0 GGADMN CC[C@@H](C)Oc1cc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)ccc1OC ZINC000820875933 1428715340 /nfs/dbraw/zinc/71/53/40/1428715340.db2.gz IQVNDMCKQRKYOG-CYBMUJFWSA-N 0 1 385.443 3.482 20 0 GGADMN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000118983566 1413290413 /nfs/dbraw/zinc/29/04/13/1413290413.db2.gz WDQQKASVOVOJST-TZIWHRDSSA-N 0 1 380.573 3.465 20 0 GGADMN C[NH+](C)Cc1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000821587047 1428715370 /nfs/dbraw/zinc/71/53/70/1428715370.db2.gz DFLCYPTZAMEULT-UHFFFAOYSA-N 0 1 393.476 3.271 20 0 GGADMN CCN(CC)[C@H](C(=O)NCc1cnn(C)c1C)c1cccc(C(F)(F)F)c1 ZINC000118986771 1413291122 /nfs/dbraw/zinc/29/11/22/1413291122.db2.gz GOBFSRNOXNFLHB-KRWDZBQOSA-N 0 1 382.430 3.447 20 0 GGADMN Cc1ccc(CN2CCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)s1 ZINC000118998793 1413298392 /nfs/dbraw/zinc/29/83/92/1413298392.db2.gz XZNUOGFEUQGJOP-UHFFFAOYSA-N 0 1 388.562 3.289 20 0 GGADMN CC(C)c1cccc(NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000119004348 1413300930 /nfs/dbraw/zinc/30/09/30/1413300930.db2.gz MSMPORCENROKHK-UHFFFAOYSA-N 0 1 394.519 3.135 20 0 GGADMN CCC(CC)N(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000119007020 1413301915 /nfs/dbraw/zinc/30/19/15/1413301915.db2.gz RDWDDNPEGSANDB-UHFFFAOYSA-N 0 1 396.553 3.464 20 0 GGADMN Cc1ccsc1CN1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000119008460 1413302618 /nfs/dbraw/zinc/30/26/18/1413302618.db2.gz QKQRXJFOIROJJL-UHFFFAOYSA-N 0 1 388.562 3.289 20 0 GGADMN COc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000119012152 1413303752 /nfs/dbraw/zinc/30/37/52/1413303752.db2.gz CCYKXSSSQAZXLO-GFCCVEGCSA-N 0 1 375.379 3.123 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(CN3CCN(C)CC3)c2)n1 ZINC000119019338 1413306393 /nfs/dbraw/zinc/30/63/93/1413306393.db2.gz BGGYEVGKTNLTLE-QFIPXVFZSA-N 0 1 378.520 3.115 20 0 GGADMN Cc1cccc([C@H]2CCCN2C(=O)c2cccc(CN3CCN(C)CC3)c2)n1 ZINC000119019439 1413306461 /nfs/dbraw/zinc/30/64/61/1413306461.db2.gz BGGYEVGKTNLTLE-JOCHJYFZSA-N 0 1 378.520 3.115 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ncccc1OCC(F)(F)F)c1cccc(F)c1 ZINC000177397018 1428718203 /nfs/dbraw/zinc/71/82/03/1428718203.db2.gz JRPZKQYPTYVGPE-AWEZNQCLSA-N 0 1 385.361 3.195 20 0 GGADMN CC(C)([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000819987819 1428716894 /nfs/dbraw/zinc/71/68/94/1428716894.db2.gz NCPGPPNPFKQHFF-INIZCTEOSA-N 0 1 391.397 3.444 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000119030387 1413310728 /nfs/dbraw/zinc/31/07/28/1413310728.db2.gz WBCSJIHDXZLROP-KRWDZBQOSA-N 0 1 387.505 3.174 20 0 GGADMN CN1CCc2ccc(C(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)cc21 ZINC000119035059 1413312049 /nfs/dbraw/zinc/31/20/49/1413312049.db2.gz PSRLNCTYYICEMD-IBGZPJMESA-N 0 1 387.487 3.484 20 0 GGADMN COC(=O)c1sc2cccc(F)c2c1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000119037302 1413313295 /nfs/dbraw/zinc/31/32/95/1413313295.db2.gz WHBOOUVNQXWAAN-CYBMUJFWSA-N 0 1 388.468 3.331 20 0 GGADMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000119056779 1413319859 /nfs/dbraw/zinc/31/98/59/1413319859.db2.gz BWDYSINSABGUKL-FQEVSTJZSA-N 0 1 394.519 3.095 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119062531 1413322131 /nfs/dbraw/zinc/32/21/31/1413322131.db2.gz LIHINXKTGKADPM-KBPBESRZSA-N 0 1 381.402 3.036 20 0 GGADMN Cc1ccc(CN[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000119070334 1413324860 /nfs/dbraw/zinc/32/48/60/1413324860.db2.gz UAXPQYFEGQBFMZ-MRXNPFEDSA-N 0 1 392.496 3.006 20 0 GGADMN O=C(NC[C@@H](O)c1ccsc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000119070924 1413325936 /nfs/dbraw/zinc/32/59/36/1413325936.db2.gz LNCDIQYZKMVHTQ-GOSISDBHSA-N 0 1 393.940 3.399 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)CN3CCC[C@H](Cn4ccnn4)C3)c2)cs1 ZINC000119076138 1413327368 /nfs/dbraw/zinc/32/73/68/1413327368.db2.gz HBYDWCIZSBXKRA-INIZCTEOSA-N 0 1 396.520 3.061 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCOC(C)(C)C1)N1CCCCC1 ZINC000119095132 1413334329 /nfs/dbraw/zinc/33/43/29/1413334329.db2.gz DHUOYDKMNMFWQV-MJGOQNOKSA-N 0 1 389.540 3.479 20 0 GGADMN Cc1[nH]c(S(=O)(=O)Cc2cnn(-c3ccccc3)c2)nc1Cc1ccccc1 ZINC000119097736 1413335154 /nfs/dbraw/zinc/33/51/54/1413335154.db2.gz NFOIXGMXZAGLEG-UHFFFAOYSA-N 0 1 392.484 3.469 20 0 GGADMN Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000177408951 1428723346 /nfs/dbraw/zinc/72/33/46/1428723346.db2.gz KKOXFEBDHWSXPX-HNNXBMFYSA-N 0 1 385.493 3.012 20 0 GGADMN NC(=O)C1CCN(c2ncccc2CN[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000119108130 1413339235 /nfs/dbraw/zinc/33/92/35/1413339235.db2.gz YGAWYPRMRMDSMX-LJQANCHMSA-N 0 1 384.911 3.214 20 0 GGADMN C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc2ccccc2o1 ZINC000119118102 1413343685 /nfs/dbraw/zinc/34/36/85/1413343685.db2.gz SOZWOLRQTYGSDY-OAHLLOKOSA-N 0 1 378.476 3.380 20 0 GGADMN Cn1ncc2c1ncc(C(=O)N[C@@H](c1ccccc1)c1ccc3nc[nH]c3c1)c2O ZINC000119127375 1413347757 /nfs/dbraw/zinc/34/77/57/1413347757.db2.gz JZKSVEYZAUUWJR-IBGZPJMESA-N 0 1 398.426 3.070 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)ccc21 ZINC000119145947 1413354556 /nfs/dbraw/zinc/35/45/56/1413354556.db2.gz YGIDOJKKMPEDPK-SFHVURJKSA-N 0 1 398.532 3.470 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000119151286 1413356797 /nfs/dbraw/zinc/35/67/97/1413356797.db2.gz VNHZORSJCUCQSV-OAHLLOKOSA-N 0 1 376.338 3.190 20 0 GGADMN O[C@@H]1Cc2ccccc2[C@@H]1NCc1cc(Br)c2c(c1)OCCCO2 ZINC000119162335 1413360709 /nfs/dbraw/zinc/36/07/09/1413360709.db2.gz VOOMPBBBPKNNKH-AEFFLSMTSA-N 0 1 390.277 3.358 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cn(C)nc2-c2cccs2)CC1 ZINC000119169793 1413363772 /nfs/dbraw/zinc/36/37/72/1413363772.db2.gz DLDKNYLULKDIGT-HNNXBMFYSA-N 0 1 395.532 3.499 20 0 GGADMN Cc1c(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cnn1C(C)C ZINC000119171847 1413364337 /nfs/dbraw/zinc/36/43/37/1413364337.db2.gz ZCKJWXZHRJHBDQ-OAHLLOKOSA-N 0 1 392.385 3.429 20 0 GGADMN Cc1c(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cnn1C(C)C ZINC000119171761 1413364368 /nfs/dbraw/zinc/36/43/68/1413364368.db2.gz ZCKJWXZHRJHBDQ-HNNXBMFYSA-N 0 1 392.385 3.429 20 0 GGADMN Cc1ccc(CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1O ZINC000119172038 1413364478 /nfs/dbraw/zinc/36/44/78/1413364478.db2.gz LULNXPQGBWDWNQ-QGZVFWFLSA-N 0 1 390.365 3.286 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000119180533 1413367822 /nfs/dbraw/zinc/36/78/22/1413367822.db2.gz YSYHFLVIRMWSCD-PMACEKPBSA-N 0 1 399.560 3.152 20 0 GGADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1O ZINC000119181338 1413367916 /nfs/dbraw/zinc/36/79/16/1413367916.db2.gz IGEXFKACDKYUGQ-AWEZNQCLSA-N 0 1 380.301 3.188 20 0 GGADMN O=C(CCc1ccc(O)cc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119182709 1413368240 /nfs/dbraw/zinc/36/82/40/1413368240.db2.gz KTSLOHWNKMMGRH-KRWDZBQOSA-N 0 1 390.365 3.368 20 0 GGADMN Cn1ncc2c1ncc(C(=O)Nc1ccc3oc(C(F)(F)F)nc3c1)c2O ZINC000119181842 1413368491 /nfs/dbraw/zinc/36/84/91/1413368491.db2.gz JXUHUHYGAIOZPU-UHFFFAOYSA-N 0 1 377.282 3.086 20 0 GGADMN Cn1[nH]cc2c(=O)c(C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)cnc1-2 ZINC000119181842 1413368499 /nfs/dbraw/zinc/36/84/99/1413368499.db2.gz JXUHUHYGAIOZPU-UHFFFAOYSA-N 0 1 377.282 3.086 20 0 GGADMN C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119187937 1413370098 /nfs/dbraw/zinc/37/00/98/1413370098.db2.gz XVNJNPMYVZTYQP-AOMKIAJQSA-N 0 1 397.494 3.069 20 0 GGADMN C[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119188154 1413370241 /nfs/dbraw/zinc/37/02/41/1413370241.db2.gz XVNJNPMYVZTYQP-KSFYIVLOSA-N 0 1 397.494 3.069 20 0 GGADMN C[C@](CO)(NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000119206892 1413375568 /nfs/dbraw/zinc/37/55/68/1413375568.db2.gz HDTRFICCPVJKQJ-JOCHJYFZSA-N 0 1 391.531 3.421 20 0 GGADMN Cn1ncc2c1ncc(C(=O)Nc1nnc(-c3cccc(Cl)c3)s1)c2O ZINC000119212634 1413377382 /nfs/dbraw/zinc/37/73/82/1413377382.db2.gz IOBNMPGLQRAIFG-UHFFFAOYSA-N 0 1 386.824 3.098 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)n[nH]1 ZINC000119212562 1413377497 /nfs/dbraw/zinc/37/74/97/1413377497.db2.gz QLANBJPHBDSSEE-VIFPVBQESA-N 0 1 394.266 3.358 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000119218720 1413378783 /nfs/dbraw/zinc/37/87/83/1413378783.db2.gz XJFYULWXZZQVIN-OAHLLOKOSA-N 0 1 376.338 3.357 20 0 GGADMN O=C(CCc1cccnc1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119221366 1413380286 /nfs/dbraw/zinc/38/02/86/1413380286.db2.gz IWEMRIKXSWYVMS-MRXNPFEDSA-N 0 1 375.354 3.057 20 0 GGADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccc2[nH]cnc21 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IMVDNLAZVQGFLY-OAHLLOKOSA-N 0 1 396.443 3.201 20 0 GGADMN CC(C)CCO[C@@H](C)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119232283 1413383418 /nfs/dbraw/zinc/38/34/18/1413383418.db2.gz YCDGRMPLGDWYKK-WFASDCNBSA-N 0 1 384.402 3.480 20 0 GGADMN COc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000119231454 1413383459 /nfs/dbraw/zinc/38/34/59/1413383459.db2.gz IJXPJWUCNCARLF-HNNXBMFYSA-N 0 1 392.337 3.057 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000119233434 1413383980 /nfs/dbraw/zinc/38/39/80/1413383980.db2.gz KTKOLJYKWRFSSX-HXUWFJFHSA-N 0 1 395.503 3.005 20 0 GGADMN C[C@@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000119233942 1413384010 /nfs/dbraw/zinc/38/40/10/1413384010.db2.gz XAKXIEWRQFHYLB-IAQYHMDHSA-N 0 1 375.354 3.228 20 0 GGADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccncc1Cl ZINC000119233327 1413384069 /nfs/dbraw/zinc/38/40/69/1413384069.db2.gz JTZSGJIZIJOQKG-ZDUSSCGKSA-N 0 1 381.745 3.391 20 0 GGADMN 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GGADMN COc1ccc(CNC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000119376354 1413428833 /nfs/dbraw/zinc/42/88/33/1413428833.db2.gz VPWHHOCTFLTCLA-OFQRWUPVSA-N 0 1 382.382 3.389 20 0 GGADMN O=C(c1cc(Oc2ccccc2)ccc1O)N1CCN(CC2CCOCC2)CC1 ZINC000177415658 1428727139 /nfs/dbraw/zinc/72/71/39/1428727139.db2.gz WUZAVXUMNVUVQW-UHFFFAOYSA-N 0 1 396.487 3.369 20 0 GGADMN Cc1cc(CN[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F ZINC000119397267 1413433861 /nfs/dbraw/zinc/43/38/61/1413433861.db2.gz DSVJMWCSYFLRIP-MRXNPFEDSA-N 0 1 392.496 3.006 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000119404561 1413435920 /nfs/dbraw/zinc/43/59/20/1413435920.db2.gz ZZPWRVOQFWJHMO-UHFFFAOYSA-N 0 1 376.815 3.173 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000177418165 1428727648 /nfs/dbraw/zinc/72/76/48/1428727648.db2.gz SBHCJVGNUKKJRO-DJJJIMSYSA-N 0 1 390.867 3.427 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000119422848 1413442285 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C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000119445987 1413449450 /nfs/dbraw/zinc/44/94/50/1413449450.db2.gz NUMZOAZJDINDTI-LLVKDONJSA-N 0 1 388.411 3.268 20 0 GGADMN COc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C ZINC000119448794 1413449960 /nfs/dbraw/zinc/44/99/60/1413449960.db2.gz ZIEJPUFFIODGRA-OAHLLOKOSA-N 0 1 392.521 3.323 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000119457780 1413453642 /nfs/dbraw/zinc/45/36/42/1413453642.db2.gz DPHRZHDSGKPLNB-CHWSQXEVSA-N 0 1 379.476 3.278 20 0 GGADMN C[C@@H]1C[C@H](N(C)CC(=O)[N-]OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000119460089 1413454682 /nfs/dbraw/zinc/45/46/82/1413454682.db2.gz RWXQKGAILQMJEN-DENIHFKCSA-N 0 1 381.520 3.219 20 0 GGADMN CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119462231 1413455160 /nfs/dbraw/zinc/45/51/60/1413455160.db2.gz UFVSFXOXGHYLAT-FQEVSTJZSA-N 0 1 378.476 3.441 20 0 GGADMN CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119462231 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/nfs/dbraw/zinc/79/89/71/1413798971.db2.gz OJFNCFQSUGTQPR-QFBILLFUSA-N 0 1 393.503 3.193 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)N(C)C)c1 ZINC000120362213 1413802613 /nfs/dbraw/zinc/80/26/13/1413802613.db2.gz NNWIZRHWUZZTHG-JCGIZDLHSA-N 0 1 391.537 3.171 20 0 GGADMN C[C@@H]1CC(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000120364412 1413803009 /nfs/dbraw/zinc/80/30/09/1413803009.db2.gz CPIWNPDPHDAGIN-HFAKWTLXSA-N 0 1 397.401 3.168 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1csc(-c2cccs2)n1 ZINC000120388994 1413807797 /nfs/dbraw/zinc/80/77/97/1413807797.db2.gz OKQIUJVCBYHDGA-MRXNPFEDSA-N 0 1 399.541 3.021 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN(C)CC1 ZINC000120403980 1413810966 /nfs/dbraw/zinc/81/09/66/1413810966.db2.gz MFKCRIBLXCCOGK-QYZOEREBSA-N 0 1 397.485 3.197 20 0 GGADMN O=C(NCC[C@H]1CCCCO1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000120424580 1413814697 /nfs/dbraw/zinc/81/46/97/1413814697.db2.gz VROFBGIEQDQTOR-HUUCEWRRSA-N 0 1 397.401 3.171 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccnc1Br)c1ccc(F)cc1 ZINC000120432319 1413816149 /nfs/dbraw/zinc/81/61/49/1413816149.db2.gz AHJUHADRYRRJTO-AWEZNQCLSA-N 0 1 381.249 3.408 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000120431351 1413816162 /nfs/dbraw/zinc/81/61/62/1413816162.db2.gz WQJGOCWHKJDZRF-GUYCJALGSA-N 0 1 390.281 3.480 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000120433448 1413816523 /nfs/dbraw/zinc/81/65/23/1413816523.db2.gz CHMBWKFJOLECHW-UHFFFAOYSA-N 0 1 396.398 3.235 20 0 GGADMN COc1ccc(-c2cc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)[nH]n2)cc1 ZINC000120434035 1413816629 /nfs/dbraw/zinc/81/66/29/1413816629.db2.gz HMMWFZHGGOVUDQ-UHFFFAOYSA-N 0 1 396.428 3.206 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)C(=O)N3CCN(C4CCCC4)CC3)cc2)cs1 ZINC000120435915 1413817055 /nfs/dbraw/zinc/81/70/55/1413817055.db2.gz BOCNCSTXVKLEQX-UHFFFAOYSA-N 0 1 398.532 3.144 20 0 GGADMN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000120460696 1413823162 /nfs/dbraw/zinc/82/31/62/1413823162.db2.gz WLXOBBZOAWLRJE-TZIWHRDSSA-N 0 1 389.584 3.274 20 0 GGADMN CN(C)[C@H](CNC(=O)NC1CCN(c2cccs2)CC1)c1ccc(F)cc1 ZINC000120465640 1413824124 /nfs/dbraw/zinc/82/41/24/1413824124.db2.gz KYFACUNXHREVFZ-GOSISDBHSA-N 0 1 390.528 3.458 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(OC[C@@H]2CCCO2)CC1)N1CCCCC1 ZINC000177476050 1428757925 /nfs/dbraw/zinc/75/79/25/1428757925.db2.gz FNAKQPCFGRNLBL-FCHUYYIVSA-N 0 1 386.536 3.400 20 0 GGADMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000120469109 1413824940 /nfs/dbraw/zinc/82/49/40/1413824940.db2.gz NQHXPDYUWWZCIH-CTNGQTDRSA-N 0 1 389.584 3.274 20 0 GGADMN O=C([C@H](c1ccccc1)N1CCC(OC[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000177476065 1428758050 /nfs/dbraw/zinc/75/80/50/1428758050.db2.gz FNAKQPCFGRNLBL-YADHBBJMSA-N 0 1 386.536 3.400 20 0 GGADMN CC(C)Oc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000120484363 1413827952 /nfs/dbraw/zinc/82/79/52/1413827952.db2.gz YFSFMWAOYOFEPC-HXUWFJFHSA-N 0 1 383.492 3.015 20 0 GGADMN COC(=O)c1ccc(CNC(=O)[C@H](C)N[C@H](C)c2cc(C)ccc2OC)cc1 ZINC000120484187 1413827960 /nfs/dbraw/zinc/82/79/60/1413827960.db2.gz YVBHMCXFKYKUNQ-CVEARBPZSA-N 0 1 384.476 3.146 20 0 GGADMN COC(=O)c1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000120484634 1413827968 /nfs/dbraw/zinc/82/79/68/1413827968.db2.gz YVBHMCXFKYKUNQ-JKSUJKDBSA-N 0 1 384.476 3.146 20 0 GGADMN C[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1 ZINC000120500361 1413831448 /nfs/dbraw/zinc/83/14/48/1413831448.db2.gz WORDBIANMUUTTP-CQSZACIVSA-N 0 1 399.532 3.002 20 0 GGADMN COc1ccc(C)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000120516631 1413834514 /nfs/dbraw/zinc/83/45/14/1413834514.db2.gz TZCICIFFTRZPJV-UYAOXDASSA-N 0 1 383.492 3.008 20 0 GGADMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCCOCCO ZINC000120525283 1413835963 /nfs/dbraw/zinc/83/59/63/1413835963.db2.gz IGHZZWIAWHLOIL-UHFFFAOYSA-N 0 1 385.439 3.211 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N[C@H](c2nccs2)c2ccccc2)C1(C)C ZINC000120547047 1413840630 /nfs/dbraw/zinc/84/06/30/1413840630.db2.gz HPQVTPVSYIVJST-LMMKCTJWSA-N 0 1 387.549 3.484 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000120546525 1413840720 /nfs/dbraw/zinc/84/07/20/1413840720.db2.gz RJYWUHWHMBRFEC-SFHVURJKSA-N 0 1 391.475 3.397 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCC[C@H]3Cc3ccccc3)n[nH]2)cc1 ZINC000120546525 1413840722 /nfs/dbraw/zinc/84/07/22/1413840722.db2.gz RJYWUHWHMBRFEC-SFHVURJKSA-N 0 1 391.475 3.397 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)Cc3ccc(F)c(F)c3)n2)cc1 ZINC000120555314 1413842447 /nfs/dbraw/zinc/84/24/47/1413842447.db2.gz CGVDAWMVRCROCV-UHFFFAOYSA-N 0 1 387.390 3.100 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)Cc3ccc(F)c(F)c3)n[nH]2)cc1 ZINC000120555314 1413842448 /nfs/dbraw/zinc/84/24/48/1413842448.db2.gz CGVDAWMVRCROCV-UHFFFAOYSA-N 0 1 387.390 3.100 20 0 GGADMN CCS[C@H]1CCCCN(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000120560795 1413843417 /nfs/dbraw/zinc/84/34/17/1413843417.db2.gz SFKLGNUYATUKRX-INIZCTEOSA-N 0 1 389.525 3.298 20 0 GGADMN CCS[C@H]1CCCCN(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C1 ZINC000120560795 1413843423 /nfs/dbraw/zinc/84/34/23/1413843423.db2.gz SFKLGNUYATUKRX-INIZCTEOSA-N 0 1 389.525 3.298 20 0 GGADMN CCN(CCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1cccc(C)c1 ZINC000120562757 1413843997 /nfs/dbraw/zinc/84/39/97/1413843997.db2.gz GNARPUYYKHENSM-UHFFFAOYSA-N 0 1 396.516 3.010 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)CCOc3cccc(C)c3)n2)cc1 ZINC000120565059 1413844357 /nfs/dbraw/zinc/84/43/57/1413844357.db2.gz ABSKAUIAGQPJML-UHFFFAOYSA-N 0 1 395.463 3.009 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)CCOc3cccc(C)c3)n[nH]2)cc1 ZINC000120565059 1413844359 /nfs/dbraw/zinc/84/43/59/1413844359.db2.gz ABSKAUIAGQPJML-UHFFFAOYSA-N 0 1 395.463 3.009 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)[C@H]3CCc4ccccc4C3)n2)cc1 ZINC000120583755 1413848619 /nfs/dbraw/zinc/84/86/19/1413848619.db2.gz IMBOUAYARASEGV-SFHVURJKSA-N 0 1 391.475 3.179 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)[C@H]3CCc4ccccc4C3)n[nH]2)cc1 ZINC000120583755 1413848621 /nfs/dbraw/zinc/84/86/21/1413848621.db2.gz IMBOUAYARASEGV-SFHVURJKSA-N 0 1 391.475 3.179 20 0 GGADMN C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120592617 1413850535 /nfs/dbraw/zinc/85/05/35/1413850535.db2.gz IMVYLYDFNIOAJA-UWJYYQICSA-N 0 1 398.551 3.454 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000120602056 1413852689 /nfs/dbraw/zinc/85/26/89/1413852689.db2.gz FVDHZPTXAZXCGJ-UHFFFAOYSA-N 0 1 386.429 3.402 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC(C)(C)c3cccc(F)c3)n2)cc1 ZINC000120603293 1413853094 /nfs/dbraw/zinc/85/30/94/1413853094.db2.gz YNQRKFLPHDXBLD-UHFFFAOYSA-N 0 1 383.427 3.354 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC(C)(C)c3cccc(F)c3)n[nH]2)cc1 ZINC000120603293 1413853096 /nfs/dbraw/zinc/85/30/96/1413853096.db2.gz YNQRKFLPHDXBLD-UHFFFAOYSA-N 0 1 383.427 3.354 20 0 GGADMN COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)cc1OC ZINC000120611353 1413854432 /nfs/dbraw/zinc/85/44/32/1413854432.db2.gz CRKJDSRPSCIRBZ-UHFFFAOYSA-N 0 1 394.475 3.398 20 0 GGADMN Cc1cccc(C)c1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000120612865 1413855001 /nfs/dbraw/zinc/85/50/01/1413855001.db2.gz GJSGHZXWTZWDBM-UHFFFAOYSA-N 0 1 388.533 3.125 20 0 GGADMN CCCCNC(=O)C1CCN(CC(=O)N2CCc3sccc3[C@@H]2CC)CC1 ZINC000120620532 1413857287 /nfs/dbraw/zinc/85/72/87/1413857287.db2.gz LLAYBUNMYJTLFI-SFHVURJKSA-N 0 1 391.581 3.212 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)nc1 ZINC000120637747 1413862092 /nfs/dbraw/zinc/86/20/92/1413862092.db2.gz MXPMJYAKFRMQQL-IEBWSBKVSA-N 0 1 386.540 3.078 20 0 GGADMN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000120648161 1413865068 /nfs/dbraw/zinc/86/50/68/1413865068.db2.gz FDGOGHVYCJCGQW-JOCHJYFZSA-N 0 1 391.515 3.026 20 0 GGADMN CCNC(=O)c1cc(Cl)ccc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000120647868 1413865221 /nfs/dbraw/zinc/86/52/21/1413865221.db2.gz OMYGNCGYZVDMDN-UHFFFAOYSA-N 0 1 393.915 3.063 20 0 GGADMN Cc1ccc(NC(=O)C2CCN([C@H](C)C(=O)NCc3ccccc3C)CC2)nc1 ZINC000120648994 1413865839 /nfs/dbraw/zinc/86/58/39/1413865839.db2.gz HTQKRFWFXSNCNW-GOSISDBHSA-N 0 1 394.519 3.054 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(CC(=O)N(C)Cc3ccccc3C)CC2)nc1 ZINC000120652409 1413866279 /nfs/dbraw/zinc/86/62/79/1413866279.db2.gz NJSNKVJBBCVGKS-UHFFFAOYSA-N 0 1 394.519 3.008 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(CC(=O)N[C@@H](C)CCCC(C)C)CC2)nc1 ZINC000120656587 1413867293 /nfs/dbraw/zinc/86/72/93/1413867293.db2.gz PABCPWHXXJVQFM-SFHVURJKSA-N 0 1 388.556 3.372 20 0 GGADMN O=C(NCCCc1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000120660307 1413868481 /nfs/dbraw/zinc/86/84/81/1413868481.db2.gz LBVJRXXPEVJUMD-UHFFFAOYSA-N 0 1 379.932 3.026 20 0 GGADMN C[C@@H](O)[C@@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000120662128 1413868899 /nfs/dbraw/zinc/86/88/99/1413868899.db2.gz ORSDAASEWCRVSO-SJLPKXTDSA-N 0 1 385.533 3.405 20 0 GGADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000120665504 1413869803 /nfs/dbraw/zinc/86/98/03/1413869803.db2.gz SKBHMUDIRKYQBT-INIZCTEOSA-N 0 1 395.532 3.486 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000120672980 1413871374 /nfs/dbraw/zinc/87/13/74/1413871374.db2.gz YVBIWTRGGOMHDJ-PKOBYXMFSA-N 0 1 386.540 3.220 20 0 GGADMN COC(=O)c1c2c(sc1NC(=O)CN(C)CCC1CCOCC1)CCCC2 ZINC000120671623 1413871384 /nfs/dbraw/zinc/87/13/84/1413871384.db2.gz MNIAUNXJQZAUBX-UHFFFAOYSA-N 0 1 394.537 3.101 20 0 GGADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(C2CCOCC2)CC1 ZINC000177483539 1428762137 /nfs/dbraw/zinc/76/21/37/1428762137.db2.gz DRVMSNILGFACKU-HXUWFJFHSA-N 0 1 375.488 3.173 20 0 GGADMN COc1cccc(CN(C)C(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000120679998 1413873451 /nfs/dbraw/zinc/87/34/51/1413873451.db2.gz JKAFJLKINOMGHH-UHFFFAOYSA-N 0 1 392.503 3.410 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000120685055 1413874396 /nfs/dbraw/zinc/87/43/96/1413874396.db2.gz NGYYKXYZYFAYRX-UHFFFAOYSA-N 0 1 376.388 3.087 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1C ZINC000120731792 1413887227 /nfs/dbraw/zinc/88/72/27/1413887227.db2.gz ABPJDNKFSZEJDZ-UHFFFAOYSA-N 0 1 383.467 3.162 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000120731637 1413887300 /nfs/dbraw/zinc/88/73/00/1413887300.db2.gz WOVUFEGLHXRVBM-UHFFFAOYSA-N 0 1 383.467 3.162 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000120732969 1413887721 /nfs/dbraw/zinc/88/77/21/1413887721.db2.gz RXWMYOHRRZIYBA-UHFFFAOYSA-N 0 1 383.467 3.107 20 0 GGADMN Nc1c(Cl)cc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1Cl ZINC000120733913 1413888023 /nfs/dbraw/zinc/88/80/23/1413888023.db2.gz QCQQZUDKHDDTFI-UHFFFAOYSA-N 0 1 394.306 3.121 20 0 GGADMN CCc1cccc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000120734989 1413888049 /nfs/dbraw/zinc/88/80/49/1413888049.db2.gz BHCSSVUXSVWZHN-UHFFFAOYSA-N 0 1 383.467 3.107 20 0 GGADMN CCc1ccccc1NC(=O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000120737218 1413889190 /nfs/dbraw/zinc/88/91/90/1413889190.db2.gz YWBDSXVCVPWCHS-UHFFFAOYSA-N 0 1 383.467 3.107 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000120746931 1413891119 /nfs/dbraw/zinc/89/11/19/1413891119.db2.gz PHDBLLUSLIUKQZ-AWEZNQCLSA-N 0 1 382.526 3.309 20 0 GGADMN O=C(CCc1nc(-c2ccccn2)no1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000120756544 1413894153 /nfs/dbraw/zinc/89/41/53/1413894153.db2.gz LIMVMEUENXRNQW-KRWDZBQOSA-N 0 1 395.463 3.001 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000120774746 1413899038 /nfs/dbraw/zinc/89/90/38/1413899038.db2.gz VBRCZRLBXXGWSA-VQTJNVASSA-N 0 1 393.535 3.443 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C ZINC000120774149 1413899118 /nfs/dbraw/zinc/89/91/18/1413899118.db2.gz YJCYLSABHGSQFM-OAQYLSRUSA-N 0 1 384.499 3.165 20 0 GGADMN O=C(Cc1ccn[nH]1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000120775282 1413899145 /nfs/dbraw/zinc/89/91/45/1413899145.db2.gz AGSXEEKLHGTFEG-UHFFFAOYSA-N 0 1 396.441 3.164 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000120775510 1413899152 /nfs/dbraw/zinc/89/91/52/1413899152.db2.gz NGINOQAICASSHT-DNVCBOLYSA-N 0 1 379.932 3.249 20 0 GGADMN COc1cc(CCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc(OC)c1 ZINC000120787609 1413902922 /nfs/dbraw/zinc/90/29/22/1413902922.db2.gz CYYKBJDKCZZTHH-INIZCTEOSA-N 0 1 384.480 3.038 20 0 GGADMN CCc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1 ZINC000120790672 1413904246 /nfs/dbraw/zinc/90/42/46/1413904246.db2.gz GEDPMVCDDCWQIC-INIZCTEOSA-N 0 1 390.491 3.450 20 0 GGADMN CC(C)[C@@H](NCCOc1ccc(C(F)(F)F)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000120797830 1413906137 /nfs/dbraw/zinc/90/61/37/1413906137.db2.gz URCMXPMZJFASNF-CYBMUJFWSA-N 0 1 396.373 3.239 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000177489502 1428764874 /nfs/dbraw/zinc/76/48/74/1428764874.db2.gz KVWODFJXVLQTFY-FQEVSTJZSA-N 0 1 396.491 3.225 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)N1CCN(Cc2ccsc2)CC1)C(C)C ZINC000120816473 1413912919 /nfs/dbraw/zinc/91/29/19/1413912919.db2.gz OELDRLBJASVVOF-FQEVSTJZSA-N 0 1 386.565 3.083 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)N1CCN(Cc2ccsc2)CC1)C(C)C ZINC000120816300 1413912970 /nfs/dbraw/zinc/91/29/70/1413912970.db2.gz OELDRLBJASVVOF-HXUWFJFHSA-N 0 1 386.565 3.083 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000120817074 1413912983 /nfs/dbraw/zinc/91/29/83/1413912983.db2.gz QYASNTXNHGCRRJ-UHFFFAOYSA-N 0 1 397.279 3.129 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000120839637 1413921756 /nfs/dbraw/zinc/92/17/56/1413921756.db2.gz CYOWJOJESZTAMH-UHFFFAOYSA-N 0 1 383.473 3.231 20 0 GGADMN C[C@@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000120841109 1413922632 /nfs/dbraw/zinc/92/26/32/1413922632.db2.gz FFTCSNPUAQDGKV-RBUKOAKNSA-N 0 1 393.531 3.340 20 0 GGADMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000120841335 1413922639 /nfs/dbraw/zinc/92/26/39/1413922639.db2.gz FFTCSNPUAQDGKV-OALUTQOASA-N 0 1 393.531 3.340 20 0 GGADMN CC(C)Cn1ncc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C(F)F ZINC000120840433 1413922691 /nfs/dbraw/zinc/92/26/91/1413922691.db2.gz UQOPFDMSOZETLW-ZDUSSCGKSA-N 0 1 392.454 3.492 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000120842371 1413923286 /nfs/dbraw/zinc/92/32/86/1413923286.db2.gz PTZIONDICSCBAN-RXAIFQJESA-N 0 1 386.521 3.166 20 0 GGADMN C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)cc2NC1=O ZINC000120850621 1413925962 /nfs/dbraw/zinc/92/59/62/1413925962.db2.gz WGJOHABOPBVYMN-HNAYVOBHSA-N 0 1 379.460 3.399 20 0 GGADMN NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120865048 1413930191 /nfs/dbraw/zinc/93/01/91/1413930191.db2.gz GMJUISDBSGYZEQ-WMZOPIPTSA-N 0 1 380.423 3.282 20 0 GGADMN NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120865048 1413930197 /nfs/dbraw/zinc/93/01/97/1413930197.db2.gz GMJUISDBSGYZEQ-WMZOPIPTSA-N 0 1 380.423 3.282 20 0 GGADMN C[C@H](CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C(=O)c1cccc(F)c1 ZINC000120867963 1413931677 /nfs/dbraw/zinc/93/16/77/1413931677.db2.gz XUNWYCJNFGYLPF-CZUORRHYSA-N 0 1 384.455 3.436 20 0 GGADMN CCO[C@H]1C[C@H](N(C)CC(=O)N(Cc2ccco2)CC(F)(F)F)C12CCC2 ZINC000120873095 1413933479 /nfs/dbraw/zinc/93/34/79/1413933479.db2.gz BCMYTASILDYUET-HOTGVXAUSA-N 0 1 388.430 3.450 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000120877708 1413934977 /nfs/dbraw/zinc/93/49/77/1413934977.db2.gz RKLOWNBHZSYLRH-AZUAARDMSA-N 0 1 396.535 3.437 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000120877543 1413934984 /nfs/dbraw/zinc/93/49/84/1413934984.db2.gz RKLOWNBHZSYLRH-UYAOXDASSA-N 0 1 396.535 3.437 20 0 GGADMN O=C(Nc1cc(Cl)ccc1F)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000120881083 1413935598 /nfs/dbraw/zinc/93/55/98/1413935598.db2.gz GNYGGJIJOVATDE-DNVCBOLYSA-N 0 1 391.874 3.484 20 0 GGADMN O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120883941 1413936690 /nfs/dbraw/zinc/93/66/90/1413936690.db2.gz AIHSKKNSSQTLIM-HNNXBMFYSA-N 0 1 394.504 3.149 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000120885684 1413937388 /nfs/dbraw/zinc/93/73/88/1413937388.db2.gz WNYTTYHHRRBSRI-UHFFFAOYSA-N 0 1 387.915 3.195 20 0 GGADMN O=C(CCCOCCc1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120892142 1413939822 /nfs/dbraw/zinc/93/98/22/1413939822.db2.gz RUUMGXZSGSMMEN-LJQANCHMSA-N 0 1 382.508 3.428 20 0 GGADMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)C(C)C ZINC000120911802 1413945279 /nfs/dbraw/zinc/94/52/79/1413945279.db2.gz CHDPZURRCIVEFD-QAPCUYQASA-N 0 1 389.521 3.107 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000120912205 1413945959 /nfs/dbraw/zinc/94/59/59/1413945959.db2.gz WPIXOSMHVDAWPY-UHFFFAOYSA-N 0 1 393.900 3.185 20 0 GGADMN CCC[C@H]1CCCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 ZINC000120914478 1413946653 /nfs/dbraw/zinc/94/66/53/1413946653.db2.gz XGFGLIDEUCNOKX-INIZCTEOSA-N 0 1 392.569 3.319 20 0 GGADMN O=C(COc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120923510 1413949511 /nfs/dbraw/zinc/94/95/11/1413949511.db2.gz SMZDMUYCBSISDZ-ZDUSSCGKSA-N 0 1 394.397 3.486 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000820087464 1428768456 /nfs/dbraw/zinc/76/84/56/1428768456.db2.gz SFUUICNDEVYWOF-UHFFFAOYSA-N 0 1 396.470 3.493 20 0 GGADMN CC(C)C[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000820087464 1428768459 /nfs/dbraw/zinc/76/84/59/1428768459.db2.gz SFUUICNDEVYWOF-UHFFFAOYSA-N 0 1 396.470 3.493 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000820087464 1428768464 /nfs/dbraw/zinc/76/84/64/1428768464.db2.gz SFUUICNDEVYWOF-UHFFFAOYSA-N 0 1 396.470 3.493 20 0 GGADMN CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)NCCCN2CCCC2=O)cc1 ZINC000120928434 1413950882 /nfs/dbraw/zinc/95/08/82/1413950882.db2.gz IWJLXLDVOXZMNN-HXUWFJFHSA-N 0 1 385.552 3.250 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1nc(C(C)(C)C)cs1 ZINC000177494814 1428768550 /nfs/dbraw/zinc/76/85/50/1428768550.db2.gz WMTZKBIJVJRIFE-CQSZACIVSA-N 0 1 380.558 3.008 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000120930060 1413951576 /nfs/dbraw/zinc/95/15/76/1413951576.db2.gz RBVFCJLNLHJFBC-MRXNPFEDSA-N 0 1 388.462 3.092 20 0 GGADMN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2O1 ZINC000120933207 1413952233 /nfs/dbraw/zinc/95/22/33/1413952233.db2.gz QNJKAPDCQCCLKB-INIZCTEOSA-N 0 1 396.491 3.181 20 0 GGADMN C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1nc(C(C)(C)C)cs1 ZINC000177494800 1428768644 /nfs/dbraw/zinc/76/86/44/1428768644.db2.gz WMTZKBIJVJRIFE-AWEZNQCLSA-N 0 1 380.558 3.008 20 0 GGADMN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)NCCc2nc[nH]n2)n1 ZINC000120939589 1413953868 /nfs/dbraw/zinc/95/38/68/1413953868.db2.gz GEZSPFZJVXHUBZ-UHFFFAOYSA-N 0 1 389.847 3.071 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@@H](c2ncccc2C)C(C)C)cc1OC ZINC000120939714 1413953883 /nfs/dbraw/zinc/95/38/83/1413953883.db2.gz QYKLUDQGGNUBSS-OAQYLSRUSA-N 0 1 385.508 3.353 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3nc(C(C)C)n[nH]3)c2)c1 ZINC000120947508 1413956799 /nfs/dbraw/zinc/95/67/99/1413956799.db2.gz QKXDQPFDLNOBMJ-UHFFFAOYSA-N 0 1 399.476 3.290 20 0 GGADMN CCC(=O)N(C)c1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120951496 1413957855 /nfs/dbraw/zinc/95/78/55/1413957855.db2.gz PLYUKHMZSYWJGR-OAHLLOKOSA-N 0 1 381.480 3.075 20 0 GGADMN CCC(=O)N(C)c1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120951321 1413957884 /nfs/dbraw/zinc/95/78/84/1413957884.db2.gz PLYUKHMZSYWJGR-HNNXBMFYSA-N 0 1 381.480 3.075 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)N[C@H](c3ccc(F)cc3F)C(C)C)CCO2)n[nH]1 ZINC000120961933 1413960929 /nfs/dbraw/zinc/96/09/29/1413960929.db2.gz ODLOHIBIEITLQJ-WBVHZDCISA-N 0 1 393.438 3.126 20 0 GGADMN CC(C)c1n[nH]c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n1 ZINC000120963038 1413961146 /nfs/dbraw/zinc/96/11/46/1413961146.db2.gz ZLQMDNUCSJJNAB-UHFFFAOYSA-N 0 1 399.476 3.006 20 0 GGADMN CC(C)c1nc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n[nH]1 ZINC000120963038 1413961149 /nfs/dbraw/zinc/96/11/49/1413961149.db2.gz ZLQMDNUCSJJNAB-UHFFFAOYSA-N 0 1 399.476 3.006 20 0 GGADMN CNC(=O)c1ccc(CNCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000120967397 1413962641 /nfs/dbraw/zinc/96/26/41/1413962641.db2.gz WBKNKGWELZJHLJ-UHFFFAOYSA-N 0 1 391.471 3.189 20 0 GGADMN CC(C)c1n[nH]c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 ZINC000120966350 1413962694 /nfs/dbraw/zinc/96/26/94/1413962694.db2.gz FLNGPJFYQZPJRM-UHFFFAOYSA-N 0 1 399.476 3.006 20 0 GGADMN CC(C)c1nc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n[nH]1 ZINC000120966350 1413962700 /nfs/dbraw/zinc/96/27/00/1413962700.db2.gz FLNGPJFYQZPJRM-UHFFFAOYSA-N 0 1 399.476 3.006 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc2NC1=O ZINC000120973644 1413964418 /nfs/dbraw/zinc/96/44/18/1413964418.db2.gz ABCQKEOTRIBBRH-FZMZJTMJSA-N 0 1 397.504 3.135 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc2NC1=O ZINC000120973941 1413965286 /nfs/dbraw/zinc/96/52/86/1413965286.db2.gz 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399.539 3.352 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000121280909 1414069912 /nfs/dbraw/zinc/06/99/12/1414069912.db2.gz ASOUNLNICYZSEP-NHCUHLMSSA-N 0 1 395.522 3.333 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc2)CC1 ZINC000177505204 1428773693 /nfs/dbraw/zinc/77/36/93/1428773693.db2.gz QNTMRSWXQDUSLP-UHFFFAOYSA-N 0 1 393.531 3.274 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000121296630 1414075225 /nfs/dbraw/zinc/07/52/25/1414075225.db2.gz YGPPNEYRBVNMFZ-MRXNPFEDSA-N 0 1 379.382 3.387 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000121296798 1414075474 /nfs/dbraw/zinc/07/54/74/1414075474.db2.gz YGPPNEYRBVNMFZ-INIZCTEOSA-N 0 1 379.382 3.387 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)n[nH]1 ZINC000121300861 1414077039 /nfs/dbraw/zinc/07/70/39/1414077039.db2.gz SEIUKYPADYODSF-FZKQIMNGSA-N 0 1 386.887 3.088 20 0 GGADMN CN(C)C(=O)Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000121301494 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)CCc1ccncc1 ZINC000121566627 1414179853 /nfs/dbraw/zinc/17/98/53/1414179853.db2.gz WGNRZAQCJFPAGZ-GOSISDBHSA-N 0 1 377.492 3.386 20 0 GGADMN CC(C)[C@@H](NC(=O)CN[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000121566299 1414179984 /nfs/dbraw/zinc/17/99/84/1414179984.db2.gz RUUDBZAQGIRODD-LADGPHEKSA-N 0 1 395.547 3.163 20 0 GGADMN CCC(CC)c1nnc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)s1 ZINC000121567763 1414180624 /nfs/dbraw/zinc/18/06/24/1414180624.db2.gz ZGCDNMOLTSUHQY-UHFFFAOYSA-N 0 1 389.506 3.453 20 0 GGADMN COc1ccc(NC(=O)[C@H](NCCCNC(=O)C2CCC2)c2ccccc2)cc1 ZINC000177544091 1428787508 /nfs/dbraw/zinc/78/75/08/1428787508.db2.gz ADOYIXIBEXVTOD-OAQYLSRUSA-N 0 1 395.503 3.271 20 0 GGADMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC)ccc2OC)cc1 ZINC000121596164 1414193381 /nfs/dbraw/zinc/19/33/81/1414193381.db2.gz NGQDEJFAXIOGAC-ZDUSSCGKSA-N 0 1 376.478 3.369 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000121598821 1414194189 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CN1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826029374 1428788743 /nfs/dbraw/zinc/78/87/43/1428788743.db2.gz RLXGWRKVZOGHAG-JKSUJKDBSA-N 0 1 392.891 3.256 20 0 GGADMN O=C(Nc1cc(F)ccc1OC(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000121627706 1414205396 /nfs/dbraw/zinc/20/53/96/1414205396.db2.gz LKWAPFGDHCGRNQ-ZDUSSCGKSA-N 0 1 387.402 3.003 20 0 GGADMN COc1cc(Br)c(CNCCNC(=O)OC(C)(C)C)cc1OC ZINC000121639337 1414209134 /nfs/dbraw/zinc/20/91/34/1414209134.db2.gz ZEXPFLVYKFHTRP-UHFFFAOYSA-N 0 1 389.290 3.081 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000121655011 1414213317 /nfs/dbraw/zinc/21/33/17/1414213317.db2.gz IMJAKCNORVBVGV-TXEJJXNPSA-N 0 1 375.391 3.048 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)ccc1S(C)(=O)=O ZINC000121655212 1414213379 /nfs/dbraw/zinc/21/33/79/1414213379.db2.gz SKYUIGDMDPQVDP-KGLIPLIRSA-N 0 1 390.505 3.469 20 0 GGADMN Cc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)cc1F ZINC000121656150 1414213506 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GGADMN O=C(Nc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1)[C@H]1CCCO1 ZINC000121679526 1414220954 /nfs/dbraw/zinc/22/09/54/1414220954.db2.gz IUJCHOBTTWZLPH-HXUWFJFHSA-N 0 1 376.460 3.484 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000121684048 1414222724 /nfs/dbraw/zinc/22/27/24/1414222724.db2.gz PUCFGNRCXJJJJI-NHCUHLMSSA-N 0 1 385.552 3.196 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521243 1428790607 /nfs/dbraw/zinc/79/06/07/1428790607.db2.gz GAPNNXFMSNXALQ-PKOBYXMFSA-N 0 1 394.548 3.415 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521243 1428790614 /nfs/dbraw/zinc/79/06/14/1428790614.db2.gz GAPNNXFMSNXALQ-PKOBYXMFSA-N 0 1 394.548 3.415 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521243 1428790619 /nfs/dbraw/zinc/79/06/19/1428790619.db2.gz GAPNNXFMSNXALQ-PKOBYXMFSA-N 0 1 394.548 3.415 20 0 GGADMN O=C(NCCc1csc(-c2ccccc2)n1)c1nnc2ccccc2c1O ZINC000177552005 1428790636 /nfs/dbraw/zinc/79/06/36/1428790636.db2.gz UGQPYGBVIPKFMO-UHFFFAOYSA-N 0 1 376.441 3.019 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCCCNC(=O)OC(C)(C)C)n2)o1 ZINC000121691498 1414225617 /nfs/dbraw/zinc/22/56/17/1414225617.db2.gz MFEHSCVIPKYQLQ-UHFFFAOYSA-N 0 1 377.445 3.397 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CCN1CCOC ZINC000121695104 1414226321 /nfs/dbraw/zinc/22/63/21/1414226321.db2.gz XZGXVZSGPYPZDV-RBBKRZOGSA-N 0 1 393.547 3.072 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CCN1CCOC ZINC000121699702 1414228232 /nfs/dbraw/zinc/22/82/32/1414228232.db2.gz DQIHFPMCUGIZMS-DLBZAZTESA-N 0 1 381.948 3.408 20 0 GGADMN O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cccc3[nH]ccc32)CC1 ZINC000121703458 1414229643 /nfs/dbraw/zinc/22/96/43/1414229643.db2.gz VQSXJRATABXQSD-UHFFFAOYSA-N 0 1 387.480 3.204 20 0 GGADMN CCC[C@@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CCN1CCOC ZINC000121706383 1414230876 /nfs/dbraw/zinc/23/08/76/1414230876.db2.gz PJXASTSUHBLEEW-QGZVFWFLSA-N 0 1 378.904 3.323 20 0 GGADMN CCC[C@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CCN1CCOC ZINC000121706488 1414230912 /nfs/dbraw/zinc/23/09/12/1414230912.db2.gz PJXASTSUHBLEEW-KRWDZBQOSA-N 0 1 378.904 3.323 20 0 GGADMN CCC[C@H]1CN([C@@H]2CCCN(c3cc(C)ccc3F)C2=O)CCN1CCOC ZINC000121709005 1414231384 /nfs/dbraw/zinc/23/13/84/1414231384.db2.gz YYRHLFPWBQGUEX-AZUAARDMSA-N 0 1 391.531 3.062 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@@H](OCC(C)C)C2)N2CCCC2)cc1 ZINC000177553726 1428791143 /nfs/dbraw/zinc/79/11/43/1428791143.db2.gz VKTUOQXKCMCUSX-RTWAWAEBSA-N 0 1 389.540 3.289 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2cc(C)c(Cl)cc2OC)CCN1CCOC ZINC000121719313 1414235325 /nfs/dbraw/zinc/23/53/25/1414235325.db2.gz GPWAZHONVOTDAJ-MRXNPFEDSA-N 0 1 397.947 3.028 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CC[C@H](OCC(C)C)C2)N2CCCC2)cc1 ZINC000177553765 1428791400 /nfs/dbraw/zinc/79/14/00/1428791400.db2.gz VKTUOQXKCMCUSX-LEWJYISDSA-N 0 1 389.540 3.289 20 0 GGADMN CCn1cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn1 ZINC000121744649 1414243346 /nfs/dbraw/zinc/24/33/46/1414243346.db2.gz SFKKUZSPLAKJSI-AWEZNQCLSA-N 0 1 378.402 3.344 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(C(=O)NC(C)C)cc2)N2CCCC2)o1 ZINC000121746939 1414244172 /nfs/dbraw/zinc/24/41/72/1414244172.db2.gz VVIDULKPAKTTOA-LJQANCHMSA-N 0 1 383.492 3.293 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000121744689 1414244179 /nfs/dbraw/zinc/24/41/79/1414244179.db2.gz GEWIXBOSONPZFY-UHFFFAOYSA-N 0 1 387.509 3.206 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(C(=O)NC(C)C)cc2)N2CCCC2)o1 ZINC000121747109 1414244491 /nfs/dbraw/zinc/24/44/91/1414244491.db2.gz VVIDULKPAKTTOA-IBGZPJMESA-N 0 1 383.492 3.293 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121752500 1414246751 /nfs/dbraw/zinc/24/67/51/1414246751.db2.gz LBTWQFJODUSBIX-MOPGFXCFSA-N 0 1 386.492 3.273 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N(Cc3ccco3)CC(F)(F)F)cc2[nH]c1=S ZINC000121757598 1414248013 /nfs/dbraw/zinc/24/80/13/1414248013.db2.gz WLMHTNJUXXNORG-UHFFFAOYSA-N 0 1 397.378 3.020 20 0 GGADMN CC[C@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(Cl)cc1 ZINC000121775050 1414253604 /nfs/dbraw/zinc/25/36/04/1414253604.db2.gz WWKIWLLMMVWHGY-INIZCTEOSA-N 0 1 388.834 3.134 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(Cl)cc1 ZINC000121775197 1414253651 /nfs/dbraw/zinc/25/36/51/1414253651.db2.gz WWKIWLLMMVWHGY-MRXNPFEDSA-N 0 1 388.834 3.134 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CCN1CCOC ZINC000121789060 1414257601 /nfs/dbraw/zinc/25/76/01/1414257601.db2.gz NAPOUBRVGXMKBN-CNNODRBYSA-N 0 1 389.584 3.247 20 0 GGADMN Cc1cc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)ccc1-n1cncn1 ZINC000121794384 1414259366 /nfs/dbraw/zinc/25/93/66/1414259366.db2.gz MJIGNAYKYSHRRT-UHFFFAOYSA-N 0 1 388.475 3.056 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CCN1CCOC ZINC000121794380 1414259433 /nfs/dbraw/zinc/25/94/33/1414259433.db2.gz HQOPYPBVJXZTFJ-FUHWJXTLSA-N 0 1 381.948 3.408 20 0 GGADMN COc1ccc(CN(C(=O)NCCN2CCc3ccccc3C2)C2CC2)cc1 ZINC000121805481 1414262950 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GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177582696 1428803111 /nfs/dbraw/zinc/80/31/11/1428803111.db2.gz GTLZDNQORUNWCM-UGKGYDQZSA-N 0 1 388.552 3.392 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177582855 1428803222 /nfs/dbraw/zinc/80/32/22/1428803222.db2.gz UTPFWDOSFCHRAT-UTKZUKDTSA-N 0 1 392.515 3.395 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(CN2CCCCC2=O)CC1 ZINC000122171387 1414379332 /nfs/dbraw/zinc/37/93/32/1414379332.db2.gz YDWOXRJXQPSBIY-LJQANCHMSA-N 0 1 385.552 3.148 20 0 GGADMN COc1ccc(F)c(NC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000122174320 1414379723 /nfs/dbraw/zinc/37/97/23/1414379723.db2.gz YZDRFNKDKNNUIL-UHFFFAOYSA-N 0 1 379.476 3.191 20 0 GGADMN Cc1cc(C)n(-c2cccc(NC(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c2)n1 ZINC000122180459 1414380936 /nfs/dbraw/zinc/38/09/36/1414380936.db2.gz XCLRHOWAKOHGLX-QZTJIDSGSA-N 0 1 385.512 3.110 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000122182236 1414382100 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ZINC000823674537 1428805241 /nfs/dbraw/zinc/80/52/41/1428805241.db2.gz RFWQSLIFSNBMGE-DNVCBOLYSA-N 0 1 381.505 3.014 20 0 GGADMN O=C(CN1CCCCC[C@@H]1/C=C/c1ccccc1)NCCCN1CCCC1=O ZINC000122262676 1414404683 /nfs/dbraw/zinc/40/46/83/1414404683.db2.gz FZNPVACRULZOLJ-QZMUEMGWSA-N 0 1 383.536 3.073 20 0 GGADMN COc1ccccc1OCCCNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cccc12 ZINC000821903871 1428805588 /nfs/dbraw/zinc/80/55/88/1428805588.db2.gz NCTKQBGCCLWHDH-UHFFFAOYSA-N 0 1 390.447 3.035 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000122276900 1414409375 /nfs/dbraw/zinc/40/93/75/1414409375.db2.gz XOCHTSXBNHCERU-LEQVUBRHSA-N 0 1 383.536 3.072 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000122281554 1414410790 /nfs/dbraw/zinc/41/07/90/1414410790.db2.gz GPIFARHSABYDEV-AWEZNQCLSA-N 0 1 394.924 3.429 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000122287301 1414412837 /nfs/dbraw/zinc/41/28/37/1414412837.db2.gz JRNYSJSMJDKNCG-JTQLQIEISA-N 0 1 381.383 3.453 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(F)c(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122291719 1414414637 /nfs/dbraw/zinc/41/46/37/1414414637.db2.gz VSPCCQMMVZTHCI-LJQANCHMSA-N 0 1 383.467 3.196 20 0 GGADMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1nnc(-c2ccco2)o1 ZINC000122291683 1414414842 /nfs/dbraw/zinc/41/48/42/1414414842.db2.gz JPFUTZUKEAUROD-CMDGGOBGSA-N 0 1 394.416 3.349 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736400896 1428812069 /nfs/dbraw/zinc/81/20/69/1428812069.db2.gz CYDKKKNFFHIMIE-HNNXBMFYSA-N 0 1 385.516 3.197 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736400896 1428812074 /nfs/dbraw/zinc/81/20/74/1428812074.db2.gz CYDKKKNFFHIMIE-HNNXBMFYSA-N 0 1 385.516 3.197 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736400896 1428812083 /nfs/dbraw/zinc/81/20/83/1428812083.db2.gz CYDKKKNFFHIMIE-HNNXBMFYSA-N 0 1 385.516 3.197 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(C(C)(C)C)on1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122313314 1414421183 /nfs/dbraw/zinc/42/11/83/1414421183.db2.gz OUJUJTIGPHARDL-QGZVFWFLSA-N 0 1 398.507 3.034 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN1CCC[C@@H]1c1cccc(C)c1C)c1ccccc1 ZINC000122312440 1414421235 /nfs/dbraw/zinc/42/12/35/1414421235.db2.gz VSENNOVCKVRQGM-IRLDBZIGSA-N 0 1 379.504 3.044 20 0 GGADMN CC(C)[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000122317185 1414422035 /nfs/dbraw/zinc/42/20/35/1414422035.db2.gz IFSGKKUGPTYTSH-IUODEOHRSA-N 0 1 378.473 3.023 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc(C)c1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122322611 1414423149 /nfs/dbraw/zinc/42/31/49/1414423149.db2.gz MEGOCGCOVHLUGF-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc(C)c1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122322367 1414423199 /nfs/dbraw/zinc/42/31/99/1414423199.db2.gz MEGOCGCOVHLUGF-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1OCC(F)(F)F ZINC000122326687 1414424338 /nfs/dbraw/zinc/42/43/38/1414424338.db2.gz XSDNWZMFQLYOHF-UHFFFAOYSA-N 0 1 396.774 3.486 20 0 GGADMN C[C@H](C(=O)NCCC1=CCCCC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177617330 1428812128 /nfs/dbraw/zinc/81/21/28/1428812128.db2.gz HGGISFIETLVXMY-WIYYLYMNSA-N 0 1 378.557 3.432 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000122329930 1414425843 /nfs/dbraw/zinc/42/58/43/1414425843.db2.gz DMRFSGWUYMLWIO-UHFFFAOYSA-N 0 1 388.512 3.001 20 0 GGADMN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000122333134 1414426420 /nfs/dbraw/zinc/42/64/20/1414426420.db2.gz GYUGNQBPIOBOOD-ZDUSSCGKSA-N 0 1 387.461 3.318 20 0 GGADMN COc1ccc([C@@H](C)N(C)CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000122335410 1414427231 /nfs/dbraw/zinc/42/72/31/1414427231.db2.gz TWSIEBPWSPOFAU-IERDGZPVSA-N 0 1 386.467 3.427 20 0 GGADMN C/C(=C\C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1OC(F)F ZINC000177600677 1428807376 /nfs/dbraw/zinc/80/73/76/1428807376.db2.gz PAFHYPHEYMIAFQ-JQIJEIRASA-N 0 1 394.462 3.262 20 0 GGADMN Cc1sc2ncn(NC(=O)c3cnn(-c4ccccc4F)c3C)c(=O)c2c1C ZINC000122341442 1414428444 /nfs/dbraw/zinc/42/84/44/1414428444.db2.gz UUHGVGISJSELFN-UHFFFAOYSA-N 0 1 397.435 3.092 20 0 GGADMN CCCc1csc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000122364930 1414435897 /nfs/dbraw/zinc/43/58/97/1414435897.db2.gz JUULTXICNBSOKT-UHFFFAOYSA-N 0 1 380.558 3.452 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@@H](O)c1ccco1)c1ccccc1Cl ZINC000122366482 1414436231 /nfs/dbraw/zinc/43/62/31/1414436231.db2.gz GAKSIWZZXXICDE-IAGOWNOFSA-N 0 1 379.888 3.349 20 0 GGADMN CCCc1cnc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000122368746 1414436716 /nfs/dbraw/zinc/43/67/16/1414436716.db2.gz MZGZJOOENBACLD-UHFFFAOYSA-N 0 1 380.558 3.452 20 0 GGADMN O=C(CN1CCC(OC[C@@H]2CCCCO2)CC1)N(Cc1ccccc1)C1CC1 ZINC000177603968 1428808483 /nfs/dbraw/zinc/80/84/83/1428808483.db2.gz DRSQYGGWSIZVTC-QFIPXVFZSA-N 0 1 386.536 3.228 20 0 GGADMN O=C(CN1CCC(OC[C@H]2CCCCO2)CC1)N(Cc1ccccc1)C1CC1 ZINC000177603990 1428808555 /nfs/dbraw/zinc/80/85/55/1428808555.db2.gz DRSQYGGWSIZVTC-JOCHJYFZSA-N 0 1 386.536 3.228 20 0 GGADMN Cc1csc(-c2cccc(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)c2)n1 ZINC000122380991 1414441277 /nfs/dbraw/zinc/44/12/77/1414441277.db2.gz KBDQVJYAMVQKRN-LJQANCHMSA-N 0 1 386.565 3.120 20 0 GGADMN CN(Cc1cc2c(cc1OC(F)F)OCO2)C[C@H](O)c1ccc(F)c(F)c1 ZINC000122387846 1414442961 /nfs/dbraw/zinc/44/29/61/1414442961.db2.gz JJWATMXJPOUISI-AWEZNQCLSA-N 0 1 387.329 3.460 20 0 GGADMN CN(Cc1cc2c(cc1OC(F)F)OCO2)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000122388044 1414443100 /nfs/dbraw/zinc/44/31/00/1414443100.db2.gz JJWATMXJPOUISI-CQSZACIVSA-N 0 1 387.329 3.460 20 0 GGADMN O=C(CCOC[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000122406252 1414448801 /nfs/dbraw/zinc/44/88/01/1414448801.db2.gz BMZWHPUOIPZVAL-AVRDEDQJSA-N 0 1 379.460 3.354 20 0 GGADMN O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823187173 1428809329 /nfs/dbraw/zinc/80/93/29/1428809329.db2.gz DVDYDRWOZFTXGG-UHFFFAOYSA-N 0 1 389.479 3.174 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000122444157 1414462007 /nfs/dbraw/zinc/46/20/07/1414462007.db2.gz ULSOBNGXZLYFFD-RTBURBONSA-N 0 1 376.570 3.362 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000122469136 1414471394 /nfs/dbraw/zinc/47/13/94/1414471394.db2.gz QFRNIDGLXQAMDS-OXQOHEQNSA-N 0 1 375.534 3.470 20 0 GGADMN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000122469932 1414471458 /nfs/dbraw/zinc/47/14/58/1414471458.db2.gz JTXSWYJTKUTKPK-QGZVFWFLSA-N 0 1 399.922 3.193 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000122468921 1414471479 /nfs/dbraw/zinc/47/14/79/1414471479.db2.gz QFRNIDGLXQAMDS-OXJNMPFZSA-N 0 1 375.534 3.470 20 0 GGADMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177616219 1428811636 /nfs/dbraw/zinc/81/16/36/1428811636.db2.gz JHWDIESNJJLBQC-VQIMIIECSA-N 0 1 392.565 3.071 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000122491321 1414480165 /nfs/dbraw/zinc/48/01/65/1414480165.db2.gz PJKVZKCYKBNRDF-UHFFFAOYSA-N 0 1 398.532 3.340 20 0 GGADMN CNC(=O)c1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1 ZINC000122495339 1414481290 /nfs/dbraw/zinc/48/12/90/1414481290.db2.gz XZQRKHLFJCFOMV-UHFFFAOYSA-N 0 1 394.519 3.473 20 0 GGADMN CC(C)c1ccc(CC2CCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)cc1 ZINC000122521654 1414489055 /nfs/dbraw/zinc/48/90/55/1414489055.db2.gz OOCSUTBGRCBWGR-JOCHJYFZSA-N 0 1 386.584 3.020 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC2CCC2)c1 ZINC000122541817 1414494381 /nfs/dbraw/zinc/49/43/81/1414494381.db2.gz CXFNLYLNROPULG-UHFFFAOYSA-N 0 1 388.489 3.416 20 0 GGADMN Cc1noc(C)c1CN1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC000122614110 1414518155 /nfs/dbraw/zinc/51/81/55/1414518155.db2.gz JJAJRMDMEBZHEK-UHFFFAOYSA-N 0 1 399.882 3.293 20 0 GGADMN COc1cc(CNC(=O)c2n[nH]c3ccccc32)ccc1OCC(F)(F)F ZINC000122636076 1414525120 /nfs/dbraw/zinc/52/51/20/1414525120.db2.gz ZBZXWOFEEUUZAO-UHFFFAOYSA-N 0 1 379.338 3.443 20 0 GGADMN C[C@H]1CN(C(=O)NCCN(C)Cc2ccc(F)cc2)C[C@@H](c2ccsc2)O1 ZINC000122649448 1414529047 /nfs/dbraw/zinc/52/90/47/1414529047.db2.gz IIZANENNBMIBPC-KXBFYZLASA-N 0 1 391.512 3.491 20 0 GGADMN COC(=O)c1nn(CN2CC[C@H](COCc3ccccc3)C2)c2ccccc21 ZINC000177627101 1428815644 /nfs/dbraw/zinc/81/56/44/1428815644.db2.gz FLRSMJIKKOBRAJ-SFHVURJKSA-N 0 1 379.460 3.319 20 0 GGADMN C[C@H](C(=O)N1CCCC[C@@H]1c1ncon1)N1CCC(Cc2ccccc2)CC1 ZINC000122665650 1414533131 /nfs/dbraw/zinc/53/31/31/1414533131.db2.gz PCLFBUDZEQVPKX-YLJYHZDGSA-N 0 1 382.508 3.466 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000122674231 1414534893 /nfs/dbraw/zinc/53/48/93/1414534893.db2.gz RXPMNYNGAGXHJP-UHFFFAOYSA-N 0 1 381.524 3.453 20 0 GGADMN COCCCOC1CCN([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000122679860 1414536536 /nfs/dbraw/zinc/53/65/36/1414536536.db2.gz KTOCQOYHLJWWLR-AEFFLSMTSA-N 0 1 380.554 3.318 20 0 GGADMN CN(CCC1CC1)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000122688296 1414538652 /nfs/dbraw/zinc/53/86/52/1414538652.db2.gz PKAHOKVSNPXJIQ-UHFFFAOYSA-N 0 1 398.473 3.399 20 0 GGADMN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC000122690997 1414539915 /nfs/dbraw/zinc/53/99/15/1414539915.db2.gz RXFLJDBLBXTJIV-UHFFFAOYSA-N 0 1 391.280 3.266 20 0 GGADMN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)n[nH]1 ZINC000177630487 1428816543 /nfs/dbraw/zinc/81/65/43/1428816543.db2.gz DRHWYXVRQFEDDO-UHFFFAOYSA-N 0 1 378.432 3.046 20 0 GGADMN C[C@@H](C1CC1)N(CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccccc1 ZINC000122721064 1414548303 /nfs/dbraw/zinc/54/83/03/1414548303.db2.gz LNCCSJIHAMPCJK-HNNXBMFYSA-N 0 1 394.454 3.041 20 0 GGADMN CCc1c(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cnn1CC(C)C ZINC000122733632 1414551995 /nfs/dbraw/zinc/55/19/95/1414551995.db2.gz NBQQTUDRVWUSTC-UHFFFAOYSA-N 0 1 383.540 3.101 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)Nc3cc(Cl)cc(Cl)c3)cn2)CC1 ZINC000122751169 1414555789 /nfs/dbraw/zinc/55/57/89/1414555789.db2.gz WGIWKPGHXUNCOD-UHFFFAOYSA-N 0 1 394.306 3.462 20 0 GGADMN CC(C)N1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000122750092 1414555958 /nfs/dbraw/zinc/55/59/58/1414555958.db2.gz USZVQKYCJJATPJ-UHFFFAOYSA-N 0 1 383.458 3.222 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(N2CCOC2=O)cc1 ZINC000122765356 1414558855 /nfs/dbraw/zinc/55/88/55/1414558855.db2.gz WIQGTJYVBHRZOD-UHFFFAOYSA-N 0 1 383.795 3.334 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c(Cl)cc1F ZINC000122788768 1414564858 /nfs/dbraw/zinc/56/48/58/1414564858.db2.gz OPFAWOUVLMRWMP-UHFFFAOYSA-N 0 1 397.815 3.251 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000820743785 1428818787 /nfs/dbraw/zinc/81/87/87/1428818787.db2.gz VREVEFGPWLGWQQ-XQQFMLRXSA-N 0 1 388.541 3.112 20 0 GGADMN Cc1ccc(CN(CCCN2C(=O)NC(C)(C)C2=O)Cc2ccco2)s1 ZINC000122813519 1414571172 /nfs/dbraw/zinc/57/11/72/1414571172.db2.gz HZYAGYJQTSDELU-UHFFFAOYSA-N 0 1 375.494 3.372 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000122816990 1414572355 /nfs/dbraw/zinc/57/23/55/1414572355.db2.gz YVEWOTGBJRXNRC-BTYIYWSLSA-N 0 1 387.501 3.361 20 0 GGADMN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(Cl)cc1Br ZINC000122851628 1414580208 /nfs/dbraw/zinc/58/02/08/1414580208.db2.gz TYLAXBLGTKGFEQ-LLVKDONJSA-N 0 1 375.675 3.068 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)[nH]1 ZINC000122823829 1414574303 /nfs/dbraw/zinc/57/43/03/1414574303.db2.gz KXCMBTONYXNRDD-CYBMUJFWSA-N 0 1 396.948 3.383 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000122823829 1414574310 /nfs/dbraw/zinc/57/43/10/1414574310.db2.gz KXCMBTONYXNRDD-CYBMUJFWSA-N 0 1 396.948 3.383 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000122827210 1414574988 /nfs/dbraw/zinc/57/49/88/1414574988.db2.gz REPWLVIDYIXLTR-UZLBHIALSA-N 0 1 397.544 3.267 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000122831769 1414575780 /nfs/dbraw/zinc/57/57/80/1414575780.db2.gz HFQIYHZKBIJPHN-YJBOKZPZSA-N 0 1 383.517 3.126 20 0 GGADMN CN1CCc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2C1=O ZINC000122834060 1414576156 /nfs/dbraw/zinc/57/61/56/1414576156.db2.gz DCTKWPKITSPHKT-UHFFFAOYSA-N 0 1 384.379 3.134 20 0 GGADMN CCN(C[C@@H]1CCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)C1)CC(F)(F)F ZINC000177639393 1428819547 /nfs/dbraw/zinc/81/95/47/1428819547.db2.gz YQYKPNGPCIEJDO-ROUUACIJSA-N 0 1 399.457 3.214 20 0 GGADMN CC(C)[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000122844112 1414578625 /nfs/dbraw/zinc/57/86/25/1414578625.db2.gz FMEBGKQSDZTYDP-LELNBSJKSA-N 0 1 386.521 3.387 20 0 GGADMN CC(C)[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000122843728 1414578669 /nfs/dbraw/zinc/57/86/69/1414578669.db2.gz FMEBGKQSDZTYDP-FNPQLZQRSA-N 0 1 386.521 3.387 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N[C@H]3CCCc4occc43)CC2)c1 ZINC000122854409 1414580914 /nfs/dbraw/zinc/58/09/14/1414580914.db2.gz HQZOHSKFFGGEPX-NRFANRHFSA-N 0 1 396.535 3.477 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCc3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1 ZINC000122856526 1414581415 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GGADMN CC[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N(C)C ZINC000124441521 1414969716 /nfs/dbraw/zinc/96/97/16/1414969716.db2.gz KMYJQLSJIGXAOR-QGZVFWFLSA-N 0 1 395.912 3.420 20 0 GGADMN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCC[C@@](C)(O)C1 ZINC000124461519 1414973746 /nfs/dbraw/zinc/97/37/46/1414973746.db2.gz AFFPKFCOJXMRQY-JLTOFOAXSA-N 0 1 387.505 3.174 20 0 GGADMN NC(=O)[C@@H](c1ccccc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000124506874 1414983801 /nfs/dbraw/zinc/98/38/01/1414983801.db2.gz OYJDKMSMEYCIPZ-LJQANCHMSA-N 0 1 391.437 3.440 20 0 GGADMN CCCCOc1cccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)c1 ZINC000124529513 1414988133 /nfs/dbraw/zinc/98/81/33/1414988133.db2.gz BYZBUHGKKDFSRA-UHFFFAOYSA-N 0 1 389.540 3.119 20 0 GGADMN Cc1ccc(OC(F)F)c([C@@H](C)NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000177769418 1428854361 /nfs/dbraw/zinc/85/43/61/1428854361.db2.gz REDBJUUOCMKJTN-OAHLLOKOSA-N 0 1 398.475 3.367 20 0 GGADMN C=C1c2ccccc2C(=O)N1CCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000124591076 1415001121 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COc1ccccc1CNC(=O)[C@@H](C)N1CCC(OCCc2ccccc2)CC1 ZINC000125730312 1415264768 /nfs/dbraw/zinc/26/47/68/1415264768.db2.gz QGADMSLKPJHUIN-LJQANCHMSA-N 0 1 396.531 3.424 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2=C(C)OCCC2)CC1 ZINC000125735987 1415265889 /nfs/dbraw/zinc/26/58/89/1415265889.db2.gz JKRFGXPFFULDPG-OAHLLOKOSA-N 0 1 375.488 3.229 20 0 GGADMN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)NCc1cccnc1 ZINC000125737520 1415266654 /nfs/dbraw/zinc/26/66/54/1415266654.db2.gz VSBGBDIOXDEFPC-UHFFFAOYSA-N 0 1 398.510 3.085 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CCC(=O)NC1CCCC1 ZINC000125740106 1415267248 /nfs/dbraw/zinc/26/72/48/1415267248.db2.gz STMGVEXUDMEZRK-UHFFFAOYSA-N 0 1 389.565 3.321 20 0 GGADMN C[C@H](OC(=O)CN1CCN(c2ccccn2)CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000125752819 1415270280 /nfs/dbraw/zinc/27/02/80/1415270280.db2.gz WIPVGDQIBRXJEN-AWEZNQCLSA-N 0 1 399.882 3.038 20 0 GGADMN C[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000177898910 1428886952 /nfs/dbraw/zinc/88/69/52/1428886952.db2.gz MZPNRSSRUPHLQC-MRXNPFEDSA-N 0 1 386.517 3.063 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000125762508 1415273760 /nfs/dbraw/zinc/27/37/60/1415273760.db2.gz VEZCDDJLXYKLHV-UHFFFAOYSA-N 0 1 378.476 3.215 20 0 GGADMN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(N2CCCC2=O)c1 ZINC000125766836 1415274685 /nfs/dbraw/zinc/27/46/85/1415274685.db2.gz QWDVIQXJNOLCMZ-INIZCTEOSA-N 0 1 386.517 3.209 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2nc(-c3nccn3C)cs2)cc1 ZINC000125766030 1415274878 /nfs/dbraw/zinc/27/48/78/1415274878.db2.gz KPEZVLYOOUSZSE-UHFFFAOYSA-N 0 1 380.433 3.195 20 0 GGADMN Cc1cc(CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)no1 ZINC000125774408 1415277542 /nfs/dbraw/zinc/27/75/42/1415277542.db2.gz NTBPZBQGSWNJRU-UHFFFAOYSA-N 0 1 387.856 3.291 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)NC[C@@H]3CCCN3Cc3ccccc3)ccc2[nH]1 ZINC000125789317 1415280996 /nfs/dbraw/zinc/28/09/96/1415280996.db2.gz UXPMSRJTXBXWHU-FQEVSTJZSA-N 0 1 390.487 3.196 20 0 GGADMN O=C(NCc1ccn(-c2ccccc2)n1)NC[C@H](c1ccco1)N1CCCC1 ZINC000125794580 1415282758 /nfs/dbraw/zinc/28/27/58/1415282758.db2.gz UOOBBCZRXKFDSU-LJQANCHMSA-N 0 1 379.464 3.102 20 0 GGADMN O=C(NCc1ccn(-c2ccccc2)n1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000125794391 1415282830 /nfs/dbraw/zinc/28/28/30/1415282830.db2.gz UOOBBCZRXKFDSU-IBGZPJMESA-N 0 1 379.464 3.102 20 0 GGADMN CCc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)[nH]1 ZINC000125794150 1415282842 /nfs/dbraw/zinc/28/28/42/1415282842.db2.gz CWYSPNWREYEXIX-HNNXBMFYSA-N 0 1 377.448 3.011 20 0 GGADMN CCc1n[nH]c(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)n1 ZINC000125794150 1415282847 /nfs/dbraw/zinc/28/28/47/1415282847.db2.gz CWYSPNWREYEXIX-HNNXBMFYSA-N 0 1 377.448 3.011 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccc(OCC(F)F)n2)N2CCCC2)o1 ZINC000125796013 1415283384 /nfs/dbraw/zinc/28/33/84/1415283384.db2.gz UANRWGCJHLCMIX-HNNXBMFYSA-N 0 1 379.407 3.194 20 0 GGADMN COc1ccc2[nH]cc(C3CCN([C@H](C)C(=O)NC[C@H]4CCCO4)CC3)c2c1 ZINC000125798637 1415283992 /nfs/dbraw/zinc/28/39/92/1415283992.db2.gz JTGKSHNENHEYEY-CRAIPNDOSA-N 0 1 385.508 3.040 20 0 GGADMN COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)NC[C@@H]4CCCO4)CC3)c2c1 ZINC000125798000 1415284060 /nfs/dbraw/zinc/28/40/60/1415284060.db2.gz JTGKSHNENHEYEY-YJBOKZPZSA-N 0 1 385.508 3.040 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cnn(Cc2ccccc2)c1)c1cccc(F)c1 ZINC000125822398 1415290107 /nfs/dbraw/zinc/29/01/07/1415290107.db2.gz ZBFBMIPDGODNEF-FQEVSTJZSA-N 0 1 381.455 3.495 20 0 GGADMN O=C(c1ccccc1F)N1CCCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000125837901 1415294193 /nfs/dbraw/zinc/29/41/93/1415294193.db2.gz LIOHCGBVJYFVQP-IBGZPJMESA-N 0 1 376.859 3.361 20 0 GGADMN Nn1c(SCc2noc3c2CCCC3)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000125857877 1415298695 /nfs/dbraw/zinc/29/86/95/1415298695.db2.gz VIBZHKAMBSZSHZ-UHFFFAOYSA-N 0 1 393.476 3.208 20 0 GGADMN Nn1c(SCCC(=O)c2ccccc2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000125862766 1415299789 /nfs/dbraw/zinc/29/97/89/1415299789.db2.gz AMGRTRCZOQHCTD-UHFFFAOYSA-N 0 1 390.472 3.414 20 0 GGADMN C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569576 1428896109 /nfs/dbraw/zinc/89/61/09/1428896109.db2.gz IVNNTMKBWPIBLW-GTNSWQLSSA-N 0 1 390.413 3.238 20 0 GGADMN COc1ccc(C(=O)NC2(C)CCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000125868761 1415301387 /nfs/dbraw/zinc/30/13/87/1415301387.db2.gz LFMMWMNKOFEWFG-UHFFFAOYSA-N 0 1 388.489 3.477 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)CC1 ZINC000125883269 1415304114 /nfs/dbraw/zinc/30/41/14/1415304114.db2.gz VYIAWLMSCQETIM-KRWDZBQOSA-N 0 1 380.488 3.166 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(N2CCCc3ccccc32)cc1)N1CCN(C)CC1 ZINC000125921157 1415313967 /nfs/dbraw/zinc/31/39/67/1415313967.db2.gz YMXGHMWIFHJSMK-IBGZPJMESA-N 0 1 392.547 3.137 20 0 GGADMN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1 ZINC000125947048 1415318984 /nfs/dbraw/zinc/31/89/84/1415318984.db2.gz OBXVGDMBLIGHIM-LBPRGKRZSA-N 0 1 394.479 3.208 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C(N)=O)c1ccccc1 ZINC000125967429 1415325323 /nfs/dbraw/zinc/32/53/23/1415325323.db2.gz GUEYOLGYRVIKSL-SJCJKPOMSA-N 0 1 379.382 3.239 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C(N)=O)c1ccccc1 ZINC000125967708 1415325547 /nfs/dbraw/zinc/32/55/47/1415325547.db2.gz GUEYOLGYRVIKSL-PXAZEXFGSA-N 0 1 379.382 3.239 20 0 GGADMN C[C@@]1(CO)CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000125970027 1415326234 /nfs/dbraw/zinc/32/62/34/1415326234.db2.gz KDNHBXOYZFCZGP-OAQYLSRUSA-N 0 1 393.959 3.356 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cnn(C)c2C)cc1 ZINC000177958682 1428901754 /nfs/dbraw/zinc/90/17/54/1428901754.db2.gz WEZLDKVMCIATRJ-LSDHHAIUSA-N 0 1 378.542 3.171 20 0 GGADMN COc1ccnc(N2CCN(C(=O)C[C@@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000125987657 1415330363 /nfs/dbraw/zinc/33/03/63/1415330363.db2.gz JGKFAPSQRBPNMR-CQSZACIVSA-N 0 1 375.419 3.211 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN1CCCCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000125994678 1415332196 /nfs/dbraw/zinc/33/21/96/1415332196.db2.gz CRHYNIIXNOTXLL-IFMALSPDSA-N 0 1 379.504 3.207 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnn1C ZINC000177962977 1428903871 /nfs/dbraw/zinc/90/38/71/1428903871.db2.gz YSQNSDVWHSAQBX-HZPDHXFCSA-N 0 1 390.553 3.315 20 0 GGADMN COCCN1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000126050401 1415344589 /nfs/dbraw/zinc/34/45/89/1415344589.db2.gz SZHVUMYOUCINDL-UHFFFAOYSA-N 0 1 375.900 3.078 20 0 GGADMN Cc1cc(CN2CCN(c3cnn(C)c3)CC2)cc(C)c1OCc1ccccn1 ZINC000126055885 1415346267 /nfs/dbraw/zinc/34/62/67/1415346267.db2.gz NLRLFNHGUKRJPX-UHFFFAOYSA-N 0 1 391.519 3.333 20 0 GGADMN Cc1cc(C)nc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000126067571 1415350055 /nfs/dbraw/zinc/35/00/55/1415350055.db2.gz QMHRMUBTRQOUTH-MRXNPFEDSA-N 0 1 385.487 3.472 20 0 GGADMN COc1cccc(OC)c1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000126096364 1415356664 /nfs/dbraw/zinc/35/66/64/1415356664.db2.gz ZBFOZMXOYJKQLG-IRXDYDNUSA-N 0 1 398.503 3.243 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)c1ccco1 ZINC000177934906 1428894834 /nfs/dbraw/zinc/89/48/34/1428894834.db2.gz ZCKDHFUDLKUEFF-GOSISDBHSA-N 0 1 386.496 3.494 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CCc2nc(C3CCCC3)no2)N(C)C)c1 ZINC000126124814 1415363815 /nfs/dbraw/zinc/36/38/15/1415363815.db2.gz OXRDDOJTCSHXIR-GOSISDBHSA-N 0 1 386.496 3.088 20 0 GGADMN C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000126123718 1415363835 /nfs/dbraw/zinc/36/38/35/1415363835.db2.gz IVWHZZSXQJHZKD-MRXNPFEDSA-N 0 1 386.517 3.177 20 0 GGADMN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)Cc2cc(C)[nH]n2)c1 ZINC000177989794 1428918705 /nfs/dbraw/zinc/91/87/05/1428918705.db2.gz HBRZHHHORBUDDV-UHFFFAOYSA-N 0 1 379.416 3.265 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)Cc3cc(C)n[nH]3)cc2Cl)CC1 ZINC000126192853 1415381615 /nfs/dbraw/zinc/38/16/15/1415381615.db2.gz HAOQRTQKHKDZJG-UHFFFAOYSA-N 0 1 375.904 3.085 20 0 GGADMN O=c1nc(CN2CCN(CC3CC3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000126196005 1415382434 /nfs/dbraw/zinc/38/24/34/1415382434.db2.gz DPWURANQAGAVMA-UHFFFAOYSA-N 0 1 380.517 3.179 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000126211231 1415385549 /nfs/dbraw/zinc/38/55/49/1415385549.db2.gz NDVUHKQJTPRPSJ-NRFANRHFSA-N 0 1 395.503 3.367 20 0 GGADMN Oc1ccc(Br)c(CNC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000126217062 1415386099 /nfs/dbraw/zinc/38/60/99/1415386099.db2.gz IHBFLLOGTCEVSF-INIZCTEOSA-N 0 1 397.338 3.379 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(C)C)cc1S(=O)(=O)Nc1ccccc1 ZINC000126217547 1415386619 /nfs/dbraw/zinc/38/66/19/1415386619.db2.gz XFTGVRYAOFZWSV-UHFFFAOYSA-N 0 1 375.494 3.075 20 0 GGADMN CC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000126226480 1415388833 /nfs/dbraw/zinc/38/88/33/1415388833.db2.gz OFDMQOBTONXSOJ-FZKQIMNGSA-N 0 1 394.313 3.296 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCN(CC3CC3)CC2)cc1 ZINC000126228168 1415388935 /nfs/dbraw/zinc/38/89/35/1415388935.db2.gz JAOJLOYFNIOPGU-QFIPXVFZSA-N 0 1 385.552 3.167 20 0 GGADMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824698951 1428907239 /nfs/dbraw/zinc/90/72/39/1428907239.db2.gz OTWJGWWMYXLUIG-JXFKEZNVSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824698951 1428907240 /nfs/dbraw/zinc/90/72/40/1428907240.db2.gz OTWJGWWMYXLUIG-JXFKEZNVSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824698951 1428907242 /nfs/dbraw/zinc/90/72/42/1428907242.db2.gz OTWJGWWMYXLUIG-JXFKEZNVSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@H]1CNCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000126231264 1415390084 /nfs/dbraw/zinc/39/00/84/1415390084.db2.gz ZNQWRECCGRAYTN-HNAYVOBHSA-N 0 1 385.895 3.022 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000126231173 1415390143 /nfs/dbraw/zinc/39/01/43/1415390143.db2.gz JSMWOSRKLLIOTC-UHFFFAOYSA-N 0 1 395.469 3.224 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000126232193 1415390169 /nfs/dbraw/zinc/39/01/69/1415390169.db2.gz QSYNOEMDXIZQBA-DEOSSOPVSA-N 0 1 389.543 3.188 20 0 GGADMN C[C@@H](CC(=O)N(C)c1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177970861 1428908298 /nfs/dbraw/zinc/90/82/98/1428908298.db2.gz CMBFRRLKWQHABL-HNNXBMFYSA-N 0 1 394.924 3.145 20 0 GGADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000177973017 1428909556 /nfs/dbraw/zinc/90/95/56/1428909556.db2.gz GEULXNKCIUCQDT-PMACEKPBSA-N 0 1 388.556 3.281 20 0 GGADMN C[C@H](O)CCN(C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000126287636 1415404130 /nfs/dbraw/zinc/40/41/30/1415404130.db2.gz KKJPDISGGQZYKN-KRWDZBQOSA-N 0 1 390.528 3.126 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CN1C1CC1 ZINC000126286798 1415404591 /nfs/dbraw/zinc/40/45/91/1415404591.db2.gz CSDWIFSZIHOLTQ-SWLSCSKDSA-N 0 1 398.475 3.120 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H](CO)c2ccccc2)N2CCCCC2)cc1 ZINC000126290579 1415406374 /nfs/dbraw/zinc/40/63/74/1415406374.db2.gz LAVZBACNSCFZCO-FCHUYYIVSA-N 0 1 397.519 3.255 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@H](CO)c2ccccc2)N2CCCCC2)cc1 ZINC000126290894 1415406447 /nfs/dbraw/zinc/40/64/47/1415406447.db2.gz LAVZBACNSCFZCO-FGZHOGPDSA-N 0 1 397.519 3.255 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H](CO)c2ccccc2)N2CCCCC2)cc1 ZINC000126290765 1415406472 /nfs/dbraw/zinc/40/64/72/1415406472.db2.gz LAVZBACNSCFZCO-VXKWHMMOSA-N 0 1 397.519 3.255 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)n[nH]2)cc1OC ZINC000126295715 1415408556 /nfs/dbraw/zinc/40/85/56/1415408556.db2.gz RIUQQCJJIDWQFM-KBXCAEBGSA-N 0 1 395.463 3.014 20 0 GGADMN COC(=O)c1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(F)cc1F ZINC000126299076 1415411016 /nfs/dbraw/zinc/41/10/16/1415411016.db2.gz GLJCXLACSFKWAQ-KRWDZBQOSA-N 0 1 395.381 3.315 20 0 GGADMN C[C@H](NCC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000126299266 1415411089 /nfs/dbraw/zinc/41/10/89/1415411089.db2.gz USDGVTVINDWLFL-HNNXBMFYSA-N 0 1 384.430 3.160 20 0 GGADMN O=C([C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1)N1CCCCC1 ZINC000126301765 1415411953 /nfs/dbraw/zinc/41/19/53/1415411953.db2.gz LLOFGTOAHYOMIY-QUCCMNQESA-N 0 1 382.483 3.143 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000126312895 1415414669 /nfs/dbraw/zinc/41/46/69/1415414669.db2.gz COOCTIJFSVTJLO-HXUWFJFHSA-N 0 1 398.482 3.373 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000126315603 1415415578 /nfs/dbraw/zinc/41/55/78/1415415578.db2.gz XGGULVFMSJSOAA-RTBURBONSA-N 0 1 397.563 3.467 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000126316092 1415416733 /nfs/dbraw/zinc/41/67/33/1415416733.db2.gz XGGULVFMSJSOAA-MOPGFXCFSA-N 0 1 397.563 3.467 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(OCCO)cc1C(F)(F)F ZINC000126318643 1415416750 /nfs/dbraw/zinc/41/67/50/1415416750.db2.gz CRNQEUMOZXBIAT-UHFFFAOYSA-N 0 1 393.358 3.325 20 0 GGADMN COc1ccc2oc(CN[C@H]3CCN(c4cc(OC)cc(OC)c4)C3=O)cc2c1 ZINC000126326110 1415418402 /nfs/dbraw/zinc/41/84/02/1415418402.db2.gz KTFCKGVNWALFMW-FQEVSTJZSA-N 0 1 396.443 3.354 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)c2c[nH]c3ccccc3c2=O)n(-c2ccccc2)n1 ZINC000126333096 1415419748 /nfs/dbraw/zinc/41/97/48/1415419748.db2.gz JFCWAUSXUOUDPE-HNNXBMFYSA-N 0 1 386.455 3.383 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(NC(=O)NC4CC4)c3)n2)cc1 ZINC000126345402 1415422986 /nfs/dbraw/zinc/42/29/86/1415422986.db2.gz AFTRLMIHOOHQRC-UHFFFAOYSA-N 0 1 376.420 3.316 20 0 GGADMN O=C(Nc1ccccc1O[C@@H]1CCOC1)NC1CCN(Cc2ccncc2)CC1 ZINC000177982951 1428914579 /nfs/dbraw/zinc/91/45/79/1428914579.db2.gz ZJMZAMMZBNGGCU-LJQANCHMSA-N 0 1 396.491 3.035 20 0 GGADMN COc1ccccc1[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccn1 ZINC000126396373 1415436978 /nfs/dbraw/zinc/43/69/78/1415436978.db2.gz TVCPXNDAXRDWJF-NRFANRHFSA-N 0 1 385.423 3.451 20 0 GGADMN Cc1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cnc1Cl ZINC000126397013 1415437897 /nfs/dbraw/zinc/43/78/97/1415437897.db2.gz YVCKPIRYOUQMMZ-SJLPKXTDSA-N 0 1 388.899 3.048 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000126416180 1415445292 /nfs/dbraw/zinc/44/52/92/1415445292.db2.gz SYGDKWOBPSTWHV-GVDBMIGSSA-N 0 1 379.570 3.312 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@H](O)c2c(F)cccc2F)N2CCCC2)o1 ZINC000126434041 1415452102 /nfs/dbraw/zinc/45/21/02/1415452102.db2.gz BRHNCWOFGFSMPW-SJORKVTESA-N 0 1 393.434 3.036 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@H](O)c2c(F)cccc2F)N2CCCC2)o1 ZINC000126434221 1415452941 /nfs/dbraw/zinc/45/29/41/1415452941.db2.gz BRHNCWOFGFSMPW-IRXDYDNUSA-N 0 1 393.434 3.036 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Cc2ccc(C)nc2)CC1 ZINC000126439937 1415453637 /nfs/dbraw/zinc/45/36/37/1415453637.db2.gz PIZLHVQSHRFBAP-QGZVFWFLSA-N 0 1 384.499 3.091 20 0 GGADMN Cc1noc2nc(C3CC3)cc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)c12 ZINC000126442802 1415454077 /nfs/dbraw/zinc/45/40/77/1415454077.db2.gz ATOXRSCZAJFSNB-UHFFFAOYSA-N 0 1 395.444 3.181 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000178010973 1428933169 /nfs/dbraw/zinc/93/31/69/1428933169.db2.gz NTQXKTDFCWCIDP-UHFFFAOYSA-N 0 1 387.487 3.241 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4c(s3)COCC4)n2)cc1 ZINC000178010206 1428933746 /nfs/dbraw/zinc/93/37/46/1428933746.db2.gz CIHLMHCROAVZDU-UHFFFAOYSA-N 0 1 387.490 3.040 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 ZINC000126455024 1415457900 /nfs/dbraw/zinc/45/79/00/1415457900.db2.gz BKUQCWYRJVOMRE-OAHLLOKOSA-N 0 1 378.476 3.140 20 0 GGADMN Cc1cc(CC(=O)N[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)[nH]n1 ZINC000126459660 1415458455 /nfs/dbraw/zinc/45/84/55/1415458455.db2.gz WXDZBOZEEVZZSC-SFHVURJKSA-N 0 1 391.397 3.483 20 0 GGADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cc(-n2cccn2)ccn1 ZINC000126465816 1415460761 /nfs/dbraw/zinc/46/07/61/1415460761.db2.gz SOEBEZHGPOBKSV-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN COCCOc1cccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000126467527 1415461300 /nfs/dbraw/zinc/46/13/00/1415461300.db2.gz PJXWCGAKYQYCPY-UHFFFAOYSA-N 0 1 398.507 3.416 20 0 GGADMN CC(C)COc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000126470959 1415462733 /nfs/dbraw/zinc/46/27/33/1415462733.db2.gz YCJMRMBEHAPJPK-UHFFFAOYSA-N 0 1 397.523 3.190 20 0 GGADMN Cc1nc(C(=O)N[C@H](C)[C@@H](C)C2CCCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000177998194 1428923583 /nfs/dbraw/zinc/92/35/83/1428923583.db2.gz YBMURDDUZOPYQS-NXEZZACHSA-N 0 1 399.421 3.047 20 0 GGADMN Cc1nc(C(=O)N[C@@H](C)[C@H](C)C2CCCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000177998202 1428923840 /nfs/dbraw/zinc/92/38/40/1428923840.db2.gz YBMURDDUZOPYQS-UWVGGRQHSA-N 0 1 399.421 3.047 20 0 GGADMN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3cc(C)ccc3o2)C1=O ZINC000126504758 1415472837 /nfs/dbraw/zinc/47/28/37/1415472837.db2.gz QOLJPUWGKDMZIZ-OAQYLSRUSA-N 0 1 377.400 3.243 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCC(=O)N3)N(C)C)c1 ZINC000126507060 1415473745 /nfs/dbraw/zinc/47/37/45/1415473745.db2.gz NEQDWYDHOFXVKL-LJQANCHMSA-N 0 1 382.464 3.004 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000126528818 1415478771 /nfs/dbraw/zinc/47/87/71/1415478771.db2.gz OUDFXPIRVHSPRQ-GOSISDBHSA-N 0 1 385.512 3.044 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000126531725 1415479185 /nfs/dbraw/zinc/47/91/85/1415479185.db2.gz PFOWGNXYFAVYPY-GOSISDBHSA-N 0 1 398.463 3.190 20 0 GGADMN CC[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)CCS1 ZINC000820994359 1428925188 /nfs/dbraw/zinc/92/51/88/1428925188.db2.gz HDQMCOGGLPIARU-LLVKDONJSA-N 0 1 392.435 3.348 20 0 GGADMN CC(C)NS(=O)(=O)[C@@H]1CCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000126531637 1415479456 /nfs/dbraw/zinc/47/94/56/1415479456.db2.gz JBLVNEFOGMUWGG-CYBMUJFWSA-N 0 1 387.427 3.160 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000126565535 1415493640 /nfs/dbraw/zinc/49/36/40/1415493640.db2.gz IDPASZGJAFCQLK-NHCUHLMSSA-N 0 1 387.499 3.411 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824540312 1428928283 /nfs/dbraw/zinc/92/82/83/1428928283.db2.gz WBMJXVRPSFWIGP-WILYLXEWSA-N 0 1 396.882 3.143 20 0 GGADMN C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820804476 1428928552 /nfs/dbraw/zinc/92/85/52/1428928552.db2.gz SUWXHEOGZNDAJD-JXFKEZNVSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820804476 1428928554 /nfs/dbraw/zinc/92/85/54/1428928554.db2.gz SUWXHEOGZNDAJD-JXFKEZNVSA-N 0 1 379.464 3.098 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000126582401 1415499570 /nfs/dbraw/zinc/49/95/70/1415499570.db2.gz GFAMOCMYLJDFNA-UHFFFAOYSA-N 0 1 385.830 3.227 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000824548519 1428936274 /nfs/dbraw/zinc/93/62/74/1428936274.db2.gz XLPAXEBWDOBNPA-DAYGRLMNSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824548519 1428936276 /nfs/dbraw/zinc/93/62/76/1428936276.db2.gz XLPAXEBWDOBNPA-DAYGRLMNSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824548519 1428936278 /nfs/dbraw/zinc/93/62/78/1428936278.db2.gz XLPAXEBWDOBNPA-DAYGRLMNSA-N 0 1 380.471 3.492 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000178014364 1428937030 /nfs/dbraw/zinc/93/70/30/1428937030.db2.gz XGQFUTRBFLVWBG-SFHVURJKSA-N 0 1 375.469 3.176 20 0 GGADMN O=C(C1CCC(N[C@@H](c2ncc[nH]2)c2ccccc2)CC1)N1CCSCC1 ZINC000126602016 1415504127 /nfs/dbraw/zinc/50/41/27/1415504127.db2.gz OUNBEMWYJATFOU-CTWPCTMYSA-N 0 1 384.549 3.223 20 0 GGADMN CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736532371 1428937032 /nfs/dbraw/zinc/93/70/32/1428937032.db2.gz CACZXPBSBIWTJP-GOSISDBHSA-N 0 1 397.458 3.210 20 0 GGADMN C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736859759 1428937211 /nfs/dbraw/zinc/93/72/11/1428937211.db2.gz JALTZZYLKALQJG-GOSISDBHSA-N 0 1 378.436 3.082 20 0 GGADMN C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736859759 1428937214 /nfs/dbraw/zinc/93/72/14/1428937214.db2.gz JALTZZYLKALQJG-GOSISDBHSA-N 0 1 378.436 3.082 20 0 GGADMN CC[C@@H]([NH2+]CCCOc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCO2 ZINC000825139315 1428938377 /nfs/dbraw/zinc/93/83/77/1428938377.db2.gz DSTDXBCVPBCHSC-GOSISDBHSA-N 0 1 395.463 3.148 20 0 GGADMN Cc1c([C@H](C)NCCc2nnc3n2CCCCC3)nnn1-c1ccc(Cl)cc1 ZINC000126650199 1415517582 /nfs/dbraw/zinc/51/75/82/1415517582.db2.gz FQGHQJSUWUKLAZ-AWEZNQCLSA-N 0 1 399.930 3.440 20 0 GGADMN CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821169697 1428940157 /nfs/dbraw/zinc/94/01/57/1428940157.db2.gz BASQTNCBCGCCEO-KXBFYZLASA-N 0 1 378.480 3.127 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN(c4nc(C)c(C)s4)CC3)n[nH]2)c1 ZINC000126684025 1415525766 /nfs/dbraw/zinc/52/57/66/1415525766.db2.gz ZPJJBKDHGCVQMM-UHFFFAOYSA-N 0 1 397.504 3.121 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@@](C)(O)C1 ZINC000178024313 1428942498 /nfs/dbraw/zinc/94/24/98/1428942498.db2.gz CSWPWHOOTPECPB-HSZRJFAPSA-N 0 1 382.504 3.071 20 0 GGADMN O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000126721204 1415538694 /nfs/dbraw/zinc/53/86/94/1415538694.db2.gz WNNHCCVCNFDPGJ-RXVVDRJESA-N 0 1 393.535 3.204 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccccc2OC(F)(F)F)ccc1OCC(N)=O ZINC000178027983 1428943836 /nfs/dbraw/zinc/94/38/36/1428943836.db2.gz OVSVNZDGYLLWGT-LBPRGKRZSA-N 0 1 398.381 3.309 20 0 GGADMN COc1cc(CN[C@H]2CCCOc3c(Cl)cccc32)ccc1OCC(N)=O ZINC000178028127 1428943881 /nfs/dbraw/zinc/94/38/81/1428943881.db2.gz VLRMMOZKJSEMRL-INIZCTEOSA-N 0 1 390.867 3.216 20 0 GGADMN O=C(c1cccc(F)c1)N1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000126729520 1415541760 /nfs/dbraw/zinc/54/17/60/1415541760.db2.gz OTPKWMTTWKDCAF-UHFFFAOYSA-N 0 1 378.451 3.360 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000178029388 1428944577 /nfs/dbraw/zinc/94/45/77/1428944577.db2.gz ZRFRQCPZUJTOAI-GFCCVEGCSA-N 0 1 378.856 3.072 20 0 GGADMN c1csc(-c2n[nH]cc2CNCc2ccccc2OCCN2CCOCC2)c1 ZINC000126750463 1415547356 /nfs/dbraw/zinc/54/73/56/1415547356.db2.gz NBTSAPQLQBSRPS-UHFFFAOYSA-N 0 1 398.532 3.139 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(CCO)Cc1ccccc1)N1CCCC1 ZINC000126767749 1415553282 /nfs/dbraw/zinc/55/32/82/1415553282.db2.gz YHCVCXQDMUQIKG-OAQYLSRUSA-N 0 1 397.519 3.036 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820419204 1428946553 /nfs/dbraw/zinc/94/65/53/1428946553.db2.gz FLHXJMBHESPBSW-ZDUSSCGKSA-N 0 1 384.434 3.465 20 0 GGADMN O=C(NOCc1cccnc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126775019 1415555747 /nfs/dbraw/zinc/55/57/47/1415555747.db2.gz AINPAVQYEXEYIZ-QGZVFWFLSA-N 0 1 394.397 3.106 20 0 GGADMN O=C(Cc1cccc(F)c1)N1CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000178033162 1428947071 /nfs/dbraw/zinc/94/70/71/1428947071.db2.gz RVGSABABTMBYCI-UHFFFAOYSA-N 0 1 392.478 3.288 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1Cl ZINC000126785506 1415558737 /nfs/dbraw/zinc/55/87/37/1415558737.db2.gz FUQJFBIKSYLESE-GOSISDBHSA-N 0 1 395.931 3.271 20 0 GGADMN CN(C(=O)c1cccnc1OCC(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000126806861 1415564950 /nfs/dbraw/zinc/56/49/50/1415564950.db2.gz ATFHFEXTLUILNW-KRWDZBQOSA-N 0 1 389.446 3.462 20 0 GGADMN Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126824955 1415573952 /nfs/dbraw/zinc/57/39/52/1415573952.db2.gz CXXMGNJTLSSDOH-VQTJNVASSA-N 0 1 391.471 3.015 20 0 GGADMN Cc1ccc(-c2nc(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)cs2)o1 ZINC000126827394 1415574123 /nfs/dbraw/zinc/57/41/23/1415574123.db2.gz OHAQUJNMMOKRLU-IRXDYDNUSA-N 0 1 397.500 3.077 20 0 GGADMN COC[C@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000126828786 1415575088 /nfs/dbraw/zinc/57/50/88/1415575088.db2.gz HZMXHUOUCGXRDJ-SFHVURJKSA-N 0 1 399.457 3.348 20 0 GGADMN COC[C@@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000126829002 1415575975 /nfs/dbraw/zinc/57/59/75/1415575975.db2.gz HZMXHUOUCGXRDJ-GOSISDBHSA-N 0 1 399.457 3.348 20 0 GGADMN Cc1cccc2c1CCN2C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000126840040 1415580362 /nfs/dbraw/zinc/58/03/62/1415580362.db2.gz ADEPROZZVSDKRI-UHFFFAOYSA-N 0 1 393.468 3.394 20 0 GGADMN O=C(NCc1ccc(Cl)nc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000126847397 1415583211 /nfs/dbraw/zinc/58/32/11/1415583211.db2.gz FGVJJRSEQYVUCQ-UHFFFAOYSA-N 0 1 376.863 3.338 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCO[C@@H](c3ccccc3)C2)N(C)C)c1 ZINC000126856742 1415586253 /nfs/dbraw/zinc/58/62/53/1415586253.db2.gz UDZGYFCGWLDDPY-LEWJYISDSA-N 0 1 383.492 3.081 20 0 GGADMN CC(C)(C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000126856817 1415586562 /nfs/dbraw/zinc/58/65/62/1415586562.db2.gz FDMXBSOIAQKMFD-MSOLQXFVSA-N 0 1 386.923 3.369 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000178042406 1428953213 /nfs/dbraw/zinc/95/32/13/1428953213.db2.gz CGPBZUXGZJJDFM-UHFFFAOYSA-N 0 1 378.432 3.430 20 0 GGADMN CC[C@H](CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(OC)cc1 ZINC000126864263 1415588650 /nfs/dbraw/zinc/58/86/50/1415588650.db2.gz FLDACFZGONSHKZ-HJNYFJLDSA-N 0 1 396.531 3.331 20 0 GGADMN CC1CCN(CC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000126866795 1415589539 /nfs/dbraw/zinc/58/95/39/1415589539.db2.gz QXKSXVHCUCEHFF-UHFFFAOYSA-N 0 1 375.513 3.424 20 0 GGADMN Cc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(Cl)cc1F ZINC000126868998 1415590586 /nfs/dbraw/zinc/59/05/86/1415590586.db2.gz RMFSTEZIPYBKAO-HZPDHXFCSA-N 0 1 376.859 3.153 20 0 GGADMN CC(C)c1noc(CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000126892115 1415596868 /nfs/dbraw/zinc/59/68/68/1415596868.db2.gz YUYXSDJFUIRHMA-KRWDZBQOSA-N 0 1 385.512 3.042 20 0 GGADMN COC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000126891195 1415597022 /nfs/dbraw/zinc/59/70/22/1415597022.db2.gz VXULCXIAABEZCD-DLBZAZTESA-N 0 1 385.430 3.004 20 0 GGADMN O=C(NCc1ncccc1F)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126894436 1415597600 /nfs/dbraw/zinc/59/76/00/1415597600.db2.gz ZTJCMWWNQOOVAG-HNNXBMFYSA-N 0 1 396.388 3.313 20 0 GGADMN O=C(NC[C@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1)c1ccccc1 ZINC000178045849 1428955003 /nfs/dbraw/zinc/95/50/03/1428955003.db2.gz NRFXGXGKYYHQJC-MRXNPFEDSA-N 0 1 384.451 3.334 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126896271 1415598776 /nfs/dbraw/zinc/59/87/76/1415598776.db2.gz SAFQWKDTIDZDST-QGTPRVQTSA-N 0 1 399.457 3.225 20 0 GGADMN Cc1cc(-n2c(C)cc(C(=O)NC3CCN(Cc4cccnc4)CC3)c2C)no1 ZINC000178047802 1428955555 /nfs/dbraw/zinc/95/55/55/1428955555.db2.gz UXWIKAAADVSUHQ-UHFFFAOYSA-N 0 1 393.491 3.180 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000126905057 1415601236 /nfs/dbraw/zinc/60/12/36/1415601236.db2.gz RUHCLQOMZYQEKL-ROUUACIJSA-N 0 1 386.540 3.363 20 0 GGADMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178051207 1428957088 /nfs/dbraw/zinc/95/70/88/1428957088.db2.gz FJNKWOGSSKBSOC-KYBDOYODSA-N 0 1 385.552 3.212 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178052112 1428957364 /nfs/dbraw/zinc/95/73/64/1428957364.db2.gz IWTMQFHROLSTCH-FQEVSTJZSA-N 0 1 393.531 3.095 20 0 GGADMN CC(C)c1nc(C2([NH2+]CCCOc3cccc(-c4nnn[n-]4)c3)CCCC2)no1 ZINC000820202435 1428957558 /nfs/dbraw/zinc/95/75/58/1428957558.db2.gz IEBMMJZJRUILJH-UHFFFAOYSA-N 0 1 397.483 3.201 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178054053 1428957869 /nfs/dbraw/zinc/95/78/69/1428957869.db2.gz ZAWCYCXGFXFNSQ-IBGZPJMESA-N 0 1 379.504 3.030 20 0 GGADMN CC(C)(C)Oc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000126938926 1415614235 /nfs/dbraw/zinc/61/42/35/1415614235.db2.gz RYLFPSJLBWSDIK-PMACEKPBSA-N 0 1 382.504 3.229 20 0 GGADMN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000178055952 1428959030 /nfs/dbraw/zinc/95/90/30/1428959030.db2.gz VTAJAQDBDWFNTH-AWEZNQCLSA-N 0 1 382.464 3.167 20 0 GGADMN CCCN(C(=O)c1c[nH]c2ccccc2c1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178055734 1428959070 /nfs/dbraw/zinc/95/90/70/1428959070.db2.gz VGNAVHIAFSSHEU-HNNXBMFYSA-N 0 1 399.491 3.390 20 0 GGADMN CN1CCO[C@@H]([C@H](NC(=O)c2cccc3nc[nH]c32)c2ccc(Cl)cc2)C1 ZINC000126966941 1415620171 /nfs/dbraw/zinc/62/01/71/1415620171.db2.gz QIWGUEFYOATGGT-QZTJIDSGSA-N 0 1 384.867 3.018 20 0 GGADMN O=C(CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)N(C1CC1)C1CCCC1 ZINC000178059671 1428962334 /nfs/dbraw/zinc/96/23/34/1428962334.db2.gz OGUYWHFOGLUEPR-SFHVURJKSA-N 0 1 383.536 3.062 20 0 GGADMN CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCc1ncccc1F ZINC000126972028 1415622266 /nfs/dbraw/zinc/62/22/66/1415622266.db2.gz WENPBBUTNOYXMG-FQEVSTJZSA-N 0 1 384.499 3.493 20 0 GGADMN Cc1[nH]c2ccc(C(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)cc2c1C ZINC000126978883 1415623415 /nfs/dbraw/zinc/62/34/15/1415623415.db2.gz UTCHRWAGAHNNKS-UXHICEINSA-N 0 1 377.488 3.150 20 0 GGADMN Cc1[nH]c2ccc(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cc2c1C ZINC000126979385 1415623804 /nfs/dbraw/zinc/62/38/04/1415623804.db2.gz UTCHRWAGAHNNKS-WOJBJXKFSA-N 0 1 377.488 3.150 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000126987791 1415627608 /nfs/dbraw/zinc/62/76/08/1415627608.db2.gz JIQSCSNCXLUUGA-GOSISDBHSA-N 0 1 385.512 3.313 20 0 GGADMN CCCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821062127 1428960909 /nfs/dbraw/zinc/96/09/09/1428960909.db2.gz UGECIFOOXMAGEW-UHFFFAOYSA-N 0 1 390.557 3.480 20 0 GGADMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000127002536 1415631918 /nfs/dbraw/zinc/63/19/18/1415631918.db2.gz JHONJDAFAGNLHB-LSDHHAIUSA-N 0 1 383.558 3.406 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000127011543 1415635930 /nfs/dbraw/zinc/63/59/30/1415635930.db2.gz ODSUPBVISYNJOJ-WMLDXEAASA-N 0 1 381.432 3.025 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127015744 1415636706 /nfs/dbraw/zinc/63/67/06/1415636706.db2.gz LOOOTAQMFAYBES-PMACEKPBSA-N 0 1 391.471 3.015 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000824529461 1428967529 /nfs/dbraw/zinc/96/75/29/1428967529.db2.gz GMKFKPUXRBABLR-NEPJUHHUSA-N 0 1 380.427 3.302 20 0 GGADMN O=C(Cn1ccc2ccc(Cl)cc21)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127027261 1415642074 /nfs/dbraw/zinc/64/20/74/1415642074.db2.gz BWBMLPAOMPKIJR-UXHICEINSA-N 0 1 397.906 3.046 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC000178068881 1428968122 /nfs/dbraw/zinc/96/81/22/1428968122.db2.gz XNAJDWCXXVYMLP-UHFFFAOYSA-N 0 1 382.464 3.137 20 0 GGADMN Cc1ccc2c(CC(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)coc2c1C ZINC000127041235 1415645857 /nfs/dbraw/zinc/64/58/57/1415645857.db2.gz GYXVWYDCLPOGDI-SFTDATJTSA-N 0 1 392.499 3.344 20 0 GGADMN Cc1ccc2c(CC(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)coc2c1C ZINC000127041490 1415646099 /nfs/dbraw/zinc/64/60/99/1415646099.db2.gz GYXVWYDCLPOGDI-RTWAWAEBSA-N 0 1 392.499 3.344 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C[C@@H]2CCOC2)C2CC2)N2CCCC2)c1 ZINC000127063498 1415651251 /nfs/dbraw/zinc/65/12/51/1415651251.db2.gz WPYDHIOVGLEFAO-LAUBAEHRSA-N 0 1 387.524 3.043 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C[C@H]2CCOC2)C2CC2)N2CCCC2)c1 ZINC000127064183 1415651417 /nfs/dbraw/zinc/65/14/17/1415651417.db2.gz WPYDHIOVGLEFAO-UTKZUKDTSA-N 0 1 387.524 3.043 20 0 GGADMN CC(C)(C)c1ccc(SCC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000178070989 1428969453 /nfs/dbraw/zinc/96/94/53/1428969453.db2.gz DAAJLGAFULBJSH-QGZVFWFLSA-N 0 1 376.566 3.257 20 0 GGADMN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000127072680 1415654763 /nfs/dbraw/zinc/65/47/63/1415654763.db2.gz IAPPNESIHIREPA-INIZCTEOSA-N 0 1 399.516 3.173 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)N1CCCCC1 ZINC000127073064 1415655266 /nfs/dbraw/zinc/65/52/66/1415655266.db2.gz RSKBTQPLZBSWCR-SCTDSRPQSA-N 0 1 375.513 3.041 20 0 GGADMN O=C(C[C@H]1CCCCO1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000127077350 1415655826 /nfs/dbraw/zinc/65/58/26/1415655826.db2.gz MLZAQJQCVDDFHR-OAQYLSRUSA-N 0 1 394.519 3.302 20 0 GGADMN O=C(C[C@@H]1CCCCO1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000127077104 1415656255 /nfs/dbraw/zinc/65/62/55/1415656255.db2.gz MLZAQJQCVDDFHR-NRFANRHFSA-N 0 1 394.519 3.302 20 0 GGADMN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)OC(C)(C)C ZINC000824569176 1428971001 /nfs/dbraw/zinc/97/10/01/1428971001.db2.gz GIFOYJSFJJGSPU-BLLLJJGKSA-N 0 1 392.479 3.206 20 0 GGADMN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(F)cc4[nH]cnc43)n2)o1 ZINC000127091369 1415659383 /nfs/dbraw/zinc/65/93/83/1415659383.db2.gz IAWXNFMMMFTKDX-UHFFFAOYSA-N 0 1 399.407 3.307 20 0 GGADMN COc1ccccc1C[C@H](C)CC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127098392 1415659764 /nfs/dbraw/zinc/65/97/64/1415659764.db2.gz VYLJEBYPRFLDIK-BWAGFHJFSA-N 0 1 396.531 3.016 20 0 GGADMN O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178077208 1428971564 /nfs/dbraw/zinc/97/15/64/1428971564.db2.gz QAWMOSRTDHITGC-MRXNPFEDSA-N 0 1 392.927 3.456 20 0 GGADMN Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127109054 1415662103 /nfs/dbraw/zinc/66/21/03/1415662103.db2.gz NAEOBQMJJVPWDO-RBUKOAKNSA-N 0 1 377.488 3.150 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000127120461 1415664437 /nfs/dbraw/zinc/66/44/37/1415664437.db2.gz FJGFUZSIHYYHKQ-ROUUACIJSA-N 0 1 379.863 3.115 20 0 GGADMN COc1ccc2cc([C@H](C)C(=O)N3CCN(C[C@H]4CCOC4)CC3)ccc2c1 ZINC000178079284 1428972377 /nfs/dbraw/zinc/97/23/77/1428972377.db2.gz GULLEBZTQKAFNK-ZWKOTPCHSA-N 0 1 382.504 3.133 20 0 GGADMN O=C(COc1ccccc1CNCc1ccccc1-n1cccn1)N1CCCC1 ZINC000127126372 1415666251 /nfs/dbraw/zinc/66/62/51/1415666251.db2.gz IXVJJTIJMBJQNN-UHFFFAOYSA-N 0 1 390.487 3.163 20 0 GGADMN O=C(Cc1c(Cl)cccc1Cl)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127130858 1415667029 /nfs/dbraw/zinc/66/70/29/1415667029.db2.gz PRXBKFDLGMNGFT-CVEARBPZSA-N 0 1 393.314 3.288 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccc(F)cc1 ZINC000127139445 1415668863 /nfs/dbraw/zinc/66/88/63/1415668863.db2.gz LQHZOIDOSDASHC-FQEVSTJZSA-N 0 1 399.514 3.313 20 0 GGADMN CCSCc1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000127144479 1415671305 /nfs/dbraw/zinc/67/13/05/1415671305.db2.gz HQQOJOAMRMGGOG-LEWJYISDSA-N 0 1 384.545 3.305 20 0 GGADMN CCc1ncc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cn1 ZINC000127154790 1415673696 /nfs/dbraw/zinc/67/36/96/1415673696.db2.gz KDQSOXXFLMFSAP-AWEZNQCLSA-N 0 1 391.357 3.087 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N(C)[C@H](C)c3ccncc3)CC2)c1 ZINC000127156550 1415674334 /nfs/dbraw/zinc/67/43/34/1415674334.db2.gz PLDYSBYNUQBBHT-HXUWFJFHSA-N 0 1 395.551 3.305 20 0 GGADMN Cc1cc2[nH]c(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cc2c(C)c1 ZINC000127164192 1415676534 /nfs/dbraw/zinc/67/65/34/1415676534.db2.gz ACOHVVWXLAVYTB-RTBURBONSA-N 0 1 377.488 3.150 20 0 GGADMN COc1ccc(CCCCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127177461 1415679313 /nfs/dbraw/zinc/67/93/13/1415679313.db2.gz PLHVYMXPBCDHKP-YADHBBJMSA-N 0 1 396.531 3.160 20 0 GGADMN COc1ccc(CCCCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127177228 1415679322 /nfs/dbraw/zinc/67/93/22/1415679322.db2.gz PLHVYMXPBCDHKP-VXKWHMMOSA-N 0 1 396.531 3.160 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2cccs2)CC1)c1ccc(F)cc1 ZINC000127198879 1415684581 /nfs/dbraw/zinc/68/45/81/1415684581.db2.gz OBAHBTNKBQIFNI-QGZVFWFLSA-N 0 1 376.501 3.022 20 0 GGADMN C[C@H](C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000127200952 1415685301 /nfs/dbraw/zinc/68/53/01/1415685301.db2.gz NCWUTZABHAZHRF-DBVUQKKJSA-N 0 1 378.472 3.288 20 0 GGADMN O=C(NC[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1)c1ccccc1 ZINC000178060971 1428962853 /nfs/dbraw/zinc/96/28/53/1428962853.db2.gz IJOLOLPPUPOGNG-GCJKJVERSA-N 0 1 391.515 3.148 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cncc(-c2ccccc2)c1 ZINC000127208628 1415687231 /nfs/dbraw/zinc/68/72/31/1415687231.db2.gz HRUNSUBAODVMHS-PKTZIBPZSA-N 0 1 387.483 3.114 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178061187 1428963026 /nfs/dbraw/zinc/96/30/26/1428963026.db2.gz SSBIXBVQYLYFJD-XCJLJZCSSA-N 0 1 385.552 3.212 20 0 GGADMN CC1CCC(N(C)C(=O)CN2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1 ZINC000178060864 1428963310 /nfs/dbraw/zinc/96/33/10/1428963310.db2.gz BXFMQYLEKIMKIN-OBXNSHGQSA-N 0 1 385.552 3.166 20 0 GGADMN Cc1cc(CCCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000127214786 1415689093 /nfs/dbraw/zinc/68/90/93/1415689093.db2.gz RBLMHKNMBIVCPP-RTWAWAEBSA-N 0 1 386.561 3.439 20 0 GGADMN O=C(CN1CCC[C@H](CNC(=O)c2ccccc2)C1)NCCC1=CCCCC1 ZINC000178061435 1428963814 /nfs/dbraw/zinc/96/38/14/1428963814.db2.gz YBCOGBFQRXAJIS-HXUWFJFHSA-N 0 1 383.536 3.135 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)CNc1ccccc1 ZINC000178061793 1428964060 /nfs/dbraw/zinc/96/40/60/1428964060.db2.gz CRRRMEOFYHOXBK-SFHVURJKSA-N 0 1 381.524 3.369 20 0 GGADMN CC(C)(C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000127224860 1415692812 /nfs/dbraw/zinc/69/28/12/1415692812.db2.gz SHZRXELTKSVATO-UXHICEINSA-N 0 1 386.923 3.369 20 0 GGADMN CC(C)(C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000127224636 1415693773 /nfs/dbraw/zinc/69/37/73/1415693773.db2.gz SHZRXELTKSVATO-PMACEKPBSA-N 0 1 386.923 3.369 20 0 GGADMN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000178064092 1428964598 /nfs/dbraw/zinc/96/45/98/1428964598.db2.gz FIASMSOBLSKCNW-UHFFFAOYSA-N 0 1 387.848 3.312 20 0 GGADMN CCOc1ccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1OC ZINC000736643301 1428965320 /nfs/dbraw/zinc/96/53/20/1428965320.db2.gz GSYVVXXCGMWRGU-UHFFFAOYSA-N 0 1 399.520 3.297 20 0 GGADMN O=C(CSc1ccc(Cl)cc1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127251463 1415704554 /nfs/dbraw/zinc/70/45/54/1415704554.db2.gz GUOHGNBXHHZAIW-QZTJIDSGSA-N 0 1 390.936 3.184 20 0 GGADMN O=C(CSc1ccc(Cl)cc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127251700 1415704639 /nfs/dbraw/zinc/70/46/39/1415704639.db2.gz GUOHGNBXHHZAIW-MSOLQXFVSA-N 0 1 390.936 3.184 20 0 GGADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)c2c1 ZINC000178091187 1428978013 /nfs/dbraw/zinc/97/80/13/1428978013.db2.gz UNDJIYHWPXDKNS-KRWDZBQOSA-N 0 1 379.504 3.215 20 0 GGADMN CCn1c(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc2ccccc21 ZINC000127266599 1415710039 /nfs/dbraw/zinc/71/00/39/1415710039.db2.gz NMHJKFPDDQFQEY-PMACEKPBSA-N 0 1 377.488 3.026 20 0 GGADMN C[C@]1(CNC(=O)C(=O)Nc2cccc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000127268755 1415710565 /nfs/dbraw/zinc/71/05/65/1415710565.db2.gz PIUKITOSVYIFDX-HSZRJFAPSA-N 0 1 390.487 3.277 20 0 GGADMN CCOC(=O)NCCCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000127270733 1415711081 /nfs/dbraw/zinc/71/10/81/1415711081.db2.gz QDKLSHJPGPCUCQ-UHFFFAOYSA-N 0 1 395.931 3.195 20 0 GGADMN O=C(Cc1cc(Cl)ccc1Cl)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127277020 1415715116 /nfs/dbraw/zinc/71/51/16/1415715116.db2.gz ROVUTEFCJOGPQS-MSOLQXFVSA-N 0 1 393.314 3.288 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000127282388 1415718617 /nfs/dbraw/zinc/71/86/17/1415718617.db2.gz CSBFQJVTKZUVLP-WOJBJXKFSA-N 0 1 391.471 3.015 20 0 GGADMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000178099141 1428980883 /nfs/dbraw/zinc/98/08/83/1428980883.db2.gz JUWGGLYRGWUJFO-AYOQOUSVSA-N 0 1 389.471 3.367 20 0 GGADMN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178100339 1428980937 /nfs/dbraw/zinc/98/09/37/1428980937.db2.gz XUWZJXJNXZIJAC-HNNXBMFYSA-N 0 1 389.883 3.098 20 0 GGADMN CCCn1cc(NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cn1 ZINC000178102528 1428982077 /nfs/dbraw/zinc/98/20/77/1428982077.db2.gz DSMCFJRRYBFLLY-HNNXBMFYSA-N 0 1 383.496 3.230 20 0 GGADMN CCS[C@H](C)c1noc(CN(C)C(=O)NC[C@H](c2cccs2)N(C)C)n1 ZINC000178102580 1428982341 /nfs/dbraw/zinc/98/23/41/1428982341.db2.gz FEFHFYABKGMNOW-CHWSQXEVSA-N 0 1 397.570 3.390 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nncn1Cc1ccccc1 ZINC000127307891 1415731006 /nfs/dbraw/zinc/73/10/06/1415731006.db2.gz SLUJNDJAVGCLBL-UHFFFAOYSA-N 0 1 396.394 3.287 20 0 GGADMN Cc1ccccc1[C@@H](C)[N@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822345704 1428982508 /nfs/dbraw/zinc/98/25/08/1428982508.db2.gz PPZQBKMKMLXKRF-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822345704 1428982510 /nfs/dbraw/zinc/98/25/10/1428982510.db2.gz PPZQBKMKMLXKRF-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000178104026 1428983014 /nfs/dbraw/zinc/98/30/14/1428983014.db2.gz MLZZFLXWIVFZKO-JKSUJKDBSA-N 0 1 384.442 3.380 20 0 GGADMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000178103190 1428983023 /nfs/dbraw/zinc/98/30/23/1428983023.db2.gz TURCZDUUIILGAH-USBFQFRLSA-N 0 1 376.522 3.304 20 0 GGADMN O=C(CCCCc1nc2ccccc2s1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178123199 1428990869 /nfs/dbraw/zinc/99/08/69/1428990869.db2.gz MMRKGXZYXSBVSR-KRWDZBQOSA-N 0 1 387.549 3.190 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccc(Cl)cc2[nH]1 ZINC000127325936 1415739022 /nfs/dbraw/zinc/73/90/22/1415739022.db2.gz NJUYRHWXMBASFI-MSOLQXFVSA-N 0 1 383.879 3.187 20 0 GGADMN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178106956 1428984387 /nfs/dbraw/zinc/98/43/87/1428984387.db2.gz XWEJMYHNGMVRMF-QGZVFWFLSA-N 0 1 391.471 3.289 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612009 1428984987 /nfs/dbraw/zinc/98/49/87/1428984987.db2.gz HSUCQCJSQFVPHF-SNVBAGLBSA-N 0 1 389.818 3.281 20 0 GGADMN CSCc1cc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1F ZINC000127353967 1415749104 /nfs/dbraw/zinc/74/91/04/1415749104.db2.gz XQYGFFCNEMZMNM-OALUTQOASA-N 0 1 388.508 3.054 20 0 GGADMN CCN(Cc1cccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1)C(C)=O ZINC000127354593 1415749601 /nfs/dbraw/zinc/74/96/01/1415749601.db2.gz CWOQTIFGUNXHTJ-UHFFFAOYSA-N 0 1 394.479 3.048 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000178113072 1428987634 /nfs/dbraw/zinc/98/76/34/1428987634.db2.gz CFBJRTWUOZHBIA-LJQANCHMSA-N 0 1 391.462 3.139 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)NCc3cc(F)cc(F)c3)n2)cc1 ZINC000127369428 1415756380 /nfs/dbraw/zinc/75/63/80/1415756380.db2.gz AUTYEGPYLMTQOI-UHFFFAOYSA-N 0 1 390.415 3.167 20 0 GGADMN C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127373827 1415756893 /nfs/dbraw/zinc/75/68/93/1415756893.db2.gz SABBRCCKODKFPZ-HBGVWJBISA-N 0 1 386.923 3.270 20 0 GGADMN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178118921 1428989606 /nfs/dbraw/zinc/98/96/06/1428989606.db2.gz OAUOHJBFCNGLGI-LJQANCHMSA-N 0 1 398.478 3.199 20 0 GGADMN CCc1c(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)[nH]nc1-c1ccncc1 ZINC000127395537 1415765301 /nfs/dbraw/zinc/76/53/01/1415765301.db2.gz ACTXGKCDBRGCLB-UHFFFAOYSA-N 0 1 385.468 3.372 20 0 GGADMN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178118832 1428989675 /nfs/dbraw/zinc/98/96/75/1428989675.db2.gz OAUOHJBFCNGLGI-IBGZPJMESA-N 0 1 398.478 3.199 20 0 GGADMN C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCN(C[C@@H]5CCOC5)CC4)cc3c2C1 ZINC000178120862 1428989866 /nfs/dbraw/zinc/98/98/66/1428989866.db2.gz XPRXAPLLKIPZRE-IRXDYDNUSA-N 0 1 381.520 3.087 20 0 GGADMN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(C[C@@H]5CCOC5)CC4)cc3c2C1 ZINC000178120850 1428989882 /nfs/dbraw/zinc/98/98/82/1428989882.db2.gz XPRXAPLLKIPZRE-SJORKVTESA-N 0 1 381.520 3.087 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H]3CCCO[C@@H]3C(C)C)n2)cc1 ZINC000127433909 1415777729 /nfs/dbraw/zinc/77/77/29/1415777729.db2.gz FDYHRMFXYNDNDR-FUHWJXTLSA-N 0 1 388.537 3.440 20 0 GGADMN CN1CCN(c2ccc(NC(=O)/C=C/c3nc4ccccc4s3)cn2)CC1 ZINC000127437790 1415778834 /nfs/dbraw/zinc/77/88/34/1415778834.db2.gz QJAGIJMTJAZRID-CMDGGOBGSA-N 0 1 379.489 3.095 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@H](C)C2CCOCC2)N2CCCCC2)cc1 ZINC000127443850 1415780377 /nfs/dbraw/zinc/78/03/77/1415780377.db2.gz VBVNSJIDMOGAAE-DYESRHJHSA-N 0 1 389.540 3.337 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H](C)C2CCOCC2)N2CCCCC2)cc1 ZINC000127443200 1415780860 /nfs/dbraw/zinc/78/08/60/1415780860.db2.gz VBVNSJIDMOGAAE-UWJYYQICSA-N 0 1 389.540 3.337 20 0 GGADMN COc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccc1OCC(=O)N1CCCC1 ZINC000127450719 1415783987 /nfs/dbraw/zinc/78/39/87/1415783987.db2.gz ZRQUYDDLQRJRNW-IBGZPJMESA-N 0 1 383.492 3.362 20 0 GGADMN C[C@H](CC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(F)cc1F ZINC000127454621 1415785249 /nfs/dbraw/zinc/78/52/49/1415785249.db2.gz LCKDBRUOAKMOTR-LZQZEXGQSA-N 0 1 388.458 3.210 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1C1CC1 ZINC000127456076 1415786489 /nfs/dbraw/zinc/78/64/89/1415786489.db2.gz KOSXDNFZOBDIQV-DBVUQKKJSA-N 0 1 396.535 3.097 20 0 GGADMN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cn[nH]c1-c1cccc(Cl)c1 ZINC000178141518 1428996829 /nfs/dbraw/zinc/99/68/29/1428996829.db2.gz IWIKZOGPFGHTSI-UHFFFAOYSA-N 0 1 387.848 3.312 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCC(C(=O)N2CCCC2)CC1 ZINC000127504281 1415802102 /nfs/dbraw/zinc/80/21/02/1415802102.db2.gz XHLZQWMRNDSNPV-MSOLQXFVSA-N 0 1 383.536 3.077 20 0 GGADMN CC[C@@H](C)CN(C)c1ccc(F)cc1CN1CCC(N2CCNC2=O)CC1 ZINC000127562876 1415810556 /nfs/dbraw/zinc/81/05/56/1415810556.db2.gz VJNOASYISSBUOP-MRXNPFEDSA-N 0 1 376.520 3.298 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CC[C@H](CO)CC2)CC1 ZINC000127565782 1415810991 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CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000127613800 1415820272 /nfs/dbraw/zinc/82/02/72/1415820272.db2.gz ZRGHJILFWBQCME-HKUYNNGSSA-N 0 1 394.519 3.229 20 0 GGADMN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000127615074 1415820307 /nfs/dbraw/zinc/82/03/07/1415820307.db2.gz UZJPCLQSSLEZHL-YJBOKZPZSA-N 0 1 395.906 3.089 20 0 GGADMN O=C(COc1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1)N1CCCC1 ZINC000127621411 1415821416 /nfs/dbraw/zinc/82/14/16/1415821416.db2.gz AAGDORGNCVNMIP-UHFFFAOYSA-N 0 1 396.472 3.392 20 0 GGADMN Cc1ccc2c([n-]cc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)c2=O)[nH+]1 ZINC000127626630 1415821853 /nfs/dbraw/zinc/82/18/53/1415821853.db2.gz QZPJYJWHNBAXHG-UHFFFAOYSA-N 0 1 380.423 3.500 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCN(C)CC1 ZINC000127634488 1415823799 /nfs/dbraw/zinc/82/37/99/1415823799.db2.gz IDRVBFSTVFPLNE-AVRDEDQJSA-N 0 1 386.584 3.198 20 0 GGADMN CCS(=O)(=O)CCN(C)C(=O)Nc1ccccc1CN(C)C1CCCCC1 ZINC000127641086 1415824826 /nfs/dbraw/zinc/82/48/26/1415824826.db2.gz OEMCCJISUVWBBX-UHFFFAOYSA-N 0 1 395.569 3.350 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000127667047 1415829188 /nfs/dbraw/zinc/82/91/88/1415829188.db2.gz VFNRSYXEMDJZRR-QGZVFWFLSA-N 0 1 399.564 3.251 20 0 GGADMN O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000127688529 1415833622 /nfs/dbraw/zinc/83/36/22/1415833622.db2.gz FYZDQOMQYKNHGP-CYBMUJFWSA-N 0 1 393.896 3.079 20 0 GGADMN Fc1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1-n1ccnc1 ZINC000826372019 1429003921 /nfs/dbraw/zinc/00/39/21/1429003921.db2.gz CXFYPMKKWFDKOE-LJQANCHMSA-N 0 1 389.438 3.359 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)ncn1 ZINC000127702055 1415835723 /nfs/dbraw/zinc/83/57/23/1415835723.db2.gz LPZHRQFVWLNAGZ-UHFFFAOYSA-N 0 1 381.480 3.242 20 0 GGADMN CCC1(CO)CCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 ZINC000127728124 1415840184 /nfs/dbraw/zinc/84/01/84/1415840184.db2.gz KJCXXLBTZSTUNT-UHFFFAOYSA-N 0 1 396.531 3.366 20 0 GGADMN Cc1nc(COc2cccc(C(=O)O[C@H]3CCN(Cc4ccccc4)C3)c2)no1 ZINC000127738077 1415841788 /nfs/dbraw/zinc/84/17/88/1415841788.db2.gz WOXOGWHSMWGVMJ-FQEVSTJZSA-N 0 1 393.443 3.388 20 0 GGADMN CCCN1CCCC[C@@H]1C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000127807348 1415854128 /nfs/dbraw/zinc/85/41/28/1415854128.db2.gz YFNWZBWOHRLNID-GOSISDBHSA-N 0 1 395.569 3.108 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cccc(Oc3ccccn3)c2)C[C@@H]1C ZINC000127821824 1415857007 /nfs/dbraw/zinc/85/70/07/1415857007.db2.gz ODEKHMFELMEWEV-CALCHBBNSA-N 0 1 384.480 3.447 20 0 GGADMN Cc1nc(CC(C)C)c(NC(=O)N2CCN(CC3CCOCC3)CC2)s1 ZINC000178181991 1429010775 /nfs/dbraw/zinc/01/07/75/1429010775.db2.gz FIFBUOSUSIKLDS-UHFFFAOYSA-N 0 1 380.558 3.226 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C2CC2)CCN1CCOC ZINC000127894410 1415871245 /nfs/dbraw/zinc/87/12/45/1415871245.db2.gz TUHYSFALIVHCHD-FUHWJXTLSA-N 0 1 376.545 3.304 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C2CC2)CCN1CCOC ZINC000127894614 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3.062 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H](C)c3nnc4n3CCCC4)[nH]c2c1 ZINC000178193766 1429015259 /nfs/dbraw/zinc/01/52/59/1429015259.db2.gz PHGLEICBJWSQPD-RHSMWYFYSA-N 0 1 393.495 3.407 20 0 GGADMN CCC1(CO)CCN([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000128010547 1415892655 /nfs/dbraw/zinc/89/26/55/1415892655.db2.gz RWHNQRMXSSKGCP-OAHLLOKOSA-N 0 1 375.538 3.128 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cccc(C)c1C)c1ccccc1OCC(=O)N(C)C ZINC000178196147 1429015651 /nfs/dbraw/zinc/01/56/51/1429015651.db2.gz UTTDHXYOCVIOFC-LJQANCHMSA-N 0 1 397.519 3.450 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H](C)c3nnc4n3CCCC4)[nH]c2c1 ZINC000178193748 1429015705 /nfs/dbraw/zinc/01/57/05/1429015705.db2.gz PHGLEICBJWSQPD-PBHICJAKSA-N 0 1 393.495 3.407 20 0 GGADMN CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H](C)N3CCN(C)CC3)cc2)cc1 ZINC000128031743 1415897055 /nfs/dbraw/zinc/89/70/55/1415897055.db2.gz ZBWQJXNWQGUAPB-KRWDZBQOSA-N 0 1 395.503 3.047 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N2CCOC2=O)cc1 ZINC000178201048 1429016787 /nfs/dbraw/zinc/01/67/87/1429016787.db2.gz RFIOALVIGWYAPZ-NSHDSACASA-N 0 1 393.365 3.350 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000128052266 1415901176 /nfs/dbraw/zinc/90/11/76/1415901176.db2.gz GRYVBLYUEGQONP-HNNXBMFYSA-N 0 1 378.904 3.418 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)CCCOc1ccc(Cl)cc1 ZINC000128052266 1415901179 /nfs/dbraw/zinc/90/11/79/1415901179.db2.gz GRYVBLYUEGQONP-HNNXBMFYSA-N 0 1 378.904 3.418 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N2CCOC2=O)cc1 ZINC000178201062 1429017113 /nfs/dbraw/zinc/01/71/13/1429017113.db2.gz RFIOALVIGWYAPZ-LLVKDONJSA-N 0 1 393.365 3.350 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000128068122 1415904599 /nfs/dbraw/zinc/90/45/99/1415904599.db2.gz YCHWXBJIXOYGMN-ZDUSSCGKSA-N 0 1 399.838 3.209 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CCN1CCOC ZINC000128095560 1415911445 /nfs/dbraw/zinc/91/14/45/1415911445.db2.gz XHYNCFDXOIKUQL-NRFANRHFSA-N 0 1 384.524 3.062 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CN2CCC(N(C)c3ccccc3)CC2)c1 ZINC000178237910 1429027275 /nfs/dbraw/zinc/02/72/75/1429027275.db2.gz IIRDVKPBNLHKOC-JOCHJYFZSA-N 0 1 382.504 3.230 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cc1-c1ncco1 ZINC000128109224 1415914681 /nfs/dbraw/zinc/91/46/81/1415914681.db2.gz KFPKZFGOLVMHMA-CYBMUJFWSA-N 0 1 389.415 3.283 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1-c1ncco1 ZINC000128109443 1415914979 /nfs/dbraw/zinc/91/49/79/1415914979.db2.gz KFPKZFGOLVMHMA-ZDUSSCGKSA-N 0 1 389.415 3.283 20 0 GGADMN C[C@H]1CN(CCC2CCN(C(=O)C(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000178239387 1429028382 /nfs/dbraw/zinc/02/83/82/1429028382.db2.gz NOGGSGWPEOVJTM-ROUUACIJSA-N 0 1 398.547 3.096 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(CS(C)(=O)=O)cc3)[nH]c2c1 ZINC000128130273 1415920067 /nfs/dbraw/zinc/92/00/67/1415920067.db2.gz QDPHKHIPMZMDDX-LJQANCHMSA-N 0 1 397.500 3.393 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)[nH]c2c1 ZINC000128132944 1415921597 /nfs/dbraw/zinc/92/15/97/1415921597.db2.gz WDGXYVZBAGCJRS-KXBFYZLASA-N 0 1 392.459 3.177 20 0 GGADMN CCC1(CO)CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000128136135 1415922132 /nfs/dbraw/zinc/92/21/32/1415922132.db2.gz PZCNBTAMINKVKQ-UHFFFAOYSA-N 0 1 381.520 3.268 20 0 GGADMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)NC[C@@H]1Cc2ccccc2O1 ZINC000128145921 1415924085 /nfs/dbraw/zinc/92/40/85/1415924085.db2.gz AGKPRKLFHRUETJ-DVQDXYAYSA-N 0 1 392.484 3.187 20 0 GGADMN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(OCCO)cc1C(F)(F)F ZINC000128183576 1415933222 /nfs/dbraw/zinc/93/32/22/1415933222.db2.gz BDUNCIWXKQSTAA-UHFFFAOYSA-N 0 1 393.358 3.325 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](CCO)c3ccccc3)n2)cc1 ZINC000128193469 1415936201 /nfs/dbraw/zinc/93/62/01/1415936201.db2.gz ZIHKUIZOXQPHCH-QGZVFWFLSA-N 0 1 382.489 3.112 20 0 GGADMN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000128200618 1415937418 /nfs/dbraw/zinc/93/74/18/1415937418.db2.gz FEWSQIUZWRJCMT-INIZCTEOSA-N 0 1 392.912 3.162 20 0 GGADMN CCC1(CO)CCN(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)CC1 ZINC000128203440 1415938023 /nfs/dbraw/zinc/93/80/23/1415938023.db2.gz QKZPIZTZRVNAMU-UHFFFAOYSA-N 0 1 399.560 3.492 20 0 GGADMN CCCN(C(=O)c1cccs1)C1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000178218875 1429021148 /nfs/dbraw/zinc/02/11/48/1429021148.db2.gz CWSTWQXVSSQRHR-SFHVURJKSA-N 0 1 391.581 3.464 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1CC(F)(F)F ZINC000128218996 1415942095 /nfs/dbraw/zinc/94/20/95/1415942095.db2.gz NLLMCBGQHQAOAG-CABCVRRESA-N 0 1 379.467 3.202 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128235143 1415945448 /nfs/dbraw/zinc/94/54/48/1415945448.db2.gz OIWFOVNTERFIJT-ROUUACIJSA-N 0 1 391.895 3.379 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000128245071 1415947312 /nfs/dbraw/zinc/94/73/12/1415947312.db2.gz BNJGZTVOXZPDKQ-HNNXBMFYSA-N 0 1 394.516 3.019 20 0 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20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545843 1429040769 /nfs/dbraw/zinc/04/07/69/1429040769.db2.gz DWJZGTZMRZRLGJ-QAPCUYQASA-N 0 1 380.471 3.321 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824576511 1429041308 /nfs/dbraw/zinc/04/13/08/1429041308.db2.gz BKKXKROCWLLRPY-KBPBESRZSA-N 0 1 384.434 3.322 20 0 GGADMN CCN(C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCN(c2ccccc2)C1=O ZINC000128623533 1416027679 /nfs/dbraw/zinc/02/76/79/1416027679.db2.gz MMFPGJMABKAEHP-WIYYLYMNSA-N 0 1 393.487 3.035 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CCN2C(C)=O)c1ccco1 ZINC000128624690 1416028398 /nfs/dbraw/zinc/02/83/98/1416028398.db2.gz IMGXOIWRBZAFSC-IBGZPJMESA-N 0 1 384.480 3.393 20 0 GGADMN CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2CC)c1 ZINC000128638246 1416030873 /nfs/dbraw/zinc/03/08/73/1416030873.db2.gz SVYHJVBRDKKFNG-QFBILLFUSA-N 0 1 395.569 3.108 20 0 GGADMN O=C(NCc1cccc2c1OCCCO2)NC[C@H](c1ccco1)N1CCCCC1 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COc1ccc([C@H](CNC(=O)Cc2n[nH]c3ccccc23)N2CCCCC2)cc1 ZINC000129118654 1416149807 /nfs/dbraw/zinc/14/98/07/1416149807.db2.gz MQNJYUGEDDAQKV-QFIPXVFZSA-N 0 1 392.503 3.457 20 0 GGADMN Fc1ccc(OCc2nc(CN3CC[C@H](CN4CCOCC4)C3)cs2)cc1 ZINC000129124566 1416150908 /nfs/dbraw/zinc/15/09/08/1416150908.db2.gz LIQHHIMDFCRYJC-MRXNPFEDSA-N 0 1 391.512 3.015 20 0 GGADMN NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(F)c(F)cc2F)C1 ZINC000129144612 1416155632 /nfs/dbraw/zinc/15/56/32/1416155632.db2.gz KMSGTPRZWPXBMF-ZDUSSCGKSA-N 0 1 391.393 3.054 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)C(C#N)C(=O)NC3CC3)cc12 ZINC000129146199 1416156176 /nfs/dbraw/zinc/15/61/76/1416156176.db2.gz BSFCQBPCZNXVCC-MRXNPFEDSA-N 0 1 396.447 3.195 20 0 GGADMN COc1cccc(CN(C)C(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000178396859 1429068645 /nfs/dbraw/zinc/06/86/45/1429068645.db2.gz ZOIYWNZBMIONJY-HSZRJFAPSA-N 0 1 396.531 3.416 20 0 GGADMN O=C(CN(CCCO)[C@H]1CCCc2ccccc21)N1CCc2ccccc2C1 ZINC000178396756 1429068667 /nfs/dbraw/zinc/06/86/67/1429068667.db2.gz UMODTIBKGWICQW-QHCPKHFHSA-N 0 1 378.516 3.333 20 0 GGADMN COc1cccc(CN(C)C(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000178396876 1429068702 /nfs/dbraw/zinc/06/87/02/1429068702.db2.gz ZOIYWNZBMIONJY-QHCPKHFHSA-N 0 1 396.531 3.416 20 0 GGADMN O=C(Cc1ccc2c(c1)OCO2)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000129166784 1416160895 /nfs/dbraw/zinc/16/08/95/1416160895.db2.gz QJZLEJUQIVPWKQ-UHFFFAOYSA-N 0 1 386.879 3.392 20 0 GGADMN C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736758997 1429069767 /nfs/dbraw/zinc/06/97/67/1429069767.db2.gz MIXNSBSDCMGXCE-CQSZACIVSA-N 0 1 379.896 3.008 20 0 GGADMN CCCN1CCCC[C@@H]1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000129202470 1416169701 /nfs/dbraw/zinc/16/97/01/1416169701.db2.gz XKRYZESJGJZNGF-LJQANCHMSA-N 0 1 389.565 3.008 20 0 GGADMN Cc1c(NC(=O)c2cc(-c3ccco3)n[nH]2)cccc1C(=O)N1CCSCC1 ZINC000129207362 1416170871 /nfs/dbraw/zinc/17/08/71/1416170871.db2.gz NOZYCRJWWYSJRA-UHFFFAOYSA-N 0 1 396.472 3.419 20 0 GGADMN COC(=O)c1cc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c(F)cc1F ZINC000129211110 1416171324 /nfs/dbraw/zinc/17/13/24/1416171324.db2.gz PGEQHQRSAHIZPF-UHFFFAOYSA-N 0 1 395.381 3.274 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824938203 1429071925 /nfs/dbraw/zinc/07/19/25/1429071925.db2.gz UQJLMVJULPRHSW-VXGBXAGGSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938203 1429071928 /nfs/dbraw/zinc/07/19/28/1429071928.db2.gz UQJLMVJULPRHSW-VXGBXAGGSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938203 1429071939 /nfs/dbraw/zinc/07/19/39/1429071939.db2.gz UQJLMVJULPRHSW-VXGBXAGGSA-N 0 1 381.937 3.067 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(CC(=O)NC(C)C)cc3)[nH]n2)cc1 ZINC000129223404 1416173880 /nfs/dbraw/zinc/17/38/80/1416173880.db2.gz RZSYKHQPYBWMQR-UHFFFAOYSA-N 0 1 392.459 3.405 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000178407077 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3.278 20 0 GGADMN C[C@H](NCc1ccccc1OCC(F)(F)F)c1ccc(-n2cnnn2)cc1 ZINC000129353060 1416195811 /nfs/dbraw/zinc/19/58/11/1416195811.db2.gz ZWFNNWLVSJVIIK-ZDUSSCGKSA-N 0 1 377.370 3.454 20 0 GGADMN C[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccc(-n2cnnn2)cc1 ZINC000129353294 1416195845 /nfs/dbraw/zinc/19/58/45/1416195845.db2.gz ZWFNNWLVSJVIIK-CYBMUJFWSA-N 0 1 377.370 3.454 20 0 GGADMN CC(C)[C@H]1CCCCN1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000129353212 1416195991 /nfs/dbraw/zinc/19/59/91/1416195991.db2.gz VUOXLNMYAXKQBO-GOSISDBHSA-N 0 1 386.475 3.128 20 0 GGADMN CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000736322966 1429076006 /nfs/dbraw/zinc/07/60/06/1429076006.db2.gz SIEIWXLBEDKROQ-ZDUSSCGKSA-N 0 1 387.532 3.459 20 0 GGADMN CC(C)OCc1ccccc1CNC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129376429 1416199266 /nfs/dbraw/zinc/19/92/66/1416199266.db2.gz VUUYFKUCDFKQMH-RXVVDRJESA-N 0 1 384.524 3.007 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)cc1C(F)(F)F ZINC000129387526 1416200875 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3.325 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CSc2ccc(O)cc2)N2CCCC2)c1 ZINC000129458457 1416212740 /nfs/dbraw/zinc/21/27/40/1416212740.db2.gz ZOFBAZMZDPEAID-HXUWFJFHSA-N 0 1 386.517 3.446 20 0 GGADMN CCOc1cccc(CNC(=O)c2c[nH]c3ccccc3c2=O)c1OC(F)F ZINC000129460146 1416213390 /nfs/dbraw/zinc/21/33/90/1416213390.db2.gz IIJUAWBSLRSUIN-UHFFFAOYSA-N 0 1 388.370 3.458 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c2ccccc2n1 ZINC000178438373 1429077263 /nfs/dbraw/zinc/07/72/63/1429077263.db2.gz UJDXQXFYAPNURU-XXBNENTESA-N 0 1 389.499 3.156 20 0 GGADMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000129480547 1416216504 /nfs/dbraw/zinc/21/65/04/1416216504.db2.gz WTGZNYBGMHRMBI-GOSISDBHSA-N 0 1 380.835 3.043 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000129525896 1416223041 /nfs/dbraw/zinc/22/30/41/1416223041.db2.gz KVMKNPJBTYDBNI-KRWDZBQOSA-N 0 1 380.419 3.489 20 0 GGADMN CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)s2)cc1 ZINC000129529089 1416223434 /nfs/dbraw/zinc/22/34/34/1416223434.db2.gz KNHKVZGWTIUFHF-CQSZACIVSA-N 0 1 398.492 3.050 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCCCN(C)Cc1ccccc1 ZINC000129541746 1416225056 /nfs/dbraw/zinc/22/50/56/1416225056.db2.gz VBYWMFDFHUGPTN-UHFFFAOYSA-N 0 1 375.490 3.077 20 0 GGADMN CC(=O)c1c[nH]c(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000129554830 1416227256 /nfs/dbraw/zinc/22/72/56/1416227256.db2.gz CAXXMNLVQVJDIM-UHFFFAOYSA-N 0 1 381.398 3.440 20 0 GGADMN CCCOCc1ccccc1CNC(=O)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129556731 1416227792 /nfs/dbraw/zinc/22/77/92/1416227792.db2.gz SHFIDKCTAHGNOE-GHTZIAJQSA-N 0 1 384.524 3.009 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(Cc4cccc(F)c4)CC3)[nH]c21 ZINC000178441393 1429078390 /nfs/dbraw/zinc/07/83/90/1429078390.db2.gz KJYDSOGFVIDCOU-UHFFFAOYSA-N 0 1 380.467 3.287 20 0 GGADMN COc1ccc(OC(F)F)c(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000129568204 1416229572 /nfs/dbraw/zinc/22/95/72/1416229572.db2.gz CBTKSODHYHXZNI-UHFFFAOYSA-N 0 1 384.423 3.270 20 0 GGADMN Cc1ccc(OCc2nc(CN3CC[C@@H](CN4CCOCC4)C3)cs2)cc1 ZINC000129596122 1416234586 /nfs/dbraw/zinc/23/45/86/1416234586.db2.gz WDQYHNMSRUFHBA-SFHVURJKSA-N 0 1 387.549 3.185 20 0 GGADMN C[C@@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC000129598030 1416234596 /nfs/dbraw/zinc/23/45/96/1416234596.db2.gz RMQBQFCWTXKKQA-MRXNPFEDSA-N 0 1 392.459 3.144 20 0 GGADMN C[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccc([S@](C)=O)cc1 ZINC000129602965 1416235310 /nfs/dbraw/zinc/23/53/10/1416235310.db2.gz XWQXDDBCXYEGOA-DEXQXJORSA-N 0 1 396.516 3.110 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3C)[nH]n2)cc1 ZINC000129608617 1416236239 /nfs/dbraw/zinc/23/62/39/1416236239.db2.gz NNUZERHRTHUVBA-UHFFFAOYSA-N 0 1 392.459 3.483 20 0 GGADMN CC(C)C[C@@H]1CCCN1Cn1nc(N2CCOCC2)n(CC(C)C)c1=S ZINC000129611623 1416236828 /nfs/dbraw/zinc/23/68/28/1416236828.db2.gz WJTWHADYKRVBKE-KRWDZBQOSA-N 0 1 381.590 3.375 20 0 GGADMN CCOC(=O)c1ccc(N2CCN(Cc3ccc4ncccc4c3)CC2)nc1 ZINC000129619057 1416237715 /nfs/dbraw/zinc/23/77/15/1416237715.db2.gz HNDIYMVZGMGPLB-UHFFFAOYSA-N 0 1 376.460 3.129 20 0 GGADMN C[C@H]1CN(Cc2ccccc2CNC(=O)c2cc(F)cc3nc[nH]c32)C[C@H](C)O1 ZINC000129625036 1416239390 /nfs/dbraw/zinc/23/93/90/1416239390.db2.gz JWUKFBXOYNELFY-GJZGRUSLSA-N 0 1 396.466 3.241 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000129628450 1416239732 /nfs/dbraw/zinc/23/97/32/1416239732.db2.gz MSJJPWQQCWZOBD-NQIIRXRSSA-N 0 1 384.524 3.085 20 0 GGADMN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178445319 1429079324 /nfs/dbraw/zinc/07/93/24/1429079324.db2.gz IEVQUDJDACTMKA-CQSZACIVSA-N 0 1 390.480 3.207 20 0 GGADMN CC[C@@H](SC)C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000129680480 1416247616 /nfs/dbraw/zinc/24/76/16/1416247616.db2.gz DDEJGNVDVPIULZ-GOSISDBHSA-N 0 1 379.570 3.271 20 0 GGADMN CN(Cc1ccc(C(F)(F)F)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000129689269 1416249077 /nfs/dbraw/zinc/24/90/77/1416249077.db2.gz UFMOJVLLMUIBMH-UHFFFAOYSA-N 0 1 383.395 3.159 20 0 GGADMN COc1ccc(C(=O)N2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)cc1 ZINC000129695648 1416249785 /nfs/dbraw/zinc/24/97/85/1416249785.db2.gz MHPPNJRRNCDQRG-UHFFFAOYSA-N 0 1 396.491 3.064 20 0 GGADMN CCn1cnnc1-c1ccccc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000129698034 1416250358 /nfs/dbraw/zinc/25/03/58/1416250358.db2.gz PPTQUIOSEURWKR-UHFFFAOYSA-N 0 1 396.470 3.487 20 0 GGADMN CCC(CC)NC(=O)[C@@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129696516 1416250394 /nfs/dbraw/zinc/25/03/94/1416250394.db2.gz XYRRBHIOPYFKAW-ABAIWWIYSA-N 0 1 383.418 3.196 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129697838 1416250433 /nfs/dbraw/zinc/25/04/33/1416250433.db2.gz QZJRCXNTMHHUPF-ZOWXZIJZSA-N 0 1 383.418 3.196 20 0 GGADMN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C)c1nnc2ccccn21 ZINC000178452398 1429080523 /nfs/dbraw/zinc/08/05/23/1429080523.db2.gz SVRYMCWWBMJXMW-CABCVRRESA-N 0 1 385.899 3.471 20 0 GGADMN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C)c1nnc2ccccn21 ZINC000178452382 1429080637 /nfs/dbraw/zinc/08/06/37/1429080637.db2.gz SVRYMCWWBMJXMW-GJZGRUSLSA-N 0 1 385.899 3.471 20 0 GGADMN CC(C)CN(Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S)C1CC1 ZINC000129737507 1416255917 /nfs/dbraw/zinc/25/59/17/1416255917.db2.gz RWVTYIZUUAULRS-UHFFFAOYSA-N 0 1 383.539 3.292 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[C@@H]1c1ccccc1 ZINC000129752632 1416258162 /nfs/dbraw/zinc/25/81/62/1416258162.db2.gz TXYJMTRUFKICTK-UTKZUKDTSA-N 0 1 379.504 3.453 20 0 GGADMN CCOC(=O)[C@H](CC(C)C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129761123 1416259633 /nfs/dbraw/zinc/25/96/33/1416259633.db2.gz DYLHPOLZQVOUBJ-LSDHHAIUSA-N 0 1 384.402 3.480 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000129788403 1416264056 /nfs/dbraw/zinc/26/40/56/1416264056.db2.gz UCHKPIWIZZNLLS-VKJFTORMSA-N 0 1 378.476 3.309 20 0 GGADMN CCOc1cccc(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000129790654 1416264340 /nfs/dbraw/zinc/26/43/40/1416264340.db2.gz NVISTKCUXOELDK-UHFFFAOYSA-N 0 1 392.496 3.167 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821087421 1429085103 /nfs/dbraw/zinc/08/51/03/1429085103.db2.gz BCYWKQVFCQODAU-AWEZNQCLSA-N 0 1 383.475 3.031 20 0 GGADMN CCC[N@H+](C)C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821087421 1429085108 /nfs/dbraw/zinc/08/51/08/1429085108.db2.gz BCYWKQVFCQODAU-AWEZNQCLSA-N 0 1 383.475 3.031 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821087421 1429085111 /nfs/dbraw/zinc/08/51/11/1429085111.db2.gz BCYWKQVFCQODAU-AWEZNQCLSA-N 0 1 383.475 3.031 20 0 GGADMN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000129821917 1416269007 /nfs/dbraw/zinc/26/90/07/1416269007.db2.gz RXPCMPLXZXZIDQ-BHDDXSALSA-N 0 1 379.479 3.428 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000129830267 1416270351 /nfs/dbraw/zinc/27/03/51/1416270351.db2.gz KGGJRDFRLDJWPF-IBGZPJMESA-N 0 1 399.441 3.171 20 0 GGADMN O=[S@@](CCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000129830415 1416270409 /nfs/dbraw/zinc/27/04/09/1416270409.db2.gz LMQUATONBLXLRX-CHAGWJKLSA-N 0 1 394.422 3.310 20 0 GGADMN CN(CCNC(=O)NCC1([C@H](O)c2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000129837039 1416271892 /nfs/dbraw/zinc/27/18/92/1416271892.db2.gz PDILKOBXBJCYKX-HXUWFJFHSA-N 0 1 385.483 3.071 20 0 GGADMN C[C@@H](C[C@H](O)c1cccs1)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000129837910 1416272009 /nfs/dbraw/zinc/27/20/09/1416272009.db2.gz IQKQVKPMYOLPNA-YOEHRIQHSA-N 0 1 379.501 3.130 20 0 GGADMN COc1ccc(CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1OCC(N)=O ZINC000129848582 1416273657 /nfs/dbraw/zinc/27/36/57/1416273657.db2.gz OHGKBWWSPPDPOV-RDTXWAMCSA-N 0 1 384.476 3.440 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)cc1F ZINC000129849556 1416274024 /nfs/dbraw/zinc/27/40/24/1416274024.db2.gz MPMHSLJNXXYOBA-AREMUKBSSA-N 0 1 381.448 3.086 20 0 GGADMN COCCCN1Cc2cccc(N[C@@H]3CCN(c4ccccc4OC)C3=O)c2C1 ZINC000129855755 1416275049 /nfs/dbraw/zinc/27/50/49/1416275049.db2.gz IVPFFZIPJSLJQM-HXUWFJFHSA-N 0 1 395.503 3.265 20 0 GGADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccccc1S(=O)(=O)N(C)C ZINC000129858704 1416275511 /nfs/dbraw/zinc/27/55/11/1416275511.db2.gz HHKYKXBCTBSVHE-JLTOFOAXSA-N 0 1 376.497 3.489 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2cccc(N3CCCNC3=O)c2)cc1F ZINC000129866767 1416276427 /nfs/dbraw/zinc/27/64/27/1416276427.db2.gz AOAOJUFXPRZMON-UHFFFAOYSA-N 0 1 399.470 3.129 20 0 GGADMN C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000129868637 1416276809 /nfs/dbraw/zinc/27/68/09/1416276809.db2.gz HONHRBYHDJGMSG-NVXWUHKLSA-N 0 1 389.521 3.172 20 0 GGADMN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000129868037 1416276939 /nfs/dbraw/zinc/27/69/39/1416276939.db2.gz HONHRBYHDJGMSG-RDJZCZTQSA-N 0 1 389.521 3.172 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)c1cc(F)ccc1N1CCC(O)CC1 ZINC000129897096 1416281226 /nfs/dbraw/zinc/28/12/26/1416281226.db2.gz SRONHPOXHSNNSV-ZDUSSCGKSA-N 0 1 382.439 3.154 20 0 GGADMN CCc1nc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2)n[nH]1 ZINC000129900225 1416282197 /nfs/dbraw/zinc/28/21/97/1416282197.db2.gz AOHNYNXQDOJTCJ-UHFFFAOYSA-N 0 1 383.502 3.479 20 0 GGADMN CC(C)c1ccc(-c2ncc(CN3CCC(CS(N)(=O)=O)CC3)s2)cc1 ZINC000129901001 1416282277 /nfs/dbraw/zinc/28/22/77/1416282277.db2.gz PDPADAAPNLHTIP-UHFFFAOYSA-N 0 1 393.578 3.434 20 0 GGADMN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(OC)c(OC)c1 ZINC000129908818 1416283242 /nfs/dbraw/zinc/28/32/42/1416283242.db2.gz WRYZDRRNLUZINY-KRWDZBQOSA-N 0 1 392.521 3.195 20 0 GGADMN Cn1cnc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1Cl ZINC000129908130 1416283252 /nfs/dbraw/zinc/28/32/52/1416283252.db2.gz KYPNRIISVKPGLH-UHFFFAOYSA-N 0 1 385.070 3.290 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2CSC)N2CCCC2)cc1 ZINC000178462874 1429083129 /nfs/dbraw/zinc/08/31/29/1429083129.db2.gz XGPZANNBGYPZGQ-PKOBYXMFSA-N 0 1 377.554 3.369 20 0 GGADMN CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000129937759 1416288143 /nfs/dbraw/zinc/28/81/43/1416288143.db2.gz MBCHKLNXJBYESP-INIZCTEOSA-N 0 1 390.867 3.394 20 0 GGADMN CCc1nc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)n[nH]1 ZINC000129975511 1416294342 /nfs/dbraw/zinc/29/43/42/1416294342.db2.gz PIKBHXQNKISBMG-UHFFFAOYSA-N 0 1 377.477 3.361 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000129988659 1416297117 /nfs/dbraw/zinc/29/71/17/1416297117.db2.gz HSVJDZSJAXQXPO-UHFFFAOYSA-N 0 1 378.517 3.194 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCC3(C2)CCCCC3)cc1 ZINC000129989932 1416297870 /nfs/dbraw/zinc/29/78/70/1416297870.db2.gz XKIQSGNWLGEPOK-UHFFFAOYSA-N 0 1 378.538 3.465 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000129990916 1416297941 /nfs/dbraw/zinc/29/79/41/1416297941.db2.gz LDPYLBLEWGHZTO-IRXDYDNUSA-N 0 1 389.883 3.106 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000129991366 1416298003 /nfs/dbraw/zinc/29/80/03/1416298003.db2.gz LDPYLBLEWGHZTO-DLBZAZTESA-N 0 1 389.883 3.106 20 0 GGADMN C[C@](CO)(NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000130010921 1416302435 /nfs/dbraw/zinc/30/24/35/1416302435.db2.gz GRHNZOSGWDWXSJ-HXUWFJFHSA-N 0 1 379.932 3.012 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(Cl)cc1F ZINC000130039365 1416306899 /nfs/dbraw/zinc/30/68/99/1416306899.db2.gz NGLYPZZMJKHPHO-CVEARBPZSA-N 0 1 377.847 3.236 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC(C3OCCO3)CC2)c1 ZINC000130048507 1416308426 /nfs/dbraw/zinc/30/84/26/1416308426.db2.gz PQRFCHZPJCBTNU-SFHVURJKSA-N 0 1 381.900 3.483 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC(C3OCCO3)CC2)c1 ZINC000130048713 1416308493 /nfs/dbraw/zinc/30/84/93/1416308493.db2.gz PQRFCHZPJCBTNU-GOSISDBHSA-N 0 1 381.900 3.483 20 0 GGADMN O=C(CCC1CCOCC1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000130050461 1416308677 /nfs/dbraw/zinc/30/86/77/1416308677.db2.gz MIEQQXJHJBVJOZ-MRXNPFEDSA-N 0 1 382.386 3.236 20 0 GGADMN Cc1noc(C)c1[C@H](C)CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000130066192 1416311336 /nfs/dbraw/zinc/31/13/36/1416311336.db2.gz QDFDNFJSPPBVCR-GOSISDBHSA-N 0 1 398.551 3.422 20 0 GGADMN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000130070493 1416311794 /nfs/dbraw/zinc/31/17/94/1416311794.db2.gz KPEJVQFXBHGFFT-IBGZPJMESA-N 0 1 394.515 3.150 20 0 GGADMN CCC(=O)N1CC[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1 ZINC000130084507 1416314740 /nfs/dbraw/zinc/31/47/40/1416314740.db2.gz PTBGSZXISPOWSA-OAHLLOKOSA-N 0 1 394.450 3.490 20 0 GGADMN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000130090078 1416316261 /nfs/dbraw/zinc/31/62/61/1416316261.db2.gz JASMKZHTXWNROC-LBPRGKRZSA-N 0 1 389.500 3.009 20 0 GGADMN COc1ccccc1CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C1CC1 ZINC000130096731 1416317417 /nfs/dbraw/zinc/31/74/17/1416317417.db2.gz XOHKAFGNMVCUJB-UHFFFAOYSA-N 0 1 395.484 3.036 20 0 GGADMN C[C@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000130100318 1416317866 /nfs/dbraw/zinc/31/78/66/1416317866.db2.gz BUVJYJHOAUWTRT-NHYWBVRUSA-N 0 1 382.386 3.092 20 0 GGADMN C[C@@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000130100540 1416318259 /nfs/dbraw/zinc/31/82/59/1416318259.db2.gz BUVJYJHOAUWTRT-ABAIWWIYSA-N 0 1 382.386 3.092 20 0 GGADMN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc(-c2nnc[nH]2)c1 ZINC000130105967 1416319029 /nfs/dbraw/zinc/31/90/29/1416319029.db2.gz VYEBOQFTEYLXOS-INIZCTEOSA-N 0 1 382.395 3.421 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)C2CCC(CO)CC2)N2CCCC2)cc1 ZINC000178476096 1429086073 /nfs/dbraw/zinc/08/60/73/1429086073.db2.gz PYQVFUHYZDFGEG-XTXLOEGASA-N 0 1 389.540 3.025 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000130115965 1416321034 /nfs/dbraw/zinc/32/10/34/1416321034.db2.gz IJZNPVHMJASGQG-UHFFFAOYSA-N 0 1 388.443 3.176 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Nc2c(C)n[nH]c2C)CC1 ZINC000130124076 1416322799 /nfs/dbraw/zinc/32/27/99/1416322799.db2.gz GABGFZPVNOGUBE-UHFFFAOYSA-N 0 1 376.892 3.466 20 0 GGADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178476052 1429086387 /nfs/dbraw/zinc/08/63/87/1429086387.db2.gz LUQZDPHSAUXBQL-REWPJTCUSA-N 0 1 393.531 3.329 20 0 GGADMN C[C@H](NC(=O)CSCC(F)(F)F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000130131424 1416324075 /nfs/dbraw/zinc/32/40/75/1416324075.db2.gz QEBSFPZQJLVOCY-LBPRGKRZSA-N 0 1 393.450 3.050 20 0 GGADMN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000130146330 1416327020 /nfs/dbraw/zinc/32/70/20/1416327020.db2.gz JSGCMWYYCKMUNB-OXQOHEQNSA-N 0 1 385.508 3.445 20 0 GGADMN C[C@H]1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000130197287 1416337419 /nfs/dbraw/zinc/33/74/19/1416337419.db2.gz IWHFCEYMLVMCPH-SFHVURJKSA-N 0 1 390.491 3.396 20 0 GGADMN CCN(CC(=O)N1CCNC1=O)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000130226187 1416342357 /nfs/dbraw/zinc/34/23/57/1416342357.db2.gz RFQORABWWSUZDY-MRXNPFEDSA-N 0 1 381.476 3.297 20 0 GGADMN Cc1cc(NC(=O)[C@H](C(C)C)N(C)C)nn1CCCOc1ccc(F)cc1 ZINC000130252320 1416346530 /nfs/dbraw/zinc/34/65/30/1416346530.db2.gz GCBWOJIMDZOHNI-IBGZPJMESA-N 0 1 376.476 3.324 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000130257375 1416347562 /nfs/dbraw/zinc/34/75/62/1416347562.db2.gz RICMPOMPTJHXAK-KRWDZBQOSA-N 0 1 389.883 3.096 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000130283600 1416351264 /nfs/dbraw/zinc/35/12/64/1416351264.db2.gz JSKILOFMEFURJT-CQSZACIVSA-N 0 1 395.912 3.158 20 0 GGADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(F)c1 ZINC000178487484 1429088613 /nfs/dbraw/zinc/08/86/13/1429088613.db2.gz OVLAQOFHKCOTDW-ZIAGYGMSSA-N 0 1 380.485 3.496 20 0 GGADMN CCCN1CCN(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000130302638 1416354577 /nfs/dbraw/zinc/35/45/77/1416354577.db2.gz MCHFYEYAVGAGLC-UHFFFAOYSA-N 0 1 380.492 3.176 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000130305953 1416354774 /nfs/dbraw/zinc/35/47/74/1416354774.db2.gz LDCNESNSYLJQJV-CQSZACIVSA-N 0 1 376.526 3.070 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)n[nH]2)cc1 ZINC000130348174 1416362182 /nfs/dbraw/zinc/36/21/82/1416362182.db2.gz ROEQMOZWCZMTJJ-OXJNMPFZSA-N 0 1 378.476 3.001 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(N4CCOCC4)ccn3)[nH]c2c1 ZINC000130353543 1416363385 /nfs/dbraw/zinc/36/33/85/1416363385.db2.gz STSMWELPZWPFJM-HXUWFJFHSA-N 0 1 391.475 3.080 20 0 GGADMN C[C@@H](C(=O)N1CCCC1)N1CCN(CCCSc2ccccc2Cl)CC1 ZINC000130370423 1416366518 /nfs/dbraw/zinc/36/65/18/1416366518.db2.gz YNTSNYPAHCIUFJ-KRWDZBQOSA-N 0 1 396.000 3.451 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1c(F)cccc1Br)c1ccc(C)o1 ZINC000130377429 1416367322 /nfs/dbraw/zinc/36/73/22/1416367322.db2.gz IGYROSXENONUDZ-GFCCVEGCSA-N 0 1 392.246 3.156 20 0 GGADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc(N2CCOCC2)ccn1 ZINC000130381748 1416367939 /nfs/dbraw/zinc/36/79/39/1416367939.db2.gz UPDWFLZZPPCETA-UHFFFAOYSA-N 0 1 377.448 3.314 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3cnn(-c4ccccc4F)c3)cc2)CC1 ZINC000130396605 1416370886 /nfs/dbraw/zinc/37/08/86/1416370886.db2.gz DKGVZZUIMRSLRS-UHFFFAOYSA-N 0 1 393.466 3.011 20 0 GGADMN CCOC(=O)CC1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000130409932 1416373438 /nfs/dbraw/zinc/37/34/38/1416373438.db2.gz RUOWIQRQSLBVCL-NVXWUHKLSA-N 0 1 378.538 3.465 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000130415554 1416374305 /nfs/dbraw/zinc/37/43/05/1416374305.db2.gz GKJUFBMJGNENSB-KRWDZBQOSA-N 0 1 376.522 3.079 20 0 GGADMN CCc1ccc([C@H](C)NCc2cccc(S(=O)(=O)NCCOC)c2)cc1 ZINC000130425388 1416375912 /nfs/dbraw/zinc/37/59/12/1416375912.db2.gz HKQFUTRDPRTYMH-INIZCTEOSA-N 0 1 376.522 3.025 20 0 GGADMN CN(C(=O)c1ccncc1)c1ccc(CNCc2cccc3c2OCO3)cc1 ZINC000130427288 1416376356 /nfs/dbraw/zinc/37/63/56/1416376356.db2.gz IBHBXEFWODITGX-UHFFFAOYSA-N 0 1 375.428 3.377 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000130438967 1416378519 /nfs/dbraw/zinc/37/85/19/1416378519.db2.gz PQZIQSYYDPSQQV-FGTMMUONSA-N 0 1 375.557 3.179 20 0 GGADMN Cc1nnnn1-c1ccc(F)c(NC(=O)CN(Cc2ccccc2)C(C)(C)C)c1 ZINC000130439365 1416378600 /nfs/dbraw/zinc/37/86/00/1416378600.db2.gz GTXPZOSOURFYOL-UHFFFAOYSA-N 0 1 396.470 3.349 20 0 GGADMN COc1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1F ZINC000130444231 1416379600 /nfs/dbraw/zinc/37/96/00/1416379600.db2.gz ALVYJDRWCRMGQK-HOTGVXAUSA-N 0 1 386.467 3.374 20 0 GGADMN CCOC(=O)COc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000130468529 1416382740 /nfs/dbraw/zinc/38/27/40/1416382740.db2.gz HGMARYJIMZBIGI-QHCPKHFHSA-N 0 1 381.472 3.302 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3=C(C)OCCC3)CC2)c1C ZINC000130471182 1416383504 /nfs/dbraw/zinc/38/35/04/1416383504.db2.gz JMHCRNVARKOEIE-UHFFFAOYSA-N 0 1 387.524 3.214 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1c[nH]nc1-c1c(F)cccc1F ZINC000178501072 1429091818 /nfs/dbraw/zinc/09/18/18/1429091818.db2.gz DBPLWDUWONKNIT-UHFFFAOYSA-N 0 1 397.429 3.144 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000130486368 1416386486 /nfs/dbraw/zinc/38/64/86/1416386486.db2.gz YXZXQDTXWYINJX-IBGZPJMESA-N 0 1 394.924 3.042 20 0 GGADMN CC[N@@H+](Cc1ccccc1CC(=O)OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439902 1429091913 /nfs/dbraw/zinc/09/19/13/1429091913.db2.gz SSTULQAWAWICNL-HNNXBMFYSA-N 0 1 379.464 3.165 20 0 GGADMN CC[N@H+](Cc1ccccc1CC(=O)OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439902 1429091920 /nfs/dbraw/zinc/09/19/20/1429091920.db2.gz SSTULQAWAWICNL-HNNXBMFYSA-N 0 1 379.464 3.165 20 0 GGADMN CC[N@@H+](Cc1ccccc1CC(=O)OC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439902 1429091925 /nfs/dbraw/zinc/09/19/25/1429091925.db2.gz SSTULQAWAWICNL-HNNXBMFYSA-N 0 1 379.464 3.165 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000130491451 1416387362 /nfs/dbraw/zinc/38/73/62/1416387362.db2.gz XZXRFPOBGNSTCB-CYBMUJFWSA-N 0 1 388.443 3.297 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccnc(OCC(F)(F)F)c1 ZINC000130495975 1416388625 /nfs/dbraw/zinc/38/86/25/1416388625.db2.gz RRBCIRVBMNDUED-AWEZNQCLSA-N 0 1 383.370 3.183 20 0 GGADMN O=C(CCN1C(=O)CCc2cc(F)ccc21)NC[C@@H](c1ccco1)N1CCCC1 ZINC000130499079 1416388823 /nfs/dbraw/zinc/38/88/23/1416388823.db2.gz CLTNPESFQMRMEW-IBGZPJMESA-N 0 1 399.466 3.041 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000130504353 1416390229 /nfs/dbraw/zinc/39/02/29/1416390229.db2.gz XIDHGFTVVCTBSV-HXUWFJFHSA-N 0 1 397.519 3.461 20 0 GGADMN CCNC(=O)CCCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000130514249 1416391571 /nfs/dbraw/zinc/39/15/71/1416391571.db2.gz MAXGSDFJVXTQCK-UHFFFAOYSA-N 0 1 377.448 3.384 20 0 GGADMN CCNC(=O)CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000130514249 1416391573 /nfs/dbraw/zinc/39/15/73/1416391573.db2.gz MAXGSDFJVXTQCK-UHFFFAOYSA-N 0 1 377.448 3.384 20 0 GGADMN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000130512466 1416391691 /nfs/dbraw/zinc/39/16/91/1416391691.db2.gz IDBREYYOBROSPK-GOSISDBHSA-N 0 1 375.432 3.088 20 0 GGADMN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000130512466 1416391698 /nfs/dbraw/zinc/39/16/98/1416391698.db2.gz IDBREYYOBROSPK-GOSISDBHSA-N 0 1 375.432 3.088 20 0 GGADMN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000130512671 1416391759 /nfs/dbraw/zinc/39/17/59/1416391759.db2.gz IDBREYYOBROSPK-SFHVURJKSA-N 0 1 375.432 3.088 20 0 GGADMN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000130512671 1416391763 /nfs/dbraw/zinc/39/17/63/1416391763.db2.gz IDBREYYOBROSPK-SFHVURJKSA-N 0 1 375.432 3.088 20 0 GGADMN C[C@H]1CCCN(C(=O)C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000130520504 1416393079 /nfs/dbraw/zinc/39/30/79/1416393079.db2.gz OYJBCJFHPJPFMS-IBGZPJMESA-N 0 1 380.536 3.402 20 0 GGADMN Cc1cc(C)c(C(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)[nH]1 ZINC000130525622 1416393548 /nfs/dbraw/zinc/39/35/48/1416393548.db2.gz FSNMIQXECHICIQ-UHFFFAOYSA-N 0 1 394.441 3.332 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000130529363 1416394212 /nfs/dbraw/zinc/39/42/12/1416394212.db2.gz IWXRGZUFMYAAOS-UHFFFAOYSA-N 0 1 384.448 3.170 20 0 GGADMN CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)=O)ccc2Cl)c1C ZINC000130530515 1416394758 /nfs/dbraw/zinc/39/47/58/1416394758.db2.gz MRBZMGJXSNEYCS-UHFFFAOYSA-N 0 1 380.853 3.011 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)c1 ZINC000130571495 1416401605 /nfs/dbraw/zinc/40/16/05/1416401605.db2.gz REMYBJZMYSESQU-UHFFFAOYSA-N 0 1 394.815 3.063 20 0 GGADMN CCCOc1cccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000130582277 1416403981 /nfs/dbraw/zinc/40/39/81/1416403981.db2.gz NADBJVZEAQNJBR-WOJBJXKFSA-N 0 1 383.492 3.232 20 0 GGADMN COc1ccc(Cl)cc1C1(CNC(=O)c2[nH]nc3c2CCC3)CCOCC1 ZINC000130598191 1416407545 /nfs/dbraw/zinc/40/75/45/1416407545.db2.gz WUORYNCCFCSCCF-UHFFFAOYSA-N 0 1 389.883 3.039 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000130607428 1416408630 /nfs/dbraw/zinc/40/86/30/1416408630.db2.gz ZRYRXGYHZVPOGI-KRWDZBQOSA-N 0 1 394.562 3.180 20 0 GGADMN CCOc1ccc(-c2nc(CN[C@H]3CCCC[C@@H]3C(N)=O)cs2)cc1OC ZINC000130614884 1416410394 /nfs/dbraw/zinc/41/03/94/1416410394.db2.gz QSUCRFVFXJWKPR-HOTGVXAUSA-N 0 1 389.521 3.351 20 0 GGADMN O=c1cc(CN2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)nc2sccn21 ZINC000130624510 1416413166 /nfs/dbraw/zinc/41/31/66/1416413166.db2.gz UCZTWZREEIWAOE-LJQANCHMSA-N 0 1 398.507 3.090 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(OC(F)F)c1 ZINC000130659466 1416419441 /nfs/dbraw/zinc/41/94/41/1416419441.db2.gz JDNKPJZSLWVJFN-IAGOWNOFSA-N 0 1 391.418 3.045 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc(F)cc2nc[nH]c21 ZINC000130670241 1416422060 /nfs/dbraw/zinc/42/20/60/1416422060.db2.gz AFFAZJJNMXXKDQ-UHFFFAOYSA-N 0 1 388.393 3.375 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)n[nH]2)c1 ZINC000178517345 1429095507 /nfs/dbraw/zinc/09/55/07/1429095507.db2.gz QEKOXXNSGNZXGG-FQEVSTJZSA-N 0 1 381.407 3.438 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000130690369 1416425765 /nfs/dbraw/zinc/42/57/65/1416425765.db2.gz LRJRKINXNLKLQS-OALUTQOASA-N 0 1 383.492 3.231 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000130690369 1416425770 /nfs/dbraw/zinc/42/57/70/1416425770.db2.gz LRJRKINXNLKLQS-OALUTQOASA-N 0 1 383.492 3.231 20 0 GGADMN O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1cccc(-n2ccnn2)c1 ZINC000130693757 1416426153 /nfs/dbraw/zinc/42/61/53/1416426153.db2.gz SCIGDAOCVZNIHF-HXUWFJFHSA-N 0 1 376.464 3.053 20 0 GGADMN NC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)C1 ZINC000130696397 1416427792 /nfs/dbraw/zinc/42/77/92/1416427792.db2.gz HJHMVPKAEAXMLM-ZDUSSCGKSA-N 0 1 381.411 3.098 20 0 GGADMN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000130709690 1416431267 /nfs/dbraw/zinc/43/12/67/1416431267.db2.gz JNNNATPIFIJOTN-UHFFFAOYSA-N 0 1 385.431 3.319 20 0 GGADMN O=S(=O)(c1ccc(CNCc2cnc(C3CCC3)s2)cc1)N1CCCC1 ZINC000130717573 1416433218 /nfs/dbraw/zinc/43/32/18/1416433218.db2.gz VKBWDXYTYRMNAK-UHFFFAOYSA-N 0 1 391.562 3.485 20 0 GGADMN Cc1noc(C2CCN(C(=O)NC[C@H](c3ccco3)N3CCCCC3)CC2)n1 ZINC000130726092 1416435475 /nfs/dbraw/zinc/43/54/75/1416435475.db2.gz BNAAOUPGCHMQNB-QGZVFWFLSA-N 0 1 387.484 3.087 20 0 GGADMN CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 ZINC000130729036 1416436138 /nfs/dbraw/zinc/43/61/38/1416436138.db2.gz FOUOXFPIIIKQJL-GCJKJVERSA-N 0 1 390.487 3.417 20 0 GGADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(C2CC2)c1=S ZINC000130731938 1416437095 /nfs/dbraw/zinc/43/70/95/1416437095.db2.gz BUKUFCROFGGAKM-RDJZCZTQSA-N 0 1 379.574 3.444 20 0 GGADMN CCC[C@H](C)[C@@H]1CCCN1Cn1nc(N2CCOCC2)n(C2CC2)c1=S ZINC000130731938 1416437099 /nfs/dbraw/zinc/43/70/99/1416437099.db2.gz BUKUFCROFGGAKM-RDJZCZTQSA-N 0 1 379.574 3.444 20 0 GGADMN CC(C)Oc1ccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000130731329 1416437182 /nfs/dbraw/zinc/43/71/82/1416437182.db2.gz YWUBOGBEADLTQP-WOJBJXKFSA-N 0 1 383.492 3.231 20 0 GGADMN CC(C)Oc1ccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000130731329 1416437186 /nfs/dbraw/zinc/43/71/86/1416437186.db2.gz YWUBOGBEADLTQP-WOJBJXKFSA-N 0 1 383.492 3.231 20 0 GGADMN CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000130731116 1416437369 /nfs/dbraw/zinc/43/73/69/1416437369.db2.gz YWUBOGBEADLTQP-VQTJNVASSA-N 0 1 383.492 3.231 20 0 GGADMN CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000130731116 1416437376 /nfs/dbraw/zinc/43/73/76/1416437376.db2.gz YWUBOGBEADLTQP-VQTJNVASSA-N 0 1 383.492 3.231 20 0 GGADMN COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000821803630 1429097612 /nfs/dbraw/zinc/09/76/12/1429097612.db2.gz GMFZLFLNYGFKLT-HXUWFJFHSA-N 0 1 390.422 3.289 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)N2CCCC2)o1 ZINC000130774256 1416447611 /nfs/dbraw/zinc/44/76/11/1416447611.db2.gz DERLNVKQZDUPKK-SFHVURJKSA-N 0 1 380.452 3.127 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)CCc2nnc(C3CCCC3)o2)n1 ZINC000130777396 1416448192 /nfs/dbraw/zinc/44/81/92/1416448192.db2.gz OINIXMLELPXJDO-UHFFFAOYSA-N 0 1 382.424 3.092 20 0 GGADMN CCS(=O)(=O)NCCCN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000130787939 1416451292 /nfs/dbraw/zinc/45/12/92/1416451292.db2.gz XZRTYEGJVAWGOK-UHFFFAOYSA-N 0 1 394.581 3.109 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130798658 1416453747 /nfs/dbraw/zinc/45/37/47/1416453747.db2.gz BASNVIZUEIDHRK-GOSISDBHSA-N 0 1 392.503 3.376 20 0 GGADMN Cc1ccc2[nH]c([C@@H]3CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C3)nc2c1 ZINC000130796085 1416454043 /nfs/dbraw/zinc/45/40/43/1416454043.db2.gz UTNJBBQLAACGPM-LSDHHAIUSA-N 0 1 385.512 3.064 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C3)[nH]c2c1 ZINC000130796085 1416454047 /nfs/dbraw/zinc/45/40/47/1416454047.db2.gz UTNJBBQLAACGPM-LSDHHAIUSA-N 0 1 385.512 3.064 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN([C@@H]4CCN(CC(F)(F)F)C4=O)C3)[nH]c2c1 ZINC000130806467 1416455152 /nfs/dbraw/zinc/45/51/52/1416455152.db2.gz OBRWXVQWYAZMKI-CZUORRHYSA-N 0 1 380.414 3.214 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN([C@@H]4CCN(CC(F)(F)F)C4=O)C3)[nH]c2c1 ZINC000130806674 1416455509 /nfs/dbraw/zinc/45/55/09/1416455509.db2.gz OBRWXVQWYAZMKI-XJKSGUPXSA-N 0 1 380.414 3.214 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000130808774 1416456136 /nfs/dbraw/zinc/45/61/36/1416456136.db2.gz NOVABEFBFGMVHL-MOPGFXCFSA-N 0 1 383.492 3.151 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2OCC(C)C)cc1 ZINC000130834982 1416463622 /nfs/dbraw/zinc/46/36/22/1416463622.db2.gz MKVAFBWXAGICNP-MRXNPFEDSA-N 0 1 376.522 3.480 20 0 GGADMN CCOc1ccc(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c(C)c1 ZINC000130842675 1416464956 /nfs/dbraw/zinc/46/49/56/1416464956.db2.gz ADNWSTQRTIWSKK-MOPGFXCFSA-N 0 1 383.492 3.151 20 0 GGADMN CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000178534049 1429099069 /nfs/dbraw/zinc/09/90/69/1429099069.db2.gz VNXCNDOSADOPOR-UHFFFAOYSA-N 0 1 390.427 3.221 20 0 GGADMN CCc1ncsc1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000130849995 1416466904 /nfs/dbraw/zinc/46/69/04/1416466904.db2.gz LXHRPVBLLFTJJJ-HNNXBMFYSA-N 0 1 383.477 3.192 20 0 GGADMN CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000130864020 1416470575 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GGADMN COc1cccc([C@H](CNC(=O)c2cnc([C@@H]3CCCO3)s2)N(C)C)c1 ZINC000130918775 1416480799 /nfs/dbraw/zinc/48/07/99/1416480799.db2.gz QSTNWGPLJRKIGM-HOTGVXAUSA-N 0 1 375.494 3.036 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc([C@@H]3CCCO3)s2)N(C)C)c1 ZINC000130918959 1416481026 /nfs/dbraw/zinc/48/10/26/1416481026.db2.gz QSTNWGPLJRKIGM-CVEARBPZSA-N 0 1 375.494 3.036 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)CN2CCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000130921982 1416481513 /nfs/dbraw/zinc/48/15/13/1416481513.db2.gz GWVJCJMTQZBYBH-HXUWFJFHSA-N 0 1 387.524 3.259 20 0 GGADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000130937947 1416484489 /nfs/dbraw/zinc/48/44/89/1416484489.db2.gz XHESMGFDDJFHKM-XLIONFOSSA-N 0 1 391.537 3.122 20 0 GGADMN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(O)c(Cl)c1 ZINC000130942002 1416484833 /nfs/dbraw/zinc/48/48/33/1416484833.db2.gz FWMLMAMTCORCEE-GFCCVEGCSA-N 0 1 389.757 3.234 20 0 GGADMN O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000130942080 1416484947 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CCCNC(=O)c1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000131005946 1416495224 /nfs/dbraw/zinc/49/52/24/1416495224.db2.gz MVBVMXVATVXJLZ-UHFFFAOYSA-N 0 1 379.504 3.175 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc2c(cc1F)NC(=O)CC2 ZINC000131040449 1416499939 /nfs/dbraw/zinc/49/99/39/1416499939.db2.gz ANUCSGUVEFNNLD-QGZVFWFLSA-N 0 1 387.480 3.339 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc2c(cc1F)NC(=O)CC2 ZINC000131040661 1416500014 /nfs/dbraw/zinc/50/00/14/1416500014.db2.gz ANUCSGUVEFNNLD-KRWDZBQOSA-N 0 1 387.480 3.339 20 0 GGADMN C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000131047586 1416501074 /nfs/dbraw/zinc/50/10/74/1416501074.db2.gz XVFIGJDNHUBDAU-KBXCAEBGSA-N 0 1 389.459 3.382 20 0 GGADMN C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000131047586 1416501079 /nfs/dbraw/zinc/50/10/79/1416501079.db2.gz XVFIGJDNHUBDAU-KBXCAEBGSA-N 0 1 389.459 3.382 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(C)n(-c3nccs3)c2C)CCN1CCOC ZINC000131057356 1416502407 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Cc1noc(C2CC2)c1C(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000131130091 1416513312 /nfs/dbraw/zinc/51/33/12/1416513312.db2.gz PLMZXUBTCXJKDE-UHFFFAOYSA-N 0 1 382.508 3.111 20 0 GGADMN NC(=O)c1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000131165258 1416518416 /nfs/dbraw/zinc/51/84/16/1416518416.db2.gz APONMNKPGOSLOC-UHFFFAOYSA-N 0 1 397.482 3.382 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000131196685 1416522174 /nfs/dbraw/zinc/52/21/74/1416522174.db2.gz KWSUDKPJOOYLGX-SQGPQFPESA-N 0 1 393.553 3.161 20 0 GGADMN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cccc3nc[nH]c32)c1 ZINC000131209185 1416523899 /nfs/dbraw/zinc/52/38/99/1416523899.db2.gz ZXSWGXZQTLTQFI-ZDUSSCGKSA-N 0 1 386.477 3.033 20 0 GGADMN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000131222437 1416525679 /nfs/dbraw/zinc/52/56/79/1416525679.db2.gz RNMSBUQPTINKLE-IBGZPJMESA-N 0 1 393.572 3.203 20 0 GGADMN CC[C@H](NCc1ccc(N2CCCC2)nc1)c1ccccc1OCC(=O)N(C)C ZINC000131265736 1416532160 /nfs/dbraw/zinc/53/21/60/1416532160.db2.gz OEQBNHDSMOBQPK-FQEVSTJZSA-N 0 1 396.535 3.390 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)n[nH]2)c1 ZINC000131268715 1416532455 /nfs/dbraw/zinc/53/24/55/1416532455.db2.gz QTGVUKNSFITFPM-IBGZPJMESA-N 0 1 399.491 3.276 20 0 GGADMN CC(=O)N(c1nc(CN2CCN(C(C)C)CC2)cs1)c1ccccc1F ZINC000131270176 1416533062 /nfs/dbraw/zinc/53/30/62/1416533062.db2.gz XMBNYGIVPQKFGU-UHFFFAOYSA-N 0 1 376.501 3.493 20 0 GGADMN CCc1nc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)co1 ZINC000131286914 1416535391 /nfs/dbraw/zinc/53/53/91/1416535391.db2.gz GYOPGRAMAJNJQZ-UHFFFAOYSA-N 0 1 395.437 3.491 20 0 GGADMN COc1cc([C@H](C)NCc2ccc(OCC3CC3)nc2)ccc1S(C)(=O)=O ZINC000131337597 1416542019 /nfs/dbraw/zinc/54/20/19/1416542019.db2.gz OFNIUFBDTMBWPU-AWEZNQCLSA-N 0 1 390.505 3.133 20 0 GGADMN C[C@@H](NC(=O)Cc1cccc(F)c1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000131377066 1416547429 /nfs/dbraw/zinc/54/74/29/1416547429.db2.gz FADFHGZFHGDFAY-CQSZACIVSA-N 0 1 391.437 3.276 20 0 GGADMN CC(C)OCc1ccc(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000131377534 1416547538 /nfs/dbraw/zinc/54/75/38/1416547538.db2.gz YHYSPLGIDXKZDD-FCHUYYIVSA-N 0 1 397.519 3.369 20 0 GGADMN C[C@@H](NC(=O)Cc1c(F)cccc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000131379439 1416548085 /nfs/dbraw/zinc/54/80/85/1416548085.db2.gz QCAURRBZUDOLKW-CQSZACIVSA-N 0 1 391.437 3.276 20 0 GGADMN Cc1cccc2c(CC(=O)NCCCN3CCN(c4ccccc4)CC3)c[nH]c21 ZINC000131379270 1416548108 /nfs/dbraw/zinc/54/81/08/1416548108.db2.gz ADERUXQAWGSNGB-UHFFFAOYSA-N 0 1 390.531 3.347 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000131384199 1416548779 /nfs/dbraw/zinc/54/87/79/1416548779.db2.gz DZKXDGJRZFHEQU-OAQYLSRUSA-N 0 1 379.504 3.221 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@H](O)c1cccc(C)c1)N1CCCC1 ZINC000131389737 1416549718 /nfs/dbraw/zinc/54/97/18/1416549718.db2.gz GHWINWLLIVONMS-NHCUHLMSSA-N 0 1 397.519 3.173 20 0 GGADMN CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000131398105 1416550830 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0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)N2CCCC2)cc1 ZINC000131438290 1416558145 /nfs/dbraw/zinc/55/81/45/1416558145.db2.gz NHFHRRVSTPFCTI-HXUWFJFHSA-N 0 1 383.467 3.334 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)N(C)C)c1 ZINC000131442746 1416558566 /nfs/dbraw/zinc/55/85/66/1416558566.db2.gz YIVZOHYFIQMNQU-ICSRJNTNSA-N 0 1 389.540 3.479 20 0 GGADMN CC[C@H](Cc1ccccc1)N(C)CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000131447518 1416559410 /nfs/dbraw/zinc/55/94/10/1416559410.db2.gz ARDUEXVIXGBJEV-QGZVFWFLSA-N 0 1 396.470 3.001 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2cc(C[NH+]3CCCC3)ccc2C)cc1OC ZINC000131452529 1416560433 /nfs/dbraw/zinc/56/04/33/1416560433.db2.gz SIBOHWFGPYFVNF-UHFFFAOYSA-N 0 1 390.505 3.409 20 0 GGADMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000131465937 1416562180 /nfs/dbraw/zinc/56/21/80/1416562180.db2.gz UXKIJEVMJYJZFK-UHFFFAOYSA-N 0 1 399.516 3.276 20 0 GGADMN COc1ccc(Cl)c(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000131479988 1416564041 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0 GGADMN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1c(O)cccc1F ZINC000131623610 1416586080 /nfs/dbraw/zinc/58/60/80/1416586080.db2.gz ZGEVPVMFXFNZMB-UHFFFAOYSA-N 0 1 380.441 3.121 20 0 GGADMN COCCn1c(C)cc(C(=O)CN(CCCO)[C@@H]2CCc3ccccc32)c1C ZINC000131649671 1416590534 /nfs/dbraw/zinc/59/05/34/1416590534.db2.gz FCKWBAFJMLVMOS-JOCHJYFZSA-N 0 1 384.520 3.306 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN2CCC(OCC3CCCC3)CC2)cc1 ZINC000131657168 1416591671 /nfs/dbraw/zinc/59/16/71/1416591671.db2.gz XFFHHBVIGOVSKP-UHFFFAOYSA-N 0 1 380.554 3.108 20 0 GGADMN COCc1ccccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000131699779 1416599184 /nfs/dbraw/zinc/59/91/84/1416599184.db2.gz UIVMTQQYCNQMGM-KRWDZBQOSA-N 0 1 382.508 3.253 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cc2ccccc2o1 ZINC000820412250 1429111473 /nfs/dbraw/zinc/11/14/73/1429111473.db2.gz LFYKFWATXVWRKI-AWEZNQCLSA-N 0 1 389.463 3.328 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000178576344 1429111674 /nfs/dbraw/zinc/11/16/74/1429111674.db2.gz CCBLNJFWTZKUET-STQMWFEESA-N 0 1 396.484 3.163 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1F ZINC000131725831 1416605357 /nfs/dbraw/zinc/60/53/57/1416605357.db2.gz YQVYDLGCUQCGTK-OAHLLOKOSA-N 0 1 386.471 3.254 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccn1 ZINC000131727222 1416605390 /nfs/dbraw/zinc/60/53/90/1416605390.db2.gz QDSLWSOPWXLOCI-INIZCTEOSA-N 0 1 389.521 3.116 20 0 GGADMN CN(C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C1CCC(C)(C)CC1 ZINC000131726141 1416605446 /nfs/dbraw/zinc/60/54/46/1416605446.db2.gz JOALKDAOCCRGDA-UHFFFAOYSA-N 0 1 394.604 3.223 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000178576367 1429111752 /nfs/dbraw/zinc/11/17/52/1429111752.db2.gz CCBLNJFWTZKUET-CHWSQXEVSA-N 0 1 396.484 3.163 20 0 GGADMN O=C(c1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1)N1CCCCC1 ZINC000131734438 1416607045 /nfs/dbraw/zinc/60/70/45/1416607045.db2.gz AZBAFLGAFOXIRA-HXUWFJFHSA-N 0 1 386.536 3.330 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(OC[C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000131751484 1416611786 /nfs/dbraw/zinc/61/17/86/1416611786.db2.gz QEMKHYADTQHVGM-CVEARBPZSA-N 0 1 380.916 3.035 20 0 GGADMN C[C@@]1(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCCC[C@@H]1O ZINC000178576472 1429112254 /nfs/dbraw/zinc/11/22/54/1429112254.db2.gz OUYDYVPEDXFEIF-FPOVZHCZSA-N 0 1 377.504 3.031 20 0 GGADMN C[C@H](CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccncc1 ZINC000131760611 1416614061 /nfs/dbraw/zinc/61/40/61/1416614061.db2.gz JDPGBHVYTQCJLH-IAGOWNOFSA-N 0 1 384.499 3.344 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000131767991 1416615882 /nfs/dbraw/zinc/61/58/82/1416615882.db2.gz RKGPDUSVQDJUKX-CVEARBPZSA-N 0 1 396.478 3.002 20 0 GGADMN COCc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000131769727 1416616706 /nfs/dbraw/zinc/61/67/06/1416616706.db2.gz UCJICDBWZDPVIE-KRWDZBQOSA-N 0 1 382.508 3.253 20 0 GGADMN O=S1(=O)CCC[C@@H]1CNCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000131778353 1416618239 /nfs/dbraw/zinc/61/82/39/1416618239.db2.gz FKCIWJQUZBOXKR-QGZVFWFLSA-N 0 1 387.530 3.268 20 0 GGADMN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000178578461 1429112878 /nfs/dbraw/zinc/11/28/78/1429112878.db2.gz XSAXIHXOQXRZGP-JOCHJYFZSA-N 0 1 396.535 3.120 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3csc(-c4ccco4)n3)c2)CC1 ZINC000131785164 1416619848 /nfs/dbraw/zinc/61/98/48/1416619848.db2.gz MUZGGTRFUZPIBV-UHFFFAOYSA-N 0 1 396.516 3.081 20 0 GGADMN C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000131812584 1416626865 /nfs/dbraw/zinc/62/68/65/1416626865.db2.gz RVDHPCXUYYDGCB-AWEZNQCLSA-N 0 1 375.432 3.088 20 0 GGADMN C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000131812584 1416626870 /nfs/dbraw/zinc/62/68/70/1416626870.db2.gz RVDHPCXUYYDGCB-AWEZNQCLSA-N 0 1 375.432 3.088 20 0 GGADMN C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736265488 1429113562 /nfs/dbraw/zinc/11/35/62/1429113562.db2.gz BPDMPXZPBKJCTB-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736265488 1429113569 /nfs/dbraw/zinc/11/35/69/1429113569.db2.gz BPDMPXZPBKJCTB-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736265488 1429113578 /nfs/dbraw/zinc/11/35/78/1429113578.db2.gz BPDMPXZPBKJCTB-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN COCCN1[C@H](C)CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C[C@@H]1C ZINC000131856913 1416636239 /nfs/dbraw/zinc/63/62/39/1416636239.db2.gz QPMCUKFOXSLEIK-OKILXGFUSA-N 0 1 395.429 3.103 20 0 GGADMN C[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccncc2)C1)c1ccc(Cl)cc1 ZINC000131865694 1416637596 /nfs/dbraw/zinc/63/75/96/1416637596.db2.gz VOVSWKOMDXNWPE-QSFXBCCZSA-N 0 1 376.884 3.327 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000131866162 1416637621 /nfs/dbraw/zinc/63/76/21/1416637621.db2.gz AZKRCQCYCBYANX-OXQOHEQNSA-N 0 1 395.478 3.375 20 0 GGADMN CCc1cc2c(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)cc(=O)oc2cc1[O-] ZINC000131870364 1416638340 /nfs/dbraw/zinc/63/83/40/1416638340.db2.gz OVDLUGCJUUAIGQ-HNNXBMFYSA-N 0 1 387.476 3.079 20 0 GGADMN CN(CC(=O)NCCc1cccc(OCc2ccccc2)c1)[C@@H]1CCSC1 ZINC000131872915 1416639290 /nfs/dbraw/zinc/63/92/90/1416639290.db2.gz BPFQDIHKBWUKSR-HXUWFJFHSA-N 0 1 384.545 3.362 20 0 GGADMN COc1cccc(CCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000131879233 1416640744 /nfs/dbraw/zinc/64/07/44/1416640744.db2.gz ICJGTTORRBWESG-QGZVFWFLSA-N 0 1 382.508 3.158 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cn1 ZINC000131883658 1416640994 /nfs/dbraw/zinc/64/09/94/1416640994.db2.gz QYZWBFUZUJQIGC-QGZVFWFLSA-N 0 1 397.523 3.289 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cn1 ZINC000131883450 1416641297 /nfs/dbraw/zinc/64/12/97/1416641297.db2.gz QYZWBFUZUJQIGC-KRWDZBQOSA-N 0 1 397.523 3.289 20 0 GGADMN C[C@H](C(=O)NCCc1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000131895894 1416644047 /nfs/dbraw/zinc/64/40/47/1416644047.db2.gz YCWJFCVGHAGBKD-GOSISDBHSA-N 0 1 379.504 3.085 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CSC[C@@H]1CCCCO1 ZINC000131897137 1416644409 /nfs/dbraw/zinc/64/44/09/1416644409.db2.gz OPVBJXJDEWRTIG-QUCCMNQESA-N 0 1 376.566 3.412 20 0 GGADMN COC(=O)Cc1ccccc1CN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000131899548 1416644817 /nfs/dbraw/zinc/64/48/17/1416644817.db2.gz CCGWHIVTFRVFGS-UHFFFAOYSA-N 0 1 380.488 3.059 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(OC)c1 ZINC000131916229 1416650250 /nfs/dbraw/zinc/65/02/50/1416650250.db2.gz SCJPWTCTLYUAHJ-INIZCTEOSA-N 0 1 398.507 3.124 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000131915907 1416650373 /nfs/dbraw/zinc/65/03/73/1416650373.db2.gz KFLFZNSBOZYKPS-HXUWFJFHSA-N 0 1 396.470 3.448 20 0 GGADMN O=S(=O)(c1cccc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000131919188 1416651385 /nfs/dbraw/zinc/65/13/85/1416651385.db2.gz PGZVVUCBUZEFQV-INIZCTEOSA-N 0 1 382.489 3.404 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(C(F)F)c1 ZINC000131929473 1416653301 /nfs/dbraw/zinc/65/33/01/1416653301.db2.gz QNHPIRDMDFMRQV-QZTJIDSGSA-N 0 1 375.419 3.381 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000131930720 1416653364 /nfs/dbraw/zinc/65/33/64/1416653364.db2.gz OCCXUFXOJQIGIX-GOSISDBHSA-N 0 1 375.476 3.004 20 0 GGADMN O=C(c1ccsc1)N1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000131929873 1416653609 /nfs/dbraw/zinc/65/36/09/1416653609.db2.gz XQPIJJRYLOFMBP-UHFFFAOYSA-N 0 1 380.473 3.127 20 0 GGADMN COCCN1[C@H](C)CN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[C@@H]1C ZINC000131941010 1416656056 /nfs/dbraw/zinc/65/60/56/1416656056.db2.gz NYPUVSHQFMPIOT-OKILXGFUSA-N 0 1 395.429 3.103 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(C)nc1C(F)(F)F ZINC000131955506 1416659237 /nfs/dbraw/zinc/65/92/37/1416659237.db2.gz XSQHCQQMXRUXGC-CQSZACIVSA-N 0 1 380.414 3.176 20 0 GGADMN COCCCCCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000131985022 1416666477 /nfs/dbraw/zinc/66/64/77/1416666477.db2.gz XPHNIEMPPFJLRJ-UHFFFAOYSA-N 0 1 396.534 3.404 20 0 GGADMN CCOCCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000131986351 1416666522 /nfs/dbraw/zinc/66/65/22/1416666522.db2.gz UZJFFTJHSVIBJX-UHFFFAOYSA-N 0 1 392.459 3.485 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000132015125 1416674038 /nfs/dbraw/zinc/67/40/38/1416674038.db2.gz XKUNEZWPMNMTMG-INIZCTEOSA-N 0 1 376.522 3.480 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)CC3CCSCC3)CC2)c1 ZINC000132019310 1416675563 /nfs/dbraw/zinc/67/55/63/1416675563.db2.gz GFULRKFSZCKVFI-UHFFFAOYSA-N 0 1 375.582 3.157 20 0 GGADMN CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000132031790 1416678387 /nfs/dbraw/zinc/67/83/87/1416678387.db2.gz JVJSPPKHGGNWPA-INIZCTEOSA-N 0 1 379.570 3.320 20 0 GGADMN CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccccc1OC(F)F ZINC000132038140 1416680137 /nfs/dbraw/zinc/68/01/37/1416680137.db2.gz WCIVLEZFQQPAFF-MRXNPFEDSA-N 0 1 384.448 3.437 20 0 GGADMN COc1c(F)cc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1F ZINC000132068076 1416687349 /nfs/dbraw/zinc/68/73/49/1416687349.db2.gz LFFBJCQVSVZNGF-UHFFFAOYSA-N 0 1 391.399 3.375 20 0 GGADMN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000132071261 1416688307 /nfs/dbraw/zinc/68/83/07/1416688307.db2.gz MSOHBYXODAMFON-UHFFFAOYSA-N 0 1 384.461 3.481 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1)CCC2 ZINC000132072580 1416688687 /nfs/dbraw/zinc/68/86/87/1416688687.db2.gz ABWONLURYFMGBH-QGZVFWFLSA-N 0 1 393.578 3.465 20 0 GGADMN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(S(=O)(=O)N(C)C)cc1)CCC2 ZINC000132072580 1416688690 /nfs/dbraw/zinc/68/86/90/1416688690.db2.gz ABWONLURYFMGBH-QGZVFWFLSA-N 0 1 393.578 3.465 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)CC3CCSCC3)cc2)C[C@H](C)O1 ZINC000132078754 1416690010 /nfs/dbraw/zinc/69/00/10/1416690010.db2.gz LJDMVGCWUZLBEO-IRXDYDNUSA-N 0 1 376.566 3.445 20 0 GGADMN Cc1cc(NC(=O)C2CC2)sc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000132079276 1416690167 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397.385 3.052 20 0 GGADMN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134617195 1417097245 /nfs/dbraw/zinc/09/72/45/1417097245.db2.gz QXMRBZTZDWRFQI-INIZCTEOSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134617212 1417097419 /nfs/dbraw/zinc/09/74/19/1417097419.db2.gz QXMRBZTZDWRFQI-MRXNPFEDSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134617212 1417097425 /nfs/dbraw/zinc/09/74/25/1417097425.db2.gz QXMRBZTZDWRFQI-MRXNPFEDSA-N 0 1 397.385 3.052 20 0 GGADMN Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000134617881 1417097505 /nfs/dbraw/zinc/09/75/05/1417097505.db2.gz AOOLHNOMLVNCJC-QGZVFWFLSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000134617881 1417097512 /nfs/dbraw/zinc/09/75/12/1417097512.db2.gz AOOLHNOMLVNCJC-QGZVFWFLSA-N 0 1 393.422 3.221 20 0 GGADMN 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UFIZOHSLNZPXJY-INIZCTEOSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134618709 1417098518 /nfs/dbraw/zinc/09/85/18/1417098518.db2.gz UFIZOHSLNZPXJY-INIZCTEOSA-N 0 1 397.385 3.052 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1C ZINC000134618359 1417098569 /nfs/dbraw/zinc/09/85/69/1417098569.db2.gz SXFAIDDQUXCQTR-SFHVURJKSA-N 0 1 389.459 3.391 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1C ZINC000134618359 1417098577 /nfs/dbraw/zinc/09/85/77/1417098577.db2.gz SXFAIDDQUXCQTR-SFHVURJKSA-N 0 1 389.459 3.391 20 0 GGADMN COCCC1(CNC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)CCCC1 ZINC000134645988 1417104379 /nfs/dbraw/zinc/10/43/79/1417104379.db2.gz HJXNHPXNXBSJGJ-LJQANCHMSA-N 0 1 377.529 3.194 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)Cc1ccccc1 ZINC000134648046 1417104531 /nfs/dbraw/zinc/10/45/31/1417104531.db2.gz DMTVAHAFEZLPRR-SJLPKXTDSA-N 0 1 375.513 3.023 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCCCCO)c2cc(F)ccc2F)c1 ZINC000134659241 1417107536 /nfs/dbraw/zinc/10/75/36/1417107536.db2.gz RMJBMBWCGSCCIM-IBGZPJMESA-N 0 1 383.460 3.210 20 0 GGADMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)C1CC1 ZINC000134663486 1417108024 /nfs/dbraw/zinc/10/80/24/1417108024.db2.gz AOFISADSGLMWFW-VYDXJSESSA-N 0 1 379.545 3.154 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000134674422 1417110834 /nfs/dbraw/zinc/11/08/34/1417110834.db2.gz UKGMPCMOFSTSSX-UHFFFAOYSA-N 0 1 396.468 3.426 20 0 GGADMN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000134704915 1417114680 /nfs/dbraw/zinc/11/46/80/1417114680.db2.gz VHFCVUUKIRZQGT-OAQYLSRUSA-N 0 1 397.519 3.014 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cccc(Oc4nccs4)c3)CC2)c1 ZINC000134705775 1417114995 /nfs/dbraw/zinc/11/49/95/1417114995.db2.gz OOCDBFACJIZING-UHFFFAOYSA-N 0 1 396.472 3.301 20 0 GGADMN CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000134724164 1417117441 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CC(C)OC(=O)c1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000135181637 1417182948 /nfs/dbraw/zinc/18/29/48/1417182948.db2.gz UITYABFPGKSOJS-OAHLLOKOSA-N 0 1 390.505 3.092 20 0 GGADMN CN1CC[C@H](CNC(=O)C(F)(F)C2(O)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135210935 1417188539 /nfs/dbraw/zinc/18/85/39/1417188539.db2.gz OCOCBWRRVDEDAT-DOMZBBRYSA-N 0 1 390.833 3.138 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1F ZINC000135216884 1417190269 /nfs/dbraw/zinc/19/02/69/1417190269.db2.gz JLNDWXDZSZTMFL-UHFFFAOYSA-N 0 1 399.445 3.212 20 0 GGADMN Cc1c(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cccc1C(F)(F)F ZINC000135240438 1417194361 /nfs/dbraw/zinc/19/43/61/1417194361.db2.gz AZTXVTWHXWCPJY-KRWDZBQOSA-N 0 1 386.462 3.407 20 0 GGADMN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135268166 1417200106 /nfs/dbraw/zinc/20/01/06/1417200106.db2.gz HMCHFOBMSGNXOE-GXTWGEPZSA-N 0 1 392.393 3.103 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135286185 1417203081 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GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3CCCc4sccc43)n[nH]2)cc1 ZINC000135307663 1417205835 /nfs/dbraw/zinc/20/58/35/1417205835.db2.gz YZQICRXHWRRLCU-HNNXBMFYSA-N 0 1 383.477 3.419 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)c(F)cc3F)cc2)CCO1 ZINC000135327934 1417208125 /nfs/dbraw/zinc/20/81/25/1417208125.db2.gz ZWTXIYIRPDUKSD-LLVKDONJSA-N 0 1 386.395 3.130 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc4c3N=S=N4)cc2)CCO1 ZINC000135329847 1417208533 /nfs/dbraw/zinc/20/85/33/1417208533.db2.gz MHQNWVWHAQVMSL-LBPRGKRZSA-N 0 1 390.490 3.439 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c1 ZINC000135330153 1417208718 /nfs/dbraw/zinc/20/87/18/1417208718.db2.gz VIJVXYFFXMGURQ-ZDUSSCGKSA-N 0 1 396.896 3.375 20 0 GGADMN CCOc1ccc(CNC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1F ZINC000135353290 1417210564 /nfs/dbraw/zinc/21/05/64/1417210564.db2.gz PPNUDYRSZHSJBU-UHFFFAOYSA-N 0 1 377.435 3.425 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1OC ZINC000135403427 1417215331 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392.565 3.104 20 0 GGADMN COC(=O)C[C@H]1CCCN1Cn1nc(-c2ccc(Br)cc2)nc1C ZINC000178777019 1429167841 /nfs/dbraw/zinc/16/78/41/1429167841.db2.gz FBKQUEQDVWABPV-OAHLLOKOSA-N 0 1 393.285 3.001 20 0 GGADMN CSC[C@H]1CCCN1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000135479342 1417225465 /nfs/dbraw/zinc/22/54/65/1417225465.db2.gz RSCBUQXKPPSDCX-UZLBHIALSA-N 0 1 378.538 3.099 20 0 GGADMN O=C(c1cccc(Oc2nccs2)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000135485963 1417226478 /nfs/dbraw/zinc/22/64/78/1417226478.db2.gz UXPWMNDAALQMRX-INIZCTEOSA-N 0 1 387.505 3.120 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000135503584 1417230270 /nfs/dbraw/zinc/23/02/70/1417230270.db2.gz NKHDUATVXATYJD-MJXUCMMTSA-N 0 1 383.895 3.196 20 0 GGADMN C[C@@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)Oc1cccc(F)c1 ZINC000135516590 1417231975 /nfs/dbraw/zinc/23/19/75/1417231975.db2.gz GOLCQDVGICNYMI-AWEZNQCLSA-N 0 1 377.435 3.293 20 0 GGADMN O=C1CCc2cc(S(=O)(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)ccc2N1 ZINC000135516808 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20 0 GGADMN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000135579061 1417239566 /nfs/dbraw/zinc/23/95/66/1417239566.db2.gz VPXGPTQBMLGOPX-UHFFFAOYSA-N 0 1 390.443 3.110 20 0 GGADMN O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCOC2(CCOCC2)C1 ZINC000135594329 1417242072 /nfs/dbraw/zinc/24/20/72/1417242072.db2.gz BZHNOQXMVLGLOC-QFIPXVFZSA-N 0 1 397.515 3.035 20 0 GGADMN CC1CCN(CC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000135594705 1417242160 /nfs/dbraw/zinc/24/21/60/1417242160.db2.gz HFTLXMOIBHHIAH-KRWDZBQOSA-N 0 1 386.471 3.314 20 0 GGADMN COc1cccc(CO[C@@H](C)C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC000135622742 1417248763 /nfs/dbraw/zinc/24/87/63/1417248763.db2.gz CHFVIGHPVPHBDY-KRWDZBQOSA-N 0 1 398.503 3.196 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccn(-c2ccccc2F)n1 ZINC000135627546 1417249450 /nfs/dbraw/zinc/24/94/50/1417249450.db2.gz GQTOGIOZSOEOHM-UHFFFAOYSA-N 0 1 394.450 3.220 20 0 GGADMN CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC000135625519 1417249548 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Cc1ccnc(-n2nccc2NC(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000135698270 1417259567 /nfs/dbraw/zinc/25/95/67/1417259567.db2.gz YIXYZPMXTVEYLC-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc3ncccc32)ccc1Cl ZINC000135736593 1417263915 /nfs/dbraw/zinc/26/39/15/1417263915.db2.gz XYSRNMLAEOMWON-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN COc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1Cl ZINC000135794381 1417268524 /nfs/dbraw/zinc/26/85/24/1417268524.db2.gz PVYQOBGJIODAPJ-UHFFFAOYSA-N 0 1 375.837 3.360 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCN(c2cccc(O)c2)CC1 ZINC000135825255 1417271694 /nfs/dbraw/zinc/27/16/94/1417271694.db2.gz GOJVHNRQYWLVJS-FQEVSTJZSA-N 0 1 398.507 3.044 20 0 GGADMN Cc1c(CNC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1C ZINC000135909348 1417277296 /nfs/dbraw/zinc/27/72/96/1417277296.db2.gz QRWLTSDKAGEJMF-KBXCAEBGSA-N 0 1 393.894 3.013 20 0 GGADMN Cc1c(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1C ZINC000135909348 1417277304 /nfs/dbraw/zinc/27/73/04/1417277304.db2.gz QRWLTSDKAGEJMF-KBXCAEBGSA-N 0 1 393.894 3.013 20 0 GGADMN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccccc1OC(F)(F)F ZINC000135942560 1417280210 /nfs/dbraw/zinc/28/02/10/1417280210.db2.gz DRWSLPNRJMUMLY-UHFFFAOYSA-N 0 1 385.323 3.436 20 0 GGADMN CCCOc1cccc(CCNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000136013551 1417286384 /nfs/dbraw/zinc/28/63/84/1417286384.db2.gz KPHXJUHGPZBRJK-UHFFFAOYSA-N 0 1 396.535 3.377 20 0 GGADMN CCOc1c(OC)cc(CNC(C)(C)C(=O)NCC2CCCC2)cc1OC ZINC000136029173 1417286948 /nfs/dbraw/zinc/28/69/48/1417286948.db2.gz SJKYISGTMKJLBZ-UHFFFAOYSA-N 0 1 378.513 3.277 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(Cc2ccccc2)CCC1 ZINC000136088576 1417290210 /nfs/dbraw/zinc/29/02/10/1417290210.db2.gz ZLCUCTODPBBJNO-UHFFFAOYSA-N 0 1 394.519 3.382 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136087562 1417290581 /nfs/dbraw/zinc/29/05/81/1417290581.db2.gz RKWWRSUVYMVYIA-HNNXBMFYSA-N 0 1 396.394 3.200 20 0 GGADMN COc1ccc(CNC2(c3ccc(F)cc3F)CCC2)cc1OCC(N)=O ZINC000136135955 1417294916 /nfs/dbraw/zinc/29/49/16/1417294916.db2.gz JIEFBUFVVNAVDN-UHFFFAOYSA-N 0 1 376.403 3.007 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820705931 1429173294 /nfs/dbraw/zinc/17/32/94/1429173294.db2.gz WZIYJZGAUPRHFK-MOPGFXCFSA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820705931 1429173300 /nfs/dbraw/zinc/17/33/00/1429173300.db2.gz WZIYJZGAUPRHFK-MOPGFXCFSA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820705931 1429173306 /nfs/dbraw/zinc/17/33/06/1429173306.db2.gz WZIYJZGAUPRHFK-MOPGFXCFSA-N 0 1 398.555 3.222 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(Br)n1 ZINC000136169102 1417297552 /nfs/dbraw/zinc/29/75/52/1417297552.db2.gz SJZHHBPVGXPYNP-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN CO[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000178797173 1429173304 /nfs/dbraw/zinc/17/33/04/1429173304.db2.gz AVSJQZICEJCYMW-UWJYYQICSA-N 0 1 382.508 3.294 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(C)CCOc2ccccc2F)cc1F ZINC000136180601 1417298585 /nfs/dbraw/zinc/29/85/85/1417298585.db2.gz JUKWRWKJGXGAJX-UHFFFAOYSA-N 0 1 377.435 3.247 20 0 GGADMN Cc1[nH]c(SCC(=O)NCCCNc2ccccn2)nc1Cc1ccccc1 ZINC000136175428 1417298751 /nfs/dbraw/zinc/29/87/51/1417298751.db2.gz OEKBGMBYYARNID-UHFFFAOYSA-N 0 1 395.532 3.414 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)cc1F ZINC000136198553 1417300058 /nfs/dbraw/zinc/30/00/58/1417300058.db2.gz KZBCPAYQFVRVTG-SFHVURJKSA-N 0 1 377.485 3.232 20 0 GGADMN Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(CN(C)C)c(F)c2)CCO1 ZINC000136216840 1417301832 /nfs/dbraw/zinc/30/18/32/1417301832.db2.gz GYKLXVQHOPCYJF-NRFANRHFSA-N 0 1 385.483 3.479 20 0 GGADMN CC1CCN(CC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000136230184 1417303230 /nfs/dbraw/zinc/30/32/30/1417303230.db2.gz MZIXOBWMDOVDGM-UHFFFAOYSA-N 0 1 376.504 3.433 20 0 GGADMN CCc1ccc([C@H]2COCCN2C(=O)NCc2ccc(CN(C)C)c(F)c2)o1 ZINC000136232625 1417303502 /nfs/dbraw/zinc/30/35/02/1417303502.db2.gz LERRAXSWAPKHCD-LJQANCHMSA-N 0 1 389.471 3.326 20 0 GGADMN CC[C@@H](C(=O)N1CCC(NC(=O)CN2CCC(C)CC2)CC1)c1ccccc1 ZINC000136239119 1417303736 /nfs/dbraw/zinc/30/37/36/1417303736.db2.gz QLZHFLNMWJXGJL-OAQYLSRUSA-N 0 1 385.552 3.019 20 0 GGADMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000136248695 1417304904 /nfs/dbraw/zinc/30/49/04/1417304904.db2.gz GPKSVAFRVHQIRI-QVKFZJNVSA-N 0 1 385.483 3.421 20 0 GGADMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000136248660 1417305362 /nfs/dbraw/zinc/30/53/62/1417305362.db2.gz GPKSVAFRVHQIRI-YCRPNKLZSA-N 0 1 385.483 3.421 20 0 GGADMN O=C(c1ccccc1NCc1ccco1)N1CCC(CN2CCOCC2)CC1 ZINC000136282781 1417306755 /nfs/dbraw/zinc/30/67/55/1417306755.db2.gz PCXWAAVCCJTNFU-UHFFFAOYSA-N 0 1 383.492 3.076 20 0 GGADMN Cn1ccnc1C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000136300230 1417308015 /nfs/dbraw/zinc/30/80/15/1417308015.db2.gz LCDJYDZDFUFCTG-RTBURBONSA-N 0 1 399.539 3.204 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCO[C@@H](C)[C@H]2C)N2CCCCC2)cc1 ZINC000136310188 1417308847 /nfs/dbraw/zinc/30/88/47/1417308847.db2.gz VLIYZGMRJKXZME-UWVAXJGDSA-N 0 1 375.513 3.041 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCc3c(F)cc(F)cc3C2)N(C)C)c1 ZINC000136370231 1417311989 /nfs/dbraw/zinc/31/19/89/1417311989.db2.gz YAKAUPDYIOGXBM-HXUWFJFHSA-N 0 1 389.446 3.344 20 0 GGADMN Cc1ccn(-c2ccccc2CNCc2c(C)nn(C)c2OCC(F)(F)F)n1 ZINC000136394725 1417313859 /nfs/dbraw/zinc/31/38/59/1417313859.db2.gz WPAPHEROUYXUQU-UHFFFAOYSA-N 0 1 393.413 3.454 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c(F)c1 ZINC000136415238 1417314864 /nfs/dbraw/zinc/31/48/64/1417314864.db2.gz QVWNYUKEVASZCY-QGZVFWFLSA-N 0 1 385.439 3.166 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136469336 1417319670 /nfs/dbraw/zinc/31/96/70/1417319670.db2.gz ZKOYSFYVIYBRCA-MAUKXSAKSA-N 0 1 393.894 3.047 20 0 GGADMN C[C@@H]1OCCN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)[C@H]1C ZINC000136474690 1417319990 /nfs/dbraw/zinc/31/99/90/1417319990.db2.gz DWFIUUUCKPENFV-BWQRHGBYSA-N 0 1 383.895 3.291 20 0 GGADMN CN(CCn1cccn1)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136473491 1417320196 /nfs/dbraw/zinc/32/01/96/1417320196.db2.gz KMAOBNQHWASJKA-QAPCUYQASA-N 0 1 393.894 3.010 20 0 GGADMN COc1ccc2oc([C@H](C)N[C@H]3CCCN(c4cnn(C)c4)C3=O)c(C)c2c1 ZINC000178803265 1429175339 /nfs/dbraw/zinc/17/53/39/1429175339.db2.gz OHWYJPNTPAOIMU-KSSFIOAISA-N 0 1 382.464 3.330 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc3c(c2)CCO3)CC1 ZINC000178807649 1429176376 /nfs/dbraw/zinc/17/63/76/1429176376.db2.gz XCAZRVIYSBHKIR-KRWDZBQOSA-N 0 1 394.519 3.084 20 0 GGADMN COC(=O)c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136681243 1417337800 /nfs/dbraw/zinc/33/78/00/1417337800.db2.gz FVWIMENZLGNLRB-INIZCTEOSA-N 0 1 390.365 3.489 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136676248 1417338102 /nfs/dbraw/zinc/33/81/02/1417338102.db2.gz QVGIZKAFORAALT-NVXWUHKLSA-N 0 1 395.429 3.294 20 0 GGADMN CNC(=O)c1ccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136685691 1417338373 /nfs/dbraw/zinc/33/83/73/1417338373.db2.gz UKAXQTRQHWZNBU-MRXNPFEDSA-N 0 1 389.381 3.062 20 0 GGADMN CC(=O)Nc1nc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cs1 ZINC000136690215 1417339280 /nfs/dbraw/zinc/33/92/80/1417339280.db2.gz FGSUOXKNZHMUIS-CYBMUJFWSA-N 0 1 396.398 3.118 20 0 GGADMN CCC(C)(C)NC(=O)[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136695973 1417339653 /nfs/dbraw/zinc/33/96/53/1417339653.db2.gz NSIYJFTWSCNHIM-FZMZJTMJSA-N 0 1 383.418 3.196 20 0 GGADMN C[C@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000136698685 1417340001 /nfs/dbraw/zinc/34/00/01/1417340001.db2.gz FDIZJKCXDDFCJJ-BLLLJJGKSA-N 0 1 395.429 3.340 20 0 GGADMN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136696066 1417340038 /nfs/dbraw/zinc/34/00/38/1417340038.db2.gz NSIYJFTWSCNHIM-SMDDNHRTSA-N 0 1 383.418 3.196 20 0 GGADMN O=C(CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000136707104 1417341005 /nfs/dbraw/zinc/34/10/05/1417341005.db2.gz VFTDXHVSLGXCBP-MRXNPFEDSA-N 0 1 393.344 3.280 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000136722331 1417341360 /nfs/dbraw/zinc/34/13/60/1417341360.db2.gz MIXMHQASWCXDFL-SMDDNHRTSA-N 0 1 397.401 3.230 20 0 GGADMN CN(Cc1ccccc1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1)C1CCCCC1 ZINC000136725716 1417341428 /nfs/dbraw/zinc/34/14/28/1417341428.db2.gz GVZBEIXUMDACJC-FQEVSTJZSA-N 0 1 393.553 3.150 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000136722432 1417341672 /nfs/dbraw/zinc/34/16/72/1417341672.db2.gz MIXMHQASWCXDFL-BXUZGUMPSA-N 0 1 397.401 3.230 20 0 GGADMN CCOc1ccccc1NC(=O)CCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000136737939 1417342707 /nfs/dbraw/zinc/34/27/07/1417342707.db2.gz NJDHFBBZUQVPLN-UHFFFAOYSA-N 0 1 388.899 3.285 20 0 GGADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000136744995 1417342729 /nfs/dbraw/zinc/34/27/29/1417342729.db2.gz BXHDKGNSVJXTMI-PMACEKPBSA-N 0 1 388.556 3.281 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1cccs1 ZINC000136741806 1417342838 /nfs/dbraw/zinc/34/28/38/1417342838.db2.gz AGLGAGRIJVCWHP-INIZCTEOSA-N 0 1 383.473 3.371 20 0 GGADMN CC1CCC(N(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C2CC2)CC1 ZINC000136757473 1417343763 /nfs/dbraw/zinc/34/37/63/1417343763.db2.gz ARHFSTNCCFBXSM-UHFFFAOYSA-N 0 1 385.556 3.086 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccc(Br)n2)N2CCCC2)o1 ZINC000136807466 1417347232 /nfs/dbraw/zinc/34/72/32/1417347232.db2.gz KLRWDXIOXOMNAY-AWEZNQCLSA-N 0 1 378.270 3.312 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000178808937 1429177409 /nfs/dbraw/zinc/17/74/09/1429177409.db2.gz QHCJMLMXCAANBA-KRWDZBQOSA-N 0 1 379.508 3.376 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C[C@H]1C ZINC000136846832 1417350172 /nfs/dbraw/zinc/35/01/72/1417350172.db2.gz WBKYCDBNWFSSHH-HUUCEWRRSA-N 0 1 379.476 3.066 20 0 GGADMN C[C@@](O)(CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1 ZINC000136853836 1417350775 /nfs/dbraw/zinc/35/07/75/1417350775.db2.gz POPIEJVPANAZOF-GHTZIAJQSA-N 0 1 389.471 3.153 20 0 GGADMN C[C@@H]1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000136862715 1417351341 /nfs/dbraw/zinc/35/13/41/1417351341.db2.gz NUJUMDRPNHSZQX-MRXNPFEDSA-N 0 1 389.446 3.462 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CCO1 ZINC000136913735 1417354192 /nfs/dbraw/zinc/35/41/92/1417354192.db2.gz XNRVSJYJFBOEQG-PKOBYXMFSA-N 0 1 375.513 3.043 20 0 GGADMN Cc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)c(OC[C@@H]2CCCO2)c1 ZINC000136916529 1417354610 /nfs/dbraw/zinc/35/46/10/1417354610.db2.gz XILWVELWXMFBMQ-INIZCTEOSA-N 0 1 383.423 3.498 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@](C)(CC)CCO)CC1 ZINC000136951779 1417357360 /nfs/dbraw/zinc/35/73/60/1417357360.db2.gz GBIWIUDLHDATDB-LJQANCHMSA-N 0 1 382.936 3.155 20 0 GGADMN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000136977656 1417359330 /nfs/dbraw/zinc/35/93/30/1417359330.db2.gz VKOJDEUHGCREOH-UHFFFAOYSA-N 0 1 385.427 3.165 20 0 GGADMN COCCOc1cc(C(=O)N2CCN(C)CC23CCCCC3)nc2ccccc21 ZINC000136979662 1417359371 /nfs/dbraw/zinc/35/93/71/1417359371.db2.gz PCJKSPFBKRWWDM-UHFFFAOYSA-N 0 1 397.519 3.351 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC1CCC(OC)CC1 ZINC000136998187 1417361306 /nfs/dbraw/zinc/36/13/06/1417361306.db2.gz ZUMMPEZTUBGPFR-UHFFFAOYSA-N 0 1 389.540 3.371 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)N2CCCC2)o1 ZINC000137128638 1417369903 /nfs/dbraw/zinc/36/99/03/1417369903.db2.gz JCFGYAMYKMAZDZ-GOSISDBHSA-N 0 1 385.439 3.179 20 0 GGADMN CCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1C ZINC000137137726 1417370590 /nfs/dbraw/zinc/37/05/90/1417370590.db2.gz MLJIDZJDAUZALY-UHFFFAOYSA-N 0 1 394.519 3.193 20 0 GGADMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000137163471 1417371939 /nfs/dbraw/zinc/37/19/39/1417371939.db2.gz ANVSEMUGMOVALP-UAOJZALGSA-N 0 1 391.462 3.379 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(C)nc2N(C)C)c(Br)c1 ZINC000137203616 1417374768 /nfs/dbraw/zinc/37/47/68/1417374768.db2.gz PJHRFWGGFBJBRW-UHFFFAOYSA-N 0 1 384.299 3.328 20 0 GGADMN CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)CN1CCC(C)CC1 ZINC000137388020 1417383364 /nfs/dbraw/zinc/38/33/64/1417383364.db2.gz NTMGEYWKJROJIP-UHFFFAOYSA-N 0 1 398.507 3.274 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)o1 ZINC000137423422 1417384232 /nfs/dbraw/zinc/38/42/32/1417384232.db2.gz CINGHOFUPQJBPE-NRFANRHFSA-N 0 1 397.519 3.302 20 0 GGADMN C[C@H](NC(=O)CN1CCC(C)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000137448229 1417386296 /nfs/dbraw/zinc/38/62/96/1417386296.db2.gz IWGVKAWYVFCLFL-KRWDZBQOSA-N 0 1 380.492 3.243 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(CN3CCN(C)CC3)c2)o1 ZINC000137463874 1417387096 /nfs/dbraw/zinc/38/70/96/1417387096.db2.gz JXBQVVUJTRJELR-NRFANRHFSA-N 0 1 397.519 3.151 20 0 GGADMN 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O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc(N2CCNC2=O)c1 ZINC000146022524 1417707236 /nfs/dbraw/zinc/70/72/36/1417707236.db2.gz QZWFGXQFHFPTTE-UHFFFAOYSA-N 0 1 396.516 3.017 20 0 GGADMN CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000146039684 1417708018 /nfs/dbraw/zinc/70/80/18/1417708018.db2.gz WVTCSADKIIVLSU-UHFFFAOYSA-N 0 1 393.553 3.479 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(CN2CCSCC2)c1)NC(=O)c1ccccc1 ZINC000146042271 1417708740 /nfs/dbraw/zinc/70/87/40/1417708740.db2.gz XRKACZWVZQXAOB-KRWDZBQOSA-N 0 1 397.544 3.383 20 0 GGADMN COc1nc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc2ccccc21 ZINC000146725495 1417729652 /nfs/dbraw/zinc/72/96/52/1417729652.db2.gz OPIHCQCZMGNFLK-CQSZACIVSA-N 0 1 381.413 3.042 20 0 GGADMN COc1nc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc2ccccc21 ZINC000146725495 1417729659 /nfs/dbraw/zinc/72/96/59/1417729659.db2.gz OPIHCQCZMGNFLK-CQSZACIVSA-N 0 1 381.413 3.042 20 0 GGADMN COc1nc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc2ccccc21 ZINC000146725297 1417729795 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GGADMN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)C(F)(F)c1ccc(F)cc1 ZINC000147487633 1417748014 /nfs/dbraw/zinc/74/80/14/1417748014.db2.gz RZJMXEGFBDVJLL-UHFFFAOYSA-N 0 1 388.271 3.295 20 0 GGADMN COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cccc(CN3CCSCC3)c1)C2 ZINC000147814331 1417754294 /nfs/dbraw/zinc/75/42/94/1417754294.db2.gz QRALATCLEAGEOD-SFHVURJKSA-N 0 1 398.528 3.434 20 0 GGADMN Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F ZINC000148320571 1417762169 /nfs/dbraw/zinc/76/21/69/1417762169.db2.gz IGPKZVIHTDOMTR-LLVKDONJSA-N 0 1 379.457 3.117 20 0 GGADMN CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc3cccc(C)c3o2)cc1 ZINC000148325007 1417762232 /nfs/dbraw/zinc/76/22/32/1417762232.db2.gz FZQJTRMWTLEITH-AWEZNQCLSA-N 0 1 382.416 3.368 20 0 GGADMN CCOCCOc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1 ZINC000148468311 1417764489 /nfs/dbraw/zinc/76/44/89/1417764489.db2.gz HXIMZLFPUVDRBJ-UHFFFAOYSA-N 0 1 399.472 3.360 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000149088941 1417771995 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CC(C)[C@@H]1CN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCS1 ZINC000152058061 1418132714 /nfs/dbraw/zinc/13/27/14/1418132714.db2.gz SQEBBERWSNAAGY-APWZRJJASA-N 0 1 376.570 3.390 20 0 GGADMN CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000152061982 1418133854 /nfs/dbraw/zinc/13/38/54/1418133854.db2.gz BUGFTTWMMRMZTR-SFHVURJKSA-N 0 1 389.540 3.037 20 0 GGADMN Cc1ccc([C@@H](CNCc2nc3c(s2)C[C@@H](C)CC3)N2CCOCC2)o1 ZINC000152063180 1418134326 /nfs/dbraw/zinc/13/43/26/1418134326.db2.gz PWQHLAZQMDCUJG-WMLDXEAASA-N 0 1 375.538 3.332 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)N[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000152070422 1418136938 /nfs/dbraw/zinc/13/69/38/1418136938.db2.gz HXICBZQVEGDDSW-SVMVAKDDSA-N 0 1 382.504 3.182 20 0 GGADMN CC[C@@H](C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1)N(C)C ZINC000152092848 1418142778 /nfs/dbraw/zinc/14/27/78/1418142778.db2.gz BGTXYDJKXLQMPA-AWEZNQCLSA-N 0 1 396.278 3.314 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCCCC[C@H]1c1ccco1)N1CCN(C)CC1 ZINC000152094356 1418143502 /nfs/dbraw/zinc/14/35/02/1418143502.db2.gz GLOAUWMIOGHGDP-RBUKOAKNSA-N 0 1 376.545 3.178 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)N1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000152093108 1418143621 /nfs/dbraw/zinc/14/36/21/1418143621.db2.gz MVQKKIPRSCMPFM-ZHRRBRCNSA-N 0 1 396.487 3.114 20 0 GGADMN COCCN(Cc1ccccc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000152108984 1418147303 /nfs/dbraw/zinc/14/73/03/1418147303.db2.gz ZGNCOUOTBHLYCP-IBGZPJMESA-N 0 1 396.535 3.465 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CCOCc2ccccc2)CC1 ZINC000152133877 1418153662 /nfs/dbraw/zinc/15/36/62/1418153662.db2.gz GADQDGIMDGNOPW-IBGZPJMESA-N 0 1 396.535 3.465 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)CC1(O)CCCC1 ZINC000152135387 1418153833 /nfs/dbraw/zinc/15/38/33/1418153833.db2.gz FZNAURPGPSMSMB-MRXNPFEDSA-N 0 1 387.505 3.256 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000178995320 1429238019 /nfs/dbraw/zinc/23/80/19/1429238019.db2.gz LOUAZIWNQUXPMC-QGZVFWFLSA-N 0 1 387.911 3.489 20 0 GGADMN CC(C)c1ccc(CCNC(=O)CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000152144297 1418156901 /nfs/dbraw/zinc/15/69/01/1418156901.db2.gz RGJXGSUKQLUXRK-HXUWFJFHSA-N 0 1 395.551 3.344 20 0 GGADMN CCc1c(NC(=O)c2ccc(CC)c(S(C)(=O)=O)c2)[nH]nc1-c1ccncc1 ZINC000152151229 1418158682 /nfs/dbraw/zinc/15/86/82/1418158682.db2.gz OHLSEHYJBSRZDX-UHFFFAOYSA-N 0 1 398.488 3.252 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@@H](O)c2ccccc2)CC1 ZINC000152162146 1418162121 /nfs/dbraw/zinc/16/21/21/1418162121.db2.gz BTQBDAJFKLZZPW-DYESRHJHSA-N 0 1 382.508 3.030 20 0 GGADMN C[C@H](NC(=O)[C@H]1NCCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152173852 1418164947 /nfs/dbraw/zinc/16/49/47/1418164947.db2.gz WHHJEOWFERPKDE-XOBRGWDASA-N 0 1 378.476 3.035 20 0 GGADMN C[C@H](NC(=O)[C@@H]1NCCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000152174016 1418165086 /nfs/dbraw/zinc/16/50/86/1418165086.db2.gz WHHJEOWFERPKDE-VBKZILBWSA-N 0 1 378.476 3.035 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC1(O)CCCC1 ZINC000152177141 1418165645 /nfs/dbraw/zinc/16/56/45/1418165645.db2.gz RPKRYVDLTJLWTC-UHFFFAOYSA-N 0 1 381.476 3.114 20 0 GGADMN COC(=O)[C@@H](Nc1ccc(NC(=O)CN2CCCCCC2)cc1)c1cccnc1 ZINC000152186170 1418167857 /nfs/dbraw/zinc/16/78/57/1418167857.db2.gz ZILLNDBORDADJL-NRFANRHFSA-N 0 1 396.491 3.222 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3ccnn3CC(C)C)[nH]c2c1 ZINC000152194161 1418170432 /nfs/dbraw/zinc/17/04/32/1418170432.db2.gz DKDZVKFBCCRKTF-KRWDZBQOSA-N 0 1 394.479 3.026 20 0 GGADMN O=C(Nc1cccc(Cl)c1)N1CCCN(CCOC[C@@H]2CCCO2)CC1 ZINC000152207481 1418173307 /nfs/dbraw/zinc/17/33/07/1418173307.db2.gz YWZBRSBLYMSCOY-SFHVURJKSA-N 0 1 381.904 3.075 20 0 GGADMN Cc1ccccc1Cc1nnc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000152224003 1418177557 /nfs/dbraw/zinc/17/75/57/1418177557.db2.gz RQIUEKNXIIKYAN-KRWDZBQOSA-N 0 1 378.480 3.344 20 0 GGADMN Cc1ccccc1Cc1nnc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)o1 ZINC000152224003 1418177563 /nfs/dbraw/zinc/17/75/63/1418177563.db2.gz RQIUEKNXIIKYAN-KRWDZBQOSA-N 0 1 378.480 3.344 20 0 GGADMN C[C@H](N[C@@H]1CCCc2occc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152241695 1418181874 /nfs/dbraw/zinc/18/18/74/1418181874.db2.gz DGKBYPSGKXNCPK-HNAYVOBHSA-N 0 1 390.505 3.029 20 0 GGADMN O=C(Cc1csc(N2CCCC2=O)n1)NOCc1ccc(C(F)(F)F)cc1 ZINC000152243696 1418181963 /nfs/dbraw/zinc/18/19/63/1418181963.db2.gz HMEMUKAHAIBLFU-UHFFFAOYSA-N 0 1 399.394 3.079 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152263777 1418188501 /nfs/dbraw/zinc/18/85/01/1418188501.db2.gz WMIGNWSSCVJBRW-APWZRJJASA-N 0 1 381.524 3.217 20 0 GGADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000152278530 1418193090 /nfs/dbraw/zinc/19/30/90/1418193090.db2.gz CHYCWXPTBKRBGS-BEFAXECRSA-N 0 1 390.505 3.029 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)CC2(O)CCCC2)cs1 ZINC000152284432 1418194980 /nfs/dbraw/zinc/19/49/80/1418194980.db2.gz ZMGWFQRYASVDEF-UHFFFAOYSA-N 0 1 385.533 3.245 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)C2=O)cc1 ZINC000152295113 1418197363 /nfs/dbraw/zinc/19/73/63/1418197363.db2.gz UQSABOKRAVVKFX-PKOBYXMFSA-N 0 1 379.508 3.366 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)NCc2ccc(Oc3ccccc3)nc2)C[C@@H]1C ZINC000179014489 1429242566 /nfs/dbraw/zinc/24/25/66/1429242566.db2.gz BMKMGBDSKVGILN-HDICACEKSA-N 0 1 398.507 3.125 20 0 GGADMN CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825653311 1429243311 /nfs/dbraw/zinc/24/33/11/1429243311.db2.gz AFYAHFIIUUQCED-OLZOCXBDSA-N 0 1 398.467 3.153 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc3c2OCCO3)CC1 ZINC000179017066 1429243315 /nfs/dbraw/zinc/24/33/15/1429243315.db2.gz OSMWFJUYRNLHGT-HNNXBMFYSA-N 0 1 382.464 3.200 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000179047010 1429249773 /nfs/dbraw/zinc/24/97/73/1429249773.db2.gz DYHKOEGAGAUNEV-UHFFFAOYSA-N 0 1 389.503 3.295 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)C[C@H]2CSCCS2)CC1 ZINC000179055136 1429250964 /nfs/dbraw/zinc/25/09/64/1429250964.db2.gz WZKVEWTWEVFIQQ-AWEZNQCLSA-N 0 1 385.986 3.269 20 0 GGADMN COc1cc(CNCc2cccc(N(C)C)n2)ccc1OCc1ccncc1 ZINC000179031614 1429246919 /nfs/dbraw/zinc/24/69/19/1429246919.db2.gz ZTOREXHMIXNADU-UHFFFAOYSA-N 0 1 378.476 3.420 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC[C@H]3C[C@H](C)O)n2)cc1 ZINC000179071364 1429254405 /nfs/dbraw/zinc/25/44/05/1429254405.db2.gz TXSHCHGSYMTDAN-DZKIICNBSA-N 0 1 389.521 3.381 20 0 GGADMN c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NC1CC[NH+](C2CCCCC2)CC1 ZINC000823797471 1429256439 /nfs/dbraw/zinc/25/64/39/1429256439.db2.gz PXARUWFRNZAYHU-UHFFFAOYSA-N 0 1 377.496 3.046 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000824563824 1429257302 /nfs/dbraw/zinc/25/73/02/1429257302.db2.gz QIETVPBLNAPXSE-SNVBAGLBSA-N 0 1 391.262 3.463 20 0 GGADMN CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)c2C1 ZINC000735810910 1429263164 /nfs/dbraw/zinc/26/31/64/1429263164.db2.gz AFOKLGIOVKXYNJ-UHFFFAOYSA-N 0 1 376.464 3.481 20 0 GGADMN COc1ccc(C[C@H](C)CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000179113325 1429266610 /nfs/dbraw/zinc/26/66/10/1429266610.db2.gz UZMGPECEHUQRFG-SFHVURJKSA-N 0 1 396.535 3.233 20 0 GGADMN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(Cl)nc1 ZINC000179114954 1429267596 /nfs/dbraw/zinc/26/75/96/1429267596.db2.gz WXPMXXGWPKJDFG-MRXNPFEDSA-N 0 1 375.900 3.297 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc2scnc2c1 ZINC000179129276 1429271305 /nfs/dbraw/zinc/27/13/05/1429271305.db2.gz GFVFZBCSJOWJBP-IAGOWNOFSA-N 0 1 382.489 3.053 20 0 GGADMN COc1ccc(CCCC(=O)NCCN2CCc3ccccc3C2)c(OC)c1 ZINC000179128637 1429271739 /nfs/dbraw/zinc/27/17/39/1429271739.db2.gz IQUPVLCYBFIWHZ-UHFFFAOYSA-N 0 1 382.504 3.201 20 0 GGADMN COC(=O)C[C@H]1CCCN1CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000179142114 1429276073 /nfs/dbraw/zinc/27/60/73/1429276073.db2.gz CZBADTRMRVJNHZ-QUCCMNQESA-N 0 1 388.508 3.166 20 0 GGADMN c1nc([C@H]2CCCO2)sc1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868284 1429279038 /nfs/dbraw/zinc/27/90/38/1429279038.db2.gz UOCBSKLVOJDUNS-GOSISDBHSA-N 0 1 394.504 3.464 20 0 GGADMN c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868284 1429279043 /nfs/dbraw/zinc/27/90/43/1429279043.db2.gz UOCBSKLVOJDUNS-GOSISDBHSA-N 0 1 394.504 3.464 20 0 GGADMN COC(=O)C[C@H]1CCCN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000179151324 1429279103 /nfs/dbraw/zinc/27/91/03/1429279103.db2.gz REQXCOLDCWSSAU-HXUWFJFHSA-N 0 1 380.488 3.262 20 0 GGADMN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179154871 1429279719 /nfs/dbraw/zinc/27/97/19/1429279719.db2.gz JEDDSPYEAFRVEU-INIZCTEOSA-N 0 1 385.895 3.196 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC2(O)CCCC2)CC1 ZINC000179160994 1429281913 /nfs/dbraw/zinc/28/19/13/1429281913.db2.gz QNZROWLMQHQUKY-UHFFFAOYSA-N 0 1 394.947 3.251 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cn3cnc(-c4ccccc4)n3)[nH]c2c1 ZINC000179171293 1429284404 /nfs/dbraw/zinc/28/44/04/1429284404.db2.gz MMZAMWUNGFOTKO-IBGZPJMESA-N 0 1 386.459 3.494 20 0 GGADMN C[C@@]1(c2ccccc2)CC(=O)N(CN2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000179182880 1429288349 /nfs/dbraw/zinc/28/83/49/1429288349.db2.gz PAIJHLNOQYZLKI-RDPSFJRHSA-N 0 1 392.499 3.199 20 0 GGADMN O=C1NC2(CCCCCC2)C(=O)N1CNC1(c2cccc(F)c2)CCOCC1 ZINC000179184593 1429288408 /nfs/dbraw/zinc/28/84/08/1429288408.db2.gz PAKTVTKOBPITDO-UHFFFAOYSA-N 0 1 389.471 3.023 20 0 GGADMN Cc1c(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)cnn1C1CCCC1 ZINC000179189688 1429290354 /nfs/dbraw/zinc/29/03/54/1429290354.db2.gz CYFILOYFNZUOQA-UHFFFAOYSA-N 0 1 397.504 3.341 20 0 GGADMN CC[NH+](CC)CCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736530227 1429291796 /nfs/dbraw/zinc/29/17/96/1429291796.db2.gz GQKZTRIUMYGTLL-UHFFFAOYSA-N 0 1 395.467 3.122 20 0 GGADMN COCc1cccc(CN(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000179204342 1429293614 /nfs/dbraw/zinc/29/36/14/1429293614.db2.gz HFUVEOYWVRLFIR-UHFFFAOYSA-N 0 1 377.506 3.137 20 0 GGADMN CN(C)C(=O)[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC000179229340 1429299994 /nfs/dbraw/zinc/29/99/94/1429299994.db2.gz OIYYNLUHXCHOBK-DNVCBOLYSA-N 0 1 375.875 3.477 20 0 GGADMN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1c(O)cc(Cl)cc1Cl ZINC000179236239 1429302086 /nfs/dbraw/zinc/30/20/86/1429302086.db2.gz OVVAZNQOSRKLHK-CYBMUJFWSA-N 0 1 393.270 3.478 20 0 GGADMN CN1CC[C@H](CNC(=O)NCCCn2ccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247488 1429304476 /nfs/dbraw/zinc/30/44/76/1429304476.db2.gz NYWBNCZWHYDOBI-QAPCUYQASA-N 0 1 393.894 3.058 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccnc1C(F)(F)F ZINC000179254267 1429305915 /nfs/dbraw/zinc/30/59/15/1429305915.db2.gz JYLNJMPXEZAVCU-UHFFFAOYSA-N 0 1 378.398 3.413 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1 ZINC000179281003 1429313169 /nfs/dbraw/zinc/31/31/69/1429313169.db2.gz ICRJBJYVDMJHQL-UHFFFAOYSA-N 0 1 378.432 3.314 20 0 GGADMN O=C(Nc1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cc1)c1ccco1 ZINC000179277985 1429311957 /nfs/dbraw/zinc/31/19/57/1429311957.db2.gz QTGDZDKABOPYSJ-UHFFFAOYSA-N 0 1 387.399 3.247 20 0 GGADMN COCc1cccc(S(=O)(=O)NC(C)(C)CN(C)Cc2ccccc2)c1 ZINC000179285507 1429314537 /nfs/dbraw/zinc/31/45/37/1429314537.db2.gz BPFBZHFHSNNIRW-UHFFFAOYSA-N 0 1 376.522 3.022 20 0 GGADMN CCN(CC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000736537166 1429318265 /nfs/dbraw/zinc/31/82/65/1429318265.db2.gz RQSZYASQJZDMPE-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN CC[N@H+](CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736537166 1429318274 /nfs/dbraw/zinc/31/82/74/1429318274.db2.gz RQSZYASQJZDMPE-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN CC[N@@H+](CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000736537166 1429318281 /nfs/dbraw/zinc/31/82/81/1429318281.db2.gz RQSZYASQJZDMPE-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN Cc1cncc(CNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000179299140 1429319552 /nfs/dbraw/zinc/31/95/52/1429319552.db2.gz FHKPZUFMGGYDTC-INIZCTEOSA-N 0 1 380.492 3.005 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360321 1429321793 /nfs/dbraw/zinc/32/17/93/1429321793.db2.gz GDFPGRHVVSCHDI-QGZVFWFLSA-N 0 1 375.436 3.197 20 0 GGADMN CC(C)Cn1ncc(C(=O)NC2CCN(Cc3ccncc3)CC2)c1C1CC1 ZINC000179313405 1429324791 /nfs/dbraw/zinc/32/47/91/1429324791.db2.gz YIXXIKWJIZXKLX-UHFFFAOYSA-N 0 1 381.524 3.206 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000179319314 1429327199 /nfs/dbraw/zinc/32/71/99/1429327199.db2.gz JTTGHODOPZKDJN-UHFFFAOYSA-N 0 1 390.472 3.044 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179327545 1429329948 /nfs/dbraw/zinc/32/99/48/1429329948.db2.gz WZWVJSUNHJMIQI-INIZCTEOSA-N 0 1 396.495 3.232 20 0 GGADMN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179329734 1429330452 /nfs/dbraw/zinc/33/04/52/1429330452.db2.gz MVUYYXDQJDXTCZ-INIZCTEOSA-N 0 1 376.464 3.196 20 0 GGADMN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179329739 1429330466 /nfs/dbraw/zinc/33/04/66/1429330466.db2.gz MVUYYXDQJDXTCZ-MRXNPFEDSA-N 0 1 376.464 3.196 20 0 GGADMN CCCCNC(=O)C1CCN(Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000179331500 1429331174 /nfs/dbraw/zinc/33/11/74/1429331174.db2.gz UDZJTARXVJBDLR-UHFFFAOYSA-N 0 1 378.513 3.231 20 0 GGADMN COc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1OC(F)F ZINC000179332885 1429331885 /nfs/dbraw/zinc/33/18/85/1429331885.db2.gz IRRQDRTWZCAYHZ-LBPRGKRZSA-N 0 1 392.406 3.312 20 0 GGADMN Cc1c(C(=O)N2CCN(CC3CCOCC3)CC2)cccc1-c1ccccn1 ZINC000179336097 1429333030 /nfs/dbraw/zinc/33/30/30/1429333030.db2.gz QNAFEAVRAAQWSP-UHFFFAOYSA-N 0 1 379.504 3.241 20 0 GGADMN CCc1nc(-c2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc2)n[nH]1 ZINC000179336450 1429333076 /nfs/dbraw/zinc/33/30/76/1429333076.db2.gz NOSJYKDOHOWWBM-MRXNPFEDSA-N 0 1 391.479 3.049 20 0 GGADMN COc1ccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(OC)c1 ZINC000179339504 1429334615 /nfs/dbraw/zinc/33/46/15/1429334615.db2.gz WIRJGSWMBKFDSL-DZZUKKPASA-N 0 1 382.464 3.119 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179340182 1429334984 /nfs/dbraw/zinc/33/49/84/1429334984.db2.gz KUCMIPBFGXHEBU-OAHLLOKOSA-N 0 1 393.495 3.336 20 0 GGADMN CCOc1cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc(Cl)c1OC ZINC000179340420 1429335739 /nfs/dbraw/zinc/33/57/39/1429335739.db2.gz FSTXRFZLGMHUDH-INIZCTEOSA-N 0 1 380.916 3.486 20 0 GGADMN O=C(CSc1nc2ccccc2o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179342997 1429336214 /nfs/dbraw/zinc/33/62/14/1429336214.db2.gz OKNCBCGKGCHHDF-CYBMUJFWSA-N 0 1 383.477 3.322 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179344848 1429337006 /nfs/dbraw/zinc/33/70/06/1429337006.db2.gz WPCHUEXFCSFHBM-GFCCVEGCSA-N 0 1 376.892 3.212 20 0 GGADMN O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179352051 1429340014 /nfs/dbraw/zinc/34/00/14/1429340014.db2.gz BERBDQONCNDDES-AWEZNQCLSA-N 0 1 380.427 3.027 20 0 GGADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353887 1429340279 /nfs/dbraw/zinc/34/02/79/1429340279.db2.gz FBFKATUYMKVMJO-AWEZNQCLSA-N 0 1 377.448 3.264 20 0 GGADMN COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC000179356129 1429341751 /nfs/dbraw/zinc/34/17/51/1429341751.db2.gz GFVFWUDCUTYNQB-CQSZACIVSA-N 0 1 379.464 3.121 20 0 GGADMN CC1(C)CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1 ZINC000179357176 1429341888 /nfs/dbraw/zinc/34/18/88/1429341888.db2.gz QHYANECYBGECEH-CQSZACIVSA-N 0 1 388.493 3.432 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179358848 1429342272 /nfs/dbraw/zinc/34/22/72/1429342272.db2.gz GSZVYFHMYOVWOW-ZDUSSCGKSA-N 0 1 395.385 3.038 20 0 GGADMN CC(C)NC(=O)Nc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179358659 1429342297 /nfs/dbraw/zinc/34/22/97/1429342297.db2.gz SWWBYIVKHOLQCI-OAHLLOKOSA-N 0 1 396.495 3.232 20 0 GGADMN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179346538 1429337616 /nfs/dbraw/zinc/33/76/16/1429337616.db2.gz MLDFBIWDZMEGPN-OAHLLOKOSA-N 0 1 378.480 3.287 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179346730 1429337960 /nfs/dbraw/zinc/33/79/60/1429337960.db2.gz JYDXOTOYGWGDGX-TZZQJPOUSA-N 0 1 376.464 3.374 20 0 GGADMN COc1ccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000179348520 1429338265 /nfs/dbraw/zinc/33/82/65/1429338265.db2.gz WQTHXIJPPUHQBH-VGZDNEPHSA-N 0 1 382.464 3.119 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1 ZINC000179359810 1429343376 /nfs/dbraw/zinc/34/33/76/1429343376.db2.gz VZLMWPYOSNKCAT-OALUTQOASA-N 0 1 381.524 3.471 20 0 GGADMN O=C(CCc1nnc(-c2ccccc2)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179361170 1429343756 /nfs/dbraw/zinc/34/37/56/1429343756.db2.gz MTZADQXTDBEMCO-INIZCTEOSA-N 0 1 392.463 3.071 20 0 GGADMN COc1ccc(CCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000179364627 1429345321 /nfs/dbraw/zinc/34/53/21/1429345321.db2.gz HWRFZZGBXCTIKK-INIZCTEOSA-N 0 1 384.480 3.038 20 0 GGADMN CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179363790 1429345458 /nfs/dbraw/zinc/34/54/58/1429345458.db2.gz OQBXLNOFLDTZJJ-WCQYABFASA-N 0 1 375.498 3.174 20 0 GGADMN Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cnn1Cc1ccccc1 ZINC000179365317 1429345870 /nfs/dbraw/zinc/34/58/70/1429345870.db2.gz XXYRWIIURUVXFU-SFHVURJKSA-N 0 1 390.491 3.255 20 0 GGADMN CCCc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)[nH]c(C)c1C(C)=O ZINC000179368330 1429347399 /nfs/dbraw/zinc/34/73/99/1429347399.db2.gz UIAAJIAHRJHWGT-OAHLLOKOSA-N 0 1 383.496 3.494 20 0 GGADMN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179366540 1429346560 /nfs/dbraw/zinc/34/65/60/1429346560.db2.gz FPGGYIAKGBPUNI-ZDUSSCGKSA-N 0 1 395.385 3.038 20 0 GGADMN O=C(C=Cc1ccc(-n2ccnc2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179367669 1429347587 /nfs/dbraw/zinc/34/75/87/1429347587.db2.gz ZSFKMELOSYXGQU-YPHWWSSASA-N 0 1 388.475 3.287 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)CCN1CCN(c3ccccn3)CC1)CCC2 ZINC000179368238 1429347886 /nfs/dbraw/zinc/34/78/86/1429347886.db2.gz XEZKHBSATQKIHR-NRFANRHFSA-N 0 1 378.520 3.096 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cn(-c2ccc(F)cc2C)nn1)c1ccco1 ZINC000179390420 1429355589 /nfs/dbraw/zinc/35/55/89/1429355589.db2.gz DEXMGXVVXLNTEJ-SFHVURJKSA-N 0 1 385.443 3.121 20 0 GGADMN O=C(NC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1)c1ccsc1 ZINC000179413620 1429365355 /nfs/dbraw/zinc/36/53/55/1429365355.db2.gz GPLDMLMAZLRAOU-UHFFFAOYSA-N 0 1 380.517 3.387 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cnn(Cc4ccncc4)c3)[nH]2)c1 ZINC000179404496 1429360989 /nfs/dbraw/zinc/36/09/89/1429360989.db2.gz WLUQMJNVXOATLF-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)c(C)n2n1 ZINC000179418020 1429366437 /nfs/dbraw/zinc/36/64/37/1429366437.db2.gz CRVDBPOCESRQDG-LAUBAEHRSA-N 0 1 391.519 3.230 20 0 GGADMN Cc1cccc2c(NC[C@H](O)c3c(F)cccc3Cl)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822334821 1429368423 /nfs/dbraw/zinc/36/84/23/1429368423.db2.gz HPOFUYUWLQNYIV-HNNXBMFYSA-N 0 1 398.829 3.083 20 0 GGADMN Cc1cc2ncc([C@@H](C)NC[C@](O)(c3ccccc3)C(F)(F)F)c(C)n2n1 ZINC000179422204 1429368560 /nfs/dbraw/zinc/36/85/60/1429368560.db2.gz UWUGZNVLTDUJBC-ACJLOTCBSA-N 0 1 378.398 3.447 20 0 GGADMN Cc1cc2ncc([C@H](C)NC[C@](O)(c3ccccc3)C(F)(F)F)c(C)n2n1 ZINC000179422219 1429368865 /nfs/dbraw/zinc/36/88/65/1429368865.db2.gz UWUGZNVLTDUJBC-UGSOOPFHSA-N 0 1 378.398 3.447 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000179426014 1429370610 /nfs/dbraw/zinc/37/06/10/1429370610.db2.gz PRJAUKJBSCLPRB-UHFFFAOYSA-N 0 1 379.386 3.106 20 0 GGADMN Fc1ccccc1COC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000826378442 1429372452 /nfs/dbraw/zinc/37/24/52/1429372452.db2.gz KHFIBNCKHATVSW-UHFFFAOYSA-N 0 1 397.454 3.066 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(-c2cccs2)on1 ZINC000179430882 1429373182 /nfs/dbraw/zinc/37/31/82/1429373182.db2.gz GLTULCNWXILKNU-SJLPKXTDSA-N 0 1 397.500 3.016 20 0 GGADMN Cn1ccnc1C[C@@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000179432419 1429373877 /nfs/dbraw/zinc/37/38/77/1429373877.db2.gz GXPJPWRVIVFVEG-ZDUSSCGKSA-N 0 1 392.297 3.366 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc(N2CCCC2)cc1 ZINC000179441923 1429378074 /nfs/dbraw/zinc/37/80/74/1429378074.db2.gz MTABIUBPLIMRAK-HSZRJFAPSA-N 0 1 393.531 3.498 20 0 GGADMN Cc1cccc(NC[C@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)[nH+]1 ZINC000826299887 1429378473 /nfs/dbraw/zinc/37/84/73/1429378473.db2.gz ZUMPAASPRWFICZ-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000179465353 1429385106 /nfs/dbraw/zinc/38/51/06/1429385106.db2.gz LKHGCXWQUJOWMQ-UHFFFAOYSA-N 0 1 387.549 3.038 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000179469377 1429385434 /nfs/dbraw/zinc/38/54/34/1429385434.db2.gz WBMQNUDBTITDIQ-UHFFFAOYSA-N 0 1 391.512 3.153 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)[C@@H]1c1ccccc1 ZINC000179473977 1429387117 /nfs/dbraw/zinc/38/71/17/1429387117.db2.gz HQDZRQBWWFREKE-RDJZCZTQSA-N 0 1 392.286 3.494 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179471618 1429386530 /nfs/dbraw/zinc/38/65/30/1429386530.db2.gz NVGYWZGEELIXSC-NHCUHLMSSA-N 0 1 394.519 3.031 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000179475721 1429387476 /nfs/dbraw/zinc/38/74/76/1429387476.db2.gz NJSJHFAUIXPRMU-ZLGUVYLKSA-N 0 1 395.503 3.364 20 0 GGADMN CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179474438 1429387684 /nfs/dbraw/zinc/38/76/84/1429387684.db2.gz UCNFIBQSHYJXIL-TZIWHRDSSA-N 0 1 395.503 3.222 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179476505 1429387802 /nfs/dbraw/zinc/38/78/02/1429387802.db2.gz CVVCISFPNYVTJK-RBUKOAKNSA-N 0 1 383.517 3.299 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)(C)C)[C@H]1c1ccccc1 ZINC000179474686 1429387898 /nfs/dbraw/zinc/38/78/98/1429387898.db2.gz FMFKYCPJOVDEHR-WOJBJXKFSA-N 0 1 379.504 3.484 20 0 GGADMN C/C(=C\c1ccccc1)CN1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000179490145 1429391575 /nfs/dbraw/zinc/39/15/75/1429391575.db2.gz YKNGCNLDCFVCNV-HTXNQAPBSA-N 0 1 381.495 3.277 20 0 GGADMN CC1(C)CC[C@@H](CNC(=O)N2CCN(C3CCOCC3)CC2)c2ccccc21 ZINC000179480987 1429389325 /nfs/dbraw/zinc/38/93/25/1429389325.db2.gz LIYNQHOGBJEALS-SFHVURJKSA-N 0 1 385.552 3.348 20 0 GGADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000823798800 1429389802 /nfs/dbraw/zinc/38/98/02/1429389802.db2.gz YPAGAUBTKJRKFT-UHFFFAOYSA-N 0 1 386.463 3.412 20 0 GGADMN O=C(NC1CC1)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000179488480 1429390864 /nfs/dbraw/zinc/39/08/64/1429390864.db2.gz WBGLTXQCUPEIRH-OAQYLSRUSA-N 0 1 387.487 3.177 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccc(Cl)cc1 ZINC000179497366 1429395791 /nfs/dbraw/zinc/39/57/91/1429395791.db2.gz WTEZGSJKMBLTPG-BBRMVZONSA-N 0 1 387.915 3.392 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000179489884 1429391793 /nfs/dbraw/zinc/39/17/93/1429391793.db2.gz ZVAKGZHSJCSRAN-OAHLLOKOSA-N 0 1 385.374 3.198 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824606580 1429392083 /nfs/dbraw/zinc/39/20/83/1429392083.db2.gz QGSLGRSXXNXLOH-CYBMUJFWSA-N 0 1 377.477 3.279 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H]3CCCN(c4ccccc4F)C3=O)c(C)n2n1 ZINC000179498997 1429396598 /nfs/dbraw/zinc/39/65/98/1429396598.db2.gz LPIDNVICDNWVDY-KDOFPFPSSA-N 0 1 381.455 3.331 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578290 1429397204 /nfs/dbraw/zinc/39/72/04/1429397204.db2.gz SBGGZHDDNGXNBO-PXAZEXFGSA-N 0 1 382.855 3.364 20 0 GGADMN CN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179501543 1429398408 /nfs/dbraw/zinc/39/84/08/1429398408.db2.gz FBXXGHAQZDWBLA-UHFFFAOYSA-N 0 1 394.328 3.376 20 0 GGADMN Cc1ccc2nc(NC(=O)CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)sc2c1 ZINC000179502074 1429398826 /nfs/dbraw/zinc/39/88/26/1429398826.db2.gz KMHUEKXGRGOFOU-AWEZNQCLSA-N 0 1 396.520 3.418 20 0 GGADMN Cc1ccc2nc(NC(=O)CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)sc2c1 ZINC000179502074 1429398831 /nfs/dbraw/zinc/39/88/31/1429398831.db2.gz KMHUEKXGRGOFOU-AWEZNQCLSA-N 0 1 396.520 3.418 20 0 GGADMN Clc1ccc(-n2cc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)nn2)cc1 ZINC000179512691 1429403233 /nfs/dbraw/zinc/40/32/33/1429403233.db2.gz HGYHZMQXSKJHCK-CQSZACIVSA-N 0 1 383.887 3.296 20 0 GGADMN Clc1ccc(-n2cc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)nn2)cc1 ZINC000179512691 1429403243 /nfs/dbraw/zinc/40/32/43/1429403243.db2.gz HGYHZMQXSKJHCK-CQSZACIVSA-N 0 1 383.887 3.296 20 0 GGADMN O=C(NCCc1c(F)cccc1F)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179506379 1429400672 /nfs/dbraw/zinc/40/06/72/1429400672.db2.gz JCCTYIRCVBTPRA-UHFFFAOYSA-N 0 1 394.328 3.076 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1nc2ccccc2s1 ZINC000179505255 1429400746 /nfs/dbraw/zinc/40/07/46/1429400746.db2.gz AMPGZOQIRFNBMO-CYBMUJFWSA-N 0 1 382.493 3.110 20 0 GGADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Nc1nc2ccccc2s1 ZINC000179505255 1429400751 /nfs/dbraw/zinc/40/07/51/1429400751.db2.gz AMPGZOQIRFNBMO-CYBMUJFWSA-N 0 1 382.493 3.110 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C ZINC000179516174 1429404939 /nfs/dbraw/zinc/40/49/39/1429404939.db2.gz VNHIJEVKRVTHPR-BBRMVZONSA-N 0 1 383.496 3.280 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000179516174 1429404945 /nfs/dbraw/zinc/40/49/45/1429404945.db2.gz VNHIJEVKRVTHPR-BBRMVZONSA-N 0 1 383.496 3.280 20 0 GGADMN CCOc1ccccc1N1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000179515305 1429405077 /nfs/dbraw/zinc/40/50/77/1429405077.db2.gz GCYGLWUDIAZXQH-UHFFFAOYSA-N 0 1 381.520 3.244 20 0 GGADMN CCn1nc(C)c(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1C ZINC000179520016 1429407102 /nfs/dbraw/zinc/40/71/02/1429407102.db2.gz HQMLGGZNKUNAJL-GOSISDBHSA-N 0 1 385.512 3.487 20 0 GGADMN Fc1ccc2c(C3=CC[N@@H+](Cc4ccnc(-c5nnn[n-]5)c4)CC3)c[nH]c2c1 ZINC000826376302 1429407240 /nfs/dbraw/zinc/40/72/40/1429407240.db2.gz XEQDZTKDULOZNH-UHFFFAOYSA-N 0 1 375.411 3.171 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCCO1 ZINC000825435177 1429407428 /nfs/dbraw/zinc/40/74/28/1429407428.db2.gz OIEMJIXXRCRCDL-NRFANRHFSA-N 0 1 393.491 3.447 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000179525809 1429409211 /nfs/dbraw/zinc/40/92/11/1429409211.db2.gz OSCMEXBEEGFTQP-MRXNPFEDSA-N 0 1 383.492 3.465 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179527943 1429410523 /nfs/dbraw/zinc/41/05/23/1429410523.db2.gz UXADUKIDYAKJMA-KRWDZBQOSA-N 0 1 397.519 3.442 20 0 GGADMN CCn1nc(C)c(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000179529595 1429411047 /nfs/dbraw/zinc/41/10/47/1429411047.db2.gz FISASUCWLXKYHF-HZPDHXFCSA-N 0 1 399.539 3.451 20 0 GGADMN Cc1ccccc1C[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179529385 1429411407 /nfs/dbraw/zinc/41/14/07/1429411407.db2.gz YLRHOMCHIMHADQ-GFCCVEGCSA-N 0 1 386.402 3.495 20 0 GGADMN CCn1nc(C)c(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000179529583 1429411473 /nfs/dbraw/zinc/41/14/73/1429411473.db2.gz FISASUCWLXKYHF-IYBDPMFKSA-N 0 1 399.539 3.451 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NCC(=O)NC(=O)NCc2cccs2)cc1 ZINC000179530128 1429412079 /nfs/dbraw/zinc/41/20/79/1429412079.db2.gz SHWGIAHBEUFQKN-CQSZACIVSA-N 0 1 375.494 3.212 20 0 GGADMN CCn1nc(C)c(NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1C ZINC000179543137 1429419830 /nfs/dbraw/zinc/41/98/30/1429419830.db2.gz BXEGIDWWCAEESC-UHFFFAOYSA-N 0 1 385.512 3.268 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCCN(c2ccccc2)CC1 ZINC000179554464 1429428268 /nfs/dbraw/zinc/42/82/68/1429428268.db2.gz VGGCCEFPNQTIIX-UHFFFAOYSA-N 0 1 382.430 3.382 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820664525 1429429148 /nfs/dbraw/zinc/42/91/48/1429429148.db2.gz BGPSVUWVFGTFIP-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001139850562 1429426066 /nfs/dbraw/zinc/42/60/66/1429426066.db2.gz FFKJLLVMLLOLHB-OAQYLSRUSA-N 0 1 398.511 3.232 20 0 GGADMN CC1(CNCc2cc(Br)ccc2OCc2ccccn2)OCCO1 ZINC000179555941 1429430118 /nfs/dbraw/zinc/43/01/18/1429430118.db2.gz DXCZLKUKENBSOT-UHFFFAOYSA-N 0 1 393.281 3.276 20 0 GGADMN CCOc1ccccc1CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179556938 1429430573 /nfs/dbraw/zinc/43/05/73/1429430573.db2.gz NGDOIVAYGCJTFM-UHFFFAOYSA-N 0 1 388.374 3.154 20 0 GGADMN CC(C)(NCC(=O)NCc1ccccc1Cn1cccn1)c1cccc(F)c1 ZINC000179567815 1429439129 /nfs/dbraw/zinc/43/91/29/1429439129.db2.gz UXTISOXWAKJTQM-UHFFFAOYSA-N 0 1 380.467 3.212 20 0 GGADMN CCCCN(Cc1cc(Br)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179567599 1429439303 /nfs/dbraw/zinc/43/93/03/1429439303.db2.gz SPCIVYYMLDLIFZ-OAHLLOKOSA-N 0 1 390.343 3.252 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179574883 1429443931 /nfs/dbraw/zinc/44/39/31/1429443931.db2.gz KIRAREKLFIJMLE-ZDUSSCGKSA-N 0 1 391.418 3.279 20 0 GGADMN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825014228 1429446214 /nfs/dbraw/zinc/44/62/14/1429446214.db2.gz VDMSBLJZKJTWET-VFNWGFHPSA-N 0 1 379.464 3.103 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000179576769 1429446528 /nfs/dbraw/zinc/44/65/28/1429446528.db2.gz QCKSYECVRJMXOH-KGLIPLIRSA-N 0 1 398.450 3.129 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000179576728 1429446602 /nfs/dbraw/zinc/44/66/02/1429446602.db2.gz QCKSYECVRJMXOH-UONOGXRCSA-N 0 1 398.450 3.129 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC[C@H](OCCO)C1 ZINC000179576557 1429447083 /nfs/dbraw/zinc/44/70/83/1429447083.db2.gz JPKWJPMQUUNOKP-SFHVURJKSA-N 0 1 377.916 3.175 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000179578866 1429449278 /nfs/dbraw/zinc/44/92/78/1429449278.db2.gz IFBGNZDJIIUUDL-STQMWFEESA-N 0 1 389.402 3.312 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179580713 1429450744 /nfs/dbraw/zinc/45/07/44/1429450744.db2.gz UAAIERPYLQONPH-CYBMUJFWSA-N 0 1 392.402 3.388 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179581637 1429450781 /nfs/dbraw/zinc/45/07/81/1429450781.db2.gz YKOBEWDDTVTBOQ-ZDUSSCGKSA-N 0 1 385.432 3.421 20 0 GGADMN Cc1ccc(CCNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c(C)c1 ZINC000179580325 1429451085 /nfs/dbraw/zinc/45/10/85/1429451085.db2.gz UPAVOLCOZMEQRY-UHFFFAOYSA-N 0 1 386.402 3.415 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179582771 1429451873 /nfs/dbraw/zinc/45/18/73/1429451873.db2.gz DKJXPHLEUJGCLA-LBPRGKRZSA-N 0 1 378.375 3.364 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1cccc(OC(F)F)c1 ZINC000179586102 1429454496 /nfs/dbraw/zinc/45/44/96/1429454496.db2.gz FTLUOHPBQNQVGT-OLZOCXBDSA-N 0 1 383.439 3.486 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1sccc1C(N)=O ZINC000179589139 1429456131 /nfs/dbraw/zinc/45/61/31/1429456131.db2.gz RZEWAGDBBPMFHK-VHSXEESVSA-N 0 1 383.420 3.126 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1cccs1)c1cccc(OC(F)F)c1 ZINC000179590979 1429456954 /nfs/dbraw/zinc/45/69/54/1429456954.db2.gz ACGAZKZPPPWOIU-NSHDSACASA-N 0 1 383.420 3.026 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000821105041 1429456977 /nfs/dbraw/zinc/45/69/77/1429456977.db2.gz WHQHPOXNAQAPTG-JXFKEZNVSA-N 0 1 390.491 3.256 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000821105041 1429456980 /nfs/dbraw/zinc/45/69/80/1429456980.db2.gz WHQHPOXNAQAPTG-JXFKEZNVSA-N 0 1 390.491 3.256 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000821105041 1429456983 /nfs/dbraw/zinc/45/69/83/1429456983.db2.gz WHQHPOXNAQAPTG-JXFKEZNVSA-N 0 1 390.491 3.256 20 0 GGADMN c1ccc(COC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823786729 1429460156 /nfs/dbraw/zinc/46/01/56/1429460156.db2.gz DAOIRKLWYDRMAR-LJQANCHMSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(COC[C@@H]2CC[N@@H+](CCCOc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823786729 1429460160 /nfs/dbraw/zinc/46/01/60/1429460160.db2.gz DAOIRKLWYDRMAR-LJQANCHMSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(COC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823786729 1429460164 /nfs/dbraw/zinc/46/01/64/1429460164.db2.gz DAOIRKLWYDRMAR-LJQANCHMSA-N 0 1 393.491 3.174 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179594569 1429460168 /nfs/dbraw/zinc/46/01/68/1429460168.db2.gz PDPPGFAWOBFLAI-LBPRGKRZSA-N 0 1 378.375 3.364 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000179596315 1429461303 /nfs/dbraw/zinc/46/13/03/1429461303.db2.gz SSNPKGGXYNAYJX-FQEVSTJZSA-N 0 1 389.540 3.373 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000179596953 1429461411 /nfs/dbraw/zinc/46/14/11/1429461411.db2.gz JZGDGDJDJMXHAX-QGZVFWFLSA-N 0 1 385.483 3.194 20 0 GGADMN c1ccc(-c2nc3c(c(N4CCC[C@@H](c5nc(C6CC6)n[nH]5)C4)n2)CCC3)nc1 ZINC000179599206 1429464194 /nfs/dbraw/zinc/46/41/94/1429464194.db2.gz CPOHRRNGSFFZCP-OAHLLOKOSA-N 0 1 387.491 3.407 20 0 GGADMN c1ccc(-c2nc3c(c(N4CCC[C@@H](c5n[nH]c(C6CC6)n5)C4)n2)CCC3)nc1 ZINC000179599206 1429464203 /nfs/dbraw/zinc/46/42/03/1429464203.db2.gz CPOHRRNGSFFZCP-OAHLLOKOSA-N 0 1 387.491 3.407 20 0 GGADMN CC(C)(NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000179604398 1429467227 /nfs/dbraw/zinc/46/72/27/1429467227.db2.gz HWARMDLCZYXEJR-UHFFFAOYSA-N 0 1 395.837 3.198 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179605060 1429467376 /nfs/dbraw/zinc/46/73/76/1429467376.db2.gz CHOJRDJRXDIIPD-LBPRGKRZSA-N 0 1 378.375 3.364 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(OC(F)F)cc1 ZINC000179614596 1429471495 /nfs/dbraw/zinc/47/14/95/1429471495.db2.gz VLNGXPFMTSDAPU-LBPRGKRZSA-N 0 1 378.375 3.349 20 0 GGADMN CC(C)(NCC(=O)NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000179605614 1429468064 /nfs/dbraw/zinc/46/80/64/1429468064.db2.gz ZERXYVFLDMZKDL-UHFFFAOYSA-N 0 1 380.275 3.279 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179606738 1429468140 /nfs/dbraw/zinc/46/81/40/1429468140.db2.gz OMAKOMBQFWKIPB-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000179608017 1429468793 /nfs/dbraw/zinc/46/87/93/1429468793.db2.gz GCVTUQAGRYCTNN-ZDUSSCGKSA-N 0 1 384.448 3.389 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179609865 1429469311 /nfs/dbraw/zinc/46/93/11/1429469311.db2.gz IEMKTCVJJLOABF-FQEVSTJZSA-N 0 1 387.911 3.462 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(OC(F)F)cc1 ZINC000179610818 1429470386 /nfs/dbraw/zinc/47/03/86/1429470386.db2.gz YAXKSDFJKPIROP-LLVKDONJSA-N 0 1 383.420 3.026 20 0 GGADMN COc1cccc([C@H](CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)N(C)C)c1 ZINC000179618483 1429473846 /nfs/dbraw/zinc/47/38/46/1429473846.db2.gz NYEGNBGUJMXKCF-RBUKOAKNSA-N 0 1 376.884 3.191 20 0 GGADMN CC[C@H](CSC)N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000179621013 1429474555 /nfs/dbraw/zinc/47/45/55/1429474555.db2.gz SRPZXTDPONBSPJ-DOTOQJQBSA-N 0 1 396.576 3.422 20 0 GGADMN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179621647 1429475212 /nfs/dbraw/zinc/47/52/12/1429475212.db2.gz LMGSBHVULFXBQA-UHFFFAOYSA-N 0 1 379.420 3.333 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)NCc1csc(CC(=O)N(C)C)n1 ZINC000179626642 1429476477 /nfs/dbraw/zinc/47/64/77/1429476477.db2.gz OHYQRCWFFLLZNU-SFHVURJKSA-N 0 1 396.944 3.160 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179614182 1429471833 /nfs/dbraw/zinc/47/18/33/1429471833.db2.gz TUXPBSADQYFGEV-CYBMUJFWSA-N 0 1 391.418 3.327 20 0 GGADMN C[N@@H+]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022963 1429478025 /nfs/dbraw/zinc/47/80/25/1429478025.db2.gz UGJBEHZGXWGUNL-SJKOYZFVSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022963 1429478031 /nfs/dbraw/zinc/47/80/31/1429478031.db2.gz UGJBEHZGXWGUNL-SJKOYZFVSA-N 0 1 387.850 3.159 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2nnc(C(C)(C)C)s2)cc1OC ZINC000179629284 1429478995 /nfs/dbraw/zinc/47/89/95/1429478995.db2.gz YMYUACNPSCJQJB-GFCCVEGCSA-N 0 1 392.525 3.451 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)NCCOc2cccc(C)c2)cc1OC ZINC000179633191 1429481541 /nfs/dbraw/zinc/48/15/41/1429481541.db2.gz IODHVIWASHNOHZ-KRWDZBQOSA-N 0 1 386.492 3.166 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)NCc2cc(F)cc(F)c2)cc1OC ZINC000179631349 1429480702 /nfs/dbraw/zinc/48/07/02/1429480702.db2.gz APRGECAARNZRDY-ZDUSSCGKSA-N 0 1 378.419 3.257 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)Cc3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000179634179 1429482238 /nfs/dbraw/zinc/48/22/38/1429482238.db2.gz SYMVNAYGVDYUJT-ZUZCIYMTSA-N 0 1 398.294 3.134 20 0 GGADMN Cc1cc(C)cc(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000179648512 1429488493 /nfs/dbraw/zinc/48/84/93/1429488493.db2.gz WWNSDVQIIZQYIO-KRWDZBQOSA-N 0 1 395.503 3.250 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C ZINC000179651759 1429489940 /nfs/dbraw/zinc/48/99/40/1429489940.db2.gz LGFDBTUXYBXTMI-KRWDZBQOSA-N 0 1 395.503 3.250 20 0 GGADMN Cc1cccc2nc(CN[C@@H](C)c3ccc(OCC(=O)NC4CC4)cc3)cn21 ZINC000179654118 1429491616 /nfs/dbraw/zinc/49/16/16/1429491616.db2.gz NSRWGARICLMPEK-INIZCTEOSA-N 0 1 378.476 3.151 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC(C)(C)CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179656484 1429492956 /nfs/dbraw/zinc/49/29/56/1429492956.db2.gz KMMSUTDFARQZMR-WMLDXEAASA-N 0 1 385.911 3.180 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC2(O)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179656216 1429493084 /nfs/dbraw/zinc/49/30/84/1429493084.db2.gz NLFWCOMTIHQLKL-YOEHRIQHSA-N 0 1 383.895 3.076 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)s1 ZINC000179656099 1429493357 /nfs/dbraw/zinc/49/33/57/1429493357.db2.gz FTQYSKHVUXTQFF-ZDUSSCGKSA-N 0 1 388.489 3.043 20 0 GGADMN COc1c(C)cnc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1C ZINC000179652747 1429490928 /nfs/dbraw/zinc/49/09/28/1429490928.db2.gz UEPZQYJPYACBQY-MRXNPFEDSA-N 0 1 383.492 3.215 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000179671348 1429500162 /nfs/dbraw/zinc/50/01/62/1429500162.db2.gz RPVMYPLGLKEDOC-UHFFFAOYSA-N 0 1 397.906 3.362 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000179667336 1429498528 /nfs/dbraw/zinc/49/85/28/1429498528.db2.gz JRAOAFITCHWDJA-UHFFFAOYSA-N 0 1 387.867 3.413 20 0 GGADMN CC[C@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1nc(C)cs1 ZINC000179667221 1429498696 /nfs/dbraw/zinc/49/86/96/1429498696.db2.gz LVZXPZUCGWAWPG-JTQLQIEISA-N 0 1 393.419 3.471 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cn(C)c(=O)cc2C)CCN1Cc1ccccc1 ZINC000179669923 1429499430 /nfs/dbraw/zinc/49/94/30/1429499430.db2.gz IPWAWFXMBOGEDY-IBGZPJMESA-N 0 1 382.508 3.212 20 0 GGADMN O=C(Nc1ccccc1N1CCCC1=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179670519 1429499869 /nfs/dbraw/zinc/49/98/69/1429499869.db2.gz GSVLIXGDRKJXNH-HNNXBMFYSA-N 0 1 394.479 3.220 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000179671429 1429500724 /nfs/dbraw/zinc/50/07/24/1429500724.db2.gz QHYGZLCWNIZTDR-UHFFFAOYSA-N 0 1 399.922 3.390 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)NCCc1cnn(-c2ccccc2)c1 ZINC000179672014 1429500803 /nfs/dbraw/zinc/50/08/03/1429500803.db2.gz CUNYYQCXFTVUJX-UHFFFAOYSA-N 0 1 394.906 3.463 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736469297 1429501221 /nfs/dbraw/zinc/50/12/21/1429501221.db2.gz CYFIXESUVXPBDW-UHFFFAOYSA-N 0 1 382.443 3.490 20 0 GGADMN CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736469297 1429501224 /nfs/dbraw/zinc/50/12/24/1429501224.db2.gz CYFIXESUVXPBDW-UHFFFAOYSA-N 0 1 382.443 3.490 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736469297 1429501230 /nfs/dbraw/zinc/50/12/30/1429501230.db2.gz CYFIXESUVXPBDW-UHFFFAOYSA-N 0 1 382.443 3.490 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000179673526 1429501478 /nfs/dbraw/zinc/50/14/78/1429501478.db2.gz KLZMYBCRYSBCDB-UHFFFAOYSA-N 0 1 383.879 3.450 20 0 GGADMN COCCOc1ccc(CNC(=O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000179673397 1429501619 /nfs/dbraw/zinc/50/16/19/1429501619.db2.gz HYNYESIEXHCYTC-UHFFFAOYSA-N 0 1 388.895 3.260 20 0 GGADMN O=C(Nc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1)C1CC1 ZINC000179673415 1429501690 /nfs/dbraw/zinc/50/16/90/1429501690.db2.gz NQHMVUZNTGTMIR-HNNXBMFYSA-N 0 1 394.479 3.442 20 0 GGADMN CCC(CC)[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000179673518 1429501702 /nfs/dbraw/zinc/50/17/02/1429501702.db2.gz KEOJLPCYTIAZNP-OALUTQOASA-N 0 1 382.932 3.017 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000179674993 1429502189 /nfs/dbraw/zinc/50/21/89/1429502189.db2.gz CRYKLEDYXJUEMF-CHWSQXEVSA-N 0 1 375.494 3.312 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1C ZINC000179676891 1429502991 /nfs/dbraw/zinc/50/29/91/1429502991.db2.gz FLBZMRFTYMVPFP-UHFFFAOYSA-N 0 1 389.433 3.264 20 0 GGADMN CCCc1cc(NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)n(C)n1 ZINC000179685693 1429506700 /nfs/dbraw/zinc/50/67/00/1429506700.db2.gz OKNXLUOJBAZHLM-UHFFFAOYSA-N 0 1 385.512 3.121 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179695079 1429510170 /nfs/dbraw/zinc/51/01/70/1429510170.db2.gz FNZQJKWAZODGPS-INIZCTEOSA-N 0 1 396.495 3.233 20 0 GGADMN C[C@H](NCC(=O)N(C)c1nccs1)c1cccc(OCc2ccccn2)c1 ZINC000179693587 1429510289 /nfs/dbraw/zinc/51/02/89/1429510289.db2.gz NMEVDEWPWNUGAP-HNNXBMFYSA-N 0 1 382.489 3.431 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179695092 1429510319 /nfs/dbraw/zinc/51/03/19/1429510319.db2.gz FNZQJKWAZODGPS-MRXNPFEDSA-N 0 1 396.495 3.233 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179696594 1429511651 /nfs/dbraw/zinc/51/16/51/1429511651.db2.gz DQJXTAKUHLZJPA-UHFFFAOYSA-N 0 1 386.467 3.470 20 0 GGADMN CC(=O)Nc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1C ZINC000179709465 1429516628 /nfs/dbraw/zinc/51/66/28/1429516628.db2.gz WFRRSDJHSYGZHH-HNNXBMFYSA-N 0 1 382.468 3.360 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2cc(C)no2)ccc1OCc1ccncc1 ZINC000179699287 1429512297 /nfs/dbraw/zinc/51/22/97/1429512297.db2.gz WGSQEZGPTLUUDV-OAHLLOKOSA-N 0 1 396.447 3.255 20 0 GGADMN O=S(=O)(C=Cc1ccc(F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179704498 1429514316 /nfs/dbraw/zinc/51/43/16/1429514316.db2.gz SCFLSZSZLKWHHU-GDXASINISA-N 0 1 376.457 3.001 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Cl)cc1F ZINC000179703611 1429514477 /nfs/dbraw/zinc/51/44/77/1429514477.db2.gz WMFSLYOARLMHAC-GFCCVEGCSA-N 0 1 398.891 3.351 20 0 GGADMN O=C(Nc1ccccc1-n1cccn1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179703406 1429514518 /nfs/dbraw/zinc/51/45/18/1429514518.db2.gz AUNYRWPAZPSTRZ-HNNXBMFYSA-N 0 1 377.452 3.279 20 0 GGADMN O=S(=O)(C=Cc1ccc(F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179704510 1429514705 /nfs/dbraw/zinc/51/47/05/1429514705.db2.gz SCFLSZSZLKWHHU-SLZMIMFISA-N 0 1 376.457 3.001 20 0 GGADMN COC[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(F)c(F)c1 ZINC000179713311 1429518295 /nfs/dbraw/zinc/51/82/95/1429518295.db2.gz FWEAREFWFSVCPM-CVEARBPZSA-N 0 1 383.464 3.316 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1OC(F)F ZINC000179713491 1429518494 /nfs/dbraw/zinc/51/84/94/1429518494.db2.gz XHGPYTGSDJCQBX-CJNGLKHVSA-N 0 1 398.450 3.129 20 0 GGADMN O=C(Nc1ccc2oc(=O)ccc2c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179716339 1429519568 /nfs/dbraw/zinc/51/95/68/1429519568.db2.gz MOMXMBURAZBIGE-AWEZNQCLSA-N 0 1 379.420 3.200 20 0 GGADMN O=C(Nc1cccnc1N1CCCC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179717331 1429519961 /nfs/dbraw/zinc/51/99/61/1429519961.db2.gz ORVGYOBSZLWQLJ-HNNXBMFYSA-N 0 1 381.484 3.089 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000179719005 1429520283 /nfs/dbraw/zinc/52/02/83/1429520283.db2.gz XWANYJYWFBJGTL-ONGXEEELSA-N 0 1 397.344 3.105 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1OC(F)F ZINC000179721974 1429521808 /nfs/dbraw/zinc/52/18/08/1429521808.db2.gz YHGFEAMEQCUPEC-LRDDRELGSA-N 0 1 391.418 3.455 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NC2CCOCC2)ccc1OCc1ccccc1 ZINC000179710723 1429517267 /nfs/dbraw/zinc/51/72/67/1429517267.db2.gz NISXRRBBRHGUGX-KRWDZBQOSA-N 0 1 398.503 3.220 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1OC(F)F ZINC000179723836 1429522839 /nfs/dbraw/zinc/52/28/39/1429522839.db2.gz VCRQFUDDXVLSNA-CQSZACIVSA-N 0 1 377.391 3.066 20 0 GGADMN O=C(Nc1ccn(Cc2ccccc2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179725569 1429524149 /nfs/dbraw/zinc/52/41/49/1429524149.db2.gz XSZOESUXHUAXNK-QGZVFWFLSA-N 0 1 391.479 3.338 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cc(C)cc(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000179726578 1429524658 /nfs/dbraw/zinc/52/46/58/1429524658.db2.gz XBOPOFIEXWNJBB-HXUWFJFHSA-N 0 1 397.519 3.450 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152300464 1422067152 /nfs/dbraw/zinc/06/71/52/1422067152.db2.gz STVRFTKTOUPACN-CJNGLKHVSA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152300464 1422067161 /nfs/dbraw/zinc/06/71/61/1422067161.db2.gz STVRFTKTOUPACN-CJNGLKHVSA-N 0 1 381.480 3.091 20 0 GGADMN CN(CC1(O)CCCC1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000152304721 1422067706 /nfs/dbraw/zinc/06/77/06/1422067706.db2.gz KXLAIWWJTJNKPJ-OAQYLSRUSA-N 0 1 396.487 3.010 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(C)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000179727992 1429525654 /nfs/dbraw/zinc/52/56/54/1429525654.db2.gz UIZNRGXKYSQWAJ-FQEVSTJZSA-N 0 1 397.519 3.450 20 0 GGADMN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000152324184 1422072767 /nfs/dbraw/zinc/07/27/67/1422072767.db2.gz XVRKWFFNLLGDPB-QGZVFWFLSA-N 0 1 392.507 3.298 20 0 GGADMN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000152324257 1422073006 /nfs/dbraw/zinc/07/30/06/1422073006.db2.gz XVRKWFFNLLGDPB-KRWDZBQOSA-N 0 1 392.507 3.298 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)CC1(O)CCCC1 ZINC000152329326 1422074184 /nfs/dbraw/zinc/07/41/84/1422074184.db2.gz WIQYHCDCPWVDQG-UHFFFAOYSA-N 0 1 399.466 3.253 20 0 GGADMN COC(=O)[C@@H](NCc1ccccc1CN(C)Cc1ccco1)c1cccnc1 ZINC000152340949 1422077225 /nfs/dbraw/zinc/07/72/25/1422077225.db2.gz NWBBDNDKOZQSPZ-NRFANRHFSA-N 0 1 379.460 3.311 20 0 GGADMN O=C(Nc1ccc(F)cc1OCC1CC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000152369053 1422085380 /nfs/dbraw/zinc/08/53/80/1422085380.db2.gz KMYPBHZVYYFWHQ-KRWDZBQOSA-N 0 1 391.487 3.191 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc(-c4ncco4)c3)n2)cc1 ZINC000152376836 1422086532 /nfs/dbraw/zinc/08/65/32/1422086532.db2.gz VZHLKEDFMKVLLQ-UHFFFAOYSA-N 0 1 390.403 3.457 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cccc(-c4ncco4)c3)n[nH]2)cc1 ZINC000152376836 1422086537 /nfs/dbraw/zinc/08/65/37/1422086537.db2.gz VZHLKEDFMKVLLQ-UHFFFAOYSA-N 0 1 390.403 3.457 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(OC2CCOCC2)cc1 ZINC000152401652 1422093645 /nfs/dbraw/zinc/09/36/45/1422093645.db2.gz FDOKODSGPJCBIS-HXUWFJFHSA-N 0 1 384.476 3.404 20 0 GGADMN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000152403172 1422093686 /nfs/dbraw/zinc/09/36/86/1422093686.db2.gz NWSRQIBIABXFNJ-IBGZPJMESA-N 0 1 382.439 3.100 20 0 GGADMN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cccc(-c2nnc[nH]2)c1 ZINC000152405543 1422094452 /nfs/dbraw/zinc/09/44/52/1422094452.db2.gz XRBYTZNHSWSBPK-UHFFFAOYSA-N 0 1 394.822 3.148 20 0 GGADMN CCOC(=O)c1cnc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(Cl)c1 ZINC000152411790 1422096266 /nfs/dbraw/zinc/09/62/66/1422096266.db2.gz WDROEXJEZRKUCA-MRXNPFEDSA-N 0 1 393.846 3.084 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cnn(C4CCCC4)c3C)n2)cc1 ZINC000152439044 1422104094 /nfs/dbraw/zinc/10/40/94/1422104094.db2.gz IDFJKNSCSMFGAY-UHFFFAOYSA-N 0 1 380.452 3.030 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cnn(C4CCCC4)c3C)n[nH]2)cc1 ZINC000152439044 1422104096 /nfs/dbraw/zinc/10/40/96/1422104096.db2.gz IDFJKNSCSMFGAY-UHFFFAOYSA-N 0 1 380.452 3.030 20 0 GGADMN C[C@H](CNC(=O)NC1CCN(c2cccs2)CC1)N1CCc2ccccc2C1 ZINC000152439954 1422104111 /nfs/dbraw/zinc/10/41/11/1422104111.db2.gz WFSMTZTVAPVZAA-QGZVFWFLSA-N 0 1 398.576 3.463 20 0 GGADMN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2nnc3ccccc3c2O)cc1 ZINC000152458529 1422109231 /nfs/dbraw/zinc/10/92/31/1422109231.db2.gz IWMFDRWLSLPILY-UHFFFAOYSA-N 0 1 387.443 3.164 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(c2cccs2)CC1 ZINC000152486054 1422116984 /nfs/dbraw/zinc/11/69/84/1422116984.db2.gz BJWHMNFHPBAFIS-UHFFFAOYSA-N 0 1 399.564 3.162 20 0 GGADMN CCC(=O)c1cccc(NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)c1 ZINC000152492941 1422119701 /nfs/dbraw/zinc/11/97/01/1422119701.db2.gz AHCIPMJSEYPREV-UHFFFAOYSA-N 0 1 379.420 3.395 20 0 GGADMN CCC(=O)c1cccc(NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)c1 ZINC000152492941 1422119706 /nfs/dbraw/zinc/11/97/06/1422119706.db2.gz AHCIPMJSEYPREV-UHFFFAOYSA-N 0 1 379.420 3.395 20 0 GGADMN CCCN(CCN(CC)CC)C(=O)Nc1ccc(F)cc1S(=O)(=O)CC ZINC000152511176 1422126521 /nfs/dbraw/zinc/12/65/21/1422126521.db2.gz UKQNWSVHSJPWQA-UHFFFAOYSA-N 0 1 387.521 3.205 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cccc(OCC(C)C)c2)c1 ZINC000152514214 1422127450 /nfs/dbraw/zinc/12/74/50/1422127450.db2.gz RWEXQKSLMBGENY-INIZCTEOSA-N 0 1 376.522 3.480 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)NCCc1nc2ccccc2s1 ZINC000179741833 1429532542 /nfs/dbraw/zinc/53/25/42/1429532542.db2.gz SPFXCQJHZKWQNS-KRWDZBQOSA-N 0 1 383.517 3.058 20 0 GGADMN Cc1noc(C)c1[C@H](C)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000152532961 1422133868 /nfs/dbraw/zinc/13/38/68/1422133868.db2.gz SJJDLWSBOZIXPF-CQSZACIVSA-N 0 1 388.487 3.498 20 0 GGADMN C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000152551756 1422140665 /nfs/dbraw/zinc/14/06/65/1422140665.db2.gz DPNRXODBTGGKGV-DNVCBOLYSA-N 0 1 389.471 3.195 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000152556259 1422142493 /nfs/dbraw/zinc/14/24/93/1422142493.db2.gz QUQFKBAKQORPBD-HXUWFJFHSA-N 0 1 395.547 3.202 20 0 GGADMN CCN(CC)CCN(Cc1cccs1)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000152559741 1422143859 /nfs/dbraw/zinc/14/38/59/1422143859.db2.gz SUWBKPAKWNDKLY-UHFFFAOYSA-N 0 1 394.562 3.136 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)N1CCCCC1 ZINC000152602102 1422159401 /nfs/dbraw/zinc/15/94/01/1422159401.db2.gz BXGFBFCSKNLYQP-WSTZPKSXSA-N 0 1 389.540 3.073 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)cc1OC ZINC000152602242 1422159816 /nfs/dbraw/zinc/15/98/16/1422159816.db2.gz WGTDYLCSPWWLDZ-UHFFFAOYSA-N 0 1 391.424 3.138 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cnn1-c1ccccc1F ZINC000152612323 1422165157 /nfs/dbraw/zinc/16/51/57/1422165157.db2.gz AGABIRGYFSXFOG-UHFFFAOYSA-N 0 1 399.403 3.227 20 0 GGADMN CCN(CC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)C1CC1 ZINC000152620257 1422170342 /nfs/dbraw/zinc/17/03/42/1422170342.db2.gz PZSUCRXRZOGRFV-UHFFFAOYSA-N 0 1 381.879 3.141 20 0 GGADMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000179748403 1429535810 /nfs/dbraw/zinc/53/58/10/1429535810.db2.gz HJMQGHLKRDWODN-QUCCMNQESA-N 0 1 396.535 3.258 20 0 GGADMN CC(C)c1ccc([C@@H](C)CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000152635850 1422181092 /nfs/dbraw/zinc/18/10/92/1422181092.db2.gz BABWAXKGXILJRH-RXVVDRJESA-N 0 1 385.552 3.069 20 0 GGADMN CC(C)c1ccc([C@H](C)CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000152635941 1422181339 /nfs/dbraw/zinc/18/13/39/1422181339.db2.gz BABWAXKGXILJRH-NQIIRXRSSA-N 0 1 385.552 3.069 20 0 GGADMN COc1ccccc1COC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000179748542 1429535968 /nfs/dbraw/zinc/53/59/68/1429535968.db2.gz RIISSTBNTKXBFV-UHFFFAOYSA-N 0 1 393.487 3.193 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)Cc3csc(-c4ccoc4)n3)c2)CC1 ZINC000152652294 1422188510 /nfs/dbraw/zinc/18/85/10/1422188510.db2.gz QMDQFJZAIPCXAT-UHFFFAOYSA-N 0 1 396.516 3.332 20 0 GGADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000152652433 1422190014 /nfs/dbraw/zinc/19/00/14/1422190014.db2.gz KPYYOKLESOOGNH-ZIAGYGMSSA-N 0 1 386.414 3.401 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000179750029 1429537398 /nfs/dbraw/zinc/53/73/98/1429537398.db2.gz OKDYNFOCDYBRNL-UHFFFAOYSA-N 0 1 382.504 3.335 20 0 GGADMN CCc1nc2c(s1)[C@H](N(C)CC1=Nc3ccccc3S(=O)(=O)N1)CCC2 ZINC000152673354 1422203532 /nfs/dbraw/zinc/20/35/32/1422203532.db2.gz AQHLCKSSUDBVDL-CQSZACIVSA-N 0 1 390.534 3.037 20 0 GGADMN CCN(CC)C(=O)[C@@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000152686614 1422209837 /nfs/dbraw/zinc/20/98/37/1422209837.db2.gz NKKABGPHZBGDGI-GOSISDBHSA-N 0 1 385.552 3.147 20 0 GGADMN CCN(CC)C(=O)[C@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000152686721 1422209909 /nfs/dbraw/zinc/20/99/09/1422209909.db2.gz NKKABGPHZBGDGI-SFHVURJKSA-N 0 1 385.552 3.147 20 0 GGADMN CCOCCCNC(=O)[C@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152711379 1422219365 /nfs/dbraw/zinc/21/93/65/1422219365.db2.gz WZLHCCVAHXHDES-HOTGVXAUSA-N 0 1 379.570 3.133 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1F ZINC000152728525 1422226426 /nfs/dbraw/zinc/22/64/26/1422226426.db2.gz HTLPPVFALQWWQV-UZLBHIALSA-N 0 1 398.478 3.434 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC2 ZINC000152729820 1422227651 /nfs/dbraw/zinc/22/76/51/1422227651.db2.gz VFYGPBRVODVPDN-VXKWHMMOSA-N 0 1 399.510 3.252 20 0 GGADMN COc1ccc(-n2nc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2C)cc1 ZINC000179754785 1429540390 /nfs/dbraw/zinc/54/03/90/1429540390.db2.gz JUCZMYDANAAUMB-SFHVURJKSA-N 0 1 384.505 3.284 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1 ZINC000179754703 1429540696 /nfs/dbraw/zinc/54/06/96/1429540696.db2.gz JJZXXRZAGVXSPP-UHFFFAOYSA-N 0 1 398.282 3.302 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000152749692 1422235935 /nfs/dbraw/zinc/23/59/35/1422235935.db2.gz JJDQUANFKVGSIJ-UHFFFAOYSA-N 0 1 382.512 3.478 20 0 GGADMN CCOC(=O)c1oc2ccccc2c1CN1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000152760251 1422239956 /nfs/dbraw/zinc/23/99/56/1422239956.db2.gz FBOAZNZMOBFWSE-MOPGFXCFSA-N 0 1 387.476 3.361 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179755276 1429541350 /nfs/dbraw/zinc/54/13/50/1429541350.db2.gz AAMNLSXDNFCXET-XJKSGUPXSA-N 0 1 382.464 3.323 20 0 GGADMN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000152784850 1422247082 /nfs/dbraw/zinc/24/70/82/1422247082.db2.gz VUODAANDWVENLU-UHFFFAOYSA-N 0 1 387.371 3.278 20 0 GGADMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1S(C)(=O)=O ZINC000152785317 1422247913 /nfs/dbraw/zinc/24/79/13/1422247913.db2.gz ZSVDQOSMEQRSDD-UHFFFAOYSA-N 0 1 381.519 3.497 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N[C@@H](CC(C)C)c1ccccc1)CC2 ZINC000152790074 1422249726 /nfs/dbraw/zinc/24/97/26/1422249726.db2.gz LEMUGNFPTKWVIO-PCCBWWKXSA-N 0 1 388.552 3.142 20 0 GGADMN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179756298 1429542248 /nfs/dbraw/zinc/54/22/48/1429542248.db2.gz NHYGMDCCTYXBLU-OAHLLOKOSA-N 0 1 387.390 3.444 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1C ZINC000179756306 1429542255 /nfs/dbraw/zinc/54/22/55/1429542255.db2.gz RBLLHLSWWWHDMC-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1c3ccccc3sc1C(=O)OC)CC2 ZINC000152807037 1422256437 /nfs/dbraw/zinc/25/64/37/1422256437.db2.gz RSEGFJSDFURUOZ-ZWKOTPCHSA-N 0 1 389.517 3.440 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@H]3C[C@@H](C)O)n2)ccc1OC(F)F ZINC000152815740 1422259372 /nfs/dbraw/zinc/25/93/72/1422259372.db2.gz SBDRWGXYTTYACT-YPMHNXCESA-N 0 1 383.395 3.082 20 0 GGADMN CCOC(=O)c1cnc(C(=O)N2CCN(CCC(C)(C)C)CC2)c(Cl)c1 ZINC000152820947 1422261461 /nfs/dbraw/zinc/26/14/61/1422261461.db2.gz NCXHUWLOWCZSFL-UHFFFAOYSA-N 0 1 381.904 3.106 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000152822774 1422261742 /nfs/dbraw/zinc/26/17/42/1422261742.db2.gz SQAADSUVMLBQOK-SJLPKXTDSA-N 0 1 384.524 3.344 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000152822477 1422261768 /nfs/dbraw/zinc/26/17/68/1422261768.db2.gz SQAADSUVMLBQOK-WMZOPIPTSA-N 0 1 384.524 3.344 20 0 GGADMN Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000152842443 1422267884 /nfs/dbraw/zinc/26/78/84/1422267884.db2.gz WATRYAYKMXNNAM-UHFFFAOYSA-N 0 1 378.432 3.063 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1nn(-c3ccccc3)c3c1CCC3)CC2 ZINC000152841271 1422268230 /nfs/dbraw/zinc/26/82/30/1422268230.db2.gz JWGZPTMYQSXRKG-FGZHOGPDSA-N 0 1 381.520 3.113 20 0 GGADMN COc1cc(CNC2(c3cccc(F)c3)CC2)cc(Cl)c1OCC(N)=O ZINC000152851014 1422270967 /nfs/dbraw/zinc/27/09/67/1422270967.db2.gz VCZJUVYYIGXUHR-UHFFFAOYSA-N 0 1 378.831 3.131 20 0 GGADMN COc1ccc2oc(C)c(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c2c1 ZINC000152853159 1422271994 /nfs/dbraw/zinc/27/19/94/1422271994.db2.gz QHSPUIJRETXYHN-UHFFFAOYSA-N 0 1 381.432 3.163 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)C(=O)Nc1ccc3ccccc3c1)CC2 ZINC000152854985 1422272745 /nfs/dbraw/zinc/27/27/45/1422272745.db2.gz XEGWYCIEIXGTBQ-ZLGUVYLKSA-N 0 1 382.504 3.419 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000152858564 1422273348 /nfs/dbraw/zinc/27/33/48/1422273348.db2.gz ZVHVAGVZBHKSGJ-UHFFFAOYSA-N 0 1 390.487 3.460 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H](O)c1ccccc1Cl ZINC000152860006 1422274225 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1 389.452 3.126 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000152993076 1422319966 /nfs/dbraw/zinc/31/99/66/1422319966.db2.gz DORKKIJPJQDWJT-QGZVFWFLSA-N 0 1 397.494 3.421 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179764194 1429547629 /nfs/dbraw/zinc/54/76/29/1429547629.db2.gz WHAUJMQRNPNTTO-INIZCTEOSA-N 0 1 395.503 3.353 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000153044560 1422337447 /nfs/dbraw/zinc/33/74/47/1422337447.db2.gz NKIPQDLASXKNQS-AWEZNQCLSA-N 0 1 390.422 3.278 20 0 GGADMN Cc1ccc(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000153049614 1422339232 /nfs/dbraw/zinc/33/92/32/1422339232.db2.gz DKVDWGAMVRMMAX-FQEVSTJZSA-N 0 1 388.471 3.460 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)N2CCCC2)o1 ZINC000153053754 1422340825 /nfs/dbraw/zinc/34/08/25/1422340825.db2.gz GCJXSUOULSKWIO-XIRDDKMYSA-N 0 1 375.469 3.129 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)N2CCCC2)o1 ZINC000153054881 1422341233 /nfs/dbraw/zinc/34/12/33/1422341233.db2.gz PJKUTOPQXATJND-NZSAHSFTSA-N 0 1 385.512 3.214 20 0 GGADMN CN(Cc1ccccc1NC(=O)NC[C@@H]1CCCS1(=O)=O)C1CCCCC1 ZINC000153061931 1422343439 /nfs/dbraw/zinc/34/34/39/1422343439.db2.gz NNHKGCFBGAFCFV-SFHVURJKSA-N 0 1 393.553 3.150 20 0 GGADMN O=C(Cc1cccc(OCC(F)(F)F)c1)NCCN1CCc2ccccc2C1 ZINC000153062474 1422343788 /nfs/dbraw/zinc/34/37/88/1422343788.db2.gz LZKCGPLNPAKHGU-UHFFFAOYSA-N 0 1 392.421 3.345 20 0 GGADMN O=C(Nc1ccccc1O)C1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000179767282 1429549615 /nfs/dbraw/zinc/54/96/15/1429549615.db2.gz JTCCOVIYXPVDGH-UHFFFAOYSA-N 0 1 380.492 3.238 20 0 GGADMN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000153075188 1422347714 /nfs/dbraw/zinc/34/77/14/1422347714.db2.gz QXBWHJNFRYNVJD-GOSISDBHSA-N 0 1 379.439 3.318 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179767489 1429549669 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O=C(NC[C@H]1CCCC[C@@H]1O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000153106444 1422358879 /nfs/dbraw/zinc/35/88/79/1422358879.db2.gz JJSHSVUMFPIWFX-APWZRJJASA-N 0 1 379.932 3.155 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)cc(F)c1)c1ccsc1 ZINC000153130947 1422367391 /nfs/dbraw/zinc/36/73/91/1422367391.db2.gz TVDRQLPIMUSVNT-QGZVFWFLSA-N 0 1 377.485 3.333 20 0 GGADMN C[C@H](NC(=O)c1ccc(F)cc1O)c1cc(F)ccc1N1CCC(O)CC1 ZINC000153134815 1422367807 /nfs/dbraw/zinc/36/78/07/1422367807.db2.gz WFKDSXSIOHDPEY-LBPRGKRZSA-N 0 1 376.403 3.123 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@@H](C)N2CC=C(c3cc(C)cc(C)c3)CC2)CC1 ZINC000179774736 1429554633 /nfs/dbraw/zinc/55/46/33/1429554633.db2.gz VXNSEILDTMLVIF-GOSISDBHSA-N 0 1 384.520 3.193 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NC[C@@]3(C)CCCS3)CC2)cc1 ZINC000153151596 1422373040 /nfs/dbraw/zinc/37/30/40/1422373040.db2.gz JZYXWZJHISEPOQ-HXUWFJFHSA-N 0 1 377.554 3.198 20 0 GGADMN COc1ccc(COC[C@@H](O)CN2CCc3ccc(Cl)cc3C2)cc1OC ZINC000153159483 1422376483 /nfs/dbraw/zinc/37/64/83/1422376483.db2.gz QIHDGHZIBCWKCB-IBGZPJMESA-N 0 1 391.895 3.293 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000153169263 1422380023 /nfs/dbraw/zinc/38/00/23/1422380023.db2.gz BQARQGDRYOCVNU-JXFKEZNVSA-N 0 1 397.544 3.125 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)cc(OC)c1 ZINC000153179047 1422383162 /nfs/dbraw/zinc/38/31/62/1422383162.db2.gz ZKLQKHNZWODIOG-OAHLLOKOSA-N 0 1 390.867 3.067 20 0 GGADMN Cc1cccc([C@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C(F)(F)F)c1 ZINC000153184333 1422384839 /nfs/dbraw/zinc/38/48/39/1422384839.db2.gz KEWPUJDSRXDTKF-WMZOPIPTSA-N 0 1 399.457 3.352 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000153186691 1422385573 /nfs/dbraw/zinc/38/55/73/1422385573.db2.gz JOUZLKGKKDSNTC-UHFFFAOYSA-N 0 1 384.399 3.437 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000153195350 1422389064 /nfs/dbraw/zinc/38/90/64/1422389064.db2.gz AWAQZUJZCYOYHD-KXBFYZLASA-N 0 1 385.895 3.224 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000153200927 1422390895 /nfs/dbraw/zinc/39/08/95/1422390895.db2.gz VQXODCAHXYJXOV-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000153202162 1422391431 /nfs/dbraw/zinc/39/14/31/1422391431.db2.gz JCUHQOWMHIHCNC-VDGAXYAQSA-N 0 1 393.487 3.428 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000153206935 1422392700 /nfs/dbraw/zinc/39/27/00/1422392700.db2.gz UUJKEBSLLNEZOM-VGSWGCGISA-N 0 1 387.483 3.415 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)NC1CCN(c2cccs2)CC1 ZINC000153213551 1422395926 /nfs/dbraw/zinc/39/59/26/1422395926.db2.gz DWBCMKYBUDXRON-UHFFFAOYSA-N 0 1 399.564 3.076 20 0 GGADMN C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C[C@H](C)N1 ZINC000153213535 1422395960 /nfs/dbraw/zinc/39/59/60/1422395960.db2.gz BBZCFLZWXMMIQX-YRNRMSPPSA-N 0 1 399.922 3.410 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ncccc2C(F)(F)F)c1 ZINC000153223927 1422399603 /nfs/dbraw/zinc/39/96/03/1422399603.db2.gz ZPSXGGOMMXJZHQ-QGZVFWFLSA-N 0 1 378.398 3.162 20 0 GGADMN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000153225442 1422400608 /nfs/dbraw/zinc/40/06/08/1422400608.db2.gz BZKSJTXAGVGERL-HNNXBMFYSA-N 0 1 377.231 3.242 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H](c3cccc(C)c3)C(F)(F)F)C2)CC1 ZINC000153229180 1422404973 /nfs/dbraw/zinc/40/49/73/1422404973.db2.gz GWMJWMPKUXVAPQ-ZWKOTPCHSA-N 0 1 398.473 3.020 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000153229234 1422405433 /nfs/dbraw/zinc/40/54/33/1422405433.db2.gz VNFNCTXCEMQYTB-YOEHRIQHSA-N 0 1 387.505 3.174 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000153229347 1422405519 /nfs/dbraw/zinc/40/55/19/1422405519.db2.gz VNFNCTXCEMQYTB-PBHICJAKSA-N 0 1 387.505 3.174 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(-c2ncco2)cc1 ZINC000153241922 1422413866 /nfs/dbraw/zinc/41/38/66/1422413866.db2.gz 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GGADMN CCC[C@H]1CN(C(=O)c2ccccc2NCc2cccnc2)CCN1CCOC ZINC000153693399 1422705594 /nfs/dbraw/zinc/70/55/94/1422705594.db2.gz PDQAAOQLFSBIDS-FQEVSTJZSA-N 0 1 396.535 3.267 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000153711898 1422714654 /nfs/dbraw/zinc/71/46/54/1422714654.db2.gz FLUBTJKUKSNYNT-KRWDZBQOSA-N 0 1 397.441 3.244 20 0 GGADMN C[C@@H](CNC(=O)N[C@H](CCCO)c1ccccc1)N1CCc2ccccc2C1 ZINC000153713454 1422715458 /nfs/dbraw/zinc/71/54/58/1422715458.db2.gz GBZMNDKKLTZXSH-PGRDOPGGSA-N 0 1 381.520 3.246 20 0 GGADMN C[C@@H](CNC(=O)N[C@@H](CCCO)c1ccccc1)N1CCc2ccccc2C1 ZINC000153713241 1422715567 /nfs/dbraw/zinc/71/55/67/1422715567.db2.gz GBZMNDKKLTZXSH-AVRDEDQJSA-N 0 1 381.520 3.246 20 0 GGADMN C[C@H](CNC(=O)N[C@H](CCCO)c1ccccc1)N1CCc2ccccc2C1 ZINC000153713555 1422716038 /nfs/dbraw/zinc/71/60/38/1422716038.db2.gz GBZMNDKKLTZXSH-XMSQKQJNSA-N 0 1 381.520 3.246 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000153712008 1422716520 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GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000153769603 1422746608 /nfs/dbraw/zinc/74/66/08/1422746608.db2.gz JHHDASGOJMAMCX-INIZCTEOSA-N 0 1 380.414 3.303 20 0 GGADMN C[C@H](OC[C@@H](O)CN1CCN(c2cccc(O)c2)CC1)c1ccc(Cl)cc1 ZINC000153778257 1422751276 /nfs/dbraw/zinc/75/12/76/1422751276.db2.gz FHYSDHIQBJGJOL-KKSFZXQISA-N 0 1 390.911 3.306 20 0 GGADMN C[C@H](OC[C@H](O)CN1CCN(c2cccc(O)c2)CC1)c1ccc(Cl)cc1 ZINC000153778023 1422751472 /nfs/dbraw/zinc/75/14/72/1422751472.db2.gz FHYSDHIQBJGJOL-HRAATJIYSA-N 0 1 390.911 3.306 20 0 GGADMN CN(CCNC(=O)N[C@@H]1CCOC2(CCCCC2)C1)Cc1ccc(F)cc1 ZINC000153780139 1422753060 /nfs/dbraw/zinc/75/30/60/1422753060.db2.gz YAYUKIMMJHIRGI-LJQANCHMSA-N 0 1 377.504 3.439 20 0 GGADMN Cc1c2ccccc2oc1CNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000153781737 1422754312 /nfs/dbraw/zinc/75/43/12/1422754312.db2.gz YDTGIGMGYLQKDI-MOPGFXCFSA-N 0 1 393.487 3.176 20 0 GGADMN Cc1c2ccccc2oc1CNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000153781623 1422754366 /nfs/dbraw/zinc/75/43/66/1422754366.db2.gz YDTGIGMGYLQKDI-OALUTQOASA-N 0 1 393.487 3.176 20 0 GGADMN Cc1cccnc1[C@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C(C)C ZINC000153786403 1422757875 /nfs/dbraw/zinc/75/78/75/1422757875.db2.gz SMCGFGQKTMHJQJ-PCCBWWKXSA-N 0 1 396.535 3.022 20 0 GGADMN CC(C)c1c(C(=O)N2C[C@H](C)N[C@@H](C)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000153793057 1422761324 /nfs/dbraw/zinc/76/13/24/1422761324.db2.gz HDTXMCNVCIYXLA-STQMWFEESA-N 0 1 395.429 3.232 20 0 GGADMN CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[C@@H]1CCCN(C)C1 ZINC000153794790 1422762224 /nfs/dbraw/zinc/76/22/24/1422762224.db2.gz FBHDEGDONNRIRM-MRXNPFEDSA-N 0 1 381.505 3.162 20 0 GGADMN O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179811359 1429584830 /nfs/dbraw/zinc/58/48/30/1429584830.db2.gz VXHLRZOHLRZJSB-KRWDZBQOSA-N 0 1 391.479 3.338 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179810803 1429584340 /nfs/dbraw/zinc/58/43/40/1429584340.db2.gz BWJYDQWDAFJNHW-QAPCUYQASA-N 0 1 397.479 3.261 20 0 GGADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000153811020 1422771734 /nfs/dbraw/zinc/77/17/34/1422771734.db2.gz ITZCHRZEJUMHSF-CYBMUJFWSA-N 0 1 398.410 3.222 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000153820328 1422778259 /nfs/dbraw/zinc/77/82/59/1422778259.db2.gz OKSYHEBKDYTUFS-RTWAWAEBSA-N 0 1 397.519 3.498 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000153820425 1422778785 /nfs/dbraw/zinc/77/87/85/1422778785.db2.gz OKSYHEBKDYTUFS-LEWJYISDSA-N 0 1 397.519 3.498 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000153820239 1422778981 /nfs/dbraw/zinc/77/89/81/1422778981.db2.gz OKSYHEBKDYTUFS-SFTDATJTSA-N 0 1 397.519 3.498 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1C(=O)N(C)C ZINC000179812585 1429586066 /nfs/dbraw/zinc/58/60/66/1429586066.db2.gz DNWNVGVQSPKEMW-OAHLLOKOSA-N 0 1 396.495 3.104 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000737639945 1429585976 /nfs/dbraw/zinc/58/59/76/1429585976.db2.gz IIWYIQNIUDRKFP-UHFFFAOYSA-N 0 1 380.471 3.151 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000737639945 1429585980 /nfs/dbraw/zinc/58/59/80/1429585980.db2.gz IIWYIQNIUDRKFP-UHFFFAOYSA-N 0 1 380.471 3.151 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000737639945 1429585983 /nfs/dbraw/zinc/58/59/83/1429585983.db2.gz IIWYIQNIUDRKFP-UHFFFAOYSA-N 0 1 380.471 3.151 20 0 GGADMN Cc1c(C(=O)N2C[C@@H](C)N[C@H](C)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000153859345 1422800703 /nfs/dbraw/zinc/80/07/03/1422800703.db2.gz VHUGVDVMFRDYIJ-HZPDHXFCSA-N 0 1 375.476 3.065 20 0 GGADMN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1nc2ccccc2o1 ZINC000153867282 1422801693 /nfs/dbraw/zinc/80/16/93/1422801693.db2.gz ZHRZVTWBLZQNBO-UHFFFAOYSA-N 0 1 386.839 3.041 20 0 GGADMN CCSCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179814544 1429588017 /nfs/dbraw/zinc/58/80/17/1429588017.db2.gz ZOPSWTCDDIPVKC-JTQLQIEISA-N 0 1 384.452 3.429 20 0 GGADMN CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000153884906 1422805108 /nfs/dbraw/zinc/80/51/08/1422805108.db2.gz WBKHQQUIYGREOQ-BJLQDIEVSA-N 0 1 377.573 3.040 20 0 GGADMN CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000153884663 1422805124 /nfs/dbraw/zinc/80/51/24/1422805124.db2.gz WBKHQQUIYGREOQ-NSHGMRRFSA-N 0 1 377.573 3.040 20 0 GGADMN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C[C@@H](C)N1 ZINC000153885283 1422805287 /nfs/dbraw/zinc/80/52/87/1422805287.db2.gz XVZFFUNMKTZBBH-GHMZBOCLSA-N 0 1 386.805 3.367 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000153897361 1422806995 /nfs/dbraw/zinc/80/69/95/1422806995.db2.gz OLZHDALPZJDUHU-INIZCTEOSA-N 0 1 378.542 3.143 20 0 GGADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000153895925 1422807114 /nfs/dbraw/zinc/80/71/14/1422807114.db2.gz HKUCCENNAZKAND-HNNXBMFYSA-N 0 1 393.495 3.115 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2ccccc2C(C)(C)C)CC1 ZINC000153917845 1422810812 /nfs/dbraw/zinc/81/08/12/1422810812.db2.gz GJBWSHPBGOEWSO-UHFFFAOYSA-N 0 1 387.568 3.341 20 0 GGADMN CCn1cc(C(=O)C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cn1 ZINC000153928916 1422812334 /nfs/dbraw/zinc/81/23/34/1422812334.db2.gz WCYFPLCRPWNWTC-UHFFFAOYSA-N 0 1 377.379 3.407 20 0 GGADMN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153952140 1422815923 /nfs/dbraw/zinc/81/59/23/1422815923.db2.gz DMTIANZKFHMSIY-HNNXBMFYSA-N 0 1 381.480 3.438 20 0 GGADMN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000153952044 1422816009 /nfs/dbraw/zinc/81/60/09/1422816009.db2.gz DMTIANZKFHMSIY-OAHLLOKOSA-N 0 1 381.480 3.438 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000153969057 1422819052 /nfs/dbraw/zinc/81/90/52/1422819052.db2.gz AYZPKRQWCWKEMF-INIZCTEOSA-N 0 1 382.464 3.214 20 0 GGADMN COc1ccc([C@H](CNCc2ccn(-c3ccccc3)n2)N2CCOCC2)cc1 ZINC000153970527 1422819343 /nfs/dbraw/zinc/81/93/43/1422819343.db2.gz GRRPJWUQMDVDHM-QHCPKHFHSA-N 0 1 392.503 3.044 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000153973911 1422819807 /nfs/dbraw/zinc/81/98/07/1422819807.db2.gz URQDHJHBPYMQEN-GOSISDBHSA-N 0 1 375.513 3.214 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N(CC)Cc2cccc(Cl)c2)CC1 ZINC000153987183 1422821139 /nfs/dbraw/zinc/82/11/39/1422821139.db2.gz WATQVMSDVBBDNV-HNNXBMFYSA-N 0 1 380.916 3.352 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1F ZINC000153989983 1422821878 /nfs/dbraw/zinc/82/18/78/1422821878.db2.gz WIZAOEBJSCVZOY-UHFFFAOYSA-N 0 1 385.483 3.440 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2nccnc2c1 ZINC000153992306 1422822284 /nfs/dbraw/zinc/82/22/84/1422822284.db2.gz BDKVAUVWBRATDU-KRWDZBQOSA-N 0 1 396.878 3.383 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)CC(=O)NCCc2nc3ccccc3s2)C12CCC2 ZINC000154015461 1422825908 /nfs/dbraw/zinc/82/59/08/1422825908.db2.gz HKBUMNIFLXSOPK-ZWKOTPCHSA-N 0 1 387.549 3.235 20 0 GGADMN CCN1CCN(c2ccc(CNC(=O)N(C)C3CCC(C)(C)CC3)cn2)CC1 ZINC000154016690 1422826147 /nfs/dbraw/zinc/82/61/47/1422826147.db2.gz JTOGTUYJSBSCRY-UHFFFAOYSA-N 0 1 387.572 3.334 20 0 GGADMN CCCCN(CCO)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000154031635 1422828769 /nfs/dbraw/zinc/82/87/69/1422828769.db2.gz JCJPFWNHJYVQFG-UHFFFAOYSA-N 0 1 383.492 3.280 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)C12CCC2 ZINC000154035055 1422829381 /nfs/dbraw/zinc/82/93/81/1422829381.db2.gz SMBMZBVYBGXUEI-NHCUHLMSSA-N 0 1 381.520 3.332 20 0 GGADMN CCO[C@H]1C[C@H](N(C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)C12CCC2 ZINC000154034947 1422829414 /nfs/dbraw/zinc/82/94/14/1422829414.db2.gz SMBMZBVYBGXUEI-SFTDATJTSA-N 0 1 381.520 3.332 20 0 GGADMN CCO[C@H](CCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(C)C ZINC000179817510 1429589964 /nfs/dbraw/zinc/58/99/64/1429589964.db2.gz SVAKGEVNPQYAPF-CQSZACIVSA-N 0 1 382.411 3.006 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154052381 1422832319 /nfs/dbraw/zinc/83/23/19/1422832319.db2.gz VCUHANUCMBBQRG-TXEJJXNPSA-N 0 1 381.307 3.369 20 0 GGADMN O=C(CN1CC[C@]2(CCOC2)C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000154057763 1422833273 /nfs/dbraw/zinc/83/32/73/1422833273.db2.gz QNVQHOPVDUNVGL-VXKWHMMOSA-N 0 1 382.529 3.335 20 0 GGADMN CCN(CCc1ccccc1)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000154067322 1422835081 /nfs/dbraw/zinc/83/50/81/1422835081.db2.gz CAZCIRHJMNGISW-IBGZPJMESA-N 0 1 381.520 3.311 20 0 GGADMN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1S(=O)(=O)C(C)C ZINC000154074182 1422836129 /nfs/dbraw/zinc/83/61/29/1422836129.db2.gz OTXYICDLGIDOGA-QGZVFWFLSA-N 0 1 380.554 3.109 20 0 GGADMN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc(-c2nnc[nH]2)c1 ZINC000154098978 1422840218 /nfs/dbraw/zinc/84/02/18/1422840218.db2.gz TVVRBJWQIBTYKE-MRXNPFEDSA-N 0 1 395.850 3.051 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](CC(=O)N2C[C@@H](C)N[C@@H](C)C2)c2ccccc2)cc1 ZINC000154110770 1422841823 /nfs/dbraw/zinc/84/18/23/1422841823.db2.gz NUKHHVVAXCNSJK-UEXGIBASSA-N 0 1 379.504 3.065 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000154116590 1422842957 /nfs/dbraw/zinc/84/29/57/1422842957.db2.gz ARPAUORQRKPZIU-OAHLLOKOSA-N 0 1 387.505 3.095 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000821809505 1429596725 /nfs/dbraw/zinc/59/67/25/1429596725.db2.gz OATLQUHNHMKUPI-IBGZPJMESA-N 0 1 392.507 3.020 20 0 GGADMN Cc1cc(C)c(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 ZINC000154148930 1422846939 /nfs/dbraw/zinc/84/69/39/1422846939.db2.gz BMYNEBKTSJUJFO-UHFFFAOYSA-N 0 1 376.504 3.166 20 0 GGADMN Cc1cc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)ccc1-n1cnnn1 ZINC000154147761 1422846984 /nfs/dbraw/zinc/84/69/84/1422846984.db2.gz HZSCACQINXBNOU-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN CCOc1ccc(-c2nc(CN(CCC(=O)OC)C3CCOCC3)co2)cc1 ZINC000154174177 1422850521 /nfs/dbraw/zinc/85/05/21/1422850521.db2.gz WMTSETRIIOXZET-UHFFFAOYSA-N 0 1 388.464 3.284 20 0 GGADMN [NH3+]CCCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000154175994 1422850787 /nfs/dbraw/zinc/85/07/87/1422850787.db2.gz VEFGZTAACMGTJZ-UHFFFAOYSA-N 0 1 379.457 3.084 20 0 GGADMN Cn1cc([C@H](NCCc2cc(F)cc3c2OCOC3)c2cccc(F)c2)cn1 ZINC000154190846 1422852553 /nfs/dbraw/zinc/85/25/53/1422852553.db2.gz GVCUJOIBJQSBRI-HXUWFJFHSA-N 0 1 385.414 3.487 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000154197988 1422853761 /nfs/dbraw/zinc/85/37/61/1422853761.db2.gz SVVLGVSNNPUMGW-ZHRRBRCNSA-N 0 1 395.503 3.405 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179822923 1429595751 /nfs/dbraw/zinc/59/57/51/1429595751.db2.gz URSAGDXARDTPBJ-CYBMUJFWSA-N 0 1 384.386 3.488 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000154203903 1422854588 /nfs/dbraw/zinc/85/45/88/1422854588.db2.gz PPQZHFGZQPAXIG-MRXNPFEDSA-N 0 1 386.492 3.239 20 0 GGADMN CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc(C(F)(F)F)c1 ZINC000154216454 1422856739 /nfs/dbraw/zinc/85/67/39/1422856739.db2.gz IZQLIHOMRKTDAZ-UHFFFAOYSA-N 0 1 379.298 3.294 20 0 GGADMN O=C(/C=C/SCc1ccco1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154216492 1422856805 /nfs/dbraw/zinc/85/68/05/1422856805.db2.gz RQXHEOFHBRRGJW-IEYVCLCVSA-N 0 1 386.517 3.026 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000154234750 1422859727 /nfs/dbraw/zinc/85/97/27/1422859727.db2.gz SZQLXWGPADYIKY-LJQANCHMSA-N 0 1 396.487 3.310 20 0 GGADMN Cc1coc(-c2cc(NC(=O)N3CCN(C4CCOCC4)CC3)ccc2C)n1 ZINC000154237480 1422860119 /nfs/dbraw/zinc/86/01/19/1422860119.db2.gz ZVCXDCHRUDGOPC-UHFFFAOYSA-N 0 1 384.480 3.287 20 0 GGADMN CC[C@](C)(CCO)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154238464 1422860468 /nfs/dbraw/zinc/86/04/68/1422860468.db2.gz HMWLPCHDSNKXDI-FUHWJXTLSA-N 0 1 387.446 3.130 20 0 GGADMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000154248112 1422861306 /nfs/dbraw/zinc/86/13/06/1422861306.db2.gz NYLPJVMZOOEZRF-UHFFFAOYSA-N 0 1 379.807 3.074 20 0 GGADMN O=C(C/C=C/c1ccccc1F)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154248063 1422861495 /nfs/dbraw/zinc/86/14/95/1422861495.db2.gz IUPNBOWJCFYKJX-WUYMNEJTSA-N 0 1 382.479 3.228 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC3CC3)CC2)ccc1NC(=O)c1ccco1 ZINC000154256617 1422862813 /nfs/dbraw/zinc/86/28/13/1422862813.db2.gz BNTDWDZQKYEZOF-UHFFFAOYSA-N 0 1 382.464 3.400 20 0 GGADMN Cc1nc(COc2ccccc2C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)no1 ZINC000154257626 1422862907 /nfs/dbraw/zinc/86/29/07/1422862907.db2.gz BLDFNBDVKVQEMI-SFHVURJKSA-N 0 1 398.438 3.129 20 0 GGADMN C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc2c(c1)OCO2 ZINC000154263402 1422863673 /nfs/dbraw/zinc/86/36/73/1422863673.db2.gz VWQFHIACXBUSED-KXBFYZLASA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H](NCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000154267579 1422864341 /nfs/dbraw/zinc/86/43/41/1422864341.db2.gz LXZPFBWBKOAWST-CQSZACIVSA-N 0 1 393.409 3.453 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000154269840 1422864519 /nfs/dbraw/zinc/86/45/19/1422864519.db2.gz FSWWFNKTWXFYAE-MCIONIFRSA-N 0 1 399.532 3.102 20 0 GGADMN CN(CC(=O)N[C@H](CC1CCCC1)c1ccccc1)c1ncnc2[nH]cnc21 ZINC000154269524 1422864648 /nfs/dbraw/zinc/86/46/48/1422864648.db2.gz AXWDRAKZXKGIIO-QGZVFWFLSA-N 0 1 378.480 3.227 20 0 GGADMN CCCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000154268226 1422864667 /nfs/dbraw/zinc/86/46/67/1422864667.db2.gz TXAPFFXHLIHELC-KRWDZBQOSA-N 0 1 380.554 3.111 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(F)cc1 ZINC000154272570 1422865259 /nfs/dbraw/zinc/86/52/59/1422865259.db2.gz VCQAMHJPLSCYLY-HXUWFJFHSA-N 0 1 383.467 3.231 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000154276354 1422865942 /nfs/dbraw/zinc/86/59/42/1422865942.db2.gz SAMVVEYUJKFDPM-SFHVURJKSA-N 0 1 397.567 3.157 20 0 GGADMN Cc1nc2cc(NC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2n1C ZINC000154280608 1422866423 /nfs/dbraw/zinc/86/64/23/1422866423.db2.gz SHGXOSPKCHFJTI-UHFFFAOYSA-N 0 1 398.532 3.455 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(Cl)c1F ZINC000154280856 1422866431 /nfs/dbraw/zinc/86/64/31/1422866431.db2.gz KMFSHYKKCPSSJC-MAUKXSAKSA-N 0 1 376.859 3.092 20 0 GGADMN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000154281901 1422866604 /nfs/dbraw/zinc/86/66/04/1422866604.db2.gz VVOSMSPQGOXCHK-INIZCTEOSA-N 0 1 392.459 3.338 20 0 GGADMN CC(=O)N[C@@H]1CCCN(C(=O)CNC(c2cccc(C)c2)c2cccc(C)c2)C1 ZINC000154286291 1422867409 /nfs/dbraw/zinc/86/74/09/1422867409.db2.gz FXFUYRWSJDRCAQ-JOCHJYFZSA-N 0 1 393.531 3.110 20 0 GGADMN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000154306493 1422870356 /nfs/dbraw/zinc/87/03/56/1422870356.db2.gz OHYMDSBXXLLKMU-GOSISDBHSA-N 0 1 380.554 3.109 20 0 GGADMN CCCCc1nc2ccc(NC(=O)CNC(=O)c3ccccc3OC)cc2[nH]1 ZINC000154315382 1422871693 /nfs/dbraw/zinc/87/16/93/1422871693.db2.gz MWMFJWBUOZSAEM-UHFFFAOYSA-N 0 1 380.448 3.283 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCc3cc4ccccc4[nH]3)n2)cc1 ZINC000154327953 1422873267 /nfs/dbraw/zinc/87/32/67/1422873267.db2.gz JZGSCMCIBDMYDW-UHFFFAOYSA-N 0 1 390.447 3.004 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCc3cc4ccccc4[nH]3)n[nH]2)cc1 ZINC000154327953 1422873273 /nfs/dbraw/zinc/87/32/73/1422873273.db2.gz JZGSCMCIBDMYDW-UHFFFAOYSA-N 0 1 390.447 3.004 20 0 GGADMN COc1cccc2cc(C(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)oc21 ZINC000154329697 1422873692 /nfs/dbraw/zinc/87/36/92/1422873692.db2.gz VRZMLOYZDKBVCU-MOPGFXCFSA-N 0 1 394.471 3.054 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)NCc3nc4ccc(F)cc4[nH]3)[nH]2)c1 ZINC000154344429 1422875829 /nfs/dbraw/zinc/87/58/29/1422875829.db2.gz WZRQHVOBMDAPDA-UHFFFAOYSA-N 0 1 379.395 3.339 20 0 GGADMN COc1ccccc1C(=O)NCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000154353337 1422877206 /nfs/dbraw/zinc/87/72/06/1422877206.db2.gz QCSIXZFFRCHRSY-UHFFFAOYSA-N 0 1 378.432 3.208 20 0 GGADMN CC(C)CN1CCCC[C@H]1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000154354549 1422877341 /nfs/dbraw/zinc/87/73/41/1422877341.db2.gz UKVKFDRGZWAABZ-AEFFLSMTSA-N 0 1 398.544 3.005 20 0 GGADMN COc1cccc(-c2nc([C@H]3NC(=N)Nc4nc5ccccc5n43)cs2)c1 ZINC000154357500 1422877849 /nfs/dbraw/zinc/87/78/49/1422877849.db2.gz MVCCTNGGUXQYBF-INIZCTEOSA-N 0 1 376.445 3.265 20 0 GGADMN CC(C)[C@H](NCCCCN1C(=O)c2ccccc2C1=O)c1nc(C2CC2)no1 ZINC000179818974 1429592250 /nfs/dbraw/zinc/59/22/50/1429592250.db2.gz CGAGMFHQFNVLAJ-KRWDZBQOSA-N 0 1 382.464 3.310 20 0 GGADMN COc1cccc(-c2nc([C@@H]3NC(=N)Nc4nc5ccccc5n43)cs2)c1 ZINC000154357387 1422878022 /nfs/dbraw/zinc/87/80/22/1422878022.db2.gz MVCCTNGGUXQYBF-MRXNPFEDSA-N 0 1 376.445 3.265 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1n[nH]c2c1cccc2Cl ZINC000154374083 1422880390 /nfs/dbraw/zinc/88/03/90/1422880390.db2.gz KWUJSANNCWDIQD-UHFFFAOYSA-N 0 1 399.863 3.244 20 0 GGADMN O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(CN2CCOCC2)CC1 ZINC000154392505 1422882827 /nfs/dbraw/zinc/88/28/27/1422882827.db2.gz GKNPKIOCNJQYEN-UHFFFAOYSA-N 0 1 389.927 3.256 20 0 GGADMN C[C@H](NC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCCC1)C(=O)N(C)C ZINC000154413746 1422886114 /nfs/dbraw/zinc/88/61/14/1422886114.db2.gz KIXYYHKFRKBENK-IFXJQAMLSA-N 0 1 379.932 3.144 20 0 GGADMN CCOc1cc(CN2CCc3ccccc3C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000154425450 1422887225 /nfs/dbraw/zinc/88/72/25/1422887225.db2.gz TXQYZCXXTZVPFB-QGZVFWFLSA-N 0 1 382.504 3.499 20 0 GGADMN CCCOc1cc(CN[C@H]2CCN(c3ccccc3OC)C2=O)ccc1OC ZINC000154450261 1422890144 /nfs/dbraw/zinc/89/01/44/1422890144.db2.gz ZGNIBQMSJYKHRN-KRWDZBQOSA-N 0 1 384.476 3.388 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@](C)(O)c1ccccc1Cl)c1cccs1 ZINC000154456530 1422891097 /nfs/dbraw/zinc/89/10/97/1422891097.db2.gz XZAKLRNMMFECKU-QAPCUYQASA-N 0 1 381.929 3.211 20 0 GGADMN C[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000154458911 1422891410 /nfs/dbraw/zinc/89/14/10/1422891410.db2.gz VRWRHXBQGGYZGL-ZACQAIPSSA-N 0 1 376.520 3.469 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Cl ZINC000154461147 1422891767 /nfs/dbraw/zinc/89/17/67/1422891767.db2.gz BEBFCHFHGXXZLE-PXNSSMCTSA-N 0 1 391.899 3.277 20 0 GGADMN C[C@@](O)(CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Cl ZINC000154461267 1422891855 /nfs/dbraw/zinc/89/18/55/1422891855.db2.gz BEBFCHFHGXXZLE-YLJYHZDGSA-N 0 1 391.899 3.277 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000154469207 1422892504 /nfs/dbraw/zinc/89/25/04/1422892504.db2.gz SFYNXNUZMJKEGR-UHFFFAOYSA-N 0 1 395.503 3.134 20 0 GGADMN CN(CC(=O)NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000154502995 1422897456 /nfs/dbraw/zinc/89/74/56/1422897456.db2.gz KWXSTAIVRLUPHA-HXUWFJFHSA-N 0 1 384.545 3.362 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n[nH]1 ZINC000154511713 1422899017 /nfs/dbraw/zinc/89/90/17/1422899017.db2.gz DZTSJGMLAGVPGK-GOSISDBHSA-N 0 1 399.882 3.294 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000154515471 1422899104 /nfs/dbraw/zinc/89/91/04/1422899104.db2.gz IGAPPKHSLPRRBL-KRWDZBQOSA-N 0 1 391.943 3.125 20 0 GGADMN CC(C)(CNC(=O)c1cnc(C(F)(F)F)nc1)N1CCc2ccccc2C1 ZINC000154525432 1422902200 /nfs/dbraw/zinc/90/22/00/1422902200.db2.gz UGBQITDOFKFPFA-UHFFFAOYSA-N 0 1 378.398 3.062 20 0 GGADMN CC(C)N(CCCN1CCOCC1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154535226 1422909444 /nfs/dbraw/zinc/90/94/44/1422909444.db2.gz CQWXFPHZQRXIHJ-UHFFFAOYSA-N 0 1 378.904 3.323 20 0 GGADMN C[C@H]1COCCN1c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000154541544 1422915848 /nfs/dbraw/zinc/91/58/48/1422915848.db2.gz KIXFTNJAJDVOAM-NSHDSACASA-N 0 1 386.395 3.130 20 0 GGADMN C[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ncc(-c2ccccc2)o1 ZINC000154544833 1422919043 /nfs/dbraw/zinc/91/90/43/1422919043.db2.gz DOWVGVHTOJQYMC-QGZVFWFLSA-N 0 1 398.507 3.156 20 0 GGADMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000154559515 1422930496 /nfs/dbraw/zinc/93/04/96/1422930496.db2.gz AYTXNZMPYRTGFI-KUHUBIRLSA-N 0 1 383.467 3.412 20 0 GGADMN COc1ccc([C@H](CNC(=O)[C@H](O)c2ccccc2Cl)N2CCCC2)cc1 ZINC000154573559 1422939194 /nfs/dbraw/zinc/93/91/94/1422939194.db2.gz NUVJZQFJMHLNNB-VQTJNVASSA-N 0 1 388.895 3.335 20 0 GGADMN CCOc1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000154573207 1422939271 /nfs/dbraw/zinc/93/92/71/1422939271.db2.gz BHSVKIHRISTSGK-IBGZPJMESA-N 0 1 398.503 3.307 20 0 GGADMN COc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2)ccc1OC1CCCC1 ZINC000154573670 1422939719 /nfs/dbraw/zinc/93/97/19/1422939719.db2.gz ICAXGKFECAYNBV-FQEVSTJZSA-N 0 1 380.488 3.347 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(CN(C)C)c(F)c3)c12 ZINC000154576331 1422940799 /nfs/dbraw/zinc/94/07/99/1422940799.db2.gz RCOIOXDITFUGTH-UHFFFAOYSA-N 0 1 395.482 3.285 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)N(C)C ZINC000154577097 1422941456 /nfs/dbraw/zinc/94/14/56/1422941456.db2.gz KHQHBJBSKYQWOB-LLVKDONJSA-N 0 1 395.352 3.103 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000154580380 1422942897 /nfs/dbraw/zinc/94/28/97/1422942897.db2.gz VVTCRDMQJJTFOS-QZTJIDSGSA-N 0 1 398.507 3.156 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000154580620 1422943134 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CCOC(=O)c1ccsc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179829610 1429600122 /nfs/dbraw/zinc/60/01/22/1429600122.db2.gz ZTVOMYSFRSTREK-GFCCVEGCSA-N 0 1 389.481 3.332 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154633557 1422973051 /nfs/dbraw/zinc/97/30/51/1422973051.db2.gz RUHKLSDTLBPYJD-WGDIFIGCSA-N 0 1 385.451 3.478 20 0 GGADMN Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000154639323 1422977200 /nfs/dbraw/zinc/97/72/00/1422977200.db2.gz ZNJDQBKHRHPEHX-UHFFFAOYSA-N 0 1 399.564 3.145 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(-c4nnc[nH]4)c3)n2)c1 ZINC000154643775 1422979849 /nfs/dbraw/zinc/97/98/49/1422979849.db2.gz JXVCWTVOTVLELE-GFCCVEGCSA-N 0 1 390.403 3.021 20 0 GGADMN CN(C)[C@H](CNC(=O)CN[C@@H](c1ccccc1)C(F)(F)F)c1cccc(F)c1 ZINC000154652683 1422985406 /nfs/dbraw/zinc/98/54/06/1422985406.db2.gz HSLGTBHUVRCZSA-MJGOQNOKSA-N 0 1 397.416 3.438 20 0 GGADMN CNC(=O)CCCN(C)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000154657090 1422987624 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COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H](Nc2ccccc2)C1 ZINC000155053460 1423137343 /nfs/dbraw/zinc/13/73/43/1423137343.db2.gz HKKJUONIIFQQSN-LEWJYISDSA-N 0 1 398.503 3.214 20 0 GGADMN CCCN(CC(F)F)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000155063158 1423141602 /nfs/dbraw/zinc/14/16/02/1423141602.db2.gz REOKNFCFVJJJFO-IYBDPMFKSA-N 0 1 383.483 3.483 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000155075074 1423147581 /nfs/dbraw/zinc/14/75/81/1423147581.db2.gz ACXLFRPGPLYFTC-RXVVDRJESA-N 0 1 377.444 3.041 20 0 GGADMN Cc1cccc2nc(CNC(=O)CNC(=O)c3ccc(Cl)cc3Cl)[nH]c21 ZINC000155077969 1423147965 /nfs/dbraw/zinc/14/79/65/1423147965.db2.gz HJDCMEWYBGCPSY-UHFFFAOYSA-N 0 1 391.258 3.224 20 0 GGADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000179867651 1429617078 /nfs/dbraw/zinc/61/70/78/1429617078.db2.gz IVKIBWFHUSDWBK-UHFFFAOYSA-N 0 1 383.897 3.350 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc(C(=O)N2CCCC2)n1 ZINC000179867320 1429617255 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20 0 GGADMN COc1cc(N[C@H]2CCCN([C@@H](C)C(=O)NCc3ccccc3)C2)cc(OC)c1 ZINC000155124004 1423181760 /nfs/dbraw/zinc/18/17/60/1423181760.db2.gz DTGPJBYGRMMXLK-HKUYNNGSSA-N 0 1 397.519 3.285 20 0 GGADMN COc1ccc([C@H](C)NCc2cccc(OCCN3CCOCC3)c2)c(F)c1 ZINC000155153541 1423200021 /nfs/dbraw/zinc/20/00/21/1423200021.db2.gz LPMLXQWSDSCDEL-KRWDZBQOSA-N 0 1 388.483 3.396 20 0 GGADMN COc1cc(N[C@H]2CCCN(Cc3cccc(C(=O)N(C)C)c3)C2)cc(OC)c1 ZINC000155156124 1423200555 /nfs/dbraw/zinc/20/05/55/1423200555.db2.gz METWSFDZDWYBBB-IBGZPJMESA-N 0 1 397.519 3.482 20 0 GGADMN O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@H]1CCCN1C1CCOCC1 ZINC000155158595 1423201805 /nfs/dbraw/zinc/20/18/05/1423201805.db2.gz CIQZFMPOFPWKHY-OAQYLSRUSA-N 0 1 378.472 3.500 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2csc(-c3ccoc3)n2)N(C)C)c1 ZINC000155161772 1423203893 /nfs/dbraw/zinc/20/38/93/1423203893.db2.gz GMAVHRZLXAIBKS-SFHVURJKSA-N 0 1 385.489 3.373 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCc2cc(F)cc(F)c2)N(C)C)c1 ZINC000155161111 1423204165 /nfs/dbraw/zinc/20/41/65/1423204165.db2.gz KXCVMROCANPECM-LJQANCHMSA-N 0 1 377.435 3.118 20 0 GGADMN Cc1ccc([C@@H](NC(=O)CNC(C)(C)C(=O)NCC2CCCC2)C2CC2)cc1 ZINC000155165162 1423206000 /nfs/dbraw/zinc/20/60/00/1423206000.db2.gz XHBRZJOOCDVVEZ-OAQYLSRUSA-N 0 1 385.552 3.237 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cnn(-c2ccc(F)cc2)n1 ZINC000155170140 1423209008 /nfs/dbraw/zinc/20/90/08/1423209008.db2.gz JLAPNQGBDKQVTP-KRWDZBQOSA-N 0 1 385.468 3.035 20 0 GGADMN CC(C)(NCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)NCC1CCCC1 ZINC000155173676 1423211881 /nfs/dbraw/zinc/21/18/81/1423211881.db2.gz MDJRWIUXCVHLKK-UHFFFAOYSA-N 0 1 399.579 3.142 20 0 GGADMN COCCn1ccc2ccc(NS(=O)(=O)c3cnc(Cl)c(C)c3)cc21 ZINC000179885038 1429624006 /nfs/dbraw/zinc/62/40/06/1429624006.db2.gz CXODFJQJSGBZEM-UHFFFAOYSA-N 0 1 379.869 3.445 20 0 GGADMN COc1ccccc1OCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826220534 1423229421 /nfs/dbraw/zinc/22/94/21/1423229421.db2.gz QTRIMJATFHCFSQ-SFHVURJKSA-N 0 1 379.464 3.311 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1C)c1ccccc1 ZINC000155192638 1423232449 /nfs/dbraw/zinc/23/24/49/1423232449.db2.gz TXJFVDSGSPFTJB-OAQYLSRUSA-N 0 1 382.508 3.248 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000155196861 1423237155 /nfs/dbraw/zinc/23/71/55/1423237155.db2.gz PNRHGHLJUHVNHQ-CYBMUJFWSA-N 0 1 387.867 3.419 20 0 GGADMN CCOc1ccc(C(=O)c2ccccc2C(=O)N2CCN[C@H](C)C2)cc1OCC ZINC000155197356 1423237761 /nfs/dbraw/zinc/23/77/61/1423237761.db2.gz KTTNSNKUYQFGTB-MRXNPFEDSA-N 0 1 396.487 3.149 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C2)cc1 ZINC000155203577 1423242063 /nfs/dbraw/zinc/24/20/63/1423242063.db2.gz FAAUNYXUTYRYQH-UGKGYDQZSA-N 0 1 398.478 3.224 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000155210956 1423248752 /nfs/dbraw/zinc/24/87/52/1423248752.db2.gz ZQKAJIHVDXDVMF-KRWDZBQOSA-N 0 1 375.476 3.223 20 0 GGADMN COc1ccc([C@H]2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)C2)cc1 ZINC000155218090 1423252877 /nfs/dbraw/zinc/25/28/77/1423252877.db2.gz LHYNFKNCFKJTQV-KRWDZBQOSA-N 0 1 390.505 3.062 20 0 GGADMN COC(=O)c1ccc(F)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179889988 1429626153 /nfs/dbraw/zinc/62/61/53/1429626153.db2.gz YDJYOBSFCMOPBT-LBPRGKRZSA-N 0 1 387.415 3.019 20 0 GGADMN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCN(CC2CC2)CC1 ZINC000179889660 1429626234 /nfs/dbraw/zinc/62/62/34/1429626234.db2.gz TXSRBJCXSWXHSM-UHFFFAOYSA-N 0 1 376.350 3.057 20 0 GGADMN CCOC(=O)c1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179888741 1429626344 /nfs/dbraw/zinc/62/63/44/1429626344.db2.gz NDDCYBUWVDIGLE-CQSZACIVSA-N 0 1 383.452 3.270 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ncn(-c5ccccc5)n4)C3)[nH]c2c1 ZINC000155232362 1423261655 /nfs/dbraw/zinc/26/16/55/1423261655.db2.gz ZFYCUYDGDPWFQO-INIZCTEOSA-N 0 1 386.459 3.472 20 0 GGADMN Cc1nnc(-c2ccc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc2)o1 ZINC000155234308 1423263589 /nfs/dbraw/zinc/26/35/89/1423263589.db2.gz NTGMGZBBSPRPGR-HNNXBMFYSA-N 0 1 391.475 3.395 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1C[C@@H](c3ccccc3C)C[C@@H]1C)[nH]c2=O ZINC000155236512 1423264501 /nfs/dbraw/zinc/26/45/01/1423264501.db2.gz QSWQODJDWHIYNN-RDJZCZTQSA-N 0 1 391.471 3.396 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)NCCc3cccc4cccnc43)C2)cc1 ZINC000155238197 1423266343 /nfs/dbraw/zinc/26/63/43/1423266343.db2.gz XPOJMQYCSHZRGD-OAQYLSRUSA-N 0 1 389.499 3.392 20 0 GGADMN O=C(NCc1nc(C2CC2)cs1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179892979 1429627524 /nfs/dbraw/zinc/62/75/24/1429627524.db2.gz XLMICYOSAOVRPL-UHFFFAOYSA-N 0 1 391.403 3.089 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825412458 1423270381 /nfs/dbraw/zinc/27/03/81/1423270381.db2.gz PKLKVVAFZQHJQZ-UHFFFAOYSA-N 0 1 388.413 3.102 20 0 GGADMN c1ccc2c(c1)cccc2CCC[NH+]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738433346 1423272512 /nfs/dbraw/zinc/27/25/12/1423272512.db2.gz QLAJGLTXZGRLST-UHFFFAOYSA-N 0 1 399.502 3.170 20 0 GGADMN CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C[C@H]1OC ZINC000179893326 1429628258 /nfs/dbraw/zinc/62/82/58/1429628258.db2.gz LUVWDAKLAHKANW-ZIAGYGMSSA-N 0 1 394.422 3.149 20 0 GGADMN CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000155253357 1423277332 /nfs/dbraw/zinc/27/73/32/1423277332.db2.gz YESSSRRWHNITJA-KUHUBIRLSA-N 0 1 389.521 3.416 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000155253218 1423277393 /nfs/dbraw/zinc/27/73/93/1423277393.db2.gz SRXJMVNOYGXGEU-SFHVURJKSA-N 0 1 393.487 3.015 20 0 GGADMN CC(C)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000155254593 1423279318 /nfs/dbraw/zinc/27/93/18/1423279318.db2.gz OLYAUYJTWWMZER-SFHVURJKSA-N 0 1 389.565 3.211 20 0 GGADMN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179895122 1429628601 /nfs/dbraw/zinc/62/86/01/1429628601.db2.gz PRWGYRJGXQIQKA-VBQJREDUSA-N 0 1 396.397 3.141 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000155266996 1423287546 /nfs/dbraw/zinc/28/75/46/1423287546.db2.gz IEPWECNRMSDXSF-MRXNPFEDSA-N 0 1 375.476 3.427 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1nnc[nH]1 ZINC000155273631 1423291813 /nfs/dbraw/zinc/29/18/13/1423291813.db2.gz CRWXUNNRBAEMNR-XVKPBYJWSA-N 0 1 379.289 3.070 20 0 GGADMN CN(CC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)[C@@H]1CCSC1 ZINC000155281181 1423298098 /nfs/dbraw/zinc/29/80/98/1423298098.db2.gz BTSDRMCZNVTRKU-MRXNPFEDSA-N 0 1 375.469 3.067 20 0 GGADMN CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000155284380 1423299088 /nfs/dbraw/zinc/29/90/88/1423299088.db2.gz SDTLGCQLHNTTEB-QZTJIDSGSA-N 0 1 387.528 3.483 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)N(C)Cc3ccc(OC)c(F)c3)C2)cc1 ZINC000155293175 1423303945 /nfs/dbraw/zinc/30/39/45/1423303945.db2.gz PECKCMFOXONIMK-SFHVURJKSA-N 0 1 386.467 3.291 20 0 GGADMN CCCN(CC(=O)Nc1nccs1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155298155 1423306569 /nfs/dbraw/zinc/30/65/69/1423306569.db2.gz SZXXDCLUCJPHST-UHFFFAOYSA-N 0 1 382.530 3.193 20 0 GGADMN O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000155301839 1423308352 /nfs/dbraw/zinc/30/83/52/1423308352.db2.gz NGIOBJWXKPGFKK-OAQYLSRUSA-N 0 1 377.488 3.402 20 0 GGADMN O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000155301966 1423308421 /nfs/dbraw/zinc/30/84/21/1423308421.db2.gz NGIOBJWXKPGFKK-NRFANRHFSA-N 0 1 377.488 3.402 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)N(C)Cc3cccc(OC)c3OC)C2)cc1 ZINC000155303246 1423309031 /nfs/dbraw/zinc/30/90/31/1423309031.db2.gz JCCQCDZFGYTKFV-GOSISDBHSA-N 0 1 398.503 3.160 20 0 GGADMN O=C(NCCc1cc2ccccc2[nH]1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179899986 1429630990 /nfs/dbraw/zinc/63/09/90/1429630990.db2.gz PJMFLXPUUPMZNB-UHFFFAOYSA-N 0 1 397.385 3.279 20 0 GGADMN COc1ccc2c(CNC(C)(C)C(=O)NCC3CCCCC3)cc(=O)oc2c1 ZINC000155321820 1423316480 /nfs/dbraw/zinc/31/64/80/1423316480.db2.gz FNIMPBJPZYVHMI-UHFFFAOYSA-N 0 1 386.492 3.366 20 0 GGADMN CC(C)(NCC(=O)NCc1cccc(Cl)c1)C(=O)NCC1CCCCC1 ZINC000155328705 1423319742 /nfs/dbraw/zinc/31/97/42/1423319742.db2.gz PMJXADULUFXUIM-UHFFFAOYSA-N 0 1 379.932 3.021 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000155361305 1423332363 /nfs/dbraw/zinc/33/23/63/1423332363.db2.gz PQOHBUZDVLIGFN-OKILXGFUSA-N 0 1 375.444 3.018 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000155363286 1423333202 /nfs/dbraw/zinc/33/32/02/1423333202.db2.gz UHFVMEVQVHIMKK-HNNXBMFYSA-N 0 1 391.313 3.118 20 0 GGADMN CC1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000820595271 1423333556 /nfs/dbraw/zinc/33/35/56/1423333556.db2.gz GJNVGKJMDWOPAD-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CC1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820595271 1423333565 /nfs/dbraw/zinc/33/35/65/1423333565.db2.gz GJNVGKJMDWOPAD-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CC1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820595271 1423333573 /nfs/dbraw/zinc/33/35/73/1423333573.db2.gz GJNVGKJMDWOPAD-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2[nH]c1=S ZINC000155368058 1423335732 /nfs/dbraw/zinc/33/57/32/1423335732.db2.gz HTZFFQXOSKZLSX-GOEBONIOSA-N 0 1 385.876 3.162 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000155368064 1423336174 /nfs/dbraw/zinc/33/61/74/1423336174.db2.gz RYSAXVJFTNJDQS-INIZCTEOSA-N 0 1 381.586 3.482 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000155375036 1423339247 /nfs/dbraw/zinc/33/92/47/1423339247.db2.gz VAQQOJBPDRJRNM-SFHVURJKSA-N 0 1 389.503 3.282 20 0 GGADMN CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000155384877 1423343291 /nfs/dbraw/zinc/34/32/91/1423343291.db2.gz QEMQYKPXDHQCHO-IBGZPJMESA-N 0 1 389.565 3.273 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@@H]2C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000155388029 1423344105 /nfs/dbraw/zinc/34/41/05/1423344105.db2.gz DXIPDJIRNUICJN-IAQYHMDHSA-N 0 1 382.386 3.021 20 0 GGADMN CCN(C(=O)CNC(C)(C)C(=O)NCC(C)(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000155389879 1423344831 /nfs/dbraw/zinc/34/48/31/1423344831.db2.gz OSIFLBQCOVVPAC-HNNXBMFYSA-N 0 1 379.520 3.266 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(F)cc1OCC1CC1 ZINC000155396303 1423347276 /nfs/dbraw/zinc/34/72/76/1423347276.db2.gz SRCMLFGSMLRUGF-UHFFFAOYSA-N 0 1 396.422 3.249 20 0 GGADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155407665 1423352137 /nfs/dbraw/zinc/35/21/37/1423352137.db2.gz QEHBBGSTUGIXKJ-HNNXBMFYSA-N 0 1 387.524 3.483 20 0 GGADMN Cc1nn2c(nc(C)cc2C)c1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155409343 1423352256 /nfs/dbraw/zinc/35/22/56/1423352256.db2.gz SBVQXFNCJBZKJH-KRWDZBQOSA-N 0 1 392.507 3.005 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(OCC3CC3)nc2)CC1 ZINC000155412033 1423354114 /nfs/dbraw/zinc/35/41/14/1423354114.db2.gz VGXFMLDVNSENOB-INIZCTEOSA-N 0 1 380.492 3.221 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c2)o1 ZINC000155429128 1423359186 /nfs/dbraw/zinc/35/91/86/1423359186.db2.gz MYYKMGFSCVSSIA-OAHLLOKOSA-N 0 1 391.475 3.395 20 0 GGADMN COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1C ZINC000155428019 1423359510 /nfs/dbraw/zinc/35/95/10/1423359510.db2.gz CFXKWPFEFGXJAJ-HNNXBMFYSA-N 0 1 382.420 3.398 20 0 GGADMN CC[C@@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1 ZINC000155429354 1423359773 /nfs/dbraw/zinc/35/97/73/1423359773.db2.gz MTNKXWZLRNLTCC-FQEVSTJZSA-N 0 1 380.536 3.342 20 0 GGADMN COc1cc(F)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000155435112 1423362400 /nfs/dbraw/zinc/36/24/00/1423362400.db2.gz YHMZEXZYUGPRBX-AWEZNQCLSA-N 0 1 387.455 3.193 20 0 GGADMN COC(=O)c1cc(Br)c(S(=O)(=O)Nc2ccccc2F)s1 ZINC000155454158 1423370754 /nfs/dbraw/zinc/37/07/54/1423370754.db2.gz NPTGLZMYLZOJQG-UHFFFAOYSA-N 0 1 394.243 3.237 20 0 GGADMN COC(=O)Nc1ccccc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155475040 1423379346 /nfs/dbraw/zinc/37/93/46/1423379346.db2.gz BPOIJHWNMLDRBN-OAHLLOKOSA-N 0 1 382.464 3.215 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccnc(OC4CCCCC4)c3)CC2)c1 ZINC000179912578 1429636908 /nfs/dbraw/zinc/63/69/08/1429636908.db2.gz FVXCKFULWKWIKD-UHFFFAOYSA-N 0 1 396.491 3.159 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)C[C@H](C)O1 ZINC000155487503 1423382617 /nfs/dbraw/zinc/38/26/17/1423382617.db2.gz QJEKBGDADVSHNN-KBPBESRZSA-N 0 1 378.432 3.065 20 0 GGADMN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)c2c1 ZINC000155493956 1423385523 /nfs/dbraw/zinc/38/55/23/1423385523.db2.gz UOBIUAUOWQBKBA-OAHLLOKOSA-N 0 1 376.464 3.262 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n[nH]1 ZINC000155495604 1423386294 /nfs/dbraw/zinc/38/62/94/1423386294.db2.gz UTLVYSWRCNIIPJ-PIGZYNQJSA-N 0 1 385.493 3.091 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)n[nH]1 ZINC000155495492 1423386615 /nfs/dbraw/zinc/38/66/15/1423386615.db2.gz UTLVYSWRCNIIPJ-APPDUMDISA-N 0 1 385.493 3.091 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1c(C)ccn(C)c1=O)N1CCCCC1 ZINC000155510884 1423393588 /nfs/dbraw/zinc/39/35/88/1423393588.db2.gz MOSRUGZLPBIVMX-GOSISDBHSA-N 0 1 398.507 3.051 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000155513578 1423394583 /nfs/dbraw/zinc/39/45/83/1423394583.db2.gz JZWKCWLNJDMYBY-UHFFFAOYSA-N 0 1 375.557 3.344 20 0 GGADMN CC[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1nnc2n1CCCCC2 ZINC000825141794 1429637931 /nfs/dbraw/zinc/63/79/31/1429637931.db2.gz PMNYLBZQYOUVIQ-QZTJIDSGSA-N 0 1 392.511 3.303 20 0 GGADMN Cc1cnn(CCC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000155521283 1423397662 /nfs/dbraw/zinc/39/76/62/1423397662.db2.gz IVLZLLBHTNPISO-UHFFFAOYSA-N 0 1 383.496 3.035 20 0 GGADMN O=C(COCC(F)(F)F)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000155522937 1423398920 /nfs/dbraw/zinc/39/89/20/1423398920.db2.gz ZUFQUAHYSUALEB-UHFFFAOYSA-N 0 1 387.402 3.019 20 0 GGADMN c1cn(CCc2ccccc2)c(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000826521743 1423401903 /nfs/dbraw/zinc/40/19/03/1423401903.db2.gz XGUNJSLECKDLKN-NRFANRHFSA-N 0 1 399.502 3.473 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000155535359 1423406040 /nfs/dbraw/zinc/40/60/40/1423406040.db2.gz HDOAYRQJMRZMTA-LLVKDONJSA-N 0 1 388.830 3.132 20 0 GGADMN Cc1nc(-c2ccc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc2)n[nH]1 ZINC000155545365 1423411356 /nfs/dbraw/zinc/41/13/56/1423411356.db2.gz NHBOZRQAGPWISC-HNNXBMFYSA-N 0 1 390.491 3.131 20 0 GGADMN C[S@](=O)c1ccc(CNCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000155544213 1423411897 /nfs/dbraw/zinc/41/18/97/1423411897.db2.gz CFWZHPOMBJIUDA-HHHXNRCGSA-N 0 1 382.485 3.237 20 0 GGADMN CC[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1OCC(=O)N(C)C ZINC000155549324 1423412966 /nfs/dbraw/zinc/41/29/66/1423412966.db2.gz KUQFXWKXQIDRMJ-PPHZAIPVSA-N 0 1 388.533 3.132 20 0 GGADMN CCO[C@@H](C)c1nccn1CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000155559325 1423418195 /nfs/dbraw/zinc/41/81/95/1423418195.db2.gz IGTDMCXVSGRQGF-IBGZPJMESA-N 0 1 384.524 3.024 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN(c4ncccc4Cl)CC3)n[nH]2)c1 ZINC000155563258 1423420655 /nfs/dbraw/zinc/42/06/55/1423420655.db2.gz KRJVHKNIJCQLLA-UHFFFAOYSA-N 0 1 397.866 3.096 20 0 GGADMN COc1ccc(C[C@H](C)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1OC ZINC000155567287 1423422797 /nfs/dbraw/zinc/42/27/97/1423422797.db2.gz PIVBFBVRRMKLCE-AWEZNQCLSA-N 0 1 380.444 3.154 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000822225276 1423423056 /nfs/dbraw/zinc/42/30/56/1423423056.db2.gz WIQUYPUHHRPAKL-HUUCEWRRSA-N 0 1 388.479 3.476 20 0 GGADMN Cn1cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179919183 1429640837 /nfs/dbraw/zinc/64/08/37/1429640837.db2.gz CHAJWEGUDLXXTR-UHFFFAOYSA-N 0 1 395.507 3.402 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000155590871 1423434891 /nfs/dbraw/zinc/43/48/91/1423434891.db2.gz CQQRUYYJVIIQFQ-INIZCTEOSA-N 0 1 393.466 3.362 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CN2CCC[C@H](CNC(C)=O)C2)c1 ZINC000155612107 1423444892 /nfs/dbraw/zinc/44/48/92/1423444892.db2.gz CAVFRAOSOIJNKU-GOSISDBHSA-N 0 1 383.492 3.017 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000823488681 1429643568 /nfs/dbraw/zinc/64/35/68/1429643568.db2.gz SCAOPMJTLKPTAH-AWEZNQCLSA-N 0 1 383.402 3.240 20 0 GGADMN CN1CC[C@@H](CNC(=O)[C@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155617316 1423448396 /nfs/dbraw/zinc/44/83/96/1423448396.db2.gz PLJLYNPBAAAIKU-ZYSHUDEJSA-N 0 1 376.859 3.322 20 0 GGADMN O=C(CC[NH+]1CCC(c2ccccc2F)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737839953 1423448748 /nfs/dbraw/zinc/44/87/48/1423448748.db2.gz XPSUFBKQEWXUJN-UHFFFAOYSA-N 0 1 394.454 3.214 20 0 GGADMN COc1c(F)ccc(F)c1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155618005 1423449084 /nfs/dbraw/zinc/44/90/84/1423449084.db2.gz YQVXNRAABRMGLC-ZDUSSCGKSA-N 0 1 375.419 3.324 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155618848 1423449945 /nfs/dbraw/zinc/44/99/45/1423449945.db2.gz XCZLEXSCFHTCNS-QAPCUYQASA-N 0 1 389.858 3.001 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000155622227 1423452148 /nfs/dbraw/zinc/45/21/48/1423452148.db2.gz GXRIPFDJQHEUSM-SFHVURJKSA-N 0 1 381.538 3.214 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)nc2)CC1 ZINC000179922820 1429642840 /nfs/dbraw/zinc/64/28/40/1429642840.db2.gz LAQFQVXIGKHXOT-UHFFFAOYSA-N 0 1 396.491 3.041 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155630295 1423455527 /nfs/dbraw/zinc/45/55/27/1423455527.db2.gz RNJJBFOHUSLPRK-CRAIPNDOSA-N 0 1 392.544 3.440 20 0 GGADMN CN1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)Cc2ccccc21 ZINC000826037765 1423461037 /nfs/dbraw/zinc/46/10/37/1423461037.db2.gz CYNOMVRIBPSUAY-UHFFFAOYSA-N 0 1 399.296 3.081 20 0 GGADMN CN1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)Cc2ccccc21 ZINC000826037765 1423461041 /nfs/dbraw/zinc/46/10/41/1423461041.db2.gz CYNOMVRIBPSUAY-UHFFFAOYSA-N 0 1 399.296 3.081 20 0 GGADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Br)c1 ZINC000820275033 1429644541 /nfs/dbraw/zinc/64/45/41/1429644541.db2.gz MPXQFDVJYJUUHE-LBPRGKRZSA-N 0 1 388.269 3.186 20 0 GGADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000155648820 1423467182 /nfs/dbraw/zinc/46/71/82/1423467182.db2.gz DOECQOYSPVQBKR-BEEJXANESA-N 0 1 377.573 3.183 20 0 GGADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000155648943 1423467213 /nfs/dbraw/zinc/46/72/13/1423467213.db2.gz DOECQOYSPVQBKR-NXMBOHNASA-N 0 1 377.573 3.183 20 0 GGADMN OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826509792 1423469034 /nfs/dbraw/zinc/46/90/34/1423469034.db2.gz KBNUPUQOROIEHP-UHFFFAOYSA-N 0 1 396.253 3.307 20 0 GGADMN OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826509792 1423469036 /nfs/dbraw/zinc/46/90/36/1423469036.db2.gz KBNUPUQOROIEHP-UHFFFAOYSA-N 0 1 396.253 3.307 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)cc(Cl)c2)N(C)C)cc1 ZINC000155667137 1423477388 /nfs/dbraw/zinc/47/73/88/1423477388.db2.gz FLRRRTWUGYMAGO-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000155669232 1423478445 /nfs/dbraw/zinc/47/84/45/1423478445.db2.gz NGFIVSDHMBCXJU-QGZVFWFLSA-N 0 1 387.487 3.494 20 0 GGADMN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1[nH]nc2c1CCC2 ZINC000155672997 1423480167 /nfs/dbraw/zinc/48/01/67/1423480167.db2.gz FNGLNCQMHQLCKA-UHFFFAOYSA-N 0 1 388.777 3.165 20 0 GGADMN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(CC2CC2)CC1 ZINC000155678802 1423483831 /nfs/dbraw/zinc/48/38/31/1423483831.db2.gz RRQFAYGHCNEKRU-OAHLLOKOSA-N 0 1 377.357 3.305 20 0 GGADMN C[C@@H](c1cccc(O)c1)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000155689862 1423488342 /nfs/dbraw/zinc/48/83/42/1423488342.db2.gz SBENMEKQGCJNJA-ZDUSSCGKSA-N 0 1 383.473 3.001 20 0 GGADMN C[C@H](c1cccc(O)c1)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000155689984 1423488423 /nfs/dbraw/zinc/48/84/23/1423488423.db2.gz SBENMEKQGCJNJA-CYBMUJFWSA-N 0 1 383.473 3.001 20 0 GGADMN COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821778317 1423490986 /nfs/dbraw/zinc/49/09/86/1423490986.db2.gz YEGWZHYBUYQJRD-FQEVSTJZSA-N 0 1 394.479 3.191 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000155704623 1423496711 /nfs/dbraw/zinc/49/67/11/1423496711.db2.gz XCWZOTGIFGKLLA-GDBMZVCRSA-N 0 1 385.468 3.494 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821196627 1423501148 /nfs/dbraw/zinc/50/11/48/1423501148.db2.gz CQDSWFGPCSKAKT-UHFFFAOYSA-N 0 1 396.495 3.208 20 0 GGADMN COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)[C@H](CO)C(C)C)cc1 ZINC000179930193 1429647850 /nfs/dbraw/zinc/64/78/50/1429647850.db2.gz IYENUYYHJOVILC-OAQYLSRUSA-N 0 1 386.492 3.161 20 0 GGADMN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)oc1C ZINC000822441042 1423506436 /nfs/dbraw/zinc/50/64/36/1423506436.db2.gz QGQKTEKAFSROKY-HNNXBMFYSA-N 0 1 395.511 3.034 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4CCCN4C(=O)NC(C)C)C3)[nH]c2c1 ZINC000155731430 1423507405 /nfs/dbraw/zinc/50/74/05/1423507405.db2.gz MJQWAZIPXYXYSK-LPHOPBHVSA-N 0 1 397.523 3.160 20 0 GGADMN COC(=O)c1cc(CN(Cc2ccc(OC)cc2)[C@H](CO)C(C)C)oc1C ZINC000179930754 1429647995 /nfs/dbraw/zinc/64/79/95/1429647995.db2.gz BVJGNPNCQXNXKX-HXUWFJFHSA-N 0 1 375.465 3.402 20 0 GGADMN COc1ccc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000737091373 1423513041 /nfs/dbraw/zinc/51/30/41/1423513041.db2.gz UOQLEEQNBGAEQJ-UHFFFAOYSA-N 0 1 383.427 3.058 20 0 GGADMN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000155748048 1423515314 /nfs/dbraw/zinc/51/53/14/1423515314.db2.gz RZCWWPRIHKWAMX-CYBMUJFWSA-N 0 1 397.341 3.034 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCC(=O)NC4CCCC4)C3)[nH]c2c1 ZINC000155752488 1423517718 /nfs/dbraw/zinc/51/77/18/1423517718.db2.gz BDAJDARGHHNBSC-MRXNPFEDSA-N 0 1 382.508 3.416 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826238124 1423523374 /nfs/dbraw/zinc/52/33/74/1423523374.db2.gz WYYAOJWKMAFIGN-UKRRQHHQSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238124 1423523377 /nfs/dbraw/zinc/52/33/77/1423523377.db2.gz WYYAOJWKMAFIGN-UKRRQHHQSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238124 1423523384 /nfs/dbraw/zinc/52/33/84/1423523384.db2.gz WYYAOJWKMAFIGN-UKRRQHHQSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@@H](C)CCO)c1 ZINC000155772067 1423527643 /nfs/dbraw/zinc/52/76/43/1423527643.db2.gz KTCSIFOQPKSHBT-IBGZPJMESA-N 0 1 375.534 3.432 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1CCCOc2ccccc21 ZINC000155780811 1423531371 /nfs/dbraw/zinc/53/13/71/1423531371.db2.gz ZSZMMQUWELEXJX-FQEVSTJZSA-N 0 1 380.492 3.259 20 0 GGADMN NC(=O)N1CCc2cc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)ccc21 ZINC000155792351 1423536499 /nfs/dbraw/zinc/53/64/99/1423536499.db2.gz WXROUSMXELLFIX-HXUWFJFHSA-N 0 1 378.476 3.121 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000155809059 1423543520 /nfs/dbraw/zinc/54/35/20/1423543520.db2.gz WIXAAMSESIZOLG-GJZGRUSLSA-N 0 1 392.521 3.332 20 0 GGADMN COC[C@@H](NCCCS(=O)(=O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000155820085 1423546685 /nfs/dbraw/zinc/54/66/85/1423546685.db2.gz UPGRMQBXVYJSGA-LJQANCHMSA-N 0 1 383.460 3.414 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000155830238 1423552273 /nfs/dbraw/zinc/55/22/73/1423552273.db2.gz OKJPKHTVYAPZJJ-KXBFYZLASA-N 0 1 388.487 3.209 20 0 GGADMN C[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2ccccc2C1 ZINC000824429867 1423552291 /nfs/dbraw/zinc/55/22/91/1423552291.db2.gz ZUARFHMFISPGIM-AOMKIAJQSA-N 0 1 388.519 3.281 20 0 GGADMN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155834083 1423554384 /nfs/dbraw/zinc/55/43/84/1423554384.db2.gz BMBGUAASAZLLJX-HOCLYGCPSA-N 0 1 375.436 3.115 20 0 GGADMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000155840766 1423556534 /nfs/dbraw/zinc/55/65/34/1423556534.db2.gz LQGWWDXILCMAJX-HNNXBMFYSA-N 0 1 387.911 3.387 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(Cn2ccnn2)CC1)c1cc2ccccc2o1 ZINC000155842955 1423557123 /nfs/dbraw/zinc/55/71/23/1423557123.db2.gz YADUOSFBQZXMEP-HZPDHXFCSA-N 0 1 381.480 3.002 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000821777434 1423557619 /nfs/dbraw/zinc/55/76/19/1423557619.db2.gz FFVURAPUABOGIM-CQSZACIVSA-N 0 1 399.520 3.468 20 0 GGADMN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000155850167 1423561065 /nfs/dbraw/zinc/56/10/65/1423561065.db2.gz UDXVQAXAFUQZDK-SJLPKXTDSA-N 0 1 375.513 3.008 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)cnc12 ZINC000155865949 1423567771 /nfs/dbraw/zinc/56/77/71/1423567771.db2.gz UZUMTIQEHSJRPA-HNNXBMFYSA-N 0 1 393.462 3.152 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NC[C@H](C)N3CCc4ccccc4C3)cnc12 ZINC000155865949 1423567775 /nfs/dbraw/zinc/56/77/75/1423567775.db2.gz UZUMTIQEHSJRPA-HNNXBMFYSA-N 0 1 393.462 3.152 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2)CC(C)(C)O)c1 ZINC000155888813 1423578909 /nfs/dbraw/zinc/57/89/09/1423578909.db2.gz ASENSADUZHRFHP-UHFFFAOYSA-N 0 1 375.534 3.432 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3c[nH]c4ncccc34)cc2)C[C@H](C)O1 ZINC000155893086 1423581147 /nfs/dbraw/zinc/58/11/47/1423581147.db2.gz CXVPFPVCHJEMNN-IRXDYDNUSA-N 0 1 392.503 3.031 20 0 GGADMN CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825668980 1429654616 /nfs/dbraw/zinc/65/46/16/1429654616.db2.gz NRXIBUCMFUTOGT-QZTJIDSGSA-N 0 1 397.552 3.421 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000155904115 1423587874 /nfs/dbraw/zinc/58/78/74/1423587874.db2.gz LGWJOADQBMQSLF-PMACEKPBSA-N 0 1 390.572 3.487 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)o1 ZINC000155904115 1423587883 /nfs/dbraw/zinc/58/78/83/1423587883.db2.gz LGWJOADQBMQSLF-PMACEKPBSA-N 0 1 390.572 3.487 20 0 GGADMN CNC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000155912281 1423591941 /nfs/dbraw/zinc/59/19/41/1423591941.db2.gz GIVSWVCRBNAOAV-MRXNPFEDSA-N 0 1 378.476 3.150 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1F ZINC000155912883 1423592473 /nfs/dbraw/zinc/59/24/73/1423592473.db2.gz PZENXYKTGKXDHT-UHFFFAOYSA-N 0 1 399.510 3.231 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000155924618 1423596752 /nfs/dbraw/zinc/59/67/52/1423596752.db2.gz YKTDPZUNUSKPSW-CYBMUJFWSA-N 0 1 396.322 3.174 20 0 GGADMN CCN1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736569323 1423598105 /nfs/dbraw/zinc/59/81/05/1423598105.db2.gz FXGDQYUBEYDDKE-IBGZPJMESA-N 0 1 392.507 3.020 20 0 GGADMN O=C(NC1(c2ccc(F)cc2F)CCC1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000155938574 1423602045 /nfs/dbraw/zinc/60/20/45/1423602045.db2.gz AVGCFDIFPUUJCA-UHFFFAOYSA-N 0 1 387.411 3.299 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000155943912 1423603913 /nfs/dbraw/zinc/60/39/13/1423603913.db2.gz MIINQWMRQSZAIG-JKSUJKDBSA-N 0 1 383.492 3.406 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000155943290 1423604212 /nfs/dbraw/zinc/60/42/12/1423604212.db2.gz RXROFBNNNCGAKF-DLBZAZTESA-N 0 1 384.524 3.112 20 0 GGADMN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1[nH]nc2c1CCCC2 ZINC000155944190 1423604941 /nfs/dbraw/zinc/60/49/41/1423604941.db2.gz FOMHXVLFJXSIOT-AWEZNQCLSA-N 0 1 399.495 3.155 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000155962867 1423612077 /nfs/dbraw/zinc/61/20/77/1423612077.db2.gz JTCZRSUBNYUPHD-QFIPXVFZSA-N 0 1 399.514 3.177 20 0 GGADMN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824324810 1423614560 /nfs/dbraw/zinc/61/45/60/1423614560.db2.gz WCRRENZPTDICSI-YJYMSZOUSA-N 0 1 385.443 3.177 20 0 GGADMN CC(C)(C)C[C@H](CO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819907928 1423615319 /nfs/dbraw/zinc/61/53/19/1423615319.db2.gz TVDFLMSXCZBSNN-LJQANCHMSA-N 0 1 395.507 3.332 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](CCSc2cn[nH]n2)c2ccccc2)cc1 ZINC000155980713 1423619325 /nfs/dbraw/zinc/61/93/25/1423619325.db2.gz PTQISRVSKTVZIQ-QGZVFWFLSA-N 0 1 388.518 3.315 20 0 GGADMN CC(=O)N[C@H](C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(C)C ZINC000155980276 1423619401 /nfs/dbraw/zinc/61/94/01/1423619401.db2.gz QFHWUDROEUKRGB-SFHVURJKSA-N 0 1 377.448 3.238 20 0 GGADMN CC(=O)N[C@H](C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(C)C ZINC000155980276 1423619407 /nfs/dbraw/zinc/61/94/07/1423619407.db2.gz QFHWUDROEUKRGB-SFHVURJKSA-N 0 1 377.448 3.238 20 0 GGADMN CCO[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000155991532 1423624119 /nfs/dbraw/zinc/62/41/19/1423624119.db2.gz PZQFOAIMASDVCM-RTBURBONSA-N 0 1 388.508 3.012 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@@H](CO)C2CC2)c1C ZINC000156008961 1423632782 /nfs/dbraw/zinc/63/27/82/1423632782.db2.gz PHUZTXMKNANJAC-NRFANRHFSA-N 0 1 395.503 3.225 20 0 GGADMN C[C@H](C(=O)N1CCCCC1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156023296 1423638525 /nfs/dbraw/zinc/63/85/25/1423638525.db2.gz NLZNYOPAKYHPLJ-WBVHZDCISA-N 0 1 386.471 3.456 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000156034570 1423643571 /nfs/dbraw/zinc/64/35/71/1423643571.db2.gz KZYIIPHWJAYQGC-SFHVURJKSA-N 0 1 389.858 3.198 20 0 GGADMN CCOC(=O)C(C(=O)COc1cccc(C(F)(F)F)n1)c1nc(C)cs1 ZINC000179952176 1429659667 /nfs/dbraw/zinc/65/96/67/1429659667.db2.gz YOVALMCVIZWLGT-CYBMUJFWSA-N 0 1 388.367 3.160 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000826183961 1423648618 /nfs/dbraw/zinc/64/86/18/1423648618.db2.gz GMWRUSZVBBOGND-FQEVSTJZSA-N 0 1 392.507 3.192 20 0 GGADMN CCC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736479859 1423651565 /nfs/dbraw/zinc/65/15/65/1423651565.db2.gz KEYNABBFLLUXHD-CQSZACIVSA-N 0 1 382.443 3.245 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000736227696 1423652413 /nfs/dbraw/zinc/65/24/13/1423652413.db2.gz MFWCFKFRFSBQQA-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000736227696 1423652419 /nfs/dbraw/zinc/65/24/19/1423652419.db2.gz MFWCFKFRFSBQQA-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000736227696 1423652423 /nfs/dbraw/zinc/65/24/23/1423652423.db2.gz MFWCFKFRFSBQQA-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN CC(C)(CNCc1cc(Br)cc(C(F)(F)F)c1)S(C)(=O)=O ZINC000156060589 1423656498 /nfs/dbraw/zinc/65/64/98/1423656498.db2.gz KYEVGEJQLCZMIX-UHFFFAOYSA-N 0 1 388.249 3.381 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c21 ZINC000179953088 1429660896 /nfs/dbraw/zinc/66/08/96/1429660896.db2.gz ZRWXHMHJUIBPMP-UHFFFAOYSA-N 0 1 392.503 3.418 20 0 GGADMN O=C(Cn1cc(C2CC2)nn1)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156075309 1423661226 /nfs/dbraw/zinc/66/12/26/1423661226.db2.gz UZCCCACFFOXNIV-UHFFFAOYSA-N 0 1 385.431 3.246 20 0 GGADMN O=C(Cn1cc(C2CC2)nn1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000156075309 1423661232 /nfs/dbraw/zinc/66/12/32/1423661232.db2.gz UZCCCACFFOXNIV-UHFFFAOYSA-N 0 1 385.431 3.246 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)C1 ZINC000156075692 1423661297 /nfs/dbraw/zinc/66/12/97/1423661297.db2.gz GQSNOQIIAUUSSU-KRWDZBQOSA-N 0 1 389.459 3.336 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)C1 ZINC000156075692 1423661307 /nfs/dbraw/zinc/66/13/07/1423661307.db2.gz GQSNOQIIAUUSSU-KRWDZBQOSA-N 0 1 389.459 3.336 20 0 GGADMN Cc1ccccc1-c1noc([C@H](C)[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822345619 1423668204 /nfs/dbraw/zinc/66/82/04/1423668204.db2.gz MVQIAFWGMLIZCR-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822345619 1423668206 /nfs/dbraw/zinc/66/82/06/1423668206.db2.gz MVQIAFWGMLIZCR-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000156111017 1423677236 /nfs/dbraw/zinc/67/72/36/1423677236.db2.gz PCEWNBYUUMAPQJ-YVORESIASA-N 0 1 390.524 3.375 20 0 GGADMN Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000156119221 1423680003 /nfs/dbraw/zinc/68/00/03/1423680003.db2.gz LNACMKWHESSULJ-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000156121899 1423681168 /nfs/dbraw/zinc/68/11/68/1423681168.db2.gz SVIZDZGCDHXBKR-UHFFFAOYSA-N 0 1 387.487 3.456 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000156121211 1423681499 /nfs/dbraw/zinc/68/14/99/1423681499.db2.gz MKXDGINZCXQXHG-CRYYWNKWSA-N 0 1 396.434 3.338 20 0 GGADMN C[C@@H](CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)C[NH+]1CCCCC1 ZINC000824422432 1423684020 /nfs/dbraw/zinc/68/40/20/1423684020.db2.gz ZTKFTOBKNKNOIM-NSHDSACASA-N 0 1 397.310 3.025 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 ZINC000156137864 1423689266 /nfs/dbraw/zinc/68/92/66/1423689266.db2.gz SNDBAFACLNYKHI-UHFFFAOYSA-N 0 1 398.507 3.196 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825000496 1423705127 /nfs/dbraw/zinc/70/51/27/1423705127.db2.gz RFNOASKOJFXYJX-VXGBXAGGSA-N 0 1 389.916 3.076 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000156173191 1423706068 /nfs/dbraw/zinc/70/60/68/1423706068.db2.gz NUNRQQQJUOSNJY-HZPDHXFCSA-N 0 1 394.947 3.107 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000156173074 1423706358 /nfs/dbraw/zinc/70/63/58/1423706358.db2.gz NUNRQQQJUOSNJY-CVEARBPZSA-N 0 1 394.947 3.107 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179964266 1429665411 /nfs/dbraw/zinc/66/54/11/1429665411.db2.gz ZIYSWJAFDCRDIE-UGSOOPFHSA-N 0 1 378.469 3.298 20 0 GGADMN C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000156195993 1423719386 /nfs/dbraw/zinc/71/93/86/1423719386.db2.gz KVDPOHPIGLSQQB-CRAIPNDOSA-N 0 1 388.537 3.134 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000179964250 1429665568 /nfs/dbraw/zinc/66/55/68/1429665568.db2.gz ZIYSWJAFDCRDIE-FZKQIMNGSA-N 0 1 378.469 3.298 20 0 GGADMN CCN(CC)CCN(CC(C)C)C(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC000156232060 1423736861 /nfs/dbraw/zinc/73/68/61/1423736861.db2.gz RPBSGPZAKXYDBW-UHFFFAOYSA-N 0 1 382.570 3.147 20 0 GGADMN Cc1ccccc1C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737421426 1423742682 /nfs/dbraw/zinc/74/26/82/1423742682.db2.gz IKGIGDVPJZWVRA-UHFFFAOYSA-N 0 1 390.491 3.383 20 0 GGADMN Cc1sc(NC(=O)CNC[C@H]2CCCO2)nc1-c1c(F)cc(F)cc1F ZINC000156262118 1423748269 /nfs/dbraw/zinc/74/82/69/1423748269.db2.gz SLRROLIUFVBXHG-LLVKDONJSA-N 0 1 385.411 3.243 20 0 GGADMN Cc1ccccc1[C@@H]1CN(CCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822352160 1423751106 /nfs/dbraw/zinc/75/11/06/1423751106.db2.gz VNRNVUOZIWJMSE-UZLBHIALSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822352160 1423751110 /nfs/dbraw/zinc/75/11/10/1423751110.db2.gz VNRNVUOZIWJMSE-UZLBHIALSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822352160 1423751112 /nfs/dbraw/zinc/75/11/12/1423751112.db2.gz VNRNVUOZIWJMSE-UZLBHIALSA-N 0 1 379.464 3.016 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825068313 1423765903 /nfs/dbraw/zinc/76/59/03/1423765903.db2.gz QCNBFAJUHPZKPU-CABCVRRESA-N 0 1 378.480 3.246 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000156309869 1423770395 /nfs/dbraw/zinc/77/03/95/1423770395.db2.gz NOZYBYBSMVSUIX-MRXNPFEDSA-N 0 1 398.469 3.455 20 0 GGADMN Fc1ccc(-c2cc(C[NH2+]C3(c4cccc(-c5nnn[n-]5)c4)CC3)on2)cc1 ZINC000826372702 1423774892 /nfs/dbraw/zinc/77/48/92/1423774892.db2.gz IFOGJOLXRUAELI-UHFFFAOYSA-N 0 1 376.395 3.440 20 0 GGADMN C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cnn(C)c1 ZINC000179973439 1429670670 /nfs/dbraw/zinc/67/06/70/1429670670.db2.gz HCSFWNZBKOURNK-SUMWQHHRSA-N 0 1 380.414 3.281 20 0 GGADMN CCc1sc(NC(=O)CNC[C@@H]2CCCO2)nc1-c1ccc(OC)cc1 ZINC000156326177 1423779942 /nfs/dbraw/zinc/77/99/42/1423779942.db2.gz WQGJMFGOVGDEOA-HNNXBMFYSA-N 0 1 375.494 3.088 20 0 GGADMN O=C(Nc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826452889 1423782229 /nfs/dbraw/zinc/78/22/29/1423782229.db2.gz NALIZAUJBCBXNA-UHFFFAOYSA-N 0 1 377.452 3.149 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000156332057 1423783407 /nfs/dbraw/zinc/78/34/07/1423783407.db2.gz QFWBJKFOMLRACL-NSYGIPOTSA-N 0 1 376.909 3.363 20 0 GGADMN C[S@](=O)c1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000156332156 1423783925 /nfs/dbraw/zinc/78/39/25/1423783925.db2.gz QFWBJKFOMLRACL-CRICUBBOSA-N 0 1 376.909 3.363 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(CN3CCOC3=O)cc2)c1Cl ZINC000179977661 1429671579 /nfs/dbraw/zinc/67/15/79/1429671579.db2.gz QWUSKYNRSIFFMR-UHFFFAOYSA-N 0 1 380.853 3.401 20 0 GGADMN COc1cccc(OC)c1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000156348999 1423792147 /nfs/dbraw/zinc/79/21/47/1423792147.db2.gz OECPEBPLEPILQT-UHFFFAOYSA-N 0 1 386.467 3.166 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)cc1 ZINC000156351994 1423793206 /nfs/dbraw/zinc/79/32/06/1423793206.db2.gz MTDYFTMLVMZIRM-HXUWFJFHSA-N 0 1 388.895 3.117 20 0 GGADMN CC[N@@H+](CCOc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825425066 1423794568 /nfs/dbraw/zinc/79/45/68/1423794568.db2.gz ZOBFHTVAJVVQCK-UHFFFAOYSA-N 0 1 392.257 3.123 20 0 GGADMN CC(C)(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000156380367 1423802270 /nfs/dbraw/zinc/80/22/70/1423802270.db2.gz JBNSGWXINNCZOF-UHFFFAOYSA-N 0 1 396.896 3.302 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000156382243 1423802332 /nfs/dbraw/zinc/80/23/32/1423802332.db2.gz CJDBDKWVIIWIJA-QFIPXVFZSA-N 0 1 399.510 3.385 20 0 GGADMN COC[C@@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(C)o1 ZINC000156381617 1423802388 /nfs/dbraw/zinc/80/23/88/1423802388.db2.gz NTIQMTUAXBWOMU-CXAGYDPISA-N 0 1 376.453 3.300 20 0 GGADMN CC(C)[C@@H](O)C(C)(C)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000156382491 1423802834 /nfs/dbraw/zinc/80/28/34/1423802834.db2.gz XDGLVAVQMKGYNH-LJQANCHMSA-N 0 1 379.520 3.132 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)nn1-c1ccc(C)cc1 ZINC000179978363 1429672478 /nfs/dbraw/zinc/67/24/78/1429672478.db2.gz RNILPVZPRQOFAN-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCC[C@H](Nc4ccccc4)C3)c2)CC1 ZINC000156402516 1423805999 /nfs/dbraw/zinc/80/59/99/1423805999.db2.gz NDACEHWRABGUDZ-QHCPKHFHSA-N 0 1 392.547 3.151 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156445725 1423811349 /nfs/dbraw/zinc/81/13/49/1423811349.db2.gz KBQTVXRZGMYTGS-ZQIUZPCESA-N 0 1 378.423 3.395 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccccc2OC(F)(F)F)C[C@@H]1C ZINC000156447024 1423811375 /nfs/dbraw/zinc/81/13/75/1423811375.db2.gz LHPBEFLDXGSDBC-BETUJISGSA-N 0 1 375.391 3.158 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000156478220 1423815443 /nfs/dbraw/zinc/81/54/43/1423815443.db2.gz WFHMUIJJAVXBIJ-OAQYLSRUSA-N 0 1 379.504 3.406 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)[nH]n2)c1 ZINC000156492261 1423818040 /nfs/dbraw/zinc/81/80/40/1423818040.db2.gz RLVMPZFIVAMXHE-UHFFFAOYSA-N 0 1 376.416 3.247 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000156498495 1423819091 /nfs/dbraw/zinc/81/90/91/1423819091.db2.gz YAWCKEYDTNGVCF-KRWDZBQOSA-N 0 1 399.510 3.397 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000156521568 1423822502 /nfs/dbraw/zinc/82/25/02/1423822502.db2.gz FGLACYXFQWRBGH-IBGZPJMESA-N 0 1 377.573 3.281 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCCOc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000156518460 1423822551 /nfs/dbraw/zinc/82/25/51/1423822551.db2.gz AXYAKLYISKEJKD-SFHVURJKSA-N 0 1 388.439 3.133 20 0 GGADMN O=C(NCC1(Cc2ccccc2)CC1)NC1CCN(Cc2ccccn2)CC1 ZINC000156535228 1423824286 /nfs/dbraw/zinc/82/42/86/1423824286.db2.gz SCWMSQZQPXDSSA-UHFFFAOYSA-N 0 1 378.520 3.368 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCN2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000179983953 1429674987 /nfs/dbraw/zinc/67/49/87/1429674987.db2.gz POZBNJSATZLBLX-UHFFFAOYSA-N 0 1 381.561 3.214 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000156544631 1423825984 /nfs/dbraw/zinc/82/59/84/1423825984.db2.gz CXEKDCXDQZEXAR-KRWDZBQOSA-N 0 1 399.510 3.097 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000156544747 1423826158 /nfs/dbraw/zinc/82/61/58/1423826158.db2.gz CXEKDCXDQZEXAR-QGZVFWFLSA-N 0 1 399.510 3.097 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000156552235 1423827506 /nfs/dbraw/zinc/82/75/06/1423827506.db2.gz JRBCXFUWRDNIGR-UWJYYQICSA-N 0 1 383.467 3.306 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000156554420 1423827814 /nfs/dbraw/zinc/82/78/14/1423827814.db2.gz WBFBQRBJPQDVKW-CQSZACIVSA-N 0 1 391.342 3.194 20 0 GGADMN CN(CCNC(=O)c1cccc(Nc2cnn(C)c2)c1)Cc1ccc(F)cc1 ZINC000156568587 1423829926 /nfs/dbraw/zinc/82/99/26/1423829926.db2.gz CDAUGCMQQRMHIJ-UHFFFAOYSA-N 0 1 381.455 3.165 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN(C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000156569764 1423830018 /nfs/dbraw/zinc/83/00/18/1423830018.db2.gz CGVPICXDBVDPKF-SFHVURJKSA-N 0 1 399.516 3.339 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000156570309 1423830025 /nfs/dbraw/zinc/83/00/25/1423830025.db2.gz AYZOUKAUQKHXST-QGZVFWFLSA-N 0 1 382.508 3.364 20 0 GGADMN COc1cccc(-c2nc(CN(C)C[C@@H]3CCN(C(C)=O)C3)cs2)c1OC ZINC000156610574 1423835514 /nfs/dbraw/zinc/83/55/14/1423835514.db2.gz NCWIPBWLZFHEEZ-HNNXBMFYSA-N 0 1 389.521 3.128 20 0 GGADMN Cc1nc([C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)c2ccc(Cl)cc2)no1 ZINC000179988425 1429677183 /nfs/dbraw/zinc/67/71/83/1429677183.db2.gz QDKARZOYWFKOLV-HNNXBMFYSA-N 0 1 399.806 3.378 20 0 GGADMN O[C@@H](CNCc1cc(Br)cc2c1OCC2)c1c(F)cccc1F ZINC000156714845 1423852838 /nfs/dbraw/zinc/85/28/38/1423852838.db2.gz MUYMVOWFHYQKMS-HNNXBMFYSA-N 0 1 384.220 3.485 20 0 GGADMN c1nc2cnccn2c1CNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000156725186 1423854988 /nfs/dbraw/zinc/85/49/88/1423854988.db2.gz LFYHCQHPKCWPCU-UHFFFAOYSA-N 0 1 381.443 3.267 20 0 GGADMN COC(=O)c1sc2cccc(F)c2c1CN(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156729920 1423855419 /nfs/dbraw/zinc/85/54/19/1423855419.db2.gz GOUNHRLWHQRXAJ-ZDUSSCGKSA-N 0 1 378.469 3.127 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821612241 1429677750 /nfs/dbraw/zinc/67/77/50/1429677750.db2.gz OHGLIFSDSSEGGN-UHFFFAOYSA-N 0 1 382.493 3.272 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl ZINC000156746997 1423858265 /nfs/dbraw/zinc/85/82/65/1423858265.db2.gz WAXQXPZITPVEOL-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN CCN(C[C@@H]1CCN(CN2C[C@H](c3ccccc3)CC2=O)C1)CC(F)(F)F ZINC000156750373 1423858653 /nfs/dbraw/zinc/85/86/53/1423858653.db2.gz QBHVVFDPBCHWBN-FUHWJXTLSA-N 0 1 383.458 3.166 20 0 GGADMN Clc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCOCC2)cc1 ZINC000822574004 1423859692 /nfs/dbraw/zinc/85/96/92/1423859692.db2.gz MYETWKNWGVJYHW-UHFFFAOYSA-N 0 1 389.912 3.420 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000156780974 1423863882 /nfs/dbraw/zinc/86/38/82/1423863882.db2.gz PCUUIOXSMPEDLK-OAHLLOKOSA-N 0 1 375.469 3.087 20 0 GGADMN Cc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000156844013 1423874017 /nfs/dbraw/zinc/87/40/17/1423874017.db2.gz PVLNDXBQOHRPHI-FGZHOGPDSA-N 0 1 394.515 3.444 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)N2CCCC2)cc1 ZINC000156845377 1423874109 /nfs/dbraw/zinc/87/41/09/1423874109.db2.gz AKLOQXDCLGZGLS-FQEVSTJZSA-N 0 1 391.475 3.047 20 0 GGADMN OCCN(Cc1cccnc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000156849390 1423874603 /nfs/dbraw/zinc/87/46/03/1423874603.db2.gz YAQFDJNETVFLPN-LJQANCHMSA-N 0 1 375.472 3.045 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000156868037 1423877371 /nfs/dbraw/zinc/87/73/71/1423877371.db2.gz DDUZSQXDXZAHHI-OAQYLSRUSA-N 0 1 383.540 3.095 20 0 GGADMN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000156880309 1423879648 /nfs/dbraw/zinc/87/96/48/1423879648.db2.gz BDZJZTKCYDYMGR-AVRDEDQJSA-N 0 1 376.504 3.295 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000179993029 1429679459 /nfs/dbraw/zinc/67/94/59/1429679459.db2.gz LGLBFIQMCMJWPC-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000156907292 1423884109 /nfs/dbraw/zinc/88/41/09/1423884109.db2.gz KLOZOFAADKJJBR-MRXNPFEDSA-N 0 1 376.892 3.155 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156938031 1423889574 /nfs/dbraw/zinc/88/95/74/1423889574.db2.gz VVVMOGGIHNMHDO-HNAYVOBHSA-N 0 1 387.528 3.013 20 0 GGADMN C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000156941991 1423890385 /nfs/dbraw/zinc/89/03/85/1423890385.db2.gz UIHPDOSKNYFEKW-TZIWHRDSSA-N 0 1 386.561 3.445 20 0 GGADMN C[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000156942394 1423890793 /nfs/dbraw/zinc/89/07/93/1423890793.db2.gz UIHPDOSKNYFEKW-FPOVZHCZSA-N 0 1 386.561 3.445 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000156951801 1423892105 /nfs/dbraw/zinc/89/21/05/1423892105.db2.gz PXVSNRHCNGRCRZ-QGZVFWFLSA-N 0 1 399.564 3.251 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)C(=O)NC[C@H](c3cccs3)N(C)C)c2)n1 ZINC000156980502 1423896642 /nfs/dbraw/zinc/89/66/42/1423896642.db2.gz HXLPBBWYYFBZMQ-MRXNPFEDSA-N 0 1 398.488 3.069 20 0 GGADMN Cc1cc(F)ccc1-n1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)nn1 ZINC000179996605 1429680918 /nfs/dbraw/zinc/68/09/18/1429680918.db2.gz KACGEHMISYPDIJ-GOSISDBHSA-N 0 1 399.495 3.343 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c1Cl ZINC000179995918 1429681106 /nfs/dbraw/zinc/68/11/06/1429681106.db2.gz KKBAUHKUPDPNIU-UHFFFAOYSA-N 0 1 392.864 3.411 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Cl)c2)CN1Cc1ccccc1 ZINC000157005369 1423900784 /nfs/dbraw/zinc/90/07/84/1423900784.db2.gz TWLBVRDQBDTBQY-SCLBCKFNSA-N 0 1 389.858 3.197 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(Cl)c2)CN1Cc1ccccc1 ZINC000157005080 1423901026 /nfs/dbraw/zinc/90/10/26/1423901026.db2.gz TWLBVRDQBDTBQY-UGSOOPFHSA-N 0 1 389.858 3.197 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000157007211 1423901600 /nfs/dbraw/zinc/90/16/00/1423901600.db2.gz RMIHBTQEZJSOHL-UHFFFAOYSA-N 0 1 383.467 3.026 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736234804 1423903616 /nfs/dbraw/zinc/90/36/16/1423903616.db2.gz KRTRUDILLITIDM-WBVHZDCISA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736234804 1423903622 /nfs/dbraw/zinc/90/36/22/1423903622.db2.gz KRTRUDILLITIDM-WBVHZDCISA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736234804 1423903626 /nfs/dbraw/zinc/90/36/26/1423903626.db2.gz KRTRUDILLITIDM-WBVHZDCISA-N 0 1 376.464 3.073 20 0 GGADMN COC(=O)C[C@@H]1CSCCN1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000157023764 1423905103 /nfs/dbraw/zinc/90/51/03/1423905103.db2.gz PKSFNMICFFWQHG-QGZVFWFLSA-N 0 1 381.501 3.482 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000157052163 1423911976 /nfs/dbraw/zinc/91/19/76/1423911976.db2.gz PSPJSEIANKXLOX-MRXNPFEDSA-N 0 1 397.523 3.093 20 0 GGADMN O=C(CCN(CCO)Cc1cccnc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000157063650 1423915110 /nfs/dbraw/zinc/91/51/10/1423915110.db2.gz WMVAALLTAGMQNH-JOCHJYFZSA-N 0 1 395.528 3.233 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736233717 1423915726 /nfs/dbraw/zinc/91/57/26/1423915726.db2.gz GZUOAGFOGBSXRJ-WMLDXEAASA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736233717 1423915729 /nfs/dbraw/zinc/91/57/29/1423915729.db2.gz GZUOAGFOGBSXRJ-WMLDXEAASA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736233717 1423915732 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GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000157121217 1423931461 /nfs/dbraw/zinc/93/14/61/1423931461.db2.gz OVNARLSZHURGJX-OAQYLSRUSA-N 0 1 382.508 3.142 20 0 GGADMN Clc1cccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353460 1423938633 /nfs/dbraw/zinc/93/86/33/1423938633.db2.gz QBEIERTYCQGSGC-LJQANCHMSA-N 0 1 399.882 3.363 20 0 GGADMN Clc1cccc(OCCC[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353460 1423938637 /nfs/dbraw/zinc/93/86/37/1423938637.db2.gz QBEIERTYCQGSGC-LJQANCHMSA-N 0 1 399.882 3.363 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N3CCCc4ccccc43)ccc2NC1=O ZINC000180002653 1429684577 /nfs/dbraw/zinc/68/45/77/1429684577.db2.gz ZZGTZORDZINYRL-MGPUTAFESA-N 0 1 393.487 3.426 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC([C@@H](C)O)CC1)N1CCCCC1 ZINC000157173174 1423944979 /nfs/dbraw/zinc/94/49/79/1423944979.db2.gz QWGNUXYULMDSCC-YLJYHZDGSA-N 0 1 389.540 3.025 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000157195388 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OEIJBZNWCZCPBE-LPHOPBHVSA-N 0 1 398.569 3.003 20 0 GGADMN CC(C)(C)C[C@@H](CO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819907927 1423969646 /nfs/dbraw/zinc/96/96/46/1423969646.db2.gz TVDFLMSXCZBSNN-IBGZPJMESA-N 0 1 395.507 3.332 20 0 GGADMN Cc1[nH+]cn(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCCC2)c1C ZINC000737499883 1423969827 /nfs/dbraw/zinc/96/98/27/1423969827.db2.gz LKOJSLHLVSOBKX-UHFFFAOYSA-N 0 1 396.499 3.242 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N(C)CC3CCCCC3)ccc2NC1=O ZINC000180007987 1429687680 /nfs/dbraw/zinc/68/76/80/1429687680.db2.gz CWTKZMRDMXIOID-HNAYVOBHSA-N 0 1 387.524 3.485 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(C)CC3CCCCC3)ccc2NC1=O ZINC000180007972 1429688211 /nfs/dbraw/zinc/68/82/11/1429688211.db2.gz CWTKZMRDMXIOID-BEFAXECRSA-N 0 1 387.524 3.485 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826503160 1423987588 /nfs/dbraw/zinc/98/75/88/1423987588.db2.gz RUUGUBUPRZLDEM-QFBILLFUSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826503160 1423987591 /nfs/dbraw/zinc/98/75/91/1423987591.db2.gz RUUGUBUPRZLDEM-QFBILLFUSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826503160 1423987593 /nfs/dbraw/zinc/98/75/93/1423987593.db2.gz RUUGUBUPRZLDEM-QFBILLFUSA-N 0 1 385.418 3.233 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000826186339 1423988398 /nfs/dbraw/zinc/98/83/98/1423988398.db2.gz OFIYXMIQJDUQER-MAUKXSAKSA-N 0 1 378.480 3.340 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000826186339 1423988403 /nfs/dbraw/zinc/98/84/03/1423988403.db2.gz OFIYXMIQJDUQER-MAUKXSAKSA-N 0 1 378.480 3.340 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000826186339 1423988407 /nfs/dbraw/zinc/98/84/07/1423988407.db2.gz OFIYXMIQJDUQER-MAUKXSAKSA-N 0 1 378.480 3.340 20 0 GGADMN Cc1cc(N2CCN(CCc3nc(-c4ccccc4)no3)CC2)nc(C(C)C)n1 ZINC000157366947 1423995806 /nfs/dbraw/zinc/99/58/06/1423995806.db2.gz MJWPBISUCIKUOK-UHFFFAOYSA-N 0 1 392.507 3.323 20 0 GGADMN CCOc1cc2c(cc1CNC(=O)c1cccc(-c3nnc[nH]3)c1)O[C@H](C)C2 ZINC000157374720 1423997468 /nfs/dbraw/zinc/99/74/68/1423997468.db2.gz JZBULGQZQVYGPS-CYBMUJFWSA-N 0 1 378.432 3.124 20 0 GGADMN CCCN1CCN(c2ccc(NCC(C)(C)S(C)(=O)=O)cc2Cl)CC1 ZINC000157373004 1423997494 /nfs/dbraw/zinc/99/74/94/1423997494.db2.gz RTSSPXKAWIGZOY-UHFFFAOYSA-N 0 1 387.977 3.107 20 0 GGADMN O=C(NNc1ncc(F)cn1)C1(c2ccc(Br)cc2)CCCC1 ZINC000157381098 1423998818 /nfs/dbraw/zinc/99/88/18/1423998818.db2.gz ZWHHKSXHTDCLGK-UHFFFAOYSA-N 0 1 379.233 3.333 20 0 GGADMN O=C(NN=c1ncc(F)c[nH]1)C1(c2ccc(Br)cc2)CCCC1 ZINC000157381098 1423998823 /nfs/dbraw/zinc/99/88/23/1423998823.db2.gz ZWHHKSXHTDCLGK-UHFFFAOYSA-N 0 1 379.233 3.333 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[nH+]1 ZINC000826274475 1424001126 /nfs/dbraw/zinc/00/11/26/1424001126.db2.gz SJKLGDAIAQTVMQ-IUCAKERBSA-N 0 1 380.296 3.137 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)[nH]n2)cc1 ZINC000157394194 1424001696 /nfs/dbraw/zinc/00/16/96/1424001696.db2.gz JFBWHJOPFPMABO-UHFFFAOYSA-N 0 1 396.422 3.313 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3cc(F)ccc3F)ccc2NC1=O ZINC000180011473 1429690581 /nfs/dbraw/zinc/69/05/81/1429690581.db2.gz CEIUTTTWLDDQEY-GTNSWQLSSA-N 0 1 389.402 3.364 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cc(F)ccc3F)ccc2NC1=O ZINC000180011429 1429690974 /nfs/dbraw/zinc/69/09/74/1429690974.db2.gz CEIUTTTWLDDQEY-PIGZYNQJSA-N 0 1 389.402 3.364 20 0 GGADMN Cc1nc(N2CCN(CCC(=O)NCc3ccccc3Cl)CC2)sc1C ZINC000157464830 1424016571 /nfs/dbraw/zinc/01/65/71/1424016571.db2.gz XUOMAGBZUQOBNQ-UHFFFAOYSA-N 0 1 392.956 3.242 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1cccc(OC(F)F)c1 ZINC000157494031 1424023307 /nfs/dbraw/zinc/02/33/07/1424023307.db2.gz DYEFWOOTQMFNJX-CQSZACIVSA-N 0 1 384.448 3.058 20 0 GGADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000157502200 1424024844 /nfs/dbraw/zinc/02/48/44/1424024844.db2.gz BBZJUJDFZYPPFB-UONOGXRCSA-N 0 1 397.422 3.472 20 0 GGADMN COc1cc(CN(C(=O)[C@H](C)N2CCc3ccccc3C2)C2CC2)ccc1O ZINC000157510260 1424026701 /nfs/dbraw/zinc/02/67/01/1424026701.db2.gz ONFCMVAIQHJLOJ-INIZCTEOSA-N 0 1 380.488 3.339 20 0 GGADMN C[N@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1cc(Cl)cc(Cl)c1 ZINC000825953274 1424027648 /nfs/dbraw/zinc/02/76/48/1424027648.db2.gz CMMXDMWJONJNDI-UHFFFAOYSA-N 0 1 388.262 3.453 20 0 GGADMN C[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1cc(Cl)cc(Cl)c1 ZINC000825953274 1424027658 /nfs/dbraw/zinc/02/76/58/1424027658.db2.gz CMMXDMWJONJNDI-UHFFFAOYSA-N 0 1 388.262 3.453 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cnc(C(F)(F)F)nc1 ZINC000157528949 1424030895 /nfs/dbraw/zinc/03/08/95/1424030895.db2.gz MBANCLLUZIWKND-AWEZNQCLSA-N 0 1 378.398 3.232 20 0 GGADMN O=C(c1cccc(F)c1)N1CCCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000157532040 1424031766 /nfs/dbraw/zinc/03/17/66/1424031766.db2.gz YSBNDWSWLZKNFO-UHFFFAOYSA-N 0 1 394.450 3.266 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)N2CCCCC2)cc1 ZINC000157543744 1424034333 /nfs/dbraw/zinc/03/43/33/1424034333.db2.gz BTTHTEUPIGJUCP-GIVPXCGWSA-N 0 1 389.540 3.025 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCc2ccncc2C)N2CCCCC2)cc1 ZINC000157543309 1424034350 /nfs/dbraw/zinc/03/43/50/1424034350.db2.gz UTVXSBLVMRRJPF-QFIPXVFZSA-N 0 1 396.535 3.468 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[C@H]2O)N2CCCCC2)cc1 ZINC000157544060 1424034454 /nfs/dbraw/zinc/03/44/54/1424034454.db2.gz BTTHTEUPIGJUCP-HLAWJBBLSA-N 0 1 389.540 3.025 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C[C@H]1CCCCO1 ZINC000825322864 1424038294 /nfs/dbraw/zinc/03/82/94/1424038294.db2.gz KNCLOTQYOLZKCF-OAHLLOKOSA-N 0 1 394.317 3.410 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C[C@H]1CCCCO1 ZINC000825322864 1424038301 /nfs/dbraw/zinc/03/83/01/1424038301.db2.gz KNCLOTQYOLZKCF-OAHLLOKOSA-N 0 1 394.317 3.410 20 0 GGADMN Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826353718 1424047457 /nfs/dbraw/zinc/04/74/57/1424047457.db2.gz BIHYYIVLLPNNTM-MAUKXSAKSA-N 0 1 395.898 3.161 20 0 GGADMN Cc1ccccc1C(=O)NC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000157617978 1424050324 /nfs/dbraw/zinc/05/03/24/1424050324.db2.gz WRMONHHPOAEFFN-SFHVURJKSA-N 0 1 385.552 3.369 20 0 GGADMN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cc(F)c(F)c(F)c1 ZINC000157621334 1424050715 /nfs/dbraw/zinc/05/07/15/1424050715.db2.gz LQFPBSIVPNOADV-UHFFFAOYSA-N 0 1 381.335 3.487 20 0 GGADMN CNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1Cl ZINC000157640061 1424055068 /nfs/dbraw/zinc/05/50/68/1424055068.db2.gz DACDCIUACXGESL-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157642838 1424055326 /nfs/dbraw/zinc/05/53/26/1424055326.db2.gz MHCZTZNORYMGKC-UHFFFAOYSA-N 0 1 382.367 3.183 20 0 GGADMN CNC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1Cl ZINC000157644144 1424056098 /nfs/dbraw/zinc/05/60/98/1424056098.db2.gz KTDBQVXZXPICED-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000157658774 1424059125 /nfs/dbraw/zinc/05/91/25/1424059125.db2.gz PACNWEIVNRYMGQ-UHFFFAOYSA-N 0 1 384.480 3.265 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCc1ccncc1C)N1CCCC1 ZINC000157659609 1424059219 /nfs/dbraw/zinc/05/92/19/1424059219.db2.gz WMWWIDLNRDKSGA-HXUWFJFHSA-N 0 1 382.508 3.077 20 0 GGADMN Cc1cccc(C)c1CNC(=O)NNC(=O)c1ccc(Br)s1 ZINC000157658775 1424059463 /nfs/dbraw/zinc/05/94/63/1424059463.db2.gz DSDDZXCEWUGDRA-UHFFFAOYSA-N 0 1 382.283 3.272 20 0 GGADMN Cn1c2ccccc2nc1[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000157670148 1424061385 /nfs/dbraw/zinc/06/13/85/1424061385.db2.gz MULBUPHFNKSWBF-NRFANRHFSA-N 0 1 388.475 3.310 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N3CCc4ccccc4C3)ccc2NC1=O ZINC000180018014 1429695178 /nfs/dbraw/zinc/69/51/78/1429695178.db2.gz DILVXHGURRPMFW-FOIQADDNSA-N 0 1 393.487 3.032 20 0 GGADMN Cc1ccc(C)c([C@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000822232143 1424064764 /nfs/dbraw/zinc/06/47/64/1424064764.db2.gz VDEPOYHWWCDPKN-DYESRHJHSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccc(C)c([C@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000822232143 1424064769 /nfs/dbraw/zinc/06/47/69/1424064769.db2.gz VDEPOYHWWCDPKN-DYESRHJHSA-N 0 1 393.491 3.324 20 0 GGADMN CCCS(=O)(=O)NC1CCN(Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000180018832 1429695378 /nfs/dbraw/zinc/69/53/78/1429695378.db2.gz YTKLAVDZVQGKJK-UHFFFAOYSA-N 0 1 376.522 3.142 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000822740158 1424074990 /nfs/dbraw/zinc/07/49/90/1424074990.db2.gz HLSMDQKAOIAEHD-IBGZPJMESA-N 0 1 381.455 3.230 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)NCc3cccc(C)c3)ccc2NC1=O ZINC000180020343 1429696521 /nfs/dbraw/zinc/69/65/21/1429696521.db2.gz DKEPILPPNZEFLJ-BEFAXECRSA-N 0 1 381.476 3.072 20 0 GGADMN C[C@@H](Nc1ccc(CCN2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000180020145 1429696770 /nfs/dbraw/zinc/69/67/70/1429696770.db2.gz IBISWYCDUHAGLF-QGZVFWFLSA-N 0 1 388.533 3.138 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)[nH]c21 ZINC000157764239 1424083055 /nfs/dbraw/zinc/08/30/55/1424083055.db2.gz FYQOTINMDXNPRP-UHFFFAOYSA-N 0 1 392.419 3.236 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN(C)CCCc2ccc(Cl)cc2)CC1 ZINC000157773709 1424085043 /nfs/dbraw/zinc/08/50/43/1424085043.db2.gz XWRQFJMYOBFEMF-UHFFFAOYSA-N 0 1 380.916 3.006 20 0 GGADMN CCO[C@@H](C)c1nc(CN(C)CCN2CCN(c3ccccc3)CC2)cs1 ZINC000157783038 1424087265 /nfs/dbraw/zinc/08/72/65/1424087265.db2.gz XMHWAQMZNGQQRW-SFHVURJKSA-N 0 1 388.581 3.495 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3csc(-c4ccccn4)n3)[nH]c21 ZINC000157797157 1424090517 /nfs/dbraw/zinc/09/05/17/1424090517.db2.gz FMGHUOFVPABFHY-UHFFFAOYSA-N 0 1 393.428 3.049 20 0 GGADMN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc3nc[nH]c32)ccc1C ZINC000157830886 1424097669 /nfs/dbraw/zinc/09/76/69/1424097669.db2.gz VAKQVVJKUHAPAG-UHFFFAOYSA-N 0 1 386.477 3.154 20 0 GGADMN C[C@@H](Nc1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21)c1cccc(O)c1 ZINC000820450392 1424097790 /nfs/dbraw/zinc/09/77/90/1424097790.db2.gz JZBBHGHIDNCLRU-SNVBAGLBSA-N 0 1 398.373 3.317 20 0 GGADMN C[C@@](O)(CNCc1cc2c(cc1Br)OCO2)c1ccc(F)cc1 ZINC000157836072 1424099553 /nfs/dbraw/zinc/09/95/53/1424099553.db2.gz ICPNMQOUXCDRGY-QGZVFWFLSA-N 0 1 382.229 3.314 20 0 GGADMN N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2)c(F)c1 ZINC000157837626 1424100360 /nfs/dbraw/zinc/10/03/60/1424100360.db2.gz XSBDJVQOJAYBHS-UHFFFAOYSA-N 0 1 377.466 3.051 20 0 GGADMN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cnn1C1CCOCC1 ZINC000157853074 1424104642 /nfs/dbraw/zinc/10/46/42/1424104642.db2.gz AKLLXTQGGRQYNV-GOSISDBHSA-N 0 1 388.537 3.171 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cnn(CC(C)C)c1C)N1CCCC1 ZINC000157863400 1424106564 /nfs/dbraw/zinc/10/65/64/1424106564.db2.gz NFECPEKAAMXKTN-HXUWFJFHSA-N 0 1 384.524 3.423 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@H](c3ccccc3OC)C2)c1C ZINC000157869146 1424108221 /nfs/dbraw/zinc/10/82/21/1424108221.db2.gz FPPNCGYUGSKUJL-HOTGVXAUSA-N 0 1 384.476 3.487 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC[C@H](c3ccccc3OC)C2)c1C ZINC000157868993 1424108305 /nfs/dbraw/zinc/10/83/05/1424108305.db2.gz FPPNCGYUGSKUJL-CVEARBPZSA-N 0 1 384.476 3.487 20 0 GGADMN Cc1cn(-c2ccccc2Cl)nc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000157868184 1424108318 /nfs/dbraw/zinc/10/83/18/1424108318.db2.gz MAWGZZJQTAEMAM-IYBDPMFKSA-N 0 1 390.915 3.063 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736390762 1424109561 /nfs/dbraw/zinc/10/95/61/1424109561.db2.gz KCKWZSXFOSSZER-GOSISDBHSA-N 0 1 384.434 3.418 20 0 GGADMN COc1ccccc1CN(CCO)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000157877519 1424110613 /nfs/dbraw/zinc/11/06/13/1424110613.db2.gz YDVDRGJYJOJEOT-UHFFFAOYSA-N 0 1 387.867 3.436 20 0 GGADMN O=C(CN1CCN(CCCc2ccc(Cl)cc2)CC1)NC1CCCCC1 ZINC000157883403 1424111776 /nfs/dbraw/zinc/11/17/76/1424111776.db2.gz MWEHJWYXFYILOA-UHFFFAOYSA-N 0 1 377.960 3.339 20 0 GGADMN CCc1ccc([C@@H](CO)NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000157885844 1424111903 /nfs/dbraw/zinc/11/19/03/1424111903.db2.gz FRDNHWLBLDFPTM-WOJBJXKFSA-N 0 1 385.508 3.320 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000157885699 1424112007 /nfs/dbraw/zinc/11/20/07/1424112007.db2.gz FRDNHWLBLDFPTM-PMACEKPBSA-N 0 1 385.508 3.320 20 0 GGADMN COC(=O)CCCOc1ccc(NC(=O)[C@H](N)c2cccc(Cl)c2)cc1 ZINC000157886237 1424112024 /nfs/dbraw/zinc/11/20/24/1424112024.db2.gz GMIHNWHBLPPLCO-GOSISDBHSA-N 0 1 376.840 3.311 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N(C)Cc3ccccc3C)ccc2NC1=O ZINC000180022547 1429699371 /nfs/dbraw/zinc/69/93/71/1429699371.db2.gz FKFJBUBCGXFLOX-OXJNMPFZSA-N 0 1 395.503 3.414 20 0 GGADMN COc1ccccc1[C@H]1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000157893916 1424114432 /nfs/dbraw/zinc/11/44/32/1424114432.db2.gz VIYGQZMWKGBKGW-PMACEKPBSA-N 0 1 393.531 3.127 20 0 GGADMN COc1ccccc1[C@@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000157969422 1424131743 /nfs/dbraw/zinc/13/17/43/1424131743.db2.gz IMWPBHWOOZQJFU-OAHLLOKOSA-N 0 1 379.416 3.463 20 0 GGADMN CC[NH+](CC)CCOc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000821190016 1424135844 /nfs/dbraw/zinc/13/58/44/1424135844.db2.gz XQJMCYPWOAVFML-UHFFFAOYSA-N 0 1 396.495 3.208 20 0 GGADMN CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000157991627 1424135799 /nfs/dbraw/zinc/13/57/99/1424135799.db2.gz FVHWMSJBCFJREA-FUHWJXTLSA-N 0 1 389.565 3.259 20 0 GGADMN CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000157991490 1424136119 /nfs/dbraw/zinc/13/61/19/1424136119.db2.gz FVHWMSJBCFJREA-SJLPKXTDSA-N 0 1 389.565 3.259 20 0 GGADMN CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000157991343 1424136141 /nfs/dbraw/zinc/13/61/41/1424136141.db2.gz FVHWMSJBCFJREA-WMZOPIPTSA-N 0 1 389.565 3.259 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)NCc3sccc3C)ccc2NC1=O ZINC000180028477 1429703006 /nfs/dbraw/zinc/70/30/06/1429703006.db2.gz LHCAOGXHFUSMBI-CZUORRHYSA-N 0 1 387.505 3.133 20 0 GGADMN COc1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000158023049 1424141860 /nfs/dbraw/zinc/14/18/60/1424141860.db2.gz YZESKDOHJZFENT-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN COc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000158023049 1424141865 /nfs/dbraw/zinc/14/18/65/1424141865.db2.gz YZESKDOHJZFENT-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN COc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000158023049 1424141868 /nfs/dbraw/zinc/14/18/68/1424141868.db2.gz YZESKDOHJZFENT-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN COc1ccccc1[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000158025550 1424142479 /nfs/dbraw/zinc/14/24/79/1424142479.db2.gz MUQQROJKTOKAMQ-RDJZCZTQSA-N 0 1 381.476 3.470 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCOc3ccccc3C)n2)cc1 ZINC000158030634 1424143420 /nfs/dbraw/zinc/14/34/20/1424143420.db2.gz QESOFOULMNWHHE-UHFFFAOYSA-N 0 1 382.489 3.376 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCOc2ncccc2Cl)N2CCCC2)o1 ZINC000158036896 1424144227 /nfs/dbraw/zinc/14/42/27/1424144227.db2.gz QQEJZIYVORSJFF-MRXNPFEDSA-N 0 1 392.887 3.152 20 0 GGADMN C[N@@H+](CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)Cc1ccccc1 ZINC000736799665 1424151205 /nfs/dbraw/zinc/15/12/05/1424151205.db2.gz CLEJJGXKKXBAND-UHFFFAOYSA-N 0 1 395.417 3.237 20 0 GGADMN C[N@H+](CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)Cc1ccccc1 ZINC000736799665 1424151209 /nfs/dbraw/zinc/15/12/09/1424151209.db2.gz CLEJJGXKKXBAND-UHFFFAOYSA-N 0 1 395.417 3.237 20 0 GGADMN C[N@@H+](CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)Cc1ccccc1 ZINC000736799665 1424151212 /nfs/dbraw/zinc/15/12/12/1424151212.db2.gz CLEJJGXKKXBAND-UHFFFAOYSA-N 0 1 395.417 3.237 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824763760 1424154038 /nfs/dbraw/zinc/15/40/38/1424154038.db2.gz OYWAMFTZAGVCHI-LBPRGKRZSA-N 0 1 390.463 3.085 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000158071403 1424157876 /nfs/dbraw/zinc/15/78/76/1424157876.db2.gz FVDAGKLQBFBJPK-UHFFFAOYSA-N 0 1 397.523 3.359 20 0 GGADMN N#Cc1ccccc1OCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158073590 1424157966 /nfs/dbraw/zinc/15/79/66/1424157966.db2.gz GVDRWWWJAIQHLY-GOSISDBHSA-N 0 1 399.878 3.077 20 0 GGADMN Cc1c([C@@H](C)NCCCOC[C@@H]2CCOC2)nnn1-c1cccc(Cl)c1 ZINC000158077173 1424158902 /nfs/dbraw/zinc/15/89/02/1424158902.db2.gz APYUKWCVKWBKBQ-ZBFHGGJFSA-N 0 1 378.904 3.323 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2oc3ccccc3c2C)n1 ZINC000158095508 1424166362 /nfs/dbraw/zinc/16/63/62/1424166362.db2.gz OYSKOFKLNSCFJM-LBPRGKRZSA-N 0 1 387.461 3.203 20 0 GGADMN Cc1ccc([C@H](CNC(=O)CCN2C(=O)CCc3ccccc32)N2CCCC2)o1 ZINC000158099186 1424167340 /nfs/dbraw/zinc/16/73/40/1424167340.db2.gz WWHYYYBBCTYTDQ-FQEVSTJZSA-N 0 1 395.503 3.211 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000158104902 1424168334 /nfs/dbraw/zinc/16/83/34/1424168334.db2.gz FTAPQZSUZIMQSZ-OKILXGFUSA-N 0 1 389.452 3.112 20 0 GGADMN COc1ccccc1[C@H]1CCN(CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000158114187 1424170869 /nfs/dbraw/zinc/17/08/69/1424170869.db2.gz ZJUUDXCDJHGRIT-INIZCTEOSA-N 0 1 395.528 3.453 20 0 GGADMN CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736480299 1424171296 /nfs/dbraw/zinc/17/12/96/1424171296.db2.gz KAHNSFUWRAMJSQ-MRXNPFEDSA-N 0 1 396.520 3.086 20 0 GGADMN COc1cc2c(cc1CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)O[C@H](C)C2 ZINC000158128154 1424173937 /nfs/dbraw/zinc/17/39/37/1424173937.db2.gz NKZBOCRPWIJMSH-QAPCUYQASA-N 0 1 399.491 3.248 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)C3CCC(C)CC3)ccc2NC1=O ZINC000180029870 1429703440 /nfs/dbraw/zinc/70/34/40/1429703440.db2.gz URVCYIOEBYHFJK-ULGDZEHDSA-N 0 1 387.524 3.484 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N3CCc4sccc4C3)ccc2NC1=O ZINC000180029718 1429703534 /nfs/dbraw/zinc/70/35/34/1429703534.db2.gz DBFKVECFYBHART-GUYCJALGSA-N 0 1 399.516 3.093 20 0 GGADMN CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000821088690 1424175483 /nfs/dbraw/zinc/17/54/83/1424175483.db2.gz SNACAHTVEYUEHM-UHFFFAOYSA-N 0 1 382.468 3.236 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000821088690 1424175487 /nfs/dbraw/zinc/17/54/87/1424175487.db2.gz SNACAHTVEYUEHM-UHFFFAOYSA-N 0 1 382.468 3.236 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000158142911 1424177851 /nfs/dbraw/zinc/17/78/51/1424177851.db2.gz AJJJLNFTVGMHLJ-KRWDZBQOSA-N 0 1 386.452 3.205 20 0 GGADMN COc1ccc([C@H](OC(=O)CCc2nc[nH]n2)c2ccc(OC)cc2C)cc1 ZINC000158160897 1424182873 /nfs/dbraw/zinc/18/28/73/1424182873.db2.gz WUBAASMBQCRSHJ-NRFANRHFSA-N 0 1 381.432 3.396 20 0 GGADMN CC1N=NC(=S)N1c1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000158164000 1424183828 /nfs/dbraw/zinc/18/38/28/1424183828.db2.gz AUUMMBBHPWFNCK-LJQANCHMSA-N 0 1 393.516 3.468 20 0 GGADMN CO[C@@H]1CC[C@@H]2OCCN(CCOc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000158163903 1424183975 /nfs/dbraw/zinc/18/39/75/1424183975.db2.gz FZXIGFYVYGDLEW-ZACQAIPSSA-N 0 1 375.387 3.232 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)c1cccc(OC)c1 ZINC000736535525 1429704380 /nfs/dbraw/zinc/70/43/80/1429704380.db2.gz UZHGBMKVTYBKFW-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1cccc(OC)c1 ZINC000736535525 1429704383 /nfs/dbraw/zinc/70/43/83/1429704383.db2.gz UZHGBMKVTYBKFW-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1cccc(OC)c1 ZINC000736535525 1429704390 /nfs/dbraw/zinc/70/43/90/1429704390.db2.gz UZHGBMKVTYBKFW-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000158186871 1424189220 /nfs/dbraw/zinc/18/92/20/1424189220.db2.gz SFYAAWOTEMHLHN-VQIMIIECSA-N 0 1 379.932 3.107 20 0 GGADMN COc1cccc([C@@H](NCCCS(=O)(=O)N(C)C)c2ccccc2Cl)c1 ZINC000158189390 1424190175 /nfs/dbraw/zinc/19/01/75/1424190175.db2.gz IARGOBHSTHAVAY-LJQANCHMSA-N 0 1 396.940 3.309 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NOCCC(F)(F)F)N2CCCC2)cc1 ZINC000158193053 1424190710 /nfs/dbraw/zinc/19/07/10/1424190710.db2.gz ZPFAGHIOTYNMMH-OAHLLOKOSA-N 0 1 375.391 3.015 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C3CC3)C3CCCC3)ccc2NC1=O ZINC000180033078 1429704864 /nfs/dbraw/zinc/70/48/64/1429704864.db2.gz DCQCBSAMIKEFEO-LIRRHRJNSA-N 0 1 385.508 3.380 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCc3cnn(C)c3C(F)(F)F)ccc2NC1=O ZINC000180033450 1429705164 /nfs/dbraw/zinc/70/51/64/1429705164.db2.gz WCPBZVORAZOMNZ-YGRLFVJLSA-N 0 1 382.386 3.399 20 0 GGADMN CN(C)C(=O)[C@H](c1ccccc1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158212978 1424197033 /nfs/dbraw/zinc/19/70/33/1424197033.db2.gz AUBDMIFBEZUKLW-AVRDEDQJSA-N 0 1 387.524 3.149 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccccc1S(=O)(=O)C(C)C)N(C)C ZINC000158212494 1424197185 /nfs/dbraw/zinc/19/71/85/1424197185.db2.gz MZMSXTONOQQVRK-KRWDZBQOSA-N 0 1 383.558 3.357 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(Cl)cn3)ccc2NC1=O ZINC000180034011 1429705480 /nfs/dbraw/zinc/70/54/80/1429705480.db2.gz GWCGMINVRLSVBG-ABAIWWIYSA-N 0 1 388.855 3.134 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C[C@H](O)c3ccc(F)cc3F)C2)C1 ZINC000158260981 1424211629 /nfs/dbraw/zinc/21/16/29/1424211629.db2.gz ZPSRCMDNXLEJPB-PXNSSMCTSA-N 0 1 382.451 3.331 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)n[nH]1 ZINC000158290832 1424218184 /nfs/dbraw/zinc/21/81/84/1424218184.db2.gz PCIXQGGONTWNKS-YEWDVWPNSA-N 0 1 376.888 3.474 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000158297302 1424219782 /nfs/dbraw/zinc/21/97/82/1424219782.db2.gz KYLDCJZCRYVUHC-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)c2C1 ZINC000158300278 1424220481 /nfs/dbraw/zinc/22/04/81/1424220481.db2.gz QKBFJCBSVNUOJZ-UHFFFAOYSA-N 0 1 386.517 3.455 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000158297419 1424220541 /nfs/dbraw/zinc/22/05/41/1424220541.db2.gz KYLDCJZCRYVUHC-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccc(C)cc1NC(=O)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000158307766 1424222372 /nfs/dbraw/zinc/22/23/72/1424222372.db2.gz FWSRYEZQVNAJLR-SFHVURJKSA-N 0 1 395.503 3.065 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CNC(=O)Cc3cccc(F)c3)c2C1 ZINC000158308466 1424222790 /nfs/dbraw/zinc/22/27/90/1424222790.db2.gz NXIZGZAUILNPOR-UHFFFAOYSA-N 0 1 383.467 3.095 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCCc3c2cnn3C)N2CCCC2)o1 ZINC000158314815 1424224296 /nfs/dbraw/zinc/22/42/96/1424224296.db2.gz OCAKKKMBILCYGI-HKUYNNGSSA-N 0 1 385.512 3.177 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)c2C1 ZINC000158322167 1424226241 /nfs/dbraw/zinc/22/62/41/1424226241.db2.gz FTULGFCJGMGUNX-HSZRJFAPSA-N 0 1 393.531 3.498 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(N4CCNC4=O)cc3)c2C1 ZINC000158329596 1424227498 /nfs/dbraw/zinc/22/74/98/1424227498.db2.gz DPUSBQMMZGKMOJ-UHFFFAOYSA-N 0 1 378.476 3.440 20 0 GGADMN NC(=O)CC[C@H]1CCCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000158333387 1424229066 /nfs/dbraw/zinc/22/90/66/1424229066.db2.gz KPRDGBCVDFITJZ-CQSZACIVSA-N 0 1 391.313 3.248 20 0 GGADMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cnn1CC(C)C ZINC000158334625 1424229567 /nfs/dbraw/zinc/22/95/67/1424229567.db2.gz XIZDRFJYCXAUDF-UHFFFAOYSA-N 0 1 397.567 3.098 20 0 GGADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC1([NH+]2CCSCC2)CCCC1 ZINC000823796951 1424232822 /nfs/dbraw/zinc/23/28/22/1424232822.db2.gz IVOHVXQRAXXXEQ-UHFFFAOYSA-N 0 1 395.536 3.188 20 0 GGADMN CN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000158371031 1424238418 /nfs/dbraw/zinc/23/84/18/1424238418.db2.gz WNWDBGOLKMYROV-HXUWFJFHSA-N 0 1 375.476 3.004 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000158373298 1424239152 /nfs/dbraw/zinc/23/91/52/1424239152.db2.gz HWYDHTXIZWETLS-SFHVURJKSA-N 0 1 388.443 3.217 20 0 GGADMN CN(C)C1CN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1 ZINC000158374696 1424239620 /nfs/dbraw/zinc/23/96/20/1424239620.db2.gz JAZFWGZZNCPZSQ-UHFFFAOYSA-N 0 1 377.444 3.000 20 0 GGADMN O=C(NOCCC(F)(F)F)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000158392466 1424243308 /nfs/dbraw/zinc/24/33/08/1424243308.db2.gz LKCOJMXMUQQDCB-CYBMUJFWSA-N 0 1 399.335 3.463 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cc(F)cc3cccnc32)c(C)s1 ZINC000158411801 1424248139 /nfs/dbraw/zinc/24/81/39/1424248139.db2.gz MVMRWMDQHDHJJX-UHFFFAOYSA-N 0 1 393.509 3.120 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3c(Cl)n(C)nc3C(C)C)[nH]c21 ZINC000158415186 1424249218 /nfs/dbraw/zinc/24/92/18/1424249218.db2.gz XWKORTYKDKQRNM-UHFFFAOYSA-N 0 1 375.816 3.112 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(C)n(-c4cc(C)on4)c3C)[nH]c21 ZINC000158426340 1424251198 /nfs/dbraw/zinc/25/11/98/1424251198.db2.gz QROFWTKVWUTEHH-UHFFFAOYSA-N 0 1 393.403 3.306 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OCCn2ccnc2)c1 ZINC000158432367 1424252894 /nfs/dbraw/zinc/25/28/94/1424252894.db2.gz QITQKGBTQVRTQY-UHFFFAOYSA-N 0 1 399.472 3.356 20 0 GGADMN CCOc1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825653442 1424267848 /nfs/dbraw/zinc/26/78/48/1424267848.db2.gz CSOVVDPULIQERH-UHFFFAOYSA-N 0 1 394.479 3.140 20 0 GGADMN CCNC(=O)C(C)(C)CN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000158483445 1424269027 /nfs/dbraw/zinc/26/90/27/1424269027.db2.gz NARKPWCABVONDH-LJQANCHMSA-N 0 1 383.492 3.127 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180048401 1429712976 /nfs/dbraw/zinc/71/29/76/1429712976.db2.gz JLDVDJXGSMZZCR-WFASDCNBSA-N 0 1 377.847 3.456 20 0 GGADMN CCOC(=O)CNC(=O)C1CCN([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000158511022 1424276164 /nfs/dbraw/zinc/27/61/64/1424276164.db2.gz ZFGFWBALRQELLT-KRWDZBQOSA-N 0 1 399.318 3.372 20 0 GGADMN Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCCO2 ZINC000158514934 1424276976 /nfs/dbraw/zinc/27/69/76/1424276976.db2.gz UEBSRVWRJKSYPY-OAQYLSRUSA-N 0 1 380.536 3.454 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000158522906 1424278850 /nfs/dbraw/zinc/27/88/50/1424278850.db2.gz KCOQATMDSXUKOZ-IBGZPJMESA-N 0 1 397.523 3.065 20 0 GGADMN Cc1ncc(C(=O)OC[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)c(C)n1 ZINC000180049169 1429713632 /nfs/dbraw/zinc/71/36/32/1429713632.db2.gz OOXFMDSGCRDJIV-OAHLLOKOSA-N 0 1 375.419 3.441 20 0 GGADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158552335 1424287621 /nfs/dbraw/zinc/28/76/21/1424287621.db2.gz VTPQKVYHORZIKR-UHFFFAOYSA-N 0 1 384.524 3.030 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000826248596 1424290428 /nfs/dbraw/zinc/29/04/28/1424290428.db2.gz OTBZMGYIIYOTTA-MAUKXSAKSA-N 0 1 396.520 3.050 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000826248596 1424290432 /nfs/dbraw/zinc/29/04/32/1424290432.db2.gz OTBZMGYIIYOTTA-MAUKXSAKSA-N 0 1 396.520 3.050 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000826248596 1424290435 /nfs/dbraw/zinc/29/04/35/1424290435.db2.gz OTBZMGYIIYOTTA-MAUKXSAKSA-N 0 1 396.520 3.050 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000158566016 1424290581 /nfs/dbraw/zinc/29/05/81/1424290581.db2.gz RFUQKUDGYIOYIQ-MSOLQXFVSA-N 0 1 388.533 3.473 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000158565725 1424290774 /nfs/dbraw/zinc/29/07/74/1424290774.db2.gz RFUQKUDGYIOYIQ-ROUUACIJSA-N 0 1 388.533 3.473 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 ZINC000158568393 1424291712 /nfs/dbraw/zinc/29/17/12/1424291712.db2.gz JHLRLZPZECDUFZ-VGSWGCGISA-N 0 1 387.524 3.197 20 0 GGADMN CC[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cn1)c1ccc(OC)cc1 ZINC000158579536 1424295162 /nfs/dbraw/zinc/29/51/62/1424295162.db2.gz RHEGWDAFHDBSGM-QGZVFWFLSA-N 0 1 382.508 3.364 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3occc3-c3ccc(F)cc3)nc2)CC1 ZINC000158578937 1424295225 /nfs/dbraw/zinc/29/52/25/1424295225.db2.gz TTYTVGAJYRTTDV-UHFFFAOYSA-N 0 1 380.423 3.485 20 0 GGADMN CC(C)Oc1ccccc1CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158591385 1424297215 /nfs/dbraw/zinc/29/72/15/1424297215.db2.gz TXYFUWRQWAQYCW-FGZHOGPDSA-N 0 1 396.531 3.016 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000158591703 1424297471 /nfs/dbraw/zinc/29/74/71/1424297471.db2.gz QECAJZXAPPJFPB-GOSISDBHSA-N 0 1 387.549 3.395 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(F)cc1F ZINC000158591402 1424297627 /nfs/dbraw/zinc/29/76/27/1424297627.db2.gz CBGHXNHYIBVORY-IAGOWNOFSA-N 0 1 395.475 3.013 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000158601948 1424300512 /nfs/dbraw/zinc/30/05/12/1424300512.db2.gz AYQYFSJIMKDISL-MSOLQXFVSA-N 0 1 388.533 3.188 20 0 GGADMN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1nc2ccccc2n1C ZINC000180053730 1429715695 /nfs/dbraw/zinc/71/56/95/1429715695.db2.gz CECWHJVIESCHNL-SFHVURJKSA-N 0 1 394.519 3.135 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000158616608 1424302746 /nfs/dbraw/zinc/30/27/46/1424302746.db2.gz RQPXNRXGMLCIML-DNVCBOLYSA-N 0 1 376.859 3.092 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc2cc(F)ccc2o1 ZINC000158613346 1424302793 /nfs/dbraw/zinc/30/27/93/1424302793.db2.gz CWTRVROHNVLHOE-QFBILLFUSA-N 0 1 382.435 3.185 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H](C)CS(=O)(=O)c3ccc(C)cc3)c(C)n2n1 ZINC000158621770 1424303419 /nfs/dbraw/zinc/30/34/19/1424303419.db2.gz LEAKLSCYOMNIOU-HOTGVXAUSA-N 0 1 386.521 3.168 20 0 GGADMN Cc1cc(CN2CCC(N3CCCNC3=O)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000158619981 1424303573 /nfs/dbraw/zinc/30/35/73/1424303573.db2.gz WQPVRFCPMIEGPJ-UHFFFAOYSA-N 0 1 399.926 3.485 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2CC(=O)NCCCN2CCCCCC2=O)o1 ZINC000158646953 1424309647 /nfs/dbraw/zinc/30/96/47/1424309647.db2.gz GHLNOZDVHYLAAY-LJQANCHMSA-N 0 1 389.540 3.414 20 0 GGADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1F ZINC000158657617 1424312549 /nfs/dbraw/zinc/31/25/49/1424312549.db2.gz DWSFGRYUSVXICF-SFGWALBWSA-N 0 1 384.495 3.319 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000158673915 1424315449 /nfs/dbraw/zinc/31/54/49/1424315449.db2.gz MIODLVNRISXAGG-HDICACEKSA-N 0 1 385.512 3.110 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1ccc2nnc(C(F)F)n2c1)c1ccco1 ZINC000158677854 1424316112 /nfs/dbraw/zinc/31/61/12/1424316112.db2.gz YFQJWICOPLMCCW-CYBMUJFWSA-N 0 1 377.395 3.073 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909411 1424316930 /nfs/dbraw/zinc/31/69/30/1424316930.db2.gz YCQBZFKTCMFTRY-ZDUSSCGKSA-N 0 1 392.529 3.007 20 0 GGADMN CN(C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909411 1424316934 /nfs/dbraw/zinc/31/69/34/1424316934.db2.gz YCQBZFKTCMFTRY-ZDUSSCGKSA-N 0 1 392.529 3.007 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909411 1424316943 /nfs/dbraw/zinc/31/69/43/1424316943.db2.gz YCQBZFKTCMFTRY-ZDUSSCGKSA-N 0 1 392.529 3.007 20 0 GGADMN NCc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)o1 ZINC000158690686 1424320975 /nfs/dbraw/zinc/32/09/75/1424320975.db2.gz VJYZHVLLRSZMQH-UHFFFAOYSA-N 0 1 379.819 3.022 20 0 GGADMN COc1ccc(CCCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000158718981 1424326341 /nfs/dbraw/zinc/32/63/41/1424326341.db2.gz UPRGIOPMILIONS-FYYLOGMGSA-N 0 1 396.531 3.017 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C[C@H](O)c3ccc(F)c(F)c3)C2)C1 ZINC000158720030 1424326723 /nfs/dbraw/zinc/32/67/23/1424326723.db2.gz QVBLSOAGKVWOFR-PXNSSMCTSA-N 0 1 382.451 3.331 20 0 GGADMN CCCCCOc1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1 ZINC000158722745 1424327764 /nfs/dbraw/zinc/32/77/64/1424327764.db2.gz UEIGFDDQXHEXPJ-UHFFFAOYSA-N 0 1 387.465 3.032 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@H]1SCCc2ccccc21 ZINC000158727727 1424328392 /nfs/dbraw/zinc/32/83/92/1424328392.db2.gz QQORXNJOBSWMKZ-FCEUIQTBSA-N 0 1 396.556 3.016 20 0 GGADMN Cc1nn(C)c(C)c1CN(C)c1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc21 ZINC000822195222 1424328717 /nfs/dbraw/zinc/32/87/17/1424328717.db2.gz KMCVEFNXIULGDD-UHFFFAOYSA-N 0 1 376.468 3.018 20 0 GGADMN Cc1ccc2oc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2c1 ZINC000158730343 1424329586 /nfs/dbraw/zinc/32/95/86/1424329586.db2.gz OSGAIPWNVVDCOJ-UYAOXDASSA-N 0 1 378.472 3.354 20 0 GGADMN CC(C)c1cc(CN[C@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)on1 ZINC000158781941 1424341143 /nfs/dbraw/zinc/34/11/43/1424341143.db2.gz SLIOAVQCKTYDLI-UZLBHIALSA-N 0 1 387.480 3.314 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000158787143 1424341528 /nfs/dbraw/zinc/34/15/28/1424341528.db2.gz AJYTWRDIBRNOMQ-INIZCTEOSA-N 0 1 377.847 3.145 20 0 GGADMN Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822323254 1424344631 /nfs/dbraw/zinc/34/46/31/1424344631.db2.gz BJYLRVNGGJNYLC-ZDUSSCGKSA-N 0 1 382.443 3.130 20 0 GGADMN CCc1cnc(CN[C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)s1 ZINC000158796274 1424344672 /nfs/dbraw/zinc/34/46/72/1424344672.db2.gz TWZBXHLOXJNBAM-MAUKXSAKSA-N 0 1 389.521 3.221 20 0 GGADMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)cc1Cl ZINC000158801127 1424345409 /nfs/dbraw/zinc/34/54/09/1424345409.db2.gz MGFDAVVDMIXMKA-MELADBBJSA-N 0 1 376.840 3.247 20 0 GGADMN Cc1ccc([C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[NH+]2CCCC2)cc1 ZINC000737318248 1424346200 /nfs/dbraw/zinc/34/62/00/1424346200.db2.gz BUOBAWNCPHJONC-INIZCTEOSA-N 0 1 383.887 3.473 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000158855522 1424358159 /nfs/dbraw/zinc/35/81/59/1424358159.db2.gz GNXOYGMGAZTHIX-LJQANCHMSA-N 0 1 385.895 3.475 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000158861577 1424359407 /nfs/dbraw/zinc/35/94/07/1424359407.db2.gz WIVFIJVAZSINGU-UHFFFAOYSA-N 0 1 377.448 3.271 20 0 GGADMN CCC[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1nnc2ccccn21 ZINC000158864162 1424359416 /nfs/dbraw/zinc/35/94/16/1424359416.db2.gz ODCBDLMJPVWHLC-ZWKOTPCHSA-N 0 1 398.486 3.312 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccnc(-n2cccn2)c1 ZINC000158879832 1424362932 /nfs/dbraw/zinc/36/29/32/1424362932.db2.gz UNJJSSQOWSBFLC-UHFFFAOYSA-N 0 1 395.894 3.315 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCc2cccc(F)c2C1 ZINC000158893715 1424365418 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DJUDUBFXOUWCKF-QZTJIDSGSA-N 0 1 398.511 3.137 20 0 GGADMN CC[C@H](C(=O)N1CCC(NC(=O)c2[nH]nc3c2CCCC3)CC1)c1ccccc1 ZINC000158954593 1424380878 /nfs/dbraw/zinc/38/08/78/1424380878.db2.gz CVAQXBKDQZAGSU-SFHVURJKSA-N 0 1 394.519 3.203 20 0 GGADMN O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000158988469 1424388560 /nfs/dbraw/zinc/38/85/60/1424388560.db2.gz PWLKAUMOXCPHDX-GASCZTMLSA-N 0 1 397.479 3.101 20 0 GGADMN CC1(C)CN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824808429 1424390879 /nfs/dbraw/zinc/39/08/79/1424390879.db2.gz RQTCLBMGKMMHNJ-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)C[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824808429 1424390884 /nfs/dbraw/zinc/39/08/84/1424390884.db2.gz RQTCLBMGKMMHNJ-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824808429 1424390889 /nfs/dbraw/zinc/39/08/89/1424390889.db2.gz RQTCLBMGKMMHNJ-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1 ZINC000158999703 1424391183 /nfs/dbraw/zinc/39/11/83/1424391183.db2.gz WNPSZXOOMJSKIH-UHFFFAOYSA-N 0 1 388.493 3.432 20 0 GGADMN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC000159005005 1424393068 /nfs/dbraw/zinc/39/30/68/1424393068.db2.gz DFAYXAZHDCRWSJ-UHFFFAOYSA-N 0 1 389.818 3.379 20 0 GGADMN Cc1ccc2c(CN(C)CCN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1C ZINC000159075448 1424411338 /nfs/dbraw/zinc/41/13/38/1424411338.db2.gz CJALFSNGIPSRER-UHFFFAOYSA-N 0 1 390.439 3.138 20 0 GGADMN CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820950712 1424413907 /nfs/dbraw/zinc/41/39/07/1424413907.db2.gz RFVMEPOWUJXIOX-LJQANCHMSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820950712 1424413909 /nfs/dbraw/zinc/41/39/09/1424413909.db2.gz RFVMEPOWUJXIOX-LJQANCHMSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820950712 1424413916 /nfs/dbraw/zinc/41/39/16/1424413916.db2.gz RFVMEPOWUJXIOX-LJQANCHMSA-N 0 1 388.541 3.258 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000159093293 1424415382 /nfs/dbraw/zinc/41/53/82/1424415382.db2.gz NUCIFNCAMAQNET-GOSISDBHSA-N 0 1 376.566 3.127 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC000159101685 1424417243 /nfs/dbraw/zinc/41/72/43/1424417243.db2.gz HKVFRSJKARGZDC-UHFFFAOYSA-N 0 1 378.476 3.415 20 0 GGADMN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824323929 1424418353 /nfs/dbraw/zinc/41/83/53/1424418353.db2.gz DKWWWZNSHQPHAC-RTWAWAEBSA-N 0 1 393.491 3.355 20 0 GGADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(N2CCCC2=O)c1 ZINC000159125209 1424422383 /nfs/dbraw/zinc/42/23/83/1424422383.db2.gz JBXDSECZTNXBIO-UTKZUKDTSA-N 0 1 379.504 3.164 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000159131597 1424424260 /nfs/dbraw/zinc/42/42/60/1424424260.db2.gz AMBNNCABXBGVKM-XMSQKQJNSA-N 0 1 396.535 3.420 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@]1(C)CCCS1)N1CCCC1 ZINC000159157929 1424431110 /nfs/dbraw/zinc/43/11/10/1424431110.db2.gz SDOMFHZCADQHMV-XLIONFOSSA-N 0 1 377.554 3.417 20 0 GGADMN Cc1ccnc(N2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000159165460 1424432903 /nfs/dbraw/zinc/43/29/03/1424432903.db2.gz DDDUSZCPQMUDQN-GOSISDBHSA-N 0 1 379.426 3.134 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1cccc(F)c1 ZINC000159172468 1424434630 /nfs/dbraw/zinc/43/46/30/1424434630.db2.gz PCJCELZIQSGSDE-OTWHNJEPSA-N 0 1 389.471 3.319 20 0 GGADMN COC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000159193642 1424439551 /nfs/dbraw/zinc/43/95/51/1424439551.db2.gz YIUZGFDTEANCBM-UHFFFAOYSA-N 0 1 382.460 3.333 20 0 GGADMN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cccc2nc[nH]c21 ZINC000159217999 1424446588 /nfs/dbraw/zinc/44/65/88/1424446588.db2.gz JTFFLLCTXCAOJU-GOSISDBHSA-N 0 1 384.867 3.020 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000159221823 1424449990 /nfs/dbraw/zinc/44/99/90/1424449990.db2.gz IQDCGBAZJJLSKD-UHFFFAOYSA-N 0 1 380.448 3.305 20 0 GGADMN CC1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCN(Cc2ccccc2)CC1 ZINC000159230461 1424452654 /nfs/dbraw/zinc/45/26/54/1424452654.db2.gz BPWLNZUTTWSGFA-UHFFFAOYSA-N 0 1 386.517 3.331 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)C(=O)NCCc2ccccc2)cc(OC)c1OC ZINC000159246342 1424457380 /nfs/dbraw/zinc/45/73/80/1424457380.db2.gz JBCJBHNCACRZPG-JKSUJKDBSA-N 0 1 386.492 3.110 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCc2cscn2)CC1 ZINC000159269607 1424466415 /nfs/dbraw/zinc/46/64/15/1424466415.db2.gz KNXQNYDYEUHMEX-UHFFFAOYSA-N 0 1 393.944 3.303 20 0 GGADMN COc1ccc2c(c1)c(C(=O)NCCN1CCN(C)CC1)c(C)n2C1CCCC1 ZINC000159280475 1424471447 /nfs/dbraw/zinc/47/14/47/1424471447.db2.gz DJIUXWUKKPXKHM-UHFFFAOYSA-N 0 1 398.551 3.051 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)C3(c4ccc(C)cc4)CCOCC3)[nH]c21 ZINC000159282312 1424472089 /nfs/dbraw/zinc/47/20/89/1424472089.db2.gz OZAKIHUYRQCMQT-UHFFFAOYSA-N 0 1 393.443 3.345 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000159288425 1424474537 /nfs/dbraw/zinc/47/45/37/1424474537.db2.gz GZIGCSJAWXXUGC-UHFFFAOYSA-N 0 1 380.448 3.305 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(OC2CCCC2)c1 ZINC000159292415 1424475184 /nfs/dbraw/zinc/47/51/84/1424475184.db2.gz AUTROZJLVPZIAN-OAQYLSRUSA-N 0 1 394.515 3.157 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)C[C@@H](C)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159291233 1424475358 /nfs/dbraw/zinc/47/53/58/1424475358.db2.gz VZLDIRHILHTQIB-VQIMIIECSA-N 0 1 397.485 3.437 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cccc(OC4CCCCC4)c3)C2)CC1 ZINC000159296172 1424477215 /nfs/dbraw/zinc/47/72/15/1424477215.db2.gz PFAJGEKKSRXCEP-HXUWFJFHSA-N 0 1 385.552 3.250 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2CCN(CCOC)[C@H](CCC)C2)c1 ZINC000159298574 1424477621 /nfs/dbraw/zinc/47/76/21/1424477621.db2.gz PXJWTDRNMKSZTC-LJQANCHMSA-N 0 1 390.528 3.390 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3)cc2)C[C@H](C)O1 ZINC000159312814 1424481107 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ZINC000161336744 1424677896 /nfs/dbraw/zinc/67/78/96/1424677896.db2.gz MHYSMXADHNAUTK-KGLIPLIRSA-N 0 1 382.220 3.118 20 0 GGADMN Cc1ccc(-c2[nH]nc(NC(=O)c3ccc4c(=O)[nH]c(=S)[nH]c4c3)c2C)o1 ZINC000161391771 1424683733 /nfs/dbraw/zinc/68/37/33/1424683733.db2.gz HTVBLOKIDDFRBP-UHFFFAOYSA-N 0 1 381.417 3.064 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000161394537 1424684024 /nfs/dbraw/zinc/68/40/24/1424684024.db2.gz NVJRNDUURDYTRJ-HZPDHXFCSA-N 0 1 385.468 3.037 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3cccc(C(F)(F)F)c3=O)c2C)o1 ZINC000161398666 1424684602 /nfs/dbraw/zinc/68/46/02/1424684602.db2.gz XNGSAASGTPLBOS-UHFFFAOYSA-N 0 1 380.326 3.106 20 0 GGADMN Cc1nnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c(-c2nn[n-]n2)c1C ZINC000737523495 1424695119 /nfs/dbraw/zinc/69/51/19/1424695119.db2.gz ZDOZHUATRPLNRU-INIZCTEOSA-N 0 1 392.511 3.349 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(Cc1cccc(Br)c1C)CC2 ZINC000161493303 1424695511 /nfs/dbraw/zinc/69/55/11/1424695511.db2.gz SWRKJZCZBZTICY-UHFFFAOYSA-N 0 1 381.270 3.041 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)CCc3cccn3C)n2)cc1 ZINC000161511330 1424696644 /nfs/dbraw/zinc/69/66/44/1424696644.db2.gz JRDQNTITQLPQQD-HNNXBMFYSA-N 0 1 383.521 3.348 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)CCc3cccn3C)n2)cc1 ZINC000161511443 1424697129 /nfs/dbraw/zinc/69/71/29/1424697129.db2.gz JRDQNTITQLPQQD-OAHLLOKOSA-N 0 1 383.521 3.348 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNc1c(Cl)cccc1Cl ZINC000161527397 1424700368 /nfs/dbraw/zinc/70/03/68/1424700368.db2.gz PVZXXUODKGIQIO-UHFFFAOYSA-N 0 1 396.278 3.303 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CNC(=O)c3ccc4c(c3)CCC4)c2C)o1 ZINC000161543133 1424704801 /nfs/dbraw/zinc/70/48/01/1424704801.db2.gz KEFNGYPTUKJQLP-UHFFFAOYSA-N 0 1 378.432 3.144 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000161546226 1424706421 /nfs/dbraw/zinc/70/64/21/1424706421.db2.gz UBIRROHPEFQOCQ-OKXMYEFYSA-N 0 1 394.562 3.086 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1cccc(F)c1 ZINC000161551341 1424707557 /nfs/dbraw/zinc/70/75/57/1424707557.db2.gz JQQWHZWNTLEREJ-GOSISDBHSA-N 0 1 382.443 3.046 20 0 GGADMN O=S(=O)(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1c(F)cc(F)cc1F ZINC000161588543 1424718727 /nfs/dbraw/zinc/71/87/27/1424718727.db2.gz ZYWIJQDWIMTAIW-CYBMUJFWSA-N 0 1 399.312 3.135 20 0 GGADMN COc1ccccc1N1C[C@@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)CC1=O ZINC000161589495 1424718765 /nfs/dbraw/zinc/71/87/65/1424718765.db2.gz VFUBIPDRWIPBEZ-AWEZNQCLSA-N 0 1 394.431 3.287 20 0 GGADMN CCn1c2ccccc2n(CC(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1=O ZINC000161596700 1424720625 /nfs/dbraw/zinc/72/06/25/1424720625.db2.gz PLPHXZITVBNSNM-UHFFFAOYSA-N 0 1 379.420 3.062 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)[nH]c21 ZINC000180125047 1429748263 /nfs/dbraw/zinc/74/82/63/1429748263.db2.gz BVZYMQPIQYELQA-KBXCAEBGSA-N 0 1 385.414 3.417 20 0 GGADMN CC(C)c1ccccc1OCCC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000161632851 1424729999 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Cc1cc(=O)n(C)cc1NC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000162311481 1424836829 /nfs/dbraw/zinc/83/68/29/1424836829.db2.gz JKUFGQYJOMZZBY-UHFFFAOYSA-N 0 1 390.487 3.197 20 0 GGADMN COc1ccc(CC[C@@H]2CCCCN2CCCCS(C)(=O)=O)cc1OC ZINC000162322618 1424837668 /nfs/dbraw/zinc/83/76/68/1424837668.db2.gz HPYXLEIHBKOAAN-SFHVURJKSA-N 0 1 383.554 3.316 20 0 GGADMN COc1ccccc1OC[C@@H](C)CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000162322043 1424837840 /nfs/dbraw/zinc/83/78/40/1424837840.db2.gz YOJAMVVPRSKXBJ-BTYIYWSLSA-N 0 1 386.467 3.459 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)[nH]n2)cc1 ZINC000162337378 1424839233 /nfs/dbraw/zinc/83/92/33/1424839233.db2.gz JDEYBNONQIYKRW-UHFFFAOYSA-N 0 1 396.422 3.313 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(N4CCC(O)CC4)cc3)[nH]n2)c1 ZINC000162345412 1424840158 /nfs/dbraw/zinc/84/01/58/1424840158.db2.gz OPNAQHXNWLFXSP-UHFFFAOYSA-N 0 1 392.459 3.299 20 0 GGADMN COc1ccccc1[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccn1 ZINC000162382940 1424844625 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388.512 3.142 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@]3(CCOC3)C2)N2CCCCC2)cc1 ZINC000162433964 1424850868 /nfs/dbraw/zinc/85/08/68/1424850868.db2.gz PJLFIEXSFSIJQH-UNMCSNQZSA-N 0 1 387.524 3.044 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CC[C@]3(CCOC3)C2)N2CCCCC2)cc1 ZINC000162433830 1424851206 /nfs/dbraw/zinc/85/12/06/1424851206.db2.gz PJLFIEXSFSIJQH-IRLDBZIGSA-N 0 1 387.524 3.044 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3c[nH]nc3-c3ccccc3F)[nH]c21 ZINC000162448951 1424853435 /nfs/dbraw/zinc/85/34/35/1424853435.db2.gz SDDGGJOFWLRTEO-UHFFFAOYSA-N 0 1 379.351 3.131 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3ncc(-c4nn[n-]n4)cc3Cl)CC2)CC1 ZINC000824956589 1424854534 /nfs/dbraw/zinc/85/45/34/1424854534.db2.gz SVZVTODDYZQETI-UHFFFAOYSA-N 0 1 375.908 3.370 20 0 GGADMN CCC1(CO)CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC000162455551 1424854661 /nfs/dbraw/zinc/85/46/61/1424854661.db2.gz DPFQXGRZNPNHNE-IBGZPJMESA-N 0 1 389.540 3.026 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccccc1OC(F)(F)F ZINC000162459491 1424855218 /nfs/dbraw/zinc/85/52/18/1424855218.db2.gz CLCQBEBJVDIZOO-ZDUSSCGKSA-N 0 1 388.411 3.214 20 0 GGADMN Cc1ccc(OC(F)F)c([C@@H](C)NCCNS(=O)(=O)c2ccccc2)c1 ZINC000162464240 1424855696 /nfs/dbraw/zinc/85/56/96/1424855696.db2.gz QPUUHCOTNRUTQO-CQSZACIVSA-N 0 1 384.448 3.226 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnc(-c4ccccn4)s3)[nH]c21 ZINC000162474280 1424856824 /nfs/dbraw/zinc/85/68/24/1424856824.db2.gz UDJORMHTABUWDO-UHFFFAOYSA-N 0 1 379.401 3.120 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(NC(=O)c4ccsc4)CC3)c[nH]c12 ZINC000162532100 1424863122 /nfs/dbraw/zinc/86/31/22/1424863122.db2.gz VXYHZBNMPWUCQR-UHFFFAOYSA-N 0 1 395.484 3.345 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000162538974 1424864074 /nfs/dbraw/zinc/86/40/74/1424864074.db2.gz ZMIZUVVRKDLHRJ-IBGZPJMESA-N 0 1 399.466 3.252 20 0 GGADMN CC(C)(O)[C@H]1CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000162542612 1424864672 /nfs/dbraw/zinc/86/46/72/1424864672.db2.gz ZHMDQUFAEXUDHP-MAUKXSAKSA-N 0 1 387.505 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Cc1c([C@@H](C)NCCCOC[C@@H]2CCCO2)nnn1-c1cccc(Cl)c1 ZINC000163461179 1425002996 /nfs/dbraw/zinc/00/29/96/1425002996.db2.gz IYLROWHIKYIVJO-KDOFPFPSSA-N 0 1 378.904 3.465 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000163477898 1425005225 /nfs/dbraw/zinc/00/52/25/1425005225.db2.gz RWKGWGYBMQELSN-UONOGXRCSA-N 0 1 394.924 3.099 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@H]2CCCO2)nnn1-c1ccc(Cl)cc1 ZINC000163507935 1425010129 /nfs/dbraw/zinc/01/01/29/1425010129.db2.gz LHDPSACZBPCCJD-KBXCAEBGSA-N 0 1 378.904 3.465 20 0 GGADMN Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000163515377 1425010738 /nfs/dbraw/zinc/01/07/38/1425010738.db2.gz XJUKBXVOFNAERQ-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN CC(C)[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(F)cc1 ZINC000820121621 1425012221 /nfs/dbraw/zinc/01/22/21/1425012221.db2.gz SGGIZMHTHGLVJZ-UHFFFAOYSA-N 0 1 393.426 3.466 20 0 GGADMN CC(C)[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(F)cc1 ZINC000820121621 1425012226 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AGVOKNDHUCKTAJ-HNNXBMFYSA-N 0 1 383.402 3.240 20 0 GGADMN CCC[C@H]1CN(C(=O)NCc2csc(-c3ccco3)n2)CCN1CCOC ZINC000163546340 1425015624 /nfs/dbraw/zinc/01/56/24/1425015624.db2.gz GMVBAYIWGOFTIJ-INIZCTEOSA-N 0 1 392.525 3.045 20 0 GGADMN COc1ccc([C@H](NC(=O)c2ccc3[nH]nnc3c2)c2ccccc2OC)cc1 ZINC000163560910 1425018486 /nfs/dbraw/zinc/01/84/86/1425018486.db2.gz LJWLDAIUFDFPQJ-NRFANRHFSA-N 0 1 388.427 3.495 20 0 GGADMN Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000826299103 1425024209 /nfs/dbraw/zinc/02/42/09/1425024209.db2.gz QYLATTKPZGOSJN-ZDUSSCGKSA-N 0 1 382.443 3.130 20 0 GGADMN COc1ccc([C@@H](NC(=O)c2[nH]nc3c2CCC3)c2ccccc2OC)cc1 ZINC000163629681 1425026369 /nfs/dbraw/zinc/02/63/69/1425026369.db2.gz TYWUEWLICYAAFH-HXUWFJFHSA-N 0 1 377.444 3.435 20 0 GGADMN Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000163644817 1425028336 /nfs/dbraw/zinc/02/83/36/1425028336.db2.gz NCNRILBFGNRJHH-UHFFFAOYSA-N 0 1 377.404 3.217 20 0 GGADMN 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GGADMN COc1ccccc1OCC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826220976 1425046979 /nfs/dbraw/zinc/04/69/79/1425046979.db2.gz IZOJKQRQKMVSEQ-UHFFFAOYSA-N 0 1 377.448 3.043 20 0 GGADMN CCCc1[nH]ncc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000163832366 1425048869 /nfs/dbraw/zinc/04/88/69/1425048869.db2.gz PMHJJGKLWLPNHJ-UHFFFAOYSA-N 0 1 390.509 3.179 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N(CC)CC)cc1F ZINC000163840787 1425049526 /nfs/dbraw/zinc/04/95/26/1425049526.db2.gz PMHWAMIQCLPJKG-QGZVFWFLSA-N 0 1 375.444 3.119 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC000826237645 1425069457 /nfs/dbraw/zinc/06/94/57/1425069457.db2.gz HFDMMYHBOOIMOU-OAHLLOKOSA-N 0 1 389.935 3.316 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2ccc(-n3ccnn3)cc2)CC1 ZINC000180162556 1429774382 /nfs/dbraw/zinc/77/43/82/1429774382.db2.gz GNRBLGIOCVYUKV-UHFFFAOYSA-N 0 1 382.899 3.285 20 0 GGADMN COc1ccc([C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)cc1Cn1cccn1 ZINC000164040630 1425071009 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C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(-n2cncn2)cc1 ZINC000824547582 1425140697 /nfs/dbraw/zinc/14/06/97/1425140697.db2.gz QDQKFDWJXPMMCT-VLIAUNLRSA-N 0 1 386.463 3.176 20 0 GGADMN CCC[C@H](C)N(C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000164818673 1425144560 /nfs/dbraw/zinc/14/45/60/1425144560.db2.gz QYCHSVNRBSOLSU-AWEZNQCLSA-N 0 1 391.537 3.045 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000826029466 1425147632 /nfs/dbraw/zinc/14/76/32/1425147632.db2.gz SLGHRWDDTAQAJQ-DLBZAZTESA-N 0 1 397.870 3.087 20 0 GGADMN O=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000164867849 1425148036 /nfs/dbraw/zinc/14/80/36/1425148036.db2.gz MPQYSXHJRXLADR-INIZCTEOSA-N 0 1 380.492 3.189 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC000164937623 1425152769 /nfs/dbraw/zinc/15/27/69/1425152769.db2.gz HDIYOEAFMISCSG-FQEVSTJZSA-N 0 1 392.931 3.126 20 0 GGADMN CC(C)[C@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000164962066 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c1ccc(OC[C@@H]2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826522987 1425171148 /nfs/dbraw/zinc/17/11/48/1425171148.db2.gz WCZSWAAIDWWXLX-OAHLLOKOSA-N 0 1 376.464 3.046 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000165436541 1425178234 /nfs/dbraw/zinc/17/82/34/1425178234.db2.gz NSIAXIQSCVQTDJ-NEPJUHHUSA-N 0 1 379.457 3.132 20 0 GGADMN O=S(=O)(NN=c1nc[nH]c2ccsc21)c1cc(Cl)sc1Cl ZINC000165445037 1425179675 /nfs/dbraw/zinc/17/96/75/1425179675.db2.gz XITBRIQCGZJQNG-UHFFFAOYSA-N 0 1 381.291 3.365 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc3oc(N(C)C)nc3c2)N(C)C)c1 ZINC000165471989 1425181158 /nfs/dbraw/zinc/18/11/58/1425181158.db2.gz ZYZVAKBTNBPXAK-SFHVURJKSA-N 0 1 397.479 3.327 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCCOc2ccccc2)nc1 ZINC000165555515 1425185043 /nfs/dbraw/zinc/18/50/43/1425185043.db2.gz GTGLIZCOHSFLGJ-FQEVSTJZSA-N 0 1 378.476 3.440 20 0 GGADMN CCOc1ccc(NC(=O)CN2CCN(C[C@@H](C)c3ccccc3)CC2)cc1 ZINC000165662489 1425191049 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O=C1CCc2cc(OC[C@@H](O)CNCc3c(Cl)cccc3Cl)ccc2N1 ZINC000166313042 1425211219 /nfs/dbraw/zinc/21/12/19/1425211219.db2.gz QEHSLWNONAQZFX-ZDUSSCGKSA-N 0 1 395.286 3.408 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166584984 1425214705 /nfs/dbraw/zinc/21/47/05/1425214705.db2.gz LIOMGSZJPPVFOH-ONGXBYRLSA-N 0 1 388.533 3.026 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000167822250 1425231943 /nfs/dbraw/zinc/23/19/43/1425231943.db2.gz YKYIMQGRIVFILQ-RTBURBONSA-N 0 1 394.581 3.176 20 0 GGADMN COc1ccccc1N1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)C1=O ZINC000168551759 1425238497 /nfs/dbraw/zinc/23/84/97/1425238497.db2.gz VWOCMAJAXGQFEF-CQSZACIVSA-N 0 1 380.366 3.331 20 0 GGADMN CCC(CC)[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736336661 1425248305 /nfs/dbraw/zinc/24/83/05/1425248305.db2.gz FUNXPSIKNHXGQK-OAQYLSRUSA-N 0 1 395.507 3.332 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000820116239 1425252276 /nfs/dbraw/zinc/25/22/76/1425252276.db2.gz FYQZDHUBIXVLKW-LJQANCHMSA-N 0 1 396.539 3.258 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000820116239 1425252280 /nfs/dbraw/zinc/25/22/80/1425252280.db2.gz FYQZDHUBIXVLKW-LJQANCHMSA-N 0 1 396.539 3.258 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000820116239 1425252285 /nfs/dbraw/zinc/25/22/85/1425252285.db2.gz FYQZDHUBIXVLKW-LJQANCHMSA-N 0 1 396.539 3.258 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547190 1425255704 /nfs/dbraw/zinc/25/57/04/1425255704.db2.gz NDTQJQYDSPTGAV-RHSMWYFYSA-N 0 1 386.500 3.307 20 0 GGADMN COc1ccc(/C=C/C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000170531900 1425264456 /nfs/dbraw/zinc/26/44/56/1425264456.db2.gz LIPBHXYYLIIDDW-YRNVUSSQSA-N 0 1 395.503 3.103 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C)cn3)CC2)N2CCCC2)o1 ZINC000170633670 1425267587 /nfs/dbraw/zinc/26/75/87/1425267587.db2.gz KWGWCOPFDBDNOQ-FQEVSTJZSA-N 0 1 396.535 3.461 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C)cn3)CC2)N2CCCC2)o1 ZINC000170633672 1425267992 /nfs/dbraw/zinc/26/79/92/1425267992.db2.gz KWGWCOPFDBDNOQ-HXUWFJFHSA-N 0 1 396.535 3.461 20 0 GGADMN CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824304626 1425269476 /nfs/dbraw/zinc/26/94/76/1425269476.db2.gz DFZCIGAXCNKLIV-SFHVURJKSA-N 0 1 383.427 3.178 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000170647288 1425274323 /nfs/dbraw/zinc/27/43/23/1425274323.db2.gz LNRRRYXXNAGZBO-GOSISDBHSA-N 0 1 387.524 3.024 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170647710 1425274588 /nfs/dbraw/zinc/27/45/88/1425274588.db2.gz TUSJPZLRKHAYDF-DLBZAZTESA-N 0 1 375.513 3.477 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000170648083 1425274883 /nfs/dbraw/zinc/27/48/83/1425274883.db2.gz GONQQRPLXHTLQT-ZDUSSCGKSA-N 0 1 382.888 3.458 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648089 1425274909 /nfs/dbraw/zinc/27/49/09/1425274909.db2.gz JIZWAQZGGNGRRD-IEBWSBKVSA-N 0 1 389.540 3.443 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648090 1425274958 /nfs/dbraw/zinc/27/49/58/1425274958.db2.gz JIZWAQZGGNGRRD-MJGOQNOKSA-N 0 1 389.540 3.443 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000170648084 1425275046 /nfs/dbraw/zinc/27/50/46/1425275046.db2.gz GONQQRPLXHTLQT-CYBMUJFWSA-N 0 1 382.888 3.458 20 0 GGADMN C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647988 1425275178 /nfs/dbraw/zinc/27/51/78/1425275178.db2.gz SEWUAHCDBKBTHD-SJLPKXTDSA-N 0 1 379.545 3.228 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647905 1425275343 /nfs/dbraw/zinc/27/53/43/1425275343.db2.gz IEIOCHRSQMLOHA-LSDHHAIUSA-N 0 1 395.931 3.191 20 0 GGADMN CCC[C@@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170648143 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UUYAEJSJTSGNSY-HXUWFJFHSA-N 0 1 382.508 3.111 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401498 1425292526 /nfs/dbraw/zinc/29/25/26/1425292526.db2.gz IRXWPSMABHZCRS-HOTGVXAUSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401498 1425292533 /nfs/dbraw/zinc/29/25/33/1425292533.db2.gz IRXWPSMABHZCRS-HOTGVXAUSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401498 1425292536 /nfs/dbraw/zinc/29/25/36/1425292536.db2.gz IRXWPSMABHZCRS-HOTGVXAUSA-N 0 1 399.543 3.128 20 0 GGADMN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)NC1CCN(Cc2ccccn2)CC1 ZINC000170679206 1425293539 /nfs/dbraw/zinc/29/35/39/1425293539.db2.gz SVUIKPGWQCRPRE-FCHUYYIVSA-N 0 1 394.519 3.266 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170680462 1425294830 /nfs/dbraw/zinc/29/48/30/1425294830.db2.gz HEMVMLTZZFVUCQ-YADHBBJMSA-N 0 1 379.504 3.264 20 0 GGADMN NC(CCCc1ccccc1)=[NH+]OCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737763298 1425296328 /nfs/dbraw/zinc/29/63/28/1425296328.db2.gz AXFLCYRUFFLDHQ-UHFFFAOYSA-N 0 1 380.452 3.157 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826523300 1425298086 /nfs/dbraw/zinc/29/80/86/1425298086.db2.gz IDTZHKSMQHWLQD-TVPLGVNVSA-N 0 1 376.464 3.229 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N(Cc1ccco1)Cc1ccco1 ZINC000170689622 1425301574 /nfs/dbraw/zinc/30/15/74/1425301574.db2.gz WASYJAGTWQRHFD-UHFFFAOYSA-N 0 1 392.415 3.098 20 0 GGADMN Cc1nc(CN2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)cs1 ZINC000170693242 1425303146 /nfs/dbraw/zinc/30/31/46/1425303146.db2.gz QGMWVZLLDKNLLE-KRWDZBQOSA-N 0 1 392.594 3.144 20 0 GGADMN Nc1c(Cl)cc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1Cl ZINC000170694467 1425303968 /nfs/dbraw/zinc/30/39/68/1425303968.db2.gz XPLUTQDATOTLDC-UHFFFAOYSA-N 0 1 392.246 3.211 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000170694414 1425304169 /nfs/dbraw/zinc/30/41/69/1425304169.db2.gz COORGFMGEORCIR-UHFFFAOYSA-N 0 1 390.365 3.018 20 0 GGADMN O=C(N[C@@H]1CN2CCC1CC2)c1cc(Br)sc1Br ZINC000232487082 1433373507 /nfs/dbraw/zinc/37/35/07/1433373507.db2.gz QFVALYRDZVPWDL-SECBINFHSA-N 0 1 394.132 3.097 20 0 GGADMN CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000170701233 1425306616 /nfs/dbraw/zinc/30/66/16/1425306616.db2.gz BOMRGMMZLNLATN-GOSISDBHSA-N 0 1 395.503 3.067 20 0 GGADMN CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000824000190 1425311290 /nfs/dbraw/zinc/31/12/90/1425311290.db2.gz YTSRRHDRQBPBAI-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(=O)Nc1ccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000824000190 1425311298 /nfs/dbraw/zinc/31/12/98/1425311298.db2.gz YTSRRHDRQBPBAI-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000824000190 1425311301 /nfs/dbraw/zinc/31/13/01/1425311301.db2.gz YTSRRHDRQBPBAI-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CN1CCCC[C@H]1CNC(=O)c1cc(Br)sc1Br ZINC000234380109 1433373700 /nfs/dbraw/zinc/37/37/00/1433373700.db2.gz JWZROBSKOXPSKO-QMMMGPOBSA-N 0 1 396.148 3.487 20 0 GGADMN Cc1nc2n(n1)C[C@H](NCc1c(C)nn(-c3cccc(Cl)c3)c1Cl)CC2 ZINC000170715731 1425314315 /nfs/dbraw/zinc/31/43/15/1425314315.db2.gz IKLVYWVNWACMJC-CQSZACIVSA-N 0 1 391.306 3.492 20 0 GGADMN C[C@@H]1CN(Cc2cc(Br)c([O-])c(Br)c2)C[C@H](C)[N@@H+]1C ZINC000235679640 1433373765 /nfs/dbraw/zinc/37/37/65/1433373765.db2.gz TTXMQCFKONPXEI-AOOOYVTPSA-N 0 1 392.135 3.442 20 0 GGADMN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000170723554 1425317629 /nfs/dbraw/zinc/31/76/29/1425317629.db2.gz QZYMXSCMQBTHRG-SFHVURJKSA-N 0 1 393.503 3.210 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000170724134 1425318094 /nfs/dbraw/zinc/31/80/94/1425318094.db2.gz HUCGRYZJWVBIRH-RHSMWYFYSA-N 0 1 387.484 3.214 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)N2CCCC2)o1 ZINC000170724886 1425319499 /nfs/dbraw/zinc/31/94/99/1425319499.db2.gz BHDLBVMNDDMMSG-QAPCUYQASA-N 0 1 399.495 3.276 20 0 GGADMN C[C@H](CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)NC(=O)C1CCCC1 ZINC000170726306 1425320100 /nfs/dbraw/zinc/32/01/00/1425320100.db2.gz JKQKVCLWYLHCDP-LLVKDONJSA-N 0 1 375.860 3.149 20 0 GGADMN NC(=O)CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000170732661 1425321902 /nfs/dbraw/zinc/32/19/02/1425321902.db2.gz MRDZCMYQCSVNPP-OPAMFIHVSA-N 0 1 389.515 3.151 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000170738076 1425323200 /nfs/dbraw/zinc/32/32/00/1425323200.db2.gz VDMZWTCHICGXDO-SFHVURJKSA-N 0 1 377.573 3.458 20 0 GGADMN Cc1csc(CCCCNC(=O)NC2CCN(Cc3ccncc3)CC2)n1 ZINC000170742028 1425323878 /nfs/dbraw/zinc/32/38/78/1425323878.db2.gz KDCVJXBPSAHIHD-UHFFFAOYSA-N 0 1 387.553 3.133 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc([C@H](C)O)cc1)N1CCCC1 ZINC000170748944 1425326417 /nfs/dbraw/zinc/32/64/17/1425326417.db2.gz CJSFJFGAJJMPBU-LAUBAEHRSA-N 0 1 397.519 3.385 20 0 GGADMN Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000170751878 1425327783 /nfs/dbraw/zinc/32/77/83/1425327783.db2.gz XEDQKAZFALWNEN-QUCCMNQESA-N 0 1 395.503 3.297 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)COc1ccc(C=O)cc1 ZINC000170758325 1425329415 /nfs/dbraw/zinc/32/94/15/1425329415.db2.gz MRRBTSLJTHUHRC-UHFFFAOYSA-N 0 1 384.501 3.374 20 0 GGADMN O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(-c2ccccc2)n[nH]1 ZINC000170766915 1425332096 /nfs/dbraw/zinc/33/20/96/1425332096.db2.gz OMEZHBLXHIIFIQ-UHFFFAOYSA-N 0 1 379.445 3.246 20 0 GGADMN CCC[C@@H](NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000170768426 1425332654 /nfs/dbraw/zinc/33/26/54/1425332654.db2.gz JJIKIKSAMDXJES-GOSISDBHSA-N 0 1 375.419 3.151 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)N3CCC[C@H](C)C3)C2)cc1 ZINC000170779895 1425339989 /nfs/dbraw/zinc/33/99/89/1425339989.db2.gz BWBJEHVORMVWMY-RBUKOAKNSA-N 0 1 386.540 3.087 20 0 GGADMN O[C@@](CNCc1cnn(Cc2ccccc2)c1)(c1ccccc1)C(F)(F)F ZINC000170790821 1425344264 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FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000822727899 1425361119 /nfs/dbraw/zinc/36/11/19/1425361119.db2.gz BCIIJIZOYMXXGD-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN CCc1c(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)[nH]nc1-c1ccncc1 ZINC000170851382 1425369597 /nfs/dbraw/zinc/36/95/97/1425369597.db2.gz IXKLNOJCHQFVOO-ZDUSSCGKSA-N 0 1 381.402 3.247 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc3nccn3c2)cc1 ZINC000170869494 1425374701 /nfs/dbraw/zinc/37/47/01/1425374701.db2.gz HLMNXYICJBMXDZ-UHFFFAOYSA-N 0 1 391.475 3.401 20 0 GGADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170871093 1425375074 /nfs/dbraw/zinc/37/50/74/1425375074.db2.gz QETQQURCZDEUTB-CYBMUJFWSA-N 0 1 390.413 3.265 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1F ZINC000170876141 1425377503 /nfs/dbraw/zinc/37/75/03/1425377503.db2.gz NLNLUMPSNSKOGG-GOSISDBHSA-N 0 1 377.435 3.118 20 0 GGADMN CC1(C)CN(C(=O)C[C@@H]2c3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC000170902112 1425386049 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3.005 20 0 GGADMN CN(C[C@@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1)C(=O)OC(C)(C)C ZINC000170918377 1425391300 /nfs/dbraw/zinc/39/13/00/1425391300.db2.gz SWZLKRWOKSDIOS-OTWHNJEPSA-N 0 1 393.572 3.356 20 0 GGADMN CN(C[C@H]1CCN(CC(=O)NCc2cccc(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000170918407 1425391897 /nfs/dbraw/zinc/39/18/97/1425391897.db2.gz IBJYYWORQLJVBA-MRXNPFEDSA-N 0 1 395.931 3.145 20 0 GGADMN CN(C[C@H]1CCN(CC(=O)N(C2CC2)C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000170919399 1425392397 /nfs/dbraw/zinc/39/23/97/1425392397.db2.gz BNYKILRYFQTRFK-MRXNPFEDSA-N 0 1 379.545 3.109 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170923165 1425394665 /nfs/dbraw/zinc/39/46/65/1425394665.db2.gz BQAMTRGRXRLNOS-IEBWSBKVSA-N 0 1 389.540 3.395 20 0 GGADMN Cc1cccc2c(N[C@H](C)C[C@@H](O)c3cccs3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826304299 1425397147 /nfs/dbraw/zinc/39/71/47/1425397147.db2.gz GFPBCIPGYWOYEX-IUODEOHRSA-N 0 1 380.477 3.131 20 0 GGADMN O=S(=O)([N-]Cc1ccccc1C[NH+]1CCCC1)c1cc(F)c(F)cc1F ZINC000170939474 1425401500 /nfs/dbraw/zinc/40/15/00/1425401500.db2.gz WRSNCYHPWBPYRW-UHFFFAOYSA-N 0 1 384.423 3.178 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCCc2ccccc2C1 ZINC000170948334 1425408124 /nfs/dbraw/zinc/40/81/24/1425408124.db2.gz DMQWLYMWGBCJBE-UHFFFAOYSA-N 0 1 379.485 3.050 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000170949178 1425408225 /nfs/dbraw/zinc/40/82/25/1425408225.db2.gz VUXHINBYNRHYTF-GFCCVEGCSA-N 0 1 376.432 3.079 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2-c2nnn[n-]2)cc1OC ZINC000821786894 1425408660 /nfs/dbraw/zinc/40/86/60/1425408660.db2.gz KZWKVOKKTKJJHL-KRWDZBQOSA-N 0 1 383.427 3.360 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(C2CC2)on1 ZINC000170950315 1425410754 /nfs/dbraw/zinc/41/07/54/1425410754.db2.gz KBCPKDHSJBIMBE-UHFFFAOYSA-N 0 1 388.899 3.148 20 0 GGADMN O=C(CCc1cscn1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000170950267 1425410878 /nfs/dbraw/zinc/41/08/78/1425410878.db2.gz ILTBAUVBTLKMBJ-UHFFFAOYSA-N 0 1 392.956 3.058 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H](C)c3cc4ccccc4s3)C2)CC1 ZINC000170956147 1425415003 /nfs/dbraw/zinc/41/50/03/1425415003.db2.gz FYRWWIGADNJFKD-AEFFLSMTSA-N 0 1 386.565 3.384 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3cc4ccccc4s3)C2)CC1 ZINC000170956145 1425415075 /nfs/dbraw/zinc/41/50/75/1425415075.db2.gz FYRWWIGADNJFKD-SJLPKXTDSA-N 0 1 386.565 3.384 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)c3cc4ccccc4s3)C2)CC1 ZINC000170956141 1425415123 /nfs/dbraw/zinc/41/51/23/1425415123.db2.gz FYRWWIGADNJFKD-FUHWJXTLSA-N 0 1 386.565 3.384 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000170971599 1425421562 /nfs/dbraw/zinc/42/15/62/1425421562.db2.gz RSNWXJDIVZSTDC-IBGZPJMESA-N 0 1 384.451 3.061 20 0 GGADMN COc1ccc(OC)c(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000170971088 1425421644 /nfs/dbraw/zinc/42/16/44/1425421644.db2.gz YYTUDJICUIRUSC-UHFFFAOYSA-N 0 1 388.439 3.077 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1C ZINC000170971018 1425421714 /nfs/dbraw/zinc/42/17/14/1425421714.db2.gz FPNXPBUMMUBQBI-UHFFFAOYSA-N 0 1 399.466 3.386 20 0 GGADMN COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826220178 1425421870 /nfs/dbraw/zinc/42/18/70/1425421870.db2.gz FKUKFFSTOUXFBZ-KDOFPFPSSA-N 0 1 379.464 3.310 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2cc(F)c(F)c(F)c2)cc1OC ZINC000170992743 1425426128 /nfs/dbraw/zinc/42/61/28/1425426128.db2.gz ORLJNJZSVMNLIS-GFCCVEGCSA-N 0 1 396.409 3.478 20 0 GGADMN CC1CCN([C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c2cccs2)CC1 ZINC000824953119 1425427231 /nfs/dbraw/zinc/42/72/31/1425427231.db2.gz CCSROYRXACBLDH-SFHVURJKSA-N 0 1 382.537 3.491 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCn2c(C)nc3ccccc32)N2CCCC2)o1 ZINC000171002375 1425431676 /nfs/dbraw/zinc/43/16/76/1425431676.db2.gz MQSIWNFIXJWJML-FQEVSTJZSA-N 0 1 395.507 3.382 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@@H](C)c2cccnc2)CC1 ZINC000171004553 1425432342 /nfs/dbraw/zinc/43/23/42/1425432342.db2.gz QBZYDHWZXGECFS-DLBZAZTESA-N 0 1 399.514 3.484 20 0 GGADMN C[C@@H](NC(=O)NCc1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171008067 1425433990 /nfs/dbraw/zinc/43/39/90/1425433990.db2.gz XVZJHEIPVYKETH-CQSZACIVSA-N 0 1 376.501 3.199 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)o2)c1 ZINC000819718610 1425444584 /nfs/dbraw/zinc/44/45/84/1425444584.db2.gz LGSFXAGBTINHTJ-FQEVSTJZSA-N 0 1 377.452 3.239 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)nc2)CC1 ZINC000171031549 1425448113 /nfs/dbraw/zinc/44/81/13/1425448113.db2.gz WOLZVNZEOSSGTA-UHFFFAOYSA-N 0 1 383.883 3.149 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Oc3cccc(NC(=O)c4cnn(C)c4)c3)[nH]n2)o1 ZINC000171040241 1425450437 /nfs/dbraw/zinc/45/04/37/1425450437.db2.gz SDYPLFQLIBCVMK-UHFFFAOYSA-N 0 1 391.387 3.183 20 0 GGADMN O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171043120 1425452106 /nfs/dbraw/zinc/45/21/06/1425452106.db2.gz GCORIQTYWLWPPF-AWEZNQCLSA-N 0 1 391.566 3.146 20 0 GGADMN OC1CC[NH+](Cc2ccc(CNc3c(Cl)cccc3-c3nnn[n-]3)cc2)CC1 ZINC000823707282 1425454335 /nfs/dbraw/zinc/45/43/35/1425454335.db2.gz YNDGCCWXSTYZQM-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000737504440 1425459471 /nfs/dbraw/zinc/45/94/71/1425459471.db2.gz YSCDEFLOXQJPDZ-UHFFFAOYSA-N 0 1 379.855 3.304 20 0 GGADMN COC(=O)[C@H]1CCCN(CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000171060127 1425461121 /nfs/dbraw/zinc/46/11/21/1425461121.db2.gz PMQPENQMJUQYCD-ICSRJNTNSA-N 0 1 388.508 3.024 20 0 GGADMN CC(C)c1nc(CCNC(=O)NC2CCN(Cc3ccncc3)CC2)cs1 ZINC000171064773 1425464174 /nfs/dbraw/zinc/46/41/74/1425464174.db2.gz IOVDIIPMJYITBY-UHFFFAOYSA-N 0 1 387.553 3.168 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824572147 1425471921 /nfs/dbraw/zinc/47/19/21/1425471921.db2.gz TUXTUNUWRYDAGP-JDNHERCYSA-N 0 1 379.798 3.183 20 0 GGADMN CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736571978 1425475537 /nfs/dbraw/zinc/47/55/37/1425475537.db2.gz UEMPOPBFCUFRMU-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736571978 1425475545 /nfs/dbraw/zinc/47/55/45/1425475545.db2.gz UEMPOPBFCUFRMU-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)cc1 ZINC000821778182 1425477726 /nfs/dbraw/zinc/47/77/26/1425477726.db2.gz WGMVCRCJASEBID-KKSFZXQISA-N 0 1 392.507 3.363 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)cc2)CC1 ZINC000171092099 1425478119 /nfs/dbraw/zinc/47/81/19/1425478119.db2.gz KIRXCXXSKLZZPG-XZOQPEGZSA-N 0 1 393.531 3.084 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)cc2)CC1 ZINC000171092108 1425478369 /nfs/dbraw/zinc/47/83/69/1425478369.db2.gz KIRXCXXSKLZZPG-DHIUTWEWSA-N 0 1 393.531 3.084 20 0 GGADMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000171101887 1425483311 /nfs/dbraw/zinc/48/33/11/1425483311.db2.gz DFMXLIXABHJNOH-HXUWFJFHSA-N 0 1 383.467 3.306 20 0 GGADMN COCc1cccc(S(=O)(=O)NC2CCN(Cc3ccccc3C)CC2)c1 ZINC000171103879 1425484552 /nfs/dbraw/zinc/48/45/52/1425484552.db2.gz HAEFSHNXJCSDQG-UHFFFAOYSA-N 0 1 388.533 3.084 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCc1ccc(OC)c(F)c1)c1ccco1 ZINC000171106154 1425486156 /nfs/dbraw/zinc/48/61/56/1425486156.db2.gz QQWLDKGNCYIPRW-QGZVFWFLSA-N 0 1 377.460 3.352 20 0 GGADMN C[C@H](NCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000171119621 1425492304 /nfs/dbraw/zinc/49/23/04/1425492304.db2.gz DYOZYDFZKOHFGH-AWEZNQCLSA-N 0 1 379.476 3.021 20 0 GGADMN COc1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1O ZINC000171134936 1425499300 /nfs/dbraw/zinc/49/93/00/1425499300.db2.gz KGEMIUCPYIBXEY-UHFFFAOYSA-N 0 1 395.459 3.252 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000171136062 1425500457 /nfs/dbraw/zinc/50/04/57/1425500457.db2.gz CKIGEKWIAWMNBD-CYBMUJFWSA-N 0 1 392.956 3.138 20 0 GGADMN O=C(CN1CCC[C@@H](C2OCCO2)C1)Nc1ccccc1Cc1ccccc1 ZINC000171144264 1425506108 /nfs/dbraw/zinc/50/61/08/1425506108.db2.gz LHOZHEYZOOMVQH-HXUWFJFHSA-N 0 1 380.488 3.301 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN(CC(C)(C)O)CC1 ZINC000171150599 1425510280 /nfs/dbraw/zinc/51/02/80/1425510280.db2.gz HSSIKJARMAKGKG-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@@H]1CCCN1CC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820717524 1425510439 /nfs/dbraw/zinc/51/04/39/1425510439.db2.gz RJFSCJFQAFRKCS-QGZVFWFLSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@@H]1CCC[N@@H+]1CCNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820717524 1425510441 /nfs/dbraw/zinc/51/04/41/1425510441.db2.gz RJFSCJFQAFRKCS-QGZVFWFLSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@@H]1CCC[N@H+]1CCNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820717524 1425510444 /nfs/dbraw/zinc/51/04/44/1425510444.db2.gz RJFSCJFQAFRKCS-QGZVFWFLSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@@H]1CCC[N@@H+]1CCNCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820717524 1425510448 /nfs/dbraw/zinc/51/04/48/1425510448.db2.gz RJFSCJFQAFRKCS-QGZVFWFLSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@@H]1CCC[N@H+]1CCNCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820717524 1425510449 /nfs/dbraw/zinc/51/04/49/1425510449.db2.gz RJFSCJFQAFRKCS-QGZVFWFLSA-N 0 1 392.507 3.020 20 0 GGADMN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735758261 1425511319 /nfs/dbraw/zinc/51/13/19/1425511319.db2.gz YZEIRYRWSKWCHI-HXUWFJFHSA-N 0 1 388.516 3.286 20 0 GGADMN CC(C)c1ccc([C@@H](NC(=O)CN2CCN(CC(C)(C)O)CC2)C(C)C)cc1 ZINC000171153449 1425512195 /nfs/dbraw/zinc/51/21/95/1425512195.db2.gz OINFDVDADLFMMV-QFIPXVFZSA-N 0 1 389.584 3.012 20 0 GGADMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c(C)c1C ZINC000171156226 1425514197 /nfs/dbraw/zinc/51/41/97/1425514197.db2.gz WVUKYVIXOCPYMU-QGZVFWFLSA-N 0 1 377.510 3.263 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)N2CCCC2)o1 ZINC000171158429 1425516410 /nfs/dbraw/zinc/51/64/10/1425516410.db2.gz VHBDHTJNQUMMMB-SFHVURJKSA-N 0 1 380.452 3.127 20 0 GGADMN O=C(Nc1ccc(-n2ccnn2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000171159787 1425516896 /nfs/dbraw/zinc/51/68/96/1425516896.db2.gz TZYBVQPGTJQIMV-UHFFFAOYSA-N 0 1 394.454 3.193 20 0 GGADMN CN(C)C(=O)c1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000171161350 1425518256 /nfs/dbraw/zinc/51/82/56/1425518256.db2.gz UXVJKJZZBJWJOM-GOSISDBHSA-N 0 1 378.432 3.369 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171165573 1425520955 /nfs/dbraw/zinc/52/09/55/1425520955.db2.gz PDTCXOFELFAPCR-AEFFLSMTSA-N 0 1 396.510 3.278 20 0 GGADMN FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826367241 1425522610 /nfs/dbraw/zinc/52/26/10/1425522610.db2.gz QQYBVWZTDHKLAJ-NSHDSACASA-N 0 1 390.207 3.404 20 0 GGADMN FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826367241 1425522615 /nfs/dbraw/zinc/52/26/15/1425522615.db2.gz QQYBVWZTDHKLAJ-NSHDSACASA-N 0 1 390.207 3.404 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)n(-c2ccccn2)n1 ZINC000171170479 1425524839 /nfs/dbraw/zinc/52/48/39/1425524839.db2.gz PCMNYQPEKGICOO-KRWDZBQOSA-N 0 1 394.479 3.436 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000737044726 1425525071 /nfs/dbraw/zinc/52/50/71/1425525071.db2.gz DQTNSIDHMAMACA-UHFFFAOYSA-N 0 1 385.493 3.238 20 0 GGADMN COc1ccccc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171175420 1425526826 /nfs/dbraw/zinc/52/68/26/1425526826.db2.gz NRKRLFQFCJGQIA-OAHLLOKOSA-N 0 1 386.471 3.469 20 0 GGADMN CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825291034 1425527446 /nfs/dbraw/zinc/52/74/46/1425527446.db2.gz LSDWVGQKTZOFMQ-CQSZACIVSA-N 0 1 396.470 3.387 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSC[C@H]2CCCCO2)CC1 ZINC000171183681 1425529174 /nfs/dbraw/zinc/52/91/74/1425529174.db2.gz LOSSZMZTALZTTJ-MRXNPFEDSA-N 0 1 397.972 3.333 20 0 GGADMN C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000824426764 1425530493 /nfs/dbraw/zinc/53/04/93/1425530493.db2.gz HPVMQLTYHONBTG-CQSZACIVSA-N 0 1 391.454 3.300 20 0 GGADMN COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000171194859 1425533127 /nfs/dbraw/zinc/53/31/27/1425533127.db2.gz HJRAOWRWHJHEAH-SFHVURJKSA-N 0 1 379.464 3.413 20 0 GGADMN CCOc1ccc([C@H](CNC(=O)CN(C)C)c2c[nH]c3ccccc32)cc1OC ZINC000171194713 1425533175 /nfs/dbraw/zinc/53/31/75/1425533175.db2.gz XYHBAAKGQZADDG-SFHVURJKSA-N 0 1 395.503 3.385 20 0 GGADMN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000171195392 1425534182 /nfs/dbraw/zinc/53/41/82/1425534182.db2.gz DDOASEWHMZDECW-LPHOPBHVSA-N 0 1 382.508 3.368 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(CNC(N)=O)cc4)C3)[nH]c2c1 ZINC000171197195 1425534834 /nfs/dbraw/zinc/53/48/34/1425534834.db2.gz NOCDMIYQGAQAQU-QGZVFWFLSA-N 0 1 391.475 3.059 20 0 GGADMN C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000825000493 1425541975 /nfs/dbraw/zinc/54/19/75/1425541975.db2.gz RFNOASKOJFXYJX-NEPJUHHUSA-N 0 1 389.916 3.076 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)N(C)C)cc1 ZINC000171219512 1425545565 /nfs/dbraw/zinc/54/55/65/1425545565.db2.gz WSJAIKRXOYDMPS-KKSFZXQISA-N 0 1 397.519 3.314 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)N2CCCC2)o1 ZINC000171227275 1425550552 /nfs/dbraw/zinc/55/05/52/1425550552.db2.gz QRSJTHBSLZXZAF-DNVCBOLYSA-N 0 1 396.491 3.280 20 0 GGADMN CCOC(=O)c1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000171227349 1425550695 /nfs/dbraw/zinc/55/06/95/1425550695.db2.gz XCEKPJBLADMYDE-LJQANCHMSA-N 0 1 399.491 3.401 20 0 GGADMN Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737332422 1425551591 /nfs/dbraw/zinc/55/15/91/1425551591.db2.gz VXVAESGENDWSMO-IEBWSBKVSA-N 0 1 397.479 3.125 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCc2ccc3c(c2)OCCO3)N2CCCC2)o1 ZINC000171228826 1425551943 /nfs/dbraw/zinc/55/19/43/1425551943.db2.gz VBRYKAXLMKXQPV-GOSISDBHSA-N 0 1 399.491 3.038 20 0 GGADMN O=C(CN1CCC(C2OCCO2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000171237608 1425559631 /nfs/dbraw/zinc/55/96/31/1425559631.db2.gz KRGKHNJSRILRBP-NRFANRHFSA-N 0 1 390.499 3.258 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)N2CCCC2)o1 ZINC000171239604 1425560437 /nfs/dbraw/zinc/56/04/37/1425560437.db2.gz SIYRVJIBJAYCLQ-FQEVSTJZSA-N 0 1 393.491 3.410 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(C2OCCO2)CC1 ZINC000171238309 1425561029 /nfs/dbraw/zinc/56/10/29/1425561029.db2.gz SPNWZEKJEATTCO-DLBZAZTESA-N 0 1 382.504 3.490 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc2c(c1)CCO2)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171241413 1425561640 /nfs/dbraw/zinc/56/16/40/1425561640.db2.gz ROBPHZNTOCJXAD-OAHLLOKOSA-N 0 1 398.482 3.395 20 0 GGADMN Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822028225 1425562272 /nfs/dbraw/zinc/56/22/72/1425562272.db2.gz MJFZESKNDISBLN-UHFFFAOYSA-N 0 1 386.550 3.398 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000737031275 1425563717 /nfs/dbraw/zinc/56/37/17/1425563717.db2.gz DOKXVRZVUIXUQF-KRWDZBQOSA-N 0 1 383.427 3.230 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCCO[C@@H](C)C2)CC1 ZINC000171246823 1425564251 /nfs/dbraw/zinc/56/42/51/1425564251.db2.gz QHJSFDHDXGAGJM-HNNXBMFYSA-N 0 1 380.920 3.125 20 0 GGADMN C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480249 1425567375 /nfs/dbraw/zinc/56/73/75/1425567375.db2.gz UWHFTBZADSDAKR-MRXNPFEDSA-N 0 1 392.507 3.443 20 0 GGADMN O=C([N-]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000171251819 1425569925 /nfs/dbraw/zinc/56/99/25/1425569925.db2.gz JSMNBHJGIFZFMP-UHFFFAOYSA-N 0 1 377.410 3.187 20 0 GGADMN O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737879458 1425575168 /nfs/dbraw/zinc/57/51/68/1425575168.db2.gz UPGVWRSIPPCFHR-CQSZACIVSA-N 0 1 386.525 3.010 20 0 GGADMN CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000736480966 1425585107 /nfs/dbraw/zinc/58/51/07/1425585107.db2.gz QAZXICZEYGGBDT-CALCHBBNSA-N 0 1 399.543 3.051 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000736480966 1425585113 /nfs/dbraw/zinc/58/51/13/1425585113.db2.gz QAZXICZEYGGBDT-CALCHBBNSA-N 0 1 399.543 3.051 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000736480966 1425585118 /nfs/dbraw/zinc/58/51/18/1425585118.db2.gz QAZXICZEYGGBDT-CALCHBBNSA-N 0 1 399.543 3.051 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 ZINC000171276592 1425588825 /nfs/dbraw/zinc/58/88/25/1425588825.db2.gz SXVQCVZISAFMPC-IBGZPJMESA-N 0 1 385.533 3.162 20 0 GGADMN COC(=O)Nc1cc(NC(=O)NCCN2CCc3ccccc3C2)ccc1F ZINC000171277185 1425589613 /nfs/dbraw/zinc/58/96/13/1425589613.db2.gz MSLDYUICQITQBD-UHFFFAOYSA-N 0 1 386.427 3.184 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)c1ccco1 ZINC000171290889 1425596986 /nfs/dbraw/zinc/59/69/86/1425596986.db2.gz MQJJZHSPQQWKMC-OAHLLOKOSA-N 0 1 386.477 3.027 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C(F)F)c2)N(C)C)cc1 ZINC000171290831 1425597042 /nfs/dbraw/zinc/59/70/42/1425597042.db2.gz RXGZSDUULYXOOK-KRWDZBQOSA-N 0 1 375.419 3.290 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCCO[C@@H](C)C2)N2CCCCC2)cc1 ZINC000171291106 1425597827 /nfs/dbraw/zinc/59/78/27/1425597827.db2.gz IYHABQFBFSTREL-PXNSSMCTSA-N 0 1 375.513 3.043 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@@H](c2ccccc2)CC1)N1CCN(C)CC1 ZINC000171300443 1425603203 /nfs/dbraw/zinc/60/32/03/1425603203.db2.gz LHNIMWRGZQLFSB-YADHBBJMSA-N 0 1 386.584 3.238 20 0 GGADMN CN1CCN(c2cc(CNC(=O)NC(C)(C)CCc3ccccc3)ccn2)CC1 ZINC000171302497 1425604907 /nfs/dbraw/zinc/60/49/07/1425604907.db2.gz TXPNRZROKUKXPY-UHFFFAOYSA-N 0 1 395.551 3.044 20 0 GGADMN COCC[N@@H+](Cc1cc2cc(OC)ccc2o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159014 1425623206 /nfs/dbraw/zinc/62/32/06/1425623206.db2.gz MTUWLEVZNNOPRD-UHFFFAOYSA-N 0 1 393.447 3.270 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824897840 1425624429 /nfs/dbraw/zinc/62/44/29/1425624429.db2.gz BQWLHGKCLRRVKU-BBRMVZONSA-N 0 1 377.427 3.032 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824897840 1425624432 /nfs/dbraw/zinc/62/44/32/1425624432.db2.gz BQWLHGKCLRRVKU-BBRMVZONSA-N 0 1 377.427 3.032 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824897840 1425624436 /nfs/dbraw/zinc/62/44/36/1425624436.db2.gz BQWLHGKCLRRVKU-BBRMVZONSA-N 0 1 377.427 3.032 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000821798540 1425630381 /nfs/dbraw/zinc/63/03/81/1425630381.db2.gz DTHYWBKSOFLFJN-SGTLLEGYSA-N 0 1 387.871 3.395 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CSC[C@H]1CCCCO1)N1CCCC1 ZINC000171351943 1425632240 /nfs/dbraw/zinc/63/22/40/1425632240.db2.gz AIFPSETVLYGZLV-MJGOQNOKSA-N 0 1 392.565 3.251 20 0 GGADMN CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735732516 1425632324 /nfs/dbraw/zinc/63/23/24/1425632324.db2.gz ALJLURLFUGHTOJ-INIZCTEOSA-N 0 1 388.472 3.383 20 0 GGADMN C[C@@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)C1CCCC1 ZINC000171352292 1425633045 /nfs/dbraw/zinc/63/30/45/1425633045.db2.gz JVWMGBCZXUIUHW-FUHWJXTLSA-N 0 1 375.513 3.008 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)N1CCCC1 ZINC000171353421 1425633947 /nfs/dbraw/zinc/63/39/47/1425633947.db2.gz OBMBSLRMHMTDAF-HXUWFJFHSA-N 0 1 394.519 3.257 20 0 GGADMN Cn1cc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)cn1 ZINC000171372662 1425645442 /nfs/dbraw/zinc/64/54/42/1425645442.db2.gz AUALIYCQWLRDDI-UHFFFAOYSA-N 0 1 390.852 3.127 20 0 GGADMN O=C(CN1CCC[C@H](C2OCCO2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000171376154 1425648954 /nfs/dbraw/zinc/64/89/54/1425648954.db2.gz WMALYQQCNHPLCL-VXKWHMMOSA-N 0 1 394.515 3.172 20 0 GGADMN CC1CCN(c2ccc(C(=O)NC3CCN(Cc4ccncc4)CC3)cn2)CC1 ZINC000171385082 1425653796 /nfs/dbraw/zinc/65/37/96/1425653796.db2.gz XFRUWXNXMZDNCW-UHFFFAOYSA-N 0 1 393.535 3.107 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1cccc2[nH]ccc21 ZINC000171398575 1425661345 /nfs/dbraw/zinc/66/13/45/1425661345.db2.gz PDPCYLHRCJXZQO-UHFFFAOYSA-N 0 1 377.492 3.107 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000171438731 1425679678 /nfs/dbraw/zinc/67/96/78/1425679678.db2.gz MCGFMVTVQTZIOW-FQEVSTJZSA-N 0 1 393.531 3.436 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cc(C)on3)CC2)c1C ZINC000171447857 1425682809 /nfs/dbraw/zinc/68/28/09/1425682809.db2.gz JRKWAYGPMWZEGF-UHFFFAOYSA-N 0 1 387.484 3.132 20 0 GGADMN O=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2ccncc2)CC1 ZINC000171448383 1425684144 /nfs/dbraw/zinc/68/41/44/1425684144.db2.gz WFJUSRBPRPUFGV-UHFFFAOYSA-N 0 1 377.410 3.424 20 0 GGADMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825028678 1425696343 /nfs/dbraw/zinc/69/63/43/1425696343.db2.gz JVHYMRRVGYECCJ-OAHLLOKOSA-N 0 1 385.475 3.387 20 0 GGADMN CCN(C)[C@H](C(=O)NCCCc1cc(N)n(-c2ccccc2)n1)c1ccccc1 ZINC000171477110 1425697805 /nfs/dbraw/zinc/69/78/05/1425697805.db2.gz WLGDIGMDWXNRTG-QFIPXVFZSA-N 0 1 391.519 3.196 20 0 GGADMN CCC(CC)N1C[C@@H](C(=O)Nc2cccc(CN3CCSCC3)c2)CC1=O ZINC000171480758 1425700362 /nfs/dbraw/zinc/70/03/62/1425700362.db2.gz SRTNSOIWIUUZEI-KRWDZBQOSA-N 0 1 389.565 3.211 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000171481217 1425700443 /nfs/dbraw/zinc/70/04/43/1425700443.db2.gz YIBNUEFVQDQGJD-SFHVURJKSA-N 0 1 399.564 3.393 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000171481179 1425700658 /nfs/dbraw/zinc/70/06/58/1425700658.db2.gz ODVCIYGWNIFVJI-SJLPKXTDSA-N 0 1 375.513 3.053 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000826029416 1425703620 /nfs/dbraw/zinc/70/36/20/1425703620.db2.gz RYVGIPDZZOYUPI-QZTJIDSGSA-N 0 1 386.862 3.194 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3Cl)cn2)CC1 ZINC000171524494 1425716347 /nfs/dbraw/zinc/71/63/47/1425716347.db2.gz IEKHYSCHOIJRAP-UHFFFAOYSA-N 0 1 386.927 3.081 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)N(C)C)c1 ZINC000171527685 1425718669 /nfs/dbraw/zinc/71/86/69/1425718669.db2.gz SRWUZSBNCBKVFF-HXUWFJFHSA-N 0 1 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/nfs/dbraw/zinc/05/68/19/1426056819.db2.gz BTXPQATVNGHKKQ-RMKNXTFCSA-N 0 1 381.505 3.412 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Cl)nc1Cl ZINC000172489199 1426057718 /nfs/dbraw/zinc/05/77/18/1426057718.db2.gz RWFYWGXQCIYULJ-LBPRGKRZSA-N 0 1 389.260 3.357 20 0 GGADMN O=C(CC1(N2CCOCC2)CCCC1)Nc1cc2c(cc1Cl)OCCO2 ZINC000172507819 1426064430 /nfs/dbraw/zinc/06/44/30/1426064430.db2.gz HMLJFAIXEKZUTE-UHFFFAOYSA-N 0 1 380.872 3.085 20 0 GGADMN Cn1ccc2ccc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc21 ZINC000172515057 1426067375 /nfs/dbraw/zinc/06/73/75/1426067375.db2.gz GSTBZRCYXAHEOG-UHFFFAOYSA-N 0 1 398.893 3.036 20 0 GGADMN C[C@@H]1CC(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C[C@@H](C)C1 ZINC000172539078 1426078133 /nfs/dbraw/zinc/07/81/33/1426078133.db2.gz KKTGKTDCJWOMDL-HOTGVXAUSA-N 0 1 389.565 3.115 20 0 GGADMN C[C@H](NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1c(F)cccc1F ZINC000824547662 1426082249 /nfs/dbraw/zinc/08/22/49/1426082249.db2.gz RFLKMVMOANJJPD-AWEZNQCLSA-N 0 1 398.461 3.460 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821599036 1426093884 /nfs/dbraw/zinc/09/38/84/1426093884.db2.gz CRWPOWURSPTFBU-CQSZACIVSA-N 0 1 385.903 3.379 20 0 GGADMN CN(CC[C@H]1CCCC[N@@H+]1C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821599036 1426093891 /nfs/dbraw/zinc/09/38/91/1426093891.db2.gz CRWPOWURSPTFBU-CQSZACIVSA-N 0 1 385.903 3.379 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821599036 1426093896 /nfs/dbraw/zinc/09/38/96/1426093896.db2.gz CRWPOWURSPTFBU-CQSZACIVSA-N 0 1 385.903 3.379 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)[nH]n2)o1 ZINC000172573202 1426094130 /nfs/dbraw/zinc/09/41/30/1426094130.db2.gz ULFVXLMLOGBZCA-UHFFFAOYSA-N 0 1 394.431 3.011 20 0 GGADMN c1cc2c(cc1C[NH2+][C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCCO2 ZINC000826518833 1426094225 /nfs/dbraw/zinc/09/42/25/1426094225.db2.gz ZDMDQIAWZIBAGL-SFHVURJKSA-N 0 1 377.448 3.195 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(-c2cnccn2)n1 ZINC000172580189 1426095923 /nfs/dbraw/zinc/09/59/23/1426095923.db2.gz KIJWLEMGUSESAB-INIZCTEOSA-N 0 1 393.516 3.337 20 0 GGADMN C[C@@H](CCNc1c2ccccc2nnc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820243010 1426097605 /nfs/dbraw/zinc/09/76/05/1426097605.db2.gz SVPMZVSHKCAMGO-HNNXBMFYSA-N 0 1 388.479 3.132 20 0 GGADMN C[C@@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820243010 1426097610 /nfs/dbraw/zinc/09/76/10/1426097610.db2.gz SVPMZVSHKCAMGO-HNNXBMFYSA-N 0 1 388.479 3.132 20 0 GGADMN C[C@@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820243010 1426097615 /nfs/dbraw/zinc/09/76/15/1426097615.db2.gz SVPMZVSHKCAMGO-HNNXBMFYSA-N 0 1 388.479 3.132 20 0 GGADMN CC(C)CCNC(=O)[C@@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587843 1426100647 /nfs/dbraw/zinc/10/06/47/1426100647.db2.gz CVFCEBYBAYKSIG-LJQANCHMSA-N 0 1 399.579 3.440 20 0 GGADMN O=C(NC[C@H](CCO)c1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000172591766 1426103763 /nfs/dbraw/zinc/10/37/63/1426103763.db2.gz AQMWGXCRNADXTI-PMACEKPBSA-N 0 1 385.508 3.272 20 0 GGADMN CCCOc1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000172596883 1426105435 /nfs/dbraw/zinc/10/54/35/1426105435.db2.gz NNXUTDHHPYFZOC-KPKJPENVSA-N 0 1 381.476 3.288 20 0 GGADMN CCc1ccc(C[N@@H+](C)Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736690115 1426105530 /nfs/dbraw/zinc/10/55/30/1426105530.db2.gz LIMQWFIVZUZLLL-UHFFFAOYSA-N 0 1 388.479 3.086 20 0 GGADMN Cc1nc2ccccc2nc1CN(C)CCN1CCN(c2ccccc2)CC1 ZINC000172597284 1426105585 /nfs/dbraw/zinc/10/55/85/1426105585.db2.gz BUEGNYPVWSDTEN-UHFFFAOYSA-N 0 1 375.520 3.192 20 0 GGADMN CSc1ccc(O[C@H](C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000172599474 1426107714 /nfs/dbraw/zinc/10/77/14/1426107714.db2.gz AEEVVAWJHNLFBL-MRXNPFEDSA-N 0 1 385.533 3.352 20 0 GGADMN CSc1ccc(O[C@@H](C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000172599472 1426108077 /nfs/dbraw/zinc/10/80/77/1426108077.db2.gz AEEVVAWJHNLFBL-INIZCTEOSA-N 0 1 385.533 3.352 20 0 GGADMN COc1ccccc1C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@@H]1CCCO1 ZINC000826219851 1426114862 /nfs/dbraw/zinc/11/48/62/1426114862.db2.gz SXLZHCZKLQEKKH-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN COc1ccccc1C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@@H]1CCCO1 ZINC000826219851 1426114865 /nfs/dbraw/zinc/11/48/65/1426114865.db2.gz SXLZHCZKLQEKKH-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN COC(=O)C(C)=CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821638729 1426116397 /nfs/dbraw/zinc/11/63/97/1426116397.db2.gz GRJIUKIHFYMEHD-GDNBJRDFSA-N 0 1 395.438 3.127 20 0 GGADMN COC(=O)C(C)=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821638729 1426116401 /nfs/dbraw/zinc/11/64/01/1426116401.db2.gz GRJIUKIHFYMEHD-GDNBJRDFSA-N 0 1 395.438 3.127 20 0 GGADMN C[C@@H]([NH2+]C1(CNc2ccc(F)cc2-c2nn[n-]n2)CCOCC1)c1ccccc1 ZINC000820412678 1426121692 /nfs/dbraw/zinc/12/16/92/1426121692.db2.gz MJOCRIBABMSGMX-OAHLLOKOSA-N 0 1 396.470 3.318 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4c3cc(F)cc4F)n2)cc1 ZINC000172661011 1426132398 /nfs/dbraw/zinc/13/23/98/1426132398.db2.gz RMBFBNZJHAYIPN-UHFFFAOYSA-N 0 1 385.374 3.031 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4c3cc(F)cc4F)n[nH]2)cc1 ZINC000172661011 1426132405 /nfs/dbraw/zinc/13/24/05/1426132405.db2.gz RMBFBNZJHAYIPN-UHFFFAOYSA-N 0 1 385.374 3.031 20 0 GGADMN COCc1cccc(S(=O)(=O)[N-]c2ccc3ccn(CC[NH+](C)C)c3c2)c1 ZINC000172675081 1426138191 /nfs/dbraw/zinc/13/81/91/1426138191.db2.gz FNFPHWDOLWEXSP-UHFFFAOYSA-N 0 1 387.505 3.150 20 0 GGADMN COc1cc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)cc(OC)c1OC ZINC000172682284 1426141593 /nfs/dbraw/zinc/14/15/93/1426141593.db2.gz LXMSNXNLZCUYML-LJQANCHMSA-N 0 1 398.503 3.383 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000172686704 1426142642 /nfs/dbraw/zinc/14/26/42/1426142642.db2.gz NAIJJIOWWNMYNW-HXUWFJFHSA-N 0 1 396.535 3.035 20 0 GGADMN C[C@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)N1CCc2ccccc2C1 ZINC000172710393 1426154091 /nfs/dbraw/zinc/15/40/91/1426154091.db2.gz XTSIZCHCIDZLHR-QGZVFWFLSA-N 0 1 394.519 3.150 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(OC)cc1)c1ccco1 ZINC000172712999 1426155767 /nfs/dbraw/zinc/15/57/67/1426155767.db2.gz PIPHKTLYBAKAMQ-GOSISDBHSA-N 0 1 382.464 3.491 20 0 GGADMN CCNC(=O)Nc1cccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)c1 ZINC000172713621 1426156278 /nfs/dbraw/zinc/15/62/78/1426156278.db2.gz BDUHAMPKENLTJP-UHFFFAOYSA-N 0 1 379.420 3.479 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000172715489 1426157149 /nfs/dbraw/zinc/15/71/49/1426157149.db2.gz WTRZITMEUHPBMI-QFIPXVFZSA-N 0 1 390.531 3.272 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(CN3CCSCC3)c2C)C1 ZINC000172722261 1426160008 /nfs/dbraw/zinc/16/00/08/1426160008.db2.gz RTFRPIHCOJPGFZ-SJORKVTESA-N 0 1 390.549 3.462 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cccc(CN3CCSCC3)c2C)C1 ZINC000172722273 1426160336 /nfs/dbraw/zinc/16/03/36/1426160336.db2.gz RTFRPIHCOJPGFZ-IAGOWNOFSA-N 0 1 390.549 3.462 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H]3CCCOc4ccccc43)c2)CC1 ZINC000172733047 1426165541 /nfs/dbraw/zinc/16/55/41/1426165541.db2.gz AEYRMWPBSAOPSW-NRFANRHFSA-N 0 1 379.504 3.078 20 0 GGADMN C[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824625813 1426166581 /nfs/dbraw/zinc/16/65/81/1426166581.db2.gz KOBACCZPKALMJA-CQSZACIVSA-N 0 1 377.427 3.101 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000172743472 1426169881 /nfs/dbraw/zinc/16/98/81/1426169881.db2.gz DSIGBRCOVVLSEW-LJQANCHMSA-N 0 1 398.503 3.383 20 0 GGADMN O=C1O[C@@H](CN2CCC[C@H](c3nnc4n3CCCCC4)C2)CN1c1ccccc1 ZINC000172744081 1426170736 /nfs/dbraw/zinc/17/07/36/1426170736.db2.gz HPQHVOVZGYGUBT-HKUYNNGSSA-N 0 1 395.507 3.209 20 0 GGADMN O=C1O[C@H](CN2CCC[C@H](c3nnc4n3CCCCC4)C2)CN1c1ccccc1 ZINC000172744087 1426170887 /nfs/dbraw/zinc/17/08/87/1426170887.db2.gz HPQHVOVZGYGUBT-PKOBYXMFSA-N 0 1 395.507 3.209 20 0 GGADMN Cc1ccc2cccc(NC(=O)CCN3CCN(c4ccccn4)CC3)c2n1 ZINC000172755127 1426174442 /nfs/dbraw/zinc/17/44/42/1426174442.db2.gz ASNZMWAGPPZXSF-UHFFFAOYSA-N 0 1 375.476 3.089 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000172755529 1426174741 /nfs/dbraw/zinc/17/47/41/1426174741.db2.gz RRIAPGNSRGCCIS-UHFFFAOYSA-N 0 1 398.938 3.095 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1F ZINC000172761293 1426176322 /nfs/dbraw/zinc/17/63/22/1426176322.db2.gz SITVNRGXAOLQAW-UHFFFAOYSA-N 0 1 396.388 3.390 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ncc[nH]4)c3)cc2)CC1 ZINC000172767482 1426178204 /nfs/dbraw/zinc/17/82/04/1426178204.db2.gz DDEQALAGZFKWMA-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000172774468 1426181742 /nfs/dbraw/zinc/18/17/42/1426181742.db2.gz GBMCBBFZDLYMJY-HSZRJFAPSA-N 0 1 396.510 3.390 20 0 GGADMN CCOc1ccc(OC)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000172775889 1426182435 /nfs/dbraw/zinc/18/24/35/1426182435.db2.gz BPUBWLDAKKFSAT-UHFFFAOYSA-N 0 1 383.492 3.245 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000172776966 1426183397 /nfs/dbraw/zinc/18/33/97/1426183397.db2.gz JSFHVSUKYRPJOG-UHFFFAOYSA-N 0 1 376.416 3.247 20 0 GGADMN COc1ccccc1CN1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172778035 1426183757 /nfs/dbraw/zinc/18/37/57/1426183757.db2.gz PGAAISVTLRJFCP-SFHVURJKSA-N 0 1 389.540 3.070 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172779007 1426183814 /nfs/dbraw/zinc/18/38/14/1426183814.db2.gz YZCCFJXADOHAJW-FQEVSTJZSA-N 0 1 381.476 3.236 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000172790148 1426189864 /nfs/dbraw/zinc/18/98/64/1426189864.db2.gz XQYXAVHXRVAJPA-IFXJQAMLSA-N 0 1 394.450 3.432 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735857227 1426198996 /nfs/dbraw/zinc/19/89/96/1426198996.db2.gz PGBZTSFIBRQYLS-UHFFFAOYSA-N 0 1 396.520 3.088 20 0 GGADMN CC(C)[N@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735857227 1426199001 /nfs/dbraw/zinc/19/90/01/1426199001.db2.gz PGBZTSFIBRQYLS-UHFFFAOYSA-N 0 1 396.520 3.088 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735857227 1426199005 /nfs/dbraw/zinc/19/90/05/1426199005.db2.gz PGBZTSFIBRQYLS-UHFFFAOYSA-N 0 1 396.520 3.088 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000172815566 1426202469 /nfs/dbraw/zinc/20/24/69/1426202469.db2.gz YPYOURQSNOMKER-OFNKIYASSA-N 0 1 392.547 3.342 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000172841505 1426215169 /nfs/dbraw/zinc/21/51/69/1426215169.db2.gz AMEXSJGOXSODJT-QGZVFWFLSA-N 0 1 387.553 3.249 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000172841505 1426215178 /nfs/dbraw/zinc/21/51/78/1426215178.db2.gz AMEXSJGOXSODJT-QGZVFWFLSA-N 0 1 387.553 3.249 20 0 GGADMN O[C@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000738382974 1426215992 /nfs/dbraw/zinc/21/59/92/1426215992.db2.gz UMWBOBLJILOBSL-TZIWHRDSSA-N 0 1 393.491 3.128 20 0 GGADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000172855517 1426222263 /nfs/dbraw/zinc/22/22/63/1426222263.db2.gz HYQNWPGBXYUXKL-QWHCGFSZSA-N 0 1 381.402 3.345 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@H](C)[C@@H]1C ZINC000172862703 1426226549 /nfs/dbraw/zinc/22/65/49/1426226549.db2.gz WXCNLKKLVMYFOI-HOTGVXAUSA-N 0 1 392.569 3.317 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@@H](C)[C@@H]1C ZINC000172862710 1426226613 /nfs/dbraw/zinc/22/66/13/1426226613.db2.gz WXCNLKKLVMYFOI-CVEARBPZSA-N 0 1 392.569 3.317 20 0 GGADMN C[C@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000172869416 1426231168 /nfs/dbraw/zinc/23/11/68/1426231168.db2.gz VZRVKXRBSYWKSZ-CTNGQTDRSA-N 0 1 378.516 3.499 20 0 GGADMN c1ccc([C@H]([NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)C2CCOCC2)cc1 ZINC000826520160 1426231494 /nfs/dbraw/zinc/23/14/94/1426231494.db2.gz BIXCPSGIIWUBMA-NRFANRHFSA-N 0 1 393.491 3.393 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)Nc2cccc(CN3CCN(C)CC3)c2)n1 ZINC000172884098 1426238717 /nfs/dbraw/zinc/23/87/17/1426238717.db2.gz HQOCBAPWNIORPF-UHFFFAOYSA-N 0 1 391.475 3.045 20 0 GGADMN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Br)c1F ZINC001139853997 1426238928 /nfs/dbraw/zinc/23/89/28/1426238928.db2.gz RQMNRNSCTYPSBI-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Br)c1F ZINC001139853997 1426238931 /nfs/dbraw/zinc/23/89/31/1426238931.db2.gz RQMNRNSCTYPSBI-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)CCCC[NH+](C)C ZINC000737279343 1426242367 /nfs/dbraw/zinc/24/23/67/1426242367.db2.gz KAHLILDIWJZRHS-UHFFFAOYSA-N 0 1 395.467 3.033 20 0 GGADMN CCCn1ccc2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc21 ZINC000172896064 1426243923 /nfs/dbraw/zinc/24/39/23/1426243923.db2.gz GNLDYNZNOOKCJL-UHFFFAOYSA-N 0 1 392.502 3.256 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1c(F)cccc1F ZINC000172897600 1426244411 /nfs/dbraw/zinc/24/44/11/1426244411.db2.gz NLEATYZDNGLONG-RYUDHWBXSA-N 0 1 382.432 3.046 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)cc3OC(F)F)ccc2o1 ZINC000172907029 1426252601 /nfs/dbraw/zinc/25/26/01/1426252601.db2.gz WEKGSWZSPWEZGE-UHFFFAOYSA-N 0 1 385.319 3.334 20 0 GGADMN C[C@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)Sc1ccccc1 ZINC000172918306 1426262142 /nfs/dbraw/zinc/26/21/42/1426262142.db2.gz IAUIEQRGASVJNN-CQSZACIVSA-N 0 1 399.541 3.372 20 0 GGADMN S=c1oc(-c2ccccc2Cl)nn1CN1CC[C@H](CN2CCOCC2)C1 ZINC000172934326 1426272651 /nfs/dbraw/zinc/27/26/51/1426272651.db2.gz LMSYWCVGZGTDJA-CQSZACIVSA-N 0 1 394.928 3.138 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCOCC(F)(F)F)c2ccccc2)c1 ZINC000172942636 1426277097 /nfs/dbraw/zinc/27/70/97/1426277097.db2.gz XKOUQYNVPVTVAN-KRWDZBQOSA-N 0 1 387.423 3.348 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1F ZINC000172947331 1426280120 /nfs/dbraw/zinc/28/01/20/1426280120.db2.gz OTJBXNJHNCCLHB-KRWDZBQOSA-N 0 1 380.485 3.083 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1F ZINC000172947422 1426280464 /nfs/dbraw/zinc/28/04/64/1426280464.db2.gz OTJBXNJHNCCLHB-QGZVFWFLSA-N 0 1 380.485 3.083 20 0 GGADMN C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CC[C@H](CSc3ccccc3)C2)C1=O ZINC000172950664 1426281942 /nfs/dbraw/zinc/28/19/42/1426281942.db2.gz NRCWHSKHMIUXEC-UWVAXJGDSA-N 0 1 395.528 3.384 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 ZINC000172981458 1426292115 /nfs/dbraw/zinc/29/21/15/1426292115.db2.gz DTKPPZTUWIBHNI-UHFFFAOYSA-N 0 1 391.431 3.257 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccccc2-c2nc(C)no2)N(C)C)c1 ZINC000172981682 1426293047 /nfs/dbraw/zinc/29/30/47/1426293047.db2.gz QRNOPXAEFNXJPD-LJQANCHMSA-N 0 1 380.448 3.086 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736234420 1426299933 /nfs/dbraw/zinc/29/99/33/1426299933.db2.gz JDBSUBJCJRPQET-YOEHRIQHSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234420 1426299935 /nfs/dbraw/zinc/29/99/35/1426299935.db2.gz JDBSUBJCJRPQET-YOEHRIQHSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234420 1426299939 /nfs/dbraw/zinc/29/99/39/1426299939.db2.gz JDBSUBJCJRPQET-YOEHRIQHSA-N 0 1 394.454 3.212 20 0 GGADMN CC(C)([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000824167645 1426303131 /nfs/dbraw/zinc/30/31/31/1426303131.db2.gz RIUBZJBVXWVICN-UHFFFAOYSA-N 0 1 390.900 3.435 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2cnn(C)c2)c1 ZINC000173011065 1426306539 /nfs/dbraw/zinc/30/65/39/1426306539.db2.gz QLAYDQWQYGSKJX-UHFFFAOYSA-N 0 1 398.488 3.114 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)cn2)CC1 ZINC000173018436 1426309550 /nfs/dbraw/zinc/30/95/50/1426309550.db2.gz BVCOBOMNHSKLGO-UHFFFAOYSA-N 0 1 379.439 3.220 20 0 GGADMN Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000826375874 1426314011 /nfs/dbraw/zinc/31/40/11/1426314011.db2.gz FNABOPCTVDZUGN-OAQYLSRUSA-N 0 1 392.482 3.247 20 0 GGADMN CCCc1nc(C(=O)N2CCN(C3CCCC3)CC2)nn1-c1ccccc1F ZINC000173051602 1426323759 /nfs/dbraw/zinc/32/37/59/1426323759.db2.gz YHXJGJMNUHGICJ-UHFFFAOYSA-N 0 1 385.487 3.059 20 0 GGADMN C[C@H](C(=O)N1CCCN(C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000173054723 1426324600 /nfs/dbraw/zinc/32/46/00/1426324600.db2.gz ZZWPFZKPMQBTFD-WMZOPIPTSA-N 0 1 375.513 3.053 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000826277123 1426332980 /nfs/dbraw/zinc/33/29/80/1426332980.db2.gz KFKGJQYWWPMVDN-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000826277123 1426332987 /nfs/dbraw/zinc/33/29/87/1426332987.db2.gz KFKGJQYWWPMVDN-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000826277123 1426332994 /nfs/dbraw/zinc/33/29/94/1426332994.db2.gz KFKGJQYWWPMVDN-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cccs1 ZINC000173082381 1426335070 /nfs/dbraw/zinc/33/50/70/1426335070.db2.gz YIGUMFLZANKWAE-AWEZNQCLSA-N 0 1 393.509 3.399 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173084980 1426335888 /nfs/dbraw/zinc/33/58/88/1426335888.db2.gz WVWGUOVZXCHEDL-IRXDYDNUSA-N 0 1 391.512 3.322 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CCO2)n[nH]1 ZINC000173085547 1426336538 /nfs/dbraw/zinc/33/65/38/1426336538.db2.gz ZPOOTXIOZLRPAV-LJQANCHMSA-N 0 1 382.464 3.434 20 0 GGADMN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(N3CCN(C)CC3)cc1C)C2 ZINC000173087054 1426336975 /nfs/dbraw/zinc/33/69/75/1426336975.db2.gz VKUTWQQFQVMADZ-QFIPXVFZSA-N 0 1 379.504 3.306 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000173094927 1426339297 /nfs/dbraw/zinc/33/92/97/1426339297.db2.gz OZRPDUSNVUAFSI-KFWWJZLASA-N 0 1 394.397 3.090 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CCO2)n[nH]1 ZINC000173098693 1426340681 /nfs/dbraw/zinc/34/06/81/1426340681.db2.gz AXWAMRJPEKAXNF-ILXRZTDVSA-N 0 1 394.397 3.090 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000173099637 1426341325 /nfs/dbraw/zinc/34/13/25/1426341325.db2.gz XNRSKMCLJVWJFO-BZPMIXESSA-N 0 1 395.290 3.378 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000173099644 1426341443 /nfs/dbraw/zinc/34/14/43/1426341443.db2.gz XNRSKMCLJVWJFO-YRGRVCCFSA-N 0 1 395.290 3.378 20 0 GGADMN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000173099121 1426341484 /nfs/dbraw/zinc/34/14/84/1426341484.db2.gz ISFUOFKMABYATP-INIZCTEOSA-N 0 1 390.915 3.298 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000173099651 1426341704 /nfs/dbraw/zinc/34/17/04/1426341704.db2.gz XNRSKMCLJVWJFO-DYEKYZERSA-N 0 1 395.290 3.378 20 0 GGADMN CC(C)(c1nnc(NC(=O)N2CC[C@H](N3CC=CC3)C2)s1)c1ccccc1 ZINC000173102283 1426342757 /nfs/dbraw/zinc/34/27/57/1426342757.db2.gz LWAZFFXEHLFCQY-INIZCTEOSA-N 0 1 383.521 3.342 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000173103819 1426343196 /nfs/dbraw/zinc/34/31/96/1426343196.db2.gz PWWXBTVCTNBREB-NSHDSACASA-N 0 1 393.846 3.046 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000173106588 1426344400 /nfs/dbraw/zinc/34/44/00/1426344400.db2.gz NWDDNHBHMNIVSZ-KGLIPLIRSA-N 0 1 389.858 3.382 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C)ccc1C ZINC000173122062 1426351631 /nfs/dbraw/zinc/35/16/31/1426351631.db2.gz NSQOSPGEIZCFOG-OAHLLOKOSA-N 0 1 388.489 3.429 20 0 GGADMN C[C@H](Oc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000820549857 1426351776 /nfs/dbraw/zinc/35/17/76/1426351776.db2.gz SOZACEMVQCUVAQ-ZDUSSCGKSA-N 0 1 391.435 3.118 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1cccc(CC(F)(F)F)c1 ZINC000173124487 1426352569 /nfs/dbraw/zinc/35/25/69/1426352569.db2.gz CKOSZXQYZSNYSM-UHFFFAOYSA-N 0 1 390.365 3.426 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@H](Cc2ccccc2)C1 ZINC000826304555 1426353444 /nfs/dbraw/zinc/35/34/44/1426353444.db2.gz PJYULTFZURVYMU-QGZVFWFLSA-N 0 1 386.459 3.171 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)N(C)C)c1 ZINC000173131731 1426355373 /nfs/dbraw/zinc/35/53/73/1426355373.db2.gz YWHUIISFRUJSOV-OAQYLSRUSA-N 0 1 395.503 3.005 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@@]34CCCc3ccccc34)n2)cc1 ZINC000173135053 1426357913 /nfs/dbraw/zinc/35/79/13/1426357913.db2.gz RXDQXGQGBUKACF-AUSIDOKSSA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@@]34CCCc3ccccc34)n[nH]2)cc1 ZINC000173135053 1426357921 /nfs/dbraw/zinc/35/79/21/1426357921.db2.gz RXDQXGQGBUKACF-AUSIDOKSSA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccnc(N2CCN(C(=O)[C@H]3C[C@]34CCCc3ccccc34)CC2)c1 ZINC000173142693 1426362518 /nfs/dbraw/zinc/36/25/18/1426362518.db2.gz VRNRAHYRKSQJMW-OFNKIYASSA-N 0 1 377.488 3.033 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1F ZINC000173156381 1426369596 /nfs/dbraw/zinc/36/95/96/1426369596.db2.gz IUMJMIASDXARPF-FQEVSTJZSA-N 0 1 392.446 3.161 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC(C)(C)C[C@@H](C)O)N1CCCCC1 ZINC000173160193 1426370901 /nfs/dbraw/zinc/37/09/01/1426370901.db2.gz JUAJYCYKBDKIHX-MJGOQNOKSA-N 0 1 391.556 3.319 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)C[C@H](C)O)N1CCCCC1 ZINC000173160205 1426371020 /nfs/dbraw/zinc/37/10/20/1426371020.db2.gz JUAJYCYKBDKIHX-PKOBYXMFSA-N 0 1 391.556 3.319 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1ncc(C)s1)N1CCCCC1 ZINC000173160227 1426371107 /nfs/dbraw/zinc/37/11/07/1426371107.db2.gz OTYHMQOCBGEBOF-KRWDZBQOSA-N 0 1 388.537 3.487 20 0 GGADMN Cc1ccc(-c2noc(CCCN3CCN(CCOC(C)C)CC3)n2)cc1F ZINC000173167083 1426373912 /nfs/dbraw/zinc/37/39/12/1426373912.db2.gz VMJCVVSDRAAADV-UHFFFAOYSA-N 0 1 390.503 3.159 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000824450150 1426374523 /nfs/dbraw/zinc/37/45/23/1426374523.db2.gz SNOQWLRFIVFRJW-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN COc1ccc(-c2ncc(C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)s2)cc1 ZINC000173210095 1426395981 /nfs/dbraw/zinc/39/59/81/1426395981.db2.gz IKWOLRBZLSOPTO-GASCZTMLSA-N 0 1 389.521 3.048 20 0 GGADMN Cc1ccc(Oc2ccccc2NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000173210772 1426396243 /nfs/dbraw/zinc/39/62/43/1426396243.db2.gz HBIBFCKAGGTECY-SFHVURJKSA-N 0 1 391.471 3.199 20 0 GGADMN Nc1ccc(F)c(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000173211491 1426396292 /nfs/dbraw/zinc/39/62/92/1426396292.db2.gz XZXSOECMDOGMNM-QPJJXVBHSA-N 0 1 382.483 3.068 20 0 GGADMN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c(C)c1 ZINC000173219343 1426400770 /nfs/dbraw/zinc/40/07/70/1426400770.db2.gz LSILFRZYJZUXIH-SJORKVTESA-N 0 1 387.549 3.297 20 0 GGADMN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c(C)c1 ZINC000173219373 1426400811 /nfs/dbraw/zinc/40/08/11/1426400811.db2.gz LSILFRZYJZUXIH-IAGOWNOFSA-N 0 1 387.549 3.297 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000822754026 1426403332 /nfs/dbraw/zinc/40/33/32/1426403332.db2.gz WFGNTRAZHCGNJK-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN Fc1ccc(-c2nn[n-]n2)c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000822754026 1426403335 /nfs/dbraw/zinc/40/33/35/1426403335.db2.gz WFGNTRAZHCGNJK-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN Fc1ccc(-c2nn[n-]n2)c(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000822754026 1426403339 /nfs/dbraw/zinc/40/33/39/1426403339.db2.gz WFGNTRAZHCGNJK-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc12 ZINC000173237425 1426423139 /nfs/dbraw/zinc/42/31/39/1426423139.db2.gz AFKJQHNZGXOYPV-UHFFFAOYSA-N 0 1 398.536 3.157 20 0 GGADMN CC[C@@](C)(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(C)cs1 ZINC000173238145 1426423234 /nfs/dbraw/zinc/42/32/34/1426423234.db2.gz WDCSZQITWZGFEB-OAQYLSRUSA-N 0 1 386.565 3.254 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccnc(Oc2ccccc2)c1)N1CCN(C)CC1 ZINC000173250519 1426430409 /nfs/dbraw/zinc/43/04/09/1426430409.db2.gz MASRTZKKANDHOO-FQEVSTJZSA-N 0 1 397.523 3.267 20 0 GGADMN COc1ccc(OC)c(-c2csc(NC(=O)CN(C)[C@H](C)C3CC3)n2)c1 ZINC000173252181 1426431767 /nfs/dbraw/zinc/43/17/67/1426431767.db2.gz RWLOYWGTBUSVNP-GFCCVEGCSA-N 0 1 375.494 3.496 20 0 GGADMN CC(C)[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824199935 1426434712 /nfs/dbraw/zinc/43/47/12/1426434712.db2.gz MKYUMFUPWKJULJ-HXUWFJFHSA-N 0 1 395.463 3.004 20 0 GGADMN Cc1cc(C)cc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264291 1426437908 /nfs/dbraw/zinc/43/79/08/1426437908.db2.gz IZRJTSZXDVZLMS-KRWDZBQOSA-N 0 1 390.491 3.302 20 0 GGADMN Cc1cc(C)cc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264291 1426437912 /nfs/dbraw/zinc/43/79/12/1426437912.db2.gz IZRJTSZXDVZLMS-KRWDZBQOSA-N 0 1 390.491 3.302 20 0 GGADMN Cc1cc(C)cc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264291 1426437920 /nfs/dbraw/zinc/43/79/20/1426437920.db2.gz IZRJTSZXDVZLMS-KRWDZBQOSA-N 0 1 390.491 3.302 20 0 GGADMN Cc1noc(C2CCC([NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)CC2)n1 ZINC000826339658 1426438346 /nfs/dbraw/zinc/43/83/46/1426438346.db2.gz NQDMDSYVZHVWRU-PVCYVWKFSA-N 0 1 379.468 3.252 20 0 GGADMN CC1(C)C[C@H](NCc2cc(-c3nnn[n-]3)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000824789265 1426438793 /nfs/dbraw/zinc/43/87/93/1426438793.db2.gz GHNCHAPNUUBHFI-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H](NCc2cc(-c3nnn[n-]3)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000824789265 1426438796 /nfs/dbraw/zinc/43/87/96/1426438796.db2.gz GHNCHAPNUUBHFI-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CN1Cc1ccccc1 ZINC000824789265 1426438797 /nfs/dbraw/zinc/43/87/97/1426438797.db2.gz GHNCHAPNUUBHFI-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H](NCc2cc(-c3nn[n-]n3)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000824789265 1426438808 /nfs/dbraw/zinc/43/88/08/1426438808.db2.gz GHNCHAPNUUBHFI-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@H](NCc2cc(-c3nn[n-]n3)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000824789265 1426438810 /nfs/dbraw/zinc/43/88/10/1426438810.db2.gz GHNCHAPNUUBHFI-SFHVURJKSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c2ccc(F)cc2O1 ZINC000173260889 1426439629 /nfs/dbraw/zinc/43/96/29/1426439629.db2.gz NXICPYITCWACPD-MRXNPFEDSA-N 0 1 383.467 3.001 20 0 GGADMN C[C@]1(COC(=O)c2cc(-c3nnn[n-]3)cs2)CCC[N@H+]1Cc1ccccc1 ZINC000820623143 1426440423 /nfs/dbraw/zinc/44/04/23/1426440423.db2.gz GKJLQZHFXZHXHX-LJQANCHMSA-N 0 1 383.477 3.140 20 0 GGADMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824687285 1426446823 /nfs/dbraw/zinc/44/68/23/1426446823.db2.gz FGOBLFZFMWPLFM-OXQOHEQNSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687285 1426446827 /nfs/dbraw/zinc/44/68/27/1426446827.db2.gz FGOBLFZFMWPLFM-OXQOHEQNSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687285 1426446832 /nfs/dbraw/zinc/44/68/32/1426446832.db2.gz FGOBLFZFMWPLFM-OXQOHEQNSA-N 0 1 393.491 3.039 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824266849 1426447212 /nfs/dbraw/zinc/44/72/12/1426447212.db2.gz RVTBOXMBYFGSDE-HNNXBMFYSA-N 0 1 378.480 3.103 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820664902 1426451576 /nfs/dbraw/zinc/45/15/76/1426451576.db2.gz CTDOZUYWSMGOED-KUHUBIRLSA-N 0 1 394.454 3.418 20 0 GGADMN CCCCC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736440767 1426478908 /nfs/dbraw/zinc/47/89/08/1426478908.db2.gz GWFMJPQQVWVQMY-CRAIPNDOSA-N 0 1 380.500 3.016 20 0 GGADMN COc1ccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000173300388 1426481190 /nfs/dbraw/zinc/48/11/90/1426481190.db2.gz ONHVQGCSHXHPSV-ZIAGYGMSSA-N 0 1 380.485 3.496 20 0 GGADMN COc1ccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000173300365 1426481538 /nfs/dbraw/zinc/48/15/38/1426481538.db2.gz ONHVQGCSHXHPSV-KGLIPLIRSA-N 0 1 380.485 3.496 20 0 GGADMN C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173302145 1426484657 /nfs/dbraw/zinc/48/46/57/1426484657.db2.gz CSVWYOHOWSTJCF-QGZVFWFLSA-N 0 1 398.532 3.033 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccn(Cc2ccncc2)n1 ZINC000173304405 1426485428 /nfs/dbraw/zinc/48/54/28/1426485428.db2.gz RCAABVMDQIRLRD-GOSISDBHSA-N 0 1 394.479 3.268 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139094944 1426487066 /nfs/dbraw/zinc/48/70/66/1426487066.db2.gz MDUWDRAAQCLYAU-HXUWFJFHSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139094944 1426487068 /nfs/dbraw/zinc/48/70/68/1426487068.db2.gz MDUWDRAAQCLYAU-HXUWFJFHSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139094944 1426487071 /nfs/dbraw/zinc/48/70/71/1426487071.db2.gz MDUWDRAAQCLYAU-HXUWFJFHSA-N 0 1 386.500 3.088 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173305133 1426487564 /nfs/dbraw/zinc/48/75/64/1426487564.db2.gz PFZNAHZJBLWPGG-GJZGRUSLSA-N 0 1 389.521 3.307 20 0 GGADMN CCCNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1 ZINC000173307513 1426490701 /nfs/dbraw/zinc/49/07/01/1426490701.db2.gz WVNVDEGZQABTJB-UHFFFAOYSA-N 0 1 384.461 3.017 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)OCO2 ZINC000173309093 1426492262 /nfs/dbraw/zinc/49/22/62/1426492262.db2.gz XSQBLQLDKJHUME-KBPBESRZSA-N 0 1 376.478 3.077 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000736136052 1426493626 /nfs/dbraw/zinc/49/36/26/1426493626.db2.gz ZMCKJVLHXYCMIH-VXGBXAGGSA-N 0 1 393.476 3.154 20 0 GGADMN CCc1nnc(-c2cccc(NC(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)c2)o1 ZINC000173314403 1426498792 /nfs/dbraw/zinc/49/87/92/1426498792.db2.gz GPKPTGPFBVHGIE-UHFFFAOYSA-N 0 1 393.428 3.077 20 0 GGADMN COc1ccccc1C(C)(C)NCC(=O)NCCc1nc2ccccc2s1 ZINC000173323364 1426504942 /nfs/dbraw/zinc/50/49/42/1426504942.db2.gz AENBJPPOJIIREU-UHFFFAOYSA-N 0 1 383.517 3.489 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCO3)[C@@H]1c1cccs1 ZINC000173322718 1426505009 /nfs/dbraw/zinc/50/50/09/1426505009.db2.gz PVMDDGRKDXTWFK-DNVCBOLYSA-N 0 1 392.546 3.044 20 0 GGADMN CN(C)[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1c(F)cccc1F ZINC000825851130 1426510835 /nfs/dbraw/zinc/51/08/35/1426510835.db2.gz UTBIJNBGLNKUIX-RBUKOAKNSA-N 0 1 398.461 3.415 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000822761736 1426511683 /nfs/dbraw/zinc/51/16/83/1426511683.db2.gz RVSYYQULFBBXCK-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820703546 1426512105 /nfs/dbraw/zinc/51/21/05/1426512105.db2.gz HGQVBHZWEKKTMP-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820703546 1426512110 /nfs/dbraw/zinc/51/21/10/1426512110.db2.gz HGQVBHZWEKKTMP-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820703546 1426512117 /nfs/dbraw/zinc/51/21/17/1426512117.db2.gz HGQVBHZWEKKTMP-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Cl)c(N4CCNC4=O)c3)n2)cc1 ZINC000173332832 1426514536 /nfs/dbraw/zinc/51/45/36/1426514536.db2.gz QSTBQNLTVOINIH-UHFFFAOYSA-N 0 1 396.838 3.215 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)cc3OC(F)F)cc2)CC1 ZINC000173335502 1426516449 /nfs/dbraw/zinc/51/64/49/1426516449.db2.gz DWLUKZMIGZIJGY-UHFFFAOYSA-N 0 1 393.409 3.427 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000173336513 1426517037 /nfs/dbraw/zinc/51/70/37/1426517037.db2.gz CCFCUDLGVAJCNZ-LSDHHAIUSA-N 0 1 392.521 3.366 20 0 GGADMN C[C@H](NCc1cccc(Cn2cccn2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173341005 1426520194 /nfs/dbraw/zinc/52/01/94/1426520194.db2.gz LINHAMKUETXSPL-KRWDZBQOSA-N 0 1 398.532 3.033 20 0 GGADMN Cc1cnc(CNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)s1 ZINC000173345382 1426523867 /nfs/dbraw/zinc/52/38/67/1426523867.db2.gz JPGNIWXLDPCJST-AWEZNQCLSA-N 0 1 386.521 3.067 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(CCCO)CC(C)(C)C ZINC000173349644 1426527384 /nfs/dbraw/zinc/52/73/84/1426527384.db2.gz RECVDXNWKLIOSD-UHFFFAOYSA-N 0 1 386.540 3.467 20 0 GGADMN Cc1nc(-c2cccc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)c2)cs1 ZINC000173356981 1426531898 /nfs/dbraw/zinc/53/18/98/1426531898.db2.gz RJURXRURQRQKDI-QGZVFWFLSA-N 0 1 385.533 3.303 20 0 GGADMN Cc1cccc2c(NC[C@H](O)c3ccc(Cl)c(F)c3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826305315 1426532714 /nfs/dbraw/zinc/53/27/14/1426532714.db2.gz RTBLEXRBRQBBGJ-INIZCTEOSA-N 0 1 398.829 3.083 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000826263769 1426532724 /nfs/dbraw/zinc/53/27/24/1426532724.db2.gz PTJOICIFZOPQAM-MRXNPFEDSA-N 0 1 377.496 3.096 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000173360264 1426534295 /nfs/dbraw/zinc/53/42/95/1426534295.db2.gz OAIOFLOOONWTAA-IBGZPJMESA-N 0 1 395.547 3.146 20 0 GGADMN CC[C@@H](NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C)c1ccncc1 ZINC000173363641 1426536906 /nfs/dbraw/zinc/53/69/06/1426536906.db2.gz ZKKCPZODCZBVEZ-MSOLQXFVSA-N 0 1 386.496 3.152 20 0 GGADMN COc1ccc([C@H](CNC(=O)N([C@H](C)C2CC2)C2CC2)N(C)C)cc1OC ZINC000173363761 1426537302 /nfs/dbraw/zinc/53/73/02/1426537302.db2.gz PUDASYFXFDRPJV-KDOFPFPSSA-N 0 1 375.513 3.279 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1-c1nn[n-]n1 ZINC000826352371 1426542525 /nfs/dbraw/zinc/54/25/25/1426542525.db2.gz YJBOTCJGIUHUQH-ZMSDIMECSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1-c1nnn[n-]1 ZINC000826352371 1426542528 /nfs/dbraw/zinc/54/25/28/1426542528.db2.gz YJBOTCJGIUHUQH-ZMSDIMECSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1-c1nnn[n-]1 ZINC000826352371 1426542531 /nfs/dbraw/zinc/54/25/31/1426542531.db2.gz YJBOTCJGIUHUQH-ZMSDIMECSA-N 0 1 395.898 3.238 20 0 GGADMN Cc1ccccc1C[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306812 1426542566 /nfs/dbraw/zinc/54/25/66/1426542566.db2.gz MDEALZUAXNWBJO-SFHVURJKSA-N 0 1 390.535 3.360 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039848 1426546267 /nfs/dbraw/zinc/54/62/67/1426546267.db2.gz INHYJDSWDYANHC-MRXNPFEDSA-N 0 1 394.523 3.135 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039848 1426546270 /nfs/dbraw/zinc/54/62/70/1426546270.db2.gz INHYJDSWDYANHC-MRXNPFEDSA-N 0 1 394.523 3.135 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039848 1426546279 /nfs/dbraw/zinc/54/62/79/1426546279.db2.gz INHYJDSWDYANHC-MRXNPFEDSA-N 0 1 394.523 3.135 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173377764 1426550323 /nfs/dbraw/zinc/55/03/23/1426550323.db2.gz SLYVHSDRDZSWNL-HNNXBMFYSA-N 0 1 394.516 3.019 20 0 GGADMN c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520169 1426552540 /nfs/dbraw/zinc/55/25/40/1426552540.db2.gz BQVKINFEYUBYPB-LAUBAEHRSA-N 0 1 393.491 3.393 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826203005 1426557940 /nfs/dbraw/zinc/55/79/40/1426557940.db2.gz WEKLGIWHWPOKRB-IEBWSBKVSA-N 0 1 398.898 3.064 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCC[C@H](C4OCCO4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000738423796 1426561946 /nfs/dbraw/zinc/56/19/46/1426561946.db2.gz VARBHRMHBBNYCZ-SFHVURJKSA-N 0 1 391.475 3.119 20 0 GGADMN c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738423796 1426561948 /nfs/dbraw/zinc/56/19/48/1426561948.db2.gz VARBHRMHBBNYCZ-SFHVURJKSA-N 0 1 391.475 3.119 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCC[C@H](C4OCCO4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738423796 1426561951 /nfs/dbraw/zinc/56/19/51/1426561951.db2.gz VARBHRMHBBNYCZ-SFHVURJKSA-N 0 1 391.475 3.119 20 0 GGADMN Cc1nc(-c2cccc(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)c2)cs1 ZINC000173391534 1426569810 /nfs/dbraw/zinc/56/98/10/1426569810.db2.gz SOJJWHGENLBXDV-FQEVSTJZSA-N 0 1 386.565 3.120 20 0 GGADMN C[C@@H](NCc1cccc(OCC(F)F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173392372 1426570359 /nfs/dbraw/zinc/57/03/59/1426570359.db2.gz MINHZUWTJRLEND-CQSZACIVSA-N 0 1 398.475 3.432 20 0 GGADMN Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822035501 1426575474 /nfs/dbraw/zinc/57/54/74/1426575474.db2.gz VTUMYJGWMSGCJP-UHFFFAOYSA-N 0 1 394.454 3.307 20 0 GGADMN Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822035501 1426575476 /nfs/dbraw/zinc/57/54/76/1426575476.db2.gz VTUMYJGWMSGCJP-UHFFFAOYSA-N 0 1 394.454 3.307 20 0 GGADMN Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822035501 1426575479 /nfs/dbraw/zinc/57/54/79/1426575479.db2.gz VTUMYJGWMSGCJP-UHFFFAOYSA-N 0 1 394.454 3.307 20 0 GGADMN COC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000826153298 1426577863 /nfs/dbraw/zinc/57/78/63/1426577863.db2.gz ILRMQZJBNXNXEG-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN COC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826153298 1426577868 /nfs/dbraw/zinc/57/78/68/1426577868.db2.gz ILRMQZJBNXNXEG-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN COC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826153298 1426577872 /nfs/dbraw/zinc/57/78/72/1426577872.db2.gz ILRMQZJBNXNXEG-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN CCc1cnc(CNC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)s1 ZINC000173401594 1426584213 /nfs/dbraw/zinc/58/42/13/1426584213.db2.gz LIJUWOKNESOOJI-QGZVFWFLSA-N 0 1 388.537 3.350 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc[nH]2)c1 ZINC000173401990 1426585720 /nfs/dbraw/zinc/58/57/20/1426585720.db2.gz GTRANWOIBAFSAJ-UHFFFAOYSA-N 0 1 399.472 3.063 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826156234 1426588951 /nfs/dbraw/zinc/58/89/51/1426588951.db2.gz VGZSKRZIJBOAPR-UHFFFAOYSA-N 0 1 387.509 3.018 20 0 GGADMN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000826156234 1426588957 /nfs/dbraw/zinc/58/89/57/1426588957.db2.gz VGZSKRZIJBOAPR-UHFFFAOYSA-N 0 1 387.509 3.018 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000826156234 1426588965 /nfs/dbraw/zinc/58/89/65/1426588965.db2.gz VGZSKRZIJBOAPR-UHFFFAOYSA-N 0 1 387.509 3.018 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2coc(-c3ccccc3)n2)N(C)C)c1 ZINC000173409265 1426592778 /nfs/dbraw/zinc/59/27/78/1426592778.db2.gz YPTROYVUVCDLQV-HXUWFJFHSA-N 0 1 394.475 3.452 20 0 GGADMN CCc1ccc([C@H](COC)NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)o1 ZINC000173410283 1426593618 /nfs/dbraw/zinc/59/36/18/1426593618.db2.gz JVXAPEJQJZEPIA-OALUTQOASA-N 0 1 389.496 3.140 20 0 GGADMN C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824593735 1426595873 /nfs/dbraw/zinc/59/58/73/1426595873.db2.gz SLWLCCJRMIQTQK-LBPRGKRZSA-N 0 1 391.401 3.433 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)NCC(CC)(CC)c3ccccc3)C2)CC1 ZINC000173414852 1426597436 /nfs/dbraw/zinc/59/74/36/1426597436.db2.gz BDVWIXODNUCXGK-OAQYLSRUSA-N 0 1 386.584 3.166 20 0 GGADMN Fc1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1-n1ccnc1 ZINC000826372018 1426599582 /nfs/dbraw/zinc/59/95/82/1426599582.db2.gz CXFYPMKKWFDKOE-IBGZPJMESA-N 0 1 389.438 3.359 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000173420098 1426602761 /nfs/dbraw/zinc/60/27/61/1426602761.db2.gz QJHRILKEESRLQJ-HNAYVOBHSA-N 0 1 384.476 3.164 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000173420118 1426602849 /nfs/dbraw/zinc/60/28/49/1426602849.db2.gz QJHRILKEESRLQJ-KXBFYZLASA-N 0 1 384.476 3.164 20 0 GGADMN Cc1nnc(SCCC(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)[nH]1 ZINC000173422092 1426604713 /nfs/dbraw/zinc/60/47/13/1426604713.db2.gz ITGPKSMUYLLJOX-GOSISDBHSA-N 0 1 388.537 3.154 20 0 GGADMN COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)cc1 ZINC000821778180 1426605925 /nfs/dbraw/zinc/60/59/25/1426605925.db2.gz WGMVCRCJASEBID-IERDGZPVSA-N 0 1 392.507 3.363 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(SC)cc2)c1 ZINC000173426200 1426607661 /nfs/dbraw/zinc/60/76/61/1426607661.db2.gz YVSSNBMRBVYUAL-HNNXBMFYSA-N 0 1 394.562 3.184 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000826520993 1426612810 /nfs/dbraw/zinc/61/28/10/1426612810.db2.gz WYLGWSKTMCMGGG-UHFFFAOYSA-N 0 1 387.491 3.407 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2)C[C@H](C)O1 ZINC000173438192 1426619655 /nfs/dbraw/zinc/61/96/55/1426619655.db2.gz CJLOGDOHHDADDZ-HOTGVXAUSA-N 0 1 388.458 3.433 20 0 GGADMN O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000823103228 1426619945 /nfs/dbraw/zinc/61/99/45/1426619945.db2.gz AJWHZMUBWZLRKM-UHFFFAOYSA-N 0 1 390.491 3.076 20 0 GGADMN C[C@@H](N[C@H](CCCO)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173439120 1426620584 /nfs/dbraw/zinc/62/05/84/1426620584.db2.gz SAQWDBGQVSMWTA-OXQOHEQNSA-N 0 1 376.522 3.101 20 0 GGADMN CC(C)CN1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000173441464 1426621513 /nfs/dbraw/zinc/62/15/13/1426621513.db2.gz FYAIZLODELFVPA-SFHVURJKSA-N 0 1 381.467 3.057 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC(CN4CCCCC4=O)CC3)C2=O)cc1 ZINC000173441161 1426621554 /nfs/dbraw/zinc/62/15/54/1426621554.db2.gz YSRIRCMKWMSPAY-NRFANRHFSA-N 0 1 383.536 3.215 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737843995 1426635576 /nfs/dbraw/zinc/63/55/76/1426635576.db2.gz PZMWSVFVCVIOTN-GOSISDBHSA-N 0 1 390.491 3.465 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737843995 1426635582 /nfs/dbraw/zinc/63/55/82/1426635582.db2.gz PZMWSVFVCVIOTN-GOSISDBHSA-N 0 1 390.491 3.465 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737843995 1426635589 /nfs/dbraw/zinc/63/55/89/1426635589.db2.gz PZMWSVFVCVIOTN-GOSISDBHSA-N 0 1 390.491 3.465 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618884 1426635606 /nfs/dbraw/zinc/63/56/06/1426635606.db2.gz RJZOQANSDBFZMO-OAHLLOKOSA-N 0 1 376.464 3.234 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@@H](c2ccccc2)CO1 ZINC000173463402 1426637798 /nfs/dbraw/zinc/63/77/98/1426637798.db2.gz KVDHVOLWGJWZEG-AUSIDOKSSA-N 0 1 393.531 3.036 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@H](c2ccccc2)CO1 ZINC000173463514 1426638028 /nfs/dbraw/zinc/63/80/28/1426638028.db2.gz ZMDUKDQRGJHMTI-XXBNENTESA-N 0 1 393.531 3.036 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@H](c2ccccc2)CO1 ZINC000173463526 1426638045 /nfs/dbraw/zinc/63/80/45/1426638045.db2.gz ZMDUKDQRGJHMTI-CVDCTZTESA-N 0 1 393.531 3.036 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N3CCC(c4c[nH]c5ccccc54)CC3)C2=O)n1 ZINC000173469823 1426643917 /nfs/dbraw/zinc/64/39/17/1426643917.db2.gz GHJHXNXXYPIGTQ-HXUWFJFHSA-N 0 1 377.492 3.276 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)CC1 ZINC000824953542 1426649376 /nfs/dbraw/zinc/64/93/76/1426649376.db2.gz FJUPFHXTWAFWHD-UHFFFAOYSA-N 0 1 381.528 3.205 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC[NH+]1CCC(C)CC1 ZINC000822337272 1426650781 /nfs/dbraw/zinc/65/07/81/1426650781.db2.gz WWAIJVWGOXBMMT-UHFFFAOYSA-N 0 1 379.512 3.069 20 0 GGADMN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3cccc(Cl)c3O)cc12 ZINC000173478431 1426652255 /nfs/dbraw/zinc/65/22/55/1426652255.db2.gz CJLXXIQHIXASMB-VIFPVBQESA-N 0 1 392.868 3.059 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820728636 1426667316 /nfs/dbraw/zinc/66/73/16/1426667316.db2.gz XNASKALKHJYYHV-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820728636 1426667319 /nfs/dbraw/zinc/66/73/19/1426667319.db2.gz XNASKALKHJYYHV-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820728636 1426667323 /nfs/dbraw/zinc/66/73/23/1426667323.db2.gz XNASKALKHJYYHV-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330283 1426668380 /nfs/dbraw/zinc/66/83/80/1426668380.db2.gz NAUJKNAQQQEFPO-FPOVZHCZSA-N 0 1 393.491 3.142 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658307 1426678364 /nfs/dbraw/zinc/67/83/64/1426678364.db2.gz RHUYJVCTKXHUSE-HOCLYGCPSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658307 1426678368 /nfs/dbraw/zinc/67/83/68/1426678368.db2.gz RHUYJVCTKXHUSE-HOCLYGCPSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658307 1426678369 /nfs/dbraw/zinc/67/83/69/1426678369.db2.gz RHUYJVCTKXHUSE-HOCLYGCPSA-N 0 1 396.520 3.053 20 0 GGADMN COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826215073 1426678366 /nfs/dbraw/zinc/67/83/66/1426678366.db2.gz GAJUYWSKWYWRLW-KUHUBIRLSA-N 0 1 379.464 3.467 20 0 GGADMN CCc1ccc([C@H](COC)NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)o1 ZINC000173510351 1426679749 /nfs/dbraw/zinc/67/97/49/1426679749.db2.gz ZBPGEEWMQSSTHO-ROUUACIJSA-N 0 1 377.460 3.271 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)CCN1Cc1ccccc1 ZINC000173513143 1426682803 /nfs/dbraw/zinc/68/28/03/1426682803.db2.gz WLFOIWMAEAYWCL-GOSISDBHSA-N 0 1 375.476 3.004 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822234635 1426687013 /nfs/dbraw/zinc/68/70/13/1426687013.db2.gz BYVIKYHZJYEQSR-HNNXBMFYSA-N 0 1 389.463 3.288 20 0 GGADMN Fc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822791002 1426687396 /nfs/dbraw/zinc/68/73/96/1426687396.db2.gz CWEGOUXCUJCLDV-HXUWFJFHSA-N 0 1 378.455 3.252 20 0 GGADMN CC(=O)N1CCC(CCC(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000173518530 1426691323 /nfs/dbraw/zinc/69/13/23/1426691323.db2.gz NEOOWXBINBUWBL-UHFFFAOYSA-N 0 1 375.860 3.102 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737078512 1426692442 /nfs/dbraw/zinc/69/24/42/1426692442.db2.gz YURLLSUZPPHIGH-UHFFFAOYSA-N 0 1 398.898 3.159 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1 ZINC000173519563 1426692784 /nfs/dbraw/zinc/69/27/84/1426692784.db2.gz QRFIYWOPOQGVKT-GOSISDBHSA-N 0 1 384.549 3.309 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)on2)CCN1Cc1ccccc1 ZINC000173531860 1426705441 /nfs/dbraw/zinc/70/54/41/1426705441.db2.gz UJZUHXCEWVCCAR-QGZVFWFLSA-N 0 1 376.460 3.473 20 0 GGADMN C[C@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CCN1Cc1ccccc1 ZINC000173530718 1426705486 /nfs/dbraw/zinc/70/54/86/1426705486.db2.gz ROMUOUMMVKTHJA-IBGZPJMESA-N 0 1 389.503 3.063 20 0 GGADMN COCc1cccc(S(=O)(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000173531873 1426705633 /nfs/dbraw/zinc/70/56/33/1426705633.db2.gz JDBWORJAYZWZQO-FQEVSTJZSA-N 0 1 388.533 3.118 20 0 GGADMN COC(=O)CCN(Cn1ccn(-c2cccc(C)c2)c1=S)C1CCOCC1 ZINC000173533827 1426709238 /nfs/dbraw/zinc/70/92/38/1426709238.db2.gz ZBFRMPFTIOBARP-UHFFFAOYSA-N 0 1 389.521 3.318 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000820721800 1426709711 /nfs/dbraw/zinc/70/97/11/1426709711.db2.gz BTVNNBGUFLWLBQ-MRXNPFEDSA-N 0 1 378.480 3.199 20 0 GGADMN C[C@@H]1CC[N@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820721800 1426709716 /nfs/dbraw/zinc/70/97/16/1426709716.db2.gz BTVNNBGUFLWLBQ-MRXNPFEDSA-N 0 1 378.480 3.199 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820721800 1426709720 /nfs/dbraw/zinc/70/97/20/1426709720.db2.gz BTVNNBGUFLWLBQ-MRXNPFEDSA-N 0 1 378.480 3.199 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826341366 1426710245 /nfs/dbraw/zinc/71/02/45/1426710245.db2.gz FYVTWAHAUYRYPN-ZJUUUORDSA-N 0 1 390.394 3.033 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ncoc3-c3ccc(C)cc3)n2)cc1 ZINC000173535625 1426711803 /nfs/dbraw/zinc/71/18/03/1426711803.db2.gz GNADZJIBZUYBIB-UHFFFAOYSA-N 0 1 389.415 3.374 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3ncoc3-c3ccc(C)cc3)n[nH]2)cc1 ZINC000173535625 1426711839 /nfs/dbraw/zinc/71/18/39/1426711839.db2.gz GNADZJIBZUYBIB-UHFFFAOYSA-N 0 1 389.415 3.374 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)C2=O)cc1 ZINC000173537167 1426713181 /nfs/dbraw/zinc/71/31/81/1426713181.db2.gz LURNXRZWRGOONO-UGKGYDQZSA-N 0 1 397.563 3.461 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)C2=O)cc1 ZINC000173537207 1426713295 /nfs/dbraw/zinc/71/32/95/1426713295.db2.gz LURNXRZWRGOONO-DENIHFKCSA-N 0 1 397.563 3.461 20 0 GGADMN Cc1nc(-c2cccc(C(=O)N3CCC(CN4CCOCC4)CC3)c2)cs1 ZINC000173540480 1426715558 /nfs/dbraw/zinc/71/55/58/1426715558.db2.gz PBSAFVMZEDXULE-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN CN1CCN(c2cc(CNC(=O)C3CCC(c4ccccc4)CC3)ccn2)CC1 ZINC000173545055 1426719555 /nfs/dbraw/zinc/71/95/55/1426719555.db2.gz IGAPINQAKZXYIC-UHFFFAOYSA-N 0 1 392.547 3.424 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826232257 1426721012 /nfs/dbraw/zinc/72/10/12/1426721012.db2.gz NBBMOTYDMUKEQG-VIFPVBQESA-N 0 1 392.797 3.088 20 0 GGADMN O=C(CCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1)Nc1ccc(Cl)cc1 ZINC000822959340 1426722246 /nfs/dbraw/zinc/72/22/46/1426722246.db2.gz ZAMLDPNAEVUPLD-UHFFFAOYSA-N 0 1 376.873 3.090 20 0 GGADMN CCN(Cc1c([O-])nnn1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173549596 1426722908 /nfs/dbraw/zinc/72/29/08/1426722908.db2.gz MKTUMUGMQWHCHY-HXUWFJFHSA-N 0 1 391.519 3.317 20 0 GGADMN CCN(Cc1c([O-])nnn1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173549596 1426722912 /nfs/dbraw/zinc/72/29/12/1426722912.db2.gz MKTUMUGMQWHCHY-HXUWFJFHSA-N 0 1 391.519 3.317 20 0 GGADMN CC[N@@H+](Cc1c([O-])nnn1-c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173549596 1426722918 /nfs/dbraw/zinc/72/29/18/1426722918.db2.gz MKTUMUGMQWHCHY-HXUWFJFHSA-N 0 1 391.519 3.317 20 0 GGADMN CC[N@H+](Cc1c([O-])nnn1-c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173549596 1426722927 /nfs/dbraw/zinc/72/29/27/1426722927.db2.gz MKTUMUGMQWHCHY-HXUWFJFHSA-N 0 1 391.519 3.317 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@@H]2CCCC[C@@H]12 ZINC000820728615 1426729745 /nfs/dbraw/zinc/72/97/45/1426729745.db2.gz XJSNJXFSFMAVEW-XOKHGSTOSA-N 0 1 379.468 3.317 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000173563865 1426732875 /nfs/dbraw/zinc/73/28/75/1426732875.db2.gz IETCJTOWJIUJTO-LEWJYISDSA-N 0 1 396.539 3.249 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000173592631 1426756847 /nfs/dbraw/zinc/75/68/47/1426756847.db2.gz GWXQOLBWPYNWCT-CQSZACIVSA-N 0 1 391.437 3.137 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC001139094456 1426759171 /nfs/dbraw/zinc/75/91/71/1426759171.db2.gz BYIZEDXADLPIPQ-MRXNPFEDSA-N 0 1 378.480 3.414 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000173601571 1426771891 /nfs/dbraw/zinc/77/18/91/1426771891.db2.gz XEPWSFHRPLMSTN-OAQYLSRUSA-N 0 1 391.531 3.147 20 0 GGADMN COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC000826220399 1426771927 /nfs/dbraw/zinc/77/19/27/1426771927.db2.gz MQZVOLSJAKIUHI-HUUCEWRRSA-N 0 1 396.470 3.192 20 0 GGADMN C[C@H](Cc1ccsc1)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824463703 1426782461 /nfs/dbraw/zinc/78/24/61/1426782461.db2.gz BNQIQRFJSKOFLB-NVPAJSRCSA-N 0 1 384.509 3.234 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000173610472 1426785623 /nfs/dbraw/zinc/78/56/23/1426785623.db2.gz WPYPXZALHGNSOR-KBPBESRZSA-N 0 1 385.430 3.353 20 0 GGADMN CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000824333883 1426786197 /nfs/dbraw/zinc/78/61/97/1426786197.db2.gz PASACMPKFKHPEF-NHCUHLMSSA-N 0 1 393.491 3.355 20 0 GGADMN Cc1ccc([C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)N(C)C)cc1 ZINC000826283837 1426786948 /nfs/dbraw/zinc/78/69/48/1426786948.db2.gz CDKXURSXNXMPQV-NHCUHLMSSA-N 0 1 376.508 3.445 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)c(C)o1 ZINC000173632982 1426803659 /nfs/dbraw/zinc/80/36/59/1426803659.db2.gz WYNBRBBFAKVAIT-IBGZPJMESA-N 0 1 376.884 3.478 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1 ZINC000173633689 1426804150 /nfs/dbraw/zinc/80/41/50/1426804150.db2.gz FBEJOIATDMHQFM-LJQANCHMSA-N 0 1 396.470 3.084 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccc(CC(F)(F)F)cc1)N1CCN(C)CC1 ZINC000173637070 1426805436 /nfs/dbraw/zinc/80/54/36/1426805436.db2.gz KWRWAWNOYKZHPN-KRWDZBQOSA-N 0 1 386.462 3.185 20 0 GGADMN C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824571772 1426810916 /nfs/dbraw/zinc/81/09/16/1426810916.db2.gz RSDRTBMNYLHQIG-LBPRGKRZSA-N 0 1 383.427 3.363 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[C@H](COCc2ccccc2)C1 ZINC000173656539 1426811772 /nfs/dbraw/zinc/81/17/72/1426811772.db2.gz XDNFUKLVVUNCSM-AEFFLSMTSA-N 0 1 382.460 3.281 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000173658721 1426812749 /nfs/dbraw/zinc/81/27/49/1426812749.db2.gz XTDLWVNJFITZAR-SFHVURJKSA-N 0 1 389.503 3.343 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2=O)cc1 ZINC000173663662 1426813827 /nfs/dbraw/zinc/81/38/27/1426813827.db2.gz VFXAPXXUIXMOLY-LJQANCHMSA-N 0 1 398.894 3.160 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000173669197 1426815599 /nfs/dbraw/zinc/81/55/99/1426815599.db2.gz YGZZXBNOMUXMNS-MRXNPFEDSA-N 0 1 383.467 3.425 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C)CN3CCN(C)CC3)cn2)c1C ZINC000173674645 1426817456 /nfs/dbraw/zinc/81/74/56/1426817456.db2.gz GKMHCDSPWDRZOB-KRWDZBQOSA-N 0 1 397.523 3.248 20 0 GGADMN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000173680239 1426819418 /nfs/dbraw/zinc/81/94/18/1426819418.db2.gz LJLOILFAAVUGPD-UHFFFAOYSA-N 0 1 389.390 3.019 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)N1CCN(C)CC1 ZINC000173683407 1426820429 /nfs/dbraw/zinc/82/04/29/1426820429.db2.gz BEMOVWLEDFKFDD-FCEUIQTBSA-N 0 1 386.584 3.094 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)N1CCN(C)CC1 ZINC000173683274 1426820542 /nfs/dbraw/zinc/82/05/42/1426820542.db2.gz RNENFOQTKNSJMD-UIFIKXQLSA-N 0 1 390.547 3.190 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)N1CCN(C)CC1 ZINC000173686097 1426820919 /nfs/dbraw/zinc/82/09/19/1426820919.db2.gz ZZOJSRAZWMAMJW-QMMLZNLJSA-N 0 1 390.547 3.190 20 0 GGADMN O=C(CN1CCC[C@H]1CN1CCOCC1)Nc1ccccc1-c1ccccc1 ZINC000173690295 1426822162 /nfs/dbraw/zinc/82/21/62/1426822162.db2.gz RZMVODWWOILVJJ-FQEVSTJZSA-N 0 1 379.504 3.089 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000173702585 1426825955 /nfs/dbraw/zinc/82/59/55/1426825955.db2.gz YCWJMDOENJWZSE-LJQANCHMSA-N 0 1 396.535 3.161 20 0 GGADMN COc1ccc2sc(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)c(C)c2c1 ZINC000173706609 1426827362 /nfs/dbraw/zinc/82/73/62/1426827362.db2.gz WPKYZSJTEBUFSW-GOSISDBHSA-N 0 1 389.565 3.220 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)n[nH]1 ZINC000173709199 1426828105 /nfs/dbraw/zinc/82/81/05/1426828105.db2.gz YDFPAVGONIOBHX-YJYMSZOUSA-N 0 1 379.464 3.029 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)n[nH]1 ZINC000173709171 1426828244 /nfs/dbraw/zinc/82/82/44/1426828244.db2.gz YDFPAVGONIOBHX-BFUOFWGJSA-N 0 1 379.464 3.029 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N3CCC(c4c[nH]c5cc(F)ccc54)CC3)C2=O)n1 ZINC000173723884 1426831632 /nfs/dbraw/zinc/83/16/32/1426831632.db2.gz HRLWDCSTAISVKP-HXUWFJFHSA-N 0 1 395.482 3.416 20 0 GGADMN Cc1cc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)ccc1OC(C)C ZINC000173724386 1426831752 /nfs/dbraw/zinc/83/17/52/1426831752.db2.gz VUVONCDDPHXUTF-UHFFFAOYSA-N 0 1 397.523 3.251 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCN(C)CC1 ZINC000173726084 1426832427 /nfs/dbraw/zinc/83/24/27/1426832427.db2.gz VACCMCOBEIRBRE-AWEZNQCLSA-N 0 1 391.437 3.137 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737651478 1426833765 /nfs/dbraw/zinc/83/37/65/1426833765.db2.gz UUNNBHQFQKZAIP-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN CCc1cc2oc(=O)cc(CN3CC[C@H](COCCOC)C3)c2cc1Cl ZINC000173731294 1426833808 /nfs/dbraw/zinc/83/38/08/1426833808.db2.gz UYJWRDKBQVSLLT-AWEZNQCLSA-N 0 1 379.884 3.494 20 0 GGADMN COc1cccc([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826214724 1426835736 /nfs/dbraw/zinc/83/57/36/1426835736.db2.gz VKHZZCFAZUGTCL-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824457211 1426836459 /nfs/dbraw/zinc/83/64/59/1426836459.db2.gz HGLHLDJHGPNIIG-FTXHTYHOSA-N 0 1 396.470 3.312 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CC2)N1CCc2ccccc2C1 ZINC000173745169 1426837472 /nfs/dbraw/zinc/83/74/72/1426837472.db2.gz WQPNIISBUFMYSY-OAHLLOKOSA-N 0 1 378.476 3.140 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000173750299 1426839312 /nfs/dbraw/zinc/83/93/12/1426839312.db2.gz ZLXGEMHRRZJAML-HOTGVXAUSA-N 0 1 383.517 3.227 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2CC[C@H](CSc3ccccc3)C2)c1 ZINC000173751269 1426839733 /nfs/dbraw/zinc/83/97/33/1426839733.db2.gz XCUPFKLXHLQLPE-KRWDZBQOSA-N 0 1 397.544 3.441 20 0 GGADMN O=C(CN1CC[C@H](CSc2ccccc2)C1)NCc1ccc2c(c1)OCO2 ZINC000173751384 1426840238 /nfs/dbraw/zinc/84/02/38/1426840238.db2.gz WACGJKIXFZURRF-KRWDZBQOSA-N 0 1 384.501 3.146 20 0 GGADMN COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000173751423 1426840248 /nfs/dbraw/zinc/84/02/48/1426840248.db2.gz XZZFUTHJBJZQAW-INIZCTEOSA-N 0 1 384.501 3.066 20 0 GGADMN CCOC(=O)C1(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000173755052 1426840970 /nfs/dbraw/zinc/84/09/70/1426840970.db2.gz CAYXVDIOADUQFC-UHFFFAOYSA-N 0 1 398.425 3.083 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@@H](C)CC(C)(C)OC)CC2)cc1 ZINC000173757661 1426841560 /nfs/dbraw/zinc/84/15/60/1426841560.db2.gz VXUSZHLSZWPYKI-KRWDZBQOSA-N 0 1 377.529 3.116 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CN(C)CCc3cccs3)cc2)C[C@@H](C)O1 ZINC000173757296 1426841629 /nfs/dbraw/zinc/84/16/29/1426841629.db2.gz SDEBLQWMJDQRGD-IAGOWNOFSA-N 0 1 387.549 3.475 20 0 GGADMN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)oc21 ZINC000173765116 1426844177 /nfs/dbraw/zinc/84/41/77/1426844177.db2.gz BJDICRPYWYHGPG-GDBMZVCRSA-N 0 1 382.464 3.330 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@@](C)(CC)C1 ZINC000173774872 1426847279 /nfs/dbraw/zinc/84/72/79/1426847279.db2.gz WKBKWAJGAZOZJT-HXUWFJFHSA-N 0 1 392.569 3.319 20 0 GGADMN Cc1ccc(C[C@@H](N[C@H]2CCCN(c3cnn(C)c3)C2=O)c2ccccn2)cc1 ZINC000173778010 1426848781 /nfs/dbraw/zinc/84/87/81/1426848781.db2.gz KEBUDXSYAFIZIR-FCHUYYIVSA-N 0 1 389.503 3.193 20 0 GGADMN COC(=O)[C@@H](NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1F ZINC000173801387 1426855103 /nfs/dbraw/zinc/85/51/03/1426855103.db2.gz IXEHAFRDBBLDON-SFTDATJTSA-N 0 1 386.467 3.475 20 0 GGADMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000173802289 1426855528 /nfs/dbraw/zinc/85/55/28/1426855528.db2.gz WKGZWXUXGNWQSK-MAUKXSAKSA-N 0 1 386.496 3.064 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@H]3SCCc4sccc43)c2)CC1 ZINC000173805383 1426855902 /nfs/dbraw/zinc/85/59/02/1426855902.db2.gz JKBADTWVMIGDJF-IBGZPJMESA-N 0 1 387.574 3.465 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@H]3SCCc4ccccc43)c2)CC1 ZINC000173805411 1426855930 /nfs/dbraw/zinc/85/59/30/1426855930.db2.gz GIIGJTJDAOCWOB-NRFANRHFSA-N 0 1 381.545 3.403 20 0 GGADMN Fc1cc(Br)ccc1CCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000822748386 1426857782 /nfs/dbraw/zinc/85/77/82/1426857782.db2.gz WRRRSOIUUMHMST-UHFFFAOYSA-N 0 1 380.221 3.084 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CCN1Cc1ccccc1 ZINC000173817126 1426858991 /nfs/dbraw/zinc/85/89/91/1426858991.db2.gz PNAHDJQILIOLGT-QGZVFWFLSA-N 0 1 390.487 3.229 20 0 GGADMN C[C@@](O)(CNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccco1 ZINC000173816190 1426859044 /nfs/dbraw/zinc/85/90/44/1426859044.db2.gz NMOWLWKPNQSYBJ-FXAWDEMLSA-N 0 1 391.899 3.277 20 0 GGADMN COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C)c1 ZINC000173815934 1426859259 /nfs/dbraw/zinc/85/92/59/1426859259.db2.gz RJUQUWUXJCYZIF-GOSISDBHSA-N 0 1 395.503 3.065 20 0 GGADMN O=C(CN1CCC2(CCCC2)C1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000173824775 1426861392 /nfs/dbraw/zinc/86/13/92/1426861392.db2.gz QANNSUMYFKEDNH-UHFFFAOYSA-N 0 1 387.549 3.080 20 0 GGADMN Cc1cc(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822200914 1426864110 /nfs/dbraw/zinc/86/41/10/1426864110.db2.gz INHAXZVUOJDIMQ-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN CC(C)CCC1CC[NH+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000820072547 1426869160 /nfs/dbraw/zinc/86/91/60/1426869160.db2.gz JGLHIZGFUBBALB-UHFFFAOYSA-N 0 1 376.530 3.405 20 0 GGADMN CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825416519 1426873102 /nfs/dbraw/zinc/87/31/02/1426873102.db2.gz JUSNQZSVXZUULR-UHFFFAOYSA-N 0 1 398.898 3.292 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1 ZINC000173865234 1426875101 /nfs/dbraw/zinc/87/51/01/1426875101.db2.gz OFVACWIEMXFFBS-CHWSQXEVSA-N 0 1 377.510 3.046 20 0 GGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000821015066 1426875480 /nfs/dbraw/zinc/87/54/80/1426875480.db2.gz NUMSOCNXSKRSJP-KBXCAEBGSA-N 0 1 380.500 3.292 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000173867384 1426876415 /nfs/dbraw/zinc/87/64/15/1426876415.db2.gz SSEPMNXMGIEZIA-HUUCEWRRSA-N 0 1 393.944 3.465 20 0 GGADMN FCCOc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826370179 1426876968 /nfs/dbraw/zinc/87/69/68/1426876968.db2.gz HIDNRRCRIBVVJQ-UHFFFAOYSA-N 0 1 396.470 3.292 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1)c1ccco1 ZINC000173869142 1426876830 /nfs/dbraw/zinc/87/68/30/1426876830.db2.gz XXMOJBYWHHRZEC-PMACEKPBSA-N 0 1 397.519 3.278 20 0 GGADMN COc1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)c(OC)c1OC ZINC000173869263 1426876924 /nfs/dbraw/zinc/87/69/24/1426876924.db2.gz BLGRYJOELYNYMB-LJQANCHMSA-N 0 1 398.503 3.383 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000173872253 1426877635 /nfs/dbraw/zinc/87/76/35/1426877635.db2.gz YDQBUBAQZMNLAU-LJQANCHMSA-N 0 1 396.535 3.258 20 0 GGADMN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173875870 1426878501 /nfs/dbraw/zinc/87/85/01/1426878501.db2.gz ITOSAHWLYJVENC-INIZCTEOSA-N 0 1 388.462 3.092 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737546600 1426879593 /nfs/dbraw/zinc/87/95/93/1426879593.db2.gz DMEQCNYQOBVGSK-IFIJOSMWSA-N 0 1 394.479 3.282 20 0 GGADMN CC(=O)N1CCC(CCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1 ZINC000173883069 1426880629 /nfs/dbraw/zinc/88/06/29/1426880629.db2.gz UAXWWWMLSOTAGR-LJQANCHMSA-N 0 1 384.480 3.392 20 0 GGADMN OCCN(Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)c1cccc(Cl)c1 ZINC000173887296 1426881676 /nfs/dbraw/zinc/88/16/76/1426881676.db2.gz YSKRTPGSKCZFEJ-OAQYLSRUSA-N 0 1 385.895 3.113 20 0 GGADMN OCCN(Cc1cnn(Cc2ccccc2)c1)C[C@H](O)c1cccc(Cl)c1 ZINC000173887277 1426881925 /nfs/dbraw/zinc/88/19/25/1426881925.db2.gz YSKRTPGSKCZFEJ-NRFANRHFSA-N 0 1 385.895 3.113 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000173889722 1426882338 /nfs/dbraw/zinc/88/23/38/1426882338.db2.gz PIPDGVSYCLHOGK-UHFFFAOYSA-N 0 1 396.504 3.096 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000173895419 1426883646 /nfs/dbraw/zinc/88/36/46/1426883646.db2.gz SLWBEDZGNYRANO-UHFFFAOYSA-N 0 1 375.476 3.228 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(OC(F)(F)F)cc3)C2=O)n(C)n1 ZINC000173897946 1426884192 /nfs/dbraw/zinc/88/41/92/1426884192.db2.gz BMNBVZWAOCGXMK-DOMZBBRYSA-N 0 1 382.386 3.083 20 0 GGADMN CN(C)c1cccc([C@@H]2CCCN2Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173900111 1426884928 /nfs/dbraw/zinc/88/49/28/1426884928.db2.gz LBQFDAOXOCZASP-NRFANRHFSA-N 0 1 387.549 3.340 20 0 GGADMN CN(C)c1cccc([C@@H]2CCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000173901174 1426885675 /nfs/dbraw/zinc/88/56/75/1426885675.db2.gz KKRCWZYUAQUVKN-SFTDATJTSA-N 0 1 388.533 3.027 20 0 GGADMN O=C(CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822965071 1426888433 /nfs/dbraw/zinc/88/84/33/1426888433.db2.gz ZCAROMRFRGMRGR-KRWDZBQOSA-N 0 1 382.855 3.296 20 0 GGADMN O=C(CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822965071 1426888436 /nfs/dbraw/zinc/88/84/36/1426888436.db2.gz ZCAROMRFRGMRGR-KRWDZBQOSA-N 0 1 382.855 3.296 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000173920663 1426892653 /nfs/dbraw/zinc/89/26/53/1426892653.db2.gz PHWCXIJYIALZSJ-GJZGRUSLSA-N 0 1 396.557 3.002 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(-c3cccs3)[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000173924950 1426894274 /nfs/dbraw/zinc/89/42/74/1426894274.db2.gz HKSGLBAPAHLTJT-LBPRGKRZSA-N 0 1 376.482 3.220 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)cc1-c1nn[n-]n1 ZINC000826202822 1426896461 /nfs/dbraw/zinc/89/64/61/1426896461.db2.gz ONFPTCUBDSCCAJ-UHFFFAOYSA-N 0 1 379.464 3.269 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000173936414 1426898757 /nfs/dbraw/zinc/89/87/57/1426898757.db2.gz GQMNMBZJESYWSI-IAGOWNOFSA-N 0 1 393.532 3.033 20 0 GGADMN COc1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc2n1 ZINC000173953027 1426907372 /nfs/dbraw/zinc/90/73/72/1426907372.db2.gz HNHISIBLRHHMAG-LJQANCHMSA-N 0 1 394.475 3.473 20 0 GGADMN COc1cc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2n1 ZINC000173953017 1426907476 /nfs/dbraw/zinc/90/74/76/1426907476.db2.gz HNHISIBLRHHMAG-IBGZPJMESA-N 0 1 394.475 3.473 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CCOc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000737088675 1426908040 /nfs/dbraw/zinc/90/80/40/1426908040.db2.gz SKNIWYSHOWHMTM-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737088675 1426908041 /nfs/dbraw/zinc/90/80/41/1426908041.db2.gz SKNIWYSHOWHMTM-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737088675 1426908042 /nfs/dbraw/zinc/90/80/42/1426908042.db2.gz SKNIWYSHOWHMTM-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1cccc(O[C@H](C)CNC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000173959034 1426910059 /nfs/dbraw/zinc/91/00/59/1426910059.db2.gz LERGXYUACFVMDD-RHSMWYFYSA-N 0 1 377.510 3.126 20 0 GGADMN Cc1ccc(C(C)(C)CN(C)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000173963463 1426913070 /nfs/dbraw/zinc/91/30/70/1426913070.db2.gz KTYIWUIHVQHQQR-UHFFFAOYSA-N 0 1 399.579 3.065 20 0 GGADMN CCNC(=O)c1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000173964192 1426913099 /nfs/dbraw/zinc/91/30/99/1426913099.db2.gz YOEZTCDYXZMMES-OAQYLSRUSA-N 0 1 379.504 3.107 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)Oc1ccccc1F ZINC000173970225 1426915588 /nfs/dbraw/zinc/91/55/88/1426915588.db2.gz ZLMUXWDPTLQDFO-WBVHZDCISA-N 0 1 375.444 3.322 20 0 GGADMN C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821625303 1426919329 /nfs/dbraw/zinc/91/93/29/1426919329.db2.gz KRMGXTOQXJUBPJ-INIZCTEOSA-N 0 1 396.426 3.221 20 0 GGADMN C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821625303 1426919332 /nfs/dbraw/zinc/91/93/32/1426919332.db2.gz KRMGXTOQXJUBPJ-INIZCTEOSA-N 0 1 396.426 3.221 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000173980882 1426924882 /nfs/dbraw/zinc/92/48/82/1426924882.db2.gz RYEVUMYDMNSOLM-LSDHHAIUSA-N 0 1 377.510 3.126 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000826168685 1426925739 /nfs/dbraw/zinc/92/57/39/1426925739.db2.gz VDILJOPSWVMGBX-SXGZJXTBSA-N 0 1 379.464 3.226 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000826168685 1426925741 /nfs/dbraw/zinc/92/57/41/1426925741.db2.gz VDILJOPSWVMGBX-SXGZJXTBSA-N 0 1 379.464 3.226 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN1CC[C@H](COCc2ccccc2)C1 ZINC000173983707 1426925879 /nfs/dbraw/zinc/92/58/79/1426925879.db2.gz KMIDJXIQTPATLL-ICSRJNTNSA-N 0 1 382.504 3.411 20 0 GGADMN Cc1ccc(N2CC[C@H](Nc3ccc(CCN4CCOCC4)cc3)C2=O)cc1 ZINC000173983359 1426925926 /nfs/dbraw/zinc/92/59/26/1426925926.db2.gz AEVFSIBOGKPNLG-QFIPXVFZSA-N 0 1 379.504 3.087 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000173993411 1426930910 /nfs/dbraw/zinc/93/09/10/1426930910.db2.gz ILWZUPQCRDWLBS-SFHVURJKSA-N 0 1 399.560 3.464 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000173994385 1426931412 /nfs/dbraw/zinc/93/14/12/1426931412.db2.gz GBNWOTJVPDCJDW-QFIPXVFZSA-N 0 1 393.531 3.497 20 0 GGADMN Cc1csc([C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C2CC2)n1 ZINC000174001641 1426935269 /nfs/dbraw/zinc/93/52/69/1426935269.db2.gz IMNIAEIRTHNCQS-LJQANCHMSA-N 0 1 384.549 3.080 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361391 1426935271 /nfs/dbraw/zinc/93/52/71/1426935271.db2.gz VTGUPHOERFIARO-DKSSEZFCSA-N 0 1 377.496 3.326 20 0 GGADMN CC[NH+](CC)CCSc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000736530511 1426940914 /nfs/dbraw/zinc/94/09/14/1426940914.db2.gz JDCDHMHZWBSRJW-UHFFFAOYSA-N 0 1 381.509 3.410 20 0 GGADMN C[C@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)N1CCc2ccccc2C1 ZINC000174009450 1426941494 /nfs/dbraw/zinc/94/14/94/1426941494.db2.gz CCMLYRPONYLNDA-LJQANCHMSA-N 0 1 390.531 3.309 20 0 GGADMN c1ccc2c(c1)cncc2C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826517724 1426942955 /nfs/dbraw/zinc/94/29/55/1426942955.db2.gz MUNVRDZNADPDQB-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN COC(=O)c1cc(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)oc1C ZINC000174020727 1426948525 /nfs/dbraw/zinc/94/85/25/1426948525.db2.gz IEMKCFSQIOCMPW-INIZCTEOSA-N 0 1 399.491 3.181 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Br)nc1 ZINC000174026129 1426952931 /nfs/dbraw/zinc/95/29/31/1426952931.db2.gz IHJLOVCWSRJQRM-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN CN(C)C(=O)COc1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000174026350 1426952954 /nfs/dbraw/zinc/95/29/54/1426952954.db2.gz NWNKSVYQCYAPKB-NRFANRHFSA-N 0 1 395.503 3.147 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000174032304 1426955923 /nfs/dbraw/zinc/95/59/23/1426955923.db2.gz JJJJYIOTWTZLQJ-OAHLLOKOSA-N 0 1 392.446 3.476 20 0 GGADMN CCCOCc1ccccc1CNC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174032523 1426956013 /nfs/dbraw/zinc/95/60/13/1426956013.db2.gz VHSWDOQKAICMEP-UHFFFAOYSA-N 0 1 395.547 3.291 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000174032291 1426956269 /nfs/dbraw/zinc/95/62/69/1426956269.db2.gz JJJJYIOTWTZLQJ-HNNXBMFYSA-N 0 1 392.446 3.476 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NS(=O)(=O)c3cccc(F)c3F)n2)c1 ZINC000174033791 1426957007 /nfs/dbraw/zinc/95/70/07/1426957007.db2.gz XPBIBQMBJWXVLA-SNVBAGLBSA-N 0 1 395.387 3.063 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000174033438 1426957274 /nfs/dbraw/zinc/95/72/74/1426957274.db2.gz SOSSEFCECBOMRZ-QGZVFWFLSA-N 0 1 395.503 3.324 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000174033438 1426957278 /nfs/dbraw/zinc/95/72/78/1426957278.db2.gz SOSSEFCECBOMRZ-QGZVFWFLSA-N 0 1 395.503 3.324 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)CC1 ZINC000174036504 1426960051 /nfs/dbraw/zinc/96/00/51/1426960051.db2.gz CJXAZFNIDBFBFW-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000174038371 1426961175 /nfs/dbraw/zinc/96/11/75/1426961175.db2.gz PCTHTGWLPBNDGH-IBGZPJMESA-N 0 1 386.517 3.032 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3nccc4ccccc43)cc2)CC1 ZINC000174041889 1426964075 /nfs/dbraw/zinc/96/40/75/1426964075.db2.gz JZFBCPGDUMDGKG-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN CCC(CC)c1cc(CNC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)on1 ZINC000174041680 1426964561 /nfs/dbraw/zinc/96/45/61/1426964561.db2.gz GFRWNKQCXKGUBB-UHFFFAOYSA-N 0 1 385.468 3.192 20 0 GGADMN CCCCS[C@H](C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174041812 1426964809 /nfs/dbraw/zinc/96/48/09/1426964809.db2.gz BVNGUZDNBMPTPS-QGZVFWFLSA-N 0 1 379.570 3.173 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)CC1 ZINC000174042390 1426965442 /nfs/dbraw/zinc/96/54/42/1426965442.db2.gz LHYKAMJRNLQHQK-BJMVGYQFSA-N 0 1 383.467 3.104 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000174042963 1426966053 /nfs/dbraw/zinc/96/60/53/1426966053.db2.gz JGRXBNIKCMUUKR-QFIPXVFZSA-N 0 1 381.520 3.445 20 0 GGADMN Cc1ccccc1C1(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1 ZINC000174045969 1426969450 /nfs/dbraw/zinc/96/94/50/1426969450.db2.gz KMPJUYYPFYOTJS-UHFFFAOYSA-N 0 1 393.531 3.292 20 0 GGADMN Cc1ccc2oc(C(=O)Nc3ccc(OCCN4CCN(C)CC4)cc3)cc2n1 ZINC000174047354 1426970358 /nfs/dbraw/zinc/97/03/58/1426970358.db2.gz NRJUTHIMNMNLKH-UHFFFAOYSA-N 0 1 394.475 3.015 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736134376 1426971415 /nfs/dbraw/zinc/97/14/15/1426971415.db2.gz UHTOGMDGUYPTQV-ZBEGNZNMSA-N 0 1 388.269 3.013 20 0 GGADMN C[C@H]1CCc2ccccc2N1CCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000174050177 1426971812 /nfs/dbraw/zinc/97/18/12/1426971812.db2.gz BUASNXSNZMAGQK-IBGZPJMESA-N 0 1 392.547 3.394 20 0 GGADMN CN(C(=O)c1cccnc1-n1cccn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051142 1426973043 /nfs/dbraw/zinc/97/30/43/1426973043.db2.gz UHUKNJMQWJGNCT-IBGZPJMESA-N 0 1 375.476 3.004 20 0 GGADMN CCCN1Cc2cccc(N[C@@H]3CCN(c4sccc4C(=O)OC)C3=O)c2C1 ZINC000174055327 1426975977 /nfs/dbraw/zinc/97/59/77/1426975977.db2.gz MJAZUSXJUGCKGN-GOSISDBHSA-N 0 1 399.516 3.478 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(NC(=O)CSc2nnc(C)[nH]2)cc1Cl ZINC000174082758 1426992503 /nfs/dbraw/zinc/99/25/03/1426992503.db2.gz ASZLEINLQSGRJZ-UHFFFAOYSA-N 0 1 395.916 3.416 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1Cl ZINC000174082758 1426992507 /nfs/dbraw/zinc/99/25/07/1426992507.db2.gz ASZLEINLQSGRJZ-UHFFFAOYSA-N 0 1 395.916 3.416 20 0 GGADMN CC(C)c1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)nn1C ZINC000174083320 1426992870 /nfs/dbraw/zinc/99/28/70/1426992870.db2.gz ROTSXCQYKCZMKE-IAGOWNOFSA-N 0 1 384.524 3.083 20 0 GGADMN O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823672133 1426992934 /nfs/dbraw/zinc/99/29/34/1426992934.db2.gz BDSSLTNQBZCCAM-IBGZPJMESA-N 0 1 393.422 3.335 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823672133 1426992939 /nfs/dbraw/zinc/99/29/39/1426992939.db2.gz BDSSLTNQBZCCAM-IBGZPJMESA-N 0 1 393.422 3.335 20 0 GGADMN CC(C)c1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)nn1C ZINC000174083307 1426993312 /nfs/dbraw/zinc/99/33/12/1426993312.db2.gz ROTSXCQYKCZMKE-IRXDYDNUSA-N 0 1 384.524 3.083 20 0 GGADMN C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000174083180 1426993453 /nfs/dbraw/zinc/99/34/53/1426993453.db2.gz JGNSOXYEWSXQNR-MRXNPFEDSA-N 0 1 393.940 3.161 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000174086813 1426994796 /nfs/dbraw/zinc/99/47/96/1426994796.db2.gz IRGJTJBAFUHJDC-IBGZPJMESA-N 0 1 394.441 3.108 20 0 GGADMN Cc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cnn1-c1ccccc1F ZINC000174092233 1426997477 /nfs/dbraw/zinc/99/74/77/1426997477.db2.gz GLEONKPNAHEEIW-UHFFFAOYSA-N 0 1 393.422 3.492 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(NC=O)cc1)N1CCCCC1 ZINC000174093292 1426998153 /nfs/dbraw/zinc/99/81/53/1426998153.db2.gz KVHVUJBCRQYHKO-HXUWFJFHSA-N 0 1 381.476 3.221 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[nH]1 ZINC000174095513 1426999904 /nfs/dbraw/zinc/99/99/04/1426999904.db2.gz DHKNVDIQDSILFC-UHFFFAOYSA-N 0 1 395.488 3.049 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)n1 ZINC000174095513 1426999911 /nfs/dbraw/zinc/99/99/11/1426999911.db2.gz DHKNVDIQDSILFC-UHFFFAOYSA-N 0 1 395.488 3.049 20 0 GGADMN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc21 ZINC000174098795 1427001327 /nfs/dbraw/zinc/00/13/27/1427001327.db2.gz BGXHHJTYTYGDRQ-UHFFFAOYSA-N 0 1 379.445 3.091 20 0 GGADMN Cc1ccccc1[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826306300 1427002750 /nfs/dbraw/zinc/00/27/50/1427002750.db2.gz VPKKPIJSRGBQPD-FXAWDEMLSA-N 0 1 395.507 3.292 20 0 GGADMN COCCOC[C@H]1CCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000174104976 1427004113 /nfs/dbraw/zinc/00/41/13/1427004113.db2.gz UVYFLEQSSDHTAP-HNNXBMFYSA-N 0 1 392.521 3.312 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000174110446 1427006508 /nfs/dbraw/zinc/00/65/08/1427006508.db2.gz XWSJOCGIHIANSH-CYBMUJFWSA-N 0 1 385.386 3.240 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174112120 1427007398 /nfs/dbraw/zinc/00/73/98/1427007398.db2.gz NXMGZPUECHDIAB-GBESFXJTSA-N 0 1 385.512 3.486 20 0 GGADMN NC(=NOCc1ccc(F)cc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000174127823 1427013810 /nfs/dbraw/zinc/01/38/10/1427013810.db2.gz RSJJEVDPHYKLBU-UHFFFAOYSA-N 0 1 377.847 3.277 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)[nH]1 ZINC000174136965 1427017798 /nfs/dbraw/zinc/01/77/98/1427017798.db2.gz CQKZZWJIHLIKTP-UHFFFAOYSA-N 0 1 381.461 3.405 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)n1 ZINC000174136965 1427017801 /nfs/dbraw/zinc/01/78/01/1427017801.db2.gz CQKZZWJIHLIKTP-UHFFFAOYSA-N 0 1 381.461 3.405 20 0 GGADMN CC[NH+](CC)[C@@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000174151417 1427022857 /nfs/dbraw/zinc/02/28/57/1427022857.db2.gz NIWUBTZCMDRRSN-QGZVFWFLSA-N 0 1 387.553 3.249 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C=Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342177 1427024315 /nfs/dbraw/zinc/02/43/15/1427024315.db2.gz ZXJHKBGWZASIPT-SXSDINLZSA-N 0 1 392.463 3.193 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C=Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342177 1427024319 /nfs/dbraw/zinc/02/43/19/1427024319.db2.gz ZXJHKBGWZASIPT-SXSDINLZSA-N 0 1 392.463 3.193 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001139089445 1427024663 /nfs/dbraw/zinc/02/46/63/1427024663.db2.gz NBPCFSLIRFVBGU-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001139089445 1427024667 /nfs/dbraw/zinc/02/46/67/1427024667.db2.gz NBPCFSLIRFVBGU-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001139089445 1427024672 /nfs/dbraw/zinc/02/46/72/1427024672.db2.gz NBPCFSLIRFVBGU-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[C@H](O)C1)N1CCCCC1 ZINC000174158546 1427025225 /nfs/dbraw/zinc/02/52/25/1427025225.db2.gz LFTXZFOLQIKZJV-HBFSDRIKSA-N 0 1 389.540 3.073 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000174159661 1427025779 /nfs/dbraw/zinc/02/57/79/1427025779.db2.gz ROLYOLMWWBAFAN-MRXNPFEDSA-N 0 1 396.507 3.031 20 0 GGADMN CO[C@@H](CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(F)cc1 ZINC000174159973 1427026026 /nfs/dbraw/zinc/02/60/26/1427026026.db2.gz DVJRBUXYXBIQJH-MOPGFXCFSA-N 0 1 377.435 3.254 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000174161852 1427027152 /nfs/dbraw/zinc/02/71/52/1427027152.db2.gz IQOUUNGNVLEYJP-UHFFFAOYSA-N 0 1 376.342 3.234 20 0 GGADMN COC(=O)c1ccsc1N1CC[C@H](N[C@@H](c2ncccc2C)C(C)C)C1=O ZINC000174161310 1427027163 /nfs/dbraw/zinc/02/71/63/1427027163.db2.gz WACARBOLRYKYOZ-JKSUJKDBSA-N 0 1 387.505 3.330 20 0 GGADMN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)Cc1nnc[nH]1 ZINC000174162495 1427028225 /nfs/dbraw/zinc/02/82/25/1427028225.db2.gz QHCJZHTZBIIMML-NSHDSACASA-N 0 1 391.884 3.393 20 0 GGADMN C[C@@H](CC(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccccc1C(F)(F)F ZINC000174164346 1427028438 /nfs/dbraw/zinc/02/84/38/1427028438.db2.gz YEBKQXKFDZIRMT-JKSUJKDBSA-N 0 1 384.442 3.380 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000735564504 1427029078 /nfs/dbraw/zinc/02/90/78/1427029078.db2.gz XVEJWNIAUPJMCX-AWEZNQCLSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H](CC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174169270 1427030546 /nfs/dbraw/zinc/03/05/46/1427030546.db2.gz NJTAYFCVMNWFSQ-CVEARBPZSA-N 0 1 384.442 3.380 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2)o1 ZINC000174171045 1427031925 /nfs/dbraw/zinc/03/19/25/1427031925.db2.gz GBIBVLMDUHHZHH-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174173423 1427032879 /nfs/dbraw/zinc/03/28/79/1427032879.db2.gz RSSFUAXEPDPGOP-KRWDZBQOSA-N 0 1 386.467 3.199 20 0 GGADMN CC(C)(C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174177539 1427034480 /nfs/dbraw/zinc/03/44/80/1427034480.db2.gz OBJJDLIIJNYYLS-HNNXBMFYSA-N 0 1 384.442 3.164 20 0 GGADMN C/C(=C\C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000174178372 1427035466 /nfs/dbraw/zinc/03/54/66/1427035466.db2.gz MBKHWNGYZVUNSN-STTHAQSSSA-N 0 1 382.426 3.289 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1cccs1 ZINC000174184734 1427037333 /nfs/dbraw/zinc/03/73/33/1427037333.db2.gz IIFRTFJLCLUTDZ-INIZCTEOSA-N 0 1 387.509 3.092 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174184813 1427037456 /nfs/dbraw/zinc/03/74/56/1427037456.db2.gz JOBDZMYCHYJVJP-LEWJYISDSA-N 0 1 399.514 3.470 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(N2CCCNC2=O)c1 ZINC000174185326 1427037686 /nfs/dbraw/zinc/03/76/86/1427037686.db2.gz UHDWJCUMUGQCNI-GOSISDBHSA-N 0 1 397.479 3.158 20 0 GGADMN C[C@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccccc2)CO1 ZINC000820758771 1427040415 /nfs/dbraw/zinc/04/04/15/1427040415.db2.gz CROABCWJJVMSHE-OXJNMPFZSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccccc2)CO1 ZINC000820758771 1427040422 /nfs/dbraw/zinc/04/04/22/1427040422.db2.gz CROABCWJJVMSHE-OXJNMPFZSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820420437 1427040525 /nfs/dbraw/zinc/04/05/25/1427040525.db2.gz QXBAGDKKBGIYIM-BDJLRTHQSA-N 0 1 377.370 3.270 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1cccc(F)c1 ZINC000174194196 1427043531 /nfs/dbraw/zinc/04/35/31/1427043531.db2.gz JVOLHNUPALZPMN-IBGZPJMESA-N 0 1 399.470 3.170 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[C@H](CC(C)C)C1 ZINC000174195161 1427044181 /nfs/dbraw/zinc/04/41/81/1427044181.db2.gz ZMNOIODICZUTKW-MRXNPFEDSA-N 0 1 392.569 3.175 20 0 GGADMN O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](CN2CCOCC2)C1 ZINC000174195654 1427044945 /nfs/dbraw/zinc/04/49/45/1427044945.db2.gz XNXARPXYRCPZSG-QGZVFWFLSA-N 0 1 378.472 3.105 20 0 GGADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000174199096 1427046119 /nfs/dbraw/zinc/04/61/19/1427046119.db2.gz ACCBMEZVNQOPQN-HXPMCKFVSA-N 0 1 385.430 3.059 20 0 GGADMN CCC(CC)c1nnc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)s1 ZINC000174198752 1427046146 /nfs/dbraw/zinc/04/61/46/1427046146.db2.gz CYJQWAVBPYYZIT-UHFFFAOYSA-N 0 1 387.553 3.441 20 0 GGADMN O=C(N1CC[C@H](CN2CCOCC2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000174200808 1427046954 /nfs/dbraw/zinc/04/69/54/1427046954.db2.gz XPBKGMQPNLVUDH-QGZVFWFLSA-N 0 1 376.928 3.333 20 0 GGADMN CC(C)(C)c1ccc(OCCCC(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000174202141 1427047710 /nfs/dbraw/zinc/04/77/10/1427047710.db2.gz VROIHYFIRUHOJR-LJQANCHMSA-N 0 1 388.552 3.324 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174206752 1427050494 /nfs/dbraw/zinc/05/04/94/1427050494.db2.gz HUKQAYGGFXNMBE-WBVHZDCISA-N 0 1 384.442 3.065 20 0 GGADMN COc1ccc2cc([C@H](C)C(=O)N3CC[C@@H](CN4CCOCC4)C3)ccc2c1 ZINC000174208302 1427051201 /nfs/dbraw/zinc/05/12/01/1427051201.db2.gz LSDYYOCJGAILOV-ROUUACIJSA-N 0 1 382.504 3.133 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)n1 ZINC000174213613 1427054776 /nfs/dbraw/zinc/05/47/76/1427054776.db2.gz GHQSHYZUIFIVMV-LBPRGKRZSA-N 0 1 382.395 3.467 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)o1 ZINC000174217995 1427055979 /nfs/dbraw/zinc/05/59/79/1427055979.db2.gz DKJHFOWVYMEYAA-UHFFFAOYSA-N 0 1 382.386 3.314 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[nH]1 ZINC000174228096 1427059766 /nfs/dbraw/zinc/05/97/66/1427059766.db2.gz NOJHYVZBZATZOK-UHFFFAOYSA-N 0 1 396.398 3.439 20 0 GGADMN Cc1nnc(SCC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[nH]1 ZINC000174228049 1427059870 /nfs/dbraw/zinc/05/98/70/1427059870.db2.gz XLTOPRWIYRBLGV-UHFFFAOYSA-N 0 1 387.553 3.288 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000174228049 1427059877 /nfs/dbraw/zinc/05/98/77/1427059877.db2.gz XLTOPRWIYRBLGV-UHFFFAOYSA-N 0 1 387.553 3.288 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[nH]1 ZINC000174228110 1427059943 /nfs/dbraw/zinc/05/99/43/1427059943.db2.gz SPOSVYVCIXNSQD-UHFFFAOYSA-N 0 1 382.371 3.048 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)n1 ZINC000174228110 1427059952 /nfs/dbraw/zinc/05/99/52/1427059952.db2.gz SPOSVYVCIXNSQD-UHFFFAOYSA-N 0 1 382.371 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@@H]1c1ccccc1 ZINC000174228718 1427060235 /nfs/dbraw/zinc/06/02/35/1427060235.db2.gz UPFCPCLMYQMPRP-PBHICJAKSA-N 0 1 393.512 3.488 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737033167 1427063694 /nfs/dbraw/zinc/06/36/94/1427063694.db2.gz REHYAWXDLAFGJQ-WMZOPIPTSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737033167 1427063699 /nfs/dbraw/zinc/06/36/99/1427063699.db2.gz REHYAWXDLAFGJQ-WMZOPIPTSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000737033167 1427063704 /nfs/dbraw/zinc/06/37/04/1427063704.db2.gz REHYAWXDLAFGJQ-WMZOPIPTSA-N 0 1 393.491 3.441 20 0 GGADMN CC[C@@H](C)Oc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000174244105 1427067171 /nfs/dbraw/zinc/06/71/71/1427067171.db2.gz UZRXUKCGCGATHR-GOSISDBHSA-N 0 1 382.508 3.410 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H]1CCc2c1cccc2Cl ZINC000174248150 1427068900 /nfs/dbraw/zinc/06/89/00/1427068900.db2.gz VAFXHJCXKSXJBE-LJQANCHMSA-N 0 1 384.911 3.051 20 0 GGADMN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc21 ZINC000174254465 1427071337 /nfs/dbraw/zinc/07/13/37/1427071337.db2.gz AAZDUCAEYWYUDX-UHFFFAOYSA-N 0 1 396.472 3.128 20 0 GGADMN COCc1ccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000174260711 1427073679 /nfs/dbraw/zinc/07/36/79/1427073679.db2.gz KVORKXCLWUQVNE-UHFFFAOYSA-N 0 1 388.533 3.297 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(CN2CCN(C)CC2)c1)C(=O)c1cccc(F)c1 ZINC000174263193 1427074952 /nfs/dbraw/zinc/07/49/52/1427074952.db2.gz ZLPQXHTYUJLXQM-QGZVFWFLSA-N 0 1 397.494 3.421 20 0 GGADMN O=C(CC1(O)CCCC1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000174264428 1427075078 /nfs/dbraw/zinc/07/50/78/1427075078.db2.gz ZTQVENMHKRHKSX-UHFFFAOYSA-N 0 1 394.519 3.038 20 0 GGADMN COc1ccc([C@H](NC(=O)CSc2nnc(C)[nH]2)c2ccc(F)cc2)cc1 ZINC000174264751 1427075126 /nfs/dbraw/zinc/07/51/26/1427075126.db2.gz ACYJPFUCIVIIGM-GOSISDBHSA-N 0 1 386.452 3.259 20 0 GGADMN COc1ccc([C@H](NC(=O)CSc2nc(C)n[nH]2)c2ccc(F)cc2)cc1 ZINC000174264751 1427075131 /nfs/dbraw/zinc/07/51/31/1427075131.db2.gz ACYJPFUCIVIIGM-GOSISDBHSA-N 0 1 386.452 3.259 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737420618 1427075150 /nfs/dbraw/zinc/07/51/50/1427075150.db2.gz KMZUZGHPTAIDFJ-GVDBMIGSSA-N 0 1 390.491 3.380 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)o1 ZINC000174264376 1427075210 /nfs/dbraw/zinc/07/52/10/1427075210.db2.gz IKYZLQAGBDEIFP-UHFFFAOYSA-N 0 1 391.475 3.261 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(CN2CCN(C)CC2)c1)C(=O)c1cccc(F)c1 ZINC000174263181 1427075218 /nfs/dbraw/zinc/07/52/18/1427075218.db2.gz ZLPQXHTYUJLXQM-KRWDZBQOSA-N 0 1 397.494 3.421 20 0 GGADMN C[C@@H](CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C[C@H](C)O ZINC000174279321 1427082261 /nfs/dbraw/zinc/08/22/61/1427082261.db2.gz USAKGMSUWGCZJJ-CABCVRRESA-N 0 1 391.537 3.143 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737428953 1427083644 /nfs/dbraw/zinc/08/36/44/1427083644.db2.gz YZVWXIWROVLQCI-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737428953 1427083648 /nfs/dbraw/zinc/08/36/48/1427083648.db2.gz YZVWXIWROVLQCI-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737428953 1427083651 /nfs/dbraw/zinc/08/36/51/1427083651.db2.gz YZVWXIWROVLQCI-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN CC(C)[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CCS1 ZINC000174287168 1427086342 /nfs/dbraw/zinc/08/63/42/1427086342.db2.gz JLSBOYAHXAQURD-OAHLLOKOSA-N 0 1 377.535 3.049 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1C(F)(F)F ZINC000174288413 1427086579 /nfs/dbraw/zinc/08/65/79/1427086579.db2.gz KCYSMSHESVIONM-KRWDZBQOSA-N 0 1 386.462 3.407 20 0 GGADMN CN(CCC1CCCCC1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000174291434 1427087574 /nfs/dbraw/zinc/08/75/74/1427087574.db2.gz YSTOWKKOIYZUON-UHFFFAOYSA-N 0 1 394.537 3.219 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)N1CCN(C)CC1 ZINC000174302138 1427092044 /nfs/dbraw/zinc/09/20/44/1427092044.db2.gz QBGFTGZDCVJZFW-KRWDZBQOSA-N 0 1 386.462 3.185 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)N1CCN(C)CC1 ZINC000174302125 1427092144 /nfs/dbraw/zinc/09/21/44/1427092144.db2.gz QBGFTGZDCVJZFW-QGZVFWFLSA-N 0 1 386.462 3.185 20 0 GGADMN COCc1cccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000174307893 1427094794 /nfs/dbraw/zinc/09/47/94/1427094794.db2.gz FXHGTPDDAOQPEB-UHFFFAOYSA-N 0 1 376.522 3.200 20 0 GGADMN COCc1cccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000174325529 1427102458 /nfs/dbraw/zinc/10/24/58/1427102458.db2.gz JIYZFABQUAATIN-UHFFFAOYSA-N 0 1 398.912 3.228 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000174325879 1427103092 /nfs/dbraw/zinc/10/30/92/1427103092.db2.gz GQUUOFDSUQIOLR-UHFFFAOYSA-N 0 1 396.896 3.284 20 0 GGADMN CCCCc1nc2ccc(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)cc2[nH]1 ZINC000174334076 1427106099 /nfs/dbraw/zinc/10/60/99/1427106099.db2.gz LJUGWYMOGWOABA-UHFFFAOYSA-N 0 1 386.477 3.114 20 0 GGADMN CC(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 ZINC000174337993 1427109072 /nfs/dbraw/zinc/10/90/72/1427109072.db2.gz CVGKOLHTYWZISK-INIZCTEOSA-N 0 1 394.537 3.075 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000174341112 1427110850 /nfs/dbraw/zinc/11/08/50/1427110850.db2.gz AXNKCHVLYJSTGG-PMACEKPBSA-N 0 1 391.581 3.063 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)[nH]1 ZINC000174346672 1427113172 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Cc1c(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822091338 1427141533 /nfs/dbraw/zinc/14/15/33/1427141533.db2.gz PXVRVJHKBKGBFA-IBGZPJMESA-N 0 1 391.479 3.134 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(CN3CCSCC3)ccc2C)C1 ZINC000174430700 1427153582 /nfs/dbraw/zinc/15/35/82/1427153582.db2.gz XUEVZUHTNHTJDQ-ROUUACIJSA-N 0 1 390.549 3.462 20 0 GGADMN C[C@H]1CCN(CCCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000174431895 1427153717 /nfs/dbraw/zinc/15/37/17/1427153717.db2.gz YWRUIFARXYIKFA-FQEVSTJZSA-N 0 1 386.561 3.447 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000736290550 1427154802 /nfs/dbraw/zinc/15/48/02/1427154802.db2.gz QUABBAZZUMMIIS-IFXJQAMLSA-N 0 1 392.438 3.221 20 0 GGADMN CN(Cc1nc2ccccc2s1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174442960 1427158703 /nfs/dbraw/zinc/15/87/03/1427158703.db2.gz RFILDJRGCDPBJD-UHFFFAOYSA-N 0 1 394.544 3.316 20 0 GGADMN Brc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823827189 1427158687 /nfs/dbraw/zinc/15/86/87/1427158687.db2.gz WQTAPEYCULESOG-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN Brc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823827189 1427158690 /nfs/dbraw/zinc/15/86/90/1427158690.db2.gz WQTAPEYCULESOG-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN Brc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823827189 1427158696 /nfs/dbraw/zinc/15/86/96/1427158696.db2.gz WQTAPEYCULESOG-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000174453268 1427162398 /nfs/dbraw/zinc/16/23/98/1427162398.db2.gz PYCLHAOTYATEJH-AWEZNQCLSA-N 0 1 398.413 3.010 20 0 GGADMN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1nc2ccc(F)cc2[nH]1 ZINC000174452852 1427162568 /nfs/dbraw/zinc/16/25/68/1427162568.db2.gz ZWOIYDRYEOINFU-UHFFFAOYSA-N 0 1 396.422 3.062 20 0 GGADMN O=C1[C@H]([N@H+]2CCCC3(CCCCC3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503778 1427162558 /nfs/dbraw/zinc/16/25/58/1427162558.db2.gz IQXQUZGVACZMLV-OAHLLOKOSA-N 0 1 386.525 3.080 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cnn(CC4CC4)c3)cc2)C[C@H](C)O1 ZINC000174454618 1427163203 /nfs/dbraw/zinc/16/32/03/1427163203.db2.gz PCMQVLVUIBNAIP-CALCHBBNSA-N 0 1 397.523 3.224 20 0 GGADMN Cc1cccc(NC(=O)CSCC(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000174459548 1427166037 /nfs/dbraw/zinc/16/60/37/1427166037.db2.gz JWGNBUDEUCBDJT-UHFFFAOYSA-N 0 1 389.565 3.144 20 0 GGADMN Cc1ccc(OCc2nc(CNC3CCC(S(C)(=O)=O)CC3)cs2)cc1 ZINC000174459601 1427166587 /nfs/dbraw/zinc/16/65/87/1427166587.db2.gz TXFWQWFLIOYMLR-UHFFFAOYSA-N 0 1 394.562 3.476 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000174462048 1427168247 /nfs/dbraw/zinc/16/82/47/1427168247.db2.gz XCKIAMYNJSCHHH-HXUWFJFHSA-N 0 1 380.423 3.072 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000174485660 1427178263 /nfs/dbraw/zinc/17/82/63/1427178263.db2.gz PEUDNXOYMPSXPP-XMSQKQJNSA-N 0 1 389.540 3.243 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)c2)CC1 ZINC000174494590 1427181044 /nfs/dbraw/zinc/18/10/44/1427181044.db2.gz JNKZCKHSBDESQA-DHIUTWEWSA-N 0 1 393.531 3.084 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000822233659 1427184382 /nfs/dbraw/zinc/18/43/82/1427184382.db2.gz SMIWXEYEDKBLEW-QGZVFWFLSA-N 0 1 394.479 3.469 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000822233659 1427184387 /nfs/dbraw/zinc/18/43/87/1427184387.db2.gz SMIWXEYEDKBLEW-QGZVFWFLSA-N 0 1 394.479 3.469 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)cc2NC1=O ZINC000174505187 1427190211 /nfs/dbraw/zinc/19/02/11/1427190211.db2.gz SACVYXKTZHOIAS-SNVBAGLBSA-N 0 1 384.436 3.107 20 0 GGADMN Cn1ccnc1SCc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)o1 ZINC000174507768 1427191006 /nfs/dbraw/zinc/19/10/06/1427191006.db2.gz SHPOPXKFZCJCFB-UHFFFAOYSA-N 0 1 399.451 3.293 20 0 GGADMN C[C@@H]([NH2+]CCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824591218 1427193147 /nfs/dbraw/zinc/19/31/47/1427193147.db2.gz IGFUPZYVYFFEOP-MRXNPFEDSA-N 0 1 389.463 3.172 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000174511716 1427193429 /nfs/dbraw/zinc/19/34/29/1427193429.db2.gz ICLULNNGFSYBOQ-UHFFFAOYSA-N 0 1 383.427 3.204 20 0 GGADMN COc1ccc(C)cc1-n1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1 ZINC000174514766 1427195713 /nfs/dbraw/zinc/19/57/13/1427195713.db2.gz GZWMZJNBFUFASR-UHFFFAOYSA-N 0 1 393.422 3.177 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)[nH]1 ZINC000174513879 1427195826 /nfs/dbraw/zinc/19/58/26/1427195826.db2.gz MCOIZNTWWYKWRH-UHFFFAOYSA-N 0 1 398.370 3.303 20 0 GGADMN O=C(CCc1nc(-c2cccs2)no1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174515412 1427196435 /nfs/dbraw/zinc/19/64/35/1427196435.db2.gz ZDCHZGZXRGZLHZ-UHFFFAOYSA-N 0 1 385.424 3.105 20 0 GGADMN C[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1cccc(Cl)c1 ZINC000174526295 1427203717 /nfs/dbraw/zinc/20/37/17/1427203717.db2.gz PVAYBOHOTUYKKQ-SNVBAGLBSA-N 0 1 389.864 3.063 20 0 GGADMN COc1ccccc1C1(C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821890008 1427204314 /nfs/dbraw/zinc/20/43/14/1427204314.db2.gz IWXXPSZDTXMNJK-IBGZPJMESA-N 0 1 393.491 3.010 20 0 GGADMN C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1nnc[nH]1 ZINC000174528815 1427205993 /nfs/dbraw/zinc/20/59/93/1427205993.db2.gz LXZUIVPFBJRDMG-LBPRGKRZSA-N 0 1 378.461 3.464 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1cccs1 ZINC000174540456 1427212127 /nfs/dbraw/zinc/21/21/27/1427212127.db2.gz WKJSFMCVPCILTJ-UHFFFAOYSA-N 0 1 388.537 3.263 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccccc1C ZINC000174540818 1427212226 /nfs/dbraw/zinc/21/22/26/1427212226.db2.gz ZBLDUKYTKLOLGZ-UHFFFAOYSA-N 0 1 382.508 3.467 20 0 GGADMN CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825125135 1427213177 /nfs/dbraw/zinc/21/31/77/1427213177.db2.gz AAEKUAMBTWZLPF-INIZCTEOSA-N 0 1 385.443 3.134 20 0 GGADMN CCCC[C@@H](COC)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000174543467 1427214792 /nfs/dbraw/zinc/21/47/92/1427214792.db2.gz AXIAGSMFOCPKNT-KRWDZBQOSA-N 0 1 392.544 3.164 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2)CC1 ZINC000174553066 1427220227 /nfs/dbraw/zinc/22/02/27/1427220227.db2.gz YBCZTDGGHITIQI-UHFFFAOYSA-N 0 1 392.503 3.035 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1CC(F)(F)F)c1ccccc1 ZINC000174562274 1427225614 /nfs/dbraw/zinc/22/56/14/1427225614.db2.gz OMJNBUNRVQLRNU-QGZVFWFLSA-N 0 1 393.409 3.149 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1C(F)(F)F ZINC000174562397 1427225638 /nfs/dbraw/zinc/22/56/38/1427225638.db2.gz XUJOMIZIMCKOTI-QGZVFWFLSA-N 0 1 393.409 3.371 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N(Cc1ccco1)Cc1ccco1 ZINC000174567782 1427228878 /nfs/dbraw/zinc/22/88/78/1427228878.db2.gz SKUCLUQCDOOXTA-UHFFFAOYSA-N 0 1 394.475 3.009 20 0 GGADMN O=C1[C@@H](NCc2cnc3ccccn23)CCCN1c1ccc(OC(F)F)cc1 ZINC000174568786 1427229236 /nfs/dbraw/zinc/22/92/36/1427229236.db2.gz GMXIBEANIHHYRK-KRWDZBQOSA-N 0 1 386.402 3.221 20 0 GGADMN CN(C(=O)[C@H](Cc1ccccc1)NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000174568644 1427229369 /nfs/dbraw/zinc/22/93/69/1427229369.db2.gz HZFIVUPCBDRGEM-QFIPXVFZSA-N 0 1 387.483 3.149 20 0 GGADMN COc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1O ZINC000174568891 1427229732 /nfs/dbraw/zinc/22/97/32/1427229732.db2.gz WSXAWNKFWIQRLQ-MRXNPFEDSA-N 0 1 392.402 3.287 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)ccc1C(F)(F)F ZINC000174568525 1427229767 /nfs/dbraw/zinc/22/97/67/1427229767.db2.gz MTIMPVZQJPPKEF-CQSZACIVSA-N 0 1 399.438 3.433 20 0 GGADMN CC(C)n1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC000174569461 1427230177 /nfs/dbraw/zinc/23/01/77/1427230177.db2.gz YZQJFCZQOKCVHL-KRWDZBQOSA-N 0 1 378.423 3.351 20 0 GGADMN COC(C)(C)C[C@@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569723 1427230479 /nfs/dbraw/zinc/23/04/79/1427230479.db2.gz OEAAYBOHMSBROY-HZPDHXFCSA-N 0 1 394.535 3.141 20 0 GGADMN CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C2(CCCCC2)C1 ZINC000174570558 1427231325 /nfs/dbraw/zinc/23/13/25/1427231325.db2.gz RGBYMBPEQATKLR-IBGZPJMESA-N 0 1 398.551 3.407 20 0 GGADMN Cc1ccc(NC(=O)CSCC(=O)N2CCN(C)CC23CCCCC3)cc1 ZINC000174572916 1427232890 /nfs/dbraw/zinc/23/28/90/1427232890.db2.gz LWZNJBRQAZPDEE-UHFFFAOYSA-N 0 1 389.565 3.144 20 0 GGADMN COc1ccc(CCC(=O)N2CCN(C)CC23CCCCC3)c(OC)c1OC ZINC000174573265 1427232992 /nfs/dbraw/zinc/23/29/92/1427232992.db2.gz OJASKNUGQORQBV-UHFFFAOYSA-N 0 1 390.524 3.122 20 0 GGADMN COc1ccc(-c2noc(CCC(=O)N3CCN(C)CC34CCCCC4)n2)cc1 ZINC000174573064 1427233171 /nfs/dbraw/zinc/23/31/71/1427233171.db2.gz MVLVJTYUJIJUEH-UHFFFAOYSA-N 0 1 398.507 3.155 20 0 GGADMN Cc1ccnc(NCc2ccccc2C[NH+]2CCC(C)CC2)c1-c1nnn[n-]1 ZINC000826314064 1427236467 /nfs/dbraw/zinc/23/64/67/1427236467.db2.gz DQUSGHAKRKJLLD-UHFFFAOYSA-N 0 1 377.496 3.414 20 0 GGADMN Cn1ccc2ccc(NC(=O)C(=O)NC[C@H](c3cccs3)N3CCCC3)cc21 ZINC000174579195 1427237412 /nfs/dbraw/zinc/23/74/12/1427237412.db2.gz BHQQTLVBMZZHAV-GOSISDBHSA-N 0 1 396.516 3.132 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1c(F)cc(F)cc1F ZINC000174579209 1427237712 /nfs/dbraw/zinc/23/77/12/1427237712.db2.gz FQWHFESQDZMRNE-CQSZACIVSA-N 0 1 397.422 3.057 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CCC[C@H](O)C2)CC1 ZINC000174586961 1427242636 /nfs/dbraw/zinc/24/26/36/1427242636.db2.gz WRXIHVWJPHXGIZ-WBVHZDCISA-N 0 1 394.947 3.155 20 0 GGADMN COc1ccccc1-c1ccc(CN[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588428 1427243407 /nfs/dbraw/zinc/24/34/07/1427243407.db2.gz FUULXNLPRVEMSM-HXUWFJFHSA-N 0 1 390.487 3.381 20 0 GGADMN COc1ccccc1-c1ccc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174588416 1427243726 /nfs/dbraw/zinc/24/37/26/1427243726.db2.gz FUULXNLPRVEMSM-FQEVSTJZSA-N 0 1 390.487 3.381 20 0 GGADMN Cc1[nH]c2ccccc2c1C1=CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000174594581 1427247462 /nfs/dbraw/zinc/24/74/62/1427247462.db2.gz UAWXQUIFHFQKBG-UHFFFAOYSA-N 0 1 392.503 3.430 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000174598916 1427249085 /nfs/dbraw/zinc/24/90/85/1427249085.db2.gz FXKMMMPFIVJPHP-QUCCMNQESA-N 0 1 394.519 3.054 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C12CCC2 ZINC000174598216 1427249111 /nfs/dbraw/zinc/24/91/11/1427249111.db2.gz WVGUZFHBUOEIFK-VQTJNVASSA-N 0 1 386.540 3.216 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@H](C(C)C)C1 ZINC000174598783 1427249320 /nfs/dbraw/zinc/24/93/20/1427249320.db2.gz DIUBLWCFJQHNEZ-IBGZPJMESA-N 0 1 376.570 3.352 20 0 GGADMN CC(=O)c1ccccc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000174602411 1427252617 /nfs/dbraw/zinc/25/26/17/1427252617.db2.gz DZOKIOIDFFWHMT-CALCHBBNSA-N 0 1 380.488 3.428 20 0 GGADMN CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000174601919 1427252621 /nfs/dbraw/zinc/25/26/21/1427252621.db2.gz VGNFXFDGJIQSIV-UHFFFAOYSA-N 0 1 397.548 3.388 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823674489 1427253572 /nfs/dbraw/zinc/25/35/72/1427253572.db2.gz QURNBXKANAYZHX-FPOVZHCZSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674489 1427253580 /nfs/dbraw/zinc/25/35/80/1427253580.db2.gz QURNBXKANAYZHX-FPOVZHCZSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674489 1427253592 /nfs/dbraw/zinc/25/35/92/1427253592.db2.gz QURNBXKANAYZHX-FPOVZHCZSA-N 0 1 393.491 3.224 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)C(=O)N(C)Cc3ccccc3)C2)nc1 ZINC000174603147 1427253825 /nfs/dbraw/zinc/25/38/25/1427253825.db2.gz QGKAHNGMFHEAIL-AZUAARDMSA-N 0 1 394.519 3.088 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)NCCC3=CCCCC3)C2)nc1 ZINC000174603970 1427254673 /nfs/dbraw/zinc/25/46/73/1427254673.db2.gz VPJIOVYWDRZGSF-IBGZPJMESA-N 0 1 384.524 3.047 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000826514090 1427257614 /nfs/dbraw/zinc/25/76/14/1427257614.db2.gz GZWNXYJREVJNRW-UHFFFAOYSA-N 0 1 398.555 3.160 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)c2)o1 ZINC000174607179 1427258179 /nfs/dbraw/zinc/25/81/79/1427258179.db2.gz KYDGPPPMVQZTHT-HXUWFJFHSA-N 0 1 376.460 3.439 20 0 GGADMN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)C2)no1 ZINC000174606875 1427258480 /nfs/dbraw/zinc/25/84/80/1427258480.db2.gz DHPSZYMURYGNIV-VQTJNVASSA-N 0 1 382.508 3.214 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821890063 1427259611 /nfs/dbraw/zinc/25/96/11/1427259611.db2.gz JNBAADIFUMDTBM-QGZVFWFLSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821890063 1427259616 /nfs/dbraw/zinc/25/96/16/1427259616.db2.gz JNBAADIFUMDTBM-QGZVFWFLSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821890063 1427259617 /nfs/dbraw/zinc/25/96/17/1427259617.db2.gz JNBAADIFUMDTBM-QGZVFWFLSA-N 0 1 379.464 3.134 20 0 GGADMN CN(C)c1cc(CNC(=O)NC[C@H](c2cccs2)N(C)C)c2ccccc2n1 ZINC000174622536 1427269268 /nfs/dbraw/zinc/26/92/68/1427269268.db2.gz FMXCBSKQYAUCOJ-GOSISDBHSA-N 0 1 397.548 3.464 20 0 GGADMN COc1ccc(CN(C)C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1O ZINC000174627558 1427273670 /nfs/dbraw/zinc/27/36/70/1427273670.db2.gz LRUCBHXJZGUXPU-HNNXBMFYSA-N 0 1 385.382 3.291 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)c1ccsc1 ZINC000174628956 1427274230 /nfs/dbraw/zinc/27/42/30/1427274230.db2.gz PZKXMTMUNGUPAO-GOSISDBHSA-N 0 1 384.505 3.367 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)c1ccsc1 ZINC000174628878 1427274758 /nfs/dbraw/zinc/27/47/58/1427274758.db2.gz XXMQFFSKVNEBLC-OAHLLOKOSA-N 0 1 399.438 3.303 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)Nc2ccccc2N2CCN(CC)CC2)C12CCC2 ZINC000174634457 1427278533 /nfs/dbraw/zinc/27/85/33/1427278533.db2.gz SPQYWMQUVHQYHC-PMACEKPBSA-N 0 1 386.540 3.298 20 0 GGADMN Cn1ccc2ccc(NC(=O)C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21 ZINC000174637089 1427280324 /nfs/dbraw/zinc/28/03/24/1427280324.db2.gz VMMMOGOHNGBJIQ-HXUWFJFHSA-N 0 1 390.487 3.070 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)c2)CC1 ZINC000174644727 1427284107 /nfs/dbraw/zinc/28/41/07/1427284107.db2.gz ZCKNOAOWUGYTSW-UHFFFAOYSA-N 0 1 381.476 3.194 20 0 GGADMN CCCN(CC)CCNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000174652123 1427289028 /nfs/dbraw/zinc/28/90/28/1427289028.db2.gz YFAXTUDCLRCGMN-UHFFFAOYSA-N 0 1 388.533 3.122 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826237978 1427292947 /nfs/dbraw/zinc/29/29/47/1427292947.db2.gz SATBLNFRBWBEAU-BZPMIXESSA-N 0 1 375.908 3.065 20 0 GGADMN Oc1cccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000174659687 1427293555 /nfs/dbraw/zinc/29/35/55/1427293555.db2.gz UMGBXPJMZFGLCF-UHFFFAOYSA-N 0 1 384.505 3.254 20 0 GGADMN Oc1cccc(CN2CCN(CCCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000174660341 1427293823 /nfs/dbraw/zinc/29/38/23/1427293823.db2.gz SDKXRKSQWMLFAP-UHFFFAOYSA-N 0 1 378.476 3.193 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[nH]1 ZINC000174665095 1427295718 /nfs/dbraw/zinc/29/57/18/1427295718.db2.gz VPVAXDGJBLOGDG-UHFFFAOYSA-N 0 1 394.460 3.071 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)n1 ZINC000174665095 1427295724 /nfs/dbraw/zinc/29/57/24/1427295724.db2.gz VPVAXDGJBLOGDG-UHFFFAOYSA-N 0 1 394.460 3.071 20 0 GGADMN O=C(CCN1CCN(Cc2cccc(O)c2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000174666588 1427296604 /nfs/dbraw/zinc/29/66/04/1427296604.db2.gz XIJAAULRLWQTQT-HSZRJFAPSA-N 0 1 393.531 3.094 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677907 1427305080 /nfs/dbraw/zinc/30/50/80/1427305080.db2.gz YRYVDZMQCDXLKG-MRXNPFEDSA-N 0 1 387.505 3.074 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[nH]1 ZINC000174678632 1427305152 /nfs/dbraw/zinc/30/51/52/1427305152.db2.gz IWHHPOHZXIOLBD-UHFFFAOYSA-N 0 1 388.522 3.411 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000174679929 1427305974 /nfs/dbraw/zinc/30/59/74/1427305974.db2.gz QWDJGBXZQSPZEY-OAQYLSRUSA-N 0 1 380.492 3.184 20 0 GGADMN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)nn1 ZINC000174681301 1427306727 /nfs/dbraw/zinc/30/67/27/1427306727.db2.gz ACGRKHGHXPTJPT-UHFFFAOYSA-N 0 1 380.452 3.289 20 0 GGADMN COc1ccc([C@@H]2CCN(C(=O)c3cccc(CN4CCN(C)CC4)c3)C2)cc1 ZINC000174684474 1427308233 /nfs/dbraw/zinc/30/82/33/1427308233.db2.gz VPBNYUKHQRWCCA-JOCHJYFZSA-N 0 1 393.531 3.072 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)[nH]1 ZINC000174689777 1427311561 /nfs/dbraw/zinc/31/15/61/1427311561.db2.gz UITPFKBIDRUPJL-HXUWFJFHSA-N 0 1 394.500 3.436 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1 ZINC000174689777 1427311568 /nfs/dbraw/zinc/31/15/68/1427311568.db2.gz UITPFKBIDRUPJL-HXUWFJFHSA-N 0 1 394.500 3.436 20 0 GGADMN Fc1cc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc(F)c1F ZINC000737645080 1427313006 /nfs/dbraw/zinc/31/30/06/1427313006.db2.gz QGHFDMVRIISAMK-UHFFFAOYSA-N 0 1 379.411 3.307 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000174693213 1427313353 /nfs/dbraw/zinc/31/33/53/1427313353.db2.gz UBLPXQZBBUAXCK-KUHUBIRLSA-N 0 1 394.450 3.432 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[nH]1 ZINC000174694041 1427314478 /nfs/dbraw/zinc/31/44/78/1427314478.db2.gz GKLAZXQVMLTUMF-UHFFFAOYSA-N 0 1 378.461 3.398 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)n1 ZINC000174694041 1427314485 /nfs/dbraw/zinc/31/44/85/1427314485.db2.gz GKLAZXQVMLTUMF-UHFFFAOYSA-N 0 1 378.461 3.398 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[nH]1 ZINC000174702290 1427318554 /nfs/dbraw/zinc/31/85/54/1427318554.db2.gz JCPAUVHLKLHJDF-UHFFFAOYSA-N 0 1 394.460 3.071 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)n1 ZINC000174702290 1427318560 /nfs/dbraw/zinc/31/85/60/1427318560.db2.gz JCPAUVHLKLHJDF-UHFFFAOYSA-N 0 1 394.460 3.071 20 0 GGADMN COc1ccc(CN2CCN(CCC(=O)Nc3ccccc3C)CC2)cc1F ZINC000174707533 1427321365 /nfs/dbraw/zinc/32/13/65/1427321365.db2.gz WQQJYWHNPIAZFD-UHFFFAOYSA-N 0 1 385.483 3.289 20 0 GGADMN CCS(=O)(=O)CCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000174717102 1427328203 /nfs/dbraw/zinc/32/82/03/1427328203.db2.gz YAWJCNVIICUKOJ-FQEVSTJZSA-N 0 1 377.506 3.012 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000826518596 1427329307 /nfs/dbraw/zinc/32/93/07/1427329307.db2.gz SKKCDSNMFBLRSI-PKOBYXMFSA-N 0 1 383.496 3.300 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[nH]1 ZINC000174730978 1427336209 /nfs/dbraw/zinc/33/62/09/1427336209.db2.gz JKPQNSNNXLLGTL-AREMUKBSSA-N 0 1 392.550 3.425 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)n1 ZINC000174730978 1427336212 /nfs/dbraw/zinc/33/62/12/1427336212.db2.gz JKPQNSNNXLLGTL-AREMUKBSSA-N 0 1 392.550 3.425 20 0 GGADMN Cc1ccc2nc(CNC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c2c1 ZINC000174743445 1427343740 /nfs/dbraw/zinc/34/37/40/1427343740.db2.gz GJURLMYVOSGSOG-UHFFFAOYSA-N 0 1 378.476 3.215 20 0 GGADMN C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000174745129 1427345090 /nfs/dbraw/zinc/34/50/90/1427345090.db2.gz KGUXPVOEMJQONV-LLVKDONJSA-N 0 1 378.363 3.208 20 0 GGADMN FC(F)(F)c1cccc(N2CC[NH+](Cc3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000826369197 1427347294 /nfs/dbraw/zinc/34/72/94/1427347294.db2.gz RPCKTFDJFVRGQM-UHFFFAOYSA-N 0 1 394.426 3.269 20 0 GGADMN CN1C(=O)COc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000174775406 1427360593 /nfs/dbraw/zinc/36/05/93/1427360593.db2.gz VGFDARXUIWUJSJ-UHFFFAOYSA-N 0 1 387.244 3.149 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)NCCN(C)Cc3ccccc3)cc21 ZINC000174781468 1427363761 /nfs/dbraw/zinc/36/37/61/1427363761.db2.gz CJARVZBQMOJJRX-UHFFFAOYSA-N 0 1 392.503 3.238 20 0 GGADMN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)CC)ccc2F)C1 ZINC000174781922 1427364260 /nfs/dbraw/zinc/36/42/60/1427364260.db2.gz KIINCQRBIHUQOZ-OAHLLOKOSA-N 0 1 398.544 3.250 20 0 GGADMN CN(CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174785058 1427366349 /nfs/dbraw/zinc/36/63/49/1427366349.db2.gz QQDPKNVICCNTIS-UXHICEINSA-N 0 1 388.533 3.456 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000174795465 1427373017 /nfs/dbraw/zinc/37/30/17/1427373017.db2.gz YAQSDDUCZLYFDX-APWZRJJASA-N 0 1 378.900 3.189 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000174795472 1427373045 /nfs/dbraw/zinc/37/30/45/1427373045.db2.gz YAQSDDUCZLYFDX-QFBILLFUSA-N 0 1 378.900 3.189 20 0 GGADMN Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000174798852 1427374609 /nfs/dbraw/zinc/37/46/09/1427374609.db2.gz GKERBALKNYQOKP-HXUWFJFHSA-N 0 1 398.576 3.349 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)Cc3nnc[nH]3)ccc21 ZINC000174804293 1427378342 /nfs/dbraw/zinc/37/83/42/1427378342.db2.gz QGCZDNANIDJEMW-CQSZACIVSA-N 0 1 376.464 3.392 20 0 GGADMN CCc1nsc(N2CCCN(CCC(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000174807593 1427379593 /nfs/dbraw/zinc/37/95/93/1427379593.db2.gz KUESCHJFNPKQEI-UHFFFAOYSA-N 0 1 393.944 3.295 20 0 GGADMN CN(CC(=O)Nc1ccc(F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825648 1427388415 /nfs/dbraw/zinc/38/84/15/1427388415.db2.gz FAIJYCVFPDYUFF-UHFFFAOYSA-N 0 1 383.439 3.235 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000820564331 1427390336 /nfs/dbraw/zinc/39/03/36/1427390336.db2.gz ZNSFZNAWYURPNR-SJORKVTESA-N 0 1 390.491 3.070 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000820564331 1427390339 /nfs/dbraw/zinc/39/03/39/1427390339.db2.gz ZNSFZNAWYURPNR-SJORKVTESA-N 0 1 390.491 3.070 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000820564331 1427390344 /nfs/dbraw/zinc/39/03/44/1427390344.db2.gz ZNSFZNAWYURPNR-SJORKVTESA-N 0 1 390.491 3.070 20 0 GGADMN C[C@H]1CCCCN1C(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000174840174 1427398879 /nfs/dbraw/zinc/39/88/79/1427398879.db2.gz WTFCRFNDYASMSN-RDJZCZTQSA-N 0 1 386.471 3.456 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCC[C@@H]2CN2CCCC2)cc1 ZINC000174848120 1427404580 /nfs/dbraw/zinc/40/45/80/1427404580.db2.gz OFIFSIDLDDWXCN-LJQANCHMSA-N 0 1 378.582 3.318 20 0 GGADMN CC[C@H](NC(=O)c1nnc2ccccc2c1O)c1nc(C(F)(F)F)cs1 ZINC000174850682 1427406822 /nfs/dbraw/zinc/40/68/22/1427406822.db2.gz GHOJYQXCXLUPQY-VIFPVBQESA-N 0 1 382.367 3.280 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000174857131 1427410671 /nfs/dbraw/zinc/41/06/71/1427410671.db2.gz MDOMCJAFPWMQJP-FMKPAKJESA-N 0 1 382.574 3.216 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000174857114 1427410808 /nfs/dbraw/zinc/41/08/08/1427410808.db2.gz MDOMCJAFPWMQJP-LZWOXQAQSA-N 0 1 382.574 3.216 20 0 GGADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000174857105 1427410874 /nfs/dbraw/zinc/41/08/74/1427410874.db2.gz MDOMCJAFPWMQJP-IJEWVQPXSA-N 0 1 382.574 3.216 20 0 GGADMN CCn1c(=O)c2ccc(-c3nc(-c4cccc(OC)c4)no3)cc2[nH]c1=S ZINC000174860590 1427412513 /nfs/dbraw/zinc/41/25/13/1427412513.db2.gz SNXHPYFIWDEPFP-UHFFFAOYSA-N 0 1 380.429 3.431 20 0 GGADMN CC(C)[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H](C)O ZINC000824705792 1427414873 /nfs/dbraw/zinc/41/48/73/1427414873.db2.gz FAVSHMRAEXKUTR-MRXNPFEDSA-N 0 1 381.480 3.037 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H](C)O ZINC000824705792 1427414878 /nfs/dbraw/zinc/41/48/78/1427414878.db2.gz FAVSHMRAEXKUTR-MRXNPFEDSA-N 0 1 381.480 3.037 20 0 GGADMN CC(C)[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H](C)O ZINC000824705792 1427414882 /nfs/dbraw/zinc/41/48/82/1427414882.db2.gz FAVSHMRAEXKUTR-MRXNPFEDSA-N 0 1 381.480 3.037 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCN3c3ncnc4sccc43)[nH]c2c1 ZINC000174866247 1427417058 /nfs/dbraw/zinc/41/70/58/1427417058.db2.gz GHLGLIDNVHVIEM-MRXNPFEDSA-N 0 1 392.488 3.161 20 0 GGADMN Cc1nc(CN2CCC(C(=O)NCc3nc4ccc(C)cc4[nH]3)CC2)cs1 ZINC000174865999 1427417088 /nfs/dbraw/zinc/41/70/88/1427417088.db2.gz DDLFGYMFOYMLFX-UHFFFAOYSA-N 0 1 383.521 3.165 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@H](c1nc(C)cs1)C1CC1)N1CCOCC1 ZINC000174867266 1427417796 /nfs/dbraw/zinc/41/77/96/1427417796.db2.gz OWJTUGVUUUPLFQ-ROUUACIJSA-N 0 1 394.585 3.339 20 0 GGADMN c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826520838 1427419205 /nfs/dbraw/zinc/41/92/05/1427419205.db2.gz SLCRMWLNLMXXHI-FVELJTHGSA-N 0 1 390.491 3.345 20 0 GGADMN CCOc1ccccc1[C@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)NC(C)=O ZINC000174870583 1427419285 /nfs/dbraw/zinc/41/92/85/1427419285.db2.gz PFXQHQXPVOXPFT-SFHVURJKSA-N 0 1 394.475 3.154 20 0 GGADMN CCOc1ccccc1[C@@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)NC(C)=O ZINC000174870572 1427419624 /nfs/dbraw/zinc/41/96/24/1427419624.db2.gz PFXQHQXPVOXPFT-GOSISDBHSA-N 0 1 394.475 3.154 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2CCc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822549353 1427420606 /nfs/dbraw/zinc/42/06/06/1427420606.db2.gz XFSZXQHQHYZWSJ-KRWDZBQOSA-N 0 1 394.479 3.112 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)[nH]c2c1 ZINC000174876721 1427422700 /nfs/dbraw/zinc/42/27/00/1427422700.db2.gz JXYPWBGYXFGSDA-QHCPKHFHSA-N 0 1 390.487 3.430 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cnn(Cc2ccccn2)c1)c1ccco1 ZINC000174878419 1427423478 /nfs/dbraw/zinc/42/34/78/1427423478.db2.gz XVKDRTAYFANKLY-GOSISDBHSA-N 0 1 382.468 3.124 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)[nH]c2c1 ZINC000174879042 1427424288 /nfs/dbraw/zinc/42/42/88/1427424288.db2.gz UDLBELGVHBKBHL-INIZCTEOSA-N 0 1 376.460 3.157 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822549206 1427424653 /nfs/dbraw/zinc/42/46/53/1427424653.db2.gz VVTYQYZWJYQCFQ-QGZVFWFLSA-N 0 1 394.479 3.112 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822549206 1427424655 /nfs/dbraw/zinc/42/46/55/1427424655.db2.gz VVTYQYZWJYQCFQ-QGZVFWFLSA-N 0 1 394.479 3.112 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccc(F)cc1F ZINC000174882730 1427425545 /nfs/dbraw/zinc/42/55/45/1427425545.db2.gz KRHVBCVIHYCKBC-KRWDZBQOSA-N 0 1 386.402 3.033 20 0 GGADMN Cc1ccc(C2N=NC(=S)N2CC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174885263 1427427498 /nfs/dbraw/zinc/42/74/98/1427427498.db2.gz MQGZDJKGRLREFV-UHFFFAOYSA-N 0 1 392.488 3.043 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](c3ccccc3)N3CCCCC3=O)[nH]c2c1 ZINC000174887902 1427428400 /nfs/dbraw/zinc/42/84/00/1427428400.db2.gz HPSOLSVMUYHLKT-NRFANRHFSA-N 0 1 376.460 3.241 20 0 GGADMN Cc1ccc(C(=O)N[C@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)C(C)C)cc1 ZINC000174890462 1427429884 /nfs/dbraw/zinc/42/98/84/1427429884.db2.gz KUGHDAMAUXLJLE-FQEVSTJZSA-N 0 1 378.476 3.251 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)[nH]c2c1 ZINC000174893922 1427431372 /nfs/dbraw/zinc/43/13/72/1427431372.db2.gz AUARZOSZLGAKPU-LJQANCHMSA-N 0 1 389.463 3.038 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)[nH]1 ZINC000174895269 1427432441 /nfs/dbraw/zinc/43/24/41/1427432441.db2.gz MLWHAMOBPBZJLS-SANMLTNESA-N 0 1 386.502 3.152 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)n1 ZINC000174895269 1427432448 /nfs/dbraw/zinc/43/24/48/1427432448.db2.gz MLWHAMOBPBZJLS-SANMLTNESA-N 0 1 386.502 3.152 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174895787 1427432993 /nfs/dbraw/zinc/43/29/93/1427432993.db2.gz AJRGEGVDDDJGKZ-SFHVURJKSA-N 0 1 378.476 3.015 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174896580 1427433184 /nfs/dbraw/zinc/43/31/84/1427433184.db2.gz SECFALNKUSEDBG-UHFFFAOYSA-N 0 1 376.460 3.384 20 0 GGADMN CCc1nc(COc2ccc(C(=O)NCc3nc4ccc(C)cc4[nH]3)cc2)no1 ZINC000174895933 1427433199 /nfs/dbraw/zinc/43/31/99/1427433199.db2.gz ASOVIFNKIHOOBX-UHFFFAOYSA-N 0 1 391.431 3.326 20 0 GGADMN COc1ccc(C)cc1-n1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)n1 ZINC000174901557 1427435929 /nfs/dbraw/zinc/43/59/29/1427435929.db2.gz UMVHKJJUNLPTTI-UHFFFAOYSA-N 0 1 375.432 3.304 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](c3ccccc3)N3CCSCC3)[nH]c2c1 ZINC000174901312 1427436258 /nfs/dbraw/zinc/43/62/58/1427436258.db2.gz SXQGRVZEWGXYKN-HXUWFJFHSA-N 0 1 380.517 3.278 20 0 GGADMN CC(C)(C)Oc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174901641 1427436318 /nfs/dbraw/zinc/43/63/18/1427436318.db2.gz BGNHDANNILYKMR-UHFFFAOYSA-N 0 1 382.508 3.410 20 0 GGADMN Cn1cc(N2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)CC2)cn1 ZINC000174902139 1427436723 /nfs/dbraw/zinc/43/67/23/1427436723.db2.gz KVBVMOSOPIRPJR-UHFFFAOYSA-N 0 1 389.503 3.238 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)[nH]c2c1 ZINC000174905514 1427438798 /nfs/dbraw/zinc/43/87/98/1427438798.db2.gz DZEURLRWMATGIG-MRXNPFEDSA-N 0 1 394.450 3.179 20 0 GGADMN COc1ccccc1CNC(=O)CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000174908263 1427440251 /nfs/dbraw/zinc/44/02/51/1427440251.db2.gz LKEUPMYWGQTKTG-NRFANRHFSA-N 0 1 382.504 3.073 20 0 GGADMN COc1ccc(Cn2cc(C(=O)NCc3nc4ccc(C)cc4[nH]3)cn2)cc1 ZINC000174909750 1427440973 /nfs/dbraw/zinc/44/09/73/1427440973.db2.gz TWMQGYZVJYLOIH-UHFFFAOYSA-N 0 1 375.432 3.055 20 0 GGADMN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)n1 ZINC000174920215 1427446748 /nfs/dbraw/zinc/44/67/48/1427446748.db2.gz FUYSEOMFCRWSFZ-YADHBBJMSA-N 0 1 395.551 3.188 20 0 GGADMN Cn1cc(N2CCN(CCCCOc3ccccc3C(F)(F)F)CC2)cn1 ZINC000174927757 1427449903 /nfs/dbraw/zinc/44/99/03/1427449903.db2.gz AMNBENKPPMEXHQ-UHFFFAOYSA-N 0 1 382.430 3.420 20 0 GGADMN O=C(Nc1cccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000174933498 1427452114 /nfs/dbraw/zinc/45/21/14/1427452114.db2.gz SAHJQSFLYUEMNL-GOSISDBHSA-N 0 1 383.879 3.445 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(F)c(F)c3)C2=O)c1 ZINC000174980881 1427477263 /nfs/dbraw/zinc/47/72/63/1427477263.db2.gz YOOKRMMJSBTCLS-BUXKBTBVSA-N 0 1 376.403 3.438 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3cc(C)cnc3OC)CC2)cc1 ZINC000174981544 1427478002 /nfs/dbraw/zinc/47/80/02/1427478002.db2.gz LWYKBZUGTOVLGC-UHFFFAOYSA-N 0 1 384.480 3.147 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(OC)c(F)c3)C2=O)c1 ZINC000174983539 1427478815 /nfs/dbraw/zinc/47/88/15/1427478815.db2.gz FBLUYNLTEQBULU-YJYMSZOUSA-N 0 1 388.439 3.308 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(OC)c(F)c3)C2=O)c1 ZINC000174983519 1427479108 /nfs/dbraw/zinc/47/91/08/1427479108.db2.gz FBLUYNLTEQBULU-DJJJIMSYSA-N 0 1 388.439 3.308 20 0 GGADMN CO[C@H](CNC(=O)NCc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1 ZINC000174989218 1427482451 /nfs/dbraw/zinc/48/24/51/1427482451.db2.gz JNLFCLILACOZNG-LJQANCHMSA-N 0 1 377.435 3.213 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)c2)CC1 ZINC000174991506 1427483236 /nfs/dbraw/zinc/48/32/36/1427483236.db2.gz CEEQAMAZDHWCOM-LEWJYISDSA-N 0 1 387.568 3.005 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)c2)CC1 ZINC000174991521 1427483466 /nfs/dbraw/zinc/48/34/66/1427483466.db2.gz CEEQAMAZDHWCOM-RTWAWAEBSA-N 0 1 387.568 3.005 20 0 GGADMN CC(C)N1CCC[C@H](Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1=O ZINC000174994716 1427485117 /nfs/dbraw/zinc/48/51/17/1427485117.db2.gz BXMLUPJQKXVJRJ-FQEVSTJZSA-N 0 1 386.540 3.312 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000174995498 1427485848 /nfs/dbraw/zinc/48/58/48/1427485848.db2.gz RLSYPDLOKYTSDD-CQSZACIVSA-N 0 1 390.896 3.045 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000174998090 1427487189 /nfs/dbraw/zinc/48/71/89/1427487189.db2.gz VYAXSCIMWKGJOF-UHFFFAOYSA-N 0 1 376.478 3.205 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc4c(c3)CCO4)C2=O)c1 ZINC000175003957 1427491774 /nfs/dbraw/zinc/49/17/74/1427491774.db2.gz JIJZIJMRGNKXJW-JLTOFOAXSA-N 0 1 382.460 3.095 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc4c(c3)CCO4)C2=O)c1 ZINC000175003939 1427491834 /nfs/dbraw/zinc/49/18/34/1427491834.db2.gz JIJZIJMRGNKXJW-VBKZILBWSA-N 0 1 382.460 3.095 20 0 GGADMN COCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000175005656 1427492733 /nfs/dbraw/zinc/49/27/33/1427492733.db2.gz JRMIUMVJPAWFFZ-UHFFFAOYSA-N 0 1 397.519 3.414 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000826231986 1427492747 /nfs/dbraw/zinc/49/27/47/1427492747.db2.gz ZZGFEGRZHRYEIA-CYBMUJFWSA-N 0 1 396.520 3.486 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)cccc3OC(F)F)ccc21 ZINC000175013651 1427497700 /nfs/dbraw/zinc/49/77/00/1427497700.db2.gz WAHNAFQGYWSBFM-UHFFFAOYSA-N 0 1 396.415 3.306 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000819940058 1427499108 /nfs/dbraw/zinc/49/91/08/1427499108.db2.gz OKRIXSLRJSNJGM-IUODEOHRSA-N 0 1 392.529 3.101 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000175015340 1427499489 /nfs/dbraw/zinc/49/94/89/1427499489.db2.gz KBXCGOIXQBATOS-UHFFFAOYSA-N 0 1 380.441 3.035 20 0 GGADMN Cc1csc(C2(NCCC(=O)NC(=O)NCc3ccccc3)CCCC2)n1 ZINC000175020182 1427503249 /nfs/dbraw/zinc/50/32/49/1427503249.db2.gz ACAGIOYPCZMEOT-UHFFFAOYSA-N 0 1 386.521 3.227 20 0 GGADMN Cc1cccc(CN2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)c1 ZINC000175028528 1427507957 /nfs/dbraw/zinc/50/79/57/1427507957.db2.gz BPCRERFACYFQOW-UHFFFAOYSA-N 0 1 376.504 3.457 20 0 GGADMN Cc1nc(C(C)(C)NC(=O)c2ccc(CN3CCN(C)CC3)cc2)sc1C ZINC000175044080 1427516216 /nfs/dbraw/zinc/51/62/16/1427516216.db2.gz OBINYEYXMRMZFH-UHFFFAOYSA-N 0 1 386.565 3.172 20 0 GGADMN COc1cc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)cc(OC)c1OC ZINC000175050025 1427520009 /nfs/dbraw/zinc/52/00/09/1427520009.db2.gz ZFPIYOGOFSCLQG-UHFFFAOYSA-N 0 1 383.448 3.146 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000175053656 1427521433 /nfs/dbraw/zinc/52/14/33/1427521433.db2.gz GELKKXQYXZMXDO-UHFFFAOYSA-N 0 1 396.878 3.394 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1C)c1ccsc1 ZINC000175061392 1427525871 /nfs/dbraw/zinc/52/58/71/1427525871.db2.gz PUIFXYCNBBIGFO-KRWDZBQOSA-N 0 1 377.485 3.333 20 0 GGADMN C[N@@H+](CCOc1ccccc1Br)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825946279 1427527122 /nfs/dbraw/zinc/52/71/22/1427527122.db2.gz QZGFQDUGYXCOOC-UHFFFAOYSA-N 0 1 388.269 3.140 20 0 GGADMN CN(CC(=O)N(C)C1c2ccccc2-c2ccccc21)c1ncnc2[nH]cnc21 ZINC000175071599 1427530926 /nfs/dbraw/zinc/53/09/26/1427530926.db2.gz IEDXNHGMGVFNCC-UHFFFAOYSA-N 0 1 384.443 3.018 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1cccc(Br)c1 ZINC000175077028 1427533919 /nfs/dbraw/zinc/53/39/19/1427533919.db2.gz YBEUDNZBFDLCGD-UHFFFAOYSA-N 0 1 376.326 3.372 20 0 GGADMN CN(CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)Cc1nccs1 ZINC000175079653 1427535244 /nfs/dbraw/zinc/53/52/44/1427535244.db2.gz QQINLUNQRSHOGY-UHFFFAOYSA-N 0 1 394.544 3.073 20 0 GGADMN O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823350161 1427536009 /nfs/dbraw/zinc/53/60/09/1427536009.db2.gz BDGWBHWOMQDLDP-UHFFFAOYSA-N 0 1 398.492 3.045 20 0 GGADMN CN1CCOc2ccc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc21 ZINC000175083782 1427537890 /nfs/dbraw/zinc/53/78/90/1427537890.db2.gz LNXIRJTXAWMJNP-UHFFFAOYSA-N 0 1 398.482 3.440 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccnn1CCc1ccccc1 ZINC000175088204 1427540119 /nfs/dbraw/zinc/54/01/19/1427540119.db2.gz LRVIDJZPRMTKLN-UHFFFAOYSA-N 0 1 377.520 3.371 20 0 GGADMN Clc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1-c1nnn[n-]1 ZINC000737572960 1427547106 /nfs/dbraw/zinc/54/71/06/1427547106.db2.gz BZCXGVGTXRMLNP-UHFFFAOYSA-N 0 1 399.886 3.002 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000175108096 1427551023 /nfs/dbraw/zinc/55/10/23/1427551023.db2.gz OIUAUSDMZIOJNQ-INIZCTEOSA-N 0 1 376.888 3.121 20 0 GGADMN CCOc1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1OC ZINC000175112017 1427552030 /nfs/dbraw/zinc/55/20/30/1427552030.db2.gz LAQJYNXWXVVSDO-UHFFFAOYSA-N 0 1 375.444 3.487 20 0 GGADMN CC(C)(CO)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819984186 1427559591 /nfs/dbraw/zinc/55/95/91/1427559591.db2.gz QDBWTRNDELBNNM-UHFFFAOYSA-N 0 1 395.507 3.334 20 0 GGADMN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000175125534 1427560063 /nfs/dbraw/zinc/56/00/63/1427560063.db2.gz QGGJDUONFPTWOH-UHFFFAOYSA-N 0 1 384.455 3.359 20 0 GGADMN CN(Cc1ccco1)Cc1ccccc1CNc1nnc(Cl)cc1C(N)=O ZINC000175142627 1427566420 /nfs/dbraw/zinc/56/64/20/1427566420.db2.gz MIOYKWZAOWGAEZ-UHFFFAOYSA-N 0 1 385.855 3.066 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820938814 1427567536 /nfs/dbraw/zinc/56/75/36/1427567536.db2.gz MTJQNTNKAGRNPB-HXUWFJFHSA-N 0 1 398.461 3.414 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CCSC4(CCCCC4)C3)cc2)CC1 ZINC000175153025 1427570783 /nfs/dbraw/zinc/57/07/83/1427570783.db2.gz IPHQBLCQCQULDI-UHFFFAOYSA-N 0 1 387.593 3.326 20 0 GGADMN CC(C)(NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(F)c(F)c1 ZINC000175160576 1427574565 /nfs/dbraw/zinc/57/45/65/1427574565.db2.gz DIKAGRBAMWZICI-UHFFFAOYSA-N 0 1 386.402 3.013 20 0 GGADMN Cc1nnc(NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737519765 1427581673 /nfs/dbraw/zinc/58/16/73/1427581673.db2.gz DJRZPKKTQRVCIX-SJLPKXTDSA-N 0 1 394.527 3.451 20 0 GGADMN CCC(CC)c1cc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)on1 ZINC000175179501 1427584392 /nfs/dbraw/zinc/58/43/92/1427584392.db2.gz UHNOQHHLXPXDBA-UHFFFAOYSA-N 0 1 385.512 3.437 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C12CCCC2 ZINC000175179255 1427584557 /nfs/dbraw/zinc/58/45/57/1427584557.db2.gz ZTKCWNKKMPTHQW-WOJBJXKFSA-N 0 1 386.540 3.083 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)c1ccco1 ZINC000175179479 1427584901 /nfs/dbraw/zinc/58/49/01/1427584901.db2.gz RKIIBEDUFMSIHR-ZWKOTPCHSA-N 0 1 387.480 3.112 20 0 GGADMN Cc1cnc([C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C2CC2)s1 ZINC000175179979 1427585564 /nfs/dbraw/zinc/58/55/64/1427585564.db2.gz ZSWUSWQXUFOGFE-GOSISDBHSA-N 0 1 385.537 3.261 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)CO1 ZINC000822351002 1427587002 /nfs/dbraw/zinc/58/70/02/1427587002.db2.gz JCDDROZCPMTMER-LAUBAEHRSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)CO1 ZINC000822351002 1427587007 /nfs/dbraw/zinc/58/70/07/1427587007.db2.gz JCDDROZCPMTMER-LAUBAEHRSA-N 0 1 393.491 3.406 20 0 GGADMN CCNC(=O)c1ccc(C)c(NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175187437 1427589081 /nfs/dbraw/zinc/58/90/81/1427589081.db2.gz OOAZFFPDJKAGLI-UHFFFAOYSA-N 0 1 386.471 3.137 20 0 GGADMN O=C(NC1CCN(c2ncccn2)CC1)c1cc(Cl)c2ccccc2c1O ZINC000175196962 1427593536 /nfs/dbraw/zinc/59/35/36/1427593536.db2.gz SZKIPHAUVLYOLU-UHFFFAOYSA-N 0 1 382.851 3.388 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000175196675 1427593818 /nfs/dbraw/zinc/59/38/18/1427593818.db2.gz FZSHCMCSDQVTII-WIYYLYMNSA-N 0 1 388.556 3.320 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)CN3CCN(c4ccccn4)CC3)cc2[nH]1 ZINC000175207278 1427601003 /nfs/dbraw/zinc/60/10/03/1427601003.db2.gz SDNLMNDRWXTZMP-UHFFFAOYSA-N 0 1 392.507 3.016 20 0 GGADMN O=C(NCc1coc(-c2ccccc2)n1)NC1CCN(Cc2ccncc2)CC1 ZINC000175214430 1427605940 /nfs/dbraw/zinc/60/59/40/1427605940.db2.gz KIUIXVZCESLNAY-UHFFFAOYSA-N 0 1 391.475 3.200 20 0 GGADMN Cc1ccc(O[C@@H](C)CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000175214669 1427606357 /nfs/dbraw/zinc/60/63/57/1427606357.db2.gz FWBZHYZGEOKQHD-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000175213996 1427606515 /nfs/dbraw/zinc/60/65/15/1427606515.db2.gz OOVTVXAZRRHGTQ-SFHVURJKSA-N 0 1 396.535 3.327 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C12CCCC2 ZINC000175214306 1427606529 /nfs/dbraw/zinc/60/65/29/1427606529.db2.gz BMDAJNLHWHUKBX-WOJBJXKFSA-N 0 1 386.540 3.083 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000175214011 1427606601 /nfs/dbraw/zinc/60/66/01/1427606601.db2.gz OOVTVXAZRRHGTQ-GOSISDBHSA-N 0 1 396.535 3.327 20 0 GGADMN C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824413339 1427607225 /nfs/dbraw/zinc/60/72/25/1427607225.db2.gz KTOKMMDHZIEJEU-KKSFZXQISA-N 0 1 376.508 3.354 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000175221259 1427611125 /nfs/dbraw/zinc/61/11/25/1427611125.db2.gz BERABHWLAZEMJZ-CMDGGOBGSA-N 0 1 386.521 3.253 20 0 GGADMN CC(C)c1nn(C)c2sc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)cc12 ZINC000175221300 1427611205 /nfs/dbraw/zinc/61/12/05/1427611205.db2.gz BCRYDEZHYSSMRS-UHFFFAOYSA-N 0 1 399.520 3.171 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175221014 1427611242 /nfs/dbraw/zinc/61/12/42/1427611242.db2.gz MWONGFVMXICWNO-AUSIDOKSSA-N 0 1 377.488 3.080 20 0 GGADMN Cc1nc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)sc1C ZINC000175225562 1427612869 /nfs/dbraw/zinc/61/28/69/1427612869.db2.gz HHGUKMSHFPRJBJ-UHFFFAOYSA-N 0 1 376.501 3.363 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000820414547 1427618412 /nfs/dbraw/zinc/61/84/12/1427618412.db2.gz ZBBCLXXURYWANG-LSDHHAIUSA-N 0 1 376.464 3.405 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](C)Cc3cccs3)n2)cc1 ZINC000175260722 1427631351 /nfs/dbraw/zinc/63/13/51/1427631351.db2.gz QRDKSLSBQMNKTH-CYBMUJFWSA-N 0 1 385.493 3.220 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@H](C)Cc3cccs3)n[nH]2)cc1 ZINC000175260722 1427631362 /nfs/dbraw/zinc/63/13/62/1427631362.db2.gz QRDKSLSBQMNKTH-CYBMUJFWSA-N 0 1 385.493 3.220 20 0 GGADMN C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735985818 1427631711 /nfs/dbraw/zinc/63/17/11/1427631711.db2.gz NNIDJHJONFIEFD-AWEZNQCLSA-N 0 1 395.467 3.121 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C12CCCC2 ZINC000175261956 1427632159 /nfs/dbraw/zinc/63/21/59/1427632159.db2.gz XVFUNVQRICRAGU-SJORKVTESA-N 0 1 399.495 3.017 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C12CCCC2 ZINC000175261956 1427632167 /nfs/dbraw/zinc/63/21/67/1427632167.db2.gz XVFUNVQRICRAGU-SJORKVTESA-N 0 1 399.495 3.017 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](c3nc(C)cs3)C3CC3)n2)cc1 ZINC000175262569 1427632518 /nfs/dbraw/zinc/63/25/18/1427632518.db2.gz CLBYTXCSGKLSHH-MRXNPFEDSA-N 0 1 398.492 3.196 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](c3nc(C)cs3)C3CC3)n[nH]2)cc1 ZINC000175262569 1427632522 /nfs/dbraw/zinc/63/25/22/1427632522.db2.gz CLBYTXCSGKLSHH-MRXNPFEDSA-N 0 1 398.492 3.196 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000175267427 1427635779 /nfs/dbraw/zinc/63/57/79/1427635779.db2.gz PJRFEJHECJVAQA-UXHICEINSA-N 0 1 375.582 3.228 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000175267368 1427635865 /nfs/dbraw/zinc/63/58/65/1427635865.db2.gz PJRFEJHECJVAQA-VQTJNVASSA-N 0 1 375.582 3.228 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000175267697 1427635959 /nfs/dbraw/zinc/63/59/59/1427635959.db2.gz YLXZPXMKJGOESC-VQTJNVASSA-N 0 1 375.582 3.228 20 0 GGADMN Cc1nn(-c2ccccc2)c(CN2CCS[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826332350 1427637315 /nfs/dbraw/zinc/63/73/15/1427637315.db2.gz RARGLLRVWBMLIX-AEFFLSMTSA-N 0 1 395.536 3.221 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826332350 1427637318 /nfs/dbraw/zinc/63/73/18/1427637318.db2.gz RARGLLRVWBMLIX-AEFFLSMTSA-N 0 1 395.536 3.221 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826332350 1427637320 /nfs/dbraw/zinc/63/73/20/1427637320.db2.gz RARGLLRVWBMLIX-AEFFLSMTSA-N 0 1 395.536 3.221 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000175295294 1427653321 /nfs/dbraw/zinc/65/33/21/1427653321.db2.gz AVRHAGSWHQUTAL-JWTNVVGKSA-N 0 1 399.535 3.171 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000175296100 1427654737 /nfs/dbraw/zinc/65/47/37/1427654737.db2.gz LIOAXRHCAJLCCU-JKSUJKDBSA-N 0 1 391.562 3.256 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000175298632 1427656455 /nfs/dbraw/zinc/65/64/55/1427656455.db2.gz VPPZMOKJJJBLIQ-UHFFFAOYSA-N 0 1 392.503 3.500 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000175298367 1427656963 /nfs/dbraw/zinc/65/69/63/1427656963.db2.gz BBRMEPVUFZHULT-UHFFFAOYSA-N 0 1 398.507 3.237 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1cncc(F)c1 ZINC000175299476 1427658051 /nfs/dbraw/zinc/65/80/51/1427658051.db2.gz DNIGTHKDGLMATL-QPJJXVBHSA-N 0 1 384.455 3.023 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCOCc1ccccc1 ZINC000175299219 1427658142 /nfs/dbraw/zinc/65/81/42/1427658142.db2.gz SYDGVNFLMDYPQG-UHFFFAOYSA-N 0 1 397.519 3.383 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1cccc2ccccc21 ZINC000175299853 1427659289 /nfs/dbraw/zinc/65/92/89/1427659289.db2.gz XIDRSPYUPFMQQI-UHFFFAOYSA-N 0 1 375.453 3.155 20 0 GGADMN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175300774 1427660024 /nfs/dbraw/zinc/66/00/24/1427660024.db2.gz HUQXMYUDSWFTTG-NSHDSACASA-N 0 1 389.427 3.183 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000175300500 1427660188 /nfs/dbraw/zinc/66/01/88/1427660188.db2.gz HMSGLFBRUMUPCW-AWEZNQCLSA-N 0 1 397.500 3.350 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(C(C)(C)C)c1 ZINC000175301445 1427660942 /nfs/dbraw/zinc/66/09/42/1427660942.db2.gz RPRNWJXMHKKLTQ-UHFFFAOYSA-N 0 1 385.512 3.041 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCc1ccccn1 ZINC000175302481 1427661787 /nfs/dbraw/zinc/66/17/87/1427661787.db2.gz XDRCKLLRDFCOHA-UHFFFAOYSA-N 0 1 382.508 3.194 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(SC)o1 ZINC000175304093 1427662705 /nfs/dbraw/zinc/66/27/05/1427662705.db2.gz MNCYTFBIRCGQQP-UHFFFAOYSA-N 0 1 375.494 3.404 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1ccc(C)cc1 ZINC000175304744 1427662822 /nfs/dbraw/zinc/66/28/22/1427662822.db2.gz WVZATDJAGCQNLX-UHFFFAOYSA-N 0 1 383.492 3.163 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc2oc(C3CC3)nc2c1 ZINC000175303669 1427663413 /nfs/dbraw/zinc/66/34/13/1427663413.db2.gz OXSWQAHHFHSHRB-UHFFFAOYSA-N 0 1 392.440 3.343 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000175305503 1427663727 /nfs/dbraw/zinc/66/37/27/1427663727.db2.gz PZZHRHSLPAYNQR-KRWDZBQOSA-N 0 1 383.492 3.243 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1ccc(OC)cc1 ZINC000175305328 1427664439 /nfs/dbraw/zinc/66/44/39/1427664439.db2.gz QMJKGZDGYRWPDW-UHFFFAOYSA-N 0 1 397.519 3.417 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CCO2)n[nH]1 ZINC000175316260 1427672247 /nfs/dbraw/zinc/67/22/47/1427672247.db2.gz PCYJGRVNAGNFBY-CVEARBPZSA-N 0 1 375.860 3.001 20 0 GGADMN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cccc2cn[nH]c21 ZINC000175319644 1427674708 /nfs/dbraw/zinc/67/47/08/1427674708.db2.gz DUACSUPOXMSXCS-UHFFFAOYSA-N 0 1 379.811 3.322 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000175319563 1427674855 /nfs/dbraw/zinc/67/48/55/1427674855.db2.gz FMBOLIJZCAVAMO-UHFFFAOYSA-N 0 1 397.563 3.330 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000175325476 1427679813 /nfs/dbraw/zinc/67/98/13/1427679813.db2.gz KJAOEZZPNFQJJS-GSVIPDFHSA-N 0 1 399.579 3.407 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000175327343 1427680677 /nfs/dbraw/zinc/68/06/77/1427680677.db2.gz ZQNKINIOKONGIU-UHFFFAOYSA-N 0 1 385.552 3.018 20 0 GGADMN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000175337624 1427688649 /nfs/dbraw/zinc/68/86/49/1427688649.db2.gz MAGWPSQPQZVZQE-INIZCTEOSA-N 0 1 396.528 3.002 20 0 GGADMN CC[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000175339702 1427690224 /nfs/dbraw/zinc/69/02/24/1427690224.db2.gz DOCUZHQNURZUSY-FPOVZHCZSA-N 0 1 387.568 3.497 20 0 GGADMN CSCCc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000175340679 1427691114 /nfs/dbraw/zinc/69/11/14/1427691114.db2.gz IIPNFJYETJLBFT-UHFFFAOYSA-N 0 1 385.514 3.229 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)N1CCN(C)CC1 ZINC000175348902 1427697396 /nfs/dbraw/zinc/69/73/96/1427697396.db2.gz DGVDYGSHNOIEBI-ORYQWCPZSA-N 0 1 390.547 3.020 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCC1(Sc2ccccc2)CC1 ZINC000175350257 1427697945 /nfs/dbraw/zinc/69/79/45/1427697945.db2.gz RFJOMENWXSECGK-UHFFFAOYSA-N 0 1 397.525 3.126 20 0 GGADMN CC[C@H](NC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)C(C)(C)c1ccccc1 ZINC000175350196 1427698026 /nfs/dbraw/zinc/69/80/26/1427698026.db2.gz DLLURFMUNDUFDM-RTWAWAEBSA-N 0 1 386.584 3.164 20 0 GGADMN Cn1cc(C[N@@H+](C)CCc2ccccc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825945930 1427698598 /nfs/dbraw/zinc/69/85/98/1427698598.db2.gz BJUVHXQTIPEGPV-UHFFFAOYSA-N 0 1 391.454 3.081 20 0 GGADMN Cn1cc(C[N@H+](C)CCc2ccccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825945930 1427698600 /nfs/dbraw/zinc/69/86/00/1427698600.db2.gz BJUVHXQTIPEGPV-UHFFFAOYSA-N 0 1 391.454 3.081 20 0 GGADMN Cn1cc(C[N@@H+](C)CCc2ccccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825945930 1427698601 /nfs/dbraw/zinc/69/86/01/1427698601.db2.gz BJUVHXQTIPEGPV-UHFFFAOYSA-N 0 1 391.454 3.081 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1 ZINC000175351766 1427698878 /nfs/dbraw/zinc/69/88/78/1427698878.db2.gz RABBFSOCXLPEOV-UHFFFAOYSA-N 0 1 387.455 3.185 20 0 GGADMN CC(C)[C@H](CNC(=O)NC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000175357219 1427702711 /nfs/dbraw/zinc/70/27/11/1427702711.db2.gz ICVMEKWCHGJSNP-NRFANRHFSA-N 0 1 381.524 3.180 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCc3ccccc3CN3CCCC3=O)[nH]c21 ZINC000175357349 1427702790 /nfs/dbraw/zinc/70/27/90/1427702790.db2.gz QOTMFJYVENJSKJ-UHFFFAOYSA-N 0 1 390.487 3.243 20 0 GGADMN CCC(CC)(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000820887606 1427703525 /nfs/dbraw/zinc/70/35/25/1427703525.db2.gz IQWFFFIZQYWRRH-UHFFFAOYSA-N 0 1 380.518 3.101 20 0 GGADMN CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000824860513 1427704801 /nfs/dbraw/zinc/70/48/01/1427704801.db2.gz VIABDMJHMDCJFU-UHFFFAOYSA-N 0 1 386.525 3.178 20 0 GGADMN CC1=CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000824860513 1427704804 /nfs/dbraw/zinc/70/48/04/1427704804.db2.gz VIABDMJHMDCJFU-UHFFFAOYSA-N 0 1 386.525 3.178 20 0 GGADMN CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000824860513 1427704805 /nfs/dbraw/zinc/70/48/05/1427704805.db2.gz VIABDMJHMDCJFU-UHFFFAOYSA-N 0 1 386.525 3.178 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)ccc1OC(F)F ZINC000826179036 1427709553 /nfs/dbraw/zinc/70/95/53/1427709553.db2.gz WAPDHORLFDGFCG-UHFFFAOYSA-N 0 1 381.408 3.170 20 0 GGADMN CC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(F)cc1F ZINC000175367180 1427710690 /nfs/dbraw/zinc/71/06/90/1427710690.db2.gz GCWIYCWPKZJHKG-OAHLLOKOSA-N 0 1 389.427 3.231 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175366684 1427710912 /nfs/dbraw/zinc/71/09/12/1427710912.db2.gz BBMJDFKCMSXHAQ-DZGCQCFKSA-N 0 1 397.475 3.229 20 0 GGADMN CC[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(F)cc1F ZINC000175367162 1427710977 /nfs/dbraw/zinc/71/09/77/1427710977.db2.gz GCWIYCWPKZJHKG-HNNXBMFYSA-N 0 1 389.427 3.231 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCN1C[C@@H](C)O ZINC000175370021 1427713381 /nfs/dbraw/zinc/71/33/81/1427713381.db2.gz KEWQXFWZIZCOKZ-DGCLKSJQSA-N 0 1 377.382 3.153 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CCN1C[C@@H](C)O ZINC000175370420 1427713524 /nfs/dbraw/zinc/71/35/24/1427713524.db2.gz CHFRVSLOEVHZAN-HZPDHXFCSA-N 0 1 393.576 3.245 20 0 GGADMN CCN1CCC[C@@H]1CNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000175386233 1427723864 /nfs/dbraw/zinc/72/38/64/1427723864.db2.gz QMGHXDIRGPGKOE-OAHLLOKOSA-N 0 1 397.441 3.193 20 0 GGADMN CCOc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000175390771 1427727137 /nfs/dbraw/zinc/72/71/37/1427727137.db2.gz QFELFWOIHPPEBD-JYAKTIFJSA-N 0 1 391.533 3.255 20 0 GGADMN COCCCOc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000175391369 1427727254 /nfs/dbraw/zinc/72/72/54/1427727254.db2.gz YKGKDLBPHKOFGO-SFHVURJKSA-N 0 1 382.504 3.279 20 0 GGADMN CCCCOc1cc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)ccc1OC ZINC000821077810 1427729181 /nfs/dbraw/zinc/72/91/81/1427729181.db2.gz UUBBMDDRHHPHRG-UHFFFAOYSA-N 0 1 385.443 3.483 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CCS1 ZINC000175397628 1427731302 /nfs/dbraw/zinc/73/13/02/1427731302.db2.gz QIOYVRXHWBMGDT-QKLQHJQFSA-N 0 1 391.581 3.333 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CCS1 ZINC000175397647 1427731450 /nfs/dbraw/zinc/73/14/50/1427731450.db2.gz QIOYVRXHWBMGDT-MBOZVWFJSA-N 0 1 391.581 3.333 20 0 GGADMN CN(CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccc(F)cc1 ZINC000175402784 1427734566 /nfs/dbraw/zinc/73/45/66/1427734566.db2.gz YRWHRTBHBFIXIM-HXUWFJFHSA-N 0 1 387.455 3.247 20 0 GGADMN CN(CCNC(=O)Nc1cnn(Cc2ccccc2)c1)Cc1ccc(F)cc1 ZINC000175406935 1427736485 /nfs/dbraw/zinc/73/64/85/1427736485.db2.gz VJUIDRAAJWAUJX-UHFFFAOYSA-N 0 1 381.455 3.324 20 0 GGADMN Cc1cc(N2CCC[C@@H](Nc3c(Cl)cccc3-c3nnn[n-]3)C2)nc(C)[nH+]1 ZINC000822207139 1427740106 /nfs/dbraw/zinc/74/01/06/1427740106.db2.gz MEMIGYUBMORGQA-CYBMUJFWSA-N 0 1 384.875 3.008 20 0 GGADMN Cc1cc(C)cc(OC[C@@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175414958 1427741520 /nfs/dbraw/zinc/74/15/20/1427741520.db2.gz BHJSIMNLYKUFFP-IAKTWSEQSA-N 0 1 375.534 3.474 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)COCc1ccccc1F ZINC000175414718 1427741698 /nfs/dbraw/zinc/74/16/98/1427741698.db2.gz QUGZJGPMGRRYQI-NZNCXITGSA-N 0 1 379.497 3.134 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCc3cccnc3OCC(F)(F)F)[nH]c21 ZINC000175414816 1427742007 /nfs/dbraw/zinc/74/20/07/1427742007.db2.gz AEWWKZOOVJVMKF-UHFFFAOYSA-N 0 1 392.381 3.456 20 0 GGADMN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000175419302 1427744914 /nfs/dbraw/zinc/74/49/14/1427744914.db2.gz FANLJPOZEIYRQQ-HXUWFJFHSA-N 0 1 385.483 3.369 20 0 GGADMN C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1nc(C2CCCCC2)no1 ZINC000175427815 1427748913 /nfs/dbraw/zinc/74/89/13/1427748913.db2.gz FIFIFPLYGWTHOZ-MRXNPFEDSA-N 0 1 390.528 3.330 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569575 1427755262 /nfs/dbraw/zinc/75/52/62/1427755262.db2.gz IVNNTMKBWPIBLW-DIFFPNOSSA-N 0 1 390.413 3.238 20 0 GGADMN COCCOc1cc(NC(=O)CCc2nc3cccc(C)c3[nH]2)ccc1OC ZINC000175439641 1427755780 /nfs/dbraw/zinc/75/57/80/1427755780.db2.gz CTDHNPHEFOEGMF-UHFFFAOYSA-N 0 1 383.448 3.476 20 0 GGADMN COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821720708 1427759532 /nfs/dbraw/zinc/75/95/32/1427759532.db2.gz WLYVUEVWBVXMMV-JTQLQIEISA-N 0 1 375.379 3.013 20 0 GGADMN COc1ccc(C(=O)N2CCN(C[C@@H](C)c3ccccc3)CC2)c(OC)c1OC ZINC000175463996 1427768902 /nfs/dbraw/zinc/76/89/02/1427768902.db2.gz RHEWDFDXQFJOLE-QGZVFWFLSA-N 0 1 398.503 3.274 20 0 GGADMN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCN(C2CCOCC2)CC1 ZINC000175465148 1427769333 /nfs/dbraw/zinc/76/93/33/1427769333.db2.gz BILXHGCRQPMMLD-UHFFFAOYSA-N 0 1 377.460 3.086 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000175468471 1427771472 /nfs/dbraw/zinc/77/14/72/1427771472.db2.gz HXYPJCVIKRQVKX-QGZVFWFLSA-N 0 1 379.476 3.235 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000175470783 1427771781 /nfs/dbraw/zinc/77/17/81/1427771781.db2.gz RVEOSHWNJWPPOU-UHFFFAOYSA-N 0 1 393.838 3.326 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCc3cccc(CN4CCCC4=O)c3)[nH]c21 ZINC000175479572 1427777535 /nfs/dbraw/zinc/77/75/35/1427777535.db2.gz YHCQOJXZOKIKIF-UHFFFAOYSA-N 0 1 390.487 3.243 20 0 GGADMN Clc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000822582053 1427778061 /nfs/dbraw/zinc/77/80/61/1427778061.db2.gz PHFCZRCVMZTNKG-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000822582053 1427778066 /nfs/dbraw/zinc/77/80/66/1427778066.db2.gz PHFCZRCVMZTNKG-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000822582053 1427778074 /nfs/dbraw/zinc/77/80/74/1427778074.db2.gz PHFCZRCVMZTNKG-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN CCc1ccc([C@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000175489040 1427783845 /nfs/dbraw/zinc/78/38/45/1427783845.db2.gz BQRGOXLHOLHIAP-JKSUJKDBSA-N 0 1 385.483 3.032 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCc3cccc(N4CCCC4=O)c3)[nH]c21 ZINC000175495109 1427788750 /nfs/dbraw/zinc/78/87/50/1427788750.db2.gz XASYKWHJXFMFMO-UHFFFAOYSA-N 0 1 376.460 3.247 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)CCO2)n[nH]1 ZINC000175503968 1427793330 /nfs/dbraw/zinc/79/33/30/1427793330.db2.gz JXXOSCQLSGNUIB-SJORKVTESA-N 0 1 389.887 3.391 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)CCO2)n[nH]1 ZINC000175503914 1427793769 /nfs/dbraw/zinc/79/37/69/1427793769.db2.gz JXXOSCQLSGNUIB-DLBZAZTESA-N 0 1 389.887 3.391 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3ccc(C(=O)N(C)C)cc3)CC2)CC1 ZINC000175505646 1427794167 /nfs/dbraw/zinc/79/41/67/1427794167.db2.gz FCBNVJYRAGDJCU-UHFFFAOYSA-N 0 1 385.552 3.361 20 0 GGADMN CN(CCc1cccs1)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000175507392 1427795455 /nfs/dbraw/zinc/79/54/55/1427795455.db2.gz YGDJJLTYCDTXEI-UHFFFAOYSA-N 0 1 386.565 3.144 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735856093 1427795916 /nfs/dbraw/zinc/79/59/16/1427795916.db2.gz BPBWORLEBUYJDP-UHFFFAOYSA-N 0 1 388.479 3.262 20 0 GGADMN CC(C)[N@H+](C)Cc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735856093 1427795920 /nfs/dbraw/zinc/79/59/20/1427795920.db2.gz BPBWORLEBUYJDP-UHFFFAOYSA-N 0 1 388.479 3.262 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735856093 1427795925 /nfs/dbraw/zinc/79/59/25/1427795925.db2.gz BPBWORLEBUYJDP-UHFFFAOYSA-N 0 1 388.479 3.262 20 0 GGADMN CC[C@@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175508305 1427796139 /nfs/dbraw/zinc/79/61/39/1427796139.db2.gz FEEJYLLCADKBJT-MAUKXSAKSA-N 0 1 384.442 3.380 20 0 GGADMN CC[C@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175508289 1427796336 /nfs/dbraw/zinc/79/63/36/1427796336.db2.gz FEEJYLLCADKBJT-YJBOKZPZSA-N 0 1 384.442 3.380 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3cccc(C(=O)N(C)C)c3)CC2)CC1 ZINC000175508355 1427796365 /nfs/dbraw/zinc/79/63/65/1427796365.db2.gz VCXZLQYPOWUZFZ-UHFFFAOYSA-N 0 1 385.552 3.361 20 0 GGADMN Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737509273 1427801201 /nfs/dbraw/zinc/80/12/01/1427801201.db2.gz AKUBCDXLZGDLBE-UHFFFAOYSA-N 0 1 393.426 3.130 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NCC3CCC(c4ccccc4)CC3)CCO2)n[nH]1 ZINC000175518740 1427801499 /nfs/dbraw/zinc/80/14/99/1427801499.db2.gz PXRRYTAXRYVFRO-KVZIAJEVSA-N 0 1 383.496 3.170 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NCC3CCC(c4ccccc4)CC3)CCO2)n[nH]1 ZINC000175518760 1427801567 /nfs/dbraw/zinc/80/15/67/1427801567.db2.gz PXRRYTAXRYVFRO-NKELODKYSA-N 0 1 383.496 3.170 20 0 GGADMN COc1ccc(-c2nc(CN3CCN(CCCCCO)CC3)cs2)cc1 ZINC000175525151 1427803842 /nfs/dbraw/zinc/80/38/42/1427803842.db2.gz XQKODJZYCFRMRI-UHFFFAOYSA-N 0 1 375.538 3.099 20 0 GGADMN COCCOCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000175526511 1427803857 /nfs/dbraw/zinc/80/38/57/1427803857.db2.gz VCUQUBHRKXDPGG-HXUWFJFHSA-N 0 1 377.506 3.376 20 0 GGADMN COCCOCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000175526532 1427803987 /nfs/dbraw/zinc/80/39/87/1427803987.db2.gz VCUQUBHRKXDPGG-FQEVSTJZSA-N 0 1 377.506 3.376 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1ccccc1 ZINC000175542918 1427809467 /nfs/dbraw/zinc/80/94/67/1427809467.db2.gz MLQMFSODTHTCIB-NRFANRHFSA-N 0 1 389.503 3.370 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1ccccc1 ZINC000175542932 1427809666 /nfs/dbraw/zinc/80/96/66/1427809666.db2.gz MLQMFSODTHTCIB-OAQYLSRUSA-N 0 1 389.503 3.370 20 0 GGADMN CS[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826226863 1427810389 /nfs/dbraw/zinc/81/03/89/1427810389.db2.gz HQZUSZUAILSIBM-DLBZAZTESA-N 0 1 383.525 3.031 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCO)[C@H]1CCCc2ccccc21)c1cccs1 ZINC000175546436 1427810763 /nfs/dbraw/zinc/81/07/63/1427810763.db2.gz SDWQEXIVHWJJDU-OALUTQOASA-N 0 1 387.549 3.432 20 0 GGADMN C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000175549137 1427811515 /nfs/dbraw/zinc/81/15/15/1427811515.db2.gz XVPVSXXSPSWPHA-GOSISDBHSA-N 0 1 383.536 3.464 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000175554446 1427813504 /nfs/dbraw/zinc/81/35/04/1427813504.db2.gz SKRWABMUGVECDA-UXHICEINSA-N 0 1 383.492 3.108 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000175554514 1427813535 /nfs/dbraw/zinc/81/35/35/1427813535.db2.gz QIPTTWNUCAUFJG-SFTDATJTSA-N 0 1 397.519 3.498 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000175554486 1427813695 /nfs/dbraw/zinc/81/36/95/1427813695.db2.gz SKRWABMUGVECDA-WOJBJXKFSA-N 0 1 383.492 3.108 20 0 GGADMN CN(CCNC(=O)NCc1ccccc1Cn1cccn1)Cc1ccc(F)cc1 ZINC000175564107 1427816554 /nfs/dbraw/zinc/81/65/54/1427816554.db2.gz POMCAIORWNLDFV-UHFFFAOYSA-N 0 1 395.482 3.002 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175570250 1427818118 /nfs/dbraw/zinc/81/81/18/1427818118.db2.gz BIMGGEQSYKRCTO-LSDHHAIUSA-N 0 1 385.430 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1cccc(F)c1 ZINC000175571262 1427818666 /nfs/dbraw/zinc/81/86/66/1427818666.db2.gz LKSPIUITNKDWNT-PPHZAIPVSA-N 0 1 391.512 3.007 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)N(C)C)c1 ZINC000175571965 1427819124 /nfs/dbraw/zinc/81/91/24/1427819124.db2.gz ROCSSIPODFEBGL-YZGWKJHDSA-N 0 1 377.529 3.048 20 0 GGADMN CC[C@@H](Oc1ccccc1F)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000175572094 1427819234 /nfs/dbraw/zinc/81/92/34/1427819234.db2.gz BYGREWSDPZVXMS-MRXNPFEDSA-N 0 1 384.411 3.093 20 0 GGADMN CC[C@@H](Oc1ccccc1F)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000175572094 1427819235 /nfs/dbraw/zinc/81/92/35/1427819235.db2.gz BYGREWSDPZVXMS-MRXNPFEDSA-N 0 1 384.411 3.093 20 0 GGADMN O=C(NCC(c1ccccc1)c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175586999 1427823206 /nfs/dbraw/zinc/82/32/06/1427823206.db2.gz MJNZUWPBNVKELZ-HXUWFJFHSA-N 0 1 393.531 3.182 20 0 GGADMN CCOc1ccc(CNC(=O)NCCN(C)Cc2ccc(F)cc2)cc1OC ZINC000175592351 1427825233 /nfs/dbraw/zinc/82/52/33/1427825233.db2.gz PIYGNQWJVWFLRI-UHFFFAOYSA-N 0 1 389.471 3.164 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2)cs1 ZINC000175594430 1427826179 /nfs/dbraw/zinc/82/61/79/1427826179.db2.gz XEHXEEMRRJBVEK-UHFFFAOYSA-N 0 1 386.521 3.447 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3cccc(OCCn4cncn4)c3)[nH]c21 ZINC000175610301 1427831026 /nfs/dbraw/zinc/83/10/26/1427831026.db2.gz CZJAIULSFMNAFD-UHFFFAOYSA-N 0 1 390.447 3.113 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737343638 1427832192 /nfs/dbraw/zinc/83/21/92/1427832192.db2.gz QWWKCWDGVZFZKP-MRXNPFEDSA-N 0 1 382.899 3.445 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000822733265 1427832360 /nfs/dbraw/zinc/83/23/60/1427832360.db2.gz WAKVFTHFCOWCAW-NSHDSACASA-N 0 1 377.317 3.242 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000822733265 1427832361 /nfs/dbraw/zinc/83/23/61/1427832361.db2.gz WAKVFTHFCOWCAW-NSHDSACASA-N 0 1 377.317 3.242 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000822733265 1427832363 /nfs/dbraw/zinc/83/23/63/1427832363.db2.gz WAKVFTHFCOWCAW-NSHDSACASA-N 0 1 377.317 3.242 20 0 GGADMN CN(CCNC(=O)NCc1ccc(Cn2cccn2)cc1)Cc1ccc(F)cc1 ZINC000175622378 1427835352 /nfs/dbraw/zinc/83/53/52/1427835352.db2.gz BGBZQTNKSHQRIN-UHFFFAOYSA-N 0 1 395.482 3.002 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000175633674 1427838857 /nfs/dbraw/zinc/83/88/57/1427838857.db2.gz VJFLXIVASMCGTI-GOEBONIOSA-N 0 1 399.520 3.385 20 0 GGADMN CCCOc1ccc(Cl)cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000175635418 1427839470 /nfs/dbraw/zinc/83/94/70/1427839470.db2.gz RMODWXRBKNEUHT-UHFFFAOYSA-N 0 1 381.904 3.457 20 0 GGADMN C[C@@H]1CN(c2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)c[nH+]2)C[C@H](C)O1 ZINC000736289511 1427840895 /nfs/dbraw/zinc/84/08/95/1427840895.db2.gz MIWIGAUDHVFBAZ-BETUJISGSA-N 0 1 399.886 3.141 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)cc2)CC1 ZINC000175641680 1427841367 /nfs/dbraw/zinc/84/13/67/1427841367.db2.gz QPZDQZVFQIOMOV-UHFFFAOYSA-N 0 1 393.531 3.192 20 0 GGADMN O=C(C[C@@H]1CCOc2ccccc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000175650004 1427844419 /nfs/dbraw/zinc/84/44/19/1427844419.db2.gz VIIIPYLJVIEEJY-IBGZPJMESA-N 0 1 386.536 3.342 20 0 GGADMN Cc1c(C(=O)NCC2(CN3CCOCC3)CCCCC2)cnn1-c1ccccc1 ZINC000175651154 1427844866 /nfs/dbraw/zinc/84/48/66/1427844866.db2.gz ICDDYLKEAFZKCN-UHFFFAOYSA-N 0 1 396.535 3.193 20 0 GGADMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N(C)Cc2nnc[nH]2)cc1 ZINC000175653529 1427845929 /nfs/dbraw/zinc/84/59/29/1427845929.db2.gz VASRKNVVCOWRRY-UHFFFAOYSA-N 0 1 395.488 3.116 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821563739 1427846667 /nfs/dbraw/zinc/84/66/67/1427846667.db2.gz CTFQGTKYPJHIDH-ZDUSSCGKSA-N 0 1 377.452 3.096 20 0 GGADMN O=C(C[C@@H]1OCCc2ccccc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000175657448 1427847067 /nfs/dbraw/zinc/84/70/67/1427847067.db2.gz WYFBKENRQLGIRI-NRFANRHFSA-N 0 1 386.536 3.089 20 0 GGADMN C[C@H]1CN(C)c2ccccc2CN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000175658381 1427847632 /nfs/dbraw/zinc/84/76/32/1427847632.db2.gz HDWJIAIHTPHUQQ-SFHVURJKSA-N 0 1 393.535 3.096 20 0 GGADMN CCN(C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)CC(F)(F)F ZINC000175663431 1427849285 /nfs/dbraw/zinc/84/92/85/1427849285.db2.gz BMRFIOQFEVFFKN-LBPRGKRZSA-N 0 1 386.443 3.485 20 0 GGADMN CCN(C[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)CC(F)(F)F ZINC000175663456 1427849354 /nfs/dbraw/zinc/84/93/54/1427849354.db2.gz BMRFIOQFEVFFKN-GFCCVEGCSA-N 0 1 386.443 3.485 20 0 GGADMN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000175664946 1427849803 /nfs/dbraw/zinc/84/98/03/1427849803.db2.gz XKIUNIKUQBPHBD-UHFFFAOYSA-N 0 1 375.366 3.173 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 ZINC000175667772 1427850600 /nfs/dbraw/zinc/85/06/00/1427850600.db2.gz OPVORHMFKCTZLJ-SJLPKXTDSA-N 0 1 385.474 3.412 20 0 GGADMN CC1=NN(c2ccc(C(=O)NC3CCN(Cc4cccnc4)CC3)cc2)CC1 ZINC000175669833 1427850996 /nfs/dbraw/zinc/85/09/96/1427850996.db2.gz XEXPZYMYJBBRES-UHFFFAOYSA-N 0 1 377.492 3.062 20 0 GGADMN Cc1nc(-c2c[nH]c(C(=O)NC3CCN(Cc4cccnc4)CC3)c2)cs1 ZINC000175669396 1427851097 /nfs/dbraw/zinc/85/10/97/1427851097.db2.gz NDUIRFZHOVNZFX-UHFFFAOYSA-N 0 1 381.505 3.236 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000175669434 1427851266 /nfs/dbraw/zinc/85/12/66/1427851266.db2.gz AHMPKPYBOXMINT-KRWDZBQOSA-N 0 1 385.895 3.067 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc(Oc2cnccn2)c1 ZINC000175672582 1427852016 /nfs/dbraw/zinc/85/20/16/1427852016.db2.gz JDWTZKZIKJCZOW-UHFFFAOYSA-N 0 1 389.459 3.058 20 0 GGADMN O=C(Cc1ccccc1OC(F)F)NC1CCN(Cc2cccnc2)CC1 ZINC000175674385 1427852584 /nfs/dbraw/zinc/85/25/84/1427852584.db2.gz VQNARSOHRHYAGW-UHFFFAOYSA-N 0 1 375.419 3.006 20 0 GGADMN O=C(Cc1csc(-c2ccoc2)n1)NC1CCN(Cc2cccnc2)CC1 ZINC000175679296 1427854416 /nfs/dbraw/zinc/85/44/16/1427854416.db2.gz IKIYDTCMZPWZIA-UHFFFAOYSA-N 0 1 382.489 3.121 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)c2)CC1 ZINC000175681376 1427855348 /nfs/dbraw/zinc/85/53/48/1427855348.db2.gz QWFORDXNXUXEPF-LADGPHEKSA-N 0 1 375.516 3.277 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccccc1S(C)(=O)=O)N(C)Cc1ccccc1 ZINC000175682553 1427855604 /nfs/dbraw/zinc/85/56/04/1427855604.db2.gz BOENHDVFACFSCT-MRXNPFEDSA-N 0 1 389.521 3.122 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc4nc(-c5ccco5)[nH]c4c3)ccc2N1 ZINC000175684496 1427856091 /nfs/dbraw/zinc/85/60/91/1427856091.db2.gz LTAVTEFZZZDNQQ-UHFFFAOYSA-N 0 1 394.412 3.118 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175685962 1427856645 /nfs/dbraw/zinc/85/66/45/1427856645.db2.gz AMXNCOMTTSGEDD-BBRMVZONSA-N 0 1 391.903 3.433 20 0 GGADMN O=C(NCc1nccc2ccccc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000175689026 1427858450 /nfs/dbraw/zinc/85/84/50/1427858450.db2.gz OWWRNDWOLJXOQF-UHFFFAOYSA-N 0 1 396.535 3.317 20 0 GGADMN CCN(C[C@H]1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1)CC(F)(F)F ZINC000175691111 1427859366 /nfs/dbraw/zinc/85/93/66/1427859366.db2.gz UABRSNCVUUUHGD-IAGOWNOFSA-N 0 1 397.485 3.166 20 0 GGADMN C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl ZINC000175695353 1427861257 /nfs/dbraw/zinc/86/12/57/1427861257.db2.gz VTEXKDZNYCRZRF-HNNXBMFYSA-N 0 1 390.890 3.264 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000737203397 1427862411 /nfs/dbraw/zinc/86/24/11/1427862411.db2.gz UCLCLRTTZKEOJX-UHFFFAOYSA-N 0 1 387.532 3.317 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C)N1CCN(C)CC1 ZINC000175700132 1427863008 /nfs/dbraw/zinc/86/30/08/1427863008.db2.gz OHTTUNPKFQTTHB-PMACEKPBSA-N 0 1 392.563 3.484 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C)N1CCN(C)CC1 ZINC000175700152 1427863212 /nfs/dbraw/zinc/86/32/12/1427863212.db2.gz OHTTUNPKFQTTHB-WOJBJXKFSA-N 0 1 392.563 3.484 20 0 GGADMN CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820727953 1427863705 /nfs/dbraw/zinc/86/37/05/1427863705.db2.gz QXTMECIPGOKTMN-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000175706419 1427865667 /nfs/dbraw/zinc/86/56/67/1427865667.db2.gz GAUSMMGTKQBJME-BLLLJJGKSA-N 0 1 382.386 3.165 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3cccc(OC(F)(F)F)c3)C2=O)n(C)n1 ZINC000175707734 1427866003 /nfs/dbraw/zinc/86/60/03/1427866003.db2.gz XCFROXGBJUYLIO-SWLSCSKDSA-N 0 1 382.386 3.083 20 0 GGADMN COC(=O)COc1ccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000175717593 1427868827 /nfs/dbraw/zinc/86/88/27/1427868827.db2.gz UKPPGRPFAVNXQL-UHFFFAOYSA-N 0 1 381.432 3.303 20 0 GGADMN O=C(Nc1ccc(COC2CCCC2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175719569 1427869059 /nfs/dbraw/zinc/86/90/59/1427869059.db2.gz YISMVXGFEXMSIH-UHFFFAOYSA-N 0 1 387.524 3.474 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000175720360 1427869318 /nfs/dbraw/zinc/86/93/18/1427869318.db2.gz YUJBLPLZCSBCCQ-STQMWFEESA-N 0 1 386.887 3.093 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1OC)c1ccccc1 ZINC000175735214 1427873520 /nfs/dbraw/zinc/87/35/20/1427873520.db2.gz MDRHICPUQQVQGT-HXUWFJFHSA-N 0 1 383.492 3.419 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000737523110 1427876917 /nfs/dbraw/zinc/87/69/17/1427876917.db2.gz GTZKFAJXPWINBR-UHFFFAOYSA-N 0 1 392.511 3.436 20 0 GGADMN CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccccc4Cl)n[nH]3)cc21 ZINC000175756032 1427879940 /nfs/dbraw/zinc/87/99/40/1427879940.db2.gz ZWXDMOAQJFKKCQ-UHFFFAOYSA-N 0 1 382.807 3.338 20 0 GGADMN COc1ccccc1-c1nc(NC(=O)CCc2nc3cccc(C)c3[nH]2)n[nH]1 ZINC000175761186 1427882062 /nfs/dbraw/zinc/88/20/62/1427882062.db2.gz HCJYTPSQHSFPIJ-UHFFFAOYSA-N 0 1 376.420 3.236 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)n2)c(OC)c1 ZINC000175762816 1427883451 /nfs/dbraw/zinc/88/34/51/1427883451.db2.gz AVWLPNLZCLEJQX-JTSKRJEESA-N 0 1 390.443 3.332 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(CN3CCCC3=O)cc2)c(F)cc1F ZINC000175766256 1427884584 /nfs/dbraw/zinc/88/45/84/1427884584.db2.gz CUIVAPVSJBOANN-UHFFFAOYSA-N 0 1 380.416 3.196 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)CC(F)(F)F)cc2)n[nH]1 ZINC000175773918 1427887817 /nfs/dbraw/zinc/88/78/17/1427887817.db2.gz LTBFTHNKGONADZ-UHFFFAOYSA-N 0 1 399.373 3.387 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)CC(F)(F)F)cc2)n1 ZINC000175773918 1427887819 /nfs/dbraw/zinc/88/78/19/1427887819.db2.gz LTBFTHNKGONADZ-UHFFFAOYSA-N 0 1 399.373 3.387 20 0 GGADMN CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820102717 1427889702 /nfs/dbraw/zinc/88/97/02/1427889702.db2.gz HXWJCMBXUGJJOE-FQEVSTJZSA-N 0 1 395.507 3.460 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175785356 1427891785 /nfs/dbraw/zinc/89/17/85/1427891785.db2.gz ZAHHYKUYGZPBIR-IBGZPJMESA-N 0 1 390.487 3.172 20 0 GGADMN Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000175793899 1427895253 /nfs/dbraw/zinc/89/52/53/1427895253.db2.gz JIMRPLXXLFCQPI-DLBZAZTESA-N 0 1 393.487 3.467 20 0 GGADMN CO[C@H](C)c1noc(CN2CCCN(CCSc3ccc(F)cc3)CC2)n1 ZINC000175793141 1427895309 /nfs/dbraw/zinc/89/53/09/1427895309.db2.gz LSIROAOVCKUTCH-OAHLLOKOSA-N 0 1 394.516 3.216 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)cc2)c1 ZINC000175795299 1427896107 /nfs/dbraw/zinc/89/61/07/1427896107.db2.gz PBINLUKNDJDIOA-AEFFLSMTSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)N2CCCC2)o1 ZINC000175799111 1427897081 /nfs/dbraw/zinc/89/70/81/1427897081.db2.gz QYBUKFMTDUYATG-WGDIFIGCSA-N 0 1 375.494 3.284 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175805337 1427900062 /nfs/dbraw/zinc/90/00/62/1427900062.db2.gz KEZOMORDZWFKJC-KNQAVFIVSA-N 0 1 388.552 3.474 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175806697 1427900553 /nfs/dbraw/zinc/90/05/53/1427900553.db2.gz GMHZJSODDHXPAC-IAGOWNOFSA-N 0 1 384.524 3.347 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175806677 1427900676 /nfs/dbraw/zinc/90/06/76/1427900676.db2.gz GMHZJSODDHXPAC-IRXDYDNUSA-N 0 1 384.524 3.347 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](c3cccnc3)C(C)C)n2)cc1 ZINC000175809544 1427903004 /nfs/dbraw/zinc/90/30/04/1427903004.db2.gz JVAGORAYGMJCRI-SFHVURJKSA-N 0 1 394.479 3.114 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@H](c3cccnc3)C(C)C)n[nH]2)cc1 ZINC000175809544 1427903012 /nfs/dbraw/zinc/90/30/12/1427903012.db2.gz JVAGORAYGMJCRI-SFHVURJKSA-N 0 1 394.479 3.114 20 0 GGADMN c1coc(C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)Cc2cccnc2)c1 ZINC000826525231 1427904601 /nfs/dbraw/zinc/90/46/01/1427904601.db2.gz BGGXNNYOQMYZDY-UHFFFAOYSA-N 0 1 390.447 3.326 20 0 GGADMN c1coc(C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)Cc2cccnc2)c1 ZINC000826525231 1427904604 /nfs/dbraw/zinc/90/46/04/1427904604.db2.gz BGGXNNYOQMYZDY-UHFFFAOYSA-N 0 1 390.447 3.326 20 0 GGADMN COC(=O)C[C@H](NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000175813264 1427905757 /nfs/dbraw/zinc/90/57/57/1427905757.db2.gz QABYGHIFMSOGJA-VIFPVBQESA-N 0 1 386.139 3.070 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175814320 1427906354 /nfs/dbraw/zinc/90/63/54/1427906354.db2.gz SWCKHJOOACJLEJ-WMZOPIPTSA-N 0 1 376.497 3.434 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000175828041 1427915013 /nfs/dbraw/zinc/91/50/13/1427915013.db2.gz QCCCNYPYEDSQKX-CQSZACIVSA-N 0 1 380.448 3.416 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCN(C3CCOCC3)CC2)c1)C1CCCCC1 ZINC000175832495 1427917674 /nfs/dbraw/zinc/91/76/74/1427917674.db2.gz XQJRGAWNYASGKM-UHFFFAOYSA-N 0 1 399.535 3.142 20 0 GGADMN CN(CCNC(=O)NCc1cccc(N2CC=CC2)c1)Cc1ccc(F)cc1 ZINC000175834417 1427918650 /nfs/dbraw/zinc/91/86/50/1427918650.db2.gz BLRBDXQHYFNFGG-UHFFFAOYSA-N 0 1 382.483 3.133 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233000 1427920946 /nfs/dbraw/zinc/92/09/46/1427920946.db2.gz DWKNPRFGWNFITN-FMKPAKJESA-N 0 1 394.454 3.211 20 0 GGADMN Cc1ccnc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1-c1nn[n-]n1 ZINC000826314405 1427921724 /nfs/dbraw/zinc/92/17/24/1427921724.db2.gz VJXFMSKQCWUEMB-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccnc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826314405 1427921726 /nfs/dbraw/zinc/92/17/26/1427921726.db2.gz VJXFMSKQCWUEMB-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccnc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826314405 1427921728 /nfs/dbraw/zinc/92/17/28/1427921728.db2.gz VJXFMSKQCWUEMB-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN O=C(c1ccc(C2SCCCS2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175839238 1427922104 /nfs/dbraw/zinc/92/21/04/1427922104.db2.gz ODVFXMRUOJTTEL-UHFFFAOYSA-N 0 1 392.590 3.492 20 0 GGADMN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C4CCOCC4)CC3)c21 ZINC000175842724 1427924914 /nfs/dbraw/zinc/92/49/14/1427924914.db2.gz DUVSKPGNWLHZEX-UHFFFAOYSA-N 0 1 398.507 3.160 20 0 GGADMN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000175846136 1427927686 /nfs/dbraw/zinc/92/76/86/1427927686.db2.gz HMDOKRKJZOVZFP-OXJNMPFZSA-N 0 1 386.517 3.221 20 0 GGADMN C/C(=C\C(=O)NCc1cccnc1N1CCN(C)CC1)c1cccc(Cl)c1 ZINC000175845569 1427928020 /nfs/dbraw/zinc/92/80/20/1427928020.db2.gz WOHUJTFBUZPZHS-DTQAZKPQSA-N 0 1 384.911 3.207 20 0 GGADMN COCc1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000175847719 1427929609 /nfs/dbraw/zinc/92/96/09/1427929609.db2.gz MVGKVNXAPFHSML-PXNSSMCTSA-N 0 1 388.533 3.164 20 0 GGADMN OC1CC[NH+](Cc2ccccc2CNc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000823706855 1427930380 /nfs/dbraw/zinc/93/03/80/1427930380.db2.gz QCFBBKKWUIBKGF-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175849520 1427930675 /nfs/dbraw/zinc/93/06/75/1427930675.db2.gz FLYQSJGPJCQFRT-ROUUACIJSA-N 0 1 388.533 3.303 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000175852934 1427933995 /nfs/dbraw/zinc/93/39/95/1427933995.db2.gz RBDFTANJYYSSPQ-GOSISDBHSA-N 0 1 386.496 3.075 20 0 GGADMN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1nc(C2CCCCC2)no1 ZINC000175854149 1427934081 /nfs/dbraw/zinc/93/40/81/1427934081.db2.gz PQONDCDTRHBNIB-JTQLQIEISA-N 0 1 399.476 3.134 20 0 GGADMN C[C@@H]1CN(C(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)C[C@@H](C)O1 ZINC000175858501 1427936371 /nfs/dbraw/zinc/93/63/71/1427936371.db2.gz YAPVKTQVWAIYQH-TVFCKZIOSA-N 0 1 380.554 3.052 20 0 GGADMN COc1cc(C2(C(=O)N3CCN(C4CCOCC4)CC3)CCCC2)ccc1C ZINC000175864187 1427939721 /nfs/dbraw/zinc/93/97/21/1427939721.db2.gz HCVHRQCFBGFWGX-UHFFFAOYSA-N 0 1 386.536 3.139 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824564138 1427940495 /nfs/dbraw/zinc/94/04/95/1427940495.db2.gz SDRKXROEVLXYMM-VIFPVBQESA-N 0 1 392.797 3.088 20 0 GGADMN C[C@H](CNC(=O)N(CCO)[C@H]1CCc2ccccc21)N1CCc2ccccc2C1 ZINC000175869668 1427943287 /nfs/dbraw/zinc/94/32/87/1427943287.db2.gz GXKUACJFFLFCKR-JPYJTQIMSA-N 0 1 393.531 3.125 20 0 GGADMN C[C@@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)N1CCc2ccccc2C1 ZINC000175869370 1427943371 /nfs/dbraw/zinc/94/33/71/1427943371.db2.gz YMKPTRZAADNNKX-YMGMXPECSA-N 0 1 399.560 3.012 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578062 1427943835 /nfs/dbraw/zinc/94/38/35/1427943835.db2.gz PWRSCMMGCXEXEQ-SJKOYZFVSA-N 0 1 382.855 3.364 20 0 GGADMN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000175870222 1427944127 /nfs/dbraw/zinc/94/41/27/1427944127.db2.gz YKZFWBOEJFNTIQ-UHFFFAOYSA-N 0 1 387.524 3.397 20 0 GGADMN CC(C)N1CCC[C@H](N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)C1=O ZINC000175871519 1427944697 /nfs/dbraw/zinc/94/46/97/1427944697.db2.gz CFSZJOMZVPRJDG-IBGZPJMESA-N 0 1 393.572 3.497 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000820658108 1427945606 /nfs/dbraw/zinc/94/56/06/1427945606.db2.gz PKUPZFREHBPOCU-HNAYVOBHSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820658108 1427945610 /nfs/dbraw/zinc/94/56/10/1427945610.db2.gz PKUPZFREHBPOCU-HNAYVOBHSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000820658108 1427945616 /nfs/dbraw/zinc/94/56/16/1427945616.db2.gz PKUPZFREHBPOCU-HNAYVOBHSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1noc(Cc2ccccc2)n1 ZINC000175878093 1427947394 /nfs/dbraw/zinc/94/73/94/1427947394.db2.gz YFKOENADSCOAMW-JTQLQIEISA-N 0 1 397.378 3.117 20 0 GGADMN CCOC(=O)CN(Cc1ccccc1)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175884938 1427951548 /nfs/dbraw/zinc/95/15/48/1427951548.db2.gz ITZWFIAENLHUFA-UHFFFAOYSA-N 0 1 379.460 3.396 20 0 GGADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175891818 1427954670 /nfs/dbraw/zinc/95/46/70/1427954670.db2.gz UPJSAMNCABNVQE-LAUBAEHRSA-N 0 1 389.515 3.421 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1(CCO)CCCCC1 ZINC000175893378 1427955577 /nfs/dbraw/zinc/95/55/77/1427955577.db2.gz UMOXXASSSRVRKA-UHFFFAOYSA-N 0 1 388.556 3.201 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000826183708 1427961537 /nfs/dbraw/zinc/96/15/37/1427961537.db2.gz YEKRZLKVIZECDM-SFHVURJKSA-N 0 1 389.463 3.099 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000826183708 1427961541 /nfs/dbraw/zinc/96/15/41/1427961541.db2.gz YEKRZLKVIZECDM-SFHVURJKSA-N 0 1 389.463 3.099 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCOc3cccc(C(N)=O)c3)[nH]c2c1 ZINC000175905104 1427962605 /nfs/dbraw/zinc/96/26/05/1427962605.db2.gz NYJAVTQOSZBMBY-LJQANCHMSA-N 0 1 392.459 3.103 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(CC)CC ZINC000175912354 1427967252 /nfs/dbraw/zinc/96/72/52/1427967252.db2.gz ADLPMFOHQTUIOI-VQTJNVASSA-N 0 1 388.556 3.329 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(CC)CC ZINC000175912319 1427967668 /nfs/dbraw/zinc/96/76/68/1427967668.db2.gz ADLPMFOHQTUIOI-PMACEKPBSA-N 0 1 388.556 3.329 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)cc2)CC1 ZINC000175916431 1427970282 /nfs/dbraw/zinc/97/02/82/1427970282.db2.gz RNONYVIZZOHSKZ-UHFFFAOYSA-N 0 1 388.471 3.250 20 0 GGADMN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)C1(N2CCOCC2)CCCC1 ZINC000175925496 1427976208 /nfs/dbraw/zinc/97/62/08/1427976208.db2.gz GRLPKBBFLNVGAJ-QGTPRVQTSA-N 0 1 378.463 3.218 20 0 GGADMN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1cc(F)c(O)c(F)c1 ZINC000175925710 1427976244 /nfs/dbraw/zinc/97/62/44/1427976244.db2.gz XCAOQIPLAFELTJ-UHFFFAOYSA-N 0 1 381.404 3.135 20 0 GGADMN C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)C1(N2CCOCC2)CCCC1 ZINC000175926849 1427977962 /nfs/dbraw/zinc/97/79/62/1427977962.db2.gz JXCAECDAPJAWLS-QGZVFWFLSA-N 0 1 384.524 3.035 20 0 GGADMN COc1ccc(Cl)cc1CC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000175931862 1427981140 /nfs/dbraw/zinc/98/11/40/1427981140.db2.gz WTDXZJBBDAXKLP-OAHLLOKOSA-N 0 1 380.916 3.041 20 0 GGADMN C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C1(N2CCOCC2)CCCC1 ZINC000175933973 1427981679 /nfs/dbraw/zinc/98/16/79/1427981679.db2.gz ZQGNSQYFHCCZCZ-HNNXBMFYSA-N 0 1 384.442 3.398 20 0 GGADMN C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C1(N2CCOCC2)CCCC1 ZINC000175933987 1427981732 /nfs/dbraw/zinc/98/17/32/1427981732.db2.gz ZQGNSQYFHCCZCZ-OAHLLOKOSA-N 0 1 384.442 3.398 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3ccc(-n4ccnc4)nc3)n2)c(OC)c1 ZINC000175938679 1427984963 /nfs/dbraw/zinc/98/49/63/1427984963.db2.gz XPTDAGDGNBUXMF-UHFFFAOYSA-N 0 1 394.460 3.362 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC[N@H+]1C ZINC000736229808 1427985488 /nfs/dbraw/zinc/98/54/88/1427985488.db2.gz SDOKXQPVYTYMOQ-HOTGVXAUSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000736229808 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GGADMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN(C2CCOCC2)CC1 ZINC000176178742 1428143382 /nfs/dbraw/zinc/14/33/82/1428143382.db2.gz WNKMOPWFDCQJRA-KRWDZBQOSA-N 0 1 395.956 3.383 20 0 GGADMN COc1ccccc1CN1CCN(C(=O)CCc2nc3cccc(C)c3[nH]2)CC1 ZINC000176182031 1428146359 /nfs/dbraw/zinc/14/63/59/1428146359.db2.gz VZWLJTPWGUFJLR-UHFFFAOYSA-N 0 1 392.503 3.157 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737420617 1428148999 /nfs/dbraw/zinc/14/89/99/1428148999.db2.gz KMZUZGHPTAIDFJ-BRWVUGGUSA-N 0 1 390.491 3.380 20 0 GGADMN FC(F)COc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1 ZINC000822732621 1428157503 /nfs/dbraw/zinc/15/75/03/1428157503.db2.gz MPJOGPOIPUAWEX-UHFFFAOYSA-N 0 1 382.374 3.093 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2[nH]c1=S ZINC000176203441 1428164540 /nfs/dbraw/zinc/16/45/40/1428164540.db2.gz HKWKKPMNBAXDAV-UHFFFAOYSA-N 0 1 385.411 3.027 20 0 GGADMN C[C@H](NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1nnc[nH]1 ZINC000176204341 1428165375 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Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180288302 1429825746 /nfs/dbraw/zinc/82/57/46/1429825746.db2.gz AUSNMWFTROUXMC-MRXNPFEDSA-N 0 1 377.529 3.136 20 0 GGADMN O=C(c1coc(-c2ccccc2)n1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180289113 1429825944 /nfs/dbraw/zinc/82/59/44/1429825944.db2.gz NDDKFAJVFVIHHP-UHFFFAOYSA-N 0 1 383.492 3.306 20 0 GGADMN O=C([C@H]1SCCc2sccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180289308 1429826052 /nfs/dbraw/zinc/82/60/52/1429826052.db2.gz RGJXKBQZJBESBY-IBGZPJMESA-N 0 1 394.606 3.430 20 0 GGADMN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000180289510 1429826092 /nfs/dbraw/zinc/82/60/92/1429826092.db2.gz FGIDYCUFJKRNMJ-FCHUYYIVSA-N 0 1 386.536 3.150 20 0 GGADMN CCN(CC)[C@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000180290110 1429826340 /nfs/dbraw/zinc/82/63/40/1429826340.db2.gz FPKMMVBAAUYCKZ-REWPJTCUSA-N 0 1 393.531 3.234 20 0 GGADMN O=C(c1cc(F)cc2cccnc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180292110 1429826912 /nfs/dbraw/zinc/82/69/12/1429826912.db2.gz PRBMFHMSFFUAEQ-UHFFFAOYSA-N 0 1 385.483 3.339 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)N3CCC(CCCN4CCOCC4)CC3)c21 ZINC000180292330 1429827128 /nfs/dbraw/zinc/82/71/28/1429827128.db2.gz FEYQMYDFMOIQNQ-UHFFFAOYSA-N 0 1 399.535 3.070 20 0 GGADMN Cc1ccccc1-n1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cn1 ZINC000180293736 1429827453 /nfs/dbraw/zinc/82/74/53/1429827453.db2.gz ZKUIVTMVUHBLPC-UHFFFAOYSA-N 0 1 396.535 3.145 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000180296108 1429828026 /nfs/dbraw/zinc/82/80/26/1429828026.db2.gz WRHJPMWFNCGWNR-UHFFFAOYSA-N 0 1 392.565 3.370 20 0 GGADMN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180295495 1429828104 /nfs/dbraw/zinc/82/81/04/1429828104.db2.gz WMDPFOPRCOYYFA-UHFFFAOYSA-N 0 1 392.515 3.334 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180297125 1429828396 /nfs/dbraw/zinc/82/83/96/1429828396.db2.gz NWICMXKMYLZPMF-UHFFFAOYSA-N 0 1 383.536 3.452 20 0 GGADMN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000180297819 1429828900 /nfs/dbraw/zinc/82/89/00/1429828900.db2.gz ZRNXABXXENFPDA-UPVQGACJSA-N 0 1 382.548 3.242 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1 ZINC000180300766 1429829531 /nfs/dbraw/zinc/82/95/31/1429829531.db2.gz CVOVQIIFIDCNRZ-YADHBBJMSA-N 0 1 397.494 3.250 20 0 GGADMN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180306031 1429831427 /nfs/dbraw/zinc/83/14/27/1429831427.db2.gz XSRBRSXZFDAGQD-MRXNPFEDSA-N 0 1 396.478 3.083 20 0 GGADMN O=c1cc(CN[C@@H](COc2ccccc2F)c2ccccc2)[nH]c2ccnn21 ZINC000180307566 1429831681 /nfs/dbraw/zinc/83/16/81/1429831681.db2.gz VVNMBJYBMLKTPX-SFHVURJKSA-N 0 1 378.407 3.072 20 0 GGADMN COC(=O)c1cccc2nc(NS(=O)(=O)C3=Cc4ccccc4CC3)[nH]c21 ZINC000180306777 1429831843 /nfs/dbraw/zinc/83/18/43/1429831843.db2.gz ZSOQKHIZEJUHBO-UHFFFAOYSA-N 0 1 383.429 3.079 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180306968 1429831937 /nfs/dbraw/zinc/83/19/37/1429831937.db2.gz LAMVDLAGTFCXOG-UHFFFAOYSA-N 0 1 386.536 3.309 20 0 GGADMN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180310570 1429832927 /nfs/dbraw/zinc/83/29/27/1429832927.db2.gz BYUNDEXTVFYMBY-UHFFFAOYSA-N 0 1 382.508 3.041 20 0 GGADMN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312022 1429833074 /nfs/dbraw/zinc/83/30/74/1429833074.db2.gz SBYUNZDLRDCJBP-QZTJIDSGSA-N 0 1 392.490 3.419 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736797040 1429833362 /nfs/dbraw/zinc/83/33/62/1429833362.db2.gz FJPWPOFVXSSXJM-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736797040 1429833369 /nfs/dbraw/zinc/83/33/69/1429833369.db2.gz FJPWPOFVXSSXJM-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736797040 1429833379 /nfs/dbraw/zinc/83/33/79/1429833379.db2.gz FJPWPOFVXSSXJM-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN O=C([C@H]1C[C@H]1c1ccc(F)cc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312515 1429833494 /nfs/dbraw/zinc/83/34/94/1429833494.db2.gz ULSGPRSCXHNIBV-PMACEKPBSA-N 0 1 392.490 3.419 20 0 GGADMN COc1ccccc1/C(C)=C/C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312859 1429833510 /nfs/dbraw/zinc/83/35/10/1429833510.db2.gz RMHPLKRYDRULNY-VHEBQXMUSA-N 0 1 386.536 3.450 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312215 1429833558 /nfs/dbraw/zinc/83/35/58/1429833558.db2.gz ILCOQRWGIIYSHZ-RTBURBONSA-N 0 1 392.490 3.419 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000180313314 1429833984 /nfs/dbraw/zinc/83/39/84/1429833984.db2.gz FSQXIQMRPVUNNY-AEFFLSMTSA-N 0 1 386.492 3.429 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2CCO)N2CCCCC2)cc1 ZINC000180317438 1429834870 /nfs/dbraw/zinc/83/48/70/1429834870.db2.gz LMFLVRCSQXSKPW-CTNGQTDRSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCCC[C@H]2CCO)N2CCCCC2)cc1 ZINC000180317475 1429834901 /nfs/dbraw/zinc/83/49/01/1429834901.db2.gz LMFLVRCSQXSKPW-FPOVZHCZSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2CCO)N2CCCCC2)cc1 ZINC000180317457 1429834962 /nfs/dbraw/zinc/83/49/62/1429834962.db2.gz LMFLVRCSQXSKPW-PZJWPPBQSA-N 0 1 389.540 3.169 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@H]1COC2(CCCCC2)O1 ZINC000180316155 1429835006 /nfs/dbraw/zinc/83/50/06/1429835006.db2.gz FXIMVOCYFSPWNU-ZWKOTPCHSA-N 0 1 391.512 3.182 20 0 GGADMN CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)CCO1 ZINC000180323923 1429836387 /nfs/dbraw/zinc/83/63/87/1429836387.db2.gz UKEMEGBMLVAQDZ-PKOBYXMFSA-N 0 1 389.540 3.371 20 0 GGADMN Cc1cc(NC(=O)CN[C@H](COc2ccccc2F)c2ccccc2)n(C)n1 ZINC000180327254 1429836967 /nfs/dbraw/zinc/83/69/67/1429836967.db2.gz LYFSALPTBPEOJZ-GOSISDBHSA-N 0 1 382.439 3.216 20 0 GGADMN COc1ccc(COc2cccc(F)c2)cc1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000180332579 1429837936 /nfs/dbraw/zinc/83/79/36/1429837936.db2.gz MXVFNAWFNHYYLZ-GFCCVEGCSA-N 0 1 385.399 3.414 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)c21 ZINC000180335882 1429838829 /nfs/dbraw/zinc/83/88/29/1429838829.db2.gz PCCHEMQRHOUUSF-UHFFFAOYSA-N 0 1 377.488 3.284 20 0 GGADMN Cc1[nH]nc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)ccc12 ZINC000180343222 1429840744 /nfs/dbraw/zinc/84/07/44/1429840744.db2.gz MUWXCZKQCFRHRZ-IBGZPJMESA-N 0 1 388.427 3.444 20 0 GGADMN COc1ccc(OCCS(=O)(=O)Nc2cn(-c3ccccc3)nc2C)cc1 ZINC000180352953 1429843702 /nfs/dbraw/zinc/84/37/02/1429843702.db2.gz KXHYTIMXJXXNEF-UHFFFAOYSA-N 0 1 387.461 3.010 20 0 GGADMN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCN(C2CCOCC2)CC1 ZINC000180353646 1429843962 /nfs/dbraw/zinc/84/39/62/1429843962.db2.gz JKBHCRZPMSEUPU-UHFFFAOYSA-N 0 1 393.459 3.025 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)nn1-c1ccccc1Cl ZINC000180356691 1429844924 /nfs/dbraw/zinc/84/49/24/1429844924.db2.gz ORHXBBVWRBPHMP-HOTGVXAUSA-N 0 1 390.915 3.063 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N2CCO[C@H](C)C2)ccc1OCCC(C)C ZINC000180358896 1429845676 /nfs/dbraw/zinc/84/56/76/1429845676.db2.gz QIHBKKFBBFFGQV-SJORKVTESA-N 0 1 378.513 3.018 20 0 GGADMN COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2c[n-]c3nccc(Cl)c23)c1C ZINC000180361524 1429846432 /nfs/dbraw/zinc/84/64/32/1429846432.db2.gz WWIPQSGWTLJFMT-UHFFFAOYSA-N 0 1 394.884 3.057 20 0 GGADMN CCc1ccccc1NC(=O)CN[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000180377768 1429850736 /nfs/dbraw/zinc/85/07/36/1429850736.db2.gz JWJUPRFVVDCNJI-IBGZPJMESA-N 0 1 397.519 3.395 20 0 GGADMN CCc1ccccc1NC(=O)CN[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000180377790 1429850801 /nfs/dbraw/zinc/85/08/01/1429850801.db2.gz JWJUPRFVVDCNJI-LJQANCHMSA-N 0 1 397.519 3.395 20 0 GGADMN O=C(CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)NCC1CC1 ZINC000180389488 1429853877 /nfs/dbraw/zinc/85/38/77/1429853877.db2.gz YVTWRHWMTKABKH-CQSZACIVSA-N 0 1 384.320 3.174 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@@H](C)c2cnn(C)c2C)CCN1Cc1ccccc1 ZINC000180390849 1429854221 /nfs/dbraw/zinc/85/42/21/1429854221.db2.gz LEPFHOPTHLEDEG-PXNSSMCTSA-N 0 1 383.540 3.486 20 0 GGADMN COC[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000180399630 1429857046 /nfs/dbraw/zinc/85/70/46/1429857046.db2.gz LMUAWRUQEDUDFL-FQEVSTJZSA-N 0 1 389.446 3.010 20 0 GGADMN Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)nn1-c1ccccc1Cl ZINC000180404887 1429859008 /nfs/dbraw/zinc/85/90/08/1429859008.db2.gz UFQJNHOHLNMLHS-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1F)c1ccsc1 ZINC000180406162 1429859827 /nfs/dbraw/zinc/85/98/27/1429859827.db2.gz LOWSTKZJBLCTMW-MRXNPFEDSA-N 0 1 377.485 3.333 20 0 GGADMN CCC[N@@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825322630 1429862195 /nfs/dbraw/zinc/86/21/95/1429862195.db2.gz GTKROEUIMAKCCY-OAHLLOKOSA-N 0 1 394.479 3.115 20 0 GGADMN COc1cc([C@@H](C)NCc2cn(C)nc2-c2ccccc2)ccc1S(C)(=O)=O ZINC000180414929 1429862746 /nfs/dbraw/zinc/86/27/46/1429862746.db2.gz PZBXHNJPLOUJIR-OAHLLOKOSA-N 0 1 399.516 3.350 20 0 GGADMN O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[O-] ZINC000180422896 1429865079 /nfs/dbraw/zinc/86/50/79/1429865079.db2.gz KSGLSQQRXCEVOD-LYUVJKPTSA-N 0 1 389.839 3.140 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1)CC(C)(C)O)c1ccc(F)cc1 ZINC000180427769 1429867163 /nfs/dbraw/zinc/86/71/63/1429867163.db2.gz QSNMKQGCYZKDSF-FQEVSTJZSA-N 0 1 387.499 3.411 20 0 GGADMN CC[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2C1 ZINC000825120827 1429871235 /nfs/dbraw/zinc/87/12/35/1429871235.db2.gz NYTDFSVWXJWFRN-IERDGZPVSA-N 0 1 376.508 3.354 20 0 GGADMN O=C1NCCCN1C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000180466057 1429875637 /nfs/dbraw/zinc/87/56/37/1429875637.db2.gz SHUJEGGEZXYXEB-UHFFFAOYSA-N 0 1 376.932 3.320 20 0 GGADMN CCN(CC)[C@@H](C(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000180466846 1429875900 /nfs/dbraw/zinc/87/59/00/1429875900.db2.gz NSMOMAISDAQIDG-HXUWFJFHSA-N 0 1 381.476 3.343 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NC[C@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471539 1429876985 /nfs/dbraw/zinc/87/69/85/1429876985.db2.gz ZIHJQMCQCXVHNS-GGAORHGYSA-N 0 1 395.524 3.373 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NCCS(=O)(=O)NC(C)C)s2)cc1 ZINC000180476962 1429878712 /nfs/dbraw/zinc/87/87/12/1429878712.db2.gz CBIBYOBWLFIHLS-ZDUSSCGKSA-N 0 1 397.566 3.106 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@H]1COC2(CCCCC2)O1)c1ccco1 ZINC000180486489 1429881095 /nfs/dbraw/zinc/88/10/95/1429881095.db2.gz GSLHFSYBINVYBA-DLBZAZTESA-N 0 1 379.501 3.038 20 0 GGADMN Cc1nc(COc2ccc(NS(=O)(=O)c3cccc(C)c3F)cc2)no1 ZINC000180509876 1429885728 /nfs/dbraw/zinc/88/57/28/1429885728.db2.gz VKHPPSVIHIIHOG-UHFFFAOYSA-N 0 1 377.397 3.205 20 0 GGADMN Fc1cccc(CC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C2CC2)c1 ZINC000737665552 1429888012 /nfs/dbraw/zinc/88/80/12/1429888012.db2.gz HLHFVPQDGYEFAM-UHFFFAOYSA-N 0 1 376.439 3.466 20 0 GGADMN Fc1cccc(CC[N@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C2CC2)c1 ZINC000737665552 1429888019 /nfs/dbraw/zinc/88/80/19/1429888019.db2.gz HLHFVPQDGYEFAM-UHFFFAOYSA-N 0 1 376.439 3.466 20 0 GGADMN Fc1cccc(CC[N@@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C2CC2)c1 ZINC000737665552 1429888029 /nfs/dbraw/zinc/88/80/29/1429888029.db2.gz HLHFVPQDGYEFAM-UHFFFAOYSA-N 0 1 376.439 3.466 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N1CCc2ccccc2C1 ZINC000180525260 1429889650 /nfs/dbraw/zinc/88/96/50/1429889650.db2.gz GIGNHRRWFRVJLY-ROUUACIJSA-N 0 1 391.515 3.437 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cccc(OCC(F)F)c2)c1 ZINC000180527544 1429890356 /nfs/dbraw/zinc/89/03/56/1429890356.db2.gz XFKMEORVQVNTCB-ZDUSSCGKSA-N 0 1 384.448 3.089 20 0 GGADMN O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180530668 1429891510 /nfs/dbraw/zinc/89/15/10/1429891510.db2.gz DFNOKQSJDULTJY-UHFFFAOYSA-N 0 1 386.414 3.176 20 0 GGADMN COC[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC000180536301 1429892871 /nfs/dbraw/zinc/89/28/71/1429892871.db2.gz HBHDQUXLXYDFJS-MOPGFXCFSA-N 0 1 395.425 3.394 20 0 GGADMN Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1N1CCOCC1 ZINC000180541044 1429893435 /nfs/dbraw/zinc/89/34/35/1429893435.db2.gz YUAWQBBMEWLKSJ-QFIPXVFZSA-N 0 1 379.504 3.435 20 0 GGADMN Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)ccc1N1CCOCC1 ZINC000180541062 1429893468 /nfs/dbraw/zinc/89/34/68/1429893468.db2.gz YUAWQBBMEWLKSJ-JOCHJYFZSA-N 0 1 379.504 3.435 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000180540723 1429893635 /nfs/dbraw/zinc/89/36/35/1429893635.db2.gz TWMAACUYVQGXBZ-UHFFFAOYSA-N 0 1 398.898 3.016 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccn2Cc2cccs2)c1 ZINC000180544256 1429894213 /nfs/dbraw/zinc/89/42/13/1429894213.db2.gz CHAKUFJSAGZBQT-UHFFFAOYSA-N 0 1 390.486 3.349 20 0 GGADMN CC[N@H+](Cc1ccc(-c2nnn[n-]2)s1)CC1CCN(c2ccccn2)CC1 ZINC000825434852 1429895995 /nfs/dbraw/zinc/89/59/95/1429895995.db2.gz HLDUEBFKQOAFHM-UHFFFAOYSA-N 0 1 383.525 3.062 20 0 GGADMN CC[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)CC1CCN(c2ccccn2)CC1 ZINC000825434852 1429896006 /nfs/dbraw/zinc/89/60/06/1429896006.db2.gz HLDUEBFKQOAFHM-UHFFFAOYSA-N 0 1 383.525 3.062 20 0 GGADMN CC[N@H+](Cc1ccc(-c2nn[n-]n2)s1)CC1CCN(c2ccccn2)CC1 ZINC000825434852 1429896017 /nfs/dbraw/zinc/89/60/17/1429896017.db2.gz HLDUEBFKQOAFHM-UHFFFAOYSA-N 0 1 383.525 3.062 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCCc2nc(C(C)C)no2)CCN1Cc1ccccc1 ZINC000180560626 1429897807 /nfs/dbraw/zinc/89/78/07/1429897807.db2.gz WEIFDVBJQUSXOG-LJQANCHMSA-N 0 1 399.539 3.432 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC[N-]C(=O)C(F)(F)F ZINC000180576164 1429905799 /nfs/dbraw/zinc/90/57/99/1429905799.db2.gz ITBDNRAOHRJNPW-UHFFFAOYSA-N 0 1 382.430 3.298 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC[N-]C(=O)C(F)(F)F ZINC000180576164 1429905805 /nfs/dbraw/zinc/90/58/05/1429905805.db2.gz ITBDNRAOHRJNPW-UHFFFAOYSA-N 0 1 382.430 3.298 20 0 GGADMN COC(=O)c1oc([C@@H](C)N2CCN(CCCOCC(F)(F)F)CC2)cc1C ZINC000180576935 1429906765 /nfs/dbraw/zinc/90/67/65/1429906765.db2.gz YFKQLZSIMBLMRR-CQSZACIVSA-N 0 1 392.418 3.022 20 0 GGADMN COC(=O)c1oc([C@H](C)N2CCN(CCCOCC(F)(F)F)CC2)cc1C ZINC000180576953 1429907287 /nfs/dbraw/zinc/90/72/87/1429907287.db2.gz YFKQLZSIMBLMRR-AWEZNQCLSA-N 0 1 392.418 3.022 20 0 GGADMN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826330879 1429909561 /nfs/dbraw/zinc/90/95/61/1429909561.db2.gz LWNBBNKEGFIWFW-GFCCVEGCSA-N 0 1 395.417 3.490 20 0 GGADMN Cc1ccnc(N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312623 1429912604 /nfs/dbraw/zinc/91/26/04/1429912604.db2.gz KFJLDUWEHFPIAC-GOEBONIOSA-N 0 1 387.850 3.220 20 0 GGADMN Cc1ccnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312623 1429912608 /nfs/dbraw/zinc/91/26/08/1429912608.db2.gz KFJLDUWEHFPIAC-GOEBONIOSA-N 0 1 387.850 3.220 20 0 GGADMN Cc1ccnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312623 1429912611 /nfs/dbraw/zinc/91/26/11/1429912611.db2.gz KFJLDUWEHFPIAC-GOEBONIOSA-N 0 1 387.850 3.220 20 0 GGADMN CS[C@H](CO)[C@@H](C)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180591977 1429917957 /nfs/dbraw/zinc/91/79/57/1429917957.db2.gz YNAICNHLTVAADW-CDHQVMDDSA-N 0 1 393.574 3.190 20 0 GGADMN CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)CCO1 ZINC000180592682 1429919287 /nfs/dbraw/zinc/91/92/87/1429919287.db2.gz FSVMSSYTEYGXMB-PZJWPPBQSA-N 0 1 388.556 3.329 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180604423 1429928400 /nfs/dbraw/zinc/92/84/00/1429928400.db2.gz AFMQJAHCOYLFFG-HIFRSBDPSA-N 0 1 387.402 3.351 20 0 GGADMN C[C@@H](NCC(=O)NC1CCOCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180606982 1429929567 /nfs/dbraw/zinc/92/95/67/1429929567.db2.gz CEDJAXSJHGDHIN-OAHLLOKOSA-N 0 1 399.466 3.024 20 0 GGADMN CSC[C@@H](CCO)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180611141 1429932476 /nfs/dbraw/zinc/93/24/76/1429932476.db2.gz ZIOAHFKQPNACGK-QUCCMNQESA-N 0 1 393.574 3.192 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000180614493 1429933708 /nfs/dbraw/zinc/93/37/08/1429933708.db2.gz GJXUDCVOAGXBHL-FDOKIQAASA-N 0 1 380.851 3.271 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000180624153 1429938454 /nfs/dbraw/zinc/93/84/54/1429938454.db2.gz JYSVMQOCHHTLPD-LNLFQRSKSA-N 0 1 381.524 3.405 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000180623955 1429938690 /nfs/dbraw/zinc/93/86/90/1429938690.db2.gz JYSVMQOCHHTLPD-LMMKCTJWSA-N 0 1 381.524 3.405 20 0 GGADMN CC[C@H](NCC(=O)N[C@@H](C)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000180641693 1429948896 /nfs/dbraw/zinc/94/88/96/1429948896.db2.gz YIOKCLGRNOUFIZ-YJBOKZPZSA-N 0 1 384.476 3.385 20 0 GGADMN CCc1nc(NC(=O)CN[C@@H](CC)c2ccc3c(c2)OCCO3)sc1C ZINC000180640938 1429949374 /nfs/dbraw/zinc/94/93/74/1429949374.db2.gz IRQCGCLXDFHIGE-HNNXBMFYSA-N 0 1 375.494 3.465 20 0 GGADMN CCOc1cccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)c1OC(F)F ZINC000180648467 1429953498 /nfs/dbraw/zinc/95/34/98/1429953498.db2.gz QALICTDACIKKST-YOEHRIQHSA-N 0 1 395.450 3.366 20 0 GGADMN CCOc1c(Cl)cc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180648376 1429953544 /nfs/dbraw/zinc/95/35/44/1429953544.db2.gz ILQUUDIKTKPIGW-YJBOKZPZSA-N 0 1 393.915 3.426 20 0 GGADMN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000180649248 1429954388 /nfs/dbraw/zinc/95/43/88/1429954388.db2.gz QCDGVKFLWCGNPM-ORAYPTAESA-N 0 1 387.434 3.034 20 0 GGADMN Cc1ccc(-c2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)s2)o1 ZINC000180648758 1429954665 /nfs/dbraw/zinc/95/46/65/1429954665.db2.gz HNRGUPONVMUYKU-UHFFFAOYSA-N 0 1 396.516 3.393 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000826181693 1429954621 /nfs/dbraw/zinc/95/46/21/1429954621.db2.gz KKAAJSUPQARJRL-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN Cc1ccc(-c2ccc(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)s2)o1 ZINC000180652029 1429956373 /nfs/dbraw/zinc/95/63/73/1429956373.db2.gz GNXOIWULTCEHGK-INIZCTEOSA-N 0 1 375.538 3.318 20 0 GGADMN Cc1cc(Br)ccc1CN1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000180655554 1429959366 /nfs/dbraw/zinc/95/93/66/1429959366.db2.gz URQQQZYUPKVEDJ-RDJZCZTQSA-N 0 1 378.314 3.437 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1F ZINC000180657777 1429960210 /nfs/dbraw/zinc/96/02/10/1429960210.db2.gz BXABXJMKRKNNBB-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000180658978 1429960914 /nfs/dbraw/zinc/96/09/14/1429960914.db2.gz SOXBWWIKRMBVQC-PKOBYXMFSA-N 0 1 375.513 3.438 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000822214924 1429961218 /nfs/dbraw/zinc/96/12/18/1429961218.db2.gz DBMUCAXERIDSIK-UHFFFAOYSA-N 0 1 377.496 3.414 20 0 GGADMN COc1ccc(COCc2cccc(NC(=O)N[C@H](C)c3nnc[nH]3)c2)cc1 ZINC000180662126 1429962903 /nfs/dbraw/zinc/96/29/03/1429962903.db2.gz RUIBOZSEHASFPJ-CQSZACIVSA-N 0 1 381.436 3.413 20 0 GGADMN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000180665388 1429963546 /nfs/dbraw/zinc/96/35/46/1429963546.db2.gz CHGOEVPAWZFXLZ-QZTJIDSGSA-N 0 1 397.519 3.496 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824619359 1429963833 /nfs/dbraw/zinc/96/38/33/1429963833.db2.gz WZBBAMBOQFKREG-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820711267 1429965855 /nfs/dbraw/zinc/96/58/55/1429965855.db2.gz VRTBDSPUSDUASC-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820711267 1429965858 /nfs/dbraw/zinc/96/58/58/1429965858.db2.gz VRTBDSPUSDUASC-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820711267 1429965862 /nfs/dbraw/zinc/96/58/62/1429965862.db2.gz VRTBDSPUSDUASC-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN COC(=O)[C@@H](O)C1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000180669639 1429966218 /nfs/dbraw/zinc/96/62/18/1429966218.db2.gz RHNSENJCFXDPHN-SFHVURJKSA-N 0 1 386.473 3.302 20 0 GGADMN CC[C@@H](CSC)N(C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000180671982 1429966938 /nfs/dbraw/zinc/96/69/38/1429966938.db2.gz FXSYACGHQIHXMX-AWEZNQCLSA-N 0 1 398.598 3.167 20 0 GGADMN COC(=O)[C@H](O)C1CCN(Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000180672610 1429968332 /nfs/dbraw/zinc/96/83/32/1429968332.db2.gz BNCJPXTVIOGRTB-HXUWFJFHSA-N 0 1 399.535 3.224 20 0 GGADMN C[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccc(F)cc1Cl ZINC000736792826 1429973554 /nfs/dbraw/zinc/97/35/54/1429973554.db2.gz QMZFWOCXCOHYLO-UHFFFAOYSA-N 0 1 394.863 3.181 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccc(F)cc1Cl ZINC000736792826 1429973557 /nfs/dbraw/zinc/97/35/57/1429973557.db2.gz QMZFWOCXCOHYLO-UHFFFAOYSA-N 0 1 394.863 3.181 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCCCC1 ZINC000180684125 1429974831 /nfs/dbraw/zinc/97/48/31/1429974831.db2.gz KTWDHXISMSSECU-ZIFCJYIRSA-N 0 1 375.513 3.041 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)c3cnn(C)c3C)CCN2C2CC2)c1 ZINC000180685001 1429976083 /nfs/dbraw/zinc/97/60/83/1429976083.db2.gz RQPRBGFBPDLAKA-XMDBHEJHSA-N 0 1 397.523 3.075 20 0 GGADMN Brc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823826332 1429978788 /nfs/dbraw/zinc/97/87/88/1429978788.db2.gz HTVCOHDMTUJINQ-CQSZACIVSA-N 0 1 391.317 3.084 20 0 GGADMN Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)C2(C(N)=O)CCCC2)c2ccccc2)cc1 ZINC000180694254 1429981048 /nfs/dbraw/zinc/98/10/48/1429981048.db2.gz GGDRUWFLPBZTPF-FCHUYYIVSA-N 0 1 396.531 3.192 20 0 GGADMN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547531 1429982888 /nfs/dbraw/zinc/98/28/88/1429982888.db2.gz PIYXUYCKVSSGPL-HOTGVXAUSA-N 0 1 377.496 3.138 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NCCc2cnn(-c3ccccc3)c2)c1 ZINC000180697370 1429983453 /nfs/dbraw/zinc/98/34/53/1429983453.db2.gz LSGVGWAQFUIPQR-SFHVURJKSA-N 0 1 392.503 3.281 20 0 GGADMN CCCc1csc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000180698188 1429984436 /nfs/dbraw/zinc/98/44/36/1429984436.db2.gz UHDQAAMXGMSRLZ-SJLPKXTDSA-N 0 1 388.537 3.100 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000180708898 1429990963 /nfs/dbraw/zinc/99/09/63/1429990963.db2.gz FZZIGSFBZRDSDO-KRWDZBQOSA-N 0 1 383.492 3.211 20 0 GGADMN COc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1-c1nn[n-]n1 ZINC000826194666 1429992863 /nfs/dbraw/zinc/99/28/63/1429992863.db2.gz SBLBCOKVQHJRKM-UHFFFAOYSA-N 0 1 389.463 3.131 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000180716691 1429997181 /nfs/dbraw/zinc/99/71/81/1429997181.db2.gz MOSRJISTESZTBF-IERDGZPVSA-N 0 1 386.467 3.475 20 0 GGADMN CC(C)(C)c1ccc([C@@H](O)CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000819958849 1429997906 /nfs/dbraw/zinc/99/79/06/1429997906.db2.gz RNCZOVUPXLIVDT-IBGZPJMESA-N 0 1 388.475 3.280 20 0 GGADMN COc1cc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000826179674 1429999561 /nfs/dbraw/zinc/99/95/61/1429999561.db2.gz YSWHENBGLKTOQW-JTQLQIEISA-N 0 1 393.369 3.467 20 0 GGADMN COc1ccc2cc(C[N@@H+](C)C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000821854698 1430004810 /nfs/dbraw/zinc/00/48/10/1430004810.db2.gz RWKBLZSJYQAOEL-OAQYLSRUSA-N 0 1 389.459 3.194 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2cncc(F)c2)CC1 ZINC000180735989 1430008467 /nfs/dbraw/zinc/00/84/67/1430008467.db2.gz OGSVBUHGEVLHPM-UHFFFAOYSA-N 0 1 376.863 3.197 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc(=O)[nH]c(C(C)C)c3)CC2)cc1 ZINC000180735744 1430008506 /nfs/dbraw/zinc/00/85/06/1430008506.db2.gz STRBNKMCXUDOFX-UHFFFAOYSA-N 0 1 383.492 3.267 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(OCc2ccccn2)c1 ZINC000824624650 1430008976 /nfs/dbraw/zinc/00/89/76/1430008976.db2.gz AYMYKOLHSKREDB-HNNXBMFYSA-N 0 1 387.447 3.087 20 0 GGADMN COC(=O)c1oc([C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1C ZINC000180739675 1430010352 /nfs/dbraw/zinc/01/03/52/1430010352.db2.gz OHXRDJPPQKEOCR-CQSZACIVSA-N 0 1 386.448 3.492 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2ccccc2)o1 ZINC000180742547 1430011694 /nfs/dbraw/zinc/01/16/94/1430011694.db2.gz BXIBJILNFZJHQG-AEFFLSMTSA-N 0 1 392.521 3.086 20 0 GGADMN Cc1c(C(=O)N2CCC(CCCN3CCOCC3)CC2)oc2c1C(=O)CCC2 ZINC000180745195 1430013752 /nfs/dbraw/zinc/01/37/52/1430013752.db2.gz OZOXOYCNXPFSHP-UHFFFAOYSA-N 0 1 388.508 3.072 20 0 GGADMN O=C(c1nc(Cl)ccc1Cl)N1CCC(CCCN2CCOCC2)CC1 ZINC000180746047 1430014299 /nfs/dbraw/zinc/01/42/99/1430014299.db2.gz PDICBGUSBBZYNZ-UHFFFAOYSA-N 0 1 386.323 3.353 20 0 GGADMN Cn1cc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c(-c2ccccc2)n1 ZINC000180746744 1430015031 /nfs/dbraw/zinc/01/50/31/1430015031.db2.gz DIKBXLFBWMIYPI-UHFFFAOYSA-N 0 1 389.503 3.087 20 0 GGADMN Cc1[nH]c2ccccc2c1CC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180747685 1430015496 /nfs/dbraw/zinc/01/54/96/1430015496.db2.gz OXHCLGPBLPGKIM-UHFFFAOYSA-N 0 1 383.536 3.370 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000180754191 1430020084 /nfs/dbraw/zinc/02/00/84/1430020084.db2.gz PXDDTZNJEGJBFS-MGPUTAFESA-N 0 1 381.524 3.320 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000180754173 1430020464 /nfs/dbraw/zinc/02/04/64/1430020464.db2.gz PXDDTZNJEGJBFS-YWZLYKJASA-N 0 1 381.524 3.320 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1)c1ccccc1OCC(=O)N(C)C ZINC000180761894 1430024329 /nfs/dbraw/zinc/02/43/29/1430024329.db2.gz BMANKERETJWKJD-APWZRJJASA-N 0 1 383.492 3.222 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1)c1ccccc1OCC(=O)N(C)C ZINC000180761915 1430024655 /nfs/dbraw/zinc/02/46/55/1430024655.db2.gz BMANKERETJWKJD-VQIMIIECSA-N 0 1 383.492 3.222 20 0 GGADMN Cc1cc[nH+]c(N(Cc2ccccc2)C[C@@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826309267 1430024756 /nfs/dbraw/zinc/02/47/56/1430024756.db2.gz JPADDFKMNQASGW-MRXNPFEDSA-N 0 1 392.488 3.372 20 0 GGADMN O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(F)cc1OCC(F)F ZINC000180764604 1430026626 /nfs/dbraw/zinc/02/66/26/1430026626.db2.gz JUXREOPDCYFBPE-UHFFFAOYSA-N 0 1 386.414 3.443 20 0 GGADMN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(Br)c1 ZINC000180766691 1430027750 /nfs/dbraw/zinc/02/77/50/1430027750.db2.gz GWLXCFFDRADANV-PRHODGIISA-N 0 1 383.183 3.402 20 0 GGADMN CC(=O)Nc1nc(C(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cs1 ZINC000180772502 1430031131 /nfs/dbraw/zinc/03/11/31/1430031131.db2.gz ZGASKKKQARELAD-KRWDZBQOSA-N 0 1 385.489 3.022 20 0 GGADMN CN1CC[C@@H](CNC(=O)N2CCCC[C@@H]2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180788047 1430040462 /nfs/dbraw/zinc/04/04/62/1430040462.db2.gz REPVUVCLTSYEPO-FCEWJHQRSA-N 0 1 397.922 3.418 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1cccs1 ZINC000180791137 1430042074 /nfs/dbraw/zinc/04/20/74/1430042074.db2.gz NYZWJJLACKOBGB-QGZVFWFLSA-N 0 1 383.521 3.251 20 0 GGADMN Cn1cc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c(-c2ccccc2)n1 ZINC000180791642 1430042216 /nfs/dbraw/zinc/04/22/16/1430042216.db2.gz UWVKPVMEHXDJCJ-IBGZPJMESA-N 0 1 393.491 3.316 20 0 GGADMN COc1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc2c1OCO2 ZINC000180794746 1430044005 /nfs/dbraw/zinc/04/40/05/1430044005.db2.gz JDTDCUCGEPLKDG-CYBMUJFWSA-N 0 1 383.370 3.476 20 0 GGADMN CC1CC[NH+](Cc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000820722267 1430051730 /nfs/dbraw/zinc/05/17/30/1430051730.db2.gz GTAKDCHPKYKXGB-UHFFFAOYSA-N 0 1 390.491 3.280 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541269 1430054941 /nfs/dbraw/zinc/05/49/41/1430054941.db2.gz MPVWHYMFZFVTSI-SWLSCSKDSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541269 1430054945 /nfs/dbraw/zinc/05/49/45/1430054945.db2.gz MPVWHYMFZFVTSI-SWLSCSKDSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1cc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1F ZINC000180814076 1430055223 /nfs/dbraw/zinc/05/52/23/1430055223.db2.gz UTFOOXOEGKOZNE-UHFFFAOYSA-N 0 1 377.504 3.168 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CN2CCC(Cn3ccnn3)CC2)c1 ZINC000180819520 1430056579 /nfs/dbraw/zinc/05/65/79/1430056579.db2.gz QEVWWSJXDMFKEF-UHFFFAOYSA-N 0 1 393.491 3.173 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180819348 1430056652 /nfs/dbraw/zinc/05/66/52/1430056652.db2.gz XGYNKSAZGJBPSB-CQSZACIVSA-N 0 1 398.488 3.400 20 0 GGADMN O=C(NCCc1cccc(Cl)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180821278 1430057340 /nfs/dbraw/zinc/05/73/40/1430057340.db2.gz BZBZXBPMMLPCME-UHFFFAOYSA-N 0 1 393.959 3.417 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000180835133 1430063291 /nfs/dbraw/zinc/06/32/91/1430063291.db2.gz VSQWEQYDSGEIJQ-AWEZNQCLSA-N 0 1 384.509 3.212 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180836224 1430063846 /nfs/dbraw/zinc/06/38/46/1430063846.db2.gz PKSVBKVKVCEBEI-CYBMUJFWSA-N 0 1 384.461 3.010 20 0 GGADMN CC(C)C(=O)NCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000180838095 1430064242 /nfs/dbraw/zinc/06/42/42/1430064242.db2.gz WRGWAXNPQIMPML-UHFFFAOYSA-N 0 1 377.492 3.138 20 0 GGADMN CC(C)(NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000180857080 1430072157 /nfs/dbraw/zinc/07/21/57/1430072157.db2.gz GCGLJJSSZICJCQ-INIZCTEOSA-N 0 1 387.474 3.432 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000180863477 1430075397 /nfs/dbraw/zinc/07/53/97/1430075397.db2.gz JUTOSRVUSSOSNU-UHFFFAOYSA-N 0 1 376.403 3.239 20 0 GGADMN COc1cc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000180874560 1430081668 /nfs/dbraw/zinc/08/16/68/1430081668.db2.gz GSTCHPRXQCHQNU-UHFFFAOYSA-N 0 1 394.418 3.454 20 0 GGADMN Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000826332935 1430085260 /nfs/dbraw/zinc/08/52/60/1430085260.db2.gz NKQDCBQGHYOQAC-UHFFFAOYSA-N 0 1 399.568 3.458 20 0 GGADMN Cc1cc(NC(=O)CSc2n[nH]c(=S)s2)cnc1Br ZINC000180882303 1430086730 /nfs/dbraw/zinc/08/67/30/1430086730.db2.gz AHJFGUOJQAIKPD-UHFFFAOYSA-N 0 1 377.314 3.024 20 0 GGADMN CC(C)C[C@@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1cccs1 ZINC000180884851 1430088747 /nfs/dbraw/zinc/08/87/47/1430088747.db2.gz FMIOROYLPOBFGS-QGZVFWFLSA-N 0 1 396.578 3.238 20 0 GGADMN CC(C)C[C@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1cccs1 ZINC000180884836 1430088907 /nfs/dbraw/zinc/08/89/07/1430088907.db2.gz FMIOROYLPOBFGS-KRWDZBQOSA-N 0 1 396.578 3.238 20 0 GGADMN CCc1ccc([C@H](CC)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000180885387 1430089429 /nfs/dbraw/zinc/08/94/29/1430089429.db2.gz XYHNWVSUEYWHSM-FQEVSTJZSA-N 0 1 390.549 3.103 20 0 GGADMN CC(C)c1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000180886661 1430089903 /nfs/dbraw/zinc/08/99/03/1430089903.db2.gz UJJAUZXSUMUULO-KRWDZBQOSA-N 0 1 390.549 3.274 20 0 GGADMN C[C@H]1CC[C@@H](NCc2ccccc2S(=O)(=O)N(C)CCO)c2ccccc21 ZINC000180886382 1430090166 /nfs/dbraw/zinc/09/01/66/1430090166.db2.gz ONOHZUXXVBSJSC-OXJNMPFZSA-N 0 1 388.533 3.028 20 0 GGADMN CCc1cc(N2CCC[C@@H](N[C@H](c3cnn(C)c3)c3cccc(F)c3)C2)ncn1 ZINC000180887714 1430090727 /nfs/dbraw/zinc/09/07/27/1430090727.db2.gz UZUIOYNCRUPLKH-IRLDBZIGSA-N 0 1 394.498 3.260 20 0 GGADMN CCCn1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)cn1 ZINC000180893635 1430093729 /nfs/dbraw/zinc/09/37/29/1430093729.db2.gz KOJPIQVURLNKON-MRXNPFEDSA-N 0 1 387.503 3.065 20 0 GGADMN CCCn1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)cn1 ZINC000180893616 1430094063 /nfs/dbraw/zinc/09/40/63/1430094063.db2.gz KOJPIQVURLNKON-INIZCTEOSA-N 0 1 387.503 3.065 20 0 GGADMN Cc1sc2nc([C@@H](C)N(C)CC(C)(C)CN3CCOCC3)nc(N)c2c1C ZINC000180894246 1430094683 /nfs/dbraw/zinc/09/46/83/1430094683.db2.gz GDZWCLXSEIWRIQ-CQSZACIVSA-N 0 1 391.585 3.242 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000180897619 1430096030 /nfs/dbraw/zinc/09/60/30/1430096030.db2.gz MTNXSYLAUUERTK-QGZVFWFLSA-N 0 1 388.471 3.425 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000180897051 1430096439 /nfs/dbraw/zinc/09/64/39/1430096439.db2.gz IHKPQHZMAQOMSI-BZNIZROVSA-N 0 1 382.386 3.083 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)OC ZINC000180898950 1430096833 /nfs/dbraw/zinc/09/68/33/1430096833.db2.gz YCXNCAVJTROCPE-CKJXQJPGSA-N 0 1 383.492 3.103 20 0 GGADMN Cc1ccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000180899718 1430097862 /nfs/dbraw/zinc/09/78/62/1430097862.db2.gz UPQJKGGANFHTPP-JOCHJYFZSA-N 0 1 387.545 3.432 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(N(C)CCO)cc3)[nH]2)c1 ZINC000180904489 1430099667 /nfs/dbraw/zinc/09/96/67/1430099667.db2.gz DATLIKZJLSXTFT-UHFFFAOYSA-N 0 1 380.448 3.075 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(-c2ccncc2)cc1 ZINC000180904263 1430100235 /nfs/dbraw/zinc/10/02/35/1430100235.db2.gz GCAPLUCTTXYOIT-HNNXBMFYSA-N 0 1 378.432 3.018 20 0 GGADMN COC(=O)COc1cccc(CN[C@H](C)c2cnn(Cc3ccccc3)c2)c1 ZINC000180908336 1430103726 /nfs/dbraw/zinc/10/37/26/1430103726.db2.gz VDJPXCANMRTKCI-QGZVFWFLSA-N 0 1 379.460 3.334 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccc2ccccc2c1 ZINC000180911620 1430105935 /nfs/dbraw/zinc/10/59/35/1430105935.db2.gz KSBGWXPKOKVRSE-SFHVURJKSA-N 0 1 377.375 3.499 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197764 1430106206 /nfs/dbraw/zinc/10/62/06/1430106206.db2.gz OSVBYTAMKZLDJB-MRXNPFEDSA-N 0 1 382.512 3.042 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(OC)cc3OC)C2=O)cc1 ZINC000180915127 1430111159 /nfs/dbraw/zinc/11/11/59/1430111159.db2.gz KPMHFBDJMPJLKI-FOIQADDNSA-N 0 1 384.476 3.164 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(F)cc3N(C)C)C2=O)cc1 ZINC000180917606 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Cc1nn(C)cc1CN[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181059894 1430192205 /nfs/dbraw/zinc/19/22/05/1430192205.db2.gz USYVNQCRWHAETF-KRWDZBQOSA-N 0 1 380.414 3.028 20 0 GGADMN c1ccc(C[N@@H+](CCOc2cccc(-c3nn[n-]n3)c2)CC2CCOCC2)cc1 ZINC000738432268 1430194680 /nfs/dbraw/zinc/19/46/80/1430194680.db2.gz GGJKCPGEJJLKIM-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(C[N@H+](CCOc2cccc(-c3nnn[n-]3)c2)CC2CCOCC2)cc1 ZINC000738432268 1430194683 /nfs/dbraw/zinc/19/46/83/1430194683.db2.gz GGJKCPGEJJLKIM-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(C[N@@H+](CCOc2cccc(-c3nnn[n-]3)c2)CC2CCOCC2)cc1 ZINC000738432268 1430194686 /nfs/dbraw/zinc/19/46/86/1430194686.db2.gz GGJKCPGEJJLKIM-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN CCCC[C@H](NCc1ccc(N2CCOC2=O)cc1)C(=O)Nc1cc(C)on1 ZINC000181070817 1430196829 /nfs/dbraw/zinc/19/68/29/1430196829.db2.gz QMAKZKUYMNDSEI-KRWDZBQOSA-N 0 1 386.452 3.227 20 0 GGADMN O=C([N-][C@H]1C[N@H+](CC2=CCCOC2)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000181075588 1430200443 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GGADMN CCC[C@H]1CN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CCN1CCOC ZINC000181099306 1430209269 /nfs/dbraw/zinc/20/92/69/1430209269.db2.gz HXUHGQYNWDMTSG-AWEZNQCLSA-N 0 1 395.454 3.465 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CCN1CCOC ZINC000181099286 1430209454 /nfs/dbraw/zinc/20/94/54/1430209454.db2.gz HXUHGQYNWDMTSG-CQSZACIVSA-N 0 1 395.454 3.465 20 0 GGADMN O=C(NCCNC(=O)c1ccccc1F)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181098913 1430209605 /nfs/dbraw/zinc/20/96/05/1430209605.db2.gz RZJXACOBMCPAKZ-UHFFFAOYSA-N 0 1 391.353 3.191 20 0 GGADMN O=C(NCc1nnc2n1CCCCC2)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181101481 1430210291 /nfs/dbraw/zinc/21/02/91/1430210291.db2.gz GHTCKMUBHWXMDU-UHFFFAOYSA-N 0 1 375.383 3.140 20 0 GGADMN Cc1ccc(C(=O)NCCNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000181102042 1430210432 /nfs/dbraw/zinc/21/04/32/1430210432.db2.gz IOEZNZDGZKBCQU-UHFFFAOYSA-N 0 1 387.390 3.360 20 0 GGADMN CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000181105277 1430211616 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0 GGADMN Cc1c([C@H](C)NCCCOC2CCOCC2)nnn1-c1ccc(Cl)cc1 ZINC000181129814 1430219631 /nfs/dbraw/zinc/21/96/31/1430219631.db2.gz CEXMCCSFUOIINY-AWEZNQCLSA-N 0 1 378.904 3.465 20 0 GGADMN Cc1c([C@@H](C)NCCCOC2CCOCC2)nnn1-c1cccc(Cl)c1 ZINC000181131692 1430220754 /nfs/dbraw/zinc/22/07/54/1430220754.db2.gz ZQDNZTAZXQNGHG-CQSZACIVSA-N 0 1 378.904 3.465 20 0 GGADMN Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(N4CCOC4=O)cc3)C2=O)cc1 ZINC000181143781 1430225391 /nfs/dbraw/zinc/22/53/91/1430225391.db2.gz GFCQHXUQGIXAPE-OXQOHEQNSA-N 0 1 379.460 3.408 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccnn1Cc1ccccn1)c1ccco1 ZINC000181149454 1430227320 /nfs/dbraw/zinc/22/73/20/1430227320.db2.gz MKCBHXJAFUQUPS-KRWDZBQOSA-N 0 1 382.468 3.124 20 0 GGADMN Cn1cnc(-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)n1 ZINC000181158196 1430231021 /nfs/dbraw/zinc/23/10/21/1430231021.db2.gz CEPQRFUQGYXTHH-UHFFFAOYSA-N 0 1 398.366 3.182 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1c1ccccn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822963952 1430231762 /nfs/dbraw/zinc/23/17/62/1430231762.db2.gz BLCPJEKWROTMEG-KRWDZBQOSA-N 0 1 397.870 3.081 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000181173883 1430236909 /nfs/dbraw/zinc/23/69/09/1430236909.db2.gz GMBMEURBUUSGQB-FQEVSTJZSA-N 0 1 391.515 3.059 20 0 GGADMN CC(C)n1nnnc1-c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1F ZINC000181173658 1430236998 /nfs/dbraw/zinc/23/69/98/1430236998.db2.gz ZZVAIQMQJVGQSQ-UHFFFAOYSA-N 0 1 379.392 3.000 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cnc(Br)c(C)c2)ccc1C ZINC000181173790 1430237023 /nfs/dbraw/zinc/23/70/23/1430237023.db2.gz OPIRVFDKPMDGGX-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC[C@@H]3c3nnc[nH]3)C2)c1 ZINC000181174105 1430237384 /nfs/dbraw/zinc/23/73/84/1430237384.db2.gz VIWXQVGEGQRYQS-IEBWSBKVSA-N 0 1 395.507 3.028 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)n[nH]2)c1 ZINC000181176526 1430238503 /nfs/dbraw/zinc/23/85/03/1430238503.db2.gz HHZLNDDEOBGAJZ-IBGZPJMESA-N 0 1 377.444 3.169 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N[C@@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n1 ZINC000181176268 1430238516 /nfs/dbraw/zinc/23/85/16/1430238516.db2.gz AFPWZNWBJPJKCU-HZPDHXFCSA-N 0 1 394.397 3.091 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cnc1Br ZINC000181178149 1430239090 /nfs/dbraw/zinc/23/90/90/1430239090.db2.gz WXNKGBXWZTWWBX-JTQLQIEISA-N 0 1 383.267 3.277 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(OCC(F)F)ccn1 ZINC000181180907 1430240127 /nfs/dbraw/zinc/24/01/27/1430240127.db2.gz LULMYMZWJNWSDY-OAHLLOKOSA-N 0 1 381.448 3.354 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)ccc1N1CCOCC1 ZINC000181181068 1430240476 /nfs/dbraw/zinc/24/04/76/1430240476.db2.gz UFWSZTQCJHRXMC-UHFFFAOYSA-N 0 1 386.395 3.050 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3cc(C)ccc3OC(F)F)C2=O)n(C)n1 ZINC000181185936 1430241714 /nfs/dbraw/zinc/24/17/14/1430241714.db2.gz IMUDFXYOKNIJOD-HIFRSBDPSA-N 0 1 378.423 3.094 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN(CCCc2cccc(C)c2)CC1 ZINC000181187061 1430241981 /nfs/dbraw/zinc/24/19/81/1430241981.db2.gz TVKZWZWIVVYKFJ-UHFFFAOYSA-N 0 1 381.520 3.193 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3cc(C)ccc3OC(F)F)C2=O)n(C)n1 ZINC000181185957 1430241987 /nfs/dbraw/zinc/24/19/87/1430241987.db2.gz IMUDFXYOKNIJOD-ZFWWWQNUSA-N 0 1 378.423 3.094 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3sc(-c4cccnc4)nc3C)C2=O)n(C)n1 ZINC000181190828 1430243457 /nfs/dbraw/zinc/24/34/57/1430243457.db2.gz GGBKZKAHEHYJLY-XJKSGUPXSA-N 0 1 396.520 3.012 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3sc(-c4cccnc4)nc3C)C2=O)n(C)n1 ZINC000181190845 1430243531 /nfs/dbraw/zinc/24/35/31/1430243531.db2.gz GGBKZKAHEHYJLY-CJNGLKHVSA-N 0 1 396.520 3.012 20 0 GGADMN COCC[C@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181192818 1430244339 /nfs/dbraw/zinc/24/43/39/1430244339.db2.gz PQLWMMAASIXYEN-DJJJIMSYSA-N 0 1 383.460 3.472 20 0 GGADMN CCOC(=O)C[C@@H](OC(=O)CCc1nc[nH]n1)c1cc(Cl)cc(Cl)c1 ZINC000181193526 1430244464 /nfs/dbraw/zinc/24/44/64/1430244464.db2.gz BDIGXQWXIBXRRT-CYBMUJFWSA-N 0 1 386.235 3.282 20 0 GGADMN COC[C@H](N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)C1CC1 ZINC000181192885 1430244554 /nfs/dbraw/zinc/24/45/54/1430244554.db2.gz LCAZLHBONFUCCB-PMACEKPBSA-N 0 1 395.471 3.472 20 0 GGADMN CC[C@H](COC)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181193643 1430244771 /nfs/dbraw/zinc/24/47/71/1430244771.db2.gz PPPUPVDPRLMSPE-BEFAXECRSA-N 0 1 383.460 3.472 20 0 GGADMN COC(=O)CC(C)(C)CC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000181198378 1430245772 /nfs/dbraw/zinc/24/57/72/1430245772.db2.gz BLRZHPFHUOLSJA-GOSISDBHSA-N 0 1 390.524 3.318 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3cc(F)cc(F)c3)C2=O)c1 ZINC000181209991 1430248290 /nfs/dbraw/zinc/24/82/90/1430248290.db2.gz QIUZWCCMVGZFJK-BUXKBTBVSA-N 0 1 376.403 3.438 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cc(F)cc(F)c3)C2=O)c1 ZINC000181209973 1430248464 /nfs/dbraw/zinc/24/84/64/1430248464.db2.gz QIUZWCCMVGZFJK-CWTRNNRKSA-N 0 1 376.403 3.438 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(Cl)nc3)C2=O)c1 ZINC000181209919 1430248564 /nfs/dbraw/zinc/24/85/64/1430248564.db2.gz WSOOICKKFSHPSS-PXAZEXFGSA-N 0 1 375.856 3.208 20 0 GGADMN CCc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)cc(=O)[nH]1 ZINC000181214298 1430249039 /nfs/dbraw/zinc/24/90/39/1430249039.db2.gz NREPFBSOYQZFNE-SFHVURJKSA-N 0 1 375.900 3.404 20 0 GGADMN Cc1ccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@@H](C)CCO)cc1 ZINC000181214436 1430249618 /nfs/dbraw/zinc/24/96/18/1430249618.db2.gz KABQWWBDEXWSQJ-IBGZPJMESA-N 0 1 375.534 3.432 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)n[nH]2)cc1 ZINC000181216572 1430250102 /nfs/dbraw/zinc/25/01/02/1430250102.db2.gz ZTAUUENYUPHEES-LJQANCHMSA-N 0 1 377.444 3.169 20 0 GGADMN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181221358 1430250611 /nfs/dbraw/zinc/25/06/11/1430250611.db2.gz OLYLKMBJTQUTSX-VHSXEESVSA-N 0 1 376.350 3.303 20 0 GGADMN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181221375 1430250786 /nfs/dbraw/zinc/25/07/86/1430250786.db2.gz OLYLKMBJTQUTSX-NXEZZACHSA-N 0 1 376.350 3.303 20 0 GGADMN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181221407 1430250817 /nfs/dbraw/zinc/25/08/17/1430250817.db2.gz OLYLKMBJTQUTSX-ZJUUUORDSA-N 0 1 376.350 3.303 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000181238569 1430254352 /nfs/dbraw/zinc/25/43/52/1430254352.db2.gz UAHNYMWEZHCBQH-ZDUSSCGKSA-N 0 1 386.462 3.253 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H](O)c1cccc(F)c1 ZINC000181255938 1430257375 /nfs/dbraw/zinc/25/73/75/1430257375.db2.gz GHZYPGPPXIAXOS-LJQANCHMSA-N 0 1 383.423 3.011 20 0 GGADMN CCOc1ccccc1[C@@H](CC(C)C)NCC(=O)NC(=O)NCC(F)(F)F ZINC000181259456 1430258097 /nfs/dbraw/zinc/25/80/97/1430258097.db2.gz DEICUFRDESWYJD-CQSZACIVSA-N 0 1 389.418 3.150 20 0 GGADMN CCOc1ccccc1[C@H](CC(C)C)NCC(=O)N1CCC2(CC1)OCCO2 ZINC000181263519 1430258827 /nfs/dbraw/zinc/25/88/27/1430258827.db2.gz DRQHGUIDSROKEE-IBGZPJMESA-N 0 1 390.524 3.128 20 0 GGADMN CCOc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1ccccc1C(N)=O ZINC000181266931 1430259193 /nfs/dbraw/zinc/25/91/93/1430259193.db2.gz QOWLFMAVTCCOQB-LJQANCHMSA-N 0 1 383.492 3.500 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCOC2=O)cc1 ZINC000181267642 1430259426 /nfs/dbraw/zinc/25/94/26/1430259426.db2.gz FSISDMXSFNAYKC-OLZOCXBDSA-N 0 1 388.855 3.369 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000181267624 1430259559 /nfs/dbraw/zinc/25/95/59/1430259559.db2.gz FSISDMXSFNAYKC-STQMWFEESA-N 0 1 388.855 3.369 20 0 GGADMN Cc1nc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)sc1C ZINC000181267809 1430259576 /nfs/dbraw/zinc/25/95/76/1430259576.db2.gz QVBYQRUTYUUJJH-CHWSQXEVSA-N 0 1 388.493 3.394 20 0 GGADMN C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N2CCOC2=O)cc1 ZINC000181271351 1430260127 /nfs/dbraw/zinc/26/01/27/1430260127.db2.gz GAJCYMIYWDVNMV-CYBMUJFWSA-N 0 1 398.850 3.155 20 0 GGADMN C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N2CCOC2=O)cc1 ZINC000181271329 1430260185 /nfs/dbraw/zinc/26/01/85/1430260185.db2.gz GAJCYMIYWDVNMV-ZDUSSCGKSA-N 0 1 398.850 3.155 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N2CCC(CCCN3CCOCC3)CC2)cs1 ZINC000181272160 1430260508 /nfs/dbraw/zinc/26/05/08/1430260508.db2.gz ODZKFHAPAOMBNJ-MRXNPFEDSA-N 0 1 394.585 3.301 20 0 GGADMN CC(C)(C)CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181277641 1430261585 /nfs/dbraw/zinc/26/15/85/1430261585.db2.gz KDFIDDZCUADPGB-INIZCTEOSA-N 0 1 376.526 3.417 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000181285057 1430262650 /nfs/dbraw/zinc/26/26/50/1430262650.db2.gz LJBQRQUSWUHRCJ-HNNXBMFYSA-N 0 1 385.439 3.092 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C1=O ZINC000181286786 1430263135 /nfs/dbraw/zinc/26/31/35/1430263135.db2.gz UFYUJLYOCWTBBB-NVXWUHKLSA-N 0 1 382.460 3.313 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cccc(N3CCCC3=O)c2)C1=O ZINC000181288324 1430263301 /nfs/dbraw/zinc/26/33/01/1430263301.db2.gz JCAJLEZIBUMNFX-QFBILLFUSA-N 0 1 393.487 3.278 20 0 GGADMN O=C(O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ncn(-c2ccccc2)n1 ZINC000181289176 1430263905 /nfs/dbraw/zinc/26/39/05/1430263905.db2.gz OXQJFDFLMMKZMB-NRFANRHFSA-N 0 1 388.471 3.187 20 0 GGADMN CC[C@@H](N[C@@H]1CCN(c2ccccc2OC)C1=O)c1ccc2c(c1)OCCO2 ZINC000181288511 1430263974 /nfs/dbraw/zinc/26/39/74/1430263974.db2.gz QFDUIDNGDICLQY-IAGOWNOFSA-N 0 1 382.460 3.313 20 0 GGADMN Cc1ccc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1F ZINC000181289827 1430264330 /nfs/dbraw/zinc/26/43/30/1430264330.db2.gz FLYCGEQUNJSRJX-UHFFFAOYSA-N 0 1 377.504 3.168 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccnc1Cl ZINC000181292312 1430264629 /nfs/dbraw/zinc/26/46/29/1430264629.db2.gz KRDAVDHCNKNSMV-CHWSQXEVSA-N 0 1 388.855 3.369 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000181292280 1430264815 /nfs/dbraw/zinc/26/48/15/1430264815.db2.gz KRDAVDHCNKNSMV-OLZOCXBDSA-N 0 1 388.855 3.369 20 0 GGADMN Cc1nn(C)c2ncc(C(=O)O[C@H]3CCN(Cc4ccc5c(c4)CCC5)C3)cc12 ZINC000181295312 1430265518 /nfs/dbraw/zinc/26/55/18/1430265518.db2.gz AWDRFFSBSYJRCO-FQEVSTJZSA-N 0 1 390.487 3.197 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC1(OC)CCC1)N1CCCCC1 ZINC000181298379 1430266362 /nfs/dbraw/zinc/26/63/62/1430266362.db2.gz BJFFIRMETLFKDQ-SFHVURJKSA-N 0 1 375.513 3.091 20 0 GGADMN C[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1cccc(N2CCOC2=O)c1 ZINC000181299633 1430266728 /nfs/dbraw/zinc/26/67/28/1430266728.db2.gz FVMPXTFQJUVFBW-QGZVFWFLSA-N 0 1 393.487 3.489 20 0 GGADMN CO[C@@H](C)CCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000181304885 1430268049 /nfs/dbraw/zinc/26/80/49/1430268049.db2.gz ODAAKOOEPXKYMR-IBGZPJMESA-N 0 1 396.535 3.200 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccc(F)cc1 ZINC000181311680 1430269888 /nfs/dbraw/zinc/26/98/88/1430269888.db2.gz AMKUBXYQCYDFHY-GJZGRUSLSA-N 0 1 385.439 3.138 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCCc1cccs1 ZINC000181311241 1430269999 /nfs/dbraw/zinc/26/99/99/1430269999.db2.gz KRFKAIZWJOSOCG-GJZGRUSLSA-N 0 1 387.505 3.103 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181315729 1430271215 /nfs/dbraw/zinc/27/12/15/1430271215.db2.gz ZZFSVDPVLLSEAM-LSDHHAIUSA-N 0 1 385.468 3.098 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC000181318699 1430271550 /nfs/dbraw/zinc/27/15/50/1430271550.db2.gz CKRIBQLQSWVNAG-UGSOOPFHSA-N 0 1 378.469 3.298 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc(N2CCOC2=O)c1 ZINC000181321497 1430272473 /nfs/dbraw/zinc/27/24/73/1430272473.db2.gz FKPNYOIPOXVIAX-CYBMUJFWSA-N 0 1 386.452 3.218 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000181325688 1430273088 /nfs/dbraw/zinc/27/30/88/1430273088.db2.gz YHHKWSZWZWZTJD-SCLBCKFNSA-N 0 1 378.469 3.298 20 0 GGADMN CCc1nc(NC(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)sc1C ZINC000181324544 1430273093 /nfs/dbraw/zinc/27/30/93/1430273093.db2.gz UEPOTSKQXAEVDS-LBPRGKRZSA-N 0 1 388.493 3.260 20 0 GGADMN CCc1nc(NC(=O)CN[C@H](C)c2cccc(N3CCOC3=O)c2)sc1C ZINC000181324565 1430273115 /nfs/dbraw/zinc/27/31/15/1430273115.db2.gz UEPOTSKQXAEVDS-GFCCVEGCSA-N 0 1 388.493 3.260 20 0 GGADMN COC(=O)C1CCC(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)CC1 ZINC000181332573 1430274902 /nfs/dbraw/zinc/27/49/02/1430274902.db2.gz VUSAMHMVQIDWOK-DAWZGUTISA-N 0 1 396.491 3.157 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181333044 1430274909 /nfs/dbraw/zinc/27/49/09/1430274909.db2.gz KSWHCLGAGQOPBF-SJORKVTESA-N 0 1 381.476 3.307 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(Br)nc2C)CCN1CCOC ZINC000181335514 1430275905 /nfs/dbraw/zinc/27/59/05/1430275905.db2.gz SKECHAFVECWSQV-AWEZNQCLSA-N 0 1 399.333 3.117 20 0 GGADMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181346067 1430278784 /nfs/dbraw/zinc/27/87/84/1430278784.db2.gz JQPOOXUONRTQPU-HNNXBMFYSA-N 0 1 391.537 3.360 20 0 GGADMN O=C(CCc1cncc(F)c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181348471 1430279547 /nfs/dbraw/zinc/27/95/47/1430279547.db2.gz XQJYUWBSCLLVIO-KRWDZBQOSA-N 0 1 379.439 3.345 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC000181357872 1430280832 /nfs/dbraw/zinc/28/08/32/1430280832.db2.gz XOCABHBXXULDCN-IFMALSPDSA-N 0 1 379.504 3.111 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC000181357854 1430280915 /nfs/dbraw/zinc/28/09/15/1430280915.db2.gz XOCABHBXXULDCN-UNMCSNQZSA-N 0 1 379.504 3.111 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@@H](CC1CCC1)c1ccccc1)c1ccccc1 ZINC000181357836 1430281083 /nfs/dbraw/zinc/28/10/83/1430281083.db2.gz XOCABHBXXULDCN-RBBKRZOGSA-N 0 1 379.504 3.111 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[n-]2)C1)[NH+]1CCCCCC1 ZINC000181358978 1430281317 /nfs/dbraw/zinc/28/13/17/1430281317.db2.gz QJTPIECTXAUXOS-HKUYNNGSSA-N 0 1 381.524 3.442 20 0 GGADMN CC(C)(C)OCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000181360758 1430281689 /nfs/dbraw/zinc/28/16/89/1430281689.db2.gz LZDHQSCTRVBQAW-UHFFFAOYSA-N 0 1 395.547 3.440 20 0 GGADMN C[C@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1nc2ccccc2[nH]1 ZINC000181372066 1430283835 /nfs/dbraw/zinc/28/38/35/1430283835.db2.gz JUHAEHFIGARTOY-VIFPVBQESA-N 0 1 398.373 3.193 20 0 GGADMN C[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1nc2ccccc2[nH]1 ZINC000181372083 1430283916 /nfs/dbraw/zinc/28/39/16/1430283916.db2.gz JUHAEHFIGARTOY-SECBINFHSA-N 0 1 398.373 3.193 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000181374927 1430284123 /nfs/dbraw/zinc/28/41/23/1430284123.db2.gz FNIAWCVHZHJUMA-WFASDCNBSA-N 0 1 394.566 3.306 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000181374907 1430284312 /nfs/dbraw/zinc/28/43/12/1430284312.db2.gz FNIAWCVHZHJUMA-DOMZBBRYSA-N 0 1 394.566 3.306 20 0 GGADMN O=C(NCc1nc2ccccc2s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181382319 1430285843 /nfs/dbraw/zinc/28/58/43/1430285843.db2.gz FVBUOIJUEBRPNA-ZDUSSCGKSA-N 0 1 382.493 3.381 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181385521 1430286058 /nfs/dbraw/zinc/28/60/58/1430286058.db2.gz RXKMNCLPTRFXKD-OAHLLOKOSA-N 0 1 390.480 3.077 20 0 GGADMN C[C@H]1CCC[C@H](CO)N1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181391899 1430287745 /nfs/dbraw/zinc/28/77/45/1430287745.db2.gz UCBIFGQGBPNIOU-WMLDXEAASA-N 0 1 387.505 3.174 20 0 GGADMN CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000181396368 1430288430 /nfs/dbraw/zinc/28/84/30/1430288430.db2.gz FSLAWLWNHQJXKT-SFHVURJKSA-N 0 1 375.513 3.072 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H]3CCCOc4cc(F)ccc43)c2)CC1 ZINC000181398773 1430288771 /nfs/dbraw/zinc/28/87/71/1430288771.db2.gz CWEPGNXIUGGQMY-NRFANRHFSA-N 0 1 397.494 3.217 20 0 GGADMN C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000181400862 1430289158 /nfs/dbraw/zinc/28/91/58/1430289158.db2.gz IVGAIINSVAAWOU-HNNXBMFYSA-N 0 1 385.895 3.434 20 0 GGADMN C[C@H](NCC(=O)NCCc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000181405577 1430289850 /nfs/dbraw/zinc/28/98/50/1430289850.db2.gz DJNPQXFMWKHXSN-SFHVURJKSA-N 0 1 392.503 3.009 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000181408042 1430290299 /nfs/dbraw/zinc/29/02/99/1430290299.db2.gz OYAYNZYUJQWMPB-HOTGVXAUSA-N 0 1 394.475 3.201 20 0 GGADMN C[C@@H](NC(=O)N1CCC(CCCN2CCOCC2)CC1)c1nc2ccccc2[nH]1 ZINC000181407200 1430290307 /nfs/dbraw/zinc/29/03/07/1430290307.db2.gz PGJSLNXABHXRSW-QGZVFWFLSA-N 0 1 399.539 3.158 20 0 GGADMN COc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181408733 1430290639 /nfs/dbraw/zinc/29/06/39/1430290639.db2.gz BNGXHQZFWISYAD-DLBZAZTESA-N 0 1 395.503 3.178 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc(Cl)s1)c1cccc(N2CCCC2=O)c1 ZINC000181411875 1430291218 /nfs/dbraw/zinc/29/12/18/1430291218.db2.gz PPRMPMRMVFGZQH-ZDUSSCGKSA-N 0 1 391.924 3.495 20 0 GGADMN Cc1ccc(C(=O)N2CCN(Cc3cccc(Br)c3O)CC2)cc1 ZINC000181414399 1430292168 /nfs/dbraw/zinc/29/21/68/1430292168.db2.gz JWVABRXSROVZEX-UHFFFAOYSA-N 0 1 389.293 3.421 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181416301 1430292739 /nfs/dbraw/zinc/29/27/39/1430292739.db2.gz WBYUBOBGJJCSCT-QGZVFWFLSA-N 0 1 395.503 3.131 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCc1ccc(F)cc1 ZINC000181417040 1430293423 /nfs/dbraw/zinc/29/34/23/1430293423.db2.gz BOVOABXUKBUCBE-HOTGVXAUSA-N 0 1 383.467 3.308 20 0 GGADMN CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181419865 1430293771 /nfs/dbraw/zinc/29/37/71/1430293771.db2.gz VEIMOTCQAJLIMH-HNNXBMFYSA-N 0 1 379.460 3.305 20 0 GGADMN C[C@@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000181422385 1430294741 /nfs/dbraw/zinc/29/47/41/1430294741.db2.gz DZGZXAWDNYBXCB-IAGOWNOFSA-N 0 1 377.488 3.442 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000181427402 1430296357 /nfs/dbraw/zinc/29/63/57/1430296357.db2.gz AJSORTRMWKZPLJ-QGZVFWFLSA-N 0 1 378.904 3.271 20 0 GGADMN O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181427277 1430296370 /nfs/dbraw/zinc/29/63/70/1430296370.db2.gz BGVDJLIXJPLBKE-UHFFFAOYSA-N 0 1 384.386 3.287 20 0 GGADMN COC(=O)C1CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000181427982 1430296503 /nfs/dbraw/zinc/29/65/03/1430296503.db2.gz XMPCZVXENZDTBD-QGZVFWFLSA-N 0 1 398.425 3.081 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1F ZINC000181428256 1430296742 /nfs/dbraw/zinc/29/67/42/1430296742.db2.gz LTMLROLTIFQKNR-INIZCTEOSA-N 0 1 383.467 3.228 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181429534 1430296798 /nfs/dbraw/zinc/29/67/98/1430296798.db2.gz MXIBMWACLRAXKG-GOSISDBHSA-N 0 1 379.504 3.431 20 0 GGADMN O=C(CCN1CCCN(C(=O)c2ccc(F)cc2)CC1)OCc1ccccc1 ZINC000181429555 1430296946 /nfs/dbraw/zinc/29/69/46/1430296946.db2.gz QWZMIISQBSKLER-UHFFFAOYSA-N 0 1 384.451 3.107 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@H]2CCCC[C@@H]2O)cs1 ZINC000181431301 1430297310 /nfs/dbraw/zinc/29/73/10/1430297310.db2.gz DRSUVSMJHZYZLW-NQIIRXRSSA-N 0 1 399.560 3.491 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCCc1ccc(F)cc1 ZINC000181437238 1430298615 /nfs/dbraw/zinc/29/86/15/1430298615.db2.gz HXCRBASUJDWBDR-IRXDYDNUSA-N 0 1 397.494 3.351 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCCc1ccc(F)cc1 ZINC000181437273 1430298643 /nfs/dbraw/zinc/29/86/43/1430298643.db2.gz HXCRBASUJDWBDR-DLBZAZTESA-N 0 1 397.494 3.351 20 0 GGADMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)n(C(C)(C)C)n1 ZINC000181439369 1430299378 /nfs/dbraw/zinc/29/93/78/1430299378.db2.gz DOHKSKBYGWSTEG-MRXNPFEDSA-N 0 1 397.523 3.363 20 0 GGADMN COc1ccc(OC)c([C@@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000181441768 1430300370 /nfs/dbraw/zinc/30/03/70/1430300370.db2.gz AKQPKTNLBQLKSC-CHWSQXEVSA-N 0 1 376.403 3.438 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181445569 1430300914 /nfs/dbraw/zinc/30/09/14/1430300914.db2.gz MHUXJBSXKFVSSQ-QZTJIDSGSA-N 0 1 379.504 3.477 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181445547 1430301064 /nfs/dbraw/zinc/30/10/64/1430301064.db2.gz MHUXJBSXKFVSSQ-ROUUACIJSA-N 0 1 379.504 3.477 20 0 GGADMN CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000181446884 1430301233 /nfs/dbraw/zinc/30/12/33/1430301233.db2.gz OEHBZQZYLODLCP-CTNGQTDRSA-N 0 1 398.551 3.165 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000181446989 1430301248 /nfs/dbraw/zinc/30/12/48/1430301248.db2.gz TWUXXTXVOWNJJK-JTHBVZDNSA-N 0 1 391.515 3.100 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 ZINC000181446281 1430301479 /nfs/dbraw/zinc/30/14/79/1430301479.db2.gz OOUVTAMSAJWNKG-AAEUAGOBSA-N 0 1 395.475 3.375 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181448607 1430302109 /nfs/dbraw/zinc/30/21/09/1430302109.db2.gz UEDARHYVNVYCKT-KRWDZBQOSA-N 0 1 395.503 3.179 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000181448655 1430302130 /nfs/dbraw/zinc/30/21/30/1430302130.db2.gz RXNTYFCGYIARFD-UWJYYQICSA-N 0 1 395.503 3.360 20 0 GGADMN CN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C[C@H]1CCCC[C@@H]1O ZINC000181453225 1430303032 /nfs/dbraw/zinc/30/30/32/1430303032.db2.gz RAALJVMRHROODQ-ABAIWWIYSA-N 0 1 384.402 3.003 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N(C)CCc2ccncc2)c1 ZINC000181455121 1430303286 /nfs/dbraw/zinc/30/32/86/1430303286.db2.gz HTYWSPZPSKTGKG-QGZVFWFLSA-N 0 1 382.508 3.065 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N(C)CCc2ccncc2)c1 ZINC000181455136 1430303339 /nfs/dbraw/zinc/30/33/39/1430303339.db2.gz HTYWSPZPSKTGKG-KRWDZBQOSA-N 0 1 382.508 3.065 20 0 GGADMN CN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000181454758 1430303498 /nfs/dbraw/zinc/30/34/98/1430303498.db2.gz ZMHKJDSARXLAAU-WMZOPIPTSA-N 0 1 390.915 3.006 20 0 GGADMN CN(CCc1ccncc1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181458221 1430304132 /nfs/dbraw/zinc/30/41/32/1430304132.db2.gz MSZVJGODJBBBPH-SFHVURJKSA-N 0 1 375.419 3.353 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CNC1(c2cccc(Cl)c2)CCCC1)c1ccccc1 ZINC000181463921 1430305093 /nfs/dbraw/zinc/30/50/93/1430305093.db2.gz NXKPKSSNVGYDIC-FQEVSTJZSA-N 0 1 399.922 3.302 20 0 GGADMN CNC(=O)[C@H](NC(=O)CNC1(c2cccc(Cl)c2)CCCC1)c1ccccc1 ZINC000181463902 1430305112 /nfs/dbraw/zinc/30/51/12/1430305112.db2.gz NXKPKSSNVGYDIC-HXUWFJFHSA-N 0 1 399.922 3.302 20 0 GGADMN O=C(CCN1CCCN(C(=O)CCc2ccccc2)CC1)OCc1ccccc1 ZINC000181473292 1430307072 /nfs/dbraw/zinc/30/70/72/1430307072.db2.gz HHBZVQTZNDVUDI-UHFFFAOYSA-N 0 1 394.515 3.287 20 0 GGADMN COc1cc(C)cc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000181483398 1430308222 /nfs/dbraw/zinc/30/82/22/1430308222.db2.gz PGBDMHMCDDFSDY-UHFFFAOYSA-N 0 1 389.540 3.038 20 0 GGADMN O=C(CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)OCc1ccccc1 ZINC000181483323 1430308326 /nfs/dbraw/zinc/30/83/26/1430308326.db2.gz RSDZGPDVEPMQJM-LJQANCHMSA-N 0 1 385.439 3.155 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)[C@@H](C#N)c3ccccn3)cn2)C1 ZINC000181484932 1430308602 /nfs/dbraw/zinc/30/86/02/1430308602.db2.gz NQFKAXXJHXIAQQ-SJORKVTESA-N 0 1 395.463 3.340 20 0 GGADMN CN(CCc1ccncc1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000181490631 1430309715 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CC(C)(C)OC(=O)NC(C)(C)c1noc(CN[C@H](CCO)C2CCCCC2)n1 ZINC000181509273 1430312969 /nfs/dbraw/zinc/31/29/69/1430312969.db2.gz NHLUSKWMAOLYHG-OAHLLOKOSA-N 0 1 396.532 3.250 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000181519676 1430314418 /nfs/dbraw/zinc/31/44/18/1430314418.db2.gz NDRGLQIZOFTBHC-JTQLQIEISA-N 0 1 399.278 3.193 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000181519693 1430314482 /nfs/dbraw/zinc/31/44/82/1430314482.db2.gz NDRGLQIZOFTBHC-SNVBAGLBSA-N 0 1 399.278 3.193 20 0 GGADMN CN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181530333 1430316118 /nfs/dbraw/zinc/31/61/18/1430316118.db2.gz FSHYOYLGWHXGPB-UHFFFAOYSA-N 0 1 376.338 3.237 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000181531601 1430316172 /nfs/dbraw/zinc/31/61/72/1430316172.db2.gz IAUOVVVIAJRYMR-KZULUSFZSA-N 0 1 394.302 3.248 20 0 GGADMN CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181531820 1430316483 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CSCC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnc2ccccn21 ZINC000182124687 1430415958 /nfs/dbraw/zinc/41/59/58/1430415958.db2.gz BQSJWEGOBASKFG-HUUCEWRRSA-N 0 1 391.541 3.123 20 0 GGADMN COc1ccc(OC)c(-c2csc(NC(=O)CCCCc3cn[nH]n3)n2)c1 ZINC000182125448 1430416499 /nfs/dbraw/zinc/41/64/99/1430416499.db2.gz YJSBNIHJVZLAGO-UHFFFAOYSA-N 0 1 387.465 3.297 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182127948 1430416792 /nfs/dbraw/zinc/41/67/92/1430416792.db2.gz VTGRIMHCILTNLO-QHCPKHFHSA-N 0 1 395.547 3.236 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(-c3cccs3)ns2)[nH]n1 ZINC000182140369 1430418535 /nfs/dbraw/zinc/41/85/35/1430418535.db2.gz ZTNHTXMZTKSDBV-UHFFFAOYSA-N 0 1 385.478 3.259 20 0 GGADMN CCCCN(CCCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000182141607 1430418976 /nfs/dbraw/zinc/41/89/76/1430418976.db2.gz IZAMOCBMWMINIS-UHFFFAOYSA-N 0 1 391.295 3.203 20 0 GGADMN CN(C(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)c(Cl)c1 ZINC000182141306 1430419029 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GGADMN CC(C)CNC(=O)c1cccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000182187739 1430426738 /nfs/dbraw/zinc/42/67/38/1430426738.db2.gz ORVFUAVVKGJDHT-INIZCTEOSA-N 0 1 388.533 3.327 20 0 GGADMN O[C@H](CCc1ccccc1)CN1CCN(CCOc2ccccc2Cl)CC1 ZINC000182191116 1430427384 /nfs/dbraw/zinc/42/73/84/1430427384.db2.gz GKZCGZNYFVEIRM-HXUWFJFHSA-N 0 1 388.939 3.330 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2C[C@H](C)OC[C@H]2C)N2CCCCC2)cc1 ZINC000182197408 1430428391 /nfs/dbraw/zinc/42/83/91/1430428391.db2.gz VQWHOHRBCDSGLY-UWVAXJGDSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2C[C@@H](C)OC[C@H]2C)N2CCCCC2)cc1 ZINC000182197390 1430428402 /nfs/dbraw/zinc/42/84/02/1430428402.db2.gz VQWHOHRBCDSGLY-HLIPFELVSA-N 0 1 375.513 3.041 20 0 GGADMN CN(C)C(=O)CC1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000182205313 1430429953 /nfs/dbraw/zinc/42/99/53/1430429953.db2.gz NZWQAKGTKQRGKF-UHFFFAOYSA-N 0 1 391.531 3.143 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000182209357 1430430267 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0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000182574887 1430495962 /nfs/dbraw/zinc/49/59/62/1430495962.db2.gz ROPPHHKOAFSNJK-INIZCTEOSA-N 0 1 379.570 3.286 20 0 GGADMN COc1ccccc1CCCN1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000182581128 1430497147 /nfs/dbraw/zinc/49/71/47/1430497147.db2.gz XHDAIHCSIFEROQ-SFHVURJKSA-N 0 1 399.510 3.412 20 0 GGADMN C[C@H](NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N1CCCCC1 ZINC000182595893 1430499328 /nfs/dbraw/zinc/49/93/28/1430499328.db2.gz GUPWNXQHMUXCNW-MGPUTAFESA-N 0 1 391.943 3.288 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CCCOC(C)C)CC2)c1C ZINC000182607264 1430501535 /nfs/dbraw/zinc/50/15/35/1430501535.db2.gz RRSYKIRFYPKKSW-UHFFFAOYSA-N 0 1 391.556 3.335 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN[C@@H](C)CS(C)(=O)=O)c(C(F)(F)F)c2)n1 ZINC000182608939 1430501871 /nfs/dbraw/zinc/50/18/71/1430501871.db2.gz IQHCNSMXPURBPP-LBPRGKRZSA-N 0 1 389.443 3.031 20 0 GGADMN CC(C)OCCCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000182615432 1430502964 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GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccccc1OC(F)(F)F ZINC000182630802 1430505881 /nfs/dbraw/zinc/50/58/81/1430505881.db2.gz POZULZVOQRREMO-UHFFFAOYSA-N 0 1 379.382 3.375 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000182636792 1430507026 /nfs/dbraw/zinc/50/70/26/1430507026.db2.gz RYDBKVOQEVTSPB-KRWDZBQOSA-N 0 1 399.535 3.484 20 0 GGADMN Cc1ccc(CN(CCO)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000182646141 1430509270 /nfs/dbraw/zinc/50/92/70/1430509270.db2.gz BPOBVAAQAFVCKV-IBGZPJMESA-N 0 1 396.535 3.120 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@H](C)c2ccc(CC)cc2)n1 ZINC000182674876 1430515040 /nfs/dbraw/zinc/51/50/40/1430515040.db2.gz FUEZAIVIKLXPAA-CYBMUJFWSA-N 0 1 375.494 3.100 20 0 GGADMN COc1ccccc1OCC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182680532 1430515809 /nfs/dbraw/zinc/51/58/09/1430515809.db2.gz LIAFPFDUWQLGSS-IBGZPJMESA-N 0 1 379.460 3.073 20 0 GGADMN COc1ccccc1OCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182680532 1430515814 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3.070 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)[nH]c1C ZINC000182722796 1430527318 /nfs/dbraw/zinc/52/73/18/1430527318.db2.gz UPDZKRRANBXIKC-INIZCTEOSA-N 0 1 390.871 3.498 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)C(C)(C)c2ccccc2Cl)[nH]c1C ZINC000182728281 1430528265 /nfs/dbraw/zinc/52/82/65/1430528265.db2.gz SIPPKEYPPXROOK-UHFFFAOYSA-N 0 1 376.844 3.036 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)[C@@H](C)c2ccc3ccccc3c2)[nH]c1C ZINC000182729183 1430528773 /nfs/dbraw/zinc/52/87/73/1430528773.db2.gz LTQXWUCBCGKMRF-ZDUSSCGKSA-N 0 1 378.432 3.362 20 0 GGADMN C[C@@H]1CO[C@@H](C)CN1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000182743026 1430531420 /nfs/dbraw/zinc/53/14/20/1430531420.db2.gz WXLRAAVBAFFLGW-CVEARBPZSA-N 0 1 379.932 3.371 20 0 GGADMN COc1cc(OC)c(CNC(=O)CN[C@@H](C)c2cc(C)sc2C)c(OC)c1 ZINC000182746685 1430532032 /nfs/dbraw/zinc/53/20/32/1430532032.db2.gz OZYPXVZIRBBUIM-ZDUSSCGKSA-N 0 1 392.521 3.358 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1nnc[nH]1 ZINC000182749777 1430532741 /nfs/dbraw/zinc/53/27/41/1430532741.db2.gz CSVQOTYCXGGNSH-LIRRHRJNSA-N 0 1 377.448 3.280 20 0 GGADMN COCCOc1ccc(CNC(=O)CN[C@H](C)c2cc(C)sc2C)cc1 ZINC000182755840 1430534152 /nfs/dbraw/zinc/53/41/52/1430534152.db2.gz LRXLEVWUMCHTOU-OAHLLOKOSA-N 0 1 376.522 3.357 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)s1 ZINC000182756336 1430534488 /nfs/dbraw/zinc/53/44/88/1430534488.db2.gz BIBAODZCAYZCKA-LLVKDONJSA-N 0 1 381.448 3.049 20 0 GGADMN COc1ccc(CCNC(=O)C(C#N)C(=O)C2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000182757217 1430534528 /nfs/dbraw/zinc/53/45/28/1430534528.db2.gz KHZQDIJFRWRMDF-RLFYNMQTSA-N 0 1 386.492 3.144 20 0 GGADMN COc1ccc(CCNC(=O)C(C#N)C(=O)C2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000182757234 1430534567 /nfs/dbraw/zinc/53/45/67/1430534567.db2.gz KHZQDIJFRWRMDF-IIDMSEBBSA-N 0 1 386.492 3.144 20 0 GGADMN COCCC[C@@H](C)C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000182755906 1430534600 /nfs/dbraw/zinc/53/46/00/1430534600.db2.gz CKOLJGNAQHNTIS-MRXNPFEDSA-N 0 1 391.556 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1 386.481 3.367 20 0 GGADMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000182896519 1430565148 /nfs/dbraw/zinc/56/51/48/1430565148.db2.gz KOUAHGHFXOJRKQ-KRWDZBQOSA-N 0 1 383.492 3.026 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@H](C)c3nnc[nH]3)s2)cc1 ZINC000182895388 1430565202 /nfs/dbraw/zinc/56/52/02/1430565202.db2.gz QGRBKPVISKJIJB-NWDGAFQWSA-N 0 1 386.481 3.367 20 0 GGADMN Cc1cc(C)cc([C@@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000182909727 1430569098 /nfs/dbraw/zinc/56/90/98/1430569098.db2.gz OWRWSIILCJDMBO-IAGOWNOFSA-N 0 1 385.483 3.087 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000182910139 1430569114 /nfs/dbraw/zinc/56/91/14/1430569114.db2.gz TXUNKTFPRXMPHM-UHFFFAOYSA-N 0 1 395.841 3.087 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3F)C(C)C)CCO2)n[nH]1 ZINC000182912414 1430569655 /nfs/dbraw/zinc/56/96/55/1430569655.db2.gz NMNMEQGDSPNCNH-CVEARBPZSA-N 0 1 395.866 3.386 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccc(OC)c(Br)n1)c1ccco1 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377.520 3.360 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccn3)cc2C[C@H]1C ZINC000182947831 1430578348 /nfs/dbraw/zinc/57/83/48/1430578348.db2.gz MFGRUJDRKUODQM-SNVBAGLBSA-N 0 1 399.394 3.199 20 0 GGADMN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@@H](C)Cc1ccsc1 ZINC000182960793 1430581173 /nfs/dbraw/zinc/58/11/73/1430581173.db2.gz RSRIBMPQESKCAV-ZDUSSCGKSA-N 0 1 387.505 3.455 20 0 GGADMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)Cc1ccsc1 ZINC000182960713 1430581185 /nfs/dbraw/zinc/58/11/85/1430581185.db2.gz OEKSMRMIXCHBOY-QGZVFWFLSA-N 0 1 387.549 3.476 20 0 GGADMN c1c(CN2CCN(Cc3cccc4ccccc43)CC2)nnn1Cc1cccnc1 ZINC000182961223 1430581194 /nfs/dbraw/zinc/58/11/94/1430581194.db2.gz OQZGFVRTRIVZEA-UHFFFAOYSA-N 0 1 398.514 3.192 20 0 GGADMN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000182964016 1430581423 /nfs/dbraw/zinc/58/14/23/1430581423.db2.gz YUQSJKZKILMGES-INIZCTEOSA-N 0 1 379.460 3.394 20 0 GGADMN Clc1ccc(CN2CCCN(Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000182971111 1430583096 /nfs/dbraw/zinc/58/30/96/1430583096.db2.gz UEOOQOPUTYSASS-UHFFFAOYSA-N 0 1 396.926 3.083 20 0 GGADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000182985446 1430585473 /nfs/dbraw/zinc/58/54/73/1430585473.db2.gz HFYIBLIZXVUEMV-INIZCTEOSA-N 0 1 395.494 3.116 20 0 GGADMN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000182989578 1430586538 /nfs/dbraw/zinc/58/65/38/1430586538.db2.gz RCJMUTFINQNYAE-LIRRHRJNSA-N 0 1 386.517 3.142 20 0 GGADMN CC(C)Cn1cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cn1 ZINC000182996250 1430588475 /nfs/dbraw/zinc/58/84/75/1430588475.db2.gz AZPNOYMNBDENNE-UHFFFAOYSA-N 0 1 384.480 3.119 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[nH]1 ZINC000182995909 1430588559 /nfs/dbraw/zinc/58/85/59/1430588559.db2.gz IKDRNUFWKXVFBP-UHFFFAOYSA-N 0 1 378.360 3.240 20 0 GGADMN COc1ccc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c(OC)c1 ZINC000183003948 1430590082 /nfs/dbraw/zinc/59/00/82/1430590082.db2.gz JATGVEHTSJMCOT-MGPUTAFESA-N 0 1 383.492 3.327 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc2c(c1)OCCCO2 ZINC000183005880 1430590860 /nfs/dbraw/zinc/59/08/60/1430590860.db2.gz AJGWWBYFJHCKCO-OXQOHEQNSA-N 0 1 395.503 3.471 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)NCc2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000183005782 1430590887 /nfs/dbraw/zinc/59/08/87/1430590887.db2.gz YZBVTTHVKUSWLH-CQSZACIVSA-N 0 1 384.430 3.426 20 0 GGADMN COc1ccc(OC)c([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 ZINC000183007268 1430591137 /nfs/dbraw/zinc/59/11/37/1430591137.db2.gz YTYMKMWTUYWIAF-FOIQADDNSA-N 0 1 383.492 3.327 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)Nc1c(C)cccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183011522 1430591996 /nfs/dbraw/zinc/59/19/96/1430591996.db2.gz OULXDDFQRLWERF-QAPCUYQASA-N 0 1 389.521 3.019 20 0 GGADMN COc1cccc(Oc2ncccc2CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000183015092 1430592704 /nfs/dbraw/zinc/59/27/04/1430592704.db2.gz IVGREETVSVIHFV-RBUKOAKNSA-N 0 1 390.505 3.328 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)Nc1cc(C)ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183013212 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3.165 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc2[nH]c1=S ZINC000183071185 1430605889 /nfs/dbraw/zinc/60/58/89/1430605889.db2.gz KFIBAMXZUBBHDW-LBPRGKRZSA-N 0 1 387.427 3.319 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(F)(F)F ZINC000183074749 1430606963 /nfs/dbraw/zinc/60/69/63/1430606963.db2.gz WRQIBMNMOSCTJU-ZDUSSCGKSA-N 0 1 384.402 3.166 20 0 GGADMN CC(C)CN(Cc1cn(Cc2cccnc2)nn1)C[C@H](O)c1ccc(F)cc1 ZINC000183080637 1430608068 /nfs/dbraw/zinc/60/80/68/1430608068.db2.gz CMJRKUZZGGIONB-NRFANRHFSA-N 0 1 383.471 3.052 20 0 GGADMN Cc1ncc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c(C)n1 ZINC000183092277 1430610853 /nfs/dbraw/zinc/61/08/53/1430610853.db2.gz DRRDSCQXYHVNIK-UHFFFAOYSA-N 0 1 381.480 3.160 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCN1Cc1ccccc1 ZINC000183096315 1430611172 /nfs/dbraw/zinc/61/11/72/1430611172.db2.gz ZTTDMKVXWOWWTI-GOSISDBHSA-N 0 1 398.482 3.443 20 0 GGADMN C[S@@](=O)C[C@@H](NC[C@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000183101868 1430613045 /nfs/dbraw/zinc/61/30/45/1430613045.db2.gz BHXZDVCHVPNTAK-LPOPLRKUSA-N 0 1 383.513 3.289 20 0 GGADMN Cn1ccnc1COc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183102706 1430613834 /nfs/dbraw/zinc/61/38/34/1430613834.db2.gz QONFAMFYQOAZSD-HRFSGMKKSA-N 0 1 383.517 3.209 20 0 GGADMN C[C@@H](NC(=O)NCC(C)(C)Sc1ccc(Br)cc1)c1nnc[nH]1 ZINC000183117117 1430618507 /nfs/dbraw/zinc/61/85/07/1430618507.db2.gz BRPCMMYQKLXHEV-SNVBAGLBSA-N 0 1 398.330 3.498 20 0 GGADMN CC(C)Cn1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC000183119719 1430619474 /nfs/dbraw/zinc/61/94/74/1430619474.db2.gz LHLYMUXQHVRHHA-MRXNPFEDSA-N 0 1 375.904 3.438 20 0 GGADMN CN(C(=O)c1cc(OCC(F)F)ccn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183135945 1430625330 /nfs/dbraw/zinc/62/53/30/1430625330.db2.gz ZGVIPLXOAIUOPQ-KRWDZBQOSA-N 0 1 389.446 3.462 20 0 GGADMN CC(C)Cn1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cn1 ZINC000183140850 1430626972 /nfs/dbraw/zinc/62/69/72/1430626972.db2.gz KARNNVMOWCHDRQ-KRWDZBQOSA-N 0 1 385.430 3.430 20 0 GGADMN CC(C)Cn1cc(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cn1 ZINC000183140850 1430626978 /nfs/dbraw/zinc/62/69/78/1430626978.db2.gz KARNNVMOWCHDRQ-KRWDZBQOSA-N 0 1 385.430 3.430 20 0 GGADMN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C[C@@H]1C ZINC000183140278 1430627138 /nfs/dbraw/zinc/62/71/38/1430627138.db2.gz JIDZIZCGWSOKFZ-RYRKJORJSA-N 0 1 389.565 3.115 20 0 GGADMN CC(C)Cn1cc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cn1 ZINC000183142158 1430627715 /nfs/dbraw/zinc/62/77/15/1430627715.db2.gz HODFUTYDOHZRKR-MRXNPFEDSA-N 0 1 385.430 3.430 20 0 GGADMN C[S@](=O)C[C@@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000183167027 1430636362 /nfs/dbraw/zinc/63/63/62/1430636362.db2.gz WIACEIZWJWVLQM-ZOIIRCJOSA-N 0 1 389.561 3.433 20 0 GGADMN C[S@](=O)C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000183167010 1430636724 /nfs/dbraw/zinc/63/67/24/1430636724.db2.gz WIACEIZWJWVLQM-NJVGLYJLSA-N 0 1 389.561 3.433 20 0 GGADMN COc1cccc(C(=O)NCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000183180327 1430640426 /nfs/dbraw/zinc/64/04/26/1430640426.db2.gz OJUAKAWHXMJSFK-UHFFFAOYSA-N 0 1 390.399 3.200 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183181114 1430641136 /nfs/dbraw/zinc/64/11/36/1430641136.db2.gz AWALNPTVDQJXOO-QLFBSQMISA-N 0 1 386.462 3.432 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1F)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183194828 1430644577 /nfs/dbraw/zinc/64/45/77/1430644577.db2.gz WLUGQPNHJDHEDY-ZDUSSCGKSA-N 0 1 398.404 3.383 20 0 GGADMN Cc1[nH]ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000183202471 1430646989 /nfs/dbraw/zinc/64/69/89/1430646989.db2.gz VQAUMDSYEOJZOX-HOTGVXAUSA-N 0 1 397.372 3.139 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204472 1430647318 /nfs/dbraw/zinc/64/73/18/1430647318.db2.gz JZHUTXZFRFZGQF-UHFFFAOYSA-N 0 1 398.404 3.337 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000183203359 1430647637 /nfs/dbraw/zinc/64/76/37/1430647637.db2.gz VKFNIWGDCWNKGO-CQSZACIVSA-N 0 1 380.414 3.416 20 0 GGADMN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183215340 1430650128 /nfs/dbraw/zinc/65/01/28/1430650128.db2.gz GRSLRBSOKKUXFP-ZYSHUDEJSA-N 0 1 397.922 3.139 20 0 GGADMN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183215356 1430650209 /nfs/dbraw/zinc/65/02/09/1430650209.db2.gz GRSLRBSOKKUXFP-AYOQOUSVSA-N 0 1 397.922 3.139 20 0 GGADMN CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000183222544 1430651405 /nfs/dbraw/zinc/65/14/05/1430651405.db2.gz VMKDKAMSKHCVFY-FGZHOGPDSA-N 0 1 387.568 3.148 20 0 GGADMN Cc1ccccc1[C@@H](NCc1nnc2n1c1ccccc1c(=O)n2C)C(C)C ZINC000183225079 1430651993 /nfs/dbraw/zinc/65/19/93/1430651993.db2.gz VSWATJAVBSBPAT-FQEVSTJZSA-N 0 1 375.476 3.377 20 0 GGADMN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCO1 ZINC000183226805 1430653278 /nfs/dbraw/zinc/65/32/78/1430653278.db2.gz IFFHEEHKPZNMTM-VXKWHMMOSA-N 0 1 387.568 3.148 20 0 GGADMN Cc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1-c1nnnn1C1CC1 ZINC000183230301 1430653858 /nfs/dbraw/zinc/65/38/58/1430653858.db2.gz AJXNNFDLHKGEKK-UHFFFAOYSA-N 0 1 389.507 3.455 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1 ZINC000183239046 1430657023 /nfs/dbraw/zinc/65/70/23/1430657023.db2.gz BSRMMCRKWDMWFT-UHFFFAOYSA-N 0 1 381.219 3.418 20 0 GGADMN C[C@@H](CCc1cccc(F)c1)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000183255041 1430661067 /nfs/dbraw/zinc/66/10/67/1430661067.db2.gz PJCPOXBXYQLIIM-DXIQSLLYSA-N 0 1 389.559 3.459 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183258902 1430662110 /nfs/dbraw/zinc/66/21/10/1430662110.db2.gz YFSPDTMYKXUXKB-SJORKVTESA-N 0 1 382.570 3.155 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)Cc3cn4ccsc4n3)CCN2C2CC2)c1 ZINC000183263434 1430663854 /nfs/dbraw/zinc/66/38/54/1430663854.db2.gz GWFZNUBGKGEGRU-AZUAARDMSA-N 0 1 396.516 3.041 20 0 GGADMN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](c2oc3ccccc3c2C)C(C)C)C1 ZINC000183267614 1430664517 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COC(=O)COc1ccccc1[C@H](C)NCc1ccc(N2CCCC2=O)cc1 ZINC000183315089 1430676799 /nfs/dbraw/zinc/67/67/99/1430676799.db2.gz DTKHKKWDOJKGGS-INIZCTEOSA-N 0 1 382.460 3.216 20 0 GGADMN CCCN(Cn1cc([N+](=O)[O-])c(C)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183322544 1430679151 /nfs/dbraw/zinc/67/91/51/1430679151.db2.gz DIYMOHYXFVMXKY-UHFFFAOYSA-N 0 1 385.468 3.074 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000183336963 1430682467 /nfs/dbraw/zinc/68/24/67/1430682467.db2.gz MSSBLOYRTOJKOK-QRWLVFNGSA-N 0 1 390.503 3.148 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CSc3nnc4ccccn43)[nH]c2c1 ZINC000183341312 1430682901 /nfs/dbraw/zinc/68/29/01/1430682901.db2.gz NKVRCVOHQSNLPI-MRXNPFEDSA-N 0 1 392.488 3.370 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@@H](C)c2cnn(C)c2C)cs1 ZINC000183346297 1430684019 /nfs/dbraw/zinc/68/40/19/1430684019.db2.gz LKIBVRCYXVQLJO-ZDUSSCGKSA-N 0 1 395.532 3.400 20 0 GGADMN O=C(CN[C@@H](CCSc1ccccc1)c1ccc(F)cc1)N1CCOCC1 ZINC000183362394 1430689593 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Cc1c2ccccc2oc1[C@@H](C)NCC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000183570882 1430743647 /nfs/dbraw/zinc/74/36/47/1430743647.db2.gz FBHVXWCCBJTXRW-QGZVFWFLSA-N 0 1 393.487 3.296 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183569018 1430743814 /nfs/dbraw/zinc/74/38/14/1430743814.db2.gz BUYAILCYOBDJHZ-CQSZACIVSA-N 0 1 398.488 3.400 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183568998 1430743921 /nfs/dbraw/zinc/74/39/21/1430743921.db2.gz BUYAILCYOBDJHZ-AWEZNQCLSA-N 0 1 398.488 3.400 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CCCOCC1)N1CCCCC1 ZINC000183591384 1430749066 /nfs/dbraw/zinc/74/90/66/1430749066.db2.gz KOKMKWCQYWQPTM-HKUYNNGSSA-N 0 1 375.513 3.091 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)s1 ZINC000183596353 1430750390 /nfs/dbraw/zinc/75/03/90/1430750390.db2.gz XKFYSUNEOKAFOR-AWEZNQCLSA-N 0 1 384.509 3.356 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCc3c(cccc3OC)C2)N(C)C)c1 ZINC000183629981 1430758618 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GGADMN CC[C@@H]1C[C@H](C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000183698141 1430775908 /nfs/dbraw/zinc/77/59/08/1430775908.db2.gz VXMMZZAHXLQRQJ-YLJYHZDGSA-N 0 1 393.959 3.174 20 0 GGADMN CC(C)(C)[C@@H](CCO)NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000183699283 1430776344 /nfs/dbraw/zinc/77/63/44/1430776344.db2.gz QYOKFWYUNWREDF-CYBMUJFWSA-N 0 1 391.825 3.221 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000183713905 1430779423 /nfs/dbraw/zinc/77/94/23/1430779423.db2.gz SVZSVGFBXPTZON-IRXDYDNUSA-N 0 1 393.409 3.123 20 0 GGADMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@H](C)c1cccc(C)c1C ZINC000183715979 1430779753 /nfs/dbraw/zinc/77/97/53/1430779753.db2.gz HWSCOXJGLAQPCB-QGZVFWFLSA-N 0 1 383.492 3.026 20 0 GGADMN COc1ccc(C2(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CCCC2)cc1 ZINC000183716768 1430779834 /nfs/dbraw/zinc/77/98/34/1430779834.db2.gz DVTGIJZKTXVTFA-HNNXBMFYSA-N 0 1 386.414 3.284 20 0 GGADMN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1nc2ccccc2[nH]1 ZINC000183717974 1430780354 /nfs/dbraw/zinc/78/03/54/1430780354.db2.gz HUKAHBGQGRNLGO-GJZGRUSLSA-N 0 1 398.429 3.469 20 0 GGADMN Cc1cccc([C@@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1C ZINC000183721812 1430780707 /nfs/dbraw/zinc/78/07/07/1430780707.db2.gz SFYNYFHWPNJTSK-IAGOWNOFSA-N 0 1 385.483 3.087 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)nn1 ZINC000183724748 1430781618 /nfs/dbraw/zinc/78/16/18/1430781618.db2.gz RSTKFQBGFAMYAP-UHFFFAOYSA-N 0 1 383.477 3.025 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccccc4-n4ccnn4)C3)[nH]c2c1 ZINC000183729003 1430782366 /nfs/dbraw/zinc/78/23/66/1430782366.db2.gz QBKLBISLDWLQPM-INIZCTEOSA-N 0 1 386.459 3.472 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1 ZINC000183731873 1430782790 /nfs/dbraw/zinc/78/27/90/1430782790.db2.gz SPHXPAFCDFHBNJ-HNNXBMFYSA-N 0 1 382.386 3.131 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CCC2 ZINC000183730737 1430782798 /nfs/dbraw/zinc/78/27/98/1430782798.db2.gz JWZWUGNZXKPADD-AAEUAGOBSA-N 0 1 391.459 3.244 20 0 GGADMN c1c(CNCCCO[C@@H]2CCCc3ccccc32)nnn1Cc1cccnc1 ZINC000183759820 1430788079 /nfs/dbraw/zinc/78/80/79/1430788079.db2.gz MLUOUHCKPZOBFQ-JOCHJYFZSA-N 0 1 377.492 3.295 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C ZINC000183763400 1430789185 /nfs/dbraw/zinc/78/91/85/1430789185.db2.gz QFEZZYYWXMTGBD-DZGCQCFKSA-N 0 1 394.518 3.168 20 0 GGADMN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c([O-])cc(Cl)cc1Cl ZINC000183772298 1430790219 /nfs/dbraw/zinc/79/02/19/1430790219.db2.gz SRCQGAHPCRJPFF-OAHLLOKOSA-N 0 1 395.286 3.196 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000183771867 1430790510 /nfs/dbraw/zinc/79/05/10/1430790510.db2.gz SFEDNLGXJRZDCP-JKSUJKDBSA-N 0 1 381.542 3.114 20 0 GGADMN O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c([O-])cc(Cl)cc1Cl ZINC000183772279 1430790521 /nfs/dbraw/zinc/79/05/21/1430790521.db2.gz SRCQGAHPCRJPFF-HNNXBMFYSA-N 0 1 395.286 3.196 20 0 GGADMN Cc1ccccc1-n1nccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1 ZINC000183772889 1430790586 /nfs/dbraw/zinc/79/05/86/1430790586.db2.gz BHMWGOMXKMQXOO-UHFFFAOYSA-N 0 1 385.811 3.006 20 0 GGADMN Cc1cnc([C@@H](C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 ZINC000183777864 1430791813 /nfs/dbraw/zinc/79/18/13/1430791813.db2.gz VYWNROPBMIEPBX-GOEBONIOSA-N 0 1 387.553 3.475 20 0 GGADMN Cc1csc([C@H](C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000183777800 1430791833 /nfs/dbraw/zinc/79/18/33/1430791833.db2.gz XABREBSGWDUXPO-GDBMZVCRSA-N 0 1 387.553 3.475 20 0 GGADMN Cc1cnc([C@@H](C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 ZINC000183777835 1430791921 /nfs/dbraw/zinc/79/19/21/1430791921.db2.gz VYWNROPBMIEPBX-HOCLYGCPSA-N 0 1 387.553 3.475 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000183779733 1430791978 /nfs/dbraw/zinc/79/19/78/1430791978.db2.gz HLAFZWFDPRMFEA-LPHOPBHVSA-N 0 1 382.460 3.003 20 0 GGADMN Cc1cnc([C@H](C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 ZINC000183777876 1430792083 /nfs/dbraw/zinc/79/20/83/1430792083.db2.gz VYWNROPBMIEPBX-GDBMZVCRSA-N 0 1 387.553 3.475 20 0 GGADMN O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000183781970 1430792490 /nfs/dbraw/zinc/79/24/90/1430792490.db2.gz VOKRYXHZQMQRGO-LJQANCHMSA-N 0 1 376.456 3.042 20 0 GGADMN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000183781970 1430792495 /nfs/dbraw/zinc/79/24/95/1430792495.db2.gz VOKRYXHZQMQRGO-LJQANCHMSA-N 0 1 376.456 3.042 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(C)o1 ZINC000183786421 1430793414 /nfs/dbraw/zinc/79/34/14/1430793414.db2.gz IVHCRKCMJYPFRU-MRXNPFEDSA-N 0 1 383.492 3.099 20 0 GGADMN Cc1cc([C@H](C)N[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1 ZINC000183785566 1430793839 /nfs/dbraw/zinc/79/38/39/1430793839.db2.gz RTGVXDFBBAKRFM-GJZGRUSLSA-N 0 1 396.491 3.372 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)o1 ZINC000183793992 1430795510 /nfs/dbraw/zinc/79/55/10/1430795510.db2.gz BNNDWAKMPQOIAG-RDJZCZTQSA-N 0 1 389.540 3.044 20 0 GGADMN Cc1cc2c(cc1NC(=O)NC1CCN([C@@H](C)c3ccncc3)CC1)OCO2 ZINC000183801547 1430797097 /nfs/dbraw/zinc/79/70/97/1430797097.db2.gz QLMYUUUIRHCWAF-HNNXBMFYSA-N 0 1 382.464 3.466 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@H](CN1CCOCC1)c1ccc(CC)cc1 ZINC000183813210 1430800102 /nfs/dbraw/zinc/80/01/02/1430800102.db2.gz NDEBMBPZPBTTKS-JOCHJYFZSA-N 0 1 384.568 3.270 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@@H](CN1CCOCC1)c1ccc(CC)cc1 ZINC000183813228 1430800109 /nfs/dbraw/zinc/80/01/09/1430800109.db2.gz NDEBMBPZPBTTKS-QFIPXVFZSA-N 0 1 384.568 3.270 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](C)c2cc(C)oc2C)n(-c2nc(C)cc(C)n2)n1 ZINC000183845800 1430804307 /nfs/dbraw/zinc/80/43/07/1430804307.db2.gz WKTCIECQSICOJU-HNNXBMFYSA-N 0 1 382.468 3.087 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)CN1CCC[C@@H](C2(C)OCCO2)C1)c1cccs1 ZINC000183852587 1430805247 /nfs/dbraw/zinc/80/52/47/1430805247.db2.gz BKKGPHPUJVHZHB-QAPCUYQASA-N 0 1 380.554 3.427 20 0 GGADMN C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000183857602 1430805698 /nfs/dbraw/zinc/80/56/98/1430805698.db2.gz BMYBGVAAUGVLEW-NRFANRHFSA-N 0 1 379.485 3.449 20 0 GGADMN Cc1cc(NC(=O)CN2CCC[C@@H](C3(C)OCCO3)C2)ccc1Br ZINC000183861114 1430805944 /nfs/dbraw/zinc/80/59/44/1430805944.db2.gz HATMHSPUNJAWLR-CQSZACIVSA-N 0 1 397.313 3.171 20 0 GGADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183875942 1430807778 /nfs/dbraw/zinc/80/77/78/1430807778.db2.gz MXUMTCYBIVVIGU-STQMWFEESA-N 0 1 393.484 3.237 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)[nH]n1 ZINC000183879746 1430808128 /nfs/dbraw/zinc/80/81/28/1430808128.db2.gz ZVCZXHNRPPIJOB-ZDUSSCGKSA-N 0 1 375.432 3.148 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cnc2c(c1)ncn2C)c1cccc(C(F)(F)F)c1 ZINC000183893572 1430809915 /nfs/dbraw/zinc/80/99/15/1430809915.db2.gz OJNYUWULSKHKMP-MRXNPFEDSA-N 0 1 391.397 3.020 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183899269 1430810330 /nfs/dbraw/zinc/81/03/30/1430810330.db2.gz WMOJOYGITALSBA-KGLIPLIRSA-N 0 1 384.423 3.090 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CSCCS1)c1cccc(C(F)(F)F)c1 ZINC000183899000 1430810347 /nfs/dbraw/zinc/81/03/47/1430810347.db2.gz XCNAJAXEPKFVMV-KBPBESRZSA-N 0 1 378.485 3.273 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000183899815 1430810623 /nfs/dbraw/zinc/81/06/23/1430810623.db2.gz JWWRTBSXCGZWRQ-QGZVFWFLSA-N 0 1 380.414 3.245 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000183901399 1430810832 /nfs/dbraw/zinc/81/08/32/1430810832.db2.gz CXNSGONHMAQDMI-KRWDZBQOSA-N 0 1 393.409 3.371 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(OC(F)F)cc1 ZINC000183944849 1430816463 /nfs/dbraw/zinc/81/64/63/1430816463.db2.gz QQBKYWODSWSRSN-UHFFFAOYSA-N 0 1 389.362 3.307 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCN1Cc1ccccc1 ZINC000183951968 1430817692 /nfs/dbraw/zinc/81/76/92/1430817692.db2.gz LDAVBHGECAZISP-QGZVFWFLSA-N 0 1 384.455 3.053 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)c1ccco1 ZINC000183956824 1430818524 /nfs/dbraw/zinc/81/85/24/1430818524.db2.gz QHFLEQHJKHZJJT-SFHVURJKSA-N 0 1 399.495 3.009 20 0 GGADMN O=C1CCCC(=O)N1Cc1ccc(NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000183967597 1430820220 /nfs/dbraw/zinc/82/02/20/1430820220.db2.gz ZEZVHNFOVUUSOJ-UHFFFAOYSA-N 0 1 392.503 3.197 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC2(CO)CCCC2)CC1 ZINC000183969812 1430820434 /nfs/dbraw/zinc/82/04/34/1430820434.db2.gz NXYXCNBUKARKAH-UHFFFAOYSA-N 0 1 394.947 3.156 20 0 GGADMN CCOc1cc(NC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)ncn1 ZINC000183978411 1430821977 /nfs/dbraw/zinc/82/19/77/1430821977.db2.gz CQIQKOFHQGXTEV-UHFFFAOYSA-N 0 1 398.492 3.044 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000183991889 1430825232 /nfs/dbraw/zinc/82/52/32/1430825232.db2.gz BCPUMPNPCGJFFS-FCHUYYIVSA-N 0 1 394.519 3.266 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc2c(c1)OCCO2 ZINC000183996066 1430825989 /nfs/dbraw/zinc/82/59/89/1430825989.db2.gz DSWYSCGYBKFASX-LJQANCHMSA-N 0 1 378.432 3.370 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(COC(C)(C)C)on2)N(C)C)c1 ZINC000183998630 1430826319 /nfs/dbraw/zinc/82/63/19/1430826319.db2.gz NLKHIPBBYTWIQC-SFHVURJKSA-N 0 1 375.469 3.031 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(C)c2)CCN1Cc1ccccc1 ZINC000184003318 1430827148 /nfs/dbraw/zinc/82/71/48/1430827148.db2.gz GICVDASLWARQMP-LJQANCHMSA-N 0 1 380.492 3.222 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl ZINC000184007091 1430827854 /nfs/dbraw/zinc/82/78/54/1430827854.db2.gz FDRKVNSLOHWEEH-HNNXBMFYSA-N 0 1 394.924 3.212 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1NC(=O)NCC1(CN(C)C)CCCC1 ZINC000184019090 1430829816 /nfs/dbraw/zinc/82/98/16/1430829816.db2.gz QDOPZWCTCXLQTF-UHFFFAOYSA-N 0 1 381.542 3.112 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC[C@@H](c4c(F)cccc4F)C3)c2)CC1 ZINC000184024021 1430830697 /nfs/dbraw/zinc/83/06/97/1430830697.db2.gz LOZKYXKPYJJNKC-LJQANCHMSA-N 0 1 399.485 3.342 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000184026602 1430831361 /nfs/dbraw/zinc/83/13/61/1430831361.db2.gz PEVPBTDVVCFGNP-MRXNPFEDSA-N 0 1 391.865 3.361 20 0 GGADMN CCc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cnn1-c1ccccc1OC ZINC000184038780 1430832753 /nfs/dbraw/zinc/83/27/53/1430832753.db2.gz QSILBKXRKGSWSD-UHFFFAOYSA-N 0 1 392.419 3.382 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CSc3nnc4ccccn43)c2C1 ZINC000184042212 1430833368 /nfs/dbraw/zinc/83/33/68/1430833368.db2.gz MZIXCQPAFXRUHJ-UHFFFAOYSA-N 0 1 381.505 3.432 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000184059745 1430835765 /nfs/dbraw/zinc/83/57/65/1430835765.db2.gz RDNBLQKAKKMPEA-OAHLLOKOSA-N 0 1 386.418 3.090 20 0 GGADMN COc1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1F ZINC000184069343 1430837265 /nfs/dbraw/zinc/83/72/65/1430837265.db2.gz NJXDMCZZWKOFGF-UHFFFAOYSA-N 0 1 388.218 3.125 20 0 GGADMN COc1ccccc1C(=O)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000184072139 1430837506 /nfs/dbraw/zinc/83/75/06/1430837506.db2.gz RIIUGNKCLKRPSQ-HNNXBMFYSA-N 0 1 377.444 3.469 20 0 GGADMN COc1c(C)ccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1C ZINC000184075107 1430837854 /nfs/dbraw/zinc/83/78/54/1430837854.db2.gz OYCVXSDUSUHBPP-UHFFFAOYSA-N 0 1 381.436 3.331 20 0 GGADMN COCCn1c2ccccc2nc1NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000184078764 1430838338 /nfs/dbraw/zinc/83/83/38/1430838338.db2.gz MLNJLJJRYNYBBA-HXUWFJFHSA-N 0 1 378.476 3.286 20 0 GGADMN COCCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000184078741 1430838412 /nfs/dbraw/zinc/83/84/12/1430838412.db2.gz MLNJLJJRYNYBBA-FQEVSTJZSA-N 0 1 378.476 3.286 20 0 GGADMN CN(C)c1c(Cl)cccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1 ZINC000184083716 1430839099 /nfs/dbraw/zinc/83/90/99/1430839099.db2.gz INUBJTDRRJNUPQ-UHFFFAOYSA-N 0 1 383.235 3.232 20 0 GGADMN CCOC(=O)[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc(C)c1C ZINC000184084873 1430839190 /nfs/dbraw/zinc/83/91/90/1430839190.db2.gz SKDVCONKQPRQAK-SFHVURJKSA-N 0 1 378.432 3.123 20 0 GGADMN CCOC(=O)[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc(C)c1C ZINC000184084857 1430839372 /nfs/dbraw/zinc/83/93/72/1430839372.db2.gz SKDVCONKQPRQAK-GOSISDBHSA-N 0 1 378.432 3.123 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000184090413 1430839859 /nfs/dbraw/zinc/83/98/59/1430839859.db2.gz GLGIEGVKASKRHH-UHFFFAOYSA-N 0 1 395.246 3.210 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184091696 1430840203 /nfs/dbraw/zinc/84/02/03/1430840203.db2.gz QSTODVILODXGOG-NSHDSACASA-N 0 1 387.411 3.120 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)c1cccc(F)c1 ZINC000184113515 1430843137 /nfs/dbraw/zinc/84/31/37/1430843137.db2.gz PZWXLBADNBIMBV-FQEVSTJZSA-N 0 1 385.483 3.122 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC000184119278 1430843693 /nfs/dbraw/zinc/84/36/93/1430843693.db2.gz PFCIVZOCDMJHQZ-QFBILLFUSA-N 0 1 393.503 3.192 20 0 GGADMN CSc1c(F)cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1F ZINC000184147725 1430847296 /nfs/dbraw/zinc/84/72/96/1430847296.db2.gz CGNRWULUAJIUBS-ZDUSSCGKSA-N 0 1 399.488 3.106 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000184177798 1430851437 /nfs/dbraw/zinc/85/14/37/1430851437.db2.gz NQFLZBLKRZGYIW-AZUAARDMSA-N 0 1 393.890 3.289 20 0 GGADMN CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184190712 1430854016 /nfs/dbraw/zinc/85/40/16/1430854016.db2.gz RFQKHIHAHBDBNU-FQEVSTJZSA-N 0 1 390.487 3.315 20 0 GGADMN C[C@@H](CC(=O)NC(C)(C)CCN1CCN(C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000184195140 1430854532 /nfs/dbraw/zinc/85/45/32/1430854532.db2.gz GHNDKUPWMOFRFA-INIZCTEOSA-N 0 1 393.959 3.081 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C[S@](C)=O ZINC000184205145 1430856294 /nfs/dbraw/zinc/85/62/94/1430856294.db2.gz GWGLUBUFQCBPSM-VVUMAWNLSA-N 0 1 385.533 3.207 20 0 GGADMN COC(=O)c1cccc2nc(NS(=O)(=O)C=Cc3cccc(Cl)c3)[nH]c21 ZINC000184213845 1430857275 /nfs/dbraw/zinc/85/72/75/1430857275.db2.gz NMHNCKKUMSMIRN-CMDGGOBGSA-N 0 1 391.836 3.416 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@]1(C)Cc1ccccc1)N1CCN(C)CC1 ZINC000184231819 1430859785 /nfs/dbraw/zinc/85/97/85/1430859785.db2.gz HJJSDKOCCBFNHM-FYYLOGMGSA-N 0 1 386.584 3.065 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@@]1(C)Cc1ccccc1)N1CCN(C)CC1 ZINC000184231789 1430859862 /nfs/dbraw/zinc/85/98/62/1430859862.db2.gz HJJSDKOCCBFNHM-GGAORHGYSA-N 0 1 386.584 3.065 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(C)cnn2Cc2ccccc2F)c(C)c1 ZINC000184233768 1430860181 /nfs/dbraw/zinc/86/01/81/1430860181.db2.gz GWQMVZANHLQVEJ-UHFFFAOYSA-N 0 1 389.452 3.497 20 0 GGADMN CCO[C@H]1C[C@H](N(C)CCCS(=O)(=O)c2ccccc2OC)C12CCC2 ZINC000184237391 1430860521 /nfs/dbraw/zinc/86/05/21/1430860521.db2.gz CDRZDQGMYBOVBL-OALUTQOASA-N 0 1 381.538 3.139 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CCCS(=O)(=O)c2ccccc2OC)C12CCC2 ZINC000184237406 1430860629 /nfs/dbraw/zinc/86/06/29/1430860629.db2.gz CDRZDQGMYBOVBL-RTBURBONSA-N 0 1 381.538 3.139 20 0 GGADMN Cc1cc(NC(=O)NNC(=O)c2cc3ccccc3o2)cnc1Br ZINC000184250860 1430862556 /nfs/dbraw/zinc/86/25/56/1430862556.db2.gz LIQHECMIDUJMLS-UHFFFAOYSA-N 0 1 389.209 3.365 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1C[S@](C)=O ZINC000184255284 1430863034 /nfs/dbraw/zinc/86/30/34/1430863034.db2.gz XJUUNTUIWMMWBT-MHZLTWQESA-N 0 1 391.512 3.300 20 0 GGADMN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184261304 1430864014 /nfs/dbraw/zinc/86/40/14/1430864014.db2.gz CMBYSZRZMYSORW-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cc1 ZINC000184262041 1430864288 /nfs/dbraw/zinc/86/42/88/1430864288.db2.gz FBKBGMJLROXGKV-MRXNPFEDSA-N 0 1 388.537 3.173 20 0 GGADMN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000184273954 1430865957 /nfs/dbraw/zinc/86/59/57/1430865957.db2.gz ZNKHNQNUNZTQIN-UHFFFAOYSA-N 0 1 397.516 3.102 20 0 GGADMN C[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)c1ccc(Cl)c2ccccc21 ZINC000184288587 1430868673 /nfs/dbraw/zinc/86/86/73/1430868673.db2.gz MBRZZHRRDUYPTP-GFCCVEGCSA-N 0 1 394.866 3.473 20 0 GGADMN COc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1OC(C)C ZINC000184314060 1430872351 /nfs/dbraw/zinc/87/23/51/1430872351.db2.gz XTSOOWDEDDTUMO-UHFFFAOYSA-N 0 1 398.507 3.028 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1oc2ccc(OC)cc2c1C)C(=O)OC ZINC000184328574 1430873632 /nfs/dbraw/zinc/87/36/32/1430873632.db2.gz NBCCEQIJVVNOGU-PTAUBWNISA-N 0 1 390.480 3.104 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1oc2ccc(OC)cc2c1C)C(=O)OC ZINC000184328540 1430873714 /nfs/dbraw/zinc/87/37/14/1430873714.db2.gz NBCCEQIJVVNOGU-PJFSTRORSA-N 0 1 390.480 3.104 20 0 GGADMN COc1ccc2oc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2c1 ZINC000184337293 1430874831 /nfs/dbraw/zinc/87/48/31/1430874831.db2.gz BLEPAUFPQIHHKQ-STQMWFEESA-N 0 1 375.469 3.413 20 0 GGADMN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cc(F)cc2nc[nH]c21 ZINC000184337929 1430874861 /nfs/dbraw/zinc/87/48/61/1430874861.db2.gz HDLLZHRHPSRFDM-UHFFFAOYSA-N 0 1 383.358 3.254 20 0 GGADMN COc1ccc2oc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2c1 ZINC000184337272 1430874866 /nfs/dbraw/zinc/87/48/66/1430874866.db2.gz BLEPAUFPQIHHKQ-OLZOCXBDSA-N 0 1 375.469 3.413 20 0 GGADMN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccccc2C[S@@](C)=O)c1 ZINC000184347678 1430876288 /nfs/dbraw/zinc/87/62/88/1430876288.db2.gz CKDTVPQZIVEDSH-HHHXNRCGSA-N 0 1 387.549 3.469 20 0 GGADMN C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000184363216 1430878563 /nfs/dbraw/zinc/87/85/63/1430878563.db2.gz BRNGSRZNEHUVKC-BETUJISGSA-N 0 1 384.879 3.146 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000184369520 1430879399 /nfs/dbraw/zinc/87/93/99/1430879399.db2.gz HMMFBUACRHEXSV-HHHXNRCGSA-N 0 1 391.512 3.300 20 0 GGADMN O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCN(C[C@H]2CCOC2)CC1 ZINC000184375769 1430880300 /nfs/dbraw/zinc/88/03/00/1430880300.db2.gz KRWZSGLWPVPCQY-GFCCVEGCSA-N 0 1 389.830 3.127 20 0 GGADMN O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCN(C2CCOCC2)CC1 ZINC000184394724 1430882625 /nfs/dbraw/zinc/88/26/25/1430882625.db2.gz UXWOTKHGMNIYEZ-UHFFFAOYSA-N 0 1 389.830 3.270 20 0 GGADMN CC(C)(C)c1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)n(-c2ccccn2)n1 ZINC000184395261 1430882698 /nfs/dbraw/zinc/88/26/98/1430882698.db2.gz NWMHETSHDNIRMD-MRXNPFEDSA-N 0 1 382.512 3.267 20 0 GGADMN CSc1c(F)cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1F ZINC000184403116 1430883617 /nfs/dbraw/zinc/88/36/17/1430883617.db2.gz KOEPPIQNHCYFGX-MRXNPFEDSA-N 0 1 386.512 3.080 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC000184417774 1430885579 /nfs/dbraw/zinc/88/55/79/1430885579.db2.gz XTHJSZCXYNIXSY-INIZCTEOSA-N 0 1 384.528 3.369 20 0 GGADMN Cc1c(-c2cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)on2)cnn1C ZINC000184422858 1430886209 /nfs/dbraw/zinc/88/62/09/1430886209.db2.gz SVYXTPCADZZERS-LJQANCHMSA-N 0 1 380.448 3.492 20 0 GGADMN Cc1c(-c2cc(CN(C)[C@@H](C)c3ccc(-n4cncn4)cc3)on2)cnn1C ZINC000184429724 1430886916 /nfs/dbraw/zinc/88/69/16/1430886916.db2.gz AUGRNDFKFOFGGU-AWEZNQCLSA-N 0 1 377.452 3.157 20 0 GGADMN C[C@H](NC[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184453154 1430889631 /nfs/dbraw/zinc/88/96/31/1430889631.db2.gz UKQVHCWCEWRNQD-ORAYPTAESA-N 0 1 396.578 3.402 20 0 GGADMN C[C@H](NC[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184453116 1430889669 /nfs/dbraw/zinc/88/96/69/1430889669.db2.gz UKQVHCWCEWRNQD-DJJJIMSYSA-N 0 1 396.578 3.402 20 0 GGADMN CCn1cc(C(=O)NC[C@H]2CCCCN2CC)c(=O)c2cc(Cl)ccc21 ZINC000184458838 1430890203 /nfs/dbraw/zinc/89/02/03/1430890203.db2.gz ZLSXHAMHNBEYOL-OAHLLOKOSA-N 0 1 375.900 3.279 20 0 GGADMN CCOc1cccc(NC(=O)NNC(=O)c2ccc(Br)s2)c1 ZINC000184464476 1430890696 /nfs/dbraw/zinc/89/06/96/1430890696.db2.gz WRNOKQHWVPOPLS-UHFFFAOYSA-N 0 1 384.255 3.376 20 0 GGADMN O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000184468510 1430891156 /nfs/dbraw/zinc/89/11/56/1430891156.db2.gz CFNZQKIOUYSCKY-UHFFFAOYSA-N 0 1 392.818 3.251 20 0 GGADMN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184473675 1430891665 /nfs/dbraw/zinc/89/16/65/1430891665.db2.gz QVEKYAYCLKBRAA-QGZVFWFLSA-N 0 1 378.432 3.164 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3sc(-c4ccccc4)nc3C)C2)CC1 ZINC000184475794 1430891920 /nfs/dbraw/zinc/89/19/20/1430891920.db2.gz ADMDSXMQZUGGAG-SFHVURJKSA-N 0 1 399.564 3.362 20 0 GGADMN COc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1N1CCCCC1=O ZINC000184480461 1430892383 /nfs/dbraw/zinc/89/23/83/1430892383.db2.gz PNZHOHIHRPPYTH-UHFFFAOYSA-N 0 1 391.431 3.250 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC(C)(CO)CC2)N2CCCCC2)cc1 ZINC000184480077 1430892418 /nfs/dbraw/zinc/89/24/18/1430892418.db2.gz ZZDLQECKBYXXAF-HXUWFJFHSA-N 0 1 389.540 3.026 20 0 GGADMN C[C@@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184483391 1430892990 /nfs/dbraw/zinc/89/29/90/1430892990.db2.gz QBOMLJXQHKKVFQ-DOMZBBRYSA-N 0 1 382.551 3.228 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184490138 1430893875 /nfs/dbraw/zinc/89/38/75/1430893875.db2.gz KGNJEJNAEQSFLF-CJNGLKHVSA-N 0 1 391.537 3.490 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cn1 ZINC000184493292 1430894339 /nfs/dbraw/zinc/89/43/39/1430894339.db2.gz BMIHNECAOJRBGH-RUZDIDTESA-N 0 1 396.534 3.328 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000184501127 1430895484 /nfs/dbraw/zinc/89/54/84/1430895484.db2.gz NGMGGXSXVLZQKC-LBPRGKRZSA-N 0 1 385.514 3.431 20 0 GGADMN CCCN(CCc1cccs1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000184506333 1430896150 /nfs/dbraw/zinc/89/61/50/1430896150.db2.gz RKTOOKZJWLAXSF-UHFFFAOYSA-N 0 1 387.549 3.478 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cc(F)cc(Cl)c1 ZINC000184516011 1430897269 /nfs/dbraw/zinc/89/72/69/1430897269.db2.gz RGHNNOPNIARALN-UHFFFAOYSA-N 0 1 375.791 3.498 20 0 GGADMN CCCc1c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cnn1-c1cccc(F)c1 ZINC000184523412 1430898128 /nfs/dbraw/zinc/89/81/28/1430898128.db2.gz GEAJQHUJKMDLLZ-GOSISDBHSA-N 0 1 383.471 3.442 20 0 GGADMN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000184537150 1430900395 /nfs/dbraw/zinc/90/03/95/1430900395.db2.gz RCEZPTNSAKQCEY-CQSZACIVSA-N 0 1 384.505 3.325 20 0 GGADMN CCn1cc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)ccc1=O ZINC000184541053 1430901277 /nfs/dbraw/zinc/90/12/77/1430901277.db2.gz TWWVCDQAHWSYCB-UHFFFAOYSA-N 0 1 390.852 3.203 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000184543974 1430901768 /nfs/dbraw/zinc/90/17/68/1430901768.db2.gz HFHZXLRFLAKJLR-HNNXBMFYSA-N 0 1 397.548 3.470 20 0 GGADMN CC(=O)c1ccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1C ZINC000184575587 1430907753 /nfs/dbraw/zinc/90/77/53/1430907753.db2.gz XCMIFWOVUDPIID-UHFFFAOYSA-N 0 1 379.420 3.216 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NNC(=O)[C@H](C)CC)cc2Cl)CC1 ZINC000184588585 1430910952 /nfs/dbraw/zinc/91/09/52/1430910952.db2.gz TUESALPPFRVPLT-CQSZACIVSA-N 0 1 395.935 3.071 20 0 GGADMN CC(=O)c1c(C)oc2ncnc(NCc3n[nH]c(COc4ccccc4)n3)c21 ZINC000184589409 1430911610 /nfs/dbraw/zinc/91/16/10/1430911610.db2.gz DVWKHVFURYSYQF-UHFFFAOYSA-N 0 1 378.392 3.043 20 0 GGADMN CCSc1cccc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c1 ZINC000184593478 1430912863 /nfs/dbraw/zinc/91/28/63/1430912863.db2.gz HFOQOTKQNTUTJF-SFHVURJKSA-N 0 1 395.488 3.406 20 0 GGADMN Cn1cc([C@H](NCCCOc2ccc3c(c2)OCO3)c2ccc(F)cc2)cn1 ZINC000184606836 1430917307 /nfs/dbraw/zinc/91/73/07/1430917307.db2.gz UVXUQIGXVIAJOU-OAQYLSRUSA-N 0 1 383.423 3.436 20 0 GGADMN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184620422 1430921525 /nfs/dbraw/zinc/92/15/25/1430921525.db2.gz QXRPSLQEHCDXEO-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@H](C)O1 ZINC000184619883 1430921747 /nfs/dbraw/zinc/92/17/47/1430921747.db2.gz MUDAKDGWOLJHDP-GASCZTMLSA-N 0 1 391.512 3.107 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)cc2F)C[C@H](C)O1 ZINC000184622194 1430921904 /nfs/dbraw/zinc/92/19/04/1430921904.db2.gz MGTOMOMMQYFGBQ-KBPBESRZSA-N 0 1 395.438 3.477 20 0 GGADMN CC[C@@]1(C)NC(=O)N(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1=O ZINC000184629786 1430923844 /nfs/dbraw/zinc/92/38/44/1430923844.db2.gz RUSAJYIYDBFIOW-QGZVFWFLSA-N 0 1 392.868 3.137 20 0 GGADMN C[C@H](c1nccs1)N1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000184641714 1430927999 /nfs/dbraw/zinc/92/79/99/1430927999.db2.gz MWHBEZMKRSGDRM-SJORKVTESA-N 0 1 394.585 3.469 20 0 GGADMN C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000184643512 1430928439 /nfs/dbraw/zinc/92/84/39/1430928439.db2.gz COXRADLUYCEVFD-ZDUSSCGKSA-N 0 1 384.411 3.424 20 0 GGADMN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1c(O)cccc1F ZINC000184645602 1430928768 /nfs/dbraw/zinc/92/87/68/1430928768.db2.gz PVUCGJYRYXHHOS-UHFFFAOYSA-N 0 1 388.367 3.212 20 0 GGADMN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184645154 1430928979 /nfs/dbraw/zinc/92/89/79/1430928979.db2.gz XUUVZXGRLPFSIY-UHFFFAOYSA-N 0 1 376.338 3.299 20 0 GGADMN Cc1c(-c2cc(CN3CCC(C(=O)Nc4ccc(F)cc4)CC3)on2)cnn1C ZINC000184647410 1430929113 /nfs/dbraw/zinc/92/91/13/1430929113.db2.gz SJGCQCROIMFRBW-UHFFFAOYSA-N 0 1 397.454 3.373 20 0 GGADMN COc1ccc(NC(=O)CCCCc2cn[nH]n2)cc1OCc1cccnc1 ZINC000184647810 1430929555 /nfs/dbraw/zinc/92/95/55/1430929555.db2.gz AEPTTXRSOZDKRW-UHFFFAOYSA-N 0 1 381.436 3.139 20 0 GGADMN C[C@H](OC(=O)CNC(=O)c1ccc(F)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000184662937 1430934176 /nfs/dbraw/zinc/93/41/76/1430934176.db2.gz RWRLMEIIKMHCNN-JTQLQIEISA-N 0 1 375.787 3.390 20 0 GGADMN Cc1nscc1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000184664017 1430934576 /nfs/dbraw/zinc/93/45/76/1430934576.db2.gz QKCALTIFGQEKNO-UHFFFAOYSA-N 0 1 393.266 3.280 20 0 GGADMN Cc1nscc1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000184664017 1430934581 /nfs/dbraw/zinc/93/45/81/1430934581.db2.gz QKCALTIFGQEKNO-UHFFFAOYSA-N 0 1 393.266 3.280 20 0 GGADMN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184693993 1430944138 /nfs/dbraw/zinc/94/41/38/1430944138.db2.gz NJVNVEYBMBKERQ-UHFFFAOYSA-N 0 1 375.432 3.396 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000184705036 1430947119 /nfs/dbraw/zinc/94/71/19/1430947119.db2.gz FHMHZDREGOLMSF-KNQAVFIVSA-N 0 1 381.476 3.258 20 0 GGADMN Cc1cccc2c1N(C1CC1)CCN2C(=O)CSc1n[nH]c(=S)s1 ZINC000184713846 1430949991 /nfs/dbraw/zinc/94/99/91/1430949991.db2.gz SNOGTUVLTXKZTO-UHFFFAOYSA-N 0 1 378.548 3.243 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)C[C@@H](C)c2nccs2)N(C)C)c1 ZINC000184715633 1430950658 /nfs/dbraw/zinc/95/06/58/1430950658.db2.gz PMGNTINPEZHWBE-RHSMWYFYSA-N 0 1 376.526 3.200 20 0 GGADMN Cc1c(-c2cc(CN[C@H](C)c3cccc(N4CCOC4=O)c3)on2)cnn1C ZINC000184721708 1430953667 /nfs/dbraw/zinc/95/36/67/1430953667.db2.gz YYISYNUFLYCNJZ-CYBMUJFWSA-N 0 1 381.436 3.191 20 0 GGADMN CCOc1c(Cl)cc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OC ZINC000184722401 1430953797 /nfs/dbraw/zinc/95/37/97/1430953797.db2.gz GQXLLROGPKCTOC-UHFFFAOYSA-N 0 1 386.839 3.462 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000184729064 1430955769 /nfs/dbraw/zinc/95/57/69/1430955769.db2.gz WYXPNGXUQMPEST-UHFFFAOYSA-N 0 1 389.887 3.436 20 0 GGADMN Cc1c(-c2cc(CN[C@H](c3ccc4c(c3)OCCO4)C3CC3)on2)cnn1C ZINC000184736209 1430958642 /nfs/dbraw/zinc/95/86/42/1430958642.db2.gz USDCCXJZKFNIDR-NRFANRHFSA-N 0 1 380.448 3.396 20 0 GGADMN CC(=O)CCCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000184738340 1430959398 /nfs/dbraw/zinc/95/93/98/1430959398.db2.gz GNTBJMKFBHUQTO-UHFFFAOYSA-N 0 1 394.519 3.144 20 0 GGADMN CCOc1ccc(CCNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OCC ZINC000184739506 1430959910 /nfs/dbraw/zinc/95/99/10/1430959910.db2.gz WLECLDHUDRDGHC-UHFFFAOYSA-N 0 1 380.448 3.242 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)[nH]n1 ZINC000184740952 1430961257 /nfs/dbraw/zinc/96/12/57/1430961257.db2.gz XSZYATOUVMUVLC-UHFFFAOYSA-N 0 1 390.491 3.365 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000184744562 1430962959 /nfs/dbraw/zinc/96/29/59/1430962959.db2.gz HZLGTTSWOJEHCN-JXFKEZNVSA-N 0 1 397.544 3.374 20 0 GGADMN O=C(CNC(=O)c1ccc(-c2nnc[nH]2)cc1)Nc1cc(Cl)ccc1Cl ZINC000184749872 1430964828 /nfs/dbraw/zinc/96/48/28/1430964828.db2.gz DXZRIUDWNHSOLN-UHFFFAOYSA-N 0 1 390.230 3.147 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)c2C1 ZINC000184752718 1430966234 /nfs/dbraw/zinc/96/62/34/1430966234.db2.gz MVIBFZSSHYAVDY-KLHJMIIUSA-N 0 1 399.535 3.059 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000184755972 1430967185 /nfs/dbraw/zinc/96/71/85/1430967185.db2.gz ILSUFZXFBZKEKJ-UHFFFAOYSA-N 0 1 378.432 3.480 20 0 GGADMN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000184756106 1430967838 /nfs/dbraw/zinc/96/78/38/1430967838.db2.gz FFJXTCXXUJXADF-KDOFPFPSSA-N 0 1 394.500 3.080 20 0 GGADMN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000184756072 1430967906 /nfs/dbraw/zinc/96/79/06/1430967906.db2.gz FFJXTCXXUJXADF-RDTXWAMCSA-N 0 1 394.500 3.080 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184757788 1430968073 /nfs/dbraw/zinc/96/80/73/1430968073.db2.gz ZFKOPBYPBHJXAQ-IRXDYDNUSA-N 0 1 389.421 3.383 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000184756800 1430968206 /nfs/dbraw/zinc/96/82/06/1430968206.db2.gz PFLZRTYDCWGWJB-OAHLLOKOSA-N 0 1 395.931 3.288 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1nc(C)c(C)nc1C)N1CCCCC1 ZINC000184783407 1430976809 /nfs/dbraw/zinc/97/68/09/1430976809.db2.gz GNEILRYOGQGSGX-LJQANCHMSA-N 0 1 382.508 3.367 20 0 GGADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)N3CCO[C@H](C)C3)s2)cc1 ZINC000184785894 1430977207 /nfs/dbraw/zinc/97/72/07/1430977207.db2.gz MEJICYUAXFVZAD-ZIAGYGMSSA-N 0 1 389.521 3.025 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)N3CCO[C@H](C)C3)s2)cc1 ZINC000184785917 1430977317 /nfs/dbraw/zinc/97/73/17/1430977317.db2.gz MEJICYUAXFVZAD-KGLIPLIRSA-N 0 1 389.521 3.025 20 0 GGADMN O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccc(-n2ccnn2)cc1 ZINC000184788736 1430977645 /nfs/dbraw/zinc/97/76/45/1430977645.db2.gz XBZSSFZZVJFPCZ-UHFFFAOYSA-N 0 1 391.218 3.041 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(OC(F)F)n(C)n4)C3)[nH]c2c1 ZINC000184790890 1430978255 /nfs/dbraw/zinc/97/82/55/1430978255.db2.gz JXDUFGDQINOJOT-GFCCVEGCSA-N 0 1 389.406 3.226 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)NC3CCOCC3)s2)cc1 ZINC000184792614 1430979124 /nfs/dbraw/zinc/97/91/24/1430979124.db2.gz SUDBNXJVBPTISP-ZDUSSCGKSA-N 0 1 389.521 3.073 20 0 GGADMN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000184803255 1430982541 /nfs/dbraw/zinc/98/25/41/1430982541.db2.gz BTRXIFLCYJGYRF-KEYYUXOJSA-N 0 1 387.446 3.253 20 0 GGADMN CC(C)OCCNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000184805363 1430983246 /nfs/dbraw/zinc/98/32/46/1430983246.db2.gz OPZJSDHHXHBOPQ-UHFFFAOYSA-N 0 1 390.528 3.438 20 0 GGADMN CCc1ccc([C@H](COC)NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)o1 ZINC000184812199 1430984942 /nfs/dbraw/zinc/98/49/42/1430984942.db2.gz VWNWSBNQHBNXOL-IBGZPJMESA-N 0 1 399.491 3.275 20 0 GGADMN O=C(CCC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000184813586 1430985518 /nfs/dbraw/zinc/98/55/18/1430985518.db2.gz LRKRKVBTJGTGER-UHFFFAOYSA-N 0 1 395.507 3.117 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)CC1 ZINC000184815654 1430986782 /nfs/dbraw/zinc/98/67/82/1430986782.db2.gz XCWGCUDTBLOUQE-UHFFFAOYSA-N 0 1 380.423 3.485 20 0 GGADMN C[C@H](Oc1cccnc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184828911 1430993996 /nfs/dbraw/zinc/99/39/96/1430993996.db2.gz JNQGZIHSMDKCOB-GUYCJALGSA-N 0 1 381.398 3.287 20 0 GGADMN Cc1c(CCC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cnn1C ZINC000184828671 1430994235 /nfs/dbraw/zinc/99/42/35/1430994235.db2.gz MCTJLVNVHACLKQ-KRWDZBQOSA-N 0 1 382.430 3.099 20 0 GGADMN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000184831436 1430995660 /nfs/dbraw/zinc/99/56/60/1430995660.db2.gz ZIAQJFAJYPKXLG-BPNCWPANSA-N 0 1 382.386 3.450 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(C(N)=S)cc1)c1cccc(C(F)(F)F)c1 ZINC000184831953 1430995719 /nfs/dbraw/zinc/99/57/19/1430995719.db2.gz SMLSORLXHXPVRA-INIZCTEOSA-N 0 1 395.450 3.372 20 0 GGADMN Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184838700 1430999197 /nfs/dbraw/zinc/99/91/97/1430999197.db2.gz UJLMFHSGUKTJFQ-KRWDZBQOSA-N 0 1 382.430 3.017 20 0 GGADMN O=C(NCc1ccccc1OCC(F)(F)F)c1ccc(-c2nnc[nH]2)cc1 ZINC000184850166 1431002961 /nfs/dbraw/zinc/00/29/61/1431002961.db2.gz QVFQOOYTSQOQEZ-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)n2)C1 ZINC000184861057 1431005843 /nfs/dbraw/zinc/00/58/43/1431005843.db2.gz VGLPTEFTBMIUJE-CYBMUJFWSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)n2)C1 ZINC000184861082 1431005987 /nfs/dbraw/zinc/00/59/87/1431005987.db2.gz VGLPTEFTBMIUJE-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCCCc2cn[nH]n2)cc1 ZINC000184877025 1431009730 /nfs/dbraw/zinc/00/97/30/1431009730.db2.gz BVLFISBJAYVQBP-OAHLLOKOSA-N 0 1 386.500 3.269 20 0 GGADMN COC(=O)[C@@H](C)Cc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000184876020 1431009777 /nfs/dbraw/zinc/00/97/77/1431009777.db2.gz CPKZUNGSWFELRN-KRWDZBQOSA-N 0 1 395.503 3.218 20 0 GGADMN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1C ZINC000184879365 1431010506 /nfs/dbraw/zinc/01/05/06/1431010506.db2.gz HQHYMOCZPIEDAB-UHFFFAOYSA-N 0 1 399.476 3.184 20 0 GGADMN O=C(NC[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1)Nc1cccc(F)c1 ZINC000184881011 1431011580 /nfs/dbraw/zinc/01/15/80/1431011580.db2.gz DIHOQCXFHQXHAY-ZDUSSCGKSA-N 0 1 389.402 3.344 20 0 GGADMN CCCOc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184892504 1431014478 /nfs/dbraw/zinc/01/44/78/1431014478.db2.gz JKCCRHYVIHLIKN-UHFFFAOYSA-N 0 1 386.473 3.112 20 0 GGADMN CCOc1cc(C)ccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184894454 1431015250 /nfs/dbraw/zinc/01/52/50/1431015250.db2.gz WZZSAVQQBWPLFG-UHFFFAOYSA-N 0 1 386.473 3.030 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc(-n3cncn3)c(C)c2)CCN1Cc1ccccc1 ZINC000184919480 1431021028 /nfs/dbraw/zinc/02/10/28/1431021028.db2.gz SEHABQXXRGYJIY-NRFANRHFSA-N 0 1 389.503 3.312 20 0 GGADMN Cc1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1C ZINC000184919274 1431021078 /nfs/dbraw/zinc/02/10/78/1431021078.db2.gz PVFHWLUSEMCLGC-GASCZTMLSA-N 0 1 396.553 3.038 20 0 GGADMN CC[C@@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)CCN1Cc1ccccc1 ZINC000184918553 1431021096 /nfs/dbraw/zinc/02/10/96/1431021096.db2.gz AIPCHVOCBDDRDN-OAQYLSRUSA-N 0 1 389.499 3.194 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CCN1Cc1ccccc1 ZINC000184920248 1431021550 /nfs/dbraw/zinc/02/15/50/1431021550.db2.gz MPJCVTNXILOINX-SFHVURJKSA-N 0 1 391.471 3.372 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cnc(Cc3ccccc3F)s2)C[C@H](C)O1 ZINC000184925018 1431022813 /nfs/dbraw/zinc/02/28/13/1431022813.db2.gz BJSMJJOUHROLOL-GJZGRUSLSA-N 0 1 391.512 3.102 20 0 GGADMN CC(C)N1CCCC[C@@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000184933977 1431025236 /nfs/dbraw/zinc/02/52/36/1431025236.db2.gz XAJSNNMGSPENBB-LJQANCHMSA-N 0 1 379.932 3.374 20 0 GGADMN O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000184936928 1431026294 /nfs/dbraw/zinc/02/62/94/1431026294.db2.gz OTUNIDKUMQSTSO-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN O=C(Nc1cc(-c2ccc(Cl)cc2)nn1CCO)c1c(O)cccc1F ZINC000184938999 1431026674 /nfs/dbraw/zinc/02/66/74/1431026674.db2.gz ZOTKGRNGMJUYDY-UHFFFAOYSA-N 0 1 375.787 3.293 20 0 GGADMN CN1CCCc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)cc21 ZINC000184964276 1431032234 /nfs/dbraw/zinc/03/22/34/1431032234.db2.gz FKBHGHCWPDNDKD-UHFFFAOYSA-N 0 1 398.444 3.326 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](Cc1ccccc1)c1cccs1)C(=O)N1CCCCC1 ZINC000184972036 1431033607 /nfs/dbraw/zinc/03/36/07/1431033607.db2.gz CJJGNBROIIUHOX-MJGOQNOKSA-N 0 1 399.560 3.139 20 0 GGADMN CC(C)C[C@H]1OCCC[C@H]1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000184980917 1431035473 /nfs/dbraw/zinc/03/54/73/1431035473.db2.gz GJABCIMLXWEZSZ-IOMROCGXSA-N 0 1 388.556 3.500 20 0 GGADMN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184984008 1431036484 /nfs/dbraw/zinc/03/64/84/1431036484.db2.gz FMHHSUNZPDNDMQ-CYBMUJFWSA-N 0 1 398.417 3.166 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000184995895 1431037861 /nfs/dbraw/zinc/03/78/61/1431037861.db2.gz RUGDCLDUNVQQHL-GOSISDBHSA-N 0 1 383.517 3.192 20 0 GGADMN Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1NC(=O)CC[NH+](C)C ZINC000185028287 1431044726 /nfs/dbraw/zinc/04/47/26/1431044726.db2.gz ZZSBKFNYGKGDRQ-UHFFFAOYSA-N 0 1 393.484 3.134 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2ccc([S@](C)=O)cc2)CCN1Cc1ccccc1 ZINC000185033100 1431045588 /nfs/dbraw/zinc/04/55/88/1431045588.db2.gz VXAFBWGIQTYVNM-MMTVBGGISA-N 0 1 399.560 3.230 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)n[nH]2)c1 ZINC000185062955 1431052041 /nfs/dbraw/zinc/05/20/41/1431052041.db2.gz LHDZWCOMTIVISZ-QFIPXVFZSA-N 0 1 375.428 3.357 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)n[nH]2)c1 ZINC000185062936 1431052077 /nfs/dbraw/zinc/05/20/77/1431052077.db2.gz LHDZWCOMTIVISZ-JOCHJYFZSA-N 0 1 375.428 3.357 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc(Cn3cccn3)c2)cc1 ZINC000185094012 1431059359 /nfs/dbraw/zinc/05/93/59/1431059359.db2.gz ZJEFNKZKVQEABN-SFHVURJKSA-N 0 1 383.517 3.192 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(-c2nc[nH]n2)cc1 ZINC000185097434 1431060271 /nfs/dbraw/zinc/06/02/71/1431060271.db2.gz LZDYJJRPYJLDEH-UHFFFAOYSA-N 0 1 379.489 3.273 20 0 GGADMN CC1(C)Cc2cccc(CNCc3cccc(N4CCCS4(=O)=O)c3)c2O1 ZINC000185100123 1431061339 /nfs/dbraw/zinc/06/13/39/1431061339.db2.gz GFODDLPYEURIIQ-UHFFFAOYSA-N 0 1 386.517 3.230 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H](c1ccccc1)C1CC1 ZINC000185101084 1431061511 /nfs/dbraw/zinc/06/15/11/1431061511.db2.gz QRSWVLSHDYXJFP-HXUWFJFHSA-N 0 1 377.448 3.334 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000185113517 1431063856 /nfs/dbraw/zinc/06/38/56/1431063856.db2.gz JAQFULBTULXBLQ-AZUAARDMSA-N 0 1 392.613 3.047 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000185113503 1431063903 /nfs/dbraw/zinc/06/39/03/1431063903.db2.gz JAQFULBTULXBLQ-UYAOXDASSA-N 0 1 392.613 3.047 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC(C)(C)c1cccc(Cl)c1F)N1CCN(C)CC1 ZINC000185113112 1431063968 /nfs/dbraw/zinc/06/39/68/1431063968.db2.gz PSGHJUFQIMVAMB-QGZVFWFLSA-N 0 1 398.954 3.285 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000185122040 1431065732 /nfs/dbraw/zinc/06/57/32/1431065732.db2.gz MKBVPBLCCLSDIZ-FNAHDJPLSA-N 0 1 385.529 3.328 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000185122090 1431065878 /nfs/dbraw/zinc/06/58/78/1431065878.db2.gz MKBVPBLCCLSDIZ-CLAROIROSA-N 0 1 385.529 3.328 20 0 GGADMN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185124017 1431066430 /nfs/dbraw/zinc/06/64/30/1431066430.db2.gz HMWJXFHOYNDMLE-UHFFFAOYSA-N 0 1 375.432 3.268 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000185127352 1431067168 /nfs/dbraw/zinc/06/71/68/1431067168.db2.gz AHMNLHCERNKERK-FZMZJTMJSA-N 0 1 384.245 3.384 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000185127406 1431067107 /nfs/dbraw/zinc/06/71/07/1431067107.db2.gz AHMNLHCERNKERK-BXUZGUMPSA-N 0 1 384.245 3.384 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000185127388 1431067369 /nfs/dbraw/zinc/06/73/69/1431067369.db2.gz AHMNLHCERNKERK-SMDDNHRTSA-N 0 1 384.245 3.384 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000185134476 1431069074 /nfs/dbraw/zinc/06/90/74/1431069074.db2.gz CUXRQLYJWPBZIY-INIZCTEOSA-N 0 1 387.480 3.272 20 0 GGADMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185141978 1431071140 /nfs/dbraw/zinc/07/11/40/1431071140.db2.gz AARORFNRGUTNQA-MRXNPFEDSA-N 0 1 394.581 3.368 20 0 GGADMN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1ccccc1OC(F)F ZINC000185141174 1431071305 /nfs/dbraw/zinc/07/13/05/1431071305.db2.gz RLMABYCMPKMTGB-UHFFFAOYSA-N 0 1 383.351 3.414 20 0 GGADMN CCCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000185144163 1431071657 /nfs/dbraw/zinc/07/16/57/1431071657.db2.gz XNBJVBPRUZBKMP-HNNXBMFYSA-N 0 1 377.448 3.351 20 0 GGADMN CCCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000185144184 1431071712 /nfs/dbraw/zinc/07/17/12/1431071712.db2.gz XNBJVBPRUZBKMP-OAHLLOKOSA-N 0 1 377.448 3.351 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000185147009 1431072254 /nfs/dbraw/zinc/07/22/54/1431072254.db2.gz GYOAMNBSHIUMJL-UHFFFAOYSA-N 0 1 383.517 3.362 20 0 GGADMN COc1ccc(Cn2ncc(C)c2NC(=O)c2c(O)cccc2F)cc1OC ZINC000185146952 1431072394 /nfs/dbraw/zinc/07/23/94/1431072394.db2.gz UHJZBFLPQNILEY-UHFFFAOYSA-N 0 1 385.395 3.354 20 0 GGADMN O=C([C@H](Cc1ccccc1)NCc1cnc(C2CCCC2)s1)N1CCOCC1 ZINC000185156434 1431073796 /nfs/dbraw/zinc/07/37/96/1431073796.db2.gz RYRBYACWPJTBCN-FQEVSTJZSA-N 0 1 399.560 3.360 20 0 GGADMN CN(C)c1ccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)cc1Cl ZINC000185168659 1431076470 /nfs/dbraw/zinc/07/64/70/1431076470.db2.gz YDEVLTIXYHEWPG-UHFFFAOYSA-N 0 1 383.839 3.421 20 0 GGADMN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185181071 1431078640 /nfs/dbraw/zinc/07/86/40/1431078640.db2.gz PVAXFTBAPLGOIO-LBPRGKRZSA-N 0 1 393.281 3.130 20 0 GGADMN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc1 ZINC000185181085 1431078754 /nfs/dbraw/zinc/07/87/54/1431078754.db2.gz PVAXFTBAPLGOIO-GFCCVEGCSA-N 0 1 393.281 3.130 20 0 GGADMN O=C(NCCc1ccc(Cl)s1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185183511 1431079038 /nfs/dbraw/zinc/07/90/38/1431079038.db2.gz KUOFXHBKXNIADZ-UHFFFAOYSA-N 0 1 391.884 3.141 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)O[C@H]3CCN(CC(F)(F)F)C3)[nH]2)c1 ZINC000185187929 1431080383 /nfs/dbraw/zinc/08/03/83/1431080383.db2.gz NDFRMMHMMIZFIA-AWEZNQCLSA-N 0 1 383.370 3.187 20 0 GGADMN O=C1OCCN1c1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185189993 1431080708 /nfs/dbraw/zinc/08/07/08/1431080708.db2.gz KZJCMJLWKCHXAF-UHFFFAOYSA-N 0 1 375.381 3.064 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H](C)c3cn(C)c4ccccc34)n2)cc1 ZINC000185193499 1431081809 /nfs/dbraw/zinc/08/18/09/1431081809.db2.gz ZWBLODKIPLMWSC-AWEZNQCLSA-N 0 1 389.459 3.392 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H](C)c3cn(C)c4ccccc34)n[nH]2)cc1 ZINC000185193499 1431081814 /nfs/dbraw/zinc/08/18/14/1431081814.db2.gz ZWBLODKIPLMWSC-AWEZNQCLSA-N 0 1 389.459 3.392 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1nc2ccccc2s1)C1CC1 ZINC000185205773 1431084557 /nfs/dbraw/zinc/08/45/57/1431084557.db2.gz WRYAGVWWJDFINY-CQSZACIVSA-N 0 1 390.509 3.128 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1cn(C)c2ccccc12 ZINC000185211141 1431085790 /nfs/dbraw/zinc/08/57/90/1431085790.db2.gz OVGSNQPTHNOAFB-MRXNPFEDSA-N 0 1 377.492 3.067 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1F ZINC000185215540 1431087061 /nfs/dbraw/zinc/08/70/61/1431087061.db2.gz VBTHVCUXYBBOCK-UHFFFAOYSA-N 0 1 382.388 3.272 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000185216749 1431087434 /nfs/dbraw/zinc/08/74/34/1431087434.db2.gz LQDYHEPVAYPZPS-INIZCTEOSA-N 0 1 392.887 3.043 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185218263 1431087721 /nfs/dbraw/zinc/08/77/21/1431087721.db2.gz OTELCIAPZGQEHE-NSHDSACASA-N 0 1 391.424 3.081 20 0 GGADMN COCc1c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cnn1-c1ccccc1 ZINC000185229946 1431090116 /nfs/dbraw/zinc/09/01/16/1431090116.db2.gz DGTZWFNDKODWHC-HXUWFJFHSA-N 0 1 396.466 3.191 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185233957 1431090479 /nfs/dbraw/zinc/09/04/79/1431090479.db2.gz DXXUCTQPTATKHB-MRXNPFEDSA-N 0 1 397.866 3.142 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000185235145 1431091119 /nfs/dbraw/zinc/09/11/19/1431091119.db2.gz ZBOGIHBFVNNKET-UHFFFAOYSA-N 0 1 376.844 3.357 20 0 GGADMN O=[N+]([O-])c1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)cc1Cl ZINC000185241913 1431092309 /nfs/dbraw/zinc/09/23/09/1431092309.db2.gz GGUFBBICPMIXDM-UHFFFAOYSA-N 0 1 395.809 3.335 20 0 GGADMN COc1ccc(C[C@@H](C)CN2CCN(Cc3nc(C)c(C)o3)CC2)cc1F ZINC000185245741 1431092812 /nfs/dbraw/zinc/09/28/12/1431092812.db2.gz MHTSXGDVWRXBBC-OAHLLOKOSA-N 0 1 375.488 3.436 20 0 GGADMN COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185249573 1431093484 /nfs/dbraw/zinc/09/34/84/1431093484.db2.gz ZLWLEBKHQCXBMM-UHFFFAOYSA-N 0 1 391.424 3.306 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1c[nH]c2cccc(F)c21 ZINC000185252816 1431094516 /nfs/dbraw/zinc/09/45/16/1431094516.db2.gz NNBFACIXMZLLFK-CQSZACIVSA-N 0 1 376.409 3.276 20 0 GGADMN O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000185259032 1431095509 /nfs/dbraw/zinc/09/55/09/1431095509.db2.gz LDBTXGSLHPKRHQ-INIZCTEOSA-N 0 1 380.423 3.427 20 0 GGADMN Cc1ccc(N2CCOC2=O)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185259263 1431095603 /nfs/dbraw/zinc/09/56/03/1431095603.db2.gz HVAUSFGGONKZOC-UHFFFAOYSA-N 0 1 389.408 3.373 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1N1CCOC1=O ZINC000185259860 1431095834 /nfs/dbraw/zinc/09/58/34/1431095834.db2.gz OADXPLDMGRRHGU-UHFFFAOYSA-N 0 1 389.408 3.373 20 0 GGADMN O=[N+]([O-])c1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)cc1Cl ZINC000185268629 1431097250 /nfs/dbraw/zinc/09/72/50/1431097250.db2.gz QARRTYNCPRCFPE-GOSISDBHSA-N 0 1 375.856 3.411 20 0 GGADMN CN(C)C(=O)COc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000185276128 1431098245 /nfs/dbraw/zinc/09/82/45/1431098245.db2.gz MLAKRDCUVTYQDO-UHFFFAOYSA-N 0 1 377.828 3.005 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cccc(C(F)(F)F)n1 ZINC000185277314 1431098474 /nfs/dbraw/zinc/09/84/74/1431098474.db2.gz OAHKFCDWZSZMAU-UHFFFAOYSA-N 0 1 392.341 3.119 20 0 GGADMN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185276937 1431098621 /nfs/dbraw/zinc/09/86/21/1431098621.db2.gz USXBIOMMJWVNSW-GFCCVEGCSA-N 0 1 397.884 3.349 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000185280326 1431099091 /nfs/dbraw/zinc/09/90/91/1431099091.db2.gz FHWCBPXTJWHJJV-NSHDSACASA-N 0 1 383.857 3.007 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)cc12 ZINC000185285284 1431099562 /nfs/dbraw/zinc/09/95/62/1431099562.db2.gz HJTVDBWFYZLSGK-UYAOXDASSA-N 0 1 377.444 3.241 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185291825 1431101491 /nfs/dbraw/zinc/10/14/91/1431101491.db2.gz XKMDDUKAEYUBGI-OAHLLOKOSA-N 0 1 387.505 3.036 20 0 GGADMN COC(=O)Nc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1F ZINC000185292476 1431102225 /nfs/dbraw/zinc/10/22/25/1431102225.db2.gz XQAKOTRMXUCXHC-UHFFFAOYSA-N 0 1 381.360 3.425 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000185298016 1431104294 /nfs/dbraw/zinc/10/42/94/1431104294.db2.gz MAJRVOGDZXQDSI-ZDUSSCGKSA-N 0 1 380.897 3.436 20 0 GGADMN CCc1noc(-c2ccc(CCNC(=O)c3ccc(-c4nnc[nH]4)cc3)cc2)n1 ZINC000185311551 1431109579 /nfs/dbraw/zinc/10/95/79/1431109579.db2.gz YSPOYFHQFCAQPC-UHFFFAOYSA-N 0 1 388.431 3.057 20 0 GGADMN C[C@@H](Cc1noc(-c2ccc(-c3nnc[nH]3)cc2)n1)N(C)C(=O)OC(C)(C)C ZINC000185314554 1431110340 /nfs/dbraw/zinc/11/03/40/1431110340.db2.gz YOYJDQCPFKGQST-LBPRGKRZSA-N 0 1 384.440 3.320 20 0 GGADMN C[C@@H](NC(=O)N1CCCC[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327646 1431115669 /nfs/dbraw/zinc/11/56/69/1431115669.db2.gz GIZIDGUNMNCLSC-IAGOWNOFSA-N 0 1 376.520 3.470 20 0 GGADMN C[C@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000185327822 1431116096 /nfs/dbraw/zinc/11/60/96/1431116096.db2.gz PLDRXIPDPDIPMO-GOSISDBHSA-N 0 1 393.597 3.039 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Cc3cc(F)ccc3OC)CC2)cc1 ZINC000185328639 1431116453 /nfs/dbraw/zinc/11/64/53/1431116453.db2.gz UVSUPSLQBILZIR-UHFFFAOYSA-N 0 1 386.467 3.120 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCN1Cc1ccccc1 ZINC000185331493 1431117048 /nfs/dbraw/zinc/11/70/48/1431117048.db2.gz KMBWEYPTXZCIRR-FQEVSTJZSA-N 0 1 377.488 3.308 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000185334788 1431117775 /nfs/dbraw/zinc/11/77/75/1431117775.db2.gz GQLTYIUNWLYACT-IBGZPJMESA-N 0 1 375.472 3.265 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CCN1Cc1ccccc1 ZINC000185334788 1431117782 /nfs/dbraw/zinc/11/77/82/1431117782.db2.gz GQLTYIUNWLYACT-IBGZPJMESA-N 0 1 375.472 3.265 20 0 GGADMN CC[C@@H](Cc1ccccc1)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185335581 1431118417 /nfs/dbraw/zinc/11/84/17/1431118417.db2.gz FYDPOWBDKWUSLC-KRWDZBQOSA-N 0 1 379.464 3.204 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3nc(C)c(C)nc3C)CCN2C2CC2)c1 ZINC000185336946 1431118650 /nfs/dbraw/zinc/11/86/50/1431118650.db2.gz IZHMZOYXOKAPCE-PZJWPPBQSA-N 0 1 380.492 3.118 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccccc2Cn2cncn2)CCN1Cc1ccccc1 ZINC000185336837 1431118722 /nfs/dbraw/zinc/11/87/22/1431118722.db2.gz WEBZHTQJMNERGR-NRFANRHFSA-N 0 1 389.503 3.063 20 0 GGADMN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000185342587 1431120554 /nfs/dbraw/zinc/12/05/54/1431120554.db2.gz WDDVWEZHUQJXTM-IFXJQAMLSA-N 0 1 392.421 3.225 20 0 GGADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cnc2ccsc2c1 ZINC000185348212 1431122240 /nfs/dbraw/zinc/12/22/40/1431122240.db2.gz XBFPLYRFIFGYBP-JXFKEZNVSA-N 0 1 395.528 3.417 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185348984 1431122625 /nfs/dbraw/zinc/12/26/25/1431122625.db2.gz HZOJWWHLVHIUBR-HNAYVOBHSA-N 0 1 388.895 3.166 20 0 GGADMN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](CC)C2)C1 ZINC000185349419 1431122768 /nfs/dbraw/zinc/12/27/68/1431122768.db2.gz NTMPFAMTDKVSMC-NHCUHLMSSA-N 0 1 385.552 3.148 20 0 GGADMN CC[C@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)CCN1Cc1ccccc1 ZINC000185356408 1431124416 /nfs/dbraw/zinc/12/44/16/1431124416.db2.gz DQGXUZNDCGMULZ-SFHVURJKSA-N 0 1 394.475 3.385 20 0 GGADMN CC(C)(O)[C@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360222 1431125859 /nfs/dbraw/zinc/12/58/59/1431125859.db2.gz QCPVWJGAZMNIKA-QZTJIDSGSA-N 0 1 379.932 3.422 20 0 GGADMN CN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360315 1431125877 /nfs/dbraw/zinc/12/58/77/1431125877.db2.gz OALOERVXGQQDQI-LSDHHAIUSA-N 0 1 393.837 3.042 20 0 GGADMN CCCCO[C@@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185381756 1431131050 /nfs/dbraw/zinc/13/10/50/1431131050.db2.gz VUJKNXGNFLBZBS-LBPRGKRZSA-N 0 1 396.285 3.406 20 0 GGADMN CCCCO[C@@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185381756 1431131045 /nfs/dbraw/zinc/13/10/45/1431131045.db2.gz VUJKNXGNFLBZBS-LBPRGKRZSA-N 0 1 396.285 3.406 20 0 GGADMN COCCC[C@@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382104 1431131151 /nfs/dbraw/zinc/13/11/51/1431131151.db2.gz OJKVSTRWCYVMBC-GFCCVEGCSA-N 0 1 396.285 3.264 20 0 GGADMN COCCC[C@@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382104 1431131155 /nfs/dbraw/zinc/13/11/55/1431131155.db2.gz OJKVSTRWCYVMBC-GFCCVEGCSA-N 0 1 396.285 3.264 20 0 GGADMN C[C@@H](OCC1CC1)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185381733 1431131308 /nfs/dbraw/zinc/13/13/08/1431131308.db2.gz AMDAJWNPQPGMEO-LLVKDONJSA-N 0 1 394.269 3.016 20 0 GGADMN C[C@@H](OCC1CC1)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185381733 1431131312 /nfs/dbraw/zinc/13/13/12/1431131312.db2.gz AMDAJWNPQPGMEO-LLVKDONJSA-N 0 1 394.269 3.016 20 0 GGADMN CC[C@H](C)OCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382792 1431131590 /nfs/dbraw/zinc/13/15/90/1431131590.db2.gz WTXOLCSOIKWWTI-NSHDSACASA-N 0 1 382.258 3.016 20 0 GGADMN CC[C@H](C)OCC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382792 1431131595 /nfs/dbraw/zinc/13/15/95/1431131595.db2.gz WTXOLCSOIKWWTI-NSHDSACASA-N 0 1 382.258 3.016 20 0 GGADMN CC[C@H](SC)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382522 1431131726 /nfs/dbraw/zinc/13/17/26/1431131726.db2.gz MTVQVPDCVNEORS-LBPRGKRZSA-N 0 1 384.299 3.343 20 0 GGADMN CC[C@H](SC)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382522 1431131729 /nfs/dbraw/zinc/13/17/29/1431131729.db2.gz MTVQVPDCVNEORS-LBPRGKRZSA-N 0 1 384.299 3.343 20 0 GGADMN N#Cc1ccc(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)cc1 ZINC000185384080 1431132084 /nfs/dbraw/zinc/13/20/84/1431132084.db2.gz BFZCHCSFSDGCDN-UHFFFAOYSA-N 0 1 397.232 3.387 20 0 GGADMN N#Cc1ccc(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)cc1 ZINC000185384080 1431132085 /nfs/dbraw/zinc/13/20/85/1431132085.db2.gz BFZCHCSFSDGCDN-UHFFFAOYSA-N 0 1 397.232 3.387 20 0 GGADMN Cc1c(-c2cc(CN3CCC(n4ccc(C(F)(F)F)n4)CC3)on2)cnn1C ZINC000185385036 1431132676 /nfs/dbraw/zinc/13/26/76/1431132676.db2.gz RFTIMZPZIJIOPE-UHFFFAOYSA-N 0 1 394.401 3.436 20 0 GGADMN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000185387076 1431133053 /nfs/dbraw/zinc/13/30/53/1431133053.db2.gz XAGUBAJGLUEUSJ-AWEZNQCLSA-N 0 1 375.900 3.128 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000185400225 1431136459 /nfs/dbraw/zinc/13/64/59/1431136459.db2.gz VBIHXGSVGRYUEK-DLBZAZTESA-N 0 1 396.553 3.146 20 0 GGADMN COC(=O)c1cccc(OCCN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185418143 1431141043 /nfs/dbraw/zinc/14/10/43/1431141043.db2.gz PREOFKXQWODNES-HXUWFJFHSA-N 0 1 383.423 3.104 20 0 GGADMN Cn1cc([C@@H](NC[C@H](O)COc2cccc3[nH]ccc32)c2ccc(F)cc2)cn1 ZINC000185419448 1431141126 /nfs/dbraw/zinc/14/11/26/1431141126.db2.gz WPLBCPVMPPDSOI-AVRDEDQJSA-N 0 1 394.450 3.159 20 0 GGADMN Cn1cc([C@H](NC[C@@H](O)COc2cccc3[nH]ccc32)c2ccc(F)cc2)cn1 ZINC000185419471 1431141466 /nfs/dbraw/zinc/14/14/66/1431141466.db2.gz WPLBCPVMPPDSOI-XMSQKQJNSA-N 0 1 394.450 3.159 20 0 GGADMN Cn1cc([C@H](NC[C@@H](O)COc2ccc(Cl)cc2)c2ccc(F)cc2)cn1 ZINC000185421746 1431141945 /nfs/dbraw/zinc/14/19/45/1431141945.db2.gz FYINNGJXELJDNO-UYAOXDASSA-N 0 1 389.858 3.332 20 0 GGADMN CCOc1ccc(OC[C@H](O)CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185427162 1431143280 /nfs/dbraw/zinc/14/32/80/1431143280.db2.gz PLHWLAGKRUYJML-DENIHFKCSA-N 0 1 399.466 3.077 20 0 GGADMN Cn1cc([C@H](NC[C@@H](O)COc2ccccc2Cl)c2ccc(F)cc2)cn1 ZINC000185427979 1431143420 /nfs/dbraw/zinc/14/34/20/1431143420.db2.gz ZACQCQKMHCBQAX-YLJYHZDGSA-N 0 1 389.858 3.332 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NCC1(c2cccc(F)c2)CC1 ZINC000185433096 1431144522 /nfs/dbraw/zinc/14/45/22/1431144522.db2.gz IJFVSLAACCUQLY-UHFFFAOYSA-N 0 1 395.438 3.054 20 0 GGADMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185444469 1431146854 /nfs/dbraw/zinc/14/68/54/1431146854.db2.gz PPNNJTXYAFLDQQ-UHFFFAOYSA-N 0 1 380.408 3.305 20 0 GGADMN Cc1cccc([C@H](C)CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185446073 1431147467 /nfs/dbraw/zinc/14/74/67/1431147467.db2.gz CUGRNCKBGTVGQZ-MRXNPFEDSA-N 0 1 379.464 3.295 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(O)cc(F)c2)cc1 ZINC000185451008 1431148267 /nfs/dbraw/zinc/14/82/67/1431148267.db2.gz GNBISHWEQARLNU-AWEZNQCLSA-N 0 1 380.485 3.413 20 0 GGADMN CC[C@H]1CN(Cc2cc(-c3cnn(C)c3C)no2)CCN1Cc1ccccc1 ZINC000185450166 1431148342 /nfs/dbraw/zinc/14/83/42/1431148342.db2.gz DHUDMKZHIRTGPS-IBGZPJMESA-N 0 1 379.508 3.480 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000185459014 1431149786 /nfs/dbraw/zinc/14/97/86/1431149786.db2.gz HIIJDJBPYPOOGG-DNVCBOLYSA-N 0 1 396.503 3.328 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000185459037 1431149980 /nfs/dbraw/zinc/14/99/80/1431149980.db2.gz HIIJDJBPYPOOGG-HNAYVOBHSA-N 0 1 396.503 3.328 20 0 GGADMN CCc1ncc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cn1 ZINC000185461330 1431150548 /nfs/dbraw/zinc/15/05/48/1431150548.db2.gz RKTFSPGCMYRUTJ-OAHLLOKOSA-N 0 1 381.402 3.482 20 0 GGADMN C[C@@H](c1ccsc1)N1CCN(CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000185463484 1431151109 /nfs/dbraw/zinc/15/11/09/1431151109.db2.gz HXQLEERYAVSIKT-INIZCTEOSA-N 0 1 386.521 3.165 20 0 GGADMN Cc1cnc([C@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C2CC2)s1 ZINC000185465317 1431151651 /nfs/dbraw/zinc/15/16/51/1431151651.db2.gz UBDLUGRMRGQIPZ-QGZVFWFLSA-N 0 1 398.492 3.099 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000185470643 1431152330 /nfs/dbraw/zinc/15/23/30/1431152330.db2.gz WTUKYBQBOCNPSP-UTKZUKDTSA-N 0 1 391.533 3.268 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000185488359 1431156147 /nfs/dbraw/zinc/15/61/47/1431156147.db2.gz NCJMALCEJHEOBX-CQSZACIVSA-N 0 1 389.459 3.008 20 0 GGADMN Cn1nc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1OC(F)F ZINC000185490982 1431156600 /nfs/dbraw/zinc/15/66/00/1431156600.db2.gz WXKQFZYLIBFXMJ-ZDUSSCGKSA-N 0 1 377.351 3.002 20 0 GGADMN C[C@@H](c1ccsc1)N1CCN(CCC(=O)N2CCc3sccc3C2)CC1 ZINC000185499090 1431158674 /nfs/dbraw/zinc/15/86/74/1431158674.db2.gz BAWVVCBGDAZLDZ-INIZCTEOSA-N 0 1 389.590 3.463 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC3(Cc4ccccc4)CC3)n2)cc1 ZINC000185503064 1431159482 /nfs/dbraw/zinc/15/94/82/1431159482.db2.gz FPHZPSAZZNFYHR-UHFFFAOYSA-N 0 1 377.448 3.055 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC3(Cc4ccccc4)CC3)n[nH]2)cc1 ZINC000185503064 1431159486 /nfs/dbraw/zinc/15/94/86/1431159486.db2.gz FPHZPSAZZNFYHR-UHFFFAOYSA-N 0 1 377.448 3.055 20 0 GGADMN Cc1cccc2c(O)c(C(=O)NC3CCN(Cc4cccnc4)CC3)cnc12 ZINC000185509190 1431160638 /nfs/dbraw/zinc/16/06/38/1431160638.db2.gz OVYJAHNPYKHMFR-UHFFFAOYSA-N 0 1 376.460 3.038 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185507405 1431160970 /nfs/dbraw/zinc/16/09/70/1431160970.db2.gz NMHAUWGXTFWHLR-GDBMZVCRSA-N 0 1 389.525 3.247 20 0 GGADMN C[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1cn(C)c2ccccc12 ZINC000185509754 1431161395 /nfs/dbraw/zinc/16/13/95/1431161395.db2.gz IMUDWRADJYLKFG-KRWDZBQOSA-N 0 1 376.504 3.458 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185517558 1431162791 /nfs/dbraw/zinc/16/27/91/1431162791.db2.gz KTXMZJZIBQFQEC-HZPDHXFCSA-N 0 1 389.525 3.247 20 0 GGADMN CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185517539 1431162998 /nfs/dbraw/zinc/16/29/98/1431162998.db2.gz KTXMZJZIBQFQEC-HOTGVXAUSA-N 0 1 389.525 3.247 20 0 GGADMN CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185522644 1431163787 /nfs/dbraw/zinc/16/37/87/1431163787.db2.gz KSXPKRMHKGCLOF-LBPRGKRZSA-N 0 1 377.282 3.408 20 0 GGADMN CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185522106 1431163909 /nfs/dbraw/zinc/16/39/09/1431163909.db2.gz AKGQYNJKJVHQGQ-LBPRGKRZSA-N 0 1 377.282 3.408 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)c2ccccc21 ZINC000185533185 1431165684 /nfs/dbraw/zinc/16/56/84/1431165684.db2.gz HZHZRRHLNUUVTA-JKSUJKDBSA-N 0 1 388.943 3.489 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(OC(F)F)n(C)n3)[nH]c2c1 ZINC000185551280 1431169331 /nfs/dbraw/zinc/16/93/31/1431169331.db2.gz LBLBNSMBTJWQDD-CQSZACIVSA-N 0 1 375.379 3.184 20 0 GGADMN O=C1[C@@H](NCc2cc(O)cc(F)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC000185555989 1431170062 /nfs/dbraw/zinc/17/00/62/1431170062.db2.gz MPEYLCGSWGHYJX-KRWDZBQOSA-N 0 1 380.366 3.418 20 0 GGADMN COc1ccc(-c2noc(CN[C@H](C)[C@@H]3COc4ccccc43)n2)c(OC)c1 ZINC000185559409 1431170423 /nfs/dbraw/zinc/17/04/23/1431170423.db2.gz USUKCEORGMPAPO-DYVFJYSZSA-N 0 1 381.432 3.408 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)C3(Cc4cccc(F)c4)CCC3)cn2)CC1 ZINC000185563920 1431171467 /nfs/dbraw/zinc/17/14/67/1431171467.db2.gz CLKINJZGYMNAAS-UHFFFAOYSA-N 0 1 396.510 3.002 20 0 GGADMN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000185566410 1431171618 /nfs/dbraw/zinc/17/16/18/1431171618.db2.gz YCMCCRUFJLWGMR-KRWDZBQOSA-N 0 1 395.850 3.003 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(OC(F)F)n(C)n1 ZINC000185573212 1431173293 /nfs/dbraw/zinc/17/32/93/1431173293.db2.gz NGHOEPZOLZCRMB-UHFFFAOYSA-N 0 1 396.463 3.131 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc12 ZINC000185573481 1431173444 /nfs/dbraw/zinc/17/34/44/1431173444.db2.gz SITOCNVTOAKKPX-UHFFFAOYSA-N 0 1 387.248 3.475 20 0 GGADMN CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1 ZINC000185574838 1431173779 /nfs/dbraw/zinc/17/37/79/1431173779.db2.gz AFJJGFORHHAOEQ-UHFFFAOYSA-N 0 1 385.468 3.039 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000185591782 1431178884 /nfs/dbraw/zinc/17/88/84/1431178884.db2.gz DPYQKHHRSVWFEQ-MRXNPFEDSA-N 0 1 397.372 3.202 20 0 GGADMN Cc1oc2ccccc2c1CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000185596611 1431180062 /nfs/dbraw/zinc/18/00/62/1431180062.db2.gz DCWLRHVSZOTXEH-RBUKOAKNSA-N 0 1 393.487 3.176 20 0 GGADMN Cc1oc2ccccc2c1CNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000185596577 1431180237 /nfs/dbraw/zinc/18/02/37/1431180237.db2.gz DCWLRHVSZOTXEH-OALUTQOASA-N 0 1 393.487 3.176 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Br)c(C(C)=O)c2)c(C)n1 ZINC000185607677 1431182745 /nfs/dbraw/zinc/18/27/45/1431182745.db2.gz LYKWBWCYFBRGGB-UHFFFAOYSA-N 0 1 399.266 3.165 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000185609434 1431183168 /nfs/dbraw/zinc/18/31/68/1431183168.db2.gz PDMBBJMDJXYOLB-LBPRGKRZSA-N 0 1 382.327 3.490 20 0 GGADMN NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)c2c(O)cccc2F)c1 ZINC000185610260 1431183377 /nfs/dbraw/zinc/18/33/77/1431183377.db2.gz HHGJTXUKLJZAHM-UHFFFAOYSA-N 0 1 379.391 3.495 20 0 GGADMN CC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000185618171 1431185652 /nfs/dbraw/zinc/18/56/52/1431185652.db2.gz VKVCUMUDORXWGR-UHFFFAOYSA-N 0 1 399.222 3.361 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)NCc1ccccc1C ZINC000185619270 1431186277 /nfs/dbraw/zinc/18/62/77/1431186277.db2.gz DTXGCFHUYDKQIB-CYBMUJFWSA-N 0 1 382.430 3.338 20 0 GGADMN Nn1c(SCCOCC2CC2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000185623581 1431186822 /nfs/dbraw/zinc/18/68/22/1431186822.db2.gz OEAMFUXTQDJKQO-UHFFFAOYSA-N 0 1 390.900 3.221 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCS(=O)(=O)c1ccccc1 ZINC000185628050 1431188062 /nfs/dbraw/zinc/18/80/62/1431188062.db2.gz JDBPWMOSQSJDKP-GFCCVEGCSA-N 0 1 389.443 3.187 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN[C@@H](C)[C@H]3COc4ccccc43)nc2c1 ZINC000185630882 1431189080 /nfs/dbraw/zinc/18/90/80/1431189080.db2.gz KWRBYVBHTMYVSV-XJKSGUPXSA-N 0 1 386.473 3.276 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)N1CCc2ccccc2C1 ZINC000185635729 1431190771 /nfs/dbraw/zinc/19/07/71/1431190771.db2.gz LLLBVMOBKKBFMK-ZDUSSCGKSA-N 0 1 394.441 3.298 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)NCc1ccccc1 ZINC000185636977 1431190826 /nfs/dbraw/zinc/19/08/26/1431190826.db2.gz UPIYLJGCAIAPGW-TZMCWYRMSA-N 0 1 382.430 3.418 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)NCc1ccccc1 ZINC000185636993 1431190831 /nfs/dbraw/zinc/19/08/31/1431190831.db2.gz UPIYLJGCAIAPGW-GXTWGEPZSA-N 0 1 382.430 3.418 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185644979 1431194119 /nfs/dbraw/zinc/19/41/19/1431194119.db2.gz OVFBXDKPVRMNSY-GFCCVEGCSA-N 0 1 398.429 3.038 20 0 GGADMN Cc1nn(C)c(=O)c(-c2nc(CN[C@H](C)[C@@H]3COc4ccccc43)cs2)c1C ZINC000185646197 1431194814 /nfs/dbraw/zinc/19/48/14/1431194814.db2.gz JLCYUQQBMLMGCY-PBHICJAKSA-N 0 1 396.516 3.175 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000185651100 1431195927 /nfs/dbraw/zinc/19/59/27/1431195927.db2.gz JJWKLFLQKRRDAL-HUUCEWRRSA-N 0 1 388.439 3.364 20 0 GGADMN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000185651523 1431196188 /nfs/dbraw/zinc/19/61/88/1431196188.db2.gz OBYCCKAOQSNSMR-INIZCTEOSA-N 0 1 384.476 3.399 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)C(=O)NCc1cccs1 ZINC000185653861 1431196743 /nfs/dbraw/zinc/19/67/43/1431196743.db2.gz FENNRJRNTKCYRP-JQWIXIFHSA-N 0 1 388.459 3.479 20 0 GGADMN COc1ccc([C@@H]2CCN(CN3C[C@H](c4cccc(OC)c4)CC3=O)C2)cc1 ZINC000185658527 1431198178 /nfs/dbraw/zinc/19/81/78/1431198178.db2.gz UAAKPFFIHPCTBB-WOJBJXKFSA-N 0 1 380.488 3.467 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)c1 ZINC000185659961 1431198730 /nfs/dbraw/zinc/19/87/30/1431198730.db2.gz IPZXCWOJDVPUGP-QHCPKHFHSA-N 0 1 385.894 3.222 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@@H]1CCCc2sccc21 ZINC000185660822 1431199178 /nfs/dbraw/zinc/19/91/78/1431199178.db2.gz FHDJSDGLZDRGDF-OAHLLOKOSA-N 0 1 383.477 3.322 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000185660699 1431199389 /nfs/dbraw/zinc/19/93/89/1431199389.db2.gz KAGWCDNKASXFHO-OAHLLOKOSA-N 0 1 384.542 3.050 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000185663567 1431199704 /nfs/dbraw/zinc/19/97/04/1431199704.db2.gz SNYOBBMUQFFDDN-AWEZNQCLSA-N 0 1 390.867 3.490 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000185664042 1431199763 /nfs/dbraw/zinc/19/97/63/1431199763.db2.gz JNCRGSZGIICFOZ-CYBMUJFWSA-N 0 1 376.840 3.181 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000185663471 1431199776 /nfs/dbraw/zinc/19/97/76/1431199776.db2.gz FTKSCHYZKLXBCS-LBPRGKRZSA-N 0 1 394.830 3.320 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000185665084 1431200292 /nfs/dbraw/zinc/20/02/92/1431200292.db2.gz MHNXNEBOASFHCV-AWEZNQCLSA-N 0 1 390.867 3.490 20 0 GGADMN CCOc1cc(NC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)ncn1 ZINC000185666864 1431200700 /nfs/dbraw/zinc/20/07/00/1431200700.db2.gz AVUKKDZOWZCETE-UHFFFAOYSA-N 0 1 398.536 3.414 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCN([C@H](C)c2nccs2)CC1)c1ccccc1 ZINC000185687167 1431206295 /nfs/dbraw/zinc/20/62/95/1431206295.db2.gz BYQMUFUTBULIMV-IEBWSBKVSA-N 0 1 386.565 3.431 20 0 GGADMN C/C=C/C[C@@H](CO)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000185689975 1431206998 /nfs/dbraw/zinc/20/69/98/1431206998.db2.gz UQUYQFPBXXYIRJ-DCKQQPRJSA-N 0 1 379.932 3.178 20 0 GGADMN C[C@H](c1nccs1)N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000185694661 1431208131 /nfs/dbraw/zinc/20/81/31/1431208131.db2.gz WYCCIJXDRWCZAV-QUCCMNQESA-N 0 1 398.576 3.403 20 0 GGADMN O=C(NCc1ccc(C(F)F)cc1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000185696087 1431208698 /nfs/dbraw/zinc/20/86/98/1431208698.db2.gz VMABPTIEOYDGBI-RTBURBONSA-N 0 1 389.446 3.059 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(-c2cncnc2)cc1F ZINC000185716094 1431214473 /nfs/dbraw/zinc/21/44/73/1431214473.db2.gz DBXOVSIQSXAYKY-UHFFFAOYSA-N 0 1 391.450 3.072 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)nc2c1CCCC2 ZINC000185724438 1431216071 /nfs/dbraw/zinc/21/60/71/1431216071.db2.gz NKMDTAFUTOCKFI-UHFFFAOYSA-N 0 1 394.456 3.184 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(F)cc1 ZINC000185725714 1431216566 /nfs/dbraw/zinc/21/65/66/1431216566.db2.gz XAFWNLIDOGYHMQ-FQEVSTJZSA-N 0 1 382.414 3.455 20 0 GGADMN C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C1(N2CCOCC2)CCCC1 ZINC000185739744 1431219996 /nfs/dbraw/zinc/21/99/96/1431219996.db2.gz OVAAGTQUMSWSPP-MRXNPFEDSA-N 0 1 377.529 3.054 20 0 GGADMN COCc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)cnn1-c1ccccc1 ZINC000185741393 1431220753 /nfs/dbraw/zinc/22/07/53/1431220753.db2.gz CUJRQOWLGAALPS-UHFFFAOYSA-N 0 1 375.432 3.133 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN([C@H](C)c4nccs4)CC3)n[nH]2)c1 ZINC000185742472 1431221216 /nfs/dbraw/zinc/22/12/16/1431221216.db2.gz NKZIGIIUMSJPCQ-CQSZACIVSA-N 0 1 397.504 3.061 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185754641 1431225409 /nfs/dbraw/zinc/22/54/09/1431225409.db2.gz URSLZLLNRWHQDA-UONOGXRCSA-N 0 1 391.393 3.007 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185754604 1431225416 /nfs/dbraw/zinc/22/54/16/1431225416.db2.gz URSLZLLNRWHQDA-ZIAGYGMSSA-N 0 1 391.393 3.007 20 0 GGADMN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000185774312 1431231528 /nfs/dbraw/zinc/23/15/28/1431231528.db2.gz MCFXJTYDGMMKNK-LBPRGKRZSA-N 0 1 380.441 3.002 20 0 GGADMN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185777749 1431233176 /nfs/dbraw/zinc/23/31/76/1431233176.db2.gz IXVMEUZNGYLIPM-OAHLLOKOSA-N 0 1 377.231 3.242 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000185778731 1431233359 /nfs/dbraw/zinc/23/33/59/1431233359.db2.gz OOICOXCMXHQBGA-AWEZNQCLSA-N 0 1 393.285 3.160 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000185784278 1431235242 /nfs/dbraw/zinc/23/52/42/1431235242.db2.gz QHCRSBOTQHQKLG-IRXDYDNUSA-N 0 1 382.888 3.218 20 0 GGADMN O=C(CN1CCC(c2ccc(Cl)cc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000185796301 1431238315 /nfs/dbraw/zinc/23/83/15/1431238315.db2.gz SXNZYZONQNDMQG-UHFFFAOYSA-N 0 1 392.927 3.321 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000185802698 1431240111 /nfs/dbraw/zinc/24/01/11/1431240111.db2.gz YCOKRAXRTVIOIF-QFIPXVFZSA-N 0 1 391.515 3.032 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000185804647 1431240123 /nfs/dbraw/zinc/24/01/23/1431240123.db2.gz NYFNKLIFHKWINY-IBGZPJMESA-N 0 1 398.503 3.166 20 0 GGADMN CSc1ccccc1NC(=O)CCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185820702 1431243702 /nfs/dbraw/zinc/24/37/02/1431243702.db2.gz SGYATPFGJIDGQA-UHFFFAOYSA-N 0 1 399.564 3.473 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000185823367 1431244543 /nfs/dbraw/zinc/24/45/43/1431244543.db2.gz JMQIJTJQXVIZAH-HZPDHXFCSA-N 0 1 389.462 3.404 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)cc2)CC1 ZINC000185824104 1431244559 /nfs/dbraw/zinc/24/45/59/1431244559.db2.gz AIISAIJSMKYRGE-IBGZPJMESA-N 0 1 389.499 3.155 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc3c(cccc3Cl)n2C)[nH]n1 ZINC000185835065 1431246771 /nfs/dbraw/zinc/24/67/71/1431246771.db2.gz KVIFGIKDACKYAA-UHFFFAOYSA-N 0 1 383.843 3.219 20 0 GGADMN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185843707 1431249891 /nfs/dbraw/zinc/24/98/91/1431249891.db2.gz HSHFJWPTDCVTOG-MRXNPFEDSA-N 0 1 395.850 3.051 20 0 GGADMN Cc1ccccc1C(NCC(=O)N1CCC2(CC1)OCCO2)c1ccccc1C ZINC000185857210 1431253503 /nfs/dbraw/zinc/25/35/03/1431253503.db2.gz QIXOVUUBQYASCJ-UHFFFAOYSA-N 0 1 394.515 3.348 20 0 GGADMN Cc1ccccc1C(NCC(=O)N(C)Cc1cnn(C)c1)c1ccccc1C ZINC000185859157 1431254368 /nfs/dbraw/zinc/25/43/68/1431254368.db2.gz RSRAWTKVCBAGIV-UHFFFAOYSA-N 0 1 376.504 3.375 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)[nH]n2)c1 ZINC000185860309 1431254587 /nfs/dbraw/zinc/25/45/87/1431254587.db2.gz DSHZLODVAPCFPJ-UHFFFAOYSA-N 0 1 377.404 3.315 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185870503 1431257718 /nfs/dbraw/zinc/25/77/18/1431257718.db2.gz GORGWTZNPVJATM-AWEZNQCLSA-N 0 1 383.427 3.425 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCC(O)(c4ccccc4)CC3)n[nH]2)c1 ZINC000185874034 1431259231 /nfs/dbraw/zinc/25/92/31/1431259231.db2.gz RTJZQPQKCABYRZ-UHFFFAOYSA-N 0 1 377.444 3.209 20 0 GGADMN CCN(Cc1ccccc1C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185876527 1431259438 /nfs/dbraw/zinc/25/94/38/1431259438.db2.gz KZGJSFZUIOKLEI-UHFFFAOYSA-N 0 1 379.464 3.424 20 0 GGADMN CCC[C@H]1CCCCN1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000185876283 1431259557 /nfs/dbraw/zinc/25/95/57/1431259557.db2.gz RVTFSFSXASLECW-IBGZPJMESA-N 0 1 389.565 3.469 20 0 GGADMN O=C(c1cc(COc2ccccc2F)on1)N1CCN(C2CCCCC2)CC1 ZINC000185882534 1431261935 /nfs/dbraw/zinc/26/19/35/1431261935.db2.gz JUEJWJVVTULVBV-UHFFFAOYSA-N 0 1 387.455 3.483 20 0 GGADMN COc1ccc(CN(C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1C ZINC000185882926 1431261941 /nfs/dbraw/zinc/26/19/41/1431261941.db2.gz RVUJQRDILSLCSL-UHFFFAOYSA-N 0 1 395.463 3.042 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185884602 1431263032 /nfs/dbraw/zinc/26/30/32/1431263032.db2.gz RLRYOYAJUUNXTQ-ZBFHGGJFSA-N 0 1 389.525 3.199 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185884582 1431263096 /nfs/dbraw/zinc/26/30/96/1431263096.db2.gz RLRYOYAJUUNXTQ-GDBMZVCRSA-N 0 1 389.525 3.199 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185889364 1431265201 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GGADMN Cc1cccc([C@H]2CCCN2C(=O)NCc2n[nH]c(COc3ccccc3)n2)n1 ZINC000185895263 1431267546 /nfs/dbraw/zinc/26/75/46/1431267546.db2.gz OCWQKPDDMUGJLZ-GOSISDBHSA-N 0 1 392.463 3.134 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@@H]1Cc1ccccc1 ZINC000185896645 1431268759 /nfs/dbraw/zinc/26/87/59/1431268759.db2.gz LRUXQZFQGXNXGI-GOSISDBHSA-N 0 1 391.475 3.300 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)c1 ZINC000185923875 1431281783 /nfs/dbraw/zinc/28/17/83/1431281783.db2.gz AMHSPVZRKIULTQ-UHFFFAOYSA-N 0 1 376.478 3.229 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([NH+]2CCC(c3ccsc3)CC2)C1=O ZINC000185936919 1431286771 /nfs/dbraw/zinc/28/67/71/1431286771.db2.gz ZLTATTMCXFMWGT-GOSISDBHSA-N 0 1 398.484 3.266 20 0 GGADMN C[S@](=O)Cc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000185936540 1431286999 /nfs/dbraw/zinc/28/69/99/1431286999.db2.gz ATHYLYKDRBQWNK-NDEPHWFRSA-N 0 1 399.560 3.106 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000185938707 1431287141 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GGADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2sccc2OC)cc1OC ZINC000186111326 1431332416 /nfs/dbraw/zinc/33/24/16/1431332416.db2.gz WNCNTWYCOPXANC-ZDUSSCGKSA-N 0 1 378.494 3.131 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2sccc2OC)cc1OC ZINC000186111343 1431332636 /nfs/dbraw/zinc/33/26/36/1431332636.db2.gz WNCNTWYCOPXANC-CYBMUJFWSA-N 0 1 378.494 3.131 20 0 GGADMN CCC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000186121783 1431334647 /nfs/dbraw/zinc/33/46/47/1431334647.db2.gz HCEQSECTDGHWIK-NVXWUHKLSA-N 0 1 399.457 3.073 20 0 GGADMN CCC(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000186121726 1431334710 /nfs/dbraw/zinc/33/47/10/1431334710.db2.gz HCEQSECTDGHWIK-RDJZCZTQSA-N 0 1 399.457 3.073 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc2nccn2c1)c1cccc(C(F)(F)F)c1 ZINC000186123015 1431335404 /nfs/dbraw/zinc/33/54/04/1431335404.db2.gz LHPHSIZYZQMVIN-MRXNPFEDSA-N 0 1 376.382 3.386 20 0 GGADMN CC(=O)N[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CCCC1 ZINC000186124480 1431335769 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3.215 20 0 GGADMN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186139486 1431339853 /nfs/dbraw/zinc/33/98/53/1431339853.db2.gz DVBPOQFQDUBDAQ-SFHVURJKSA-N 0 1 392.459 3.155 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](C)C3(c4ccccc4)CCCC3)C2)CC1 ZINC000186149276 1431341816 /nfs/dbraw/zinc/34/18/16/1431341816.db2.gz WXMHLLAFGOLLSB-UNMCSNQZSA-N 0 1 398.595 3.308 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)C1(c2ccccc2)CCCC1 ZINC000186163074 1431344973 /nfs/dbraw/zinc/34/49/73/1431344973.db2.gz FWQNOWJWJFXZPW-LJQANCHMSA-N 0 1 385.552 3.393 20 0 GGADMN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186166061 1431345492 /nfs/dbraw/zinc/34/54/92/1431345492.db2.gz XUIALWMAZGEVGV-UHFFFAOYSA-N 0 1 399.336 3.324 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2cccc(N(C)C)n2)cc1 ZINC000186179089 1431347527 /nfs/dbraw/zinc/34/75/27/1431347527.db2.gz QXEWXUYFONRLIP-UXHICEINSA-N 0 1 387.549 3.331 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186199781 1431350826 /nfs/dbraw/zinc/35/08/26/1431350826.db2.gz AOVSLLJIULHLKV-LJQANCHMSA-N 0 1 385.855 3.498 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)NCC1(c2ccccc2)CCCCC1 ZINC000186204912 1431351817 /nfs/dbraw/zinc/35/18/17/1431351817.db2.gz MKLSSVCFHVSISS-UHFFFAOYSA-N 0 1 395.551 3.008 20 0 GGADMN O=C(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(F)cc1 ZINC000186203485 1431352000 /nfs/dbraw/zinc/35/20/00/1431352000.db2.gz OBWRCDVPRLOFKJ-SFHVURJKSA-N 0 1 378.407 3.488 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000186213461 1431354146 /nfs/dbraw/zinc/35/41/46/1431354146.db2.gz BPSZKKQRCKIDAL-SJORKVTESA-N 0 1 399.457 3.225 20 0 GGADMN CC(C)(O)[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000186213516 1431354238 /nfs/dbraw/zinc/35/42/38/1431354238.db2.gz BPSZKKQRCKIDAL-DLBZAZTESA-N 0 1 399.457 3.225 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(Cn2cncn2)CC1 ZINC000186215662 1431354624 /nfs/dbraw/zinc/35/46/24/1431354624.db2.gz FXUKRDAMBJYCGV-ZWKOTPCHSA-N 0 1 395.551 3.135 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000186220520 1431355853 /nfs/dbraw/zinc/35/58/53/1431355853.db2.gz MOZVLHUAHYPETA-IBGZPJMESA-N 0 1 397.544 3.269 20 0 GGADMN C[C@H](NC(=O)CN1CCC(Cn2cncn2)CC1)c1cccc2ccccc21 ZINC000186221080 1431356065 /nfs/dbraw/zinc/35/60/65/1431356065.db2.gz VQWKOQBHZODIPZ-KRWDZBQOSA-N 0 1 377.492 3.021 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000186225088 1431356786 /nfs/dbraw/zinc/35/67/86/1431356786.db2.gz RQGFKDCFMWTIMG-OAHLLOKOSA-N 0 1 386.496 3.340 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(=O)[nH]c(C5CC5)c4)C3)[nH]c2c1 ZINC000186228324 1431357489 /nfs/dbraw/zinc/35/74/89/1431357489.db2.gz XPVYQZTZKPMHSN-OAHLLOKOSA-N 0 1 376.460 3.457 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000186231449 1431358132 /nfs/dbraw/zinc/35/81/32/1431358132.db2.gz ZHWYBJAOVBAXOR-UHFFFAOYSA-N 0 1 387.572 3.484 20 0 GGADMN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)Cc1nnc[nH]1 ZINC000186251383 1431363156 /nfs/dbraw/zinc/36/31/56/1431363156.db2.gz JXIIGMYGAORRPI-UHFFFAOYSA-N 0 1 379.424 3.421 20 0 GGADMN CC(C)c1ccc(CN(C(=O)CN2CCC(Cn3cncn3)CC2)C2CC2)cc1 ZINC000186252345 1431363217 /nfs/dbraw/zinc/36/32/17/1431363217.db2.gz QKUFSTSLLPIPDH-UHFFFAOYSA-N 0 1 395.551 3.305 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000186274404 1431368805 /nfs/dbraw/zinc/36/88/05/1431368805.db2.gz RIYQTGFOJIZNNA-LBPRGKRZSA-N 0 1 391.367 3.081 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OC ZINC000186281994 1431370840 /nfs/dbraw/zinc/37/08/40/1431370840.db2.gz FPLWLMMQIPDQHH-CQSZACIVSA-N 0 1 380.448 3.098 20 0 GGADMN COc1ccc(C[C@H](C)CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OC ZINC000186281974 1431370875 /nfs/dbraw/zinc/37/08/75/1431370875.db2.gz FPLWLMMQIPDQHH-AWEZNQCLSA-N 0 1 380.448 3.098 20 0 GGADMN Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000186287443 1431372177 /nfs/dbraw/zinc/37/21/77/1431372177.db2.gz QSNRMUMZGGAMSX-MRXNPFEDSA-N 0 1 376.464 3.196 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000186296058 1431374430 /nfs/dbraw/zinc/37/44/30/1431374430.db2.gz FFWBAHFHUTYPOY-UHFFFAOYSA-N 0 1 398.470 3.109 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000186307993 1431378057 /nfs/dbraw/zinc/37/80/57/1431378057.db2.gz QJXFHPBVTPQIEH-SFHVURJKSA-N 0 1 390.915 3.177 20 0 GGADMN C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000186307222 1431378165 /nfs/dbraw/zinc/37/81/65/1431378165.db2.gz MLFCDIJEXYRQRT-ZDUSSCGKSA-N 0 1 377.282 3.164 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CCN1Cc1ccccc1 ZINC000186316837 1431380405 /nfs/dbraw/zinc/38/04/05/1431380405.db2.gz FUFRSIHONJCJCT-FQEVSTJZSA-N 0 1 379.504 3.379 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3cccnc3)c2C1 ZINC000186321410 1431382012 /nfs/dbraw/zinc/38/20/12/1431382012.db2.gz PZEROOMZKNACGM-INIZCTEOSA-N 0 1 380.492 3.039 20 0 GGADMN COCC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)ccc21 ZINC000186323812 1431382479 /nfs/dbraw/zinc/38/24/79/1431382479.db2.gz LLPCXDIFPDWVKY-UHFFFAOYSA-N 0 1 394.406 3.004 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186328209 1431383938 /nfs/dbraw/zinc/38/39/38/1431383938.db2.gz IIZFKZUBYMGCRT-CQSZACIVSA-N 0 1 385.830 3.273 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186330135 1431384848 /nfs/dbraw/zinc/38/48/48/1431384848.db2.gz NZXWUAFRMWFZOA-SNVBAGLBSA-N 0 1 392.385 3.338 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)n1 ZINC000186350891 1431389610 /nfs/dbraw/zinc/38/96/10/1431389610.db2.gz DKMGXUUJLJUKLC-UHFFFAOYSA-N 0 1 398.507 3.233 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000186353058 1431390098 /nfs/dbraw/zinc/39/00/98/1431390098.db2.gz BHHOOLUTCFOCFA-CQSZACIVSA-N 0 1 390.369 3.164 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000186353039 1431390337 /nfs/dbraw/zinc/39/03/37/1431390337.db2.gz BHHOOLUTCFOCFA-AWEZNQCLSA-N 0 1 390.369 3.164 20 0 GGADMN CCN(C(=O)c1cccc(C[S@](C)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186359203 1431391598 /nfs/dbraw/zinc/39/15/98/1431391598.db2.gz ODHJLEGKPNMNIW-ZBLYBZFDSA-N 0 1 384.545 3.302 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000186359373 1431391608 /nfs/dbraw/zinc/39/16/08/1431391608.db2.gz GOOFZOGKQKPYOA-KRWDZBQOSA-N 0 1 376.460 3.046 20 0 GGADMN O=C(NNC(=O)c1ccc2ccccc2n1)Nc1ccccc1Br ZINC000186361652 1431391796 /nfs/dbraw/zinc/39/17/96/1431391796.db2.gz SWTHQFADIUVESP-UHFFFAOYSA-N 0 1 385.221 3.464 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000186361042 1431391858 /nfs/dbraw/zinc/39/18/58/1431391858.db2.gz YTKPXOGSLQTPQE-GFCCVEGCSA-N 0 1 395.866 3.016 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1-c1nnnn1C1CC1 ZINC000186364198 1431392372 /nfs/dbraw/zinc/39/23/72/1431392372.db2.gz JFLDAUYDLKALAL-UHFFFAOYSA-N 0 1 386.419 3.021 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000186363037 1431392401 /nfs/dbraw/zinc/39/24/01/1431392401.db2.gz YLGDQRTVKCXEQM-APWZRJJASA-N 0 1 397.544 3.267 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NCc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000186374302 1431395201 /nfs/dbraw/zinc/39/52/01/1431395201.db2.gz IOASUSUKYZBEBX-CYBMUJFWSA-N 0 1 376.432 3.141 20 0 GGADMN COC(=O)N1CCC([C@H](C)NCc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000186374284 1431395384 /nfs/dbraw/zinc/39/53/84/1431395384.db2.gz IOASUSUKYZBEBX-ZDUSSCGKSA-N 0 1 376.432 3.141 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000186392027 1431399036 /nfs/dbraw/zinc/39/90/36/1431399036.db2.gz WJSXUBZYPQBKLR-GFCCVEGCSA-N 0 1 378.860 3.347 20 0 GGADMN CCOC(=O)c1nn(C)cc1CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000186393421 1431399363 /nfs/dbraw/zinc/39/93/63/1431399363.db2.gz BOOGKRGYDYCIFK-RDJZCZTQSA-N 0 1 381.835 3.009 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000186413276 1431408882 /nfs/dbraw/zinc/40/88/82/1431408882.db2.gz ABIGNUNJYRJZJC-UHFFFAOYSA-N 0 1 375.425 3.247 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000186418184 1431411321 /nfs/dbraw/zinc/41/13/21/1431411321.db2.gz ZERNCRXWEUEROU-AWEZNQCLSA-N 0 1 388.468 3.092 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCC(O)(c2c(F)cccc2F)CC1)c1ccccc1 ZINC000186417524 1431411494 /nfs/dbraw/zinc/41/14/94/1431411494.db2.gz DUFSNLXGKGPZMA-FQEVSTJZSA-N 0 1 388.458 3.468 20 0 GGADMN CCOc1cc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc(Cl)c1[O-] ZINC000186423148 1431413644 /nfs/dbraw/zinc/41/36/44/1431413644.db2.gz MYJIVGDAQDXOKZ-QGZVFWFLSA-N 0 1 392.883 3.486 20 0 GGADMN COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000186425883 1431414840 /nfs/dbraw/zinc/41/48/40/1431414840.db2.gz HONPNAKFQLEORA-NEPJUHHUSA-N 0 1 391.541 3.408 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000186426592 1431415315 /nfs/dbraw/zinc/41/53/15/1431415315.db2.gz WDRVHVFKDNVOLM-ZDUSSCGKSA-N 0 1 376.432 3.222 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2n[nH]c(COc3ccccc3)n2)s1 ZINC000186432480 1431417324 /nfs/dbraw/zinc/41/73/24/1431417324.db2.gz SEGMXTWFALIKHR-CYBMUJFWSA-N 0 1 387.509 3.188 20 0 GGADMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc2c(c1)OCCCO2 ZINC000186432107 1431417411 /nfs/dbraw/zinc/41/74/11/1431417411.db2.gz WSFJPAISKWUEPM-OAHLLOKOSA-N 0 1 380.448 3.396 20 0 GGADMN C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc2c(c1)OCCCO2 ZINC000186432107 1431417413 /nfs/dbraw/zinc/41/74/13/1431417413.db2.gz WSFJPAISKWUEPM-OAHLLOKOSA-N 0 1 380.448 3.396 20 0 GGADMN C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000186434450 1431417986 /nfs/dbraw/zinc/41/79/86/1431417986.db2.gz FNFBLRBVQFRWEP-MRXNPFEDSA-N 0 1 391.475 3.361 20 0 GGADMN Cn1cc([C@@H](NCc2n[nH]c(COc3ccccc3)n2)c2cccc(F)c2)cn1 ZINC000186435714 1431419408 /nfs/dbraw/zinc/41/94/08/1431419408.db2.gz DVWMADRJPBSLCP-NRFANRHFSA-N 0 1 392.438 3.136 20 0 GGADMN C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000186438089 1431420096 /nfs/dbraw/zinc/42/00/96/1431420096.db2.gz RALRKHFDJVXROF-OAHLLOKOSA-N 0 1 393.447 3.191 20 0 GGADMN COCc1cc([C@@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)ccc1OC ZINC000186439768 1431420786 /nfs/dbraw/zinc/42/07/86/1431420786.db2.gz DKUMNCPHDBLQET-OAHLLOKOSA-N 0 1 382.464 3.390 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186442336 1431421179 /nfs/dbraw/zinc/42/11/79/1431421179.db2.gz OMKUWDIWZXOEFQ-GOSISDBHSA-N 0 1 381.398 3.301 20 0 GGADMN Cc1ncsc1/C=C/C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000186447580 1431422378 /nfs/dbraw/zinc/42/23/78/1431422378.db2.gz HDMSFNODCCYPFZ-UZYOAWRESA-N 0 1 388.512 3.233 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000186458328 1431424503 /nfs/dbraw/zinc/42/45/03/1431424503.db2.gz UYHTVFIVIJBURC-CABCVRRESA-N 0 1 378.398 3.211 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]23CCOC3=O)c1 ZINC000186463273 1431426309 /nfs/dbraw/zinc/42/63/09/1431426309.db2.gz LYCNTAHLMUPEOV-HSZRJFAPSA-N 0 1 378.472 3.240 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)N1CCc2ccccc2C1 ZINC000186464634 1431426431 /nfs/dbraw/zinc/42/64/31/1431426431.db2.gz MFCYLPSFBABGJV-INIZCTEOSA-N 0 1 390.462 3.459 20 0 GGADMN COc1cccc(NC(=O)CCN2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000186482604 1431432185 /nfs/dbraw/zinc/43/21/85/1431432185.db2.gz ZRIPQVCWEQSENB-UHFFFAOYSA-N 0 1 390.430 3.286 20 0 GGADMN C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)N(C)C ZINC000186486226 1431433579 /nfs/dbraw/zinc/43/35/79/1431433579.db2.gz LRRDGYDDSHAYGO-HJPURHCSSA-N 0 1 396.487 3.228 20 0 GGADMN O=C(CCN1CCC(O)(c2c(F)cccc2F)CC1)NCC1CCCCC1 ZINC000186486007 1431433772 /nfs/dbraw/zinc/43/37/72/1431433772.db2.gz KKNLPBBKDTYNAR-UHFFFAOYSA-N 0 1 380.479 3.335 20 0 GGADMN Cc1cc(Br)c(F)cc1NC(=O)c1nnc2ccccc2c1O ZINC000186506865 1431440241 /nfs/dbraw/zinc/44/02/41/1431440241.db2.gz VEDKNIPOBJAWDG-UHFFFAOYSA-N 0 1 376.185 3.385 20 0 GGADMN CC(C)c1ccnc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1 ZINC000186514300 1431443485 /nfs/dbraw/zinc/44/34/85/1431443485.db2.gz DIALUOJRINCKEV-UHFFFAOYSA-N 0 1 394.454 3.092 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cn(C)nc2-c2ccccc2)cc1 ZINC000186521480 1431445322 /nfs/dbraw/zinc/44/53/22/1431445322.db2.gz ZFVCUOXLIRDUCC-KRWDZBQOSA-N 0 1 383.517 3.348 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)OC(C)C ZINC000186524575 1431445641 /nfs/dbraw/zinc/44/56/41/1431445641.db2.gz CIXSOMBMZIJJMA-HXUWFJFHSA-N 0 1 380.444 3.433 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000186559871 1431453854 /nfs/dbraw/zinc/45/38/54/1431453854.db2.gz SRWIKVBMIWCCOI-INIZCTEOSA-N 0 1 383.492 3.237 20 0 GGADMN Cn1c2ccccc2nc1C(C)(C)NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000186563719 1431454829 /nfs/dbraw/zinc/45/48/29/1431454829.db2.gz YEHZVAWYSCZBNW-HNNXBMFYSA-N 0 1 378.476 3.319 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000186587367 1431461648 /nfs/dbraw/zinc/46/16/48/1431461648.db2.gz PVASRZXRVQGADY-FOIQADDNSA-N 0 1 389.521 3.005 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccccc1OC(F)F)[C@H](c1ccccc1)N(C)C ZINC000186592299 1431462869 /nfs/dbraw/zinc/46/28/69/1431462869.db2.gz MZVPEDDROPOIHC-CXAGYDPISA-N 0 1 384.448 3.258 20 0 GGADMN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000186621407 1431471984 /nfs/dbraw/zinc/47/19/84/1431471984.db2.gz YKKKZOJKMYULCL-QGZVFWFLSA-N 0 1 396.487 3.128 20 0 GGADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000186621391 1431472154 /nfs/dbraw/zinc/47/21/54/1431472154.db2.gz YKKKZOJKMYULCL-KRWDZBQOSA-N 0 1 396.487 3.128 20 0 GGADMN CCCOc1cccc(CC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000186629930 1431473776 /nfs/dbraw/zinc/47/37/76/1431473776.db2.gz QKYZKCKJVUFLQU-UHFFFAOYSA-N 0 1 380.448 3.031 20 0 GGADMN Cc1cccc2c(CC(=O)NCc3n[nH]c(COc4ccccc4)n3)c[nH]c21 ZINC000186629449 1431474106 /nfs/dbraw/zinc/47/41/06/1431474106.db2.gz FHYBFOMXFNXEHB-UHFFFAOYSA-N 0 1 375.432 3.032 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000186631344 1431474409 /nfs/dbraw/zinc/47/44/09/1431474409.db2.gz SXBXXHSBUOAGMF-UHFFFAOYSA-N 0 1 391.855 3.006 20 0 GGADMN Cc1[nH]c2ccccc2c1CC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186630532 1431474427 /nfs/dbraw/zinc/47/44/27/1431474427.db2.gz JAKMLHICNNMIBQ-UHFFFAOYSA-N 0 1 375.432 3.032 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000186631373 1431474666 /nfs/dbraw/zinc/47/46/66/1431474666.db2.gz OUSHOBUJGGTVHQ-UHFFFAOYSA-N 0 1 393.534 3.191 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 ZINC000186634507 1431476088 /nfs/dbraw/zinc/47/60/88/1431476088.db2.gz YKVONYDULXMQKE-VMPITWQZSA-N 0 1 384.398 3.116 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)cc1C(F)(F)F ZINC000186634679 1431476108 /nfs/dbraw/zinc/47/61/08/1431476108.db2.gz HQGQOQUADGWGED-UHFFFAOYSA-N 0 1 394.328 3.472 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)CC1 ZINC000186636771 1431476333 /nfs/dbraw/zinc/47/63/33/1431476333.db2.gz 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C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)cn1 ZINC000186801059 1431520461 /nfs/dbraw/zinc/52/04/61/1431520461.db2.gz OJPUEIMRTOJRBX-KRWDZBQOSA-N 0 1 389.544 3.210 20 0 GGADMN C[C@@H](NC(=O)CN1CCSC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000186801129 1431520470 /nfs/dbraw/zinc/52/04/70/1431520470.db2.gz RGQKSNIZBJSREF-QGZVFWFLSA-N 0 1 388.577 3.341 20 0 GGADMN CCOc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc(Cl)c1[O-] ZINC000186806777 1431522364 /nfs/dbraw/zinc/52/23/64/1431522364.db2.gz SZVXLTYADVBOFW-UHFFFAOYSA-N 0 1 396.915 3.209 20 0 GGADMN O=C(c1c[nH]c(=S)[nH]1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186812468 1431524363 /nfs/dbraw/zinc/52/43/63/1431524363.db2.gz BAGYKWIBZSIMFS-UHFFFAOYSA-N 0 1 384.427 3.065 20 0 GGADMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCSC2(CCOCC2)C1 ZINC000186840743 1431536000 /nfs/dbraw/zinc/53/60/00/1431536000.db2.gz SKQNHDYHMPBIBA-CCLIWJKGSA-N 0 1 378.582 3.058 20 0 GGADMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCSC2(CCOCC2)C1 ZINC000186840765 1431536071 /nfs/dbraw/zinc/53/60/71/1431536071.db2.gz SKQNHDYHMPBIBA-HWWITLHISA-N 0 1 378.582 3.058 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)[nH]c1-c1ccccc1 ZINC000186844054 1431536556 /nfs/dbraw/zinc/53/65/56/1431536556.db2.gz OHENBNJEODSKHS-OFQRWUPVSA-N 0 1 389.521 3.052 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)[nH]c1-c1ccccc1 ZINC000186842681 1431536890 /nfs/dbraw/zinc/53/68/90/1431536890.db2.gz JRHUNDMYBMFVAD-UHFFFAOYSA-N 0 1 395.484 3.138 20 0 GGADMN CCN(C(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000186845665 1431537425 /nfs/dbraw/zinc/53/74/25/1431537425.db2.gz FEVIFNHVYONMKM-UHFFFAOYSA-N 0 1 383.473 3.212 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C)c(C)c2)[nH]c1-c1ccccc1 ZINC000186845138 1431537474 /nfs/dbraw/zinc/53/74/74/1431537474.db2.gz AVQFIMNVXDZOGJ-UHFFFAOYSA-N 0 1 383.473 3.414 20 0 GGADMN CCOc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc(Cl)c1[O-] ZINC000186847605 1431538199 /nfs/dbraw/zinc/53/81/99/1431538199.db2.gz LDVMVBIQVCQKKT-UHFFFAOYSA-N 0 1 384.904 3.064 20 0 GGADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C)[nH]c1-c1ccccc1 ZINC000186847699 1431538790 /nfs/dbraw/zinc/53/87/90/1431538790.db2.gz LCMQHLOVDAIQKP-HNNXBMFYSA-N 0 1 383.473 3.494 20 0 GGADMN COc1ccc(NC(=O)CCS(=O)(=O)c2nc(C)c(-c3ccccc3)[nH]2)cc1 ZINC000186849838 1431539415 /nfs/dbraw/zinc/53/94/15/1431539415.db2.gz KLTQQUFCYAOGGD-UHFFFAOYSA-N 0 1 399.472 3.196 20 0 GGADMN C[C@@H](C(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1cn(C)c2ccccc12 ZINC000186850697 1431539953 /nfs/dbraw/zinc/53/99/53/1431539953.db2.gz GBAGFTIXIMNASL-CQSZACIVSA-N 0 1 378.476 3.081 20 0 GGADMN CCOc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc(Cl)c1[O-] ZINC000186850566 1431540003 /nfs/dbraw/zinc/54/00/03/1431540003.db2.gz NOULQOGONLQQPR-UHFFFAOYSA-N 0 1 384.904 3.017 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)[nH]c1-c1ccccc1 ZINC000186853539 1431540866 /nfs/dbraw/zinc/54/08/66/1431540866.db2.gz BTCNOESYYPLLLA-LXZKKBNFSA-N 0 1 389.521 3.242 20 0 GGADMN CN1c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2CCC1=O ZINC000186852802 1431540907 /nfs/dbraw/zinc/54/09/07/1431540907.db2.gz UGDOYQPJZLDUDM-UHFFFAOYSA-N 0 1 390.487 3.076 20 0 GGADMN Cc1nc(S(=O)(=O)Cc2nc(-c3ccsc3)no2)[nH]c1-c1ccccc1 ZINC000186853059 1431541227 /nfs/dbraw/zinc/54/12/27/1431541227.db2.gz LGGTVQFVGSSMKA-UHFFFAOYSA-N 0 1 386.458 3.471 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)[nH]c1-c1ccccc1 ZINC000186854059 1431541553 /nfs/dbraw/zinc/54/15/53/1431541553.db2.gz BHJDAKPHRPYXQA-CQSZACIVSA-N 0 1 383.473 3.036 20 0 GGADMN CCOc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186854362 1431541630 /nfs/dbraw/zinc/54/16/30/1431541630.db2.gz UCQCORVXBNIQNC-KBPBESRZSA-N 0 1 384.904 3.064 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[nH]1 ZINC000186856175 1431542179 /nfs/dbraw/zinc/54/21/79/1431542179.db2.gz SVGPRIYXBRZONM-DOTOQJQBSA-N 0 1 389.521 3.338 20 0 GGADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)[nH]c1-c1ccccc1 ZINC000186856047 1431542282 /nfs/dbraw/zinc/54/22/82/1431542282.db2.gz XNZAEFJLTRIPMI-INIZCTEOSA-N 0 1 397.500 3.206 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186864665 1431546056 /nfs/dbraw/zinc/54/60/56/1431546056.db2.gz QBUFKUZAIZCLLX-ZDUSSCGKSA-N 0 1 378.860 3.225 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(CN2CCC(NC(=O)C3CC3)CC2)o1 ZINC000186869825 1431548230 /nfs/dbraw/zinc/54/82/30/1431548230.db2.gz BMVWCVJUOQCPJH-UHFFFAOYSA-N 0 1 382.460 3.224 20 0 GGADMN Cc1ccc(C)c(OCCCCC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000186894499 1431557938 /nfs/dbraw/zinc/55/79/38/1431557938.db2.gz UDAZAORLEYLYNY-IBGZPJMESA-N 0 1 376.541 3.156 20 0 GGADMN CCCOc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1OCCC ZINC000186907236 1431561766 /nfs/dbraw/zinc/56/17/66/1431561766.db2.gz NLSOEWGBRWMMOF-QGZVFWFLSA-N 0 1 392.540 3.181 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000186910203 1431562543 /nfs/dbraw/zinc/56/25/43/1431562543.db2.gz RPYLGHFYYPXOIQ-SFHVURJKSA-N 0 1 388.552 3.244 20 0 GGADMN CC(C)(C)c1cnc(CCC(=O)NCCCN2CCN(c3ccccc3)CC2)o1 ZINC000186914206 1431564126 /nfs/dbraw/zinc/56/41/26/1431564126.db2.gz MBQFOFNJNLIFIN-UHFFFAOYSA-N 0 1 398.551 3.233 20 0 GGADMN CC1(CO)CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000186915997 1431564480 /nfs/dbraw/zinc/56/44/80/1431564480.db2.gz FANYRJBERWVZKJ-UHFFFAOYSA-N 0 1 384.442 3.291 20 0 GGADMN CN1c2ccc(CN3CCCC[C@H]3CNC(=O)c3ccccc3)cc2CCC1=O ZINC000186925910 1431567983 /nfs/dbraw/zinc/56/79/83/1431567983.db2.gz AMJAKZOEJPZKOX-NRFANRHFSA-N 0 1 391.515 3.380 20 0 GGADMN CCCOc1c(Cl)cc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1OC ZINC000186929727 1431568921 /nfs/dbraw/zinc/56/89/21/1431568921.db2.gz IFZNYPIWZQEXBV-AWEZNQCLSA-N 0 1 398.931 3.055 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186932519 1431570040 /nfs/dbraw/zinc/57/00/40/1431570040.db2.gz DWFDZQNRVNRYCW-PXNSSMCTSA-N 0 1 376.516 3.375 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186932469 1431570051 /nfs/dbraw/zinc/57/00/51/1431570051.db2.gz DWFDZQNRVNRYCW-YLJYHZDGSA-N 0 1 376.516 3.375 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000186936589 1431570927 /nfs/dbraw/zinc/57/09/27/1431570927.db2.gz GIAQBXPFNUNOEL-INIZCTEOSA-N 0 1 378.425 3.052 20 0 GGADMN CCN(C(=O)CN1CCC(O)(Cc2cccc(F)c2)CC1)C1CCCCC1 ZINC000186935604 1431571024 /nfs/dbraw/zinc/57/10/24/1431571024.db2.gz JGKCKYGIIHXZGM-UHFFFAOYSA-N 0 1 376.516 3.376 20 0 GGADMN C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186937395 1431571173 /nfs/dbraw/zinc/57/11/73/1431571173.db2.gz SVQXZHHHKUDMAV-FXAWDEMLSA-N 0 1 376.516 3.232 20 0 GGADMN COC(=O)c1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1F ZINC000186937294 1431571306 /nfs/dbraw/zinc/57/13/06/1431571306.db2.gz YKZMEPCDXZRAGL-UHFFFAOYSA-N 0 1 375.415 3.321 20 0 GGADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186937383 1431571411 /nfs/dbraw/zinc/57/14/11/1431571411.db2.gz SVQXZHHHKUDMAV-YLJYHZDGSA-N 0 1 376.516 3.232 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000186942687 1431572701 /nfs/dbraw/zinc/57/27/01/1431572701.db2.gz BQZASKYXOCUPGY-OAHLLOKOSA-N 0 1 387.911 3.319 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186942303 1431572791 /nfs/dbraw/zinc/57/27/91/1431572791.db2.gz IYCSFSGOFUGHNI-SFHVURJKSA-N 0 1 384.495 3.208 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2ccsc2Cl)CCN1Cc1ccccc1 ZINC000186951320 1431575008 /nfs/dbraw/zinc/57/50/08/1431575008.db2.gz OQQMSSLKZATGGT-AWEZNQCLSA-N 0 1 391.924 3.463 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)[C@@H](C)C1 ZINC000186962122 1431577938 /nfs/dbraw/zinc/57/79/38/1431577938.db2.gz GNMXTKSBKDSMRF-RBUKOAKNSA-N 0 1 391.515 3.217 20 0 GGADMN Cc1cc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(C)n1Cc1ccccc1 ZINC000186964250 1431578253 /nfs/dbraw/zinc/57/82/53/1431578253.db2.gz CUODAWBKKGXPQM-SFHVURJKSA-N 0 1 383.536 3.070 20 0 GGADMN CCOc1ccc([C@H](NC(=O)NCCN2CCCOCC2)c2ccccc2)cc1 ZINC000186976108 1431581013 /nfs/dbraw/zinc/58/10/13/1431581013.db2.gz CEYUKMRGAGFCNM-JOCHJYFZSA-N 0 1 397.519 3.196 20 0 GGADMN COc1ccc(OC)c(CN(CCO)C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000187018475 1431591387 /nfs/dbraw/zinc/59/13/87/1431591387.db2.gz ZBORFSDDABQTEP-GOSISDBHSA-N 0 1 383.847 3.024 20 0 GGADMN Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000187028622 1431594741 /nfs/dbraw/zinc/59/47/41/1431594741.db2.gz LISFZIGRDFKHSW-UHFFFAOYSA-N 0 1 378.480 3.138 20 0 GGADMN CCO[C@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCCC3)o2)C1(CC)CC ZINC000187050537 1431599844 /nfs/dbraw/zinc/59/98/44/1431599844.db2.gz LNVXRYOKRUVAKS-IRXDYDNUSA-N 0 1 384.542 3.138 20 0 GGADMN O=C1CCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2N1CC1CC1 ZINC000187075722 1431606935 /nfs/dbraw/zinc/60/69/35/1431606935.db2.gz LTVRCPBDSTXZCV-UHFFFAOYSA-N 0 1 392.427 3.455 20 0 GGADMN COCC[S@](=O)Cc1cccc(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000187077406 1431607769 /nfs/dbraw/zinc/60/77/69/1431607769.db2.gz NPRKWGDHLFBQEY-SANMLTNESA-N 0 1 389.502 3.286 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187089373 1431611337 /nfs/dbraw/zinc/61/13/37/1431611337.db2.gz SAKWEIKEPIBKKO-JPYJTQIMSA-N 0 1 392.547 3.276 20 0 GGADMN Cc1oc2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)cc2c1C ZINC000187087362 1431611488 /nfs/dbraw/zinc/61/14/88/1431611488.db2.gz PXURMFWAPOOAKX-LJQANCHMSA-N 0 1 379.460 3.407 20 0 GGADMN CCCCc1nc2ccc(NC(=O)c3c(C)nn(C)c3-n3cccn3)cc2[nH]1 ZINC000187092077 1431612190 /nfs/dbraw/zinc/61/21/90/1431612190.db2.gz UTUIGBIMCHOMFY-UHFFFAOYSA-N 0 1 377.452 3.385 20 0 GGADMN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1O ZINC000187099779 1431615221 /nfs/dbraw/zinc/61/52/21/1431615221.db2.gz JYUZZTCLYSNYSW-PXAZEXFGSA-N 0 1 383.835 3.179 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000187104915 1431617027 /nfs/dbraw/zinc/61/70/27/1431617027.db2.gz HHSSEJREYUQWPA-WOSRLPQWSA-N 0 1 393.475 3.134 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)nc(C(F)(F)F)n1 ZINC000187113190 1431619284 /nfs/dbraw/zinc/61/92/84/1431619284.db2.gz BNPGHSDJMWCCQQ-CYBMUJFWSA-N 0 1 393.413 3.154 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)nc(C(F)(F)F)n1 ZINC000187113171 1431619792 /nfs/dbraw/zinc/61/97/92/1431619792.db2.gz BNPGHSDJMWCCQQ-ZDUSSCGKSA-N 0 1 393.413 3.154 20 0 GGADMN Cc1oc2ccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)cc2c1C ZINC000187115870 1431620142 /nfs/dbraw/zinc/62/01/42/1431620142.db2.gz ZTVDAKOCFZTRQF-INIZCTEOSA-N 0 1 385.489 3.469 20 0 GGADMN O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000187121895 1431622085 /nfs/dbraw/zinc/62/20/85/1431622085.db2.gz CZGFCAYLGRWZJM-VSKRKVRLSA-N 0 1 385.552 3.152 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N[C@@H](CCO)c1ccco1 ZINC000187121180 1431622277 /nfs/dbraw/zinc/62/22/77/1431622277.db2.gz GVTJADWFXZCAHH-ROUUACIJSA-N 0 1 391.899 3.493 20 0 GGADMN CN1C(=O)CCc2cc(CNCc3ccnc(OCC(F)(F)F)c3)ccc21 ZINC000187122753 1431622966 /nfs/dbraw/zinc/62/29/66/1431622966.db2.gz AIQLPOYRLOBTIB-UHFFFAOYSA-N 0 1 379.382 3.222 20 0 GGADMN Fc1cccc(F)c1-c1csc(CN2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000187132044 1431625998 /nfs/dbraw/zinc/62/59/98/1431625998.db2.gz SOZVOYJKLYOFNF-AWEZNQCLSA-N 0 1 379.476 3.242 20 0 GGADMN Cc1nc(SCCN2C(=O)c3ccccc3S2(=O)=O)[nH]c1-c1ccccc1 ZINC000187140331 1431628381 /nfs/dbraw/zinc/62/83/81/1431628381.db2.gz OPLNIPIEPIDUCC-UHFFFAOYSA-N 0 1 399.497 3.322 20 0 GGADMN COc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1F ZINC000187144181 1431629251 /nfs/dbraw/zinc/62/92/51/1431629251.db2.gz FLSAGIHZQRLITR-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1)C(=O)OC ZINC000187145384 1431630058 /nfs/dbraw/zinc/63/00/58/1431630058.db2.gz SSZHIISMRZBVQX-BLLLJJGKSA-N 0 1 375.494 3.181 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN(C)C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187146805 1431630810 /nfs/dbraw/zinc/63/08/10/1431630810.db2.gz ATGCWCFASBLTOJ-OAHLLOKOSA-N 0 1 380.916 3.177 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C)c(-c3ccccc3)[nH]2)CC1 ZINC000187155178 1431633030 /nfs/dbraw/zinc/63/30/30/1431633030.db2.gz YSBZRDCAHASFHY-CQSZACIVSA-N 0 1 387.505 3.277 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000187163874 1431635603 /nfs/dbraw/zinc/63/56/03/1431635603.db2.gz OQYNFWNEBQXFGE-GOSISDBHSA-N 0 1 397.544 3.436 20 0 GGADMN Cn1cc(CCNC(=O)CSc2n[nH]c(=S)s2)c2ccc(Cl)cc21 ZINC000187186303 1431640313 /nfs/dbraw/zinc/64/03/13/1431640313.db2.gz LYQQRQHJPNLADX-UHFFFAOYSA-N 0 1 398.966 3.423 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2nnc(SCc3ccccc3)s2)C1(C)C ZINC000187205086 1431647460 /nfs/dbraw/zinc/64/74/60/1431647460.db2.gz KOQDORPXYXBLFC-SCLBCKFNSA-N 0 1 392.550 3.301 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC000187226429 1431655282 /nfs/dbraw/zinc/65/52/82/1431655282.db2.gz BTCKRUDXEFTSLC-VGOFRKELSA-N 0 1 397.523 3.143 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000187225454 1431655356 /nfs/dbraw/zinc/65/53/56/1431655356.db2.gz CQUKQPBFWCBGSP-WMZOPIPTSA-N 0 1 399.457 3.086 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC000187226407 1431655773 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CCN(CC)[C@@H](C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1 ZINC000187406032 1431721000 /nfs/dbraw/zinc/72/10/00/1431721000.db2.gz XNQUNTMQYZLDQY-VQIMIIECSA-N 0 1 375.513 3.053 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000187407680 1431721390 /nfs/dbraw/zinc/72/13/90/1431721390.db2.gz NKTLRASWKOGURE-SJORKVTESA-N 0 1 377.529 3.021 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000187407510 1431721408 /nfs/dbraw/zinc/72/14/08/1431721408.db2.gz BPGGVVFZMDGDAE-IRXDYDNUSA-N 0 1 377.529 3.021 20 0 GGADMN C[C@@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)N1CCc2ccccc2C1 ZINC000187422362 1431725459 /nfs/dbraw/zinc/72/54/59/1431725459.db2.gz VLZVFIXPIDANRJ-SFHVURJKSA-N 0 1 396.506 3.169 20 0 GGADMN Cc1ncsc1/C=C/C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000187427812 1431726958 /nfs/dbraw/zinc/72/69/58/1431726958.db2.gz ZFSBCZXOGLMYSF-FHQWLQQXSA-N 0 1 385.533 3.390 20 0 GGADMN COC1(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000187441589 1431731176 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CCO[C@H]1C[C@](N)(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1(C)C ZINC000187942725 1431829939 /nfs/dbraw/zinc/82/99/39/1431829939.db2.gz AGKJOLNXZICVOE-LPHOPBHVSA-N 0 1 376.888 3.056 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cccc(CSc2ccccn2)c1 ZINC000187992094 1431834294 /nfs/dbraw/zinc/83/42/94/1431834294.db2.gz BFTWQSGUHXMAMR-UHFFFAOYSA-N 0 1 386.521 3.218 20 0 GGADMN O=C(N1CCN(C2CCOCC2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188000880 1431835308 /nfs/dbraw/zinc/83/53/08/1431835308.db2.gz HDDHSNHLCDTQFL-UHFFFAOYSA-N 0 1 396.453 3.351 20 0 GGADMN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000188001544 1431835317 /nfs/dbraw/zinc/83/53/17/1431835317.db2.gz LMDCNQBRVJNAAJ-GUDVDZBRSA-N 0 1 377.916 3.171 20 0 GGADMN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000188003666 1431835674 /nfs/dbraw/zinc/83/56/74/1431835674.db2.gz GZHQQWVCBTUCKN-VSKRKVRLSA-N 0 1 379.504 3.235 20 0 GGADMN CC(C)n1nccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000188006263 1431835902 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CCn1c(=O)c2ccc(-c3nc(COc4cccc(F)c4)no3)cc2[nH]c1=S ZINC000188113985 1431848438 /nfs/dbraw/zinc/84/84/38/1431848438.db2.gz AJVDPAQOCOGMOY-UHFFFAOYSA-N 0 1 398.419 3.473 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)NCCN3CCc4ccccc4C3)c21 ZINC000188117718 1431848909 /nfs/dbraw/zinc/84/89/09/1431848909.db2.gz KLJWSHFEDSOXCC-UHFFFAOYSA-N 0 1 377.488 3.284 20 0 GGADMN C[C@H](NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nnc[nH]1 ZINC000188122779 1431849678 /nfs/dbraw/zinc/84/96/78/1431849678.db2.gz HITOHXRFPGHUKU-VIFPVBQESA-N 0 1 395.250 3.362 20 0 GGADMN Cn1ccc2cccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)c21 ZINC000188133054 1431851099 /nfs/dbraw/zinc/85/10/99/1431851099.db2.gz PDUWCIIYNFADGL-UHFFFAOYSA-N 0 1 378.457 3.206 20 0 GGADMN Cc1noc(C)c1CN1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)CC1 ZINC000188142570 1431852401 /nfs/dbraw/zinc/85/24/01/1431852401.db2.gz LHODVKXTEYIPMK-UHFFFAOYSA-N 0 1 393.491 3.256 20 0 GGADMN COc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(OC(C)C)c1 ZINC000188145275 1431852711 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20 0 GGADMN COc1ccc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1OC ZINC000188184329 1431858037 /nfs/dbraw/zinc/85/80/37/1431858037.db2.gz MXMDCQBISDYYFZ-AWEZNQCLSA-N 0 1 378.469 3.471 20 0 GGADMN C[C@@H]1CN(C(=O)CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CCO1 ZINC000188192521 1431858809 /nfs/dbraw/zinc/85/88/09/1431858809.db2.gz FFZKCUHRYIXCOH-PXAZEXFGSA-N 0 1 399.304 3.266 20 0 GGADMN O=C(NCc1cccnc1-n1cccn1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188208487 1431860527 /nfs/dbraw/zinc/86/05/27/1431860527.db2.gz CYBNOTZZJUCLPR-UHFFFAOYSA-N 0 1 384.852 3.302 20 0 GGADMN Cc1cc(OCc2ccccc2)ccc1NC(=O)NCCN1CCCOCC1 ZINC000188208113 1431860652 /nfs/dbraw/zinc/86/06/52/1431860652.db2.gz NIGAFCTZJGSWSO-UHFFFAOYSA-N 0 1 383.492 3.418 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)nc(C(F)(F)F)n1 ZINC000188213294 1431861544 /nfs/dbraw/zinc/86/15/44/1431861544.db2.gz MDNROUNMMTYUMY-HNNXBMFYSA-N 0 1 378.398 3.198 20 0 GGADMN C[C@@H](NC(=O)N1CCSCC[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000188218175 1431862028 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O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1[nH]nc2c1CNCC2 ZINC000188257139 1431866396 /nfs/dbraw/zinc/86/63/96/1431866396.db2.gz AVIAYTLAUMOTHX-QDAZHVTCSA-N 0 1 384.483 3.083 20 0 GGADMN Cc1ccc(CN(CCc2ccccc2)C(=O)c2[nH]nc3c2CNCC3)s1 ZINC000188264009 1431866891 /nfs/dbraw/zinc/86/68/91/1431866891.db2.gz LBMQOQYBDXFVBM-UHFFFAOYSA-N 0 1 380.517 3.310 20 0 GGADMN C[C@@H](CNC(=O)CCOCC(F)(F)C(F)(F)F)N1CCc2ccccc2C1 ZINC000188266861 1431867382 /nfs/dbraw/zinc/86/73/82/1431867382.db2.gz LNFLJCVKEQIPAB-ZDUSSCGKSA-N 0 1 394.384 3.154 20 0 GGADMN Cc1noc(C)c1CN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000188273328 1431868117 /nfs/dbraw/zinc/86/81/17/1431868117.db2.gz ZXJUBPLUCYSEDX-UHFFFAOYSA-N 0 1 393.491 3.256 20 0 GGADMN O=C1C[C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000188280788 1431869209 /nfs/dbraw/zinc/86/92/09/1431869209.db2.gz JHTGIDBQMIJPEI-UTKZUKDTSA-N 0 1 378.451 3.277 20 0 GGADMN COc1cccc(C(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)cc2)c1 ZINC000188301359 1431871086 /nfs/dbraw/zinc/87/10/86/1431871086.db2.gz LDEZRBPXYKFPKY-DNVCBOLYSA-N 0 1 378.472 3.281 20 0 GGADMN CC[C@@H](CN(CC)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)c1ccccc1 ZINC000188303176 1431871143 /nfs/dbraw/zinc/87/11/43/1431871143.db2.gz KIYNJYUZNBOJDF-UNMCSNQZSA-N 0 1 388.600 3.484 20 0 GGADMN Cc1cc(I)ccc1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188303603 1431871168 /nfs/dbraw/zinc/87/11/68/1431871168.db2.gz CFRWTAWLRPFSLM-UHFFFAOYSA-N 0 1 395.244 3.383 20 0 GGADMN COc1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)cc1OCc1cccnc1 ZINC000188309627 1431871746 /nfs/dbraw/zinc/87/17/46/1431871746.db2.gz VPMLVAXIAKHIBH-UHFFFAOYSA-N 0 1 392.459 3.452 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCC3)cc1 ZINC000188330283 1431873821 /nfs/dbraw/zinc/87/38/21/1431873821.db2.gz OFETYJOTMJUENY-UHFFFAOYSA-N 0 1 386.502 3.414 20 0 GGADMN Cc1ccnc(Oc2cc(NC(=O)NCCN3CCCOCC3)ccc2C)c1 ZINC000188335168 1431874288 /nfs/dbraw/zinc/87/42/88/1431874288.db2.gz WQDOKHCFEJEOBK-UHFFFAOYSA-N 0 1 384.480 3.335 20 0 GGADMN CC(C)(C)OC(=O)N1CC=C(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000188336933 1431874485 /nfs/dbraw/zinc/87/44/85/1431874485.db2.gz KIZWEEIZKVWVNM-HXUWFJFHSA-N 0 1 399.535 3.334 20 0 GGADMN O=C(NCCCCCc1ccc(F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000188345739 1431875440 /nfs/dbraw/zinc/87/54/40/1431875440.db2.gz HKCRDRJIVHSCHN-FQEVSTJZSA-N 0 1 391.531 3.292 20 0 GGADMN O=C(NCCCCCc1ccc(F)cc1)N1CCN(C2CCOCC2)CC1 ZINC000188347225 1431875609 /nfs/dbraw/zinc/87/56/09/1431875609.db2.gz WDULAPYNIPMCGJ-UHFFFAOYSA-N 0 1 377.504 3.045 20 0 GGADMN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188348669 1431875913 /nfs/dbraw/zinc/87/59/13/1431875913.db2.gz BZQRDFQIEIAKKL-GFCCVEGCSA-N 0 1 381.398 3.434 20 0 GGADMN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000188352538 1431876172 /nfs/dbraw/zinc/87/61/72/1431876172.db2.gz VPFHQFCZWCSFLZ-UHFFFAOYSA-N 0 1 392.455 3.420 20 0 GGADMN CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000188351717 1431876211 /nfs/dbraw/zinc/87/62/11/1431876211.db2.gz RSJBDRSMHWZUPT-UHFFFAOYSA-N 0 1 389.521 3.461 20 0 GGADMN C[C@H](Cc1cccc(Br)c1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188360739 1431876799 /nfs/dbraw/zinc/87/67/99/1431876799.db2.gz UZHQCSCXONSOTP-GFCCVEGCSA-N 0 1 376.298 3.341 20 0 GGADMN CCCCCOc1ccc([C@H](C)NC(=O)c2[nH]nc3c2CNCC3)cc1OC ZINC000188366142 1431877574 /nfs/dbraw/zinc/87/75/74/1431877574.db2.gz YHLNWHGVUSRRSR-AWEZNQCLSA-N 0 1 386.496 3.124 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188370616 1431877961 /nfs/dbraw/zinc/87/79/61/1431877961.db2.gz QLRRWHAFFYXCPN-XLIONFOSSA-N 0 1 394.519 3.380 20 0 GGADMN CCN(C)[C@@H](C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000188372560 1431878235 /nfs/dbraw/zinc/87/82/35/1431878235.db2.gz HFHIGKRLJJZDLU-LJQANCHMSA-N 0 1 387.524 3.363 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN[C@H](C)C3)c3cnn(C(C)C)c3n2)s1 ZINC000188383286 1431879354 /nfs/dbraw/zinc/87/93/54/1431879354.db2.gz FHKTZSVACKBLON-CYBMUJFWSA-N 0 1 383.521 3.483 20 0 GGADMN CCOC(C)(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000188393656 1431880474 /nfs/dbraw/zinc/88/04/74/1431880474.db2.gz BTPZHAKVXXZGJX-INIZCTEOSA-N 0 1 394.535 3.143 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188397020 1431880847 /nfs/dbraw/zinc/88/08/47/1431880847.db2.gz VRYVAFBPVBMTDT-HOCLYGCPSA-N 0 1 390.528 3.031 20 0 GGADMN CCC(CC)(CNC(=O)Cc1n[nH]c2c1CCCC2)NC(=O)OC(C)(C)C ZINC000188404195 1431881477 /nfs/dbraw/zinc/88/14/77/1431881477.db2.gz WNBQQOKVLCBQST-UHFFFAOYSA-N 0 1 378.517 3.031 20 0 GGADMN COc1ccc(CNC(=O)Cc2n[nH]c3c2CCCC3)c(OC2CCCC2)c1 ZINC000188408570 1431881893 /nfs/dbraw/zinc/88/18/93/1431881893.db2.gz DDYHADRFHLOGIJ-UHFFFAOYSA-N 0 1 383.492 3.477 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(CC(N)=O)[C@H](C)c3ccccc3)n[nH]2)cc1C ZINC000188415530 1431882365 /nfs/dbraw/zinc/88/23/65/1431882365.db2.gz KVJLSYADMCIRFZ-MRXNPFEDSA-N 0 1 376.460 3.382 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)Cc2n[nH]c3c2CCCC3)n(-c2ccccc2)n1 ZINC000188428066 1431883225 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CCSc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000188519296 1431891177 /nfs/dbraw/zinc/89/11/77/1431891177.db2.gz AMCLMDHDOWHBSQ-HZPDHXFCSA-N 0 1 379.570 3.346 20 0 GGADMN O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1[nH]nc2c1CNCC2 ZINC000188527236 1431892026 /nfs/dbraw/zinc/89/20/26/1431892026.db2.gz WPLRLOGMVGGSSG-HNNXBMFYSA-N 0 1 397.479 3.125 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCc1nn(C)c2ccccc12)c1ccco1 ZINC000188535211 1431892946 /nfs/dbraw/zinc/89/29/46/1431892946.db2.gz ZWAQRAYWTTUFGI-LJQANCHMSA-N 0 1 383.496 3.091 20 0 GGADMN O=C(CCc1cnc[nH]1)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000188554810 1431894707 /nfs/dbraw/zinc/89/47/07/1431894707.db2.gz NCCAARCSAZJJHL-UHFFFAOYSA-N 0 1 392.459 3.057 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC(N4CCCCC4=O)CC3)n[nH]2)cc1C ZINC000188615501 1431901703 /nfs/dbraw/zinc/90/17/03/1431901703.db2.gz WJHTXHHPOZNBNI-UHFFFAOYSA-N 0 1 380.492 3.311 20 0 GGADMN COc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1-c1ccccc1 ZINC000188616254 1431903489 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CCOc1cnc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000188685025 1431932420 /nfs/dbraw/zinc/93/24/20/1431932420.db2.gz OSLLUENVWOHQII-GFCCVEGCSA-N 0 1 379.203 3.143 20 0 GGADMN C[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3F)o2)CCN1CC(C)(C)O ZINC000188690093 1431934140 /nfs/dbraw/zinc/93/41/40/1431934140.db2.gz CNLIFBBRCJBVCL-INIZCTEOSA-N 0 1 388.483 3.322 20 0 GGADMN CCN(C[C@H]1CCN(CN2CC[C@@](C)(c3ccccc3)C2=O)C1)CC(F)(F)F ZINC000188693845 1431935522 /nfs/dbraw/zinc/93/55/22/1431935522.db2.gz FPIKANPTHRZSBH-XLIONFOSSA-N 0 1 397.485 3.340 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1OCC ZINC000188723684 1431946966 /nfs/dbraw/zinc/94/69/66/1431946966.db2.gz WFBQFQHEZDCPNN-KRWDZBQOSA-N 0 1 392.540 3.181 20 0 GGADMN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc(Br)o2)c1 ZINC000188728597 1431948930 /nfs/dbraw/zinc/94/89/30/1431948930.db2.gz WYUPWSBYESLGCA-NSHDSACASA-N 0 1 395.253 3.336 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000188732643 1431950579 /nfs/dbraw/zinc/95/05/79/1431950579.db2.gz UXAGTUYJPFUZKH-MRXNPFEDSA-N 0 1 387.911 3.091 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000188736606 1431951798 /nfs/dbraw/zinc/95/17/98/1431951798.db2.gz HITMLCIXYKKYDT-NRFANRHFSA-N 0 1 395.503 3.044 20 0 GGADMN Cc1ccccc1-n1ncc(C(=O)N2CCN(C3CCOCC3)CC2)c1C(C)C ZINC000188744134 1431954813 /nfs/dbraw/zinc/95/48/13/1431954813.db2.gz FWKTWYZBCPTJIC-UHFFFAOYSA-N 0 1 396.535 3.241 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000188755154 1431959416 /nfs/dbraw/zinc/95/94/16/1431959416.db2.gz RUSTZJKHLMPQKW-UHFFFAOYSA-N 0 1 376.501 3.198 20 0 GGADMN Cc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1Oc1ccncc1 ZINC000188758874 1431961902 /nfs/dbraw/zinc/96/19/02/1431961902.db2.gz OPOGJRNEVNHIAI-QGZVFWFLSA-N 0 1 383.492 3.100 20 0 GGADMN Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3(c4nnc[nH]4)CCC3)cc12 ZINC000188761921 1431963489 /nfs/dbraw/zinc/96/34/89/1431963489.db2.gz IPNSWMZVQHVEFV-UHFFFAOYSA-N 0 1 392.488 3.382 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(SC)CC3)CC2)c1C ZINC000188766563 1431965751 /nfs/dbraw/zinc/96/57/51/1431965751.db2.gz LRSWXMLFSAIKED-UHFFFAOYSA-N 0 1 377.554 3.025 20 0 GGADMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000188788591 1431975866 /nfs/dbraw/zinc/97/58/66/1431975866.db2.gz KEAOPJMZYGHUHW-UHFFFAOYSA-N 0 1 376.344 3.103 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCCC2(CCCCC2)CC1 ZINC000188798286 1431979129 /nfs/dbraw/zinc/97/91/29/1431979129.db2.gz WRKOUAPNRLWAMZ-UHFFFAOYSA-N 0 1 395.507 3.041 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)Cc3n[nH]c4c3CCCC4)cn2)c1 ZINC000188807561 1431983494 /nfs/dbraw/zinc/98/34/94/1431983494.db2.gz ATNBPXWYGIDZNP-UHFFFAOYSA-N 0 1 392.459 3.343 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2n[nH]c3c2CCCC3)C[C@H](C)O1 ZINC000188807790 1431983593 /nfs/dbraw/zinc/98/35/93/1431983593.db2.gz ZNVJYOFRLDJEJJ-IYBDPMFKSA-N 0 1 382.508 3.079 20 0 GGADMN N#Cc1ccc(Cc2cnc(NC(=O)Cc3n[nH]c4c3CCCC4)s2)cc1 ZINC000188810935 1431986685 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Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)nc3)[nH]n2)c(C)c1 ZINC000188906861 1432006211 /nfs/dbraw/zinc/00/62/11/1432006211.db2.gz LNBVCMCUMVXRTD-UHFFFAOYSA-N 0 1 377.448 3.177 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 ZINC000188917653 1432008494 /nfs/dbraw/zinc/00/84/94/1432008494.db2.gz GKNGRJNSVXHMLP-UHFFFAOYSA-N 0 1 394.880 3.419 20 0 GGADMN O=C(NOCc1ccc(F)cc1Br)c1ccc(-c2nnc[nH]2)cc1 ZINC000188921849 1432009320 /nfs/dbraw/zinc/00/93/20/1432009320.db2.gz AOPGTYNLRWZGDO-UHFFFAOYSA-N 0 1 391.200 3.235 20 0 GGADMN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1n[nH]nc1-c1ccccc1 ZINC000188945556 1432014269 /nfs/dbraw/zinc/01/42/69/1432014269.db2.gz KMJWFWMCZIPEOE-UHFFFAOYSA-N 0 1 390.365 3.481 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000188953167 1432015820 /nfs/dbraw/zinc/01/58/20/1432015820.db2.gz VSUILTCPOBSUQK-UHFFFAOYSA-N 0 1 375.432 3.117 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC000188977079 1432020097 /nfs/dbraw/zinc/02/00/97/1432020097.db2.gz RIIAWXOGCSALHP-INIZCTEOSA-N 0 1 385.468 3.278 20 0 GGADMN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC000188992755 1432023333 /nfs/dbraw/zinc/02/33/33/1432023333.db2.gz RYNUWLLEMGEVCY-IUODEOHRSA-N 0 1 378.398 3.140 20 0 GGADMN O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC000188992730 1432023532 /nfs/dbraw/zinc/02/35/32/1432023532.db2.gz RYNUWLLEMGEVCY-SWLSCSKDSA-N 0 1 378.398 3.140 20 0 GGADMN COCc1cccc(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000189000147 1432024799 /nfs/dbraw/zinc/02/47/99/1432024799.db2.gz PSDVRAREIFMBFS-RTBURBONSA-N 0 1 396.531 3.301 20 0 GGADMN COCc1cccc(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000189000096 1432024813 /nfs/dbraw/zinc/02/48/13/1432024813.db2.gz PSDVRAREIFMBFS-KDURUIRLSA-N 0 1 396.531 3.301 20 0 GGADMN CCc1nn(C)c(CC)c1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000189008957 1432026363 /nfs/dbraw/zinc/02/63/63/1432026363.db2.gz SQPLIKKWLZZOAJ-UHFFFAOYSA-N 0 1 386.515 3.007 20 0 GGADMN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1n[nH]nc1-c1ccccc1 ZINC000189019894 1432028096 /nfs/dbraw/zinc/02/80/96/1432028096.db2.gz MNRSTKAVBUUYSO-UHFFFAOYSA-N 0 1 394.822 3.148 20 0 GGADMN Fc1ccc(Cn2cc(CNCc3ccc(Cn4cncn4)cc3)cn2)cc1 ZINC000189023799 1432029029 /nfs/dbraw/zinc/02/90/29/1432029029.db2.gz WTDZBPAWFFWQLP-UHFFFAOYSA-N 0 1 376.439 3.000 20 0 GGADMN O=C1CCCN1Cc1ccccc1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189035168 1432031438 /nfs/dbraw/zinc/03/14/38/1432031438.db2.gz KXNGKFBYDBUPSE-UHFFFAOYSA-N 0 1 392.478 3.483 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCOC[C@H]3c3nc(C)cs3)n[nH]2)c1 ZINC000189036337 1432031794 /nfs/dbraw/zinc/03/17/94/1432031794.db2.gz MNIUUZWNPMLASB-KRWDZBQOSA-N 0 1 384.461 3.064 20 0 GGADMN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1n[nH]nc1-c1ccccc1 ZINC000189044470 1432033622 /nfs/dbraw/zinc/03/36/22/1432033622.db2.gz UNDLZYNAPVQPIR-UHFFFAOYSA-N 0 1 375.432 3.140 20 0 GGADMN C[C@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000189044748 1432033995 /nfs/dbraw/zinc/03/39/95/1432033995.db2.gz KKLWPRINOBIDPB-KKSFZXQISA-N 0 1 395.478 3.404 20 0 GGADMN COc1ccc(CNCCN2CCc3ccccc3C2=O)c(OC(F)F)c1 ZINC000189050822 1432034766 /nfs/dbraw/zinc/03/47/66/1432034766.db2.gz ZEGVDSMHNYNFHD-UHFFFAOYSA-N 0 1 376.403 3.085 20 0 GGADMN CCCN(C(=O)C(=O)Nc1ccc(C)nc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000189050958 1432034784 /nfs/dbraw/zinc/03/47/84/1432034784.db2.gz WBXCUCDRMMPRSL-OAQYLSRUSA-N 0 1 394.519 3.232 20 0 GGADMN CCCN(C(=O)C(=O)Nc1ccc(F)nc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000189051618 1432035166 /nfs/dbraw/zinc/03/51/66/1432035166.db2.gz ZRENTMQRXSXZIQ-LJQANCHMSA-N 0 1 398.482 3.062 20 0 GGADMN C[C@H](CN(C)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nn[nH]n1 ZINC000189084111 1432041467 /nfs/dbraw/zinc/04/14/67/1432041467.db2.gz YTETYBLLCJGQEQ-SECBINFHSA-N 0 1 387.793 3.166 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000189083717 1432041663 /nfs/dbraw/zinc/04/16/63/1432041663.db2.gz QDYGINSRQPLXNI-MSOLQXFVSA-N 0 1 396.535 3.296 20 0 GGADMN C[C@H](CN(C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nn[nH]n1 ZINC000189084397 1432042148 /nfs/dbraw/zinc/04/21/48/1432042148.db2.gz XHWNVIXPWJMAME-SNVBAGLBSA-N 0 1 395.341 3.234 20 0 GGADMN C[C@@H](CN(C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)c1nn[nH]n1 ZINC000189084374 1432042162 /nfs/dbraw/zinc/04/21/62/1432042162.db2.gz XHWNVIXPWJMAME-JTQLQIEISA-N 0 1 395.341 3.234 20 0 GGADMN COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189089567 1432042884 /nfs/dbraw/zinc/04/28/84/1432042884.db2.gz XTJIVJWFRYQBST-HKUYNNGSSA-N 0 1 391.556 3.269 20 0 GGADMN CC(C)c1nnc2ccc(NC(=O)CCN3CCN(c4ccccc4)CC3)cn21 ZINC000189088619 1432042896 /nfs/dbraw/zinc/04/28/96/1432042896.db2.gz MCZJWUXNFPWNKY-UHFFFAOYSA-N 0 1 392.507 3.004 20 0 GGADMN Fc1ccc(Cn2cc(CNCc3ccccc3N3CCOCC3)cn2)cc1 ZINC000189090016 1432043314 /nfs/dbraw/zinc/04/33/14/1432043314.db2.gz GWAFTTCKEXPXHG-UHFFFAOYSA-N 0 1 380.467 3.197 20 0 GGADMN Nn1c(SCC[C@@H]2CCCO2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000189096337 1432044658 /nfs/dbraw/zinc/04/46/58/1432044658.db2.gz QBHLCBRWDMOTAM-ZDUSSCGKSA-N 0 1 390.900 3.364 20 0 GGADMN O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1ccc(O)c(Cl)c1 ZINC000189112981 1432047017 /nfs/dbraw/zinc/04/70/17/1432047017.db2.gz GAVWGBBPTNKTRL-UHFFFAOYSA-N 0 1 386.589 3.473 20 0 GGADMN CCC1(CC)CCCN(C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)CC1 ZINC000189127294 1432049350 /nfs/dbraw/zinc/04/93/50/1432049350.db2.gz GDPOIIMHKBTPDS-UHFFFAOYSA-N 0 1 399.421 3.145 20 0 GGADMN CCOC(=O)[C@](C)(CNC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000189158282 1432054390 /nfs/dbraw/zinc/05/43/90/1432054390.db2.gz VCNSHJJTNWWNGV-HSZRJFAPSA-N 0 1 393.487 3.441 20 0 GGADMN CCN(C[C@@H]1CCN(CN2C[C@H](CC(C)(C)C)CC2=O)C1)CC(F)(F)F ZINC000189162258 1432055733 /nfs/dbraw/zinc/05/57/33/1432055733.db2.gz BQUJNCRRVGRVOP-HOTGVXAUSA-N 0 1 377.495 3.435 20 0 GGADMN CC[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1OC(F)F ZINC000189167666 1432056678 /nfs/dbraw/zinc/05/66/78/1432056678.db2.gz NZSZJKZOQORWRE-KRWDZBQOSA-N 0 1 399.459 3.295 20 0 GGADMN Cc1ccc(OC(F)F)c([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000189175808 1432058162 /nfs/dbraw/zinc/05/81/62/1432058162.db2.gz WAYFYLGOWFJVIS-AWEZNQCLSA-N 0 1 399.459 3.213 20 0 GGADMN Cc1cc(-c2ncccc2NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cs1 ZINC000189193184 1432061155 /nfs/dbraw/zinc/06/11/55/1432061155.db2.gz GUBDCYUJGSZOJO-MRXNPFEDSA-N 0 1 386.521 3.305 20 0 GGADMN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1n[nH]nc1-c1ccccc1 ZINC000189201745 1432062079 /nfs/dbraw/zinc/06/20/79/1432062079.db2.gz DTYVBNMXBBVYBP-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CN2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000189220253 1432065517 /nfs/dbraw/zinc/06/55/17/1432065517.db2.gz BEGNHAHPZFGXSD-QFBILLFUSA-N 0 1 390.524 3.162 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCCc4c(O)cccc43)n2)cc1 ZINC000189236769 1432068741 /nfs/dbraw/zinc/06/87/41/1432068741.db2.gz UMFDLMVVIUDBIN-QGZVFWFLSA-N 0 1 393.447 3.063 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCCc4c(O)cccc43)n[nH]2)cc1 ZINC000189236769 1432068749 /nfs/dbraw/zinc/06/87/49/1432068749.db2.gz UMFDLMVVIUDBIN-QGZVFWFLSA-N 0 1 393.447 3.063 20 0 GGADMN O=C(c1c[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000189243640 1432070195 /nfs/dbraw/zinc/07/01/95/1432070195.db2.gz WLSGBTPEZVMOQD-MRXNPFEDSA-N 0 1 399.454 3.333 20 0 GGADMN Cc1ccc(N2CC[C@H](NCc3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000189246423 1432070647 /nfs/dbraw/zinc/07/06/47/1432070647.db2.gz OTZZIMKMGPJEQM-NRFANRHFSA-N 0 1 378.451 3.274 20 0 GGADMN COc1ccc(CNC(=O)[C@H](C)N(C)CC2(c3ccccc3)CC2)cc1OC ZINC000189293062 1432080599 /nfs/dbraw/zinc/08/05/99/1432080599.db2.gz JVVJSPVSXQSNDZ-KRWDZBQOSA-N 0 1 382.504 3.372 20 0 GGADMN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000189304843 1432082507 /nfs/dbraw/zinc/08/25/07/1432082507.db2.gz ZASDAHYSSYTMJG-UHFFFAOYSA-N 0 1 385.214 3.275 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(F)cc1F ZINC000189315780 1432084555 /nfs/dbraw/zinc/08/45/55/1432084555.db2.gz OEMMTNIKFOBOJC-KBXCAEBGSA-N 0 1 383.483 3.149 20 0 GGADMN CCC[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccc(F)cc1F ZINC000189316371 1432084685 /nfs/dbraw/zinc/08/46/85/1432084685.db2.gz YKAWBNZJNHTHPA-RDTXWAMCSA-N 0 1 383.483 3.293 20 0 GGADMN Cc1cccc(N2CCN(CCC(=O)Nc3cnn([C@@H](C)C4CC4)c3)CC2)c1 ZINC000189341625 1432089916 /nfs/dbraw/zinc/08/99/16/1432089916.db2.gz NBAYVBHLHATWFK-SFHVURJKSA-N 0 1 381.524 3.313 20 0 GGADMN CN(C)c1cccc(CCC(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC000189363263 1432093447 /nfs/dbraw/zinc/09/34/47/1432093447.db2.gz QOCKDVOIPSSLBA-UHFFFAOYSA-N 0 1 381.520 3.281 20 0 GGADMN FC(F)(F)C(F)(F)COCCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000189363522 1432093765 /nfs/dbraw/zinc/09/37/65/1432093765.db2.gz ITUNVDYAHOOZSM-LBPRGKRZSA-N 0 1 378.345 3.123 20 0 GGADMN FC(F)(F)C(F)(F)COCCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000189363500 1432093886 /nfs/dbraw/zinc/09/38/86/1432093886.db2.gz ITUNVDYAHOOZSM-GFCCVEGCSA-N 0 1 378.345 3.123 20 0 GGADMN O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1n[nH]nc1-c1ccccc1 ZINC000189369222 1432094715 /nfs/dbraw/zinc/09/47/15/1432094715.db2.gz IIMNRZUWUUSNIV-CQSZACIVSA-N 0 1 377.231 3.242 20 0 GGADMN COc1ccc2c(c1NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1)CCC2 ZINC000189398769 1432098920 /nfs/dbraw/zinc/09/89/20/1432098920.db2.gz TUMOBRKPPIGBRU-UHFFFAOYSA-N 0 1 378.425 3.082 20 0 GGADMN COc1ccc2c(c1NS(=O)(=O)c1ccc3c(c1)C(C)(C)C(=O)N3)CCC2 ZINC000189402621 1432099475 /nfs/dbraw/zinc/09/94/75/1432099475.db2.gz GNOCTTNHGXVFIP-UHFFFAOYSA-N 0 1 386.473 3.214 20 0 GGADMN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)CCO2)n1 ZINC000189402308 1432099523 /nfs/dbraw/zinc/09/95/23/1432099523.db2.gz BNJXDVNJUUWSLC-GOSISDBHSA-N 0 1 393.491 3.048 20 0 GGADMN O=C(COc1ccc(-c2ccccc2)cc1Cl)NCCN1CCCOCC1 ZINC000189434742 1432109746 /nfs/dbraw/zinc/10/97/46/1432109746.db2.gz XPYOLQJSHNTZRR-UHFFFAOYSA-N 0 1 388.895 3.224 20 0 GGADMN O=C([C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1F)N1CCOCC1 ZINC000189434927 1432110389 /nfs/dbraw/zinc/11/03/89/1432110389.db2.gz MCDMLSPDMFFPRJ-LJQANCHMSA-N 0 1 376.859 3.039 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000189453581 1432116812 /nfs/dbraw/zinc/11/68/12/1432116812.db2.gz ARNJLVVZNSAGSJ-SJORKVTESA-N 0 1 385.533 3.185 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)C1 ZINC000189454920 1432117270 /nfs/dbraw/zinc/11/72/70/1432117270.db2.gz OZVHZOBPJDESQT-QGZVFWFLSA-N 0 1 382.508 3.462 20 0 GGADMN O=C(CCCCCc1ccc(F)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000189462208 1432120447 /nfs/dbraw/zinc/12/04/47/1432120447.db2.gz OUBHKNYSVFMLBM-HXUWFJFHSA-N 0 1 376.516 3.499 20 0 GGADMN Cc1ccc(-c2ncccc2NC(=O)N2CCN(C3CCOCC3)CC2)s1 ZINC000189463563 1432121343 /nfs/dbraw/zinc/12/13/43/1432121343.db2.gz DSFVYQXAVUKPII-UHFFFAOYSA-N 0 1 386.521 3.447 20 0 GGADMN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCCN1CCCOCC1 ZINC000189466047 1432122117 /nfs/dbraw/zinc/12/21/17/1432122117.db2.gz CMGNQCIFBSASHF-GORDUTHDSA-N 0 1 376.806 3.211 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000189466092 1432122313 /nfs/dbraw/zinc/12/23/13/1432122313.db2.gz BVAHVXNTWJEQFC-LJQANCHMSA-N 0 1 393.616 3.257 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000189476856 1432127452 /nfs/dbraw/zinc/12/74/52/1432127452.db2.gz DESVDASCGQKNKB-CYBMUJFWSA-N 0 1 381.492 3.365 20 0 GGADMN CN(C)C(=O)[C@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1 ZINC000189477478 1432127549 /nfs/dbraw/zinc/12/75/49/1432127549.db2.gz CDCPQOITBHZBMZ-KZNAEPCWSA-N 0 1 375.513 3.241 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000189480906 1432129072 /nfs/dbraw/zinc/12/90/72/1432129072.db2.gz KOLBIBONXKFKSD-ZIAGYGMSSA-N 0 1 394.516 3.336 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nc2ccccc2c(=O)[nH]1 ZINC000189481239 1432129922 /nfs/dbraw/zinc/12/99/22/1432129922.db2.gz SJTBQECVCWGRSE-IAOVAPTHSA-N 0 1 386.496 3.410 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NCc1nnc2n1c1ccccc1c(=O)n2CC ZINC000189485944 1432131509 /nfs/dbraw/zinc/13/15/09/1432131509.db2.gz BJXSNAWXUXGIMR-DOTOQJQBSA-N 0 1 385.537 3.218 20 0 GGADMN COCCO[C@@H]1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000189487890 1432132143 /nfs/dbraw/zinc/13/21/43/1432132143.db2.gz PQTBTUFIPINDDK-JOCHJYFZSA-N 0 1 382.504 3.196 20 0 GGADMN CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000189487823 1432132477 /nfs/dbraw/zinc/13/24/77/1432132477.db2.gz QBUFKTUIBNXVGY-RYUDHWBXSA-N 0 1 395.550 3.234 20 0 GGADMN CCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)C[C@H](O)C(F)(F)F ZINC000189533734 1432151565 /nfs/dbraw/zinc/15/15/65/1432151565.db2.gz NILUYLPDKNVTSI-AWEZNQCLSA-N 0 1 375.366 3.362 20 0 GGADMN CCCN1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000189557999 1432158359 /nfs/dbraw/zinc/15/83/59/1432158359.db2.gz LEUCWOYBIQPSGP-HNNXBMFYSA-N 0 1 381.904 3.315 20 0 GGADMN C[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)[C@@H](C)C1 ZINC000189560979 1432159596 /nfs/dbraw/zinc/15/95/96/1432159596.db2.gz QBZIUFIELWTOET-ZWKOTPCHSA-N 0 1 399.560 3.163 20 0 GGADMN FC(F)COCCN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000189586808 1432167880 /nfs/dbraw/zinc/16/78/80/1432167880.db2.gz KIDYKYGLIGLQOS-LLVKDONJSA-N 0 1 378.345 3.209 20 0 GGADMN Cn1c2ccccc2nc1C(C)(C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189587076 1432168345 /nfs/dbraw/zinc/16/83/45/1432168345.db2.gz UZARYFSVROEULQ-UHFFFAOYSA-N 0 1 399.426 3.474 20 0 GGADMN C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000189605960 1432173684 /nfs/dbraw/zinc/17/36/84/1432173684.db2.gz HICVYDLLQWBCNK-NSHDSACASA-N 0 1 387.390 3.056 20 0 GGADMN O=C(CN1CCN(CCCCCOc2ccccc2)CC1)Nc1ccccc1 ZINC000189615786 1432178858 /nfs/dbraw/zinc/17/88/58/1432178858.db2.gz XPWYCWWSSYPICM-UHFFFAOYSA-N 0 1 381.520 3.492 20 0 GGADMN COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(OC(F)F)c1 ZINC000189622260 1432181413 /nfs/dbraw/zinc/18/14/13/1432181413.db2.gz RORPFHJJLXGNHK-MRXNPFEDSA-N 0 1 382.382 3.468 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1nnnn1-c1ccccc1 ZINC000189632209 1432185722 /nfs/dbraw/zinc/18/57/22/1432185722.db2.gz IWKOEDVGBWGBLH-JTQLQIEISA-N 0 1 399.867 3.258 20 0 GGADMN COCc1noc(CN2CCN(CCCc3cccc4ccccc43)CC2)n1 ZINC000189639847 1432188158 /nfs/dbraw/zinc/18/81/58/1432188158.db2.gz GYVBQOLBUIUWPV-UHFFFAOYSA-N 0 1 380.492 3.120 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@](C)(O)C2CCCCC2)CC1 ZINC000189640257 1432188349 /nfs/dbraw/zinc/18/83/49/1432188349.db2.gz FFNLGSZJCSSMAH-VGSWGCGISA-N 0 1 388.556 3.238 20 0 GGADMN CC[C@]1(CO)CCCN1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000189655779 1432193375 /nfs/dbraw/zinc/19/33/75/1432193375.db2.gz KJTBDMXNOBADFO-VQTJNVASSA-N 0 1 376.497 3.330 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000189663143 1432195788 /nfs/dbraw/zinc/19/57/88/1432195788.db2.gz AZGPQCXWGYJRPX-QFIPXVFZSA-N 0 1 381.476 3.114 20 0 GGADMN CSCc1cccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000189683302 1432202643 /nfs/dbraw/zinc/20/26/43/1432202643.db2.gz KMTKSGHHYVDZIZ-UHFFFAOYSA-N 0 1 384.549 3.408 20 0 GGADMN COc1cc(NC2CCN(CCOCC(F)(F)C(F)F)CC2)cc(OC)c1 ZINC000189706924 1432210075 /nfs/dbraw/zinc/21/00/75/1432210075.db2.gz XPKATNIBPJTWGA-UHFFFAOYSA-N 0 1 394.409 3.497 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1 ZINC000189723260 1432214624 /nfs/dbraw/zinc/21/46/24/1432214624.db2.gz NJLMBDVQBJCXOI-JOCHJYFZSA-N 0 1 386.492 3.306 20 0 GGADMN Cc1cccc(C[C@H](CO)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000189721238 1432214715 /nfs/dbraw/zinc/21/47/15/1432214715.db2.gz PKGHNPFONSYOIJ-WOJBJXKFSA-N 0 1 385.508 3.018 20 0 GGADMN Cc1cccc(C[C@@H](CO)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000189721219 1432214740 /nfs/dbraw/zinc/21/47/40/1432214740.db2.gz PKGHNPFONSYOIJ-VQTJNVASSA-N 0 1 385.508 3.018 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000189729332 1432217147 /nfs/dbraw/zinc/21/71/47/1432217147.db2.gz IXUKFNHMVPWBFH-LJQANCHMSA-N 0 1 388.414 3.032 20 0 GGADMN COCCO[C@H]1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000189733821 1432218127 /nfs/dbraw/zinc/21/81/27/1432218127.db2.gz ZQEHAOJJVOKXTG-NQIIRXRSSA-N 0 1 382.504 3.018 20 0 GGADMN O=C1[C@@H](NCc2ccc3c(c2)OCCO3)CCCN1Cc1ccc(F)cc1F ZINC000189735717 1432218901 /nfs/dbraw/zinc/21/89/01/1432218901.db2.gz TZHVGYONKHHFGZ-SFHVURJKSA-N 0 1 388.414 3.017 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 ZINC000189735733 1432219065 /nfs/dbraw/zinc/21/90/65/1432219065.db2.gz KEOZDWIVCVVNTO-JOCHJYFZSA-N 0 1 386.492 3.306 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000189737680 1432219541 /nfs/dbraw/zinc/21/95/41/1432219541.db2.gz FHHYNFJTFDFTHT-HNNXBMFYSA-N 0 1 394.947 3.419 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1nnc[nH]1 ZINC000189741186 1432220708 /nfs/dbraw/zinc/22/07/08/1432220708.db2.gz KXFQPGHYAIVQDJ-YPMHNXCESA-N 0 1 379.848 3.289 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)CN(C)CC3(O)CCOCC3)cc2)c1 ZINC000189749970 1432222883 /nfs/dbraw/zinc/22/28/83/1432222883.db2.gz LISOPWNXZLWOBD-UHFFFAOYSA-N 0 1 384.476 3.199 20 0 GGADMN CCOC[C@@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)C(C)C ZINC000189752441 1432224054 /nfs/dbraw/zinc/22/40/54/1432224054.db2.gz UHUFGCIXLVDKQW-RTBURBONSA-N 0 1 377.529 3.192 20 0 GGADMN O=C1[C@H](NCc2cnn(-c3ccccc3)c2)CCCN1Cc1ccc(F)cc1F ZINC000189754653 1432224683 /nfs/dbraw/zinc/22/46/83/1432224683.db2.gz JLBQTFXWHZOCRR-OAQYLSRUSA-N 0 1 396.441 3.431 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189758499 1432226267 /nfs/dbraw/zinc/22/62/67/1432226267.db2.gz DHYPMPUGTUGBQC-NRFANRHFSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC1(O)CCOCC1 ZINC000189762836 1432227729 /nfs/dbraw/zinc/22/77/29/1432227729.db2.gz KUBOMMBINOWOGQ-LBPRGKRZSA-N 0 1 385.386 3.290 20 0 GGADMN Cc1ccn(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000189776731 1432232654 /nfs/dbraw/zinc/23/26/54/1432232654.db2.gz NQCALEMRRPQVJI-UHFFFAOYSA-N 0 1 380.414 3.356 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)CC1(O)CCOCC1 ZINC000189779320 1432233114 /nfs/dbraw/zinc/23/31/14/1432233114.db2.gz RCQWJNPEEXFDQP-NSHDSACASA-N 0 1 394.821 3.159 20 0 GGADMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N3CCN4CCC3CC4)c2)C1 ZINC000189783046 1432234022 /nfs/dbraw/zinc/23/40/22/1432234022.db2.gz CFUVUIHMWLBIOO-UTKZUKDTSA-N 0 1 399.535 3.027 20 0 GGADMN COC[C@@H](C)n1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000189784310 1432234387 /nfs/dbraw/zinc/23/43/87/1432234387.db2.gz MFGCQGFKGXTIEK-CVEARBPZSA-N 0 1 375.473 3.032 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000189839280 1432250015 /nfs/dbraw/zinc/25/00/15/1432250015.db2.gz IGYTUIFHLSEBQJ-UHFFFAOYSA-N 0 1 390.491 3.316 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)N1CCCC1 ZINC000189845304 1432251571 /nfs/dbraw/zinc/25/15/71/1432251571.db2.gz DXUZYYSRRDGHNW-IBGZPJMESA-N 0 1 382.508 3.254 20 0 GGADMN CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1C ZINC000189860711 1432255536 /nfs/dbraw/zinc/25/55/36/1432255536.db2.gz NDTRWRCIZRQXHC-UHFFFAOYSA-N 0 1 380.492 3.266 20 0 GGADMN COc1ccc(Cn2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)n2)cc1 ZINC000189861532 1432256192 /nfs/dbraw/zinc/25/61/92/1432256192.db2.gz KSUYUUXSFMPMHJ-QGZVFWFLSA-N 0 1 399.520 3.426 20 0 GGADMN CC(C)(O)CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000189864883 1432257104 /nfs/dbraw/zinc/25/71/04/1432257104.db2.gz NABBZLPNKIMKDO-MRXNPFEDSA-N 0 1 387.505 3.254 20 0 GGADMN COC[C@H](C)n1ccc(NCc2c(Cl)cccc2N2CCN(C)CC2)n1 ZINC000189866809 1432257369 /nfs/dbraw/zinc/25/73/69/1432257369.db2.gz JQPNMNCTXCPPHQ-HNNXBMFYSA-N 0 1 377.920 3.108 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189866892 1432257591 /nfs/dbraw/zinc/25/75/91/1432257591.db2.gz QSJUBUUKFXNDLX-IBGZPJMESA-N 0 1 390.478 3.104 20 0 GGADMN CC(C)(O)CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C1CC1 ZINC000189881727 1432261330 /nfs/dbraw/zinc/26/13/30/1432261330.db2.gz WEORTZMKAKNLDW-UHFFFAOYSA-N 0 1 399.466 3.252 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000189884449 1432262718 /nfs/dbraw/zinc/26/27/18/1432262718.db2.gz JYMYDSLINZLPSB-GPMSIDNRSA-N 0 1 392.931 3.171 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccc2ccccc2c1 ZINC000189900208 1432267451 /nfs/dbraw/zinc/26/74/51/1432267451.db2.gz MSXQLZHEHSACIS-QYZOEREBSA-N 0 1 397.563 3.183 20 0 GGADMN C[C@H]1CN(CC(=O)Nc2ccccc2-c2ccccc2)CCN1CC(C)(C)O ZINC000189909754 1432270026 /nfs/dbraw/zinc/27/00/26/1432270026.db2.gz VHVMGENFEXNBCJ-SFHVURJKSA-N 0 1 381.520 3.069 20 0 GGADMN COC[C@@H](C)n1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000189909283 1432270352 /nfs/dbraw/zinc/27/03/52/1432270352.db2.gz NKSCUAIFQPMCPU-OAHLLOKOSA-N 0 1 389.475 3.016 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189910365 1432271070 /nfs/dbraw/zinc/27/10/70/1432271070.db2.gz XJWLHPXJEMOVQK-OALUTQOASA-N 0 1 395.547 3.458 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189915217 1432272899 /nfs/dbraw/zinc/27/28/99/1432272899.db2.gz NWHHWHKNVGUXRX-QZTJIDSGSA-N 0 1 375.557 3.222 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCN1CC(C)(C)O ZINC000189930212 1432278217 /nfs/dbraw/zinc/27/82/17/1432278217.db2.gz PGSARGLRXQZUNQ-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)ccc21 ZINC000189934412 1432279909 /nfs/dbraw/zinc/27/99/09/1432279909.db2.gz LZDNGMSPDKLQBX-NRFANRHFSA-N 0 1 393.487 3.173 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)C[C@@H]1C ZINC000189941153 1432281854 /nfs/dbraw/zinc/28/18/54/1432281854.db2.gz QLVBORMLUNZCFU-GASCZTMLSA-N 0 1 391.903 3.099 20 0 GGADMN C[C@@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCN1CC(C)(C)O ZINC000189950922 1432287805 /nfs/dbraw/zinc/28/78/05/1432287805.db2.gz GVHJAWWHYGAGPS-CYBMUJFWSA-N 0 1 398.429 3.032 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000189952585 1432287915 /nfs/dbraw/zinc/28/79/15/1432287915.db2.gz OJGYUCATXNYHPS-ZVDOUQERSA-N 0 1 383.492 3.494 20 0 GGADMN CC[C@]1(CO)CCCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)C1 ZINC000189967983 1432291573 /nfs/dbraw/zinc/29/15/73/1432291573.db2.gz GXCVKJDQUICPES-KNQAVFIVSA-N 0 1 389.540 3.026 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)N(C)C)c1 ZINC000189967785 1432291696 /nfs/dbraw/zinc/29/16/96/1432291696.db2.gz PTJYFYKZYPBRIO-BVSLBCMMSA-N 0 1 397.519 3.375 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)N(C)C)c1 ZINC000189967805 1432291795 /nfs/dbraw/zinc/29/17/95/1432291795.db2.gz PTJYFYKZYPBRIO-NNWRFLSQSA-N 0 1 397.519 3.375 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)C1 ZINC000189967966 1432291816 /nfs/dbraw/zinc/29/18/16/1432291816.db2.gz GXCVKJDQUICPES-SIKLNZKXSA-N 0 1 389.540 3.026 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC[C@]12CCOC2=O)c1ccccc1Cl ZINC000189969210 1432292412 /nfs/dbraw/zinc/29/24/12/1432292412.db2.gz ZQJIVWUQTVXIFN-YLJYHZDGSA-N 0 1 393.915 3.214 20 0 GGADMN CCSc1cc(CNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccn1 ZINC000189970499 1432293456 /nfs/dbraw/zinc/29/34/56/1432293456.db2.gz NOYIIINJKJNYAY-QGZVFWFLSA-N 0 1 376.501 3.435 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000189980308 1432296931 /nfs/dbraw/zinc/29/69/31/1432296931.db2.gz BNJIWJHUVNKVRC-IFMALSPDSA-N 0 1 389.540 3.026 20 0 GGADMN CCOC(=O)[C@](C)(CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1 ZINC000189980131 1432297122 /nfs/dbraw/zinc/29/71/22/1432297122.db2.gz VIYOHTZMUZTMJZ-NZQKXSOJSA-N 0 1 398.478 3.256 20 0 GGADMN CC(C)Cn1cc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000189983191 1432298588 /nfs/dbraw/zinc/29/85/88/1432298588.db2.gz OUXBBLMJTUDPFO-KRWDZBQOSA-N 0 1 390.553 3.272 20 0 GGADMN CC(C)Cn1cc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000189983210 1432299005 /nfs/dbraw/zinc/29/90/05/1432299005.db2.gz OUXBBLMJTUDPFO-QGZVFWFLSA-N 0 1 390.553 3.272 20 0 GGADMN CCOC(=O)[C@@](C)(CN[C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000189985180 1432299720 /nfs/dbraw/zinc/29/97/20/1432299720.db2.gz YVYYLKOUVDIZRG-VGSWGCGISA-N 0 1 378.476 3.439 20 0 GGADMN CCOC(=O)[C@](C)(CN[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000189985167 1432300007 /nfs/dbraw/zinc/30/00/07/1432300007.db2.gz YVYYLKOUVDIZRG-HTAPYJJXSA-N 0 1 378.476 3.439 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2ccccc2-c2ccccc2)C1(C)C ZINC000189987449 1432300120 /nfs/dbraw/zinc/30/01/20/1432300120.db2.gz RLAUVCFCBDIPPT-NZQKXSOJSA-N 0 1 382.504 3.448 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCc2csc(-c3cccc(OC)c3)n2)C1(C)C ZINC000189988979 1432300721 /nfs/dbraw/zinc/30/07/21/1432300721.db2.gz XOMLFYGWHDATEW-PXNSSMCTSA-N 0 1 376.522 3.474 20 0 GGADMN CCOC[C@@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000190005001 1432302800 /nfs/dbraw/zinc/30/28/00/1432302800.db2.gz HTPSFQSULJVEMP-LVCYWYKZSA-N 0 1 391.556 3.156 20 0 GGADMN CCN(C(C)=O)c1nc(CNC2(C)CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000190007949 1432303769 /nfs/dbraw/zinc/30/37/69/1432303769.db2.gz BEVPMTPVRURTIN-UHFFFAOYSA-N 0 1 396.557 3.395 20 0 GGADMN O=C(NNC(=O)[C@H]1CCCc2c(O)cccc21)c1ccc(Br)s1 ZINC000190010906 1432304552 /nfs/dbraw/zinc/30/45/52/1432304552.db2.gz KXWCCLSISVVLIZ-NSHDSACASA-N 0 1 395.278 3.097 20 0 GGADMN COC(=O)C[C@@](C)(NCc1ccc(Oc2cnccn2)cc1)c1ccncc1 ZINC000190022123 1432306273 /nfs/dbraw/zinc/30/62/73/1432306273.db2.gz PIJDQGPAHPAWTA-OAQYLSRUSA-N 0 1 378.432 3.232 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)CCOCC(F)F)cc2Cl)CC1 ZINC000190022522 1432306805 /nfs/dbraw/zinc/30/68/05/1432306805.db2.gz RATMLKFZZXGTDE-UHFFFAOYSA-N 0 1 389.874 3.482 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000190022812 1432306846 /nfs/dbraw/zinc/30/68/46/1432306846.db2.gz HKUBJHOPGZVVPV-HUUCEWRRSA-N 0 1 383.468 3.418 20 0 GGADMN CCOC(=O)c1c(C)oc2nc(CN[C@H]3CCCC[C@H]3SCC)nc(N)c21 ZINC000190066478 1432313581 /nfs/dbraw/zinc/31/35/81/1432313581.db2.gz CVUAQEKEPSOCPS-QWHCGFSZSA-N 0 1 392.525 3.444 20 0 GGADMN CCOC(=O)c1c(C)oc2nc(CN[C@H]3CCCC[C@@H]3SCC)nc(N)c21 ZINC000190066446 1432313737 /nfs/dbraw/zinc/31/37/37/1432313737.db2.gz CVUAQEKEPSOCPS-STQMWFEESA-N 0 1 392.525 3.444 20 0 GGADMN CC[C@]1(CO)CCCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000190069284 1432314013 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GGADMN O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000190139186 1432326576 /nfs/dbraw/zinc/32/65/76/1432326576.db2.gz QKIFKIBBKSRLFT-UHFFFAOYSA-N 0 1 381.480 3.354 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2c[nH]nc2C2CC2)cc1 ZINC000190139186 1432326579 /nfs/dbraw/zinc/32/65/79/1432326579.db2.gz QKIFKIBBKSRLFT-UHFFFAOYSA-N 0 1 381.480 3.354 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000190139186 1432326582 /nfs/dbraw/zinc/32/65/82/1432326582.db2.gz QKIFKIBBKSRLFT-UHFFFAOYSA-N 0 1 381.480 3.354 20 0 GGADMN CCCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c(C)c1 ZINC000190144719 1432327563 /nfs/dbraw/zinc/32/75/63/1432327563.db2.gz PXMINXBTRHVDIJ-QGZVFWFLSA-N 0 1 377.529 3.483 20 0 GGADMN CCCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(C)c1 ZINC000190144698 1432327819 /nfs/dbraw/zinc/32/78/19/1432327819.db2.gz PXMINXBTRHVDIJ-KRWDZBQOSA-N 0 1 377.529 3.483 20 0 GGADMN Cc1ccc(C(=O)NCC2CC2)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000190147803 1432328121 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C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCN1CC(C)(C)O ZINC000190218164 1432343475 /nfs/dbraw/zinc/34/34/75/1432343475.db2.gz DOGGAGFMZCLXRQ-OAHLLOKOSA-N 0 1 393.503 3.456 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccccn3)c2)CCN1CC(C)(C)O ZINC000190224037 1432344125 /nfs/dbraw/zinc/34/41/25/1432344125.db2.gz HHOASZVEDOUPPU-MRXNPFEDSA-N 0 1 384.480 3.183 20 0 GGADMN O=S(=O)(Nc1cccc(Cl)c1-n1cncn1)C1=Cc2ccccc2OC1 ZINC000190227447 1432344880 /nfs/dbraw/zinc/34/48/80/1432344880.db2.gz IRIJRJKWIUACPZ-UHFFFAOYSA-N 0 1 388.836 3.096 20 0 GGADMN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cccc(-c3nnc[nH]3)c2)n1 ZINC000190257678 1432349698 /nfs/dbraw/zinc/34/96/98/1432349698.db2.gz GNUWPNYGQTZNKV-OAHLLOKOSA-N 0 1 397.460 3.082 20 0 GGADMN O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000190278266 1432352376 /nfs/dbraw/zinc/35/23/76/1432352376.db2.gz PLKOMMRRRFJRRE-JTQLQIEISA-N 0 1 391.859 3.334 20 0 GGADMN O=C(NCCc1ccc(F)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000190290893 1432354566 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383.492 3.273 20 0 GGADMN C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000190347531 1432365465 /nfs/dbraw/zinc/36/54/65/1432365465.db2.gz IKJXLANGNCOLFX-IYBDPMFKSA-N 0 1 395.494 3.038 20 0 GGADMN Cc1nn(-c2ccccc2)c2sc(C(=O)NC3(c4nnc[nH]4)CCC3)cc12 ZINC000190350514 1432365936 /nfs/dbraw/zinc/36/59/36/1432365936.db2.gz ORULRPWWAMGMQY-UHFFFAOYSA-N 0 1 378.461 3.323 20 0 GGADMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000190363829 1432367492 /nfs/dbraw/zinc/36/74/92/1432367492.db2.gz DVHLKHVGYUAXFR-UHFFFAOYSA-N 0 1 382.445 3.114 20 0 GGADMN CCOc1ccc(-c2nc(CC(=O)NC3(c4nnc[nH]4)CCC3)cs2)cc1 ZINC000190370607 1432368453 /nfs/dbraw/zinc/36/84/53/1432368453.db2.gz NTOBENDEDFYIDH-UHFFFAOYSA-N 0 1 383.477 3.065 20 0 GGADMN O=C(NC1(c2nnc[nH]2)CCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000190370412 1432368683 /nfs/dbraw/zinc/36/86/83/1432368683.db2.gz NFBXHZHRACPKQZ-LJQANCHMSA-N 0 1 386.459 3.308 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)Nc2ccsc2)CC1 ZINC000190373796 1432368978 /nfs/dbraw/zinc/36/89/78/1432368978.db2.gz QKNVILCLHZLTAK-UHFFFAOYSA-N 0 1 392.912 3.121 20 0 GGADMN Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000190379479 1432370114 /nfs/dbraw/zinc/37/01/14/1432370114.db2.gz QCODCLTWDUTXNM-UHFFFAOYSA-N 0 1 379.445 3.167 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)cc1C ZINC000190398786 1432373892 /nfs/dbraw/zinc/37/38/92/1432373892.db2.gz NJGNUOMGPOOLKU-UHFFFAOYSA-N 0 1 375.425 3.188 20 0 GGADMN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(C2CCCCC2)CC1 ZINC000190405531 1432374797 /nfs/dbraw/zinc/37/47/97/1432374797.db2.gz SUQFQVFYAFLJLO-UHFFFAOYSA-N 0 1 396.285 3.448 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCSCC[C@H]2C)N2CCCC2)cc1 ZINC000190404337 1432374827 /nfs/dbraw/zinc/37/48/27/1432374827.db2.gz SWCABCRPQGJZGS-VQIMIIECSA-N 0 1 377.554 3.369 20 0 GGADMN CCC1(CC)CCCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000190409902 1432375862 /nfs/dbraw/zinc/37/58/62/1432375862.db2.gz LGIWGICOMRVWAQ-UHFFFAOYSA-N 0 1 377.554 3.495 20 0 GGADMN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CCCc2c(O)cccc21 ZINC000190415106 1432377216 /nfs/dbraw/zinc/37/72/16/1432377216.db2.gz JFCBGMKDYLAADS-IBGZPJMESA-N 0 1 387.524 3.104 20 0 GGADMN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cc(F)ccc1F ZINC000190418891 1432377757 /nfs/dbraw/zinc/37/77/57/1432377757.db2.gz HYFLBPBGULCCBF-QGZVFWFLSA-N 0 1 375.419 3.377 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)c1cccs1 ZINC000190425711 1432379607 /nfs/dbraw/zinc/37/96/07/1432379607.db2.gz NZYZLPHLVIWJPP-INIZCTEOSA-N 0 1 392.500 3.138 20 0 GGADMN O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1c[nH]nc1C1CC1 ZINC000190432729 1432380883 /nfs/dbraw/zinc/38/08/83/1432380883.db2.gz DZIXJGRSYVTVES-HNNXBMFYSA-N 0 1 378.398 3.310 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c[nH]nc1C1CC1 ZINC000190432729 1432380889 /nfs/dbraw/zinc/38/08/89/1432380889.db2.gz DZIXJGRSYVTVES-HNNXBMFYSA-N 0 1 378.398 3.310 20 0 GGADMN CCN1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1=O ZINC000190433098 1432381010 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0 GGADMN CCc1c(NC(=O)CN(C)C(=O)OCc2ccccc2)[nH]nc1-c1ccncc1 ZINC000191800140 1432728031 /nfs/dbraw/zinc/72/80/31/1432728031.db2.gz FNPUEWBFJBDMGR-UHFFFAOYSA-N 0 1 393.447 3.241 20 0 GGADMN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Br)ccc3[O-])C2=O)cc1 ZINC000191801171 1432728683 /nfs/dbraw/zinc/72/86/83/1432728683.db2.gz HFWZNOXHFVKTNS-QGZVFWFLSA-N 0 1 389.293 3.354 20 0 GGADMN CC(=O)CC(C)(C)CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000191805743 1432729419 /nfs/dbraw/zinc/72/94/19/1432729419.db2.gz XHBZSOCRAFGUNU-INIZCTEOSA-N 0 1 377.504 3.150 20 0 GGADMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)n1 ZINC000191809422 1432730364 /nfs/dbraw/zinc/73/03/64/1432730364.db2.gz ZHCZGPXIQUVCMM-UHFFFAOYSA-N 0 1 394.456 3.206 20 0 GGADMN Cc1ccc(CN2CC[C@@H](NCc3cc(Cl)c4c(c3)OCCO4)C2=O)cc1 ZINC000191809910 1432730474 /nfs/dbraw/zinc/73/04/74/1432730474.db2.gz CYBJNUSUUXKOFT-GOSISDBHSA-N 0 1 386.879 3.310 20 0 GGADMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(CC(=O)OC)n2)cc1 ZINC000191818686 1432732277 /nfs/dbraw/zinc/73/22/77/1432732277.db2.gz LGEQBAYTGDZXMK-UHFFFAOYSA-N 0 1 376.478 3.286 20 0 GGADMN O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)C1=Cc2ccccc2OC1 ZINC000191840646 1432737440 /nfs/dbraw/zinc/73/74/40/1432737440.db2.gz OKTCQFVXZPSQSI-HXUWFJFHSA-N 0 1 384.501 3.176 20 0 GGADMN O=S(=O)(CCO)c1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000191844550 1432738234 /nfs/dbraw/zinc/73/82/34/1432738234.db2.gz IGFWTHABZABRCX-UHFFFAOYSA-N 0 1 389.517 3.064 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000191885569 1432747388 /nfs/dbraw/zinc/74/73/88/1432747388.db2.gz RPRRTPDZBGKRFA-GOEBONIOSA-N 0 1 383.423 3.182 20 0 GGADMN Cc1ccc(-n2cc(NS(=O)(=O)c3cccc4c3OCCO4)cn2)c(C)c1 ZINC000191898576 1432750575 /nfs/dbraw/zinc/75/05/75/1432750575.db2.gz KYVRDEYOEUBUSB-UHFFFAOYSA-N 0 1 385.445 3.061 20 0 GGADMN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191903168 1432751889 /nfs/dbraw/zinc/75/18/89/1432751889.db2.gz LHMDTTZYAVWLQS-NVXWUHKLSA-N 0 1 381.480 3.403 20 0 GGADMN CC(C)CCn1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000191917126 1432755354 /nfs/dbraw/zinc/75/53/54/1432755354.db2.gz XKORMMMIGXMATC-FQEVSTJZSA-N 0 1 399.539 3.342 20 0 GGADMN COc1cc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000191920190 1432755931 /nfs/dbraw/zinc/75/59/31/1432755931.db2.gz GFXQYRUVJXWVHA-QRWLVFNGSA-N 0 1 390.867 3.416 20 0 GGADMN COc1cc(OC)c(NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)cc1Cl ZINC000191946979 1432763288 /nfs/dbraw/zinc/76/32/88/1432763288.db2.gz VHEVNSUTTZBZTE-QRWLVFNGSA-N 0 1 390.867 3.416 20 0 GGADMN COc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)cc1F ZINC000191948217 1432763464 /nfs/dbraw/zinc/76/34/64/1432763464.db2.gz FRTFGYSZFIYARQ-UHFFFAOYSA-N 0 1 378.469 3.124 20 0 GGADMN Cc1ccccc1C[C@H](CO)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000191948667 1432763786 /nfs/dbraw/zinc/76/37/86/1432763786.db2.gz PXFSLRAUMNDCLP-JOCHJYFZSA-N 0 1 399.510 3.001 20 0 GGADMN O=S(=O)(Nc1cnc(Cl)cn1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000191952711 1432765551 /nfs/dbraw/zinc/76/55/51/1432765551.db2.gz JMMODRSOOJRIGX-UHFFFAOYSA-N 0 1 387.795 3.460 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)Cn2nc(C)c(Cl)c2C)[nH]1 ZINC000191964426 1432769175 /nfs/dbraw/zinc/76/91/75/1432769175.db2.gz IGFAZTHMXNKWSD-UHFFFAOYSA-N 0 1 381.864 3.034 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C)n(C(C)(C)C)n2)[nH]1 ZINC000191964582 1432769595 /nfs/dbraw/zinc/76/95/95/1432769595.db2.gz WAJAQZQTZKKECY-UHFFFAOYSA-N 0 1 375.473 3.441 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C)nc3onc(C)c32)[nH]1 ZINC000191964757 1432769618 /nfs/dbraw/zinc/76/96/18/1432769618.db2.gz PTMBGBOLFJOEKW-UHFFFAOYSA-N 0 1 385.424 3.334 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(CC)CC2)cn1 ZINC000191975070 1432772626 /nfs/dbraw/zinc/77/26/26/1432772626.db2.gz USNSDEZHYZWFGD-UHFFFAOYSA-N 0 1 389.521 3.160 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000191983853 1432774613 /nfs/dbraw/zinc/77/46/13/1432774613.db2.gz AQQBKXWVADKCRK-IBGZPJMESA-N 0 1 389.459 3.265 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000191988452 1432775461 /nfs/dbraw/zinc/77/54/61/1432775461.db2.gz BLYYLGAGUFTOST-QWHCGFSZSA-N 0 1 395.912 3.371 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000191988510 1432775480 /nfs/dbraw/zinc/77/54/80/1432775480.db2.gz AXNSCIKLTRIIKV-CHWSQXEVSA-N 0 1 395.912 3.371 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])ccc2C)c1 ZINC000191989988 1432775818 /nfs/dbraw/zinc/77/58/18/1432775818.db2.gz OPPCTSBEBFDKPQ-HUUCEWRRSA-N 0 1 375.494 3.026 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000191992473 1432776072 /nfs/dbraw/zinc/77/60/72/1432776072.db2.gz KNXJKGLOOZEHFT-KRWDZBQOSA-N 0 1 389.540 3.316 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000191997607 1432776736 /nfs/dbraw/zinc/77/67/36/1432776736.db2.gz XPUBKKQSZLUZCC-MRXNPFEDSA-N 0 1 389.540 3.182 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000191995896 1432776793 /nfs/dbraw/zinc/77/67/93/1432776793.db2.gz XNRRAUSQTTYUPW-ZDUSSCGKSA-N 0 1 392.887 3.322 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000192000108 1432777647 /nfs/dbraw/zinc/77/76/47/1432777647.db2.gz HVFHUVKMNOBSBC-UHFFFAOYSA-N 0 1 376.497 3.218 20 0 GGADMN COc1ccc([C@H](CNS(=O)(=O)CCc2cccs2)N2CCCC2)cc1 ZINC000192002893 1432777797 /nfs/dbraw/zinc/77/77/97/1432777797.db2.gz SXTLOCDIABONFL-IBGZPJMESA-N 0 1 394.562 3.056 20 0 GGADMN CC(C)c1ccc(-c2noc(CN3CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC3)n2)cc1 ZINC000192009469 1432778518 /nfs/dbraw/zinc/77/85/18/1432778518.db2.gz YWUFVQYIEZNXNL-GOSISDBHSA-N 0 1 386.496 3.231 20 0 GGADMN COc1ccccc1-c1nc(CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)cs1 ZINC000192008438 1432778557 /nfs/dbraw/zinc/77/85/57/1432778557.db2.gz PJWFNJAHMVBQHH-INIZCTEOSA-N 0 1 389.521 3.190 20 0 GGADMN Cc1ccc(CS(=O)(=O)NCCCN2CCc3ccccc3C2)c(F)c1 ZINC000192013114 1432779308 /nfs/dbraw/zinc/77/93/08/1432779308.db2.gz ISMRTEKKUDKOCK-UHFFFAOYSA-N 0 1 376.497 3.002 20 0 GGADMN CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)cc1 ZINC000192015529 1432779654 /nfs/dbraw/zinc/77/96/54/1432779654.db2.gz CQSHJKJXUZNFCD-APWZRJJASA-N 0 1 375.513 3.010 20 0 GGADMN CCN(C(=O)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000192015763 1432779787 /nfs/dbraw/zinc/77/97/87/1432779787.db2.gz ULLXYUUGIKZXLA-LJQANCHMSA-N 0 1 397.519 3.064 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000192015376 1432779813 /nfs/dbraw/zinc/77/98/13/1432779813.db2.gz NVNKWSNNVYKEJC-UNMCSNQZSA-N 0 1 395.503 3.237 20 0 GGADMN COc1ccc(OC)c(CN(CCO)Cc2ccc(-n3ccnc3)cc2C)c1 ZINC000192019194 1432780644 /nfs/dbraw/zinc/78/06/44/1432780644.db2.gz CUQZUMJMUMEGDE-UHFFFAOYSA-N 0 1 381.476 3.192 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1cc(F)cc(F)c1 ZINC000192021967 1432781019 /nfs/dbraw/zinc/78/10/19/1432781019.db2.gz XCELQNHVUQLZSW-MJGOQNOKSA-N 0 1 380.822 3.354 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000192031971 1432782687 /nfs/dbraw/zinc/78/26/87/1432782687.db2.gz JYSRVZGCNNATEA-PBHICJAKSA-N 0 1 394.928 3.448 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192043050 1432785427 /nfs/dbraw/zinc/78/54/27/1432785427.db2.gz SBNILPSBKVOVHI-RBUKOAKNSA-N 0 1 395.908 3.242 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000192045475 1432785999 /nfs/dbraw/zinc/78/59/99/1432785999.db2.gz QJKKBSOACKPTSN-UZLBHIALSA-N 0 1 390.867 3.416 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000192045469 1432786094 /nfs/dbraw/zinc/78/60/94/1432786094.db2.gz QJKKBSOACKPTSN-OXJNMPFZSA-N 0 1 390.867 3.416 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192046024 1432786336 /nfs/dbraw/zinc/78/63/36/1432786336.db2.gz HPSOCBNXQHUARL-NQIIRXRSSA-N 0 1 388.895 3.127 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192046021 1432786496 /nfs/dbraw/zinc/78/64/96/1432786496.db2.gz HPSOCBNXQHUARL-GHTZIAJQSA-N 0 1 388.895 3.127 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000192047488 1432786857 /nfs/dbraw/zinc/78/68/57/1432786857.db2.gz KRRXSBJPBSNQRW-WAOWUJCRSA-N 0 1 386.879 3.400 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192048296 1432786898 /nfs/dbraw/zinc/78/68/98/1432786898.db2.gz GTJIKBVNRAXLPA-PZJWPPBQSA-N 0 1 388.895 3.427 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192048292 1432786919 /nfs/dbraw/zinc/78/69/19/1432786919.db2.gz GTJIKBVNRAXLPA-TZIWHRDSSA-N 0 1 388.895 3.427 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192053653 1432788595 /nfs/dbraw/zinc/78/85/95/1432788595.db2.gz RMMFLGYBSBZINU-JXFKEZNVSA-N 0 1 390.867 3.416 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192054728 1432788636 /nfs/dbraw/zinc/78/86/36/1432788636.db2.gz UJUTZOCDOHUPPX-KBMWQNTOSA-N 0 1 394.943 3.471 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058938 1432789828 /nfs/dbraw/zinc/78/98/28/1432789828.db2.gz FDVUPNXWCZGXHM-CZUORRHYSA-N 0 1 394.880 3.246 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192058944 1432789902 /nfs/dbraw/zinc/78/99/02/1432789902.db2.gz FDVUPNXWCZGXHM-XJKSGUPXSA-N 0 1 394.880 3.246 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000192063887 1432791085 /nfs/dbraw/zinc/79/10/85/1432791085.db2.gz DIWYQVFKBGYTKQ-PXNSSMCTSA-N 0 1 390.867 3.416 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCc1ccc(F)cc1 ZINC000192069948 1432792304 /nfs/dbraw/zinc/79/23/04/1432792304.db2.gz IWAUVTRNWZMSHV-HKUYNNGSSA-N 0 1 380.822 3.354 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCc1ccc(F)cc1 ZINC000192069943 1432792579 /nfs/dbraw/zinc/79/25/79/1432792579.db2.gz IWAUVTRNWZMSHV-MJGOQNOKSA-N 0 1 380.822 3.354 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ncc(F)cc2F)N2CCCCC2)cc1 ZINC000192072230 1432792877 /nfs/dbraw/zinc/79/28/77/1432792877.db2.gz VFADQOXCSPTSDB-GOSISDBHSA-N 0 1 375.419 3.325 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCc1ccccc1F ZINC000192083840 1432795124 /nfs/dbraw/zinc/79/51/24/1432795124.db2.gz RGEBCDWQFAXOFW-HKUYNNGSSA-N 0 1 380.822 3.354 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NC(=O)Nc1ccccc1 ZINC000192083346 1432795331 /nfs/dbraw/zinc/79/53/31/1432795331.db2.gz BAXXTXWPRWXWLC-SJLPKXTDSA-N 0 1 391.830 3.247 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192086637 1432796045 /nfs/dbraw/zinc/79/60/45/1432796045.db2.gz FHTSEIMKJOIHLJ-XLIONFOSSA-N 0 1 392.858 3.224 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192087808 1432796111 /nfs/dbraw/zinc/79/61/11/1432796111.db2.gz NVOIXASHIPMUDN-MAUKXSAKSA-N 0 1 398.894 3.339 20 0 GGADMN O=C(NCCc1cccs1)C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192091154 1432796730 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GGADMN COc1ccc(CN(C)C(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192120703 1432801136 /nfs/dbraw/zinc/80/11/36/1432801136.db2.gz VITJSPFDCWILAD-PZJWPPBQSA-N 0 1 390.430 3.052 20 0 GGADMN COc1cc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc(OC)c1 ZINC000192126173 1432802200 /nfs/dbraw/zinc/80/22/00/1432802200.db2.gz UCIFYVNQOVZPSD-QUCCMNQESA-N 0 1 392.402 3.040 20 0 GGADMN COc1cccc(CNC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192126333 1432802432 /nfs/dbraw/zinc/80/24/32/1432802432.db2.gz XNTDTLYRGIRWGM-CJMONDIMSA-N 0 1 390.430 3.098 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)on1 ZINC000192130002 1432803157 /nfs/dbraw/zinc/80/31/57/1432803157.db2.gz LRNGOPSHJDJBQC-KSSFIOAISA-N 0 1 379.407 3.309 20 0 GGADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCc1ccc(F)cc1 ZINC000192130029 1432803172 /nfs/dbraw/zinc/80/31/72/1432803172.db2.gz RAZDTMHKROKXEO-ZUSMLRIVSA-N 0 1 378.394 3.228 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000192130489 1432803479 /nfs/dbraw/zinc/80/34/79/1432803479.db2.gz MIGJUDZPPRBYPF-UYAOXDASSA-N 0 1 378.394 3.148 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000192130501 1432803539 /nfs/dbraw/zinc/80/35/39/1432803539.db2.gz MIGJUDZPPRBYPF-QUCCMNQESA-N 0 1 378.394 3.148 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000192130506 1432803564 /nfs/dbraw/zinc/80/35/64/1432803564.db2.gz MIGJUDZPPRBYPF-ICSRJNTNSA-N 0 1 378.394 3.148 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192134309 1432804392 /nfs/dbraw/zinc/80/43/92/1432804392.db2.gz QUONCXAITMRFRP-CTNGQTDRSA-N 0 1 390.430 3.052 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192137320 1432804657 /nfs/dbraw/zinc/80/46/57/1432804657.db2.gz DTDWFYLGXFUSCG-JXFKEZNVSA-N 0 1 392.402 3.040 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000192138795 1432805321 /nfs/dbraw/zinc/80/53/21/1432805321.db2.gz YZMAGNBEYOCFLC-PKOBYXMFSA-N 0 1 380.822 3.354 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)sc1C ZINC000192140150 1432805566 /nfs/dbraw/zinc/80/55/66/1432805566.db2.gz QCFZTDTWHHANNG-AMKSKSKJSA-N 0 1 381.448 3.485 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000192142583 1432805985 /nfs/dbraw/zinc/80/59/85/1432805985.db2.gz KAXRSEIHXNUHBW-YLJYHZDGSA-N 0 1 392.402 3.040 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000192143700 1432806195 /nfs/dbraw/zinc/80/61/95/1432806195.db2.gz BHQXADLHCFFIDN-IBGZPJMESA-N 0 1 380.916 3.477 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000192142918 1432806275 /nfs/dbraw/zinc/80/62/75/1432806275.db2.gz OAOXDWMDTNJUNI-UHFFFAOYSA-N 0 1 398.425 3.135 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)CC1 ZINC000192144595 1432806618 /nfs/dbraw/zinc/80/66/18/1432806618.db2.gz XFNXAGCIUNXHOC-QGZVFWFLSA-N 0 1 389.540 3.463 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000192144859 1432806630 /nfs/dbraw/zinc/80/66/30/1432806630.db2.gz WORBOAVJXJNFBN-FQEVSTJZSA-N 0 1 380.488 3.216 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 ZINC000192144947 1432806638 /nfs/dbraw/zinc/80/66/38/1432806638.db2.gz MUZGRKSSHNFSBX-QGZVFWFLSA-N 0 1 380.916 3.306 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000192144484 1432806647 /nfs/dbraw/zinc/80/66/47/1432806647.db2.gz STEVCYRKFDKMRL-UHFFFAOYSA-N 0 1 390.499 3.425 20 0 GGADMN CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000192145459 1432806986 /nfs/dbraw/zinc/80/69/86/1432806986.db2.gz QPTFMKRRYSKHCG-IEBWSBKVSA-N 0 1 380.916 3.477 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000192145381 1432807051 /nfs/dbraw/zinc/80/70/51/1432807051.db2.gz KXRWHORXYAWEAB-SFHVURJKSA-N 0 1 381.476 3.441 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000192146740 1432807242 /nfs/dbraw/zinc/80/72/42/1432807242.db2.gz BBQWDZSJUXLWHX-MRXNPFEDSA-N 0 1 378.538 3.348 20 0 GGADMN Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)s1 ZINC000192146243 1432807313 /nfs/dbraw/zinc/80/73/13/1432807313.db2.gz UXBNYLIBGOVCMQ-INIZCTEOSA-N 0 1 387.505 3.130 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c2ccccc2n1 ZINC000192146034 1432807347 /nfs/dbraw/zinc/80/73/47/1432807347.db2.gz WECANBCXBYITAC-INIZCTEOSA-N 0 1 383.492 3.369 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000192145882 1432807390 /nfs/dbraw/zinc/80/73/90/1432807390.db2.gz DCARTUNDUKWMON-GOSISDBHSA-N 0 1 376.472 3.035 20 0 GGADMN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192146860 1432807706 /nfs/dbraw/zinc/80/77/06/1432807706.db2.gz SXVLDXZNXBFJQO-MSOLQXFVSA-N 0 1 389.540 3.463 20 0 GGADMN Cn1ncc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1C(F)(F)F ZINC000192158539 1432809603 /nfs/dbraw/zinc/80/96/03/1432809603.db2.gz VEMZUCFYZJAUPB-DZGCQCFKSA-N 0 1 386.805 3.154 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cc(F)ccc1OCC1CC1 ZINC000192174746 1432812264 /nfs/dbraw/zinc/81/22/64/1432812264.db2.gz RRSFVCHPDZUAOV-UHFFFAOYSA-N 0 1 398.482 3.160 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCS[C@H](C)CC2)c1 ZINC000192179863 1432812685 /nfs/dbraw/zinc/81/26/85/1432812685.db2.gz ABMRVISGWYAUIT-CRAIPNDOSA-N 0 1 378.538 3.195 20 0 GGADMN C[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCS1 ZINC000192190449 1432813888 /nfs/dbraw/zinc/81/38/88/1432813888.db2.gz YZQALGVZHCFRCX-FUHWJXTLSA-N 0 1 390.549 3.339 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CCS[C@@H](C)CC2)c1 ZINC000192190171 1432813999 /nfs/dbraw/zinc/81/39/99/1432813999.db2.gz IEVCWAWSMFLDQP-JKSUJKDBSA-N 0 1 377.554 3.323 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000192197192 1432814797 /nfs/dbraw/zinc/81/47/97/1432814797.db2.gz FZIIFKDJFMFRHA-CQSZACIVSA-N 0 1 389.487 3.365 20 0 GGADMN O=C(CCC(=O)c1ccc(F)cc1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192212992 1432817096 /nfs/dbraw/zinc/81/70/96/1432817096.db2.gz DREBURAQHZKXGR-NRFANRHFSA-N 0 1 398.478 3.196 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)N(C)CC(F)(F)F ZINC000192239719 1432821256 /nfs/dbraw/zinc/82/12/56/1432821256.db2.gz SACXSHQYGVTFGT-DZGCQCFKSA-N 0 1 395.429 3.060 20 0 GGADMN CCN(CC)c1ccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000192245399 1432822024 /nfs/dbraw/zinc/82/20/24/1432822024.db2.gz VBFCOUCWOGUZRM-NRFANRHFSA-N 0 1 394.494 3.434 20 0 GGADMN COc1ccc([C@H](CNC(=O)CCC(=O)OC(C)(C)C)N2CCCCC2)cc1 ZINC000192257713 1432823625 /nfs/dbraw/zinc/82/36/25/1432823625.db2.gz XQASXSCDRQXXTO-IBGZPJMESA-N 0 1 390.524 3.460 20 0 GGADMN CC(C)Oc1ccc(N(C)C(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000192266771 1432824779 /nfs/dbraw/zinc/82/47/79/1432824779.db2.gz NRYCMEKGNGAZSB-UHFFFAOYSA-N 0 1 380.448 3.133 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000192274411 1432825977 /nfs/dbraw/zinc/82/59/77/1432825977.db2.gz GQMOYVNPEWUSLQ-ZBFHGGJFSA-N 0 1 398.511 3.328 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1 ZINC000192274398 1432826030 /nfs/dbraw/zinc/82/60/30/1432826030.db2.gz GQMOYVNPEWUSLQ-HOCLYGCPSA-N 0 1 398.511 3.328 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCSC[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000192305192 1432829794 /nfs/dbraw/zinc/82/97/94/1432829794.db2.gz XNCKYUZALKWHLC-KURKYZTESA-N 0 1 391.581 3.190 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000192320112 1432831446 /nfs/dbraw/zinc/83/14/46/1432831446.db2.gz AWEZDTVWFSBXBA-LJQANCHMSA-N 0 1 397.567 3.314 20 0 GGADMN COc1ccc(CCNC(=O)[C@@H](C)N[C@H]2CCCc3c(O)cccc32)cc1OC ZINC000192347367 1432834666 /nfs/dbraw/zinc/83/46/66/1432834666.db2.gz QPTGGTIZXMHMJR-BEFAXECRSA-N 0 1 398.503 3.124 20 0 GGADMN COc1ccc(CCNC(=O)[C@H](C)N[C@H]2CCCc3c(O)cccc32)cc1OC ZINC000192347364 1432834706 /nfs/dbraw/zinc/83/47/06/1432834706.db2.gz QPTGGTIZXMHMJR-KXBFYZLASA-N 0 1 398.503 3.124 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000192346678 1432834714 /nfs/dbraw/zinc/83/47/14/1432834714.db2.gz OGILCQQNXPOTRZ-LPHOPBHVSA-N 0 1 395.503 3.119 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000192346674 1432834806 /nfs/dbraw/zinc/83/48/06/1432834806.db2.gz OGILCQQNXPOTRZ-APWZRJJASA-N 0 1 395.503 3.119 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H]3CCCc4c(O)cccc43)C2=O)c1 ZINC000192350823 1432835332 /nfs/dbraw/zinc/83/53/32/1432835332.db2.gz ZZLYHQVWUIUCGZ-VQTJNVASSA-N 0 1 382.460 3.182 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H]2CCCc3c(O)cccc32)c(C)c1 ZINC000192357218 1432836286 /nfs/dbraw/zinc/83/62/86/1432836286.db2.gz ZBUDNBJAOQLLSI-IBGZPJMESA-N 0 1 395.503 3.039 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)N2CCCC2)c1 ZINC000192365652 1432837456 /nfs/dbraw/zinc/83/74/56/1432837456.db2.gz JRNHCFGLQHVRNK-QFBILLFUSA-N 0 1 377.554 3.227 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@@H]2CCCc3c(O)cccc32)cc1OC ZINC000192365317 1432837621 /nfs/dbraw/zinc/83/76/21/1432837621.db2.gz YNCICQWBFNPHSU-DNVCBOLYSA-N 0 1 398.503 3.424 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccn1)NC1CCN(Cc2ccccn2)CC1 ZINC000192419609 1432842800 /nfs/dbraw/zinc/84/28/00/1432842800.db2.gz QBUDMSMVCYBERF-UHFFFAOYSA-N 0 1 379.386 3.282 20 0 GGADMN C[C@H](NC(=O)N1CCS[C@H](C)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192427343 1432843982 /nfs/dbraw/zinc/84/39/82/1432843982.db2.gz YHNHIMLAVACRIO-CVEARBPZSA-N 0 1 394.560 3.176 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1nnn(Cc2ccc(F)cc2)c1C)c1ccco1 ZINC000192456544 1432846947 /nfs/dbraw/zinc/84/69/47/1432846947.db2.gz LHSOKGHGIVDSQV-SFHVURJKSA-N 0 1 399.470 3.180 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1nnn(Cc2ccc(F)cc2)c1C)c1ccco1 ZINC000192456551 1432847039 /nfs/dbraw/zinc/84/70/39/1432847039.db2.gz LHSOKGHGIVDSQV-GOSISDBHSA-N 0 1 399.470 3.180 20 0 GGADMN CC(C)c1ccc([C@@H](NCc2cc(=O)n(C)c(=O)n2C)c2cccs2)cc1 ZINC000192485247 1432850094 /nfs/dbraw/zinc/85/00/94/1432850094.db2.gz JYISSZMUZGGPKF-HXUWFJFHSA-N 0 1 383.517 3.148 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000192500607 1432851673 /nfs/dbraw/zinc/85/16/73/1432851673.db2.gz IPZKQTKNZCESMH-HKUYNNGSSA-N 0 1 378.394 3.479 20 0 GGADMN COCc1ccc(NC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1 ZINC000192503036 1432852262 /nfs/dbraw/zinc/85/22/62/1432852262.db2.gz GREXHVHRJIBTLX-UHFFFAOYSA-N 0 1 375.513 3.237 20 0 GGADMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@](C)(N)c1ccccc1 ZINC000192505713 1432852398 /nfs/dbraw/zinc/85/23/98/1432852398.db2.gz HXFTYELDALHPNW-GOSISDBHSA-N 0 1 377.282 3.377 20 0 GGADMN COCc1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1 ZINC000192506252 1432852491 /nfs/dbraw/zinc/85/24/91/1432852491.db2.gz XWEYRZWXBDSFQA-UHFFFAOYSA-N 0 1 384.255 3.124 20 0 GGADMN CCOC(=O)C1=C(CN[C@H](c2ccccc2)C2CC2)NC(=O)N[C@H]1c1ccco1 ZINC000192509453 1432852994 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GGADMN COc1cccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1F ZINC000192673604 1432874069 /nfs/dbraw/zinc/87/40/69/1432874069.db2.gz ULBVECHOIFHPFZ-HOTGVXAUSA-N 0 1 386.467 3.374 20 0 GGADMN O=C(NCC1CC1)C1(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCCC1 ZINC000192687856 1432875492 /nfs/dbraw/zinc/87/54/92/1432875492.db2.gz SZYKRTOVLJQQOO-KRWDZBQOSA-N 0 1 393.890 3.013 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000192688506 1432875676 /nfs/dbraw/zinc/87/56/76/1432875676.db2.gz HUHWARQTMFZNCE-OLZOCXBDSA-N 0 1 387.867 3.026 20 0 GGADMN CCOC(=O)c1oc2c(c1C)[C@H](NCC(=O)N(C)Cc1ccccc1)CCC2 ZINC000192702564 1432877167 /nfs/dbraw/zinc/87/71/67/1432877167.db2.gz CTBOVSSMCXXAKM-QGZVFWFLSA-N 0 1 384.476 3.390 20 0 GGADMN COc1c(C)cc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1C ZINC000192711222 1432878311 /nfs/dbraw/zinc/87/83/11/1432878311.db2.gz DTZGNAOGEINREN-UHFFFAOYSA-N 0 1 375.372 3.031 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N2CC=C(c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000192710883 1432878314 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O=C(CCCCc1cn[nH]n1)OCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000192786933 1432890904 /nfs/dbraw/zinc/89/09/04/1432890904.db2.gz NABQQKOWZQQDBM-UHFFFAOYSA-N 0 1 395.250 3.148 20 0 GGADMN COc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)ccc1Cl ZINC000192791393 1432891581 /nfs/dbraw/zinc/89/15/81/1432891581.db2.gz YULMZBYJNMTLHA-KRWDZBQOSA-N 0 1 389.883 3.015 20 0 GGADMN COc1ccc(NC(=O)C(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000192802459 1432892764 /nfs/dbraw/zinc/89/27/64/1432892764.db2.gz MMUDCTKAUQTMML-UHFFFAOYSA-N 0 1 390.795 3.353 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC000192820857 1432894935 /nfs/dbraw/zinc/89/49/35/1432894935.db2.gz QSGSIGPBLFTPHX-HUUCEWRRSA-N 0 1 395.956 3.262 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000192820875 1432894969 /nfs/dbraw/zinc/89/49/69/1432894969.db2.gz QSGSIGPBLFTPHX-LSDHHAIUSA-N 0 1 395.956 3.262 20 0 GGADMN CCCNC(=O)C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000192839146 1432897324 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CCCCNC(=O)C1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000192869403 1432901306 /nfs/dbraw/zinc/90/13/06/1432901306.db2.gz KHIYUKDMQMWNAK-WMZOPIPTSA-N 0 1 391.581 3.428 20 0 GGADMN CCc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCCC1=O ZINC000192880680 1432902498 /nfs/dbraw/zinc/90/24/98/1432902498.db2.gz BUKHYSBBQLGGJD-QGZVFWFLSA-N 0 1 379.504 3.488 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)NCc2ccccc2CN2CCCC2=O)c(F)c1 ZINC000192880728 1432902542 /nfs/dbraw/zinc/90/25/42/1432902542.db2.gz SWJMAXALHIGAMU-INIZCTEOSA-N 0 1 383.467 3.373 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)c3cnn4ccncc34)cc2Cl)CC1 ZINC000192881087 1432902669 /nfs/dbraw/zinc/90/26/69/1432902669.db2.gz YYKBLOIFBLMPBH-UHFFFAOYSA-N 0 1 398.898 3.167 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cc(N2CCCC2)ccn1)N1CCCC1 ZINC000192883144 1432902978 /nfs/dbraw/zinc/90/29/78/1432902978.db2.gz JWLCIMSSNWJPKK-OAQYLSRUSA-N 0 1 394.519 3.257 20 0 GGADMN CC(C)(C)c1n[nH]c(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 ZINC000192883142 1432903037 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O=C(NCCOc1cccc(Cl)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000194524754 1433191954 /nfs/dbraw/zinc/19/19/54/1433191954.db2.gz MNILCBDOJPQZHR-UHFFFAOYSA-N 0 1 388.899 3.078 20 0 GGADMN O=C(Nc1nc2c(s1)CCCCCC2)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000194524654 1433191993 /nfs/dbraw/zinc/19/19/93/1433191993.db2.gz LOUGGHGABWQQAA-INIZCTEOSA-N 0 1 392.569 3.378 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000194534838 1433193834 /nfs/dbraw/zinc/19/38/34/1433193834.db2.gz TZCLOYLHRBCBEL-UHFFFAOYSA-N 0 1 398.507 3.255 20 0 GGADMN O=C(NCCSC(F)(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000194551212 1433196109 /nfs/dbraw/zinc/19/61/09/1433196109.db2.gz KYQAIUGAGFCARH-UHFFFAOYSA-N 0 1 379.423 3.342 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccncc3C(F)(F)F)n2)c(OC)c1 ZINC000194552769 1433196152 /nfs/dbraw/zinc/19/61/52/1433196152.db2.gz QWDGMFMPWZLGDG-UHFFFAOYSA-N 0 1 393.325 3.155 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000194553207 1433196352 /nfs/dbraw/zinc/19/63/52/1433196352.db2.gz 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AQZUZXQHYWEMLX-UHFFFAOYSA-N 0 1 384.448 3.156 20 0 GGADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000194592526 1433202793 /nfs/dbraw/zinc/20/27/93/1433202793.db2.gz KSBFAMNRMCIMSY-UHFFFAOYSA-N 0 1 387.396 3.174 20 0 GGADMN CCc1cccc(OCCN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000194591944 1433202807 /nfs/dbraw/zinc/20/28/07/1433202807.db2.gz MDYWJRQEYLMNRM-UHFFFAOYSA-N 0 1 394.562 3.132 20 0 GGADMN O=c1cc(CSc2nc(Cc3ccccc3)n[nH]2)nc2ccc(Cl)cn12 ZINC000194593088 1433202986 /nfs/dbraw/zinc/20/29/86/1433202986.db2.gz ROCNPMITLPXPHU-UHFFFAOYSA-N 0 1 383.864 3.349 20 0 GGADMN CC1(NC(=O)C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCC1 ZINC000194594159 1433203038 /nfs/dbraw/zinc/20/30/38/1433203038.db2.gz WKGURTUHYCIABL-UHFFFAOYSA-N 0 1 375.432 3.136 20 0 GGADMN CC1(NC(=O)C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CCC1 ZINC000194594159 1433203041 /nfs/dbraw/zinc/20/30/41/1433203041.db2.gz WKGURTUHYCIABL-UHFFFAOYSA-N 0 1 375.432 3.136 20 0 GGADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)NCC1(c2ccccc2)CC1 ZINC000194599678 1433203553 /nfs/dbraw/zinc/20/35/53/1433203553.db2.gz WGFHAAFDSVXOIG-UHFFFAOYSA-N 0 1 378.501 3.336 20 0 GGADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)c1ccc2c(c1)CCC(=O)N2 ZINC000194601708 1433203883 /nfs/dbraw/zinc/20/38/83/1433203883.db2.gz RNFQCPWWQZJECQ-UHFFFAOYSA-N 0 1 378.457 3.255 20 0 GGADMN COc1cccc(CN(C)C(=O)CSc2nc(Cc3ccccc3)n[nH]2)c1 ZINC000194601590 1433203934 /nfs/dbraw/zinc/20/39/34/1433203934.db2.gz WWTXYRUIQVZUNI-UHFFFAOYSA-N 0 1 382.489 3.155 20 0 GGADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1cnc(Br)cn1 ZINC000194607203 1433204719 /nfs/dbraw/zinc/20/47/19/1433204719.db2.gz HATVOUXRTWXADI-UHFFFAOYSA-N 0 1 397.081 3.488 20 0 GGADMN COC(=O)Cn1ncc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1C ZINC000194610194 1433205019 /nfs/dbraw/zinc/20/50/19/1433205019.db2.gz GKHKLSMUBGRZCZ-UHFFFAOYSA-N 0 1 393.509 3.080 20 0 GGADMN Cc1cc([C@H](C)NC(=O)NCc2cccnc2N2CCN(C)CC2)c(C)s1 ZINC000194622977 1433207000 /nfs/dbraw/zinc/20/70/00/1433207000.db2.gz GGGLFFIBULJOIC-HNNXBMFYSA-N 0 1 387.553 3.072 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1C ZINC000194633543 1433208513 /nfs/dbraw/zinc/20/85/13/1433208513.db2.gz KXQOVPQCHCFTNA-IBGZPJMESA-N 0 1 394.475 3.349 20 0 GGADMN COC(=O)c1cccc2nc(NS(=O)(=O)Cc3ccc(Cl)c(F)c3)[nH]c21 ZINC000194648264 1433210941 /nfs/dbraw/zinc/21/09/41/1433210941.db2.gz XKRNDCWFZAJIHE-UHFFFAOYSA-N 0 1 397.815 3.084 20 0 GGADMN COC(=O)c1cccc2nc(NS(=O)(=O)Cc3cc(Cl)ccc3F)[nH]c21 ZINC000194648282 1433211087 /nfs/dbraw/zinc/21/10/87/1433211087.db2.gz AHBUDEGNRUHUSN-UHFFFAOYSA-N 0 1 397.815 3.084 20 0 GGADMN COC[C@@H](C)CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000194653857 1433211582 /nfs/dbraw/zinc/21/15/82/1433211582.db2.gz ZTPJLBVMEJESFT-AWEZNQCLSA-N 0 1 377.510 3.018 20 0 GGADMN CSC1(CNC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000194668952 1433213053 /nfs/dbraw/zinc/21/30/53/1433213053.db2.gz AGHHROAZSMATQG-UHFFFAOYSA-N 0 1 391.562 3.257 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2C[C@@H](C)OC(C)(C)C2)N2CCCC2)c1 ZINC000194669394 1433213136 /nfs/dbraw/zinc/21/31/36/1433213136.db2.gz UBPLDQNXXFIMRS-VQIMIIECSA-N 0 1 375.513 3.041 20 0 GGADMN CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)OC)ccc3Cl)cc21 ZINC000194689221 1433215838 /nfs/dbraw/zinc/21/58/38/1433215838.db2.gz WTZHOWUVLIJKLR-UHFFFAOYSA-N 0 1 393.852 3.297 20 0 GGADMN C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000194695761 1433216597 /nfs/dbraw/zinc/21/65/97/1433216597.db2.gz DGCCRISSPAGYCR-SJORKVTESA-N 0 1 389.565 3.116 20 0 GGADMN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000194695322 1433216617 /nfs/dbraw/zinc/21/66/17/1433216617.db2.gz ZWUHZRWIKJEDGR-WMZOPIPTSA-N 0 1 389.565 3.211 20 0 GGADMN COCCOc1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c(C)c1 ZINC000194719861 1433219744 /nfs/dbraw/zinc/21/97/44/1433219744.db2.gz OFLBDCBHRRGHFG-UHFFFAOYSA-N 0 1 383.452 3.013 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000194726078 1433220598 /nfs/dbraw/zinc/22/05/98/1433220598.db2.gz BGRWWLKVSSSCIJ-IBGZPJMESA-N 0 1 391.496 3.364 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)[nH]n1 ZINC000194725854 1433220649 /nfs/dbraw/zinc/22/06/49/1433220649.db2.gz JTHMLGWZOBZTHX-UHFFFAOYSA-N 0 1 379.399 3.004 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H](C)n3cnc4ccccc43)n2)c(OC)c1 ZINC000194735935 1433222066 /nfs/dbraw/zinc/22/20/66/1433222066.db2.gz CMMQXGKTOJCPMU-LBPRGKRZSA-N 0 1 392.419 3.038 20 0 GGADMN Cc1cccc(OC(F)F)c1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000194747423 1433223947 /nfs/dbraw/zinc/22/39/47/1433223947.db2.gz UGMCYILHKBKSJT-UHFFFAOYSA-N 0 1 391.399 3.234 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1c(F)cccc1N1CCCC1 ZINC000194756860 1433225552 /nfs/dbraw/zinc/22/55/52/1433225552.db2.gz JFUJXKYITJRNMX-UHFFFAOYSA-N 0 1 398.463 3.063 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2[nH]c1=S ZINC000194758515 1433225957 /nfs/dbraw/zinc/22/59/57/1433225957.db2.gz KHEJUDRSFHSHAR-UHFFFAOYSA-N 0 1 378.413 3.130 20 0 GGADMN C[C@@H](CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)NC(=O)OC(C)(C)C ZINC000194779237 1433230482 /nfs/dbraw/zinc/23/04/82/1433230482.db2.gz KJTQINZGTKEFEQ-VIFPVBQESA-N 0 1 384.889 3.435 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c2cccnc2c1C ZINC000194793965 1433233700 /nfs/dbraw/zinc/23/37/00/1433233700.db2.gz RWEMLUDPGQSYQK-UHFFFAOYSA-N 0 1 383.473 3.354 20 0 GGADMN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cc1 ZINC000194799650 1433235401 /nfs/dbraw/zinc/23/54/01/1433235401.db2.gz GYBCGIWVQRFZBT-UHFFFAOYSA-N 0 1 396.472 3.328 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2nnc3n2CCCC3)c1 ZINC000194810748 1433238028 /nfs/dbraw/zinc/23/80/28/1433238028.db2.gz LNRQIBCJHKNZDO-UHFFFAOYSA-N 0 1 389.503 3.176 20 0 GGADMN COc1ccc2c(c1)[nH]nc2NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000194812470 1433238331 /nfs/dbraw/zinc/23/83/31/1433238331.db2.gz HHDKJMRYHWVSBB-UHFFFAOYSA-N 0 1 394.460 3.396 20 0 GGADMN C[C@@H]1CCCN(CCNC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000194843314 1433246460 /nfs/dbraw/zinc/24/64/60/1433246460.db2.gz KGTNPUCHZGAKHO-MRXNPFEDSA-N 0 1 375.488 3.162 20 0 GGADMN C[C@H](NC(=O)CSC(F)(F)F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000194859886 1433250438 /nfs/dbraw/zinc/25/04/38/1433250438.db2.gz DEMKXHLPKVLZRC-NSHDSACASA-N 0 1 379.423 3.008 20 0 GGADMN CCOC(=O)N1CCCN(CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000194861806 1433251329 /nfs/dbraw/zinc/25/13/29/1433251329.db2.gz KSMUYSKJCILRFD-UHFFFAOYSA-N 0 1 390.459 3.281 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(N2CCNC2=O)cc1 ZINC000194864377 1433251582 /nfs/dbraw/zinc/25/15/82/1433251582.db2.gz OXICVYMPANCMHB-GOSISDBHSA-N 0 1 391.431 3.196 20 0 GGADMN COCc1cccc(CNC(=O)CN2CCC(c3cccc(OC)c3)CC2)c1 ZINC000194874968 1433254338 /nfs/dbraw/zinc/25/43/38/1433254338.db2.gz RXQLQQTYDFBHRK-UHFFFAOYSA-N 0 1 382.504 3.337 20 0 GGADMN COc1cccc(C2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 ZINC000194879302 1433254981 /nfs/dbraw/zinc/25/49/81/1433254981.db2.gz IWPAKEDLYYDCDW-CQSZACIVSA-N 0 1 394.475 3.071 20 0 GGADMN COc1cccc(C2CCN([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)c1 ZINC000194882105 1433256216 /nfs/dbraw/zinc/25/62/16/1433256216.db2.gz WCMKIXBJPDREBI-OAHLLOKOSA-N 0 1 381.476 3.001 20 0 GGADMN Cc1cc(C)n(Cc2cccc(-c3noc(CCCCc4cn[nH]n4)n3)c2)n1 ZINC000194890871 1433257893 /nfs/dbraw/zinc/25/78/93/1433257893.db2.gz GBOPUWOXHSBLRX-UHFFFAOYSA-N 0 1 377.452 3.282 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC1(SC)CC1)N1CCCCC1 ZINC000194912832 1433263567 /nfs/dbraw/zinc/26/35/67/1433263567.db2.gz CHFSWVIKOHFQSC-KRWDZBQOSA-N 0 1 377.554 3.417 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000194927996 1433266123 /nfs/dbraw/zinc/26/61/23/1433266123.db2.gz ZWQMJBJBWGKTIK-UHFFFAOYSA-N 0 1 392.440 3.287 20 0 GGADMN COc1cccc(C2=NO[C@H](C(=O)Nc3[nH]nc(-c4ccc(C)o4)c3C)C2)c1 ZINC000194934529 1433267734 /nfs/dbraw/zinc/26/77/34/1433267734.db2.gz COOIEDQWZGORPN-KRWDZBQOSA-N 0 1 380.404 3.427 20 0 GGADMN COc1cccc(C2=NO[C@@H](C(=O)Nc3[nH]nc(-c4ccc(C)o4)c3C)C2)c1 ZINC000194934546 1433267840 /nfs/dbraw/zinc/26/78/40/1433267840.db2.gz COOIEDQWZGORPN-QGZVFWFLSA-N 0 1 380.404 3.427 20 0 GGADMN C[C@@H](CCNC(=O)[C@@H]1CCCN1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000194951054 1433271306 /nfs/dbraw/zinc/27/13/06/1433271306.db2.gz GJYCIPRXAYBANL-WMZOPIPTSA-N 0 1 375.513 3.071 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1C ZINC000194956874 1433272311 /nfs/dbraw/zinc/27/23/11/1433272311.db2.gz PSOIBUGUTPJLGC-KRWDZBQOSA-N 0 1 384.505 3.284 20 0 GGADMN COc1ccccc1[C@@H](CN[C@H](c1ncc[nH]1)c1cccnc1)N1CCCC1 ZINC000194960855 1433272934 /nfs/dbraw/zinc/27/29/34/1433272934.db2.gz BYHCCZTXVIYYFU-CTNGQTDRSA-N 0 1 377.492 3.329 20 0 GGADMN COc1cccc(CN(Cc2cnc3c(c2)c(C)nn3C)C[C@H]2CCCO2)c1 ZINC000194962805 1433273227 /nfs/dbraw/zinc/27/32/27/1433273227.db2.gz SSGXFWSLDMJZKS-HXUWFJFHSA-N 0 1 380.492 3.467 20 0 GGADMN CCN1CCCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000194962854 1433273281 /nfs/dbraw/zinc/27/32/81/1433273281.db2.gz JTRNOEVRTQPVTG-LJQANCHMSA-N 0 1 375.488 3.304 20 0 GGADMN COc1cccc([C@@H](CN[C@H](c2ncc[nH]2)c2cccnc2)N2CCCC2)c1 ZINC000194962562 1433273485 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0 GGADMN CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3c(C)cccc3OC)cc2)CC1 ZINC000194979176 1433275817 /nfs/dbraw/zinc/27/58/17/1433275817.db2.gz LQTFSOOPDHDCNQ-UHFFFAOYSA-N 0 1 396.535 3.463 20 0 GGADMN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000194987740 1433277006 /nfs/dbraw/zinc/27/70/06/1433277006.db2.gz AOAOLDYCNRYLRX-UHFFFAOYSA-N 0 1 395.456 3.423 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)c(C)c1 ZINC000195006473 1433279772 /nfs/dbraw/zinc/27/97/72/1433279772.db2.gz WJAIQMHPQMLJNK-UHFFFAOYSA-N 0 1 392.521 3.272 20 0 GGADMN CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)Cc1cscn1 ZINC000195029902 1433283158 /nfs/dbraw/zinc/28/31/58/1433283158.db2.gz BFSOCWKNMLFOQO-GOSISDBHSA-N 0 1 392.956 3.182 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCC1CCOCC1 ZINC000195034988 1433283566 /nfs/dbraw/zinc/28/35/66/1433283566.db2.gz RMSPGFBJDMQAAT-UHFFFAOYSA-N 0 1 389.521 3.162 20 0 GGADMN O=S(=O)(NC[C@@H](c1cccs1)N1CCCC1)c1c[nH]c2cccc(F)c21 ZINC000195051629 1433285813 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HXYKKXOHBJCZQL-PGRDOPGGSA-N 0 1 385.552 3.047 20 0 GGADMN C[N@H+]1CCN(Cc2cc(Br)c([O-])c(Br)c2)CC1(C)C ZINC000234359628 1433373850 /nfs/dbraw/zinc/37/38/50/1433373850.db2.gz OGFNILHXLNZXPQ-UHFFFAOYSA-N 0 1 392.135 3.443 20 0 GGADMN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](N)Cc3ccccc3)n2)cc1 ZINC000236614622 1433374526 /nfs/dbraw/zinc/37/45/26/1433374526.db2.gz MKVMUBPJHGUHQW-KRWDZBQOSA-N 0 1 380.473 3.277 20 0 GGADMN CC(C)(CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)Cc1ccccc1 ZINC000236666846 1433375487 /nfs/dbraw/zinc/37/54/87/1433375487.db2.gz FNPUPGDUROQAKB-QFIPXVFZSA-N 0 1 390.531 3.186 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccccc1 ZINC000236661992 1433375556 /nfs/dbraw/zinc/37/55/56/1433375556.db2.gz SIAMZHOURHAYDF-GOTSBHOMSA-N 0 1 390.531 3.357 20 0 GGADMN O=C1[C@@H](NCc2cc3c(c(Br)c2)OCO3)CCN1c1ccccc1 ZINC000236657919 1433375562 /nfs/dbraw/zinc/37/55/62/1433375562.db2.gz DTZDTIUGXFMYDK-HNNXBMFYSA-N 0 1 389.249 3.073 20 0 GGADMN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@@H]2CNCCO2)cc1 ZINC000236674779 1433375706 /nfs/dbraw/zinc/37/57/06/1433375706.db2.gz JMPAJIGTLNSIFV-IBGZPJMESA-N 0 1 381.476 3.163 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000236677380 1433376067 /nfs/dbraw/zinc/37/60/67/1433376067.db2.gz HPYFLZYCRKEKEY-UHFFFAOYSA-N 0 1 382.913 3.364 20 0 GGADMN CC(C)CCC1CCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000236693446 1433376305 /nfs/dbraw/zinc/37/63/05/1433376305.db2.gz YYJQZYLLDCBXQS-QFIPXVFZSA-N 0 1 382.552 3.476 20 0 GGADMN CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000236710304 1433376868 /nfs/dbraw/zinc/37/68/68/1433376868.db2.gz LTFHOMDUKGCHJM-MRXNPFEDSA-N 0 1 395.912 3.453 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000236726457 1433377194 /nfs/dbraw/zinc/37/71/94/1433377194.db2.gz UFUVIFAXYRZTRG-UHFFFAOYSA-N 0 1 382.913 3.163 20 0 GGADMN CCCC[C@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000236727557 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JIQDHVNIDHQOQM-OAHLLOKOSA-N 0 1 386.496 3.293 20 0 GGADMN CCOc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c1OC(F)F ZINC000236888968 1433382243 /nfs/dbraw/zinc/38/22/43/1433382243.db2.gz NPTXVXORMIERFL-MRXNPFEDSA-N 0 1 376.403 3.017 20 0 GGADMN CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000236925006 1433383273 /nfs/dbraw/zinc/38/32/73/1433383273.db2.gz XACDTJMTANFUIC-UGSOOPFHSA-N 0 1 375.494 3.108 20 0 GGADMN CCN(CC)c1ncc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000236953588 1433383950 /nfs/dbraw/zinc/38/39/50/1433383950.db2.gz KUXNVFRWDJBWTP-CQSZACIVSA-N 0 1 396.582 3.090 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000236956686 1433383983 /nfs/dbraw/zinc/38/39/83/1433383983.db2.gz XFYKKJZGZQCIRX-KRWDZBQOSA-N 0 1 376.541 3.445 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000236956686 1433383987 /nfs/dbraw/zinc/38/39/87/1433383987.db2.gz XFYKKJZGZQCIRX-KRWDZBQOSA-N 0 1 376.541 3.445 20 0 GGADMN CCOc1cc(CNCc2ccc(S(C)(=O)=O)cc2)ccc1OC(F)F ZINC000236970963 1433384418 /nfs/dbraw/zinc/38/44/18/1433384418.db2.gz LMOSBVKJAJLNBS-UHFFFAOYSA-N 0 1 385.432 3.380 20 0 GGADMN CCCOc1ccc(-c2csc(NC(=O)CNC[C@H]3CCCO3)n2)cc1 ZINC000236989256 1433385190 /nfs/dbraw/zinc/38/51/90/1433385190.db2.gz CBOMQWMGXLXHSW-MRXNPFEDSA-N 0 1 375.494 3.306 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000236999236 1433385538 /nfs/dbraw/zinc/38/55/38/1433385538.db2.gz IUTCTMMAUUGKLE-UHFFFAOYSA-N 0 1 382.913 3.366 20 0 GGADMN CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000237020246 1433386053 /nfs/dbraw/zinc/38/60/53/1433386053.db2.gz JIFKVIGWHFYYSG-SJKOYZFVSA-N 0 1 395.912 3.453 20 0 GGADMN CN1CCN(c2ccc(NCc3cc(Br)ccc3F)nc2)CC1 ZINC000237040099 1433386831 /nfs/dbraw/zinc/38/68/31/1433386831.db2.gz LXBICDSMQMZVIP-UHFFFAOYSA-N 0 1 379.277 3.347 20 0 GGADMN CN1CCN(c2ccc(NCc3ccc(F)c(Br)c3)nc2)CC1 ZINC000237041198 1433386906 /nfs/dbraw/zinc/38/69/06/1433386906.db2.gz IVHAMPDXKWNZJL-UHFFFAOYSA-N 0 1 379.277 3.347 20 0 GGADMN CCOc1c(OC)cc(CNCC(=O)N2CCCc3ccccc32)cc1OC ZINC000237049164 1433387035 /nfs/dbraw/zinc/38/70/35/1433387035.db2.gz WLFXIXRREOUBSK-UHFFFAOYSA-N 0 1 384.476 3.172 20 0 GGADMN CCOc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3CN2)ccc1OC(F)F ZINC000237071288 1433388050 /nfs/dbraw/zinc/38/80/50/1433388050.db2.gz IVTUKXFFJIPUOT-QGZVFWFLSA-N 0 1 390.430 3.360 20 0 GGADMN COc1cc(CNC2CN(C(=O)OC(C)(C)C)C2)ccc1OCC(F)(F)F ZINC000237116936 1433389763 /nfs/dbraw/zinc/38/97/63/1433389763.db2.gz ZEUZEXBYIIWCNR-UHFFFAOYSA-N 0 1 390.402 3.345 20 0 GGADMN COc1ccc(Br)cc1CNC[C@H](O)COc1cccc(C)c1 ZINC000237134603 1433390536 /nfs/dbraw/zinc/39/05/36/1433390536.db2.gz ZGDNIHWFHHQBCJ-INIZCTEOSA-N 0 1 380.282 3.296 20 0 GGADMN COc1ccc(C)cc1C1(CNC(=O)[C@H]2NCCc3ccccc32)CCOCC1 ZINC000237187858 1433392044 /nfs/dbraw/zinc/39/20/44/1433392044.db2.gz OVXBOMZDBDLBRP-QFIPXVFZSA-N 0 1 394.515 3.055 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000237207055 1433392524 /nfs/dbraw/zinc/39/25/24/1433392524.db2.gz PYWKEIAMCXUITQ-JOCHJYFZSA-N 0 1 388.515 3.470 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000237206349 1433392641 /nfs/dbraw/zinc/39/26/41/1433392641.db2.gz PYWKEIAMCXUITQ-QFIPXVFZSA-N 0 1 388.515 3.470 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N)c2)CC1 ZINC000237219033 1433393120 /nfs/dbraw/zinc/39/31/20/1433393120.db2.gz YZYPCKCJHMMMFV-UHFFFAOYSA-N 0 1 392.425 3.287 20 0 GGADMN COCCNCC(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000237235063 1433393461 /nfs/dbraw/zinc/39/34/61/1433393461.db2.gz XDGFWQNXRZZISV-UHFFFAOYSA-N 0 1 390.793 3.027 20 0 GGADMN COCc1cc(CNCc2ccccc2OCC(=O)N2CCCC2)ccc1F ZINC000237245069 1433393869 /nfs/dbraw/zinc/39/38/69/1433393869.db2.gz UPJNJBBQYRNPPY-UHFFFAOYSA-N 0 1 386.467 3.263 20 0 GGADMN COCCNCC(=O)Nc1cc(-c2ccccc2C)nn1Cc1ccccc1 ZINC000237244874 1433393871 /nfs/dbraw/zinc/39/38/71/1433393871.db2.gz YOJIFQXXGIFSPU-UHFFFAOYSA-N 0 1 378.476 3.081 20 0 GGADMN COCCNCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000237241460 1433393891 /nfs/dbraw/zinc/39/38/91/1433393891.db2.gz BMERELKBJVBMDT-UHFFFAOYSA-N 0 1 383.492 3.411 20 0 GGADMN COc1cc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000237273362 1433395196 /nfs/dbraw/zinc/39/51/96/1433395196.db2.gz ZHSDBMAHSDTYBD-HNNXBMFYSA-N 0 1 386.326 3.151 20 0 GGADMN COc1ccc(OC)c([C@H](O)CNCc2ccc(Br)cc2F)c1 ZINC000237278337 1433395586 /nfs/dbraw/zinc/39/55/86/1433395586.db2.gz HIYSICGTKWLYSU-MRXNPFEDSA-N 0 1 384.245 3.429 20 0 GGADMN COc1cc(C)c([C@H](C)NCc2cnc(N3CCOCC3)s2)cc1OC ZINC000237285444 1433395908 /nfs/dbraw/zinc/39/59/08/1433395908.db2.gz LPUSXRSOUKZGHJ-AWEZNQCLSA-N 0 1 377.510 3.156 20 0 GGADMN C[C@@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)C(C)(C)c1ccccc1 ZINC000237329123 1433397692 /nfs/dbraw/zinc/39/76/92/1433397692.db2.gz NENDVKBYTMXPMW-GCJKJVERSA-N 0 1 390.531 3.284 20 0 GGADMN Cc1cccc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1C ZINC000237330344 1433397717 /nfs/dbraw/zinc/39/77/17/1433397717.db2.gz RTRJMOAFNXCSHH-GCJKJVERSA-N 0 1 376.504 3.295 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1F ZINC000237329666 1433397789 /nfs/dbraw/zinc/39/77/89/1433397789.db2.gz CGRJHQWOHXKJEX-IERDGZPVSA-N 0 1 380.467 3.126 20 0 GGADMN COc1cc2c(c(CNCc3ccc(CN4CCCC4=O)cc3)c1)O[C@@H](C)C2 ZINC000237408097 1433401161 /nfs/dbraw/zinc/40/11/61/1433401161.db2.gz WHQVICNVHHIZAV-INIZCTEOSA-N 0 1 380.488 3.431 20 0 GGADMN COc1cc2c(c(CN[C@@H](Cc3ccccc3)C(=O)N3CCCC3)c1)O[C@H](C)C2 ZINC000237424153 1433402329 /nfs/dbraw/zinc/40/23/29/1433402329.db2.gz JBXMFRSSUNGXNH-VGSWGCGISA-N 0 1 394.515 3.342 20 0 GGADMN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](N)Cc3ccccc3)n2)c1 ZINC000237421868 1433402420 /nfs/dbraw/zinc/40/24/20/1433402420.db2.gz NEOVKBDJGKOAEK-INIZCTEOSA-N 0 1 383.473 3.336 20 0 GGADMN Cc1cn2c(nc(C)c2CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000237435592 1433402830 /nfs/dbraw/zinc/40/28/30/1433402830.db2.gz WNJFCJGCEJFGMZ-CYBMUJFWSA-N 0 1 392.550 3.114 20 0 GGADMN COc1cc2c(c(CN[C@H](Cc3ccccc3)C(=O)N3CCCC3)c1)O[C@H](C)C2 ZINC000237431694 1433402922 /nfs/dbraw/zinc/40/29/22/1433402922.db2.gz JBXMFRSSUNGXNH-VGOFRKELSA-N 0 1 394.515 3.342 20 0 GGADMN Cc1cccc([C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1C ZINC000237436456 1433403158 /nfs/dbraw/zinc/40/31/58/1433403158.db2.gz RTRJMOAFNXCSHH-AVRDEDQJSA-N 0 1 376.504 3.295 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000237437150 1433403245 /nfs/dbraw/zinc/40/32/45/1433403245.db2.gz RIXACSCEGQPUIH-CYBMUJFWSA-N 0 1 398.429 3.315 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237437475 1433403398 /nfs/dbraw/zinc/40/33/98/1433403398.db2.gz INYMEZRKYWSYJX-CYBMUJFWSA-N 0 1 382.430 3.435 20 0 GGADMN COc1cc2[nH]c(CCCNC(=O)[C@H]3NCCc4ccccc43)cc2c(OC)c1 ZINC000237452003 1433403592 /nfs/dbraw/zinc/40/35/92/1433403592.db2.gz JZXGPLHAHIZQOS-QFIPXVFZSA-N 0 1 393.487 3.121 20 0 GGADMN C[C@@H](NC(=O)[C@H]1NCCc2ccccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237450834 1433403727 /nfs/dbraw/zinc/40/37/27/1433403727.db2.gz PJVNQYSOZQIDKV-PXAZEXFGSA-N 0 1 382.851 3.454 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@H](N)Cc3ccccc3)n2)cc1OC ZINC000237458194 1433404261 /nfs/dbraw/zinc/40/42/61/1433404261.db2.gz XKEGBSQZQHTEHM-OAHLLOKOSA-N 0 1 383.473 3.336 20 0 GGADMN COc1ccc(C(=O)C2CCN(C(=O)[C@H]3NCCc4ccccc43)CC2)cc1 ZINC000237483642 1433405345 /nfs/dbraw/zinc/40/53/45/1433405345.db2.gz ZPBVBDDFILKEAB-NRFANRHFSA-N 0 1 378.472 3.004 20 0 GGADMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000237494711 1433406124 /nfs/dbraw/zinc/40/61/24/1433406124.db2.gz HZMFBOTZKKNCLR-KKSFZXQISA-N 0 1 377.488 3.354 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)[C@@H]3Cc4ccccc4CN3)cn2)c1 ZINC000237528564 1433408010 /nfs/dbraw/zinc/40/80/10/1433408010.db2.gz ZDGYTVWFSPXAHG-NRFANRHFSA-N 0 1 389.455 3.213 20 0 GGADMN C[C@H](NC1CCN(Cc2ccncc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000237533349 1433408546 /nfs/dbraw/zinc/40/85/46/1433408546.db2.gz PCCZMSSSJCIMIN-KRWDZBQOSA-N 0 1 377.492 3.371 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)CCN1 ZINC000237572621 1433410344 /nfs/dbraw/zinc/41/03/44/1433410344.db2.gz HUTWARPOZPIQBN-HNNXBMFYSA-N 0 1 389.455 3.107 20 0 GGADMN Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237587446 1433411080 /nfs/dbraw/zinc/41/10/80/1433411080.db2.gz PHKHXUNPRCCVTA-UHFFFAOYSA-N 0 1 387.505 3.253 20 0 GGADMN Cc1ccc(NC(=O)CCCCC[NH3+])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237603148 1433412396 /nfs/dbraw/zinc/41/23/96/1433412396.db2.gz PHLBZNYUMIUXKW-UHFFFAOYSA-N 0 1 375.494 3.253 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000237632523 1433413441 /nfs/dbraw/zinc/41/34/41/1433413441.db2.gz PZYFKSSDQMNMGF-INIZCTEOSA-N 0 1 393.896 3.140 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000237629064 1433413723 /nfs/dbraw/zinc/41/37/23/1433413723.db2.gz ZWILDBRPGWSZGE-FQEVSTJZSA-N 0 1 395.484 3.434 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237634117 1433414146 /nfs/dbraw/zinc/41/41/46/1433414146.db2.gz CEEIOPXDRBUGNG-CVEARBPZSA-N 0 1 387.505 3.252 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1CNCCn1c2ccccc2[nH]c1=O ZINC000237657873 1433415449 /nfs/dbraw/zinc/41/54/49/1433415449.db2.gz IGNMAUGAPXVEOQ-UHFFFAOYSA-N 0 1 395.894 3.326 20 0 GGADMN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1NCCc2ccccc21 ZINC000237673592 1433416389 /nfs/dbraw/zinc/41/63/89/1433416389.db2.gz SAURUGSQFYREHY-HXUWFJFHSA-N 0 1 384.907 3.391 20 0 GGADMN Cc1occc1C(=O)Nc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1F ZINC000237676831 1433416679 /nfs/dbraw/zinc/41/66/79/1433416679.db2.gz PKNUTBXVTWSLQQ-GOSISDBHSA-N 0 1 381.407 3.488 20 0 GGADMN FC(F)(F)COc1cccc(CNCc2cnc(N3CCOCC3)s2)c1 ZINC000237700901 1433417725 /nfs/dbraw/zinc/41/77/25/1433417725.db2.gz YLUROKFJYVWBEN-UHFFFAOYSA-N 0 1 387.427 3.211 20 0 GGADMN Cc1sc(CCNC(=O)[C@@H]2Cc3ccccc3CN2)nc1-c1ccccc1 ZINC000237724953 1433419073 /nfs/dbraw/zinc/41/90/73/1433419073.db2.gz CWXXNQOSPFFGFF-IBGZPJMESA-N 0 1 377.513 3.492 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000237749504 1433420613 /nfs/dbraw/zinc/42/06/13/1433420613.db2.gz UVDHNJKWSACQPQ-OALUTQOASA-N 0 1 390.405 3.320 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c(OCC(F)(F)F)c1 ZINC000237747915 1433420846 /nfs/dbraw/zinc/42/08/46/1433420846.db2.gz CIBNSVGPKCBYAN-KRWDZBQOSA-N 0 1 378.394 3.267 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3CCCC[NH2+]3)ccc2C)c1 ZINC000237754777 1433421106 /nfs/dbraw/zinc/42/11/06/1433421106.db2.gz KVMWQLHUKUGHIC-GOSISDBHSA-N 0 1 387.505 3.185 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@]3(C)CC[NH2+]C3)ccc2C)c1 ZINC000237754682 1433421152 /nfs/dbraw/zinc/42/11/52/1433421152.db2.gz DGDPIROSMAQKAA-FQEVSTJZSA-N 0 1 387.505 3.042 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccc(-n2cccn2)cc1 ZINC000237769439 1433422582 /nfs/dbraw/zinc/42/25/82/1433422582.db2.gz OHLKZBDCFWHNTP-UHFFFAOYSA-N 0 1 379.386 3.145 20 0 GGADMN NC(=O)c1cccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000237768796 1433422688 /nfs/dbraw/zinc/42/26/88/1433422688.db2.gz VWHYFIRBMZWJFX-UHFFFAOYSA-N 0 1 377.419 3.467 20 0 GGADMN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1Cc2ccccc2CN1 ZINC000237771869 1433422867 /nfs/dbraw/zinc/42/28/67/1433422867.db2.gz NSDWVOPPIJCARV-AWEZNQCLSA-N 0 1 383.345 3.014 20 0 GGADMN Fc1cccc(N2CCCC2)c1CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000237795860 1433424750 /nfs/dbraw/zinc/42/47/50/1433424750.db2.gz SPUJWNIRPSBNKR-HXUWFJFHSA-N 0 1 383.511 3.417 20 0 GGADMN N[C@@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000237807778 1433424929 /nfs/dbraw/zinc/42/49/29/1433424929.db2.gz GAXNMFZJHKPIRT-FUHWJXTLSA-N 0 1 380.423 3.282 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000237820093 1433426061 /nfs/dbraw/zinc/42/60/61/1433426061.db2.gz CQSFUYPSDJBJTA-KRWDZBQOSA-N 0 1 375.925 3.402 20 0 GGADMN N[C@H](C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1 ZINC000237825597 1433426587 /nfs/dbraw/zinc/42/65/87/1433426587.db2.gz YUNMHELBTJLKAP-IBGZPJMESA-N 0 1 379.439 3.449 20 0 GGADMN O=C(CNC[C@H]1CCCO1)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000237854425 1433429090 /nfs/dbraw/zinc/42/90/90/1433429090.db2.gz HUNFRQHCOONBRB-LLVKDONJSA-N 0 1 383.420 3.119 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2NCCc3ccccc32)c(OC[C@H]2CCCO2)c1 ZINC000237872405 1433430441 /nfs/dbraw/zinc/43/04/41/1433430441.db2.gz YSXJEQJEAYJPML-DENIHFKCSA-N 0 1 380.488 3.056 20 0 GGADMN [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000237877711 1433430747 /nfs/dbraw/zinc/43/07/47/1433430747.db2.gz WAZGMKLHFPEMND-UKRRQHHQSA-N 0 1 391.468 3.083 20 0 GGADMN O=C(CNC[C@H]1CCCO1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000237888239 1433431784 /nfs/dbraw/zinc/43/17/84/1433431784.db2.gz YQTDDHPNGUEXHQ-CQSZACIVSA-N 0 1 399.438 3.460 20 0 GGADMN FC(F)(F)COc1ccccc1CNCc1cnc(N2CCOCC2)s1 ZINC000237900698 1433433056 /nfs/dbraw/zinc/43/30/56/1433433056.db2.gz VFMGMTSKEJQWRY-UHFFFAOYSA-N 0 1 387.427 3.211 20 0 GGADMN Cc1nc2n(n1)C[C@H](NCc1c(C)nn(Cc3ccc(C)cc3)c1Cl)CC2 ZINC000237903264 1433433399 /nfs/dbraw/zinc/43/33/99/1433433399.db2.gz FLRYHOUXQTXHLO-QGZVFWFLSA-N 0 1 384.915 3.206 20 0 GGADMN [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000237903838 1433433402 /nfs/dbraw/zinc/43/34/02/1433433402.db2.gz WAZGMKLHFPEMND-DZGCQCFKSA-N 0 1 391.468 3.083 20 0 GGADMN Cc1ccc(N2CC[C@@H](NCc3ccc(OC[C@H]4CCCO4)cc3)C2=O)cc1 ZINC000237916060 1433433967 /nfs/dbraw/zinc/43/39/67/1433433967.db2.gz QTSNVFWHRQOBPF-FGZHOGPDSA-N 0 1 380.488 3.448 20 0 GGADMN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1NCCc2ccccc21 ZINC000237914361 1433434085 /nfs/dbraw/zinc/43/40/85/1433434085.db2.gz VWLYHJVKQQXDEU-OAQYLSRUSA-N 0 1 387.487 3.497 20 0 GGADMN O=C(CNCc1cccc(OCc2ccccn2)c1)NCCc1ccccc1 ZINC000237949984 1433436605 /nfs/dbraw/zinc/43/66/05/1433436605.db2.gz JTTBCCONVCCLEU-UHFFFAOYSA-N 0 1 375.472 3.109 20 0 GGADMN O=C(CNCc1cn(-c2ccccc2)nc1-c1cccnc1)NC1CCCCC1 ZINC000237950588 1433436789 /nfs/dbraw/zinc/43/67/89/1433436789.db2.gz XLHKCTFAHWEMEX-UHFFFAOYSA-N 0 1 389.503 3.473 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@H]1Cc2ccccc2CN1 ZINC000237952649 1433436808 /nfs/dbraw/zinc/43/68/08/1433436808.db2.gz VRFXFSUJSNWBQA-OAQYLSRUSA-N 0 1 377.488 3.356 20 0 GGADMN [NH3+]CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000237964837 1433437487 /nfs/dbraw/zinc/43/74/87/1433437487.db2.gz ZWMVNCKQRWQMCL-UHFFFAOYSA-N 0 1 397.447 3.223 20 0 GGADMN NCc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)o1 ZINC000238007083 1433439052 /nfs/dbraw/zinc/43/90/52/1433439052.db2.gz JWBHWQAHIMZVHX-UHFFFAOYSA-N 0 1 376.478 3.238 20 0 GGADMN N[C@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000238008175 1433439073 /nfs/dbraw/zinc/43/90/73/1433439073.db2.gz GAXNMFZJHKPIRT-AEFFLSMTSA-N 0 1 380.423 3.282 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000238031756 1433440184 /nfs/dbraw/zinc/44/01/84/1433440184.db2.gz HHUROCMENJBNEG-JOCHJYFZSA-N 0 1 375.516 3.002 20 0 GGADMN O=C(C[NH2+]Cc1cc(Cl)ccc1[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000238063509 1433441451 /nfs/dbraw/zinc/44/14/51/1433441451.db2.gz DXBGSTWHRZXMKT-UHFFFAOYSA-N 0 1 394.302 3.137 20 0 GGADMN NCc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000238063564 1433441498 /nfs/dbraw/zinc/44/14/98/1433441498.db2.gz LYORWRHSDWZKDW-UHFFFAOYSA-N 0 1 375.472 3.286 20 0 GGADMN NCc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)o1 ZINC000238063187 1433441510 /nfs/dbraw/zinc/44/15/10/1433441510.db2.gz BPIULAPRLUIWPD-ZDUSSCGKSA-N 0 1 386.839 3.462 20 0 GGADMN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1NCCc2ccccc21 ZINC000238128667 1433443561 /nfs/dbraw/zinc/44/35/61/1433443561.db2.gz YRYMLOQQFJTPPQ-FYYLOGMGSA-N 0 1 386.499 3.312 20 0 GGADMN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1Cc2ccccc2CN1 ZINC000238128714 1433443652 /nfs/dbraw/zinc/44/36/52/1433443652.db2.gz RSHCKIKFYASUHC-YADHBBJMSA-N 0 1 386.499 3.140 20 0 GGADMN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1NCCc2ccccc21 ZINC000238121338 1433443688 /nfs/dbraw/zinc/44/36/88/1433443688.db2.gz PYDQLXDTKXKRDZ-FQEVSTJZSA-N 0 1 390.443 3.352 20 0 GGADMN O[C@H](CNCc1ccc(Br)cc1F)COc1ccc(F)c(F)c1 ZINC000238134770 1433443815 /nfs/dbraw/zinc/44/38/15/1433443815.db2.gz VYPXGQXVGKHNGP-GFCCVEGCSA-N 0 1 390.199 3.396 20 0 GGADMN O=C(Nc1cccc(CNC(=O)[C@@H]2NCCc3ccccc32)c1)C1CCCC1 ZINC000238136137 1433443958 /nfs/dbraw/zinc/44/39/58/1433443958.db2.gz LSKUAJJIHIFOAZ-OAQYLSRUSA-N 0 1 377.488 3.319 20 0 GGADMN O=C(NCc1ccccc1)c1cc(N2CCN(Cc3ccccc3)CC2)ccn1 ZINC000243671407 1433450368 /nfs/dbraw/zinc/45/03/68/1433450368.db2.gz PEEORWQGQIAVPY-UHFFFAOYSA-N 0 1 386.499 3.334 20 0 GGADMN CC(C)[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245199737 1433453799 /nfs/dbraw/zinc/45/37/99/1433453799.db2.gz FEYZIJQJLHAGDR-FXAWDEMLSA-N 0 1 389.540 3.347 20 0 GGADMN CCN(C(=O)[C@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000245199275 1433454030 /nfs/dbraw/zinc/45/40/30/1433454030.db2.gz GUIHSYNZYCQRTC-IRXDYDNUSA-N 0 1 381.561 3.403 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245200763 1433454140 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AHYKRMHRDKQWEV-NLWGTHIKSA-N 0 1 397.544 3.158 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000245746525 1433510222 /nfs/dbraw/zinc/51/02/22/1433510222.db2.gz AHYKRMHRDKQWEV-NLWGTHIKSA-N 0 1 397.544 3.158 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000245746517 1433510256 /nfs/dbraw/zinc/51/02/56/1433510256.db2.gz AHYKRMHRDKQWEV-CMKODMSKSA-N 0 1 397.544 3.158 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000245746517 1433510261 /nfs/dbraw/zinc/51/02/61/1433510261.db2.gz AHYKRMHRDKQWEV-CMKODMSKSA-N 0 1 397.544 3.158 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000245746894 1433510441 /nfs/dbraw/zinc/51/04/41/1433510441.db2.gz MXWVCPXCJRQSMH-FXAWDEMLSA-N 0 1 394.943 3.052 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245747966 1433510905 /nfs/dbraw/zinc/51/09/05/1433510905.db2.gz XCZLEXSCFHTCNS-CRAIPNDOSA-N 0 1 389.858 3.001 20 0 GGADMN CCOc1cc(CN2CCS[C@H](C)[C@H]2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000245751138 1433511502 /nfs/dbraw/zinc/51/15/02/1433511502.db2.gz NTUAPNRLTRLHRA-BZUAXINKSA-N 0 1 380.554 3.267 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245756306 1433512743 /nfs/dbraw/zinc/51/27/43/1433512743.db2.gz ZNVGMYQUYPAXKO-SPYBWZPUSA-N 0 1 376.451 3.264 20 0 GGADMN CN1CC[C@H](CNC(=O)CCOC[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245762262 1433513436 /nfs/dbraw/zinc/51/34/36/1433513436.db2.gz ZQTOXWMBZYZTPP-QINHECLXSA-N 0 1 398.906 3.174 20 0 GGADMN CCOc1cc(CN2CCS[C@@H](CC)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000245765214 1433513952 /nfs/dbraw/zinc/51/39/52/1433513952.db2.gz QQXGWSKYSFSRSD-WBVHZDCISA-N 0 1 380.554 3.268 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000245770274 1433514366 /nfs/dbraw/zinc/51/43/66/1433514366.db2.gz SCFMGVBRVGNIMU-UYAOXDASSA-N 0 1 379.508 3.129 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2SC)CCN1CCOC ZINC000245776424 1433515937 /nfs/dbraw/zinc/51/59/37/1433515937.db2.gz ADBAJWWEDIGTOI-SJORKVTESA-N 0 1 379.570 3.168 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245781800 1433517010 /nfs/dbraw/zinc/51/70/10/1433517010.db2.gz VBRCZRLBXXGWSA-WOJBJXKFSA-N 0 1 393.535 3.443 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245795527 1433518877 /nfs/dbraw/zinc/51/88/77/1433518877.db2.gz OMEVUYPODCCTSJ-WCIYBSDLSA-N 0 1 395.547 3.218 20 0 GGADMN CCN(C)[C@H](C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000245811531 1433521470 /nfs/dbraw/zinc/52/14/70/1433521470.db2.gz HHEHYLVBSRINLK-HKUYNNGSSA-N 0 1 380.410 3.246 20 0 GGADMN C[C@H](SCc1ccccc1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245818179 1433522113 /nfs/dbraw/zinc/52/21/13/1433522113.db2.gz DKOAFGOWYQIZEF-DZFGPLHGSA-N 0 1 384.545 3.060 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@H](C)c2cn(C)nc2C)CCN1Cc1ccccc1 ZINC000245825392 1433522754 /nfs/dbraw/zinc/52/27/54/1433522754.db2.gz AUTLMNFBPPWJKN-XLIONFOSSA-N 0 1 383.540 3.486 20 0 GGADMN CC[C@H](Sc1ccccc1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245830184 1433523048 /nfs/dbraw/zinc/52/30/48/1433523048.db2.gz GFJIRQNSFVVGGT-ZVDOUQERSA-N 0 1 384.545 3.309 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000245834223 1433523407 /nfs/dbraw/zinc/52/34/07/1433523407.db2.gz GSHPRULJGRCRKL-LSDHHAIUSA-N 0 1 395.286 3.064 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cc(-c2ccccc2)on1 ZINC000245840482 1433525024 /nfs/dbraw/zinc/52/50/24/1433525024.db2.gz HRGTYISQRHFWFQ-OALUTQOASA-N 0 1 392.459 3.099 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(OC(F)F)c1 ZINC000245849779 1433525934 /nfs/dbraw/zinc/52/59/34/1433525934.db2.gz JDNKPJZSLWVJFN-DLBZAZTESA-N 0 1 391.418 3.045 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cccc(OC(F)F)c1 ZINC000245849789 1433526156 /nfs/dbraw/zinc/52/61/56/1433526156.db2.gz JDNKPJZSLWVJFN-IRXDYDNUSA-N 0 1 391.418 3.045 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000245854455 1433526947 /nfs/dbraw/zinc/52/69/47/1433526947.db2.gz JTMBSFYYOHEYGF-FZZWXMEGSA-N 0 1 390.527 3.032 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245855484 1433527382 /nfs/dbraw/zinc/52/73/82/1433527382.db2.gz ODVCIYGWNIFVJI-FUHWJXTLSA-N 0 1 375.513 3.053 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@H]1CCCc2ccccc21 ZINC000245860244 1433529023 /nfs/dbraw/zinc/52/90/23/1433529023.db2.gz KQUHVZMWHXLDOA-NQIIRXRSSA-N 0 1 380.536 3.211 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@H]1CCCc2ccccc21 ZINC000245860251 1433529193 /nfs/dbraw/zinc/52/91/93/1433529193.db2.gz KQUHVZMWHXLDOA-RXVVDRJESA-N 0 1 380.536 3.211 20 0 GGADMN C[C@H](CC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)cc1F ZINC000245863837 1433529616 /nfs/dbraw/zinc/52/96/16/1433529616.db2.gz LCKDBRUOAKMOTR-AYOQOUSVSA-N 0 1 388.458 3.210 20 0 GGADMN C[C@H](CCc1cccc(F)c1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245864027 1433530021 /nfs/dbraw/zinc/53/00/21/1433530021.db2.gz LDLYPLASTSMINH-ZPMCFJSWSA-N 0 1 384.495 3.146 20 0 GGADMN CCN(C)[C@@H](C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245866205 1433530049 /nfs/dbraw/zinc/53/00/49/1433530049.db2.gz UAVNDTOECXLKQE-IEBWSBKVSA-N 0 1 389.540 3.443 20 0 GGADMN CCCOc1ccc(CNC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245866802 1433530573 /nfs/dbraw/zinc/53/05/73/1433530573.db2.gz LLMRQGBCXWMWRL-ICSRJNTNSA-N 0 1 392.565 3.078 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@H](C)c2cnn(C)c2C)CC[N@H+]1Cc1ccccc1 ZINC000245883090 1433532977 /nfs/dbraw/zinc/53/29/77/1433532977.db2.gz LEPFHOPTHLEDEG-XLIONFOSSA-N 0 1 383.540 3.486 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@H](C)c2cnn(C)c2C)CCN1Cc1ccccc1 ZINC000245883090 1433532982 /nfs/dbraw/zinc/53/29/82/1433532982.db2.gz LEPFHOPTHLEDEG-XLIONFOSSA-N 0 1 383.540 3.486 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(Cl)cc1F ZINC000245881329 1433533294 /nfs/dbraw/zinc/53/32/94/1433533294.db2.gz NGLYPZZMJKHPHO-JKSUJKDBSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(CSc1ccccc1Cl)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245889202 1433534263 /nfs/dbraw/zinc/53/42/63/1433534263.db2.gz OIBHIBDZRPWVHD-IRXDYDNUSA-N 0 1 390.936 3.184 20 0 GGADMN C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245888849 1433534519 /nfs/dbraw/zinc/53/45/19/1433534519.db2.gz OEVFXNBIXWWRAW-NSISKUIASA-N 0 1 386.923 3.270 20 0 GGADMN CN(C[C@@H](O)c1c(F)cccc1F)[C@H](CO)c1cccc(Br)c1 ZINC000245887848 1433534524 /nfs/dbraw/zinc/53/45/24/1433534524.db2.gz JDHKEHXGGDBELV-HZPDHXFCSA-N 0 1 386.236 3.426 20 0 GGADMN CN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245891659 1433535096 /nfs/dbraw/zinc/53/50/96/1433535096.db2.gz GAVFEZDMPNSAET-SJLPKXTDSA-N 0 1 375.513 3.005 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cc(Cl)ccc1F ZINC000245895406 1433536634 /nfs/dbraw/zinc/53/66/34/1433536634.db2.gz PEMVCVYZXLKUBB-HOTGVXAUSA-N 0 1 377.847 3.236 20 0 GGADMN Cc1ccc(NC(=O)C2CCN([C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)nc1 ZINC000245898242 1433537173 /nfs/dbraw/zinc/53/71/73/1433537173.db2.gz AHADSVIXLOIDOE-KZNAEPCWSA-N 0 1 386.540 3.219 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cccc(C(F)F)c1 ZINC000245905081 1433538928 /nfs/dbraw/zinc/53/89/28/1433538928.db2.gz QNHPIRDMDFMRQV-ROUUACIJSA-N 0 1 375.419 3.381 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(C(F)F)c1 ZINC000245905084 1433539350 /nfs/dbraw/zinc/53/93/50/1433539350.db2.gz QNHPIRDMDFMRQV-ZWKOTPCHSA-N 0 1 375.419 3.381 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000245910778 1433540055 /nfs/dbraw/zinc/54/00/55/1433540055.db2.gz RDUHWUKPYXVROP-ZULIPRJHSA-N 0 1 384.907 3.195 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000245915093 1433541289 /nfs/dbraw/zinc/54/12/89/1433541289.db2.gz RSZBOIPLKHERQA-FKBYEOEOSA-N 0 1 379.504 3.072 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000245913649 1433541486 /nfs/dbraw/zinc/54/14/86/1433541486.db2.gz MUYWZQNZPAVNCO-HOTGVXAUSA-N 0 1 392.569 3.175 20 0 GGADMN O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245916775 1433541873 /nfs/dbraw/zinc/54/18/73/1433541873.db2.gz SAQGEHLIMBMRGN-RBUKOAKNSA-N 0 1 397.906 3.115 20 0 GGADMN Cc1cccnc1[C@H](NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C(C)C ZINC000245920595 1433542878 /nfs/dbraw/zinc/54/28/78/1433542878.db2.gz SMCGFGQKTMHJQJ-PWRODBHTSA-N 0 1 396.535 3.022 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C[C@@H]1CCCOC1 ZINC000245921315 1433543271 /nfs/dbraw/zinc/54/32/71/1433543271.db2.gz MKHYWASOHKKVHJ-DOTOQJQBSA-N 0 1 387.505 3.377 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCN1CCOC ZINC000245925432 1433543987 /nfs/dbraw/zinc/54/39/87/1433543987.db2.gz OLOZPRZPCMZFPI-WBVHZDCISA-N 0 1 397.947 3.108 20 0 GGADMN CC(C)[C@H](CNC(=O)CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000245924630 1433544343 /nfs/dbraw/zinc/54/43/43/1433544343.db2.gz XHPGUTUSXOQVHU-BVSLBCMMSA-N 0 1 397.563 3.018 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@H](C)c2cccc3ccccc32)CCN1CCOC ZINC000245924246 1433544436 /nfs/dbraw/zinc/54/44/36/1433544436.db2.gz OIXLQEYBRWYRES-CTNGQTDRSA-N 0 1 397.563 3.450 20 0 GGADMN CN(C[C@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000245927024 1433544679 /nfs/dbraw/zinc/54/46/79/1433544679.db2.gz XAVYRWVGIVKOID-VQIMIIECSA-N 0 1 387.524 3.195 20 0 GGADMN C[C@H](c1ccccc1)[C@H](C)NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245927347 1433544723 /nfs/dbraw/zinc/54/47/23/1433544723.db2.gz UHLQAKBLTIKEIE-YHDSQAASSA-N 0 1 381.520 3.113 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000245930336 1433545589 /nfs/dbraw/zinc/54/55/89/1433545589.db2.gz ZXMDNUIHTOSDSN-OPYAIIAOSA-N 0 1 388.556 3.100 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(-c2ccoc2)c1 ZINC000245929028 1433545718 /nfs/dbraw/zinc/54/57/18/1433545718.db2.gz UORLIHYKHNBRBP-VXKWHMMOSA-N 0 1 376.456 3.312 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 ZINC000245930877 1433546333 /nfs/dbraw/zinc/54/63/33/1433546333.db2.gz VBYDLFVSPIUWFV-VFNWGFHPSA-N 0 1 380.492 3.268 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245934796 1433546559 /nfs/dbraw/zinc/54/65/59/1433546559.db2.gz VJQALBDNHDWJSX-PVAVHDDUSA-N 0 1 398.519 3.471 20 0 GGADMN CCC[C@H]1CN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCN1CCOC ZINC000245934138 1433546656 /nfs/dbraw/zinc/54/66/56/1433546656.db2.gz PSGUILQYYNVING-LPHOPBHVSA-N 0 1 397.922 3.017 20 0 GGADMN O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245933685 1433546719 /nfs/dbraw/zinc/54/67/19/1433546719.db2.gz VGKWWISIHYYHNI-LEWJYISDSA-N 0 1 391.515 3.242 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)c2C1 ZINC000245933185 1433546954 /nfs/dbraw/zinc/54/69/54/1433546954.db2.gz YYFGDNVQVOZRHJ-CJNGLKHVSA-N 0 1 383.414 3.054 20 0 GGADMN C[C@H](NC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000245935906 1433547142 /nfs/dbraw/zinc/54/71/42/1433547142.db2.gz VPWUFEGAPQHOBR-CWFSZBLJSA-N 0 1 387.911 3.336 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245939460 1433548000 /nfs/dbraw/zinc/54/80/00/1433548000.db2.gz TWUXXTXVOWNJJK-GMAHTHKFSA-N 0 1 391.515 3.100 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000245940796 1433548026 /nfs/dbraw/zinc/54/80/26/1433548026.db2.gz QYENPTWZICMGNJ-UONLAYADSA-N 0 1 389.540 3.051 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000245945640 1433548830 /nfs/dbraw/zinc/54/88/30/1433548830.db2.gz KLSUIGIBDQLBLV-RMJJICAUSA-N 0 1 377.573 3.040 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cnn([C@H](C)CC)c2C2CC2)CCN1CCOC ZINC000245954672 1433550120 /nfs/dbraw/zinc/55/01/20/1433550120.db2.gz TUHYSFALIVHCHD-SJLPKXTDSA-N 0 1 376.545 3.304 20 0 GGADMN CSc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1F ZINC000245967334 1433551436 /nfs/dbraw/zinc/55/14/36/1433551436.db2.gz VSBTWOCFKSWWED-PKOBYXMFSA-N 0 1 388.508 3.160 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC[N@H+]1CCOC ZINC000245970578 1433551925 /nfs/dbraw/zinc/55/19/25/1433551925.db2.gz WFXQEUNFUXCJMW-CVEARBPZSA-N 0 1 399.482 3.048 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2OC(F)F)CCN1CCOC ZINC000245970578 1433551929 /nfs/dbraw/zinc/55/19/29/1433551929.db2.gz WFXQEUNFUXCJMW-CVEARBPZSA-N 0 1 399.482 3.048 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000245968291 1433551959 /nfs/dbraw/zinc/55/19/59/1433551959.db2.gz UZELJZYPEMQXSR-YHYVQYDKSA-N 0 1 394.519 3.436 20 0 GGADMN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000245969996 1433552039 /nfs/dbraw/zinc/55/20/39/1433552039.db2.gz FLVSCEDKRLOTLJ-KZNAEPCWSA-N 0 1 395.503 3.225 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245971429 1433552238 /nfs/dbraw/zinc/55/22/38/1433552238.db2.gz AQMXKYZNZJJOCC-FRRDWIJNSA-N 0 1 399.322 3.491 20 0 GGADMN 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1433589973 /nfs/dbraw/zinc/58/99/73/1433589973.db2.gz BIGOVJRYCZKPET-IFMALSPDSA-N 0 1 398.528 3.107 20 0 GGADMN COC(=O)[C@]1(C)CCN(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000246287535 1433589976 /nfs/dbraw/zinc/58/99/76/1433589976.db2.gz BIGOVJRYCZKPET-IFMALSPDSA-N 0 1 398.528 3.107 20 0 GGADMN CCOC[C@H]1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000246310214 1433592823 /nfs/dbraw/zinc/59/28/23/1433592823.db2.gz ZFYSIAQSKLDYGD-MGPUTAFESA-N 0 1 376.497 3.451 20 0 GGADMN COCCCNC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246309599 1433592840 /nfs/dbraw/zinc/59/28/40/1433592840.db2.gz DBWPAPIDGIADTN-MSOLQXFVSA-N 0 1 386.540 3.338 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246315805 1433593725 /nfs/dbraw/zinc/59/37/25/1433593725.db2.gz RENFZCCDLKGLGI-VCOUNFBDSA-N 0 1 383.536 3.071 20 0 GGADMN C[C@@H]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1n1ccnc1 ZINC000246318356 1433594301 /nfs/dbraw/zinc/59/43/01/1433594301.db2.gz RJPAAWFCPFETMV-RDTXWAMCSA-N 0 1 378.879 3.217 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCCC[C@@H]2[C@H](C)O)cs1 ZINC000246324863 1433595250 /nfs/dbraw/zinc/59/52/50/1433595250.db2.gz ITXTZZWWXWUSHR-IFXJQAMLSA-N 0 1 385.533 3.243 20 0 GGADMN CN1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000246328111 1433595614 /nfs/dbraw/zinc/59/56/14/1433595614.db2.gz TZESYAFKIMZNFH-HXUWFJFHSA-N 0 1 390.487 3.337 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000246328906 1433595632 /nfs/dbraw/zinc/59/56/32/1433595632.db2.gz JOKOHBXOKOEEIC-IKGGRYGDSA-N 0 1 396.362 3.335 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000246337073 1433596522 /nfs/dbraw/zinc/59/65/22/1433596522.db2.gz HJTSMCQFGWTDCQ-SJLPKXTDSA-N 0 1 387.373 3.250 20 0 GGADMN O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246349054 1433598455 /nfs/dbraw/zinc/59/84/55/1433598455.db2.gz WNNHCCVCNFDPGJ-WIYYLYMNSA-N 0 1 393.535 3.204 20 0 GGADMN O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246351122 1433599136 /nfs/dbraw/zinc/59/91/36/1433599136.db2.gz MORHJMBHRXOSNU-BBRMVZONSA-N 0 1 388.455 3.343 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000246365869 1433601516 /nfs/dbraw/zinc/60/15/16/1433601516.db2.gz YSEILNVRUBRZSG-QFIPXVFZSA-N 0 1 376.504 3.488 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000246367556 1433602213 /nfs/dbraw/zinc/60/22/13/1433602213.db2.gz QSYHARWOFMBXRG-RYRKJORJSA-N 0 1 381.561 3.307 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000246374594 1433602952 /nfs/dbraw/zinc/60/29/52/1433602952.db2.gz AMXNCOMTTSGEDD-CZUORRHYSA-N 0 1 391.903 3.433 20 0 GGADMN Cc1ccccc1CNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246392565 1433605712 /nfs/dbraw/zinc/60/57/12/1433605712.db2.gz AYRMACZOWIRHGH-HKUYNNGSSA-N 0 1 389.540 3.236 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000246397534 1433606591 /nfs/dbraw/zinc/60/65/91/1433606591.db2.gz PTIJDVBCFDNBLT-YWZLYKJASA-N 0 1 380.492 3.016 20 0 GGADMN COC(=O)[C@]1(C)CCN(CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000246408814 1433608372 /nfs/dbraw/zinc/60/83/72/1433608372.db2.gz JFHXXQXYPYPSER-SIKLNZKXSA-N 0 1 388.508 3.024 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246409981 1433608788 /nfs/dbraw/zinc/60/87/88/1433608788.db2.gz BBLPGCIRVBFTHA-QZTJIDSGSA-N 0 1 376.497 3.434 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1csc(-c2ccoc2)n1 ZINC000246420949 1433609986 /nfs/dbraw/zinc/60/99/86/1433609986.db2.gz AMONSHWURQXZSE-WMZOPIPTSA-N 0 1 397.500 3.016 20 0 GGADMN CC(C)CCO[C@@H]1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000246422243 1433610431 /nfs/dbraw/zinc/61/04/31/1433610431.db2.gz KSIVOMRTWFIHQS-YQVWRLOYSA-N 0 1 390.524 3.161 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246446200 1433614031 /nfs/dbraw/zinc/61/40/31/1433614031.db2.gz XCFVLYNKNPGDSM-CEXWTWQISA-N 0 1 398.551 3.432 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246446200 1433614032 /nfs/dbraw/zinc/61/40/32/1433614032.db2.gz XCFVLYNKNPGDSM-CEXWTWQISA-N 0 1 398.551 3.432 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000246445510 1433614171 /nfs/dbraw/zinc/61/41/71/1433614171.db2.gz BOUYNFRKSAGHKG-RDJZCZTQSA-N 0 1 389.565 3.339 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000246445510 1433614174 /nfs/dbraw/zinc/61/41/74/1433614174.db2.gz BOUYNFRKSAGHKG-RDJZCZTQSA-N 0 1 389.565 3.339 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccco1 ZINC000246447836 1433614468 /nfs/dbraw/zinc/61/44/68/1433614468.db2.gz IVUNZZBKWRFBGN-QFHJOOASSA-N 0 1 375.513 3.309 20 0 GGADMN COc1cccc(CNC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000246453173 1433614857 /nfs/dbraw/zinc/61/48/57/1433614857.db2.gz FADZZGXACXBIPR-TZIWHRDSSA-N 0 1 386.467 3.039 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccccc1 ZINC000246455707 1433615169 /nfs/dbraw/zinc/61/51/69/1433615169.db2.gz FCVPFZDMLQXZGI-RTBURBONSA-N 0 1 385.439 3.062 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@H]2C1)NCc1ccc(COc2ccccc2)cc1 ZINC000246461017 1433616031 /nfs/dbraw/zinc/61/60/31/1433616031.db2.gz CIHGKIPLWXTDKG-JTHBVZDNSA-N 0 1 394.515 3.383 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN(CCO)[C@H]1CCCc2ccccc21 ZINC000246461289 1433616117 /nfs/dbraw/zinc/61/61/17/1433616117.db2.gz YVSXFFGCIMQLBZ-UWJYYQICSA-N 0 1 382.504 3.244 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000246461943 1433616170 /nfs/dbraw/zinc/61/61/70/1433616170.db2.gz VAWHNIRFOZDLMI-NXHRZFHOSA-N 0 1 375.513 3.281 20 0 GGADMN COc1ccc([C@H](NC(=O)CN(CCO)[C@H]2CCc3ccccc32)C2CC2)cc1 ZINC000246464590 1433616720 /nfs/dbraw/zinc/61/67/20/1433616720.db2.gz ZALAMZAHUSWMKY-LADGPHEKSA-N 0 1 394.515 3.244 20 0 GGADMN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000246472821 1433618102 /nfs/dbraw/zinc/61/81/02/1433618102.db2.gz CUKKYVWPZJQXKJ-UONOGXRCSA-N 0 1 397.445 3.183 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)[C@H](CO)C(C)(C)C)cc1 ZINC000246475460 1433618420 /nfs/dbraw/zinc/61/84/20/1433618420.db2.gz GHAGPUMUUMOZRA-VQTJNVASSA-N 0 1 376.541 3.478 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000246480155 1433619243 /nfs/dbraw/zinc/61/92/43/1433619243.db2.gz FWSLVYZSGHXGDI-KFKAGJAMSA-N 0 1 379.932 3.422 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccccc3)C2)cc(OC)c1 ZINC000246491890 1433620449 /nfs/dbraw/zinc/62/04/49/1433620449.db2.gz DTGPJBYGRMMXLK-IEBWSBKVSA-N 0 1 397.519 3.285 20 0 GGADMN COc1cc(N[C@@H]2CCCN([C@H](C)C(=O)NCc3ccccc3)C2)cc(OC)c1 ZINC000246491890 1433620450 /nfs/dbraw/zinc/62/04/50/1433620450.db2.gz DTGPJBYGRMMXLK-IEBWSBKVSA-N 0 1 397.519 3.285 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246493004 1433620464 /nfs/dbraw/zinc/62/04/64/1433620464.db2.gz YOIGPZKUKLRGTM-WMZOPIPTSA-N 0 1 385.512 3.393 20 0 GGADMN C[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246493004 1433620465 /nfs/dbraw/zinc/62/04/65/1433620465.db2.gz YOIGPZKUKLRGTM-WMZOPIPTSA-N 0 1 385.512 3.393 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246492991 1433620499 /nfs/dbraw/zinc/62/04/99/1433620499.db2.gz YOIGPZKUKLRGTM-AEFFLSMTSA-N 0 1 385.512 3.393 20 0 GGADMN C[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000246492991 1433620501 /nfs/dbraw/zinc/62/05/01/1433620501.db2.gz YOIGPZKUKLRGTM-AEFFLSMTSA-N 0 1 385.512 3.393 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H]2OCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246494695 1433621133 /nfs/dbraw/zinc/62/11/33/1433621133.db2.gz DTQJOXMHGUJXSN-JLJPHGGASA-N 0 1 381.314 3.127 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000246506009 1433622654 /nfs/dbraw/zinc/62/26/54/1433622654.db2.gz HRZKSFYOXZXJRV-QXAKKESOSA-N 0 1 389.540 3.441 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246513114 1433623782 /nfs/dbraw/zinc/62/37/82/1433623782.db2.gz CCKLKINVPXZQAU-KXBFYZLASA-N 0 1 391.874 3.484 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000246513102 1433623823 /nfs/dbraw/zinc/62/38/23/1433623823.db2.gz CCKLKINVPXZQAU-BEFAXECRSA-N 0 1 391.874 3.484 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246517261 1433624074 /nfs/dbraw/zinc/62/40/74/1433624074.db2.gz BZGVTLNJEYHPCB-UONOGXRCSA-N 0 1 381.402 3.036 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000246521138 1433624516 /nfs/dbraw/zinc/62/45/16/1433624516.db2.gz FSLGZTPIAMHCOQ-YJBOKZPZSA-N 0 1 399.516 3.440 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246523600 1433625281 /nfs/dbraw/zinc/62/52/81/1433625281.db2.gz CKDMIVIJBFESFV-FPOVZHCZSA-N 0 1 397.519 3.478 20 0 GGADMN COC(=O)[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000246524819 1433625502 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Cc1cc(-c2noc([C@H](C)N3CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC3)n2)ccc1F ZINC000248719652 1433817541 /nfs/dbraw/zinc/81/75/41/1433817541.db2.gz LLPALEDGPMSDEQ-GOEBONIOSA-N 0 1 390.459 3.116 20 0 GGADMN COc1ccccc1N1CC[C@@H](N(CCCO)[C@H]2CCc3ccccc32)C1=O ZINC000248721242 1433817689 /nfs/dbraw/zinc/81/76/89/1433817689.db2.gz GSKTYYDXOFHSJW-PZJWPPBQSA-N 0 1 380.488 3.172 20 0 GGADMN CCN(C(=O)c1cccc(C[S@@](C)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000248734089 1433818544 /nfs/dbraw/zinc/81/85/44/1433818544.db2.gz ODHJLEGKPNMNIW-JIPXPUAJSA-N 0 1 384.545 3.302 20 0 GGADMN COc1ccccc1N1CC[C@H](N2CCC[C@H]2C[C@@H](O)c2cccs2)C1=O ZINC000248751430 1433819929 /nfs/dbraw/zinc/81/99/29/1433819929.db2.gz OQUJBSBQVBPEKP-RYQLBKOJSA-N 0 1 386.517 3.450 20 0 GGADMN CO[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248756834 1433820294 /nfs/dbraw/zinc/82/02/94/1433820294.db2.gz LQYGMXCIXJUTMA-BASYENTBSA-N 0 1 383.895 3.339 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccc2c(c1)NC(=O)CO2 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/nfs/dbraw/zinc/82/21/57/1433822157.db2.gz WFBUSHRQBAXJBP-KZNAEPCWSA-N 0 1 382.508 3.251 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000248786095 1433822427 /nfs/dbraw/zinc/82/24/27/1433822427.db2.gz YNLQDXODQKVJDQ-ARFHVFGLSA-N 0 1 395.503 3.496 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000248786098 1433822441 /nfs/dbraw/zinc/82/24/41/1433822441.db2.gz YNLQDXODQKVJDQ-XHSDSOJGSA-N 0 1 395.503 3.496 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000248790728 1433822555 /nfs/dbraw/zinc/82/25/55/1433822555.db2.gz SGFYVVFFUGJUIJ-LKUPVBHCSA-N 0 1 382.504 3.444 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248805144 1433823219 /nfs/dbraw/zinc/82/32/19/1433823219.db2.gz KAUCGHJJFLYXBC-BEFAXECRSA-N 0 1 385.895 3.224 20 0 GGADMN COC[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Cl)cc1 ZINC000248820976 1433823874 /nfs/dbraw/zinc/82/38/74/1433823874.db2.gz XBFKQYQTTSHOJO-DNVCBOLYSA-N 0 1 375.900 3.437 20 0 GGADMN CS(=O)(=O)N(CCN1CCC[C@@H](Nc2ccccc2)C1)Cc1ccccc1 ZINC000248830844 1433824555 /nfs/dbraw/zinc/82/45/55/1433824555.db2.gz IGTDHKBPRCGEJF-OAQYLSRUSA-N 0 1 387.549 3.025 20 0 GGADMN CCOC(=O)[C@H](c1cccc(Cl)c1)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248834100 1433824751 /nfs/dbraw/zinc/82/47/51/1433824751.db2.gz JDAXYZWSHHGGQX-KXBFYZLASA-N 0 1 380.916 3.129 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCO[C@H](C4CC4)C3)c2C1 ZINC000248833746 1433824871 /nfs/dbraw/zinc/82/48/71/1433824871.db2.gz MVIBFZSSHYAVDY-XERREHJYSA-N 0 1 399.535 3.059 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000248866028 1433826582 /nfs/dbraw/zinc/82/65/82/1433826582.db2.gz QCFSYOBIFZJWGO-DYESRHJHSA-N 0 1 395.503 3.049 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248866035 1433826588 /nfs/dbraw/zinc/82/65/88/1433826588.db2.gz QCFSYOBIFZJWGO-LAUBAEHRSA-N 0 1 395.503 3.049 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCCc4cccnc43)cc2)C[C@H](C)O1 ZINC000248882378 1433827695 /nfs/dbraw/zinc/82/76/95/1433827695.db2.gz SSRWKJVOSMCWAP-SVMVAKDDSA-N 0 1 393.531 3.427 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000248885815 1433827826 /nfs/dbraw/zinc/82/78/26/1433827826.db2.gz SCORGSQBYDHZDY-SCLBCKFNSA-N 0 1 389.858 3.054 20 0 GGADMN COCCN(C)c1ccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cn1 ZINC000248886781 1433827857 /nfs/dbraw/zinc/82/78/57/1433827857.db2.gz RCOPKRVNELQLGJ-LJQANCHMSA-N 0 1 385.483 3.398 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000248894115 1433828292 /nfs/dbraw/zinc/82/82/92/1433828292.db2.gz SXSXSEQCKGDRHM-SCLBCKFNSA-N 0 1 389.858 3.054 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248907808 1433828837 /nfs/dbraw/zinc/82/88/37/1433828837.db2.gz XCPNTZNQLVFHDU-GDBMZVCRSA-N 0 1 378.398 3.492 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000248912403 1433829257 /nfs/dbraw/zinc/82/92/57/1433829257.db2.gz CJNHJBRCAJZWNP-FUHWJXTLSA-N 0 1 387.549 3.139 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000248912409 1433829260 /nfs/dbraw/zinc/82/92/60/1433829260.db2.gz CJNHJBRCAJZWNP-WMZOPIPTSA-N 0 1 387.549 3.139 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000248912932 1433829294 /nfs/dbraw/zinc/82/92/94/1433829294.db2.gz VQEYMYDYOYYZGF-OXQOHEQNSA-N 0 1 392.528 3.384 20 0 GGADMN Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Br)n1 ZINC000248914332 1433829325 /nfs/dbraw/zinc/82/93/25/1433829325.db2.gz VVUHPCNKFPJHAE-DYVFJYSZSA-N 0 1 388.309 3.403 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000248919245 1433829387 /nfs/dbraw/zinc/82/93/87/1433829387.db2.gz WLKCHMDPLHDFJK-FZKQIMNGSA-N 0 1 389.858 3.054 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3c4ccccc4CC[C@H]3C(C)C)C2)CC1 ZINC000248927997 1433829724 /nfs/dbraw/zinc/82/97/24/1433829724.db2.gz XKYJAIDPMCZGJJ-FUPPJEDESA-N 0 1 398.595 3.368 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248929912 1433829801 /nfs/dbraw/zinc/82/98/01/1433829801.db2.gz XQFWIFKTBLBVKP-UTKZUKDTSA-N 0 1 395.503 3.051 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248937946 1433829978 /nfs/dbraw/zinc/82/99/78/1433829978.db2.gz YMFLPMRFWANJFB-OXJNMPFZSA-N 0 1 397.544 3.125 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000248949524 1433830374 /nfs/dbraw/zinc/83/03/74/1433830374.db2.gz ZQVYZPDCAMWQSE-UTKZUKDTSA-N 0 1 395.503 3.051 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248961846 1433830714 /nfs/dbraw/zinc/83/07/14/1433830714.db2.gz CBWVVTLGXYRTBQ-SOAMZJECSA-N 0 1 396.890 3.069 20 0 GGADMN C[C@H](c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000248960902 1433830774 /nfs/dbraw/zinc/83/07/74/1433830774.db2.gz RABNVVYFEUEGDN-LXTVHRRPSA-N 0 1 380.489 3.312 20 0 GGADMN C[C@@H](c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000248960901 1433830795 /nfs/dbraw/zinc/83/07/95/1433830795.db2.gz RABNVVYFEUEGDN-LJISPDSOSA-N 0 1 380.489 3.312 20 0 GGADMN C[C@H](NC(=O)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000248971762 1433831121 /nfs/dbraw/zinc/83/11/21/1433831121.db2.gz DJNLDCYEFGJJGV-HLLQZAQXSA-N 0 1 385.895 3.079 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(C(F)(F)F)c1 ZINC000248986437 1433831425 /nfs/dbraw/zinc/83/14/25/1433831425.db2.gz KCSJNIWPJHLROV-QBPKDAKJSA-N 0 1 399.457 3.421 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248982299 1433831444 /nfs/dbraw/zinc/83/14/44/1433831444.db2.gz FUNKQDBVUFROMJ-IWEFOYFVSA-N 0 1 378.423 3.189 20 0 GGADMN CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000248984209 1433831449 /nfs/dbraw/zinc/83/14/49/1433831449.db2.gz JNLVIDXWKZHHJZ-APHBMKBZSA-N 0 1 375.435 3.014 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000248984714 1433831477 /nfs/dbraw/zinc/83/14/77/1433831477.db2.gz DVWBQXKBADXDHU-QXAKKESOSA-N 0 1 384.476 3.354 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSC[C@H](C)C3)c2C1 ZINC000249003497 1433832060 /nfs/dbraw/zinc/83/20/60/1433832060.db2.gz ISJSKCHDIDOXBP-HZPDHXFCSA-N 0 1 389.565 3.197 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000249011041 1433832192 /nfs/dbraw/zinc/83/21/92/1433832192.db2.gz IPVURSZIHAGBSX-IHPCNDPISA-N 0 1 386.467 3.366 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000249031216 1433832582 /nfs/dbraw/zinc/83/25/82/1433832582.db2.gz SOQJGDSVIXMZNN-NVXWUHKLSA-N 0 1 390.430 3.152 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000249031220 1433832597 /nfs/dbraw/zinc/83/25/97/1433832597.db2.gz SOQJGDSVIXMZNN-WBVHZDCISA-N 0 1 390.430 3.152 20 0 GGADMN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000249036736 1433832683 /nfs/dbraw/zinc/83/26/83/1433832683.db2.gz UFTXFGHPOVDIMC-JIPXPUAJSA-N 0 1 386.561 3.452 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000249058490 1433833421 /nfs/dbraw/zinc/83/34/21/1433833421.db2.gz YACDBKXBTZCXNY-USXIJHARSA-N 0 1 387.446 3.111 20 0 GGADMN C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000249057913 1433833460 /nfs/dbraw/zinc/83/34/60/1433833460.db2.gz OVMURAPAHMEEJR-IXDOHACOSA-N 0 1 393.528 3.472 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000249059568 1433833595 /nfs/dbraw/zinc/83/35/95/1433833595.db2.gz YFESOOYSZZPINL-RRQGHBQHSA-N 0 1 387.446 3.253 20 0 GGADMN CC[C@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CCN1C[C@H](C)O ZINC000249065776 1433833684 /nfs/dbraw/zinc/83/36/84/1433833684.db2.gz IMZNRZIMQGTYRS-YOEHRIQHSA-N 0 1 384.442 3.041 20 0 GGADMN CCSc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000249073636 1433834099 /nfs/dbraw/zinc/83/40/99/1433834099.db2.gz AMCLMDHDOWHBSQ-JKSUJKDBSA-N 0 1 379.570 3.346 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000249077571 1433834220 /nfs/dbraw/zinc/83/42/20/1433834220.db2.gz BPGGVVFZMDGDAE-IAGOWNOFSA-N 0 1 377.529 3.021 20 0 GGADMN CC(C)[C@H](NC(=O)CN1CCS[C@H](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000249080019 1433834261 /nfs/dbraw/zinc/83/42/61/1433834261.db2.gz RMAXWIGGMNSLFS-IERDGZPVSA-N 0 1 392.565 3.489 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000249082061 1433834413 /nfs/dbraw/zinc/83/44/13/1433834413.db2.gz DEZALNWAGMKDLU-QZTJIDSGSA-N 0 1 396.535 3.296 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CCSC[C@@H](C)C2)c1 ZINC000249098104 1433835206 /nfs/dbraw/zinc/83/52/06/1433835206.db2.gz UINCNIJVFZGHHY-JKSUJKDBSA-N 0 1 377.554 3.181 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000249102956 1433835343 /nfs/dbraw/zinc/83/53/43/1433835343.db2.gz 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3.224 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000249122562 1433836272 /nfs/dbraw/zinc/83/62/72/1433836272.db2.gz YAMPKBQREWQNJS-NTODXPRQSA-N 0 1 380.554 3.070 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000249122293 1433836288 /nfs/dbraw/zinc/83/62/88/1433836288.db2.gz PYRIZFYDKVACFB-UONOGXRCSA-N 0 1 387.446 3.253 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000249122557 1433836308 /nfs/dbraw/zinc/83/63/08/1433836308.db2.gz YAMPKBQREWQNJS-IPXJXJKCSA-N 0 1 380.554 3.070 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000249122512 1433836320 /nfs/dbraw/zinc/83/63/20/1433836320.db2.gz QDYGINSRQPLXNI-ZWKOTPCHSA-N 0 1 396.535 3.296 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccc(F)cc1F ZINC000249128424 1433836587 /nfs/dbraw/zinc/83/65/87/1433836587.db2.gz RTJKRYZTUPSUDU-KSSFIOAISA-N 0 1 383.483 3.149 20 0 GGADMN 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HGZICHURKMOHST-HQAQVQPGSA-N 0 1 396.531 3.048 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN2CC[C@@H](C)C[C@@H]2C(N)=O)c2ccccc2)cc1 ZINC000249593089 1433847586 /nfs/dbraw/zinc/84/75/86/1433847586.db2.gz VYVFMSKGYXIOMB-RLLPEYFOSA-N 0 1 396.531 3.048 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN2CC[C@H](C)C[C@H]2C(N)=O)c2ccccc2)cc1 ZINC000249593087 1433847609 /nfs/dbraw/zinc/84/76/09/1433847609.db2.gz VYVFMSKGYXIOMB-OUFMZXHOSA-N 0 1 396.531 3.048 20 0 GGADMN CC[C@@]1(CO)CCCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000249601815 1433847820 /nfs/dbraw/zinc/84/78/20/1433847820.db2.gz YOTWGNAJVYNEGL-FXAWDEMLSA-N 0 1 382.451 3.268 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000249604583 1433847916 /nfs/dbraw/zinc/84/79/16/1433847916.db2.gz ZHOZHKXRQHYTCV-WMZHIEFXSA-N 0 1 396.531 3.317 20 0 GGADMN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000249712779 1433849492 /nfs/dbraw/zinc/84/94/92/1433849492.db2.gz FZLLJYQQPAVFMU-APWZRJJASA-N 0 1 384.863 3.134 20 0 GGADMN 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/nfs/dbraw/zinc/89/60/39/1433896039.db2.gz VVMHHEZURPWWBN-VQIMIIECSA-N 0 1 399.878 3.355 20 0 GGADMN O=c1onc(-c2ccccc2)n1C[C@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000261413800 1433896102 /nfs/dbraw/zinc/89/61/02/1433896102.db2.gz VVMHHEZURPWWBN-APWZRJJASA-N 0 1 399.878 3.355 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)Cc2cc(C(C)=O)ccc2OC)cc1 ZINC000261603777 1433896997 /nfs/dbraw/zinc/89/69/97/1433896997.db2.gz AWLGPNQPCGNWTL-NRFANRHFSA-N 0 1 380.488 3.176 20 0 GGADMN NC1(c2noc([C@@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)CCCC1 ZINC000261616096 1433897421 /nfs/dbraw/zinc/89/74/21/1433897421.db2.gz BIGSTDSKAZCRTA-CYBMUJFWSA-N 0 1 394.397 3.333 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1)c1ccccc1 ZINC000261619050 1433897437 /nfs/dbraw/zinc/89/74/37/1433897437.db2.gz BQXUPCQNTJVNDV-CQSZACIVSA-N 0 1 398.488 3.114 20 0 GGADMN O=C(c1cccc(N2CCCC2=O)c1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261632443 1433897778 /nfs/dbraw/zinc/89/77/78/1433897778.db2.gz CYELIPBUELSGBJ-IBGZPJMESA-N 0 1 383.879 3.254 20 0 GGADMN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261632448 1433897857 /nfs/dbraw/zinc/89/78/57/1433897857.db2.gz CYFRAIDSWYABCT-RDTXWAMCSA-N 0 1 386.883 3.023 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cccc(NC(=O)NC3CC3)c2)cc1 ZINC000261633986 1433897898 /nfs/dbraw/zinc/89/78/98/1433897898.db2.gz FBZWLNHDCVCJGN-OAQYLSRUSA-N 0 1 392.503 3.320 20 0 GGADMN COc1cccc(NC(=O)COc2ccc(-c3nc(C4(N)CCC4)no3)cc2)c1 ZINC000261644559 1433898232 /nfs/dbraw/zinc/89/82/32/1433898232.db2.gz DNIRBYBHPHGLST-UHFFFAOYSA-N 0 1 394.431 3.101 20 0 GGADMN CC(=O)Nc1cc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)ccc1F ZINC000261660647 1433898564 /nfs/dbraw/zinc/89/85/64/1433898564.db2.gz FRPOQGBTVYSQET-SFHVURJKSA-N 0 1 375.831 3.224 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000261665013 1433898571 /nfs/dbraw/zinc/89/85/71/1433898571.db2.gz FWFBPYTWRATPPB-FUHWJXTLSA-N 0 1 391.943 3.098 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@H]2CCCN(C(=O)[C@H](C)CC)C2)cc1 ZINC000261678414 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IQRFGZMGIAPGHC-QGZVFWFLSA-N 0 1 376.416 3.017 20 0 GGADMN Cc1ccc(-n2cc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)nn2)cc1 ZINC000261709731 1433899728 /nfs/dbraw/zinc/89/97/28/1433899728.db2.gz IPMQMOXZNUGKSD-IBGZPJMESA-N 0 1 381.867 3.016 20 0 GGADMN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000261710182 1433899824 /nfs/dbraw/zinc/89/98/24/1433899824.db2.gz ISYKJWLHOLMOIK-CYBMUJFWSA-N 0 1 376.844 3.047 20 0 GGADMN CN(c1ccccc1)S(=O)(=O)c1ccccc1-c1nc(C2(N)CCCC2)no1 ZINC000261724804 1433900145 /nfs/dbraw/zinc/90/01/45/1433900145.db2.gz JTHISSYOYNXWKI-UHFFFAOYSA-N 0 1 398.488 3.290 20 0 GGADMN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261729093 1433900321 /nfs/dbraw/zinc/90/03/21/1433900321.db2.gz JVEIQIMGGQANII-FOIQADDNSA-N 0 1 386.879 3.483 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000261755072 1433901503 /nfs/dbraw/zinc/90/15/03/1433901503.db2.gz NRYVRURHGXZJEK-GOTSBHOMSA-N 0 1 393.531 3.298 20 0 GGADMN Cc1ccc(S(=O)(=O)C2(c3nc(C4(N)CCCC4)no3)CCCC2)cc1 ZINC000261765348 1433902432 /nfs/dbraw/zinc/90/24/32/1433902432.db2.gz MTJUCBJBUJNVTE-UHFFFAOYSA-N 0 1 375.494 3.349 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1C ZINC000261763270 1433902526 /nfs/dbraw/zinc/90/25/26/1433902526.db2.gz MOFAHBWAUPSBRO-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN COc1ccc2c(c1)C[C@H](C(=O)N1CCNC[C@H]1c1cccc(Cl)c1)CO2 ZINC000261779891 1433903359 /nfs/dbraw/zinc/90/33/59/1433903359.db2.gz GBLNFOORVWXFDE-LPHOPBHVSA-N 0 1 386.879 3.073 20 0 GGADMN [NH3+]C1(c2noc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)n2)CCCC1 ZINC000261814034 1433905080 /nfs/dbraw/zinc/90/50/80/1433905080.db2.gz PZWCUQPWEDHRGC-UHFFFAOYSA-N 0 1 384.461 3.265 20 0 GGADMN Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000261840442 1433906152 /nfs/dbraw/zinc/90/61/52/1433906152.db2.gz KYJDJTXIZJAILU-INIZCTEOSA-N 0 1 387.505 3.124 20 0 GGADMN COCc1cc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)ccc1F ZINC000261843538 1433906697 /nfs/dbraw/zinc/90/66/97/1433906697.db2.gz VEYGQXDCQSMRFC-GOSISDBHSA-N 0 1 395.272 3.225 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)C[C@H](C)NC(=O)C2CCCCC2)cc1 ZINC000261858683 1433907891 /nfs/dbraw/zinc/90/78/91/1433907891.db2.gz WFCZRWKPHUOKDL-LAUBAEHRSA-N 0 1 385.552 3.197 20 0 GGADMN Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000261865419 1433907950 /nfs/dbraw/zinc/90/79/50/1433907950.db2.gz PMUCDTWSWOYIIO-MRXNPFEDSA-N 0 1 387.505 3.124 20 0 GGADMN CCOc1ccccc1CCNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261871666 1433908180 /nfs/dbraw/zinc/90/81/80/1433908180.db2.gz XXJGMNPUXVHTCW-LJQANCHMSA-N 0 1 391.309 3.381 20 0 GGADMN C[C@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000261881002 1433909653 /nfs/dbraw/zinc/90/96/53/1433909653.db2.gz YZYDJRSHKAJTIH-DYZYQPBXSA-N 0 1 395.301 3.181 20 0 GGADMN CCN(CC)S(=O)(=O)c1cc(-c2nc(C3(N)CCCC3)no2)ccc1Cl ZINC000261890693 1433909885 /nfs/dbraw/zinc/90/98/85/1433909885.db2.gz XKMHEGPKXJVDKO-UHFFFAOYSA-N 0 1 398.916 3.149 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000261924539 1433913586 /nfs/dbraw/zinc/91/35/86/1433913586.db2.gz IYERPRJXFYPAMJ-AUUYWEPGSA-N 0 1 395.528 3.468 20 0 GGADMN CCc1nc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000261955968 1433915807 /nfs/dbraw/zinc/91/58/07/1433915807.db2.gz KNHSCRFVLJUNHO-SFHVURJKSA-N 0 1 395.894 3.270 20 0 GGADMN CCc1nc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000261955967 1433915977 /nfs/dbraw/zinc/91/59/77/1433915977.db2.gz KNHSCRFVLJUNHO-GOSISDBHSA-N 0 1 395.894 3.270 20 0 GGADMN Cc1c(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)nnn1-c1ccccc1 ZINC000261969555 1433917995 /nfs/dbraw/zinc/91/79/95/1433917995.db2.gz LLSCIOARZQEVDQ-SFHVURJKSA-N 0 1 381.867 3.016 20 0 GGADMN COc1cccc(CO[C@H](C)C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000261987820 1433919467 /nfs/dbraw/zinc/91/94/67/1433919467.db2.gz MOQGDJGZDUKICU-QRWLVFNGSA-N 0 1 388.895 3.427 20 0 GGADMN CN(C)C(=O)Nc1cccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000262010124 1433921508 /nfs/dbraw/zinc/92/15/08/1433921508.db2.gz NZSSHTSUEXJREA-SFHVURJKSA-N 0 1 386.883 3.220 20 0 GGADMN NC1(c2noc(-c3cnn(-c4ncccc4Cl)c3C(F)(F)F)n2)CCC1 ZINC000262013712 1433922444 /nfs/dbraw/zinc/92/24/44/1433922444.db2.gz VIMRRGOHWBAINN-UHFFFAOYSA-N 0 1 384.749 3.327 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)Cc2c(C)nn(C(F)F)c2C)cc1 ZINC000262018753 1433922686 /nfs/dbraw/zinc/92/26/86/1433922686.db2.gz RKGMSMPQRPCCBL-SFHVURJKSA-N 0 1 376.451 3.173 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)Cc2c(C)nn(C(F)F)c2C)cc1 ZINC000262018751 1433922986 /nfs/dbraw/zinc/92/29/86/1433922986.db2.gz RKGMSMPQRPCCBL-GOSISDBHSA-N 0 1 376.451 3.173 20 0 GGADMN COc1ccc([C@H](NC(=O)C[C@H]2COCCN2)c2ccccc2Cl)c(C)c1 ZINC000262028943 1433923375 /nfs/dbraw/zinc/92/33/75/1433923375.db2.gz AGMJPGHZGIXLLB-BTYIYWSLSA-N 0 1 388.895 3.241 20 0 GGADMN O=C(C[C@@H]1COCCN1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000262050051 1433924781 /nfs/dbraw/zinc/92/47/81/1433924781.db2.gz HIBAIEMKNFQLTC-QAPCUYQASA-N 0 1 397.906 3.448 20 0 GGADMN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000262057266 1433924829 /nfs/dbraw/zinc/92/48/29/1433924829.db2.gz ICVQEILVYRBZDI-FQEVSTJZSA-N 0 1 379.504 3.376 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 ZINC000262055440 1433925030 /nfs/dbraw/zinc/92/50/30/1433925030.db2.gz VJHCEKNAFDZWBP-MOPGFXCFSA-N 0 1 385.533 3.051 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000262058473 1433925036 /nfs/dbraw/zinc/92/50/36/1433925036.db2.gz VPHCVAFXAFTEPQ-GOSISDBHSA-N 0 1 396.516 3.466 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000262071721 1433925744 /nfs/dbraw/zinc/92/57/44/1433925744.db2.gz WVYLEIHMZCWXPO-NRFANRHFSA-N 0 1 377.488 3.384 20 0 GGADMN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262125131 1433928010 /nfs/dbraw/zinc/92/80/10/1433928010.db2.gz WLRCXASTISSYLW-HXUWFJFHSA-N 0 1 397.906 3.249 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000262131554 1433928290 /nfs/dbraw/zinc/92/82/90/1433928290.db2.gz KWCJDHXOMHVDKX-MGPLVRAMSA-N 0 1 390.789 3.484 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262167787 1433929462 /nfs/dbraw/zinc/92/94/62/1433929462.db2.gz OUVPISBBEOVYRM-HTAPYJJXSA-N 0 1 396.491 3.004 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C2 ZINC000262189034 1433930066 /nfs/dbraw/zinc/93/00/66/1433930066.db2.gz QWDZGNXOOXDAFT-RBDMOPTHSA-N 0 1 388.483 3.360 20 0 GGADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262190656 1433930358 /nfs/dbraw/zinc/93/03/58/1433930358.db2.gz RBIGZMPUPGBSPP-QHRIQVFBSA-N 0 1 382.863 3.013 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCN2c3ccccc3CCC2=O)cc1 ZINC000262194012 1433930381 /nfs/dbraw/zinc/93/03/81/1433930381.db2.gz JVGWCXLUSYTGDK-QFIPXVFZSA-N 0 1 391.515 3.091 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262205021 1433930630 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COC(=O)C1CCN(C(=O)CN(C)Cc2ccccc2-c2ccccc2)CC1 ZINC000263685721 1434020616 /nfs/dbraw/zinc/02/06/16/1434020616.db2.gz JAKSUEFBPWWTFB-UHFFFAOYSA-N 0 1 380.488 3.197 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1cccnc1-n1ccnc1C)c1ccco1 ZINC000263685255 1434020717 /nfs/dbraw/zinc/02/07/17/1434020717.db2.gz FMUFRVPRIZEFGB-SFHVURJKSA-N 0 1 396.495 3.051 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(Cl)c(C(N)=O)c2)N2CCCC2)o1 ZINC000263688377 1434021144 /nfs/dbraw/zinc/02/11/44/1434021144.db2.gz MAENHDXIYWPWGM-INIZCTEOSA-N 0 1 390.871 3.299 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)N2CCCC2)o1 ZINC000263690893 1434021429 /nfs/dbraw/zinc/02/14/29/1434021429.db2.gz IMVWABALXSPMQG-ROUUACIJSA-N 0 1 399.491 3.129 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)C1 ZINC000263702118 1434022981 /nfs/dbraw/zinc/02/29/81/1434022981.db2.gz IRHHFLFTHQIGMY-RXVVDRJESA-N 0 1 385.552 3.007 20 0 GGADMN Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)sc1-c1ccc(F)cc1 ZINC000263702709 1434023055 /nfs/dbraw/zinc/02/30/55/1434023055.db2.gz BZRYVODQNQRTSJ-HNNXBMFYSA-N 0 1 375.513 3.228 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)NCc2cc3ccccc3s2)CC1 ZINC000263704704 1434023317 /nfs/dbraw/zinc/02/33/17/1434023317.db2.gz PJGQTZMWPVNMNM-UHFFFAOYSA-N 0 1 395.532 3.048 20 0 GGADMN CCN1CCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000263703922 1434023403 /nfs/dbraw/zinc/02/34/03/1434023403.db2.gz LXJUURKIIZELSJ-KRWDZBQOSA-N 0 1 384.549 3.338 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(SCc2ccccc2)cc1)N1CCN(C)CC1 ZINC000263712379 1434024103 /nfs/dbraw/zinc/02/41/03/1434024103.db2.gz DKEWWPCVIQRJAO-SFHVURJKSA-N 0 1 383.561 3.345 20 0 GGADMN O=C(Nc1cccc(F)c1)C1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000263713027 1434024343 /nfs/dbraw/zinc/02/43/43/1434024343.db2.gz NLAUYCXZBHAZMH-LJQANCHMSA-N 0 1 378.394 3.488 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)Cc2ccccn2)CC1 ZINC000263727368 1434025798 /nfs/dbraw/zinc/02/57/98/1434025798.db2.gz UHCMZXONCLVPDQ-QGZVFWFLSA-N 0 1 399.514 3.265 20 0 GGADMN COc1ccc(O)c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000263725749 1434025833 /nfs/dbraw/zinc/02/58/33/1434025833.db2.gz GFMVDGPEKGKISU-UHFFFAOYSA-N 0 1 378.432 3.206 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000263735759 1434027023 /nfs/dbraw/zinc/02/70/23/1434027023.db2.gz NRELASJAWYIHER-SJORKVTESA-N 0 1 382.508 3.046 20 0 GGADMN CN(C[C@H]1OCCc2ccccc21)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000263738397 1434027360 /nfs/dbraw/zinc/02/73/60/1434027360.db2.gz VIOWDRIXXSFQOD-JOCHJYFZSA-N 0 1 394.519 3.001 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)N2CCCC2)o1 ZINC000263744242 1434028141 /nfs/dbraw/zinc/02/81/41/1434028141.db2.gz WBYCTCFZBVBVCN-GOSISDBHSA-N 0 1 397.479 3.076 20 0 GGADMN CC(C)COC[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccco1 ZINC000263745208 1434028419 /nfs/dbraw/zinc/02/84/19/1434028419.db2.gz WHPCXAJIFWVCGY-OAHLLOKOSA-N 0 1 387.461 3.361 20 0 GGADMN Cn1ncc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1C1CC1 ZINC000263748519 1434028858 /nfs/dbraw/zinc/02/88/58/1434028858.db2.gz JSJJNCNZVDLMOT-UHFFFAOYSA-N 0 1 376.464 3.102 20 0 GGADMN Cc1n[nH]cc1CCCNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263765700 1434030856 /nfs/dbraw/zinc/03/08/56/1434030856.db2.gz MBDIGJALDDATPW-UHFFFAOYSA-N 0 1 393.495 3.025 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1 ZINC000263769507 1434031510 /nfs/dbraw/zinc/03/15/10/1434031510.db2.gz FDDJWZYHMVGKLR-STQMWFEESA-N 0 1 385.493 3.189 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000263771749 1434031820 /nfs/dbraw/zinc/03/18/20/1434031820.db2.gz NDVUYPJTNYXHJW-RTBURBONSA-N 0 1 382.552 3.080 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000263771732 1434031893 /nfs/dbraw/zinc/03/18/93/1434031893.db2.gz NDVUYPJTNYXHJW-MOPGFXCFSA-N 0 1 382.552 3.080 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000263789137 1434034340 /nfs/dbraw/zinc/03/43/40/1434034340.db2.gz PSFAHCHZQNJSIP-KDURUIRLSA-N 0 1 386.536 3.306 20 0 GGADMN C[S@@](=O)Cc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000263794481 1434034873 /nfs/dbraw/zinc/03/48/73/1434034873.db2.gz KPSPORKAVPABPH-MUUNZHRXSA-N 0 1 398.572 3.346 20 0 GGADMN CCc1nc(CC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cs1 ZINC000263794611 1434034912 /nfs/dbraw/zinc/03/49/12/1434034912.db2.gz RKBVYUYKCZKFBP-UHFFFAOYSA-N 0 1 381.505 3.439 20 0 GGADMN Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000263804749 1434036070 /nfs/dbraw/zinc/03/60/70/1434036070.db2.gz STMGRXIIMJGWGU-AWEZNQCLSA-N 0 1 388.487 3.488 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263816247 1434037240 /nfs/dbraw/zinc/03/72/40/1434037240.db2.gz YLGNBUYUENQGKH-UHFFFAOYSA-N 0 1 378.480 3.150 20 0 GGADMN CCCN(C(=O)CSc1cccc[n+]1[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000263818177 1434037377 /nfs/dbraw/zinc/03/73/77/1434037377.db2.gz PXRYNADNNCMCPC-HXUWFJFHSA-N 0 1 399.560 3.315 20 0 GGADMN O=C(c1noc2c1CCCC2)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263820563 1434037736 /nfs/dbraw/zinc/03/77/36/1434037736.db2.gz ZQZLXIDDQOPAMU-UHFFFAOYSA-N 0 1 377.448 3.358 20 0 GGADMN C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000263821523 1434037932 /nfs/dbraw/zinc/03/79/32/1434037932.db2.gz QUNPDYNKFWJHFA-CABCVRRESA-N 0 1 386.496 3.257 20 0 GGADMN COc1cc([C@H](C)NCc2cnc(N(C)C)nc2)ccc1OCc1ccncc1 ZINC000263836599 1434039700 /nfs/dbraw/zinc/03/97/00/1434039700.db2.gz CSLGPZIYAGSQLN-INIZCTEOSA-N 0 1 393.491 3.376 20 0 GGADMN CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000263836898 1434040100 /nfs/dbraw/zinc/04/01/00/1434040100.db2.gz UQHNILFWDNTFTP-MRXNPFEDSA-N 0 1 399.539 3.112 20 0 GGADMN CC(=O)N/C(=C/c1ccccc1)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000263852210 1434041652 /nfs/dbraw/zinc/04/16/52/1434041652.db2.gz YZWWJMYKEUZIIV-IAERKFLBSA-N 0 1 381.476 3.018 20 0 GGADMN CC(C)c1nn(C)cc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263871572 1434043911 /nfs/dbraw/zinc/04/39/11/1434043911.db2.gz INNOOTHKJFYMNZ-UHFFFAOYSA-N 0 1 378.480 3.348 20 0 GGADMN C[C@H](CN(C)CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000263876419 1434044577 /nfs/dbraw/zinc/04/45/77/1434044577.db2.gz IZXLKVFNBFQLPL-WOJBJXKFSA-N 0 1 399.579 3.219 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)COc1ccc(C=O)cc1 ZINC000263894291 1434046598 /nfs/dbraw/zinc/04/65/98/1434046598.db2.gz MRCRZDJDWUHDJF-UHFFFAOYSA-N 0 1 384.501 3.374 20 0 GGADMN O=C(Cn1cnc2ccccc21)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263895267 1434046766 /nfs/dbraw/zinc/04/67/66/1434046766.db2.gz NEWVBWXMANEBST-UHFFFAOYSA-N 0 1 386.459 3.228 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000263904267 1434047444 /nfs/dbraw/zinc/04/74/44/1434047444.db2.gz FOUJUSSURXUSDX-NRFANRHFSA-N 0 1 379.504 3.100 20 0 GGADMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000263929707 1434049870 /nfs/dbraw/zinc/04/98/70/1434049870.db2.gz XWWNQAPYZFMKNS-UHFFFAOYSA-N 0 1 387.461 3.029 20 0 GGADMN COCCCN1Cc2cccc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2C1 ZINC000263935446 1434050667 /nfs/dbraw/zinc/05/06/67/1434050667.db2.gz BUWLBQUTLQKOJG-OAHLLOKOSA-N 0 1 397.475 3.207 20 0 GGADMN COCCC[N@@H+]1Cc2cccc(NC(=O)C[C@](C)(C(=O)[O-])c3ccccc3)c2C1 ZINC000263960150 1434053662 /nfs/dbraw/zinc/05/36/62/1434053662.db2.gz OHASDCZDEILKJH-QHCPKHFHSA-N 0 1 396.487 3.410 20 0 GGADMN COCCC[N@H+]1Cc2cccc(NC(=O)C[C@](C)(C(=O)[O-])c3ccccc3)c2C1 ZINC000263960150 1434053665 /nfs/dbraw/zinc/05/36/65/1434053665.db2.gz OHASDCZDEILKJH-QHCPKHFHSA-N 0 1 396.487 3.410 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1F)N1CCN(C)CC1 ZINC000263959221 1434053839 /nfs/dbraw/zinc/05/38/39/1434053839.db2.gz OUJBOFAEFVGONT-MRXNPFEDSA-N 0 1 390.425 3.238 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1csc(-c2cnccn2)n1 ZINC000263973549 1434055765 /nfs/dbraw/zinc/05/57/65/1434055765.db2.gz BMLJFNPBNNJUCM-UHFFFAOYSA-N 0 1 397.529 3.401 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000263979773 1434057075 /nfs/dbraw/zinc/05/70/75/1434057075.db2.gz ZBBQXHCWELCLKX-SFHVURJKSA-N 0 1 392.500 3.148 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000263982877 1434057596 /nfs/dbraw/zinc/05/75/96/1434057596.db2.gz GVRZNRXFSNVSOR-OGMCXFKZSA-N 0 1 395.547 3.330 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)CC(=O)N2C ZINC000263982880 1434057613 /nfs/dbraw/zinc/05/76/13/1434057613.db2.gz GVRZNRXFSNVSOR-YOYISHSYSA-N 0 1 395.547 3.330 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1 ZINC000263984910 1434057802 /nfs/dbraw/zinc/05/78/02/1434057802.db2.gz LUINLVGAZJCYEO-UHFFFAOYSA-N 0 1 377.448 3.213 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1Cl)c1ccc2c(c1)CC(=O)N2C ZINC000263992480 1434058641 /nfs/dbraw/zinc/05/86/41/1434058641.db2.gz KRVDYXSESSEDDR-KGLIPLIRSA-N 0 1 385.895 3.214 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc2c(c1)CC(=O)N2C ZINC000263999841 1434059820 /nfs/dbraw/zinc/05/98/20/1434059820.db2.gz FCOUCQMXZZARFT-VBKZILBWSA-N 0 1 398.482 3.008 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCOC3)N2CCCC2)cc1 ZINC000264000745 1434060054 /nfs/dbraw/zinc/06/00/54/1434060054.db2.gz KTSPKHVQTHFTGM-SFHVURJKSA-N 0 1 386.517 3.396 20 0 GGADMN CS[C@@H](C)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000264003489 1434060536 /nfs/dbraw/zinc/06/05/36/1434060536.db2.gz RVEHCROKIXEDJW-KRWDZBQOSA-N 0 1 384.549 3.136 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 ZINC000264004602 1434060893 /nfs/dbraw/zinc/06/08/93/1434060893.db2.gz BWPGYFLMSQUIJW-OAQYLSRUSA-N 0 1 385.552 3.367 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H](C)c2ccccc2OC)c1 ZINC000264009595 1434061540 /nfs/dbraw/zinc/06/15/40/1434061540.db2.gz FHBXANMKJCAEQW-CYBMUJFWSA-N 0 1 377.462 3.327 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000264023367 1434063293 /nfs/dbraw/zinc/06/32/93/1434063293.db2.gz XEYNJSDFZURNPQ-HUUCEWRRSA-N 0 1 381.476 3.282 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000264023366 1434063455 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/nfs/dbraw/zinc/29/35/09/1434293509.db2.gz IWKDUQZUMGDVRZ-OXJNMPFZSA-N 0 1 387.524 3.080 20 0 GGADMN CCN(C(=O)CN1CCC(OCCCOC)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000266007353 1434295694 /nfs/dbraw/zinc/29/56/94/1434295694.db2.gz QUHMBRFVKDWWHP-KRWDZBQOSA-N 0 1 380.504 3.253 20 0 GGADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266012565 1434296302 /nfs/dbraw/zinc/29/63/02/1434296302.db2.gz JPAZYWXXUYHXMC-ZTNFWEORSA-N 0 1 389.540 3.263 20 0 GGADMN O=C(CN1CCC(C(=O)Nc2ccc(O)cc2)CC1)NC1CCCCCCC1 ZINC000266012340 1434296393 /nfs/dbraw/zinc/29/63/93/1434296393.db2.gz SJQWZPNRTOVHLU-UHFFFAOYSA-N 0 1 387.524 3.272 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCCC2(CCOCC2)C1 ZINC000266024892 1434297591 /nfs/dbraw/zinc/29/75/91/1434297591.db2.gz QBCHMRDLQBJBIF-QGZVFWFLSA-N 0 1 385.508 3.033 20 0 GGADMN C[C@@]1(C(=O)Nc2ccn(-c3ccncc3)n2)CCCN(C(=O)c2ccccc2)C1 ZINC000266045554 1434299196 /nfs/dbraw/zinc/29/91/96/1434299196.db2.gz QXPCVMQEOVSHTM-JOCHJYFZSA-N 0 1 389.459 3.148 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3ccncc3)cc2)n[nH]1 ZINC000266046138 1434299201 /nfs/dbraw/zinc/29/92/01/1434299201.db2.gz BUJVVHWZQZKQAQ-UHFFFAOYSA-N 0 1 394.435 3.144 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000266046138 1434299202 /nfs/dbraw/zinc/29/92/02/1434299202.db2.gz BUJVVHWZQZKQAQ-UHFFFAOYSA-N 0 1 394.435 3.144 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)no1 ZINC000266051649 1434299666 /nfs/dbraw/zinc/29/96/66/1434299666.db2.gz CZEGFOORHVVSHY-UHFFFAOYSA-N 0 1 398.423 3.045 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)OC(C)(C)C)n[nH]3)cc2)no1 ZINC000266051649 1434299669 /nfs/dbraw/zinc/29/96/69/1434299669.db2.gz CZEGFOORHVVSHY-UHFFFAOYSA-N 0 1 398.423 3.045 20 0 GGADMN COc1cc(CN(C)C(=O)NCCCc2cn[nH]c2C)c(SC)cc1OC ZINC000266058379 1434300275 /nfs/dbraw/zinc/30/02/75/1434300275.db2.gz ZLSWNVOUKOXCIE-UHFFFAOYSA-N 0 1 392.525 3.231 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(OC2CCOCC2)cc1)c1cccc(F)c1 ZINC000266069353 1434301115 /nfs/dbraw/zinc/30/11/15/1434301115.db2.gz XLMIRSJBYHPCTR-OAQYLSRUSA-N 0 1 386.467 3.416 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc(F)cc1F ZINC000266073260 1434301517 /nfs/dbraw/zinc/30/15/17/1434301517.db2.gz LUSYKCPMQLVWLN-ROUUACIJSA-N 0 1 395.475 3.013 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(F)cc1 ZINC000266080480 1434301914 /nfs/dbraw/zinc/30/19/14/1434301914.db2.gz NPALDLADGMPELL-OAQYLSRUSA-N 0 1 386.467 3.416 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(F)cc1 ZINC000266080473 1434301932 /nfs/dbraw/zinc/30/19/32/1434301932.db2.gz NPALDLADGMPELL-NRFANRHFSA-N 0 1 386.467 3.416 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000266107477 1434304268 /nfs/dbraw/zinc/30/42/68/1434304268.db2.gz GWCHABNXOVHILA-MRXNPFEDSA-N 0 1 395.850 3.117 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@@H]2CCN(Cc3ccccc3OC(C)C)C2)no1 ZINC000266112630 1434304511 /nfs/dbraw/zinc/30/45/11/1434304511.db2.gz AUAADPSIWRVKTL-GOSISDBHSA-N 0 1 386.496 3.042 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@H](O)c1cnn(C)c1 ZINC000266125760 1434305424 /nfs/dbraw/zinc/30/54/24/1434305424.db2.gz BHAOFKJGEYVTRH-KRWDZBQOSA-N 0 1 394.306 3.103 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1F ZINC000266129588 1434305824 /nfs/dbraw/zinc/30/58/24/1434305824.db2.gz XTSSGEYYAPTVCB-SFHVURJKSA-N 0 1 380.485 3.083 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)n[nH]1 ZINC000266131631 1434305860 /nfs/dbraw/zinc/30/58/60/1434305860.db2.gz KNSQQJQQWKBTDQ-SFHVURJKSA-N 0 1 393.491 3.106 20 0 GGADMN Cc1nnc(-c2ccc(C(=O)NC[C@H](C)N3CCc4ccccc4C3)cc2)o1 ZINC000266149586 1434306889 /nfs/dbraw/zinc/30/68/89/1434306889.db2.gz NRASQHWKXUFQFD-HNNXBMFYSA-N 0 1 376.460 3.222 20 0 GGADMN COc1ccc(OCc2nc(CNCCCOC3CCOCC3)cs2)cc1 ZINC000266178222 1434308581 /nfs/dbraw/zinc/30/85/81/1434308581.db2.gz UGPSBLSVEIDQNR-UHFFFAOYSA-N 0 1 392.521 3.406 20 0 GGADMN COc1cc(C(=O)Nc2cccc(C(C)C)c2)cc(NS(C)(=O)=O)c1OC ZINC000266211577 1434310895 /nfs/dbraw/zinc/31/08/95/1434310895.db2.gz FVRQYELUVAFLIZ-UHFFFAOYSA-N 0 1 392.477 3.451 20 0 GGADMN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCC(CN2CCOCC2)CC1 ZINC000266250119 1434313288 /nfs/dbraw/zinc/31/32/88/1434313288.db2.gz JNDISFFTZSERKR-UHFFFAOYSA-N 0 1 397.494 3.436 20 0 GGADMN COc1cc(C(=O)N(C)CCC2CCCCC2)cc(NS(C)(=O)=O)c1OC ZINC000266286921 1434316609 /nfs/dbraw/zinc/31/66/09/1434316609.db2.gz MPRBXFPBYXRJOP-UHFFFAOYSA-N 0 1 398.525 3.118 20 0 GGADMN C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000266296433 1434317331 /nfs/dbraw/zinc/31/73/31/1434317331.db2.gz RRUFRLHBYULAQY-QGZVFWFLSA-N 0 1 397.494 3.421 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cccc4cccnc43)cc2)CC1 ZINC000266319250 1434319864 /nfs/dbraw/zinc/31/98/64/1434319864.db2.gz QGYQGGYEHYSVEB-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN CCC[C@@]1(C)CCCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000266366076 1434325599 /nfs/dbraw/zinc/32/55/99/1434325599.db2.gz SUYHHAIIPCBKPQ-IBGZPJMESA-N 0 1 398.525 3.118 20 0 GGADMN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cccc4n[nH]cc43)CC2)cs1 ZINC000266381589 1434327868 /nfs/dbraw/zinc/32/78/68/1434327868.db2.gz TZJQDPJCQZXSKH-CQSZACIVSA-N 0 1 399.520 3.075 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccn(CCc2ccncc2)n1)c1ccsc1 ZINC000266393140 1434329728 /nfs/dbraw/zinc/32/97/28/1434329728.db2.gz KMNTYOSNDNVEBY-KRWDZBQOSA-N 0 1 384.509 3.007 20 0 GGADMN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)N1CCN(C2CCC2)CC1 ZINC000266392840 1434329749 /nfs/dbraw/zinc/32/97/49/1434329749.db2.gz FPWOTLYDGAGQRH-UHFFFAOYSA-N 0 1 397.479 3.228 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCC(F)(F)F ZINC000266400334 1434330991 /nfs/dbraw/zinc/33/09/91/1434330991.db2.gz DUDIBJQSRHQQGT-UHFFFAOYSA-N 0 1 388.434 3.301 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccn(Cc2ccncc2)n1)c1ccco1 ZINC000266409238 1434332259 /nfs/dbraw/zinc/33/22/59/1434332259.db2.gz NPQSPBNEXKFVNL-QGZVFWFLSA-N 0 1 382.468 3.124 20 0 GGADMN CCCOc1ccc(C(=O)CCC(=O)N(C)Cc2nnc[nH]2)cc1OCCC ZINC000266427549 1434334960 /nfs/dbraw/zinc/33/49/60/1434334960.db2.gz CDHBLUCZXMFQDL-UHFFFAOYSA-N 0 1 388.468 3.004 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000266439541 1434336915 /nfs/dbraw/zinc/33/69/15/1434336915.db2.gz ADPANBMLFWXSPI-GOSISDBHSA-N 0 1 396.535 3.327 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cc(C(C)C)on3)[nH]c2c1 ZINC000266446125 1434337872 /nfs/dbraw/zinc/33/78/72/1434337872.db2.gz NTOOFNGFTULSKW-OAHLLOKOSA-N 0 1 381.436 3.285 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCCOC(C)C ZINC000266450931 1434338493 /nfs/dbraw/zinc/33/84/93/1434338493.db2.gz OLMBRUYHUQYYRS-UHFFFAOYSA-N 0 1 392.544 3.116 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000266454234 1434338889 /nfs/dbraw/zinc/33/88/89/1434338889.db2.gz FAQXUQSJXLLFEA-UHFFFAOYSA-N 0 1 399.491 3.107 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC3(C2)CCOCC3)N2CCCC2)cc1 ZINC000266465391 1434340372 /nfs/dbraw/zinc/34/03/72/1434340372.db2.gz QPMUEPLLIFIVKG-FQEVSTJZSA-N 0 1 387.524 3.044 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C(C)(C)C)nn1C ZINC000266473223 1434341230 /nfs/dbraw/zinc/34/12/30/1434341230.db2.gz LQOWEJHNKYJRED-UHFFFAOYSA-N 0 1 399.539 3.120 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCOC1 ZINC000266479549 1434341572 /nfs/dbraw/zinc/34/15/72/1434341572.db2.gz BUSFDQSKFXIUTM-JLJPHGGASA-N 0 1 385.430 3.004 20 0 GGADMN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCOC1 ZINC000266479551 1434341878 /nfs/dbraw/zinc/34/18/78/1434341878.db2.gz BUSFDQSKFXIUTM-QRTARXTBSA-N 0 1 385.430 3.004 20 0 GGADMN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000266490059 1434342881 /nfs/dbraw/zinc/34/28/81/1434342881.db2.gz JBLXXPGYXVOTSJ-CXAGYDPISA-N 0 1 395.429 3.074 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cncnc1C(C)C ZINC000266490724 1434342995 /nfs/dbraw/zinc/34/29/95/1434342995.db2.gz SHBQMKUWLUWVJM-UHFFFAOYSA-N 0 1 383.496 3.003 20 0 GGADMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2csc(C(=O)OC)c2)c1C ZINC000266498277 1434343849 /nfs/dbraw/zinc/34/38/49/1434343849.db2.gz WPGKAJGAVSPURK-UHFFFAOYSA-N 0 1 396.490 3.383 20 0 GGADMN Cc1ccccc1O[C@H](C)CNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000266575617 1434350985 /nfs/dbraw/zinc/35/09/85/1434350985.db2.gz XROFPRQVQHBBLW-GOSISDBHSA-N 0 1 382.508 3.121 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)cn2)CC1 ZINC000266582617 1434351526 /nfs/dbraw/zinc/35/15/26/1434351526.db2.gz YTAOKSVMSRWMPP-LJQANCHMSA-N 0 1 399.926 3.143 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000266591096 1434352292 /nfs/dbraw/zinc/35/22/92/1434352292.db2.gz MMAPQBNAEVDQRG-OAQYLSRUSA-N 0 1 382.504 3.205 20 0 GGADMN CSC(C)(C)CNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000266635639 1434356950 /nfs/dbraw/zinc/35/69/50/1434356950.db2.gz LPQOBKIDSAUJCW-CQSZACIVSA-N 0 1 377.554 3.243 20 0 GGADMN CC[C@](C)(NC[C@H](O)COc1c(OC)cccc1OC)c1nc(C)cs1 ZINC000266635700 1434357085 /nfs/dbraw/zinc/35/70/85/1434357085.db2.gz RLEYPVOKSDZFPZ-LIRRHRJNSA-N 0 1 380.510 3.123 20 0 GGADMN O=C(CN1CCC2(C1)CCOCC2)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000266635761 1434357205 /nfs/dbraw/zinc/35/72/05/1434357205.db2.gz RPEKCJSCFOJCSO-UHFFFAOYSA-N 0 1 399.516 3.441 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C[C@H]1CCOC1)C1CC1 ZINC000266658866 1434360463 /nfs/dbraw/zinc/36/04/63/1434360463.db2.gz LHKLQXRNXPXRIX-GOSISDBHSA-N 0 1 382.508 3.237 20 0 GGADMN Cc1csc([C@](O)(CC(=O)NCc2nc3ccc(C)cc3[nH]2)C(F)(F)F)n1 ZINC000266675889 1434362519 /nfs/dbraw/zinc/36/25/19/1434362519.db2.gz XQSQWKSLLVPQLI-MRXNPFEDSA-N 0 1 398.410 3.093 20 0 GGADMN Cc1csc([C@@](O)(CC(=O)NCc2nc3ccc(C)cc3[nH]2)C(F)(F)F)n1 ZINC000266675885 1434362564 /nfs/dbraw/zinc/36/25/64/1434362564.db2.gz XQSQWKSLLVPQLI-INIZCTEOSA-N 0 1 398.410 3.093 20 0 GGADMN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CCCN(C)CC1 ZINC000266690727 1434364195 /nfs/dbraw/zinc/36/41/95/1434364195.db2.gz WTWJBYSCVRLEKD-UHFFFAOYSA-N 0 1 397.903 3.473 20 0 GGADMN CCN(C)[C@@H](C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1)c1ccccc1 ZINC000266702001 1434365455 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O=C(CCc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1)N1CCCC1 ZINC000266889679 1434385604 /nfs/dbraw/zinc/38/56/04/1434385604.db2.gz AJOQJANRJAZCST-UHFFFAOYSA-N 0 1 389.459 3.279 20 0 GGADMN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000266962885 1434393623 /nfs/dbraw/zinc/39/36/23/1434393623.db2.gz NIBIJERAGMGTPV-UHFFFAOYSA-N 0 1 380.488 3.202 20 0 GGADMN O=C(NCCCCOc1ccc(Cl)cc1)N1CCN(C2CCOCC2)CC1 ZINC000266972712 1434394502 /nfs/dbraw/zinc/39/45/02/1434394502.db2.gz GXZYOHMODQNBBK-UHFFFAOYSA-N 0 1 395.931 3.005 20 0 GGADMN O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000266974959 1434394721 /nfs/dbraw/zinc/39/47/21/1434394721.db2.gz VKNOIJRYYPVGLA-UHFFFAOYSA-N 0 1 393.409 3.190 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266988631 1434396390 /nfs/dbraw/zinc/39/63/90/1434396390.db2.gz WVFZTAITGVAIOX-AWEZNQCLSA-N 0 1 384.480 3.047 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1c(F)cccc1Cl ZINC000267022109 1434399594 /nfs/dbraw/zinc/39/95/94/1434399594.db2.gz CANLEPIFYSSWNV-UHFFFAOYSA-N 0 1 392.862 3.304 20 0 GGADMN Cc1ccccc1CN1CCCN(C(=O)CSc2ccc(Cl)nn2)CC1 ZINC000267042664 1434402457 /nfs/dbraw/zinc/40/24/57/1434402457.db2.gz NNFDXAIGVNRPOJ-UHFFFAOYSA-N 0 1 390.940 3.265 20 0 GGADMN O=C(Nc1cccc(Oc2ccccn2)c1)N1CCN(C2CCOCC2)CC1 ZINC000267060212 1434404377 /nfs/dbraw/zinc/40/43/77/1434404377.db2.gz GZGHXFLJDYSLEQ-UHFFFAOYSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000267067601 1434404632 /nfs/dbraw/zinc/40/46/32/1434404632.db2.gz HOYKVPSWKAMANI-WMZOPIPTSA-N 0 1 394.519 3.332 20 0 GGADMN Cc1nc(C(=O)N(CC(C)C)c2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000267065182 1434404820 /nfs/dbraw/zinc/40/48/20/1434404820.db2.gz YBPAJUUJGUEHEU-UHFFFAOYSA-N 0 1 393.373 3.015 20 0 GGADMN CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2nnc[nH]2)cc1OCCC ZINC000267075173 1434405632 /nfs/dbraw/zinc/40/56/32/1434405632.db2.gz BPJDMKRCINECKF-CQSZACIVSA-N 0 1 388.468 3.223 20 0 GGADMN CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nnc[nH]2)cc1OCCC 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ZGWWRFUEQGKLLX-CABCVRRESA-N 0 1 383.467 3.325 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2cccc(O)c2)CC2CC2)n[nH]1 ZINC000267154492 1434411187 /nfs/dbraw/zinc/41/11/87/1434411187.db2.gz JGVBOVXJEVJTJC-UHFFFAOYSA-N 0 1 379.464 3.185 20 0 GGADMN Cc1n[nH]c(CCNC(=O)CCN2c3ccccc3Sc3ccccc32)n1 ZINC000267177525 1434412460 /nfs/dbraw/zinc/41/24/60/1434412460.db2.gz NEUAPVMQHMUJPU-UHFFFAOYSA-N 0 1 379.489 3.465 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(-c4ccccc4)ns3)C2)CC1 ZINC000267208738 1434414338 /nfs/dbraw/zinc/41/43/38/1434414338.db2.gz TYDGNBKIOAJAII-QGZVFWFLSA-N 0 1 385.537 3.054 20 0 GGADMN COc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(NS(C)(=O)=O)c1OC ZINC000267214941 1434414459 /nfs/dbraw/zinc/41/44/59/1434414459.db2.gz HSWPOCSUKOVMAT-UHFFFAOYSA-N 0 1 392.477 3.253 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)n1 ZINC000267244433 1434416393 /nfs/dbraw/zinc/41/63/93/1434416393.db2.gz YHNIRXKLVRWFHL-UHFFFAOYSA-N 0 1 380.374 3.035 20 0 GGADMN COc1ccc(CNC(=O)CCSc2nnc(C)[nH]2)c(OC2CCCC2)c1 ZINC000267253199 1434416896 /nfs/dbraw/zinc/41/68/96/1434416896.db2.gz VCEUJEHCAPYJIY-UHFFFAOYSA-N 0 1 390.509 3.242 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)C1 ZINC000267270776 1434418291 /nfs/dbraw/zinc/41/82/91/1434418291.db2.gz ZPHORJKQDOPLDR-NQIIRXRSSA-N 0 1 389.540 3.290 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000267280294 1434418938 /nfs/dbraw/zinc/41/89/38/1434418938.db2.gz SBCHSAMLGWXCED-UHFFFAOYSA-N 0 1 394.516 3.069 20 0 GGADMN COc1cccc(C(NC(=O)CSc2nnc(C)[nH]2)c2cccc(OC)c2)c1 ZINC000267316942 1434422173 /nfs/dbraw/zinc/42/21/73/1434422173.db2.gz OUVBAMRYBZDXEN-UHFFFAOYSA-N 0 1 398.488 3.128 20 0 GGADMN COc1cccc(C(NC(=O)CSc2nc(C)n[nH]2)c2cccc(OC)c2)c1 ZINC000267316942 1434422175 /nfs/dbraw/zinc/42/21/75/1434422175.db2.gz OUVBAMRYBZDXEN-UHFFFAOYSA-N 0 1 398.488 3.128 20 0 GGADMN CC[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1nnc2n1CCCCC2 ZINC000267336370 1434423777 /nfs/dbraw/zinc/42/37/77/1434423777.db2.gz MULMDPDXQWKNQD-CABCVRRESA-N 0 1 390.557 3.119 20 0 GGADMN COc1cccc(OC)c1OC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000267403609 1434429536 /nfs/dbraw/zinc/42/95/36/1434429536.db2.gz PYGUXVANLHYDNF-UHFFFAOYSA-N 0 1 394.475 3.328 20 0 GGADMN O=C(Nc1cccc(N2CCCCCC2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267423691 1434431278 /nfs/dbraw/zinc/43/12/78/1434431278.db2.gz ADIFLIKHHRIGDA-IBGZPJMESA-N 0 1 386.540 3.253 20 0 GGADMN O=C(CN1CCC[C@H](c2ncc[nH]2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000267442284 1434433746 /nfs/dbraw/zinc/43/37/46/1434433746.db2.gz PHTOBGMZZVVVEE-SFHVURJKSA-N 0 1 389.503 3.386 20 0 GGADMN CCn1nc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1C1CC1 ZINC000267454309 1434435120 /nfs/dbraw/zinc/43/51/20/1434435120.db2.gz ZKFLGKXRZGHQKF-UHFFFAOYSA-N 0 1 382.512 3.485 20 0 GGADMN CSc1nc2ccc(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)cc2s1 ZINC000267479322 1434438512 /nfs/dbraw/zinc/43/85/12/1434438512.db2.gz XTZLCMNBRQBWQQ-CYBMUJFWSA-N 0 1 392.550 3.204 20 0 GGADMN Cc1ccccc1OCCCC(=O)Nc1ccc(CNCc2cnnn2C)cc1 ZINC000267490235 1434440132 /nfs/dbraw/zinc/44/01/32/1434440132.db2.gz CXHIHVHMXPYKDX-UHFFFAOYSA-N 0 1 393.491 3.211 20 0 GGADMN C[C@@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000267560389 1434445724 /nfs/dbraw/zinc/44/57/24/1434445724.db2.gz CXUQBQKWOZWSFB-HKUYNNGSSA-N 0 1 381.524 3.189 20 0 GGADMN C[C@@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)N(C)Cc1ccccc1 ZINC000267560389 1434445725 /nfs/dbraw/zinc/44/57/25/1434445725.db2.gz CXUQBQKWOZWSFB-HKUYNNGSSA-N 0 1 381.524 3.189 20 0 GGADMN C[C@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000267560391 1434445840 /nfs/dbraw/zinc/44/58/40/1434445840.db2.gz CXUQBQKWOZWSFB-MJGOQNOKSA-N 0 1 381.524 3.189 20 0 GGADMN C[C@H](C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)N(C)Cc1ccccc1 ZINC000267560391 1434445842 /nfs/dbraw/zinc/44/58/42/1434445842.db2.gz CXUQBQKWOZWSFB-MJGOQNOKSA-N 0 1 381.524 3.189 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1nccn1CCc1ccccc1)c1ccsc1 ZINC000267603663 1434449328 /nfs/dbraw/zinc/44/93/28/1434449328.db2.gz NLRKKVVBVYHHLO-IBGZPJMESA-N 0 1 397.548 3.289 20 0 GGADMN Nc1ccc(F)c(NC(=O)CCN2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000267635711 1434451753 /nfs/dbraw/zinc/45/17/53/1434451753.db2.gz UELBLTXYDKJVKR-UHFFFAOYSA-N 0 1 393.466 3.107 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCc2c(F)ccc(F)c2C1 ZINC000267676678 1434454736 /nfs/dbraw/zinc/45/47/36/1434454736.db2.gz FXDUIDQHBWQTHX-UHFFFAOYSA-N 0 1 386.446 3.092 20 0 GGADMN CO[C@H](C)c1nc(CN2CCCN(C[C@@H](O)c3ccccc3F)CC2)cs1 ZINC000267717130 1434458100 /nfs/dbraw/zinc/45/81/00/1434458100.db2.gz WUTXGUBBHFIPAC-DNVCBOLYSA-N 0 1 393.528 3.231 20 0 GGADMN CCC[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1nn[nH]n1 ZINC000267737213 1434459714 /nfs/dbraw/zinc/45/97/14/1434459714.db2.gz YCZOVBMJQCIBMR-AWEZNQCLSA-N 0 1 393.538 3.105 20 0 GGADMN CO[C@H](C)c1nc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cs1 ZINC000267775530 1434463493 /nfs/dbraw/zinc/46/34/93/1434463493.db2.gz UHIHTRUKDNSGLN-WBMJQRKESA-N 0 1 380.489 3.092 20 0 GGADMN COC(=O)c1cc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c[nH]1 ZINC000267785121 1434464366 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/nfs/dbraw/zinc/56/50/73/1434565073.db2.gz UDHPYBPPKCJKJC-HXUWFJFHSA-N 0 1 397.519 3.144 20 0 GGADMN CCOc1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1OC ZINC000268857587 1434565130 /nfs/dbraw/zinc/56/51/30/1434565130.db2.gz YCGDSPAWYKAWIZ-CQSZACIVSA-N 0 1 393.505 3.357 20 0 GGADMN COc1cc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)ccc1OCC(F)(F)F ZINC000268860284 1434565267 /nfs/dbraw/zinc/56/52/67/1434565267.db2.gz RHYTXCXHDKQROL-ZDUSSCGKSA-N 0 1 398.385 3.236 20 0 GGADMN COc1cc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1OCC(F)(F)F ZINC000268860281 1434565438 /nfs/dbraw/zinc/56/54/38/1434565438.db2.gz RHYTXCXHDKQROL-CYBMUJFWSA-N 0 1 398.385 3.236 20 0 GGADMN COc1ccc([C@@H](C)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c(F)c1 ZINC000268865060 1434565894 /nfs/dbraw/zinc/56/58/94/1434565894.db2.gz ZVJCWLGGQALQPZ-MRXNPFEDSA-N 0 1 385.483 3.073 20 0 GGADMN O=C(NCCCNc1ccc(C(F)(F)F)cn1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268871638 1434566437 /nfs/dbraw/zinc/56/64/37/1434566437.db2.gz URAFUOOFMUEGSB-CYBMUJFWSA-N 0 1 382.390 3.002 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268877239 1434566999 /nfs/dbraw/zinc/56/69/99/1434566999.db2.gz VVYGYLZJWXBYLH-QGZVFWFLSA-N 0 1 388.899 3.488 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000268879754 1434567273 /nfs/dbraw/zinc/56/72/73/1434567273.db2.gz VYNAJKQSUQSRPU-QGZVFWFLSA-N 0 1 398.526 3.411 20 0 GGADMN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268881452 1434567504 /nfs/dbraw/zinc/56/75/04/1434567504.db2.gz HYDUIACEGVIDCJ-KRWDZBQOSA-N 0 1 388.493 3.325 20 0 GGADMN Cc1cc(-c2noc([C@H](C)NC(=O)N[C@H]3CCCc4cn[nH]c43)n2)ccc1F ZINC000268895950 1434568571 /nfs/dbraw/zinc/56/85/71/1434568571.db2.gz QATCWLXSEQMYEI-NHYWBVRUSA-N 0 1 384.415 3.345 20 0 GGADMN O=C(Nc1nnc(CC(F)(F)F)s1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268901362 1434568981 /nfs/dbraw/zinc/56/89/81/1434568981.db2.gz CPMZGVRXBYKJNJ-GFCCVEGCSA-N 0 1 385.415 3.039 20 0 GGADMN COc1cc(OC)c(OC)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000268911798 1434570327 /nfs/dbraw/zinc/57/03/27/1434570327.db2.gz RCGWSNCOHMHDBY-CQSZACIVSA-N 0 1 379.482 3.198 20 0 GGADMN Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1 ZINC000268912556 1434570476 /nfs/dbraw/zinc/57/04/76/1434570476.db2.gz OHYRJTADGQVESX-WBVHZDCISA-N 0 1 384.871 3.263 20 0 GGADMN C[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268919507 1434571400 /nfs/dbraw/zinc/57/14/00/1434571400.db2.gz RPONOGMCLXPGKP-SJCJKPOMSA-N 0 1 382.468 3.131 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccco1 ZINC000268927712 1434571809 /nfs/dbraw/zinc/57/18/09/1434571809.db2.gz LHQJOQHSOOMIRP-SNVBAGLBSA-N 0 1 391.419 3.441 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)c2ccc(NC(N)=O)cc2)ccc1S(C)(=O)=O ZINC000268928058 1434571974 /nfs/dbraw/zinc/57/19/74/1434571974.db2.gz YSNSBWWSDNWXTF-OLZOCXBDSA-N 0 1 391.493 3.001 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(NC(N)=O)cc2)ccc1S(C)(=O)=O ZINC000268928060 1434571980 /nfs/dbraw/zinc/57/19/80/1434571980.db2.gz YSNSBWWSDNWXTF-QWHCGFSZSA-N 0 1 391.493 3.001 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268936077 1434572662 /nfs/dbraw/zinc/57/26/62/1434572662.db2.gz UNTYIGAGLZLRLV-OLZOCXBDSA-N 0 1 390.480 3.160 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000268935070 1434572671 /nfs/dbraw/zinc/57/26/71/1434572671.db2.gz BLNLLWMJTIRNOU-BPUTZDHNSA-N 0 1 391.516 3.122 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000268936316 1434572905 /nfs/dbraw/zinc/57/29/05/1434572905.db2.gz CBGRLNQCEJXEOT-JKSUJKDBSA-N 0 1 378.835 3.363 20 0 GGADMN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268937994 1434573018 /nfs/dbraw/zinc/57/30/18/1434573018.db2.gz GLGMDUYOZXBEFS-CYBMUJFWSA-N 0 1 389.868 3.399 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000268941481 1434573445 /nfs/dbraw/zinc/57/34/45/1434573445.db2.gz FHHARGMFMSKGTG-ZWKOTPCHSA-N 0 1 380.448 3.326 20 0 GGADMN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2cn3ccc(C)cc3n2)c1 ZINC000268941654 1434573472 /nfs/dbraw/zinc/57/34/72/1434573472.db2.gz VPKCZPMJXJSFGZ-HNNXBMFYSA-N 0 1 382.464 3.167 20 0 GGADMN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268944020 1434573882 /nfs/dbraw/zinc/57/38/82/1434573882.db2.gz GJDUEZOWGZBBQZ-QZTJIDSGSA-N 0 1 384.480 3.187 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000268949899 1434574297 /nfs/dbraw/zinc/57/42/97/1434574297.db2.gz IBLLNWKOCTYPEX-SJLPKXTDSA-N 0 1 381.480 3.156 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000268949896 1434574455 /nfs/dbraw/zinc/57/44/55/1434574455.db2.gz IBLLNWKOCTYPEX-AEFFLSMTSA-N 0 1 381.480 3.156 20 0 GGADMN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268952117 1434574633 /nfs/dbraw/zinc/57/46/33/1434574633.db2.gz IKBSFYZFCSYLMC-LJQANCHMSA-N 0 1 380.448 3.330 20 0 GGADMN C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268961697 1434575813 /nfs/dbraw/zinc/57/58/13/1434575813.db2.gz FXYRFIKPPPAZQR-INIZCTEOSA-N 0 1 399.466 3.470 20 0 GGADMN COc1cccc(Oc2ncccc2CNC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268964839 1434576578 /nfs/dbraw/zinc/57/65/78/1434576578.db2.gz CJOZHRATVPNGRF-SFHVURJKSA-N 0 1 393.447 3.482 20 0 GGADMN CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@@H]3CCCc4cn[nH]c43)ccc21 ZINC000268967631 1434576747 /nfs/dbraw/zinc/57/67/47/1434576747.db2.gz LAIYPZZFWXPHTN-QGZVFWFLSA-N 0 1 379.464 3.153 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccc(F)cc1 ZINC000268968406 1434576752 /nfs/dbraw/zinc/57/67/52/1434576752.db2.gz YFHKTDUWMAOFPY-LLVKDONJSA-N 0 1 391.394 3.206 20 0 GGADMN O=C(Nc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1)OCC(F)(F)F ZINC000268969057 1434576794 /nfs/dbraw/zinc/57/67/94/1434576794.db2.gz LIMVZSVCNCSMDZ-CYBMUJFWSA-N 0 1 382.342 3.328 20 0 GGADMN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCCc2cn[nH]c21 ZINC000268975270 1434577402 /nfs/dbraw/zinc/57/74/02/1434577402.db2.gz MFHIFYPEARRYSS-GFCCVEGCSA-N 0 1 387.793 3.473 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(CCCO)Cc1ccccc1 ZINC000268973320 1434577518 /nfs/dbraw/zinc/57/75/18/1434577518.db2.gz OZYVLWSYNHSLMK-UHFFFAOYSA-N 0 1 396.535 3.163 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000268979502 1434578100 /nfs/dbraw/zinc/57/81/00/1434578100.db2.gz BBMCSBRALCPPFP-KRWDZBQOSA-N 0 1 395.507 3.452 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000268979007 1434578118 /nfs/dbraw/zinc/57/81/18/1434578118.db2.gz MZBXECNMBPYXGV-CQSZACIVSA-N 0 1 375.354 3.422 20 0 GGADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268993620 1434579278 /nfs/dbraw/zinc/57/92/78/1434579278.db2.gz PIBMLKACSMKONI-HNAYVOBHSA-N 0 1 395.507 3.229 20 0 GGADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000268997538 1434580088 /nfs/dbraw/zinc/58/00/88/1434580088.db2.gz RKUKJSXOBRTVEU-CJNGLKHVSA-N 0 1 398.525 3.116 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000269003369 1434580219 /nfs/dbraw/zinc/58/02/19/1434580219.db2.gz YSKXEMOWMCZGKM-UHFFFAOYSA-N 0 1 392.477 3.033 20 0 GGADMN COc1cc(C(=O)N2CCC[C@H]2CCC(C)C)cc(NS(C)(=O)=O)c1OC ZINC000269003187 1434580266 /nfs/dbraw/zinc/58/02/66/1434580266.db2.gz VQZISEBOBFRTHY-HNNXBMFYSA-N 0 1 398.525 3.116 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H]1CCOC1 ZINC000269012824 1434581426 /nfs/dbraw/zinc/58/14/26/1434581426.db2.gz NJXPVDKLGWCHMJ-HOCLYGCPSA-N 0 1 378.469 3.141 20 0 GGADMN CCCN(C(=O)N[C@H]1CCCc2cn[nH]c21)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000269021249 1434582642 /nfs/dbraw/zinc/58/26/42/1434582642.db2.gz IJJCPHCAYYOKCY-HOTGVXAUSA-N 0 1 391.516 3.218 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000269021044 1434582708 /nfs/dbraw/zinc/58/27/08/1434582708.db2.gz IDYORTJUMAGPGD-CQSZACIVSA-N 0 1 395.294 3.021 20 0 GGADMN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@H]1CCCc2cn[nH]c21 ZINC000269023866 1434583025 /nfs/dbraw/zinc/58/30/25/1434583025.db2.gz KOEYCVRWLXZDPS-LBPRGKRZSA-N 0 1 388.880 3.201 20 0 GGADMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269026922 1434583299 /nfs/dbraw/zinc/58/32/99/1434583299.db2.gz VZRZPBBTMBWDBM-INIZCTEOSA-N 0 1 386.427 3.003 20 0 GGADMN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCCc2cn[nH]c21 ZINC000269026827 1434583456 /nfs/dbraw/zinc/58/34/56/1434583456.db2.gz VXKYMHJAIWYJRH-VQTJNVASSA-N 0 1 388.471 3.465 20 0 GGADMN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269037206 1434584561 /nfs/dbraw/zinc/58/45/61/1434584561.db2.gz XTXNFXMIUABUDA-OAGGEKHMSA-N 0 1 386.452 3.167 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2 ZINC000269041446 1434585018 /nfs/dbraw/zinc/58/50/18/1434585018.db2.gz RAIJFAFHHWRWMA-QGZVFWFLSA-N 0 1 384.480 3.352 20 0 GGADMN COc1ccc(CN(C)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1OC(F)F ZINC000269049542 1434585754 /nfs/dbraw/zinc/58/57/54/1434585754.db2.gz UQXDNIYRMKJLOI-CYBMUJFWSA-N 0 1 380.395 3.239 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000269133797 1434595926 /nfs/dbraw/zinc/59/59/26/1434595926.db2.gz HYRDXBPOIHAHBD-UHFFFAOYSA-N 0 1 387.505 3.006 20 0 GGADMN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)N[C@@H]1CCCc2cn[nH]c21 ZINC000269132713 1434595993 /nfs/dbraw/zinc/59/59/93/1434595993.db2.gz LTQATHSGHYXKGP-GFCCVEGCSA-N 0 1 391.357 3.208 20 0 GGADMN Cc1cc(-c2noc([C@H](C)NC(=O)[C@@H]3Cc4ccccc4CN3)n2)ccc1F ZINC000269136623 1434596077 /nfs/dbraw/zinc/59/60/77/1434596077.db2.gz WRKFZNDKFMLPRF-UGSOOPFHSA-N 0 1 380.423 3.076 20 0 GGADMN CCNc1nc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cs1 ZINC000269136041 1434596107 /nfs/dbraw/zinc/59/61/07/1434596107.db2.gz MLRHHQPUYUCYEO-UHFFFAOYSA-N 0 1 382.493 3.380 20 0 GGADMN Cn1ccnc1[C@@](O)(CNCc1cccc(-c2cccnc2)c1)C(F)(F)F ZINC000269170048 1434600712 /nfs/dbraw/zinc/60/07/12/1434600712.db2.gz YWJIKMDQPWQLQX-SFHVURJKSA-N 0 1 376.382 3.022 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCOC2(CCC2)C1)N1CCCC1 ZINC000269196784 1434606027 /nfs/dbraw/zinc/60/60/27/1434606027.db2.gz GRGXSUKAUFHIOX-IEBWSBKVSA-N 0 1 387.524 3.233 20 0 GGADMN CN(CCCCc1ccccc1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000269229648 1434610463 /nfs/dbraw/zinc/61/04/63/1434610463.db2.gz CMFFWEFMJSULEN-QHCPKHFHSA-N 0 1 390.531 3.283 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2)C[C@H](C)O1 ZINC000269232130 1434610918 /nfs/dbraw/zinc/61/09/18/1434610918.db2.gz ITIVYKCWKKEHOH-GJZGRUSLSA-N 0 1 387.911 3.461 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000269232822 1434611164 /nfs/dbraw/zinc/61/11/64/1434611164.db2.gz VGXBSSPTRIYWNF-XPWALMASSA-N 0 1 388.515 3.254 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000269240456 1434612422 /nfs/dbraw/zinc/61/24/22/1434612422.db2.gz MMWUNDULHKAGNX-YSZBQJHXSA-N 0 1 388.515 3.206 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)c2)CC1 ZINC000269296575 1434619786 /nfs/dbraw/zinc/61/97/86/1434619786.db2.gz WNDQDPSPKBZHHU-UHFFFAOYSA-N 0 1 393.531 3.159 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cn1 ZINC000269306269 1434620797 /nfs/dbraw/zinc/62/07/97/1434620797.db2.gz WYXLCLFAFBMKKD-MRXNPFEDSA-N 0 1 390.484 3.011 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1 ZINC000269333711 1434626674 /nfs/dbraw/zinc/62/66/74/1434626674.db2.gz IVEFNAUQHVNVMV-UHFFFAOYSA-N 0 1 375.450 3.276 20 0 GGADMN Cc1nc2scc(C3CC3)n2c1CNCc1cccnc1N1CCOCC1 ZINC000269376296 1434633893 /nfs/dbraw/zinc/63/38/93/1434633893.db2.gz QQRCZUQDQPPRJJ-UHFFFAOYSA-N 0 1 383.521 3.103 20 0 GGADMN COc1ccc([C@H](CN[C@@H](C)c2csc(C)n2)N2CCOCC2)cc1OC ZINC000269411249 1434640908 /nfs/dbraw/zinc/64/09/08/1434640908.db2.gz JCLJYJCPHLUAST-KSSFIOAISA-N 0 1 391.537 3.193 20 0 GGADMN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2cc(CN(C)C)ccn2)s1 ZINC000269430872 1434644455 /nfs/dbraw/zinc/64/44/55/1434644455.db2.gz HBXYNBOZHCJZBA-MRXNPFEDSA-N 0 1 396.520 3.064 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1 ZINC000269430647 1434644519 /nfs/dbraw/zinc/64/45/19/1434644519.db2.gz PKSYTZQUOAEVEN-HNNXBMFYSA-N 0 1 375.446 3.248 20 0 GGADMN CN(C)[C@H](CNC(=O)C1(OCc2ccccc2)CCOCC1)c1cccs1 ZINC000269454817 1434648144 /nfs/dbraw/zinc/64/81/44/1434648144.db2.gz LNAQAEPWKZSRRA-GOSISDBHSA-N 0 1 388.533 3.233 20 0 GGADMN O=C(COc1ccccc1O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000269490994 1434653154 /nfs/dbraw/zinc/65/31/54/1434653154.db2.gz SEFHTHLHHSMCEP-UHFFFAOYSA-N 0 1 397.475 3.224 20 0 GGADMN C[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000269572304 1434660116 /nfs/dbraw/zinc/66/01/16/1434660116.db2.gz HDMQYAOEQXBKHP-PAXLWEDBSA-N 0 1 398.507 3.412 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)Cc3ccco3)cc2)n[nH]1 ZINC000269623001 1434664398 /nfs/dbraw/zinc/66/43/98/1434664398.db2.gz USQRNWRNKMMQCL-UHFFFAOYSA-N 0 1 397.435 3.271 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)Cc3ccco3)cc2)n1 ZINC000269623001 1434664400 /nfs/dbraw/zinc/66/44/00/1434664400.db2.gz USQRNWRNKMMQCL-UHFFFAOYSA-N 0 1 397.435 3.271 20 0 GGADMN CC(=O)NCc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000269634178 1434665607 /nfs/dbraw/zinc/66/56/07/1434665607.db2.gz YCIFLUDFSRKJME-MRXNPFEDSA-N 0 1 395.507 3.065 20 0 GGADMN COCCn1cc(S(=O)(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)cn1 ZINC000269639225 1434665817 /nfs/dbraw/zinc/66/58/17/1434665817.db2.gz RBEMDVYHTYBTSE-MRXNPFEDSA-N 0 1 392.525 3.018 20 0 GGADMN CCCC[C@H](CC)COCc1cccc(NC(=O)[C@H](N)CCS(C)(=O)=O)c1 ZINC000269640830 1434666043 /nfs/dbraw/zinc/66/60/43/1434666043.db2.gz RGJHMTGEKGTVJI-QFBILLFUSA-N 0 1 398.569 3.120 20 0 GGADMN C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc1 ZINC000269651434 1434666912 /nfs/dbraw/zinc/66/69/12/1434666912.db2.gz DMOJKCLQKUMTJE-KBXCAEBGSA-N 0 1 392.546 3.240 20 0 GGADMN COc1cccc(COC[C@@H](O)CN2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000269657934 1434667122 /nfs/dbraw/zinc/66/71/22/1434667122.db2.gz SPKXOUFNRHTZSJ-AVRDEDQJSA-N 0 1 395.503 3.297 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCCC[C@H](SC)C1 ZINC000269655156 1434667291 /nfs/dbraw/zinc/66/72/91/1434667291.db2.gz NFDWRSZVNPGPEU-CJNGLKHVSA-N 0 1 379.526 3.198 20 0 GGADMN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC000269666847 1434668145 /nfs/dbraw/zinc/66/81/45/1434668145.db2.gz WCMWFRGQAIHIGY-MRXNPFEDSA-N 0 1 381.425 3.121 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000269680174 1434668897 /nfs/dbraw/zinc/66/88/97/1434668897.db2.gz FCJBVVVIVFHWMN-UHFFFAOYSA-N 0 1 391.468 3.194 20 0 GGADMN COC(=O)CCCCCCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000269703296 1434670571 /nfs/dbraw/zinc/67/05/71/1434670571.db2.gz PWWCJBPJIXKTOG-KRWDZBQOSA-N 0 1 390.528 3.030 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(CCCO)Cc2ccccc2)CC1 ZINC000269706806 1434670826 /nfs/dbraw/zinc/67/08/26/1434670826.db2.gz QKEHUBJMSZUWDU-IBGZPJMESA-N 0 1 396.535 3.201 20 0 GGADMN CCC(=O)NCc1cc(S(=O)(=O)Nc2ncc(C(C)C)s2)ccc1OC ZINC000269729359 1434672615 /nfs/dbraw/zinc/67/26/15/1434672615.db2.gz YBEPDMYRFDJSCW-UHFFFAOYSA-N 0 1 397.522 3.102 20 0 GGADMN O=C(NCc1cccc(COCC(F)(F)F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000269741823 1434673330 /nfs/dbraw/zinc/67/33/30/1434673330.db2.gz OCTHUQGBCPOCNL-HNNXBMFYSA-N 0 1 382.386 3.365 20 0 GGADMN O=C(NCc1cccc(COCC(F)(F)F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000269741825 1434673354 /nfs/dbraw/zinc/67/33/54/1434673354.db2.gz OCTHUQGBCPOCNL-OAHLLOKOSA-N 0 1 382.386 3.365 20 0 GGADMN O=C(C[C@@H]1CSCCS1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000269756938 1434674110 /nfs/dbraw/zinc/67/41/10/1434674110.db2.gz VHKFGSIIYJLVCE-MRXNPFEDSA-N 0 1 388.562 3.416 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1CSCCS1 ZINC000269763471 1434674194 /nfs/dbraw/zinc/67/41/94/1434674194.db2.gz KRWDRGWIMGZHMK-INIZCTEOSA-N 0 1 395.594 3.014 20 0 GGADMN COc1cc(CNCc2cc(Cl)ccc2F)ccc1OCC(=O)N(C)C ZINC000269843228 1434680643 /nfs/dbraw/zinc/68/06/43/1434680643.db2.gz CWKKVDLWUBGLER-UHFFFAOYSA-N 0 1 380.847 3.245 20 0 GGADMN Cn1c(=O)oc2c1cccc2NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000269910797 1434686198 /nfs/dbraw/zinc/68/61/98/1434686198.db2.gz OWGOWRYOFJVHLV-INIZCTEOSA-N 0 1 384.436 3.073 20 0 GGADMN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000269940514 1434688431 /nfs/dbraw/zinc/68/84/31/1434688431.db2.gz OYYNJTSELAWOPV-MAUKXSAKSA-N 0 1 393.409 3.166 20 0 GGADMN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H]1CN(C)CCN1C ZINC000269942670 1434688717 /nfs/dbraw/zinc/68/87/17/1434688717.db2.gz FVBLSBDDDUVWGF-GOSISDBHSA-N 0 1 389.975 3.044 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(OC(F)F)c(F)c1 ZINC000269957550 1434690060 /nfs/dbraw/zinc/69/00/60/1434690060.db2.gz IINDPGMABPDOMK-KRWDZBQOSA-N 0 1 391.393 3.355 20 0 GGADMN CCn1nccc1C=CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000269998872 1434692657 /nfs/dbraw/zinc/69/26/57/1434692657.db2.gz VVGDUTRQEVOKQK-CMDGGOBGSA-N 0 1 376.464 3.108 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccco1 ZINC000270097835 1434702767 /nfs/dbraw/zinc/70/27/67/1434702767.db2.gz BJFZIZJWDOLYLB-IQHHKKDSSA-N 0 1 391.537 3.460 20 0 GGADMN Fc1ccc(-n2cc(CNC3CCN(CC(F)(F)F)CC3)nn2)c(Cl)c1 ZINC000270195172 1434711902 /nfs/dbraw/zinc/71/19/02/1434711902.db2.gz IKCACZAIFBQQHQ-UHFFFAOYSA-N 0 1 391.800 3.176 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)C(F)(F)c1c(F)cccc1F ZINC000270202015 1434712562 /nfs/dbraw/zinc/71/25/62/1434712562.db2.gz JYLHWDHMLZCETA-UHFFFAOYSA-N 0 1 381.373 3.232 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cccc(-c4c(F)cccc4F)c3)C2)CC1 ZINC000270218536 1434713980 /nfs/dbraw/zinc/71/39/80/1434713980.db2.gz PBAJEAGSEIEFJO-IBGZPJMESA-N 0 1 399.485 3.484 20 0 GGADMN C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000270220208 1434714287 /nfs/dbraw/zinc/71/42/87/1434714287.db2.gz MVJKIZYKAYZMST-DYVFJYSZSA-N 0 1 395.550 3.096 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000270241580 1434715915 /nfs/dbraw/zinc/71/59/15/1434715915.db2.gz QLCGSWYXGZWTJX-CQSZACIVSA-N 0 1 393.505 3.357 20 0 GGADMN COc1cc(C)nc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c1 ZINC000270266820 1434717842 /nfs/dbraw/zinc/71/78/42/1434717842.db2.gz KRRLJUHGIWWROL-UHFFFAOYSA-N 0 1 393.528 3.294 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)C(F)(F)c1c(F)cccc1F ZINC000270265890 1434717982 /nfs/dbraw/zinc/71/79/82/1434717982.db2.gz VGQRITQANOMYBT-UHFFFAOYSA-N 0 1 381.373 3.232 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000270292045 1434720409 /nfs/dbraw/zinc/72/04/09/1434720409.db2.gz LPKQSLXJVVNWPP-LBPRGKRZSA-N 0 1 375.429 3.040 20 0 GGADMN C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000270295202 1434720637 /nfs/dbraw/zinc/72/06/37/1434720637.db2.gz XOQHMVAMARAIDB-KUNJGFBQSA-N 0 1 391.512 3.055 20 0 GGADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000270295208 1434720646 /nfs/dbraw/zinc/72/06/46/1434720646.db2.gz XOQHMVAMARAIDB-YVORESIASA-N 0 1 391.512 3.055 20 0 GGADMN C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc([S@](C)=O)cc1 ZINC000270295204 1434720771 /nfs/dbraw/zinc/72/07/71/1434720771.db2.gz XOQHMVAMARAIDB-QZXCRCNTSA-N 0 1 391.512 3.055 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccccc3CCC(F)(F)F)C2)CC1 ZINC000270314898 1434722598 /nfs/dbraw/zinc/72/25/98/1434722598.db2.gz SBLFEIDNJBTHPT-KRWDZBQOSA-N 0 1 383.458 3.034 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccccc3CCC(F)(F)F)C2)CC1 ZINC000270314899 1434722708 /nfs/dbraw/zinc/72/27/08/1434722708.db2.gz SBLFEIDNJBTHPT-QGZVFWFLSA-N 0 1 383.458 3.034 20 0 GGADMN O=C(c1ccccc1CCC(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000270342761 1434724829 /nfs/dbraw/zinc/72/48/29/1434724829.db2.gz RBTDJSABSJXKCY-UHFFFAOYSA-N 0 1 384.442 3.366 20 0 GGADMN O=C(CCN1CC=C(C(F)(F)F)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000270352894 1434725508 /nfs/dbraw/zinc/72/55/08/1434725508.db2.gz WPMLQLFCXBHWRE-UHFFFAOYSA-N 0 1 381.398 3.336 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC000270359599 1434726366 /nfs/dbraw/zinc/72/63/66/1434726366.db2.gz GGKULFSHHKQQIK-ZDUSSCGKSA-N 0 1 377.462 3.012 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000270364153 1434726655 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O=C(NCc1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1)c1ccccc1 ZINC000270517903 1434740768 /nfs/dbraw/zinc/74/07/68/1434740768.db2.gz QYKRVWFBDRIILO-UHOSZYNNSA-N 0 1 383.517 3.120 20 0 GGADMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000270517094 1434740811 /nfs/dbraw/zinc/74/08/11/1434740811.db2.gz ZWLGYTSGQPTJLH-OXQOHEQNSA-N 0 1 387.505 3.121 20 0 GGADMN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)NCCc1nc(C)n[nH]1)OCC3 ZINC000270541418 1434742953 /nfs/dbraw/zinc/74/29/53/1434742953.db2.gz XPRGTDRRBZPROD-JOCHJYFZSA-N 0 1 395.507 3.084 20 0 GGADMN COc1cc(CN(C[C@H](O)COc2cccc(C(C)=O)c2)C2CC2)ccc1O ZINC000270546332 1434743357 /nfs/dbraw/zinc/74/33/57/1434743357.db2.gz IFNNEBWWHUTUPN-IBGZPJMESA-N 0 1 385.460 3.008 20 0 GGADMN CN(Cc1ccon1)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270550239 1434743909 /nfs/dbraw/zinc/74/39/09/1434743909.db2.gz BKJTUNAIWQHVAX-DYVFJYSZSA-N 0 1 380.851 3.302 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)n[nH]1 ZINC000270576166 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AQVHUOBDYSYTRG-ZDUSSCGKSA-N 0 1 384.484 3.312 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270595727 1434748446 /nfs/dbraw/zinc/74/84/46/1434748446.db2.gz FVULEWRJLYXPED-PJIJBLCYSA-N 0 1 390.890 3.116 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n[nH]1 ZINC000270594323 1434748562 /nfs/dbraw/zinc/74/85/62/1434748562.db2.gz CXINNPMXUKYJHV-ZDUSSCGKSA-N 0 1 389.459 3.315 20 0 GGADMN COc1ccc([C@H](CCO)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000270598808 1434748743 /nfs/dbraw/zinc/74/87/43/1434748743.db2.gz FGZFVMFFPLWQJJ-KDOFPFPSSA-N 0 1 375.465 3.495 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)n[nH]1 ZINC000270606178 1434749625 /nfs/dbraw/zinc/74/96/25/1434749625.db2.gz DRVUAQRWAQNKFH-HNNXBMFYSA-N 0 1 379.464 3.449 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)n[nH]1 ZINC000270607673 1434749902 /nfs/dbraw/zinc/74/99/02/1434749902.db2.gz FSPAOHNJTPMXDZ-CQSZACIVSA-N 0 1 399.495 3.142 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)n[nH]1 ZINC000270609902 1434750207 /nfs/dbraw/zinc/75/02/07/1434750207.db2.gz DTCWHQMHCHXUSH-NSHDSACASA-N 0 1 392.891 3.289 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n[nH]1 ZINC000270615142 1434751151 /nfs/dbraw/zinc/75/11/51/1434751151.db2.gz GYLUQKHMZVHVBW-NWDGAFQWSA-N 0 1 375.448 3.416 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)n[nH]1 ZINC000270627087 1434752562 /nfs/dbraw/zinc/75/25/62/1434752562.db2.gz GOSMTQVCCBBCLL-LBPRGKRZSA-N 0 1 392.891 3.301 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccnc(OCc3ccccc3)c2)n[nH]1 ZINC000270625640 1434752660 /nfs/dbraw/zinc/75/26/60/1434752660.db2.gz GJWZYFVNCFEXHE-OAHLLOKOSA-N 0 1 394.479 3.463 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(OC(F)F)c3ncccc23)n[nH]1 ZINC000270625673 1434752831 /nfs/dbraw/zinc/75/28/31/1434752831.db2.gz GLEFWDDLILSANS-SECBINFHSA-N 0 1 376.367 3.399 20 0 GGADMN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(OC(F)F)c1 ZINC000270629563 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1 375.473 3.364 20 0 GGADMN COC(=O)COc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270643460 1434755100 /nfs/dbraw/zinc/75/51/00/1434755100.db2.gz IJQPSVSVAOYRIU-JTQLQIEISA-N 0 1 395.847 3.016 20 0 GGADMN CCOCCOCc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270643498 1434755206 /nfs/dbraw/zinc/75/52/06/1434755206.db2.gz IKJRVZBSBGPGLJ-AWEZNQCLSA-N 0 1 375.473 3.364 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)n[nH]1 ZINC000270642904 1434755278 /nfs/dbraw/zinc/75/52/78/1434755278.db2.gz KVEMWXGHODLXFK-NWDGAFQWSA-N 0 1 375.477 3.480 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)n[nH]1 ZINC000270644875 1434755552 /nfs/dbraw/zinc/75/55/52/1434755552.db2.gz IMSHQWDKMSDYAA-LLVKDONJSA-N 0 1 397.439 3.089 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)n[nH]1 ZINC000270646330 1434755570 /nfs/dbraw/zinc/75/55/70/1434755570.db2.gz IPJIWUPPPITCPS-CQSZACIVSA-N 0 1 387.484 3.364 20 0 GGADMN COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000270649278 1434755880 /nfs/dbraw/zinc/75/58/80/1434755880.db2.gz QCMBPSSOFJLUJH-FZKQIMNGSA-N 0 1 399.459 3.466 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000270646355 1434755915 /nfs/dbraw/zinc/75/59/15/1434755915.db2.gz IPUDODOMZIOTFB-KKUMJFAQSA-N 0 1 398.511 3.368 20 0 GGADMN Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000270652796 1434756832 /nfs/dbraw/zinc/75/68/32/1434756832.db2.gz UGWUHFPDSXWAJO-SFHVURJKSA-N 0 1 380.492 3.243 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)n[nH]1 ZINC000270655783 1434756965 /nfs/dbraw/zinc/75/69/65/1434756965.db2.gz MTYHVGFDYBVVTM-MAUKXSAKSA-N 0 1 378.480 3.415 20 0 GGADMN CCOc1cc(CCCNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1OC ZINC000270655853 1434757081 /nfs/dbraw/zinc/75/70/81/1434757081.db2.gz MVTZTJUBPZRILH-CQSZACIVSA-N 0 1 389.500 3.328 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)n[nH]1 ZINC000270655785 1434757193 /nfs/dbraw/zinc/75/71/93/1434757193.db2.gz MTYHVGFDYBVVTM-YJBOKZPZSA-N 0 1 378.480 3.415 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)n[nH]1 ZINC000270655781 1434757245 /nfs/dbraw/zinc/75/72/45/1434757245.db2.gz MTYHVGFDYBVVTM-CRAIPNDOSA-N 0 1 378.480 3.415 20 0 GGADMN CN1CC[C@H](CNC(=O)COc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270654701 1434757286 /nfs/dbraw/zinc/75/72/86/1434757286.db2.gz PKIAQJJTXDOBEE-KUHUBIRLSA-N 0 1 377.847 3.062 20 0 GGADMN CCOc1cc(CCCNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1OC ZINC000270655852 1434757306 /nfs/dbraw/zinc/75/73/06/1434757306.db2.gz MVTZTJUBPZRILH-AWEZNQCLSA-N 0 1 389.500 3.328 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)n[nH]1 ZINC000270660755 1434758100 /nfs/dbraw/zinc/75/81/00/1434758100.db2.gz NMFZEWVQQQFZKM-VIFPVBQESA-N 0 1 383.424 3.059 20 0 GGADMN CCOCCOCc1cccc(NC(=O)N[C@H](C)c2n[nH]c(CC)n2)c1C ZINC000270664048 1434758338 /nfs/dbraw/zinc/75/83/38/1434758338.db2.gz KPSZDBAHHSVJMP-CQSZACIVSA-N 0 1 375.473 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ZINC000270681049 1434761091 /nfs/dbraw/zinc/76/10/91/1434761091.db2.gz MOSPWMXZKYXXSN-NSHDSACASA-N 0 1 381.864 3.319 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)n[nH]1 ZINC000270683685 1434761472 /nfs/dbraw/zinc/76/14/72/1434761472.db2.gz QIVORHXCVFASRS-JTQLQIEISA-N 0 1 395.916 3.337 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(S[C@H](C)CC)cc2C)n[nH]1 ZINC000270689984 1434762408 /nfs/dbraw/zinc/76/24/08/1434762408.db2.gz RBYHWUHSKRKLAW-CHWSQXEVSA-N 0 1 389.525 3.382 20 0 GGADMN CN1C(=O)C[C@H](NCc2cnc([C@@H]3CCCO3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270694657 1434762823 /nfs/dbraw/zinc/76/28/23/1434762823.db2.gz WRZWLSGEMONZAU-BQFCYCMXSA-N 0 1 393.459 3.334 20 0 GGADMN CN1C(=O)C[C@H](NCc2cnc([C@H]3CCCO3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270694659 1434762907 /nfs/dbraw/zinc/76/29/07/1434762907.db2.gz WRZWLSGEMONZAU-JZXOWHBKSA-N 0 1 393.459 3.334 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)n[nH]1 ZINC000270704445 1434764011 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CCc1nc([C@@H](C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n[nH]1 ZINC000270801943 1434776413 /nfs/dbraw/zinc/77/64/13/1434776413.db2.gz WONCFIICQIPCEC-HIFRSBDPSA-N 0 1 387.484 3.200 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CCSc2ccc3c(c2)OCCO3)n[nH]1 ZINC000270805449 1434776663 /nfs/dbraw/zinc/77/66/63/1434776663.db2.gz XCJPFUIOQRHQAA-LBPRGKRZSA-N 0 1 376.482 3.059 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)[C@@H](CO)c1ccc(OC)cc1)c1ccco1 ZINC000270807900 1434777146 /nfs/dbraw/zinc/77/71/46/1434777146.db2.gz NIVVPRGTYZULJM-OALUTQOASA-N 0 1 389.496 3.046 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)n[nH]1 ZINC000270810367 1434777599 /nfs/dbraw/zinc/77/75/99/1434777599.db2.gz XWWXIMRFLDNIQU-LBPRGKRZSA-N 0 1 386.887 3.243 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2n[nH]c(CC)n2)cc1OCC ZINC000270814901 1434777849 /nfs/dbraw/zinc/77/78/49/1434777849.db2.gz YGKXLVWZMAYEOL-QWHCGFSZSA-N 0 1 375.473 3.286 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2n[nH]c(CC)n2)cc1OCC ZINC000270814899 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KHWWEZZOAVZVLZ-KRWDZBQOSA-N 0 1 376.464 3.196 20 0 GGADMN CC(=O)c1ccc(NC(=O)CCN2CCN(C(C)=O)C3(CCCCC3)C2)cc1 ZINC000270864071 1434782398 /nfs/dbraw/zinc/78/23/98/1434782398.db2.gz KJMVXJBJCSHGOV-UHFFFAOYSA-N 0 1 385.508 3.085 20 0 GGADMN O=C(Nc1nnc(-c2ccco2)s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270862231 1434782646 /nfs/dbraw/zinc/78/26/46/1434782646.db2.gz KAPWOOKUKUFPSU-NSHDSACASA-N 0 1 385.453 3.205 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270865530 1434782867 /nfs/dbraw/zinc/78/28/67/1434782867.db2.gz KZHLLNNBZBUKQZ-AWEZNQCLSA-N 0 1 398.467 3.061 20 0 GGADMN Cc1nnc(-c2ccc(C(=O)Nc3ccccc3CN3CCC(O)CC3)cc2)o1 ZINC000270890571 1434785671 /nfs/dbraw/zinc/78/56/71/1434785671.db2.gz DJVCDQAUYINPAY-UHFFFAOYSA-N 0 1 392.459 3.254 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000270903040 1434786394 /nfs/dbraw/zinc/78/63/94/1434786394.db2.gz VEWLUSIGFYYEBT-CYBMUJFWSA-N 0 1 384.440 3.272 20 0 GGADMN CC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC12CCCCC2 ZINC000270901847 1434786527 /nfs/dbraw/zinc/78/65/27/1434786527.db2.gz RIIZGNVFWLTCFR-UHFFFAOYSA-N 0 1 396.535 3.366 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)C1(C)COC(C)(C)OC1 ZINC000270946692 1434790085 /nfs/dbraw/zinc/79/00/85/1434790085.db2.gz NSIZTOVMOAKJNV-UHFFFAOYSA-N 0 1 378.538 3.272 20 0 GGADMN CCOC(=O)Cc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000270970450 1434792136 /nfs/dbraw/zinc/79/21/36/1434792136.db2.gz PYMOLORUGBQJRP-INIZCTEOSA-N 0 1 397.479 3.199 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000270991439 1434793652 /nfs/dbraw/zinc/79/36/52/1434793652.db2.gz DCVYGNSLUFEVCO-GOSISDBHSA-N 0 1 386.459 3.435 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000271014670 1434795827 /nfs/dbraw/zinc/79/58/27/1434795827.db2.gz HBUWDFOFRIVEDD-BTYIYWSLSA-N 0 1 383.496 3.048 20 0 GGADMN COc1cc(CN2CCC(NC(=O)C(C)C)CC2)ccc1OCc1ccncc1 ZINC000271045092 1434798161 /nfs/dbraw/zinc/79/81/61/1434798161.db2.gz LBUPXFXSJXAGOP-UHFFFAOYSA-N 0 1 397.519 3.406 20 0 GGADMN CN1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C(C)(C)C1 ZINC000271052723 1434798757 /nfs/dbraw/zinc/79/87/57/1434798757.db2.gz QETDMZYHKJMAFX-INIZCTEOSA-N 0 1 386.521 3.045 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(Cc3cnc(N(C)C)s3)CC2)cc1F ZINC000271058354 1434799404 /nfs/dbraw/zinc/79/94/04/1434799404.db2.gz VEMYKLRPQAZBML-UHFFFAOYSA-N 0 1 390.528 3.185 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(-n3cnc4ccccc43)nc2)n[nH]1 ZINC000271059000 1434799599 /nfs/dbraw/zinc/79/95/99/1434799599.db2.gz BTIYDJLACVKAJO-CYBMUJFWSA-N 0 1 375.436 3.153 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(-n3cnc4ccccc43)nc2)n[nH]1 ZINC000271059004 1434799648 /nfs/dbraw/zinc/79/96/48/1434799648.db2.gz BTIYDJLACVKAJO-ZDUSSCGKSA-N 0 1 375.436 3.153 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)C[C@@H]3Oc4ccccc4NC3=O)c2C1 ZINC000271081079 1434801015 /nfs/dbraw/zinc/80/10/15/1434801015.db2.gz RACMGRBDKBCKMZ-FQEVSTJZSA-N 0 1 379.460 3.387 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000271085795 1434801157 /nfs/dbraw/zinc/80/11/57/1434801157.db2.gz GYKULVQIFONHAR-CQSZACIVSA-N 0 1 391.899 3.156 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n[nH]1 ZINC000271108780 1434802497 /nfs/dbraw/zinc/80/24/97/1434802497.db2.gz ILAMINLARVXDDP-VIFPVBQESA-N 0 1 396.348 3.202 20 0 GGADMN Cc1nn2c(CN(C)C3CCN(C(=O)OC(C)(C)C)CC3)c(C)nc2s1 ZINC000271109904 1434802604 /nfs/dbraw/zinc/80/26/04/1434802604.db2.gz ZXFRTJWAIRMQAL-UHFFFAOYSA-N 0 1 379.530 3.239 20 0 GGADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271128425 1434803547 /nfs/dbraw/zinc/80/35/47/1434803547.db2.gz MKVXLKVZWIUFAI-NSHDSACASA-N 0 1 386.481 3.499 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)n[nH]1 ZINC000271128414 1434803583 /nfs/dbraw/zinc/80/35/83/1434803583.db2.gz MKJBRLWIASYDFC-LLVKDONJSA-N 0 1 392.385 3.371 20 0 GGADMN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)no1 ZINC000271141225 1434804330 /nfs/dbraw/zinc/80/43/30/1434804330.db2.gz PABWLHHOHOEJQR-LBPRGKRZSA-N 0 1 386.481 3.403 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)n[nH]1 ZINC000271148177 1434804717 /nfs/dbraw/zinc/80/47/17/1434804717.db2.gz PZLFUPBTPODSID-LBPRGKRZSA-N 0 1 386.887 3.373 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)n[nH]1 ZINC000271148176 1434804785 /nfs/dbraw/zinc/80/47/85/1434804785.db2.gz PZLFUPBTPODSID-GFCCVEGCSA-N 0 1 386.887 3.373 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccccc2N(C)C(=O)c2ccco2)n[nH]1 ZINC000271158567 1434805227 /nfs/dbraw/zinc/80/52/27/1434805227.db2.gz RHIGNMUBJLGRQD-CYBMUJFWSA-N 0 1 381.436 3.289 20 0 GGADMN COc1ccc(-c2nc(CN3CCC(CCC(N)=O)CC3)cs2)cc1OC ZINC000271157003 1434805274 /nfs/dbraw/zinc/80/52/74/1434805274.db2.gz JLNUHGMZXSSSBV-UHFFFAOYSA-N 0 1 389.521 3.305 20 0 GGADMN COCC1(O)CCN(Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000271162095 1434805680 /nfs/dbraw/zinc/80/56/80/1434805680.db2.gz DMUYQAQPGIXHKZ-UHFFFAOYSA-N 0 1 377.916 3.175 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)n[nH]1 ZINC000271165372 1434805896 /nfs/dbraw/zinc/80/58/96/1434805896.db2.gz SCVGKCZTQOREAG-NSHDSACASA-N 0 1 392.385 3.371 20 0 GGADMN CCOc1c(OC)cc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1OC ZINC000271175047 1434806360 /nfs/dbraw/zinc/80/63/60/1434806360.db2.gz IZINSOQPFXQNLE-GOSISDBHSA-N 0 1 375.465 3.277 20 0 GGADMN COc1cc(OC)c(OC)cc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000271183562 1434806795 /nfs/dbraw/zinc/80/67/95/1434806795.db2.gz LGHFIUYRMDWJNQ-GOSISDBHSA-N 0 1 379.497 3.263 20 0 GGADMN COCOc1ccc(OC)cc1CN[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000271186498 1434807087 /nfs/dbraw/zinc/80/70/87/1434807087.db2.gz FPMQEAUGCGELEF-OAQYLSRUSA-N 0 1 398.503 3.001 20 0 GGADMN CCOc1cc(CN(CC)Cc2ccccn2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000271190400 1434807235 /nfs/dbraw/zinc/80/72/35/1434807235.db2.gz PIUOQPMDHFTEOI-KRWDZBQOSA-N 0 1 385.508 3.358 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC[C@]1(C)CCCO ZINC000271196825 1434807433 /nfs/dbraw/zinc/80/74/33/1434807433.db2.gz OOTRASQZCLOOKP-JOCHJYFZSA-N 0 1 384.524 3.363 20 0 GGADMN COc1cc(OC)c(CN2CCC(C(=O)NC3CCCCC3)CC2)c(OC)c1 ZINC000271193476 1434807467 /nfs/dbraw/zinc/80/74/67/1434807467.db2.gz NTQSOGCSPPKERH-UHFFFAOYSA-N 0 1 390.524 3.373 20 0 GGADMN COc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc(OC)c1OC ZINC000271200934 1434807622 /nfs/dbraw/zinc/80/76/22/1434807622.db2.gz TXUQDZXCLPPDBK-GOEBONIOSA-N 0 1 394.512 3.448 20 0 GGADMN COCOc1ccc(OC)cc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000271201213 1434807976 /nfs/dbraw/zinc/80/79/76/1434807976.db2.gz UHWZBGRGLBYZCR-YJBOKZPZSA-N 0 1 394.512 3.413 20 0 GGADMN COc1cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000271218610 1434808887 /nfs/dbraw/zinc/80/88/87/1434808887.db2.gz YZYSMNHVIWDKJR-AWEZNQCLSA-N 0 1 380.485 3.059 20 0 GGADMN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271220648 1434809046 /nfs/dbraw/zinc/80/90/46/1434809046.db2.gz ZZBPAXGQCJKDBX-MPGHIAIKSA-N 0 1 397.523 3.105 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000271220874 1434809147 /nfs/dbraw/zinc/80/91/47/1434809147.db2.gz FZWIPJWFWMGXOH-CRAIPNDOSA-N 0 1 379.932 3.419 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000271232294 1434809690 /nfs/dbraw/zinc/80/96/90/1434809690.db2.gz BLPTUXGNJPYIQW-UHFFFAOYSA-N 0 1 398.435 3.083 20 0 GGADMN CCOCCO[C@H]1CCN(Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000271235971 1434810024 /nfs/dbraw/zinc/81/00/24/1434810024.db2.gz BAISHNABNLRVJP-FQEVSTJZSA-N 0 1 386.492 3.297 20 0 GGADMN COc1ccccc1COC1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000271236830 1434810088 /nfs/dbraw/zinc/81/00/88/1434810088.db2.gz DPQJRKJLHJQKMA-SFHVURJKSA-N 0 1 384.480 3.187 20 0 GGADMN c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000271242118 1434810338 /nfs/dbraw/zinc/81/03/38/1434810338.db2.gz YXGSJJBQXMXCEZ-OAHLLOKOSA-N 0 1 393.447 3.445 20 0 GGADMN COC(=O)c1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1C ZINC000271247023 1434810687 /nfs/dbraw/zinc/81/06/87/1434810687.db2.gz VXKFOUSHLWGRLG-CQSZACIVSA-N 0 1 383.452 3.189 20 0 GGADMN COC(=O)c1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1C ZINC000271247022 1434810830 /nfs/dbraw/zinc/81/08/30/1434810830.db2.gz VXKFOUSHLWGRLG-AWEZNQCLSA-N 0 1 383.452 3.189 20 0 GGADMN CN(C(=O)CN1CCC(CCC(N)=O)CC1)C(c1ccccc1)c1ccccc1 ZINC000271257780 1434811312 /nfs/dbraw/zinc/81/13/12/1434811312.db2.gz UEDRECNNBJTAIG-UHFFFAOYSA-N 0 1 393.531 3.212 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H](C)C2)N2CCCCC2)cc1 ZINC000271294588 1434813763 /nfs/dbraw/zinc/81/37/63/1434813763.db2.gz RXGVKRKZNDBDGS-POAQFYNOSA-N 0 1 375.513 3.089 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@H]2CCO[C@H](C)C2)N2CCCCC2)cc1 ZINC000271293437 1434813808 /nfs/dbraw/zinc/81/38/08/1434813808.db2.gz RXGVKRKZNDBDGS-KPFFTGBYSA-N 0 1 375.513 3.089 20 0 GGADMN CCCCN1C(=O)c2ccc(C(=O)Nc3c(C)n[nH]c3C(F)F)cc2C1=O ZINC000271310106 1434814952 /nfs/dbraw/zinc/81/49/52/1434814952.db2.gz VDSIJDWOQJETMU-UHFFFAOYSA-N 0 1 376.363 3.304 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000271313804 1434815414 /nfs/dbraw/zinc/81/54/14/1434815414.db2.gz VYQOHMHEDIFJSD-CQSZACIVSA-N 0 1 376.407 3.455 20 0 GGADMN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)n[nH]c3C(F)F)o2)cc1 ZINC000271317730 1434815641 /nfs/dbraw/zinc/81/56/41/1434815641.db2.gz WQVPOQNBFSLKCP-UHFFFAOYSA-N 0 1 395.391 3.445 20 0 GGADMN Cc1cc(C)c(N2C[C@@H](C(=O)Nc3ccccc3-c3nnc[nH]3)CC2=O)c(C)c1 ZINC000271324420 1434816116 /nfs/dbraw/zinc/81/61/16/1434816116.db2.gz BLGOGLHMAAEHTH-INIZCTEOSA-N 0 1 389.459 3.389 20 0 GGADMN C[C@@H]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@H]1n1ccnc1 ZINC000271337940 1434817109 /nfs/dbraw/zinc/81/71/09/1434817109.db2.gz WSGPYGCUDVPLCL-VQIMIIECSA-N 0 1 396.516 3.128 20 0 GGADMN C[C@@H]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@@H]1n1ccnc1 ZINC000271337924 1434817127 /nfs/dbraw/zinc/81/71/27/1434817127.db2.gz WSGPYGCUDVPLCL-APWZRJJASA-N 0 1 396.516 3.128 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2ccn(CC(F)(F)F)n2)CC1 ZINC000271337344 1434817194 /nfs/dbraw/zinc/81/71/94/1434817194.db2.gz GHUUYRRNURRZSL-UHFFFAOYSA-N 0 1 387.837 3.463 20 0 GGADMN C[C@@H]1CN(CC2CCN(C(=O)CCC(=O)c3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000271338057 1434817334 /nfs/dbraw/zinc/81/73/34/1434817334.db2.gz WUHTWVSONBTUGW-IAGOWNOFSA-N 0 1 390.499 3.136 20 0 GGADMN CCN(C[C@@H]1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1)CC(F)(F)F ZINC000271359994 1434818963 /nfs/dbraw/zinc/81/89/63/1434818963.db2.gz ZZVBOGRDGIEUAK-KBPBESRZSA-N 0 1 382.430 3.340 20 0 GGADMN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000271366401 1434819469 /nfs/dbraw/zinc/81/94/69/1434819469.db2.gz KBLYTRAHNGPYHC-UHFFFAOYSA-N 0 1 378.450 3.242 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCO[C@@H](C)C2)CC1 ZINC000271399612 1434822064 /nfs/dbraw/zinc/82/20/64/1434822064.db2.gz NKFAODFWBXEMKD-HOCLYGCPSA-N 0 1 380.920 3.171 20 0 GGADMN COc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)c(Cl)c1OC ZINC000271417597 1434823085 /nfs/dbraw/zinc/82/30/85/1434823085.db2.gz YPRQIQHVJXCVNM-YOEHRIQHSA-N 0 1 379.888 3.036 20 0 GGADMN COc1ccc([C@H](OC)[C@H](C)NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271426612 1434823652 /nfs/dbraw/zinc/82/36/52/1434823652.db2.gz WDFGWURMOOURBN-HEHGZKQESA-N 0 1 375.473 3.073 20 0 GGADMN C[C@@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000271425723 1434823695 /nfs/dbraw/zinc/82/36/95/1434823695.db2.gz QXMDAHYELWHEEQ-UONOGXRCSA-N 0 1 385.464 3.410 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000271461210 1434826732 /nfs/dbraw/zinc/82/67/32/1434826732.db2.gz BUDZRQHBTZWVGR-UHFFFAOYSA-N 0 1 378.358 3.029 20 0 GGADMN Cc1ocnc1CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271463156 1434827016 /nfs/dbraw/zinc/82/70/16/1434827016.db2.gz CBZSJNNCQYJMKK-SUMWQHHRSA-N 0 1 380.851 3.268 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000271468686 1434827421 /nfs/dbraw/zinc/82/74/21/1434827421.db2.gz LJGRUBWKWSURED-CVEARBPZSA-N 0 1 386.517 3.109 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000271478805 1434828225 /nfs/dbraw/zinc/82/82/25/1434828225.db2.gz DTRLFHNPNUEUQM-HNNXBMFYSA-N 0 1 397.479 3.447 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271482388 1434828438 /nfs/dbraw/zinc/82/84/38/1434828438.db2.gz STPQWWQRJPGKHL-GHMZBOCLSA-N 0 1 378.301 3.420 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000271485326 1434828710 /nfs/dbraw/zinc/82/87/10/1434828710.db2.gz NZQUJQGAVCPRAK-KDOFPFPSSA-N 0 1 390.480 3.075 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271490207 1434829300 /nfs/dbraw/zinc/82/93/00/1434829300.db2.gz KFUSJQGHRLGZOJ-GFCCVEGCSA-N 0 1 385.480 3.392 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271496165 1434829704 /nfs/dbraw/zinc/82/97/04/1434829704.db2.gz LOXMEIKJFAWLHS-HUUCEWRRSA-N 0 1 393.557 3.370 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000271498625 1434829896 /nfs/dbraw/zinc/82/98/96/1434829896.db2.gz KFDABHMEVHJZNC-CTNGQTDRSA-N 0 1 389.540 3.116 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000271505095 1434830323 /nfs/dbraw/zinc/83/03/23/1434830323.db2.gz MMUZAEVXHPFZOC-DZWULXIXSA-N 0 1 395.546 3.248 20 0 GGADMN CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000271507465 1434830535 /nfs/dbraw/zinc/83/05/35/1434830535.db2.gz MHNIEQAYPZKSJK-UHFFFAOYSA-N 0 1 391.468 3.045 20 0 GGADMN Cc1ocnc1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000271511993 1434830797 /nfs/dbraw/zinc/83/07/97/1434830797.db2.gz PGTQCJAICXFXLW-UHFFFAOYSA-N 0 1 376.888 3.348 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000271517094 1434831268 /nfs/dbraw/zinc/83/12/68/1434831268.db2.gz UECYMQYQIKKUJW-CVEARBPZSA-N 0 1 398.503 3.336 20 0 GGADMN CO[C@H](C)[C@@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000271530125 1434832318 /nfs/dbraw/zinc/83/23/18/1434832318.db2.gz RWNFDRQBCIQKDS-VLXJIEOASA-N 0 1 383.460 3.471 20 0 GGADMN CO[C@H](C)[C@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000271530133 1434832362 /nfs/dbraw/zinc/83/23/62/1434832362.db2.gz RWNFDRQBCIQKDS-XEKQOVJPSA-N 0 1 383.460 3.471 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2cccc(N3CCNC3=O)c2)CC1 ZINC000271533625 1434832651 /nfs/dbraw/zinc/83/26/51/1434832651.db2.gz RQSITUNXAVVGCA-UHFFFAOYSA-N 0 1 399.926 3.234 20 0 GGADMN COc1cc(OC)c([C@H](C)N[C@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000271533982 1434832682 /nfs/dbraw/zinc/83/26/82/1434832682.db2.gz RQMLSIKHBSBDLI-YEWWUXTCSA-N 0 1 379.884 3.492 20 0 GGADMN C[C@H](NCc1cccnc1OCC(F)F)c1cccc(N2CCOCC2)c1 ZINC000271544690 1434833637 /nfs/dbraw/zinc/83/36/37/1434833637.db2.gz RGIDIWODLJUGHU-HNNXBMFYSA-N 0 1 377.435 3.413 20 0 GGADMN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)no2)c1 ZINC000271550717 1434834079 /nfs/dbraw/zinc/83/40/79/1434834079.db2.gz PCNLYFKFIMRRCZ-LBPRGKRZSA-N 0 1 397.435 3.189 20 0 GGADMN C[C@@H](CCc1ccco1)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000271564583 1434835275 /nfs/dbraw/zinc/83/52/75/1434835275.db2.gz NRQLGUBKLICEAR-JTQLQIEISA-N 0 1 376.363 3.170 20 0 GGADMN C[C@H](CCc1ccco1)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000271564585 1434835327 /nfs/dbraw/zinc/83/53/27/1434835327.db2.gz NRQLGUBKLICEAR-SNVBAGLBSA-N 0 1 376.363 3.170 20 0 GGADMN CC[C@H](CSC)N(C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000271597651 1434838115 /nfs/dbraw/zinc/83/81/15/1434838115.db2.gz SMWUZHQDXNQHHF-CYBMUJFWSA-N 0 1 381.498 3.336 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000271609807 1434838808 /nfs/dbraw/zinc/83/88/08/1434838808.db2.gz BGSIDYVWXZRSSD-HXUWFJFHSA-N 0 1 388.533 3.089 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000271614948 1434839139 /nfs/dbraw/zinc/83/91/39/1434839139.db2.gz AJWZBIASTGICHM-GOSISDBHSA-N 0 1 383.448 3.096 20 0 GGADMN COc1cc([C@H](C)NCCS(=O)(=O)C(C)C)ccc1OCc1ccncc1 ZINC000271628375 1434840116 /nfs/dbraw/zinc/84/01/16/1434840116.db2.gz BAQRVLHWYGGWMS-INIZCTEOSA-N 0 1 392.521 3.143 20 0 GGADMN COc1cc([C@@H](C)NCCS(=O)(=O)C(C)C)ccc1OCc1ccncc1 ZINC000271628379 1434840167 /nfs/dbraw/zinc/84/01/67/1434840167.db2.gz BAQRVLHWYGGWMS-MRXNPFEDSA-N 0 1 392.521 3.143 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)CN[C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000271634541 1434840687 /nfs/dbraw/zinc/84/06/87/1434840687.db2.gz GCZWNZNDTIJDKP-HNNXBMFYSA-N 0 1 385.464 3.149 20 0 GGADMN COc1cc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc(OC)c1 ZINC000271636851 1434840860 /nfs/dbraw/zinc/84/08/60/1434840860.db2.gz ACGDXXQNLXFEQU-HNNXBMFYSA-N 0 1 397.475 3.120 20 0 GGADMN C[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000271638541 1434840901 /nfs/dbraw/zinc/84/09/01/1434840901.db2.gz AMKHEPVPWCYGTM-OAHLLOKOSA-N 0 1 397.500 3.433 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N([C@H](C)C2CC2)C2CC2)cc(OC)c1OC ZINC000271637690 1434840931 /nfs/dbraw/zinc/84/09/31/1434840931.db2.gz CCSFYHRFEPRRNA-UONOGXRCSA-N 0 1 376.497 3.153 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N([C@@H](C)C2CC2)C2CC2)cc(OC)c1OC ZINC000271637687 1434840984 /nfs/dbraw/zinc/84/09/84/1434840984.db2.gz CCSFYHRFEPRRNA-KGLIPLIRSA-N 0 1 376.497 3.153 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000271643032 1434841319 /nfs/dbraw/zinc/84/13/19/1434841319.db2.gz BGYCZQGRUHTHFM-HUUCEWRRSA-N 0 1 396.447 3.031 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000271643027 1434841411 /nfs/dbraw/zinc/84/14/11/1434841411.db2.gz BGYCZQGRUHTHFM-CABCVRRESA-N 0 1 396.447 3.031 20 0 GGADMN C[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000271645152 1434841445 /nfs/dbraw/zinc/84/14/45/1434841445.db2.gz DGKGBVCJBFMWGR-RYUDHWBXSA-N 0 1 377.391 3.065 20 0 GGADMN COc1cc(NC(=O)CN[C@@H](CCO)c2ccccc2)c(OC)cc1Cl ZINC000271645325 1434841505 /nfs/dbraw/zinc/84/15/05/1434841505.db2.gz IBIGMAYDWHUHTE-HNNXBMFYSA-N 0 1 378.856 3.009 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000271657257 1434842512 /nfs/dbraw/zinc/84/25/12/1434842512.db2.gz GAYHKUFQUJTXDS-HUUCEWRRSA-N 0 1 399.491 3.190 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000271669459 1434843003 /nfs/dbraw/zinc/84/30/03/1434843003.db2.gz MUXLGFXTXOCPSC-AWEZNQCLSA-N 0 1 389.883 3.096 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1csc([C@H]2CCCO2)n1 ZINC000271674432 1434843377 /nfs/dbraw/zinc/84/33/77/1434843377.db2.gz BLIYLVQPPJKYQY-GOSISDBHSA-N 0 1 387.505 3.204 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1nccn1C)c1ccccc1Cl ZINC000271674072 1434843380 /nfs/dbraw/zinc/84/33/80/1434843380.db2.gz HBSXNMJZOILGSM-KRWDZBQOSA-N 0 1 377.920 3.298 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000271686078 1434844122 /nfs/dbraw/zinc/84/41/22/1434844122.db2.gz CZHZUTUOFDARSB-RDTXWAMCSA-N 0 1 397.475 3.484 20 0 GGADMN C[NH+](C)C1CCN(c2ccc([N-]S(=O)(=O)c3cncc(Cl)c3)cc2)CC1 ZINC000271685486 1434844199 /nfs/dbraw/zinc/84/41/99/1434844199.db2.gz KQKZHJITTXWPES-UHFFFAOYSA-N 0 1 394.928 3.066 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000271702838 1434845008 /nfs/dbraw/zinc/84/50/08/1434845008.db2.gz SXURMNSWRSEPMD-KRWDZBQOSA-N 0 1 395.503 3.223 20 0 GGADMN COc1ccc([C@@H](C)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000271702843 1434845059 /nfs/dbraw/zinc/84/50/59/1434845059.db2.gz SXURMNSWRSEPMD-QGZVFWFLSA-N 0 1 395.503 3.223 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(C(C)=O)c3)ccc2NC1=O ZINC000271705877 1434845143 /nfs/dbraw/zinc/84/51/43/1434845143.db2.gz IPALTCCWWDRNKZ-BFUOFWGJSA-N 0 1 395.459 3.288 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3cccc(C(C)=O)c3)ccc2NC1=O ZINC000271705882 1434845259 /nfs/dbraw/zinc/84/52/59/1434845259.db2.gz IPALTCCWWDRNKZ-ORAYPTAESA-N 0 1 395.459 3.288 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc([S@](C)=O)cc1 ZINC000271708029 1434845366 /nfs/dbraw/zinc/84/53/66/1434845366.db2.gz ADDRMEGVXWSAHV-UYTXZPTKSA-N 0 1 376.497 3.480 20 0 GGADMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000271707980 1434845378 /nfs/dbraw/zinc/84/53/78/1434845378.db2.gz AAWBICRSKFGLBH-MDNHHPLHSA-N 0 1 390.505 3.119 20 0 GGADMN Cc1noc(Cl)c1CCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000271706799 1434845409 /nfs/dbraw/zinc/84/54/09/1434845409.db2.gz IKRWCIJTQQDTMS-UHFFFAOYSA-N 0 1 377.872 3.164 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000271718002 1434845962 /nfs/dbraw/zinc/84/59/62/1434845962.db2.gz KWPNBVOIHSLWQI-GLQYFDAESA-N 0 1 377.876 3.472 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000271718006 1434845983 /nfs/dbraw/zinc/84/59/83/1434845983.db2.gz KWPNBVOIHSLWQI-NILFDRSVSA-N 0 1 377.876 3.472 20 0 GGADMN COC[C@@H](NCCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000271718112 1434846032 /nfs/dbraw/zinc/84/60/32/1434846032.db2.gz POYHKINHTRUGNK-QGZVFWFLSA-N 0 1 380.460 3.278 20 0 GGADMN COC[C@H](NCCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000271718107 1434846107 /nfs/dbraw/zinc/84/61/07/1434846107.db2.gz POYHKINHTRUGNK-KRWDZBQOSA-N 0 1 380.460 3.278 20 0 GGADMN O=C(CCc1nnc(C2CCCC2)o1)Nc1ccccc1CN1CCC(O)CC1 ZINC000271721666 1434846220 /nfs/dbraw/zinc/84/62/20/1434846220.db2.gz LBKJROIPBKXRJZ-UHFFFAOYSA-N 0 1 398.507 3.255 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC(C)(OC)CC2)N2CCCCC2)cc1 ZINC000271722016 1434846300 /nfs/dbraw/zinc/84/63/00/1434846300.db2.gz QGTQZEQVQXQYFE-HXUWFJFHSA-N 0 1 389.540 3.433 20 0 GGADMN CCOc1c(Cl)cc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000271727457 1434846487 /nfs/dbraw/zinc/84/64/87/1434846487.db2.gz BOKYGIHVUCNNFH-LBPRGKRZSA-N 0 1 398.912 3.246 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000271727533 1434846521 /nfs/dbraw/zinc/84/65/21/1434846521.db2.gz XXWSYWJBDTUDOC-INIZCTEOSA-N 0 1 383.492 3.467 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc(OC)c2)c1 ZINC000271727539 1434846530 /nfs/dbraw/zinc/84/65/30/1434846530.db2.gz XXWSYWJBDTUDOC-MRXNPFEDSA-N 0 1 383.492 3.467 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3ccc(OC)cc3)ccc2NC1=O ZINC000271728974 1434846702 /nfs/dbraw/zinc/84/67/02/1434846702.db2.gz NBFPTLPZCKELEC-SCLBCKFNSA-N 0 1 383.448 3.094 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NCc2ccc(NC(=O)OC)cc2)c1 ZINC000271735272 1434846966 /nfs/dbraw/zinc/84/69/66/1434846966.db2.gz ZKOSROJPXSYLQJ-HNNXBMFYSA-N 0 1 385.464 3.231 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC ZINC000271737081 1434846993 /nfs/dbraw/zinc/84/69/93/1434846993.db2.gz HWSHEKWZLABEKA-NSHDSACASA-N 0 1 379.844 3.050 20 0 GGADMN COc1cc([C@@H](C)NC[C@H]2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC ZINC000271740175 1434847215 /nfs/dbraw/zinc/84/72/15/1434847215.db2.gz IJQHTGAIRNWTIT-PBHICJAKSA-N 0 1 386.448 3.388 20 0 GGADMN COc1cc(F)c([C@H](C)NC[C@@H](O)COc2ccc(C(C)=O)cc2)cc1OC ZINC000271741875 1434847450 /nfs/dbraw/zinc/84/74/50/1434847450.db2.gz CKHUCAOBYHGZAF-XJKSGUPXSA-N 0 1 391.439 3.136 20 0 GGADMN C[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271746042 1434847588 /nfs/dbraw/zinc/84/75/88/1434847588.db2.gz GLFULPJRPAYVLH-GFCCVEGCSA-N 0 1 388.411 3.126 20 0 GGADMN CC[C@H](C)C(=O)Nc1cccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271746169 1434847617 /nfs/dbraw/zinc/84/76/17/1434847617.db2.gz QYXSVURNSBIALS-LSDHHAIUSA-N 0 1 389.521 3.169 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCc2cccc(Cl)c2)cc(OC)c1OC ZINC000271745014 1434847624 /nfs/dbraw/zinc/84/76/24/1434847624.db2.gz JIEDQQQIYOYGPD-ZDUSSCGKSA-N 0 1 392.883 3.333 20 0 GGADMN COc1ccc(CN(C(=O)CN[C@H](CCCO)c2ccccc2)C2CC2)cc1 ZINC000271753149 1434848102 /nfs/dbraw/zinc/84/81/02/1434848102.db2.gz GIZWLVRYRNOKMO-JOCHJYFZSA-N 0 1 382.504 3.290 20 0 GGADMN CN(Cc1nccn1C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271753024 1434848132 /nfs/dbraw/zinc/84/81/32/1434848132.db2.gz GFLVIMKPGNTSFF-RDTXWAMCSA-N 0 1 393.894 3.047 20 0 GGADMN C[C@H](NCC(=O)N1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271756611 1434848196 /nfs/dbraw/zinc/84/81/96/1434848196.db2.gz LTQKIRJNVIDCAS-INIZCTEOSA-N 0 1 383.467 3.280 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1c[nH]c(-c2ccccc2)n1 ZINC000271756001 1434848322 /nfs/dbraw/zinc/84/83/22/1434848322.db2.gz NYVBPJYZAPSWDU-UHFFFAOYSA-N 0 1 376.460 3.286 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1cccc(N2CCOC2=O)c1 ZINC000271761034 1434848555 /nfs/dbraw/zinc/84/85/55/1434848555.db2.gz CWWMHJBVIPHFOU-OAHLLOKOSA-N 0 1 379.460 3.421 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n[nH]1 ZINC000271763642 1434848730 /nfs/dbraw/zinc/84/87/30/1434848730.db2.gz BDIGJNGZQVKOBR-ZETCQYMHSA-N 0 1 376.310 3.061 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000271771170 1434849330 /nfs/dbraw/zinc/84/93/30/1434849330.db2.gz FJFKLINMNRLWJV-CTEWYNRFSA-N 0 1 386.517 3.103 20 0 GGADMN COc1cc(CNC(=O)CN[C@H](C)c2ccc(F)c(C)c2)cc(OC)c1OC ZINC000271774054 1434849469 /nfs/dbraw/zinc/84/94/69/1434849469.db2.gz JNKCTPAHNOVMAT-CQSZACIVSA-N 0 1 390.455 3.127 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cc(C)ccc3OC)ccc2NC1=O ZINC000271773249 1434849518 /nfs/dbraw/zinc/84/95/18/1434849518.db2.gz XWYXVAKUFGGRNJ-RDTXWAMCSA-N 0 1 397.475 3.402 20 0 GGADMN Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1 ZINC000271775825 1434849728 /nfs/dbraw/zinc/84/97/28/1434849728.db2.gz RHEFYGMYQPTLNP-UHFFFAOYSA-N 0 1 390.487 3.390 20 0 GGADMN COC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271779880 1434849828 /nfs/dbraw/zinc/84/98/28/1434849828.db2.gz OZUBLGMEKKBBLI-AWEZNQCLSA-N 0 1 395.459 3.111 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000271781244 1434850089 /nfs/dbraw/zinc/85/00/89/1434850089.db2.gz GTOAITCDCVNBEG-FLDNJWGVSA-N 0 1 376.497 3.261 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271780655 1434850097 /nfs/dbraw/zinc/85/00/97/1434850097.db2.gz HPVWTGPXLMIQTH-OAHLLOKOSA-N 0 1 383.448 3.331 20 0 GGADMN C[C@@H](N[C@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000271782911 1434850278 /nfs/dbraw/zinc/85/02/78/1434850278.db2.gz PHNAKZTXBAZRCC-GHMZBOCLSA-N 0 1 390.390 3.135 20 0 GGADMN CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271785305 1434850421 /nfs/dbraw/zinc/85/04/21/1434850421.db2.gz ISNKLRNKRLJUSP-AWEZNQCLSA-N 0 1 381.432 3.135 20 0 GGADMN C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc2c(c1)CC(=O)N2C ZINC000271785733 1434850467 /nfs/dbraw/zinc/85/04/67/1434850467.db2.gz GXJAHZLAGLQTAL-CYBMUJFWSA-N 0 1 394.500 3.129 20 0 GGADMN COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)o1 ZINC000271789386 1434850758 /nfs/dbraw/zinc/85/07/58/1434850758.db2.gz QJNJARFVIDJSEB-UONOGXRCSA-N 0 1 386.448 3.135 20 0 GGADMN C[C@@H](NCC(=O)NCCCSc1ccccc1)c1ccc2c(c1)CC(=O)N2C ZINC000271790315 1434850854 /nfs/dbraw/zinc/85/08/54/1434850854.db2.gz HSODIAOUKSDEMR-MRXNPFEDSA-N 0 1 397.544 3.155 20 0 GGADMN COC1(C)CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000271796463 1434851174 /nfs/dbraw/zinc/85/11/74/1434851174.db2.gz VRXXUYFBUOVYJH-SFHVURJKSA-N 0 1 388.508 3.012 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)N2CCC(C(=O)NCCC(C)C)CC2)ccc1F ZINC000271798487 1434851334 /nfs/dbraw/zinc/85/13/34/1434851334.db2.gz OXJGXGXMVKEPQB-QGZVFWFLSA-N 0 1 391.531 3.186 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000271801508 1434851502 /nfs/dbraw/zinc/85/15/02/1434851502.db2.gz MOIQNEBMWDHYCY-OAHLLOKOSA-N 0 1 397.475 3.120 20 0 GGADMN C[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271804066 1434851786 /nfs/dbraw/zinc/85/17/86/1434851786.db2.gz KSHPNUXPFJZQQZ-ZIAGYGMSSA-N 0 1 385.895 3.387 20 0 GGADMN C[C@H](NCC(=O)N1CCSc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000271805949 1434851939 /nfs/dbraw/zinc/85/19/39/1434851939.db2.gz NLDICJWZEZBOHK-HNNXBMFYSA-N 0 1 397.500 3.433 20 0 GGADMN COc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271807414 1434851943 /nfs/dbraw/zinc/85/19/43/1434851943.db2.gz NTCNWAXVWJCPBU-JKSUJKDBSA-N 0 1 397.475 3.007 20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271807407 1434851950 /nfs/dbraw/zinc/85/19/50/1434851950.db2.gz NTCNWAXVWJCPBU-HOTGVXAUSA-N 0 1 397.475 3.007 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271809364 1434852049 /nfs/dbraw/zinc/85/20/49/1434852049.db2.gz OAGFDIDYORMFCQ-JKSUJKDBSA-N 0 1 397.475 3.180 20 0 GGADMN COc1ccc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C(F)(F)F)c1 ZINC000271812195 1434852294 /nfs/dbraw/zinc/85/22/94/1434852294.db2.gz YTNXZJHGZWMOGD-NSHDSACASA-N 0 1 388.411 3.212 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271823065 1434852758 /nfs/dbraw/zinc/85/27/58/1434852758.db2.gz NGWDTZULFKXIDR-ASHKIFAZSA-N 0 1 391.537 3.040 20 0 GGADMN CCN(C(=O)CN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1 ZINC000271829404 1434853216 /nfs/dbraw/zinc/85/32/16/1434853216.db2.gz WSMRGSUJBXKTHG-QGZVFWFLSA-N 0 1 395.503 3.048 20 0 GGADMN CC1(C)[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)[C@@H]2CCCO[C@H]21 ZINC000271828781 1434853272 /nfs/dbraw/zinc/85/32/72/1434853272.db2.gz DOQIQNUSFVNBLD-QXAKKESOSA-N 0 1 385.533 3.366 20 0 GGADMN CC(C)Oc1ccc(CCNC(=O)CN[C@H](CCCO)c2ccccc2)cc1 ZINC000271831583 1434853430 /nfs/dbraw/zinc/85/34/30/1434853430.db2.gz UPEOTCNSVKJVJR-JOCHJYFZSA-N 0 1 384.520 3.236 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N(C)Cc2ccccc2C)cc(OC)c1OC ZINC000271837837 1434853994 /nfs/dbraw/zinc/85/39/94/1434853994.db2.gz YBBLYTVGCFIZMX-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN COC(=O)C1CCN(C(=O)CN[C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000271841429 1434854172 /nfs/dbraw/zinc/85/41/72/1434854172.db2.gz ZIRDKQWMKTVIDJ-HXUWFJFHSA-N 0 1 376.472 3.058 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000271843143 1434854318 /nfs/dbraw/zinc/85/43/18/1434854318.db2.gz WHKIHOHTUYWXGK-SFHVURJKSA-N 0 1 396.409 3.305 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000271844644 1434854350 /nfs/dbraw/zinc/85/43/50/1434854350.db2.gz YYKBKMXUVDGJEL-HNNXBMFYSA-N 0 1 399.491 3.051 20 0 GGADMN O=C(CN[C@H](CCCO)c1ccccc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000271843142 1434854391 /nfs/dbraw/zinc/85/43/91/1434854391.db2.gz WHKIHOHTUYWXGK-GOSISDBHSA-N 0 1 396.409 3.305 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271844089 1434854398 /nfs/dbraw/zinc/85/43/98/1434854398.db2.gz QBKYJEAAVNTLRO-INIZCTEOSA-N 0 1 392.503 3.095 20 0 GGADMN CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000271852579 1434854871 /nfs/dbraw/zinc/85/48/71/1434854871.db2.gz XAEXPQMFBQOJCI-AWEZNQCLSA-N 0 1 381.432 3.135 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271855593 1434855038 /nfs/dbraw/zinc/85/50/38/1434855038.db2.gz XUCIETWCRHTIHP-CVEARBPZSA-N 0 1 397.475 3.180 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271855599 1434855041 /nfs/dbraw/zinc/85/50/41/1434855041.db2.gz XUCIETWCRHTIHP-JKSUJKDBSA-N 0 1 397.475 3.180 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000271860336 1434855379 /nfs/dbraw/zinc/85/53/79/1434855379.db2.gz YJTKRHVHFVPGOE-VXKZXEGRSA-N 0 1 390.505 3.119 20 0 GGADMN C[C@@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)CC(=O)N2C ZINC000271866751 1434855708 /nfs/dbraw/zinc/85/57/08/1434855708.db2.gz VDFGXMKDGVSYAH-LLVKDONJSA-N 0 1 398.463 3.244 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271870667 1434855991 /nfs/dbraw/zinc/85/59/91/1434855991.db2.gz WGEJKRTYADKDLF-KRWDZBQOSA-N 0 1 379.504 3.293 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271870669 1434855995 /nfs/dbraw/zinc/85/59/95/1434855995.db2.gz WGEJKRTYADKDLF-QGZVFWFLSA-N 0 1 379.504 3.293 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271876348 1434856564 /nfs/dbraw/zinc/85/65/64/1434856564.db2.gz XSUSZIVFRQZUBW-LSDHHAIUSA-N 0 1 383.467 3.215 20 0 GGADMN CC(C)(C)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCO1 ZINC000271880171 1434856717 /nfs/dbraw/zinc/85/67/17/1434856717.db2.gz SMPXYXPIZOOCDD-FZMZJTMJSA-N 0 1 394.422 3.149 20 0 GGADMN O=C(NCCC1Cc2ccccc2C1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000271878764 1434856813 /nfs/dbraw/zinc/85/68/13/1434856813.db2.gz SEHAHVVKYTYWMQ-UHFFFAOYSA-N 0 1 398.413 3.360 20 0 GGADMN CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCO1 ZINC000271880170 1434856823 /nfs/dbraw/zinc/85/68/23/1434856823.db2.gz SMPXYXPIZOOCDD-BXUZGUMPSA-N 0 1 394.422 3.149 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCCN(Cc3cccc4nccn43)CC2)cs1 ZINC000271888980 1434857320 /nfs/dbraw/zinc/85/73/20/1434857320.db2.gz WUAWSXKAKBNHRQ-INIZCTEOSA-N 0 1 385.537 3.206 20 0 GGADMN C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)CCO1 ZINC000271905555 1434858424 /nfs/dbraw/zinc/85/84/24/1434858424.db2.gz RBTSZAXZNCXPDA-KBPBESRZSA-N 0 1 385.430 3.211 20 0 GGADMN COc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)nc1 ZINC000271972078 1434862761 /nfs/dbraw/zinc/86/27/61/1434862761.db2.gz NDSVIJSNLYYVIR-UHFFFAOYSA-N 0 1 375.856 3.300 20 0 GGADMN O=C(c1coc(-c2ccccc2Cl)n1)N1CCN(CC2CCOCC2)CC1 ZINC000271990232 1434864089 /nfs/dbraw/zinc/86/40/89/1434864089.db2.gz QATJWAYEEPAVDP-UHFFFAOYSA-N 0 1 389.883 3.179 20 0 GGADMN CC(C)C[C@@H]1C[C@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCO1 ZINC000272007873 1434865409 /nfs/dbraw/zinc/86/54/09/1434865409.db2.gz VLARPZDIVXEZPW-IOMROCGXSA-N 0 1 388.556 3.500 20 0 GGADMN CC(C)C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCO1 ZINC000272007874 1434865424 /nfs/dbraw/zinc/86/54/24/1434865424.db2.gz VLARPZDIVXEZPW-JRGCBEDISA-N 0 1 388.556 3.500 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000272018435 1434866268 /nfs/dbraw/zinc/86/62/68/1434866268.db2.gz KXJJQNKWGHTIQZ-QFIPXVFZSA-N 0 1 398.459 3.154 20 0 GGADMN COCCOc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccn1 ZINC000272018998 1434866494 /nfs/dbraw/zinc/86/64/94/1434866494.db2.gz HKRXZLHDNDUCAM-QGZVFWFLSA-N 0 1 382.420 3.087 20 0 GGADMN C[C@@H]1C[C@H](C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCO1 ZINC000272021822 1434866772 /nfs/dbraw/zinc/86/67/72/1434866772.db2.gz VTOSFMWIBJOEGN-UYAOXDASSA-N 0 1 394.519 3.157 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CC2)n[nH]1 ZINC000272057863 1434869414 /nfs/dbraw/zinc/86/94/14/1434869414.db2.gz FZURDCDPURTYLP-UHFFFAOYSA-N 0 1 390.487 3.397 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@@H]1CCCOc2cc3c(cc21)CCC3)C(F)(F)F ZINC000272063330 1434869645 /nfs/dbraw/zinc/86/96/45/1434869645.db2.gz IWISCEROFRRYDO-VQIMIIECSA-N 0 1 395.425 3.162 20 0 GGADMN NC(=O)c1csc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272064727 1434869833 /nfs/dbraw/zinc/86/98/33/1434869833.db2.gz BCUIBNZPMHDSOR-ZDUSSCGKSA-N 0 1 387.509 3.033 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272064599 1434869893 /nfs/dbraw/zinc/86/98/93/1434869893.db2.gz BAKGGJGZMZEIES-HNNXBMFYSA-N 0 1 393.513 3.026 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)CC2)n[nH]1 ZINC000272075540 1434870563 /nfs/dbraw/zinc/87/05/63/1434870563.db2.gz IOUSGGXUDVYCQU-UHFFFAOYSA-N 0 1 393.491 3.496 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000272080737 1434870765 /nfs/dbraw/zinc/87/07/65/1434870765.db2.gz KQHODDSAFCRBLQ-BONVTDFDSA-N 0 1 379.329 3.122 20 0 GGADMN Cc1ccc(F)cc1CNCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000272110263 1434872754 /nfs/dbraw/zinc/87/27/54/1434872754.db2.gz JBBYCZOBBXRJNW-HXUWFJFHSA-N 0 1 386.467 3.098 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)C1(C)COC(C)(C)OC1 ZINC000272121661 1434873472 /nfs/dbraw/zinc/87/34/72/1434873472.db2.gz PZZWQUWJAVSEGL-UHFFFAOYSA-N 0 1 378.538 3.272 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@H]1CC2(CCC2)Oc2ccccc21)C(F)(F)F ZINC000272130057 1434873825 /nfs/dbraw/zinc/87/38/25/1434873825.db2.gz RNQXQKJHRYBQCJ-KSSFIOAISA-N 0 1 381.398 3.206 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@@H]1CC2(CCC2)Oc2ccccc21)C(F)(F)F ZINC000272130059 1434873837 /nfs/dbraw/zinc/87/38/37/1434873837.db2.gz RNQXQKJHRYBQCJ-RDTXWAMCSA-N 0 1 381.398 3.206 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000272138578 1434874376 /nfs/dbraw/zinc/87/43/76/1434874376.db2.gz SPVMJHRPXNBBAG-HZMBPMFUSA-N 0 1 397.319 3.419 20 0 GGADMN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000272148156 1434874868 /nfs/dbraw/zinc/87/48/68/1434874868.db2.gz UJGQZAHXHHUBDW-MEBBXXQBSA-N 0 1 379.329 3.122 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000272187481 1434876896 /nfs/dbraw/zinc/87/68/96/1434876896.db2.gz KGJZDXHULCLENG-LLVKDONJSA-N 0 1 392.385 3.385 20 0 GGADMN O=C(CSc1nncs1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272191750 1434877148 /nfs/dbraw/zinc/87/71/48/1434877148.db2.gz FVSYAZYMDOTSRG-CYBMUJFWSA-N 0 1 392.554 3.202 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000272206476 1434878019 /nfs/dbraw/zinc/87/80/19/1434878019.db2.gz DSRWTTJMDHNNJU-ZBFHGGJFSA-N 0 1 384.480 3.452 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000272217321 1434878744 /nfs/dbraw/zinc/87/87/44/1434878744.db2.gz BHSTYEZPMOFGJD-GOEBONIOSA-N 0 1 384.480 3.452 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000272217319 1434878747 /nfs/dbraw/zinc/87/87/47/1434878747.db2.gz BHSTYEZPMOFGJD-GDBMZVCRSA-N 0 1 384.480 3.452 20 0 GGADMN COc1ncncc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272222544 1434879005 /nfs/dbraw/zinc/87/90/05/1434879005.db2.gz KUQLZHOGPPMDGA-CQSZACIVSA-N 0 1 385.472 3.063 20 0 GGADMN COc1ncncc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272222542 1434879072 /nfs/dbraw/zinc/87/90/72/1434879072.db2.gz KUQLZHOGPPMDGA-AWEZNQCLSA-N 0 1 385.472 3.063 20 0 GGADMN COC(=O)[C@H](c1cccnc1)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272224194 1434879237 /nfs/dbraw/zinc/87/92/37/1434879237.db2.gz LDKQGTSQEBTYTG-MSOLQXFVSA-N 0 1 383.496 3.341 20 0 GGADMN COC(=O)[C@H](c1cccnc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272224194 1434879239 /nfs/dbraw/zinc/87/92/39/1434879239.db2.gz LDKQGTSQEBTYTG-MSOLQXFVSA-N 0 1 383.496 3.341 20 0 GGADMN CN(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cn1 ZINC000272230615 1434879893 /nfs/dbraw/zinc/87/98/93/1434879893.db2.gz MBRCAKNLJHYUOF-KRWDZBQOSA-N 0 1 382.512 3.333 20 0 GGADMN CSCc1nc2ccccc2n1CC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272230589 1434879940 /nfs/dbraw/zinc/87/99/40/1434879940.db2.gz MADACVPMSGLNGK-UHFFFAOYSA-N 0 1 383.521 3.337 20 0 GGADMN Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272232044 1434880095 /nfs/dbraw/zinc/88/00/95/1434880095.db2.gz MCQTVRCLRWLZNI-KRWDZBQOSA-N 0 1 384.528 3.151 20 0 GGADMN Cc1nnc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)cn12 ZINC000272233576 1434880185 /nfs/dbraw/zinc/88/01/85/1434880185.db2.gz MKEUQPBTGJXXQP-INIZCTEOSA-N 0 1 393.495 3.223 20 0 GGADMN CC[C@H](C)[C@@H](O)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272237898 1434880566 /nfs/dbraw/zinc/88/05/66/1434880566.db2.gz AEVTUKFNMCWODL-PNHOKKKMSA-N 0 1 379.497 3.315 20 0 GGADMN CC[C@H](C)[C@H](O)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272237901 1434880577 /nfs/dbraw/zinc/88/05/77/1434880577.db2.gz AEVTUKFNMCWODL-VHKYSDTDSA-N 0 1 379.497 3.315 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)n1 ZINC000272245422 1434881144 /nfs/dbraw/zinc/88/11/44/1434881144.db2.gz BGEWLUXEANDCMN-UHFFFAOYSA-N 0 1 382.493 3.102 20 0 GGADMN COCC[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(C)o1 ZINC000272254698 1434881998 /nfs/dbraw/zinc/88/19/98/1434881998.db2.gz ZBTORIKYFAASCB-IBGZPJMESA-N 0 1 386.496 3.024 20 0 GGADMN NC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272260732 1434882381 /nfs/dbraw/zinc/88/23/81/1434882381.db2.gz QKJKPMPQZIRVFZ-MRXNPFEDSA-N 0 1 396.495 3.363 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)[C@@H]2C1 ZINC000272262606 1434882445 /nfs/dbraw/zinc/88/24/45/1434882445.db2.gz ASKCSPLSGNGLQE-YLJYHZDGSA-N 0 1 387.487 3.101 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000272278831 1434883808 /nfs/dbraw/zinc/88/38/08/1434883808.db2.gz BJRQEDAMGLBKJY-UHFFFAOYSA-N 0 1 398.435 3.083 20 0 GGADMN CCOc1ccccc1C(=O)NCCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272288285 1434884422 /nfs/dbraw/zinc/88/44/22/1434884422.db2.gz CUQMALOMIMKGRS-UHFFFAOYSA-N 0 1 380.395 3.203 20 0 GGADMN O=C1[C@H]2CCCCN2C(=O)N1[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272356410 1434889961 /nfs/dbraw/zinc/88/99/61/1434889961.db2.gz GEDQCZVSKPFAKR-JKSUJKDBSA-N 0 1 381.398 3.096 20 0 GGADMN CC1(C)[C@H](O)C[C@@H]1N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272372788 1434891185 /nfs/dbraw/zinc/89/11/85/1434891185.db2.gz SDYIXAHUJSXMBS-OTWHNJEPSA-N 0 1 377.481 3.068 20 0 GGADMN CC(C)c1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nn1-c1ccccc1Cl ZINC000272374659 1434891439 /nfs/dbraw/zinc/89/14/39/1434891439.db2.gz BBDSQAMPAKFOII-WMLDXEAASA-N 0 1 387.915 3.210 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000272378581 1434891923 /nfs/dbraw/zinc/89/19/23/1434891923.db2.gz BPHUNQRKNWDCEM-JYJNAYRXSA-N 0 1 395.569 3.030 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000272378577 1434891982 /nfs/dbraw/zinc/89/19/82/1434891982.db2.gz BPHUNQRKNWDCEM-HRCADAONSA-N 0 1 395.569 3.030 20 0 GGADMN Cn1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000272389334 1434893025 /nfs/dbraw/zinc/89/30/25/1434893025.db2.gz UORHOPHAMKSQQM-MRXNPFEDSA-N 0 1 391.479 3.494 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(CC)CCOCC2)CC1 ZINC000272402428 1434894161 /nfs/dbraw/zinc/89/41/61/1434894161.db2.gz KJKFIOHHQCFYRV-QGZVFWFLSA-N 0 1 391.531 3.352 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000272425484 1434895450 /nfs/dbraw/zinc/89/54/50/1434895450.db2.gz HAQCLNCJDXSYPC-IEZWGBDMSA-N 0 1 387.524 3.241 20 0 GGADMN CCN(CCN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000272448064 1434897024 /nfs/dbraw/zinc/89/70/24/1434897024.db2.gz PHUGFBPXSYKUSZ-NRFANRHFSA-N 0 1 390.524 3.393 20 0 GGADMN CCN(CCN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000272448067 1434897074 /nfs/dbraw/zinc/89/70/74/1434897074.db2.gz PHUGFBPXSYKUSZ-OAQYLSRUSA-N 0 1 390.524 3.393 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000272459050 1434897707 /nfs/dbraw/zinc/89/77/07/1434897707.db2.gz OBXOWDUDWMLEGE-UHFFFAOYSA-N 0 1 387.412 3.389 20 0 GGADMN Cc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000272468134 1434898272 /nfs/dbraw/zinc/89/82/72/1434898272.db2.gz KZSCRRKVUVQIDH-WFASDCNBSA-N 0 1 394.306 3.049 20 0 GGADMN Cc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000272468127 1434898279 /nfs/dbraw/zinc/89/82/79/1434898279.db2.gz KZSCRRKVUVQIDH-IUODEOHRSA-N 0 1 394.306 3.049 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC000272474123 1434898877 /nfs/dbraw/zinc/89/88/77/1434898877.db2.gz QSAKDHNGYKQKST-UHFFFAOYSA-N 0 1 386.428 3.063 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@H](COc2ccccc2)C1 ZINC000272473801 1434898918 /nfs/dbraw/zinc/89/89/18/1434898918.db2.gz XOTLCUYYCMLWNO-IBGZPJMESA-N 0 1 394.519 3.157 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000272485365 1434899570 /nfs/dbraw/zinc/89/95/70/1434899570.db2.gz MPEKGIMJZIKDAT-XYJFISCASA-N 0 1 375.513 3.099 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000272487826 1434899715 /nfs/dbraw/zinc/89/97/15/1434899715.db2.gz SSXZDAXHOTZIFI-UHFFFAOYSA-N 0 1 376.285 3.043 20 0 GGADMN C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272500763 1434901166 /nfs/dbraw/zinc/90/11/66/1434901166.db2.gz NWPIJBGAYBDSEB-SQWLQELKSA-N 0 1 387.484 3.428 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000272519841 1434903589 /nfs/dbraw/zinc/90/35/89/1434903589.db2.gz ZEKBRYFSNNHMRC-GOSISDBHSA-N 0 1 396.369 3.345 20 0 GGADMN C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000272525777 1434904226 /nfs/dbraw/zinc/90/42/26/1434904226.db2.gz HXXICJXXHMARJL-XYJFISCASA-N 0 1 385.533 3.404 20 0 GGADMN C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000272525767 1434904267 /nfs/dbraw/zinc/90/42/67/1434904267.db2.gz HXXICJXXHMARJL-BQFCYCMXSA-N 0 1 385.533 3.404 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)[C@@H]2C1 ZINC000272550131 1434906646 /nfs/dbraw/zinc/90/66/46/1434906646.db2.gz CYBQBNSMHVSIBI-DOTOQJQBSA-N 0 1 393.516 3.162 20 0 GGADMN COCC[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C)o1 ZINC000272552181 1434906911 /nfs/dbraw/zinc/90/69/11/1434906911.db2.gz FIIMKTZVDWJYIU-HZPDHXFCSA-N 0 1 387.484 3.250 20 0 GGADMN COCC[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C)o1 ZINC000272552183 1434907164 /nfs/dbraw/zinc/90/71/64/1434907164.db2.gz FIIMKTZVDWJYIU-JKSUJKDBSA-N 0 1 387.484 3.250 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1F)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272559359 1434907531 /nfs/dbraw/zinc/90/75/31/1434907531.db2.gz UBUICSKZWHICHA-UXLLHSPISA-N 0 1 393.503 3.066 20 0 GGADMN C[C@H](NCC(=O)NCC1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000272579170 1434910417 /nfs/dbraw/zinc/91/04/17/1434910417.db2.gz GOLUKVWIIDZQHI-INIZCTEOSA-N 0 1 378.476 3.090 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272592162 1434911879 /nfs/dbraw/zinc/91/18/79/1434911879.db2.gz XKKQVTNEEICIMZ-HKUYNNGSSA-N 0 1 399.564 3.035 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272609084 1434914240 /nfs/dbraw/zinc/91/42/40/1434914240.db2.gz VXEDISHHNBMOFK-IAOVAPTHSA-N 0 1 382.526 3.110 20 0 GGADMN COC[C@@H](CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)OC ZINC000272615769 1434915461 /nfs/dbraw/zinc/91/54/61/1434915461.db2.gz ILICLMNEBJCZRM-VQIMIIECSA-N 0 1 392.883 3.279 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@@H]2C1 ZINC000272631601 1434917454 /nfs/dbraw/zinc/91/74/54/1434917454.db2.gz NIAOVKCHQLFDBH-SWLSCSKDSA-N 0 1 392.912 3.035 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000272643773 1434918830 /nfs/dbraw/zinc/91/88/30/1434918830.db2.gz YKYBIQODOAOWRU-BLLLJJGKSA-N 0 1 378.394 3.450 20 0 GGADMN O=C(NCCc1cccc(F)c1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272657533 1434920261 /nfs/dbraw/zinc/92/02/61/1434920261.db2.gz MDRJYWKGVFXSTH-CQSZACIVSA-N 0 1 375.423 3.092 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C[C@H]3CCO[C@@H](C(C)C)C3)n2)c(OC)c1 ZINC000272701592 1434923995 /nfs/dbraw/zinc/92/39/95/1434923995.db2.gz GMDWVAQGNJGWOC-XJKSGUPXSA-N 0 1 388.468 3.269 20 0 GGADMN O=C(c1ccc(OC2CCCC2)nc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272726143 1434926220 /nfs/dbraw/zinc/92/62/20/1434926220.db2.gz ABDDZZNKYIJLFE-MRXNPFEDSA-N 0 1 381.480 3.418 20 0 GGADMN CC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000272728685 1434926559 /nfs/dbraw/zinc/92/65/59/1434926559.db2.gz IBMKSMSEHUSNHD-GJZGRUSLSA-N 0 1 389.521 3.307 20 0 GGADMN COC(=O)c1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)[nH]1 ZINC000272747215 1434927574 /nfs/dbraw/zinc/92/75/74/1434927574.db2.gz MLFPZZVBBGKBTJ-UHFFFAOYSA-N 0 1 384.480 3.228 20 0 GGADMN C[C@@H]1COc2ccccc2CN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000272769236 1434929734 /nfs/dbraw/zinc/92/97/34/1434929734.db2.gz ARXLBILOLCJJNL-QGZVFWFLSA-N 0 1 380.492 3.039 20 0 GGADMN COC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1F ZINC000272782475 1434930705 /nfs/dbraw/zinc/93/07/05/1434930705.db2.gz ACHDXTZRXJOUPB-OAHLLOKOSA-N 0 1 380.445 3.490 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)n[nH]1 ZINC000272813244 1434933029 /nfs/dbraw/zinc/93/30/29/1434933029.db2.gz DLPACDBBRSFYMV-UHFFFAOYSA-N 0 1 386.477 3.250 20 0 GGADMN O=C(NCC[C@@H]1CCCCO1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000272827782 1434934292 /nfs/dbraw/zinc/93/42/92/1434934292.db2.gz PMNDQFQULIDBKL-SFHVURJKSA-N 0 1 383.496 3.320 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cn1 ZINC000272831886 1434934539 /nfs/dbraw/zinc/93/45/39/1434934539.db2.gz FOXAERDIJUQNNI-MRXNPFEDSA-N 0 1 397.479 3.054 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000272883447 1434938502 /nfs/dbraw/zinc/93/85/02/1434938502.db2.gz CROWXKQLCATAIX-HAWMADMCSA-N 0 1 390.574 3.455 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2c(F)cccc2Cl)CC1 ZINC000272892296 1434939164 /nfs/dbraw/zinc/93/91/64/1434939164.db2.gz SVMWUMILQMKPBP-CYBMUJFWSA-N 0 1 384.879 3.149 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(c3cc(C)[nH]n3)CC2)cc1F ZINC000272891657 1434939223 /nfs/dbraw/zinc/93/92/23/1434939223.db2.gz DVPZHUCHZCWYKS-OAHLLOKOSA-N 0 1 388.487 3.092 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(c3cc(C)n[nH]3)CC2)cc1F ZINC000272891657 1434939225 /nfs/dbraw/zinc/93/92/25/1434939225.db2.gz DVPZHUCHZCWYKS-OAHLLOKOSA-N 0 1 388.487 3.092 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000272911769 1434940442 /nfs/dbraw/zinc/94/04/42/1434940442.db2.gz HWPKFNAJWKDQHH-INIZCTEOSA-N 0 1 392.459 3.329 20 0 GGADMN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc([S@@](C)=O)cc1 ZINC000272921230 1434941256 /nfs/dbraw/zinc/94/12/56/1434941256.db2.gz IYFKXPNHQFPEQJ-GKZOTJLQSA-N 0 1 378.444 3.158 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc([S@](C)=O)cc1 ZINC000272922662 1434941412 /nfs/dbraw/zinc/94/14/12/1434941412.db2.gz IYFKXPNHQFPEQJ-LQRUBRGNSA-N 0 1 378.444 3.158 20 0 GGADMN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc([S@](C)=O)cc1 ZINC000272922660 1434941464 /nfs/dbraw/zinc/94/14/64/1434941464.db2.gz IYFKXPNHQFPEQJ-HSSRKPKSSA-N 0 1 378.444 3.158 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1C(N)=O ZINC000272925638 1434941675 /nfs/dbraw/zinc/94/16/75/1434941675.db2.gz RGWIWADBEHVLOE-UHFFFAOYSA-N 0 1 395.506 3.099 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000272940656 1434942678 /nfs/dbraw/zinc/94/26/78/1434942678.db2.gz KZURYKVQGGLSNQ-NRRJATNASA-N 0 1 394.924 3.053 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000272940658 1434942700 /nfs/dbraw/zinc/94/27/00/1434942700.db2.gz KZURYKVQGGLSNQ-SRGMZFCMSA-N 0 1 394.924 3.053 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272940660 1434942712 /nfs/dbraw/zinc/94/27/12/1434942712.db2.gz KZURYKVQGGLSNQ-WHDAMIPWSA-N 0 1 394.924 3.053 20 0 GGADMN COc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ncn1 ZINC000272948050 1434943238 /nfs/dbraw/zinc/94/32/38/1434943238.db2.gz JOBQXPMUCLPOJS-CQSZACIVSA-N 0 1 385.472 3.063 20 0 GGADMN CC(=O)c1ccc(S(C)(=O)=O)c(N2CCC[C@@H](CN3CCC(C)CC3)C2)c1 ZINC000272955777 1434943909 /nfs/dbraw/zinc/94/39/09/1434943909.db2.gz YQLQOUZUQFDUNF-SFHVURJKSA-N 0 1 392.565 3.241 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCCCCC(=O)OCc2ccccc2)n[nH]1 ZINC000272956895 1434944182 /nfs/dbraw/zinc/94/41/82/1434944182.db2.gz HBGAWMLFHUQAEM-HNNXBMFYSA-N 0 1 387.484 3.202 20 0 GGADMN Cc1cc(C2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)CC2)[nH]n1 ZINC000272965843 1434944756 /nfs/dbraw/zinc/94/47/56/1434944756.db2.gz OHAOVVFFHSHZFX-HNNXBMFYSA-N 0 1 384.480 3.086 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1C ZINC000272984195 1434946755 /nfs/dbraw/zinc/94/67/55/1434946755.db2.gz QVPKBPXSDOIWAY-YVORESIASA-N 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CN(Cc1ccccc1NC(=O)[C@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000273224383 1434973598 /nfs/dbraw/zinc/97/35/98/1434973598.db2.gz VUOAMGAVTAPNMO-LJQANCHMSA-N 0 1 378.538 3.357 20 0 GGADMN COc1cc(C)c([C@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1C ZINC000273226006 1434973744 /nfs/dbraw/zinc/97/37/44/1434973744.db2.gz WCMFNSMRTWATQA-KRWDZBQOSA-N 0 1 396.535 3.260 20 0 GGADMN C[C@H](NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1cnn(C)c1 ZINC000273245782 1434975271 /nfs/dbraw/zinc/97/52/71/1434975271.db2.gz BHQNMXXPDDKQJS-ZDUSSCGKSA-N 0 1 380.414 3.281 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccccc3-c3cn[nH]c3)cc2)CC1 ZINC000273248688 1434975520 /nfs/dbraw/zinc/97/55/20/1434975520.db2.gz KPBOFCJLUNQUTC-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000273252021 1434975918 /nfs/dbraw/zinc/97/59/18/1434975918.db2.gz HIGXRYDOTGUSLH-QAPCUYQASA-N 0 1 394.431 3.229 20 0 GGADMN Cc1cccc([C@@H]2CCN(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)C2)c1 ZINC000273286501 1434978257 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377.872 3.417 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1C ZINC000273616208 1435000117 /nfs/dbraw/zinc/00/01/17/1435000117.db2.gz NIPOIFPTKVEUHN-UHFFFAOYSA-N 0 1 389.433 3.021 20 0 GGADMN CC(=O)N1CCC(CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CC1 ZINC000273631493 1435000934 /nfs/dbraw/zinc/00/09/34/1435000934.db2.gz SICCNXZNJFAJDU-UHFFFAOYSA-N 0 1 382.489 3.280 20 0 GGADMN Cn1cnnc1[C@@H]1CCCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000273638494 1435001630 /nfs/dbraw/zinc/00/16/30/1435001630.db2.gz YNMKVJNVZKVKRN-CYBMUJFWSA-N 0 1 392.488 3.440 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ncoc3-c3ccc4c(c3)OCCO4)CC2)n[nH]1 ZINC000273639288 1435001641 /nfs/dbraw/zinc/00/16/41/1435001641.db2.gz RTPQSZXHAJWFJK-UHFFFAOYSA-N 0 1 394.431 3.164 20 0 GGADMN Cc1nnc2n1C[C@@H](CNC(=O)c1cccc3nc(-c4cccs4)[nH]c31)CC2 ZINC000273643311 1435002010 /nfs/dbraw/zinc/00/20/10/1435002010.db2.gz VALKEMIIMYNHCU-CYBMUJFWSA-N 0 1 392.488 3.184 20 0 GGADMN CS(=O)(=O)Nc1cccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)c1 ZINC000273645137 1435002172 /nfs/dbraw/zinc/00/21/72/1435002172.db2.gz BVVVTDMQTAQYMX-SFHVURJKSA-N 0 1 398.488 3.445 20 0 GGADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCC2(CNC(=O)C2)CC1 ZINC000273682075 1435004913 /nfs/dbraw/zinc/00/49/13/1435004913.db2.gz KNZODAFVINJAAX-UHFFFAOYSA-N 0 1 380.473 3.034 20 0 GGADMN COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1OC(C)C ZINC000273694899 1435005893 /nfs/dbraw/zinc/00/58/93/1435005893.db2.gz KUODQNQFEFSZRT-UHFFFAOYSA-N 0 1 378.450 3.106 20 0 GGADMN CNC(=O)CC1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000273711501 1435007137 /nfs/dbraw/zinc/00/71/37/1435007137.db2.gz OMEYBHXVRDZPNY-UHFFFAOYSA-N 0 1 382.489 3.280 20 0 GGADMN NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000273759590 1435011418 /nfs/dbraw/zinc/01/14/18/1435011418.db2.gz CUZKJHRIYCTUOE-INIZCTEOSA-N 0 1 398.850 3.212 20 0 GGADMN COCCOc1cccc(-c2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)c1 ZINC000273775824 1435013153 /nfs/dbraw/zinc/01/31/53/1435013153.db2.gz 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COc1ccc(-c2cc(-c3nc([C@@H]4CC(=O)N(CC5CCC5)C4)no3)[nH]n2)cc1 ZINC000273887542 1435025535 /nfs/dbraw/zinc/02/55/35/1435025535.db2.gz JACWCMCIURANKJ-OAHLLOKOSA-N 0 1 393.447 3.251 20 0 GGADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCC(Cn2ccnn2)CC1 ZINC000273913138 1435028166 /nfs/dbraw/zinc/02/81/66/1435028166.db2.gz UEXIWTXHBSDVSH-UHFFFAOYSA-N 0 1 392.488 3.435 20 0 GGADMN CO[C@@H](c1noc(-c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1)c1ccc(F)cc1 ZINC000273932275 1435029836 /nfs/dbraw/zinc/02/98/36/1435029836.db2.gz IREKBEXIBUGFFY-QGZVFWFLSA-N 0 1 382.399 3.352 20 0 GGADMN Cc1nn(C(F)F)c(C)c1Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000274038906 1435038960 /nfs/dbraw/zinc/03/89/60/1435038960.db2.gz UIKDOWAHRUYDIO-UHFFFAOYSA-N 0 1 385.378 3.245 20 0 GGADMN CN1CCCN(c2ccc(-c3noc(C[C@](C)(O)C4CC4)n3)cc2Cl)CC1 ZINC000274071808 1435041171 /nfs/dbraw/zinc/04/11/71/1435041171.db2.gz FPCDVXDSHFATOZ-FQEVSTJZSA-N 0 1 390.915 3.235 20 0 GGADMN C[C@H](Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)NC(=O)C1CCCCC1 ZINC000274075384 1435041625 /nfs/dbraw/zinc/04/16/25/1435041625.db2.gz XEFXHLUNZKOAAE-CQSZACIVSA-N 0 1 394.479 3.073 20 0 GGADMN C[C@@H](Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)NC(=O)C1CCCCC1 ZINC000274075382 1435041679 /nfs/dbraw/zinc/04/16/79/1435041679.db2.gz XEFXHLUNZKOAAE-AWEZNQCLSA-N 0 1 394.479 3.073 20 0 GGADMN O=S(=O)(CCc1nc(-c2ccc3[nH]cnc3c2)no1)c1ccc2c(c1)CCC2 ZINC000274077470 1435041851 /nfs/dbraw/zinc/04/18/51/1435041851.db2.gz YUDFWELRSJADCL-UHFFFAOYSA-N 0 1 394.456 3.118 20 0 GGADMN COc1cc(-c2nc([C@@H]3CCCCS3)no2)cc(NS(C)(=O)=O)c1OC ZINC000274082447 1435041987 /nfs/dbraw/zinc/04/19/87/1435041987.db2.gz RLPUQCQRGHCMLT-ZDUSSCGKSA-N 0 1 399.494 3.084 20 0 GGADMN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCc1cn[nH]c1C ZINC000274091077 1435042826 /nfs/dbraw/zinc/04/28/26/1435042826.db2.gz IOTPEFDDXRBMGO-UHFFFAOYSA-N 0 1 385.468 3.065 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000274126177 1435045633 /nfs/dbraw/zinc/04/56/33/1435045633.db2.gz GVUWFAUZGGAWBE-UHFFFAOYSA-N 0 1 398.481 3.074 20 0 GGADMN Cc1nnc([C@@H](C)NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)s1 ZINC000274152641 1435047386 /nfs/dbraw/zinc/04/73/86/1435047386.db2.gz GDBKLSLROWHXFP-GFCCVEGCSA-N 0 1 397.508 3.282 20 0 GGADMN O=C(CN1CCN(CCCC2CCOCC2)CC1)Nc1ccc(Cl)cc1 ZINC000274173310 1435048533 /nfs/dbraw/zinc/04/85/33/1435048533.db2.gz CDGLFZXEGRACQX-UHFFFAOYSA-N 0 1 379.932 3.103 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3c[nH]c4ccccc4c3=O)C2)C1 ZINC000274209762 1435051467 /nfs/dbraw/zinc/05/14/67/1435051467.db2.gz IEBWUGUJUFHDOK-QFIPXVFZSA-N 0 1 397.475 3.414 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC000274236921 1435053763 /nfs/dbraw/zinc/05/37/63/1435053763.db2.gz SISMBCJXSGPHPH-DOTOQJQBSA-N 0 1 381.542 3.114 20 0 GGADMN CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000274262214 1435055751 /nfs/dbraw/zinc/05/57/51/1435055751.db2.gz KOZWXSOWJVTHHU-KGLIPLIRSA-N 0 1 394.422 3.147 20 0 GGADMN C[C@H](c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1)n1cccn1 ZINC000274261080 1435055850 /nfs/dbraw/zinc/05/58/50/1435055850.db2.gz YIJPKFBMYXHGKO-CQSZACIVSA-N 0 1 386.887 3.338 20 0 GGADMN Cc1nnc([C@H](C)N[C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)s1 ZINC000274267968 1435056393 /nfs/dbraw/zinc/05/63/93/1435056393.db2.gz WFQXLAORTOMMNJ-QEJZJMRPSA-N 0 1 384.505 3.495 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000274271506 1435056809 /nfs/dbraw/zinc/05/68/09/1435056809.db2.gz GUSBFZVRTWBOSG-OAHLLOKOSA-N 0 1 395.507 3.309 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCc2cc(C(=O)OC)sc2C)cc1 ZINC000274305487 1435059862 /nfs/dbraw/zinc/05/98/62/1435059862.db2.gz ARUSEXAQNURWMO-GFCCVEGCSA-N 0 1 377.462 3.246 20 0 GGADMN COCc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccccc1 ZINC000274311306 1435060438 /nfs/dbraw/zinc/06/04/38/1435060438.db2.gz XMFGTWLSNDBFOR-LJQANCHMSA-N 0 1 390.487 3.023 20 0 GGADMN COc1cc2c(cc1NC(=O)NC[C@H](c1ccsc1)N(C)C)NC(=O)CC2 ZINC000274318719 1435061338 /nfs/dbraw/zinc/06/13/38/1435061338.db2.gz BZOUFZRDAJYPGU-MRXNPFEDSA-N 0 1 388.493 3.066 20 0 GGADMN COc1cc(F)ccc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274354312 1435064379 /nfs/dbraw/zinc/06/43/79/1435064379.db2.gz UGFFHECOASFKPL-GFCCVEGCSA-N 0 1 399.415 3.190 20 0 GGADMN COCc1c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cnn1-c1ccccc1 ZINC000274364662 1435065384 /nfs/dbraw/zinc/06/53/84/1435065384.db2.gz BSBDYDJSUVNJPC-UHFFFAOYSA-N 0 1 379.464 3.070 20 0 GGADMN CC(C)(C)c1nnc2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cn21 ZINC000274395088 1435067827 /nfs/dbraw/zinc/06/78/27/1435067827.db2.gz CVNWHGZBEXWKCW-INIZCTEOSA-N 0 1 381.480 3.187 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@@H](C)c2cc(C)c(C(=O)OC)o2)cc1 ZINC000274417736 1435069346 /nfs/dbraw/zinc/06/93/46/1435069346.db2.gz DFEITLLBNBTPCS-KBPBESRZSA-N 0 1 375.421 3.338 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(C(OC)OC)o1)N1CCCC1 ZINC000274419449 1435069537 /nfs/dbraw/zinc/06/95/37/1435069537.db2.gz DDSDUXJEEIGOLG-INIZCTEOSA-N 0 1 388.464 3.147 20 0 GGADMN COC(OC)c1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)o1 ZINC000274431159 1435070599 /nfs/dbraw/zinc/07/05/99/1435070599.db2.gz FWISJEFQARWNQA-UHFFFAOYSA-N 0 1 376.478 3.372 20 0 GGADMN OCC[C@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000274464342 1435072927 /nfs/dbraw/zinc/07/29/27/1435072927.db2.gz YAHIMZKOIWCLAG-RTWAWAEBSA-N 0 1 381.472 3.460 20 0 GGADMN CCc1ccc(CS(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000274468443 1435073204 /nfs/dbraw/zinc/07/32/04/1435073204.db2.gz MNFVKDAUTWFNIW-UHFFFAOYSA-N 0 1 376.522 3.268 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc2[nH]c(=O)oc21)c1cccc(C(F)(F)F)c1 ZINC000274474877 1435073448 /nfs/dbraw/zinc/07/34/48/1435073448.db2.gz ZUKBUDZFBYZNFO-HNNXBMFYSA-N 0 1 393.365 3.173 20 0 GGADMN CC(C)(C)c1nnc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cn21 ZINC000274507362 1435075409 /nfs/dbraw/zinc/07/54/09/1435075409.db2.gz GHUAITKJHPQJEH-AWEZNQCLSA-N 0 1 393.495 3.042 20 0 GGADMN COc1cc2c(cc1NC(=O)NC[C@H](c1ccco1)N1CCCC1)NC(=O)CC2 ZINC000274520585 1435076381 /nfs/dbraw/zinc/07/63/81/1435076381.db2.gz WNZRFQSBIFELLM-QGZVFWFLSA-N 0 1 398.463 3.132 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000274525677 1435076589 /nfs/dbraw/zinc/07/65/89/1435076589.db2.gz AACJDZWBFSCMFW-KGLIPLIRSA-N 0 1 382.386 3.369 20 0 GGADMN CCc1c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cnn1-c1ccccc1OC ZINC000274533163 1435077034 /nfs/dbraw/zinc/07/70/34/1435077034.db2.gz JEZULXDWRHSASB-CYBMUJFWSA-N 0 1 382.468 3.176 20 0 GGADMN Cc1nc(C(C)(C)NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)no1 ZINC000274539789 1435077533 /nfs/dbraw/zinc/07/75/33/1435077533.db2.gz BRMXAQNGWDLXPT-CQSZACIVSA-N 0 1 399.417 3.234 20 0 GGADMN CN1CCO[C@@H]([C@H](NCc2cccc(-n3cncn3)c2)c2ccc(Cl)cc2)C1 ZINC000274551422 1435078093 /nfs/dbraw/zinc/07/80/93/1435078093.db2.gz DLUBPSSBANMWPF-NHCUHLMSSA-N 0 1 397.910 3.082 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000274577065 1435078892 /nfs/dbraw/zinc/07/88/92/1435078892.db2.gz NPBJKRWXGZUCPQ-OLZOCXBDSA-N 0 1 382.386 3.369 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000274577066 1435078949 /nfs/dbraw/zinc/07/89/49/1435078949.db2.gz NPBJKRWXGZUCPQ-QWHCGFSZSA-N 0 1 382.386 3.369 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000274577063 1435078980 /nfs/dbraw/zinc/07/89/80/1435078980.db2.gz NPBJKRWXGZUCPQ-CHWSQXEVSA-N 0 1 382.386 3.369 20 0 GGADMN Cc1c(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cnn1C1CCCCC1 ZINC000274595181 1435079919 /nfs/dbraw/zinc/07/99/19/1435079919.db2.gz RTTBKUXSOMBWHU-UHFFFAOYSA-N 0 1 394.479 3.324 20 0 GGADMN COc1ccsc1[C@H](C)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 ZINC000274600325 1435080140 /nfs/dbraw/zinc/08/01/40/1435080140.db2.gz PPRUOSOBXXNVBL-ZDUSSCGKSA-N 0 1 378.494 3.083 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc(C(OC)OC)o2)N2CCCC2)cc1 ZINC000274597427 1435080171 /nfs/dbraw/zinc/08/01/71/1435080171.db2.gz SFPRXIKMOTUGKD-KRWDZBQOSA-N 0 1 388.464 3.147 20 0 GGADMN COc1cc([C@H](C)NCc2n[nH]c(COc3ccccc3)n2)cc(OC)c1OC ZINC000274600594 1435080376 /nfs/dbraw/zinc/08/03/76/1435080376.db2.gz HMUAOJRTRIDTQP-AWEZNQCLSA-N 0 1 398.463 3.260 20 0 GGADMN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCc1nc2ccc(F)cc2[nH]1 ZINC000274626670 1435081752 /nfs/dbraw/zinc/08/17/52/1435081752.db2.gz QONBKHYIVNJFFO-UHFFFAOYSA-N 0 1 397.406 3.143 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCC4(CC(C(=O)OC)=NO4)CC3)co2)cc1 ZINC000274636826 1435082366 /nfs/dbraw/zinc/08/23/66/1435082366.db2.gz XWXSQHSGWGKEBQ-UHFFFAOYSA-N 0 1 399.447 3.024 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC(c4nnc5n4CCCC5)CC3)n[nH]2)cc1 ZINC000274642529 1435082747 /nfs/dbraw/zinc/08/27/47/1435082747.db2.gz BPLGYKJRPAJZBX-UHFFFAOYSA-N 0 1 390.491 3.333 20 0 GGADMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1cccc(N2CCOCC2)c1 ZINC000274643405 1435082756 /nfs/dbraw/zinc/08/27/56/1435082756.db2.gz RNJJRPFPQRUJFY-QGZVFWFLSA-N 0 1 393.491 3.071 20 0 GGADMN COc1ccc(SCCC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000274661374 1435084064 /nfs/dbraw/zinc/08/40/64/1435084064.db2.gz GLQJCJVRJFLYCC-UHFFFAOYSA-N 0 1 398.488 3.191 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cnn(C)c1 ZINC000274679463 1435085076 /nfs/dbraw/zinc/08/50/76/1435085076.db2.gz QZJPPXXTBQZTIS-MLGOLLRUSA-N 0 1 383.418 3.102 20 0 GGADMN COCCOc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)c(Cl)c1 ZINC000274701331 1435086397 /nfs/dbraw/zinc/08/63/97/1435086397.db2.gz NTYMASYKQXUGSK-UHFFFAOYSA-N 0 1 377.872 3.417 20 0 GGADMN COc1ccc([C@H](CN2CCCC2)NC(=O)CCC(=O)c2ccccn2)cc1 ZINC000274709444 1435086818 /nfs/dbraw/zinc/08/68/18/1435086818.db2.gz PVXDCLSDQAYXMW-FQEVSTJZSA-N 0 1 381.476 3.006 20 0 GGADMN COc1ccc([C@@H](CN2CCCC2)NC(=O)CCC(=O)c2ccccn2)cc1 ZINC000274709449 1435086838 /nfs/dbraw/zinc/08/68/38/1435086838.db2.gz PVXDCLSDQAYXMW-HXUWFJFHSA-N 0 1 381.476 3.006 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCC(c2nnc3n2CCCC3)CC1)c1ccccc1 ZINC000274717685 1435087382 /nfs/dbraw/zinc/08/73/82/1435087382.db2.gz CUFUWNMPORMDGQ-FQEVSTJZSA-N 0 1 381.524 3.013 20 0 GGADMN Cc1c(C(=O)Nc2cc(F)cc(Cl)c2O)cnn1CCO[C@@H]1CCCCO1 ZINC000274752611 1435089827 /nfs/dbraw/zinc/08/98/27/1435089827.db2.gz XJCCEUSNWLPOOX-MRXNPFEDSA-N 0 1 397.834 3.485 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000274758465 1435090199 /nfs/dbraw/zinc/09/01/99/1435090199.db2.gz QIEWASYXDASGLI-UHFFFAOYSA-N 0 1 388.415 3.237 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@]2(C)CCCO)N2CCCC2)cc1 ZINC000274782952 1435092011 /nfs/dbraw/zinc/09/20/11/1435092011.db2.gz OIHFHRDMIUXILC-UNMCSNQZSA-N 0 1 389.540 3.169 20 0 GGADMN CCCCCCOc1ccc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)cc1OC ZINC000274799451 1435093703 /nfs/dbraw/zinc/09/37/03/1435093703.db2.gz SDJPGXORRSSHTD-CQSZACIVSA-N 0 1 375.473 3.043 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cn[nH]c1-c1ccncc1 ZINC000274808587 1435094445 /nfs/dbraw/zinc/09/44/45/1435094445.db2.gz PYSWXTCPDVMEDC-UHFFFAOYSA-N 0 1 387.443 3.413 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN3CCCO[C@@H](C)C3)cc2OC)o1 ZINC000274820153 1435095408 /nfs/dbraw/zinc/09/54/08/1435095408.db2.gz BFQNREHHMADKRP-HNNXBMFYSA-N 0 1 389.448 3.265 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCCCCSC)N(C)C)cc1OC ZINC000274824117 1435095739 /nfs/dbraw/zinc/09/57/39/1435095739.db2.gz QRUUECICIQKWAA-INIZCTEOSA-N 0 1 383.558 3.139 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCC[C@@]2(C)CCCO)N2CCCC2)c1 ZINC000274835295 1435096518 /nfs/dbraw/zinc/09/65/18/1435096518.db2.gz IQWDUWPSIBAHCC-IRLDBZIGSA-N 0 1 389.540 3.169 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN[C@H](C)c3cn[nH]c3)cc2OC)o1 ZINC000274852567 1435097810 /nfs/dbraw/zinc/09/78/10/1435097810.db2.gz PRKNSVIWTSDCNP-CYBMUJFWSA-N 0 1 385.420 3.228 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2ncc(C(C)(C)C)o2)c1 ZINC000274864477 1435099068 /nfs/dbraw/zinc/09/90/68/1435099068.db2.gz BOOUOJVHFOPPCX-UHFFFAOYSA-N 0 1 380.466 3.043 20 0 GGADMN c1cc(-c2nnc3ccc(N4CCC[C@@H](c5nc(C6CC6)n[nH]5)C4)nn32)cs1 ZINC000274883549 1435100868 /nfs/dbraw/zinc/10/08/68/1435100868.db2.gz IBDOCBQVJRYQFH-CYBMUJFWSA-N 0 1 392.492 3.232 20 0 GGADMN c1cc(-c2nnc3ccc(N4CCC[C@@H](c5n[nH]c(C6CC6)n5)C4)nn32)cs1 ZINC000274883549 1435100870 /nfs/dbraw/zinc/10/08/70/1435100870.db2.gz IBDOCBQVJRYQFH-CYBMUJFWSA-N 0 1 392.492 3.232 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)n[nH]1 ZINC000274903057 1435102529 /nfs/dbraw/zinc/10/25/29/1435102529.db2.gz HQWYFABUWUDEGV-JVXZTZIISA-N 0 1 377.317 3.309 20 0 GGADMN CS(=O)(=O)CCCCCNC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000274905197 1435102766 /nfs/dbraw/zinc/10/27/66/1435102766.db2.gz IIRICZKCNACXLY-UHFFFAOYSA-N 0 1 391.518 3.236 20 0 GGADMN C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000274914167 1435103132 /nfs/dbraw/zinc/10/31/32/1435103132.db2.gz VKMIHWBIZUUKAM-KSSFIOAISA-N 0 1 393.503 3.048 20 0 GGADMN O=C1[C@@H](N2CCC(c3nnc4n3CCCC4)CC2)CCCN1c1cccc(F)c1 ZINC000274973927 1435106931 /nfs/dbraw/zinc/10/69/31/1435106931.db2.gz KYCCVVNNJKTREY-IBGZPJMESA-N 0 1 397.498 3.129 20 0 GGADMN CC(=O)c1ccc(NC(=O)CCN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275031836 1435111358 /nfs/dbraw/zinc/11/13/58/1435111358.db2.gz WIEBJJHYCDWENY-UHFFFAOYSA-N 0 1 395.507 3.025 20 0 GGADMN O[C@H](CN1CCC(c2nnc3n2CCCC3)CC1)c1ccc(F)cc1Cl ZINC000275033583 1435111438 /nfs/dbraw/zinc/11/14/38/1435111438.db2.gz WPJIDOIQBNIRGS-QGZVFWFLSA-N 0 1 378.879 3.320 20 0 GGADMN COCOc1ccc(OC)cc1CNCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000275037685 1435111733 /nfs/dbraw/zinc/11/17/33/1435111733.db2.gz FQIKURYUTWCWFL-UHFFFAOYSA-N 0 1 392.496 3.335 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000275042355 1435112228 /nfs/dbraw/zinc/11/22/28/1435112228.db2.gz RRMVZHYEZWMLDK-UHFFFAOYSA-N 0 1 388.415 3.010 20 0 GGADMN COc1ccc(-c2nc(CN3CC[C@H](C(=O)NCC(F)(F)F)C3)cs2)cc1 ZINC000275074015 1435114513 /nfs/dbraw/zinc/11/45/13/1435114513.db2.gz BEPYPJXVMRBBMD-ZDUSSCGKSA-N 0 1 399.438 3.319 20 0 GGADMN Cc1ccccc1C1(C(=O)NC2CCN(Cc3cccnc3)CC2)CCOCC1 ZINC000275106938 1435116675 /nfs/dbraw/zinc/11/66/75/1435116675.db2.gz RKZPQSDUPNPFFC-UHFFFAOYSA-N 0 1 393.531 3.219 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000275123241 1435117632 /nfs/dbraw/zinc/11/76/32/1435117632.db2.gz PZIBIKRAEKPKJF-GFCCVEGCSA-N 0 1 386.805 3.026 20 0 GGADMN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccn(-c3ccncc3)n1)CC2 ZINC000275130971 1435118034 /nfs/dbraw/zinc/11/80/34/1435118034.db2.gz JQFMWSYRJNGWRG-LJQANCHMSA-N 0 1 389.459 3.133 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)n[nH]1 ZINC000275186343 1435121322 /nfs/dbraw/zinc/12/13/22/1435121322.db2.gz ZSVCIVXURUCCQB-JTQLQIEISA-N 0 1 375.864 3.029 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@@H](C)n3cnc4ccccc43)C1)CCCC2 ZINC000275209339 1435123092 /nfs/dbraw/zinc/12/30/92/1435123092.db2.gz BMAPVERDHAXKQF-WBVHZDCISA-N 0 1 377.492 3.455 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000275211976 1435123281 /nfs/dbraw/zinc/12/32/81/1435123281.db2.gz ASWLOAFXWWYCML-JXFKEZNVSA-N 0 1 390.915 3.365 20 0 GGADMN CC(=O)N1CCc2cc(C(=O)N3CC[C@H](n4c(C)nc5c4CCCC5)C3)ccc21 ZINC000275222105 1435124050 /nfs/dbraw/zinc/12/40/50/1435124050.db2.gz DBWIQTNBUNYCTO-IBGZPJMESA-N 0 1 392.503 3.067 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)C1)CCCC2 ZINC000275278597 1435128133 /nfs/dbraw/zinc/12/81/33/1435128133.db2.gz KGBFTODJXIJLQQ-WBVHZDCISA-N 0 1 396.466 3.109 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)C1)CCCC2 ZINC000275278589 1435128158 /nfs/dbraw/zinc/12/81/58/1435128158.db2.gz KGBFTODJXIJLQQ-NVXWUHKLSA-N 0 1 396.466 3.109 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C1)CCCC2 ZINC000275289022 1435128985 /nfs/dbraw/zinc/12/89/85/1435128985.db2.gz LOHVLVQPLHHZQU-HXUWFJFHSA-N 0 1 389.503 3.402 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000275358086 1435133776 /nfs/dbraw/zinc/13/37/76/1435133776.db2.gz VAOIBRTUNDWAPY-LPHOPBHVSA-N 0 1 376.888 3.057 20 0 GGADMN O=C(NCCCc1nnc2n1CCCC2)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000275362124 1435134160 /nfs/dbraw/zinc/13/41/60/1435134160.db2.gz SZCMZAVTIBOGBL-UHFFFAOYSA-N 0 1 390.900 3.082 20 0 GGADMN CCc1cc2c(C[NH2+][C@H]3CCO[C@@H]3c3c(C)nn(C)c3C)cc(=O)oc2cc1[O-] ZINC000275383316 1435135358 /nfs/dbraw/zinc/13/53/58/1435135358.db2.gz YYGINEGKVQGFRV-JTSKRJEESA-N 0 1 397.475 3.031 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000275437267 1435139163 /nfs/dbraw/zinc/13/91/63/1435139163.db2.gz IPZOLLATHIGORE-GOSISDBHSA-N 0 1 381.520 3.069 20 0 GGADMN Cc1noc2nc(C)cc(C(=O)N3CC[C@@H](n4c(C)nc5c4CCCC5)C3)c12 ZINC000275436020 1435139190 /nfs/dbraw/zinc/13/91/90/1435139190.db2.gz UYYAEXPRWWNLQC-OAHLLOKOSA-N 0 1 379.464 3.311 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cccc(NC(=O)N(C)C)c3)C1)CCCC2 ZINC000275439269 1435139329 /nfs/dbraw/zinc/13/93/29/1435139329.db2.gz DHUKFWZFIMCRMO-SFHVURJKSA-N 0 1 395.507 3.251 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc4c(c3)OCCCO4)C1)CCCC2 ZINC000275444031 1435139747 /nfs/dbraw/zinc/13/97/47/1435139747.db2.gz VRAFEOUMCAHKNS-QGZVFWFLSA-N 0 1 381.476 3.319 20 0 GGADMN Fc1ccc(Cn2cc(CNCc3cc(F)ccc3N3CCOCC3)cn2)cc1 ZINC000275443942 1435139755 /nfs/dbraw/zinc/13/97/55/1435139755.db2.gz FQZPCWCHSVDIGQ-UHFFFAOYSA-N 0 1 398.457 3.336 20 0 GGADMN COc1cc(F)c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc1OC ZINC000275474303 1435141810 /nfs/dbraw/zinc/14/18/10/1435141810.db2.gz XZGXDUAMQYOCDY-CQSZACIVSA-N 0 1 387.455 3.314 20 0 GGADMN CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CCO2)o1 ZINC000275540461 1435146747 /nfs/dbraw/zinc/14/67/47/1435146747.db2.gz ZNDJGGPODXSFEB-OALUTQOASA-N 0 1 398.507 3.148 20 0 GGADMN CC(C)c1nnc([C@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CCO2)o1 ZINC000275540464 1435146859 /nfs/dbraw/zinc/14/68/59/1435146859.db2.gz ZNDJGGPODXSFEB-RBUKOAKNSA-N 0 1 398.507 3.148 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2cnn(C)c2)cc1OCC ZINC000275548534 1435147457 /nfs/dbraw/zinc/14/74/57/1435147457.db2.gz UPVAMTMOPKLWHN-ZDUSSCGKSA-N 0 1 383.452 3.099 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccn3)cc2)CCN1CC(C)(C)O ZINC000275557395 1435148148 /nfs/dbraw/zinc/14/81/48/1435148148.db2.gz CGYSTMMQPOYTGH-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN COc1cc(CNCc2ccc(Cl)cc2F)ccc1OCC(=O)N(C)C ZINC000275588945 1435150950 /nfs/dbraw/zinc/15/09/50/1435150950.db2.gz JCVIZDSYFCHAHV-UHFFFAOYSA-N 0 1 380.847 3.245 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275596667 1435151619 /nfs/dbraw/zinc/15/16/19/1435151619.db2.gz RYHLQQQQFVZEPM-NSHDSACASA-N 0 1 377.370 3.190 20 0 GGADMN COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000275655026 1435156890 /nfs/dbraw/zinc/15/68/90/1435156890.db2.gz CUMSPZSBUNRNJE-HXUWFJFHSA-N 0 1 387.911 3.073 20 0 GGADMN Cc1ccc(C)c(OC2CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)CC2)c1 ZINC000275699479 1435160898 /nfs/dbraw/zinc/16/08/98/1435160898.db2.gz QPQKDXDFYLAUHH-UHFFFAOYSA-N 0 1 379.464 3.111 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)c3c[nH]nc3-c3ccsc3)cn2)C[C@H](C)O1 ZINC000275711030 1435161934 /nfs/dbraw/zinc/16/19/34/1435161934.db2.gz SBWCUXIOVAVKAI-BETUJISGSA-N 0 1 383.477 3.399 20 0 GGADMN COc1ccc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)c(C)c1 ZINC000275750692 1435165451 /nfs/dbraw/zinc/16/54/51/1435165451.db2.gz SOPJSHXAVZHQPU-UHFFFAOYSA-N 0 1 399.516 3.130 20 0 GGADMN COc1ccc2oc([C@@H](C)NC(=O)c3cn[nH]c3-c3cnn(C)c3)c(C)c2c1 ZINC000275758444 1435166321 /nfs/dbraw/zinc/16/63/21/1435166321.db2.gz FBYDPXRNPSHNQI-GFCCVEGCSA-N 0 1 379.420 3.364 20 0 GGADMN C[C@@H]1C(=O)CC[C@H](C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1(C)C ZINC000275757849 1435166330 /nfs/dbraw/zinc/16/63/30/1435166330.db2.gz ZCLUDHDKNJBHKZ-NRSPTQNISA-N 0 1 399.579 3.123 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2C(=O)NOCc2ccc(C(F)(F)F)cc2)cnn1C ZINC000275759497 1435166534 /nfs/dbraw/zinc/16/65/34/1435166534.db2.gz VCSGZSDEGMLGNF-HOCLYGCPSA-N 0 1 383.370 3.073 20 0 GGADMN CCN(Cc1ccncc1)C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000275771038 1435167558 /nfs/dbraw/zinc/16/75/58/1435167558.db2.gz ODMOFAMIBZFVFZ-QGZVFWFLSA-N 0 1 394.519 3.429 20 0 GGADMN Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000275785345 1435169240 /nfs/dbraw/zinc/16/92/40/1435169240.db2.gz WTDAFDXUMZOBGD-CQSZACIVSA-N 0 1 395.429 3.225 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)/C=C/c2ccc(SC(F)F)cc2)CC1 ZINC000275799152 1435170591 /nfs/dbraw/zinc/17/05/91/1435170591.db2.gz UPTNBNYBRUIEGU-VMPITWQZSA-N 0 1 398.475 3.412 20 0 GGADMN COc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c(C(F)(F)F)c1 ZINC000275835360 1435173625 /nfs/dbraw/zinc/17/36/25/1435173625.db2.gz ZCLWNHVYLZOAFX-GFCCVEGCSA-N 0 1 389.418 3.023 20 0 GGADMN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275941079 1435181360 /nfs/dbraw/zinc/18/13/60/1435181360.db2.gz XPOKBAWAJFYSLQ-QRWLVFNGSA-N 0 1 389.459 3.036 20 0 GGADMN C[C@H](c1nc2ccccc2o1)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275946744 1435181684 /nfs/dbraw/zinc/18/16/84/1435181684.db2.gz LRHSDYZTVFDIPI-SJORKVTESA-N 0 1 395.507 3.324 20 0 GGADMN C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275946731 1435181728 /nfs/dbraw/zinc/18/17/28/1435181728.db2.gz LRHSDYZTVFDIPI-IAGOWNOFSA-N 0 1 395.507 3.324 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC([C@H]4CCCO4)CC3)n[nH]2)cc1OC ZINC000275966612 1435182987 /nfs/dbraw/zinc/18/29/87/1435182987.db2.gz DYFFTFUTFGBMHC-GOSISDBHSA-N 0 1 385.464 3.125 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)CCS2 ZINC000276094543 1435190504 /nfs/dbraw/zinc/19/05/04/1435190504.db2.gz DKIUIPQFEUADMR-BBRMVZONSA-N 0 1 387.427 3.005 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)n[nH]1 ZINC000276116371 1435192068 /nfs/dbraw/zinc/19/20/68/1435192068.db2.gz ARMASJAWIMATAK-MNOVXSKESA-N 0 1 381.864 3.317 20 0 GGADMN CCOC(=O)c1csc(CCN[C@@H](C(=O)N(CC)CC)c2ccccc2)n1 ZINC000276132128 1435193127 /nfs/dbraw/zinc/19/31/27/1435193127.db2.gz BHFSNDGBMDEPLU-GOSISDBHSA-N 0 1 389.521 3.062 20 0 GGADMN COc1ccc2c(c1)[C@@H](N[C@H]1CCCN(Cc3ccccn3)C1=O)CCS2 ZINC000276156847 1435194528 /nfs/dbraw/zinc/19/45/28/1435194528.db2.gz QAFBINPKDRXYOV-OALUTQOASA-N 0 1 383.517 3.408 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)n[nH]1 ZINC000276175432 1435195485 /nfs/dbraw/zinc/19/54/85/1435195485.db2.gz GSRZKHOVHNCTNQ-RYUDHWBXSA-N 0 1 393.875 3.319 20 0 GGADMN CCc1cc2oc(=O)cc(CN(C)CCOCCOCCOC)c2cc1Cl ZINC000276212299 1435197897 /nfs/dbraw/zinc/19/78/97/1435197897.db2.gz HTWXUKYETZUTNZ-UHFFFAOYSA-N 0 1 397.899 3.120 20 0 GGADMN CC(=O)c1cccc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)c1 ZINC000276261428 1435200698 /nfs/dbraw/zinc/20/06/98/1435200698.db2.gz BDKHUYIBNGHART-IBGZPJMESA-N 0 1 390.443 3.056 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cnn1C(C)C ZINC000276360756 1435206835 /nfs/dbraw/zinc/20/68/35/1435206835.db2.gz MUUJBCZBCUAFSN-HUUCEWRRSA-N 0 1 378.542 3.435 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000276361534 1435207037 /nfs/dbraw/zinc/20/70/37/1435207037.db2.gz RVMJHZQCZQGGMS-CYBMUJFWSA-N 0 1 379.848 3.070 20 0 GGADMN CCS(=O)(=O)CCCCCN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000276365296 1435207297 /nfs/dbraw/zinc/20/72/97/1435207297.db2.gz BKIWLJXXJLQSPZ-AWEZNQCLSA-N 0 1 383.489 3.440 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)c1ccsc1 ZINC000276381287 1435208169 /nfs/dbraw/zinc/20/81/69/1435208169.db2.gz OGXFSKSVHDTJOO-OAHLLOKOSA-N 0 1 394.928 3.243 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)c2)CC1 ZINC000276393383 1435208937 /nfs/dbraw/zinc/20/89/37/1435208937.db2.gz VDEHXZNACFHKNN-KRWDZBQOSA-N 0 1 383.458 3.237 20 0 GGADMN CCC(O)(CC)CCNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000276396522 1435209077 /nfs/dbraw/zinc/20/90/77/1435209077.db2.gz FXVXNCMOQACTLK-UHFFFAOYSA-N 0 1 385.512 3.302 20 0 GGADMN CCS(=O)(=O)CCCCCN1CCC(OCc2ccccc2OC)CC1 ZINC000276401194 1435209459 /nfs/dbraw/zinc/20/94/59/1435209459.db2.gz KOBHDTJZNRDDPZ-UHFFFAOYSA-N 0 1 383.554 3.281 20 0 GGADMN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cn[nH]c3C3CC3)c2)c1C ZINC000276413851 1435210236 /nfs/dbraw/zinc/21/02/36/1435210236.db2.gz GHCDLKGCPLXJPS-UHFFFAOYSA-N 0 1 379.420 3.210 20 0 GGADMN COc1ccc(CN2CCC(CNC(=O)[C@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000276456622 1435212284 /nfs/dbraw/zinc/21/22/84/1435212284.db2.gz NHMONEHCVRJACN-QFIPXVFZSA-N 0 1 392.499 3.394 20 0 GGADMN CCN(CCC[NH+](CC)CC)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000276499360 1435214606 /nfs/dbraw/zinc/21/46/06/1435214606.db2.gz UPKIOQPYDPDXIB-UHFFFAOYSA-N 0 1 399.539 3.066 20 0 GGADMN O=C(NC[C@H]1CCC2(CCCCC2)O1)NC1CCN(Cc2ccncc2)CC1 ZINC000276601085 1435220025 /nfs/dbraw/zinc/22/00/25/1435220025.db2.gz HWHBCYZNDFHBIN-HXUWFJFHSA-N 0 1 386.540 3.227 20 0 GGADMN Cc1c([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cnn1C(C)C ZINC000276602191 1435220027 /nfs/dbraw/zinc/22/00/27/1435220027.db2.gz YCQHAWMOSBAKBR-CQSZACIVSA-N 0 1 394.516 3.302 20 0 GGADMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(C)c(C)nn3C)cc2c1C ZINC000276655017 1435222982 /nfs/dbraw/zinc/22/29/82/1435222982.db2.gz REKZVFWLGVQWQA-UHFFFAOYSA-N 0 1 391.449 3.069 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000276691938 1435225579 /nfs/dbraw/zinc/22/55/79/1435225579.db2.gz JQLWXZULXQTGHE-UHFFFAOYSA-N 0 1 386.477 3.154 20 0 GGADMN C[C@@H]1c2nncn2CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000276706361 1435226489 /nfs/dbraw/zinc/22/64/89/1435226489.db2.gz BDGVJJUUZWDAPP-QGZVFWFLSA-N 0 1 375.476 3.127 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C ZINC000276706473 1435226497 /nfs/dbraw/zinc/22/64/97/1435226497.db2.gz LGTAOVFRZGFNMS-UHFFFAOYSA-N 0 1 387.461 3.314 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCn2cnnc2[C@@H]1C)c1ccccc1Cl ZINC000276720295 1435227621 /nfs/dbraw/zinc/22/76/21/1435227621.db2.gz SKSNJGCONWAJMT-WMLDXEAASA-N 0 1 390.919 3.101 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(NC(C)=O)c2C)[nH]1 ZINC000276724234 1435228038 /nfs/dbraw/zinc/22/80/38/1435228038.db2.gz BYJGQFLWZIIYHM-UHFFFAOYSA-N 0 1 386.452 3.448 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NC2CCN(c3ccccn3)CC2)n1 ZINC000276729587 1435228523 /nfs/dbraw/zinc/22/85/23/1435228523.db2.gz HDQUIIBXYOCGQJ-HNNXBMFYSA-N 0 1 379.464 3.460 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000276734192 1435228796 /nfs/dbraw/zinc/22/87/96/1435228796.db2.gz BYXLABOWXGYJOY-OXJNMPFZSA-N 0 1 392.459 3.094 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000276734188 1435228831 /nfs/dbraw/zinc/22/88/31/1435228831.db2.gz BYXLABOWXGYJOY-JXFKEZNVSA-N 0 1 392.459 3.094 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000276741388 1435229204 /nfs/dbraw/zinc/22/92/04/1435229204.db2.gz DGKUTAFKIMFJIP-CQSZACIVSA-N 0 1 380.448 3.474 20 0 GGADMN COc1ccc([C@@H](NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)C2CC2)cc1 ZINC000276750698 1435229754 /nfs/dbraw/zinc/22/97/54/1435229754.db2.gz FMJIXFIHGFUVSD-IBGZPJMESA-N 0 1 378.432 3.086 20 0 GGADMN CCOc1ccc(C(=O)NCC(=O)Nc2cc3cn[nH]c3cc2C)cc1OCC ZINC000276756208 1435230154 /nfs/dbraw/zinc/23/01/54/1435230154.db2.gz NDQJMMFUWAKWOE-UHFFFAOYSA-N 0 1 396.447 3.037 20 0 GGADMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276756173 1435230255 /nfs/dbraw/zinc/23/02/55/1435230255.db2.gz NDFZZHHKOXPRIN-ZDUSSCGKSA-N 0 1 378.498 3.456 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)cc1OC ZINC000276769978 1435231130 /nfs/dbraw/zinc/23/11/30/1435231130.db2.gz IBNFLOVQNXBTQW-CYBMUJFWSA-N 0 1 396.447 3.013 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OCCOC)c(F)c2)n[nH]1 ZINC000276771966 1435231258 /nfs/dbraw/zinc/23/12/58/1435231258.db2.gz CMSIHFRODOZOIG-NWDGAFQWSA-N 0 1 379.436 3.365 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)C2=Cc3ccccc3OCC2)n[nH]1 ZINC000276777946 1435231909 /nfs/dbraw/zinc/23/19/09/1435231909.db2.gz CWVNRQQXBISDRP-CHWSQXEVSA-N 0 1 376.482 3.122 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCN1c1ncnc2sccc21 ZINC000276778991 1435231915 /nfs/dbraw/zinc/23/19/15/1435231915.db2.gz PMOGIYIKJBIZCI-MRXNPFEDSA-N 0 1 378.461 3.484 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c(C)c1 ZINC000276783608 1435232235 /nfs/dbraw/zinc/23/22/35/1435232235.db2.gz AUIVACKTHORAKB-OCCSQVGLSA-N 0 1 387.484 3.231 20 0 GGADMN COc1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ccc1OCC(=O)NC(C)C ZINC000276794530 1435232977 /nfs/dbraw/zinc/23/29/77/1435232977.db2.gz RITNRHPOKOPTME-UHFFFAOYSA-N 0 1 396.447 3.036 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)n[nH]1 ZINC000276795185 1435233147 /nfs/dbraw/zinc/23/31/47/1435233147.db2.gz BZMLATURRSRKLT-DGCLKSJQSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)n[nH]1 ZINC000276797001 1435233312 /nfs/dbraw/zinc/23/33/12/1435233312.db2.gz CGTLAPYUHRQKDD-ZIAGYGMSSA-N 0 1 399.495 3.456 20 0 GGADMN CCOc1cc(CN2CC[C@@H](N3CCCC3=O)C2)ccc1OCC(F)(F)F ZINC000276797250 1435233334 /nfs/dbraw/zinc/23/33/34/1435233334.db2.gz LVIXZRDENIEGLM-OAHLLOKOSA-N 0 1 386.414 3.223 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)n[nH]1 ZINC000276800949 1435233576 /nfs/dbraw/zinc/23/35/76/1435233576.db2.gz CMBLFQZLQYBGDM-QCKYIGFZSA-N 0 1 377.514 3.177 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(CCSC)cc2)n[nH]1 ZINC000276802949 1435233693 /nfs/dbraw/zinc/23/36/93/1435233693.db2.gz CUIZGZMPAWGQFV-CHWSQXEVSA-N 0 1 389.525 3.040 20 0 GGADMN Cc1nc2c(s1)[C@H](N(C)C(=O)C(=O)Nc1cc3cn[nH]c3cc1C)CCC2 ZINC000276801768 1435233800 /nfs/dbraw/zinc/23/38/00/1435233800.db2.gz MOZJRAFOPSMHLP-MRXNPFEDSA-N 0 1 383.477 3.111 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)n[nH]1 ZINC000276804727 1435234027 /nfs/dbraw/zinc/23/40/27/1435234027.db2.gz DAIHTDCONYWNPZ-MNOVXSKESA-N 0 1 396.451 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n[nH]1 ZINC000276814657 1435234590 /nfs/dbraw/zinc/23/45/90/1435234590.db2.gz DXYMUSGJICXEMC-ZIAGYGMSSA-N 0 1 399.474 3.246 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n[nH]1 ZINC000276814655 1435234666 /nfs/dbraw/zinc/23/46/66/1435234666.db2.gz DXYMUSGJICXEMC-KGLIPLIRSA-N 0 1 399.474 3.246 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCCC(=O)N2Cc3ccccc3C2)n[nH]1 ZINC000276816785 1435234822 /nfs/dbraw/zinc/23/48/22/1435234822.db2.gz FCZKAJZJXGZBLE-HUUCEWRRSA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276821532 1435235205 /nfs/dbraw/zinc/23/52/05/1435235205.db2.gz FPIZIIVALOMAPP-IUCAKERBSA-N 0 1 390.435 3.396 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)n[nH]1 ZINC000276824163 1435235420 /nfs/dbraw/zinc/23/54/20/1435235420.db2.gz FTTGEMHMXPTXTL-FZMZJTMJSA-N 0 1 394.479 3.299 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)n[nH]1 ZINC000276830588 1435235767 /nfs/dbraw/zinc/23/57/67/1435235767.db2.gz GNBTYLXOJOHHFF-LOWVWBTDSA-N 0 1 375.477 3.336 20 0 GGADMN O=C1CCCN1[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000276829070 1435235877 /nfs/dbraw/zinc/23/58/77/1435235877.db2.gz QQHPUHZTLDRNLT-OAQYLSRUSA-N 0 1 387.487 3.131 20 0 GGADMN Cc1csc([C@](O)(CC(=O)Nc2cc3cn[nH]c3cc2C)C(F)(F)F)n1 ZINC000276833692 1435236272 /nfs/dbraw/zinc/23/62/72/1435236272.db2.gz WQWFKFHVIFFAKL-OAHLLOKOSA-N 0 1 384.383 3.415 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)n[nH]1 ZINC000276835252 1435236301 /nfs/dbraw/zinc/23/63/01/1435236301.db2.gz AEMQEXFWIMURET-KBPBESRZSA-N 0 1 392.463 3.457 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276838550 1435236414 /nfs/dbraw/zinc/23/64/14/1435236414.db2.gz CEFDAHXATFVWSO-AYSSICMYSA-N 0 1 388.468 3.235 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000276840379 1435236735 /nfs/dbraw/zinc/23/67/35/1435236735.db2.gz SJXDLXMYVDPPBU-GOSISDBHSA-N 0 1 392.459 3.018 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000276851093 1435237300 /nfs/dbraw/zinc/23/73/00/1435237300.db2.gz IYFFCSHQQAWDPD-DPDCMNJDSA-N 0 1 393.438 3.487 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2nccn2CCc2ccccc2)n[nH]1 ZINC000276850891 1435237429 /nfs/dbraw/zinc/23/74/29/1435237429.db2.gz IVOUEAOVQIKGSJ-HZPDHXFCSA-N 0 1 395.511 3.318 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000276851234 1435237580 /nfs/dbraw/zinc/23/75/80/1435237580.db2.gz IZAXNEHCRCJXCQ-ZJUUUORDSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000276851099 1435237632 /nfs/dbraw/zinc/23/76/32/1435237632.db2.gz IYFFCSHQQAWDPD-GREKMHCPSA-N 0 1 393.438 3.487 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(SC)ccc2C)n[nH]1 ZINC000276857346 1435237754 /nfs/dbraw/zinc/23/77/54/1435237754.db2.gz JTDYTMVPCMZHRC-PWSUYJOCSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NC[C@@H](C)Oc2ccccc2OC)n[nH]1 ZINC000276862270 1435238211 /nfs/dbraw/zinc/23/82/11/1435238211.db2.gz KPAKOEGFSHTRPI-BFHYXJOUSA-N 0 1 375.473 3.155 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(C)cc2OCCOC)n[nH]1 ZINC000276863847 1435238399 /nfs/dbraw/zinc/23/83/99/1435238399.db2.gz KRKUSYMLCKGIOT-GJZGRUSLSA-N 0 1 389.500 3.212 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(C)cc2OCCOC)n[nH]1 ZINC000276863849 1435238435 /nfs/dbraw/zinc/23/84/35/1435238435.db2.gz KRKUSYMLCKGIOT-LSDHHAIUSA-N 0 1 389.500 3.212 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276871091 1435238871 /nfs/dbraw/zinc/23/88/71/1435238871.db2.gz LNHOOYUDAVQXOT-VXGBXAGGSA-N 0 1 391.447 3.062 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276871269 1435238945 /nfs/dbraw/zinc/23/89/45/1435238945.db2.gz HHRNMJSYKVPYMQ-AYSSICMYSA-N 0 1 388.468 3.235 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276873512 1435239195 /nfs/dbraw/zinc/23/91/95/1435239195.db2.gz LUVMMOGJOWPBIV-KBPBESRZSA-N 0 1 387.484 3.231 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccccc2CSc2nc[nH]n2)n[nH]1 ZINC000276878909 1435239525 /nfs/dbraw/zinc/23/95/25/1435239525.db2.gz IHQNKWCTMMPWJI-RYUDHWBXSA-N 0 1 385.497 3.220 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2OCc2noc(C)n2)n[nH]1 ZINC000276878877 1435239535 /nfs/dbraw/zinc/23/95/35/1435239535.db2.gz IFMQJJQJFXHRTJ-VXGBXAGGSA-N 0 1 384.440 3.080 20 0 GGADMN CCc1cccc2c1OCC[C@H]2NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276877085 1435239539 /nfs/dbraw/zinc/23/95/39/1435239539.db2.gz ZIARRXNWLUWZFB-MRXNPFEDSA-N 0 1 378.432 3.012 20 0 GGADMN CCc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276877082 1435239553 /nfs/dbraw/zinc/23/95/53/1435239553.db2.gz ZIARRXNWLUWZFB-INIZCTEOSA-N 0 1 378.432 3.012 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2CSc2nc[nH]n2)n[nH]1 ZINC000276878908 1435239566 /nfs/dbraw/zinc/23/95/66/1435239566.db2.gz IHQNKWCTMMPWJI-NWDGAFQWSA-N 0 1 385.497 3.220 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)n[nH]1 ZINC000276883880 1435240269 /nfs/dbraw/zinc/24/02/69/1435240269.db2.gz MSBXSZXILOZLRV-QWRGUYRKSA-N 0 1 389.891 3.419 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)n[nH]1 ZINC000276899283 1435241203 /nfs/dbraw/zinc/24/12/03/1435241203.db2.gz OSIKNYZNQLREIB-AYMQEEERSA-N 0 1 389.500 3.463 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276909274 1435242094 /nfs/dbraw/zinc/24/20/94/1435242094.db2.gz JSXWJHRKFAYVKM-MNOVXSKESA-N 0 1 377.445 3.227 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000276912342 1435242204 /nfs/dbraw/zinc/24/22/04/1435242204.db2.gz KAWSTHVNBVCXFX-IHPCNDPISA-N 0 1 388.487 3.100 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cc(OC)ccc2OC(F)F)n[nH]1 ZINC000276910414 1435242282 /nfs/dbraw/zinc/24/22/82/1435242282.db2.gz QBICSBBCLANJIF-WDEREUQCSA-N 0 1 397.426 3.489 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cc(OC)ccc2OC(F)F)n[nH]1 ZINC000276910403 1435242298 /nfs/dbraw/zinc/24/22/98/1435242298.db2.gz QBICSBBCLANJIF-MNOVXSKESA-N 0 1 397.426 3.489 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)n[nH]1 ZINC000276913587 1435242419 /nfs/dbraw/zinc/24/24/19/1435242419.db2.gz QNVWXEBOJZGQJX-KGLIPLIRSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)n[nH]1 ZINC000276913590 1435242442 /nfs/dbraw/zinc/24/24/42/1435242442.db2.gz QNVWXEBOJZGQJX-UONOGXRCSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000276916561 1435242713 /nfs/dbraw/zinc/24/27/13/1435242713.db2.gz QZOHPEWESAMPNL-ZJUUUORDSA-N 0 1 383.374 3.153 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000276917923 1435242956 /nfs/dbraw/zinc/24/29/56/1435242956.db2.gz KTNCHEGUJDRPNQ-JQHSSLGASA-N 0 1 376.526 3.022 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)n[nH]1 ZINC000276923918 1435243308 /nfs/dbraw/zinc/24/33/08/1435243308.db2.gz LMQWPOLSLCFQLV-AVGNSLFASA-N 0 1 388.472 3.174 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)n[nH]1 ZINC000276928689 1435243949 /nfs/dbraw/zinc/24/39/49/1435243949.db2.gz STJBGHVXKQHXTC-RWSFTLGLSA-N 0 1 381.427 3.344 20 0 GGADMN O=C(c1c(O)cccc1F)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276928461 1435243954 /nfs/dbraw/zinc/24/39/54/1435243954.db2.gz MBDPDXSDXOGFJC-AWEZNQCLSA-N 0 1 375.400 3.176 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000276930755 1435244195 /nfs/dbraw/zinc/24/41/95/1435244195.db2.gz IRKZVFMVBCHBRJ-BEFAXECRSA-N 0 1 392.459 3.094 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)n[nH]1 ZINC000276933606 1435244406 /nfs/dbraw/zinc/24/44/06/1435244406.db2.gz UBYBXXVFVUHHQQ-GHMZBOCLSA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1 ZINC000276941733 1435245371 /nfs/dbraw/zinc/24/53/71/1435245371.db2.gz UUSGPYWAIWLYDR-NEPJUHHUSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000276943905 1435245677 /nfs/dbraw/zinc/24/56/77/1435245677.db2.gz VBQSAWDQJBBBOQ-IHRRRGAJSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)n[nH]1 ZINC000276947346 1435245889 /nfs/dbraw/zinc/24/58/89/1435245889.db2.gz NXBUFQZDDIGSPH-AAEUAGOBSA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)n[nH]1 ZINC000276947350 1435245920 /nfs/dbraw/zinc/24/59/20/1435245920.db2.gz NXBUFQZDDIGSPH-DGCLKSJQSA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1 ZINC000276959020 1435247101 /nfs/dbraw/zinc/24/71/01/1435247101.db2.gz PCIXMMIDFITVGJ-CABCVRRESA-N 0 1 386.500 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1 ZINC000276959032 1435247178 /nfs/dbraw/zinc/24/71/78/1435247178.db2.gz PCIXMMIDFITVGJ-LSDHHAIUSA-N 0 1 386.500 3.033 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)n[nH]1 ZINC000276962926 1435247566 /nfs/dbraw/zinc/24/75/66/1435247566.db2.gz PMELFRXHBMBKJA-NEPJUHHUSA-N 0 1 389.481 3.321 20 0 GGADMN C[C@@H](c1nc(-c2ccc(C(=O)N3CCOCC3)cc2)no1)N1CCCCCC1 ZINC000276969674 1435248420 /nfs/dbraw/zinc/24/84/20/1435248420.db2.gz TZIPJNVVDUOFKV-INIZCTEOSA-N 0 1 384.480 3.146 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000276972855 1435248585 /nfs/dbraw/zinc/24/85/85/1435248585.db2.gz YHJKQGDQBDGXSM-CABCVRRESA-N 0 1 398.511 3.124 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000276972874 1435248592 /nfs/dbraw/zinc/24/85/92/1435248592.db2.gz YHJKQGDQBDGXSM-LSDHHAIUSA-N 0 1 398.511 3.124 20 0 GGADMN CC(C)N(C)c1ccc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cn1 ZINC000276974427 1435248764 /nfs/dbraw/zinc/24/87/64/1435248764.db2.gz QQYPMWASFBEVKS-MRXNPFEDSA-N 0 1 390.553 3.027 20 0 GGADMN O=C(c1[nH]nc2ccccc21)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276975512 1435248770 /nfs/dbraw/zinc/24/87/70/1435248770.db2.gz QSLBEXOAWBJJDF-INIZCTEOSA-N 0 1 381.436 3.207 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)n[nH]1 ZINC000276985150 1435249672 /nfs/dbraw/zinc/24/96/72/1435249672.db2.gz ZWPIDWFMYRUCHN-NXEZZACHSA-N 0 1 386.481 3.052 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)n[nH]1 ZINC000276985159 1435249698 /nfs/dbraw/zinc/24/96/98/1435249698.db2.gz ZWPIDWFMYRUCHN-ZJUUUORDSA-N 0 1 386.481 3.052 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C)sc3c2)n[nH]1 ZINC000276985153 1435249701 /nfs/dbraw/zinc/24/97/01/1435249701.db2.gz ZWPIDWFMYRUCHN-UWVGGRQHSA-N 0 1 386.481 3.052 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)OC)c(F)cc2F)n[nH]1 ZINC000277006195 1435251604 /nfs/dbraw/zinc/25/16/04/1435251604.db2.gz VAIYJDXLWPSUPP-IUCAKERBSA-N 0 1 381.383 3.266 20 0 GGADMN O=C(C[C@@H]1OC(=O)c2ccccc21)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277013169 1435251967 /nfs/dbraw/zinc/25/19/67/1435251967.db2.gz LTZQYQLRJAENMQ-PXNSSMCTSA-N 0 1 396.512 3.022 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)n[nH]1 ZINC000277019585 1435252559 /nfs/dbraw/zinc/25/25/59/1435252559.db2.gz WOOUFLNPDUCDEJ-WCQYABFASA-N 0 1 384.484 3.402 20 0 GGADMN Cc1noc(C[C@H](NC(=O)NC[C@H](c2cccs2)N(C)C)c2ccccc2)n1 ZINC000277042745 1435255601 /nfs/dbraw/zinc/25/56/01/1435255601.db2.gz PJJQWSNLINVYIA-DLBZAZTESA-N 0 1 399.520 3.325 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000277045512 1435255714 /nfs/dbraw/zinc/25/57/14/1435255714.db2.gz ZEJRVWJAZRGCND-XJABCFGWSA-N 0 1 396.535 3.105 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2)n1 ZINC000277046067 1435256066 /nfs/dbraw/zinc/25/60/66/1435256066.db2.gz CCYXUIOEJOLDKK-HNAYVOBHSA-N 0 1 376.460 3.229 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2-n2nc(C)nc2C)n[nH]1 ZINC000277055491 1435257175 /nfs/dbraw/zinc/25/71/75/1435257175.db2.gz ZZZVPKSUCKVKNI-NEPJUHHUSA-N 0 1 382.472 3.398 20 0 GGADMN Cc1noc(C[C@H](NC(=O)NC[C@@H](c2ccsc2)N(C)C)c2ccccc2)n1 ZINC000277057488 1435257374 /nfs/dbraw/zinc/25/73/74/1435257374.db2.gz RCHKEPQQHKYPGI-ROUUACIJSA-N 0 1 399.520 3.325 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)n[nH]1 ZINC000277060705 1435257813 /nfs/dbraw/zinc/25/78/13/1435257813.db2.gz DEOZQYSWFWNFTG-RRFJBIMHSA-N 0 1 391.541 3.270 20 0 GGADMN CCc1c(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cnn1CCC(C)C ZINC000277066850 1435258613 /nfs/dbraw/zinc/25/86/13/1435258613.db2.gz JHNKIQHKLJCCKZ-UHFFFAOYSA-N 0 1 396.488 3.255 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccccc2Cn2cccn2)n[nH]1 ZINC000277074351 1435259337 /nfs/dbraw/zinc/25/93/37/1435259337.db2.gz BUPCAZQYVBPSGC-LSDHHAIUSA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N3CCOCC3)cc2C)n[nH]1 ZINC000277075175 1435259510 /nfs/dbraw/zinc/25/95/10/1435259510.db2.gz RHEOKCQQZGNEHM-ZFWWWQNUSA-N 0 1 386.500 3.346 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000277084810 1435260373 /nfs/dbraw/zinc/26/03/73/1435260373.db2.gz QTISVSRCNOWCDL-HLLQZAQXSA-N 0 1 397.475 3.100 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCCCC3)nc2)n[nH]1 ZINC000277088397 1435260733 /nfs/dbraw/zinc/26/07/33/1435260733.db2.gz CYRFENVBQGGVOC-CABCVRRESA-N 0 1 385.516 3.264 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2(OCc3ccccc3)CCOCC2)n[nH]1 ZINC000277090338 1435261042 /nfs/dbraw/zinc/26/10/42/1435261042.db2.gz PLQSODKYZWUWKT-CVEARBPZSA-N 0 1 386.496 3.261 20 0 GGADMN COC1(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)CCOCC1 ZINC000277091382 1435261150 /nfs/dbraw/zinc/26/11/50/1435261150.db2.gz VFLCDSLITBPEHR-UHFFFAOYSA-N 0 1 375.513 3.109 20 0 GGADMN CCOc1ccc(NC(=O)CN[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277114655 1435263620 /nfs/dbraw/zinc/26/36/20/1435263620.db2.gz HKBYPVAXLOHJNU-LJQANCHMSA-N 0 1 380.448 3.289 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CSCC(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000277114964 1435263750 /nfs/dbraw/zinc/26/37/50/1435263750.db2.gz RXTDGDXBLPPBLL-UONOGXRCSA-N 0 1 389.525 3.176 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2CCN(Cc3csc(C)n3)CC2)n[nH]1 ZINC000277122007 1435264741 /nfs/dbraw/zinc/26/47/41/1435264741.db2.gz STCXQJLKYYSMSW-QWHCGFSZSA-N 0 1 390.557 3.173 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(CN3CCCC3=O)c2)n[nH]1 ZINC000277140993 1435267756 /nfs/dbraw/zinc/26/77/56/1435267756.db2.gz GVXSZHDNUVUVEW-GJZGRUSLSA-N 0 1 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Cc1noc(C[C@@H](N[C@H](C)C(=O)Nc2nc(C)c(C)s2)c2ccccc2)n1 ZINC000277196585 1435277144 /nfs/dbraw/zinc/27/71/44/1435277144.db2.gz DKIZCAKPAUWHAG-MLGOLLRUSA-N 0 1 385.493 3.352 20 0 GGADMN O=C1N[C@H](CC(F)(F)F)C(=O)N1C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000277204984 1435278328 /nfs/dbraw/zinc/27/83/28/1435278328.db2.gz FAMJUINLAZYSGO-KGLIPLIRSA-N 0 1 389.805 3.350 20 0 GGADMN C[C@@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccccn3)CC2)C1=O ZINC000277210629 1435278835 /nfs/dbraw/zinc/27/88/35/1435278835.db2.gz DRWXDHDAPJVWKQ-KRWDZBQOSA-N 0 1 378.476 3.071 20 0 GGADMN C[C@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccccn3)CC2)C1=O ZINC000277210636 1435279021 /nfs/dbraw/zinc/27/90/21/1435279021.db2.gz DRWXDHDAPJVWKQ-QGZVFWFLSA-N 0 1 378.476 3.071 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n[nH]1 ZINC000277213016 1435279154 /nfs/dbraw/zinc/27/91/54/1435279154.db2.gz MOKXVKRAZULHQF-ZOBUZTSGSA-N 0 1 398.511 3.042 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n[nH]1 ZINC000277213015 1435279206 /nfs/dbraw/zinc/27/92/06/1435279206.db2.gz MOKXVKRAZULHQF-ZMSDIMECSA-N 0 1 398.511 3.042 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n[nH]1 ZINC000277213014 1435279347 /nfs/dbraw/zinc/27/93/47/1435279347.db2.gz MOKXVKRAZULHQF-YQQAZPJKSA-N 0 1 398.511 3.042 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n[nH]1 ZINC000277213013 1435279350 /nfs/dbraw/zinc/27/93/50/1435279350.db2.gz MOKXVKRAZULHQF-UXLLHSPISA-N 0 1 398.511 3.042 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)N2CCc3ccccc3C2)c2ccccc2)n1 ZINC000277220286 1435280292 /nfs/dbraw/zinc/28/02/92/1435280292.db2.gz FYVIGRUZAJZFBN-IERDGZPVSA-N 0 1 390.487 3.225 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)n1 ZINC000277224888 1435280962 /nfs/dbraw/zinc/28/09/62/1435280962.db2.gz YBRDHRZFOHLVJX-IFXJQAMLSA-N 0 1 385.489 3.416 20 0 GGADMN COc1cccc(C[NH2+][C@H](CC(=O)[O-])c2cccc(OC)c2OC)c1OC ZINC000277232721 1435282537 /nfs/dbraw/zinc/28/25/37/1435282537.db2.gz IPZQRRAERINEGH-OAHLLOKOSA-N 0 1 375.421 3.027 20 0 GGADMN CC(C)c1c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cnn1-c1ccccc1 ZINC000277236967 1435282855 /nfs/dbraw/zinc/28/28/55/1435282855.db2.gz ORQWQZYQNROMNB-QGZVFWFLSA-N 0 1 399.539 3.305 20 0 GGADMN Cc1noc(C[C@@H](NC[C@@H]2CN(c3ccccc3)C(=O)O2)c2ccccc2)n1 ZINC000277239613 1435283357 /nfs/dbraw/zinc/28/33/57/1435283357.db2.gz PIXOTCWVEVCCMK-RTBURBONSA-N 0 1 378.432 3.277 20 0 GGADMN Cn1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2c1=O ZINC000277240891 1435283613 /nfs/dbraw/zinc/28/36/13/1435283613.db2.gz OJZXATKOIKLYJZ-LJQANCHMSA-N 0 1 379.460 3.089 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCc2cnn(-c3ccccc3)c2)n[nH]1 ZINC000277243313 1435284005 /nfs/dbraw/zinc/28/40/05/1435284005.db2.gz PFLHCXDIFHOSFZ-CABCVRRESA-N 0 1 381.484 3.107 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCc2cnn(-c3ccccc3)c2)n[nH]1 ZINC000277243315 1435284164 /nfs/dbraw/zinc/28/41/64/1435284164.db2.gz PFLHCXDIFHOSFZ-HUUCEWRRSA-N 0 1 381.484 3.107 20 0 GGADMN COCCN1CC[C@@H](NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000277264109 1435286603 /nfs/dbraw/zinc/28/66/03/1435286603.db2.gz NRBGEGUQYGUHRN-OAHLLOKOSA-N 0 1 397.397 3.119 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)n1 ZINC000277268567 1435287314 /nfs/dbraw/zinc/28/73/14/1435287314.db2.gz RMWYNQVFTUINBB-GOSISDBHSA-N 0 1 394.479 3.202 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000277271639 1435287523 /nfs/dbraw/zinc/28/75/23/1435287523.db2.gz UAFMGGKKKIXPLW-QRWLVFNGSA-N 0 1 395.478 3.125 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccccc2CN2CCCC2=O)n[nH]1 ZINC000277274985 1435287984 /nfs/dbraw/zinc/28/79/84/1435287984.db2.gz RXAVYJDJNPHQGR-LSDHHAIUSA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000277277280 1435288249 /nfs/dbraw/zinc/28/82/49/1435288249.db2.gz RZNFWUGGRVIRBG-KGLIPLIRSA-N 0 1 384.484 3.005 20 0 GGADMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)[nH]1 ZINC000277279136 1435288628 /nfs/dbraw/zinc/28/86/28/1435288628.db2.gz QKBLMMSCDWQPTN-BFHYXJOUSA-N 0 1 389.500 3.403 20 0 GGADMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)[nH]1 ZINC000277279140 1435288825 /nfs/dbraw/zinc/28/88/25/1435288825.db2.gz QKBLMMSCDWQPTN-IHRRRGAJSA-N 0 1 389.500 3.403 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 ZINC000277289336 1435289964 /nfs/dbraw/zinc/28/99/64/1435289964.db2.gz STUWRKQWGQLNIC-KKUMJFAQSA-N 0 1 388.491 3.344 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1(C)C ZINC000277314642 1435293013 /nfs/dbraw/zinc/29/30/13/1435293013.db2.gz KUBFAABPJGNDRF-RLLQIKCJSA-N 0 1 386.536 3.035 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](c2nccn2C)c2ccccc2F)n[nH]1 ZINC000277359173 1435298121 /nfs/dbraw/zinc/29/81/21/1435298121.db2.gz YMOZFGCEZCQQJU-HEHGZKQESA-N 0 1 399.474 3.341 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CC3(OC)CCC3)CC2)c1C ZINC000277357902 1435298194 /nfs/dbraw/zinc/29/81/94/1435298194.db2.gz YCYUKXQFURHPHO-UHFFFAOYSA-N 0 1 389.540 3.089 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)c2)oc1C ZINC000277385966 1435300749 /nfs/dbraw/zinc/30/07/49/1435300749.db2.gz BLNUNLFVZKBIRH-LJQANCHMSA-N 0 1 396.491 3.030 20 0 GGADMN Cc1noc(Cl)c1CCC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277392581 1435301248 /nfs/dbraw/zinc/30/12/48/1435301248.db2.gz RJJLQRKNVYJMQO-INIZCTEOSA-N 0 1 393.940 3.303 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)n1 ZINC000277420962 1435303534 /nfs/dbraw/zinc/30/35/34/1435303534.db2.gz PJKYUQBYAAHENY-LRDDRELGSA-N 0 1 385.855 3.327 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)n1 ZINC000277420968 1435303544 /nfs/dbraw/zinc/30/35/44/1435303544.db2.gz PJKYUQBYAAHENY-MLGOLLRUSA-N 0 1 385.855 3.327 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCC(=O)c2ccc(OC)c(F)c2)n[nH]1 ZINC000277422653 1435303797 /nfs/dbraw/zinc/30/37/97/1435303797.db2.gz BCGQNWZBXDENMS-RYUDHWBXSA-N 0 1 376.432 3.306 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCC(=O)c2ccc(OC)c(F)c2)n[nH]1 ZINC000277422650 1435303824 /nfs/dbraw/zinc/30/38/24/1435303824.db2.gz BCGQNWZBXDENMS-NWDGAFQWSA-N 0 1 376.432 3.306 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](Cc2nc(C)no2)c2ccccc2)C1=O ZINC000277428076 1435303973 /nfs/dbraw/zinc/30/39/73/1435303973.db2.gz PUFDFAKDUDEXIV-ROUUACIJSA-N 0 1 392.459 3.066 20 0 GGADMN CCCOc1c(Cl)cc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])cc1OC ZINC000277431141 1435304207 /nfs/dbraw/zinc/30/42/07/1435304207.db2.gz UAWCWMCJHKRVDU-INIZCTEOSA-N 0 1 384.904 3.166 20 0 GGADMN CCCOc1c(Cl)cc(CN[C@H](C[NH+]2CCCCC2)C(=O)[O-])cc1OC ZINC000277431149 1435304217 /nfs/dbraw/zinc/30/42/17/1435304217.db2.gz UAWCWMCJHKRVDU-MRXNPFEDSA-N 0 1 384.904 3.166 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)n[nH]1 ZINC000277436123 1435304711 /nfs/dbraw/zinc/30/47/11/1435304711.db2.gz NWCRTYZOLMTAIN-KBPBESRZSA-N 0 1 386.500 3.473 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)cc2)cs1 ZINC000277459178 1435306146 /nfs/dbraw/zinc/30/61/46/1435306146.db2.gz ISDQLWAOWNVUKC-SFHVURJKSA-N 0 1 398.532 3.190 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000277468750 1435306513 /nfs/dbraw/zinc/30/65/13/1435306513.db2.gz JLYQCYAVIYVMJQ-UHFFFAOYSA-N 0 1 388.489 3.235 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(-c2nnc3n2CCC3)cc1 ZINC000277476706 1435307243 /nfs/dbraw/zinc/30/72/43/1435307243.db2.gz KHDDKJIHAQEWFX-UHFFFAOYSA-N 0 1 398.488 3.318 20 0 GGADMN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1c[nH]c2ccccc2c1=O ZINC000277476393 1435307288 /nfs/dbraw/zinc/30/72/88/1435307288.db2.gz ZOZZBTRHDMVZAF-QGZVFWFLSA-N 0 1 393.512 3.288 20 0 GGADMN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cccc(OC)c2OC)c(OC)c1 ZINC000277478419 1435307306 /nfs/dbraw/zinc/30/73/06/1435307306.db2.gz WMAUSVABLGMNLR-INIZCTEOSA-N 0 1 375.421 3.027 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(F)cc2S(=O)(=O)CC)n[nH]1 ZINC000277484357 1435307729 /nfs/dbraw/zinc/30/77/29/1435307729.db2.gz SRAFMMSUQTUYOK-WDEREUQCSA-N 0 1 397.476 3.134 20 0 GGADMN CC[C@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccncc3)CC2)C1=O ZINC000277490315 1435308151 /nfs/dbraw/zinc/30/81/51/1435308151.db2.gz VZYGUMKPKVYJEN-OAQYLSRUSA-N 0 1 392.503 3.462 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)n[nH]1 ZINC000277503364 1435308838 /nfs/dbraw/zinc/30/88/38/1435308838.db2.gz VMMAOEYUAOQTFD-OLZOCXBDSA-N 0 1 397.487 3.300 20 0 GGADMN CC(=O)Nc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1F ZINC000277513077 1435309420 /nfs/dbraw/zinc/30/94/20/1435309420.db2.gz UNUQAZIQBKGQQP-KRWDZBQOSA-N 0 1 375.469 3.413 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277523079 1435310180 /nfs/dbraw/zinc/31/01/80/1435310180.db2.gz XBPBMSJIBSIZTA-VBKZILBWSA-N 0 1 392.459 3.481 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277523076 1435310239 /nfs/dbraw/zinc/31/02/39/1435310239.db2.gz XBPBMSJIBSIZTA-JLTOFOAXSA-N 0 1 392.459 3.481 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)n1 ZINC000277535822 1435311077 /nfs/dbraw/zinc/31/10/77/1435311077.db2.gz XXHOKZAHBUNYLN-DYVFJYSZSA-N 0 1 394.431 3.007 20 0 GGADMN Cc1coc(-c2cc(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)ccc2C)n1 ZINC000277536363 1435311118 /nfs/dbraw/zinc/31/11/18/1435311118.db2.gz PHBPKYIBWWOGNF-SFHVURJKSA-N 0 1 396.491 3.030 20 0 GGADMN Cc1coc(-c2cc(NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)ccc2C)n1 ZINC000277536359 1435311176 /nfs/dbraw/zinc/31/11/76/1435311176.db2.gz PHBPKYIBWWOGNF-GOSISDBHSA-N 0 1 396.491 3.030 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000277540833 1435311442 /nfs/dbraw/zinc/31/14/42/1435311442.db2.gz PTBMINYJLYJBOW-UHFFFAOYSA-N 0 1 390.461 3.378 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000277542565 1435311674 /nfs/dbraw/zinc/31/16/74/1435311674.db2.gz PUOLCGIXSNENQA-UHFFFAOYSA-N 0 1 376.478 3.123 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(NC(C)=O)c(F)c2)N2CCCC2)c1 ZINC000277546118 1435311766 /nfs/dbraw/zinc/31/17/66/1435311766.db2.gz XEULCAYDTJYZLP-NRFANRHFSA-N 0 1 399.466 3.360 20 0 GGADMN O=C1N[C@H](c2cccc(O)c2)C(=O)N1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000277546602 1435311888 /nfs/dbraw/zinc/31/18/88/1435311888.db2.gz WHJFKKIGQCDMHO-LJQANCHMSA-N 0 1 399.878 3.303 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)N2CCc3sccc3C2)c2ccccc2)n1 ZINC000277557043 1435312819 /nfs/dbraw/zinc/31/28/19/1435312819.db2.gz ZIHULVNVBDHIKE-KSSFIOAISA-N 0 1 396.516 3.286 20 0 GGADMN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cnc(Cl)c(F)c1 ZINC000277575790 1435313928 /nfs/dbraw/zinc/31/39/28/1435313928.db2.gz FMEGXJMPNRDADC-AWEZNQCLSA-N 0 1 396.831 3.403 20 0 GGADMN CC(C)(C)c1nc2cc(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)ccc2o1 ZINC000277575569 1435313945 /nfs/dbraw/zinc/31/39/45/1435313945.db2.gz UBXWODLDCBIQAQ-INIZCTEOSA-N 0 1 398.507 3.197 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(C)sn3)CC2)c1C ZINC000277582492 1435314255 /nfs/dbraw/zinc/31/42/55/1435314255.db2.gz KQVQSBQROFJLLX-UHFFFAOYSA-N 0 1 388.537 3.209 20 0 GGADMN CCc1ccccc1CCN1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000277607181 1435316119 /nfs/dbraw/zinc/31/61/19/1435316119.db2.gz FMTKUBNBQLAWPU-UHFFFAOYSA-N 0 1 381.520 3.056 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)CN(Cc3ccccc3)C2=O)CC1 ZINC000277647892 1435318943 /nfs/dbraw/zinc/31/89/43/1435318943.db2.gz LRPCUHOOWNVUPQ-KRWDZBQOSA-N 0 1 378.476 3.071 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)[C@H](c3ccccc3)N(C)C2=O)CC1 ZINC000277662226 1435320111 /nfs/dbraw/zinc/32/01/11/1435320111.db2.gz NADMRASKVAMYTM-JXFKEZNVSA-N 0 1 378.476 3.242 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)n[nH]1 ZINC000277684982 1435321775 /nfs/dbraw/zinc/32/17/75/1435321775.db2.gz CIZJTPDYVTWXLU-MNOVXSKESA-N 0 1 392.529 3.179 20 0 GGADMN FC(F)(F)c1cnc([C@@H]2CCCN(Cc3noc(C4CCOCC4)n3)C2)[nH]1 ZINC000277689116 1435322165 /nfs/dbraw/zinc/32/21/65/1435322165.db2.gz BSLZCDUVJICOCU-GFCCVEGCSA-N 0 1 385.390 3.085 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NC1CC(F)(F)C1 ZINC000277699146 1435322813 /nfs/dbraw/zinc/32/28/13/1435322813.db2.gz XXPMPHRDAPOTSE-UHFFFAOYSA-N 0 1 381.448 3.160 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)n[nH]1 ZINC000277705352 1435323237 /nfs/dbraw/zinc/32/32/37/1435323237.db2.gz DVFTUAIFZZTBLG-HUUCEWRRSA-N 0 1 385.512 3.424 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)n[nH]1 ZINC000277705215 1435323303 /nfs/dbraw/zinc/32/33/03/1435323303.db2.gz DTXYRTFQVFYKFC-MPGHIAIKSA-N 0 1 383.496 3.249 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)n[nH]1 ZINC000277718449 1435324192 /nfs/dbraw/zinc/32/41/92/1435324192.db2.gz FQBRAATVLORGHL-TZMCWYRMSA-N 0 1 394.479 3.181 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277727274 1435325030 /nfs/dbraw/zinc/32/50/30/1435325030.db2.gz GCMHDAXLXUBHPJ-QWHCGFSZSA-N 0 1 397.479 3.043 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277743119 1435326370 /nfs/dbraw/zinc/32/63/70/1435326370.db2.gz HBPJAWHXFFTEGQ-INMHGKMJSA-N 0 1 385.512 3.023 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCOc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277745431 1435326521 /nfs/dbraw/zinc/32/65/21/1435326521.db2.gz HICAUVPSMMURHW-HOCLYGCPSA-N 0 1 386.496 3.486 20 0 GGADMN Cc1cc([C@@H]2NC(=O)N(C3CCN([C@@H](C)c4ccncc4)CC3)C2=O)ccc1F ZINC000277752159 1435327002 /nfs/dbraw/zinc/32/70/02/1435327002.db2.gz VITFLFRDMWXEKJ-YWZLYKJASA-N 0 1 396.466 3.348 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CSCC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000277752904 1435327191 /nfs/dbraw/zinc/32/71/91/1435327191.db2.gz HTSULGFVNZUAIG-ZIAGYGMSSA-N 0 1 389.525 3.176 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CSCC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000277752895 1435327219 /nfs/dbraw/zinc/32/72/19/1435327219.db2.gz HTSULGFVNZUAIG-UONOGXRCSA-N 0 1 389.525 3.176 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC2CC(F)(F)C2)CC1 ZINC000277756575 1435327528 /nfs/dbraw/zinc/32/75/28/1435327528.db2.gz WTAPZFKHDNWLTG-CYBMUJFWSA-N 0 1 384.446 3.126 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)CN(CCc3ccccc3)C2=O)CC1 ZINC000277774565 1435329107 /nfs/dbraw/zinc/32/91/07/1435329107.db2.gz XCMZBFOIFYRQEO-SFHVURJKSA-N 0 1 392.503 3.114 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)CN(CCc3ccccc3)C2=O)CC1 ZINC000277774559 1435329124 /nfs/dbraw/zinc/32/91/24/1435329124.db2.gz XCMZBFOIFYRQEO-GOSISDBHSA-N 0 1 392.503 3.114 20 0 GGADMN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000277780748 1435329760 /nfs/dbraw/zinc/32/97/60/1435329760.db2.gz MDTYYPJARYQPBG-ZDUSSCGKSA-N 0 1 392.456 3.155 20 0 GGADMN C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277784734 1435330230 /nfs/dbraw/zinc/33/02/30/1435330230.db2.gz OANQKABHMGOTSV-SKDZVZGDSA-N 0 1 386.883 3.497 20 0 GGADMN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000277797460 1435331283 /nfs/dbraw/zinc/33/12/83/1435331283.db2.gz TVWYUBRTIQPGEC-UHFFFAOYSA-N 0 1 389.521 3.312 20 0 GGADMN CC[C@]1(c2ccccc2)NC(=O)N(C2CCN([C@@H](C)c3ccncc3)CC2)C1=O ZINC000277813482 1435332770 /nfs/dbraw/zinc/33/27/70/1435332770.db2.gz ZYAPBHHUUMFLGQ-GAJHUEQPSA-N 0 1 392.503 3.464 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)n[nH]1 ZINC000277812406 1435332823 /nfs/dbraw/zinc/33/28/23/1435332823.db2.gz LFUXYPUYWQVYGJ-SCRDCRAPSA-N 0 1 377.514 3.012 20 0 GGADMN COc1cc(-c2nc(-c3cscc3C)no2)cc(NS(C)(=O)=O)c1OC ZINC000277819266 1435333470 /nfs/dbraw/zinc/33/34/70/1435333470.db2.gz AZCRTQSDOVCOSE-UHFFFAOYSA-N 0 1 395.462 3.162 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(-c2nc(CCc3ccc4c(c3)CCO4)no2)[nH]n1 ZINC000277860964 1435337081 /nfs/dbraw/zinc/33/70/81/1435337081.db2.gz HOSHQPDSGQHGLB-UHFFFAOYSA-N 0 1 390.447 3.197 20 0 GGADMN Cc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1OCC1CCOCC1 ZINC000277870436 1435337890 /nfs/dbraw/zinc/33/78/90/1435337890.db2.gz AVGLAURXUABHPG-CQSZACIVSA-N 0 1 386.370 3.178 20 0 GGADMN CCOC(=O)c1cnc(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c(Cl)c1 ZINC000277878279 1435338585 /nfs/dbraw/zinc/33/85/85/1435338585.db2.gz PBGMPVZSFQIOBZ-VHSXEESVSA-N 0 1 379.848 3.034 20 0 GGADMN CCn1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1-c1ccccc1 ZINC000277885542 1435339080 /nfs/dbraw/zinc/33/90/80/1435339080.db2.gz PYJXYJPUNSLCBR-UHFFFAOYSA-N 0 1 389.503 3.359 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277885309 1435339137 /nfs/dbraw/zinc/33/91/37/1435339137.db2.gz PXBIJYXQFIHIIR-UHFFFAOYSA-N 0 1 380.423 3.432 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(OCc3noc(C)n3)c2)n[nH]1 ZINC000277886274 1435339293 /nfs/dbraw/zinc/33/92/93/1435339293.db2.gz PODOSCXWXRUKTA-NWDGAFQWSA-N 0 1 384.440 3.080 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(CSc3nccn3C)o2)n[nH]1 ZINC000277891616 1435339777 /nfs/dbraw/zinc/33/97/77/1435339777.db2.gz PXXMYQDNSDOFHM-NWDGAFQWSA-N 0 1 388.497 3.428 20 0 GGADMN O=C(c1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1)N1CCCCC1 ZINC000277900857 1435340821 /nfs/dbraw/zinc/34/08/21/1435340821.db2.gz WSXDARPVDLDELT-MSOLQXFVSA-N 0 1 384.442 3.448 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277926079 1435342905 /nfs/dbraw/zinc/34/29/05/1435342905.db2.gz RQQXCUAFDFVJLI-NUEKZKHPSA-N 0 1 386.496 3.485 20 0 GGADMN Cc1cnccc1OC1CCN(C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000277929882 1435343373 /nfs/dbraw/zinc/34/33/73/1435343373.db2.gz FUJMBCDTHXTWBC-QGZVFWFLSA-N 0 1 388.537 3.307 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)n[nH]1 ZINC000277984730 1435347859 /nfs/dbraw/zinc/34/78/59/1435347859.db2.gz VZUABWULWMHANP-OBJOEFQTSA-N 0 1 399.524 3.169 20 0 GGADMN COc1cccc(-c2cc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)[nH]n2)c1 ZINC000278005139 1435349580 /nfs/dbraw/zinc/34/95/80/1435349580.db2.gz IUOLYVYRXJILOG-RDTXWAMCSA-N 0 1 381.436 3.061 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)n[nH]1 ZINC000278005810 1435349677 /nfs/dbraw/zinc/34/96/77/1435349677.db2.gz XCWNZBQKHAXOFN-VHSXEESVSA-N 0 1 398.410 3.428 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000278008754 1435349788 /nfs/dbraw/zinc/34/97/88/1435349788.db2.gz XGLVIYCLMZNTFP-WCJKSRRJSA-N 0 1 397.523 3.438 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000278008747 1435349822 /nfs/dbraw/zinc/34/98/22/1435349822.db2.gz XGLVIYCLMZNTFP-PONJGIIJSA-N 0 1 397.523 3.438 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278008776 1435349855 /nfs/dbraw/zinc/34/98/55/1435349855.db2.gz SHANWHXAUKLWEA-UHFFFAOYSA-N 0 1 379.382 3.430 20 0 GGADMN C[C@@H]1C(=O)N([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C(=O)N1C1CC1 ZINC000278019844 1435350864 /nfs/dbraw/zinc/35/08/64/1435350864.db2.gz VCYCIRLMVSPRBD-WBMJQRKESA-N 0 1 381.398 3.095 20 0 GGADMN C[C@H]1C(=O)N([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C(=O)N1C1CC1 ZINC000278019835 1435350914 /nfs/dbraw/zinc/35/09/14/1435350914.db2.gz VCYCIRLMVSPRBD-LRDDRELGSA-N 0 1 381.398 3.095 20 0 GGADMN COc1cc(SC)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000278024406 1435351357 /nfs/dbraw/zinc/35/13/57/1435351357.db2.gz GREHYSCFWQOOQL-UHFFFAOYSA-N 0 1 392.502 3.127 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cnn(-c3ccccc3)c2COC)n[nH]1 ZINC000278025817 1435351416 /nfs/dbraw/zinc/35/14/16/1435351416.db2.gz YJAPZMMFNUVVGP-KBPBESRZSA-N 0 1 382.468 3.141 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)CC2)n[nH]1 ZINC000278036241 1435352511 /nfs/dbraw/zinc/35/25/11/1435352511.db2.gz KNJIBNYHAREBEW-IBGZPJMESA-N 0 1 396.491 3.083 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)n[nH]1 ZINC000278043658 1435353180 /nfs/dbraw/zinc/35/31/80/1435353180.db2.gz ZOOUFMSJKNBOAF-MQIPJXDCSA-N 0 1 391.903 3.416 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)n[nH]1 ZINC000278043650 1435353193 /nfs/dbraw/zinc/35/31/93/1435353193.db2.gz ZOOUFMSJKNBOAF-HWWQOWPSSA-N 0 1 391.903 3.416 20 0 GGADMN CCOc1cc(-c2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)ccc1O ZINC000278057002 1435354745 /nfs/dbraw/zinc/35/47/45/1435354745.db2.gz LSYQAZKEHSINHG-UHFFFAOYSA-N 0 1 380.408 3.248 20 0 GGADMN Cc1cc(Cc2nc(CC(=O)Nc3ccc(SC(F)F)cc3)no2)[nH]n1 ZINC000278095403 1435358859 /nfs/dbraw/zinc/35/88/59/1435358859.db2.gz XYZFOCHAYQUPAV-UHFFFAOYSA-N 0 1 379.392 3.188 20 0 GGADMN COc1ccc(NC(=O)Cc2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc1OC ZINC000278123161 1435361987 /nfs/dbraw/zinc/36/19/87/1435361987.db2.gz RDAKENBMIUYMCM-MJBXVCDLSA-N 0 1 388.468 3.202 20 0 GGADMN COC(=O)c1cc(CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c[nH]1 ZINC000278126533 1435362193 /nfs/dbraw/zinc/36/21/93/1435362193.db2.gz BQQTXMXNTPHJKV-UHFFFAOYSA-N 0 1 382.382 3.304 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278154638 1435364639 /nfs/dbraw/zinc/36/46/39/1435364639.db2.gz SYVDEKMSHRIZKS-GFCCVEGCSA-N 0 1 387.358 3.089 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc32)cc1C(=O)N(C)C(C)C ZINC000278181098 1435367227 /nfs/dbraw/zinc/36/72/27/1435367227.db2.gz 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O=C(COc1ccccc1CN[C@H]1CCCc2occc21)NC[C@@H]1CCCO1 ZINC000278253519 1435373701 /nfs/dbraw/zinc/37/37/01/1435373701.db2.gz MURNMSFUUBTZHG-HKUYNNGSSA-N 0 1 384.476 3.121 20 0 GGADMN Cc1cccc(-c2cncc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)c2)c1 ZINC000278285545 1435376378 /nfs/dbraw/zinc/37/63/78/1435376378.db2.gz AVVUMVQYQNGZIJ-GOSISDBHSA-N 0 1 379.504 3.382 20 0 GGADMN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278306056 1435378114 /nfs/dbraw/zinc/37/81/14/1435378114.db2.gz CEWSYNTXUNQHRH-RYUDHWBXSA-N 0 1 388.434 3.075 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(C2SCCS2)cc1 ZINC000278321634 1435379759 /nfs/dbraw/zinc/37/97/59/1435379759.db2.gz FAFMFXKNRJOZJY-OAHLLOKOSA-N 0 1 392.590 3.491 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000278322124 1435379811 /nfs/dbraw/zinc/37/98/11/1435379811.db2.gz KPFMYVIISCBCAS-ABSDTBQOSA-N 0 1 375.513 3.167 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000278329180 1435380492 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ICVGYNVSEHVUBI-OAHLLOKOSA-N 0 1 385.533 3.444 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)C2)CC1 ZINC000278834660 1435428820 /nfs/dbraw/zinc/42/88/20/1435428820.db2.gz DKRBCFKFGSBSSY-QGZVFWFLSA-N 0 1 386.471 3.329 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)C2)CC1 ZINC000278834653 1435428897 /nfs/dbraw/zinc/42/88/97/1435428897.db2.gz DKRBCFKFGSBSSY-KRWDZBQOSA-N 0 1 386.471 3.329 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000278849685 1435430691 /nfs/dbraw/zinc/43/06/91/1435430691.db2.gz LYQKSRVYVQIEBK-INIZCTEOSA-N 0 1 385.533 3.059 20 0 GGADMN Cn1ccnc(N2CCC[C@@H](N[C@H]3CC4(CCCC4)Oc4ccccc43)C2)c1=O ZINC000278860867 1435432156 /nfs/dbraw/zinc/43/21/56/1435432156.db2.gz AXGNIFOSZAZDCS-MJGOQNOKSA-N 0 1 394.519 3.175 20 0 GGADMN Cn1ccnc(N2CCC[C@H](N[C@H]3CC4(CCCC4)Oc4ccccc43)C2)c1=O ZINC000278860854 1435432331 /nfs/dbraw/zinc/43/23/31/1435432331.db2.gz AXGNIFOSZAZDCS-HKUYNNGSSA-N 0 1 394.519 3.175 20 0 GGADMN 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1 375.904 3.049 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccnn1-c1ccccc1 ZINC000279725376 1435535288 /nfs/dbraw/zinc/53/52/88/1435535288.db2.gz MYOYMCFSQVQWEA-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@](C)(OC)CC1)N1CCCC1 ZINC000279728993 1435535892 /nfs/dbraw/zinc/53/58/92/1435535892.db2.gz VSEYCGJOBFLVHJ-KNQAVFIVSA-N 0 1 389.540 3.433 20 0 GGADMN Cc1onc(-c2ccccc2C)c1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000279754622 1435538706 /nfs/dbraw/zinc/53/87/06/1435538706.db2.gz AWWUFLWITSAHKJ-MRXNPFEDSA-N 0 1 383.492 3.284 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCN1C1CC1 ZINC000279761424 1435539681 /nfs/dbraw/zinc/53/96/81/1435539681.db2.gz RGRDLXPBIWWCRY-MRXNPFEDSA-N 0 1 383.414 3.119 20 0 GGADMN C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC2(CCOCC2)O1 ZINC000279767638 1435540379 /nfs/dbraw/zinc/54/03/79/1435540379.db2.gz MTQVVVONKAWKTD-AWEZNQCLSA-N 0 1 377.872 3.202 20 0 GGADMN C[C@H]1CN(CCc2nc(-c3cccc(Cl)c3)no2)CC2(CCOCC2)O1 ZINC000279767638 1435540382 /nfs/dbraw/zinc/54/03/82/1435540382.db2.gz MTQVVVONKAWKTD-AWEZNQCLSA-N 0 1 377.872 3.202 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2OC)s1 ZINC000279771480 1435540659 /nfs/dbraw/zinc/54/06/59/1435540659.db2.gz AITGWLDBHGIURQ-ZDUSSCGKSA-N 0 1 396.534 3.057 20 0 GGADMN C[C@@H]1c2cccn2CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279796935 1435544537 /nfs/dbraw/zinc/54/45/37/1435544537.db2.gz VSIRHRLTKSRKPH-CABCVRRESA-N 0 1 399.495 3.153 20 0 GGADMN COc1cc(-c2noc(C[N@H+]3CCCC[C@@H]3C[C@H](C)O)n2)ccc1OC(F)F ZINC000279809423 1435545841 /nfs/dbraw/zinc/54/58/41/1435545841.db2.gz PTMBCELUHDZDMM-GXTWGEPZSA-N 0 1 397.422 3.472 20 0 GGADMN COc1cc(-c2noc(CN3CCCC[C@@H]3C[C@H](C)O)n2)ccc1OC(F)F ZINC000279809423 1435545842 /nfs/dbraw/zinc/54/58/42/1435545842.db2.gz PTMBCELUHDZDMM-GXTWGEPZSA-N 0 1 397.422 3.472 20 0 GGADMN CN(Cc1cc(-c2ccccc2)no1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279810950 1435546132 /nfs/dbraw/zinc/54/61/32/1435546132.db2.gz XGSDBKSAZKFDDO-HKUYNNGSSA-N 0 1 383.471 3.120 20 0 GGADMN C[C@@H]1OCC[C@]12C[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829233 1435548059 /nfs/dbraw/zinc/54/80/59/1435548059.db2.gz QZBUQLGJKXTMCL-TYILLQQXSA-N 0 1 377.872 3.201 20 0 GGADMN C[C@@H]1OCC[C@]12CN(CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829233 1435548061 /nfs/dbraw/zinc/54/80/61/1435548061.db2.gz QZBUQLGJKXTMCL-TYILLQQXSA-N 0 1 377.872 3.201 20 0 GGADMN Cc1nn(C(C)(C)C)c(C)c1CN(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279838764 1435549560 /nfs/dbraw/zinc/54/95/60/1435549560.db2.gz HKVTXDUHWPGHPQ-HKUYNNGSSA-N 0 1 390.551 3.033 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)[nH]1 ZINC000279840043 1435549969 /nfs/dbraw/zinc/54/99/69/1435549969.db2.gz RUEWHGKFANEMKT-UHFFFAOYSA-N 0 1 384.509 3.117 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc3nccnc3cc2F)[nH]1 ZINC000279858528 1435553426 /nfs/dbraw/zinc/55/34/26/1435553426.db2.gz BLLAKMGAFPAWNH-UHFFFAOYSA-N 0 1 385.399 3.264 20 0 GGADMN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000279909053 1435561591 /nfs/dbraw/zinc/56/15/91/1435561591.db2.gz WOMLGVVKQXXJMR-IRXDYDNUSA-N 0 1 385.508 3.445 20 0 GGADMN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000279909057 1435561632 /nfs/dbraw/zinc/56/16/32/1435561632.db2.gz WOMLGVVKQXXJMR-SJORKVTESA-N 0 1 385.508 3.445 20 0 GGADMN CCN(CC)[C@@H](C(=O)NCc1ccc(NC(=O)N(C)C)cc1)c1ccccc1 ZINC000279952464 1435568611 /nfs/dbraw/zinc/56/86/11/1435568611.db2.gz GQQRYHLICWHLOT-HXUWFJFHSA-N 0 1 382.508 3.479 20 0 GGADMN Cc1ccccc1-n1nccc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000279957234 1435569250 /nfs/dbraw/zinc/56/92/50/1435569250.db2.gz PFMONOWMNLIUMO-UHFFFAOYSA-N 0 1 376.508 3.488 20 0 GGADMN Cc1ccc(CS(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)c(F)c1 ZINC000279958130 1435569384 /nfs/dbraw/zinc/56/93/84/1435569384.db2.gz BWEAJEAEMGYVFK-UHFFFAOYSA-N 0 1 380.485 3.153 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)n[nH]1 ZINC000279987912 1435573139 /nfs/dbraw/zinc/57/31/39/1435573139.db2.gz ZVKAJAVGVQCOIJ-UHFFFAOYSA-N 0 1 397.323 3.384 20 0 GGADMN CC[C@@](C)(OC)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000280020800 1435578077 /nfs/dbraw/zinc/57/80/77/1435578077.db2.gz JXXLQZFRTJLPMV-JOCHJYFZSA-N 0 1 382.508 3.157 20 0 GGADMN C[C@@H]1C(=O)CC[C@H]1CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000280022754 1435578174 /nfs/dbraw/zinc/57/81/74/1435578174.db2.gz FQOUEKRIOUVHSX-HOTGVXAUSA-N 0 1 392.927 3.305 20 0 GGADMN O=C(Nc1ccc(C2CCC2)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000280042607 1435581516 /nfs/dbraw/zinc/58/15/16/1435581516.db2.gz ZOXLBUVIRFWLDY-UHFFFAOYSA-N 0 1 392.503 3.068 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)C1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000280040860 1435581779 /nfs/dbraw/zinc/58/17/79/1435581779.db2.gz MBOZDJCVCBTUIX-MRXNPFEDSA-N 0 1 391.531 3.208 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)CC2 ZINC000280044107 1435582086 /nfs/dbraw/zinc/58/20/86/1435582086.db2.gz JBBUKLHEBWBKCP-ZDUSSCGKSA-N 0 1 380.366 3.337 20 0 GGADMN O=C(CCc1cnccn1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000280053532 1435583753 /nfs/dbraw/zinc/58/37/53/1435583753.db2.gz WGUFRYTUHFUBDT-UHFFFAOYSA-N 0 1 392.425 3.163 20 0 GGADMN O=C(CCc1cnccn1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000280053532 1435583754 /nfs/dbraw/zinc/58/37/54/1435583754.db2.gz WGUFRYTUHFUBDT-UHFFFAOYSA-N 0 1 392.425 3.163 20 0 GGADMN CCC[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@H](O)c1ccccc1 ZINC000280100418 1435592622 /nfs/dbraw/zinc/59/26/22/1435592622.db2.gz XGDPBMMHAGJUBR-FGZHOGPDSA-N 0 1 396.535 3.248 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)C(C)(C)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000280101025 1435592940 /nfs/dbraw/zinc/59/29/40/1435592940.db2.gz UPCWNRIEPPBAEE-ROUUACIJSA-N 0 1 388.552 3.365 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1 ZINC000280111807 1435594099 /nfs/dbraw/zinc/59/40/99/1435594099.db2.gz UNJGXUKDQWZBDN-IAGOWNOFSA-N 0 1 375.538 3.231 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccnn2-c2ccc(F)cc2)c1 ZINC000280120026 1435595665 /nfs/dbraw/zinc/59/56/65/1435595665.db2.gz COVYXGIJPSXSQS-NRFANRHFSA-N 0 1 393.466 3.073 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(N3CCOCC3)c2)s1 ZINC000280134105 1435597671 /nfs/dbraw/zinc/59/76/71/1435597671.db2.gz PEEFWMZTNMKXRU-HNNXBMFYSA-N 0 1 394.562 3.229 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@](C)(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000280149163 1435599833 /nfs/dbraw/zinc/59/98/33/1435599833.db2.gz ASUGMKOEUNSDCG-AEFFLSMTSA-N 0 1 387.446 3.255 20 0 GGADMN O=C(CCc1ccc(=O)[nH]c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000280165421 1435602087 /nfs/dbraw/zinc/60/20/87/1435602087.db2.gz IHVMOWIKHHOOJI-QGZVFWFLSA-N 0 1 383.496 3.292 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc4cnccc43)cn2)C[C@H](C)O1 ZINC000280164762 1435602352 /nfs/dbraw/zinc/60/23/52/1435602352.db2.gz BGEGUECULXRAJP-GJZGRUSLSA-N 0 1 398.488 3.044 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(CN(C)C)c(Cl)c2)ccc1C ZINC000280169992 1435603104 /nfs/dbraw/zinc/60/31/04/1435603104.db2.gz BMYRGEAHQFJOFR-UHFFFAOYSA-N 0 1 395.912 3.469 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc3[nH]c(-c4cccs4)nc31)CCO2 ZINC000280189477 1435605965 /nfs/dbraw/zinc/60/59/65/1435605965.db2.gz VVHMPPYPDUEHLL-RNODOKPDSA-N 0 1 383.473 3.311 20 0 GGADMN C[C@@H]1OCC[C@]12CN(C(=O)c1cccc3[nH]c(-c4cccs4)nc31)CCO2 ZINC000280189470 1435605967 /nfs/dbraw/zinc/60/59/67/1435605967.db2.gz VVHMPPYPDUEHLL-RBZFPXEDSA-N 0 1 383.473 3.311 20 0 GGADMN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc(C)cc3c[nH]nc32)sc1C ZINC000280217116 1435611162 /nfs/dbraw/zinc/61/11/62/1435611162.db2.gz WXACRRSZLRYMIP-CQSZACIVSA-N 0 1 384.461 3.400 20 0 GGADMN COc1ccc([C@H](C)[C@@H](C)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000280222546 1435611909 /nfs/dbraw/zinc/61/19/09/1435611909.db2.gz IYGDINJHJKYILX-CKEIUWERSA-N 0 1 375.490 3.314 20 0 GGADMN C[C@@]1(O)CCCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000280239303 1435615978 /nfs/dbraw/zinc/61/59/78/1435615978.db2.gz WNUPIFFIPLSPPR-WOJBJXKFSA-N 0 1 376.497 3.330 20 0 GGADMN C[C@]1(O)CCCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000280239299 1435616069 /nfs/dbraw/zinc/61/60/69/1435616069.db2.gz WNUPIFFIPLSPPR-UXHICEINSA-N 0 1 376.497 3.330 20 0 GGADMN Clc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c(-n2cncn2)c1 ZINC000280274656 1435623268 /nfs/dbraw/zinc/62/32/68/1435623268.db2.gz NMZRZMOLFXGZSU-LJQANCHMSA-N 0 1 390.915 3.471 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc2n[nH]cc2c1)N1CCCC1 ZINC000280279852 1435624580 /nfs/dbraw/zinc/62/45/80/1435624580.db2.gz NYCJAFRLDYCOBN-HXUWFJFHSA-N 0 1 378.476 3.067 20 0 GGADMN CO[C@@]1(C)CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000280289545 1435627132 /nfs/dbraw/zinc/62/71/32/1435627132.db2.gz FAYSSVGCPSXKQD-QFIPXVFZSA-N 0 1 399.491 3.039 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C)c1ccco1 ZINC000280294325 1435628396 /nfs/dbraw/zinc/62/83/96/1435628396.db2.gz WQVMJNKAEBKOGA-NVXWUHKLSA-N 0 1 389.500 3.112 20 0 GGADMN COc1cc(-c2nnc(CN3CCC[C@@](C)(OC)CC3)o2)cc(OC)c1OC ZINC000280293338 1435628434 /nfs/dbraw/zinc/62/84/34/1435628434.db2.gz FHOGMASQAGJFGG-HXUWFJFHSA-N 0 1 391.468 3.153 20 0 GGADMN Cc1nc2cc(F)c(F)cc2n1CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000280310567 1435631928 /nfs/dbraw/zinc/63/19/28/1435631928.db2.gz QGMMHCVUZWMFQG-GOSISDBHSA-N 0 1 388.418 3.169 20 0 GGADMN OC[C@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1OC(F)(F)F ZINC000280328595 1435636374 /nfs/dbraw/zinc/63/63/74/1435636374.db2.gz HNFILGBZLALBPK-GJZGRUSLSA-N 0 1 377.309 3.220 20 0 GGADMN OC[C@@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1OC(F)(F)F ZINC000280328591 1435636612 /nfs/dbraw/zinc/63/66/12/1435636612.db2.gz HNFILGBZLALBPK-CABCVRRESA-N 0 1 377.309 3.220 20 0 GGADMN O=C1CCCCN1CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280329601 1435637095 /nfs/dbraw/zinc/63/70/95/1435637095.db2.gz RNRRCDVPYGSQGT-UHFFFAOYSA-N 0 1 387.915 3.145 20 0 GGADMN CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000280335051 1435638530 /nfs/dbraw/zinc/63/85/30/1435638530.db2.gz GESJLPLZJHZGFO-UXHICEINSA-N 0 1 399.539 3.451 20 0 GGADMN Cc1c(-c2cc(CN3CCC(O)(Cc4cccc(C)c4)CC3)on2)cnn1C ZINC000280361251 1435644226 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O=C1O[C@@H](CN[C@@H](CO)c2ccccc2OC(F)(F)F)CN1c1ccccc1 ZINC000280490666 1435668852 /nfs/dbraw/zinc/66/88/52/1435668852.db2.gz MEEXUSJGAWRNCH-HOCLYGCPSA-N 0 1 396.365 3.234 20 0 GGADMN COC(=O)c1nc([C@H]2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)sc1C ZINC000280500072 1435670179 /nfs/dbraw/zinc/67/01/79/1435670179.db2.gz HRZGJAXQYVOJMI-OAHLLOKOSA-N 0 1 397.456 3.469 20 0 GGADMN C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000280499951 1435670204 /nfs/dbraw/zinc/67/02/04/1435670204.db2.gz BEFAZLDYWVQCNE-RDJZCZTQSA-N 0 1 377.448 3.178 20 0 GGADMN C[C@H]1OCC[C@@]12CN(CCC(=O)NC(c1ccccc1)c1ccccc1)CCO2 ZINC000280504531 1435670786 /nfs/dbraw/zinc/67/07/86/1435670786.db2.gz RAHMXVLHCRIXLJ-NTKDMRAZSA-N 0 1 394.515 3.162 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C[C@@]2(CCOC2)O1 ZINC000280515330 1435672221 /nfs/dbraw/zinc/67/22/21/1435672221.db2.gz LSLPDCKGECAJIW-RNODOKPDSA-N 0 1 383.473 3.311 20 0 GGADMN CCn1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c(C(F)(F)F)n1 ZINC000280527990 1435673995 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CCOc1ccc(-c2nc(CN3CC[C@](C)(C(=O)NC)C3)cs2)cc1OC ZINC000281144786 1435783896 /nfs/dbraw/zinc/78/38/96/1435783896.db2.gz OZPJJGKMVFFSOF-FQEVSTJZSA-N 0 1 389.521 3.175 20 0 GGADMN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000281146354 1435784445 /nfs/dbraw/zinc/78/44/45/1435784445.db2.gz GGIXHLIYAQKXHZ-UHFFFAOYSA-N 0 1 391.519 3.307 20 0 GGADMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000281186898 1435792370 /nfs/dbraw/zinc/79/23/70/1435792370.db2.gz OJHKPTBSKBZFIM-OAHLLOKOSA-N 0 1 399.451 3.306 20 0 GGADMN O=C(NCC1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1)C(F)(F)F ZINC000281210804 1435796725 /nfs/dbraw/zinc/79/67/25/1435796725.db2.gz DDEHLESIKLXDMX-CQSZACIVSA-N 0 1 398.347 3.129 20 0 GGADMN Cc1ncc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(C2CC2)n1 ZINC000281214540 1435797696 /nfs/dbraw/zinc/79/76/96/1435797696.db2.gz LDMADEYIBVLTLK-IYBDPMFKSA-N 0 1 394.519 3.202 20 0 GGADMN Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccccc1CN1CCC(O)CC1)O2 ZINC000281249336 1435800695 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GGADMN CCCN(C(=O)C(=O)Nc1cncc(F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000281342246 1435804614 /nfs/dbraw/zinc/80/46/14/1435804614.db2.gz CYKYKUHSJDEOKE-HXUWFJFHSA-N 0 1 398.482 3.062 20 0 GGADMN Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281340247 1435804669 /nfs/dbraw/zinc/80/46/69/1435804669.db2.gz SPYPGSMKXLREHV-UHFFFAOYSA-N 0 1 380.414 3.071 20 0 GGADMN COc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1OCCO ZINC000281384569 1435806610 /nfs/dbraw/zinc/80/66/10/1435806610.db2.gz XMFRTSQWXWHXLX-SFHVURJKSA-N 0 1 397.431 3.046 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CCN(CC(F)(F)F)C4)C3)[nH]c2c1 ZINC000281387783 1435806719 /nfs/dbraw/zinc/80/67/19/1435806719.db2.gz BISXFNXZSKNCIB-CABCVRRESA-N 0 1 394.441 3.462 20 0 GGADMN Cc1nn(C(C)C)cc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000281394780 1435807099 /nfs/dbraw/zinc/80/70/99/1435807099.db2.gz PGTDQSJRIGTLBZ-CALCHBBNSA-N 0 1 384.524 3.312 20 0 GGADMN Cc1nn(C(C)C)cc1CN[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000281398710 1435807241 /nfs/dbraw/zinc/80/72/41/1435807241.db2.gz PLMCVLIWZPHSQQ-LJQANCHMSA-N 0 1 376.451 3.331 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000281409039 1435807773 /nfs/dbraw/zinc/80/77/73/1435807773.db2.gz OKBYICAACXAKIU-MHZLTWQESA-N 0 1 383.517 3.378 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c1C ZINC000281463036 1435809914 /nfs/dbraw/zinc/80/99/14/1435809914.db2.gz PBVVFWOLDHBJPR-UHFFFAOYSA-N 0 1 397.479 3.354 20 0 GGADMN CSc1ccccc1[C@H](C)NCC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000281465236 1435810037 /nfs/dbraw/zinc/81/00/37/1435810037.db2.gz BCJOWLUJIROJHF-HNNXBMFYSA-N 0 1 397.544 3.268 20 0 GGADMN COC[C@H](C)Nc1ccccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000281477106 1435810451 /nfs/dbraw/zinc/81/04/51/1435810451.db2.gz PONHLCZTEPFJHY-SFHVURJKSA-N 0 1 396.535 3.133 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(C(N)=S)cc1 ZINC000281480252 1435810571 /nfs/dbraw/zinc/81/05/71/1435810571.db2.gz GVHBKYHRCKOAIZ-UHFFFAOYSA-N 0 1 385.558 3.430 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(CCc1ccccn1)Cc1ccncc1 ZINC000281484491 1435810705 /nfs/dbraw/zinc/81/07/05/1435810705.db2.gz IFYYJMIXULQXSM-LJQANCHMSA-N 0 1 376.464 3.032 20 0 GGADMN CCn1ncc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c(C)nc21 ZINC000281491111 1435811093 /nfs/dbraw/zinc/81/10/93/1435811093.db2.gz QFHIMVHYPWLUPE-UHFFFAOYSA-N 0 1 392.507 3.072 20 0 GGADMN O=C(CC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1)Nc1ccccc1Cl ZINC000281493659 1435811143 /nfs/dbraw/zinc/81/11/43/1435811143.db2.gz XNDDJIXJGSSXNQ-UHFFFAOYSA-N 0 1 391.821 3.059 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1F ZINC000281545410 1435812992 /nfs/dbraw/zinc/81/29/92/1435812992.db2.gz IXEQWQSFECCCQM-IBGZPJMESA-N 0 1 393.459 3.141 20 0 GGADMN CN(CCCOCc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000281557532 1435813413 /nfs/dbraw/zinc/81/34/13/1435813413.db2.gz XYIUUPWSGOMOJK-UHFFFAOYSA-N 0 1 383.473 3.303 20 0 GGADMN Cc1ccc(C(F)(F)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000281564388 1435813827 /nfs/dbraw/zinc/81/38/27/1435813827.db2.gz AFYOMWTUPLGHKH-UHFFFAOYSA-N 0 1 378.341 3.004 20 0 GGADMN Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000281595435 1435814984 /nfs/dbraw/zinc/81/49/84/1435814984.db2.gz CTTCXKMQHNCBNF-HNNXBMFYSA-N 0 1 382.386 3.037 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2ccccc2SC)n1 ZINC000281613620 1435815692 /nfs/dbraw/zinc/81/56/92/1435815692.db2.gz GVNISQXBYMIZGH-LBPRGKRZSA-N 0 1 393.534 3.260 20 0 GGADMN CC(C)(C)Nc1ccccc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000281639089 1435816708 /nfs/dbraw/zinc/81/67/08/1435816708.db2.gz HATOOVPMYCODHK-SFHVURJKSA-N 0 1 394.519 3.226 20 0 GGADMN CSc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000281651900 1435817086 /nfs/dbraw/zinc/81/70/86/1435817086.db2.gz JYBMJHIIXNBLBI-UONOGXRCSA-N 0 1 392.546 3.490 20 0 GGADMN COc1ccccc1-n1nccc1CNCc1cc(F)ccc1N1CCOCC1 ZINC000281654597 1435817190 /nfs/dbraw/zinc/81/71/90/1435817190.db2.gz NAOQHWJJQPVUNR-UHFFFAOYSA-N 0 1 396.466 3.146 20 0 GGADMN CN(C(=O)CN[C@@]1(CO)CCCc2ccccc21)c1nc2ccccc2s1 ZINC000281738492 1435820090 /nfs/dbraw/zinc/82/00/90/1435820090.db2.gz QIDBIYMUDPGDIU-OAQYLSRUSA-N 0 1 381.501 3.073 20 0 GGADMN CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)[C@@H](C)C1 ZINC000281781966 1435821743 /nfs/dbraw/zinc/82/17/43/1435821743.db2.gz BMTHLFWJDQMHEF-XYJFISCASA-N 0 1 387.524 3.011 20 0 GGADMN CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)[C@H](C)C1 ZINC000281781952 1435821771 /nfs/dbraw/zinc/82/17/71/1435821771.db2.gz BMTHLFWJDQMHEF-JFIYKMOQSA-N 0 1 387.524 3.011 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000281808079 1435822709 /nfs/dbraw/zinc/82/27/09/1435822709.db2.gz KYMJACZOEWSHCR-INIZCTEOSA-N 0 1 399.564 3.116 20 0 GGADMN COCCn1cc(CNCc2cc(C)c(OCc3ccccn3)c(C)c2)cn1 ZINC000281848675 1435824095 /nfs/dbraw/zinc/82/40/95/1435824095.db2.gz BBWIERIJRQPWEA-UHFFFAOYSA-N 0 1 380.492 3.410 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@H]2c2ccnn2C)CC1 ZINC000281859095 1435824574 /nfs/dbraw/zinc/82/45/74/1435824574.db2.gz LSMYGMIYBSCCOE-UWJYYQICSA-N 0 1 396.539 3.277 20 0 GGADMN C[C@@H](NC(=O)CCCC1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000281880193 1435825340 /nfs/dbraw/zinc/82/53/40/1435825340.db2.gz OBCBUGCLULDFLR-QGZVFWFLSA-N 0 1 391.531 3.352 20 0 GGADMN CSc1ccc(CCNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000281890215 1435825683 /nfs/dbraw/zinc/82/56/83/1435825683.db2.gz UKWKADVXTCOQAG-UHFFFAOYSA-N 0 1 384.549 3.310 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000281897754 1435825944 /nfs/dbraw/zinc/82/59/44/1435825944.db2.gz MKIIKOMHQOMJFS-YLJYHZDGSA-N 0 1 386.540 3.256 20 0 GGADMN COC(=O)[C@H]1CC12CCN(Cc1cnc(NC(=O)OC(C)(C)C)s1)CC2 ZINC000281914026 1435826587 /nfs/dbraw/zinc/82/65/87/1435826587.db2.gz BDSQXOSNCNHHQR-CYBMUJFWSA-N 0 1 381.498 3.265 20 0 GGADMN O=C(NCc1c(F)cc(F)c(F)c1F)NC1CCN(Cc2ccncc2)CC1 ZINC000281922811 1435826989 /nfs/dbraw/zinc/82/69/89/1435826989.db2.gz HGQYWPHBQFDPRO-UHFFFAOYSA-N 0 1 396.388 3.102 20 0 GGADMN Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[nH]n1 ZINC000281927811 1435827223 /nfs/dbraw/zinc/82/72/23/1435827223.db2.gz HSXFNRZCKALWME-BZNIZROVSA-N 0 1 389.818 3.319 20 0 GGADMN O=C1[C@H](N2CCN(CCCCC3CCOCC3)CC2)CCN1c1ccccc1 ZINC000281944593 1435827882 /nfs/dbraw/zinc/82/78/82/1435827882.db2.gz JDYVGQTXBJNWCE-JOCHJYFZSA-N 0 1 385.552 3.006 20 0 GGADMN C[C@H](c1ccc(OC(F)F)cc1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000281955236 1435828426 /nfs/dbraw/zinc/82/84/26/1435828426.db2.gz ATJOHQVRFMVDLI-CQSZACIVSA-N 0 1 388.480 3.239 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000281968124 1435828920 /nfs/dbraw/zinc/82/89/20/1435828920.db2.gz JTWPWOGCJRCISL-NSHDSACASA-N 0 1 386.518 3.493 20 0 GGADMN Cc1cccc(OC[C@H](O)CNCc2cnc(NC(=O)OC(C)(C)C)s2)c1 ZINC000281970739 1435829072 /nfs/dbraw/zinc/82/90/72/1435829072.db2.gz KARVFLWVLXUXQJ-CQSZACIVSA-N 0 1 393.509 3.328 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000281974647 1435829317 /nfs/dbraw/zinc/82/93/17/1435829317.db2.gz UVOHERFVAOJESR-UHFFFAOYSA-N 0 1 380.517 3.320 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000281992174 1435830076 /nfs/dbraw/zinc/83/00/76/1435830076.db2.gz MWHWNLNJHHJEOL-UHFFFAOYSA-N 0 1 377.466 3.184 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000282021174 1435831342 /nfs/dbraw/zinc/83/13/42/1435831342.db2.gz JKFCTEXLZNFTQZ-QWHCGFSZSA-N 0 1 389.456 3.143 20 0 GGADMN Cc1ccc(C(=O)NCCNCc2cnc(NC(=O)OC(C)(C)C)s2)cc1 ZINC000282020363 1435831347 /nfs/dbraw/zinc/83/13/47/1435831347.db2.gz NLIHXNVNERUDLP-UHFFFAOYSA-N 0 1 390.509 3.318 20 0 GGADMN Cc1nc(-c2ccc(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)cc2)cs1 ZINC000282063140 1435833095 /nfs/dbraw/zinc/83/30/95/1435833095.db2.gz BCJKXHKIROXCPE-FQEVSTJZSA-N 0 1 386.565 3.120 20 0 GGADMN Cc1cc([C@@H](C)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)oc1C ZINC000282093084 1435834307 /nfs/dbraw/zinc/83/43/07/1435834307.db2.gz IFGAFMMWZVDSNI-CRAIPNDOSA-N 0 1 392.521 3.205 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(NCC4CC4)nc3)C1)CCCC2 ZINC000282090952 1435834334 /nfs/dbraw/zinc/83/43/34/1435834334.db2.gz CZPDAAKDTOSTPU-GOSISDBHSA-N 0 1 379.508 3.374 20 0 GGADMN COCCOc1cncc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000282168769 1435837134 /nfs/dbraw/zinc/83/71/34/1435837134.db2.gz HVIBRYKYSCOLHS-SFHVURJKSA-N 0 1 382.420 3.087 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000282190422 1435837813 /nfs/dbraw/zinc/83/78/13/1435837813.db2.gz BYFXVXIDSYIRLB-UHOSZYNNSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000282190422 1435837814 /nfs/dbraw/zinc/83/78/14/1435837814.db2.gz BYFXVXIDSYIRLB-UHOSZYNNSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)[C@H](C)C1 ZINC000282207214 1435838446 /nfs/dbraw/zinc/83/84/46/1435838446.db2.gz HFNXBQWJGZOXHQ-SJLPKXTDSA-N 0 1 382.932 3.050 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)[C@@H](C)C1 ZINC000282212520 1435838642 /nfs/dbraw/zinc/83/86/42/1435838642.db2.gz DLRPXEUZERKIFV-CECAUBDESA-N 0 1 390.524 3.161 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@H](C)c1ccccc1SC ZINC000282230987 1435839404 /nfs/dbraw/zinc/83/94/04/1435839404.db2.gz ZIMPKVIWCRTYEF-OAHLLOKOSA-N 0 1 385.533 3.376 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)N1CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C1)CC2 ZINC000282259545 1435840504 /nfs/dbraw/zinc/84/05/04/1435840504.db2.gz JAJCNGJOAJSVQY-SJLPKXTDSA-N 0 1 396.539 3.097 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000282271445 1435841051 /nfs/dbraw/zinc/84/10/51/1435841051.db2.gz DIXWTNHKAXXQII-LLVKDONJSA-N 0 1 385.468 3.452 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282276947 1435841335 /nfs/dbraw/zinc/84/13/35/1435841335.db2.gz TUEIMQTYTXZIOO-LJQANCHMSA-N 0 1 376.888 3.005 20 0 GGADMN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC000282314838 1435842880 /nfs/dbraw/zinc/84/28/80/1435842880.db2.gz UHHMFHHXLQMSMQ-UHFFFAOYSA-N 0 1 378.411 3.232 20 0 GGADMN COc1cc(CN(C)C(=O)c2cc(F)cc3nn[nH]c32)c(SC)cc1OC ZINC000282410845 1435846258 /nfs/dbraw/zinc/84/62/58/1435846258.db2.gz CHIBLEQZCRHUSE-UHFFFAOYSA-N 0 1 390.440 3.108 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000282436115 1435847193 /nfs/dbraw/zinc/84/71/93/1435847193.db2.gz ZCBYENMPRXALPU-ZDUSSCGKSA-N 0 1 386.521 3.452 20 0 GGADMN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282449814 1435847556 /nfs/dbraw/zinc/84/75/56/1435847556.db2.gz SIJDKRFFGUEWFA-AWEZNQCLSA-N 0 1 395.425 3.371 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCC[C@@H](CN4CCOCC4)C3)cc2)cs1 ZINC000282452176 1435847771 /nfs/dbraw/zinc/84/77/71/1435847771.db2.gz SNZLJLQTIMNCTA-KRWDZBQOSA-N 0 1 385.533 3.303 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](NCc2nc(-c3ccco3)no2)C(C)(C)C1 ZINC000282457623 1435847964 /nfs/dbraw/zinc/84/79/64/1435847964.db2.gz JJXDCBNJIJUUIF-CQSZACIVSA-N 0 1 376.457 3.455 20 0 GGADMN CCOc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000282465824 1435848217 /nfs/dbraw/zinc/84/82/17/1435848217.db2.gz LFLHSDLJLHVVKM-HNNXBMFYSA-N 0 1 381.904 3.315 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000282492278 1435849161 /nfs/dbraw/zinc/84/91/61/1435849161.db2.gz NBAPDARIOUTGGV-INIZCTEOSA-N 0 1 381.467 3.077 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(OCc3ccccn3)cc2)O1 ZINC000282498582 1435849274 /nfs/dbraw/zinc/84/92/74/1435849274.db2.gz QOSGINBBRVELCI-DHWLSRIRSA-N 0 1 396.487 3.344 20 0 GGADMN COCc1cc([C@@H](C)NCCS(=O)(=O)CCc2ccccc2)ccc1OC ZINC000282515580 1435849893 /nfs/dbraw/zinc/84/98/93/1435849893.db2.gz PCIIDLIKNITNRS-QGZVFWFLSA-N 0 1 391.533 3.150 20 0 GGADMN COCc1cc([C@H](C)NCCS(=O)(=O)CCc2ccccc2)ccc1OC ZINC000282515576 1435849934 /nfs/dbraw/zinc/84/99/34/1435849934.db2.gz PCIIDLIKNITNRS-KRWDZBQOSA-N 0 1 391.533 3.150 20 0 GGADMN COc1nccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000282522955 1435850099 /nfs/dbraw/zinc/85/00/99/1435850099.db2.gz AJGVFBUVMOVVLD-CQSZACIVSA-N 0 1 385.472 3.063 20 0 GGADMN COc1nccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000282522953 1435850150 /nfs/dbraw/zinc/85/01/50/1435850150.db2.gz AJGVFBUVMOVVLD-AWEZNQCLSA-N 0 1 385.472 3.063 20 0 GGADMN O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC000282565796 1435851759 /nfs/dbraw/zinc/85/17/59/1435851759.db2.gz URLWIDXNUJWZRU-PKOBYXMFSA-N 0 1 383.467 3.226 20 0 GGADMN O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC000282565792 1435851802 /nfs/dbraw/zinc/85/18/02/1435851802.db2.gz URLWIDXNUJWZRU-MJGOQNOKSA-N 0 1 383.467 3.226 20 0 GGADMN CC(=O)NCCN(CCCc1nc(-c2ccccc2)no1)Cc1ccsc1 ZINC000282567092 1435851941 /nfs/dbraw/zinc/85/19/41/1435851941.db2.gz USWOUUPNSWGZQN-UHFFFAOYSA-N 0 1 384.505 3.369 20 0 GGADMN Cc1nc(C(=O)Nc2cc(C)c(Cl)c(C)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000282570885 1435852045 /nfs/dbraw/zinc/85/20/45/1435852045.db2.gz OZDOJPTYWURYBO-UHFFFAOYSA-N 0 1 399.764 3.235 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cccc4nc(C)[nH]c43)CC2)cc1 ZINC000282579595 1435852400 /nfs/dbraw/zinc/85/24/00/1435852400.db2.gz BBPSDIDZCHPZBE-UHFFFAOYSA-N 0 1 378.476 3.228 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(F)cc5n[nH]nc54)C3)[nH]c2c1 ZINC000282603032 1435853326 /nfs/dbraw/zinc/85/33/26/1435853326.db2.gz WOYMDPKYJFBQSE-LBPRGKRZSA-N 0 1 378.411 3.302 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ncccc1Oc1ccccc1 ZINC000282601854 1435853365 /nfs/dbraw/zinc/85/33/65/1435853365.db2.gz GCZZHGKGVBQVOP-QGZVFWFLSA-N 0 1 381.476 3.199 20 0 GGADMN Cc1cc([C@H]2CCCN(C(=O)Nc3cccc(S(=O)(=O)C(F)F)c3)C2)n[nH]1 ZINC000282606080 1435853476 /nfs/dbraw/zinc/85/34/76/1435853476.db2.gz ZPEFJNRSSIQQFZ-LBPRGKRZSA-N 0 1 398.435 3.126 20 0 GGADMN COCCCn1nccc1CNCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000282611943 1435853684 /nfs/dbraw/zinc/85/36/84/1435853684.db2.gz IQNNSCSFDGRVIY-UHFFFAOYSA-N 0 1 387.402 3.159 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1cccc(N2CCCC2=O)c1 ZINC000282650950 1435855178 /nfs/dbraw/zinc/85/51/78/1435855178.db2.gz LXFSIVICXXLSBS-UHFFFAOYSA-N 0 1 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CC(C)c1cnc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)s1 ZINC000282724094 1435857948 /nfs/dbraw/zinc/85/79/48/1435857948.db2.gz CRVASJFAPWBDRD-CQSZACIVSA-N 0 1 394.928 3.278 20 0 GGADMN CCCCN(Cc1ccc(C)cc1-c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000282750950 1435859054 /nfs/dbraw/zinc/85/90/54/1435859054.db2.gz HAAZOBDUYOTQID-LJQANCHMSA-N 0 1 375.538 3.185 20 0 GGADMN C[N@H+]1CCN(CCNC(=O)Nc2cccc(C3SCCS3)c2)CC1(C)C ZINC000282762660 1435859467 /nfs/dbraw/zinc/85/94/67/1435859467.db2.gz QJILJEKOZSIVFY-UHFFFAOYSA-N 0 1 394.610 3.313 20 0 GGADMN CCCc1cnc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)s1 ZINC000282768990 1435859691 /nfs/dbraw/zinc/85/96/91/1435859691.db2.gz JFJHSLSZWQACND-HNNXBMFYSA-N 0 1 394.928 3.107 20 0 GGADMN CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282787565 1435860339 /nfs/dbraw/zinc/86/03/39/1435860339.db2.gz PJDAPKVNXLTMNT-DNOBIOAJSA-N 0 1 393.597 3.134 20 0 GGADMN CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282787565 1435860340 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CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)NC2CCCCCCC2)cc1 ZINC000283926425 1435953984 /nfs/dbraw/zinc/95/39/84/1435953984.db2.gz ASQKVUQRJUSERI-INIZCTEOSA-N 0 1 380.554 3.360 20 0 GGADMN O=C(C=Cc1c[nH]cn1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000283925242 1435954411 /nfs/dbraw/zinc/95/44/11/1435954411.db2.gz KDJSWSLMXPPYCL-ZHACJKMWSA-N 0 1 381.480 3.266 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC[C@H]1CCCC(F)(F)C1 ZINC000283930436 1435955379 /nfs/dbraw/zinc/95/53/79/1435955379.db2.gz VSVCWYJEPUJISU-ZDUSSCGKSA-N 0 1 379.411 3.008 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cccc(F)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000283961251 1435962162 /nfs/dbraw/zinc/96/21/62/1435962162.db2.gz AOISDSJDTXELOQ-SFHVURJKSA-N 0 1 398.482 3.062 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000283976873 1435965305 /nfs/dbraw/zinc/96/53/05/1435965305.db2.gz CPRRKOQYBFZUAE-KGLIPLIRSA-N 0 1 378.469 3.297 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000283976877 1435965578 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3.235 20 0 GGADMN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc2cncn2c1 ZINC000284035952 1435977844 /nfs/dbraw/zinc/97/78/44/1435977844.db2.gz SONKWEQCHNJXJD-UHFFFAOYSA-N 0 1 380.473 3.084 20 0 GGADMN COc1ccc([C@H](NC[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)cc1 ZINC000284060954 1435983013 /nfs/dbraw/zinc/98/30/13/1435983013.db2.gz KDUXFCSHGRQKDR-MGPUTAFESA-N 0 1 377.481 3.338 20 0 GGADMN COc1ncc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000284071070 1435985440 /nfs/dbraw/zinc/98/54/40/1435985440.db2.gz ASZCIEMHRMSLBX-QWHCGFSZSA-N 0 1 397.928 3.406 20 0 GGADMN C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000284113977 1435992830 /nfs/dbraw/zinc/99/28/30/1435992830.db2.gz SZQJXDLWPJXLFD-MRXNPFEDSA-N 0 1 392.565 3.033 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3ccccc3S(C)(=O)=O)[nH]c2c1 ZINC000284116984 1435993542 /nfs/dbraw/zinc/99/35/42/1435993542.db2.gz ZDLSJKCWTDSXAP-GOSISDBHSA-N 0 1 397.500 3.181 20 0 GGADMN COc1ncc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000284119797 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DWIPMCPHFZQVKT-CZUORRHYSA-N 0 1 386.805 3.202 20 0 GGADMN COc1ncc([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1Cl ZINC000284449503 1436022615 /nfs/dbraw/zinc/02/26/15/1436022615.db2.gz SJODEVNXOZKMCP-KGLIPLIRSA-N 0 1 376.888 3.215 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)Cc3ccccc3S(C)(=O)=O)cc2[nH]1 ZINC000284451860 1436022678 /nfs/dbraw/zinc/02/26/78/1436022678.db2.gz IGIXBKSMYGZGKX-UHFFFAOYSA-N 0 1 385.489 3.445 20 0 GGADMN COc1ncc([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1Cl ZINC000284449508 1436022791 /nfs/dbraw/zinc/02/27/91/1436022791.db2.gz SJODEVNXOZKMCP-ZIAGYGMSSA-N 0 1 376.888 3.215 20 0 GGADMN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000284479096 1436024666 /nfs/dbraw/zinc/02/46/66/1436024666.db2.gz GIWSPQDPKJOUHJ-IFMALSPDSA-N 0 1 396.535 3.106 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2nccc(Oc3ccccc3)n2)C1 ZINC000284484237 1436025224 /nfs/dbraw/zinc/02/52/24/1436025224.db2.gz GYHNDJGMJMOENH-CVEARBPZSA-N 0 1 378.436 3.231 20 0 GGADMN CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284493103 1436025917 /nfs/dbraw/zinc/02/59/17/1436025917.db2.gz JXHLCNUFEZETIY-GHTZIAJQSA-N 0 1 381.524 3.177 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CCCN1C ZINC000284495285 1436026259 /nfs/dbraw/zinc/02/62/59/1436026259.db2.gz CFDVDGRZOIEVKG-VZYKRBATSA-N 0 1 388.462 3.001 20 0 GGADMN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284514481 1436027448 /nfs/dbraw/zinc/02/74/48/1436027448.db2.gz BDLZSKLILXNWBU-SIKLNZKXSA-N 0 1 392.499 3.154 20 0 GGADMN COc1ccc2sc(C(=O)N3C[C@H](OC)C[C@H]3c3n[nH]c(C)n3)c(C)c2c1 ZINC000284524502 1436027902 /nfs/dbraw/zinc/02/79/02/1436027902.db2.gz FVBMITSSELLGFA-HIFRSBDPSA-N 0 1 386.477 3.247 20 0 GGADMN Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284532136 1436028379 /nfs/dbraw/zinc/02/83/79/1436028379.db2.gz GRGYECZOQUVFGX-IFXJQAMLSA-N 0 1 387.915 3.122 20 0 GGADMN Cc1ccc2c(CN3CCC[C@](O)(c4cn(C(C)C)nn4)C3)cc(=O)oc2c1C ZINC000284547743 1436029300 /nfs/dbraw/zinc/02/93/00/1436029300.db2.gz HFKGPPFXSCWKMQ-JOCHJYFZSA-N 0 1 396.491 3.066 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc3cc[nH]c3c2)CCCN1C1CC1 ZINC000284544326 1436029391 /nfs/dbraw/zinc/02/93/91/1436029391.db2.gz HMXUZDATITYKPJ-LAUBAEHRSA-N 0 1 377.492 3.247 20 0 GGADMN COc1ccc(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c(C)c1 ZINC000284553425 1436030017 /nfs/dbraw/zinc/03/00/17/1436030017.db2.gz IIKBCNHHVZSTQJ-HRAATJIYSA-N 0 1 382.508 3.083 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(F)c(F)cc2Cl)CCCN1C ZINC000284560737 1436030496 /nfs/dbraw/zinc/03/04/96/1436030496.db2.gz JCHINIOXMNHJBX-APPDUMDISA-N 0 1 382.842 3.165 20 0 GGADMN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000284598896 1436033200 /nfs/dbraw/zinc/03/32/00/1436033200.db2.gz BLNQULPIPOXCKP-MDASCCDHSA-N 0 1 395.463 3.254 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000284603187 1436033618 /nfs/dbraw/zinc/03/36/18/1436033618.db2.gz BTZLBEAEIAVINX-XWIAVFTESA-N 0 1 387.484 3.133 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000284609335 1436034209 /nfs/dbraw/zinc/03/42/09/1436034209.db2.gz BBARCCGCVUHMHT-UAKXVISKSA-N 0 1 381.839 3.138 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCO[C@H]3c3ccnn3C(C)C)[nH]c2c1 ZINC000284608727 1436034275 /nfs/dbraw/zinc/03/42/75/1436034275.db2.gz NVOINGURPKIXNN-FOIQADDNSA-N 0 1 381.480 3.433 20 0 GGADMN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000284622360 1436035349 /nfs/dbraw/zinc/03/53/49/1436035349.db2.gz BBQDFAAQGGMOMM-KZNAEPCWSA-N 0 1 391.899 3.448 20 0 GGADMN Cc1ccc(-c2cc(CN3CCC[C@@](O)(c4cn(C(C)C)nn4)C3)on2)cc1 ZINC000284632771 1436035761 /nfs/dbraw/zinc/03/57/61/1436035761.db2.gz NHRKRBNHFJXQIS-NRFANRHFSA-N 0 1 381.480 3.306 20 0 GGADMN Cc1ccccc1CNC(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284644559 1436036844 /nfs/dbraw/zinc/03/68/44/1436036844.db2.gz CJGSASRQWGHBKG-GHTZIAJQSA-N 0 1 381.524 3.143 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2csc(-c3ccccc3C)n2)C1 ZINC000284645138 1436037118 /nfs/dbraw/zinc/03/71/18/1436037118.db2.gz RYOMMQPFVBDVJJ-CJNGLKHVSA-N 0 1 383.477 3.147 20 0 GGADMN CC(=O)N(c1nc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)cs1)C1CC1 ZINC000284647187 1436037154 /nfs/dbraw/zinc/03/71/54/1436037154.db2.gz DYSSZERPGBIYOM-FQEVSTJZSA-N 0 1 384.549 3.017 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000284649752 1436037299 /nfs/dbraw/zinc/03/72/99/1436037299.db2.gz FDQAZHHPWVKYKQ-ZDUSSCGKSA-N 0 1 387.457 3.143 20 0 GGADMN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000284652971 1436037645 /nfs/dbraw/zinc/03/76/45/1436037645.db2.gz CVHQLHQHDWZTGY-GDBMZVCRSA-N 0 1 383.370 3.155 20 0 GGADMN NC(=O)[C@H]1CCO[C@@H]1C1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000284660998 1436038392 /nfs/dbraw/zinc/03/83/92/1436038392.db2.gz GZVHWNDXGGRIKW-MAUKXSAKSA-N 0 1 393.409 3.360 20 0 GGADMN COc1cc(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)ccc1C ZINC000284661773 1436038614 /nfs/dbraw/zinc/03/86/14/1436038614.db2.gz UNNIMXVOKMMTFU-LAUBAEHRSA-N 0 1 382.508 3.083 20 0 GGADMN COc1cc2c(cc1F)nccc2N1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284680465 1436039755 /nfs/dbraw/zinc/03/97/55/1436039755.db2.gz ZJXMVRPHJYWHOY-PXAZEXFGSA-N 0 1 383.427 3.344 20 0 GGADMN CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)/C=C/c1c(F)cccc1F ZINC000284682312 1436039976 /nfs/dbraw/zinc/03/99/76/1436039976.db2.gz WTQHZSSIQYMRGN-RGSOUBSXSA-N 0 1 388.462 3.253 20 0 GGADMN CN(C(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000284691353 1436040642 /nfs/dbraw/zinc/04/06/42/1436040642.db2.gz MQRAPNVPXODHIJ-UHFFFAOYSA-N 0 1 391.943 3.212 20 0 GGADMN CCc1nc2cc(NC(=O)N3C[C@H](OC)C[C@H]3c3n[nH]c(C4CC4)n3)ccc2o1 ZINC000284692139 1436040975 /nfs/dbraw/zinc/04/09/75/1436040975.db2.gz WTOPZQZZNQBLMW-HIFRSBDPSA-N 0 1 396.451 3.380 20 0 GGADMN Cc1nn(C(C)(C)C)cc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284692327 1436041014 /nfs/dbraw/zinc/04/10/14/1436041014.db2.gz XVBAXXDQEQEPMD-OXJNMPFZSA-N 0 1 398.555 3.026 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000284701616 1436041156 /nfs/dbraw/zinc/04/11/56/1436041156.db2.gz ICJRNLVXFQQTJW-CVEARBPZSA-N 0 1 386.517 3.109 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000284703402 1436041661 /nfs/dbraw/zinc/04/16/61/1436041661.db2.gz IEWXWEMZAFPUTK-HZPDHXFCSA-N 0 1 380.554 3.216 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2cc(Cl)ccc2F)CCC(=O)N1C1CC1 ZINC000284708668 1436041842 /nfs/dbraw/zinc/04/18/42/1436041842.db2.gz ZFZUWZVDOUDYCX-VQIMIIECSA-N 0 1 376.863 3.197 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)NC2CCC(C)CC2)cc1 ZINC000284711691 1436042132 /nfs/dbraw/zinc/04/21/32/1436042132.db2.gz IWWOJGZMBYASFN-GARNVTTQSA-N 0 1 380.554 3.214 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](C)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284715396 1436042437 /nfs/dbraw/zinc/04/24/37/1436042437.db2.gz JAOZKHXZFWCQJF-ICSRJNTNSA-N 0 1 381.520 3.271 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NC(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000284720241 1436043035 /nfs/dbraw/zinc/04/30/35/1436043035.db2.gz HODIBSCUVYYSGZ-LXZKKBNFSA-N 0 1 399.495 3.232 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000284724566 1436043505 /nfs/dbraw/zinc/04/35/05/1436043505.db2.gz BXRMVQNNICMTDR-OTYXRUKQSA-N 0 1 381.358 3.093 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000284729786 1436043877 /nfs/dbraw/zinc/04/38/77/1436043877.db2.gz JYFBFSHHHAUJQT-HNNXBMFYSA-N 0 1 378.538 3.064 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284727724 1436044130 /nfs/dbraw/zinc/04/41/30/1436044130.db2.gz IARJAUMXWIDTLP-MEQBGZRUSA-N 0 1 384.879 3.058 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cc(F)ccc2OC(C)C)C1 ZINC000284732521 1436044623 /nfs/dbraw/zinc/04/46/23/1436044623.db2.gz XBTBHQQSHOQRHB-HIFRSBDPSA-N 0 1 377.420 3.033 20 0 GGADMN CC(=O)c1c(C)cc(C)c(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1C ZINC000284734663 1436044684 /nfs/dbraw/zinc/04/46/84/1436044684.db2.gz WAEYOHKQNMZSAU-JOCHJYFZSA-N 0 1 384.524 3.470 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000284744990 1436045637 /nfs/dbraw/zinc/04/56/37/1436045637.db2.gz LBNBTYVQLFJWSO-OLMMMNRUSA-N 0 1 380.554 3.214 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000284763818 1436047719 /nfs/dbraw/zinc/04/77/19/1436047719.db2.gz MLXQUSKWCMQMRG-HTAPYJJXSA-N 0 1 379.504 3.075 20 0 GGADMN CCn1c(CN2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)nc2c1cccc2F ZINC000284764062 1436047729 /nfs/dbraw/zinc/04/77/29/1436047729.db2.gz GMXZXNBTFKSNJD-CJNGLKHVSA-N 0 1 384.459 3.153 20 0 GGADMN CN1CCN(CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000284765112 1436047752 /nfs/dbraw/zinc/04/77/52/1436047752.db2.gz MNFQMOXDYWLTLB-KRWDZBQOSA-N 0 1 375.875 3.276 20 0 GGADMN C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824657569 1441419667 /nfs/dbraw/zinc/41/96/67/1441419667.db2.gz RGZMILFFMRKDCQ-ZFWWWQNUSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824657569 1441419669 /nfs/dbraw/zinc/41/96/69/1441419669.db2.gz RGZMILFFMRKDCQ-ZFWWWQNUSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824657569 1441419673 /nfs/dbraw/zinc/41/96/73/1441419673.db2.gz RGZMILFFMRKDCQ-ZFWWWQNUSA-N 0 1 383.887 3.238 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000821105042 1441430260 /nfs/dbraw/zinc/43/02/60/1441430260.db2.gz WHQHPOXNAQAPTG-OXJNMPFZSA-N 0 1 390.491 3.256 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000821105042 1441430263 /nfs/dbraw/zinc/43/02/63/1441430263.db2.gz WHQHPOXNAQAPTG-OXJNMPFZSA-N 0 1 390.491 3.256 20 0 GGADMN C[N@@H+]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000826030018 1441436829 /nfs/dbraw/zinc/43/68/29/1441436829.db2.gz ZPSCIHSPAQPXGF-LSDHHAIUSA-N 0 1 390.278 3.426 20 0 GGADMN C[N@H+]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000826030018 1441436831 /nfs/dbraw/zinc/43/68/31/1441436831.db2.gz ZPSCIHSPAQPXGF-LSDHHAIUSA-N 0 1 390.278 3.426 20 0 GGADMN Cc1cccc2oc(CCNc3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc34)nc21 ZINC000822340714 1441440521 /nfs/dbraw/zinc/44/05/21/1441440521.db2.gz DJHYRBYOSDVCBA-UHFFFAOYSA-N 0 1 385.431 3.249 20 0 GGADMN CCCCC[C@@H]([NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccccc1 ZINC000736441338 1441443806 /nfs/dbraw/zinc/44/38/06/1441443806.db2.gz PSPOHBQZYYZONN-GOSISDBHSA-N 0 1 376.468 3.321 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCCCCNc3ccccn3)c2c1 ZINC000822195515 1441444919 /nfs/dbraw/zinc/44/49/19/1441444919.db2.gz UKVNKGDKFUOKCQ-UHFFFAOYSA-N 0 1 388.479 3.153 20 0 GGADMN COc1cc(OC)cc(OCCC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826181359 1441445020 /nfs/dbraw/zinc/44/50/20/1441445020.db2.gz WCOKPFSGDFEFKI-AWEZNQCLSA-N 0 1 383.452 3.004 20 0 GGADMN Cc1cccc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)c1 ZINC000826297618 1441459906 /nfs/dbraw/zinc/45/99/06/1441459906.db2.gz MWZFETOISZGCHR-HNNXBMFYSA-N 0 1 396.882 3.257 20 0 GGADMN CCc1csc([C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3OC)C2)n1 ZINC000825740616 1441460357 /nfs/dbraw/zinc/46/03/57/1441460357.db2.gz VXWOQYYAPWRYAA-HNNXBMFYSA-N 0 1 384.509 3.274 20 0 GGADMN CCc1csc([C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3OC)C2)n1 ZINC000825740616 1441460358 /nfs/dbraw/zinc/46/03/58/1441460358.db2.gz VXWOQYYAPWRYAA-HNNXBMFYSA-N 0 1 384.509 3.274 20 0 GGADMN CCc1csc([C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3OC)C2)n1 ZINC000825740616 1441460360 /nfs/dbraw/zinc/46/03/60/1441460360.db2.gz VXWOQYYAPWRYAA-HNNXBMFYSA-N 0 1 384.509 3.274 20 0 GGADMN Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000822581748 1441483720 /nfs/dbraw/zinc/48/37/20/1441483720.db2.gz NDNSLLIYONGNSK-AWEZNQCLSA-N 0 1 383.887 3.133 20 0 GGADMN Fc1ccc2c(C3CC[NH+](Cc4ccnc(-c5nn[n-]n5)c4)CC3)c[nH]c2c1 ZINC000826376311 1441500314 /nfs/dbraw/zinc/50/03/14/1441500314.db2.gz XKSKASUSJXUBDY-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN Cc1[nH+]ccn1[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000822478554 1441503777 /nfs/dbraw/zinc/50/37/77/1441503777.db2.gz UFJVMEMJLQIUIH-CYBMUJFWSA-N 0 1 377.374 3.232 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000822016401 1441503957 /nfs/dbraw/zinc/50/39/57/1441503957.db2.gz ZYDFAYHUOKSQQB-UHFFFAOYSA-N 0 1 397.527 3.215 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299505 1441509355 /nfs/dbraw/zinc/50/93/55/1441509355.db2.gz LCWDKSGGEYRAJL-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299505 1441509358 /nfs/dbraw/zinc/50/93/58/1441509358.db2.gz LCWDKSGGEYRAJL-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299505 1441509361 /nfs/dbraw/zinc/50/93/61/1441509361.db2.gz LCWDKSGGEYRAJL-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN CC(C)(C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccccc1Cl ZINC000735670673 1441513139 /nfs/dbraw/zinc/51/31/39/1441513139.db2.gz UKLWIYHRMIIISV-UHFFFAOYSA-N 0 1 381.871 3.235 20 0 GGADMN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826146230 1441517490 /nfs/dbraw/zinc/51/74/90/1441517490.db2.gz SDKKKBURXSGHEF-TZIWHRDSSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824974535 1441527058 /nfs/dbraw/zinc/52/70/58/1441527058.db2.gz APMBMMZFCLYWSM-RVKKMQEKSA-N 0 1 398.536 3.041 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1C=Cc1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826407751 1441539494 /nfs/dbraw/zinc/53/94/94/1441539494.db2.gz ZHKVQMGPJSFAJJ-QWGSZXSUSA-N 0 1 394.504 3.435 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1C=Cc1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826407751 1441539496 /nfs/dbraw/zinc/53/94/96/1441539496.db2.gz ZHKVQMGPJSFAJJ-QWGSZXSUSA-N 0 1 394.504 3.435 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1C=Cc1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826407751 1441539497 /nfs/dbraw/zinc/53/94/97/1441539497.db2.gz ZHKVQMGPJSFAJJ-QWGSZXSUSA-N 0 1 394.504 3.435 20 0 GGADMN CC[N@@H+](CCc1nc2ccccc2n1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736541875 1441541576 /nfs/dbraw/zinc/54/15/76/1441541576.db2.gz LQQBCWKHQLPXTN-OAHLLOKOSA-N 0 1 375.480 3.379 20 0 GGADMN CC[N@H+](CCc1nc2ccccc2n1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736541875 1441541578 /nfs/dbraw/zinc/54/15/78/1441541578.db2.gz LQQBCWKHQLPXTN-OAHLLOKOSA-N 0 1 375.480 3.379 20 0 GGADMN CC[N@@H+](CCc1nc2ccccc2n1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736541875 1441541580 /nfs/dbraw/zinc/54/15/80/1441541580.db2.gz LQQBCWKHQLPXTN-OAHLLOKOSA-N 0 1 375.480 3.379 20 0 GGADMN O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823250460 1441542692 /nfs/dbraw/zinc/54/26/92/1441542692.db2.gz YCYSEIFUZQXRMW-UHFFFAOYSA-N 0 1 396.520 3.234 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000824906759 1441556320 /nfs/dbraw/zinc/55/63/20/1441556320.db2.gz DXOFENUOKUGHOE-DAYGRLMNSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824906759 1441556321 /nfs/dbraw/zinc/55/63/21/1441556321.db2.gz DXOFENUOKUGHOE-DAYGRLMNSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824906759 1441556323 /nfs/dbraw/zinc/55/63/23/1441556323.db2.gz DXOFENUOKUGHOE-DAYGRLMNSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCO1 ZINC000824985085 1441566143 /nfs/dbraw/zinc/56/61/43/1441566143.db2.gz RDUKYGQFECYLHA-MRXNPFEDSA-N 0 1 379.464 3.057 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000825918512 1441570950 /nfs/dbraw/zinc/57/09/50/1441570950.db2.gz GLAIMDAZCCVTDZ-UHFFFAOYSA-N 0 1 381.459 3.144 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@H](c2cccs2)C1 ZINC000822334741 1441581287 /nfs/dbraw/zinc/58/12/87/1441581287.db2.gz FRKSORYGYMYZTG-HNNXBMFYSA-N 0 1 378.461 3.363 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000820704241 1441581755 /nfs/dbraw/zinc/58/17/55/1441581755.db2.gz MZBWRMWOHRDBDF-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000820704241 1441581757 /nfs/dbraw/zinc/58/17/57/1441581757.db2.gz MZBWRMWOHRDBDF-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000820704241 1441581759 /nfs/dbraw/zinc/58/17/59/1441581759.db2.gz MZBWRMWOHRDBDF-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000825981750 1441583741 /nfs/dbraw/zinc/58/37/41/1441583741.db2.gz XLQJBCAFZSZQCX-LJQANCHMSA-N 0 1 379.464 3.057 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000823674918 1441586132 /nfs/dbraw/zinc/58/61/32/1441586132.db2.gz TZUKCVRFUNXMMW-PKOBYXMFSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000823674918 1441586138 /nfs/dbraw/zinc/58/61/38/1441586138.db2.gz TZUKCVRFUNXMMW-PKOBYXMFSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000823674918 1441586141 /nfs/dbraw/zinc/58/61/41/1441586141.db2.gz TZUKCVRFUNXMMW-PKOBYXMFSA-N 0 1 397.479 3.207 20 0 GGADMN C[NH+]1CCC([C@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccc(Cl)cc43)C2)CC1 ZINC000826022322 1441601715 /nfs/dbraw/zinc/60/17/15/1441601715.db2.gz JUTMXGDSLHQHSW-AWEZNQCLSA-N 0 1 397.914 3.236 20 0 GGADMN OCCC[N@@H+](Cc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCCc2ccccc21 ZINC000823718454 1441605540 /nfs/dbraw/zinc/60/55/40/1441605540.db2.gz USPNIGYVGKMQAN-FQEVSTJZSA-N 0 1 381.455 3.268 20 0 GGADMN CC(C)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824235291 1441611003 /nfs/dbraw/zinc/61/10/03/1441611003.db2.gz FDPPCIIWHAJOIC-LJQANCHMSA-N 0 1 399.520 3.017 20 0 GGADMN COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821693682 1441616727 /nfs/dbraw/zinc/61/67/27/1441616727.db2.gz JGGZDBODMJIJJL-HUUCEWRRSA-N 0 1 397.479 3.312 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820410039 1441620740 /nfs/dbraw/zinc/62/07/40/1441620740.db2.gz CFFOCISDBSPMPA-NEPJUHHUSA-N 0 1 393.476 3.154 20 0 GGADMN CCc1noc(C2CCC([NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)CC2)n1 ZINC000825777263 1441621990 /nfs/dbraw/zinc/62/19/90/1441621990.db2.gz RMWLDFMAIZZIEH-UHFFFAOYSA-N 0 1 379.468 3.117 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CCC([NH+]2CCCCC2)CC1 ZINC000823796495 1441622760 /nfs/dbraw/zinc/62/27/60/1441622760.db2.gz CKAFYCULYHXAHE-UHFFFAOYSA-N 0 1 378.484 3.019 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321880 1441628882 /nfs/dbraw/zinc/62/88/82/1441628882.db2.gz NKCKQPJLQACHOC-JXFKEZNVSA-N 0 1 390.491 3.099 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000826248878 1441644119 /nfs/dbraw/zinc/64/41/19/1441644119.db2.gz ABVXUXYEMRUBEJ-UHFFFAOYSA-N 0 1 390.491 3.091 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521240 1441649296 /nfs/dbraw/zinc/64/92/96/1441649296.db2.gz GAPNNXFMSNXALQ-HKUYNNGSSA-N 0 1 394.548 3.415 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515743 1441657578 /nfs/dbraw/zinc/65/75/78/1441657578.db2.gz JHXJFGGOUIVSHT-IRXDYDNUSA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515743 1441657580 /nfs/dbraw/zinc/65/75/80/1441657580.db2.gz JHXJFGGOUIVSHT-IRXDYDNUSA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515743 1441657583 /nfs/dbraw/zinc/65/75/83/1441657583.db2.gz JHXJFGGOUIVSHT-IRXDYDNUSA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515743 1441657586 /nfs/dbraw/zinc/65/75/86/1441657586.db2.gz JHXJFGGOUIVSHT-IRXDYDNUSA-N 0 1 380.521 3.312 20 0 GGADMN COc1cccc(C=C2CC[NH+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821863525 1441659631 /nfs/dbraw/zinc/65/96/31/1441659631.db2.gz MORLDGYPXAZOIK-OAQYLSRUSA-N 0 1 391.475 3.088 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000824109445 1441661009 /nfs/dbraw/zinc/66/10/09/1441661009.db2.gz QUKWNXBHWKOGPD-QZTJIDSGSA-N 0 1 398.511 3.137 20 0 GGADMN Cn1c(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc2c1cccc2F ZINC000826355264 1441661310 /nfs/dbraw/zinc/66/13/10/1441661310.db2.gz QZZULFDEGXMDOF-KRWDZBQOSA-N 0 1 391.454 3.102 20 0 GGADMN c1ccc(C[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823781045 1441662261 /nfs/dbraw/zinc/66/22/61/1441662261.db2.gz ZSJZPTIWBYWBPJ-GOSISDBHSA-N 0 1 387.447 3.124 20 0 GGADMN CC[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1OC ZINC000736372310 1441667108 /nfs/dbraw/zinc/66/71/08/1441667108.db2.gz WRNDDFCUIBDUSU-AWEZNQCLSA-N 0 1 386.481 3.006 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736268879 1441667348 /nfs/dbraw/zinc/66/73/48/1441667348.db2.gz VAAHJMMNGRMZDG-KBPBESRZSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736268879 1441667350 /nfs/dbraw/zinc/66/73/50/1441667350.db2.gz VAAHJMMNGRMZDG-KBPBESRZSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736268879 1441667352 /nfs/dbraw/zinc/66/73/52/1441667352.db2.gz VAAHJMMNGRMZDG-KBPBESRZSA-N 0 1 375.908 3.006 20 0 GGADMN FC(F)(F)c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1-c1nn[n-]n1 ZINC000737633800 1441671035 /nfs/dbraw/zinc/67/10/35/1441671035.db2.gz WGGONPQCBIWTMM-AWEZNQCLSA-N 0 1 380.418 3.340 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1CCOc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000822946397 1441692982 /nfs/dbraw/zinc/69/29/82/1441692982.db2.gz XEFYCPQCBOMCKK-AWEZNQCLSA-N 0 1 383.477 3.044 20 0 GGADMN C[NH+](C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)Cc1ccccc1 ZINC000736760988 1441694801 /nfs/dbraw/zinc/69/48/01/1441694801.db2.gz SGILSARGZCJMSY-HNNXBMFYSA-N 0 1 390.413 3.470 20 0 GGADMN CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825059568 1441706956 /nfs/dbraw/zinc/70/69/56/1441706956.db2.gz HANJDSDLENQNKA-NWDGAFQWSA-N 0 1 376.530 3.112 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000825144067 1441707357 /nfs/dbraw/zinc/70/73/57/1441707357.db2.gz YEDSBTSKVPCZJH-DIFFPNOSSA-N 0 1 386.406 3.213 20 0 GGADMN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826505788 1441711846 /nfs/dbraw/zinc/71/18/46/1441711846.db2.gz FNOKNAVHGXVMSC-NVXWUHKLSA-N 0 1 389.381 3.193 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822558095 1441726651 /nfs/dbraw/zinc/72/66/51/1441726651.db2.gz MKJPTLSPFSSRLT-XJKSGUPXSA-N 0 1 396.520 3.362 20 0 GGADMN C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585322 1441731931 /nfs/dbraw/zinc/73/19/31/1441731931.db2.gz PVZNSPSOJSIUPU-HUUCEWRRSA-N 0 1 386.500 3.164 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(F)cc1 ZINC000822020585 1441737200 /nfs/dbraw/zinc/73/72/00/1441737200.db2.gz FKCGCOBYMZNMJX-CHWSQXEVSA-N 0 1 392.442 3.307 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735828042 1441744255 /nfs/dbraw/zinc/74/42/55/1441744255.db2.gz ZBNPHKXKWBYTRQ-UHFFFAOYSA-N 0 1 398.555 3.411 20 0 GGADMN CC(C)C[N@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735828042 1441744260 /nfs/dbraw/zinc/74/42/60/1441744260.db2.gz ZBNPHKXKWBYTRQ-UHFFFAOYSA-N 0 1 398.555 3.411 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735828042 1441744265 /nfs/dbraw/zinc/74/42/65/1441744265.db2.gz ZBNPHKXKWBYTRQ-UHFFFAOYSA-N 0 1 398.555 3.411 20 0 GGADMN O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826507062 1441747346 /nfs/dbraw/zinc/74/73/46/1441747346.db2.gz IBMABCQFYQMRED-RDJZCZTQSA-N 0 1 389.381 3.193 20 0 GGADMN Brc1ccoc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000735374389 1441756902 /nfs/dbraw/zinc/75/69/02/1441756902.db2.gz BTJOZBHUWFLGEF-UHFFFAOYSA-N 0 1 394.298 3.245 20 0 GGADMN CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000821438035 1441758157 /nfs/dbraw/zinc/75/81/57/1441758157.db2.gz SEYRVADMJAHEJE-UHFFFAOYSA-N 0 1 392.419 3.336 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000826522522 1441771023 /nfs/dbraw/zinc/77/10/23/1441771023.db2.gz FDSZUYQKNRWTIJ-MRXNPFEDSA-N 0 1 398.474 3.375 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000826522522 1441771027 /nfs/dbraw/zinc/77/10/27/1441771027.db2.gz FDSZUYQKNRWTIJ-MRXNPFEDSA-N 0 1 398.474 3.375 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000826522522 1441771032 /nfs/dbraw/zinc/77/10/32/1441771032.db2.gz FDSZUYQKNRWTIJ-MRXNPFEDSA-N 0 1 398.474 3.375 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470502 1441776350 /nfs/dbraw/zinc/77/63/50/1441776350.db2.gz IYVLSDVAPQGVJM-MGPUTAFESA-N 0 1 390.491 3.195 20 0 GGADMN COc1ccc(C2CC[NH+](CCOc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821786220 1441781677 /nfs/dbraw/zinc/78/16/77/1441781677.db2.gz BRSIBFNCHSKCCU-UHFFFAOYSA-N 0 1 379.464 3.134 20 0 GGADMN C[C@H](CCNc1c2ccccc2nnc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820243011 1441790971 /nfs/dbraw/zinc/79/09/71/1441790971.db2.gz SVPMZVSHKCAMGO-OAHLLOKOSA-N 0 1 388.479 3.132 20 0 GGADMN C[C@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820243011 1441790972 /nfs/dbraw/zinc/79/09/72/1441790972.db2.gz SVPMZVSHKCAMGO-OAHLLOKOSA-N 0 1 388.479 3.132 20 0 GGADMN C[C@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820243011 1441790974 /nfs/dbraw/zinc/79/09/74/1441790974.db2.gz SVPMZVSHKCAMGO-OAHLLOKOSA-N 0 1 388.479 3.132 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC000735625392 1441796789 /nfs/dbraw/zinc/79/67/89/1441796789.db2.gz FCSCLSOUOKPBJE-INIZCTEOSA-N 0 1 398.511 3.088 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000735625392 1441796794 /nfs/dbraw/zinc/79/67/94/1441796794.db2.gz FCSCLSOUOKPBJE-INIZCTEOSA-N 0 1 398.511 3.088 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000735625392 1441796799 /nfs/dbraw/zinc/79/67/99/1441796799.db2.gz FCSCLSOUOKPBJE-INIZCTEOSA-N 0 1 398.511 3.088 20 0 GGADMN COc1cccc([C@@H](C)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821859991 1441798030 /nfs/dbraw/zinc/79/80/30/1441798030.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@@H](C)N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859991 1441798034 /nfs/dbraw/zinc/79/80/34/1441798034.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@@H](C)N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859991 1441798037 /nfs/dbraw/zinc/79/80/37/1441798037.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@@H](C)[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821859991 1441798042 /nfs/dbraw/zinc/79/80/42/1441798042.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@@H](C)[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821859991 1441798046 /nfs/dbraw/zinc/79/80/46/1441798046.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@@H](C)[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859991 1441798049 /nfs/dbraw/zinc/79/80/49/1441798049.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@@H](C)[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859991 1441798052 /nfs/dbraw/zinc/79/80/52/1441798052.db2.gz VNLSFGFHKGIIBZ-QGZVFWFLSA-N 0 1 392.507 3.144 20 0 GGADMN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323412 1441798369 /nfs/dbraw/zinc/79/83/69/1441798369.db2.gz NHDQAMWHUCTKBQ-UHFFFAOYSA-N 0 1 382.493 3.209 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824572142 1441805060 /nfs/dbraw/zinc/80/50/60/1441805060.db2.gz TUXTUNUWRYDAGP-ABKXIKBNSA-N 0 1 379.798 3.183 20 0 GGADMN C[C@@H](C[NH+]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1)c1ccccc1 ZINC000736003437 1441807354 /nfs/dbraw/zinc/80/73/54/1441807354.db2.gz YZUBKOZDNYUABJ-KRWDZBQOSA-N 0 1 399.502 3.341 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H](CC1CCCC1)c1ccccc1)C2 ZINC000826520720 1441815485 /nfs/dbraw/zinc/81/54/85/1441815485.db2.gz PYWJLPJNBFDRPD-QFBILLFUSA-N 0 1 392.511 3.016 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc2c1OCCCO2 ZINC000824293173 1441824477 /nfs/dbraw/zinc/82/44/77/1441824477.db2.gz HHEITPULHBPGFH-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826341365 1441840567 /nfs/dbraw/zinc/84/05/67/1441840567.db2.gz FYVTWAHAUYRYPN-VHSXEESVSA-N 0 1 390.394 3.033 20 0 GGADMN CCC[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC000821022666 1441841461 /nfs/dbraw/zinc/84/14/61/1441841461.db2.gz SNLRWHMLJJVOLW-LJQANCHMSA-N 0 1 377.496 3.362 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668956 1441841801 /nfs/dbraw/zinc/84/18/01/1441841801.db2.gz XQUROACAOUVIRG-ACJLOTCBSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668956 1441841803 /nfs/dbraw/zinc/84/18/03/1441841803.db2.gz XQUROACAOUVIRG-ACJLOTCBSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000736237194 1441853564 /nfs/dbraw/zinc/85/35/64/1441853564.db2.gz VBXNDCLGLDZENJ-PBHICJAKSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000736237194 1441853567 /nfs/dbraw/zinc/85/35/67/1441853567.db2.gz VBXNDCLGLDZENJ-PBHICJAKSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000736237194 1441853568 /nfs/dbraw/zinc/85/35/68/1441853568.db2.gz VBXNDCLGLDZENJ-PBHICJAKSA-N 0 1 397.914 3.404 20 0 GGADMN CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736557058 1441853728 /nfs/dbraw/zinc/85/37/28/1441853728.db2.gz WFQWMLPEZWEZIK-NSHDSACASA-N 0 1 390.900 3.431 20 0 GGADMN CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736557058 1441853733 /nfs/dbraw/zinc/85/37/33/1441853733.db2.gz WFQWMLPEZWEZIK-NSHDSACASA-N 0 1 390.900 3.431 20 0 GGADMN C[C@H](C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000736000199 1441859733 /nfs/dbraw/zinc/85/97/33/1441859733.db2.gz FRUBTNKQXUPWAE-GOSISDBHSA-N 0 1 376.508 3.178 20 0 GGADMN C[C@H](C[N@@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000736000199 1441859737 /nfs/dbraw/zinc/85/97/37/1441859737.db2.gz FRUBTNKQXUPWAE-GOSISDBHSA-N 0 1 376.508 3.178 20 0 GGADMN C[C@H](C[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC000736000199 1441859740 /nfs/dbraw/zinc/85/97/40/1441859740.db2.gz FRUBTNKQXUPWAE-GOSISDBHSA-N 0 1 376.508 3.178 20 0 GGADMN C[C@@H]([NH2+]CCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000824592914 1441863637 /nfs/dbraw/zinc/86/36/37/1441863637.db2.gz OPHJLZVNUIGTTQ-MRXNPFEDSA-N 0 1 389.463 3.172 20 0 GGADMN O=C(CCc1ccc(-c2nnn[n-]2)cc1)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826408424 1441870494 /nfs/dbraw/zinc/87/04/94/1441870494.db2.gz FQPNEMUUDAXOQH-HXUWFJFHSA-N 0 1 391.475 3.007 20 0 GGADMN COc1cccc(O[C@@H](C)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826217705 1441873620 /nfs/dbraw/zinc/87/36/20/1441873620.db2.gz YXUAEIODHMHGDF-VBKZILBWSA-N 0 1 379.464 3.310 20 0 GGADMN Cc1cc2oc(=O)cc(C[NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2cc1C ZINC000822212901 1441886712 /nfs/dbraw/zinc/88/67/12/1441886712.db2.gz MBKXWFQAALOKSD-AWEZNQCLSA-N 0 1 375.432 3.441 20 0 GGADMN C[C@H]1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820722932 1441892712 /nfs/dbraw/zinc/89/27/12/1441892712.db2.gz RTQJQTORQWBVIX-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820722932 1441892716 /nfs/dbraw/zinc/89/27/16/1441892716.db2.gz RTQJQTORQWBVIX-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820722932 1441892719 /nfs/dbraw/zinc/89/27/19/1441892719.db2.gz RTQJQTORQWBVIX-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CC2 ZINC000826352800 1441893476 /nfs/dbraw/zinc/89/34/76/1441893476.db2.gz OKKDLQGCNKGMEQ-GOSISDBHSA-N 0 1 395.898 3.161 20 0 GGADMN COCCOc1ccccc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826163104 1441904835 /nfs/dbraw/zinc/90/48/35/1441904835.db2.gz GUGPNGJTKIJJLR-UHFFFAOYSA-N 0 1 391.475 3.181 20 0 GGADMN CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736480249 1441916144 /nfs/dbraw/zinc/91/61/44/1441916144.db2.gz IYJJKFRRZHIDPD-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000825323382 1441917086 /nfs/dbraw/zinc/91/70/86/1441917086.db2.gz VGBXRCJMSXGETC-GOSISDBHSA-N 0 1 380.496 3.336 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000825323382 1441917087 /nfs/dbraw/zinc/91/70/87/1441917087.db2.gz VGBXRCJMSXGETC-GOSISDBHSA-N 0 1 380.496 3.336 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000825323382 1441917091 /nfs/dbraw/zinc/91/70/91/1441917091.db2.gz VGBXRCJMSXGETC-GOSISDBHSA-N 0 1 380.496 3.336 20 0 GGADMN C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000736288376 1441922942 /nfs/dbraw/zinc/92/29/42/1441922942.db2.gz BFJBIMPTYWBPSC-TXEJJXNPSA-N 0 1 398.433 3.185 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825068739 1441923712 /nfs/dbraw/zinc/92/37/12/1441923712.db2.gz WDIODPFAEAUWTE-KBPBESRZSA-N 0 1 396.470 3.385 20 0 GGADMN C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824568703 1441929082 /nfs/dbraw/zinc/92/90/82/1441929082.db2.gz CBLSCPLRNXEFSV-LBPRGKRZSA-N 0 1 383.427 3.363 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737031903 1441935152 /nfs/dbraw/zinc/93/51/52/1441935152.db2.gz ICQNBSIEVGZBLL-INIZCTEOSA-N 0 1 399.882 3.397 20 0 GGADMN Cc1cccc2c(NCCc3cccc4cccnc43)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737409356 1441935260 /nfs/dbraw/zinc/93/52/60/1441935260.db2.gz MVBBYXUAUQZNCN-UHFFFAOYSA-N 0 1 381.443 3.348 20 0 GGADMN CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820887354 1441937136 /nfs/dbraw/zinc/93/71/36/1441937136.db2.gz AKTPZUJKMDHPRR-UHFFFAOYSA-N 0 1 380.518 3.101 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)c1C ZINC000737390672 1441944617 /nfs/dbraw/zinc/94/46/17/1441944617.db2.gz UVVWGQWJACBNCL-MRXNPFEDSA-N 0 1 382.493 3.321 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000735513530 1441952087 /nfs/dbraw/zinc/95/20/87/1441952087.db2.gz NTPUVWMGTILWSU-KRWDZBQOSA-N 0 1 392.507 3.124 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735513530 1441952089 /nfs/dbraw/zinc/95/20/89/1441952089.db2.gz NTPUVWMGTILWSU-KRWDZBQOSA-N 0 1 392.507 3.124 20 0 GGADMN Clc1nsc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000737583400 1441961793 /nfs/dbraw/zinc/96/17/93/1441961793.db2.gz KKJPOHMGIAXUDP-GFCCVEGCSA-N 0 1 375.889 3.226 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826192945 1441965036 /nfs/dbraw/zinc/96/50/36/1441965036.db2.gz JJHRZGKIROECRX-WIYYLYMNSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192945 1441965037 /nfs/dbraw/zinc/96/50/37/1441965037.db2.gz JJHRZGKIROECRX-WIYYLYMNSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192945 1441965040 /nfs/dbraw/zinc/96/50/40/1441965040.db2.gz JJHRZGKIROECRX-WIYYLYMNSA-N 0 1 393.491 3.475 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824385450 1441968365 /nfs/dbraw/zinc/96/83/65/1441968365.db2.gz UFNPMXIGYAMGLR-CYBMUJFWSA-N 0 1 380.427 3.002 20 0 GGADMN COc1ccc2c(c1)[nH+]ccc2N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826212332 1441968424 /nfs/dbraw/zinc/96/84/24/1441968424.db2.gz NINAOEHOKPGUNZ-HXUWFJFHSA-N 0 1 388.431 3.001 20 0 GGADMN CCC(CC)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CC1 ZINC000736346111 1441979339 /nfs/dbraw/zinc/97/93/39/1441979339.db2.gz QVTKTLPNTCRSRD-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN CCC(CC)[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CC1 ZINC000736346111 1441979341 /nfs/dbraw/zinc/97/93/41/1441979341.db2.gz QVTKTLPNTCRSRD-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN CCC(CC)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CC1 ZINC000736346111 1441979344 /nfs/dbraw/zinc/97/93/44/1441979344.db2.gz QVTKTLPNTCRSRD-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN Cc1ccnc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826313615 1441979722 /nfs/dbraw/zinc/97/97/22/1441979722.db2.gz NOQQGRNISTWONR-AEFFLSMTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccnc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826313615 1441979725 /nfs/dbraw/zinc/97/97/25/1441979725.db2.gz NOQQGRNISTWONR-AEFFLSMTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccnc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826313615 1441979728 /nfs/dbraw/zinc/97/97/28/1441979728.db2.gz NOQQGRNISTWONR-AEFFLSMTSA-N 0 1 377.496 3.283 20 0 GGADMN CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820038845 1441981511 /nfs/dbraw/zinc/98/15/11/1441981511.db2.gz TXGGCYAQCKLTEI-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820038845 1441981512 /nfs/dbraw/zinc/98/15/12/1441981512.db2.gz TXGGCYAQCKLTEI-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820038845 1441981515 /nfs/dbraw/zinc/98/15/15/1441981515.db2.gz TXGGCYAQCKLTEI-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CC[NH+](CC)Cc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000821198893 1441985595 /nfs/dbraw/zinc/98/55/95/1441985595.db2.gz XNTGHUDGJWDYSG-UHFFFAOYSA-N 0 1 387.491 3.291 20 0 GGADMN CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccccc1 ZINC000736322733 1441986794 /nfs/dbraw/zinc/98/67/94/1441986794.db2.gz OLOZABYUWAGMNQ-AWEZNQCLSA-N 0 1 395.511 3.002 20 0 GGADMN COc1ccc([C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)N2CCCCC2)cc1 ZINC000826188735 1441986992 /nfs/dbraw/zinc/98/69/92/1441986992.db2.gz FBKJVBGYIBWLJT-OAQYLSRUSA-N 0 1 392.507 3.192 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826168877 1441987092 /nfs/dbraw/zinc/98/70/92/1441987092.db2.gz BBNQZXFCYJIWTA-OAHLLOKOSA-N 0 1 385.855 3.182 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826168877 1441987094 /nfs/dbraw/zinc/98/70/94/1441987094.db2.gz BBNQZXFCYJIWTA-OAHLLOKOSA-N 0 1 385.855 3.182 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(c2ccccc2C)CC1 ZINC000821651629 1441988153 /nfs/dbraw/zinc/98/81/53/1441988153.db2.gz CQTKLBKIDAXGAZ-FQEVSTJZSA-N 0 1 391.475 3.269 20 0 GGADMN Cc1cc(C)cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737251599 1441988848 /nfs/dbraw/zinc/98/88/48/1441988848.db2.gz UKAMMJAHAANCQR-UHFFFAOYSA-N 0 1 390.491 3.334 20 0 GGADMN Cn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360354 1441998850 /nfs/dbraw/zinc/99/88/50/1441998850.db2.gz HRMMXMWTFRMPEH-UHFFFAOYSA-N 0 1 377.496 3.445 20 0 GGADMN CC(C)C[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735830755 1442023606 /nfs/dbraw/zinc/02/36/06/1442023606.db2.gz INOSYEZTSMYBHB-UHFFFAOYSA-N 0 1 388.479 3.106 20 0 GGADMN CC(C)C[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735830755 1442023610 /nfs/dbraw/zinc/02/36/10/1442023610.db2.gz INOSYEZTSMYBHB-UHFFFAOYSA-N 0 1 388.479 3.106 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822351738 1442029945 /nfs/dbraw/zinc/02/99/45/1442029945.db2.gz PTTFRUOLRYPWPW-MRXNPFEDSA-N 0 1 380.452 3.161 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000820112263 1442057126 /nfs/dbraw/zinc/05/71/26/1442057126.db2.gz PBFMIBBZOAISHH-UHFFFAOYSA-N 0 1 394.470 3.020 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000820112263 1442057132 /nfs/dbraw/zinc/05/71/32/1442057132.db2.gz PBFMIBBZOAISHH-UHFFFAOYSA-N 0 1 394.470 3.020 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000820112263 1442057134 /nfs/dbraw/zinc/05/71/34/1442057134.db2.gz PBFMIBBZOAISHH-UHFFFAOYSA-N 0 1 394.470 3.020 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000820112263 1442057138 /nfs/dbraw/zinc/05/71/38/1442057138.db2.gz PBFMIBBZOAISHH-UHFFFAOYSA-N 0 1 394.470 3.020 20 0 GGADMN Cc1oc2ccccc2c1C[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826342406 1442059262 /nfs/dbraw/zinc/05/92/62/1442059262.db2.gz IYYQIJGNVLSSBG-FQEVSTJZSA-N 0 1 375.432 3.495 20 0 GGADMN Fc1cccc([C@@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CCO2)c1 ZINC000822786507 1442064923 /nfs/dbraw/zinc/06/49/23/1442064923.db2.gz LMVGBQJBIMASAD-SFHVURJKSA-N 0 1 376.395 3.132 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000821702270 1442072774 /nfs/dbraw/zinc/07/27/74/1442072774.db2.gz NWKLBRYAMDVKLF-KDOFPFPSSA-N 0 1 397.454 3.476 20 0 GGADMN COC1CC[NH+](C2(CNc3ccc(-c4nn[n-]n4)c(Cl)c3)CCCC2)CC1 ZINC000736962424 1442074591 /nfs/dbraw/zinc/07/45/91/1442074591.db2.gz PAWRPBOEYVQPTK-UHFFFAOYSA-N 0 1 390.919 3.356 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000826169619 1442079507 /nfs/dbraw/zinc/07/95/07/1442079507.db2.gz YKQNBZKYTHUZPW-JKSUJKDBSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000826169619 1442079509 /nfs/dbraw/zinc/07/95/09/1442079509.db2.gz YKQNBZKYTHUZPW-JKSUJKDBSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000826169619 1442079512 /nfs/dbraw/zinc/07/95/12/1442079512.db2.gz YKQNBZKYTHUZPW-JKSUJKDBSA-N 0 1 385.493 3.025 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000826182155 1442082142 /nfs/dbraw/zinc/08/21/42/1442082142.db2.gz BIYAWSNJWMBOJW-UHFFFAOYSA-N 0 1 389.463 3.131 20 0 GGADMN CO[C@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)c1ccc(Cl)cc1 ZINC000821676560 1442090169 /nfs/dbraw/zinc/09/01/69/1442090169.db2.gz AQGVHVPIMDYUHN-QGZVFWFLSA-N 0 1 380.839 3.290 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826507078 1442109163 /nfs/dbraw/zinc/10/91/63/1442109163.db2.gz IIDQDYCGNNFDQR-SJORKVTESA-N 0 1 389.381 3.193 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826507078 1442109165 /nfs/dbraw/zinc/10/91/65/1442109165.db2.gz IIDQDYCGNNFDQR-SJORKVTESA-N 0 1 389.381 3.193 20 0 GGADMN Fc1ccc(C2=CC[C@@H]([NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826374410 1442110316 /nfs/dbraw/zinc/11/03/16/1442110316.db2.gz XZUUCOOUYPZYNV-GOSISDBHSA-N 0 1 389.438 3.379 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000824109446 1442118660 /nfs/dbraw/zinc/11/86/60/1442118660.db2.gz QUKWNXBHWKOGPD-ROUUACIJSA-N 0 1 398.511 3.137 20 0 GGADMN FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826368561 1442120347 /nfs/dbraw/zinc/12/03/47/1442120347.db2.gz UTSZAROVVKFOIC-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826368561 1442120351 /nfs/dbraw/zinc/12/03/51/1442120351.db2.gz UTSZAROVVKFOIC-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN C[C@H]([NH2+]C1(CNc2ccc(F)cc2-c2nn[n-]n2)CCOCC1)c1ccccc1 ZINC000820412673 1442136507 /nfs/dbraw/zinc/13/65/07/1442136507.db2.gz MJOCRIBABMSGMX-HNNXBMFYSA-N 0 1 396.470 3.318 20 0 GGADMN O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826399028 1442138420 /nfs/dbraw/zinc/13/84/20/1442138420.db2.gz KQNJDAKJUPZETQ-UYAOXDASSA-N 0 1 394.523 3.015 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000737526019 1442140414 /nfs/dbraw/zinc/14/04/14/1442140414.db2.gz VJLKDHXDEAIYRB-QGZVFWFLSA-N 0 1 380.500 3.292 20 0 GGADMN C[NH+](C)CCOc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825870638 1442157954 /nfs/dbraw/zinc/15/79/54/1442157954.db2.gz WFNJJUGYHICKGC-FQEVSTJZSA-N 0 1 378.480 3.297 20 0 GGADMN O[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(Cl)c(F)c1 ZINC000826502691 1442163867 /nfs/dbraw/zinc/16/38/67/1442163867.db2.gz IVWWVYJQAXHPBJ-ZWKOTPCHSA-N 0 1 387.846 3.360 20 0 GGADMN CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825059570 1442165715 /nfs/dbraw/zinc/16/57/15/1442165715.db2.gz HANJDSDLENQNKA-VXGBXAGGSA-N 0 1 376.530 3.112 20 0 GGADMN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736224561 1442167773 /nfs/dbraw/zinc/16/77/73/1442167773.db2.gz NFDIEHALCILRCU-UTUOFQBUSA-N 0 1 383.422 3.059 20 0 GGADMN FC(F)(F)c1cc(N2CCC(C[NH+]3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000822724128 1442172608 /nfs/dbraw/zinc/17/26/08/1442172608.db2.gz ZSZNKFTUPIKDPS-UHFFFAOYSA-N 0 1 380.418 3.198 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737031278 1442173710 /nfs/dbraw/zinc/17/37/10/1442173710.db2.gz DPDGYEBAIBJUCD-QGZVFWFLSA-N 0 1 395.463 3.100 20 0 GGADMN CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000825459841 1442173716 /nfs/dbraw/zinc/17/37/16/1442173716.db2.gz ORYJXNLTTNKSTJ-KRWDZBQOSA-N 0 1 391.523 3.177 20 0 GGADMN COc1ccccc1OCCCNc1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826220190 1442176796 /nfs/dbraw/zinc/17/67/96/1442176796.db2.gz FQLCVTRAFJNOHV-UHFFFAOYSA-N 0 1 380.452 3.030 20 0 GGADMN C[C@@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC000820761885 1442187824 /nfs/dbraw/zinc/18/78/24/1442187824.db2.gz ZYUQYUYZXAKDHG-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC000820761885 1442187830 /nfs/dbraw/zinc/18/78/30/1442187830.db2.gz ZYUQYUYZXAKDHG-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN C[NH+](C)C1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCCCCC1 ZINC000736757887 1442192444 /nfs/dbraw/zinc/19/24/44/1442192444.db2.gz YYEOYKRDFYOKTR-UHFFFAOYSA-N 0 1 383.422 3.347 20 0 GGADMN c1ccc2c(c1)ccnc2CN1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522631 1442196031 /nfs/dbraw/zinc/19/60/31/1442196031.db2.gz IKGNFTIJZVHBHG-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)ccnc2CN1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522631 1442196036 /nfs/dbraw/zinc/19/60/36/1442196036.db2.gz IKGNFTIJZVHBHG-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)ccnc2CN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522631 1442196041 /nfs/dbraw/zinc/19/60/41/1442196041.db2.gz IKGNFTIJZVHBHG-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)ccnc2C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522631 1442196047 /nfs/dbraw/zinc/19/60/47/1442196047.db2.gz IKGNFTIJZVHBHG-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(c1)ccnc2C[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522631 1442196052 /nfs/dbraw/zinc/19/60/52/1442196052.db2.gz IKGNFTIJZVHBHG-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN Cc1cccc2c(N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822335737 1442206875 /nfs/dbraw/zinc/20/68/75/1442206875.db2.gz LGTKDHIRBIIFGJ-SCLBCKFNSA-N 0 1 392.438 3.208 20 0 GGADMN Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826285215 1442230974 /nfs/dbraw/zinc/23/09/74/1442230974.db2.gz SBCUSWIIWZUPBY-NRFANRHFSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(C)c(OCCC[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826285215 1442230976 /nfs/dbraw/zinc/23/09/76/1442230976.db2.gz SBCUSWIIWZUPBY-NRFANRHFSA-N 0 1 393.491 3.326 20 0 GGADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825668104 1442238337 /nfs/dbraw/zinc/23/83/37/1442238337.db2.gz AOJUXVFFQUGRSM-CQSZACIVSA-N 0 1 385.541 3.231 20 0 GGADMN CCSCC[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825668104 1442238340 /nfs/dbraw/zinc/23/83/40/1442238340.db2.gz AOJUXVFFQUGRSM-CQSZACIVSA-N 0 1 385.541 3.231 20 0 GGADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825668104 1442238343 /nfs/dbraw/zinc/23/83/43/1442238343.db2.gz AOJUXVFFQUGRSM-CQSZACIVSA-N 0 1 385.541 3.231 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000826190171 1442239360 /nfs/dbraw/zinc/23/93/60/1442239360.db2.gz RXAGXVQPEYSUKY-QGZVFWFLSA-N 0 1 395.463 3.230 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000736195988 1442242654 /nfs/dbraw/zinc/24/26/54/1442242654.db2.gz IKONKYAUQDZLCM-OAHLLOKOSA-N 0 1 382.512 3.089 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000820091798 1442256740 /nfs/dbraw/zinc/25/67/40/1442256740.db2.gz AQJMPBTUBFLKKB-LBPRGKRZSA-N 0 1 387.438 3.083 20 0 GGADMN CC(C)C[N@@H+]1CC[C@@H](CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000820091798 1442256745 /nfs/dbraw/zinc/25/67/45/1442256745.db2.gz AQJMPBTUBFLKKB-LBPRGKRZSA-N 0 1 387.438 3.083 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000820091798 1442256752 /nfs/dbraw/zinc/25/67/52/1442256752.db2.gz AQJMPBTUBFLKKB-LBPRGKRZSA-N 0 1 387.438 3.083 20 0 GGADMN COc1ccc(OC(F)F)c(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826211352 1442258651 /nfs/dbraw/zinc/25/86/51/1442258651.db2.gz YRBIWERLQOYVFW-UHFFFAOYSA-N 0 1 375.379 3.109 20 0 GGADMN COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826211352 1442258656 /nfs/dbraw/zinc/25/86/56/1442258656.db2.gz YRBIWERLQOYVFW-UHFFFAOYSA-N 0 1 375.379 3.109 20 0 GGADMN c1cnn(-c2cccc(C[N@@H+]3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)c2)c1 ZINC000823868211 1442262010 /nfs/dbraw/zinc/26/20/10/1442262010.db2.gz REJVFNLYADPVRX-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737033154 1442273001 /nfs/dbraw/zinc/27/30/01/1442273001.db2.gz REHYAWXDLAFGJQ-AEFFLSMTSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737033154 1442273004 /nfs/dbraw/zinc/27/30/04/1442273004.db2.gz REHYAWXDLAFGJQ-AEFFLSMTSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737033154 1442273007 /nfs/dbraw/zinc/27/30/07/1442273007.db2.gz REHYAWXDLAFGJQ-AEFFLSMTSA-N 0 1 393.491 3.441 20 0 GGADMN C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735994560 1442283521 /nfs/dbraw/zinc/28/35/21/1442283521.db2.gz ZURWZEUUMLHCAZ-INIZCTEOSA-N 0 1 380.471 3.149 20 0 GGADMN c1ccc(C2CC([NH2+]C3CCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)C2)cc1 ZINC000826520430 1442298335 /nfs/dbraw/zinc/29/83/35/1442298335.db2.gz IZRUGDOBWZCVSD-UHFFFAOYSA-N 0 1 388.519 3.367 20 0 GGADMN Fc1cc(Br)ccc1CCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737645222 1442316512 /nfs/dbraw/zinc/31/65/12/1442316512.db2.gz SNARCNPDIPCNQM-UHFFFAOYSA-N 0 1 390.260 3.491 20 0 GGADMN Clc1ccc(NCC2CC[NH+](Cc3cccs3)CC2)nc1-c1nnn[n-]1 ZINC000737576248 1442329497 /nfs/dbraw/zinc/32/94/97/1442329497.db2.gz ZUYOYJNGPVRMDR-UHFFFAOYSA-N 0 1 389.916 3.301 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824824274 1442335074 /nfs/dbraw/zinc/33/50/74/1442335074.db2.gz TVZWADKOWBSZDB-GOSISDBHSA-N 0 1 392.529 3.055 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737330278 1442351367 /nfs/dbraw/zinc/35/13/67/1442351367.db2.gz NAUJKNAQQQEFPO-CTNGQTDRSA-N 0 1 393.491 3.142 20 0 GGADMN C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627591 1442356873 /nfs/dbraw/zinc/35/68/73/1442356873.db2.gz ZLNGEDZBGWGIBJ-LLVKDONJSA-N 0 1 398.268 3.128 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826219540 1442361102 /nfs/dbraw/zinc/36/11/02/1442361102.db2.gz GSKXHLCJGLULRJ-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826219540 1442361104 /nfs/dbraw/zinc/36/11/04/1442361104.db2.gz GSKXHLCJGLULRJ-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826219540 1442361108 /nfs/dbraw/zinc/36/11/08/1442361108.db2.gz GSKXHLCJGLULRJ-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000824305645 1442361471 /nfs/dbraw/zinc/36/14/71/1442361471.db2.gz RUTJZDAAJBIYRH-GOSISDBHSA-N 0 1 383.427 3.178 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC12CC[NH+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001139850543 1442368582 /nfs/dbraw/zinc/36/85/82/1442368582.db2.gz DLAXAZLUOZPVCP-UHFFFAOYSA-N 0 1 398.511 3.232 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820642990 1442370740 /nfs/dbraw/zinc/37/07/40/1442370740.db2.gz OHDUODPJKKPUBE-SJLPKXTDSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642990 1442370742 /nfs/dbraw/zinc/37/07/42/1442370742.db2.gz OHDUODPJKKPUBE-SJLPKXTDSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642990 1442370748 /nfs/dbraw/zinc/37/07/48/1442370748.db2.gz OHDUODPJKKPUBE-SJLPKXTDSA-N 0 1 390.491 3.148 20 0 GGADMN CCN(CC)[C@H](C[NH2+]Cc1cc(-c2nn[n-]n2)cs1)c1cccc(OC)c1 ZINC000821180507 1442373931 /nfs/dbraw/zinc/37/39/31/1442373931.db2.gz DMJHXNXKCKNKOS-GOSISDBHSA-N 0 1 386.525 3.110 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000822761423 1442378683 /nfs/dbraw/zinc/37/86/83/1442378683.db2.gz MCPCDLSYBZNMIG-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN CCS[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825668981 1442380751 /nfs/dbraw/zinc/38/07/51/1442380751.db2.gz NRXIBUCMFUTOGT-ROUUACIJSA-N 0 1 397.552 3.421 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737638274 1442387458 /nfs/dbraw/zinc/38/74/58/1442387458.db2.gz FNOTVWNZLMTLQJ-LBPRGKRZSA-N 0 1 395.364 3.127 20 0 GGADMN Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000826284749 1442400527 /nfs/dbraw/zinc/40/05/27/1442400527.db2.gz DINOZMIYBSSRDG-SUMWQHHRSA-N 0 1 377.452 3.389 20 0 GGADMN C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820359084 1442407907 /nfs/dbraw/zinc/40/79/07/1442407907.db2.gz RLVVSQKBZULTCB-HNNXBMFYSA-N 0 1 397.527 3.024 20 0 GGADMN CN(CCc1ccc(Br)cc1)c1[nH+]c2c(cc1-c1nnn[n-]1)CCC2 ZINC000736804800 1442422947 /nfs/dbraw/zinc/42/29/47/1442422947.db2.gz WQTVNQAHNGMMDG-UHFFFAOYSA-N 0 1 399.296 3.192 20 0 GGADMN Brc1ccc(NC2CC[NH+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823832813 1442427290 /nfs/dbraw/zinc/42/72/90/1442427290.db2.gz VUCJRFZDCQJGIA-UHFFFAOYSA-N 0 1 391.317 3.448 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824540311 1442432544 /nfs/dbraw/zinc/43/25/44/1442432544.db2.gz WBMJXVRPSFWIGP-OYYNGEPBSA-N 0 1 396.882 3.143 20 0 GGADMN CC1(C)COCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824813416 1442435049 /nfs/dbraw/zinc/43/50/49/1442435049.db2.gz YDNWOLSFVORDSP-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)COCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824813416 1442435052 /nfs/dbraw/zinc/43/50/52/1442435052.db2.gz YDNWOLSFVORDSP-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN Cc1cc[nH+]c(N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311025 1442437146 /nfs/dbraw/zinc/43/71/46/1442437146.db2.gz QMNMEKCNLTZOQM-QZTJIDSGSA-N 0 1 378.480 3.443 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1cn(-c2ccccc2)nn1 ZINC000824546395 1442438341 /nfs/dbraw/zinc/43/83/41/1442438341.db2.gz IMRDASURDGPMEU-KUHUBIRLSA-N 0 1 386.463 3.176 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000826268110 1442456558 /nfs/dbraw/zinc/45/65/58/1442456558.db2.gz KFSOMKLZHDAMMK-OAHLLOKOSA-N 0 1 395.486 3.031 20 0 GGADMN Cc1ccc([C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[NH+]2CCCC2)cc1 ZINC000737318263 1442469503 /nfs/dbraw/zinc/46/95/03/1442469503.db2.gz BUOBAWNCPHJONC-MRXNPFEDSA-N 0 1 383.887 3.473 20 0 GGADMN C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000736125710 1442472173 /nfs/dbraw/zinc/47/21/73/1442472173.db2.gz YSGSJDNZVUDACU-HNNXBMFYSA-N 0 1 392.507 3.240 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000735875634 1442480585 /nfs/dbraw/zinc/48/05/85/1442480585.db2.gz XROCCCHPGSCIIE-UHFFFAOYSA-N 0 1 399.543 3.051 20 0 GGADMN Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001139854192 1442481109 /nfs/dbraw/zinc/48/11/09/1442481109.db2.gz YIEOUVUKECOECG-DFNIBXOVSA-N 0 1 392.511 3.258 20 0 GGADMN C[C@@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000824625855 1442486023 /nfs/dbraw/zinc/48/60/23/1442486023.db2.gz LHFHNDDVMZNFKZ-OAHLLOKOSA-N 0 1 387.447 3.087 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507315 1442486874 /nfs/dbraw/zinc/48/68/74/1442486874.db2.gz WJLBPYNAOKLIEM-TZMCWYRMSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824507315 1442486876 /nfs/dbraw/zinc/48/68/76/1442486876.db2.gz WJLBPYNAOKLIEM-TZMCWYRMSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824507315 1442486878 /nfs/dbraw/zinc/48/68/78/1442486878.db2.gz WJLBPYNAOKLIEM-TZMCWYRMSA-N 0 1 392.529 3.196 20 0 GGADMN Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826329005 1443064803 /nfs/dbraw/zinc/06/48/03/1443064803.db2.gz MQBFJJIBGSZHOH-CYBMUJFWSA-N 0 1 379.443 3.405 20 0 GGADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2CCOc2ccccc2-c2nnn[n-]2)c1 ZINC000736780340 1443079334 /nfs/dbraw/zinc/07/93/34/1443079334.db2.gz PYDDFTFEQCORPA-IBGZPJMESA-N 0 1 378.480 3.149 20 0 GGADMN CC[C@@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820945843 1443081623 /nfs/dbraw/zinc/08/16/23/1443081623.db2.gz YLHMVTGUBOEBPN-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820945843 1443081628 /nfs/dbraw/zinc/08/16/28/1443081628.db2.gz YLHMVTGUBOEBPN-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820945843 1443081634 /nfs/dbraw/zinc/08/16/34/1443081634.db2.gz YLHMVTGUBOEBPN-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820945843 1443081637 /nfs/dbraw/zinc/08/16/37/1443081637.db2.gz YLHMVTGUBOEBPN-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN C[C@H]([NH2+]C1(CNc2ccc(-c3nn[n-]n3)cc2)CCOCC1)c1ccccc1 ZINC000736130536 1443085890 /nfs/dbraw/zinc/08/58/90/1443085890.db2.gz HMQWLLQNCZWXEG-INIZCTEOSA-N 0 1 378.480 3.179 20 0 GGADMN C[C@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[C@@H](C)CO1 ZINC000824985608 1443089946 /nfs/dbraw/zinc/08/99/46/1443089946.db2.gz YJIFEDASEUJJNM-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[C@@H](C)CO1 ZINC000824985608 1443089950 /nfs/dbraw/zinc/08/99/50/1443089950.db2.gz YJIFEDASEUJJNM-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000737573373 1443091424 /nfs/dbraw/zinc/09/14/24/1443091424.db2.gz KPFCWVIRVZJOOV-UHFFFAOYSA-N 0 1 383.887 3.133 20 0 GGADMN COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826191885 1443099728 /nfs/dbraw/zinc/09/97/28/1443099728.db2.gz SNOXQLMWCDVDSU-OLZOCXBDSA-N 0 1 385.443 3.305 20 0 GGADMN CS[C@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826227147 1443099759 /nfs/dbraw/zinc/09/97/59/1443099759.db2.gz MPXPFRGUFPFSQG-ZDUSSCGKSA-N 0 1 382.331 3.347 20 0 GGADMN COc1ccccc1C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C[C@@H]1CCCO1 ZINC000737150789 1443100694 /nfs/dbraw/zinc/10/06/94/1443100694.db2.gz VQTYDCJLSFKYMQ-SFHVURJKSA-N 0 1 397.454 3.196 20 0 GGADMN C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627596 1443110135 /nfs/dbraw/zinc/11/01/35/1443110135.db2.gz ZMZXVPOXEYWZBM-ZDUSSCGKSA-N 0 1 377.427 3.257 20 0 GGADMN CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000824071809 1443119833 /nfs/dbraw/zinc/11/98/33/1443119833.db2.gz NUHGTHSRXGQDFX-WOJBJXKFSA-N 0 1 398.555 3.014 20 0 GGADMN Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826281720 1443123813 /nfs/dbraw/zinc/12/38/13/1443123813.db2.gz HGHOJZVNTPYZOC-MRXNPFEDSA-N 0 1 390.491 3.131 20 0 GGADMN Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]3O2)sc1C ZINC001139090167 1443128454 /nfs/dbraw/zinc/12/84/54/1443128454.db2.gz BLRHQDVRQOHREO-RCCFBDPRSA-N 0 1 396.520 3.292 20 0 GGADMN C[NH+](C)[C@@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(Cl)cc1 ZINC000821580972 1443132642 /nfs/dbraw/zinc/13/26/42/1443132642.db2.gz ADQMEZHWOPOHKA-KRWDZBQOSA-N 0 1 383.887 3.119 20 0 GGADMN Cc1cc[nH+]c(NC[C@H]2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)c1 ZINC000826313646 1443134550 /nfs/dbraw/zinc/13/45/50/1443134550.db2.gz OIQPXHCNWXDQMZ-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819939829 1443144489 /nfs/dbraw/zinc/14/44/89/1443144489.db2.gz KKYDJZPGLPGVJT-SJORKVTESA-N 0 1 386.500 3.040 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000819826029 1443159065 /nfs/dbraw/zinc/15/90/65/1443159065.db2.gz DBVKBHQNMBUVBP-AWEZNQCLSA-N 0 1 396.520 3.409 20 0 GGADMN Fc1ccc2c(c1)[nH+]ccc2N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826375939 1443165010 /nfs/dbraw/zinc/16/50/10/1443165010.db2.gz IIPKMNHRAOFRSJ-LJQANCHMSA-N 0 1 376.395 3.132 20 0 GGADMN COc1ccc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000821813467 1443168605 /nfs/dbraw/zinc/16/86/05/1443168605.db2.gz HXGGEYHUOMMQBM-UHFFFAOYSA-N 0 1 381.480 3.341 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000820086640 1443170299 /nfs/dbraw/zinc/17/02/99/1443170299.db2.gz CUEMNQKKIYKLST-UHFFFAOYSA-N 0 1 378.480 3.354 20 0 GGADMN CC(C)C[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000820086640 1443170302 /nfs/dbraw/zinc/17/03/02/1443170302.db2.gz CUEMNQKKIYKLST-UHFFFAOYSA-N 0 1 378.480 3.354 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000820086640 1443170305 /nfs/dbraw/zinc/17/03/05/1443170305.db2.gz CUEMNQKKIYKLST-UHFFFAOYSA-N 0 1 378.480 3.354 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H]1CCC[C@H]1O ZINC000825980925 1443178065 /nfs/dbraw/zinc/17/80/65/1443178065.db2.gz MEXQMTWABZRBJK-LAUBAEHRSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCC[C@H]1O ZINC000825980925 1443178067 /nfs/dbraw/zinc/17/80/67/1443178067.db2.gz MEXQMTWABZRBJK-LAUBAEHRSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCC[C@H]1O ZINC000825980925 1443178072 /nfs/dbraw/zinc/17/80/72/1443178072.db2.gz MEXQMTWABZRBJK-LAUBAEHRSA-N 0 1 393.491 3.039 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000826182794 1443186713 /nfs/dbraw/zinc/18/67/13/1443186713.db2.gz UKVWOPZJZALAFO-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000826182794 1443186716 /nfs/dbraw/zinc/18/67/16/1443186716.db2.gz UKVWOPZJZALAFO-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821596631 1443193319 /nfs/dbraw/zinc/19/33/19/1443193319.db2.gz QGCVLAGYZPXGJE-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821596631 1443193322 /nfs/dbraw/zinc/19/33/22/1443193322.db2.gz QGCVLAGYZPXGJE-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821596631 1443193325 /nfs/dbraw/zinc/19/33/25/1443193325.db2.gz QGCVLAGYZPXGJE-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824104375 1443199094 /nfs/dbraw/zinc/19/90/94/1443199094.db2.gz QLFDJRBNZOPMBI-FUHWJXTLSA-N 0 1 398.511 3.233 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000736899471 1443203087 /nfs/dbraw/zinc/20/30/87/1443203087.db2.gz ALHQCCHQPVJQCC-YSGRDPCXSA-N 0 1 391.475 3.206 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000736899471 1443203091 /nfs/dbraw/zinc/20/30/91/1443203091.db2.gz ALHQCCHQPVJQCC-YSGRDPCXSA-N 0 1 391.475 3.206 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737078492 1443205406 /nfs/dbraw/zinc/20/54/06/1443205406.db2.gz YIJXSVLIAWITIV-UHFFFAOYSA-N 0 1 398.898 3.159 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000826503152 1443207956 /nfs/dbraw/zinc/20/79/56/1443207956.db2.gz RSLIYNASPKBBCV-AEFFLSMTSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000826503152 1443207958 /nfs/dbraw/zinc/20/79/58/1443207958.db2.gz RSLIYNASPKBBCV-AEFFLSMTSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000826503152 1443207962 /nfs/dbraw/zinc/20/79/62/1443207962.db2.gz RSLIYNASPKBBCV-AEFFLSMTSA-N 0 1 385.418 3.233 20 0 GGADMN C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824592235 1443208259 /nfs/dbraw/zinc/20/82/59/1443208259.db2.gz KSIBMDUGLGUADD-GFCCVEGCSA-N 0 1 390.463 3.056 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736134920 1443213921 /nfs/dbraw/zinc/21/39/21/1443213921.db2.gz WGOUJUHECIEQHY-QWRGUYRKSA-N 0 1 388.834 3.337 20 0 GGADMN Fc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)C2)c(F)c1 ZINC000826375403 1443213934 /nfs/dbraw/zinc/21/39/34/1443213934.db2.gz MFULVHMURLPZCO-VQIMIIECSA-N 0 1 396.445 3.391 20 0 GGADMN CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149354 1443223457 /nfs/dbraw/zinc/22/34/57/1443223457.db2.gz WQCACKZCWINMNM-APWZRJJASA-N 0 1 396.539 3.431 20 0 GGADMN CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149354 1443223460 /nfs/dbraw/zinc/22/34/60/1443223460.db2.gz WQCACKZCWINMNM-APWZRJJASA-N 0 1 396.539 3.431 20 0 GGADMN CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149354 1443223464 /nfs/dbraw/zinc/22/34/64/1443223464.db2.gz WQCACKZCWINMNM-APWZRJJASA-N 0 1 396.539 3.431 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2nnn[n-]2)c1 ZINC000826374930 1443236577 /nfs/dbraw/zinc/23/65/77/1443236577.db2.gz SFENGRFEXXWBJH-CYBMUJFWSA-N 0 1 395.364 3.058 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824569948 1443237167 /nfs/dbraw/zinc/23/71/67/1443237167.db2.gz LDVJGMUYIYCPQS-MLGOLLRUSA-N 0 1 391.397 3.140 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821181359 1443244017 /nfs/dbraw/zinc/24/40/17/1443244017.db2.gz MBCBLVURILPGHD-NSHDSACASA-N 0 1 389.866 3.128 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824568714 1443246310 /nfs/dbraw/zinc/24/63/10/1443246310.db2.gz CIYDUNSCIWQAID-SJCJKPOMSA-N 0 1 391.397 3.140 20 0 GGADMN C[NH+]1CCC([C@H]2CCN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)C2)CC1 ZINC000826022373 1443254607 /nfs/dbraw/zinc/25/46/07/1443254607.db2.gz LAPKMSNUGTUTOT-ZDUSSCGKSA-N 0 1 380.418 3.054 20 0 GGADMN Cc1ccc([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826283537 1443259865 /nfs/dbraw/zinc/25/98/65/1443259865.db2.gz TWZBSBMHMHSGGT-MRXNPFEDSA-N 0 1 387.491 3.469 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H](CO)C(C)(C)C ZINC000825980945 1443260512 /nfs/dbraw/zinc/26/05/12/1443260512.db2.gz MOBDURQBTJFKIR-FQEVSTJZSA-N 0 1 395.507 3.285 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H](CO)C(C)(C)C ZINC000825980945 1443260515 /nfs/dbraw/zinc/26/05/15/1443260515.db2.gz MOBDURQBTJFKIR-FQEVSTJZSA-N 0 1 395.507 3.285 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H](CO)C(C)(C)C ZINC000825980945 1443260519 /nfs/dbraw/zinc/26/05/19/1443260519.db2.gz MOBDURQBTJFKIR-FQEVSTJZSA-N 0 1 395.507 3.285 20 0 GGADMN CC[C@H]1CCC[N@H+]1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000736402932 1443262337 /nfs/dbraw/zinc/26/23/37/1443262337.db2.gz QNHILAPLUPVYFR-HNNXBMFYSA-N 0 1 385.516 3.213 20 0 GGADMN Clc1ccc(-c2nnn[n-]2)c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000737571089 1443285033 /nfs/dbraw/zinc/28/50/33/1443285033.db2.gz RCPCVQFCTCVANU-MRXNPFEDSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1ccc(-c2nn[n-]n2)c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000737571089 1443285038 /nfs/dbraw/zinc/28/50/38/1443285038.db2.gz RCPCVQFCTCVANU-MRXNPFEDSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1ccc(-c2nn[n-]n2)c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000737571089 1443285044 /nfs/dbraw/zinc/28/50/44/1443285044.db2.gz RCPCVQFCTCVANU-MRXNPFEDSA-N 0 1 382.899 3.497 20 0 GGADMN C[NH+]1CCC([C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)CC1 ZINC000826022381 1443286918 /nfs/dbraw/zinc/28/69/18/1443286918.db2.gz LHZHVOPFWKDNAP-CYBMUJFWSA-N 0 1 380.418 3.054 20 0 GGADMN C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000825000607 1443299799 /nfs/dbraw/zinc/29/97/99/1443299799.db2.gz SXRJYGFRGFEMBA-KGLIPLIRSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000825000607 1443299801 /nfs/dbraw/zinc/29/98/01/1443299801.db2.gz SXRJYGFRGFEMBA-KGLIPLIRSA-N 0 1 383.887 3.014 20 0 GGADMN Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822581239 1443326870 /nfs/dbraw/zinc/32/68/70/1443326870.db2.gz FJABIRAXNXSTKA-SFHVURJKSA-N 0 1 395.898 3.161 20 0 GGADMN C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000824984336 1443328225 /nfs/dbraw/zinc/32/82/25/1443328225.db2.gz ISBZIPUSBJFPHD-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000824984336 1443328230 /nfs/dbraw/zinc/32/82/30/1443328230.db2.gz ISBZIPUSBJFPHD-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN Clc1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000737576238 1443332745 /nfs/dbraw/zinc/33/27/45/1443332745.db2.gz ZONQMKAOSQGYSS-OAHLLOKOSA-N 0 1 383.887 3.239 20 0 GGADMN Clc1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000737576238 1443332747 /nfs/dbraw/zinc/33/27/47/1443332747.db2.gz ZONQMKAOSQGYSS-OAHLLOKOSA-N 0 1 383.887 3.239 20 0 GGADMN Clc1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000737576238 1443332751 /nfs/dbraw/zinc/33/27/51/1443332751.db2.gz ZONQMKAOSQGYSS-OAHLLOKOSA-N 0 1 383.887 3.239 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000737628055 1443335962 /nfs/dbraw/zinc/33/59/62/1443335962.db2.gz VLCPFLDVNQYBBE-UHFFFAOYSA-N 0 1 394.426 3.417 20 0 GGADMN C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820315193 1443359999 /nfs/dbraw/zinc/35/99/99/1443359999.db2.gz MBEWNYKQVSCOCH-PXAZEXFGSA-N 0 1 384.871 3.000 20 0 GGADMN C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584529 1443367905 /nfs/dbraw/zinc/36/79/05/1443367905.db2.gz BUGJMDJDBBITHP-ZDUSSCGKSA-N 0 1 382.434 3.182 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CCCCc1ccccc1 ZINC000821649864 1443368265 /nfs/dbraw/zinc/36/82/65/1443368265.db2.gz FJPNZUQZAFKIKG-IBGZPJMESA-N 0 1 379.464 3.036 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CCCCc1ccccc1 ZINC000821649864 1443368268 /nfs/dbraw/zinc/36/82/68/1443368268.db2.gz FJPNZUQZAFKIKG-IBGZPJMESA-N 0 1 379.464 3.036 20 0 GGADMN c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000826520390 1443377686 /nfs/dbraw/zinc/37/76/86/1443377686.db2.gz IFMKGZXPYDQZDG-QFBILLFUSA-N 0 1 379.464 3.003 20 0 GGADMN c1cc(C[NH2+][C@H]2CCCSC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751642 1443378418 /nfs/dbraw/zinc/37/84/18/1443378418.db2.gz NXAGNIICVWWYHQ-SFHVURJKSA-N 0 1 381.505 3.431 20 0 GGADMN Cc1cc(N2CCC[C@H](Nc3ccc(Cl)cc3-c3nnn[n-]3)C2)nc(C)[nH+]1 ZINC000822207042 1443384734 /nfs/dbraw/zinc/38/47/34/1443384734.db2.gz JHMDNYICEXSAQC-AWEZNQCLSA-N 0 1 384.875 3.008 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547189 1443396546 /nfs/dbraw/zinc/39/65/46/1443396546.db2.gz NDTQJQYDSPTGAV-PBHICJAKSA-N 0 1 386.500 3.307 20 0 GGADMN Fc1ccc([C@@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CCO2)cc1 ZINC000737651502 1443411485 /nfs/dbraw/zinc/41/14/85/1443411485.db2.gz UXDZUSGJTNQSGX-SFHVURJKSA-N 0 1 376.395 3.132 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000736194534 1443413538 /nfs/dbraw/zinc/41/35/38/1443413538.db2.gz AAZUCAXXMNUWSY-OAHLLOKOSA-N 0 1 376.464 3.278 20 0 GGADMN CC1CCC2(CC1)OC[C@@H](C[NH2+][C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)O2 ZINC000824915160 1443423356 /nfs/dbraw/zinc/42/33/56/1443423356.db2.gz BSGGWJVIKJYCQC-IZRONLNNSA-N 0 1 383.496 3.156 20 0 GGADMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738051039 1443426570 /nfs/dbraw/zinc/42/65/70/1443426570.db2.gz XMZCLUMCAXHCDT-SFHVURJKSA-N 0 1 383.500 3.033 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738051039 1443426572 /nfs/dbraw/zinc/42/65/72/1443426572.db2.gz XMZCLUMCAXHCDT-SFHVURJKSA-N 0 1 383.500 3.033 20 0 GGADMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738051039 1443426573 /nfs/dbraw/zinc/42/65/73/1443426573.db2.gz XMZCLUMCAXHCDT-SFHVURJKSA-N 0 1 383.500 3.033 20 0 GGADMN CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435143 1443427797 /nfs/dbraw/zinc/42/77/97/1443427797.db2.gz NHOZYIWQOXCMRL-INIZCTEOSA-N 0 1 377.496 3.445 20 0 GGADMN Clc1ccc(OCCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737574044 1443429068 /nfs/dbraw/zinc/42/90/68/1443429068.db2.gz KCCPVSLAYXXBJP-UHFFFAOYSA-N 0 1 397.870 3.117 20 0 GGADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)N2CCCCC2)cc1 ZINC000737076917 1443439548 /nfs/dbraw/zinc/43/95/48/1443439548.db2.gz UCCSRAHDOWYJTR-NRFANRHFSA-N 0 1 392.507 3.192 20 0 GGADMN c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)ncc1-c1nnn[n-]1 ZINC000823751952 1443440482 /nfs/dbraw/zinc/44/04/82/1443440482.db2.gz TUPVTKJVJSMXDX-FRQCXROJSA-N 0 1 381.528 3.179 20 0 GGADMN Clc1ccc(Br)c(CC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822573913 1443448663 /nfs/dbraw/zinc/44/86/63/1443448663.db2.gz KUXWNCFDXYRFAX-UHFFFAOYSA-N 0 1 382.649 3.208 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000826176144 1443450112 /nfs/dbraw/zinc/45/01/12/1443450112.db2.gz CZNLMZNYSKBNBZ-HNNXBMFYSA-N 0 1 397.479 3.392 20 0 GGADMN Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737332424 1443452375 /nfs/dbraw/zinc/45/23/75/1443452375.db2.gz VXVAESGENDWSMO-PKOBYXMFSA-N 0 1 397.479 3.125 20 0 GGADMN CCc1nnc(NCc2ccccc2C[N@@H+](C)C(C)C)c(-c2nn[n-]n2)c1CC ZINC000821542629 1443455721 /nfs/dbraw/zinc/45/57/21/1443455721.db2.gz VBCAMOXRIWDZKD-UHFFFAOYSA-N 0 1 394.527 3.234 20 0 GGADMN CCc1nnc(NCc2ccccc2C[N@H+](C)C(C)C)c(-c2nnn[n-]2)c1CC ZINC000821542629 1443455723 /nfs/dbraw/zinc/45/57/23/1443455723.db2.gz VBCAMOXRIWDZKD-UHFFFAOYSA-N 0 1 394.527 3.234 20 0 GGADMN CCc1nnc(NCc2ccccc2C[N@@H+](C)C(C)C)c(-c2nnn[n-]2)c1CC ZINC000821542629 1443455725 /nfs/dbraw/zinc/45/57/25/1443455725.db2.gz VBCAMOXRIWDZKD-UHFFFAOYSA-N 0 1 394.527 3.234 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)C2)cc1 ZINC000822723914 1443459183 /nfs/dbraw/zinc/45/91/83/1443459183.db2.gz SMDOFQGUSURBGP-CYBMUJFWSA-N 0 1 394.426 3.316 20 0 GGADMN c1ccc([C@H](C[NH+]2CCCC2)Nc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000738425736 1443466245 /nfs/dbraw/zinc/46/62/45/1443466245.db2.gz NBBTVMBQPBCAKD-NRFANRHFSA-N 0 1 385.475 3.086 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735771290 1443493512 /nfs/dbraw/zinc/49/35/12/1443493512.db2.gz NASAZEMMEFEBQR-OXJNMPFZSA-N 0 1 392.507 3.362 20 0 GGADMN C[C@@H](C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(F)cc1 ZINC000824427100 1443506637 /nfs/dbraw/zinc/50/66/37/1443506637.db2.gz LJEGBEREFRXAEI-YCMKEVRSSA-N 0 1 396.470 3.484 20 0 GGADMN CCS[C@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825669201 1443518262 /nfs/dbraw/zinc/51/82/62/1443518262.db2.gz SBAUJSFFLURVCX-SFHVURJKSA-N 0 1 397.552 3.375 20 0 GGADMN CCS[C@H]1CCCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825669201 1443518264 /nfs/dbraw/zinc/51/82/64/1443518264.db2.gz SBAUJSFFLURVCX-SFHVURJKSA-N 0 1 397.552 3.375 20 0 GGADMN CCS[C@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825669201 1443518267 /nfs/dbraw/zinc/51/82/67/1443518267.db2.gz SBAUJSFFLURVCX-SFHVURJKSA-N 0 1 397.552 3.375 20 0 GGADMN C[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)[N@H+]1CCc2sccc2C1 ZINC000820280415 1443524154 /nfs/dbraw/zinc/52/41/54/1443524154.db2.gz FLEZGBGFBAKZQE-ZDUSSCGKSA-N 0 1 391.504 3.335 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@H](C)c3ccc4c(c3)OCO4)c2c1 ZINC000737248961 1443544303 /nfs/dbraw/zinc/54/43/03/1443544303.db2.gz PTEOYDLMEQWGRG-CYBMUJFWSA-N 0 1 388.431 3.355 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820294561 1443544384 /nfs/dbraw/zinc/54/43/84/1443544384.db2.gz UPVRWWIQINPHSW-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736665023 1443549759 /nfs/dbraw/zinc/54/97/59/1443549759.db2.gz NORCMOCBIPFNIV-CYBMUJFWSA-N 0 1 394.932 3.066 20 0 GGADMN CC[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2C1 ZINC000820908516 1443551141 /nfs/dbraw/zinc/55/11/41/1443551141.db2.gz NAGSQYNUYVNYCC-HRAATJIYSA-N 0 1 376.508 3.354 20 0 GGADMN CCC[C@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000825242501 1443559705 /nfs/dbraw/zinc/55/97/05/1443559705.db2.gz SLYMRQZVIMHMKL-KRWDZBQOSA-N 0 1 386.406 3.214 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@H]3CCN(c4ccccc4)C3)c2c1 ZINC000737247952 1443561240 /nfs/dbraw/zinc/56/12/40/1443561240.db2.gz BMMANYGZNPBRTL-QGZVFWFLSA-N 0 1 399.502 3.392 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000737032337 1443561699 /nfs/dbraw/zinc/56/16/99/1443561699.db2.gz JTEUEYLSBCLDCK-MAUKXSAKSA-N 0 1 379.464 3.132 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736804758 1443563883 /nfs/dbraw/zinc/56/38/83/1443563883.db2.gz UIOWKHROVRFAMZ-UHFFFAOYSA-N 0 1 390.260 3.443 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820419186 1443568335 /nfs/dbraw/zinc/56/83/35/1443568335.db2.gz FLHXJMBHESPBSW-CYBMUJFWSA-N 0 1 384.434 3.465 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822352159 1443577310 /nfs/dbraw/zinc/57/73/10/1443577310.db2.gz VNRNVUOZIWJMSE-OXQOHEQNSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822352159 1443577313 /nfs/dbraw/zinc/57/73/13/1443577313.db2.gz VNRNVUOZIWJMSE-OXQOHEQNSA-N 0 1 379.464 3.016 20 0 GGADMN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736822671 1443588137 /nfs/dbraw/zinc/58/81/37/1443588137.db2.gz PDSSXSOGAWVTRS-GOSISDBHSA-N 0 1 396.882 3.148 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736822671 1443588140 /nfs/dbraw/zinc/58/81/40/1443588140.db2.gz PDSSXSOGAWVTRS-GOSISDBHSA-N 0 1 396.882 3.148 20 0 GGADMN C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824619755 1443611132 /nfs/dbraw/zinc/61/11/32/1443611132.db2.gz ZVBFGOBNZRPTQT-OAHLLOKOSA-N 0 1 398.486 3.187 20 0 GGADMN C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824619755 1443611134 /nfs/dbraw/zinc/61/11/34/1443611134.db2.gz ZVBFGOBNZRPTQT-OAHLLOKOSA-N 0 1 398.486 3.187 20 0 GGADMN CCc1cc(-c2nn[n-]n2)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000736678978 1443617045 /nfs/dbraw/zinc/61/70/45/1443617045.db2.gz IGAYBQNTYJWHBX-UHFFFAOYSA-N 0 1 396.520 3.341 20 0 GGADMN Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1C ZINC000822237245 1443617760 /nfs/dbraw/zinc/61/77/60/1443617760.db2.gz LQRDASYYFIZZBI-UHFFFAOYSA-N 0 1 390.491 3.477 20 0 GGADMN Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1C ZINC000822237245 1443617761 /nfs/dbraw/zinc/61/77/61/1443617761.db2.gz LQRDASYYFIZZBI-UHFFFAOYSA-N 0 1 390.491 3.477 20 0 GGADMN Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1C ZINC000822237245 1443617763 /nfs/dbraw/zinc/61/77/63/1443617763.db2.gz LQRDASYYFIZZBI-UHFFFAOYSA-N 0 1 390.491 3.477 20 0 GGADMN OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1-c1nnn[n-]1 ZINC000826509768 1443621453 /nfs/dbraw/zinc/62/14/53/1443621453.db2.gz JGXDZNWIMZRDNG-UHFFFAOYSA-N 0 1 378.263 3.168 20 0 GGADMN O[C@H](C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675381 1443643479 /nfs/dbraw/zinc/64/34/79/1443643479.db2.gz WLWSXVYQJKRAMN-OAQYLSRUSA-N 0 1 388.475 3.261 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000736683538 1443643569 /nfs/dbraw/zinc/64/35/69/1443643569.db2.gz DUEYDUZZXPVAES-QGZVFWFLSA-N 0 1 380.452 3.188 20 0 GGADMN Cc1ccc(CC[C@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000822236343 1443643747 /nfs/dbraw/zinc/64/37/47/1443643747.db2.gz UXJXEZHXCQXUPZ-KRWDZBQOSA-N 0 1 391.523 3.150 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000736199840 1443647381 /nfs/dbraw/zinc/64/73/81/1443647381.db2.gz ZCSJDFVSKCEZLJ-HNNXBMFYSA-N 0 1 397.527 3.024 20 0 GGADMN CC[C@@H]([NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000825139694 1443648302 /nfs/dbraw/zinc/64/83/02/1443648302.db2.gz GYWCWMQJTBYRAH-QGZVFWFLSA-N 0 1 377.448 3.368 20 0 GGADMN CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363390 1443648370 /nfs/dbraw/zinc/64/83/70/1443648370.db2.gz ZVXNLNMCZJYUGV-AWEZNQCLSA-N 0 1 398.898 3.394 20 0 GGADMN CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363390 1443648373 /nfs/dbraw/zinc/64/83/73/1443648373.db2.gz ZVXNLNMCZJYUGV-AWEZNQCLSA-N 0 1 398.898 3.394 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820759028 1443655010 /nfs/dbraw/zinc/65/50/10/1443655010.db2.gz GXRMXEKYHUUAPC-JIPZTSHUSA-N 0 1 394.498 3.252 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737419519 1443655394 /nfs/dbraw/zinc/65/53/94/1443655394.db2.gz DEBODMBACVOWEQ-UONOGXRCSA-N 0 1 382.493 3.053 20 0 GGADMN O=C(CC[N@@H+](C1CC1)C1CCCC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737837352 1443662610 /nfs/dbraw/zinc/66/26/10/1443662610.db2.gz FQGKSNOMQNRZMR-UHFFFAOYSA-N 0 1 386.525 3.153 20 0 GGADMN O=C(CC[N@H+](C1CC1)C1CCCC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737837352 1443662612 /nfs/dbraw/zinc/66/26/12/1443662612.db2.gz FQGKSNOMQNRZMR-UHFFFAOYSA-N 0 1 386.525 3.153 20 0 GGADMN O=C(CC[N@@H+](C1CC1)C1CCCC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737837352 1443662613 /nfs/dbraw/zinc/66/26/13/1443662613.db2.gz FQGKSNOMQNRZMR-UHFFFAOYSA-N 0 1 386.525 3.153 20 0 GGADMN COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826220177 1443678511 /nfs/dbraw/zinc/67/85/11/1443678511.db2.gz FKUKFFSTOUXFBZ-KBXCAEBGSA-N 0 1 379.464 3.310 20 0 GGADMN C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824670692 1443686324 /nfs/dbraw/zinc/68/63/24/1443686324.db2.gz UGZRCCKTAPVWTA-DZGCQCFKSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824670692 1443686327 /nfs/dbraw/zinc/68/63/27/1443686327.db2.gz UGZRCCKTAPVWTA-DZGCQCFKSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824670692 1443686330 /nfs/dbraw/zinc/68/63/30/1443686330.db2.gz UGZRCCKTAPVWTA-DZGCQCFKSA-N 0 1 383.887 3.238 20 0 GGADMN Cc1cccc(C2(O)CC[NH+](Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1C ZINC000822299666 1443686923 /nfs/dbraw/zinc/68/69/23/1443686923.db2.gz QLINGEPOZJXONY-UHFFFAOYSA-N 0 1 381.455 3.106 20 0 GGADMN Fc1ccc(OCCC[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737656941 1443695547 /nfs/dbraw/zinc/69/55/47/1443695547.db2.gz RBONDDCCDZQMHK-UHFFFAOYSA-N 0 1 397.454 3.318 20 0 GGADMN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826191854 1443700771 /nfs/dbraw/zinc/70/07/71/1443700771.db2.gz RSYUSLDISOENJZ-STQMWFEESA-N 0 1 385.443 3.305 20 0 GGADMN O=C1CC2(CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)CC2)c2cc(F)ccc21 ZINC001139850221 1443702903 /nfs/dbraw/zinc/70/29/03/1443702903.db2.gz SGRBGRDYZVXHJT-UHFFFAOYSA-N 0 1 377.423 3.126 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)CCc1cccc(F)c1 ZINC000736469870 1443704257 /nfs/dbraw/zinc/70/42/57/1443704257.db2.gz FILBUIPWIRVLFX-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)CCc1cccc(F)c1 ZINC000736469870 1443704260 /nfs/dbraw/zinc/70/42/60/1443704260.db2.gz FILBUIPWIRVLFX-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)CCc1cccc(F)c1 ZINC000736469870 1443704262 /nfs/dbraw/zinc/70/42/62/1443704262.db2.gz FILBUIPWIRVLFX-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CC(C)[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820026054 1443709270 /nfs/dbraw/zinc/70/92/70/1443709270.db2.gz GPOTVNPLVZBJRP-DLBZAZTESA-N 0 1 384.871 3.033 20 0 GGADMN CCOc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCOCC2)cc1 ZINC000821417565 1443720696 /nfs/dbraw/zinc/72/06/96/1443720696.db2.gz OVDBERVYXUNFFC-UHFFFAOYSA-N 0 1 399.520 3.165 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000826513442 1443731284 /nfs/dbraw/zinc/73/12/84/1443731284.db2.gz LKTWFHDKFPYMMZ-SFTDATJTSA-N 0 1 380.540 3.390 20 0 GGADMN COc1ccc(COCCC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826206692 1443733617 /nfs/dbraw/zinc/73/36/17/1443733617.db2.gz HHQMIGCSJWRFQJ-CQSZACIVSA-N 0 1 385.443 3.272 20 0 GGADMN Fc1cccc([C@@H]2CC[N@H+](Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)C2)c1 ZINC000737666307 1443746597 /nfs/dbraw/zinc/74/65/97/1443746597.db2.gz KDOJASGIXGNFAG-GOSISDBHSA-N 0 1 389.438 3.316 20 0 GGADMN Fc1cccc([C@@H]2CC[N@@H+](Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)C2)c1 ZINC000737666307 1443746599 /nfs/dbraw/zinc/74/65/99/1443746599.db2.gz KDOJASGIXGNFAG-GOSISDBHSA-N 0 1 389.438 3.316 20 0 GGADMN C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413718 1443760184 /nfs/dbraw/zinc/76/01/84/1443760184.db2.gz UVFJPTLJLUFQCA-INIZCTEOSA-N 0 1 394.498 3.364 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820703302 1443765054 /nfs/dbraw/zinc/76/50/54/1443765054.db2.gz DPFCMBNGSUVRGP-UONOGXRCSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820703302 1443765057 /nfs/dbraw/zinc/76/50/57/1443765057.db2.gz DPFCMBNGSUVRGP-UONOGXRCSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820703302 1443765060 /nfs/dbraw/zinc/76/50/60/1443765060.db2.gz DPFCMBNGSUVRGP-UONOGXRCSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ccc(-c4nn[n-]n4)o3)cc2)C1 ZINC000820650854 1443779152 /nfs/dbraw/zinc/77/91/52/1443779152.db2.gz XPHQFVIOTWLLAP-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccc(-c4nn[n-]n4)o3)cc2)C1 ZINC000820650854 1443779155 /nfs/dbraw/zinc/77/91/55/1443779155.db2.gz XPHQFVIOTWLLAP-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)C1 ZINC000820650854 1443779159 /nfs/dbraw/zinc/77/91/59/1443779159.db2.gz XPHQFVIOTWLLAP-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)C1 ZINC000820650854 1443779161 /nfs/dbraw/zinc/77/91/61/1443779161.db2.gz XPHQFVIOTWLLAP-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000736232535 1443784829 /nfs/dbraw/zinc/78/48/29/1443784829.db2.gz ZCKVNPHXFBBFKL-LAUBAEHRSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1C[C@H]([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232535 1443784832 /nfs/dbraw/zinc/78/48/32/1443784832.db2.gz ZCKVNPHXFBBFKL-LAUBAEHRSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232535 1443784835 /nfs/dbraw/zinc/78/48/35/1443784835.db2.gz ZCKVNPHXFBBFKL-LAUBAEHRSA-N 0 1 376.508 3.352 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2(C)C)c(-c2nnn[n-]2)c1C ZINC000826349580 1443785365 /nfs/dbraw/zinc/78/53/65/1443785365.db2.gz MWVUKIHOFIVPTE-UHFFFAOYSA-N 0 1 396.520 3.277 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2(C)C)c(-c2nnn[n-]2)c1C ZINC000826349580 1443785369 /nfs/dbraw/zinc/78/53/69/1443785369.db2.gz MWVUKIHOFIVPTE-UHFFFAOYSA-N 0 1 396.520 3.277 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1-c1nn[n-]n1 ZINC000821805482 1443792586 /nfs/dbraw/zinc/79/25/86/1443792586.db2.gz UTKOMFGQPKLFHL-ZDUSSCGKSA-N 0 1 392.463 3.075 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736981510 1443799165 /nfs/dbraw/zinc/79/91/65/1443799165.db2.gz LNRVBCHEUJHFDM-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736981510 1443799167 /nfs/dbraw/zinc/79/91/67/1443799167.db2.gz LNRVBCHEUJHFDM-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736981510 1443799169 /nfs/dbraw/zinc/79/91/69/1443799169.db2.gz LNRVBCHEUJHFDM-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)C2)c1 ZINC000826217042 1443800173 /nfs/dbraw/zinc/80/01/73/1443800173.db2.gz XDJOTGOSFBWUAH-CABCVRRESA-N 0 1 396.470 3.192 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000826169482 1443811621 /nfs/dbraw/zinc/81/16/21/1443811621.db2.gz UHXRWNCYZCTOFN-HNNXBMFYSA-N 0 1 383.477 3.174 20 0 GGADMN CCC[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H]1CCc2ccccc2C1 ZINC000825322315 1443817344 /nfs/dbraw/zinc/81/73/44/1443817344.db2.gz AGWNQECUBHUOPF-LJQANCHMSA-N 0 1 387.491 3.284 20 0 GGADMN CCC[N@H+](Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@@H]1CCc2ccccc2C1 ZINC000825322315 1443817347 /nfs/dbraw/zinc/81/73/47/1443817347.db2.gz AGWNQECUBHUOPF-LJQANCHMSA-N 0 1 387.491 3.284 20 0 GGADMN CCC[N@@H+](Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@@H]1CCc2ccccc2C1 ZINC000825322315 1443817349 /nfs/dbraw/zinc/81/73/49/1443817349.db2.gz AGWNQECUBHUOPF-LJQANCHMSA-N 0 1 387.491 3.284 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000824974774 1443819913 /nfs/dbraw/zinc/81/99/13/1443819913.db2.gz FRNORSSIYAXJFE-VXGBXAGGSA-N 0 1 388.541 3.112 20 0 GGADMN c1ccc([C@@H]2COC3(C2)CC[NH+](Cc2ccc(-c4nn[n-]n4)cc2)CC3)cc1 ZINC001139092928 1443823863 /nfs/dbraw/zinc/82/38/63/1443823863.db2.gz XGMYNABDSISTQN-FQEVSTJZSA-N 0 1 375.476 3.405 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000826373309 1443825940 /nfs/dbraw/zinc/82/59/40/1443825940.db2.gz HOYQZROPZKSSRR-ZDUSSCGKSA-N 0 1 395.364 3.058 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)CN(CCCOc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000737373747 1443834005 /nfs/dbraw/zinc/83/40/05/1443834005.db2.gz VABJRARDHWHCGE-UHFFFAOYSA-N 0 1 388.475 3.484 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000737373747 1443834008 /nfs/dbraw/zinc/83/40/08/1443834008.db2.gz VABJRARDHWHCGE-UHFFFAOYSA-N 0 1 388.475 3.484 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000737373747 1443834010 /nfs/dbraw/zinc/83/40/10/1443834010.db2.gz VABJRARDHWHCGE-UHFFFAOYSA-N 0 1 388.475 3.484 20 0 GGADMN COc1ccc([C@@H](C)C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826187845 1443835536 /nfs/dbraw/zinc/83/55/36/1443835536.db2.gz GOBZYDALABFLIP-YWZLYKJASA-N 0 1 379.464 3.052 20 0 GGADMN C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820412215 1443843071 /nfs/dbraw/zinc/84/30/71/1443843071.db2.gz KWMPOPPFGVZREZ-NVPAJSRCSA-N 0 1 386.500 3.353 20 0 GGADMN CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000820987653 1443888730 /nfs/dbraw/zinc/88/87/30/1443888730.db2.gz ALZPMPXQWXQGPC-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618532 1443897250 /nfs/dbraw/zinc/89/72/50/1443897250.db2.gz OTZXWQBLRAKRHG-CYBMUJFWSA-N 0 1 382.493 3.491 20 0 GGADMN Cc1ccc(C[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737341630 1443898462 /nfs/dbraw/zinc/89/84/62/1443898462.db2.gz NPUFXMSYGPTUFT-UHFFFAOYSA-N 0 1 382.493 3.148 20 0 GGADMN Cc1ccc(C[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C2CC2)cc1C ZINC000737341630 1443898467 /nfs/dbraw/zinc/89/84/67/1443898467.db2.gz NPUFXMSYGPTUFT-UHFFFAOYSA-N 0 1 382.493 3.148 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825126956 1443899656 /nfs/dbraw/zinc/89/96/56/1443899656.db2.gz KLACQHBJDVZPNF-QGZVFWFLSA-N 0 1 379.464 3.106 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825126956 1443899659 /nfs/dbraw/zinc/89/96/59/1443899659.db2.gz KLACQHBJDVZPNF-QGZVFWFLSA-N 0 1 379.464 3.106 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825126956 1443899662 /nfs/dbraw/zinc/89/96/62/1443899662.db2.gz KLACQHBJDVZPNF-QGZVFWFLSA-N 0 1 379.464 3.106 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000735874467 1443901094 /nfs/dbraw/zinc/90/10/94/1443901094.db2.gz IQKUNFHLWBSSQD-IAGOWNOFSA-N 0 1 399.543 3.050 20 0 GGADMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820015149 1443916764 /nfs/dbraw/zinc/91/67/64/1443916764.db2.gz ATSJGRIKSOSYKZ-IBGZPJMESA-N 0 1 392.479 3.035 20 0 GGADMN c1cc([C@@H]2CCC[N@@H+]2CCCOc2ccc(-c3nnn[n-]3)cc2)cc2c1OCO2 ZINC000738413368 1443921428 /nfs/dbraw/zinc/92/14/28/1443921428.db2.gz UKASWXSKVUFFDW-SFHVURJKSA-N 0 1 393.447 3.201 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000820420569 1443922156 /nfs/dbraw/zinc/92/21/56/1443922156.db2.gz TVQXZEYJJMBBCQ-HNNXBMFYSA-N 0 1 390.491 3.425 20 0 GGADMN Cc1nn2c(C[NH2+]C3(c4cccc(-c5nnn[n-]5)c4)CC3)c(C(C)C)nc2s1 ZINC000826335126 1443924330 /nfs/dbraw/zinc/92/43/30/1443924330.db2.gz ZOPKUOOJLGQAQK-UHFFFAOYSA-N 0 1 394.508 3.182 20 0 GGADMN FC(F)Oc1cccc([C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826370491 1443929776 /nfs/dbraw/zinc/92/97/76/1443929776.db2.gz VMBXQWSAGNOTAO-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1cccc([C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826370491 1443929778 /nfs/dbraw/zinc/92/97/78/1443929778.db2.gz VMBXQWSAGNOTAO-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN COc1ccc(C[NH+]2CCC(CNc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821794161 1443930234 /nfs/dbraw/zinc/93/02/34/1443930234.db2.gz AYYWOOYLQYMODJ-UHFFFAOYSA-N 0 1 396.470 3.339 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737845235 1443932384 /nfs/dbraw/zinc/93/23/84/1443932384.db2.gz YHMWTLLNQRRGAC-ZDUSSCGKSA-N 0 1 398.492 3.176 20 0 GGADMN C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824607319 1443932419 /nfs/dbraw/zinc/93/24/19/1443932419.db2.gz XEIXXPBQTVSIFG-GFCCVEGCSA-N 0 1 385.855 3.185 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1Cl ZINC000824544852 1443933658 /nfs/dbraw/zinc/93/36/58/1443933658.db2.gz ADEYPWVNNUMHOS-ACJLOTCBSA-N 0 1 396.882 3.366 20 0 GGADMN COc1ccc2cc(C[NH2+]CCOc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000821854187 1443934616 /nfs/dbraw/zinc/93/46/16/1443934616.db2.gz HPSYNTUZHQOZLH-UHFFFAOYSA-N 0 1 375.432 3.197 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532446 1443940530 /nfs/dbraw/zinc/94/05/30/1443940530.db2.gz UIYVKAMNLOWUAJ-STQMWFEESA-N 0 1 396.426 3.374 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668229 1443942788 /nfs/dbraw/zinc/94/27/88/1443942788.db2.gz CPKHVQXDSRTGRK-DLBZAZTESA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668229 1443942789 /nfs/dbraw/zinc/94/27/89/1443942789.db2.gz CPKHVQXDSRTGRK-DLBZAZTESA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668229 1443942792 /nfs/dbraw/zinc/94/27/92/1443942792.db2.gz CPKHVQXDSRTGRK-DLBZAZTESA-N 0 1 397.552 3.467 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736349358 1443948244 /nfs/dbraw/zinc/94/82/44/1443948244.db2.gz GCNLNGUDWAGIPB-QGZVFWFLSA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736349358 1443948247 /nfs/dbraw/zinc/94/82/47/1443948247.db2.gz GCNLNGUDWAGIPB-QGZVFWFLSA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736349358 1443948250 /nfs/dbraw/zinc/94/82/50/1443948250.db2.gz GCNLNGUDWAGIPB-QGZVFWFLSA-N 0 1 378.480 3.148 20 0 GGADMN C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824537400 1443952103 /nfs/dbraw/zinc/95/21/03/1443952103.db2.gz DUYMDEZNEFTJLW-LIRRHRJNSA-N 0 1 377.427 3.294 20 0 GGADMN COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCCCC2)cc1 ZINC000821778144 1443956156 /nfs/dbraw/zinc/95/61/56/1443956156.db2.gz VLQRRRDLGNSUBS-GOSISDBHSA-N 0 1 398.536 3.254 20 0 GGADMN CCn1c(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)nc2c1cccc2F ZINC000825787730 1443962685 /nfs/dbraw/zinc/96/26/85/1443962685.db2.gz JYRSXFYIUNIMLH-UHFFFAOYSA-N 0 1 377.427 3.154 20 0 GGADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826215072 1443969364 /nfs/dbraw/zinc/96/93/64/1443969364.db2.gz GAJUYWSKWYWRLW-IFXJQAMLSA-N 0 1 379.464 3.467 20 0 GGADMN Brc1cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cs1 ZINC000823827274 1443971677 /nfs/dbraw/zinc/97/16/77/1443971677.db2.gz YOSPQHUUGAWDPP-UHFFFAOYSA-N 0 1 380.271 3.448 20 0 GGADMN Brc1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)cs1 ZINC000823827274 1443971679 /nfs/dbraw/zinc/97/16/79/1443971679.db2.gz YOSPQHUUGAWDPP-UHFFFAOYSA-N 0 1 380.271 3.448 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826232136 1443971713 /nfs/dbraw/zinc/97/17/13/1443971713.db2.gz RDHGGGJHPCAZKE-MRXNPFEDSA-N 0 1 385.475 3.126 20 0 GGADMN CC(C)[C@H](CC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC000820020113 1443977448 /nfs/dbraw/zinc/97/74/48/1443977448.db2.gz BNTMFOHOHXVTHK-KRWDZBQOSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@H](CC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC000820020113 1443977450 /nfs/dbraw/zinc/97/74/50/1443977450.db2.gz BNTMFOHOHXVTHK-KRWDZBQOSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@H](CC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC000820020113 1443977451 /nfs/dbraw/zinc/97/74/51/1443977451.db2.gz BNTMFOHOHXVTHK-KRWDZBQOSA-N 0 1 388.516 3.238 20 0 GGADMN COc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)cc1-c1nn[n-]n1 ZINC000821808188 1443988598 /nfs/dbraw/zinc/98/85/98/1443988598.db2.gz BIECADSIRUYDQX-HXUWFJFHSA-N 0 1 392.507 3.110 20 0 GGADMN CCS[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000821456623 1443989818 /nfs/dbraw/zinc/98/98/18/1443989818.db2.gz RFOQDLALRWOQKL-OAHLLOKOSA-N 0 1 385.497 3.024 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000826514019 1443989995 /nfs/dbraw/zinc/98/99/95/1443989995.db2.gz DIDGXWZICGVNPC-SFHVURJKSA-N 0 1 392.511 3.412 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000826514019 1443989997 /nfs/dbraw/zinc/98/99/97/1443989997.db2.gz DIDGXWZICGVNPC-SFHVURJKSA-N 0 1 392.511 3.412 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000826514019 1443989998 /nfs/dbraw/zinc/98/99/98/1443989998.db2.gz DIDGXWZICGVNPC-SFHVURJKSA-N 0 1 392.511 3.412 20 0 GGADMN C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824579241 1443993707 /nfs/dbraw/zinc/99/37/07/1443993707.db2.gz YRPDUTITNNIOQK-OAHLLOKOSA-N 0 1 381.455 3.405 20 0 GGADMN Fc1ccc(Br)cc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822761209 1443993864 /nfs/dbraw/zinc/99/38/64/1443993864.db2.gz CCARDUSXLOGIKK-UHFFFAOYSA-N 0 1 394.223 3.240 20 0 GGADMN COc1cccc2cc(C[N@@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)oc21 ZINC000826217770 1443994599 /nfs/dbraw/zinc/99/45/99/1443994599.db2.gz BMWTUWIMBDBJNP-IBGZPJMESA-N 0 1 391.431 3.195 20 0 GGADMN COc1cccc2cc(C[N@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)oc21 ZINC000826217770 1443994602 /nfs/dbraw/zinc/99/46/02/1443994602.db2.gz BMWTUWIMBDBJNP-IBGZPJMESA-N 0 1 391.431 3.195 20 0 GGADMN CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)[C@@H]2CCO[C@H]21 ZINC000824789857 1444002883 /nfs/dbraw/zinc/00/28/83/1444002883.db2.gz JSWPAZZQVLEAIJ-XUVXKRRUSA-N 0 1 375.476 3.437 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826307309 1444007653 /nfs/dbraw/zinc/00/76/53/1444007653.db2.gz CHKFJSWVPFIDGL-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826307309 1444007655 /nfs/dbraw/zinc/00/76/55/1444007655.db2.gz CHKFJSWVPFIDGL-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826307309 1444007658 /nfs/dbraw/zinc/00/76/58/1444007658.db2.gz CHKFJSWVPFIDGL-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cccc(-c3nn[n-]n3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885629 1444008486 /nfs/dbraw/zinc/00/84/86/1444008486.db2.gz TXCYYWIWJCBAOR-VQIMIIECSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000824885629 1444008491 /nfs/dbraw/zinc/00/84/91/1444008491.db2.gz TXCYYWIWJCBAOR-VQIMIIECSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885629 1444008492 /nfs/dbraw/zinc/00/84/92/1444008492.db2.gz TXCYYWIWJCBAOR-VQIMIIECSA-N 0 1 394.498 3.491 20 0 GGADMN CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825308247 1444020306 /nfs/dbraw/zinc/02/03/06/1444020306.db2.gz YJRLSVZKUJXNAH-UHFFFAOYSA-N 0 1 390.900 3.432 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825308247 1444020311 /nfs/dbraw/zinc/02/03/11/1444020311.db2.gz YJRLSVZKUJXNAH-UHFFFAOYSA-N 0 1 390.900 3.432 20 0 GGADMN Fc1ccc(Br)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737640361 1444022546 /nfs/dbraw/zinc/02/25/46/1444022546.db2.gz VMFMTUCHHGVVIP-UHFFFAOYSA-N 0 1 380.196 3.197 20 0 GGADMN c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NC1CC[NH+](CC2CCCCC2)CC1 ZINC000823796503 1446087861 /nfs/dbraw/zinc/08/78/61/1446087861.db2.gz CRFIQSKKLUWRIF-UHFFFAOYSA-N 0 1 391.523 3.293 20 0 GGADMN COc1ccc([C@H](CNc2nccc(C)c2-c2nn[n-]n2)[NH+]2CCCCC2)cc1 ZINC000826189569 1446090579 /nfs/dbraw/zinc/09/05/79/1446090579.db2.gz YOLQFXVNHXYALM-SFHVURJKSA-N 0 1 393.495 3.218 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC[N@H+]1C ZINC000736229809 1446092496 /nfs/dbraw/zinc/09/24/96/1446092496.db2.gz SDOKXQPVYTYMOQ-HZPDHXFCSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000736229809 1446092499 /nfs/dbraw/zinc/09/24/99/1446092499.db2.gz SDOKXQPVYTYMOQ-HZPDHXFCSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@H+]1C ZINC000736229809 1446092502 /nfs/dbraw/zinc/09/25/02/1446092502.db2.gz SDOKXQPVYTYMOQ-HZPDHXFCSA-N 0 1 390.491 3.088 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821827850 1446098541 /nfs/dbraw/zinc/09/85/41/1446098541.db2.gz KVFOPPPQNRYRRV-GUYCJALGSA-N 0 1 398.898 3.458 20 0 GGADMN COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccnc(-c5nnn[n-]5)c4)CC3)c2c1 ZINC000826212119 1446127677 /nfs/dbraw/zinc/12/76/77/1446127677.db2.gz HGYUSVLSTMRRRL-UHFFFAOYSA-N 0 1 387.447 3.041 20 0 GGADMN COc1ccc2c(c1)[nH+]ccc2N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826212331 1446132923 /nfs/dbraw/zinc/13/29/23/1446132923.db2.gz NINAOEHOKPGUNZ-FQEVSTJZSA-N 0 1 388.431 3.001 20 0 GGADMN O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826504654 1446140741 /nfs/dbraw/zinc/14/07/41/1446140741.db2.gz APOHGIWAOHPVDE-IBGZPJMESA-N 0 1 385.418 3.091 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824413305 1446149582 /nfs/dbraw/zinc/14/95/82/1446149582.db2.gz KMLJTYJZGYSTKB-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824413305 1446149583 /nfs/dbraw/zinc/14/95/83/1446149583.db2.gz KMLJTYJZGYSTKB-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824413305 1446149585 /nfs/dbraw/zinc/14/95/85/1446149585.db2.gz KMLJTYJZGYSTKB-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN CCn1cc(C2CCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)CC2)cn1 ZINC000821565209 1446156442 /nfs/dbraw/zinc/15/64/42/1446156442.db2.gz IURDVPGSEBBGHP-UHFFFAOYSA-N 0 1 388.479 3.324 20 0 GGADMN Cc1cc[nH+]c(N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311024 1446163869 /nfs/dbraw/zinc/16/38/69/1446163869.db2.gz QMNMEKCNLTZOQM-MSOLQXFVSA-N 0 1 378.480 3.443 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000826514018 1446166789 /nfs/dbraw/zinc/16/67/89/1446166789.db2.gz DIDGXWZICGVNPC-GOSISDBHSA-N 0 1 392.511 3.412 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000826514018 1446166792 /nfs/dbraw/zinc/16/67/92/1446166792.db2.gz DIDGXWZICGVNPC-GOSISDBHSA-N 0 1 392.511 3.412 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000826514018 1446166795 /nfs/dbraw/zinc/16/67/95/1446166795.db2.gz DIDGXWZICGVNPC-GOSISDBHSA-N 0 1 392.511 3.412 20 0 GGADMN c1ccc(SC[C@H]2CC[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823792243 1446169102 /nfs/dbraw/zinc/16/91/02/1446169102.db2.gz QKJPOASKOYIMQR-INIZCTEOSA-N 0 1 381.505 3.360 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000823767686 1446169144 /nfs/dbraw/zinc/16/91/44/1446169144.db2.gz VQSDCOBLKGCUSB-HNNXBMFYSA-N 0 1 389.488 3.032 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826332351 1446174355 /nfs/dbraw/zinc/17/43/55/1446174355.db2.gz RARGLLRVWBMLIX-FUHWJXTLSA-N 0 1 395.536 3.221 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826332351 1446174359 /nfs/dbraw/zinc/17/43/59/1446174359.db2.gz RARGLLRVWBMLIX-FUHWJXTLSA-N 0 1 395.536 3.221 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297616 1446178097 /nfs/dbraw/zinc/17/80/97/1446178097.db2.gz XSKODUIOVQMWNL-IAGOWNOFSA-N 0 1 385.422 3.176 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1-c1nn[n-]n1 ZINC000826352368 1446180440 /nfs/dbraw/zinc/18/04/40/1446180440.db2.gz YJBOTCJGIUHUQH-BFYDXBDKSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1-c1nnn[n-]1 ZINC000826352368 1446180442 /nfs/dbraw/zinc/18/04/42/1446180442.db2.gz YJBOTCJGIUHUQH-BFYDXBDKSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1-c1nnn[n-]1 ZINC000826352368 1446180444 /nfs/dbraw/zinc/18/04/44/1446180444.db2.gz YJBOTCJGIUHUQH-BFYDXBDKSA-N 0 1 395.898 3.238 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000826276713 1446190876 /nfs/dbraw/zinc/19/08/76/1446190876.db2.gz STTKTKMDFWPDIG-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000826276713 1446190879 /nfs/dbraw/zinc/19/08/79/1446190879.db2.gz STTKTKMDFWPDIG-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000826276713 1446190883 /nfs/dbraw/zinc/19/08/83/1446190883.db2.gz STTKTKMDFWPDIG-HNNXBMFYSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CC[C@H]1CCCC[N@H+]1C ZINC000822203499 1446202140 /nfs/dbraw/zinc/20/21/40/1446202140.db2.gz WZWCIOBQMMTQLW-OAHLLOKOSA-N 0 1 383.475 3.173 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000822203499 1446202144 /nfs/dbraw/zinc/20/21/44/1446202144.db2.gz WZWCIOBQMMTQLW-OAHLLOKOSA-N 0 1 383.475 3.173 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC[C@H]1CCCC[N@H+]1C ZINC000822203499 1446202147 /nfs/dbraw/zinc/20/21/47/1446202147.db2.gz WZWCIOBQMMTQLW-OAHLLOKOSA-N 0 1 383.475 3.173 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000825855628 1446206124 /nfs/dbraw/zinc/20/61/24/1446206124.db2.gz ISNNEYYEPSQDJS-UHFFFAOYSA-N 0 1 377.496 3.009 20 0 GGADMN Cc1cccc(N2CCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)CC2)c1 ZINC000737397948 1446208701 /nfs/dbraw/zinc/20/87/01/1446208701.db2.gz CJQRIQQXDLVEBB-UHFFFAOYSA-N 0 1 385.475 3.358 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000822741007 1446212695 /nfs/dbraw/zinc/21/26/95/1446212695.db2.gz PXMCYMZQNKXPTJ-AWEZNQCLSA-N 0 1 386.500 3.069 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000822741007 1446212698 /nfs/dbraw/zinc/21/26/98/1446212698.db2.gz PXMCYMZQNKXPTJ-AWEZNQCLSA-N 0 1 386.500 3.069 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000822741007 1446212701 /nfs/dbraw/zinc/21/27/01/1446212701.db2.gz PXMCYMZQNKXPTJ-AWEZNQCLSA-N 0 1 386.500 3.069 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820562766 1446227365 /nfs/dbraw/zinc/22/73/65/1446227365.db2.gz ISTBISBLPCHKFF-HJFSHJIFSA-N 0 1 394.504 3.050 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562766 1446227368 /nfs/dbraw/zinc/22/73/68/1446227368.db2.gz ISTBISBLPCHKFF-HJFSHJIFSA-N 0 1 394.504 3.050 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562766 1446227372 /nfs/dbraw/zinc/22/73/72/1446227372.db2.gz ISTBISBLPCHKFF-HJFSHJIFSA-N 0 1 394.504 3.050 20 0 GGADMN Cc1cc(C)n2c(C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)cnc2n1 ZINC000826265580 1446233127 /nfs/dbraw/zinc/23/31/27/1446233127.db2.gz FVXWZERKQXSVMK-UHFFFAOYSA-N 0 1 390.495 3.184 20 0 GGADMN Cc1ccc([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826283536 1446270795 /nfs/dbraw/zinc/27/07/95/1446270795.db2.gz TWZBSBMHMHSGGT-INIZCTEOSA-N 0 1 387.491 3.469 20 0 GGADMN Fc1cc2cccnc2c(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826372368 1446270859 /nfs/dbraw/zinc/27/08/59/1446270859.db2.gz SYDBUBIKJLNZFV-IBGZPJMESA-N 0 1 390.422 3.128 20 0 GGADMN Fc1cc2cccnc2c(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826372368 1446270862 /nfs/dbraw/zinc/27/08/62/1446270862.db2.gz SYDBUBIKJLNZFV-IBGZPJMESA-N 0 1 390.422 3.128 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826332225 1446297079 /nfs/dbraw/zinc/29/70/79/1446297079.db2.gz NGISERITHLRAKD-UHFFFAOYSA-N 0 1 395.417 3.271 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826332225 1446297085 /nfs/dbraw/zinc/29/70/85/1446297085.db2.gz NGISERITHLRAKD-UHFFFAOYSA-N 0 1 395.417 3.271 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825043947 1446298170 /nfs/dbraw/zinc/29/81/70/1446298170.db2.gz KXAWVHWUVAZGQB-SFHVURJKSA-N 0 1 390.850 3.392 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819940189 1446314961 /nfs/dbraw/zinc/31/49/61/1446314961.db2.gz RTIPFOLKTPOSKT-IAGOWNOFSA-N 0 1 386.500 3.040 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000738383302 1446321404 /nfs/dbraw/zinc/32/14/04/1446321404.db2.gz ANUFFJMHPJKRKE-TZIWHRDSSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000738383302 1446321406 /nfs/dbraw/zinc/32/14/06/1446321406.db2.gz ANUFFJMHPJKRKE-TZIWHRDSSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000738383302 1446321410 /nfs/dbraw/zinc/32/14/10/1446321410.db2.gz ANUFFJMHPJKRKE-TZIWHRDSSA-N 0 1 388.475 3.208 20 0 GGADMN c1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000738423739 1446324694 /nfs/dbraw/zinc/32/46/94/1446324694.db2.gz TXEMMMRNSSDUIE-LJQANCHMSA-N 0 1 385.475 3.395 20 0 GGADMN c1cnn(C[C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000738423739 1446324696 /nfs/dbraw/zinc/32/46/96/1446324696.db2.gz TXEMMMRNSSDUIE-LJQANCHMSA-N 0 1 385.475 3.395 20 0 GGADMN c1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000738423739 1446324697 /nfs/dbraw/zinc/32/46/97/1446324697.db2.gz TXEMMMRNSSDUIE-LJQANCHMSA-N 0 1 385.475 3.395 20 0 GGADMN CC(C)c1ncc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000824364740 1446330773 /nfs/dbraw/zinc/33/07/73/1446330773.db2.gz SJLJOIATHNVEHG-UHFFFAOYSA-N 0 1 384.509 3.490 20 0 GGADMN CC(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192780 1446345053 /nfs/dbraw/zinc/34/50/53/1446345053.db2.gz ZFGQWGAWGPXRHS-OAHLLOKOSA-N 0 1 399.520 3.115 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222370 1446347989 /nfs/dbraw/zinc/34/79/89/1446347989.db2.gz QDVIOUULCCNUPF-ZDUSSCGKSA-N 0 1 383.427 3.376 20 0 GGADMN CC(C)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1C ZINC000824216182 1446350059 /nfs/dbraw/zinc/35/00/59/1446350059.db2.gz OTSRPWREXWFNIC-SNRMKQJTSA-N 0 1 383.544 3.281 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000737033403 1446358140 /nfs/dbraw/zinc/35/81/40/1446358140.db2.gz VGPUXYYIJSDYJQ-UHFFFAOYSA-N 0 1 387.871 3.082 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000737033403 1446358145 /nfs/dbraw/zinc/35/81/45/1446358145.db2.gz VGPUXYYIJSDYJQ-UHFFFAOYSA-N 0 1 387.871 3.082 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000737033403 1446358149 /nfs/dbraw/zinc/35/81/49/1446358149.db2.gz VGPUXYYIJSDYJQ-UHFFFAOYSA-N 0 1 387.871 3.082 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccccc2NCc2cccc(-c3nnn[n-]3)c2F)C[C@@H](C)O1 ZINC000824994546 1446370679 /nfs/dbraw/zinc/37/06/79/1446370679.db2.gz VFQXIJSFIDSKKV-HUUCEWRRSA-N 0 1 396.470 3.227 20 0 GGADMN COc1ccc([C@@H]2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826190979 1446379187 /nfs/dbraw/zinc/37/91/87/1446379187.db2.gz SMILZLABNWKPFK-MRXNPFEDSA-N 0 1 376.464 3.143 20 0 GGADMN CC(C)[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000820026056 1446384053 /nfs/dbraw/zinc/38/40/53/1446384053.db2.gz GPOTVNPLVZBJRP-IRXDYDNUSA-N 0 1 384.871 3.033 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000822743873 1446401734 /nfs/dbraw/zinc/40/17/34/1446401734.db2.gz HNXQCHBSZMZSLX-UHFFFAOYSA-N 0 1 380.471 3.282 20 0 GGADMN C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824925573 1446419573 /nfs/dbraw/zinc/41/95/73/1446419573.db2.gz FIWDGKYWTNUTJO-JKSUJKDBSA-N 0 1 382.512 3.344 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822486190 1446448136 /nfs/dbraw/zinc/44/81/36/1446448136.db2.gz APWLDZRIPVLCPC-UHFFFAOYSA-N 0 1 397.845 3.443 20 0 GGADMN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820301389 1446453988 /nfs/dbraw/zinc/45/39/88/1446453988.db2.gz XBCHSYZLXPIIBQ-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccccc2OC(C)C)c(-c2nnn[n-]2)c1C ZINC000826342035 1446455804 /nfs/dbraw/zinc/45/58/04/1446455804.db2.gz WFZPMMFGOBKXGF-ZDUSSCGKSA-N 0 1 398.467 3.153 20 0 GGADMN CC(C)[NH+](CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000820116331 1446456942 /nfs/dbraw/zinc/45/69/42/1446456942.db2.gz HQBHDONPGLWBQA-UHFFFAOYSA-N 0 1 379.896 3.151 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736236349 1446457321 /nfs/dbraw/zinc/45/73/21/1446457321.db2.gz ROTOFLAAGWZBCA-GOEBONIOSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236349 1446457325 /nfs/dbraw/zinc/45/73/25/1446457325.db2.gz ROTOFLAAGWZBCA-GOEBONIOSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236349 1446457328 /nfs/dbraw/zinc/45/73/28/1446457328.db2.gz ROTOFLAAGWZBCA-GOEBONIOSA-N 0 1 394.454 3.212 20 0 GGADMN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(F)cc1 ZINC000822020596 1446476871 /nfs/dbraw/zinc/47/68/71/1446476871.db2.gz FKCGCOBYMZNMJX-STQMWFEESA-N 0 1 392.442 3.307 20 0 GGADMN C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000736127581 1446489415 /nfs/dbraw/zinc/48/94/15/1446489415.db2.gz RSWBTFIOBIXQIL-YCRPNKLZSA-N 0 1 398.470 3.411 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824505743 1446494002 /nfs/dbraw/zinc/49/40/02/1446494002.db2.gz HWGHVUSXBZHXNF-LBPRGKRZSA-N 0 1 392.529 3.053 20 0 GGADMN CC[N@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821214799 1446497588 /nfs/dbraw/zinc/49/75/88/1446497588.db2.gz LMNMSXNYRPTVSA-UHFFFAOYSA-N 0 1 384.509 3.048 20 0 GGADMN CC[N@@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821214799 1446497592 /nfs/dbraw/zinc/49/75/92/1446497592.db2.gz LMNMSXNYRPTVSA-UHFFFAOYSA-N 0 1 384.509 3.048 20 0 GGADMN c1sc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826521809 1446498753 /nfs/dbraw/zinc/49/87/53/1446498753.db2.gz ZFOZMZNKNYZBAM-XLIONFOSSA-N 0 1 394.548 3.415 20 0 GGADMN c1sc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826521809 1446498757 /nfs/dbraw/zinc/49/87/57/1446498757.db2.gz ZFOZMZNKNYZBAM-XLIONFOSSA-N 0 1 394.548 3.415 20 0 GGADMN c1sc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826521809 1446498760 /nfs/dbraw/zinc/49/87/60/1446498760.db2.gz ZFOZMZNKNYZBAM-XLIONFOSSA-N 0 1 394.548 3.415 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824579157 1446503309 /nfs/dbraw/zinc/50/33/09/1446503309.db2.gz YDIQOTVJWHBDER-KBPBESRZSA-N 0 1 384.434 3.322 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820642989 1446507882 /nfs/dbraw/zinc/50/78/82/1446507882.db2.gz OHDUODPJKKPUBE-FUHWJXTLSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642989 1446507885 /nfs/dbraw/zinc/50/78/85/1446507885.db2.gz OHDUODPJKKPUBE-FUHWJXTLSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642989 1446507890 /nfs/dbraw/zinc/50/78/90/1446507890.db2.gz OHDUODPJKKPUBE-FUHWJXTLSA-N 0 1 390.491 3.148 20 0 GGADMN COc1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc23)c2ccccc2n1 ZINC000821717527 1446514078 /nfs/dbraw/zinc/51/40/78/1446514078.db2.gz PXGBGTMMIXEKOE-UHFFFAOYSA-N 0 1 397.442 3.314 20 0 GGADMN COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826217153 1446523981 /nfs/dbraw/zinc/52/39/81/1446523981.db2.gz ZUPRGGRZJVIPIR-GJZGRUSLSA-N 0 1 396.470 3.192 20 0 GGADMN Cc1cc[nH+]c(N(C)Cc2cc(Br)ccc2F)c1-c1nnn[n-]1 ZINC000826309326 1446532476 /nfs/dbraw/zinc/53/24/76/1446532476.db2.gz LKLIUIXYQLHPSU-UHFFFAOYSA-N 0 1 377.221 3.108 20 0 GGADMN c1ccc(CC2CC[NH+](CCCCNc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000738426734 1446533460 /nfs/dbraw/zinc/53/34/60/1446533460.db2.gz GNBHFKWDTIXSPV-UHFFFAOYSA-N 0 1 391.523 3.409 20 0 GGADMN Fc1ccc(C[NH+]2CCC(Nc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1F ZINC000737647439 1446539274 /nfs/dbraw/zinc/53/92/74/1446539274.db2.gz DFCGXXBJKDVOEV-UHFFFAOYSA-N 0 1 388.397 3.361 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@H+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000735933430 1446549516 /nfs/dbraw/zinc/54/95/16/1446549516.db2.gz WKZBUFBJEHMKSX-QAPCUYQASA-N 0 1 395.511 3.245 20 0 GGADMN Cc1noc(C2CCC([NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)CC2)n1 ZINC000826339657 1446556400 /nfs/dbraw/zinc/55/64/00/1446556400.db2.gz NQDMDSYVZHVWRU-AUCFXJAVSA-N 0 1 379.468 3.252 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736637490 1446558228 /nfs/dbraw/zinc/55/82/28/1446558228.db2.gz QFRPDHCZDBEPHC-INIZCTEOSA-N 0 1 398.492 3.103 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736637490 1446558230 /nfs/dbraw/zinc/55/82/30/1446558230.db2.gz QFRPDHCZDBEPHC-INIZCTEOSA-N 0 1 398.492 3.103 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1C ZINC000736565903 1446568239 /nfs/dbraw/zinc/56/82/39/1446568239.db2.gz UBESLPASRKJTKO-WCQYABFASA-N 0 1 393.948 3.022 20 0 GGADMN CC[N@@H+]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000736565903 1446568243 /nfs/dbraw/zinc/56/82/43/1446568243.db2.gz UBESLPASRKJTKO-WCQYABFASA-N 0 1 393.948 3.022 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000736565903 1446568247 /nfs/dbraw/zinc/56/82/47/1446568247.db2.gz UBESLPASRKJTKO-WCQYABFASA-N 0 1 393.948 3.022 20 0 GGADMN Clc1ccccc1CC[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826353243 1446571802 /nfs/dbraw/zinc/57/18/02/1446571802.db2.gz HIUXZPXAWNJOHD-UHFFFAOYSA-N 0 1 396.926 3.317 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000738384369 1446576693 /nfs/dbraw/zinc/57/66/93/1446576693.db2.gz DNQKFKVUNOXOBJ-NHCUHLMSSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384369 1446576699 /nfs/dbraw/zinc/57/66/99/1446576699.db2.gz DNQKFKVUNOXOBJ-NHCUHLMSSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384369 1446576704 /nfs/dbraw/zinc/57/67/04/1446576704.db2.gz DNQKFKVUNOXOBJ-NHCUHLMSSA-N 0 1 393.491 3.224 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1-c1nn[n-]n1 ZINC000826352370 1446591324 /nfs/dbraw/zinc/59/13/24/1446591324.db2.gz YJBOTCJGIUHUQH-YQQAZPJKSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1-c1nnn[n-]1 ZINC000826352370 1446591327 /nfs/dbraw/zinc/59/13/27/1446591327.db2.gz YJBOTCJGIUHUQH-YQQAZPJKSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1-c1nnn[n-]1 ZINC000826352370 1446591330 /nfs/dbraw/zinc/59/13/30/1446591330.db2.gz YJBOTCJGIUHUQH-YQQAZPJKSA-N 0 1 395.898 3.238 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000824908592 1446593332 /nfs/dbraw/zinc/59/33/32/1446593332.db2.gz QBFWGQRUCNGELA-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000824908592 1446593335 /nfs/dbraw/zinc/59/33/35/1446593335.db2.gz QBFWGQRUCNGELA-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000824908592 1446593339 /nfs/dbraw/zinc/59/33/39/1446593339.db2.gz QBFWGQRUCNGELA-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000826513736 1446599932 /nfs/dbraw/zinc/59/99/32/1446599932.db2.gz URYZFXACTBEEDY-HFSMHLIXSA-N 0 1 380.540 3.390 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000826186046 1446604324 /nfs/dbraw/zinc/60/43/24/1446604324.db2.gz BPSHDFQSFLCNPZ-UHFFFAOYSA-N 0 1 396.470 3.133 20 0 GGADMN C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824606146 1446606628 /nfs/dbraw/zinc/60/66/28/1446606628.db2.gz NUTGOXFZMGWGDP-ZDUSSCGKSA-N 0 1 395.417 3.224 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccsc1 ZINC000825406356 1446609267 /nfs/dbraw/zinc/60/92/67/1446609267.db2.gz LRRORKCPXXELDM-KRWDZBQOSA-N 0 1 384.509 3.050 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1-c1nnn[n-]1 ZINC000826332109 1446636181 /nfs/dbraw/zinc/63/61/81/1446636181.db2.gz JYZOZZGHNFJQJD-GOSISDBHSA-N 0 1 386.463 3.093 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1-c1nnn[n-]1 ZINC000826332109 1446636186 /nfs/dbraw/zinc/63/61/86/1446636186.db2.gz JYZOZZGHNFJQJD-GOSISDBHSA-N 0 1 386.463 3.093 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824573701 1446651323 /nfs/dbraw/zinc/65/13/23/1446651323.db2.gz ZTXAHJSMVNXMSZ-BZNIZROVSA-N 0 1 377.370 3.270 20 0 GGADMN CC[C@@H](C)[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825068396 1446652040 /nfs/dbraw/zinc/65/20/40/1446652040.db2.gz RCJVXZPGSNNBLC-CQSZACIVSA-N 0 1 389.463 3.316 20 0 GGADMN CC[C@@H](C)[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825068396 1446652043 /nfs/dbraw/zinc/65/20/43/1446652043.db2.gz RCJVXZPGSNNBLC-CQSZACIVSA-N 0 1 389.463 3.316 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820431860 1446652338 /nfs/dbraw/zinc/65/23/38/1446652338.db2.gz IZNCLCXPMHIEPI-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN CCCC[NH+]1CCC(Nc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000825285314 1446659196 /nfs/dbraw/zinc/65/91/96/1446659196.db2.gz PWLIMPXDIYJAAD-UHFFFAOYSA-N 0 1 379.306 3.306 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820723113 1446697431 /nfs/dbraw/zinc/69/74/31/1446697431.db2.gz WIEDCMQCOZXXOZ-AWEZNQCLSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@H]1CC[N@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820723113 1446697435 /nfs/dbraw/zinc/69/74/35/1446697435.db2.gz WIEDCMQCOZXXOZ-AWEZNQCLSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820723113 1446697440 /nfs/dbraw/zinc/69/74/40/1446697440.db2.gz WIEDCMQCOZXXOZ-AWEZNQCLSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357117 1446709849 /nfs/dbraw/zinc/70/98/49/1446709849.db2.gz DWHWVYCIQXJNGM-MNNVXMFVSA-N 0 1 397.527 3.024 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000826278083 1446714806 /nfs/dbraw/zinc/71/48/06/1446714806.db2.gz QSDWTVYHPUGWFJ-UHFFFAOYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000826278083 1446714812 /nfs/dbraw/zinc/71/48/12/1446714812.db2.gz QSDWTVYHPUGWFJ-UHFFFAOYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000826278083 1446714816 /nfs/dbraw/zinc/71/48/16/1446714816.db2.gz QSDWTVYHPUGWFJ-UHFFFAOYSA-N 0 1 393.495 3.207 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000821650144 1446723900 /nfs/dbraw/zinc/72/39/00/1446723900.db2.gz LCJRHSZDZAFAND-IXDGSTSKSA-N 0 1 395.438 3.098 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000821650144 1446723909 /nfs/dbraw/zinc/72/39/09/1446723909.db2.gz LCJRHSZDZAFAND-IXDGSTSKSA-N 0 1 395.438 3.098 20 0 GGADMN Clc1ccc(O[C@H]2CC[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826352571 1446735061 /nfs/dbraw/zinc/73/50/61/1446735061.db2.gz GEGWFXLFKUXCIS-ZDUSSCGKSA-N 0 1 391.262 3.222 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736407579 1446737830 /nfs/dbraw/zinc/73/78/30/1446737830.db2.gz PLNIIVQYMNJDIW-SFHVURJKSA-N 0 1 396.882 3.468 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736407579 1446737832 /nfs/dbraw/zinc/73/78/32/1446737832.db2.gz PLNIIVQYMNJDIW-SFHVURJKSA-N 0 1 396.882 3.468 20 0 GGADMN CC[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1F ZINC000825439759 1446741364 /nfs/dbraw/zinc/74/13/64/1446741364.db2.gz MZHWOWIAGXGQNF-UHFFFAOYSA-N 0 1 391.248 3.185 20 0 GGADMN CC[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1F ZINC000825439759 1446741367 /nfs/dbraw/zinc/74/13/67/1446741367.db2.gz MZHWOWIAGXGQNF-UHFFFAOYSA-N 0 1 391.248 3.185 20 0 GGADMN Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826290499 1446741336 /nfs/dbraw/zinc/74/13/36/1446741336.db2.gz ONHXSQQTJXKFPO-IFXJQAMLSA-N 0 1 394.454 3.160 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCc1ccccc1OC(F)(F)F ZINC000822743965 1446742125 /nfs/dbraw/zinc/74/21/25/1446742125.db2.gz JCJSQVVOMUCFKQ-UHFFFAOYSA-N 0 1 381.333 3.237 20 0 GGADMN CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccsc1 ZINC000821181413 1446749121 /nfs/dbraw/zinc/74/91/21/1446749121.db2.gz MQSDCYWRWVEWJO-KRWDZBQOSA-N 0 1 386.525 3.110 20 0 GGADMN Cc1c([C@@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cnn1-c1ccc(F)cc1 ZINC000826235221 1446750917 /nfs/dbraw/zinc/75/09/17/1446750917.db2.gz FPMJTSYNUPYCKZ-GFCCVEGCSA-N 0 1 395.417 3.490 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825000494 1446754867 /nfs/dbraw/zinc/75/48/67/1446754867.db2.gz RFNOASKOJFXYJX-NWDGAFQWSA-N 0 1 389.916 3.076 20 0 GGADMN C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420245 1446762619 /nfs/dbraw/zinc/76/26/19/1446762619.db2.gz NYABLSQKSDRSAC-JTQLQIEISA-N 0 1 378.267 3.331 20 0 GGADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853036 1446763700 /nfs/dbraw/zinc/76/37/00/1446763700.db2.gz AYDGTKMWROOZCV-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853036 1446763702 /nfs/dbraw/zinc/76/37/02/1446763702.db2.gz AYDGTKMWROOZCV-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853036 1446763704 /nfs/dbraw/zinc/76/37/04/1446763704.db2.gz AYDGTKMWROOZCV-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853036 1446763706 /nfs/dbraw/zinc/76/37/06/1446763706.db2.gz AYDGTKMWROOZCV-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853036 1446763708 /nfs/dbraw/zinc/76/37/08/1446763708.db2.gz AYDGTKMWROOZCV-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825740326 1446765622 /nfs/dbraw/zinc/76/56/22/1446765622.db2.gz RSLWTWJANYDDIX-LLVKDONJSA-N 0 1 387.285 3.437 20 0 GGADMN Cc1cc([C@@H]([NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262303 1446771272 /nfs/dbraw/zinc/77/12/72/1446771272.db2.gz KZWWWSMNDSCUTD-FQEVSTJZSA-N 0 1 394.454 3.384 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCCc2sccc2C1 ZINC000822733221 1446772960 /nfs/dbraw/zinc/77/29/60/1446772960.db2.gz TYGJIVIJIZXNMH-UHFFFAOYSA-N 0 1 377.420 3.478 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCc2sccc2C1 ZINC000822733221 1446772963 /nfs/dbraw/zinc/77/29/63/1446772963.db2.gz TYGJIVIJIZXNMH-UHFFFAOYSA-N 0 1 377.420 3.478 20 0 GGADMN C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824532483 1446780057 /nfs/dbraw/zinc/78/00/57/1446780057.db2.gz UTUDUQIJCYSJFB-QRWLVFNGSA-N 0 1 380.471 3.494 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC000821598340 1446787744 /nfs/dbraw/zinc/78/77/44/1446787744.db2.gz ZDGWJMBJDATMPO-LJQANCHMSA-N 0 1 376.464 3.205 20 0 GGADMN C[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000821598340 1446787748 /nfs/dbraw/zinc/78/77/48/1446787748.db2.gz ZDGWJMBJDATMPO-LJQANCHMSA-N 0 1 376.464 3.205 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000821598340 1446787754 /nfs/dbraw/zinc/78/77/54/1446787754.db2.gz ZDGWJMBJDATMPO-LJQANCHMSA-N 0 1 376.464 3.205 20 0 GGADMN OCCC[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826509089 1446805698 /nfs/dbraw/zinc/80/56/98/1446805698.db2.gz KZYUJFLQRVELPC-LJQANCHMSA-N 0 1 393.491 3.183 20 0 GGADMN OCCC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826509089 1446805704 /nfs/dbraw/zinc/80/57/04/1446805704.db2.gz KZYUJFLQRVELPC-LJQANCHMSA-N 0 1 393.491 3.183 20 0 GGADMN OCCC[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826509089 1446805707 /nfs/dbraw/zinc/80/57/07/1446805707.db2.gz KZYUJFLQRVELPC-LJQANCHMSA-N 0 1 393.491 3.183 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1cccc(F)c1 ZINC000820115892 1446806083 /nfs/dbraw/zinc/80/60/83/1446806083.db2.gz AYNWXOZDAYJQGZ-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CC(C)[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1cccc(F)c1 ZINC000820115892 1446806086 /nfs/dbraw/zinc/80/60/86/1446806086.db2.gz AYNWXOZDAYJQGZ-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1cccc(F)c1 ZINC000820115892 1446806090 /nfs/dbraw/zinc/80/60/90/1446806090.db2.gz AYNWXOZDAYJQGZ-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000735513532 1446810201 /nfs/dbraw/zinc/81/02/01/1446810201.db2.gz NTPUVWMGTILWSU-QGZVFWFLSA-N 0 1 392.507 3.124 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735513532 1446810202 /nfs/dbraw/zinc/81/02/02/1446810202.db2.gz NTPUVWMGTILWSU-QGZVFWFLSA-N 0 1 392.507 3.124 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000737647471 1446811107 /nfs/dbraw/zinc/81/11/07/1446811107.db2.gz DWOREZSANJUVHH-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824612712 1446841525 /nfs/dbraw/zinc/84/15/25/1446841525.db2.gz OYDZISFJTWLFKM-KKSFZXQISA-N 0 1 393.491 3.282 20 0 GGADMN COc1cc(C)ccc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826178106 1446854507 /nfs/dbraw/zinc/85/45/07/1446854507.db2.gz JZTHZTKCJYZCNG-UHFFFAOYSA-N 0 1 378.480 3.260 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821687526 1446855587 /nfs/dbraw/zinc/85/55/87/1446855587.db2.gz CVGLLCJKXZUXNH-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821687526 1446855591 /nfs/dbraw/zinc/85/55/91/1446855591.db2.gz CVGLLCJKXZUXNH-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821687526 1446855596 /nfs/dbraw/zinc/85/55/96/1446855596.db2.gz CVGLLCJKXZUXNH-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821615673 1446862458 /nfs/dbraw/zinc/86/24/58/1446862458.db2.gz ILIJDPAYJGIOEV-UHFFFAOYSA-N 0 1 375.436 3.099 20 0 GGADMN COc1ccc(Br)cc1C[N@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826186642 1446864509 /nfs/dbraw/zinc/86/45/09/1446864509.db2.gz DTFAELBDBOGBNR-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1ccc(Br)cc1C[N@@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826186642 1446864510 /nfs/dbraw/zinc/86/45/10/1446864510.db2.gz DTFAELBDBOGBNR-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001139850697 1446888824 /nfs/dbraw/zinc/88/88/24/1446888824.db2.gz KPVAUQZYWSAPIE-OAQYLSRUSA-N 0 1 398.511 3.090 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000735560269 1446891856 /nfs/dbraw/zinc/89/18/56/1446891856.db2.gz DFCBLZOLXSEFNU-DZGCQCFKSA-N 0 1 396.882 3.337 20 0 GGADMN C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824936652 1446900717 /nfs/dbraw/zinc/90/07/17/1446900717.db2.gz KUEAOBWSJFHQSO-LAUBAEHRSA-N 0 1 398.555 3.016 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@H+]1CCCN(c3ccccc3-c3nnn[n-]3)CC1)CC2 ZINC000822783005 1446918680 /nfs/dbraw/zinc/91/86/80/1446918680.db2.gz PQVIOEPFNFZWKD-HXUWFJFHSA-N 0 1 378.455 3.205 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@@H+]1CCCN(c3ccccc3-c3nn[n-]n3)CC1)CC2 ZINC000822783005 1446918681 /nfs/dbraw/zinc/91/86/81/1446918681.db2.gz PQVIOEPFNFZWKD-HXUWFJFHSA-N 0 1 378.455 3.205 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@H+]1CCCN(c3ccccc3-c3nn[n-]n3)CC1)CC2 ZINC000822783005 1446918684 /nfs/dbraw/zinc/91/86/84/1446918684.db2.gz PQVIOEPFNFZWKD-HXUWFJFHSA-N 0 1 378.455 3.205 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)cc1-c1nn[n-]n1 ZINC000821803187 1446918725 /nfs/dbraw/zinc/91/87/25/1446918725.db2.gz DEQIKRIEIMDREG-HNNXBMFYSA-N 0 1 398.898 3.287 20 0 GGADMN Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000737643803 1446921619 /nfs/dbraw/zinc/92/16/19/1446921619.db2.gz FVKFDDHUXITHEP-CQSZACIVSA-N 0 1 399.449 3.148 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232960 1446923985 /nfs/dbraw/zinc/92/39/85/1446923985.db2.gz DQNICBWLDUJAHQ-CKEIUWERSA-N 0 1 394.454 3.211 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822549173 1446925753 /nfs/dbraw/zinc/92/57/53/1446925753.db2.gz UQDYEOSJBSIEOK-CQSZACIVSA-N 0 1 394.479 3.316 20 0 GGADMN C[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585998 1446927661 /nfs/dbraw/zinc/92/76/61/1446927661.db2.gz WCNOPOVOUVHPLN-CQSZACIVSA-N 0 1 386.500 3.307 20 0 GGADMN CC(C)[NH+](CCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000820116821 1446928661 /nfs/dbraw/zinc/92/86/61/1446928661.db2.gz OXOMRQOMZCHWKU-UHFFFAOYSA-N 0 1 379.896 3.151 20 0 GGADMN c1c(C[N@H+]2CCSC[C@@H]2c2ccccc2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738429077 1446930879 /nfs/dbraw/zinc/93/08/79/1446930879.db2.gz SPSDAAPKQDBEOG-GOSISDBHSA-N 0 1 376.489 3.410 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735771288 1446935892 /nfs/dbraw/zinc/93/58/92/1446935892.db2.gz NASAZEMMEFEBQR-JXFKEZNVSA-N 0 1 392.507 3.362 20 0 GGADMN COc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821717001 1446940197 /nfs/dbraw/zinc/94/01/97/1446940197.db2.gz JFRMNXLOCKIZEM-RTBURBONSA-N 0 1 391.475 3.439 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736234801 1446941144 /nfs/dbraw/zinc/94/11/44/1446941144.db2.gz KRTRUDILLITIDM-RDJZCZTQSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736234801 1446941147 /nfs/dbraw/zinc/94/11/47/1446941147.db2.gz KRTRUDILLITIDM-RDJZCZTQSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736234801 1446941149 /nfs/dbraw/zinc/94/11/49/1446941149.db2.gz KRTRUDILLITIDM-RDJZCZTQSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2ccccc2C1 ZINC000824571679 1446942044 /nfs/dbraw/zinc/94/20/44/1446942044.db2.gz QXEYHQXMVRREHT-GJZGRUSLSA-N 0 1 380.471 3.103 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000821401658 1446947003 /nfs/dbraw/zinc/94/70/03/1446947003.db2.gz YSWBLJFXJDIKPV-UHFFFAOYSA-N 0 1 397.454 3.362 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000821401658 1446947007 /nfs/dbraw/zinc/94/70/07/1446947007.db2.gz YSWBLJFXJDIKPV-UHFFFAOYSA-N 0 1 397.454 3.362 20 0 GGADMN CCc1cc2c(C[NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2cc1O ZINC000821476280 1446950203 /nfs/dbraw/zinc/95/02/03/1446950203.db2.gz LKILHWKJTFLYJI-GFCCVEGCSA-N 0 1 391.431 3.092 20 0 GGADMN CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825418290 1446951289 /nfs/dbraw/zinc/95/12/89/1446951289.db2.gz ZIRKHWGHFOLTKH-UHFFFAOYSA-N 0 1 398.898 3.292 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826404934 1446953917 /nfs/dbraw/zinc/95/39/17/1446953917.db2.gz QJPDFWPRWMZGIX-KRWDZBQOSA-N 0 1 383.402 3.382 20 0 GGADMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000825639183 1446961194 /nfs/dbraw/zinc/96/11/94/1446961194.db2.gz SPLSIPMTYWTRHB-LJQANCHMSA-N 0 1 389.463 3.250 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)c2c1 ZINC000822195591 1446961541 /nfs/dbraw/zinc/96/15/41/1446961541.db2.gz XMSTVJFURVCIBZ-SMDDNHRTSA-N 0 1 392.385 3.188 20 0 GGADMN Cc1cc(C[NH+](C)C)cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826266463 1446963037 /nfs/dbraw/zinc/96/30/37/1446963037.db2.gz PMDWGOCRBXQTAW-UHFFFAOYSA-N 0 1 396.520 3.109 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1)C(C)C ZINC000736555163 1446981306 /nfs/dbraw/zinc/98/13/06/1446981306.db2.gz IPGBFBAIBOAVKQ-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000736555163 1446981308 /nfs/dbraw/zinc/98/13/08/1446981308.db2.gz IPGBFBAIBOAVKQ-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1)C(C)C ZINC000736555163 1446981312 /nfs/dbraw/zinc/98/13/12/1446981312.db2.gz IPGBFBAIBOAVKQ-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826520294 1446992986 /nfs/dbraw/zinc/99/29/86/1446992986.db2.gz FJADBKXNOOKMRJ-IRLDBZIGSA-N 0 1 388.519 3.052 20 0 GGADMN Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826292504 1446997336 /nfs/dbraw/zinc/99/73/36/1446997336.db2.gz XKPHZNRQJQXUAO-OAQYLSRUSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826292504 1446997339 /nfs/dbraw/zinc/99/73/39/1446997339.db2.gz XKPHZNRQJQXUAO-OAQYLSRUSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(O[C@@H]2CCOC2)c1 ZINC000826288702 1446997386 /nfs/dbraw/zinc/99/73/86/1446997386.db2.gz SMMGHFIGNGICLJ-RHSMWYFYSA-N 0 1 397.454 3.333 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000823674082 1447021216 /nfs/dbraw/zinc/02/12/16/1447021216.db2.gz PYKYXBJEXIYXOD-IBGZPJMESA-N 0 1 393.422 3.335 20 0 GGADMN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825953899 1447030586 /nfs/dbraw/zinc/03/05/86/1447030586.db2.gz QQIMEKYATFLCJW-CABCVRRESA-N 0 1 396.303 3.325 20 0 GGADMN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825953899 1447030587 /nfs/dbraw/zinc/03/05/87/1447030587.db2.gz QQIMEKYATFLCJW-CABCVRRESA-N 0 1 396.303 3.325 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820758834 1447040448 /nfs/dbraw/zinc/04/04/48/1447040448.db2.gz DOPXURFDKPGAIB-CXAGYDPISA-N 0 1 380.477 3.143 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820758834 1447040453 /nfs/dbraw/zinc/04/04/53/1447040453.db2.gz DOPXURFDKPGAIB-CXAGYDPISA-N 0 1 380.477 3.143 20 0 GGADMN c1cc2cccc(C[NH2+]C3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)c2[nH]1 ZINC000826515868 1447056023 /nfs/dbraw/zinc/05/60/23/1447056023.db2.gz NYKLVYQYLQWKLB-UHFFFAOYSA-N 0 1 389.463 3.223 20 0 GGADMN Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3ccc(-c4nn[n-]n4)s3)cc2)n1 ZINC000822197619 1447067441 /nfs/dbraw/zinc/06/74/41/1447067441.db2.gz IMCHLWHUFHMTRB-UHFFFAOYSA-N 0 1 379.493 3.063 20 0 GGADMN C[C@@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824594199 1447076768 /nfs/dbraw/zinc/07/67/68/1447076768.db2.gz YCBSJTYYRUDINC-GFCCVEGCSA-N 0 1 381.465 3.262 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820410041 1447078948 /nfs/dbraw/zinc/07/89/48/1447078948.db2.gz CFFOCISDBSPMPA-RYUDHWBXSA-N 0 1 393.476 3.154 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000822558263 1447092537 /nfs/dbraw/zinc/09/25/37/1447092537.db2.gz NPWYFDZRGSDTSJ-LLVKDONJSA-N 0 1 388.472 3.316 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000822558263 1447092544 /nfs/dbraw/zinc/09/25/44/1447092544.db2.gz NPWYFDZRGSDTSJ-LLVKDONJSA-N 0 1 388.472 3.316 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000737526255 1447100590 /nfs/dbraw/zinc/10/05/90/1447100590.db2.gz ZIXTZPNVRDVXPK-GDIGMMSISA-N 0 1 392.511 3.292 20 0 GGADMN COc1ccc(C[NH2+]CCOc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000821813985 1447105163 /nfs/dbraw/zinc/10/51/63/1447105163.db2.gz QZUWNDJTXLSQHK-UHFFFAOYSA-N 0 1 375.432 3.197 20 0 GGADMN Cc1cccc(N2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)c1C ZINC000737398183 1447119540 /nfs/dbraw/zinc/11/95/40/1447119540.db2.gz FAQPORUVVCWALT-UHFFFAOYSA-N 0 1 385.475 3.358 20 0 GGADMN C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761561 1447121498 /nfs/dbraw/zinc/12/14/98/1447121498.db2.gz BPVGLBTXHALRQT-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761561 1447121502 /nfs/dbraw/zinc/12/15/02/1447121502.db2.gz BPVGLBTXHALRQT-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761561 1447121505 /nfs/dbraw/zinc/12/15/05/1447121505.db2.gz BPVGLBTXHALRQT-SECBINFHSA-N 0 1 395.298 3.104 20 0 GGADMN Fc1cccnc1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826378618 1447131058 /nfs/dbraw/zinc/13/10/58/1447131058.db2.gz SLZZTCSHHZTAQX-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000826168628 1447142476 /nfs/dbraw/zinc/14/24/76/1447142476.db2.gz TUZPSOGBDRXBEQ-HXUWFJFHSA-N 0 1 393.491 3.137 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000820555050 1447143701 /nfs/dbraw/zinc/14/37/01/1447143701.db2.gz FGJYVDUAQQPQMB-NSHDSACASA-N 0 1 375.274 3.161 20 0 GGADMN COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826217152 1447145781 /nfs/dbraw/zinc/14/57/81/1447145781.db2.gz ZUPRGGRZJVIPIR-CABCVRRESA-N 0 1 396.470 3.192 20 0 GGADMN Cc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826297051 1447145855 /nfs/dbraw/zinc/14/58/55/1447145855.db2.gz TUFDELYLIBKMCP-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735617884 1447151021 /nfs/dbraw/zinc/15/10/21/1447151021.db2.gz DYKWMVWFCHSMBY-LJQANCHMSA-N 0 1 395.507 3.155 20 0 GGADMN CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000735617884 1447151022 /nfs/dbraw/zinc/15/10/22/1447151022.db2.gz DYKWMVWFCHSMBY-LJQANCHMSA-N 0 1 395.507 3.155 20 0 GGADMN CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000735617884 1447151023 /nfs/dbraw/zinc/15/10/23/1447151023.db2.gz DYKWMVWFCHSMBY-LJQANCHMSA-N 0 1 395.507 3.155 20 0 GGADMN COc1ccccc1[C@@H]1CCCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821889722 1447156887 /nfs/dbraw/zinc/15/68/87/1447156887.db2.gz FDFVGDZEWFKHEC-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821889722 1447156890 /nfs/dbraw/zinc/15/68/90/1447156890.db2.gz FDFVGDZEWFKHEC-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821889722 1447156893 /nfs/dbraw/zinc/15/68/93/1447156893.db2.gz FDFVGDZEWFKHEC-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN CC[N@H+](Cc1nc(=O)c2ccccc2[nH]1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555358 1447184746 /nfs/dbraw/zinc/18/47/46/1447184746.db2.gz HOTHDIGMTPKRIA-CYBMUJFWSA-N 0 1 375.436 3.099 20 0 GGADMN CC[N@@H+](Cc1nc(=O)c2ccccc2[nH]1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555358 1447184749 /nfs/dbraw/zinc/18/47/49/1447184749.db2.gz HOTHDIGMTPKRIA-CYBMUJFWSA-N 0 1 375.436 3.099 20 0 GGADMN C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826073405 1447214033 /nfs/dbraw/zinc/21/40/33/1447214033.db2.gz QTKOWAGXCXSUEO-UHFFFAOYSA-N 0 1 395.467 3.087 20 0 GGADMN FC(F)(F)Oc1ccccc1CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21 ZINC000737625525 1447229567 /nfs/dbraw/zinc/22/95/67/1447229567.db2.gz BJNJAQLWXAAOAJ-UHFFFAOYSA-N 0 1 386.337 3.348 20 0 GGADMN Cc1c([C@@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cnn1-c1ccccc1 ZINC000826235553 1447251057 /nfs/dbraw/zinc/25/10/57/1447251057.db2.gz LUKGVDUZNGDOAS-CYBMUJFWSA-N 0 1 377.427 3.351 20 0 GGADMN Fc1ccc2c(c1)[nH+]ccc2N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826375938 1447251552 /nfs/dbraw/zinc/25/15/52/1447251552.db2.gz IIPKMNHRAOFRSJ-IBGZPJMESA-N 0 1 376.395 3.132 20 0 GGADMN CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270346 1447252452 /nfs/dbraw/zinc/25/24/52/1447252452.db2.gz CIMHRFRPJGSZQV-IIBYNOLFSA-N 0 1 395.507 3.218 20 0 GGADMN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735466087 1447270661 /nfs/dbraw/zinc/27/06/61/1447270661.db2.gz RCJDAIUZLOKXNY-IERDGZPVSA-N 0 1 396.539 3.431 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736229001 1447275140 /nfs/dbraw/zinc/27/51/40/1447275140.db2.gz PMKOOFDXLJPMCH-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736229001 1447275146 /nfs/dbraw/zinc/27/51/46/1447275146.db2.gz PMKOOFDXLJPMCH-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736229001 1447275150 /nfs/dbraw/zinc/27/51/50/1447275150.db2.gz PMKOOFDXLJPMCH-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736400171 1447289940 /nfs/dbraw/zinc/28/99/40/1447289940.db2.gz MQKGQTRKASLAPZ-ZDUSSCGKSA-N 0 1 387.438 3.370 20 0 GGADMN CC[C@H]1CCCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736400171 1447289943 /nfs/dbraw/zinc/28/99/43/1447289943.db2.gz MQKGQTRKASLAPZ-ZDUSSCGKSA-N 0 1 387.438 3.370 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736400171 1447289944 /nfs/dbraw/zinc/28/99/44/1447289944.db2.gz MQKGQTRKASLAPZ-ZDUSSCGKSA-N 0 1 387.438 3.370 20 0 GGADMN Cc1ccccc1C[NH+]1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737428925 1447307863 /nfs/dbraw/zinc/30/78/63/1447307863.db2.gz XZVQIZWZOJTYIT-UHFFFAOYSA-N 0 1 383.887 3.300 20 0 GGADMN CC(C)[C@H]1C[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824225050 1447331353 /nfs/dbraw/zinc/33/13/53/1447331353.db2.gz RUHMQWHVKHQRAR-OAQYLSRUSA-N 0 1 393.491 3.303 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824225050 1447331359 /nfs/dbraw/zinc/33/13/59/1447331359.db2.gz RUHMQWHVKHQRAR-OAQYLSRUSA-N 0 1 393.491 3.303 20 0 GGADMN CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821139250 1449012531 /nfs/dbraw/zinc/01/25/31/1449012531.db2.gz RKYBODQYEQQFMT-AWEZNQCLSA-N 0 1 396.470 3.007 20 0 GGADMN CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821139250 1449012539 /nfs/dbraw/zinc/01/25/39/1449012539.db2.gz RKYBODQYEQQFMT-AWEZNQCLSA-N 0 1 396.470 3.007 20 0 GGADMN CCCn1nc(C)c(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000825362215 1449013231 /nfs/dbraw/zinc/01/32/31/1449013231.db2.gz KDBBSYHUYVXODE-UHFFFAOYSA-N 0 1 377.496 3.379 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233004 1449016387 /nfs/dbraw/zinc/01/63/87/1449016387.db2.gz GELHBSOCIGMKFE-HBMCJLEFSA-N 0 1 377.492 3.477 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233004 1449016394 /nfs/dbraw/zinc/01/63/94/1449016394.db2.gz GELHBSOCIGMKFE-HBMCJLEFSA-N 0 1 377.492 3.477 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233004 1449016401 /nfs/dbraw/zinc/01/64/01/1449016401.db2.gz GELHBSOCIGMKFE-HBMCJLEFSA-N 0 1 377.492 3.477 20 0 GGADMN COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)CC3 ZINC000826212254 1449028522 /nfs/dbraw/zinc/02/85/22/1449028522.db2.gz LBAXUFKSBZCVEN-CQSZACIVSA-N 0 1 392.438 3.143 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000737331602 1449037392 /nfs/dbraw/zinc/03/73/92/1449037392.db2.gz QAIMPWBIVDNOJZ-AWEZNQCLSA-N 0 1 386.481 3.385 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826502164 1449037973 /nfs/dbraw/zinc/03/79/73/1449037973.db2.gz XIGYVYPRBZVMDX-AZUAARDMSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502164 1449037979 /nfs/dbraw/zinc/03/79/79/1449037979.db2.gz XIGYVYPRBZVMDX-AZUAARDMSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502164 1449037986 /nfs/dbraw/zinc/03/79/86/1449037986.db2.gz XIGYVYPRBZVMDX-AZUAARDMSA-N 0 1 378.480 3.130 20 0 GGADMN Cc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822356457 1449040057 /nfs/dbraw/zinc/04/00/57/1449040057.db2.gz TVTVPIAARKIBTL-HXUWFJFHSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822356457 1449040061 /nfs/dbraw/zinc/04/00/61/1449040061.db2.gz TVTVPIAARKIBTL-HXUWFJFHSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822356457 1449040068 /nfs/dbraw/zinc/04/00/68/1449040068.db2.gz TVTVPIAARKIBTL-HXUWFJFHSA-N 0 1 390.491 3.211 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000826168179 1449057133 /nfs/dbraw/zinc/05/71/33/1449057133.db2.gz FEILFHOSXBAXMZ-MRXNPFEDSA-N 0 1 385.493 3.118 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000826168179 1449057140 /nfs/dbraw/zinc/05/71/40/1449057140.db2.gz FEILFHOSXBAXMZ-MRXNPFEDSA-N 0 1 385.493 3.118 20 0 GGADMN CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000820989436 1449072303 /nfs/dbraw/zinc/07/23/03/1449072303.db2.gz SMTILLKVUOGFDQ-CYBMUJFWSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820989436 1449072308 /nfs/dbraw/zinc/07/23/08/1449072308.db2.gz SMTILLKVUOGFDQ-CYBMUJFWSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820989436 1449072314 /nfs/dbraw/zinc/07/23/14/1449072314.db2.gz SMTILLKVUOGFDQ-CYBMUJFWSA-N 0 1 388.541 3.258 20 0 GGADMN FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](C(F)(F)F)C1 ZINC000822714943 1449080985 /nfs/dbraw/zinc/08/09/85/1449080985.db2.gz WVDNIJZOTVHIJS-BRPSZJMVSA-N 0 1 383.296 3.459 20 0 GGADMN Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc(-c2ccncc2)n1 ZINC000826269808 1449086909 /nfs/dbraw/zinc/08/69/09/1449086909.db2.gz YCXNWVCQKHZXLR-UHFFFAOYSA-N 0 1 396.458 3.321 20 0 GGADMN Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000826269808 1449086916 /nfs/dbraw/zinc/08/69/16/1449086916.db2.gz YCXNWVCQKHZXLR-UHFFFAOYSA-N 0 1 396.458 3.321 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820684413 1449098041 /nfs/dbraw/zinc/09/80/41/1449098041.db2.gz PHXZKMWYECMPSC-GASCZTMLSA-N 0 1 392.463 3.470 20 0 GGADMN C[NH+]1CCC([C@@H]2CCN(c3c(-c4nnn[n-]4)cnc4ccc(Cl)cc43)C2)CC1 ZINC000826022323 1449105287 /nfs/dbraw/zinc/10/52/87/1449105287.db2.gz JUTMXGDSLHQHSW-CQSZACIVSA-N 0 1 397.914 3.236 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C)c1-c1nnn[n-]1 ZINC000822015898 1449110584 /nfs/dbraw/zinc/11/05/84/1449110584.db2.gz QPZAFGYLSLXIOB-CYBMUJFWSA-N 0 1 385.516 3.213 20 0 GGADMN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820301151 1449111351 /nfs/dbraw/zinc/11/13/51/1449111351.db2.gz VQVCSYVELNMZBY-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN Cc1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312622 1449120182 /nfs/dbraw/zinc/12/01/82/1449120182.db2.gz KFJLDUWEHFPIAC-GDBMZVCRSA-N 0 1 387.850 3.220 20 0 GGADMN Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312622 1449120185 /nfs/dbraw/zinc/12/01/85/1449120185.db2.gz KFJLDUWEHFPIAC-GDBMZVCRSA-N 0 1 387.850 3.220 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821611185 1449122877 /nfs/dbraw/zinc/12/28/77/1449122877.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821611185 1449122882 /nfs/dbraw/zinc/12/28/82/1449122882.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821611185 1449122887 /nfs/dbraw/zinc/12/28/87/1449122887.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821611185 1449122891 /nfs/dbraw/zinc/12/28/91/1449122891.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821611185 1449122895 /nfs/dbraw/zinc/12/28/95/1449122895.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821611185 1449122899 /nfs/dbraw/zinc/12/28/99/1449122899.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821611185 1449122902 /nfs/dbraw/zinc/12/29/02/1449122902.db2.gz UWVUTVMRCWZUIC-LJQANCHMSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000826329367 1449130034 /nfs/dbraw/zinc/13/00/34/1449130034.db2.gz ZRPRADSZIJTLFB-QGZVFWFLSA-N 0 1 391.454 3.329 20 0 GGADMN Cc1nccn1CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000826331599 1449133658 /nfs/dbraw/zinc/13/36/58/1449133658.db2.gz PUKQCDCLALASQE-UHFFFAOYSA-N 0 1 391.454 3.213 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853335 1449137237 /nfs/dbraw/zinc/13/72/37/1449137237.db2.gz NMCOGPWXLPGKAC-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853335 1449137244 /nfs/dbraw/zinc/13/72/44/1449137244.db2.gz NMCOGPWXLPGKAC-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853335 1449137248 /nfs/dbraw/zinc/13/72/48/1449137248.db2.gz NMCOGPWXLPGKAC-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000822723621 1449143518 /nfs/dbraw/zinc/14/35/18/1449143518.db2.gz IHAHOBHZINZSLR-UHFFFAOYSA-N 0 1 395.433 3.490 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000821669143 1449144625 /nfs/dbraw/zinc/14/46/25/1449144625.db2.gz ZLUGYOAPDIEYHF-UHFFFAOYSA-N 0 1 383.427 3.203 20 0 GGADMN c1ccc([C@H]([NH2+]CCOc2cccc(-c3nnn[n-]3)c2)C2CCOCC2)cc1 ZINC000826521112 1449153756 /nfs/dbraw/zinc/15/37/56/1449153756.db2.gz ZTPLTDCTVIDPAJ-FQEVSTJZSA-N 0 1 379.464 3.003 20 0 GGADMN CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139854054 1449214050 /nfs/dbraw/zinc/21/40/50/1449214050.db2.gz VEEPPXOFPJOGQO-UHFFFAOYSA-N 0 1 376.508 3.353 20 0 GGADMN CC[N@H+](Cc1ccccc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139854054 1449214058 /nfs/dbraw/zinc/21/40/58/1449214058.db2.gz VEEPPXOFPJOGQO-UHFFFAOYSA-N 0 1 376.508 3.353 20 0 GGADMN CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139854054 1449214068 /nfs/dbraw/zinc/21/40/68/1449214068.db2.gz VEEPPXOFPJOGQO-UHFFFAOYSA-N 0 1 376.508 3.353 20 0 GGADMN CCC(C)(C)[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000736315284 1449223688 /nfs/dbraw/zinc/22/36/88/1449223688.db2.gz RJXHAFIJLCCALZ-UHFFFAOYSA-N 0 1 387.532 3.459 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822083838 1449231862 /nfs/dbraw/zinc/23/18/62/1449231862.db2.gz DXPNNAGTNOLITB-DOTOQJQBSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083838 1449231868 /nfs/dbraw/zinc/23/18/68/1449231868.db2.gz DXPNNAGTNOLITB-DOTOQJQBSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083838 1449231874 /nfs/dbraw/zinc/23/18/74/1449231874.db2.gz DXPNNAGTNOLITB-DOTOQJQBSA-N 0 1 397.527 3.293 20 0 GGADMN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825494670 1449258218 /nfs/dbraw/zinc/25/82/18/1449258218.db2.gz ZWACVCJKHNKTAS-DAXOMENPSA-N 0 1 393.438 3.275 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(Nc3cccc(F)c3-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000736291702 1449259596 /nfs/dbraw/zinc/25/95/96/1449259596.db2.gz YBJRQZZNWJQVHT-ZIAGYGMSSA-N 0 1 382.443 3.359 20 0 GGADMN COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)c21 ZINC000826217180 1449265151 /nfs/dbraw/zinc/26/51/51/1449265151.db2.gz AUKZVFZQEJZBNI-LBPRGKRZSA-N 0 1 380.427 3.389 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820664490 1449278038 /nfs/dbraw/zinc/27/80/38/1449278038.db2.gz ARSNUCFAQGKRDG-IFXJQAMLSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820292371 1449282460 /nfs/dbraw/zinc/28/24/60/1449282460.db2.gz DREOQOXUHHQULT-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826294110 1449314902 /nfs/dbraw/zinc/31/49/02/1449314902.db2.gz IZMHQMPRMXESQJ-FQEVSTJZSA-N 0 1 385.475 3.353 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(C(=O)OC(C)(C)C)cc2)[nH+]1 ZINC000822192945 1449317182 /nfs/dbraw/zinc/31/71/82/1449317182.db2.gz GKUOFEBJJHBFOB-UHFFFAOYSA-N 0 1 380.452 3.446 20 0 GGADMN CC[C@@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736350426 1449318123 /nfs/dbraw/zinc/31/81/23/1449318123.db2.gz NJOUWPCFGLSEKX-IBGZPJMESA-N 0 1 398.555 3.363 20 0 GGADMN COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC000821782727 1449321373 /nfs/dbraw/zinc/32/13/73/1449321373.db2.gz LWGKVACPBIGCAW-UHFFFAOYSA-N 0 1 399.520 3.083 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000737640479 1449331690 /nfs/dbraw/zinc/33/16/90/1449331690.db2.gz YLUCEMRLWRVMSU-UHFFFAOYSA-N 0 1 381.333 3.237 20 0 GGADMN CCOC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000825589874 1449333639 /nfs/dbraw/zinc/33/36/39/1449333639.db2.gz LHNDIYDKVDWGOF-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN CCOC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000825589874 1449333645 /nfs/dbraw/zinc/33/36/45/1449333645.db2.gz LHNDIYDKVDWGOF-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN CCOC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000825589874 1449333650 /nfs/dbraw/zinc/33/36/50/1449333650.db2.gz LHNDIYDKVDWGOF-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569058 1449356313 /nfs/dbraw/zinc/35/63/13/1449356313.db2.gz GFYRGXZBGUVSNG-KSSFIOAISA-N 0 1 383.471 3.459 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000735564497 1449391703 /nfs/dbraw/zinc/39/17/03/1449391703.db2.gz XQNYCPCMYFBHTA-CQSZACIVSA-N 0 1 394.454 3.212 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822361438 1449407689 /nfs/dbraw/zinc/40/76/89/1449407689.db2.gz BCOWKAUDSULBDR-UHFFFAOYSA-N 0 1 376.464 3.168 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822361438 1449407691 /nfs/dbraw/zinc/40/76/91/1449407691.db2.gz BCOWKAUDSULBDR-UHFFFAOYSA-N 0 1 376.464 3.168 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822361438 1449407693 /nfs/dbraw/zinc/40/76/93/1449407693.db2.gz BCOWKAUDSULBDR-UHFFFAOYSA-N 0 1 376.464 3.168 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1-c1nnn[n-]1 ZINC000822772422 1449407703 /nfs/dbraw/zinc/40/77/03/1449407703.db2.gz YFJJCWMOWVBPPO-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826297871 1449416761 /nfs/dbraw/zinc/41/67/61/1449416761.db2.gz VREGCPBLVKHEBF-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN Cc1cccc(C2=CC[N@H+](CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297871 1449416764 /nfs/dbraw/zinc/41/67/64/1449416764.db2.gz VREGCPBLVKHEBF-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826297871 1449416767 /nfs/dbraw/zinc/41/67/67/1449416767.db2.gz VREGCPBLVKHEBF-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826506229 1449430119 /nfs/dbraw/zinc/43/01/19/1449430119.db2.gz PFXYVQGSJJPMTA-DLBZAZTESA-N 0 1 389.381 3.193 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000821188810 1449435759 /nfs/dbraw/zinc/43/57/59/1449435759.db2.gz CYGKIVNZTYEINS-UHFFFAOYSA-N 0 1 388.413 3.102 20 0 GGADMN Clc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(Cl)c1 ZINC000737577316 1449436832 /nfs/dbraw/zinc/43/68/32/1449436832.db2.gz VPYGHBZQQOJKSO-UHFFFAOYSA-N 0 1 388.262 3.154 20 0 GGADMN O[C@@H](C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(Cl)c1 ZINC000823674429 1449436887 /nfs/dbraw/zinc/43/68/87/1449436887.db2.gz QKGZEUOWFDENIL-IBGZPJMESA-N 0 1 399.882 3.097 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333510 1449453236 /nfs/dbraw/zinc/45/32/36/1449453236.db2.gz KUJRRWLDAPKKCP-UHFFFAOYSA-N 0 1 394.479 3.115 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333510 1449453238 /nfs/dbraw/zinc/45/32/38/1449453238.db2.gz KUJRRWLDAPKKCP-UHFFFAOYSA-N 0 1 394.479 3.115 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333510 1449453243 /nfs/dbraw/zinc/45/32/43/1449453243.db2.gz KUJRRWLDAPKKCP-UHFFFAOYSA-N 0 1 394.479 3.115 20 0 GGADMN Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826329334 1449473526 /nfs/dbraw/zinc/47/35/26/1449473526.db2.gz ZAUMVHQSYRFEPR-CYBMUJFWSA-N 0 1 379.443 3.405 20 0 GGADMN Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826310550 1449478303 /nfs/dbraw/zinc/47/83/03/1449478303.db2.gz YXWBEHBWUHKFQV-RTBURBONSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310550 1449478305 /nfs/dbraw/zinc/47/83/05/1449478305.db2.gz YXWBEHBWUHKFQV-RTBURBONSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310550 1449478307 /nfs/dbraw/zinc/47/83/07/1449478307.db2.gz YXWBEHBWUHKFQV-RTBURBONSA-N 0 1 389.507 3.061 20 0 GGADMN CSCC[C@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nnc2ccccn21 ZINC000826228514 1449488746 /nfs/dbraw/zinc/48/87/46/1449488746.db2.gz REPCCAUSHSOQAC-CJNGLKHVSA-N 0 1 394.508 3.054 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723308 1449494494 /nfs/dbraw/zinc/49/44/94/1449494494.db2.gz CYINFGGAPJHKQY-WBMJQRKESA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723308 1449494500 /nfs/dbraw/zinc/49/45/00/1449494500.db2.gz CYINFGGAPJHKQY-WBMJQRKESA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723308 1449494502 /nfs/dbraw/zinc/49/45/02/1449494502.db2.gz CYINFGGAPJHKQY-WBMJQRKESA-N 0 1 392.429 3.339 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738433603 1449495376 /nfs/dbraw/zinc/49/53/76/1449495376.db2.gz UMJPTIATQAVNGP-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@@H+]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738433603 1449495378 /nfs/dbraw/zinc/49/53/78/1449495378.db2.gz UMJPTIATQAVNGP-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738433603 1449495382 /nfs/dbraw/zinc/49/53/82/1449495382.db2.gz UMJPTIATQAVNGP-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN C[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585577 1449504695 /nfs/dbraw/zinc/50/46/95/1449504695.db2.gz SOIIXVOETJBSLQ-AWEZNQCLSA-N 0 1 386.500 3.307 20 0 GGADMN C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826022294 1449512599 /nfs/dbraw/zinc/51/25/99/1449512599.db2.gz IVLVZFLUPQBWES-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000822167838 1449529883 /nfs/dbraw/zinc/52/98/83/1449529883.db2.gz JCRNRHYOSQBNER-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826194260 1449530765 /nfs/dbraw/zinc/53/07/65/1449530765.db2.gz HBWOMHBAVSLIQZ-HKUYNNGSSA-N 0 1 397.454 3.103 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194260 1449530771 /nfs/dbraw/zinc/53/07/71/1449530771.db2.gz HBWOMHBAVSLIQZ-HKUYNNGSSA-N 0 1 397.454 3.103 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194260 1449530777 /nfs/dbraw/zinc/53/07/77/1449530777.db2.gz HBWOMHBAVSLIQZ-HKUYNNGSSA-N 0 1 397.454 3.103 20 0 GGADMN O[C@@H](C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(Cl)c1 ZINC000823675764 1449533016 /nfs/dbraw/zinc/53/30/16/1449533016.db2.gz ZIQKHENVXXLMDM-IBGZPJMESA-N 0 1 399.882 3.097 20 0 GGADMN Fc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCCC2)cc1 ZINC000737650120 1449534378 /nfs/dbraw/zinc/53/43/78/1449534378.db2.gz NNNWZMPWWBQRES-UHFFFAOYSA-N 0 1 391.454 3.255 20 0 GGADMN Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000737435382 1449543909 /nfs/dbraw/zinc/54/39/09/1449543909.db2.gz NFTHDNNIMYHAHC-KRWDZBQOSA-N 0 1 399.886 3.149 20 0 GGADMN O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917110 1449547004 /nfs/dbraw/zinc/54/70/04/1449547004.db2.gz NPXSOKUOFLXVSL-SFHVURJKSA-N 0 1 394.523 3.012 20 0 GGADMN O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917110 1449547009 /nfs/dbraw/zinc/54/70/09/1449547009.db2.gz NPXSOKUOFLXVSL-SFHVURJKSA-N 0 1 394.523 3.012 20 0 GGADMN O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917110 1449547015 /nfs/dbraw/zinc/54/70/15/1449547015.db2.gz NPXSOKUOFLXVSL-SFHVURJKSA-N 0 1 394.523 3.012 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCC1 ZINC000820893833 1449547666 /nfs/dbraw/zinc/54/76/66/1449547666.db2.gz WWPUBXLNVOYPJS-DNVCBOLYSA-N 0 1 399.543 3.128 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000736195297 1449563013 /nfs/dbraw/zinc/56/30/13/1449563013.db2.gz FVMWURYXWBJBHT-CQSZACIVSA-N 0 1 396.882 3.039 20 0 GGADMN C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824899833 1449564542 /nfs/dbraw/zinc/56/45/42/1449564542.db2.gz PFSCUFDZSBCHPV-UGSOOPFHSA-N 0 1 389.463 3.273 20 0 GGADMN Cn1cc(C[NH2+]CC(C)(C)c2cccs2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361084 1449564852 /nfs/dbraw/zinc/56/48/52/1449564852.db2.gz KOPXYLRFBXIURR-UHFFFAOYSA-N 0 1 393.520 3.396 20 0 GGADMN COC(=O)CCC1CCN(c2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000821660545 1449567302 /nfs/dbraw/zinc/56/73/02/1449567302.db2.gz VKIDTTWRDIXKMW-UHFFFAOYSA-N 0 1 394.479 3.201 20 0 GGADMN c1cc([C@H]2CCC[N@@H+]2CCCOc2ccc(-c3nnn[n-]3)cc2)cc2c1OCO2 ZINC000738413366 1449571832 /nfs/dbraw/zinc/57/18/32/1449571832.db2.gz UKASWXSKVUFFDW-GOSISDBHSA-N 0 1 393.447 3.201 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000824548521 1449576175 /nfs/dbraw/zinc/57/61/75/1449576175.db2.gz XLPAXEBWDOBNPA-HDMKZQKVSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824548521 1449576179 /nfs/dbraw/zinc/57/61/79/1449576179.db2.gz XLPAXEBWDOBNPA-HDMKZQKVSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000824548521 1449576186 /nfs/dbraw/zinc/57/61/86/1449576186.db2.gz XLPAXEBWDOBNPA-HDMKZQKVSA-N 0 1 380.471 3.492 20 0 GGADMN c1ccc2c(C[N@H+]3CCCN(c4ccccc4-c4nnn[n-]4)CC3)ccnc2c1 ZINC000826522068 1449581668 /nfs/dbraw/zinc/58/16/68/1449581668.db2.gz LBJAAPPRPQMFCO-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc2c(C[N@@H+]3CCCN(c4ccccc4-c4nn[n-]n4)CC3)ccnc2c1 ZINC000826522068 1449581673 /nfs/dbraw/zinc/58/16/73/1449581673.db2.gz LBJAAPPRPQMFCO-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc2c(C[N@H+]3CCCN(c4ccccc4-c4nn[n-]n4)CC3)ccnc2c1 ZINC000826522068 1449581675 /nfs/dbraw/zinc/58/16/75/1449581675.db2.gz LBJAAPPRPQMFCO-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826310549 1449589050 /nfs/dbraw/zinc/58/90/50/1449589050.db2.gz YXWBEHBWUHKFQV-RBUKOAKNSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310549 1449589054 /nfs/dbraw/zinc/58/90/54/1449589054.db2.gz YXWBEHBWUHKFQV-RBUKOAKNSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310549 1449589057 /nfs/dbraw/zinc/58/90/57/1449589057.db2.gz YXWBEHBWUHKFQV-RBUKOAKNSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(C)cc1 ZINC000822224921 1449596076 /nfs/dbraw/zinc/59/60/76/1449596076.db2.gz GARIEXTUCXAEMS-LSDHHAIUSA-N 0 1 388.479 3.476 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(c1c(-c3nnn[n-]3)c[nH+]c3c(C)cccc31)C2 ZINC000819825996 1449599227 /nfs/dbraw/zinc/59/92/27/1449599227.db2.gz BRYVKXGOBUCDOJ-UHFFFAOYSA-N 0 1 399.458 3.244 20 0 GGADMN COc1cccc([C@@H]2[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)CC[N@H+]2C2CC2)c1 ZINC000826214970 1449600802 /nfs/dbraw/zinc/60/08/02/1449600802.db2.gz CBVWMQUXDXXPQH-AZUAARDMSA-N 0 1 394.454 3.404 20 0 GGADMN Cc1ccc2c(C[NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1C ZINC000822274848 1449626456 /nfs/dbraw/zinc/62/64/56/1449626456.db2.gz KNLRPDHGRFKJCS-CQSZACIVSA-N 0 1 375.432 3.441 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000736198850 1449626436 /nfs/dbraw/zinc/62/64/36/1449626436.db2.gz VFOWHRAUFJUXMJ-CQSZACIVSA-N 0 1 377.448 3.228 20 0 GGADMN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823323677 1449630488 /nfs/dbraw/zinc/63/04/88/1449630488.db2.gz YSGROPANHGZNBD-UHFFFAOYSA-N 0 1 382.493 3.209 20 0 GGADMN OC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCCC1 ZINC000738386492 1449642508 /nfs/dbraw/zinc/64/25/08/1449642508.db2.gz LLDOMCLBUYKJGS-UHFFFAOYSA-N 0 1 393.491 3.231 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028726 1449645139 /nfs/dbraw/zinc/64/51/39/1449645139.db2.gz GTIVYWZMGATDRM-ZBFHGGJFSA-N 0 1 392.891 3.256 20 0 GGADMN Cn1cc(C[NH2+][C@H]2CCCc3sccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361144 1449649686 /nfs/dbraw/zinc/64/96/86/1449649686.db2.gz NBPYUDWAAIGKKQ-KRWDZBQOSA-N 0 1 391.504 3.496 20 0 GGADMN Clc1ccc([C@H]2CC[N@@H+](Cc3cnc4ccc(-c5nnn[n-]5)cn34)C2)cc1 ZINC000826351304 1449668643 /nfs/dbraw/zinc/66/86/43/1449668643.db2.gz HUTWNRLIXHHWQC-AWEZNQCLSA-N 0 1 379.855 3.157 20 0 GGADMN C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824568638 1449671916 /nfs/dbraw/zinc/67/19/16/1449671916.db2.gz BIZMWELEICIZOY-KBXCAEBGSA-N 0 1 383.471 3.459 20 0 GGADMN C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736860761 1449689331 /nfs/dbraw/zinc/68/93/31/1449689331.db2.gz VKPBKUSKXKYEDX-SFHVURJKSA-N 0 1 378.436 3.082 20 0 GGADMN C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736860761 1449689337 /nfs/dbraw/zinc/68/93/37/1449689337.db2.gz VKPBKUSKXKYEDX-SFHVURJKSA-N 0 1 378.436 3.082 20 0 GGADMN OCCC1CC[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826509452 1449696972 /nfs/dbraw/zinc/69/69/72/1449696972.db2.gz VZIWICRNRJGTJF-UHFFFAOYSA-N 0 1 393.491 3.040 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCc3cc(Br)cc(F)c3C2)[nH+]1 ZINC000826275137 1449735971 /nfs/dbraw/zinc/73/59/71/1449735971.db2.gz QDBSFUHPMKZFFK-UHFFFAOYSA-N 0 1 389.232 3.034 20 0 GGADMN c1cc(C[N@H+]2CCCSCC2)cc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826515526 1449743619 /nfs/dbraw/zinc/74/36/19/1449743619.db2.gz BLFSLGUQBPLNLU-UHFFFAOYSA-N 0 1 381.505 3.385 20 0 GGADMN c1cc(C[N@@H+]2CCCSCC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826515526 1449743624 /nfs/dbraw/zinc/74/36/24/1449743624.db2.gz BLFSLGUQBPLNLU-UHFFFAOYSA-N 0 1 381.505 3.385 20 0 GGADMN c1cc(C[N@H+]2CCCSCC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826515526 1449743631 /nfs/dbraw/zinc/74/36/31/1449743631.db2.gz BLFSLGUQBPLNLU-UHFFFAOYSA-N 0 1 381.505 3.385 20 0 GGADMN CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820226423 1449760568 /nfs/dbraw/zinc/76/05/68/1449760568.db2.gz VLGGXFJYJAOSEF-OAHLLOKOSA-N 0 1 378.480 3.497 20 0 GGADMN Fc1ccc(C=CCN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826373868 1449771111 /nfs/dbraw/zinc/77/11/11/1449771111.db2.gz CFIWFOSHFKTIFF-HNQUOIGGSA-N 0 1 392.482 3.227 20 0 GGADMN Fc1ccc(C=CCN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826373868 1449771114 /nfs/dbraw/zinc/77/11/14/1449771114.db2.gz CFIWFOSHFKTIFF-HNQUOIGGSA-N 0 1 392.482 3.227 20 0 GGADMN Fc1ccc(C=CCN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826373868 1449771120 /nfs/dbraw/zinc/77/11/20/1449771120.db2.gz CFIWFOSHFKTIFF-HNQUOIGGSA-N 0 1 392.482 3.227 20 0 GGADMN C[C@@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(C)CC1 ZINC000820307339 1449782403 /nfs/dbraw/zinc/78/24/03/1449782403.db2.gz LOOHIUVWUXYRJN-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]([N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(C)CC1 ZINC000820307339 1449782405 /nfs/dbraw/zinc/78/24/05/1449782405.db2.gz LOOHIUVWUXYRJN-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(C)CC1 ZINC000820307339 1449782406 /nfs/dbraw/zinc/78/24/06/1449782406.db2.gz LOOHIUVWUXYRJN-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737075443 1449831315 /nfs/dbraw/zinc/83/13/15/1449831315.db2.gz JXIFUZHWQRUKQH-GOSISDBHSA-N 0 1 395.463 3.100 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360553 1449848308 /nfs/dbraw/zinc/84/83/08/1449848308.db2.gz OWLCYRQEWCPWPB-LJQANCHMSA-N 0 1 385.475 3.257 20 0 GGADMN Cn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360553 1449848315 /nfs/dbraw/zinc/84/83/15/1449848315.db2.gz OWLCYRQEWCPWPB-LJQANCHMSA-N 0 1 385.475 3.257 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360553 1449848321 /nfs/dbraw/zinc/84/83/21/1449848321.db2.gz OWLCYRQEWCPWPB-LJQANCHMSA-N 0 1 385.475 3.257 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@@H](O)c3ccccc3Cl)c2c1 ZINC000822194965 1449854564 /nfs/dbraw/zinc/85/45/64/1449854564.db2.gz BPJLMGMPLLLDPZ-QGZVFWFLSA-N 0 1 394.866 3.253 20 0 GGADMN O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822917109 1449890001 /nfs/dbraw/zinc/89/00/01/1449890001.db2.gz NPXSOKUOFLXVSL-GOSISDBHSA-N 0 1 394.523 3.012 20 0 GGADMN O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917109 1449890003 /nfs/dbraw/zinc/89/00/03/1449890003.db2.gz NPXSOKUOFLXVSL-GOSISDBHSA-N 0 1 394.523 3.012 20 0 GGADMN O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822917109 1449890005 /nfs/dbraw/zinc/89/00/05/1449890005.db2.gz NPXSOKUOFLXVSL-GOSISDBHSA-N 0 1 394.523 3.012 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820562768 1449904196 /nfs/dbraw/zinc/90/41/96/1449904196.db2.gz ISTBISBLPCHKFF-SUMNFNSASA-N 0 1 394.504 3.050 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562768 1449904200 /nfs/dbraw/zinc/90/42/00/1449904200.db2.gz ISTBISBLPCHKFF-SUMNFNSASA-N 0 1 394.504 3.050 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562768 1449904203 /nfs/dbraw/zinc/90/42/03/1449904203.db2.gz ISTBISBLPCHKFF-SUMNFNSASA-N 0 1 394.504 3.050 20 0 GGADMN C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824548641 1449920732 /nfs/dbraw/zinc/92/07/32/1449920732.db2.gz YNLHCHGJUYQPEA-LBPRGKRZSA-N 0 1 390.463 3.056 20 0 GGADMN CC(C)[NH+](CCSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000824293815 1449927533 /nfs/dbraw/zinc/92/75/33/1449927533.db2.gz YJDZPAPSKXEMLU-UHFFFAOYSA-N 0 1 396.948 3.311 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000824546490 1449937127 /nfs/dbraw/zinc/93/71/27/1449937127.db2.gz JLGNZDQUZFTSHY-XCLFUZPHSA-N 0 1 388.475 3.480 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824606583 1449943859 /nfs/dbraw/zinc/94/38/59/1449943859.db2.gz QGSLGRSXXNXLOH-ZDUSSCGKSA-N 0 1 377.477 3.279 20 0 GGADMN Cc1nn2c(C[N@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)c(C(C)C)nc2s1 ZINC000826334815 1449950282 /nfs/dbraw/zinc/95/02/82/1449950282.db2.gz KSXXJJDDIHUMEM-UHFFFAOYSA-N 0 1 382.497 3.035 20 0 GGADMN Cc1nn2c(C[N@@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)c(C(C)C)nc2s1 ZINC000826334815 1449950284 /nfs/dbraw/zinc/95/02/84/1449950284.db2.gz KSXXJJDDIHUMEM-UHFFFAOYSA-N 0 1 382.497 3.035 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825958534 1449950384 /nfs/dbraw/zinc/95/03/84/1449950384.db2.gz ZRTLQGBTFYWARE-JWTNVVGKSA-N 0 1 398.511 3.229 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825958534 1449950387 /nfs/dbraw/zinc/95/03/87/1449950387.db2.gz ZRTLQGBTFYWARE-JWTNVVGKSA-N 0 1 398.511 3.229 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825958534 1449950390 /nfs/dbraw/zinc/95/03/90/1449950390.db2.gz ZRTLQGBTFYWARE-JWTNVVGKSA-N 0 1 398.511 3.229 20 0 GGADMN COCCSc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826162978 1449953014 /nfs/dbraw/zinc/95/30/14/1449953014.db2.gz BCNBOWVVLVJTTK-HNNXBMFYSA-N 0 1 399.520 3.335 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000735561212 1449968936 /nfs/dbraw/zinc/96/89/36/1449968936.db2.gz JMNHPRVYSQQVGJ-OPAMFIHVSA-N 0 1 390.491 3.247 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2CCOc2ccccc2-c2nnn[n-]2)c1 ZINC000736780343 1449971438 /nfs/dbraw/zinc/97/14/38/1449971438.db2.gz PYDDFTFEQCORPA-LJQANCHMSA-N 0 1 378.480 3.149 20 0 GGADMN FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC000826368926 1449973497 /nfs/dbraw/zinc/97/34/97/1449973497.db2.gz GHDYPKZEFHEYBS-LLVKDONJSA-N 0 1 395.414 3.117 20 0 GGADMN FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC000826368926 1449973500 /nfs/dbraw/zinc/97/35/00/1449973500.db2.gz GHDYPKZEFHEYBS-LLVKDONJSA-N 0 1 395.414 3.117 20 0 GGADMN FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC000826368926 1449973502 /nfs/dbraw/zinc/97/35/02/1449973502.db2.gz GHDYPKZEFHEYBS-LLVKDONJSA-N 0 1 395.414 3.117 20 0 GGADMN CC[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cc(F)ccc1F ZINC000820926668 1449980676 /nfs/dbraw/zinc/98/06/76/1449980676.db2.gz UWOPUUKIKQXISL-SFHVURJKSA-N 0 1 399.449 3.250 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC000824952806 1450011822 /nfs/dbraw/zinc/01/18/22/1450011822.db2.gz BDYLFILQPFQWTR-AWEZNQCLSA-N 0 1 376.455 3.093 20 0 GGADMN CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819914058 1450016896 /nfs/dbraw/zinc/01/68/96/1450016896.db2.gz IWVGDELPJBFMNM-GOSISDBHSA-N 0 1 399.470 3.046 20 0 GGADMN CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000819914058 1450016900 /nfs/dbraw/zinc/01/69/00/1450016900.db2.gz IWVGDELPJBFMNM-GOSISDBHSA-N 0 1 399.470 3.046 20 0 GGADMN CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000819914058 1450016904 /nfs/dbraw/zinc/01/69/04/1450016904.db2.gz IWVGDELPJBFMNM-GOSISDBHSA-N 0 1 399.470 3.046 20 0 GGADMN C[C@H]([NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554065 1450028467 /nfs/dbraw/zinc/02/84/67/1450028467.db2.gz MHAKANKMCQDXIK-JSGCOSHPSA-N 0 1 383.475 3.165 20 0 GGADMN CCC(CC)[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)OC ZINC000825096775 1450040383 /nfs/dbraw/zinc/04/03/83/1450040383.db2.gz QWXOFWBBHHGSOJ-LJQANCHMSA-N 0 1 397.527 3.198 20 0 GGADMN CC[C@@H]1[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001139090501 1450045964 /nfs/dbraw/zinc/04/59/64/1450045964.db2.gz IQVHHXYHDXTUNL-UGKGYDQZSA-N 0 1 394.523 3.012 20 0 GGADMN Cc1cc(C)cc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264315 1450048714 /nfs/dbraw/zinc/04/87/14/1450048714.db2.gz JOUNWHZHPKCMSZ-UHFFFAOYSA-N 0 1 387.491 3.216 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000824261279 1450050733 /nfs/dbraw/zinc/05/07/33/1450050733.db2.gz HGOYRAFNBWKSJX-LBPRGKRZSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000824261279 1450050738 /nfs/dbraw/zinc/05/07/38/1450050738.db2.gz HGOYRAFNBWKSJX-LBPRGKRZSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000824261279 1450050742 /nfs/dbraw/zinc/05/07/42/1450050742.db2.gz HGOYRAFNBWKSJX-LBPRGKRZSA-N 0 1 379.306 3.019 20 0 GGADMN c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823802157 1450055925 /nfs/dbraw/zinc/05/59/25/1450055925.db2.gz HXIVCCLPVKONGS-KRWDZBQOSA-N 0 1 393.520 3.057 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C[C@@H](C)O1 ZINC000820758803 1450066016 /nfs/dbraw/zinc/06/60/16/1450066016.db2.gz DELFJGYFIDACMV-HZPDHXFCSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824537392 1450075871 /nfs/dbraw/zinc/07/58/71/1450075871.db2.gz DUYMDEZNEFTJLW-AUUYWEPGSA-N 0 1 377.427 3.294 20 0 GGADMN c1[nH]c2ncccc2c1C1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000738445346 1450083364 /nfs/dbraw/zinc/08/33/64/1450083364.db2.gz HRAQGGAZLBYKLP-UHFFFAOYSA-N 0 1 398.474 3.375 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000821651857 1450086306 /nfs/dbraw/zinc/08/63/06/1450086306.db2.gz HMQDCALRKACZIF-SYNHAJSKSA-N 0 1 391.475 3.034 20 0 GGADMN CC[NH+](CC)CCCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000825412871 1450122694 /nfs/dbraw/zinc/12/26/94/1450122694.db2.gz VZVBVPIVBIILPL-UHFFFAOYSA-N 0 1 377.924 3.254 20 0 GGADMN Fc1c(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cccc1-c1nnn[n-]1 ZINC000826371025 1450123375 /nfs/dbraw/zinc/12/33/75/1450123375.db2.gz PPFMSRONKDREDU-OAHLLOKOSA-N 0 1 377.427 3.020 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554067 1450134057 /nfs/dbraw/zinc/13/40/57/1450134057.db2.gz MHAKANKMCQDXIK-TZMCWYRMSA-N 0 1 383.475 3.165 20 0 GGADMN CC(C)C[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824261755 1450140130 /nfs/dbraw/zinc/14/01/30/1450140130.db2.gz PVEJXYABAQEPAZ-UHFFFAOYSA-N 0 1 379.306 3.162 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@H]1CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683022 1450143429 /nfs/dbraw/zinc/14/34/29/1450143429.db2.gz XPKLOXPJRGVQNW-NHCUHLMSSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@H]1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683022 1450143431 /nfs/dbraw/zinc/14/34/31/1450143431.db2.gz XPKLOXPJRGVQNW-NHCUHLMSSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@H]1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683022 1450143434 /nfs/dbraw/zinc/14/34/34/1450143434.db2.gz XPKLOXPJRGVQNW-NHCUHLMSSA-N 0 1 377.492 3.387 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000822192898 1450149582 /nfs/dbraw/zinc/14/95/82/1450149582.db2.gz DZRIDYHGWMRUIW-YOEHRIQHSA-N 0 1 383.525 3.435 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000822192898 1450149587 /nfs/dbraw/zinc/14/95/87/1450149587.db2.gz DZRIDYHGWMRUIW-YOEHRIQHSA-N 0 1 383.525 3.435 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000822192898 1450149593 /nfs/dbraw/zinc/14/95/93/1450149593.db2.gz DZRIDYHGWMRUIW-YOEHRIQHSA-N 0 1 383.525 3.435 20 0 GGADMN C[N@H+](Cc1ccc(Br)s1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825966315 1450163228 /nfs/dbraw/zinc/16/32/28/1450163228.db2.gz XPLOMJYDIAQZLJ-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN C[N@@H+](Cc1ccc(Br)s1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825966315 1450163233 /nfs/dbraw/zinc/16/32/33/1450163233.db2.gz XPLOMJYDIAQZLJ-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN COC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000826144504 1450170836 /nfs/dbraw/zinc/17/08/36/1450170836.db2.gz LMLFZPXBZYIALT-UHFFFAOYSA-N 0 1 379.464 3.104 20 0 GGADMN CC(C)C[N@@H+](CCOc1ccccc1-c1nnn[n-]1)C[C@H](O)c1ccc(F)cc1 ZINC000735827969 1450180348 /nfs/dbraw/zinc/18/03/48/1450180348.db2.gz VPGIAPBQSJACGG-IBGZPJMESA-N 0 1 399.470 3.076 20 0 GGADMN CC(C)C[N@H+](CCOc1ccccc1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1 ZINC000735827969 1450180350 /nfs/dbraw/zinc/18/03/50/1450180350.db2.gz VPGIAPBQSJACGG-IBGZPJMESA-N 0 1 399.470 3.076 20 0 GGADMN CC(C)C[N@@H+](CCOc1ccccc1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1 ZINC000735827969 1450180354 /nfs/dbraw/zinc/18/03/54/1450180354.db2.gz VPGIAPBQSJACGG-IBGZPJMESA-N 0 1 399.470 3.076 20 0 GGADMN CC[C@H](C)n1nc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000825081119 1450182159 /nfs/dbraw/zinc/18/21/59/1450182159.db2.gz GKARIRYHRMGGOL-HNNXBMFYSA-N 0 1 394.527 3.419 20 0 GGADMN c1ccc(-c2ccc(CN3CCN(c4cc[nH+]cc4)CC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823767418 1450210663 /nfs/dbraw/zinc/21/06/63/1450210663.db2.gz QTZJFENMUJBEIK-UHFFFAOYSA-N 0 1 397.486 3.251 20 0 GGADMN c1ccc(-c2ccc(CN3CCN(c4cc[nH+]cc4)CC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823767418 1450210667 /nfs/dbraw/zinc/21/06/67/1450210667.db2.gz QTZJFENMUJBEIK-UHFFFAOYSA-N 0 1 397.486 3.251 20 0 GGADMN C[C@H]1c2ccccc2C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820827041 1450214683 /nfs/dbraw/zinc/21/46/83/1450214683.db2.gz QDYSMVBIXBLWMA-LBPRGKRZSA-N 0 1 394.504 3.322 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736413481 1450215314 /nfs/dbraw/zinc/21/53/14/1450215314.db2.gz YYRWVCGAVULNDE-IBGZPJMESA-N 0 1 376.464 3.205 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000736227387 1450226403 /nfs/dbraw/zinc/22/64/03/1450226403.db2.gz CYCAYVLHIMETAM-HXUWFJFHSA-N 0 1 396.520 3.311 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000736227387 1450226408 /nfs/dbraw/zinc/22/64/08/1450226408.db2.gz CYCAYVLHIMETAM-HXUWFJFHSA-N 0 1 396.520 3.311 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000736227387 1450226410 /nfs/dbraw/zinc/22/64/10/1450226410.db2.gz CYCAYVLHIMETAM-HXUWFJFHSA-N 0 1 396.520 3.311 20 0 GGADMN COc1ccccc1[C@@H](C[NH2+]Cc1cc(-c2nn[n-]n2)cs1)N1CCCCC1 ZINC000821882524 1450228084 /nfs/dbraw/zinc/22/80/84/1450228084.db2.gz DAANFSRAUGEVSS-GOSISDBHSA-N 0 1 398.536 3.254 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccsc1 ZINC000821180483 1450231718 /nfs/dbraw/zinc/23/17/18/1450231718.db2.gz DBQIPLQFAYTZIM-SFHVURJKSA-N 0 1 393.520 3.393 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737419039 1450241731 /nfs/dbraw/zinc/24/17/31/1450241731.db2.gz BEMMOFGCKCDVOQ-HUUCEWRRSA-N 0 1 396.520 3.443 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737419039 1450241734 /nfs/dbraw/zinc/24/17/34/1450241734.db2.gz BEMMOFGCKCDVOQ-HUUCEWRRSA-N 0 1 396.520 3.443 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737419039 1450241746 /nfs/dbraw/zinc/24/17/46/1450241746.db2.gz BEMMOFGCKCDVOQ-HUUCEWRRSA-N 0 1 396.520 3.443 20 0 GGADMN c1ccc([C@H]2C[C@@H]2C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826520840 1450256096 /nfs/dbraw/zinc/25/60/96/1450256096.db2.gz SLCRMWLNLMXXHI-YNIZLOQISA-N 0 1 390.491 3.345 20 0 GGADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736697747 1450261683 /nfs/dbraw/zinc/26/16/83/1450261683.db2.gz AYXLZUQUHRAJER-CYBMUJFWSA-N 0 1 399.524 3.216 20 0 GGADMN C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736267297 1450275609 /nfs/dbraw/zinc/27/56/09/1450275609.db2.gz RVAHXJNTIQCPRG-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736267297 1450275611 /nfs/dbraw/zinc/27/56/11/1450275611.db2.gz RVAHXJNTIQCPRG-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736267297 1450275616 /nfs/dbraw/zinc/27/56/16/1450275616.db2.gz RVAHXJNTIQCPRG-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN CC[NH+](CC)CCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821189600 1450277913 /nfs/dbraw/zinc/27/79/13/1450277913.db2.gz PZFYPYBXBWBPLD-UHFFFAOYSA-N 0 1 384.459 3.339 20 0 GGADMN CN(Cc1ccc(-c2nnn[n-]2)s1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825961641 1450302418 /nfs/dbraw/zinc/30/24/18/1450302418.db2.gz KIWFLQANEPZHMC-QGZVFWFLSA-N 0 1 383.456 3.022 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000825961641 1450302419 /nfs/dbraw/zinc/30/24/19/1450302419.db2.gz KIWFLQANEPZHMC-QGZVFWFLSA-N 0 1 383.456 3.022 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000825961641 1450302423 /nfs/dbraw/zinc/30/24/23/1450302423.db2.gz KIWFLQANEPZHMC-QGZVFWFLSA-N 0 1 383.456 3.022 20 0 GGADMN COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826161123 1450309145 /nfs/dbraw/zinc/30/91/45/1450309145.db2.gz UVXYXBQHTRGLKV-CQSZACIVSA-N 0 1 385.443 3.190 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824529860 1450329684 /nfs/dbraw/zinc/32/96/84/1450329684.db2.gz IFYCOVHGWZNNGS-CYBMUJFWSA-N 0 1 398.898 3.379 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000736267945 1450331020 /nfs/dbraw/zinc/33/10/20/1450331020.db2.gz QWWXKPHMMRTKLO-QZTJIDSGSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000736267945 1450331024 /nfs/dbraw/zinc/33/10/24/1450331024.db2.gz QWWXKPHMMRTKLO-QZTJIDSGSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000736267945 1450331029 /nfs/dbraw/zinc/33/10/29/1450331029.db2.gz QWWXKPHMMRTKLO-QZTJIDSGSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820293763 1450348169 /nfs/dbraw/zinc/34/81/69/1450348169.db2.gz NBIJHRRELPYETH-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN CCC[N@H+](Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C[C@H]1CCCCO1 ZINC000825314015 1450351836 /nfs/dbraw/zinc/35/18/36/1450351836.db2.gz WDGSHYRVKDWKPC-GOSISDBHSA-N 0 1 395.511 3.142 20 0 GGADMN CCC[N@@H+](Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C[C@H]1CCCCO1 ZINC000825314015 1450351840 /nfs/dbraw/zinc/35/18/40/1450351840.db2.gz WDGSHYRVKDWKPC-GOSISDBHSA-N 0 1 395.511 3.142 20 0 GGADMN CCC[N@H+](Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C[C@H]1CCCCO1 ZINC000825314015 1450351845 /nfs/dbraw/zinc/35/18/45/1450351845.db2.gz WDGSHYRVKDWKPC-GOSISDBHSA-N 0 1 395.511 3.142 20 0 GGADMN c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826518202 1450352589 /nfs/dbraw/zinc/35/25/89/1450352589.db2.gz FIOCXAGSKAZVIR-IBGZPJMESA-N 0 1 378.480 3.091 20 0 GGADMN Cc1noc([C@@H]2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc43)C2)n1 ZINC000826263856 1450362972 /nfs/dbraw/zinc/36/29/72/1450362972.db2.gz SSFMOSMSVLGMNY-CQSZACIVSA-N 0 1 390.451 3.107 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824261284 1450365515 /nfs/dbraw/zinc/36/55/15/1450365515.db2.gz HJNCBSFHKGIQBG-LBPRGKRZSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824261284 1450365516 /nfs/dbraw/zinc/36/55/16/1450365516.db2.gz HJNCBSFHKGIQBG-LBPRGKRZSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824261284 1450365520 /nfs/dbraw/zinc/36/55/20/1450365520.db2.gz HJNCBSFHKGIQBG-LBPRGKRZSA-N 0 1 379.306 3.019 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)c(F)c3)cc2)CC1 ZINC000825466342 1450378622 /nfs/dbraw/zinc/37/86/22/1450378622.db2.gz ZSXHHUHUGOTOOZ-HNNXBMFYSA-N 0 1 395.486 3.321 20 0 GGADMN c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccc(-c4nnn[n-]4)c2)C3)cc1 ZINC001139852238 1450384135 /nfs/dbraw/zinc/38/41/35/1450384135.db2.gz XVJSKMUYOFQQEG-RBBKRZOGSA-N 0 1 375.476 3.405 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825067957 1450386958 /nfs/dbraw/zinc/38/69/58/1450386958.db2.gz OEGQEOJALVLXIK-KGLIPLIRSA-N 0 1 396.470 3.385 20 0 GGADMN C[C@H]([NH2+]C1(CNc2ccc(-c3nn[n-]n3)cc2F)CCOCC1)c1ccccc1 ZINC000820411285 1450388059 /nfs/dbraw/zinc/38/80/59/1450388059.db2.gz IAUZQKGANSWECD-HNNXBMFYSA-N 0 1 396.470 3.318 20 0 GGADMN Brc1cccc(CCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819689033 1450395445 /nfs/dbraw/zinc/39/54/45/1450395445.db2.gz STKCKUZEYZTOEK-UHFFFAOYSA-N 0 1 378.299 3.413 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825923456 1450415267 /nfs/dbraw/zinc/41/52/67/1450415267.db2.gz IKIYAWXESILZSK-UHFFFAOYSA-N 0 1 381.415 3.054 20 0 GGADMN Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826330625 1450434834 /nfs/dbraw/zinc/43/48/34/1450434834.db2.gz BEULXYJQYKPRTE-CYBMUJFWSA-N 0 1 377.427 3.351 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820914863 1450439492 /nfs/dbraw/zinc/43/94/92/1450439492.db2.gz QSHWHWPREYZCCA-SFHVURJKSA-N 0 1 392.507 3.457 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820914863 1450439493 /nfs/dbraw/zinc/43/94/93/1450439493.db2.gz QSHWHWPREYZCCA-SFHVURJKSA-N 0 1 392.507 3.457 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820914863 1450439496 /nfs/dbraw/zinc/43/94/96/1450439496.db2.gz QSHWHWPREYZCCA-SFHVURJKSA-N 0 1 392.507 3.457 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823675747 1450445389 /nfs/dbraw/zinc/44/53/89/1450445389.db2.gz ZCDKYYCSJFPYOY-WMZOPIPTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823675747 1450445392 /nfs/dbraw/zinc/44/53/92/1450445392.db2.gz ZCDKYYCSJFPYOY-WMZOPIPTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823675747 1450445395 /nfs/dbraw/zinc/44/53/95/1450445395.db2.gz ZCDKYYCSJFPYOY-WMZOPIPTSA-N 0 1 385.443 3.467 20 0 GGADMN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736331528 1450446953 /nfs/dbraw/zinc/44/69/53/1450446953.db2.gz QHHQHJWZBYWSCN-KSFYIVLOSA-N 0 1 395.507 3.332 20 0 GGADMN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824406868 1450448288 /nfs/dbraw/zinc/44/82/88/1450448288.db2.gz SABXACXYNNDQCS-OLZOCXBDSA-N 0 1 383.427 3.406 20 0 GGADMN O[C@@H](C[NH+]1CCC(CCc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675105 1450458010 /nfs/dbraw/zinc/45/80/10/1450458010.db2.gz USAODDZZNMJILZ-NRFANRHFSA-N 0 1 377.492 3.245 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@H](O)c3cccc(Cl)c3)c2c1 ZINC000822195445 1450465321 /nfs/dbraw/zinc/46/53/21/1450465321.db2.gz RTVQVCIFPMBVNA-KRWDZBQOSA-N 0 1 394.866 3.253 20 0 GGADMN CC[N@@H+](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000736512411 1450482465 /nfs/dbraw/zinc/48/24/65/1450482465.db2.gz ZGANPBAKLUGRBQ-UHFFFAOYSA-N 0 1 387.532 3.459 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821596414 1450505845 /nfs/dbraw/zinc/50/58/45/1450505845.db2.gz JDJSURGMTDDMAY-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821596414 1450505848 /nfs/dbraw/zinc/50/58/48/1450505848.db2.gz JDJSURGMTDDMAY-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821596414 1450505851 /nfs/dbraw/zinc/50/58/51/1450505851.db2.gz JDJSURGMTDDMAY-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN Fc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)c(Cl)c1 ZINC000826374187 1450506048 /nfs/dbraw/zinc/50/60/48/1450506048.db2.gz OSTHZLZCBJCXSK-UHFFFAOYSA-N 0 1 397.845 3.128 20 0 GGADMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164634947 719166825 /nfs/dbraw/zinc/16/68/25/719166825.db2.gz KKNBWIWYCNJTIA-JKSUJKDBSA-N 0 1 385.943 3.217 20 0 GGADMN C[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@H](C)CN1C ZINC001164634945 719166888 /nfs/dbraw/zinc/16/68/88/719166888.db2.gz KKNBWIWYCNJTIA-HZPDHXFCSA-N 0 1 385.943 3.217 20 0 GGADMN C[C@H]1CN(c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)[C@@H](C)CN1C ZINC001164640994 719218096 /nfs/dbraw/zinc/21/80/96/719218096.db2.gz ULMGOPHZQHIGGN-RYUDHWBXSA-N 0 1 396.919 3.394 20 0 GGADMN CC(C)CN1CCN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001164663584 719340697 /nfs/dbraw/zinc/34/06/97/719340697.db2.gz YLFCLCAXZOBDEE-UHFFFAOYSA-N 0 1 375.876 3.149 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@@H]21 ZINC001164668816 719392253 /nfs/dbraw/zinc/39/22/53/719392253.db2.gz SDKZLZHBDYLYOG-OALUTQOASA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@H]21 ZINC001164671921 719402005 /nfs/dbraw/zinc/40/20/05/719402005.db2.gz ZXEDDTSXNMSJRO-MOPGFXCFSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@@H]21 ZINC001164670579 719435805 /nfs/dbraw/zinc/43/58/05/719435805.db2.gz ORSSCYVSZCINTR-RBUKOAKNSA-N 0 1 380.879 3.469 20 0 GGADMN COc1ccc2c(c1)nc(N1C[C@H]3OCCN(C)[C@@H]3C1)cc2-c1ccccc1 ZINC001164667089 719442236 /nfs/dbraw/zinc/44/22/36/719442236.db2.gz FJGUZVKDPWTBRS-FGZHOGPDSA-N 0 1 375.472 3.430 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164673780 719443288 /nfs/dbraw/zinc/44/32/88/719443288.db2.gz ULMKGKGLIVVOAY-KGLIPLIRSA-N 0 1 398.557 3.428 20 0 GGADMN CN1CCO[C@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)C[C@@H]21 ZINC001164666253 719469244 /nfs/dbraw/zinc/46/92/44/719469244.db2.gz CNLJZHCCPULMIO-VXKWHMMOSA-N 0 1 388.471 3.455 20 0 GGADMN CN1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3Cl)C[C@H]21 ZINC001164666894 719479927 /nfs/dbraw/zinc/47/99/27/719479927.db2.gz HBWHZRTUADSNDR-UKRRQHHQSA-N 0 1 381.263 3.095 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@H]21 ZINC001164678119 719546459 /nfs/dbraw/zinc/54/64/59/719546459.db2.gz JFHNHESJNRSGKC-OIISXLGYSA-N 0 1 377.916 3.072 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@H]21 ZINC001164678119 719546467 /nfs/dbraw/zinc/54/64/67/719546467.db2.gz JFHNHESJNRSGKC-OIISXLGYSA-N 0 1 377.916 3.072 20 0 GGADMN CCN(C)c1ccnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164693980 719803427 /nfs/dbraw/zinc/80/34/27/719803427.db2.gz WINFISSPFAHPKG-UHFFFAOYSA-N 0 1 386.569 3.333 20 0 GGADMN COC(=O)c1cccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164690901 719804276 /nfs/dbraw/zinc/80/42/76/719804276.db2.gz CEIOMGPLPSUDPN-UHFFFAOYSA-N 0 1 386.521 3.268 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2nccc4c2ncn4C)CC3)cs1 ZINC001164694340 719805192 /nfs/dbraw/zinc/80/51/92/719805192.db2.gz XLKKCSIISMFDEZ-UHFFFAOYSA-N 0 1 382.537 3.368 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2cccc(Cl)[n+]2[O-])CC3)cs1 ZINC001164694437 719807491 /nfs/dbraw/zinc/80/74/91/719807491.db2.gz XRMOTUBCSJRUJS-UHFFFAOYSA-N 0 1 378.929 3.373 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2cnc4cccnc4n2)CC3)cs1 ZINC001164694425 719808111 /nfs/dbraw/zinc/80/81/11/719808111.db2.gz XLKYLJBGDAHJQC-UHFFFAOYSA-N 0 1 380.521 3.425 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2cncc(-n4ccnc4)n2)CC3)cs1 ZINC001164691530 719810870 /nfs/dbraw/zinc/81/08/70/719810870.db2.gz GEUNZOVRKLFNGR-UHFFFAOYSA-N 0 1 395.536 3.062 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2cncc(N4CCCC4)n2)CC3)cs1 ZINC001164691244 719812030 /nfs/dbraw/zinc/81/20/30/719812030.db2.gz BVNSAAKTRSOJQR-UHFFFAOYSA-N 0 1 398.580 3.477 20 0 GGADMN Cc1cc2c(ncnc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)[nH]1 ZINC001164696143 719889669 /nfs/dbraw/zinc/88/96/69/719889669.db2.gz ZHKPYHNKUYHBGM-UHFFFAOYSA-N 0 1 383.521 3.199 20 0 GGADMN CC(C)Oc1cncc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164706960 719898481 /nfs/dbraw/zinc/89/84/81/719898481.db2.gz MDRKSGLGQNRIQV-UHFFFAOYSA-N 0 1 388.537 3.197 20 0 GGADMN CCO[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164715097 720059300 /nfs/dbraw/zinc/05/93/00/720059300.db2.gz RRDFRKUMDRQJHZ-AKFKNWHVSA-N 0 1 393.531 3.413 20 0 GGADMN CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ncn1 ZINC001164727305 720350843 /nfs/dbraw/zinc/35/08/43/720350843.db2.gz STBCSQRENWLFGV-IAGOWNOFSA-N 0 1 396.495 3.072 20 0 GGADMN c1ccc(COc2cncc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725570 720351056 /nfs/dbraw/zinc/35/10/56/720351056.db2.gz NTSJIRBYAWOYLL-LEWJYISDSA-N 0 1 387.487 3.304 20 0 GGADMN c1ccc(COc2cncc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725571 720351971 /nfs/dbraw/zinc/35/19/71/720351971.db2.gz NTSJIRBYAWOYLL-NHCUHLMSSA-N 0 1 387.487 3.304 20 0 GGADMN Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722945 720365680 /nfs/dbraw/zinc/36/56/80/720365680.db2.gz DVKBTZBQHPMQEI-MSOLQXFVSA-N 0 1 392.894 3.440 20 0 GGADMN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728579 720421298 /nfs/dbraw/zinc/42/12/98/720421298.db2.gz FSRCADSLIYYHEL-CHWSQXEVSA-N 0 1 397.882 3.212 20 0 GGADMN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2cncc(OCC3CCCC3)n2)c1 ZINC001164730270 720475419 /nfs/dbraw/zinc/47/54/19/720475419.db2.gz UBRAYIVVNMMQOE-PMACEKPBSA-N 0 1 379.508 3.294 20 0 GGADMN FC(F)(Oc1cccc(Cl)n1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164732698 720557664 /nfs/dbraw/zinc/55/76/64/720557664.db2.gz DREGFQJSVXTSFS-UHFFFAOYSA-N 0 1 397.857 3.015 20 0 GGADMN Clc1cc2ccnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2cn1 ZINC001164734308 720558617 /nfs/dbraw/zinc/55/86/17/720558617.db2.gz YWAHMZRCNPIDIZ-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Cc1cccc2c1nc(Cl)nc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164733763 720558981 /nfs/dbraw/zinc/55/89/81/720558981.db2.gz RUPMRSNCIXVZKJ-UHFFFAOYSA-N 0 1 396.926 3.447 20 0 GGADMN Clc1ccc2c(c1)ncnc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164734177 720559615 /nfs/dbraw/zinc/55/96/15/720559615.db2.gz XNONLYSRFQFFSZ-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Cc1cc(Cl)nc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)c1 ZINC001164727141 720569913 /nfs/dbraw/zinc/56/99/13/720569913.db2.gz BLTBWEAXSCYXNX-UHFFFAOYSA-N 0 1 395.885 3.443 20 0 GGADMN Cc1c[nH]c2nc(Cl)cc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164736707 720578426 /nfs/dbraw/zinc/57/84/26/720578426.db2.gz RFHYBXCHJGZVLK-UHFFFAOYSA-N 0 1 384.915 3.380 20 0 GGADMN Cc1csc2nc(C)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164736739 720588210 /nfs/dbraw/zinc/58/82/10/720588210.db2.gz SCBILEGAPLVQEI-UHFFFAOYSA-N 0 1 382.537 3.163 20 0 GGADMN COC(=O)c1c(Cl)ccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164856836 720930196 /nfs/dbraw/zinc/93/01/96/720930196.db2.gz LBHZODUTYWJJIH-CYBMUJFWSA-N 0 1 391.903 3.140 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cn1)[C@@H]2C ZINC001164861725 720930832 /nfs/dbraw/zinc/93/08/32/720930832.db2.gz ULHGRCKJXCUIMS-GFCCVEGCSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nccc(Cl)n1)[C@H]2C ZINC001164859915 720931637 /nfs/dbraw/zinc/93/16/37/720931637.db2.gz QLAJEEMZIPUCAQ-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN CCOC(=O)c1cc(F)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859353 720934563 /nfs/dbraw/zinc/93/45/63/720934563.db2.gz MXESOHYGLKMDNC-CQSZACIVSA-N 0 1 389.475 3.015 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3nc(Cl)ccc31)[C@H]2C ZINC001164858567 720934649 /nfs/dbraw/zinc/93/46/49/720934649.db2.gz JEXXVJCOCVMBKT-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cnccc31)[C@H]2C ZINC001164859874 720945226 /nfs/dbraw/zinc/94/52/26/720945226.db2.gz OCDJEHBLHWYRKK-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1SCC3)[C@H]2C ZINC001164857692 720947917 /nfs/dbraw/zinc/94/79/17/720947917.db2.gz GZDVWJCNDJHLRJ-LBPRGKRZSA-N 0 1 392.960 3.396 20 0 GGADMN COC(=O)c1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)ccc1Cl ZINC001164860684 720959174 /nfs/dbraw/zinc/95/91/74/720959174.db2.gz RDBQVLUBTZBBJH-CYBMUJFWSA-N 0 1 391.903 3.140 20 0 GGADMN COc1c(Cl)nc(C)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164863393 720960401 /nfs/dbraw/zinc/96/04/01/720960401.db2.gz ZRBJOBIRRPDUJJ-GFCCVEGCSA-N 0 1 378.908 3.065 20 0 GGADMN COc1ccc2ncc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc2c1 ZINC001164861651 720962066 /nfs/dbraw/zinc/96/20/66/720962066.db2.gz TWMXKOFAHHTVHB-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnnc(Cl)c1)[C@H]2C ZINC001164858455 720962154 /nfs/dbraw/zinc/96/21/54/720962154.db2.gz IWOYIAQEHUULQR-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@H](F)Oc1ccc(Cl)nc1)[C@@H]2C ZINC001164860057 720962185 /nfs/dbraw/zinc/96/21/85/720962185.db2.gz PNTDQXXKHPYXGC-ACJLOTCBSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1ccc(Cl)nc1)[C@H]2C ZINC001164860062 720962311 /nfs/dbraw/zinc/96/23/11/720962311.db2.gz PNTDQXXKHPYXGC-SCLBCKFNSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(Cl)c3cccnc31)[C@@H]2C ZINC001164861884 720963317 /nfs/dbraw/zinc/96/33/17/720963317.db2.gz URWIHDFFZBODQD-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(N)cc(Cl)n1)[C@@H]2C ZINC001164864163 720972861 /nfs/dbraw/zinc/97/28/61/720972861.db2.gz YNWLHOGGIVKXAP-GFCCVEGCSA-N 0 1 398.889 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(N)cc(Cl)n1)[C@H]2C ZINC001164864164 720973364 /nfs/dbraw/zinc/97/33/64/720973364.db2.gz YNWLHOGGIVKXAP-LBPRGKRZSA-N 0 1 398.889 3.480 20 0 GGADMN C=Cc1nc(Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1OC ZINC001164861207 720995234 /nfs/dbraw/zinc/99/52/34/720995234.db2.gz PTIVQQAYOMEZLG-ZDUSSCGKSA-N 0 1 390.919 3.400 20 0 GGADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc(-c2ccccn2)n1 ZINC001164859722 720999961 /nfs/dbraw/zinc/99/99/61/720999961.db2.gz LUHSVXHQSXHLLP-KRWDZBQOSA-N 0 1 391.523 3.465 20 0 GGADMN Cc1noc(-c2cccnc2N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164860437 721005468 /nfs/dbraw/zinc/00/54/68/721005468.db2.gz OBKJPDMYTHBPKD-CQSZACIVSA-N 0 1 381.484 3.058 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccncc3)ncn1)[C@@H]2C ZINC001164862475 721006526 /nfs/dbraw/zinc/00/65/26/721006526.db2.gz SQNWCAFPEKNUDH-MRXNPFEDSA-N 0 1 377.496 3.157 20 0 GGADMN Cc1noc(-c2ccnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2)n1 ZINC001164860561 721006957 /nfs/dbraw/zinc/00/69/57/721006957.db2.gz ORQFEEDEJRRYSZ-AWEZNQCLSA-N 0 1 381.484 3.058 20 0 GGADMN Cc1noc(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc2)n1 ZINC001164860374 721006977 /nfs/dbraw/zinc/00/69/77/721006977.db2.gz NJOHJBWKNCBBLY-AWEZNQCLSA-N 0 1 381.484 3.058 20 0 GGADMN Cc1nc(-c2ccncc2)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164859478 721010982 /nfs/dbraw/zinc/01/09/82/721010982.db2.gz INFUZQFIUBPOGX-INIZCTEOSA-N 0 1 391.523 3.465 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C3CC3)nc3[nH]ccc31)[C@H]2C ZINC001164864577 721017488 /nfs/dbraw/zinc/01/74/88/721017488.db2.gz YDRFWCSIOUOCAM-AWEZNQCLSA-N 0 1 379.512 3.453 20 0 GGADMN FC(F)(c1ccc(Cl)nc1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866849 721039130 /nfs/dbraw/zinc/03/91/30/721039130.db2.gz GHIMGDNMKCIXGA-SJORKVTESA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1ccc(Cl)nc1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866847 721039441 /nfs/dbraw/zinc/03/94/41/721039441.db2.gz GHIMGDNMKCIXGA-IAGOWNOFSA-N 0 1 394.853 3.155 20 0 GGADMN CN1CCN(c2cccc(N3CCC[C@@]4(C[C@H](c5ccccc5)CO4)C3)n2)CC1 ZINC001164764980 721060029 /nfs/dbraw/zinc/06/00/29/721060029.db2.gz BYWULGBPBRCHLF-XUZZJYLKSA-N 0 1 392.547 3.377 20 0 GGADMN Clc1nc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870503 721074756 /nfs/dbraw/zinc/07/47/56/721074756.db2.gz WCOOAOLHPUWBHT-IRXDYDNUSA-N 0 1 395.894 3.158 20 0 GGADMN CSc1cc(Cl)ncc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865605 721077046 /nfs/dbraw/zinc/07/70/46/721077046.db2.gz NKIJKGIGAJPTJV-JKSUJKDBSA-N 0 1 390.940 3.332 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4F)C[C@H]3C2)cn1 ZINC001164768236 721079219 /nfs/dbraw/zinc/07/92/19/721079219.db2.gz MOWGCPFPHAUJRM-UONOGXRCSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc(F)c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164767522 721085479 /nfs/dbraw/zinc/08/54/79/721085479.db2.gz MCWWBWOLUSTVRE-KGLIPLIRSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4nc(Cl)ccc4F)C[C@H]3C2)cn1 ZINC001164766469 721126403 /nfs/dbraw/zinc/12/64/03/721126403.db2.gz LOJIILPLWYQFEL-ZIAGYGMSSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4F)C[C@@H]3C2)cn1 ZINC001164762158 721127404 /nfs/dbraw/zinc/12/74/04/721127404.db2.gz CIKLQZXQTCJJHF-KGLIPLIRSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4F)C[C@H]3C2)cn1 ZINC001164762161 721128510 /nfs/dbraw/zinc/12/85/10/721128510.db2.gz CIKLQZXQTCJJHF-ZIAGYGMSSA-N 0 1 399.848 3.111 20 0 GGADMN Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772279 721136505 /nfs/dbraw/zinc/13/65/05/721136505.db2.gz VDXBQQJJOOTHJH-HOTGVXAUSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164765052 721141943 /nfs/dbraw/zinc/14/19/43/721141943.db2.gz ITELURUQAMWQKQ-HOTGVXAUSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164765046 721142540 /nfs/dbraw/zinc/14/25/40/721142540.db2.gz ITELURUQAMWQKQ-CVEARBPZSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1nc(C2CC2)nc(Cl)c1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878322 721154681 /nfs/dbraw/zinc/15/46/81/721154681.db2.gz PRSTZEUSQKZEOF-ZWKOTPCHSA-N 0 1 399.926 3.191 20 0 GGADMN Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768194 721159667 /nfs/dbraw/zinc/15/96/67/721159667.db2.gz NQPGAMNVPGWAHI-HOTGVXAUSA-N 0 1 395.885 3.280 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(c4ncc(F)c(-c5ccsc5)n4)C[C@@H]3C2)cn1 ZINC001164767123 721238262 /nfs/dbraw/zinc/23/82/62/721238262.db2.gz VTFRRHASNFJVRC-WBVHZDCISA-N 0 1 398.511 3.036 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(c4ncc(F)c(-c5ccsc5)n4)C[C@H]3C2)cn1 ZINC001164767119 721238747 /nfs/dbraw/zinc/23/87/47/721238747.db2.gz VTFRRHASNFJVRC-DOTOQJQBSA-N 0 1 398.511 3.036 20 0 GGADMN C=Cc1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164787139 721360497 /nfs/dbraw/zinc/36/04/97/721360497.db2.gz ZHZMNNCJGLSKRK-QFIPXVFZSA-N 0 1 382.508 3.448 20 0 GGADMN Cc1cccc2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc12 ZINC001164885006 721380337 /nfs/dbraw/zinc/38/03/37/721380337.db2.gz BMMMBKWDBJODRP-URXFXBBRSA-N 0 1 394.563 3.309 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccccc5n4)C3)O2)CC1 ZINC001164888586 721382058 /nfs/dbraw/zinc/38/20/58/721382058.db2.gz KFLJHNJVDAOLMN-OFNKIYASSA-N 0 1 380.536 3.000 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893613 721382678 /nfs/dbraw/zinc/38/26/78/721382678.db2.gz WCRASHFSXBSPJH-VQIMIIECSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4Cl)C3)O2)CC1 ZINC001164891419 721402125 /nfs/dbraw/zinc/40/21/25/721402125.db2.gz WAOFZFJCSNLWED-KXBFYZLASA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)ccnc4Cl)C3)O2)CC1 ZINC001164890075 721407941 /nfs/dbraw/zinc/40/79/41/721407941.db2.gz SCJSAYWCWSXCQR-DNVCBOLYSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(F)c5ccccc54)C3)O2)CC1 ZINC001164889787 721414784 /nfs/dbraw/zinc/41/47/84/721414784.db2.gz RMBLIRKLQRXUMI-JPYJTQIMSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(F)c5ccccc54)C3)O2)CC1 ZINC001164889784 721414943 /nfs/dbraw/zinc/41/49/43/721414943.db2.gz RMBLIRKLQRXUMI-FDDCHVKYSA-N 0 1 398.526 3.139 20 0 GGADMN Cc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1C ZINC001164889430 721416438 /nfs/dbraw/zinc/41/64/38/721416438.db2.gz QLLYRDIQLRYWIE-RXVVDRJESA-N 0 1 392.975 3.117 20 0 GGADMN Cc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1C ZINC001164889428 721416719 /nfs/dbraw/zinc/41/67/19/721416719.db2.gz QLLYRDIQLRYWIE-GHTZIAJQSA-N 0 1 392.975 3.117 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5c(F)cccc54)C3)O2)CC1 ZINC001164891067 721417240 /nfs/dbraw/zinc/41/72/40/721417240.db2.gz VBXSPBSRQFCTHL-MBSDFSHPSA-N 0 1 398.526 3.139 20 0 GGADMN Cc1cc(Cl)c(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164892561 721422581 /nfs/dbraw/zinc/42/25/81/721422581.db2.gz YTBWQQMSMCZFTP-RXVVDRJESA-N 0 1 392.975 3.117 20 0 GGADMN CCc1ncnc(Cl)c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897274 721516553 /nfs/dbraw/zinc/51/65/53/721516553.db2.gz FNYPRLBJSHAWKZ-ZBFHGGJFSA-N 0 1 376.863 3.173 20 0 GGADMN CSc1ncc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164898548 721518895 /nfs/dbraw/zinc/51/88/95/721518895.db2.gz IPMLJFCEWXISBS-DZGCQCFKSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1nc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164795955 721524800 /nfs/dbraw/zinc/52/48/00/721524800.db2.gz VJOZDXJKEZZKMU-SQNIBIBYSA-N 0 1 387.915 3.010 20 0 GGADMN Cc1nc(C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164910981 721528715 /nfs/dbraw/zinc/52/87/15/721528715.db2.gz UWPFQFKIFLDYQW-DOTOQJQBSA-N 0 1 376.863 3.228 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnnc(Cl)c4)CCN3C2)c1 ZINC001164903336 721535319 /nfs/dbraw/zinc/53/53/19/721535319.db2.gz CDEYSBDSHMMDJO-GDBMZVCRSA-N 0 1 398.816 3.156 20 0 GGADMN CCOc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912445 721538145 /nfs/dbraw/zinc/53/81/45/721538145.db2.gz ZUMXBEDAPOQOLS-HOCLYGCPSA-N 0 1 392.862 3.010 20 0 GGADMN Cc1cccc2c1ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804323 721539553 /nfs/dbraw/zinc/53/95/53/721539553.db2.gz JNEKTDSVSIKDMN-RZUBCFFCSA-N 0 1 389.503 3.201 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164811184 721541968 /nfs/dbraw/zinc/54/19/68/721541968.db2.gz ZGWAKOLCFPPDNJ-UZKOGDIHSA-N 0 1 398.938 3.487 20 0 GGADMN COc1cc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164808438 721545287 /nfs/dbraw/zinc/54/52/87/721545287.db2.gz SIALKBDGODQNOT-OXFYSEKESA-N 0 1 388.899 3.007 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCCC3)[C@H]2CCCO[C@H]12 ZINC001164811141 721547280 /nfs/dbraw/zinc/54/72/80/721547280.db2.gz YVGYBTPHVDQMLH-XJUOHMSHSA-N 0 1 378.520 3.224 20 0 GGADMN Cc1cccc2ncc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc12 ZINC001164805560 721548589 /nfs/dbraw/zinc/54/85/89/721548589.db2.gz MHOTWLLSLFTJJS-QTEQDKRBSA-N 0 1 389.503 3.201 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c(F)cccc32)[C@@H]2CCCO[C@H]12 ZINC001164806626 721549171 /nfs/dbraw/zinc/54/91/71/721549171.db2.gz PJIMBAKPGSMUCE-SBHAEUEKSA-N 0 1 393.466 3.032 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2F)[C@H]2CCCO[C@H]12 ZINC001164809008 721551132 /nfs/dbraw/zinc/55/11/32/721551132.db2.gz TXXMYFKMQLWFQA-WDYCEAGBSA-N 0 1 376.863 3.137 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2F)[C@H]2CCCO[C@@H]12 ZINC001164809005 721551157 /nfs/dbraw/zinc/55/11/57/721551157.db2.gz TXXMYFKMQLWFQA-KVSKMBFKSA-N 0 1 376.863 3.137 20 0 GGADMN Cc1cccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164803153 721557231 /nfs/dbraw/zinc/55/72/31/721557231.db2.gz JQDOLKOHIBLIGS-ONTIZHBOSA-N 0 1 389.503 3.201 20 0 GGADMN COc1ccnc(Cl)c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903508 721562022 /nfs/dbraw/zinc/56/20/22/721562022.db2.gz BRDRGBVGHHMKRL-HOCLYGCPSA-N 0 1 377.847 3.225 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2[nH]ccc21 ZINC001164801490 721566065 /nfs/dbraw/zinc/56/60/65/721566065.db2.gz GUENKQADSGPIED-DYXWJJEUSA-N 0 1 377.492 3.135 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2[nH]ccc21 ZINC001164801509 721566121 /nfs/dbraw/zinc/56/61/21/721566121.db2.gz GUENKQADSGPIED-ZJOUEHCJSA-N 0 1 377.492 3.135 20 0 GGADMN CCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C)n1 ZINC001164810455 721566230 /nfs/dbraw/zinc/56/62/30/721566230.db2.gz YJHVNJCNRRJSAQ-URVUXULASA-N 0 1 381.524 3.001 20 0 GGADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806372 721566440 /nfs/dbraw/zinc/56/64/40/721566440.db2.gz QIHSHMPLOYYPKV-GBESFXJTSA-N 0 1 388.899 3.007 20 0 GGADMN CCc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)nc1C ZINC001164904252 721567364 /nfs/dbraw/zinc/56/73/64/721567364.db2.gz DPNZAEHUELYQQA-RDJZCZTQSA-N 0 1 390.890 3.482 20 0 GGADMN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1Cl ZINC001164808800 721569539 /nfs/dbraw/zinc/56/95/39/721569539.db2.gz VQEXTJIAWACHMA-AOIWGVFYSA-N 0 1 388.899 3.007 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C(C)(C)C)n1 ZINC001164799297 721582135 /nfs/dbraw/zinc/58/21/35/721582135.db2.gz AQJSNYUXSUZSNM-ZJOUEHCJSA-N 0 1 395.551 3.346 20 0 GGADMN Cc1cc2c(ccnc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)o1 ZINC001164811513 721582440 /nfs/dbraw/zinc/58/24/40/721582440.db2.gz XXJXBPURPYTNFD-ZJOUEHCJSA-N 0 1 378.476 3.399 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C(C)(C)C)n1 ZINC001164799292 721582515 /nfs/dbraw/zinc/58/25/15/721582515.db2.gz AQJSNYUXSUZSNM-DYXWJJEUSA-N 0 1 395.551 3.346 20 0 GGADMN CCOc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164906959 721585589 /nfs/dbraw/zinc/58/55/89/721585589.db2.gz PMJSEOQXODPPIB-LJQANCHMSA-N 0 1 389.450 3.008 20 0 GGADMN Cc1cc2ccncc2nc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164802630 721586421 /nfs/dbraw/zinc/58/64/21/721586421.db2.gz HKJLJLGYFVOJGV-FSSWDIPSSA-N 0 1 389.503 3.201 20 0 GGADMN Cc1cc2ccncc2nc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164802627 721586504 /nfs/dbraw/zinc/58/65/04/721586504.db2.gz HKJLJLGYFVOJGV-FKBYEOEOSA-N 0 1 389.503 3.201 20 0 GGADMN CSCc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810906 721587483 /nfs/dbraw/zinc/58/74/83/721587483.db2.gz WQXVAPRKCUASBA-ZJOUEHCJSA-N 0 1 384.549 3.208 20 0 GGADMN FC1(F)CCN(c2ccc(Cl)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906940 721587568 /nfs/dbraw/zinc/58/75/68/721587568.db2.gz PHSNBPDISLRFAN-QGZVFWFLSA-N 0 1 379.842 3.263 20 0 GGADMN Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1F ZINC001164907446 721701832 /nfs/dbraw/zinc/70/18/32/721701832.db2.gz SUJXCOOTVUQPGG-SFHVURJKSA-N 0 1 377.414 3.057 20 0 GGADMN [O-][n+]1cc(Cl)ccc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907748 721720316 /nfs/dbraw/zinc/72/03/16/721720316.db2.gz TXALTMNWPMCJQF-SFHVURJKSA-N 0 1 394.853 3.106 20 0 GGADMN CCOc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164912122 721724446 /nfs/dbraw/zinc/72/44/46/721724446.db2.gz LXIXZPBVJKVZDL-IBGZPJMESA-N 0 1 389.450 3.008 20 0 GGADMN Cc1nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c(Cl)cc1Cl ZINC001165009579 721743430 /nfs/dbraw/zinc/74/34/30/721743430.db2.gz GHNMLRKLSLGWEP-UHFFFAOYSA-N 0 1 385.339 3.220 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001165024933 721785767 /nfs/dbraw/zinc/78/57/67/721785767.db2.gz ZDNUBPQXUGZPFC-HXUWFJFHSA-N 0 1 385.899 3.279 20 0 GGADMN COc1ccc2c(ccnc2N2CCC3(CC2)c2ncc(C)n2CCN3C)c1 ZINC001164917898 721813865 /nfs/dbraw/zinc/81/38/65/721813865.db2.gz PXCAIDJDGCKDQG-UHFFFAOYSA-N 0 1 377.492 3.189 20 0 GGADMN CN(c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1)C(C)(C)C ZINC001165023783 721834008 /nfs/dbraw/zinc/83/40/08/721834008.db2.gz UZEIVCMEQPVBPI-OAHLLOKOSA-N 0 1 376.545 3.115 20 0 GGADMN CCN(C)c1ccnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165016957 721837612 /nfs/dbraw/zinc/83/76/12/721837612.db2.gz GQMFYDYABPVHIT-UHFFFAOYSA-N 0 1 399.539 3.051 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3cc[nH]c3n2)CC1 ZINC001165017385 721837738 /nfs/dbraw/zinc/83/77/38/721837738.db2.gz LBLUOQNYKPLTTC-UHFFFAOYSA-N 0 1 381.480 3.076 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccnc(SC)n2)CC1 ZINC001165020517 721837969 /nfs/dbraw/zinc/83/79/69/721837969.db2.gz KFTONZMGUDWKQR-UHFFFAOYSA-N 0 1 388.537 3.317 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3c2CCC3)CC1 ZINC001165022413 721838583 /nfs/dbraw/zinc/83/85/83/721838583.db2.gz SKPLRBPDVGPIJZ-UHFFFAOYSA-N 0 1 382.508 3.083 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cncnc2Cl)CC1 ZINC001165019314 721839001 /nfs/dbraw/zinc/83/90/01/721839001.db2.gz CTODQDRQYZWHDU-UHFFFAOYSA-N 0 1 376.888 3.248 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cccnc32)CC1 ZINC001165021583 721839065 /nfs/dbraw/zinc/83/90/65/721839065.db2.gz OYXBQNUKKMGVGP-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nnc(Cl)cc2F)CC1 ZINC001165020271 721841126 /nfs/dbraw/zinc/84/11/26/721841126.db2.gz BKWCRFNFUMAZRT-UHFFFAOYSA-N 0 1 394.878 3.387 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccnc(C3CC3)n2)CC1 ZINC001165020416 721842139 /nfs/dbraw/zinc/84/21/39/721842139.db2.gz DHJATKLIKWRYNC-UHFFFAOYSA-N 0 1 382.508 3.472 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(C3CC3)ncn2)CC1 ZINC001165022711 721843975 /nfs/dbraw/zinc/84/39/75/721843975.db2.gz SKYTVRMHLKKJDA-UHFFFAOYSA-N 0 1 382.508 3.472 20 0 GGADMN O=C(NC1CCCC1)c1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1 ZINC001165032044 721860023 /nfs/dbraw/zinc/86/00/23/721860023.db2.gz KRQNFHIBXGAPOZ-UHFFFAOYSA-N 0 1 376.932 3.472 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4nccc(NC5CC5)n4)CC3)C2)cc1 ZINC001164937915 721920513 /nfs/dbraw/zinc/92/05/13/721920513.db2.gz HKKICPSUZZJODG-UHFFFAOYSA-N 0 1 393.535 3.231 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5cnccc54)CC3)C2)cc1 ZINC001164939740 721922545 /nfs/dbraw/zinc/92/25/45/721922545.db2.gz MFHGGLZEPVQINN-UHFFFAOYSA-N 0 1 389.503 3.205 20 0 GGADMN COC(=O)c1cccnc1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164941051 721922927 /nfs/dbraw/zinc/92/29/27/721922927.db2.gz ZUVSJCYIJQDQAL-UHFFFAOYSA-N 0 1 395.503 3.048 20 0 GGADMN CCOc1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164938947 721924458 /nfs/dbraw/zinc/92/44/58/721924458.db2.gz CRALSZHTPDIWNL-UHFFFAOYSA-N 0 1 382.508 3.055 20 0 GGADMN COc1cc2c(cc1F)cc(Cl)nc2N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165045063 721926897 /nfs/dbraw/zinc/92/68/97/721926897.db2.gz YYYVOFIYEDAZNY-AWEZNQCLSA-N 0 1 379.863 3.337 20 0 GGADMN COC(=O)c1cc2ccccc2c(N2CCN(CCOc3ccccc3)CC2)n1 ZINC001165044258 721960301 /nfs/dbraw/zinc/96/03/01/721960301.db2.gz GZXNRMLVZKJDLQ-UHFFFAOYSA-N 0 1 391.471 3.222 20 0 GGADMN Cc1nc(-c2ccncc2)cc(N2CCN(CCOc3ccccc3)CC2)n1 ZINC001165044826 721960724 /nfs/dbraw/zinc/96/07/24/721960724.db2.gz OZDIRBPTRBXMJJ-UHFFFAOYSA-N 0 1 375.476 3.048 20 0 GGADMN c1ccc(OCCN2CCN(c3cc(-c4nc(C5CC5)no4)ccn3)CC2)cc1 ZINC001165045510 721961486 /nfs/dbraw/zinc/96/14/86/721961486.db2.gz WJLUQNBVVMQJJS-UHFFFAOYSA-N 0 1 391.475 3.210 20 0 GGADMN COc1ccc2nc(Cl)nc(N3CCN(CCc4ccccn4)CC3)c2c1 ZINC001165054412 722007981 /nfs/dbraw/zinc/00/79/81/722007981.db2.gz LYOFKENOFFYTKU-UHFFFAOYSA-N 0 1 383.883 3.052 20 0 GGADMN CCOC(=O)c1cc(N2CCN(CCc3ccccn3)CC2)nc2ccccc21 ZINC001165053261 722012354 /nfs/dbraw/zinc/01/23/54/722012354.db2.gz DGHRIJJGBZYEGB-UHFFFAOYSA-N 0 1 390.487 3.171 20 0 GGADMN COc1ccc2nc(Cl)cc(N3CCN(CCc4ccccn4)CC3)c2n1 ZINC001165055442 722013480 /nfs/dbraw/zinc/01/34/80/722013480.db2.gz KEDFKGNZRHMRCH-UHFFFAOYSA-N 0 1 383.883 3.052 20 0 GGADMN c1ccc(CCN2CCN(c3nc(-c4ccccn4)nc4ccccc43)CC2)nc1 ZINC001165054850 722017110 /nfs/dbraw/zinc/01/71/10/722017110.db2.gz GDNNLSAWNNVXIL-UHFFFAOYSA-N 0 1 396.498 3.452 20 0 GGADMN Fc1ccc2nc(C(F)F)nc(N3CCN(CCc4ccccn4)CC3)c2c1 ZINC001165054819 722019353 /nfs/dbraw/zinc/01/93/53/722019353.db2.gz DTAPSPKDSKMSHB-UHFFFAOYSA-N 0 1 387.409 3.466 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001164960385 722035459 /nfs/dbraw/zinc/03/54/59/722035459.db2.gz UTOLBZILZPBVSJ-DYESRHJHSA-N 0 1 384.911 3.394 20 0 GGADMN Fc1cc(Cl)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959523 722052990 /nfs/dbraw/zinc/05/29/90/722052990.db2.gz MFROGHRIOGUHAF-UHFFFAOYSA-N 0 1 390.890 3.388 20 0 GGADMN Fc1ccc(Cl)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961929 722053921 /nfs/dbraw/zinc/05/39/21/722053921.db2.gz ZBRDNAZTBSPGHE-UHFFFAOYSA-N 0 1 390.890 3.388 20 0 GGADMN CSc1cc(C)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963246 722056228 /nfs/dbraw/zinc/05/62/28/722056228.db2.gz JOJVLCITSFOUTJ-UHFFFAOYSA-N 0 1 399.564 3.021 20 0 GGADMN CCc1cc(CC)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164966476 722062022 /nfs/dbraw/zinc/06/20/22/722062022.db2.gz USKBDHQYLDLJTK-UHFFFAOYSA-N 0 1 395.551 3.115 20 0 GGADMN Cc1cc(C(C)C)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164966408 722062141 /nfs/dbraw/zinc/06/21/41/722062141.db2.gz SKAKFVDUJGBLSP-UHFFFAOYSA-N 0 1 395.551 3.422 20 0 GGADMN C[C@H]1CCc2c(sc3ncnc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)c32)C1 ZINC001164966763 722071685 /nfs/dbraw/zinc/07/16/85/722071685.db2.gz BHGGFXKADAILDZ-CWRNSKLLSA-N 0 1 384.549 3.116 20 0 GGADMN Clc1cccc2nc(Cl)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c12 ZINC001164967918 722071727 /nfs/dbraw/zinc/07/17/27/722071727.db2.gz VACZTRJPXLOTKP-BETUJISGSA-N 0 1 379.291 3.236 20 0 GGADMN Clc1ccc2[nH]c3ncnc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)c3c2c1 ZINC001164966859 722074867 /nfs/dbraw/zinc/07/48/67/722074867.db2.gz GNXAWFNBBDICOC-GASCZTMLSA-N 0 1 383.883 3.064 20 0 GGADMN c1ccc(CSc2cc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)ncn2)cc1 ZINC001164968258 722076585 /nfs/dbraw/zinc/07/65/85/722076585.db2.gz YATAPBDAEKXURK-KDURUIRLSA-N 0 1 382.533 3.068 20 0 GGADMN c1ccc(SCc2nccc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)n2)cc1 ZINC001164968215 722077468 /nfs/dbraw/zinc/07/74/68/722077468.db2.gz WIIARXHELPFDFX-HDICACEKSA-N 0 1 382.533 3.068 20 0 GGADMN Fc1ccc(F)c2c(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cc(Cl)nc12 ZINC001164967656 722077910 /nfs/dbraw/zinc/07/79/10/722077910.db2.gz HWYPOVCELGILAT-BETUJISGSA-N 0 1 379.838 3.466 20 0 GGADMN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164982201 722112439 /nfs/dbraw/zinc/11/24/39/722112439.db2.gz WKLIHTTXSNTTSC-KNQAVFIVSA-N 0 1 389.503 3.061 20 0 GGADMN Clc1cc(C2CC2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983244 722120289 /nfs/dbraw/zinc/12/02/89/722120289.db2.gz YRNSKASNKJFBBR-IEBWSBKVSA-N 0 1 399.926 3.130 20 0 GGADMN Clc1cc(C2CC2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983247 722120547 /nfs/dbraw/zinc/12/05/47/722120547.db2.gz YRNSKASNKJFBBR-PKOBYXMFSA-N 0 1 399.926 3.130 20 0 GGADMN Cc1cc(C(C)C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971243 722154463 /nfs/dbraw/zinc/15/44/63/722154463.db2.gz BLWNBCSKBLVNID-CTNGQTDRSA-N 0 1 381.524 3.031 20 0 GGADMN Cc1cc(C(C)C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971251 722154633 /nfs/dbraw/zinc/15/46/33/722154633.db2.gz BLWNBCSKBLVNID-PZJWPPBQSA-N 0 1 381.524 3.031 20 0 GGADMN CCOc1ccnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1 ZINC001164994617 722181398 /nfs/dbraw/zinc/18/13/98/722181398.db2.gz ZQJWYAKDTGJCTR-RTBURBONSA-N 0 1 388.537 3.115 20 0 GGADMN Fc1cccc(CN2CC[C@]23CCCN(c2nccc(N4CCCC4)n2)C3)c1 ZINC001164990896 722190532 /nfs/dbraw/zinc/19/05/32/722190532.db2.gz WYBBKPJWFYQDBC-QFIPXVFZSA-N 0 1 381.499 3.461 20 0 GGADMN COC(=O)c1cc(F)cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993882 722192937 /nfs/dbraw/zinc/19/29/37/722192937.db2.gz IJTXQQFCCKVXRW-NRFANRHFSA-N 0 1 387.430 3.391 20 0 GGADMN NC(=O)c1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncc1Cl ZINC001164995544 722193616 /nfs/dbraw/zinc/19/36/16/722193616.db2.gz VIQBBEJSYPWGDA-FQEVSTJZSA-N 0 1 388.874 3.218 20 0 GGADMN NC(=O)c1cc(Cl)cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994862 722193852 /nfs/dbraw/zinc/19/38/52/722193852.db2.gz QJSGHHPXKYZIQI-HXUWFJFHSA-N 0 1 388.874 3.218 20 0 GGADMN NC(=O)c1cc(Cl)cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994859 722193951 /nfs/dbraw/zinc/19/39/51/722193951.db2.gz QJSGHHPXKYZIQI-FQEVSTJZSA-N 0 1 388.874 3.218 20 0 GGADMN COC(=O)c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1OC ZINC001164993903 722194334 /nfs/dbraw/zinc/19/43/34/722194334.db2.gz JASLCBNMFRYMTG-QFIPXVFZSA-N 0 1 399.466 3.261 20 0 GGADMN CCOC(=O)c1cnc(C)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993951 722196578 /nfs/dbraw/zinc/19/65/78/722196578.db2.gz JUHBDXHILOTLHX-QFIPXVFZSA-N 0 1 398.482 3.346 20 0 GGADMN COC(=O)c1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncc1F ZINC001164995142 722196601 /nfs/dbraw/zinc/19/66/01/722196601.db2.gz SBEYRYTUDJZVBE-NRFANRHFSA-N 0 1 387.430 3.391 20 0 GGADMN COC(=O)c1cc(OC)cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994626 722196810 /nfs/dbraw/zinc/19/68/10/722196810.db2.gz OLUSXZYMOQAJDN-QFIPXVFZSA-N 0 1 399.466 3.261 20 0 GGADMN CN(C)C(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164995658 722197758 /nfs/dbraw/zinc/19/77/58/722197758.db2.gz WRMPXHAQABACOF-JOCHJYFZSA-N 0 1 382.483 3.167 20 0 GGADMN CC(C)c1nc(N(C)C)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994466 722202683 /nfs/dbraw/zinc/20/26/83/722202683.db2.gz HKVURTMOUKMZDA-QFIPXVFZSA-N 0 1 398.530 3.445 20 0 GGADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ncc(OC(F)F)cn2)C3)c1 ZINC001164995358 722203555 /nfs/dbraw/zinc/20/35/55/722203555.db2.gz MIZGTCKYYJVNMP-LJQANCHMSA-N 0 1 378.398 3.462 20 0 GGADMN COc1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc2c1ccn2C ZINC001164998160 722213193 /nfs/dbraw/zinc/21/31/93/722213193.db2.gz UQTSOQQYTUAPNM-QFIPXVFZSA-N 0 1 395.482 3.361 20 0 GGADMN COCc1nc(OC)cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164997538 722213234 /nfs/dbraw/zinc/21/32/34/722213234.db2.gz ROLUGRGUXFYHFO-NRFANRHFSA-N 0 1 386.471 3.016 20 0 GGADMN CC(C)(CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000780384121 939112860 /nfs/dbraw/zinc/11/28/60/939112860.db2.gz CGOCULSHDYNZRI-IBGZPJMESA-N 0 1 387.524 3.156 20 0 GGADMN CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000780391049 939114210 /nfs/dbraw/zinc/11/42/10/939114210.db2.gz OZTBREUTPSUMDT-PMACEKPBSA-N 0 1 387.524 3.156 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1F ZINC000780470628 939126236 /nfs/dbraw/zinc/12/62/36/939126236.db2.gz TYYMZNJIKVSCGZ-SFHVURJKSA-N 0 1 388.443 3.153 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000780484437 939127668 /nfs/dbraw/zinc/12/76/68/939127668.db2.gz CSZVSTACJFPMDL-AZUAARDMSA-N 0 1 381.476 3.024 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000780486529 939128304 /nfs/dbraw/zinc/12/83/04/939128304.db2.gz UZDOXEIRRTUVOT-QUCCMNQESA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H](CCNC(=O)N[C@@H](C(=O)[O-])c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000379603573 939130407 /nfs/dbraw/zinc/13/04/07/939130407.db2.gz FXOLYAJPYNGZDP-WMLDXEAASA-N 0 1 375.494 3.084 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@H](C(=O)[O-])c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000379631209 939131223 /nfs/dbraw/zinc/13/12/23/939131223.db2.gz LGOJVCKQKLXBCO-HFTRVMKXSA-N 0 1 387.505 3.226 20 0 GGADMN C[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383348055 939132398 /nfs/dbraw/zinc/13/23/98/939132398.db2.gz YWLDHKNIFLBHFZ-ZVZYQTTQSA-N 0 1 387.505 3.084 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1(C(=O)[O-])CCCC1 ZINC000780585536 939139507 /nfs/dbraw/zinc/13/95/07/939139507.db2.gz PWIIAXBXELWIBK-UHFFFAOYSA-N 0 1 385.464 3.108 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1(C(=O)[O-])CCCC1 ZINC000780585536 939139510 /nfs/dbraw/zinc/13/95/10/939139510.db2.gz PWIIAXBXELWIBK-UHFFFAOYSA-N 0 1 385.464 3.108 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000780633870 939141495 /nfs/dbraw/zinc/14/14/95/939141495.db2.gz IKQNCWNARZQTHE-DBVUQKKJSA-N 0 1 381.476 3.165 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N[C@H](C(=O)[O-])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000780697997 939146644 /nfs/dbraw/zinc/14/66/44/939146644.db2.gz YJMAUQVTEWDZSA-QFUCXCTJSA-N 0 1 395.503 3.412 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000780700930 939147306 /nfs/dbraw/zinc/14/73/06/939147306.db2.gz SYSAIJNVUXVERF-SMNXXWJPSA-N 0 1 397.878 3.024 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000780700929 939147326 /nfs/dbraw/zinc/14/73/26/939147326.db2.gz SYSAIJNVUXVERF-RNRVQEDPSA-N 0 1 397.878 3.024 20 0 GGADMN C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900295600 939268453 /nfs/dbraw/zinc/26/84/53/939268453.db2.gz LNAMQHGKCBCZIO-UXPWSPDFSA-N 0 1 381.476 3.022 20 0 GGADMN C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900295601 939268670 /nfs/dbraw/zinc/26/86/70/939268670.db2.gz LNAMQHGKCBCZIO-VDGAXYAQSA-N 0 1 381.476 3.022 20 0 GGADMN CC[C@@](NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000900307265 939271542 /nfs/dbraw/zinc/27/15/42/939271542.db2.gz XCGNTDKHCXTNRL-IBGZPJMESA-N 0 1 381.904 3.061 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2)C[C@@H](C)O1 ZINC000902000479 939282351 /nfs/dbraw/zinc/28/23/51/939282351.db2.gz HTSWBFBWURBJEM-IAGOWNOFSA-N 0 1 388.508 3.203 20 0 GGADMN C[C@@](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)(C(=O)[O-])c1ccccc1 ZINC000902088789 939284770 /nfs/dbraw/zinc/28/47/70/939284770.db2.gz UPVHVJDUGBYKIA-OFNKIYASSA-N 0 1 392.499 3.405 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860914 939290979 /nfs/dbraw/zinc/29/09/79/939290979.db2.gz YRDFJFHSSADGND-APWZRJJASA-N 0 1 388.414 3.119 20 0 GGADMN Cc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000908622793 939302423 /nfs/dbraw/zinc/30/24/23/939302423.db2.gz YZBXXSIWBRGOGP-NRFANRHFSA-N 0 1 385.439 3.375 20 0 GGADMN CCc1ccc(C)nc1NC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000908653153 939303706 /nfs/dbraw/zinc/30/37/06/939303706.db2.gz YBJHTNHKMGQOIQ-QFIPXVFZSA-N 0 1 396.491 3.193 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Nc2cc(C3CC3)ccn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908672687 939305363 /nfs/dbraw/zinc/30/53/63/939305363.db2.gz BORWQWCMVQPCAC-JOCHJYFZSA-N 0 1 394.475 3.200 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000908746616 939309038 /nfs/dbraw/zinc/30/90/38/939309038.db2.gz XVTVLYOZOPGLRR-HIFRSBDPSA-N 0 1 399.369 3.026 20 0 GGADMN CC[C@](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908746852 939309593 /nfs/dbraw/zinc/30/95/93/939309593.db2.gz YXEHRNSVSKGXFS-DNVCBOLYSA-N 0 1 393.871 3.225 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000908752784 939311964 /nfs/dbraw/zinc/31/19/64/939311964.db2.gz FWCUGLVCQBSUPC-DLBZAZTESA-N 0 1 393.846 3.207 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000908752790 939312118 /nfs/dbraw/zinc/31/21/18/939312118.db2.gz FWCUGLVCQBSUPC-SJORKVTESA-N 0 1 393.846 3.207 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)(C(=O)[O-])CC1 ZINC000908754525 939312766 /nfs/dbraw/zinc/31/27/66/939312766.db2.gz QKDGPKAVUDZQMI-AXHNFQJDSA-N 0 1 381.904 3.275 20 0 GGADMN CC[C@@](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908759858 939315097 /nfs/dbraw/zinc/31/50/97/939315097.db2.gz DULIIYZRXGVEFY-QFIPXVFZSA-N 0 1 383.492 3.198 20 0 GGADMN CC[C@](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000908759857 939315106 /nfs/dbraw/zinc/31/51/06/939315106.db2.gz DULIIYZRXGVEFY-JOCHJYFZSA-N 0 1 383.492 3.198 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C(=O)[O-])c1 ZINC000908760559 939315582 /nfs/dbraw/zinc/31/55/82/939315582.db2.gz MAJAUYASTFSDKK-FQEVSTJZSA-N 0 1 383.492 3.250 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C(=O)[O-])cc1C ZINC000908760557 939315768 /nfs/dbraw/zinc/31/57/68/939315768.db2.gz MAHWIIQDNDIZGI-FQEVSTJZSA-N 0 1 383.492 3.250 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)(C(=O)[O-])CC1 ZINC000908805687 939323231 /nfs/dbraw/zinc/32/32/31/939323231.db2.gz BKJRNVRFSBJZRF-CIEDQVTBSA-N 0 1 387.524 3.156 20 0 GGADMN CC[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000908809674 939324515 /nfs/dbraw/zinc/32/45/15/939324515.db2.gz OPYRQLAPVMUNBU-NFBKMPQASA-N 0 1 395.503 3.123 20 0 GGADMN CC[C@H](CNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000908809676 939324879 /nfs/dbraw/zinc/32/48/79/939324879.db2.gz OPYRQLAPVMUNBU-OFNKIYASSA-N 0 1 395.503 3.123 20 0 GGADMN C[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000908812854 939325933 /nfs/dbraw/zinc/32/59/33/939325933.db2.gz HZOGNELRIRVODN-WQGACYEGSA-N 0 1 385.867 3.024 20 0 GGADMN CC[C@](NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908815857 939326342 /nfs/dbraw/zinc/32/63/42/939326342.db2.gz ZHNRZHLLKYPHDW-AUSJPIAWSA-N 0 1 395.931 3.450 20 0 GGADMN C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000908814711 939326910 /nfs/dbraw/zinc/32/69/10/939326910.db2.gz SEIDPLQGHRMVAI-GQIGUUNPSA-N 0 1 383.492 3.385 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])c1C ZINC000908816351 939326958 /nfs/dbraw/zinc/32/69/58/939326958.db2.gz IWXGOOLLPQGPHI-IBGZPJMESA-N 0 1 375.513 3.383 20 0 GGADMN COc1ccc([C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C(=O)[O-])cc1Cl ZINC000908817429 939327126 /nfs/dbraw/zinc/32/71/26/939327126.db2.gz GCDCMTKICXJAKC-XNJGSVPQSA-N 0 1 397.903 3.036 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(=O)[O-])cc1C ZINC000908822693 939329235 /nfs/dbraw/zinc/32/92/35/939329235.db2.gz FJJKNEXCGODFDC-HKUYNNGSSA-N 0 1 375.513 3.383 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C(=O)[O-])c1 ZINC000908822686 939329532 /nfs/dbraw/zinc/32/95/32/939329532.db2.gz FHXJKVISKIBLOE-MJGOQNOKSA-N 0 1 375.513 3.383 20 0 GGADMN CC[C@](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000908823062 939330000 /nfs/dbraw/zinc/33/00/00/939330000.db2.gz KEBUEFFVQHHBIY-LAUBAEHRSA-N 0 1 375.513 3.330 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])c1 ZINC000908827361 939330594 /nfs/dbraw/zinc/33/05/94/939330594.db2.gz IJLKFHPHGQAOFP-HNAYVOBHSA-N 0 1 375.513 3.240 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])cc1C ZINC000908827230 939330610 /nfs/dbraw/zinc/33/06/10/939330610.db2.gz COCVUONGAYCZIA-YRNRMSPPSA-N 0 1 389.540 3.486 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000908824211 939330648 /nfs/dbraw/zinc/33/06/48/939330648.db2.gz ZUBSMYCRAGQQKT-SUMWQHHRSA-N 0 1 383.439 3.044 20 0 GGADMN Cc1cc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)[O-])ccc1F ZINC000908826947 939330900 /nfs/dbraw/zinc/33/09/00/939330900.db2.gz GXILFGATPHQSJN-KDOFPFPSSA-N 0 1 379.476 3.071 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])c1 ZINC000908828205 939331195 /nfs/dbraw/zinc/33/11/95/939331195.db2.gz IPKDTAQHXGQFAQ-WSTZPKSXSA-N 0 1 389.540 3.486 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])c1C ZINC000908827476 939331283 /nfs/dbraw/zinc/33/12/83/939331283.db2.gz JDSMZSZACSDJGS-KXBFYZLASA-N 0 1 375.513 3.240 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])cc1C ZINC000908829047 939332163 /nfs/dbraw/zinc/33/21/63/939332163.db2.gz VAOBKDLUDKGJLP-HNAYVOBHSA-N 0 1 375.513 3.240 20 0 GGADMN Cc1cc([C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908831068 939332558 /nfs/dbraw/zinc/33/25/58/939332558.db2.gz WUQYLJYKLDGVPP-KHYOSLBOSA-N 0 1 393.503 3.317 20 0 GGADMN Cc1ccc([C@@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908846822 939335263 /nfs/dbraw/zinc/33/52/63/939335263.db2.gz DCQPGFQJWJPLDL-LEWJYISDSA-N 0 1 395.503 3.393 20 0 GGADMN O=C([O-])[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCCC1 ZINC000908847715 939335946 /nfs/dbraw/zinc/33/59/46/939335946.db2.gz SJKPWKDOWGGEEU-UXHICEINSA-N 0 1 387.524 3.374 20 0 GGADMN 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0 1 387.480 3.444 20 0 GGADMN CCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001589658505 949824517 /nfs/dbraw/zinc/82/45/17/949824517.db2.gz ANOGQERSSQDISS-AABGKKOBSA-N 0 1 387.524 3.326 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001595271226 949827569 /nfs/dbraw/zinc/82/75/69/949827569.db2.gz OLGCQRWXAQZXBF-JOCHJYFZSA-N 0 1 394.475 3.300 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001595273543 949872765 /nfs/dbraw/zinc/87/27/65/949872765.db2.gz PPKVOHSLXPPOSV-MJGOQNOKSA-N 0 1 394.475 3.298 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC001602819793 971621985 /nfs/dbraw/zinc/62/19/85/971621985.db2.gz IGMJNUNAHVTSCR-OAHLLOKOSA-N 0 1 380.444 3.184 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(I)cc1Cl)C1CC1 ZINC001602821424 971626929 /nfs/dbraw/zinc/62/69/29/971626929.db2.gz DPSUNEXDDHPPJY-MRVPVSSYSA-N 0 1 379.625 3.382 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(I)c(Cl)c1)C1CC1 ZINC001602821869 971630222 /nfs/dbraw/zinc/63/02/22/971630222.db2.gz RUHYKVUSMIBFKU-QMMMGPOBSA-N 0 1 379.625 3.382 20 0 GGADMN CC[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000263004020 950211844 /nfs/dbraw/zinc/21/18/44/950211844.db2.gz NBBXCUJPCMYHFA-HXUWFJFHSA-N 0 1 381.476 3.021 20 0 GGADMN C[C@@H](CN(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000263037009 950225174 /nfs/dbraw/zinc/22/51/74/950225174.db2.gz PXANYWHMCXLSMP-INIZCTEOSA-N 0 1 375.513 3.313 20 0 GGADMN CCN(C(=O)C[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1nc2ccccc2s1 ZINC001589700311 950229629 /nfs/dbraw/zinc/22/96/29/950229629.db2.gz ZBPJLHHBTOJCTJ-AWEZNQCLSA-N 0 1 375.494 3.226 20 0 GGADMN CCN(C(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1nc2ccccc2s1 ZINC001589700311 950229642 /nfs/dbraw/zinc/22/96/42/950229642.db2.gz ZBPJLHHBTOJCTJ-AWEZNQCLSA-N 0 1 375.494 3.226 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263095680 950262472 /nfs/dbraw/zinc/26/24/72/950262472.db2.gz VHEGBMYITJHNAB-BBRMVZONSA-N 0 1 381.398 3.493 20 0 GGADMN CCN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001589705242 950274425 /nfs/dbraw/zinc/27/44/25/950274425.db2.gz IPDISVHXHQMXCX-BEFAXECRSA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001589705823 950281517 /nfs/dbraw/zinc/28/15/17/950281517.db2.gz BHPLQHRISZMFMJ-IBGZPJMESA-N 0 1 381.476 3.442 20 0 GGADMN CCN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001589705824 950282048 /nfs/dbraw/zinc/28/20/48/950282048.db2.gz BHPLQHRISZMFMJ-LJQANCHMSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263147892 950293543 /nfs/dbraw/zinc/29/35/43/950293543.db2.gz FDMSAFUSKVWAKS-NUJGCVRESA-N 0 1 394.471 3.287 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263147892 950293564 /nfs/dbraw/zinc/29/35/64/950293564.db2.gz FDMSAFUSKVWAKS-NUJGCVRESA-N 0 1 394.471 3.287 20 0 GGADMN C[N@@H+](CCCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)Cc1ccccc1 ZINC000379636326 971651641 /nfs/dbraw/zinc/65/16/41/971651641.db2.gz MFAWUWBMDFZGGH-SFHVURJKSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263361108 950399999 /nfs/dbraw/zinc/39/99/99/950399999.db2.gz RXWBJAGAPBCSDT-HQRMLTQVSA-N 0 1 388.508 3.182 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263361111 950400451 /nfs/dbraw/zinc/40/04/51/950400451.db2.gz RXWBJAGAPBCSDT-QRFRQXIXSA-N 0 1 388.508 3.182 20 0 GGADMN CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1)[C@@H](C)C(=O)[O-] ZINC001589720567 950418626 /nfs/dbraw/zinc/41/86/26/950418626.db2.gz RZRDKEHVDUNTSB-HOCLYGCPSA-N 0 1 380.485 3.099 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263380756 950423872 /nfs/dbraw/zinc/42/38/72/950423872.db2.gz XGRWTVFQAOZYPX-YZGWKJHDSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263380755 950423973 /nfs/dbraw/zinc/42/39/73/950423973.db2.gz XGRWTVFQAOZYPX-RLLQIKCJSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000263385289 950426574 /nfs/dbraw/zinc/42/65/74/950426574.db2.gz XZGZGBKSFXRJLZ-QFBILLFUSA-N 0 1 378.472 3.493 20 0 GGADMN CC[NH+](CC)[C@H](CNCc1c(C(=O)[O-])cnn1C)c1ccc(C(F)(F)F)cc1 ZINC001589722788 950430845 /nfs/dbraw/zinc/43/08/45/950430845.db2.gz FSZIZCBWSKUDGI-MRXNPFEDSA-N 0 1 398.429 3.310 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263510940 950496844 /nfs/dbraw/zinc/49/68/44/950496844.db2.gz YSAWLWYFGPWHQH-FQEVSTJZSA-N 0 1 395.503 3.438 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1C ZINC000263562143 950510343 /nfs/dbraw/zinc/51/03/43/950510343.db2.gz COKLSESJDYFNPJ-OAHLLOKOSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1C ZINC000263562143 950510355 /nfs/dbraw/zinc/51/03/55/950510355.db2.gz COKLSESJDYFNPJ-OAHLLOKOSA-N 0 1 387.505 3.470 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@@H]1C ZINC001589740612 950584165 /nfs/dbraw/zinc/58/41/65/950584165.db2.gz VZZKMXHXIDYBNY-WDEREUQCSA-N 0 1 384.274 3.094 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@H]1C ZINC001589740609 950584435 /nfs/dbraw/zinc/58/44/35/950584435.db2.gz VZZKMXHXIDYBNY-GHMZBOCLSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@H]1CCN(Cc2ccc(Cl)cc2-c2nn[nH]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576213717 950641334 /nfs/dbraw/zinc/64/13/34/950641334.db2.gz HFANXMRYHWZVBV-LRDDRELGSA-N 0 1 391.903 3.320 20 0 GGADMN CC(C)N1CCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[nH]n1)[C@@H](C)[C@H](C)CC2 ZINC001576215863 950712851 /nfs/dbraw/zinc/71/28/51/950712851.db2.gz GQEFEVNBVBQNDD-AGIUHOORSA-N 0 1 388.541 3.425 20 0 GGADMN CC(C)N1CCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[nH]n1)[C@H](C)[C@H](C)CC2 ZINC001576215872 950714468 /nfs/dbraw/zinc/71/44/68/950714468.db2.gz GQEFEVNBVBQNDD-JHJVBQTASA-N 0 1 388.541 3.425 20 0 GGADMN CC(C)CCC1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001574183891 950766660 /nfs/dbraw/zinc/76/66/60/950766660.db2.gz ALKMTCNQBGQYKS-IBGZPJMESA-N 0 1 382.512 3.120 20 0 GGADMN CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001590128780 950789215 /nfs/dbraw/zinc/78/92/15/950789215.db2.gz AVVVYBHUUZNMPS-PWRODBHTSA-N 0 1 381.472 3.351 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001594970558 950843994 /nfs/dbraw/zinc/84/39/94/950843994.db2.gz VJUSLQAKLGTTEN-PALWXXHSSA-N 0 1 394.471 3.408 20 0 GGADMN CC(C)CCCn1c(=O)c(-c2nnn[n-]2)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001574195202 950975819 /nfs/dbraw/zinc/97/58/19/950975819.db2.gz IQCDWKNQVCPZHF-UHFFFAOYSA-N 0 1 392.507 3.023 20 0 GGADMN CC(C)CCCCNS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001574195630 951003079 /nfs/dbraw/zinc/00/30/79/951003079.db2.gz VDXYEZNTSCTYIE-UHFFFAOYSA-N 0 1 379.511 3.186 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC001594992946 951050389 /nfs/dbraw/zinc/05/03/89/951050389.db2.gz IAGAVMKXXZGHIL-NVXWUHKLSA-N 0 1 398.425 3.383 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001594993340 951057129 /nfs/dbraw/zinc/05/71/29/951057129.db2.gz CAIJRHRAKCCWPC-KRWDZBQOSA-N 0 1 394.471 3.433 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1C ZINC001591427102 951142130 /nfs/dbraw/zinc/14/21/30/951142130.db2.gz ZWHQFKCFOYUJNO-DGCLKSJQSA-N 0 1 396.509 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(C(=O)[O-])c1C ZINC001591466763 951148529 /nfs/dbraw/zinc/14/85/29/951148529.db2.gz MYIFPRVAUOWJRL-OLZOCXBDSA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(C(=O)[O-])c1C ZINC001591466763 951148536 /nfs/dbraw/zinc/14/85/36/951148536.db2.gz MYIFPRVAUOWJRL-OLZOCXBDSA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC)c(C(=O)[O-])c1C ZINC001591466788 951148918 /nfs/dbraw/zinc/14/89/18/951148918.db2.gz NOEDXBHWPABVQF-LBPRGKRZSA-N 0 1 382.482 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@@H]2CC)c(C(=O)[O-])c1C ZINC001591466788 951148928 /nfs/dbraw/zinc/14/89/28/951148928.db2.gz NOEDXBHWPABVQF-LBPRGKRZSA-N 0 1 382.482 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(C(=O)[O-])c1C ZINC001591466765 951149304 /nfs/dbraw/zinc/14/93/04/951149304.db2.gz MYIFPRVAUOWJRL-STQMWFEESA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(C(=O)[O-])c1C ZINC001591466765 951149309 /nfs/dbraw/zinc/14/93/09/951149309.db2.gz MYIFPRVAUOWJRL-STQMWFEESA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)c(C(=O)[O-])c1C ZINC001591467064 951151998 /nfs/dbraw/zinc/15/19/98/951151998.db2.gz UQUWLBRCXALZEN-CYBMUJFWSA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]2CC(C)C)c(C(=O)[O-])c1C ZINC001591467323 951154023 /nfs/dbraw/zinc/15/40/23/951154023.db2.gz YCNSJWAHLQUYKF-ZDUSSCGKSA-N 0 1 396.509 3.380 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000379607529 951169242 /nfs/dbraw/zinc/16/92/42/951169242.db2.gz FGEVNQCQTBIGTB-RTBURBONSA-N 0 1 375.513 3.087 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000379626179 951170521 /nfs/dbraw/zinc/17/05/21/951170521.db2.gz GNWDIXMJZNYTKW-AEFFLSMTSA-N 0 1 375.513 3.230 20 0 GGADMN C[C@H](CCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000379647408 951170539 /nfs/dbraw/zinc/17/05/39/951170539.db2.gz ZPLZAGGFPVBBTO-IEBWSBKVSA-N 0 1 375.513 3.326 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379626183 951171025 /nfs/dbraw/zinc/17/10/25/951171025.db2.gz GNWDIXMJZNYTKW-FUHWJXTLSA-N 0 1 375.513 3.230 20 0 GGADMN CCOCN(C(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1c(C)cccc1CC ZINC001591977586 951253636 /nfs/dbraw/zinc/25/36/36/951253636.db2.gz XZYNYNGXKNUWIE-QGZVFWFLSA-N 0 1 376.497 3.071 20 0 GGADMN CCOCN(C(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1)c1c(C)cccc1CC ZINC001591977583 951253720 /nfs/dbraw/zinc/25/37/20/951253720.db2.gz XZYNYNGXKNUWIE-KRWDZBQOSA-N 0 1 376.497 3.071 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001595012411 951259835 /nfs/dbraw/zinc/25/98/35/951259835.db2.gz FIFGUJYIYDJACG-CABCVRRESA-N 0 1 376.280 3.452 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001595012414 951260184 /nfs/dbraw/zinc/26/01/84/951260184.db2.gz FIFGUJYIYDJACG-LSDHHAIUSA-N 0 1 376.280 3.452 20 0 GGADMN CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001592663468 951347933 /nfs/dbraw/zinc/34/79/33/951347933.db2.gz XVBWTVJKBAAWOY-ZFWWWQNUSA-N 0 1 377.872 3.163 20 0 GGADMN CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@](CC)(C(=O)[O-])C3)sc2c1 ZINC001592816375 951371107 /nfs/dbraw/zinc/37/11/07/951371107.db2.gz WXMLDEOIQFLDBT-LJQANCHMSA-N 0 1 391.493 3.210 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001602868788 971738952 /nfs/dbraw/zinc/73/89/52/971738952.db2.gz RZGDIOQIGMMYTP-NRFANRHFSA-N 0 1 376.472 3.303 20 0 GGADMN CC(C)(CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(=O)[O-] ZINC000390553102 951383206 /nfs/dbraw/zinc/38/32/06/951383206.db2.gz QLRDZSDFURKUMS-KRWDZBQOSA-N 0 1 375.513 3.087 20 0 GGADMN O=C([O-])CCCCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001595034283 951384954 /nfs/dbraw/zinc/38/49/54/951384954.db2.gz IBZAZUBMROQQHI-UHFFFAOYSA-N 0 1 385.464 3.067 20 0 GGADMN CN(C(=O)Nc1cc(C(=O)[O-])ccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394230668 951450140 /nfs/dbraw/zinc/45/01/40/951450140.db2.gz NUVLALFZVYSIFD-FUNVUKJBSA-N 0 1 396.285 3.236 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001595066296 951549687 /nfs/dbraw/zinc/54/96/87/951549687.db2.gz HJHZMIPPBSSZHA-IBGZPJMESA-N 0 1 381.476 3.347 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000397958986 951576509 /nfs/dbraw/zinc/57/65/09/951576509.db2.gz OEBVUCWUYVNMER-MOPGFXCFSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])COc1cccc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC001595120618 951973659 /nfs/dbraw/zinc/97/36/59/951973659.db2.gz FYJVPZQVERANQZ-MRXNPFEDSA-N 0 1 397.475 3.208 20 0 GGADMN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001595124512 952000867 /nfs/dbraw/zinc/00/08/67/952000867.db2.gz ULUUGLBANWRRQN-HNNXBMFYSA-N 0 1 393.427 3.122 20 0 GGADMN O=C([O-])CS(=O)(=O)CC[N@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001595124512 952000872 /nfs/dbraw/zinc/00/08/72/952000872.db2.gz ULUUGLBANWRRQN-HNNXBMFYSA-N 0 1 393.427 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001602889821 971797215 /nfs/dbraw/zinc/79/72/15/971797215.db2.gz SLZZUBTZAJMBFB-IAGOWNOFSA-N 0 1 390.480 3.237 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC001595190003 952274504 /nfs/dbraw/zinc/27/45/04/952274504.db2.gz MGRJCAWIMAHVOF-LZLYRXPVSA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC001595190002 952274603 /nfs/dbraw/zinc/27/46/03/952274603.db2.gz MGRJCAWIMAHVOF-JZXOWHBKSA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc3c(Br)cccc13)C2 ZINC001595192112 952287903 /nfs/dbraw/zinc/28/79/03/952287903.db2.gz GSRJQRWRXMEEBU-UGSOOPFHSA-N 0 1 376.250 3.135 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602895822 971821581 /nfs/dbraw/zinc/82/15/81/971821581.db2.gz NUYQEHJENWPOPL-ZFWWWQNUSA-N 0 1 384.423 3.219 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602895818 971821977 /nfs/dbraw/zinc/82/19/77/971821977.db2.gz NUYQEHJENWPOPL-HIFRSBDPSA-N 0 1 384.423 3.219 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ccn1 ZINC001595208382 952348733 /nfs/dbraw/zinc/34/87/33/952348733.db2.gz HVOMTGATDRMNRP-UHFFFAOYSA-N 0 1 388.855 3.173 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ccn1 ZINC001595208382 952348738 /nfs/dbraw/zinc/34/87/38/952348738.db2.gz HVOMTGATDRMNRP-UHFFFAOYSA-N 0 1 388.855 3.173 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC001595209312 952355682 /nfs/dbraw/zinc/35/56/82/952355682.db2.gz YWQJWTMWJRJPCZ-YLJYHZDGSA-N 0 1 394.475 3.298 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001575201798 952507344 /nfs/dbraw/zinc/50/73/44/952507344.db2.gz QPKHDMOKFYSEAA-CYBMUJFWSA-N 0 1 389.419 3.199 20 0 GGADMN C[C@@H](Cc1cccs1)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001575203493 952524138 /nfs/dbraw/zinc/52/41/38/952524138.db2.gz YNAAHBVXANRTRC-NSHDSACASA-N 0 1 390.900 3.083 20 0 GGADMN C[N@@H+](CCCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)Cc1ccccc1 ZINC000382959961 971841824 /nfs/dbraw/zinc/84/18/24/971841824.db2.gz RXYGEFICNMXELW-UHFFFAOYSA-N 0 1 377.391 3.307 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414616201 953399540 /nfs/dbraw/zinc/39/95/40/953399540.db2.gz QDQQZPRIOVHHCV-UHFFFAOYSA-N 0 1 375.513 3.457 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CCCC(=O)[O-])cc2)C1 ZINC000414618044 953399733 /nfs/dbraw/zinc/39/97/33/953399733.db2.gz ROMGQEGZXMGSRW-CALCHBBNSA-N 0 1 375.513 3.171 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000422595638 953425522 /nfs/dbraw/zinc/42/55/22/953425522.db2.gz ZRYRJXTUOQSAGV-WRWLIDTKSA-N 0 1 386.517 3.386 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424261519 953441308 /nfs/dbraw/zinc/44/13/08/953441308.db2.gz PHUMFXPBSOLKDN-QGZVFWFLSA-N 0 1 384.480 3.147 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2CCC(=O)[O-])c(OC)cc1Cl ZINC000424264681 953443707 /nfs/dbraw/zinc/44/37/07/953443707.db2.gz UMZYTMVNMBHDLR-ZDUSSCGKSA-N 0 1 398.887 3.405 20 0 GGADMN COc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(OC)cc1Cl ZINC000424263622 953444346 /nfs/dbraw/zinc/44/43/46/953444346.db2.gz RUQGGZSBYXQCFY-GFCCVEGCSA-N 0 1 384.860 3.015 20 0 GGADMN C[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H]1C(=O)[O-] ZINC000424270179 953447943 /nfs/dbraw/zinc/44/79/43/953447943.db2.gz QFKRTEBZZYRJLY-SCLBCKFNSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H]1C(=O)[O-] ZINC000424270179 953447952 /nfs/dbraw/zinc/44/79/52/953447952.db2.gz QFKRTEBZZYRJLY-SCLBCKFNSA-N 0 1 398.425 3.382 20 0 GGADMN CCC(CC)(CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000424401476 953467020 /nfs/dbraw/zinc/46/70/20/953467020.db2.gz AGKVMEXOQNGYCI-IRXDYDNUSA-N 0 1 375.513 3.182 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424404980 953470130 /nfs/dbraw/zinc/47/01/30/953470130.db2.gz NGRYBGVMAXCDGX-QGZVFWFLSA-N 0 1 395.931 3.304 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424404980 953470140 /nfs/dbraw/zinc/47/01/40/953470140.db2.gz NGRYBGVMAXCDGX-QGZVFWFLSA-N 0 1 395.931 3.304 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000424405661 953470793 /nfs/dbraw/zinc/47/07/93/953470793.db2.gz IFNHGYZNUIQXSV-BWPNAZKDSA-N 0 1 389.540 3.189 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424407236 953472051 /nfs/dbraw/zinc/47/20/51/953472051.db2.gz SCKULZWFCCSGMT-GOSISDBHSA-N 0 1 375.513 3.183 20 0 GGADMN CCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424407354 953472606 /nfs/dbraw/zinc/47/26/06/953472606.db2.gz SOEVVQNENFYYKA-SJLPKXTDSA-N 0 1 375.513 3.354 20 0 GGADMN CCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424407355 953472911 /nfs/dbraw/zinc/47/29/11/953472911.db2.gz SOEVVQNENFYYKA-WMZOPIPTSA-N 0 1 375.513 3.354 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000424407942 953474977 /nfs/dbraw/zinc/47/49/77/953474977.db2.gz HOCJZDQZXMFNBS-HKUYNNGSSA-N 0 1 381.561 3.419 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424433297 953486755 /nfs/dbraw/zinc/48/67/55/953486755.db2.gz RMUJQNVVHOPSIR-IBGZPJMESA-N 0 1 389.540 3.431 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424458179 953490206 /nfs/dbraw/zinc/49/02/06/953490206.db2.gz ZZXKZEBDQYDMNW-CJNGLKHVSA-N 0 1 399.894 3.272 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424458178 953491214 /nfs/dbraw/zinc/49/12/14/953491214.db2.gz ZZXKZEBDQYDMNW-BBRMVZONSA-N 0 1 399.894 3.272 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@@H+](C)CCCC(=O)[O-])n2)cc1 ZINC000455653894 953514592 /nfs/dbraw/zinc/51/45/92/953514592.db2.gz YREKROIKBUFQGK-UHFFFAOYSA-N 0 1 375.494 3.498 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000517145004 953544584 /nfs/dbraw/zinc/54/45/84/953544584.db2.gz SBJQQYJCWBANPP-QFBILLFUSA-N 0 1 378.472 3.493 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000521580207 953553381 /nfs/dbraw/zinc/55/33/81/953553381.db2.gz PTBUSTQUEGXGMT-ROUUACIJSA-N 0 1 387.524 3.457 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000532711700 953565772 /nfs/dbraw/zinc/56/57/72/953565772.db2.gz HUMYUNVRDQMHAM-GOSISDBHSA-N 0 1 396.487 3.069 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H](CC(=O)[O-])C3)ccc2c1 ZINC000532881971 953568368 /nfs/dbraw/zinc/56/83/68/953568368.db2.gz RYRCBWHYSDTCLR-DLBZAZTESA-N 0 1 398.503 3.382 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)C[N@H+]1Cc1ccccc1 ZINC001589285790 953568398 /nfs/dbraw/zinc/56/83/98/953568398.db2.gz GJASDJCPEGBOMH-RDJZCZTQSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)NCCCCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589288114 953580663 /nfs/dbraw/zinc/58/06/63/953580663.db2.gz AWJLAGDGRMXALM-HKUYNNGSSA-N 0 1 375.513 3.326 20 0 GGADMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563789785 953599871 /nfs/dbraw/zinc/59/98/71/953599871.db2.gz XEUTYDBYBGVWOU-UYAOXDASSA-N 0 1 395.503 3.305 20 0 GGADMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563789784 953599995 /nfs/dbraw/zinc/59/99/95/953599995.db2.gz XEUTYDBYBGVWOU-AZUAARDMSA-N 0 1 395.503 3.305 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[N@@H+]1Cc1ccccc1 ZINC001589291321 953601424 /nfs/dbraw/zinc/60/14/24/953601424.db2.gz CQRZEHBAFBHRGI-RLLQIKCJSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[N@H+]1Cc1ccccc1 ZINC001589291321 953601430 /nfs/dbraw/zinc/60/14/30/953601430.db2.gz CQRZEHBAFBHRGI-RLLQIKCJSA-N 0 1 397.519 3.333 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000563810802 953601628 /nfs/dbraw/zinc/60/16/28/953601628.db2.gz SPLZAGDVKRYYOU-IPMKNSEASA-N 0 1 384.863 3.246 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000563810803 953602248 /nfs/dbraw/zinc/60/22/48/953602248.db2.gz SPLZAGDVKRYYOU-OTWHNJEPSA-N 0 1 384.863 3.246 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000564964017 953607101 /nfs/dbraw/zinc/60/71/01/953607101.db2.gz NBXVHLWMDLPVAX-BHDDXSALSA-N 0 1 392.499 3.371 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000564964016 953607506 /nfs/dbraw/zinc/60/75/06/953607506.db2.gz NBXVHLWMDLPVAX-BDTNDASRSA-N 0 1 392.499 3.371 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000564966561 953607848 /nfs/dbraw/zinc/60/78/48/953607848.db2.gz NUSFHTHKRPFAHE-DLBZAZTESA-N 0 1 390.386 3.027 20 0 GGADMN C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000569336623 953648021 /nfs/dbraw/zinc/64/80/21/953648021.db2.gz FWBNUZULMARTSM-OXJNMPFZSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000569336623 953648033 /nfs/dbraw/zinc/64/80/33/953648033.db2.gz FWBNUZULMARTSM-OXJNMPFZSA-N 0 1 399.491 3.164 20 0 GGADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001594785360 953664509 /nfs/dbraw/zinc/66/45/09/953664509.db2.gz HFMKBZHHFHKEKZ-SFTDATJTSA-N 0 1 392.499 3.101 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000572250161 953667808 /nfs/dbraw/zinc/66/78/08/953667808.db2.gz IMTISMGRSPJEBJ-RDTXWAMCSA-N 0 1 395.377 3.129 20 0 GGADMN C[C@@H](C(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000573852625 953674504 /nfs/dbraw/zinc/67/45/04/953674504.db2.gz GGGKSTYBXBLCPK-CYBMUJFWSA-N 0 1 392.908 3.433 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311666 953684135 /nfs/dbraw/zinc/68/41/35/953684135.db2.gz SDOUAJYSWNTGMD-LIVBEALHSA-N 0 1 376.472 3.358 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311667 953684512 /nfs/dbraw/zinc/68/45/12/953684512.db2.gz SDOUAJYSWNTGMD-WIBUTAKZSA-N 0 1 376.472 3.358 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039851 953687901 /nfs/dbraw/zinc/68/79/01/953687901.db2.gz QISZRIRQYFKLKK-PKOBYXMFSA-N 0 1 396.487 3.067 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578867082 953705342 /nfs/dbraw/zinc/70/53/42/953705342.db2.gz HAEHFXVOSYGJOQ-PXNSSMCTSA-N 0 1 380.488 3.467 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578867083 953705647 /nfs/dbraw/zinc/70/56/47/953705647.db2.gz HAEHFXVOSYGJOQ-XLIONFOSSA-N 0 1 380.488 3.467 20 0 GGADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cc2)cc1 ZINC000579472789 953708664 /nfs/dbraw/zinc/70/86/64/953708664.db2.gz OYMOUPOWBYBEHU-JXFKEZNVSA-N 0 1 387.501 3.370 20 0 GGADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cc2)cc1 ZINC000579472789 953708676 /nfs/dbraw/zinc/70/86/76/953708676.db2.gz OYMOUPOWBYBEHU-JXFKEZNVSA-N 0 1 387.501 3.370 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589303751 953716813 /nfs/dbraw/zinc/71/68/13/953716813.db2.gz CIHWQTMAHPHOEO-AGHHOFFYSA-N 0 1 392.499 3.346 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000581666785 953720141 /nfs/dbraw/zinc/72/01/41/953720141.db2.gz AHNVKYORYCIWMK-UHFFFAOYSA-N 0 1 395.459 3.370 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304125 953722692 /nfs/dbraw/zinc/72/26/92/953722692.db2.gz FKPMULJTXYBILW-QWHCGFSZSA-N 0 1 398.488 3.415 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304125 953722703 /nfs/dbraw/zinc/72/27/03/953722703.db2.gz FKPMULJTXYBILW-QWHCGFSZSA-N 0 1 398.488 3.415 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304126 953723572 /nfs/dbraw/zinc/72/35/72/953723572.db2.gz FKPMULJTXYBILW-STQMWFEESA-N 0 1 398.488 3.415 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304126 953723579 /nfs/dbraw/zinc/72/35/79/953723579.db2.gz FKPMULJTXYBILW-STQMWFEESA-N 0 1 398.488 3.415 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000584237321 953733020 /nfs/dbraw/zinc/73/30/20/953733020.db2.gz UJFDBPZEBAEGHL-KXBFYZLASA-N 0 1 375.852 3.072 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000584469761 953733876 /nfs/dbraw/zinc/73/38/76/953733876.db2.gz WHQMBORWCKZQFZ-IJEWVQPXSA-N 0 1 379.526 3.240 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001589305434 953734398 /nfs/dbraw/zinc/73/43/98/953734398.db2.gz OJQOFSYBTQMKDE-CABCVRRESA-N 0 1 388.464 3.242 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001594801376 953738593 /nfs/dbraw/zinc/73/85/93/953738593.db2.gz FEZGENCBQPRWPZ-SFHVURJKSA-N 0 1 382.464 3.346 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001594801611 953740654 /nfs/dbraw/zinc/74/06/54/953740654.db2.gz ICMBOOKGOSPTII-CEXWTWQISA-N 0 1 394.475 3.202 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1F ZINC001589307996 953760090 /nfs/dbraw/zinc/76/00/90/953760090.db2.gz GVPVSNDHZFMDBT-HUUCEWRRSA-N 0 1 379.476 3.184 20 0 GGADMN CCOC(=O)c1ccc2c(c1)nc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)n2CC ZINC000595884742 953773195 /nfs/dbraw/zinc/77/31/95/953773195.db2.gz BTWFQGFUSCFHOX-UHFFFAOYSA-N 0 1 375.469 3.166 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000611969774 953786930 /nfs/dbraw/zinc/78/69/30/953786930.db2.gz GPEBMAWHWAEBML-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000626746174 953799811 /nfs/dbraw/zinc/79/98/11/953799811.db2.gz QJLWGWKWERCZCL-FUHIMQAGSA-N 0 1 387.524 3.171 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc2)C1 ZINC000626746968 953799973 /nfs/dbraw/zinc/79/99/73/953799973.db2.gz ZQIVXAWTLCIAPN-FUHIMQAGSA-N 0 1 387.524 3.171 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000626746177 953800662 /nfs/dbraw/zinc/80/06/62/953800662.db2.gz QJLWGWKWERCZCL-UWVAXJGDSA-N 0 1 387.524 3.171 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC000626762678 953815843 /nfs/dbraw/zinc/81/58/43/953815843.db2.gz AQWPRNDBUOTGNV-YZGWKJHDSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC[C@H]1C(=O)[O-] ZINC000626772512 953818302 /nfs/dbraw/zinc/81/83/02/953818302.db2.gz JALLSJZZZVOHFM-YZGWKJHDSA-N 0 1 399.535 3.041 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000629496474 953824685 /nfs/dbraw/zinc/82/46/85/953824685.db2.gz UMHODSWQFUGHTJ-AHRSYUTCSA-N 0 1 388.508 3.182 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000629495864 953824800 /nfs/dbraw/zinc/82/48/00/953824800.db2.gz NRVBIYIMWPOJQH-YOEHRIQHSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000629495864 953824813 /nfs/dbraw/zinc/82/48/13/953824813.db2.gz NRVBIYIMWPOJQH-YOEHRIQHSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000629495861 953826953 /nfs/dbraw/zinc/82/69/53/953826953.db2.gz NRVBIYIMWPOJQH-PBHICJAKSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000629495861 953826967 /nfs/dbraw/zinc/82/69/67/953826967.db2.gz NRVBIYIMWPOJQH-PBHICJAKSA-N 0 1 387.505 3.175 20 0 GGADMN C[C@@H]1CCC[C@](C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)(N(C)C)C1 ZINC001589315293 953830004 /nfs/dbraw/zinc/83/00/04/953830004.db2.gz HHDDLPIYEXHMQC-WWMYMODYSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629770854 953831530 /nfs/dbraw/zinc/83/15/30/953831530.db2.gz CRJFGSONFZCRGO-DYVFJYSZSA-N 0 1 381.398 3.493 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)ccc2c1 ZINC000629503344 953832033 /nfs/dbraw/zinc/83/20/33/953832033.db2.gz WKLUDSGNLWWCFI-VWKPWSFCSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000629503235 953832542 /nfs/dbraw/zinc/83/25/42/953832542.db2.gz VPUXXRHGELHZNG-WRWLIDTKSA-N 0 1 386.517 3.386 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@@H]1C(=O)[O-] ZINC000629502932 953833330 /nfs/dbraw/zinc/83/33/30/953833330.db2.gz SZTWLCCIHIMTFV-GUYCJALGSA-N 0 1 398.425 3.239 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635020669 953873620 /nfs/dbraw/zinc/87/36/20/953873620.db2.gz QHOJTDZGGXXFOE-JOCHJYFZSA-N 0 1 398.459 3.231 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])nn2C)C1 ZINC000635302675 953877876 /nfs/dbraw/zinc/87/78/76/953877876.db2.gz NNOWBWZVTRRWRS-CYBMUJFWSA-N 0 1 377.872 3.235 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001589323958 953884370 /nfs/dbraw/zinc/88/43/70/953884370.db2.gz MQBKOAGAMQRGPF-HCXYKTFWSA-N 0 1 389.540 3.418 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635517440 953889098 /nfs/dbraw/zinc/88/90/98/953889098.db2.gz APNARBNUFROLCT-MHJFOBGBSA-N 0 1 387.524 3.374 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000635518827 953890619 /nfs/dbraw/zinc/89/06/19/953890619.db2.gz IKLZQQJVWPIOPN-OALUTQOASA-N 0 1 375.513 3.087 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])C1 ZINC001589325690 953905722 /nfs/dbraw/zinc/90/57/22/953905722.db2.gz QRKCRIUZAKAGMS-AOMKIAJQSA-N 0 1 397.519 3.120 20 0 GGADMN CC(C)(CCNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)[O-] ZINC000644177219 953914500 /nfs/dbraw/zinc/91/45/00/953914500.db2.gz URGRIZIBKXJJKE-GBESFXJTSA-N 0 1 387.524 3.087 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC000646142182 953922223 /nfs/dbraw/zinc/92/22/23/953922223.db2.gz COYVOLIUYVSLOF-KRWDZBQOSA-N 0 1 387.524 3.315 20 0 GGADMN O=C([O-])c1cc(NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001594824367 953932687 /nfs/dbraw/zinc/93/26/87/953932687.db2.gz GKCTXBLMJIYEAB-GOSISDBHSA-N 0 1 382.464 3.346 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000646153721 953933719 /nfs/dbraw/zinc/93/37/19/953933719.db2.gz ZHBDYUGMHQVECW-HKUYNNGSSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@H]1C(=O)[O-] ZINC000646154750 953935401 /nfs/dbraw/zinc/93/54/01/953935401.db2.gz DEGMWDVJDITOLP-LELZANKISA-N 0 1 399.535 3.039 20 0 GGADMN CC1(C(=O)[O-])CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000647376966 953957848 /nfs/dbraw/zinc/95/78/48/953957848.db2.gz GZDJKICYJXDTLK-UHFFFAOYSA-N 0 1 377.441 3.074 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000647376983 953957901 /nfs/dbraw/zinc/95/79/01/953957901.db2.gz HSWGVAVXOGORDP-MRXNPFEDSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@@H]1C(=O)[O-] ZINC001589333998 953972798 /nfs/dbraw/zinc/97/27/98/953972798.db2.gz IVKDZZZXLONFCF-LPHOPBHVSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@@H]1C(=O)[O-] ZINC001589333997 953972938 /nfs/dbraw/zinc/97/29/38/953972938.db2.gz IVKDZZZXLONFCF-APWZRJJASA-N 0 1 379.932 3.037 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H]1C(=O)[O-] ZINC001589334381 953977483 /nfs/dbraw/zinc/97/74/83/953977483.db2.gz OHLMRTBADKMJAS-DOMZBBRYSA-N 0 1 381.473 3.120 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H]1C(=O)[O-] ZINC001589334381 953977489 /nfs/dbraw/zinc/97/74/89/953977489.db2.gz OHLMRTBADKMJAS-DOMZBBRYSA-N 0 1 381.473 3.120 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000650502228 954019352 /nfs/dbraw/zinc/01/93/52/954019352.db2.gz QDTJTJZZNMZUBH-LXGCGDOSSA-N 0 1 386.879 3.483 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000650502228 954019361 /nfs/dbraw/zinc/01/93/61/954019361.db2.gz QDTJTJZZNMZUBH-LXGCGDOSSA-N 0 1 386.879 3.483 20 0 GGADMN CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCCCC1 ZINC001593692641 954051336 /nfs/dbraw/zinc/05/13/36/954051336.db2.gz APXZOQUQWWUFDR-MJGOQNOKSA-N 0 1 377.529 3.181 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000652100519 954064469 /nfs/dbraw/zinc/06/44/69/954064469.db2.gz GCOZDGSCBDHAIY-QUCCMNQESA-N 0 1 389.540 3.431 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000652099169 954064520 /nfs/dbraw/zinc/06/45/20/954064520.db2.gz PLBDKNYPKQISMO-CGBFIWBNSA-N 0 1 389.540 3.426 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000652100517 954065692 /nfs/dbraw/zinc/06/56/92/954065692.db2.gz GCOZDGSCBDHAIY-AZUAARDMSA-N 0 1 389.540 3.431 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470962 954089273 /nfs/dbraw/zinc/08/92/73/954089273.db2.gz OOPJCPUJLMNYNF-HOCLYGCPSA-N 0 1 395.377 3.129 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000652471006 954089983 /nfs/dbraw/zinc/08/99/83/954089983.db2.gz QCIXQLRPYGVAMI-FQEVSTJZSA-N 0 1 377.444 3.183 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653287374 954097285 /nfs/dbraw/zinc/09/72/85/954097285.db2.gz TUSXRCCEIMLLOG-CFLQYTFWSA-N 0 1 394.874 3.399 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@H]1C(=O)[O-] ZINC001589353119 954098956 /nfs/dbraw/zinc/09/89/56/954098956.db2.gz MARUOMMEFZESEH-GDBMZVCRSA-N 0 1 388.464 3.099 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC=CCC1 ZINC000653288476 954099564 /nfs/dbraw/zinc/09/95/64/954099564.db2.gz UZPDWZVAGGPRPJ-ZRCGQRJVSA-N 0 1 382.504 3.311 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC001589353696 954107873 /nfs/dbraw/zinc/10/78/73/954107873.db2.gz WTDVDUVNGREMQW-YHYVQYDKSA-N 0 1 392.499 3.203 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1F ZINC001589353727 954109582 /nfs/dbraw/zinc/10/95/82/954109582.db2.gz USEDZUOPLUGPLG-GOEBONIOSA-N 0 1 379.476 3.042 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccc(F)cc1 ZINC001594844004 954113682 /nfs/dbraw/zinc/11/36/82/954113682.db2.gz RCEQWIXRSBINII-OAHLLOKOSA-N 0 1 395.312 3.409 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC001589355265 954127244 /nfs/dbraw/zinc/12/72/44/954127244.db2.gz OUSPCCJLMUGAED-IAQYHMDHSA-N 0 1 378.270 3.382 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cs1 ZINC000653328260 954157048 /nfs/dbraw/zinc/15/70/48/954157048.db2.gz GPWYVCUWNSXYNM-RTBURBONSA-N 0 1 399.516 3.093 20 0 GGADMN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548698 954197856 /nfs/dbraw/zinc/19/78/56/954197856.db2.gz JDWHAOQULLLHGY-LPHOPBHVSA-N 0 1 375.513 3.094 20 0 GGADMN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548698 954197867 /nfs/dbraw/zinc/19/78/67/954197867.db2.gz JDWHAOQULLLHGY-LPHOPBHVSA-N 0 1 375.513 3.094 20 0 GGADMN Cc1ccc(NC(=O)CCCCC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000655556220 954202141 /nfs/dbraw/zinc/20/21/41/954202141.db2.gz RHNNBPHTDXYGLL-UHFFFAOYSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000655862172 954247400 /nfs/dbraw/zinc/24/74/00/954247400.db2.gz YVSIQYDMUHDQIB-QFBILLFUSA-N 0 1 375.513 3.217 20 0 GGADMN CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000655872163 954259136 /nfs/dbraw/zinc/25/91/36/954259136.db2.gz MJXNWGKWKNGEJE-ZQIUZPCESA-N 0 1 399.894 3.128 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(=O)[O-] ZINC000655893073 954273912 /nfs/dbraw/zinc/27/39/12/954273912.db2.gz BDNUGKMTMZKWMB-LJQANCHMSA-N 0 1 387.524 3.041 20 0 GGADMN CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000655892839 954274875 /nfs/dbraw/zinc/27/48/75/954274875.db2.gz GJIGTYRCLAPFEB-WDSOQIARSA-N 0 1 375.513 3.210 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC(=O)[O-] ZINC000659395434 954322070 /nfs/dbraw/zinc/32/20/70/954322070.db2.gz NQEVDZPMMOIEGK-PMACEKPBSA-N 0 1 389.540 3.477 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC(=O)[O-] ZINC000659398670 954324458 /nfs/dbraw/zinc/32/44/58/954324458.db2.gz WRRUENWNWCFRIO-HOJAQTOUSA-N 0 1 389.540 3.476 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659417786 954342385 /nfs/dbraw/zinc/34/23/85/954342385.db2.gz RYEVXCPPRHOXJQ-VQTJNVASSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659757691 954359307 /nfs/dbraw/zinc/35/93/07/954359307.db2.gz KBHBEGYYVFCFQY-FXAWDEMLSA-N 0 1 396.487 3.275 20 0 GGADMN O=C([O-])C1(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CCSCC1 ZINC001594872068 954364097 /nfs/dbraw/zinc/36/40/97/954364097.db2.gz PDKCJOMQPZPEEI-UHFFFAOYSA-N 0 1 383.539 3.056 20 0 GGADMN CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000659781560 954372119 /nfs/dbraw/zinc/37/21/19/954372119.db2.gz 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O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000682186626 954601331 /nfs/dbraw/zinc/60/13/31/954601331.db2.gz UYDFCCRRGZIGCQ-OAQYLSRUSA-N 0 1 393.487 3.150 20 0 GGADMN O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000682186626 954601337 /nfs/dbraw/zinc/60/13/37/954601337.db2.gz UYDFCCRRGZIGCQ-OAQYLSRUSA-N 0 1 393.487 3.150 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)c2)C1 ZINC001593780386 954645984 /nfs/dbraw/zinc/64/59/84/954645984.db2.gz CHPSTFNPFHGRFJ-NQIIRXRSSA-N 0 1 378.472 3.320 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC001594912338 954715591 /nfs/dbraw/zinc/71/55/91/954715591.db2.gz TWSRSWQCOBDVSM-CHWWFWEZSA-N 0 1 378.538 3.207 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCCC[C@H]([C@H]4CCOC4)C3)o2)C1 ZINC001594914336 954725602 /nfs/dbraw/zinc/72/56/02/954725602.db2.gz FYFHVAVMNSGCJT-KSZLIROESA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+][C@H](Cn3ccnc3)c3ccccc3)o2)C1 ZINC001594915697 954749925 /nfs/dbraw/zinc/74/99/25/954749925.db2.gz KQXDAMYULXIRCD-AZUAARDMSA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[N@@H+](Cc4ccccc4)CC3)o2)C1 ZINC001594918520 954782158 /nfs/dbraw/zinc/78/21/58/954782158.db2.gz UELDCSVFEXJEGV-HXUWFJFHSA-N 0 1 397.519 3.289 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](Cn3cccn3)c3ccccc3)o2)C1 ZINC001594918545 954784521 /nfs/dbraw/zinc/78/45/21/954784521.db2.gz UQSGVPWXOPJJRO-QUCCMNQESA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)o2)C1 ZINC001594918904 954787161 /nfs/dbraw/zinc/78/71/61/954787161.db2.gz WFBRRUIDGXUSBW-IAGOWNOFSA-N 0 1 375.513 3.077 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)o2)C1 ZINC001594918903 954787425 /nfs/dbraw/zinc/78/74/25/954787425.db2.gz WFBRRUIDGXUSBW-DLBZAZTESA-N 0 1 375.513 3.077 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)o2)CC1 ZINC001594939527 954871162 /nfs/dbraw/zinc/87/11/62/954871162.db2.gz XJZNJOUVYINSMD-IAGOWNOFSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)Cc2ccccc21 ZINC001594946271 954915574 /nfs/dbraw/zinc/91/55/74/954915574.db2.gz GFYVVYGTNKMHAQ-QUCCMNQESA-N 0 1 385.508 3.177 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)Cc2ccccc21 ZINC001594946269 954915810 /nfs/dbraw/zinc/91/58/10/954915810.db2.gz GFYVVYGTNKMHAQ-AZUAARDMSA-N 0 1 385.508 3.177 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)Cc2ccccc21 ZINC001594948256 954935788 /nfs/dbraw/zinc/93/57/88/954935788.db2.gz RBZXDBKYUAWSKL-GOSISDBHSA-N 0 1 380.448 3.288 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)Cc2ccccc21 ZINC001594951855 954959855 /nfs/dbraw/zinc/95/98/55/954959855.db2.gz QBVMDWINSBCGMP-INIZCTEOSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2cn3cc(Br)ccc3n2)Cc2ccccc21 ZINC001594951855 954959864 /nfs/dbraw/zinc/95/98/64/954959864.db2.gz QBVMDWINSBCGMP-INIZCTEOSA-N 0 1 386.249 3.281 20 0 GGADMN CCC(CC)[C@H](c1ccc(Cl)cc1)[N@H+](C)CCS(=O)(=O)CC(=O)[O-] ZINC001589509469 955043242 /nfs/dbraw/zinc/04/32/42/955043242.db2.gz RSYCJORZJVBZPN-QGZVFWFLSA-N 0 1 375.918 3.249 20 0 GGADMN CCC(CC)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCS(=O)(=O)CC(=O)[O-] ZINC001589509469 955043248 /nfs/dbraw/zinc/04/32/48/955043248.db2.gz RSYCJORZJVBZPN-QGZVFWFLSA-N 0 1 375.918 3.249 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001594965516 955047739 /nfs/dbraw/zinc/04/77/39/955047739.db2.gz VPDZRMMVHGGBBW-QAPCUYQASA-N 0 1 396.270 3.417 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)co1 ZINC001594969694 955095405 /nfs/dbraw/zinc/09/54/05/955095405.db2.gz KIBQWTDIHRNAFE-GFOMBABLSA-N 0 1 380.400 3.231 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000719975774 955172869 /nfs/dbraw/zinc/17/28/69/955172869.db2.gz OKVWBCLOMWYFFB-SFHVURJKSA-N 0 1 375.513 3.183 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC000720089224 955174115 /nfs/dbraw/zinc/17/41/15/955174115.db2.gz VADWRCGSQQAIGG-GOSISDBHSA-N 0 1 390.549 3.098 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCOc2ccccc2C(=O)[O-])cn1 ZINC000768785934 955318904 /nfs/dbraw/zinc/31/89/04/955318904.db2.gz QOUMZXCVCWOHRS-FQEVSTJZSA-N 0 1 383.423 3.358 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCOc2ccccc2C(=O)[O-])cn1 ZINC000768785934 955318913 /nfs/dbraw/zinc/31/89/13/955318913.db2.gz QOUMZXCVCWOHRS-FQEVSTJZSA-N 0 1 383.423 3.358 20 0 GGADMN C[C@H](CN(C)C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001589022320 955482432 /nfs/dbraw/zinc/48/24/32/955482432.db2.gz NZBYIRBSQOIRQQ-YLJYHZDGSA-N 0 1 386.467 3.206 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000836693088 955557446 /nfs/dbraw/zinc/55/74/46/955557446.db2.gz OGKRSURDSUDAKF-QGZVFWFLSA-N 0 1 392.459 3.428 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535929 955573577 /nfs/dbraw/zinc/57/35/77/955573577.db2.gz KPGWSHZAELKDLT-ZIAGYGMSSA-N 0 1 382.291 3.460 20 0 GGADMN COC(=O)c1c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866582 955582651 /nfs/dbraw/zinc/58/26/51/955582651.db2.gz KMNCYVLVNQQCRA-CYBMUJFWSA-N 0 1 376.428 3.181 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840998497 955587929 /nfs/dbraw/zinc/58/79/29/955587929.db2.gz DVFNOJKEJJQOAJ-LJQANCHMSA-N 0 1 376.888 3.197 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840998497 955587935 /nfs/dbraw/zinc/58/79/35/955587935.db2.gz DVFNOJKEJJQOAJ-LJQANCHMSA-N 0 1 376.888 3.197 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC001594538008 955595916 /nfs/dbraw/zinc/59/59/16/955595916.db2.gz NNRCQUVEDBQSTI-ROUUACIJSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cn1 ZINC001594539441 955618475 /nfs/dbraw/zinc/61/84/75/955618475.db2.gz VJGSVSXBVJXGIL-ROUUACIJSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)cn1 ZINC001594539504 955621040 /nfs/dbraw/zinc/62/10/40/955621040.db2.gz WCODVDDHIOPXGJ-QZTJIDSGSA-N 0 1 399.491 3.066 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@H]3C(=O)[O-])co2)cc1 ZINC001593875829 955668031 /nfs/dbraw/zinc/66/80/31/955668031.db2.gz KNFNLVZQFHSMIE-IBGZPJMESA-N 0 1 392.411 3.312 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@H]3C(=O)[O-])co2)cc1 ZINC001593875829 955668037 /nfs/dbraw/zinc/66/80/37/955668037.db2.gz KNFNLVZQFHSMIE-IBGZPJMESA-N 0 1 392.411 3.312 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)co2)cc1 ZINC001593876010 955670970 /nfs/dbraw/zinc/67/09/70/955670970.db2.gz OLMTZTXMUXMKJJ-LJQANCHMSA-N 0 1 392.411 3.312 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)co2)cc1 ZINC001593876010 955670977 /nfs/dbraw/zinc/67/09/77/955670977.db2.gz OLMTZTXMUXMKJJ-LJQANCHMSA-N 0 1 392.411 3.312 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])cc(=O)oc2c1 ZINC000844835638 955677626 /nfs/dbraw/zinc/67/76/26/955677626.db2.gz MNNKGYOTZDPIPE-OAHLLOKOSA-N 0 1 388.420 3.191 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(OCC(=O)[O-])cc3)CC2)cc1 ZINC000851691512 955800677 /nfs/dbraw/zinc/80/06/77/955800677.db2.gz XNWCOCUVUANGRF-UHFFFAOYSA-N 0 1 396.487 3.231 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000852735029 955842137 /nfs/dbraw/zinc/84/21/37/955842137.db2.gz JBJPCOSMMLDOPG-IIBYNOLFSA-N 0 1 393.487 3.298 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000852735029 955842150 /nfs/dbraw/zinc/84/21/50/955842150.db2.gz JBJPCOSMMLDOPG-IIBYNOLFSA-N 0 1 393.487 3.298 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001594571744 955890553 /nfs/dbraw/zinc/89/05/53/955890553.db2.gz HWWNIZVEUGSOLW-ZDUSSCGKSA-N 0 1 378.270 3.088 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)nc2N(C)C)cc1 ZINC000859814932 955914352 /nfs/dbraw/zinc/91/43/52/955914352.db2.gz KLSNKSBUHYMPDB-HOCLYGCPSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)nc2N(C)C)cc1 ZINC000859814932 955914360 /nfs/dbraw/zinc/91/43/60/955914360.db2.gz KLSNKSBUHYMPDB-HOCLYGCPSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)nc2N(C)C)cc1 ZINC000859814929 955914860 /nfs/dbraw/zinc/91/48/60/955914860.db2.gz KLSNKSBUHYMPDB-GOEBONIOSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)nc2N(C)C)cc1 ZINC000859814929 955914869 /nfs/dbraw/zinc/91/48/69/955914869.db2.gz KLSNKSBUHYMPDB-GOEBONIOSA-N 0 1 390.915 3.443 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001603074715 972141804 /nfs/dbraw/zinc/14/18/04/972141804.db2.gz VSKHCHDHHWLFRA-IAGOWNOFSA-N 0 1 392.496 3.134 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCCOc3cccc(Cl)c3)C2)cn1 ZINC000873644770 956081997 /nfs/dbraw/zinc/08/19/97/956081997.db2.gz GMMUFGOFXRYBLJ-LSDHHAIUSA-N 0 1 377.872 3.033 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)cn1 ZINC000873644543 956082724 /nfs/dbraw/zinc/08/27/24/956082724.db2.gz DKOMKJLZVVGZRJ-HUUCEWRRSA-N 0 1 384.867 3.312 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)cn1 ZINC000873644807 956082767 /nfs/dbraw/zinc/08/27/67/956082767.db2.gz HDJHBZJNHJOLCU-CABCVRRESA-N 0 1 384.867 3.312 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)cn1 ZINC000873644808 956084072 /nfs/dbraw/zinc/08/40/72/956084072.db2.gz HDJHBZJNHJOLCU-GJZGRUSLSA-N 0 1 384.867 3.312 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(F)c(Br)c3)C2)cn1 ZINC000873645476 956089403 /nfs/dbraw/zinc/08/94/03/956089403.db2.gz NZVHQXFLOCMUJS-CHWSQXEVSA-N 0 1 396.260 3.012 20 0 GGADMN Cc1ccc(-c2nc(C[N@H+]3C[C@@H](c4cnn(C)c4)C[C@H](C(=O)[O-])C3)cs2)o1 ZINC000873645904 956090421 /nfs/dbraw/zinc/09/04/21/956090421.db2.gz SSQVMQDNLVLUHC-KBPBESRZSA-N 0 1 386.477 3.135 20 0 GGADMN Cc1c(Br)cccc1C[N@@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873645756 956091735 /nfs/dbraw/zinc/09/17/35/956091735.db2.gz QGEVJOVFCXVSGB-CABCVRRESA-N 0 1 392.297 3.181 20 0 GGADMN Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)o2)cc1 ZINC000873645948 956092577 /nfs/dbraw/zinc/09/25/77/956092577.db2.gz TZGPLGHKTHCOPJ-SJORKVTESA-N 0 1 380.448 3.074 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(SC(F)F)cc3)C2)cn1 ZINC000873646159 956093786 /nfs/dbraw/zinc/09/37/86/956093786.db2.gz XRLRORKFEMGZCM-KGLIPLIRSA-N 0 1 381.448 3.425 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)cn1 ZINC000874049026 956112909 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/nfs/dbraw/zinc/95/47/41/957954741.db2.gz ORWDJIBIQMLHPB-QAJUQPOASA-N 0 1 393.487 3.119 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001341241898 957954919 /nfs/dbraw/zinc/95/49/19/957954919.db2.gz ORWDJIBIQMLHPB-IDCXYZFESA-N 0 1 393.487 3.119 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001341447879 957998537 /nfs/dbraw/zinc/99/85/37/957998537.db2.gz ABQZSJJYVMODBT-RBUKOAKNSA-N 0 1 395.459 3.256 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001341447881 957998703 /nfs/dbraw/zinc/99/87/03/957998703.db2.gz ABQZSJJYVMODBT-RTBURBONSA-N 0 1 395.459 3.256 20 0 GGADMN Cc1cc(N2CCC[C@@H]([N@H+]3CCC[C@H](C(=O)[O-])C3)C2=O)ccc1Br ZINC001594312063 958042469 /nfs/dbraw/zinc/04/24/69/958042469.db2.gz XYTGWIYWXCIWMM-XJKSGUPXSA-N 0 1 395.297 3.050 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)Cc2ccccc21 ZINC001345754390 958055022 /nfs/dbraw/zinc/05/50/22/958055022.db2.gz CBFOLKMJKUCOKO-SFTDATJTSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)Cc2ccccc21 ZINC001345754390 958055036 /nfs/dbraw/zinc/05/50/36/958055036.db2.gz CBFOLKMJKUCOKO-SFTDATJTSA-N 0 1 396.462 3.391 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cs1 ZINC001348909966 958084560 /nfs/dbraw/zinc/08/45/60/958084560.db2.gz TVWYWDSYBSUNSH-RBZFPXEDSA-N 0 1 399.516 3.193 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cs1 ZINC001348909966 958084567 /nfs/dbraw/zinc/08/45/67/958084567.db2.gz TVWYWDSYBSUNSH-RBZFPXEDSA-N 0 1 399.516 3.193 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988539 958131636 /nfs/dbraw/zinc/13/16/36/958131636.db2.gz NOISEXWRCOJNGJ-ZHFAOOELSA-N 0 1 393.487 3.434 20 0 GGADMN COc1cc(OC)c(NC(=O)CC[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1Cl ZINC001594066305 958133620 /nfs/dbraw/zinc/13/36/20/958133620.db2.gz BSSKQKDGZVTWRV-LBPRGKRZSA-N 0 1 384.860 3.015 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001353015836 958136086 /nfs/dbraw/zinc/13/60/86/958136086.db2.gz RBJMWYKCAJVMHI-HBGVWJBISA-N 0 1 393.487 3.043 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001353128357 958143984 /nfs/dbraw/zinc/14/39/84/958143984.db2.gz ZRIGTUUFHBEDEJ-YZGWKJHDSA-N 0 1 387.524 3.041 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)o1 ZINC001594069404 958168888 /nfs/dbraw/zinc/16/88/88/958168888.db2.gz DZJJQBNFUULVOZ-BBRMVZONSA-N 0 1 381.432 3.441 20 0 GGADMN CC[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC001521150573 958212395 /nfs/dbraw/zinc/21/23/95/958212395.db2.gz ANWYHHRZHRVFOO-INIZCTEOSA-N 0 1 375.513 3.361 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001521240227 958231501 /nfs/dbraw/zinc/23/15/01/958231501.db2.gz CFMHAKLAWMNCRP-PMACEKPBSA-N 0 1 387.524 3.453 20 0 GGADMN COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594089102 958341124 /nfs/dbraw/zinc/34/11/24/958341124.db2.gz KKUDREARDSNDIJ-ROUUACIJSA-N 0 1 384.476 3.406 20 0 GGADMN COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594089104 958341780 /nfs/dbraw/zinc/34/17/80/958341780.db2.gz KKUDREARDSNDIJ-ZWKOTPCHSA-N 0 1 384.476 3.406 20 0 GGADMN COc1ccc(C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)c(Br)c1O ZINC001594094257 958385344 /nfs/dbraw/zinc/38/53/44/958385344.db2.gz DLFVRTJVDOUHIW-KRWDZBQOSA-N 0 1 380.238 3.253 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)s1 ZINC001594360319 958443059 /nfs/dbraw/zinc/44/30/59/958443059.db2.gz UAJBKGXNJGYONX-OXJNMPFZSA-N 0 1 376.522 3.148 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](NCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360350 958444113 /nfs/dbraw/zinc/44/41/13/958444113.db2.gz VQGDKJSDIGGJLG-PMACEKPBSA-N 0 1 397.519 3.253 20 0 GGADMN Cc1ccc(C[N@H+]2CC[C@H](NCc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360350 958444124 /nfs/dbraw/zinc/44/41/24/958444124.db2.gz VQGDKJSDIGGJLG-PMACEKPBSA-N 0 1 397.519 3.253 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3C[C@H](C)C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC001594369646 958536929 /nfs/dbraw/zinc/53/69/29/958536929.db2.gz IODUPEUQFVZCRK-CABCVRRESA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(OC(F)F)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594374838 958578510 /nfs/dbraw/zinc/57/85/10/958578510.db2.gz RYSHJVRVTRANFC-UKRRQHHQSA-N 0 1 379.407 3.020 20 0 GGADMN Cc1ccc(OC(F)F)c(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594374836 958578988 /nfs/dbraw/zinc/57/89/88/958578988.db2.gz RYSHJVRVTRANFC-HIFRSBDPSA-N 0 1 379.407 3.020 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+](C)CCCC(=O)[O-] ZINC001573362237 958596047 /nfs/dbraw/zinc/59/60/47/958596047.db2.gz BNGQMYZWLBNCRY-JTQLQIEISA-N 0 1 383.420 3.212 20 0 GGADMN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2CCCC(=O)[O-])c1 ZINC001594124717 958627891 /nfs/dbraw/zinc/62/78/91/958627891.db2.gz FACNCHYPQZZGMA-KRWDZBQOSA-N 0 1 378.469 3.154 20 0 GGADMN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2CCCC(=O)[O-])c1 ZINC001594124717 958627904 /nfs/dbraw/zinc/62/79/04/958627904.db2.gz FACNCHYPQZZGMA-KRWDZBQOSA-N 0 1 378.469 3.154 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1)c1ccccc1 ZINC001588492463 958654393 /nfs/dbraw/zinc/65/43/93/958654393.db2.gz JGMMZXFXLPKCLV-ZWKOTPCHSA-N 0 1 385.489 3.370 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1)c1ccccc1 ZINC001588492463 958654401 /nfs/dbraw/zinc/65/44/01/958654401.db2.gz JGMMZXFXLPKCLV-ZWKOTPCHSA-N 0 1 385.489 3.370 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)cc3C(=O)[O-])CC[C@@H]21 ZINC000391761347 972367911 /nfs/dbraw/zinc/36/79/11/972367911.db2.gz IAACOJSNNORVPW-ABAIWWIYSA-N 0 1 396.285 3.095 20 0 GGADMN O=C([O-])C1(CC[N@H+]2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CCC1 ZINC001605732110 972369675 /nfs/dbraw/zinc/36/96/75/972369675.db2.gz WEPVYRKUZJESPX-CABCVRRESA-N 0 1 390.446 3.287 20 0 GGADMN COc1ccccc1-c1nnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)o1 ZINC001594139171 958724707 /nfs/dbraw/zinc/72/47/07/958724707.db2.gz IOIBZYFMIRRFSN-DLBZAZTESA-N 0 1 379.416 3.045 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406871 958734785 /nfs/dbraw/zinc/73/47/85/958734785.db2.gz HVCANTXQVUTGSE-QVKFZJNVSA-N 0 1 376.472 3.269 20 0 GGADMN C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239653 972381653 /nfs/dbraw/zinc/38/16/53/972381653.db2.gz UYUCVIUNPSGOOL-AFAVFJNCSA-N 0 1 383.492 3.021 20 0 GGADMN C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239653 972381664 /nfs/dbraw/zinc/38/16/64/972381664.db2.gz UYUCVIUNPSGOOL-AFAVFJNCSA-N 0 1 383.492 3.021 20 0 GGADMN C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239654 972382056 /nfs/dbraw/zinc/38/20/56/972382056.db2.gz UYUCVIUNPSGOOL-OAUYIBNBSA-N 0 1 383.492 3.021 20 0 GGADMN C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239654 972382067 /nfs/dbraw/zinc/38/20/67/972382067.db2.gz UYUCVIUNPSGOOL-OAUYIBNBSA-N 0 1 383.492 3.021 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(CCC(=O)[O-])c3)CC2)c1 ZINC001594404442 958890430 /nfs/dbraw/zinc/89/04/30/958890430.db2.gz VOPLNAKRQZJDOG-UHFFFAOYSA-N 0 1 381.476 3.362 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(Br)c1 ZINC000391890573 972387177 /nfs/dbraw/zinc/38/71/77/972387177.db2.gz ATNISDJXPJDATP-AWEZNQCLSA-N 0 1 396.203 3.427 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(Br)c1 ZINC000391890573 972387187 /nfs/dbraw/zinc/38/71/87/972387187.db2.gz ATNISDJXPJDATP-AWEZNQCLSA-N 0 1 396.203 3.427 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588551701 959027546 /nfs/dbraw/zinc/02/75/46/959027546.db2.gz LAUMILNWJMZXLW-YRNRMSPPSA-N 0 1 378.472 3.427 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588551700 959028128 /nfs/dbraw/zinc/02/81/28/959028128.db2.gz LAUMILNWJMZXLW-RZQQEMMASA-N 0 1 378.472 3.427 20 0 GGADMN Cc1ccccc1N1CC[NH+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001594418143 959031581 /nfs/dbraw/zinc/03/15/81/959031581.db2.gz NODJTSJPBYWMRM-SFHVURJKSA-N 0 1 383.492 3.211 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573516756 959102454 /nfs/dbraw/zinc/10/24/54/959102454.db2.gz GVAJKNCZZICXNP-QHAWAJNXSA-N 0 1 386.536 3.289 20 0 GGADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001573547420 959216598 /nfs/dbraw/zinc/21/65/98/959216598.db2.gz OPDPVJHUWBREGW-CJNGLKHVSA-N 0 1 395.297 3.227 20 0 GGADMN 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001594476910 959607035 /nfs/dbraw/zinc/60/70/35/959607035.db2.gz QHRUVWCQHYJZJY-QGZVFWFLSA-N 0 1 384.480 3.004 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001594476910 959607047 /nfs/dbraw/zinc/60/70/47/959607047.db2.gz QHRUVWCQHYJZJY-QGZVFWFLSA-N 0 1 384.480 3.004 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573641274 959612023 /nfs/dbraw/zinc/61/20/23/959612023.db2.gz BLURCTSKECNURZ-TUKIKUTGSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573641274 959612032 /nfs/dbraw/zinc/61/20/32/959612032.db2.gz BLURCTSKECNURZ-TUKIKUTGSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@]12CN(C(=O)C3(C(=O)[O-])CCCCC3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001573689733 959764495 /nfs/dbraw/zinc/76/44/95/959764495.db2.gz ROEAVAWQDFAPCO-SZPZYZBQSA-N 0 1 384.520 3.392 20 0 GGADMN Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br 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CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001588923379 962416770 /nfs/dbraw/zinc/41/67/70/962416770.db2.gz VUWFZPGXAOOHSZ-UHFFFAOYSA-N 0 1 392.459 3.140 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000263309276 962451361 /nfs/dbraw/zinc/45/13/61/962451361.db2.gz YHRRHOAAFOHUNM-MSOLQXFVSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000263309276 962451378 /nfs/dbraw/zinc/45/13/78/962451378.db2.gz YHRRHOAAFOHUNM-MSOLQXFVSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000263309278 962451724 /nfs/dbraw/zinc/45/17/24/962451724.db2.gz YHRRHOAAFOHUNM-ROUUACIJSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000263309278 962451739 /nfs/dbraw/zinc/45/17/39/962451739.db2.gz YHRRHOAAFOHUNM-ROUUACIJSA-N 0 1 387.867 3.283 20 0 GGADMN CO[C@H](C)c1nc(C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cs1 ZINC001349613333 962479329 /nfs/dbraw/zinc/47/93/29/962479329.db2.gz KPLNMUKKIAQELF-KMUNFCNLSA-N 0 1 382.432 3.429 20 0 GGADMN CO[C@H](C)c1nc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cs1 ZINC001349613333 962479351 /nfs/dbraw/zinc/47/93/51/962479351.db2.gz KPLNMUKKIAQELF-KMUNFCNLSA-N 0 1 382.432 3.429 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1c1ccc(F)cc1F ZINC001349616059 962482070 /nfs/dbraw/zinc/48/20/70/962482070.db2.gz YDEFYZFYJQDNLH-JKSUJKDBSA-N 0 1 385.370 3.315 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC001574665323 962501178 /nfs/dbraw/zinc/50/11/78/962501178.db2.gz DIEKAHSPTOXYSK-LIJCLNOJSA-N 0 1 394.471 3.408 20 0 GGADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]2C(=O)[O-])n1 ZINC000263378956 962537226 /nfs/dbraw/zinc/53/72/26/962537226.db2.gz CBFGJKVVYLZGJR-OAHLLOKOSA-N 0 1 382.489 3.473 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000263398801 962558878 /nfs/dbraw/zinc/55/88/78/962558878.db2.gz HKLCRPXVKWNTPK-GFCCVEGCSA-N 0 1 379.254 3.328 20 0 GGADMN CN(C(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000263436548 962613357 /nfs/dbraw/zinc/61/33/57/962613357.db2.gz UTGVANCLVLQWED-FQEVSTJZSA-N 0 1 381.476 3.163 20 0 GGADMN CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000263442803 962623478 /nfs/dbraw/zinc/62/34/78/962623478.db2.gz WZVNNNCEFUBMAX-FQEVSTJZSA-N 0 1 381.476 3.163 20 0 GGADMN CCOc1c(Br)cc(Br)cc1C[N@@H+](C)CC(=O)[O-] ZINC000263445547 962628180 /nfs/dbraw/zinc/62/81/80/962628180.db2.gz XSBXJYFOMLPFIA-UHFFFAOYSA-N 0 1 381.064 3.127 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000263459160 962645301 /nfs/dbraw/zinc/64/53/01/962645301.db2.gz BHXTXNFKATZSBZ-QGZVFWFLSA-N 0 1 378.270 3.240 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000263459157 962645665 /nfs/dbraw/zinc/64/56/65/962645665.db2.gz BHXTXNFKATZSBZ-KRWDZBQOSA-N 0 1 378.270 3.240 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000263578661 962745508 /nfs/dbraw/zinc/74/55/08/962745508.db2.gz SWKOSKFPRFGCRN-SPOWBLRKSA-N 0 1 380.847 3.302 20 0 GGADMN COc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001574182176 962817609 /nfs/dbraw/zinc/81/76/09/962817609.db2.gz RAEIDSYJSSPVMT-KBPBESRZSA-N 0 1 397.397 3.138 20 0 GGADMN COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Br)cn1 ZINC001574185619 962829326 /nfs/dbraw/zinc/82/93/26/962829326.db2.gz VVZUNNZPLLVOTF-LSDHHAIUSA-N 0 1 391.265 3.153 20 0 GGADMN Cc1ccc(C)c(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001526687359 962875085 /nfs/dbraw/zinc/87/50/85/962875085.db2.gz APZQBHJIKNQZGD-QHCPKHFHSA-N 0 1 380.488 3.082 20 0 GGADMN Cc1ccc(C[C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001526703872 962876046 /nfs/dbraw/zinc/87/60/46/962876046.db2.gz COAHZUOPDNGTDQ-DVECYGJZSA-N 0 1 394.515 3.409 20 0 GGADMN Cc1cc(C(F)F)oc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001526711601 962877286 /nfs/dbraw/zinc/87/72/86/962877286.db2.gz NJRNACFIUVFPQL-FQEVSTJZSA-N 0 1 392.402 3.375 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC001574201671 962887275 /nfs/dbraw/zinc/88/72/75/962887275.db2.gz DGVMHRRPKWPSNQ-MRXNPFEDSA-N 0 1 392.496 3.243 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1(c3ccccc3)CCCCC1)C2 ZINC000296603726 962913407 /nfs/dbraw/zinc/91/34/07/962913407.db2.gz YQNMBCYXTNXSTG-CVDCTZTESA-N 0 1 384.520 3.191 20 0 GGADMN CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cs1)c1cccc(Cl)c1 ZINC001573344524 962920207 /nfs/dbraw/zinc/92/02/07/962920207.db2.gz DVJFCIQWFHWKIP-AULYBMBSSA-N 0 1 379.869 3.434 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC001549036264 962927683 /nfs/dbraw/zinc/92/76/83/962927683.db2.gz JIGULCNCFJNSPT-HUUCEWRRSA-N 0 1 376.815 3.218 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC001549036264 962927692 /nfs/dbraw/zinc/92/76/92/962927692.db2.gz JIGULCNCFJNSPT-HUUCEWRRSA-N 0 1 376.815 3.218 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001549036613 962932684 /nfs/dbraw/zinc/93/26/84/962932684.db2.gz LMONVEKYEUKFJX-VHKYSDTDSA-N 0 1 380.444 3.016 20 0 GGADMN Cc1ccnc(-c2noc(C[N@@H+]3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)n2)c1 ZINC001553745942 963051424 /nfs/dbraw/zinc/05/14/24/963051424.db2.gz IPLJMPCRILHCKG-JKSUJKDBSA-N 0 1 398.850 3.394 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000312432039 963561613 /nfs/dbraw/zinc/56/16/13/963561613.db2.gz VWXFFBCLOAMSPC-GFCCVEGCSA-N 0 1 377.391 3.305 20 0 GGADMN CC(C)(CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000312679765 963584782 /nfs/dbraw/zinc/58/47/82/963584782.db2.gz MYUXBEOZGRCCGP-SFHVURJKSA-N 0 1 375.513 3.089 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(I)c1 ZINC000314132751 963715911 /nfs/dbraw/zinc/71/59/11/963715911.db2.gz LZNAZPVBUFUTLW-MRXNPFEDSA-N 0 1 393.224 3.303 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(I)c1 ZINC000314132751 963715915 /nfs/dbraw/zinc/71/59/15/963715915.db2.gz LZNAZPVBUFUTLW-MRXNPFEDSA-N 0 1 393.224 3.303 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(I)c1 ZINC000314132748 963716404 /nfs/dbraw/zinc/71/64/04/963716404.db2.gz LZNAZPVBUFUTLW-INIZCTEOSA-N 0 1 393.224 3.303 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(I)c1 ZINC000314132748 963716410 /nfs/dbraw/zinc/71/64/10/963716410.db2.gz LZNAZPVBUFUTLW-INIZCTEOSA-N 0 1 393.224 3.303 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000263225413 967863537 /nfs/dbraw/zinc/86/35/37/967863537.db2.gz ZXURUGSEUPJYTP-WMZOPIPTSA-N 0 1 376.472 3.141 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000263334585 967873711 /nfs/dbraw/zinc/87/37/11/967873711.db2.gz MERVMIVSOGUQFS-DZGCQCFKSA-N 0 1 390.867 3.259 20 0 GGADMN CC1(C)CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000263343458 967876853 /nfs/dbraw/zinc/87/68/53/967876853.db2.gz FZYFTLPPORISIS-UHFFFAOYSA-N 0 1 381.476 3.191 20 0 GGADMN C[C@@H](CN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000263366834 967880340 /nfs/dbraw/zinc/88/03/40/967880340.db2.gz LSIUTEIVZIZEOY-DZFGPLHGSA-N 0 1 395.503 3.017 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603647 968099100 /nfs/dbraw/zinc/09/91/00/968099100.db2.gz PIKCEXQCKJYJPO-HKUYNNGSSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000424261823 968354705 /nfs/dbraw/zinc/35/47/05/968354705.db2.gz PMHARSZTLLBZAM-APWZRJJASA-N 0 1 387.505 3.068 20 0 GGADMN C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H]1C(=O)[O-] ZINC000424272684 968356493 /nfs/dbraw/zinc/35/64/93/968356493.db2.gz UPXPJXCTABTKJN-VGOFRKELSA-N 0 1 396.487 3.067 20 0 GGADMN C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H]1C(=O)[O-] ZINC000424272684 968356499 /nfs/dbraw/zinc/35/64/99/968356499.db2.gz UPXPJXCTABTKJN-VGOFRKELSA-N 0 1 396.487 3.067 20 0 GGADMN CCC(CC)(CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424409001 968364293 /nfs/dbraw/zinc/36/42/93/968364293.db2.gz FYNBGCFWYFWFKB-UHFFFAOYSA-N 0 1 395.931 3.448 20 0 GGADMN CCC(CC)(CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424409001 968364304 /nfs/dbraw/zinc/36/43/04/968364304.db2.gz FYNBGCFWYFWFKB-UHFFFAOYSA-N 0 1 395.931 3.448 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000514309295 968388694 /nfs/dbraw/zinc/38/86/94/968388694.db2.gz PUESOOPDUNVBAW-LSDHHAIUSA-N 0 1 379.526 3.384 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000562616440 968412635 /nfs/dbraw/zinc/41/26/35/968412635.db2.gz VGSQEWRENAMRLX-DLBZAZTESA-N 0 1 394.471 3.431 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000562616440 968412643 /nfs/dbraw/zinc/41/26/43/968412643.db2.gz VGSQEWRENAMRLX-DLBZAZTESA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000563123776 968414823 /nfs/dbraw/zinc/41/48/23/968414823.db2.gz GKVAZHJCHXEZQB-PXNSSMCTSA-N 0 1 396.487 3.067 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000564084319 968418336 /nfs/dbraw/zinc/41/83/36/968418336.db2.gz MMTDOWMVVPSITL-MLGOLLRUSA-N 0 1 376.478 3.370 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000568626066 968438782 /nfs/dbraw/zinc/43/87/82/968438782.db2.gz NXQJSYORYGGPNO-BWPNAZKDSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000570160525 968442674 /nfs/dbraw/zinc/44/26/74/968442674.db2.gz CYVKFUDSNXBPBD-OXFYSEKESA-N 0 1 386.517 3.386 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000571981408 968447744 /nfs/dbraw/zinc/44/77/44/968447744.db2.gz YXCCGJBIULIZFU-FXAWDEMLSA-N 0 1 387.524 3.457 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000571981411 968447869 /nfs/dbraw/zinc/44/78/69/968447869.db2.gz YXCCGJBIULIZFU-YLJYHZDGSA-N 0 1 387.524 3.457 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000575867791 968458366 /nfs/dbraw/zinc/45/83/66/968458366.db2.gz AIBAHKWOHGKTBM-UKRRQHHQSA-N 0 1 390.867 3.401 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000581949110 968476317 /nfs/dbraw/zinc/47/63/17/968476317.db2.gz OHOAYACTSUHSJE-DIFFPNOSSA-N 0 1 399.369 3.240 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000583023275 968479448 /nfs/dbraw/zinc/47/94/48/968479448.db2.gz ZQHARSVKOVNQML-FUHIMQAGSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000626745332 968514940 /nfs/dbraw/zinc/51/49/40/968514940.db2.gz IVNMNPBVFCXTOY-MBOZVWFJSA-N 0 1 387.524 3.313 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000635020390 968540998 /nfs/dbraw/zinc/54/09/98/968540998.db2.gz MUXXBDZPYVMSHZ-AOMKIAJQSA-N 0 1 398.459 3.229 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC000635530190 968551095 /nfs/dbraw/zinc/55/10/95/968551095.db2.gz SFCVMYWUNPOCHB-MISYRCLQSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000647367626 968573112 /nfs/dbraw/zinc/57/31/12/968573112.db2.gz YAIFAIHWHGKNRU-CEQIKUNHSA-N 0 1 398.528 3.407 20 0 GGADMN O=C([O-])CC[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000647366725 968573944 /nfs/dbraw/zinc/57/39/44/968573944.db2.gz GZBPSWWRNWROSC-UHFFFAOYSA-N 0 1 375.387 3.430 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)CC1CC1 ZINC000650509926 968601998 /nfs/dbraw/zinc/60/19/98/968601998.db2.gz BNJCMEASXKPMBY-UHFFFAOYSA-N 0 1 379.460 3.116 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)CC1CC1 ZINC000650509926 968602004 /nfs/dbraw/zinc/60/20/04/968602004.db2.gz BNJCMEASXKPMBY-UHFFFAOYSA-N 0 1 379.460 3.116 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000652438025 968634694 /nfs/dbraw/zinc/63/46/94/968634694.db2.gz QRXXSGOLIVMURC-BFHRDPOASA-N 0 1 387.398 3.085 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000652470606 968634901 /nfs/dbraw/zinc/63/49/01/968634901.db2.gz BXMIOAYQFLCLTO-YJBOKZPZSA-N 0 1 395.377 3.129 20 0 GGADMN CCC(CC)(C(=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653286803 968639190 /nfs/dbraw/zinc/63/91/90/968639190.db2.gz FJPOTGUSCRZQOS-XJKSGUPXSA-N 0 1 384.879 3.479 20 0 GGADMN Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000653309941 968650597 /nfs/dbraw/zinc/65/05/97/968650597.db2.gz PQOKSULKRLHHSY-JOCHJYFZSA-N 0 1 399.491 3.169 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655859826 968694068 /nfs/dbraw/zinc/69/40/68/968694068.db2.gz DMTOKMDEXVZGBN-ZYSHUDEJSA-N 0 1 389.540 3.461 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(=O)[O-] ZINC000655860803 968695426 /nfs/dbraw/zinc/69/54/26/968695426.db2.gz MEFMBEYZNSBRCO-VQIMIIECSA-N 0 1 375.513 3.217 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655863856 968697309 /nfs/dbraw/zinc/69/73/09/968697309.db2.gz QSGVUBSGBPGKEH-WZGPROSRSA-N 0 1 387.524 3.086 20 0 GGADMN C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655874296 968701979 /nfs/dbraw/zinc/70/19/79/968701979.db2.gz XMAWFSGUOLXPCT-ZDMKNRLGSA-N 0 1 387.524 3.084 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000655894328 968708762 /nfs/dbraw/zinc/70/87/62/968708762.db2.gz KTXKTUXKRRXMGC-HSALFYBXSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906714 968714346 /nfs/dbraw/zinc/71/43/46/968714346.db2.gz NFTHBHWYAAKCGQ-VPAKFMSCSA-N 0 1 393.572 3.418 20 0 GGADMN CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)CC(=O)[O-] ZINC000659393994 968730647 /nfs/dbraw/zinc/73/06/47/968730647.db2.gz IIPYYLMELAQEJU-KRWDZBQOSA-N 0 1 389.540 3.260 20 0 GGADMN O=C([O-])COc1cccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000659750956 968742304 /nfs/dbraw/zinc/74/23/04/968742304.db2.gz FJDVIVKKHQORHG-UHFFFAOYSA-N 0 1 389.477 3.235 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000662223453 968756774 /nfs/dbraw/zinc/75/67/74/968756774.db2.gz NIUXPUVEBIZFFG-NHCUHLMSSA-N 0 1 378.472 3.254 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662227412 968758747 /nfs/dbraw/zinc/75/87/47/968758747.db2.gz MZIYLLWYZRMQCY-UHFFFAOYSA-N 0 1 386.496 3.250 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000666531133 968840105 /nfs/dbraw/zinc/84/01/05/968840105.db2.gz TVJUBCFFWDDLJU-QGZVFWFLSA-N 0 1 399.491 3.308 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000666531133 968840115 /nfs/dbraw/zinc/84/01/15/968840115.db2.gz TVJUBCFFWDDLJU-QGZVFWFLSA-N 0 1 399.491 3.308 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666547543 968843267 /nfs/dbraw/zinc/84/32/67/968843267.db2.gz BXPLDDPAHBURTJ-INIZCTEOSA-N 0 1 375.513 3.394 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666561696 968845074 /nfs/dbraw/zinc/84/50/74/968845074.db2.gz AZIRLLVSRNBONY-FQEVSTJZSA-N 0 1 395.503 3.438 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC000720089227 969109204 /nfs/dbraw/zinc/10/92/04/969109204.db2.gz VADWRCGSQQAIGG-SFHVURJKSA-N 0 1 390.549 3.098 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000844835300 969248044 /nfs/dbraw/zinc/24/80/44/969248044.db2.gz LJKKXOCXQJIMAR-QGZVFWFLSA-N 0 1 395.459 3.207 20 0 GGADMN CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852733433 969290341 /nfs/dbraw/zinc/29/03/41/969290341.db2.gz QDNLMRRJACFYGF-HUUCEWRRSA-N 0 1 386.414 3.080 20 0 GGADMN CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852733433 969290345 /nfs/dbraw/zinc/29/03/45/969290345.db2.gz QDNLMRRJACFYGF-HUUCEWRRSA-N 0 1 386.414 3.080 20 0 GGADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000873642964 969356422 /nfs/dbraw/zinc/35/64/22/969356422.db2.gz BAOHEUQGPAPIEK-WIYYLYMNSA-N 0 1 394.471 3.171 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](CCOc3ccccc3C(F)(F)F)C2)cn1 ZINC000873644804 969360219 /nfs/dbraw/zinc/36/02/19/969360219.db2.gz HALLSFOJOVBOFE-KGLIPLIRSA-N 0 1 397.397 3.008 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(Sc4ccccn4)o3)C2)cn1 ZINC000874048176 969364587 /nfs/dbraw/zinc/36/45/87/969364587.db2.gz LUADFHJCUYBMQO-GJZGRUSLSA-N 0 1 398.488 3.250 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000874051618 969368129 /nfs/dbraw/zinc/36/81/29/969368129.db2.gz RAZUEKKEANZOHY-HZPDHXFCSA-N 0 1 381.432 3.496 20 0 GGADMN C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874398020 969378013 /nfs/dbraw/zinc/37/80/13/969378013.db2.gz GVFSUSCLPUIFDW-APWZRJJASA-N 0 1 381.476 3.095 20 0 GGADMN C[C@]1(CNC(=O)NCc2ccccc2C(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000874402176 969381921 /nfs/dbraw/zinc/38/19/21/969381921.db2.gz YHNONLAYHPPFRX-JOCHJYFZSA-N 0 1 381.476 3.096 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410204 969388539 /nfs/dbraw/zinc/38/85/39/969388539.db2.gz MOEVWPHNJJKPIE-GOSISDBHSA-N 0 1 381.476 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000874413540 969392163 /nfs/dbraw/zinc/39/21/63/969392163.db2.gz MDYNJALNUZQGFD-KRWDZBQOSA-N 0 1 381.476 3.048 20 0 GGADMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000901464288 969432742 /nfs/dbraw/zinc/43/27/42/969432742.db2.gz HFMKBZHHFHKEKZ-LEWJYISDSA-N 0 1 392.499 3.101 20 0 GGADMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000901464289 969432982 /nfs/dbraw/zinc/43/29/82/969432982.db2.gz HFMKBZHHFHKEKZ-NHCUHLMSSA-N 0 1 392.499 3.101 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901926112 969493401 /nfs/dbraw/zinc/49/34/01/969493401.db2.gz SPXYZAAUCSYVFM-GIFJBRJJSA-N 0 1 382.460 3.362 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901926108 969493502 /nfs/dbraw/zinc/49/35/02/969493502.db2.gz SPXYZAAUCSYVFM-CNZFZVQHSA-N 0 1 382.460 3.362 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc2)C1 ZINC000901927415 969493530 /nfs/dbraw/zinc/49/35/30/969493530.db2.gz KHLGNZKNZIMRPQ-HNNXBMFYSA-N 0 1 388.508 3.483 20 0 GGADMN O=C([O-])C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCC1 ZINC000902085064 969515998 /nfs/dbraw/zinc/51/59/98/969515998.db2.gz CXVCPIALRDOEQU-QZTJIDSGSA-N 0 1 398.528 3.335 20 0 GGADMN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000902627425 969552246 /nfs/dbraw/zinc/55/22/46/969552246.db2.gz KLJHYFJIGUIUGQ-FQEVSTJZSA-N 0 1 384.451 3.362 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)C[C@@H]2C(=O)[O-] ZINC000903415913 969579526 /nfs/dbraw/zinc/57/95/26/969579526.db2.gz MGXZEDQSUWSWCO-RDYUPDBUSA-N 0 1 395.883 3.213 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(-c3ccc(F)cc3)o1)C[C@@H]2C(=O)[O-] ZINC000903693629 969587876 /nfs/dbraw/zinc/58/78/76/969587876.db2.gz ITNWZTDMHGNVMJ-CXJKMVGQSA-N 0 1 387.407 3.172 20 0 GGADMN C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000907680968 969613064 /nfs/dbraw/zinc/61/30/64/969613064.db2.gz FTJPOQFPZSNCJZ-LOCCHRAXSA-N 0 1 392.499 3.056 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000911555291 969639322 /nfs/dbraw/zinc/63/93/22/969639322.db2.gz JDYKHIWJXHMBIT-VHAAWKESSA-N 0 1 394.471 3.408 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000923467067 969650260 /nfs/dbraw/zinc/65/02/60/969650260.db2.gz LCCIXLYNCMGACG-PXAZEXFGSA-N 0 1 383.286 3.353 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000923469021 969652063 /nfs/dbraw/zinc/65/20/63/969652063.db2.gz CUNOVXYFNPJBBN-NRFANRHFSA-N 0 1 390.499 3.331 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000923472167 969653476 /nfs/dbraw/zinc/65/34/76/969653476.db2.gz UMUWEPKDZXDPER-OXQOHEQNSA-N 0 1 396.434 3.360 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001120476074 969675776 /nfs/dbraw/zinc/67/57/76/969675776.db2.gz SICFQMMJZJZAGX-LPHOPBHVSA-N 0 1 381.904 3.229 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001122291857 969685943 /nfs/dbraw/zinc/68/59/43/969685943.db2.gz PBUNMQYYIWQFKV-DYESRHJHSA-N 0 1 376.472 3.141 20 0 GGADMN Cc1cc(Br)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)s1 ZINC001332337832 969721809 /nfs/dbraw/zinc/72/18/09/969721809.db2.gz VLAWTNXJNFEZJL-RYUDHWBXSA-N 0 1 398.326 3.243 20 0 GGADMN Cc1cc(Br)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)s1 ZINC001332337833 969722129 /nfs/dbraw/zinc/72/21/29/969722129.db2.gz VLAWTNXJNFEZJL-VXGBXAGGSA-N 0 1 398.326 3.243 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001341241504 969747812 /nfs/dbraw/zinc/74/78/12/969747812.db2.gz KYWVFYBQCVBWGQ-YDPGBSGYSA-N 0 1 393.487 3.262 20 0 GGADMN 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3.265 20 0 GGADMN COc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417702019 973967208 /nfs/dbraw/zinc/96/72/08/973967208.db2.gz KDYLUIUCZWLBIF-UHFFFAOYSA-N 0 1 378.432 3.141 20 0 GGADMN O=C([O-])c1ccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)nc1C1CC1 ZINC000417708475 973967619 /nfs/dbraw/zinc/96/76/19/973967619.db2.gz SBRXUPPBMWDKAR-UHFFFAOYSA-N 0 1 392.358 3.277 20 0 GGADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001604772967 973997090 /nfs/dbraw/zinc/99/70/90/973997090.db2.gz YSRQWNCKSHHPGA-IRXDYDNUSA-N 0 1 392.496 3.100 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001604772966 973997150 /nfs/dbraw/zinc/99/71/50/973997150.db2.gz YSRQWNCKSHHPGA-DLBZAZTESA-N 0 1 392.496 3.100 20 0 GGADMN CCC(CC)(CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000424377980 974022470 /nfs/dbraw/zinc/02/24/70/974022470.db2.gz FMFPHYJWPKCMII-HNNXBMFYSA-N 0 1 377.485 3.092 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001606523017 974025442 /nfs/dbraw/zinc/02/54/42/974025442.db2.gz VQDKSGASUWJCAU-IYARVYRRSA-N 0 1 385.460 3.275 20 0 GGADMN CCC(CC)(CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000424433352 974033070 /nfs/dbraw/zinc/03/30/70/974033070.db2.gz RQKZKTMGHKSAHE-NRFANRHFSA-N 0 1 387.524 3.185 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC001603667736 974043254 /nfs/dbraw/zinc/04/32/54/974043254.db2.gz LFIBIRCSXNWQSO-GFCCVEGCSA-N 0 1 392.443 3.459 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001606529295 974045672 /nfs/dbraw/zinc/04/56/72/974045672.db2.gz SXQKZVJHIPLGKD-JOCHJYFZSA-N 0 1 381.428 3.264 20 0 GGADMN CCC[N@H+]1Cc2cccc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)c2C1 ZINC001603674384 974057808 /nfs/dbraw/zinc/05/78/08/974057808.db2.gz IIUDJVRYHYVJLG-HXUWFJFHSA-N 0 1 392.459 3.070 20 0 GGADMN COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)CCO2 ZINC001604843606 974085953 /nfs/dbraw/zinc/08/59/53/974085953.db2.gz KLTMUCXYPQXDMM-KBXCAEBGSA-N 0 1 386.448 3.203 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455920098 974169102 /nfs/dbraw/zinc/16/91/02/974169102.db2.gz FDDOGPUPGJJGFE-DZFGPLHGSA-N 0 1 380.488 3.099 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@@H]1C ZINC001603760569 974207433 /nfs/dbraw/zinc/20/74/33/974207433.db2.gz ZMWBNVVEOLBZIJ-WCQYABFASA-N 0 1 398.301 3.484 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000514732042 974291858 /nfs/dbraw/zinc/29/18/58/974291858.db2.gz ZJUJOZLLKDVCEH-ICSRJNTNSA-N 0 1 393.405 3.337 20 0 GGADMN Cc1ccc(S(=O)(=O)CCC[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000514730776 974291976 /nfs/dbraw/zinc/29/19/76/974291976.db2.gz UUJCOPYQDWGORP-SFHVURJKSA-N 0 1 389.517 3.382 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCOCC1 ZINC000515059105 974295741 /nfs/dbraw/zinc/29/57/41/974295741.db2.gz HEWJXJCRRLLDOW-UHFFFAOYSA-N 0 1 399.369 3.211 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000515356915 974298582 /nfs/dbraw/zinc/29/85/82/974298582.db2.gz MNLSNCAHKVBVLT-IFMALSPDSA-N 0 1 383.444 3.299 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(CN2CCOCC2)cc1)C(=O)[O-] ZINC000515659913 974301749 /nfs/dbraw/zinc/30/17/49/974301749.db2.gz DIMIGSZGLWQQRD-IBGZPJMESA-N 0 1 382.504 3.242 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[NH+]2C3CCCC2CCC3)c(C(=O)[O-])c1C ZINC001603823971 974310088 /nfs/dbraw/zinc/31/00/88/974310088.db2.gz QONUBXGXVSDLDI-UHFFFAOYSA-N 0 1 394.493 3.277 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825690 974321234 /nfs/dbraw/zinc/32/12/34/974321234.db2.gz JPTOQQBMIQBHMT-RYQLBKOJSA-N 0 1 376.497 3.360 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000518991698 974326142 /nfs/dbraw/zinc/32/61/42/974326142.db2.gz XEKNUSGPBSMEKD-GOSISDBHSA-N 0 1 380.366 3.500 20 0 GGADMN COCc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000519757231 974335250 /nfs/dbraw/zinc/33/52/50/974335250.db2.gz BSLAZZLFKYOXHE-IBGZPJMESA-N 0 1 385.460 3.424 20 0 GGADMN COc1cc(OC)c(C2CC[NH+](Cc3nc(C(=O)[O-])cs3)CC2)c(OC)c1 ZINC000530163225 974359273 /nfs/dbraw/zinc/35/92/73/974359273.db2.gz FHTCRYAGZMRFFZ-UHFFFAOYSA-N 0 1 392.477 3.247 20 0 GGADMN COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1)C2 ZINC000563283647 974528881 /nfs/dbraw/zinc/52/88/81/974528881.db2.gz SEPNIDKOSNXVHQ-HXUWFJFHSA-N 0 1 383.444 3.386 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000563284998 974529023 /nfs/dbraw/zinc/52/90/23/974529023.db2.gz VRXFBZOHAXSDAF-QGZVFWFLSA-N 0 1 399.443 3.049 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000563289124 974529862 /nfs/dbraw/zinc/52/98/62/974529862.db2.gz LBEKAQGEWHEWNN-SFHVURJKSA-N 0 1 379.382 3.200 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000563289124 974529867 /nfs/dbraw/zinc/52/98/67/974529867.db2.gz LBEKAQGEWHEWNN-SFHVURJKSA-N 0 1 379.382 3.200 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)nn1 ZINC000564662256 974551847 /nfs/dbraw/zinc/55/18/47/974551847.db2.gz MSEVJMIQCXMTBF-GOSISDBHSA-N 0 1 380.448 3.236 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CCN1CCc3ccccc31)CC2 ZINC000564738666 974552795 /nfs/dbraw/zinc/55/27/95/974552795.db2.gz KRPWHXPLYMOZQQ-HXUWFJFHSA-N 0 1 396.487 3.140 20 0 GGADMN O=C([O-])c1cnc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000565039062 974564896 /nfs/dbraw/zinc/56/48/96/974564896.db2.gz WHAYBIFEWZNKGD-UHFFFAOYSA-N 0 1 398.463 3.365 20 0 GGADMN Cc1ccc(-c2csc3ncnc(N4CC[N@H+](C)C[C@@H](C(=O)[O-])C4)c23)cc1 ZINC000565040057 974565027 /nfs/dbraw/zinc/56/50/27/974565027.db2.gz FWHOYUCSEARSTM-OAHLLOKOSA-N 0 1 382.489 3.119 20 0 GGADMN C[C@@H](C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000565108314 974572666 /nfs/dbraw/zinc/57/26/66/974572666.db2.gz XBWBLXIGYYMZQM-KRWDZBQOSA-N 0 1 375.490 3.073 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nn1 ZINC000565110345 974572719 /nfs/dbraw/zinc/57/27/19/974572719.db2.gz OTOLILRORXBAGE-AWEZNQCLSA-N 0 1 387.827 3.122 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nn1 ZINC000565110345 974572722 /nfs/dbraw/zinc/57/27/22/974572722.db2.gz OTOLILRORXBAGE-AWEZNQCLSA-N 0 1 387.827 3.122 20 0 GGADMN Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000565110646 974572784 /nfs/dbraw/zinc/57/27/84/974572784.db2.gz SHJLCJUGQJUJOR-QFIPXVFZSA-N 0 1 377.444 3.197 20 0 GGADMN O=C([O-])c1cccc(Cl)c1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000565426182 974581949 /nfs/dbraw/zinc/58/19/49/974581949.db2.gz KAHQLDSRXRSTDY-UHFFFAOYSA-N 0 1 388.880 3.365 20 0 GGADMN 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JYNGICFLZRIQGB-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc3c1CCOC3)CC2 ZINC000634692020 975272214 /nfs/dbraw/zinc/27/22/14/975272214.db2.gz SGGPWBPAYASFNN-HXUWFJFHSA-N 0 1 397.471 3.351 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000634697507 975274741 /nfs/dbraw/zinc/27/47/41/975274741.db2.gz LCPUHLNFOPLYQN-LPHOPBHVSA-N 0 1 375.396 3.122 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000634697507 975274748 /nfs/dbraw/zinc/27/47/48/975274748.db2.gz LCPUHLNFOPLYQN-LPHOPBHVSA-N 0 1 375.396 3.122 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000635520593 975285013 /nfs/dbraw/zinc/28/50/13/975285013.db2.gz HTUNVKSFVAYFTD-XLIONFOSSA-N 0 1 387.524 3.041 20 0 GGADMN O=C([O-])CCCCCNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000635518591 975285077 /nfs/dbraw/zinc/28/50/77/975285077.db2.gz TXJFDRONFDRSAN-LJQANCHMSA-N 0 1 375.513 3.375 20 0 GGADMN 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VFHASOJZXMSKCJ-HNNXBMFYSA-N 0 1 396.270 3.490 20 0 GGADMN O=C([O-])C1(O)CC[NH+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC000652483700 975552005 /nfs/dbraw/zinc/55/20/05/975552005.db2.gz ZKSDEBHPIGQARH-UHFFFAOYSA-N 0 1 399.878 3.150 20 0 GGADMN O=C([O-])c1cccc2c1C[N@@H+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000652487755 975555424 /nfs/dbraw/zinc/55/54/24/975555424.db2.gz QOOHUMULXANGQY-UHFFFAOYSA-N 0 1 391.475 3.267 20 0 GGADMN COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(C)(C)C(=O)[O-])C3)n2)c(OC)c1 ZINC000652500295 975564315 /nfs/dbraw/zinc/56/43/15/975564315.db2.gz KKYSKULZIDIGAX-ZDUSSCGKSA-N 0 1 389.452 3.077 20 0 GGADMN C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(OC)c1 ZINC000652500236 975564638 /nfs/dbraw/zinc/56/46/38/975564638.db2.gz HMEBRBKIBVVDBU-DIWYCERUSA-N 0 1 391.508 3.291 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000652502931 975565584 /nfs/dbraw/zinc/56/55/84/975565584.db2.gz VQIYUEOAFISAPU-OAHLLOKOSA-N 0 1 382.386 3.265 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652510500 975568857 /nfs/dbraw/zinc/56/88/57/975568857.db2.gz CIXAHKNFBNWXOR-LSDHHAIUSA-N 0 1 384.451 3.190 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000652506127 975569751 /nfs/dbraw/zinc/56/97/51/975569751.db2.gz SEAQTLFKQQLKIJ-YTFSRNRJSA-N 0 1 394.515 3.078 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000653298719 975579215 /nfs/dbraw/zinc/57/92/15/975579215.db2.gz DPUKPKVMSPNTAN-JZXOWHBKSA-N 0 1 378.900 3.312 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000653298719 975579219 /nfs/dbraw/zinc/57/92/19/975579219.db2.gz DPUKPKVMSPNTAN-JZXOWHBKSA-N 0 1 378.900 3.312 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000653328916 975589688 /nfs/dbraw/zinc/58/96/88/975589688.db2.gz OUILUPJSRGKENX-QHAWAJNXSA-N 0 1 378.472 3.471 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)CC1 ZINC000653389351 975592702 /nfs/dbraw/zinc/59/27/02/975592702.db2.gz DZKVHXIJBRBPEO-JOCHJYFZSA-N 0 1 392.499 3.152 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001591711781 975597385 /nfs/dbraw/zinc/59/73/85/975597385.db2.gz NGVKUECMTANVDN-OAHLLOKOSA-N 0 1 385.386 3.406 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001591711781 975597393 /nfs/dbraw/zinc/59/73/93/975597393.db2.gz NGVKUECMTANVDN-OAHLLOKOSA-N 0 1 385.386 3.406 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nn1)C(=O)[O-] ZINC000656190819 975643797 /nfs/dbraw/zinc/64/37/97/975643797.db2.gz SFTLESMLLZMTII-CYBMUJFWSA-N 0 1 383.370 3.141 20 0 GGADMN C[C@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656246409 975656689 /nfs/dbraw/zinc/65/66/89/975656689.db2.gz KXOUDWYPBNOHSF-ZACQAIPSSA-N 0 1 396.487 3.279 20 0 GGADMN C[C@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656246409 975656694 /nfs/dbraw/zinc/65/66/94/975656694.db2.gz KXOUDWYPBNOHSF-ZACQAIPSSA-N 0 1 396.487 3.279 20 0 GGADMN CC(C)OCCC[N@@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001591722651 975665036 /nfs/dbraw/zinc/66/50/36/975665036.db2.gz GODJHTQAGKTIIV-UHFFFAOYSA-N 0 1 384.274 3.201 20 0 GGADMN CC(C)OCCOC1CC[NH+](Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001591726468 975687982 /nfs/dbraw/zinc/68/79/82/975687982.db2.gz XBJVIQQODYJNJH-UHFFFAOYSA-N 0 1 390.274 3.146 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000656763168 975690114 /nfs/dbraw/zinc/69/01/14/975690114.db2.gz DXRIVJUJPIKZFS-HSALFYBXSA-N 0 1 383.492 3.464 20 0 GGADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764373 975694947 /nfs/dbraw/zinc/69/49/47/975694947.db2.gz XMAMUGZXMGXQIU-MJGOQNOKSA-N 0 1 388.489 3.027 20 0 GGADMN COCCOCCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000656767118 975700599 /nfs/dbraw/zinc/70/05/99/975700599.db2.gz RMCCWZRDAZGGTC-ACRUOGEOSA-N 0 1 391.508 3.194 20 0 GGADMN Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000656767523 975701332 /nfs/dbraw/zinc/70/13/32/975701332.db2.gz SDPQGXNRGPQBLR-CEXWTWQISA-N 0 1 379.522 3.124 20 0 GGADMN COCCOCCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000656767122 975701648 /nfs/dbraw/zinc/70/16/48/975701648.db2.gz RMCCWZRDAZGGTC-PCCBWWKXSA-N 0 1 391.508 3.194 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@H]2CCCC[C@@H]12 ZINC000656768614 975703681 /nfs/dbraw/zinc/70/36/81/975703681.db2.gz VZSWYVXKTKTXSJ-BDTNDASRSA-N 0 1 385.552 3.164 20 0 GGADMN CC(C)Oc1c(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1C(=O)[O-] ZINC001591744100 975766865 /nfs/dbraw/zinc/76/68/65/975766865.db2.gz JLGORIMEFHEXME-FQEVSTJZSA-N 0 1 375.469 3.122 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1C(=O)[O-] ZINC001591746330 975782478 /nfs/dbraw/zinc/78/24/78/975782478.db2.gz DGPRGOTXPFXHSJ-AWEZNQCLSA-N 0 1 377.485 3.414 20 0 GGADMN C[C@]1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCC[N@H+]1Cc1ccccc1 ZINC000659401817 975846306 /nfs/dbraw/zinc/84/63/06/975846306.db2.gz SHEXTWNJMHWUIV-JOCHJYFZSA-N 0 1 387.524 3.328 20 0 GGADMN CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659753459 975862071 /nfs/dbraw/zinc/86/20/71/975862071.db2.gz LQHSVNSJXXGNSM-PXNSSMCTSA-N 0 1 396.487 3.448 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(OCC(=O)[O-])cc3)cc2)C1 ZINC000659753379 975862340 /nfs/dbraw/zinc/86/23/40/975862340.db2.gz ISNBPXNAPBWNDS-QGZVFWFLSA-N 0 1 396.487 3.312 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000659756394 975864870 /nfs/dbraw/zinc/86/48/70/975864870.db2.gz DZBWCVYKCLXYTG-XLIONFOSSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659755590 975865333 /nfs/dbraw/zinc/86/53/33/975865333.db2.gz YQBDTIZQRUNHEY-KRWDZBQOSA-N 0 1 396.487 3.312 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001591763666 975870627 /nfs/dbraw/zinc/87/06/27/975870627.db2.gz YCUZOTDDEYOYHB-INIZCTEOSA-N 0 1 389.496 3.368 20 0 GGADMN Cc1cccc(S(=O)(=O)CCC[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000659789994 975876246 /nfs/dbraw/zinc/87/62/46/975876246.db2.gz KBUPTPJJONKNEY-UHFFFAOYSA-N 0 1 375.490 3.136 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001591767182 975878447 /nfs/dbraw/zinc/87/84/47/975878447.db2.gz JDQVXPXJAGHHCX-MRXNPFEDSA-N 0 1 375.469 3.310 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000659792244 975879828 /nfs/dbraw/zinc/87/98/28/975879828.db2.gz BWEQJZAASBAXIB-OAHLLOKOSA-N 0 1 375.852 3.145 20 0 GGADMN CO[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)[C@@H](C(=O)[O-])C1 ZINC000659794299 975882935 /nfs/dbraw/zinc/88/29/35/975882935.db2.gz HZRBFSOBJIXROC-HDMKZQKVSA-N 0 1 399.915 3.076 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)nn1 ZINC000659794328 975883462 /nfs/dbraw/zinc/88/34/62/975883462.db2.gz FXRZHDNPAGUQDS-UHFFFAOYSA-N 0 1 375.498 3.318 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662223012 975904642 /nfs/dbraw/zinc/90/46/42/975904642.db2.gz LKUCYKVGZADOIB-DYVFJYSZSA-N 0 1 388.414 3.168 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662223012 975904653 /nfs/dbraw/zinc/90/46/53/975904653.db2.gz LKUCYKVGZADOIB-DYVFJYSZSA-N 0 1 388.414 3.168 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132027 975930007 /nfs/dbraw/zinc/93/00/07/975930007.db2.gz HRBMKDHCTQEZTA-SFTDATJTSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132027 975930011 /nfs/dbraw/zinc/93/00/11/975930011.db2.gz HRBMKDHCTQEZTA-SFTDATJTSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663133960 975931199 /nfs/dbraw/zinc/93/11/99/975931199.db2.gz HISQFRHNEBVXAP-PMACEKPBSA-N 0 1 382.435 3.001 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663133960 975931207 /nfs/dbraw/zinc/93/12/07/975931207.db2.gz HISQFRHNEBVXAP-PMACEKPBSA-N 0 1 382.435 3.001 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663134262 975931553 /nfs/dbraw/zinc/93/15/53/975931553.db2.gz HISQFRHNEBVXAP-VQTJNVASSA-N 0 1 382.435 3.001 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663134262 975931566 /nfs/dbraw/zinc/93/15/66/975931566.db2.gz HISQFRHNEBVXAP-VQTJNVASSA-N 0 1 382.435 3.001 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663133961 975931794 /nfs/dbraw/zinc/93/17/94/975931794.db2.gz HISQFRHNEBVXAP-UXHICEINSA-N 0 1 382.435 3.001 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663133961 975931806 /nfs/dbraw/zinc/93/18/06/975931806.db2.gz HISQFRHNEBVXAP-UXHICEINSA-N 0 1 382.435 3.001 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000666539903 975967092 /nfs/dbraw/zinc/96/70/92/975967092.db2.gz AMHSBKDBKIHJDI-YWHRJQNKSA-N 0 1 399.535 3.230 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000666538861 975967777 /nfs/dbraw/zinc/96/77/77/975967777.db2.gz VANAZCFPMBYKBA-QZTJIDSGSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000666538861 975967784 /nfs/dbraw/zinc/96/77/84/975967784.db2.gz VANAZCFPMBYKBA-QZTJIDSGSA-N 0 1 387.867 3.283 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000666580520 975975333 /nfs/dbraw/zinc/97/53/33/975975333.db2.gz LIEQIUKXHMJXLR-HXUWFJFHSA-N 0 1 395.434 3.272 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000666580520 975975337 /nfs/dbraw/zinc/97/53/37/975975337.db2.gz LIEQIUKXHMJXLR-HXUWFJFHSA-N 0 1 395.434 3.272 20 0 GGADMN CC(C)Oc1ccnc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1 ZINC001591803349 976022809 /nfs/dbraw/zinc/02/28/09/976022809.db2.gz HCFYIODWMRYDFF-ZWKOTPCHSA-N 0 1 376.403 3.447 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl)C(=O)[O-] ZINC001591865495 976161151 /nfs/dbraw/zinc/16/11/51/976161151.db2.gz AJMHMJKWKSXHOJ-APWZRJJASA-N 0 1 380.916 3.353 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC001591866140 976167218 /nfs/dbraw/zinc/16/72/18/976167218.db2.gz AHDKMEPMGDWXLC-SJCJKPOMSA-N 0 1 386.414 3.456 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC001591866140 976167225 /nfs/dbraw/zinc/16/72/25/976167225.db2.gz AHDKMEPMGDWXLC-SJCJKPOMSA-N 0 1 386.414 3.456 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001591868235 976189592 /nfs/dbraw/zinc/18/95/92/976189592.db2.gz URZRSBQUJJDLMG-HKUYNNGSSA-N 0 1 384.879 3.102 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001591868235 976189598 /nfs/dbraw/zinc/18/95/98/976189598.db2.gz URZRSBQUJJDLMG-HKUYNNGSSA-N 0 1 384.879 3.102 20 0 GGADMN CC(C)[C@H](NC(=O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C(=O)[O-] ZINC001591870519 976201870 /nfs/dbraw/zinc/20/18/70/976201870.db2.gz MHRSHPQNEGWXNC-RBUKOAKNSA-N 0 1 392.858 3.384 20 0 GGADMN CC(C)[C@H](NC(=O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C(=O)[O-] ZINC001591870418 976202247 /nfs/dbraw/zinc/20/22/47/976202247.db2.gz MHRSHPQNEGWXNC-OALUTQOASA-N 0 1 392.858 3.384 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001591910600 976322707 /nfs/dbraw/zinc/32/27/07/976322707.db2.gz KGZGFGNRDCQSKM-OAQYLSRUSA-N 0 1 395.503 3.166 20 0 GGADMN CC(C)c1ccc(-c2nc(C(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC001591936169 976458723 /nfs/dbraw/zinc/45/87/23/976458723.db2.gz RRLKMZGLPPCEHV-MRXNPFEDSA-N 0 1 387.505 3.022 20 0 GGADMN CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC001591943621 976482466 /nfs/dbraw/zinc/48/24/66/976482466.db2.gz YZHAEIJRVLOCEV-HSZRJFAPSA-N 0 1 396.487 3.365 20 0 GGADMN CC(C)c1ccc(C2(C(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)CCCCC2)cc1 ZINC001591948354 976498982 /nfs/dbraw/zinc/49/89/82/976498982.db2.gz FYJKHJYBKOAMNY-IBGZPJMESA-N 0 1 386.536 3.487 20 0 GGADMN CC(C)c1ccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949527 976507035 /nfs/dbraw/zinc/50/70/35/976507035.db2.gz WEQUHTVSLMMRMJ-RBUKOAKNSA-N 0 1 375.513 3.165 20 0 GGADMN CC(C)c1ccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949529 976507503 /nfs/dbraw/zinc/50/75/03/976507503.db2.gz WEQUHTVSLMMRMJ-RTBURBONSA-N 0 1 375.513 3.165 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])CC2)cc1 ZINC001591953889 976519530 /nfs/dbraw/zinc/51/95/30/976519530.db2.gz FVKPGHVEQVDVLV-VQTJNVASSA-N 0 1 387.524 3.281 20 0 GGADMN CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)CCC2 ZINC001591981715 976598475 /nfs/dbraw/zinc/59/84/75/976598475.db2.gz ZGVUGZRKBQGDMN-OXQOHEQNSA-N 0 1 387.524 3.378 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001591986896 976609686 /nfs/dbraw/zinc/60/96/86/976609686.db2.gz JPBGWZGQCMFIIO-KRWDZBQOSA-N 0 1 389.540 3.353 20 0 GGADMN CC(C)c1[nH+]ccn1CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC001592037588 976757113 /nfs/dbraw/zinc/75/71/13/976757113.db2.gz URGBWGPOLKADHD-HNNXBMFYSA-N 0 1 396.447 3.483 20 0 GGADMN CC(C)c1ncsc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001592042469 976768869 /nfs/dbraw/zinc/76/88/69/976768869.db2.gz LAQYEQRLSVZEKJ-HXUWFJFHSA-N 0 1 387.505 3.116 20 0 GGADMN CC(C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001592060982 976811608 /nfs/dbraw/zinc/81/16/08/976811608.db2.gz IKJWJUNDXLAFPB-MJGOQNOKSA-N 0 1 399.539 3.223 20 0 GGADMN CC(C)[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC001592266983 977510066 /nfs/dbraw/zinc/51/00/66/977510066.db2.gz AFNRDDPODUOSOM-SJKOYZFVSA-N 0 1 386.452 3.349 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccn1 ZINC001592322167 977725158 /nfs/dbraw/zinc/72/51/58/977725158.db2.gz PYXLRYOOUBDLII-XZOQPEGZSA-N 0 1 395.503 3.409 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccnc1 ZINC001592329654 977761455 /nfs/dbraw/zinc/76/14/55/977761455.db2.gz KCDOXCYZWNKWSM-QFIPXVFZSA-N 0 1 394.450 3.375 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1F ZINC000716298798 977828351 /nfs/dbraw/zinc/82/83/51/977828351.db2.gz IBMCXUXOHANUQB-CYBMUJFWSA-N 0 1 375.375 3.059 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001592351606 977828520 /nfs/dbraw/zinc/82/85/20/977828520.db2.gz QMMAFUVBTUWTBG-BXUZGUMPSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001592351606 977828526 /nfs/dbraw/zinc/82/85/26/977828526.db2.gz QMMAFUVBTUWTBG-BXUZGUMPSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001592351609 977828902 /nfs/dbraw/zinc/82/89/02/977828902.db2.gz QMMAFUVBTUWTBG-SMDDNHRTSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001592351609 977828908 /nfs/dbraw/zinc/82/89/08/977828908.db2.gz QMMAFUVBTUWTBG-SMDDNHRTSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001592445875 978118467 /nfs/dbraw/zinc/11/84/67/978118467.db2.gz QQHYGLYZSPVXBB-NVXWUHKLSA-N 0 1 375.513 3.075 20 0 GGADMN C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001592445877 978118527 /nfs/dbraw/zinc/11/85/27/978118527.db2.gz QQHYGLYZSPVXBB-WBVHZDCISA-N 0 1 375.513 3.075 20 0 GGADMN C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001592445876 978118541 /nfs/dbraw/zinc/11/85/41/978118541.db2.gz QQHYGLYZSPVXBB-RDJZCZTQSA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736276215 978315887 /nfs/dbraw/zinc/31/58/87/978315887.db2.gz NUIMPGJWDAKGNS-CQSZACIVSA-N 0 1 384.423 3.108 20 0 GGADMN C[C@H](CCNC(=O)Nc1nc(CCC(=O)[O-])cs1)[N@@H+](C)Cc1ccccc1 ZINC001592521946 978377739 /nfs/dbraw/zinc/37/77/39/978377739.db2.gz RVGHPQWGEYUQIZ-CQSZACIVSA-N 0 1 390.509 3.192 20 0 GGADMN C[C@@H](CCO)[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001592530735 978401055 /nfs/dbraw/zinc/40/10/55/978401055.db2.gz WZWMSBQHXRYTKZ-NSHDSACASA-N 0 1 396.896 3.408 20 0 GGADMN C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001592530735 978401060 /nfs/dbraw/zinc/40/10/60/978401060.db2.gz WZWMSBQHXRYTKZ-NSHDSACASA-N 0 1 396.896 3.408 20 0 GGADMN CC(C)([NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000737598249 978421960 /nfs/dbraw/zinc/42/19/60/978421960.db2.gz HBKCHSJMOJEVTI-HNNXBMFYSA-N 0 1 389.839 3.064 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC001592583140 978495906 /nfs/dbraw/zinc/49/59/06/978495906.db2.gz LPYOAZYTPNIECI-TZMCWYRMSA-N 0 1 391.518 3.140 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1)C(=O)[O-] ZINC001592592892 978522821 /nfs/dbraw/zinc/52/28/21/978522821.db2.gz TYLBREQJTKIMGK-MRXNPFEDSA-N 0 1 384.480 3.160 20 0 GGADMN C[C@H](C[N@@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1)C(=O)[O-] ZINC001592598266 978530330 /nfs/dbraw/zinc/53/03/30/978530330.db2.gz AAGLEQZOBDUAHF-MRXNPFEDSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@H](C[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 ZINC001592611258 978566652 /nfs/dbraw/zinc/56/66/52/978566652.db2.gz MVBMPJLCWQSLMQ-PBHICJAKSA-N 0 1 392.471 3.183 20 0 GGADMN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cn2cc(Br)ccc2n1 ZINC000738607335 978572826 /nfs/dbraw/zinc/57/28/26/978572826.db2.gz KEYMUCNQUXWYGS-UHFFFAOYSA-N 0 1 388.265 3.226 20 0 GGADMN C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1CC(=O)[O-] ZINC001592624491 978599370 /nfs/dbraw/zinc/59/93/70/978599370.db2.gz PKLIMCVBVWLIJD-LJQANCHMSA-N 0 1 382.504 3.037 20 0 GGADMN O=C([O-])CN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000769461641 978741373 /nfs/dbraw/zinc/74/13/73/978741373.db2.gz ZKBAOFXJOWPXCK-OAQYLSRUSA-N 0 1 380.488 3.055 20 0 GGADMN C[C@@H](CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000827412776 978959312 /nfs/dbraw/zinc/95/93/12/978959312.db2.gz SBSQMNZLDMWOCT-INIZCTEOSA-N 0 1 381.476 3.321 20 0 GGADMN C[C@@H]1CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000828289871 978978250 /nfs/dbraw/zinc/97/82/50/978978250.db2.gz ONWNEKCBOQIJOV-FHLIZLRMSA-N 0 1 385.464 3.012 20 0 GGADMN C[C@@H]1CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@@H]2CCCC[C@H]12 ZINC000828289874 978978527 /nfs/dbraw/zinc/97/85/27/978978527.db2.gz ONWNEKCBOQIJOV-ZTFGCOKTSA-N 0 1 385.464 3.012 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000829458238 978999533 /nfs/dbraw/zinc/99/95/33/978999533.db2.gz LNIYHNPMGONRPQ-OAHLLOKOSA-N 0 1 377.485 3.368 20 0 GGADMN Cc1[nH+]ccn1CCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833010776 979067767 /nfs/dbraw/zinc/06/77/67/979067767.db2.gz LKPSYCYCRRVDEF-UHFFFAOYSA-N 0 1 399.220 3.003 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@@H+]1CCc2sccc2C1 ZINC001592674112 979082858 /nfs/dbraw/zinc/08/28/58/979082858.db2.gz BBUPPMRSKJQRAN-SNVBAGLBSA-N 0 1 394.884 3.063 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@H+]1CCc2sccc2C1 ZINC001592674112 979082862 /nfs/dbraw/zinc/08/28/62/979082862.db2.gz BBUPPMRSKJQRAN-SNVBAGLBSA-N 0 1 394.884 3.063 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@@H+](C)Cc1ccccc1 ZINC001592674305 979084730 /nfs/dbraw/zinc/08/47/30/979084730.db2.gz GQVKBXPRDBDSTL-LBPRGKRZSA-N 0 1 376.844 3.075 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001595017925 979085901 /nfs/dbraw/zinc/08/59/01/979085901.db2.gz NDWIFBPBSKIWNJ-YQVWRLOYSA-N 0 1 399.539 3.223 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001595018215 979088284 /nfs/dbraw/zinc/08/82/84/979088284.db2.gz PWVXCNFEKNIKRQ-IRXDYDNUSA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001595018214 979088575 /nfs/dbraw/zinc/08/85/75/979088575.db2.gz PWVXCNFEKNIKRQ-IAGOWNOFSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@H+]1CCc2ccccc2C1 ZINC001592675413 979090137 /nfs/dbraw/zinc/09/01/37/979090137.db2.gz SUDWSFOYLLXUHP-LBPRGKRZSA-N 0 1 388.855 3.002 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC001592683612 979113257 /nfs/dbraw/zinc/11/32/57/979113257.db2.gz SYQLPYGCNCFOQL-AWEZNQCLSA-N 0 1 387.505 3.334 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC001592683612 979113261 /nfs/dbraw/zinc/11/32/61/979113261.db2.gz SYQLPYGCNCFOQL-AWEZNQCLSA-N 0 1 387.505 3.334 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833547376 979201652 /nfs/dbraw/zinc/20/16/52/979201652.db2.gz SDFMRZWRPBIKST-CYBMUJFWSA-N 0 1 392.297 3.354 20 0 GGADMN C[C@@](CO)([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750303 979309946 /nfs/dbraw/zinc/30/99/46/979309946.db2.gz QJAURPYFNNXNJD-SFHVURJKSA-N 0 1 397.258 3.127 20 0 GGADMN C[C@](CO)([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750302 979310146 /nfs/dbraw/zinc/31/01/46/979310146.db2.gz QJAURPYFNNXNJD-GOSISDBHSA-N 0 1 397.258 3.127 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000842668079 979323275 /nfs/dbraw/zinc/32/32/75/979323275.db2.gz KOBHJOOJMPFFJZ-FSZRXZPDSA-N 0 1 396.890 3.479 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000842668076 979323547 /nfs/dbraw/zinc/32/35/47/979323547.db2.gz KOBHJOOJMPFFJZ-ADAWSYLGSA-N 0 1 396.890 3.479 20 0 GGADMN C[C@@](CO)([NH2+]Cc1ccc(/C=C/C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001592751549 979325679 /nfs/dbraw/zinc/32/56/79/979325679.db2.gz YSQNZAMTNGSYCL-IJDCCNJMSA-N 0 1 380.238 3.137 20 0 GGADMN CCC(CC)(C[NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C(=O)[O-] ZINC001595080883 979373489 /nfs/dbraw/zinc/37/34/89/979373489.db2.gz ZXGDFDSVENNUJN-UHFFFAOYSA-N 0 1 386.374 3.001 20 0 GGADMN C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000846246429 979422573 /nfs/dbraw/zinc/42/25/73/979422573.db2.gz HUJKRQZNARJANT-NHHWLVAYSA-N 0 1 398.434 3.040 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000846246429 979422576 /nfs/dbraw/zinc/42/25/76/979422576.db2.gz HUJKRQZNARJANT-NHHWLVAYSA-N 0 1 398.434 3.040 20 0 GGADMN C[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000846246435 979423786 /nfs/dbraw/zinc/42/37/86/979423786.db2.gz HUJKRQZNARJANT-ZBWUASRJSA-N 0 1 398.434 3.040 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000846246435 979423788 /nfs/dbraw/zinc/42/37/88/979423788.db2.gz HUJKRQZNARJANT-ZBWUASRJSA-N 0 1 398.434 3.040 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)C1CCOCC1 ZINC000846274782 979441373 /nfs/dbraw/zinc/44/13/73/979441373.db2.gz XUAWGZWVURBLHI-UHFFFAOYSA-N 0 1 388.439 3.255 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000846275692 979442611 /nfs/dbraw/zinc/44/26/11/979442611.db2.gz UAFRBHWUTFYJLG-DLBZAZTESA-N 0 1 376.250 3.167 20 0 GGADMN COc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])cs2)cc1 ZINC000846278742 979445581 /nfs/dbraw/zinc/44/55/81/979445581.db2.gz SYMQQWIYRYWZDR-IRWQIABSSA-N 0 1 388.489 3.416 20 0 GGADMN CN(C)c1cc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)ccn1 ZINC000846283282 979454801 /nfs/dbraw/zinc/45/48/01/979454801.db2.gz DCSDBZMDJWXRGV-UHFFFAOYSA-N 0 1 392.297 3.387 20 0 GGADMN O=C([O-])[C@]12C[N@H+]([C@H]3CCCc4ccc(Br)cc43)C[C@H]1COCC2 ZINC000846283687 979456061 /nfs/dbraw/zinc/45/60/61/979456061.db2.gz GLNYSNRWTXQJOO-QANKJYHBSA-N 0 1 380.282 3.250 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)cs2)cc1 ZINC000846283708 979456149 /nfs/dbraw/zinc/45/61/49/979456149.db2.gz XMPGZCAMHAIWDH-MGPUTAFESA-N 0 1 388.489 3.132 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC2(O)CCCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000846289713 979459905 /nfs/dbraw/zinc/45/99/05/979459905.db2.gz XJSPJAHREKLJLL-JKSUJKDBSA-N 0 1 382.298 3.244 20 0 GGADMN CCC(CC)[N@@H+](CCOC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001595114411 979464134 /nfs/dbraw/zinc/46/41/34/979464134.db2.gz KWUVDGYDNOLVQR-UHFFFAOYSA-N 0 1 382.526 3.401 20 0 GGADMN CC[C@H](C[N@@H+](CC)CCCN1C(=O)CS/C1=C\C(=O)[O-])c1ccccc1 ZINC001595129523 979535513 /nfs/dbraw/zinc/53/55/13/979535513.db2.gz MGPBOHXJRFIHAX-YZYPPFLQSA-N 0 1 376.522 3.394 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1Br ZINC000851706154 979571437 /nfs/dbraw/zinc/57/14/37/979571437.db2.gz FZLVKTMTOCTGBP-KRWDZBQOSA-N 0 1 378.266 3.459 20 0 GGADMN O=C([O-])/C=C/c1ccc(OCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000851709094 979579723 /nfs/dbraw/zinc/57/97/23/979579723.db2.gz SEHSCUDKRFIQMG-JTAIHKRISA-N 0 1 381.472 3.261 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1SC(F)(F)F ZINC000851708803 979579806 /nfs/dbraw/zinc/57/98/06/979579806.db2.gz ZNSHDEHNIAOWHQ-NWDGAFQWSA-N 0 1 379.400 3.371 20 0 GGADMN C/C(=C/C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1)C(=O)[O-] ZINC000851708865 979580298 /nfs/dbraw/zinc/58/02/98/979580298.db2.gz NMSUIJHOBFFDNW-WTKLMOFPSA-N 0 1 385.245 3.187 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837664 979582083 /nfs/dbraw/zinc/58/20/83/979582083.db2.gz BPOKVZCIVYZEGV-RBUKOAKNSA-N 0 1 384.879 3.055 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837663 979582151 /nfs/dbraw/zinc/58/21/51/979582151.db2.gz BPOKVZCIVYZEGV-OALUTQOASA-N 0 1 384.879 3.055 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1 ZINC001592838697 979591414 /nfs/dbraw/zinc/59/14/14/979591414.db2.gz HJYVPEXLBYTNMO-CHWSQXEVSA-N 0 1 387.307 3.179 20 0 GGADMN CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)[N@H+]1CCc2ccccc2C1 ZINC001595152846 979649225 /nfs/dbraw/zinc/64/92/25/979649225.db2.gz PQYLBNKCJMGDSQ-SFHVURJKSA-N 0 1 397.475 3.352 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000859819585 979652961 /nfs/dbraw/zinc/65/29/61/979652961.db2.gz KXKPKIJHMJFJKB-HXUWFJFHSA-N 0 1 391.899 3.499 20 0 GGADMN CC[C@@H](CNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C(=O)[O-] ZINC001595155192 979664426 /nfs/dbraw/zinc/66/44/26/979664426.db2.gz XYQIDXGBLFQWBD-LBPRGKRZSA-N 0 1 376.482 3.123 20 0 GGADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000863532684 979673776 /nfs/dbraw/zinc/67/37/76/979673776.db2.gz MFALDGSHWIIOOO-UMNHJUIQSA-N 0 1 383.124 3.314 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 ZINC000863536263 979674911 /nfs/dbraw/zinc/67/49/11/979674911.db2.gz FGGXPFNJHGTNTF-IAGOWNOFSA-N 0 1 376.250 3.455 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c1 ZINC000863536263 979674917 /nfs/dbraw/zinc/67/49/17/979674917.db2.gz FGGXPFNJHGTNTF-IAGOWNOFSA-N 0 1 376.250 3.455 20 0 GGADMN C[C@H]1C[N@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC[C@H]1C(=O)[O-] ZINC000863742098 979675560 /nfs/dbraw/zinc/67/55/60/979675560.db2.gz RWXGNZBAELDQJM-DZGCQCFKSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC[C@H]1C(=O)[O-] ZINC000863742098 979675563 /nfs/dbraw/zinc/67/55/63/979675563.db2.gz RWXGNZBAELDQJM-DZGCQCFKSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC001592859973 979686422 /nfs/dbraw/zinc/68/64/22/979686422.db2.gz BWDDWVOTENVUHQ-SFHVURJKSA-N 0 1 395.503 3.342 20 0 GGADMN CC[C@](COC)([NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1)C(=O)[O-] ZINC001595195723 979916464 /nfs/dbraw/zinc/91/64/64/979916464.db2.gz WJDPSIRAPOQHGH-OAQYLSRUSA-N 0 1 386.448 3.195 20 0 GGADMN Cn1cc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(Br)n1 ZINC000864514253 979941382 /nfs/dbraw/zinc/94/13/82/979941382.db2.gz NHGRVBJMAKPPHN-LLVKDONJSA-N 0 1 392.175 3.117 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000871869324 979977539 /nfs/dbraw/zinc/97/75/39/979977539.db2.gz WLYDHGVTVWWMFG-SFHVURJKSA-N 0 1 394.537 3.016 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000871869323 979977954 /nfs/dbraw/zinc/97/79/54/979977954.db2.gz WLYDHGVTVWWMFG-GOSISDBHSA-N 0 1 394.537 3.016 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000872162210 980051765 /nfs/dbraw/zinc/05/17/65/980051765.db2.gz MKYCXQPRQYZRAS-OKZBNKHCSA-N 0 1 379.884 3.026 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001592989196 980170929 /nfs/dbraw/zinc/17/09/29/980170929.db2.gz AQERASXNNXMWBN-YZVOILCLSA-N 0 1 390.549 3.023 20 0 GGADMN O=C([O-])[C@H]1C[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000874426724 980197803 /nfs/dbraw/zinc/19/78/03/980197803.db2.gz WOPIAJKSUQIRKY-WGSAOQKQSA-N 0 1 385.508 3.080 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CC2)cs1 ZINC000887557289 980222668 /nfs/dbraw/zinc/22/26/68/980222668.db2.gz GMQXHISMCSEPCL-SFHVURJKSA-N 0 1 393.553 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Br)c(F)c1F ZINC000900073507 980245117 /nfs/dbraw/zinc/24/51/17/980245117.db2.gz KDXUUTAJTSWJFJ-SNVBAGLBSA-N 0 1 386.196 3.247 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901427762 980273054 /nfs/dbraw/zinc/27/30/54/980273054.db2.gz DQPYTUMKWNTIPJ-AWEZNQCLSA-N 0 1 397.313 3.132 20 0 GGADMN Cn1cc(C[N@H+](C)Cc2ccnc3c(C(=O)[O-])cccc23)c(C(F)(F)F)n1 ZINC000901439273 980288052 /nfs/dbraw/zinc/28/80/52/980288052.db2.gz SALVZIGRCUCUGS-UHFFFAOYSA-N 0 1 378.354 3.317 20 0 GGADMN Cn1cc(C[N@@H+](C)Cc2ccnc3c(C(=O)[O-])cccc23)c(C(F)(F)F)n1 ZINC000901439273 980288060 /nfs/dbraw/zinc/28/80/60/980288060.db2.gz SALVZIGRCUCUGS-UHFFFAOYSA-N 0 1 378.354 3.317 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccc2ccccc2c1 ZINC001593026425 980288774 /nfs/dbraw/zinc/28/87/74/980288774.db2.gz VOZUTPKTZIPNME-LYNWBYMPSA-N 0 1 396.487 3.112 20 0 GGADMN O=C([O-])COc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000901442630 980290977 /nfs/dbraw/zinc/29/09/77/980290977.db2.gz QPZGMFBHVWMCND-CQSZACIVSA-N 0 1 383.370 3.202 20 0 GGADMN CCc1oc(C[NH2+]C2(c3cccc(OC)c3F)CCOCC2)cc1C(=O)[O-] ZINC000901466578 980301133 /nfs/dbraw/zinc/30/11/33/980301133.db2.gz KTKGTMMLAMCOCD-UHFFFAOYSA-N 0 1 377.412 3.483 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000901469965 980301660 /nfs/dbraw/zinc/30/16/60/980301660.db2.gz NMCJBDIVQWBBPQ-GAJHUEQPSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000901469965 980301667 /nfs/dbraw/zinc/30/16/67/980301667.db2.gz NMCJBDIVQWBBPQ-GAJHUEQPSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000901469974 980301806 /nfs/dbraw/zinc/30/18/06/980301806.db2.gz NMCJBDIVQWBBPQ-UZUQRXQVSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000901469974 980301810 /nfs/dbraw/zinc/30/18/10/980301810.db2.gz NMCJBDIVQWBBPQ-UZUQRXQVSA-N 0 1 397.471 3.344 20 0 GGADMN CCCC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)C(=O)[O-] ZINC000901490162 980312901 /nfs/dbraw/zinc/31/29/01/980312901.db2.gz SFYCFKXPHDINJL-PWRODBHTSA-N 0 1 395.503 3.057 20 0 GGADMN CCC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)C(=O)[O-] ZINC000901490631 980313036 /nfs/dbraw/zinc/31/30/36/980313036.db2.gz PQJHINZSTGVOCI-KURKYZTESA-N 0 1 386.517 3.333 20 0 GGADMN O=C([O-])C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 ZINC000901503385 980323856 /nfs/dbraw/zinc/32/38/56/980323856.db2.gz SIEPBQXOAFENOK-OAQYLSRUSA-N 0 1 391.471 3.274 20 0 GGADMN O=C([O-])C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 ZINC000901503385 980323860 /nfs/dbraw/zinc/32/38/60/980323860.db2.gz SIEPBQXOAFENOK-OAQYLSRUSA-N 0 1 391.471 3.274 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)nn1 ZINC000901523296 980343688 /nfs/dbraw/zinc/34/36/88/980343688.db2.gz FEVMGDICURVSOP-LJQANCHMSA-N 0 1 392.459 3.392 20 0 GGADMN C[C@](NC(=O)Cn1c[nH+]c2c1CCCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593051114 980346659 /nfs/dbraw/zinc/34/66/59/980346659.db2.gz QYNKUAYRPZGGNB-GOSISDBHSA-N 0 1 396.274 3.185 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3c(Cl)cccc3OC(F)F)CC2)nn1 ZINC000901524506 980347195 /nfs/dbraw/zinc/34/71/95/980347195.db2.gz OLHSYSYUCWLNCX-UHFFFAOYSA-N 0 1 386.786 3.068 20 0 GGADMN C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524793 980347639 /nfs/dbraw/zinc/34/76/39/980347639.db2.gz GVOMVVXTVRCWGQ-GLNPCMGASA-N 0 1 392.406 3.318 20 0 GGADMN C[C@H](NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593052166 980352777 /nfs/dbraw/zinc/35/27/77/980352777.db2.gz ALLYCECDUAYSGD-BSRJHKFKSA-N 0 1 399.535 3.077 20 0 GGADMN Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(Br)cc1F ZINC000901526956 980352907 /nfs/dbraw/zinc/35/29/07/980352907.db2.gz OGYYQHBALJQNSS-GFCCVEGCSA-N 0 1 397.248 3.023 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(Br)cc1F ZINC000901526956 980352912 /nfs/dbraw/zinc/35/29/12/980352912.db2.gz OGYYQHBALJQNSS-GFCCVEGCSA-N 0 1 397.248 3.023 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)nn1 ZINC000901530023 980358559 /nfs/dbraw/zinc/35/85/59/980358559.db2.gz ZEJSOQVIEKPYQL-LBPRGKRZSA-N 0 1 387.440 3.076 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC000901540848 980368538 /nfs/dbraw/zinc/36/85/38/980368538.db2.gz FELPUGWWJQCXAP-FQEVSTJZSA-N 0 1 377.387 3.219 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000901542206 980370772 /nfs/dbraw/zinc/37/07/72/980370772.db2.gz ADQCFGOWKXUFQU-HNNXBMFYSA-N 0 1 394.212 3.034 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000901542206 980370776 /nfs/dbraw/zinc/37/07/76/980370776.db2.gz ADQCFGOWKXUFQU-HNNXBMFYSA-N 0 1 394.212 3.034 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000901542207 980371101 /nfs/dbraw/zinc/37/11/01/980371101.db2.gz ADQCFGOWKXUFQU-OAHLLOKOSA-N 0 1 394.212 3.034 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC000901542207 980371105 /nfs/dbraw/zinc/37/11/05/980371105.db2.gz ADQCFGOWKXUFQU-OAHLLOKOSA-N 0 1 394.212 3.034 20 0 GGADMN COc1ccc([C@@H]2CC[N@@H+](Cc3c(C)nn(CCC(=O)[O-])c3C)C2)cc1F ZINC000901544156 980373034 /nfs/dbraw/zinc/37/30/34/980373034.db2.gz SOWUYPXMFYWSQG-MRXNPFEDSA-N 0 1 375.444 3.112 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000901607432 980403618 /nfs/dbraw/zinc/40/36/18/980403618.db2.gz ABENARWAHVLTPU-UHFFFAOYSA-N 0 1 380.488 3.094 20 0 GGADMN C[C@]([NH2+]Cc1cc2n(n1)CCCC2)(C(=O)[O-])c1cccc(Br)c1 ZINC000901622360 980410206 /nfs/dbraw/zinc/41/02/06/980410206.db2.gz NTMALUISODRTJL-QGZVFWFLSA-N 0 1 378.270 3.072 20 0 GGADMN CC[C@@]([NH2+]Cc1c(Cl)ncnc1N(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595298289 980415037 /nfs/dbraw/zinc/41/50/37/980415037.db2.gz FRCQZSNUBMUCTN-KRWDZBQOSA-N 0 1 383.279 3.329 20 0 GGADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901682026 980446368 /nfs/dbraw/zinc/44/63/68/980446368.db2.gz OGEFERSLJTYSMQ-HXUWFJFHSA-N 0 1 385.508 3.312 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@@H]1CCCO1 ZINC000901683802 980448428 /nfs/dbraw/zinc/44/84/28/980448428.db2.gz ZZLLIEYGTTWJQC-KRWDZBQOSA-N 0 1 377.872 3.041 20 0 GGADMN CCOCCC[N@H+](Cc1ncc(Br)cc1Cl)C[C@@H](C)C(=O)[O-] ZINC000901683116 980448534 /nfs/dbraw/zinc/44/85/34/980448534.db2.gz UVTGOQWYAVZWMP-LLVKDONJSA-N 0 1 393.709 3.447 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[NH2+]Cc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000901746396 980476379 /nfs/dbraw/zinc/47/63/79/980476379.db2.gz ZRNOFYBYNZBCQN-STQMWFEESA-N 0 1 376.840 3.200 20 0 GGADMN O=C([O-])c1cc(I)cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000901774175 980504383 /nfs/dbraw/zinc/50/43/83/980504383.db2.gz JKCMOKHBOYQZOQ-OCCSQVGLSA-N 0 1 386.233 3.028 20 0 GGADMN O=C([O-])c1cc(I)cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000901774174 980504497 /nfs/dbraw/zinc/50/44/97/980504497.db2.gz JKCMOKHBOYQZOQ-JSGCOSHPSA-N 0 1 386.233 3.028 20 0 GGADMN COc1c(Br)cccc1C[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785942 980516840 /nfs/dbraw/zinc/51/68/40/980516840.db2.gz IIXVZPGHQZLPMI-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN COc1c(Br)cccc1C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785942 980516843 /nfs/dbraw/zinc/51/68/43/980516843.db2.gz IIXVZPGHQZLPMI-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000901786718 980516934 /nfs/dbraw/zinc/51/69/34/980516934.db2.gz MLCVVNMKHGACSM-GOSISDBHSA-N 0 1 380.366 3.500 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000901824515 980544089 /nfs/dbraw/zinc/54/40/89/980544089.db2.gz AAHROWPOGRJVGM-QFIPXVFZSA-N 0 1 377.444 3.314 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000901824733 980544321 /nfs/dbraw/zinc/54/43/21/980544321.db2.gz BECQHBIKNFPFJO-QGZVFWFLSA-N 0 1 379.229 3.212 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000901824733 980544326 /nfs/dbraw/zinc/54/43/26/980544326.db2.gz BECQHBIKNFPFJO-QGZVFWFLSA-N 0 1 379.229 3.212 20 0 GGADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC001595327202 980545629 /nfs/dbraw/zinc/54/56/29/980545629.db2.gz HCTQXBOHIWYJHE-LSDHHAIUSA-N 0 1 386.286 3.281 20 0 GGADMN Cc1nn2c(nc(C(C)C)c2C[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)s1 ZINC000901833478 980553681 /nfs/dbraw/zinc/55/36/81/980553681.db2.gz XXMQPHVHXBEFIS-UHFFFAOYSA-N 0 1 388.493 3.318 20 0 GGADMN Cc1nn2c(nc(C(C)C)c2C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)s1 ZINC000901833478 980553686 /nfs/dbraw/zinc/55/36/86/980553686.db2.gz XXMQPHVHXBEFIS-UHFFFAOYSA-N 0 1 388.493 3.318 20 0 GGADMN O=C([O-])C[C@@]1([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CCOC1 ZINC000901837725 980555895 /nfs/dbraw/zinc/55/58/95/980555895.db2.gz PSCSLDIZHRLETB-KRWDZBQOSA-N 0 1 382.869 3.099 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccnn2CCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000901889176 980601480 /nfs/dbraw/zinc/60/14/80/980601480.db2.gz VMUVHBGOOCBTHP-FGZHOGPDSA-N 0 1 375.472 3.426 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2c(F)cncc2Br)C[C@H]1c1ccccc1 ZINC000901891925 980605565 /nfs/dbraw/zinc/60/55/65/980605565.db2.gz WSBPLKXYIJBUJP-QWHCGFSZSA-N 0 1 379.229 3.283 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2-n2cncn2)C[C@H]1c1ccc(Cl)cc1 ZINC000901894345 980607115 /nfs/dbraw/zinc/60/71/15/980607115.db2.gz RAPGZXSUJIAVDV-ZWKOTPCHSA-N 0 1 382.851 3.221 20 0 GGADMN Cc1cc(Br)cn2c(C[NH2+][C@@H](C)c3ncc(C(=O)[O-])s3)cnc12 ZINC000901907572 980620679 /nfs/dbraw/zinc/62/06/79/980620679.db2.gz IIGFVOJVUUYLNI-VIFPVBQESA-N 0 1 395.282 3.411 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2)C1 ZINC000901927256 980631667 /nfs/dbraw/zinc/63/16/67/980631667.db2.gz IYJOHJVQLQLNNF-HEWZJLJBSA-N 0 1 384.432 3.350 20 0 GGADMN COc1ccccc1-n1nccc1C[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000901929912 980635373 /nfs/dbraw/zinc/63/53/73/980635373.db2.gz DQWVIQBOYJTJTQ-UHFFFAOYSA-N 0 1 398.488 3.415 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C[C@H]1COCC2 ZINC000901949818 980646167 /nfs/dbraw/zinc/64/61/67/980646167.db2.gz NUKFZXDQIRXYHE-PGRDOPGGSA-N 0 1 385.435 3.328 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@H]1COCC2 ZINC000901952167 980647944 /nfs/dbraw/zinc/64/79/44/980647944.db2.gz NPRDIRXJZPFIIF-VBKZILBWSA-N 0 1 377.387 3.364 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)o1 ZINC000901960748 980651827 /nfs/dbraw/zinc/65/18/27/980651827.db2.gz ITLQKVCAHLFZCA-UTCJRWHESA-N 0 1 390.386 3.050 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000901982719 980660778 /nfs/dbraw/zinc/66/07/78/980660778.db2.gz DCPRMTFEPADSHJ-CYBMUJFWSA-N 0 1 396.310 3.231 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000901982719 980660782 /nfs/dbraw/zinc/66/07/82/980660782.db2.gz DCPRMTFEPADSHJ-CYBMUJFWSA-N 0 1 396.310 3.231 20 0 GGADMN COc1ccc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1OCc1cccnc1 ZINC000901982683 980660907 /nfs/dbraw/zinc/66/09/07/980660907.db2.gz BVIZDHHTVMESED-QGZVFWFLSA-N 0 1 388.489 3.061 20 0 GGADMN COc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])ccc1OCC(F)(F)F ZINC000901982798 980661841 /nfs/dbraw/zinc/66/18/41/980661841.db2.gz GWFOJKRKBFTJCS-GFCCVEGCSA-N 0 1 379.400 3.028 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000901982984 980661930 /nfs/dbraw/zinc/66/19/30/980661930.db2.gz MKLIRKVPHILHMJ-SNVBAGLBSA-N 0 1 396.253 3.443 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000901982984 980661932 /nfs/dbraw/zinc/66/19/32/980661932.db2.gz MKLIRKVPHILHMJ-SNVBAGLBSA-N 0 1 396.253 3.443 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CCOCC1 ZINC000901983213 980661953 /nfs/dbraw/zinc/66/19/53/980661953.db2.gz CTGMUYKKNVDIAX-UHFFFAOYSA-N 0 1 394.212 3.116 20 0 GGADMN C[C@H](C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1)C(=O)[O-] ZINC000901993937 980673448 /nfs/dbraw/zinc/67/34/48/980673448.db2.gz PFGSICROONLHMH-GFCCVEGCSA-N 0 1 378.270 3.320 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CCCc1ccc(C)nc1)CC2 ZINC000902000694 980675308 /nfs/dbraw/zinc/67/53/08/980675308.db2.gz DHIOCCPHBCMFBF-IBGZPJMESA-N 0 1 384.476 3.414 20 0 GGADMN COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CCOC[C@H]3CC(=O)[O-])cc2)c1 ZINC000902001661 980678046 /nfs/dbraw/zinc/67/80/46/980678046.db2.gz IIYFLWYSHIWYAJ-MRXNPFEDSA-N 0 1 387.432 3.172 20 0 GGADMN COc1cc(OC)cc(Oc2ccc(C[N@H+]3CCOC[C@H]3CC(=O)[O-])cc2)c1 ZINC000902001661 980678051 /nfs/dbraw/zinc/67/80/51/980678051.db2.gz IIYFLWYSHIWYAJ-MRXNPFEDSA-N 0 1 387.432 3.172 20 0 GGADMN COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CCOC[C@@H]3CC(=O)[O-])cc2)c1 ZINC000902001660 980678713 /nfs/dbraw/zinc/67/87/13/980678713.db2.gz IIYFLWYSHIWYAJ-INIZCTEOSA-N 0 1 387.432 3.172 20 0 GGADMN COc1cc(OC)cc(Oc2ccc(C[N@H+]3CCOC[C@@H]3CC(=O)[O-])cc2)c1 ZINC000902001660 980678717 /nfs/dbraw/zinc/67/87/17/980678717.db2.gz IIYFLWYSHIWYAJ-INIZCTEOSA-N 0 1 387.432 3.172 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc(Br)c1OC(F)F ZINC000902006368 980683871 /nfs/dbraw/zinc/68/38/71/980683871.db2.gz DPMIJQSTNUDIDB-SNVBAGLBSA-N 0 1 394.212 3.498 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902006411 980684075 /nfs/dbraw/zinc/68/40/75/980684075.db2.gz FXAFUSJJUYZJBL-CQSZACIVSA-N 0 1 378.270 3.382 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])ccc1OCc1ccncc1 ZINC000902008951 980686830 /nfs/dbraw/zinc/68/68/30/980686830.db2.gz TUGCBSQOSVLFRG-BBTUJRGHSA-N 0 1 382.460 3.354 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])cc1OCc1ccccc1 ZINC000902031294 980701874 /nfs/dbraw/zinc/70/18/74/980701874.db2.gz IWKSWPQHMFFUKP-MOPGFXCFSA-N 0 1 385.460 3.338 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)[C@H](C(=O)[O-])C1 ZINC000902031144 980702216 /nfs/dbraw/zinc/70/22/16/980702216.db2.gz HUILLRDNNQZKPK-WFASDCNBSA-N 0 1 379.254 3.061 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)[O-])ccc1OCc1ccccc1 ZINC000902033910 980705632 /nfs/dbraw/zinc/70/56/32/980705632.db2.gz WTDBAOURPJNVNR-RBUKOAKNSA-N 0 1 385.460 3.338 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)[O-])ccc1OCc1ccccc1 ZINC000902033909 980705928 /nfs/dbraw/zinc/70/59/28/980705928.db2.gz WTDBAOURPJNVNR-OALUTQOASA-N 0 1 385.460 3.338 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC000902035272 980706626 /nfs/dbraw/zinc/70/66/26/980706626.db2.gz SXRCLZRLEXOQJE-VQTJNVASSA-N 0 1 384.476 3.341 20 0 GGADMN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001595359445 980741454 /nfs/dbraw/zinc/74/14/54/980741454.db2.gz AWIHNSIFQDQSIK-FQEVSTJZSA-N 0 1 399.466 3.231 20 0 GGADMN CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000902129375 980749068 /nfs/dbraw/zinc/74/90/68/980749068.db2.gz NLFDCMVOAOBUQR-UHFFFAOYSA-N 0 1 384.476 3.400 20 0 GGADMN CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000902129375 980749074 /nfs/dbraw/zinc/74/90/74/980749074.db2.gz NLFDCMVOAOBUQR-UHFFFAOYSA-N 0 1 384.476 3.400 20 0 GGADMN CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000902130410 980749165 /nfs/dbraw/zinc/74/91/65/980749165.db2.gz FMZRHPJZUTYDAK-INIZCTEOSA-N 0 1 396.553 3.007 20 0 GGADMN CC[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccc(OC)cc1OC ZINC000902131621 980750243 /nfs/dbraw/zinc/75/02/43/980750243.db2.gz KKRKNQUQVQZMIO-UHFFFAOYSA-N 0 1 375.469 3.014 20 0 GGADMN CC[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccc(OC)cc1OC ZINC000902131621 980750246 /nfs/dbraw/zinc/75/02/46/980750246.db2.gz KKRKNQUQVQZMIO-UHFFFAOYSA-N 0 1 375.469 3.014 20 0 GGADMN COc1ccc([C@@H](C)NC2CC[NH+](CCCC(=O)[O-])CC2)cc1Br ZINC000902142283 980754216 /nfs/dbraw/zinc/75/42/16/980754216.db2.gz SRRUWIMUFDICST-CYBMUJFWSA-N 0 1 399.329 3.438 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1Br ZINC000902142283 980754219 /nfs/dbraw/zinc/75/42/19/980754219.db2.gz SRRUWIMUFDICST-CYBMUJFWSA-N 0 1 399.329 3.438 20 0 GGADMN COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC000902142198 980754331 /nfs/dbraw/zinc/75/43/31/980754331.db2.gz GBWKZNYXBBKFQF-QGZVFWFLSA-N 0 1 387.480 3.027 20 0 GGADMN COc1ccc([C@H](C)NC2CC[NH+](CCCC(=O)[O-])CC2)cc1Br ZINC000902142284 980754746 /nfs/dbraw/zinc/75/47/46/980754746.db2.gz SRRUWIMUFDICST-ZDUSSCGKSA-N 0 1 399.329 3.438 20 0 GGADMN COc1ccc([C@H](C)[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1Br ZINC000902142284 980754749 /nfs/dbraw/zinc/75/47/49/980754749.db2.gz SRRUWIMUFDICST-ZDUSSCGKSA-N 0 1 399.329 3.438 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000902145116 980756072 /nfs/dbraw/zinc/75/60/72/980756072.db2.gz VKOAHGHISKFTRI-OAQYLSRUSA-N 0 1 380.488 3.296 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000902152709 980760042 /nfs/dbraw/zinc/76/00/42/980760042.db2.gz PTBDAZREXZTVAF-NRFANRHFSA-N 0 1 396.487 3.133 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1C(F)(F)F)C[C@@H](O)COCc1ccccc1 ZINC000902174843 980768014 /nfs/dbraw/zinc/76/80/14/980768014.db2.gz IWWUJYZTWZDSJD-QGZVFWFLSA-N 0 1 397.393 3.413 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2cc(C(=O)[O-])oc2C)cc1OC ZINC000902218321 980787024 /nfs/dbraw/zinc/78/70/24/980787024.db2.gz KMZBNDWWWGFFNV-UHFFFAOYSA-N 0 1 384.226 3.356 20 0 GGADMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2ccccc2OCC(=O)[O-])C1 ZINC001595368309 980825259 /nfs/dbraw/zinc/82/52/59/980825259.db2.gz FUEBNQOEYDCCEQ-NRFANRHFSA-N 0 1 377.481 3.484 20 0 GGADMN CCc1oc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1C(=O)[O-] ZINC000902313105 980829211 /nfs/dbraw/zinc/82/92/11/980829211.db2.gz PTHCUHWSMKCVFX-OAHLLOKOSA-N 0 1 376.840 3.479 20 0 GGADMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001595369441 980838983 /nfs/dbraw/zinc/83/89/83/980838983.db2.gz ZTCPRVVRAQTXIT-NRFANRHFSA-N 0 1 390.480 3.157 20 0 GGADMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001595369441 980838986 /nfs/dbraw/zinc/83/89/86/980838986.db2.gz ZTCPRVVRAQTXIT-NRFANRHFSA-N 0 1 390.480 3.157 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001595374164 980880768 /nfs/dbraw/zinc/88/07/68/980880768.db2.gz VZBRKYAJDNAFNA-HUUCEWRRSA-N 0 1 394.537 3.399 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001595374165 980881026 /nfs/dbraw/zinc/88/10/26/980881026.db2.gz VZBRKYAJDNAFNA-LSDHHAIUSA-N 0 1 394.537 3.399 20 0 GGADMN COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)CCCC2 ZINC000902455432 980894942 /nfs/dbraw/zinc/89/49/42/980894942.db2.gz BJXXHQNLYOMJNJ-IBGZPJMESA-N 0 1 390.524 3.390 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](NC1CC[NH+](CCCC(=O)[O-])CC1)CCCC2 ZINC000902455432 980894945 /nfs/dbraw/zinc/89/49/45/980894945.db2.gz BJXXHQNLYOMJNJ-IBGZPJMESA-N 0 1 390.524 3.390 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000902508549 980914550 /nfs/dbraw/zinc/91/45/50/980914550.db2.gz OWEOLQVXUMRUFZ-SFHVURJKSA-N 0 1 385.464 3.083 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000902512460 980915258 /nfs/dbraw/zinc/91/52/58/980915258.db2.gz NEMWFNMDZPSBRC-LZLYRXPVSA-N 0 1 376.497 3.055 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902561305 980933025 /nfs/dbraw/zinc/93/30/25/980933025.db2.gz ZNBGIMAEXBEKHH-TZMCWYRMSA-N 0 1 392.297 3.486 20 0 GGADMN Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])c(Br)c3)C2)n1 ZINC000902562644 980933282 /nfs/dbraw/zinc/93/32/82/980933282.db2.gz OLIBOHBBLULMBZ-ZDUSSCGKSA-N 0 1 378.270 3.260 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCOC(F)(F)F ZINC000903601220 980982965 /nfs/dbraw/zinc/98/29/65/980982965.db2.gz GFSBQQDLVNAIOW-LBPRGKRZSA-N 0 1 382.176 3.187 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCCOC(F)(F)F ZINC000903601220 980982966 /nfs/dbraw/zinc/98/29/66/980982966.db2.gz GFSBQQDLVNAIOW-LBPRGKRZSA-N 0 1 382.176 3.187 20 0 GGADMN O=C([O-])C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000903602188 980983649 /nfs/dbraw/zinc/98/36/49/980983649.db2.gz PEDHFTIEDXYGEO-INIZCTEOSA-N 0 1 387.398 3.320 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C[C@H]1c1ccc(Cl)cc1 ZINC000903608789 980990185 /nfs/dbraw/zinc/99/01/85/980990185.db2.gz MBJHKLYZLSNGDW-OKZBNKHCSA-N 0 1 379.884 3.168 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000903610873 980991198 /nfs/dbraw/zinc/99/11/98/980991198.db2.gz CFCYFVPOHYFZNI-UGSOOPFHSA-N 0 1 396.281 3.297 20 0 GGADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC000903623751 981000452 /nfs/dbraw/zinc/00/04/52/981000452.db2.gz RGSAWGGTSRTGGK-INIZCTEOSA-N 0 1 386.395 3.159 20 0 GGADMN C[N@@H+](CCc1ccc2c(c1)OCO2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000903625279 981001201 /nfs/dbraw/zinc/00/12/01/981001201.db2.gz IMDDVBAROHUFAV-QGZVFWFLSA-N 0 1 392.249 3.478 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000903626414 981002090 /nfs/dbraw/zinc/00/20/90/981002090.db2.gz BEBZPZIUPPXQIR-FQEVSTJZSA-N 0 1 383.444 3.265 20 0 GGADMN CC[C@@H]1C[C@H](C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])CCO1 ZINC001595413823 981017158 /nfs/dbraw/zinc/01/71/58/981017158.db2.gz SKXRPOUGXRAJFF-QGPMSJSTSA-N 0 1 377.481 3.283 20 0 GGADMN CC[C@@H]1C[C@H](C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])CCO1 ZINC001595413821 981017168 /nfs/dbraw/zinc/01/71/68/981017168.db2.gz SKXRPOUGXRAJFF-KYJSFNMBSA-N 0 1 377.481 3.283 20 0 GGADMN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3Br)C2)n1 ZINC000903887793 981021460 /nfs/dbraw/zinc/02/14/60/981021460.db2.gz FBDABVXGWRGAAE-GFCCVEGCSA-N 0 1 380.242 3.218 20 0 GGADMN O=C([O-])c1cncc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000903889739 981022546 /nfs/dbraw/zinc/02/25/46/981022546.db2.gz QFWPOMPRZPMDQD-HNNXBMFYSA-N 0 1 382.395 3.349 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(Br)cc1C(=O)[O-] ZINC000903899347 981028233 /nfs/dbraw/zinc/02/82/33/981028233.db2.gz YGFREYLAUXURGM-NHYWBVRUSA-N 0 1 384.270 3.157 20 0 GGADMN CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595415951 981031099 /nfs/dbraw/zinc/03/10/99/981031099.db2.gz NXSSGSUCXKUGNV-JQWIXIFHSA-N 0 1 382.482 3.133 20 0 GGADMN O=C([O-])c1cccc2c1OCC[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C2 ZINC000903921747 981039931 /nfs/dbraw/zinc/03/99/31/981039931.db2.gz RALNYVYNVFBELK-INIZCTEOSA-N 0 1 381.350 3.332 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)s1 ZINC000903925771 981043234 /nfs/dbraw/zinc/04/32/34/981043234.db2.gz WQWOWKWZPRGIOR-LBPRGKRZSA-N 0 1 389.868 3.065 20 0 GGADMN O=C([O-])c1cccc2c1OCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000903927429 981045834 /nfs/dbraw/zinc/04/58/34/981045834.db2.gz KTUXLXDVRZARGP-OAHLLOKOSA-N 0 1 395.377 3.202 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1C[C@@H](O)c1ccccc1Br ZINC000903930390 981050025 /nfs/dbraw/zinc/05/00/25/981050025.db2.gz ADMDZINNFPNPJI-WBVHZDCISA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000903930390 981050030 /nfs/dbraw/zinc/05/00/30/981050030.db2.gz ADMDZINNFPNPJI-WBVHZDCISA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1C[C@H](O)c1ccccc1Br ZINC000903930387 981050052 /nfs/dbraw/zinc/05/00/52/981050052.db2.gz ADMDZINNFPNPJI-DOTOQJQBSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000903930387 981050058 /nfs/dbraw/zinc/05/00/58/981050058.db2.gz ADMDZINNFPNPJI-DOTOQJQBSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000903931518 981052551 /nfs/dbraw/zinc/05/25/51/981052551.db2.gz VAWSNDVJIXRKGP-CRAIPNDOSA-N 0 1 395.377 3.129 20 0 GGADMN CC[C@@H]1CCC[C@@H](C[N@H+]2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001595431653 981053965 /nfs/dbraw/zinc/05/39/65/981053965.db2.gz BHMDBIHXOMLSLG-BRWVUGGUSA-N 0 1 380.529 3.456 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)[C@H]([C@@H]2CCCO2)C1 ZINC000903941531 981061990 /nfs/dbraw/zinc/06/19/90/981061990.db2.gz PWIDQFWKPZHBKO-KMFMINBZSA-N 0 1 387.398 3.428 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1 ZINC000903941460 981062410 /nfs/dbraw/zinc/06/24/10/981062410.db2.gz OUDUHQDPNMGMEO-JCURWCKSSA-N 0 1 398.297 3.302 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@@H]([C@H]2CCCO2)C1 ZINC000903941635 981063266 /nfs/dbraw/zinc/06/32/66/981063266.db2.gz RHDUZDFUJZSOAK-NIKGAXFTSA-N 0 1 389.883 3.370 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H]([C@H]2CCCO2)C1 ZINC000903942167 981064208 /nfs/dbraw/zinc/06/42/08/981064208.db2.gz AXPRDIZRGSLDEW-BSWAZPDLSA-N 0 1 387.398 3.083 20 0 GGADMN COc1cc(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)c(Br)cc1C(=O)[O-] ZINC000903943362 981067703 /nfs/dbraw/zinc/06/77/03/981067703.db2.gz JBUMQTSURCZBGG-AWEZNQCLSA-N 0 1 399.329 3.318 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H]([C@H]2CCCO2)C1 ZINC000903943591 981068222 /nfs/dbraw/zinc/06/82/22/981068222.db2.gz LWKCRCWBGREEGH-HYVNUMGLSA-N 0 1 387.398 3.472 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000903958644 981073901 /nfs/dbraw/zinc/07/39/01/981073901.db2.gz HZUKXPXWUXBZLB-KRWDZBQOSA-N 0 1 395.377 3.202 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C2 ZINC000903957850 981073935 /nfs/dbraw/zinc/07/39/35/981073935.db2.gz ZVXSNZMAYIXOLA-INIZCTEOSA-N 0 1 381.350 3.332 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C2 ZINC000903957851 981073960 /nfs/dbraw/zinc/07/39/60/981073960.db2.gz ZVXSNZMAYIXOLA-MRXNPFEDSA-N 0 1 381.350 3.332 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC000903959229 981076369 /nfs/dbraw/zinc/07/63/69/981076369.db2.gz ZFQNSTLDKJYUCF-MRXNPFEDSA-N 0 1 392.249 3.075 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC000903959229 981076375 /nfs/dbraw/zinc/07/63/75/981076375.db2.gz ZFQNSTLDKJYUCF-MRXNPFEDSA-N 0 1 392.249 3.075 20 0 GGADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444679 981090205 /nfs/dbraw/zinc/09/02/05/981090205.db2.gz UIRULXHWENNLAL-OLZOCXBDSA-N 0 1 396.509 3.380 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000905266280 981091501 /nfs/dbraw/zinc/09/15/01/981091501.db2.gz PPLHRIDLFBJNKL-GOSISDBHSA-N 0 1 393.365 3.173 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000905265787 981091634 /nfs/dbraw/zinc/09/16/34/981091634.db2.gz KNPFIKMPRNJKCW-HNNXBMFYSA-N 0 1 383.448 3.285 20 0 GGADMN C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000905370536 981093255 /nfs/dbraw/zinc/09/32/55/981093255.db2.gz UUNJQGWFNMHKOT-IBGZPJMESA-N 0 1 379.464 3.268 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001595448090 981097159 /nfs/dbraw/zinc/09/71/59/981097159.db2.gz MDKHFQHKFLMNRX-ZIFCJYIRSA-N 0 1 387.524 3.075 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001595448090 981097167 /nfs/dbraw/zinc/09/71/67/981097167.db2.gz MDKHFQHKFLMNRX-ZIFCJYIRSA-N 0 1 387.524 3.075 20 0 GGADMN C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377393 981099819 /nfs/dbraw/zinc/09/98/19/981099819.db2.gz SDJKAXUHFODRGE-HOTGVXAUSA-N 0 1 398.297 3.092 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595451962 981110987 /nfs/dbraw/zinc/11/09/87/981110987.db2.gz WHKNUGSCSMRJGS-GFCCVEGCSA-N 0 1 382.482 3.134 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)C1 ZINC001595452827 981116687 /nfs/dbraw/zinc/11/66/87/981116687.db2.gz FFVSRFMXZDEKMJ-CQSZACIVSA-N 0 1 377.485 3.416 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001595453856 981121985 /nfs/dbraw/zinc/12/19/85/981121985.db2.gz YVBKGEHFBFAKQZ-SJORKVTESA-N 0 1 391.560 3.042 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000905750340 981138054 /nfs/dbraw/zinc/13/80/54/981138054.db2.gz QBPYXXFSZSNYHU-ZDUSSCGKSA-N 0 1 384.461 3.230 20 0 GGADMN COc1cccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1OC(F)F ZINC000905751733 981139498 /nfs/dbraw/zinc/13/94/98/981139498.db2.gz YASSYMITUDGUPT-LLVKDONJSA-N 0 1 384.404 3.441 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775261 981149218 /nfs/dbraw/zinc/14/92/18/981149218.db2.gz LNJSCGPPKMDOQH-OCCSQVGLSA-N 0 1 395.381 3.337 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000905799179 981156617 /nfs/dbraw/zinc/15/66/17/981156617.db2.gz QVFKUXOSKMHCLZ-QRFRQXIXSA-N 0 1 380.492 3.374 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000905799179 981156619 /nfs/dbraw/zinc/15/66/19/981156619.db2.gz QVFKUXOSKMHCLZ-QRFRQXIXSA-N 0 1 380.492 3.374 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001595470666 981169688 /nfs/dbraw/zinc/16/96/88/981169688.db2.gz BBGWRKGHVBLSOP-OAQYLSRUSA-N 0 1 395.503 3.120 20 0 GGADMN CC[C@@H]1CN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC[N@H+]1Cc1ccccc1 ZINC001595483322 981211451 /nfs/dbraw/zinc/21/14/51/981211451.db2.gz NFBHIZOTRXIZDI-HXUWFJFHSA-N 0 1 395.503 3.228 20 0 GGADMN CC[C@@H]1C[N@@H+](C)CCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595483800 981214683 /nfs/dbraw/zinc/21/46/83/981214683.db2.gz RDKZHEGQEKBMAD-CYBMUJFWSA-N 0 1 397.306 3.403 20 0 GGADMN CC[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484371 981219410 /nfs/dbraw/zinc/21/94/10/981219410.db2.gz QFUISKOYRFEVNH-SIKLNZKXSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@H]1CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484371 981219415 /nfs/dbraw/zinc/21/94/15/981219415.db2.gz QFUISKOYRFEVNH-SIKLNZKXSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@H]1CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484371 981219421 /nfs/dbraw/zinc/21/94/21/981219421.db2.gz QFUISKOYRFEVNH-SIKLNZKXSA-N 0 1 398.503 3.426 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000907800567 981223028 /nfs/dbraw/zinc/22/30/28/981223028.db2.gz RTHPFKWGVYNPNE-NZQKXSOJSA-N 0 1 384.520 3.360 20 0 GGADMN CC[C@H]1CN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595484672 981224629 /nfs/dbraw/zinc/22/46/29/981224629.db2.gz WMFLCVTXYJQOLN-MJGOQNOKSA-N 0 1 397.519 3.497 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907822641 981227258 /nfs/dbraw/zinc/22/72/58/981227258.db2.gz NNVLAUKASFGLNH-ZCVJKFOLSA-N 0 1 392.499 3.225 20 0 GGADMN CC[C@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001595488401 981235137 /nfs/dbraw/zinc/23/51/37/981235137.db2.gz NXFFWKQKMVOZKE-MAUKXSAKSA-N 0 1 392.496 3.389 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@@H]1O ZINC001595490928 981243784 /nfs/dbraw/zinc/24/37/84/981243784.db2.gz IMWNXAGVFYQCIZ-BMIGLBTASA-N 0 1 384.263 3.080 20 0 GGADMN O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000907985794 981251841 /nfs/dbraw/zinc/25/18/41/981251841.db2.gz XIAPRAAESDOQKU-MRXNPFEDSA-N 0 1 382.435 3.325 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000908062040 981258579 /nfs/dbraw/zinc/25/85/79/981258579.db2.gz KZZREJMCLYZFHY-HXUWFJFHSA-N 0 1 378.472 3.229 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)c1ccc(Cl)cc1 ZINC000908154014 981271081 /nfs/dbraw/zinc/27/10/81/981271081.db2.gz VKASTFATEYGGFX-SFHVURJKSA-N 0 1 388.851 3.062 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)c1ccc(Cl)cc1 ZINC000908154013 981271092 /nfs/dbraw/zinc/27/10/92/981271092.db2.gz VKASTFATEYGGFX-GOSISDBHSA-N 0 1 388.851 3.062 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccc(Cl)cc1 ZINC000908176638 981279378 /nfs/dbraw/zinc/27/93/78/981279378.db2.gz MYXDHMZFROEPIJ-QHZMEWJKSA-N 0 1 396.940 3.188 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccc(Cl)cc1 ZINC000908176637 981279405 /nfs/dbraw/zinc/27/94/05/981279405.db2.gz MYXDHMZFROEPIJ-BYGOXVSRSA-N 0 1 396.940 3.188 20 0 GGADMN C[NH+](C)[C@H](C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccc(Cl)cc1 ZINC000908176641 981279540 /nfs/dbraw/zinc/27/95/40/981279540.db2.gz MYXDHMZFROEPIJ-ZAKOAHRUSA-N 0 1 396.940 3.188 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(C(F)(F)F)cc1 ZINC000908419747 981315491 /nfs/dbraw/zinc/31/54/91/981315491.db2.gz PQNDMPNGWRAYHG-PMPSAXMXSA-N 0 1 384.398 3.354 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000908651390 981334266 /nfs/dbraw/zinc/33/42/66/981334266.db2.gz KDJCGUWWRJJEIU-HXUWFJFHSA-N 0 1 378.472 3.229 20 0 GGADMN CC[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@H+]1CCc2ccccc2C1 ZINC000908721460 981347664 /nfs/dbraw/zinc/34/76/64/981347664.db2.gz XPYMRPWCTVLYHS-YUVSOPLDSA-N 0 1 384.520 3.365 20 0 GGADMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001595529398 981363249 /nfs/dbraw/zinc/36/32/49/981363249.db2.gz PSYXZBKHFXYWIW-ZDUSSCGKSA-N 0 1 397.313 3.276 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001595529585 981364874 /nfs/dbraw/zinc/36/48/74/981364874.db2.gz ZVVUHQSRHFOPEY-DYVFJYSZSA-N 0 1 386.414 3.459 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1ccc(Br)cc1 ZINC000908848782 981376658 /nfs/dbraw/zinc/37/66/58/981376658.db2.gz MNGVFBFNECOXHW-HRCADAONSA-N 0 1 395.297 3.098 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857776 981378629 /nfs/dbraw/zinc/37/86/29/981378629.db2.gz UDYLTZXKESECKV-LSDHHAIUSA-N 0 1 388.386 3.090 20 0 GGADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857774 981378682 /nfs/dbraw/zinc/37/86/82/981378682.db2.gz UDYLTZXKESECKV-GJZGRUSLSA-N 0 1 388.386 3.090 20 0 GGADMN CC(C)c1[nH+]ccn1CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000908870715 981381213 /nfs/dbraw/zinc/38/12/13/981381213.db2.gz MZQCQEGLCBKAPP-CQSZACIVSA-N 0 1 394.269 3.101 20 0 GGADMN CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000909010782 981403069 /nfs/dbraw/zinc/40/30/69/981403069.db2.gz WZBLPXMSLOHJSN-LJQANCHMSA-N 0 1 390.524 3.119 20 0 GGADMN CCC[C@@](C)(NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001595546976 981416126 /nfs/dbraw/zinc/41/61/26/981416126.db2.gz MVPUPJSLVVLEKN-JOCHJYFZSA-N 0 1 385.508 3.167 20 0 GGADMN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC3 ZINC000909138334 981426630 /nfs/dbraw/zinc/42/66/30/981426630.db2.gz XOMFDUXDLDJMTN-HXUWFJFHSA-N 0 1 381.476 3.158 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000909163369 981429892 /nfs/dbraw/zinc/42/98/92/981429892.db2.gz DRRFMGPYZIJQSL-SFHVURJKSA-N 0 1 382.460 3.309 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909235443 981439598 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O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000910301810 981860050 /nfs/dbraw/zinc/86/00/50/981860050.db2.gz YRHHZDASWLGQAZ-PWRODBHTSA-N 0 1 394.471 3.011 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H](CC(=O)[O-])c3cccc(C)c3)CC2)[nH+]c1 ZINC000910368275 981898350 /nfs/dbraw/zinc/89/83/50/981898350.db2.gz TXQHBTWXPKXQAH-IBGZPJMESA-N 0 1 381.476 3.247 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC000910454462 981940527 /nfs/dbraw/zinc/94/05/27/981940527.db2.gz DECRQFQDCNIDEI-INIZCTEOSA-N 0 1 376.460 3.282 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000910454866 981941668 /nfs/dbraw/zinc/94/16/68/981941668.db2.gz GGINMFJEFKIVGI-AWEZNQCLSA-N 0 1 382.489 3.344 20 0 GGADMN Cc1nc2sc3c(c2c(N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)n1)CC[C@H](C)C3 ZINC000910459350 981943236 /nfs/dbraw/zinc/94/32/36/981943236.db2.gz YEZADTRTEIPFAP-STQMWFEESA-N 0 1 388.537 3.110 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cc1)C(C)C ZINC000910484207 981957171 /nfs/dbraw/zinc/95/71/71/981957171.db2.gz YNCXHVUFDXEANE-HXUWFJFHSA-N 0 1 384.476 3.179 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567440 981993735 /nfs/dbraw/zinc/99/37/35/981993735.db2.gz LRQWMBOHPZNDRJ-IEBWSBKVSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910579793 982000020 /nfs/dbraw/zinc/00/00/20/982000020.db2.gz LCZLGLNETXNCRK-UYAOXDASSA-N 0 1 392.455 3.067 20 0 GGADMN O=C([O-])[C@@H](Cc1cc2ccccc2o1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910579790 982000159 /nfs/dbraw/zinc/00/01/59/982000159.db2.gz LCZLGLNETXNCRK-AZUAARDMSA-N 0 1 392.455 3.067 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000910620049 982025500 /nfs/dbraw/zinc/02/55/00/982025500.db2.gz CCHOQQIBQMHVBU-UHFFFAOYSA-N 0 1 383.448 3.342 20 0 GGADMN CC[C@@](C)(NC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001594834988 982025988 /nfs/dbraw/zinc/02/59/88/982025988.db2.gz CSIYCBBYQDUYHE-DENIHFKCSA-N 0 1 386.467 3.396 20 0 GGADMN CCCC[C@H](S[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC001595652806 982037209 /nfs/dbraw/zinc/03/72/09/982037209.db2.gz XYPYICBROLHNDN-NJAFHUGGSA-N 0 1 378.538 3.142 20 0 GGADMN O=C([O-])CCc1csc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000910645410 982037772 /nfs/dbraw/zinc/03/77/72/982037772.db2.gz ADPUKOCYWCQUTE-CQSZACIVSA-N 0 1 391.468 3.150 20 0 GGADMN CCCC[C@H](SCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC001595656274 982051850 /nfs/dbraw/zinc/05/18/50/982051850.db2.gz WJZBBPGPYZGOOR-IBGZPJMESA-N 0 1 392.565 3.406 20 0 GGADMN CCCC[C@@H](SCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC001595656275 982052070 /nfs/dbraw/zinc/05/20/70/982052070.db2.gz WJZBBPGPYZGOOR-LJQANCHMSA-N 0 1 392.565 3.406 20 0 GGADMN O=C([O-])[C@H]1CCc2sc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC000910678810 982053762 /nfs/dbraw/zinc/05/37/62/982053762.db2.gz YQXLCMHBKKLSFL-HOTGVXAUSA-N 0 1 399.516 3.183 20 0 GGADMN CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910711537 982077642 /nfs/dbraw/zinc/07/76/42/982077642.db2.gz GOZQPEPCZDTFCP-HNNXBMFYSA-N 0 1 385.302 3.011 20 0 GGADMN Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)nc1C(=O)[O-] ZINC000910719508 982081628 /nfs/dbraw/zinc/08/16/28/982081628.db2.gz WDNLOGDMSXYBHA-GDBMZVCRSA-N 0 1 391.537 3.468 20 0 GGADMN Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C(=O)[O-] ZINC000910720190 982081778 /nfs/dbraw/zinc/08/17/78/982081778.db2.gz ZEFGPGFOSJVWKE-IAGOWNOFSA-N 0 1 399.516 3.335 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000910771242 982114154 /nfs/dbraw/zinc/11/41/54/982114154.db2.gz YYALMPGLNIHXSF-CTNGQTDRSA-N 0 1 396.487 3.192 20 0 GGADMN CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594859360 982129920 /nfs/dbraw/zinc/12/99/20/982129920.db2.gz PEMYUXIBNAMWNI-JOCHJYFZSA-N 0 1 385.460 3.335 20 0 GGADMN CCCCC[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001595672321 982133393 /nfs/dbraw/zinc/13/33/93/982133393.db2.gz JNTWWKJHUQJZQI-IEBWSBKVSA-N 0 1 375.513 3.498 20 0 GGADMN CCCCC[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001595672325 982133431 /nfs/dbraw/zinc/13/34/31/982133431.db2.gz JNTWWKJHUQJZQI-PKOBYXMFSA-N 0 1 375.513 3.498 20 0 GGADMN O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000910990690 982185344 /nfs/dbraw/zinc/18/53/44/982185344.db2.gz ZRXXAAXQDJOAQK-UXHICEINSA-N 0 1 396.512 3.361 20 0 GGADMN CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872824 982189477 /nfs/dbraw/zinc/18/94/77/982189477.db2.gz GGNJLWWKIOFLCV-DANNLKNASA-N 0 1 398.297 3.137 20 0 GGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001594878587 982225051 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/nfs/dbraw/zinc/24/97/59/982249759.db2.gz QDNZUZFWBWWPHM-MGPUTAFESA-N 0 1 386.533 3.008 20 0 GGADMN O=C([O-])CCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000911136477 982255345 /nfs/dbraw/zinc/25/53/45/982255345.db2.gz OOKLHHSRABGWDK-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN O=C([O-])CCc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000911136477 982255350 /nfs/dbraw/zinc/25/53/50/982255350.db2.gz OOKLHHSRABGWDK-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN C[C@@H](CC(=O)[O-])CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000911151947 982261209 /nfs/dbraw/zinc/26/12/09/982261209.db2.gz LKJJXIKYRZEGRH-MRXNPFEDSA-N 0 1 378.472 3.402 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21)C(=O)[O-] ZINC001594886665 982266659 /nfs/dbraw/zinc/26/66/59/982266659.db2.gz AKUCMNBXMOTKBT-KVSKMBFKSA-N 0 1 375.513 3.033 20 0 GGADMN CCCCCC[C@@](O)(C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1)C(=O)[O-] ZINC001595703551 982269799 /nfs/dbraw/zinc/26/97/99/982269799.db2.gz UVXPCYUFFDDBBL-OAQYLSRUSA-N 0 1 389.471 3.156 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1)C(=O)[O-] ZINC001595703551 982269805 /nfs/dbraw/zinc/26/98/05/982269805.db2.gz UVXPCYUFFDDBBL-OAQYLSRUSA-N 0 1 389.471 3.156 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc(C(=O)[O-])ccn3)cc2)C1 ZINC000911188153 982273226 /nfs/dbraw/zinc/27/32/26/982273226.db2.gz OREZAILTDKULAT-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccoc3CC(=O)[O-])cc2)C1 ZINC000911189137 982275099 /nfs/dbraw/zinc/27/50/99/982275099.db2.gz VZRXEUGBRSYKFU-IYBDPMFKSA-N 0 1 384.476 3.315 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000911196881 982278803 /nfs/dbraw/zinc/27/88/03/982278803.db2.gz IUNPPAVSEGXKHC-OWCLPIDISA-N 0 1 378.538 3.350 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000911204620 982282617 /nfs/dbraw/zinc/28/26/17/982282617.db2.gz BJOHLWWTQIXEMG-CVEARBPZSA-N 0 1 378.538 3.494 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911204630 982282924 /nfs/dbraw/zinc/28/29/24/982282924.db2.gz BTCGSXNKPZBCQH-CALCHBBNSA-N 0 1 385.508 3.214 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000911204623 982283131 /nfs/dbraw/zinc/28/31/31/982283131.db2.gz BJOHLWWTQIXEMG-JKSUJKDBSA-N 0 1 378.538 3.494 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1)C(=O)[O-] ZINC001594889938 982284586 /nfs/dbraw/zinc/28/45/86/982284586.db2.gz GHKWDIAZVKVDGR-SUMWQHHRSA-N 0 1 395.569 3.236 20 0 GGADMN CCC[NH+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000911213808 982288822 /nfs/dbraw/zinc/28/88/22/982288822.db2.gz CVLPRKXBBZTPHX-UHFFFAOYSA-N 0 1 388.489 3.438 20 0 GGADMN C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000911221915 982292003 /nfs/dbraw/zinc/29/20/03/982292003.db2.gz BSKRIESVFFSNCZ-NSHDSACASA-N 0 1 378.881 3.276 20 0 GGADMN C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000911221915 982292010 /nfs/dbraw/zinc/29/20/10/982292010.db2.gz BSKRIESVFFSNCZ-NSHDSACASA-N 0 1 378.881 3.276 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001595711929 982301922 /nfs/dbraw/zinc/30/19/22/982301922.db2.gz FCZXTCMOYGGSQW-MRXNPFEDSA-N 0 1 375.513 3.499 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC001595712279 982305944 /nfs/dbraw/zinc/30/59/44/982305944.db2.gz OEEMIZLZTBFRHA-HKUYNNGSSA-N 0 1 376.497 3.229 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000911239267 982307603 /nfs/dbraw/zinc/30/76/03/982307603.db2.gz HJQCJJFLBZCUGP-FQEVSTJZSA-N 0 1 381.476 3.215 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000911241023 982308958 /nfs/dbraw/zinc/30/89/58/982308958.db2.gz BEXFDUQGCAMYRD-HNNXBMFYSA-N 0 1 378.538 3.444 20 0 GGADMN CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000911253094 982315762 /nfs/dbraw/zinc/31/57/62/982315762.db2.gz OGTVICFATXODPB-HKUYNNGSSA-N 0 1 398.507 3.046 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCC[N@@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000911253364 982316697 /nfs/dbraw/zinc/31/66/97/982316697.db2.gz USWBFPSZFZHFLV-CYBMUJFWSA-N 0 1 390.530 3.101 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NCC[N@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000911253364 982316704 /nfs/dbraw/zinc/31/67/04/982316704.db2.gz USWBFPSZFZHFLV-CYBMUJFWSA-N 0 1 390.530 3.101 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCC[N@@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000911253365 982317506 /nfs/dbraw/zinc/31/75/06/982317506.db2.gz USWBFPSZFZHFLV-ZDUSSCGKSA-N 0 1 390.530 3.101 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCC[N@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000911253365 982317515 /nfs/dbraw/zinc/31/75/15/982317515.db2.gz USWBFPSZFZHFLV-ZDUSSCGKSA-N 0 1 390.530 3.101 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000911261570 982320580 /nfs/dbraw/zinc/32/05/80/982320580.db2.gz MBUKICXOWZFZLA-QKPAOTATSA-N 0 1 378.538 3.348 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264006 982323245 /nfs/dbraw/zinc/32/32/45/982323245.db2.gz SERMSNZCIJPDGQ-WMZOPIPTSA-N 0 1 391.471 3.291 20 0 GGADMN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911271745 982325701 /nfs/dbraw/zinc/32/57/01/982325701.db2.gz LNRPTZAMFCYCHU-ZDUSSCGKSA-N 0 1 386.473 3.237 20 0 GGADMN CC[C@@H](C(=O)[O-])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000911276570 982327021 /nfs/dbraw/zinc/32/70/21/982327021.db2.gz XHVVHMJWECXBAG-MRXNPFEDSA-N 0 1 386.414 3.239 20 0 GGADMN C[C@H](CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000911304801 982333252 /nfs/dbraw/zinc/33/32/52/982333252.db2.gz YMESZBKZQZBLKB-HZPDHXFCSA-N 0 1 398.528 3.428 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911314729 982334533 /nfs/dbraw/zinc/33/45/33/982334533.db2.gz FUDDCOLZMUPBAL-MJGOQNOKSA-N 0 1 399.535 3.077 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911323118 982347160 /nfs/dbraw/zinc/34/71/60/982347160.db2.gz GUZDARRALAHIKO-HXUWFJFHSA-N 0 1 396.487 3.146 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)s1 ZINC001595727712 982353897 /nfs/dbraw/zinc/35/38/97/982353897.db2.gz IJGBQQQRIJBRDF-SOUVJXGZSA-N 0 1 394.541 3.175 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)s1 ZINC001595727712 982353902 /nfs/dbraw/zinc/35/39/02/982353902.db2.gz IJGBQQQRIJBRDF-SOUVJXGZSA-N 0 1 394.541 3.175 20 0 GGADMN C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000911329318 982354068 /nfs/dbraw/zinc/35/40/68/982354068.db2.gz OBRAEUVFYCIBBF-HNNXBMFYSA-N 0 1 387.480 3.441 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)s1 ZINC001595727707 982354129 /nfs/dbraw/zinc/35/41/29/982354129.db2.gz IJGBQQQRIJBRDF-KKUMJFAQSA-N 0 1 394.541 3.175 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)s1 ZINC001595727707 982354140 /nfs/dbraw/zinc/35/41/40/982354140.db2.gz IJGBQQQRIJBRDF-KKUMJFAQSA-N 0 1 394.541 3.175 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000911335220 982358446 /nfs/dbraw/zinc/35/84/46/982358446.db2.gz LDKYBDLZKGDUSX-CSKARUKUSA-N 0 1 382.460 3.362 20 0 GGADMN C[C@@H](c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1)[NH+]1CCOCC1 ZINC000911343432 982369124 /nfs/dbraw/zinc/36/91/24/982369124.db2.gz BVGRJDKFOXKTIZ-XDGVHFHYSA-N 0 1 386.492 3.444 20 0 GGADMN C[C@H](c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1)[NH+]1CCOCC1 ZINC000911343431 982369241 /nfs/dbraw/zinc/36/92/41/982369241.db2.gz BVGRJDKFOXKTIZ-NYYVNYEXSA-N 0 1 386.492 3.444 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001595733658 982370823 /nfs/dbraw/zinc/37/08/23/982370823.db2.gz DFAFXKFMVACJAV-UHFFFAOYSA-N 0 1 390.253 3.140 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC001595734087 982372090 /nfs/dbraw/zinc/37/20/90/982372090.db2.gz MGWDMKQAZOXLAU-UHFFFAOYSA-N 0 1 391.512 3.047 20 0 GGADMN CCCC[N@@H+](C)CC1CCN([C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)CC1 ZINC001595734714 982375367 /nfs/dbraw/zinc/37/53/67/982375367.db2.gz WZGZOHGAERKQFH-LJQANCHMSA-N 0 1 376.497 3.043 20 0 GGADMN C[C@@]1(CNC(=O)CCc2ccc(C(=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000911362805 982379587 /nfs/dbraw/zinc/37/95/87/982379587.db2.gz OYMWZAFJUSBMGE-QHCPKHFHSA-N 0 1 380.488 3.488 20 0 GGADMN C[C@]1(CNC(=O)CCc2ccc(C(=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000911362804 982379742 /nfs/dbraw/zinc/37/97/42/982379742.db2.gz OYMWZAFJUSBMGE-HSZRJFAPSA-N 0 1 380.488 3.488 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000911363817 982380672 /nfs/dbraw/zinc/38/06/72/982380672.db2.gz HTGRSIDOYZDVLU-UWJYYQICSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000911363815 982380948 /nfs/dbraw/zinc/38/09/48/982380948.db2.gz HTGRSIDOYZDVLU-UTKZUKDTSA-N 0 1 380.488 3.439 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000911363906 982382263 /nfs/dbraw/zinc/38/22/63/982382263.db2.gz ZTBRTOHFZWAPNM-HSZRJFAPSA-N 0 1 396.487 3.343 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000911371444 982388757 /nfs/dbraw/zinc/38/87/57/982388757.db2.gz GOBBHXBOKACJDN-IBGZPJMESA-N 0 1 380.488 3.298 20 0 GGADMN CCCC[N@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H](C)c1ccc(C)o1 ZINC001595741802 982405530 /nfs/dbraw/zinc/40/55/30/982405530.db2.gz SQRMWNROAANGCW-CYBMUJFWSA-N 0 1 379.482 3.473 20 0 GGADMN CCCC[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H](C)c1ccc(C)o1 ZINC001595741802 982405535 /nfs/dbraw/zinc/40/55/35/982405535.db2.gz SQRMWNROAANGCW-CYBMUJFWSA-N 0 1 379.482 3.473 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000911384544 982407253 /nfs/dbraw/zinc/40/72/53/982407253.db2.gz CZUNGALDEHMBJE-UZLBHIALSA-N 0 1 391.471 3.119 20 0 GGADMN C[C@@H]1[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000911384543 982407699 /nfs/dbraw/zinc/40/76/99/982407699.db2.gz CZUNGALDEHMBJE-OXQOHEQNSA-N 0 1 391.471 3.119 20 0 GGADMN C[C@H]1[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000911384542 982407881 /nfs/dbraw/zinc/40/78/81/982407881.db2.gz CZUNGALDEHMBJE-OXJNMPFZSA-N 0 1 391.471 3.119 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911385803 982409051 /nfs/dbraw/zinc/40/90/51/982409051.db2.gz UPOSUDDYHRBUOH-HNNXBMFYSA-N 0 1 383.286 3.142 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911410538 982420552 /nfs/dbraw/zinc/42/05/52/982420552.db2.gz UZHFZPRVNUIEOP-YILSLVNCSA-N 0 1 384.520 3.438 20 0 GGADMN CCCC[N@@H+](CCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595749135 982420685 /nfs/dbraw/zinc/42/06/85/982420685.db2.gz JHSAYJJEJKXAIQ-UHFFFAOYSA-N 0 1 386.279 3.472 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000911413231 982421307 /nfs/dbraw/zinc/42/13/07/982421307.db2.gz UTPVGJJSFISFSM-HSEKIMEOSA-N 0 1 382.460 3.264 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911445457 982433914 /nfs/dbraw/zinc/43/39/14/982433914.db2.gz VSHYFUYSKQECAB-OAHLLOKOSA-N 0 1 383.286 3.094 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001595751481 982435369 /nfs/dbraw/zinc/43/53/69/982435369.db2.gz SORQCZMVQQMELK-OAHLLOKOSA-N 0 1 391.487 3.246 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001595751724 982436343 /nfs/dbraw/zinc/43/63/43/982436343.db2.gz VTTXWUNYPSGKEP-ROUUACIJSA-N 0 1 391.560 3.357 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001595751698 982436511 /nfs/dbraw/zinc/43/65/11/982436511.db2.gz VEXZEJQGICODIS-GOSISDBHSA-N 0 1 376.497 3.151 20 0 GGADMN O=C([O-])c1cc(Br)cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000911462385 982444312 /nfs/dbraw/zinc/44/43/12/982444312.db2.gz MSDMQZUMMRGLAH-HNNXBMFYSA-N 0 1 395.297 3.284 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000911468300 982448040 /nfs/dbraw/zinc/44/80/40/982448040.db2.gz ZUUFDUWRNJBYEI-UHFFFAOYSA-N 0 1 393.487 3.366 20 0 GGADMN CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595755969 982451261 /nfs/dbraw/zinc/45/12/61/982451261.db2.gz NEJWXKLDARXYJO-BBRMVZONSA-N 0 1 386.414 3.459 20 0 GGADMN CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595755970 982451274 /nfs/dbraw/zinc/45/12/74/982451274.db2.gz NEJWXKLDARXYJO-CJNGLKHVSA-N 0 1 386.414 3.459 20 0 GGADMN CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595755971 982452739 /nfs/dbraw/zinc/45/27/39/982452739.db2.gz NEJWXKLDARXYJO-CZUORRHYSA-N 0 1 386.414 3.459 20 0 GGADMN CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756067 982453394 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ZINC001596334653 983777758 /nfs/dbraw/zinc/77/77/58/983777758.db2.gz QHXLVKVYWJWOIU-UHFFFAOYSA-N 0 1 381.420 3.459 20 0 GGADMN CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])CCC(F)(F)F ZINC001596334879 983778652 /nfs/dbraw/zinc/77/86/52/983778652.db2.gz VNQMRDRRASLDOS-UHFFFAOYSA-N 0 1 386.374 3.262 20 0 GGADMN CC[N@@H+](CCOc1cccc(C(=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001596345839 983795036 /nfs/dbraw/zinc/79/50/36/983795036.db2.gz WCCKQQPYHVLEQL-UHFFFAOYSA-N 0 1 392.496 3.485 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@]2(COC)C(=O)[O-])cc1)C(C)C ZINC001596355732 983821250 /nfs/dbraw/zinc/82/12/50/983821250.db2.gz AWCHLMVCCIMYIJ-OAQYLSRUSA-N 0 1 376.497 3.013 20 0 GGADMN CC[N@@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccc(C(=O)N(C)C)cc1 ZINC001596356670 983825921 /nfs/dbraw/zinc/82/59/21/983825921.db2.gz WKNWLSUMXQGGAA-UHFFFAOYSA-N 0 1 383.492 3.247 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001596367346 983860363 /nfs/dbraw/zinc/86/03/63/983860363.db2.gz GFKGYOXBCKDXPF-PMACEKPBSA-N 0 1 384.451 3.465 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001596367346 983860377 /nfs/dbraw/zinc/86/03/77/983860377.db2.gz GFKGYOXBCKDXPF-PMACEKPBSA-N 0 1 384.451 3.465 20 0 GGADMN CC[N@H+](Cc1ccccc1OCC(=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC001596373222 983876662 /nfs/dbraw/zinc/87/66/62/983876662.db2.gz BXSZQHYSGIJSDK-UHFFFAOYSA-N 0 1 383.492 3.284 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H](C)C1 ZINC001596403812 983968740 /nfs/dbraw/zinc/96/87/40/983968740.db2.gz NTQRRIWOPAIJND-RHSMWYFYSA-N 0 1 379.526 3.447 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)C[C@@H]1C ZINC001596403957 983970435 /nfs/dbraw/zinc/97/04/35/983970435.db2.gz OWAQUFPXYBIQMX-DOTOQJQBSA-N 0 1 399.495 3.215 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001596417415 984039408 /nfs/dbraw/zinc/03/94/08/984039408.db2.gz FFKKOWUVWKYWBC-OAHLLOKOSA-N 0 1 388.493 3.360 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596418187 984042735 /nfs/dbraw/zinc/04/27/35/984042735.db2.gz LRGWWNWDIJSTIC-NQIIRXRSSA-N 0 1 397.519 3.420 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001596418761 984046021 /nfs/dbraw/zinc/04/60/21/984046021.db2.gz TYKVBHNEENDSOC-LJQANCHMSA-N 0 1 396.487 3.146 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001596418804 984046515 /nfs/dbraw/zinc/04/65/15/984046515.db2.gz VAXOSUVIYFIPPH-YSIASYRMSA-N 0 1 388.508 3.096 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001596423714 984065864 /nfs/dbraw/zinc/06/58/64/984065864.db2.gz DTBSJDBEXQHBTE-RTBURBONSA-N 0 1 397.523 3.121 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001596425279 984071719 /nfs/dbraw/zinc/07/17/19/984071719.db2.gz SJAGHPGDAJHCFV-GOSISDBHSA-N 0 1 389.544 3.111 20 0 GGADMN CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001596434849 984114819 /nfs/dbraw/zinc/11/48/19/984114819.db2.gz ZRCCCEYERTUMSZ-UHFFFAOYSA-N 0 1 398.507 3.076 20 0 GGADMN CC[N@H+]1CCN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C[C@H]1C ZINC001596436109 984115553 /nfs/dbraw/zinc/11/55/53/984115553.db2.gz GUOSNTOYYZGBNA-OAHLLOKOSA-N 0 1 388.464 3.091 20 0 GGADMN CC[N@H+]1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)C1 ZINC001596436649 984123198 /nfs/dbraw/zinc/12/31/98/984123198.db2.gz YGJQNESTQXGBOI-LBPRGKRZSA-N 0 1 397.306 3.403 20 0 GGADMN CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C(=O)[O-])cc3C)cn2)CC1 ZINC001596438236 984126796 /nfs/dbraw/zinc/12/67/96/984126796.db2.gz CJYLSXMCZWWRFT-QGZVFWFLSA-N 0 1 382.508 3.081 20 0 GGADMN CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C(=O)[O-])cc3C)cn2)CC1 ZINC001596438233 984126912 /nfs/dbraw/zinc/12/69/12/984126912.db2.gz CJYLSXMCZWWRFT-KRWDZBQOSA-N 0 1 382.508 3.081 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3c(C)csc3C(=O)[O-])cc2F)CC1 ZINC001596438554 984128067 /nfs/dbraw/zinc/12/80/67/984128067.db2.gz JOULOEAGVZAOKU-UHFFFAOYSA-N 0 1 391.468 3.288 20 0 GGADMN CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3S[C@@H](C)C(=O)[O-])sc2C1 ZINC001596445094 984147391 /nfs/dbraw/zinc/14/73/91/984147391.db2.gz ZUAAGPSFJCQDHU-NSHDSACASA-N 0 1 391.518 3.339 20 0 GGADMN CC[N@H+]1CCc2nc(NC(=O)c3ccccc3S[C@@H](C)C(=O)[O-])sc2C1 ZINC001596445094 984147393 /nfs/dbraw/zinc/14/73/93/984147393.db2.gz ZUAAGPSFJCQDHU-NSHDSACASA-N 0 1 391.518 3.339 20 0 GGADMN CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1Br ZINC001596473413 984201126 /nfs/dbraw/zinc/20/11/26/984201126.db2.gz QEGRKTGSXUBUQZ-CQSZACIVSA-N 0 1 399.285 3.248 20 0 GGADMN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1Br ZINC001596473413 984201130 /nfs/dbraw/zinc/20/11/30/984201130.db2.gz QEGRKTGSXUBUQZ-CQSZACIVSA-N 0 1 399.285 3.248 20 0 GGADMN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC001596561106 984439249 /nfs/dbraw/zinc/43/92/49/984439249.db2.gz XNQVHUGKUZHTLM-HSZRJFAPSA-N 0 1 381.472 3.454 20 0 GGADMN CCOC(=O)CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001596587208 984519379 /nfs/dbraw/zinc/51/93/79/984519379.db2.gz BQGYOVCFGCHXCE-UHFFFAOYSA-N 0 1 386.286 3.315 20 0 GGADMN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617215 984587837 /nfs/dbraw/zinc/58/78/37/984587837.db2.gz MMQLNUDYWWZQHU-GOEBONIOSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617216 984587922 /nfs/dbraw/zinc/58/79/22/984587922.db2.gz MMQLNUDYWWZQHU-HOCLYGCPSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001596621994 984596903 /nfs/dbraw/zinc/59/69/03/984596903.db2.gz CWWCNQVMYLIUNB-UHFFFAOYSA-N 0 1 381.472 3.411 20 0 GGADMN CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001596621994 984596907 /nfs/dbraw/zinc/59/69/07/984596907.db2.gz CWWCNQVMYLIUNB-UHFFFAOYSA-N 0 1 381.472 3.411 20 0 GGADMN CCOC(=O)COc1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001596628794 984608930 /nfs/dbraw/zinc/60/89/30/984608930.db2.gz KGBMSVDFCQXKBZ-PMACEKPBSA-N 0 1 383.444 3.419 20 0 GGADMN CCOC(=O)[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C[C@H]1C(F)(F)F ZINC001596683067 984772751 /nfs/dbraw/zinc/77/27/51/984772751.db2.gz FFOKJMDIHGCJKX-WZRBSPASSA-N 0 1 379.762 3.139 20 0 GGADMN CCOC(=O)[C@@]1(F)C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1CC ZINC001596685392 984783412 /nfs/dbraw/zinc/78/34/12/984783412.db2.gz LOGUFTOGGNIXCN-FKIZINRSSA-N 0 1 394.418 3.129 20 0 GGADMN CCOC(=O)[C@@]1(F)C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H]1CC ZINC001596685392 984783416 /nfs/dbraw/zinc/78/34/16/984783416.db2.gz LOGUFTOGGNIXCN-FKIZINRSSA-N 0 1 394.418 3.129 20 0 GGADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC001596690966 984799659 /nfs/dbraw/zinc/79/96/59/984799659.db2.gz AOQATMPREPUBBG-UHFFFAOYSA-N 0 1 386.370 3.492 20 0 GGADMN CCOC(=O)c1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)[nH]c1C ZINC001596706392 984907613 /nfs/dbraw/zinc/90/76/13/984907613.db2.gz HYEMJBUIQGUIEO-UHFFFAOYSA-N 0 1 395.253 3.250 20 0 GGADMN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001588995537 984925716 /nfs/dbraw/zinc/92/57/16/984925716.db2.gz MEYZALRWBVOHQN-KXXVWKPMSA-N 0 1 385.291 3.404 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](OC)C[C@@H]3C(=O)[O-])o2)cc1 ZINC001596714395 984941802 /nfs/dbraw/zinc/94/18/02/984941802.db2.gz ODADHNHGWGQUSA-SJLPKXTDSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](OC)C[C@@H]3C(=O)[O-])o2)cc1 ZINC001596714395 984941807 /nfs/dbraw/zinc/94/18/07/984941807.db2.gz ODADHNHGWGQUSA-SJLPKXTDSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C(=O)[O-])o2)cc1 ZINC001596714392 984941835 /nfs/dbraw/zinc/94/18/35/984941835.db2.gz ODADHNHGWGQUSA-FUHWJXTLSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](OC)C[C@@H]3C(=O)[O-])o2)cc1 ZINC001596714392 984941837 /nfs/dbraw/zinc/94/18/37/984941837.db2.gz ODADHNHGWGQUSA-FUHWJXTLSA-N 0 1 387.432 3.187 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)(C(=O)[O-])CC1 ZINC001599908358 984951775 /nfs/dbraw/zinc/95/17/75/984951775.db2.gz VVKUGGNUNIHLKZ-KNBMTAEXSA-N 0 1 394.462 3.294 20 0 GGADMN CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CC[C@@]3(C(=O)[O-])CCC[C@@H]13)n2CC ZINC001596729487 984990431 /nfs/dbraw/zinc/99/04/31/984990431.db2.gz REOVJOIPFDYKGL-UTKZUKDTSA-N 0 1 385.464 3.062 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC001596754738 985117854 /nfs/dbraw/zinc/11/78/54/985117854.db2.gz UVEAUMBCLXVRHD-UHFFFAOYSA-N 0 1 379.416 3.037 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC001599920156 985119749 /nfs/dbraw/zinc/11/97/49/985119749.db2.gz STELREZWZWAOJL-JOZSIVFUSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC[C@H]1C(=O)[O-] ZINC001599920217 985121190 /nfs/dbraw/zinc/12/11/90/985121190.db2.gz JALLSJZZZVOHFM-DFQSSKMNSA-N 0 1 399.535 3.041 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@]1(C)C(=O)[O-] ZINC001599920250 985122299 /nfs/dbraw/zinc/12/22/99/985122299.db2.gz KEXLLHVJJNCGHB-KPLVRAHFSA-N 0 1 399.535 3.041 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755780 985131233 /nfs/dbraw/zinc/13/12/33/985131233.db2.gz IDCCXTLDSWSZLG-WFASDCNBSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755780 985131237 /nfs/dbraw/zinc/13/12/37/985131237.db2.gz IDCCXTLDSWSZLG-WFASDCNBSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)nc1C ZINC001596756390 985134651 /nfs/dbraw/zinc/13/46/51/985134651.db2.gz SRHDDEGJJGHXNS-AWEZNQCLSA-N 0 1 392.452 3.455 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])c(CC)o3)C2)nc1C ZINC001596756403 985136352 /nfs/dbraw/zinc/13/63/52/985136352.db2.gz SVBYMNFFIGCTBM-GFCCVEGCSA-N 0 1 392.477 3.471 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cs1)c1ccccc1F ZINC001589054005 985150480 /nfs/dbraw/zinc/15/04/80/985150480.db2.gz GGOFIVNDWDLNLN-BXUZGUMPSA-N 0 1 377.441 3.262 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cs1)c1ccccc1F ZINC001589054005 985150485 /nfs/dbraw/zinc/15/04/85/985150485.db2.gz GGOFIVNDWDLNLN-BXUZGUMPSA-N 0 1 377.441 3.262 20 0 GGADMN CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC001596761329 985151494 /nfs/dbraw/zinc/15/14/94/985151494.db2.gz QOPBIDIPNWVQAA-SMDDNHRTSA-N 0 1 395.452 3.281 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599927831 985238491 /nfs/dbraw/zinc/23/84/91/985238491.db2.gz KFTVDPZOXHRZIO-JBYOLUDKSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(I)c(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC001599929407 985280642 /nfs/dbraw/zinc/28/06/42/985280642.db2.gz QJKPTDDWGBGQMK-XPTSAGLGSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)cc2)CC[C@H]1C(=O)[O-] ZINC001599929682 985288871 /nfs/dbraw/zinc/28/88/71/985288871.db2.gz HGDXKMMLPWUPKR-XHDPSFHLSA-N 0 1 378.270 3.382 20 0 GGADMN C[C@@H]1CN(CC[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC001599929776 985290224 /nfs/dbraw/zinc/29/02/24/985290224.db2.gz NQMFJTYNKUYGRQ-BFQNTYOBSA-N 0 1 375.296 3.160 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(C(=O)[O-])s3)n2)O1 ZINC001599929953 985293186 /nfs/dbraw/zinc/29/31/86/985293186.db2.gz JXPLSNGISNJEPJ-JSGCOSHPSA-N 0 1 385.445 3.458 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(C(=O)[O-])s3)n2)O1 ZINC001599929953 985293192 /nfs/dbraw/zinc/29/31/92/985293192.db2.gz JXPLSNGISNJEPJ-JSGCOSHPSA-N 0 1 385.445 3.458 20 0 GGADMN CCOC1CC([N@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001596810674 985353069 /nfs/dbraw/zinc/35/30/69/985353069.db2.gz HEBDQBMZOYHHRM-PNESKVBLSA-N 0 1 380.510 3.009 20 0 GGADMN CCOC1CC([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001596810674 985353081 /nfs/dbraw/zinc/35/30/81/985353081.db2.gz HEBDQBMZOYHHRM-PNESKVBLSA-N 0 1 380.510 3.009 20 0 GGADMN CCOC1CC([N@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001596810672 985353517 /nfs/dbraw/zinc/35/35/17/985353517.db2.gz HEBDQBMZOYHHRM-HIFPTAJRSA-N 0 1 380.510 3.009 20 0 GGADMN CCOC1CC([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001596810672 985353532 /nfs/dbraw/zinc/35/35/32/985353532.db2.gz HEBDQBMZOYHHRM-HIFPTAJRSA-N 0 1 380.510 3.009 20 0 GGADMN CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811163 985360570 /nfs/dbraw/zinc/36/05/70/985360570.db2.gz ONQHWRIYKHDUJK-KBPBESRZSA-N 0 1 380.510 3.281 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811163 985360585 /nfs/dbraw/zinc/36/05/85/985360585.db2.gz ONQHWRIYKHDUJK-KBPBESRZSA-N 0 1 380.510 3.281 20 0 GGADMN CCOC1CC([N@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001596811515 985364235 /nfs/dbraw/zinc/36/42/35/985364235.db2.gz VOAQLHZXFOWZMU-UHFFFAOYSA-N 0 1 375.252 3.129 20 0 GGADMN CCOC1CC([N@@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001596811515 985364248 /nfs/dbraw/zinc/36/42/48/985364248.db2.gz VOAQLHZXFOWZMU-UHFFFAOYSA-N 0 1 375.252 3.129 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001589140093 985450279 /nfs/dbraw/zinc/45/02/79/985450279.db2.gz YMVYIGIKRJVMPE-UHFFFAOYSA-N 0 1 383.473 3.133 20 0 GGADMN CCO[C@H]1C[C@@]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)(C(=O)[O-])C1(C)C ZINC001596833915 985472587 /nfs/dbraw/zinc/47/25/87/985472587.db2.gz SCQSKIHYISADCZ-HRAATJIYSA-N 0 1 376.497 3.305 20 0 GGADMN CCO[C@@H]1C[C@@]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)(C(=O)[O-])C1(C)C ZINC001596834459 985479444 /nfs/dbraw/zinc/47/94/44/985479444.db2.gz ZUIGJXFHQYWQHV-IIBYNOLFSA-N 0 1 376.497 3.171 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594474128 985479626 /nfs/dbraw/zinc/47/96/26/985479626.db2.gz XKXKUFHZRRSJNS-ROUUACIJSA-N 0 1 395.503 3.232 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC001599943927 985491012 /nfs/dbraw/zinc/49/10/12/985491012.db2.gz GIOGBRINFKUHSC-IRXDYDNUSA-N 0 1 383.492 3.280 20 0 GGADMN CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001589166111 985510883 /nfs/dbraw/zinc/51/08/83/985510883.db2.gz CFEKMJWRQQRTDK-AWEZNQCLSA-N 0 1 381.270 3.094 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(C)c1C(=O)[O-] ZINC001599945021 985511295 /nfs/dbraw/zinc/51/12/95/985511295.db2.gz MPVFBZCKKSRNLJ-SNVBAGLBSA-N 0 1 376.350 3.267 20 0 GGADMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001589166884 985520077 /nfs/dbraw/zinc/52/00/77/985520077.db2.gz WMMFBNYDKZXVQH-ZDUSSCGKSA-N 0 1 376.844 3.099 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c(C)c1C(=O)[O-] ZINC001599945568 985522496 /nfs/dbraw/zinc/52/24/96/985522496.db2.gz PJTYJDIYPHPPMO-HNNXBMFYSA-N 0 1 376.403 3.498 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c(C)c1C(=O)[O-] ZINC001599945568 985522504 /nfs/dbraw/zinc/52/25/04/985522504.db2.gz PJTYJDIYPHPPMO-HNNXBMFYSA-N 0 1 376.403 3.498 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001599945871 985525512 /nfs/dbraw/zinc/52/55/12/985525512.db2.gz ZGBBEFXQOHPIRJ-SFHVURJKSA-N 0 1 384.476 3.274 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c(C)c1C(=O)[O-] ZINC001599945879 985526231 /nfs/dbraw/zinc/52/62/31/985526231.db2.gz ZHSRQOYNIIGVQX-UHFFFAOYSA-N 0 1 384.476 3.320 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C)c1C(=O)[O-] ZINC001599945961 985527241 /nfs/dbraw/zinc/52/72/41/985527241.db2.gz QIEXHFUJKZPRLS-GOEBONIOSA-N 0 1 392.459 3.334 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C)c1C(=O)[O-] ZINC001599945963 985527337 /nfs/dbraw/zinc/52/73/37/985527337.db2.gz QIEXHFUJKZPRLS-HOCLYGCPSA-N 0 1 392.459 3.334 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945986 985528844 /nfs/dbraw/zinc/52/88/44/985528844.db2.gz QMEKLTHXCPLMKO-HOTGVXAUSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945986 985528846 /nfs/dbraw/zinc/52/88/46/985528846.db2.gz QMEKLTHXCPLMKO-HOTGVXAUSA-N 0 1 398.507 3.313 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001594482178 985535914 /nfs/dbraw/zinc/53/59/14/985535914.db2.gz LBJCZRCTDVPGGS-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001594482178 985535923 /nfs/dbraw/zinc/53/59/23/985535923.db2.gz LBJCZRCTDVPGGS-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001594482180 985536035 /nfs/dbraw/zinc/53/60/35/985536035.db2.gz LBJCZRCTDVPGGS-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001594482180 985536045 /nfs/dbraw/zinc/53/60/45/985536045.db2.gz LBJCZRCTDVPGGS-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)c(C)c1C(=O)[O-] ZINC001599947616 985556087 /nfs/dbraw/zinc/55/60/87/985556087.db2.gz QVTZVFLNHKOIBF-JTQLQIEISA-N 0 1 376.840 3.452 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)c(C)c1C(=O)[O-] ZINC001599947617 985556101 /nfs/dbraw/zinc/55/61/01/985556101.db2.gz QVTZVFLNHKOIBF-SNVBAGLBSA-N 0 1 376.840 3.452 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC001594485607 985557355 /nfs/dbraw/zinc/55/73/55/985557355.db2.gz FAAZYDILXOVBAO-CABCVRRESA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC001594485607 985557360 /nfs/dbraw/zinc/55/73/60/985557360.db2.gz FAAZYDILXOVBAO-CABCVRRESA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC[N@H+]1CCC(=O)[O-] ZINC001594488532 985584513 /nfs/dbraw/zinc/58/45/13/985584513.db2.gz GIUXIDHPGWBOLE-OAHLLOKOSA-N 0 1 393.443 3.116 20 0 GGADMN Cc1[nH]c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599950244 985595313 /nfs/dbraw/zinc/59/53/13/985595313.db2.gz GGLRZFZQZJYHTG-XKQJLSEDSA-N 0 1 383.492 3.453 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001594490148 985598919 /nfs/dbraw/zinc/59/89/19/985598919.db2.gz WMSAAEKUFVSDMG-GFCCVEGCSA-N 0 1 395.297 3.236 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594493580 985616546 /nfs/dbraw/zinc/61/65/46/985616546.db2.gz DCCDQAICYOAIHL-QZTJIDSGSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594494000 985620742 /nfs/dbraw/zinc/62/07/42/985620742.db2.gz IHODZSMGZOANIS-OAHLLOKOSA-N 0 1 386.423 3.239 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC[N@H+]1CCC(=O)[O-] ZINC001594494073 985623250 /nfs/dbraw/zinc/62/32/50/985623250.db2.gz JZEPZAYDHCKASR-OAHLLOKOSA-N 0 1 393.443 3.116 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC001589195904 985623362 /nfs/dbraw/zinc/62/33/62/985623362.db2.gz MKRXNZATMRIALS-OAQYLSRUSA-N 0 1 391.427 3.152 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)cc(=O)oc2c1 ZINC001589204196 985658918 /nfs/dbraw/zinc/65/89/18/985658918.db2.gz NGIWHBMEFGUYII-CEXWTWQISA-N 0 1 398.459 3.217 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001589206498 985678786 /nfs/dbraw/zinc/67/87/86/985678786.db2.gz SCAAEZQELZSFDK-UHFFFAOYSA-N 0 1 388.851 3.434 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001589206498 985678790 /nfs/dbraw/zinc/67/87/90/985678790.db2.gz SCAAEZQELZSFDK-UHFFFAOYSA-N 0 1 388.851 3.434 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001599955354 985679275 /nfs/dbraw/zinc/67/92/75/985679275.db2.gz HGTIOZMJOJXYQF-INIZCTEOSA-N 0 1 381.432 3.184 20 0 GGADMN Cc1[nH]c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c(C)c1C(=O)[O-] ZINC001599955994 985689523 /nfs/dbraw/zinc/68/95/23/985689523.db2.gz INFRLJMHTDDXHQ-UHFFFAOYSA-N 0 1 376.482 3.195 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001599957217 985710041 /nfs/dbraw/zinc/71/00/41/985710041.db2.gz JEJHSCYVUVYLAN-OAHLLOKOSA-N 0 1 395.500 3.075 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001599957217 985710049 /nfs/dbraw/zinc/71/00/49/985710049.db2.gz JEJHSCYVUVYLAN-OAHLLOKOSA-N 0 1 395.500 3.075 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC001599958416 985730010 /nfs/dbraw/zinc/73/00/10/985730010.db2.gz BLWJJWQLIUPISU-UHFFFAOYSA-N 0 1 380.448 3.199 20 0 GGADMN C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Br)CC[N@H+](C2CCC2)C1 ZINC001594507997 985739143 /nfs/dbraw/zinc/73/91/43/985739143.db2.gz PJRZNYTZCIXBEX-SUMWQHHRSA-N 0 1 381.314 3.381 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001599959456 985753916 /nfs/dbraw/zinc/75/39/16/985753916.db2.gz NWMPDWLLHJGBHS-WIYYLYMNSA-N 0 1 395.503 3.191 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@@H](C(=O)[O-])CN1C[C@@H]1CCC(F)(F)C1 ZINC001594509147 985769086 /nfs/dbraw/zinc/76/90/86/985769086.db2.gz PHNQPQKYDBPCBJ-KBUPBQIOSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@@H](C(=O)[O-])C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001594509147 985769095 /nfs/dbraw/zinc/76/90/95/985769095.db2.gz PHNQPQKYDBPCBJ-KBUPBQIOSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@@H](C(=O)[O-])C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001594509147 985769103 /nfs/dbraw/zinc/76/91/03/985769103.db2.gz PHNQPQKYDBPCBJ-KBUPBQIOSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@@H](C(=O)[O-])CN1C[C@H]1CCC(F)(F)C1 ZINC001594509149 985769567 /nfs/dbraw/zinc/76/95/67/985769567.db2.gz PHNQPQKYDBPCBJ-LXTVHRRPSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@@H](C(=O)[O-])C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001594509149 985769572 /nfs/dbraw/zinc/76/95/72/985769572.db2.gz PHNQPQKYDBPCBJ-LXTVHRRPSA-N 0 1 380.426 3.317 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)[C@@H](C(=O)[O-])C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001594509149 985769574 /nfs/dbraw/zinc/76/95/74/985769574.db2.gz PHNQPQKYDBPCBJ-LXTVHRRPSA-N 0 1 380.426 3.317 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC001599961162 985784824 /nfs/dbraw/zinc/78/48/24/985784824.db2.gz QHLHLKKQFXBDJQ-QMMMGPOBSA-N 0 1 383.217 3.456 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001594512824 985786272 /nfs/dbraw/zinc/78/62/72/985786272.db2.gz CAHUSRMNRWEHKP-JTQLQIEISA-N 0 1 395.233 3.093 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001594512824 985786275 /nfs/dbraw/zinc/78/62/75/985786275.db2.gz CAHUSRMNRWEHKP-JTQLQIEISA-N 0 1 395.233 3.093 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001599961480 985789774 /nfs/dbraw/zinc/78/97/74/985789774.db2.gz YVSRWAYIYBHTOK-UHFFFAOYSA-N 0 1 376.403 3.437 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C(=O)[O-] ZINC001599961757 985795172 /nfs/dbraw/zinc/79/51/72/985795172.db2.gz ATDRJWNKFYYNKQ-OAHLLOKOSA-N 0 1 399.495 3.253 20 0 GGADMN Cc1[nH]c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)cc1C(=O)[O-] ZINC001599961839 985797430 /nfs/dbraw/zinc/79/74/30/985797430.db2.gz JQJJJPCVSGZDLP-NFAWXSAZSA-N 0 1 379.501 3.393 20 0 GGADMN Cc1[nH]c(C[NH+]2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)cc1C(=O)[O-] ZINC001599961911 985798754 /nfs/dbraw/zinc/79/87/54/985798754.db2.gz DGADQCAGEIOTQB-UHFFFAOYSA-N 0 1 391.537 3.345 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001599962471 985815262 /nfs/dbraw/zinc/81/52/62/985815262.db2.gz ICTQLKGXKLTJLI-UHFFFAOYSA-N 0 1 390.871 3.415 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001599962471 985815283 /nfs/dbraw/zinc/81/52/83/985815283.db2.gz ICTQLKGXKLTJLI-UHFFFAOYSA-N 0 1 390.871 3.415 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001594514380 985835294 /nfs/dbraw/zinc/83/52/94/985835294.db2.gz GPPYCRDPQHWCME-SIKLNZKXSA-N 0 1 394.515 3.410 20 0 GGADMN CC(=O)c1[nH]c(CC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(C(=O)[O-])c1C ZINC001589244449 985846610 /nfs/dbraw/zinc/84/66/10/985846610.db2.gz RXZWRMICASETFB-UHFFFAOYSA-N 0 1 391.855 3.120 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001594515937 985888450 /nfs/dbraw/zinc/88/84/50/985888450.db2.gz LFYYMQDZMNMMTO-QGPMSJSTSA-N 0 1 393.915 3.167 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC001594516111 985892289 /nfs/dbraw/zinc/89/22/89/985892289.db2.gz SPQRYMUUDNCFEE-OAHLLOKOSA-N 0 1 378.538 3.084 20 0 GGADMN Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC001599965797 985902977 /nfs/dbraw/zinc/90/29/77/985902977.db2.gz XYGHYKBLGOTFTB-UHFFFAOYSA-N 0 1 395.503 3.469 20 0 GGADMN Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC001599965797 985902988 /nfs/dbraw/zinc/90/29/88/985902988.db2.gz XYGHYKBLGOTFTB-UHFFFAOYSA-N 0 1 395.503 3.469 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC001594516683 985911551 /nfs/dbraw/zinc/91/15/51/985911551.db2.gz QTEIRGLFMODNSU-HNNXBMFYSA-N 0 1 380.444 3.136 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001594516632 985911751 /nfs/dbraw/zinc/91/17/51/985911751.db2.gz ZGHYWYYTQMDKGZ-HNNXBMFYSA-N 0 1 380.916 3.306 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001594516733 985913871 /nfs/dbraw/zinc/91/38/71/985913871.db2.gz RLJJAJJVPWEWSQ-HNAYVOBHSA-N 0 1 381.476 3.018 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC001594516890 985920050 /nfs/dbraw/zinc/92/00/50/985920050.db2.gz WANQQEFYAALDNV-FZKQIMNGSA-N 0 1 397.466 3.242 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)[C@H](C)C1 ZINC001596916635 985947680 /nfs/dbraw/zinc/94/76/80/985947680.db2.gz HCAFCOQLDUWMIL-CJNGLKHVSA-N 0 1 395.475 3.091 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])sc2C)[C@@H](C)C1 ZINC001596916551 985947847 /nfs/dbraw/zinc/94/78/47/985947847.db2.gz FEWXIRDXNXUUAC-JSGCOSHPSA-N 0 1 383.514 3.013 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])sc2C)[C@H](C)C1 ZINC001596916553 985948952 /nfs/dbraw/zinc/94/89/52/985948952.db2.gz FEWXIRDXNXUUAC-TZMCWYRMSA-N 0 1 383.514 3.013 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001594519409 985952682 /nfs/dbraw/zinc/95/26/82/985952682.db2.gz UHXOHAGOTCHCND-KRWDZBQOSA-N 0 1 397.475 3.169 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001594520006 985969477 /nfs/dbraw/zinc/96/94/77/985969477.db2.gz JJIHMVJFVJUHEQ-LLVKDONJSA-N 0 1 396.274 3.163 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+](C)CC1(c2ccccc2)CC1 ZINC001599970077 985990651 /nfs/dbraw/zinc/99/06/51/985990651.db2.gz KVOUTFQPBPAMMR-UHFFFAOYSA-N 0 1 378.270 3.273 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cccc(Br)c1Cl ZINC001594524690 986024967 /nfs/dbraw/zinc/02/49/67/986024967.db2.gz CDPOSKBOOQFHFE-NSHDSACASA-N 0 1 375.694 3.083 20 0 GGADMN CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001589298325 986049531 /nfs/dbraw/zinc/04/95/31/986049531.db2.gz COZGBZRVCHPOBQ-UHFFFAOYSA-N 0 1 384.407 3.113 20 0 GGADMN CC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001589298325 986049544 /nfs/dbraw/zinc/04/95/44/986049544.db2.gz COZGBZRVCHPOBQ-UHFFFAOYSA-N 0 1 384.407 3.113 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cc(Cl)cc(Br)c1 ZINC001594526351 986050832 /nfs/dbraw/zinc/05/08/32/986050832.db2.gz VSXXZGZYNDBYJN-NSHDSACASA-N 0 1 375.694 3.083 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001589299457 986053585 /nfs/dbraw/zinc/05/35/85/986053585.db2.gz IOMKRAPUJGTXGO-ORAYPTAESA-N 0 1 394.427 3.248 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001589309170 986077184 /nfs/dbraw/zinc/07/71/84/986077184.db2.gz HMBQRHSDZLRJIK-YJYMSZOUSA-N 0 1 394.427 3.248 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001589309168 986077439 /nfs/dbraw/zinc/07/74/39/986077439.db2.gz HMBQRHSDZLRJIK-ORAYPTAESA-N 0 1 394.427 3.248 20 0 GGADMN CCOCN(C(=O)C[NH+]1CCC(CC(=O)[O-])CC1)c1c(C)cccc1CC ZINC001596945690 986086150 /nfs/dbraw/zinc/08/61/50/986086150.db2.gz NHNZZECJIPHQLC-UHFFFAOYSA-N 0 1 376.497 3.071 20 0 GGADMN Cc1c(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)cnn1-c1cc[nH+]cc1 ZINC001599975911 986090714 /nfs/dbraw/zinc/09/07/14/986090714.db2.gz XTVZOIKTHSXTCO-UHFFFAOYSA-N 0 1 376.416 3.473 20 0 GGADMN C[C@@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594532098 986129426 /nfs/dbraw/zinc/12/94/26/986129426.db2.gz TYXXQMVWMQJFQG-UZRURVBFSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532098 986129430 /nfs/dbraw/zinc/12/94/30/986129430.db2.gz TYXXQMVWMQJFQG-UZRURVBFSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532098 986129435 /nfs/dbraw/zinc/12/94/35/986129435.db2.gz TYXXQMVWMQJFQG-UZRURVBFSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594532166 986130840 /nfs/dbraw/zinc/13/08/40/986130840.db2.gz VACDINYAYDKJTB-RVXYDWPOSA-N 0 1 389.492 3.463 20 0 GGADMN Cc1c(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001599978901 986133728 /nfs/dbraw/zinc/13/37/28/986133728.db2.gz OPVPVMTYZQFRIL-FQEVSTJZSA-N 0 1 398.850 3.045 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC[C@H]1C(=O)OC(C)(C)C ZINC001594535220 986146490 /nfs/dbraw/zinc/14/64/90/986146490.db2.gz MFFHYABCEVKHFF-GOEBONIOSA-N 0 1 376.497 3.322 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Oc3ccccc3CC(=O)[O-])cc2)C[C@@H](C)O1 ZINC001594537350 986160077 /nfs/dbraw/zinc/16/00/77/986160077.db2.gz HHUSVSSAENPWIJ-HZPDHXFCSA-N 0 1 383.444 3.142 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2)C[C@H](C)O1 ZINC001594542131 986178252 /nfs/dbraw/zinc/17/82/52/986178252.db2.gz DHRTXKZKCNVPGS-HOTGVXAUSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542254 986181475 /nfs/dbraw/zinc/18/14/75/986181475.db2.gz IBHCWZXCFMRAKI-UZLBHIALSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543824 986196210 /nfs/dbraw/zinc/19/62/10/986196210.db2.gz BQJXAXLODJATCW-HXOBKFHXSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543824 986196214 /nfs/dbraw/zinc/19/62/14/986196214.db2.gz BQJXAXLODJATCW-HXOBKFHXSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543824 986196216 /nfs/dbraw/zinc/19/62/16/986196216.db2.gz BQJXAXLODJATCW-HXOBKFHXSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001594543855 986196230 /nfs/dbraw/zinc/19/62/30/986196230.db2.gz BVVFKIHZIREXOD-UWJYYQICSA-N 0 1 395.503 3.024 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594545043 986206723 /nfs/dbraw/zinc/20/67/23/986206723.db2.gz ONNGLLPEAGCJGF-FOIQADDNSA-N 0 1 399.466 3.485 20 0 GGADMN Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cnn1-c1cc[nH+]cc1 ZINC001599984246 986208327 /nfs/dbraw/zinc/20/83/27/986208327.db2.gz UQFMLFIZBLYFEO-UHFFFAOYSA-N 0 1 380.404 3.313 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001594545369 986208498 /nfs/dbraw/zinc/20/84/98/986208498.db2.gz QXIZOXKRGHEKJL-LAUBAEHRSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594545994 986215302 /nfs/dbraw/zinc/21/53/02/986215302.db2.gz XKOSDVJVKXGQIS-OYWYANMWSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589342696 986271827 /nfs/dbraw/zinc/27/18/27/986271827.db2.gz QSIJOVHFQRPKPD-OFQRWUPVSA-N 0 1 379.526 3.240 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001589349720 986301998 /nfs/dbraw/zinc/30/19/98/986301998.db2.gz KGEDCYPIYUVYQF-CRAIPNDOSA-N 0 1 383.492 3.059 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589352043 986319725 /nfs/dbraw/zinc/31/97/25/986319725.db2.gz DLYHVEZGVSYGIV-VGSWGCGISA-N 0 1 392.499 3.346 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589352039 986319900 /nfs/dbraw/zinc/31/99/00/986319900.db2.gz DLYHVEZGVSYGIV-HTAPYJJXSA-N 0 1 392.499 3.346 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)c1ccccc1 ZINC001594568863 986374669 /nfs/dbraw/zinc/37/46/69/986374669.db2.gz KUFRYOQWIIGNGG-KSZLIROESA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)c1ccccc1 ZINC001594568863 986374676 /nfs/dbraw/zinc/37/46/76/986374676.db2.gz KUFRYOQWIIGNGG-KSZLIROESA-N 0 1 395.503 3.161 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001597016513 986381230 /nfs/dbraw/zinc/38/12/30/986381230.db2.gz DGHWDNHLQCAMAO-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001597016629 986383635 /nfs/dbraw/zinc/38/36/35/986383635.db2.gz HNGFJJRASZZKRH-UHFFFAOYSA-N 0 1 397.475 3.176 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC001594569856 986385877 /nfs/dbraw/zinc/38/58/77/986385877.db2.gz NJUBMTLCUBODPY-HNNXBMFYSA-N 0 1 385.439 3.063 20 0 GGADMN C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589364819 986388224 /nfs/dbraw/zinc/38/82/24/986388224.db2.gz MNXUQLZVJLCOTG-CQSZACIVSA-N 0 1 382.485 3.270 20 0 GGADMN C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589364819 986388233 /nfs/dbraw/zinc/38/82/33/986388233.db2.gz MNXUQLZVJLCOTG-CQSZACIVSA-N 0 1 382.485 3.270 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001597017240 986392383 /nfs/dbraw/zinc/39/23/83/986392383.db2.gz WFVPHYYWRMSMOJ-SFHVURJKSA-N 0 1 383.448 3.304 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001597017240 986392393 /nfs/dbraw/zinc/39/23/93/986392393.db2.gz WFVPHYYWRMSMOJ-SFHVURJKSA-N 0 1 383.448 3.304 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC001594570414 986392514 /nfs/dbraw/zinc/39/25/14/986392514.db2.gz SDSJHOUBNXBKMP-VGOFRKELSA-N 0 1 396.487 3.263 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC001594570658 986393846 /nfs/dbraw/zinc/39/38/46/986393846.db2.gz TUAZIWWAAUDQQH-HNNXBMFYSA-N 0 1 382.489 3.343 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)Nc1ccccc1F ZINC001594570798 986397733 /nfs/dbraw/zinc/39/77/33/986397733.db2.gz VCGLOUACRJGLJU-HNNXBMFYSA-N 0 1 385.439 3.063 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC001597020497 986401809 /nfs/dbraw/zinc/40/18/09/986401809.db2.gz KCCUJMXSZHAKAK-UHFFFAOYSA-N 0 1 398.463 3.409 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001594571143 986404026 /nfs/dbraw/zinc/40/40/26/986404026.db2.gz ZUPMXLOYZHUBSI-DLBZAZTESA-N 0 1 387.524 3.075 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C 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/nfs/dbraw/zinc/43/63/67/986436367.db2.gz YKUJLTAIIFFBHL-IAGOWNOFSA-N 0 1 396.487 3.338 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030404 986444298 /nfs/dbraw/zinc/44/42/98/986444298.db2.gz AFZRUQZUCQZAEJ-YOEHRIQHSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030401 986444454 /nfs/dbraw/zinc/44/44/54/986444454.db2.gz AFZRUQZUCQZAEJ-PBHICJAKSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030411 986444531 /nfs/dbraw/zinc/44/45/31/986444531.db2.gz AKAIFKHRTRVMCC-WMLDXEAASA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc(Cl)c1O ZINC001597030482 986445719 /nfs/dbraw/zinc/44/57/19/986445719.db2.gz COZSVMQNIISSHU-JKSUJKDBSA-N 0 1 391.851 3.450 20 0 GGADMN CCOc1cc(F)cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001597036563 986479000 /nfs/dbraw/zinc/47/90/00/986479000.db2.gz IYPYLFYBRRZRMX-KRWDZBQOSA-N 0 1 396.459 3.120 20 0 GGADMN CCOc1cc(F)cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001597036563 986479003 /nfs/dbraw/zinc/47/90/03/986479003.db2.gz IYPYLFYBRRZRMX-KRWDZBQOSA-N 0 1 396.459 3.120 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3CCSC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC001597049569 986522710 /nfs/dbraw/zinc/52/27/10/986522710.db2.gz WARJGXZKCOMEBA-AWEZNQCLSA-N 0 1 378.519 3.458 20 0 GGADMN CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001597073838 986595513 /nfs/dbraw/zinc/59/55/13/986595513.db2.gz CSXDKMKOWSIWBH-GOSISDBHSA-N 0 1 376.478 3.186 20 0 GGADMN CCOc1ccc([C@H](O)C2CC[NH+](Cc3nc(C(=O)[O-])cs3)CC2)cc1 ZINC001597074068 986596645 /nfs/dbraw/zinc/59/66/45/986596645.db2.gz HPJQEDMELSMNNS-SFHVURJKSA-N 0 1 376.478 3.186 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001597082191 986632494 /nfs/dbraw/zinc/63/24/94/986632494.db2.gz ZMHIEMQNGMCCCO-JQVVWYNYSA-N 0 1 386.492 3.078 20 0 GGADMN C[C@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001594623429 986675552 /nfs/dbraw/zinc/67/55/52/986675552.db2.gz CBPNLLPTHHYYSY-INIZCTEOSA-N 0 1 393.487 3.239 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589431087 986724096 /nfs/dbraw/zinc/72/40/96/986724096.db2.gz DJFKOIMUBSCDEI-GOEBONIOSA-N 0 1 384.480 3.227 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435514 986745588 /nfs/dbraw/zinc/74/55/88/986745588.db2.gz KQXXVRVFGIOJAM-MNOVXSKESA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435514 986745592 /nfs/dbraw/zinc/74/55/92/986745592.db2.gz KQXXVRVFGIOJAM-MNOVXSKESA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436242 986749830 /nfs/dbraw/zinc/74/98/30/986749830.db2.gz RGQBCISNFRNAIZ-MNOVXSKESA-N 0 1 395.431 3.326 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436242 986749842 /nfs/dbraw/zinc/74/98/42/986749842.db2.gz RGQBCISNFRNAIZ-MNOVXSKESA-N 0 1 395.431 3.326 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440291 986784734 /nfs/dbraw/zinc/78/47/34/986784734.db2.gz WEVANQAJTMFSBX-HJPURHCSSA-N 0 1 396.487 3.249 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC001589443815 986790505 /nfs/dbraw/zinc/79/05/05/986790505.db2.gz BPYLZFOVBZXDOR-WAIKUNEKSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC001589443815 986790517 /nfs/dbraw/zinc/79/05/17/986790517.db2.gz BPYLZFOVBZXDOR-WAIKUNEKSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589444172 986795828 /nfs/dbraw/zinc/79/58/28/986795828.db2.gz FTRQEQOQXCDYNC-OTYXRUKQSA-N 0 1 398.303 3.371 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589444172 986795839 /nfs/dbraw/zinc/79/58/39/986795839.db2.gz FTRQEQOQXCDYNC-OTYXRUKQSA-N 0 1 398.303 3.371 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589444219 986797629 /nfs/dbraw/zinc/79/76/29/986797629.db2.gz GWFDYSMYNMHKEW-GFCCVEGCSA-N 0 1 378.375 3.445 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589444219 986797641 /nfs/dbraw/zinc/79/76/41/986797641.db2.gz GWFDYSMYNMHKEW-GFCCVEGCSA-N 0 1 378.375 3.445 20 0 GGADMN C[C@H]1OCC[C@@]12C[N@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001594642204 986803567 /nfs/dbraw/zinc/80/35/67/986803567.db2.gz HPGPHAUMVMWILT-UZUQRXQVSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001594642204 986803576 /nfs/dbraw/zinc/80/35/76/986803576.db2.gz HPGPHAUMVMWILT-UZUQRXQVSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001589445025 986807009 /nfs/dbraw/zinc/80/70/09/986807009.db2.gz MZRBSDGICDLMLA-UXLLHSPISA-N 0 1 380.444 3.040 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001589445025 986807016 /nfs/dbraw/zinc/80/70/16/986807016.db2.gz MZRBSDGICDLMLA-UXLLHSPISA-N 0 1 380.444 3.040 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001589445223 986809694 /nfs/dbraw/zinc/80/96/94/986809694.db2.gz XFNVYBKXAIOWNV-HWLIBYHHSA-N 0 1 382.485 3.427 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001589445223 986809701 /nfs/dbraw/zinc/80/97/01/986809701.db2.gz XFNVYBKXAIOWNV-HWLIBYHHSA-N 0 1 382.485 3.427 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589445310 986811045 /nfs/dbraw/zinc/81/10/45/986811045.db2.gz RAQGHILLDYNXEV-HNNXBMFYSA-N 0 1 393.443 3.157 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589445310 986811056 /nfs/dbraw/zinc/81/10/56/986811056.db2.gz RAQGHILLDYNXEV-HNNXBMFYSA-N 0 1 393.443 3.157 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC001589445316 986811647 /nfs/dbraw/zinc/81/16/47/986811647.db2.gz ZDGSJIQMGBTQFQ-BUXKBTBVSA-N 0 1 391.468 3.463 20 0 GGADMN CCOc1ccccc1-c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c1 ZINC001597167393 986991056 /nfs/dbraw/zinc/99/10/56/986991056.db2.gz NCUJIKHVYOQFPK-QGZVFWFLSA-N 0 1 396.487 3.373 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597172497 987004216 /nfs/dbraw/zinc/00/42/16/987004216.db2.gz FQPMFUUTUXDHDU-AEFFLSMTSA-N 0 1 390.524 3.475 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCC1 ZINC001589479348 987008296 /nfs/dbraw/zinc/00/82/96/987008296.db2.gz QRBMDNNIIKUXEW-VIFPVBQESA-N 0 1 389.677 3.369 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCC1 ZINC001589479348 987008302 /nfs/dbraw/zinc/00/83/02/987008302.db2.gz QRBMDNNIIKUXEW-VIFPVBQESA-N 0 1 389.677 3.369 20 0 GGADMN CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)[C@H](C)C1 ZINC001597172910 987009231 /nfs/dbraw/zinc/00/92/31/987009231.db2.gz SWKMHGRGWBRXSH-MRXNPFEDSA-N 0 1 385.508 3.137 20 0 GGADMN CCOc1ccccc1C[N@H+]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)[C@H](C)C1 ZINC001597172910 987009243 /nfs/dbraw/zinc/00/92/43/987009243.db2.gz SWKMHGRGWBRXSH-MRXNPFEDSA-N 0 1 385.508 3.137 20 0 GGADMN CCOc1ccccc1CN1CC[N@@H+](Cc2ccccc2CC(=O)[O-])[C@@H](C)C1 ZINC001597173017 987010593 /nfs/dbraw/zinc/01/05/93/987010593.db2.gz WDTQVOIOTIDYKA-SFHVURJKSA-N 0 1 382.504 3.419 20 0 GGADMN CCOc1ccccc1C[N@@H+]1CCN(Cc2ccccc2CC(=O)[O-])[C@@H](C)C1 ZINC001597173017 987010609 /nfs/dbraw/zinc/01/06/09/987010609.db2.gz WDTQVOIOTIDYKA-SFHVURJKSA-N 0 1 382.504 3.419 20 0 GGADMN CCOc1ccccc1C[N@H+]1CCN(Cc2ccccc2CC(=O)[O-])[C@@H](C)C1 ZINC001597173017 987010617 /nfs/dbraw/zinc/01/06/17/987010617.db2.gz WDTQVOIOTIDYKA-SFHVURJKSA-N 0 1 382.504 3.419 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480058 987015041 /nfs/dbraw/zinc/01/50/41/987015041.db2.gz XHKXPBGUVHLOFC-ORAYPTAESA-N 0 1 390.480 3.420 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480058 987015046 /nfs/dbraw/zinc/01/50/46/987015046.db2.gz XHKXPBGUVHLOFC-ORAYPTAESA-N 0 1 390.480 3.420 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CCC1 ZINC001589486961 987040046 /nfs/dbraw/zinc/04/00/46/987040046.db2.gz WBEOEMDHOUBMJP-OAHLLOKOSA-N 0 1 395.459 3.205 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CCC1 ZINC001589486961 987040055 /nfs/dbraw/zinc/04/00/55/987040055.db2.gz WBEOEMDHOUBMJP-OAHLLOKOSA-N 0 1 395.459 3.205 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCC1 ZINC001589487168 987042821 /nfs/dbraw/zinc/04/28/21/987042821.db2.gz SMZXWSUKLZMYTI-GFCCVEGCSA-N 0 1 381.473 3.262 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)C1CCC1 ZINC001589487168 987042833 /nfs/dbraw/zinc/04/28/33/987042833.db2.gz SMZXWSUKLZMYTI-GFCCVEGCSA-N 0 1 381.473 3.262 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001597179996 987042804 /nfs/dbraw/zinc/04/28/04/987042804.db2.gz WNGCPZBWVUCLCN-ROUUACIJSA-N 0 1 382.460 3.214 20 0 GGADMN CCOc1ccccc1OCC[NH+]1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001597185229 987047006 /nfs/dbraw/zinc/04/70/06/987047006.db2.gz NGEUOUWKWJJCND-UHFFFAOYSA-N 0 1 376.478 3.046 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504507 987114368 /nfs/dbraw/zinc/11/43/68/987114368.db2.gz MLNYINLRLANILR-OXJNMPFZSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504507 987114374 /nfs/dbraw/zinc/11/43/74/987114374.db2.gz MLNYINLRLANILR-OXJNMPFZSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504505 987114611 /nfs/dbraw/zinc/11/46/11/987114611.db2.gz MLNYINLRLANILR-JXFKEZNVSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504505 987114614 /nfs/dbraw/zinc/11/46/14/987114614.db2.gz MLNYINLRLANILR-JXFKEZNVSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001589508002 987126467 /nfs/dbraw/zinc/12/64/67/987126467.db2.gz GOUUGZJVRBUOJB-QGZVFWFLSA-N 0 1 381.476 3.267 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001589513201 987156331 /nfs/dbraw/zinc/15/63/31/987156331.db2.gz PAYYGWLKKGSXQY-CVAIRZPRSA-N 0 1 381.476 3.342 20 0 GGADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001589533766 987228190 /nfs/dbraw/zinc/22/81/90/987228190.db2.gz SPILULFFOVHTGP-OXJNMPFZSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001589533766 987228196 /nfs/dbraw/zinc/22/81/96/987228196.db2.gz SPILULFFOVHTGP-OXJNMPFZSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001589533770 987228455 /nfs/dbraw/zinc/22/84/55/987228455.db2.gz SPILULFFOVHTGP-UZLBHIALSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001589533770 987228464 /nfs/dbraw/zinc/22/84/64/987228464.db2.gz SPILULFFOVHTGP-UZLBHIALSA-N 0 1 382.460 3.104 20 0 GGADMN CC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)c1ccccc1F ZINC001597291564 987379059 /nfs/dbraw/zinc/37/90/59/987379059.db2.gz LWOPJUXEMVHPTL-GFCCVEGCSA-N 0 1 375.425 3.371 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001589610846 987459180 /nfs/dbraw/zinc/45/91/80/987459180.db2.gz WCKKEXHMKOBXKK-SJLPKXTDSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001589611014 987460304 /nfs/dbraw/zinc/46/03/04/987460304.db2.gz YRPVEVXMKZWGDL-SJLPKXTDSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC001589612234 987472084 /nfs/dbraw/zinc/47/20/84/987472084.db2.gz UKIKTXRVNUPJJM-GFCCVEGCSA-N 0 1 392.406 3.168 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616197 987476121 /nfs/dbraw/zinc/47/61/21/987476121.db2.gz MYAKGVYUEAYFEU-UONOGXRCSA-N 0 1 398.425 3.200 20 0 GGADMN CC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001597338863 987477390 /nfs/dbraw/zinc/47/73/90/987477390.db2.gz AQMRCWLFCCGPJF-ZRCGQRJVSA-N 0 1 380.488 3.056 20 0 GGADMN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC001589620435 987495330 /nfs/dbraw/zinc/49/53/30/987495330.db2.gz DROJAXJFIBBLQE-UHFFFAOYSA-N 0 1 395.233 3.093 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597363372 987529546 /nfs/dbraw/zinc/52/95/46/987529546.db2.gz HILYWHFPBVSNJH-GOSISDBHSA-N 0 1 385.508 3.470 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c(C)c1C(=O)[O-] ZINC001597366587 987537518 /nfs/dbraw/zinc/53/75/18/987537518.db2.gz GYTTVUYVXNRXJM-KRWDZBQOSA-N 0 1 395.459 3.438 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c(C)c1C(=O)[O-] ZINC001597367933 987545641 /nfs/dbraw/zinc/54/56/41/987545641.db2.gz DYJZNSZPMQCOFA-MRXNPFEDSA-N 0 1 375.513 3.358 20 0 GGADMN CCc1[nH]c(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)cc1C(=O)[O-] ZINC001597383159 987581620 /nfs/dbraw/zinc/58/16/20/987581620.db2.gz BRYKXJKJDHDOKZ-UHFFFAOYSA-N 0 1 377.485 3.108 20 0 GGADMN CCc1[nH]c(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C(=O)[O-] ZINC001597384227 987587106 /nfs/dbraw/zinc/58/71/06/987587106.db2.gz IMJVODLYCPWYRC-FQEVSTJZSA-N 0 1 377.485 3.108 20 0 GGADMN CCc1[nH]c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)cc1C(=O)[O-] ZINC001597384336 987587772 /nfs/dbraw/zinc/58/77/72/987587772.db2.gz JSBADAVBCZLYHZ-NRFANRHFSA-N 0 1 396.491 3.228 20 0 GGADMN CCc1[nH]c(C[N@H+](CCO)Cc2cc(Br)cs2)cc1C(=O)[O-] ZINC001597384361 987588432 /nfs/dbraw/zinc/58/84/32/987588432.db2.gz KPBRTNUBOPMZJC-UHFFFAOYSA-N 0 1 387.299 3.094 20 0 GGADMN CCc1[nH]c(C[N@@H+](CCO)Cc2cc(Br)cs2)cc1C(=O)[O-] ZINC001597384361 987588435 /nfs/dbraw/zinc/58/84/35/987588435.db2.gz KPBRTNUBOPMZJC-UHFFFAOYSA-N 0 1 387.299 3.094 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001597385034 987593223 /nfs/dbraw/zinc/59/32/23/987593223.db2.gz PQHWUNROBHHRQH-CQSZACIVSA-N 0 1 379.501 3.402 20 0 GGADMN CCc1[nH]c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1C(=O)[O-] ZINC001597386984 987610389 /nfs/dbraw/zinc/61/03/89/987610389.db2.gz SISJTLQLZJKRQF-MRXNPFEDSA-N 0 1 377.485 3.299 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCC2)cc1C(=O)[O-] ZINC001597386984 987610394 /nfs/dbraw/zinc/61/03/94/987610394.db2.gz SISJTLQLZJKRQF-MRXNPFEDSA-N 0 1 377.485 3.299 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1C(=O)[O-] ZINC001597387267 987614541 /nfs/dbraw/zinc/61/45/41/987614541.db2.gz ZFORVJCLMJVUTK-QGZVFWFLSA-N 0 1 399.491 3.414 20 0 GGADMN CCc1[nH]c(C[NH2+][C@H](CCO)c2ccccc2Br)cc1C(=O)[O-] ZINC001597391319 987620116 /nfs/dbraw/zinc/62/01/16/987620116.db2.gz KGNDQSRZQMZYQX-MRXNPFEDSA-N 0 1 381.270 3.251 20 0 GGADMN CCc1[nH]c(C[N@H+]2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1C(=O)[O-] ZINC001597392875 987629337 /nfs/dbraw/zinc/62/93/37/987629337.db2.gz ZHSGCQMOUJDBAZ-OYRHEFFESA-N 0 1 391.512 3.354 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001589690910 987756061 /nfs/dbraw/zinc/75/60/61/987756061.db2.gz KEUGZIDJPYVMOC-MZEUMTGBSA-N 0 1 388.508 3.038 20 0 GGADMN CC(C)(C)[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(=O)[O-] ZINC001589718044 987871479 /nfs/dbraw/zinc/87/14/79/987871479.db2.gz XBVZLEQTJVXKQN-SUMWQHHRSA-N 0 1 389.477 3.108 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC001597460277 987889270 /nfs/dbraw/zinc/88/92/70/987889270.db2.gz VBNIWMCZPJWFMI-UHFFFAOYSA-N 0 1 379.420 3.158 20 0 GGADMN CCc1ccc([C@H](NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)C(C)C)cc1 ZINC001597514002 988117047 /nfs/dbraw/zinc/11/70/47/988117047.db2.gz GILOHIZQKKHPIL-OXJNMPFZSA-N 0 1 375.513 3.137 20 0 GGADMN CCc1ccc([C@H](NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)C(C)C)cc1 ZINC001597514003 988117405 /nfs/dbraw/zinc/11/74/05/988117405.db2.gz GILOHIZQKKHPIL-OXQOHEQNSA-N 0 1 375.513 3.137 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CC2)cc1 ZINC001597526007 988168362 /nfs/dbraw/zinc/16/83/62/988168362.db2.gz GGZXSGHFOIAFRO-UHFFFAOYSA-N 0 1 397.475 3.062 20 0 GGADMN CCc1ccc(C[NH+]2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)s1 ZINC001597527919 988177415 /nfs/dbraw/zinc/17/74/15/988177415.db2.gz SHMFADGLQJAMFD-MRXNPFEDSA-N 0 1 388.533 3.480 20 0 GGADMN CCc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cc1 ZINC001597528349 988178731 /nfs/dbraw/zinc/17/87/31/988178731.db2.gz ZFUBDMNMYVGHCP-UHFFFAOYSA-N 0 1 395.503 3.012 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001589806161 988227712 /nfs/dbraw/zinc/22/77/12/988227712.db2.gz LUCQQVVWHLDKKG-MRXNPFEDSA-N 0 1 387.249 3.298 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001589806820 988234288 /nfs/dbraw/zinc/23/42/88/988234288.db2.gz UWFXHAPPSUHJJP-FQEVSTJZSA-N 0 1 390.411 3.296 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806786 988235142 /nfs/dbraw/zinc/23/51/42/988235142.db2.gz UOWQXSYGYNQPBL-IERDGZPVSA-N 0 1 376.472 3.133 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589814881 988249531 /nfs/dbraw/zinc/24/95/31/988249531.db2.gz JTJMOIKEDFSCGW-YESZJQIVSA-N 0 1 393.915 3.022 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001589816116 988257609 /nfs/dbraw/zinc/25/76/09/988257609.db2.gz VMEDMQVNSDYEDS-MRXNPFEDSA-N 0 1 379.526 3.389 20 0 GGADMN CCc1ccc2c(C[NH+]3CCN(c4ccc(C(=O)[O-])s4)CC3)cc(=O)oc2c1 ZINC001597563577 988315334 /nfs/dbraw/zinc/31/53/34/988315334.db2.gz PJOPAWNVLUCGFK-UHFFFAOYSA-N 0 1 398.484 3.437 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001599812600 988363386 /nfs/dbraw/zinc/36/33/86/988363386.db2.gz HYUHOMGVDCBBIQ-MRXNPFEDSA-N 0 1 378.538 3.190 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815931 988424335 /nfs/dbraw/zinc/42/43/35/988424335.db2.gz JDYCMLJTHUFQNK-YCRPNKLZSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599815940 988424465 /nfs/dbraw/zinc/42/44/65/988424465.db2.gz JNQBFLGKAQTNSU-AWEZNQCLSA-N 0 1 388.489 3.331 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599815940 988424468 /nfs/dbraw/zinc/42/44/68/988424468.db2.gz JNQBFLGKAQTNSU-AWEZNQCLSA-N 0 1 388.489 3.331 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815930 988424522 /nfs/dbraw/zinc/42/45/22/988424522.db2.gz JDYCMLJTHUFQNK-VFNWGFHPSA-N 0 1 384.501 3.464 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001589860216 988427317 /nfs/dbraw/zinc/42/73/17/988427317.db2.gz MYGUXSUKURJYCR-LBPRGKRZSA-N 0 1 384.270 3.311 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001589860216 988427320 /nfs/dbraw/zinc/42/73/20/988427320.db2.gz MYGUXSUKURJYCR-LBPRGKRZSA-N 0 1 384.270 3.311 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)[O-])o2)C1 ZINC001589860499 988431491 /nfs/dbraw/zinc/43/14/91/988431491.db2.gz UNWZVAXZLGTSDA-JKSUJKDBSA-N 0 1 392.496 3.277 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816566 988436289 /nfs/dbraw/zinc/43/62/89/988436289.db2.gz ZKMPUBTWVVORHI-MEBBXXQBSA-N 0 1 376.400 3.075 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816566 988436302 /nfs/dbraw/zinc/43/63/02/988436302.db2.gz ZKMPUBTWVVORHI-MEBBXXQBSA-N 0 1 376.400 3.075 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816567 988436789 /nfs/dbraw/zinc/43/67/89/988436789.db2.gz ZKMPUBTWVVORHI-ZUZCIYMTSA-N 0 1 376.400 3.075 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816567 988436795 /nfs/dbraw/zinc/43/67/95/988436795.db2.gz ZKMPUBTWVVORHI-ZUZCIYMTSA-N 0 1 376.400 3.075 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccc(O)c2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865486 988457875 /nfs/dbraw/zinc/45/78/75/988457875.db2.gz CCHZBRZQMRVLNM-DMAKZNTKSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2CCCC3(CCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589865997 988464394 /nfs/dbraw/zinc/46/43/94/988464394.db2.gz JJKDXLMFCSNXIL-CXIVCQEWSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589872046 988502130 /nfs/dbraw/zinc/50/21/30/988502130.db2.gz NISTVHGSSANJPD-QGZVFWFLSA-N 0 1 390.480 3.300 20 0 GGADMN CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589872046 988502143 /nfs/dbraw/zinc/50/21/43/988502143.db2.gz NISTVHGSSANJPD-QGZVFWFLSA-N 0 1 390.480 3.300 20 0 GGADMN CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C1CCOCC1 ZINC001589873846 988522492 /nfs/dbraw/zinc/52/24/92/988522492.db2.gz FPVCHLXXGDFTAC-UHFFFAOYSA-N 0 1 381.444 3.237 20 0 GGADMN CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822865 988545417 /nfs/dbraw/zinc/54/54/17/988545417.db2.gz ZUFZPJOUMFYXDN-BTYIYWSLSA-N 0 1 384.501 3.464 20 0 GGADMN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001589883543 988560273 /nfs/dbraw/zinc/56/02/73/988560273.db2.gz ONODPEZOOJZYFE-UHFFFAOYSA-N 0 1 385.501 3.007 20 0 GGADMN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001589883543 988560281 /nfs/dbraw/zinc/56/02/81/988560281.db2.gz ONODPEZOOJZYFE-UHFFFAOYSA-N 0 1 385.501 3.007 20 0 GGADMN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])CCc1ccccc1Br ZINC001589883886 988564072 /nfs/dbraw/zinc/56/40/72/988564072.db2.gz UYUVWEJTUMFOEV-UHFFFAOYSA-N 0 1 386.286 3.110 20 0 GGADMN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])CCc1ccccc1Br ZINC001589883886 988564078 /nfs/dbraw/zinc/56/40/78/988564078.db2.gz UYUVWEJTUMFOEV-UHFFFAOYSA-N 0 1 386.286 3.110 20 0 GGADMN CSc1ccccc1C[N@H+](C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001599824110 988566599 /nfs/dbraw/zinc/56/65/99/988566599.db2.gz RDZNWIYUVQZLSP-CQSZACIVSA-N 0 1 376.503 3.406 20 0 GGADMN CSc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001599824110 988566604 /nfs/dbraw/zinc/56/66/04/988566604.db2.gz RDZNWIYUVQZLSP-CQSZACIVSA-N 0 1 376.503 3.406 20 0 GGADMN CSc1ccccc1C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599824304 988570039 /nfs/dbraw/zinc/57/00/39/988570039.db2.gz WNPPZNBZZOUYAV-HNNXBMFYSA-N 0 1 380.510 3.305 20 0 GGADMN CC(C)(C)OC(=O)C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1 ZINC001589890259 988570629 /nfs/dbraw/zinc/57/06/29/988570629.db2.gz BIAWSZUCQMPRJG-UHFFFAOYSA-N 0 1 383.872 3.361 20 0 GGADMN CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1 ZINC001589890259 988570635 /nfs/dbraw/zinc/57/06/35/988570635.db2.gz BIAWSZUCQMPRJG-UHFFFAOYSA-N 0 1 383.872 3.361 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599824973 988583333 /nfs/dbraw/zinc/58/33/33/988583333.db2.gz ACAKDYXSMDYSJY-LBPRGKRZSA-N 0 1 391.518 3.381 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001599825190 988587027 /nfs/dbraw/zinc/58/70/27/988587027.db2.gz LGOGNFCVSUQHCM-UHFFFAOYSA-N 0 1 386.473 3.330 20 0 GGADMN CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599825246 988588141 /nfs/dbraw/zinc/58/81/41/988588141.db2.gz NWKABYUYBKZPHL-AWEZNQCLSA-N 0 1 388.489 3.331 20 0 GGADMN CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599825246 988588147 /nfs/dbraw/zinc/58/81/47/988588147.db2.gz NWKABYUYBKZPHL-AWEZNQCLSA-N 0 1 388.489 3.331 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@](C)(C(=O)[O-])C2)[C@@H](O)c2ccccc21 ZINC001589928622 988677904 /nfs/dbraw/zinc/67/79/04/988677904.db2.gz GXAHBCFCOQUXPI-XGHQBKJUSA-N 0 1 390.480 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@](C)(C(=O)[O-])C2)[C@@H](O)c2ccccc21 ZINC001589928620 988677953 /nfs/dbraw/zinc/67/79/53/988677953.db2.gz GXAHBCFCOQUXPI-FIKGOQFSSA-N 0 1 390.480 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+]([C@H]1CCCc3ccccc31)C[C@@H]2C(=O)[O-] ZINC001589941469 988722163 /nfs/dbraw/zinc/72/21/63/988722163.db2.gz JKVAONIYJZVPBR-MSOLQXFVSA-N 0 1 386.492 3.318 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@H]2C(=O)[O-] ZINC001589947004 988735424 /nfs/dbraw/zinc/73/54/24/988735424.db2.gz DHFZZPXZTHUDMT-KGLIPLIRSA-N 0 1 388.455 3.065 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C/c1cccc(F)c1)C[C@@H]2C(=O)[O-] ZINC001589947593 988736359 /nfs/dbraw/zinc/73/63/59/988736359.db2.gz GGMGKXIDLFJTTD-QQOXCAACSA-N 0 1 390.455 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCc1ccc(Cl)cc1)C[C@H]2C(=O)[O-] ZINC001589948620 988741980 /nfs/dbraw/zinc/74/19/80/988741980.db2.gz OPDVQHRUQTWAHH-INIZCTEOSA-N 0 1 394.899 3.136 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H]2C(=O)[O-] ZINC001589948622 988742450 /nfs/dbraw/zinc/74/24/50/988742450.db2.gz OPDVQHRUQTWAHH-MRXNPFEDSA-N 0 1 394.899 3.136 20 0 GGADMN CCc1nc(CN2CC[NH+](Cc3ccnc4c(C(=O)[O-])cccc34)CC2)cs1 ZINC001597669191 988757078 /nfs/dbraw/zinc/75/70/78/988757078.db2.gz WXHORPPGVJMBQO-UHFFFAOYSA-N 0 1 396.516 3.270 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1C1CC1)C[C@H]2C(=O)[O-] ZINC001589955381 988759192 /nfs/dbraw/zinc/75/91/92/988759192.db2.gz OHKVFFCINVQNEM-SFHVURJKSA-N 0 1 386.492 3.318 20 0 GGADMN CCc1nc(NC(=O)C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)sc1C ZINC001597678407 988797929 /nfs/dbraw/zinc/79/79/29/988797929.db2.gz OVPLZJWYXODMAW-UHFFFAOYSA-N 0 1 375.494 3.319 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972022 988807458 /nfs/dbraw/zinc/80/74/58/988807458.db2.gz OPIYMALPNMANLI-DLBZAZTESA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972206 988811987 /nfs/dbraw/zinc/81/19/87/988811987.db2.gz XCPVDILKZJQYKT-HOTGVXAUSA-N 0 1 389.496 3.249 20 0 GGADMN CCc1nc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)sc1C(=O)[O-] ZINC001597685048 988825599 /nfs/dbraw/zinc/82/55/99/988825599.db2.gz HQQUJJSSBVOHRH-UHFFFAOYSA-N 0 1 384.461 3.125 20 0 GGADMN CCc1nc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)sc1C(=O)[O-] ZINC001597685048 988825617 /nfs/dbraw/zinc/82/56/17/988825617.db2.gz HQQUJJSSBVOHRH-UHFFFAOYSA-N 0 1 384.461 3.125 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001589974657 988826432 /nfs/dbraw/zinc/82/64/32/988826432.db2.gz REGIOKBRVMYRJS-KGLIPLIRSA-N 0 1 395.525 3.278 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC001599841059 988830386 /nfs/dbraw/zinc/83/03/86/988830386.db2.gz IRMSIPPNRWKAOT-SNVBAGLBSA-N 0 1 382.338 3.415 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)CC1 ZINC001590002650 988920327 /nfs/dbraw/zinc/92/03/27/988920327.db2.gz BSIGHTMMPFZHIU-UHFFFAOYSA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)C2 ZINC001590002652 988920656 /nfs/dbraw/zinc/92/06/56/988920656.db2.gz BWWWOGDRQISUBZ-NRFANRHFSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1nc(C(=O)[O-])cs1)CC2 ZINC001590002667 988921108 /nfs/dbraw/zinc/92/11/08/988921108.db2.gz CAOAYKZFYTZKDW-UHFFFAOYSA-N 0 1 381.498 3.064 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590002978 988925299 /nfs/dbraw/zinc/92/52/99/988925299.db2.gz HFWICIROEKSHQI-IBGZPJMESA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590002978 988925310 /nfs/dbraw/zinc/92/53/10/988925310.db2.gz HFWICIROEKSHQI-IBGZPJMESA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCOc3cccc(C(=O)[O-])c3)CC[C@@H]21 ZINC001590003206 988928046 /nfs/dbraw/zinc/92/80/46/988928046.db2.gz AZTYTXDSPRAXSD-WMZOPIPTSA-N 0 1 390.480 3.095 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])c(F)c1 ZINC001590003270 988930575 /nfs/dbraw/zinc/93/05/75/988930575.db2.gz BXKXADMQLYIYLA-SJORKVTESA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C2 ZINC001590004363 988941723 /nfs/dbraw/zinc/94/17/23/988941723.db2.gz PDXJQHDMWBEBBL-OAQYLSRUSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C2 ZINC001590004360 988941820 /nfs/dbraw/zinc/94/18/20/988941820.db2.gz PDXJQHDMWBEBBL-NRFANRHFSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(/C=C\C(=O)[O-])o3)CC[C@@H]21 ZINC001590004616 988943779 /nfs/dbraw/zinc/94/37/79/988943779.db2.gz LWUYPKUJIUMTPA-FRAJWHGFSA-N 0 1 376.453 3.209 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004967 988946394 /nfs/dbraw/zinc/94/63/94/988946394.db2.gz NFLUCVMFPZBMLM-YOEHRIQHSA-N 0 1 375.469 3.001 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004965 988947030 /nfs/dbraw/zinc/94/70/30/988947030.db2.gz NFLUCVMFPZBMLM-RHSMWYFYSA-N 0 1 375.469 3.001 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001597705781 988948390 /nfs/dbraw/zinc/94/83/90/988948390.db2.gz HIBIQVKJOGROEJ-SZVBFZGTSA-N 0 1 383.492 3.476 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001597705779 988948490 /nfs/dbraw/zinc/94/84/90/988948490.db2.gz HIBIQVKJOGROEJ-SUMDDJOVSA-N 0 1 383.492 3.476 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC[C@@H]21 ZINC001590006292 988959611 /nfs/dbraw/zinc/95/96/11/988959611.db2.gz XVXSXKXURFEAOA-PVAVHDDUSA-N 0 1 378.444 3.283 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+]Cc1ccc(C(=O)[O-])o1)C(F)(F)F ZINC001590018261 989000297 /nfs/dbraw/zinc/00/02/97/989000297.db2.gz JTOKIFISNLVGMP-INIZCTEOSA-N 0 1 392.374 3.399 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018831 989005308 /nfs/dbraw/zinc/00/53/08/989005308.db2.gz PUXZABUUSNXGDY-HZPDHXFCSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018831 989005317 /nfs/dbraw/zinc/00/53/17/989005317.db2.gz PUXZABUUSNXGDY-HZPDHXFCSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+]([C@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024485 989010704 /nfs/dbraw/zinc/01/07/04/989010704.db2.gz AAICOKPILCDBJT-OXJNMPFZSA-N 0 1 375.469 3.073 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@H]2CCCCC2(F)F)[C@H](C(=O)[O-])C1 ZINC001590034378 989044185 /nfs/dbraw/zinc/04/41/85/989044185.db2.gz DQSWVPBGOKBQST-KGLIPLIRSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc3cccnc32)[C@H](C(=O)[O-])C1 ZINC001590034637 989049000 /nfs/dbraw/zinc/04/90/00/989049000.db2.gz IEGFSLVCLSQRMB-KRWDZBQOSA-N 0 1 385.464 3.131 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001590035454 989058917 /nfs/dbraw/zinc/05/89/17/989058917.db2.gz SZDMKWNRPZYIIU-LJQANCHMSA-N 0 1 388.508 3.461 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590042019 989070758 /nfs/dbraw/zinc/07/07/58/989070758.db2.gz DAXATGDEEPXMOY-QWHCGFSZSA-N 0 1 381.498 3.030 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599862324 989188690 /nfs/dbraw/zinc/18/86/90/989188690.db2.gz OTTUGYCTUYAQEX-NVXWUHKLSA-N 0 1 392.496 3.085 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001590084695 989196545 /nfs/dbraw/zinc/19/65/45/989196545.db2.gz HFECUODFUYMUCC-CQSZACIVSA-N 0 1 383.514 3.025 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001597763213 989203442 /nfs/dbraw/zinc/20/34/42/989203442.db2.gz SHDMWSZFCRWDFD-FQEVSTJZSA-N 0 1 378.469 3.373 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3cccc(Cl)c3)C[C@@H]2C1 ZINC001590091048 989204794 /nfs/dbraw/zinc/20/47/94/989204794.db2.gz BWIXGFXZJSFYAE-LZWOXQAQSA-N 0 1 380.872 3.264 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2sc(C[N@@H+]3CC[C@](F)(C(=O)[O-])C3)cc2C1 ZINC001590092921 989220598 /nfs/dbraw/zinc/22/05/98/989220598.db2.gz WBVHNQCZNQKEQN-GOSISDBHSA-N 0 1 384.473 3.040 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2sc(C[N@H+]3CC[C@](F)(C(=O)[O-])C3)cc2C1 ZINC001590092921 989220604 /nfs/dbraw/zinc/22/06/04/989220604.db2.gz WBVHNQCZNQKEQN-GOSISDBHSA-N 0 1 384.473 3.040 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001599864677 989225854 /nfs/dbraw/zinc/22/58/54/989225854.db2.gz DASKWRJRHAJTAY-MRXNPFEDSA-N 0 1 384.476 3.330 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599866347 989265881 /nfs/dbraw/zinc/26/58/81/989265881.db2.gz DPEVFHBNEIDYDM-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599866347 989265895 /nfs/dbraw/zinc/26/58/95/989265895.db2.gz DPEVFHBNEIDYDM-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599866920 989280915 /nfs/dbraw/zinc/28/09/15/989280915.db2.gz KLIHDXMIFZMBCE-SJLPKXTDSA-N 0 1 394.471 3.289 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1CC(=O)[O-] ZINC001599867550 989293867 /nfs/dbraw/zinc/29/38/67/989293867.db2.gz ZLUYMGHJPCUTBW-TZMCWYRMSA-N 0 1 390.281 3.449 20 0 GGADMN CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597791613 989323471 /nfs/dbraw/zinc/32/34/71/989323471.db2.gz SDVHTMMSVCSJIU-NSHDSACASA-N 0 1 378.450 3.163 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001590118466 989330136 /nfs/dbraw/zinc/33/01/36/989330136.db2.gz VVOJEWJJZJJMEV-MGPUTAFESA-N 0 1 398.450 3.263 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001590118469 989330424 /nfs/dbraw/zinc/33/04/24/989330424.db2.gz VVOJEWJJZJJMEV-QRWLVFNGSA-N 0 1 398.450 3.263 20 0 GGADMN CCc1oc(C[N@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC001597797117 989359729 /nfs/dbraw/zinc/35/97/29/989359729.db2.gz VLBNENYRGIJUHW-UHFFFAOYSA-N 0 1 381.375 3.384 20 0 GGADMN CCc1oc(C[N@@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC001597797117 989359738 /nfs/dbraw/zinc/35/97/38/989359738.db2.gz VLBNENYRGIJUHW-UHFFFAOYSA-N 0 1 381.375 3.384 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C2 ZINC001590139469 989402089 /nfs/dbraw/zinc/40/20/89/989402089.db2.gz NSGXHLUZFUFGDT-YWZLYKJASA-N 0 1 378.444 3.403 20 0 GGADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(C(=O)[O-])s1 ZINC001590140469 989411168 /nfs/dbraw/zinc/41/11/68/989411168.db2.gz UMYYSWBFSCFETF-YHWZYXNKSA-N 0 1 381.498 3.252 20 0 GGADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(C(=O)[O-])s1 ZINC001590140469 989411171 /nfs/dbraw/zinc/41/11/71/989411171.db2.gz UMYYSWBFSCFETF-YHWZYXNKSA-N 0 1 381.498 3.252 20 0 GGADMN CCc1onc(C)c1C[N@@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001597813881 989438408 /nfs/dbraw/zinc/43/84/08/989438408.db2.gz UPNWGHSXNQSKGH-HNNXBMFYSA-N 0 1 379.254 3.319 20 0 GGADMN CCc1onc(C)c1C[N@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001597813881 989438411 /nfs/dbraw/zinc/43/84/11/989438411.db2.gz UPNWGHSXNQSKGH-HNNXBMFYSA-N 0 1 379.254 3.319 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001599878192 989447738 /nfs/dbraw/zinc/44/77/38/989447738.db2.gz MWFAKVJIWFDQKN-HUUCEWRRSA-N 0 1 388.464 3.242 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001590169987 989493967 /nfs/dbraw/zinc/49/39/67/989493967.db2.gz OMCJWURPTAYCFO-QVKFZJNVSA-N 0 1 390.480 3.143 20 0 GGADMN C[C@]12CN(C(=O)CC3(CC(=O)[O-])CCCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599885180 989543105 /nfs/dbraw/zinc/54/31/05/989543105.db2.gz XNHBVMGKJQDSFA-KNQAVFIVSA-N 0 1 384.520 3.392 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC001590200577 989561253 /nfs/dbraw/zinc/56/12/53/989561253.db2.gz IGBQDMXZQBXCMI-UHFFFAOYSA-N 0 1 385.464 3.307 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC001590200577 989561259 /nfs/dbraw/zinc/56/12/59/989561259.db2.gz IGBQDMXZQBXCMI-UHFFFAOYSA-N 0 1 385.464 3.307 20 0 GGADMN CCn1c([C@H]2CCCC[N@H+]2C2CCCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001597847587 989567393 /nfs/dbraw/zinc/56/73/93/989567393.db2.gz KLJXUMYBRIQYQJ-OXQOHEQNSA-N 0 1 375.517 3.069 20 0 GGADMN CCn1c([C@@H]2CCCC[N@H+]2C2CCCC2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001597847586 989567910 /nfs/dbraw/zinc/56/79/10/989567910.db2.gz KLJXUMYBRIQYQJ-OXJNMPFZSA-N 0 1 375.517 3.069 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC001590201780 989571552 /nfs/dbraw/zinc/57/15/52/989571552.db2.gz YKZYWBUOHDZDLT-UHFFFAOYSA-N 0 1 399.491 3.349 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC001590206775 989580260 /nfs/dbraw/zinc/58/02/60/989580260.db2.gz SWHOHXDXMGUUNS-JYJNAYRXSA-N 0 1 386.558 3.210 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1CC(=O)[O-])C2 ZINC001590215150 989583726 /nfs/dbraw/zinc/58/37/26/989583726.db2.gz AXTGZXSOCKPANG-AVRDEDQJSA-N 0 1 388.508 3.441 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001590263048 989654620 /nfs/dbraw/zinc/65/46/20/989654620.db2.gz CPMINTSJNJBJPH-ZIAGYGMSSA-N 0 1 388.386 3.430 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@](CC)(COC)C(=O)[O-])ccc21 ZINC001597868220 989659765 /nfs/dbraw/zinc/65/97/65/989659765.db2.gz CSGBMKOMCIYBSU-JOCHJYFZSA-N 0 1 397.475 3.222 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccnc2)C[C@H]1c1ccccc1 ZINC001590267335 989661769 /nfs/dbraw/zinc/66/17/69/989661769.db2.gz AOYVNAZURYJUSY-OTWHNJEPSA-N 0 1 397.475 3.200 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1F ZINC001590268293 989670585 /nfs/dbraw/zinc/67/05/85/989670585.db2.gz WQUBBPXKFRHAPP-RBSFLKMASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1F ZINC001590268293 989670588 /nfs/dbraw/zinc/67/05/88/989670588.db2.gz WQUBBPXKFRHAPP-RBSFLKMASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001590284088 989695271 /nfs/dbraw/zinc/69/52/71/989695271.db2.gz XFCSNXYCDBORCJ-ZDUSSCGKSA-N 0 1 399.285 3.246 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001590284088 989695274 /nfs/dbraw/zinc/69/52/74/989695274.db2.gz XFCSNXYCDBORCJ-ZDUSSCGKSA-N 0 1 399.285 3.246 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001590284295 989696156 /nfs/dbraw/zinc/69/61/56/989696156.db2.gz ZPBVTLCUHVRVNS-HNNXBMFYSA-N 0 1 385.464 3.422 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@]2(C(=O)[O-])C1 ZINC001590291487 989708722 /nfs/dbraw/zinc/70/87/22/989708722.db2.gz QIRAIETYYNLANW-LDBYXDLTSA-N 0 1 392.471 3.058 20 0 GGADMN CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CCCC[C@H]2C(=O)[O-])cn1 ZINC001597882162 989710768 /nfs/dbraw/zinc/71/07/68/989710768.db2.gz KCZKVEUVOJMGLB-HMXCVIKNSA-N 0 1 385.508 3.330 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@]2(C(=O)[O-])C1 ZINC001590295905 989713941 /nfs/dbraw/zinc/71/39/41/989713941.db2.gz CLTSQZGONHLFGA-IAMHBRQHSA-N 0 1 396.434 3.155 20 0 GGADMN CCn1cc(CC[N@@H+](C(C)C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cn1 ZINC001597885348 989724194 /nfs/dbraw/zinc/72/41/94/989724194.db2.gz CZTQCXUZDYJONO-AWEZNQCLSA-N 0 1 392.525 3.251 20 0 GGADMN CCn1cc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c(-c2ccccc2)n1 ZINC001597887069 989730632 /nfs/dbraw/zinc/73/06/32/989730632.db2.gz BQKACLBLKZYGEH-JOCHJYFZSA-N 0 1 383.492 3.152 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC001590304430 989734198 /nfs/dbraw/zinc/73/41/98/989734198.db2.gz ZFOYJHTYHIEDNU-KRWDZBQOSA-N 0 1 383.448 3.440 20 0 GGADMN CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001590472733 990045461 /nfs/dbraw/zinc/04/54/61/990045461.db2.gz WKMUDEUOSPLAPS-AWEZNQCLSA-N 0 1 387.505 3.453 20 0 GGADMN CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001590472733 990045470 /nfs/dbraw/zinc/04/54/70/990045470.db2.gz WKMUDEUOSPLAPS-AWEZNQCLSA-N 0 1 387.505 3.453 20 0 GGADMN CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001590472734 990046727 /nfs/dbraw/zinc/04/67/27/990046727.db2.gz WKMUDEUOSPLAPS-CQSZACIVSA-N 0 1 387.505 3.453 20 0 GGADMN CC(C)(C)c1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001590472734 990046732 /nfs/dbraw/zinc/04/67/32/990046732.db2.gz WKMUDEUOSPLAPS-CQSZACIVSA-N 0 1 387.505 3.453 20 0 GGADMN CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001598023308 990221908 /nfs/dbraw/zinc/22/19/08/990221908.db2.gz LSSCONOTMPXGHZ-MIZPHKNDSA-N 0 1 392.499 3.420 20 0 GGADMN CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001598023310 990222148 /nfs/dbraw/zinc/22/21/48/990222148.db2.gz LSSCONOTMPXGHZ-MZKRTTBSSA-N 0 1 392.499 3.420 20 0 GGADMN CC(C)(CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001590706672 990453145 /nfs/dbraw/zinc/45/31/45/990453145.db2.gz XQTYIYHPEAKPEK-IBGZPJMESA-N 0 1 386.467 3.254 20 0 GGADMN CC(C)(CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001590706673 990453308 /nfs/dbraw/zinc/45/33/08/990453308.db2.gz XQTYIYHPEAKPEK-LJQANCHMSA-N 0 1 386.467 3.254 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(=O)[O-] ZINC001590716675 990478813 /nfs/dbraw/zinc/47/88/13/990478813.db2.gz DQDKOACMJAJROH-RBUKOAKNSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(=O)[O-] ZINC001590717553 990483863 /nfs/dbraw/zinc/48/38/63/990483863.db2.gz PISVVNRPSDIOFB-JOCHJYFZSA-N 0 1 387.524 3.185 20 0 GGADMN CC(C)(CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)CC(=O)[O-] ZINC001590722882 990500085 /nfs/dbraw/zinc/50/00/85/990500085.db2.gz HGVWKVNVOUTTRW-GOSISDBHSA-N 0 1 387.524 3.089 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC001598145273 990615809 /nfs/dbraw/zinc/61/58/09/990615809.db2.gz NROZAYGJFQCMHL-GOSISDBHSA-N 0 1 386.473 3.177 20 0 GGADMN CN(C)C(=O)OC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598146017 990621001 /nfs/dbraw/zinc/62/10/01/990621001.db2.gz OBPWVEFLCVHPTM-CQSZACIVSA-N 0 1 375.252 3.282 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001598162888 990665504 /nfs/dbraw/zinc/66/55/04/990665504.db2.gz MNYJFDGZDCOAIR-GUDVDZBRSA-N 0 1 386.879 3.270 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001598163673 990672218 /nfs/dbraw/zinc/67/22/18/990672218.db2.gz WTNNSHJJIMRHHN-OAHLLOKOSA-N 0 1 382.247 3.006 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001598163681 990672240 /nfs/dbraw/zinc/67/22/40/990672240.db2.gz WWCNPXVIWKJPRT-SCRDCRAPSA-N 0 1 392.805 3.054 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC001598163891 990673479 /nfs/dbraw/zinc/67/34/79/990673479.db2.gz YJAOIZQGRBVORT-XSLAGTTESA-N 0 1 378.900 3.435 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1Br)c1ccco1 ZINC001598173562 990712452 /nfs/dbraw/zinc/71/24/52/990712452.db2.gz DDZHUQDSXTYOIA-LBPRGKRZSA-N 0 1 396.241 3.165 20 0 GGADMN CN(C)CC(C)(C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001598200355 990811949 /nfs/dbraw/zinc/81/19/49/990811949.db2.gz ATOCLMWXTSKMCO-UHFFFAOYSA-N 0 1 385.295 3.307 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Br ZINC001598252449 991032220 /nfs/dbraw/zinc/03/22/20/991032220.db2.gz GNQFWPTWZWUXPC-HAQNSBGRSA-N 0 1 383.286 3.340 20 0 GGADMN C[NH+](C)Cc1ccc(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)c2c1OC(F)(F)O2 ZINC001598253159 991041230 /nfs/dbraw/zinc/04/12/30/991041230.db2.gz YDUWCHDUOQHAMY-UHFFFAOYSA-N 0 1 384.423 3.289 20 0 GGADMN CN(C)Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c2c1OC(F)(F)O2 ZINC001598253159 991041237 /nfs/dbraw/zinc/04/12/37/991041237.db2.gz YDUWCHDUOQHAMY-UHFFFAOYSA-N 0 1 384.423 3.289 20 0 GGADMN CN(C)Cc1ccc(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)c2c1OC(F)(F)O2 ZINC001598253159 991041244 /nfs/dbraw/zinc/04/12/44/991041244.db2.gz YDUWCHDUOQHAMY-UHFFFAOYSA-N 0 1 384.423 3.289 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001590980575 991132578 /nfs/dbraw/zinc/13/25/78/991132578.db2.gz HTIZNMNPCYDPGR-NRFANRHFSA-N 0 1 397.519 3.270 20 0 GGADMN CC(C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001590982450 991151218 /nfs/dbraw/zinc/15/12/18/991151218.db2.gz ODHTYZOXFGYTLY-BHIFYINESA-N 0 1 394.515 3.343 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699111 991192730 /nfs/dbraw/zinc/19/27/30/991192730.db2.gz VNEUVDIXBMEDKU-LSDHHAIUSA-N 0 1 382.460 3.017 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699111 991192733 /nfs/dbraw/zinc/19/27/33/991192733.db2.gz VNEUVDIXBMEDKU-LSDHHAIUSA-N 0 1 382.460 3.017 20 0 GGADMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001590989483 991199258 /nfs/dbraw/zinc/19/92/58/991199258.db2.gz VTDBJEHUXLIJOG-SFHVURJKSA-N 0 1 378.513 3.413 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001590992872 991209455 /nfs/dbraw/zinc/20/94/55/991209455.db2.gz BXSUZJNFNPQTTF-MRXNPFEDSA-N 0 1 393.484 3.047 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001598298394 991232013 /nfs/dbraw/zinc/23/20/13/991232013.db2.gz KMEKZKIRZVXEID-QGZVFWFLSA-N 0 1 388.512 3.369 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008431 991276396 /nfs/dbraw/zinc/27/63/96/991276396.db2.gz YNRFNIKIMNFZDE-IEBWSBKVSA-N 0 1 389.540 3.339 20 0 GGADMN CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008432 991277338 /nfs/dbraw/zinc/27/73/38/991277338.db2.gz YNRFNIKIMNFZDE-MJGOQNOKSA-N 0 1 389.540 3.339 20 0 GGADMN COc1ccccc1/C=C\C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001599704938 991278392 /nfs/dbraw/zinc/27/83/92/991278392.db2.gz CJTFZCNWJPNMBZ-CGQZWFTASA-N 0 1 390.480 3.104 20 0 GGADMN COc1ccccc1C[N@@H+](Cc1ccccc1OCC(=O)[O-])C[C@@H]1CCCO1 ZINC001599711198 991374031 /nfs/dbraw/zinc/37/40/31/991374031.db2.gz KWJMLVGNUPTWNP-IBGZPJMESA-N 0 1 385.460 3.340 20 0 GGADMN COc1ccccc1C[N@H+](Cc1ccccc1OCC(=O)[O-])C[C@@H]1CCCO1 ZINC001599711198 991374036 /nfs/dbraw/zinc/37/40/36/991374036.db2.gz KWJMLVGNUPTWNP-IBGZPJMESA-N 0 1 385.460 3.340 20 0 GGADMN COc1ccccc1C[N@@H+](CCO)Cc1cc(Br)ccc1C(=O)[O-] ZINC001599711267 991374873 /nfs/dbraw/zinc/37/48/73/991374873.db2.gz OKAMVAXITFJDMR-UHFFFAOYSA-N 0 1 394.265 3.150 20 0 GGADMN COc1ccccc1C[N@H+](CCO)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001599711416 991378186 /nfs/dbraw/zinc/37/81/86/991378186.db2.gz XBCUUNKOABAANX-UHFFFAOYSA-N 0 1 383.366 3.407 20 0 GGADMN COc1ccccc1C[N@@H+](CCO)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001599711416 991378191 /nfs/dbraw/zinc/37/81/91/991378191.db2.gz XBCUUNKOABAANX-UHFFFAOYSA-N 0 1 383.366 3.407 20 0 GGADMN COc1ccccc1N1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC001599713426 991410177 /nfs/dbraw/zinc/41/01/77/991410177.db2.gz IXIDWGYCVASHJB-APWZRJJASA-N 0 1 382.460 3.023 20 0 GGADMN COc1ccccc1N1CC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])C1=O ZINC001599713433 991410631 /nfs/dbraw/zinc/41/06/31/991410631.db2.gz IXIDWGYCVASHJB-QFBILLFUSA-N 0 1 382.460 3.023 20 0 GGADMN COc1ccccc1Nc1ccccc1C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001599715674 991450847 /nfs/dbraw/zinc/45/08/47/991450847.db2.gz KPWSBGWGPXOHRW-INIZCTEOSA-N 0 1 397.475 3.060 20 0 GGADMN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)[O-])C1 ZINC001599716021 991456702 /nfs/dbraw/zinc/45/67/02/991456702.db2.gz XTQNCFHRDIVLKO-QGZVFWFLSA-N 0 1 398.459 3.009 20 0 GGADMN CN(C)c1ncc(C[N@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])c2ccccc21 ZINC001598353786 991460152 /nfs/dbraw/zinc/46/01/52/991460152.db2.gz LNNOUDZVGOEXKO-HXUWFJFHSA-N 0 1 377.444 3.321 20 0 GGADMN C[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C(C)(C)CC(=O)[O-] ZINC001598379164 991572962 /nfs/dbraw/zinc/57/29/62/991572962.db2.gz NPJJSPABAYHPGM-UHFFFAOYSA-N 0 1 386.414 3.382 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1cccc2ccccc21 ZINC001598384853 991598523 /nfs/dbraw/zinc/59/85/23/991598523.db2.gz JUEPKTWENSCUCA-JOCHJYFZSA-N 0 1 388.467 3.310 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001591093031 991651744 /nfs/dbraw/zinc/65/17/44/991651744.db2.gz HPXZJXPLQLGOFE-ZCNNSNEGSA-N 0 1 387.524 3.182 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC001591093662 991662079 /nfs/dbraw/zinc/66/20/79/991662079.db2.gz YAMFJVVPUSTUTB-LJQANCHMSA-N 0 1 396.491 3.083 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001591094572 991674499 /nfs/dbraw/zinc/67/44/99/991674499.db2.gz MCLKFRJRMOOURC-IBGZPJMESA-N 0 1 384.520 3.391 20 0 GGADMN CC(C)[C@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001591094573 991674542 /nfs/dbraw/zinc/67/45/42/991674542.db2.gz MCLKFRJRMOOURC-LJQANCHMSA-N 0 1 384.520 3.391 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598397796 991677752 /nfs/dbraw/zinc/67/77/52/991677752.db2.gz UPNGJVBHYVVHRJ-UHFFFAOYSA-N 0 1 380.803 3.013 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598397796 991677757 /nfs/dbraw/zinc/67/77/57/991677757.db2.gz UPNGJVBHYVVHRJ-UHFFFAOYSA-N 0 1 380.803 3.013 20 0 GGADMN C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001598399111 991680967 /nfs/dbraw/zinc/68/09/67/991680967.db2.gz APXLVPVPSBNIGA-MAUKXSAKSA-N 0 1 388.489 3.485 20 0 GGADMN C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598400552 991693412 /nfs/dbraw/zinc/69/34/12/991693412.db2.gz NEEYFIZQCNUYOH-UHFFFAOYSA-N 0 1 396.365 3.239 20 0 GGADMN C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598400552 991693418 /nfs/dbraw/zinc/69/34/18/991693418.db2.gz NEEYFIZQCNUYOH-UHFFFAOYSA-N 0 1 396.365 3.239 20 0 GGADMN CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001591106795 991742393 /nfs/dbraw/zinc/74/23/93/991742393.db2.gz QVTHLNCXYXXMBR-QGZVFWFLSA-N 0 1 386.414 3.412 20 0 GGADMN CC(C)CC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001591106795 991742405 /nfs/dbraw/zinc/74/24/05/991742405.db2.gz QVTHLNCXYXXMBR-QGZVFWFLSA-N 0 1 386.414 3.412 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001591121433 991795447 /nfs/dbraw/zinc/79/54/47/991795447.db2.gz WLZHDJMXRJBVDC-FRRDWIJNSA-N 0 1 382.423 3.263 20 0 GGADMN C[N@@H+](C[C@@H](O)CC1(CO)CCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598432056 991795306 /nfs/dbraw/zinc/79/53/06/991795306.db2.gz AJGDAXQCIRBCFS-XJKSGUPXSA-N 0 1 390.307 3.355 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001591123185 991804795 /nfs/dbraw/zinc/80/47/95/991804795.db2.gz PSSJBEWZTGYLGR-BSDSXHPESA-N 0 1 398.544 3.270 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598435894 991821427 /nfs/dbraw/zinc/82/14/27/991821427.db2.gz AHQCXVSNPXUXIL-IMJJTQAJSA-N 0 1 375.387 3.177 20 0 GGADMN C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598436135 991826097 /nfs/dbraw/zinc/82/60/97/991826097.db2.gz CCWYJUWRBJQUHZ-GUYCJALGSA-N 0 1 387.785 3.418 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1C(=O)[O-] ZINC001599739661 991828508 /nfs/dbraw/zinc/82/85/08/991828508.db2.gz AVTLAUYCQLKSRK-CYBMUJFWSA-N 0 1 399.476 3.015 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1C(=O)[O-] ZINC001599739662 991828815 /nfs/dbraw/zinc/82/88/15/991828815.db2.gz AVTLAUYCQLKSRK-ZDUSSCGKSA-N 0 1 399.476 3.015 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1C(=O)[O-] ZINC001599740273 991839346 /nfs/dbraw/zinc/83/93/46/991839346.db2.gz MAWCIANKISWVOK-LBPRGKRZSA-N 0 1 384.498 3.184 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740301 991839607 /nfs/dbraw/zinc/83/96/07/991839607.db2.gz NMJNAQAUMJKKGF-KGLIPLIRSA-N 0 1 380.441 3.077 20 0 GGADMN C[N@@H+](C[C@@H](O)c1cccc(Br)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC001598437290 991843143 /nfs/dbraw/zinc/84/31/43/991843143.db2.gz QDDAQUOLDOXSAF-CVEARBPZSA-N 0 1 382.229 3.379 20 0 GGADMN COc1nsc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c1C(=O)[O-] ZINC001599740462 991845269 /nfs/dbraw/zinc/84/52/69/991845269.db2.gz UCUZWQSNUMPIJO-MRXNPFEDSA-N 0 1 389.521 3.192 20 0 GGADMN COc1nsc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740642 991848107 /nfs/dbraw/zinc/84/81/07/991848107.db2.gz AKOUMIQKABNWBD-AWEZNQCLSA-N 0 1 382.457 3.181 20 0 GGADMN COc1nsc(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])c1Br ZINC001599741111 991857928 /nfs/dbraw/zinc/85/79/28/991857928.db2.gz RGUBXKRVDBTYOP-UHFFFAOYSA-N 0 1 379.320 3.483 20 0 GGADMN COc1nsc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1C(=O)[O-] ZINC001599741269 991860446 /nfs/dbraw/zinc/86/04/46/991860446.db2.gz BSDMODNFEJOLKS-UHFFFAOYSA-N 0 1 378.784 3.395 20 0 GGADMN C[N@@H+](C[C@]1(O)CCc2ccccc21)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598443893 991874102 /nfs/dbraw/zinc/87/41/02/991874102.db2.gz LOGYDVALZOXUPR-IEBWSBKVSA-N 0 1 390.277 3.341 20 0 GGADMN C[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598453567 991917184 /nfs/dbraw/zinc/91/71/84/991917184.db2.gz PIEKFMGGSWBWAH-MMNRESRNSA-N 0 1 396.528 3.119 20 0 GGADMN C[N@@H+](C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598455949 991935422 /nfs/dbraw/zinc/93/54/22/991935422.db2.gz VLGUACBHPHMZTF-XYJFISCASA-N 0 1 398.297 3.235 20 0 GGADMN C[N@@H+](C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598455947 991936085 /nfs/dbraw/zinc/93/60/85/991936085.db2.gz VLGUACBHPHMZTF-LZLYRXPVSA-N 0 1 398.297 3.235 20 0 GGADMN CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001598460016 991944121 /nfs/dbraw/zinc/94/41/21/991944121.db2.gz DSUAMECNTMEPLJ-OAHLLOKOSA-N 0 1 384.436 3.130 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC001598460456 991949045 /nfs/dbraw/zinc/94/90/45/991949045.db2.gz QPKZQBDCADBWBY-MRXNPFEDSA-N 0 1 392.496 3.343 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170800 991957026 /nfs/dbraw/zinc/95/70/26/991957026.db2.gz QZZCOEHLWYYLOD-NHCUHLMSSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170800 991957037 /nfs/dbraw/zinc/95/70/37/991957037.db2.gz QZZCOEHLWYYLOD-NHCUHLMSSA-N 0 1 380.488 3.250 20 0 GGADMN C[N@@H+](C[C@H]1CN(c2ccccc2)CCO1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598467707 991977450 /nfs/dbraw/zinc/97/74/50/991977450.db2.gz OQAPQGYGBHFAJJ-KXBFYZLASA-N 0 1 394.393 3.067 20 0 GGADMN CC(C)C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178925 991979002 /nfs/dbraw/zinc/97/90/02/991979002.db2.gz YJLAUZCHIBJTDC-NVXWUHKLSA-N 0 1 381.904 3.085 20 0 GGADMN CC(C)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178926 991979250 /nfs/dbraw/zinc/97/92/50/991979250.db2.gz YJLAUZCHIBJTDC-RDJZCZTQSA-N 0 1 381.904 3.085 20 0 GGADMN C[N@@H+](CCC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1)C1CCCCC1 ZINC001598468514 991988368 /nfs/dbraw/zinc/98/83/68/991988368.db2.gz FURNWMUZSYGWIC-UHFFFAOYSA-N 0 1 393.553 3.277 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccnc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598469388 992000357 /nfs/dbraw/zinc/00/03/57/992000357.db2.gz FJBCGHRJCNXFEH-MRXNPFEDSA-N 0 1 382.247 3.475 20 0 GGADMN CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001591197440 992018882 /nfs/dbraw/zinc/01/88/82/992018882.db2.gz HCBYFXBJUIFKSY-HXUWFJFHSA-N 0 1 394.537 3.137 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001591210968 992048550 /nfs/dbraw/zinc/04/85/50/992048550.db2.gz JQIODZXKIVBRLQ-IBGZPJMESA-N 0 1 382.508 3.344 20 0 GGADMN C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(C(=O)[O-])cn1 ZINC001598472494 992049254 /nfs/dbraw/zinc/04/92/54/992049254.db2.gz SFFFFKVYRHADFT-UHFFFAOYSA-N 0 1 377.485 3.249 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])n1)C(=O)OC(C)(C)C ZINC001598472463 992049488 /nfs/dbraw/zinc/04/94/88/992049488.db2.gz RBFGSIRIQHCANS-MRXNPFEDSA-N 0 1 377.485 3.391 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001598474068 992062204 /nfs/dbraw/zinc/06/22/04/992062204.db2.gz LOVORJRQTLEYOE-ZJSXRUAMSA-N 0 1 394.515 3.400 20 0 GGADMN CC(C)CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591221782 992089581 /nfs/dbraw/zinc/08/95/81/992089581.db2.gz OOHYAODHKNNZDF-SJLPKXTDSA-N 0 1 395.931 3.475 20 0 GGADMN CC(C)CC[C@@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001591221979 992090392 /nfs/dbraw/zinc/09/03/92/992090392.db2.gz PWQNVQOLAYMVKY-IXDOHACOSA-N 0 1 384.314 3.346 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC001598476914 992093733 /nfs/dbraw/zinc/09/37/33/992093733.db2.gz BBAFIVAMBMTMFN-UHFFFAOYSA-N 0 1 388.468 3.030 20 0 GGADMN C[N@H+](CCCNC(=O)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598477850 992103410 /nfs/dbraw/zinc/10/34/10/992103410.db2.gz BCTKYQQTLPRTMX-NSHDSACASA-N 0 1 387.185 3.120 20 0 GGADMN C[N@@H+](CCCNC(=O)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598477850 992103413 /nfs/dbraw/zinc/10/34/13/992103413.db2.gz BCTKYQQTLPRTMX-NSHDSACASA-N 0 1 387.185 3.120 20 0 GGADMN C[N@@H+](CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC001598480109 992135350 /nfs/dbraw/zinc/13/53/50/992135350.db2.gz DYLRMJPGTMEURP-NHCUHLMSSA-N 0 1 395.503 3.018 20 0 GGADMN Cn1cc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)cc1C(=O)[O-] ZINC001598483465 992184787 /nfs/dbraw/zinc/18/47/87/992184787.db2.gz YTESYEBPKRVQIF-UHFFFAOYSA-N 0 1 384.455 3.328 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC001599769365 992224025 /nfs/dbraw/zinc/22/40/25/992224025.db2.gz DAASLBBNMVZZDE-CYBMUJFWSA-N 0 1 394.301 3.374 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(Cl)c2Cl)cc1 ZINC001599769589 992226721 /nfs/dbraw/zinc/22/67/21/992226721.db2.gz LUAABZVIIXSGMG-HNNXBMFYSA-N 0 1 388.272 3.312 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC001599770202 992235111 /nfs/dbraw/zinc/23/51/11/992235111.db2.gz YSBLGXAEZKYIOP-UHFFFAOYSA-N 0 1 385.441 3.338 20 0 GGADMN C[N@@H+](CCN1CCOC(C)(C)C1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598488465 992245260 /nfs/dbraw/zinc/24/52/60/992245260.db2.gz BURJXKPXSKQJLD-HNNXBMFYSA-N 0 1 375.296 3.162 20 0 GGADMN C[N@@H+](CCN1CCOC(C)(C)C1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598488467 992245536 /nfs/dbraw/zinc/24/55/36/992245536.db2.gz BURJXKPXSKQJLD-OAHLLOKOSA-N 0 1 375.296 3.162 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC001598491464 992298993 /nfs/dbraw/zinc/29/89/93/992298993.db2.gz YANOLOQKKUMPIF-UHFFFAOYSA-N 0 1 379.819 3.431 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001591331838 992308846 /nfs/dbraw/zinc/30/88/46/992308846.db2.gz XINSJAFVHPFQHC-UHFFFAOYSA-N 0 1 375.296 3.385 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598492969 992328380 /nfs/dbraw/zinc/32/83/80/992328380.db2.gz VGGQSDBLAOQHEM-ZDUSSCGKSA-N 0 1 376.375 3.288 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)CC(C)(C)C(=O)[O-] ZINC001591344374 992331615 /nfs/dbraw/zinc/33/16/15/992331615.db2.gz ZLXWQAQXEFKLFX-UHFFFAOYSA-N 0 1 377.453 3.252 20 0 GGADMN C[S@@](=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)cc1 ZINC001599779158 992343836 /nfs/dbraw/zinc/34/38/36/992343836.db2.gz UQWOUTAXPFSVAY-HSZRJFAPSA-N 0 1 396.306 3.273 20 0 GGADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C1 ZINC001591366882 992382904 /nfs/dbraw/zinc/38/29/04/992382904.db2.gz FHUZOWUFLUXCKM-CQSZACIVSA-N 0 1 391.493 3.078 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC001598498563 992396691 /nfs/dbraw/zinc/39/66/91/992396691.db2.gz AHXGICUMGQFKON-UHFFFAOYSA-N 0 1 394.821 3.376 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC001598498598 992398406 /nfs/dbraw/zinc/39/84/06/992398406.db2.gz CTZJADHBGXETKH-AWNIVKPZSA-N 0 1 394.471 3.187 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001598498670 992398834 /nfs/dbraw/zinc/39/88/34/992398834.db2.gz GVRSESRTOJEWFA-RGFVMQALSA-N 0 1 396.443 3.120 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001598498669 992399500 /nfs/dbraw/zinc/39/95/00/992399500.db2.gz GVRSESRTOJEWFA-JTPHSUOKSA-N 0 1 396.443 3.120 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)CCc1nccc(C(F)(F)F)n1 ZINC001598498780 992400030 /nfs/dbraw/zinc/40/00/30/992400030.db2.gz OCYHXSGKOGJLHO-QPJJXVBHSA-N 0 1 395.381 3.147 20 0 GGADMN CC(C)CNC(=O)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001591369682 992401195 /nfs/dbraw/zinc/40/11/95/992401195.db2.gz 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C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598500732 992433329 /nfs/dbraw/zinc/43/33/29/992433329.db2.gz VLUUXQJAZLJUJO-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001598501884 992446490 /nfs/dbraw/zinc/44/64/90/992446490.db2.gz OZFIUSZZOCZRTL-SFHVURJKSA-N 0 1 378.476 3.010 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001598503086 992461419 /nfs/dbraw/zinc/46/14/19/992461419.db2.gz CCKLCJATRODASS-GOSISDBHSA-N 0 1 382.464 3.298 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001598503227 992463484 /nfs/dbraw/zinc/46/34/84/992463484.db2.gz HOCLUTFQLGEKMN-LJQANCHMSA-N 0 1 396.491 3.227 20 0 GGADMN C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)[O-])CC1)C1CCCC1 ZINC001598503365 992466054 /nfs/dbraw/zinc/46/60/54/992466054.db2.gz BDTPZDPPMWFKIX-UHFFFAOYSA-N 0 1 391.560 3.042 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 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20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593117428 993814539 /nfs/dbraw/zinc/81/45/39/993814539.db2.gz LZUCLFVSKKHFIQ-HIFRSBDPSA-N 0 1 377.460 3.227 20 0 GGADMN C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593122956 993841347 /nfs/dbraw/zinc/84/13/47/993841347.db2.gz HGVPFHXVASGGRH-HNNXBMFYSA-N 0 1 398.463 3.418 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC001593131773 993884600 /nfs/dbraw/zinc/88/46/00/993884600.db2.gz RQHJROQMOOQFQW-MAUKXSAKSA-N 0 1 392.496 3.418 20 0 GGADMN CN1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618511 993943764 /nfs/dbraw/zinc/94/37/64/993943764.db2.gz JRDALBUHQNOMPV-VZOQVYJPSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618511 993943772 /nfs/dbraw/zinc/94/37/72/993943772.db2.gz JRDALBUHQNOMPV-VZOQVYJPSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618511 993943781 /nfs/dbraw/zinc/94/37/81/993943781.db2.gz JRDALBUHQNOMPV-VZOQVYJPSA-N 0 1 380.488 3.022 20 0 GGADMN CN1CCN(c2ccc(CC[NH2+]Cc3ccc(C(=O)[O-])c(Cl)c3)cc2)CC1 ZINC001598622316 994022346 /nfs/dbraw/zinc/02/23/46/994022346.db2.gz BVZBDUQQSKLNSQ-UHFFFAOYSA-N 0 1 387.911 3.122 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CCC(C)(C)C(=O)[O-])CC1 ZINC001598622683 994031189 /nfs/dbraw/zinc/03/11/89/994031189.db2.gz WDUDSLVUJKMHBE-UHFFFAOYSA-N 0 1 387.446 3.048 20 0 GGADMN C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593175098 994042409 /nfs/dbraw/zinc/04/24/09/994042409.db2.gz CCYIFJANIVDGSY-JXFKEZNVSA-N 0 1 396.487 3.450 20 0 GGADMN COc1ccc([C@@H]2C[N@@H+](C/C=C(\C)C(=O)[O-])C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001599620190 994070528 /nfs/dbraw/zinc/07/05/28/994070528.db2.gz IILHYKQWSSLRNW-VCCRENGCSA-N 0 1 390.480 3.019 20 0 GGADMN COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(Cc3ccccc3C(=O)[O-])CC1)C2 ZINC001599624492 994129049 /nfs/dbraw/zinc/12/90/49/994129049.db2.gz GXBAZZBOTADHNF-UHFFFAOYSA-N 0 1 394.471 3.261 20 0 GGADMN C[N@H+]1C[C@@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@H](c2ccccc2)C1 ZINC001598628669 994138856 /nfs/dbraw/zinc/13/88/56/994138856.db2.gz NSJJTRQHXBKCKE-HIFRSBDPSA-N 0 1 389.402 3.130 20 0 GGADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593194730 994140442 /nfs/dbraw/zinc/14/04/42/994140442.db2.gz MFDAGBHAMWEMGE-SJCJKPOMSA-N 0 1 396.896 3.067 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](N[C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598630355 994164544 /nfs/dbraw/zinc/16/45/44/994164544.db2.gz FNVUCIYIRQPKOP-IAGOWNOFSA-N 0 1 375.266 3.351 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](N[C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598630355 994164547 /nfs/dbraw/zinc/16/45/47/994164547.db2.gz FNVUCIYIRQPKOP-IAGOWNOFSA-N 0 1 375.266 3.351 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](N[C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598630357 994164868 /nfs/dbraw/zinc/16/48/68/994164868.db2.gz FNVUCIYIRQPKOP-SJORKVTESA-N 0 1 375.266 3.351 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](N[C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598630357 994164873 /nfs/dbraw/zinc/16/48/73/994164873.db2.gz FNVUCIYIRQPKOP-SJORKVTESA-N 0 1 375.266 3.351 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598630519 994166908 /nfs/dbraw/zinc/16/69/08/994166908.db2.gz OUCWULOVTDBZEI-MOPGFXCFSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598630519 994166913 /nfs/dbraw/zinc/16/69/13/994166913.db2.gz OUCWULOVTDBZEI-MOPGFXCFSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598630522 994167075 /nfs/dbraw/zinc/16/70/75/994167075.db2.gz OUCWULOVTDBZEI-RTBURBONSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598630522 994167080 /nfs/dbraw/zinc/16/70/80/994167080.db2.gz OUCWULOVTDBZEI-RTBURBONSA-N 0 1 381.476 3.324 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)N1CCc2sccc2C1 ZINC001593208187 994221779 /nfs/dbraw/zinc/22/17/79/994221779.db2.gz GUHBVXSTRJPQED-SUMWQHHRSA-N 0 1 398.484 3.053 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001593208253 994222953 /nfs/dbraw/zinc/22/29/53/994222953.db2.gz HFOASNQUDCGXGW-SDBXPKJASA-N 0 1 388.276 3.062 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC001593210777 994253993 /nfs/dbraw/zinc/25/39/93/994253993.db2.gz SIMCKSOMHZWKIA-QPUJVOFHSA-N 0 1 388.276 3.062 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC001593210776 994254079 /nfs/dbraw/zinc/25/40/79/994254079.db2.gz SIMCKSOMHZWKIA-PRHODGIISA-N 0 1 388.276 3.062 20 0 GGADMN COc1ccc2c(c1)[nH+]c(NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)n2Cc1ccccc1 ZINC001599634008 994259515 /nfs/dbraw/zinc/25/95/15/994259515.db2.gz QSQPTLYIKPBORI-YOEHRIQHSA-N 0 1 387.386 3.471 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC001593211429 994265927 /nfs/dbraw/zinc/26/59/27/994265927.db2.gz XDIKZLIHCWYEHY-LIRRHRJNSA-N 0 1 395.484 3.423 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593211507 994267585 /nfs/dbraw/zinc/26/75/85/994267585.db2.gz ZTUJOIUWAFVQQP-FMSQNYNMSA-N 0 1 379.869 3.117 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593211508 994269944 /nfs/dbraw/zinc/26/99/44/994269944.db2.gz ZTUJOIUWAFVQQP-ONENECBXSA-N 0 1 379.869 3.117 20 0 GGADMN C[C@@H](NC1CC[NH+](CCCC(=O)[O-])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001593218157 994282270 /nfs/dbraw/zinc/28/22/70/994282270.db2.gz GEJBECYRKDBIEU-MRXNPFEDSA-N 0 1 389.496 3.013 20 0 GGADMN C[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001593218157 994282279 /nfs/dbraw/zinc/28/22/79/994282279.db2.gz GEJBECYRKDBIEU-MRXNPFEDSA-N 0 1 389.496 3.013 20 0 GGADMN C[C@H](NC1CC[NH+](CCCC(=O)[O-])CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001593220597 994314214 /nfs/dbraw/zinc/31/42/14/994314214.db2.gz UMVVUJBPSAGLEC-KPZWWZAWSA-N 0 1 389.323 3.334 20 0 GGADMN C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC001593220597 994314220 /nfs/dbraw/zinc/31/42/20/994314220.db2.gz UMVVUJBPSAGLEC-KPZWWZAWSA-N 0 1 389.323 3.334 20 0 GGADMN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598640718 994314531 /nfs/dbraw/zinc/31/45/31/994314531.db2.gz OWCUKDGGZVDNBY-QGZVFWFLSA-N 0 1 387.505 3.389 20 0 GGADMN COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3C[C@@H]3CC(C(=O)[O-])=C(C)O3)n2)c1 ZINC001599638353 994322017 /nfs/dbraw/zinc/32/20/17/994322017.db2.gz KAXZPYBODFGSLG-LPHOPBHVSA-N 0 1 383.448 3.370 20 0 GGADMN COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3C[C@@H]3CC(C(=O)[O-])=C(C)O3)n2)c1 ZINC001599638353 994322027 /nfs/dbraw/zinc/32/20/27/994322027.db2.gz KAXZPYBODFGSLG-LPHOPBHVSA-N 0 1 383.448 3.370 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593222545 994334854 /nfs/dbraw/zinc/33/48/54/994334854.db2.gz KVZKSVVMUCGAGD-HUBLWGQQSA-N 0 1 391.468 3.383 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001599640082 994345360 /nfs/dbraw/zinc/34/53/60/994345360.db2.gz GAJZADKWVUNXBB-UHFFFAOYSA-N 0 1 381.432 3.181 20 0 GGADMN C[C@H]([NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ncc(C(=O)[O-])s1 ZINC001593230023 994356538 /nfs/dbraw/zinc/35/65/38/994356538.db2.gz AUNAQNOOLUBNFB-ONGXEEELSA-N 0 1 399.394 3.012 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc(C(=O)[O-])co1 ZINC001593230805 994367463 /nfs/dbraw/zinc/36/74/63/994367463.db2.gz GDPSKIAONCDACQ-ZWNOBZJWSA-N 0 1 382.338 3.453 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC001593236272 994402798 /nfs/dbraw/zinc/40/27/98/994402798.db2.gz BTZPDLYVUWCBCV-NSHDSACASA-N 0 1 388.374 3.419 20 0 GGADMN COc1cccc(C(=O)[O-])c1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001599644580 994406969 /nfs/dbraw/zinc/40/69/69/994406969.db2.gz JVJYFXKXBGXYIY-LLVKDONJSA-N 0 1 381.354 3.192 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)NCc2ccccc2Cl)c1 ZINC001599646752 994435859 /nfs/dbraw/zinc/43/58/59/994435859.db2.gz FUWMMJNJOJQXDX-IBGZPJMESA-N 0 1 390.867 3.113 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCC(=O)NCc2ccccc2Cl)c1 ZINC001599646753 994435900 /nfs/dbraw/zinc/43/59/00/994435900.db2.gz FUWMMJNJOJQXDX-LJQANCHMSA-N 0 1 390.867 3.113 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC001599647183 994441309 /nfs/dbraw/zinc/44/13/09/994441309.db2.gz NMUXICFIXYQXDY-MAUKXSAKSA-N 0 1 376.497 3.037 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)COc1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC001593246739 994456805 /nfs/dbraw/zinc/45/68/05/994456805.db2.gz OJXXLMAHJLVGNZ-YOEHRIQHSA-N 0 1 382.416 3.130 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650783 994495165 /nfs/dbraw/zinc/49/51/65/994495165.db2.gz OAAXGUZWENQIFK-NVXWUHKLSA-N 0 1 378.469 3.152 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001599650825 994496694 /nfs/dbraw/zinc/49/66/94/994496694.db2.gz ORUYZTCRMQTAAL-YJBOKZPZSA-N 0 1 392.496 3.448 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC001599651068 994499708 /nfs/dbraw/zinc/49/97/08/994499708.db2.gz RJNIGAPEIICYFO-IBGZPJMESA-N 0 1 383.400 3.073 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 ZINC001599651455 994509449 /nfs/dbraw/zinc/50/94/49/994509449.db2.gz UOKWGJJLFNOAOW-MRXNPFEDSA-N 0 1 394.349 3.338 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1 ZINC001599651455 994509462 /nfs/dbraw/zinc/50/94/62/994509462.db2.gz UOKWGJJLFNOAOW-MRXNPFEDSA-N 0 1 394.349 3.338 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC001599651623 994511949 /nfs/dbraw/zinc/51/19/49/994511949.db2.gz XJYVQOSUVIKBQB-LPHOPBHVSA-N 0 1 384.480 3.018 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(Cc3ccccc3OCC(=O)[O-])CC2)c1 ZINC001599655435 994571648 /nfs/dbraw/zinc/57/16/48/994571648.db2.gz QXNWTEYWARSPJF-KRWDZBQOSA-N 0 1 384.476 3.037 20 0 GGADMN C[C@H]([NH2+]CCOc1ccc(C(=O)[O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC001593271353 994602875 /nfs/dbraw/zinc/60/28/75/994602875.db2.gz IDKOJUMCLNRIGJ-ZDUSSCGKSA-N 0 1 386.839 3.349 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(C(=O)[O-])cc1Cl)c1cn(-c2ccccc2)nn1 ZINC001593271352 994603272 /nfs/dbraw/zinc/60/32/72/994603272.db2.gz IDKOJUMCLNRIGJ-CYBMUJFWSA-N 0 1 386.839 3.349 20 0 GGADMN C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001593285093 994633962 /nfs/dbraw/zinc/63/39/62/994633962.db2.gz AZQDMPFCJMKRPX-VIFPVBQESA-N 0 1 391.777 3.407 20 0 GGADMN COc1cccc([C@@H](O)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)Cc2ccccc2)c1 ZINC001599659843 994639567 /nfs/dbraw/zinc/63/95/67/994639567.db2.gz OHHWIHFDDLQEHH-NRFANRHFSA-N 0 1 380.444 3.457 20 0 GGADMN C[C@]([NH2+]Cc1cc(=O)n2ccsc2n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593288453 994655961 /nfs/dbraw/zinc/65/59/61/994655961.db2.gz JXWVZHZDPBFLPI-MRXNPFEDSA-N 0 1 398.271 3.152 20 0 GGADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593289365 994661942 /nfs/dbraw/zinc/66/19/42/994661942.db2.gz RBFJOQWOTYTADL-ZDUSSCGKSA-N 0 1 377.485 3.188 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593289364 994662457 /nfs/dbraw/zinc/66/24/57/994662457.db2.gz RBFJOQWOTYTADL-CYBMUJFWSA-N 0 1 377.485 3.188 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccc(Br)cc1OCCCO ZINC001593289583 994665180 /nfs/dbraw/zinc/66/51/80/994665180.db2.gz VAQVQCCJEINSRA-LLVKDONJSA-N 0 1 398.253 3.352 20 0 GGADMN C[C@]([NH2+]Cc1ccc(C(=O)[O-])c2cccnc12)(C(N)=O)c1cccc(Cl)c1 ZINC001593293011 994680931 /nfs/dbraw/zinc/68/09/31/994680931.db2.gz RQAOLPDGQUROIC-HXUWFJFHSA-N 0 1 383.835 3.077 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cc(C(=O)[O-])co1 ZINC001593293900 994687046 /nfs/dbraw/zinc/68/70/46/994687046.db2.gz YTKLWYNWXZXUIA-SECBINFHSA-N 0 1 391.367 3.251 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599664680 994709317 /nfs/dbraw/zinc/70/93/17/994709317.db2.gz CMELJDMZMYHTSB-PXNSSMCTSA-N 0 1 397.475 3.046 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C2CC2)c1 ZINC001599665451 994721824 /nfs/dbraw/zinc/72/18/24/994721824.db2.gz GANJVFUDSXRPLT-VQTJNVASSA-N 0 1 398.434 3.240 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(I)s1)c1ncc(C(=O)[O-])s1 ZINC001593299792 994726284 /nfs/dbraw/zinc/72/62/84/994726284.db2.gz WGCIOPMNJKPZFH-LURJTMIESA-N 0 1 394.259 3.358 20 0 GGADMN COc1cccc([C@H]2CC(=O)N(C[N@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])C2)c1 ZINC001599666824 994743101 /nfs/dbraw/zinc/74/31/01/994743101.db2.gz KQEZUBYINLQRLL-PXNSSMCTSA-N 0 1 396.487 3.192 20 0 GGADMN COc1cccc([C@@H]2CC(=O)N(C[N@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])C2)c1 ZINC001599666823 994743630 /nfs/dbraw/zinc/74/36/30/994743630.db2.gz KQEZUBYINLQRLL-FXAWDEMLSA-N 0 1 396.487 3.192 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599667614 994756408 /nfs/dbraw/zinc/75/64/08/994756408.db2.gz RMTARISVQRNNDV-YLJYHZDGSA-N 0 1 397.475 3.046 20 0 GGADMN COc1cccc(C[NH+]2CCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)c1 ZINC001599673119 994849465 /nfs/dbraw/zinc/84/94/65/994849465.db2.gz PBTLNVILDXHJHB-IBGZPJMESA-N 0 1 392.858 3.431 20 0 GGADMN COc1cccc(COc2ccc(C[N@@H+]3CC[C@@H](OC)C[C@H]3C(=O)[O-])cc2)c1 ZINC001599677201 994916930 /nfs/dbraw/zinc/91/69/30/994916930.db2.gz UDBZQALWZDPDDY-RTWAWAEBSA-N 0 1 385.460 3.338 20 0 GGADMN COc1cccc(COc2ccc(C[N@H+]3CC[C@]4(CC(C(=O)[O-])=NO4)C3)cc2)c1 ZINC001599677333 994919675 /nfs/dbraw/zinc/91/96/75/994919675.db2.gz XKDFCXXDUGCDGA-QFIPXVFZSA-N 0 1 396.443 3.080 20 0 GGADMN COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001599678956 994945776 /nfs/dbraw/zinc/94/57/76/994945776.db2.gz RQEHIACFLLSYOY-CWFSZBLJSA-N 0 1 382.460 3.418 20 0 GGADMN COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001598683391 994967234 /nfs/dbraw/zinc/96/72/34/994967234.db2.gz UGSPVINOXLDMFG-LSDHHAIUSA-N 0 1 398.297 3.138 20 0 GGADMN C[C@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593353626 994983159 /nfs/dbraw/zinc/98/31/59/994983159.db2.gz CCZHBTIMKSQIPQ-FPMFFAJLSA-N 0 1 383.370 3.054 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001598690474 995057207 /nfs/dbraw/zinc/05/72/07/995057207.db2.gz JNGHZKMLZGPHQZ-YSSFQJQWSA-N 0 1 383.444 3.417 20 0 GGADMN COC(=O)[C@H](C)Oc1ccccc1C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001598690481 995057342 /nfs/dbraw/zinc/05/73/42/995057342.db2.gz JRSVICUEALQILC-AWEZNQCLSA-N 0 1 391.851 3.367 20 0 GGADMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441465 995294030 /nfs/dbraw/zinc/29/40/30/995294030.db2.gz GVISLHPUFZGREZ-MNOVXSKESA-N 0 1 384.263 3.080 20 0 GGADMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441463 995294333 /nfs/dbraw/zinc/29/43/33/995294333.db2.gz GVISLHPUFZGREZ-GHMZBOCLSA-N 0 1 384.263 3.080 20 0 GGADMN C[C@H](O)[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441467 995295498 /nfs/dbraw/zinc/29/54/98/995295498.db2.gz GVISLHPUFZGREZ-QWRGUYRKSA-N 0 1 384.263 3.080 20 0 GGADMN COC(=O)[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C(=O)[O-])c1 ZINC001598706924 995298429 /nfs/dbraw/zinc/29/84/29/995298429.db2.gz AJOQZBYEZLJEHD-ZLGUVYLKSA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C(=O)[O-])c1 ZINC001598706923 995298516 /nfs/dbraw/zinc/29/85/16/995298516.db2.gz AJOQZBYEZLJEHD-TYCQWZJGSA-N 0 1 396.487 3.099 20 0 GGADMN C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593450798 995345805 /nfs/dbraw/zinc/34/58/05/995345805.db2.gz LZIMFALPKAJMRA-RDBSUJKOSA-N 0 1 394.537 3.135 20 0 GGADMN C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593450798 995345813 /nfs/dbraw/zinc/34/58/13/995345813.db2.gz LZIMFALPKAJMRA-RDBSUJKOSA-N 0 1 394.537 3.135 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598710962 995348448 /nfs/dbraw/zinc/34/84/48/995348448.db2.gz CPTHOESSHGKQSR-KSZLIROESA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598710962 995348455 /nfs/dbraw/zinc/34/84/55/995348455.db2.gz CPTHOESSHGKQSR-KSZLIROESA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001598712891 995369085 /nfs/dbraw/zinc/36/90/85/995369085.db2.gz NVHPVWLMFGWEIK-IEBWSBKVSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715549 995402243 /nfs/dbraw/zinc/40/22/43/995402243.db2.gz JHCPCTKNKUXHJG-RCCFBDPRSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715549 995402246 /nfs/dbraw/zinc/40/22/46/995402246.db2.gz JHCPCTKNKUXHJG-RCCFBDPRSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717262 995426804 /nfs/dbraw/zinc/42/68/04/995426804.db2.gz GQNGCBSIPNQMJO-SMDDNHRTSA-N 0 1 399.287 3.259 20 0 GGADMN C[C@H](O)c1ncc(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)s1 ZINC001593482624 995433054 /nfs/dbraw/zinc/43/30/54/995433054.db2.gz SMLOTPXONNYYJP-NSHDSACASA-N 0 1 399.310 3.436 20 0 GGADMN C[C@H](O)c1ncc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)s1 ZINC001593482624 995433064 /nfs/dbraw/zinc/43/30/64/995433064.db2.gz SMLOTPXONNYYJP-NSHDSACASA-N 0 1 399.310 3.436 20 0 GGADMN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC001598726692 995526118 /nfs/dbraw/zinc/52/61/18/995526118.db2.gz BZDFNYCWNNYILP-HSZRJFAPSA-N 0 1 397.471 3.084 20 0 GGADMN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC001598726697 995526257 /nfs/dbraw/zinc/52/62/57/995526257.db2.gz BZDFNYCWNNYILP-QHCPKHFHSA-N 0 1 397.471 3.084 20 0 GGADMN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001598727622 995532455 /nfs/dbraw/zinc/53/24/55/995532455.db2.gz XOJIAZBPSBSYRL-HSZRJFAPSA-N 0 1 390.439 3.250 20 0 GGADMN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001598727623 995532472 /nfs/dbraw/zinc/53/24/72/995532472.db2.gz XOJIAZBPSBSYRL-QHCPKHFHSA-N 0 1 390.439 3.250 20 0 GGADMN C[C@@H](OC[C@H](O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001593604211 995775796 /nfs/dbraw/zinc/77/57/96/995775796.db2.gz NFAUIUNWNWZTPI-FZKQIMNGSA-N 0 1 378.856 3.004 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1)C(=O)[O-] ZINC001593614910 995827188 /nfs/dbraw/zinc/82/71/88/995827188.db2.gz DKGWHVAUGXHOHH-NYHFZMIOSA-N 0 1 381.428 3.148 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1)C(=O)[O-] ZINC001593614909 995827491 /nfs/dbraw/zinc/82/74/91/995827491.db2.gz DKGWHVAUGXHOHH-IVZQSRNASA-N 0 1 381.428 3.148 20 0 GGADMN C[C@@H](Oc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1)C(=O)[O-] ZINC001593615407 995832680 /nfs/dbraw/zinc/83/26/80/995832680.db2.gz JCQXKSPLANKYMN-JLGINSKQSA-N 0 1 394.515 3.492 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1)C(=O)[O-] ZINC001593615407 995832705 /nfs/dbraw/zinc/83/27/05/995832705.db2.gz JCQXKSPLANKYMN-JLGINSKQSA-N 0 1 394.515 3.492 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1)C(=O)[O-] ZINC001593615407 995832713 /nfs/dbraw/zinc/83/27/13/995832713.db2.gz JCQXKSPLANKYMN-JLGINSKQSA-N 0 1 394.515 3.492 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1)C(=O)[O-] ZINC001593615485 995833532 /nfs/dbraw/zinc/83/35/32/995833532.db2.gz MBWDSMQHIQRLOP-MTNREXPMSA-N 0 1 383.488 3.497 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615425 995834109 /nfs/dbraw/zinc/83/41/09/995834109.db2.gz JUAUIMBXXHKTJF-WZONZLPQSA-N 0 1 383.488 3.356 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615571 995835915 /nfs/dbraw/zinc/83/59/15/995835915.db2.gz KYEBHAXIPZEJPG-OWCLPIDISA-N 0 1 392.496 3.368 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615571 995835921 /nfs/dbraw/zinc/83/59/21/995835921.db2.gz KYEBHAXIPZEJPG-OWCLPIDISA-N 0 1 392.496 3.368 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593616364 995847551 /nfs/dbraw/zinc/84/75/51/995847551.db2.gz YJKZQIWBXIZWCD-AEFFLSMTSA-N 0 1 382.460 3.023 20 0 GGADMN CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)CC2 ZINC001593626046 995893142 /nfs/dbraw/zinc/89/31/42/995893142.db2.gz FRGGBAJLHXQNGQ-IMJJTQAJSA-N 0 1 393.459 3.157 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1F)C(=O)[O-] ZINC001593632261 995919254 /nfs/dbraw/zinc/91/92/54/995919254.db2.gz SJAAFYNVMUPWKV-AXHNFQJDSA-N 0 1 386.423 3.309 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001593644483 995962362 /nfs/dbraw/zinc/96/23/62/995962362.db2.gz KWHKROQJEZBRKX-GFCCVEGCSA-N 0 1 379.359 3.492 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001593644483 995962364 /nfs/dbraw/zinc/96/23/64/995962364.db2.gz KWHKROQJEZBRKX-GFCCVEGCSA-N 0 1 379.359 3.492 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644487 995962547 /nfs/dbraw/zinc/96/25/47/995962547.db2.gz KXZARTZFPMOJFQ-QFBILLFUSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644487 995962552 /nfs/dbraw/zinc/96/25/52/995962552.db2.gz KXZARTZFPMOJFQ-QFBILLFUSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644481 995962734 /nfs/dbraw/zinc/96/27/34/995962734.db2.gz KWGZNRSHKAPBTM-RDJZCZTQSA-N 0 1 392.496 3.370 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001598779054 995962948 /nfs/dbraw/zinc/96/29/48/995962948.db2.gz QYSIQGRHKKEQBB-UZLBHIALSA-N 0 1 399.443 3.196 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593644779 995966511 /nfs/dbraw/zinc/96/65/11/995966511.db2.gz MXVRMHWOVJUUMY-WBVHZDCISA-N 0 1 392.496 3.370 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644804 995966717 /nfs/dbraw/zinc/96/67/17/995966717.db2.gz NAMUMWRKKSQKOB-GXTWGEPZSA-N 0 1 395.381 3.337 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)C(=O)[O-] ZINC001593645349 995973745 /nfs/dbraw/zinc/97/37/45/995973745.db2.gz JHWJEEPWVZNVTR-KRWDZBQOSA-N 0 1 388.508 3.153 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)C(=O)[O-] ZINC001593645349 995973749 /nfs/dbraw/zinc/97/37/49/995973749.db2.gz JHWJEEPWVZNVTR-KRWDZBQOSA-N 0 1 388.508 3.153 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645439 995974244 /nfs/dbraw/zinc/97/42/44/995974244.db2.gz JZQOISLERSMANF-ZBFHGGJFSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593645439 995974255 /nfs/dbraw/zinc/97/42/55/995974255.db2.gz JZQOISLERSMANF-ZBFHGGJFSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C(=O)[O-] ZINC001593645946 995978777 /nfs/dbraw/zinc/97/87/77/995978777.db2.gz UIDHHWAAOPDDKF-HNAYVOBHSA-N 0 1 382.460 3.464 20 0 GGADMN C[C@@H](Oc1ccccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1)C(=O)[O-] ZINC001593646014 995979495 /nfs/dbraw/zinc/97/94/95/995979495.db2.gz UUQJXKIEMXCOOQ-CQSZACIVSA-N 0 1 391.414 3.300 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646186 995981375 /nfs/dbraw/zinc/98/13/75/995981375.db2.gz PFSHMBGCARTNPK-KRWDZBQOSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@H](Oc1ccccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646186 995981380 /nfs/dbraw/zinc/98/13/80/995981380.db2.gz PFSHMBGCARTNPK-KRWDZBQOSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@H](Oc1ccccc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646186 995981385 /nfs/dbraw/zinc/98/13/85/995981385.db2.gz PFSHMBGCARTNPK-KRWDZBQOSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646187 995981425 /nfs/dbraw/zinc/98/14/25/995981425.db2.gz PFSHMBGCARTNPK-QGZVFWFLSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@@H](Oc1ccccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646187 995981431 /nfs/dbraw/zinc/98/14/31/995981431.db2.gz PFSHMBGCARTNPK-QGZVFWFLSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@@H](Oc1ccccc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001593646187 995981435 /nfs/dbraw/zinc/98/14/35/995981435.db2.gz PFSHMBGCARTNPK-QGZVFWFLSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@H](Oc1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC001593649365 996002528 /nfs/dbraw/zinc/00/25/28/996002528.db2.gz SWCPUGHROIEYSI-BBTUJRGHSA-N 0 1 382.504 3.396 20 0 GGADMN C[C@H](Oc1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC001593649367 996002749 /nfs/dbraw/zinc/00/27/49/996002749.db2.gz SWCPUGHROIEYSI-LVCYWYKZSA-N 0 1 382.504 3.396 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598787967 996046226 /nfs/dbraw/zinc/04/62/26/996046226.db2.gz MQXQZVHUGKYLRS-QIJZBDPFSA-N 0 1 381.419 3.044 20 0 GGADMN COC(=O)[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598787966 996046270 /nfs/dbraw/zinc/04/62/70/996046270.db2.gz MQXQZVHUGKYLRS-NQZOLGFYSA-N 0 1 381.419 3.044 20 0 GGADMN COC(=O)[C@H]1CCCC[C@H]1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598787968 996046300 /nfs/dbraw/zinc/04/63/00/996046300.db2.gz MQXQZVHUGKYLRS-ZFZWDLNGSA-N 0 1 381.419 3.044 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1)C(=O)[O-] ZINC001593669091 996069053 /nfs/dbraw/zinc/06/90/53/996069053.db2.gz OXNNECHUKMUCMU-HUUCEWRRSA-N 0 1 376.522 3.341 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)C(=O)[O-] ZINC001593672856 996080139 /nfs/dbraw/zinc/08/01/39/996080139.db2.gz KPZDFMWEFYIMQG-GDBMZVCRSA-N 0 1 376.522 3.104 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C(=O)[O-] ZINC001593673108 996081539 /nfs/dbraw/zinc/08/15/39/996081539.db2.gz OGPRDIZZBDKIBT-ZBFHGGJFSA-N 0 1 376.522 3.389 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC001598798291 996122836 /nfs/dbraw/zinc/12/28/36/996122836.db2.gz DRRDSYBRMVBMIR-ZWNOBZJWSA-N 0 1 392.304 3.424 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689297 996131984 /nfs/dbraw/zinc/13/19/84/996131984.db2.gz GACLUMPDTDJWKM-NEPJUHHUSA-N 0 1 377.828 3.438 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001593689303 996132104 /nfs/dbraw/zinc/13/21/04/996132104.db2.gz GACLUMPDTDJWKM-VXGBXAGGSA-N 0 1 377.828 3.438 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC001598800010 996132451 /nfs/dbraw/zinc/13/24/51/996132451.db2.gz LXNZWEANIRQZGJ-HSTYYIRMSA-N 0 1 387.476 3.217 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC001598800011 996132489 /nfs/dbraw/zinc/13/24/89/996132489.db2.gz LXNZWEANIRQZGJ-KIWZCUEISA-N 0 1 387.476 3.217 20 0 GGADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001593690134 996135086 /nfs/dbraw/zinc/13/50/86/996135086.db2.gz NZDLGVVNZZJEAE-QWRGUYRKSA-N 0 1 380.242 3.471 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001593690132 996135180 /nfs/dbraw/zinc/13/51/80/996135180.db2.gz NZDLGVVNZZJEAE-GHMZBOCLSA-N 0 1 380.242 3.471 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001593692501 996139891 /nfs/dbraw/zinc/13/98/91/996139891.db2.gz CCDPIJCREAFCIE-XFKAJCMBSA-N 0 1 378.900 3.435 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001598801341 996140308 /nfs/dbraw/zinc/14/03/08/996140308.db2.gz BGMWQZBUDFQWCQ-MAUKXSAKSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC001593692932 996141893 /nfs/dbraw/zinc/14/18/93/996141893.db2.gz GXGBBYWAZFEUMX-OAHLLOKOSA-N 0 1 390.430 3.461 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001593693077 996142400 /nfs/dbraw/zinc/14/24/00/996142400.db2.gz JFRFWNQWSYJGRK-GRGSLBFTSA-N 0 1 376.472 3.310 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001598802201 996148511 /nfs/dbraw/zinc/14/85/11/996148511.db2.gz FRDWGXJLTMVESG-HNAYVOBHSA-N 0 1 383.444 3.347 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC001598802200 996148594 /nfs/dbraw/zinc/14/85/94/996148594.db2.gz FRDWGXJLTMVESG-DNVCBOLYSA-N 0 1 383.444 3.347 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC001593697403 996156446 /nfs/dbraw/zinc/15/64/46/996156446.db2.gz JZBIZADYKYIEJO-DOVSJBTNSA-N 0 1 396.462 3.288 20 0 GGADMN C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593697783 996157618 /nfs/dbraw/zinc/15/76/18/996157618.db2.gz OSKPYNQYGWZIEQ-IUODEOHRSA-N 0 1 396.434 3.279 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593697785 996157927 /nfs/dbraw/zinc/15/79/27/996157927.db2.gz OSKPYNQYGWZIEQ-WFASDCNBSA-N 0 1 396.434 3.279 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC001593697854 996158388 /nfs/dbraw/zinc/15/83/88/996158388.db2.gz RCRLUBHVZLNYTG-QGPMSJSTSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC001593697853 996158607 /nfs/dbraw/zinc/15/86/07/996158607.db2.gz RCRLUBHVZLNYTG-KYJSFNMBSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001593698465 996164567 /nfs/dbraw/zinc/16/45/67/996164567.db2.gz YEXVVEZTMKJCBZ-AYBZRNKSSA-N 0 1 394.537 3.110 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC001598804140 996167925 /nfs/dbraw/zinc/16/79/25/996167925.db2.gz QOKBSCDVXWVUFK-YPMHNXCESA-N 0 1 377.384 3.137 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC001598804138 996168086 /nfs/dbraw/zinc/16/80/86/996168086.db2.gz QOKBSCDVXWVUFK-DGCLKSJQSA-N 0 1 377.384 3.137 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001593703207 996179280 /nfs/dbraw/zinc/17/92/80/996179280.db2.gz LOXKPUNOAGWSHQ-BVZALQNUSA-N 0 1 394.471 3.423 20 0 GGADMN C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(N)=O ZINC001593706510 996197452 /nfs/dbraw/zinc/19/74/52/996197452.db2.gz NMNIUBCTMRTIDC-SCLBCKFNSA-N 0 1 395.484 3.256 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711071 996211413 /nfs/dbraw/zinc/21/14/13/996211413.db2.gz PLVUIYFTUBEVTC-YJBOKZPZSA-N 0 1 383.448 3.107 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711703 996213341 /nfs/dbraw/zinc/21/33/41/996213341.db2.gz WWYPOCAUSHLQGE-QFBILLFUSA-N 0 1 397.475 3.497 20 0 GGADMN C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593714261 996229646 /nfs/dbraw/zinc/22/96/46/996229646.db2.gz WBEMKUHFAKZEMT-AWEZNQCLSA-N 0 1 393.447 3.172 20 0 GGADMN C[C@H](c1cccs1)[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001593723272 996256566 /nfs/dbraw/zinc/25/65/66/996256566.db2.gz PPTVGVAPUCOROE-FZKQIMNGSA-N 0 1 385.489 3.476 20 0 GGADMN C[C@@H](c1cccs1)[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001593723273 996256753 /nfs/dbraw/zinc/25/67/53/996256753.db2.gz PPTVGVAPUCOROE-SCLBCKFNSA-N 0 1 385.489 3.476 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001593725174 996274365 /nfs/dbraw/zinc/27/43/65/996274365.db2.gz NIGGQFQOAGBCOD-ZDUSSCGKSA-N 0 1 379.457 3.157 20 0 GGADMN C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725250 996275378 /nfs/dbraw/zinc/27/53/78/996275378.db2.gz TUJJPCBYPWDXAE-KBPBESRZSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725250 996275382 /nfs/dbraw/zinc/27/53/82/996275382.db2.gz TUJJPCBYPWDXAE-KBPBESRZSA-N 0 1 383.477 3.363 20 0 GGADMN 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GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C)C[C@H]1CC=CCC1 ZINC001598913850 997418922 /nfs/dbraw/zinc/41/89/22/997418922.db2.gz DMOLGNTUSVRHLR-ZDUSSCGKSA-N 0 1 394.493 3.158 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CC=CC12CCCCC2 ZINC001598915235 997449096 /nfs/dbraw/zinc/44/90/96/997449096.db2.gz AZBPTYNEJBCOGK-UHFFFAOYSA-N 0 1 392.477 3.055 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CC=CC12CCCCC2 ZINC001598915235 997449100 /nfs/dbraw/zinc/44/91/00/997449100.db2.gz AZBPTYNEJBCOGK-UHFFFAOYSA-N 0 1 392.477 3.055 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001598915207 997449300 /nfs/dbraw/zinc/44/93/00/997449300.db2.gz ABOWXZGCXAZXHQ-ZDUSSCGKSA-N 0 1 394.493 3.134 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC001594010763 997449272 /nfs/dbraw/zinc/44/92/72/997449272.db2.gz SVKFZLHKUSERGI-FQEVSTJZSA-N 0 1 398.450 3.499 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@@H]1CCC(C)C ZINC001598915458 997454875 /nfs/dbraw/zinc/45/48/75/997454875.db2.gz JRGGQRHJKRQLGA-CYBMUJFWSA-N 0 1 396.509 3.380 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@]1(C)CC(C)C ZINC001598915489 997456719 /nfs/dbraw/zinc/45/67/19/997456719.db2.gz KDZKEKAHSCFLQL-LJQANCHMSA-N 0 1 396.509 3.380 20 0 GGADMN COc1cc(CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599413851 997470508 /nfs/dbraw/zinc/47/05/08/997470508.db2.gz QOKNPVUOKAXVQK-CRAIPNDOSA-N 0 1 397.475 3.028 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001594013741 997482983 /nfs/dbraw/zinc/48/29/83/997482983.db2.gz UTRVQUXRCXWNFO-SJORKVTESA-N 0 1 394.434 3.363 20 0 GGADMN C[C@]1(CNC(=O)CCc2ccccc2C(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594015203 997489814 /nfs/dbraw/zinc/48/98/14/997489814.db2.gz DTHUZDJHTJLIBA-HSZRJFAPSA-N 0 1 380.488 3.346 20 0 GGADMN COc1ccc([C@H](N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C(=O)[O-])c(OC)c1 ZINC001599527678 997590602 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/nfs/dbraw/zinc/61/73/36/997617336.db2.gz SHAPSGNJWBZZRI-GOSISDBHSA-N 0 1 398.290 3.472 20 0 GGADMN COc1ccc([C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[O-])cc1O ZINC001599532811 997688588 /nfs/dbraw/zinc/68/85/88/997688588.db2.gz SVUYEOKOJYHSET-NRFANRHFSA-N 0 1 384.476 3.302 20 0 GGADMN COCCC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])Cc1ccncc1 ZINC001599223368 997711920 /nfs/dbraw/zinc/71/19/20/997711920.db2.gz JXQXVUQTVJAXNX-UHFFFAOYSA-N 0 1 385.439 3.449 20 0 GGADMN COC(=O)c1cc(C[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598929274 997712423 /nfs/dbraw/zinc/71/24/23/997712423.db2.gz FRKCHUVXJVWNMQ-IBGZPJMESA-N 0 1 387.407 3.009 20 0 GGADMN COC(=O)c1cc(C[N@H+](C)Cc2ccc(Br)o2)cc(C(=O)[O-])c1 ZINC001598929300 997712628 /nfs/dbraw/zinc/71/26/28/997712628.db2.gz GVMXEYPEEQBLMY-UHFFFAOYSA-N 0 1 382.210 3.159 20 0 GGADMN COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Br)o2)cc(C(=O)[O-])c1 ZINC001598929300 997712637 /nfs/dbraw/zinc/71/26/37/997712637.db2.gz GVMXEYPEEQBLMY-UHFFFAOYSA-N 0 1 382.210 3.159 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599535190 997730790 /nfs/dbraw/zinc/73/07/90/997730790.db2.gz GHOXRTJBLAILTR-KBXCAEBGSA-N 0 1 396.443 3.362 20 0 GGADMN COC(=O)c1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc(C(=O)[O-])c1 ZINC001598930125 997733225 /nfs/dbraw/zinc/73/32/25/997733225.db2.gz WOGIFJSEFNDYIF-HXUWFJFHSA-N 0 1 383.444 3.043 20 0 GGADMN CC1(N2CCOCC2)CC[NH+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001594049823 997737730 /nfs/dbraw/zinc/73/77/30/997737730.db2.gz YEMIEGMSIKNAIF-UHFFFAOYSA-N 0 1 386.414 3.090 20 0 GGADMN C[C@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCC[C@H]1C(=O)[O-] ZINC001594051760 997747943 /nfs/dbraw/zinc/74/79/43/997747943.db2.gz KVOIMXBRRAHCFB-QKLQHJQFSA-N 0 1 394.462 3.294 20 0 GGADMN COc1c(C)[nH]cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1=O ZINC001599331878 997762154 /nfs/dbraw/zinc/76/21/54/997762154.db2.gz WQQXJFLNYKUXMT-CQSZACIVSA-N 0 1 385.247 3.256 20 0 GGADMN COc1c(C)[nH]cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1=O ZINC001599331878 997762170 /nfs/dbraw/zinc/76/21/70/997762170.db2.gz WQQXJFLNYKUXMT-CQSZACIVSA-N 0 1 385.247 3.256 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598931404 997764430 /nfs/dbraw/zinc/76/44/30/997764430.db2.gz LQPZKHZGWWJYNP-NRFANRHFSA-N 0 1 397.471 3.395 20 0 GGADMN COc1ccc(C2=NO[C@@H](C[NH2+][C@@H](C)c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599537314 997767173 /nfs/dbraw/zinc/76/71/73/997767173.db2.gz NTSNKDGUOWUMDG-WCQYABFASA-N 0 1 375.450 3.002 20 0 GGADMN C[C@@]1(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001594053224 997767841 /nfs/dbraw/zinc/76/78/41/997767841.db2.gz QWTQFXSEYJGBTP-LJQANCHMSA-N 0 1 388.855 3.219 20 0 GGADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3cncc(C(=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC001599537482 997769522 /nfs/dbraw/zinc/76/95/22/997769522.db2.gz NYAQDBNECOUGAV-DNVCBOLYSA-N 0 1 384.432 3.028 20 0 GGADMN COc1ccc([C@H]2[C@@H](COC(=O)c3cncc(C(=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC001599537481 997769979 /nfs/dbraw/zinc/76/99/79/997769979.db2.gz NYAQDBNECOUGAV-BEFAXECRSA-N 0 1 384.432 3.028 20 0 GGADMN C[C@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCC[C@H]1C(=O)[O-] ZINC001594053431 997770939 /nfs/dbraw/zinc/77/09/39/997770939.db2.gz VBEZCRKRLABLNI-JQVVWYNYSA-N 0 1 384.520 3.438 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cc(C(=O)[O-])c1 ZINC001598931793 997772667 /nfs/dbraw/zinc/77/26/67/997772667.db2.gz ACGZWLFLCGNSGZ-VVHHDAOASA-N 0 1 389.492 3.323 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cc(C(=O)[O-])c1 ZINC001598931840 997774399 /nfs/dbraw/zinc/77/43/99/997774399.db2.gz BBKIOGIMXHVUOY-HNNXBMFYSA-N 0 1 385.464 3.398 20 0 GGADMN COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc(C(=O)[O-])c1 ZINC001598931840 997774408 /nfs/dbraw/zinc/77/44/08/997774408.db2.gz BBKIOGIMXHVUOY-HNNXBMFYSA-N 0 1 385.464 3.398 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc(C(=O)[O-])c1 ZINC001598931840 997774415 /nfs/dbraw/zinc/77/44/15/997774415.db2.gz BBKIOGIMXHVUOY-HNNXBMFYSA-N 0 1 385.464 3.398 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932206 997783579 /nfs/dbraw/zinc/78/35/79/997783579.db2.gz GNMGWBNIXFYALS-DLBZAZTESA-N 0 1 389.473 3.321 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598932421 997789119 /nfs/dbraw/zinc/78/91/19/997789119.db2.gz VDUCJWNQYWQMMT-KRWDZBQOSA-N 0 1 383.444 3.210 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)[nH]c1C(C)C ZINC001598932445 997791327 /nfs/dbraw/zinc/79/13/27/997791327.db2.gz VKXDVCAEKNFPDL-NSHDSACASA-N 0 1 377.466 3.069 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001599539074 997799793 /nfs/dbraw/zinc/79/97/93/997799793.db2.gz MUMZHNMVAGRPOA-VDGAXYAQSA-N 0 1 388.508 3.324 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001599539074 997799807 /nfs/dbraw/zinc/79/98/07/997799807.db2.gz MUMZHNMVAGRPOA-VDGAXYAQSA-N 0 1 388.508 3.324 20 0 GGADMN CC(C)(C)OC(=O)NC1(C)CC[NH+](Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC001594056547 997800939 /nfs/dbraw/zinc/80/09/39/997800939.db2.gz CLXPCFVJHQEIFV-UHFFFAOYSA-N 0 1 388.468 3.071 20 0 GGADMN C[C@]1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001594057044 997806297 /nfs/dbraw/zinc/80/62/97/997806297.db2.gz HCQYMFFTBNYIFJ-FQEVSTJZSA-N 0 1 389.402 3.449 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)cc(C(=O)[O-])c1 ZINC001598933136 997806871 /nfs/dbraw/zinc/80/68/71/997806871.db2.gz QYOWYSGBJYAYOH-QGZVFWFLSA-N 0 1 396.487 3.499 20 0 GGADMN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c(OC)c1 ZINC001599539402 997808207 /nfs/dbraw/zinc/80/82/07/997808207.db2.gz IQBBBBSPHONEIY-IBGZPJMESA-N 0 1 398.459 3.202 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c(OC)c1 ZINC001599539402 997808222 /nfs/dbraw/zinc/80/82/22/997808222.db2.gz IQBBBBSPHONEIY-IBGZPJMESA-N 0 1 398.459 3.202 20 0 GGADMN COCCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC001599229197 997815814 /nfs/dbraw/zinc/81/58/14/997815814.db2.gz FRSZUTXMQRYPMJ-QGZVFWFLSA-N 0 1 378.513 3.147 20 0 GGADMN COCCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C ZINC001599229194 997815987 /nfs/dbraw/zinc/81/59/87/997815987.db2.gz FRSZUTXMQRYPMJ-KRWDZBQOSA-N 0 1 378.513 3.147 20 0 GGADMN COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001599230813 997848459 /nfs/dbraw/zinc/84/84/59/997848459.db2.gz IFIFLMGPMIOLGX-UHFFFAOYSA-N 0 1 391.556 3.093 20 0 GGADMN COc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599437103 997867192 /nfs/dbraw/zinc/86/71/92/997867192.db2.gz KKWQJCRMNLQFJO-NVXWUHKLSA-N 0 1 397.475 3.426 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)ccc1C(=O)[O-] ZINC001599437772 997878032 /nfs/dbraw/zinc/87/80/32/997878032.db2.gz LHBRVQFCSWQOCH-MRXNPFEDSA-N 0 1 391.855 3.471 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001598936822 997884276 /nfs/dbraw/zinc/88/42/76/997884276.db2.gz WMVOYWZPROZCCN-GFCCVEGCSA-N 0 1 378.425 3.147 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001598936822 997884285 /nfs/dbraw/zinc/88/42/85/997884285.db2.gz WMVOYWZPROZCCN-GFCCVEGCSA-N 0 1 378.425 3.147 20 0 GGADMN COc1c(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cccc1C(=O)[O-] ZINC001599338999 997889605 /nfs/dbraw/zinc/88/96/05/997889605.db2.gz DXHCLHGESSQNQI-UHFFFAOYSA-N 0 1 384.436 3.019 20 0 GGADMN COc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1C(=O)[O-] ZINC001599339292 997894893 /nfs/dbraw/zinc/89/48/93/997894893.db2.gz HMIHUBNZUQRSCT-OAHLLOKOSA-N 0 1 383.448 3.132 20 0 GGADMN COc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1C(=O)[O-] ZINC001599339292 997894899 /nfs/dbraw/zinc/89/48/99/997894899.db2.gz HMIHUBNZUQRSCT-OAHLLOKOSA-N 0 1 383.448 3.132 20 0 GGADMN COc1cc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C(=O)[O-] ZINC001599439090 997901645 /nfs/dbraw/zinc/90/16/45/997901645.db2.gz BOPHEZFVITVSHH-GASCZTMLSA-N 0 1 377.485 3.273 20 0 GGADMN COc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599439123 997902525 /nfs/dbraw/zinc/90/25/25/997902525.db2.gz ZVGLBIXXFCCJFS-QGZVFWFLSA-N 0 1 383.448 3.180 20 0 GGADMN COCC[N@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccc(C)c(C)c1 ZINC001599233522 997904908 /nfs/dbraw/zinc/90/49/08/997904908.db2.gz PMCWIBPOHLKVFI-UHFFFAOYSA-N 0 1 384.476 3.397 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccc(C)c(C)c1 ZINC001599233522 997904923 /nfs/dbraw/zinc/90/49/23/997904923.db2.gz PMCWIBPOHLKVFI-UHFFFAOYSA-N 0 1 384.476 3.397 20 0 GGADMN COc1c(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340223 997909531 /nfs/dbraw/zinc/90/95/31/997909531.db2.gz HKDJYHGESDJVNW-OAQYLSRUSA-N 0 1 383.448 3.180 20 0 GGADMN COc1c(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340651 997916612 /nfs/dbraw/zinc/91/66/12/997916612.db2.gz JTAUDNQWCRDJTH-JOCHJYFZSA-N 0 1 397.475 3.427 20 0 GGADMN COc1c(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341181 997924463 /nfs/dbraw/zinc/92/44/63/997924463.db2.gz PYIDWRWIUYJPON-HOCLYGCPSA-N 0 1 383.448 3.178 20 0 GGADMN COc1c(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341162 997924511 /nfs/dbraw/zinc/92/45/11/997924511.db2.gz PYIDWRWIUYJPON-GDBMZVCRSA-N 0 1 383.448 3.178 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@]2(C)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598938930 997925094 /nfs/dbraw/zinc/92/50/94/997925094.db2.gz GRRRVBRIAGNYPF-QFIPXVFZSA-N 0 1 396.443 3.121 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)cc(C(=O)[O-])c1 ZINC001598939013 997927264 /nfs/dbraw/zinc/92/72/64/997927264.db2.gz JYZUEIARHJGFKH-IBGZPJMESA-N 0 1 396.443 3.255 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C3CCCCC3)C2)cc(C(=O)[O-])c1 ZINC001598939576 997939207 /nfs/dbraw/zinc/93/92/07/997939207.db2.gz ARLNZKQZFVXFFI-HNNXBMFYSA-N 0 1 388.464 3.012 20 0 GGADMN CO[C@@H]1C[N@@H+](CCCCOc2ccc(Br)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599130829 997940274 /nfs/dbraw/zinc/94/02/74/997940274.db2.gz AFRLSGBGLHESLO-DOTOQJQBSA-N 0 1 386.286 3.172 20 0 GGADMN CO[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@](C)(C(=O)[O-])C1 ZINC001599131212 997949474 /nfs/dbraw/zinc/94/94/74/997949474.db2.gz CIHHAPCDGFMKFT-PXNSSMCTSA-N 0 1 391.899 3.266 20 0 GGADMN CO[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@](C)(C(=O)[O-])C1 ZINC001599131322 997950295 /nfs/dbraw/zinc/95/02/95/997950295.db2.gz COJLIQRCVIONAV-PBHICJAKSA-N 0 1 379.254 3.061 20 0 GGADMN CO[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@](C)(C(=O)[O-])C1 ZINC001599131322 997950307 /nfs/dbraw/zinc/95/03/07/997950307.db2.gz COJLIQRCVIONAV-PBHICJAKSA-N 0 1 379.254 3.061 20 0 GGADMN COc1c(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cccc1C(=O)[O-] ZINC001599342972 997952505 /nfs/dbraw/zinc/95/25/05/997952505.db2.gz WDRKHYUMLAELPW-UHFFFAOYSA-N 0 1 379.416 3.115 20 0 GGADMN COc1c(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)cccc1C(=O)[O-] ZINC001599342972 997952514 /nfs/dbraw/zinc/95/25/14/997952514.db2.gz WDRKHYUMLAELPW-UHFFFAOYSA-N 0 1 379.416 3.115 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940298 997955026 /nfs/dbraw/zinc/95/50/26/997955026.db2.gz RPWVRDHVBKUEGI-KBPBESRZSA-N 0 1 396.443 3.118 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940298 997955038 /nfs/dbraw/zinc/95/50/38/997955038.db2.gz RPWVRDHVBKUEGI-KBPBESRZSA-N 0 1 396.443 3.118 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940299 997955786 /nfs/dbraw/zinc/95/57/86/997955786.db2.gz RPWVRDHVBKUEGI-KGLIPLIRSA-N 0 1 396.443 3.118 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940299 997955794 /nfs/dbraw/zinc/95/57/94/997955794.db2.gz RPWVRDHVBKUEGI-KGLIPLIRSA-N 0 1 396.443 3.118 20 0 GGADMN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(/C=C\C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443050 997962063 /nfs/dbraw/zinc/96/20/63/997962063.db2.gz MRTUPQHMCKRTNI-LZNQSLFOSA-N 0 1 386.448 3.471 20 0 GGADMN COCC[N@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1cc(Br)cs1 ZINC001599237975 997980277 /nfs/dbraw/zinc/98/02/77/997980277.db2.gz GCJBDURRLHVPAW-UHFFFAOYSA-N 0 1 387.299 3.494 20 0 GGADMN COCC[N@@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1cc(Br)cs1 ZINC001599237975 997980285 /nfs/dbraw/zinc/98/02/85/997980285.db2.gz GCJBDURRLHVPAW-UHFFFAOYSA-N 0 1 387.299 3.494 20 0 GGADMN COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599238490 997991352 /nfs/dbraw/zinc/99/13/52/997991352.db2.gz YWAUZNPGXVZUKZ-UHFFFAOYSA-N 0 1 377.824 3.416 20 0 GGADMN COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599238490 997991364 /nfs/dbraw/zinc/99/13/64/997991364.db2.gz YWAUZNPGXVZUKZ-UHFFFAOYSA-N 0 1 377.824 3.416 20 0 GGADMN COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001599551490 998015296 /nfs/dbraw/zinc/01/52/96/998015296.db2.gz UHFHUUQCNWDFPB-CYBMUJFWSA-N 0 1 381.432 3.105 20 0 GGADMN COc1cc(OC)c(NC(=O)CC[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC001599448057 998042261 /nfs/dbraw/zinc/04/22/61/998042261.db2.gz JVVXMMUHHNQJLM-LLVKDONJSA-N 0 1 384.860 3.013 20 0 GGADMN COc1cc(Br)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1O ZINC001599348162 998046219 /nfs/dbraw/zinc/04/62/19/998046219.db2.gz QEXIINSMPPMSRU-GFCCVEGCSA-N 0 1 386.286 3.486 20 0 GGADMN COc1cc(OC)c(NC(=O)CC[N@@H+](CC(=O)[O-])C2CCCC2)cc1Cl ZINC001599448551 998050259 /nfs/dbraw/zinc/05/02/59/998050259.db2.gz ZCDIIFWTFBGOKX-UHFFFAOYSA-N 0 1 384.860 3.015 20 0 GGADMN COCC[N@H+]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C(C)(C)C1 ZINC001599242345 998068105 /nfs/dbraw/zinc/06/81/05/998068105.db2.gz BJUJUWRPBQPTHE-UHFFFAOYSA-N 0 1 389.521 3.051 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599450429 998084375 /nfs/dbraw/zinc/08/43/75/998084375.db2.gz FJWFUTGEEWSYIW-FSPWUOQZSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599450428 998085616 /nfs/dbraw/zinc/08/56/16/998085616.db2.gz FJWFUTGEEWSYIW-DOPJRALCSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC001599450597 998087669 /nfs/dbraw/zinc/08/76/69/998087669.db2.gz HVMMCICFXDLZDL-HXUWFJFHSA-N 0 1 388.439 3.181 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)O1 ZINC001594099216 998094696 /nfs/dbraw/zinc/09/46/96/998094696.db2.gz AMBOWRJTRDGTIP-WHSLLNHNSA-N 0 1 394.512 3.151 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)O1 ZINC001594099213 998094800 /nfs/dbraw/zinc/09/48/00/998094800.db2.gz AMBOWRJTRDGTIP-GCKMJXCFSA-N 0 1 394.512 3.151 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC001599450936 998097104 /nfs/dbraw/zinc/09/71/04/998097104.db2.gz OUHUXGPSKXWRAD-JTSKRJEESA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC001599450936 998097114 /nfs/dbraw/zinc/09/71/14/998097114.db2.gz OUHUXGPSKXWRAD-JTSKRJEESA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC001599450936 998097126 /nfs/dbraw/zinc/09/71/26/998097126.db2.gz OUHUXGPSKXWRAD-JTSKRJEESA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599451220 998103328 /nfs/dbraw/zinc/10/33/28/998103328.db2.gz XOUHBOCMLIZIGE-DHSIGJKJSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC001599451188 998103764 /nfs/dbraw/zinc/10/37/64/998103764.db2.gz WKYQZVPMSRGGRS-MGPUTAFESA-N 0 1 399.491 3.242 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 ZINC001599452114 998121365 /nfs/dbraw/zinc/12/13/65/998121365.db2.gz DYUQYXYDQXFXQS-VOQZNFBZSA-N 0 1 396.487 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001599452114 998121376 /nfs/dbraw/zinc/12/13/76/998121376.db2.gz DYUQYXYDQXFXQS-VOQZNFBZSA-N 0 1 396.487 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001599452114 998121383 /nfs/dbraw/zinc/12/13/83/998121383.db2.gz DYUQYXYDQXFXQS-VOQZNFBZSA-N 0 1 396.487 3.036 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)O1 ZINC001594103185 998127803 /nfs/dbraw/zinc/12/78/03/998127803.db2.gz NVOIWRRGNBPDOX-HOTGVXAUSA-N 0 1 382.501 3.245 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)O1 ZINC001594103745 998143095 /nfs/dbraw/zinc/14/30/95/998143095.db2.gz DHRRJRQVGLUANI-HNJRGHQBSA-N 0 1 385.460 3.120 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)CC2CC2)c(OC)c1 ZINC001599559105 998154782 /nfs/dbraw/zinc/15/47/82/998154782.db2.gz VWXJAPKWDAXZJZ-UHFFFAOYSA-N 0 1 398.459 3.253 20 0 GGADMN COc1ccc(C[N@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)CC2CC2)c(OC)c1 ZINC001599559105 998154787 /nfs/dbraw/zinc/15/47/87/998154787.db2.gz VWXJAPKWDAXZJZ-UHFFFAOYSA-N 0 1 398.459 3.253 20 0 GGADMN COc1cc(OC)cc([C@@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453975 998155831 /nfs/dbraw/zinc/15/58/31/998155831.db2.gz UKXDIPJNRHKHTG-FYYLOGMGSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453975 998155836 /nfs/dbraw/zinc/15/58/36/998155836.db2.gz UKXDIPJNRHKHTG-FYYLOGMGSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453975 998155842 /nfs/dbraw/zinc/15/58/42/998155842.db2.gz UKXDIPJNRHKHTG-FYYLOGMGSA-N 0 1 398.503 3.331 20 0 GGADMN COc1nsc(C[N@@H+](Cc2ccc(OC)cc2OC)CC2CC2)c1C(=O)[O-] ZINC001599559944 998171848 /nfs/dbraw/zinc/17/18/48/998171848.db2.gz XBMILLVYKBEKHL-UHFFFAOYSA-N 0 1 392.477 3.279 20 0 GGADMN COc1nsc(C[N@H+](Cc2ccc(OC)cc2OC)CC2CC2)c1C(=O)[O-] ZINC001599559944 998171854 /nfs/dbraw/zinc/17/18/54/998171854.db2.gz XBMILLVYKBEKHL-UHFFFAOYSA-N 0 1 392.477 3.279 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599560718 998188577 /nfs/dbraw/zinc/18/85/77/998188577.db2.gz MRMYHHBDZIVTPN-QGZVFWFLSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599560718 998188582 /nfs/dbraw/zinc/18/85/82/998188582.db2.gz MRMYHHBDZIVTPN-QGZVFWFLSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[NH+]2CCC(c3ncc(C(=O)[O-])s3)CC2)c(F)c1OC ZINC001599561652 998208183 /nfs/dbraw/zinc/20/81/83/998208183.db2.gz XUHDXMSKGGYVRD-UHFFFAOYSA-N 0 1 380.441 3.377 20 0 GGADMN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598957087 998261838 /nfs/dbraw/zinc/26/18/38/998261838.db2.gz WAFQYADILQVCLM-INIZCTEOSA-N 0 1 395.415 3.253 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599564765 998264716 /nfs/dbraw/zinc/26/47/16/998264716.db2.gz RTGUKRMTGBUEGW-LEWJYISDSA-N 0 1 391.471 3.240 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CC(=O)[O-])c3cccnc3)co2)cc1 ZINC001598957295 998266695 /nfs/dbraw/zinc/26/66/95/998266695.db2.gz ZZULSYIQJCAYQG-OAQYLSRUSA-N 0 1 395.415 3.003 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C(=O)[O-])c(C)c1)CC2 ZINC001599462598 998299896 /nfs/dbraw/zinc/29/98/96/998299896.db2.gz BGFOCHALEXXXAX-UHFFFAOYSA-N 0 1 385.460 3.320 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])CC2 ZINC001599462784 998303542 /nfs/dbraw/zinc/30/35/42/998303542.db2.gz KBJQIGNEKXWFFM-RDJZCZTQSA-N 0 1 377.481 3.004 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(C)(C)C)C2)c1 ZINC001598960682 998322693 /nfs/dbraw/zinc/32/26/93/998322693.db2.gz KPWBCSRCKXCVBV-ZFWWWQNUSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2ccccc2)c1 ZINC001598960825 998325754 /nfs/dbraw/zinc/32/57/54/998325754.db2.gz LRCIAHOWOQLIIK-HUUCEWRRSA-N 0 1 398.459 3.234 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cc3c(cc[nH]c3=O)o1)CC2 ZINC001599464042 998326797 /nfs/dbraw/zinc/32/67/97/998326797.db2.gz YCUOBYTZUDOPIJ-INIZCTEOSA-N 0 1 398.415 3.125 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cc3c(cc[nH]c3=O)o1)CC2 ZINC001599464042 998326811 /nfs/dbraw/zinc/32/68/11/998326811.db2.gz YCUOBYTZUDOPIJ-INIZCTEOSA-N 0 1 398.415 3.125 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(C)C)CC2)c1 ZINC001598960872 998327293 /nfs/dbraw/zinc/32/72/93/998327293.db2.gz MZWXJFWZKBKARS-HUUCEWRRSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001598965345 998407425 /nfs/dbraw/zinc/40/74/25/998407425.db2.gz BQONYTZLGRIERN-CYBMUJFWSA-N 0 1 388.464 3.177 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001598965345 998407430 /nfs/dbraw/zinc/40/74/30/998407430.db2.gz BQONYTZLGRIERN-CYBMUJFWSA-N 0 1 388.464 3.177 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001598965385 998408075 /nfs/dbraw/zinc/40/80/75/998408075.db2.gz DODKEZBXEIRFKD-KBPBESRZSA-N 0 1 388.464 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC001598965463 998410468 /nfs/dbraw/zinc/41/04/68/998410468.db2.gz OMTBLEMTVAQHPU-HUUCEWRRSA-N 0 1 390.480 3.257 20 0 GGADMN COc1ccc(CNc2[nH]c3cccc(C(=O)[O-])c3[nH+]2)c(Br)c1O ZINC001599575002 998428666 /nfs/dbraw/zinc/42/86/66/998428666.db2.gz RUDPJYLKFIXKEI-UHFFFAOYSA-N 0 1 392.209 3.350 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001599374168 998460805 /nfs/dbraw/zinc/46/08/05/998460805.db2.gz WPIFCHIZZQBDEV-MRXNPFEDSA-N 0 1 391.855 3.471 20 0 GGADMN COCCc1ncc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)s1 ZINC001599265751 998465245 /nfs/dbraw/zinc/46/52/45/998465245.db2.gz LDUCYNNPLXILLH-JKSUJKDBSA-N 0 1 380.897 3.286 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001599577673 998472140 /nfs/dbraw/zinc/47/21/40/998472140.db2.gz BUGAQFVWSAZSEC-CHWSQXEVSA-N 0 1 382.888 3.498 20 0 GGADMN COC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001599162509 998482972 /nfs/dbraw/zinc/48/29/72/998482972.db2.gz YILDUCUPTDTBBS-MGPUTAFESA-N 0 1 382.460 3.348 20 0 GGADMN COC(=O)c1ccc([C@@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)o1 ZINC001598970033 998497766 /nfs/dbraw/zinc/49/77/66/998497766.db2.gz URSXZLBXGPEVOL-DDTOSNHZSA-N 0 1 379.359 3.206 20 0 GGADMN COc1ccc(Br)c([C@H](C(=O)[O-])[N@@H+](C)CC2CCC(=O)CC2)c1 ZINC001599474704 998510062 /nfs/dbraw/zinc/51/00/62/998510062.db2.gz DFPHLLRIVUNFOH-MRXNPFEDSA-N 0 1 384.270 3.275 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001594148987 998511256 /nfs/dbraw/zinc/51/12/56/998511256.db2.gz GOUYZNDVFXRCJS-ZTFGCOKTSA-N 0 1 393.915 3.199 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001594148987 998511270 /nfs/dbraw/zinc/51/12/70/998511270.db2.gz GOUYZNDVFXRCJS-ZTFGCOKTSA-N 0 1 393.915 3.199 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001599475530 998525625 /nfs/dbraw/zinc/52/56/25/998525625.db2.gz SNABQSXGACTQEA-QGZVFWFLSA-N 0 1 379.254 3.332 20 0 GGADMN COc1ccc(Br)c(C[NH2+]Cc2ccccc2OCC(=O)[O-])c1 ZINC001599475769 998529862 /nfs/dbraw/zinc/52/98/62/998529862.db2.gz HPJRUAZWODUVQZ-UHFFFAOYSA-N 0 1 380.238 3.211 20 0 GGADMN COC(=O)c1ccc(C[N@H+](C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001598972182 998536710 /nfs/dbraw/zinc/53/67/10/998536710.db2.gz LIJSHCWAWHDZPM-UHFFFAOYSA-N 0 1 382.210 3.159 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001598972182 998536724 /nfs/dbraw/zinc/53/67/24/998536724.db2.gz LIJSHCWAWHDZPM-UHFFFAOYSA-N 0 1 382.210 3.159 20 0 GGADMN COc1ccc(Br)cc1C[NH2+][C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001599476367 998539062 /nfs/dbraw/zinc/53/90/62/998539062.db2.gz RTOFVCNJJVHLDH-KRWDZBQOSA-N 0 1 379.254 3.332 20 0 GGADMN COC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2OC)n1C ZINC001598972557 998545074 /nfs/dbraw/zinc/54/50/74/998545074.db2.gz DCOVXNZYCOLGTQ-QGZVFWFLSA-N 0 1 386.448 3.246 20 0 GGADMN COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2OC)n1C ZINC001598972557 998545085 /nfs/dbraw/zinc/54/50/85/998545085.db2.gz DCOVXNZYCOLGTQ-QGZVFWFLSA-N 0 1 386.448 3.246 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)c2ncccc12 ZINC001598974102 998572452 /nfs/dbraw/zinc/57/24/52/998572452.db2.gz INHJOHNRIFZHCH-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1Cl ZINC001598974522 998579602 /nfs/dbraw/zinc/57/96/02/998579602.db2.gz OAICOJMLFUXSBD-QGZVFWFLSA-N 0 1 375.808 3.147 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1Cl ZINC001598974522 998579617 /nfs/dbraw/zinc/57/96/17/998579617.db2.gz OAICOJMLFUXSBD-QGZVFWFLSA-N 0 1 375.808 3.147 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001594165773 998618931 /nfs/dbraw/zinc/61/89/31/998618931.db2.gz GJJYBLKFVXIEIF-UZLBHIALSA-N 0 1 382.460 3.389 20 0 GGADMN COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)[C@H](C)C2)cc1 ZINC001598977685 998620520 /nfs/dbraw/zinc/62/05/20/998620520.db2.gz OXLCJZNRJBEQPI-CQSZACIVSA-N 0 1 386.423 3.021 20 0 GGADMN COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)[C@H](C)C2)cc1 ZINC001598977685 998620525 /nfs/dbraw/zinc/62/05/25/998620525.db2.gz OXLCJZNRJBEQPI-CQSZACIVSA-N 0 1 386.423 3.021 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166052 998623639 /nfs/dbraw/zinc/62/36/39/998623639.db2.gz MWNMFBAICDFOFU-RYUDHWBXSA-N 0 1 384.461 3.025 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166052 998623646 /nfs/dbraw/zinc/62/36/46/998623646.db2.gz MWNMFBAICDFOFU-RYUDHWBXSA-N 0 1 384.461 3.025 20 0 GGADMN COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599172313 998623980 /nfs/dbraw/zinc/62/39/80/998623980.db2.gz CJKWMZCYRHZBHP-MRXNPFEDSA-N 0 1 396.365 3.319 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001594166322 998627175 /nfs/dbraw/zinc/62/71/75/998627175.db2.gz RZIBSOCDEHENAO-CRAIPNDOSA-N 0 1 396.491 3.263 20 0 GGADMN COC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001599172887 998629860 /nfs/dbraw/zinc/62/98/60/998629860.db2.gz IZIOZKMQGRRFKF-AWEZNQCLSA-N 0 1 398.431 3.257 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001594168241 998649035 /nfs/dbraw/zinc/64/90/35/998649035.db2.gz UYTPXZBSBQZVBN-UZLBHIALSA-N 0 1 376.460 3.288 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001594176657 998680748 /nfs/dbraw/zinc/68/07/48/998680748.db2.gz KIAJQXQSKWCOFQ-KZNAEPCWSA-N 0 1 380.488 3.437 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001594176930 998683265 /nfs/dbraw/zinc/68/32/65/998683265.db2.gz ORGBMQHSEKZPGD-HRCADAONSA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@@H](C)[N@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594177077 998685060 /nfs/dbraw/zinc/68/50/60/998685060.db2.gz RJCCSBLCHXMPRE-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594177077 998685063 /nfs/dbraw/zinc/68/50/63/998685063.db2.gz RJCCSBLCHXMPRE-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN COC(=O)c1ccc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])nc2c1 ZINC001598988826 998718262 /nfs/dbraw/zinc/71/82/62/998718262.db2.gz VGTRFSOIHNOFDK-AWEZNQCLSA-N 0 1 381.432 3.072 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1ccc(C(=O)[O-])c3cccnc13)C2 ZINC001598990829 998735584 /nfs/dbraw/zinc/73/55/84/998735584.db2.gz XDSNPSIXMIYRHF-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1ccc(C(=O)[O-])c3cccnc13)C2 ZINC001598990829 998735588 /nfs/dbraw/zinc/73/55/88/998735588.db2.gz XDSNPSIXMIYRHF-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001594189896 998736296 /nfs/dbraw/zinc/73/62/96/998736296.db2.gz CKCGGFHKAXVRAX-PXAZEXFGSA-N 0 1 389.402 3.448 20 0 GGADMN C[C@H]1[C@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CC[N@H+]1Cc1ccccc1 ZINC001594189955 998736322 /nfs/dbraw/zinc/73/63/22/998736322.db2.gz DFQRHSDWBRXSEJ-PKOBYXMFSA-N 0 1 387.524 3.374 20 0 GGADMN C[C@H]1[C@@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001594189979 998737320 /nfs/dbraw/zinc/73/73/20/998737320.db2.gz DOXHVANVKBQDBR-KKSFZXQISA-N 0 1 393.487 3.116 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594191301 998747348 /nfs/dbraw/zinc/74/73/48/998747348.db2.gz VQKAITDCVRELRZ-IIBYNOLFSA-N 0 1 393.487 3.116 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)c1 ZINC001598994262 998764303 /nfs/dbraw/zinc/76/43/03/998764303.db2.gz CBWHLYRFQOKHLI-MJGOQNOKSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC001598996079 998780515 /nfs/dbraw/zinc/78/05/15/998780515.db2.gz LOCWCUHVYLWZFC-UGKGYDQZSA-N 0 1 381.428 3.120 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-])o1 ZINC001599002447 998830632 /nfs/dbraw/zinc/83/06/32/998830632.db2.gz JOXMMZBNRCWYOE-KRWDZBQOSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-])o1 ZINC001599002447 998830636 /nfs/dbraw/zinc/83/06/36/998830636.db2.gz JOXMMZBNRCWYOE-KRWDZBQOSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001599002544 998831162 /nfs/dbraw/zinc/83/11/62/998831162.db2.gz QDRFJEFZDFHIGY-QGZVFWFLSA-N 0 1 386.448 3.116 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001594224991 998863570 /nfs/dbraw/zinc/86/35/70/998863570.db2.gz BTWGUKCZTMLTCQ-CALCHBBNSA-N 0 1 375.513 3.284 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001594226030 998866843 /nfs/dbraw/zinc/86/68/43/998866843.db2.gz MEDNWIRGVGLLRC-GASCZTMLSA-N 0 1 379.476 3.081 20 0 GGADMN COC(=O)c1cnc([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008713 998878435 /nfs/dbraw/zinc/87/84/35/998878435.db2.gz CATNBTMNQLOPFM-WFASDCNBSA-N 0 1 378.425 3.074 20 0 GGADMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ccnc4c(C(=O)[O-])cccc34)C2)s1 ZINC001599008860 998879982 /nfs/dbraw/zinc/87/99/82/998879982.db2.gz FJAMPKXZACJXJU-ZDUSSCGKSA-N 0 1 397.456 3.166 20 0 GGADMN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C(=O)[O-])C2)s1 ZINC001599009130 998881719 /nfs/dbraw/zinc/88/17/19/998881719.db2.gz JLYZCSKOZQRVOC-LBPRGKRZSA-N 0 1 378.425 3.147 20 0 GGADMN COC(=O)c1cnc([C@H](C)[NH2+]CCOc2ccc(C(=O)[O-])cc2Cl)s1 ZINC001599009366 998884342 /nfs/dbraw/zinc/88/43/42/998884342.db2.gz MZIKDOSBHTZSSQ-VIFPVBQESA-N 0 1 384.841 3.011 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(CC(=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC001594232477 998885418 /nfs/dbraw/zinc/88/54/18/998885418.db2.gz KVGCNBCLGYWIDO-SJLPKXTDSA-N 0 1 396.491 3.131 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC001594232559 998886186 /nfs/dbraw/zinc/88/61/86/998886186.db2.gz MQWPZFVBCBXWDT-CLWLKPMESA-N 0 1 399.535 3.326 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001594235820 998897478 /nfs/dbraw/zinc/89/74/78/998897478.db2.gz FOFOCNLHKKKPSV-PFRQMTDMSA-N 0 1 387.524 3.169 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](CCN[C@](C)(C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594237538 998904873 /nfs/dbraw/zinc/90/48/73/998904873.db2.gz KVFPGPUWDNHBNT-LBTNJELSSA-N 0 1 383.330 3.316 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)C1 ZINC001594237721 998906063 /nfs/dbraw/zinc/90/60/63/998906063.db2.gz NVPYXYDEEKGWIV-FUHIMQAGSA-N 0 1 393.959 3.061 20 0 GGADMN C[C@@H]1C[C@@H](C)CN(CC[N@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594239272 998912210 /nfs/dbraw/zinc/91/22/10/998912210.db2.gz TXKIPWYUNVMAPS-CPUCHLNUSA-N 0 1 383.330 3.485 20 0 GGADMN C[C@@H]1C[C@@H](C)CN(CC[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594239272 998912212 /nfs/dbraw/zinc/91/22/12/998912212.db2.gz TXKIPWYUNVMAPS-CPUCHLNUSA-N 0 1 383.330 3.485 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594239277 998912249 /nfs/dbraw/zinc/91/22/49/998912249.db2.gz TXKOMLWAJHEDPE-YZLZLFLDSA-N 0 1 387.524 3.217 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC001594244941 998934043 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C[C@H]1CC[C@]([NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)(C(=O)[O-])c2ccccc21 ZINC001594321377 999235626 /nfs/dbraw/zinc/23/56/26/999235626.db2.gz CQODQCXEYYNYCS-RCDICMHDSA-N 0 1 398.507 3.123 20 0 GGADMN C[C@@H](NC(=O)C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21)c1ccc(F)cc1 ZINC001594323154 999246011 /nfs/dbraw/zinc/24/60/11/999246011.db2.gz QYPNMAMHLTVLDF-HLFMIMNKSA-N 0 1 384.451 3.470 20 0 GGADMN C[C@H](NC(=O)C[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21)c1ccc(F)cc1 ZINC001594323156 999246121 /nfs/dbraw/zinc/24/61/21/999246121.db2.gz QYPNMAMHLTVLDF-ZCCHDVMBSA-N 0 1 384.451 3.470 20 0 GGADMN C[C@@H]1CC[C@](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324487 999252209 /nfs/dbraw/zinc/25/22/09/999252209.db2.gz ZJKHDCKMLGYBDX-XMDBHEJHSA-N 0 1 376.472 3.193 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001594375079 999414458 /nfs/dbraw/zinc/41/44/58/999414458.db2.gz WTEBHQHHBONNLO-GJZGRUSLSA-N 0 1 390.505 3.079 20 0 GGADMN C[C@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC[C@H]1C(=O)[O-] ZINC001594375366 999416177 /nfs/dbraw/zinc/41/61/77/999416177.db2.gz PIECTRBVFIRIGY-OKZBNKHCSA-N 0 1 388.508 3.123 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1 ZINC001594375476 999416634 /nfs/dbraw/zinc/41/66/34/999416634.db2.gz UFLBGIHETMXMEI-PKOFMYQESA-N 0 1 391.556 3.172 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001594375426 999416704 /nfs/dbraw/zinc/41/67/04/999416704.db2.gz RPBJAZSKIYJMPQ-MRXNPFEDSA-N 0 1 388.512 3.217 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001594375425 999416826 /nfs/dbraw/zinc/41/68/26/999416826.db2.gz RPBJAZSKIYJMPQ-INIZCTEOSA-N 0 1 388.512 3.217 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380379 999436530 /nfs/dbraw/zinc/43/65/30/999436530.db2.gz KWOCEHVFHUUACY-YJBOKZPZSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380379 999436532 /nfs/dbraw/zinc/43/65/32/999436532.db2.gz KWOCEHVFHUUACY-YJBOKZPZSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001594380605 999437845 /nfs/dbraw/zinc/43/78/45/999437845.db2.gz QNFIPVLMVQOCKW-DOTOQJQBSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001594380605 999437849 /nfs/dbraw/zinc/43/78/49/999437849.db2.gz QNFIPVLMVQOCKW-DOTOQJQBSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](CC(=O)[O-])C3CC3)cc2)C1 ZINC001594382765 999443930 /nfs/dbraw/zinc/44/39/30/999443930.db2.gz BVMPFTPUVQVATP-OXQOHEQNSA-N 0 1 387.524 3.219 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594382738 999444118 /nfs/dbraw/zinc/44/41/18/999444118.db2.gz BECVYJQNSBQGDA-RHSMWYFYSA-N 0 1 377.485 3.295 20 0 GGADMN C[C@H](CNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)[N@H+]1CCC[C@@H](C)C1 ZINC001594382986 999445032 /nfs/dbraw/zinc/44/50/32/999445032.db2.gz JTGVUHORYQVQFI-GPMSIDNRSA-N 0 1 387.524 3.224 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)[N@H+]1CCC[C@@H](C)C1 ZINC001594382988 999445183 /nfs/dbraw/zinc/44/51/83/999445183.db2.gz JTGVUHORYQVQFI-MDZRGWNJSA-N 0 1 387.524 3.224 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001594383106 999446512 /nfs/dbraw/zinc/44/65/12/999446512.db2.gz HEUDTBVBVSTAIX-NYDSKATKSA-N 0 1 399.535 3.315 20 0 GGADMN C[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001594383345 999447495 /nfs/dbraw/zinc/44/74/95/999447495.db2.gz IDLYNJOBRWSLBY-RDJZCZTQSA-N 0 1 392.496 3.389 20 0 GGADMN C[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001594383343 999447586 /nfs/dbraw/zinc/44/75/86/999447586.db2.gz IDLYNJOBRWSLBY-DOTOQJQBSA-N 0 1 392.496 3.389 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001594383409 999447634 /nfs/dbraw/zinc/44/76/34/999447634.db2.gz JEIBBOSFOKFRCL-OAHLLOKOSA-N 0 1 382.464 3.333 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001594383346 999447755 /nfs/dbraw/zinc/44/77/55/999447755.db2.gz IDLYNJOBRWSLBY-WBVHZDCISA-N 0 1 392.496 3.389 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594383486 999448080 /nfs/dbraw/zinc/44/80/80/999448080.db2.gz NBJSWPLKVRVRSO-SOLBZPMBSA-N 0 1 375.513 3.258 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594383727 999450222 /nfs/dbraw/zinc/45/02/22/999450222.db2.gz QAYFIXWIVFXDAK-GPMSIDNRSA-N 0 1 387.524 3.224 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594383821 999451157 /nfs/dbraw/zinc/45/11/57/999451157.db2.gz MAHUCVVOABTGMH-PBHICJAKSA-N 0 1 377.485 3.295 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001594384280 999454641 /nfs/dbraw/zinc/45/46/41/999454641.db2.gz QGZXTCIIWCXUMD-QAPCUYQASA-N 0 1 392.496 3.389 20 0 GGADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C[C@H]1n1ccnc1 ZINC001594412615 999541602 /nfs/dbraw/zinc/54/16/02/999541602.db2.gz POOQXIZRGIWGRN-DAXOMENPSA-N 0 1 378.270 3.354 20 0 GGADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594412928 999543368 /nfs/dbraw/zinc/54/33/68/999543368.db2.gz VXGPCUINPQQCEU-JKIFEVAISA-N 0 1 380.460 3.434 20 0 GGADMN C[C@@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594418747 999562778 /nfs/dbraw/zinc/56/27/78/999562778.db2.gz IXVQOOUXXVDVJV-APWZRJJASA-N 0 1 379.932 3.037 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001594419200 999564687 /nfs/dbraw/zinc/56/46/87/999564687.db2.gz RPEKHROWIZNLFQ-OXQOHEQNSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C(=O)[O-])C1 ZINC001594421963 999572176 /nfs/dbraw/zinc/57/21/76/999572176.db2.gz IWGDCZOHPFLNPN-SUMWQHHRSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@@H](C(=O)[O-])C1 ZINC001594421963 999572179 /nfs/dbraw/zinc/57/21/79/999572179.db2.gz IWGDCZOHPFLNPN-SUMWQHHRSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594423341 999579832 /nfs/dbraw/zinc/57/98/32/999579832.db2.gz TVAHCMRWVDTHPS-RDJZCZTQSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594423829 999584216 /nfs/dbraw/zinc/58/42/16/999584216.db2.gz IXXKHXWLHJVHQU-PEGRTIRESA-N 0 1 378.469 3.360 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2CC(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594426016 999591087 /nfs/dbraw/zinc/59/10/87/999591087.db2.gz FRIRNRCKIUYVEP-YJBOKZPZSA-N 0 1 376.497 3.296 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCSC[C@H]3C)c2C(=O)[O-])C1 ZINC001594443153 999630377 /nfs/dbraw/zinc/63/03/77/999630377.db2.gz ALTQVOXPCLUYQO-NWDGAFQWSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCSC[C@H]3C)c2C(=O)[O-])C1 ZINC001594443153 999630378 /nfs/dbraw/zinc/63/03/78/999630378.db2.gz ALTQVOXPCLUYQO-NWDGAFQWSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCOC(C)(C)C3)c2C(=O)[O-])C1 ZINC001594443243 999630673 /nfs/dbraw/zinc/63/06/73/999630673.db2.gz BUSQIRUSVGKCCV-LBPRGKRZSA-N 0 1 380.510 3.011 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCOC(C)(C)C3)c2C(=O)[O-])C1 ZINC001594443243 999630676 /nfs/dbraw/zinc/63/06/76/999630676.db2.gz BUSQIRUSVGKCCV-LBPRGKRZSA-N 0 1 380.510 3.011 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(C[N@H+]4C[C@@H]5CCC[C@H]5[C@@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444157 999632849 /nfs/dbraw/zinc/63/28/49/999632849.db2.gz NIJQHEPFWSYRTD-UZTWBRENSA-N 0 1 386.521 3.083 20 0 GGADMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001594458215 999664204 /nfs/dbraw/zinc/66/42/04/999664204.db2.gz FYVBJOPGDWJJJP-RIDHJDLKSA-N 0 1 388.508 3.131 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594462155 999672578 /nfs/dbraw/zinc/67/25/78/999672578.db2.gz DRJMZKMRARVXEV-MRXNPFEDSA-N 0 1 376.472 3.035 20 0 GGADMN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000426743436 1126085817 /nfs/dbraw/zinc/08/58/17/1126085817.db2.gz AOLIYVWMQHNHJA-HXUWFJFHSA-N 0 1 388.427 3.313 20 0 GGADMN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000426743433 1126085892 /nfs/dbraw/zinc/08/58/92/1126085892.db2.gz AOLIYVWMQHNHJA-FQEVSTJZSA-N 0 1 388.427 3.313 20 0 GGADMN COc1cc(C[C@H]([NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])cc(OC)c1 ZINC000426801566 1126091248 /nfs/dbraw/zinc/09/12/48/1126091248.db2.gz UTVACVBZQCLJRE-SJCJKPOMSA-N 0 1 390.505 3.071 20 0 GGADMN OC[C@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000534452828 1126096704 /nfs/dbraw/zinc/09/67/04/1126096704.db2.gz YUNLUELWIQFQBP-HNNXBMFYSA-N 0 1 399.857 3.234 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@H](CO)Cc1cccc(C)c1 ZINC000467363198 1126094591 /nfs/dbraw/zinc/09/45/91/1126094591.db2.gz YOEZURUSJJQROP-FQEVSTJZSA-N 0 1 393.487 3.051 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@@H](CO)Cc1cccc(C)c1 ZINC000467363199 1126094752 /nfs/dbraw/zinc/09/47/52/1126094752.db2.gz YOEZURUSJJQROP-HXUWFJFHSA-N 0 1 393.487 3.051 20 0 GGADMN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000534452831 1126096865 /nfs/dbraw/zinc/09/68/65/1126096865.db2.gz YUNLUELWIQFQBP-OAHLLOKOSA-N 0 1 399.857 3.234 20 0 GGADMN COc1ccccc1-c1ncc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cn1 ZINC000491403501 1126094924 /nfs/dbraw/zinc/09/49/24/1126094924.db2.gz YKBYUKUISZZYPZ-AZUAARDMSA-N 0 1 399.441 3.479 20 0 GGADMN COC(=O)c1ccc(Cl)c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1 ZINC000482234215 1126095004 /nfs/dbraw/zinc/09/50/04/1126095004.db2.gz LBGRYGYVAQQUEJ-DLBZAZTESA-N 0 1 383.822 3.454 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000500229152 1126095232 /nfs/dbraw/zinc/09/52/32/1126095232.db2.gz NFIGNCQELVLHPC-HNNXBMFYSA-N 0 1 395.265 3.406 20 0 GGADMN CCc1cc2oc(=O)cc(CN[C@@]3(CO)COc4ccccc4C3)c2cc1Cl ZINC000528649391 1126096350 /nfs/dbraw/zinc/09/63/50/1126096350.db2.gz HRADCOXTICRJFC-QFIPXVFZSA-N 0 1 399.874 3.465 20 0 GGADMN COC(=O)c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1F ZINC000597057158 1126098637 /nfs/dbraw/zinc/09/86/37/1126098637.db2.gz LOJUVRWAZVDMFY-SJORKVTESA-N 0 1 385.357 3.236 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000604766629 1126100442 /nfs/dbraw/zinc/10/04/42/1126100442.db2.gz YAWCPNBKNQABFU-DNVCBOLYSA-N 0 1 399.409 3.337 20 0 GGADMN COc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(OC)c1OC ZINC000604766650 1126100453 /nfs/dbraw/zinc/10/04/53/1126100453.db2.gz YORNEDXRTVXQFM-DNVCBOLYSA-N 0 1 399.409 3.337 20 0 GGADMN Cn1c(=O)c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc2ccccc21 ZINC000640566539 1126103031 /nfs/dbraw/zinc/10/30/31/1126103031.db2.gz FSFXWXMMDGYVIG-IEBWSBKVSA-N 0 1 390.405 3.163 20 0 GGADMN COc1cc(OC)c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1F ZINC000651711195 1126103847 /nfs/dbraw/zinc/10/38/47/1126103847.db2.gz BMVNNNRKLBVUTQ-CRAIPNDOSA-N 0 1 387.373 3.467 20 0 GGADMN Cc1cc(C)n(C[C@@H]([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)C(=O)[O-])n1 ZINC000653503839 1126103943 /nfs/dbraw/zinc/10/39/43/1126103943.db2.gz YHIHEWNFWZWZEY-GOSISDBHSA-N 0 1 384.505 3.483 20 0 GGADMN COc1cc(F)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000651711328 1126103949 /nfs/dbraw/zinc/10/39/49/1126103949.db2.gz GSRGFTAOVDPJGE-QAPCUYQASA-N 0 1 387.373 3.467 20 0 GGADMN Cc1nn2c(nc(C)c2CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000678929764 1126105677 /nfs/dbraw/zinc/10/56/77/1126105677.db2.gz MZYYVSRFTKSNPE-HIFRSBDPSA-N 0 1 384.427 3.032 20 0 GGADMN COc1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(OC)c1O ZINC000685424445 1126106318 /nfs/dbraw/zinc/10/63/18/1126106318.db2.gz SAWIEZOKAQWNGJ-KSSFIOAISA-N 0 1 385.382 3.034 20 0 GGADMN Cc1ccc(C[C@@H](CO)NCc2ccccc2I)cc1 ZINC000786165966 1126110100 /nfs/dbraw/zinc/11/01/00/1126110100.db2.gz YEHSRSMTPKNWJR-INIZCTEOSA-N 0 1 381.257 3.293 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812843654 1126110744 /nfs/dbraw/zinc/11/07/44/1126110744.db2.gz PSIFPFALYPXAGJ-AWEZNQCLSA-N 0 1 383.822 3.357 20 0 GGADMN CC[C@@]([NH2+]Cc1cnc(N2CCOCC2)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871333 1126130678 /nfs/dbraw/zinc/13/06/78/1126130678.db2.gz BDJSTBDHYVEJRE-SFHVURJKSA-N 0 1 395.912 3.113 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000904049712 1126132149 /nfs/dbraw/zinc/13/21/49/1126132149.db2.gz HYPNPXPKOBJSDI-INIZCTEOSA-N 0 1 387.871 3.158 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000904052748 1126132276 /nfs/dbraw/zinc/13/22/76/1126132276.db2.gz HYPNPXPKOBJSDI-MRXNPFEDSA-N 0 1 387.871 3.158 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1ccc(Oc2ccccc2)nn1 ZINC000931602785 1126136181 /nfs/dbraw/zinc/13/61/81/1126136181.db2.gz IBVXAMKEIXTNEK-JOCHJYFZSA-N 0 1 379.460 3.361 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000931602818 1126136505 /nfs/dbraw/zinc/13/65/05/1126136505.db2.gz INKGZAATZJHIEZ-FQEVSTJZSA-N 0 1 387.505 3.106 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000931602823 1126136560 /nfs/dbraw/zinc/13/65/60/1126136560.db2.gz INKGZAATZJHIEZ-HXUWFJFHSA-N 0 1 387.505 3.106 20 0 GGADMN COc1ccc(-c2nc(CN[C@@](C)(CO)Cc3ccccc3OC)co2)cc1 ZINC000931607057 1126137532 /nfs/dbraw/zinc/13/75/32/1126137532.db2.gz LHYYFTKWWHDTNO-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2ncc(-c3ccccc3)o2)cc1OC ZINC000933443232 1126142493 /nfs/dbraw/zinc/14/24/93/1126142493.db2.gz NKOSUVTVYVIEIW-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc(Cl)ccc2Cl)cc1OC ZINC000933444931 1126142989 /nfs/dbraw/zinc/14/29/89/1126142989.db2.gz LCGMSLVEIQXQLW-SFHVURJKSA-N 0 1 385.291 3.489 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc(-c3ccccc3)c[nH]2)cc1OC ZINC001335949056 1126180318 /nfs/dbraw/zinc/18/03/18/1126180318.db2.gz JSDSSMLTCBTJPM-QFIPXVFZSA-N 0 1 381.476 3.177 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ccn(-c3cccc(F)c3)n2)cc1OC ZINC001460872203 1126193266 /nfs/dbraw/zinc/19/32/66/1126193266.db2.gz UMNCNSGUCXQWHC-QFIPXVFZSA-N 0 1 399.466 3.112 20 0 GGADMN OC[C@H](Cc1c[nH]c2ccccc12)NCc1ncc(Br)cc1F ZINC001461201955 1126193777 /nfs/dbraw/zinc/19/37/77/1126193777.db2.gz ILCODTGQJMLGPA-ZDUSSCGKSA-N 0 1 378.245 3.158 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc3c(s2)C[C@@H](C)CC3)cc1OC ZINC001461735606 1126196929 /nfs/dbraw/zinc/19/69/29/1126196929.db2.gz NOPSQBMJELNOSI-LHSJRXKWSA-N 0 1 390.549 3.368 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccc(C)c(C)c2)cc1O ZINC001474566832 1126204827 /nfs/dbraw/zinc/20/48/27/1126204827.db2.gz VYSOPPALVZHDLB-MRXNPFEDSA-N 0 1 394.309 3.473 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC001560102134 1126208055 /nfs/dbraw/zinc/20/80/55/1126208055.db2.gz FNADDEQQSRGLHO-DEOSSOPVSA-N 0 1 391.515 3.453 20 0 GGADMN Cc1ccc(C[C@@H](CO)NCc2cn(-c3ccc(F)cc3Cl)nn2)cc1C ZINC001651173678 1126252710 /nfs/dbraw/zinc/25/27/10/1126252710.db2.gz NDPKXSAVHXVJPX-KRWDZBQOSA-N 0 1 388.874 3.370 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1sc(N2CCCC2)nc1Cl ZINC001652904903 1126253756 /nfs/dbraw/zinc/25/37/56/1126253756.db2.gz QTGBXIXQTHHLIF-IBGZPJMESA-N 0 1 395.956 3.489 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC001654935704 1126254451 /nfs/dbraw/zinc/25/44/51/1126254451.db2.gz JQAMEQUBHRRHPJ-OAQYLSRUSA-N 0 1 387.430 3.242 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ccn(-c3ccccc3F)n2)cc1OC ZINC001655740290 1126256317 /nfs/dbraw/zinc/25/63/17/1126256317.db2.gz PSNDDYHDIMHQRG-QFIPXVFZSA-N 0 1 399.466 3.112 20 0 GGADMN O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1F ZINC000018992343 210221914 /nfs/dbraw/zinc/22/19/14/210221914.db2.gz ZEPKZTWCAUHSRK-INIZCTEOSA-N 0 1 396.399 3.350 20 0 GGADMN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000016002650 210182181 /nfs/dbraw/zinc/18/21/81/210182181.db2.gz CXPNVVKXZTUHAH-UHFFFAOYSA-N 0 1 387.867 3.131 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000015734903 210167975 /nfs/dbraw/zinc/16/79/75/210167975.db2.gz LWYRJCXLLOCYFR-UHFFFAOYSA-N 0 1 388.489 3.368 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)n[nH]2)cc1C ZINC000015680698 210162255 /nfs/dbraw/zinc/16/22/55/210162255.db2.gz MGKUNFFJHCGOTB-UHFFFAOYSA-N 0 1 394.500 3.353 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@H]1c1cccs1)CC2 ZINC000015301618 210156881 /nfs/dbraw/zinc/15/68/81/210156881.db2.gz IQCMYVGIEMSHMD-KRWDZBQOSA-N 0 1 386.517 3.487 20 0 GGADMN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043353 210144614 /nfs/dbraw/zinc/14/46/14/210144614.db2.gz BNNKEGUIZKOYTA-KRWDZBQOSA-N 0 1 399.535 3.438 20 0 GGADMN COc1ccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)cc1OC ZINC000014264001 210114701 /nfs/dbraw/zinc/11/47/01/210114701.db2.gz NAKZMZQVJDARHD-UHFFFAOYSA-N 0 1 381.388 3.117 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2NC1=O ZINC000014171730 210108109 /nfs/dbraw/zinc/10/81/09/210108109.db2.gz DNQIYHSHUJTTSB-WMLDXEAASA-N 0 1 381.501 3.124 20 0 GGADMN CC(=O)NCCc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000014109789 210103089 /nfs/dbraw/zinc/10/30/89/210103089.db2.gz PHXJYGYFHZFHQP-UHFFFAOYSA-N 0 1 394.500 3.434 20 0 GGADMN O=C(CCc1ncc(-c2ccccc2)o1)NCC1(N2CCOCC2)CCCCC1 ZINC000013008813 210045520 /nfs/dbraw/zinc/04/55/20/210045520.db2.gz XEZPDZUKPALLTI-UHFFFAOYSA-N 0 1 397.519 3.426 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000013003948 210046445 /nfs/dbraw/zinc/04/64/45/210046445.db2.gz QBHPIPVWFGFVFH-GOSISDBHSA-N 0 1 391.512 3.120 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(F)c1 ZINC000012996725 210044560 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ZINC000115941108 564201078 /nfs/dbraw/zinc/20/10/78/564201078.db2.gz UAQVPRIXKMCSKP-JTQLQIEISA-N 0 1 383.315 3.144 20 0 GGADMN C[NH+](C)CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(C)(C)C ZINC000116372430 564208513 /nfs/dbraw/zinc/20/85/13/564208513.db2.gz ZBOWOTRPLNPUNA-NSHDSACASA-N 0 1 383.377 3.155 20 0 GGADMN COC(=O)c1sccc1NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000116523360 564211301 /nfs/dbraw/zinc/21/13/01/564211301.db2.gz ISLVEOKVAXGHFU-UHFFFAOYSA-N 0 1 376.503 3.336 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCCCc1ccc(Br)cc1F ZINC000116519122 564211365 /nfs/dbraw/zinc/21/13/65/564211365.db2.gz DXWDWCCUBRXODJ-UHFFFAOYSA-N 0 1 397.292 3.484 20 0 GGADMN CCn1cc(Br)cc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000116611890 564213140 /nfs/dbraw/zinc/21/31/40/564213140.db2.gz MQHTZRCVQOJGOA-UHFFFAOYSA-N 0 1 391.313 3.060 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2C)c(Cl)c1 ZINC000116711385 564214935 /nfs/dbraw/zinc/21/49/35/564214935.db2.gz CCVHBZCQOVVVBC-UHFFFAOYSA-N 0 1 387.910 3.302 20 0 GGADMN COc1ccccc1Nc1nnc(SCCN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000539271452 564215056 /nfs/dbraw/zinc/21/50/56/564215056.db2.gz CAAHZVNQTNLGIO-BETUJISGSA-N 0 1 378.523 3.246 20 0 GGADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000116712182 564215096 /nfs/dbraw/zinc/21/50/96/564215096.db2.gz WYJCSLQAAKFLLV-JOCHJYFZSA-N 0 1 375.874 3.467 20 0 GGADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1)C(C)C ZINC000116710222 564215207 /nfs/dbraw/zinc/21/52/07/564215207.db2.gz FSAUGNGYLDCCGM-UHFFFAOYSA-N 0 1 381.885 3.293 20 0 GGADMN CN1CC[N@@H+](C)C[C@@H]1CNc1ccc2c(Br)ccc(Cl)c2n1 ZINC000539399754 564219382 /nfs/dbraw/zinc/21/93/82/564219382.db2.gz YQKUVILJOCJWRO-NSHDSACASA-N 0 1 383.721 3.308 20 0 GGADMN CN1CCN(C)[C@@H](CNc2ccc3c(Br)ccc(Cl)c3n2)C1 ZINC000539399754 564219388 /nfs/dbraw/zinc/21/93/88/564219388.db2.gz YQKUVILJOCJWRO-NSHDSACASA-N 0 1 383.721 3.308 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(NCc3nc(C)cs3)CC2)cc1 ZINC000117384225 564226504 /nfs/dbraw/zinc/22/65/04/564226504.db2.gz GRACFONFOBLKLV-UHFFFAOYSA-N 0 1 379.551 3.004 20 0 GGADMN Cc1nc(CN2CCN(CC/C=C/c3ccc(Br)cc3)CC2)no1 ZINC000117341446 564226657 /nfs/dbraw/zinc/22/66/57/564226657.db2.gz UQKBITOMKLHYNQ-DUXPYHPUSA-N 0 1 391.313 3.362 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1 ZINC000007060370 564231706 /nfs/dbraw/zinc/23/17/06/564231706.db2.gz XWXFBUIQMSQBAQ-UHFFFAOYSA-N 0 1 382.869 3.384 20 0 GGADMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc(C)c1 ZINC000007052666 564232193 /nfs/dbraw/zinc/23/21/93/564232193.db2.gz FHAPVMQWEXKUIR-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000007053420 564232199 /nfs/dbraw/zinc/23/21/99/564232199.db2.gz LBNRVSTVCJGEPS-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN NC(=O)CCN(CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000117871692 564234100 /nfs/dbraw/zinc/23/41/00/564234100.db2.gz RQWAFVFGXPHEHC-RUZDIDTESA-N 0 1 399.343 3.479 20 0 GGADMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NC1CCCC1 ZINC000007252310 564234500 /nfs/dbraw/zinc/23/45/00/564234500.db2.gz PCGUGXOAFSSKDY-UHFFFAOYSA-N 0 1 381.299 3.385 20 0 GGADMN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000118301388 564238892 /nfs/dbraw/zinc/23/88/92/564238892.db2.gz OLPKDVPOJNSXOJ-UHFFFAOYSA-N 0 1 389.277 3.145 20 0 GGADMN CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000007628582 564239086 /nfs/dbraw/zinc/23/90/86/564239086.db2.gz KPNAPOFOOKTSML-JTQLQIEISA-N 0 1 383.315 3.487 20 0 GGADMN CC(C)(CNCc1cccc(O)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455139 564240320 /nfs/dbraw/zinc/24/03/20/564240320.db2.gz RVOXZZWWXXLEMM-UHFFFAOYSA-N 0 1 398.322 3.497 20 0 GGADMN Cc1ncccc1CNCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455137 564241002 /nfs/dbraw/zinc/24/10/02/564241002.db2.gz CSNTUGQLNJLYSC-UHFFFAOYSA-N 0 1 397.338 3.495 20 0 GGADMN O=C(Nc1ccccc1Br)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118786615 564246106 /nfs/dbraw/zinc/24/61/06/564246106.db2.gz LQXLZTTVLMTYDJ-CQSZACIVSA-N 0 1 382.302 3.025 20 0 GGADMN CN(CCOc1ccc(Br)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000008153549 564246333 /nfs/dbraw/zinc/24/63/33/564246333.db2.gz CIIOLQMBBRTTLU-UHFFFAOYSA-N 0 1 394.294 3.029 20 0 GGADMN O=C(Nc1cccc(Br)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118786818 564246382 /nfs/dbraw/zinc/24/63/82/564246382.db2.gz DVFHCGOADOMFHN-CQSZACIVSA-N 0 1 382.302 3.025 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)ccc1Br ZINC000118789948 564246460 /nfs/dbraw/zinc/24/64/60/564246460.db2.gz YWXTZWHXHFEOLI-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN O=C(Nc1ccccc1Br)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118786617 564246524 /nfs/dbraw/zinc/24/65/24/564246524.db2.gz LQXLZTTVLMTYDJ-AWEZNQCLSA-N 0 1 382.302 3.025 20 0 GGADMN O=C(CN(CCCCO)C1CC1)Nc1ccc(Br)cc1Cl ZINC000118844534 564246901 /nfs/dbraw/zinc/24/69/01/564246901.db2.gz VSZVNYGPLKLKTR-UHFFFAOYSA-N 0 1 375.694 3.278 20 0 GGADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Cl)c1 ZINC000008286724 564247968 /nfs/dbraw/zinc/24/79/68/564247968.db2.gz RXWZKYKRYFLZCK-UHFFFAOYSA-N 0 1 395.214 3.189 20 0 GGADMN COc1cc(Br)ccc1CCCNC(=O)CCCCc1cn[nH]n1 ZINC000119039521 564252124 /nfs/dbraw/zinc/25/21/24/564252124.db2.gz GFMPOUNAFBFHCV-UHFFFAOYSA-N 0 1 395.301 3.038 20 0 GGADMN C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(Cl)s1 ZINC000119057815 564253306 /nfs/dbraw/zinc/25/33/06/564253306.db2.gz OPLRXMWRLAVODP-LBPRGKRZSA-N 0 1 378.929 3.349 20 0 GGADMN CS[C@@H](C)CNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000119243555 564260887 /nfs/dbraw/zinc/26/08/87/564260887.db2.gz ALDMAPIJCJNCJS-WFASDCNBSA-N 0 1 375.460 3.330 20 0 GGADMN Cc1nc2ccc(NC(=O)CNC(=O)c3cccc(Br)c3)cc2[nH]1 ZINC000010896460 564261199 /nfs/dbraw/zinc/26/11/99/564261199.db2.gz OQTOWMCZKLTAMZ-UHFFFAOYSA-N 0 1 387.237 3.002 20 0 GGADMN CS[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000119243467 564261155 /nfs/dbraw/zinc/26/11/55/564261155.db2.gz ALDMAPIJCJNCJS-IUODEOHRSA-N 0 1 375.460 3.330 20 0 GGADMN CCc1nc2c(s1)[C@H](N(C)C(=O)CSc1n[nH]c(=S)s1)CCC2 ZINC000119228442 564261350 /nfs/dbraw/zinc/26/13/50/564261350.db2.gz ACZGILJOWYLXIK-SECBINFHSA-N 0 1 386.593 3.474 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2ccc(F)c(I)c2)c1 ZINC000119246738 564261672 /nfs/dbraw/zinc/26/16/72/564261672.db2.gz YMBVUKJOECTWBG-UHFFFAOYSA-N 0 1 399.207 3.139 20 0 GGADMN OC[C@@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1cccc(Cl)c1F ZINC000540974289 564261990 /nfs/dbraw/zinc/26/19/90/564261990.db2.gz XGKYKXRYTMWJTL-MRVPVSSYSA-N 0 1 375.713 3.310 20 0 GGADMN O=C(c1c(O)cccc1F)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000119247319 564262220 /nfs/dbraw/zinc/26/22/20/564262220.db2.gz HGUCTADJMUNEOZ-UHFFFAOYSA-N 0 1 399.285 3.313 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000011533134 564263539 /nfs/dbraw/zinc/26/35/39/564263539.db2.gz ZEFGNNMMJNXRHL-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN CN1C(=O)COc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000011908306 564266403 /nfs/dbraw/zinc/26/64/03/564266403.db2.gz XHAFOZKDZUJDHS-UHFFFAOYSA-N 0 1 387.244 3.149 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000119359395 564267195 /nfs/dbraw/zinc/26/71/95/564267195.db2.gz IHDSSWHMIKNBJR-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000012525868 564267917 /nfs/dbraw/zinc/26/79/17/564267917.db2.gz ZKENJXLKQABCOC-UHFFFAOYSA-N 0 1 375.324 3.157 20 0 GGADMN O=C1CCCN1c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000012552491 564269070 /nfs/dbraw/zinc/26/90/70/564269070.db2.gz ITTSHNKRCKIPAS-UHFFFAOYSA-N 0 1 395.278 3.377 20 0 GGADMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000012630761 564269168 /nfs/dbraw/zinc/26/91/68/564269168.db2.gz VRJWFUPBFULPFK-UHFFFAOYSA-N 0 1 380.882 3.421 20 0 GGADMN O=C(CSc1cccc(Br)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000119427377 564270085 /nfs/dbraw/zinc/27/00/85/564270085.db2.gz VBIMSMFLILWNPL-UHFFFAOYSA-N 0 1 381.299 3.066 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c1 ZINC000012737330 564270288 /nfs/dbraw/zinc/27/02/88/564270288.db2.gz NAGXKVXSTRBXCO-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN NC(=O)C1(CNCc2sc(Sc3ccccc3)nc2Cl)CCOCC1 ZINC000119490859 564273359 /nfs/dbraw/zinc/27/33/59/564273359.db2.gz NHRQCPVHCRAHCR-UHFFFAOYSA-N 0 1 397.953 3.319 20 0 GGADMN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000013849433 564278567 /nfs/dbraw/zinc/27/85/67/564278567.db2.gz PGPQPRXZKJRBIC-UHFFFAOYSA-N 0 1 387.288 3.425 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(OCC(F)(F)F)cc1 ZINC000119643528 564280804 /nfs/dbraw/zinc/28/08/04/564280804.db2.gz ULJBDTANBSRNDM-TZMCWYRMSA-N 0 1 376.444 3.242 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(OCC(F)F)n2)cc1Cl ZINC000119652884 564281757 /nfs/dbraw/zinc/28/17/57/564281757.db2.gz LYWJKHIOJUBYAN-UHFFFAOYSA-N 0 1 378.784 3.188 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000014520457 564282716 /nfs/dbraw/zinc/28/27/16/564282716.db2.gz KMHNFFHVYFKLOV-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000016639850 564294942 /nfs/dbraw/zinc/29/49/42/564294942.db2.gz MGVDBEOGNCPLCD-UHFFFAOYSA-N 0 1 382.869 3.289 20 0 GGADMN CCC[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCO1 ZINC000119960059 564296900 /nfs/dbraw/zinc/29/69/00/564296900.db2.gz XDYMYGNVNUFLSG-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000016963967 564296981 /nfs/dbraw/zinc/29/69/81/564296981.db2.gz FYDRUIOUWJJKSR-UHFFFAOYSA-N 0 1 388.225 3.280 20 0 GGADMN COc1cc(Br)c(S(=O)(=O)Nc2cccc(F)c2)cc1OC ZINC000017319662 564297935 /nfs/dbraw/zinc/29/79/35/564297935.db2.gz UVLZGROHTXNSOT-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1F ZINC000119965606 564297925 /nfs/dbraw/zinc/29/79/25/564297925.db2.gz LFNWMGNOKJJOFH-HNNXBMFYSA-N 0 1 382.526 3.386 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccnc1Br ZINC000120028683 564301129 /nfs/dbraw/zinc/30/11/29/564301129.db2.gz AWASMSJQGZKYGK-ZDUSSCGKSA-N 0 1 379.258 3.396 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCCn2c(C)csc2=O)n1 ZINC000018542340 564301992 /nfs/dbraw/zinc/30/19/92/564301992.db2.gz ALACUVKLJYXTEK-UHFFFAOYSA-N 0 1 382.898 3.458 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)c(O)c2)c1 ZINC000120064639 564302897 /nfs/dbraw/zinc/30/28/97/564302897.db2.gz GDPGLIHXLQALMM-JTQLQIEISA-N 0 1 393.237 3.380 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2nc(Br)cs2)CC1 ZINC000120199257 564308632 /nfs/dbraw/zinc/30/86/32/564308632.db2.gz UIFAHYRHPNXQKW-NSHDSACASA-N 0 1 395.326 3.256 20 0 GGADMN COCC(C)(C)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000120204123 564308880 /nfs/dbraw/zinc/30/88/80/564308880.db2.gz SSJHLCJDTOYMAS-UHFFFAOYSA-N 0 1 386.470 3.299 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cncc(Br)c1 ZINC000021319073 564309807 /nfs/dbraw/zinc/30/98/07/564309807.db2.gz SAZMWEOMCRTJKM-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000120221825 564310102 /nfs/dbraw/zinc/31/01/02/564310102.db2.gz VHWJQQHKDJEOKX-CCHLGUQTSA-N 0 1 379.547 3.245 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2Br)o1 ZINC000120330088 564315939 /nfs/dbraw/zinc/31/59/39/564315939.db2.gz XCMDHFCOZRGDSY-UHFFFAOYSA-N 0 1 388.239 3.328 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000022312964 564316164 /nfs/dbraw/zinc/31/61/64/564316164.db2.gz BMBQSFKUPKGALG-SNVBAGLBSA-N 0 1 381.889 3.088 20 0 GGADMN CN(Cc1nc(Cc2cccc(Br)c2)no1)C1CCC(CO)CC1 ZINC000120350292 564316724 /nfs/dbraw/zinc/31/67/24/564316724.db2.gz DQHZYXPHSFHRRK-UHFFFAOYSA-N 0 1 394.313 3.406 20 0 GGADMN CCN1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000022817211 564320457 /nfs/dbraw/zinc/32/04/57/564320457.db2.gz LRVJAFDEKDYOPM-UHFFFAOYSA-N 0 1 394.235 3.044 20 0 GGADMN Cn1ccnc1[C@H](O)C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000120504798 564322605 /nfs/dbraw/zinc/32/26/05/564322605.db2.gz DJZALGATTNLZKM-IAGOWNOFSA-N 0 1 384.307 3.206 20 0 GGADMN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000023308118 564323305 /nfs/dbraw/zinc/32/33/05/564323305.db2.gz KZMLBGPEBDNERX-UHFFFAOYSA-N 0 1 382.869 3.376 20 0 GGADMN COc1ccsc1S(=O)(=O)Nc1ccccc1I ZINC000120517487 564324185 /nfs/dbraw/zinc/32/41/85/564324185.db2.gz ZQIUMSDZCJSZMM-UHFFFAOYSA-N 0 1 395.243 3.162 20 0 GGADMN O=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1c(F)cccc1F ZINC000023440870 564324179 /nfs/dbraw/zinc/32/41/79/564324179.db2.gz ZUGKATAGAKHWIB-UHFFFAOYSA-N 0 1 381.322 3.384 20 0 GGADMN Cc1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1Br ZINC000120590601 564327668 /nfs/dbraw/zinc/32/76/68/564327668.db2.gz LQXIBMROLUVESE-UHFFFAOYSA-N 0 1 382.302 3.086 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000024152938 564328908 /nfs/dbraw/zinc/32/89/08/564328908.db2.gz YXJIQWFWLMPRAX-UHFFFAOYSA-N 0 1 384.251 3.201 20 0 GGADMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC(=O)NCC(F)(F)F ZINC000024599454 564331644 /nfs/dbraw/zinc/33/16/44/564331644.db2.gz WBSGYKRREPCWJO-LURJTMIESA-N 0 1 380.779 3.085 20 0 GGADMN c1ccc(CCNc2nnc(SCCN3C[C@H]4CC[C@@H](C3)O4)s2)cc1 ZINC000542933845 564332267 /nfs/dbraw/zinc/33/22/67/564332267.db2.gz ZHVQZTJIYQOMFM-IYBDPMFKSA-N 0 1 376.551 3.148 20 0 GGADMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NCC(F)(F)F ZINC000025257044 564336730 /nfs/dbraw/zinc/33/67/30/564336730.db2.gz HAODPFOTLRYMRG-LDYMZIIASA-N 0 1 395.834 3.243 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2NC1=O ZINC000025328865 564337598 /nfs/dbraw/zinc/33/75/98/564337598.db2.gz QVQSHMVETHEBDZ-XHDPSFHLSA-N 0 1 375.519 3.214 20 0 GGADMN CC(C)(CNC(=O)c1cc(Br)c[nH]1)N1CCc2ccccc2C1 ZINC000025462882 564338620 /nfs/dbraw/zinc/33/86/20/564338620.db2.gz VMDBVBSPFRXPFB-UHFFFAOYSA-N 0 1 376.298 3.344 20 0 GGADMN Cc1cc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)on1 ZINC000120840807 564340065 /nfs/dbraw/zinc/34/00/65/564340065.db2.gz IGSSAMSRTRPZQD-UHFFFAOYSA-N 0 1 394.254 3.261 20 0 GGADMN CSc1nc(C)c(CCC(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1 ZINC000025812676 564341675 /nfs/dbraw/zinc/34/16/75/564341675.db2.gz RYXFGZJIVYXFKS-MRXNPFEDSA-N 0 1 378.567 3.229 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000121013043 564348015 /nfs/dbraw/zinc/34/80/15/564348015.db2.gz OMFZXZXPUDJFMQ-CYBMUJFWSA-N 0 1 377.897 3.225 20 0 GGADMN C[C@@H]1CN(CCCNc2ncnc3cc(F)c(Br)cc32)C[C@H](C)O1 ZINC000543398395 564349903 /nfs/dbraw/zinc/34/99/03/564349903.db2.gz PUTOHUXFQDZPTM-TXEJJXNPSA-N 0 1 397.292 3.443 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000026885572 564352029 /nfs/dbraw/zinc/35/20/29/564352029.db2.gz HQEMQDOYKACKKR-UHFFFAOYSA-N 0 1 389.359 3.300 20 0 GGADMN CC(C)CCN(CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000027110902 564352619 /nfs/dbraw/zinc/35/26/19/564352619.db2.gz UXGLZSXZEPIRMR-UHFFFAOYSA-N 0 1 396.329 3.014 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1OC ZINC000121129929 564355260 /nfs/dbraw/zinc/35/52/60/564355260.db2.gz QCSCJCFDMJBDLQ-UHFFFAOYSA-N 0 1 376.356 3.227 20 0 GGADMN C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000121136074 564355309 /nfs/dbraw/zinc/35/53/09/564355309.db2.gz JJUADNZYDAVPMJ-AWEZNQCLSA-N 0 1 378.929 3.186 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccs1 ZINC000027675808 564355701 /nfs/dbraw/zinc/35/57/01/564355701.db2.gz FEDKDONCHZATBU-AWEZNQCLSA-N 0 1 375.519 3.215 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000121158316 564356148 /nfs/dbraw/zinc/35/61/48/564356148.db2.gz FZMUZMGJPVBEOC-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCc1cnc2ccc(Br)cn12 ZINC000121197970 564359322 /nfs/dbraw/zinc/35/93/22/564359322.db2.gz MJXAORJEKDFHCO-UHFFFAOYSA-N 0 1 381.318 3.127 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c(Br)c1 ZINC000028242386 564360503 /nfs/dbraw/zinc/36/05/03/564360503.db2.gz VNHCRSHTJQNWQD-UHFFFAOYSA-N 0 1 397.294 3.260 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1-n1cnnn1 ZINC000028261020 564361749 /nfs/dbraw/zinc/36/17/49/564361749.db2.gz KLIJSBXHVNGHEP-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)c(Br)c1 ZINC000028246482 564361755 /nfs/dbraw/zinc/36/17/55/564361755.db2.gz PRBMUNFYSQVNOH-UHFFFAOYSA-N 0 1 384.251 3.427 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(Br)cc2)n[nH]1 ZINC000543761233 564362645 /nfs/dbraw/zinc/36/26/45/564362645.db2.gz AXSOYYGTPVFKMR-JTQLQIEISA-N 0 1 380.242 3.166 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCCN1CCCCC1 ZINC000121317177 564363500 /nfs/dbraw/zinc/36/35/00/564363500.db2.gz ZJMZRXKQNYNZTF-UHFFFAOYSA-N 0 1 396.329 3.113 20 0 GGADMN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000028681135 564363776 /nfs/dbraw/zinc/36/37/76/564363776.db2.gz PVNMPQXAEDRGSN-UHFFFAOYSA-N 0 1 395.278 3.142 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCC(=O)c2ccc(C)s2)c1 ZINC000028813495 564364980 /nfs/dbraw/zinc/36/49/80/564364980.db2.gz XHTSZKHNSTWJLM-UHFFFAOYSA-N 0 1 381.475 3.157 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000121352918 564365676 /nfs/dbraw/zinc/36/56/76/564365676.db2.gz FFGBBLGAGRUPOV-ARFHVFGLSA-N 0 1 397.357 3.243 20 0 GGADMN Cc1noc(C)c1CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000028901510 564365721 /nfs/dbraw/zinc/36/57/21/564365721.db2.gz GCQXZZCVCMWAJY-UHFFFAOYSA-N 0 1 376.214 3.020 20 0 GGADMN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000029816978 564373753 /nfs/dbraw/zinc/37/37/53/564373753.db2.gz CGLQDIRREMIEIR-UHFFFAOYSA-N 0 1 379.243 3.297 20 0 GGADMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000121594204 564376491 /nfs/dbraw/zinc/37/64/91/564376491.db2.gz CILWLGJEKJQWQI-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN CC(C)c1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000030431886 564380783 /nfs/dbraw/zinc/38/07/83/564380783.db2.gz GPWFIJVLPFGCTB-UHFFFAOYSA-N 0 1 382.595 3.450 20 0 GGADMN COc1ccc(-n2ccc(CN[C@@H](C)Cn3cc(Br)cn3)n2)cc1 ZINC000121714501 564382309 /nfs/dbraw/zinc/38/23/09/564382309.db2.gz OXPSYTYFTCVDHP-ZDUSSCGKSA-N 0 1 390.285 3.018 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121752357 564384419 /nfs/dbraw/zinc/38/44/19/564384419.db2.gz NKVGZOPWHTZLSX-GASCZTMLSA-N 0 1 383.330 3.295 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121752357 564384421 /nfs/dbraw/zinc/38/44/21/564384421.db2.gz NKVGZOPWHTZLSX-GASCZTMLSA-N 0 1 383.330 3.295 20 0 GGADMN CSc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000121876179 564390343 /nfs/dbraw/zinc/39/03/43/564390343.db2.gz FIJPLPRBGFSWPS-GFCCVEGCSA-N 0 1 390.380 3.329 20 0 GGADMN COC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)n1 ZINC000031761707 564392730 /nfs/dbraw/zinc/39/27/30/564392730.db2.gz NWMDVVBXXLOVIS-UHFFFAOYSA-N 0 1 376.825 3.154 20 0 GGADMN COc1cccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)c1OC ZINC000031819306 564393841 /nfs/dbraw/zinc/39/38/41/564393841.db2.gz MKBJROFWBCTTFF-UHFFFAOYSA-N 0 1 375.479 3.074 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000032094680 564396458 /nfs/dbraw/zinc/39/64/58/564396458.db2.gz QCGBISHZGHRQTF-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000032270557 564396668 /nfs/dbraw/zinc/39/66/68/564396668.db2.gz SNXLNMHJXMRJTN-ZDUSSCGKSA-N 0 1 389.721 3.189 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c1Cl ZINC000032096963 564396800 /nfs/dbraw/zinc/39/68/00/564396800.db2.gz AUEMWEFYNAHWPB-UHFFFAOYSA-N 0 1 387.288 3.439 20 0 GGADMN CCc1nc(C)c([C@@H](C)N(C)CC2=Nc3ccccc3S(=O)(=O)N2)s1 ZINC000122061058 564398112 /nfs/dbraw/zinc/39/81/12/564398112.db2.gz QPURQXXGVXSJKQ-GFCCVEGCSA-N 0 1 378.523 3.029 20 0 GGADMN CCC[C@](C)(O)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000122047617 564398650 /nfs/dbraw/zinc/39/86/50/564398650.db2.gz IRPBGZSJJQHILW-INIZCTEOSA-N 0 1 386.470 3.178 20 0 GGADMN O=S(=O)(NCCCN1CCc2ccccc2C1)c1cccc(Cl)c1F ZINC000032433775 564399724 /nfs/dbraw/zinc/39/97/24/564399724.db2.gz XLKSOVHALADLQA-UHFFFAOYSA-N 0 1 382.888 3.206 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1Cl ZINC000032588725 564402114 /nfs/dbraw/zinc/40/21/14/564402114.db2.gz FMUZHXLMBLGGLX-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2Br)c1C ZINC000032632035 564403476 /nfs/dbraw/zinc/40/34/76/564403476.db2.gz CADRMXMJKGBHIC-UHFFFAOYSA-N 0 1 397.294 3.226 20 0 GGADMN O=S(=O)(NCCNCc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000122200764 564404362 /nfs/dbraw/zinc/40/43/62/564404362.db2.gz JKQBRFCLOGTOOA-UHFFFAOYSA-N 0 1 396.868 3.071 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000032732586 564405131 /nfs/dbraw/zinc/40/51/31/564405131.db2.gz IQDMOBHHWJEIPM-QGZVFWFLSA-N 0 1 395.272 3.386 20 0 GGADMN O=S(=O)(NCCNCc1cnc(-c2cccs2)s1)c1cccs1 ZINC000122227709 564405342 /nfs/dbraw/zinc/40/53/42/564405342.db2.gz AHWSBLNJXYISJU-UHFFFAOYSA-N 0 1 385.561 3.001 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000032791451 564405661 /nfs/dbraw/zinc/40/56/61/564405661.db2.gz KPGIWIALTSHGNK-VXGBXAGGSA-N 0 1 390.281 3.226 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000033242833 564413013 /nfs/dbraw/zinc/41/30/13/564413013.db2.gz SEBFPASTQWVXDS-MGPQQGTHSA-N 0 1 389.323 3.376 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccccc2)cc1OC ZINC000034134644 564414297 /nfs/dbraw/zinc/41/42/97/564414297.db2.gz VDQGDCDXQUFKEO-OAHLLOKOSA-N 0 1 380.282 3.160 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000122446198 564414545 /nfs/dbraw/zinc/41/45/45/564414545.db2.gz VFMYJDOCGFNYCQ-GFCCVEGCSA-N 0 1 393.372 3.068 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000122445982 564414559 /nfs/dbraw/zinc/41/45/59/564414559.db2.gz VFMYJDOCGFNYCQ-LBPRGKRZSA-N 0 1 393.372 3.068 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1C[C@H]2CCC[C@@H]2C1 ZINC000122487390 564416166 /nfs/dbraw/zinc/41/61/66/564416166.db2.gz JEKDDLHJARPPKH-CHWSQXEVSA-N 0 1 390.285 3.176 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000122487390 564416171 /nfs/dbraw/zinc/41/61/71/564416171.db2.gz JEKDDLHJARPPKH-CHWSQXEVSA-N 0 1 390.285 3.176 20 0 GGADMN CN1C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1=O ZINC000035685659 564416359 /nfs/dbraw/zinc/41/63/59/564416359.db2.gz JUFPGIZLDQXAMN-UHFFFAOYSA-N 0 1 385.228 3.020 20 0 GGADMN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCC(CN2CCOCC2)CC1 ZINC000036190553 564416494 /nfs/dbraw/zinc/41/64/94/564416494.db2.gz CINIUSUGVCVACW-UHFFFAOYSA-N 0 1 385.335 3.497 20 0 GGADMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1c(C)n[nH]c1C ZINC000036736338 564418390 /nfs/dbraw/zinc/41/83/90/564418390.db2.gz BAFQYGPCPJLBAB-UHFFFAOYSA-N 0 1 394.678 3.252 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000037599207 564421707 /nfs/dbraw/zinc/42/17/07/564421707.db2.gz ROVOJXQFAJQXPD-VIFPVBQESA-N 0 1 377.666 3.226 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000037599207 564421710 /nfs/dbraw/zinc/42/17/10/564421710.db2.gz ROVOJXQFAJQXPD-VIFPVBQESA-N 0 1 377.666 3.226 20 0 GGADMN O=S(=O)(Nc1ccncc1)c1ccc(Br)cc1Br ZINC000037574531 564422134 /nfs/dbraw/zinc/42/21/34/564422134.db2.gz WGNPPGZTRZQJSE-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN O=S(=O)([N-]c1cc[nH+]cc1)c1ccc(Br)cc1Br ZINC000037574531 564422136 /nfs/dbraw/zinc/42/21/36/564422136.db2.gz WGNPPGZTRZQJSE-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN CCCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000122675310 564423372 /nfs/dbraw/zinc/42/33/72/564423372.db2.gz ROVKNYGMGIXWMC-UHFFFAOYSA-N 0 1 391.280 3.266 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C ZINC000122729187 564424597 /nfs/dbraw/zinc/42/45/97/564424597.db2.gz LHORAKONTKHIDC-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000122748385 564425603 /nfs/dbraw/zinc/42/56/03/564425603.db2.gz ANDXSYHCEUHONA-INIZCTEOSA-N 0 1 391.313 3.109 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000122797938 564428038 /nfs/dbraw/zinc/42/80/38/564428038.db2.gz MQMBNSVWNACEBJ-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1cc(CO)ccc1C ZINC000122891840 564431153 /nfs/dbraw/zinc/43/11/53/564431153.db2.gz KWJRGJZJLWEOOI-UHFFFAOYSA-N 0 1 376.297 3.421 20 0 GGADMN O=S1(=O)CC[C@H](NCc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000041886911 564439395 /nfs/dbraw/zinc/43/93/95/564439395.db2.gz 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DXLGJGVZTJJUSQ-CQSZACIVSA-N 0 1 375.270 3.090 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)n[nH]1 ZINC000481548400 564516167 /nfs/dbraw/zinc/51/61/67/564516167.db2.gz UPXCQNIOTNZLCP-QMMMGPOBSA-N 0 1 377.861 3.422 20 0 GGADMN Cc1noc(C)c1CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261980 564516341 /nfs/dbraw/zinc/51/63/41/564516341.db2.gz TYAYWYDWGOKEKZ-ZDUSSCGKSA-N 0 1 393.285 3.300 20 0 GGADMN CC[C@@H](CNC(=O)CSCc1cscn1)N1CCc2ccccc2C1 ZINC000125522020 564517452 /nfs/dbraw/zinc/51/74/52/564517452.db2.gz ZHEGSGPRQTWFQD-SFHVURJKSA-N 0 1 375.563 3.329 20 0 GGADMN COC(=O)c1ccc(CN(C)[C@H](CO)c2cccc(Br)c2)cc1 ZINC000125526542 564517478 /nfs/dbraw/zinc/51/74/78/564517478.db2.gz FJVCWJRKEMAAKD-QGZVFWFLSA-N 0 1 378.266 3.401 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000047328648 564517873 /nfs/dbraw/zinc/51/78/73/564517873.db2.gz LAQJXTPHOBSINK-UHFFFAOYSA-N 0 1 384.816 3.173 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000047434602 564520482 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0 1 384.958 3.483 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c(Cl)c1 ZINC000126013377 564534109 /nfs/dbraw/zinc/53/41/09/564534109.db2.gz FPMLMBCLVMGALQ-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN C[C@H]1CNCCN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000126039979 564535006 /nfs/dbraw/zinc/53/50/06/564535006.db2.gz AFQWEDQPSGJRRS-AWEZNQCLSA-N 0 1 389.293 3.462 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCNC[C@@H]1C ZINC000126047576 564535253 /nfs/dbraw/zinc/53/52/53/564535253.db2.gz VRQQASUQAMHKRF-NSHDSACASA-N 0 1 381.307 3.159 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3ccc(Cl)c(Cl)c3)ccn2)CC1 ZINC000048329408 564536396 /nfs/dbraw/zinc/53/63/96/564536396.db2.gz MDPSNAQOMMABAU-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc(CN3CCOC3=O)c2)c(Cl)c1 ZINC000048326502 564536673 /nfs/dbraw/zinc/53/66/73/564536673.db2.gz MSEWZCGHKSYMON-UHFFFAOYSA-N 0 1 380.853 3.401 20 0 GGADMN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)n(C)n1 ZINC000126150502 564539212 /nfs/dbraw/zinc/53/92/12/564539212.db2.gz QUMGGPLTVHSGFO-UHFFFAOYSA-N 0 1 382.642 3.084 20 0 GGADMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000126243940 564541791 /nfs/dbraw/zinc/54/17/91/564541791.db2.gz GGNDAWNSINSUAY-PXAZEXFGSA-N 0 1 391.313 3.251 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000048742178 564544770 /nfs/dbraw/zinc/54/47/70/564544770.db2.gz YDBZHYFHQXAZBT-ZDUSSCGKSA-N 0 1 386.304 3.413 20 0 GGADMN Cc1ccc([C@@H](CNCc2cc(O)ccc2Br)N2CCOCC2)o1 ZINC000126309382 564545019 /nfs/dbraw/zinc/54/50/19/564545019.db2.gz UVIBMJLQGXQWQO-QGZVFWFLSA-N 0 1 395.297 3.219 20 0 GGADMN COc1ccc(Cl)cc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780644 564545361 /nfs/dbraw/zinc/54/53/61/564545361.db2.gz FNCHCXSHKDMRPS-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 ZINC000048742184 564545395 /nfs/dbraw/zinc/54/53/95/564545395.db2.gz ISBHGBKBYDYCMI-CYBMUJFWSA-N 0 1 386.304 3.413 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1cccs1 ZINC000048742370 564545524 /nfs/dbraw/zinc/54/55/24/564545524.db2.gz YSLNJAGJVJGABO-GFCCVEGCSA-N 0 1 386.304 3.413 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cncc(Br)c1 ZINC000126522847 564551568 /nfs/dbraw/zinc/55/15/68/564551568.db2.gz BXIOLLTZICGQMB-UHFFFAOYSA-N 0 1 375.270 3.024 20 0 GGADMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1I ZINC000126559630 564553050 /nfs/dbraw/zinc/55/30/50/564553050.db2.gz QQPAVJFJCUDMJB-LLVKDONJSA-N 0 1 392.306 3.303 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126593818 564554022 /nfs/dbraw/zinc/55/40/22/564554022.db2.gz XZVFRTSXNRAFDX-CHWSQXEVSA-N 0 1 384.237 3.371 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Br)ccc2OC(C)C)[nH]1 ZINC000126583669 564554296 /nfs/dbraw/zinc/55/42/96/564554296.db2.gz GAUNXFZKDJWOCL-UHFFFAOYSA-N 0 1 385.287 3.394 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Br)ccc2OC(C)C)n1 ZINC000126583669 564554300 /nfs/dbraw/zinc/55/43/00/564554300.db2.gz GAUNXFZKDJWOCL-UHFFFAOYSA-N 0 1 385.287 3.394 20 0 GGADMN CCOC(=O)CCN(Cc1cn2cc(Br)ccc2n1)CC1CC1 ZINC000050032660 564555257 /nfs/dbraw/zinc/55/52/57/564555257.db2.gz BDQXQMSTISEXQL-UHFFFAOYSA-N 0 1 380.286 3.262 20 0 GGADMN COCC[C@H](C)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000126622993 564556402 /nfs/dbraw/zinc/55/64/02/564556402.db2.gz NPOCPHNOQQONKP-ZDUSSCGKSA-N 0 1 382.507 3.012 20 0 GGADMN O=C(CCc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000126658277 564557328 /nfs/dbraw/zinc/55/73/28/564557328.db2.gz YYPINNOYMIQZLD-INIZCTEOSA-N 0 1 385.335 3.497 20 0 GGADMN COC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000050606009 564559319 /nfs/dbraw/zinc/55/93/19/564559319.db2.gz BWTHBGHKOIURJL-GFCCVEGCSA-N 0 1 392.253 3.007 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000126790614 564562920 /nfs/dbraw/zinc/56/29/20/564562920.db2.gz RFMZJZPEDJRRCA-CVEARBPZSA-N 0 1 379.287 3.359 20 0 GGADMN O=C(NCCc1nccs1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000051339259 564563856 /nfs/dbraw/zinc/56/38/56/564563856.db2.gz 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/nfs/dbraw/zinc/56/83/05/564568305.db2.gz QDOWLFFWOPBCNW-GOEBONIOSA-N 0 1 381.270 3.322 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)N2CCN(CC3CC3)CC2)c(Br)c1 ZINC000052165563 564568818 /nfs/dbraw/zinc/56/88/18/564568818.db2.gz KBIJOYJSPKQQJN-AWEZNQCLSA-N 0 1 380.330 3.112 20 0 GGADMN Brc1cccc(-c2noc(CN3CCN(CC4CC4)CC3)n2)c1 ZINC000052164724 564569405 /nfs/dbraw/zinc/56/94/05/564569405.db2.gz GULCFKKIMPNHLA-UHFFFAOYSA-N 0 1 377.286 3.027 20 0 GGADMN O=C(CCc1ccc(Cl)s1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127079576 564572280 /nfs/dbraw/zinc/57/22/80/564572280.db2.gz QDHUPGIOGSGUQM-CVEARBPZSA-N 0 1 378.925 3.086 20 0 GGADMN CCC[C@@H](CNC(=O)CN[C@](C)(CC)C(N)=O)c1ccc(Cl)cc1Cl ZINC000127196269 564576924 /nfs/dbraw/zinc/57/69/24/564576924.db2.gz QWDDOZKNTFAANW-KPZWWZAWSA-N 0 1 388.339 3.237 20 0 GGADMN CCCOc1c(Br)cc(CN(C)CCN2CCCC2=O)cc1OC ZINC000127265804 564578888 /nfs/dbraw/zinc/57/88/88/564578888.db2.gz XCTUMNGOZQOKGA-UHFFFAOYSA-N 0 1 399.329 3.301 20 0 GGADMN O[C@H](COC1CCOCC1)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000127392666 564582949 /nfs/dbraw/zinc/58/29/49/564582949.db2.gz KXLFJLHGRFEGEC-FUHWJXTLSA-N 0 1 384.314 3.143 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(Cl)cc2cccnc21 ZINC000053219606 564583180 /nfs/dbraw/zinc/58/31/80/564583180.db2.gz UGJMYGXRYAIQBB-QGZVFWFLSA-N 0 1 381.929 3.182 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCOC2(CCC2)C1 ZINC000127462210 564584633 /nfs/dbraw/zinc/58/46/33/564584633.db2.gz GMTDVQKYBADKLC-UHFFFAOYSA-N 0 1 376.254 3.234 20 0 GGADMN CC(C)[C@@H](N[C@H](C)c1ccc(Br)cc1F)C(=O)N1CCOCC1 ZINC000127579767 564589109 /nfs/dbraw/zinc/58/91/09/564589109.db2.gz XICHQXKNEDLREF-MLGOLLRUSA-N 0 1 387.293 3.122 20 0 GGADMN O=C(c1ccc(Br)cc1O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127652216 564590647 /nfs/dbraw/zinc/59/06/47/564590647.db2.gz HFGBXHDCUKCSAH-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127652216 564590651 /nfs/dbraw/zinc/59/06/51/564590651.db2.gz HFGBXHDCUKCSAH-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127652216 564590656 /nfs/dbraw/zinc/59/06/56/564590656.db2.gz HFGBXHDCUKCSAH-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN COc1cc(CN[C@H](C)C(N)=O)cc(Br)c1OCc1ccccc1 ZINC000053601834 564591291 /nfs/dbraw/zinc/59/12/91/564591291.db2.gz DRKZQTQOFMZDMS-GFCCVEGCSA-N 0 1 393.281 3.000 20 0 GGADMN CN(Cc1ccc(Br)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000127668981 564591696 /nfs/dbraw/zinc/59/16/96/564591696.db2.gz OBHLJUFHRNYPCA-CYBMUJFWSA-N 0 1 379.220 3.434 20 0 GGADMN COc1ccc(-c2nc(NC(=O)CSc3nnc(C)[nH]3)sc2C)cc1 ZINC000053674063 564593224 /nfs/dbraw/zinc/59/32/24/564593224.db2.gz LBGPKIIXAOHADH-UHFFFAOYSA-N 0 1 375.479 3.284 20 0 GGADMN COc1ccc(-c2nc(NC(=O)CSc3nc(C)n[nH]3)sc2C)cc1 ZINC000053674063 564593226 /nfs/dbraw/zinc/59/32/26/564593226.db2.gz LBGPKIIXAOHADH-UHFFFAOYSA-N 0 1 375.479 3.284 20 0 GGADMN COc1cccc2sc(NC(=O)CSc3nc(C(C)(C)C)n[nH]3)nc21 ZINC000053716497 564593921 /nfs/dbraw/zinc/59/39/21/564593921.db2.gz UCRFQCJBEVVURK-UHFFFAOYSA-N 0 1 377.495 3.451 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Br)cc1F ZINC000053990625 564596688 /nfs/dbraw/zinc/59/66/88/564596688.db2.gz ONPLJXALJULSRT-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(F)ccc1Br ZINC000053990602 564596707 /nfs/dbraw/zinc/59/67/07/564596707.db2.gz BFNYMBKUVZXJLV-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(Br)ccc1F ZINC000053990892 564596810 /nfs/dbraw/zinc/59/68/10/564596810.db2.gz UTEUJDSMTCCVSN-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000128060826 564605290 /nfs/dbraw/zinc/60/52/90/564605290.db2.gz VCMMARQQLAMTLN-SECBINFHSA-N 0 1 377.198 3.233 20 0 GGADMN CSCCCNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000128070626 564606345 /nfs/dbraw/zinc/60/63/45/564606345.db2.gz NVQACMSGCXZARM-UHFFFAOYSA-N 0 1 379.551 3.489 20 0 GGADMN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[C@@H](C1CC1)N1CCCC1 ZINC000128113241 564607215 /nfs/dbraw/zinc/60/72/15/564607215.db2.gz HFQANTRQYXWRLY-OAHLLOKOSA-N 0 1 380.279 3.387 20 0 GGADMN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)[C@H](C1CC1)N1CCCC1 ZINC000128113452 564607677 /nfs/dbraw/zinc/60/76/77/564607677.db2.gz HFQANTRQYXWRLY-HNNXBMFYSA-N 0 1 380.279 3.387 20 0 GGADMN CN(CC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000128199379 564610301 /nfs/dbraw/zinc/61/03/01/564610301.db2.gz DSZNXMLYHCZGTN-GFCCVEGCSA-N 0 1 392.352 3.099 20 0 GGADMN C[C@@H](OC[C@@H](O)CN1CCC(O)(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000128191021 564610319 /nfs/dbraw/zinc/61/03/19/564610319.db2.gz SQRGONKUALWLNW-DOMZBBRYSA-N 0 1 381.822 3.168 20 0 GGADMN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC(O)(C(F)(F)F)CC1 ZINC000128254081 564612704 /nfs/dbraw/zinc/61/27/04/564612704.db2.gz MWVNTMBQEBJDQJ-LLVKDONJSA-N 0 1 388.213 3.122 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc(C)no2)cc1Br ZINC000055009041 564613186 /nfs/dbraw/zinc/61/31/86/564613186.db2.gz CUAMZYQCFDLMBP-MNOVXSKESA-N 0 1 382.258 3.432 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)s1 ZINC000055269164 564618070 /nfs/dbraw/zinc/61/80/70/564618070.db2.gz VOLNEZSZXPAGKI-UHFFFAOYSA-N 0 1 376.906 3.293 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CCc1ccccn1 ZINC000128411593 564618526 /nfs/dbraw/zinc/61/85/26/564618526.db2.gz SCANQYGEFHXMGZ-OAHLLOKOSA-N 0 1 390.325 3.366 20 0 GGADMN CSC[C@H](C)NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000128457518 564619140 /nfs/dbraw/zinc/61/91/40/564619140.db2.gz XQQLWGZGEXGJJE-ZDUSSCGKSA-N 0 1 379.551 3.487 20 0 GGADMN COC(=O)COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000055594688 564625366 /nfs/dbraw/zinc/62/53/66/564625366.db2.gz DTMXYRJICVVLNV-UHFFFAOYSA-N 0 1 390.244 3.346 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2nnc(C(F)(F)F)s2)cc1F ZINC000128703872 564626572 /nfs/dbraw/zinc/62/65/72/564626572.db2.gz TUEXXTIQGULMKB-UHFFFAOYSA-N 0 1 377.367 3.079 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCCC[C@H]1CCO ZINC000128730154 564627563 /nfs/dbraw/zinc/62/75/63/564627563.db2.gz 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CN(CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCSC1 ZINC000131561579 564715943 /nfs/dbraw/zinc/71/59/43/564715943.db2.gz JTVSPVYYTPENPP-CZUORRHYSA-N 0 1 389.348 3.331 20 0 GGADMN Cc1noc2ncc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)cc12 ZINC000063497145 564717566 /nfs/dbraw/zinc/71/75/66/564717566.db2.gz QVHRCVHNDUIXAA-UHFFFAOYSA-N 0 1 399.208 3.331 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccc(CNCc2cnc(C(C)C)s2)cc1 ZINC000131586739 564717673 /nfs/dbraw/zinc/71/76/73/564717673.db2.gz HWSIVSXKMTTYST-UHFFFAOYSA-N 0 1 381.567 3.384 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(NC(C)=O)c2)c1 ZINC000063443907 564717963 /nfs/dbraw/zinc/71/79/63/564717963.db2.gz IXRBDYVHODDFAX-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000063452323 564718020 /nfs/dbraw/zinc/71/80/20/564718020.db2.gz MOMHFZOPLUIZBU-UHFFFAOYSA-N 0 1 376.331 3.468 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000131678961 564720312 /nfs/dbraw/zinc/72/03/12/564720312.db2.gz 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O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000131951449 564728840 /nfs/dbraw/zinc/72/88/40/564728840.db2.gz DUDUTIUQFRNTGB-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cc(Cl)ccc2OC)cc1 ZINC000131924793 564729249 /nfs/dbraw/zinc/72/92/49/564729249.db2.gz LXRMRVKZIYXCHG-ZDUSSCGKSA-N 0 1 382.913 3.249 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000131957879 564729709 /nfs/dbraw/zinc/72/97/09/564729709.db2.gz PDNYKGDJQNCUOF-QGZVFWFLSA-N 0 1 395.322 3.134 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(Br)s2)c1 ZINC000131970148 564730162 /nfs/dbraw/zinc/73/01/62/564730162.db2.gz ZJAUVIQQZJWDIK-SNVBAGLBSA-N 0 1 389.340 3.270 20 0 GGADMN COc1c(F)cc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cc1F ZINC000064489782 564730787 /nfs/dbraw/zinc/73/07/87/564730787.db2.gz VHLSEAFMVUJRHP-UHFFFAOYSA-N 0 1 390.795 3.251 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)cc1 ZINC000064475621 564731020 /nfs/dbraw/zinc/73/10/20/564731020.db2.gz OKDZAFYNJAALAH-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN Cc1nc2cc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)ccc2[nH]1 ZINC000064487050 564731031 /nfs/dbraw/zinc/73/10/31/564731031.db2.gz TWTVWNKEIXRZON-UHFFFAOYSA-N 0 1 378.841 3.149 20 0 GGADMN COc1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1Br ZINC000132005483 564731181 /nfs/dbraw/zinc/73/11/81/564731181.db2.gz NMNDAJSILYRYCK-RHSMWYFYSA-N 0 1 394.313 3.137 20 0 GGADMN Cc1nc2ccc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2o1 ZINC000064487703 564731212 /nfs/dbraw/zinc/73/12/12/564731212.db2.gz QZLHCVKUILVFCG-UHFFFAOYSA-N 0 1 379.825 3.413 20 0 GGADMN CSc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000064598330 564732433 /nfs/dbraw/zinc/73/24/33/564732433.db2.gz LRGOZCZSKIFTDX-UHFFFAOYSA-N 0 1 382.526 3.300 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c(F)cccc1F ZINC000064599495 564732699 /nfs/dbraw/zinc/73/26/99/564732699.db2.gz YMTYGKYQZQILDV-ZDUSSCGKSA-N 0 1 386.489 3.217 20 0 GGADMN Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000064599425 564732727 /nfs/dbraw/zinc/73/27/27/564732727.db2.gz JOHJVTZCBLDICY-HNNXBMFYSA-N 0 1 382.526 3.386 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000064938126 564736667 /nfs/dbraw/zinc/73/66/67/564736667.db2.gz IBAFPHPDHLSBAQ-GFCCVEGCSA-N 0 1 382.869 3.423 20 0 GGADMN Cc1cc(NC(=O)CN[C@@]2(CO)CCc3ccccc32)ccc1Br ZINC000132250160 564737144 /nfs/dbraw/zinc/73/71/44/564737144.db2.gz LBJBJBRYGAEMDR-LJQANCHMSA-N 0 1 389.293 3.120 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000064957543 564737753 /nfs/dbraw/zinc/73/77/53/564737753.db2.gz LAWOLQQVAPEUQJ-TXEJJXNPSA-N 0 1 378.460 3.139 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000064957543 564737757 /nfs/dbraw/zinc/73/77/57/564737757.db2.gz LAWOLQQVAPEUQJ-TXEJJXNPSA-N 0 1 378.460 3.139 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@]2(CO)CCc3ccccc32)c(Br)c1 ZINC000132297459 564738640 /nfs/dbraw/zinc/73/86/40/564738640.db2.gz WOGWKHQFRSZTDI-LJQANCHMSA-N 0 1 389.293 3.120 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)Cc2ccccc2)c(OC)c1 ZINC000132272347 564738810 /nfs/dbraw/zinc/73/88/10/564738810.db2.gz AZQUIYVNRVUJNO-CQSZACIVSA-N 0 1 380.282 3.160 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1F ZINC000132348549 564740929 /nfs/dbraw/zinc/74/09/29/564740929.db2.gz ZESIYCVNZVOHNT-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN COc1cc(Br)cc(C)c1NC(=O)N1CCN(CC2CC2)CC1 ZINC000065815970 564749838 /nfs/dbraw/zinc/74/98/38/564749838.db2.gz VEOCENUESNJBPM-UHFFFAOYSA-N 0 1 382.302 3.326 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1c[nH]c2ccccc2c1=O ZINC000065911123 564752238 /nfs/dbraw/zinc/75/22/38/564752238.db2.gz CTPLZCRZODVWJI-UHFFFAOYSA-N 0 1 387.233 3.099 20 0 GGADMN CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000065972496 564752578 /nfs/dbraw/zinc/75/25/78/564752578.db2.gz NJDVQAWUKCKPTJ-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN O=S(=O)(CCNCc1c[nH]nc1-c1cccs1)c1ccc(Cl)cc1 ZINC000065935845 564752728 /nfs/dbraw/zinc/75/27/28/564752728.db2.gz FRCJZYQIRKOTNT-UHFFFAOYSA-N 0 1 381.910 3.355 20 0 GGADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC000065972238 564753056 /nfs/dbraw/zinc/75/30/56/564753056.db2.gz HBBRTIFWOBROSV-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000065972424 564753081 /nfs/dbraw/zinc/75/30/81/564753081.db2.gz KWEWOWNJDJQGEZ-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](C)C1 ZINC000066000522 564753708 /nfs/dbraw/zinc/75/37/08/564753708.db2.gz JIIGIFYSPROJLS-RYUDHWBXSA-N 0 1 382.423 3.243 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccccc1Cl ZINC000065972630 564754100 /nfs/dbraw/zinc/75/41/00/564754100.db2.gz RPBBXJIXYMDUOR-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000132837523 564755237 /nfs/dbraw/zinc/75/52/37/564755237.db2.gz PUORPMXLFXMGPO-OAHLLOKOSA-N 0 1 377.282 3.057 20 0 GGADMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)COC3)c1 ZINC000132930408 564757960 /nfs/dbraw/zinc/75/79/60/564757960.db2.gz PNQPWTCEVXRKNY-UHFFFAOYSA-N 0 1 397.294 3.346 20 0 GGADMN COc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1NC(C)=O ZINC000133010160 564759820 /nfs/dbraw/zinc/75/98/20/564759820.db2.gz IVDQDQASCGKARG-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)COCc3cccs3)n2)cc1 ZINC000066399581 564764622 /nfs/dbraw/zinc/76/46/22/564764622.db2.gz STMLHPLFJARGNG-ZDUSSCGKSA-N 0 1 377.491 3.212 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)NCc2ccc(Cl)s2)C1 ZINC000066474436 564766337 /nfs/dbraw/zinc/76/63/37/564766337.db2.gz KYCIDJOGCBMCHS-KBPBESRZSA-N 0 1 385.961 3.035 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1NS(C)(=O)=O ZINC000133296791 564769463 /nfs/dbraw/zinc/76/94/63/564769463.db2.gz FMCZYHFJQAWNME-UHFFFAOYSA-N 0 1 399.266 3.087 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCCCc1cccc(Br)c1 ZINC000066687360 564772830 /nfs/dbraw/zinc/77/28/30/564772830.db2.gz FTAZZAPVAXJBBP-UHFFFAOYSA-N 0 1 379.302 3.345 20 0 GGADMN Nc1cc(N)nc(SCc2ncc(-c3ccccc3Br)o2)n1 ZINC000133611535 564779937 /nfs/dbraw/zinc/77/99/37/564779937.db2.gz YYKQLVAKBKAPMG-UHFFFAOYSA-N 0 1 378.255 3.351 20 0 GGADMN Cn1c(CNCCC(=O)Nc2ccc(Br)cc2)nc2ccccc21 ZINC000066991692 564781519 /nfs/dbraw/zinc/78/15/19/564781519.db2.gz RNAMVDDIERXBSE-UHFFFAOYSA-N 0 1 387.281 3.454 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000067118925 564784633 /nfs/dbraw/zinc/78/46/33/564784633.db2.gz ASXNRTPZBGBERL-CQSZACIVSA-N 0 1 377.337 3.383 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000133817241 564786068 /nfs/dbraw/zinc/78/60/68/564786068.db2.gz HTBFOUFEMRXTGH-KRWDZBQOSA-N 0 1 380.510 3.403 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000133847639 564787020 /nfs/dbraw/zinc/78/70/20/564787020.db2.gz SNTDBZDWBNWFSA-UHFFFAOYSA-N 0 1 375.270 3.253 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Br)c(F)c1 ZINC000067202962 564787098 /nfs/dbraw/zinc/78/70/98/564787098.db2.gz NBLVSFCRZVMONB-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1Br ZINC000133918640 564788791 /nfs/dbraw/zinc/78/87/91/564788791.db2.gz WFNRWVFXQAWHIF-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN CN(CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000067379989 564790453 /nfs/dbraw/zinc/79/04/53/564790453.db2.gz GGGIVSSGFBHODE-UHFFFAOYSA-N 0 1 380.275 3.180 20 0 GGADMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1N1CCCS1(=O)=O ZINC000133975843 564790855 /nfs/dbraw/zinc/79/08/55/564790855.db2.gz CQVRKILRTPBXRB-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN CCCCN(CCC(=O)Nc1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000067399977 564791138 /nfs/dbraw/zinc/79/11/38/564791138.db2.gz RVWHFWYLHJNFRZ-HNNXBMFYSA-N 0 1 384.567 3.026 20 0 GGADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)s1 ZINC000067386509 564791761 /nfs/dbraw/zinc/79/17/61/564791761.db2.gz GIAHSYCTSLDXDA-SNVBAGLBSA-N 0 1 389.340 3.351 20 0 GGADMN CC(=O)NC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000067417390 564792695 /nfs/dbraw/zinc/79/26/95/564792695.db2.gz LGBSCDJLWNNBJJ-TZMCWYRMSA-N 0 1 386.323 3.019 20 0 GGADMN CC(C)N(C)CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000134122571 564794347 /nfs/dbraw/zinc/79/43/47/564794347.db2.gz WOPDLEPEBUJOGZ-UHFFFAOYSA-N 0 1 379.302 3.167 20 0 GGADMN CCC(C)(C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000134153352 564794989 /nfs/dbraw/zinc/79/49/89/564794989.db2.gz QWXPRXCJTFXUBI-UHFFFAOYSA-N 0 1 384.217 3.051 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000067826596 564800033 /nfs/dbraw/zinc/80/00/33/564800033.db2.gz OTZCRLLWXMZATR-MRXNPFEDSA-N 0 1 378.270 3.338 20 0 GGADMN O[C@H](CN1CCC[C@H](c2nnc3n2CCC3)C1)c1ccc(Cl)cc1Cl ZINC000134329235 564800125 /nfs/dbraw/zinc/80/01/25/564800125.db2.gz LEPCQENHSVVPRF-BLLLJJGKSA-N 0 1 381.307 3.444 20 0 GGADMN C[C@H](C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)S(C)(=O)=O ZINC000067928924 564802146 /nfs/dbraw/zinc/80/21/46/564802146.db2.gz NYBYZFVGQVXJAG-SNVBAGLBSA-N 0 1 377.853 3.255 20 0 GGADMN COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076840 564807582 /nfs/dbraw/zinc/80/75/82/564807582.db2.gz WVMKWXQHDXFMIU-UHFFFAOYSA-N 0 1 376.459 3.444 20 0 GGADMN CS[C@@H]1CCCCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000134601764 564809079 /nfs/dbraw/zinc/80/90/79/564809079.db2.gz JPHMKWPOAXWMRC-CQSZACIVSA-N 0 1 379.917 3.077 20 0 GGADMN CC(C)N(C)CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000134648450 564810530 /nfs/dbraw/zinc/81/05/30/564810530.db2.gz USEFHDUWNCLVAS-UHFFFAOYSA-N 0 1 379.258 3.310 20 0 GGADMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1nnc([C@H]2CCCO2)o1 ZINC000068275847 564812701 /nfs/dbraw/zinc/81/27/01/564812701.db2.gz MTWZXBJDYPLYMN-LLVKDONJSA-N 0 1 379.829 3.182 20 0 GGADMN COc1ccc([C@H](CNC(=O)CSCC(F)(F)F)N2CCCC2)cc1 ZINC000134687961 564812697 /nfs/dbraw/zinc/81/26/97/564812697.db2.gz XTEQZVWYOMMNDR-HNNXBMFYSA-N 0 1 376.444 3.244 20 0 GGADMN Cc1nn(-c2ccc(C(=O)NCc3cn[nH]c3C)cc2)c(C)c1Br ZINC000068271823 564813005 /nfs/dbraw/zinc/81/30/05/564813005.db2.gz FWZLDTAZIRRARD-UHFFFAOYSA-N 0 1 388.269 3.213 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSCC(F)(F)F)N2CCCC2)c1 ZINC000134746675 564814669 /nfs/dbraw/zinc/81/46/69/564814669.db2.gz SBZWQCDRPKLFRN-HNNXBMFYSA-N 0 1 376.444 3.244 20 0 GGADMN Cc1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000493985207 564815344 /nfs/dbraw/zinc/81/53/44/564815344.db2.gz XSYKMSBHBIOZDU-VIFPVBQESA-N 0 1 380.239 3.488 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000134898536 564818165 /nfs/dbraw/zinc/81/81/65/564818165.db2.gz BMXXIOACWZPSCP-UHFFFAOYSA-N 0 1 386.876 3.028 20 0 GGADMN CCC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000135389016 564830177 /nfs/dbraw/zinc/83/01/77/564830177.db2.gz YMLPAXTZHRDXCR-UHFFFAOYSA-N 0 1 378.837 3.228 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000069090046 564832314 /nfs/dbraw/zinc/83/23/14/564832314.db2.gz OLNUDLUEMNCPTE-HNNXBMFYSA-N 0 1 387.332 3.445 20 0 GGADMN CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000069090050 564832664 /nfs/dbraw/zinc/83/26/64/564832664.db2.gz OLNUDLUEMNCPTE-OAHLLOKOSA-N 0 1 387.332 3.445 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(O)c1 ZINC000135574276 564835381 /nfs/dbraw/zinc/83/53/81/564835381.db2.gz CQJWHNIHERSUAR-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000135638530 564837490 /nfs/dbraw/zinc/83/74/90/564837490.db2.gz QLQLGJZPJDHUJV-UHFFFAOYSA-N 0 1 391.265 3.474 20 0 GGADMN OC[C@]1(NCc2cc3c(c(Br)c2)OCO3)CCc2ccccc21 ZINC000135881762 564841580 /nfs/dbraw/zinc/84/15/80/564841580.db2.gz BAQIHDPWDZVQJL-GOSISDBHSA-N 0 1 376.250 3.101 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1 ZINC000069646945 564842456 /nfs/dbraw/zinc/84/24/56/564842456.db2.gz LMQPYJBZQIAEPE-UHFFFAOYSA-N 0 1 382.869 3.288 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000069725011 564843414 /nfs/dbraw/zinc/84/34/14/564843414.db2.gz LQOWHVOXJNDCPS-MRXNPFEDSA-N 0 1 377.286 3.400 20 0 GGADMN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069710446 564843422 /nfs/dbraw/zinc/84/34/22/564843422.db2.gz IJXYKJCKEPVNJZ-HZPDHXFCSA-N 0 1 382.957 3.391 20 0 GGADMN O=C(/C=C/c1ccc(Br)s1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069744457 564843463 /nfs/dbraw/zinc/84/34/63/564843463.db2.gz ATWJFFTYFXIVMO-YVZNUBBCSA-N 0 1 399.354 3.095 20 0 GGADMN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069744711 564843832 /nfs/dbraw/zinc/84/38/32/564843832.db2.gz MSFVFXBLIXNKMP-MRXNPFEDSA-N 0 1 385.335 3.497 20 0 GGADMN O=C(CCc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069744713 564843879 /nfs/dbraw/zinc/84/38/79/564843879.db2.gz MSFVFXBLIXNKMP-INIZCTEOSA-N 0 1 385.335 3.497 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069744427 564843993 /nfs/dbraw/zinc/84/39/93/564843993.db2.gz CGKPZUZGJZSTEU-KRWDZBQOSA-N 0 1 382.957 3.144 20 0 GGADMN COC(=O)c1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)s1 ZINC000069789110 564845055 /nfs/dbraw/zinc/84/50/55/564845055.db2.gz XOZMHYJTBCGVHT-UHFFFAOYSA-N 0 1 382.551 3.016 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(F)ccc2Br)C[C@@H](C)O1 ZINC000136437039 564851070 /nfs/dbraw/zinc/85/10/70/564851070.db2.gz VWBSIZKPXWPXGP-VXGBXAGGSA-N 0 1 388.281 3.209 20 0 GGADMN O=C(NCc1nnc[nH]1)c1ccccc1OCc1cccc(Br)c1 ZINC000070824343 564851977 /nfs/dbraw/zinc/85/19/77/564851977.db2.gz QAWLXHZAEVJUDO-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000070869370 564852113 /nfs/dbraw/zinc/85/21/13/564852113.db2.gz SKPCICHXOWJSHU-AAEUAGOBSA-N 0 1 381.263 3.127 20 0 GGADMN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000070869372 564852190 /nfs/dbraw/zinc/85/21/90/564852190.db2.gz SKPCICHXOWJSHU-WCQYABFASA-N 0 1 381.263 3.127 20 0 GGADMN C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000070869371 564852353 /nfs/dbraw/zinc/85/23/53/564852353.db2.gz SKPCICHXOWJSHU-YPMHNXCESA-N 0 1 381.263 3.127 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000070869373 564852388 /nfs/dbraw/zinc/85/23/88/564852388.db2.gz SKPCICHXOWJSHU-DGCLKSJQSA-N 0 1 381.263 3.127 20 0 GGADMN CCSc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000071091964 564855906 /nfs/dbraw/zinc/85/59/06/564855906.db2.gz DLGHKBLNLQPDRG-UHFFFAOYSA-N 0 1 379.507 3.164 20 0 GGADMN C[C@H](NCc1cc(Br)cs1)c1cccc(S(N)(=O)=O)c1 ZINC000071307807 564856371 /nfs/dbraw/zinc/85/63/71/564856371.db2.gz XSHAFVLSHSUJEV-VIFPVBQESA-N 0 1 375.313 3.009 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1COc2ccc(Br)cc21 ZINC000136914758 564856825 /nfs/dbraw/zinc/85/68/25/564856825.db2.gz QDIPYUYXMLCSBF-LBPRGKRZSA-N 0 1 390.212 3.257 20 0 GGADMN Cc1cc(NC(=O)CNC(=O)[C@H](C)N2CCCCCC2)ccc1Br ZINC000079309536 564866663 /nfs/dbraw/zinc/86/66/63/564866663.db2.gz SZHKILVBCAROPP-AWEZNQCLSA-N 0 1 396.329 3.077 20 0 GGADMN CC(C)(CNC(=O)CCCCc1cn[nH]n1)c1cccc(Br)c1 ZINC000139256985 564868797 /nfs/dbraw/zinc/86/87/97/564868797.db2.gz IOMWJLDMJRHDOA-UHFFFAOYSA-N 0 1 379.302 3.374 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000139419796 564868813 /nfs/dbraw/zinc/86/88/13/564868813.db2.gz MKOPPURAUQWEHE-UHFFFAOYSA-N 0 1 376.873 3.252 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000139267738 564869076 /nfs/dbraw/zinc/86/90/76/564869076.db2.gz VSEKYLDKTXJZFU-INIZCTEOSA-N 0 1 383.279 3.424 20 0 GGADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000139302229 564869199 /nfs/dbraw/zinc/86/91/99/564869199.db2.gz IMTCMJLHQJRROM-AWEZNQCLSA-N 0 1 380.330 3.117 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000085597930 564869327 /nfs/dbraw/zinc/86/93/27/564869327.db2.gz ZEDOOXPKNIVJKP-UHFFFAOYSA-N 0 1 386.857 3.271 20 0 GGADMN CCn1c(NC(=O)CCCCc2cn[nH]n2)nc2ccc(Br)cc21 ZINC000139718647 564870386 /nfs/dbraw/zinc/87/03/86/564870386.db2.gz UZZWBVRBIMBIFI-UHFFFAOYSA-N 0 1 391.273 3.288 20 0 GGADMN O=C1NCCN1C1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000091733230 564871214 /nfs/dbraw/zinc/87/12/14/564871214.db2.gz OAKAFNXKAIRGPT-QGZVFWFLSA-N 0 1 378.314 3.316 20 0 GGADMN C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1Cc2ccccc2C1 ZINC000141256526 564873118 /nfs/dbraw/zinc/87/31/18/564873118.db2.gz KIHLDLYQGWVVSO-UHFFFAOYSA-N 0 1 384.277 3.056 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)N2CCN(CCc3cccs3)CC2)sc1C ZINC000141381028 564873222 /nfs/dbraw/zinc/87/32/22/564873222.db2.gz BMPHTJAYOJRWTP-AWEZNQCLSA-N 0 1 378.567 3.009 20 0 GGADMN Cc1nc(NC(=O)[C@@H](C)N2CCN(CCc3cccs3)CC2)sc1C ZINC000141380847 564873377 /nfs/dbraw/zinc/87/33/77/564873377.db2.gz BMPHTJAYOJRWTP-CQSZACIVSA-N 0 1 378.567 3.009 20 0 GGADMN CCCOc1c(Br)cc(CN(CC(N)=O)CC(C)C)cc1OC ZINC000092011896 564874159 /nfs/dbraw/zinc/87/41/59/564874159.db2.gz ZBLFHTYNJZYGGA-UHFFFAOYSA-N 0 1 387.318 3.190 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000092362038 564876971 /nfs/dbraw/zinc/87/69/71/564876971.db2.gz YWMUQGXNAWEDNW-UHFFFAOYSA-N 0 1 379.551 3.236 20 0 GGADMN CN(C1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1)S(C)(=O)=O ZINC000092530430 564878236 /nfs/dbraw/zinc/87/82/36/564878236.db2.gz IQPZOGRHSYDZSP-UHFFFAOYSA-N 0 1 382.913 3.456 20 0 GGADMN CN(C1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1)S(C)(=O)=O ZINC000092530704 564878408 /nfs/dbraw/zinc/87/84/08/564878408.db2.gz ZFNFXEKSJACEPW-UHFFFAOYSA-N 0 1 382.913 3.456 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706193 564880980 /nfs/dbraw/zinc/88/09/80/564880980.db2.gz UFQVWROWHJLGFY-AWEZNQCLSA-N 0 1 383.330 3.442 20 0 GGADMN Cc1cc(CN2CCC(c3ccnn3CCO)CC2)ccc1Br ZINC000092811144 564881337 /nfs/dbraw/zinc/88/13/37/564881337.db2.gz FXKDFMDFHHHMMC-UHFFFAOYSA-N 0 1 378.314 3.326 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(F)cc1F ZINC000146479384 564882041 /nfs/dbraw/zinc/88/20/41/564882041.db2.gz QTLXBZBZMARAHB-ZDUSSCGKSA-N 0 1 386.489 3.217 20 0 GGADMN Cn1nccc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000092965705 564882088 /nfs/dbraw/zinc/88/20/88/564882088.db2.gz IUDMKNATNPGBPI-UHFFFAOYSA-N 0 1 377.286 3.033 20 0 GGADMN CCn1c2ccc(Br)cc2nc1NC(=O)c1c(C)nn(C)c1Cl ZINC000092898966 564882223 /nfs/dbraw/zinc/88/22/23/564882223.db2.gz FCEXEYFWOPACFV-UHFFFAOYSA-N 0 1 396.676 3.188 20 0 GGADMN O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(CO)o2)CC1 ZINC000092965696 564882263 /nfs/dbraw/zinc/88/22/63/564882263.db2.gz WYERHQHEBAMGSQ-UHFFFAOYSA-N 0 1 393.281 3.385 20 0 GGADMN Cc1n[nH]cc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000092965748 564883346 /nfs/dbraw/zinc/88/33/46/564883346.db2.gz VXMJEXHGGJLYDY-UHFFFAOYSA-N 0 1 377.286 3.331 20 0 GGADMN O=C1CCCN1C1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093088247 564883489 /nfs/dbraw/zinc/88/34/89/564883489.db2.gz PRORYSTUGSBWBV-UHFFFAOYSA-N 0 1 391.309 3.312 20 0 GGADMN COC(=O)CCN(Cc1cc(Br)c(OC)s1)C[C@@H]1CCCO1 ZINC000093460615 564885896 /nfs/dbraw/zinc/88/58/96/564885896.db2.gz OWOWNCUFAPDHFM-NSHDSACASA-N 0 1 392.315 3.063 20 0 GGADMN Brc1ccc(Cc2noc([C@@H]3CCCN3Cc3cnc[nH]3)n2)cc1 ZINC000093363852 564885923 /nfs/dbraw/zinc/88/59/23/564885923.db2.gz HRSJAIVVKJTFDI-HNNXBMFYSA-N 0 1 388.269 3.483 20 0 GGADMN Cc1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)c(Br)c1 ZINC000093454855 564886516 /nfs/dbraw/zinc/88/65/16/564886516.db2.gz NLNHPUFPLUJEOY-KRWDZBQOSA-N 0 1 378.314 3.437 20 0 GGADMN COCc1nc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cs1 ZINC000149923700 564886888 /nfs/dbraw/zinc/88/68/88/564886888.db2.gz HVIAZARSMQZKRD-UHFFFAOYSA-N 0 1 379.913 3.337 20 0 GGADMN O=C(NCC1CC1)[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093545756 564887546 /nfs/dbraw/zinc/88/75/46/564887546.db2.gz VEITXIQVUKZZGO-OAHLLOKOSA-N 0 1 381.314 3.066 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2ccccc2Br)C[C@H](C)O1 ZINC000093546988 564887576 /nfs/dbraw/zinc/88/75/76/564887576.db2.gz JZNSRCNPIWPNNW-BBWFWOEESA-N 0 1 397.357 3.402 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3cc(F)cc(Cl)c3)c(Cl)cc2N1 ZINC000150752967 564889456 /nfs/dbraw/zinc/88/94/56/564889456.db2.gz VPIBZTCMLDUNQZ-UHFFFAOYSA-N 0 1 375.208 3.428 20 0 GGADMN COc1cc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cc2c1OCO2 ZINC000093815430 564890425 /nfs/dbraw/zinc/89/04/25/564890425.db2.gz NCAWGUCXKJUMDD-OAHLLOKOSA-N 0 1 394.265 3.352 20 0 GGADMN COc1cc(CN(C)[C@H](CO)c2cccc(Br)c2)cc2c1OCO2 ZINC000093815430 564890429 /nfs/dbraw/zinc/89/04/29/564890429.db2.gz NCAWGUCXKJUMDD-OAHLLOKOSA-N 0 1 394.265 3.352 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CCOc1ccccc1Br)CC2 ZINC000093791933 564890623 /nfs/dbraw/zinc/89/06/23/564890623.db2.gz UHKFNGVUEKVPBW-IAGOWNOFSA-N 0 1 384.314 3.080 20 0 GGADMN Brc1ccccc1OCCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093790947 564890650 /nfs/dbraw/zinc/89/06/50/564890650.db2.gz ABVMCFLIDQQQJO-CQSZACIVSA-N 0 1 391.313 3.245 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(CCOc1ccccc1Br)CC2 ZINC000093791934 564891024 /nfs/dbraw/zinc/89/10/24/564891024.db2.gz UHKFNGVUEKVPBW-SJORKVTESA-N 0 1 384.314 3.080 20 0 GGADMN COc1cc(Br)c(CN2CC[C@H](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000093870051 564891481 /nfs/dbraw/zinc/89/14/81/564891481.db2.gz NFDJWCWHEVHWSQ-CYBMUJFWSA-N 0 1 394.313 3.264 20 0 GGADMN O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000150820362 564892101 /nfs/dbraw/zinc/89/21/01/564892101.db2.gz NKOVWYRIWMFCTL-UHFFFAOYSA-N 0 1 377.315 3.417 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1CC[C@]2(CCOC2)C1 ZINC000093820569 564892248 /nfs/dbraw/zinc/89/22/48/564892248.db2.gz CJIHPYAFVSQHMP-SFHVURJKSA-N 0 1 384.314 3.477 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000150814449 564892322 /nfs/dbraw/zinc/89/23/22/564892322.db2.gz FRJYCSGQEOPFCC-UHFFFAOYSA-N 0 1 380.832 3.477 20 0 GGADMN CC[C@H](NCc1ccc(S(N)(=O)=O)s1)c1ccc(Br)cc1 ZINC000150845612 564892930 /nfs/dbraw/zinc/89/29/30/564892930.db2.gz HFBCIITYTQJDBP-ZDUSSCGKSA-N 0 1 389.340 3.399 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2C)cn1 ZINC000093908304 564893186 /nfs/dbraw/zinc/89/31/86/564893186.db2.gz KMUVMXNNIXVART-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000150840767 564893374 /nfs/dbraw/zinc/89/33/74/564893374.db2.gz HAEREIYNEPPXDT-UHFFFAOYSA-N 0 1 380.275 3.335 20 0 GGADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093922545 564893774 /nfs/dbraw/zinc/89/37/74/564893774.db2.gz NHHASVHBAWAHOA-UHFFFAOYSA-N 0 1 384.933 3.101 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)ccc1Br ZINC000150855152 564894053 /nfs/dbraw/zinc/89/40/53/564894053.db2.gz FHYXVKPGHAFVAO-UHFFFAOYSA-N 0 1 394.244 3.001 20 0 GGADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3O)ccc21 ZINC000150856880 564894149 /nfs/dbraw/zinc/89/41/49/564894149.db2.gz DZWYMIWMTCHOEI-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN O=C1CC[C@@H]2CN(CCOc3ccccc3Br)CC[C@@H]2N1C1CC1 ZINC000093989137 564894452 /nfs/dbraw/zinc/89/44/52/564894452.db2.gz TXLPKYBELGFWHR-PBHICJAKSA-N 0 1 393.325 3.303 20 0 GGADMN O=C1CC[C@@H]2CN(CCOc3ccccc3Br)CC[C@H]2N1C1CC1 ZINC000093989136 564894814 /nfs/dbraw/zinc/89/48/14/564894814.db2.gz TXLPKYBELGFWHR-RHSMWYFYSA-N 0 1 393.325 3.303 20 0 GGADMN O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc(Br)cc1O ZINC000094032168 564895757 /nfs/dbraw/zinc/89/57/57/564895757.db2.gz IBEWGINBXLMVOR-UHFFFAOYSA-N 0 1 391.265 3.368 20 0 GGADMN C[C@@H]1CC(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@@H](C)O1 ZINC000094068067 564895783 /nfs/dbraw/zinc/89/57/83/564895783.db2.gz WQYHNSNRRMNSHO-NXEZZACHSA-N 0 1 379.258 3.376 20 0 GGADMN NC(=O)CCSc1ccccc1NC(=O)c1ccc(Br)cc1O ZINC000094105976 564896467 /nfs/dbraw/zinc/89/64/67/564896467.db2.gz PYOOJRNTARLSAL-UHFFFAOYSA-N 0 1 395.278 3.375 20 0 GGADMN C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000094138890 564897326 /nfs/dbraw/zinc/89/73/26/564897326.db2.gz ZLRUJISXFWAKHS-LLVKDONJSA-N 0 1 381.881 3.237 20 0 GGADMN CN(C)c1nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2o1 ZINC000150963659 564899196 /nfs/dbraw/zinc/89/91/96/564899196.db2.gz KRZXWYDZHMIJAK-UHFFFAOYSA-N 0 1 396.266 3.457 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3nc(N(C)C)oc3c2)c1 ZINC000150960595 564899241 /nfs/dbraw/zinc/89/92/41/564899241.db2.gz BGXBHWGNZBMVDF-UHFFFAOYSA-N 0 1 381.841 3.357 20 0 GGADMN COCCC1(CN[C@@H](C(N)=O)c2ccc(Br)cc2F)CCCC1 ZINC000151015805 564901564 /nfs/dbraw/zinc/90/15/64/564901564.db2.gz BZVAEEMWQKORAJ-OAHLLOKOSA-N 0 1 387.293 3.301 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000151009297 564901575 /nfs/dbraw/zinc/90/15/75/564901575.db2.gz RGSWWZBESJDTDY-NSHDSACASA-N 0 1 395.276 3.291 20 0 GGADMN O=C(CCCc1ccccc1Br)N1CCC(c2nc[nH]n2)CC1 ZINC000151015426 564901860 /nfs/dbraw/zinc/90/18/60/564901860.db2.gz FVAWQDPTDWKXQN-UHFFFAOYSA-N 0 1 377.286 3.296 20 0 GGADMN O=C1[C@H](Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)CCN1CC(F)(F)F ZINC000151094521 564905149 /nfs/dbraw/zinc/90/51/49/564905149.db2.gz ZWZTVQZEDVHLLT-SNVBAGLBSA-N 0 1 378.326 3.005 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)NCc1cccnc1OCC(F)(F)F ZINC000151117792 564906301 /nfs/dbraw/zinc/90/63/01/564906301.db2.gz GERLAIURUWBPSH-SNVBAGLBSA-N 0 1 393.207 3.160 20 0 GGADMN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151127759 564906536 /nfs/dbraw/zinc/90/65/36/564906536.db2.gz DFUVVWGGSDUKDT-LLVKDONJSA-N 0 1 384.851 3.369 20 0 GGADMN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151127759 564906540 /nfs/dbraw/zinc/90/65/40/564906540.db2.gz DFUVVWGGSDUKDT-LLVKDONJSA-N 0 1 384.851 3.369 20 0 GGADMN COc1ncccc1CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000151137112 564907062 /nfs/dbraw/zinc/90/70/62/564907062.db2.gz LFFQVPKMNXOYEJ-LBPRGKRZSA-N 0 1 378.270 3.360 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC000097309042 564907701 /nfs/dbraw/zinc/90/77/01/564907701.db2.gz VNPSUIIZVZWJAJ-OAHLLOKOSA-N 0 1 384.318 3.236 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000151157555 564907799 /nfs/dbraw/zinc/90/77/99/564907799.db2.gz OMPUAGJLWLMTJN-LLVKDONJSA-N 0 1 397.292 3.483 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000151157472 564907999 /nfs/dbraw/zinc/90/79/99/564907999.db2.gz OMPUAGJLWLMTJN-NSHDSACASA-N 0 1 397.292 3.483 20 0 GGADMN CCCN(CC)CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000151156251 564908250 /nfs/dbraw/zinc/90/82/50/564908250.db2.gz GRVVVHYVMKXONI-UHFFFAOYSA-N 0 1 380.535 3.043 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)N1CCC(C)CC1 ZINC000097549617 564908529 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3.279 20 0 GGADMN CC(C)[C@@H](CO)NCc1coc(-c2ccc(I)cc2)n1 ZINC000156316666 565080025 /nfs/dbraw/zinc/08/00/25/565080025.db2.gz VAOUVRREOVKUOL-CQSZACIVSA-N 0 1 386.233 3.053 20 0 GGADMN CN(CC(=O)NCC1(c2ccccc2Br)CC1)[C@H]1CCSC1 ZINC000156331677 565080471 /nfs/dbraw/zinc/08/04/71/565080471.db2.gz IHAGBVDOANELKZ-ZDUSSCGKSA-N 0 1 383.355 3.034 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccc(Br)c1 ZINC000291853749 565080979 /nfs/dbraw/zinc/08/09/79/565080979.db2.gz GTEHKJGNCRCTFZ-JKSUJKDBSA-N 0 1 395.341 3.123 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000183599901 565081123 /nfs/dbraw/zinc/08/11/23/565081123.db2.gz YHCBIHLRPPCUGZ-HNNXBMFYSA-N 0 1 385.302 3.195 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(CN2CCCC2)on1 ZINC000291860530 565081655 /nfs/dbraw/zinc/08/16/55/565081655.db2.gz DBENOMGWRGMAIV-UHFFFAOYSA-N 0 1 390.241 3.162 20 0 GGADMN OC[C@@]1(c2ccccc2)CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000291858361 565081753 /nfs/dbraw/zinc/08/17/53/565081753.db2.gz PGYRDOKWXHUUJA-RBUKOAKNSA-N 0 1 376.294 3.119 20 0 GGADMN FC(F)CN1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183608031 565082273 /nfs/dbraw/zinc/08/22/73/565082273.db2.gz SHVXVYQPHSEBKP-UHFFFAOYSA-N 0 1 390.265 3.393 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2ccc(C)c(Br)c2)n[nH]1 ZINC000291871038 565082722 /nfs/dbraw/zinc/08/27/22/565082722.db2.gz KPQGAYFESVXNMT-AWEZNQCLSA-N 0 1 393.285 3.389 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000156371762 565083237 /nfs/dbraw/zinc/08/32/37/565083237.db2.gz DPYVPOWOLDDHNN-AWEZNQCLSA-N 0 1 392.297 3.404 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)n[nH]1 ZINC000291883095 565083730 /nfs/dbraw/zinc/08/37/30/565083730.db2.gz LJDDWYGHAWEDOC-ZDUSSCGKSA-N 0 1 397.248 3.220 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000183630688 565083695 /nfs/dbraw/zinc/08/36/95/565083695.db2.gz RIUCHARLYZOYCJ-VIFPVBQESA-N 0 1 382.488 3.184 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2scc(C)c2Br)n[nH]1 ZINC000291883143 565083892 /nfs/dbraw/zinc/08/38/92/565083892.db2.gz LJQDQLFXDGVYRF-SNVBAGLBSA-N 0 1 399.314 3.451 20 0 GGADMN CC1(CO)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000183653676 565084821 /nfs/dbraw/zinc/08/48/21/565084821.db2.gz YBVGOXPCBXLARU-UHFFFAOYSA-N 0 1 378.270 3.074 20 0 GGADMN CCC1(O)CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000266575301 565085291 /nfs/dbraw/zinc/08/52/91/565085291.db2.gz FPELRKZRQFJDHI-AWEZNQCLSA-N 0 1 383.330 3.033 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)s1 ZINC000183660868 565086222 /nfs/dbraw/zinc/08/62/22/565086222.db2.gz YIISSTIUVCBWIC-JQWIXIFHSA-N 0 1 379.448 3.236 20 0 GGADMN Cc1csc(CCC(=O)NC[C@H]2CSCCN2Cc2ccccc2)n1 ZINC000369340557 565088731 /nfs/dbraw/zinc/08/87/31/565088731.db2.gz YAIWDVYDVUPDSZ-KRWDZBQOSA-N 0 1 375.563 3.118 20 0 GGADMN O=C1[C@H](NCc2cncc(Br)c2)CCN1c1ccccc1Cl ZINC000183705791 565089982 /nfs/dbraw/zinc/08/99/82/565089982.db2.gz NFMHOWKHFXJIAZ-CQSZACIVSA-N 0 1 380.673 3.393 20 0 GGADMN O=C1[C@@H](NCc2cncc(Br)c2)CCN1c1ccc(Cl)cc1 ZINC000183716668 565090858 /nfs/dbraw/zinc/09/08/58/565090858.db2.gz GKCRTTFPFAFYTQ-HNNXBMFYSA-N 0 1 380.673 3.393 20 0 GGADMN CCOC(=O)c1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000156496754 565091169 /nfs/dbraw/zinc/09/11/69/565091169.db2.gz VROXWJFIDWKNJX-UHFFFAOYSA-N 0 1 378.797 3.276 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000156500913 565091244 /nfs/dbraw/zinc/09/12/44/565091244.db2.gz RWDWDJVIABZFEI-AWEZNQCLSA-N 0 1 392.297 3.404 20 0 GGADMN COC(=O)c1cn(C2CCN([C@H](C)c3cccc(Br)c3)CC2)nn1 ZINC000183717588 565091425 /nfs/dbraw/zinc/09/14/25/565091425.db2.gz DAXVKCHQBMBDKW-GFCCVEGCSA-N 0 1 393.285 3.225 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)n[nH]1 ZINC000292018394 565092006 /nfs/dbraw/zinc/09/20/06/565092006.db2.gz OYJPNUSUTQHHTE-CYBMUJFWSA-N 0 1 397.248 3.220 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)[C@H]2SCCc3sccc32)n[nH]1 ZINC000292006135 565092291 /nfs/dbraw/zinc/09/22/91/565092291.db2.gz ODXOVWSRLFEGBZ-WFASDCNBSA-N 0 1 378.523 3.097 20 0 GGADMN COc1ccsc1S(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000156523021 565092280 /nfs/dbraw/zinc/09/22/80/565092280.db2.gz PCNBWKYWKXTFTH-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)[C@@H]2SCCc3sccc32)n[nH]1 ZINC000292006133 565092378 /nfs/dbraw/zinc/09/23/78/565092378.db2.gz ODXOVWSRLFEGBZ-SWLSCSKDSA-N 0 1 378.523 3.097 20 0 GGADMN Cc1nnc(SCCC(=O)NCCc2nc3cc(Cl)ccc3s2)[nH]1 ZINC000266824490 565092642 /nfs/dbraw/zinc/09/26/42/565092642.db2.gz LHSCOUINJROFIZ-UHFFFAOYSA-N 0 1 381.914 3.217 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)n[nH]1 ZINC000292035445 565093286 /nfs/dbraw/zinc/09/32/86/565093286.db2.gz QNSSLDWXJBWUML-CYBMUJFWSA-N 0 1 397.248 3.220 20 0 GGADMN C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034019 565093770 /nfs/dbraw/zinc/09/37/70/565093770.db2.gz XAZJYOIQSJORQD-SMDDNHRTSA-N 0 1 392.297 3.115 20 0 GGADMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034019 565093776 /nfs/dbraw/zinc/09/37/76/565093776.db2.gz XAZJYOIQSJORQD-SMDDNHRTSA-N 0 1 392.297 3.115 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[nH]1 ZINC000266888509 565095206 /nfs/dbraw/zinc/09/52/06/565095206.db2.gz VSEZVHQZLRIPRH-GFCCVEGCSA-N 0 1 382.873 3.055 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 ZINC000266888509 565095211 /nfs/dbraw/zinc/09/52/11/565095211.db2.gz VSEZVHQZLRIPRH-GFCCVEGCSA-N 0 1 382.873 3.055 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000292067338 565095848 /nfs/dbraw/zinc/09/58/48/565095848.db2.gz CMARGYZXFBDNEM-SJKOYZFVSA-N 0 1 393.281 3.108 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cccc(Br)c2F)n[nH]1 ZINC000292069643 565095954 /nfs/dbraw/zinc/09/59/54/565095954.db2.gz SRALVUYPMYPLAT-LBPRGKRZSA-N 0 1 397.248 3.220 20 0 GGADMN CC(C)N1CC[C@@H](N2CCC(Oc3cccc(Br)c3)CC2)C1=O ZINC000183827524 565096321 /nfs/dbraw/zinc/09/63/21/565096321.db2.gz RPXAUUKLCJUUQH-QGZVFWFLSA-N 0 1 381.314 3.302 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000266940340 565096438 /nfs/dbraw/zinc/09/64/38/565096438.db2.gz AUJJVRDZLNDZKL-UHFFFAOYSA-N 0 1 394.547 3.184 20 0 GGADMN Clc1ccc(-n2cc(CNCCCOC[C@@H]3CCOC3)nn2)cc1Cl ZINC000183807546 565097230 /nfs/dbraw/zinc/09/72/30/565097230.db2.gz VATNGQOTNPAMHF-ZDUSSCGKSA-N 0 1 385.295 3.107 20 0 GGADMN CS(=O)(=O)C[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000292084982 565097365 /nfs/dbraw/zinc/09/73/65/565097365.db2.gz CUDVMEDIKDXTKL-CQSZACIVSA-N 0 1 379.444 3.231 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(Br)cn2C)n[nH]1 ZINC000292092499 565097642 /nfs/dbraw/zinc/09/76/42/565097642.db2.gz UYXLZJKAQPPSSS-GFCCVEGCSA-N 0 1 380.290 3.397 20 0 GGADMN CC(C)Sc1n[nH]c(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000156630177 565097706 /nfs/dbraw/zinc/09/77/06/565097706.db2.gz ZIMPLWDBJMGKCX-UHFFFAOYSA-N 0 1 380.417 3.266 20 0 GGADMN CCOc1cc2c(cc1NC(=O)CSc1n[nH]c(=S)s1)O[C@@H](C)C2 ZINC000266965471 565098053 /nfs/dbraw/zinc/09/80/53/565098053.db2.gz JLVHIVRRPJEPFV-QMMMGPOBSA-N 0 1 383.520 3.280 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cccc(Br)c2C)n[nH]1 ZINC000292096980 565099104 /nfs/dbraw/zinc/09/91/04/565099104.db2.gz VGKIXFYWOXEIPS-CQSZACIVSA-N 0 1 393.285 3.389 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000156653100 565099169 /nfs/dbraw/zinc/09/91/69/565099169.db2.gz ZQDGXGFXNHNRJK-NSHDSACASA-N 0 1 392.714 3.386 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000156659917 565099317 /nfs/dbraw/zinc/09/93/17/565099317.db2.gz NXYUTTDRMYZFHG-AWEZNQCLSA-N 0 1 392.297 3.404 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCCCOCCc1ccccc1 ZINC000266980324 565099674 /nfs/dbraw/zinc/09/96/74/565099674.db2.gz FTPRSZFORKGNES-UHFFFAOYSA-N 0 1 383.564 3.075 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000156657470 565099775 /nfs/dbraw/zinc/09/97/75/565099775.db2.gz GTWPUYPIUTWJBS-DYVFJYSZSA-N 0 1 389.293 3.405 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CSc2n[nH]c(=S)s2)cc1OC ZINC000266979281 565099858 /nfs/dbraw/zinc/09/98/58/565099858.db2.gz FENDEFMNAIEPPK-VIFPVBQESA-N 0 1 385.536 3.122 20 0 GGADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000266997880 565099875 /nfs/dbraw/zinc/09/98/75/565099875.db2.gz XGCMMICYXPTVAB-VIFPVBQESA-N 0 1 394.547 3.145 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cccc(C)c2Br)n[nH]1 ZINC000292127699 565099886 /nfs/dbraw/zinc/09/98/86/565099886.db2.gz XHNBFISABPGYFV-CYBMUJFWSA-N 0 1 393.285 3.389 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)c1cccc(OC(F)(F)F)c1 ZINC000267007864 565100945 /nfs/dbraw/zinc/10/09/45/565100945.db2.gz MCBSYTZYSJAULC-UHFFFAOYSA-N 0 1 381.426 3.481 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2)C[C@@H](C)O1 ZINC000267005518 565101094 /nfs/dbraw/zinc/10/10/94/565101094.db2.gz LGXUWAXHATVJMF-GHMZBOCLSA-N 0 1 396.563 3.171 20 0 GGADMN COc1cc(OC)c(NC(=O)CSc2n[nH]c(=S)s2)cc1Cl ZINC000267003368 565101279 /nfs/dbraw/zinc/10/12/79/565101279.db2.gz ZISMOOUOWKKPPL-UHFFFAOYSA-N 0 1 377.900 3.228 20 0 GGADMN CCOCCOCc1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000267011764 565101583 /nfs/dbraw/zinc/10/15/83/565101583.db2.gz NKDHDMBYUNAPOB-UHFFFAOYSA-N 0 1 385.536 3.111 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000267032816 565102514 /nfs/dbraw/zinc/10/25/14/565102514.db2.gz NDKZSSYKLVABBY-UHFFFAOYSA-N 0 1 382.302 3.086 20 0 GGADMN CN(Cc1cccc(Br)c1)C(=O)CSc1n[nH]c(=S)s1 ZINC000267061675 565104316 /nfs/dbraw/zinc/10/43/16/565104316.db2.gz XKJZXRMKVDPTLF-UHFFFAOYSA-N 0 1 390.353 3.340 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(N2CCSCC2)cc1 ZINC000267114689 565105270 /nfs/dbraw/zinc/10/52/70/565105270.db2.gz NHPRJUXKSRWYTO-UHFFFAOYSA-N 0 1 384.577 3.111 20 0 GGADMN CCOc1cc(CCCNC(=O)CSc2n[nH]c(=S)s2)ccc1OC ZINC000267149245 565106284 /nfs/dbraw/zinc/10/62/84/565106284.db2.gz RJIAJABGICUAAP-UHFFFAOYSA-N 0 1 399.563 3.075 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000267127963 565106419 /nfs/dbraw/zinc/10/64/19/565106419.db2.gz LCBUJCINFQXPNT-GFCCVEGCSA-N 0 1 378.270 3.338 20 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Cc1[nH]ncc1CNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000292508921 565120164 /nfs/dbraw/zinc/12/01/64/565120164.db2.gz RMPXJACOHVLRLC-UHFFFAOYSA-N 0 1 376.258 3.004 20 0 GGADMN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1csc(N(C)C)n1 ZINC000157134365 565120317 /nfs/dbraw/zinc/12/03/17/565120317.db2.gz LJYYBBBZYTZWKV-CYBMUJFWSA-N 0 1 380.945 3.389 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1csc(N(C)C)n1 ZINC000157151635 565121589 /nfs/dbraw/zinc/12/15/89/565121589.db2.gz VBDZTFIPPYCLIH-LLVKDONJSA-N 0 1 397.342 3.479 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Br)c2)n[nH]1 ZINC000292561737 565122399 /nfs/dbraw/zinc/12/23/99/565122399.db2.gz FGMOBRGHDSMCOB-LBPRGKRZSA-N 0 1 394.273 3.159 20 0 GGADMN COc1ccsc1S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000157193428 565122955 /nfs/dbraw/zinc/12/29/55/565122955.db2.gz DJBFMQIXVBDOKW-ZDUSSCGKSA-N 0 1 386.564 3.009 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(C)c1 ZINC000184254058 565123736 /nfs/dbraw/zinc/12/37/36/565123736.db2.gz 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565161847 /nfs/dbraw/zinc/16/18/47/565161847.db2.gz LJIMSPQYYXWFGT-UHFFFAOYSA-N 0 1 393.285 3.058 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3nn(C)cc3Br)c2C1 ZINC000293315297 565161982 /nfs/dbraw/zinc/16/19/82/565161982.db2.gz IKARWGSSUJEUFM-UHFFFAOYSA-N 0 1 377.286 3.407 20 0 GGADMN Cc1c(Br)scc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000184924739 565165954 /nfs/dbraw/zinc/16/59/54/565165954.db2.gz WWJVGCLOPXXOSE-GHMZBOCLSA-N 0 1 375.332 3.048 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000268766429 565166191 /nfs/dbraw/zinc/16/61/91/565166191.db2.gz BXPJDBQQLBEBNB-NSHDSACASA-N 0 1 376.265 3.081 20 0 GGADMN Cn1cc(Br)c(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 ZINC000293402602 565166934 /nfs/dbraw/zinc/16/69/34/565166934.db2.gz RJYGFEBUCZOTQJ-IIDMSEBBSA-N 0 1 376.298 3.187 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2ccccc2OC(F)F)c(C)s1 ZINC000158418276 565168903 /nfs/dbraw/zinc/16/89/03/565168903.db2.gz NWVZYUNORXAXBI-UHFFFAOYSA-N 0 1 390.477 3.034 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)Cn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268829701 565169272 /nfs/dbraw/zinc/16/92/72/565169272.db2.gz QRLYIOLCXMVMTC-STQMWFEESA-N 0 1 389.301 3.274 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184977682 565169299 /nfs/dbraw/zinc/16/92/99/565169299.db2.gz GZBKBWVQVZMCKO-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)Cn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268829696 565169498 /nfs/dbraw/zinc/16/94/98/565169498.db2.gz QRLYIOLCXMVMTC-OLZOCXBDSA-N 0 1 389.301 3.274 20 0 GGADMN Cn1cc(Br)c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)n1 ZINC000293479601 565169958 /nfs/dbraw/zinc/16/99/58/565169958.db2.gz YABUOFZDWWRBKU-CYBMUJFWSA-N 0 1 390.241 3.163 20 0 GGADMN Cc1c(Br)scc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000185015522 565172005 /nfs/dbraw/zinc/17/20/05/565172005.db2.gz BIPQNZPIAJDTJM-UHFFFAOYSA-N 0 1 387.343 3.003 20 0 GGADMN CSCc1cnc(CNC[C@H](c2ccc(C)cc2)N2CCOCC2)s1 ZINC000293518496 565172278 /nfs/dbraw/zinc/17/22/78/565172278.db2.gz IMJMMGWRGTTZAU-GOSISDBHSA-N 0 1 377.579 3.478 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccsc1 ZINC000268954697 565173290 /nfs/dbraw/zinc/17/32/90/565173290.db2.gz UFLOKUAMVYOLQV-SECBINFHSA-N 0 1 379.433 3.129 20 0 GGADMN Cc1c(I)cccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269049088 565176101 /nfs/dbraw/zinc/17/61/01/565176101.db2.gz ZTKHLGUGDSEVLC-CYBMUJFWSA-N 0 1 381.217 3.130 20 0 GGADMN CN(CCc1ccc(Br)cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269055473 565176813 /nfs/dbraw/zinc/17/68/13/565176813.db2.gz XDKRARBSMKEQBP-OAHLLOKOSA-N 0 1 377.286 3.434 20 0 GGADMN CCc1nc(CN2CCN([C@@H](C)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000158683745 565177076 /nfs/dbraw/zinc/17/70/76/565177076.db2.gz XEKGVFFLPXAYQP-ZDUSSCGKSA-N 0 1 378.318 3.008 20 0 GGADMN Cc1nonc1CNC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293625986 565177149 /nfs/dbraw/zinc/17/71/49/565177149.db2.gz QRGJAJSWARLTJR-UHFFFAOYSA-N 0 1 384.249 3.161 20 0 GGADMN Brc1ccn2cc(CN3CC4(CCOCC4)[C@H]3C3CC3)nc2c1 ZINC000293653740 565178442 /nfs/dbraw/zinc/17/84/42/565178442.db2.gz NFTXRONXRPCCBU-QGZVFWFLSA-N 0 1 376.298 3.488 20 0 GGADMN Brc1ccn2cc(CN3CC4(CCOCC4)[C@@H]3C3CC3)nc2c1 ZINC000293653739 565178866 /nfs/dbraw/zinc/17/88/66/565178866.db2.gz NFTXRONXRPCCBU-KRWDZBQOSA-N 0 1 376.298 3.488 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000269174440 565179825 /nfs/dbraw/zinc/17/98/25/565179825.db2.gz YZKIUTYZJJWYMW-RYUDHWBXSA-N 0 1 385.580 3.449 20 0 GGADMN CC(C)(CO)[C@H](NCc1cc2c(c(Br)c1)OCO2)c1cccnc1 ZINC000293698703 565179877 /nfs/dbraw/zinc/17/98/77/565179877.db2.gz RHYFNBGRQWGEQR-QGZVFWFLSA-N 0 1 393.281 3.422 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)c1 ZINC000185140504 565181070 /nfs/dbraw/zinc/18/10/70/565181070.db2.gz FHVFKZJULZWZLF-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN CSCc1cnc(CN[C@H](Cc2ccccc2)CN2CCOCC2)s1 ZINC000293720949 565181293 /nfs/dbraw/zinc/18/12/93/565181293.db2.gz YMJKZJJEAIWUTA-QGZVFWFLSA-N 0 1 377.579 3.039 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000158795848 565182158 /nfs/dbraw/zinc/18/21/58/565182158.db2.gz YXDNJHOLVFRTIU-UHFFFAOYSA-N 0 1 380.341 3.129 20 0 GGADMN O[C@@H](CN[C@H](c1cccs1)c1nnc[nH]1)COc1cccc(Cl)c1Cl ZINC000293746818 565182679 /nfs/dbraw/zinc/18/26/79/565182679.db2.gz NXMDNOUFDZAIIN-ZUZCIYMTSA-N 0 1 399.303 3.292 20 0 GGADMN O=C(NCc1ccc(Cl)s1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185170942 565182882 /nfs/dbraw/zinc/18/28/82/565182882.db2.gz VLKKFVSADWVSRM-UHFFFAOYSA-N 0 1 377.857 3.098 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(C3CCOCC3)CC2)c(Br)c1 ZINC000269274453 565183827 /nfs/dbraw/zinc/18/38/27/565183827.db2.gz NCKQOXRCZHBFTD-UHFFFAOYSA-N 0 1 396.329 3.394 20 0 GGADMN CCN(C)C(=O)CNCc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000185178950 565184784 /nfs/dbraw/zinc/18/47/84/565184784.db2.gz MXFXSNJQYXQMHD-UHFFFAOYSA-N 0 1 393.329 3.326 20 0 GGADMN CCOc1cc(CNCC(=O)N(C)CC)cc(Br)c1OC(F)F ZINC000185184126 565185293 /nfs/dbraw/zinc/18/52/93/565185293.db2.gz OREHVKKYYKCGQD-UHFFFAOYSA-N 0 1 395.244 3.017 20 0 GGADMN COc1cc(Br)c(CNCc2cnccc2N(C)C)cc1OC ZINC000185187862 565185296 /nfs/dbraw/zinc/18/52/96/565185296.db2.gz OBTUVQYOMUWNJF-UHFFFAOYSA-N 0 1 380.286 3.217 20 0 GGADMN Cc1ncc(CN[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)s1 ZINC000185189882 565185371 /nfs/dbraw/zinc/18/53/71/565185371.db2.gz IPOWTKUFTVWPDG-OAHLLOKOSA-N 0 1 380.311 3.418 20 0 GGADMN Cc1cc(N2CC[C@H](NCc3cccc(O)c3)C2=O)ccc1Br ZINC000185187896 565185709 /nfs/dbraw/zinc/18/57/09/565185709.db2.gz SVWBRSHFOBMDIO-KRWDZBQOSA-N 0 1 375.266 3.358 20 0 GGADMN Cc1cc(N2CC[C@@H](NCc3cnc4ccccn34)C2=O)ccc1Br ZINC000185187702 565186231 /nfs/dbraw/zinc/18/62/31/565186231.db2.gz KGCWAUHDMAUDIM-QGZVFWFLSA-N 0 1 399.292 3.300 20 0 GGADMN Cc1cc(N2CC[C@@H](NCc3cccc(O)c3)C2=O)ccc1Br ZINC000185187912 565186258 /nfs/dbraw/zinc/18/62/58/565186258.db2.gz SVWBRSHFOBMDIO-QGZVFWFLSA-N 0 1 375.266 3.358 20 0 GGADMN CCCOc1c(Cl)cc(CN[C@H]2CCS(=O)(=O)[C@H]2C)cc1OCC ZINC000293861662 565188599 /nfs/dbraw/zinc/18/85/99/565188599.db2.gz IHULPVGKOCPMSS-WFASDCNBSA-N 0 1 375.918 3.193 20 0 GGADMN COCCOCCCCNCc1ncc(Br)cc1Br ZINC000158962659 565189332 /nfs/dbraw/zinc/18/93/32/565189332.db2.gz JEIUQCOYQLEUEL-UHFFFAOYSA-N 0 1 396.123 3.139 20 0 GGADMN Brc1cc(CN[C@H](CN2CCOCC2)c2ccccc2)ccn1 ZINC000293931217 565190987 /nfs/dbraw/zinc/19/09/87/565190987.db2.gz YUSHEZNSHLWPIH-QGZVFWFLSA-N 0 1 376.298 3.007 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)sc1C ZINC000185264683 565191923 /nfs/dbraw/zinc/19/19/23/565191923.db2.gz ARLHXCRXJGXFFI-GFCCVEGCSA-N 0 1 386.470 3.115 20 0 GGADMN COc1ccc(Br)c(CC(=O)Nc2ccccc2-c2nnc[nH]2)c1 ZINC000371409012 565192278 /nfs/dbraw/zinc/19/22/78/565192278.db2.gz YFRIKZLWMVPDCO-UHFFFAOYSA-N 0 1 387.237 3.424 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000293964056 565192961 /nfs/dbraw/zinc/19/29/61/565192961.db2.gz RHEXTGFGZVTNKZ-HNNXBMFYSA-N 0 1 391.313 3.371 20 0 GGADMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(F)cc2Br)cn1 ZINC000371461306 565195163 /nfs/dbraw/zinc/19/51/63/565195163.db2.gz XBBVADFNSFDORQ-NVXWUHKLSA-N 0 1 382.277 3.410 20 0 GGADMN CSCc1cnc(CNC[C@@H](c2cccc(C)c2)N2CCOCC2)s1 ZINC000294043442 565195417 /nfs/dbraw/zinc/19/54/17/565195417.db2.gz IWUFCSHKQIUORM-SFHVURJKSA-N 0 1 377.579 3.478 20 0 GGADMN CSc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000185340031 565195835 /nfs/dbraw/zinc/19/58/35/565195835.db2.gz MSCJCAVULRUJQR-UHFFFAOYSA-N 0 1 376.503 3.427 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000269630958 565196151 /nfs/dbraw/zinc/19/61/51/565196151.db2.gz LGLICIRUJVRPCV-OAHLLOKOSA-N 0 1 383.516 3.216 20 0 GGADMN CCn1cc([C@H](C)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185359080 565197096 /nfs/dbraw/zinc/19/70/96/565197096.db2.gz JFZPRRUZDJDADY-GUYCJALGSA-N 0 1 391.313 3.430 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269720313 565197560 /nfs/dbraw/zinc/19/75/60/565197560.db2.gz SZCWUBDUHGNQAI-STQMWFEESA-N 0 1 399.538 3.173 20 0 GGADMN O=C1[C@@H](N2CCC(c3nc[nH]n3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000371533427 565198734 /nfs/dbraw/zinc/19/87/34/565198734.db2.gz GVAKTWAQFNKTQV-HNNXBMFYSA-N 0 1 380.279 3.096 20 0 GGADMN C[C@](N)(C(=O)NCCc1ccc(Cl)nc1)c1ccc(Br)cc1 ZINC000294129951 565199823 /nfs/dbraw/zinc/19/98/23/565199823.db2.gz PPLZAGBXDGASBT-MRXNPFEDSA-N 0 1 382.689 3.030 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccnc(Br)c2)cc1 ZINC000294182053 565202035 /nfs/dbraw/zinc/20/20/35/565202035.db2.gz QMQZPBURWXZJLD-LBPRGKRZSA-N 0 1 383.311 3.489 20 0 GGADMN COc1ccc(Br)c(CN[C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269901574 565202385 /nfs/dbraw/zinc/20/23/85/565202385.db2.gz FSEXFRRHHWMLLG-YJBOKZPZSA-N 0 1 380.282 3.032 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CSc1nnc(C)[nH]1 ZINC000185453245 565202567 /nfs/dbraw/zinc/20/25/67/565202567.db2.gz XACMVMLILVFLLM-ZDUSSCGKSA-N 0 1 397.342 3.447 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)CSc1nc(C)n[nH]1 ZINC000185453245 565202569 /nfs/dbraw/zinc/20/25/69/565202569.db2.gz XACMVMLILVFLLM-ZDUSSCGKSA-N 0 1 397.342 3.447 20 0 GGADMN CC(C)Oc1cc(CN(C(=O)CSc2n[nH]c(=S)s2)C2CC2)ccn1 ZINC000269937020 565203650 /nfs/dbraw/zinc/20/36/50/565203650.db2.gz SMADZVOPJWXFMN-UHFFFAOYSA-N 0 1 396.563 3.292 20 0 GGADMN Clc1cccc(-n2cc(CNCCCOC3CCOCC3)nn2)c1Cl ZINC000269983397 565204856 /nfs/dbraw/zinc/20/48/56/565204856.db2.gz NMNJICFSOYTCNJ-UHFFFAOYSA-N 0 1 385.295 3.249 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cncc(Cl)c1 ZINC000270025360 565207238 /nfs/dbraw/zinc/20/72/38/565207238.db2.gz XLCBESUOGXJDCA-SJLPKXTDSA-N 0 1 377.897 3.040 20 0 GGADMN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCN2CCCC[C@H]2C1 ZINC000185565321 565207791 /nfs/dbraw/zinc/20/77/91/565207791.db2.gz NHDXZQQVRKAKCY-INIZCTEOSA-N 0 1 391.313 3.310 20 0 GGADMN Oc1cc(F)cc(CNCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000185570922 565208637 /nfs/dbraw/zinc/20/86/37/565208637.db2.gz COAJFJIBXYSQIU-UHFFFAOYSA-N 0 1 377.217 3.369 20 0 GGADMN Oc1cc(F)cc(CNCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000185570922 565208639 /nfs/dbraw/zinc/20/86/39/565208639.db2.gz COAJFJIBXYSQIU-UHFFFAOYSA-N 0 1 377.217 3.369 20 0 GGADMN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCN(CC2CC2)CC1 ZINC000185572113 565208762 /nfs/dbraw/zinc/20/87/62/565208762.db2.gz KVRWMQQLYUJPFD-UHFFFAOYSA-N 0 1 391.313 3.168 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000294357802 565209992 /nfs/dbraw/zinc/20/99/92/565209992.db2.gz QXWVJCBLTHGKHB-NSHDSACASA-N 0 1 378.548 3.325 20 0 GGADMN CSc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccn2)cc1Cl ZINC000185603486 565210755 /nfs/dbraw/zinc/21/07/55/565210755.db2.gz MSEUUTGBNCVUCV-UHFFFAOYSA-N 0 1 399.969 3.209 20 0 GGADMN C[C@@H]1OCC[C@]1(O)CN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294384111 565210991 /nfs/dbraw/zinc/21/09/91/565210991.db2.gz RNPJWUGHCKXBOA-JECHBYEQSA-N 0 1 384.245 3.400 20 0 GGADMN C[S@](=O)C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000159596522 565211604 /nfs/dbraw/zinc/21/16/04/565211604.db2.gz GNGOZOCZGVMLGE-NPMXOYFQSA-N 0 1 396.306 3.387 20 0 GGADMN O=S(=O)(Nc1ncccn1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000185644009 565213968 /nfs/dbraw/zinc/21/39/68/565213968.db2.gz SNWKPXGMIDXGPI-UHFFFAOYSA-N 0 1 382.161 3.059 20 0 GGADMN NC(=O)[C@H](NC1CCC2(CCOCC2)CC1)c1ccc(Br)cc1F ZINC000371902496 565214480 /nfs/dbraw/zinc/21/44/80/565214480.db2.gz UUKTXXDSIZIIGZ-MRXNPFEDSA-N 0 1 399.304 3.444 20 0 GGADMN NC(=O)[C@@H](NC1CCC2(CCOCC2)CC1)c1ccc(Br)cc1F ZINC000371902495 565214573 /nfs/dbraw/zinc/21/45/73/565214573.db2.gz UUKTXXDSIZIIGZ-INIZCTEOSA-N 0 1 399.304 3.444 20 0 GGADMN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000371922935 565215080 /nfs/dbraw/zinc/21/50/80/565215080.db2.gz KOFDQLWKNICBRS-UHFFFAOYSA-N 0 1 395.699 3.333 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000371919612 565215277 /nfs/dbraw/zinc/21/52/77/565215277.db2.gz XATYWLAPUANGHM-UHFFFAOYSA-N 0 1 394.806 3.045 20 0 GGADMN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC(c2nc[nH]n2)CC1 ZINC000371923698 565215490 /nfs/dbraw/zinc/21/54/90/565215490.db2.gz KPDNOZZAXWSQBZ-UHFFFAOYSA-N 0 1 392.232 3.207 20 0 GGADMN COC[C@@H]1CCN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000270356510 565215542 /nfs/dbraw/zinc/21/55/42/565215542.db2.gz XCJMDHUQOFVPSG-GFCCVEGCSA-N 0 1 398.244 3.415 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)ccc1Br ZINC000371918622 565215699 /nfs/dbraw/zinc/21/56/99/565215699.db2.gz OBPWIQRQIDNOEI-LBPRGKRZSA-N 0 1 392.301 3.082 20 0 GGADMN C[C@H](Cc1ccccc1Br)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000371936746 565217004 /nfs/dbraw/zinc/21/70/04/565217004.db2.gz GIHGEHRBDLCICJ-OCCSQVGLSA-N 0 1 392.301 3.087 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1Br ZINC000185708116 565217168 /nfs/dbraw/zinc/21/71/68/565217168.db2.gz GOJXAOCYYRYAQD-UHFFFAOYSA-N 0 1 386.271 3.055 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC2CCS(=O)(=O)CC2)n1 ZINC000270423460 565218460 /nfs/dbraw/zinc/21/84/60/565218460.db2.gz SSGUKQXZEFRFFX-UHFFFAOYSA-N 0 1 387.914 3.051 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)C2)CC1 ZINC000294591045 565218645 /nfs/dbraw/zinc/21/86/45/565218645.db2.gz LJYQYSQRSVCEIW-CYBMUJFWSA-N 0 1 390.742 3.499 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1ccsc1 ZINC000294653930 565222217 /nfs/dbraw/zinc/22/22/17/565222217.db2.gz CERURPGOFABRHT-LLVKDONJSA-N 0 1 383.311 3.314 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000270582304 565222281 /nfs/dbraw/zinc/22/22/81/565222281.db2.gz QKUPSCLZFLKOAJ-ZETCQYMHSA-N 0 1 382.795 3.079 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000270582301 565222768 /nfs/dbraw/zinc/22/27/68/565222768.db2.gz QKUPSCLZFLKOAJ-SSDOTTSWSA-N 0 1 382.795 3.079 20 0 GGADMN Cc1cccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1I ZINC000270605859 565223220 /nfs/dbraw/zinc/22/32/20/565223220.db2.gz DOPFAAFEOZDBRA-SNVBAGLBSA-N 0 1 398.248 3.332 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 ZINC000270588886 565223241 /nfs/dbraw/zinc/22/32/41/565223241.db2.gz SFEOLVVTUCBVHT-QMMMGPOBSA-N 0 1 380.367 3.126 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)n[nH]1 ZINC000270606485 565223581 /nfs/dbraw/zinc/22/35/81/565223581.db2.gz FOIFRDUVJNPIJH-JGVFFNPUSA-N 0 1 376.408 3.354 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270653197 565225000 /nfs/dbraw/zinc/22/50/00/565225000.db2.gz MJMYNXBBMKGVQJ-SECBINFHSA-N 0 1 381.889 3.119 20 0 GGADMN CC(C)c1nc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)n[nH]1 ZINC000294713388 565225137 /nfs/dbraw/zinc/22/51/37/565225137.db2.gz DUOJZIHSICSJMC-UHFFFAOYSA-N 0 1 375.274 3.371 20 0 GGADMN COCC1=CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000185855145 565225262 /nfs/dbraw/zinc/22/52/62/565225262.db2.gz VKEUAVCNVDNIDO-CQSZACIVSA-N 0 1 381.314 3.075 20 0 GGADMN CCc1nc([C@@H](C)NCc2nc(-c3ccc(Br)cc3)c[nH]2)n[nH]1 ZINC000270639328 565225377 /nfs/dbraw/zinc/22/53/77/565225377.db2.gz HOQCSOOEJCYRFU-SNVBAGLBSA-N 0 1 375.274 3.371 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000270634936 565225407 /nfs/dbraw/zinc/22/54/07/565225407.db2.gz JTSFEQZLNFSECX-MRVPVSSYSA-N 0 1 376.408 3.006 20 0 GGADMN O=C(CCCNC(=O)C1CC1)Nc1cc(Br)cc(Cl)c1O ZINC000270695057 565225701 /nfs/dbraw/zinc/22/57/01/565225701.db2.gz YUDVZHCPKAIFEW-UHFFFAOYSA-N 0 1 375.650 3.053 20 0 GGADMN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1c(O)cccc1F ZINC000185873706 565226132 /nfs/dbraw/zinc/22/61/32/565226132.db2.gz KCIMCGOSNLDDES-HNNXBMFYSA-N 0 1 396.212 3.280 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)n[nH]1 ZINC000270726032 565226328 /nfs/dbraw/zinc/22/63/28/565226328.db2.gz ITTNKTHIXHNSSV-JTQLQIEISA-N 0 1 383.315 3.240 20 0 GGADMN CCC[C@H]1CCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000185867905 565226334 /nfs/dbraw/zinc/22/63/34/565226334.db2.gz DZPRTMKEFJQVJO-AWEZNQCLSA-N 0 1 396.329 3.158 20 0 GGADMN COc1ccccc1C[C@H](NCc1csc(CS(C)(=O)=O)n1)C(C)C ZINC000185889422 565226553 /nfs/dbraw/zinc/22/65/53/565226553.db2.gz TXQCWSPTFXNQOY-INIZCTEOSA-N 0 1 382.551 3.053 20 0 GGADMN O=C(CS(=O)(=O)C1CCCC1)Nc1cc(Br)cc(Cl)c1O ZINC000270676903 565226586 /nfs/dbraw/zinc/22/65/86/565226586.db2.gz SUTGHLRINRJANK-UHFFFAOYSA-N 0 1 396.690 3.104 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)n[nH]1 ZINC000270730725 565226880 /nfs/dbraw/zinc/22/68/80/565226880.db2.gz JQCJAXAPEJYAEB-MNOVXSKESA-N 0 1 393.285 3.216 20 0 GGADMN CCOC(=O)[C@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000185901432 565227216 /nfs/dbraw/zinc/22/72/16/565227216.db2.gz BORPZVUAYLRTEV-GFCCVEGCSA-N 0 1 392.253 3.007 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)n[nH]1 ZINC000270726133 565227259 /nfs/dbraw/zinc/22/72/59/565227259.db2.gz IWCWGAIFBZRCAR-MRVPVSSYSA-N 0 1 387.665 3.039 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Br)n[nH]1 ZINC000270759089 565227412 /nfs/dbraw/zinc/22/74/12/565227412.db2.gz OGAZUJLKLCNBIQ-GHMZBOCLSA-N 0 1 381.274 3.335 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)n[nH]1 ZINC000270730729 565227797 /nfs/dbraw/zinc/22/77/97/565227797.db2.gz JQCJAXAPEJYAEB-QWRGUYRKSA-N 0 1 393.285 3.216 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2cc(Br)ccc2F)n[nH]1 ZINC000270795785 565228319 /nfs/dbraw/zinc/22/83/19/565228319.db2.gz WAIQBUONACUHDB-SECBINFHSA-N 0 1 384.253 3.390 20 0 GGADMN Cn1ncc(Br)c1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000294790444 565228204 /nfs/dbraw/zinc/22/82/04/565228204.db2.gz HNGJZACVIGAXCQ-CYBMUJFWSA-N 0 1 390.241 3.163 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000270806724 565228943 /nfs/dbraw/zinc/22/89/43/565228943.db2.gz XJDWVTSAIUFNTJ-NSHDSACASA-N 0 1 390.292 3.001 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000270810505 565229712 /nfs/dbraw/zinc/22/97/12/565229712.db2.gz XYMIVWYKYPWRGJ-VIFPVBQESA-N 0 1 376.258 3.031 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c(C)c1 ZINC000185959778 565230932 /nfs/dbraw/zinc/23/09/32/565230932.db2.gz DSSQRBSNOUHUBC-UHFFFAOYSA-N 0 1 377.388 3.255 20 0 GGADMN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C[C@@H]1CCNC(=O)CC1 ZINC000294849704 565232199 /nfs/dbraw/zinc/23/21/99/565232199.db2.gz BAWQNGNGWWFSRY-QWQRMKEZSA-N 0 1 381.314 3.127 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(C)cc(Br)c1 ZINC000185976072 565232294 /nfs/dbraw/zinc/23/22/94/565232294.db2.gz ZAGPAABHEGRUQU-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1ccccc1 ZINC000294866476 565233422 /nfs/dbraw/zinc/23/34/22/565233422.db2.gz WEMWEQUUJFBSLC-CYBMUJFWSA-N 0 1 377.282 3.252 20 0 GGADMN COC(=O)c1coc([C@@H](C)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000294896595 565234862 /nfs/dbraw/zinc/23/48/62/565234862.db2.gz FHKVLRRAUUVJTJ-GFCCVEGCSA-N 0 1 385.869 3.234 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(CCC(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000270993266 565234968 /nfs/dbraw/zinc/23/49/68/565234968.db2.gz BMTKYVVLUJFHRZ-GFCCVEGCSA-N 0 1 386.323 3.148 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2cscn2)c1 ZINC000271160971 565240216 /nfs/dbraw/zinc/24/02/16/565240216.db2.gz SCAJCTXKJJWWIP-NSHDSACASA-N 0 1 398.326 3.385 20 0 GGADMN CCN(C[C@@H]1CCN(Cc2c(C)nc3sc(C)nn23)C1)CC(F)(F)F ZINC000271171029 565240830 /nfs/dbraw/zinc/24/08/30/565240830.db2.gz DRHQJHFBONLCIG-ZDUSSCGKSA-N 0 1 375.464 3.114 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccncc2Br)N(C)C)c1 ZINC000271168153 565241392 /nfs/dbraw/zinc/24/13/92/565241392.db2.gz LGFHEMIXCDPTBI-MRXNPFEDSA-N 0 1 393.285 3.277 20 0 GGADMN NC(=O)CCC1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000271183052 565241452 /nfs/dbraw/zinc/24/14/52/565241452.db2.gz INKJNERUPQTQQW-UHFFFAOYSA-N 0 1 391.313 3.317 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271196663 565243084 /nfs/dbraw/zinc/24/30/84/565243084.db2.gz YLMZISXQVVCDRN-HNNXBMFYSA-N 0 1 383.279 3.298 20 0 GGADMN COc1ccsc1[C@@H](C)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000186153756 565243197 /nfs/dbraw/zinc/24/31/97/565243197.db2.gz QFIVRKQMSDQXBG-CQSZACIVSA-N 0 1 382.551 3.435 20 0 GGADMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C[C@H]1C ZINC000271300900 565247158 /nfs/dbraw/zinc/24/71/58/565247158.db2.gz BYQUISVMAWTMBB-NXEZZACHSA-N 0 1 396.228 3.273 20 0 GGADMN Cc1nc(Br)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000295146081 565248191 /nfs/dbraw/zinc/24/81/91/565248191.db2.gz DQWUOHPVYVGKSL-UHFFFAOYSA-N 0 1 395.278 3.472 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNCc2cn3ccsc3n2)CC1 ZINC000271325209 565248763 /nfs/dbraw/zinc/24/87/63/565248763.db2.gz DXBNEEPWTDZZJO-UHFFFAOYSA-N 0 1 375.929 3.091 20 0 GGADMN Cc1n[nH]c(CCNC(=O)C(C)(C)Sc2ccc(Br)cc2)n1 ZINC000271355332 565249914 /nfs/dbraw/zinc/24/99/14/565249914.db2.gz XVEFUJZWVZQSMP-UHFFFAOYSA-N 0 1 383.315 3.105 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1cnn(-c2ccccc2Cl)c1 ZINC000372706058 565250070 /nfs/dbraw/zinc/25/00/70/565250070.db2.gz WMAZOKAFFOHDFA-UHFFFAOYSA-N 0 1 383.911 3.397 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCc2c(F)ccc(Br)c2C1 ZINC000295214339 565252043 /nfs/dbraw/zinc/25/20/43/565252043.db2.gz AWWZTHNFDWFBKX-UHFFFAOYSA-N 0 1 381.249 3.004 20 0 GGADMN Cc1nc(C)c(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000186297177 565252930 /nfs/dbraw/zinc/25/29/30/565252930.db2.gz QPHTXLXYIURHNT-CQSZACIVSA-N 0 1 379.551 3.493 20 0 GGADMN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1cc(C)n[nH]1 ZINC000186299488 565253653 /nfs/dbraw/zinc/25/36/53/565253653.db2.gz YHWQYKWBIWMWAH-KRWDZBQOSA-N 0 1 394.313 3.177 20 0 GGADMN COCCn1ccc2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc21 ZINC000271456676 565254005 /nfs/dbraw/zinc/25/40/05/565254005.db2.gz ZPSQFBJDXCVUAI-UHFFFAOYSA-N 0 1 380.520 3.159 20 0 GGADMN C[C@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271460143 565254535 /nfs/dbraw/zinc/25/45/35/565254535.db2.gz HJWDLGKQJFMOMO-ZUZCIYMTSA-N 0 1 389.851 3.406 20 0 GGADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1nnnn1-c1ccccc1Br ZINC000186336305 565256085 /nfs/dbraw/zinc/25/60/85/565256085.db2.gz OGIPFABJIUCXGN-GOEBONIOSA-N 0 1 394.317 3.108 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1nnnn1-c1ccccc1Br ZINC000186336288 565256105 /nfs/dbraw/zinc/25/61/05/565256105.db2.gz OGIPFABJIUCXGN-ZBFHGGJFSA-N 0 1 394.317 3.108 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N1CCC(n2cc(Br)cn2)CC1 ZINC000372812420 565256056 /nfs/dbraw/zinc/25/60/56/565256056.db2.gz PXHPOBOYSPNSGH-KRWDZBQOSA-N 0 1 389.297 3.236 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000295267114 565256911 /nfs/dbraw/zinc/25/69/11/565256911.db2.gz LSLIBOFRZKQXBD-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)CC[S@@](C)=O)nnn1-c1cccc(Br)c1 ZINC000271516742 565257182 /nfs/dbraw/zinc/25/71/82/565257182.db2.gz PSQZUJKTKOTRNL-HDODXQBNSA-N 0 1 399.358 3.146 20 0 GGADMN C[C@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1nccs1 ZINC000271554602 565258946 /nfs/dbraw/zinc/25/89/46/565258946.db2.gz SMVRFPGIKXXZAD-ZDUSSCGKSA-N 0 1 383.514 3.176 20 0 GGADMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ncc(Br)s1 ZINC000186420608 565261224 /nfs/dbraw/zinc/26/12/24/565261224.db2.gz FPODEJWQZALBFH-SNVBAGLBSA-N 0 1 394.298 3.454 20 0 GGADMN Cc1cc(C)c(C(=O)NCc2n[nH]c(C(C)C)n2)cc1I ZINC000295379408 565261999 /nfs/dbraw/zinc/26/19/99/565261999.db2.gz ICWNGDZVWHMHIK-UHFFFAOYSA-N 0 1 398.248 3.080 20 0 GGADMN Cc1csc([C@@H](C)CNS(=O)(=O)c2nc(C)c(Br)s2)n1 ZINC000186480333 565262831 /nfs/dbraw/zinc/26/28/31/565262831.db2.gz MPPCLWIUKPKJLG-LURJTMIESA-N 0 1 396.357 3.061 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1occc1Br ZINC000271674598 565263419 /nfs/dbraw/zinc/26/34/19/565263419.db2.gz BQCUVXSSOYIYRE-UHFFFAOYSA-N 0 1 379.254 3.251 20 0 GGADMN C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H](CCO)c1ccco1 ZINC000186520634 565265513 /nfs/dbraw/zinc/26/55/13/565265513.db2.gz XOOWPZMBNZLTEJ-SWLSCSKDSA-N 0 1 381.270 3.473 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271766578 565267542 /nfs/dbraw/zinc/26/75/42/565267542.db2.gz DHGKEVDTSUOXSP-PJGQNWHFSA-N 0 1 378.925 3.433 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000271747139 565267821 /nfs/dbraw/zinc/26/78/21/565267821.db2.gz GRNOTJHYJSHEJF-JTQLQIEISA-N 0 1 388.320 3.335 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(F)c(Br)c(Cl)c2)n[nH]1 ZINC000295479462 565268094 /nfs/dbraw/zinc/26/80/94/565268094.db2.gz QYPDJYMBEPYQER-UHFFFAOYSA-N 0 1 375.629 3.413 20 0 GGADMN OC[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000271815727 565268699 /nfs/dbraw/zinc/26/86/99/565268699.db2.gz LVUPNXHZJATUJT-OAHLLOKOSA-N 0 1 382.229 3.183 20 0 GGADMN CSc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c1C ZINC000271801584 565268711 /nfs/dbraw/zinc/26/87/11/565268711.db2.gz SDHBQAQXJIVBHT-CQSZACIVSA-N 0 1 377.535 3.136 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccccc1Br)[C@@H](c1ccccc1)N(C)C ZINC000186588316 565269837 /nfs/dbraw/zinc/26/98/37/565269837.db2.gz IZEAFXCUZPUATE-GUYCJALGSA-N 0 1 397.338 3.419 20 0 GGADMN COC(=O)c1ccnc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000186591308 565271111 /nfs/dbraw/zinc/27/11/11/565271111.db2.gz AWOMUTQMWHCKGP-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000186620910 565272066 /nfs/dbraw/zinc/27/20/66/565272066.db2.gz GUVKYMIWIAYTAD-ZIAGYGMSSA-N 0 1 385.291 3.104 20 0 GGADMN O=S(=O)(Cc1ccccc1F)Nc1nc(SCc2ccccc2)n[nH]1 ZINC000186606600 565272586 /nfs/dbraw/zinc/27/25/86/565272586.db2.gz QDPVVCZAJCMFIT-UHFFFAOYSA-N 0 1 378.454 3.178 20 0 GGADMN COc1cc(I)ccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000295535711 565272765 /nfs/dbraw/zinc/27/27/65/565272765.db2.gz RRKYJJCFONXHHW-UHFFFAOYSA-N 0 1 383.189 3.153 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCn3c(cc4c3cccc4Cl)C2)[nH]1 ZINC000373162902 565273170 /nfs/dbraw/zinc/27/31/70/565273170.db2.gz IQLMWYQILWBAMI-UHFFFAOYSA-N 0 1 375.885 3.246 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000271981815 565273263 /nfs/dbraw/zinc/27/32/63/565273263.db2.gz DVPPQVUYXOVVGX-QFYYESIMSA-N 0 1 398.257 3.304 20 0 GGADMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000271981818 565273492 /nfs/dbraw/zinc/27/34/92/565273492.db2.gz DVPPQVUYXOVVGX-QLJPJBMISA-N 0 1 398.257 3.304 20 0 GGADMN Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000272025197 565274482 /nfs/dbraw/zinc/27/44/82/565274482.db2.gz DLJVXJRBKFGKAJ-MEBBXXQBSA-N 0 1 376.448 3.409 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000373201016 565274485 /nfs/dbraw/zinc/27/44/85/565274485.db2.gz BHFLSGUHUYPBOV-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CCOC(=O)C1([S@@](C)=O)CCN(CCCSCc2ccccc2)CC1 ZINC000295584284 565274599 /nfs/dbraw/zinc/27/45/99/565274599.db2.gz MDRWBLSBBWAGIQ-RUZDIDTESA-N 0 1 383.579 3.086 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccc(I)cc3)CC2)n[nH]1 ZINC000272026017 565274613 /nfs/dbraw/zinc/27/46/13/565274613.db2.gz AMFBPOSGEOBQRM-UHFFFAOYSA-N 0 1 395.244 3.343 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)s1 ZINC000272000589 565274916 /nfs/dbraw/zinc/27/49/16/565274916.db2.gz AHXFHRBZZHEWPO-UFBFGSQYSA-N 0 1 398.248 3.345 20 0 GGADMN CC(C)(C[C@@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1)C(N)=O ZINC000295580021 565275156 /nfs/dbraw/zinc/27/51/56/565275156.db2.gz LXDSWMZXCOPZGK-BBRMVZONSA-N 0 1 383.330 3.096 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000186662972 565276091 /nfs/dbraw/zinc/27/60/91/565276091.db2.gz PNUWEUCYTWIBHE-CQSZACIVSA-N 0 1 384.929 3.220 20 0 GGADMN O=C(CCc1ccc(Cl)s1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186672110 565276881 /nfs/dbraw/zinc/27/68/81/565276881.db2.gz VDMJJNGNZMLHDJ-UHFFFAOYSA-N 0 1 376.869 3.348 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC000186674589 565277492 /nfs/dbraw/zinc/27/74/92/565277492.db2.gz PYZNZIDIYVFZCY-UHFFFAOYSA-N 0 1 375.694 3.083 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000186685653 565278464 /nfs/dbraw/zinc/27/84/64/565278464.db2.gz KEGSOZOGSQFUBV-UHFFFAOYSA-N 0 1 389.721 3.473 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000186688371 565278560 /nfs/dbraw/zinc/27/85/60/565278560.db2.gz ZSXOTFFPFPXQAK-UHFFFAOYSA-N 0 1 389.721 3.473 20 0 GGADMN O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@@H]1CN1CCCCC1 ZINC000272156402 565279536 /nfs/dbraw/zinc/27/95/36/565279536.db2.gz DIOIOWDYWDLVMV-GFCCVEGCSA-N 0 1 378.325 3.027 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2nccc(-c3cnn(C)c3)n2)cc1Cl ZINC000373374439 565281425 /nfs/dbraw/zinc/28/14/25/565281425.db2.gz XFKUWBDWAFIBTD-UHFFFAOYSA-N 0 1 395.897 3.053 20 0 GGADMN Cc1cnc([C@@H](C)CNS(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000186733406 565281756 /nfs/dbraw/zinc/28/17/56/565281756.db2.gz NMICQNYYHRJFKK-LURJTMIESA-N 0 1 396.357 3.061 20 0 GGADMN Cc1cc(Br)ccc1SCC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295694374 565281729 /nfs/dbraw/zinc/28/17/29/565281729.db2.gz JVLKFYZOFFDPHG-UHFFFAOYSA-N 0 1 383.315 3.408 20 0 GGADMN CC(C)c1nc(CNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000295699276 565282503 /nfs/dbraw/zinc/28/25/03/565282503.db2.gz KBQCMGSANDXNGN-UHFFFAOYSA-N 0 1 379.251 3.351 20 0 GGADMN COc1cccc([C@@H](NC[C@H]2CCS(=O)(=O)C2)c2ccccc2Cl)c1 ZINC000272263903 565283113 /nfs/dbraw/zinc/28/31/13/565283113.db2.gz KMLYZRXNSNQJOC-AUUYWEPGSA-N 0 1 379.909 3.462 20 0 GGADMN Cc1csc([C@](O)(CC(=O)Nc2c(C)n[nH]c2C(F)F)C(F)(F)F)n1 ZINC000272291739 565283802 /nfs/dbraw/zinc/28/38/02/565283802.db2.gz DHOAFXTWXPJNQL-GFCCVEGCSA-N 0 1 384.330 3.199 20 0 GGADMN Cc1ccc(O[C@H](C)C(=O)NCc2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000295731760 565284072 /nfs/dbraw/zinc/28/40/72/565284072.db2.gz MOFUSRIICSZZSX-LLVKDONJSA-N 0 1 381.274 3.083 20 0 GGADMN Cc1csc([C@@](O)(CC(=O)Nc2c(C)n[nH]c2C(F)F)C(F)(F)F)n1 ZINC000272291741 565284113 /nfs/dbraw/zinc/28/41/13/565284113.db2.gz DHOAFXTWXPJNQL-LBPRGKRZSA-N 0 1 384.330 3.199 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1CCCC(=O)c1ccc(Br)cc1 ZINC000295739725 565284670 /nfs/dbraw/zinc/28/46/70/565284670.db2.gz MRIQFNNOQXQWBJ-HNNXBMFYSA-N 0 1 397.357 3.189 20 0 GGADMN CC(C)(C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757388 565285139 /nfs/dbraw/zinc/28/51/39/565285139.db2.gz XSDZTZOQKMDDFT-CJNGLKHVSA-N 0 1 383.330 3.096 20 0 GGADMN CC(C)(C[C@H]1CCCN(C[C@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757388 565285142 /nfs/dbraw/zinc/28/51/42/565285142.db2.gz XSDZTZOQKMDDFT-CJNGLKHVSA-N 0 1 383.330 3.096 20 0 GGADMN COc1ccc([C@@H](NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2Cl)cc1 ZINC000272341084 565285618 /nfs/dbraw/zinc/28/56/18/565285618.db2.gz YTWFUAJGRXYZGD-IFXJQAMLSA-N 0 1 379.909 3.462 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1Br ZINC000186798764 565285927 /nfs/dbraw/zinc/28/59/27/565285927.db2.gz MOLNKVDZWACVPD-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN CN1CCCN(C(=O)Nc2ccc(Cl)cc2I)CC1 ZINC000272384935 565286147 /nfs/dbraw/zinc/28/61/47/565286147.db2.gz SQJNCEHQHRTGEI-UHFFFAOYSA-N 0 1 393.656 3.114 20 0 GGADMN CCOC(=O)C1([S@](C)=O)CCN([C@H](C)CCSc2ccccc2)CC1 ZINC000295779537 565286973 /nfs/dbraw/zinc/28/69/73/565286973.db2.gz ZAIIQDRZRRWCCJ-CPJLOUKISA-N 0 1 383.579 3.334 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000373471965 565287261 /nfs/dbraw/zinc/28/72/61/565287261.db2.gz XDSKVDOAIQREJO-CQSZACIVSA-N 0 1 376.298 3.412 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000161599122 565288461 /nfs/dbraw/zinc/28/84/61/565288461.db2.gz ZWERBHZNGNNIDD-UHFFFAOYSA-N 0 1 378.397 3.149 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)n[nH]1 ZINC000295808846 565288543 /nfs/dbraw/zinc/28/85/43/565288543.db2.gz SQUQJPRLAUHVDT-UHFFFAOYSA-N 0 1 380.221 3.241 20 0 GGADMN CC(=O)N(C)C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000161631419 565288672 /nfs/dbraw/zinc/28/86/72/565288672.db2.gz PGXIJGVIPLUCLN-UHFFFAOYSA-N 0 1 376.298 3.440 20 0 GGADMN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000295833801 565289500 /nfs/dbraw/zinc/28/95/00/565289500.db2.gz CWGJPJCVLWXNPZ-MLGOLLRUSA-N 0 1 384.933 3.266 20 0 GGADMN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000295833791 565289609 /nfs/dbraw/zinc/28/96/09/565289609.db2.gz CWGJPJCVLWXNPZ-BLLLJJGKSA-N 0 1 384.933 3.266 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCSC2(CCOCC2)C1 ZINC000186843839 565289981 /nfs/dbraw/zinc/28/99/81/565289981.db2.gz OPZDTLUPDZSVRG-JKSUJKDBSA-N 0 1 380.579 3.398 20 0 GGADMN CCC[C@@H](CCc1ccccc1)NS(=O)(=O)c1scnc1C(=O)OC ZINC000161653398 565290047 /nfs/dbraw/zinc/29/00/47/565290047.db2.gz RSALREYDDSAJAV-AWEZNQCLSA-N 0 1 382.507 3.010 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCSC2(CCOCC2)C1 ZINC000186846714 565290299 /nfs/dbraw/zinc/29/02/99/565290299.db2.gz RXDQDBWHUDTIDV-ZDUSSCGKSA-N 0 1 399.354 3.374 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCSC2(CCOCC2)C1 ZINC000186843857 565290636 /nfs/dbraw/zinc/29/06/36/565290636.db2.gz OPZDTLUPDZSVRG-HZPDHXFCSA-N 0 1 380.579 3.398 20 0 GGADMN COCCOC[C@@H](O)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000295873712 565291671 /nfs/dbraw/zinc/29/16/71/565291671.db2.gz ZFYBEIKSCUOMSM-LRDDRELGSA-N 0 1 384.929 3.446 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(Br)c1Cl ZINC000186897412 565294022 /nfs/dbraw/zinc/29/40/22/565294022.db2.gz PCUYHGZUULYPLG-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Br)cc1Cl ZINC000186903095 565294447 /nfs/dbraw/zinc/29/44/47/565294447.db2.gz ZZPVXJLTXFKZCM-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN CCC[C@H](NS(=O)(=O)c1scnc1C(=O)OC)c1ccc(F)cc1F ZINC000161835563 565294494 /nfs/dbraw/zinc/29/44/94/565294494.db2.gz JIHHLHXFEAMIOK-LBPRGKRZSA-N 0 1 390.433 3.028 20 0 GGADMN O=C(Nc1ccncc1Br)NC1CCN(Cc2ccccn2)CC1 ZINC000272672603 565294516 /nfs/dbraw/zinc/29/45/16/565294516.db2.gz LHTARDRQYNGKBT-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN Cn1ccnc1[C@](O)(CNCc1ccc(SC(F)F)cc1)C(F)(F)F ZINC000272690242 565294527 /nfs/dbraw/zinc/29/45/27/565294527.db2.gz DEKLNVBOEQAWCJ-CQSZACIVSA-N 0 1 381.370 3.275 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000186908032 565294942 /nfs/dbraw/zinc/29/49/42/565294942.db2.gz FOKWIMPQJMBUFQ-NSHDSACASA-N 0 1 384.307 3.392 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000186908017 565295559 /nfs/dbraw/zinc/29/55/59/565295559.db2.gz FOKWIMPQJMBUFQ-LLVKDONJSA-N 0 1 384.307 3.392 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000295984630 565296476 /nfs/dbraw/zinc/29/64/76/565296476.db2.gz NJINUHPVLCBYPX-MRXNPFEDSA-N 0 1 379.913 3.153 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000186932940 565296829 /nfs/dbraw/zinc/29/68/29/565296829.db2.gz XOUATKLFKCVLOR-HNNXBMFYSA-N 0 1 383.330 3.002 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000186956556 565297696 /nfs/dbraw/zinc/29/76/96/565297696.db2.gz HKUFUPUAWGNWBP-CSMYWGQOSA-N 0 1 385.335 3.401 20 0 GGADMN CC(C)C[C@H](CN[C@@H](C)c1ncc(Br)cc1F)N1CCOCC1 ZINC000186959283 565297818 /nfs/dbraw/zinc/29/78/18/565297818.db2.gz HGLMGPRQNXVGJK-DZGCQCFKSA-N 0 1 388.325 3.381 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Br)ccc1Cl ZINC000186974218 565298529 /nfs/dbraw/zinc/29/85/29/565298529.db2.gz HRUZZPLZSFKDIQ-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN CC[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(Cl)c1F ZINC000161942087 565299314 /nfs/dbraw/zinc/29/93/14/565299314.db2.gz INCAYLCWZIFDIH-FZMZJTMJSA-N 0 1 391.917 3.416 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cccc(Br)c3)no2)[C@@H]2CCO[C@@H]21 ZINC000296061886 565299563 /nfs/dbraw/zinc/29/95/63/565299563.db2.gz GGHPZGGRFGIQCD-CFVMTHIKSA-N 0 1 378.270 3.402 20 0 GGADMN NC(=O)[C@@H](NCCCOCCc1ccccc1)c1cccc(Br)c1 ZINC000161966760 565299726 /nfs/dbraw/zinc/29/97/26/565299726.db2.gz VWUVPUFQVGIOGI-SFHVURJKSA-N 0 1 391.309 3.215 20 0 GGADMN NC(=O)[C@H](NCCCOCCc1ccccc1)c1cccc(Br)c1 ZINC000161966909 565300388 /nfs/dbraw/zinc/30/03/88/565300388.db2.gz VWUVPUFQVGIOGI-GOSISDBHSA-N 0 1 391.309 3.215 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000161968011 565300465 /nfs/dbraw/zinc/30/04/65/565300465.db2.gz IPVKODMEPXDTKN-CQSZACIVSA-N 0 1 386.945 3.415 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000296114278 565301977 /nfs/dbraw/zinc/30/19/77/565301977.db2.gz FCSQCRUMWFHXGX-UHFFFAOYSA-N 0 1 382.448 3.094 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1Br)NCc1n[nH]c(C2CC2)n1 ZINC000296110919 565302073 /nfs/dbraw/zinc/30/20/73/565302073.db2.gz PUHVVVCFEVFICC-UHFFFAOYSA-N 0 1 399.676 3.183 20 0 GGADMN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000162064933 565302313 /nfs/dbraw/zinc/30/23/13/565302313.db2.gz UUAKWCDGRXABQS-LLVKDONJSA-N 0 1 394.269 3.251 20 0 GGADMN CC(C)Nc1cccc(F)c1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000296100640 565302255 /nfs/dbraw/zinc/30/22/55/565302255.db2.gz XDMLGSRYSRDXBU-UHFFFAOYSA-N 0 1 380.367 3.199 20 0 GGADMN CCn1cc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cn1 ZINC000296102899 565302312 /nfs/dbraw/zinc/30/23/12/565302312.db2.gz QCAQEPJBTQLAAK-KGLIPLIRSA-N 0 1 393.329 3.363 20 0 GGADMN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000162065039 565302668 /nfs/dbraw/zinc/30/26/68/565302668.db2.gz UUAKWCDGRXABQS-NSHDSACASA-N 0 1 394.269 3.251 20 0 GGADMN CCc1nc(CCN[C@@H](C(N)=O)c2cccc(Br)c2)sc1C ZINC000162051441 565303065 /nfs/dbraw/zinc/30/30/65/565303065.db2.gz MZTNTTGPVMPPRB-OAHLLOKOSA-N 0 1 382.327 3.135 20 0 GGADMN CC(C)C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccn1 ZINC000162081021 565303806 /nfs/dbraw/zinc/30/38/06/565303806.db2.gz DUTDJQITMVDMDT-GOSISDBHSA-N 0 1 381.929 3.390 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3ccc(Br)s3)no2)[C@@H]2CCO[C@@H]21 ZINC000296170014 565305651 /nfs/dbraw/zinc/30/56/51/565305651.db2.gz KYEAUDFKQHUXMF-CKLFPEKLSA-N 0 1 384.299 3.464 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3ccc(Br)s3)no2)[C@H]2CCO[C@@H]21 ZINC000296170020 565305669 /nfs/dbraw/zinc/30/56/69/565305669.db2.gz KYEAUDFKQHUXMF-WQHBLYJGSA-N 0 1 384.299 3.464 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)n1 ZINC000273050060 565305632 /nfs/dbraw/zinc/30/56/32/565305632.db2.gz VBGJGPUBMMVXEO-UHFFFAOYSA-N 0 1 380.235 3.356 20 0 GGADMN COc1cccc(F)c1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000187055046 565306461 /nfs/dbraw/zinc/30/64/61/565306461.db2.gz ODEMBKCJBYKTLS-UHFFFAOYSA-N 0 1 390.795 3.386 20 0 GGADMN COc1cc(CCN[C@H](C(N)=O)c2cccc(Br)c2)ccc1C ZINC000162153217 565306623 /nfs/dbraw/zinc/30/66/23/565306623.db2.gz WXHRXWIYISTNEC-KRWDZBQOSA-N 0 1 377.282 3.125 20 0 GGADMN Cc1ccc(O[C@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162173590 565307044 /nfs/dbraw/zinc/30/70/44/565307044.db2.gz OHGAFFDFHMFLNQ-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN COc1cccc(O[C@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162172105 565307437 /nfs/dbraw/zinc/30/74/37/565307437.db2.gz RRMOBQRCSMVQBA-PXAZEXFGSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccccc1O[C@@H](C)CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162176657 565307617 /nfs/dbraw/zinc/30/76/17/565307617.db2.gz BYEBOKONYPDHNM-SJCJKPOMSA-N 0 1 393.281 3.041 20 0 GGADMN Cc1cccc(O[C@@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162169603 565308152 /nfs/dbraw/zinc/30/81/52/565308152.db2.gz YXLUHQFXNJMFSB-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN C[C@H](C[S@](C)=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000273175230 565310546 /nfs/dbraw/zinc/31/05/46/565310546.db2.gz CWZXKODMYOORNF-XMYANBKOSA-N 0 1 399.965 3.190 20 0 GGADMN C[C@H](C[S@@](C)=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000273175223 565310856 /nfs/dbraw/zinc/31/08/56/565310856.db2.gz CWZXKODMYOORNF-ADCPOJHVSA-N 0 1 399.965 3.190 20 0 GGADMN NC(=O)[C@H](NC1CCN(c2cccs2)CC1)c1cccc(Br)c1 ZINC000162253922 565311063 /nfs/dbraw/zinc/31/10/63/565311063.db2.gz CIZJZMIBLBUZPU-MRXNPFEDSA-N 0 1 394.338 3.296 20 0 GGADMN COc1cc(CNCc2cccc(Br)c2F)ccc1OCCO ZINC000296307971 565311761 /nfs/dbraw/zinc/31/17/61/565311761.db2.gz GLVYJGWJBALKNS-UHFFFAOYSA-N 0 1 384.245 3.258 20 0 GGADMN C[C@H](NCCCNC(=O)c1cccc(O)c1)c1ncc(Br)cc1F ZINC000187136257 565312633 /nfs/dbraw/zinc/31/26/33/565312633.db2.gz KXPKMQDWKLOFQD-NSHDSACASA-N 0 1 396.260 3.160 20 0 GGADMN C[C@H](C(=O)NC1CCCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000374011121 565314711 /nfs/dbraw/zinc/31/47/11/565314711.db2.gz VINUNQPECHPTOA-CYBMUJFWSA-N 0 1 383.334 3.120 20 0 GGADMN COc1c(CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)c(C)nn1C ZINC000162404109 565316124 /nfs/dbraw/zinc/31/61/24/565316124.db2.gz YFVRZLKCYSYIRW-NSHDSACASA-N 0 1 395.301 3.007 20 0 GGADMN CC[C@@H](NCCNS(=O)(=O)Cc1ccon1)c1ccc(Cl)cc1Cl ZINC000162401568 565316310 /nfs/dbraw/zinc/31/63/10/565316310.db2.gz BHTDDYHBPLIGHN-OAHLLOKOSA-N 0 1 392.308 3.142 20 0 GGADMN C[C@@H](NCCCOCC1CCOCC1)c1ncc(Br)cc1F ZINC000187233375 565318105 /nfs/dbraw/zinc/31/81/05/565318105.db2.gz OIXHTAZFQIZJGD-GFCCVEGCSA-N 0 1 375.282 3.467 20 0 GGADMN COC(=O)COc1cccc(CNCc2cccc(Br)c2OC)c1 ZINC000187242926 565318257 /nfs/dbraw/zinc/31/82/57/565318257.db2.gz XMFRCEFIYRXNLD-UHFFFAOYSA-N 0 1 394.265 3.299 20 0 GGADMN CNC(=O)c1cccc(CCN[C@H](C)c2ncc(Br)cc2F)c1 ZINC000187234096 565318468 /nfs/dbraw/zinc/31/84/68/565318468.db2.gz NGYHNGVPPOWEEM-LLVKDONJSA-N 0 1 380.261 3.236 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(Br)cs3)[nH]c21 ZINC000162489056 565318797 /nfs/dbraw/zinc/31/87/97/565318797.db2.gz RYMOYDSXRFNNRJ-UHFFFAOYSA-N 0 1 380.223 3.426 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3cccc(Br)c3)[nH]c21 ZINC000162540619 565320106 /nfs/dbraw/zinc/32/01/06/565320106.db2.gz VDUNKWBQUAMBBZ-UHFFFAOYSA-N 0 1 388.221 3.293 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccsc2Cl)CN1Cc1ccccc1 ZINC000187285795 565320938 /nfs/dbraw/zinc/32/09/38/565320938.db2.gz ZLLQNBODIHYFJF-GXTWGEPZSA-N 0 1 377.897 3.119 20 0 GGADMN C[C@@H]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1n1ccnc1 ZINC000187299051 565321917 /nfs/dbraw/zinc/32/19/17/565321917.db2.gz JQJBOKKKAUYJKB-DQYPLSBCSA-N 0 1 382.277 3.401 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000162676744 565324259 /nfs/dbraw/zinc/32/42/59/565324259.db2.gz USCCYGAQAOFJOE-CZUORRHYSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000162676744 565324266 /nfs/dbraw/zinc/32/42/66/565324266.db2.gz USCCYGAQAOFJOE-CZUORRHYSA-N 0 1 379.298 3.244 20 0 GGADMN COc1cc(CN[C@@H]2C[C@H](C)Sc3sccc32)ccc1OCC(N)=O ZINC000162670662 565324853 /nfs/dbraw/zinc/32/48/53/565324853.db2.gz OURURHUHZWZQBX-SMDDNHRTSA-N 0 1 378.519 3.336 20 0 GGADMN Cc1ccoc1C(=O)NCCCN[C@@H](C)c1ncc(Br)cc1F ZINC000187349766 565325603 /nfs/dbraw/zinc/32/56/03/565325603.db2.gz OEWBTAUPJNDSDU-NSHDSACASA-N 0 1 384.249 3.355 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCS(=O)(=O)c2ccccc2C1 ZINC000187380599 565327295 /nfs/dbraw/zinc/32/72/95/565327295.db2.gz AZRHBJOLCUHRLC-UHFFFAOYSA-N 0 1 386.256 3.129 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCC1(C(=O)OC)CCCCC1 ZINC000187376277 565327453 /nfs/dbraw/zinc/32/74/53/565327453.db2.gz QVAZRGUUSVLFNJ-UHFFFAOYSA-N 0 1 387.929 3.347 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000374259035 565327490 /nfs/dbraw/zinc/32/74/90/565327490.db2.gz XRXSAHLWFAXLQY-CRAIPNDOSA-N 0 1 394.313 3.279 20 0 GGADMN Cc1cc(C2CCN(C(=O)COc3ccccc3Br)CC2)n[nH]1 ZINC000273626268 565327583 /nfs/dbraw/zinc/32/75/83/565327583.db2.gz PMVKCQYORQGQAY-UHFFFAOYSA-N 0 1 378.270 3.266 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000374259038 565327765 /nfs/dbraw/zinc/32/77/65/565327765.db2.gz XRXSAHLWFAXLQY-YJBOKZPZSA-N 0 1 394.313 3.279 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3cnn(C)c3Br)c2C1 ZINC000273659818 565329588 /nfs/dbraw/zinc/32/95/88/565329588.db2.gz VWUFPHZWQWPXEZ-UHFFFAOYSA-N 0 1 377.286 3.407 20 0 GGADMN COc1ccc(Br)cc1CC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000273659640 565330071 /nfs/dbraw/zinc/33/00/71/565330071.db2.gz VUYAAVPAMFPTAY-UHFFFAOYSA-N 0 1 392.297 3.438 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N2CCCC23CCN(C)CC3)cc1Cl ZINC000374295098 565330409 /nfs/dbraw/zinc/33/04/09/565330409.db2.gz LYUQQHKFYYITFI-UHFFFAOYSA-N 0 1 393.336 3.251 20 0 GGADMN Cn1cc([C@H](O)C[C@@H]2CCCN2CCOc2ccccc2Br)cn1 ZINC000374315914 565331330 /nfs/dbraw/zinc/33/13/30/565331330.db2.gz GPUYVKKEHZYJNQ-DOTOQJQBSA-N 0 1 394.313 3.150 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Nc2cc(Br)cc3nc(C)oc32)n[nH]1 ZINC000296720541 565332156 /nfs/dbraw/zinc/33/21/56/565332156.db2.gz JGAMJDVQHLKZNV-LURJTMIESA-N 0 1 379.218 3.208 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1ccc(Br)c(C2CC2)n1 ZINC000296737526 565333373 /nfs/dbraw/zinc/33/33/73/565333373.db2.gz LNLNTQMXJDMHFK-UHFFFAOYSA-N 0 1 377.246 3.039 20 0 GGADMN C[C@H]1CSCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187454291 565333496 /nfs/dbraw/zinc/33/34/96/565333496.db2.gz MAYGTDJZHUGTGD-WFASDCNBSA-N 0 1 375.460 3.455 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000163056951 565335108 /nfs/dbraw/zinc/33/51/08/565335108.db2.gz SNUNVPCZEJBICL-ZDUSSCGKSA-N 0 1 380.897 3.341 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163061944 565335295 /nfs/dbraw/zinc/33/52/95/565335295.db2.gz YQUWKSNCOUXGCM-ZDUSSCGKSA-N 0 1 380.897 3.341 20 0 GGADMN CC1([C@H]2CCCN(C[C@H](O)c3ccc(F)c(Br)c3)C2)OCCO1 ZINC000187481911 565336336 /nfs/dbraw/zinc/33/63/36/565336336.db2.gz LPZKIRUNDLFKKA-BBRMVZONSA-N 0 1 388.277 3.097 20 0 GGADMN COc1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)c(Br)c1O ZINC000273797342 565337010 /nfs/dbraw/zinc/33/70/10/565337010.db2.gz WKEZNEASMHOWNW-ZDUSSCGKSA-N 0 1 386.286 3.138 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(C)cc(Br)c3)C2)CC1 ZINC000187510736 565337304 /nfs/dbraw/zinc/33/73/04/565337304.db2.gz LPYUEXAFOCOUKU-QGZVFWFLSA-N 0 1 395.345 3.001 20 0 GGADMN Brc1ccc(-c2noc(CN3CC[C@H]([C@H]4CCOC4)C3)n2)s1 ZINC000374414220 565338236 /nfs/dbraw/zinc/33/82/36/565338236.db2.gz ZIZRQNNBFTVUKD-QWRGUYRKSA-N 0 1 384.299 3.419 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(C3CCOCC3)CC2)cc1Br ZINC000187523225 565338476 /nfs/dbraw/zinc/33/84/76/565338476.db2.gz IFRBREFBXPZDCA-UHFFFAOYSA-N 0 1 396.329 3.394 20 0 GGADMN CCc1nn(C)c(OC)c1CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187518505 565338501 /nfs/dbraw/zinc/33/85/01/565338501.db2.gz BSFXLDOVHAYLTG-UHFFFAOYSA-N 0 1 379.873 3.026 20 0 GGADMN CCN1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)CC1 ZINC000163171507 565338953 /nfs/dbraw/zinc/33/89/53/565338953.db2.gz MZPURQLQQGLHFD-UHFFFAOYSA-N 0 1 383.945 3.333 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000187546379 565339354 /nfs/dbraw/zinc/33/93/54/565339354.db2.gz LYGCLPUIGHJMGS-OAHLLOKOSA-N 0 1 396.329 3.252 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(Sc3nncs3)cc2)C1(C)C ZINC000187553399 565340398 /nfs/dbraw/zinc/34/03/98/565340398.db2.gz RYJRDUORDXPJFE-DYVFJYSZSA-N 0 1 378.523 3.160 20 0 GGADMN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374483528 565341073 /nfs/dbraw/zinc/34/10/73/565341073.db2.gz SZZAFFIYUKTVME-TVQRCGJNSA-N 0 1 381.263 3.029 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2cc(Br)ncc2F)c1 ZINC000273863962 565341243 /nfs/dbraw/zinc/34/12/43/565341243.db2.gz MVSXYTWVCSZPSZ-BMIGLBTASA-N 0 1 399.260 3.385 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cc(Br)ncc2F)c1 ZINC000273863965 565341304 /nfs/dbraw/zinc/34/13/04/565341304.db2.gz MVSXYTWVCSZPSZ-BONVTDFDSA-N 0 1 399.260 3.385 20 0 GGADMN C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)c(Br)c1 ZINC000374525515 565343445 /nfs/dbraw/zinc/34/34/45/565343445.db2.gz CFPZHBFKMYMLSZ-ZBEGNZNMSA-N 0 1 385.277 3.019 20 0 GGADMN Fc1cc(Br)c(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1F ZINC000273903521 565344461 /nfs/dbraw/zinc/34/44/61/565344461.db2.gz HALOAHHTQYXBSK-ISVAXAHUSA-N 0 1 386.196 3.313 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)ncc1F ZINC000273905243 565344520 /nfs/dbraw/zinc/34/45/20/565344520.db2.gz WMNGHYWCADCAAU-JQWIXIFHSA-N 0 1 387.224 3.213 20 0 GGADMN Fc1cc(Br)c(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1F ZINC000273903523 565344595 /nfs/dbraw/zinc/34/45/95/565344595.db2.gz HALOAHHTQYXBSK-SDBXPKJASA-N 0 1 386.196 3.313 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1cc(Br)ncc1F ZINC000273905246 565345186 /nfs/dbraw/zinc/34/51/86/565345186.db2.gz WMNGHYWCADCAAU-ZYHUDNBSSA-N 0 1 387.224 3.213 20 0 GGADMN COc1ccc(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)cc1Cl ZINC000273942523 565347109 /nfs/dbraw/zinc/34/71/09/565347109.db2.gz LVFIIPSLIDPTIM-UHFFFAOYSA-N 0 1 380.897 3.183 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)n[nH]1 ZINC000296970683 565348643 /nfs/dbraw/zinc/34/86/43/565348643.db2.gz RLHRYBIHXQAFHT-UHFFFAOYSA-N 0 1 388.255 3.021 20 0 GGADMN CO[C@@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000374666546 565349266 /nfs/dbraw/zinc/34/92/66/565349266.db2.gz VBTDEIFIRLNKMW-CYBMUJFWSA-N 0 1 378.270 3.480 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)C(=O)c1cccc2nn[nH]c21 ZINC000163637520 565349980 /nfs/dbraw/zinc/34/99/80/565349980.db2.gz HQJVWBFTBTVDDK-UHFFFAOYSA-N 0 1 389.253 3.262 20 0 GGADMN CCOC(=O)c1cnc2c(Cl)c(N(C)Cc3nnc[nH]3)ccc2c1Cl ZINC000297000808 565350091 /nfs/dbraw/zinc/35/00/91/565350091.db2.gz FWSDIJVDCFHEQD-UHFFFAOYSA-N 0 1 380.235 3.473 20 0 GGADMN CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CSC ZINC000187732629 565351206 /nfs/dbraw/zinc/35/12/06/565351206.db2.gz BRRILMREUIYCDG-STQMWFEESA-N 0 1 378.460 3.468 20 0 GGADMN NCc1cc(C(=O)NCCSCCOc2cccc(Br)c2)co1 ZINC000187736882 565351334 /nfs/dbraw/zinc/35/13/34/565351334.db2.gz HIYMGMMDUZBLQL-UHFFFAOYSA-N 0 1 399.310 3.043 20 0 GGADMN CC(C)NC(=O)[C@@H](C)NCc1ccc(Br)c(Br)c1 ZINC000163724133 565351421 /nfs/dbraw/zinc/35/14/21/565351421.db2.gz BVTBXAMQCJJZFH-SECBINFHSA-N 0 1 378.108 3.214 20 0 GGADMN Clc1ccc(-n2cc(CN3CCC(c4nc[nH]n4)CC3)nn2)cc1Cl ZINC000374715298 565352211 /nfs/dbraw/zinc/35/22/11/565352211.db2.gz ZICBPJDUZLWZPI-UHFFFAOYSA-N 0 1 378.267 3.072 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@@H](C)O1 ZINC000187756739 565352448 /nfs/dbraw/zinc/35/24/48/565352448.db2.gz FWBVELAZIVTMLG-VXGBXAGGSA-N 0 1 382.917 3.021 20 0 GGADMN CC(C)c1nc(CNC(=O)NCc2ccc(Br)cc2Cl)n[nH]1 ZINC000297042668 565352843 /nfs/dbraw/zinc/35/28/43/565352843.db2.gz CENSLJMFDXRDJH-UHFFFAOYSA-N 0 1 386.681 3.343 20 0 GGADMN CCCOc1ccc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 ZINC000274047132 565353928 /nfs/dbraw/zinc/35/39/28/565353928.db2.gz KJERUKOFZGODBR-UHFFFAOYSA-N 0 1 377.388 3.337 20 0 GGADMN Cc1sc(CCNC(=O)CN(C)[C@@H]2CCSC2)nc1-c1ccccc1 ZINC000164005800 565355182 /nfs/dbraw/zinc/35/51/82/565355182.db2.gz ACMXSZNAXGQZSX-MRXNPFEDSA-N 0 1 375.563 3.215 20 0 GGADMN Cn1ncc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1Br ZINC000274175370 565359447 /nfs/dbraw/zinc/35/94/47/565359447.db2.gz IYTSSZKLXWQZFY-CYBMUJFWSA-N 0 1 390.241 3.163 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnn(C)c3Br)[nH]c2c1 ZINC000274175322 565359814 /nfs/dbraw/zinc/35/98/14/565359814.db2.gz IYENGFQJCYYCRZ-CQSZACIVSA-N 0 1 388.269 3.345 20 0 GGADMN O=C(Nc1ccsc1Cl)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000187886219 565362069 /nfs/dbraw/zinc/36/20/69/565362069.db2.gz YBEKFKXTACDHFV-HNNXBMFYSA-N 0 1 377.897 3.293 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCCc2ccc(Br)cc2Cl)n[nH]1 ZINC000297212553 565362307 /nfs/dbraw/zinc/36/23/07/565362307.db2.gz DQJQCDDLBRIJFZ-QMMMGPOBSA-N 0 1 386.681 3.132 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c(C)o1 ZINC000164788991 565362713 /nfs/dbraw/zinc/36/27/13/565362713.db2.gz UEEHWRTWPAWCCZ-UHFFFAOYSA-N 0 1 392.202 3.077 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000297256531 565364595 /nfs/dbraw/zinc/36/45/95/565364595.db2.gz SKGJZCIMQKNSLY-UHFFFAOYSA-N 0 1 375.845 3.176 20 0 GGADMN CC(C)c1nc(CNC(=O)NCC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000297286969 565365467 /nfs/dbraw/zinc/36/54/67/565365467.db2.gz PTUUGMHGLMBJDQ-UHFFFAOYSA-N 0 1 392.301 3.222 20 0 GGADMN CN1CCCN(C(=O)Nc2cc(Cl)ccc2I)CC1 ZINC000297294951 565366689 /nfs/dbraw/zinc/36/66/89/565366689.db2.gz HIALXNWGQVGUFK-UHFFFAOYSA-N 0 1 393.656 3.114 20 0 GGADMN Brc1c(CN[C@@H]2CCO[C@@]3(CCSC3)C2)nc2ccccn21 ZINC000375069076 565366790 /nfs/dbraw/zinc/36/67/90/565366790.db2.gz HAJPDIQIQBFILV-WBMJQRKESA-N 0 1 382.327 3.241 20 0 GGADMN Cc1c(C(F)(F)F)nn(C)c1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000274332669 565368038 /nfs/dbraw/zinc/36/80/38/565368038.db2.gz DFSIDNGFSWYNHN-SNVBAGLBSA-N 0 1 375.420 3.233 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297333336 565368559 /nfs/dbraw/zinc/36/85/59/565368559.db2.gz NSDJOGIZFSEENB-VIFPVBQESA-N 0 1 396.264 3.014 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297333332 565368614 /nfs/dbraw/zinc/36/86/14/565368614.db2.gz NSDJOGIZFSEENB-SECBINFHSA-N 0 1 396.264 3.014 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2cc3cc(Br)ccc3[nH]2)n[nH]1 ZINC000274410347 565369796 /nfs/dbraw/zinc/36/97/96/565369796.db2.gz ZWMQQSDNIKUJFX-VIFPVBQESA-N 0 1 391.273 3.171 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cc3cc(Br)ccc3[nH]2)n[nH]1 ZINC000274410345 565370089 /nfs/dbraw/zinc/37/00/89/565370089.db2.gz ZWMQQSDNIKUJFX-SECBINFHSA-N 0 1 391.273 3.171 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)Nc3cccc(C)c3Br)CCO2)n[nH]1 ZINC000274415775 565370129 /nfs/dbraw/zinc/37/01/29/565370129.db2.gz NFNQPBDBNOXTTC-LBPRGKRZSA-N 0 1 394.273 3.043 20 0 GGADMN Cc1csc(C(=O)NCCCc2cn[nH]c2C)c1I ZINC000188015136 565370974 /nfs/dbraw/zinc/37/09/74/565370974.db2.gz YVAPIKKDFFKAMO-UHFFFAOYSA-N 0 1 389.262 3.055 20 0 GGADMN COCCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(Cl)c1 ZINC000274449122 565371412 /nfs/dbraw/zinc/37/14/12/565371412.db2.gz IIYAGPIYPRIGIY-KRWDZBQOSA-N 0 1 382.913 3.459 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000165955720 565372178 /nfs/dbraw/zinc/37/21/78/565372178.db2.gz BWPAMNLILVPBHV-UHFFFAOYSA-N 0 1 375.233 3.458 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cc(Cl)ccc1Cl ZINC000188043649 565373056 /nfs/dbraw/zinc/37/30/56/565373056.db2.gz 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565385358 /nfs/dbraw/zinc/38/53/58/565385358.db2.gz JEZACSNUNZSHBK-CYBMUJFWSA-N 0 1 391.269 3.377 20 0 GGADMN O=C(CN[C@H](CC1CC1)c1cc(F)cc(Br)c1)NC1CCOCC1 ZINC000188189934 565386977 /nfs/dbraw/zinc/38/69/77/565386977.db2.gz LDYBLSSUSJNPCG-QGZVFWFLSA-N 0 1 399.304 3.314 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1Cl ZINC000170688212 565386845 /nfs/dbraw/zinc/38/68/45/565386845.db2.gz AUYXSYKRUCUJCW-UHFFFAOYSA-N 0 1 387.244 3.297 20 0 GGADMN O=C(CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1)NC1CCOCC1 ZINC000188189960 565387215 /nfs/dbraw/zinc/38/72/15/565387215.db2.gz LDYBLSSUSJNPCG-KRWDZBQOSA-N 0 1 399.304 3.314 20 0 GGADMN CCOCCNC(=O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188192386 565387510 /nfs/dbraw/zinc/38/75/10/565387510.db2.gz BTKYQACWEYAMOY-MRXNPFEDSA-N 0 1 387.293 3.172 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(F)cc3Br)n2)o1 ZINC000188220583 565388480 /nfs/dbraw/zinc/38/84/80/565388480.db2.gz RVXTXHLNEAVDPO-UHFFFAOYSA-N 0 1 379.189 3.456 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](CCC(N)=O)C2)ccc1Br ZINC000170734366 565389197 /nfs/dbraw/zinc/38/91/97/565389197.db2.gz XTUZWWXWOQZTBC-UONOGXRCSA-N 0 1 396.329 3.062 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](CCC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000170736985 565389229 /nfs/dbraw/zinc/38/92/29/565389229.db2.gz KJOBMVGUFCKMAP-CHWSQXEVSA-N 0 1 386.323 3.148 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000188237271 565389522 /nfs/dbraw/zinc/38/95/22/565389522.db2.gz QIWCATMRMVLGDY-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN CN(C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000170756966 565391128 /nfs/dbraw/zinc/39/11/28/565391128.db2.gz PRMFFIWJEFFCDX-KRWDZBQOSA-N 0 1 377.941 3.179 20 0 GGADMN CS(=O)(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000188244123 565391214 /nfs/dbraw/zinc/39/12/14/565391214.db2.gz QZLBSOBEZLAQPD-UHFFFAOYSA-N 0 1 395.893 3.125 20 0 GGADMN CN(CCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC(F)(F)F ZINC000188259784 565391580 /nfs/dbraw/zinc/39/15/80/565391580.db2.gz YLYDYBGBGNCKFZ-UHFFFAOYSA-N 0 1 380.823 3.406 20 0 GGADMN Cc1csc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1I ZINC000188297409 565393004 /nfs/dbraw/zinc/39/30/04/565393004.db2.gz IPIHGEJIHVXFJP-NXEZZACHSA-N 0 1 390.290 3.016 20 0 GGADMN CCOC1CC(CCNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000188300356 565393573 /nfs/dbraw/zinc/39/35/73/565393573.db2.gz SMJPMHJQJADXQE-UHFFFAOYSA-N 0 1 398.269 3.211 20 0 GGADMN O=C(NCCc1cn2c(n1)SCC2)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000275125705 565393974 /nfs/dbraw/zinc/39/39/74/565393974.db2.gz MKAMSPFCNAZVIM-UHFFFAOYSA-N 0 1 379.898 3.066 20 0 GGADMN COC(=O)[C@H]1CC12CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC2 ZINC000275160452 565395405 /nfs/dbraw/zinc/39/54/05/565395405.db2.gz PXYAMWYEODIWLV-LLVKDONJSA-N 0 1 379.869 3.207 20 0 GGADMN CC1(C2CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)OCCO1 ZINC000275172218 565395688 /nfs/dbraw/zinc/39/56/88/565395688.db2.gz TWIQDTMSGZMQAW-UHFFFAOYSA-N 0 1 381.885 3.407 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC2 ZINC000275160454 565395698 /nfs/dbraw/zinc/39/56/98/565395698.db2.gz PXYAMWYEODIWLV-NSHDSACASA-N 0 1 379.869 3.207 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000298011352 565396163 /nfs/dbraw/zinc/39/61/63/565396163.db2.gz DWKVKHSNBUKYKA-OTYXRUKQSA-N 0 1 386.283 3.156 20 0 GGADMN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000275190183 565396490 /nfs/dbraw/zinc/39/64/90/565396490.db2.gz WRJMNIZYJZOGLM-GHMZBOCLSA-N 0 1 380.901 3.168 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000298006319 565396425 /nfs/dbraw/zinc/39/64/25/565396425.db2.gz DMWUSDOFTPMCLP-AWEZNQCLSA-N 0 1 377.901 3.335 20 0 GGADMN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000275190207 565396686 /nfs/dbraw/zinc/39/66/86/565396686.db2.gz WRJMNIZYJZOGLM-WDEREUQCSA-N 0 1 380.901 3.168 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(Cc1nc3ccc(Br)cc3n1C)CC2 ZINC000275180727 565396955 /nfs/dbraw/zinc/39/69/55/565396955.db2.gz WPOPPYUCHZLVNC-ZDUSSCGKSA-N 0 1 392.297 3.111 20 0 GGADMN OCCCCN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000170872331 565397459 /nfs/dbraw/zinc/39/74/59/565397459.db2.gz KMXNXOQPDIBEGA-UHFFFAOYSA-N 0 1 381.236 3.362 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3Br)cc2)CCN1 ZINC000188388352 565398785 /nfs/dbraw/zinc/39/87/85/565398785.db2.gz CKMLUQBKTCTGDC-CQSZACIVSA-N 0 1 389.293 3.462 20 0 GGADMN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1nnc[nH]1 ZINC000188398200 565399166 /nfs/dbraw/zinc/39/91/66/565399166.db2.gz QQOCIIOPOCFYSP-ZYHUDNBSSA-N 0 1 383.283 3.141 20 0 GGADMN CCN(Cc1ccccc1Br)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298091679 565399576 /nfs/dbraw/zinc/39/95/76/565399576.db2.gz LPFUEFLOJSQFAL-UHFFFAOYSA-N 0 1 378.274 3.176 20 0 GGADMN Nc1cc(Br)ccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000188409712 565400054 /nfs/dbraw/zinc/40/00/54/565400054.db2.gz FMAGMEBIGBOMDI-NSHDSACASA-N 0 1 390.285 3.047 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000298131721 565400893 /nfs/dbraw/zinc/40/08/93/565400893.db2.gz 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CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 ZINC000276967360 565469098 /nfs/dbraw/zinc/46/90/98/565469098.db2.gz XRWGDQAQHFLPPJ-DTWKUNHWSA-N 0 1 384.267 3.441 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C(=O)N1CCCC[C@@H]1C ZINC000189506216 565470758 /nfs/dbraw/zinc/47/07/58/565470758.db2.gz XQCCOOPRDSOTEO-QWRGUYRKSA-N 0 1 380.901 3.311 20 0 GGADMN O=C(Nc1cc2ccccc2nc1Br)N1CC[C@@H](N2CC=CC2)C1 ZINC000277038481 565472682 /nfs/dbraw/zinc/47/26/82/565472682.db2.gz GKFHFPUMSNOELD-CQSZACIVSA-N 0 1 387.281 3.475 20 0 GGADMN O=C(Cc1ccccc1Br)NC1CCN(Cc2cccnc2)CC1 ZINC000172243969 565473581 /nfs/dbraw/zinc/47/35/81/565473581.db2.gz AGFYQXOPPABFAO-UHFFFAOYSA-N 0 1 388.309 3.167 20 0 GGADMN CC(C)n1cc(CNC[C@@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000377300823 565473856 /nfs/dbraw/zinc/47/38/56/565473856.db2.gz OJYOUNHZUGKLAK-AWEZNQCLSA-N 0 1 378.318 3.238 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(F)cc(Br)c1 ZINC000172246106 565473861 /nfs/dbraw/zinc/47/38/61/565473861.db2.gz IUQJZTPBIIYCHJ-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN Cc1ccc([C@H](CNc2cnn(C)c(=O)c2Br)N2CCCC2)cc1 ZINC000301256716 565475349 /nfs/dbraw/zinc/47/53/49/565475349.db2.gz UFTBZTAQJQPMGK-INIZCTEOSA-N 0 1 391.313 3.100 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1cccc(Cl)c1Br ZINC000277122785 565477632 /nfs/dbraw/zinc/47/76/32/565477632.db2.gz XIXLOEHOEHDVLA-JTQLQIEISA-N 0 1 390.690 3.182 20 0 GGADMN Cc1[nH]ncc1CN1C(=O)[C@H](c2ccc(Br)cc2)N(C(C)C)C1=O ZINC000277136275 565477824 /nfs/dbraw/zinc/47/78/24/565477824.db2.gz AFFGPPMBUOZZBW-HNNXBMFYSA-N 0 1 391.269 3.395 20 0 GGADMN O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@@H]1CCCc2cn[nH]c21 ZINC000277218578 565483540 /nfs/dbraw/zinc/48/35/40/565483540.db2.gz FVXXIFYORZAIMF-ZIAGYGMSSA-N 0 1 379.247 3.257 20 0 GGADMN O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000277257988 565484478 /nfs/dbraw/zinc/48/44/78/565484478.db2.gz KKZKOEYAPPBMJR-CQSZACIVSA-N 0 1 375.694 3.131 20 0 GGADMN COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(Br)c1 ZINC000377546497 565484975 /nfs/dbraw/zinc/48/49/75/565484975.db2.gz AOLCELFHNSXOTI-CRAIPNDOSA-N 0 1 394.313 3.279 20 0 GGADMN NC(=O)c1cc(Cl)nnc1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000301452648 565486932 /nfs/dbraw/zinc/48/69/32/565486932.db2.gz UTPASJOJBCTZTO-CQSZACIVSA-N 0 1 380.279 3.131 20 0 GGADMN O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(CC2CCOCC2)CC1 ZINC000172461413 565487110 /nfs/dbraw/zinc/48/71/10/565487110.db2.gz NUIHVNBITKUKHQ-UHFFFAOYSA-N 0 1 375.271 3.317 20 0 GGADMN C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172464292 565487692 /nfs/dbraw/zinc/48/76/92/565487692.db2.gz GTCUEIPRLMPWFN-HNNXBMFYSA-N 0 1 382.957 3.391 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCN2CCC1CC2 ZINC000189791652 565488820 /nfs/dbraw/zinc/48/88/20/565488820.db2.gz SFIBRSAFUUWLAO-UHFFFAOYSA-N 0 1 381.929 3.086 20 0 GGADMN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172515738 565489325 /nfs/dbraw/zinc/48/93/25/565489325.db2.gz RRGFCHIXIATESD-UHFFFAOYSA-N 0 1 382.869 3.328 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccsc1Cl ZINC000189825163 565490949 /nfs/dbraw/zinc/49/09/49/565490949.db2.gz YGZXLQSVLDVBJH-AWEZNQCLSA-N 0 1 377.897 3.121 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)N(C)C ZINC000189876481 565494215 /nfs/dbraw/zinc/49/42/15/565494215.db2.gz KIYGRMYHJOPETA-HNNXBMFYSA-N 0 1 389.949 3.231 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000172615530 565495146 /nfs/dbraw/zinc/49/51/46/565495146.db2.gz UGIWZPHZHUUDKS-UHFFFAOYSA-N 0 1 380.235 3.358 20 0 GGADMN C[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000189911903 565496713 /nfs/dbraw/zinc/49/67/13/565496713.db2.gz RZHGZFQUWOCRJZ-CYBMUJFWSA-N 0 1 388.339 3.099 20 0 GGADMN CC(C)(O)CN(CC(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000189931049 565498277 /nfs/dbraw/zinc/49/82/77/565498277.db2.gz HXKAMANETCNECZ-UHFFFAOYSA-N 0 1 375.694 3.276 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189953118 565498626 /nfs/dbraw/zinc/49/86/26/565498626.db2.gz IVSNBQOHUFYLOV-OLZOCXBDSA-N 0 1 388.339 3.097 20 0 GGADMN COc1ccc(CNCCOCC(F)(F)C(F)F)c(Br)c1O ZINC000277466201 565499009 /nfs/dbraw/zinc/49/90/09/565499009.db2.gz JHAWCFNKRCXMNF-UHFFFAOYSA-N 0 1 390.171 3.170 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000172703698 565499982 /nfs/dbraw/zinc/49/99/82/565499982.db2.gz GVPGMXXKWTUBLC-VIFPVBQESA-N 0 1 378.445 3.326 20 0 GGADMN Cn1cncc1CN[C@H]1CCCOc2ccc(I)cc21 ZINC000377796072 565500163 /nfs/dbraw/zinc/50/01/63/565500163.db2.gz KQLVIRMDOZEEQO-AWEZNQCLSA-N 0 1 383.233 3.028 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2c(Cl)cccc2Cl)C1(C)C ZINC000189977044 565500563 /nfs/dbraw/zinc/50/05/63/565500563.db2.gz CPFOYMRRCGSQPS-CXAGYDPISA-N 0 1 375.296 3.088 20 0 GGADMN CC(C)CN1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000301633433 565500691 /nfs/dbraw/zinc/50/06/91/565500691.db2.gz DEELUVVOKDKNMR-UHFFFAOYSA-N 0 1 389.721 3.282 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2cccc(Cl)c2Cl)C1(C)C ZINC000190010182 565501898 /nfs/dbraw/zinc/50/18/98/565501898.db2.gz ACLFSFDXFUJDIA-CXAGYDPISA-N 0 1 375.296 3.088 20 0 GGADMN Cc1cc(Br)cnc1N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000301658203 565502050 /nfs/dbraw/zinc/50/20/50/565502050.db2.gz WEEQDBGEIYTLSG-HNNXBMFYSA-N 0 1 390.329 3.170 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2ccc(Cl)cc2Cl)C1(C)C ZINC000190012018 565502198 /nfs/dbraw/zinc/50/21/98/565502198.db2.gz QLHADPSQYQGSBK-YOEHRIQHSA-N 0 1 375.296 3.088 20 0 GGADMN CCN(CCCCOc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000172743766 565502643 /nfs/dbraw/zinc/50/26/43/565502643.db2.gz LHOVPOOPBZRAPB-CQSZACIVSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190052171 565504469 /nfs/dbraw/zinc/50/44/69/565504469.db2.gz NUJIRNQGGPJIKF-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN CC(C)[C@]1(CO)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000377963401 565506442 /nfs/dbraw/zinc/50/64/42/565506442.db2.gz DEYVFPLHFXXYAO-GOSISDBHSA-N 0 1 392.297 3.320 20 0 GGADMN O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000190112444 565508643 /nfs/dbraw/zinc/50/86/43/565508643.db2.gz JWTPVGYZHIFYBS-GFCCVEGCSA-N 0 1 376.806 3.153 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000190131420 565510121 /nfs/dbraw/zinc/51/01/21/565510121.db2.gz ARYHCVACUDPXTI-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000190131420 565510124 /nfs/dbraw/zinc/51/01/24/565510124.db2.gz ARYHCVACUDPXTI-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2NS(C)(=O)=O)c(Cl)c1 ZINC000172897144 565510666 /nfs/dbraw/zinc/51/06/66/565510666.db2.gz VYSVYGSBHYPWQU-UHFFFAOYSA-N 0 1 388.898 3.129 20 0 GGADMN C[S@@](=O)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000190151083 565511554 /nfs/dbraw/zinc/51/15/54/565511554.db2.gz KJLJGDBXVXQBQF-XMMPIXPASA-N 0 1 379.894 3.459 20 0 GGADMN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000190203480 565515312 /nfs/dbraw/zinc/51/53/12/565515312.db2.gz QGOWIGSPVWDREQ-UHFFFAOYSA-N 0 1 377.224 3.293 20 0 GGADMN Cc1nnc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2)n1C ZINC000378196818 565515723 /nfs/dbraw/zinc/51/57/23/565515723.db2.gz QUNCJIDCHMPXQQ-UHFFFAOYSA-N 0 1 380.832 3.384 20 0 GGADMN O=C(Nc1cc(Br)c(F)cc1F)[C@@H]1CCCN1C1CCOCC1 ZINC000190244940 565517790 /nfs/dbraw/zinc/51/77/90/565517790.db2.gz NXUNXWVKRBKTGR-HNNXBMFYSA-N 0 1 389.240 3.309 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000378242403 565517971 /nfs/dbraw/zinc/51/79/71/565517971.db2.gz CHSXWCKMKRETIG-NWDGAFQWSA-N 0 1 399.563 3.407 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccccc2I)n[nH]1 ZINC000277781504 565519486 /nfs/dbraw/zinc/51/94/86/565519486.db2.gz JIYCUIRJHPZZKY-ZJUUUORDSA-N 0 1 398.248 3.414 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1C(N)=O ZINC000190286138 565519976 /nfs/dbraw/zinc/51/99/76/565519976.db2.gz NVZDIEIGPJXRSV-UHFFFAOYSA-N 0 1 377.224 3.341 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1C(=O)NC(C)C ZINC000277776757 565520141 /nfs/dbraw/zinc/52/01/41/565520141.db2.gz XGKVVZQYXBJPOE-UHFFFAOYSA-N 0 1 385.848 3.122 20 0 GGADMN Nc1cc(N)nc(SCc2ncc(-c3cccc(Br)c3)o2)n1 ZINC000173024872 565520531 /nfs/dbraw/zinc/52/05/31/565520531.db2.gz DLOLGMOKINHXRL-UHFFFAOYSA-N 0 1 378.255 3.351 20 0 GGADMN COc1ccc([C@@H](C)Nc2cc(-n3cccn3)nc(N)n2)cc1Br ZINC000301969614 565521752 /nfs/dbraw/zinc/52/17/52/565521752.db2.gz BXTCERPKIONSIN-SNVBAGLBSA-N 0 1 389.257 3.189 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)Nc1cc(-n2cccn2)nc(N)n1 ZINC000301989289 565523445 /nfs/dbraw/zinc/52/34/45/565523445.db2.gz WYAKIAODVRBTQM-JTQLQIEISA-N 0 1 391.248 3.189 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000173089689 565525358 /nfs/dbraw/zinc/52/53/58/565525358.db2.gz TYITUBOPXCZNQT-BMIGLBTASA-N 0 1 383.279 3.199 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000173081011 565525671 /nfs/dbraw/zinc/52/56/71/565525671.db2.gz YKLUSPTVYUKZFD-OAHLLOKOSA-N 0 1 382.526 3.386 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000190379739 565526294 /nfs/dbraw/zinc/52/62/94/565526294.db2.gz BREIGNGOKOLLBL-LBPRGKRZSA-N 0 1 385.429 3.243 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000190379758 565526507 /nfs/dbraw/zinc/52/65/07/565526507.db2.gz BREIGNGOKOLLBL-GFCCVEGCSA-N 0 1 385.429 3.243 20 0 GGADMN Nc1nc(NCCOCc2ccc(Cl)cc2Cl)cc(-n2cccn2)n1 ZINC000302047512 565526952 /nfs/dbraw/zinc/52/69/52/565526952.db2.gz YVMWRSCJGJQEDH-UHFFFAOYSA-N 0 1 379.251 3.180 20 0 GGADMN COCCN1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302028970 565527212 /nfs/dbraw/zinc/52/72/12/565527212.db2.gz RIHYVSVOBBZFMS-UHFFFAOYSA-N 0 1 384.705 3.419 20 0 GGADMN Fc1cc(I)c(NCc2n[nH]c(C3CC3)n2)cc1F ZINC000190382485 565527985 /nfs/dbraw/zinc/52/79/85/565527985.db2.gz XCQAENQUPRHOQQ-UHFFFAOYSA-N 0 1 376.148 3.177 20 0 GGADMN O=C(CCC(F)(F)F)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000173118705 565528725 /nfs/dbraw/zinc/52/87/25/565528725.db2.gz ZVVDBOQOOHXBKF-UHFFFAOYSA-N 0 1 377.838 3.311 20 0 GGADMN CCOCCOc1ccc(Br)cc1NCc1n[nH]c(C2CC2)n1 ZINC000190395757 565528664 /nfs/dbraw/zinc/52/86/64/565528664.db2.gz FPZSJISDMHJDJJ-UHFFFAOYSA-N 0 1 381.274 3.472 20 0 GGADMN Cc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000173118344 565529204 /nfs/dbraw/zinc/52/92/04/565529204.db2.gz MGZFKHYTSPPFQQ-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000190419641 565530951 /nfs/dbraw/zinc/53/09/51/565530951.db2.gz DSNUTNWBLIDRCM-VIFPVBQESA-N 0 1 387.445 3.489 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190424965 565531066 /nfs/dbraw/zinc/53/10/66/565531066.db2.gz DNPHZMMIBBUKJJ-IRXDYDNUSA-N 0 1 394.364 3.488 20 0 GGADMN COC(=O)CCN1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)[C@H](C)C1 ZINC000302129763 565531711 /nfs/dbraw/zinc/53/17/11/565531711.db2.gz BNKUJWPOGRALNO-LLVKDONJSA-N 0 1 383.279 3.010 20 0 GGADMN C[C@@H](NC(=O)Cc1ccc(Br)cc1)C1(N2CCOCC2)CCCC1 ZINC000173181552 565533970 /nfs/dbraw/zinc/53/39/70/565533970.db2.gz OAIMEGJOYWVMKI-OAHLLOKOSA-N 0 1 395.341 3.141 20 0 GGADMN C[C@H](NC(=O)Cc1ccccc1Br)C1(N2CCOCC2)CCCC1 ZINC000173176476 565534127 /nfs/dbraw/zinc/53/41/27/565534127.db2.gz CNAIBQVPWUYTCO-HNNXBMFYSA-N 0 1 395.341 3.141 20 0 GGADMN C[C@H](NC(=O)CN1CCSC[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000190483973 565535479 /nfs/dbraw/zinc/53/54/79/565535479.db2.gz OXCKDVLZYSRDRV-STQMWFEESA-N 0 1 376.444 3.447 20 0 GGADMN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000173203995 565536129 /nfs/dbraw/zinc/53/61/29/565536129.db2.gz SDCPHZXNQCKSNO-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000173209516 565537576 /nfs/dbraw/zinc/53/75/76/565537576.db2.gz CAYPTGPZVRKETF-KBPBESRZSA-N 0 1 386.334 3.061 20 0 GGADMN CC(C)S(=O)(=O)CCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278063190 565537705 /nfs/dbraw/zinc/53/77/05/565537705.db2.gz FOOWBMMEYPCWSK-UHFFFAOYSA-N 0 1 379.444 3.124 20 0 GGADMN CN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@@H]1CCCN(C)C1 ZINC000173244874 565540478 /nfs/dbraw/zinc/54/04/78/565540478.db2.gz OEBCTIWROAEGAI-CYBMUJFWSA-N 0 1 376.913 3.447 20 0 GGADMN CN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@H]1CCCN(C)C1 ZINC000173244859 565540506 /nfs/dbraw/zinc/54/05/06/565540506.db2.gz OEBCTIWROAEGAI-ZDUSSCGKSA-N 0 1 376.913 3.447 20 0 GGADMN CN(C)[C@@H](CNc1ncc(Cn2cc(Br)cn2)s1)c1ccco1 ZINC000302447674 565541906 /nfs/dbraw/zinc/54/19/06/565541906.db2.gz OJTMDUYRXJOFLJ-ZDUSSCGKSA-N 0 1 396.314 3.458 20 0 GGADMN Fc1cccc(CNCCn2cc(Br)cn2)c1Br ZINC000386145077 565547033 /nfs/dbraw/zinc/54/70/33/565547033.db2.gz ODJQGKKBIODAIG-UHFFFAOYSA-N 0 1 377.055 3.337 20 0 GGADMN CCOC[C@H](O)CN[C@@H](C)c1ccc(Br)cc1Br ZINC000386442967 565548110 /nfs/dbraw/zinc/54/81/10/565548110.db2.gz QDGINDBZGYOKOA-GXSJLCMTSA-N 0 1 381.108 3.260 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000387315272 565549366 /nfs/dbraw/zinc/54/93/66/565549366.db2.gz QCOUCBGPRGVGLZ-CYBMUJFWSA-N 0 1 382.176 3.167 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000387315274 565549465 /nfs/dbraw/zinc/54/94/65/565549465.db2.gz QCOUCBGPRGVGLZ-ZDUSSCGKSA-N 0 1 382.176 3.167 20 0 GGADMN O=c1[nH]c(N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nc2[nH]ncc21 ZINC000302668660 565549554 /nfs/dbraw/zinc/54/95/54/565549554.db2.gz CWXOOXNWBOCCIP-JTQLQIEISA-N 0 1 379.251 3.446 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000173356335 565551791 /nfs/dbraw/zinc/55/17/91/565551791.db2.gz IGKZIOWFWGSCON-OAHLLOKOSA-N 0 1 398.345 3.016 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1C(F)(F)F ZINC000389020492 565552718 /nfs/dbraw/zinc/55/27/18/565552718.db2.gz LZDWMROMLCNUJD-JTQLQIEISA-N 0 1 377.204 3.434 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278361312 565553403 /nfs/dbraw/zinc/55/34/03/565553403.db2.gz FFGGHEDIYOVUPB-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000278361312 565553408 /nfs/dbraw/zinc/55/34/08/565553408.db2.gz FFGGHEDIYOVUPB-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CCS1 ZINC000190695765 565553346 /nfs/dbraw/zinc/55/33/46/565553346.db2.gz XRGFFFDCDSZQKI-MRXNPFEDSA-N 0 1 384.973 3.378 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000389805266 565554916 /nfs/dbraw/zinc/55/49/16/565554916.db2.gz LEBCISWGDDWBEK-KOLCDFICSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000389805266 565554919 /nfs/dbraw/zinc/55/49/19/565554919.db2.gz LEBCISWGDDWBEK-KOLCDFICSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000389805270 565554955 /nfs/dbraw/zinc/55/49/55/565554955.db2.gz LEBCISWGDDWBEK-ONGXEEELSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000389805270 565554957 /nfs/dbraw/zinc/55/49/57/565554957.db2.gz LEBCISWGDDWBEK-ONGXEEELSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000389805265 565555041 /nfs/dbraw/zinc/55/50/41/565555041.db2.gz LEBCISWGDDWBEK-GXSJLCMTSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000389805265 565555046 /nfs/dbraw/zinc/55/50/46/565555046.db2.gz LEBCISWGDDWBEK-GXSJLCMTSA-N 0 1 389.677 3.084 20 0 GGADMN COC(=O)[C@]1(C)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000190743710 565556433 /nfs/dbraw/zinc/55/64/33/565556433.db2.gz SFZPQMCSPATIIV-KRWDZBQOSA-N 0 1 392.253 3.007 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cccc(Br)c1)N(C)Cc1ccccc1 ZINC000390806164 565557638 /nfs/dbraw/zinc/55/76/38/565557638.db2.gz JFOBZZFBDMXPHG-CQSZACIVSA-N 0 1 397.338 3.248 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN(C)CCOc2cccc(Cl)c2)c1 ZINC000302805736 565558172 /nfs/dbraw/zinc/55/81/72/565558172.db2.gz MZHSBQYJYYTTPX-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN COc1ccnc(N2CCN(c3ncc(Cl)cc3Br)CC2)c1 ZINC000302820595 565559159 /nfs/dbraw/zinc/55/91/59/565559159.db2.gz JTTUGOOEWKSSKS-UHFFFAOYSA-N 0 1 383.677 3.228 20 0 GGADMN CSC[C@@H](O)CN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190791541 565559509 /nfs/dbraw/zinc/55/95/09/565559509.db2.gz CUWXMWIHIGVOHT-SMDDNHRTSA-N 0 1 398.326 3.360 20 0 GGADMN Brc1ccccc1-c1noc([C@@H]2CCCN2CCC2OCCO2)n1 ZINC000190794662 565559670 /nfs/dbraw/zinc/55/96/70/565559670.db2.gz DJJQTTNGMOYRRB-AWEZNQCLSA-N 0 1 394.269 3.399 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000390959935 565560335 /nfs/dbraw/zinc/56/03/35/565560335.db2.gz LTBBGHRJJGXTSR-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN NC(=O)[C@H](NCCc1ccccc1OC(F)F)c1cccc(Br)c1 ZINC000190827097 565561731 /nfs/dbraw/zinc/56/17/31/565561731.db2.gz ZMHSIJUPGCOALB-OAHLLOKOSA-N 0 1 399.235 3.409 20 0 GGADMN O[C@H](CNc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(Cl)c(F)c1 ZINC000302882183 565561963 /nfs/dbraw/zinc/56/19/63/565561963.db2.gz JPRDWKLDYLSESP-SECBINFHSA-N 0 1 375.713 3.310 20 0 GGADMN O=C(NCCNCc1nccn1-c1ccccc1)c1ccc(Br)cc1 ZINC000190844672 565562832 /nfs/dbraw/zinc/56/28/32/565562832.db2.gz IAQXVSAIGFYKHA-UHFFFAOYSA-N 0 1 399.292 3.154 20 0 GGADMN O[C@@H](CNc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(Cl)c(F)c1 ZINC000302882184 565563125 /nfs/dbraw/zinc/56/31/25/565563125.db2.gz JPRDWKLDYLSESP-VIFPVBQESA-N 0 1 375.713 3.310 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1NCc1cc(Br)cc2c1OCC2 ZINC000392371824 565564072 /nfs/dbraw/zinc/56/40/72/565564072.db2.gz MAEWRTNCBMALAP-QGZVFWFLSA-N 0 1 387.277 3.427 20 0 GGADMN COc1cc(Br)ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000302926046 565565100 /nfs/dbraw/zinc/56/51/00/565565100.db2.gz PRDZMYRVTPBERQ-INIZCTEOSA-N 0 1 389.293 3.462 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2ccc(Br)cc2C(F)(F)F)n[nH]1 ZINC000392563569 565566280 /nfs/dbraw/zinc/56/62/80/565566280.db2.gz HYHNCBXQAIWIHZ-LURJTMIESA-N 0 1 377.164 3.385 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ncc(Br)cc1F ZINC000278584875 565567696 /nfs/dbraw/zinc/56/76/96/565567696.db2.gz YLXQMFHKEQVZKJ-WCQYABFASA-N 0 1 382.281 3.036 20 0 GGADMN CC(C)(CO)CCCNCc1ncc(Br)cc1Br ZINC000393411359 565568092 /nfs/dbraw/zinc/56/80/92/565568092.db2.gz ZBIORWQRGORILA-UHFFFAOYSA-N 0 1 380.124 3.495 20 0 GGADMN CCOC(=O)C1CCC(O)(CN2CCc3cccc(Br)c3C2)CC1 ZINC000190901243 565569029 /nfs/dbraw/zinc/56/90/29/565569029.db2.gz ROYNIUQYSICPJM-UHFFFAOYSA-N 0 1 396.325 3.292 20 0 GGADMN CCOCCN1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000303329446 565569740 /nfs/dbraw/zinc/56/97/40/565569740.db2.gz WOBLEOFDCXPKGI-UHFFFAOYSA-N 0 1 393.272 3.205 20 0 GGADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000393801836 565570138 /nfs/dbraw/zinc/57/01/38/565570138.db2.gz MLZODSIVVRSHPR-OAHLLOKOSA-N 0 1 375.266 3.159 20 0 GGADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000393801836 565570142 /nfs/dbraw/zinc/57/01/42/565570142.db2.gz MLZODSIVVRSHPR-OAHLLOKOSA-N 0 1 375.266 3.159 20 0 GGADMN O[C@@H]1CCC[C@H](CNCc2c(Br)cncc2Br)C1 ZINC000394512937 565570766 /nfs/dbraw/zinc/57/07/66/565570766.db2.gz CDDIWUAEOFLJSU-VHSXEESVSA-N 0 1 378.108 3.247 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000173625216 565570950 /nfs/dbraw/zinc/57/09/50/565570950.db2.gz DXPIABCRXOHLTO-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000303523022 565571018 /nfs/dbraw/zinc/57/10/18/565571018.db2.gz ZMBCQLJTHBKDKO-GFCCVEGCSA-N 0 1 378.460 3.283 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000303523022 565571022 /nfs/dbraw/zinc/57/10/22/565571022.db2.gz ZMBCQLJTHBKDKO-GFCCVEGCSA-N 0 1 378.460 3.283 20 0 GGADMN CC(C)(C)C[C@H](CO)NCc1c(Br)cncc1Br ZINC000394525819 565571455 /nfs/dbraw/zinc/57/14/55/565571455.db2.gz KWOHQFBRKCIKGX-SECBINFHSA-N 0 1 380.124 3.493 20 0 GGADMN COc1ccc(Br)cc1[C@H]1CCCN1CCCN1CCOCC1 ZINC000173610761 565571040 /nfs/dbraw/zinc/57/10/40/565571040.db2.gz QTQRASSYCOLDJA-QGZVFWFLSA-N 0 1 383.330 3.317 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000303523023 565571488 /nfs/dbraw/zinc/57/14/88/565571488.db2.gz ZMBCQLJTHBKDKO-LBPRGKRZSA-N 0 1 378.460 3.283 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000303523023 565571493 /nfs/dbraw/zinc/57/14/93/565571493.db2.gz ZMBCQLJTHBKDKO-LBPRGKRZSA-N 0 1 378.460 3.283 20 0 GGADMN C[C@H](NCc1cc(Br)cc(Br)c1)C(=O)N1CCCC1 ZINC000394594542 565572042 /nfs/dbraw/zinc/57/20/42/565572042.db2.gz ZCYNLDUEXAWKDK-JTQLQIEISA-N 0 1 390.119 3.312 20 0 GGADMN CC(C)(O)C(C)(C)CNCc1c(Br)cncc1Br ZINC000394633625 565572117 /nfs/dbraw/zinc/57/21/17/565572117.db2.gz OFZKLAKRKXJSOS-UHFFFAOYSA-N 0 1 380.124 3.493 20 0 GGADMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000395354916 565573881 /nfs/dbraw/zinc/57/38/81/565573881.db2.gz KDHARVARVQLMCI-AWEZNQCLSA-N 0 1 380.286 3.482 20 0 GGADMN CC1(C)C[C@@H](O)CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000395354916 565573886 /nfs/dbraw/zinc/57/38/86/565573886.db2.gz KDHARVARVQLMCI-AWEZNQCLSA-N 0 1 380.286 3.482 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(Br)oc2C)N(C)C)c1 ZINC000396686470 565573992 /nfs/dbraw/zinc/57/39/92/565573992.db2.gz RDMULIIQTWOUGL-HNNXBMFYSA-N 0 1 381.270 3.392 20 0 GGADMN C[C@H]1CCCN(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000303777227 565573999 /nfs/dbraw/zinc/57/39/99/565573999.db2.gz GHPQXOOUKNUWCK-NSHDSACASA-N 0 1 384.851 3.369 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CC[C@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375234 565574094 /nfs/dbraw/zinc/57/40/94/565574094.db2.gz PIXZVDUWWIQTTM-BBRMVZONSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375234 565574099 /nfs/dbraw/zinc/57/40/99/565574099.db2.gz PIXZVDUWWIQTTM-BBRMVZONSA-N 0 1 383.330 3.109 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000303715817 565574201 /nfs/dbraw/zinc/57/42/01/565574201.db2.gz AAKKKLIONCFIRS-IUODEOHRSA-N 0 1 387.293 3.154 20 0 GGADMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccc(I)cc1 ZINC000303762801 565574291 /nfs/dbraw/zinc/57/42/91/565574291.db2.gz LFHJMGNDIQGFOS-LLVKDONJSA-N 0 1 392.306 3.303 20 0 GGADMN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000397348027 565574838 /nfs/dbraw/zinc/57/48/38/565574838.db2.gz FTHITQBQGDTVDL-UHFFFAOYSA-N 0 1 390.130 3.162 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccco1 ZINC000303829066 565575166 /nfs/dbraw/zinc/57/51/66/565575166.db2.gz GZXRAIRPVAOTNY-LBPRGKRZSA-N 0 1 387.661 3.434 20 0 GGADMN C[C@@H]1CN(C(=O)CN(C)CC2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000303917494 565575398 /nfs/dbraw/zinc/57/53/98/565575398.db2.gz SVOAVFLRRKQPBQ-GASCZTMLSA-N 0 1 395.341 3.048 20 0 GGADMN COC[C@H](NCc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000278749578 565575555 /nfs/dbraw/zinc/57/55/55/565575555.db2.gz AROGSRHRDOFZGC-DLBZAZTESA-N 0 1 392.297 3.190 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000310367564 565577371 /nfs/dbraw/zinc/57/73/71/565577371.db2.gz MPUFSDOTLCXNIH-INIZCTEOSA-N 0 1 388.309 3.486 20 0 GGADMN O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000310076013 565578403 /nfs/dbraw/zinc/57/84/03/565578403.db2.gz GLORZDBFMAAIKL-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000310076013 565578408 /nfs/dbraw/zinc/57/84/08/565578408.db2.gz GLORZDBFMAAIKL-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN CN(Cc1ncc(-c2cccc(Br)c2)o1)C1(CO)CCOCC1 ZINC000191021897 565578605 /nfs/dbraw/zinc/57/86/05/565578605.db2.gz FUBZZZJFWDFHEC-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN Fc1cc(F)cc(CCNCc2ncc(I)s2)c1 ZINC000310694515 565579876 /nfs/dbraw/zinc/57/98/76/565579876.db2.gz TUOLUTDQQZCWHN-UHFFFAOYSA-N 0 1 380.201 3.358 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000278833967 565579830 /nfs/dbraw/zinc/57/98/30/565579830.db2.gz JZGPSBGYEMYIME-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN COc1cccc(CNCCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000191039729 565579829 /nfs/dbraw/zinc/57/98/29/565579829.db2.gz UPBCWHMFNUMGCP-UHFFFAOYSA-N 0 1 378.270 3.280 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000278843777 565580576 /nfs/dbraw/zinc/58/05/76/565580576.db2.gz LGGXRJVUBAYXJB-NSHDSACASA-N 0 1 375.271 3.458 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000278843774 565580607 /nfs/dbraw/zinc/58/06/07/565580607.db2.gz LGGXRJVUBAYXJB-LLVKDONJSA-N 0 1 375.271 3.458 20 0 GGADMN COCCOC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173731810 565580730 /nfs/dbraw/zinc/58/07/30/565580730.db2.gz IEJGRAFYYJBPDZ-GJZGRUSLSA-N 0 1 399.329 3.069 20 0 GGADMN C[C@H](NC(=O)CN1CCC(CCCO)CC1)c1ccc(Br)cc1 ZINC000401069703 565580817 /nfs/dbraw/zinc/58/08/17/565580817.db2.gz MOVFWDPMELJXBG-AWEZNQCLSA-N 0 1 383.330 3.111 20 0 GGADMN Cc1nnc(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)[nH]1 ZINC000191068695 565580994 /nfs/dbraw/zinc/58/09/94/565580994.db2.gz DLRNJRTYGMCAII-UHFFFAOYSA-N 0 1 381.223 3.431 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(Br)s1 ZINC000278837971 565581135 /nfs/dbraw/zinc/58/11/35/565581135.db2.gz KOKGIYRTIPYRJT-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000191082133 565581509 /nfs/dbraw/zinc/58/15/09/565581509.db2.gz VJYZKIRJDDOCAK-MRXNPFEDSA-N 0 1 376.444 3.014 20 0 GGADMN Cc1ccoc1C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000191088173 565581721 /nfs/dbraw/zinc/58/17/21/565581721.db2.gz RCVXJNLOXAJINE-UHFFFAOYSA-N 0 1 392.297 3.350 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278862388 565581975 /nfs/dbraw/zinc/58/19/75/565581975.db2.gz NFDBJNYPMZRYSB-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278862470 565582036 /nfs/dbraw/zinc/58/20/36/565582036.db2.gz NGABFOHOJRCGFZ-LBPRGKRZSA-N 0 1 387.307 3.327 20 0 GGADMN CCNC(=O)C(C)(C)NCc1ccc(Br)c(Br)c1 ZINC000312883915 565583113 /nfs/dbraw/zinc/58/31/13/565583113.db2.gz HQEBFQXOBITNJY-UHFFFAOYSA-N 0 1 378.108 3.216 20 0 GGADMN CCNC(=O)C(C)(C)NCc1cc(Br)cc(Br)c1 ZINC000312872911 565583129 /nfs/dbraw/zinc/58/31/29/565583129.db2.gz ASFDICOTFWUNCZ-UHFFFAOYSA-N 0 1 378.108 3.216 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H]3CCSc4ccc(Cl)cc43)C2=O)n(C)n1 ZINC000173765449 565583824 /nfs/dbraw/zinc/58/38/24/565583824.db2.gz KHWRXWWEUVXYOD-LSDHHAIUSA-N 0 1 376.913 3.314 20 0 GGADMN COCCN(Cc1cccnc1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000191119308 565583879 /nfs/dbraw/zinc/58/38/79/565583879.db2.gz FUTXFPNBJCVXOV-QGZVFWFLSA-N 0 1 383.261 3.165 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CNCc2ccc(Br)s2)c1 ZINC000313748725 565584235 /nfs/dbraw/zinc/58/42/35/565584235.db2.gz FAYCYJYGACKNGW-UHFFFAOYSA-N 0 1 389.340 3.051 20 0 GGADMN COCCN(Cc1cccnc1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000191126095 565584343 /nfs/dbraw/zinc/58/43/43/565584343.db2.gz VWBWRLUIQJELGB-INIZCTEOSA-N 0 1 385.291 3.277 20 0 GGADMN COc1ccc(Br)cc1C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000313342134 565584598 /nfs/dbraw/zinc/58/45/98/565584598.db2.gz DVSNAMXEGJZJTO-INIZCTEOSA-N 0 1 375.266 3.244 20 0 GGADMN C[C@@H](CC[S@@](C)=O)NCc1cc(Cl)ccc1I ZINC000405291328 565585396 /nfs/dbraw/zinc/58/53/96/565585396.db2.gz HNLIWMXLJYWGMM-HUTHGQBESA-N 0 1 385.698 3.191 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278932503 565585597 /nfs/dbraw/zinc/58/55/97/565585597.db2.gz WJVCWMCHMUUILP-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@@H](CC[S@](C)=O)NCc1cc(Cl)ccc1I ZINC000405291331 565585863 /nfs/dbraw/zinc/58/58/63/565585863.db2.gz HNLIWMXLJYWGMM-XYZCENFISA-N 0 1 385.698 3.191 20 0 GGADMN C[C@H](CC[S@@](C)=O)NCc1cc(Cl)ccc1I ZINC000405291329 565585908 /nfs/dbraw/zinc/58/59/08/565585908.db2.gz HNLIWMXLJYWGMM-VVVCHXIZSA-N 0 1 385.698 3.191 20 0 GGADMN NC(=O)[C@H](NCCc1c[nH]c2ccccc12)c1ccc(Br)cc1F ZINC000173797842 565587032 /nfs/dbraw/zinc/58/70/32/565587032.db2.gz FTVKBQBRQPFIHT-QGZVFWFLSA-N 0 1 390.256 3.428 20 0 GGADMN O=C(CNCc1ccc(Br)s1)Nc1ccc2c(c1)OCCO2 ZINC000314440468 565587971 /nfs/dbraw/zinc/58/79/71/565587971.db2.gz HWYKANJGSFKEMQ-UHFFFAOYSA-N 0 1 383.267 3.010 20 0 GGADMN O=S(=O)(Nc1cccc(-n2cccc2)c1)c1cncc(Br)c1 ZINC000314806501 565588622 /nfs/dbraw/zinc/58/86/22/565588622.db2.gz MOGFMQMSTAKPJL-UHFFFAOYSA-N 0 1 378.251 3.436 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CNCc2cc(Br)cs2)c1 ZINC000314928104 565589102 /nfs/dbraw/zinc/58/91/02/565589102.db2.gz WUCWIIGZNISUMC-UHFFFAOYSA-N 0 1 389.340 3.051 20 0 GGADMN Cc1ccc(S(=O)(=O)N(CCN(C)C)C2CCCC2)c(Br)c1 ZINC000314945502 565589194 /nfs/dbraw/zinc/58/91/94/565589194.db2.gz ROJJNZLQMQTZSQ-UHFFFAOYSA-N 0 1 389.359 3.252 20 0 GGADMN O=C(CCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1)N1CCOCC1 ZINC000191251960 565591099 /nfs/dbraw/zinc/59/10/99/565591099.db2.gz XZRXNLKUYUFUJK-UHFFFAOYSA-N 0 1 376.806 3.186 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000316547021 565591575 /nfs/dbraw/zinc/59/15/75/565591575.db2.gz LZIFRAJHOGTSBO-UHFFFAOYSA-N 0 1 399.295 3.201 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1Br ZINC000279049104 565592070 /nfs/dbraw/zinc/59/20/70/565592070.db2.gz OGOMRQFBVOTQHI-AWEZNQCLSA-N 0 1 392.297 3.414 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1Br ZINC000279037526 565592458 /nfs/dbraw/zinc/59/24/58/565592458.db2.gz NLMXAISHSGFLMP-DJNLSKAYSA-N 0 1 398.326 3.305 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000316873007 565592459 /nfs/dbraw/zinc/59/24/59/565592459.db2.gz OZPTYNQDVZMAAJ-OAHLLOKOSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1nn(C)c(CNCCc2nc(-c3ccncc3)cs2)c1Br ZINC000279075134 565593507 /nfs/dbraw/zinc/59/35/07/565593507.db2.gz GKVBSQSJYBWFKE-UHFFFAOYSA-N 0 1 392.326 3.342 20 0 GGADMN Cc1sc(Br)c(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1C ZINC000408068603 565593660 /nfs/dbraw/zinc/59/36/60/565593660.db2.gz WPWJRQHJYIEQCX-VIFPVBQESA-N 0 1 386.271 3.236 20 0 GGADMN Cc1ncsc1CCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191300438 565594947 /nfs/dbraw/zinc/59/49/47/565594947.db2.gz JVCZCOQLRSJZOS-UHFFFAOYSA-N 0 1 377.461 3.077 20 0 GGADMN Cc1nn(C)c(CNC[C@@H](O)c2ccc(OC(C)C)cc2)c1Br ZINC000279099827 565595946 /nfs/dbraw/zinc/59/59/46/565595946.db2.gz JEWVYJSTETZUPX-MRXNPFEDSA-N 0 1 382.302 3.101 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC[C@H]3CCOC3=O)n2)cc1Br ZINC000191315576 565596179 /nfs/dbraw/zinc/59/61/79/565596179.db2.gz GIGMJQGXGKDCAA-SECBINFHSA-N 0 1 398.282 3.288 20 0 GGADMN COC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000279119354 565596572 /nfs/dbraw/zinc/59/65/72/565596572.db2.gz ULOGGOYXYUACGY-OLZOCXBDSA-N 0 1 381.687 3.369 20 0 GGADMN CC(C)(C)NC(=O)CNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318908231 565596888 /nfs/dbraw/zinc/59/68/88/565596888.db2.gz AXRDDCNICCZMMJ-UHFFFAOYSA-N 0 1 383.208 3.352 20 0 GGADMN Cc1nn(C)c(CNc2cccc(N3CCC[NH+]=C3[O-])c2)c1Br ZINC000279123755 565597181 /nfs/dbraw/zinc/59/71/81/565597181.db2.gz LYEZFTPAQVQGHD-UHFFFAOYSA-N 0 1 378.274 3.023 20 0 GGADMN OCCn1ncc2c1CCC[C@@H]2NCc1cc(Br)ccc1Cl ZINC000318488459 565597425 /nfs/dbraw/zinc/59/74/25/565597425.db2.gz LPVQMCFPIZLMHP-HNNXBMFYSA-N 0 1 384.705 3.459 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2nc(-c3ccccc3F)cs2)[nH]1 ZINC000279144679 565597699 /nfs/dbraw/zinc/59/76/99/565597699.db2.gz ZLVKROYVYPEDPR-UHFFFAOYSA-N 0 1 377.470 3.174 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3cc(Br)ccc3C)CC2)n[nH]1 ZINC000408176031 565597778 /nfs/dbraw/zinc/59/77/78/565597778.db2.gz BKZFHVXLKIDYHM-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000319003332 565597792 /nfs/dbraw/zinc/59/77/92/565597792.db2.gz WVUPMHQLVPCVDW-UHFFFAOYSA-N 0 1 393.322 3.083 20 0 GGADMN CC(C)NC(=O)[C@@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318954668 565597852 /nfs/dbraw/zinc/59/78/52/565597852.db2.gz BOLZJFAZWJPTEQ-SECBINFHSA-N 0 1 383.208 3.350 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)n[nH]1 ZINC000408178203 565598487 /nfs/dbraw/zinc/59/84/87/565598487.db2.gz PGBRAPKAINVREG-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN COC[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(Cl)cc1 ZINC000279171135 565598979 /nfs/dbraw/zinc/59/89/79/565598979.db2.gz HHPULCZXLYYFMD-SNVBAGLBSA-N 0 1 375.928 3.076 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCN1C ZINC000408207782 565599712 /nfs/dbraw/zinc/59/97/12/565599712.db2.gz UFQQXDABUQTTOR-CHWSQXEVSA-N 0 1 392.301 3.191 20 0 GGADMN Clc1sc(CN2CC[C@H](CN3CCOCC3)C2)cc1Br ZINC000191402651 565601275 /nfs/dbraw/zinc/60/12/75/565601275.db2.gz XKXFJQBVRDKWKH-LLVKDONJSA-N 0 1 379.751 3.318 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc(Br)o2)c1 ZINC000191397232 565601337 /nfs/dbraw/zinc/60/13/37/565601337.db2.gz ILWAPBDUYUKHCW-OAHLLOKOSA-N 0 1 378.270 3.104 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1Br ZINC000408272223 565601786 /nfs/dbraw/zinc/60/17/86/565601786.db2.gz ZZFRGGOMRSGUBB-GOSISDBHSA-N 0 1 390.281 3.049 20 0 GGADMN CC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2O)CC1 ZINC000408305565 565602725 /nfs/dbraw/zinc/60/27/25/565602725.db2.gz LAHFWFFYPVXAND-UHFFFAOYSA-N 0 1 375.650 3.005 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCCCC2)nc1)c1cncc(Br)c1 ZINC000320771227 565603327 /nfs/dbraw/zinc/60/33/27/565603327.db2.gz GSDQYEWJNNSKCN-UHFFFAOYSA-N 0 1 397.298 3.030 20 0 GGADMN COc1ccc(Br)cc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000321101810 565604098 /nfs/dbraw/zinc/60/40/98/565604098.db2.gz MMZQATJMKRQYHI-INIZCTEOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(Br)cc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000321101810 565604103 /nfs/dbraw/zinc/60/41/03/565604103.db2.gz MMZQATJMKRQYHI-INIZCTEOSA-N 0 1 376.250 3.469 20 0 GGADMN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000320985301 565604187 /nfs/dbraw/zinc/60/41/87/565604187.db2.gz BQAOVNKONGWJFJ-UHFFFAOYSA-N 0 1 398.282 3.239 20 0 GGADMN C[C@H](NCc1cc(F)ccc1Br)c1cccc(-n2cnnn2)c1 ZINC000321004057 565604209 /nfs/dbraw/zinc/60/42/09/565604209.db2.gz OCTCNMUZXFQMLZ-NSHDSACASA-N 0 1 376.233 3.415 20 0 GGADMN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000320795990 565604282 /nfs/dbraw/zinc/60/42/82/565604282.db2.gz JUOVQLNFFYANGP-UHFFFAOYSA-N 0 1 398.282 3.239 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000321096943 565604383 /nfs/dbraw/zinc/60/43/83/565604383.db2.gz VUTXZEGLCMEIKO-CYBMUJFWSA-N 0 1 380.242 3.328 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000321154495 565604667 /nfs/dbraw/zinc/60/46/67/565604667.db2.gz WOTWLMMNEDHNQI-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN CCCCCC(=O)NC1CCN(C(=O)c2n[nH]c(CC)c2Br)CC1 ZINC000279269766 565605198 /nfs/dbraw/zinc/60/51/98/565605198.db2.gz ROAIDNDIWLBCDO-UHFFFAOYSA-N 0 1 399.333 3.036 20 0 GGADMN O=C(CN(Cc1cccc(Br)c1)CC1CC1)NCc1cccnc1 ZINC000191460972 565605999 /nfs/dbraw/zinc/60/59/99/565605999.db2.gz UVVVRNMHHMDHOD-UHFFFAOYSA-N 0 1 388.309 3.373 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000174039732 565608824 /nfs/dbraw/zinc/60/88/24/565608824.db2.gz NBWLVECDCLMKIW-UHFFFAOYSA-N 0 1 379.913 3.280 20 0 GGADMN Cc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1Br ZINC000322387620 565609429 /nfs/dbraw/zinc/60/94/29/565609429.db2.gz PFULSHGOMKIUPH-INIZCTEOSA-N 0 1 381.314 3.084 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1nc(C(C)(C)C)no1 ZINC000174035152 565609711 /nfs/dbraw/zinc/60/97/11/565609711.db2.gz XTTAHPZGDCCPJT-ZETCQYMHSA-N 0 1 394.316 3.231 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)c2nnnn2C2CC2)n1 ZINC000191521613 565610455 /nfs/dbraw/zinc/61/04/55/565610455.db2.gz WCMTWIPSJNPPBK-QMMMGPOBSA-N 0 1 377.861 3.308 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ncc(Cc3ccccc3F)s2)[nH]1 ZINC000174057611 565610752 /nfs/dbraw/zinc/61/07/52/565610752.db2.gz QFBJRLGIMRDIFQ-UHFFFAOYSA-N 0 1 377.470 3.420 20 0 GGADMN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cncc(Br)c2)c1 ZINC000191549136 565612709 /nfs/dbraw/zinc/61/27/09/565612709.db2.gz AUGHVIJJWGLPMH-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN C[C@H]1OCC[C@]12CN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)C[C@@H](C)O2 ZINC000279453894 565613462 /nfs/dbraw/zinc/61/34/62/565613462.db2.gz VSPFWTOTPIMPFJ-AGKHESDQSA-N 0 1 381.885 3.200 20 0 GGADMN O=C(CN(C[C@H]1CCOC1)C1CC1)Nc1c(F)cc(F)cc1Br ZINC000174124187 565614497 /nfs/dbraw/zinc/61/44/97/565614497.db2.gz DHFKFTGIAXOZHW-SNVBAGLBSA-N 0 1 389.240 3.167 20 0 GGADMN O=C([O-])[C@]1([NH2+]Cc2cc(F)ccc2Br)CCOc2ccccc21 ZINC000409447454 565615132 /nfs/dbraw/zinc/61/51/32/565615132.db2.gz FPHIOTAJZGGOKO-KRWDZBQOSA-N 0 1 380.213 3.440 20 0 GGADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCCOC1 ZINC000174154613 565616689 /nfs/dbraw/zinc/61/66/89/565616689.db2.gz DBXLTNIFEZSFRL-SNVBAGLBSA-N 0 1 377.229 3.024 20 0 GGADMN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCN(CC2CC2)CC1 ZINC000409478261 565617048 /nfs/dbraw/zinc/61/70/48/565617048.db2.gz LSVUYEDSQWWZGW-AZUAARDMSA-N 0 1 389.337 3.207 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174164904 565617682 /nfs/dbraw/zinc/61/76/82/565617682.db2.gz PRPJCLRFZYQBMY-VNQPRFMTSA-N 0 1 383.319 3.278 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174163153 565617899 /nfs/dbraw/zinc/61/78/99/565617899.db2.gz XIEYDQDTXPMCLY-INIZCTEOSA-N 0 1 382.957 3.393 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000174175409 565619483 /nfs/dbraw/zinc/61/94/83/565619483.db2.gz ICABTYFYEABRKT-UHFFFAOYSA-N 0 1 384.284 3.024 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174207366 565619963 /nfs/dbraw/zinc/61/99/63/565619963.db2.gz 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/nfs/dbraw/zinc/62/18/02/565621802.db2.gz PMMLMAVPJSJILE-HNNXBMFYSA-N 0 1 383.330 3.144 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191688435 565621808 /nfs/dbraw/zinc/62/18/08/565621808.db2.gz QGLPIPVTNVUYPG-RHSMWYFYSA-N 0 1 383.330 3.021 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191688406 565622146 /nfs/dbraw/zinc/62/21/46/565622146.db2.gz QGLPIPVTNVUYPG-PBHICJAKSA-N 0 1 383.330 3.021 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)c1Br ZINC000279620216 565623008 /nfs/dbraw/zinc/62/30/08/565623008.db2.gz ZTOUJVLFMDCAJW-SNVBAGLBSA-N 0 1 380.242 3.205 20 0 GGADMN O=S(=O)(Nc1nc2c(s1)CCCCCC2)c1ccc2c(c1)OCCO2 ZINC000409550147 565623526 /nfs/dbraw/zinc/62/35/26/565623526.db2.gz CYMQQXPZWJHKFE-UHFFFAOYSA-N 0 1 380.491 3.374 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CCOCC(F)F)CC1 ZINC000191715476 565624459 /nfs/dbraw/zinc/62/44/59/565624459.db2.gz QJRLSSPDDLYDCG-UHFFFAOYSA-N 0 1 375.847 3.092 20 0 GGADMN COc1cccc(O[C@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174256307 565624583 /nfs/dbraw/zinc/62/45/83/565624583.db2.gz OUFHJNQCBDLCGW-SJKOYZFVSA-N 0 1 393.281 3.041 20 0 GGADMN Cc1ccccc1O[C@H](C)CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174258793 565624838 /nfs/dbraw/zinc/62/48/38/565624838.db2.gz FHUZECTXHHXKEU-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCSC(C)(C)CC2)cc1 ZINC000279656146 565624908 /nfs/dbraw/zinc/62/49/08/565624908.db2.gz CDXMKBJLQCQGCN-UHFFFAOYSA-N 0 1 384.567 3.026 20 0 GGADMN Cc1ccccc1O[C@@H](C)CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174258779 565624922 /nfs/dbraw/zinc/62/49/22/565624922.db2.gz FHUZECTXHHXKEU-GUYCJALGSA-N 0 1 377.282 3.341 20 0 GGADMN COc1cccc(O[C@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174256290 565625024 /nfs/dbraw/zinc/62/50/24/565625024.db2.gz OUFHJNQCBDLCGW-PXAZEXFGSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)Oc1ccccc1F ZINC000174262998 565625705 /nfs/dbraw/zinc/62/57/05/565625705.db2.gz WLVOFPUYICFDTC-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCN2CCCC[C@H]2C1 ZINC000409586816 565625781 /nfs/dbraw/zinc/62/57/81/565625781.db2.gz WYFGABZHTVJDJO-QRFRQXIXSA-N 0 1 389.337 3.350 20 0 GGADMN COc1ccc(O[C@@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174268479 565626389 /nfs/dbraw/zinc/62/63/89/565626389.db2.gz PGAAFMIJEZUZDB-SJCJKPOMSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1ccccc1F ZINC000174262980 565626407 /nfs/dbraw/zinc/62/64/07/565626407.db2.gz WLVOFPUYICFDTC-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689009 565627193 /nfs/dbraw/zinc/62/71/93/565627193.db2.gz GANMEUTUJCEIMV-HIFRSBDPSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689009 565627198 /nfs/dbraw/zinc/62/71/98/565627198.db2.gz GANMEUTUJCEIMV-HIFRSBDPSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000279690700 565627736 /nfs/dbraw/zinc/62/77/36/565627736.db2.gz PTNZNRWSIJUXLC-ONGXEEELSA-N 0 1 377.242 3.178 20 0 GGADMN O=C(CNCc1cnc2ccc(Br)cn12)N1CCCc2ccccc21 ZINC000174313430 565628029 /nfs/dbraw/zinc/62/80/29/565628029.db2.gz MYIIMRABPNJTAR-UHFFFAOYSA-N 0 1 399.292 3.166 20 0 GGADMN CCO[C@@H]1C[C@H](N[C@H](C(N)=O)c2ccc(Br)cc2)C12CCCC2 ZINC000174323093 565629353 /nfs/dbraw/zinc/62/93/53/565629353.db2.gz MCKZVTLOZVXJID-XHSDSOJGSA-N 0 1 381.314 3.303 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)cc1F ZINC000174326957 565630058 /nfs/dbraw/zinc/63/00/58/565630058.db2.gz ZTVIZXMNSBIWRE-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN C[C@H](c1cnn(C)c1)N(C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191781617 565631186 /nfs/dbraw/zinc/63/11/86/565631186.db2.gz LTQWRFNNRDPWMU-CQSZACIVSA-N 0 1 393.329 3.212 20 0 GGADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3cc(Br)c(F)cc3C)cc12 ZINC000191783912 565631825 /nfs/dbraw/zinc/63/18/25/565631825.db2.gz XPDAJGUJUHVBMF-UHFFFAOYSA-N 0 1 399.245 3.277 20 0 GGADMN COc1nc(NC[C@@H](c2ccco2)N2CCCCC2)ncc1Br ZINC000409680837 565632540 /nfs/dbraw/zinc/63/25/40/565632540.db2.gz XRHJASKGPBCQPY-ZDUSSCGKSA-N 0 1 381.274 3.480 20 0 GGADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)nc3C)ccc21 ZINC000327761205 565633038 /nfs/dbraw/zinc/63/30/38/565633038.db2.gz NWXOKAPTEJMIGR-UHFFFAOYSA-N 0 1 379.869 3.143 20 0 GGADMN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCN(C2CCC2)CC1 ZINC000409702554 565634409 /nfs/dbraw/zinc/63/44/09/565634409.db2.gz BHPJSQMZFKJYBY-QUCCMNQESA-N 0 1 389.337 3.350 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(Br)ccc2OC(F)F)CCC1 ZINC000279841175 565636131 /nfs/dbraw/zinc/63/61/31/565636131.db2.gz QZPQEBGTYCSAIQ-UHFFFAOYSA-N 0 1 398.269 3.107 20 0 GGADMN COCCN(C)c1ccc(CN[C@H](C)c2ccc(Br)cn2)cn1 ZINC000279839168 565636175 /nfs/dbraw/zinc/63/61/75/565636175.db2.gz QXSLOCXGGIJJMD-CYBMUJFWSA-N 0 1 379.302 3.173 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(Oc3cc(C)ccn3)CC2)c1Br ZINC000279840290 565636570 /nfs/dbraw/zinc/63/65/70/565636570.db2.gz WDSAFBGRJFIBDV-UHFFFAOYSA-N 0 1 393.285 3.122 20 0 GGADMN O=C(Cc1ccc(F)c(Br)c1)NCc1nc2ccc(F)cc2[nH]1 ZINC000174460217 565638112 /nfs/dbraw/zinc/63/81/12/565638112.db2.gz YJDCDCWLWYSRJD-UHFFFAOYSA-N 0 1 380.192 3.463 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccccc1I ZINC000174459161 565638130 /nfs/dbraw/zinc/63/81/30/565638130.db2.gz ROWOQYTZACGDJV-UHFFFAOYSA-N 0 1 395.175 3.237 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)C[C@@H]2CCCCO2)c2cccs2)CC1 ZINC000328692816 565638547 /nfs/dbraw/zinc/63/85/47/565638547.db2.gz FMEHLRHMGDXDFZ-DLBZAZTESA-N 0 1 386.583 3.010 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2)n1 ZINC000328673050 565638558 /nfs/dbraw/zinc/63/85/58/565638558.db2.gz OUKQWUDOVVCNLV-UKRRQHHQSA-N 0 1 377.535 3.022 20 0 GGADMN O=C(NCc1cc(Cl)sc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000409765200 565638715 /nfs/dbraw/zinc/63/87/15/565638715.db2.gz RLWNTDUUBNLFKQ-LBPRGKRZSA-N 0 1 392.352 3.309 20 0 GGADMN C[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1nnc[nH]1 ZINC000174529545 565640503 /nfs/dbraw/zinc/64/05/03/565640503.db2.gz LOZAKXMOEGWWDF-SNVBAGLBSA-N 0 1 388.225 3.246 20 0 GGADMN O=S1(=O)CCC(O)(CN2CCCCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000328747378 565640589 /nfs/dbraw/zinc/64/05/89/565640589.db2.gz AVWCAFVTUOMIQD-QGZVFWFLSA-N 0 1 385.957 3.067 20 0 GGADMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000328746105 565641017 /nfs/dbraw/zinc/64/10/17/565641017.db2.gz AJRXYZGLFBIIIE-LRDDRELGSA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000328746105 565641023 /nfs/dbraw/zinc/64/10/23/565641023.db2.gz AJRXYZGLFBIIIE-LRDDRELGSA-N 0 1 375.270 3.036 20 0 GGADMN Cc1nnc(SCC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000174537413 565641632 /nfs/dbraw/zinc/64/16/32/565641632.db2.gz FHFRZOFSFBALHI-CYBMUJFWSA-N 0 1 387.292 3.112 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000174537413 565641638 /nfs/dbraw/zinc/64/16/38/565641638.db2.gz FHFRZOFSFBALHI-CYBMUJFWSA-N 0 1 387.292 3.112 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@H]2COCC[C@@H]21 ZINC000328803168 565642475 /nfs/dbraw/zinc/64/24/75/565642475.db2.gz GZBFMPOIBWNXCD-GUYCJALGSA-N 0 1 390.281 3.480 20 0 GGADMN Cc1nnc(SCC(=O)NC(C)(C)Cc2ccc(Br)cc2)[nH]1 ZINC000174547525 565643142 /nfs/dbraw/zinc/64/31/42/565643142.db2.gz ZAHRPWKTYMZQJD-UHFFFAOYSA-N 0 1 383.315 3.105 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC(C)(C)Cc2ccc(Br)cc2)n1 ZINC000174547525 565643147 /nfs/dbraw/zinc/64/31/47/565643147.db2.gz ZAHRPWKTYMZQJD-UHFFFAOYSA-N 0 1 383.315 3.105 20 0 GGADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409875646 565645372 /nfs/dbraw/zinc/64/53/72/565645372.db2.gz SCODVICXSFCHGJ-JBYDNAENSA-N 0 1 377.326 3.204 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@H]2COCC[C@H]21 ZINC000328876424 565646310 /nfs/dbraw/zinc/64/63/10/565646310.db2.gz SNJXOMRZKDTZGH-UONOGXRCSA-N 0 1 390.281 3.480 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccnc2Br)[nH]1 ZINC000191964660 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CC(C)[N@H+]1CCCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000330041887 565690018 /nfs/dbraw/zinc/69/00/18/565690018.db2.gz GKIRICPYTVUJLK-UHFFFAOYSA-N 0 1 382.295 3.130 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)CC(=O)Nc2ccccc2C)s1 ZINC000280721685 565690092 /nfs/dbraw/zinc/69/00/92/565690092.db2.gz YBZDVPDJXNGAGA-CQSZACIVSA-N 0 1 380.535 3.357 20 0 GGADMN C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1nnc[nH]1 ZINC000280711942 565690270 /nfs/dbraw/zinc/69/02/70/565690270.db2.gz MLCIBVDGCBLMHK-LSJOCFKGSA-N 0 1 382.237 3.013 20 0 GGADMN CCc1nc(C)c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)s1 ZINC000330040428 565690259 /nfs/dbraw/zinc/69/02/59/565690259.db2.gz FTJFZPJWFCFCDR-UHFFFAOYSA-N 0 1 379.507 3.114 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCSC2(CCCCC2)C1 ZINC000175281620 565690511 /nfs/dbraw/zinc/69/05/11/565690511.db2.gz ZFIIKRGDDDHETD-UHFFFAOYSA-N 0 1 375.519 3.104 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ncncc2Cl)CC1 ZINC000175296257 565691221 /nfs/dbraw/zinc/69/12/21/565691221.db2.gz 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CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000192616200 565701764 /nfs/dbraw/zinc/70/17/64/565701764.db2.gz JIISQTPAZJOCKC-ZDUSSCGKSA-N 0 1 377.286 3.332 20 0 GGADMN CC[C@H](Cc1cccc(Br)c1)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000192616216 565701845 /nfs/dbraw/zinc/70/18/45/565701845.db2.gz JIISQTPAZJOCKC-CYBMUJFWSA-N 0 1 377.286 3.332 20 0 GGADMN Cn1cc([C@H]2CCCCN2C(=O)c2[nH]nc3ccc(Br)cc32)cn1 ZINC000330328847 565701989 /nfs/dbraw/zinc/70/19/89/565701989.db2.gz MAOHOPKAJJQXSD-OAHLLOKOSA-N 0 1 388.269 3.426 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(I)cc1)c1cccnc1 ZINC000192609186 565701925 /nfs/dbraw/zinc/70/19/25/565701925.db2.gz DCUDRMHEHHAELC-NEPJUHHUSA-N 0 1 395.244 3.364 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000192608049 565702018 /nfs/dbraw/zinc/70/20/18/565702018.db2.gz PCUCTNUDCPIHHV-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN CCn1cc(Br)cc1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000192684379 565704935 /nfs/dbraw/zinc/70/49/35/565704935.db2.gz 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ZINC000411942691 565761585 /nfs/dbraw/zinc/76/15/85/565761585.db2.gz QANMNXSVBFQOCK-ZDUSSCGKSA-N 0 1 378.270 3.014 20 0 GGADMN COC[C@@H]1C[C@H](O)CN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000411919117 565761986 /nfs/dbraw/zinc/76/19/86/565761986.db2.gz GLPDFULUQHIOAM-GJZGRUSLSA-N 0 1 377.897 3.298 20 0 GGADMN COC(=O)[C@@H]1CN(C)CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000411915956 565762551 /nfs/dbraw/zinc/76/25/51/565762551.db2.gz MEYLVGJWQKIOTD-CYBMUJFWSA-N 0 1 379.913 3.000 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000331505726 565763201 /nfs/dbraw/zinc/76/32/01/565763201.db2.gz AUWDBQPQMOOJGZ-OJLVUWQFSA-N 0 1 396.329 3.044 20 0 GGADMN CC(C)(C)c1nc(CN2CCO[C@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000331505720 565763360 /nfs/dbraw/zinc/76/33/60/565763360.db2.gz CFZKPDCXZBXPBC-AWEZNQCLSA-N 0 1 379.302 3.438 20 0 GGADMN Cc1cc([C@@H](C)NCCC(=O)Nc2cc(Br)ccc2C)nn1C ZINC000282082979 565763588 /nfs/dbraw/zinc/76/35/88/565763588.db2.gz HTJRHBBHIPQGIA-CYBMUJFWSA-N 0 1 379.302 3.479 20 0 GGADMN NC(=O)[C@]1(c2ccccc2)CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000411970778 565763904 /nfs/dbraw/zinc/76/39/04/565763904.db2.gz SAOUYEXEGCPKQG-GOSISDBHSA-N 0 1 377.257 3.217 20 0 GGADMN Cc1cc([C@H](C)NCCC(=O)Nc2cc(Br)ccc2C)nn1C ZINC000282082983 565764110 /nfs/dbraw/zinc/76/41/10/565764110.db2.gz HTJRHBBHIPQGIA-ZDUSSCGKSA-N 0 1 379.302 3.479 20 0 GGADMN O=C(CSc1n[n-]c(=S)s1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000176318085 565764132 /nfs/dbraw/zinc/76/41/32/565764132.db2.gz RYIKGSAHEYGLQQ-ZDUSSCGKSA-N 0 1 380.564 3.074 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000176310923 565764720 /nfs/dbraw/zinc/76/47/20/565764720.db2.gz OGUOWZHSCICZFE-OLZOCXBDSA-N 0 1 386.612 3.406 20 0 GGADMN NC(=O)[C@@H]1CN(Cc2cc(F)cc(Br)c2)C[C@H]1c1ccccc1 ZINC000411977421 565765330 /nfs/dbraw/zinc/76/53/30/565765330.db2.gz KEGAMFSDIXLEGM-DLBZAZTESA-N 0 1 377.257 3.289 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000176330510 565765919 /nfs/dbraw/zinc/76/59/19/565765919.db2.gz JPEWSAOFLHCXRT-NSHDSACASA-N 0 1 384.527 3.217 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2C)CCN1C[C@@H](C)O ZINC000176345863 565766069 /nfs/dbraw/zinc/76/60/69/565766069.db2.gz SLYOSJADRWCFMW-UKRRQHHQSA-N 0 1 384.318 3.066 20 0 GGADMN O=C(CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000412034622 565766257 /nfs/dbraw/zinc/76/62/57/565766257.db2.gz DGQXOUANNJNNCX-DMDPSCGWSA-N 0 1 376.806 3.390 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000176352125 565766937 /nfs/dbraw/zinc/76/69/37/565766937.db2.gz WQQAXNNTNJAHPJ-SECBINFHSA-N 0 1 396.346 3.449 20 0 GGADMN CC(C)c1nc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000331556159 565767015 /nfs/dbraw/zinc/76/70/15/565767015.db2.gz IXJXVIIFZNEBDN-AWEZNQCLSA-N 0 1 383.265 3.403 20 0 GGADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3ccccc3Br)[C@@H]2C1 ZINC000331552667 565767159 /nfs/dbraw/zinc/76/71/59/565767159.db2.gz HZBYGLLTJYXSFO-XYPHTWIQSA-N 0 1 397.313 3.046 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000176355482 565767268 /nfs/dbraw/zinc/76/72/68/565767268.db2.gz AANNUCITHAUJFJ-CQSZACIVSA-N 0 1 399.538 3.404 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ncccc2Br)CC1 ZINC000193646784 565767444 /nfs/dbraw/zinc/76/74/44/565767444.db2.gz OKJTVOKWNZMGPC-CYBMUJFWSA-N 0 1 389.297 3.195 20 0 GGADMN COc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1Br ZINC000412052691 565768269 /nfs/dbraw/zinc/76/82/69/565768269.db2.gz DFWMKWKTGLKVPX-OAHLLOKOSA-N 0 1 381.314 3.435 20 0 GGADMN O=C1CCCN1[C@@H]1CCCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000412058052 565768617 /nfs/dbraw/zinc/76/86/17/565768617.db2.gz SWZVGAYDDBXLKK-CQSZACIVSA-N 0 1 395.297 3.155 20 0 GGADMN CC(C)(C)c1nc(CN2CCO[C@@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000331587414 565769186 /nfs/dbraw/zinc/76/91/86/565769186.db2.gz MQIGNSFDQWOAMY-CQSZACIVSA-N 0 1 379.302 3.438 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000282233632 565771080 /nfs/dbraw/zinc/77/10/80/565771080.db2.gz RGJQDJSJSUVAEL-CHWSQXEVSA-N 0 1 397.547 3.240 20 0 GGADMN CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)C(C)(C)CN1CCOCC1 ZINC000412097499 565771673 /nfs/dbraw/zinc/77/16/73/565771673.db2.gz VTRHOIVWRVOINO-XMMPIXPASA-N 0 1 393.380 3.144 20 0 GGADMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1Br ZINC000331620894 565772400 /nfs/dbraw/zinc/77/24/00/565772400.db2.gz QCWKJGMNPQHCLR-BXUZGUMPSA-N 0 1 378.270 3.337 20 0 GGADMN CCCN1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2O)CC1=O ZINC000412175590 565773297 /nfs/dbraw/zinc/77/32/97/565773297.db2.gz ZPALSTQOZNIINR-QMMMGPOBSA-N 0 1 375.650 3.005 20 0 GGADMN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cc(Br)cc2nc[nH]c21 ZINC000282310223 565773398 /nfs/dbraw/zinc/77/33/98/565773398.db2.gz TVYYFRRTORSTMI-SECBINFHSA-N 0 1 390.241 3.195 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccoc2Br)CC1 ZINC000193745670 565773630 /nfs/dbraw/zinc/77/36/30/565773630.db2.gz WKCZDSLVTKBPIS-GFCCVEGCSA-N 0 1 378.270 3.393 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3Cl)cn2)CC1 ZINC000193745483 565773672 /nfs/dbraw/zinc/77/36/72/565773672.db2.gz YWDGXAUVRCFWHF-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CCOC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000193780444 565774250 /nfs/dbraw/zinc/77/42/50/565774250.db2.gz OAERHXCJQSPQJA-CQSZACIVSA-N 0 1 383.330 3.297 20 0 GGADMN CCCN1C[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC1=O ZINC000412218534 565774563 /nfs/dbraw/zinc/77/45/63/565774563.db2.gz MWTNOOVTXZMELJ-MRVPVSSYSA-N 0 1 375.650 3.005 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)c1Br ZINC000331653124 565774987 /nfs/dbraw/zinc/77/49/87/565774987.db2.gz VWRXVDVILSBYCA-AWEZNQCLSA-N 0 1 396.260 3.396 20 0 GGADMN O=S(=O)(NCc1ccn(C2CCCC2)n1)c1c(Cl)ccc(F)c1F ZINC000331649717 565775111 /nfs/dbraw/zinc/77/51/11/565775111.db2.gz YYXGGZDIGSNCBL-UHFFFAOYSA-N 0 1 375.828 3.408 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC1(c2cccc(F)c2)CCOCC1 ZINC000176479418 565776668 /nfs/dbraw/zinc/77/66/68/565776668.db2.gz WZGIAMWOJNOTJD-UHFFFAOYSA-N 0 1 385.511 3.254 20 0 GGADMN Cc1cc([C@H]2CCCN(S(=O)(=O)Cc3ccc(Br)cc3)C2)n[nH]1 ZINC000282418838 565777679 /nfs/dbraw/zinc/77/76/79/565777679.db2.gz DMVXALHYWLZHDU-AWEZNQCLSA-N 0 1 398.326 3.190 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000331707406 565777944 /nfs/dbraw/zinc/77/79/44/565777944.db2.gz DIGDNJQPSUPABJ-IAGOWNOFSA-N 0 1 379.302 3.019 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000331707404 565777976 /nfs/dbraw/zinc/77/79/76/565777976.db2.gz DIGDNJQPSUPABJ-DLBZAZTESA-N 0 1 379.302 3.019 20 0 GGADMN Cc1cc([C@H](C)NCCC(=O)N(C)Cc2ccccc2Br)nn1C ZINC000282411560 565778119 /nfs/dbraw/zinc/77/81/19/565778119.db2.gz YGFFWSRXFPEAQM-AWEZNQCLSA-N 0 1 393.329 3.190 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1Br ZINC000331723760 565780097 /nfs/dbraw/zinc/78/00/97/565780097.db2.gz LFVPHSCHGZBKDH-ZDUSSCGKSA-N 0 1 377.286 3.451 20 0 GGADMN O=C(c1cc(Br)c(F)cc1[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412310003 565780380 /nfs/dbraw/zinc/78/03/80/565780380.db2.gz CTGTWLVKGQKPKM-UHFFFAOYSA-N 0 1 385.277 3.242 20 0 GGADMN Cc1n[nH]c(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c1C ZINC000331723842 565780509 /nfs/dbraw/zinc/78/05/09/565780509.db2.gz KXDKGEIALZAYJE-CYBMUJFWSA-N 0 1 377.286 3.045 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176535330 565782664 /nfs/dbraw/zinc/78/26/64/565782664.db2.gz ABFWBBLGIYMWBI-CQSZACIVSA-N 0 1 384.351 3.167 20 0 GGADMN Cc1cc(CNC(=O)[C@H]2CCCc3[nH]ncc32)ccc1I ZINC000331789980 565783993 /nfs/dbraw/zinc/78/39/93/565783993.db2.gz NQGOTUUBLUXAHZ-LBPRGKRZSA-N 0 1 395.244 3.059 20 0 GGADMN Cc1ccc(N2CCC[C@@H](NCc3cc(O)ccc3Br)C2)nn1 ZINC000331781766 565783722 /nfs/dbraw/zinc/78/37/22/565783722.db2.gz ARVRBFFNGVVPHC-CQSZACIVSA-N 0 1 377.286 3.012 20 0 GGADMN Cc1cc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1I ZINC000331789976 565783954 /nfs/dbraw/zinc/78/39/54/565783954.db2.gz NQGOTUUBLUXAHZ-GFCCVEGCSA-N 0 1 395.244 3.059 20 0 GGADMN Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1I ZINC000331801139 565784956 /nfs/dbraw/zinc/78/49/56/565784956.db2.gz JPGMTDDJRTWOTF-ZDUSSCGKSA-N 0 1 381.217 3.130 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCCC1)c1nc2cccnc2s1 ZINC000193939316 565785301 /nfs/dbraw/zinc/78/53/01/565785301.db2.gz IRBLYJINYPVBBJ-UHFFFAOYSA-N 0 1 376.551 3.173 20 0 GGADMN Cc1nn(C)cc1CNCc1ccc(I)c(Cl)c1 ZINC000282575502 565785757 /nfs/dbraw/zinc/78/57/57/565785757.db2.gz FRXPRCCTAAUICK-UHFFFAOYSA-N 0 1 375.641 3.276 20 0 GGADMN COc1cnc(NC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)s1 ZINC000331817707 565786130 /nfs/dbraw/zinc/78/61/30/565786130.db2.gz VEDTYQVQJYFVGG-MRVPVSSYSA-N 0 1 375.376 3.305 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cc(Br)ccc2C)n[nH]1 ZINC000331861850 565788271 /nfs/dbraw/zinc/78/82/71/565788271.db2.gz FPBWQKDSYLLXNK-CQSZACIVSA-N 0 1 393.285 3.389 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cc(Cl)ccc2Br)C1 ZINC000331887550 565790928 /nfs/dbraw/zinc/79/09/28/565790928.db2.gz XENQQKGIXUBBTI-OCCSQVGLSA-N 0 1 385.693 3.491 20 0 GGADMN Cn1ncc2c1C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1O)CC2 ZINC000282657323 565791000 /nfs/dbraw/zinc/79/10/00/565791000.db2.gz HVZNVMRWVXRBPI-QMMMGPOBSA-N 0 1 384.661 3.285 20 0 GGADMN CN(CC(=O)NCc1cccc(Br)c1Cl)[C@@H]1CCSC1 ZINC000412482450 565791463 /nfs/dbraw/zinc/79/14/63/565791463.db2.gz AHVSTZDQNYNCTM-LLVKDONJSA-N 0 1 377.735 3.156 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ncccc2Br)n[nH]1 ZINC000331898171 565791531 /nfs/dbraw/zinc/79/15/31/565791531.db2.gz LBNFRSVXTVJEJD-GFCCVEGCSA-N 0 1 378.274 3.453 20 0 GGADMN C[C@@H](CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)N1CCN(C)CC1 ZINC000176671216 565792695 /nfs/dbraw/zinc/79/26/95/565792695.db2.gz QIKIHOZUFAEBMI-AWEZNQCLSA-N 0 1 384.351 3.167 20 0 GGADMN C[C@@H](CC(=O)Nc1ccccc1)NCC(=O)Nc1ccc(Br)cc1 ZINC000194061794 565792762 /nfs/dbraw/zinc/79/27/62/565792762.db2.gz ZHYIYJVOROIPRZ-ZDUSSCGKSA-N 0 1 390.281 3.395 20 0 GGADMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000176684568 565794249 /nfs/dbraw/zinc/79/42/49/565794249.db2.gz MGMHHIPMKRGMLB-UHFFFAOYSA-N 0 1 396.266 3.443 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000282754329 565794604 /nfs/dbraw/zinc/79/46/04/565794604.db2.gz AZEWDMBHPBMJGU-CQSZACIVSA-N 0 1 383.311 3.036 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Br)cs1 ZINC000194107486 565794825 /nfs/dbraw/zinc/79/48/25/565794825.db2.gz OWXHPCVRGKVQFR-PWSUYJOCSA-N 0 1 383.315 3.090 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(N)c2Cl)n[nH]1 ZINC000331939344 565795231 /nfs/dbraw/zinc/79/52/31/565795231.db2.gz RADFRDNPCQPLFG-LLVKDONJSA-N 0 1 384.267 3.208 20 0 GGADMN CCOc1ccc(-c2nc(C[S@](=O)Cc3n[nH]c(CC)n3)cs2)cc1 ZINC000194124561 565795750 /nfs/dbraw/zinc/79/57/50/565795750.db2.gz RKZINMSSXQZGOK-VWLOTQADSA-N 0 1 376.507 3.338 20 0 GGADMN Cc1ccc2nc(CNC(=O)C3(c4cncc(Br)c4)CC3)[nH]c2c1 ZINC000282774668 565796397 /nfs/dbraw/zinc/79/63/97/565796397.db2.gz XTLRVAFXMYZVLD-UHFFFAOYSA-N 0 1 385.265 3.377 20 0 GGADMN C[C@H](C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)N1CCCCCC1 ZINC000331985376 565796880 /nfs/dbraw/zinc/79/68/80/565796880.db2.gz LQZKIZANRJWQQV-IUODEOHRSA-N 0 1 382.302 3.406 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(Cl)ccc1I ZINC000176721622 565796979 /nfs/dbraw/zinc/79/69/79/565796979.db2.gz LRRMYSAJXKBBSD-UHFFFAOYSA-N 0 1 398.591 3.468 20 0 GGADMN CCOc1cc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc(Br)c1O ZINC000331975665 565797347 /nfs/dbraw/zinc/79/73/47/565797347.db2.gz XGXHTRNJMOQIEB-ZFWWWQNUSA-N 0 1 397.313 3.044 20 0 GGADMN C[C@@H](C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)N1CCCCCC1 ZINC000331985379 565797525 /nfs/dbraw/zinc/79/75/25/565797525.db2.gz LQZKIZANRJWQQV-SWLSCSKDSA-N 0 1 382.302 3.406 20 0 GGADMN CCOc1cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc(Br)c1O ZINC000331975659 565797647 /nfs/dbraw/zinc/79/76/47/565797647.db2.gz XGXHTRNJMOQIEB-HIFRSBDPSA-N 0 1 397.313 3.044 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1 ZINC000332000670 565798534 /nfs/dbraw/zinc/79/85/34/565798534.db2.gz ZRGQGYANPPIMLU-UHFFFAOYSA-N 0 1 379.429 3.367 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000176721842 565798690 /nfs/dbraw/zinc/79/86/90/565798690.db2.gz MDZNROLDWAYDHW-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN CCc1nc(C[S@@](=O)Cc2cc(Br)ccc2OC(F)F)n[nH]1 ZINC000194183391 565799191 /nfs/dbraw/zinc/79/91/91/565799191.db2.gz ZIVYEFSMLZDDHN-QFIPXVFZSA-N 0 1 394.241 3.180 20 0 GGADMN CCOc1c(Cl)cc(NC(=O)N2CCOC[C@H]2c2nnc[nH]2)cc1Cl ZINC000332007992 565799325 /nfs/dbraw/zinc/79/93/25/565799325.db2.gz CVIWYLVWDBPJHL-LBPRGKRZSA-N 0 1 386.239 3.116 20 0 GGADMN C[C@H](NC(=O)c1csc(-c2cc(Br)cs2)n1)c1nnc[nH]1 ZINC000176743114 565799314 /nfs/dbraw/zinc/79/93/14/565799314.db2.gz IKDLDMUEYMIPHD-LURJTMIESA-N 0 1 384.284 3.243 20 0 GGADMN C[C@H](O)c1ncc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000282832091 565799463 /nfs/dbraw/zinc/79/94/63/565799463.db2.gz AJLVTUSJMALZKI-LBPRGKRZSA-N 0 1 379.913 3.244 20 0 GGADMN O=C1CC[C@H](NCc2ncc(-c3cccc(Br)c3)o2)C2(CCC2)N1 ZINC000282830772 565799799 /nfs/dbraw/zinc/79/97/99/565799799.db2.gz QTESVGRRLVAGCV-HNNXBMFYSA-N 0 1 390.281 3.395 20 0 GGADMN C[C@@H](O)c1ncc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000282832087 565799819 /nfs/dbraw/zinc/79/98/19/565799819.db2.gz AJLVTUSJMALZKI-GFCCVEGCSA-N 0 1 379.913 3.244 20 0 GGADMN C[C@@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nnc[nH]1 ZINC000176734210 565799933 /nfs/dbraw/zinc/79/99/33/565799933.db2.gz IGZOQDDVJORWRP-SSDOTTSWSA-N 0 1 398.311 3.172 20 0 GGADMN CN(CC(=O)NCc1cc(Cl)cc(Br)c1)[C@@H]1CCSC1 ZINC000412617329 565800696 /nfs/dbraw/zinc/80/06/96/565800696.db2.gz AQQWMPIAHHVIBY-CYBMUJFWSA-N 0 1 377.735 3.156 20 0 GGADMN CN(CC(=O)NCc1cc(Cl)cc(Br)c1)[C@H]1CCSC1 ZINC000412617331 565800904 /nfs/dbraw/zinc/80/09/04/565800904.db2.gz AQQWMPIAHHVIBY-ZDUSSCGKSA-N 0 1 377.735 3.156 20 0 GGADMN Cc1ccc(I)cc1NC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000332045308 565801460 /nfs/dbraw/zinc/80/14/60/565801460.db2.gz VQYBVVSYNXQPFF-JTQLQIEISA-N 0 1 397.216 3.079 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl)c1cccs1 ZINC000176771616 565801759 /nfs/dbraw/zinc/80/17/59/565801759.db2.gz BLHFQOPASWQZAZ-ZDUSSCGKSA-N 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CCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)c1Br ZINC000332177142 565812865 /nfs/dbraw/zinc/81/28/65/565812865.db2.gz ZVSJMPHHLYPZQV-LBPRGKRZSA-N 0 1 378.270 3.373 20 0 GGADMN O=C(CCc1cc(Br)ccc1F)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332172186 565813185 /nfs/dbraw/zinc/81/31/85/565813185.db2.gz LWKSYJABFQCYAM-NSHDSACASA-N 0 1 398.232 3.016 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[nH]1 ZINC000194419777 565813476 /nfs/dbraw/zinc/81/34/76/565813476.db2.gz ZUJFNSPHSAAWGH-UHFFFAOYSA-N 0 1 382.314 3.464 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)n1 ZINC000194419777 565813480 /nfs/dbraw/zinc/81/34/80/565813480.db2.gz ZUJFNSPHSAAWGH-UHFFFAOYSA-N 0 1 382.314 3.464 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2ccc(F)cc2I)c1 ZINC000176918929 565813660 /nfs/dbraw/zinc/81/36/60/565813660.db2.gz NAPNGOKGYOPXHR-UHFFFAOYSA-N 0 1 399.207 3.139 20 0 GGADMN O=S(=O)(Cc1n[nH]c(C2CC2)n1)Cc1cc(Br)ccc1Cl ZINC000194431459 565814894 /nfs/dbraw/zinc/81/48/94/565814894.db2.gz 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O=S(=O)(Cc1ccc(Br)cc1)Nc1cc(-c2cccnc2)[nH]n1 ZINC000194610527 565826463 /nfs/dbraw/zinc/82/64/63/565826463.db2.gz OIMLXYNKLKPVBS-UHFFFAOYSA-N 0 1 393.266 3.176 20 0 GGADMN CN(C)C(=O)c1ccnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000194623825 565826974 /nfs/dbraw/zinc/82/69/74/565826974.db2.gz FKVSYQHAJQFGPD-UHFFFAOYSA-N 0 1 388.276 3.032 20 0 GGADMN Cc1nc([C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)n[nH]1 ZINC000412982778 565827111 /nfs/dbraw/zinc/82/71/11/565827111.db2.gz ZWJMSPIMGIAGCW-PWSUYJOCSA-N 0 1 376.511 3.465 20 0 GGADMN CCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)c1n[nH]c(C)n1 ZINC000412985153 565828218 /nfs/dbraw/zinc/82/82/18/565828218.db2.gz SEQOEOAORVVYBK-QMMMGPOBSA-N 0 1 394.298 3.459 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000194663310 565828782 /nfs/dbraw/zinc/82/87/82/565828782.db2.gz JUFFLTSBIHYJJZ-UHFFFAOYSA-N 0 1 379.913 3.034 20 0 GGADMN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCN(CC2CC2)CC1 ZINC000194646555 565829021 /nfs/dbraw/zinc/82/90/21/565829021.db2.gz QUYOSVDYFOTOGB-UHFFFAOYSA-N 0 1 380.261 3.237 20 0 GGADMN O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332324370 565829088 /nfs/dbraw/zinc/82/90/88/565829088.db2.gz LXEZGOYBCJWQDU-QMMMGPOBSA-N 0 1 375.734 3.467 20 0 GGADMN O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332329354 565830355 /nfs/dbraw/zinc/83/03/55/565830355.db2.gz MVPHFJOXSHLJJD-QMMMGPOBSA-N 0 1 375.734 3.467 20 0 GGADMN Cc1c(Br)ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1F ZINC000332346412 565831252 /nfs/dbraw/zinc/83/12/52/565831252.db2.gz RTHXRULRESTTAS-SECBINFHSA-N 0 1 384.205 3.005 20 0 GGADMN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000177151602 565832114 /nfs/dbraw/zinc/83/21/14/565832114.db2.gz PVFGNBLOJNKWPF-QMMMGPOBSA-N 0 1 387.292 3.136 20 0 GGADMN CC(=O)N(c1nc(CN(C)Cc2nnc[nH]2)cs1)c1ccc(Cl)cc1 ZINC000177146160 565832165 /nfs/dbraw/zinc/83/21/65/565832165.db2.gz LCZPMTVWMGBMAT-UHFFFAOYSA-N 0 1 376.873 3.231 20 0 GGADMN COc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cc1Cl ZINC000332380637 565833376 /nfs/dbraw/zinc/83/33/76/565833376.db2.gz YPNMOKUFCYEUIJ-ZDUSSCGKSA-N 0 1 383.901 3.257 20 0 GGADMN Cc1ncsc1CCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000413111172 565834159 /nfs/dbraw/zinc/83/41/59/565834159.db2.gz VTSKIMNAZBYDRG-UHFFFAOYSA-N 0 1 378.929 3.428 20 0 GGADMN CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332401441 565834366 /nfs/dbraw/zinc/83/43/66/565834366.db2.gz NKIACBNQWSEIKY-NSHDSACASA-N 0 1 394.269 3.222 20 0 GGADMN CC(C)N1CC[C@H](Sc2nc(-c3ccccc3Br)n[nH]2)C1=O ZINC000177193999 565834347 /nfs/dbraw/zinc/83/43/47/565834347.db2.gz QVSXADGBQMYUFY-LBPRGKRZSA-N 0 1 381.299 3.336 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)COc1ccc(Br)cc1Cl ZINC000194756852 565835034 /nfs/dbraw/zinc/83/50/34/565835034.db2.gz AFUNJHIVXDEFTF-UHFFFAOYSA-N 0 1 386.677 3.262 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1Br ZINC000332435496 565837015 /nfs/dbraw/zinc/83/70/15/565837015.db2.gz JXTHDTZPFXIHLX-UHFFFAOYSA-N 0 1 378.270 3.460 20 0 GGADMN Cc1c(Br)ccc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c1F ZINC000332426190 565837258 /nfs/dbraw/zinc/83/72/58/565837258.db2.gz BYLFYNICRCSFCV-UHFFFAOYSA-N 0 1 384.205 3.005 20 0 GGADMN COc1ccc(CN(C)C[C@@H](O)COc2ccc(Br)cc2)cc1O ZINC000177227023 565837629 /nfs/dbraw/zinc/83/76/29/565837629.db2.gz TYURLVBUENSSPB-OAHLLOKOSA-N 0 1 396.281 3.035 20 0 GGADMN O=S(=O)(CCN[C@@H](c1cncc(Br)c1)C1CC1)c1ccccc1 ZINC000283950416 565837815 /nfs/dbraw/zinc/83/78/15/565837815.db2.gz ANWVKUSBZKGXMQ-QGZVFWFLSA-N 0 1 395.322 3.359 20 0 GGADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000177258692 565838298 /nfs/dbraw/zinc/83/82/98/565838298.db2.gz YFDAZKVMVDCQHJ-AWEZNQCLSA-N 0 1 397.338 3.219 20 0 GGADMN CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1cccc(Br)c1 ZINC000332447943 565838310 /nfs/dbraw/zinc/83/83/10/565838310.db2.gz SQYDLXJKVUFQGY-NSHDSACASA-N 0 1 394.269 3.222 20 0 GGADMN Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c(C)cc1Br ZINC000332468724 565839332 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C[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@H](C(N)=O)C1 ZINC000332536739 565842748 /nfs/dbraw/zinc/84/27/48/565842748.db2.gz YTBCLCWXWUWNSS-XPTSAGLGSA-N 0 1 392.253 3.067 20 0 GGADMN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332524491 565842976 /nfs/dbraw/zinc/84/29/76/565842976.db2.gz RFXCSTMTQURLCT-UWVGGRQHSA-N 0 1 392.253 3.067 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332535626 565843102 /nfs/dbraw/zinc/84/31/02/565843102.db2.gz VAJANPFJDCBDCD-YPMHNXCESA-N 0 1 393.281 3.056 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCCN(C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000284133916 565843296 /nfs/dbraw/zinc/84/32/96/565843296.db2.gz OIECKZIVRPQCET-JKSUJKDBSA-N 0 1 385.957 3.428 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)OC(C)(C)C ZINC000413269583 565843271 /nfs/dbraw/zinc/84/32/71/565843271.db2.gz SJEDTNFKAHUXRL-VIFPVBQESA-N 0 1 395.257 3.151 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCCN(C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000284133913 565843654 /nfs/dbraw/zinc/84/36/54/565843654.db2.gz OIECKZIVRPQCET-HZPDHXFCSA-N 0 1 385.957 3.428 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCCN(C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000284131747 565843692 /nfs/dbraw/zinc/84/36/92/565843692.db2.gz OIECKZIVRPQCET-CVEARBPZSA-N 0 1 385.957 3.428 20 0 GGADMN CC[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1cc(F)cc(Br)c1 ZINC000332556393 565843766 /nfs/dbraw/zinc/84/37/66/565843766.db2.gz NJVOFEYELCUHQC-RNCFNFMXSA-N 0 1 381.249 3.079 20 0 GGADMN CC[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000332556393 565843769 /nfs/dbraw/zinc/84/37/69/565843769.db2.gz NJVOFEYELCUHQC-RNCFNFMXSA-N 0 1 381.249 3.079 20 0 GGADMN CC[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cc(F)cc(Br)c1 ZINC000332556395 565844154 /nfs/dbraw/zinc/84/41/54/565844154.db2.gz NJVOFEYELCUHQC-ZANVPECISA-N 0 1 381.249 3.079 20 0 GGADMN CC[C@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000332556395 565844156 /nfs/dbraw/zinc/84/41/56/565844156.db2.gz NJVOFEYELCUHQC-ZANVPECISA-N 0 1 381.249 3.079 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1C ZINC000332600212 565846176 /nfs/dbraw/zinc/84/61/76/565846176.db2.gz MKFQKSGWQOXFRF-NWDGAFQWSA-N 0 1 392.301 3.339 20 0 GGADMN CCSc1ccc(Cl)cc1C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000177412751 565849256 /nfs/dbraw/zinc/84/92/56/565849256.db2.gz SBOPPUICQVUDCJ-KRWDZBQOSA-N 0 1 383.989 3.454 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cnc(OC)c(Cl)c2)c1 ZINC000284319244 565849288 /nfs/dbraw/zinc/84/92/88/565849288.db2.gz LRUNKCZUFIGGKS-VXGBXAGGSA-N 0 1 383.901 3.064 20 0 GGADMN CCSc1ccc(Cl)cc1C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000177412766 565849374 /nfs/dbraw/zinc/84/93/74/565849374.db2.gz SBOPPUICQVUDCJ-QGZVFWFLSA-N 0 1 383.989 3.454 20 0 GGADMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000194938871 565849451 /nfs/dbraw/zinc/84/94/51/565849451.db2.gz ZXPNIKJUGXQFPT-UHFFFAOYSA-N 0 1 382.894 3.382 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)c1cn[nH]n1 ZINC000177435136 565850056 /nfs/dbraw/zinc/85/00/56/565850056.db2.gz SPVJVBHSBASHCP-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000284356630 565850167 /nfs/dbraw/zinc/85/01/67/565850167.db2.gz YXACSAUTHIZUJO-OAHLLOKOSA-N 0 1 381.263 3.005 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)C(=O)NC1CC1 ZINC000177434975 565850138 /nfs/dbraw/zinc/85/01/38/565850138.db2.gz HKZBVRLJFCJGFA-UHFFFAOYSA-N 0 1 399.248 3.210 20 0 GGADMN C[C@@H](NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1Cl ZINC000284383165 565851762 /nfs/dbraw/zinc/85/17/62/565851762.db2.gz MGBIZPCUTFFPCL-OTYXRUKQSA-N 0 1 381.263 3.088 20 0 GGADMN CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000177467285 565852791 /nfs/dbraw/zinc/85/27/91/565852791.db2.gz XMWMOULYZIBFNN-MRXNPFEDSA-N 0 1 381.973 3.304 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n[nH]1 ZINC000284428427 565853310 /nfs/dbraw/zinc/85/33/10/565853310.db2.gz JBPSBKMFSLBANA-XJKSGUPXSA-N 0 1 382.295 3.083 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)CSc2n[n-]c(=S)s2)CC[N@H+]1Cc1ccccc1 ZINC000177476325 565853664 /nfs/dbraw/zinc/85/36/64/565853664.db2.gz VDSOCXDVTRISAO-TZMCWYRMSA-N 0 1 394.591 3.462 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(Br)c(F)c1 ZINC000195032647 565854487 /nfs/dbraw/zinc/85/44/87/565854487.db2.gz HYSXWWWYYDVGCI-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCc2[nH]nnc2C1 ZINC000332723956 565854905 /nfs/dbraw/zinc/85/49/05/565854905.db2.gz XVZCSSARMVNZJF-SSDOTTSWSA-N 0 1 389.175 3.330 20 0 GGADMN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCc2nn[nH]c2C1 ZINC000332723956 565854909 /nfs/dbraw/zinc/85/49/09/565854909.db2.gz XVZCSSARMVNZJF-SSDOTTSWSA-N 0 1 389.175 3.330 20 0 GGADMN C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(Cl)s1 ZINC000177489318 565855357 /nfs/dbraw/zinc/85/53/57/565855357.db2.gz UNHAZEVGZICQIU-JTQLQIEISA-N 0 1 380.901 3.445 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1c(F)c(F)cc(F)c1F ZINC000177531951 565857165 /nfs/dbraw/zinc/85/71/65/565857165.db2.gz DMZXNCMVGKCFEV-UHFFFAOYSA-N 0 1 376.419 3.334 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(Cl)cc2Br)C1 ZINC000284531946 565857851 /nfs/dbraw/zinc/85/78/51/565857851.db2.gz GOVQVZOMVARECQ-MFKMUULPSA-N 0 1 399.676 3.131 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(F)cc1)Oc1ccccc1Br ZINC000177545522 565858708 /nfs/dbraw/zinc/85/87/08/565858708.db2.gz VDUBSXQFFQYWGZ-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000332890438 565858994 /nfs/dbraw/zinc/85/89/94/565858994.db2.gz JSLQYGXVGDGBQB-YOEHRIQHSA-N 0 1 376.913 3.420 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000332964478 565859954 /nfs/dbraw/zinc/85/99/54/565859954.db2.gz BHBIAEOQDQXGKJ-XHDPSFHLSA-N 0 1 377.286 3.480 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCCN1C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000332988067 565860121 /nfs/dbraw/zinc/86/01/21/565860121.db2.gz GDNCAANIQUJKHS-IAQYHMDHSA-N 0 1 395.297 3.024 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1cc2c(cc1Br)OCCO2 ZINC000332988064 565860231 /nfs/dbraw/zinc/86/02/31/565860231.db2.gz GDNCAANIQUJKHS-ABAIWWIYSA-N 0 1 395.297 3.024 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000332964477 565860341 /nfs/dbraw/zinc/86/03/41/565860341.db2.gz BHBIAEOQDQXGKJ-NHYWBVRUSA-N 0 1 377.286 3.480 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000333021263 565861541 /nfs/dbraw/zinc/86/15/41/565861541.db2.gz JBNTXNFPMISVOL-AWEZNQCLSA-N 0 1 385.580 3.012 20 0 GGADMN CC(C)c1nc(CNC(=O)NCc2cc(Cl)cc(Br)c2)n[nH]1 ZINC000413591502 565861906 /nfs/dbraw/zinc/86/19/06/565861906.db2.gz ZWOWCTCAYVVGJV-UHFFFAOYSA-N 0 1 386.681 3.343 20 0 GGADMN O=S(=O)(Cc1csc(-c2ccco2)n1)c1n[nH]c(Cc2cccs2)n1 ZINC000195157884 565862548 /nfs/dbraw/zinc/86/25/48/565862548.db2.gz LEZHSYQVOXTBHK-UHFFFAOYSA-N 0 1 392.487 3.147 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000284649676 565863910 /nfs/dbraw/zinc/86/39/10/565863910.db2.gz PGHPJBRDNLACJE-OCCSQVGLSA-N 0 1 381.267 3.030 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2S(=O)(=O)C[C@@H]2CCCC2(F)F)n[nH]1 ZINC000333106553 565865668 /nfs/dbraw/zinc/86/56/68/565865668.db2.gz RBQYYFVEQSEDHV-QWHCGFSZSA-N 0 1 376.473 3.220 20 0 GGADMN O=S(=O)(C[C@@H]1CCOC1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333095602 565865739 /nfs/dbraw/zinc/86/57/39/565865739.db2.gz BRGLRZFXUANSEQ-MLGOLLRUSA-N 0 1 383.901 3.110 20 0 GGADMN C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cccc(Br)c3Cl)[C@H]2C1 ZINC000413661670 565865793 /nfs/dbraw/zinc/86/57/93/565865793.db2.gz YDYJVJLHJRPYGS-FZMZJTMJSA-N 0 1 386.721 3.338 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)sc1C ZINC000333107713 565866087 /nfs/dbraw/zinc/86/60/87/565866087.db2.gz DVHQWCOZEHMQNC-DZGCQCFKSA-N 0 1 385.580 3.183 20 0 GGADMN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333131359 565867983 /nfs/dbraw/zinc/86/79/83/565867983.db2.gz HYDVAABKXBVCMS-UVBJJODRSA-N 0 1 383.901 3.251 20 0 GGADMN CCn1ccnc1[C@H](N[C@@H](C)Cn1cc(Br)cn1)C1CCOCC1 ZINC000284761731 565868901 /nfs/dbraw/zinc/86/89/01/565868901.db2.gz WMBXCSOAWBVXGJ-XJKSGUPXSA-N 0 1 396.333 3.008 20 0 GGADMN OCC1(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)COC1 ZINC000177705384 565869112 /nfs/dbraw/zinc/86/91/12/565869112.db2.gz FOBOSUJYNUGJTR-KRWDZBQOSA-N 0 1 380.257 3.276 20 0 GGADMN COCC[C@H](NCC(=O)Nc1cc(C)nn1C)c1ccc(Cl)c(Cl)c1 ZINC000284762314 565869386 /nfs/dbraw/zinc/86/93/86/565869386.db2.gz MDHVTXKHULSEOQ-HNNXBMFYSA-N 0 1 385.295 3.341 20 0 GGADMN CCN(CC)c1ncc(CNCCS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000195249558 565869442 /nfs/dbraw/zinc/86/94/42/565869442.db2.gz CAINHXIBFWLBEE-UHFFFAOYSA-N 0 1 387.958 3.206 20 0 GGADMN O=S(=O)([C@@H]1CCCOC1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333195554 565870502 /nfs/dbraw/zinc/87/05/02/565870502.db2.gz TZSQVMJOVDYHBT-CZUORRHYSA-N 0 1 383.901 3.252 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177754863 565871315 /nfs/dbraw/zinc/87/13/15/565871315.db2.gz ILJLVMBWKIDVCT-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN CC1(C)c2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)ccc2NC1=O ZINC000177760277 565871503 /nfs/dbraw/zinc/87/15/03/565871503.db2.gz VFUMPKVMSBOUJC-UHFFFAOYSA-N 0 1 377.491 3.052 20 0 GGADMN Cc1nc(C(C)C)sc1[C@@H](C)NCCS(=O)(=O)NCc1ccccc1 ZINC000177769013 565872681 /nfs/dbraw/zinc/87/26/81/565872681.db2.gz QVCDQEUZRUNPCT-CQSZACIVSA-N 0 1 381.567 3.345 20 0 GGADMN C[C@H]1C[C@H](NCCS(=O)(=O)NCc2ccccc2)c2ccsc2S1 ZINC000177769907 565873030 /nfs/dbraw/zinc/87/30/30/565873030.db2.gz ZWVXMRBLXMLKPE-BBRMVZONSA-N 0 1 382.576 3.383 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413823330 565874933 /nfs/dbraw/zinc/87/49/33/565874933.db2.gz VIZNGWCXZSCVKU-CYBMUJFWSA-N 0 1 395.297 3.080 20 0 GGADMN O=C(CCN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1cc(Cl)ccc1Cl ZINC000284888699 565874996 /nfs/dbraw/zinc/87/49/96/565874996.db2.gz SJCVKJNDFCHNHR-IAOVAPTHSA-N 0 1 387.307 3.184 20 0 GGADMN Brc1ccccc1-c1n[nH]c(SCCCN2CCOCC2)n1 ZINC000195335367 565876557 /nfs/dbraw/zinc/87/65/57/565876557.db2.gz 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COc1cc(C)c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1C ZINC000285041439 565884459 /nfs/dbraw/zinc/88/44/59/565884459.db2.gz JELUXDXANACKRU-UHFFFAOYSA-N 0 1 382.507 3.463 20 0 GGADMN Cc1nc(S(=O)(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)sc1C ZINC000333554550 565886849 /nfs/dbraw/zinc/88/68/49/565886849.db2.gz QMNLZAGQRLFVDB-JTQLQIEISA-N 0 1 394.444 3.070 20 0 GGADMN Cc1ccc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c(Br)c1 ZINC000333551952 565887355 /nfs/dbraw/zinc/88/73/55/565887355.db2.gz JOXJJWLSFGLCDS-UHFFFAOYSA-N 0 1 389.297 3.035 20 0 GGADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000333564334 565887788 /nfs/dbraw/zinc/88/77/88/565887788.db2.gz XAOMUQLLFDGPLX-UKRRQHHQSA-N 0 1 389.297 3.229 20 0 GGADMN O=C(NC1CCN(Cc2cc(Br)cc3cccnc32)CC1)C1CC1 ZINC000195527429 565888758 /nfs/dbraw/zinc/88/87/58/565888758.db2.gz NJJGILPDGXVSBY-UHFFFAOYSA-N 0 1 388.309 3.488 20 0 GGADMN C[S@](=O)Cc1cccc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000195504808 565889178 /nfs/dbraw/zinc/88/91/78/565889178.db2.gz 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O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178119824 565898130 /nfs/dbraw/zinc/89/81/30/565898130.db2.gz PLXOGHFCJJJOCW-DOPJRALCSA-N 0 1 383.319 3.278 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000414157710 565898777 /nfs/dbraw/zinc/89/87/77/565898777.db2.gz SAWXNGTWKXTJEC-MNOVXSKESA-N 0 1 382.327 3.295 20 0 GGADMN C[NH+](C)C(C)(C)CNCc1cc(Br)c([O-])c(Br)c1 ZINC000218411037 565899896 /nfs/dbraw/zinc/89/98/96/565899896.db2.gz WVNHTBPHVXUQTL-UHFFFAOYSA-N 0 1 380.124 3.347 20 0 GGADMN COC(=O)c1cnc([C@H](C)NCCCCn2cc(Br)cn2)s1 ZINC000414160179 565900039 /nfs/dbraw/zinc/90/00/39/565900039.db2.gz ZGPBOLRHDNUREN-JTQLQIEISA-N 0 1 387.303 3.020 20 0 GGADMN Cc1c([C@@H](C)NCCS(C)(=O)=O)cnn1-c1ccc(Cl)cc1Cl ZINC000178135021 565900153 /nfs/dbraw/zinc/90/01/53/565900153.db2.gz YOYQUMYYBHIWLN-SNVBAGLBSA-N 0 1 376.309 3.183 20 0 GGADMN O=C(Nc1cc(Br)ccn1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000285320572 565900405 /nfs/dbraw/zinc/90/04/05/565900405.db2.gz 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/nfs/dbraw/zinc/90/42/91/565904291.db2.gz BSDHMYPGSZEQEY-XWIASGKRSA-N 0 1 376.341 3.151 20 0 GGADMN CC(C)[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000414258028 565906205 /nfs/dbraw/zinc/90/62/05/565906205.db2.gz LIKLSFHNBAJMOD-GOSISDBHSA-N 0 1 381.519 3.410 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2c(F)ccc(Br)c2C1 ZINC000333989060 565907811 /nfs/dbraw/zinc/90/78/11/565907811.db2.gz IQUOMAFJBPXCLQ-HNNXBMFYSA-N 0 1 393.260 3.457 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3ccc(Br)o3)no2)[nH]n1 ZINC000178265719 565908504 /nfs/dbraw/zinc/90/85/04/565908504.db2.gz FJKMKXZPXHLGIJ-UHFFFAOYSA-N 0 1 389.213 3.500 20 0 GGADMN CC[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H](O)C(C)C ZINC000414290134 565908623 /nfs/dbraw/zinc/90/86/23/565908623.db2.gz IPWPFKLIFLRVFL-SQWLQELKSA-N 0 1 390.343 3.053 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1Cl ZINC000414283278 565908657 /nfs/dbraw/zinc/90/86/57/565908657.db2.gz OWTCLRGCCBFROC-CQSZACIVSA-N 0 1 386.901 3.453 20 0 GGADMN CCOc1c(Cl)cc(CNCC2(S(C)(=O)=O)CCCC2)cc1OC ZINC000285477117 565909516 /nfs/dbraw/zinc/90/95/16/565909516.db2.gz LDROFZGTBALECS-UHFFFAOYSA-N 0 1 375.918 3.194 20 0 GGADMN Cc1ccc(-c2cc(=NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[nH][n-]2)s1 ZINC000334057455 565909706 /nfs/dbraw/zinc/90/97/06/565909706.db2.gz WGHRLLTUEUFXNF-AWEZNQCLSA-N 0 1 376.551 3.025 20 0 GGADMN Cc1ccc(-c2cc(=NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)[nH][n-]2)s1 ZINC000334057456 565910083 /nfs/dbraw/zinc/91/00/83/565910083.db2.gz WGHRLLTUEUFXNF-CQSZACIVSA-N 0 1 376.551 3.025 20 0 GGADMN CCCCOc1cccc(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414317412 565910997 /nfs/dbraw/zinc/91/09/97/565910997.db2.gz VYZJFNFMAPZRCV-UHFFFAOYSA-N 0 1 382.913 3.456 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C[C@H]1CCOC1 ZINC000178346736 565913878 /nfs/dbraw/zinc/91/38/78/565913878.db2.gz RYFAJAHSIPGRJF-SNVBAGLBSA-N 0 1 395.219 3.375 20 0 GGADMN CN(C[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1)S(C)(=O)=O ZINC000285577023 565914186 /nfs/dbraw/zinc/91/41/86/565914186.db2.gz KRIWPBRDIDVNND-AWEZNQCLSA-N 0 1 378.510 3.105 20 0 GGADMN COCCOc1c(Cl)cc(NS(=O)(=O)c2cccn2C)cc1Cl ZINC000414380702 565919761 /nfs/dbraw/zinc/91/97/61/565919761.db2.gz JKQUZSOOGXQUBV-UHFFFAOYSA-N 0 1 379.265 3.158 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cnc2ccsc2c1 ZINC000178502304 565921474 /nfs/dbraw/zinc/92/14/74/565921474.db2.gz TWLUMAXCCBSTSA-ZDUSSCGKSA-N 0 1 375.519 3.397 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000178501910 565922257 /nfs/dbraw/zinc/92/22/57/565922257.db2.gz FUFDYJRVIXBPLF-QGZVFWFLSA-N 0 1 380.510 3.403 20 0 GGADMN O=C1[C@@H](N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCN1CC(F)(F)F ZINC000285707077 565923503 /nfs/dbraw/zinc/92/35/03/565923503.db2.gz WFNMLYJKSWYQIR-STQMWFEESA-N 0 1 385.213 3.170 20 0 GGADMN CC(C)(C(=O)Nc1cc(Cl)cc(Br)c1O)S(=O)(=O)C1CC1 ZINC000285753919 565924947 /nfs/dbraw/zinc/92/49/47/565924947.db2.gz UYGWOVVEXFXCGE-UHFFFAOYSA-N 0 1 396.690 3.102 20 0 GGADMN CC(C)Oc1cc(Br)cc(NC(=O)NCCCc2nc[nH]n2)c1 ZINC000285773307 565925542 /nfs/dbraw/zinc/92/55/42/565925542.db2.gz MPKPYPXQLKUUFY-UHFFFAOYSA-N 0 1 382.262 3.109 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)CCc2ccc(Cl)s2)C1 ZINC000285795187 565927300 /nfs/dbraw/zinc/92/73/00/565927300.db2.gz NTEVTSLVRPQNFW-YPMHNXCESA-N 0 1 380.901 3.318 20 0 GGADMN CC(=O)c1cccc(NC(=O)c2ccc(I)c(O)c2)c1 ZINC000230885536 565929292 /nfs/dbraw/zinc/92/92/92/565929292.db2.gz CCSNIUYMSGTQQX-UHFFFAOYSA-N 0 1 381.169 3.452 20 0 GGADMN CCCC[N@H+](CC(N)=O)Cc1cc(Br)c([O-])c(Br)c1 ZINC000232980306 565933159 /nfs/dbraw/zinc/93/31/59/565933159.db2.gz MFXWTCSUSUGTPI-UHFFFAOYSA-N 0 1 394.107 3.005 20 0 GGADMN CCCC[N@@H+](CC(N)=O)Cc1cc(Br)c([O-])c(Br)c1 ZINC000232980306 565933162 /nfs/dbraw/zinc/93/31/62/565933162.db2.gz MFXWTCSUSUGTPI-UHFFFAOYSA-N 0 1 394.107 3.005 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc(SC)c(Cl)cc2Cl)C1 ZINC000285926578 565933387 /nfs/dbraw/zinc/93/33/87/565933387.db2.gz URZZBDDVVQYYBT-PELKAZGASA-N 0 1 387.292 3.436 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2cc(F)cc(Br)c2F)cn1C ZINC000414449920 565934470 /nfs/dbraw/zinc/93/44/70/565934470.db2.gz DXHDLJSRDCMLEF-UHFFFAOYSA-N 0 1 394.241 3.385 20 0 GGADMN Cn1cccc1S(=O)(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000414447833 565934708 /nfs/dbraw/zinc/93/47/08/565934708.db2.gz YCJDGFRPTAJPIX-UHFFFAOYSA-N 0 1 384.299 3.189 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2cc(F)ccc2Br)cn1C ZINC000414452352 565935281 /nfs/dbraw/zinc/93/52/81/565935281.db2.gz KXBIXSUHTRKYLR-UHFFFAOYSA-N 0 1 376.251 3.246 20 0 GGADMN N[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000178723871 565935408 /nfs/dbraw/zinc/93/54/08/565935408.db2.gz SAXCIWUDAKSFEZ-KBXCAEBGSA-N 0 1 388.309 3.092 20 0 GGADMN COc1c(Br)cccc1CN[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000178742089 565935488 /nfs/dbraw/zinc/93/54/88/565935488.db2.gz DZLWSJDQLXVKBX-GFCCVEGCSA-N 0 1 395.219 3.101 20 0 GGADMN Cc1nc(C)c([C@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)s1 ZINC000178746800 565935720 /nfs/dbraw/zinc/93/57/20/565935720.db2.gz KQWTUIXOUVTOBK-ZDUSSCGKSA-N 0 1 381.567 3.439 20 0 GGADMN CCn1cc(Br)cc1-c1nc([C@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000350334974 565936073 /nfs/dbraw/zinc/93/60/73/565936073.db2.gz DQZJIEGEPOAFRU-CJNGLKHVSA-N 0 1 381.274 3.246 20 0 GGADMN COc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)c(Br)c1 ZINC000285983835 565936146 /nfs/dbraw/zinc/93/61/46/565936146.db2.gz OCOSLIHWEYHMON-HOTGVXAUSA-N 0 1 380.286 3.201 20 0 GGADMN Cc1ncc2n1CC[C@H](c1nc(-c3cn4ccc(Br)cc4n3)no1)C2 ZINC000350428974 565936195 /nfs/dbraw/zinc/93/61/95/565936195.db2.gz GIVDZAWJIVTRDJ-NSHDSACASA-N 0 1 399.252 3.382 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000285996323 565937070 /nfs/dbraw/zinc/93/70/70/565937070.db2.gz YRHHSYFLYFCBOJ-XVSYOHENSA-N 0 1 381.263 3.204 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)s1 ZINC000414466143 565937456 /nfs/dbraw/zinc/93/74/56/565937456.db2.gz ZENGLVYCXYCMQS-UHFFFAOYSA-N 0 1 381.475 3.483 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000285996314 565937662 /nfs/dbraw/zinc/93/76/62/565937662.db2.gz YRHHSYFLYFCBOJ-LEKOTGGOSA-N 0 1 381.263 3.204 20 0 GGADMN COC(=O)C[C@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000178785753 565937581 /nfs/dbraw/zinc/93/75/81/565937581.db2.gz DQGCIADWQLNZDT-GFCCVEGCSA-N 0 1 392.253 3.007 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000285996320 565937705 /nfs/dbraw/zinc/93/77/05/565937705.db2.gz YRHHSYFLYFCBOJ-WUWHUORYSA-N 0 1 381.263 3.204 20 0 GGADMN O=S(=O)(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)c(Br)c1 ZINC000236072461 565938220 /nfs/dbraw/zinc/93/82/20/565938220.db2.gz GPYKDXPTNKNUCR-KGLIPLIRSA-N 0 1 393.734 3.008 20 0 GGADMN CCc1ccc(S(=O)(=O)Nc2cccc(C)c2S(C)(=O)=O)cc1CC ZINC000414469477 565938778 /nfs/dbraw/zinc/93/87/78/565938778.db2.gz GHYZDVWMVSLYLX-UHFFFAOYSA-N 0 1 381.519 3.324 20 0 GGADMN O[C@H](CNCc1ccc(OC(F)(F)F)c(Br)c1)C(F)(F)F ZINC000236550113 565938743 /nfs/dbraw/zinc/93/87/43/565938743.db2.gz CESCECBNDFZFEH-SECBINFHSA-N 0 1 382.098 3.361 20 0 GGADMN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1cc(F)ccc1Br ZINC000178800351 565939042 /nfs/dbraw/zinc/93/90/42/565939042.db2.gz FWXOVVQONPEERL-UHFFFAOYSA-N 0 1 398.213 3.439 20 0 GGADMN O=C(c1cccc(OCc2ccccc2Br)c1)N1CCNCC1 ZINC000236576680 565939825 /nfs/dbraw/zinc/93/98/25/565939825.db2.gz MHVLOPRZGUTAIZ-UHFFFAOYSA-N 0 1 375.266 3.074 20 0 GGADMN O=C([C@H](Oc1ccccc1Br)c1ccccc1)N1CCNCC1 ZINC000236584078 565940140 /nfs/dbraw/zinc/94/01/40/565940140.db2.gz KSVKBFQBYXEOAB-QGZVFWFLSA-N 0 1 375.266 3.001 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000414471487 565940546 /nfs/dbraw/zinc/94/05/46/565940546.db2.gz LIEZQBWTHLQFMN-UHFFFAOYSA-N 0 1 390.839 3.359 20 0 GGADMN COCC(COC)N1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000414471874 565940754 /nfs/dbraw/zinc/94/07/54/565940754.db2.gz MUGBYAPHWJCSOB-UHFFFAOYSA-N 0 1 375.340 3.205 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc(OC)cc(OC)c2)c1 ZINC000414479931 565941700 /nfs/dbraw/zinc/94/17/00/565941700.db2.gz JFPZBONVWICKJX-UHFFFAOYSA-N 0 1 383.897 3.441 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cnc3n[nH]c(C)c3c2)c1 ZINC000414484801 565942070 /nfs/dbraw/zinc/94/20/70/565942070.db2.gz QLECKYMIDMAMQJ-UHFFFAOYSA-N 0 1 378.885 3.003 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(C(=O)OC)cc2)c1 ZINC000414497281 565942805 /nfs/dbraw/zinc/94/28/05/565942805.db2.gz SJCSKKSICLFDND-UHFFFAOYSA-N 0 1 381.881 3.210 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cnc3ccc(C)cn23)c1 ZINC000414494375 565943209 /nfs/dbraw/zinc/94/32/09/565943209.db2.gz KPCAMEOVYYCHER-UHFFFAOYSA-N 0 1 377.897 3.380 20 0 GGADMN CN(C)C(=O)[C@H]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000414499310 565943285 /nfs/dbraw/zinc/94/32/85/565943285.db2.gz OMPVKPQNXFHLIF-NSHDSACASA-N 0 1 395.219 3.258 20 0 GGADMN CC[C@@H](NCc1c(Br)cncc1Br)[C@H](O)C(C)C ZINC000414526454 565945040 /nfs/dbraw/zinc/94/50/40/565945040.db2.gz LJSNYXVKQSVJLD-CHWSQXEVSA-N 0 1 380.124 3.492 20 0 GGADMN CC(C)(CCNCc1cc(Cl)ccc1OC[C@H]1CCCO1)S(C)(=O)=O ZINC000414520061 565945085 /nfs/dbraw/zinc/94/50/85/565945085.db2.gz YTBGVDRXUIAPIF-MRXNPFEDSA-N 0 1 389.945 3.201 20 0 GGADMN CC[C@@H](NCc1ncc(Br)cc1Br)[C@H](O)C(C)C ZINC000414525847 565945312 /nfs/dbraw/zinc/94/53/12/565945312.db2.gz KKQKKVGWHVBFCL-DGCLKSJQSA-N 0 1 380.124 3.492 20 0 GGADMN CCOc1c(Cl)cc(CNCCS(=O)(=O)c2ccccc2)cc1OC ZINC000236844907 565945566 /nfs/dbraw/zinc/94/55/66/565945566.db2.gz FAOPWYXXMDKXBA-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1n[nH]c2ccc(Br)cc21 ZINC000178924957 565946041 /nfs/dbraw/zinc/94/60/41/565946041.db2.gz WQIUSSBBEWOOGP-VQISRLSMSA-N 0 1 376.254 3.013 20 0 GGADMN CCS(=O)(=O)CCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000414543624 565946166 /nfs/dbraw/zinc/94/61/66/565946166.db2.gz OFGOIZZEIXWOSP-UHFFFAOYSA-N 0 1 382.913 3.228 20 0 GGADMN COC(=O)Cn1cc(CCN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000178918256 565946515 /nfs/dbraw/zinc/94/65/15/565946515.db2.gz DOMHJZVZSSYQBY-INIZCTEOSA-N 0 1 383.279 3.138 20 0 GGADMN COc1cc(CN[C@@H](C)C(=O)NC(C)C)cc(Br)c1OC(F)F ZINC000414545765 565946560 /nfs/dbraw/zinc/94/65/60/565946560.db2.gz RQCBVPWPWLDEFG-VIFPVBQESA-N 0 1 395.244 3.062 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](CO)c1ccc(F)cc1 ZINC000414535791 565946768 /nfs/dbraw/zinc/94/67/68/565946768.db2.gz WUHSKKRCNSBIFC-HNNXBMFYSA-N 0 1 385.888 3.138 20 0 GGADMN COc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)c(Br)c1 ZINC000414552892 565948519 /nfs/dbraw/zinc/94/85/19/565948519.db2.gz QTVXZWDAOCGEQU-HNNXBMFYSA-N 0 1 381.314 3.435 20 0 GGADMN CCN(CC(=O)Nc1ccnn1Cc1cccc(Br)c1)C1CC1 ZINC000178982211 565950354 /nfs/dbraw/zinc/95/03/54/565950354.db2.gz MENSOOOTAUSETR-UHFFFAOYSA-N 0 1 377.286 3.117 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000286253457 565950355 /nfs/dbraw/zinc/95/03/55/565950355.db2.gz FBKBEVBNZAZSCN-JTQLQIEISA-N 0 1 375.885 3.234 20 0 GGADMN CCOC[C@H](NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C(C)C ZINC000286261472 565950396 /nfs/dbraw/zinc/95/03/96/565950396.db2.gz SSKMQMRUCYVLDQ-KRWDZBQOSA-N 0 1 382.551 3.364 20 0 GGADMN COc1ccc(CNCc2cc(OC)c(O)c(OC)c2)cc1Br ZINC000237102623 565950447 /nfs/dbraw/zinc/95/04/47/565950447.db2.gz JMJPPAJXHPHMQQ-UHFFFAOYSA-N 0 1 382.254 3.470 20 0 GGADMN COCc1cc(CNC2CCN(Cc3cccc(Br)c3)CC2)no1 ZINC000414584128 565951130 /nfs/dbraw/zinc/95/11/30/565951130.db2.gz IYKGWBRFGUVRSD-UHFFFAOYSA-N 0 1 394.313 3.338 20 0 GGADMN Cc1nc([C@H](C)NC(=O)COc2ccc(C3SCCCS3)cc2)n[nH]1 ZINC000286303995 565952767 /nfs/dbraw/zinc/95/27/67/565952767.db2.gz IKNGJRNWYQSHOO-NSHDSACASA-N 0 1 378.523 3.238 20 0 GGADMN CCS[C@@H]1CCC[C@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000286339952 565953884 /nfs/dbraw/zinc/95/38/84/565953884.db2.gz XKBRCRKLHMFUBU-HUUCEWRRSA-N 0 1 378.567 3.284 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2ccc(Br)cc2Br)n[nH]1 ZINC000286319430 565954003 /nfs/dbraw/zinc/95/40/03/565954003.db2.gz JOYGEJUQNKPJBR-ZCFIWIBFSA-N 0 1 388.063 3.129 20 0 GGADMN O=C(Nc1cncc(Br)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000179050261 565955121 /nfs/dbraw/zinc/95/51/21/565955121.db2.gz RQJGYDCUVHRGSQ-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN COCCNCC(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC000237264603 565955576 /nfs/dbraw/zinc/95/55/76/565955576.db2.gz GVCNISHJXGBHPX-UHFFFAOYSA-N 0 1 379.913 3.439 20 0 GGADMN Cc1cc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)sc1Br ZINC000286369858 565956056 /nfs/dbraw/zinc/95/60/56/565956056.db2.gz GGKBGHYOOGDOCL-CMPLNLGQSA-N 0 1 383.315 3.009 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000286393947 565957298 /nfs/dbraw/zinc/95/72/98/565957298.db2.gz NVGQMPHFJLDHCP-ZCFIWIBFSA-N 0 1 377.164 3.385 20 0 GGADMN Cc1ccnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1Br ZINC000286424727 565958755 /nfs/dbraw/zinc/95/87/55/565958755.db2.gz HRFJDXPBCSJQMY-UHFFFAOYSA-N 0 1 381.362 3.147 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1ccc(Br)cc1F ZINC000286432490 565959098 /nfs/dbraw/zinc/95/90/98/565959098.db2.gz GMOVRBFVDLTTIC-SJKOYZFVSA-N 0 1 399.304 3.409 20 0 GGADMN Cc1ncc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000179130601 565959623 /nfs/dbraw/zinc/95/96/23/565959623.db2.gz NZSLSKGOLWKRFH-CQSZACIVSA-N 0 1 379.551 3.477 20 0 GGADMN C[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)Oc1ccccc1Br ZINC000237449159 565960313 /nfs/dbraw/zinc/96/03/13/565960313.db2.gz UWAKSVPBCWSVCL-DYVFJYSZSA-N 0 1 389.293 3.047 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1nc2ccc(Br)cc2n1C ZINC000286439143 565960510 /nfs/dbraw/zinc/96/05/10/565960510.db2.gz LPXUYUNRDNXTFS-AWEZNQCLSA-N 0 1 393.329 3.217 20 0 GGADMN C[C@H](NC(=O)[C@@H](N)c1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC000237438719 565960753 /nfs/dbraw/zinc/96/07/53/565960753.db2.gz VFFPFUHEHGIMKF-GTNSWQLSSA-N 0 1 391.265 3.098 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(OCc2ccccc2F)CC1 ZINC000360792439 565961984 /nfs/dbraw/zinc/96/19/84/565961984.db2.gz VQQKVLBGFMIBRT-UHFFFAOYSA-N 0 1 399.538 3.266 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1ccc(Br)cc1 ZINC000237554096 565963599 /nfs/dbraw/zinc/96/35/99/565963599.db2.gz JTQDYWWKXUTCOK-ZDUSSCGKSA-N 0 1 393.329 3.178 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(Br)sc2Br)n[nH]1 ZINC000286516521 565964828 /nfs/dbraw/zinc/96/48/28/565964828.db2.gz XOSFXZWBAYFGFW-SCSAIBSYSA-N 0 1 394.092 3.191 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(Sc3cccc(Br)c3)n2)CCN1 ZINC000237578083 565964109 /nfs/dbraw/zinc/96/41/09/565964109.db2.gz HZLXPENPGQJPRV-LBPRGKRZSA-N 0 1 392.322 3.429 20 0 GGADMN Cc1nc([C@H](C)NC(=O)CSc2cc(C)c(Br)cc2C)n[nH]1 ZINC000286508382 565964562 /nfs/dbraw/zinc/96/45/62/565964562.db2.gz WYRDPDGWFGZXAS-JTQLQIEISA-N 0 1 383.315 3.462 20 0 GGADMN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)CNC[C@H]2CCCO2)s1 ZINC000237604833 565965243 /nfs/dbraw/zinc/96/52/43/565965243.db2.gz QMWKKOIBAFRJRG-OAHLLOKOSA-N 0 1 379.913 3.403 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H]2CCc3c2cccc3Br)cc1 ZINC000179209247 565965461 /nfs/dbraw/zinc/96/54/61/565965461.db2.gz FMNJRVMNEIOFPX-SFHVURJKSA-N 0 1 389.293 3.351 20 0 GGADMN COc1ccc(CNC(=O)CN[C@@H]2CCc3c2cccc3Br)cc1 ZINC000179209236 565965536 /nfs/dbraw/zinc/96/55/36/565965536.db2.gz FMNJRVMNEIOFPX-GOSISDBHSA-N 0 1 389.293 3.351 20 0 GGADMN CCOC(=O)C[C@H](Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(C)=O ZINC000286542209 565965948 /nfs/dbraw/zinc/96/59/48/565965948.db2.gz KTPWZGIPRILKAZ-ZDUSSCGKSA-N 0 1 383.857 3.137 20 0 GGADMN C[C@H]1CNCCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000237630190 565966318 /nfs/dbraw/zinc/96/63/18/565966318.db2.gz YBAOVRCMNMQFGU-LBPRGKRZSA-N 0 1 376.254 3.070 20 0 GGADMN C[C@H](NCCCNC(=O)c1cccc(O)c1)c1ncc(Br)s1 ZINC000179221965 565966928 /nfs/dbraw/zinc/96/69/28/565966928.db2.gz HKXKFWIGPMCKIO-JTQLQIEISA-N 0 1 384.299 3.082 20 0 GGADMN Cc1ccc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000237678920 565967582 /nfs/dbraw/zinc/96/75/82/565967582.db2.gz UWAFPJDWEDZSSU-RCBQFDQVSA-N 0 1 395.297 3.414 20 0 GGADMN O=C(NCCCc1ccc(Br)cc1F)[C@H]1Cc2ccccc2CN1 ZINC000237695659 565967660 /nfs/dbraw/zinc/96/76/60/565967660.db2.gz ISKACNYJPXXRJE-GOSISDBHSA-N 0 1 391.284 3.352 20 0 GGADMN Cc1nc(NC(=O)CNC[C@@H]2CCCO2)sc1Cc1ccccc1Cl ZINC000237667424 565967962 /nfs/dbraw/zinc/96/79/62/565967962.db2.gz ZZNQUVPBNXYSOY-AWEZNQCLSA-N 0 1 379.913 3.403 20 0 GGADMN N[C@@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000237804472 565971750 /nfs/dbraw/zinc/97/17/50/565971750.db2.gz ILZAUVWOAXGWQL-IAGOWNOFSA-N 0 1 375.266 3.049 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000286667112 565973490 /nfs/dbraw/zinc/97/34/90/565973490.db2.gz ODQRZJOEPBOHRH-UHFFFAOYSA-N 0 1 395.301 3.237 20 0 GGADMN O=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@@H]1CNCCO1 ZINC000237871567 565973539 /nfs/dbraw/zinc/97/35/39/565973539.db2.gz YIMSKKPXTLADNX-INIZCTEOSA-N 0 1 381.259 3.390 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCCS(C)(=O)=O ZINC000237892212 565973826 /nfs/dbraw/zinc/97/38/26/565973826.db2.gz ZVUIYLZTXRHMPV-UHFFFAOYSA-N 0 1 390.336 3.071 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)c(O)cc2F)no1 ZINC000286671331 565974120 /nfs/dbraw/zinc/97/41/20/565974120.db2.gz 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O=C(NC[C@@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000289617420 566131708 /nfs/dbraw/zinc/13/17/08/566131708.db2.gz YUVYJCCUQVLFFS-QMMMGPOBSA-N 0 1 375.338 3.052 20 0 GGADMN CC(C)c1nc([C@H](C)NCc2cn(-c3ccccc3Br)nn2)n[nH]1 ZINC000289599907 566131882 /nfs/dbraw/zinc/13/18/82/566131882.db2.gz UUWMIHBDELPIHO-NSHDSACASA-N 0 1 390.289 3.122 20 0 GGADMN NC1(c2noc(-c3ccc(I)c(Cl)c3)n2)CCC1 ZINC000261750999 566131963 /nfs/dbraw/zinc/13/19/63/566131963.db2.gz LSYHFPKCEREEIT-UHFFFAOYSA-N 0 1 375.597 3.333 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)c(C)c1F ZINC000181324437 566132832 /nfs/dbraw/zinc/13/28/32/566132832.db2.gz WTRRHWULKNWNPX-UHFFFAOYSA-N 0 1 389.246 3.409 20 0 GGADMN CC(C)n1cc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000289623251 566133033 /nfs/dbraw/zinc/13/30/33/566133033.db2.gz FUFYOBUTYSGXKF-AWEZNQCLSA-N 0 1 378.318 3.238 20 0 GGADMN CCOCCC1(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)CCC1 ZINC000261781507 566133177 /nfs/dbraw/zinc/13/31/77/566133177.db2.gz PIJPNHGFGNHRRJ-KRWDZBQOSA-N 0 1 383.330 3.336 20 0 GGADMN C[C@@](N)(C(=O)Nc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000261754824 566133649 /nfs/dbraw/zinc/13/36/49/566133649.db2.gz NBRGXOJJJNUALM-ZDUSSCGKSA-N 0 1 391.191 3.021 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261771252 566133681 /nfs/dbraw/zinc/13/36/81/566133681.db2.gz OIRMFKOOEASZKS-SKDZVZGDSA-N 0 1 383.330 3.335 20 0 GGADMN Cc1cc(F)ccc1CCNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261771055 566133839 /nfs/dbraw/zinc/13/38/39/566133839.db2.gz OGZTXOCPLSNSDS-SFHVURJKSA-N 0 1 379.273 3.429 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cncc(Br)c2)c(C)c1F ZINC000181339705 566133979 /nfs/dbraw/zinc/13/39/79/566133979.db2.gz PHCTZNHGMXDDLR-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN NC1(c2noc([C@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)CCCC1 ZINC000261798014 566134656 /nfs/dbraw/zinc/13/46/56/566134656.db2.gz OYYIUWWJDZYXIF-NSHDSACASA-N 0 1 391.269 3.081 20 0 GGADMN CN(C)c1ccccc1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261791199 566134989 /nfs/dbraw/zinc/13/49/89/566134989.db2.gz QGNACUBKRYZTCG-SFHVURJKSA-N 0 1 376.298 3.005 20 0 GGADMN COc1cc(CCNC(=O)[C@](C)(N)c2ccc(Br)cc2)ccc1C ZINC000261805975 566135242 /nfs/dbraw/zinc/13/52/42/566135242.db2.gz RLVDLFMZPXASRW-LJQANCHMSA-N 0 1 391.309 3.299 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(O)c(OC)cc1Br ZINC000289695176 566135372 /nfs/dbraw/zinc/13/53/72/566135372.db2.gz OKDQTPGKYSYDMD-ZDUSSCGKSA-N 0 1 385.302 3.044 20 0 GGADMN COc1cc(CCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)ccc1C ZINC000261805974 566135473 /nfs/dbraw/zinc/13/54/73/566135473.db2.gz RLVDLFMZPXASRW-IBGZPJMESA-N 0 1 391.309 3.299 20 0 GGADMN O=S(=O)(Nc1cnc2c(c1)COCC2)c1ccc(C(F)(F)F)c(F)c1 ZINC000366091831 566135814 /nfs/dbraw/zinc/13/58/14/566135814.db2.gz MXHCHJRYANIZJY-UHFFFAOYSA-N 0 1 376.331 3.113 20 0 GGADMN Cc1c(Br)ccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1F ZINC000289700577 566136566 /nfs/dbraw/zinc/13/65/66/566136566.db2.gz MELVOYDALGJZGK-ZWNOBZJWSA-N 0 1 382.233 3.482 20 0 GGADMN NC1(c2noc([C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)CCC1 ZINC000261826413 566136592 /nfs/dbraw/zinc/13/65/92/566136592.db2.gz QZTZQGFSHXLFNN-CQSZACIVSA-N 0 1 383.279 3.136 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1CCOc2c(F)cccc21)c1ccc(Br)cc1 ZINC000261817597 566136627 /nfs/dbraw/zinc/13/66/27/566136627.db2.gz SIGVKASSFSFIRO-CRAIPNDOSA-N 0 1 393.256 3.402 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000261846894 566137136 /nfs/dbraw/zinc/13/71/36/566137136.db2.gz VLIPBHZWQGOKPX-LZLYRXPVSA-N 0 1 377.257 3.434 20 0 GGADMN C[C@H](COc1cccc(F)c1)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261837367 566137874 /nfs/dbraw/zinc/13/78/74/566137874.db2.gz UQNMLNWNSMXNIQ-KZULUSFZSA-N 0 1 395.272 3.346 20 0 GGADMN C[C@H](NCc1cn2ccc(Br)cc2n1)c1ccc2c(c1)CC(=O)N2C ZINC000289771087 566138592 /nfs/dbraw/zinc/13/85/92/566138592.db2.gz GLCNKIGBZYBPMH-LBPRGKRZSA-N 0 1 399.292 3.467 20 0 GGADMN COC(=O)c1cc(CNCCC(=O)Nc2ccc(Br)cc2)oc1C ZINC000181385621 566138710 /nfs/dbraw/zinc/13/87/10/566138710.db2.gz YWKLHYYGHKVDCE-UHFFFAOYSA-N 0 1 395.253 3.256 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181385606 566138723 /nfs/dbraw/zinc/13/87/23/566138723.db2.gz CARLXAULLOSULY-RBSFLKMASA-N 0 1 375.270 3.425 20 0 GGADMN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261870198 566139129 /nfs/dbraw/zinc/13/91/29/566139129.db2.gz XTWWEMMHQZFODO-QANKJYHBSA-N 0 1 383.330 3.190 20 0 GGADMN C[C@](N)(C(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(Br)cc1 ZINC000261870296 566139342 /nfs/dbraw/zinc/13/93/42/566139342.db2.gz XUQQNZDMWFQFOM-LLVKDONJSA-N 0 1 395.204 3.132 20 0 GGADMN CO[C@H](C)c1nc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)cs1 ZINC000261872254 566139445 /nfs/dbraw/zinc/13/94/45/566139445.db2.gz SKANXFOYUYPOPW-QLJPJBMISA-N 0 1 398.326 3.103 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000261934564 566140135 /nfs/dbraw/zinc/14/01/35/566140135.db2.gz TXENMUJMYGCROI-QGZVFWFLSA-N 0 1 389.293 3.131 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ncc(-c3cncc(F)c3)cn2)cc1Cl ZINC000366200250 566140932 /nfs/dbraw/zinc/14/09/32/566140932.db2.gz GTXPAXVPDDOYPA-UHFFFAOYSA-N 0 1 378.816 3.440 20 0 GGADMN CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCCC[C@@H]1O ZINC000181457130 566142055 /nfs/dbraw/zinc/14/20/55/566142055.db2.gz JRELMYLVLZPMNI-FZMZJTMJSA-N 0 1 376.831 3.363 20 0 GGADMN COc1ccccc1CN(C)C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261949605 566142217 /nfs/dbraw/zinc/14/22/17/566142217.db2.gz GYFWZZKOUBDPIJ-SFHVURJKSA-N 0 1 377.282 3.290 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CCc1ccncc1 ZINC000181459275 566142379 /nfs/dbraw/zinc/14/23/79/566142379.db2.gz SGOAKJRGPKDHJF-OAHLLOKOSA-N 0 1 390.325 3.366 20 0 GGADMN C[C@@H](N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)C1CCS(=O)(=O)CC1 ZINC000289828078 566142584 /nfs/dbraw/zinc/14/25/84/566142584.db2.gz UHOMASXTWBWMDQ-NEPJUHHUSA-N 0 1 383.901 3.254 20 0 GGADMN CN(Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181482848 566142865 /nfs/dbraw/zinc/14/28/65/566142865.db2.gz AUTLJQREKXPWQM-WFASDCNBSA-N 0 1 380.286 3.482 20 0 GGADMN O=C(NCc1ccc(Cl)s1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181469557 566142966 /nfs/dbraw/zinc/14/29/66/566142966.db2.gz OOFPYYJIPACIMW-UHFFFAOYSA-N 0 1 384.795 3.470 20 0 GGADMN C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cnc2ccsc2c1 ZINC000181501139 566143939 /nfs/dbraw/zinc/14/39/39/566143939.db2.gz HAFVPBAFABIGBC-GFCCVEGCSA-N 0 1 381.548 3.329 20 0 GGADMN Cc1sc([C@H](C)NC(=O)C[C@@H]2COCCN2)nc1-c1ccc(Cl)cc1 ZINC000262030143 566144009 /nfs/dbraw/zinc/14/40/09/566144009.db2.gz AIPGZACDBUAVFM-XHDPSFHLSA-N 0 1 379.913 3.328 20 0 GGADMN CN(CCOc1ccccc1)C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000262012091 566144116 /nfs/dbraw/zinc/14/41/16/566144116.db2.gz WSWIRVBBAZFAKV-SFHVURJKSA-N 0 1 377.282 3.160 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)n1 ZINC000262039123 566144612 /nfs/dbraw/zinc/14/46/12/566144612.db2.gz QAWAFTVZOCHFJP-MRXNPFEDSA-N 0 1 376.913 3.012 20 0 GGADMN CCSc1cccc(Br)c1NC(=O)NCCc1nc(C)n[nH]1 ZINC000289908391 566146127 /nfs/dbraw/zinc/14/61/27/566146127.db2.gz UZGGRLDEVDRRTO-UHFFFAOYSA-N 0 1 384.303 3.352 20 0 GGADMN Clc1cc(Cl)c2nc(-c3nc([C@H]4CN5CCC[C@H]5CO4)no3)cn2c1 ZINC000289903964 566146158 /nfs/dbraw/zinc/14/61/58/566146158.db2.gz WPUKBMUKFJMTLP-GXFFZTMASA-N 0 1 380.235 3.227 20 0 GGADMN CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262127271 566146634 /nfs/dbraw/zinc/14/66/34/566146634.db2.gz LTGGEXUYBCZDTF-BBWFWOEESA-N 0 1 387.952 3.200 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H]2CCSc3ccc(F)cc32)s1 ZINC000181512487 566147069 /nfs/dbraw/zinc/14/70/69/566147069.db2.gz TXVRBBRUCCJICO-AWEZNQCLSA-N 0 1 386.539 3.301 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc3ccccc3n2)s1 ZINC000181510697 566147142 /nfs/dbraw/zinc/14/71/42/566147142.db2.gz QYFZOGHDYRVKSG-CQSZACIVSA-N 0 1 375.519 3.234 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H]2CCCOc3cc(C)ccc32)s1 ZINC000181511606 566147284 /nfs/dbraw/zinc/14/72/84/566147284.db2.gz ARJPNAFKCLFAHB-INIZCTEOSA-N 0 1 380.535 3.147 20 0 GGADMN CO[C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)CC(C)C ZINC000417366198 566147731 /nfs/dbraw/zinc/14/77/31/566147731.db2.gz NCETZCKPUGUPJD-ZFWWWQNUSA-N 0 1 390.343 3.318 20 0 GGADMN COC[C@@H](N)C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000262213566 566148100 /nfs/dbraw/zinc/14/81/00/566148100.db2.gz OIIUHTOQJXLJSY-SNVBAGLBSA-N 0 1 393.321 3.049 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Br)c1OC ZINC000262209331 566148569 /nfs/dbraw/zinc/14/85/69/566148569.db2.gz TWDHOTKMLZRLTK-YVEFUNNKSA-N 0 1 384.270 3.153 20 0 GGADMN O=C(C[C@H]1COCCN1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000262214758 566148601 /nfs/dbraw/zinc/14/86/01/566148601.db2.gz OMXPHQMLEZKLHH-ZDUSSCGKSA-N 0 1 382.247 3.498 20 0 GGADMN C[C@H](N[C@H]1CCN(CC(F)F)C1)c1ccccc1I ZINC000417379169 566148687 /nfs/dbraw/zinc/14/86/87/566148687.db2.gz GAZLPWQCRJERGC-QWRGUYRKSA-N 0 1 380.220 3.281 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(I)cc1)c1cccc(O)c1 ZINC000181556834 566149241 /nfs/dbraw/zinc/14/92/41/566149241.db2.gz IWUJDLDECWHTHN-LLVKDONJSA-N 0 1 396.228 3.286 20 0 GGADMN 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CCC[C@H]1SCCN1C(=O)c1cc(C(=O)N2CCS[C@H]2CCC)n[nH]1 ZINC000668807652 566268237 /nfs/dbraw/zinc/26/82/37/566268237.db2.gz HAOWKHDGTCXMFE-GASCZTMLSA-N 0 1 382.555 3.040 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCOc2ccc(Br)cc2)n[nH]1 ZINC000534992095 566268263 /nfs/dbraw/zinc/26/82/63/566268263.db2.gz CVOWLLDTXYSNQI-LLVKDONJSA-N 0 1 396.289 3.130 20 0 GGADMN CN(C)Cc1ccc(CNc2ncccc2I)cc1F ZINC000534979392 566268501 /nfs/dbraw/zinc/26/85/01/566268501.db2.gz UNDWMKANHVTABR-UHFFFAOYSA-N 0 1 385.224 3.499 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000534979780 566268821 /nfs/dbraw/zinc/26/88/21/566268821.db2.gz PYVDDMVKWZMFFG-JTQLQIEISA-N 0 1 376.404 3.128 20 0 GGADMN C[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCC1=O ZINC000535004486 566270606 /nfs/dbraw/zinc/27/06/06/566270606.db2.gz UHKUXFAKLIFCAY-NXEZZACHSA-N 0 1 377.242 3.178 20 0 GGADMN Cc1ccc(I)cc1NC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000481970723 566270985 /nfs/dbraw/zinc/27/09/85/566270985.db2.gz 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CCc1nc([C@H](C)NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)n[nH]1 ZINC000535694822 566320681 /nfs/dbraw/zinc/32/06/81/566320681.db2.gz MTPQGSHXGPMANL-QMMMGPOBSA-N 0 1 392.257 3.111 20 0 GGADMN C[N@@H+]1CCCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000625422860 566320970 /nfs/dbraw/zinc/32/09/70/566320970.db2.gz UVFJIVRSGLKKFF-LLVKDONJSA-N 0 1 384.851 3.369 20 0 GGADMN C[N@H+]1CCCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000625422860 566320977 /nfs/dbraw/zinc/32/09/77/566320977.db2.gz UVFJIVRSGLKKFF-LLVKDONJSA-N 0 1 384.851 3.369 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2c(C)cc(Br)cc2C)n[nH]1 ZINC000535706460 566321020 /nfs/dbraw/zinc/32/10/20/566321020.db2.gz ZVRCGPHCNXJWFR-LLVKDONJSA-N 0 1 380.290 3.307 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000509615617 566321321 /nfs/dbraw/zinc/32/13/21/566321321.db2.gz GVUGQNQXAYXEAP-MRXNPFEDSA-N 0 1 385.917 3.306 20 0 GGADMN O=C1C[C@H](NCc2sccc2Br)CN1CCOc1ccccc1 ZINC000462547211 566321667 /nfs/dbraw/zinc/32/16/67/566321667.db2.gz SBSOTGQEFMTQIN-ZDUSSCGKSA-N 0 1 395.322 3.280 20 0 GGADMN O=S1(=O)CC[C@@H](CCN2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000669695150 566322107 /nfs/dbraw/zinc/32/21/07/566322107.db2.gz DXBCGFZKUTXYKU-CQSZACIVSA-N 0 1 386.355 3.453 20 0 GGADMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000509630074 566323136 /nfs/dbraw/zinc/32/31/36/566323136.db2.gz ARRANUUPGNHZFO-UHFFFAOYSA-N 0 1 380.857 3.048 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)c1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000509634365 566323222 /nfs/dbraw/zinc/32/32/22/566323222.db2.gz OYQNBPWPRZULGF-GOSISDBHSA-N 0 1 381.929 3.284 20 0 GGADMN O=C1NCCN1CCN(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000576189884 566323266 /nfs/dbraw/zinc/32/32/66/566323266.db2.gz WRXLUNNQNXWVNN-UHFFFAOYSA-N 0 1 388.309 3.477 20 0 GGADMN COC(=O)CC1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000576178207 566323397 /nfs/dbraw/zinc/32/33/97/566323397.db2.gz BSFZSTDYOCIXRQ-UHFFFAOYSA-N 0 1 384.270 3.011 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C[C@H]1C ZINC000535741885 566323689 /nfs/dbraw/zinc/32/36/89/566323689.db2.gz LVEVOJOIQRFUIX-ZIAGYGMSSA-N 0 1 391.313 3.190 20 0 GGADMN C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)CN1C ZINC000509652834 566323898 /nfs/dbraw/zinc/32/38/98/566323898.db2.gz PIJNNDARRPGHOA-MNOVXSKESA-N 0 1 375.694 3.032 20 0 GGADMN C[C@H](CC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1)n1cc(Br)cn1 ZINC000648883932 566325130 /nfs/dbraw/zinc/32/51/30/566325130.db2.gz FSTWIEASMKOXIM-SNVBAGLBSA-N 0 1 391.273 3.178 20 0 GGADMN CO[C@@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1(C)C ZINC000625457563 566325216 /nfs/dbraw/zinc/32/52/16/566325216.db2.gz OCJSDRICRFBRGO-HZPDHXFCSA-N 0 1 381.314 3.449 20 0 GGADMN C[C@@H](CC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1)n1cc(Br)cn1 ZINC000648883931 566325408 /nfs/dbraw/zinc/32/54/08/566325408.db2.gz FSTWIEASMKOXIM-JTQLQIEISA-N 0 1 391.273 3.178 20 0 GGADMN CCO[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C ZINC000625457940 566325343 /nfs/dbraw/zinc/32/53/43/566325343.db2.gz CWUOUBLQLPVRGY-OAUYIBNBSA-N 0 1 381.314 3.449 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3C[C@@H](C)N(C)C[C@H]3C)cc21 ZINC000535786495 566325878 /nfs/dbraw/zinc/32/58/78/566325878.db2.gz DEEPWDPIARJYCI-GHMZBOCLSA-N 0 1 380.286 3.104 20 0 GGADMN CO[C@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1(C)C ZINC000625457561 566325902 /nfs/dbraw/zinc/32/59/02/566325902.db2.gz OCJSDRICRFBRGO-HOTGVXAUSA-N 0 1 381.314 3.449 20 0 GGADMN O=C1CSc2ccc(NS(=O)(=O)c3ccccc3OC(F)F)cc2N1 ZINC000509659997 566325919 /nfs/dbraw/zinc/32/59/19/566325919.db2.gz VZOZICURCFRXFA-UHFFFAOYSA-N 0 1 386.401 3.133 20 0 GGADMN C[C@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)CN1C ZINC000509659451 566325997 /nfs/dbraw/zinc/32/59/97/566325997.db2.gz WHKZXUYBIZDUTI-QWRGUYRKSA-N 0 1 378.826 3.107 20 0 GGADMN CC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2C)c1O ZINC000576217349 566326380 /nfs/dbraw/zinc/32/63/80/566326380.db2.gz QAVWIZISAUTZIV-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2F)s1 ZINC000482695642 566326487 /nfs/dbraw/zinc/32/64/87/566326487.db2.gz NAXYZEQNTQFSJK-UHFFFAOYSA-N 0 1 379.818 3.137 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000576235037 566326482 /nfs/dbraw/zinc/32/64/82/566326482.db2.gz KZAUKDKIYOTHBQ-CQSZACIVSA-N 0 1 392.301 3.193 20 0 GGADMN C[C@@H](c1cccs1)N(Cc1ccccc1)CC1(O)CCS(=O)(=O)CC1 ZINC000535765556 566326571 /nfs/dbraw/zinc/32/65/71/566326571.db2.gz VHRRMOZFBPUQDO-INIZCTEOSA-N 0 1 379.547 3.251 20 0 GGADMN CN1C(=O)C[C@H](NCc2ccc(Br)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000482706403 566326639 /nfs/dbraw/zinc/32/66/39/566326639.db2.gz ODVMJDWAZQJYSO-DOTOQJQBSA-N 0 1 396.235 3.184 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3C[C@@H](C)N(C)C[C@@H]3C)cc21 ZINC000535786508 566326705 /nfs/dbraw/zinc/32/67/05/566326705.db2.gz DEEPWDPIARJYCI-MNOVXSKESA-N 0 1 380.286 3.104 20 0 GGADMN CO[C@H]1CCN([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 ZINC000509662939 566326826 /nfs/dbraw/zinc/32/68/26/566326826.db2.gz AJMFKQIBVNZJBZ-HOTGVXAUSA-N 0 1 381.314 3.282 20 0 GGADMN CN1C(=O)C[C@@H](NCc2ccc(Br)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000482706406 566327298 /nfs/dbraw/zinc/32/72/98/566327298.db2.gz ODVMJDWAZQJYSO-NVXWUHKLSA-N 0 1 396.235 3.184 20 0 GGADMN C[S@](=O)C[C@H](NC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000535793357 566327508 /nfs/dbraw/zinc/32/75/08/566327508.db2.gz YNPSJIZMCCEQID-FPTDNZKUSA-N 0 1 382.279 3.004 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)c(Br)c2)C[C@@H](C)O1 ZINC000509681394 566327656 /nfs/dbraw/zinc/32/76/56/566327656.db2.gz IYWYWAIAFUFLIW-VXGBXAGGSA-N 0 1 389.721 3.332 20 0 GGADMN CCn1cc([C@@H](C)N[C@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000625462050 566327854 /nfs/dbraw/zinc/32/78/54/566327854.db2.gz LHJVONROAHMJLY-BZNIZROVSA-N 0 1 377.286 3.270 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3C[C@H](C)N(C)C[C@H]3C)cc21 ZINC000535786512 566327866 /nfs/dbraw/zinc/32/78/66/566327866.db2.gz DEEPWDPIARJYCI-WDEREUQCSA-N 0 1 380.286 3.104 20 0 GGADMN CC[C@@H](c1ccncc1)N(C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000535790078 566328368 /nfs/dbraw/zinc/32/83/68/566328368.db2.gz HMISGPWFHMGKON-INIZCTEOSA-N 0 1 387.281 3.435 20 0 GGADMN CN(CC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@H]1CCSC1 ZINC000482711337 566328688 /nfs/dbraw/zinc/32/86/88/566328688.db2.gz RIPJYCDOYLHHKL-JSGCOSHPSA-N 0 1 388.364 3.126 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NCc2cc(Cl)sc2Cl)C1 ZINC000556754092 566328855 /nfs/dbraw/zinc/32/88/55/566328855.db2.gz DDZVWTTUFBYNGX-ZJUUUORDSA-N 0 1 390.296 3.153 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CC[C@@](C)(O)C2)C1=O ZINC000509701464 566329344 /nfs/dbraw/zinc/32/93/44/566329344.db2.gz WTRNYNCZXSZDBS-CRAIPNDOSA-N 0 1 381.314 3.018 20 0 GGADMN CN(C)S(=O)(=O)CCN(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000509687939 566329829 /nfs/dbraw/zinc/32/98/29/566329829.db2.gz XLGJNYLOQFCRPN-UHFFFAOYSA-N 0 1 378.460 3.341 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000482736746 566330080 /nfs/dbraw/zinc/33/00/80/566330080.db2.gz PHWBGRMFFVRYQE-CVEARBPZSA-N 0 1 384.307 3.089 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CC[C@](C)(O)C2)C1=O ZINC000509701469 566331807 /nfs/dbraw/zinc/33/18/07/566331807.db2.gz WTRNYNCZXSZDBS-QAPCUYQASA-N 0 1 381.314 3.018 20 0 GGADMN COCC1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCCC1 ZINC000556792885 566332548 /nfs/dbraw/zinc/33/25/48/566332548.db2.gz JCDCIEFYTYWXBO-UHFFFAOYSA-N 0 1 379.258 3.380 20 0 GGADMN Cc1nc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)cn2n1 ZINC000535833191 566332507 /nfs/dbraw/zinc/33/25/07/566332507.db2.gz FXVYVUPFDYNOGR-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GGADMN O=C(NCc1nnc[nH]1)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000600324775 566332691 /nfs/dbraw/zinc/33/26/91/566332691.db2.gz PDNBSTFACDQJEF-MRXNPFEDSA-N 0 1 387.237 3.004 20 0 GGADMN Cc1nc([C@H](C)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n[nH]1 ZINC000556809905 566334484 /nfs/dbraw/zinc/33/44/84/566334484.db2.gz VHSJHPASAQPEFP-NSHDSACASA-N 0 1 392.301 3.287 20 0 GGADMN OC[C@@H](NCc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCOC1 ZINC000556816430 566334571 /nfs/dbraw/zinc/33/45/71/566334571.db2.gz DZVFZTTYZMNFKU-XJKSGUPXSA-N 0 1 397.338 3.450 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1Cl ZINC000535891205 566334995 /nfs/dbraw/zinc/33/49/95/566334995.db2.gz BYVAWJSMCHPKAI-UHFFFAOYSA-N 0 1 377.224 3.293 20 0 GGADMN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000556821860 566336066 /nfs/dbraw/zinc/33/60/66/566336066.db2.gz DRDBSILXPGLLBX-UHFFFAOYSA-N 0 1 394.316 3.032 20 0 GGADMN C[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)[N@@H+](C)Cc1ccccc1 ZINC000600416262 566336810 /nfs/dbraw/zinc/33/68/10/566336810.db2.gz MKGWPLPUXMQTCY-GFCCVEGCSA-N 0 1 391.313 3.300 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C(=O)CN[C@H](C)c1ccsc1 ZINC000669938094 566336781 /nfs/dbraw/zinc/33/67/81/566336781.db2.gz CSLHGGCYNQVUPB-CYBMUJFWSA-N 0 1 377.535 3.218 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccsc1 ZINC000669938689 566337034 /nfs/dbraw/zinc/33/70/34/566337034.db2.gz VGONZMQRAKMXLB-LBPRGKRZSA-N 0 1 399.347 3.449 20 0 GGADMN CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(F)cc2Br)cc1 ZINC000556854043 566337122 /nfs/dbraw/zinc/33/71/22/566337122.db2.gz VMEMMJSEAGJHKV-MRXNPFEDSA-N 0 1 396.256 3.320 20 0 GGADMN CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc(F)cc2Br)cc1 ZINC000556854042 566338091 /nfs/dbraw/zinc/33/80/91/566338091.db2.gz VMEMMJSEAGJHKV-INIZCTEOSA-N 0 1 396.256 3.320 20 0 GGADMN CCCN(C(=O)CSc1ncnc2sc(C)c(C)c21)[C@@H]1CCN(C)C1 ZINC000649005221 566338142 /nfs/dbraw/zinc/33/81/42/566338142.db2.gz RZFOGQWRLVGVPD-CQSZACIVSA-N 0 1 378.567 3.343 20 0 GGADMN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cc(F)c(F)cc2Br)C1 ZINC000556867784 566339282 /nfs/dbraw/zinc/33/92/82/566339282.db2.gz YZBFZIPFALQRQV-GHMZBOCLSA-N 0 1 382.270 3.173 20 0 GGADMN CC[C@H](NC(=O)c1cccc(Br)c1O)C(=O)NCc1cccs1 ZINC000649040376 566339277 /nfs/dbraw/zinc/33/92/77/566339277.db2.gz GNFNBLYHXFIWSW-ZDUSSCGKSA-N 0 1 397.294 3.041 20 0 GGADMN CN1CCN(C)[C@H](CNC(=O)c2ccccc2SCc2cccs2)C1 ZINC000600480327 566339828 /nfs/dbraw/zinc/33/98/28/566339828.db2.gz LQLSUUIJZBYHED-OAHLLOKOSA-N 0 1 375.563 3.016 20 0 GGADMN CC[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cccc(Cl)c1F ZINC000576378712 566339834 /nfs/dbraw/zinc/33/98/34/566339834.db2.gz AYSOQLCJGOYWGE-XJKSGUPXSA-N 0 1 391.940 3.181 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccccc1Cl ZINC000462679367 566340495 /nfs/dbraw/zinc/34/04/95/566340495.db2.gz RQFIBIKXFGGVTE-BEFAXECRSA-N 0 1 378.925 3.280 20 0 GGADMN Cc1c([C@H](C)NC[C@](C)(O)C2CC2)nnn1-c1cccc(Br)c1 ZINC000482899891 566341179 /nfs/dbraw/zinc/34/11/79/566341179.db2.gz ZCUHGEDLAXMNHP-GTNSWQLSSA-N 0 1 379.302 3.150 20 0 GGADMN CCC[C@H](C)C(=O)NCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000556894997 566341180 /nfs/dbraw/zinc/34/11/80/566341180.db2.gz LPOKUBFQVKWZQZ-ZDUSSCGKSA-N 0 1 393.329 3.481 20 0 GGADMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)[C@@H]1CC12CCSCC2 ZINC000576393468 566341978 /nfs/dbraw/zinc/34/19/78/566341978.db2.gz RCSQNQFGGTZSAZ-AWEZNQCLSA-N 0 1 376.913 3.317 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]=c1[n-]nc(C)n1C1CC1 ZINC000576416976 566343666 /nfs/dbraw/zinc/34/36/66/566343666.db2.gz MMXPFWZDJPSXER-UHFFFAOYSA-N 0 1 387.285 3.212 20 0 GGADMN CCOC(=O)C[C@H](O)CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000600525216 566343587 /nfs/dbraw/zinc/34/35/87/566343587.db2.gz ULCXFUULYPOLCM-NSHDSACASA-N 0 1 376.265 3.185 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(CN3CCSCC3)ccc2C)cn1 ZINC000556919791 566345412 /nfs/dbraw/zinc/34/54/12/566345412.db2.gz OJUXXQIGIFZBGO-UHFFFAOYSA-N 0 1 377.535 3.048 20 0 GGADMN COCCC1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625632245 566346213 /nfs/dbraw/zinc/34/62/13/566346213.db2.gz VWCNZKVIAJTMPS-QGZVFWFLSA-N 0 1 381.314 3.451 20 0 GGADMN FC(F)(F)[C@@H](CN[C@@H]1CCCOc2c(Cl)cccc21)N1CCOCC1 ZINC000556925667 566346991 /nfs/dbraw/zinc/34/69/91/566346991.db2.gz YENNSVUHRAVNDZ-HUUCEWRRSA-N 0 1 378.822 3.406 20 0 GGADMN Cc1nnc(SCC(=O)N2CCc3c(Br)cccc3[C@H]2C)[nH]1 ZINC000509923279 566347208 /nfs/dbraw/zinc/34/72/08/566347208.db2.gz GGZZATBXFLVGMJ-SECBINFHSA-N 0 1 381.299 3.114 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCc3c(Br)cccc3[C@H]2C)n1 ZINC000509923279 566347214 /nfs/dbraw/zinc/34/72/14/566347214.db2.gz GGZZATBXFLVGMJ-SECBINFHSA-N 0 1 381.299 3.114 20 0 GGADMN CCC(=O)N[C@H](C)C(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC000600597976 566349205 /nfs/dbraw/zinc/34/92/05/566349205.db2.gz JHPSCAQOWPVKNX-SNVBAGLBSA-N 0 1 393.285 3.255 20 0 GGADMN CC[C@@H](CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)OC ZINC000421149395 566349658 /nfs/dbraw/zinc/34/96/58/566349658.db2.gz FUSJXXUASXTIFB-LBPRGKRZSA-N 0 1 377.388 3.058 20 0 GGADMN CC[C@H](CS(=O)(=O)Nc1ccc(OC(F)F)cc1OC(F)F)OC ZINC000421151642 566350005 /nfs/dbraw/zinc/35/00/05/566350005.db2.gz JFAWPFBQOBATHP-MRVPVSSYSA-N 0 1 375.340 3.056 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2csc3ccccc32)C[C@H]1N1CCCC1 ZINC000509944765 566350841 /nfs/dbraw/zinc/35/08/41/566350841.db2.gz QNPGCNBVMRSLBC-ZBFHGGJFSA-N 0 1 382.576 3.102 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cccc3c2OCC3)cc1Cl ZINC000421159203 566351018 /nfs/dbraw/zinc/35/10/18/566351018.db2.gz 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1 383.823 3.104 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCc2ccc(Br)cc2C1 ZINC000557124256 566364497 /nfs/dbraw/zinc/36/44/97/566364497.db2.gz KHDODPNNXZVTJG-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000576623358 566364567 /nfs/dbraw/zinc/36/45/67/566364567.db2.gz MUVJLVLKGORVCN-MRXNPFEDSA-N 0 1 396.329 3.366 20 0 GGADMN O=C(CN[C@H]1CCc2c1cc(Br)cc2Cl)NCC(F)(F)F ZINC000536304318 566364856 /nfs/dbraw/zinc/36/48/56/566364856.db2.gz WMFJHFXVGQHCBI-NSHDSACASA-N 0 1 385.611 3.358 20 0 GGADMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000600778889 566365436 /nfs/dbraw/zinc/36/54/36/566365436.db2.gz GYFPIEYKFXHPNF-LLVKDONJSA-N 0 1 382.860 3.094 20 0 GGADMN COc1ccc2[nH]nc(NS(=O)(=O)Cc3ccc(Br)cc3)c2c1 ZINC000446766598 566365771 /nfs/dbraw/zinc/36/57/71/566365771.db2.gz SFXUHFJMYMUPGM-UHFFFAOYSA-N 0 1 396.266 3.276 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000649467687 566366051 /nfs/dbraw/zinc/36/60/51/566366051.db2.gz MXXKBRXFSFOWGV-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000576643950 566366024 /nfs/dbraw/zinc/36/60/24/566366024.db2.gz XDHLOIMDUKEBHW-UHFFFAOYSA-N 0 1 394.265 3.423 20 0 GGADMN CN(Cc1cccc(Br)c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000446757942 566366162 /nfs/dbraw/zinc/36/61/62/566366162.db2.gz FBTYQYQVVLVMKC-CYBMUJFWSA-N 0 1 379.220 3.434 20 0 GGADMN CC(C)CN(CC(F)(F)F)C(=O)CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000536351016 566366553 /nfs/dbraw/zinc/36/65/53/566366553.db2.gz UOQFPQIZFMWQLG-LSDHHAIUSA-N 0 1 382.492 3.020 20 0 GGADMN O=C(NCc1cc(Cl)sc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000557148751 566367214 /nfs/dbraw/zinc/36/72/14/566367214.db2.gz UAWKJFPEZWYFAU-UHFFFAOYSA-N 0 1 392.352 3.309 20 0 GGADMN Cc1cc(NS(=O)(=O)Cc2cc(Cl)ccc2F)n(-c2ccncc2)n1 ZINC000446825402 566367626 /nfs/dbraw/zinc/36/76/26/566367626.db2.gz ZNLKZCYYRQGMID-UHFFFAOYSA-N 0 1 380.832 3.310 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1F ZINC000446815253 566367789 /nfs/dbraw/zinc/36/77/89/566367789.db2.gz RYCCVBRKVXNJRZ-UHFFFAOYSA-N 0 1 386.832 3.133 20 0 GGADMN CC(C)(C)c1ncc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)cn1 ZINC000557162433 566368546 /nfs/dbraw/zinc/36/85/46/566368546.db2.gz CAVGJVGYJCAGPR-AWEZNQCLSA-N 0 1 378.270 3.452 20 0 GGADMN CN(CCCN(C)C(=O)COc1ccccc1Br)Cc1ccco1 ZINC000557162099 566368574 /nfs/dbraw/zinc/36/85/74/566368574.db2.gz KRMFMCDSVNQQGY-UHFFFAOYSA-N 0 1 395.297 3.401 20 0 GGADMN OC1(CCCNCc2c(Br)cncc2Br)CCC1 ZINC000421372548 566368532 /nfs/dbraw/zinc/36/85/32/566368532.db2.gz DGRKYOODNBTPJD-UHFFFAOYSA-N 0 1 378.108 3.391 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000557152033 566369001 /nfs/dbraw/zinc/36/90/01/566369001.db2.gz PARSFBAEWWQGRT-HLLBOEOZSA-N 0 1 397.357 3.195 20 0 GGADMN CN(CC(=O)NCc1ccc(Cl)cc1I)C1CCC1 ZINC000600825051 566369582 /nfs/dbraw/zinc/36/95/82/566369582.db2.gz GTDOHVWWVPAFKL-UHFFFAOYSA-N 0 1 392.668 3.045 20 0 GGADMN CN(CC(=O)NCc1ccc(I)c(Cl)c1)C1CCC1 ZINC000600825125 566369838 /nfs/dbraw/zinc/36/98/38/566369838.db2.gz KDGYWTRHNUFPLJ-UHFFFAOYSA-N 0 1 392.668 3.045 20 0 GGADMN OCC[C@H]1CCCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000421392111 566370413 /nfs/dbraw/zinc/37/04/13/566370413.db2.gz BPROTYLJVJLKSP-AWEZNQCLSA-N 0 1 379.302 3.014 20 0 GGADMN COc1cc(F)c(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)cc1OC ZINC000510219521 566370480 /nfs/dbraw/zinc/37/04/80/566370480.db2.gz DYOYSEUQWLRGAH-UHFFFAOYSA-N 0 1 385.379 3.386 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)Nc2cn[nH]c2)c(Br)c1 ZINC000536421699 566370968 /nfs/dbraw/zinc/37/09/68/566370968.db2.gz SUYJAURBDWAZCL-UHFFFAOYSA-N 0 1 395.076 3.044 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cs1 ZINC000536414490 566371234 /nfs/dbraw/zinc/37/12/34/566371234.db2.gz MANZTUXCKFDPNY-UHFFFAOYSA-N 0 1 393.437 3.126 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C)c1cccs1 ZINC000510225163 566371338 /nfs/dbraw/zinc/37/13/38/566371338.db2.gz WSMLVLIEPSPWEJ-ZDUSSCGKSA-N 0 1 393.408 3.268 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000536420515 566371581 /nfs/dbraw/zinc/37/15/81/566371581.db2.gz QFWXZVKLOZHFTD-UHFFFAOYSA-N 0 1 382.507 3.161 20 0 GGADMN CO[C@H](CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1)C(F)(F)F ZINC000649555486 566372060 /nfs/dbraw/zinc/37/20/60/566372060.db2.gz JDSZXGBCEVECQS-SECBINFHSA-N 0 1 393.163 3.140 20 0 GGADMN COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000557206912 566372064 /nfs/dbraw/zinc/37/20/64/566372064.db2.gz NDJVRSDFQYZFAC-INIZCTEOSA-N 0 1 393.281 3.196 20 0 GGADMN O=c1ccc([C@@H]2OCC[C@H]2NCc2nc3cc(Br)ccc3[nH]2)c[nH]1 ZINC000625991849 566372421 /nfs/dbraw/zinc/37/24/21/566372421.db2.gz JTZBHHGOTXHDNX-DYVFJYSZSA-N 0 1 389.253 3.046 20 0 GGADMN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000625976615 566372697 /nfs/dbraw/zinc/37/26/97/566372697.db2.gz JWUNNWIHWLCPDM-UHFFFAOYSA-N 0 1 376.806 3.296 20 0 GGADMN CC1(C)CN(CCOc2cccc(Br)c2)C[C@@]2(CCCOC2)O1 ZINC000483347497 566374808 /nfs/dbraw/zinc/37/48/08/566374808.db2.gz ALTKGZDZOLIMHC-GOSISDBHSA-N 0 1 384.314 3.488 20 0 GGADMN CC(C)NC(=O)CCCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000536459222 566374936 /nfs/dbraw/zinc/37/49/36/566374936.db2.gz NRGIFWRIJNTQRX-UHFFFAOYSA-N 0 1 377.666 3.442 20 0 GGADMN COc1cc2c(cc1CNc1nc3ccc(Br)cc3[nH]1)OCO2 ZINC000446962846 566374987 /nfs/dbraw/zinc/37/49/87/566374987.db2.gz QDVMULOQEUKGKN-UHFFFAOYSA-N 0 1 376.210 3.097 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H](C)N(C)Cc2ccccc2)c(Cl)c1 ZINC000576735280 566374937 /nfs/dbraw/zinc/37/49/37/566374937.db2.gz SAALFBFCLPQLDK-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN Cc1n[nH]cc1CN[C@H]1CCCOc2ccc(I)cc21 ZINC000557269079 566376316 /nfs/dbraw/zinc/37/63/16/566376316.db2.gz VAELHQMXIFKDQE-AWEZNQCLSA-N 0 1 383.233 3.326 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc(Br)c(Cl)s1 ZINC000483356075 566376460 /nfs/dbraw/zinc/37/64/60/566376460.db2.gz IYPWFHWCXNIHKE-SNVBAGLBSA-N 0 1 381.767 3.441 20 0 GGADMN C[C@H]1CN(Cc2cc(Br)c(Cl)s2)CCN1CC(C)(C)O ZINC000483359826 566376576 /nfs/dbraw/zinc/37/65/76/566376576.db2.gz SFNYKXMIIYAWCF-JTQLQIEISA-N 0 1 381.767 3.441 20 0 GGADMN CCC[C@@H](NC(=O)c1cc2cc(Br)ccc2s1)c1nn[nH]n1 ZINC000626024725 566376803 /nfs/dbraw/zinc/37/68/03/566376803.db2.gz SZJBSCHGFHXGPN-SNVBAGLBSA-N 0 1 380.271 3.448 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H]2CCc3c2cccc3Br)n[nH]1 ZINC000536483178 566377474 /nfs/dbraw/zinc/37/74/74/566377474.db2.gz UDWRFNYDKVZLBX-RNCFNFMXSA-N 0 1 378.274 3.177 20 0 GGADMN CCS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000649595808 566377405 /nfs/dbraw/zinc/37/74/05/566377405.db2.gz OJEPTCYSRKGKHZ-UHFFFAOYSA-N 0 1 389.445 3.360 20 0 GGADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000510360953 566377622 /nfs/dbraw/zinc/37/76/22/566377622.db2.gz ASVZHYDSIRWJAF-HZMBPMFUSA-N 0 1 376.400 3.105 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000510360954 566377679 /nfs/dbraw/zinc/37/76/79/566377679.db2.gz ASVZHYDSIRWJAF-IINYFYTJSA-N 0 1 376.400 3.105 20 0 GGADMN O=C(c1cccc2cccc(Br)c21)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000576774368 566378157 /nfs/dbraw/zinc/37/81/57/566378157.db2.gz LLPGUQJYRBCWPN-LBPRGKRZSA-N 0 1 386.253 3.135 20 0 GGADMN OC[C@@]1(c2ccccc2)CCN(Cc2cccc(I)c2)C1 ZINC000463031894 566378750 /nfs/dbraw/zinc/37/87/50/566378750.db2.gz WNJXAQSQCIHUSE-GOSISDBHSA-N 0 1 393.268 3.427 20 0 GGADMN OC[C@@]1(c2ccccc2)CCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000463042652 566378909 /nfs/dbraw/zinc/37/89/09/566378909.db2.gz KTGDHCCVQDYLOF-LJQANCHMSA-N 0 1 390.277 3.314 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCC(C)(C)c2ccc(Br)cc2)n[nH]1 ZINC000536518041 566379386 /nfs/dbraw/zinc/37/93/86/566379386.db2.gz BYMQMMBPADERLJ-NSHDSACASA-N 0 1 394.317 3.468 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCOc2cccc(Br)c2)n[nH]1 ZINC000536512562 566379553 /nfs/dbraw/zinc/37/95/53/566379553.db2.gz ANFVTQRKKRMZJY-LLVKDONJSA-N 0 1 396.289 3.130 20 0 GGADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccco1 ZINC000510391402 566379788 /nfs/dbraw/zinc/37/97/88/566379788.db2.gz BFWKPCLKUHSJEP-WFASDCNBSA-N 0 1 386.901 3.349 20 0 GGADMN CCn1cc(Br)cc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000536525425 566381434 /nfs/dbraw/zinc/38/14/34/566381434.db2.gz ITRLGYGYFQYQKV-UHFFFAOYSA-N 0 1 382.277 3.401 20 0 GGADMN CS[C@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1N1CCCC1 ZINC000483418379 566382188 /nfs/dbraw/zinc/38/21/88/566382188.db2.gz ZBVIQQGWGZDTKU-RISCZKNCSA-N 0 1 396.607 3.076 20 0 GGADMN CC(C)n1cc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447067849 566382493 /nfs/dbraw/zinc/38/24/93/566382493.db2.gz MGVGMTCGKCBKLO-MRXNPFEDSA-N 0 1 377.286 3.122 20 0 GGADMN COC(=O)CCN(Cc1c(C)n[nH]c1C)Cc1cccc(Br)c1 ZINC000483438956 566383653 /nfs/dbraw/zinc/38/36/53/566383653.db2.gz LASWRPCMCOCCPZ-UHFFFAOYSA-N 0 1 380.286 3.354 20 0 GGADMN CCO[C@H](C)c1ncc(C(=O)NCC2(N3CCSCC3)CCCC2)s1 ZINC000463107735 566383979 /nfs/dbraw/zinc/38/39/79/566383979.db2.gz NBSRBKLCRTZOGM-CQSZACIVSA-N 0 1 383.583 3.332 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1SCCc2ccccc21 ZINC000463112695 566384169 /nfs/dbraw/zinc/38/41/69/566384169.db2.gz VQCWNWAYGYKICU-GOSISDBHSA-N 0 1 376.591 3.495 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000510467246 566384798 /nfs/dbraw/zinc/38/47/98/566384798.db2.gz IXUOLCZXNOWEKD-WCQYABFASA-N 0 1 380.407 3.092 20 0 GGADMN O=C(CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1)NCc1ccc(F)cc1 ZINC000626100886 566384905 /nfs/dbraw/zinc/38/49/05/566384905.db2.gz BECFPTVDMRJKBT-KRWDZBQOSA-N 0 1 385.266 3.462 20 0 GGADMN COCC[C@]1(NCc2nc(-c3cccc(Br)c3)c[nH]2)CCOC1 ZINC000447090569 566386421 /nfs/dbraw/zinc/38/64/21/566386421.db2.gz LVCMKABFLKXUEA-KRWDZBQOSA-N 0 1 380.286 3.124 20 0 GGADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ccccc1OC(F)F ZINC000510485559 566386329 /nfs/dbraw/zinc/38/63/29/566386329.db2.gz NNCYQDJXCCPELC-UHFFFAOYSA-N 0 1 376.469 3.175 20 0 GGADMN COc1ccsc1CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447100490 566386570 /nfs/dbraw/zinc/38/65/70/566386570.db2.gz MPLFKXFAHQDEEF-CYBMUJFWSA-N 0 1 381.295 3.414 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000510501142 566387893 /nfs/dbraw/zinc/38/78/93/566387893.db2.gz IFUFJYIYHBDKPH-CMPLNLGQSA-N 0 1 393.372 3.066 20 0 GGADMN CCCNc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000626132930 566387913 /nfs/dbraw/zinc/38/79/13/566387913.db2.gz CVQZNQYLNDARKM-UHFFFAOYSA-N 0 1 382.873 3.181 20 0 GGADMN CC[C@@](NS(=O)(=O)c1ccccc1F)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510491363 566388044 /nfs/dbraw/zinc/38/80/44/566388044.db2.gz UOYGBKFDHDREPN-KRWDZBQOSA-N 0 1 385.844 3.236 20 0 GGADMN CC[C@](NS(=O)(=O)c1ccccc1F)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510491365 566388269 /nfs/dbraw/zinc/38/82/69/566388269.db2.gz UOYGBKFDHDREPN-QGZVFWFLSA-N 0 1 385.844 3.236 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000510501145 566388523 /nfs/dbraw/zinc/38/85/23/566388523.db2.gz IFUFJYIYHBDKPH-ZYHUDNBSSA-N 0 1 393.372 3.066 20 0 GGADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000576888463 566388595 /nfs/dbraw/zinc/38/85/95/566388595.db2.gz NQQDTGTUIBTWSF-HIFRSBDPSA-N 0 1 387.261 3.409 20 0 GGADMN C[C@H](NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1Cl ZINC000670924028 566388729 /nfs/dbraw/zinc/38/87/29/566388729.db2.gz MJQABBZBHDRJSZ-XPTSAGLGSA-N 0 1 381.263 3.088 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2ccc([C@H]3C[C@H]3C)o2)sc1Br ZINC000536656332 566390098 /nfs/dbraw/zinc/39/00/98/566390098.db2.gz WNOVDLHEUUVKFX-XCBNKYQSSA-N 0 1 391.312 3.409 20 0 GGADMN C[C@@H]1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C[C@H](C)S1 ZINC000536655535 566390147 /nfs/dbraw/zinc/39/01/47/566390147.db2.gz ULKDOIBGXDRSTF-IYBDPMFKSA-N 0 1 384.973 3.377 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000447156824 566390712 /nfs/dbraw/zinc/39/07/12/566390712.db2.gz LIDVYWWVIBLJDX-UHFFFAOYSA-N 0 1 377.293 3.339 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)sc1Br ZINC000536656330 566390886 /nfs/dbraw/zinc/39/08/86/566390886.db2.gz WNOVDLHEUUVKFX-GMSGAONNSA-N 0 1 391.312 3.409 20 0 GGADMN O=C([C@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1)N1CCCC1 ZINC000463198739 566390950 /nfs/dbraw/zinc/39/09/50/566390950.db2.gz FFLMTGMKKBKICG-LBPRGKRZSA-N 0 1 378.270 3.035 20 0 GGADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1sccc1Cl ZINC000557512182 566391792 /nfs/dbraw/zinc/39/17/92/566391792.db2.gz FDFVFGLJRMJCNV-UHFFFAOYSA-N 0 1 377.941 3.291 20 0 GGADMN C[C@H](CN[C@@H](c1nnc[nH]1)c1cccnc1)Oc1ccccc1Br ZINC000576933684 566391681 /nfs/dbraw/zinc/39/16/81/566391681.db2.gz PTPHXRRESXEFQC-MLGOLLRUSA-N 0 1 388.269 3.109 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000447168340 566392274 /nfs/dbraw/zinc/39/22/74/566392274.db2.gz RQOBNQHLQLYPKF-UHFFFAOYSA-N 0 1 377.293 3.339 20 0 GGADMN CC[C@@](NS(=O)(=O)c1cc(F)ccc1Cl)(C(=O)OC)c1ccccc1 ZINC000510555832 566394234 /nfs/dbraw/zinc/39/42/34/566394234.db2.gz WAKPSOVFPGQXPL-KRWDZBQOSA-N 0 1 385.844 3.236 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)sc1Br ZINC000536684246 566394647 /nfs/dbraw/zinc/39/46/47/566394647.db2.gz PPSQOFPRNNHTLH-YNEHKIRRSA-N 0 1 399.335 3.221 20 0 GGADMN CC[C@](NS(=O)(=O)c1cc(F)ccc1Cl)(C(=O)OC)c1ccccc1 ZINC000510555833 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C[C@H](CN(C)C(=O)c1cc2cc(Br)ccc2s1)c1nn[nH]n1 ZINC000626443854 566411659 /nfs/dbraw/zinc/41/16/59/566411659.db2.gz XZRUGYUJVCIIQW-MRVPVSSYSA-N 0 1 380.271 3.053 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1Cl ZINC000510776244 566411796 /nfs/dbraw/zinc/41/17/96/566411796.db2.gz BZXBCQMCJDIJBM-UONOGXRCSA-N 0 1 395.750 3.053 20 0 GGADMN COc1cc(Cl)ccc1[C@H](C)NCCN(C)S(=O)(=O)c1cccs1 ZINC000421837449 566412193 /nfs/dbraw/zinc/41/21/93/566412193.db2.gz QWGPLGBKXXGVBZ-LBPRGKRZSA-N 0 1 388.942 3.381 20 0 GGADMN FC(F)(F)Cn1cc(CNCc2ccc(I)cc2)cn1 ZINC000577183583 566412399 /nfs/dbraw/zinc/41/23/99/566412399.db2.gz KBCBJOSXWNXYHJ-UHFFFAOYSA-N 0 1 395.166 3.340 20 0 GGADMN COCC[C@@H](NCC(=O)Nc1nncs1)c1ccc(Cl)c(Cl)c1 ZINC000671247450 566413334 /nfs/dbraw/zinc/41/33/34/566413334.db2.gz HUZHMVFCWNRYIV-GFCCVEGCSA-N 0 1 375.281 3.151 20 0 GGADMN CCN(CCN(Cc1ccccc1)S(C)(=O)=O)[C@H](C)Cc1ccsc1 ZINC000484023717 566413526 /nfs/dbraw/zinc/41/35/26/566413526.db2.gz RSKAZMFTVOOXFC-QGZVFWFLSA-N 0 1 380.579 3.463 20 0 GGADMN COC(=O)c1coc([C@@H](C)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000447540489 566413749 /nfs/dbraw/zinc/41/37/49/566413749.db2.gz JGPIOOFERBMWRS-ZYHUDNBSSA-N 0 1 388.247 3.464 20 0 GGADMN COc1cccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1O ZINC000484033426 566413704 /nfs/dbraw/zinc/41/37/04/566413704.db2.gz JTOUNXVXYURNNW-UHFFFAOYSA-N 0 1 377.340 3.143 20 0 GGADMN COC(=O)c1coc([C@@H](C)NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000447540487 566414099 /nfs/dbraw/zinc/41/40/99/566414099.db2.gz JGPIOOFERBMWRS-PWSUYJOCSA-N 0 1 388.247 3.464 20 0 GGADMN COCC(=O)NC1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671304854 566414253 /nfs/dbraw/zinc/41/42/53/566414253.db2.gz QZADBMLCBHGWHF-UHFFFAOYSA-N 0 1 379.913 3.191 20 0 GGADMN CS(=O)(=O)CC[C@H](C(=O)Nc1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000447526315 566414274 /nfs/dbraw/zinc/41/42/74/566414274.db2.gz CPTRFCFLOWVLCM-ZDUSSCGKSA-N 0 1 385.844 3.342 20 0 GGADMN O[C@H]1CCC[C@@H]1N1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671305756 566414676 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CCNC(=O)C[C@H]1CCCCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000671310075 566416567 /nfs/dbraw/zinc/41/65/67/566416567.db2.gz SATWTKJKVMRCOC-CQSZACIVSA-N 0 1 397.313 3.101 20 0 GGADMN CCn1cc([C@@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447559200 566416559 /nfs/dbraw/zinc/41/65/59/566416559.db2.gz SIEYLKKLOYIQJY-WBMJQRKESA-N 0 1 377.286 3.122 20 0 GGADMN Cc1ccc([C@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000537028477 566418150 /nfs/dbraw/zinc/41/81/50/566418150.db2.gz AJJUOWQHMOKIHO-ZDUSSCGKSA-N 0 1 380.897 3.341 20 0 GGADMN C[C@@H](N[C@H]1CCc2c1cccc2Br)c1cccc(S(N)(=O)=O)c1 ZINC000537014302 566418459 /nfs/dbraw/zinc/41/84/59/566418459.db2.gz JLQMWYJGRBILEY-DIFFPNOSSA-N 0 1 395.322 3.435 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000463575524 566418599 /nfs/dbraw/zinc/41/85/99/566418599.db2.gz GBVWPWCMHQYJPI-UHFFFAOYSA-N 0 1 395.341 3.332 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447646599 566420245 /nfs/dbraw/zinc/42/02/45/566420245.db2.gz SOSAUGQXWZKUFU-NXEZZACHSA-N 0 1 382.835 3.262 20 0 GGADMN Cc1cc2c(o1)c(C(=O)NC1(c3nnc[nH]3)CCC1)ccc2Br ZINC000557806339 566420260 /nfs/dbraw/zinc/42/02/60/566420260.db2.gz FXYKCJLEFCWBPE-UHFFFAOYSA-N 0 1 375.226 3.431 20 0 GGADMN Cc1nc(C)c([C@H](C)NCCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000510930131 566421235 /nfs/dbraw/zinc/42/12/35/566421235.db2.gz QXQWIMAUHDPHTJ-VIFPVBQESA-N 0 1 391.921 3.182 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447646601 566421586 /nfs/dbraw/zinc/42/15/86/566421586.db2.gz SOSAUGQXWZKUFU-VHSXEESVSA-N 0 1 382.835 3.262 20 0 GGADMN COc1ccc(CCNS(=O)(=O)c2c(Cl)ccc(F)c2F)c(OC)c1 ZINC000557812078 566421966 /nfs/dbraw/zinc/42/19/66/566421966.db2.gz LIVQMDRMZDXMMO-UHFFFAOYSA-N 0 1 391.823 3.156 20 0 GGADMN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccccc1I ZINC000510943554 566422428 /nfs/dbraw/zinc/42/24/28/566422428.db2.gz HEPVEDBYKOLGRK-NILFDRSVSA-N 0 1 384.261 3.095 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1Br ZINC000577312856 566422599 /nfs/dbraw/zinc/42/25/99/566422599.db2.gz VJGLAFMJXSREHO-UHFFFAOYSA-N 0 1 383.223 3.405 20 0 GGADMN COc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510957656 566422637 /nfs/dbraw/zinc/42/26/37/566422637.db2.gz ILFACIBOROJXKK-SNVBAGLBSA-N 0 1 392.905 3.178 20 0 GGADMN CCN(CC(=O)N1CCC(Nc2cccc(Br)c2)CC1)C1CC1 ZINC000447690043 566423278 /nfs/dbraw/zinc/42/32/78/566423278.db2.gz AQCGGIQHWWMJJK-UHFFFAOYSA-N 0 1 380.330 3.336 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1C[C@@H](O)Cc2ccccc21 ZINC000447712675 566425220 /nfs/dbraw/zinc/42/52/20/566425220.db2.gz GFQYGXHQWUUEFT-HNNXBMFYSA-N 0 1 398.260 3.403 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000671505443 566425797 /nfs/dbraw/zinc/42/57/97/566425797.db2.gz IGCTZCJNMONZMS-OLZOCXBDSA-N 0 1 386.323 3.148 20 0 GGADMN CCN(C1CCN(CCCc2c(F)cccc2Cl)CC1)S(C)(=O)=O ZINC000447743547 566426836 /nfs/dbraw/zinc/42/68/36/566426836.db2.gz HKPYOYFIRXOPGZ-UHFFFAOYSA-N 0 1 376.925 3.158 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000626583213 566426927 /nfs/dbraw/zinc/42/69/27/566426927.db2.gz WDZMPODUNFAFRT-AEGPPILISA-N 0 1 385.335 3.401 20 0 GGADMN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Cl)c1O ZINC000537152149 566427060 /nfs/dbraw/zinc/42/70/60/566427060.db2.gz DZQLFHQXVMOBHJ-UHFFFAOYSA-N 0 1 383.853 3.489 20 0 GGADMN COc1cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc(OC)c1Br ZINC000650146580 566427520 /nfs/dbraw/zinc/42/75/20/566427520.db2.gz FIHCCBYZRWLWAO-GRYCIOLGSA-N 0 1 385.302 3.019 20 0 GGADMN COc1cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc(Br)c1OC ZINC000650155473 566427696 /nfs/dbraw/zinc/42/76/96/566427696.db2.gz BBUPUPVZYSMGRD-GRYCIOLGSA-N 0 1 385.302 3.019 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)C[C@H]1CCCN1C ZINC000422041638 566427822 /nfs/dbraw/zinc/42/78/22/566427822.db2.gz UQGAMMVTSALHDN-XJKSGUPXSA-N 0 1 381.314 3.211 20 0 GGADMN COc1cc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc(Br)c1OC ZINC000650155474 566428118 /nfs/dbraw/zinc/42/81/18/566428118.db2.gz BBUPUPVZYSMGRD-IJLUTSLNSA-N 0 1 385.302 3.019 20 0 GGADMN COc1cc(Br)c(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1OC ZINC000650155432 566428231 /nfs/dbraw/zinc/42/82/31/566428231.db2.gz ADMWQVSAKZARLJ-GRYCIOLGSA-N 0 1 385.302 3.019 20 0 GGADMN COc1cc(Br)c(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)cc1OC ZINC000650155435 566428564 /nfs/dbraw/zinc/42/85/64/566428564.db2.gz ADMWQVSAKZARLJ-WOPDTQHZSA-N 0 1 385.302 3.019 20 0 GGADMN Cn1cnc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC000537181957 566429020 /nfs/dbraw/zinc/42/90/20/566429020.db2.gz SQHMCTPYZNJGOI-LLVKDONJSA-N 0 1 387.305 3.021 20 0 GGADMN Cn1cnc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC000537181958 566429126 /nfs/dbraw/zinc/42/91/26/566429126.db2.gz SQHMCTPYZNJGOI-NSHDSACASA-N 0 1 387.305 3.021 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1OC ZINC000447779848 566429131 /nfs/dbraw/zinc/42/91/31/566429131.db2.gz WCLLLFRMHGZZLU-UHFFFAOYSA-N 0 1 386.857 3.340 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Cc1cccc(Br)c1)N1CCOCC1 ZINC000511036072 566429365 /nfs/dbraw/zinc/42/93/65/566429365.db2.gz ZVCDOSILJDUOQS-SFHVURJKSA-N 0 1 397.357 3.245 20 0 GGADMN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)sc1Br ZINC000557854498 566429604 /nfs/dbraw/zinc/42/96/04/566429604.db2.gz XVAZDXJVYQWZPC-VXGBXAGGSA-N 0 1 393.372 3.066 20 0 GGADMN COCCOc1cc(NC(=O)c2ccc(Br)c(O)c2)ccc1OC ZINC000484425408 566429512 /nfs/dbraw/zinc/42/95/12/566429512.db2.gz NXIQNGNTOAZCMD-UHFFFAOYSA-N 0 1 396.237 3.441 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(SC)ccc1C ZINC000537194936 566430904 /nfs/dbraw/zinc/43/09/04/566430904.db2.gz QMMYNJIIBJSTIK-UHFFFAOYSA-N 0 1 380.491 3.485 20 0 GGADMN CCOC(=O)CC(=O)[C@H](C)Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000601916005 566430958 /nfs/dbraw/zinc/43/09/58/566430958.db2.gz HUVKQMJLXAOMDY-VIFPVBQESA-N 0 1 383.857 3.137 20 0 GGADMN COC(=O)[C@@H](C)N(CCC(=O)Nc1cccc(Br)c1)C1CCC1 ZINC000484467718 566431265 /nfs/dbraw/zinc/43/12/65/566431265.db2.gz AVQBZHVGVHXJLF-GFCCVEGCSA-N 0 1 383.286 3.194 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)cc1F ZINC000447795507 566431764 /nfs/dbraw/zinc/43/17/64/566431764.db2.gz ONNHFALCXWLFRB-UHFFFAOYSA-N 0 1 375.805 3.306 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)N=c1cc(-c2ccc(C)o2)[nH][nH]1 ZINC000447799261 566432602 /nfs/dbraw/zinc/43/26/02/566432602.db2.gz HBFYRSWFVXIOMA-UHFFFAOYSA-N 0 1 391.225 3.127 20 0 GGADMN Cn1ccnc1[C@H](NCCOc1ccc(I)cc1)C1CC1 ZINC000511049562 566432677 /nfs/dbraw/zinc/43/26/77/566432677.db2.gz MFKZHMJKZCIMIS-OAHLLOKOSA-N 0 1 397.260 3.144 20 0 GGADMN O=C([O-])C1(C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)CC1 ZINC000577411180 566432645 /nfs/dbraw/zinc/43/26/45/566432645.db2.gz HKITVIVDJQJTGN-CYBMUJFWSA-N 0 1 385.245 3.020 20 0 GGADMN COCc1ccccc1S(=O)(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000484485005 566432797 /nfs/dbraw/zinc/43/27/97/566432797.db2.gz HATGBRLGEAPGDV-UHFFFAOYSA-N 0 1 381.475 3.127 20 0 GGADMN CCc1cccnc1[C@H](C)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000511054252 566432824 /nfs/dbraw/zinc/43/28/24/566432824.db2.gz JYCUFYZBPSEOGV-LBPRGKRZSA-N 0 1 385.892 3.066 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cccc3c2oc(=O)n3C)cc1Cl ZINC000463783423 566433386 /nfs/dbraw/zinc/43/33/86/566433386.db2.gz QBKDYYNLJPOTTA-UHFFFAOYSA-N 0 1 384.866 3.308 20 0 GGADMN CSc1ccc(NC(=O)NCCN2CCCOCC2)cc1Br ZINC000626646421 566433822 /nfs/dbraw/zinc/43/38/22/566433822.db2.gz QPUAWQVZWISLCR-UHFFFAOYSA-N 0 1 388.331 3.015 20 0 GGADMN CCOC(=O)CCc1c(C)[nH]n(Cc2cc(OC)ccc2Br)c1=O ZINC000601955479 566434703 /nfs/dbraw/zinc/43/47/03/566434703.db2.gz HZXJQDLVSDSEEB-CQSZACIVSA-N 0 1 397.269 3.135 20 0 GGADMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(OC)cc2Cl)c1 ZINC000577436640 566434908 /nfs/dbraw/zinc/43/49/08/566434908.db2.gz LPLCLKRBJYHKBY-UHFFFAOYSA-N 0 1 383.853 3.255 20 0 GGADMN CS[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@@H]1N(C)C ZINC000537283544 566435436 /nfs/dbraw/zinc/43/54/36/566435436.db2.gz YZTVQXBCXMECFP-VVYDWRJNSA-N 0 1 381.394 3.078 20 0 GGADMN COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000671668731 566435754 /nfs/dbraw/zinc/43/57/54/566435754.db2.gz NBVKHQZCGXDAQD-UHFFFAOYSA-N 0 1 382.913 3.395 20 0 GGADMN CS[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1N(C)C ZINC000537283543 566435905 /nfs/dbraw/zinc/43/59/05/566435905.db2.gz YZTVQXBCXMECFP-SOHPYSCWSA-N 0 1 381.394 3.078 20 0 GGADMN CCN1CCCC[C@@H]1CNC(=O)c1sc(C)c(Br)c1OC ZINC000463829111 566436214 /nfs/dbraw/zinc/43/62/14/566436214.db2.gz UYMTXOIFWPFERY-LLVKDONJSA-N 0 1 375.332 3.432 20 0 GGADMN C[C@@H](c1ccccc1Br)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511083348 566436325 /nfs/dbraw/zinc/43/63/25/566436325.db2.gz YFEQBSVLCMBBKP-KBPBESRZSA-N 0 1 389.359 3.114 20 0 GGADMN C[C@@H](c1ccccc1Br)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511083350 566436388 /nfs/dbraw/zinc/43/63/88/566436388.db2.gz YFEQBSVLCMBBKP-UONOGXRCSA-N 0 1 389.359 3.114 20 0 GGADMN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1cc(Cl)c(O)cc1F ZINC000557946623 566436798 /nfs/dbraw/zinc/43/67/98/566436798.db2.gz BXAMQWZQJFFHMO-UHFFFAOYSA-N 0 1 399.856 3.126 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000447848350 566436909 /nfs/dbraw/zinc/43/69/09/566436909.db2.gz BYAOUTGHHPJFLN-OCCSQVGLSA-N 0 1 389.359 3.094 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)CC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000671686795 566438739 /nfs/dbraw/zinc/43/87/39/566438739.db2.gz ZHVFRSSHNZSGDK-QZTJIDSGSA-N 0 1 388.961 3.211 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000650217769 566438823 /nfs/dbraw/zinc/43/88/23/566438823.db2.gz WSIFYWRVVPNRFH-UHFFFAOYSA-N 0 1 387.841 3.175 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cc(Cl)c(Br)cc1F ZINC000626664680 566439065 /nfs/dbraw/zinc/43/90/65/566439065.db2.gz DAHAIUDRQZEATR-UHFFFAOYSA-N 0 1 376.617 3.114 20 0 GGADMN CCO[C@H]1COCC[C@H]1NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000484613600 566440077 /nfs/dbraw/zinc/44/00/77/566440077.db2.gz ISVJKPPSFCEYQQ-OCCSQVGLSA-N 0 1 381.687 3.369 20 0 GGADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1OC)c1ccco1 ZINC000671692043 566440199 /nfs/dbraw/zinc/44/01/99/566440199.db2.gz FEKMBJKYFVHCGB-JSGCOSHPSA-N 0 1 386.901 3.349 20 0 GGADMN CN(C[C@@H]1CCCN(CCc2cccc(Cl)c2Cl)C1)S(C)(=O)=O ZINC000511135086 566440148 /nfs/dbraw/zinc/44/01/48/566440148.db2.gz CZGVAYCCNUEYJX-ZDUSSCGKSA-N 0 1 379.353 3.139 20 0 GGADMN CC[C@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000422207073 566440363 /nfs/dbraw/zinc/44/03/63/566440363.db2.gz KWVHIDDRZZARHQ-QWRGUYRKSA-N 0 1 381.274 3.082 20 0 GGADMN CC[C@@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000422207075 566441102 /nfs/dbraw/zinc/44/11/02/566441102.db2.gz KWVHIDDRZZARHQ-WDEREUQCSA-N 0 1 381.274 3.082 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc(CO)c2)s1 ZINC000537359049 566441124 /nfs/dbraw/zinc/44/11/24/566441124.db2.gz WJHBDHWZUGJFFA-CQSZACIVSA-N 0 1 382.551 3.122 20 0 GGADMN CCO[C@@H]1COCC[C@@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000484623170 566441805 /nfs/dbraw/zinc/44/18/05/566441805.db2.gz XRUNFVWTGURXIA-JKSUJKDBSA-N 0 1 381.270 3.388 20 0 GGADMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000484632794 566441878 /nfs/dbraw/zinc/44/18/78/566441878.db2.gz BLPQYIJTNPCEIQ-ZIAGYGMSSA-N 0 1 380.794 3.081 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000463966183 566442098 /nfs/dbraw/zinc/44/20/98/566442098.db2.gz STJWYXVMVOYIPT-LBPRGKRZSA-N 0 1 395.301 3.180 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000577522887 566442286 /nfs/dbraw/zinc/44/22/86/566442286.db2.gz BOKVHBPGYYERQV-DLBZAZTESA-N 0 1 382.298 3.366 20 0 GGADMN COc1cc(C)sc1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000511165878 566442338 /nfs/dbraw/zinc/44/23/38/566442338.db2.gz BGZPIBLIRDMWRP-UHFFFAOYSA-N 0 1 376.869 3.476 20 0 GGADMN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)sc1Br ZINC000558025122 566443077 /nfs/dbraw/zinc/44/30/77/566443077.db2.gz IPBTYGJCUPPFTC-SDDRHHMPSA-N 0 1 387.343 3.322 20 0 GGADMN CC[C@H]1CO[C@H](C)CN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000464026233 566443453 /nfs/dbraw/zinc/44/34/53/566443453.db2.gz QSXYKAMUYGOPKQ-YPMHNXCESA-N 0 1 378.270 3.479 20 0 GGADMN CCO[C@H]1COCC[C@@H]1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000484638768 566443717 /nfs/dbraw/zinc/44/37/17/566443717.db2.gz FNAYVENUMTYWRF-JSGCOSHPSA-N 0 1 380.794 3.081 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H]2CCSC2)CC1 ZINC000447909617 566445545 /nfs/dbraw/zinc/44/55/45/566445545.db2.gz BUQJOUDROIAKGX-CQSZACIVSA-N 0 1 382.961 3.357 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)c(Br)c1 ZINC000671716963 566446115 /nfs/dbraw/zinc/44/61/15/566446115.db2.gz YMUJRCNFCJGKPJ-OAHLLOKOSA-N 0 1 381.314 3.338 20 0 GGADMN Cc1cc([C@H](C)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)sc1Br ZINC000671716402 566446253 /nfs/dbraw/zinc/44/62/53/566446253.db2.gz SIMMCLCIJTWDHJ-GVXVVHGQSA-N 0 1 397.342 3.397 20 0 GGADMN CC(C)(C)c1nc(CS(=O)(=O)Cc2csc(-c3ccsc3)n2)n[nH]1 ZINC000577570481 566446490 /nfs/dbraw/zinc/44/64/90/566446490.db2.gz MVSPNPZUUXAFIL-UHFFFAOYSA-N 0 1 382.536 3.402 20 0 GGADMN CCCN(CCN1CCCC1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000511239674 566446434 /nfs/dbraw/zinc/44/64/34/566446434.db2.gz HYALBKXPOLKYDW-UHFFFAOYSA-N 0 1 380.432 3.082 20 0 GGADMN Cc1nn(C)c(CNCCc2nccn2Cc2ccccc2)c1Br ZINC000447927532 566446491 /nfs/dbraw/zinc/44/64/91/566446491.db2.gz BIRYBPLEPJJSID-UHFFFAOYSA-N 0 1 388.313 3.068 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCN(CCc2cccs2)CC1 ZINC000558082348 566447043 /nfs/dbraw/zinc/44/70/43/566447043.db2.gz VBUUGGOWTPZLRI-ZDUSSCGKSA-N 0 1 381.343 3.222 20 0 GGADMN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2nc3c(s2)CCCC3)s1 ZINC000671731362 566447185 /nfs/dbraw/zinc/44/71/85/566447185.db2.gz CNYLDZDYCARBJS-WDEREUQCSA-N 0 1 379.555 3.189 20 0 GGADMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671762469 566447429 /nfs/dbraw/zinc/44/74/29/566447429.db2.gz MAIAUEGOLIBVRP-SNVBAGLBSA-N 0 1 380.853 3.441 20 0 GGADMN O=C1[C@H](Sc2nc(-c3ccccc3Br)n[nH]2)CCN1C1CC1 ZINC000484716739 566448759 /nfs/dbraw/zinc/44/87/59/566448759.db2.gz YOLTVNNEHPCDFT-GFCCVEGCSA-N 0 1 379.283 3.090 20 0 GGADMN COC1CCN(CCNC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000671766081 566449332 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CO[C@@H]1[C@H]2C[C@H]3CN(Cc4nc(-c5cccc(Br)c5)no4)[C@H]1[C@H]3C2 ZINC000511673659 566482274 /nfs/dbraw/zinc/48/22/74/566482274.db2.gz VPDAKFAIIGFYQR-UOYADTOYSA-N 0 1 390.281 3.354 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H]1CCOC2(CCC2)C1 ZINC000577987058 566482518 /nfs/dbraw/zinc/48/25/18/566482518.db2.gz AHLPPBKXAUXUNQ-NSHDSACASA-N 0 1 393.285 3.226 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(Br)cc1F ZINC000672355661 566482680 /nfs/dbraw/zinc/48/26/80/566482680.db2.gz NPWBYTSQQYVVHJ-CMPLNLGQSA-N 0 1 375.307 3.203 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@H]1CCSC1)c1ccc(Br)cc1F ZINC000672355663 566482884 /nfs/dbraw/zinc/48/28/84/566482884.db2.gz NPWBYTSQQYVVHJ-PWSUYJOCSA-N 0 1 375.307 3.203 20 0 GGADMN CO[C@H](CNCc1ccc(Cl)cc1I)[C@H]1CCOC1 ZINC000602638936 566483434 /nfs/dbraw/zinc/48/34/34/566483434.db2.gz YPEIJKCAPBVROU-SMDDNHRTSA-N 0 1 395.668 3.086 20 0 GGADMN CC(=O)NCc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000464548396 566483729 /nfs/dbraw/zinc/48/37/29/566483729.db2.gz AOOPAOPIQXEMOA-UHFFFAOYSA-N 0 1 387.237 3.214 20 0 GGADMN CCOC(=O)[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)[C@H](C)CC ZINC000464547074 566484437 /nfs/dbraw/zinc/48/44/37/566484437.db2.gz UEPPVTVSSGSOOL-RNCFNFMXSA-N 0 1 382.258 3.033 20 0 GGADMN Cc1cc2ncc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)c(C)n2n1 ZINC000464554218 566484686 /nfs/dbraw/zinc/48/46/86/566484686.db2.gz DOTDQGKGHNHVJT-UHFFFAOYSA-N 0 1 385.225 3.237 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN[C@@H]2CCSc3c(F)cccc32)c1 ZINC000578034910 566484860 /nfs/dbraw/zinc/48/48/60/566484860.db2.gz WJTIGWAKDSIGQB-QGZVFWFLSA-N 0 1 380.510 3.403 20 0 GGADMN C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccsc2Cl)CCN1Cc1ccccc1 ZINC000511737143 566485111 /nfs/dbraw/zinc/48/51/11/566485111.db2.gz MIODZDPXXHEQJN-TZMCWYRMSA-N 0 1 377.897 3.119 20 0 GGADMN COc1cc(Br)c(C(=O)N2CCN(C3CCCC3)CC2)cc1OC ZINC000448658865 566485806 /nfs/dbraw/zinc/48/58/06/566485806.db2.gz UNYJTWOTGXESEF-UHFFFAOYSA-N 0 1 397.313 3.167 20 0 GGADMN C[C@@H](CC(=O)Nc1nc2ccc(Br)cc2[nH]1)NC(=O)C1CCCC1 ZINC000464561539 566485811 /nfs/dbraw/zinc/48/58/11/566485811.db2.gz VBKWTFORLJCCDQ-JTQLQIEISA-N 0 1 393.285 3.349 20 0 GGADMN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464561377 566485825 /nfs/dbraw/zinc/48/58/25/566485825.db2.gz UHLKOMOIJSNABJ-BJOHPYRUSA-N 0 1 388.221 3.492 20 0 GGADMN C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464570505 566485993 /nfs/dbraw/zinc/48/59/93/566485993.db2.gz MTKBTEBCYVOKMD-SNVBAGLBSA-N 0 1 393.285 3.349 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)CCC(=O)N2 ZINC000464557048 566486035 /nfs/dbraw/zinc/48/60/35/566486035.db2.gz UZRYSFSCWXFCBP-UHFFFAOYSA-N 0 1 385.221 3.462 20 0 GGADMN COC1(CNCc2ncc(I)s2)CCC(C)CC1 ZINC000511765984 566486291 /nfs/dbraw/zinc/48/62/91/566486291.db2.gz ZAOIKAJQSVNCIH-UHFFFAOYSA-N 0 1 380.295 3.433 20 0 GGADMN C[C@H](CC(=O)Nc1nc2ccc(Br)cc2[nH]1)NC(=O)C1CCCC1 ZINC000464561540 566486287 /nfs/dbraw/zinc/48/62/87/566486287.db2.gz VBKWTFORLJCCDQ-SNVBAGLBSA-N 0 1 393.285 3.349 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC(C)(C)O)cc2)c1 ZINC000485262433 566486560 /nfs/dbraw/zinc/48/65/60/566486560.db2.gz CEMMCLBPGXTXQU-UHFFFAOYSA-N 0 1 385.869 3.299 20 0 GGADMN CC(C)CCn1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000464578479 566487146 /nfs/dbraw/zinc/48/71/46/566487146.db2.gz ZDIPFNCAUCIXLW-UHFFFAOYSA-N 0 1 377.246 3.215 20 0 GGADMN COc1ccc2c(c1)CC[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C2 ZINC000672400665 566487304 /nfs/dbraw/zinc/48/73/04/566487304.db2.gz WYQRIKQPUJDQGF-GFCCVEGCSA-N 0 1 387.835 3.463 20 0 GGADMN Cc1nn(C)c2nc(C)c(C(=O)Nc3nc4ccc(Br)cc4[nH]3)cc12 ZINC000464575716 566487482 /nfs/dbraw/zinc/48/74/82/566487482.db2.gz BVEUUOFMEGWDCJ-UHFFFAOYSA-N 0 1 399.252 3.476 20 0 GGADMN CC(C)(C)C(=O)NCCCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464571596 566487533 /nfs/dbraw/zinc/48/75/33/566487533.db2.gz DXZDTTBXIGYUHL-UHFFFAOYSA-N 0 1 381.274 3.206 20 0 GGADMN O=C(CCNC(=O)C1CCCCC1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464574189 566487665 /nfs/dbraw/zinc/48/76/65/566487665.db2.gz BQEDRYPGHGJLBS-UHFFFAOYSA-N 0 1 393.285 3.351 20 0 GGADMN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464577384 566487730 /nfs/dbraw/zinc/48/77/30/566487730.db2.gz TZBSYPRTBJLLNZ-MRVPVSSYSA-N 0 1 393.266 3.144 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1C ZINC000464572328 566487816 /nfs/dbraw/zinc/48/78/16/566487816.db2.gz RQSCQHDAYLPCCB-UHFFFAOYSA-N 0 1 391.225 3.309 20 0 GGADMN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000485289400 566488096 /nfs/dbraw/zinc/48/80/96/566488096.db2.gz TZFDDZCPQLQGSZ-KBXCAEBGSA-N 0 1 380.945 3.030 20 0 GGADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc2cc(Br)ccc2s1 ZINC000627575098 566490357 /nfs/dbraw/zinc/49/03/57/566490357.db2.gz DYZBZAWARQYMQU-CQSZACIVSA-N 0 1 397.338 3.240 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000558592499 566490711 /nfs/dbraw/zinc/49/07/11/566490711.db2.gz HFVDZYXNVJNOCG-UHFFFAOYSA-N 0 1 382.239 3.140 20 0 GGADMN O=C(Nc1ccc2c(c1)CCO2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602739605 566491453 /nfs/dbraw/zinc/49/14/53/566491453.db2.gz ISRPBKFKZOLWJD-UHFFFAOYSA-N 0 1 385.217 3.478 20 0 GGADMN Cc1csc(N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n1 ZINC000602770438 566493089 /nfs/dbraw/zinc/49/30/89/566493089.db2.gz GBZDHGMWVHHMOJ-UHFFFAOYSA-N 0 1 378.251 3.332 20 0 GGADMN CN1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c2ccccc21 ZINC000602767498 566493625 /nfs/dbraw/zinc/49/36/25/566493625.db2.gz FYIMNXKDHOHDCK-UHFFFAOYSA-N 0 1 398.260 3.387 20 0 GGADMN FC(F)(F)CN1CC[C@@H](Nc2nc(C(F)(F)F)c(Br)s2)C1 ZINC000578122321 566493770 /nfs/dbraw/zinc/49/37/70/566493770.db2.gz RZDDBDXKQZOIRG-RXMQYKEDSA-N 0 1 398.170 3.395 20 0 GGADMN NC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21 ZINC000485391897 566493656 /nfs/dbraw/zinc/49/36/56/566493656.db2.gz RRFVKAABZLWNHJ-UHFFFAOYSA-N 0 1 386.260 3.235 20 0 GGADMN CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485392257 566494208 /nfs/dbraw/zinc/49/42/08/566494208.db2.gz FPGSRMIKIIXVAK-UHFFFAOYSA-N 0 1 380.274 3.198 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](CCO)c2ccccc2)ccc1Br ZINC000538129913 566494282 /nfs/dbraw/zinc/49/42/82/566494282.db2.gz WIYREYSWYUUASR-KRWDZBQOSA-N 0 1 377.282 3.409 20 0 GGADMN C[C@H]1C[C@]1(NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(Cl)cc1 ZINC000558629155 566494691 /nfs/dbraw/zinc/49/46/91/566494691.db2.gz WMQHLQOKXHJEFA-KPZWWZAWSA-N 0 1 375.881 3.187 20 0 GGADMN CCc1c(C(=O)N2CCNC(C)(C)C2)cnn1-c1ccc(Br)cc1 ZINC000423713365 566495175 /nfs/dbraw/zinc/49/51/75/566495175.db2.gz VKQMDZDCRBHBKK-UHFFFAOYSA-N 0 1 391.313 3.021 20 0 GGADMN Fc1cccc(NCCCNCc2ncc(I)s2)c1 ZINC000511908514 566495303 /nfs/dbraw/zinc/49/53/03/566495303.db2.gz ADICBMQUEQJBAB-UHFFFAOYSA-N 0 1 391.253 3.479 20 0 GGADMN C[C@@H]1C[C@]1(NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(Cl)cc1 ZINC000558629156 566495432 /nfs/dbraw/zinc/49/54/32/566495432.db2.gz WMQHLQOKXHJEFA-KZULUSFZSA-N 0 1 375.881 3.187 20 0 GGADMN CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485403207 566495463 /nfs/dbraw/zinc/49/54/63/566495463.db2.gz JRQHPMSBMCNSDN-UHFFFAOYSA-N 0 1 394.301 3.339 20 0 GGADMN CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485400900 566495723 /nfs/dbraw/zinc/49/57/23/566495723.db2.gz DYVCCWJAIPVMQP-UHFFFAOYSA-N 0 1 394.301 3.339 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(Br)cc1 ZINC000538143198 566496007 /nfs/dbraw/zinc/49/60/07/566496007.db2.gz IFHKMYFUBFHJDB-CYBMUJFWSA-N 0 1 395.272 3.434 20 0 GGADMN Cc1cc([C@@H]2CCCN2c2cc(-n3cccn3)nc(N)n2)ccc1Br ZINC000485406808 566495990 /nfs/dbraw/zinc/49/59/90/566495990.db2.gz OBAQXAIWRFLSQI-HNNXBMFYSA-N 0 1 399.296 3.487 20 0 GGADMN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485397774 566496000 /nfs/dbraw/zinc/49/60/00/566496000.db2.gz CEBCBTMOSOJILY-UHFFFAOYSA-N 0 1 394.301 3.339 20 0 GGADMN CCOC(=O)C[C@@](C)(NCc1ncc(I)s1)C(C)C ZINC000511898183 566496082 /nfs/dbraw/zinc/49/60/82/566496082.db2.gz WIGFHXHFCRKZEG-CYBMUJFWSA-N 0 1 396.294 3.205 20 0 GGADMN COCC[C@H](Cc1ccco1)NCc1ncc(I)s1 ZINC000511910345 566496137 /nfs/dbraw/zinc/49/61/37/566496137.db2.gz VZTYBKXMAYPRLY-SNVBAGLBSA-N 0 1 392.262 3.078 20 0 GGADMN COCC[C@@H](Cc1ccco1)NCc1ncc(I)s1 ZINC000511910344 566496156 /nfs/dbraw/zinc/49/61/56/566496156.db2.gz VZTYBKXMAYPRLY-JTQLQIEISA-N 0 1 392.262 3.078 20 0 GGADMN O=S(=O)(Nc1cccc(Cn2cncn2)c1)c1ccc(Cl)cc1Cl ZINC000485420064 566496470 /nfs/dbraw/zinc/49/64/70/566496470.db2.gz VVOLYTSDPQCOIB-UHFFFAOYSA-N 0 1 383.260 3.434 20 0 GGADMN O=C1CCC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)=NN1 ZINC000485417001 566496502 /nfs/dbraw/zinc/49/65/02/566496502.db2.gz LLDMQTIXQQBRDD-UHFFFAOYSA-N 0 1 398.271 3.408 20 0 GGADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000672553731 566496862 /nfs/dbraw/zinc/49/68/62/566496862.db2.gz XWTAJZSMRKDIKO-CXAGYDPISA-N 0 1 399.292 3.435 20 0 GGADMN C[C@H](NCCOC[C@H]1CCCO1)c1cc2c(cc1Br)OCCO2 ZINC000538180146 566497306 /nfs/dbraw/zinc/49/73/06/566497306.db2.gz NJBLHIMQONSMMH-QWHCGFSZSA-N 0 1 386.286 3.067 20 0 GGADMN CC(C)C[C@@H]1C[C@H](NCc2ncc(I)s2)CCO1 ZINC000511928435 566497387 /nfs/dbraw/zinc/49/73/87/566497387.db2.gz WLNLQDBNSGOBDR-GHMZBOCLSA-N 0 1 380.295 3.431 20 0 GGADMN CC(C)C[C@H]1C[C@H](NCc2ncc(I)s2)CCO1 ZINC000511928436 566497580 /nfs/dbraw/zinc/49/75/80/566497580.db2.gz WLNLQDBNSGOBDR-MNOVXSKESA-N 0 1 380.295 3.431 20 0 GGADMN CC(=O)NCC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000672576596 566497912 /nfs/dbraw/zinc/49/79/12/566497912.db2.gz XWRQBJPBKSDJGT-HIFRSBDPSA-N 0 1 396.329 3.014 20 0 GGADMN CC(C)(C)[C@H]1C[C@H](NCc2ncc(I)s2)CCO1 ZINC000511944966 566498504 /nfs/dbraw/zinc/49/85/04/566498504.db2.gz ZMXJLRMYQGFLNT-NXEZZACHSA-N 0 1 380.295 3.431 20 0 GGADMN O=[S@](CCN1CC[C@H](Oc2cncc(Br)c2)C1)c1ccccc1 ZINC000602882630 566498524 /nfs/dbraw/zinc/49/85/24/566498524.db2.gz OMBMKFAJXXSLBP-NPMXOYFQSA-N 0 1 395.322 3.105 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCOC[C@H](C)C3)C2=O)ccc1Br ZINC000464689852 566499008 /nfs/dbraw/zinc/49/90/08/566499008.db2.gz KYHAKEUPLOCFAP-CXAGYDPISA-N 0 1 381.314 3.221 20 0 GGADMN O=[S@@](CCN1CC[C@@H](Oc2cncc(Br)c2)C1)c1ccccc1 ZINC000602882626 566499072 /nfs/dbraw/zinc/49/90/72/566499072.db2.gz OMBMKFAJXXSLBP-CMJOXMDJSA-N 0 1 395.322 3.105 20 0 GGADMN Cc1cc(N2CCC[C@H](N3CCC[C@](C)(O)C3)C2=O)ccc1Br ZINC000464694796 566499216 /nfs/dbraw/zinc/49/92/16/566499216.db2.gz XYIVSHIRAODLKA-WMZOPIPTSA-N 0 1 381.314 3.100 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000538217981 566499730 /nfs/dbraw/zinc/49/97/30/566499730.db2.gz MXVOTEYNKIQMGM-RULNRJAQSA-N 0 1 378.357 3.255 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000485461124 566500354 /nfs/dbraw/zinc/50/03/54/566500354.db2.gz BTXMRFGABOOCMB-UHFFFAOYSA-N 0 1 396.329 3.252 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000538217980 566500323 /nfs/dbraw/zinc/50/03/23/566500323.db2.gz MXVOTEYNKIQMGM-RBZYPMLTSA-N 0 1 378.357 3.255 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000538217979 566500383 /nfs/dbraw/zinc/50/03/83/566500383.db2.gz MXVOTEYNKIQMGM-IMSIIYSGSA-N 0 1 378.357 3.255 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000423988915 566500670 /nfs/dbraw/zinc/50/06/70/566500670.db2.gz AYBPPKQNTIGTBQ-WMLDXEAASA-N 0 1 389.293 3.390 20 0 GGADMN O=C([C@H]1COc2ccc(Br)cc21)N1CCNC[C@@H]1c1ccccc1 ZINC000423990527 566500921 /nfs/dbraw/zinc/50/09/21/566500921.db2.gz CNEDVLNRKVSXMW-DLBZAZTESA-N 0 1 387.277 3.098 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc(I)c1 ZINC000538246582 566501286 /nfs/dbraw/zinc/50/12/86/566501286.db2.gz WJJHLMOBXSKAND-CQSZACIVSA-N 0 1 387.265 3.095 20 0 GGADMN O=C(Cc1cc(F)ccc1Br)N1CCNC[C@@H]1c1ccccc1 ZINC000423999042 566502292 /nfs/dbraw/zinc/50/22/92/566502292.db2.gz MWOCZBPVOFENLM-QGZVFWFLSA-N 0 1 377.257 3.304 20 0 GGADMN O=C(Cc1ccc(Br)c(F)c1)N1CCNC[C@H]1c1ccccc1 ZINC000423997061 566502786 /nfs/dbraw/zinc/50/27/86/566502786.db2.gz KWYCIQANMDAOKF-KRWDZBQOSA-N 0 1 377.257 3.304 20 0 GGADMN CO[C@@H](c1ccccc1F)[C@@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000538284968 566502871 /nfs/dbraw/zinc/50/28/71/566502871.db2.gz NAUSOQXCKVTZGJ-RFAUZJTJSA-N 0 1 377.359 3.298 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000672724096 566502836 /nfs/dbraw/zinc/50/28/36/566502836.db2.gz ZJISBHFFWSFREW-WBVHZDCISA-N 0 1 381.929 3.080 20 0 GGADMN CN1CCN(C(=O)CN[C@H](Cc2ccccc2Cl)c2ccsc2)CC1 ZINC000651208571 566504441 /nfs/dbraw/zinc/50/44/41/566504441.db2.gz BDMJRLYJWWIFQL-GOSISDBHSA-N 0 1 377.941 3.049 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCOc1ccccc1F ZINC000578242673 566505139 /nfs/dbraw/zinc/50/51/39/566505139.db2.gz IAJBBPMQDHJKRO-INIZCTEOSA-N 0 1 394.240 3.479 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1ccccc1F ZINC000578242673 566505145 /nfs/dbraw/zinc/50/51/45/566505145.db2.gz IAJBBPMQDHJKRO-INIZCTEOSA-N 0 1 394.240 3.479 20 0 GGADMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000485492994 566505221 /nfs/dbraw/zinc/50/52/21/566505221.db2.gz MBCIOOXBWRFEMR-ZIAGYGMSSA-N 0 1 393.325 3.473 20 0 GGADMN O=C1C[C@]2(CN1)CCCN(CCOc1ccc(Cl)cc1Br)C2 ZINC000464790585 566505352 /nfs/dbraw/zinc/50/53/52/566505352.db2.gz BMNDVOGQEAOMNW-INIZCTEOSA-N 0 1 387.705 3.083 20 0 GGADMN O=C1C[C@@]2(CN1)CCCN(CCOc1ccc(Cl)cc1Br)C2 ZINC000464790593 566505394 /nfs/dbraw/zinc/50/53/94/566505394.db2.gz BMNDVOGQEAOMNW-MRXNPFEDSA-N 0 1 387.705 3.083 20 0 GGADMN Cc1ccc(CNCc2ccc(S(C)(=O)=O)s2)c(-c2cnn(C)c2)c1 ZINC000558780738 566507401 /nfs/dbraw/zinc/50/74/01/566507401.db2.gz CXEDKXCMJWJHPA-UHFFFAOYSA-N 0 1 375.519 3.150 20 0 GGADMN CCN(CC)S(=O)(=O)CCN[C@@H](C)c1cc(C)c(Br)s1 ZINC000512027584 566507416 /nfs/dbraw/zinc/50/74/16/566507416.db2.gz XGRIXJFVDJXBMP-NSHDSACASA-N 0 1 383.377 3.141 20 0 GGADMN O=S(=O)(CCc1cccc(Cl)c1)Nc1ccn(CCC(F)(F)F)n1 ZINC000424080538 566509106 /nfs/dbraw/zinc/50/91/06/566509106.db2.gz INNDLZZTGKAAIN-UHFFFAOYSA-N 0 1 381.807 3.473 20 0 GGADMN CCC1(CC)[C@H](NCc2ncc(I)s2)C[C@@H]1OC ZINC000512052284 566509203 /nfs/dbraw/zinc/50/92/03/566509203.db2.gz LVGVUQUSVTYKHJ-ZJUUUORDSA-N 0 1 380.295 3.431 20 0 GGADMN O=C(NCCNCc1cscc1Br)c1c(F)cccc1F ZINC000512052041 566509287 /nfs/dbraw/zinc/50/92/87/566509287.db2.gz LBYBYRJFDVAHCG-UHFFFAOYSA-N 0 1 375.238 3.308 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(Br)c2c1OCCC2 ZINC000485544010 566509459 /nfs/dbraw/zinc/50/94/59/566509459.db2.gz JSSZGWXGAZYDRT-UHFFFAOYSA-N 0 1 399.248 3.029 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2ncc(Br)cc2c1 ZINC000672846407 566509553 /nfs/dbraw/zinc/50/95/53/566509553.db2.gz KELPLQLVVQWZMA-CVEARBPZSA-N 0 1 389.297 3.091 20 0 GGADMN Cc1ccc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)nc1C ZINC000578316209 566510980 /nfs/dbraw/zinc/51/09/80/566510980.db2.gz RELQWODYKDRFPN-MRXNPFEDSA-N 0 1 383.261 3.130 20 0 GGADMN COC(=O)c1cc(CNC[C@@H](O)COc2cc(Cl)ccc2Cl)oc1C ZINC000578315733 566511157 /nfs/dbraw/zinc/51/11/57/566511157.db2.gz CAUYHYDZZAMICF-GFCCVEGCSA-N 0 1 388.247 3.211 20 0 GGADMN COc1ccc(CNC[C@H](O)COc2ccc(F)cc2)c(Br)c1 ZINC000512090723 566511683 /nfs/dbraw/zinc/51/16/83/566511683.db2.gz WVDYBVNZCIFOOM-AWEZNQCLSA-N 0 1 384.245 3.126 20 0 GGADMN O=C(NCCNCc1cc(F)c(F)cc1F)c1cccc(Br)c1 ZINC000538401605 566511822 /nfs/dbraw/zinc/51/18/22/566511822.db2.gz NVJTWXFAJNIFSL-UHFFFAOYSA-N 0 1 387.199 3.386 20 0 GGADMN C[C@@H](CNCc1ncc(I)s1)N(C)c1ccccc1 ZINC000512088308 566512401 /nfs/dbraw/zinc/51/24/01/566512401.db2.gz OIEALWVQYZXJRF-NSHDSACASA-N 0 1 387.290 3.362 20 0 GGADMN CC(C)(C)OC(=O)C(C)(C)CCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000424115954 566512920 /nfs/dbraw/zinc/51/29/20/566512920.db2.gz AZPFEFLHZDLJBG-AWEZNQCLSA-N 0 1 399.329 3.323 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000424104551 566513089 /nfs/dbraw/zinc/51/30/89/566513089.db2.gz HEJMNFCAGCJSFW-UHFFFAOYSA-N 0 1 388.281 3.163 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000512107146 566513422 /nfs/dbraw/zinc/51/34/22/566513422.db2.gz PTKNKUVNHMARFC-YQQAZPJKSA-N 0 1 397.357 3.195 20 0 GGADMN C[C@H]1Cc2ccccc2N1CCNCc1ncc(I)s1 ZINC000512099099 566513594 /nfs/dbraw/zinc/51/35/94/566513594.db2.gz LZOLRKIYFOYONU-NSHDSACASA-N 0 1 399.301 3.289 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000512107145 566513873 /nfs/dbraw/zinc/51/38/73/566513873.db2.gz PTKNKUVNHMARFC-HLLBOEOZSA-N 0 1 397.357 3.195 20 0 GGADMN CCS[C@@H](C)c1noc(Cn2cc([C@H](N)c3ccc(Cl)cc3)nn2)n1 ZINC000603251231 566515224 /nfs/dbraw/zinc/51/52/24/566515224.db2.gz RKTOPDFLAIDKJU-ZUZCIYMTSA-N 0 1 378.889 3.225 20 0 GGADMN COc1ccc(CCNCc2ncc(I)s2)cc1F ZINC000512129766 566515179 /nfs/dbraw/zinc/51/51/79/566515179.db2.gz JKQASCWDHREURI-UHFFFAOYSA-N 0 1 392.237 3.228 20 0 GGADMN C[C@@H]1CN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)[C@H](C)CN1C ZINC000512112645 566515628 /nfs/dbraw/zinc/51/56/28/566515628.db2.gz AGIAVHVLWAXWAS-ZIAGYGMSSA-N 0 1 375.563 3.493 20 0 GGADMN CCS[C@@H](C)c1noc(Cn2cc([C@@H](N)c3ccc(Cl)cc3)nn2)n1 ZINC000603251229 566515835 /nfs/dbraw/zinc/51/58/35/566515835.db2.gz RKTOPDFLAIDKJU-BONVTDFDSA-N 0 1 378.889 3.225 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3C[C@H](C)N(C)C[C@@H]3C)c2c1C ZINC000512146954 566516436 /nfs/dbraw/zinc/51/64/36/566516436.db2.gz RKBXXYJJQYMPHQ-RYUDHWBXSA-N 0 1 378.567 3.341 20 0 GGADMN CC[C@@H](NC(=O)CSc1nnc(C)[nH]1)c1cc(F)cc(Br)c1 ZINC000485667789 566516582 /nfs/dbraw/zinc/51/65/82/566516582.db2.gz HICAMHGVQARCLX-GFCCVEGCSA-N 0 1 387.278 3.374 20 0 GGADMN CC[C@@H](NC(=O)CSc1nc(C)n[nH]1)c1cc(F)cc(Br)c1 ZINC000485667789 566516588 /nfs/dbraw/zinc/51/65/88/566516588.db2.gz HICAMHGVQARCLX-GFCCVEGCSA-N 0 1 387.278 3.374 20 0 GGADMN Cc1cc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC000512144251 566517288 /nfs/dbraw/zinc/51/72/88/566517288.db2.gz BDYAZKFGDFSLFG-OLZOCXBDSA-N 0 1 376.298 3.470 20 0 GGADMN Cc1nn(C)cc1CNCc1cc(Cl)cc(I)c1 ZINC000424179138 566517558 /nfs/dbraw/zinc/51/75/58/566517558.db2.gz YJBFYCHDWZWGCA-UHFFFAOYSA-N 0 1 375.641 3.276 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)n[nH]1 ZINC000558996135 566518368 /nfs/dbraw/zinc/51/83/68/566518368.db2.gz IPBVZKSYVQANAJ-RKDXNWHRSA-N 0 1 384.267 3.441 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1NCc1ccc(Cl)cc1Br ZINC000485691889 566518372 /nfs/dbraw/zinc/51/83/72/566518372.db2.gz DSWHPHVUINYNSH-LSDHHAIUSA-N 0 1 378.694 3.013 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1NCc1ccc(Cl)cc1Br ZINC000485691888 566518499 /nfs/dbraw/zinc/51/84/99/566518499.db2.gz DSWHPHVUINYNSH-HUUCEWRRSA-N 0 1 378.694 3.013 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000448994955 566518463 /nfs/dbraw/zinc/51/84/63/566518463.db2.gz PJKOLPOWGWWUPD-AWEZNQCLSA-N 0 1 376.298 3.345 20 0 GGADMN Brc1ccc([C@H](NCc2n[nH]c(C3CC3)n2)[C@H]2CCCO2)cc1 ZINC000651390370 566519785 /nfs/dbraw/zinc/51/97/85/566519785.db2.gz YGXXSDRLMUMHQH-ZBFHGGJFSA-N 0 1 377.286 3.455 20 0 GGADMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCN(c2ncccc2Cl)CC1 ZINC000485695314 566520156 /nfs/dbraw/zinc/52/01/56/566520156.db2.gz XKBXOQHJRHSZIN-UHFFFAOYSA-N 0 1 376.247 3.227 20 0 GGADMN COc1cc(Br)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cc1Cl ZINC000424211303 566520230 /nfs/dbraw/zinc/52/02/30/566520230.db2.gz JRKXMJJGYMXOAI-RXMQYKEDSA-N 0 1 396.612 3.340 20 0 GGADMN COCC[C@]1(NCc2coc(-c3ccc(Br)cc3)n2)CCOC1 ZINC000578424961 566520428 /nfs/dbraw/zinc/52/04/28/566520428.db2.gz UUOYENIRUVOEPO-KRWDZBQOSA-N 0 1 381.270 3.389 20 0 GGADMN COC(=O)c1cnc([C@H](C)NCc2nc3c(s2)CN(C(C)C)CC3)s1 ZINC000424204484 566520478 /nfs/dbraw/zinc/52/04/78/566520478.db2.gz SVZAVTZTAHLBRP-NSHDSACASA-N 0 1 380.539 3.004 20 0 GGADMN COCC[C@@]1(NCc2coc(-c3ccc(Br)cc3)n2)CCOC1 ZINC000578424962 566520677 /nfs/dbraw/zinc/52/06/77/566520677.db2.gz UUOYENIRUVOEPO-QGZVFWFLSA-N 0 1 381.270 3.389 20 0 GGADMN COC(=O)CCN(CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C(C)C ZINC000512264564 566521372 /nfs/dbraw/zinc/52/13/72/566521372.db2.gz MRDRKKNFFKOQJF-UHFFFAOYSA-N 0 1 375.296 3.225 20 0 GGADMN CNC(=O)CC1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449025325 566522211 /nfs/dbraw/zinc/52/22/11/566522211.db2.gz BIIWINOPYUYZQM-UHFFFAOYSA-N 0 1 376.298 3.345 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000449027463 566522377 /nfs/dbraw/zinc/52/23/77/566522377.db2.gz IKPGSCUFHRTMRP-DFBGVHRSSA-N 0 1 381.314 3.050 20 0 GGADMN Cc1ccc2nc(CNC(=O)COc3ccc(F)cc3Br)[nH]c2c1 ZINC000465186151 566522953 /nfs/dbraw/zinc/52/29/53/566522953.db2.gz GOAJOMQRPJMABC-UHFFFAOYSA-N 0 1 392.228 3.468 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000424261813 566523445 /nfs/dbraw/zinc/52/34/45/566523445.db2.gz PLUVWMVXPSRQRM-OAHLLOKOSA-N 0 1 383.286 3.497 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cc(F)cc(Cl)c2)c(C)s1 ZINC000485732014 566523450 /nfs/dbraw/zinc/52/34/50/566523450.db2.gz LCGGTWRBPIRGSV-UHFFFAOYSA-N 0 1 376.906 3.226 20 0 GGADMN CCOC(=O)c1cc(CN2CCC(n3cc(Br)cn3)CC2)[nH]c1C ZINC000449034075 566523605 /nfs/dbraw/zinc/52/36/05/566523605.db2.gz HZMQRGLCKWDNHL-UHFFFAOYSA-N 0 1 395.301 3.296 20 0 GGADMN CCN(CC)[C@@H](C(=O)N(C)c1ncc(Br)cn1)c1ccccc1 ZINC000578450878 566523830 /nfs/dbraw/zinc/52/38/30/566523830.db2.gz NOQBBEYSQBMXRH-OAHLLOKOSA-N 0 1 377.286 3.285 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](C2CC2)C1 ZINC000449035705 566523820 /nfs/dbraw/zinc/52/38/20/566523820.db2.gz HUMWWNGYACXNDA-GXTWGEPZSA-N 0 1 381.314 3.194 20 0 GGADMN C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1cncc(Br)c1 ZINC000578454094 566524004 /nfs/dbraw/zinc/52/40/04/566524004.db2.gz PMVFZAUIXCZEHY-ZBEGNZNMSA-N 0 1 378.245 3.439 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000628015890 566524452 /nfs/dbraw/zinc/52/44/52/566524452.db2.gz KSZTTXSSUVGPIJ-LOWVWBTDSA-N 0 1 381.263 3.383 20 0 GGADMN O=C(CN1CCC[C@@H]1C1CCOCC1)Nc1ccc(Br)cc1F ZINC000538626811 566524475 /nfs/dbraw/zinc/52/44/75/566524475.db2.gz DLILVQGCEGTXHB-MRXNPFEDSA-N 0 1 385.277 3.418 20 0 GGADMN Cc1ccc(NCc2nc3c(s2)CN(C(C)C)CC3)cc1S(C)(=O)=O ZINC000512295451 566524718 /nfs/dbraw/zinc/52/47/18/566524718.db2.gz TYZYNNIUVCFVGF-UHFFFAOYSA-N 0 1 379.551 3.234 20 0 GGADMN C[C@@]1(n2cc(CN[C@@H]3CCCc4sc(Cl)cc43)cn2)CCS(=O)(=O)C1 ZINC000559078869 566525180 /nfs/dbraw/zinc/52/51/80/566525180.db2.gz CESLLLXGNPYXBF-RHSMWYFYSA-N 0 1 399.969 3.299 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)[C@@H]1C(=O)[O-] ZINC000424274575 566525354 /nfs/dbraw/zinc/52/53/54/566525354.db2.gz WEKKOJVBJNHQIE-BZNIZROVSA-N 0 1 384.270 3.296 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCc1ccc(F)cc1 ZINC000449061752 566525698 /nfs/dbraw/zinc/52/56/98/566525698.db2.gz JTMKALONKWTNBK-LBPRGKRZSA-N 0 1 395.272 3.391 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC[C@H]1CCCO1 ZINC000449063647 566525925 /nfs/dbraw/zinc/52/59/25/566525925.db2.gz NKLXOQPXIQWTRY-CYBMUJFWSA-N 0 1 384.263 3.234 20 0 GGADMN CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CCCC(F)(F)F ZINC000538656707 566526462 /nfs/dbraw/zinc/52/64/62/566526462.db2.gz KORRIDNAEQCQFD-MRXNPFEDSA-N 0 1 378.460 3.255 20 0 GGADMN CC[C@@](C)(O)CNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449075817 566526941 /nfs/dbraw/zinc/52/69/41/566526941.db2.gz WFKWKCODDLWQEA-QGZVFWFLSA-N 0 1 386.279 3.216 20 0 GGADMN CC[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1cc(F)cc(Br)c1 ZINC000485802851 566527063 /nfs/dbraw/zinc/52/70/63/566527063.db2.gz CJQAYASQKZACIG-ZDUSSCGKSA-N 0 1 388.281 3.253 20 0 GGADMN COc1ccnc(CN[C@@H](C)CCc2ccc(I)cc2)n1 ZINC000424312900 566527324 /nfs/dbraw/zinc/52/73/24/566527324.db2.gz XKXKXKCZMQWWSK-LBPRGKRZSA-N 0 1 397.260 3.201 20 0 GGADMN C[C@@H](C[S@](C)=O)NCc1cc(Br)sc1Br ZINC000603437300 566527452 /nfs/dbraw/zinc/52/74/52/566527452.db2.gz LJBFTGUCWCERPH-XHLQUELWSA-N 0 1 375.151 3.130 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512360189 566527816 /nfs/dbraw/zinc/52/78/16/566527816.db2.gz UCYOQNBDGWKHME-GFCCVEGCSA-N 0 1 399.969 3.410 20 0 GGADMN CC[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(Br)c1 ZINC000485806545 566527924 /nfs/dbraw/zinc/52/79/24/566527924.db2.gz OWWMDNCFWULSRC-HSMVNMDESA-N 0 1 387.293 3.265 20 0 GGADMN CN(C)C(=O)COc1cccc(CNCc2cc(F)cc(Br)c2)c1 ZINC000449088502 566528258 /nfs/dbraw/zinc/52/82/58/566528258.db2.gz HRAVGPKLWGRAGT-UHFFFAOYSA-N 0 1 395.272 3.345 20 0 GGADMN O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000578500270 566528378 /nfs/dbraw/zinc/52/83/78/566528378.db2.gz SLKVVHTZWAZQJC-MRVPVSSYSA-N 0 1 389.175 3.216 20 0 GGADMN NC1(c2noc(Cc3ccc(I)cc3)n2)CCCCC1 ZINC000424349784 566528467 /nfs/dbraw/zinc/52/84/67/566528467.db2.gz WMUSUJILPKLMBS-UHFFFAOYSA-N 0 1 383.233 3.383 20 0 GGADMN C[C@@H](NC(=O)c1ccc(Br)cc1)c1nc(C2(N)CCCCC2)no1 ZINC000424341441 566528579 /nfs/dbraw/zinc/52/85/79/566528579.db2.gz VKWKMICBPSZSMS-LLVKDONJSA-N 0 1 393.285 3.441 20 0 GGADMN NC1(c2noc(Cc3cccc(I)c3)n2)CCCCC1 ZINC000424347504 566528635 /nfs/dbraw/zinc/52/86/35/566528635.db2.gz RPGOGTBCJCLGOE-UHFFFAOYSA-N 0 1 383.233 3.383 20 0 GGADMN O=C1[C@H](N2CC[C@H](c3cccnc3)C2)CCN1c1cccc(Br)c1 ZINC000578503177 566528921 /nfs/dbraw/zinc/52/89/21/566528921.db2.gz LGIKQIBIJVGJNH-MAUKXSAKSA-N 0 1 386.293 3.439 20 0 GGADMN C[C@H](NCc1ccc(I)cc1)C(=O)N1CCCC[C@@H]1C ZINC000449112435 566530005 /nfs/dbraw/zinc/53/00/05/566530005.db2.gz CIRNJGDKORLJRA-STQMWFEESA-N 0 1 386.277 3.170 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000651534473 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C[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(F)c(Br)c1 ZINC000559320530 566542337 /nfs/dbraw/zinc/54/23/37/566542337.db2.gz NKRVFQWNDXAAKG-LLVKDONJSA-N 0 1 376.229 3.447 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1NCc1cc(Cl)c(C)cc1Br ZINC000449255315 566542725 /nfs/dbraw/zinc/54/27/25/566542725.db2.gz CIZZXNKNGZVZHT-JKSUJKDBSA-N 0 1 392.721 3.321 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000449258670 566543038 /nfs/dbraw/zinc/54/30/38/566543038.db2.gz NXMFRZLBFSLVLP-ZENOOKHLSA-N 0 1 381.314 3.337 20 0 GGADMN Cn1c2ccc(CNCc3cc(Br)cc4c3OCC4)cc2oc1=O ZINC000512570465 566543230 /nfs/dbraw/zinc/54/32/30/566543230.db2.gz WDQQWFCODZRRGH-UHFFFAOYSA-N 0 1 389.249 3.119 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1NCc1cc(Cl)c(C)cc1Br ZINC000449255314 566543283 /nfs/dbraw/zinc/54/32/83/566543283.db2.gz CIZZXNKNGZVZHT-HZPDHXFCSA-N 0 1 392.721 3.321 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000673577256 566543806 /nfs/dbraw/zinc/54/38/06/566543806.db2.gz 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Cc1cc(Br)sc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000651705595 566553164 /nfs/dbraw/zinc/55/31/64/566553164.db2.gz YFECEEBWFBLQAW-VXGBXAGGSA-N 0 1 393.372 3.066 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCOc1ccc(Br)cc1 ZINC000673738035 566553263 /nfs/dbraw/zinc/55/32/63/566553263.db2.gz OVPXBAMFQNUPFM-UHFFFAOYSA-N 0 1 392.175 3.308 20 0 GGADMN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc2cncn2c1 ZINC000559515329 566554356 /nfs/dbraw/zinc/55/43/56/566554356.db2.gz YVHMMDSGWICDAQ-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000486081568 566554792 /nfs/dbraw/zinc/55/47/92/566554792.db2.gz REIZMJYQGLAIOV-ZDUSSCGKSA-N 0 1 398.320 3.256 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000673734268 566554764 /nfs/dbraw/zinc/55/47/64/566554764.db2.gz YKTDXBGQTWNJDV-UHFFFAOYSA-N 0 1 396.778 3.014 20 0 GGADMN O=c1ccc(Br)cn1CCNCc1sccc1Br ZINC000449373739 566554826 /nfs/dbraw/zinc/55/48/26/566554826.db2.gz CMUQZLOHPQGDDB-UHFFFAOYSA-N 0 1 392.116 3.225 20 0 GGADMN Cc1oc(Br)cc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000424670838 566555125 /nfs/dbraw/zinc/55/51/25/566555125.db2.gz VETHBNAEMYBDDG-UHFFFAOYSA-N 0 1 378.270 3.140 20 0 GGADMN CSCC[C@H](CO)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539059668 566556343 /nfs/dbraw/zinc/55/63/43/566556343.db2.gz DFHWVMPQUWEFNC-BXUZGUMPSA-N 0 1 399.358 3.103 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccccc2Br)cc1 ZINC000539039884 566556453 /nfs/dbraw/zinc/55/64/53/566556453.db2.gz HKSSXDBFWQGHFS-CQSZACIVSA-N 0 1 397.338 3.387 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cc(F)c(F)c(F)c2)c(C)s1 ZINC000539050267 566556800 /nfs/dbraw/zinc/55/68/00/566556800.db2.gz ARGCMHURGMICIT-SNVBAGLBSA-N 0 1 392.468 3.411 20 0 GGADMN COc1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc(Br)c1OC ZINC000559566868 566557268 /nfs/dbraw/zinc/55/72/68/566557268.db2.gz LCWDEXYRMQAGFD-SECBINFHSA-N 0 1 397.273 3.199 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(Br)c(OC)c(OC)c2)C[C@@H]1C ZINC000559567280 566557366 /nfs/dbraw/zinc/55/73/66/566557366.db2.gz PNKAXROKQNSFEJ-RYUDHWBXSA-N 0 1 385.302 3.021 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(F)cc1Br ZINC000486091170 566557721 /nfs/dbraw/zinc/55/77/21/566557721.db2.gz RCWPRHPJCQLAPA-KNXALSJPSA-N 0 1 376.266 3.059 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@H]1CCc2c1cc(Cl)cc2Br ZINC000539073498 566557749 /nfs/dbraw/zinc/55/77/49/566557749.db2.gz NNXVDTJSHXPVKE-AWEZNQCLSA-N 0 1 395.750 3.007 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(F)cc1Br ZINC000486091171 566557773 /nfs/dbraw/zinc/55/77/73/566557773.db2.gz RCWPRHPJCQLAPA-XFBWCDHKSA-N 0 1 376.266 3.059 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)cs1 ZINC000486098045 566557933 /nfs/dbraw/zinc/55/79/33/566557933.db2.gz GUCAHOJKRBACBF-UHFFFAOYSA-N 0 1 379.459 3.318 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000486091675 566557987 /nfs/dbraw/zinc/55/79/87/566557987.db2.gz HSOPFWBVOWQSAU-ZDUSSCGKSA-N 0 1 386.309 3.255 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H]1CCc2c1cc(Cl)cc2Br ZINC000539073499 566558113 /nfs/dbraw/zinc/55/81/13/566558113.db2.gz NNXVDTJSHXPVKE-CQSZACIVSA-N 0 1 395.750 3.007 20 0 GGADMN O=C1[C@@H](N[C@@H]2CCc3c2cc(Br)cc3F)CCN1CC(F)(F)F ZINC000539080485 566558265 /nfs/dbraw/zinc/55/82/65/566558265.db2.gz UIUDGSFPMNWWRS-OLZOCXBDSA-N 0 1 395.194 3.328 20 0 GGADMN O=C1[C@@H](N[C@H]2CCc3c2cc(Br)cc3F)CCN1CC(F)(F)F ZINC000539080492 566558427 /nfs/dbraw/zinc/55/84/27/566558427.db2.gz UIUDGSFPMNWWRS-STQMWFEESA-N 0 1 395.194 3.328 20 0 GGADMN Cc1cc(N2CCC[C@@H](N(C)CCn3cccn3)C2=O)ccc1Br ZINC000466206955 566558493 /nfs/dbraw/zinc/55/84/93/566558493.db2.gz XQTSXPKUZHWHJE-QGZVFWFLSA-N 0 1 391.313 3.081 20 0 GGADMN C[C@H](COc1ccc(F)cc1F)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000512807427 566558982 /nfs/dbraw/zinc/55/89/82/566558982.db2.gz HAOVKSKATHXWJP-MRVPVSSYSA-N 0 1 381.322 3.128 20 0 GGADMN CC(C)CN(CC[NH+](C)C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486110558 566559012 /nfs/dbraw/zinc/55/90/12/566559012.db2.gz RLCBTHZMIIJGTL-UHFFFAOYSA-N 0 1 394.313 3.363 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)s1 ZINC000578842799 566559663 /nfs/dbraw/zinc/55/96/63/566559663.db2.gz JHLJHXBIDDECHE-UHFFFAOYSA-N 0 1 383.344 3.493 20 0 GGADMN COc1ccc(Br)c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000449413740 566560181 /nfs/dbraw/zinc/56/01/81/566560181.db2.gz SUCQYLAPKVSLCW-DZGCQCFKSA-N 0 1 389.293 3.239 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@@H](COC(F)F)C1 ZINC000512834285 566560532 /nfs/dbraw/zinc/56/05/32/566560532.db2.gz RMHILRFYRRZEDO-NWDGAFQWSA-N 0 1 378.822 3.387 20 0 GGADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@@H](COC(F)F)C1 ZINC000512834290 566560750 /nfs/dbraw/zinc/56/07/50/566560750.db2.gz RMHILRFYRRZEDO-VXGBXAGGSA-N 0 1 378.822 3.387 20 0 GGADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](COC(F)F)C1 ZINC000512834283 566561003 /nfs/dbraw/zinc/56/10/03/566561003.db2.gz RMHILRFYRRZEDO-NEPJUHHUSA-N 0 1 378.822 3.387 20 0 GGADMN Cc1ccsc1CCNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000539114623 566561119 /nfs/dbraw/zinc/56/11/19/566561119.db2.gz NJOYSQJIZGRUTF-UHFFFAOYSA-N 0 1 381.342 3.105 20 0 GGADMN COC(=O)C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000604306366 566561439 /nfs/dbraw/zinc/56/14/39/566561439.db2.gz QVHYQMUXOFSJMT-CQSZACIVSA-N 0 1 387.307 3.369 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2ccccc2I)CCN1C ZINC000486155668 566563488 /nfs/dbraw/zinc/56/34/88/566563488.db2.gz JLSFRHKFIAUGCM-CQSZACIVSA-N 0 1 387.265 3.095 20 0 GGADMN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(Br)cc2SC)C1 ZINC000449453979 566563726 /nfs/dbraw/zinc/56/37/26/566563726.db2.gz NSXMOCALYHJFCJ-MRXNPFEDSA-N 0 1 388.327 3.183 20 0 GGADMN Cc1[nH]nc2ncc(CN[C@@](C)(CO)c3ccc(Br)cc3)cc12 ZINC000512866165 566564824 /nfs/dbraw/zinc/56/48/24/566564824.db2.gz XPXZBQBUJIDBFQ-KRWDZBQOSA-N 0 1 375.270 3.026 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2ccc(I)cc2)CCN1C ZINC000486160789 566564868 /nfs/dbraw/zinc/56/48/68/566564868.db2.gz CXKFOZSMDZCNHV-CQSZACIVSA-N 0 1 387.265 3.095 20 0 GGADMN C[C@H](NCc1cc(F)cc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000539160943 566565598 /nfs/dbraw/zinc/56/55/98/566565598.db2.gz JYTTZVDLILYMDR-JTQLQIEISA-N 0 1 387.274 3.086 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cncc(F)c1 ZINC000512892040 566565920 /nfs/dbraw/zinc/56/59/20/566565920.db2.gz UDGFMISYBWOZIX-JTQLQIEISA-N 0 1 392.283 3.157 20 0 GGADMN COc1cc(Br)c(CNC2(C(=O)N(C)C)CCCCC2)cc1OC ZINC000449460625 566566049 /nfs/dbraw/zinc/56/60/49/566566049.db2.gz NZZLEWISYRSAIP-UHFFFAOYSA-N 0 1 399.329 3.347 20 0 GGADMN COc1ccsc1CNCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512874726 566565988 /nfs/dbraw/zinc/56/59/88/566565988.db2.gz SFAYAGSUJUQFCW-UHFFFAOYSA-N 0 1 395.333 3.132 20 0 GGADMN Cc1oc(Br)cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000424751412 566566117 /nfs/dbraw/zinc/56/61/17/566566117.db2.gz UNJNZBWCPODXEY-NSHDSACASA-N 0 1 379.258 3.366 20 0 GGADMN CCc1ncc(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512879310 566566785 /nfs/dbraw/zinc/56/67/85/566566785.db2.gz BTRDQQOKAMZLQG-UHFFFAOYSA-N 0 1 394.349 3.080 20 0 GGADMN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCc1c[nH]nn1 ZINC000673920448 566567512 /nfs/dbraw/zinc/56/75/12/566567512.db2.gz QPRCEGSMPFOHSL-ZDUSSCGKSA-N 0 1 375.782 3.230 20 0 GGADMN Cc1nn(C(C)C)cc1CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000466361521 566568499 /nfs/dbraw/zinc/56/84/99/566568499.db2.gz BEPBTQSXVMUZLC-KRWDZBQOSA-N 0 1 391.313 3.430 20 0 GGADMN COc1cc(Cl)ccc1CN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559752310 566568837 /nfs/dbraw/zinc/56/88/37/566568837.db2.gz FSXPVEZWKIMPAF-KRWDZBQOSA-N 0 1 380.897 3.163 20 0 GGADMN CC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1O ZINC000578949528 566569337 /nfs/dbraw/zinc/56/93/37/566569337.db2.gz CLBNVWIHWSSZKD-UHFFFAOYSA-N 0 1 375.324 3.294 20 0 GGADMN COc1cc(C)c(C[C@H](C)NCc2nn(C)cc2Br)cc1OC ZINC000449483047 566569698 /nfs/dbraw/zinc/56/96/98/566569698.db2.gz FXOMRJIIZCDKBS-LBPRGKRZSA-N 0 1 382.302 3.229 20 0 GGADMN OC[C@@H](CN[C@H](c1cccs1)c1nnc[nH]1)Cc1c(F)cccc1Cl ZINC000559766846 566569775 /nfs/dbraw/zinc/56/97/75/566569775.db2.gz NBMJXXHWZCTHBH-BDJLRTHQSA-N 0 1 380.876 3.189 20 0 GGADMN FC(F)Oc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512972690 566570269 /nfs/dbraw/zinc/57/02/69/566570269.db2.gz VNLQBHROAOIHGB-ZDUSSCGKSA-N 0 1 388.764 3.294 20 0 GGADMN Fc1ccc([C@@H](NCCOc2ncc(Cl)cc2Cl)c2nnc[nH]2)cc1 ZINC000559789697 566570711 /nfs/dbraw/zinc/57/07/11/566570711.db2.gz RCNQPBUIWAHWIK-CQSZACIVSA-N 0 1 382.226 3.404 20 0 GGADMN O=C1[C@@H](NCc2cncc(Br)c2)CCN1CCCc1ccccc1 ZINC000466371612 566570743 /nfs/dbraw/zinc/57/07/43/566570743.db2.gz AZHFFRNBOYSPKM-SFHVURJKSA-N 0 1 388.309 3.167 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NCc2ccnn2C)C1=O ZINC000512996337 566572235 /nfs/dbraw/zinc/57/22/35/566572235.db2.gz LAIVYUHRHLPFHR-MRXNPFEDSA-N 0 1 391.313 3.085 20 0 GGADMN CC[C@@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)[C@H](C)O ZINC000449542821 566572640 /nfs/dbraw/zinc/57/26/40/566572640.db2.gz NEDSZMCSKMCBQN-ZUZCIYMTSA-N 0 1 386.279 3.215 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)cc1CNCC1(S(C)(=O)=O)CCCC1 ZINC000512994328 566572545 /nfs/dbraw/zinc/57/25/45/566572545.db2.gz YOYKZRPMFPYLBK-UHFFFAOYSA-N 0 1 381.929 3.281 20 0 GGADMN NC1(c2noc(C3(c4ccc(I)cc4)CC3)n2)CCCC1 ZINC000579006982 566572713 /nfs/dbraw/zinc/57/27/13/566572713.db2.gz TVTAJMBUGSFNLA-UHFFFAOYSA-N 0 1 395.244 3.482 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000486264023 566573260 /nfs/dbraw/zinc/57/32/60/566573260.db2.gz XOVUEIAPVJMEJO-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC(C)(C)S(C)(=O)=O ZINC000674045826 566573582 /nfs/dbraw/zinc/57/35/82/566573582.db2.gz LLLIPQPNULFBOA-UHFFFAOYSA-N 0 1 383.945 3.114 20 0 GGADMN Cc1ccc(-c2ncc(CNC[C@H](N3CCOCC3)C(F)(F)F)s2)o1 ZINC000513032910 566573676 /nfs/dbraw/zinc/57/36/76/566573676.db2.gz QAVFZFJZYGLXHZ-AWEZNQCLSA-N 0 1 375.416 3.064 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OCC(C)(C)O)cc1 ZINC000674050679 566573880 /nfs/dbraw/zinc/57/38/80/566573880.db2.gz USIJOIYACXBROA-UHFFFAOYSA-N 0 1 385.869 3.299 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 ZINC000486275059 566574462 /nfs/dbraw/zinc/57/44/62/566574462.db2.gz YGBGCLHFESVLEO-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN Cc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c(Br)c1 ZINC000513022874 566574698 /nfs/dbraw/zinc/57/46/98/566574698.db2.gz YYXALSDYMWDBDY-AWEZNQCLSA-N 0 1 381.236 3.110 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1OC ZINC000449553775 566575114 /nfs/dbraw/zinc/57/51/14/566575114.db2.gz MTERESSUKJCMTO-UMVBOHGHSA-N 0 1 384.314 3.449 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c(Cl)c1 ZINC000579049430 566575178 /nfs/dbraw/zinc/57/51/78/566575178.db2.gz PIKQKJJQNFXSLY-UHFFFAOYSA-N 0 1 396.774 3.486 20 0 GGADMN O[C@@H]1CCC[C@H]1N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000674065366 566575473 /nfs/dbraw/zinc/57/54/73/566575473.db2.gz FIGGMQMPZPWNRY-HUUCEWRRSA-N 0 1 383.279 3.079 20 0 GGADMN Cc1cc(Br)cn2c(CN3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)cnc12 ZINC000449553659 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COc1cc(F)c(NS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)cc1F ZINC000675150919 566626048 /nfs/dbraw/zinc/62/60/48/566626048.db2.gz CYNMYNCPDADANJ-QMMMGPOBSA-N 0 1 390.433 3.033 20 0 GGADMN O=C(c1ccc(Cl)cc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425293864 566626704 /nfs/dbraw/zinc/62/67/04/566626704.db2.gz CIDLOYBPLBIPOO-MRVPVSSYSA-N 0 1 386.633 3.211 20 0 GGADMN O=C(c1cc(Cl)cc(Br)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425293496 566627192 /nfs/dbraw/zinc/62/71/92/566627192.db2.gz BVFJBQCTIQHWCB-MRVPVSSYSA-N 0 1 386.633 3.211 20 0 GGADMN O=C(c1ccc(Cl)cc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425293865 566628050 /nfs/dbraw/zinc/62/80/50/566628050.db2.gz CIDLOYBPLBIPOO-QMMMGPOBSA-N 0 1 386.633 3.211 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425293449 566628064 /nfs/dbraw/zinc/62/80/64/566628064.db2.gz BPAAQNGSZJKVTN-QMMMGPOBSA-N 0 1 380.813 3.165 20 0 GGADMN C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)CCCC2 ZINC000540087181 566628119 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CC(C)C1CCC(N2CCN(C(=O)c3c(Br)cnn3C)CC2)CC1 ZINC000450071080 566629943 /nfs/dbraw/zinc/62/99/43/566629943.db2.gz CEAMWNGSFOLVJF-UHFFFAOYSA-N 0 1 397.361 3.155 20 0 GGADMN COc1c(Br)cc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1Br ZINC000579686885 566630256 /nfs/dbraw/zinc/63/02/56/566630256.db2.gz NTUYNKJHDPOMFQ-SSDOTTSWSA-N 0 1 381.064 3.125 20 0 GGADMN Cc1ccc(C(C)(C)CN[C@H](C(N)=O)c2cccc(Br)c2)nc1 ZINC000629256382 566630321 /nfs/dbraw/zinc/63/03/21/566630321.db2.gz JXFOHTONNFSFSK-INIZCTEOSA-N 0 1 376.298 3.246 20 0 GGADMN COc1cc(CN[C@H](C)c2sccc2Br)ccc1OCC(N)=O ZINC000540138714 566630922 /nfs/dbraw/zinc/63/09/22/566630922.db2.gz HEUOOPVHSKTABV-SNVBAGLBSA-N 0 1 399.310 3.234 20 0 GGADMN C[C@@H](C(=O)NCc1nc2ccc(Br)cc2o1)N1CCCCCC1 ZINC000425335285 566631206 /nfs/dbraw/zinc/63/12/06/566631206.db2.gz ZMLUZVRNGQWPEN-LBPRGKRZSA-N 0 1 380.286 3.471 20 0 GGADMN COc1ccc(Cl)cc1[C@H](C)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000540144925 566631389 /nfs/dbraw/zinc/63/13/89/566631389.db2.gz AOZJYFRJCOEPBL-AWEZNQCLSA-N 0 1 382.913 3.286 20 0 GGADMN Fc1ccc(CCNCc2ncc(I)s2)cc1F ZINC000560493792 566631400 /nfs/dbraw/zinc/63/14/00/566631400.db2.gz KBDAWNCQGJHYBV-UHFFFAOYSA-N 0 1 380.201 3.358 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCc2cncc(Br)c2)cc1 ZINC000467183339 566631689 /nfs/dbraw/zinc/63/16/89/566631689.db2.gz WWSCOLNTAIKUST-GFCCVEGCSA-N 0 1 379.254 3.247 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCCCCC(=O)C1 ZINC000560483989 566631756 /nfs/dbraw/zinc/63/17/56/566631756.db2.gz MHAIARMPSVDKDY-LLVKDONJSA-N 0 1 378.270 3.481 20 0 GGADMN COc1cccc(Cl)c1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000513899631 566632433 /nfs/dbraw/zinc/63/24/33/566632433.db2.gz GSOGADAZLMRMHZ-UHFFFAOYSA-N 0 1 380.838 3.435 20 0 GGADMN Brc1ccc2c(c1)C=C(CN1CCC[C@H](n3ccnn3)C1)CO2 ZINC000425351316 566632678 /nfs/dbraw/zinc/63/26/78/566632678.db2.gz NGJBJRYJDNQODH-INIZCTEOSA-N 0 1 375.270 3.154 20 0 GGADMN COCC(C)(C)N1CCN(Cc2cc(Br)c(OC)s2)CC1 ZINC000425343884 566632911 /nfs/dbraw/zinc/63/29/11/566632911.db2.gz BQPKSCYFKBHBIM-UHFFFAOYSA-N 0 1 377.348 3.062 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@H]1CCCCO1 ZINC000467188607 566633370 /nfs/dbraw/zinc/63/33/70/566633370.db2.gz ZQTHGHXFERMXNN-RHSMWYFYSA-N 0 1 383.330 3.297 20 0 GGADMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@H]1C ZINC000486896012 566634402 /nfs/dbraw/zinc/63/44/02/566634402.db2.gz QIUZMVJGFKWUTJ-VXGBXAGGSA-N 0 1 392.297 3.258 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@H]1C ZINC000486896012 566634408 /nfs/dbraw/zinc/63/44/08/566634408.db2.gz QIUZMVJGFKWUTJ-VXGBXAGGSA-N 0 1 392.297 3.258 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@H]1C ZINC000486896012 566634413 /nfs/dbraw/zinc/63/44/13/566634413.db2.gz QIUZMVJGFKWUTJ-VXGBXAGGSA-N 0 1 392.297 3.258 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000540193302 566634452 /nfs/dbraw/zinc/63/44/52/566634452.db2.gz CBWBAEFIMINVEY-CQSZACIVSA-N 0 1 395.750 3.007 20 0 GGADMN Cc1nnc(Sc2ccc(NS(=O)(=O)c3cnc(C)n3C)c(C)c2)s1 ZINC000629287881 566634644 /nfs/dbraw/zinc/63/46/44/566634644.db2.gz BAMFPDDVNWMYKZ-UHFFFAOYSA-N 0 1 395.535 3.149 20 0 GGADMN CCCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)c(C)c1 ZINC000629287542 566634711 /nfs/dbraw/zinc/63/47/11/566634711.db2.gz PCTPVHWWYCJKCG-UHFFFAOYSA-N 0 1 377.388 3.337 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)c(F)c1 ZINC000540187638 566634986 /nfs/dbraw/zinc/63/49/86/566634986.db2.gz LWNOLKSZPCDGHP-IAQYHMDHSA-N 0 1 395.276 3.168 20 0 GGADMN CC(C)[C@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)CCO1 ZINC000579747305 566635154 /nfs/dbraw/zinc/63/51/54/566635154.db2.gz IUPMOYOVXWTYLP-SUMWQHHRSA-N 0 1 379.302 3.323 20 0 GGADMN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Br)c(C)c2)[C@@H]1SC ZINC000425374956 566635276 /nfs/dbraw/zinc/63/52/76/566635276.db2.gz YLZNDTSKZALKDB-FMKPAKJESA-N 0 1 387.343 3.195 20 0 GGADMN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Br)c(C)c2)[C@@H]1SC ZINC000425374958 566635294 /nfs/dbraw/zinc/63/52/94/566635294.db2.gz YLZNDTSKZALKDB-LZWOXQAQSA-N 0 1 387.343 3.195 20 0 GGADMN C[C@@H](c1ccccc1Br)N(C)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000560546593 566635327 /nfs/dbraw/zinc/63/53/27/566635327.db2.gz CROCOWSJSCNRQL-JTQLQIEISA-N 0 1 378.274 3.347 20 0 GGADMN COc1c(Cl)cc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1Cl ZINC000513969198 566635597 /nfs/dbraw/zinc/63/55/97/566635597.db2.gz RKLNYBVVKOSJRO-CYBMUJFWSA-N 0 1 390.311 3.480 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000560549513 566635711 /nfs/dbraw/zinc/63/57/11/566635711.db2.gz CMJHGBUBJTWRBT-QWHCGFSZSA-N 0 1 378.274 3.046 20 0 GGADMN O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652903984 566636406 /nfs/dbraw/zinc/63/64/06/566636406.db2.gz UVNFQYIPHMGLMI-UHFFFAOYSA-N 0 1 396.303 3.284 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000560555490 566637048 /nfs/dbraw/zinc/63/70/48/566637048.db2.gz MKTRFYQARSXYOJ-KBPBESRZSA-N 0 1 393.285 3.178 20 0 GGADMN CCc1cccc(Cl)c1CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000560556709 566637288 /nfs/dbraw/zinc/63/72/88/566637288.db2.gz SPEMFPOEKPTOBU-UHFFFAOYSA-N 0 1 382.913 3.061 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000540241334 566639429 /nfs/dbraw/zinc/63/94/29/566639429.db2.gz WVPNJEJVERSUDD-MGPLVRAMSA-N 0 1 389.253 3.226 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCCc1cc(Br)ccc1F ZINC000606658920 566639353 /nfs/dbraw/zinc/63/93/53/566639353.db2.gz CYDRIARNDHJDQV-MRXNPFEDSA-N 0 1 386.309 3.112 20 0 GGADMN COC(=O)c1cc(Br)ccc1NC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000486975990 566639627 /nfs/dbraw/zinc/63/96/27/566639627.db2.gz ZHUZICFRFMUXAZ-OAHLLOKOSA-N 0 1 398.301 3.040 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000606669369 566639562 /nfs/dbraw/zinc/63/95/62/566639562.db2.gz QPMCMVPERFKNDV-SJORKVTESA-N 0 1 380.330 3.418 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2scnc2C2CC2)cc1 ZINC000486969505 566639823 /nfs/dbraw/zinc/63/98/23/566639823.db2.gz PMLJCSRQTJGMRU-UHFFFAOYSA-N 0 1 379.551 3.341 20 0 GGADMN CCOC(=O)CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000486979030 566640061 /nfs/dbraw/zinc/64/00/61/566640061.db2.gz VXFRKQIEOULCHJ-NWDGAFQWSA-N 0 1 375.296 3.444 20 0 GGADMN COC(=O)c1cc(Br)ccc1NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000486975987 566640111 /nfs/dbraw/zinc/64/01/11/566640111.db2.gz ZHUZICFRFMUXAZ-HNNXBMFYSA-N 0 1 398.301 3.040 20 0 GGADMN CCc1nc(CN(Cc2cccc(Br)c2)C2CCOCC2)n[nH]1 ZINC000467299692 566640228 /nfs/dbraw/zinc/64/02/28/566640228.db2.gz VYUCUXYLHBOERR-UHFFFAOYSA-N 0 1 379.302 3.311 20 0 GGADMN CC(C)N(C)C(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301678 566640634 /nfs/dbraw/zinc/64/06/34/566640634.db2.gz QDWRBFVNUARLFD-UHFFFAOYSA-N 0 1 383.330 3.297 20 0 GGADMN CC[C@H](C)NC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299858 566640668 /nfs/dbraw/zinc/64/06/68/566640668.db2.gz NMSCLIBMANHIMH-AWEZNQCLSA-N 0 1 383.330 3.345 20 0 GGADMN CCc1cccnc1[C@H](C)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000560580762 566641311 /nfs/dbraw/zinc/64/13/11/566641311.db2.gz MNLDKMURPPIXGR-AWEZNQCLSA-N 0 1 381.929 3.235 20 0 GGADMN O=S(=O)(Nc1cnn(CCF)c1)c1cc(Cl)ccc1OC(F)(F)F ZINC000629319973 566641899 /nfs/dbraw/zinc/64/18/99/566641899.db2.gz VLOQPXTYNUDMNX-UHFFFAOYSA-N 0 1 387.742 3.205 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1cccc(Br)c1)CO2 ZINC000579824819 566642092 /nfs/dbraw/zinc/64/20/92/566642092.db2.gz WEMIPKIHBXMFJQ-RHSMWYFYSA-N 0 1 378.266 3.221 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)N(C)CCN1CCCCC1 ZINC000652989607 566642351 /nfs/dbraw/zinc/64/23/51/566642351.db2.gz MXMYZQGKKBZPRC-UHFFFAOYSA-N 0 1 375.332 3.386 20 0 GGADMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)CN1CCOCC1 ZINC000540297330 566642591 /nfs/dbraw/zinc/64/25/91/566642591.db2.gz HZXMWFHXKLBRHY-AWEZNQCLSA-N 0 1 388.339 3.365 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccccc2C)cc1O ZINC000467385232 566643698 /nfs/dbraw/zinc/64/36/98/566643698.db2.gz LQCGEEBFWZSEBY-OAHLLOKOSA-N 0 1 380.282 3.165 20 0 GGADMN Cc1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(Br)s1 ZINC000675445916 566644099 /nfs/dbraw/zinc/64/40/99/566644099.db2.gz GYJYOVMDCRRZAF-CYBMUJFWSA-N 0 1 387.343 3.146 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000606826708 566644966 /nfs/dbraw/zinc/64/49/66/566644966.db2.gz PLINTXVKTSRZBJ-OAHLLOKOSA-N 0 1 383.853 3.317 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C[C@]1(C)C(=O)[O-] ZINC000579844145 566645314 /nfs/dbraw/zinc/64/53/14/566645314.db2.gz KYPIFFVCPBIMMX-DIFFPNOSSA-N 0 1 384.270 3.153 20 0 GGADMN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2cccnc2C)cc1Br ZINC000540331086 566645349 /nfs/dbraw/zinc/64/53/49/566645349.db2.gz JIGDLIBILDQAPS-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000606828226 566646310 /nfs/dbraw/zinc/64/63/10/566646310.db2.gz MWDYQKFDGUSWRX-HNNXBMFYSA-N 0 1 383.853 3.317 20 0 GGADMN CC(C)[C@@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CCN1C ZINC000487071923 566646560 /nfs/dbraw/zinc/64/65/60/566646560.db2.gz NRSSLOBTKQRPJW-INIZCTEOSA-N 0 1 381.307 3.316 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000425478912 566647124 /nfs/dbraw/zinc/64/71/24/566647124.db2.gz NOKKKRCRWOZTII-CQSZACIVSA-N 0 1 375.847 3.152 20 0 GGADMN COC[C@@H]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000606896961 566647107 /nfs/dbraw/zinc/64/71/07/566647107.db2.gz UKVIGESUBQRWRZ-SNVBAGLBSA-N 0 1 395.219 3.375 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000560641398 566647981 /nfs/dbraw/zinc/64/79/81/566647981.db2.gz YQKIPGRNFJMPEC-WBVHZDCISA-N 0 1 380.330 3.018 20 0 GGADMN O=C(Cc1ccccc1Br)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000560677472 566648528 /nfs/dbraw/zinc/64/85/28/566648528.db2.gz VNXYTKQKXQZUOK-QGZVFWFLSA-N 0 1 389.293 3.197 20 0 GGADMN COCCn1c2ccc(Cl)cc2nc1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000540372574 566648775 /nfs/dbraw/zinc/64/87/75/566648775.db2.gz JIBGCJLRROPOTB-GASCZTMLSA-N 0 1 381.929 3.291 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000467509256 566650311 /nfs/dbraw/zinc/65/03/11/566650311.db2.gz DIUYOACEWWAKKV-YMTOWFKASA-N 0 1 382.835 3.120 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000467509253 566650483 /nfs/dbraw/zinc/65/04/83/566650483.db2.gz DIUYOACEWWAKKV-LKFCYVNXSA-N 0 1 382.835 3.120 20 0 GGADMN COCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000425503669 566651553 /nfs/dbraw/zinc/65/15/53/566651553.db2.gz JJYMZEXMJBLKHO-ZDUSSCGKSA-N 0 1 388.339 3.363 20 0 GGADMN COCC(C)(C)N1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000425509260 566651662 /nfs/dbraw/zinc/65/16/62/566651662.db2.gz TYPSPZRJWMLAFS-CYBMUJFWSA-N 0 1 388.339 3.363 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc2c(c1)CCO2 ZINC000514531434 566651821 /nfs/dbraw/zinc/65/18/21/566651821.db2.gz URDYSGXLMODIOQ-UHFFFAOYSA-N 0 1 385.221 3.421 20 0 GGADMN O=C(COCc1ccccc1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000514484087 566652022 /nfs/dbraw/zinc/65/20/22/566652022.db2.gz BJPLKWUDAIBMOB-UHFFFAOYSA-N 0 1 387.237 3.390 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1cnc(C(=O)[O-])cn1 ZINC000629379384 566652230 /nfs/dbraw/zinc/65/22/30/566652230.db2.gz XKQOSUJFZCQYEI-WCQYABFASA-N 0 1 376.254 3.315 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1cnc(C(=O)[O-])cn1 ZINC000629379383 566653396 /nfs/dbraw/zinc/65/33/96/566653396.db2.gz XKQOSUJFZCQYEI-DGCLKSJQSA-N 0 1 376.254 3.315 20 0 GGADMN CN1CCN(Cc2ccc(NC[C@H]3CCSC3)cc2Br)CC1 ZINC000487180348 566653566 /nfs/dbraw/zinc/65/35/66/566653566.db2.gz LESRLLUFVKQSFI-CQSZACIVSA-N 0 1 384.387 3.362 20 0 GGADMN CC(C)[C@H]1CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)CC[N@H+]1C ZINC000487192738 566653600 /nfs/dbraw/zinc/65/36/00/566653600.db2.gz FOJUYYPOJPDZHR-CQSZACIVSA-N 0 1 379.917 3.084 20 0 GGADMN C[C@H](CN(C)C(=O)c1cccn1-c1c(Cl)cccc1Cl)c1nn[nH]n1 ZINC000467559440 566654445 /nfs/dbraw/zinc/65/44/45/566654445.db2.gz HGDDZRIOZXPONV-SNVBAGLBSA-N 0 1 379.251 3.173 20 0 GGADMN C[N@@H+](Cc1cc2c(cc1Br)OCO2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000514609103 566655079 /nfs/dbraw/zinc/65/50/79/566655079.db2.gz FEOGPMZBNUALIV-HNNXBMFYSA-N 0 1 392.249 3.306 20 0 GGADMN O=C(NCc1nc2cc(Br)ccc2o1)[C@@H]1CCCc2[nH]cnc21 ZINC000579978597 566655578 /nfs/dbraw/zinc/65/55/78/566655578.db2.gz XEQHJICXIHTRAA-SNVBAGLBSA-N 0 1 375.226 3.050 20 0 GGADMN O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000514600502 566655790 /nfs/dbraw/zinc/65/57/90/566655790.db2.gz POORXHRNMCDTDP-FGWVZKOKSA-N 0 1 395.326 3.182 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000675695745 566659416 /nfs/dbraw/zinc/65/94/16/566659416.db2.gz KQLZIPSMEVLZMQ-IAGOWNOFSA-N 0 1 396.329 3.074 20 0 GGADMN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCCN2C)c(Br)c1 ZINC000467681230 566659641 /nfs/dbraw/zinc/65/96/41/566659641.db2.gz PSBRYSUGKCRJOI-AEFFLSMTSA-N 0 1 395.341 3.359 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000425629983 566660791 /nfs/dbraw/zinc/66/07/91/566660791.db2.gz NDOJWFBBJKMXFP-UHFFFAOYSA-N 0 1 388.281 3.163 20 0 GGADMN O=S1(=O)CCc2cc(CNCc3ccc(F)c(Br)c3)ccc21 ZINC000540623806 566661338 /nfs/dbraw/zinc/66/13/38/566661338.db2.gz GBYAVEFJQYHQKP-UHFFFAOYSA-N 0 1 384.270 3.208 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629488462 566661482 /nfs/dbraw/zinc/66/14/82/566661482.db2.gz NDMXOMGRTWKWFL-MLGOLLRUSA-N 0 1 395.297 3.279 20 0 GGADMN CN(CC1CC1)S(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000580051741 566661969 /nfs/dbraw/zinc/66/19/69/566661969.db2.gz SBVRNNRRHDGVDS-INIZCTEOSA-N 0 1 382.917 3.330 20 0 GGADMN CN(CC1CC1)S(=O)(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000580051742 566662073 /nfs/dbraw/zinc/66/20/73/566662073.db2.gz SBVRNNRRHDGVDS-MRXNPFEDSA-N 0 1 382.917 3.330 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629497822 566662089 /nfs/dbraw/zinc/66/20/89/566662089.db2.gz CBZJRBOMONDUQT-KOLCDFICSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629497822 566662097 /nfs/dbraw/zinc/66/20/97/566662097.db2.gz CBZJRBOMONDUQT-KOLCDFICSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000629497928 566662120 /nfs/dbraw/zinc/66/21/20/566662120.db2.gz FILYHWVLQPQRCT-KOLCDFICSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000629498842 566662645 /nfs/dbraw/zinc/66/26/45/566662645.db2.gz OYEHAWXINKKHBU-MWLCHTKSSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000629498835 566662743 /nfs/dbraw/zinc/66/27/43/566662743.db2.gz OYEHAWXINKKHBU-GXSJLCMTSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629497819 566662946 /nfs/dbraw/zinc/66/29/46/566662946.db2.gz CBZJRBOMONDUQT-GXSJLCMTSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629497819 566662948 /nfs/dbraw/zinc/66/29/48/566662948.db2.gz CBZJRBOMONDUQT-GXSJLCMTSA-N 0 1 378.778 3.340 20 0 GGADMN CS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)n[nH]2)ccc1Cl ZINC000487329739 566663270 /nfs/dbraw/zinc/66/32/70/566663270.db2.gz YUKYQYUBNRGSMF-UHFFFAOYSA-N 0 1 381.866 3.447 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCCC(=O)Nc2cccc(F)c2C)s1 ZINC000580066250 566663327 /nfs/dbraw/zinc/66/33/27/566663327.db2.gz USHDKCVYDZHAEW-UHFFFAOYSA-N 0 1 384.498 3.108 20 0 GGADMN C[C@@]1(CNCc2cn(-c3ccccc3Br)nn2)CCCC[C@@H]1O ZINC000514694344 566663777 /nfs/dbraw/zinc/66/37/77/566663777.db2.gz CBCKVPKJGYPSJY-IRXDYDNUSA-N 0 1 379.302 3.061 20 0 GGADMN Cn1ncc(Br)c1CNCCc1nc2ccccc2n1C(F)F ZINC000487325967 566663850 /nfs/dbraw/zinc/66/38/50/566663850.db2.gz WYNAZNGXZMGPMD-UHFFFAOYSA-N 0 1 384.228 3.260 20 0 GGADMN COc1ccc(Br)c(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000675782010 566664085 /nfs/dbraw/zinc/66/40/85/566664085.db2.gz KCKIZRCGBOGDQK-LBPRGKRZSA-N 0 1 388.269 3.284 20 0 GGADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000675757490 566664132 /nfs/dbraw/zinc/66/41/32/566664132.db2.gz KICOZXIKBXNNHC-ZDUSSCGKSA-N 0 1 385.580 3.333 20 0 GGADMN CCOc1c(Cl)cc(NC(=O)N[C@H](C)CN2CCN(C)CC2)cc1Cl ZINC000467772292 566664232 /nfs/dbraw/zinc/66/42/32/566664232.db2.gz NROQZODLIIXKKU-GFCCVEGCSA-N 0 1 389.327 3.150 20 0 GGADMN O=S1(=O)C[C@H](N[C@H]2CCc3cccc(Br)c3C2)c2ccccc21 ZINC000514743593 566666731 /nfs/dbraw/zinc/66/67/31/566666731.db2.gz JBHJDVOEGDYMEX-GUYCJALGSA-N 0 1 392.318 3.425 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1NC(N)=O ZINC000487372090 566666753 /nfs/dbraw/zinc/66/67/53/566666753.db2.gz GUWPRVZJXLSRRY-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc2nc[nH]c21 ZINC000540731026 566668304 /nfs/dbraw/zinc/66/83/04/566668304.db2.gz MWUHJLPWDLBTFB-CYBMUJFWSA-N 0 1 385.265 3.334 20 0 GGADMN COC[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 ZINC000487393075 566668543 /nfs/dbraw/zinc/66/85/43/566668543.db2.gz MTZYVYHMNUCCBO-AWEZNQCLSA-N 0 1 379.787 3.423 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1cn[nH]c1C ZINC000467816558 566668913 /nfs/dbraw/zinc/66/89/13/566668913.db2.gz GJEIFLJQZDMRNO-IAQYHMDHSA-N 0 1 381.274 3.056 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1cn[nH]c1C ZINC000467816559 566669311 /nfs/dbraw/zinc/66/93/11/566669311.db2.gz GJEIFLJQZDMRNO-NHYWBVRUSA-N 0 1 381.274 3.056 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000487422765 566671167 /nfs/dbraw/zinc/67/11/67/566671167.db2.gz WSQDNHVDBUYJCL-UHFFFAOYSA-N 0 1 383.857 3.291 20 0 GGADMN COc1ccc(CN2CC[C@@H](NCc3ccc(Cl)s3)C2=O)c(OC)c1 ZINC000580177197 566671297 /nfs/dbraw/zinc/67/12/97/566671297.db2.gz FFWFIXGUQZCAHC-OAHLLOKOSA-N 0 1 380.897 3.309 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@H](C)C(=O)N(C)C ZINC000540803371 566671476 /nfs/dbraw/zinc/67/14/76/566671476.db2.gz UENINZGOPKZYNC-CYBMUJFWSA-N 0 1 393.329 3.325 20 0 GGADMN Cc1cc(NC(=O)CSc2nnc(C)[nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000540792643 566672001 /nfs/dbraw/zinc/67/20/01/566672001.db2.gz XWEMIIPLMDNDKG-UHFFFAOYSA-N 0 1 397.291 3.067 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n1 ZINC000540792643 566672005 /nfs/dbraw/zinc/67/20/05/566672005.db2.gz XWEMIIPLMDNDKG-UHFFFAOYSA-N 0 1 397.291 3.067 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cc(Br)ccc1F ZINC000540790196 566672040 /nfs/dbraw/zinc/67/20/40/566672040.db2.gz KXVBHANVBAYQHQ-WBMJQRKESA-N 0 1 389.309 3.416 20 0 GGADMN Brc1ccc(N2CCN(CCc3noc4ccccc43)CC2)nc1 ZINC000653486532 566672140 /nfs/dbraw/zinc/67/21/40/566672140.db2.gz AOZUHPSXHWBEHA-UHFFFAOYSA-N 0 1 387.281 3.350 20 0 GGADMN COc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)c(Br)c1 ZINC000514850982 566673168 /nfs/dbraw/zinc/67/31/68/566673168.db2.gz FCYLHGDGUHVJQF-ZDUSSCGKSA-N 0 1 380.261 3.360 20 0 GGADMN NC(=O)c1ccccc1N1CC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000676045369 566673631 /nfs/dbraw/zinc/67/36/31/566673631.db2.gz YVFSVJDITYKGBV-AWEZNQCLSA-N 0 1 392.272 3.056 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2c(F)cc(Br)cc2C1 ZINC000676027341 566673821 /nfs/dbraw/zinc/67/38/21/566673821.db2.gz KSURVJAJAIZSIU-HNNXBMFYSA-N 0 1 393.260 3.457 20 0 GGADMN Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)sc1Br ZINC000676028473 566674008 /nfs/dbraw/zinc/67/40/08/566674008.db2.gz XYRACUNCWNSQNR-UHFFFAOYSA-N 0 1 399.295 3.201 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000676028320 566674081 /nfs/dbraw/zinc/67/40/81/566674081.db2.gz OPBPBTHFYZUAOC-UHFFFAOYSA-N 0 1 399.295 3.201 20 0 GGADMN C[C@@H]1CN(CCSc2nc(-c3ccccc3Br)n[nH]2)C[C@@H](C)O1 ZINC000580216854 566674199 /nfs/dbraw/zinc/67/41/99/566674199.db2.gz JQIFBGBRRZSNDK-VXGBXAGGSA-N 0 1 397.342 3.436 20 0 GGADMN C[C@@H]1CN(CCSc2nc(-c3ccccc3Br)n[nH]2)C[C@H](C)O1 ZINC000580216853 566675257 /nfs/dbraw/zinc/67/52/57/566675257.db2.gz JQIFBGBRRZSNDK-TXEJJXNPSA-N 0 1 397.342 3.436 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000676077067 566675513 /nfs/dbraw/zinc/67/55/13/566675513.db2.gz JBXHHENTVUFLIW-UHFFFAOYSA-N 0 1 382.360 3.114 20 0 GGADMN CCC(O)(CC)CN(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000629639363 566675599 /nfs/dbraw/zinc/67/55/99/566675599.db2.gz BPYITRMZYFKRCT-UHFFFAOYSA-N 0 1 380.286 3.462 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H]1OCCc2sccc21 ZINC000487518935 566677437 /nfs/dbraw/zinc/67/74/37/566677437.db2.gz KOYFGANOKYERAM-JDFRZJQESA-N 0 1 379.551 3.414 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2Br)C[C@H]1C ZINC000450497736 566677754 /nfs/dbraw/zinc/67/77/54/566677754.db2.gz FBHXFKCKHKXGIW-VXGBXAGGSA-N 0 1 385.302 3.021 20 0 GGADMN O=S(=O)(CCCC(F)(F)F)NCC1(N2CCSCC2)CCCCC1 ZINC000540874990 566677995 /nfs/dbraw/zinc/67/79/95/566677995.db2.gz BUNOMFWHNHLFDI-UHFFFAOYSA-N 0 1 388.521 3.000 20 0 GGADMN CN(C)[C@H](CNC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1)c1cccs1 ZINC000487519792 566678237 /nfs/dbraw/zinc/67/82/37/566678237.db2.gz LTIPRNMXVJBQHG-YPMHNXCESA-N 0 1 379.448 3.102 20 0 GGADMN CCOc1c(Cl)cccc1CNCCN(C)S(=O)(=O)c1cccs1 ZINC000487534946 566678920 /nfs/dbraw/zinc/67/89/20/566678920.db2.gz IWONUIBJTNBPDQ-UHFFFAOYSA-N 0 1 388.942 3.211 20 0 GGADMN COc1cc(Br)c(CNC[C@H](CO)Cc2ccco2)c(OC)c1 ZINC000676202290 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ZINC000629995627 566698666 /nfs/dbraw/zinc/69/86/66/566698666.db2.gz DVGRMHBWKUZYQM-INIZCTEOSA-N 0 1 387.705 3.366 20 0 GGADMN CO[C@H](C)CCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000541147350 566699203 /nfs/dbraw/zinc/69/92/03/566699203.db2.gz BRTKDMPQBHKQBZ-LLVKDONJSA-N 0 1 386.470 3.442 20 0 GGADMN COc1cccc(C2(CN[C@H](C(N)=O)c3cccc(Br)c3)CC2)c1 ZINC000515261232 566700604 /nfs/dbraw/zinc/70/06/04/566700604.db2.gz VPFHUGAUZFLWDQ-KRWDZBQOSA-N 0 1 389.293 3.306 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000426232739 566700957 /nfs/dbraw/zinc/70/09/57/566700957.db2.gz ORBBOJWRYNBQIY-JTQLQIEISA-N 0 1 392.668 3.111 20 0 GGADMN Cc1cccc(CNC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000468423823 566701651 /nfs/dbraw/zinc/70/16/51/566701651.db2.gz RVGGRNDHVMCFLI-HUUCEWRRSA-N 0 1 398.345 3.056 20 0 GGADMN Cc1cccc(CNC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000468423821 566701705 /nfs/dbraw/zinc/70/17/05/566701705.db2.gz RVGGRNDHVMCFLI-GASCZTMLSA-N 0 1 398.345 3.056 20 0 GGADMN C[C@@H](CC1CCOCC1)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468467839 566702526 /nfs/dbraw/zinc/70/25/26/566702526.db2.gz CYSURFFVMDJYNQ-SUMWQHHRSA-N 0 1 383.330 3.360 20 0 GGADMN Cc1cc(C)cc(OC[C@H](O)CN(C)Cc2cc(Br)cn2C)c1 ZINC000468469601 566702657 /nfs/dbraw/zinc/70/26/57/566702657.db2.gz WUPNUBBZKUOHCA-QGZVFWFLSA-N 0 1 381.314 3.276 20 0 GGADMN COc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)sc1Br ZINC000468465166 566703022 /nfs/dbraw/zinc/70/30/22/566703022.db2.gz CIKDTVHGFKXRKW-LBPRGKRZSA-N 0 1 375.332 3.369 20 0 GGADMN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)C1CCOCC1 ZINC000450750809 566703106 /nfs/dbraw/zinc/70/31/06/566703106.db2.gz DECNWTDCWQETPY-NSHDSACASA-N 0 1 383.564 3.152 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N=c1ncn(Cc2ccccc2)[nH]1 ZINC000608117276 566704380 /nfs/dbraw/zinc/70/43/80/566704380.db2.gz DZBDQBCJDJRVFC-UHFFFAOYSA-N 0 1 388.269 3.146 20 0 GGADMN Cc1cccn2c(CNCC(=O)Nc3ccc(Br)cc3C)cnc12 ZINC000561438279 566704868 /nfs/dbraw/zinc/70/48/68/566704868.db2.gz WPJOOAXFXYWVPW-UHFFFAOYSA-N 0 1 387.281 3.442 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676706136 566704890 /nfs/dbraw/zinc/70/48/90/566704890.db2.gz ITEGICHVQDCBJY-AUUYWEPGSA-N 0 1 382.287 3.325 20 0 GGADMN O=C(CCC(F)(F)F)N1CCC[C@@H](N=c2[nH]c(C(F)(F)F)cs2)C1 ZINC000561436227 566705129 /nfs/dbraw/zinc/70/51/29/566705129.db2.gz VHQFLYHDEDZQHI-MRVPVSSYSA-N 0 1 375.338 3.329 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1cccc(Br)c1F)c1ccc(C)o1 ZINC000541213734 566705188 /nfs/dbraw/zinc/70/51/88/566705188.db2.gz YGFUORDKEXHFTD-LLVKDONJSA-N 0 1 392.246 3.156 20 0 GGADMN COc1c(Cl)cc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1Cl ZINC000653961369 566705774 /nfs/dbraw/zinc/70/57/74/566705774.db2.gz ZVUPUSAEZNEGEZ-LLVKDONJSA-N 0 1 386.239 3.293 20 0 GGADMN CC(C)[C@@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)CCN1C ZINC000488044780 566705889 /nfs/dbraw/zinc/70/58/89/566705889.db2.gz SLMXJPDTIBIGOG-LBPRGKRZSA-N 0 1 385.331 3.333 20 0 GGADMN COc1c(Cl)cc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1Cl ZINC000653961370 566706023 /nfs/dbraw/zinc/70/60/23/566706023.db2.gz ZVUPUSAEZNEGEZ-NSHDSACASA-N 0 1 386.239 3.293 20 0 GGADMN CC(C)[C@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)CCN1C ZINC000488044779 566706056 /nfs/dbraw/zinc/70/60/56/566706056.db2.gz SLMXJPDTIBIGOG-GFCCVEGCSA-N 0 1 385.331 3.333 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc(Br)s2)C1 ZINC000653971615 566706359 /nfs/dbraw/zinc/70/63/59/566706359.db2.gz TWXMPTUKUMIWNB-ZDUSSCGKSA-N 0 1 394.338 3.500 20 0 GGADMN CC(C)CN1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000468520144 566706766 /nfs/dbraw/zinc/70/67/66/566706766.db2.gz YWBCFYYCFLTQRP-UHFFFAOYSA-N 0 1 393.329 3.414 20 0 GGADMN Cc1ccc(Br)c(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC000654024884 566708474 /nfs/dbraw/zinc/70/84/74/566708474.db2.gz VECGAYXTXDPTJK-GFCCVEGCSA-N 0 1 380.246 3.049 20 0 GGADMN CCC1CCC(N(CCO)CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000488145953 566708999 /nfs/dbraw/zinc/70/89/99/566708999.db2.gz HKLBEXPCOKHTOB-UHFFFAOYSA-N 0 1 384.318 3.046 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654018871 566709095 /nfs/dbraw/zinc/70/90/95/566709095.db2.gz DIKIKNCCDJFOJT-CYBMUJFWSA-N 0 1 394.273 3.303 20 0 GGADMN Brc1ccccc1-n1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nn1 ZINC000561479048 566709526 /nfs/dbraw/zinc/70/95/26/566709526.db2.gz FKNJYLWPNVXBMW-KBRIMQKVSA-N 0 1 389.297 3.077 20 0 GGADMN Brc1ccccc1-n1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nn1 ZINC000561479049 566709608 /nfs/dbraw/zinc/70/96/08/566709608.db2.gz FKNJYLWPNVXBMW-XKQJLSEDSA-N 0 1 389.297 3.077 20 0 GGADMN CCN(CC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)C1CC1 ZINC000676842232 566709841 /nfs/dbraw/zinc/70/98/41/566709841.db2.gz WWJMLMCZQYXNKI-UHFFFAOYSA-N 0 1 376.298 3.299 20 0 GGADMN Cc1cc(C)c(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1Br ZINC000654041981 566709925 /nfs/dbraw/zinc/70/99/25/566709925.db2.gz JVUBNISHKPPFBE-CYBMUJFWSA-N 0 1 394.273 3.357 20 0 GGADMN Cc1nn(C)c2ncc(CN(CCO)Cc3cccc(Br)c3)cc12 ZINC000488166501 566710196 /nfs/dbraw/zinc/71/01/96/566710196.db2.gz UNEKUTJHXHYQDP-UHFFFAOYSA-N 0 1 389.297 3.034 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1NC(C)=O ZINC000608258752 566710313 /nfs/dbraw/zinc/71/03/13/566710313.db2.gz VZDFEPQVMBCXIN-UHFFFAOYSA-N 0 1 383.495 3.208 20 0 GGADMN COCCN(Cc1cncs1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000468571776 566710924 /nfs/dbraw/zinc/71/09/24/566710924.db2.gz NCHQETKQUVMQSF-UHFFFAOYSA-N 0 1 376.869 3.475 20 0 GGADMN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000676873825 566712382 /nfs/dbraw/zinc/71/23/82/566712382.db2.gz LJNJJODTYVTENK-CQSZACIVSA-N 0 1 390.281 3.379 20 0 GGADMN Cc1c(Br)ccc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1F ZINC000654054911 566712988 /nfs/dbraw/zinc/71/29/88/566712988.db2.gz XEIWOEAVNYNWPI-LLVKDONJSA-N 0 1 398.236 3.188 20 0 GGADMN COCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@@H]1CCCSC1 ZINC000468609940 566714382 /nfs/dbraw/zinc/71/43/82/566714382.db2.gz IIDLQUSYNZYYQK-GFCCVEGCSA-N 0 1 398.326 3.310 20 0 GGADMN OCCN(Cc1cccc(Br)c1)Cc1ccc2c(c1)OCCO2 ZINC000488205178 566714400 /nfs/dbraw/zinc/71/44/00/566714400.db2.gz XATMSZOAWMRFNR-UHFFFAOYSA-N 0 1 378.266 3.215 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1ccc([S@](C)=O)cc1)c1ccc(Cl)cc1 ZINC000580689385 566714819 /nfs/dbraw/zinc/71/48/19/566714819.db2.gz SCYGDBWROJIRSK-BVZFJXPGSA-N 0 1 378.925 3.039 20 0 GGADMN COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561530423 566714895 /nfs/dbraw/zinc/71/48/95/566714895.db2.gz VSAOXNRYVCVOPM-JTQLQIEISA-N 0 1 379.812 3.137 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000580695925 566715007 /nfs/dbraw/zinc/71/50/07/566715007.db2.gz DEMXKLJTPRACOE-LBPRGKRZSA-N 0 1 375.372 3.050 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC(CN2CCCCC2=O)CC1 ZINC000608366631 566715457 /nfs/dbraw/zinc/71/54/57/566715457.db2.gz MIAQNVXPGLRHIC-UHFFFAOYSA-N 0 1 395.297 3.019 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c(F)cc1Br ZINC000654084330 566715521 /nfs/dbraw/zinc/71/55/21/566715521.db2.gz ORTCXHCDUIHHNT-GFCCVEGCSA-N 0 1 398.236 3.188 20 0 GGADMN COC(=O)c1occc1CN[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426558601 566716716 /nfs/dbraw/zinc/71/67/16/566716716.db2.gz JIKSTDQQUQHYKU-AWEZNQCLSA-N 0 1 379.254 3.197 20 0 GGADMN C[C@H]1CN(CCCC(=O)c2ccc(Br)cc2)C[C@]2(CCOC2)O1 ZINC000450895770 566716809 /nfs/dbraw/zinc/71/68/09/566716809.db2.gz LUHUWEGPEOAZCM-KSSFIOAISA-N 0 1 382.298 3.292 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450893305 566716982 /nfs/dbraw/zinc/71/69/82/566716982.db2.gz BLBNOLWDQRVKHY-RNCFNFMXSA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000450893305 566716987 /nfs/dbraw/zinc/71/69/87/566716987.db2.gz BLBNOLWDQRVKHY-RNCFNFMXSA-N 0 1 386.235 3.176 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 ZINC000608380683 566717315 /nfs/dbraw/zinc/71/73/15/566717315.db2.gz UWWQAZLQNUGJPL-MQIPJXDCSA-N 0 1 377.286 3.027 20 0 GGADMN COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561539491 566717234 /nfs/dbraw/zinc/71/72/34/566717234.db2.gz COTZAMCQIGCZRE-PSLIRLAXSA-N 0 1 381.828 3.018 20 0 GGADMN C[C@@H]1CN(CCCC(=O)c2ccc(Br)cc2)C[C@@]2(CCOC2)O1 ZINC000450895772 566717634 /nfs/dbraw/zinc/71/76/34/566717634.db2.gz LUHUWEGPEOAZCM-RDTXWAMCSA-N 0 1 382.298 3.292 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 ZINC000608380684 566717690 /nfs/dbraw/zinc/71/76/90/566717690.db2.gz UWWQAZLQNUGJPL-WQGACYEGSA-N 0 1 377.286 3.027 20 0 GGADMN CC1(C)C[C@H](O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000654119511 566718253 /nfs/dbraw/zinc/71/82/53/566718253.db2.gz SCFQVEKXDZHGBM-CQSZACIVSA-N 0 1 392.297 3.462 20 0 GGADMN COCCN(Cc1nc2c(s1)CN(C(C)C)CC2)Cc1scnc1C ZINC000426577602 566718802 /nfs/dbraw/zinc/71/88/02/566718802.db2.gz DGURTOIPAUIKOP-UHFFFAOYSA-N 0 1 380.583 3.323 20 0 GGADMN COC(=O)c1coc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000426581089 566719208 /nfs/dbraw/zinc/71/92/08/566719208.db2.gz SLDRASDWVKRLTK-CQSZACIVSA-N 0 1 379.254 3.197 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)N(C)Cc2ccc(Br)cc2)cn1 ZINC000426588087 566719306 /nfs/dbraw/zinc/71/93/06/566719306.db2.gz NVVTXRFYNXNXAF-UHFFFAOYSA-N 0 1 388.269 3.328 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000608499888 566719586 /nfs/dbraw/zinc/71/95/86/566719586.db2.gz IKPCHKFXAWACPE-HNNXBMFYSA-N 0 1 390.325 3.027 20 0 GGADMN Oc1cccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1Br ZINC000580759953 566720944 /nfs/dbraw/zinc/72/09/44/566720944.db2.gz NDSYBYMJOWLCQV-OCCSQVGLSA-N 0 1 394.269 3.425 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450913737 566720892 /nfs/dbraw/zinc/72/08/92/566720892.db2.gz ZFEQNCOGQTZREW-GXFFZTMASA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450913737 566720894 /nfs/dbraw/zinc/72/08/94/566720894.db2.gz ZFEQNCOGQTZREW-GXFFZTMASA-N 0 1 386.235 3.176 20 0 GGADMN FC(F)(F)CN1CC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000541386079 566721397 /nfs/dbraw/zinc/72/13/97/566721397.db2.gz CNTUAWMYTXBSME-JTQLQIEISA-N 0 1 394.228 3.300 20 0 GGADMN CCc1nc(C[NH2+]Cc2cccc(Br)c2OC)ccc1C(=O)[O-] ZINC000426645746 566722148 /nfs/dbraw/zinc/72/21/48/566722148.db2.gz FZOMAHXIGKJCLV-UHFFFAOYSA-N 0 1 379.254 3.403 20 0 GGADMN O=S(=O)(NCCN[C@H]1CCc2c1cc(F)cc2F)c1cccc(Cl)c1 ZINC000677042862 566722393 /nfs/dbraw/zinc/72/23/93/566722393.db2.gz KWEINPFMWRKTDI-KRWDZBQOSA-N 0 1 386.851 3.174 20 0 GGADMN CN(C)S(=O)(=O)c1cccc2c1CCN(CCc1ccc(Cl)cc1)C2 ZINC000450927626 566722501 /nfs/dbraw/zinc/72/25/01/566722501.db2.gz DFVDQOOVVGSNSB-UHFFFAOYSA-N 0 1 378.925 3.191 20 0 GGADMN CC(=O)NCCN(Cc1ccc(Br)s1)CC1CCC(=O)CC1 ZINC000450924905 566722584 /nfs/dbraw/zinc/72/25/84/566722584.db2.gz VZOMPHSSLIKWMN-UHFFFAOYSA-N 0 1 387.343 3.208 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(SC)cc1)OCCO2 ZINC000488364125 566722823 /nfs/dbraw/zinc/72/28/23/566722823.db2.gz GYWJIYXNVCDMOX-UHFFFAOYSA-N 0 1 381.475 3.379 20 0 GGADMN CC(=O)Nc1ccccc1CN(CCO)Cc1cccc(Br)c1 ZINC000488379952 566723244 /nfs/dbraw/zinc/72/32/44/566723244.db2.gz OCTIKNGMPNSCQX-UHFFFAOYSA-N 0 1 377.282 3.402 20 0 GGADMN COc1cc(C[NH2+]Cc2nc(C(=O)[O-])cs2)ccc1OCC(F)(F)F ZINC000426675195 566723340 /nfs/dbraw/zinc/72/33/40/566723340.db2.gz QAUHNWRRWIOKJM-UHFFFAOYSA-N 0 1 376.356 3.081 20 0 GGADMN CCN(C)c1ccc(CN(CCO)Cc2cccc(Br)c2)cn1 ZINC000488369832 566723501 /nfs/dbraw/zinc/72/35/01/566723501.db2.gz TWRFIIRPDVWOIN-UHFFFAOYSA-N 0 1 378.314 3.295 20 0 GGADMN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)c(F)c1 ZINC000450954854 566723885 /nfs/dbraw/zinc/72/38/85/566723885.db2.gz DJBCAGYBPHWQKY-UHFFFAOYSA-N 0 1 386.470 3.087 20 0 GGADMN O=C([O-])c1coc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000426700377 566724069 /nfs/dbraw/zinc/72/40/69/566724069.db2.gz QIVSXPFDBHDEFN-UHFFFAOYSA-N 0 1 382.210 3.191 20 0 GGADMN Cc1ccc(Br)cc1-c1n[n-]c(=N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000468739068 566724454 /nfs/dbraw/zinc/72/44/54/566724454.db2.gz OJSCPNJVBPMQHL-GFCCVEGCSA-N 0 1 390.310 3.321 20 0 GGADMN COC(=O)CCC1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000580805889 566724797 /nfs/dbraw/zinc/72/47/97/566724797.db2.gz LXGDRIAZSSGQBH-UHFFFAOYSA-N 0 1 380.286 3.262 20 0 GGADMN COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000580813076 566725027 /nfs/dbraw/zinc/72/50/27/566725027.db2.gz ALCFVSLRXUMAAG-UHFFFAOYSA-N 0 1 386.876 3.491 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3sccc3F)cc2)C1 ZINC000450963100 566725196 /nfs/dbraw/zinc/72/51/96/566725196.db2.gz BAANFKPWZWYUOH-CYBMUJFWSA-N 0 1 384.498 3.409 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2ncc(C)cc2Br)c(F)c1 ZINC000677134955 566725515 /nfs/dbraw/zinc/72/55/15/566725515.db2.gz FYVDPJLOTVISOO-UHFFFAOYSA-N 0 1 393.209 3.240 20 0 GGADMN C[C@H]1CSCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000488403861 566725624 /nfs/dbraw/zinc/72/56/24/566725624.db2.gz ZXGLDUZFFDGCKG-CQSZACIVSA-N 0 1 385.371 3.471 20 0 GGADMN COc1cc(C)c(CN(CCO)Cc2cccc(Br)c2)c(C)n1 ZINC000488401107 566725749 /nfs/dbraw/zinc/72/57/49/566725749.db2.gz VRKBJSCOIYVQJR-UHFFFAOYSA-N 0 1 379.298 3.464 20 0 GGADMN CN(C[C@H]1CCCN(CCc2c(Cl)cccc2Cl)C1)S(C)(=O)=O ZINC000450969049 566725831 /nfs/dbraw/zinc/72/58/31/566725831.db2.gz AUCYYCZTSNEDBD-CYBMUJFWSA-N 0 1 379.353 3.139 20 0 GGADMN OCCN(Cc1ccc(N2CCCC2)nc1)Cc1cccc(Br)c1 ZINC000488408570 566726061 /nfs/dbraw/zinc/72/60/61/566726061.db2.gz PUYLVQDDFNMCAZ-UHFFFAOYSA-N 0 1 390.325 3.439 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000630397583 566726492 /nfs/dbraw/zinc/72/64/92/566726492.db2.gz QARGUNAEEBIWAQ-MRXNPFEDSA-N 0 1 385.295 3.380 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000468765525 566726787 /nfs/dbraw/zinc/72/67/87/566726787.db2.gz AKKGKSILGHOZFL-UHFFFAOYSA-N 0 1 380.275 3.288 20 0 GGADMN CSC1(CNC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000468750663 566726985 /nfs/dbraw/zinc/72/69/85/566726985.db2.gz AAUSBQNXYZTVHH-UHFFFAOYSA-N 0 1 396.559 3.483 20 0 GGADMN CSc1n[nH]c(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)n1 ZINC000488432970 566726990 /nfs/dbraw/zinc/72/69/90/566726990.db2.gz UWKSYTCRYSQKJB-UHFFFAOYSA-N 0 1 398.217 3.336 20 0 GGADMN C[C@@H]1c2cccc(Br)c2CCN1C(=O)CCCCc1cn[nH]n1 ZINC000468752688 566727179 /nfs/dbraw/zinc/72/71/79/566727179.db2.gz ADXHJBDHVLREGF-GFCCVEGCSA-N 0 1 377.286 3.426 20 0 GGADMN C[C@H]1c2cccc(Br)c2CCN1C(=O)CCCCc1cn[nH]n1 ZINC000468752930 566727286 /nfs/dbraw/zinc/72/72/86/566727286.db2.gz ADXHJBDHVLREGF-LBPRGKRZSA-N 0 1 377.286 3.426 20 0 GGADMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc(I)c[nH]1 ZINC000561670380 566727719 /nfs/dbraw/zinc/72/77/19/566727719.db2.gz OTXDBGJKFILEKV-UHFFFAOYSA-N 0 1 380.544 3.370 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)ccc1OC ZINC000515671542 566727748 /nfs/dbraw/zinc/72/77/48/566727748.db2.gz MTOZUUUSBZMUPI-UHFFFAOYSA-N 0 1 384.479 3.171 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccccc1 ZINC000426765799 566727764 /nfs/dbraw/zinc/72/77/64/566727764.db2.gz SIIDUMKVYOIOER-INIZCTEOSA-N 0 1 377.231 3.490 20 0 GGADMN CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000561661812 566727951 /nfs/dbraw/zinc/72/79/51/566727951.db2.gz BEHVSIPXDLKFPG-NSHDSACASA-N 0 1 386.832 3.268 20 0 GGADMN C[C@](NCCOc1cccc(Br)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000426774410 566728655 /nfs/dbraw/zinc/72/86/55/566728655.db2.gz UPKWZTBIXYFFAY-QGZVFWFLSA-N 0 1 397.700 3.472 20 0 GGADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2ccccc2Br)cn1 ZINC000488474720 566728860 /nfs/dbraw/zinc/72/88/60/566728860.db2.gz YPOUYNWLTJLMJB-XZOAIXRZSA-N 0 1 391.313 3.336 20 0 GGADMN CC(C)(CO)[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1cccs1 ZINC000580862254 566728764 /nfs/dbraw/zinc/72/87/64/566728764.db2.gz OBZAILFNRQCWSX-GOSISDBHSA-N 0 1 380.941 3.410 20 0 GGADMN O=S(=O)(NCc1ccccc1OCC(F)(F)F)c1c(F)cccc1F ZINC000515720001 566729230 /nfs/dbraw/zinc/72/92/30/566729230.db2.gz OGVLLTVSNNSPSY-UHFFFAOYSA-N 0 1 381.322 3.384 20 0 GGADMN CCN1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@H]1C ZINC000677181975 566729296 /nfs/dbraw/zinc/72/92/96/566729296.db2.gz AKXPEWINWCUXHJ-LLVKDONJSA-N 0 1 378.826 3.108 20 0 GGADMN CC(C)(CO)[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1cccs1 ZINC000580862255 566729459 /nfs/dbraw/zinc/72/94/59/566729459.db2.gz OBZAILFNRQCWSX-SFHVURJKSA-N 0 1 380.941 3.410 20 0 GGADMN CCN1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)C[C@@H]1C ZINC000677177430 566729662 /nfs/dbraw/zinc/72/96/62/566729662.db2.gz NNNBOWPDGIASTA-AWEZNQCLSA-N 0 1 375.563 3.494 20 0 GGADMN COCCNS(=O)(=O)c1ccc(CN[C@@H](C)c2csc(Cl)c2)cc1 ZINC000468782090 566730022 /nfs/dbraw/zinc/73/00/22/566730022.db2.gz BYEWMARYHTVDCG-LBPRGKRZSA-N 0 1 388.942 3.177 20 0 GGADMN CCCc1sc(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)cc1CC ZINC000561695589 566730251 /nfs/dbraw/zinc/73/02/51/566730251.db2.gz QESPPPLIHMZTEV-UHFFFAOYSA-N 0 1 382.507 3.129 20 0 GGADMN O=S(=O)(Cc1c(F)cccc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000450992755 566730470 /nfs/dbraw/zinc/73/04/70/566730470.db2.gz ZNJANCNJUYWEFG-OAHLLOKOSA-N 0 1 382.888 3.173 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1Cl ZINC000561694902 566731109 /nfs/dbraw/zinc/73/11/09/566731109.db2.gz HPMZUXUGRGTZCQ-UHFFFAOYSA-N 0 1 387.244 3.434 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000468794496 566731463 /nfs/dbraw/zinc/73/14/63/566731463.db2.gz BRXDUYPHXOIJKW-UHFFFAOYSA-N 0 1 380.239 3.248 20 0 GGADMN Cc1n[nH]c([C@H]2CCN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)n1 ZINC000580879444 566731437 /nfs/dbraw/zinc/73/14/37/566731437.db2.gz XLMJDUKHUVRMNB-XHDPSFHLSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1nnc([C@H]2CCN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)[nH]1 ZINC000580879444 566731443 /nfs/dbraw/zinc/73/14/43/566731443.db2.gz XLMJDUKHUVRMNB-XHDPSFHLSA-N 0 1 380.279 3.015 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C[C@H]1C ZINC000677201213 566731644 /nfs/dbraw/zinc/73/16/44/566731644.db2.gz FPVFXAHAPFYLNZ-CQSZACIVSA-N 0 1 382.961 3.451 20 0 GGADMN O[C@@H](CCc1ccccc1)CNCc1cc2c(cc1Br)OCO2 ZINC000541535741 566731951 /nfs/dbraw/zinc/73/19/51/566731951.db2.gz RKKZIONWSSXDLT-HNNXBMFYSA-N 0 1 378.266 3.261 20 0 GGADMN CO[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H]1OC ZINC000488511228 566732030 /nfs/dbraw/zinc/73/20/30/566732030.db2.gz GJMXZXKIXYBJMH-GASCZTMLSA-N 0 1 383.311 3.418 20 0 GGADMN O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654406532 566732533 /nfs/dbraw/zinc/73/25/33/566732533.db2.gz ZXLFZYSOWGNQJK-ZDUSSCGKSA-N 0 1 384.267 3.005 20 0 GGADMN O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1cccc(Br)c1Cl ZINC000630453616 566732680 /nfs/dbraw/zinc/73/26/80/566732680.db2.gz AUBLQILMJKUSDD-CYBMUJFWSA-N 0 1 375.694 3.131 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000515758888 566732803 /nfs/dbraw/zinc/73/28/03/566732803.db2.gz UIUOMYQXQDXNSQ-CHWSQXEVSA-N 0 1 378.460 3.140 20 0 GGADMN Fc1cc2nc(N3CCN([C@H]4CCOC4)CC3)ccc2cc1Br ZINC000677238403 566732923 /nfs/dbraw/zinc/73/29/23/566732923.db2.gz VDGNKHROMKKTND-ZDUSSCGKSA-N 0 1 380.261 3.047 20 0 GGADMN O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CCN(CC2CC2)CC1 ZINC000426850810 566734111 /nfs/dbraw/zinc/73/41/11/566734111.db2.gz KJBLXLMRCNFCDY-OAHLLOKOSA-N 0 1 396.354 3.333 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000654468046 566734836 /nfs/dbraw/zinc/73/48/36/566734836.db2.gz MFISMODOQKLLHX-NSHDSACASA-N 0 1 387.281 3.417 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CSC)CC1 ZINC000488556896 566734934 /nfs/dbraw/zinc/73/49/34/566734934.db2.gz DIMUBTJBMNSHGJ-IAGOWNOFSA-N 0 1 387.387 3.242 20 0 GGADMN COc1ccncc1C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000515856141 566735646 /nfs/dbraw/zinc/73/56/46/566735646.db2.gz OZQODMTVEXIADP-UHFFFAOYSA-N 0 1 379.254 3.330 20 0 GGADMN COc1ccncc1C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000515856141 566735649 /nfs/dbraw/zinc/73/56/49/566735649.db2.gz OZQODMTVEXIADP-UHFFFAOYSA-N 0 1 379.254 3.330 20 0 GGADMN CCOC(=O)c1cc(Br)ccc1NS(=O)(=O)CCCCF ZINC000451013263 566736512 /nfs/dbraw/zinc/73/65/12/566736512.db2.gz GAVAMLKOASYXOA-UHFFFAOYSA-N 0 1 382.251 3.117 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)NCc3n[nH]c(C(C)C)n3)cc21 ZINC000580934547 566736440 /nfs/dbraw/zinc/73/64/40/566736440.db2.gz JXJIUYIPCNNUAZ-UHFFFAOYSA-N 0 1 392.257 3.111 20 0 GGADMN O[C@@H](CN=c1[nH]c(C(F)(F)F)cs1)COc1ccc(C(F)(F)F)cc1 ZINC000541591537 566736972 /nfs/dbraw/zinc/73/69/72/566736972.db2.gz LTSDSRJQXOXPHE-VIFPVBQESA-N 0 1 386.317 3.454 20 0 GGADMN O[C@H](COCC(F)(F)F)CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451023895 566737320 /nfs/dbraw/zinc/73/73/20/566737320.db2.gz VTLAAMOPTKIGSB-FZMZJTMJSA-N 0 1 377.794 3.293 20 0 GGADMN CCN(C[C@@H]1CCCO1)[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000488669415 566739519 /nfs/dbraw/zinc/73/95/19/566739519.db2.gz JIFWSBILHJJMQH-PBHICJAKSA-N 0 1 383.330 3.297 20 0 GGADMN CCOC(=O)[C@H]1CCCc2sc(NS(=O)(=O)c3ccccc3C)nc21 ZINC000451033283 566739444 /nfs/dbraw/zinc/73/94/44/566739444.db2.gz SVOVLBCAQOJSCP-LBPRGKRZSA-N 0 1 380.491 3.235 20 0 GGADMN COC(=O)[C@H](C)CN(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000608864975 566739595 /nfs/dbraw/zinc/73/95/95/566739595.db2.gz YTLRLGFDGVTJNX-GFCCVEGCSA-N 0 1 387.307 3.225 20 0 GGADMN COCCOCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000561792629 566740051 /nfs/dbraw/zinc/74/00/51/566740051.db2.gz HSARWHFRCXVJSD-STQMWFEESA-N 0 1 377.312 3.154 20 0 GGADMN COCCOCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000561792626 566740637 /nfs/dbraw/zinc/74/06/37/566740637.db2.gz HSARWHFRCXVJSD-CHWSQXEVSA-N 0 1 377.312 3.154 20 0 GGADMN CCOC(=O)[C@@H]1CCCc2sc(NS(=O)(=O)c3ccc(F)cc3)nc21 ZINC000451035163 566740679 /nfs/dbraw/zinc/74/06/79/566740679.db2.gz ZSODSRXTCQVFIP-GFCCVEGCSA-N 0 1 384.454 3.066 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000468891740 566741128 /nfs/dbraw/zinc/74/11/28/566741128.db2.gz IEQZVBQWUACUIV-UHFFFAOYSA-N 0 1 378.219 3.271 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1Br ZINC000468902327 566741592 /nfs/dbraw/zinc/74/15/92/566741592.db2.gz HDJHXTYMOZNGIO-ZDUSSCGKSA-N 0 1 395.301 3.203 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC[C@@H]1CCCSC1 ZINC000580996654 566741585 /nfs/dbraw/zinc/74/15/85/566741585.db2.gz JIKMPNUGPYLXLN-JTQLQIEISA-N 0 1 383.315 3.268 20 0 GGADMN NCc1nccn1CCCOc1c(Br)cccc1Br ZINC000630583263 566742195 /nfs/dbraw/zinc/74/21/95/566742195.db2.gz CKJGEOVAZBOEGP-UHFFFAOYSA-N 0 1 389.091 3.336 20 0 GGADMN NC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000468915937 566742841 /nfs/dbraw/zinc/74/28/41/566742841.db2.gz ITCBHRJDXTZFSS-YUMQZZPRSA-N 0 1 375.650 3.038 20 0 GGADMN O=S(=O)(CCCCF)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000451054291 566744040 /nfs/dbraw/zinc/74/40/40/566744040.db2.gz IKQVJLJTFXWVCQ-UHFFFAOYSA-N 0 1 376.251 3.126 20 0 GGADMN COCCCn1c(=O)[nH]nc1SCc1cc(Br)cc(F)c1F ZINC000516073196 566744350 /nfs/dbraw/zinc/74/43/50/566744350.db2.gz NNXOQSJDJQIXHJ-UHFFFAOYSA-N 0 1 394.241 3.353 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000427079823 566744809 /nfs/dbraw/zinc/74/48/09/566744809.db2.gz DGCFAEPHRFVUBX-DQYPLSBCSA-N 0 1 381.314 3.268 20 0 GGADMN CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654637176 566745938 /nfs/dbraw/zinc/74/59/38/566745938.db2.gz WAMXHGLENRRPPU-LBPRGKRZSA-N 0 1 384.267 3.305 20 0 GGADMN C[C@@H]1[C@H](N2CCCC2)CCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000561896225 566746396 /nfs/dbraw/zinc/74/63/96/566746396.db2.gz NUIWVWFAQXYCCE-CZUORRHYSA-N 0 1 391.364 3.326 20 0 GGADMN O=C(c1ccc2cncc(Br)c2n1)N1CCN(C2CCCC2)CC1 ZINC000630690738 566746981 /nfs/dbraw/zinc/74/69/81/566746981.db2.gz FOTIHDLBKMXVMP-UHFFFAOYSA-N 0 1 389.297 3.093 20 0 GGADMN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000488786926 566747439 /nfs/dbraw/zinc/74/74/39/566747439.db2.gz UPJHUVBSQXTBMV-GFCCVEGCSA-N 0 1 382.291 3.269 20 0 GGADMN Cc1cc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1C(F)(F)F ZINC000516119002 566747434 /nfs/dbraw/zinc/74/74/34/566747434.db2.gz IXYCPUJPMHIROP-JTQLQIEISA-N 0 1 376.404 3.295 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCO[C@H](c3ccc(Br)cc3)C2)nc1C ZINC000677478268 566748680 /nfs/dbraw/zinc/74/86/80/566748680.db2.gz SKNFASTYNGAUDX-INIZCTEOSA-N 0 1 392.297 3.299 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cnc1C ZINC000427118591 566748811 /nfs/dbraw/zinc/74/88/11/566748811.db2.gz 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CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451293851 566791704 /nfs/dbraw/zinc/79/17/04/566791704.db2.gz FYDXASDQWVDCCG-GFCCVEGCSA-N 0 1 390.958 3.190 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1ncc(Br)cc1F ZINC000631235124 566792418 /nfs/dbraw/zinc/79/24/18/566792418.db2.gz MEBLPHAGFPRODR-KRWDZBQOSA-N 0 1 383.261 3.075 20 0 GGADMN CCN(C)C(=O)[C@@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000451308453 566792478 /nfs/dbraw/zinc/79/24/78/566792478.db2.gz DQOFKFOUPOBWCK-KRWDZBQOSA-N 0 1 388.339 3.044 20 0 GGADMN C[C@H](CNc1ccccc1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000581606129 566792873 /nfs/dbraw/zinc/79/28/73/566792873.db2.gz SJNRDHAFLZRMHJ-ACJLOTCBSA-N 0 1 376.298 3.240 20 0 GGADMN C[C@@H](CNc1ccccc1)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000581606131 566793139 /nfs/dbraw/zinc/79/31/39/566793139.db2.gz SJNRDHAFLZRMHJ-SCLBCKFNSA-N 0 1 376.298 3.240 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(Br)c1OC ZINC000516933065 566793380 /nfs/dbraw/zinc/79/33/80/566793380.db2.gz ORPKQQQZBABJGL-NVBFEUDRSA-N 0 1 384.270 3.151 20 0 GGADMN CCN(C)C(=O)[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C(C)C ZINC000451311463 566793347 /nfs/dbraw/zinc/79/33/47/566793347.db2.gz JLVVYDZUFYYLEN-PXAZEXFGSA-N 0 1 388.339 3.263 20 0 GGADMN Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000631241645 566793509 /nfs/dbraw/zinc/79/35/09/566793509.db2.gz SJIPSGLFNGAQFP-SNVBAGLBSA-N 0 1 376.869 3.415 20 0 GGADMN Cc1nnc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000427750575 566794160 /nfs/dbraw/zinc/79/41/60/566794160.db2.gz ZJCNMIKYMIGPNB-UHFFFAOYSA-N 0 1 378.255 3.276 20 0 GGADMN CCN(C)C(=O)[C@@H](NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000451313255 566794529 /nfs/dbraw/zinc/79/45/29/566794529.db2.gz MKDHXBJRUXASJS-SJCJKPOMSA-N 0 1 388.339 3.263 20 0 GGADMN Cc1nc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)n(-c2ccccc2)n1 ZINC000562487530 566794730 /nfs/dbraw/zinc/79/47/30/566794730.db2.gz BSCPSISXGZPJOQ-UHFFFAOYSA-N 0 1 397.287 3.246 20 0 GGADMN C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)N1CCCC1 ZINC000562468099 566794932 /nfs/dbraw/zinc/79/49/32/566794932.db2.gz XWBSRYHQMBUQRW-LLVKDONJSA-N 0 1 395.750 3.006 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2ccc3c(n2)CCCC3=O)cc1Cl ZINC000516951509 566795048 /nfs/dbraw/zinc/79/50/48/566795048.db2.gz KYUZGHZHFVTFPL-UHFFFAOYSA-N 0 1 380.853 3.372 20 0 GGADMN COCC[C@@]1(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCOC1 ZINC000562493433 566796552 /nfs/dbraw/zinc/79/65/52/566796552.db2.gz RVXWEGXNURZIAE-OAHLLOKOSA-N 0 1 380.794 3.083 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[nH]1 ZINC000581684619 566797476 /nfs/dbraw/zinc/79/74/76/566797476.db2.gz VPUYMXRRBIRXFQ-CQSZACIVSA-N 0 1 395.326 3.408 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000581684619 566797481 /nfs/dbraw/zinc/79/74/81/566797481.db2.gz VPUYMXRRBIRXFQ-CQSZACIVSA-N 0 1 395.326 3.408 20 0 GGADMN O=C(NCCc1c[nH]c2ccc(Br)cc12)[C@H]1CCCc2[nH]ncc21 ZINC000542428387 566798918 /nfs/dbraw/zinc/79/89/18/566798918.db2.gz ZFIXHYRVCNUOGM-ZDUSSCGKSA-N 0 1 387.281 3.432 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000489625492 566799039 /nfs/dbraw/zinc/79/90/39/566799039.db2.gz ZSNJCPMBTMVGPY-KBPBESRZSA-N 0 1 386.323 3.418 20 0 GGADMN Brc1cccc2nc(CNc3ncnc4c3ncn4C3CC3)[nH]c21 ZINC000562540561 566799471 /nfs/dbraw/zinc/79/94/71/566799471.db2.gz IQHBRKNZKHOGLI-UHFFFAOYSA-N 0 1 384.241 3.412 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)c3conc3C(C)(C)N)s2)cs1 ZINC000655422774 566800082 /nfs/dbraw/zinc/80/00/82/566800082.db2.gz FEHBZBBWQYCAGJ-UHFFFAOYSA-N 0 1 376.507 3.334 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnn(C(C)(C)C)n2)n1 ZINC000655461896 566801044 /nfs/dbraw/zinc/80/10/44/566801044.db2.gz HDOSUFPPILBRCE-UHFFFAOYSA-N 0 1 379.877 3.168 20 0 GGADMN CC(C)N1CCN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000542448456 566801603 /nfs/dbraw/zinc/80/16/03/566801603.db2.gz SIQZBYSTIWNJMN-UHFFFAOYSA-N 0 1 393.329 3.209 20 0 GGADMN O=C(CCc1c[nH]nn1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000631418811 566801866 /nfs/dbraw/zinc/80/18/66/566801866.db2.gz JOUISYDEPHJJBF-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN O=C(CCc1cnn[nH]1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000631418811 566801872 /nfs/dbraw/zinc/80/18/72/566801872.db2.gz JOUISYDEPHJJBF-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN CN(C)c1ncc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000655460855 566802105 /nfs/dbraw/zinc/80/21/05/566802105.db2.gz YJSKVLKWCRABMU-INIZCTEOSA-N 0 1 379.291 3.241 20 0 GGADMN CO[C@@H](C(=O)N1CCNC[C@H]1c1ccccc1)c1ccccc1Br ZINC000655478587 566802859 /nfs/dbraw/zinc/80/28/59/566802859.db2.gz WMOQDXXVNUVYDZ-ZWKOTPCHSA-N 0 1 389.293 3.310 20 0 GGADMN Cc1c([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)nnn1-c1cccc(Br)c1 ZINC000427848313 566802936 /nfs/dbraw/zinc/80/29/36/566802936.db2.gz LLNWFKBZTKUUKG-VQISRLSMSA-N 0 1 379.302 3.148 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C=C[C@H]4CCOC4)n3)n2)c1 ZINC000562563109 566803052 /nfs/dbraw/zinc/80/30/52/566803052.db2.gz IUHNBQKHGRUQKK-LWTINBJPSA-N 0 1 388.225 3.334 20 0 GGADMN C[C@H](CCc1cccn1C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000517055698 566803311 /nfs/dbraw/zinc/80/33/11/566803311.db2.gz JTIAUTBYRCKHJU-LLVKDONJSA-N 0 1 376.400 3.049 20 0 GGADMN CO[C@H](C(=O)N1CCNC[C@H]1c1ccccc1)c1ccccc1Br ZINC000655478585 566803426 /nfs/dbraw/zinc/80/34/26/566803426.db2.gz WMOQDXXVNUVYDZ-ROUUACIJSA-N 0 1 389.293 3.310 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1F ZINC000451360833 566803480 /nfs/dbraw/zinc/80/34/80/566803480.db2.gz YPYXBCDHTARGDF-UHFFFAOYSA-N 0 1 388.867 3.299 20 0 GGADMN CN(C)[C@H](CNc1ncnc2cc(F)c(Br)cc21)c1ccco1 ZINC000542469476 566804186 /nfs/dbraw/zinc/80/41/86/566804186.db2.gz JXSKRMVCUQTXJD-CQSZACIVSA-N 0 1 379.233 3.261 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)N2CCCCCC2)ccc1I ZINC000427907087 566804406 /nfs/dbraw/zinc/80/44/06/566804406.db2.gz SLWWOAWEVXREFP-LBPRGKRZSA-N 0 1 387.265 3.198 20 0 GGADMN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(Br)cn1 ZINC000517059441 566804933 /nfs/dbraw/zinc/80/49/33/566804933.db2.gz VRDKDLJDISYMNW-DNVCBOLYSA-N 0 1 391.309 3.386 20 0 GGADMN O=c1ccc(Br)cn1CCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000581768109 566805591 /nfs/dbraw/zinc/80/55/91/566805591.db2.gz FIRBPSCDAKJAED-INIZCTEOSA-N 0 1 379.302 3.245 20 0 GGADMN Cc1c([C@@H](C)NC[C@H]2CCCCS2(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000542497972 566805578 /nfs/dbraw/zinc/80/55/78/566805578.db2.gz DPHNNFSBMRTGBM-CXAGYDPISA-N 0 1 381.929 3.452 20 0 GGADMN CC1(C)C[C@H](NCc2cn(-c3ccccc3Br)nn2)C(C)(C)O1 ZINC000678581148 566805827 /nfs/dbraw/zinc/80/58/27/566805827.db2.gz UFWOQMSJTUCVRL-HNNXBMFYSA-N 0 1 379.302 3.466 20 0 GGADMN CCOC(=O)C1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCC1 ZINC000542484011 566805782 /nfs/dbraw/zinc/80/57/82/566805782.db2.gz NTMJBFYNNWPVHV-UHFFFAOYSA-N 0 1 383.279 3.397 20 0 GGADMN O=C(CCc1c[nH]nn1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000631481615 566806541 /nfs/dbraw/zinc/80/65/41/566806541.db2.gz RSCUKSPHHMNCOU-UHFFFAOYSA-N 0 1 383.279 3.362 20 0 GGADMN O=C(CCc1cnn[nH]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000631481615 566806545 /nfs/dbraw/zinc/80/65/45/566806545.db2.gz RSCUKSPHHMNCOU-UHFFFAOYSA-N 0 1 383.279 3.362 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NCCCc2cccc(Br)c2)n[nH]1 ZINC000655505680 566806720 /nfs/dbraw/zinc/80/67/20/566806720.db2.gz KAEQYIGVZJIJHY-UHFFFAOYSA-N 0 1 394.317 3.297 20 0 GGADMN Cc1c([C@H](C)N[C@H](CO)CC2CC2)nnn1-c1cccc(Br)c1 ZINC000678607466 566807006 /nfs/dbraw/zinc/80/70/06/566807006.db2.gz KGCXHTQIBPMZQC-NHYWBVRUSA-N 0 1 379.302 3.150 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000542506740 566807102 /nfs/dbraw/zinc/80/71/02/566807102.db2.gz PBZKPFPGGCJDCJ-KGLIPLIRSA-N 0 1 381.822 3.431 20 0 GGADMN Cc1ccccc1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000489727360 566807199 /nfs/dbraw/zinc/80/71/99/566807199.db2.gz GYJHSPMHXILIPP-UHFFFAOYSA-N 0 1 382.239 3.140 20 0 GGADMN O=S(=O)([N-]C[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1sccc1Cl ZINC000581823995 566807368 /nfs/dbraw/zinc/80/73/68/566807368.db2.gz RLVMKVOZLVQBJG-OCCSQVGLSA-N 0 1 388.917 3.212 20 0 GGADMN O=C(CNC[C@@H](O)COCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000517127560 566808020 /nfs/dbraw/zinc/80/80/20/566808020.db2.gz OHYARPADOYLYDV-QGZVFWFLSA-N 0 1 383.275 3.099 20 0 GGADMN Cc1c([C@H](C)N[C@H]2CCCC[C@@H]2O)nnn1-c1cccc(Br)c1 ZINC000427980943 566808331 /nfs/dbraw/zinc/80/83/31/566808331.db2.gz BIYZKQMSQXYKSJ-UVBJJODRSA-N 0 1 379.302 3.292 20 0 GGADMN COc1cc2c(cc1C[N@@H+](C)CCn1cc(Br)cn1)O[C@@H](C)C2 ZINC000581852142 566808358 /nfs/dbraw/zinc/80/83/58/566808358.db2.gz STMYXLPTTJPQFV-LBPRGKRZSA-N 0 1 380.286 3.110 20 0 GGADMN COc1cc2c(cc1CN(C)CCn1cc(Br)cn1)O[C@@H](C)C2 ZINC000581852142 566808365 /nfs/dbraw/zinc/80/83/65/566808365.db2.gz STMYXLPTTJPQFV-LBPRGKRZSA-N 0 1 380.286 3.110 20 0 GGADMN COCCCNC(=O)[C@H](C)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469733084 566809000 /nfs/dbraw/zinc/80/90/00/566809000.db2.gz HNWOYZKKAYXSJV-STQMWFEESA-N 0 1 377.312 3.234 20 0 GGADMN COCCCNC(=O)[C@H](C)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469733082 566809653 /nfs/dbraw/zinc/80/96/53/566809653.db2.gz HNWOYZKKAYXSJV-OLZOCXBDSA-N 0 1 377.312 3.234 20 0 GGADMN COCC[C@@H](NC[C@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000542532751 566809741 /nfs/dbraw/zinc/80/97/41/566809741.db2.gz KFLOKUGGEKGKNR-GOEBONIOSA-N 0 1 384.270 3.149 20 0 GGADMN C[C@@H]1CC(CCN[C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000517182126 566809841 /nfs/dbraw/zinc/80/98/41/566809841.db2.gz LEJKZENDOHXROH-UVWXRNBGSA-N 0 1 387.293 3.298 20 0 GGADMN O=C(NCCc1cc(Cl)ccc1Br)NCc1n[nH]c(C2CC2)n1 ZINC000581869574 566809945 /nfs/dbraw/zinc/80/99/45/566809945.db2.gz NJYWLRJYOLJXCS-UHFFFAOYSA-N 0 1 398.692 3.140 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(I)c1)N1CCC(CF)CC1 ZINC000451388553 566810139 /nfs/dbraw/zinc/81/01/39/566810139.db2.gz LHFLJUZZEJAEMA-NSHDSACASA-N 0 1 390.240 3.300 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)cc2)n1 ZINC000655533428 566810132 /nfs/dbraw/zinc/81/01/32/566810132.db2.gz AQNGHPJVGGGYDF-ZFWWWQNUSA-N 0 1 377.535 3.022 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)cc2)n1 ZINC000655533426 566810218 /nfs/dbraw/zinc/81/02/18/566810218.db2.gz AQNGHPJVGGGYDF-HIFRSBDPSA-N 0 1 377.535 3.022 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)cc2)n1 ZINC000655533425 566810553 /nfs/dbraw/zinc/81/05/53/566810553.db2.gz AQNGHPJVGGGYDF-DZGCQCFKSA-N 0 1 377.535 3.022 20 0 GGADMN CC[C@@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(Cl)s1 ZINC000542557416 566811957 /nfs/dbraw/zinc/81/19/57/566811957.db2.gz VQBYUEAJHZTCDY-OAHLLOKOSA-N 0 1 381.929 3.380 20 0 GGADMN CC[C@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(Cl)s1 ZINC000542557415 566812125 /nfs/dbraw/zinc/81/21/25/566812125.db2.gz VQBYUEAJHZTCDY-HNNXBMFYSA-N 0 1 381.929 3.380 20 0 GGADMN C[C@H]1OCC[C@@]12CN(C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000517215527 566812847 /nfs/dbraw/zinc/81/28/47/566812847.db2.gz CJVUITZIVIDRHG-ACXGAUJLSA-N 0 1 390.307 3.001 20 0 GGADMN COc1ccccc1[C@H](CO)NCCC(=O)Nc1ccc(Br)cc1 ZINC000562703622 566813157 /nfs/dbraw/zinc/81/31/57/566813157.db2.gz FDNITEVBKBYYCP-INIZCTEOSA-N 0 1 393.281 3.110 20 0 GGADMN Cc1cnc(C(C)(C)NCCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)s1 ZINC000542579950 566813296 /nfs/dbraw/zinc/81/32/96/566813296.db2.gz DXDOTKVXZBRKGK-UHFFFAOYSA-N 0 1 380.901 3.057 20 0 GGADMN COc1ccccc1[C@@H](CO)NCCC(=O)Nc1ccc(Br)cc1 ZINC000562703623 566813392 /nfs/dbraw/zinc/81/33/92/566813392.db2.gz FDNITEVBKBYYCP-MRXNPFEDSA-N 0 1 393.281 3.110 20 0 GGADMN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1nc(C(C)(C)C)cs1 ZINC000542589177 566813669 /nfs/dbraw/zinc/81/36/69/566813669.db2.gz ZZMFNEVUOQNERT-NSHDSACASA-N 0 1 378.523 3.113 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000469788909 566814511 /nfs/dbraw/zinc/81/45/11/566814511.db2.gz WFQQWGQVFRYOOY-JTQLQIEISA-N 0 1 382.247 3.464 20 0 GGADMN Cc1ncsc1CCS(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000562718530 566814872 /nfs/dbraw/zinc/81/48/72/566814872.db2.gz DKBDXDJBGBEEOE-UHFFFAOYSA-N 0 1 380.869 3.359 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1F ZINC000451414334 566815112 /nfs/dbraw/zinc/81/51/12/566815112.db2.gz ICZMAGCUOASDTL-WQVCFCJDSA-N 0 1 385.277 3.152 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000562704945 566815290 /nfs/dbraw/zinc/81/52/90/566815290.db2.gz ODCYXPRIFBSQDN-ZWNOBZJWSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1nnc([C@@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000562704945 566815293 /nfs/dbraw/zinc/81/52/93/566815293.db2.gz ODCYXPRIFBSQDN-ZWNOBZJWSA-N 0 1 382.295 3.087 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)n[nH]1 ZINC000581929501 566815257 /nfs/dbraw/zinc/81/52/57/566815257.db2.gz GTKQHAILNPSATG-UHFFFAOYSA-N 0 1 393.289 3.459 20 0 GGADMN O=C(Cc1ccc2c(c1)COC2)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000542618712 566815503 /nfs/dbraw/zinc/81/55/03/566815503.db2.gz LXSMJNWIIBTIIW-UHFFFAOYSA-N 0 1 399.248 3.446 20 0 GGADMN CC(C)(NCCOc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000451413904 566815698 /nfs/dbraw/zinc/81/56/98/566815698.db2.gz ROWYVNYICZQQAM-UHFFFAOYSA-N 0 1 379.302 3.281 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1nc(-c2cccs2)cs1 ZINC000451415644 566815880 /nfs/dbraw/zinc/81/58/80/566815880.db2.gz FOFGWICUVOKMSG-CFVMTHIKSA-N 0 1 377.535 3.436 20 0 GGADMN FC(F)(F)[C@@H](CN[C@H]1CCc2cc(Br)ccc21)n1cncn1 ZINC000631685972 566815986 /nfs/dbraw/zinc/81/59/86/566815986.db2.gz BQINQVDHQWNORH-QWHCGFSZSA-N 0 1 375.192 3.421 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1nc(-c2cccs2)cs1 ZINC000451415646 566816064 /nfs/dbraw/zinc/81/60/64/566816064.db2.gz FOFGWICUVOKMSG-YUELXQCFSA-N 0 1 377.535 3.436 20 0 GGADMN CSCC[C@H](N[C@H](C)c1ccc(F)c(Br)c1)C(=O)N(C)C ZINC000489880732 566816217 /nfs/dbraw/zinc/81/62/17/566816217.db2.gz DPULCOTWVWRLFH-YGRLFVJLSA-N 0 1 377.323 3.449 20 0 GGADMN Cn1ncc(Br)c1CNC1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000631684842 566816372 /nfs/dbraw/zinc/81/63/72/566816372.db2.gz NVZWJYFOFCLUSV-UHFFFAOYSA-N 0 1 389.297 3.105 20 0 GGADMN FC(F)(F)[C@H](CN[C@H]1CCc2c1cccc2Br)n1cncn1 ZINC000631689543 566816418 /nfs/dbraw/zinc/81/64/18/566816418.db2.gz UAIVHDFTGQOZJZ-STQMWFEESA-N 0 1 375.192 3.421 20 0 GGADMN FC(F)(F)[C@@H](CN[C@H]1CCc2c1cccc2Br)n1cncn1 ZINC000631689542 566816472 /nfs/dbraw/zinc/81/64/72/566816472.db2.gz UAIVHDFTGQOZJZ-QWHCGFSZSA-N 0 1 375.192 3.421 20 0 GGADMN Cn1ncc(Br)c1CNC1CCN(c2ccc(F)cc2F)CC1 ZINC000631682984 566816759 /nfs/dbraw/zinc/81/67/59/566816759.db2.gz DNFHBXGGUJSDFT-UHFFFAOYSA-N 0 1 385.256 3.219 20 0 GGADMN CC1(C)CN(C[C@H](O)COc2ccc(Br)cc2)[C@H]1[C@H]1CCCO1 ZINC000581948764 566816922 /nfs/dbraw/zinc/81/69/22/566816922.db2.gz AOOJCVKGFVDGFX-UAGQMJEPSA-N 0 1 384.314 3.078 20 0 GGADMN CN(C)CCN(Cc1cccs1)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000469811786 566816990 /nfs/dbraw/zinc/81/69/90/566816990.db2.gz REPUGFATEOGUFD-UHFFFAOYSA-N 0 1 379.913 3.350 20 0 GGADMN C[C@@H](CO)N1CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000469821482 566817251 /nfs/dbraw/zinc/81/72/51/566817251.db2.gz UPDAQPWIQUOCRL-AWEZNQCLSA-N 0 1 385.335 3.330 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCc1cc(Br)cs1 ZINC000610232516 566817512 /nfs/dbraw/zinc/81/75/12/566817512.db2.gz ZZERIAZZZOGCTM-UHFFFAOYSA-N 0 1 386.271 3.290 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@H]1C ZINC000469835037 566818267 /nfs/dbraw/zinc/81/82/67/566818267.db2.gz SOUUUBGIFDGHMC-NHYWBVRUSA-N 0 1 379.254 3.488 20 0 GGADMN CN1CC[N@H+](C)[C@H](CNc2ccnc3c(Cl)cc(Br)cc23)C1 ZINC000428126501 566818425 /nfs/dbraw/zinc/81/84/25/566818425.db2.gz BZSZVRGOGFVWII-GFCCVEGCSA-N 0 1 383.721 3.308 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@H]1C ZINC000469835038 566818456 /nfs/dbraw/zinc/81/84/56/566818456.db2.gz SOUUUBGIFDGHMC-XHDPSFHLSA-N 0 1 379.254 3.488 20 0 GGADMN COC(=O)[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@H]1C ZINC000469839262 566818562 /nfs/dbraw/zinc/81/85/62/566818562.db2.gz CQSWYYUUTZGIFR-CMPLNLGQSA-N 0 1 376.678 3.365 20 0 GGADMN FC(F)(F)[C@H](CN[C@@H]1CCc2sc(Br)cc21)n1cncn1 ZINC000631694597 566818556 /nfs/dbraw/zinc/81/85/56/566818556.db2.gz YYUQZIJGVDFUBF-SCZZXKLOSA-N 0 1 381.221 3.483 20 0 GGADMN COC(=O)[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H]1C ZINC000469839265 566818595 /nfs/dbraw/zinc/81/85/95/566818595.db2.gz CQSWYYUUTZGIFR-ZYHUDNBSSA-N 0 1 376.678 3.365 20 0 GGADMN FC(F)(F)[C@@H](CN[C@@H]1CCc2sc(Br)cc21)n1cncn1 ZINC000631694595 566818674 /nfs/dbraw/zinc/81/86/74/566818674.db2.gz YYUQZIJGVDFUBF-PSASIEDQSA-N 0 1 381.221 3.483 20 0 GGADMN COc1ccc([C@@H](C)NCc2n[nH]c(C3CCOCC3)n2)cc1Br ZINC000631695335 566818836 /nfs/dbraw/zinc/81/88/36/566818836.db2.gz DUSQUAJOEFKHIM-LLVKDONJSA-N 0 1 395.301 3.321 20 0 GGADMN COc1ccc(Br)c([C@H](CO)N(C)CCCCCn2cccn2)c1 ZINC000451451594 566820741 /nfs/dbraw/zinc/82/07/41/566820741.db2.gz CYGOKBALSZWOGX-SFHVURJKSA-N 0 1 396.329 3.490 20 0 GGADMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000631721636 566820961 /nfs/dbraw/zinc/82/09/61/566820961.db2.gz ZGLAWVJGNNJTAC-MQIPJXDCSA-N 0 1 379.444 3.365 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000517347683 566821060 /nfs/dbraw/zinc/82/10/60/566821060.db2.gz CITJRRZJPRRVTN-UHFFFAOYSA-N 0 1 389.293 3.421 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC000542735564 566822057 /nfs/dbraw/zinc/82/20/57/566822057.db2.gz YAOPVAVKNFOTMK-SECBINFHSA-N 0 1 381.837 3.372 20 0 GGADMN COCCN1CC[C@@H](NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000517401087 566824438 /nfs/dbraw/zinc/82/44/38/566824438.db2.gz FZTMBIQZPJAJFK-WCQYABFASA-N 0 1 377.337 3.311 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000542776161 566824936 /nfs/dbraw/zinc/82/49/36/566824936.db2.gz YXCHQMJRJLVHAJ-LLVKDONJSA-N 0 1 377.238 3.467 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000517416142 566825215 /nfs/dbraw/zinc/82/52/15/566825215.db2.gz NFLJLJWTOVRFTB-HZPDHXFCSA-N 0 1 377.286 3.269 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000582039871 566825230 /nfs/dbraw/zinc/82/52/30/566825230.db2.gz OJEIPZNIFKSGCX-HNNXBMFYSA-N 0 1 383.330 3.153 20 0 GGADMN OCc1ccc(CCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000678940897 566825366 /nfs/dbraw/zinc/82/53/66/566825366.db2.gz JUJUCPLHBZFVJP-UHFFFAOYSA-N 0 1 377.275 3.399 20 0 GGADMN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@H](N2CCCCC2)C1 ZINC000517413886 566825496 /nfs/dbraw/zinc/82/54/96/566825496.db2.gz HSUVTSSWEPSSAU-CYBMUJFWSA-N 0 1 380.407 3.093 20 0 GGADMN COC(=O)CN(CCc1ccc(Cl)cc1Cl)Cc1n[nH]c(C(C)C)n1 ZINC000428213078 566825655 /nfs/dbraw/zinc/82/56/55/566825655.db2.gz PZYDGANEJHMTPX-UHFFFAOYSA-N 0 1 385.295 3.453 20 0 GGADMN C[C@H]1C[C@@H](NCc2ccc(Cl)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000678935376 566825913 /nfs/dbraw/zinc/82/59/13/566825913.db2.gz GLTBMFDSUMTCRQ-ZUZCIYMTSA-N 0 1 397.704 3.120 20 0 GGADMN OCc1ccc(CCNCc2cn(-c3cccc(Cl)c3Cl)nn2)cc1 ZINC000678942095 566826149 /nfs/dbraw/zinc/82/61/49/566826149.db2.gz XQGKJWCJTAFQJC-UHFFFAOYSA-N 0 1 377.275 3.399 20 0 GGADMN C[C@@H]1C[C@@H](NCc2ccc(Cl)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000678935373 566826177 /nfs/dbraw/zinc/82/61/77/566826177.db2.gz GLTBMFDSUMTCRQ-MEBBXXQBSA-N 0 1 397.704 3.120 20 0 GGADMN O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@H]1Cc2ccccc2CN1 ZINC000490031237 566826239 /nfs/dbraw/zinc/82/62/39/566826239.db2.gz AHHBVEBPMFMTSM-DLBZAZTESA-N 0 1 387.277 3.103 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccc(Br)cc1C ZINC000542781613 566827226 /nfs/dbraw/zinc/82/72/26/566827226.db2.gz KSYFWAYVCVEPKZ-UHFFFAOYSA-N 0 1 380.242 3.147 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000679001479 566828804 /nfs/dbraw/zinc/82/88/04/566828804.db2.gz SCKPLEFPZBAHTI-UHFFFAOYSA-N 0 1 383.267 3.026 20 0 GGADMN Cc1nnsc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000490074228 566828902 /nfs/dbraw/zinc/82/89/02/566828902.db2.gz IIQASTOFRFHKNV-UHFFFAOYSA-N 0 1 398.466 3.100 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000562888301 566829800 /nfs/dbraw/zinc/82/98/00/566829800.db2.gz SIZTYVXRFARKMC-LBPRGKRZSA-N 0 1 386.290 3.024 20 0 GGADMN Cc1ccc(CCCN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000428281513 566829895 /nfs/dbraw/zinc/82/98/95/566829895.db2.gz ABRNQXHPBNNGRA-QGZVFWFLSA-N 0 1 376.298 3.244 20 0 GGADMN CN(CCCN1CCN(C)CC1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000562887862 566830030 /nfs/dbraw/zinc/83/00/30/566830030.db2.gz CEQHYWMBVVUZJD-UHFFFAOYSA-N 0 1 384.311 3.117 20 0 GGADMN NC(=O)Cc1ccc(CNCc2cccc(Br)c2OC(F)F)cc1 ZINC000679027242 566831048 /nfs/dbraw/zinc/83/10/48/566831048.db2.gz CYSDQKUGQSMGAQ-UHFFFAOYSA-N 0 1 399.235 3.368 20 0 GGADMN O=S(=O)(C[C@H]1CCC(F)(F)C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000631847578 566831103 /nfs/dbraw/zinc/83/11/03/566831103.db2.gz XOLOWRONYYBXMO-GJZGRUSLSA-N 0 1 392.537 3.315 20 0 GGADMN COc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1Br ZINC000517552260 566831131 /nfs/dbraw/zinc/83/11/31/566831131.db2.gz DEDJLKNMOANSON-KRWDZBQOSA-N 0 1 389.293 3.348 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(C(F)F)o1 ZINC000631847291 566831142 /nfs/dbraw/zinc/83/11/42/566831142.db2.gz RAZGYXKPQOKAGQ-LBPRGKRZSA-N 0 1 390.477 3.469 20 0 GGADMN Cc1[nH]ncc1CNC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000517531072 566831359 /nfs/dbraw/zinc/83/13/59/566831359.db2.gz QERJSBHUEGZZKF-UHFFFAOYSA-N 0 1 377.286 3.402 20 0 GGADMN CCO[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000451523388 566831855 /nfs/dbraw/zinc/83/18/55/566831855.db2.gz JIIALDRWRDITQX-JKIFEVAISA-N 0 1 383.330 3.373 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)c1ccc(Cl)s1 ZINC000428341672 566832007 /nfs/dbraw/zinc/83/20/07/566832007.db2.gz XZBDWYORGRKXGC-UHFFFAOYSA-N 0 1 377.897 3.283 20 0 GGADMN COC(=O)[C@]1(C)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000428319261 566832120 /nfs/dbraw/zinc/83/21/20/566832120.db2.gz OTXCTPPGALQLFM-KRWDZBQOSA-N 0 1 392.253 3.007 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cnccc2N2CCCC2)c1 ZINC000517567402 566832035 /nfs/dbraw/zinc/83/20/35/566832035.db2.gz IDFSOKYDUNRPNM-UHFFFAOYSA-N 0 1 381.885 3.282 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCCOCC(F)(F)F ZINC000517575389 566832092 /nfs/dbraw/zinc/83/20/92/566832092.db2.gz DFNVCZCZKVNSKR-CYBMUJFWSA-N 0 1 396.203 3.229 20 0 GGADMN CC(C)c1nc(CN[C@@H](C)c2cc3c(cc2Br)OCCO3)n[nH]1 ZINC000428310948 566832335 /nfs/dbraw/zinc/83/23/35/566832335.db2.gz JMWVPOHTMMVMPP-JTQLQIEISA-N 0 1 381.274 3.313 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000490123444 566832561 /nfs/dbraw/zinc/83/25/61/566832561.db2.gz BXPRXMJEKXPEFX-MCIONIFRSA-N 0 1 388.339 3.021 20 0 GGADMN COc1ccc(Br)c(CC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000490153006 566833181 /nfs/dbraw/zinc/83/31/81/566833181.db2.gz QLYPWRPFMXWOAM-INIZCTEOSA-N 0 1 397.338 3.481 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1Br ZINC000655668602 566833509 /nfs/dbraw/zinc/83/35/09/566833509.db2.gz HUGMNXSGPJQXGW-ZIAGYGMSSA-N 0 1 387.343 3.053 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000679063812 566833756 /nfs/dbraw/zinc/83/37/56/566833756.db2.gz GUIIGKRATAFPSN-XMZIXOGTSA-N 0 1 395.276 3.166 20 0 GGADMN C[C@@H]1C[C@H](N[C@@H]2CCSc3c(Cl)cccc32)C(=O)N1c1cnn(C)c1 ZINC000679063415 566833865 /nfs/dbraw/zinc/83/38/65/566833865.db2.gz KBFOCAZRPOZDBA-LYRGGWFBSA-N 0 1 376.913 3.394 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000679063808 566833983 /nfs/dbraw/zinc/83/39/83/566833983.db2.gz GUIIGKRATAFPSN-MMPTUQATSA-N 0 1 395.276 3.166 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655667363 566833993 /nfs/dbraw/zinc/83/39/93/566833993.db2.gz DUEZDJSNFKUTIC-GJZGRUSLSA-N 0 1 387.343 3.053 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)s1 ZINC000679062079 566834108 /nfs/dbraw/zinc/83/41/08/566834108.db2.gz BHBGWKARJMYFET-JBLDHEPKSA-N 0 1 383.315 3.089 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)s1 ZINC000679062575 566834293 /nfs/dbraw/zinc/83/42/93/566834293.db2.gz BHBGWKARJMYFET-NHCYSSNCSA-N 0 1 383.315 3.089 20 0 GGADMN CN1C[C@@H](N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1=O ZINC000490191645 566834777 /nfs/dbraw/zinc/83/47/77/566834777.db2.gz VGYRCYCFLCNGNH-FUHWJXTLSA-N 0 1 377.257 3.498 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000679066956 566835296 /nfs/dbraw/zinc/83/52/96/566835296.db2.gz PVCIVZFHJSULIZ-XMZIXOGTSA-N 0 1 395.276 3.166 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1Br ZINC000582156188 566835668 /nfs/dbraw/zinc/83/56/68/566835668.db2.gz GKGMFFWTXWBTRJ-ZDUSSCGKSA-N 0 1 399.720 3.421 20 0 GGADMN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(C)c(Br)cn1 ZINC000562938404 566835669 /nfs/dbraw/zinc/83/56/69/566835669.db2.gz NJEIHXLHJNKBPR-CQSZACIVSA-N 0 1 399.310 3.152 20 0 GGADMN C[C@@H]1C[C@H](N[C@H]2CCSc3ccc(Cl)cc32)C(=O)N1c1cnn(C)c1 ZINC000679068263 566835797 /nfs/dbraw/zinc/83/57/97/566835797.db2.gz YJOUCUAKVSGNQM-RLCCDNCMSA-N 0 1 376.913 3.394 20 0 GGADMN O=S(=O)(NCC1(C(F)(F)F)CCC1)c1cc(C(F)(F)F)ccc1O ZINC000451539689 566836202 /nfs/dbraw/zinc/83/62/02/566836202.db2.gz YXABVNMFYVSFMH-UHFFFAOYSA-N 0 1 377.306 3.422 20 0 GGADMN CCO[C@@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000451539303 566836347 /nfs/dbraw/zinc/83/63/47/566836347.db2.gz JYWLXVIBMUGBTR-KBRIMQKVSA-N 0 1 381.314 3.301 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000679095913 566836512 /nfs/dbraw/zinc/83/65/12/566836512.db2.gz HCYAQELNAWFZJK-GFCCVEGCSA-N 0 1 379.291 3.454 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1(C)C ZINC000451551560 566837604 /nfs/dbraw/zinc/83/76/04/566837604.db2.gz LLAWMSRKSWNSDQ-XJKSGUPXSA-N 0 1 383.330 3.373 20 0 GGADMN CCO[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000451550152 566838090 /nfs/dbraw/zinc/83/80/90/566838090.db2.gz WMYZEZJTPKGTOL-WFASDCNBSA-N 0 1 389.359 3.216 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1(C)C ZINC000451551558 566838221 /nfs/dbraw/zinc/83/82/21/566838221.db2.gz LLAWMSRKSWNSDQ-CZUORRHYSA-N 0 1 383.330 3.373 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H](C)C(=O)NC(C)(C)C ZINC000655721135 566838458 /nfs/dbraw/zinc/83/84/58/566838458.db2.gz LLZAFVCNLXOFFE-CYBMUJFWSA-N 0 1 393.329 3.336 20 0 GGADMN COCCN(Cc1ccc(C)o1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000470013377 566838814 /nfs/dbraw/zinc/83/88/14/566838814.db2.gz XEFVGNLLSLXEKJ-MRXNPFEDSA-N 0 1 398.297 3.239 20 0 GGADMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655720947 566838911 /nfs/dbraw/zinc/83/89/11/566838911.db2.gz JPQGAAWLAFYMFU-OCCSQVGLSA-N 0 1 393.329 3.336 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000542936219 566839737 /nfs/dbraw/zinc/83/97/37/566839737.db2.gz XRGOGUBPMXMURS-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562733 566839975 /nfs/dbraw/zinc/83/99/75/566839975.db2.gz CZWHOELXECBFNL-OCCSQVGLSA-N 0 1 382.220 3.178 20 0 GGADMN O[C@H](COCC(F)(F)F)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451562733 566839979 /nfs/dbraw/zinc/83/99/79/566839979.db2.gz CZWHOELXECBFNL-OCCSQVGLSA-N 0 1 382.220 3.178 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000490257153 566840663 /nfs/dbraw/zinc/84/06/63/566840663.db2.gz XFIWZQOAZNPWRF-HEHGZKQESA-N 0 1 383.355 3.482 20 0 GGADMN COc1ccccc1COC[C@@H](O)CNCc1ccccc1Br ZINC000562987767 566841314 /nfs/dbraw/zinc/84/13/14/566841314.db2.gz KTYIJCKJUHRZQD-INIZCTEOSA-N 0 1 380.282 3.125 20 0 GGADMN CC(C)Sc1cc(Br)ccc1CN1CCN(C[C@H](C)O)CC1 ZINC000428413574 566841690 /nfs/dbraw/zinc/84/16/90/566841690.db2.gz PJLAKAYTYNMFMC-AWEZNQCLSA-N 0 1 387.387 3.448 20 0 GGADMN C[C@H](O)CN1CCN(Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000428415171 566841853 /nfs/dbraw/zinc/84/18/53/566841853.db2.gz UFKFVVQTJDTKJN-AWEZNQCLSA-N 0 1 379.298 3.208 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000517714751 566842467 /nfs/dbraw/zinc/84/24/67/566842467.db2.gz XEXAKZBNWZFRDH-RHSMWYFYSA-N 0 1 380.330 3.018 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000470065905 566842922 /nfs/dbraw/zinc/84/29/22/566842922.db2.gz JWDFUYUMMUTEJC-STQMWFEESA-N 0 1 391.364 3.389 20 0 GGADMN C[C@](O)(CNCc1ccc(I)c(Cl)c1)C(F)(F)F ZINC000563010627 566843719 /nfs/dbraw/zinc/84/37/19/566843719.db2.gz HWTJXGFWISINKO-JTQLQIEISA-N 0 1 393.574 3.348 20 0 GGADMN C[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000542971276 566843600 /nfs/dbraw/zinc/84/36/00/566843600.db2.gz UDKGPZKIDULNLN-PWECECGKSA-N 0 1 378.925 3.087 20 0 GGADMN C[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542971274 566843634 /nfs/dbraw/zinc/84/36/34/566843634.db2.gz UDKGPZKIDULNLN-DLUDVSRJSA-N 0 1 378.925 3.087 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNCc2cccc(C)c2Br)c1 ZINC000563003500 566843755 /nfs/dbraw/zinc/84/37/55/566843755.db2.gz UMGXSTHZPMDEGG-KRWDZBQOSA-N 0 1 392.293 3.490 20 0 GGADMN O=c1cc(CN2CC[C@H](c3cccc(Br)c3)C2)nc2ccccn12 ZINC000451573190 566843877 /nfs/dbraw/zinc/84/38/77/566843877.db2.gz TWJFOUQYPQWOKU-HNNXBMFYSA-N 0 1 384.277 3.447 20 0 GGADMN COCCO[C@H]1COCC[C@@H]1NCc1oc2ccccc2c1Br ZINC000655761030 566844367 /nfs/dbraw/zinc/84/43/67/566844367.db2.gz DVVOMSRGJNVJLX-BBRMVZONSA-N 0 1 384.270 3.105 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000582246873 566844491 /nfs/dbraw/zinc/84/44/91/566844491.db2.gz TVTUGNYLSUZBPE-MRXNPFEDSA-N 0 1 384.259 3.320 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3cncnc3C)C2=O)ccc1Br ZINC000655754863 566844499 /nfs/dbraw/zinc/84/44/99/566844499.db2.gz KPTMETXDWSBFIT-GUYCJALGSA-N 0 1 389.297 3.312 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1Cl ZINC000679293281 566844867 /nfs/dbraw/zinc/84/48/67/566844867.db2.gz MFKCXSOWEMUXMI-GXTWGEPZSA-N 0 1 377.337 3.325 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1NCc1oc2ccccc2c1Br ZINC000655761033 566845004 /nfs/dbraw/zinc/84/50/04/566845004.db2.gz DVVOMSRGJNVJLX-XJKSGUPXSA-N 0 1 384.270 3.105 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CNC[C@@](C)(O)C(F)(F)F ZINC000655751993 566845356 /nfs/dbraw/zinc/84/53/56/566845356.db2.gz ULLSONLZKKPUEV-CQSZACIVSA-N 0 1 392.219 3.346 20 0 GGADMN CCOc1ccc(NC(=O)c2cnc3c(cnn3C)c2O)cc1Br ZINC000428443649 566845656 /nfs/dbraw/zinc/84/56/56/566845656.db2.gz ZRUFTWGLTFYZOH-UHFFFAOYSA-N 0 1 391.225 3.087 20 0 GGADMN CCOc1ccc(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)cc1Br ZINC000428443649 566845669 /nfs/dbraw/zinc/84/56/69/566845669.db2.gz ZRUFTWGLTFYZOH-UHFFFAOYSA-N 0 1 391.225 3.087 20 0 GGADMN CC(C)c1nn(C)cc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000517765874 566846016 /nfs/dbraw/zinc/84/60/16/566846016.db2.gz FQRDWJCEWNXXNN-UHFFFAOYSA-N 0 1 389.257 3.343 20 0 GGADMN OC[C@@H]([C@H](NCc1nnc(-c2ccccc2Br)o1)C1CC1)C1CC1 ZINC000451595525 566846498 /nfs/dbraw/zinc/84/64/98/566846498.db2.gz RWZLCSHKVAHHLA-RHSMWYFYSA-N 0 1 392.297 3.386 20 0 GGADMN OC[C@H]([C@@H](NCc1nnc(-c2ccccc2Br)o1)C1CC1)C1CC1 ZINC000451595533 566846622 /nfs/dbraw/zinc/84/66/22/566846622.db2.gz RWZLCSHKVAHHLA-YOEHRIQHSA-N 0 1 392.297 3.386 20 0 GGADMN Cc1cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)sc1Br ZINC000428484292 566846704 /nfs/dbraw/zinc/84/67/04/566846704.db2.gz POYCHJGMNYGACK-SECBINFHSA-N 0 1 385.249 3.319 20 0 GGADMN Cc1nnc(SCCC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)[nH]1 ZINC000470100268 566846872 /nfs/dbraw/zinc/84/68/72/566846872.db2.gz BHYWLUKIZLDSAV-UHFFFAOYSA-N 0 1 379.433 3.122 20 0 GGADMN OC[C@H]([C@@H](NCc1nc(-c2cc(Br)cs2)no1)C1CC1)C1CC1 ZINC000451597818 566847227 /nfs/dbraw/zinc/84/72/27/566847227.db2.gz DLMPDGUYAAUWET-WFASDCNBSA-N 0 1 398.326 3.447 20 0 GGADMN Brc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000679327900 566848009 /nfs/dbraw/zinc/84/80/09/566848009.db2.gz WQSFCNIPSSIQRO-MRXNPFEDSA-N 0 1 390.325 3.294 20 0 GGADMN CCNC(=O)[C@@H](NCc1cn(-c2ccccc2Br)nc1C)C(C)C ZINC000655776301 566848032 /nfs/dbraw/zinc/84/80/32/566848032.db2.gz FPWADUPQROAYKF-KRWDZBQOSA-N 0 1 393.329 3.194 20 0 GGADMN CCc1cnccc1[C@@H](C)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000543053525 566848688 /nfs/dbraw/zinc/84/86/88/566848688.db2.gz OSYBMPMAUHCZHU-GFCCVEGCSA-N 0 1 387.281 3.265 20 0 GGADMN Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1nnc([C@@H]3CCCO3)[n-]1)C2 ZINC000655798123 566848908 /nfs/dbraw/zinc/84/89/08/566848908.db2.gz UBRGEINOROKFGH-CABCVRRESA-N 0 1 377.286 3.066 20 0 GGADMN Fc1ccc(Br)c2c1CC[C@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655796480 566848984 /nfs/dbraw/zinc/84/89/84/566848984.db2.gz HYYWJDDOZYKRFG-CHWSQXEVSA-N 0 1 381.249 3.335 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCCCCn1cccn1 ZINC000582307042 566848967 /nfs/dbraw/zinc/84/89/67/566848967.db2.gz RSEUCSMJPWSIQH-QGZVFWFLSA-N 0 1 392.297 3.327 20 0 GGADMN CCc1nc(CN(C)C(=O)[C@](C)(N)c2ccc(Br)cc2)cs1 ZINC000563055602 566849003 /nfs/dbraw/zinc/84/90/03/566849003.db2.gz GKRIQOZXUOJTAQ-MRXNPFEDSA-N 0 1 382.327 3.301 20 0 GGADMN Brc1ccc2c(c1)OCCC[C@@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655796910 566849234 /nfs/dbraw/zinc/84/92/34/566849234.db2.gz KPIHCMROVYHUAN-KBPBESRZSA-N 0 1 393.285 3.422 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Br)c(F)cc2Cl)n1 ZINC000679342990 566849152 /nfs/dbraw/zinc/84/91/52/566849152.db2.gz JJEQUJJXEADBSO-UHFFFAOYSA-N 0 1 376.617 3.032 20 0 GGADMN Fc1cc(Br)cc2c1CC[C@@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655796384 566849703 /nfs/dbraw/zinc/84/97/03/566849703.db2.gz HEMRMHVJUGDEML-UONOGXRCSA-N 0 1 381.249 3.335 20 0 GGADMN O=C(Nc1cccc2c(Br)ccnc12)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000582297574 566849751 /nfs/dbraw/zinc/84/97/51/566849751.db2.gz HSUFDRBTAHGKRH-SNVBAGLBSA-N 0 1 387.241 3.137 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC(C)(F)F ZINC000451610529 566849882 /nfs/dbraw/zinc/84/98/82/566849882.db2.gz GMUCFDHHSDXISP-UHFFFAOYSA-N 0 1 376.208 3.104 20 0 GGADMN Fc1cc(Br)cc2c1CC[C@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655796385 566850316 /nfs/dbraw/zinc/85/03/16/566850316.db2.gz HEMRMHVJUGDEML-ZIAGYGMSSA-N 0 1 381.249 3.335 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2nnc(SCc3cccs3)s2)C1(C)C ZINC000563065172 566850775 /nfs/dbraw/zinc/85/07/75/566850775.db2.gz LMZUQWSORXBOFX-MEDUHNTESA-N 0 1 398.579 3.363 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000490440027 566850789 /nfs/dbraw/zinc/85/07/89/566850789.db2.gz NLFRXMUXTNRCQL-NSHDSACASA-N 0 1 378.872 3.113 20 0 GGADMN C[C@H](Cc1ccsc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000543085411 566850818 /nfs/dbraw/zinc/85/08/18/566850818.db2.gz ZLTMPJYAKXEYTK-PBHICJAKSA-N 0 1 382.526 3.261 20 0 GGADMN O=C1C[C@H](N[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CN1C1CC1 ZINC000679354589 566851332 /nfs/dbraw/zinc/85/13/32/566851332.db2.gz XQVBVGAMENHDHY-LESCRADOSA-N 0 1 379.298 3.022 20 0 GGADMN COc1ccnc(N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)c1 ZINC000517852758 566851351 /nfs/dbraw/zinc/85/13/51/566851351.db2.gz QEDSSWRAEFARIU-UHFFFAOYSA-N 0 1 377.897 3.185 20 0 GGADMN O=C(CN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)NC1CCCC1 ZINC000679355549 566851440 /nfs/dbraw/zinc/85/14/40/566851440.db2.gz SOJVQMKATXQFJM-AEFFLSMTSA-N 0 1 381.314 3.318 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000655814730 566851726 /nfs/dbraw/zinc/85/17/26/566851726.db2.gz PDVLFHWMWWQAHI-HNNXBMFYSA-N 0 1 389.249 3.221 20 0 GGADMN O=C(CN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1)NC1CCCC1 ZINC000679355553 566851768 /nfs/dbraw/zinc/85/17/68/566851768.db2.gz SOJVQMKATXQFJM-SJLPKXTDSA-N 0 1 381.314 3.318 20 0 GGADMN Clc1sc(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc1Br ZINC000655816770 566852456 /nfs/dbraw/zinc/85/24/56/566852456.db2.gz BKEFZUWKBBKXLL-VIFPVBQESA-N 0 1 377.695 3.423 20 0 GGADMN C[C@@H](Cc1ccccn1)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000655834897 566854246 /nfs/dbraw/zinc/85/42/46/566854246.db2.gz SNBMTMMXCLPXNM-QWRGUYRKSA-N 0 1 388.320 3.318 20 0 GGADMN O=C(CCSc1ccc(Br)cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000517925452 566854566 /nfs/dbraw/zinc/85/45/66/566854566.db2.gz KBQONIDQKRHCCX-NSHDSACASA-N 0 1 381.299 3.066 20 0 GGADMN O=C(CCSc1ccc(Br)cc1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000517925451 566854740 /nfs/dbraw/zinc/85/47/40/566854740.db2.gz KBQONIDQKRHCCX-LLVKDONJSA-N 0 1 381.299 3.066 20 0 GGADMN COCCS(=O)(=O)c1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000428542071 566855123 /nfs/dbraw/zinc/85/51/23/566855123.db2.gz CZBHTGFUETXBMK-UHFFFAOYSA-N 0 1 393.452 3.477 20 0 GGADMN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000451646281 566855527 /nfs/dbraw/zinc/85/55/27/566855527.db2.gz HYBYISAXOMGWHQ-ZETCQYMHSA-N 0 1 381.750 3.254 20 0 GGADMN COc1cccc(N2C[C@@H](N[C@H](C)c3cncc(Br)c3)CC2=O)c1 ZINC000517966051 566856174 /nfs/dbraw/zinc/85/61/74/566856174.db2.gz UNEQUGRRMYNDEC-DOMZBBRYSA-N 0 1 390.281 3.309 20 0 GGADMN Cc1cc(CNC(=O)Nc2cc(I)ccc2Cl)n[nH]1 ZINC000610713863 566856469 /nfs/dbraw/zinc/85/64/69/566856469.db2.gz WEXVKZPOBOGGPA-UHFFFAOYSA-N 0 1 390.612 3.298 20 0 GGADMN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451648089 566856372 /nfs/dbraw/zinc/85/63/72/566856372.db2.gz NZCJEYOVSGNPNE-VIFPVBQESA-N 0 1 395.321 3.047 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000563124198 566856761 /nfs/dbraw/zinc/85/67/61/566856761.db2.gz IFGTXUDZICRYDP-NWDGAFQWSA-N 0 1 384.270 3.296 20 0 GGADMN COCCS(=O)(=O)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000428548044 566856927 /nfs/dbraw/zinc/85/69/27/566856927.db2.gz DQINLYMIQYODGC-UHFFFAOYSA-N 0 1 398.322 3.159 20 0 GGADMN COc1cccc(N2C[C@H](N[C@H](C)c3cncc(Br)c3)CC2=O)c1 ZINC000517966053 566856971 /nfs/dbraw/zinc/85/69/71/566856971.db2.gz UNEQUGRRMYNDEC-IUODEOHRSA-N 0 1 390.281 3.309 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc3c2CNC3=O)c(Cl)c1Cl ZINC000582382083 566857156 /nfs/dbraw/zinc/85/71/56/566857156.db2.gz RNNWLCNDWHLKSG-UHFFFAOYSA-N 0 1 387.244 3.046 20 0 GGADMN NC(=O)[C@H](Cc1ccc(F)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000543153809 566857332 /nfs/dbraw/zinc/85/73/32/566857332.db2.gz PULYKFSAVULLDF-AWEZNQCLSA-N 0 1 376.844 3.453 20 0 GGADMN OC[C@H](CNCc1ncc(Cl)s1)Cc1ccc(Br)cc1 ZINC000428554190 566857460 /nfs/dbraw/zinc/85/74/60/566857460.db2.gz YRJGWFUWJRCLLF-NSHDSACASA-N 0 1 375.719 3.500 20 0 GGADMN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C2CCCCC2)C(F)(F)F)s1 ZINC000543167821 566859583 /nfs/dbraw/zinc/85/95/83/566859583.db2.gz WUYRAUKHESXCQF-CQSZACIVSA-N 0 1 398.472 3.174 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1cc(Br)ccc1C ZINC000563148560 566860228 /nfs/dbraw/zinc/86/02/28/566860228.db2.gz HNXSOYGTYIMJLA-UHFFFAOYSA-N 0 1 380.242 3.147 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000518036274 566860884 /nfs/dbraw/zinc/86/08/84/566860884.db2.gz HVKKODBCDRKZOP-LLVKDONJSA-N 0 1 398.985 3.199 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000518036275 566861268 /nfs/dbraw/zinc/86/12/68/566861268.db2.gz HVKKODBCDRKZOP-NSHDSACASA-N 0 1 398.985 3.199 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1Br ZINC000518027035 566861371 /nfs/dbraw/zinc/86/13/71/566861371.db2.gz WKLWWDGNXPDFKQ-ZDUSSCGKSA-N 0 1 397.292 3.467 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3cscc3Br)CC2)n[nH]1 ZINC000632199134 566861698 /nfs/dbraw/zinc/86/16/98/566861698.db2.gz UEUGSXVLAAASPJ-UHFFFAOYSA-N 0 1 390.328 3.110 20 0 GGADMN CCC(CC)(CNS(=O)(=O)c1cc(F)c(Br)cc1F)OC ZINC000490520186 566861935 /nfs/dbraw/zinc/86/19/35/566861935.db2.gz MGCZVELYZMJDMB-UHFFFAOYSA-N 0 1 386.258 3.211 20 0 GGADMN O=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(Br)c1O ZINC000518030797 566862208 /nfs/dbraw/zinc/86/22/08/566862208.db2.gz VIDNNVIQINJDIM-UHFFFAOYSA-N 0 1 389.249 3.212 20 0 GGADMN COc1ccc(OCCN(C)C(=O)c2cccc(Br)c2O)cc1 ZINC000518031882 566862257 /nfs/dbraw/zinc/86/22/57/566862257.db2.gz LFMUWPIDTGOXES-UHFFFAOYSA-N 0 1 380.238 3.314 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCOc3ccc(Br)cc3C2)cc1 ZINC000563159033 566862415 /nfs/dbraw/zinc/86/24/15/566862415.db2.gz CFUQCVOAQXTXGB-QGZVFWFLSA-N 0 1 375.266 3.179 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000451675826 566862458 /nfs/dbraw/zinc/86/24/58/566862458.db2.gz BPEMYOCNYJSMOU-UHFFFAOYSA-N 0 1 397.913 3.184 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)[C@@H]1CCCC[C@H]1O ZINC000428619847 566862742 /nfs/dbraw/zinc/86/27/42/566862742.db2.gz OPKYKKPCEDTBDA-HZPDHXFCSA-N 0 1 378.270 3.215 20 0 GGADMN Fc1cccc(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)c1Br ZINC000632222264 566863632 /nfs/dbraw/zinc/86/36/32/566863632.db2.gz DEOLJRLMWXWUPF-VIFPVBQESA-N 0 1 378.205 3.148 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451691982 566863912 /nfs/dbraw/zinc/86/39/12/566863912.db2.gz DDDBVJKKBHRMSP-VWPFQQQWSA-N 0 1 381.314 3.259 20 0 GGADMN C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1OCCc2sccc21 ZINC000490551984 566864351 /nfs/dbraw/zinc/86/43/51/566864351.db2.gz SPNDIMCFMZUSGT-RMLUDKJBSA-N 0 1 377.409 3.146 20 0 GGADMN CCOC(=O)c1ccc(N2CC(NCc3ccc(Br)s3)C2)nc1 ZINC000543239198 566864542 /nfs/dbraw/zinc/86/45/42/566864542.db2.gz SPJCQYWUNZJBBL-UHFFFAOYSA-N 0 1 396.310 3.061 20 0 GGADMN COCCN1CC[C@@H](NC(=O)c2ccccc2SCc2cccs2)C1 ZINC000518077028 566865038 /nfs/dbraw/zinc/86/50/38/566865038.db2.gz ISUGHELIWIUFRH-OAHLLOKOSA-N 0 1 376.547 3.491 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC2CC(F)(F)C2)nc1 ZINC000428656283 566865470 /nfs/dbraw/zinc/86/54/70/566865470.db2.gz HUDUQMSUVFIGNJ-UHFFFAOYSA-N 0 1 375.347 3.370 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CNCc1cc(Br)ccc1OC(F)F ZINC000543237166 566865879 /nfs/dbraw/zinc/86/58/79/566865879.db2.gz SFGXQKPDAIHUOW-GFCCVEGCSA-N 0 1 398.269 3.107 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@H](CO)CC(F)F)c1ccccc1Cl ZINC000428664319 566866234 /nfs/dbraw/zinc/86/62/34/566866234.db2.gz BEJQMZRBTWWYQY-WFASDCNBSA-N 0 1 377.863 3.038 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(C(C)C)CC2)c1 ZINC000490571579 566866379 /nfs/dbraw/zinc/86/63/79/566866379.db2.gz SZBOKRFOOZPKAW-UHFFFAOYSA-N 0 1 387.265 3.158 20 0 GGADMN COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(Br)c1OC ZINC000451706173 566866764 /nfs/dbraw/zinc/86/67/64/566866764.db2.gz LORGFWQMHKLOBA-NFAWXSAZSA-N 0 1 384.314 3.449 20 0 GGADMN CCc1nc(CNC(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)n[nH]1 ZINC000656046448 566867359 /nfs/dbraw/zinc/86/73/59/566867359.db2.gz WFPHCNGBCGWMHR-LBPRGKRZSA-N 0 1 392.301 3.176 20 0 GGADMN CN1CCCC[C@@H]1CC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000582492585 566867389 /nfs/dbraw/zinc/86/73/89/566867389.db2.gz YTEYCGOPYLRAPK-FGTMMUONSA-N 0 1 395.341 3.424 20 0 GGADMN CN1CCCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000582492585 566867393 /nfs/dbraw/zinc/86/73/93/566867393.db2.gz YTEYCGOPYLRAPK-FGTMMUONSA-N 0 1 395.341 3.424 20 0 GGADMN COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(Br)c1OC ZINC000451706172 566867397 /nfs/dbraw/zinc/86/73/97/566867397.db2.gz LORGFWQMHKLOBA-IPYPFGDCSA-N 0 1 384.314 3.449 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000490592629 566868005 /nfs/dbraw/zinc/86/80/05/566868005.db2.gz SJQPWGPXWUZFKL-UHFFFAOYSA-N 0 1 399.276 3.302 20 0 GGADMN CC[C@@H]1CN(CC)CCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000451723767 566868972 /nfs/dbraw/zinc/86/89/72/566868972.db2.gz BLXNQGCIUMEQSU-RHSMWYFYSA-N 0 1 382.346 3.042 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273666 566869258 /nfs/dbraw/zinc/86/92/58/566869258.db2.gz WKENQOXKKCLORA-SFYZADRCSA-N 0 1 393.332 3.182 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451718750 566869623 /nfs/dbraw/zinc/86/96/23/566869623.db2.gz WOYLKUOZWZDVHY-WBOJAVRRSA-N 0 1 381.314 3.259 20 0 GGADMN Nc1c(Br)cc(Br)cc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101284 566870007 /nfs/dbraw/zinc/87/00/07/566870007.db2.gz JTMUIEAIGFJGHV-UHFFFAOYSA-N 0 1 392.091 3.233 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000490629561 566872169 /nfs/dbraw/zinc/87/21/69/566872169.db2.gz LMGTXNHMSZZNGI-CYBMUJFWSA-N 0 1 399.329 3.290 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)c1ccc(Cl)s1 ZINC000428717538 566872387 /nfs/dbraw/zinc/87/23/87/566872387.db2.gz DYCONWUIVNNZLS-UHFFFAOYSA-N 0 1 386.970 3.452 20 0 GGADMN CN(CC[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1)Cc1ccccc1 ZINC000563288543 566872672 /nfs/dbraw/zinc/87/26/72/566872672.db2.gz HNMZYLXUDZDSAL-UHFFFAOYSA-N 0 1 391.309 3.468 20 0 GGADMN C[N@H+](CCN(CC(=O)[O-])Cc1cccc(Br)c1)Cc1ccccc1 ZINC000563288543 566872679 /nfs/dbraw/zinc/87/26/79/566872679.db2.gz HNMZYLXUDZDSAL-UHFFFAOYSA-N 0 1 391.309 3.468 20 0 GGADMN CC[C@H]1CN(CC)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000451731872 566872827 /nfs/dbraw/zinc/87/28/27/566872827.db2.gz RSSKVDCPZITMEZ-INIZCTEOSA-N 0 1 393.329 3.339 20 0 GGADMN C[N@@H+](CCN(CC(=O)[O-])Cc1cccc(Br)c1)Cc1ccccc1 ZINC000563288543 566872685 /nfs/dbraw/zinc/87/26/85/566872685.db2.gz HNMZYLXUDZDSAL-UHFFFAOYSA-N 0 1 391.309 3.468 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000563290607 566873252 /nfs/dbraw/zinc/87/32/52/566873252.db2.gz PJMXBJDEZZVMMU-CYBMUJFWSA-N 0 1 380.901 3.449 20 0 GGADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000563288627 566873284 /nfs/dbraw/zinc/87/32/84/566873284.db2.gz IKTFYXCEZFICOM-GUYCJALGSA-N 0 1 376.280 3.166 20 0 GGADMN Cn1ccnc1[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554150 566873558 /nfs/dbraw/zinc/87/35/58/566873558.db2.gz DUZBRTMDECGDLP-BLLLJJGKSA-N 0 1 379.291 3.322 20 0 GGADMN CCOC1(C)CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000428745177 566873876 /nfs/dbraw/zinc/87/38/76/566873876.db2.gz AFYYNCMYCKAUGV-UHFFFAOYSA-N 0 1 383.330 3.299 20 0 GGADMN CN(C)S(=O)(=O)CCCN1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428744838 566874237 /nfs/dbraw/zinc/87/42/37/566874237.db2.gz DEJQXKWUCGCWBX-UHFFFAOYSA-N 0 1 379.353 3.454 20 0 GGADMN COc1ccccc1[C@@H]1C[C@H]1N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000582556011 566874489 /nfs/dbraw/zinc/87/44/89/566874489.db2.gz BDCIEQUFFKHIAY-ZMSDIMECSA-N 0 1 375.266 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000518305981 566875546 /nfs/dbraw/zinc/87/55/46/566875546.db2.gz YOLZCYCOQURXBO-KRWDZBQOSA-N 0 1 395.272 3.386 20 0 GGADMN CC(C)(C)CN1CCC[C@@H](N[C@H](CO)c2ccc(Br)cc2)C1=O ZINC000428773964 566875842 /nfs/dbraw/zinc/87/58/42/566875842.db2.gz SRPYPKSDMCQSKO-HZPDHXFCSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 ZINC000428770582 566875865 /nfs/dbraw/zinc/87/58/65/566875865.db2.gz GIPFKOCLFMFCOT-MEDUHNTESA-N 0 1 381.245 3.238 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000428774390 566876088 /nfs/dbraw/zinc/87/60/88/566876088.db2.gz VHIKFZYIPCXYBA-RDTXWAMCSA-N 0 1 391.309 3.085 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 ZINC000428770579 566876225 /nfs/dbraw/zinc/87/62/25/566876225.db2.gz GIPFKOCLFMFCOT-BDJLRTHQSA-N 0 1 381.245 3.238 20 0 GGADMN COc1ccc([C@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000679842188 566876384 /nfs/dbraw/zinc/87/63/84/566876384.db2.gz GPDPPFHFCUXKAY-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000563325065 566876503 /nfs/dbraw/zinc/87/65/03/566876503.db2.gz JLCDTPNZYGESIV-ZIAGYGMSSA-N 0 1 383.330 3.331 20 0 GGADMN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000518310646 566877217 /nfs/dbraw/zinc/87/72/17/566877217.db2.gz LZAIYEQCABTRBI-UHFFFAOYSA-N 0 1 385.894 3.422 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N1CCc2ccccc21 ZINC000428788288 566877131 /nfs/dbraw/zinc/87/71/31/566877131.db2.gz RPAZPODDRLLCOY-SUMWQHHRSA-N 0 1 389.293 3.050 20 0 GGADMN CCN(C(=O)CN1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000518312138 566877452 /nfs/dbraw/zinc/87/74/52/566877452.db2.gz JGYDBEDFVUMRJD-UHFFFAOYSA-N 0 1 391.313 3.336 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000428785069 566877423 /nfs/dbraw/zinc/87/74/23/566877423.db2.gz UIZQLFRKIMWFEP-VWPFQQQWSA-N 0 1 383.330 3.250 20 0 GGADMN COCC1(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000518342621 566877914 /nfs/dbraw/zinc/87/79/14/566877914.db2.gz BCGOQEAWYABAEQ-OAHLLOKOSA-N 0 1 383.901 3.252 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CSCc1cccc(Cl)c1 ZINC000470485710 566877822 /nfs/dbraw/zinc/87/78/22/566877822.db2.gz GKGIFCFQBWIPKA-HNNXBMFYSA-N 0 1 382.957 3.285 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000428782304 566877973 /nfs/dbraw/zinc/87/79/73/566877973.db2.gz KZVVDUFTWVJMFY-KBRIMQKVSA-N 0 1 383.330 3.252 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000428785068 566878044 /nfs/dbraw/zinc/87/80/44/566878044.db2.gz UIZQLFRKIMWFEP-QDEZUTFSSA-N 0 1 383.330 3.250 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CSCc1cccc(Cl)c1 ZINC000470474828 566877891 /nfs/dbraw/zinc/87/78/91/566877891.db2.gz GKGIFCFQBWIPKA-OAHLLOKOSA-N 0 1 382.957 3.285 20 0 GGADMN CN1CCc2ccc(C(=O)Nc3nc(-c4ccccc4Br)n[nH]3)cc21 ZINC000543411097 566878415 /nfs/dbraw/zinc/87/84/15/566878415.db2.gz PYMSRGIRMCXIKY-UHFFFAOYSA-N 0 1 398.264 3.479 20 0 GGADMN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1[nH]cnc1C(=O)OC ZINC000563358975 566878440 /nfs/dbraw/zinc/87/84/40/566878440.db2.gz GFCWGNLEXMVRPK-NSHDSACASA-N 0 1 380.242 3.166 20 0 GGADMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000543414847 566879108 /nfs/dbraw/zinc/87/91/08/566879108.db2.gz AZMVATDDIQJFFR-LLVKDONJSA-N 0 1 395.750 3.255 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000470514212 566879127 /nfs/dbraw/zinc/87/91/27/566879127.db2.gz OLJJKUXUGXEERV-OAHLLOKOSA-N 0 1 395.341 3.391 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000563370460 566879422 /nfs/dbraw/zinc/87/94/22/566879422.db2.gz VDSKRTBYHCRNHA-NSHDSACASA-N 0 1 383.279 3.382 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NC1CCC(C)CC1 ZINC000428792611 566879902 /nfs/dbraw/zinc/87/99/02/566879902.db2.gz HWMKOAHJPNEOTM-NHOQAQIYSA-N 0 1 383.330 3.156 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N(C)C1CCCCC1 ZINC000428806543 566880418 /nfs/dbraw/zinc/88/04/18/566880418.db2.gz YLSCVAGESOUMRD-SUMWQHHRSA-N 0 1 383.330 3.252 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000428814396 566880468 /nfs/dbraw/zinc/88/04/68/566880468.db2.gz CYLTYWOMEZGBFO-KDOFPFPSSA-N 0 1 391.309 3.085 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c(Cl)c1 ZINC000582626858 566880424 /nfs/dbraw/zinc/88/04/24/566880424.db2.gz IXTPUEFESGDTJM-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NCC1CCCCC1 ZINC000428813426 566880639 /nfs/dbraw/zinc/88/06/39/566880639.db2.gz DBESFQOUBPGWEA-DYVFJYSZSA-N 0 1 383.330 3.157 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NCCC1=CCCCC1 ZINC000428814857 566881004 /nfs/dbraw/zinc/88/10/04/566881004.db2.gz FBABGQMEICYLLL-KBXCAEBGSA-N 0 1 395.341 3.467 20 0 GGADMN Cc1cc(C[C@H](C)NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000632394125 566881693 /nfs/dbraw/zinc/88/16/93/566881693.db2.gz JCNJRINWLKEOLB-VIFPVBQESA-N 0 1 381.807 3.300 20 0 GGADMN Cc1cc(C[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000632395535 566881717 /nfs/dbraw/zinc/88/17/17/566881717.db2.gz PEGOSMQMGJAGOP-VIFPVBQESA-N 0 1 392.706 3.044 20 0 GGADMN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](c2cccs2)C2CC2)c1 ZINC000543439641 566882571 /nfs/dbraw/zinc/88/25/71/566882571.db2.gz QBFCGUMBTJPZMC-KRWDZBQOSA-N 0 1 398.937 3.484 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000632408264 566883251 /nfs/dbraw/zinc/88/32/51/566883251.db2.gz ZKLHUOFBCUHRRQ-UHFFFAOYSA-N 0 1 382.860 3.046 20 0 GGADMN COc1ccsc1S(=O)(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000451793869 566883908 /nfs/dbraw/zinc/88/39/08/566883908.db2.gz FJGLIKUZXNZGKN-UHFFFAOYSA-N 0 1 380.535 3.090 20 0 GGADMN COc1ccc(Br)cc1CN[C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428852022 566884485 /nfs/dbraw/zinc/88/44/85/566884485.db2.gz SIFPYBZMNXMTKY-PXAZEXFGSA-N 0 1 377.282 3.205 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(C(C)C)c(C)s3)ccc21 ZINC000563433530 566884618 /nfs/dbraw/zinc/88/46/18/566884618.db2.gz VUSOEDJKJKJUBE-UHFFFAOYSA-N 0 1 379.507 3.285 20 0 GGADMN COc1ccc(Br)cc1CN[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428852027 566884951 /nfs/dbraw/zinc/88/49/51/566884951.db2.gz SIFPYBZMNXMTKY-YVEFUNNKSA-N 0 1 377.282 3.205 20 0 GGADMN Brc1cc2ncnc(NCc3n[nH]c([C@@H]4CCCO4)n3)c2s1 ZINC000656207736 566885065 /nfs/dbraw/zinc/88/50/65/566885065.db2.gz AYKBQSDLURZULV-QMMMGPOBSA-N 0 1 381.259 3.036 20 0 GGADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000563454494 566885244 /nfs/dbraw/zinc/88/52/44/566885244.db2.gz LHZHIWUCIZHDOC-SWLSCSKDSA-N 0 1 385.245 3.019 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000563456217 566885296 /nfs/dbraw/zinc/88/52/96/566885296.db2.gz UARILOINXXKAQA-WVWOOGAGSA-N 0 1 376.280 3.307 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000611059472 566886070 /nfs/dbraw/zinc/88/60/70/566886070.db2.gz BLNFLLYITSKNIR-LBPRGKRZSA-N 0 1 384.270 3.350 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000611059471 566886340 /nfs/dbraw/zinc/88/63/40/566886340.db2.gz BLNFLLYITSKNIR-GFCCVEGCSA-N 0 1 384.270 3.350 20 0 GGADMN Cc1nnc(SCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)[nH]1 ZINC000582703587 566887092 /nfs/dbraw/zinc/88/70/92/566887092.db2.gz GFGVEBGJPRNNHC-UHFFFAOYSA-N 0 1 393.310 3.436 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CC3(CCC3)c3cc(Br)ccc32)n1 ZINC000582703587 566887094 /nfs/dbraw/zinc/88/70/94/566887094.db2.gz GFGVEBGJPRNNHC-UHFFFAOYSA-N 0 1 393.310 3.436 20 0 GGADMN CN(CCc1cccc(Br)c1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000428910588 566888155 /nfs/dbraw/zinc/88/81/55/566888155.db2.gz ABCNEXNZGIPHLL-UHFFFAOYSA-N 0 1 377.217 3.174 20 0 GGADMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1nc(C(F)(F)F)no1 ZINC000632479401 566888330 /nfs/dbraw/zinc/88/83/30/566888330.db2.gz CFHHVIORCPZHCW-YFKPBYRVSA-N 0 1 390.170 3.435 20 0 GGADMN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1sccc1Br ZINC000470614639 566888542 /nfs/dbraw/zinc/88/85/42/566888542.db2.gz VWQVFGWZJGARLN-GRYCIOLGSA-N 0 1 395.388 3.155 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494307 566888997 /nfs/dbraw/zinc/88/89/97/566888997.db2.gz RNWDYHXSIJUMTH-YUMQZZPRSA-N 0 1 393.332 3.182 20 0 GGADMN C[C@H](NC(=O)CN1CCC([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000680087438 566889319 /nfs/dbraw/zinc/88/93/19/566889319.db2.gz FIGHKKHCDUOTOA-WMLDXEAASA-N 0 1 395.341 3.375 20 0 GGADMN COc1ccccc1N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000518542644 566889555 /nfs/dbraw/zinc/88/95/55/566889555.db2.gz DQKRKHYMTWWKTA-UHFFFAOYSA-N 0 1 391.265 3.126 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494305 566889730 /nfs/dbraw/zinc/88/97/30/566889730.db2.gz RNWDYHXSIJUMTH-SFYZADRCSA-N 0 1 393.332 3.182 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cn(-c3cccc(Br)c3)nc2C)[C@@H]1OC ZINC000656255945 566889893 /nfs/dbraw/zinc/88/98/93/566889893.db2.gz NVBXFBQJAJVOET-KURKYZTESA-N 0 1 394.313 3.225 20 0 GGADMN O=C(CN1CCC([C@H]2CCOC2)CC1)NCCc1cccc(Cl)c1Cl ZINC000680083611 566890030 /nfs/dbraw/zinc/89/00/30/566890030.db2.gz DCNSUWRKLLGIKG-INIZCTEOSA-N 0 1 385.335 3.401 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)CO2 ZINC000518529281 566890133 /nfs/dbraw/zinc/89/01/33/566890133.db2.gz GQXICXUULORTOE-MAUKXSAKSA-N 0 1 375.266 3.181 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN1CCSC[C@H]1CCO ZINC000656254774 566890301 /nfs/dbraw/zinc/89/03/01/566890301.db2.gz JORGYBOGKLFCTD-OAHLLOKOSA-N 0 1 396.354 3.243 20 0 GGADMN CC[NH+]1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000582762566 566890776 /nfs/dbraw/zinc/89/07/76/566890776.db2.gz WISSKKQOWHSYPO-UHFFFAOYSA-N 0 1 384.851 3.369 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000491065220 566891284 /nfs/dbraw/zinc/89/12/84/566891284.db2.gz JZAMFFBFAXDHKZ-MCIONIFRSA-N 0 1 388.339 3.193 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000518560136 566891733 /nfs/dbraw/zinc/89/17/33/566891733.db2.gz RSMTVQQAUMBFBV-JTQLQIEISA-N 0 1 376.873 3.160 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(Br)c2O)C1 ZINC000518572264 566891859 /nfs/dbraw/zinc/89/18/59/566891859.db2.gz CVUDDOWMSKBTBW-CHWSQXEVSA-N 0 1 397.313 3.312 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000680090746 566891972 /nfs/dbraw/zinc/89/19/72/566891972.db2.gz QJEQVDDCTVLKBU-QGZVFWFLSA-N 0 1 395.341 3.156 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000656258159 566892300 /nfs/dbraw/zinc/89/23/00/566892300.db2.gz OZMVGTUDZPUEAC-CQSZACIVSA-N 0 1 376.298 3.412 20 0 GGADMN CCOCCOCCN(C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656257473 566892647 /nfs/dbraw/zinc/89/26/47/566892647.db2.gz ISQVLJIMJKRIGI-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN COCCO[C@@H]1CCN(Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000656258301 566893911 /nfs/dbraw/zinc/89/39/11/566893911.db2.gz RFEBUUZRSVSITM-MRXNPFEDSA-N 0 1 394.313 3.181 20 0 GGADMN O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000582794317 566894287 /nfs/dbraw/zinc/89/42/87/566894287.db2.gz JFYKBILETSXBFN-DOTOQJQBSA-N 0 1 377.282 3.073 20 0 GGADMN COCCOCCN(C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656260956 566894892 /nfs/dbraw/zinc/89/48/92/566894892.db2.gz ZTNHUZBXQXYVLH-UHFFFAOYSA-N 0 1 382.302 3.038 20 0 GGADMN C[C@H]1[C@@H](NCc2ccc(Br)cc2C(F)(F)F)CCS1(=O)=O ZINC000563556368 566895326 /nfs/dbraw/zinc/89/53/26/566895326.db2.gz UXRSPGJPGRVBLH-UFBFGSQYSA-N 0 1 386.233 3.133 20 0 GGADMN Cc1nc(CN2C[C@H]3CCCCN3c3cc(Br)c(F)cc32)n[nH]1 ZINC000428973427 566895245 /nfs/dbraw/zinc/89/52/45/566895245.db2.gz DCUOLEAURVSHJY-LLVKDONJSA-N 0 1 380.265 3.394 20 0 GGADMN O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000582794319 566895346 /nfs/dbraw/zinc/89/53/46/566895346.db2.gz JFYKBILETSXBFN-RDJZCZTQSA-N 0 1 377.282 3.073 20 0 GGADMN CC(=O)NCCN(Cc1n[nH]c(C(C)C)n1)Cc1ccc(Cl)cc1Cl ZINC000428974951 566895630 /nfs/dbraw/zinc/89/56/30/566895630.db2.gz GRUGRSXUBAWOTF-UHFFFAOYSA-N 0 1 384.311 3.373 20 0 GGADMN Cc1nc2ccccn2c1CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000428996322 566896634 /nfs/dbraw/zinc/89/66/34/566896634.db2.gz PKYWFYJTWRPIRH-OAHLLOKOSA-N 0 1 378.245 3.368 20 0 GGADMN CCCCN(C)C[C@@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000563577381 566896991 /nfs/dbraw/zinc/89/69/91/566896991.db2.gz MZCFAVUCZKXOOU-CQSZACIVSA-N 0 1 388.961 3.129 20 0 GGADMN COc1ccc(CCNCc2c(Cl)cccc2S(C)(=O)=O)c(OC)c1 ZINC000543650289 566897202 /nfs/dbraw/zinc/89/72/02/566897202.db2.gz MLDKAOBPXWHNEY-UHFFFAOYSA-N 0 1 383.897 3.093 20 0 GGADMN CC(C)CN1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000518632174 566897334 /nfs/dbraw/zinc/89/73/34/566897334.db2.gz CRDJHNRMMPPCQB-UHFFFAOYSA-N 0 1 383.330 3.408 20 0 GGADMN Cn1nc2c(c1NC(=O)c1cc(-c3ccc(Br)cc3)n[nH]1)CCC2 ZINC000518641843 566897404 /nfs/dbraw/zinc/89/74/04/566897404.db2.gz YVJDOLKQYASLEA-UHFFFAOYSA-N 0 1 386.253 3.314 20 0 GGADMN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1=CC[N@@H+](C)CC1 ZINC000543652348 566897548 /nfs/dbraw/zinc/89/75/48/566897548.db2.gz FBWJPKZGQXSBGP-NSHDSACASA-N 0 1 377.901 3.052 20 0 GGADMN Cc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1I ZINC000611199338 566897939 /nfs/dbraw/zinc/89/79/39/566897939.db2.gz YBXDSNCLAIOMEF-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CC1 ZINC000543658090 566898005 /nfs/dbraw/zinc/89/80/05/566898005.db2.gz VNNQAORCHMKNSL-UHFFFAOYSA-N 0 1 379.917 3.228 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253873 566898195 /nfs/dbraw/zinc/89/81/95/566898195.db2.gz LDZIYHOEBLKUJI-SNVBAGLBSA-N 0 1 381.263 3.211 20 0 GGADMN O=[S@](CCN[C@H](CO)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000429012310 566898337 /nfs/dbraw/zinc/89/83/37/566898337.db2.gz UAVGORXHDHMTCY-OPAMFIHVSA-N 0 1 386.286 3.019 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253567 566898864 /nfs/dbraw/zinc/89/88/64/566898864.db2.gz HEFREPDCARINQS-JTQLQIEISA-N 0 1 382.233 3.455 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cn1 ZINC000543658966 566898889 /nfs/dbraw/zinc/89/88/89/566898889.db2.gz RZVGMCIACHPGEF-UHFFFAOYSA-N 0 1 394.503 3.284 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000470726878 566899284 /nfs/dbraw/zinc/89/92/84/566899284.db2.gz PLBRQEVTKMBNHZ-KGLIPLIRSA-N 0 1 389.323 3.187 20 0 GGADMN C[C@@H]1C[C@H](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000582868997 566899738 /nfs/dbraw/zinc/89/97/38/566899738.db2.gz PMAXLHFCJXNARB-NXEZZACHSA-N 0 1 398.269 3.211 20 0 GGADMN CC[C@H](Cc1ccccc1Br)NC(=O)CSc1nnc(C)[nH]1 ZINC000470746240 566899831 /nfs/dbraw/zinc/89/98/31/566899831.db2.gz WIIQRFJODWBXMY-GFCCVEGCSA-N 0 1 383.315 3.105 20 0 GGADMN CC[C@H](Cc1ccccc1Br)NC(=O)CSc1nc(C)n[nH]1 ZINC000470746240 566899834 /nfs/dbraw/zinc/89/98/34/566899834.db2.gz WIIQRFJODWBXMY-GFCCVEGCSA-N 0 1 383.315 3.105 20 0 GGADMN O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000543683300 566900166 /nfs/dbraw/zinc/90/01/66/566900166.db2.gz IGJWHIUZQOUZCD-NSHDSACASA-N 0 1 387.221 3.244 20 0 GGADMN O=C(CN1CCOC[C@H](C2CCC2)C1)NCCc1cccc(Cl)c1Cl ZINC000429021471 566900547 /nfs/dbraw/zinc/90/05/47/566900547.db2.gz QIVDCUCPBSOHAI-MRXNPFEDSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H]1C[C@H](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000582869001 566900684 /nfs/dbraw/zinc/90/06/84/566900684.db2.gz PMAXLHFCJXNARB-VHSXEESVSA-N 0 1 398.269 3.211 20 0 GGADMN C[C@](CO)(NC[C@H](O)COc1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000451884757 566901205 /nfs/dbraw/zinc/90/12/05/566901205.db2.gz HACYWGGDHIDNBP-MAUKXSAKSA-N 0 1 388.266 3.370 20 0 GGADMN CCN(CCNC(=O)c1ccc(OC)cc1Br)CCC(F)(F)F ZINC000582881660 566901927 /nfs/dbraw/zinc/90/19/27/566901927.db2.gz DRFHOVVDIUHLQD-UHFFFAOYSA-N 0 1 397.235 3.462 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCCC(=O)Nc2cccc(Cl)c2)s1 ZINC000563617893 566902519 /nfs/dbraw/zinc/90/25/19/566902519.db2.gz KEFAVVQJDPUCSO-UHFFFAOYSA-N 0 1 386.926 3.314 20 0 GGADMN C[C@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)C(C)(F)F ZINC000563634048 566902541 /nfs/dbraw/zinc/90/25/41/566902541.db2.gz CLXWNOLTXHGXKA-LLVKDONJSA-N 0 1 390.272 3.431 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000543706488 566903870 /nfs/dbraw/zinc/90/38/70/566903870.db2.gz DAIQBJLJFKTEMS-LAVFITLUSA-N 0 1 392.341 3.431 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@@H]1C)c1nnc[nH]1 ZINC000543706543 566904233 /nfs/dbraw/zinc/90/42/33/566904233.db2.gz RHYUPPQWZGTWSZ-RVBZMBCESA-N 0 1 396.314 3.411 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000543706490 566904280 /nfs/dbraw/zinc/90/42/80/566904280.db2.gz DAIQBJLJFKTEMS-VDHUWJSZSA-N 0 1 392.341 3.431 20 0 GGADMN Brc1cc(CNCc2ccc3c(n2)CCC3)cc2c1OCCO2 ZINC000656493211 566904586 /nfs/dbraw/zinc/90/45/86/566904586.db2.gz RWZOVZMZOXZVNK-UHFFFAOYSA-N 0 1 375.266 3.394 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)C(=O)c2ccc(Cl)s2)[nH]1 ZINC000429041573 566905050 /nfs/dbraw/zinc/90/50/50/566905050.db2.gz MFCZKKICQDRQNJ-UHFFFAOYSA-N 0 1 383.857 3.465 20 0 GGADMN O=C(CCN[C@@H](CO)c1ccc(Br)c(F)c1)Nc1ccc(F)cc1 ZINC000429043583 566905442 /nfs/dbraw/zinc/90/54/42/566905442.db2.gz SROPXCFGJDOJBJ-INIZCTEOSA-N 0 1 399.235 3.379 20 0 GGADMN Ic1ccccc1OC1CCN(Cc2cn[nH]c2)CC1 ZINC000611275758 566905555 /nfs/dbraw/zinc/90/55/55/566905555.db2.gz SMSVAUJFZAHGBT-UHFFFAOYSA-N 0 1 383.233 3.058 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000582916302 566905717 /nfs/dbraw/zinc/90/57/17/566905717.db2.gz WXJZOOUUSREEHZ-AWEZNQCLSA-N 0 1 384.263 3.389 20 0 GGADMN NS(=O)(=O)C[C@H]1CCCN(Cc2cccc3c(Br)cccc23)C1 ZINC000429051577 566906347 /nfs/dbraw/zinc/90/63/47/566906347.db2.gz YEJVBYCIYNMZTF-ZDUSSCGKSA-N 0 1 397.338 3.103 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1csc(I)c1 ZINC000582931336 566907081 /nfs/dbraw/zinc/90/70/81/566907081.db2.gz LHHAKOSLQVWVKW-UHFFFAOYSA-N 0 1 396.213 3.390 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680408149 566907300 /nfs/dbraw/zinc/90/73/00/566907300.db2.gz GRDYUBMGFSDCFK-NSHDSACASA-N 0 1 391.191 3.310 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(I)cc2)c(O)c1 ZINC000611290767 566907480 /nfs/dbraw/zinc/90/74/80/566907480.db2.gz MOTVRWIUUWYKIH-UHFFFAOYSA-N 0 1 389.214 3.106 20 0 GGADMN CCN1CCN(c2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2)CC1 ZINC000429091655 566908091 /nfs/dbraw/zinc/90/80/91/566908091.db2.gz QRNHFQYGZHNDIB-UHFFFAOYSA-N 0 1 377.897 3.365 20 0 GGADMN CCC[C@H](C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000611304916 566908633 /nfs/dbraw/zinc/90/86/33/566908633.db2.gz KYHNRGRWMYXEFV-VIFPVBQESA-N 0 1 384.217 3.051 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000451923789 566909340 /nfs/dbraw/zinc/90/93/40/566909340.db2.gz HYUISNOJNDZFJZ-QGZVFWFLSA-N 0 1 378.563 3.074 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(OC(F)F)c1 ZINC000518917244 566909435 /nfs/dbraw/zinc/90/94/35/566909435.db2.gz JJKWTCRLCNWDFJ-UHFFFAOYSA-N 0 1 375.324 3.015 20 0 GGADMN CCCSc1nc(=NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s[n-]1 ZINC000543767400 566909416 /nfs/dbraw/zinc/90/94/16/566909416.db2.gz HCBXGSZDCNTTET-OLZOCXBDSA-N 0 1 383.587 3.237 20 0 GGADMN Cc1ccc(CCN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)nc1 ZINC000518907916 566909810 /nfs/dbraw/zinc/90/98/10/566909810.db2.gz YXCVXLKEIIGVDA-MRXNPFEDSA-N 0 1 395.322 3.203 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(Br)c(C)c2)cn1 ZINC000491571169 566909979 /nfs/dbraw/zinc/90/99/79/566909979.db2.gz ARHVGSMSCGXXLJ-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN CCO[C@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C12CCC2 ZINC000563725737 566910517 /nfs/dbraw/zinc/91/05/17/566910517.db2.gz QTWUNVJSCPREHT-SJORKVTESA-N 0 1 391.313 3.467 20 0 GGADMN CCO[C@H]1C[C@H](NCc2cn(-c3ccccc3Br)nn2)C12CCC2 ZINC000563725735 566910676 /nfs/dbraw/zinc/91/06/76/566910676.db2.gz QTWUNVJSCPREHT-IRXDYDNUSA-N 0 1 391.313 3.467 20 0 GGADMN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000611332876 566911280 /nfs/dbraw/zinc/91/12/80/566911280.db2.gz HRCMBBHCUZTQJT-LLVKDONJSA-N 0 1 384.270 3.206 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3Br)nn2)C12CCC2 ZINC000563725721 566911551 /nfs/dbraw/zinc/91/15/51/566911551.db2.gz QTWUNVJSCPREHT-DLBZAZTESA-N 0 1 391.313 3.467 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)c1cccs1 ZINC000518954355 566911631 /nfs/dbraw/zinc/91/16/31/566911631.db2.gz QCPHFPXAEULPTI-CYBMUJFWSA-N 0 1 393.408 3.268 20 0 GGADMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491585455 566911986 /nfs/dbraw/zinc/91/19/86/566911986.db2.gz DAKFFTGBWSEZRQ-MRXNPFEDSA-N 0 1 386.945 3.234 20 0 GGADMN NC(=O)[C@@H](NCCc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000470874754 566912044 /nfs/dbraw/zinc/91/20/44/566912044.db2.gz SWOJHIXEIIWHBB-INIZCTEOSA-N 0 1 390.306 3.418 20 0 GGADMN NC(=O)[C@H](NCCc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000470874758 566912073 /nfs/dbraw/zinc/91/20/73/566912073.db2.gz SWOJHIXEIIWHBB-MRXNPFEDSA-N 0 1 390.306 3.418 20 0 GGADMN COc1ccc2c(c1)CC[C@H](NCc1c(Cl)cccc1S(C)(=O)=O)C2 ZINC000680495519 566912518 /nfs/dbraw/zinc/91/25/18/566912518.db2.gz MOTRWKTVTIJPOC-HNNXBMFYSA-N 0 1 379.909 3.399 20 0 GGADMN Cc1nn(C)c2sc([C@H](C)NCc3cc(S(C)(=O)=O)ccc3F)cc12 ZINC000563737455 566912803 /nfs/dbraw/zinc/91/28/03/566912803.db2.gz FZWRLNXVXDWSPK-NSHDSACASA-N 0 1 381.498 3.337 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C)c1nnc[nH]1 ZINC000583000861 566913902 /nfs/dbraw/zinc/91/39/02/566913902.db2.gz YTEZXEVRBDEHTF-TVQRCGJNSA-N 0 1 378.274 3.251 20 0 GGADMN C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)C[C@@H](C2CC2)O1 ZINC000470908852 566914413 /nfs/dbraw/zinc/91/44/13/566914413.db2.gz KAZDKKMUXPKIQL-BZNIZROVSA-N 0 1 385.277 3.416 20 0 GGADMN C[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)C[C@H](C2CC2)O1 ZINC000470908853 566914889 /nfs/dbraw/zinc/91/48/89/566914889.db2.gz KAZDKKMUXPKIQL-MEDUHNTESA-N 0 1 385.277 3.416 20 0 GGADMN CC1CCC(N(C)C(=O)CN[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000543838366 566915040 /nfs/dbraw/zinc/91/50/40/566915040.db2.gz FKRAGMCTSQSUEZ-IMRCBTMISA-N 0 1 383.330 3.109 20 0 GGADMN COc1ccccc1O[C@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000583030601 566915238 /nfs/dbraw/zinc/91/52/38/566915238.db2.gz LGJRFNFGNHKHEO-SNVBAGLBSA-N 0 1 391.823 3.373 20 0 GGADMN C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)C[C@H](C2CC2)O1 ZINC000470908851 566915111 /nfs/dbraw/zinc/91/51/11/566915111.db2.gz KAZDKKMUXPKIQL-BDJLRTHQSA-N 0 1 385.277 3.416 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000518992836 566915186 /nfs/dbraw/zinc/91/51/86/566915186.db2.gz FYSMMFHGJGUJRU-CABCVRRESA-N 0 1 390.285 3.491 20 0 GGADMN O=C1C[C@H](CNCc2ncc(Br)s2)CN1Cc1ccccc1 ZINC000543849021 566915811 /nfs/dbraw/zinc/91/58/11/566915811.db2.gz FXCJYCFCVXBTAE-CYBMUJFWSA-N 0 1 380.311 3.044 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H](c1cccs1)C(C)(C)CO)c1cccs1 ZINC000656541481 566915819 /nfs/dbraw/zinc/91/58/19/566915819.db2.gz LWUVVXZSHFLGNO-XJKSGUPXSA-N 0 1 381.567 3.471 20 0 GGADMN Cc1ccccc1[C@@H](CO)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000543840973 566916016 /nfs/dbraw/zinc/91/60/16/566916016.db2.gz YSFNAQROVVSQCY-QGZVFWFLSA-N 0 1 377.282 3.328 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000543840620 566916463 /nfs/dbraw/zinc/91/64/63/566916463.db2.gz VKWRVHKQEJREOZ-KRWDZBQOSA-N 0 1 385.346 3.213 20 0 GGADMN CC(C)OC[C@H](CO)N(C)Cc1cc(Br)cc(Br)c1 ZINC000583052157 566916603 /nfs/dbraw/zinc/91/66/03/566916603.db2.gz VQPWFTPIJZOSMN-AWEZNQCLSA-N 0 1 395.135 3.429 20 0 GGADMN CC(C)N1CC[C@H](NCc2cc(Br)cc(Br)c2)C1=O ZINC000519025316 566916900 /nfs/dbraw/zinc/91/69/00/566916900.db2.gz OWLUKKSQWZKZJT-ZDUSSCGKSA-N 0 1 390.119 3.311 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000543858214 566917684 /nfs/dbraw/zinc/91/76/84/566917684.db2.gz JBMKGRXGTRALIU-UHFFFAOYSA-N 0 1 380.853 3.201 20 0 GGADMN COCCc1noc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000519044861 566918454 /nfs/dbraw/zinc/91/84/54/566918454.db2.gz KWGXWBHAWHZUNH-UHFFFAOYSA-N 0 1 396.270 3.098 20 0 GGADMN CNS(=O)(=O)CCN[C@H](c1sccc1Br)C1CCCCC1 ZINC000563817668 566919612 /nfs/dbraw/zinc/91/96/12/566919612.db2.gz SZHYGIHOPXRWPE-ZDUSSCGKSA-N 0 1 395.388 3.271 20 0 GGADMN CCc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)nn1 ZINC000680578231 566919938 /nfs/dbraw/zinc/91/99/38/566919938.db2.gz GHIIJBZSHRGELD-UHFFFAOYSA-N 0 1 387.241 3.147 20 0 GGADMN Cc1cc(NC(=O)CN[C@H]2c3cc(Br)ccc3CC2(C)C)no1 ZINC000429298833 566920478 /nfs/dbraw/zinc/92/04/78/566920478.db2.gz XZNKQSCREVIJLE-INIZCTEOSA-N 0 1 378.270 3.019 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000492013863 566920700 /nfs/dbraw/zinc/92/07/00/566920700.db2.gz NMHYKEQSMFNQSL-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN CC(=O)[C@H](NC(=O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C)C(C)C ZINC000429295905 566920773 /nfs/dbraw/zinc/92/07/73/566920773.db2.gz VPHKHDQVHCCJFL-QZTJIDSGSA-N 0 1 395.341 3.392 20 0 GGADMN C[C@H](NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1)c1nnc[nH]1 ZINC000491997044 566920749 /nfs/dbraw/zinc/92/07/49/566920749.db2.gz HYDHKBBWRBTJDO-LURJTMIESA-N 0 1 378.152 3.469 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(Br)cc(C(F)(F)F)c1)c1nnc[nH]1 ZINC000491997045 566920778 /nfs/dbraw/zinc/92/07/78/566920778.db2.gz HYDHKBBWRBTJDO-ZCFIWIBFSA-N 0 1 378.152 3.469 20 0 GGADMN CC(=O)[C@@H](NC(=O)CN[C@H]1c2cc(Br)ccc2CC1(C)C)C(C)C ZINC000429295907 566920842 /nfs/dbraw/zinc/92/08/42/566920842.db2.gz VPHKHDQVHCCJFL-ROUUACIJSA-N 0 1 395.341 3.392 20 0 GGADMN Cc1nn(C)c2ncc(CN[C@H](CO)c3ccc(Br)c(F)c3)cc12 ZINC000492023947 566920871 /nfs/dbraw/zinc/92/08/71/566920871.db2.gz NQMGSHRRJJLAFE-MRXNPFEDSA-N 0 1 393.260 3.002 20 0 GGADMN O=C(c1cc(Cl)cc(Cl)c1F)N1CCC[C@H](N2CCOCC2)CC1 ZINC000632880632 566920996 /nfs/dbraw/zinc/92/09/96/566920996.db2.gz WLSVWBUPVJOMJX-ZDUSSCGKSA-N 0 1 375.271 3.459 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2c3ccccc3O[C@@H]2C)sc1Br ZINC000519128447 566921554 /nfs/dbraw/zinc/92/15/54/566921554.db2.gz SYCATKRDCUMZAA-LDYMZIIASA-N 0 1 389.296 3.015 20 0 GGADMN O=S(=O)(CCN[C@@H]1Cc2cccc(O)c2C1)c1cc(Cl)ccc1Cl ZINC000429317381 566921956 /nfs/dbraw/zinc/92/19/56/566921956.db2.gz KQRMNNGYMANUIL-CYBMUJFWSA-N 0 1 386.300 3.230 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000470989937 566922251 /nfs/dbraw/zinc/92/22/51/566922251.db2.gz XLVSMAQJOVAKSZ-MRVPVSSYSA-N 0 1 391.191 3.148 20 0 GGADMN O=S1(=O)C[C@@H](N[C@H]2CCc3cc(Br)ccc3C2)c2ccccc21 ZINC000583111162 566922387 /nfs/dbraw/zinc/92/23/87/566922387.db2.gz KDXUKDVSPLHEGJ-DOTOQJQBSA-N 0 1 392.318 3.425 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000492084688 566922554 /nfs/dbraw/zinc/92/25/54/566922554.db2.gz QTEKGCQRHBYWNM-UHFFFAOYSA-N 0 1 383.265 3.394 20 0 GGADMN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000656615191 566923686 /nfs/dbraw/zinc/92/36/86/566923686.db2.gz ZTJIMCYKXBKEAB-CYBMUJFWSA-N 0 1 383.491 3.068 20 0 GGADMN O[C@@H](CN[C@H]1CCOc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000583138918 566923839 /nfs/dbraw/zinc/92/38/39/566923839.db2.gz OQSHRLUUXBTIQI-YOEHRIQHSA-N 0 1 396.256 3.441 20 0 GGADMN COc1ccc(CN[C@H]2Cc3cccc(O)c3C2)c(Br)c1OC ZINC000429326110 566924092 /nfs/dbraw/zinc/92/40/92/566924092.db2.gz HVRNPUZVBHXPGO-ZDUSSCGKSA-N 0 1 378.266 3.429 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000519141168 566924177 /nfs/dbraw/zinc/92/41/77/566924177.db2.gz PPVJYCLVFFVNIC-INMHGKMJSA-N 0 1 395.341 3.092 20 0 GGADMN CCSc1ccc(Cl)cc1NS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656620407 566924326 /nfs/dbraw/zinc/92/43/26/566924326.db2.gz BTXRGMLPNRCUNC-SMDDNHRTSA-N 0 1 379.931 3.245 20 0 GGADMN Cc1ccncc1[C@@H](C)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000563876373 566925286 /nfs/dbraw/zinc/92/52/86/566925286.db2.gz AHXJQNRIUDVERF-GFCCVEGCSA-N 0 1 388.320 3.326 20 0 GGADMN Cn1cnc2cc(CN[C@H](CO)c3ccc(Br)c(F)c3)ccc21 ZINC000492192807 566926277 /nfs/dbraw/zinc/92/62/77/566926277.db2.gz JUYAHCUDYAMTHI-MRXNPFEDSA-N 0 1 378.245 3.298 20 0 GGADMN CN1CCN(C)[C@H](CN[C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000492178282 566926991 /nfs/dbraw/zinc/92/69/91/566926991.db2.gz LERQPNVGOISAAI-XLIONFOSSA-N 0 1 388.353 3.374 20 0 GGADMN C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)cn1 ZINC000583178963 566927308 /nfs/dbraw/zinc/92/73/08/566927308.db2.gz WHGCUJCJQRBJAS-KDOFPFPSSA-N 0 1 390.325 3.262 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@H]1C(C)C ZINC000429370458 566927404 /nfs/dbraw/zinc/92/74/04/566927404.db2.gz DVCRFLJYYVHTCY-HZMBPMFUSA-N 0 1 398.257 3.112 20 0 GGADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1cccs1 ZINC000519226699 566927491 /nfs/dbraw/zinc/92/74/91/566927491.db2.gz VUSLPCOTWQSDMD-NSHDSACASA-N 0 1 394.440 3.054 20 0 GGADMN COc1c(F)cc(NS(=O)(=O)CCc2ccccc2F)c(OC)c1F ZINC000656630997 566928515 /nfs/dbraw/zinc/92/85/15/566928515.db2.gz HBSQTWQUIWBVHC-UHFFFAOYSA-N 0 1 375.368 3.106 20 0 GGADMN O=S(=O)(CCN[C@@H](c1cccs1)C1(CO)CCC1)c1ccc(F)cc1 ZINC000452057336 566928497 /nfs/dbraw/zinc/92/84/97/566928497.db2.gz GENQODOVEYVQBD-KRWDZBQOSA-N 0 1 383.510 3.154 20 0 GGADMN COC(=O)[C@H]1CCCCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000611576885 566929151 /nfs/dbraw/zinc/92/91/51/566929151.db2.gz YZASVOWCWHKJHS-OAHLLOKOSA-N 0 1 383.286 3.195 20 0 GGADMN Cc1cc(NC(=O)CN[C@H]2c3cccc(Br)c3CC2(C)C)no1 ZINC000429411350 566929446 /nfs/dbraw/zinc/92/94/46/566929446.db2.gz VFMQMCUECDGJDC-INIZCTEOSA-N 0 1 378.270 3.019 20 0 GGADMN CCCN(Cc1ccccc1Br)C(=O)[C@@H](C)CN1CCOCC1 ZINC000544027015 566929598 /nfs/dbraw/zinc/92/95/98/566929598.db2.gz SSIRQJLKRSOPRL-HNNXBMFYSA-N 0 1 383.330 3.156 20 0 GGADMN O=C(NCc1ccc(OCC2CC2)nc1)c1cccc(Br)c1O ZINC000519310765 566931138 /nfs/dbraw/zinc/93/11/38/566931138.db2.gz DHQKYRLMCVXYQZ-UHFFFAOYSA-N 0 1 377.238 3.269 20 0 GGADMN C[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1cc(F)ccc1F ZINC000656679609 566931383 /nfs/dbraw/zinc/93/13/83/566931383.db2.gz PXOPOCFCTSWOHX-SNVBAGLBSA-N 0 1 384.224 3.203 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000544035145 566931485 /nfs/dbraw/zinc/93/14/85/566931485.db2.gz ZKDAFBKKWRYXHX-KBXCAEBGSA-N 0 1 395.341 3.375 20 0 GGADMN O=S(=O)(CC1CCCCC1)NCc1nc2cccc(Br)c2[nH]1 ZINC000452082746 566931894 /nfs/dbraw/zinc/93/18/94/566931894.db2.gz KNIBGSHFUIQXNV-UHFFFAOYSA-N 0 1 386.315 3.325 20 0 GGADMN CCc1nc(C)c([C@H](C)NCc2ccc(S(=O)(=O)CCOC)cc2)s1 ZINC000429460592 566932338 /nfs/dbraw/zinc/93/23/38/566932338.db2.gz ZKOMEFMLDWLLPO-ZDUSSCGKSA-N 0 1 382.551 3.285 20 0 GGADMN COCCS(=O)(=O)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000429454243 566932645 /nfs/dbraw/zinc/93/26/45/566932645.db2.gz OMGOVJVORNHCES-SFHVURJKSA-N 0 1 377.531 3.433 20 0 GGADMN CN1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)C2(CCCCC2)C1 ZINC000611704692 566933686 /nfs/dbraw/zinc/93/36/86/566933686.db2.gz LLQQKNSJHIBEGR-UHFFFAOYSA-N 0 1 397.361 3.491 20 0 GGADMN COc1ccccc1CNC(=O)CN(C)CCc1ccc(Br)cc1 ZINC000519343564 566933987 /nfs/dbraw/zinc/93/39/87/566933987.db2.gz JGHPWPMWXGXVNY-UHFFFAOYSA-N 0 1 391.309 3.248 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)NCc2nc3ccc(F)cc3[nH]2)n1 ZINC000611682181 566934259 /nfs/dbraw/zinc/93/42/59/566934259.db2.gz LLRJRPVBIKDZLK-UHFFFAOYSA-N 0 1 394.248 3.346 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000519342924 566934356 /nfs/dbraw/zinc/93/43/56/566934356.db2.gz OJRGEOPNXPDVFU-HNNXBMFYSA-N 0 1 382.346 3.363 20 0 GGADMN CN(C)[C@H](CNC(=O)CCOCC(F)(F)C(F)F)c1ccc(Cl)cc1 ZINC000563989187 566934393 /nfs/dbraw/zinc/93/43/93/566934393.db2.gz XVGSCTHTJDSXQI-CYBMUJFWSA-N 0 1 384.801 3.366 20 0 GGADMN C[C@@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611662640 566934446 /nfs/dbraw/zinc/93/44/46/566934446.db2.gz QPRUKPOXIGJMSV-CYBMUJFWSA-N 0 1 387.355 3.380 20 0 GGADMN C[C@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)c1c(Cl)cccc1Cl ZINC000471183337 566934563 /nfs/dbraw/zinc/93/45/63/566934563.db2.gz RKQXCSKGEGLZSB-CYBMUJFWSA-N 0 1 388.339 3.195 20 0 GGADMN O=C(Nc1cc(Br)ccc1NC1CC1)[C@@H]1CCCc2n[nH]nc21 ZINC000611749204 566934974 /nfs/dbraw/zinc/93/49/74/566934974.db2.gz AOLTXGXQRFNUSC-LLVKDONJSA-N 0 1 376.258 3.200 20 0 GGADMN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000563998763 566934997 /nfs/dbraw/zinc/93/49/97/566934997.db2.gz MNUGFLDEMKTOJC-CYBMUJFWSA-N 0 1 376.925 3.361 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000452099313 566935542 /nfs/dbraw/zinc/93/55/42/566935542.db2.gz WMNMKBWMNPWGTH-GFCCVEGCSA-N 0 1 384.851 3.462 20 0 GGADMN COC(=O)c1csc(NS(=O)(=O)c2ccccc2-c2ccno2)c1C ZINC000611736816 566935691 /nfs/dbraw/zinc/93/56/91/566935691.db2.gz ZVYFAHZUEPANNC-UHFFFAOYSA-N 0 1 378.431 3.299 20 0 GGADMN CC1(CC(F)(F)F)CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000452106792 566936589 /nfs/dbraw/zinc/93/65/89/566936589.db2.gz OXCHAICCPFXYLN-UHFFFAOYSA-N 0 1 377.306 3.374 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000452107529 566936727 /nfs/dbraw/zinc/93/67/27/566936727.db2.gz SXAABQZPTZAOPN-LBPRGKRZSA-N 0 1 395.750 3.206 20 0 GGADMN O=C(Nc1cc(Br)ccc1NC1CC1)[C@H]1CCCc2n[nH]nc21 ZINC000611749207 566936992 /nfs/dbraw/zinc/93/69/92/566936992.db2.gz AOLTXGXQRFNUSC-NSHDSACASA-N 0 1 376.258 3.200 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)CCCNC(=O)C1CCC1 ZINC000429544481 566937103 /nfs/dbraw/zinc/93/71/03/566937103.db2.gz AEQXOKWCCQURSI-ZDUSSCGKSA-N 0 1 396.329 3.014 20 0 GGADMN CC(C)Nc1ccc(Br)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000611750601 566937346 /nfs/dbraw/zinc/93/73/46/566937346.db2.gz JLRRGJMYVXSVCF-LLVKDONJSA-N 0 1 378.274 3.446 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000680867094 566937943 /nfs/dbraw/zinc/93/79/43/566937943.db2.gz UVUJCHNLDYSPRA-INIZCTEOSA-N 0 1 395.341 3.393 20 0 GGADMN Cc1nn(C)c(CNC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1Br ZINC000564040252 566938503 /nfs/dbraw/zinc/93/85/03/566938503.db2.gz HFVLKXKDCJURPO-RDTXWAMCSA-N 0 1 380.330 3.210 20 0 GGADMN CS[C@@H](CNS(=O)(=O)c1nc(C)c(Br)s1)C(C)(C)C ZINC000544105036 566939158 /nfs/dbraw/zinc/93/91/58/566939158.db2.gz TWBBAUXONWQVOE-QMMMGPOBSA-N 0 1 387.390 3.270 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)CCCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000519446130 566939336 /nfs/dbraw/zinc/93/93/36/566939336.db2.gz VNHFHPKDZHSADW-SNVBAGLBSA-N 0 1 379.258 3.106 20 0 GGADMN CN(CC(=O)NC1(Cc2ccccc2Br)CC1)[C@@H]1CCSC1 ZINC000519447237 566939416 /nfs/dbraw/zinc/93/94/16/566939416.db2.gz HOHCNONARSEJSK-CQSZACIVSA-N 0 1 383.355 3.078 20 0 GGADMN O=S(=O)(Cc1cc(F)ccc1Br)Nc1ccc(C2CC2)nn1 ZINC000656733891 566940385 /nfs/dbraw/zinc/94/03/85/566940385.db2.gz PKLWQZHDTBOMHO-UHFFFAOYSA-N 0 1 386.246 3.198 20 0 GGADMN Clc1cnc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000680892268 566940501 /nfs/dbraw/zinc/94/05/01/566940501.db2.gz QBKDVDTYUKJROP-HNNXBMFYSA-N 0 1 377.945 3.230 20 0 GGADMN C/C=C/c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000519463909 566940633 /nfs/dbraw/zinc/94/06/33/566940633.db2.gz YSJKPOLVWHAPFK-NSCUHMNNSA-N 0 1 380.853 3.038 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c(Cl)c1 ZINC000564055022 566940867 /nfs/dbraw/zinc/94/08/67/566940867.db2.gz AEIGOARKBGJSOY-UHFFFAOYSA-N 0 1 380.853 3.042 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000544117516 566941007 /nfs/dbraw/zinc/94/10/07/566941007.db2.gz NDICAZVUQMKXDT-YOLKCXPHSA-N 0 1 376.806 3.389 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000583320832 566941477 /nfs/dbraw/zinc/94/14/77/566941477.db2.gz QOSHPWVSRFWOLI-KRWDZBQOSA-N 0 1 377.257 3.481 20 0 GGADMN C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130670 566941568 /nfs/dbraw/zinc/94/15/68/566941568.db2.gz ZYAGWOWKQVENDA-FIXISWKDSA-N 0 1 385.277 3.096 20 0 GGADMN C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130672 566941783 /nfs/dbraw/zinc/94/17/83/566941783.db2.gz ZYAGWOWKQVENDA-PGUXBMHVSA-N 0 1 385.277 3.096 20 0 GGADMN CCN(CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cnn(CC)c1 ZINC000656741188 566944186 /nfs/dbraw/zinc/94/41/86/566944186.db2.gz FLKGMPUHZNIVQF-UHFFFAOYSA-N 0 1 384.933 3.094 20 0 GGADMN C[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)S1 ZINC000583366868 566944237 /nfs/dbraw/zinc/94/42/37/566944237.db2.gz HDYCYPIEDTZCMS-UWVGGRQHSA-N 0 1 383.315 3.361 20 0 GGADMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)cc1 ZINC000656740589 566944601 /nfs/dbraw/zinc/94/46/01/566944601.db2.gz VKUNNRNHFUMXOA-UHFFFAOYSA-N 0 1 381.523 3.054 20 0 GGADMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000493284499 566945080 /nfs/dbraw/zinc/94/50/80/566945080.db2.gz WXAYXEJRLSCZKK-UHFFFAOYSA-N 0 1 399.303 3.157 20 0 GGADMN Cc1cc(N2CCC[C@H](N3CCc4cn[nH]c4C3)C2=O)ccc1Br ZINC000680985307 566945489 /nfs/dbraw/zinc/94/54/89/566945489.db2.gz LARCOZMCDFCPHW-KRWDZBQOSA-N 0 1 389.297 3.034 20 0 GGADMN Brc1ccccc1[C@H](NCCNc1cnccn1)c1ccccc1 ZINC000493246009 566945900 /nfs/dbraw/zinc/94/59/00/566945900.db2.gz GHIQFSFZNCKYSH-LJQANCHMSA-N 0 1 383.293 3.452 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCOC[C@@H]1C1CCC1 ZINC000583383944 566945983 /nfs/dbraw/zinc/94/59/83/566945983.db2.gz ZJEUKBYUIWCOCJ-CQSZACIVSA-N 0 1 390.281 3.480 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452168717 566946050 /nfs/dbraw/zinc/94/60/50/566946050.db2.gz DQGFVXWCNFLIAV-JTQLQIEISA-N 0 1 387.343 3.384 20 0 GGADMN CSCC[C@H](NCc1ccc(Br)cc1Cl)C(=O)N(C)C ZINC000564127131 566946247 /nfs/dbraw/zinc/94/62/47/566946247.db2.gz NQALGIWOIVRRFK-ZDUSSCGKSA-N 0 1 379.751 3.402 20 0 GGADMN O[C@H](CN[C@@H]1COCc2ccccc21)COc1ccc(Br)cc1 ZINC000583377029 566946582 /nfs/dbraw/zinc/94/65/82/566946582.db2.gz UNCOFYXRLOUUSN-CRAIPNDOSA-N 0 1 378.266 3.050 20 0 GGADMN O[C@H]([C@@H](Cc1ccccc1)NCc1cncc(Br)c1)C(F)(F)F ZINC000681007318 566946725 /nfs/dbraw/zinc/94/67/25/566946725.db2.gz KMKNCIXMTVMKPG-HUUCEWRRSA-N 0 1 389.215 3.468 20 0 GGADMN CCN(CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cncc(F)c1 ZINC000656741796 566947264 /nfs/dbraw/zinc/94/72/64/566947264.db2.gz WWEJEICVCFAHKK-UHFFFAOYSA-N 0 1 385.892 3.411 20 0 GGADMN C[C@H](c1ccccc1)[C@H](CO)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000680993260 566947394 /nfs/dbraw/zinc/94/73/94/566947394.db2.gz QOARSPACUMBMEY-YPMHNXCESA-N 0 1 392.253 3.346 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[N@H+](C2CC2)C1 ZINC000452171697 566947548 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CCc1nc(CNC(=O)c2c(C)onc2-c2cccc(Br)c2)n[nH]1 ZINC000452177840 566948959 /nfs/dbraw/zinc/94/89/59/566948959.db2.gz CNMVFYFYQYOUST-UHFFFAOYSA-N 0 1 390.241 3.023 20 0 GGADMN C[C@H]1CN(C(=O)CSc2cccc(Br)c2)CCN(C2CC2)C1 ZINC000452175627 566949052 /nfs/dbraw/zinc/94/90/52/566949052.db2.gz UEQRIKHUTBYRSK-CYBMUJFWSA-N 0 1 383.355 3.484 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681032566 566949062 /nfs/dbraw/zinc/94/90/62/566949062.db2.gz BVGIGVNBQLBDCN-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN C[C@H]1CC[C@H](N(CCO)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000429772816 566949778 /nfs/dbraw/zinc/94/97/78/566949778.db2.gz YFQMQPBNDUVNFZ-STQMWFEESA-N 0 1 380.286 3.482 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000583435927 566951040 /nfs/dbraw/zinc/95/10/40/566951040.db2.gz KLODJGKXOLZWJM-CYBMUJFWSA-N 0 1 380.275 3.410 20 0 GGADMN CCC[C@@H](NC(=O)c1cc2c(ccc(Br)c2C)[nH]1)c1nn[nH]n1 ZINC000612063032 566951419 /nfs/dbraw/zinc/95/14/19/566951419.db2.gz 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0 1 376.869 3.310 20 0 GGADMN CC[C@@H](NC[C@H](O)COc1ccccc1Br)c1ccc(F)cn1 ZINC000494040891 566969822 /nfs/dbraw/zinc/96/98/22/566969822.db2.gz UUVJXXOJNAAVDG-DZGCQCFKSA-N 0 1 383.261 3.464 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)C1 ZINC000544567495 566969847 /nfs/dbraw/zinc/96/98/47/566969847.db2.gz TWUSFDSFSKYKDO-UHFFFAOYSA-N 0 1 391.269 3.414 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000544580511 566970019 /nfs/dbraw/zinc/97/00/19/566970019.db2.gz XELRPPSYRVVSAM-UONOGXRCSA-N 0 1 382.961 3.450 20 0 GGADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452374881 566970857 /nfs/dbraw/zinc/97/08/57/566970857.db2.gz LIFGWORJSSYLJK-TZMCWYRMSA-N 0 1 391.364 3.437 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1ccc(Br)c(Cl)c1Cl ZINC000544628048 566974257 /nfs/dbraw/zinc/97/42/57/566974257.db2.gz UKXCVPBEILDJFT-UHFFFAOYSA-N 0 1 379.045 3.238 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)ccc1Br ZINC000519869109 566975683 /nfs/dbraw/zinc/97/56/83/566975683.db2.gz RENZUZVGENBUBW-AWEZNQCLSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)cc1O ZINC000544640954 566975925 /nfs/dbraw/zinc/97/59/25/566975925.db2.gz BBOSXEJKAZZRJJ-UHFFFAOYSA-N 0 1 384.251 3.199 20 0 GGADMN COc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c(I)c1 ZINC000471757885 566976165 /nfs/dbraw/zinc/97/61/65/566976165.db2.gz LSQQAERBWWCHCX-UHFFFAOYSA-N 0 1 393.184 3.428 20 0 GGADMN CCC(O)(CC)CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000471758080 566976356 /nfs/dbraw/zinc/97/63/56/566976356.db2.gz KYQGAKNTZVSZDQ-CQSZACIVSA-N 0 1 390.343 3.198 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@@H]1C ZINC000544638658 566976835 /nfs/dbraw/zinc/97/68/35/566976835.db2.gz INJIAAGXKKRYSP-RYUDHWBXSA-N 0 1 379.917 3.227 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000583712595 566977091 /nfs/dbraw/zinc/97/70/91/566977091.db2.gz MMIHYYWHRXZGMS-INIZCTEOSA-N 0 1 396.256 3.320 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccc(C)cc1Br ZINC000583738866 566978061 /nfs/dbraw/zinc/97/80/61/566978061.db2.gz ULHXCOOVQSOTPZ-UHFFFAOYSA-N 0 1 380.242 3.147 20 0 GGADMN CC(C)c1nc(CNC(=O)COc2ccc(Br)cc2Cl)n[nH]1 ZINC000452416472 566979114 /nfs/dbraw/zinc/97/91/14/566979114.db2.gz DOYAQVGUQBRSGR-UHFFFAOYSA-N 0 1 387.665 3.039 20 0 GGADMN C[NH+](C)CC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000564491199 566979653 /nfs/dbraw/zinc/97/96/53/566979653.db2.gz XZXDPDRFPAEECN-UHFFFAOYSA-N 0 1 392.297 3.117 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452421640 566979756 /nfs/dbraw/zinc/97/97/56/566979756.db2.gz QFGLNBNDMURTGB-NSHDSACASA-N 0 1 377.286 3.330 20 0 GGADMN CC(C)[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)N(C)C ZINC000519930888 566979731 /nfs/dbraw/zinc/97/97/31/566979731.db2.gz GSLFTYQMUXHFAY-GFCCVEGCSA-N 0 1 383.315 3.439 20 0 GGADMN CCOc1c(Br)cc(C(=O)NCc2n[nH]c(C(C)C)n2)cc1OC ZINC000452426315 566979933 /nfs/dbraw/zinc/97/99/33/566979933.db2.gz TZCBJXCFZAXELT-UHFFFAOYSA-N 0 1 397.273 3.028 20 0 GGADMN C[C@@](N)(C(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccccc1 ZINC000583753940 566980341 /nfs/dbraw/zinc/98/03/41/566980341.db2.gz SITARMNZZPUUDR-SFHVURJKSA-N 0 1 377.257 3.347 20 0 GGADMN OCCN(Cc1nc2ccc(Br)cc2[nH]1)Cc1cccc(F)c1 ZINC000494267926 566980652 /nfs/dbraw/zinc/98/06/52/566980652.db2.gz KMJLGQDKUSPBRL-UHFFFAOYSA-N 0 1 378.245 3.459 20 0 GGADMN CC(C)CN1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000519944294 566980739 /nfs/dbraw/zinc/98/07/39/566980739.db2.gz HVWHAUQUSOANCR-UHFFFAOYSA-N 0 1 391.313 3.253 20 0 GGADMN CCN1CCN(Cc2ncc(Br)cc2Br)C[C@@H]1C ZINC000681482872 566981527 /nfs/dbraw/zinc/98/15/27/566981527.db2.gz CMQIGBAHOWLRSI-JTQLQIEISA-N 0 1 377.124 3.133 20 0 GGADMN C/C(=C\c1ccccc1C(F)(F)F)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430092030 566981956 /nfs/dbraw/zinc/98/19/56/566981956.db2.gz WFYCCFAWVUHWHW-NRMKIYEFSA-N 0 1 376.444 3.074 20 0 GGADMN COCCN(Cc1ccc(Br)s1)C[C@H](O)COC(C)(C)C ZINC000494279444 566982618 /nfs/dbraw/zinc/98/26/18/566982618.db2.gz KLUVGTJFFFKXMF-LBPRGKRZSA-N 0 1 380.348 3.135 20 0 GGADMN CCO[C@@H]1COCC[C@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000544706288 566983991 /nfs/dbraw/zinc/98/39/91/566983991.db2.gz PIFFVNOEBKTSSA-GDBMZVCRSA-N 0 1 380.286 3.123 20 0 GGADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000520108546 566984419 /nfs/dbraw/zinc/98/44/19/566984419.db2.gz XDZIGPMXTINYKU-LBPRGKRZSA-N 0 1 399.248 3.317 20 0 GGADMN COC(=O)c1ccc(CN2CCOC[C@H](C3CCC3)C2)c(Br)c1 ZINC000430121992 566985220 /nfs/dbraw/zinc/98/52/20/566985220.db2.gz MYXPYQYBKLDQIC-MRXNPFEDSA-N 0 1 382.298 3.484 20 0 GGADMN O=C(Nc1ccc(Cn2ccnc2)cn1)c1cc(Br)cc2nc[nH]c21 ZINC000583829894 566986865 /nfs/dbraw/zinc/98/68/65/566986865.db2.gz VMVZSRAHKVIOCC-UHFFFAOYSA-N 0 1 397.236 3.218 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)N1CCCC[C@@H]1C ZINC000471930311 566987343 /nfs/dbraw/zinc/98/73/43/566987343.db2.gz XLDFOYROSQXTIQ-QWHCGFSZSA-N 0 1 387.933 3.128 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)N1CCN(C)CC1 ZINC000471952779 566988649 /nfs/dbraw/zinc/98/86/49/566988649.db2.gz IOXYPJNAYMJNRE-KDOFPFPSSA-N 0 1 386.367 3.485 20 0 GGADMN CC(C)(CNC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccccc1Br ZINC000612725466 566990425 /nfs/dbraw/zinc/99/04/25/566990425.db2.gz WGCXZIOVVJVTJZ-LLVKDONJSA-N 0 1 377.286 3.081 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)ccc1F ZINC000471979648 566991612 /nfs/dbraw/zinc/99/16/12/566991612.db2.gz PJURIJNGLZOTSR-UHFFFAOYSA-N 0 1 376.768 3.083 20 0 GGADMN CC1(C)CCN(CC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000520248914 566991800 /nfs/dbraw/zinc/99/18/00/566991800.db2.gz MMOHGWYZTAARQT-INIZCTEOSA-N 0 1 381.314 3.081 20 0 GGADMN CCOCCOc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000471982308 566991852 /nfs/dbraw/zinc/99/18/52/566991852.db2.gz YWRSCVQYQAZBSJ-UHFFFAOYSA-N 0 1 389.832 3.401 20 0 GGADMN CC(C)[N@H+](C)C[C@@H](C)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000564617042 566992901 /nfs/dbraw/zinc/99/29/01/566992901.db2.gz YFVLHFSRVXXWEV-SNVBAGLBSA-N 0 1 385.896 3.270 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNC1(Cc2ccccc2Br)CC1 ZINC000430150475 566993143 /nfs/dbraw/zinc/99/31/43/566993143.db2.gz SETNQAZNDYHLSD-UHFFFAOYSA-N 0 1 392.297 3.224 20 0 GGADMN COc1ccnc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000583877705 566993181 /nfs/dbraw/zinc/99/31/81/566993181.db2.gz VTHSTJWEMJQKOG-DLBZAZTESA-N 0 1 391.265 3.153 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000520265716 566993341 /nfs/dbraw/zinc/99/33/41/566993341.db2.gz PBMOJTMUEIEZSV-UHFFFAOYSA-N 0 1 399.377 3.423 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000681617947 566994879 /nfs/dbraw/zinc/99/48/79/566994879.db2.gz YLPZGCFJQAGZNU-IAGOWNOFSA-N 0 1 396.329 3.129 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)N(C)C1CC1 ZINC000564652526 566995380 /nfs/dbraw/zinc/99/53/80/566995380.db2.gz BPOUIYOONOZONR-JTQLQIEISA-N 0 1 395.750 3.005 20 0 GGADMN O[C@H](CN[C@H]1CCOc2c(F)cccc21)COc1ccc(Br)cc1 ZINC000564651363 566996345 /nfs/dbraw/zinc/99/63/45/566996345.db2.gz NAOVYFVQHMQSKF-DYVFJYSZSA-N 0 1 396.256 3.441 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(I)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC000583939789 566996488 /nfs/dbraw/zinc/99/64/88/566996488.db2.gz CUKYBCQHLABQKW-OTYXRUKQSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(I)cc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000583939790 566996567 /nfs/dbraw/zinc/99/65/67/566996567.db2.gz CUKYBCQHLABQKW-YMTOWFKASA-N 0 1 393.652 3.487 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(NCc3ncc(Cl)s3)CC2)cc1 ZINC000472039408 566996774 /nfs/dbraw/zinc/99/67/74/566996774.db2.gz TZPFSLQRIVOVQH-UHFFFAOYSA-N 0 1 399.969 3.349 20 0 GGADMN Cc1cc([C@H]2CCCN2CCCS(=O)(=O)N(C)C)ccc1Br ZINC000430217174 567000337 /nfs/dbraw/zinc/00/03/37/567000337.db2.gz IQTMWVQIMJHOHO-MRXNPFEDSA-N 0 1 389.359 3.176 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430214719 567000499 /nfs/dbraw/zinc/00/04/99/567000499.db2.gz BFHVGGLHMQJJLL-QILLFSRXSA-N 0 1 386.330 3.307 20 0 GGADMN CC[C@H](C)N(CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000520382347 567001888 /nfs/dbraw/zinc/00/18/88/567001888.db2.gz ARGRPOPMRWYNRW-JTQLQIEISA-N 0 1 397.235 3.499 20 0 GGADMN CCOc1c(Br)cc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1OC ZINC000583976716 567002080 /nfs/dbraw/zinc/00/20/80/567002080.db2.gz SEBZQACBJJKCIT-HIFRSBDPSA-N 0 1 397.313 3.099 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000494480628 567002852 /nfs/dbraw/zinc/00/28/52/567002852.db2.gz XMEIMMGXCJIWTL-KBPBESRZSA-N 0 1 391.313 3.190 20 0 GGADMN Brc1cccc2c1C[C@@H](NCc1nnnn1-c1ccccc1)CC2 ZINC000584000650 567003134 /nfs/dbraw/zinc/00/31/34/567003134.db2.gz QXVQQIIGJSNQPC-AWEZNQCLSA-N 0 1 384.281 3.072 20 0 GGADMN O=C(NC1CC1)N[C@@H]1CCN([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000544880494 567003746 /nfs/dbraw/zinc/00/37/46/567003746.db2.gz DDDDBTYZYSZAGZ-WBVHZDCISA-N 0 1 378.314 3.362 20 0 GGADMN COc1ccc(Br)c(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 ZINC000564737448 567004336 /nfs/dbraw/zinc/00/43/36/567004336.db2.gz ZOJPBGVXAMRMMF-INIZCTEOSA-N 0 1 381.314 3.194 20 0 GGADMN CC(C)NC(=O)CN(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472157646 567004381 /nfs/dbraw/zinc/00/43/81/567004381.db2.gz OIJWOIVPBNFNEY-UHFFFAOYSA-N 0 1 397.357 3.471 20 0 GGADMN CC(C)OCC[C@@H](O)CN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000472156238 567004400 /nfs/dbraw/zinc/00/44/00/567004400.db2.gz KTDIMKOFSYALEK-CHWSQXEVSA-N 0 1 388.302 3.047 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000494497723 567004585 /nfs/dbraw/zinc/00/45/85/567004585.db2.gz SPFCCDXKPJYDPA-UHFFFAOYSA-N 0 1 376.825 3.305 20 0 GGADMN CC(C)OCC[C@H](O)CN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000472156255 567005232 /nfs/dbraw/zinc/00/52/32/567005232.db2.gz KTDIMKOFSYALEK-STQMWFEESA-N 0 1 388.302 3.047 20 0 GGADMN O=C(CN(Cc1cccc(Br)c1)CC1(O)CCCCC1)N1CCC1 ZINC000472156401 567005499 /nfs/dbraw/zinc/00/54/99/567005499.db2.gz LBLXJBWXZXUNGJ-UHFFFAOYSA-N 0 1 395.341 3.179 20 0 GGADMN CCN(CC)CCS(=O)(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000564761801 567005868 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COC(=O)c1cc(CNC[C@@H](O)COc2ccc(Cl)cc2Cl)oc1C ZINC000520797269 567025934 /nfs/dbraw/zinc/02/59/34/567025934.db2.gz CQJSVQXTVUEOKZ-GFCCVEGCSA-N 0 1 388.247 3.211 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452861958 567026504 /nfs/dbraw/zinc/02/65/04/567026504.db2.gz KFVLCDBGHXZDDG-AWEZNQCLSA-N 0 1 377.286 3.296 20 0 GGADMN NC(=O)c1ccccc1CCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000472440230 567027280 /nfs/dbraw/zinc/02/72/80/567027280.db2.gz WUIMYOBSRISCCR-UHFFFAOYSA-N 0 1 397.656 3.478 20 0 GGADMN CO[C@@]1(C(F)(F)F)CCCN(C[C@H](O)COCc2ccccc2Cl)C1 ZINC000682041396 567027556 /nfs/dbraw/zinc/02/75/56/567027556.db2.gz YNHNUYAWZKGGJL-HOCLYGCPSA-N 0 1 381.822 3.261 20 0 GGADMN CO[C@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@H]1C ZINC000452871059 567028246 /nfs/dbraw/zinc/02/82/46/567028246.db2.gz IMYLIBDMBRERRJ-YPMHNXCESA-N 0 1 378.270 3.336 20 0 GGADMN CN(CCOc1ccc(Br)cc1)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000494836155 567028344 /nfs/dbraw/zinc/02/83/44/567028344.db2.gz UBJNINGLBWXJHP-UHFFFAOYSA-N 0 1 396.310 3.053 20 0 GGADMN Cc1cc(Cc2nnc(N(C)[C@@H](C)c3ccccc3Br)n2C)[nH]n1 ZINC000634316717 567030039 /nfs/dbraw/zinc/03/00/39/567030039.db2.gz BNZVQQVJNPUMAS-LBPRGKRZSA-N 0 1 389.301 3.397 20 0 GGADMN O=C(CCc1cc(Cl)ccc1Br)NCCN1CCSCC1 ZINC000430704813 567031005 /nfs/dbraw/zinc/03/10/05/567031005.db2.gz ZFQSESNKWXCIBP-UHFFFAOYSA-N 0 1 391.762 3.200 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)c3cc(-c4cccc(Br)c4)no3)[C@@H]2C1 ZINC000613330365 567031126 /nfs/dbraw/zinc/03/11/26/567031126.db2.gz VLNQBHQZXRVPAT-BLLLJJGKSA-N 0 1 390.281 3.270 20 0 GGADMN CNC(=O)[C@]1(C)CCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000430758401 567032211 /nfs/dbraw/zinc/03/22/11/567032211.db2.gz AINKVJQWAQIVGH-CQSZACIVSA-N 0 1 379.220 3.426 20 0 GGADMN O=C(CN[C@H](c1nnc[nH]1)C1CCCCC1)Nc1cccc(Br)c1 ZINC000520934265 567032281 /nfs/dbraw/zinc/03/22/81/567032281.db2.gz JAUJUZXTTWZFKP-INIZCTEOSA-N 0 1 392.301 3.417 20 0 GGADMN Brc1ccc2nc(CN3CCN(CCc4ccccc4)CC3)cn2c1 ZINC000613363441 567032867 /nfs/dbraw/zinc/03/28/67/567032867.db2.gz HOYXEJJPMALSBI-UHFFFAOYSA-N 0 1 399.336 3.457 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCN1CC(C)(C)O ZINC000494897209 567033027 /nfs/dbraw/zinc/03/30/27/567033027.db2.gz XWWSVYRNESWRKJ-JTQLQIEISA-N 0 1 378.275 3.441 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000472528944 567034175 /nfs/dbraw/zinc/03/41/75/567034175.db2.gz NELAMMHFEWDAOT-XJKSGUPXSA-N 0 1 384.293 3.180 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCN(C2CCC2)CC1 ZINC000472531134 567034333 /nfs/dbraw/zinc/03/43/33/567034333.db2.gz QLLBRKKFJWOXOL-WMLDXEAASA-N 0 1 396.304 3.324 20 0 GGADMN CCCN(CC1CC1)S(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000520985571 567034939 /nfs/dbraw/zinc/03/49/39/567034939.db2.gz OEQXERLUDLSLHW-UHFFFAOYSA-N 0 1 387.977 3.070 20 0 GGADMN Cc1noc(C)c1[C@H](C)NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000682219560 567037577 /nfs/dbraw/zinc/03/75/77/567037577.db2.gz RSIXXTMWTGMQHK-LKFCYVNXSA-N 0 1 387.249 3.284 20 0 GGADMN COc1ccc(CNc2nc3cc(OC)c(OC)cc3[nH]2)cc1Br ZINC000584390179 567037826 /nfs/dbraw/zinc/03/78/26/567037826.db2.gz DBTBYORMIUQMIZ-UHFFFAOYSA-N 0 1 392.253 3.385 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCN2CCC2)c2ccc(Cl)cc2)c1 ZINC000495009890 567037846 /nfs/dbraw/zinc/03/78/46/567037846.db2.gz RIAWBKCOIMMPCX-LJQANCHMSA-N 0 1 378.925 3.128 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000565104061 567038909 /nfs/dbraw/zinc/03/89/09/567038909.db2.gz IWSCWOPXXBZTAU-HNNXBMFYSA-N 0 1 377.238 3.498 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000565104061 567038911 /nfs/dbraw/zinc/03/89/11/567038911.db2.gz IWSCWOPXXBZTAU-HNNXBMFYSA-N 0 1 377.238 3.498 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCN2CCC2)c2ccc(Cl)cc2)c1 ZINC000495009889 567039055 /nfs/dbraw/zinc/03/90/55/567039055.db2.gz RIAWBKCOIMMPCX-IBGZPJMESA-N 0 1 378.925 3.128 20 0 GGADMN CC(C)c1nc(C[N@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000565111942 567039869 /nfs/dbraw/zinc/03/98/69/567039869.db2.gz OCQWJKRPMYMWIG-UONOGXRCSA-N 0 1 394.269 3.256 20 0 GGADMN CC(C)c1nc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000565111942 567039879 /nfs/dbraw/zinc/03/98/79/567039879.db2.gz OCQWJKRPMYMWIG-UONOGXRCSA-N 0 1 394.269 3.256 20 0 GGADMN COc1ccc(C[S@@](=O)Cc2n[nH]c(C(C)(C)C)n2)cc1Br ZINC000430926590 567039956 /nfs/dbraw/zinc/03/99/56/567039956.db2.gz OIAYKEDIPSYXCO-JOCHJYFZSA-N 0 1 386.315 3.322 20 0 GGADMN COC1(C(F)(F)F)CC[NH+](CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000521070901 567039932 /nfs/dbraw/zinc/03/99/32/567039932.db2.gz QXQWHFCBSLEIDV-UHFFFAOYSA-N 0 1 381.778 3.460 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2cc(Br)cs2)cn1 ZINC000495037811 567040083 /nfs/dbraw/zinc/04/00/83/567040083.db2.gz MDSVJCXOCMHACU-UHFFFAOYSA-N 0 1 380.271 3.047 20 0 GGADMN COC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1Br ZINC000495021741 567040214 /nfs/dbraw/zinc/04/02/14/567040214.db2.gz APGZOYNWHCFIPC-GFCCVEGCSA-N 0 1 393.241 3.158 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc2c(c1)CCO2 ZINC000521080766 567040402 /nfs/dbraw/zinc/04/04/02/567040402.db2.gz JRFXBHDWXZWCKM-UHFFFAOYSA-N 0 1 385.221 3.421 20 0 GGADMN Cc1oc(C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)cc1C(=O)[O-] ZINC000565108320 567040822 /nfs/dbraw/zinc/04/08/22/567040822.db2.gz XFBNKVMPQBPENO-UHFFFAOYSA-N 0 1 382.210 3.409 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1CCOc1ccc(Cl)cc1Cl ZINC000613477972 567040737 /nfs/dbraw/zinc/04/07/37/567040737.db2.gz KQZUAMJJAXFOMH-CQSZACIVSA-N 0 1 395.352 3.166 20 0 GGADMN Cc1oc(C[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)cc1C(=O)[O-] ZINC000565108320 567040825 /nfs/dbraw/zinc/04/08/25/567040825.db2.gz XFBNKVMPQBPENO-UHFFFAOYSA-N 0 1 382.210 3.409 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000565108068 567040852 /nfs/dbraw/zinc/04/08/52/567040852.db2.gz YWQFCAFCDHPOHX-MRXNPFEDSA-N 0 1 394.265 3.019 20 0 GGADMN CC[C@H]1C(=O)N(c2ncc(Br)cn2)N=C1c1cccc(OC)c1 ZINC000634596056 567040902 /nfs/dbraw/zinc/04/09/02/567040902.db2.gz 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O=C(CCN1C[C@]2(CCCO2)[C@H]1C1CC1)Nc1cccc(Br)c1 ZINC000453030683 567045639 /nfs/dbraw/zinc/04/56/39/567045639.db2.gz YOLDSBGIFHHVDZ-QZTJIDSGSA-N 0 1 379.298 3.421 20 0 GGADMN COc1cc([C@@H](C)NCc2cncc(Br)c2C)ccc1OCCO ZINC000657326304 567045916 /nfs/dbraw/zinc/04/59/16/567045916.db2.gz OVLLSCXBHWGUBY-CYBMUJFWSA-N 0 1 395.297 3.383 20 0 GGADMN CN(CCN(C)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C1CC1 ZINC000472695614 567045971 /nfs/dbraw/zinc/04/59/71/567045971.db2.gz ZAMNWDVBUNMCFV-UHFFFAOYSA-N 0 1 381.567 3.309 20 0 GGADMN Cc1c(Br)cncc1CNCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000657310766 567046746 /nfs/dbraw/zinc/04/67/46/567046746.db2.gz DTMHQZMPHAVOFF-ZDUSSCGKSA-N 0 1 391.313 3.062 20 0 GGADMN CCCSc1cccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)n1 ZINC000634659294 567046762 /nfs/dbraw/zinc/04/67/62/567046762.db2.gz ISADFCAFWTURPW-UHFFFAOYSA-N 0 1 379.507 3.367 20 0 GGADMN CN(CCN(C)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000472692423 567046838 /nfs/dbraw/zinc/04/68/38/567046838.db2.gz 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567051368 /nfs/dbraw/zinc/05/13/68/567051368.db2.gz GUEXJAFWEIGRCC-RYUDHWBXSA-N 0 1 394.212 3.115 20 0 GGADMN CC(C)n1ccnc1CNCCC(=O)N(C)Cc1ccccc1Br ZINC000657357990 567051414 /nfs/dbraw/zinc/05/14/14/567051414.db2.gz SNOFURMECBFIPV-UHFFFAOYSA-N 0 1 393.329 3.365 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000472761643 567051485 /nfs/dbraw/zinc/05/14/85/567051485.db2.gz GNFQHFMKVHZICP-ZDUSSCGKSA-N 0 1 379.555 3.104 20 0 GGADMN Cc1c(Br)cncc1CNCc1cc(F)ccc1N1CCOCC1 ZINC000657373202 567052171 /nfs/dbraw/zinc/05/21/71/567052171.db2.gz PVNKBQXBZCRSJY-UHFFFAOYSA-N 0 1 394.288 3.418 20 0 GGADMN Cc1cc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252739 567052672 /nfs/dbraw/zinc/05/26/72/567052672.db2.gz CXOUUSSSJSDFIX-BBRMVZONSA-N 0 1 387.929 3.014 20 0 GGADMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453096044 567053062 /nfs/dbraw/zinc/05/30/62/567053062.db2.gz OGPFWJZHXKOLBL-WKEGUHRASA-N 0 1 377.119 3.004 20 0 GGADMN 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O=C(Nc1nc(SCCO)n[nH]1)c1sc2ccccc2c1Br ZINC000565413694 567065888 /nfs/dbraw/zinc/06/58/88/567065888.db2.gz DWPKNEBKVTWMQU-UHFFFAOYSA-N 0 1 399.295 3.119 20 0 GGADMN O=S(=O)(Cc1cc(Cl)ccc1F)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000431223690 567067145 /nfs/dbraw/zinc/06/71/45/567067145.db2.gz KPBXZZHRULONQJ-QGZVFWFLSA-N 0 1 382.888 3.173 20 0 GGADMN COc1cc(CN[C@H]2COc3ccc(F)cc3C2)c(Br)cc1O ZINC000565445135 567068426 /nfs/dbraw/zinc/06/84/26/567068426.db2.gz WMBNVHSDPVNOLP-CYBMUJFWSA-N 0 1 382.229 3.396 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)n[nH]1 ZINC000473224469 567068422 /nfs/dbraw/zinc/06/84/22/567068422.db2.gz SKIKLKFCFKYSLX-BHDSKKPTSA-N 0 1 393.285 3.262 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1Br ZINC000521604550 567068692 /nfs/dbraw/zinc/06/86/92/567068692.db2.gz HNESQIAVBFWHBB-NSHDSACASA-N 0 1 385.331 3.390 20 0 GGADMN COc1cc(F)c([C@H](C)NCCn2cc(Br)ccc2=O)cc1OC ZINC000453255344 567068971 /nfs/dbraw/zinc/06/89/71/567068971.db2.gz 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ZINC000453282673 567072319 /nfs/dbraw/zinc/07/23/19/567072319.db2.gz URLNOPWCSFEBQJ-JKSUJKDBSA-N 0 1 380.337 3.364 20 0 GGADMN CS(=O)(=O)Nc1cccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000657587728 567072523 /nfs/dbraw/zinc/07/25/23/567072523.db2.gz WKKZQQCCFGSBBF-OAHLLOKOSA-N 0 1 380.432 3.038 20 0 GGADMN CCCC[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000453282659 567072809 /nfs/dbraw/zinc/07/28/09/567072809.db2.gz URLNOPWCSFEBQJ-CVEARBPZSA-N 0 1 380.337 3.364 20 0 GGADMN CSc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000657581726 567072896 /nfs/dbraw/zinc/07/28/96/567072896.db2.gz KAZIQOHAPNVZFK-STQMWFEESA-N 0 1 383.945 3.237 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000453297237 567072948 /nfs/dbraw/zinc/07/29/48/567072948.db2.gz HVQCOBDTKHQXAT-QGZVFWFLSA-N 0 1 380.510 3.403 20 0 GGADMN CC[C@](C)(CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000453294414 567072973 /nfs/dbraw/zinc/07/29/73/567072973.db2.gz FNQZLDJXBMXLHK-DZGCQCFKSA-N 0 1 376.316 3.072 20 0 GGADMN CC[C@@H](CNS(C)(=O)=O)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000453282214 567073043 /nfs/dbraw/zinc/07/30/43/567073043.db2.gz LMUJYHFWOWNJJK-GWCFXTLKSA-N 0 1 381.325 3.125 20 0 GGADMN C[C@@H]1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)N1C1CCC1 ZINC000584829738 567073472 /nfs/dbraw/zinc/07/34/72/567073472.db2.gz VQRGVONNXIPVPA-SECBINFHSA-N 0 1 377.242 3.031 20 0 GGADMN CCCN(CCN(C)C)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000496339149 567074081 /nfs/dbraw/zinc/07/40/81/567074081.db2.gz JOXFQBMHUMZJOU-CQSZACIVSA-N 0 1 383.330 3.458 20 0 GGADMN Cc1c([C@H](C)NCCC2(CO)CC2)nnn1-c1cccc(Br)c1 ZINC000453332167 567074105 /nfs/dbraw/zinc/07/41/05/567074105.db2.gz FVYOWQRQNILGBH-LBPRGKRZSA-N 0 1 379.302 3.151 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(OCC)c2)cc1 ZINC000521669834 567074016 /nfs/dbraw/zinc/07/40/16/567074016.db2.gz PCGHZPGGZZJOHN-UHFFFAOYSA-N 0 1 383.491 3.070 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000473352797 567074914 /nfs/dbraw/zinc/07/49/14/567074914.db2.gz UPTYBCOAEZFDCP-UHFFFAOYSA-N 0 1 379.136 3.037 20 0 GGADMN CO[C@](C)(CNCc1c(Br)c(C)nn1C)COCc1ccccc1 ZINC000657591494 567075002 /nfs/dbraw/zinc/07/50/02/567075002.db2.gz HZQYHEMSFGNBLJ-GOSISDBHSA-N 0 1 396.329 3.203 20 0 GGADMN O=C(Cc1ccc(Br)cc1)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473371115 567075266 /nfs/dbraw/zinc/07/52/66/567075266.db2.gz IMOUMPRVHPWUBK-MRXNPFEDSA-N 0 1 385.265 3.210 20 0 GGADMN Cc1n[n-]c(=[NH+]Cc2cc(Br)cc(Br)c2)n1C1CC1 ZINC000584864076 567075569 /nfs/dbraw/zinc/07/55/69/567075569.db2.gz HZPDGUUMQAVYKA-UHFFFAOYSA-N 0 1 386.091 3.480 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2ncc(Br)cc2F)C[C@H]1c1ccccc1 ZINC000635018556 567075487 /nfs/dbraw/zinc/07/54/87/567075487.db2.gz OTCYIVRFTUDSPC-UONOGXRCSA-N 0 1 379.229 3.283 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ncc(Br)cc2F)C[C@H]1c1ccccc1 ZINC000635018556 567075491 /nfs/dbraw/zinc/07/54/91/567075491.db2.gz OTCYIVRFTUDSPC-UONOGXRCSA-N 0 1 379.229 3.283 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2ccc(Br)cc2OC(C)C)n[nH]1 ZINC000496555514 567075579 /nfs/dbraw/zinc/07/55/79/567075579.db2.gz VNUKJVUVYVWMBO-SNVBAGLBSA-N 0 1 381.274 3.408 20 0 GGADMN CN(CC(=O)NCCc1c[nH]c2cccc(Br)c12)[C@@H]1CCSC1 ZINC000521702025 567075988 /nfs/dbraw/zinc/07/59/88/567075988.db2.gz OYHWXRGULWYJIU-CYBMUJFWSA-N 0 1 396.354 3.026 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc(F)ccc1Br ZINC000473374771 567076228 /nfs/dbraw/zinc/07/62/28/567076228.db2.gz CDRLRSDFUSBXOH-HNNXBMFYSA-N 0 1 389.228 3.420 20 0 GGADMN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000521692322 567076596 /nfs/dbraw/zinc/07/65/96/567076596.db2.gz SUWMIMDHXZYPKW-GFCCVEGCSA-N 0 1 380.407 3.093 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000473373863 567076754 /nfs/dbraw/zinc/07/67/54/567076754.db2.gz RLXJWLMFGRPKQG-UONOGXRCSA-N 0 1 389.323 3.066 20 0 GGADMN COc1ccc(OC)c(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000584875420 567077112 /nfs/dbraw/zinc/07/71/12/567077112.db2.gz LUPNVTBLZNERPD-MRXNPFEDSA-N 0 1 380.238 3.382 20 0 GGADMN CNS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000584870641 567077560 /nfs/dbraw/zinc/07/75/60/567077560.db2.gz GWRLFVBJDZIFRT-UHFFFAOYSA-N 0 1 399.969 3.087 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@H](Oc2ccccc2Br)C(C)C)n[nH]1 ZINC000496705848 567077962 /nfs/dbraw/zinc/07/79/62/567077962.db2.gz DOXJKAKDBIUDBO-XHDPSFHLSA-N 0 1 395.301 3.410 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000565550543 567078307 /nfs/dbraw/zinc/07/83/07/567078307.db2.gz RGTFADOWQCWLBR-MDZLAQPJSA-N 0 1 380.286 3.409 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000496687590 567078314 /nfs/dbraw/zinc/07/83/14/567078314.db2.gz AROHJEFYEXAUGC-DTTOXWODSA-N 0 1 395.341 3.168 20 0 GGADMN O=S(=O)(Cc1ccc(Br)cc1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000565571678 567079877 /nfs/dbraw/zinc/07/98/77/567079877.db2.gz QTGHENYMHASLBL-UHFFFAOYSA-N 0 1 384.177 3.133 20 0 GGADMN Cc1ccccc1C[C@H](NCc1nn(C)cc1I)C1CC1 ZINC000453361534 567080175 /nfs/dbraw/zinc/08/01/75/567080175.db2.gz KIOYVHCTMSADPA-INIZCTEOSA-N 0 1 395.288 3.444 20 0 GGADMN O=C(CCOCC(F)(F)C(F)(F)F)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000682898557 567081448 /nfs/dbraw/zinc/08/14/48/567081448.db2.gz QJCCRKFAOFVGRB-UHFFFAOYSA-N 0 1 385.720 3.437 20 0 GGADMN CC(C)(O)C(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453375762 567081695 /nfs/dbraw/zinc/08/16/95/567081695.db2.gz UHCLXEHQPMOKCH-ZDUSSCGKSA-N 0 1 390.343 3.054 20 0 GGADMN CC(C)(CS(C)(=O)=O)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000545872491 567083334 /nfs/dbraw/zinc/08/33/34/567083334.db2.gz LOAPAEDNBQDCMP-UHFFFAOYSA-N 0 1 388.249 3.381 20 0 GGADMN CSc1ccc([C@@H](CNC(=O)C(=O)Nc2ccsc2C)N(C)C)cc1 ZINC000635178090 567083322 /nfs/dbraw/zinc/08/33/22/567083322.db2.gz VBSOFKDSVPBCTJ-MRXNPFEDSA-N 0 1 377.535 3.136 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)NCc1sc(C)cc1Br ZINC000453574085 567092391 /nfs/dbraw/zinc/09/23/91/567092391.db2.gz QMGXZPUKSIIFQX-ZDUSSCGKSA-N 0 1 377.348 3.086 20 0 GGADMN Cc1nnc(SCC(=O)N2CC=C(c3cccc(Br)c3)CC2)[nH]1 ZINC000545879277 567083878 /nfs/dbraw/zinc/08/38/78/567083878.db2.gz CJPMSGHLVVXJRS-UHFFFAOYSA-N 0 1 393.310 3.284 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000545879277 567083885 /nfs/dbraw/zinc/08/38/85/567083885.db2.gz CJPMSGHLVVXJRS-UHFFFAOYSA-N 0 1 393.310 3.284 20 0 GGADMN Cc1c([C@H](C)NC[C@H](O)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000453378684 567084035 /nfs/dbraw/zinc/08/40/35/567084035.db2.gz JFIJXALDMODITF-ZBEGNZNMSA-N 0 1 379.302 3.150 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N(C)C(C)C)n2)cc1Br ZINC000473504106 567084582 /nfs/dbraw/zinc/08/45/82/567084582.db2.gz ARFNZYXYCDJOPZ-UHFFFAOYSA-N 0 1 399.314 3.202 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccc(Br)c2cccnc12)C1CCOCC1 ZINC000521873749 567085233 /nfs/dbraw/zinc/08/52/33/567085233.db2.gz MPDZLIWDXXNGSB-UHFFFAOYSA-N 0 1 393.281 3.453 20 0 GGADMN COc1ccc(Br)cc1C[C@@H](CO)CN[C@@H](C)c1nccs1 ZINC000453389200 567085665 /nfs/dbraw/zinc/08/56/65/567085665.db2.gz WWMLHBLWRFCDON-NWDGAFQWSA-N 0 1 385.327 3.416 20 0 GGADMN CCc1ncc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000545890515 567085675 /nfs/dbraw/zinc/08/56/75/567085675.db2.gz LTSYLCQBKWTZSX-ZBFHGGJFSA-N 0 1 379.551 3.037 20 0 GGADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453413289 567087245 /nfs/dbraw/zinc/08/72/45/567087245.db2.gz SPSKMTSAYSDXJA-OWYVNGRQSA-N 0 1 381.325 3.249 20 0 GGADMN OC[C@H](CNCc1ncc(Br)cc1Br)CC1CC1 ZINC000657715033 567087274 /nfs/dbraw/zinc/08/72/74/567087274.db2.gz IRWIUQQSDPAHPF-JTQLQIEISA-N 0 1 378.108 3.105 20 0 GGADMN CCC(C)(C)OCCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453415283 567087538 /nfs/dbraw/zinc/08/75/38/567087538.db2.gz UFAQBARKKPIRBO-SNVBAGLBSA-N 0 1 383.341 3.497 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N(CCO)Cc2ccc(Br)s2)c1 ZINC000682993186 567088975 /nfs/dbraw/zinc/08/89/75/567088975.db2.gz RNFVSDJHJBJMHM-UHFFFAOYSA-N 0 1 394.294 3.330 20 0 GGADMN Cc1cc(Br)c(CNCc2ccc(N3CCOCC3)nc2)s1 ZINC000453567381 567090377 /nfs/dbraw/zinc/09/03/77/567090377.db2.gz GKVHPRBDDQNZIO-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN Cc1cc(Br)c(CN2CCC(c3ccnn3CCO)CC2)s1 ZINC000453566997 567090422 /nfs/dbraw/zinc/09/04/22/567090422.db2.gz UGFXRUPXZSTUNZ-UHFFFAOYSA-N 0 1 384.343 3.387 20 0 GGADMN CN(C(=O)c1cc(Cl)ccc1NS(C)(=O)=O)c1ccc2cc[nH]c2c1 ZINC000473581066 567090519 /nfs/dbraw/zinc/09/05/19/567090519.db2.gz GDCJHNCLORKWLZ-UHFFFAOYSA-N 0 1 377.853 3.469 20 0 GGADMN CSCc1cnc(CN[C@H](C)CN2CCN(c3ccccc3)CC2)s1 ZINC000565705172 567091054 /nfs/dbraw/zinc/09/10/54/567091054.db2.gz HMEULIALNXMBSX-MRXNPFEDSA-N 0 1 376.595 3.306 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000545964173 567091602 /nfs/dbraw/zinc/09/16/02/567091602.db2.gz IZQFSWMZUQDGNP-SHTZXODSSA-N 0 1 386.323 3.261 20 0 GGADMN C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000521995349 567092079 /nfs/dbraw/zinc/09/20/79/567092079.db2.gz KYEFMHJJIRZRBA-JSGCOSHPSA-N 0 1 390.281 3.416 20 0 GGADMN C[C@H]1CC[C@H](C(F)(F)F)CN1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000683021529 567092063 /nfs/dbraw/zinc/09/20/63/567092063.db2.gz GHLWLKHJSZONEZ-HOCLYGCPSA-N 0 1 378.460 3.111 20 0 GGADMN Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1C ZINC000453577757 567092429 /nfs/dbraw/zinc/09/24/29/567092429.db2.gz NRXHKSCWFNNMOL-OAHLLOKOSA-N 0 1 379.913 3.376 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000683046224 567092566 /nfs/dbraw/zinc/09/25/66/567092566.db2.gz YSGCUBYORXVUFU-CABCVRRESA-N 0 1 388.295 3.065 20 0 GGADMN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000683021530 567092802 /nfs/dbraw/zinc/09/28/02/567092802.db2.gz GHLWLKHJSZONEZ-ZBFHGGJFSA-N 0 1 378.460 3.111 20 0 GGADMN O=C(Nc1cnccc1-n1ccnc1)C1(c2cncc(Br)c2)CC1 ZINC000545978344 567094018 /nfs/dbraw/zinc/09/40/18/567094018.db2.gz NQFIQFIIPVPDJI-UHFFFAOYSA-N 0 1 384.237 3.095 20 0 GGADMN CNC(=O)COc1cccc(CNCc2sc(C)cc2Br)c1 ZINC000453586149 567094332 /nfs/dbraw/zinc/09/43/32/567094332.db2.gz IZSSOIAIIDRECL-UHFFFAOYSA-N 0 1 383.311 3.234 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000657761283 567094783 /nfs/dbraw/zinc/09/47/83/567094783.db2.gz IIHHMCDCIKVURS-SECBINFHSA-N 0 1 381.889 3.119 20 0 GGADMN COc1cc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)sc1Br ZINC000497409797 567095262 /nfs/dbraw/zinc/09/52/62/567095262.db2.gz AJPJZWDAELPEPH-CHWSQXEVSA-N 0 1 395.322 3.347 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000657911405 567103376 /nfs/dbraw/zinc/10/33/76/567103376.db2.gz DWBWUDQTYNXSFY-JTQLQIEISA-N 0 1 383.739 3.081 20 0 GGADMN COc1ccc(CNC[C@@H](O)[C@@H](C)c2ccccc2)c(Br)c1O ZINC000657795257 567095959 /nfs/dbraw/zinc/09/59/59/567095959.db2.gz FBGOJHDSCJLFKM-SWLSCSKDSA-N 0 1 380.282 3.418 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](O)[C@H](C)c1ccccc1 ZINC000657796616 567096617 /nfs/dbraw/zinc/09/66/17/567096617.db2.gz WYSQWLWKTNBQDY-KDOFPFPSSA-N 0 1 381.925 3.388 20 0 GGADMN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)[C@@H]1CCCc2n[nH]nc21 ZINC000614244164 567096936 /nfs/dbraw/zinc/09/69/36/567096936.db2.gz IJIBRPWFNXBDQP-SECBINFHSA-N 0 1 378.820 3.174 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)CCO1 ZINC000497446254 567098134 /nfs/dbraw/zinc/09/81/34/567098134.db2.gz SJLVEOBOIVYZIB-ZDUSSCGKSA-N 0 1 387.307 3.084 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCCc1ccncc1 ZINC000565780701 567098235 /nfs/dbraw/zinc/09/82/35/567098235.db2.gz HHYFJVKXDDPJNI-KRWDZBQOSA-N 0 1 375.266 3.288 20 0 GGADMN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc2ccncc2s1 ZINC000657830535 567099020 /nfs/dbraw/zinc/09/90/20/567099020.db2.gz JYJSLHCMOMWWBT-ZDUSSCGKSA-N 0 1 375.519 3.397 20 0 GGADMN COc1cc(CNC(=O)[C@@H]2CCN2C2CCCC2)cc(Br)c1OC ZINC000635462638 567099268 /nfs/dbraw/zinc/09/92/68/567099268.db2.gz VUDGQAUVXMAKNV-HNNXBMFYSA-N 0 1 397.313 3.099 20 0 GGADMN Cc1cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc(C)c1Br ZINC000683155920 567099380 /nfs/dbraw/zinc/09/93/80/567099380.db2.gz UNMYNMBDTZGNDE-JKSUJKDBSA-N 0 1 396.329 3.129 20 0 GGADMN Cc1cc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc(C)c1Br ZINC000683155918 567099862 /nfs/dbraw/zinc/09/98/62/567099862.db2.gz UNMYNMBDTZGNDE-HOTGVXAUSA-N 0 1 396.329 3.129 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C(F)F)nc1 ZINC000657856453 567100547 /nfs/dbraw/zinc/10/05/47/567100547.db2.gz TWRPBAAWUYBXHC-NSHDSACASA-N 0 1 389.855 3.302 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)CSC)n2)cc1Br ZINC000473770011 567100940 /nfs/dbraw/zinc/10/09/40/567100940.db2.gz QGLPBORKZBJCEO-VIFPVBQESA-N 0 1 390.328 3.059 20 0 GGADMN C[C@@H]1CN(C(C)(C)CNc2ncnc3ccc(Br)cc32)C[C@@H](C)O1 ZINC000614300167 567102159 /nfs/dbraw/zinc/10/21/59/567102159.db2.gz XPCKZWQNLCHBLJ-CHWSQXEVSA-N 0 1 393.329 3.114 20 0 GGADMN CC(C)(C)n1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cn1 ZINC000522152888 567102141 /nfs/dbraw/zinc/10/21/41/567102141.db2.gz ZZJLPKZZNOKRPF-UHFFFAOYSA-N 0 1 389.253 3.494 20 0 GGADMN CC(C)[C@@](C)(O)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000473792612 567102895 /nfs/dbraw/zinc/10/28/95/567102895.db2.gz 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CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000473951730 567119733 /nfs/dbraw/zinc/11/97/33/567119733.db2.gz OZODPMWGPYYNRI-AWEZNQCLSA-N 0 1 391.313 3.007 20 0 GGADMN CCc1[n-][nH]c(=NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000473951730 567119740 /nfs/dbraw/zinc/11/97/40/567119740.db2.gz OZODPMWGPYYNRI-AWEZNQCLSA-N 0 1 391.313 3.007 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000473950877 567119898 /nfs/dbraw/zinc/11/98/98/567119898.db2.gz IXECNOZYBVEOFI-SSDOTTSWSA-N 0 1 381.260 3.414 20 0 GGADMN O=C(NCc1nc2cc(Br)ccc2o1)[C@@H]1CCN1C1CCCC1 ZINC000635932018 567119825 /nfs/dbraw/zinc/11/98/25/567119825.db2.gz DDBCRQQNIWRQMJ-AWEZNQCLSA-N 0 1 378.270 3.223 20 0 GGADMN COC(=O)CC1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000497730453 567120087 /nfs/dbraw/zinc/12/00/87/567120087.db2.gz QULCPYHKLWATNU-GFCCVEGCSA-N 0 1 387.307 3.446 20 0 GGADMN CCOCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1 ZINC000522596395 567120801 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COc1ccc(Br)c2[nH]c(C(=O)N(C)Cc3cn[nH]c3C)cc21 ZINC000636065233 567123397 /nfs/dbraw/zinc/12/33/97/567123397.db2.gz PEZUWJKRKJCAQU-UHFFFAOYSA-N 0 1 377.242 3.243 20 0 GGADMN NC1(c2noc(CCCOc3ccc(I)cc3)n2)CCC1 ZINC000566068229 567124800 /nfs/dbraw/zinc/12/48/00/567124800.db2.gz YUSXWGDQHBILAL-UHFFFAOYSA-N 0 1 399.232 3.024 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@@H]1C ZINC000614606024 567125014 /nfs/dbraw/zinc/12/50/14/567125014.db2.gz DHIVYQAQGWMQGD-NWDGAFQWSA-N 0 1 393.322 3.129 20 0 GGADMN O=S(=O)(CCc1cccs1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000683465842 567126161 /nfs/dbraw/zinc/12/61/61/567126161.db2.gz ZBPPCBAADZDMDA-IBGZPJMESA-N 0 1 378.563 3.437 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@H]1C ZINC000614606026 567126218 /nfs/dbraw/zinc/12/62/18/567126218.db2.gz DHIVYQAQGWMQGD-VXGBXAGGSA-N 0 1 393.322 3.129 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CNCc2c(Cl)cccc2Cl)cc1 ZINC000566106461 567126426 /nfs/dbraw/zinc/12/64/26/567126426.db2.gz QFNWCUARTRYULE-AWEZNQCLSA-N 0 1 383.275 3.481 20 0 GGADMN O=S(=O)(NCCc1ccc(Br)cc1)c1c(F)cccc1F ZINC000522717094 567126465 /nfs/dbraw/zinc/12/64/65/567126465.db2.gz ILJHEIQVEYPAOI-UHFFFAOYSA-N 0 1 376.222 3.248 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(C)cc(I)c2)C[C@H]1C ZINC000588329145 567127024 /nfs/dbraw/zinc/12/70/24/567127024.db2.gz WHTBEEUECQTGBH-GFCCVEGCSA-N 0 1 387.265 3.158 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(C)cc(I)c2)C[C@@H]1C ZINC000588329146 567127268 /nfs/dbraw/zinc/12/72/68/567127268.db2.gz WHTBEEUECQTGBH-LBPRGKRZSA-N 0 1 387.265 3.158 20 0 GGADMN C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(Br)cn1 ZINC000658200416 567128244 /nfs/dbraw/zinc/12/82/44/567128244.db2.gz PFJNSQUAKKQSAV-GFCCVEGCSA-N 0 1 375.332 3.242 20 0 GGADMN CC(C)(C)OC(=O)C1(NS(=O)(=O)c2c(F)cc(F)cc2F)CCCC1 ZINC000522754104 567128587 /nfs/dbraw/zinc/12/85/87/567128587.db2.gz OGYZKNBHLLREIZ-UHFFFAOYSA-N 0 1 379.400 3.037 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000566119829 567128641 /nfs/dbraw/zinc/12/86/41/567128641.db2.gz 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ZINC000658360121 567135213 /nfs/dbraw/zinc/13/52/13/567135213.db2.gz IFFONSXLVGXNHY-CYBMUJFWSA-N 0 1 383.945 3.332 20 0 GGADMN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000546536695 567135255 /nfs/dbraw/zinc/13/52/55/567135255.db2.gz RMLJITDNPILQJE-XMMPIXPASA-N 0 1 376.459 3.021 20 0 GGADMN NC(=O)COc1cccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432181669 567136125 /nfs/dbraw/zinc/13/61/25/567136125.db2.gz DSYQTZVVQUEEJF-UHFFFAOYSA-N 0 1 396.877 3.220 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C)[C@H]1CCN(C)C1 ZINC000658356382 567136381 /nfs/dbraw/zinc/13/63/81/567136381.db2.gz KPFIKIRHYVXXEJ-AWEZNQCLSA-N 0 1 383.945 3.332 20 0 GGADMN C[C@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ncc(Br)cc1F ZINC000658316627 567136522 /nfs/dbraw/zinc/13/65/22/567136522.db2.gz UMBJFXBHELUGHZ-MEDUHNTESA-N 0 1 375.282 3.202 20 0 GGADMN NC(=O)COc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000432205613 567137106 /nfs/dbraw/zinc/13/71/06/567137106.db2.gz ZVBBIPJUCGIGDH-UHFFFAOYSA-N 0 1 396.877 3.220 20 0 GGADMN Cc1cnc([C@@H](C)CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)s1 ZINC000566197941 567137221 /nfs/dbraw/zinc/13/72/21/567137221.db2.gz VFGQRLMSWUMXEY-QFYYESIMSA-N 0 1 382.327 3.308 20 0 GGADMN O=C(CO)Nc1cccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432183684 567137296 /nfs/dbraw/zinc/13/72/96/567137296.db2.gz AYDGWYZYUNQRJH-UHFFFAOYSA-N 0 1 396.877 3.286 20 0 GGADMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658383229 567137802 /nfs/dbraw/zinc/13/78/02/567137802.db2.gz CRLZPXHCZZWSFM-RQJHMYQMSA-N 0 1 390.130 3.160 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C)c1cccs1 ZINC000474128401 567138940 /nfs/dbraw/zinc/13/89/40/567138940.db2.gz YVBBPYWULUUERB-ZDUSSCGKSA-N 0 1 393.408 3.268 20 0 GGADMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000497978844 567138971 /nfs/dbraw/zinc/13/89/71/567138971.db2.gz OYQPWBDXFJOKND-SCZZXKLOSA-N 0 1 399.740 3.339 20 0 GGADMN CC(C)CN(CC(N)=O)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474148862 567140445 /nfs/dbraw/zinc/14/04/45/567140445.db2.gz XZXFJDORWQDXMS-UHFFFAOYSA-N 0 1 383.208 3.291 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2nccc3sccc32)cc1C ZINC000546599567 567141609 /nfs/dbraw/zinc/14/16/09/567141609.db2.gz RVIRHCAXOXIKOQ-UHFFFAOYSA-N 0 1 378.475 3.431 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2OC)ccc1NC(C)=O ZINC000614821959 567141997 /nfs/dbraw/zinc/14/19/97/567141997.db2.gz PWGPZTUMAROIDG-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000614809349 567142008 /nfs/dbraw/zinc/14/20/08/567142008.db2.gz WZXLMWWBFAQGAD-UHFFFAOYSA-N 0 1 380.319 3.068 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000614840585 567142878 /nfs/dbraw/zinc/14/28/78/567142878.db2.gz PMJDWNNBFYAJOI-UHFFFAOYSA-N 0 1 377.853 3.394 20 0 GGADMN NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000614837937 567143330 /nfs/dbraw/zinc/14/33/30/567143330.db2.gz YFBOXQUKGVRFOE-UHFFFAOYSA-N 0 1 389.260 3.048 20 0 GGADMN CN(CC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000498018075 567143703 /nfs/dbraw/zinc/14/37/03/567143703.db2.gz MURFEUUDXDCMPJ-RDJZCZTQSA-N 0 1 397.382 3.277 20 0 GGADMN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1ccc(F)c(Br)c1 ZINC000498021119 567144290 /nfs/dbraw/zinc/14/42/90/567144290.db2.gz AYGVFAVZTWVHAC-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN COC1(CO)CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000683677526 567144456 /nfs/dbraw/zinc/14/44/56/567144456.db2.gz VYPCEAPERYKWRJ-CHWSQXEVSA-N 0 1 389.323 3.032 20 0 GGADMN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1 ZINC000614868682 567144494 /nfs/dbraw/zinc/14/44/94/567144494.db2.gz DSUCJXLMYREJOP-UHFFFAOYSA-N 0 1 382.869 3.289 20 0 GGADMN CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CCN(CC2CC2)CC1 ZINC000614871352 567144562 /nfs/dbraw/zinc/14/45/62/567144562.db2.gz IKIMHLZCGYVHKY-SFHVURJKSA-N 0 1 395.341 3.407 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000523136866 567144988 /nfs/dbraw/zinc/14/49/88/567144988.db2.gz QHCCFYWVBBZATH-GASCZTMLSA-N 0 1 398.345 3.090 20 0 GGADMN Cc1c(Cl)cc(S(=O)(=O)NCCCN2CCCO[C@@H](C)C2)cc1Cl ZINC000432292279 567145373 /nfs/dbraw/zinc/14/53/73/567145373.db2.gz SQPSKMJDRVUHHD-LBPRGKRZSA-N 0 1 395.352 3.081 20 0 GGADMN Cc1nnc(SCC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)[nH]1 ZINC000498040988 567145653 /nfs/dbraw/zinc/14/56/53/567145653.db2.gz MDGKXEHYHWLYRX-CYBMUJFWSA-N 0 1 395.326 3.059 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)n1 ZINC000498040988 567145656 /nfs/dbraw/zinc/14/56/56/567145656.db2.gz MDGKXEHYHWLYRX-CYBMUJFWSA-N 0 1 395.326 3.059 20 0 GGADMN C[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(C)CC1 ZINC000588935102 567146321 /nfs/dbraw/zinc/14/63/21/567146321.db2.gz KEQBHZVHXSCMCI-CQSZACIVSA-N 0 1 377.941 3.434 20 0 GGADMN C[C@@H](NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000683723494 567148827 /nfs/dbraw/zinc/14/88/27/567148827.db2.gz GKLXCGNBZRJJJF-JLZZUVOBSA-N 0 1 386.323 3.295 20 0 GGADMN C[C@@H](NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000683723495 567148981 /nfs/dbraw/zinc/14/89/81/567148981.db2.gz GKLXCGNBZRJJJF-OAUYIBNBSA-N 0 1 386.323 3.295 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000474228005 567149466 /nfs/dbraw/zinc/14/94/66/567149466.db2.gz DUVZCPQKLAWMIB-UHFFFAOYSA-N 0 1 378.270 3.380 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000474219813 567149631 /nfs/dbraw/zinc/14/96/31/567149631.db2.gz MHQKLJRMJVRSOK-STQMWFEESA-N 0 1 389.323 3.064 20 0 GGADMN COc1ccccc1CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000432331915 567150191 /nfs/dbraw/zinc/15/01/91/567150191.db2.gz RSMORUQQDGVXKZ-MRXNPFEDSA-N 0 1 375.266 3.353 20 0 GGADMN Cc1cc(I)ccc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000454157617 567150188 /nfs/dbraw/zinc/15/01/88/567150188.db2.gz LZPOZJCKIKSRAV-UHFFFAOYSA-N 0 1 399.236 3.163 20 0 GGADMN Cc1oc(C[N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000566363147 567151576 /nfs/dbraw/zinc/15/15/76/567151576.db2.gz ZPGTYSQDUDOBAZ-GFCCVEGCSA-N 0 1 388.247 3.465 20 0 GGADMN C[C@H](NC(=O)CN1CCC(C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000474254956 567152726 /nfs/dbraw/zinc/15/27/26/567152726.db2.gz QDDFPZNEOKBZFD-ZDUSSCGKSA-N 0 1 397.313 3.129 20 0 GGADMN O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cncc(F)c1 ZINC000523337504 567152784 /nfs/dbraw/zinc/15/27/84/567152784.db2.gz SZRBKOISVWSFII-UHFFFAOYSA-N 0 1 378.454 3.231 20 0 GGADMN CCc1nc(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000454217435 567154895 /nfs/dbraw/zinc/15/48/95/567154895.db2.gz AMSLKZWSXIFPJP-UHFFFAOYSA-N 0 1 392.179 3.470 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000589093100 567155599 /nfs/dbraw/zinc/15/55/99/567155599.db2.gz QXUHKMVBPWQSBQ-GUYCJALGSA-N 0 1 389.323 3.234 20 0 GGADMN Ic1cccc(-c2noc(CCCCc3cn[nH]n3)n2)c1 ZINC000589086787 567155756 /nfs/dbraw/zinc/15/57/56/567155756.db2.gz MMLSILCAABWUMG-UHFFFAOYSA-N 0 1 395.204 3.025 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000589093101 567155949 /nfs/dbraw/zinc/15/59/49/567155949.db2.gz QXUHKMVBPWQSBQ-SUMWQHHRSA-N 0 1 389.323 3.234 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000589095242 567156286 /nfs/dbraw/zinc/15/62/86/567156286.db2.gz STUQMXWWBJLESQ-MGPQQGTHSA-N 0 1 389.323 3.376 20 0 GGADMN Cc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)c(=O)n1C ZINC000683820557 567156471 /nfs/dbraw/zinc/15/64/71/567156471.db2.gz LSQDNSMOAHDAOA-ROUUACIJSA-N 0 1 391.309 3.466 20 0 GGADMN O[C@H](COCc1ccccc1Cl)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523443716 567156845 /nfs/dbraw/zinc/15/68/45/567156845.db2.gz AFTSRCBZBMCEOF-LSDHHAIUSA-N 0 1 381.822 3.261 20 0 GGADMN Cc1ccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c(Br)c1 ZINC000615089034 567156975 /nfs/dbraw/zinc/15/69/75/567156975.db2.gz HDDGMWUNKSDPTO-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000498207066 567157284 /nfs/dbraw/zinc/15/72/84/567157284.db2.gz UFXOJKFTISFJCV-YPMHNXCESA-N 0 1 394.249 3.296 20 0 GGADMN Cc1ccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)cc1Br ZINC000615091386 567157429 /nfs/dbraw/zinc/15/74/29/567157429.db2.gz ZCWHZUALLGUKIC-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1 ZINC000615088206 567157466 /nfs/dbraw/zinc/15/74/66/567157466.db2.gz ZXBSUMKMZXWIOB-OAHLLOKOSA-N 0 1 395.341 3.391 20 0 GGADMN CCc1nc(CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n[nH]1 ZINC000454262857 567157564 /nfs/dbraw/zinc/15/75/64/567157564.db2.gz DUDJYTBEZCLUGC-UHFFFAOYSA-N 0 1 376.873 3.390 20 0 GGADMN O=C1[C@@H]([N@H+]2CC[C@H](c3ccncc3)C2)CCN1c1cccc(Br)c1 ZINC000566426212 567157480 /nfs/dbraw/zinc/15/74/80/567157480.db2.gz PXIUWMWBKYGHKX-YJBOKZPZSA-N 0 1 386.293 3.439 20 0 GGADMN O=C1[C@@H](N2CC[C@H](c3ccncc3)C2)CCN1c1cccc(Br)c1 ZINC000566426212 567157487 /nfs/dbraw/zinc/15/74/87/567157487.db2.gz PXIUWMWBKYGHKX-YJBOKZPZSA-N 0 1 386.293 3.439 20 0 GGADMN C[C@H](C(=O)N1CCC(N2CCOC[C@H]2C)CC1)c1ccc(Br)cc1 ZINC000615090109 567157795 /nfs/dbraw/zinc/15/77/95/567157795.db2.gz PSAIAUXYEASPJF-CABCVRRESA-N 0 1 395.341 3.264 20 0 GGADMN Cc1ccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c(Br)c1 ZINC000615089031 567158435 /nfs/dbraw/zinc/15/84/35/567158435.db2.gz HDDGMWUNKSDPTO-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1c(Br)scc1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615086961 567158449 /nfs/dbraw/zinc/15/84/49/567158449.db2.gz PRSRDPIIGIPPSZ-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN C[C@H](C(=O)N1CCC(N2CCOC[C@H]2C)CC1)c1cccc(Br)c1 ZINC000615086156 567158501 /nfs/dbraw/zinc/15/85/01/567158501.db2.gz BVCNNSXGEWDHRP-CABCVRRESA-N 0 1 395.341 3.264 20 0 GGADMN Cc1ccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)cc1Br ZINC000615091385 567158517 /nfs/dbraw/zinc/15/85/17/567158517.db2.gz ZCWHZUALLGUKIC-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615088227 567158570 /nfs/dbraw/zinc/15/85/70/567158570.db2.gz QMDMDQIAJBGPCM-AWEZNQCLSA-N 0 1 395.341 3.391 20 0 GGADMN N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000498212003 567159206 /nfs/dbraw/zinc/15/92/06/567159206.db2.gz LWRVIJHINZNLME-DGCLKSJQSA-N 0 1 394.249 3.296 20 0 GGADMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000546797959 567159374 /nfs/dbraw/zinc/15/93/74/567159374.db2.gz PYFYXGGNLJPJQH-IJEWVQPXSA-N 0 1 378.460 3.424 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000566449657 567159355 /nfs/dbraw/zinc/15/93/55/567159355.db2.gz ZDSFTGJOJQRTOA-ABAIWWIYSA-N 0 1 378.270 3.333 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(Br)cc(OC(C)C)c2)n[nH]1 ZINC000454278432 567159635 /nfs/dbraw/zinc/15/96/35/567159635.db2.gz VXFMYGPFIRMUMA-UHFFFAOYSA-N 0 1 382.262 3.239 20 0 GGADMN CCOC(=O)[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(Br)o1 ZINC000546781583 567159598 /nfs/dbraw/zinc/15/95/98/567159598.db2.gz PNNFGGXBNNGYGL-JTQLQIEISA-N 0 1 396.303 3.078 20 0 GGADMN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@@H]1CCCc2n[nH]nc21 ZINC000615103474 567159664 /nfs/dbraw/zinc/15/96/64/567159664.db2.gz RFVLFSHRFPTWPQ-MRVWCRGKSA-N 0 1 375.270 3.050 20 0 GGADMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)[C@H](C)C(F)(F)F ZINC000546797961 567159762 /nfs/dbraw/zinc/15/97/62/567159762.db2.gz PYFYXGGNLJPJQH-SQWLQELKSA-N 0 1 378.460 3.424 20 0 GGADMN N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000498212004 567159982 /nfs/dbraw/zinc/15/99/82/567159982.db2.gz LWRVIJHINZNLME-WCQYABFASA-N 0 1 394.249 3.296 20 0 GGADMN COc1ccc2nc(CNCCNC(=O)c3ccccc3Cl)sc2c1 ZINC000474344848 567160420 /nfs/dbraw/zinc/16/04/20/567160420.db2.gz MCNSXVZJRKGTHB-UHFFFAOYSA-N 0 1 375.881 3.478 20 0 GGADMN Cc1cc(SCC(=O)N2CCC3(CN(C)C3)C2)c(C)cc1Br ZINC000683906773 567160515 /nfs/dbraw/zinc/16/05/15/567160515.db2.gz YOQGTCUHZOXTFB-UHFFFAOYSA-N 0 1 383.355 3.322 20 0 GGADMN CC[C@H](C[C@@H](C)CO)NCc1ncc(Br)cc1Br ZINC000474346662 567160761 /nfs/dbraw/zinc/16/07/61/567160761.db2.gz CNMOVXOBKQGJHC-MWLCHTKSSA-N 0 1 380.124 3.493 20 0 GGADMN Cc1nc(C)c(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)o1 ZINC000683897968 567161249 /nfs/dbraw/zinc/16/12/49/567161249.db2.gz 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/nfs/dbraw/zinc/20/10/85/567201085.db2.gz DZUUJHJCOULXOL-UHFFFAOYSA-N 0 1 383.401 3.198 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N2CCNC[C@H]2CCC)cc1OC ZINC000566913872 567201584 /nfs/dbraw/zinc/20/15/84/567201584.db2.gz OHKQHBNLFICDRD-CQSZACIVSA-N 0 1 399.329 3.461 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N2CCNC[C@@H]2CCC)cc1OC ZINC000566913871 567201748 /nfs/dbraw/zinc/20/17/48/567201748.db2.gz OHKQHBNLFICDRD-AWEZNQCLSA-N 0 1 399.329 3.461 20 0 GGADMN O=C(c1nc2cc(Cl)ccc2s1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000566927285 567202833 /nfs/dbraw/zinc/20/28/33/567202833.db2.gz WMTBMMHUNJLNNV-AWEZNQCLSA-N 0 1 379.913 3.277 20 0 GGADMN O=C(CNCc1ccc(OC(F)(F)F)c(Br)c1)NC1CCCC1 ZINC000684378102 567203636 /nfs/dbraw/zinc/20/36/36/567203636.db2.gz XVABGJPEWXRJAA-UHFFFAOYSA-N 0 1 395.219 3.496 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccccc2Br)c1 ZINC000524590802 567204977 /nfs/dbraw/zinc/20/49/77/567204977.db2.gz PAEDKYMSWSHJAJ-UHFFFAOYSA-N 0 1 398.278 3.130 20 0 GGADMN CC(C)(C)c1nc(C[S@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)n[nH]1 ZINC000590054454 567205374 /nfs/dbraw/zinc/20/53/74/567205374.db2.gz BIOIGDRMRMVCQT-RUZDIDTESA-N 0 1 383.901 3.366 20 0 GGADMN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cc(-c2ccco2)n[nH]1 ZINC000498855852 567205805 /nfs/dbraw/zinc/20/58/05/567205805.db2.gz NKNPYJBTDZTPAS-UHFFFAOYSA-N 0 1 398.220 3.292 20 0 GGADMN COC[C@H](N=c1[nH]n2cc(-c3ccc(Cl)cc3)nc2s1)[C@@H]1CCCO1 ZINC000432943895 567206289 /nfs/dbraw/zinc/20/62/89/567206289.db2.gz KAHFGAQXXDDWNX-GJZGRUSLSA-N 0 1 378.885 3.139 20 0 GGADMN COC[C@H](N=c1[nH]n2cc(-c3ccc(Cl)cc3)nc2s1)[C@H]1CCCO1 ZINC000432943897 567206552 /nfs/dbraw/zinc/20/65/52/567206552.db2.gz KAHFGAQXXDDWNX-LSDHHAIUSA-N 0 1 378.885 3.139 20 0 GGADMN CC(=O)N1CCc2c1cccc2NC(=O)c1ccc(Br)c(O)c1 ZINC000547428400 567207315 /nfs/dbraw/zinc/20/73/15/567207315.db2.gz JPOKGPBCJASODY-UHFFFAOYSA-N 0 1 375.222 3.316 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000524656058 567207677 /nfs/dbraw/zinc/20/76/77/567207677.db2.gz SEFAADLSNFIXQY-WFASDCNBSA-N 0 1 397.313 3.272 20 0 GGADMN Cc1csc(=O)n1CCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615814481 567207903 /nfs/dbraw/zinc/20/79/03/567207903.db2.gz UYQMESRMAJACDN-NSHDSACASA-N 0 1 378.885 3.358 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cnccc2-n2cccn2)cc1Cl ZINC000432949583 567207879 /nfs/dbraw/zinc/20/78/79/567207879.db2.gz MHSXKNHXNGRYHR-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2sc(N3CCCC3)nc2s1 ZINC000684437421 567208003 /nfs/dbraw/zinc/20/80/03/567208003.db2.gz UJIKEMUERXELIL-ZDUSSCGKSA-N 0 1 376.551 3.172 20 0 GGADMN Cc1sc(=O)n(CC(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C ZINC000615819270 567207993 /nfs/dbraw/zinc/20/79/93/567207993.db2.gz ZRAIIYSBEBKSOU-SNVBAGLBSA-N 0 1 378.885 3.276 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)Cn1cc(Br)cn1 ZINC000615815140 567208148 /nfs/dbraw/zinc/20/81/48/567208148.db2.gz DAQGSHOEFMPGRW-SECBINFHSA-N 0 1 396.676 3.395 20 0 GGADMN Cc1nc(S(=O)(=O)NCCC2C[C@H](C)O[C@@H](C)C2)sc1Br ZINC000566986260 567208288 /nfs/dbraw/zinc/20/82/88/567208288.db2.gz VHZSJWYUUSHGSV-IUCAKERBSA-N 0 1 397.360 3.086 20 0 GGADMN O=C(C[C@@H]1COCCN1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659370785 567209238 /nfs/dbraw/zinc/20/92/38/567209238.db2.gz AWIDLTSISHABSF-BEFAXECRSA-N 0 1 376.909 3.254 20 0 GGADMN O=C(C[C@H]1COCCN1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659370787 567209483 /nfs/dbraw/zinc/20/94/83/567209483.db2.gz AWIDLTSISHABSF-HNAYVOBHSA-N 0 1 376.909 3.254 20 0 GGADMN CCCc1nc(=NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s[n-]1 ZINC000567002071 567209651 /nfs/dbraw/zinc/20/96/51/567209651.db2.gz WZTNDLRBXRSFQJ-IUODEOHRSA-N 0 1 379.555 3.179 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)cc1Cl ZINC000432960123 567209863 /nfs/dbraw/zinc/20/98/63/567209863.db2.gz MEOXQTNZCYEAFI-UHFFFAOYSA-N 0 1 381.885 3.435 20 0 GGADMN C[C@@H]1CCCN(CCNC(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC000474911203 567210034 /nfs/dbraw/zinc/21/00/34/567210034.db2.gz UKJHZJBBIBKFIA-CYBMUJFWSA-N 0 1 378.567 3.420 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cccc(OCC(F)F)n2)cc1Cl ZINC000432955161 567210113 /nfs/dbraw/zinc/21/01/13/567210113.db2.gz RIMPWOXHUMCENW-UHFFFAOYSA-N 0 1 392.811 3.497 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C ZINC000498911669 567210938 /nfs/dbraw/zinc/21/09/38/567210938.db2.gz JLZDCTYPPMYZNN-MNOVXSKESA-N 0 1 385.331 3.475 20 0 GGADMN O=C(N[C@@H]1CCc2c1cccc2Br)N1CCN(CC2CC2)CC1 ZINC000590171088 567212326 /nfs/dbraw/zinc/21/23/26/567212326.db2.gz ZOAFRFHFFHHTKT-QGZVFWFLSA-N 0 1 378.314 3.174 20 0 GGADMN COc1ccc(O[C@H](C)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000567034317 567212518 /nfs/dbraw/zinc/21/25/18/567212518.db2.gz AINLJAFHEAKBSV-SNVBAGLBSA-N 0 1 391.823 3.373 20 0 GGADMN COCCN1CC[C@H](N[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000498922111 567213218 /nfs/dbraw/zinc/21/32/18/567213218.db2.gz BZPQRKZERIZQRT-FUHWJXTLSA-N 0 1 379.298 3.442 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(F)c(Br)c1)C(=O)NC(=O)NC(C)(C)C ZINC000590193760 567213589 /nfs/dbraw/zinc/21/35/89/567213589.db2.gz RIRDYDAFCCRSPP-UWVGGRQHSA-N 0 1 388.281 3.252 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000567052811 567213788 /nfs/dbraw/zinc/21/37/88/567213788.db2.gz DVQJPQNIKFIXGK-LBPRGKRZSA-N 0 1 381.885 3.202 20 0 GGADMN C[C@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000547514511 567214879 /nfs/dbraw/zinc/21/48/79/567214879.db2.gz XBPWPJHBMBRXEA-BONVTDFDSA-N 0 1 393.260 3.446 20 0 GGADMN C[C@@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000547514512 567215625 /nfs/dbraw/zinc/21/56/25/567215625.db2.gz XBPWPJHBMBRXEA-MEBBXXQBSA-N 0 1 393.260 3.446 20 0 GGADMN C[C@@H](NCC1(CO)CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554420 567215855 /nfs/dbraw/zinc/21/58/55/567215855.db2.gz AVLJIFNKWFELDT-LLVKDONJSA-N 0 1 395.352 3.234 20 0 GGADMN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(Br)cn1 ZINC000684551030 567215927 /nfs/dbraw/zinc/21/59/27/567215927.db2.gz PQUCEECLSAHPFL-CYBMUJFWSA-N 0 1 392.297 3.162 20 0 GGADMN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(Br)cn1 ZINC000684551031 567216047 /nfs/dbraw/zinc/21/60/47/567216047.db2.gz PQUCEECLSAHPFL-ZDUSSCGKSA-N 0 1 392.297 3.162 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(=O)N2CCCSc3cc(Cl)ccc32)cn1 ZINC000637738307 567216354 /nfs/dbraw/zinc/21/63/54/567216354.db2.gz YNIFCQHGCXJRTO-UHFFFAOYSA-N 0 1 397.909 3.249 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100657 567218233 /nfs/dbraw/zinc/21/82/33/567218233.db2.gz VVYBEXMTGOFRFP-CHWSQXEVSA-N 0 1 382.835 3.264 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+]2CCCC[C@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100657 567218240 /nfs/dbraw/zinc/21/82/40/567218240.db2.gz VVYBEXMTGOFRFP-CHWSQXEVSA-N 0 1 382.835 3.264 20 0 GGADMN COCc1ccccc1CNCCS(=O)(=O)c1cccc(Br)c1 ZINC000567103697 567218322 /nfs/dbraw/zinc/21/83/22/567218322.db2.gz STMMZYAEFNWVKS-UHFFFAOYSA-N 0 1 398.322 3.159 20 0 GGADMN Cc1nnsc1CNC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000567100334 567218886 /nfs/dbraw/zinc/21/88/86/567218886.db2.gz SAJHGNFWYRONGL-HNNXBMFYSA-N 0 1 379.917 3.136 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100658 567219258 /nfs/dbraw/zinc/21/92/58/567219258.db2.gz VVYBEXMTGOFRFP-OLZOCXBDSA-N 0 1 382.835 3.264 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100658 567219263 /nfs/dbraw/zinc/21/92/63/567219263.db2.gz VVYBEXMTGOFRFP-OLZOCXBDSA-N 0 1 382.835 3.264 20 0 GGADMN CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000433083251 567220018 /nfs/dbraw/zinc/22/00/18/567220018.db2.gz OIHILSVMVCVYBM-YPMHNXCESA-N 0 1 379.258 3.378 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc2cc(Br)ccc2[nH]1 ZINC000433087509 567220769 /nfs/dbraw/zinc/22/07/69/567220769.db2.gz JAQRSMKVJOJMSH-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN O=C(CSCc1cccc(Cl)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000590352320 567220981 /nfs/dbraw/zinc/22/09/81/567220981.db2.gz DGOYIWKKRQCKMT-GOSISDBHSA-N 0 1 382.957 3.287 20 0 GGADMN CO[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000433083248 567221018 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NMEZYPJCINQVKV-ZANVPECISA-N 0 1 381.217 3.319 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1Br)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804702 567225862 /nfs/dbraw/zinc/22/58/62/567225862.db2.gz DKFIFSDFVUCYDF-NXHRZFHOSA-N 0 1 380.282 3.467 20 0 GGADMN CCc1c(NC(=O)CCn2cc(Br)cn2)[nH]nc1-c1ccncc1 ZINC000590475532 567226863 /nfs/dbraw/zinc/22/68/63/567226863.db2.gz GSWYELLAWOMMHP-UHFFFAOYSA-N 0 1 389.257 3.022 20 0 GGADMN CC(C)OC[C@H](CO)N(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000433167832 567227237 /nfs/dbraw/zinc/22/72/37/567227237.db2.gz OSAXNFDVIHMKEH-KRWDZBQOSA-N 0 1 394.313 3.124 20 0 GGADMN CC(C)(CNC(=O)N1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000616104544 567228233 /nfs/dbraw/zinc/22/82/33/567228233.db2.gz UHTAVJARPCWLJH-UHFFFAOYSA-N 0 1 394.357 3.464 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2c[nH]c3ccc(Br)cc23)C[C@@H](C)O1 ZINC000590498089 567228376 /nfs/dbraw/zinc/22/83/76/567228376.db2.gz BPEABNUICRAZEA-CHWSQXEVSA-N 0 1 394.313 3.160 20 0 GGADMN O=C(CN1CCN(C2CCCC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000659835698 567229981 /nfs/dbraw/zinc/22/99/81/567229981.db2.gz GNXGFYRHBVAQFV-UHFFFAOYSA-N 0 1 391.313 3.068 20 0 GGADMN CCN(CC)C(=O)CN1CCCN(CCSc2cccc(Cl)c2)CC1 ZINC000659839712 567230326 /nfs/dbraw/zinc/23/03/26/567230326.db2.gz XHEXOXUSOHRKMJ-UHFFFAOYSA-N 0 1 383.989 3.308 20 0 GGADMN O=[S@](CCN(CCO)[C@H]1CCCSC1)c1cc(Cl)ccc1Cl ZINC000433198604 567231297 /nfs/dbraw/zinc/23/12/97/567231297.db2.gz ZBJPJJLFOOWVCR-WHEQGISXSA-N 0 1 382.378 3.291 20 0 GGADMN C[C@@H](NC(=O)CN(CCO)[C@H]1CCCSC1)c1ccc(Cl)c(Cl)c1 ZINC000433199957 567231452 /nfs/dbraw/zinc/23/14/52/567231452.db2.gz FWXVMKRJVISAQO-OCCSQVGLSA-N 0 1 391.364 3.361 20 0 GGADMN COCCN(CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCCSC1 ZINC000433198624 567231773 /nfs/dbraw/zinc/23/17/73/567231773.db2.gz ZGUDVFOXNAUMRG-CYBMUJFWSA-N 0 1 376.975 3.204 20 0 GGADMN CC(=O)NCCN(CCC1CCOCC1)Cc1ccc(Br)s1 ZINC000433199998 567231912 /nfs/dbraw/zinc/23/19/12/567231912.db2.gz GADHWHAUQXRABN-UHFFFAOYSA-N 0 1 389.359 3.265 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN(CCO)[C@@H]1CCCSC1 ZINC000433201677 567231999 /nfs/dbraw/zinc/23/19/99/567231999.db2.gz NFXJBISLCADCDW-MRXNPFEDSA-N 0 1 391.364 3.142 20 0 GGADMN OCC1(NCc2cccc(OCC(F)(F)F)c2Br)CCOCC1 ZINC000659875962 567232474 /nfs/dbraw/zinc/23/24/74/567232474.db2.gz TXIDGHJHRYTVEN-UHFFFAOYSA-N 0 1 398.219 3.021 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638108209 567232881 /nfs/dbraw/zinc/23/28/81/567232881.db2.gz KHFLBAKSFXMXLN-CYBMUJFWSA-N 0 1 387.281 3.490 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)c2cc3cc(Br)sc3[nH]2)n[nH]1 ZINC000616222350 567233175 /nfs/dbraw/zinc/23/31/75/567233175.db2.gz QIUSQRUCUPERPP-UHFFFAOYSA-N 0 1 382.287 3.338 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2cccc(I)c2)C[C@@H]1C ZINC000499247783 567234291 /nfs/dbraw/zinc/23/42/91/567234291.db2.gz PWZXCHWADZCXQC-RYUDHWBXSA-N 0 1 387.265 3.238 20 0 GGADMN CC(C)C1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000525189401 567234308 /nfs/dbraw/zinc/23/43/08/567234308.db2.gz OHBYVALGLJNYSF-INIZCTEOSA-N 0 1 379.298 3.449 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)CCN1CCOC ZINC000499275807 567235308 /nfs/dbraw/zinc/23/53/08/567235308.db2.gz NFCSFLRSEJAPNB-MRXNPFEDSA-N 0 1 384.318 3.414 20 0 GGADMN CSc1ncc(Cl)c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)n1 ZINC000525209640 567235710 /nfs/dbraw/zinc/23/57/10/567235710.db2.gz JYFJHNLMOZNHLC-UHFFFAOYSA-N 0 1 377.857 3.024 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN1CCc2cc(Br)ccc2C1 ZINC000590605323 567235831 /nfs/dbraw/zinc/23/58/31/567235831.db2.gz IXNXOHAEWWTQEC-UHFFFAOYSA-N 0 1 378.270 3.216 20 0 GGADMN O=C1[C@H](N2CCC(CCCO)CC2)CCN1c1cccc(Br)c1 ZINC000433252702 567236220 /nfs/dbraw/zinc/23/62/20/567236220.db2.gz CBPDFYPDMDNSMI-QGZVFWFLSA-N 0 1 381.314 3.039 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000567312963 567236237 /nfs/dbraw/zinc/23/62/37/567236237.db2.gz IJRQNLQBXLSIOE-GFCCVEGCSA-N 0 1 395.750 3.207 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)cc1O ZINC000499303448 567236411 /nfs/dbraw/zinc/23/64/11/567236411.db2.gz WIUIMLSJODMXHP-UHFFFAOYSA-N 0 1 385.283 3.330 20 0 GGADMN C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cncc(F)c1 ZINC000433262420 567236520 /nfs/dbraw/zinc/23/65/20/567236520.db2.gz QKJOVPCHINLXNW-ZBEGNZNMSA-N 0 1 378.245 3.439 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000525240931 567236686 /nfs/dbraw/zinc/23/66/86/567236686.db2.gz YKBXSMWJJFYTMA-IUODEOHRSA-N 0 1 379.298 3.011 20 0 GGADMN O=C(NCCNc1cccc(Br)c1)c1cn[nH]c1-c1ccccn1 ZINC000567317948 567236915 /nfs/dbraw/zinc/23/69/15/567236915.db2.gz MSACBJLQSKBGHF-UHFFFAOYSA-N 0 1 386.253 3.076 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(Cc2cscn2)CC1 ZINC000547650781 567237055 /nfs/dbraw/zinc/23/70/55/567237055.db2.gz FQHNARZIHFFAJL-UHFFFAOYSA-N 0 1 393.925 3.206 20 0 GGADMN CC[C@H](Cc1cccs1)NCc1nn(C)cc1I ZINC000590661353 567237385 /nfs/dbraw/zinc/23/73/85/567237385.db2.gz NOSISKVVMGIQGH-SNVBAGLBSA-N 0 1 375.279 3.197 20 0 GGADMN COCC1(C)CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433259406 567237330 /nfs/dbraw/zinc/23/73/30/567237330.db2.gz WOHGWAXPMWPUEV-INIZCTEOSA-N 0 1 381.314 3.303 20 0 GGADMN Cc1ccc(CCC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000475278235 567237502 /nfs/dbraw/zinc/23/75/02/567237502.db2.gz HBDSPHOKZCNJSH-HOTGVXAUSA-N 0 1 397.357 3.306 20 0 GGADMN CC[C@]1(CO)CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000433256014 567237466 /nfs/dbraw/zinc/23/74/66/567237466.db2.gz JMSGQMJHDPKWRO-AEFFLSMTSA-N 0 1 381.314 3.039 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)c1cccc(Br)c1O ZINC000525261105 567237812 /nfs/dbraw/zinc/23/78/12/567237812.db2.gz IRJXSZMISPEMED-NSHDSACASA-N 0 1 380.238 3.361 20 0 GGADMN CCN1CCCC[C@H]1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000525255601 567237894 /nfs/dbraw/zinc/23/78/94/567237894.db2.gz KBLLKCIAHLUZEP-ZDUSSCGKSA-N 0 1 379.810 3.123 20 0 GGADMN CO[C@]1(C)CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000475293103 567238118 /nfs/dbraw/zinc/23/81/18/567238118.db2.gz WFRMCNBOYVKTHG-GOSISDBHSA-N 0 1 383.330 3.287 20 0 GGADMN COC(=O)C[C@@H](NC(=O)c1cccc(Br)c1O)C1CCCCC1 ZINC000525261985 567238253 /nfs/dbraw/zinc/23/82/53/567238253.db2.gz OUZJEJGYMDYVRW-CQSZACIVSA-N 0 1 384.270 3.397 20 0 GGADMN C[C@H]1C(=O)CC[C@H]1CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000475310766 567239225 /nfs/dbraw/zinc/23/92/25/567239225.db2.gz DZGMKKPOACFBPC-ZBFHGGJFSA-N 0 1 395.341 3.345 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1c[nH]nc1-c1cccnc1 ZINC000525263405 567240551 /nfs/dbraw/zinc/24/05/51/567240551.db2.gz RKCSKVMWBCJUCV-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659936713 567240723 /nfs/dbraw/zinc/24/07/23/567240723.db2.gz SFEUCNHXVZZUKU-JSGCOSHPSA-N 0 1 391.313 3.067 20 0 GGADMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCc1ccsc1Br ZINC000638282676 567240899 /nfs/dbraw/zinc/24/08/99/567240899.db2.gz UAKNPASWKHMALE-SMDDNHRTSA-N 0 1 383.311 3.059 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)c2cc(Br)ccc2OC(F)F)n[nH]1 ZINC000567390965 567241907 /nfs/dbraw/zinc/24/19/07/567241907.db2.gz MBJPOLYJFWLDRB-MRVPVSSYSA-N 0 1 388.212 3.443 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1[nH]nc2c1CCCC2 ZINC000590724970 567241983 /nfs/dbraw/zinc/24/19/83/567241983.db2.gz LBUXDDWUWCSJPH-ZDUSSCGKSA-N 0 1 389.297 3.060 20 0 GGADMN COC(=O)c1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[nH]1 ZINC000475370756 567243354 /nfs/dbraw/zinc/24/33/54/567243354.db2.gz TZKYVOQFOYDOPI-ZDUSSCGKSA-N 0 1 382.247 3.003 20 0 GGADMN O=C(NCCNc1ncc(Cl)cc1Cl)c1cn[nH]c1-c1ccccn1 ZINC000567402780 567243418 /nfs/dbraw/zinc/24/34/18/567243418.db2.gz VDDCRBAHPPTVDD-UHFFFAOYSA-N 0 1 377.235 3.015 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCSC2)cc1 ZINC000547738429 567243471 /nfs/dbraw/zinc/24/34/71/567243471.db2.gz QGXJCVMFYDIUPI-CYBMUJFWSA-N 0 1 396.559 3.340 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2C)n[nH]1 ZINC000433345354 567243946 /nfs/dbraw/zinc/24/39/46/567243946.db2.gz XMSJVXOGQAOKPP-ONGXEEELSA-N 0 1 386.905 3.328 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCN(CC2CC2)CC1 ZINC000475362899 567243838 /nfs/dbraw/zinc/24/38/38/567243838.db2.gz AARXHHLONSMYCT-CHWSQXEVSA-N 0 1 384.343 3.104 20 0 GGADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000684913188 567245229 /nfs/dbraw/zinc/24/52/29/567245229.db2.gz XLLQVPXSXFMENV-GFCCVEGCSA-N 0 1 395.750 3.255 20 0 GGADMN CN(CCC1CCOCC1)CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659999938 567245351 /nfs/dbraw/zinc/24/53/51/567245351.db2.gz JBJILMLYILFTQB-UHFFFAOYSA-N 0 1 380.286 3.257 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN(C)C)s2)cs1 ZINC000660008647 567245551 /nfs/dbraw/zinc/24/55/51/567245551.db2.gz FGGBQINRZVASCW-CYBMUJFWSA-N 0 1 385.580 3.285 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3CN(C)C)cc2)n1 ZINC000660007853 567246006 /nfs/dbraw/zinc/24/60/06/567246006.db2.gz OUYKWZNQSNSYDE-INIZCTEOSA-N 0 1 379.551 3.223 20 0 GGADMN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN(C)C)c(Cl)c1Cl ZINC000660009481 567246340 /nfs/dbraw/zinc/24/63/40/567246340.db2.gz UAJSXASJCVUHOA-LLVKDONJSA-N 0 1 381.325 3.107 20 0 GGADMN CN(C)C(=O)COc1cccc(CNCc2cc(Cl)cc(Cl)c2N)c1 ZINC000638381957 567246657 /nfs/dbraw/zinc/24/66/57/567246657.db2.gz RHQOUHSYHOKAQV-UHFFFAOYSA-N 0 1 382.291 3.332 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(OC)ccc2Br)CCN1CCOC ZINC000499422038 567246747 /nfs/dbraw/zinc/24/67/47/567246747.db2.gz LUUZOVUNRURXCO-CQSZACIVSA-N 0 1 399.329 3.031 20 0 GGADMN CS(=O)(=O)C1(CNCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475426831 567246834 /nfs/dbraw/zinc/24/68/34/567246834.db2.gz CUQDIJZNJIMGDL-UHFFFAOYSA-N 0 1 386.233 3.135 20 0 GGADMN COc1ccccc1C[C@@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475428569 567247356 /nfs/dbraw/zinc/24/73/56/567247356.db2.gz DWFKXAMVXCXLIC-SJKOYZFVSA-N 0 1 377.282 3.205 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCc2c(Br)ccc(F)c2C1 ZINC000433376304 567247788 /nfs/dbraw/zinc/24/77/88/567247788.db2.gz NATRIRAJNAGXDL-UHFFFAOYSA-N 0 1 393.191 3.197 20 0 GGADMN O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)[C@H]1CCc2[nH]nnc2C1 ZINC000499426089 567247757 /nfs/dbraw/zinc/24/77/57/567247757.db2.gz XGNSNQHTEPEZTM-VIFPVBQESA-N 0 1 377.235 3.041 20 0 GGADMN O=C(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)[C@H]1CCc2nn[nH]c2C1 ZINC000499426089 567247764 /nfs/dbraw/zinc/24/77/64/567247764.db2.gz XGNSNQHTEPEZTM-VIFPVBQESA-N 0 1 377.235 3.041 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2N)cc1 ZINC000638416231 567248192 /nfs/dbraw/zinc/24/81/92/567248192.db2.gz VQLXTRFWZQHOQZ-SNVBAGLBSA-N 0 1 388.320 3.335 20 0 GGADMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000547822228 567248548 /nfs/dbraw/zinc/24/85/48/567248548.db2.gz LLANDEDBZWEGEM-UHFFFAOYSA-N 0 1 377.388 3.342 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(Br)cc2OC)CCN1CCOC ZINC000499440062 567248815 /nfs/dbraw/zinc/24/88/15/567248815.db2.gz GDLQWYXPUDPSBS-HNNXBMFYSA-N 0 1 399.329 3.031 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(C)cc2Br)CCN1CCOC ZINC000499446855 567249349 /nfs/dbraw/zinc/24/93/49/567249349.db2.gz ZHGFRSFYPRFMRZ-HNNXBMFYSA-N 0 1 383.330 3.330 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000684979407 567249557 /nfs/dbraw/zinc/24/95/57/567249557.db2.gz UQFDPDLCDLOCKH-LWGAZXOISA-N 0 1 389.297 3.211 20 0 GGADMN CCCN1CC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000660027789 567249609 /nfs/dbraw/zinc/24/96/09/567249609.db2.gz PFJBHKSWOQDKJX-ZDUSSCGKSA-N 0 1 395.750 3.006 20 0 GGADMN CSc1n[nH]c(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n1 ZINC000684964208 567249885 /nfs/dbraw/zinc/24/98/85/567249885.db2.gz GTIRBWUWUAWNIZ-ABAIWWIYSA-N 0 1 379.283 3.132 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(Br)cc2C)CCN1CCOC ZINC000499452504 567250027 /nfs/dbraw/zinc/25/00/27/567250027.db2.gz CRZNBKUTVOJELP-INIZCTEOSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(C)c(Br)c2)CCN1CCOC ZINC000499442041 567250141 /nfs/dbraw/zinc/25/01/41/567250141.db2.gz IZDBOPOYINUWDF-INIZCTEOSA-N 0 1 383.330 3.330 20 0 GGADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1nc(SC)n[nH]1 ZINC000525455116 567250442 /nfs/dbraw/zinc/25/04/42/567250442.db2.gz GZSVTNAYXMZXMZ-NSHDSACASA-N 0 1 399.314 3.123 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)n[nH]1 ZINC000684982213 567251239 /nfs/dbraw/zinc/25/12/39/567251239.db2.gz FSVRKPHSWZTCOM-MNOVXSKESA-N 0 1 392.301 3.385 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000590845478 567251549 /nfs/dbraw/zinc/25/15/49/567251549.db2.gz SWKDYULWGKDQJC-JCURWCKSSA-N 0 1 386.323 3.295 20 0 GGADMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(Br)cn2)cc1 ZINC000475511180 567252914 /nfs/dbraw/zinc/25/29/14/567252914.db2.gz SIYHDSZLKXOJJR-GFCCVEGCSA-N 0 1 379.254 3.247 20 0 GGADMN COc1cc(Br)ccc1CN[C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475499575 567253059 /nfs/dbraw/zinc/25/30/59/567253059.db2.gz XQAHOVBUXAKUCT-CYBMUJFWSA-N 0 1 389.293 3.478 20 0 GGADMN CCOC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1 ZINC000525535728 567253789 /nfs/dbraw/zinc/25/37/89/567253789.db2.gz NBOFYESOEDSJML-UHFFFAOYSA-N 0 1 384.251 3.427 20 0 GGADMN CC[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)C(F)(F)F ZINC000455252362 567253936 /nfs/dbraw/zinc/25/39/36/567253936.db2.gz ZZXGPSJPHHTCCT-VIFPVBQESA-N 0 1 379.180 3.466 20 0 GGADMN CN(c1ccc(CNCc2cc(Cl)cc(Cl)c2N)cc1)S(C)(=O)=O ZINC000638523250 567254178 /nfs/dbraw/zinc/25/41/78/567254178.db2.gz FBLUWIMXIYUAPY-UHFFFAOYSA-N 0 1 388.320 3.261 20 0 GGADMN C[C@@H](NCc1cnc2ccc(Br)cn12)C(=O)N1Cc2ccccc2C1 ZINC000475515221 567254805 /nfs/dbraw/zinc/25/48/05/567254805.db2.gz AODWZXOFVSKADJ-CYBMUJFWSA-N 0 1 399.292 3.117 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000455266683 567255322 /nfs/dbraw/zinc/25/53/22/567255322.db2.gz IBIAOMQUNVBPFA-LBPRGKRZSA-N 0 1 398.301 3.184 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000455268445 567255408 /nfs/dbraw/zinc/25/54/08/567255408.db2.gz KPOIYPUMUHUFTO-LBPRGKRZSA-N 0 1 398.301 3.184 20 0 GGADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000525670260 567256684 /nfs/dbraw/zinc/25/66/84/567256684.db2.gz QRISEPKQLDLMEH-UHFFFAOYSA-N 0 1 386.832 3.258 20 0 GGADMN CCOc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(Cl)c1[O-] ZINC000638554909 567257066 /nfs/dbraw/zinc/25/70/66/567257066.db2.gz GNPHVLSENWBCCX-MNOVXSKESA-N 0 1 380.794 3.044 20 0 GGADMN CCCNC(=O)C1(NCc2cc(Br)cnc2OC)CCCCC1 ZINC000660095730 567260295 /nfs/dbraw/zinc/26/02/95/567260295.db2.gz LZIFGVVEJWFWCK-UHFFFAOYSA-N 0 1 384.318 3.171 20 0 GGADMN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000567613340 567261530 /nfs/dbraw/zinc/26/15/30/567261530.db2.gz ZKMNIGRNEFQFLV-BDAKNGLRSA-N 0 1 399.713 3.037 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCN(C)CC[C@@H]1C ZINC000525762256 567263687 /nfs/dbraw/zinc/26/36/87/567263687.db2.gz GROAWQSLOOBSRC-KGLIPLIRSA-N 0 1 381.314 3.211 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](n2ccnc2)C1 ZINC000591083462 567263863 /nfs/dbraw/zinc/26/38/63/567263863.db2.gz WEQRUCIZGFWKNN-CZUORRHYSA-N 0 1 377.286 3.310 20 0 GGADMN O=C(CN1CCC[C@@H]([C@H]2CCOC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660118666 567264485 /nfs/dbraw/zinc/26/44/85/567264485.db2.gz SRJJWOSEPRLLLQ-OLZOCXBDSA-N 0 1 392.297 3.257 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)C1 ZINC000433660679 567266352 /nfs/dbraw/zinc/26/63/52/567266352.db2.gz QTOWZVVXGWUPTP-UHFFFAOYSA-N 0 1 382.251 3.353 20 0 GGADMN COc1cc2nc(NCc3cccc(Br)c3OC)[nH]c2cc1OC ZINC000567676291 567266850 /nfs/dbraw/zinc/26/68/50/567266850.db2.gz VSSYXBKQOFMLRP-UHFFFAOYSA-N 0 1 392.253 3.385 20 0 GGADMN O=C(Cc1cc(Br)ccc1F)NCCN1CCc2ccccc2C1 ZINC000433697408 567267379 /nfs/dbraw/zinc/26/73/79/567267379.db2.gz NHGSVQZGWMKZQS-UHFFFAOYSA-N 0 1 391.284 3.305 20 0 GGADMN Cc1csc([C@H]2COCCN2Cc2nc3c(s2)CN(C(C)C)CC3)n1 ZINC000433687897 567267868 /nfs/dbraw/zinc/26/78/68/567267868.db2.gz AOZLCNIWZWEXAA-OAHLLOKOSA-N 0 1 378.567 3.248 20 0 GGADMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)Cc1ccc(F)cc1F ZINC000547952585 567268019 /nfs/dbraw/zinc/26/80/19/567268019.db2.gz ORWPKEWOLUBOLE-UHFFFAOYSA-N 0 1 376.331 3.143 20 0 GGADMN O[C@H]([C@@H]1CCCN1CCOc1cc(F)cc(Br)c1)C(F)(F)F ZINC000525832908 567268556 /nfs/dbraw/zinc/26/85/56/567268556.db2.gz GVLMZKFZGZHJRO-QWHCGFSZSA-N 0 1 386.183 3.355 20 0 GGADMN CC(C)(CNC(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1Br ZINC000567701178 567268859 /nfs/dbraw/zinc/26/88/59/567268859.db2.gz FOUVBAFWNJCSMV-UHFFFAOYSA-N 0 1 392.301 3.222 20 0 GGADMN CCc1cc(CNC[C@@H](O)COc2ccc(Cl)cc2Br)on1 ZINC000567691138 567269023 /nfs/dbraw/zinc/26/90/23/567269023.db2.gz QBOUHTCNMUPYIH-GFCCVEGCSA-N 0 1 389.677 3.182 20 0 GGADMN CN(C(=O)CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)C1CC1 ZINC000475721813 567269221 /nfs/dbraw/zinc/26/92/21/567269221.db2.gz COIUNLYCODZBFA-SFHVURJKSA-N 0 1 388.309 3.338 20 0 GGADMN Cn1ccnc1[C@@H](NC(C)(C)COc1ncccc1Br)C1CC1 ZINC000638789662 567269900 /nfs/dbraw/zinc/26/99/00/567269900.db2.gz CGZZJKOYIMYUPS-AWEZNQCLSA-N 0 1 379.302 3.476 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CNCc2ccsc2Br)cc1 ZINC000567707394 567270378 /nfs/dbraw/zinc/27/03/78/567270378.db2.gz SCFIPCNGJUOKOE-ZDUSSCGKSA-N 0 1 386.311 3.439 20 0 GGADMN CCc1nc(C(=O)N(C)Cc2cnc[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000616924754 567270217 /nfs/dbraw/zinc/27/02/17/567270217.db2.gz VFDBTVKKUXAVON-UHFFFAOYSA-N 0 1 379.251 3.132 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N(C)Cc2cnc[nH]2)cc1OC ZINC000616921750 567270578 /nfs/dbraw/zinc/27/05/78/567270578.db2.gz BBFDEYCLSUXNPU-UHFFFAOYSA-N 0 1 382.258 3.242 20 0 GGADMN Cn1c(CNC[C@H](O)COc2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000567711414 567270679 /nfs/dbraw/zinc/27/06/79/567270679.db2.gz APSVXYDXAKONKS-ZDUSSCGKSA-N 0 1 380.275 3.410 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000685413280 567270968 /nfs/dbraw/zinc/27/09/68/567270968.db2.gz VCXHFJQTEBCEFY-KBPBESRZSA-N 0 1 397.235 3.233 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2ccccc2Cl)nc2cc(Cl)ccc21 ZINC000567711413 567271158 /nfs/dbraw/zinc/27/11/58/567271158.db2.gz APSVXYDXAKONKS-CYBMUJFWSA-N 0 1 380.275 3.410 20 0 GGADMN CS(=O)(=O)CC1(CN(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475737741 567271784 /nfs/dbraw/zinc/27/17/84/567271784.db2.gz MTUGTCQXFMUCRQ-UHFFFAOYSA-N 0 1 386.355 3.486 20 0 GGADMN CCn1nccc1-c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000685384572 567271967 /nfs/dbraw/zinc/27/19/67/567271967.db2.gz MDFHCYGELKBPIU-UHFFFAOYSA-N 0 1 386.213 3.168 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2Br)CC1 ZINC000475750763 567273043 /nfs/dbraw/zinc/27/30/43/567273043.db2.gz OWVQENKENRKQHU-IAGOWNOFSA-N 0 1 392.341 3.181 20 0 GGADMN C[C@]1(C(=O)Nc2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)CNCCO1 ZINC000638826921 567273546 /nfs/dbraw/zinc/27/35/46/567273546.db2.gz XMZRUGFWMSDRES-ZIBATOQPSA-N 0 1 377.432 3.296 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)n[nH]1 ZINC000455433462 567274428 /nfs/dbraw/zinc/27/44/28/567274428.db2.gz KZUGBLJUZBBEMN-UHFFFAOYSA-N 0 1 376.617 3.244 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000567772886 567275127 /nfs/dbraw/zinc/27/51/27/567275127.db2.gz AZMQMRJQBVHHMJ-MSOLQXFVSA-N 0 1 389.293 3.357 20 0 GGADMN Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)sc1Br ZINC000433830316 567275682 /nfs/dbraw/zinc/27/56/82/567275682.db2.gz WPRFRTMYFJSPKO-NSHDSACASA-N 0 1 393.372 3.114 20 0 GGADMN CN(C(=O)N[C@@H](C1CC1)C(F)(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000455448062 567275614 /nfs/dbraw/zinc/27/56/14/567275614.db2.gz NMFLMTMKFZJCJE-LBPRGKRZSA-N 0 1 375.357 3.386 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cc(Br)c2c(c1)OCCO2 ZINC000685440974 567275841 /nfs/dbraw/zinc/27/58/41/567275841.db2.gz XVMHKGUIOYBXRF-CMSWKTDVSA-N 0 1 380.282 3.076 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000525932172 567276058 /nfs/dbraw/zinc/27/60/58/567276058.db2.gz KQJOUIBWQPWMOB-DFAYQTQMSA-N 0 1 396.264 3.185 20 0 GGADMN C[C@@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000567781299 567277214 /nfs/dbraw/zinc/27/72/14/567277214.db2.gz BCZJOBOKRGABCB-ZIAGYGMSSA-N 0 1 379.551 3.228 20 0 GGADMN C[C@@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000567781299 567277223 /nfs/dbraw/zinc/27/72/23/567277223.db2.gz BCZJOBOKRGABCB-ZIAGYGMSSA-N 0 1 379.551 3.228 20 0 GGADMN CN(CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCSC1 ZINC000475786622 567277637 /nfs/dbraw/zinc/27/76/37/567277637.db2.gz DKDFAKOSRSGHTI-UONOGXRCSA-N 0 1 388.364 3.126 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc(-n2cccn2)c1 ZINC000475811867 567278142 /nfs/dbraw/zinc/27/81/42/567278142.db2.gz DIQHSAJKFQQHPD-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN Brc1cnc2c(CN3CCC(Cc4cccnc4)CC3)cnn2c1 ZINC000638927032 567278593 /nfs/dbraw/zinc/27/85/93/567278593.db2.gz RHRIKXAGEGHIII-UHFFFAOYSA-N 0 1 386.297 3.342 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Br)cc(C(=O)OC)c2C)C[C@H]1C ZINC000591351796 567278866 /nfs/dbraw/zinc/27/88/66/567278866.db2.gz RODXJHUEXZYPJG-LLVKDONJSA-N 0 1 398.301 3.102 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000567796301 567279150 /nfs/dbraw/zinc/27/91/50/567279150.db2.gz QRSDBBVUKKAPDO-RDTXWAMCSA-N 0 1 388.309 3.152 20 0 GGADMN CC(C)CCS(=O)(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000591389845 567279809 /nfs/dbraw/zinc/27/98/09/567279809.db2.gz GCRDFGMKXJQDLT-UHFFFAOYSA-N 0 1 380.476 3.445 20 0 GGADMN C[C@](N)(C(=O)N1CCc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000567815921 567280133 /nfs/dbraw/zinc/28/01/33/567280133.db2.gz ZOAAFXJGKZUJBW-GOSISDBHSA-N 0 1 377.257 3.347 20 0 GGADMN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Br)cc2F)cn1 ZINC000475832133 567280566 /nfs/dbraw/zinc/28/05/66/567280566.db2.gz MSMFWKCYLIAAHQ-UHFFFAOYSA-N 0 1 388.262 3.378 20 0 GGADMN CC(C)Cc1ncc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cn1 ZINC000475829877 567280586 /nfs/dbraw/zinc/28/05/86/567280586.db2.gz RNUCDDIMLDCKEJ-NSHDSACASA-N 0 1 381.885 3.453 20 0 GGADMN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)OC)c(C)o2)c1 ZINC000475835401 567280807 /nfs/dbraw/zinc/28/08/07/567280807.db2.gz QDRHSHPNFWDMNI-UHFFFAOYSA-N 0 1 385.825 3.422 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000548124591 567282399 /nfs/dbraw/zinc/28/23/99/567282399.db2.gz CQOOCISQOMZZRI-MSOLQXFVSA-N 0 1 381.303 3.316 20 0 GGADMN CSCC[C@H](NC(=O)c1ccccc1Cl)c1nc(C2(N)CCC2)no1 ZINC000567852144 567283312 /nfs/dbraw/zinc/28/33/12/567283312.db2.gz SOSKRTOOCIZMFY-ZDUSSCGKSA-N 0 1 380.901 3.285 20 0 GGADMN Cc1cc(C(=O)NCCN2CC=CCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000526024925 567283524 /nfs/dbraw/zinc/28/35/24/567283524.db2.gz FBADZSTUGXLLQC-UHFFFAOYSA-N 0 1 379.291 3.479 20 0 GGADMN Cc1nc2ccc(Br)cn2c1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000526010996 567283749 /nfs/dbraw/zinc/28/37/49/567283749.db2.gz VEBXXQIZWGLTJP-SNVBAGLBSA-N 0 1 391.273 3.138 20 0 GGADMN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000567862165 567284553 /nfs/dbraw/zinc/28/45/53/567284553.db2.gz PYINFORUAMDHPN-SCZZXKLOSA-N 0 1 399.713 3.037 20 0 GGADMN Cc1ccc(CCN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1 ZINC000526041667 567285124 /nfs/dbraw/zinc/28/51/24/567285124.db2.gz SUYGUJMBEPJHIA-JTQLQIEISA-N 0 1 377.293 3.436 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCN1C ZINC000526048780 567285965 /nfs/dbraw/zinc/28/59/65/567285965.db2.gz NFPCJXPZMHDLCE-CJNGLKHVSA-N 0 1 386.945 3.280 20 0 GGADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(C)cc2Br)cn1 ZINC000433999676 567288103 /nfs/dbraw/zinc/28/81/03/567288103.db2.gz QXKJTODIBKZZEJ-AEFFLSMTSA-N 0 1 391.313 3.083 20 0 GGADMN COc1ccc2c(c1)OC[C@@H](NCc1cn3ccc(Br)cc3n1)C2 ZINC000685619793 567288430 /nfs/dbraw/zinc/28/84/30/567288430.db2.gz HZNIJXOYTWHZAH-AWEZNQCLSA-N 0 1 388.265 3.199 20 0 GGADMN CSc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)s1 ZINC000685619569 567288653 /nfs/dbraw/zinc/28/86/53/567288653.db2.gz JWKGCPCLPBVYLI-UHFFFAOYSA-N 0 1 376.594 3.216 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1nc(Cc2cccc(Br)c2)no1 ZINC000567905611 567289109 /nfs/dbraw/zinc/28/91/09/567289109.db2.gz INIPBWFEXCWZSW-UHFFFAOYSA-N 0 1 396.285 3.356 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Nc2nc(Sc3ccc(C)cc3)ns2)n[nH]1 ZINC000685658305 567290438 /nfs/dbraw/zinc/29/04/38/567290438.db2.gz GZBQKXVNGDUROR-VIFPVBQESA-N 0 1 375.483 3.307 20 0 GGADMN CN(Cc1ccc(F)cc1Br)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000567909785 567290435 /nfs/dbraw/zinc/29/04/35/567290435.db2.gz UGADZBZMWQVJHC-QGZVFWFLSA-N 0 1 377.257 3.261 20 0 GGADMN NC(=O)[C@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc(Br)c1 ZINC000639122876 567290539 /nfs/dbraw/zinc/29/05/39/567290539.db2.gz GYECPPOPBNKKMR-HUUCEWRRSA-N 0 1 392.301 3.005 20 0 GGADMN COc1ccc([C@@H](N[C@@H](C)C(=O)NCCF)C(C)C)c(Br)c1 ZINC000685654521 567290940 /nfs/dbraw/zinc/29/09/40/567290940.db2.gz LMMFGCMMFMPQNB-NHYWBVRUSA-N 0 1 375.282 3.219 20 0 GGADMN COc1cc(CNCc2cnc3n[nH]c(C)c3c2)cc(Br)c1OC ZINC000591717871 567292366 /nfs/dbraw/zinc/29/23/66/567292366.db2.gz VUJISSJURTVBIM-UHFFFAOYSA-N 0 1 391.269 3.336 20 0 GGADMN Cc1cc(CCC(=O)Nc2ccn(-c3ccncc3)n2)ccc1Br ZINC000434116044 567293813 /nfs/dbraw/zinc/29/38/13/567293813.db2.gz NTKVJPNAETUVLE-UHFFFAOYSA-N 0 1 385.265 3.331 20 0 GGADMN OCC[C@@H](NCc1cnn2cc(Br)cnc12)c1ccc(Cl)cc1 ZINC000639183618 567295545 /nfs/dbraw/zinc/29/55/45/567295545.db2.gz YAOGYFQLAGBXTG-OAHLLOKOSA-N 0 1 395.688 3.359 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660449923 567295719 /nfs/dbraw/zinc/29/57/19/567295719.db2.gz BNROJCPMJLOAHD-QGZVFWFLSA-N 0 1 380.286 3.399 20 0 GGADMN CCC[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000500069982 567296602 /nfs/dbraw/zinc/29/66/02/567296602.db2.gz MFLOIOLLZNLNOF-GFCCVEGCSA-N 0 1 395.388 3.396 20 0 GGADMN CN(Cc1ccccc1)C[C@@H](O)CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000591776208 567297073 /nfs/dbraw/zinc/29/70/73/567297073.db2.gz ADQQTAQXVDWANN-BVZFJXPGSA-N 0 1 380.941 3.123 20 0 GGADMN CCN(CC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000476101346 567297173 /nfs/dbraw/zinc/29/71/73/567297173.db2.gz VBLANGZIXDRBEH-HNNXBMFYSA-N 0 1 384.307 3.089 20 0 GGADMN C[C@@]1(C(N)=O)CCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000660460493 567297948 /nfs/dbraw/zinc/29/79/48/567297948.db2.gz GEJBDHMNZURKIH-CQSZACIVSA-N 0 1 395.219 3.088 20 0 GGADMN Cc1nc2n(n1)C[C@H](NCc1cc(C(F)(F)F)ccc1Br)CC2 ZINC000568019246 567297810 /nfs/dbraw/zinc/29/78/10/567297810.db2.gz RXVZPZOHLRJJFH-GFCCVEGCSA-N 0 1 389.219 3.472 20 0 GGADMN Cc1nc2n(n1)C[C@@H](NCc1cc(C(F)(F)F)ccc1Br)CC2 ZINC000568019247 567297827 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ZINC000591817209 567299880 /nfs/dbraw/zinc/29/98/80/567299880.db2.gz ZAYZJLYJKKNNLP-UHFFFAOYSA-N 0 1 381.325 3.012 20 0 GGADMN CC(C)(CO)[C@@H](NCc1cnn2cc(Br)cnc12)c1cccs1 ZINC000639245231 567299859 /nfs/dbraw/zinc/29/98/59/567299859.db2.gz WLLUSPLOVWMNFR-AWEZNQCLSA-N 0 1 395.326 3.403 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000591817257 567300069 /nfs/dbraw/zinc/30/00/69/567300069.db2.gz BBZBUNFFKUBDIG-TXEJJXNPSA-N 0 1 378.460 3.139 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000591817257 567300078 /nfs/dbraw/zinc/30/00/78/567300078.db2.gz BBZBUNFFKUBDIG-TXEJJXNPSA-N 0 1 378.460 3.139 20 0 GGADMN Fc1cc(Br)cc(CN2CCC[C@@H](N3CCOCC3)CC2)c1F ZINC000660472076 567300124 /nfs/dbraw/zinc/30/01/24/567300124.db2.gz BWQGNLNFMKHENB-OAHLLOKOSA-N 0 1 389.284 3.414 20 0 GGADMN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cnc[nH]1 ZINC000526950712 567300210 /nfs/dbraw/zinc/30/02/10/567300210.db2.gz LONYTLLAYSBTFP-CYBMUJFWSA-N 0 1 394.269 3.002 20 0 GGADMN Cc1cc(CCC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000434216771 567300591 /nfs/dbraw/zinc/30/05/91/567300591.db2.gz IBZPUGRHDLHTDV-IYBDPMFKSA-N 0 1 397.357 3.306 20 0 GGADMN O=C(CN1CCC2(CCOCC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000660495207 567300807 /nfs/dbraw/zinc/30/08/07/567300807.db2.gz FRFSIABJJORHFI-UHFFFAOYSA-N 0 1 392.297 3.401 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCOc3ccc(Br)cc3C2)nc1C ZINC000660489845 567300875 /nfs/dbraw/zinc/30/08/75/567300875.db2.gz MNRABUYFZHXTIO-UHFFFAOYSA-N 0 1 378.270 3.120 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000500116219 567301013 /nfs/dbraw/zinc/30/10/13/567301013.db2.gz UICPCLOQRRJINZ-LBPRGKRZSA-N 0 1 396.887 3.484 20 0 GGADMN Fc1ccc(Br)c(F)c1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000500128328 567301064 /nfs/dbraw/zinc/30/10/64/567301064.db2.gz YOIJLOYMMQBPEK-ZDUSSCGKSA-N 0 1 389.284 3.272 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCN(c3cccc(Br)c3)CC2)nc1C ZINC000660496359 567301314 /nfs/dbraw/zinc/30/13/14/567301314.db2.gz 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/nfs/dbraw/zinc/30/29/58/567302958.db2.gz ORIMYRKECMLQKQ-MRXNPFEDSA-N 0 1 388.269 3.136 20 0 GGADMN CC(C)(CO)N1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000685837592 567302996 /nfs/dbraw/zinc/30/29/96/567302996.db2.gz URUIWLOPGPSLRG-UHFFFAOYSA-N 0 1 395.263 3.356 20 0 GGADMN COCC1(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)CCC1 ZINC000568073063 567303053 /nfs/dbraw/zinc/30/30/53/567303053.db2.gz SYFBAORMFNGALP-JKSUJKDBSA-N 0 1 382.298 3.366 20 0 GGADMN O[C@H](CN[C@@H]1COc2cc(F)c(Br)cc21)COc1ccccc1 ZINC000568079334 567303158 /nfs/dbraw/zinc/30/31/58/567303158.db2.gz QVQURVAHQMKAAL-BDJLRTHQSA-N 0 1 382.229 3.051 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(F)(F)F ZINC000568073059 567303217 /nfs/dbraw/zinc/30/32/17/567303217.db2.gz SSOJIFFFPGYLAM-LBPRGKRZSA-N 0 1 384.192 3.039 20 0 GGADMN CC(C)(CNCc1nc2cc(Br)ccc2o1)[C@@]1(O)CCCOC1 ZINC000639327918 567304268 /nfs/dbraw/zinc/30/42/68/567304268.db2.gz DXTSHJFVKPRHPK-QGZVFWFLSA-N 0 1 383.286 3.248 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccn1)N1CCc2ccc(Br)cc2C1 ZINC000685849374 567304763 /nfs/dbraw/zinc/30/47/63/567304763.db2.gz BEBUWUFAKGKJDJ-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN CCOC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000617372935 567305045 /nfs/dbraw/zinc/30/50/45/567305045.db2.gz BQTXYZFZPRMNCB-UHFFFAOYSA-N 0 1 378.270 3.480 20 0 GGADMN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000548303130 567305300 /nfs/dbraw/zinc/30/53/00/567305300.db2.gz MPNWGVUNNJBWKJ-MRVPVSSYSA-N 0 1 378.807 3.158 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)N(C)Cc2ccc(Br)s2)cn1 ZINC000548302920 567305342 /nfs/dbraw/zinc/30/53/42/567305342.db2.gz ZUMSGLXEGIYCAY-UHFFFAOYSA-N 0 1 394.298 3.389 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000548303540 567305544 /nfs/dbraw/zinc/30/55/44/567305544.db2.gz NMXYUELNOVVMHA-NSHDSACASA-N 0 1 378.885 3.019 20 0 GGADMN NS(=O)(=O)c1cccc2c1CCN(CC1CCC(C(F)(F)F)CC1)C2 ZINC000639395722 567306762 /nfs/dbraw/zinc/30/67/62/567306762.db2.gz TZUAQSQPRCLLHY-UHFFFAOYSA-N 0 1 376.444 3.061 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1)[C@H](O)C(F)(F)F ZINC000660528695 567306820 /nfs/dbraw/zinc/30/68/20/567306820.db2.gz OUUFJMXWRFFMLS-PKIAMQTDSA-N 0 1 380.838 3.443 20 0 GGADMN O=c1[n-]c([C@H]2CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)n[nH]1 ZINC000660557166 567308448 /nfs/dbraw/zinc/30/84/48/567308448.db2.gz KPFPCQMCFCLKHM-JTQLQIEISA-N 0 1 377.242 3.399 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C2)n1 ZINC000639459040 567308820 /nfs/dbraw/zinc/30/88/20/567308820.db2.gz DBQOLNBJEHIWBM-SWLSCSKDSA-N 0 1 386.279 3.304 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1cccc(Br)c1C ZINC000476263272 567309033 /nfs/dbraw/zinc/30/90/33/567309033.db2.gz UXPKUTGLWINLPH-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN Cc1noc(C2CCN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000639459746 567310043 /nfs/dbraw/zinc/31/00/43/567310043.db2.gz OKQAAUJGMDQJEP-HNNXBMFYSA-N 0 1 386.279 3.304 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)n1 ZINC000639459041 567310059 /nfs/dbraw/zinc/31/00/59/567310059.db2.gz DBQOLNBJEHIWBM-WFASDCNBSA-N 0 1 386.279 3.304 20 0 GGADMN CCSc1cccc(F)c1NS(=O)(=O)c1sc(NC(C)=O)nc1C ZINC000685916261 567310302 /nfs/dbraw/zinc/31/03/02/567310302.db2.gz BBMDNOBCRCKKRG-UHFFFAOYSA-N 0 1 389.499 3.462 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(CCOc2cc(F)cc(Br)c2)C1 ZINC000527074249 567310436 /nfs/dbraw/zinc/31/04/36/567310436.db2.gz PRWKEHGPNVYNNO-HNNXBMFYSA-N 0 1 385.277 3.054 20 0 GGADMN O=C(CNC1(c2cccc(Br)c2)CCOCC1)Nc1ccccn1 ZINC000639536751 567311832 /nfs/dbraw/zinc/31/18/32/567311832.db2.gz JJZGQLLYJUFGSP-UHFFFAOYSA-N 0 1 390.281 3.078 20 0 GGADMN O=C(c1cccc(Br)c1O)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000568214940 567312121 /nfs/dbraw/zinc/31/21/21/567312121.db2.gz HGSSXUPMRGAZCB-ZIAGYGMSSA-N 0 1 387.277 3.363 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000617467083 567312126 /nfs/dbraw/zinc/31/21/26/567312126.db2.gz XCOWPHXIIFZCGE-SSDOTTSWSA-N 0 1 378.397 3.163 20 0 GGADMN O=C(c1cccc(Br)c1O)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000568214938 567312179 /nfs/dbraw/zinc/31/21/79/567312179.db2.gz HGSSXUPMRGAZCB-KBPBESRZSA-N 0 1 387.277 3.363 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000476312169 567313088 /nfs/dbraw/zinc/31/30/88/567313088.db2.gz YIZYJKBLKAWVGG-DGCLKSJQSA-N 0 1 376.551 3.171 20 0 GGADMN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1conc1C(C)(C)N ZINC000568234881 567313334 /nfs/dbraw/zinc/31/33/34/567313334.db2.gz BANNENJECUQSAY-UHFFFAOYSA-N 0 1 392.297 3.435 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)cc1Cl ZINC000434557496 567313442 /nfs/dbraw/zinc/31/34/42/567313442.db2.gz FEMDTMMNXRAJJY-CQSZACIVSA-N 0 1 381.929 3.134 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000568236656 567313701 /nfs/dbraw/zinc/31/37/01/567313701.db2.gz RFXQYUXWIOWKRR-HNNXBMFYSA-N 0 1 380.853 3.429 20 0 GGADMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1conc1C(C)(C)N ZINC000568235545 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ZINC000660649405 567314930 /nfs/dbraw/zinc/31/49/30/567314930.db2.gz APTKOYMLFRQWEP-AWEZNQCLSA-N 0 1 379.298 3.492 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC2(CCOCC2)O1 ZINC000639616557 567315101 /nfs/dbraw/zinc/31/51/01/567315101.db2.gz ASIJFCLJTIBWIJ-CZUORRHYSA-N 0 1 390.307 3.003 20 0 GGADMN CCCn1nccc1NC(=O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000639631125 567315242 /nfs/dbraw/zinc/31/52/42/567315242.db2.gz IPIPNXAMRRQPKW-KRWDZBQOSA-N 0 1 392.301 3.130 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000592095245 567315150 /nfs/dbraw/zinc/31/51/50/567315150.db2.gz JOFLWFYEORHQRQ-QGZVFWFLSA-N 0 1 395.341 3.098 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000592096429 567315335 /nfs/dbraw/zinc/31/53/35/567315335.db2.gz AWPQLVSULQZKII-CYBMUJFWSA-N 0 1 377.337 3.313 20 0 GGADMN Cc1[nH]nc(NS(=O)(=O)Cc2cc(Cl)ccc2Br)c1C ZINC000568268806 567316345 /nfs/dbraw/zinc/31/63/45/567316345.db2.gz KKKHCJWTGILQOI-UHFFFAOYSA-N 0 1 378.679 3.384 20 0 GGADMN CCS(=O)(=O)c1cccc(CN[C@@H](C)c2cncc(Br)c2)c1 ZINC000568278059 567316775 /nfs/dbraw/zinc/31/67/75/567316775.db2.gz LHLPSDRDLQZJMX-LBPRGKRZSA-N 0 1 383.311 3.489 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3cc(Br)ccc3c2)CCN1C ZINC000476342114 567317288 /nfs/dbraw/zinc/31/72/88/567317288.db2.gz MTHKLARJUNMHCD-MLGOLLRUSA-N 0 1 397.338 3.363 20 0 GGADMN CC1(C)Cc2cc(S(=O)(=O)Nc3cncc(Br)c3)ccc2O1 ZINC000568301772 567318406 /nfs/dbraw/zinc/31/84/06/567318406.db2.gz WHTJQQSDJDCBRM-UHFFFAOYSA-N 0 1 383.267 3.358 20 0 GGADMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000500419089 567318691 /nfs/dbraw/zinc/31/86/91/567318691.db2.gz AOIMSLXUBALXQB-UHFFFAOYSA-N 0 1 388.320 3.141 20 0 GGADMN Cn1cnc2cc(C(=O)Nc3cc(Br)cc(Cl)c3O)cnc21 ZINC000500412321 567319508 /nfs/dbraw/zinc/31/95/08/567319508.db2.gz VRMGDAGGYZOSRC-UHFFFAOYSA-N 0 1 381.617 3.342 20 0 GGADMN O[C@@H](CNCc1cc(C(F)(F)F)ccc1Br)COCC1CC1 ZINC000568332906 567319597 /nfs/dbraw/zinc/31/95/97/567319597.db2.gz YRCBVHJSMSXYKE-ZDUSSCGKSA-N 0 1 382.220 3.345 20 0 GGADMN O=S1(=O)CC[C@@H](N[C@@H]2CCCc3cn[nH]c32)c2cc(Br)ccc21 ZINC000548481994 567319840 /nfs/dbraw/zinc/31/98/40/567319840.db2.gz JTJNQUWVKAFQSW-ZIAGYGMSSA-N 0 1 396.310 3.058 20 0 GGADMN O=C(CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccc(Cl)cc1Cl ZINC000639768354 567319899 /nfs/dbraw/zinc/31/98/99/567319899.db2.gz RGMDXUFGKDVJQB-WBVHZDCISA-N 0 1 387.307 3.232 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000568319462 567320354 /nfs/dbraw/zinc/32/03/54/567320354.db2.gz GSAKNFAQHRIDIJ-GFCCVEGCSA-N 0 1 390.452 3.108 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1csc(CS(C)(=O)=O)n1 ZINC000660709243 567320500 /nfs/dbraw/zinc/32/05/00/567320500.db2.gz HZOZNMKJDVJSSU-JTQLQIEISA-N 0 1 398.941 3.410 20 0 GGADMN O=C(CN[C@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1cccc(Cl)c1Cl ZINC000639767083 567320850 /nfs/dbraw/zinc/32/08/50/567320850.db2.gz MKRCPDRWIXVEFA-RHSMWYFYSA-N 0 1 387.307 3.232 20 0 GGADMN O=C(c1cnc[nH]1)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000527201282 567320855 /nfs/dbraw/zinc/32/08/55/567320855.db2.gz GRUQMZKLNBDWLY-CYBMUJFWSA-N 0 1 388.225 3.200 20 0 GGADMN O=C(CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)Nc1cccc(Cl)c1Cl ZINC000639767085 567320877 /nfs/dbraw/zinc/32/08/77/567320877.db2.gz MKRCPDRWIXVEFA-YOEHRIQHSA-N 0 1 387.307 3.232 20 0 GGADMN Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771176 567320994 /nfs/dbraw/zinc/32/09/94/567320994.db2.gz BJCOCUDBRLYYCU-MRXNPFEDSA-N 0 1 379.302 3.283 20 0 GGADMN O=C(CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)Nc1c(Cl)cccc1Cl ZINC000639766823 567321029 /nfs/dbraw/zinc/32/10/29/567321029.db2.gz NCKYBXRANAVCBJ-YOEHRIQHSA-N 0 1 387.307 3.232 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@H]1C ZINC000500431805 567321391 /nfs/dbraw/zinc/32/13/91/567321391.db2.gz ZDJWQSMEQDOBFV-CABCVRRESA-N 0 1 379.551 3.351 20 0 GGADMN COC[C@@H](NCc1ccc(I)cc1Cl)[C@H]1CCCO1 ZINC000500451243 567322609 /nfs/dbraw/zinc/32/26/09/567322609.db2.gz LOOMIOKSCQPJEH-ZIAGYGMSSA-N 0 1 395.668 3.228 20 0 GGADMN CCSc1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2OC)c1 ZINC000476424139 567323069 /nfs/dbraw/zinc/32/30/69/567323069.db2.gz QCAFRVIHRKWMOT-UHFFFAOYSA-N 0 1 381.475 3.395 20 0 GGADMN COC[C@H](NCc1ccc(I)cc1Cl)[C@@H]1CCCO1 ZINC000500451238 567323239 /nfs/dbraw/zinc/32/32/39/567323239.db2.gz LOOMIOKSCQPJEH-KBPBESRZSA-N 0 1 395.668 3.228 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)NCc3nc(C)c(Br)s3)C2)n[nH]1 ZINC000568358925 567323220 /nfs/dbraw/zinc/32/32/20/567323220.db2.gz GWMRZGUZVYWEAH-LLVKDONJSA-N 0 1 398.330 3.335 20 0 GGADMN O=C(CNCc1ccc(Br)c(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000500474154 567323684 /nfs/dbraw/zinc/32/36/84/567323684.db2.gz YRCCWZFTFGZOFM-MRXNPFEDSA-N 0 1 393.256 3.318 20 0 GGADMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000568390929 567323957 /nfs/dbraw/zinc/32/39/57/567323957.db2.gz RGUJSIILXMSDFS-RQJHMYQMSA-N 0 1 390.130 3.160 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)nc1C ZINC000500475649 567324670 /nfs/dbraw/zinc/32/46/70/567324670.db2.gz JDXGZWXABRQHFB-UHFFFAOYSA-N 0 1 378.679 3.428 20 0 GGADMN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCN1CC=CCC1 ZINC000527267224 567325078 /nfs/dbraw/zinc/32/50/78/567325078.db2.gz RNKLQBRJQKKULE-UHFFFAOYSA-N 0 1 390.281 3.404 20 0 GGADMN C[C@H](NC(=O)CN(C1CC1)C1(CO)CCC1)c1ccc(Br)cc1 ZINC000660773989 567325788 /nfs/dbraw/zinc/32/57/88/567325788.db2.gz DGINOIMILINBES-ZDUSSCGKSA-N 0 1 381.314 3.006 20 0 GGADMN Cc1ncc(CNC(=O)CCN[C@@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000639862755 567327901 /nfs/dbraw/zinc/32/79/01/567327901.db2.gz NNJDYCOGPBVONR-AWEZNQCLSA-N 0 1 388.320 3.088 20 0 GGADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H]1CCCCN1C1CC1 ZINC000434776481 567328125 /nfs/dbraw/zinc/32/81/25/567328125.db2.gz NIHDAJHGODNKBD-MRXNPFEDSA-N 0 1 377.337 3.430 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476499871 567328832 /nfs/dbraw/zinc/32/88/32/567328832.db2.gz OZULNMOKODZZPZ-LALPHHSUSA-N 0 1 384.307 3.088 20 0 GGADMN O=C(CNCc1csc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000500533271 567328936 /nfs/dbraw/zinc/32/89/36/567328936.db2.gz NWJZSISMUVAWQL-ZDUSSCGKSA-N 0 1 381.295 3.240 20 0 GGADMN COC[C@@H](NCc1cccc(Br)c1OC(F)F)[C@@H]1CCCO1 ZINC000434785549 567329224 /nfs/dbraw/zinc/32/92/24/567329224.db2.gz ONJHIEUZTHMJQQ-OLZOCXBDSA-N 0 1 380.229 3.334 20 0 GGADMN CN(Cc1n[nH]c(=O)o1)Cc1cccc(OCC(F)(F)F)c1Br ZINC000660844268 567329403 /nfs/dbraw/zinc/32/94/03/567329403.db2.gz NFZSGXMGBNPJIS-UHFFFAOYSA-N 0 1 396.163 3.111 20 0 GGADMN COC[C@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000434787500 567329482 /nfs/dbraw/zinc/32/94/82/567329482.db2.gz QYIQEZGFNUZOCN-UONOGXRCSA-N 0 1 380.794 3.081 20 0 GGADMN COC[C@H](NCc1cccc(Br)c1OC(F)F)[C@H]1CCCO1 ZINC000434785551 567329549 /nfs/dbraw/zinc/32/95/49/567329549.db2.gz ONJHIEUZTHMJQQ-QWHCGFSZSA-N 0 1 380.229 3.334 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476506005 567329694 /nfs/dbraw/zinc/32/96/94/567329694.db2.gz GHPDCWRGCWEZDB-GDBMZVCRSA-N 0 1 384.307 3.089 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](C)Cc1n[n-]c(=O)o1 ZINC000660843993 567330138 /nfs/dbraw/zinc/33/01/38/567330138.db2.gz CXUIXBFYSHOTQM-UHFFFAOYSA-N 0 1 397.273 3.005 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476506010 567330254 /nfs/dbraw/zinc/33/02/54/567330254.db2.gz GHPDCWRGCWEZDB-HOCLYGCPSA-N 0 1 384.307 3.089 20 0 GGADMN COC[C@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000434795813 567330338 /nfs/dbraw/zinc/33/03/38/567330338.db2.gz RJCNXVNOPZNFPF-QWHCGFSZSA-N 0 1 380.794 3.081 20 0 GGADMN COCC[C@]1(NCc2cc(Cl)ccc2I)CCOC1 ZINC000593027853 567379493 /nfs/dbraw/zinc/37/94/93/567379493.db2.gz XWHSECIVAQMUJU-AWEZNQCLSA-N 0 1 395.668 3.230 20 0 GGADMN CSCC[C@H](NC(=O)c1ccccc1Cl)c1nc([C@@H]2CCCN2)no1 ZINC000592357704 567332319 /nfs/dbraw/zinc/33/23/19/567332319.db2.gz LKTVENNECIXQHA-KBPBESRZSA-N 0 1 380.901 3.372 20 0 GGADMN C[C@H](Oc1ccc(I)cc1)c1nc([C@H]2CCCN2)no1 ZINC000592356198 567332577 /nfs/dbraw/zinc/33/25/77/567332577.db2.gz GOJNIUYDWHCUEX-JOYOIKCWSA-N 0 1 385.205 3.239 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)C(C)C ZINC000592353740 567332749 /nfs/dbraw/zinc/33/27/49/567332749.db2.gz PRWMZQNPCFSLFK-OAHLLOKOSA-N 0 1 375.462 3.194 20 0 GGADMN Ic1ccc(OCCCc2nc([C@H]3CCCN3)no2)cc1 ZINC000592357303 567332771 /nfs/dbraw/zinc/33/27/71/567332771.db2.gz VSNNFKRRKFFMKW-CYBMUJFWSA-N 0 1 399.232 3.110 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)n[nH]1 ZINC000500611283 567333515 /nfs/dbraw/zinc/33/35/15/567333515.db2.gz ROUMZXNJBAKFRT-DTWKUNHWSA-N 0 1 384.253 3.006 20 0 GGADMN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CC(N(C)C)C1 ZINC000476550095 567334726 /nfs/dbraw/zinc/33/47/26/567334726.db2.gz QCEUIZVYBJLWHO-UHFFFAOYSA-N 0 1 378.270 3.053 20 0 GGADMN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1ccc(Br)s1 ZINC000476563511 567334975 /nfs/dbraw/zinc/33/49/75/567334975.db2.gz DXNBDWJXAPPVLZ-LLVKDONJSA-N 0 1 381.361 3.053 20 0 GGADMN COc1ccc2c(c1)CCN(C(=O)c1cccc(Br)c1O)CC2 ZINC000527387341 567335419 /nfs/dbraw/zinc/33/54/19/567335419.db2.gz NESDATPKQBSYDS-UHFFFAOYSA-N 0 1 376.250 3.404 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)CN(Cc2cccs2)Cc2cccs2)C[C@@H](C)O1 ZINC000592387204 567335547 /nfs/dbraw/zinc/33/55/47/567335547.db2.gz YVRSUUUKBJEHAH-BRWVUGGUSA-N 0 1 380.579 3.282 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000592408268 567336203 /nfs/dbraw/zinc/33/62/03/567336203.db2.gz HAMDPLYPFWNVGL-KJWYOANISA-N 0 1 383.319 3.155 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592408264 567336332 /nfs/dbraw/zinc/33/63/32/567336332.db2.gz HAMDPLYPFWNVGL-DTDBQYNISA-N 0 1 383.319 3.155 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000592402882 567336372 /nfs/dbraw/zinc/33/63/72/567336372.db2.gz BIOLOXWNKNCXOH-ZWKOTPCHSA-N 0 1 382.957 3.270 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592402880 567336884 /nfs/dbraw/zinc/33/68/84/567336884.db2.gz BIOLOXWNKNCXOH-QZTJIDSGSA-N 0 1 382.957 3.270 20 0 GGADMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000548611430 567337080 /nfs/dbraw/zinc/33/70/80/567337080.db2.gz GTUPCEDJDAMAFC-UHFFFAOYSA-N 0 1 375.837 3.096 20 0 GGADMN Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000660958683 567337147 /nfs/dbraw/zinc/33/71/47/567337147.db2.gz KCFQRMAIMKQDDK-WBVHZDCISA-N 0 1 383.279 3.094 20 0 GGADMN O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(Br)c1O ZINC000592449672 567339183 /nfs/dbraw/zinc/33/91/83/567339183.db2.gz CBKBURJOLCFTMD-UHFFFAOYSA-N 0 1 386.249 3.313 20 0 GGADMN CCCc1nc(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s[n-]1 ZINC000568568031 567339187 /nfs/dbraw/zinc/33/91/87/567339187.db2.gz BYCFLZCNFAAMFB-CYBMUJFWSA-N 0 1 379.555 3.008 20 0 GGADMN CCN(CC)c1ccc(CNC(=O)c2cccc(Br)c2O)cn1 ZINC000592450558 567339437 /nfs/dbraw/zinc/33/94/37/567339437.db2.gz GXVHKXRGWUTWCP-UHFFFAOYSA-N 0 1 378.270 3.326 20 0 GGADMN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000435042704 567339559 /nfs/dbraw/zinc/33/95/59/567339559.db2.gz NOLOXQARPRBVON-QGZVFWFLSA-N 0 1 376.547 3.415 20 0 GGADMN C[C@H](c1nc(Cc2cc(Br)c[nH]c2=O)no1)N1CCCCCC1 ZINC000527494167 567339748 /nfs/dbraw/zinc/33/97/48/567339748.db2.gz VTQJVDLAFCUZJB-LLVKDONJSA-N 0 1 381.274 3.461 20 0 GGADMN COC(=O)[C@@H](C)CN(CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000476611323 567340492 /nfs/dbraw/zinc/34/04/92/567340492.db2.gz XLFYWKGORMROQE-LBPRGKRZSA-N 0 1 387.307 3.225 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)n[nH]1 ZINC000568582405 567340913 /nfs/dbraw/zinc/34/09/13/567340913.db2.gz YLFIXGJSMMXDAN-QMMMGPOBSA-N 0 1 379.877 3.365 20 0 GGADMN C[C@@H](CO)[C@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000617854948 567341483 /nfs/dbraw/zinc/34/14/83/567341483.db2.gz JIYRELPZGGUYGO-GXTWGEPZSA-N 0 1 392.297 3.462 20 0 GGADMN O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(F)ccc1Br ZINC000435137874 567343905 /nfs/dbraw/zinc/34/39/05/567343905.db2.gz OUQOKZYEAACGQV-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN Cc1nnc(SCCC(=O)N2CC[C@H](c3cccc(Br)c3)C2)[nH]1 ZINC000456145574 567344767 /nfs/dbraw/zinc/34/47/67/567344767.db2.gz KFBRCWAJERMFIV-ZDUSSCGKSA-N 0 1 395.326 3.374 20 0 GGADMN Cc1nn(C)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1Br ZINC000640161740 567345342 /nfs/dbraw/zinc/34/53/42/567345342.db2.gz FSGIYGQZDKTFHQ-GFCCVEGCSA-N 0 1 396.289 3.043 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000500789361 567345470 /nfs/dbraw/zinc/34/54/70/567345470.db2.gz ZWYVXPUNGCWRNA-UHFFFAOYSA-N 0 1 384.885 3.220 20 0 GGADMN CN(C)c1nc2ccc(NC(=O)COc3cccc(Br)c3)cc2[nH]1 ZINC000548719389 567345685 /nfs/dbraw/zinc/34/56/85/567345685.db2.gz SOPOMXAJEKYZAE-UHFFFAOYSA-N 0 1 389.253 3.409 20 0 GGADMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000592552600 567345825 /nfs/dbraw/zinc/34/58/25/567345825.db2.gz ZVFOQDCHNZWQKI-AWEZNQCLSA-N 0 1 378.881 3.046 20 0 GGADMN CCc1cccc(S(=O)(=O)Nc2ccc(I)cn2)c1 ZINC000435192732 567346105 /nfs/dbraw/zinc/34/61/05/567346105.db2.gz JOIIWNSKBXYJHD-UHFFFAOYSA-N 0 1 388.230 3.049 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)Cc2cnc[nH]2)C1=O ZINC000661090525 567346215 /nfs/dbraw/zinc/34/62/15/567346215.db2.gz QNKYWJKYOILDPX-INIZCTEOSA-N 0 1 391.313 3.416 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)c(Cl)c1 ZINC000568686716 567347579 /nfs/dbraw/zinc/34/75/79/567347579.db2.gz BYNRABZWQXANND-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN CC(C)(C)n1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1 ZINC000476760152 567347834 /nfs/dbraw/zinc/34/78/34/567347834.db2.gz NQYXSAHVDJMLQJ-UHFFFAOYSA-N 0 1 377.388 3.380 20 0 GGADMN Cc1nc(CCC(=O)NCCN2CCC2)oc1-c1ccc(Br)cc1 ZINC000500824278 567348394 /nfs/dbraw/zinc/34/83/94/567348394.db2.gz MVXKYJWYAIIPIH-UHFFFAOYSA-N 0 1 392.297 3.167 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)c[nH]1 ZINC000500855778 567349135 /nfs/dbraw/zinc/34/91/35/567349135.db2.gz NSCIFCCSLVUWBZ-UHFFFAOYSA-N 0 1 381.307 3.264 20 0 GGADMN C[C@@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@@H]1CCO ZINC000618006723 567351106 /nfs/dbraw/zinc/35/11/06/567351106.db2.gz 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CC[NH2+]CCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000568864822 567362853 /nfs/dbraw/zinc/36/28/53/567362853.db2.gz PXXZDLLGCPUENW-UHFFFAOYSA-N 0 1 390.130 3.034 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000476990731 567363095 /nfs/dbraw/zinc/36/30/95/567363095.db2.gz MMHOICIJJXAPDS-KRWDZBQOSA-N 0 1 387.307 3.004 20 0 GGADMN Cc1cc(N2CCC(NCc3ncc(Cl)cc3Br)CC2)n[nH]1 ZINC000527698115 567363278 /nfs/dbraw/zinc/36/32/78/567363278.db2.gz XQBYHRBNNPRKRY-UHFFFAOYSA-N 0 1 384.709 3.288 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000456344690 567363499 /nfs/dbraw/zinc/36/34/99/567363499.db2.gz HLTQTYCIOYCFCM-CHWSQXEVSA-N 0 1 386.323 3.054 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CSCc2cscn2)C1 ZINC000456341199 567363758 /nfs/dbraw/zinc/36/37/58/567363758.db2.gz PRBQFYYVDQBPAF-MRXNPFEDSA-N 0 1 375.563 3.357 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000456344691 567363819 /nfs/dbraw/zinc/36/38/19/567363819.db2.gz 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C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cccn1C ZINC000456371973 567366760 /nfs/dbraw/zinc/36/67/60/567366760.db2.gz NRVHUCREYPWQFI-CYBMUJFWSA-N 0 1 391.313 3.180 20 0 GGADMN CC(=O)CCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456368044 567366786 /nfs/dbraw/zinc/36/67/86/567366786.db2.gz LEUWRTWRNUUZRL-CYBMUJFWSA-N 0 1 396.329 3.287 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CC1(F)F ZINC000456371837 567367052 /nfs/dbraw/zinc/36/70/52/567367052.db2.gz NGPQAYJWOVMBNM-PWSUYJOCSA-N 0 1 388.256 3.183 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)O1 ZINC000456370957 567367414 /nfs/dbraw/zinc/36/74/14/567367414.db2.gz MXLJWYIDATXKMX-PBFPGSCMSA-N 0 1 396.329 3.095 20 0 GGADMN CO[C@H](C)CCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456373968 567367601 /nfs/dbraw/zinc/36/76/01/567367601.db2.gz PMTWUAIDOOUCNC-UONOGXRCSA-N 0 1 398.345 3.343 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)cc1Cl ZINC000435439813 567367822 /nfs/dbraw/zinc/36/78/22/567367822.db2.gz 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ZINC000592862786 567370134 /nfs/dbraw/zinc/37/01/34/567370134.db2.gz XULKQTPXQQRODT-UHFFFAOYSA-N 0 1 380.238 3.144 20 0 GGADMN COc1cccc2c1OCC[C@H]2NC(=O)c1cccc(Br)c1O ZINC000592863803 567370202 /nfs/dbraw/zinc/37/02/02/567370202.db2.gz XZHGCGVQIXYSIX-CYBMUJFWSA-N 0 1 378.222 3.417 20 0 GGADMN C[C@](O)(CNCc1cc(Cl)cc(I)c1)C(F)(F)F ZINC000568975390 567370511 /nfs/dbraw/zinc/37/05/11/567370511.db2.gz DTHBCGGNRVFCEP-JTQLQIEISA-N 0 1 393.574 3.348 20 0 GGADMN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N1CCc2[nH]nnc2C1 ZINC000435460692 567371031 /nfs/dbraw/zinc/37/10/31/567371031.db2.gz SOWUIAKRFYSKJD-UHFFFAOYSA-N 0 1 378.219 3.273 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cccc(Br)c1O ZINC000592879898 567371517 /nfs/dbraw/zinc/37/15/17/567371517.db2.gz IWMFEHQSJJIUBY-NSHDSACASA-N 0 1 397.219 3.442 20 0 GGADMN O=C(NCc1cc(Cl)cc(Cl)c1)N1CCC(CN2CCOCC2)CC1 ZINC000661392636 567371381 /nfs/dbraw/zinc/37/13/81/567371381.db2.gz WMSVMRDQSZDOFG-UHFFFAOYSA-N 0 1 386.323 3.247 20 0 GGADMN CSC[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501210719 567371948 /nfs/dbraw/zinc/37/19/48/567371948.db2.gz SYRDJGKUANHKKH-LBPRGKRZSA-N 0 1 386.359 3.139 20 0 GGADMN CC[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)O1 ZINC000501216132 567372392 /nfs/dbraw/zinc/37/23/92/567372392.db2.gz GBZFFRXZPDFHDD-WMLDXEAASA-N 0 1 396.329 3.097 20 0 GGADMN O=S(=O)(Nc1ccc(OCCO)cc1)c1c(Cl)cc(F)cc1Cl ZINC000435489598 567372450 /nfs/dbraw/zinc/37/24/50/567372450.db2.gz CCLXPIWWLBTGCO-UHFFFAOYSA-N 0 1 380.224 3.304 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000501215579 567372506 /nfs/dbraw/zinc/37/25/06/567372506.db2.gz CZJVENJZQMWGIO-LSDHHAIUSA-N 0 1 378.314 3.186 20 0 GGADMN CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)[C@H](C(=O)[O-])C1 ZINC000569003369 567372462 /nfs/dbraw/zinc/37/24/62/567372462.db2.gz NCHKKTAJTDZCNT-PWSUYJOCSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)[C@H](C(=O)[O-])C1 ZINC000569003369 567372468 /nfs/dbraw/zinc/37/24/68/567372468.db2.gz NCHKKTAJTDZCNT-PWSUYJOCSA-N 0 1 394.212 3.115 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CCC(F)(F)F)CC1 ZINC000501220202 567373719 /nfs/dbraw/zinc/37/37/19/567373719.db2.gz YNJWXJXZTOAZDO-UHFFFAOYSA-N 0 1 394.235 3.482 20 0 GGADMN CCCCCOCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501217418 567374179 /nfs/dbraw/zinc/37/41/79/567374179.db2.gz LOJYLMPDYZNHPL-UHFFFAOYSA-N 0 1 398.345 3.346 20 0 GGADMN C[C@H](CO)[C@H]1CCCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000661436602 567374173 /nfs/dbraw/zinc/37/41/73/567374173.db2.gz VKGCMABMMYCGJB-BXUZGUMPSA-N 0 1 376.831 3.363 20 0 GGADMN C[C@@H](CO)[C@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000661436998 567374325 /nfs/dbraw/zinc/37/43/25/567374325.db2.gz XSZOETKOYKZXSA-SWLSCSKDSA-N 0 1 380.286 3.482 20 0 GGADMN CN(C(=O)c1csc(=NC2CC2)[nH]1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618342344 567374585 /nfs/dbraw/zinc/37/45/85/567374585.db2.gz XYGVESNSNYMLJC-CYBMUJFWSA-N 0 1 386.304 3.252 20 0 GGADMN C[C@@H](CO)[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000661436999 567374659 /nfs/dbraw/zinc/37/46/59/567374659.db2.gz XSZOETKOYKZXSA-WFASDCNBSA-N 0 1 380.286 3.482 20 0 GGADMN O=c1cc(CN2CCCc3sccc3C2)nc2ccc(Br)cn12 ZINC000592983241 567375933 /nfs/dbraw/zinc/37/59/33/567375933.db2.gz MKCGETCGPZDNAM-UHFFFAOYSA-N 0 1 390.306 3.467 20 0 GGADMN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cccc2nc[nH]c21 ZINC000477156184 567376346 /nfs/dbraw/zinc/37/63/46/567376346.db2.gz KARRLTLHAULKEA-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1cccc2cccc(Br)c21 ZINC000501278653 567376512 /nfs/dbraw/zinc/37/65/12/567376512.db2.gz ZLIGTILMXXSBPL-UHFFFAOYSA-N 0 1 393.266 3.057 20 0 GGADMN C[C@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)[C@H]1CCO ZINC000661487921 567377690 /nfs/dbraw/zinc/37/76/90/567377690.db2.gz IHKUBDWZVVIGSL-WFASDCNBSA-N 0 1 380.286 3.482 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cccc(Br)c1O ZINC000569076375 567377752 /nfs/dbraw/zinc/37/77/52/567377752.db2.gz TVBABPLMHWVACM-IUODEOHRSA-N 0 1 377.238 3.200 20 0 GGADMN C[C@@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)[C@@H]1CCO ZINC000661487917 567377906 /nfs/dbraw/zinc/37/79/06/567377906.db2.gz IHKUBDWZVVIGSL-IUODEOHRSA-N 0 1 380.286 3.482 20 0 GGADMN COCc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2O)cc1 ZINC000477187966 567379417 /nfs/dbraw/zinc/37/94/17/567379417.db2.gz NTBBFOXNFRKTKN-UHFFFAOYSA-N 0 1 386.267 3.410 20 0 GGADMN CCO[C@@H]1COCC[C@@H]1NCc1cc(Cl)ccc1I ZINC000593025170 567379534 /nfs/dbraw/zinc/37/95/34/567379534.db2.gz MMLAQZWERPJHAB-UONOGXRCSA-N 0 1 395.668 3.228 20 0 GGADMN O=S(=O)(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1c(F)cc(F)cc1F ZINC000435605449 567380117 /nfs/dbraw/zinc/38/01/17/567380117.db2.gz IBRDOORCXBFIQX-ISVAXAHUSA-N 0 1 381.297 3.356 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)c(F)c1F ZINC000435643452 567381308 /nfs/dbraw/zinc/38/13/08/567381308.db2.gz CBQIWSVXFZRLDN-CYBMUJFWSA-N 0 1 376.444 3.179 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)c(F)c1F ZINC000435643452 567381312 /nfs/dbraw/zinc/38/13/12/567381312.db2.gz CBQIWSVXFZRLDN-CYBMUJFWSA-N 0 1 376.444 3.179 20 0 GGADMN CS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1Cl ZINC000477221194 567381419 /nfs/dbraw/zinc/38/14/19/567381419.db2.gz JYKSIPOVQRUMMB-UHFFFAOYSA-N 0 1 375.837 3.386 20 0 GGADMN Cc1ccc(I)cc1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000477234838 567381818 /nfs/dbraw/zinc/38/18/18/567381818.db2.gz TZXILQHGVZMVGH-HNNXBMFYSA-N 0 1 386.277 3.012 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000477232761 567381799 /nfs/dbraw/zinc/38/17/99/567381799.db2.gz JUAYKKDGECOUSN-NXEZZACHSA-N 0 1 383.315 3.488 20 0 GGADMN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527894069 567381901 /nfs/dbraw/zinc/38/19/01/567381901.db2.gz SPRDSXGEOBMOHL-CHWSQXEVSA-N 0 1 390.316 3.404 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@H]2N1 ZINC000661601634 567382047 /nfs/dbraw/zinc/38/20/47/567382047.db2.gz RGQPGIMNLIFKJB-UKRRQHHQSA-N 0 1 390.281 3.205 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)c(F)c1F ZINC000435643454 567382081 /nfs/dbraw/zinc/38/20/81/567382081.db2.gz CBQIWSVXFZRLDN-ZDUSSCGKSA-N 0 1 376.444 3.179 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)c(F)c1F ZINC000435643454 567382084 /nfs/dbraw/zinc/38/20/84/567382084.db2.gz CBQIWSVXFZRLDN-ZDUSSCGKSA-N 0 1 376.444 3.179 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527894074 567382050 /nfs/dbraw/zinc/38/20/50/567382050.db2.gz SPRDSXGEOBMOHL-QWHCGFSZSA-N 0 1 390.316 3.404 20 0 GGADMN O=S(=O)(CCO)c1ccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527891027 567382104 /nfs/dbraw/zinc/38/21/04/567382104.db2.gz DWBDQDSHCYGHGP-SFHVURJKSA-N 0 1 383.872 3.022 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000569156039 567382140 /nfs/dbraw/zinc/38/21/40/567382140.db2.gz PGDMJXGITXLKFE-CQSZACIVSA-N 0 1 397.313 3.101 20 0 GGADMN O=C1CC[C@H]2CN(Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@H]2N1 ZINC000661601622 567382221 /nfs/dbraw/zinc/38/22/21/567382221.db2.gz RGQPGIMNLIFKJB-DZGCQCFKSA-N 0 1 390.281 3.205 20 0 GGADMN O=C1CC[C@@H]2CN(CCOc3ccc(Cl)cc3Br)CC[C@H]2N1 ZINC000661605107 567382422 /nfs/dbraw/zinc/38/24/22/567382422.db2.gz QQVGJCZGRXQLQK-BXUZGUMPSA-N 0 1 387.705 3.082 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3ncc(-c4ccccc4Br)o3)CC[C@H]2N1 ZINC000661601728 567382478 /nfs/dbraw/zinc/38/24/78/567382478.db2.gz RNNVSEYDODSQSG-IUODEOHRSA-N 0 1 390.281 3.205 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)n[nH]1 ZINC000477245695 567382982 /nfs/dbraw/zinc/38/29/82/567382982.db2.gz VWXWZIOELCWJJZ-JTQLQIEISA-N 0 1 390.285 3.339 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@@H]2N1 ZINC000661601628 567382853 /nfs/dbraw/zinc/38/28/53/567382853.db2.gz RGQPGIMNLIFKJB-HIFRSBDPSA-N 0 1 390.281 3.205 20 0 GGADMN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1cc(F)c(Br)cc1F ZINC000527897378 567383807 /nfs/dbraw/zinc/38/38/07/567383807.db2.gz HBDSSKXHDFIGAQ-VHSXEESVSA-N 0 1 382.270 3.203 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(CN(C)C)ccn1)c1ccc(Br)cn1 ZINC000640569866 567385060 /nfs/dbraw/zinc/38/50/60/567385060.db2.gz XGYZDEOQEHKTCN-LLVKDONJSA-N 0 1 378.274 3.183 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000618373456 567385585 /nfs/dbraw/zinc/38/55/85/567385585.db2.gz WEGOMYOBDCRQEO-MRXNPFEDSA-N 0 1 381.314 3.084 20 0 GGADMN COc1cc([C@H](C)NCCCS(=O)(=O)c2ccc(Cl)cc2)c(F)cn1 ZINC000569206090 567386655 /nfs/dbraw/zinc/38/66/55/567386655.db2.gz CCUVEAMDFCNKAJ-LBPRGKRZSA-N 0 1 386.876 3.397 20 0 GGADMN O=C(Cc1c(Cl)cccc1Cl)N1CCC(n2ncc3c2CNC3)CC1 ZINC000569228206 567387950 /nfs/dbraw/zinc/38/79/50/567387950.db2.gz BSACAHVBQCFHRL-UHFFFAOYSA-N 0 1 379.291 3.199 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Br)cc(OC(C)C)c2)n[nH]1 ZINC000477322442 567388099 /nfs/dbraw/zinc/38/80/99/567388099.db2.gz NFVLHKUQLUIAEY-SNVBAGLBSA-N 0 1 381.274 3.408 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(I)c2)n[nH]1 ZINC000477311820 567388120 /nfs/dbraw/zinc/38/81/20/567388120.db2.gz UTOMEUIGGMUTTO-SECBINFHSA-N 0 1 384.221 3.024 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000456525502 567388265 /nfs/dbraw/zinc/38/82/65/567388265.db2.gz HEQHQCZHGXLAKF-CQSZACIVSA-N 0 1 391.313 3.191 20 0 GGADMN O=S(=O)(CCN[C@H]1CCCc2occc21)c1cccc(Br)c1 ZINC000569214664 567388231 /nfs/dbraw/zinc/38/82/31/567388231.db2.gz XSLKMZZMZDNCGV-HNNXBMFYSA-N 0 1 384.295 3.483 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2csc(I)c2)n[nH]1 ZINC000477322414 567388583 /nfs/dbraw/zinc/38/85/83/567388583.db2.gz NCWRATPNLPODLW-ZETCQYMHSA-N 0 1 390.250 3.085 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000456525767 567388667 /nfs/dbraw/zinc/38/86/67/567388667.db2.gz QZPCCHAMNLWZBA-GFCCVEGCSA-N 0 1 385.302 3.023 20 0 GGADMN COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2Br)C[C@H]1C1CC1 ZINC000593129009 567388910 /nfs/dbraw/zinc/38/89/10/567388910.db2.gz NUPLFJIDVNHEDX-UONOGXRCSA-N 0 1 398.297 3.097 20 0 GGADMN O=C(c1cc(C(F)F)[nH]n1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000640703997 567389109 /nfs/dbraw/zinc/38/91/09/567389109.db2.gz DAFKOKDKIVHUMR-CYBMUJFWSA-N 0 1 386.196 3.324 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1I ZINC000477337845 567389806 /nfs/dbraw/zinc/38/98/06/567389806.db2.gz LMLGWALTMSJHAJ-JTQLQIEISA-N 0 1 398.248 3.332 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000569269197 567390665 /nfs/dbraw/zinc/39/06/65/567390665.db2.gz SIVTWDNCKVBMBU-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000456561163 567390652 /nfs/dbraw/zinc/39/06/52/567390652.db2.gz ULQCWGLBOLCNIR-WBMJQRKESA-N 0 1 381.929 3.086 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000456557150 567390822 /nfs/dbraw/zinc/39/08/22/567390822.db2.gz QLLNSJGAXOZTDI-STQMWFEESA-N 0 1 386.323 3.054 20 0 GGADMN Cc1nc2cccc(C(=O)NCC(=O)Nc3ccc(Br)cc3)c2[nH]1 ZINC000549415705 567390844 /nfs/dbraw/zinc/39/08/44/567390844.db2.gz NPNVPBCLGBQHEC-UHFFFAOYSA-N 0 1 387.237 3.002 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000456553048 567391146 /nfs/dbraw/zinc/39/11/46/567391146.db2.gz NEWKCUUOHASYII-CQSZACIVSA-N 0 1 391.313 3.191 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1 ZINC000569284146 567392292 /nfs/dbraw/zinc/39/22/92/567392292.db2.gz XZFZKTQDOANXDK-UHFFFAOYSA-N 0 1 391.873 3.464 20 0 GGADMN COCC1(CCNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000549466417 567392869 /nfs/dbraw/zinc/39/28/69/567392869.db2.gz HVJNKTXTUHHPLQ-UHFFFAOYSA-N 0 1 398.269 3.212 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000435889049 567394044 /nfs/dbraw/zinc/39/40/44/567394044.db2.gz QSWLERHLOCDKRQ-JQWIXIFHSA-N 0 1 379.302 3.477 20 0 GGADMN O=C(NCCN1CCC(O)CC1)c1ccccc1SCc1cccs1 ZINC000456590714 567394692 /nfs/dbraw/zinc/39/46/92/567394692.db2.gz TYNPFQDZTICUQK-UHFFFAOYSA-N 0 1 376.547 3.227 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3cc[nH]c(=O)c3Br)c2C)o1 ZINC000569312478 567394966 /nfs/dbraw/zinc/39/49/66/567394966.db2.gz MTWXTRWRIRIQRR-UHFFFAOYSA-N 0 1 391.225 3.331 20 0 GGADMN COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000569310275 567395276 /nfs/dbraw/zinc/39/52/76/567395276.db2.gz WZQZYPSTTGGBGN-UHFFFAOYSA-N 0 1 390.795 3.386 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)Nc2nc3cc(Br)ccn3n2)o1 ZINC000661805525 567395854 /nfs/dbraw/zinc/39/58/54/567395854.db2.gz QPXPMQHVUMYSHI-UHFFFAOYSA-N 0 1 392.257 3.179 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000501558217 567396839 /nfs/dbraw/zinc/39/68/39/567396839.db2.gz SRSAXQVYNKHKRK-RBZYPMLTSA-N 0 1 396.289 3.012 20 0 GGADMN CN[C@@H](C)c1cn([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640818410 567397388 /nfs/dbraw/zinc/39/73/88/567397388.db2.gz BZGAITAORGEWLV-IUCAKERBSA-N 0 1 375.782 3.430 20 0 GGADMN CNC(C)(C)c1cn([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640839483 567398670 /nfs/dbraw/zinc/39/86/70/567398670.db2.gz VYGGOJIKXYJEMW-QWRGUYRKSA-N 0 1 384.311 3.478 20 0 GGADMN CNC(C)(C)c1cn([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640839484 567398794 /nfs/dbraw/zinc/39/87/94/567398794.db2.gz VYGGOJIKXYJEMW-WDEREUQCSA-N 0 1 384.311 3.478 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000593215924 567398979 /nfs/dbraw/zinc/39/89/79/567398979.db2.gz QUZVJBLEHFCVNQ-BVGQSLNGSA-N 0 1 385.335 3.230 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000477500704 567399111 /nfs/dbraw/zinc/39/91/11/567399111.db2.gz GIBMUTWUXRWWGV-ZDUSSCGKSA-N 0 1 389.721 3.189 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCc1cccs1 ZINC000477506068 567399550 /nfs/dbraw/zinc/39/95/50/567399550.db2.gz GNULCDNVGZHQOF-UHFFFAOYSA-N 0 1 386.970 3.338 20 0 GGADMN CNC(C)(C)c1cn([C@H](C)C(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640889011 567400311 /nfs/dbraw/zinc/40/03/11/567400311.db2.gz WYGFHFHKAHBDST-LLVKDONJSA-N 0 1 380.290 3.003 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[nH]1 ZINC000436008161 567400665 /nfs/dbraw/zinc/40/06/65/567400665.db2.gz SXSNYCRPSOEVRL-XYPYZODXSA-N 0 1 399.289 3.169 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000436008161 567400666 /nfs/dbraw/zinc/40/06/66/567400666.db2.gz SXSNYCRPSOEVRL-XYPYZODXSA-N 0 1 399.289 3.169 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3CCN(C)CC3(C)C)c2c1C ZINC000501649629 567401195 /nfs/dbraw/zinc/40/11/95/567401195.db2.gz XQCKBPUPAGYDDZ-UHFFFAOYSA-N 0 1 378.567 3.343 20 0 GGADMN CC(C)CCOCCNC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000477533546 567401368 /nfs/dbraw/zinc/40/13/68/567401368.db2.gz BMZQDCKNKSJAMK-UHFFFAOYSA-N 0 1 383.330 3.207 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000436011694 567401401 /nfs/dbraw/zinc/40/14/01/567401401.db2.gz DSQPCQNDNSDESZ-UHFFFAOYSA-N 0 1 392.531 3.489 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CCOc2cccc(Br)c2)n[nH]1 ZINC000477541954 567401669 /nfs/dbraw/zinc/40/16/69/567401669.db2.gz NEVLGLYHZISZBO-NSHDSACASA-N 0 1 381.274 3.337 20 0 GGADMN COC(=O)[C@H](C)CN(CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000436023442 567402272 /nfs/dbraw/zinc/40/22/72/567402272.db2.gz BAQNGJFWYAPLQO-VXGBXAGGSA-N 0 1 387.307 3.444 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1c(Cl)cccc1Cl ZINC000436025565 567402349 /nfs/dbraw/zinc/40/23/49/567402349.db2.gz IALLXIJYZHYTDI-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN C[C@@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CCN1CC(C)(C)O ZINC000436035269 567402472 /nfs/dbraw/zinc/40/24/72/567402472.db2.gz GAPWFZLJHZYWCN-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN O=C(NCCN1CCC1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000569418635 567402721 /nfs/dbraw/zinc/40/27/21/567402721.db2.gz NOWSVJPQNKEMEY-INIZCTEOSA-N 0 1 391.313 3.313 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000569429292 567403325 /nfs/dbraw/zinc/40/33/25/567403325.db2.gz QDPUVDWEZPYJPG-OAHLLOKOSA-N 0 1 382.961 3.451 20 0 GGADMN C[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)N(C)Cc1ccccc1 ZINC000477594865 567403884 /nfs/dbraw/zinc/40/38/84/567403884.db2.gz VZWMFZONXNDGMP-CQSZACIVSA-N 0 1 384.904 3.419 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)N(C)Cc1ccccc1 ZINC000477594863 567403907 /nfs/dbraw/zinc/40/39/07/567403907.db2.gz VZWMFZONXNDGMP-AWEZNQCLSA-N 0 1 384.904 3.419 20 0 GGADMN N[C@@H](c1cn(Cc2csc(-c3ccc(Cl)cc3)n2)nn1)[C@@H]1CCCO1 ZINC000640951886 567404881 /nfs/dbraw/zinc/40/48/81/567404881.db2.gz DWXIOXAUXRPYLT-HOTGVXAUSA-N 0 1 375.885 3.282 20 0 GGADMN CC(=O)c1ccc(OC[C@@H](O)CNCc2cccc(C)c2Br)cc1 ZINC000569449397 567405617 /nfs/dbraw/zinc/40/56/17/567405617.db2.gz LIFKUFULLNNNPG-KRWDZBQOSA-N 0 1 392.293 3.490 20 0 GGADMN CCNCc1cn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640997016 567406701 /nfs/dbraw/zinc/40/67/01/567406701.db2.gz DGJXFSQRTLIXGE-INIZCTEOSA-N 0 1 382.295 3.058 20 0 GGADMN O=C(COc1ccc2ccccc2c1Br)NCCN1CC=CCC1 ZINC000477622881 567407036 /nfs/dbraw/zinc/40/70/36/567407036.db2.gz SZUZIGLEODGGIR-UHFFFAOYSA-N 0 1 389.293 3.359 20 0 GGADMN Cc1cc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)n[nH]1 ZINC000549723733 567407079 /nfs/dbraw/zinc/40/70/79/567407079.db2.gz CIXXSZXJGMLCPN-UHFFFAOYSA-N 0 1 388.269 3.020 20 0 GGADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000528273651 567407155 /nfs/dbraw/zinc/40/71/55/567407155.db2.gz BCEKORHZAMJCCD-QISWUMQESA-N 0 1 379.258 3.232 20 0 GGADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000528273643 567407192 /nfs/dbraw/zinc/40/71/92/567407192.db2.gz BCEKORHZAMJCCD-BSTOTGJRSA-N 0 1 379.258 3.232 20 0 GGADMN O=C1CCCN1C[C@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000662054066 567407279 /nfs/dbraw/zinc/40/72/79/567407279.db2.gz LJKSKIRAKBQBTF-LBPRGKRZSA-N 0 1 378.270 3.035 20 0 GGADMN OC[C@@H](NC[C@H](O)COCc1cccs1)c1cccc(Cl)c1Cl ZINC000662055331 567407404 /nfs/dbraw/zinc/40/74/04/567407404.db2.gz MCIKBXHFUMXAKP-XHDPSFHLSA-N 0 1 376.305 3.256 20 0 GGADMN OC[C@H](NC[C@@H](O)COCc1cccs1)c1cccc(Cl)c1Cl ZINC000662055328 567408003 /nfs/dbraw/zinc/40/80/03/567408003.db2.gz MCIKBXHFUMXAKP-ABAIWWIYSA-N 0 1 376.305 3.256 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@H](Cc1ccc(Cl)cc1F)C(C)=O ZINC000436127184 567408156 /nfs/dbraw/zinc/40/81/56/567408156.db2.gz FOYIHGIUSJNODV-CQSZACIVSA-N 0 1 387.864 3.105 20 0 GGADMN O=C1CCCN1C[C@@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000662054065 567408371 /nfs/dbraw/zinc/40/83/71/567408371.db2.gz LJKSKIRAKBQBTF-GFCCVEGCSA-N 0 1 378.270 3.035 20 0 GGADMN CNC(C)(C)c1cn(Cc2ncc(-c3cccc(Br)c3)o2)nn1 ZINC000641072078 567410555 /nfs/dbraw/zinc/41/05/55/567410555.db2.gz DEOFOHIZDYRCMZ-UHFFFAOYSA-N 0 1 376.258 3.198 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNCc2cc(F)ccc2Br)c1 ZINC000549806111 567411720 /nfs/dbraw/zinc/41/17/20/567411720.db2.gz QFWIPDJASWDTNU-INIZCTEOSA-N 0 1 396.256 3.320 20 0 GGADMN N[C@H](c1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1)[C@H]1CCCO1 ZINC000641113375 567412224 /nfs/dbraw/zinc/41/22/24/567412224.db2.gz CJUJPXLZZWQTAE-NVXWUHKLSA-N 0 1 375.885 3.282 20 0 GGADMN COc1cccc(C2(NCc3cc(Cl)cc(S(N)(=O)=O)c3)CCC2)c1 ZINC000662111951 567412266 /nfs/dbraw/zinc/41/22/66/567412266.db2.gz YIDIYCORHGQDMO-UHFFFAOYSA-N 0 1 380.897 3.165 20 0 GGADMN CSCc1cnc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)s1 ZINC000549817450 567413074 /nfs/dbraw/zinc/41/30/74/567413074.db2.gz DBPBYOSESFTBHH-LLVKDONJSA-N 0 1 376.469 3.364 20 0 GGADMN O=C(c1cc(Cl)ccc1Br)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000549846369 567413750 /nfs/dbraw/zinc/41/37/50/567413750.db2.gz GILQHZJEVKPMQT-UHFFFAOYSA-N 0 1 386.633 3.211 20 0 GGADMN Cc1cc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1Br ZINC000501951192 567414021 /nfs/dbraw/zinc/41/40/21/567414021.db2.gz WZISBXGJOPXSIB-LBPRGKRZSA-N 0 1 379.220 3.258 20 0 GGADMN CNC(C)(C)c1cn(Cc2cccc(Br)c2OC(F)F)nn1 ZINC000641123932 567414284 /nfs/dbraw/zinc/41/42/84/567414284.db2.gz ZWHFYYGMWPPFBK-UHFFFAOYSA-N 0 1 375.217 3.145 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cn(CCc3c(Cl)cccc3Cl)nn2)CC1 ZINC000641123383 567414343 /nfs/dbraw/zinc/41/43/43/567414343.db2.gz JWFHVJCHRIMEMZ-UHFFFAOYSA-N 0 1 383.279 3.124 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000436210729 567414748 /nfs/dbraw/zinc/41/47/48/567414748.db2.gz OPDAEOFZLABNIZ-MGCOHNPYSA-N 0 1 380.242 3.243 20 0 GGADMN C[C@@H](c1cc(Cl)ccc1Cl)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000641132295 567415649 /nfs/dbraw/zinc/41/56/49/567415649.db2.gz IANSXJPUXYTIFN-NSHDSACASA-N 0 1 383.279 3.491 20 0 GGADMN C[C@@H]1CC(N=c2nc[nH]c3cc(I)sc32)C[C@@H](C)O1 ZINC000593471090 567416516 /nfs/dbraw/zinc/41/65/16/567416516.db2.gz XUUZPKIEWPCRIR-HTQZYQBOSA-N 0 1 389.262 3.086 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CNCc2cccc(Cl)c2Cl)cc1 ZINC000569594474 567417120 /nfs/dbraw/zinc/41/71/20/567417120.db2.gz BWRFNAJQVDEKES-HNNXBMFYSA-N 0 1 383.275 3.481 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)NCCc1cccc(Cl)c1Cl ZINC000662224666 567417134 /nfs/dbraw/zinc/41/71/34/567417134.db2.gz XPMKQCNESQYSRK-UHFFFAOYSA-N 0 1 375.296 3.085 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)NCCc1cccc(Cl)c1Cl ZINC000662224666 567417137 /nfs/dbraw/zinc/41/71/37/567417137.db2.gz XPMKQCNESQYSRK-UHFFFAOYSA-N 0 1 375.296 3.085 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CNCc2cccc(Cl)c2Cl)cc1 ZINC000569594475 567417212 /nfs/dbraw/zinc/41/72/12/567417212.db2.gz BWRFNAJQVDEKES-OAHLLOKOSA-N 0 1 383.275 3.481 20 0 GGADMN C[C@@H]1[C@@H](C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H]1C1CC1 ZINC000528368310 567417287 /nfs/dbraw/zinc/41/72/87/567417287.db2.gz WOXFQFITDFHEPU-ULKVUYOBSA-N 0 1 375.270 3.143 20 0 GGADMN C[C@@H]1[C@@H](C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H]1C1CC1 ZINC000528368310 567417291 /nfs/dbraw/zinc/41/72/91/567417291.db2.gz WOXFQFITDFHEPU-ULKVUYOBSA-N 0 1 375.270 3.143 20 0 GGADMN Cc1cc(Br)c(Cn2cc([C@H](N)[C@H]3CCCO3)nn2)cc1Cl ZINC000641170847 567417905 /nfs/dbraw/zinc/41/79/05/567417905.db2.gz IVPVKUBGSWBQDF-CABCVRRESA-N 0 1 385.693 3.230 20 0 GGADMN CC(C)(C)C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)[O-] ZINC000662227680 567418829 /nfs/dbraw/zinc/41/88/29/567418829.db2.gz PCCRQORWCXCEMB-UHFFFAOYSA-N 0 1 389.265 3.350 20 0 GGADMN C[C@H](c1ncc(Br)cn1)n1cc(CN(C)C2CCCCC2)nn1 ZINC000641179041 567419001 /nfs/dbraw/zinc/41/90/01/567419001.db2.gz YKULQIJSJQYKPQ-GFCCVEGCSA-N 0 1 379.306 3.204 20 0 GGADMN OCC[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccccc1Br ZINC000549930835 567419304 /nfs/dbraw/zinc/41/93/04/567419304.db2.gz CWWXTYOATGSIOH-QAPCUYQASA-N 0 1 382.273 3.205 20 0 GGADMN CN(CCN1CCCC1)C(=O)c1scc(Br)c1Br ZINC000528413145 567419639 /nfs/dbraw/zinc/41/96/39/567419639.db2.gz GFTRKDXUCUOJSR-UHFFFAOYSA-N 0 1 396.148 3.441 20 0 GGADMN C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(Br)cn1 ZINC000569640489 567419808 /nfs/dbraw/zinc/41/98/08/567419808.db2.gz VHVOYEYLIKCLNX-UONOGXRCSA-N 0 1 391.313 3.315 20 0 GGADMN C[C@@H]1CSC[C@@H]1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000502180876 567422496 /nfs/dbraw/zinc/42/24/96/567422496.db2.gz XJZFOGFHRCQXIU-UGFHNGPFSA-N 0 1 375.460 3.359 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000456886604 567423564 /nfs/dbraw/zinc/42/35/64/567423564.db2.gz UQEJGRWAGMBRSN-UHFFFAOYSA-N 0 1 376.303 3.278 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCN(CC2CC2)CC1 ZINC000550036100 567424307 /nfs/dbraw/zinc/42/43/07/567424307.db2.gz ZLYTYCIXJFYFBH-ZDUSSCGKSA-N 0 1 398.320 3.256 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000456909900 567424963 /nfs/dbraw/zinc/42/49/63/567424963.db2.gz ZHTPNYXQMKJMRD-HNNXBMFYSA-N 0 1 396.373 3.085 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000456908938 567425238 /nfs/dbraw/zinc/42/52/38/567425238.db2.gz XSBAOWQWWLSOBP-HNNXBMFYSA-N 0 1 383.989 3.353 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000456897849 567425606 /nfs/dbraw/zinc/42/56/06/567425606.db2.gz KNOLLKSMOVSZMY-OAHLLOKOSA-N 0 1 383.989 3.353 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1Cl ZINC000436478464 567426482 /nfs/dbraw/zinc/42/64/82/567426482.db2.gz PFOQVUBWICITDW-UHFFFAOYSA-N 0 1 382.804 3.074 20 0 GGADMN O=S(=O)(Nc1cc(-c2nc[nH]n2)ccc1F)c1c(Cl)ccc(F)c1F ZINC000436476573 567426627 /nfs/dbraw/zinc/42/66/27/567426627.db2.gz JQCSPYCGNZWHQG-UHFFFAOYSA-N 0 1 388.758 3.343 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000569723736 567426776 /nfs/dbraw/zinc/42/67/76/567426776.db2.gz LYNHGVVJBHBZHK-TXEJJXNPSA-N 0 1 391.313 3.074 20 0 GGADMN COc1ccc([C@@H](NCc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000569728236 567427049 /nfs/dbraw/zinc/42/70/49/567427049.db2.gz WYJADMKJLDTEPQ-SFHVURJKSA-N 0 1 380.897 3.237 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)N2CCCC[C@@H]2C)c2cccs2)CC1 ZINC000502318144 567427891 /nfs/dbraw/zinc/42/78/91/567427891.db2.gz MMUDPCHODZLSQC-DLBZAZTESA-N 0 1 385.599 3.230 20 0 GGADMN Brc1ccc2ncnc(N3CCC[C@H](N4CCOCC4)CC3)c2c1 ZINC000569744390 567427837 /nfs/dbraw/zinc/42/78/37/567427837.db2.gz MXEKLHYBIQRJLJ-HNNXBMFYSA-N 0 1 391.313 3.083 20 0 GGADMN COC(=O)c1nc[nH]c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000550104904 567428379 /nfs/dbraw/zinc/42/83/79/567428379.db2.gz XKXVPPJXHDJSOB-UHFFFAOYSA-N 0 1 378.599 3.174 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000436485295 567428423 /nfs/dbraw/zinc/42/84/23/567428423.db2.gz ORKNFAQCWGSQEU-OAHLLOKOSA-N 0 1 379.302 3.271 20 0 GGADMN Brc1ccc(CN2CCC[C@@H](N3CCOCC3)C2)c2ncccc12 ZINC000569739805 567428602 /nfs/dbraw/zinc/42/86/02/567428602.db2.gz RTQZYCMWXQJXPQ-MRXNPFEDSA-N 0 1 390.325 3.294 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000436499402 567429558 /nfs/dbraw/zinc/42/95/58/567429558.db2.gz ZNXHTJANJDPHST-GFCCVEGCSA-N 0 1 381.881 3.238 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cc1OC ZINC000502411797 567432382 /nfs/dbraw/zinc/43/23/82/567432382.db2.gz CCTROKDLDIWDII-UHFFFAOYSA-N 0 1 376.356 3.227 20 0 GGADMN CCNC(=O)[C@@H](NCc1cccc(Br)c1OC(F)F)C(C)C ZINC000550178362 567432905 /nfs/dbraw/zinc/43/29/05/567432905.db2.gz GUYVQGZCZRCXFO-LBPRGKRZSA-N 0 1 379.245 3.301 20 0 GGADMN CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436542652 567433087 /nfs/dbraw/zinc/43/30/87/567433087.db2.gz IDSLFVJZFDYJFO-OAHLLOKOSA-N 0 1 378.881 3.192 20 0 GGADMN O=C(CNC(=O)c1c(O)cc(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000436536198 567433161 /nfs/dbraw/zinc/43/31/61/567433161.db2.gz PNGWGFHKHRYJTH-UHFFFAOYSA-N 0 1 379.243 3.014 20 0 GGADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457026920 567433226 /nfs/dbraw/zinc/43/32/26/567433226.db2.gz FYVFUEBKVULJSD-UHFFFAOYSA-N 0 1 376.258 3.410 20 0 GGADMN O=C(CSCC(F)(F)F)NCc1nc2cccc(Br)c2[nH]1 ZINC000457029271 567433394 /nfs/dbraw/zinc/43/33/94/567433394.db2.gz HASXVRCYSURDEM-UHFFFAOYSA-N 0 1 382.205 3.237 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000436538900 567433611 /nfs/dbraw/zinc/43/36/11/567433611.db2.gz MACYCBSREPEGQE-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436542648 567433621 /nfs/dbraw/zinc/43/36/21/567433621.db2.gz IDSLFVJZFDYJFO-HNNXBMFYSA-N 0 1 378.881 3.192 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436539856 567433710 /nfs/dbraw/zinc/43/37/10/567433710.db2.gz POUANMQIXWMJQG-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1ccc(F)cc1O ZINC000436537423 567433784 /nfs/dbraw/zinc/43/37/84/567433784.db2.gz GYCBVFPTDHCPMY-UHFFFAOYSA-N 0 1 395.228 3.361 20 0 GGADMN CC(C)(C)c1nnsc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457033302 567434196 /nfs/dbraw/zinc/43/41/96/567434196.db2.gz IWZBQHLUTOXOPD-UHFFFAOYSA-N 0 1 394.298 3.404 20 0 GGADMN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3O)n2)C[C@H](C)O1 ZINC000436551672 567434830 /nfs/dbraw/zinc/43/48/30/567434830.db2.gz QOPYECCIFBFZTO-PHIMTYICSA-N 0 1 381.885 3.364 20 0 GGADMN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436565517 567435010 /nfs/dbraw/zinc/43/50/10/567435010.db2.gz RNVKGNRFQSFSDW-UHFFFAOYSA-N 0 1 388.272 3.375 20 0 GGADMN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3O)n2)C[C@@H](C)O1 ZINC000436551671 567435069 /nfs/dbraw/zinc/43/50/69/567435069.db2.gz QOPYECCIFBFZTO-GHMZBOCLSA-N 0 1 381.885 3.364 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2O)cc1 ZINC000436555121 567435538 /nfs/dbraw/zinc/43/55/38/567435538.db2.gz JLSXBQSVNHEEPQ-UHFFFAOYSA-N 0 1 399.266 3.169 20 0 GGADMN CCOc1cc(CN2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)cc(Br)c1O ZINC000593696706 567435875 /nfs/dbraw/zinc/43/58/75/567435875.db2.gz LADNAPDJTXBRNU-UONOGXRCSA-N 0 1 398.297 3.184 20 0 GGADMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@@H+]1C ZINC000502455135 567435994 /nfs/dbraw/zinc/43/59/94/567435994.db2.gz BUUMYTJRAKMHMP-WPRPVWTQSA-N 0 1 399.713 3.003 20 0 GGADMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@H+]1C ZINC000502455135 567436001 /nfs/dbraw/zinc/43/60/01/567436001.db2.gz BUUMYTJRAKMHMP-WPRPVWTQSA-N 0 1 399.713 3.003 20 0 GGADMN CC(C)(C)c1nnc(C(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000457062230 567436493 /nfs/dbraw/zinc/43/64/93/567436493.db2.gz PTUUIEVJUFJFOV-UHFFFAOYSA-N 0 1 394.298 3.404 20 0 GGADMN COCC[C@H](NS(=O)(=O)CCN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000569826652 567436509 /nfs/dbraw/zinc/43/65/09/567436509.db2.gz HHVGQGQARJIOQU-INIZCTEOSA-N 0 1 395.352 3.086 20 0 GGADMN CN(C(=O)Cc1ccc(O)cc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000457063243 567436598 /nfs/dbraw/zinc/43/65/98/567436598.db2.gz FCXVQVFEBSBDEA-UHFFFAOYSA-N 0 1 378.822 3.463 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC(N(C)C)C1 ZINC000478106382 567436907 /nfs/dbraw/zinc/43/69/07/567436907.db2.gz AZYOMUVZJGVJNJ-UHFFFAOYSA-N 0 1 381.307 3.111 20 0 GGADMN CNS(=O)(=O)C1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000550263323 567437189 /nfs/dbraw/zinc/43/71/89/567437189.db2.gz YIZSVQRUTYNZPG-UHFFFAOYSA-N 0 1 397.338 3.116 20 0 GGADMN CN(C(=O)CSc1ccc(O)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000457084600 567437982 /nfs/dbraw/zinc/43/79/82/567437982.db2.gz LSSXMVXSSGTBIL-UHFFFAOYSA-N 0 1 376.444 3.360 20 0 GGADMN COC(=O)C1(NC(=O)c2cc(Cl)c3ccccc3c2O)CCSCC1 ZINC000436608374 567438049 /nfs/dbraw/zinc/43/80/49/567438049.db2.gz UCJKYALIFNFSHE-UHFFFAOYSA-N 0 1 379.865 3.367 20 0 GGADMN OC[C@H](CNCc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000550274841 567438353 /nfs/dbraw/zinc/43/83/53/567438353.db2.gz ATHHSWVCFQVNMK-HNNXBMFYSA-N 0 1 393.329 3.308 20 0 GGADMN NC(=O)C[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1 ZINC000550294691 567438391 /nfs/dbraw/zinc/43/83/91/567438391.db2.gz CVMUDZFKXAXPAT-SFHVURJKSA-N 0 1 399.292 3.341 20 0 GGADMN CN(C(=O)CSCc1ccccn1)C1CCN(CCC(F)(F)F)CC1 ZINC000457090822 567438494 /nfs/dbraw/zinc/43/84/94/567438494.db2.gz VNYWLBCDDKTTAM-UHFFFAOYSA-N 0 1 375.460 3.190 20 0 GGADMN COCCn1cc2c(n1)[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)CCC2 ZINC000436628385 567438775 /nfs/dbraw/zinc/43/87/75/567438775.db2.gz PYBJHTMJTVZNOX-ZDUSSCGKSA-N 0 1 384.263 3.349 20 0 GGADMN COCCC1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000528574841 567440228 /nfs/dbraw/zinc/44/02/28/567440228.db2.gz UCHQKBHLUMDZLR-UHFFFAOYSA-N 0 1 383.330 3.156 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(Br)c2)[C@H](C)C1 ZINC000528583320 567440578 /nfs/dbraw/zinc/44/05/78/567440578.db2.gz HCVGAWAJLDPQOI-CXAGYDPISA-N 0 1 399.329 3.022 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(Br)c(C)n(C)c2=O)c1 ZINC000436645384 567440553 /nfs/dbraw/zinc/44/05/53/567440553.db2.gz CVAVVLXQOPOVLP-UHFFFAOYSA-N 0 1 393.237 3.007 20 0 GGADMN Cc1ccc(SCCN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C ZINC000502530522 567440670 /nfs/dbraw/zinc/44/06/70/567440670.db2.gz QFCJDRMVWHNZDU-UHFFFAOYSA-N 0 1 382.595 3.286 20 0 GGADMN NC(=O)[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1cccc(Br)c1 ZINC000502538298 567440784 /nfs/dbraw/zinc/44/07/84/567440784.db2.gz BIISNBXFJCWADG-UPJWGTAASA-N 0 1 377.229 3.116 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(I)c[nH]2)c1 ZINC000436647160 567440884 /nfs/dbraw/zinc/44/08/84/567440884.db2.gz PUZNHDLPEUKZKE-UHFFFAOYSA-N 0 1 384.173 3.170 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)CCO1 ZINC000436643767 567441021 /nfs/dbraw/zinc/44/10/21/567441021.db2.gz YOCRPWWSYWBPJQ-SNVBAGLBSA-N 0 1 380.853 3.220 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)CCc1cc(Br)cs1 ZINC000457115736 567441261 /nfs/dbraw/zinc/44/12/61/567441261.db2.gz JEGVHHJOYZFMHG-UHFFFAOYSA-N 0 1 385.287 3.027 20 0 GGADMN OCCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(F)cc1 ZINC000502533847 567441370 /nfs/dbraw/zinc/44/13/70/567441370.db2.gz GDQCZZYTMNVOIW-OAHLLOKOSA-N 0 1 388.266 3.367 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000457114874 567441582 /nfs/dbraw/zinc/44/15/82/567441582.db2.gz IWKIWDJVZQDGTB-JTQLQIEISA-N 0 1 393.285 3.212 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000436669983 567441716 /nfs/dbraw/zinc/44/17/16/567441716.db2.gz CHNRNPBHXPELRH-HNNXBMFYSA-N 0 1 381.245 3.327 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000569902555 567441860 /nfs/dbraw/zinc/44/18/60/567441860.db2.gz CHSMCYNBUPJSOX-GFCCVEGCSA-N 0 1 398.301 3.102 20 0 GGADMN Cc1cc(C)c(C(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)cc1Br ZINC000457120503 567442640 /nfs/dbraw/zinc/44/26/40/567442640.db2.gz MFJXATDTTJHGKX-UHFFFAOYSA-N 0 1 379.258 3.264 20 0 GGADMN Cc1nccc(N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1Cl ZINC000478240570 567443377 /nfs/dbraw/zinc/44/33/77/567443377.db2.gz SVPCNDQLEULKSA-KRWDZBQOSA-N 0 1 379.291 3.045 20 0 GGADMN Brc1cccc(-c2noc(CN3CCN(C4CCC4)CC3)n2)c1 ZINC000502577875 567444106 /nfs/dbraw/zinc/44/41/06/567444106.db2.gz VBZJOBLGPXWKGL-UHFFFAOYSA-N 0 1 377.286 3.169 20 0 GGADMN Brc1ccc(Cc2nc(CN3CCN(C4CCC4)CC3)no2)cc1 ZINC000502569954 567444235 /nfs/dbraw/zinc/44/42/35/567444235.db2.gz NHOCXHIPXWPNDS-UHFFFAOYSA-N 0 1 391.313 3.093 20 0 GGADMN OC[C@@]1(NCc2cc(Br)cc(F)c2F)COc2ccccc2C1 ZINC000528642707 567444572 /nfs/dbraw/zinc/44/45/72/567444572.db2.gz CDIZWQNLGDFVGG-QGZVFWFLSA-N 0 1 384.220 3.183 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000569939966 567444820 /nfs/dbraw/zinc/44/48/20/567444820.db2.gz FDPHEPDKPSRURX-CYBMUJFWSA-N 0 1 378.270 3.322 20 0 GGADMN OC[C@]1(NCc2cc(Br)cc(F)c2F)COc2ccccc2C1 ZINC000528642706 567445190 /nfs/dbraw/zinc/44/51/90/567445190.db2.gz CDIZWQNLGDFVGG-KRWDZBQOSA-N 0 1 384.220 3.183 20 0 GGADMN COc1ccc(NC(=O)c2c(O)cccc2F)c(I)c1 ZINC000436716357 567445362 /nfs/dbraw/zinc/44/53/62/567445362.db2.gz TVGLHZREJRDWEQ-UHFFFAOYSA-N 0 1 387.148 3.397 20 0 GGADMN OC[C@@]1(NCc2cn3cc(Cl)cc(Cl)c3n2)COc2ccccc2C1 ZINC000528653085 567446443 /nfs/dbraw/zinc/44/64/43/567446443.db2.gz RYNLSMMEVNGGSP-GOSISDBHSA-N 0 1 378.259 3.097 20 0 GGADMN COC1CCN(C(C)(C)CNC(=O)c2ccc(Br)s2)CC1 ZINC000593919771 567446789 /nfs/dbraw/zinc/44/67/89/567446789.db2.gz BEVQMSPVPJELNS-UHFFFAOYSA-N 0 1 375.332 3.130 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000457173877 567446618 /nfs/dbraw/zinc/44/66/18/567446618.db2.gz RSCAILYYWSZZJY-UHFFFAOYSA-N 0 1 385.251 3.346 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)c2cc3c(s2)CCNC3)cc1Cl ZINC000662528464 567446898 /nfs/dbraw/zinc/44/68/98/567446898.db2.gz QQQFOJNAPQQJPU-UHFFFAOYSA-N 0 1 377.897 3.439 20 0 GGADMN CC(C)[C@]1(CO)CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000550433646 567447234 /nfs/dbraw/zinc/44/72/34/567447234.db2.gz OEEZRRPGOIRHDW-GOSISDBHSA-N 0 1 384.314 3.451 20 0 GGADMN CC(C)N(Cc1ccc(Cl)c(Cl)c1)CC1(O)CCS(=O)(=O)CC1 ZINC000502693420 567447240 /nfs/dbraw/zinc/44/72/40/567447240.db2.gz IUYWGAVGGJRJRI-UHFFFAOYSA-N 0 1 380.337 3.144 20 0 GGADMN Cc1cc(Br)c2ccccc2c1NC(=O)NC[C@@H]1COCCN1 ZINC000528683884 567447504 /nfs/dbraw/zinc/44/75/04/567447504.db2.gz RGADDFQJTXBUDQ-GFCCVEGCSA-N 0 1 378.270 3.021 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)N2CCNC[C@H]2C(C)C)cc1Cl ZINC000528684746 567447531 /nfs/dbraw/zinc/44/75/31/567447531.db2.gz IHUBNMXBMJZUJP-HNNXBMFYSA-N 0 1 390.311 3.480 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc2c(Br)ccnc12 ZINC000528692781 567447889 /nfs/dbraw/zinc/44/78/89/567447889.db2.gz HYPGPSZRNZATHC-HNNXBMFYSA-N 0 1 377.286 3.459 20 0 GGADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](C)O1 ZINC000436759150 567448890 /nfs/dbraw/zinc/44/88/90/567448890.db2.gz UAFCTEGNXCXYMQ-PHIMTYICSA-N 0 1 375.296 3.317 20 0 GGADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](C)O1 ZINC000436759150 567448893 /nfs/dbraw/zinc/44/88/93/567448893.db2.gz UAFCTEGNXCXYMQ-PHIMTYICSA-N 0 1 375.296 3.317 20 0 GGADMN COc1ccc(NC(=O)c2ccc(Br)cc2O)cc1NC(C)=O ZINC000436758767 567448967 /nfs/dbraw/zinc/44/89/67/567448967.db2.gz ORFYTANWCUCPTP-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN CC(C)(CO)[C@@H](NCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000550461295 567449669 /nfs/dbraw/zinc/44/96/69/567449669.db2.gz GZBOQKFDPFCMGQ-ZDUSSCGKSA-N 0 1 386.315 3.447 20 0 GGADMN Cc1cc(NS(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)nn1CC(F)(F)F ZINC000641690611 567449769 /nfs/dbraw/zinc/44/97/69/567449769.db2.gz MDEABLUAJCICMK-OLZOCXBDSA-N 0 1 377.363 3.191 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)c(F)c1 ZINC000641692978 567449848 /nfs/dbraw/zinc/44/98/48/567449848.db2.gz VSIAMASELIBFMS-UHFFFAOYSA-N 0 1 387.742 3.047 20 0 GGADMN CC(C)Oc1cncc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1 ZINC000641691352 567449979 /nfs/dbraw/zinc/44/99/79/567449979.db2.gz FENFVVGPQLZEOI-UHFFFAOYSA-N 0 1 398.794 3.082 20 0 GGADMN CCn1ncc(NS(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1C(F)(F)F ZINC000641685690 567450174 /nfs/dbraw/zinc/45/01/74/567450174.db2.gz IFHJWFAAVUBCJD-YPMHNXCESA-N 0 1 377.363 3.359 20 0 GGADMN COCc1ccccc1S(=O)(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000641691180 567450188 /nfs/dbraw/zinc/45/01/88/567450188.db2.gz AORKSPYWDMWTNE-UHFFFAOYSA-N 0 1 383.779 3.046 20 0 GGADMN CN1C[C@H](NC(=O)c2ccc(Br)cc2F)[C@@H](c2ccccc2)C1 ZINC000478372672 567450426 /nfs/dbraw/zinc/45/04/26/567450426.db2.gz PXNLZCXIQKVLJY-WBVHZDCISA-N 0 1 377.257 3.416 20 0 GGADMN Cc1cc(NS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)nn1CC(F)(F)F ZINC000641690613 567450415 /nfs/dbraw/zinc/45/04/15/567450415.db2.gz MDEABLUAJCICMK-STQMWFEESA-N 0 1 377.363 3.191 20 0 GGADMN CN1C[C@@H](NC(=O)c2ccc(F)cc2Br)[C@@H](c2ccccc2)C1 ZINC000478372719 567450802 /nfs/dbraw/zinc/45/08/02/567450802.db2.gz QFPINDWRWFUQBM-NVXWUHKLSA-N 0 1 377.257 3.416 20 0 GGADMN CN1C[C@@H](NC(=O)c2cc(Br)ccc2F)[C@@H](c2ccccc2)C1 ZINC000478373307 567450851 /nfs/dbraw/zinc/45/08/51/567450851.db2.gz RJKNFRSDXJRKJV-NVXWUHKLSA-N 0 1 377.257 3.416 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 ZINC000641692537 567450828 /nfs/dbraw/zinc/45/08/28/567450828.db2.gz ONDDMZOCLSZCIA-UHFFFAOYSA-N 0 1 380.491 3.389 20 0 GGADMN COc1ccc(F)cc1S(=O)(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000641693360 567451002 /nfs/dbraw/zinc/45/10/02/567451002.db2.gz XCZMSHVQPUARDK-UHFFFAOYSA-N 0 1 387.742 3.047 20 0 GGADMN COC(=O)c1nc[nH]c1NC(=O)CCCCc1ccc(Br)cc1 ZINC000594020556 567452277 /nfs/dbraw/zinc/45/22/77/567452277.db2.gz GJOSPLFONXMSDE-UHFFFAOYSA-N 0 1 380.242 3.310 20 0 GGADMN Cn1nc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc1OC(F)F ZINC000436787083 567452544 /nfs/dbraw/zinc/45/25/44/567452544.db2.gz MLEJBTXUHYVOGV-UHFFFAOYSA-N 0 1 396.575 3.395 20 0 GGADMN C[C@]1(CO)CN(Cc2cccc3c(Br)cccc23)C[C@@]1(C)CO ZINC000528755028 567453248 /nfs/dbraw/zinc/45/32/48/567453248.db2.gz OMWSDUCXIWYKBV-KDURUIRLSA-N 0 1 378.310 3.415 20 0 GGADMN CN1C[C@H](NC(=O)c2cc(F)cc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000478405028 567453391 /nfs/dbraw/zinc/45/33/91/567453391.db2.gz ZJPPMHIVOCJCIQ-SJORKVTESA-N 0 1 377.257 3.416 20 0 GGADMN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000528765347 567453399 /nfs/dbraw/zinc/45/33/99/567453399.db2.gz BGAXIQFPANBZPA-ZWNOBZJWSA-N 0 1 382.220 3.448 20 0 GGADMN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570042226 567453641 /nfs/dbraw/zinc/45/36/41/567453641.db2.gz DWHOJWKEEDPJGP-JHDROBOHSA-N 0 1 375.310 3.006 20 0 GGADMN Cc1c(NC(=O)c2ccc(Br)cc2O)cccc1N1CCNC1=O ZINC000436819652 567453912 /nfs/dbraw/zinc/45/39/12/567453912.db2.gz DUUCLJRKAQAXFW-UHFFFAOYSA-N 0 1 390.237 3.245 20 0 GGADMN OC[C@H](NCc1cc(Br)sc1Br)[C@H]1CCCOC1 ZINC000641763220 567453905 /nfs/dbraw/zinc/45/39/05/567453905.db2.gz VTKSEPSHRVHAGU-WPRPVWTQSA-N 0 1 399.148 3.150 20 0 GGADMN OC[C@@H](NCc1cc(Br)sc1Br)[C@@H]1CCCOC1 ZINC000641763217 567454295 /nfs/dbraw/zinc/45/42/95/567454295.db2.gz VTKSEPSHRVHAGU-PSASIEDQSA-N 0 1 399.148 3.150 20 0 GGADMN OC[C@@H](NCc1cc(Br)sc1Br)[C@H]1CCCOC1 ZINC000641763219 567454432 /nfs/dbraw/zinc/45/44/32/567454432.db2.gz VTKSEPSHRVHAGU-WCBMZHEXSA-N 0 1 399.148 3.150 20 0 GGADMN COc1cc2c(cc1NC(=O)c1ccc(Br)cc1O)NC(=O)CC2 ZINC000436820238 567454591 /nfs/dbraw/zinc/45/45/91/567454591.db2.gz QJMGEVCWNGOTLX-UHFFFAOYSA-N 0 1 391.221 3.300 20 0 GGADMN CS(=O)(=O)[C@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000502823343 567454999 /nfs/dbraw/zinc/45/49/99/567454999.db2.gz MUEZTUOGCUVRPV-INIZCTEOSA-N 0 1 379.444 3.373 20 0 GGADMN CCN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2O)c1 ZINC000436810375 567454996 /nfs/dbraw/zinc/45/49/96/567454996.db2.gz RHRULHUJUUREKQ-UHFFFAOYSA-N 0 1 377.238 3.499 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)c2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000436831030 567455509 /nfs/dbraw/zinc/45/55/09/567455509.db2.gz FGCMCNHEVXTNJF-UHFFFAOYSA-N 0 1 381.837 3.294 20 0 GGADMN O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000478438563 567455673 /nfs/dbraw/zinc/45/56/73/567455673.db2.gz MNVCAIQCOPYIMQ-CQSZACIVSA-N 0 1 377.231 3.242 20 0 GGADMN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc2c(s1)CCNC2 ZINC000662672410 567455609 /nfs/dbraw/zinc/45/56/09/567455609.db2.gz ZAULKUYVLORZBL-UHFFFAOYSA-N 0 1 377.897 3.136 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc2cncn2c1 ZINC000550690517 567457350 /nfs/dbraw/zinc/45/73/50/567457350.db2.gz LKSGPBIDIYKDEH-HNNXBMFYSA-N 0 1 385.265 3.106 20 0 GGADMN C[C@@H]1CCSCCN1CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000502842148 567457675 /nfs/dbraw/zinc/45/76/75/567457675.db2.gz QBXWYZWORRHNNS-CYBMUJFWSA-N 0 1 376.444 3.071 20 0 GGADMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000502855179 567458105 /nfs/dbraw/zinc/45/81/05/567458105.db2.gz KCOYTFUVFFWOHX-CABCVRRESA-N 0 1 378.270 3.108 20 0 GGADMN C[C@@](N)(C(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccc(Br)cc1 ZINC000662702763 567458178 /nfs/dbraw/zinc/45/81/78/567458178.db2.gz MMOFMVVAVJJGBV-MJGOQNOKSA-N 0 1 395.341 3.431 20 0 GGADMN CN1C[C@@H](NC(=O)c2cc(F)ccc2Br)[C@@H](c2ccccc2)C1 ZINC000478457251 567458468 /nfs/dbraw/zinc/45/84/68/567458468.db2.gz KCUIJTPIOMCLGT-NVXWUHKLSA-N 0 1 377.257 3.416 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCCN(CC2(CS(C)(=O)=O)CC2)C1 ZINC000502880524 567459024 /nfs/dbraw/zinc/45/90/24/567459024.db2.gz OZKVZKVNBPLRPW-HNNXBMFYSA-N 0 1 385.957 3.428 20 0 GGADMN CO[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000662733163 567459272 /nfs/dbraw/zinc/45/92/72/567459272.db2.gz HYRUEGBMAUYAGJ-FUHWJXTLSA-N 0 1 383.330 3.335 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CCCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000502886064 567459426 /nfs/dbraw/zinc/45/94/26/567459426.db2.gz UUBOYFONHPGXLV-NSHDSACASA-N 0 1 393.285 3.360 20 0 GGADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436854041 567459522 /nfs/dbraw/zinc/45/95/22/567459522.db2.gz RUBKWCSGOQBMQX-LBPRGKRZSA-N 0 1 385.277 3.098 20 0 GGADMN CO[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000662733170 567459558 /nfs/dbraw/zinc/45/95/58/567459558.db2.gz HYRUEGBMAUYAGJ-WMZOPIPTSA-N 0 1 383.330 3.335 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)Cc2cccc(I)c2)c1 ZINC000436867800 567461266 /nfs/dbraw/zinc/46/12/66/567461266.db2.gz DPFXQBVRDVHGGN-UHFFFAOYSA-N 0 1 395.196 3.381 20 0 GGADMN O=C(NC[C@@H](CO)Cc1ccccc1Br)c1ccc(O)c(Cl)c1 ZINC000436867282 567461336 /nfs/dbraw/zinc/46/13/36/567461336.db2.gz BJSUXIQZJMDVJM-NSHDSACASA-N 0 1 398.684 3.389 20 0 GGADMN O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000436868456 567461354 /nfs/dbraw/zinc/46/13/54/567461354.db2.gz JKSVJPDIYKWXBY-INIZCTEOSA-N 0 1 376.909 3.393 20 0 GGADMN O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000436868456 567461358 /nfs/dbraw/zinc/46/13/58/567461358.db2.gz JKSVJPDIYKWXBY-INIZCTEOSA-N 0 1 376.909 3.393 20 0 GGADMN CCCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457379806 567461802 /nfs/dbraw/zinc/46/18/02/567461802.db2.gz ULXRQZIKZMTAJL-HNNXBMFYSA-N 0 1 383.901 3.095 20 0 GGADMN COc1ccc([C@H](C)NC(=O)N2CCN(C3CCC3)CC2)cc1Br ZINC000502937622 567461841 /nfs/dbraw/zinc/46/18/41/567461841.db2.gz DGZOHDMMFLZVRQ-ZDUSSCGKSA-N 0 1 396.329 3.398 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cc1C(N)=O ZINC000619517728 567462214 /nfs/dbraw/zinc/46/22/14/567462214.db2.gz POOCSUJFNIMIPO-UHFFFAOYSA-N 0 1 379.507 3.010 20 0 GGADMN CC1CCN(CC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000478493651 567462248 /nfs/dbraw/zinc/46/22/48/567462248.db2.gz PTORFVIKHFIAGP-HNNXBMFYSA-N 0 1 378.822 3.240 20 0 GGADMN COC1(C)CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC000436872161 567462841 /nfs/dbraw/zinc/46/28/41/567462841.db2.gz PVPBKEJVAIGWRT-UHFFFAOYSA-N 0 1 380.853 3.220 20 0 GGADMN CCc1nc(NC(=O)c2cc(Br)c(C)cc2Br)n[nH]1 ZINC000528838772 567463157 /nfs/dbraw/zinc/46/31/57/567463157.db2.gz IMUAFBVOZKFOMS-UHFFFAOYSA-N 0 1 388.063 3.453 20 0 GGADMN CCc1n[nH]c(NC(=O)c2cc(Br)c(C)cc2Br)n1 ZINC000528838772 567463164 /nfs/dbraw/zinc/46/31/64/567463164.db2.gz IMUAFBVOZKFOMS-UHFFFAOYSA-N 0 1 388.063 3.453 20 0 GGADMN Fc1cc(Br)c(CN[C@H](c2nnc[nH]2)c2cccnc2)cc1F ZINC000550821021 567463312 /nfs/dbraw/zinc/46/33/12/567463312.db2.gz SLXNOSNYVVLYCK-AWEZNQCLSA-N 0 1 380.196 3.120 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1ccccc1Cl ZINC000641980819 567463469 /nfs/dbraw/zinc/46/34/69/567463469.db2.gz UJFOHTWKCMIGNO-UHFFFAOYSA-N 0 1 379.869 3.448 20 0 GGADMN CCOC(=O)[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)[C@H](C)CC ZINC000502994778 567463813 /nfs/dbraw/zinc/46/38/13/567463813.db2.gz VIMHSDGAGZNJBU-NOZJJQNGSA-N 0 1 382.258 3.033 20 0 GGADMN CCOC(=O)[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)[C@H](C)CC ZINC000502994781 567463827 /nfs/dbraw/zinc/46/38/27/567463827.db2.gz VIMHSDGAGZNJBU-RNCFNFMXSA-N 0 1 382.258 3.033 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550824282 567464202 /nfs/dbraw/zinc/46/42/02/567464202.db2.gz DLCPLJBTQPCZPC-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(Br)ccc1[O-] ZINC000436893306 567464258 /nfs/dbraw/zinc/46/42/58/567464258.db2.gz MTRQFHTVVGUEND-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1c(Cl)ccc(F)c1F ZINC000550826945 567465302 /nfs/dbraw/zinc/46/53/02/567465302.db2.gz QHKCKBBHWSOEKD-ZDUSSCGKSA-N 0 1 390.839 3.327 20 0 GGADMN O=C(c1c(Br)ccc2ccccc21)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000528880934 567465450 /nfs/dbraw/zinc/46/54/50/567465450.db2.gz GLTXINJJSXYHAK-GFCCVEGCSA-N 0 1 386.253 3.135 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662857987 567465878 /nfs/dbraw/zinc/46/58/78/567465878.db2.gz SDCBTFWMZMCEPW-UHFFFAOYSA-N 0 1 383.279 3.138 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCc2sc(Br)cc2C1 ZINC000662882618 567467081 /nfs/dbraw/zinc/46/70/81/567467081.db2.gz JYYFNYOLPWPAEF-CQSZACIVSA-N 0 1 377.307 3.110 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCc2sc(Br)cc2C1 ZINC000662882616 567467462 /nfs/dbraw/zinc/46/74/62/567467462.db2.gz JYYFNYOLPWPAEF-AWEZNQCLSA-N 0 1 377.307 3.110 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000594281330 567467555 /nfs/dbraw/zinc/46/75/55/567467555.db2.gz DVLLWHDKYJKEIT-OAHLLOKOSA-N 0 1 384.351 3.164 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCc2cnn(C)c2)CC1 ZINC000503085732 567468254 /nfs/dbraw/zinc/46/82/54/567468254.db2.gz HJZQVWJKVYSMCD-OAHLLOKOSA-N 0 1 377.330 3.104 20 0 GGADMN CO[C@H](CN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C)C1CC1 ZINC000550894451 567468477 /nfs/dbraw/zinc/46/84/77/567468477.db2.gz FWKDLYVPXXRUOK-MEDUHNTESA-N 0 1 379.302 3.414 20 0 GGADMN Cn1cnc2c1nccc2C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000436939318 567468940 /nfs/dbraw/zinc/46/89/40/567468940.db2.gz YNMSJNPIWJHWLP-UHFFFAOYSA-N 0 1 381.617 3.342 20 0 GGADMN O=S(=O)(CCCN[C@@H](c1cccs1)c1nnc[nH]1)c1ccc(Cl)cc1 ZINC000550938576 567469408 /nfs/dbraw/zinc/46/94/08/567469408.db2.gz YKDYLOQWVINGEW-HNNXBMFYSA-N 0 1 396.925 3.063 20 0 GGADMN CN(CCC(=O)N1CCOc2ccccc21)Cc1cc(Br)cn1C ZINC000503121829 567469628 /nfs/dbraw/zinc/46/96/28/567469628.db2.gz QEZITUAELSEJQX-UHFFFAOYSA-N 0 1 392.297 3.035 20 0 GGADMN O=S(=O)(CCCN[C@H](c1cccs1)c1nnc[nH]1)c1ccc(Cl)cc1 ZINC000550938577 567469762 /nfs/dbraw/zinc/46/97/62/567469762.db2.gz YKDYLOQWVINGEW-OAHLLOKOSA-N 0 1 396.925 3.063 20 0 GGADMN CC(=O)NCCN(CC[C@H]1CCCO1)Cc1ccc(Br)s1 ZINC000503190605 567472580 /nfs/dbraw/zinc/47/25/80/567472580.db2.gz CRAQQKODWDKPPC-CYBMUJFWSA-N 0 1 375.332 3.018 20 0 GGADMN O=C([O-])C1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000663045115 567473589 /nfs/dbraw/zinc/47/35/89/567473589.db2.gz FGBIQSCAMGHXOV-UHFFFAOYSA-N 0 1 385.291 3.329 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2c(Cl)ccc3ccccc32)C[C@H]1N(C)C ZINC000503210325 567474261 /nfs/dbraw/zinc/47/42/61/567474261.db2.gz CVBYSTMPTDHNNO-CVEARBPZSA-N 0 1 384.954 3.159 20 0 GGADMN O=C([O-])[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000663046071 567474417 /nfs/dbraw/zinc/47/44/17/567474417.db2.gz PJRZRLQNVYNCHJ-INIZCTEOSA-N 0 1 385.291 3.185 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000437005182 567475253 /nfs/dbraw/zinc/47/52/53/567475253.db2.gz SCQXHWBIFJTOPI-UHFFFAOYSA-N 0 1 388.214 3.297 20 0 GGADMN COC(=O)[C@]1(C)CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C ZINC000503235471 567475933 /nfs/dbraw/zinc/47/59/33/567475933.db2.gz VKKMUEPOOUCQKB-XREVXJRMSA-N 0 1 378.321 3.232 20 0 GGADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl ZINC000642331950 567476234 /nfs/dbraw/zinc/47/62/34/567476234.db2.gz BHHJJGGUKBTEAX-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331545 567476519 /nfs/dbraw/zinc/47/65/19/567476519.db2.gz AVJKGJGTHXISNV-BDAKNGLRSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331545 567476524 /nfs/dbraw/zinc/47/65/24/567476524.db2.gz AVJKGJGTHXISNV-BDAKNGLRSA-N 0 1 386.271 3.246 20 0 GGADMN CC(=O)NCCN(CCc1ccncc1)Cc1ccc(Br)s1 ZINC000503245263 567476479 /nfs/dbraw/zinc/47/64/79/567476479.db2.gz QVLOCNDKFBUFKA-UHFFFAOYSA-N 0 1 382.327 3.086 20 0 GGADMN CN1CCCC[C@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000619731135 567477061 /nfs/dbraw/zinc/47/70/61/567477061.db2.gz DPMWQXRGOGIQHC-ZDUSSCGKSA-N 0 1 392.668 3.045 20 0 GGADMN O[C@H](CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000551087601 567477011 /nfs/dbraw/zinc/47/70/11/567477011.db2.gz UMGYXDMIHVFNOS-MRRJBJDNSA-N 0 1 384.245 3.258 20 0 GGADMN COC(=O)[C@]1(C)CN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000503257464 567477282 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Cc1nc([C@H](C)NC(=O)N[C@@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000570423438 567483584 /nfs/dbraw/zinc/48/35/84/567483584.db2.gz BRNAMEYHTGOIFN-WRWORJQWSA-N 0 1 382.287 3.083 20 0 GGADMN COCC(=O)NC1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000642625927 567483608 /nfs/dbraw/zinc/48/36/08/567483608.db2.gz OJTOIVLKSYVWKR-UHFFFAOYSA-N 0 1 377.337 3.313 20 0 GGADMN C[C@H](NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccccc1I ZINC000594511465 567483551 /nfs/dbraw/zinc/48/35/51/567483551.db2.gz NSTBVVODOSSBNZ-GWCFXTLKSA-N 0 1 398.248 3.112 20 0 GGADMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1I)C1CCC1 ZINC000594525825 567483595 /nfs/dbraw/zinc/48/35/95/567483595.db2.gz WLAHNKNSNWBOAC-UHFFFAOYSA-N 0 1 379.625 3.384 20 0 GGADMN C[C@@H](NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc(I)cc1 ZINC000594511753 567483813 /nfs/dbraw/zinc/48/38/13/567483813.db2.gz OCNOQBPUVSCZSK-ZWNOBZJWSA-N 0 1 398.248 3.112 20 0 GGADMN C[C@H](NCc1n[nH]c([C@H]2CCCO2)n1)c1ccccc1I ZINC000594511466 567484028 /nfs/dbraw/zinc/48/40/28/567484028.db2.gz NSTBVVODOSSBNZ-GXFFZTMASA-N 0 1 398.248 3.112 20 0 GGADMN COCCCNC(=O)[C@@H](C)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503417034 567484118 /nfs/dbraw/zinc/48/41/18/567484118.db2.gz SVFUFPNMDMIISA-CQSZACIVSA-N 0 1 383.330 3.170 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(Br)co1 ZINC000457691899 567484420 /nfs/dbraw/zinc/48/44/20/567484420.db2.gz QMAYRNBDQWPYTB-UHFFFAOYSA-N 0 1 379.254 3.251 20 0 GGADMN COCCCNC(=O)[C@H](C)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503417033 567484530 /nfs/dbraw/zinc/48/45/30/567484530.db2.gz SVFUFPNMDMIISA-AWEZNQCLSA-N 0 1 383.330 3.170 20 0 GGADMN CC(C)[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000594553673 567484745 /nfs/dbraw/zinc/48/47/45/567484745.db2.gz UIXXPVRYTGRGBN-CABCVRRESA-N 0 1 399.329 3.179 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000570456765 567486002 /nfs/dbraw/zinc/48/60/02/567486002.db2.gz LIVKUHGEMPVCIV-FHBSJOOWSA-N 0 1 388.291 3.452 20 0 GGADMN FC(F)(F)[C@H](CN[C@H]1CCc2sc(Br)cc21)N1CCOCC1 ZINC000551198695 567486614 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CN1CCN(Cc2ccc(NC(=O)COc3ccsc3Cl)cc2)CC1 ZINC000551215861 567488017 /nfs/dbraw/zinc/48/80/17/567488017.db2.gz ZWRAFAHZKWAQNL-UHFFFAOYSA-N 0 1 379.913 3.166 20 0 GGADMN Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc12 ZINC000642828799 567488650 /nfs/dbraw/zinc/48/86/50/567488650.db2.gz GOGFLZAYAUMMCC-UHFFFAOYSA-N 0 1 376.385 3.158 20 0 GGADMN COc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc(C)n1 ZINC000503485411 567488808 /nfs/dbraw/zinc/48/88/08/567488808.db2.gz HREGLJGCGMUUFU-UHFFFAOYSA-N 0 1 388.225 3.199 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1F ZINC000437308581 567489566 /nfs/dbraw/zinc/48/95/66/567489566.db2.gz SGPYNSRDZCLCOS-UHFFFAOYSA-N 0 1 376.906 3.293 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2F)nc1C ZINC000663262915 567489584 /nfs/dbraw/zinc/48/95/84/567489584.db2.gz VFEDFPBVOQSFHK-UHFFFAOYSA-N 0 1 380.214 3.053 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)c2cc(Br)cc3nc[nH]c32)cc1 ZINC000503511564 567490164 /nfs/dbraw/zinc/49/01/64/567490164.db2.gz DPKQFBOUCOVSEU-INIZCTEOSA-N 0 1 388.265 3.351 20 0 GGADMN Cc1c(Br)cc(CN[C@@H](C)C(=O)N(C)C)cc1Br ZINC000551231508 567490537 /nfs/dbraw/zinc/49/05/37/567490537.db2.gz FLRMIWZWZLXXPQ-VIFPVBQESA-N 0 1 378.108 3.086 20 0 GGADMN CC(C)(C)N1C[C@H](CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1=O ZINC000620014093 567490800 /nfs/dbraw/zinc/49/08/00/567490800.db2.gz FNSLYTFEECINNZ-JTQLQIEISA-N 0 1 380.901 3.168 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ncc(I)cc2C)cc1 ZINC000437315500 567491290 /nfs/dbraw/zinc/49/12/90/567491290.db2.gz ZEVPJRQBNAJGAG-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)ccc1OC ZINC000437327402 567492511 /nfs/dbraw/zinc/49/25/11/567492511.db2.gz LCWFTGVKRARFAT-UHFFFAOYSA-N 0 1 384.479 3.037 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000503534999 567492912 /nfs/dbraw/zinc/49/29/12/567492912.db2.gz ZZYZQSBQBVMSKI-UHFFFAOYSA-N 0 1 393.191 3.197 20 0 GGADMN Brc1ccc2[nH]c(CN[C@H](c3nnc[nH]3)c3cccnc3)cc2c1 ZINC000551283956 567493645 /nfs/dbraw/zinc/49/36/45/567493645.db2.gz CZSALXUTTMRVRH-INIZCTEOSA-N 0 1 383.253 3.323 20 0 GGADMN Cc1ccnc([C@@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C2CC2)n1 ZINC000503555449 567493974 /nfs/dbraw/zinc/49/39/74/567493974.db2.gz ZPXHGMAOTRERQU-AWEZNQCLSA-N 0 1 386.253 3.305 20 0 GGADMN C[C@@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000643148025 567494581 /nfs/dbraw/zinc/49/45/81/567494581.db2.gz SNRCWVJBZUMCPU-QAPCUYQASA-N 0 1 395.341 3.266 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1ccccc1Br)c1cccc(F)c1 ZINC000478981146 567494492 /nfs/dbraw/zinc/49/44/92/567494492.db2.gz IAIDVCCDQRVZRA-MRXNPFEDSA-N 0 1 395.272 3.386 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1scc(Br)c1Br)C2 ZINC000529173092 567494740 /nfs/dbraw/zinc/49/47/40/567494740.db2.gz FEQSCSJBTJSEBL-UHFFFAOYSA-N 0 1 394.132 3.051 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1ccccc1Br)c1cccc(F)c1 ZINC000478981143 567494772 /nfs/dbraw/zinc/49/47/72/567494772.db2.gz IAIDVCCDQRVZRA-INIZCTEOSA-N 0 1 395.272 3.386 20 0 GGADMN O=C(Nc1cc(Cl)c(Br)cc1F)N1CC[C@H](c2nc[nH]n2)C1 ZINC000529174155 567494858 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CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c1 ZINC000551475481 567510429 /nfs/dbraw/zinc/51/04/29/567510429.db2.gz SKOVEKZJYCBGTG-UHFFFAOYSA-N 0 1 382.869 3.195 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000570762334 567511061 /nfs/dbraw/zinc/51/10/61/567511061.db2.gz RPTQESVAPICCLV-LLVKDONJSA-N 0 1 395.750 3.207 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000479160024 567511131 /nfs/dbraw/zinc/51/11/31/567511131.db2.gz QXMSVQRQDMKDIY-CQSZACIVSA-N 0 1 393.408 3.291 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC000479165236 567511323 /nfs/dbraw/zinc/51/13/23/567511323.db2.gz SWEWIRVYAKATFR-CQSZACIVSA-N 0 1 379.379 3.359 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1Cl ZINC000594775556 567512228 /nfs/dbraw/zinc/51/22/28/567512228.db2.gz RMXVBHPTBYBAFT-ZDUSSCGKSA-N 0 1 377.337 3.373 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)CCCOc2ccccc2Br)n[nH]1 ZINC000458019370 567513338 /nfs/dbraw/zinc/51/33/38/567513338.db2.gz 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Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2ccc(F)cc2Cl)c1C ZINC000479280466 567522369 /nfs/dbraw/zinc/52/23/69/567522369.db2.gz MLJIFPJUSNLAKN-UHFFFAOYSA-N 0 1 391.873 3.300 20 0 GGADMN OC[C@]1(NCc2cccc(I)c2)CCOc2ccccc21 ZINC000551588699 567522430 /nfs/dbraw/zinc/52/24/30/567522430.db2.gz YRCQKMATMZIXDJ-QGZVFWFLSA-N 0 1 395.240 3.051 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2ncc(Br)cc2F)C[C@H](C)O1 ZINC000529525491 567523429 /nfs/dbraw/zinc/52/34/29/567523429.db2.gz JZUXKMMVGDKXRA-GUTXKFCHSA-N 0 1 386.309 3.057 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2Cc2ncc(Br)cc2F)C[C@@H](C)O1 ZINC000529525659 567524095 /nfs/dbraw/zinc/52/40/95/567524095.db2.gz JZUXKMMVGDKXRA-UMVBOHGHSA-N 0 1 386.309 3.057 20 0 GGADMN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cc2c(cc1Br)OCO2 ZINC000570934394 567524171 /nfs/dbraw/zinc/52/41/71/567524171.db2.gz UFMQDRBXMIBXNI-UHFFFAOYSA-N 0 1 392.249 3.307 20 0 GGADMN CN(C)c1ncccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000438223362 567524315 /nfs/dbraw/zinc/52/43/15/567524315.db2.gz MRMKFOHRWGBISE-UHFFFAOYSA-N 0 1 390.690 3.364 20 0 GGADMN O=C(CNCc1ccc(OCc2ccccc2)c(Br)c1)NC1CC1 ZINC000504150555 567524609 /nfs/dbraw/zinc/52/46/09/567524609.db2.gz YSMQWSUEWIITID-UHFFFAOYSA-N 0 1 389.293 3.396 20 0 GGADMN CC[C@H]1CN(Cc2ncc(Cl)cc2Br)CCN1CCOC ZINC000529528016 567525419 /nfs/dbraw/zinc/52/54/19/567525419.db2.gz FEYWPWMEBNMCIO-ZDUSSCGKSA-N 0 1 376.726 3.040 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000438263001 567525764 /nfs/dbraw/zinc/52/57/64/567525764.db2.gz UFKFVVQTJDTKJN-CQSZACIVSA-N 0 1 379.298 3.208 20 0 GGADMN OC[C@@H](CC(F)F)NCc1cc(Cl)ccc1I ZINC000594938582 567526513 /nfs/dbraw/zinc/52/65/13/567526513.db2.gz MUZFLBDKIDKOKY-SECBINFHSA-N 0 1 375.584 3.050 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)cc1)c1ccsc1 ZINC000479343684 567526226 /nfs/dbraw/zinc/52/62/26/567526226.db2.gz HXPVRGZXLOIFKG-IAGOWNOFSA-N 0 1 381.929 3.427 20 0 GGADMN COc1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c(C)c1OC ZINC000570963318 567527067 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Brc1cnnc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000663983375 567547229 /nfs/dbraw/zinc/54/72/29/567547229.db2.gz FZQVAKJLKKVVLG-UHFFFAOYSA-N 0 1 385.269 3.408 20 0 GGADMN CCCC[C@@H](COC)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458438327 567548023 /nfs/dbraw/zinc/54/80/23/567548023.db2.gz SRLQDZSVCBOREB-NSHDSACASA-N 0 1 383.290 3.330 20 0 GGADMN Cc1nc2ccc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)cc2s1 ZINC000438817685 567548285 /nfs/dbraw/zinc/54/82/85/567548285.db2.gz ZRVXMWUOGOYBIO-UHFFFAOYSA-N 0 1 395.849 3.493 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2sccc2C)c(F)c1 ZINC000479620610 567549245 /nfs/dbraw/zinc/54/92/45/567549245.db2.gz VRTKBKNDNSUDNG-UHFFFAOYSA-N 0 1 381.454 3.250 20 0 GGADMN CCc1nc(CNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000458497993 567550188 /nfs/dbraw/zinc/55/01/88/567550188.db2.gz DGRVGPAWFVVWMA-UHFFFAOYSA-N 0 1 392.674 3.206 20 0 GGADMN CC[C@@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CCOCC1 ZINC000458496147 567550245 /nfs/dbraw/zinc/55/02/45/567550245.db2.gz 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20 0 GGADMN CCCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1Br ZINC000621297842 567574880 /nfs/dbraw/zinc/57/48/80/567574880.db2.gz ZMBZRRUJNKFAMF-UHFFFAOYSA-N 0 1 396.329 3.382 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000458810218 567575230 /nfs/dbraw/zinc/57/52/30/567575230.db2.gz KRRALWPCHDNJPQ-CQSZACIVSA-N 0 1 378.274 3.032 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000458805315 567575396 /nfs/dbraw/zinc/57/53/96/567575396.db2.gz YCYQWSZNVQYYEU-AWEZNQCLSA-N 0 1 378.274 3.032 20 0 GGADMN Cc1ncoc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000571616912 567575966 /nfs/dbraw/zinc/57/59/66/567575966.db2.gz GUHSBWIXVGRCKK-NSHDSACASA-N 0 1 393.285 3.138 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)[C@@H](C(=O)[O-])C1 ZINC000530165031 567577431 /nfs/dbraw/zinc/57/74/31/567577431.db2.gz GDHUEWAGMYQCPW-SMDDNHRTSA-N 0 1 376.678 3.475 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1Br ZINC000530157844 567578163 /nfs/dbraw/zinc/57/81/63/567578163.db2.gz VYKOWODTMMQARO-UHFFFAOYSA-N 0 1 398.282 3.316 20 0 GGADMN CC[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000552339703 567579194 /nfs/dbraw/zinc/57/91/94/567579194.db2.gz DMZCHBRCYDZPPU-BBRMVZONSA-N 0 1 389.359 3.304 20 0 GGADMN COc1ccc(COCCN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000644784724 567579189 /nfs/dbraw/zinc/57/91/89/567579189.db2.gz IWGZWNDZEMQSBH-GOSISDBHSA-N 0 1 398.272 3.437 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000552335467 567579468 /nfs/dbraw/zinc/57/94/68/567579468.db2.gz STSUAIDHVDUHRM-CQSZACIVSA-N 0 1 384.933 3.055 20 0 GGADMN CCOc1cncc(CNCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000621331592 567580003 /nfs/dbraw/zinc/58/00/03/567580003.db2.gz GOQPBYKQSWACGQ-UHFFFAOYSA-N 0 1 379.254 3.304 20 0 GGADMN O=C([O-])c1ccc(F)c2c1C[N@@H+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000530169752 567580079 /nfs/dbraw/zinc/58/00/79/567580079.db2.gz UIPBATDEVDQCGS-KRWDZBQOSA-N 0 1 394.240 3.378 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCc2ccc(Br)cc2C1 ZINC000552345827 567580748 /nfs/dbraw/zinc/58/07/48/567580748.db2.gz ODSOSXKKYOHMDI-UHFFFAOYSA-N 0 1 383.245 3.489 20 0 GGADMN O=C(N1CC[C@H](c2nc[nH]n2)C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000644827951 567580807 /nfs/dbraw/zinc/58/08/07/567580807.db2.gz OLZCPADJERLZQX-ZDUSSCGKSA-N 0 1 389.297 3.395 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)n[nH]1 ZINC000458869424 567580941 /nfs/dbraw/zinc/58/09/41/567580941.db2.gz HDHOPFDTJRZPEB-CYBMUJFWSA-N 0 1 396.264 3.315 20 0 GGADMN CCOc1cncc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000621350361 567581108 /nfs/dbraw/zinc/58/11/08/567581108.db2.gz GNURYPDAAWFURE-QGZVFWFLSA-N 0 1 390.281 3.138 20 0 GGADMN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC000439332466 567581683 /nfs/dbraw/zinc/58/16/83/567581683.db2.gz SSXUYXKSVGNOHQ-GFCCVEGCSA-N 0 1 394.313 3.005 20 0 GGADMN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(c2cccc(Br)c2)CC1 ZINC000439332467 567581941 /nfs/dbraw/zinc/58/19/41/567581941.db2.gz SSXUYXKSVGNOHQ-LBPRGKRZSA-N 0 1 394.313 3.005 20 0 GGADMN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000439324578 567582382 /nfs/dbraw/zinc/58/23/82/567582382.db2.gz OQRWQBHSXPTESM-KSSFIOAISA-N 0 1 395.341 3.312 20 0 GGADMN CS(=O)(=O)CC1(CN2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000439317616 567582428 /nfs/dbraw/zinc/58/24/28/567582428.db2.gz MYYSWSGUWRMMCU-UHFFFAOYSA-N 0 1 386.355 3.453 20 0 GGADMN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(c2cccc(Br)c2)CC1 ZINC000439322903 567582587 /nfs/dbraw/zinc/58/25/87/567582587.db2.gz QGHXXDJQAKSCML-ZDUSSCGKSA-N 0 1 396.329 3.251 20 0 GGADMN CCc1nc(CNC(=O)N(C)Cc2cc(Br)ccc2Cl)n[nH]1 ZINC000458879699 567582970 /nfs/dbraw/zinc/58/29/70/567582970.db2.gz WMJLWUWUSNZDLV-UHFFFAOYSA-N 0 1 386.681 3.125 20 0 GGADMN CCc1nc(CNC(=O)N(C)Cc2ccc(Br)cc2Cl)n[nH]1 ZINC000458879707 567583161 /nfs/dbraw/zinc/58/31/61/567583161.db2.gz WNMRTIFETMFYEE-UHFFFAOYSA-N 0 1 386.681 3.125 20 0 GGADMN O=S(=O)(NC1CCN(CCc2ccccc2Cl)CC1)c1ccccc1 ZINC000480158669 567583349 /nfs/dbraw/zinc/58/33/49/567583349.db2.gz GVZRUKQIVOJQDA-UHFFFAOYSA-N 0 1 378.925 3.325 20 0 GGADMN COCCOCCCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000480137514 567583366 /nfs/dbraw/zinc/58/33/66/567583366.db2.gz DWUJPKRUGVOUBV-ZDUSSCGKSA-N 0 1 397.317 3.042 20 0 GGADMN CCc1nc(CNC(=O)N2CCC(c3ccccc3Br)CC2)n[nH]1 ZINC000458879107 567583646 /nfs/dbraw/zinc/58/36/46/567583646.db2.gz VXOQZHJOLXLNLH-UHFFFAOYSA-N 0 1 392.301 3.219 20 0 GGADMN CCc1nc(CNC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000458878995 567583739 /nfs/dbraw/zinc/58/37/39/567583739.db2.gz VFRSWLBFJUZMHP-SNVBAGLBSA-N 0 1 386.283 3.283 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000530208503 567584213 /nfs/dbraw/zinc/58/42/13/567584213.db2.gz UFINHQYKUHGOFW-KRWDZBQOSA-N 0 1 376.254 3.345 20 0 GGADMN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480170313 567584233 /nfs/dbraw/zinc/58/42/33/567584233.db2.gz NXKQXCBECSBIBG-RBSFLKMASA-N 0 1 388.327 3.215 20 0 GGADMN CC[C@H](NC(=O)NCCCc1nc[nH]n1)c1cc(F)cc(Br)c1 ZINC000664712482 567584464 /nfs/dbraw/zinc/58/44/64/567584464.db2.gz SOWPUULYHUFBAG-ZDUSSCGKSA-N 0 1 384.253 3.089 20 0 GGADMN Brc1ccc([C@@H](NCCn2cnnc2C2CC2)c2cncnc2)cc1 ZINC000480169761 567584434 /nfs/dbraw/zinc/58/44/34/567584434.db2.gz NIZWLWKSMRFHHE-QGZVFWFLSA-N 0 1 399.296 3.087 20 0 GGADMN CO[C@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)(C)C ZINC000480172427 567584506 /nfs/dbraw/zinc/58/45/06/567584506.db2.gz SUULMHCPVQYJSW-UKRRQHHQSA-N 0 1 390.343 3.318 20 0 GGADMN Cc1cnc(CCN[C@H](c2ccc(Br)cc2)c2cncnc2)nc1 ZINC000480168642 567584712 /nfs/dbraw/zinc/58/47/12/567584712.db2.gz KNKFZBCYBAEOKX-GOSISDBHSA-N 0 1 384.281 3.259 20 0 GGADMN CC(C)(C)C[C@@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480163793 567584873 /nfs/dbraw/zinc/58/48/73/567584873.db2.gz WMWLCDGLWLQBEL-GXTWGEPZSA-N 0 1 390.343 3.054 20 0 GGADMN COc1cc(CN2CCSC3(CCC3)CC2)cc(Cl)c1OCC(N)=O ZINC000571742007 567585427 /nfs/dbraw/zinc/58/54/27/567585427.db2.gz UPKPGZHUHUEEBL-UHFFFAOYSA-N 0 1 384.929 3.074 20 0 GGADMN Fc1ccc(Br)cc1[C@@H](NC[C@@H]1COCCN1)c1ccccc1 ZINC000530226642 567585727 /nfs/dbraw/zinc/58/57/27/567585727.db2.gz PFPSTAMLQIKPOG-QAPCUYQASA-N 0 1 379.273 3.256 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c(F)c1 ZINC000480186777 567585884 /nfs/dbraw/zinc/58/58/84/567585884.db2.gz AZEZKIJVFVNDMJ-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN C[C@@H](c1cccnc1)N(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439435373 567585939 /nfs/dbraw/zinc/58/59/39/567585939.db2.gz GQCWBYWKJYRFOZ-BLLLJJGKSA-N 0 1 383.261 3.416 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCN1C ZINC000552389387 567585980 /nfs/dbraw/zinc/58/59/80/567585980.db2.gz YCFLXLXWPPCHMG-CABCVRRESA-N 0 1 395.341 3.048 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000552389390 567586176 /nfs/dbraw/zinc/58/61/76/567586176.db2.gz YCFLXLXWPPCHMG-LSDHHAIUSA-N 0 1 395.341 3.048 20 0 GGADMN Fc1cc(Br)ccc1[C@H](NC[C@H]1COCCN1)c1ccccc1 ZINC000530223927 567586375 /nfs/dbraw/zinc/58/63/75/567586375.db2.gz JBIDKUDRTVDNLQ-MAUKXSAKSA-N 0 1 379.273 3.256 20 0 GGADMN COc1cc2nccc(N3CCC(S(C)(=O)=O)CC3)c2cc1Br ZINC000644872937 567586833 /nfs/dbraw/zinc/58/68/33/567586833.db2.gz YZTVDPZVHKIFHR-UHFFFAOYSA-N 0 1 399.310 3.019 20 0 GGADMN CC(C)C[C@H]1COCCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439440329 567587028 /nfs/dbraw/zinc/58/70/28/567587028.db2.gz NWUVGVQFNILMNU-JKSUJKDBSA-N 0 1 390.293 3.075 20 0 GGADMN COc1cc2nccc(N3CCO[C@H]([C@@H]4CCCO4)C3)c2cc1Br ZINC000644872184 567587136 /nfs/dbraw/zinc/58/71/36/567587136.db2.gz ZJJLOOFYMOMYGE-WMZOPIPTSA-N 0 1 393.281 3.390 20 0 GGADMN CC(C)c1nc(CNC(=O)NC/C=C\c2ccc(Br)cc2)n[nH]1 ZINC000458927729 567587525 /nfs/dbraw/zinc/58/75/25/567587525.db2.gz XONLCELBDSKMGC-ARJAWSKDSA-N 0 1 378.274 3.203 20 0 GGADMN COc1ccc(Br)c(CN(C)C(=O)NCc2n[nH]c(C(C)C)n2)c1 ZINC000458922597 567587766 /nfs/dbraw/zinc/58/77/66/567587766.db2.gz MDNQKDMYQQSPIN-UHFFFAOYSA-N 0 1 396.289 3.041 20 0 GGADMN O=C(CCCc1cccc(Br)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000644883808 567588005 /nfs/dbraw/zinc/58/80/05/567588005.db2.gz DIVUNNYRFPVVHJ-ZDUSSCGKSA-N 0 1 394.269 3.267 20 0 GGADMN CCS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2O)s1 ZINC000571774479 567588027 /nfs/dbraw/zinc/58/80/27/567588027.db2.gz IGNOLGBRGNYCHT-UHFFFAOYSA-N 0 1 393.408 3.196 20 0 GGADMN O=C(CCc1ccc(Br)cc1F)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000644883857 567588102 /nfs/dbraw/zinc/58/81/02/567588102.db2.gz FYQMTCCKIUJLGX-LLVKDONJSA-N 0 1 398.232 3.016 20 0 GGADMN CSc1ccc([C@@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000439463569 567588250 /nfs/dbraw/zinc/58/82/50/567588250.db2.gz BMGPFTQNEKRLDJ-CYBMUJFWSA-N 0 1 378.519 3.101 20 0 GGADMN CCN(Cc1ccccn1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439454375 567588782 /nfs/dbraw/zinc/58/87/82/567588782.db2.gz NFIPKEFQVFYADH-INIZCTEOSA-N 0 1 383.261 3.245 20 0 GGADMN O=C(CCCc1cccc(Br)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000644886834 567588932 /nfs/dbraw/zinc/58/89/32/567588932.db2.gz GSRACAWUFIPBBE-UHFFFAOYSA-N 0 1 394.269 3.267 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000571793273 567589045 /nfs/dbraw/zinc/58/90/45/567589045.db2.gz WOMIILQBASDNGF-SUMDDJOVSA-N 0 1 377.326 3.206 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c(F)c1 ZINC000480212271 567589128 /nfs/dbraw/zinc/58/91/28/567589128.db2.gz GAKIKLJYYQBPAF-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000571796879 567589061 /nfs/dbraw/zinc/58/90/61/567589061.db2.gz BOYYYNYELKPQEI-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN CCN(Cc1ccccn1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439454376 567589362 /nfs/dbraw/zinc/58/93/62/567589362.db2.gz NFIPKEFQVFYADH-MRXNPFEDSA-N 0 1 383.261 3.245 20 0 GGADMN Fc1ccc(Br)cc1Cc1noc(CCCCc2cn[nH]n2)n1 ZINC000571801065 567589562 /nfs/dbraw/zinc/58/95/62/567589562.db2.gz HDWLLZCSKPPDGL-UHFFFAOYSA-N 0 1 380.221 3.246 20 0 GGADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1csc(=NC2CC2)[nH]1 ZINC000552430699 567590237 /nfs/dbraw/zinc/59/02/37/567590237.db2.gz ZUYAMTRCSZDENL-CQSZACIVSA-N 0 1 393.310 3.178 20 0 GGADMN CC[C@H]1CN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CCCO1 ZINC000439488393 567590784 /nfs/dbraw/zinc/59/07/84/567590784.db2.gz XLEKGUHUCUSEHZ-PBHICJAKSA-N 0 1 383.330 3.297 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc2c(cc1Br)OCO2)c1ccsc1 ZINC000621525665 567591168 /nfs/dbraw/zinc/59/11/68/567591168.db2.gz TWRBGRXYQLKAFD-CYBMUJFWSA-N 0 1 397.294 3.272 20 0 GGADMN CC(C)(C)C[C@H](O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480252403 567591560 /nfs/dbraw/zinc/59/15/60/567591560.db2.gz UPXWGLJWSXUZOI-JSGCOSHPSA-N 0 1 390.343 3.054 20 0 GGADMN CC(C)c1ncc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cn1 ZINC000530318695 567592132 /nfs/dbraw/zinc/59/21/32/567592132.db2.gz DUOLVDMTSQHVHP-UHFFFAOYSA-N 0 1 387.237 3.456 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCC(F)(F)c2ccc(Br)cc2)n[nH]1 ZINC000621552713 567592361 /nfs/dbraw/zinc/59/23/61/567592361.db2.gz AGXFXNMGRNFPPV-MRVPVSSYSA-N 0 1 388.216 3.028 20 0 GGADMN O=S(=O)(NCCc1nc2c(s1)CCCC2)c1c(Cl)ccc(F)c1F ZINC000571829452 567592732 /nfs/dbraw/zinc/59/27/32/567592732.db2.gz LRRBIVRHHWHIKH-UHFFFAOYSA-N 0 1 392.880 3.475 20 0 GGADMN CCCNC(=O)c1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439562934 567592961 /nfs/dbraw/zinc/59/29/61/567592961.db2.gz AKZIIPLHHHGLSP-UHFFFAOYSA-N 0 1 375.475 3.237 20 0 GGADMN COc1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1NC(C)=O ZINC000439562054 567593112 /nfs/dbraw/zinc/59/31/12/567593112.db2.gz KMPWYERPUXSRJN-UHFFFAOYSA-N 0 1 377.447 3.064 20 0 GGADMN CC[C@@H](C)[C@@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)OC ZINC000458987113 567593163 /nfs/dbraw/zinc/59/31/63/567593163.db2.gz BXZKKYNFIWSIRN-ZWNOBZJWSA-N 0 1 383.290 3.186 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)Cc1ccccc1 ZINC000480274329 567593291 /nfs/dbraw/zinc/59/32/91/567593291.db2.gz NJKBDHCRNHXAFM-INIZCTEOSA-N 0 1 384.904 3.071 20 0 GGADMN COCC[C@H](NC(=O)NCCCc1nc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000664849583 567593544 /nfs/dbraw/zinc/59/35/44/567593544.db2.gz CIQGAXSHORWBGI-AWEZNQCLSA-N 0 1 386.283 3.121 20 0 GGADMN CC(C)(O)COc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439574087 567594074 /nfs/dbraw/zinc/59/40/74/567594074.db2.gz QBLZQJFDNWUHGK-UHFFFAOYSA-N 0 1 378.475 3.247 20 0 GGADMN CN(C)C(=O)c1ccc(=N[C@H]2c3cc(Br)ccc3CC2(C)C)[nH]n1 ZINC000571861581 567594349 /nfs/dbraw/zinc/59/43/49/567594349.db2.gz WYGNXDIHGWAKRO-INIZCTEOSA-N 0 1 389.297 3.098 20 0 GGADMN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439582202 567594830 /nfs/dbraw/zinc/59/48/30/567594830.db2.gz RQZMRUVLCIPROM-UHFFFAOYSA-N 0 1 375.475 3.155 20 0 GGADMN COC(=O)CCc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439576734 567594869 /nfs/dbraw/zinc/59/48/69/567594869.db2.gz XJXYBFOCYUNTOV-UHFFFAOYSA-N 0 1 376.459 3.203 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000459040421 567595071 /nfs/dbraw/zinc/59/50/71/567595071.db2.gz KKSYBCNJPHRBDV-JMCQJSRRSA-N 0 1 382.237 3.062 20 0 GGADMN O=C(Nc1nc(C(F)(F)F)cs1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000621553971 567595139 /nfs/dbraw/zinc/59/51/39/567595139.db2.gz QYVNBPVRRIKHKJ-BQBZGAKWSA-N 0 1 378.294 3.084 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000459040424 567595459 /nfs/dbraw/zinc/59/54/59/567595459.db2.gz KKSYBCNJPHRBDV-MADCSZMMSA-N 0 1 382.237 3.062 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1Br ZINC000505762790 567595685 /nfs/dbraw/zinc/59/56/85/567595685.db2.gz LIZMISOKFIBUGF-ZDUSSCGKSA-N 0 1 398.223 3.307 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1[nH]c2ccccc2c1Br ZINC000505792052 567596957 /nfs/dbraw/zinc/59/69/57/567596957.db2.gz BCLHYUGYTBJXJA-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN CN(Cc1ccc(Br)s1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000571881256 567597174 /nfs/dbraw/zinc/59/71/74/567597174.db2.gz XMVHWVWCBYNOGN-UHFFFAOYSA-N 0 1 386.319 3.268 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc2ccc(Br)cc2[nH]1 ZINC000505792373 567597190 /nfs/dbraw/zinc/59/71/90/567597190.db2.gz FXKQGQCNYCGKTI-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN O=S1(=O)CC[C@@H](NCCCOCC2CC2)c2cc(Br)ccc21 ZINC000480326631 567597225 /nfs/dbraw/zinc/59/72/25/567597225.db2.gz KHXQIYYDDHDANV-OAHLLOKOSA-N 0 1 388.327 3.074 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(F)cc1)Oc1ccc(Br)cc1 ZINC000439642608 567597261 /nfs/dbraw/zinc/59/72/61/567597261.db2.gz FKPCWSGXWSIEST-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN O=C(CCCc1ccc(Br)s1)Nc1ccn(-c2ccncc2)n1 ZINC000505799077 567597316 /nfs/dbraw/zinc/59/73/16/567597316.db2.gz LWXURNQRLOLWJQ-UHFFFAOYSA-N 0 1 391.294 3.475 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1c[nH]c2ccc(Br)cc12 ZINC000505799642 567597455 /nfs/dbraw/zinc/59/74/55/567597455.db2.gz TYSBKZQMCAZGQZ-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)CCc1cccs1 ZINC000530380454 567598364 /nfs/dbraw/zinc/59/83/64/567598364.db2.gz BILOPTRYKDARIT-PKOBYXMFSA-N 0 1 376.547 3.237 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccn(-c2ccncc2)n1 ZINC000505823530 567598524 /nfs/dbraw/zinc/59/85/24/567598524.db2.gz FJHBTDQCUYKSFP-UHFFFAOYSA-N 0 1 377.231 3.404 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(F)cc1)Oc1cccc(Br)c1 ZINC000439652585 567598709 /nfs/dbraw/zinc/59/87/09/567598709.db2.gz UFBUNLVWYRNHCT-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN O=C(CCc1ccc(Br)cc1F)Nc1nc(-c2ccncc2)n[nH]1 ZINC000645014259 567599103 /nfs/dbraw/zinc/59/91/03/567599103.db2.gz ZGQLSBZWDCBPHJ-UHFFFAOYSA-N 0 1 390.216 3.340 20 0 GGADMN CC(C)(C)CCS(=O)(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000571932629 567599314 /nfs/dbraw/zinc/59/93/14/567599314.db2.gz ABUKEGNTXRXBND-UHFFFAOYSA-N 0 1 376.404 3.464 20 0 GGADMN CC1(C)C[C@H](CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459131283 567599497 /nfs/dbraw/zinc/59/94/97/567599497.db2.gz GQAZJHIEZGBHFJ-LLVKDONJSA-N 0 1 395.301 3.330 20 0 GGADMN CC1(C)CCC[C@@]1(O)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459132155 567599734 /nfs/dbraw/zinc/59/97/34/567599734.db2.gz HLCOEZCGKUINQJ-QGZVFWFLSA-N 0 1 395.301 3.066 20 0 GGADMN CC(C)N(C(=O)NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCOC1 ZINC000459129348 567600185 /nfs/dbraw/zinc/60/01/85/567600185.db2.gz DYUGPTLTNUCJCZ-LLVKDONJSA-N 0 1 381.274 3.034 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439758106 567600870 /nfs/dbraw/zinc/60/08/70/567600870.db2.gz RBMUOPRBFAMQLE-QWRGUYRKSA-N 0 1 390.286 3.308 20 0 GGADMN CCC[C@]1(CO)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459138721 567600961 /nfs/dbraw/zinc/60/09/61/567600961.db2.gz MAUIRSJRJHLRRR-KRWDZBQOSA-N 0 1 395.301 3.020 20 0 GGADMN CCO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H]1C ZINC000459140785 567601361 /nfs/dbraw/zinc/60/13/61/567601361.db2.gz NOVNBHSZPWXQQO-RISCZKNCSA-N 0 1 395.301 3.282 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCCO1 ZINC000459147047 567601671 /nfs/dbraw/zinc/60/16/71/567601671.db2.gz SYNYEXLBIRVNSV-AWEZNQCLSA-N 0 1 395.301 3.282 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439758105 567601788 /nfs/dbraw/zinc/60/17/88/567601788.db2.gz RBMUOPRBFAMQLE-MNOVXSKESA-N 0 1 390.286 3.308 20 0 GGADMN Cc1csc(NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000571963201 567601953 /nfs/dbraw/zinc/60/19/53/567601953.db2.gz WIQRLCDFMGGFIJ-HOCLYGCPSA-N 0 1 382.892 3.218 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)N1CCN(C2CCCC2)CC1 ZINC000439775166 567602443 /nfs/dbraw/zinc/60/24/43/567602443.db2.gz MZTOQWGKXGMBMO-UHFFFAOYSA-N 0 1 388.270 3.158 20 0 GGADMN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000530472422 567603979 /nfs/dbraw/zinc/60/39/79/567603979.db2.gz YPTKCWXMDNSMAX-ZJUUUORDSA-N 0 1 377.242 3.178 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000530472421 567604236 /nfs/dbraw/zinc/60/42/36/567604236.db2.gz YPTKCWXMDNSMAX-VHSXEESVSA-N 0 1 377.242 3.178 20 0 GGADMN CCN(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000480430718 567604521 /nfs/dbraw/zinc/60/45/21/567604521.db2.gz XMHDRZNWACSVRB-UHFFFAOYSA-N 0 1 386.832 3.077 20 0 GGADMN COCC[C@H](NC(=O)CSc1nnc(C)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000552743800 567606539 /nfs/dbraw/zinc/60/65/39/567606539.db2.gz UBNISHDQNOXTLY-ZDUSSCGKSA-N 0 1 389.308 3.406 20 0 GGADMN COCC[C@H](NC(=O)CSc1nc(C)n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000552743800 567606547 /nfs/dbraw/zinc/60/65/47/567606547.db2.gz UBNISHDQNOXTLY-ZDUSSCGKSA-N 0 1 389.308 3.406 20 0 GGADMN Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(F)cc3nn[nH]c31)CC2 ZINC000506013937 567606715 /nfs/dbraw/zinc/60/67/15/567606715.db2.gz CZHRZWRTTVWUBI-UHFFFAOYSA-N 0 1 389.228 3.366 20 0 GGADMN CCn1ncc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1C(F)(F)F ZINC000439913726 567606729 /nfs/dbraw/zinc/60/67/29/567606729.db2.gz MLHBPFVMUSUEMJ-GFCCVEGCSA-N 0 1 375.420 3.408 20 0 GGADMN CC(C)OCCCN(C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459189928 567606777 /nfs/dbraw/zinc/60/67/77/567606777.db2.gz DCPVZMTVTMHNLU-UHFFFAOYSA-N 0 1 383.290 3.282 20 0 GGADMN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459198352 567606942 /nfs/dbraw/zinc/60/69/42/567606942.db2.gz HNZHHNPCEVNBGN-FZMZJTMJSA-N 0 1 395.301 3.018 20 0 GGADMN OCc1ccccc1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000530494047 567607103 /nfs/dbraw/zinc/60/71/03/567607103.db2.gz NEMWZXXAAQPMJX-UHFFFAOYSA-N 0 1 391.309 3.068 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN(CC2CC2)CC1 ZINC000480481799 567607179 /nfs/dbraw/zinc/60/71/79/567607179.db2.gz OHIHRQJPRQUFRN-ZDUSSCGKSA-N 0 1 383.305 3.321 20 0 GGADMN Cc1cc(I)cc(C(=O)N2CCN(CC3CC3)CC2)c1C ZINC000480480570 567607620 /nfs/dbraw/zinc/60/76/20/567607620.db2.gz LCIHJTRQDBVOPZ-UHFFFAOYSA-N 0 1 398.288 3.076 20 0 GGADMN C[C@@H](CS(C)(=O)=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530492360 567607587 /nfs/dbraw/zinc/60/75/87/567607587.db2.gz VKHSOPZURWOSDG-SUMWQHHRSA-N 0 1 397.338 3.151 20 0 GGADMN CC(C)CO[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459214712 567607761 /nfs/dbraw/zinc/60/77/61/567607761.db2.gz OAOFBWIFALMQNA-GFCCVEGCSA-N 0 1 395.301 3.282 20 0 GGADMN CN(C[C@@H]1CCCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459205102 567607791 /nfs/dbraw/zinc/60/77/91/567607791.db2.gz JTXFQBQYYYFIDP-NSHDSACASA-N 0 1 381.274 3.036 20 0 GGADMN CC1(C)CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC(C)(C)O1 ZINC000459218137 567607860 /nfs/dbraw/zinc/60/78/60/567607860.db2.gz QSEXEDWUKYCCHJ-UHFFFAOYSA-N 0 1 395.301 3.424 20 0 GGADMN Cc1cccc(CCN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000530524377 567608114 /nfs/dbraw/zinc/60/81/14/567608114.db2.gz DZAZDYLJPAYOTR-MRXNPFEDSA-N 0 1 395.322 3.203 20 0 GGADMN C[C@H]1N(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCOC1(C)C ZINC000459215560 567608223 /nfs/dbraw/zinc/60/82/23/567608223.db2.gz OINBNUTVCZYSPA-SNVBAGLBSA-N 0 1 381.274 3.034 20 0 GGADMN C[C@H](O)C[C@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211182 567608281 /nfs/dbraw/zinc/60/82/81/567608281.db2.gz LRRSOCOROQNMEK-NWDGAFQWSA-N 0 1 395.301 3.160 20 0 GGADMN C[C@H]1CCSCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459203413 567608384 /nfs/dbraw/zinc/60/83/84/567608384.db2.gz JCILXSUMJPXJJA-JTQLQIEISA-N 0 1 383.315 3.362 20 0 GGADMN Cc1ncsc1CN(C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459221443 567608557 /nfs/dbraw/zinc/60/85/57/567608557.db2.gz TZZBHEZWWPDNJZ-UHFFFAOYSA-N 0 1 394.298 3.432 20 0 GGADMN CN(CC[C@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218757 567608800 /nfs/dbraw/zinc/60/88/00/567608800.db2.gz RFFZCGZZWVFOBL-LLVKDONJSA-N 0 1 381.274 3.036 20 0 GGADMN CC[C@]1(C)CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459206453 567608873 /nfs/dbraw/zinc/60/88/73/567608873.db2.gz KFHQAMVNYLCVGL-MRXNPFEDSA-N 0 1 381.274 3.036 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CCN1CC(C)(C)O ZINC000480527481 567609567 /nfs/dbraw/zinc/60/95/67/567609567.db2.gz XDEXLAHAZTWPKY-NSHDSACASA-N 0 1 384.307 3.392 20 0 GGADMN CO[C@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)C(C)(C)C ZINC000459225658 567609581 /nfs/dbraw/zinc/60/95/81/567609581.db2.gz XTEGVYXOYAQQKR-GFCCVEGCSA-N 0 1 383.290 3.186 20 0 GGADMN C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000552786031 567609708 /nfs/dbraw/zinc/60/97/08/567609708.db2.gz KKVKDHUTAJDREC-LBPRGKRZSA-N 0 1 376.913 3.144 20 0 GGADMN CC(C)(C)[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459229268 567609838 /nfs/dbraw/zinc/60/98/38/567609838.db2.gz ZVCGCDBKGAYJHQ-CYBMUJFWSA-N 0 1 395.301 3.282 20 0 GGADMN CN(CCc1ccc(Br)cc1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459231288 567609866 /nfs/dbraw/zinc/60/98/66/567609866.db2.gz AKBVAMKEWDQILS-UHFFFAOYSA-N 0 1 394.317 3.249 20 0 GGADMN O=C(c1cc(Cl)c(F)cc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000645176779 567609847 /nfs/dbraw/zinc/60/98/47/567609847.db2.gz CJIHYCKAZDKHJD-LBPRGKRZSA-N 0 1 375.271 3.459 20 0 GGADMN CO[C@@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)C(C)(C)C ZINC000459225660 567610017 /nfs/dbraw/zinc/61/00/17/567610017.db2.gz XTEGVYXOYAQQKR-LBPRGKRZSA-N 0 1 383.290 3.186 20 0 GGADMN CCOC[C@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459223417 567610094 /nfs/dbraw/zinc/61/00/94/567610094.db2.gz WEYACEAYHPHFNX-LBPRGKRZSA-N 0 1 395.301 3.284 20 0 GGADMN C[C@@H](CC(F)(F)F)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459224705 567610269 /nfs/dbraw/zinc/61/02/69/567610269.db2.gz XBMWYXDKINZBSG-ZETCQYMHSA-N 0 1 379.180 3.466 20 0 GGADMN CCC(CC)[C@H](CNC(=O)NCCc1ccc(Cl)s1)N1CCOCC1 ZINC000506120203 567610436 /nfs/dbraw/zinc/61/04/36/567610436.db2.gz SNDRXYPMAWYMMM-INIZCTEOSA-N 0 1 387.977 3.380 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2cc(Br)ccc2F)cn1 ZINC000506123276 567610901 /nfs/dbraw/zinc/61/09/01/567610901.db2.gz RHXVRYKCRNKLEB-UHFFFAOYSA-N 0 1 392.232 3.125 20 0 GGADMN CC(C)CCOCCNC(=O)CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000645195198 567611016 /nfs/dbraw/zinc/61/10/16/567611016.db2.gz VNSHRXWPCUOPSP-CYBMUJFWSA-N 0 1 389.309 3.418 20 0 GGADMN CCCCOCCNC(=O)CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000645194276 567611179 /nfs/dbraw/zinc/61/11/79/567611179.db2.gz RFRCORQJVREGPM-GFCCVEGCSA-N 0 1 375.282 3.172 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2ccc(I)cc2)n[nH]1 ZINC000459267964 567611409 /nfs/dbraw/zinc/61/14/09/567611409.db2.gz UZVJECBVWBDFSD-UHFFFAOYSA-N 0 1 399.236 3.029 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645193189 567611844 /nfs/dbraw/zinc/61/18/44/567611844.db2.gz BAVHKAOJQXAJNH-VIFPVBQESA-N 0 1 383.265 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O=S1(=O)CCc2cc(CNCc3cnc(-c4cccs4)s3)ccc21 ZINC000531810983 567680453 /nfs/dbraw/zinc/68/04/53/567680453.db2.gz XUXISLUAGZWKSG-UHFFFAOYSA-N 0 1 376.528 3.491 20 0 GGADMN O=S(=O)(N[C@H](CO)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000481477207 567680475 /nfs/dbraw/zinc/68/04/75/567680475.db2.gz JVEJCTFKLHREHV-GFCCVEGCSA-N 0 1 382.215 3.284 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cn2c(n1)CCCC2 ZINC000442019476 567681127 /nfs/dbraw/zinc/68/11/27/567681127.db2.gz CZMPASWCAMLMJP-UHFFFAOYSA-N 0 1 387.241 3.019 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000666514536 567681454 /nfs/dbraw/zinc/68/14/54/567681454.db2.gz CGBFGVHQFDWGAM-UHFFFAOYSA-N 0 1 399.304 3.081 20 0 GGADMN O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000666538041 567681729 /nfs/dbraw/zinc/68/17/29/567681729.db2.gz LCBQARULLIOMHJ-OAHLLOKOSA-N 0 1 386.323 3.390 20 0 GGADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)NCC(=O)c1cccs1 ZINC000481526382 567684634 /nfs/dbraw/zinc/68/46/34/567684634.db2.gz 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O=C([O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000666580763 567688260 /nfs/dbraw/zinc/68/82/60/567688260.db2.gz RPUZPSBTPXEOMR-CQSZACIVSA-N 0 1 382.279 3.463 20 0 GGADMN O=S(=O)([N-]CCC[C@H]1CCC[NH2+]1)c1c(Cl)cc(F)cc1Br ZINC000573090117 567688423 /nfs/dbraw/zinc/68/84/23/567688423.db2.gz RJHRRIKKDSSPEH-SNVBAGLBSA-N 0 1 399.713 3.052 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)CCO1 ZINC000666580290 567688573 /nfs/dbraw/zinc/68/85/73/567688573.db2.gz BLFZTDDIBKRQMS-CQSZACIVSA-N 0 1 382.279 3.463 20 0 GGADMN C[C@H](NC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1=CC[N@@H+](C)CC1 ZINC000481561101 567688526 /nfs/dbraw/zinc/68/85/26/567688526.db2.gz XBKDGUXYCKWGAO-NSHDSACASA-N 0 1 377.901 3.052 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)CCO1 ZINC000666580290 567688577 /nfs/dbraw/zinc/68/85/77/567688577.db2.gz BLFZTDDIBKRQMS-CQSZACIVSA-N 0 1 382.279 3.463 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c(Cl)c1Cl ZINC000460438145 567688830 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O=S(=O)(CCNCc1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000532122343 567699079 /nfs/dbraw/zinc/69/90/79/567699079.db2.gz ZIJLLXYVWIWVCR-UHFFFAOYSA-N 0 1 375.881 3.089 20 0 GGADMN NC1(c2noc([C@@H]3CC(=O)Nc4ccc(Br)cc43)n2)CCCC1 ZINC000573247900 567699281 /nfs/dbraw/zinc/69/92/81/567699281.db2.gz SBNOGMNHIQBKGT-LLVKDONJSA-N 0 1 377.242 3.034 20 0 GGADMN O=[S@](Cc1n[nH]c(C2CC2)n1)Cc1c(F)ccc(Br)c1F ZINC000507710784 567699532 /nfs/dbraw/zinc/69/95/32/567699532.db2.gz SFKJBWFTWQGENO-NRFANRHFSA-N 0 1 376.226 3.172 20 0 GGADMN O=C(CSc1cccc2cccc(Cl)c21)N[C@@H](CO)CN1CCCC1 ZINC000646223232 567700769 /nfs/dbraw/zinc/70/07/69/567700769.db2.gz DUKMESHXLYVLQF-OAHLLOKOSA-N 0 1 378.925 3.158 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCO3)c(OC)cc1Cl ZINC000573274384 567700956 /nfs/dbraw/zinc/70/09/56/567700956.db2.gz VJBQWYJNCTZHBN-UHFFFAOYSA-N 0 1 383.853 3.483 20 0 GGADMN C[C@H]1[C@@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)C1(F)F ZINC000460761359 567700913 /nfs/dbraw/zinc/70/09/13/567700913.db2.gz 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ZINC000573570359 567723365 /nfs/dbraw/zinc/72/33/65/567723365.db2.gz CRYDMCKZOHQMPD-TVQRCGJNSA-N 0 1 380.124 3.493 20 0 GGADMN Cc1cc(C)c(NS(=O)(=O)c2cn3c(n2)CCCC3)c(Br)c1 ZINC000461172414 567723928 /nfs/dbraw/zinc/72/39/28/567723928.db2.gz YMKKKAAQXMZIDW-UHFFFAOYSA-N 0 1 384.299 3.400 20 0 GGADMN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000461208475 567724836 /nfs/dbraw/zinc/72/48/36/567724836.db2.gz SXXNDDFYXSCQJF-LBPRGKRZSA-N 0 1 382.291 3.269 20 0 GGADMN COc1ccc(CNCC(=O)Nc2ccc(Br)c(C)c2)cc1O ZINC000554386979 567725420 /nfs/dbraw/zinc/72/54/20/567725420.db2.gz FCGRFODHBQHDPY-UHFFFAOYSA-N 0 1 379.254 3.200 20 0 GGADMN COc1cc(Br)c(CNC[C@@H]2CCCN2CC(F)F)c(OC)c1 ZINC000623624888 567726867 /nfs/dbraw/zinc/72/68/67/567726867.db2.gz COEIIIPEDCJELQ-NSHDSACASA-N 0 1 393.272 3.285 20 0 GGADMN COC(=O)c1ccc(CNCC2=Cc3cc(Br)ccc3OC2)o1 ZINC000573637533 567727066 /nfs/dbraw/zinc/72/70/66/567727066.db2.gz YBMTWKZNGPKZGY-UHFFFAOYSA-N 0 1 378.222 3.394 20 0 GGADMN COC(=O)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2C)cc1Cl ZINC000508085964 567727602 /nfs/dbraw/zinc/72/76/02/567727602.db2.gz QTAUXBAHXQTNEH-UHFFFAOYSA-N 0 1 375.233 3.284 20 0 GGADMN CC(C)CC[C@@H](CO)NCc1ncc(Br)cc1Br ZINC000623647116 567727977 /nfs/dbraw/zinc/72/79/77/567727977.db2.gz ZCEQBTJHMUSLTK-NSHDSACASA-N 0 1 380.124 3.493 20 0 GGADMN COC(=O)c1cc(C)c(NS(=O)(=O)c2cn(CC(C)C)cn2)c(Cl)c1 ZINC000508092067 567728121 /nfs/dbraw/zinc/72/81/21/567728121.db2.gz BASSOAPIYQMLPX-UHFFFAOYSA-N 0 1 385.873 3.088 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCn2c(nnc2C2CCCC2)C1 ZINC000532697219 567729296 /nfs/dbraw/zinc/72/92/96/567729296.db2.gz RLUBTGZYAXQGHQ-UHFFFAOYSA-N 0 1 391.269 3.060 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H](CCO)c1ccc(Cl)cc1)c1cccs1 ZINC000554473644 567729396 /nfs/dbraw/zinc/72/93/96/567729396.db2.gz QZZWKCSRZSUUQG-HOTGVXAUSA-N 0 1 381.929 3.427 20 0 GGADMN O=S(=O)(CCc1ccccc1Br)Nc1cccc2c1OCCO2 ZINC000461338820 567729865 /nfs/dbraw/zinc/72/98/65/567729865.db2.gz BUYAEVPQQAYIMF-UHFFFAOYSA-N 0 1 398.278 3.205 20 0 GGADMN C[C@](N)(C(=O)N1CCC[C@H](OCC2CC2)C1)c1ccc(Br)cc1 ZINC000573681609 567729818 /nfs/dbraw/zinc/72/98/18/567729818.db2.gz MBKBROMZEUMLGZ-FUHWJXTLSA-N 0 1 381.314 3.041 20 0 GGADMN Cc1c(Cl)ccc2c1N(CC1=Nc3ccccc3S(=O)(=O)N1)CCC2 ZINC000532729508 567730039 /nfs/dbraw/zinc/73/00/39/567730039.db2.gz KTXAOBUALDIEHV-UHFFFAOYSA-N 0 1 375.881 3.423 20 0 GGADMN CCc1ccc([C@H](NS(=O)(=O)c2csnc2C(=O)OC)C(C)C)cc1 ZINC000443086632 567730413 /nfs/dbraw/zinc/73/04/13/567730413.db2.gz NJMCQJHPSQAYJU-OAHLLOKOSA-N 0 1 382.507 3.168 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000532712209 567730678 /nfs/dbraw/zinc/73/06/78/567730678.db2.gz URORYOYUINYQRF-ZDUSSCGKSA-N 0 1 394.269 3.110 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000532712209 567730682 /nfs/dbraw/zinc/73/06/82/567730682.db2.gz URORYOYUINYQRF-ZDUSSCGKSA-N 0 1 394.269 3.110 20 0 GGADMN C[C@H](C(=O)NCC1CCCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000597996166 567731121 /nfs/dbraw/zinc/73/11/21/567731121.db2.gz WNNUHXCBGLXYEP-CQSZACIVSA-N 0 1 397.361 3.368 20 0 GGADMN COC(=O)c1ncc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000508115411 567731952 /nfs/dbraw/zinc/73/19/52/567731952.db2.gz ILEPGZMNVQAJEA-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN O=S(=O)(N[C@@]1(C(F)(F)F)CCOC1)c1c(Cl)ccc2ccccc21 ZINC000508119986 567732132 /nfs/dbraw/zinc/73/21/32/567732132.db2.gz SPAFGWJOJANEKM-AWEZNQCLSA-N 0 1 379.787 3.493 20 0 GGADMN C[C@@H]1[C@H](NCc2cc(Br)cc(C(F)(F)F)c2)CCS1(=O)=O ZINC000623719997 567733242 /nfs/dbraw/zinc/73/32/42/567733242.db2.gz RIDZFSOUBKZITC-PRHODGIISA-N 0 1 386.233 3.133 20 0 GGADMN O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1ccc(F)cc1O ZINC000532755944 567733497 /nfs/dbraw/zinc/73/34/97/567733497.db2.gz JTJHTLFHLROBLF-UHFFFAOYSA-N 0 1 377.173 3.331 20 0 GGADMN C[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)N1CCSCC1 ZINC000532763492 567733599 /nfs/dbraw/zinc/73/35/99/567733599.db2.gz NCHKOALVMZZVHW-CRAIPNDOSA-N 0 1 381.973 3.030 20 0 GGADMN C[C@@H]1[C@H](NCc2ccc(-c3ccc(Br)cc3)o2)CCS1(=O)=O ZINC000623718341 567733913 /nfs/dbraw/zinc/73/39/13/567733913.db2.gz FHRUYZWMJILFDR-IAQYHMDHSA-N 0 1 384.295 3.374 20 0 GGADMN CC(C)(C)CN1CCC[C@H](N2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000461400091 567734755 /nfs/dbraw/zinc/73/47/55/567734755.db2.gz UELONXYWROMTNI-INIZCTEOSA-N 0 1 397.361 3.320 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@H](COC(F)F)C1)c1ccc(Cl)cc1 ZINC000554578271 567737063 /nfs/dbraw/zinc/73/70/63/567737063.db2.gz BOKQLQJPTXRMMD-SWLSCSKDSA-N 0 1 375.847 3.213 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@H](COC(F)F)C1)c1ccc(Cl)cc1 ZINC000554578272 567737340 /nfs/dbraw/zinc/73/73/40/567737340.db2.gz BOKQLQJPTXRMMD-WFASDCNBSA-N 0 1 375.847 3.213 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1CO[C@H](C)C1 ZINC000573803163 567737573 /nfs/dbraw/zinc/73/75/73/567737573.db2.gz OCDYVTOOXUQSDO-ZYHUDNBSSA-N 0 1 384.263 3.233 20 0 GGADMN CCOC(=O)c1cc2cc(NC(=O)CSc3nnc(C)[nH]3)ccc2s1 ZINC000532823921 567737649 /nfs/dbraw/zinc/73/76/49/567737649.db2.gz NTHOTVMBYRXUCQ-UHFFFAOYSA-N 0 1 376.463 3.235 20 0 GGADMN CCOC(=O)c1cc2cc(NC(=O)CSc3nc(C)n[nH]3)ccc2s1 ZINC000532823921 567737653 /nfs/dbraw/zinc/73/76/53/567737653.db2.gz NTHOTVMBYRXUCQ-UHFFFAOYSA-N 0 1 376.463 3.235 20 0 GGADMN CC[C@H](CNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)OC ZINC000461462751 567737885 /nfs/dbraw/zinc/73/78/85/567737885.db2.gz ACIUSKRKOHUIHC-CQSZACIVSA-N 0 1 382.507 3.012 20 0 GGADMN COc1c(Cl)cc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1Cl ZINC000532844364 567738448 /nfs/dbraw/zinc/73/84/48/567738448.db2.gz NIWGTRYSGDUEBD-UHFFFAOYSA-N 0 1 382.656 3.433 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000532881194 567740958 /nfs/dbraw/zinc/74/09/58/567740958.db2.gz CGKRGVAOWFGHIB-VIFPVBQESA-N 0 1 386.271 3.247 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000532881194 567740959 /nfs/dbraw/zinc/74/09/59/567740959.db2.gz CGKRGVAOWFGHIB-VIFPVBQESA-N 0 1 386.271 3.247 20 0 GGADMN COc1ccc(CNCc2ccncc2OCC[NH+](C)C)cc1Br ZINC000573878991 567741375 /nfs/dbraw/zinc/74/13/75/567741375.db2.gz IDGPJKXZLQWIMB-UHFFFAOYSA-N 0 1 394.313 3.083 20 0 GGADMN COC(=O)c1nc[nH]c1NC(=O)CCCSc1ccc(Br)cc1 ZINC000573859750 567741601 /nfs/dbraw/zinc/74/16/01/567741601.db2.gz AMEMKGZNFMVYLH-UHFFFAOYSA-N 0 1 398.282 3.470 20 0 GGADMN Cc1cc2cc(C(=O)N[C@H](CO)CN3CCCCC3)oc2c(Br)c1 ZINC000554682194 567742020 /nfs/dbraw/zinc/74/20/20/567742020.db2.gz VUSABZUNRPRTKD-AWEZNQCLSA-N 0 1 395.297 3.080 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000598141694 567742045 /nfs/dbraw/zinc/74/20/45/567742045.db2.gz ZWOPBAYLODUDNT-CQSZACIVSA-N 0 1 397.361 3.462 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCc2cc(F)c(Cl)cc21)NCc1ccccc1 ZINC000623874516 567743225 /nfs/dbraw/zinc/74/32/25/567743225.db2.gz KNNXCRIFRVXCJP-GOSISDBHSA-N 0 1 382.888 3.176 20 0 GGADMN CN(Cc1cccc(Cl)c1Cl)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000508321508 567743343 /nfs/dbraw/zinc/74/33/43/567743343.db2.gz ZJYBGBHAEZXGHC-UHFFFAOYSA-N 0 1 384.288 3.447 20 0 GGADMN COc1ccc(C)cc1CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000554720180 567744097 /nfs/dbraw/zinc/74/40/97/567744097.db2.gz WOXFZEGEIGCRKI-MRXNPFEDSA-N 0 1 380.535 3.008 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2nc(C)cs2)s1 ZINC000623886548 567744526 /nfs/dbraw/zinc/74/45/26/567744526.db2.gz DMYREPSXOBBKBA-CYBMUJFWSA-N 0 1 387.596 3.437 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000573919188 567744683 /nfs/dbraw/zinc/74/46/83/567744683.db2.gz UKGJJRXKLXNYLZ-LLVKDONJSA-N 0 1 386.290 3.024 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)c(Cl)c1 ZINC000554730494 567745021 /nfs/dbraw/zinc/74/50/21/567745021.db2.gz DBZHHIWVIXYDCE-UHFFFAOYSA-N 0 1 381.885 3.454 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1c1ccc(Br)cc1 ZINC000573928276 567745268 /nfs/dbraw/zinc/74/52/68/567745268.db2.gz ZOFMWNYUQPNJOM-UONOGXRCSA-N 0 1 392.253 3.010 20 0 GGADMN CN(CCc1ccc(Br)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000532961446 567746071 /nfs/dbraw/zinc/74/60/71/567746071.db2.gz NBBRSCCEMMCEMR-UHFFFAOYSA-N 0 1 379.273 3.379 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1C ZINC000667422925 567746667 /nfs/dbraw/zinc/74/66/67/567746667.db2.gz BWNQGXCBDWHJFB-KRWDZBQOSA-N 0 1 395.341 3.393 20 0 GGADMN CC(C)CCO[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533025689 567746725 /nfs/dbraw/zinc/74/67/25/567746725.db2.gz YFJNENHPCSQARR-MRXNPFEDSA-N 0 1 394.313 3.094 20 0 GGADMN CN(C)C(=O)CCN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443328731 567748362 /nfs/dbraw/zinc/74/83/62/567748362.db2.gz KGPLPPNCLXNKLQ-AWEZNQCLSA-N 0 1 393.285 3.114 20 0 GGADMN Brc1cnc2c(c1)nccc2N1CCC[C@H](N2CCOCC2)CC1 ZINC000573981437 567748299 /nfs/dbraw/zinc/74/82/99/567748299.db2.gz PZWBJHUBQWQPBF-HNNXBMFYSA-N 0 1 391.313 3.083 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1ccc(Br)cc1F ZINC000461796006 567749837 /nfs/dbraw/zinc/74/98/37/567749837.db2.gz MYJHYVXXXGNYKB-GFCCVEGCSA-N 0 1 384.293 3.386 20 0 GGADMN Brc1ccccc1CCc1noc(CCCCc2cn[nH]n2)n1 ZINC000554807620 567750290 /nfs/dbraw/zinc/75/02/90/567750290.db2.gz JKTJHHROAPXQIL-UHFFFAOYSA-N 0 1 376.258 3.301 20 0 GGADMN COc1cc(C)ccc1CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000574030226 567750527 /nfs/dbraw/zinc/75/05/27/567750527.db2.gz IFJSRNQURDVPAE-MRXNPFEDSA-N 0 1 380.535 3.008 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1ccccc1)c1ccc(Br)s1 ZINC000443350832 567750449 /nfs/dbraw/zinc/75/04/49/567750449.db2.gz YSSIUCFRYITSDF-GFCCVEGCSA-N 0 1 383.311 3.356 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCOc2ccc(Br)cc2)O1 ZINC000554835641 567751525 /nfs/dbraw/zinc/75/15/25/567751525.db2.gz KWRKPDNICGNNAP-YYQUZTFQSA-N 0 1 398.297 3.011 20 0 GGADMN C[C@H](C(=O)N1CCC(Oc2cccc(Br)c2)CC1)N1CC(C)C1 ZINC000646957838 567751684 /nfs/dbraw/zinc/75/16/84/567751684.db2.gz OBVMMPIEHNOCDZ-CQSZACIVSA-N 0 1 381.314 3.159 20 0 GGADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000646951455 567752264 /nfs/dbraw/zinc/75/22/64/567752264.db2.gz ZAMGFVYOQYGVBW-BXUZGUMPSA-N 0 1 382.291 3.404 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000646951456 567752432 /nfs/dbraw/zinc/75/24/32/567752432.db2.gz ZAMGFVYOQYGVBW-FZMZJTMJSA-N 0 1 382.291 3.404 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CN(C)[C@H](C)CO ZINC000554883957 567753952 /nfs/dbraw/zinc/75/39/52/567753952.db2.gz SCALXKIHAAWVMY-SECBINFHSA-N 0 1 381.108 3.423 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)o1 ZINC000533165954 567755180 /nfs/dbraw/zinc/75/51/80/567755180.db2.gz DXIGXBILKZTGPW-UHFFFAOYSA-N 0 1 388.239 3.246 20 0 GGADMN O=C1NCCN1[C@@H]1CCCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC000667535145 567755675 /nfs/dbraw/zinc/75/56/75/567755675.db2.gz ZPTPAYFCOWKRHX-CQSZACIVSA-N 0 1 378.270 3.185 20 0 GGADMN CCC[C@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OCC ZINC000624051248 567755763 /nfs/dbraw/zinc/75/57/63/567755763.db2.gz WXZZPZSJVMZDIT-WDEREUQCSA-N 0 1 383.341 3.497 20 0 GGADMN CC(C)OC(=O)c1ccc(CN(C)CCn2cc(Br)cn2)cc1 ZINC000574116363 567755777 /nfs/dbraw/zinc/75/57/77/567755777.db2.gz ANDNHCDZNPSYHV-UHFFFAOYSA-N 0 1 380.286 3.343 20 0 GGADMN CC[C@@]1(CNCc2c(Br)c(C)nn2C)OCCc2ccccc21 ZINC000574123627 567757527 /nfs/dbraw/zinc/75/75/27/567757527.db2.gz VGYWKWULNUZNLS-SFHVURJKSA-N 0 1 378.314 3.459 20 0 GGADMN CCCN(C(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl)[C@H]1CCN(C)C1 ZINC000647045735 567757827 /nfs/dbraw/zinc/75/78/27/567757827.db2.gz ZUJWJRIIHHMZGF-OLZOCXBDSA-N 0 1 386.323 3.113 20 0 GGADMN COc1cc(Br)c(CNCCNc2cccc(C)n2)c(OC)c1 ZINC000533187830 567758180 /nfs/dbraw/zinc/75/81/80/567758180.db2.gz TVHQHAZBMOGIJT-UHFFFAOYSA-N 0 1 380.286 3.371 20 0 GGADMN C[NH+](C)Cc1cnc(CN=c2[n-]nc(SCc3ccccc3)s2)s1 ZINC000508625446 567758392 /nfs/dbraw/zinc/75/83/92/567758392.db2.gz MHQISIHYMUVZDQ-UHFFFAOYSA-N 0 1 377.564 3.383 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000574135259 567758846 /nfs/dbraw/zinc/75/88/46/567758846.db2.gz BOJNDEQFONRHDF-JGPRNRPPSA-N 0 1 381.274 3.081 20 0 GGADMN CC1(C)C[C@]1(C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000598385504 567759744 /nfs/dbraw/zinc/75/97/44/567759744.db2.gz KBVRUQZJBOGKFS-INIZCTEOSA-N 0 1 396.228 3.051 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccsc1)N1CCN(Cc2ccsc2)CC1 ZINC000533238862 567760482 /nfs/dbraw/zinc/76/04/82/567760482.db2.gz ZSFYBPCKOFNNDW-GOSISDBHSA-N 0 1 375.563 3.291 20 0 GGADMN O=S(=O)(c1cc(Br)sc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000533229564 567760760 /nfs/dbraw/zinc/76/07/60/567760760.db2.gz BSRGUPYFPXAEPZ-VIFPVBQESA-N 0 1 399.763 3.023 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(F)cc1Br ZINC000624136593 567761917 /nfs/dbraw/zinc/76/19/17/567761917.db2.gz OJOMLVRXBVCKMV-COLVAYQJSA-N 0 1 393.322 3.099 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cc(Br)c(=O)[nH]c1C)c1ccco1 ZINC000508687273 567762186 /nfs/dbraw/zinc/76/21/86/567762186.db2.gz BZJAFCDNETVOBM-AWEZNQCLSA-N 0 1 396.285 3.264 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cccc(Br)c2OC(F)F)[C@H]1OC ZINC000508714588 567763048 /nfs/dbraw/zinc/76/30/48/567763048.db2.gz HMESLRVGHWFKHM-OUCADQQQSA-N 0 1 380.229 3.333 20 0 GGADMN COc1cc(C)c(Br)cc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000647130397 567763124 /nfs/dbraw/zinc/76/31/24/567763124.db2.gz YHYCUDLSGDJAMB-CQSZACIVSA-N 0 1 380.304 3.179 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000624137625 567763131 /nfs/dbraw/zinc/76/31/31/567763131.db2.gz QBNHNFBTCNCACY-LERXQTSPSA-N 0 1 396.887 3.452 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1F ZINC000624137819 567763182 /nfs/dbraw/zinc/76/31/82/567763182.db2.gz WDVFZQDCHBRPOC-COLVAYQJSA-N 0 1 393.322 3.099 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Br)ccc1F ZINC000624137708 567763378 /nfs/dbraw/zinc/76/33/78/567763378.db2.gz SDTXUNILJNJHRM-VCTAVGKDSA-N 0 1 393.322 3.099 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(Br)cc1F ZINC000624137820 567763425 /nfs/dbraw/zinc/76/34/25/567763425.db2.gz WDVFZQDCHBRPOC-VCTAVGKDSA-N 0 1 393.322 3.099 20 0 GGADMN CCOCCN1CCN(c2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443516073 567763505 /nfs/dbraw/zinc/76/35/05/567763505.db2.gz DDOPGSFOOHRRHJ-UHFFFAOYSA-N 0 1 382.277 3.295 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(Br)c3)c2)CC1 ZINC000462061474 567763662 /nfs/dbraw/zinc/76/36/62/567763662.db2.gz NMMYLGILERNGMU-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN CN(CC1CC[NH+](C)CC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000555024602 567764413 /nfs/dbraw/zinc/76/44/13/567764413.db2.gz XHBILUAZXZSMOH-UHFFFAOYSA-N 0 1 392.297 3.117 20 0 GGADMN Brc1cc(/C=C\c2nc([C@@H]3CCCN3)no2)cc2c1OCCO2 ZINC000647149403 567764676 /nfs/dbraw/zinc/76/46/76/567764676.db2.gz LHULKBDLWOCOGB-MVZIDQBPSA-N 0 1 378.226 3.198 20 0 GGADMN CCn1c(SCc2nc(C3(N)CCCC3)no2)nnc1-c1cccs1 ZINC000647137700 567764753 /nfs/dbraw/zinc/76/47/53/567764753.db2.gz HFQPGIXNXLURFP-UHFFFAOYSA-N 0 1 376.511 3.430 20 0 GGADMN Clc1ccc([C@@H](c2nc([C@H]3CCCN3)no2)N2CCOCC2)c(Cl)c1 ZINC000647149795 567764856 /nfs/dbraw/zinc/76/48/56/567764856.db2.gz SECMSUXXGMPRDW-CABCVRRESA-N 0 1 383.279 3.223 20 0 GGADMN O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443533149 567765470 /nfs/dbraw/zinc/76/54/70/567765470.db2.gz UQOGKZJTVSYERV-GFCCVEGCSA-N 0 1 385.379 3.468 20 0 GGADMN COC(=O)CCC1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000533344554 567765686 /nfs/dbraw/zinc/76/56/86/567765686.db2.gz OFKGRTYSMQYAKT-CYBMUJFWSA-N 0 1 397.313 3.441 20 0 GGADMN Brc1ccc(C2(c3nc([C@@H]4CCCN4)no3)CCOCC2)cc1 ZINC000647150687 567765959 /nfs/dbraw/zinc/76/59/59/567765959.db2.gz LNLPQMQPOHYXNR-AWEZNQCLSA-N 0 1 378.270 3.353 20 0 GGADMN Brc1csc(-c2noc(CCc3nc([C@H]4CCCN4)no3)n2)c1 ZINC000647152041 567765977 /nfs/dbraw/zinc/76/59/77/567765977.db2.gz VZKDYRSMVHJIQH-SECBINFHSA-N 0 1 396.270 3.153 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccccc1Br)c1nc([C@@H]2CCCN2)no1 ZINC000647155543 567765996 /nfs/dbraw/zinc/76/59/96/567765996.db2.gz AEMINFCGMQAXSN-UONOGXRCSA-N 0 1 393.285 3.384 20 0 GGADMN COc1ccc(Br)cc1C(=O)CCc1nc([C@H]2CCCN2)no1 ZINC000647156154 567766100 /nfs/dbraw/zinc/76/61/00/567766100.db2.gz QOOPPSWHWDLCTA-GFCCVEGCSA-N 0 1 380.242 3.081 20 0 GGADMN COC(=O)c1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)s1 ZINC000508786544 567766769 /nfs/dbraw/zinc/76/67/69/567766769.db2.gz WNPVUDIJVLCLCL-UHFFFAOYSA-N 0 1 376.503 3.336 20 0 GGADMN Cc1cc(NC(=O)CNCc2ccc([S@@](C)=O)cc2)ccc1Br ZINC000443553157 567767176 /nfs/dbraw/zinc/76/71/76/567767176.db2.gz XJEGMXCECLCALN-HSZRJFAPSA-N 0 1 395.322 3.223 20 0 GGADMN CCN(CCc1cccs1)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000533397727 567767195 /nfs/dbraw/zinc/76/71/95/567767195.db2.gz BHIGQTUTHRDJQR-UHFFFAOYSA-N 0 1 377.579 3.018 20 0 GGADMN COc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000647187314 567767250 /nfs/dbraw/zinc/76/72/50/567767250.db2.gz JNQMIHYZGQQMRL-AWEZNQCLSA-N 0 1 386.926 3.049 20 0 GGADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000598428168 567767597 /nfs/dbraw/zinc/76/75/97/567767597.db2.gz LKDLEKZTFDURJE-BONVTDFDSA-N 0 1 384.263 3.268 20 0 GGADMN COc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000647187315 567767713 /nfs/dbraw/zinc/76/77/13/567767713.db2.gz JNQMIHYZGQQMRL-CQSZACIVSA-N 0 1 386.926 3.049 20 0 GGADMN CC[C@@H](C)NC(=O)CCNCc1cc(OC(F)F)ccc1Br ZINC000647172483 567767970 /nfs/dbraw/zinc/76/79/70/567767970.db2.gz XYIUETHXVMIEHY-SNVBAGLBSA-N 0 1 379.245 3.445 20 0 GGADMN CC(C)NC(=O)NC(=O)[C@@H](C)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000533428736 567768197 /nfs/dbraw/zinc/76/81/97/567768197.db2.gz BBLUPDJGLNCUTL-CYBMUJFWSA-N 0 1 396.329 3.035 20 0 GGADMN COc1ccccc1[C@H](N)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000647186339 567768225 /nfs/dbraw/zinc/76/82/25/567768225.db2.gz KCNMUHUVFNQGSJ-OAHLLOKOSA-N 0 1 389.304 3.121 20 0 GGADMN CC(C)COC[C@@H](O)CNCc1cc(OC(F)F)ccc1Br ZINC000647174541 567768449 /nfs/dbraw/zinc/76/84/49/567768449.db2.gz DVWYNZCKXDWHOX-LBPRGKRZSA-N 0 1 382.245 3.174 20 0 GGADMN O=C(NCCCOC(F)F)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000555109791 567769384 /nfs/dbraw/zinc/76/93/84/567769384.db2.gz AAVCTKFPYOAVBF-OAHLLOKOSA-N 0 1 375.847 3.405 20 0 GGADMN CN(Cc1cn2cc(Cl)cc(Cl)c2n1)CC(C)(C)CN1CCOCC1 ZINC000443646646 567769319 /nfs/dbraw/zinc/76/93/19/567769319.db2.gz CJBRTEBZLVGUBV-UHFFFAOYSA-N 0 1 385.339 3.431 20 0 GGADMN O=C(c1cccc(Br)c1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000533450224 567769795 /nfs/dbraw/zinc/76/97/95/567769795.db2.gz BEUGWTQOWJVFIQ-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN C[C@@H](Oc1ccccc1NS(=O)(=O)CCOCC(F)(F)F)C(F)(F)F ZINC000555128833 567770421 /nfs/dbraw/zinc/77/04/21/567770421.db2.gz GPVCXZYTRQPBNW-SECBINFHSA-N 0 1 395.321 3.337 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2Cl)cccc1N1CN=NC1=O ZINC000555126965 567770770 /nfs/dbraw/zinc/77/07/70/567770770.db2.gz JRXYDKZKAVOSEL-UHFFFAOYSA-N 0 1 399.259 3.389 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC[C@H]1CN1CCCCC1 ZINC000462099978 567771062 /nfs/dbraw/zinc/77/10/62/567771062.db2.gz UKJULUUAIGBBSS-LBPRGKRZSA-N 0 1 382.473 3.406 20 0 GGADMN FC(F)CN1CC[C@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000647218896 567771106 /nfs/dbraw/zinc/77/11/06/567771106.db2.gz QZNHRMTTWKPUEI-JTQLQIEISA-N 0 1 385.199 3.480 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2cn(C)nc2-c2ccc(C)o2)s1 ZINC000647208027 567771155 /nfs/dbraw/zinc/77/11/55/567771155.db2.gz ZTJNGFVGKSESFC-UHFFFAOYSA-N 0 1 379.507 3.133 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CC(COc2ccccc2)C1 ZINC000574308648 567771171 /nfs/dbraw/zinc/77/11/71/567771171.db2.gz IXRXFEVBXQUNJR-UHFFFAOYSA-N 0 1 386.249 3.476 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000533540275 567773735 /nfs/dbraw/zinc/77/37/35/567773735.db2.gz AADNZGWWUFHGGK-UHFFFAOYSA-N 0 1 383.853 3.247 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462109222 567773812 /nfs/dbraw/zinc/77/38/12/567773812.db2.gz DTBXOWOJLNELQA-UHFFFAOYSA-N 0 1 382.429 3.112 20 0 GGADMN CC[C@@H](C)C[C@H](CO)NCc1c(Br)cncc1Br ZINC000647244888 567773892 /nfs/dbraw/zinc/77/38/92/567773892.db2.gz KMMDYUQTJUMHCU-NXEZZACHSA-N 0 1 380.124 3.493 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2C)C[C@H]1C ZINC000574389003 567775812 /nfs/dbraw/zinc/77/58/12/567775812.db2.gz VGQKJCHZTXOUBW-CHWSQXEVSA-N 0 1 378.318 3.164 20 0 GGADMN CC1(C)SC[C@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000555232689 567776207 /nfs/dbraw/zinc/77/62/07/567776207.db2.gz KUIZOTSDBFTYJD-WCQYABFASA-N 0 1 376.341 3.151 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790793 567776252 /nfs/dbraw/zinc/77/62/52/567776252.db2.gz PLISJRDCRSYZAU-VHSXEESVSA-N 0 1 393.734 3.006 20 0 GGADMN CCO[C@H](CC)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000574421008 567776735 /nfs/dbraw/zinc/77/67/35/567776735.db2.gz QAADOFKHNKYWTH-CXAGYDPISA-N 0 1 398.345 3.343 20 0 GGADMN CCO[C@H](CC)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000574421011 567777092 /nfs/dbraw/zinc/77/70/92/567777092.db2.gz QAADOFKHNKYWTH-SUMWQHHRSA-N 0 1 398.345 3.343 20 0 GGADMN O=S(=O)(Nc1cccc(I)c1)c1cncc(Cl)c1 ZINC000533878769 567792140 /nfs/dbraw/zinc/79/21/40/567792140.db2.gz TVTQWRBRORHJHG-UHFFFAOYSA-N 0 1 394.621 3.140 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1OCC(F)F ZINC000533623227 567778083 /nfs/dbraw/zinc/77/80/83/567778083.db2.gz VFTUKCDYDLLYDQ-UHFFFAOYSA-N 0 1 377.800 3.070 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2ccc(Cl)cc2)sc1Br ZINC000443905913 567778821 /nfs/dbraw/zinc/77/88/21/567778821.db2.gz PWZZBXILZRQVEW-UHFFFAOYSA-N 0 1 381.704 3.346 20 0 GGADMN O=S(=O)(CCOCC1CC1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000574447867 567779158 /nfs/dbraw/zinc/77/91/58/567779158.db2.gz PERIODCZLSWEMN-INIZCTEOSA-N 0 1 383.901 3.110 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000533646423 567779673 /nfs/dbraw/zinc/77/96/73/567779673.db2.gz ZCWPPSTXSBMCIV-LBPRGKRZSA-N 0 1 383.279 3.344 20 0 GGADMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000533635045 567779768 /nfs/dbraw/zinc/77/97/68/567779768.db2.gz GRDJPALNPGSIMB-CQSZACIVSA-N 0 1 379.913 3.239 20 0 GGADMN CC[C@H](C)C[C@@H](CO)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647336790 567780046 /nfs/dbraw/zinc/78/00/46/567780046.db2.gz GMYOONKSNBFYQE-WHOFXGATSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1ccncc1[C@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000574470646 567780122 /nfs/dbraw/zinc/78/01/22/567780122.db2.gz ZOUUGZZPOBNEFW-LBPRGKRZSA-N 0 1 395.244 3.284 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)CC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000555354904 567780383 /nfs/dbraw/zinc/78/03/83/567780383.db2.gz ZGZOLOBFVSNOHR-CRAIPNDOSA-N 0 1 388.961 3.069 20 0 GGADMN CC(C)(CNC(=O)[C@@H]1CCCc2n[nH]nc21)c1cccc(Br)c1 ZINC000667885110 567780535 /nfs/dbraw/zinc/78/05/35/567780535.db2.gz LMTXMHIZQXTOIW-CYBMUJFWSA-N 0 1 377.286 3.081 20 0 GGADMN C[C@@H]1SCC[C@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647360423 567780734 /nfs/dbraw/zinc/78/07/34/567780734.db2.gz VELIRVTYFWAKPT-BIMULSAOSA-N 0 1 376.341 3.151 20 0 GGADMN Cn1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c(C(F)(F)F)n1 ZINC000555366124 567781319 /nfs/dbraw/zinc/78/13/19/567781319.db2.gz ZKHLRKWCLBMUNQ-RKDXNWHRSA-N 0 1 393.353 3.086 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)CC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000555354906 567781500 /nfs/dbraw/zinc/78/15/00/567781500.db2.gz ZGZOLOBFVSNOHR-QAPCUYQASA-N 0 1 388.961 3.069 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000647368071 567781743 /nfs/dbraw/zinc/78/17/43/567781743.db2.gz RVJNAIYJEAFTQG-MLGOLLRUSA-N 0 1 390.281 3.449 20 0 GGADMN CC1(C(=O)[O-])CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000647375163 567782386 /nfs/dbraw/zinc/78/23/86/567782386.db2.gz TYGVZPNCIXYASQ-UHFFFAOYSA-N 0 1 386.271 3.247 20 0 GGADMN CC1(C)CCCN(CCNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1 ZINC000443960127 567782597 /nfs/dbraw/zinc/78/25/97/567782597.db2.gz NLYARCAWUSQUAB-UHFFFAOYSA-N 0 1 378.460 3.192 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000533697322 567782741 /nfs/dbraw/zinc/78/27/41/567782741.db2.gz MHNBTGWWMIIKSK-STQMWFEESA-N 0 1 377.286 3.446 20 0 GGADMN O[C@@H](CNCc1ccc2c(n1)CCCC2)COc1cccc(Br)c1 ZINC000574512764 567782956 /nfs/dbraw/zinc/78/29/56/567782956.db2.gz WRBNSDOWAFLIFZ-KRWDZBQOSA-N 0 1 391.309 3.252 20 0 GGADMN NC(=O)c1cnccc1N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000624474417 567783068 /nfs/dbraw/zinc/78/30/68/567783068.db2.gz GJKZBYZFXBOBHO-ZDUSSCGKSA-N 0 1 378.295 3.314 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000574524074 567783305 /nfs/dbraw/zinc/78/33/05/567783305.db2.gz ZLJZXFUWOYHJLM-MRXNPFEDSA-N 0 1 387.307 3.431 20 0 GGADMN Cc1ccc(CNCc2c(C3CC3)nc3sccn23)cc1S(C)(=O)=O ZINC000443980717 567783739 /nfs/dbraw/zinc/78/37/39/567783739.db2.gz BEIPQIHNWAEQEB-UHFFFAOYSA-N 0 1 375.519 3.275 20 0 GGADMN O=C(CCNC(=O)c1[nH]nc2c1CCCC2)Nc1cc(Cl)cc(Cl)c1 ZINC000647427256 567784432 /nfs/dbraw/zinc/78/44/32/567784432.db2.gz ONHIKNXOMGHCEX-UHFFFAOYSA-N 0 1 381.263 3.354 20 0 GGADMN COC1(CCN(CCNC(C)=O)Cc2ccc(Br)s2)CCC1 ZINC000555461939 567784938 /nfs/dbraw/zinc/78/49/38/567784938.db2.gz FBKAWLFHBMCVLO-UHFFFAOYSA-N 0 1 389.359 3.408 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(Br)c2F)C[C@H](C)O1 ZINC000667925161 567784949 /nfs/dbraw/zinc/78/49/49/567784949.db2.gz MSOOZLTVHCNILO-TXEJJXNPSA-N 0 1 388.281 3.209 20 0 GGADMN C[C@@H]1CC[N@H+](CCNCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667934637 567785056 /nfs/dbraw/zinc/78/50/56/567785056.db2.gz RDCQYVJYTRVEJV-SNVBAGLBSA-N 0 1 392.135 3.349 20 0 GGADMN C[C@@H]1CC[N@@H+](CCNCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000667934637 567785060 /nfs/dbraw/zinc/78/50/60/567785060.db2.gz RDCQYVJYTRVEJV-SNVBAGLBSA-N 0 1 392.135 3.349 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1 ZINC000598729296 567786087 /nfs/dbraw/zinc/78/60/87/567786087.db2.gz OJHIFIURCYXDLD-UHFFFAOYSA-N 0 1 396.241 3.145 20 0 GGADMN C[C@@H](NCCN1CCN(c2ccccc2)CC1)c1ncc(Br)s1 ZINC000533783323 567786518 /nfs/dbraw/zinc/78/65/18/567786518.db2.gz LGLICVSOSQRWRK-CQSZACIVSA-N 0 1 395.370 3.378 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000555524630 567786715 /nfs/dbraw/zinc/78/67/15/567786715.db2.gz KIYBHAZUCDQKOP-SECBINFHSA-N 0 1 386.235 3.256 20 0 GGADMN O=S(=O)(Nc1cccc(CN2CCSCC2)c1)c1cncc(Cl)c1 ZINC000444038770 567787098 /nfs/dbraw/zinc/78/70/98/567787098.db2.gz QPIOEYSLJHLSAE-UHFFFAOYSA-N 0 1 383.926 3.085 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000555524631 567787203 /nfs/dbraw/zinc/78/72/03/567787203.db2.gz KIYBHAZUCDQKOP-VIFPVBQESA-N 0 1 386.235 3.256 20 0 GGADMN CSc1ccccc1S(=O)(=O)NCC1(N2CCSCC2)CCCC1 ZINC000444060107 567787562 /nfs/dbraw/zinc/78/75/62/567787562.db2.gz XQOIWPKGEKGDMN-UHFFFAOYSA-N 0 1 386.608 3.048 20 0 GGADMN COC(C)(C)C[C@@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533801841 567787622 /nfs/dbraw/zinc/78/76/22/567787622.db2.gz LJYLPGPYVBDWJS-MRVPVSSYSA-N 0 1 386.258 3.209 20 0 GGADMN CSCc1cnc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)s1 ZINC000555537092 567787733 /nfs/dbraw/zinc/78/77/33/567787733.db2.gz JZYPSLYABKIOFY-SFHVURJKSA-N 0 1 376.595 3.084 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1Br ZINC000444060692 567788080 /nfs/dbraw/zinc/78/80/80/567788080.db2.gz WMGXLBUQSVSDMF-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN CNC(=O)[C@H](CCSC)NCc1ccc(Br)cc1C(F)(F)F ZINC000574626226 567788227 /nfs/dbraw/zinc/78/82/27/567788227.db2.gz AXDUFPPXGWWCIQ-LBPRGKRZSA-N 0 1 399.276 3.425 20 0 GGADMN Cc1ccc(-n2cnnc2)c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000574629177 567788966 /nfs/dbraw/zinc/78/89/66/567788966.db2.gz VNCVGAMVWLMNFV-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN COC1(C(F)(F)F)CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000668025121 567789758 /nfs/dbraw/zinc/78/97/58/567789758.db2.gz JOMPHIPCGBPGRV-UHFFFAOYSA-N 0 1 382.176 3.338 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CN(C)[C@H]2CCSC2)C1 ZINC000533873858 567790855 /nfs/dbraw/zinc/79/08/55/567790855.db2.gz FTZSOUGCHOOAFH-RDJZCZTQSA-N 0 1 381.973 3.028 20 0 GGADMN Nc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cn1 ZINC000647537922 567791271 /nfs/dbraw/zinc/79/12/71/567791271.db2.gz YJJNAFKYBLCPMF-UHFFFAOYSA-N 0 1 389.297 3.107 20 0 GGADMN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ncc(CSC)s2)s1 ZINC000555586844 567791634 /nfs/dbraw/zinc/79/16/34/567791634.db2.gz GZGBUKGYMPPBRX-NXEZZACHSA-N 0 1 385.584 3.173 20 0 GGADMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1c(Br)cncc1Br ZINC000574682415 567791663 /nfs/dbraw/zinc/79/16/63/567791663.db2.gz ODGHVLUDMBPESD-YMTOWFKASA-N 0 1 389.135 3.179 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000533896701 567791906 /nfs/dbraw/zinc/79/19/06/567791906.db2.gz ILKFAABDBCSBEW-UHFFFAOYSA-N 0 1 381.837 3.438 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1F)c1ccc(Cl)c(F)c1 ZINC000533910737 567792835 /nfs/dbraw/zinc/79/28/35/567792835.db2.gz LIYSDESRVTYHHF-HNNXBMFYSA-N 0 1 389.807 3.119 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1F)c1ccc(Cl)c(F)c1 ZINC000533910738 567792869 /nfs/dbraw/zinc/79/28/69/567792869.db2.gz LIYSDESRVTYHHF-OAHLLOKOSA-N 0 1 389.807 3.119 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000668042301 567793161 /nfs/dbraw/zinc/79/31/61/567793161.db2.gz PINCWOTUTHNYJE-ZDUSSCGKSA-N 0 1 377.286 3.125 20 0 GGADMN Cc1nc2ccc(NC(=O)c3ccc(Br)cc3-n3cncn3)cc2[nH]1 ZINC000533932469 567794046 /nfs/dbraw/zinc/79/40/46/567794046.db2.gz XWCOARKARZCUSW-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN CC(C)(C)N1C[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)CC1=O ZINC000533968307 567794943 /nfs/dbraw/zinc/79/49/43/567794943.db2.gz HAJFTBJGWISBGY-MRVPVSSYSA-N 0 1 389.677 3.394 20 0 GGADMN COc1ccc(CNCCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000555708456 567795532 /nfs/dbraw/zinc/79/55/32/567795532.db2.gz LBDZLHKAWWUNCM-UHFFFAOYSA-N 0 1 384.295 3.021 20 0 GGADMN O=C(CCc1cccc(Br)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000647666531 567795830 /nfs/dbraw/zinc/79/58/30/567795830.db2.gz QMJBOCJUXLEYOP-GOSISDBHSA-N 0 1 395.341 3.095 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccsc1 ZINC000444196854 567795903 /nfs/dbraw/zinc/79/59/03/567795903.db2.gz NFLAPRGDFYJNNC-LBPRGKRZSA-N 0 1 397.371 3.099 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000647666460 567796246 /nfs/dbraw/zinc/79/62/46/567796246.db2.gz OHRCHENTOHBRJY-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1SC)c1ccc(C)c(C)c1 ZINC000444201166 567796320 /nfs/dbraw/zinc/79/63/20/567796320.db2.gz TVSUZRCHDVZQOZ-KRWDZBQOSA-N 0 1 379.503 3.218 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1SC)c1ccc(F)c(C)c1 ZINC000444203074 567796911 /nfs/dbraw/zinc/79/69/11/567796911.db2.gz VTNODYZAAMBRKJ-INIZCTEOSA-N 0 1 383.466 3.049 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccccc1SC)c1ccc(F)c(C)c1 ZINC000444203075 567797158 /nfs/dbraw/zinc/79/71/58/567797158.db2.gz VTNODYZAAMBRKJ-MRXNPFEDSA-N 0 1 383.466 3.049 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000444208491 567797396 /nfs/dbraw/zinc/79/73/96/567797396.db2.gz ANSLARJZXFLQRT-JTQLQIEISA-N 0 1 387.303 3.039 20 0 GGADMN Cc1cocc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000624721552 567798260 /nfs/dbraw/zinc/79/82/60/567798260.db2.gz KWICAXQKSRZZDU-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN CCC[C@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1nn[nH]n1 ZINC000444267230 567798987 /nfs/dbraw/zinc/79/89/87/567798987.db2.gz GIPMOGOAUBYVET-QMMMGPOBSA-N 0 1 376.617 3.026 20 0 GGADMN Cc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2Br)c(C)cn1 ZINC000574835859 567800201 /nfs/dbraw/zinc/80/02/01/567800201.db2.gz RZJFHNCLIHDQDI-UHFFFAOYSA-N 0 1 389.702 3.478 20 0 GGADMN OCc1cn([C@@H]2CCCN(Cc3cc4cc(Br)ccc4o3)C2)nn1 ZINC000668194686 567800412 /nfs/dbraw/zinc/80/04/12/567800412.db2.gz MFUTYZANRGORHN-OAHLLOKOSA-N 0 1 391.269 3.116 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1 ZINC000647762872 567800751 /nfs/dbraw/zinc/80/07/51/567800751.db2.gz XVVBEKPEKHWVIG-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@H]1COCCN1C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000647764219 567800759 /nfs/dbraw/zinc/80/07/59/567800759.db2.gz TZJUTSOKZKNQRA-ZDUSSCGKSA-N 0 1 387.307 3.084 20 0 GGADMN C[C@@H]1COCCN1C1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000647764177 567800833 /nfs/dbraw/zinc/80/08/33/567800833.db2.gz SHQKXJAKCBSIPZ-OAHLLOKOSA-N 0 1 395.341 3.093 20 0 GGADMN Cc1csc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1Br ZINC000647765042 567800844 /nfs/dbraw/zinc/80/08/44/567800844.db2.gz DNIDKGBXADVFBZ-LBPRGKRZSA-N 0 1 387.343 3.144 20 0 GGADMN Cc1cccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1Br ZINC000647762483 567800912 /nfs/dbraw/zinc/80/09/12/567800912.db2.gz FUBWYAPSAISINB-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1Br ZINC000647763389 567801184 /nfs/dbraw/zinc/80/11/84/567801184.db2.gz ARXQSBLAQNOLDL-ZDUSSCGKSA-N 0 1 399.304 3.222 20 0 GGADMN C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)CC(C)(C)CO ZINC000668207654 567801278 /nfs/dbraw/zinc/80/12/78/567801278.db2.gz OGUDTKAKMUTKEE-UHFFFAOYSA-N 0 1 381.108 3.368 20 0 GGADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1n[nH]c2cc(O)ccc21 ZINC000647803174 567802406 /nfs/dbraw/zinc/80/24/06/567802406.db2.gz FXACHOMBTXVYFE-UHFFFAOYSA-N 0 1 376.203 3.404 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891199 567803105 /nfs/dbraw/zinc/80/31/05/567803105.db2.gz MJYHTRAQVWDADY-YUMQZZPRSA-N 0 1 382.433 3.438 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)C1=Cc2cc(Br)ccc2OC1 ZINC000534199237 567803296 /nfs/dbraw/zinc/80/32/96/567803296.db2.gz GKDSZRLKHCNSHC-UHFFFAOYSA-N 0 1 387.193 3.242 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cnc2ccccn2c1=O ZINC000534208023 567803377 /nfs/dbraw/zinc/80/33/77/567803377.db2.gz YLZADDXVFXCVTQ-UHFFFAOYSA-N 0 1 394.612 3.068 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCCc2ccc(Br)cc2)n[nH]1 ZINC000534225398 567804122 /nfs/dbraw/zinc/80/41/22/567804122.db2.gz KMMMJKYWZOSUGX-NSHDSACASA-N 0 1 380.290 3.294 20 0 GGADMN NC(=O)[C@@H](NCCc1ccc(OC(F)F)cc1)c1cccc(Br)c1 ZINC000534260776 567804532 /nfs/dbraw/zinc/80/45/32/567804532.db2.gz WMVQBCBLBDZLMH-HNNXBMFYSA-N 0 1 399.235 3.409 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000534241756 567805161 /nfs/dbraw/zinc/80/51/61/567805161.db2.gz LTMHZWDSTOTCGR-VIFPVBQESA-N 0 1 397.913 3.184 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000534242948 567805241 /nfs/dbraw/zinc/80/52/41/567805241.db2.gz MJAAAHUGUSJJCM-ZETCQYMHSA-N 0 1 382.795 3.079 20 0 GGADMN CN(CCCn1cc[nH+]c1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000574966509 567806213 /nfs/dbraw/zinc/80/62/13/567806213.db2.gz NHKLZGUDPMDWHW-UHFFFAOYSA-N 0 1 389.253 3.062 20 0 GGADMN COc1ccc([C@@H](CCO)NC(=O)c2cccc(Br)c2O)cc1 ZINC000534290591 567806524 /nfs/dbraw/zinc/80/65/24/567806524.db2.gz WPWAOCQEIDWENA-OAHLLOKOSA-N 0 1 380.238 3.017 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000444537886 567807307 /nfs/dbraw/zinc/80/73/07/567807307.db2.gz AGTYJJLBJJQLBF-LLVKDONJSA-N 0 1 378.822 3.276 20 0 GGADMN C[C@@H]1CN(C(=O)Cc2csc3ccc(Cl)cc23)CCN1CC(C)(C)O ZINC000444546870 567807523 /nfs/dbraw/zinc/80/75/23/567807523.db2.gz IFEPDXIBYFEWSX-CYBMUJFWSA-N 0 1 380.941 3.401 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CCN1CC(C)(C)O ZINC000444550063 567808083 /nfs/dbraw/zinc/80/80/83/567808083.db2.gz MJYCVZNXCAQYBT-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574995585 567808347 /nfs/dbraw/zinc/80/83/47/567808347.db2.gz HAXUIKGQCHKGAB-RISCZKNCSA-N 0 1 379.258 3.137 20 0 GGADMN C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574995585 567808349 /nfs/dbraw/zinc/80/83/49/567808349.db2.gz HAXUIKGQCHKGAB-RISCZKNCSA-N 0 1 379.258 3.137 20 0 GGADMN COc1ccnc(N2CCN(c3noc4ccc(Br)cc43)CC2)c1 ZINC000574994579 567808380 /nfs/dbraw/zinc/80/83/80/567808380.db2.gz ADDFMAWDJISHII-UHFFFAOYSA-N 0 1 389.253 3.321 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cnc(C2CCCCC2)s1 ZINC000534335893 567808522 /nfs/dbraw/zinc/80/85/22/567808522.db2.gz XUHMVDCRHHBKLG-INIZCTEOSA-N 0 1 385.599 3.485 20 0 GGADMN C[C@@](CO)(NCC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000599173783 567808543 /nfs/dbraw/zinc/80/85/43/567808543.db2.gz YDQURZSXKARMCP-KRWDZBQOSA-N 0 1 381.245 3.024 20 0 GGADMN C[C@H](NC(=O)CN[C@@](C)(CO)c1ccccc1)c1ccc(Br)cc1 ZINC000599173370 567808594 /nfs/dbraw/zinc/80/85/94/567808594.db2.gz VLJPGOJGZREVLI-LIRRHRJNSA-N 0 1 391.309 3.124 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN[C@](C)(CO)c1ccccc1 ZINC000599181413 567809405 /nfs/dbraw/zinc/80/94/05/567809405.db2.gz ZUECTPMFJMBJBN-GOSISDBHSA-N 0 1 377.282 3.193 20 0 GGADMN C[C@@]1(CO)CCC[C@H]1NCc1c(Br)cncc1Br ZINC000575034949 567809686 /nfs/dbraw/zinc/80/96/86/567809686.db2.gz JGWKBJPYRZXARX-OLZOCXBDSA-N 0 1 378.108 3.247 20 0 GGADMN O[C@@H](CN[C@@H]1CCOc2ccc(F)cc21)COc1cccc(Br)c1 ZINC000575053809 567810339 /nfs/dbraw/zinc/81/03/39/567810339.db2.gz ZMCMTZCQTKJRIF-WMLDXEAASA-N 0 1 396.256 3.441 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(OC(F)F)ccc2Br)[C@@H]1OC ZINC000648024049 567810732 /nfs/dbraw/zinc/81/07/32/567810732.db2.gz YGYRMOZUTUCYMT-MCIONIFRSA-N 0 1 380.229 3.333 20 0 GGADMN O=S(=O)([C@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1)N1CCCC1 ZINC000444654795 567810690 /nfs/dbraw/zinc/81/06/90/567810690.db2.gz ZXYSRDWNDRCCTM-SFHVURJKSA-N 0 1 376.547 3.415 20 0 GGADMN CNC(=O)[C@H]1CCCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648008741 567810975 /nfs/dbraw/zinc/81/09/75/567810975.db2.gz XCILCVOIWOXOGB-JTQLQIEISA-N 0 1 377.229 3.009 20 0 GGADMN COC1([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000575065450 567811369 /nfs/dbraw/zinc/81/13/69/567811369.db2.gz LGNGHIFSJNQMQX-CMPLNLGQSA-N 0 1 378.416 3.364 20 0 GGADMN COC1([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000575065453 567811406 /nfs/dbraw/zinc/81/14/06/567811406.db2.gz LGNGHIFSJNQMQX-ZYHUDNBSSA-N 0 1 378.416 3.364 20 0 GGADMN OCCN(Cc1cc(OC(F)F)ccc1Br)C1CCOCC1 ZINC000648027271 567811579 /nfs/dbraw/zinc/81/15/79/567811579.db2.gz BYCCBKIODJJYPK-UHFFFAOYSA-N 0 1 380.229 3.024 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000534441944 567812214 /nfs/dbraw/zinc/81/22/14/567812214.db2.gz SWCHJEOHTGGBKU-MUWPTIGNSA-N 0 1 379.551 3.149 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000534441942 567812493 /nfs/dbraw/zinc/81/24/93/567812493.db2.gz SWCHJEOHTGGBKU-GMWDSFAXSA-N 0 1 379.551 3.149 20 0 GGADMN O=C(NCc1ccccc1)[C@@H]1CCN(Cc2cccc(O)c2Br)C1 ZINC000648066584 567812552 /nfs/dbraw/zinc/81/25/52/567812552.db2.gz LJDCETLDFKRMII-MRXNPFEDSA-N 0 1 389.293 3.293 20 0 GGADMN Fc1c(F)c(CNC[C@@H]2CNc3ccnn3C2)c(F)c(F)c1Br ZINC000648045178 567812557 /nfs/dbraw/zinc/81/25/57/567812557.db2.gz AWKWLYSMNYAWPU-SSDOTTSWSA-N 0 1 393.182 3.034 20 0 GGADMN C[C@@H](CNC(=O)[C@H]1CCCc2n[nH]nc21)Sc1ccc(Br)cc1 ZINC000668528690 567812980 /nfs/dbraw/zinc/81/29/80/567812980.db2.gz RZCFVEDYLSUWSQ-GWCFXTLKSA-N 0 1 395.326 3.284 20 0 GGADMN C[C@H](CNC(=O)[C@H]1CCCc2n[nH]nc21)Sc1ccc(Br)cc1 ZINC000668528693 567813018 /nfs/dbraw/zinc/81/30/18/567813018.db2.gz RZCFVEDYLSUWSQ-MFKMUULPSA-N 0 1 395.326 3.284 20 0 GGADMN C[C@@H](Cc1ccncc1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000534509609 567813137 /nfs/dbraw/zinc/81/31/37/567813137.db2.gz KJXYHOBHZZQZGZ-VIFPVBQESA-N 0 1 391.237 3.032 20 0 GGADMN Cc1c(Br)cc(CN(C)C[C@@H]2COCCO2)cc1Br ZINC000668546894 567813166 /nfs/dbraw/zinc/81/31/66/567813166.db2.gz KZALAGYAHAXNBF-GFCCVEGCSA-N 0 1 393.119 3.367 20 0 GGADMN C[C@](N)(C(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccccc1 ZINC000648102091 567813657 /nfs/dbraw/zinc/81/36/57/567813657.db2.gz TXCXZVRXWAIITH-GOSISDBHSA-N 0 1 377.257 3.347 20 0 GGADMN Cn1ccnc1[C@H]1CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000534579512 567814425 /nfs/dbraw/zinc/81/44/25/567814425.db2.gz SHPLHGQGXUQEDU-LBPRGKRZSA-N 0 1 388.269 3.222 20 0 GGADMN C[C@@H]1CC2(CN1C(=O)[C@@](C)(N)c1ccc(Br)cc1)CCOCC2 ZINC000648204546 567815341 /nfs/dbraw/zinc/81/53/41/567815341.db2.gz AFPFVJYBKMQKQL-DYVFJYSZSA-N 0 1 381.314 3.041 20 0 GGADMN COc1ccc2oc([C@@H](C)NC(=O)c3nnc4ccccc4c3O)c(C)c2c1 ZINC000111614597 570218439 /nfs/dbraw/zinc/21/84/39/570218439.db2.gz VTUMJWRTGMVLFY-GFCCVEGCSA-N 0 1 377.400 3.477 20 0 GGADMN CC(C)n1ncc2cc(NC(=O)NC3CCN(Cc4ccccn4)CC3)cnc21 ZINC000048287179 570227609 /nfs/dbraw/zinc/22/76/09/570227609.db2.gz GNIHEJUTROIUBQ-UHFFFAOYSA-N 0 1 393.495 3.193 20 0 GGADMN COC(=O)c1cc(NC(=O)NC[C@@H](c2cccs2)N(C)C)c(F)cc1F ZINC000048301183 570234599 /nfs/dbraw/zinc/23/45/99/570234599.db2.gz FPAWRVWDOYKPDT-AWEZNQCLSA-N 0 1 383.420 3.237 20 0 GGADMN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000048324666 570235863 /nfs/dbraw/zinc/23/58/63/570235863.db2.gz PBMQNOFSOIUIAP-AZUAARDMSA-N 0 1 388.508 3.024 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSc2ccc(F)c(F)c2)N(C)C)c1 ZINC000048354671 570242085 /nfs/dbraw/zinc/24/20/85/570242085.db2.gz QKJUNQLOBQTXTL-SFHVURJKSA-N 0 1 380.460 3.485 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000006141500 570276856 /nfs/dbraw/zinc/27/68/56/570276856.db2.gz CNFZNRKTBNRZJV-UHFFFAOYSA-N 0 1 385.445 3.473 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284673 570281755 /nfs/dbraw/zinc/28/17/55/570281755.db2.gz FHMGBHCNDGKOPS-MSOLQXFVSA-N 0 1 395.503 3.223 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000119825914 570305078 /nfs/dbraw/zinc/30/50/78/570305078.db2.gz ASSKMKAFWVZLEY-UHFFFAOYSA-N 0 1 388.489 3.368 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012329010 570315907 /nfs/dbraw/zinc/31/59/07/570315907.db2.gz JMLHEPMWCYIMBC-WMZOPIPTSA-N 0 1 383.467 3.181 20 0 GGADMN Cc1sc2nc([C@H](C)N3CCN(Cc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000022774383 570327052 /nfs/dbraw/zinc/32/70/52/570327052.db2.gz UOGINCKMLCSDDD-HNNXBMFYSA-N 0 1 382.533 3.480 20 0 GGADMN C[C@H](C(=O)NCc1ccco1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022799973 570328631 /nfs/dbraw/zinc/32/86/31/570328631.db2.gz SEXCJXGQSCUYTG-GOSISDBHSA-N 0 1 377.488 3.255 20 0 GGADMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000022914160 570334714 /nfs/dbraw/zinc/33/47/14/570334714.db2.gz GUWWQRDRPNCBKF-UHFFFAOYSA-N 0 1 375.875 3.278 20 0 GGADMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OC(F)F ZINC000023133654 570346041 /nfs/dbraw/zinc/34/60/41/570346041.db2.gz MQBKXAKHAXXBNR-UHFFFAOYSA-N 0 1 391.418 3.301 20 0 GGADMN COc1ccc(OC)c(CN2CCN(Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000023255004 570352699 /nfs/dbraw/zinc/35/26/99/570352699.db2.gz LHFYZZKVXSPCGT-UHFFFAOYSA-N 0 1 392.503 3.207 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000023295022 570354312 /nfs/dbraw/zinc/35/43/12/570354312.db2.gz PMHJUHQEIGJOJD-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN Cc1ccc2c(CC(=O)NCc3ccc(N4CCN(C)CC4)nc3)coc2c1C ZINC000023317882 570354630 /nfs/dbraw/zinc/35/46/30/570354630.db2.gz WTWINBRDAFVYKL-UHFFFAOYSA-N 0 1 392.503 3.055 20 0 GGADMN Cc1cccc(CN2CCN(C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2)c1 ZINC000023717681 570369924 /nfs/dbraw/zinc/36/99/24/570369924.db2.gz TYXUECYFVCKMFU-NRFANRHFSA-N 0 1 396.535 3.252 20 0 GGADMN COc1ccc(Cl)cc1CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023736854 570370932 /nfs/dbraw/zinc/37/09/32/570370932.db2.gz XKGNMSYPHDVDQB-UHFFFAOYSA-N 0 1 380.916 3.042 20 0 GGADMN O=C(CNC(=O)C1CCCCC1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023957382 570375909 /nfs/dbraw/zinc/37/59/09/570375909.db2.gz NRUAMSPYTJPJLE-UHFFFAOYSA-N 0 1 393.531 3.181 20 0 GGADMN O=C(c1[nH]nc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000024044886 570377689 /nfs/dbraw/zinc/37/76/89/570377689.db2.gz QGRQRMXJGZPRNP-UHFFFAOYSA-N 0 1 377.473 3.131 20 0 GGADMN CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1COc2ccccc2O1 ZINC000031174342 570383144 /nfs/dbraw/zinc/38/31/44/570383144.db2.gz UXACSUKBROAOCO-MRXNPFEDSA-N 0 1 385.851 3.010 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 ZINC000121686688 570413172 /nfs/dbraw/zinc/41/31/72/570413172.db2.gz KKKLAKCJKUCUCW-UHFFFAOYSA-N 0 1 395.484 3.466 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000025828440 570420102 /nfs/dbraw/zinc/42/01/02/570420102.db2.gz RUMHELIBNWXZQZ-KRWDZBQOSA-N 0 1 397.494 3.067 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000027336365 570433304 /nfs/dbraw/zinc/43/33/04/570433304.db2.gz XRQWHMVNYBHZFO-WOJBJXKFSA-N 0 1 384.476 3.404 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000027336367 570433569 /nfs/dbraw/zinc/43/35/69/570433569.db2.gz XRQWHMVNYBHZFO-UXHICEINSA-N 0 1 384.476 3.404 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)OCCCO2)N1CCCC1 ZINC000027571221 570435931 /nfs/dbraw/zinc/43/59/31/570435931.db2.gz RJTUCKKVYBCKHZ-LJQANCHMSA-N 0 1 396.487 3.423 20 0 GGADMN Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3cccc(F)c3)N(C)C)c(C)n2n1 ZINC000027592996 570437365 /nfs/dbraw/zinc/43/73/65/570437365.db2.gz APQMWHBIBYIAMQ-HXUWFJFHSA-N 0 1 397.498 3.145 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000006506457 570460122 /nfs/dbraw/zinc/46/01/22/570460122.db2.gz LKUGGZFWTABSRO-UHFFFAOYSA-N 0 1 382.489 3.369 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc4cccnc43)cc2C[C@@H]1C ZINC000028680593 570462653 /nfs/dbraw/zinc/46/26/53/570462653.db2.gz LEIAJDJWROZUBH-ZDUSSCGKSA-N 0 1 381.457 3.333 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCc2ccccc21 ZINC000029485913 570474770 /nfs/dbraw/zinc/47/47/70/570474770.db2.gz OGRKHIWOJGIWSK-GOSISDBHSA-N 0 1 381.867 3.479 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000029837854 570481238 /nfs/dbraw/zinc/48/12/38/570481238.db2.gz QRJAWZPYHCYMPT-IBGZPJMESA-N 0 1 383.471 3.492 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCCCn1cccn1 ZINC000030168691 570486758 /nfs/dbraw/zinc/48/67/58/570486758.db2.gz JWGDXPHXUIKDAF-UHFFFAOYSA-N 0 1 399.520 3.022 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000030517926 570489973 /nfs/dbraw/zinc/48/99/73/570489973.db2.gz JGISHTZYPKBWHY-UHFFFAOYSA-N 0 1 378.398 3.264 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000006605545 570496105 /nfs/dbraw/zinc/49/61/05/570496105.db2.gz YGNIUXINDHEDOL-KRWDZBQOSA-N 0 1 397.504 3.257 20 0 GGADMN Cc1cccc(OCCCC(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)c1 ZINC000072295378 570503147 /nfs/dbraw/zinc/50/31/47/570503147.db2.gz UVJIZZTXAMECCR-OAQYLSRUSA-N 0 1 395.547 3.481 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)cc1NC(C)=O ZINC000006623292 570506645 /nfs/dbraw/zinc/50/66/45/570506645.db2.gz IYSJJHURNKSBQX-UHFFFAOYSA-N 0 1 392.477 3.458 20 0 GGADMN COc1ccc(-c2nc(C(=O)N3CCN(CC(C)C)CC3)cs2)cc1OC ZINC000040012756 570542550 /nfs/dbraw/zinc/54/25/50/570542550.db2.gz UHRIMIZETBSTCZ-UHFFFAOYSA-N 0 1 389.521 3.241 20 0 GGADMN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000225465761 570577233 /nfs/dbraw/zinc/57/72/33/570577233.db2.gz BKENROBTSOCJEF-CTNGQTDRSA-N 0 1 399.560 3.366 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000225465761 570577237 /nfs/dbraw/zinc/57/72/37/570577237.db2.gz BKENROBTSOCJEF-CTNGQTDRSA-N 0 1 399.560 3.366 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2)c1 ZINC000005447335 570596889 /nfs/dbraw/zinc/59/68/89/570596889.db2.gz WLVFSKOSUNAXPZ-UHFFFAOYSA-N 0 1 398.440 3.454 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c(C)c1 ZINC000064969539 570619265 /nfs/dbraw/zinc/61/92/65/570619265.db2.gz WBQWTSDIJCSYRW-UHFFFAOYSA-N 0 1 390.896 3.263 20 0 GGADMN Nc1cc(N)nc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000006820686 570622914 /nfs/dbraw/zinc/62/29/14/570622914.db2.gz IHLRROUZAUQKEN-SFHVURJKSA-N 0 1 399.907 3.292 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cnn1-c1ccccc1F ZINC000152632548 570662385 /nfs/dbraw/zinc/66/23/85/570662385.db2.gz HHQOLYABLYYYBS-LBPRGKRZSA-N 0 1 387.436 3.444 20 0 GGADMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000058148832 570710724 /nfs/dbraw/zinc/71/07/24/570710724.db2.gz WGABASYLVUBNGD-UHFFFAOYSA-N 0 1 375.476 3.102 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccco1 ZINC000058193258 570717868 /nfs/dbraw/zinc/71/78/68/570717868.db2.gz DOLKWZHIJOXZLM-HNNXBMFYSA-N 0 1 376.453 3.118 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N(C(C)C)C(C)C)n2)c(OC)c1 ZINC000058210040 570720322 /nfs/dbraw/zinc/72/03/22/570720322.db2.gz YWUOMCWNCANLNA-UHFFFAOYSA-N 0 1 378.498 3.226 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccc4ccccc4n3)n2)c(OC)c1 ZINC000058218297 570721249 /nfs/dbraw/zinc/72/12/49/570721249.db2.gz KLERYELLPDUESN-UHFFFAOYSA-N 0 1 375.388 3.289 20 0 GGADMN CCS(=O)(=O)c1ccccc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000059924188 570739885 /nfs/dbraw/zinc/73/98/85/570739885.db2.gz XIWXIUVMNZYJHA-UHFFFAOYSA-N 0 1 392.565 3.208 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000249133399 570763758 /nfs/dbraw/zinc/76/37/58/570763758.db2.gz SZIZYRKAEQSUCR-ZACQAIPSSA-N 0 1 398.425 3.206 20 0 GGADMN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000032730616 570776834 /nfs/dbraw/zinc/77/68/34/570776834.db2.gz WGIXYXMGVUFQNG-FOIQADDNSA-N 0 1 381.451 3.060 20 0 GGADMN COc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3O2)N2CCCCC2)cc1 ZINC000032780898 570808361 /nfs/dbraw/zinc/80/83/61/570808361.db2.gz XYOSLLYZNXUFKF-RBBKRZOGSA-N 0 1 380.488 3.342 20 0 GGADMN Cn1cnc2cc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cnc21 ZINC000183581196 570814602 /nfs/dbraw/zinc/81/46/02/570814602.db2.gz DDTPARVBKDBIMD-UHFFFAOYSA-N 0 1 383.883 3.016 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cnc3c(cnn3C(C)C)c2)n1 ZINC000052778884 570817001 /nfs/dbraw/zinc/81/70/01/570817001.db2.gz OODPNUPZAOGBJT-UHFFFAOYSA-N 0 1 377.408 3.058 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cccc2ccccc21 ZINC000031663626 570819293 /nfs/dbraw/zinc/81/92/93/570819293.db2.gz VPXOFEWCBDAUCJ-HXUWFJFHSA-N 0 1 375.472 3.381 20 0 GGADMN COc1cc(CNC(=O)c2ccc3[nH]nnc3c2)ccc1OCc1ccccc1 ZINC000012507432 570823250 /nfs/dbraw/zinc/82/32/50/570823250.db2.gz PCXSDIKRRUSLNP-UHFFFAOYSA-N 0 1 388.427 3.476 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccsc1 ZINC000032800832 570824696 /nfs/dbraw/zinc/82/46/96/570824696.db2.gz PBXXREVKWQYADK-JKSUJKDBSA-N 0 1 391.562 3.223 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1ccsc1 ZINC000032800835 570824957 /nfs/dbraw/zinc/82/49/57/570824957.db2.gz PBXXREVKWQYADK-CVEARBPZSA-N 0 1 391.562 3.223 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000065493203 570825868 /nfs/dbraw/zinc/82/58/68/570825868.db2.gz KGZAQJKQHFUATC-MRXNPFEDSA-N 0 1 379.485 3.449 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012525743 570830442 /nfs/dbraw/zinc/83/04/42/570830442.db2.gz IOTNYQXJIUYDNS-UHFFFAOYSA-N 0 1 394.862 3.328 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(F)cccc1F ZINC000007374180 570830949 /nfs/dbraw/zinc/83/09/49/570830949.db2.gz SXNPGHBJMLLBSI-KSSFIOAISA-N 0 1 378.444 3.270 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2[nH]c1=S ZINC000102348380 570846107 /nfs/dbraw/zinc/84/61/07/570846107.db2.gz AVPINVYFPRNOGY-UHFFFAOYSA-N 0 1 377.372 3.076 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cccc(OC)c2OC)N2CCCC2)cc1 ZINC000003331080 570857517 /nfs/dbraw/zinc/85/75/17/570857517.db2.gz BWJNUKSWROKAKS-IBGZPJMESA-N 0 1 384.476 3.279 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2[nH]c1=S ZINC000102741458 570860313 /nfs/dbraw/zinc/86/03/13/570860313.db2.gz ZRDYXHMVEKEDJE-MRXNPFEDSA-N 0 1 379.485 3.070 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]c1=S ZINC000102751998 570862332 /nfs/dbraw/zinc/86/23/32/570862332.db2.gz SUMOQMMBTSRNJX-UHFFFAOYSA-N 0 1 379.363 3.493 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1)O[C@@H](C)C2 ZINC000012560652 570865042 /nfs/dbraw/zinc/86/50/42/570865042.db2.gz MKOKVFRCAGKWCZ-LBPRGKRZSA-N 0 1 390.461 3.168 20 0 GGADMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000170609148 570865615 /nfs/dbraw/zinc/86/56/15/570865615.db2.gz SDVPMSVCBILWEQ-AWEZNQCLSA-N 0 1 396.534 3.251 20 0 GGADMN Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000003480342 570871991 /nfs/dbraw/zinc/87/19/91/570871991.db2.gz RZZFRKRJKGSHNI-UHFFFAOYSA-N 0 1 382.445 3.147 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c(OC)c1)O[C@@H](C)C2 ZINC000012605307 570888802 /nfs/dbraw/zinc/88/88/02/570888802.db2.gz ILRWZWWJPQGPKS-LBPRGKRZSA-N 0 1 393.461 3.227 20 0 GGADMN Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C)s1 ZINC000012614100 570891043 /nfs/dbraw/zinc/89/10/43/570891043.db2.gz KOPHPNMHRNPDSA-UHFFFAOYSA-N 0 1 386.521 3.113 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H]2COc3ccccc3C2)N2CCCC2)c1 ZINC000032902477 570898363 /nfs/dbraw/zinc/89/83/63/570898363.db2.gz TZSDBJOOPJTKBO-CTNGQTDRSA-N 0 1 380.488 3.200 20 0 GGADMN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000105879302 570933388 /nfs/dbraw/zinc/93/33/88/570933388.db2.gz QZVMSHQCAZCRTB-UXHICEINSA-N 0 1 388.508 3.166 20 0 GGADMN O=C(CN1CCC[C@H]1Cc1ccc(F)cc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000106571296 570965579 /nfs/dbraw/zinc/96/55/79/570965579.db2.gz LOPOIQQNDVENTK-REWPJTCUSA-N 0 1 395.522 3.475 20 0 GGADMN COCc1ccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000252481865 570968148 /nfs/dbraw/zinc/96/81/48/570968148.db2.gz CUDWAPMIRYYARU-UHFFFAOYSA-N 0 1 375.513 3.189 20 0 GGADMN COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000107543708 570974444 /nfs/dbraw/zinc/97/44/44/570974444.db2.gz JFNOPCVAKACXJQ-SCLBCKFNSA-N 0 1 377.847 3.306 20 0 GGADMN COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000107543708 570974449 /nfs/dbraw/zinc/97/44/49/570974449.db2.gz JFNOPCVAKACXJQ-SCLBCKFNSA-N 0 1 377.847 3.306 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(F)cccc1F ZINC000252517865 570983963 /nfs/dbraw/zinc/98/39/63/570983963.db2.gz SXNPGHBJMLLBSI-RDTXWAMCSA-N 0 1 378.444 3.270 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000012740404 570985326 /nfs/dbraw/zinc/98/53/26/570985326.db2.gz COOPVHPQVNUNDN-MRXNPFEDSA-N 0 1 379.382 3.027 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012747223 570990336 /nfs/dbraw/zinc/99/03/36/570990336.db2.gz GXONFQLCMMOFFJ-IAGOWNOFSA-N 0 1 381.476 3.373 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000045443973 570991253 /nfs/dbraw/zinc/99/12/53/570991253.db2.gz OGJBSJUEYWWTRF-ZBFHGGJFSA-N 0 1 381.542 3.114 20 0 GGADMN O=C(NC[C@H]1CCCc2ccccc21)NC1CCN(Cc2ccccn2)CC1 ZINC000045754956 570995588 /nfs/dbraw/zinc/99/55/88/570995588.db2.gz HSONHHHMLKTIOJ-LJQANCHMSA-N 0 1 378.520 3.465 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)N(C)c1ccccc1 ZINC000045984025 571007575 /nfs/dbraw/zinc/00/75/75/571007575.db2.gz HEEXPPPDOHNAGH-SFHVURJKSA-N 0 1 381.524 3.085 20 0 GGADMN CC(C)CCc1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cs1 ZINC000735818622 598824071 /nfs/dbraw/zinc/82/40/71/598824071.db2.gz OUVGXIFMLKFQGI-UHFFFAOYSA-N 0 1 380.477 3.275 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000736899447 598863526 /nfs/dbraw/zinc/86/35/26/598863526.db2.gz AFDQPRQBPPECOS-ZTNFWEORSA-N 0 1 391.475 3.267 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736899506 598863641 /nfs/dbraw/zinc/86/36/41/598863641.db2.gz AZWWVIMSJBFWFP-IRWQIABSSA-N 0 1 395.438 3.098 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736534435 598954812 /nfs/dbraw/zinc/95/48/12/598954812.db2.gz OHHBTGMIYQVZBY-SFHVURJKSA-N 0 1 388.479 3.305 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736534435 598954813 /nfs/dbraw/zinc/95/48/13/598954813.db2.gz OHHBTGMIYQVZBY-SFHVURJKSA-N 0 1 388.479 3.305 20 0 GGADMN CCC(CC)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC000736338229 598956215 /nfs/dbraw/zinc/95/62/15/598956215.db2.gz QLXGIXLRTYUWDF-KRWDZBQOSA-N 0 1 380.500 3.122 20 0 GGADMN CCC(CC)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC000736338229 598956216 /nfs/dbraw/zinc/95/62/16/598956216.db2.gz QLXGIXLRTYUWDF-KRWDZBQOSA-N 0 1 380.500 3.122 20 0 GGADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738436919 598968187 /nfs/dbraw/zinc/96/81/87/598968187.db2.gz LJAPOLVGHJMYAS-MRXNPFEDSA-N 0 1 392.511 3.267 20 0 GGADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000738436919 598968188 /nfs/dbraw/zinc/96/81/88/598968188.db2.gz LJAPOLVGHJMYAS-MRXNPFEDSA-N 0 1 392.511 3.267 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738436919 598968189 /nfs/dbraw/zinc/96/81/89/598968189.db2.gz LJAPOLVGHJMYAS-MRXNPFEDSA-N 0 1 392.511 3.267 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000738436919 598968191 /nfs/dbraw/zinc/96/81/91/598968191.db2.gz LJAPOLVGHJMYAS-MRXNPFEDSA-N 0 1 392.511 3.267 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCS[C@H](c2ccccc2)C1 ZINC000737031878 598987693 /nfs/dbraw/zinc/98/76/93/598987693.db2.gz FONAPEXWXOJFMG-IBGZPJMESA-N 0 1 397.504 3.044 20 0 GGADMN CCCCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C(C)(C)C ZINC000736442365 599109011 /nfs/dbraw/zinc/10/90/11/599109011.db2.gz WXNRIDXHGQWDRG-CYBMUJFWSA-N 0 1 392.529 3.414 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818113187 596914642 /nfs/dbraw/zinc/91/46/42/596914642.db2.gz MMFKCGDMOPBVNE-JXFKEZNVSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000818090137 596918125 /nfs/dbraw/zinc/91/81/25/596918125.db2.gz SYCIVZHYCDFWAC-UZLBHIALSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000818090135 596918262 /nfs/dbraw/zinc/91/82/62/596918262.db2.gz SYCIVZHYCDFWAC-OXJNMPFZSA-N 0 1 381.476 3.488 20 0 GGADMN CC1CCN(c2nn(C[N@@H+]3CCC[C@H](CC(=O)[O-])C3)c(=S)n2C2CC2)CC1 ZINC000818107050 597042239 /nfs/dbraw/zinc/04/22/39/597042239.db2.gz SMFRQRYPYSEUOW-OAHLLOKOSA-N 0 1 393.557 3.129 20 0 GGADMN CC1CCN(c2nn(C[N@H+]3CCC[C@H](CC(=O)[O-])C3)c(=S)n2C2CC2)CC1 ZINC000818107050 597042243 /nfs/dbraw/zinc/04/22/43/597042243.db2.gz SMFRQRYPYSEUOW-OAHLLOKOSA-N 0 1 393.557 3.129 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cs1 ZINC000533203153 597071256 /nfs/dbraw/zinc/07/12/56/597071256.db2.gz NRMLNFHHHMEFMR-HNNXBMFYSA-N 0 1 387.505 3.319 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cs1 ZINC000533203153 597071261 /nfs/dbraw/zinc/07/12/61/597071261.db2.gz NRMLNFHHHMEFMR-HNNXBMFYSA-N 0 1 387.505 3.319 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000533202893 597085720 /nfs/dbraw/zinc/08/57/20/597085720.db2.gz UASOFBXJQCFCKW-XOBRGWDASA-N 0 1 390.480 3.280 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)[C@H]1c1cccs1 ZINC000818478224 597123292 /nfs/dbraw/zinc/12/32/92/597123292.db2.gz HMLNXNJQGLFGEK-DAYGRLMNSA-N 0 1 379.526 3.027 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)[C@@H]1c1cccs1 ZINC000818478226 597123316 /nfs/dbraw/zinc/12/33/16/597123316.db2.gz HMLNXNJQGLFGEK-IIDMSEBBSA-N 0 1 379.526 3.027 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)[C@H]1c1cccs1 ZINC000818478227 597123338 /nfs/dbraw/zinc/12/33/38/597123338.db2.gz HMLNXNJQGLFGEK-RKVPGOIHSA-N 0 1 379.526 3.027 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000819195042 597176446 /nfs/dbraw/zinc/17/64/46/597176446.db2.gz WBHIBQQDZHHZLO-UHFFFAOYSA-N 0 1 385.489 3.255 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818413315 597185400 /nfs/dbraw/zinc/18/54/00/597185400.db2.gz MZVDWPWLJCJQPR-LJQANCHMSA-N 0 1 381.476 3.300 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000738626392 597195040 /nfs/dbraw/zinc/19/50/40/597195040.db2.gz UBTQNWARVUYYKR-MRXNPFEDSA-N 0 1 387.505 3.409 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737762268 597197194 /nfs/dbraw/zinc/19/71/94/597197194.db2.gz FXFASTROCDDOHE-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000818102149 597198783 /nfs/dbraw/zinc/19/87/83/597198783.db2.gz LYMGLNLIUULGDI-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000737951077 597199218 /nfs/dbraw/zinc/19/92/18/597199218.db2.gz PVQGPTUDCOGNDH-QGZVFWFLSA-N 0 1 375.856 3.392 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1F ZINC000738370009 597202902 /nfs/dbraw/zinc/20/29/02/597202902.db2.gz NZEFTFJGOPVQGX-UHFFFAOYSA-N 0 1 382.395 3.269 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000666523882 597217365 /nfs/dbraw/zinc/21/73/65/597217365.db2.gz MMYXVQWAQZHTML-IBGZPJMESA-N 0 1 381.476 3.096 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000414632994 597235388 /nfs/dbraw/zinc/23/53/88/597235388.db2.gz ZLLAEULDAXMEPY-UHFFFAOYSA-N 0 1 381.904 3.202 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000414632994 597235391 /nfs/dbraw/zinc/23/53/91/597235391.db2.gz ZLLAEULDAXMEPY-UHFFFAOYSA-N 0 1 381.904 3.202 20 0 GGADMN Cc1c(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cccc1-c1nn[nH]n1 ZINC000822096486 607287646 /nfs/dbraw/zinc/28/76/46/607287646.db2.gz OFTOOIDSVNGYKI-QGZVFWFLSA-N 0 1 395.467 3.117 20 0 GGADMN CC[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000818140768 597324824 /nfs/dbraw/zinc/32/48/24/597324824.db2.gz KTUULXNSXDHBFJ-IBGZPJMESA-N 0 1 381.476 3.272 20 0 GGADMN c1ccc(C[N@@H+]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000738432480 599263336 /nfs/dbraw/zinc/26/33/36/599263336.db2.gz HPCFRAAXCHXIKK-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000738432480 599263338 /nfs/dbraw/zinc/26/33/38/599263338.db2.gz HPCFRAAXCHXIKK-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@@H+]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cc1 ZINC000738432480 599263339 /nfs/dbraw/zinc/26/33/39/599263339.db2.gz HPCFRAAXCHXIKK-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cc1 ZINC000738432480 599263341 /nfs/dbraw/zinc/26/33/41/599263341.db2.gz HPCFRAAXCHXIKK-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000821516070 597513257 /nfs/dbraw/zinc/51/32/57/597513257.db2.gz OVSBIMYJDRENNC-UHFFFAOYSA-N 0 1 387.524 3.329 20 0 GGADMN C[C@@H]1CN(Cc2cccc(NCc3cc(-c4nn[nH]n4)cs3)c2)C[C@H](C)O1 ZINC000820761596 607317578 /nfs/dbraw/zinc/31/75/78/607317578.db2.gz YEONSNQTBNPJFN-OKILXGFUSA-N 0 1 384.509 3.150 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000820620981 598140626 /nfs/dbraw/zinc/14/06/26/598140626.db2.gz ZQQDKQAAXIZSGJ-KMZOKZLKSA-N 0 1 379.888 3.028 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000820620981 598140627 /nfs/dbraw/zinc/14/06/27/598140627.db2.gz ZQQDKQAAXIZSGJ-KMZOKZLKSA-N 0 1 379.888 3.028 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1)CC1CC1 ZINC000820344129 598160883 /nfs/dbraw/zinc/16/08/83/598160883.db2.gz QLVMIWGIJRGTTQ-UHFFFAOYSA-N 0 1 379.545 3.173 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635516195 598166926 /nfs/dbraw/zinc/16/69/26/598166926.db2.gz YTCRRUTVZFCHRE-DYVFJYSZSA-N 0 1 385.867 3.026 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820348079 598176885 /nfs/dbraw/zinc/17/68/85/598176885.db2.gz JMQMASAHUYNPID-KRWDZBQOSA-N 0 1 382.464 3.298 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccccc3C(=O)[O-])CC2)oc1C ZINC000821171174 598177537 /nfs/dbraw/zinc/17/75/37/598177537.db2.gz HLPPDNKBQIWCGX-UHFFFAOYSA-N 0 1 386.452 3.023 20 0 GGADMN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)Cn1nccc1-c1cccnc1 ZINC000735830063 598234295 /nfs/dbraw/zinc/23/42/95/598234295.db2.gz BVVVIIZWUWFOHS-UHFFFAOYSA-N 0 1 388.479 3.241 20 0 GGADMN Oc1cccc(CNCc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)c1 ZINC000738401988 598275647 /nfs/dbraw/zinc/27/56/47/598275647.db2.gz ZQJJMYBEZMWGPF-UHFFFAOYSA-N 0 1 387.443 3.441 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)cc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000737647131 598487253 /nfs/dbraw/zinc/48/72/53/598487253.db2.gz BUFZNBDHLDJRSB-UHFFFAOYSA-N 0 1 387.846 3.455 20 0 GGADMN Clc1cccc(N2CCN(C/C=C\c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000737573967 598493525 /nfs/dbraw/zinc/49/35/25/598493525.db2.gz ILUBNBJFSSTATI-YVMONPNESA-N 0 1 380.883 3.356 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)cc1-c1nn[nH]n1 ZINC000737186517 598530151 /nfs/dbraw/zinc/53/01/51/598530151.db2.gz IXNXPONURMOPGS-SMDDNHRTSA-N 0 1 390.513 3.024 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736571052 598556794 /nfs/dbraw/zinc/55/67/94/598556794.db2.gz OXZPTWGVKIMKKF-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN C[C@H]1CN(C(C)(C)CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000736290114 598572744 /nfs/dbraw/zinc/57/27/44/598572744.db2.gz GWTQMNSYMGBIPV-RYUDHWBXSA-N 0 1 398.433 3.185 20 0 GGADMN Clc1ccc(NC2CC[NH+](CC3CCCCC3)CC2)nc1-c1nnn[n-]1 ZINC000737575377 598578132 /nfs/dbraw/zinc/57/81/32/598578132.db2.gz SGDYLFGUGJLEEV-UHFFFAOYSA-N 0 1 375.908 3.372 20 0 GGADMN Clc1ccc(NC2CC[NH+](CC3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC000737575377 598578133 /nfs/dbraw/zinc/57/81/33/598578133.db2.gz SGDYLFGUGJLEEV-UHFFFAOYSA-N 0 1 375.908 3.372 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCOc1ccccc1-c1nn[nH]n1 ZINC000736294324 598627162 /nfs/dbraw/zinc/62/71/62/598627162.db2.gz QYDCPRIKPDNAIX-QINHECLXSA-N 0 1 379.464 3.096 20 0 GGADMN CCCN(Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736479858 598683962 /nfs/dbraw/zinc/68/39/62/598683962.db2.gz KEYNABBFLLUXHD-AWEZNQCLSA-N 0 1 382.443 3.245 20 0 GGADMN COc1ccc([C@@H]2CCCN2Cc2ccc(F)cc2-c2nn[nH]n2)cc1OC ZINC000737076192 598717371 /nfs/dbraw/zinc/71/73/71/598717371.db2.gz MMIAFMHOCYESIM-KRWDZBQOSA-N 0 1 383.427 3.360 20 0 GGADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc(-c3ccco3)on2)c2ccc(Cl)cc12 ZINC000738371848 598721836 /nfs/dbraw/zinc/72/18/36/598721836.db2.gz KPSRRDDBDFQIOW-UHFFFAOYSA-N 0 1 394.778 3.131 20 0 GGADMN Cc1ccccc1Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000737428117 598723300 /nfs/dbraw/zinc/72/33/00/598723300.db2.gz KJBNCUNGUFRQMI-UHFFFAOYSA-N 0 1 396.248 3.301 20 0 GGADMN COc1ccc(C)cc1CN1CCN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737076061 599308292 /nfs/dbraw/zinc/30/82/92/599308292.db2.gz HZIVVISARKMBRB-QGZVFWFLSA-N 0 1 392.507 3.063 20 0 GGADMN CCN(C(=O)[C@H](C)N(C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736503384 599359332 /nfs/dbraw/zinc/35/93/32/599359332.db2.gz VTWLNBWDLKRYCE-IRXDYDNUSA-N 0 1 392.507 3.297 20 0 GGADMN C(=C/c1ccccc1)\CN1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000735390669 599392671 /nfs/dbraw/zinc/39/26/71/599392671.db2.gz BHCACUVUYWZZAL-RMKNXTFCSA-N 0 1 397.486 3.250 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000821751748 607375853 /nfs/dbraw/zinc/37/58/53/607375853.db2.gz BHTDSLZBUQUZQZ-UHFFFAOYSA-N 0 1 383.412 3.092 20 0 GGADMN CC(C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)o1)c1cccc(Br)c1 ZINC000819983667 599421187 /nfs/dbraw/zinc/42/11/87/599421187.db2.gz AMAAPCNVZVRCBK-UHFFFAOYSA-N 0 1 376.258 3.290 20 0 GGADMN CC(C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1cccc(Br)c1 ZINC000819983667 599421188 /nfs/dbraw/zinc/42/11/88/599421188.db2.gz AMAAPCNVZVRCBK-UHFFFAOYSA-N 0 1 376.258 3.290 20 0 GGADMN COc1cccc([C@@H](C)N2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)c1 ZINC000737121663 599429232 /nfs/dbraw/zinc/42/92/32/599429232.db2.gz PTBNBCYCMULGGB-CQSZACIVSA-N 0 1 398.898 3.412 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CSc1n[nH]c(CCC2CCCC2)n1 ZINC000821752667 607377797 /nfs/dbraw/zinc/37/77/97/607377797.db2.gz QDBSKUQGMLCUMM-UHFFFAOYSA-N 0 1 385.497 3.409 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CSc1nc(CCC2CCCC2)n[nH]1 ZINC000821752667 607377799 /nfs/dbraw/zinc/37/77/99/607377799.db2.gz QDBSKUQGMLCUMM-UHFFFAOYSA-N 0 1 385.497 3.409 20 0 GGADMN O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1sccc1-c1nn[n-]n1 ZINC000737843870 599478207 /nfs/dbraw/zinc/47/82/07/599478207.db2.gz NVLUGBPAKIUFSL-AWEZNQCLSA-N 0 1 386.481 3.467 20 0 GGADMN O=C(CC[N@H+]1CCCCC[C@H]1c1ccco1)Nc1sccc1-c1nn[n-]n1 ZINC000737843870 599478208 /nfs/dbraw/zinc/47/82/08/599478208.db2.gz NVLUGBPAKIUFSL-AWEZNQCLSA-N 0 1 386.481 3.467 20 0 GGADMN C[C@@H]1CN(Cc2cccc(Nc3ncc(-c4nn[nH]n4)cc3Cl)c2)C[C@H](C)O1 ZINC000736287838 599525777 /nfs/dbraw/zinc/52/57/77/599525777.db2.gz GKUWLCVPELEVON-BETUJISGSA-N 0 1 399.886 3.268 20 0 GGADMN CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736135369 599612829 /nfs/dbraw/zinc/61/28/29/599612829.db2.gz XURNXVCGHBTPDW-VXGBXAGGSA-N 0 1 376.530 3.158 20 0 GGADMN CCc1[nH]c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000737240024 599704389 /nfs/dbraw/zinc/70/43/89/599704389.db2.gz DYEUQHNZQGNLGE-UHFFFAOYSA-N 0 1 397.519 3.364 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2)C[C@@H](C)O1 ZINC000261907218 599704831 /nfs/dbraw/zinc/70/48/31/599704831.db2.gz GBQWWBDJUKYWAF-ZIAGYGMSSA-N 0 1 386.423 3.385 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(Nc3cccc(C[NH+]4CCOCC4)c3)c12 ZINC000738865571 599706536 /nfs/dbraw/zinc/70/65/36/599706536.db2.gz UZQKAEAVRHELOQ-UHFFFAOYSA-N 0 1 398.488 3.004 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3NC(=O)[O-])CC2)cc1 ZINC000738002613 599707559 /nfs/dbraw/zinc/70/75/59/599707559.db2.gz CXVFIIAGNYKZSU-UHFFFAOYSA-N 0 1 383.448 3.133 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000739626025 599709534 /nfs/dbraw/zinc/70/95/34/599709534.db2.gz RKVVCLHNTAOSDJ-KNQAVFIVSA-N 0 1 392.499 3.294 20 0 GGADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000739517771 599711887 /nfs/dbraw/zinc/71/18/87/599711887.db2.gz RCNGXGALMGDJOX-SFHVURJKSA-N 0 1 390.842 3.453 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738238869 599712174 /nfs/dbraw/zinc/71/21/74/599712174.db2.gz ZOMRJMYQVLTZEZ-UWWPHRKUSA-N 0 1 375.513 3.238 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736598260 599712912 /nfs/dbraw/zinc/71/29/12/599712912.db2.gz KKWWWRHIZPXLTD-ZDUSSCGKSA-N 0 1 386.427 3.484 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000248616154 599713540 /nfs/dbraw/zinc/71/35/40/599713540.db2.gz ZQFXGSRVRGOINT-DWRORGKVSA-N 0 1 399.516 3.066 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000248616154 599713542 /nfs/dbraw/zinc/71/35/42/599713542.db2.gz ZQFXGSRVRGOINT-DWRORGKVSA-N 0 1 399.516 3.066 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1F ZINC000740004789 599718853 /nfs/dbraw/zinc/71/88/53/599718853.db2.gz FYROXFZFFAZFEP-UHFFFAOYSA-N 0 1 392.456 3.369 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000738894153 599730925 /nfs/dbraw/zinc/73/09/25/599730925.db2.gz JIAXYQKLCZANKN-OAHLLOKOSA-N 0 1 396.447 3.448 20 0 GGADMN CCCN(C(=O)CCCN(C)C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000737009089 599748323 /nfs/dbraw/zinc/74/83/23/599748323.db2.gz NRKOGCZTMPDXIP-LJQANCHMSA-N 0 1 375.513 3.280 20 0 GGADMN C[C@H](CNC(=O)c1ccccc1SCc1occc1C(=O)[O-])[N@@H+](C)C1CC1 ZINC000736603894 599749699 /nfs/dbraw/zinc/74/96/99/599749699.db2.gz BAAIGZWXWLKUGJ-CYBMUJFWSA-N 0 1 388.489 3.483 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000737684807 599753578 /nfs/dbraw/zinc/75/35/78/599753578.db2.gz LAPGERFXLRVDIK-QGZVFWFLSA-N 0 1 396.443 3.022 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000315071419 599754989 /nfs/dbraw/zinc/75/49/89/599754989.db2.gz ISQAEFDVWPIWOL-VIFPVBQESA-N 0 1 386.271 3.390 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000315071419 599754990 /nfs/dbraw/zinc/75/49/90/599754990.db2.gz ISQAEFDVWPIWOL-VIFPVBQESA-N 0 1 386.271 3.390 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000737492927 599756547 /nfs/dbraw/zinc/75/65/47/599756547.db2.gz YYFUCQOQPASMSA-UHFFFAOYSA-N 0 1 395.503 3.167 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2F)CC1 ZINC000737115089 599771801 /nfs/dbraw/zinc/77/18/01/599771801.db2.gz IHCMBKWGSLJSOJ-UHFFFAOYSA-N 0 1 399.466 3.237 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738129543 599773948 /nfs/dbraw/zinc/77/39/48/599773948.db2.gz QLXAMWVJJBKFNB-GOSISDBHSA-N 0 1 383.448 3.238 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738129543 599773951 /nfs/dbraw/zinc/77/39/51/599773951.db2.gz QLXAMWVJJBKFNB-GOSISDBHSA-N 0 1 383.448 3.238 20 0 GGADMN Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000738290583 599778343 /nfs/dbraw/zinc/77/83/43/599778343.db2.gz RFCVLCUHHCGBJV-UHFFFAOYSA-N 0 1 376.888 3.097 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736774952 599792973 /nfs/dbraw/zinc/79/29/73/599792973.db2.gz LIJODLJTUFEWSZ-IYBDPMFKSA-N 0 1 388.512 3.369 20 0 GGADMN COc1ccccc1CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738133814 599793243 /nfs/dbraw/zinc/79/32/43/599793243.db2.gz VNHAPVHTMLIRGI-UHFFFAOYSA-N 0 1 376.478 3.185 20 0 GGADMN COc1ccccc1CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738133814 599793245 /nfs/dbraw/zinc/79/32/45/599793245.db2.gz VNHAPVHTMLIRGI-UHFFFAOYSA-N 0 1 376.478 3.185 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1Cl ZINC000737358711 599793663 /nfs/dbraw/zinc/79/36/63/599793663.db2.gz OETMNOJLHYVWJJ-LJQANCHMSA-N 0 1 399.878 3.412 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)s2)c1 ZINC000737688411 599811426 /nfs/dbraw/zinc/81/14/26/599811426.db2.gz XTSXFLTXPIWSIK-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000737688411 599811428 /nfs/dbraw/zinc/81/14/28/599811428.db2.gz XTSXFLTXPIWSIK-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000738545395 599812109 /nfs/dbraw/zinc/81/21/09/599812109.db2.gz OVARPSKKQCCCLV-INIZCTEOSA-N 0 1 384.398 3.166 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000738545395 599812111 /nfs/dbraw/zinc/81/21/11/599812111.db2.gz OVARPSKKQCCCLV-INIZCTEOSA-N 0 1 384.398 3.166 20 0 GGADMN COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c2C1 ZINC000737763368 599815352 /nfs/dbraw/zinc/81/53/52/599815352.db2.gz VSNRSHBIIRXGNF-OAHLLOKOSA-N 0 1 399.491 3.365 20 0 GGADMN COCCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c2C1 ZINC000737763368 599815358 /nfs/dbraw/zinc/81/53/58/599815358.db2.gz VSNRSHBIIRXGNF-OAHLLOKOSA-N 0 1 399.491 3.365 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000738773220 599828598 /nfs/dbraw/zinc/82/85/98/599828598.db2.gz QKPRZFQRULFIMK-UHFFFAOYSA-N 0 1 381.476 3.362 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739761405 599829062 /nfs/dbraw/zinc/82/90/62/599829062.db2.gz UZSOFOWCLLQQCW-FQEVSTJZSA-N 0 1 381.476 3.490 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000737491937 599832770 /nfs/dbraw/zinc/83/27/70/599832770.db2.gz MIFCUELVVIJNJG-FQEVSTJZSA-N 0 1 381.476 3.191 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2F)CC1 ZINC000737115491 599843240 /nfs/dbraw/zinc/84/32/40/599843240.db2.gz JRZBEWFJAJFXMP-UHFFFAOYSA-N 0 1 389.402 3.057 20 0 GGADMN COc1ccccc1CC1CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC000738126405 599853498 /nfs/dbraw/zinc/85/34/98/599853498.db2.gz RUONDAPKNACNDS-UHFFFAOYSA-N 0 1 384.476 3.476 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000737651961 599856251 /nfs/dbraw/zinc/85/62/51/599856251.db2.gz ULCKVWHSTZFIEG-UHFFFAOYSA-N 0 1 382.482 3.133 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000738532453 599856894 /nfs/dbraw/zinc/85/68/94/599856894.db2.gz MCEFUNHRWSIMTF-INIZCTEOSA-N 0 1 397.475 3.137 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000736439980 599863332 /nfs/dbraw/zinc/86/33/32/599863332.db2.gz FNWKNONBULFRAG-UHFFFAOYSA-N 0 1 390.430 3.437 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736886961 599878421 /nfs/dbraw/zinc/87/84/21/599878421.db2.gz QJJWAYSAUYYZPD-SSKFGXFMSA-N 0 1 380.488 3.250 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736886961 599878422 /nfs/dbraw/zinc/87/84/22/599878422.db2.gz QJJWAYSAUYYZPD-SSKFGXFMSA-N 0 1 380.488 3.250 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000739754692 599881274 /nfs/dbraw/zinc/88/12/74/599881274.db2.gz YSCZOKJHZULVDZ-QGZVFWFLSA-N 0 1 377.510 3.000 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739640304 599893831 /nfs/dbraw/zinc/89/38/31/599893831.db2.gz YDKATFRFVQRTMW-GFCCVEGCSA-N 0 1 379.254 3.051 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739626693 599894362 /nfs/dbraw/zinc/89/43/62/599894362.db2.gz UOYZVWVESRBSSP-MRXNPFEDSA-N 0 1 386.249 3.108 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739626693 599894365 /nfs/dbraw/zinc/89/43/65/599894365.db2.gz UOYZVWVESRBSSP-MRXNPFEDSA-N 0 1 386.249 3.108 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000738519558 599894535 /nfs/dbraw/zinc/89/45/35/599894535.db2.gz SOLYVGCGHLNLPL-OXQOHEQNSA-N 0 1 382.460 3.484 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000738519558 599894537 /nfs/dbraw/zinc/89/45/37/599894537.db2.gz SOLYVGCGHLNLPL-OXQOHEQNSA-N 0 1 382.460 3.484 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2Cl)CC1 ZINC000737529437 599911133 /nfs/dbraw/zinc/91/11/33/599911133.db2.gz JIBVBPLPPCQVPM-UHFFFAOYSA-N 0 1 388.855 3.434 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000737018960 599913879 /nfs/dbraw/zinc/91/38/79/599913879.db2.gz YWTHKSMPHIBEKW-HXUWFJFHSA-N 0 1 382.460 3.411 20 0 GGADMN O=C([O-])Nc1cccc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000740028909 599929234 /nfs/dbraw/zinc/92/92/34/599929234.db2.gz KSILMYUZJIBZJC-UHFFFAOYSA-N 0 1 390.443 3.283 20 0 GGADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccsc1 ZINC000184911296 599932668 /nfs/dbraw/zinc/93/26/68/599932668.db2.gz JFTINTBBNUEZCZ-MRXNPFEDSA-N 0 1 396.534 3.116 20 0 GGADMN O=C([O-])c1sc2ccccc2c1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000740280359 599937850 /nfs/dbraw/zinc/93/78/50/599937850.db2.gz WBLBGFXEBFJIKK-UHFFFAOYSA-N 0 1 394.496 3.486 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736576594 599950048 /nfs/dbraw/zinc/95/00/48/599950048.db2.gz DZZKVBDCTQMYEA-QGZVFWFLSA-N 0 1 380.488 3.420 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C1CC1)C(=O)[O-] ZINC000736580998 599951716 /nfs/dbraw/zinc/95/17/16/599951716.db2.gz HAJUTCQUNXMCDV-JTQLQIEISA-N 0 1 380.242 3.184 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570308 599951783 /nfs/dbraw/zinc/95/17/83/599951783.db2.gz YYFNBSKFUDFDEY-YWZLYKJASA-N 0 1 386.517 3.447 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000739867455 599951857 /nfs/dbraw/zinc/95/18/57/599951857.db2.gz GXTIGNYJZLLVRD-SFHVURJKSA-N 0 1 399.516 3.250 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570306 599951844 /nfs/dbraw/zinc/95/18/44/599951844.db2.gz YYFNBSKFUDFDEY-MGPUTAFESA-N 0 1 386.517 3.447 20 0 GGADMN Cc1ccc(N2CCC[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CC2)nn1 ZINC000738616917 599957216 /nfs/dbraw/zinc/95/72/16/599957216.db2.gz YUGAZUXKBCQHML-UHFFFAOYSA-N 0 1 382.489 3.410 20 0 GGADMN CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC[N@H+]1CCOC ZINC000736943354 599960534 /nfs/dbraw/zinc/96/05/34/599960534.db2.gz LFMYNUGEVPKYTA-ZDUSSCGKSA-N 0 1 380.485 3.281 20 0 GGADMN CC[C@H]1C[N@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1CCOC ZINC000736943354 599960536 /nfs/dbraw/zinc/96/05/36/599960536.db2.gz LFMYNUGEVPKYTA-ZDUSSCGKSA-N 0 1 380.485 3.281 20 0 GGADMN O=C([O-])CSCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000739843682 599963474 /nfs/dbraw/zinc/96/34/74/599963474.db2.gz FEGNMMGWPGXBHO-UHFFFAOYSA-N 0 1 398.528 3.128 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000737492835 599963510 /nfs/dbraw/zinc/96/35/10/599963510.db2.gz WCHHKROZSSSJME-UHFFFAOYSA-N 0 1 395.503 3.167 20 0 GGADMN Cc1[nH]c(C(=O)CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738152861 599963689 /nfs/dbraw/zinc/96/36/89/599963689.db2.gz ISWVKYLBXLUYQE-UHFFFAOYSA-N 0 1 397.519 3.356 20 0 GGADMN C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737407643 599967877 /nfs/dbraw/zinc/96/78/77/599967877.db2.gz DDFIJPIHNGNQKL-SJLPKXTDSA-N 0 1 378.469 3.018 20 0 GGADMN Cn1cc(CN2CCC[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CC2)cn1 ZINC000739029511 599968544 /nfs/dbraw/zinc/96/85/44/599968544.db2.gz YZNUYUZCPWTKHJ-UHFFFAOYSA-N 0 1 384.505 3.041 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000737284618 599975594 /nfs/dbraw/zinc/97/55/94/599975594.db2.gz JIPSGEJITVXZDW-CQSZACIVSA-N 0 1 390.509 3.098 20 0 GGADMN CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284360 599975685 /nfs/dbraw/zinc/97/56/85/599975685.db2.gz HXVRTKXFRHVVNW-RDJZCZTQSA-N 0 1 384.480 3.116 20 0 GGADMN Cc1cc(C)n([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370807 599976310 /nfs/dbraw/zinc/97/63/10/599976310.db2.gz UOBVVFSGYSBLIT-SJLPKXTDSA-N 0 1 384.480 3.171 20 0 GGADMN Cc1cc(C)n([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370807 599976313 /nfs/dbraw/zinc/97/63/13/599976313.db2.gz UOBVVFSGYSBLIT-SJLPKXTDSA-N 0 1 384.480 3.171 20 0 GGADMN Cc1cc(C)n([C@@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)n1 ZINC000738370135 599976621 /nfs/dbraw/zinc/97/66/21/599976621.db2.gz RIBWSPQDZUJKSH-OAHLLOKOSA-N 0 1 390.509 3.152 20 0 GGADMN Cc1cc(C)n([C@@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)n1 ZINC000738370135 599976623 /nfs/dbraw/zinc/97/66/23/599976623.db2.gz RIBWSPQDZUJKSH-OAHLLOKOSA-N 0 1 390.509 3.152 20 0 GGADMN Cc1cc(C)n([C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)n1 ZINC000738370106 599976767 /nfs/dbraw/zinc/97/67/67/599976767.db2.gz RIBWSPQDZUJKSH-HNNXBMFYSA-N 0 1 390.509 3.152 20 0 GGADMN Cc1cc(C)n([C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)n1 ZINC000738370106 599976769 /nfs/dbraw/zinc/97/67/69/599976769.db2.gz RIBWSPQDZUJKSH-HNNXBMFYSA-N 0 1 390.509 3.152 20 0 GGADMN CC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000737108608 599977316 /nfs/dbraw/zinc/97/73/16/599977316.db2.gz XSAMZGQKTUDGEY-AWEZNQCLSA-N 0 1 395.459 3.495 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC000738075094 599978883 /nfs/dbraw/zinc/97/88/83/599978883.db2.gz XEAPCXIGMFGNBP-HNNXBMFYSA-N 0 1 382.460 3.477 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC000738075094 599978886 /nfs/dbraw/zinc/97/88/86/599978886.db2.gz XEAPCXIGMFGNBP-HNNXBMFYSA-N 0 1 382.460 3.477 20 0 GGADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000737470957 599988296 /nfs/dbraw/zinc/98/82/96/599988296.db2.gz SMCNGKKPFOSMQC-FQEVSTJZSA-N 0 1 395.503 3.091 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737869272 599992782 /nfs/dbraw/zinc/99/27/82/599992782.db2.gz ZBKAGEVSRMUXLI-QUCCMNQESA-N 0 1 399.487 3.088 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000737869274 599992926 /nfs/dbraw/zinc/99/29/26/599992926.db2.gz ZBKAGEVSRMUXLI-UYAOXDASSA-N 0 1 399.487 3.088 20 0 GGADMN Cc1nc(Cl)cc(N2CC[NH+]([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000738858691 599993308 /nfs/dbraw/zinc/99/33/08/599993308.db2.gz KRVDTILEQDRJOW-INIZCTEOSA-N 0 1 381.263 3.040 20 0 GGADMN COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000737933612 600002518 /nfs/dbraw/zinc/00/25/18/600002518.db2.gz QRSONVRWZPZLBA-GASCZTMLSA-N 0 1 398.459 3.255 20 0 GGADMN COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000737933612 600002521 /nfs/dbraw/zinc/00/25/21/600002521.db2.gz QRSONVRWZPZLBA-GASCZTMLSA-N 0 1 398.459 3.255 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736271985 600014353 /nfs/dbraw/zinc/01/43/53/600014353.db2.gz BOSWJDRLQLSFEI-OAHLLOKOSA-N 0 1 398.450 3.499 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000740203441 600017501 /nfs/dbraw/zinc/01/75/01/600017501.db2.gz NJPIIUUWTLUJTL-HXUWFJFHSA-N 0 1 379.460 3.075 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736755186 600018261 /nfs/dbraw/zinc/01/82/61/600018261.db2.gz KXDSGLODVSGHIR-OWCLPIDISA-N 0 1 393.553 3.492 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722295 600018727 /nfs/dbraw/zinc/01/87/27/600018727.db2.gz BUNXSLXPJYJLCQ-FOIQADDNSA-N 0 1 379.460 3.246 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000740201856 600019595 /nfs/dbraw/zinc/01/95/95/600019595.db2.gz FYQJOWYLYKRCHM-FQEVSTJZSA-N 0 1 385.508 3.455 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000736782148 600020660 /nfs/dbraw/zinc/02/06/60/600020660.db2.gz APDXDYVIOBGYSO-LSDHHAIUSA-N 0 1 379.526 3.389 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000736782143 600020818 /nfs/dbraw/zinc/02/08/18/600020818.db2.gz APDXDYVIOBGYSO-GJZGRUSLSA-N 0 1 379.526 3.389 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000736782146 600020957 /nfs/dbraw/zinc/02/09/57/600020957.db2.gz APDXDYVIOBGYSO-HUUCEWRRSA-N 0 1 379.526 3.389 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000740201860 600022088 /nfs/dbraw/zinc/02/20/88/600022088.db2.gz GFPMOPAILWMGIK-OAHLLOKOSA-N 0 1 399.516 3.384 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccco1 ZINC000737358431 600022198 /nfs/dbraw/zinc/02/21/98/600022198.db2.gz MCJWCYIYKFKKNX-OAHLLOKOSA-N 0 1 377.466 3.022 20 0 GGADMN CCN(CC(=O)[O-])Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(Cl)cc2)c1=S ZINC000737079095 600028154 /nfs/dbraw/zinc/02/81/54/600028154.db2.gz JCPQBJDHRKHTJS-LBPRGKRZSA-N 0 1 397.932 3.043 20 0 GGADMN O=C([O-])CCCNC(=S)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000739682309 600032597 /nfs/dbraw/zinc/03/25/97/600032597.db2.gz VCHMKCARFDTTED-MRXNPFEDSA-N 0 1 383.945 3.023 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1C(=O)[O-] ZINC000738009169 600032772 /nfs/dbraw/zinc/03/27/72/600032772.db2.gz XLSRLGXAQZPVGT-HXUWFJFHSA-N 0 1 382.460 3.237 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1F ZINC000738886826 600041658 /nfs/dbraw/zinc/04/16/58/600041658.db2.gz GGCMXMPNZKQESR-UHFFFAOYSA-N 0 1 381.407 3.267 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)C[C@H](C)O1 ZINC000736808083 600043177 /nfs/dbraw/zinc/04/31/77/600043177.db2.gz IRCSYWOYWCWAOW-IYBDPMFKSA-N 0 1 394.471 3.150 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)C[C@H](C)O1 ZINC000736808083 600043180 /nfs/dbraw/zinc/04/31/80/600043180.db2.gz IRCSYWOYWCWAOW-IYBDPMFKSA-N 0 1 394.471 3.150 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)C[C@H](C)O1 ZINC000736808081 600043186 /nfs/dbraw/zinc/04/31/86/600043186.db2.gz IRCSYWOYWCWAOW-HOTGVXAUSA-N 0 1 394.471 3.150 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000736873108 600045418 /nfs/dbraw/zinc/04/54/18/600045418.db2.gz AGOZFFOHHKJCRF-SCLBCKFNSA-N 0 1 389.521 3.091 20 0 GGADMN C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1Cl ZINC000736660759 600045458 /nfs/dbraw/zinc/04/54/58/600045458.db2.gz BIRAIYAKSGZJGB-YJYMSZOUSA-N 0 1 399.878 3.284 20 0 GGADMN CC(C)c1ccc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000736514094 600045794 /nfs/dbraw/zinc/04/57/94/600045794.db2.gz LVFKTICSVUNNGF-OAQYLSRUSA-N 0 1 380.488 3.280 20 0 GGADMN CC(C)c1ccc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000736514094 600045798 /nfs/dbraw/zinc/04/57/98/600045798.db2.gz LVFKTICSVUNNGF-OAQYLSRUSA-N 0 1 380.488 3.280 20 0 GGADMN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000737975083 600048295 /nfs/dbraw/zinc/04/82/95/600048295.db2.gz FWQMSSZYOXQFLC-NSHDSACASA-N 0 1 387.461 3.159 20 0 GGADMN Cc1cccc(C[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000738703688 600062215 /nfs/dbraw/zinc/06/22/15/600062215.db2.gz NWMGSRCTZCJDNS-FCHUYYIVSA-N 0 1 394.515 3.267 20 0 GGADMN Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000738703690 600062265 /nfs/dbraw/zinc/06/22/65/600062265.db2.gz NWMGSRCTZCJDNS-FGZHOGPDSA-N 0 1 394.515 3.267 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000237731549 600062435 /nfs/dbraw/zinc/06/24/35/600062435.db2.gz DJTRJXODEWYQAK-UHFFFAOYSA-N 0 1 380.488 3.360 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000237671378 600065877 /nfs/dbraw/zinc/06/58/77/600065877.db2.gz HPKNTPRWGSTEQG-LEWJYISDSA-N 0 1 380.488 3.019 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000740123819 600067849 /nfs/dbraw/zinc/06/78/49/600067849.db2.gz OPGCSYMLTCVLFD-UHFFFAOYSA-N 0 1 394.515 3.485 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000740188894 600071456 /nfs/dbraw/zinc/07/14/56/600071456.db2.gz OSONYEUQICFSQY-IBGZPJMESA-N 0 1 382.485 3.017 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000740188144 600073788 /nfs/dbraw/zinc/07/37/88/600073788.db2.gz BCXXZCMISRPJHN-GOSISDBHSA-N 0 1 382.435 3.278 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738956606 600077634 /nfs/dbraw/zinc/07/76/34/600077634.db2.gz CDUNDUMRGNCFLP-CQSZACIVSA-N 0 1 389.427 3.459 20 0 GGADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000739406924 600077654 /nfs/dbraw/zinc/07/76/54/600077654.db2.gz KWCZYMRXXNQZNA-ZDUSSCGKSA-N 0 1 375.400 3.151 20 0 GGADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739407697 600077751 /nfs/dbraw/zinc/07/77/51/600077751.db2.gz SGZCHVKIHBVJHL-CYBMUJFWSA-N 0 1 375.400 3.151 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(Cn3ncc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC000738093547 600078907 /nfs/dbraw/zinc/07/89/07/600078907.db2.gz XCPNEGMEGJKRKW-MRXNPFEDSA-N 0 1 394.475 3.079 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(C/C=C/C[N@@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703328 600080991 /nfs/dbraw/zinc/08/09/91/600080991.db2.gz VOKBBFQCAZFPEK-NSCUHMNNSA-N 0 1 392.455 3.059 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(C/C=C/C[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703328 600080996 /nfs/dbraw/zinc/08/09/96/600080996.db2.gz VOKBBFQCAZFPEK-NSCUHMNNSA-N 0 1 392.455 3.059 20 0 GGADMN O=C([O-])CCCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000666527361 600085607 /nfs/dbraw/zinc/08/56/07/600085607.db2.gz AXWANZGYCSSIKH-QGZVFWFLSA-N 0 1 381.904 3.249 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000659790578 600085787 /nfs/dbraw/zinc/08/57/87/600085787.db2.gz BLNXPONTACBFKG-MRXNPFEDSA-N 0 1 381.350 3.159 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000659790578 600085791 /nfs/dbraw/zinc/08/57/91/600085791.db2.gz BLNXPONTACBFKG-MRXNPFEDSA-N 0 1 381.350 3.159 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650505164 600086646 /nfs/dbraw/zinc/08/66/46/600086646.db2.gz TVLIATQLFSRJLG-SFHVURJKSA-N 0 1 384.480 3.147 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccccc1Br)C2 ZINC000739248947 600090019 /nfs/dbraw/zinc/09/00/19/600090019.db2.gz NGIQSNBXVICBIU-UHFFFAOYSA-N 0 1 389.249 3.492 20 0 GGADMN COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(F)cc3C(=O)[O-])[C@H](C)C2)cc1 ZINC000737696549 600092022 /nfs/dbraw/zinc/09/20/22/600092022.db2.gz ZAUAXZXVDWYXQW-CQSZACIVSA-N 0 1 386.423 3.021 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)nc2c1 ZINC000740187696 600092620 /nfs/dbraw/zinc/09/26/20/600092620.db2.gz GLKFOWMUNPAATH-UYAOXDASSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)nc2c1 ZINC000740187696 600092624 /nfs/dbraw/zinc/09/26/24/600092624.db2.gz GLKFOWMUNPAATH-UYAOXDASSA-N 0 1 393.443 3.122 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCCc2ccccc2C1 ZINC000737505717 600094486 /nfs/dbraw/zinc/09/44/86/600094486.db2.gz OMFJPZKJUQIGNW-NRFANRHFSA-N 0 1 391.471 3.170 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736788963 600107845 /nfs/dbraw/zinc/10/78/45/600107845.db2.gz JETIIMDVKYCGGT-OAHLLOKOSA-N 0 1 379.526 3.390 20 0 GGADMN Cc1[nH]c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738157551 600121066 /nfs/dbraw/zinc/12/10/66/600121066.db2.gz AEWRVKNMAKEKPQ-UHFFFAOYSA-N 0 1 383.492 3.314 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000739754416 600124560 /nfs/dbraw/zinc/12/45/60/600124560.db2.gz PKFLITNDPGCSIX-DLBZAZTESA-N 0 1 377.510 3.143 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000262631581 600128841 /nfs/dbraw/zinc/12/88/41/600128841.db2.gz FJVPEHLYHXSYIT-UZLBHIALSA-N 0 1 384.501 3.019 20 0 GGADMN CC[C@@]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736917084 600130011 /nfs/dbraw/zinc/13/00/11/600130011.db2.gz LGONVKWMJZXANG-IBGZPJMESA-N 0 1 378.375 3.206 20 0 GGADMN CC[C@](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC000736906603 600131321 /nfs/dbraw/zinc/13/13/21/600131321.db2.gz LZTNWKDQXVSDIY-JOCHJYFZSA-N 0 1 381.476 3.113 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCCc2sccc2C1 ZINC000737505298 600138580 /nfs/dbraw/zinc/13/85/80/600138580.db2.gz HRJWOZDJXMBHGK-LJQANCHMSA-N 0 1 397.500 3.231 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000164534724 600141217 /nfs/dbraw/zinc/14/12/17/600141217.db2.gz SNLPSOWTDASDRG-OAQYLSRUSA-N 0 1 380.488 3.055 20 0 GGADMN CCC[C@@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736964276 600154488 /nfs/dbraw/zinc/15/44/88/600154488.db2.gz MJWXQIWCPPHLNF-AUUYWEPGSA-N 0 1 389.477 3.252 20 0 GGADMN CCC[C@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736963635 600155408 /nfs/dbraw/zinc/15/54/08/600155408.db2.gz KBIITBCADWMVHT-GCJKJVERSA-N 0 1 397.475 3.499 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554811 600161334 /nfs/dbraw/zinc/16/13/34/600161334.db2.gz VAFJNBBTWUCTEC-PZJWPPBQSA-N 0 1 398.478 3.331 20 0 GGADMN Cc1sc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000738998111 600176974 /nfs/dbraw/zinc/17/69/74/600176974.db2.gz XPASXVPBXBFWFH-ZOWXZIJZSA-N 0 1 395.525 3.169 20 0 GGADMN Cc1sc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000738998111 600176975 /nfs/dbraw/zinc/17/69/75/600176975.db2.gz XPASXVPBXBFWFH-ZOWXZIJZSA-N 0 1 395.525 3.169 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000737869199 600178684 /nfs/dbraw/zinc/17/86/84/600178684.db2.gz YGGIDDJWRDIULT-ATZDWAIDSA-N 0 1 385.460 3.011 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000739622812 600179324 /nfs/dbraw/zinc/17/93/24/600179324.db2.gz QJTCBKHGIADUCI-NRFANRHFSA-N 0 1 396.462 3.076 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000737168773 600183527 /nfs/dbraw/zinc/18/35/27/600183527.db2.gz WQVQMUYKUVWLIC-BBRMVZONSA-N 0 1 396.463 3.174 20 0 GGADMN CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313531 600193471 /nfs/dbraw/zinc/19/34/71/600193471.db2.gz KTWBRBYHQBJMPX-ICSRJNTNSA-N 0 1 384.451 3.322 20 0 GGADMN O=C([O-])c1occc1COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000740281580 600195756 /nfs/dbraw/zinc/19/57/56/600195756.db2.gz LJHJWORTDIFFIN-GOSISDBHSA-N 0 1 397.349 3.476 20 0 GGADMN C[N@H+](CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-])C(C)(C)CO ZINC000737400196 600209613 /nfs/dbraw/zinc/20/96/13/600209613.db2.gz XSFNBYNYBIAWAM-UHFFFAOYSA-N 0 1 396.896 3.408 20 0 GGADMN C[N@@H+](CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-])C(C)(C)CO ZINC000737400196 600209615 /nfs/dbraw/zinc/20/96/15/600209615.db2.gz XSFNBYNYBIAWAM-UHFFFAOYSA-N 0 1 396.896 3.408 20 0 GGADMN C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737408912 600212700 /nfs/dbraw/zinc/21/27/00/600212700.db2.gz QKAZIMCBAKEZEY-BBRMVZONSA-N 0 1 384.259 3.491 20 0 GGADMN C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737486629 600216165 /nfs/dbraw/zinc/21/61/65/600216165.db2.gz DQDYYWDYZBSFPX-HXUWFJFHSA-N 0 1 378.428 3.467 20 0 GGADMN Cc1ccc([C@H]2CSCC[N@H+]2C[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000580084942 600218006 /nfs/dbraw/zinc/21/80/06/600218006.db2.gz GQYJLRWRTPBBGI-AZUAARDMSA-N 0 1 387.501 3.223 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)o1 ZINC000738581216 600218460 /nfs/dbraw/zinc/21/84/60/600218460.db2.gz CJTUPVBHTRQIKC-UZLBHIALSA-N 0 1 395.459 3.460 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@@H+]2CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)o1 ZINC000738581211 600218695 /nfs/dbraw/zinc/21/86/95/600218695.db2.gz CJTUPVBHTRQIKC-OXJNMPFZSA-N 0 1 395.459 3.460 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000736465429 600219312 /nfs/dbraw/zinc/21/93/12/600219312.db2.gz DZZFBNXWLVHUFP-OAHLLOKOSA-N 0 1 389.477 3.204 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000736466438 600220453 /nfs/dbraw/zinc/22/04/53/600220453.db2.gz WQEUJTXMIINYSB-IBGZPJMESA-N 0 1 378.469 3.278 20 0 GGADMN CCC[N@@H+](CCc1cccc(F)c1)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000737019281 600224993 /nfs/dbraw/zinc/22/49/93/600224993.db2.gz BRLMOXOLMBLPJA-OAQYLSRUSA-N 0 1 398.478 3.118 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000737867795 600225358 /nfs/dbraw/zinc/22/53/58/600225358.db2.gz QHFGEENWCYRWCK-CVDCTZTESA-N 0 1 399.487 3.187 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000737862860 600225433 /nfs/dbraw/zinc/22/54/33/600225433.db2.gz AAQGWHIFHSTRKK-WOJBJXKFSA-N 0 1 399.487 3.149 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000737867798 600225447 /nfs/dbraw/zinc/22/54/47/600225447.db2.gz QHFGEENWCYRWCK-WMZHIEFXSA-N 0 1 399.487 3.187 20 0 GGADMN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000521056231 600228924 /nfs/dbraw/zinc/22/89/24/600228924.db2.gz VRUZPNUNETUDMC-PZJWPPBQSA-N 0 1 383.488 3.301 20 0 GGADMN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000521056232 600229008 /nfs/dbraw/zinc/22/90/08/600229008.db2.gz VRUZPNUNETUDMC-TZIWHRDSSA-N 0 1 383.488 3.301 20 0 GGADMN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000521056229 600233049 /nfs/dbraw/zinc/23/30/49/600233049.db2.gz VRUZPNUNETUDMC-CTNGQTDRSA-N 0 1 383.488 3.301 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNc3nc(Cl)c(C(=O)[O-])s3)CC2)oc1C ZINC000738858442 600241069 /nfs/dbraw/zinc/24/10/69/600241069.db2.gz RXUWCMVFJIOABB-UHFFFAOYSA-N 0 1 384.889 3.424 20 0 GGADMN CC[NH+]1CCN(c2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2F)CC1 ZINC000737117055 600245881 /nfs/dbraw/zinc/24/58/81/600245881.db2.gz UMRJMXNPZADOEL-UHFFFAOYSA-N 0 1 396.422 3.383 20 0 GGADMN COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000738089277 600250307 /nfs/dbraw/zinc/25/03/07/600250307.db2.gz LSUCORASQLRFCL-GJZGRUSLSA-N 0 1 399.443 3.222 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738253235 600259043 /nfs/dbraw/zinc/25/90/43/600259043.db2.gz NCEQAUCHXZUEQI-CYBMUJFWSA-N 0 1 396.260 3.313 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738253235 600259045 /nfs/dbraw/zinc/25/90/45/600259045.db2.gz NCEQAUCHXZUEQI-CYBMUJFWSA-N 0 1 396.260 3.313 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736785877 600260281 /nfs/dbraw/zinc/26/02/81/600260281.db2.gz WQANQYDMCBODEH-ROUUACIJSA-N 0 1 397.519 3.453 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000568061330 600262108 /nfs/dbraw/zinc/26/21/08/600262108.db2.gz CAYAVOQYHGHYRX-MAUKXSAKSA-N 0 1 384.451 3.093 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736765217 600263894 /nfs/dbraw/zinc/26/38/94/600263894.db2.gz ZNXGFOJXIHDBNR-PBHICJAKSA-N 0 1 385.439 3.410 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000737284234 600271824 /nfs/dbraw/zinc/27/18/24/600271824.db2.gz FJJZWPFWJRCPRL-LSDHHAIUSA-N 0 1 387.505 3.488 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000739622414 600272751 /nfs/dbraw/zinc/27/27/51/600272751.db2.gz LMSZUEKINHMKJD-OAQYLSRUSA-N 0 1 396.462 3.043 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000737861225 600273978 /nfs/dbraw/zinc/27/39/78/600273978.db2.gz BHBKZYJFJZJQBA-IAGOWNOFSA-N 0 1 389.448 3.343 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000737861227 600274076 /nfs/dbraw/zinc/27/40/76/600274076.db2.gz BHBKZYJFJZJQBA-IRXDYDNUSA-N 0 1 389.448 3.343 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000737861223 600274186 /nfs/dbraw/zinc/27/41/86/600274186.db2.gz BHBKZYJFJZJQBA-DLBZAZTESA-N 0 1 389.448 3.343 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000739624192 600274233 /nfs/dbraw/zinc/27/42/33/600274233.db2.gz IURMSGHBNDBCII-MOPGFXCFSA-N 0 1 382.460 3.235 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736763837 600274289 /nfs/dbraw/zinc/27/42/89/600274289.db2.gz WMSDMAVEYYUZHY-VMRPVKRXSA-N 0 1 396.462 3.042 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cn1nc(Cc3cccc(F)c3)oc1=S)CC2 ZINC000739536637 600279071 /nfs/dbraw/zinc/27/90/71/600279071.db2.gz OABDCDMACVIKCE-AWEZNQCLSA-N 0 1 377.441 3.080 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000737284636 600279945 /nfs/dbraw/zinc/27/99/45/600279945.db2.gz JWNDLNXVNZKUAG-QGZVFWFLSA-N 0 1 385.468 3.424 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000737284635 600279992 /nfs/dbraw/zinc/27/99/92/600279992.db2.gz JWNDLNXVNZKUAG-KRWDZBQOSA-N 0 1 385.468 3.424 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604890 600280440 /nfs/dbraw/zinc/28/04/40/600280440.db2.gz PXZFWIXGLBRBHB-LPHOPBHVSA-N 0 1 382.435 3.253 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000738827676 600280510 /nfs/dbraw/zinc/28/05/10/600280510.db2.gz LSJNPNSSQRAMDO-LLVKDONJSA-N 0 1 393.285 3.159 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000738827677 600280536 /nfs/dbraw/zinc/28/05/36/600280536.db2.gz LSJNPNSSQRAMDO-NSHDSACASA-N 0 1 393.285 3.159 20 0 GGADMN Cc1ccc(OCc2nn(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)c(=S)o2)cc1 ZINC000738649234 600281153 /nfs/dbraw/zinc/28/11/53/600281153.db2.gz PARJCSIMZJYAKM-HNNXBMFYSA-N 0 1 389.477 3.237 20 0 GGADMN CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000737163997 600286192 /nfs/dbraw/zinc/28/61/92/600286192.db2.gz BCQMKFBMVIIZED-UONOGXRCSA-N 0 1 394.537 3.258 20 0 GGADMN CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000737163997 600286194 /nfs/dbraw/zinc/28/61/94/600286194.db2.gz BCQMKFBMVIIZED-UONOGXRCSA-N 0 1 394.537 3.258 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000738530517 600286423 /nfs/dbraw/zinc/28/64/23/600286423.db2.gz DHGSJYOSRNGZFV-QZTJIDSGSA-N 0 1 387.524 3.218 20 0 GGADMN Cc1[nH]c(C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738152783 600286969 /nfs/dbraw/zinc/28/69/69/600286969.db2.gz HNOPWYYXIROKQG-RHSMWYFYSA-N 0 1 375.513 3.099 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2 ZINC000566357818 600288031 /nfs/dbraw/zinc/28/80/31/600288031.db2.gz MXJPTKCECYBMHQ-CYBMUJFWSA-N 0 1 381.354 3.442 20 0 GGADMN COc1ccc(OCc2nc(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)cs2)cc1 ZINC000738048400 600288691 /nfs/dbraw/zinc/28/86/91/600288691.db2.gz DMARESZACKIMLF-QGZVFWFLSA-N 0 1 388.489 3.417 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)CC2 ZINC000739277938 600289794 /nfs/dbraw/zinc/28/97/94/600289794.db2.gz LEWQOMYAFMTHPH-NSHDSACASA-N 0 1 388.798 3.067 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000739277843 600297206 /nfs/dbraw/zinc/29/72/06/600297206.db2.gz IZXHAIIUUSBFMA-GFCCVEGCSA-N 0 1 390.789 3.484 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737886209 600301549 /nfs/dbraw/zinc/30/15/49/600301549.db2.gz MCHCMTWYQBFMFQ-QWHCGFSZSA-N 0 1 380.872 3.171 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737886208 600301767 /nfs/dbraw/zinc/30/17/67/600301767.db2.gz MCHCMTWYQBFMFQ-OLZOCXBDSA-N 0 1 380.872 3.171 20 0 GGADMN CC[C@]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)(C(=O)[O-])c1ccccc1 ZINC000736917583 600304228 /nfs/dbraw/zinc/30/42/28/600304228.db2.gz OCSNCYSVXGSVGX-HSZRJFAPSA-N 0 1 391.471 3.032 20 0 GGADMN CC[C@]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736920230 600304792 /nfs/dbraw/zinc/30/47/92/600304792.db2.gz OPQAYLXMBDHALE-LHSJRXKWSA-N 0 1 390.430 3.464 20 0 GGADMN CC[C@]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736920489 600304857 /nfs/dbraw/zinc/30/48/57/600304857.db2.gz UTEOXRSXCRFPOF-HXUWFJFHSA-N 0 1 392.858 3.417 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736920488 600305163 /nfs/dbraw/zinc/30/51/63/600305163.db2.gz UTEOXRSXCRFPOF-FQEVSTJZSA-N 0 1 392.858 3.417 20 0 GGADMN C[C@H](c1cccc(O)c1)[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736716872 600315380 /nfs/dbraw/zinc/31/53/80/600315380.db2.gz JPWBIQIHQGANMR-JLTOFOAXSA-N 0 1 395.459 3.120 20 0 GGADMN 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ZINC000736718589 600327691 /nfs/dbraw/zinc/32/76/91/600327691.db2.gz SLVAZTVKWSYGRF-OAHLLOKOSA-N 0 1 390.430 3.461 20 0 GGADMN Cc1cccc(C)c1NC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738696102 600328645 /nfs/dbraw/zinc/32/86/45/600328645.db2.gz WGEMESONBANUHU-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN Cc1cccc(C)c1NC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738696102 600328648 /nfs/dbraw/zinc/32/86/48/600328648.db2.gz WGEMESONBANUHU-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN C[N@H+](CCOc1cccc(C(=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000578514965 600329228 /nfs/dbraw/zinc/32/92/28/600329228.db2.gz FGAMVWVGZQIMMC-SFHVURJKSA-N 0 1 388.851 3.154 20 0 GGADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000578514965 600329232 /nfs/dbraw/zinc/32/92/32/600329232.db2.gz FGAMVWVGZQIMMC-SFHVURJKSA-N 0 1 388.851 3.154 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000738458896 600330951 /nfs/dbraw/zinc/33/09/51/600330951.db2.gz 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399.535 3.315 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000736785287 600343379 /nfs/dbraw/zinc/34/33/79/600343379.db2.gz RDIODDHGIRORSU-HKUYNNGSSA-N 0 1 387.524 3.223 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725260 600350405 /nfs/dbraw/zinc/35/04/05/600350405.db2.gz UALWOKZHFSKRHL-KXBFYZLASA-N 0 1 382.464 3.411 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1F ZINC000738887281 600350675 /nfs/dbraw/zinc/35/06/75/600350675.db2.gz NJMHLEYSWVSTCM-UHFFFAOYSA-N 0 1 397.410 3.409 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739988757 600355282 /nfs/dbraw/zinc/35/52/82/600355282.db2.gz WRVBENREPVSHLQ-IBGZPJMESA-N 0 1 396.491 3.140 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000736938325 600358167 /nfs/dbraw/zinc/35/81/67/600358167.db2.gz HFYNBGBNSXPZSC-OAHLLOKOSA-N 0 1 379.501 3.328 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC000736941028 600358204 /nfs/dbraw/zinc/35/82/04/600358204.db2.gz VFKCEVSVKSVHMG-HNNXBMFYSA-N 0 1 391.512 3.093 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000736938320 600358285 /nfs/dbraw/zinc/35/82/85/600358285.db2.gz HFYNBGBNSXPZSC-HNNXBMFYSA-N 0 1 379.501 3.328 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C(=O)[O-])c1 ZINC000738698858 600363336 /nfs/dbraw/zinc/36/33/36/600363336.db2.gz YYOXYWKLAFXEQY-PKOBYXMFSA-N 0 1 388.895 3.311 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125826 600373732 /nfs/dbraw/zinc/37/37/32/600373732.db2.gz COZQVXMOKCKQFE-LPHOPBHVSA-N 0 1 393.487 3.069 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000659759221 600380459 /nfs/dbraw/zinc/38/04/59/600380459.db2.gz PJJJZYAGOCKFNO-IYBDPMFKSA-N 0 1 398.459 3.012 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000659759221 600380461 /nfs/dbraw/zinc/38/04/61/600380461.db2.gz PJJJZYAGOCKFNO-IYBDPMFKSA-N 0 1 398.459 3.012 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740017365 600386449 /nfs/dbraw/zinc/38/64/49/600386449.db2.gz MBVCHVNHVFMGHP-IBGZPJMESA-N 0 1 381.476 3.347 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000740090450 600390648 /nfs/dbraw/zinc/39/06/48/600390648.db2.gz OLJNGKWHSVANAU-UHFFFAOYSA-N 0 1 389.402 3.403 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000740090450 600390653 /nfs/dbraw/zinc/39/06/53/600390653.db2.gz OLJNGKWHSVANAU-UHFFFAOYSA-N 0 1 389.402 3.403 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263579228 600392380 /nfs/dbraw/zinc/39/23/80/600392380.db2.gz UILMWKUTYWFSCL-MRXNPFEDSA-N 0 1 383.366 3.275 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000738532819 600393222 /nfs/dbraw/zinc/39/32/22/600393222.db2.gz NRGUYKCKKXWBCN-HXUWFJFHSA-N 0 1 382.460 3.004 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000738530057 600393667 /nfs/dbraw/zinc/39/36/67/600393667.db2.gz BOZYRNRIZLKDMC-FQEVSTJZSA-N 0 1 382.460 3.004 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000037596304 600394313 /nfs/dbraw/zinc/39/43/13/600394313.db2.gz YBMHIGFPGZOMJB-UHFFFAOYSA-N 0 1 377.666 3.226 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC1 ZINC000736993389 600395409 /nfs/dbraw/zinc/39/54/09/600395409.db2.gz YOGQNZIRTJPQMX-UHFFFAOYSA-N 0 1 395.569 3.446 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@H+](CCC(=O)[O-])C(C)C)[C@H](c3ccco3)C2)cc1 ZINC000738584544 600395710 /nfs/dbraw/zinc/39/57/10/600395710.db2.gz XWEYOCRZBMKHFV-IBGZPJMESA-N 0 1 397.475 3.451 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC000738888129 600403967 /nfs/dbraw/zinc/40/39/67/600403967.db2.gz YNMVHHCUHKVOSF-UHFFFAOYSA-N 0 1 386.358 3.479 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000738526486 600404086 /nfs/dbraw/zinc/40/40/86/600404086.db2.gz SREOPIFCLFFNCF-QGZVFWFLSA-N 0 1 376.815 3.063 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738498706 600405149 /nfs/dbraw/zinc/40/51/49/600405149.db2.gz OSWBCULCQBMDNI-KXBFYZLASA-N 0 1 385.439 3.485 20 0 GGADMN C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736805473 600405329 /nfs/dbraw/zinc/40/53/29/600405329.db2.gz DMVSRCUFNUTYIS-UIAACRFSSA-N 0 1 388.895 3.205 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCCC[C@H]1C ZINC000736785843 600405817 /nfs/dbraw/zinc/40/58/17/600405817.db2.gz VVBHQZQKJPGMPI-VXGBXAGGSA-N 0 1 385.411 3.371 20 0 GGADMN CC(C)n1ccnc1CN1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736532526 600406859 /nfs/dbraw/zinc/40/68/59/600406859.db2.gz SFYQVGJVLWPUGW-LJQANCHMSA-N 0 1 390.915 3.451 20 0 GGADMN Cc1[nH]c(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c(C)c1C(=O)[O-] ZINC000738155159 600410176 /nfs/dbraw/zinc/41/01/76/600410176.db2.gz CTWINGJQBDRQED-BETUJISGSA-N 0 1 385.464 3.191 20 0 GGADMN Cc1[nH]c(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c(C)c1C(=O)[O-] ZINC000738155159 600410179 /nfs/dbraw/zinc/41/01/79/600410179.db2.gz CTWINGJQBDRQED-BETUJISGSA-N 0 1 385.464 3.191 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC[S@@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000739532089 600410711 /nfs/dbraw/zinc/41/07/11/600410711.db2.gz LKQZYTSVNVNDGA-DAOPMYJZSA-N 0 1 376.305 3.288 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000740017631 600411201 /nfs/dbraw/zinc/41/12/01/600411201.db2.gz RADMFHYKVWFEQT-SFHVURJKSA-N 0 1 399.466 3.487 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000740015378 600411997 /nfs/dbraw/zinc/41/19/97/600411997.db2.gz GUNAWQJFSUFCAB-LJQANCHMSA-N 0 1 399.516 3.225 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000736216031 600412201 /nfs/dbraw/zinc/41/22/01/600412201.db2.gz TUNDZSLXWKBVNI-DNVCBOLYSA-N 0 1 384.501 3.180 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000736216031 600412204 /nfs/dbraw/zinc/41/22/04/600412204.db2.gz TUNDZSLXWKBVNI-DNVCBOLYSA-N 0 1 384.501 3.180 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000740111474 600425393 /nfs/dbraw/zinc/42/53/93/600425393.db2.gz WSIHBJSSKKYWTG-ZDUSSCGKSA-N 0 1 398.406 3.469 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000740111474 600425395 /nfs/dbraw/zinc/42/53/95/600425395.db2.gz WSIHBJSSKKYWTG-ZDUSSCGKSA-N 0 1 398.406 3.469 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CCc1scnc1C)CC2 ZINC000583030525 600428801 /nfs/dbraw/zinc/42/88/01/600428801.db2.gz PKNCBKIKLGMUKM-HNNXBMFYSA-N 0 1 376.478 3.085 20 0 GGADMN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(F)cc1C(=O)[O-] ZINC000736569090 600432936 /nfs/dbraw/zinc/43/29/36/600432936.db2.gz NCBKKLLCNUWPEA-NSHDSACASA-N 0 1 383.420 3.025 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C)[C@@H](C)Cc3ccc(C)cc3)nc(=O)c12 ZINC000738584200 600438312 /nfs/dbraw/zinc/43/83/12/600438312.db2.gz HGUUKITXERBQHD-LBPRGKRZSA-N 0 1 385.489 3.363 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C)[C@@H](C)Cc3ccc(C)cc3)nc(=O)c12 ZINC000738584200 600438314 /nfs/dbraw/zinc/43/83/14/600438314.db2.gz HGUUKITXERBQHD-LBPRGKRZSA-N 0 1 385.489 3.363 20 0 GGADMN C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736759314 600438824 /nfs/dbraw/zinc/43/88/24/600438824.db2.gz IGPRZWNOEFZDFG-HKUYNNGSSA-N 0 1 395.503 3.308 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000236996155 600440859 /nfs/dbraw/zinc/44/08/59/600440859.db2.gz VQLXEIDSZZWFRW-OAQYLSRUSA-N 0 1 396.487 3.163 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000236996155 600440860 /nfs/dbraw/zinc/44/08/60/600440860.db2.gz VQLXEIDSZZWFRW-OAQYLSRUSA-N 0 1 396.487 3.163 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000736801066 600445665 /nfs/dbraw/zinc/44/56/65/600445665.db2.gz JDVPHCGNPNQJFM-LBPRGKRZSA-N 0 1 376.526 3.126 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736993405 600458968 /nfs/dbraw/zinc/45/89/68/600458968.db2.gz DSYCDWDYTGNAKF-SFHVURJKSA-N 0 1 376.501 3.273 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)o1 ZINC000737259615 600462521 /nfs/dbraw/zinc/46/25/21/600462521.db2.gz VIFLWMMNUNNESK-NVXWUHKLSA-N 0 1 389.448 3.126 20 0 GGADMN C[C@H](c1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000736717763 600464552 /nfs/dbraw/zinc/46/45/52/600464552.db2.gz PCVRFNKTJGHSRC-OXQOHEQNSA-N 0 1 397.475 3.417 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000736486813 600468163 /nfs/dbraw/zinc/46/81/63/600468163.db2.gz FGERLGHXGOAHKS-IAGOWNOFSA-N 0 1 375.469 3.263 20 0 GGADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737520946 600469803 /nfs/dbraw/zinc/46/98/03/600469803.db2.gz LTAOZVWQCVXBIJ-QZTJIDSGSA-N 0 1 391.537 3.485 20 0 GGADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737522846 600469827 /nfs/dbraw/zinc/46/98/27/600469827.db2.gz QLRXGJGHVWQGBY-DLBZAZTESA-N 0 1 377.510 3.095 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736810003 600475539 /nfs/dbraw/zinc/47/55/39/600475539.db2.gz MVNFEOKBXJNQAN-VNHYZAJKSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736810003 600475542 /nfs/dbraw/zinc/47/55/42/600475542.db2.gz MVNFEOKBXJNQAN-VNHYZAJKSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000736218761 600476358 /nfs/dbraw/zinc/47/63/58/600476358.db2.gz BFZUHBVNCVQMKK-JTQLQIEISA-N 0 1 395.431 3.212 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000740125868 600480573 /nfs/dbraw/zinc/48/05/73/600480573.db2.gz RUPIYVKKGMXDOO-GOSISDBHSA-N 0 1 396.365 3.049 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736811596 600481135 /nfs/dbraw/zinc/48/11/35/600481135.db2.gz RTGFHDQGDLHCFL-GUTXKFCHSA-N 0 1 394.447 3.021 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736811596 600481138 /nfs/dbraw/zinc/48/11/38/600481138.db2.gz RTGFHDQGDLHCFL-GUTXKFCHSA-N 0 1 394.447 3.021 20 0 GGADMN O=C([O-])c1cn(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc12 ZINC000739359012 600481594 /nfs/dbraw/zinc/48/15/94/600481594.db2.gz GJWZBOXBFXAQGP-SFHVURJKSA-N 0 1 391.471 3.120 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000739872415 600482584 /nfs/dbraw/zinc/48/25/84/600482584.db2.gz JNBKUWLFXQLWCX-UHFFFAOYSA-N 0 1 391.537 3.487 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000738466294 600489854 /nfs/dbraw/zinc/48/98/54/600489854.db2.gz PHVMEBRCTIAFAD-NSHDSACASA-N 0 1 394.880 3.162 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000738466294 600489857 /nfs/dbraw/zinc/48/98/57/600489857.db2.gz PHVMEBRCTIAFAD-NSHDSACASA-N 0 1 394.880 3.162 20 0 GGADMN C[C@@H]1SCC[N@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccccc1 ZINC000736838354 600490411 /nfs/dbraw/zinc/49/04/11/600490411.db2.gz RMSDHNVFRXCMFH-YJBOKZPZSA-N 0 1 376.522 3.069 20 0 GGADMN C[C@@H]1SCC[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccccc1 ZINC000736838354 600490413 /nfs/dbraw/zinc/49/04/13/600490413.db2.gz RMSDHNVFRXCMFH-YJBOKZPZSA-N 0 1 376.522 3.069 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736788131 600495922 /nfs/dbraw/zinc/49/59/22/600495922.db2.gz AOXYQKVVBDOKEV-HNNXBMFYSA-N 0 1 386.448 3.161 20 0 GGADMN C[N@@H+]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000737516279 600498059 /nfs/dbraw/zinc/49/80/59/600498059.db2.gz SYSOHHVCNACBBZ-IBGZPJMESA-N 0 1 382.464 3.017 20 0 GGADMN C[N@H+]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000737516279 600498061 /nfs/dbraw/zinc/49/80/61/600498061.db2.gz SYSOHHVCNACBBZ-IBGZPJMESA-N 0 1 382.464 3.017 20 0 GGADMN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000737980212 600507103 /nfs/dbraw/zinc/50/71/03/600507103.db2.gz BKNOFRAWEYEQLH-KRWDZBQOSA-N 0 1 384.432 3.178 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000737980212 600507106 /nfs/dbraw/zinc/50/71/06/600507106.db2.gz BKNOFRAWEYEQLH-KRWDZBQOSA-N 0 1 384.432 3.178 20 0 GGADMN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1OC ZINC000737987057 600507195 /nfs/dbraw/zinc/50/71/95/600507195.db2.gz QCCCBXHKADWJLS-GOSISDBHSA-N 0 1 398.459 3.486 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1OC ZINC000737987057 600507196 /nfs/dbraw/zinc/50/71/96/600507196.db2.gz QCCCBXHKADWJLS-GOSISDBHSA-N 0 1 398.459 3.486 20 0 GGADMN Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738768523 600509178 /nfs/dbraw/zinc/50/91/78/600509178.db2.gz NFZCSRJUGJIIEG-HXUWFJFHSA-N 0 1 381.476 3.408 20 0 GGADMN CC(C)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736395472 600509471 /nfs/dbraw/zinc/50/94/71/600509471.db2.gz MXKDQPFUQMWMTF-JXFKEZNVSA-N 0 1 385.508 3.038 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@@H+](CCC(=O)[O-])C[C@H]3CCCO3)c2cc1Cl ZINC000737252967 600511875 /nfs/dbraw/zinc/51/18/75/600511875.db2.gz ZMEVWQGGTWQJSU-OAHLLOKOSA-N 0 1 393.867 3.465 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000738928477 600513014 /nfs/dbraw/zinc/51/30/14/600513014.db2.gz VMVDAGPDMFYJOD-KRWDZBQOSA-N 0 1 391.899 3.349 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000738928477 600513015 /nfs/dbraw/zinc/51/30/15/600513015.db2.gz VMVDAGPDMFYJOD-KRWDZBQOSA-N 0 1 391.899 3.349 20 0 GGADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000736805940 600513500 /nfs/dbraw/zinc/51/35/00/600513500.db2.gz GMISIPUHKFLPCW-VXGBXAGGSA-N 0 1 383.876 3.048 20 0 GGADMN O=C([O-])c1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)o1 ZINC000740132304 600525344 /nfs/dbraw/zinc/52/53/44/600525344.db2.gz KACNMCWKYGMRPC-UHFFFAOYSA-N 0 1 376.210 3.216 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736788564 600527872 /nfs/dbraw/zinc/52/78/72/600527872.db2.gz FFIBTNUVDJXCNE-OAHLLOKOSA-N 0 1 385.464 3.352 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736790744 600529119 /nfs/dbraw/zinc/52/91/19/600529119.db2.gz YQAWWBJDRANIFU-HNNXBMFYSA-N 0 1 385.464 3.352 20 0 GGADMN COc1ccc(-c2nc(C[N@H+](CCC(=O)[O-])C[C@H]3CCCO3)cs2)cc1 ZINC000573259420 600539196 /nfs/dbraw/zinc/53/91/96/600539196.db2.gz WYZRJYGBQVHMLD-QGZVFWFLSA-N 0 1 376.478 3.274 20 0 GGADMN COc1ccc(-c2nc(C[N@@H+](CCC(=O)[O-])C[C@H]3CCCO3)cs2)cc1 ZINC000573259420 600539198 /nfs/dbraw/zinc/53/91/98/600539198.db2.gz WYZRJYGBQVHMLD-QGZVFWFLSA-N 0 1 376.478 3.274 20 0 GGADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263574336 600540826 /nfs/dbraw/zinc/54/08/26/600540826.db2.gz NMKDWMAUEWMQMM-AWEZNQCLSA-N 0 1 398.488 3.375 20 0 GGADMN C[C@@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)[N@@H+](C)Cc1ccccc1 ZINC000736206191 600545530 /nfs/dbraw/zinc/54/55/30/600545530.db2.gz VDQSDSFAFGYMBX-HNNXBMFYSA-N 0 1 391.471 3.271 20 0 GGADMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736392198 600545644 /nfs/dbraw/zinc/54/56/44/600545644.db2.gz TZGVIUAPCNVYBE-IRLDBZIGSA-N 0 1 380.488 3.354 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[NH2+][C@@H](c3ncccc3C)C(C)C)nc(=O)c12 ZINC000738786322 600556009 /nfs/dbraw/zinc/55/60/09/600556009.db2.gz NCZWDARVVRIYPF-CQSZACIVSA-N 0 1 386.477 3.182 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[NH2+][C@H](c3ncccc3C)C(C)C)nc(=O)c12 ZINC000738786321 600556087 /nfs/dbraw/zinc/55/60/87/600556087.db2.gz NCZWDARVVRIYPF-AWEZNQCLSA-N 0 1 386.477 3.182 20 0 GGADMN CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736358549 600556586 /nfs/dbraw/zinc/55/65/86/600556586.db2.gz KDTIIDOJUDNWNW-IBGZPJMESA-N 0 1 395.459 3.053 20 0 GGADMN CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736358549 600556588 /nfs/dbraw/zinc/55/65/88/600556588.db2.gz KDTIIDOJUDNWNW-IBGZPJMESA-N 0 1 395.459 3.053 20 0 GGADMN CC[C@H](c1ccncc1)[N@H+](CC)Cn1nc(C(=O)[O-])c(Br)c1C ZINC000736929483 600559293 /nfs/dbraw/zinc/55/92/93/600559293.db2.gz MBMHRPPWWUVOEL-CYBMUJFWSA-N 0 1 381.274 3.478 20 0 GGADMN CC[C@H](c1ccncc1)[N@@H+](CC)Cn1nc(C(=O)[O-])c(Br)c1C ZINC000736929483 600559294 /nfs/dbraw/zinc/55/92/94/600559294.db2.gz MBMHRPPWWUVOEL-CYBMUJFWSA-N 0 1 381.274 3.478 20 0 GGADMN CC[C@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736861743 600561630 /nfs/dbraw/zinc/56/16/30/600561630.db2.gz UREHVONZHPXBFX-UTKZUKDTSA-N 0 1 383.448 3.109 20 0 GGADMN CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2)CC1 ZINC000737529012 600564986 /nfs/dbraw/zinc/56/49/86/600564986.db2.gz QCSNTBMENNPHFQ-UHFFFAOYSA-N 0 1 387.867 3.038 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccccc3NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736815514 600569854 /nfs/dbraw/zinc/56/98/54/600569854.db2.gz RWXWPJZGHSNMHU-IYBDPMFKSA-N 0 1 397.475 3.316 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000736379761 600571408 /nfs/dbraw/zinc/57/14/08/600571408.db2.gz MZSMUXINNBCLKS-CXAGYDPISA-N 0 1 384.423 3.012 20 0 GGADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000736429374 600571549 /nfs/dbraw/zinc/57/15/49/600571549.db2.gz ZWVLZJRBJNVCQR-KBXCAEBGSA-N 0 1 398.450 3.402 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000736379765 600571597 /nfs/dbraw/zinc/57/15/97/600571597.db2.gz MZSMUXINNBCLKS-DYVFJYSZSA-N 0 1 384.423 3.012 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@H](CC(C)C)NC(=O)[O-])CCC[N@H+]2C)cc1 ZINC000737981455 600572306 /nfs/dbraw/zinc/57/23/06/600572306.db2.gz LCOIYBXIOSGWSO-YTQUADARSA-N 0 1 392.496 3.304 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(OCC(=O)[O-])cc3)CC[N@H+]2C)cc1 ZINC000737986939 600573024 /nfs/dbraw/zinc/57/30/24/600573024.db2.gz OAZDZOSQJDWCCS-UWJYYQICSA-N 0 1 399.443 3.008 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCC(=O)NCC(=O)[O-] ZINC000738493712 600574719 /nfs/dbraw/zinc/57/47/19/600574719.db2.gz XHOMYXITTOPQLN-CQSZACIVSA-N 0 1 375.494 3.011 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-] ZINC000738493632 600574846 /nfs/dbraw/zinc/57/48/46/600574846.db2.gz VTJBNFCARPRMDB-OAHLLOKOSA-N 0 1 389.521 3.353 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@H+](C)Cc1ccccc1 ZINC000736218754 600583258 /nfs/dbraw/zinc/58/32/58/600583258.db2.gz BCBXWCYSELPKQM-GFCCVEGCSA-N 0 1 384.461 3.295 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000736218754 600583260 /nfs/dbraw/zinc/58/32/60/600583260.db2.gz BCBXWCYSELPKQM-GFCCVEGCSA-N 0 1 384.461 3.295 20 0 GGADMN C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000736200922 600586997 /nfs/dbraw/zinc/58/69/97/600586997.db2.gz SIURUWYQYPEEKO-HNNXBMFYSA-N 0 1 390.430 3.289 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000736812801 600598153 /nfs/dbraw/zinc/59/81/53/600598153.db2.gz WNYZFBJBMKYEET-LLGFUMIMSA-N 0 1 396.487 3.194 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000736812801 600598155 /nfs/dbraw/zinc/59/81/55/600598155.db2.gz WNYZFBJBMKYEET-LLGFUMIMSA-N 0 1 396.487 3.194 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000736812797 600598285 /nfs/dbraw/zinc/59/82/85/600598285.db2.gz WNYZFBJBMKYEET-FVJLSDCUSA-N 0 1 396.487 3.194 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000736812797 600598287 /nfs/dbraw/zinc/59/82/87/600598287.db2.gz WNYZFBJBMKYEET-FVJLSDCUSA-N 0 1 396.487 3.194 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000156333073 600605434 /nfs/dbraw/zinc/60/54/34/600605434.db2.gz JDXKOFXAFIQMLU-IRXDYDNUSA-N 0 1 382.460 3.027 20 0 GGADMN CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736880112 600622877 /nfs/dbraw/zinc/62/28/77/600622877.db2.gz LFIBIEDHEVSCER-CWFSZBLJSA-N 0 1 385.508 3.180 20 0 GGADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736880111 600623020 /nfs/dbraw/zinc/62/30/20/600623020.db2.gz LFIBIEDHEVSCER-BEVDRBHNSA-N 0 1 385.508 3.180 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000738253410 600623300 /nfs/dbraw/zinc/62/33/00/600623300.db2.gz PEDNBSWBMHIVNI-SMDDNHRTSA-N 0 1 378.270 3.488 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000738253410 600623301 /nfs/dbraw/zinc/62/33/01/600623301.db2.gz PEDNBSWBMHIVNI-SMDDNHRTSA-N 0 1 378.270 3.488 20 0 GGADMN COC1CCC([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC000737734100 600629152 /nfs/dbraw/zinc/62/91/52/600629152.db2.gz NYHTVBFKGAQNAB-HSBZDZAISA-N 0 1 394.537 3.399 20 0 GGADMN Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])n(C(C)(C)C)n1 ZINC000738428475 600639928 /nfs/dbraw/zinc/63/99/28/600639928.db2.gz VUJPTGNSTACOKA-HNNXBMFYSA-N 0 1 386.496 3.108 20 0 GGADMN C[C@@H](CN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000736582428 600640015 /nfs/dbraw/zinc/64/00/15/600640015.db2.gz HSQANGKANVOTCI-ROUUACIJSA-N 0 1 380.488 3.183 20 0 GGADMN C[C@@H](CN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000736582428 600640016 /nfs/dbraw/zinc/64/00/16/600640016.db2.gz HSQANGKANVOTCI-ROUUACIJSA-N 0 1 380.488 3.183 20 0 GGADMN C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000736582426 600640099 /nfs/dbraw/zinc/64/00/99/600640099.db2.gz HSQANGKANVOTCI-QZTJIDSGSA-N 0 1 380.488 3.183 20 0 GGADMN C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000736582426 600640101 /nfs/dbraw/zinc/64/01/01/600640101.db2.gz HSQANGKANVOTCI-QZTJIDSGSA-N 0 1 380.488 3.183 20 0 GGADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000737448977 600640811 /nfs/dbraw/zinc/64/08/11/600640811.db2.gz LXMFPJHWXCGCGB-UHFFFAOYSA-N 0 1 382.460 3.000 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738588285 600642815 /nfs/dbraw/zinc/64/28/15/600642815.db2.gz BIBVRGWRNKNXQT-HXUWFJFHSA-N 0 1 381.476 3.408 20 0 GGADMN CN(C(=O)[O-])c1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000737332454 600682626 /nfs/dbraw/zinc/68/26/26/600682626.db2.gz NXNWMJSBBDENDO-IBGZPJMESA-N 0 1 383.448 3.030 20 0 GGADMN CN(C(=O)[O-])c1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000737332454 600682629 /nfs/dbraw/zinc/68/26/29/600682629.db2.gz NXNWMJSBBDENDO-IBGZPJMESA-N 0 1 383.448 3.030 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)Cn1c(=O)scc1-c1ccccn1)C(=O)[O-] ZINC000736585835 600685913 /nfs/dbraw/zinc/68/59/13/600685913.db2.gz XEAGLAUOVSFIJM-OAHLLOKOSA-N 0 1 383.473 3.152 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)Cn1c(=O)scc1-c1ccccn1)C(=O)[O-] ZINC000736585835 600685914 /nfs/dbraw/zinc/68/59/14/600685914.db2.gz XEAGLAUOVSFIJM-OAHLLOKOSA-N 0 1 383.473 3.152 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000832978898 600690014 /nfs/dbraw/zinc/69/00/14/600690014.db2.gz RNMLPWWNUCVJKG-KRWDZBQOSA-N 0 1 381.476 3.233 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736814283 600692358 /nfs/dbraw/zinc/69/23/58/600692358.db2.gz JVXXEUFXXBCCKJ-GOSISDBHSA-N 0 1 380.488 3.440 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000833223784 600714076 /nfs/dbraw/zinc/71/40/76/600714076.db2.gz SRTZDKHSAKTMIC-SFHVURJKSA-N 0 1 397.500 3.465 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000833223784 600714079 /nfs/dbraw/zinc/71/40/79/600714079.db2.gz SRTZDKHSAKTMIC-SFHVURJKSA-N 0 1 397.500 3.465 20 0 GGADMN CC(C)OCCC[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736485208 600716402 /nfs/dbraw/zinc/71/64/02/600716402.db2.gz USDOGWIRIVPIFE-UHFFFAOYSA-N 0 1 377.268 3.377 20 0 GGADMN CC(C)OCCC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736485208 600716403 /nfs/dbraw/zinc/71/64/03/600716403.db2.gz USDOGWIRIVPIFE-UHFFFAOYSA-N 0 1 377.268 3.377 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737020878 600716816 /nfs/dbraw/zinc/71/68/16/600716816.db2.gz MZLBQMNMHGSHCY-OLMNPRSZSA-N 0 1 385.464 3.059 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000263566189 600716952 /nfs/dbraw/zinc/71/69/52/600716952.db2.gz FZGORGLNEMEUAS-LJQANCHMSA-N 0 1 380.444 3.313 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000263467615 600717113 /nfs/dbraw/zinc/71/71/13/600717113.db2.gz KJKLGOGYAAIWIF-LJQANCHMSA-N 0 1 380.444 3.313 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000263467615 600717115 /nfs/dbraw/zinc/71/71/15/600717115.db2.gz KJKLGOGYAAIWIF-LJQANCHMSA-N 0 1 380.444 3.313 20 0 GGADMN CC(C)[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C1CCOCC1 ZINC000736801003 600717581 /nfs/dbraw/zinc/71/75/81/600717581.db2.gz IFOGQHKKJGJNMJ-CYBMUJFWSA-N 0 1 394.537 3.399 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1C ZINC000737111801 600717890 /nfs/dbraw/zinc/71/78/90/600717890.db2.gz FOQMPPXCCRAAQE-ZIAGYGMSSA-N 0 1 393.553 3.068 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C1 ZINC000830149358 600718091 /nfs/dbraw/zinc/71/80/91/600718091.db2.gz GWMRMCYSKYHQKY-WDEREUQCSA-N 0 1 376.320 3.216 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C1 ZINC000830149356 600718154 /nfs/dbraw/zinc/71/81/54/600718154.db2.gz GWMRMCYSKYHQKY-MNOVXSKESA-N 0 1 376.320 3.216 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000830722625 600718775 /nfs/dbraw/zinc/71/87/75/600718775.db2.gz GFKZQBZNANUSOP-GOSISDBHSA-N 0 1 378.476 3.146 20 0 GGADMN CCn1c(-c2cccs2)nn(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000830408223 600719381 /nfs/dbraw/zinc/71/93/81/600719381.db2.gz OQNNJSDQDHEGCL-UHFFFAOYSA-N 0 1 396.538 3.076 20 0 GGADMN CCn1c(-c2cccs2)nn(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1=S ZINC000830408223 600719382 /nfs/dbraw/zinc/71/93/82/600719382.db2.gz OQNNJSDQDHEGCL-UHFFFAOYSA-N 0 1 396.538 3.076 20 0 GGADMN O=C([O-])CC[N@H+](Cn1nc(-c2ccccc2)sc1=S)C1CCOCC1 ZINC000833235783 600720092 /nfs/dbraw/zinc/72/00/92/600720092.db2.gz CQDKHTOAAHNLOX-UHFFFAOYSA-N 0 1 379.507 3.254 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1nc(-c2ccccc2)sc1=S)C1CCOCC1 ZINC000833235783 600720095 /nfs/dbraw/zinc/72/00/95/600720095.db2.gz CQDKHTOAAHNLOX-UHFFFAOYSA-N 0 1 379.507 3.254 20 0 GGADMN Cc1ccc(-c2nn(C[N@H+](CCC(=O)[O-])C3CCOCC3)c(=S)o2)cc1C ZINC000832909070 600720436 /nfs/dbraw/zinc/72/04/36/600720436.db2.gz VOBNWXYNBMNGPY-UHFFFAOYSA-N 0 1 391.493 3.403 20 0 GGADMN Cc1ccc(-c2nn(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c(=S)o2)cc1C ZINC000832909070 600720438 /nfs/dbraw/zinc/72/04/38/600720438.db2.gz VOBNWXYNBMNGPY-UHFFFAOYSA-N 0 1 391.493 3.403 20 0 GGADMN Cc1ccc(-c2nn(C[N@H+](CCC(=O)[O-])C3CCOCC3)c(=S)o2)cc1 ZINC000832909095 600720453 /nfs/dbraw/zinc/72/04/53/600720453.db2.gz WEDJASHZLHZDNV-UHFFFAOYSA-N 0 1 377.466 3.094 20 0 GGADMN Cc1ccc(-c2nn(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c(=S)o2)cc1 ZINC000832909095 600720454 /nfs/dbraw/zinc/72/04/54/600720454.db2.gz WEDJASHZLHZDNV-UHFFFAOYSA-N 0 1 377.466 3.094 20 0 GGADMN O=C([O-])CC[N@H+](Cn1nc(-c2ccccc2Cl)oc1=S)C1CCOCC1 ZINC000833236660 600720807 /nfs/dbraw/zinc/72/08/07/600720807.db2.gz VRAFGPBCRVQKMU-UHFFFAOYSA-N 0 1 397.884 3.439 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1nc(-c2ccccc2Cl)oc1=S)C1CCOCC1 ZINC000833236660 600720811 /nfs/dbraw/zinc/72/08/11/600720811.db2.gz VRAFGPBCRVQKMU-UHFFFAOYSA-N 0 1 397.884 3.439 20 0 GGADMN Cc1ccc(-c2nn(C[N@H+](CCC(=O)[O-])C3CCOCC3)c(=S)o2)c(C)c1 ZINC000832908006 600721694 /nfs/dbraw/zinc/72/16/94/600721694.db2.gz DXAHMHVCKAJBGV-UHFFFAOYSA-N 0 1 391.493 3.403 20 0 GGADMN Cc1ccc(-c2nn(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c(=S)o2)c(C)c1 ZINC000832908006 600721695 /nfs/dbraw/zinc/72/16/95/600721695.db2.gz DXAHMHVCKAJBGV-UHFFFAOYSA-N 0 1 391.493 3.403 20 0 GGADMN CN(Cc1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1)C(=O)[O-] ZINC000830831443 600722935 /nfs/dbraw/zinc/72/29/35/600722935.db2.gz XZHRKDFEXHIAKD-HXUWFJFHSA-N 0 1 397.475 3.026 20 0 GGADMN CN(Cc1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1)C(=O)[O-] ZINC000830831443 600722937 /nfs/dbraw/zinc/72/29/37/600722937.db2.gz XZHRKDFEXHIAKD-HXUWFJFHSA-N 0 1 397.475 3.026 20 0 GGADMN C[C@@H]1CCN(C(=O)NCCCCCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000382627186 600724490 /nfs/dbraw/zinc/72/44/90/600724490.db2.gz UEUFAXBGSNCRTA-GOSISDBHSA-N 0 1 375.513 3.328 20 0 GGADMN C[C@H]1CCN(C(=O)NCCCCCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000382627187 600724516 /nfs/dbraw/zinc/72/45/16/600724516.db2.gz UEUFAXBGSNCRTA-SFHVURJKSA-N 0 1 375.513 3.328 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[C@@H]1C ZINC000737111753 600725038 /nfs/dbraw/zinc/72/50/38/600725038.db2.gz DHBIUYSHRJHCJE-QWHCGFSZSA-N 0 1 396.534 3.093 20 0 GGADMN COCC(=O)Nc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000831540949 600736765 /nfs/dbraw/zinc/73/67/65/600736765.db2.gz IEHJZYFCRJCKSR-QGZVFWFLSA-N 0 1 397.258 3.494 20 0 GGADMN COCC(=O)Nc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000831540948 600737074 /nfs/dbraw/zinc/73/70/74/600737074.db2.gz IEHJZYFCRJCKSR-KRWDZBQOSA-N 0 1 397.258 3.494 20 0 GGADMN COCCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000831773731 600739308 /nfs/dbraw/zinc/73/93/08/600739308.db2.gz HWCJEYCRQWBZAV-MRXNPFEDSA-N 0 1 385.247 3.329 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736815886 600744738 /nfs/dbraw/zinc/74/47/38/600744738.db2.gz ZKOLTQQKOXRBNC-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000820344122 600748453 /nfs/dbraw/zinc/74/84/53/600748453.db2.gz PUIRJDIAUBVMHS-XEVCZEQESA-N 0 1 387.524 3.183 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000830928749 600754484 /nfs/dbraw/zinc/75/44/84/600754484.db2.gz PVIDAVWKUUFVPT-CRAIPNDOSA-N 0 1 379.526 3.027 20 0 GGADMN COc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000737996176 600759419 /nfs/dbraw/zinc/75/94/19/600759419.db2.gz BFICHWJVHXNRRV-IBGZPJMESA-N 0 1 382.460 3.064 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000736586217 600762955 /nfs/dbraw/zinc/76/29/55/600762955.db2.gz ZAXIWYJUEULMIU-FUHWJXTLSA-N 0 1 376.497 3.466 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000571651290 600763396 /nfs/dbraw/zinc/76/33/96/600763396.db2.gz RAZXBRZLFSHSFQ-FUHWJXTLSA-N 0 1 387.505 3.329 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000830718838 600764469 /nfs/dbraw/zinc/76/44/69/600764469.db2.gz ZWZHZQJTCSSISG-HXUWFJFHSA-N 0 1 395.503 3.091 20 0 GGADMN C[C@@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828276412 600765464 /nfs/dbraw/zinc/76/54/64/600765464.db2.gz CEOFWIWVIJZRTK-GOSISDBHSA-N 0 1 395.503 3.233 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659759144 600790348 /nfs/dbraw/zinc/79/03/48/600790348.db2.gz BNUZMTGSABBJOO-IBGZPJMESA-N 0 1 396.487 3.134 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000829688325 600790652 /nfs/dbraw/zinc/79/06/52/600790652.db2.gz ZORBMKJPAUNPOZ-MOPGFXCFSA-N 0 1 375.513 3.039 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000829688326 600790926 /nfs/dbraw/zinc/79/09/26/600790926.db2.gz ZORBMKJPAUNPOZ-OALUTQOASA-N 0 1 375.513 3.039 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000737514606 600791662 /nfs/dbraw/zinc/79/16/62/600791662.db2.gz NBHZWMMPHVMUQV-GFCCVEGCSA-N 0 1 392.297 3.474 20 0 GGADMN COc1ccc([C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)cc1 ZINC000832274138 600794750 /nfs/dbraw/zinc/79/47/50/600794750.db2.gz VMECVUBFROGWEW-YOEHRIQHSA-N 0 1 386.473 3.050 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+]([C@H]1CCN(c3sccc3C(=O)[O-])C1=O)C2 ZINC000832493434 600796083 /nfs/dbraw/zinc/79/60/83/600796083.db2.gz CAQFIZBTAFUHHL-KRWDZBQOSA-N 0 1 386.473 3.009 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+]([C@H]1CCN(c3sccc3C(=O)[O-])C1=O)C2 ZINC000832493434 600796086 /nfs/dbraw/zinc/79/60/86/600796086.db2.gz CAQFIZBTAFUHHL-KRWDZBQOSA-N 0 1 386.473 3.009 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000832601358 600797951 /nfs/dbraw/zinc/79/79/51/600797951.db2.gz JITNGVPBHGZOJI-CZUORRHYSA-N 0 1 386.473 3.050 20 0 GGADMN COc1ccccc1[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000832601356 600797959 /nfs/dbraw/zinc/79/79/59/600797959.db2.gz JITNGVPBHGZOJI-BBRMVZONSA-N 0 1 386.473 3.050 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000830643561 600799323 /nfs/dbraw/zinc/79/93/23/600799323.db2.gz JQVNIURMAGGEMT-MSOLQXFVSA-N 0 1 399.516 3.455 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738237912 600799862 /nfs/dbraw/zinc/79/98/62/600799862.db2.gz XXQZXBIGVVKKLZ-RDJZCZTQSA-N 0 1 380.448 3.129 20 0 GGADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cn1 ZINC000737049608 600801163 /nfs/dbraw/zinc/80/11/63/600801163.db2.gz DBFFEFYYORDXTB-UHFFFAOYSA-N 0 1 399.495 3.040 20 0 GGADMN CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cn1 ZINC000737049608 600801165 /nfs/dbraw/zinc/80/11/65/600801165.db2.gz DBFFEFYYORDXTB-UHFFFAOYSA-N 0 1 399.495 3.040 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738533184 600801497 /nfs/dbraw/zinc/80/14/97/600801497.db2.gz OBRZIKCHWLZMGM-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738533184 600801499 /nfs/dbraw/zinc/80/14/99/600801499.db2.gz OBRZIKCHWLZMGM-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736649891 600809098 /nfs/dbraw/zinc/80/90/98/600809098.db2.gz XNBZHIBLFWQULY-BEFAXECRSA-N 0 1 398.463 3.188 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736649891 600809099 /nfs/dbraw/zinc/80/90/99/600809099.db2.gz XNBZHIBLFWQULY-BEFAXECRSA-N 0 1 398.463 3.188 20 0 GGADMN Cc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C(=O)[O-] ZINC000738442285 600810771 /nfs/dbraw/zinc/81/07/71/600810771.db2.gz OWQSQTGITRKCAR-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C(=O)[O-] ZINC000738442285 600810774 /nfs/dbraw/zinc/81/07/74/600810774.db2.gz OWQSQTGITRKCAR-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C(=O)[O-] ZINC000738442291 600810906 /nfs/dbraw/zinc/81/09/06/600810906.db2.gz OWQSQTGITRKCAR-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C(=O)[O-] ZINC000738442291 600810908 /nfs/dbraw/zinc/81/09/08/600810908.db2.gz OWQSQTGITRKCAR-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN NC(=O)c1ccc(C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C2CC2)cc1 ZINC000833084599 600816007 /nfs/dbraw/zinc/81/60/07/600816007.db2.gz UECYYUGMRXUDEO-UHFFFAOYSA-N 0 1 388.851 3.181 20 0 GGADMN COc1cccc(N2CC[NH+](CCOc3ccc(C(=O)[O-])cc3Cl)CC2)c1 ZINC000832561911 600816171 /nfs/dbraw/zinc/81/61/71/600816171.db2.gz FVYBKAOCKYJODG-UHFFFAOYSA-N 0 1 390.867 3.248 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000829873905 600818901 /nfs/dbraw/zinc/81/89/01/600818901.db2.gz VZFBHAIUXGYQEC-LBPRGKRZSA-N 0 1 396.509 3.001 20 0 GGADMN C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830795567 600819164 /nfs/dbraw/zinc/81/91/64/600819164.db2.gz ZBQBVYMPTFZLNE-CQSZACIVSA-N 0 1 394.880 3.216 20 0 GGADMN C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830795567 600819166 /nfs/dbraw/zinc/81/91/66/600819166.db2.gz ZBQBVYMPTFZLNE-CQSZACIVSA-N 0 1 394.880 3.216 20 0 GGADMN COc1ccc(CCC[N@@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832300095 600819585 /nfs/dbraw/zinc/81/95/85/600819585.db2.gz YOLLUXBSKBEQEE-KRWDZBQOSA-N 0 1 388.489 3.125 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc(N(C)C)c1)CC2 ZINC000652452788 600820675 /nfs/dbraw/zinc/82/06/75/600820675.db2.gz RIZPIRCAAVHCGD-LJQANCHMSA-N 0 1 384.476 3.344 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829394839 600820824 /nfs/dbraw/zinc/82/08/24/600820824.db2.gz AFUCXJSJDONDBH-GDBMZVCRSA-N 0 1 396.915 3.434 20 0 GGADMN CN(c1ccccc1)C1CC[NH+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000830888322 600821234 /nfs/dbraw/zinc/82/12/34/600821234.db2.gz KGWPDFMEOMECDO-SFHVURJKSA-N 0 1 399.516 3.152 20 0 GGADMN O=C([O-])c1ccc(OCC[N@H+]2CCCN(c3nccs3)CC2)c(Cl)c1 ZINC000833321679 600821401 /nfs/dbraw/zinc/82/14/01/600821401.db2.gz ZGAVPKZHEJIWFV-UHFFFAOYSA-N 0 1 381.885 3.086 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829216546 600821875 /nfs/dbraw/zinc/82/18/75/600821875.db2.gz NUWOCCOYWCNRAI-HOCLYGCPSA-N 0 1 396.915 3.434 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829216547 600821882 /nfs/dbraw/zinc/82/18/82/600821882.db2.gz NUWOCCOYWCNRAI-ZBFHGGJFSA-N 0 1 396.915 3.434 20 0 GGADMN Cc1cccc(NC2CC[NH+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)c1 ZINC000832971441 600822967 /nfs/dbraw/zinc/82/29/67/600822967.db2.gz ZFQLKWCIUOXJED-GOSISDBHSA-N 0 1 399.516 3.437 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829184132 600823479 /nfs/dbraw/zinc/82/34/79/600823479.db2.gz HEJBYJLTNXENPK-CQSZACIVSA-N 0 1 382.888 3.045 20 0 GGADMN CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC[N@H+]1CCOC ZINC000829149021 600826215 /nfs/dbraw/zinc/82/62/15/600826215.db2.gz COXDFTFTCSPQLJ-SFHVURJKSA-N 0 1 389.521 3.051 20 0 GGADMN O=C([O-])c1cccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)c1 ZINC000833328727 600826866 /nfs/dbraw/zinc/82/68/66/600826866.db2.gz DSIYJMZYIMLPNU-UHFFFAOYSA-N 0 1 377.444 3.358 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cs2)c1 ZINC000833326338 600831147 /nfs/dbraw/zinc/83/11/47/600831147.db2.gz OXNAYZVICQVFKA-AWEZNQCLSA-N 0 1 383.477 3.012 20 0 GGADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000828200622 600835406 /nfs/dbraw/zinc/83/54/06/600835406.db2.gz HZRFGDMPFSBNIN-HSSOGYSNSA-N 0 1 383.492 3.374 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000828185538 600836805 /nfs/dbraw/zinc/83/68/05/600836805.db2.gz XUGGLGFPWKNWTO-LPTQZCDUSA-N 0 1 396.462 3.247 20 0 GGADMN CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)cs1 ZINC000820377817 600839303 /nfs/dbraw/zinc/83/93/03/600839303.db2.gz JDJOXXXJNMCKOC-OAHLLOKOSA-N 0 1 389.521 3.257 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000828192862 600840519 /nfs/dbraw/zinc/84/05/19/600840519.db2.gz SOFOILHPEVRIJN-GQWLDOHISA-N 0 1 396.462 3.247 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000828192862 600840520 /nfs/dbraw/zinc/84/05/20/600840520.db2.gz SOFOILHPEVRIJN-GQWLDOHISA-N 0 1 396.462 3.247 20 0 GGADMN Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000832982265 600844431 /nfs/dbraw/zinc/84/44/31/600844431.db2.gz QUDLETWYZFDBBQ-ONTIZHBOSA-N 0 1 383.488 3.259 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000164534622 600844948 /nfs/dbraw/zinc/84/49/48/600844948.db2.gz SNLPSOWTDASDRG-NRFANRHFSA-N 0 1 380.488 3.055 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000833107643 600847995 /nfs/dbraw/zinc/84/79/95/600847995.db2.gz XITXILIYMZBHKT-ZDUSSCGKSA-N 0 1 376.503 3.499 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000833107643 600847997 /nfs/dbraw/zinc/84/79/97/600847997.db2.gz XITXILIYMZBHKT-ZDUSSCGKSA-N 0 1 376.503 3.499 20 0 GGADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829044148 600848489 /nfs/dbraw/zinc/84/84/89/600848489.db2.gz MRHHORILICXWKB-RBZFPXEDSA-N 0 1 376.453 3.011 20 0 GGADMN CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829044150 600848730 /nfs/dbraw/zinc/84/87/30/600848730.db2.gz MRHHORILICXWKB-XCLFUZPHSA-N 0 1 376.453 3.011 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)CC2)[nH+]c1 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FYERLYXDTBXMNP-SFHVURJKSA-N 0 1 378.432 3.254 20 0 GGADMN O=C([O-])c1n[nH]c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)cc21 ZINC000833344196 600883748 /nfs/dbraw/zinc/88/37/48/600883748.db2.gz FYERLYXDTBXMNP-GOSISDBHSA-N 0 1 378.432 3.254 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000830853207 600904390 /nfs/dbraw/zinc/90/43/90/600904390.db2.gz ZVQWHJWIYDXLEI-SFHVURJKSA-N 0 1 391.471 3.072 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)CC2)cs1 ZINC000738855259 600909647 /nfs/dbraw/zinc/90/96/47/600909647.db2.gz OJDRWUKWOBVOKE-INIZCTEOSA-N 0 1 399.516 3.269 20 0 GGADMN Cc1[nH]c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000738153429 600914819 /nfs/dbraw/zinc/91/48/19/600914819.db2.gz CRPWPSNPEKRJHG-GUYCJALGSA-N 0 1 375.494 3.204 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000830856155 600918317 /nfs/dbraw/zinc/91/83/17/600918317.db2.gz JBOFXMUGWVFGKH-OAQYLSRUSA-N 0 1 389.455 3.269 20 0 GGADMN C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000827958255 600920386 /nfs/dbraw/zinc/92/03/86/600920386.db2.gz RTXVMMOYFTWCGA-OWCLPIDISA-N 0 1 385.464 3.335 20 0 GGADMN O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000833347971 600928642 /nfs/dbraw/zinc/92/86/42/600928642.db2.gz XMCIMDNZQFXFMB-QGZVFWFLSA-N 0 1 395.484 3.275 20 0 GGADMN O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000833347971 600928644 /nfs/dbraw/zinc/92/86/44/600928644.db2.gz XMCIMDNZQFXFMB-QGZVFWFLSA-N 0 1 395.484 3.275 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])CC[N@H+]1C ZINC000736762427 600929343 /nfs/dbraw/zinc/92/93/43/600929343.db2.gz QQCJEOCPKZFQJT-KBPBESRZSA-N 0 1 388.489 3.483 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000833263645 600931498 /nfs/dbraw/zinc/93/14/98/600931498.db2.gz PLWQMUSZSOUIRL-SFHVURJKSA-N 0 1 385.489 3.003 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000833263645 600931500 /nfs/dbraw/zinc/93/15/00/600931500.db2.gz PLWQMUSZSOUIRL-SFHVURJKSA-N 0 1 385.489 3.003 20 0 GGADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000736230261 600933642 /nfs/dbraw/zinc/93/36/42/600933642.db2.gz JNAIOOPKHYNTDD-QGZVFWFLSA-N 0 1 381.476 3.295 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C(=O)[O-])cc1 ZINC000832923236 600940126 /nfs/dbraw/zinc/94/01/26/600940126.db2.gz WJNQXMHYPNEMPK-SFTDATJTSA-N 0 1 380.488 3.334 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1sc(C)nc1C)CC2 ZINC000520594593 600947637 /nfs/dbraw/zinc/94/76/37/600947637.db2.gz ODOSZCULNVPKCS-OAHLLOKOSA-N 0 1 376.478 3.351 20 0 GGADMN Cc1nc(C)c(C[NH+]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)s1 ZINC000738848474 600949335 /nfs/dbraw/zinc/94/93/35/600949335.db2.gz VSNDSIAYUUHQKI-KRWDZBQOSA-N 0 1 379.913 3.357 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000833182650 600954415 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XFFDKUKSLMPUTB-AWEZNQCLSA-N 0 1 383.473 3.056 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000738293106 600967566 /nfs/dbraw/zinc/96/75/66/600967566.db2.gz XFFDKUKSLMPUTB-AWEZNQCLSA-N 0 1 383.473 3.056 20 0 GGADMN O=C([O-])c1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000833096720 600969892 /nfs/dbraw/zinc/96/98/92/600969892.db2.gz BVBHCHHAFRNLRV-INIZCTEOSA-N 0 1 388.851 3.268 20 0 GGADMN O=C([O-])c1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Cl ZINC000833096720 600969893 /nfs/dbraw/zinc/96/98/93/600969893.db2.gz BVBHCHHAFRNLRV-INIZCTEOSA-N 0 1 388.851 3.268 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000737983503 600969979 /nfs/dbraw/zinc/96/99/79/600969979.db2.gz AXSLPSKQVZFUJP-AZUAARDMSA-N 0 1 399.487 3.088 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000737985512 600970696 /nfs/dbraw/zinc/97/06/96/600970696.db2.gz YEZQWFYURLUXHE-QGZVFWFLSA-N 0 1 382.460 3.287 20 0 GGADMN CCC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000737007368 600973515 /nfs/dbraw/zinc/97/35/15/600973515.db2.gz GEBIWFCSRLCZTQ-MOPGFXCFSA-N 0 1 394.556 3.150 20 0 GGADMN CCC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000737007371 600973745 /nfs/dbraw/zinc/97/37/45/600973745.db2.gz GEBIWFCSRLCZTQ-RTBURBONSA-N 0 1 394.556 3.150 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000736905560 600974157 /nfs/dbraw/zinc/97/41/57/600974157.db2.gz JGFJVNWCDWFCCX-AWEZNQCLSA-N 0 1 385.489 3.444 20 0 GGADMN O=C([O-])[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccn1 ZINC000833108088 600974994 /nfs/dbraw/zinc/97/49/94/600974994.db2.gz ZMHXJAIIUOTKQD-QFIPXVFZSA-N 0 1 389.455 3.026 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N(C)c3ccccc3C(=O)[O-])C2)cc1 ZINC000737985076 600980721 /nfs/dbraw/zinc/98/07/21/600980721.db2.gz SPJOKSUZXSXUST-GOSISDBHSA-N 0 1 396.487 3.311 20 0 GGADMN CCN(C(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2s1 ZINC000829591029 600986170 /nfs/dbraw/zinc/98/61/70/600986170.db2.gz MKGNDCJBIHQLLG-IMJJTQAJSA-N 0 1 387.505 3.367 20 0 GGADMN CCN(C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2s1 ZINC000829591029 600986172 /nfs/dbraw/zinc/98/61/72/600986172.db2.gz MKGNDCJBIHQLLG-IMJJTQAJSA-N 0 1 387.505 3.367 20 0 GGADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000829275650 600988737 /nfs/dbraw/zinc/98/87/37/600988737.db2.gz FESZGRHWHPRUTQ-OCCSQVGLSA-N 0 1 398.301 3.138 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000833141664 600989204 /nfs/dbraw/zinc/98/92/04/600989204.db2.gz XPKBAUVCPZRQPU-LRDDRELGSA-N 0 1 385.291 3.357 20 0 GGADMN CCOCC[N@H+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000830012328 601000637 /nfs/dbraw/zinc/00/06/37/601000637.db2.gz YKEDNFPGZRHWRL-WBMJQRKESA-N 0 1 375.296 3.162 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000830755867 601001965 /nfs/dbraw/zinc/00/19/65/601001965.db2.gz HQXXOPMNRKRLFK-QGZVFWFLSA-N 0 1 388.512 3.323 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000830717760 601003889 /nfs/dbraw/zinc/00/38/89/601003889.db2.gz HUSPHHFHEFSHGJ-GOSISDBHSA-N 0 1 397.475 3.136 20 0 GGADMN C[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828276660 601004879 /nfs/dbraw/zinc/00/48/79/601004879.db2.gz DTVOZNODOJOEHI-QGZVFWFLSA-N 0 1 397.475 3.278 20 0 GGADMN O=C([O-])C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(F)c1 ZINC000833247972 601005575 /nfs/dbraw/zinc/00/55/75/601005575.db2.gz FEPIAEKTACHIGD-UHFFFAOYSA-N 0 1 384.329 3.158 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+](CCC(=O)[O-])C(C)C)s2)c1 ZINC000832967121 601009519 /nfs/dbraw/zinc/00/95/19/601009519.db2.gz NUSNUAYHBJDALB-UHFFFAOYSA-N 0 1 375.494 3.166 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1csc(CC(=O)Nc3ccccc3)n1)CC2 ZINC000833119892 601009802 /nfs/dbraw/zinc/00/98/02/601009802.db2.gz VALXRUOFPBQKGK-INIZCTEOSA-N 0 1 385.489 3.011 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000826210888 607483056 /nfs/dbraw/zinc/48/30/56/607483056.db2.gz INFAFOIRBNQQHR-GOSISDBHSA-N 0 1 395.463 3.230 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000830852618 601014170 /nfs/dbraw/zinc/01/41/70/601014170.db2.gz RDKZBCPFRUUBMU-CQSZACIVSA-N 0 1 389.402 3.401 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000833221839 601014196 /nfs/dbraw/zinc/01/41/96/601014196.db2.gz ROTYZSKRMWYELE-GOSISDBHSA-N 0 1 384.501 3.108 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000833221839 601014199 /nfs/dbraw/zinc/01/41/99/601014199.db2.gz ROTYZSKRMWYELE-GOSISDBHSA-N 0 1 384.501 3.108 20 0 GGADMN COc1ccc(-n2c(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])nc3ccccc32)cc1 ZINC000652484114 601017350 /nfs/dbraw/zinc/01/73/50/601017350.db2.gz JKQWQYGCKRUZQT-MRXNPFEDSA-N 0 1 397.500 3.426 20 0 GGADMN COc1ccc(-n2c(C[N@H+]3CCSC[C@H]3CC(=O)[O-])nc3ccccc32)cc1 ZINC000652484114 601017354 /nfs/dbraw/zinc/01/73/54/601017354.db2.gz JKQWQYGCKRUZQT-MRXNPFEDSA-N 0 1 397.500 3.426 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000319906683 601019546 /nfs/dbraw/zinc/01/95/46/601019546.db2.gz YBHLFNMMZGNURN-JTQLQIEISA-N 0 1 377.293 3.214 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642344 601021565 /nfs/dbraw/zinc/02/15/65/601021565.db2.gz JRMBGAOOIMINLM-NWDGAFQWSA-N 0 1 376.375 3.162 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000833222824 601021595 /nfs/dbraw/zinc/02/15/95/601021595.db2.gz AYVKQAQQKLMZFH-JTQLQIEISA-N 0 1 388.276 3.436 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000833222824 601021597 /nfs/dbraw/zinc/02/15/97/601021597.db2.gz AYVKQAQQKLMZFH-JTQLQIEISA-N 0 1 388.276 3.436 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000828184353 601021742 /nfs/dbraw/zinc/02/17/42/601021742.db2.gz PKTDAJXYJBMMLJ-KXJOEGPQSA-N 0 1 378.469 3.100 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])c2cc1Cl ZINC000830229567 601022157 /nfs/dbraw/zinc/02/21/57/601022157.db2.gz YUIQEKRTFYBTSU-ZDUSSCGKSA-N 0 1 381.881 3.401 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])c2cc1Cl ZINC000830229567 601022159 /nfs/dbraw/zinc/02/21/59/601022159.db2.gz YUIQEKRTFYBTSU-ZDUSSCGKSA-N 0 1 381.881 3.401 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000321500619 601023329 /nfs/dbraw/zinc/02/33/29/601023329.db2.gz ABYNLYONZFGCMH-LLVKDONJSA-N 0 1 377.293 3.214 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833021005 601026240 /nfs/dbraw/zinc/02/62/40/601026240.db2.gz FKEXQCUVRODREL-HNNXBMFYSA-N 0 1 379.913 3.285 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833021005 601026243 /nfs/dbraw/zinc/02/62/43/601026243.db2.gz FKEXQCUVRODREL-HNNXBMFYSA-N 0 1 379.913 3.285 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000825822419 601026977 /nfs/dbraw/zinc/02/69/77/601026977.db2.gz BPGUYCXQAIGCMT-FXAWDEMLSA-N 0 1 385.464 3.047 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000825823761 601027282 /nfs/dbraw/zinc/02/72/82/601027282.db2.gz SQSXFEPUNCTEEY-ZFWWWQNUSA-N 0 1 389.452 3.273 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000825823761 601027286 /nfs/dbraw/zinc/02/72/86/601027286.db2.gz SQSXFEPUNCTEEY-ZFWWWQNUSA-N 0 1 389.452 3.273 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736219329 601031364 /nfs/dbraw/zinc/03/13/64/601031364.db2.gz ONZVWGCVPILKGN-PWSUYJOCSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736219329 601031367 /nfs/dbraw/zinc/03/13/67/601031367.db2.gz ONZVWGCVPILKGN-PWSUYJOCSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736219133 601032422 /nfs/dbraw/zinc/03/24/22/601032422.db2.gz WQEODKGMPZGDPQ-GJZGRUSLSA-N 0 1 388.464 3.242 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c(C)c1C(=O)[O-] ZINC000832844448 601037399 /nfs/dbraw/zinc/03/73/99/601037399.db2.gz QGHCOEGMNJZEQP-NSHDSACASA-N 0 1 398.385 3.134 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c(C)c1C(=O)[O-] ZINC000832844448 601037401 /nfs/dbraw/zinc/03/74/01/601037401.db2.gz QGHCOEGMNJZEQP-NSHDSACASA-N 0 1 398.385 3.134 20 0 GGADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833009046 601038004 /nfs/dbraw/zinc/03/80/04/601038004.db2.gz JTDIAXAQDQPPIB-UHFFFAOYSA-N 0 1 384.371 3.126 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccccc3)nc2c1 ZINC000833325107 601044420 /nfs/dbraw/zinc/04/44/20/601044420.db2.gz JRZXRWQSSMUPOK-VQIMIIECSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccccc3)nc2c1 ZINC000833325107 601044424 /nfs/dbraw/zinc/04/44/24/601044424.db2.gz JRZXRWQSSMUPOK-VQIMIIECSA-N 0 1 393.443 3.122 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843442 601046017 /nfs/dbraw/zinc/04/60/17/601046017.db2.gz WZVATWNGQZNUIG-IEBWSBKVSA-N 0 1 397.519 3.355 20 0 GGADMN O[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)c1c(Cl)cccc1Cl ZINC000823681296 607484940 /nfs/dbraw/zinc/48/49/40/607484940.db2.gz DHGVMXPKNBAQBG-AWEZNQCLSA-N 0 1 382.226 3.136 20 0 GGADMN C[C@H](c1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000827934062 601047693 /nfs/dbraw/zinc/04/76/93/601047693.db2.gz BVMNCCMEYPYYHA-OXQOHEQNSA-N 0 1 397.475 3.070 20 0 GGADMN Cc1[nH]c(C(=O)CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843713 601047674 /nfs/dbraw/zinc/04/76/74/601047674.db2.gz GAKNCCRSINDNJC-HNNXBMFYSA-N 0 1 383.492 3.109 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000827934060 601047775 /nfs/dbraw/zinc/04/77/75/601047775.db2.gz BVMNCCMEYPYYHA-JXFKEZNVSA-N 0 1 397.475 3.070 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000827934061 601047793 /nfs/dbraw/zinc/04/77/93/601047793.db2.gz BVMNCCMEYPYYHA-OXJNMPFZSA-N 0 1 397.475 3.070 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CCOCC1 ZINC000568984222 601048742 /nfs/dbraw/zinc/04/87/42/601048742.db2.gz SIGPNCUCZQOPQK-UHFFFAOYSA-N 0 1 382.460 3.248 20 0 GGADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000833232873 601050515 /nfs/dbraw/zinc/05/05/15/601050515.db2.gz QGCRQOBXYZUBSP-UHFFFAOYSA-N 0 1 389.279 3.278 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000830717752 601051580 /nfs/dbraw/zinc/05/15/80/601051580.db2.gz HHNXSIABQJVOFZ-IBGZPJMESA-N 0 1 396.491 3.440 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000650506586 601051831 /nfs/dbraw/zinc/05/18/31/601051831.db2.gz RERQXDXAIOVNMN-INIZCTEOSA-N 0 1 387.505 3.462 20 0 GGADMN CCC[N@H+]1Cc2cccc(N[C@H]3CCN(c4sccc4C(=O)[O-])C3=O)c2C1 ZINC000829508489 601053349 /nfs/dbraw/zinc/05/33/49/601053349.db2.gz UCKTUWHQBNMVED-KRWDZBQOSA-N 0 1 385.489 3.389 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+](CCC(=O)[O-])C(C)C)cs1 ZINC000832978378 601056075 /nfs/dbraw/zinc/05/60/75/601056075.db2.gz CLEBWKOAYQUXMG-UHFFFAOYSA-N 0 1 375.494 3.318 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829381550 601073732 /nfs/dbraw/zinc/07/37/32/601073732.db2.gz ZEFKZHPDCSMGQB-UHFFFAOYSA-N 0 1 390.253 3.140 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000738480030 601081882 /nfs/dbraw/zinc/08/18/82/601081882.db2.gz UCBSTRCFQPTXQI-AZUAARDMSA-N 0 1 384.451 3.022 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])CC2)[nH+]c1 ZINC000832936577 601086291 /nfs/dbraw/zinc/08/62/91/601086291.db2.gz LLLQTFKMIDEUEN-PMACEKPBSA-N 0 1 399.535 3.488 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000630224840 601088975 /nfs/dbraw/zinc/08/89/75/601088975.db2.gz QALWTMXTPDYDNO-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)CN1C[C@@H](c2cccc(F)c2)CC1=O)C(=O)[O-] ZINC000736586253 601089771 /nfs/dbraw/zinc/08/97/71/601089771.db2.gz ZPVWNLWNEMUZBS-LPHOPBHVSA-N 0 1 384.451 3.322 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585778 601090052 /nfs/dbraw/zinc/09/00/52/601090052.db2.gz VTBRSYRPQYINLS-SJORKVTESA-N 0 1 395.459 3.024 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585778 601090056 /nfs/dbraw/zinc/09/00/56/601090056.db2.gz VTBRSYRPQYINLS-SJORKVTESA-N 0 1 395.459 3.024 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000630222422 601090272 /nfs/dbraw/zinc/09/02/72/601090272.db2.gz DWTOIAYUHUBWGR-INIZCTEOSA-N 0 1 376.522 3.099 20 0 GGADMN Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1 ZINC000738761824 601090343 /nfs/dbraw/zinc/09/03/43/601090343.db2.gz XSDCJOBFCNPQKU-UYAOXDASSA-N 0 1 380.488 3.491 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000738253239 601090366 /nfs/dbraw/zinc/09/03/66/601090366.db2.gz NETOIBMHLLZNFH-AWEZNQCLSA-N 0 1 378.270 3.174 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000738253239 601090369 /nfs/dbraw/zinc/09/03/69/601090369.db2.gz NETOIBMHLLZNFH-AWEZNQCLSA-N 0 1 378.270 3.174 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000738252624 601091042 /nfs/dbraw/zinc/09/10/42/601091042.db2.gz GWCYUDMIGUKNLR-CYBMUJFWSA-N 0 1 386.290 3.033 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@H+](Cn3nc(C(=O)[O-])c(Cl)c3C)C2)cc1 ZINC000737987256 601091202 /nfs/dbraw/zinc/09/12/02/601091202.db2.gz YNEGKRNAGQNSLI-HNNXBMFYSA-N 0 1 377.872 3.464 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(C(=O)[O-])c(Cl)c3C)C2)cc1 ZINC000737987256 601091205 /nfs/dbraw/zinc/09/12/05/601091205.db2.gz YNEGKRNAGQNSLI-HNNXBMFYSA-N 0 1 377.872 3.464 20 0 GGADMN COc1cc(-c2ccccc2)sc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000630226228 601098095 /nfs/dbraw/zinc/09/80/95/601098095.db2.gz YWXZTWABOSVFTH-CQSZACIVSA-N 0 1 388.489 3.045 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000630223486 601101968 /nfs/dbraw/zinc/10/19/68/601101968.db2.gz JJGJAWXZZPWGNO-ZDUSSCGKSA-N 0 1 376.840 3.221 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000827379304 601102867 /nfs/dbraw/zinc/10/28/67/601102867.db2.gz FQAYWXBAHFDKGH-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000827379302 601102942 /nfs/dbraw/zinc/10/29/42/601102942.db2.gz FQAYWXBAHFDKGH-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000826800927 601106227 /nfs/dbraw/zinc/10/62/27/601106227.db2.gz RNMAPQZWONNOGN-CRAIPNDOSA-N 0 1 377.485 3.028 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000827379393 601106369 /nfs/dbraw/zinc/10/63/69/601106369.db2.gz HPCVDYFNWYNGNX-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN Cc1[nH]c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c(C)c1C(=O)[O-] ZINC000832846521 601106776 /nfs/dbraw/zinc/10/67/76/601106776.db2.gz SKZDDULDOCTGCB-CYBMUJFWSA-N 0 1 385.464 3.303 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000827379394 601106853 /nfs/dbraw/zinc/10/68/53/601106853.db2.gz HPCVDYFNWYNGNX-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828295495 601108535 /nfs/dbraw/zinc/10/85/35/601108535.db2.gz IMLCJSMITPUTHT-SFHVURJKSA-N 0 1 380.488 3.440 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828295494 601108590 /nfs/dbraw/zinc/10/85/90/601108590.db2.gz IMLCJSMITPUTHT-GOSISDBHSA-N 0 1 380.488 3.440 20 0 GGADMN CCc1[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000830184019 601108762 /nfs/dbraw/zinc/10/87/62/601108762.db2.gz QJZPQJVBGDDNCY-OAHLLOKOSA-N 0 1 383.492 3.320 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CCOc3cccc(C(=O)[O-])c3)C2)o1 ZINC000736524012 601114643 /nfs/dbraw/zinc/11/46/43/601114643.db2.gz YDQZBTAZPZZXMJ-KRWDZBQOSA-N 0 1 387.480 3.081 20 0 GGADMN C[C@@H]1c2ccccc2C[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000828527901 601117090 /nfs/dbraw/zinc/11/70/90/601117090.db2.gz QELVDGISXAUURL-JLTOFOAXSA-N 0 1 377.444 3.298 20 0 GGADMN C[C@@H]1c2ccccc2C[N@@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000828527901 601117092 /nfs/dbraw/zinc/11/70/92/601117092.db2.gz QELVDGISXAUURL-JLTOFOAXSA-N 0 1 377.444 3.298 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148647 601119276 /nfs/dbraw/zinc/11/92/76/601119276.db2.gz BYVBTKUKJXKDSZ-LPHOPBHVSA-N 0 1 381.476 3.346 20 0 GGADMN Cc1[nH]c(C(=O)CN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000832843733 601120392 /nfs/dbraw/zinc/12/03/92/601120392.db2.gz GDFPCZACSWDPPF-HNNXBMFYSA-N 0 1 383.492 3.109 20 0 GGADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000833011423 601127222 /nfs/dbraw/zinc/12/72/22/601127222.db2.gz VYICIGWQUNSNNJ-INIZCTEOSA-N 0 1 386.452 3.373 20 0 GGADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833011427 601130093 /nfs/dbraw/zinc/13/00/93/601130093.db2.gz WBCHDUYEOKMADR-CYBMUJFWSA-N 0 1 394.378 3.188 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828456994 601130344 /nfs/dbraw/zinc/13/03/44/601130344.db2.gz PNMYJZPETZUXMZ-OXQOHEQNSA-N 0 1 396.491 3.486 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828456992 601130361 /nfs/dbraw/zinc/13/03/61/601130361.db2.gz PNMYJZPETZUXMZ-OXJNMPFZSA-N 0 1 396.491 3.486 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829486984 601134976 /nfs/dbraw/zinc/13/49/76/601134976.db2.gz PNPFWOVLIGIICH-UHFFFAOYSA-N 0 1 390.253 3.140 20 0 GGADMN Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946090 601143266 /nfs/dbraw/zinc/14/32/66/601143266.db2.gz KETXRKPCUIWHBD-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946090 601143269 /nfs/dbraw/zinc/14/32/69/601143269.db2.gz KETXRKPCUIWHBD-OXJNMPFZSA-N 0 1 397.475 3.104 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000827915545 601147289 /nfs/dbraw/zinc/14/72/89/601147289.db2.gz ODGUDXTZMGFNSY-AWEZNQCLSA-N 0 1 390.480 3.253 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828295615 601148284 /nfs/dbraw/zinc/14/82/84/601148284.db2.gz LEKCDJXHGGLWHX-GOSISDBHSA-N 0 1 375.513 3.328 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000248514249 601149595 /nfs/dbraw/zinc/14/95/95/601149595.db2.gz DWDAOGWASWVLTE-NXHRZFHOSA-N 0 1 399.516 3.291 20 0 GGADMN Cc1oc(CN(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C(=O)[O-] ZINC000833025078 601152070 /nfs/dbraw/zinc/15/20/70/601152070.db2.gz AFRJNWAQWQICCX-HNNXBMFYSA-N 0 1 387.480 3.338 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000833285939 601158316 /nfs/dbraw/zinc/15/83/16/601158316.db2.gz KLMJSEILTSRBKJ-UHFFFAOYSA-N 0 1 377.510 3.144 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000833336618 601158429 /nfs/dbraw/zinc/15/84/29/601158429.db2.gz SMGYLBAEKSJPTO-AWEZNQCLSA-N 0 1 380.535 3.303 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000833336618 601158430 /nfs/dbraw/zinc/15/84/30/601158430.db2.gz SMGYLBAEKSJPTO-AWEZNQCLSA-N 0 1 380.535 3.303 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828167531 601160988 /nfs/dbraw/zinc/16/09/88/601160988.db2.gz HRGDYHGXSRBHRA-UTKZUKDTSA-N 0 1 380.488 3.487 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000831364792 601179208 /nfs/dbraw/zinc/17/92/08/601179208.db2.gz OFUIVPBJLYFJJZ-BIENJYKASA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000831364792 601179211 /nfs/dbraw/zinc/17/92/11/601179211.db2.gz OFUIVPBJLYFJJZ-BIENJYKASA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000831364794 601179472 /nfs/dbraw/zinc/17/94/72/601179472.db2.gz OFUIVPBJLYFJJZ-NJSLBKSFSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000831364794 601179473 /nfs/dbraw/zinc/17/94/73/601179473.db2.gz OFUIVPBJLYFJJZ-NJSLBKSFSA-N 0 1 396.443 3.191 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)cs2)c1 ZINC000582306997 601181699 /nfs/dbraw/zinc/18/16/99/601181699.db2.gz PJGMKDZWQWZHQP-SFHVURJKSA-N 0 1 388.489 3.278 20 0 GGADMN C[C@@]1(O)CC[N@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C1 ZINC000828110866 601183006 /nfs/dbraw/zinc/18/30/06/601183006.db2.gz XWAHHFXKHFNIQH-GOSISDBHSA-N 0 1 394.880 3.162 20 0 GGADMN C[C@@]1(O)CC[N@@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C1 ZINC000828110866 601183008 /nfs/dbraw/zinc/18/30/08/601183008.db2.gz XWAHHFXKHFNIQH-GOSISDBHSA-N 0 1 394.880 3.162 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C)c1C(=O)[O-] ZINC000832844150 601183743 /nfs/dbraw/zinc/18/37/43/601183743.db2.gz XDWWQXWTFSHFCI-QHCPKHFHSA-N 0 1 395.503 3.458 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000833183945 601183980 /nfs/dbraw/zinc/18/39/80/601183980.db2.gz APRXAKPLCYUYBQ-VIZSFHNOSA-N 0 1 384.520 3.392 20 0 GGADMN C[N@H+](CC(=O)NCCC(=O)[O-])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830674869 601184446 /nfs/dbraw/zinc/18/44/46/601184446.db2.gz UDCAEASLGRCUEP-IBGZPJMESA-N 0 1 378.831 3.091 20 0 GGADMN C[N@@H+](CC(=O)NCCC(=O)[O-])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830674869 601184447 /nfs/dbraw/zinc/18/44/47/601184447.db2.gz UDCAEASLGRCUEP-IBGZPJMESA-N 0 1 378.831 3.091 20 0 GGADMN O=C([O-])CCCOc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000833228471 601186354 /nfs/dbraw/zinc/18/63/54/601186354.db2.gz WZGFIMJERFXSEN-GOSISDBHSA-N 0 1 388.508 3.201 20 0 GGADMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829160235 601191858 /nfs/dbraw/zinc/19/18/58/601191858.db2.gz GFCANLNAOZUWCV-IRXDYDNUSA-N 0 1 386.496 3.076 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000829458033 601191879 /nfs/dbraw/zinc/19/18/79/601191879.db2.gz IFSCYZKGNYRZRW-INIZCTEOSA-N 0 1 388.512 3.181 20 0 GGADMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829160234 601191976 /nfs/dbraw/zinc/19/19/76/601191976.db2.gz GFCANLNAOZUWCV-IAGOWNOFSA-N 0 1 386.496 3.076 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000830785363 601193581 /nfs/dbraw/zinc/19/35/81/601193581.db2.gz PUGPWALIDIYWFQ-UHFFFAOYSA-N 0 1 379.819 3.431 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828177466 601196723 /nfs/dbraw/zinc/19/67/23/601196723.db2.gz RHDRRLHHUQIPAK-LPHOPBHVSA-N 0 1 397.475 3.325 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000832902471 601197941 /nfs/dbraw/zinc/19/79/41/601197941.db2.gz XMWODBKDGVKXNV-LJQANCHMSA-N 0 1 386.423 3.201 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000832902471 601197943 /nfs/dbraw/zinc/19/79/43/601197943.db2.gz XMWODBKDGVKXNV-LJQANCHMSA-N 0 1 386.423 3.201 20 0 GGADMN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000826051056 601202163 /nfs/dbraw/zinc/20/21/63/601202163.db2.gz ABNZGTIKVDAQPI-KPZWWZAWSA-N 0 1 381.388 3.017 20 0 GGADMN O=C([O-])C1CC[NH+](CCCNC(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000833138437 601209646 /nfs/dbraw/zinc/20/96/46/601209646.db2.gz VAPGKUCDIWTQOT-UHFFFAOYSA-N 0 1 390.867 3.115 20 0 GGADMN CC[N@H+]1CCCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000829771238 601251734 /nfs/dbraw/zinc/25/17/34/601251734.db2.gz TZCFJGBYBDJTQL-UHFFFAOYSA-N 0 1 378.270 3.228 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000832919391 601267892 /nfs/dbraw/zinc/26/78/92/601267892.db2.gz HTMMDTFUFNZXBC-CQSZACIVSA-N 0 1 399.472 3.227 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000832851983 601267967 /nfs/dbraw/zinc/26/79/67/601267967.db2.gz LZXSMQNXGPBBCL-AWEZNQCLSA-N 0 1 399.472 3.227 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263307066 601270851 /nfs/dbraw/zinc/27/08/51/601270851.db2.gz XWOUSSCXVAAYLB-JXFKEZNVSA-N 0 1 381.476 3.095 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000833325247 601283333 /nfs/dbraw/zinc/28/33/33/601283333.db2.gz NDYQSGIFJZBQBY-FQEVSTJZSA-N 0 1 382.435 3.421 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000833325247 601283334 /nfs/dbraw/zinc/28/33/34/601283334.db2.gz NDYQSGIFJZBQBY-FQEVSTJZSA-N 0 1 382.435 3.421 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921974 601284183 /nfs/dbraw/zinc/28/41/83/601284183.db2.gz NIFHDGPULVQSSM-UXHICEINSA-N 0 1 384.451 3.083 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921974 601284184 /nfs/dbraw/zinc/28/41/84/601284184.db2.gz NIFHDGPULVQSSM-UXHICEINSA-N 0 1 384.451 3.083 20 0 GGADMN O=C([O-])c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000833141198 601286265 /nfs/dbraw/zinc/28/62/65/601286265.db2.gz ULDFHUFXUOKADS-KRWDZBQOSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000833141198 601286267 /nfs/dbraw/zinc/28/62/67/601286267.db2.gz ULDFHUFXUOKADS-KRWDZBQOSA-N 0 1 387.867 3.218 20 0 GGADMN COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC000826194239 607503410 /nfs/dbraw/zinc/50/34/10/607503410.db2.gz GGMUOXAGFRLGQA-MRXNPFEDSA-N 0 1 395.438 3.109 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000414629146 601315064 /nfs/dbraw/zinc/31/50/64/601315064.db2.gz QJCUJZOWABEDMT-QFIPXVFZSA-N 0 1 387.524 3.329 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828257382 601316468 /nfs/dbraw/zinc/31/64/68/601316468.db2.gz BMTLQZDCBJXFDZ-HNNXBMFYSA-N 0 1 385.464 3.229 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828456244 601332682 /nfs/dbraw/zinc/33/26/82/601332682.db2.gz JSSIYUZKDBGKHE-LAUBAEHRSA-N 0 1 395.503 3.137 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829760678 601333671 /nfs/dbraw/zinc/33/36/71/601333671.db2.gz VEXDPFFLSZCQBP-SJORKVTESA-N 0 1 386.496 3.076 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828455652 601334866 /nfs/dbraw/zinc/33/48/66/601334866.db2.gz DRJYSLOZVHQDCD-OXQOHEQNSA-N 0 1 397.475 3.182 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000828456003 601334979 /nfs/dbraw/zinc/33/49/79/601334979.db2.gz IEHKJDOFZGKUTF-HRAATJIYSA-N 0 1 393.487 3.321 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000828456009 601335090 /nfs/dbraw/zinc/33/50/90/601335090.db2.gz IEHKJDOFZGKUTF-KKSFZXQISA-N 0 1 393.487 3.321 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829162809 601336990 /nfs/dbraw/zinc/33/69/90/601336990.db2.gz UFFDPTDEXZVXMU-ZWKOTPCHSA-N 0 1 391.537 3.485 20 0 GGADMN O=C([O-])c1cccc(OCc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000833332302 601368404 /nfs/dbraw/zinc/36/84/04/601368404.db2.gz LAXITRZVNRRZNS-QGZVFWFLSA-N 0 1 394.431 3.121 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000830368724 601415862 /nfs/dbraw/zinc/41/58/62/601415862.db2.gz ARDWRIILNNWWCZ-HNNXBMFYSA-N 0 1 375.400 3.075 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000830369206 601420367 /nfs/dbraw/zinc/42/03/67/601420367.db2.gz LHLWQCHUULYEON-KRWDZBQOSA-N 0 1 398.459 3.468 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000830369206 601420369 /nfs/dbraw/zinc/42/03/69/601420369.db2.gz LHLWQCHUULYEON-KRWDZBQOSA-N 0 1 398.459 3.468 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829688129 601423758 /nfs/dbraw/zinc/42/37/58/601423758.db2.gz VQSTXTXGLACSKI-IBGZPJMESA-N 0 1 387.524 3.185 20 0 GGADMN C[C@]([NH2+]CCOc1ccc(C(=O)[O-])cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000827734013 601424027 /nfs/dbraw/zinc/42/40/27/601424027.db2.gz AOSSEUWTEWTJGK-GOSISDBHSA-N 0 1 397.258 3.061 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829688133 601424596 /nfs/dbraw/zinc/42/45/96/601424596.db2.gz VQSTXTXGLACSKI-LJQANCHMSA-N 0 1 387.524 3.185 20 0 GGADMN COc1ccc(OC)c([C@H](O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000832431340 601433554 /nfs/dbraw/zinc/43/35/54/601433554.db2.gz NMVZTAKHMFKDFU-ATZDWAIDSA-N 0 1 377.481 3.093 20 0 GGADMN O=C([O-])c1cc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)n2)c[nH]1 ZINC000833295090 601449504 /nfs/dbraw/zinc/44/95/04/601449504.db2.gz ZBVYGJIAFNEORN-GFCCVEGCSA-N 0 1 388.493 3.430 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000829170378 601457829 /nfs/dbraw/zinc/45/78/29/601457829.db2.gz PGXNTATZVSNZQO-GOEBONIOSA-N 0 1 391.489 3.204 20 0 GGADMN CN(C(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000830478942 601465504 /nfs/dbraw/zinc/46/55/04/601465504.db2.gz XVHINENECMZSEU-IBGZPJMESA-N 0 1 396.487 3.071 20 0 GGADMN CN(C(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000830478942 601465505 /nfs/dbraw/zinc/46/55/05/601465505.db2.gz XVHINENECMZSEU-IBGZPJMESA-N 0 1 396.487 3.071 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828378368 601478621 /nfs/dbraw/zinc/47/86/21/601478621.db2.gz QFMPDVRLAVZRGF-BEFAXECRSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828378368 601478623 /nfs/dbraw/zinc/47/86/23/601478623.db2.gz QFMPDVRLAVZRGF-BEFAXECRSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828378402 601478700 /nfs/dbraw/zinc/47/87/00/601478700.db2.gz QJYIVUYAVHGQOR-HNAYVOBHSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828378402 601478702 /nfs/dbraw/zinc/47/87/02/601478702.db2.gz QJYIVUYAVHGQOR-HNAYVOBHSA-N 0 1 398.463 3.048 20 0 GGADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1ncc(-c2ccccc2Br)o1 ZINC000831586454 601487476 /nfs/dbraw/zinc/48/74/76/601487476.db2.gz XDOQLKFMEAMEJJ-INIZCTEOSA-N 0 1 383.242 3.074 20 0 GGADMN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)no1 ZINC000833229343 601493637 /nfs/dbraw/zinc/49/36/37/601493637.db2.gz CBMQQOBNNXNWHW-MSOLQXFVSA-N 0 1 387.480 3.345 20 0 GGADMN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)no1 ZINC000833229343 601493639 /nfs/dbraw/zinc/49/36/39/601493639.db2.gz CBMQQOBNNXNWHW-MSOLQXFVSA-N 0 1 387.480 3.345 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263304625 601505778 /nfs/dbraw/zinc/50/57/78/601505778.db2.gz HAZQACMXIDMQMG-MDYRTPRTSA-N 0 1 382.460 3.336 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000828430245 601519599 /nfs/dbraw/zinc/51/95/99/601519599.db2.gz ALWXZXFVTCGIFD-WNYOCNMUSA-N 0 1 386.879 3.198 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000263366388 601528083 /nfs/dbraw/zinc/52/80/83/601528083.db2.gz UAFSPZVSHCUXMX-CRAIPNDOSA-N 0 1 396.491 3.121 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567857495 601528263 /nfs/dbraw/zinc/52/82/63/601528263.db2.gz GXFYDLQUVMASLM-HNCHTBHHSA-N 0 1 375.494 3.235 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567857495 601528266 /nfs/dbraw/zinc/52/82/66/601528266.db2.gz GXFYDLQUVMASLM-HNCHTBHHSA-N 0 1 375.494 3.235 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000422593743 601529488 /nfs/dbraw/zinc/52/94/88/601529488.db2.gz VGMSVELWRHAXJF-QFIXIFRTSA-N 0 1 384.451 3.026 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828433467 601529960 /nfs/dbraw/zinc/52/99/60/601529960.db2.gz VGMSVELWRHAXJF-MFMILTCTSA-N 0 1 384.451 3.026 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000828430254 601538358 /nfs/dbraw/zinc/53/83/58/601538358.db2.gz AORGBDFHYDSTJR-HEFCMCLBSA-N 0 1 386.879 3.198 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422747 601539965 /nfs/dbraw/zinc/53/99/65/601539965.db2.gz JCURTBXIRIKMBD-SCVCMEIPSA-N 0 1 395.431 3.068 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000833179475 601540544 /nfs/dbraw/zinc/54/05/44/601540544.db2.gz NSKYAAQYPLWZGX-OAGGEKHMSA-N 0 1 390.446 3.143 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000833179473 601540581 /nfs/dbraw/zinc/54/05/81/601540581.db2.gz NSKYAAQYPLWZGX-JYJNAYRXSA-N 0 1 390.446 3.143 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000833107427 601541979 /nfs/dbraw/zinc/54/19/79/601541979.db2.gz VVRCCTOIXDOFAY-AEFFLSMTSA-N 0 1 388.512 3.292 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000833107427 601541980 /nfs/dbraw/zinc/54/19/80/601541980.db2.gz VVRCCTOIXDOFAY-AEFFLSMTSA-N 0 1 388.512 3.292 20 0 GGADMN NC(=O)c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])cs2)cc1 ZINC000833083975 601543168 /nfs/dbraw/zinc/54/31/68/601543168.db2.gz CZKBZBQEGNVDDZ-GOSISDBHSA-N 0 1 393.468 3.093 20 0 GGADMN NC(=O)c1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])cs2)cc1 ZINC000833083975 601543169 /nfs/dbraw/zinc/54/31/69/601543169.db2.gz CZKBZBQEGNVDDZ-GOSISDBHSA-N 0 1 393.468 3.093 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000833195346 601543223 /nfs/dbraw/zinc/54/32/23/601543223.db2.gz BHOWBRUHNFTCQK-JOCHJYFZSA-N 0 1 375.424 3.466 20 0 GGADMN C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(OC)c1 ZINC000571054914 601543675 /nfs/dbraw/zinc/54/36/75/601543675.db2.gz RWIXHGROGAOQGG-LSOHYSJGSA-N 0 1 397.471 3.152 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000662231033 601543744 /nfs/dbraw/zinc/54/37/44/601543744.db2.gz AMXAAJBDHNTICC-IBGZPJMESA-N 0 1 388.851 3.280 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000662231033 601543746 /nfs/dbraw/zinc/54/37/46/601543746.db2.gz AMXAAJBDHNTICC-IBGZPJMESA-N 0 1 388.851 3.280 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000584236919 601544084 /nfs/dbraw/zinc/54/40/84/601544084.db2.gz CSILNPPQMUHZKR-YJBOKZPZSA-N 0 1 395.377 3.129 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000662231085 601544523 /nfs/dbraw/zinc/54/45/23/601544523.db2.gz BIOIONVAMAAPTG-IBGZPJMESA-N 0 1 390.842 3.122 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000662231086 601544744 /nfs/dbraw/zinc/54/47/44/601544744.db2.gz BIOIONVAMAAPTG-LJQANCHMSA-N 0 1 390.842 3.122 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000833195887 601549030 /nfs/dbraw/zinc/54/90/30/601549030.db2.gz SUAYOYZAAVQQCT-IRXDYDNUSA-N 0 1 376.250 3.167 20 0 GGADMN CCc1ccc(NC(=O)c2nnc(C[NH2+][C@](C)(CC)CC(=O)[O-])s2)cc1 ZINC000830254024 601556484 /nfs/dbraw/zinc/55/64/84/601556484.db2.gz RLHWFCUYDZVCSW-GOSISDBHSA-N 0 1 376.482 3.086 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H](Nc3nc(Cl)c(C(=O)[O-])s3)C2)cc(OC)c1 ZINC000831995753 601563073 /nfs/dbraw/zinc/56/30/73/601563073.db2.gz NVIAVNWCUONCMS-LLVKDONJSA-N 0 1 397.884 3.198 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863367 601563110 /nfs/dbraw/zinc/56/31/10/601563110.db2.gz NYGSRBIOSNJGFH-QGZVFWFLSA-N 0 1 384.476 3.017 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000830908434 601563951 /nfs/dbraw/zinc/56/39/51/601563951.db2.gz VPBXHVJUBLWIFN-RXVVDRJESA-N 0 1 391.471 3.038 20 0 GGADMN CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC000829413264 601564300 /nfs/dbraw/zinc/56/43/00/601564300.db2.gz JJRAWSZERZKMIX-SJORKVTESA-N 0 1 387.480 3.449 20 0 GGADMN CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC000829413264 601564301 /nfs/dbraw/zinc/56/43/01/601564301.db2.gz JJRAWSZERZKMIX-SJORKVTESA-N 0 1 387.480 3.449 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000833104706 601586106 /nfs/dbraw/zinc/58/61/06/601586106.db2.gz DGPCJIRNCZHVSQ-FQEVSTJZSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000833104706 601586107 /nfs/dbraw/zinc/58/61/07/601586107.db2.gz DGPCJIRNCZHVSQ-FQEVSTJZSA-N 0 1 382.460 3.047 20 0 GGADMN COCCCn1c(C)cc(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1C ZINC000831705542 601594058 /nfs/dbraw/zinc/59/40/58/601594058.db2.gz QWOCGYHQTVWMHP-QRQLOZEOSA-N 0 1 376.497 3.042 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000832928710 601601815 /nfs/dbraw/zinc/60/18/15/601601815.db2.gz GTJDAJDJXQNETG-XLIONFOSSA-N 0 1 397.475 3.355 20 0 GGADMN O=C([O-])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cn1 ZINC000653306751 601605834 /nfs/dbraw/zinc/60/58/34/601605834.db2.gz WCMUBUMSTAKNIP-UHFFFAOYSA-N 0 1 393.487 3.441 20 0 GGADMN 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UEOOJZFEHWRQEX-GAJHUEQPSA-N 0 1 396.487 3.034 20 0 GGADMN C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827586685 601734464 /nfs/dbraw/zinc/73/44/64/601734464.db2.gz SSRGCKXTPKXALK-GAJHUEQPSA-N 0 1 398.478 3.240 20 0 GGADMN Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000833042201 601734864 /nfs/dbraw/zinc/73/48/64/601734864.db2.gz YUZKPFUYBSEAGC-HSZRJFAPSA-N 0 1 391.471 3.028 20 0 GGADMN O=C([O-])[C@]1(NC(=O)/C=C\c2ccccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833094800 601735077 /nfs/dbraw/zinc/73/50/77/601735077.db2.gz KTQGDFOWLTXMBN-GJCOWUBNSA-N 0 1 382.435 3.075 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2ccc(Cl)s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128837 601736203 /nfs/dbraw/zinc/73/62/03/601736203.db2.gz NWVQMFZMSKYHQB-GOSISDBHSA-N 0 1 378.881 3.251 20 0 GGADMN O=C([O-])[C@]1(NC(=O)C/C=C/c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833096036 601740771 /nfs/dbraw/zinc/74/07/71/601740771.db2.gz GGDYSQASYNKKND-WAWJGKILSA-N 0 1 396.462 3.465 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000826881519 601756151 /nfs/dbraw/zinc/75/61/51/601756151.db2.gz XKZZNYLEDFWAFZ-LBPRGKRZSA-N 0 1 385.411 3.086 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000826881518 601756397 /nfs/dbraw/zinc/75/63/97/601756397.db2.gz XKZZNYLEDFWAFZ-GFCCVEGCSA-N 0 1 385.411 3.086 20 0 GGADMN Cc1ccccc1NCCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832978878 601778260 /nfs/dbraw/zinc/77/82/60/601778260.db2.gz QWYSCTRIULHCRY-HSZRJFAPSA-N 0 1 395.503 3.033 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832955028 601800432 /nfs/dbraw/zinc/80/04/32/601800432.db2.gz BVFWYAXPLMAPSE-AWEZNQCLSA-N 0 1 399.472 3.227 20 0 GGADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833348435 601808047 /nfs/dbraw/zinc/80/80/47/601808047.db2.gz KPJWHATYZSZWLO-GFCCVEGCSA-N 0 1 379.869 3.345 20 0 GGADMN O=C([O-])c1sccc1C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000833348142 601811128 /nfs/dbraw/zinc/81/11/28/601811128.db2.gz BDRNZFXJXXVBIY-UHFFFAOYSA-N 0 1 390.896 3.065 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000832848934 601813126 /nfs/dbraw/zinc/81/31/26/601813126.db2.gz PGQHJRXHVMDYCD-GFCCVEGCSA-N 0 1 382.233 3.238 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000832848934 601813128 /nfs/dbraw/zinc/81/31/28/601813128.db2.gz PGQHJRXHVMDYCD-GFCCVEGCSA-N 0 1 382.233 3.238 20 0 GGADMN COc1ccc(Nc2nn(C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c(=S)s2)cc1 ZINC000832419280 601813262 /nfs/dbraw/zinc/81/32/62/601813262.db2.gz GPSHSCULMUZOHI-GWCFXTLKSA-N 0 1 380.495 3.036 20 0 GGADMN COc1ccc(Nc2nn(C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c(=S)s2)cc1 ZINC000832419280 601813263 /nfs/dbraw/zinc/81/32/63/601813263.db2.gz GPSHSCULMUZOHI-GWCFXTLKSA-N 0 1 380.495 3.036 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000659774052 601814645 /nfs/dbraw/zinc/81/46/45/601814645.db2.gz GGIVPZQAIFYRTB-GOSISDBHSA-N 0 1 376.472 3.141 20 0 GGADMN C[C@H]1C[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828463926 601816520 /nfs/dbraw/zinc/81/65/20/601816520.db2.gz SFDSAJHWOPWQPL-GWCFXTLKSA-N 0 1 382.233 3.062 20 0 GGADMN C[C@H]1C[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828463926 601816521 /nfs/dbraw/zinc/81/65/21/601816521.db2.gz SFDSAJHWOPWQPL-GWCFXTLKSA-N 0 1 382.233 3.062 20 0 GGADMN C[C@H]1C[N@@H+](Cn2ccn(-c3ccc(Br)cc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828463150 601818560 /nfs/dbraw/zinc/81/85/60/601818560.db2.gz OWNNTRPNZAOUDL-FZMZJTMJSA-N 0 1 396.310 3.381 20 0 GGADMN COc1cccc(Nc2nn(C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c(=S)s2)c1 ZINC000832562672 601819920 /nfs/dbraw/zinc/81/99/20/601819920.db2.gz QGNXYCOHGKPOLF-GWCFXTLKSA-N 0 1 380.495 3.036 20 0 GGADMN COc1cccc(Nc2nn(C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c(=S)s2)c1 ZINC000832562672 601819921 /nfs/dbraw/zinc/81/99/21/601819921.db2.gz QGNXYCOHGKPOLF-GWCFXTLKSA-N 0 1 380.495 3.036 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCC(C(=O)[O-])CC3)n2)cc1C ZINC000263559683 601822544 /nfs/dbraw/zinc/82/25/44/601822544.db2.gz BDHNWKSHFHXVEV-UHFFFAOYSA-N 0 1 387.505 3.470 20 0 GGADMN COC(=O)c1sccc1C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000831479073 601822867 /nfs/dbraw/zinc/82/28/67/601822867.db2.gz IRENPOVVMRCZCB-LBPRGKRZSA-N 0 1 384.251 3.213 20 0 GGADMN COC(=O)c1sccc1C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000831479070 601822991 /nfs/dbraw/zinc/82/29/91/601822991.db2.gz IRENPOVVMRCZCB-GFCCVEGCSA-N 0 1 384.251 3.213 20 0 GGADMN COC(=O)c1sccc1C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000831479399 601826223 /nfs/dbraw/zinc/82/62/23/601826223.db2.gz NHFNMFHPDFQCMF-MRXNPFEDSA-N 0 1 398.278 3.387 20 0 GGADMN C[N@H+](Cc1ccsc1C(=O)[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830865700 601826518 /nfs/dbraw/zinc/82/65/18/601826518.db2.gz UHNQXAWHMJOIBG-CYBMUJFWSA-N 0 1 389.395 3.337 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000829643111 601833448 /nfs/dbraw/zinc/83/34/48/601833448.db2.gz TWHRCTAJCORMDF-LBPRGKRZSA-N 0 1 378.416 3.069 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000825823933 601834237 /nfs/dbraw/zinc/83/42/37/601834237.db2.gz XDTWZWLGMAXALY-OAHLLOKOSA-N 0 1 391.493 3.181 20 0 GGADMN O=C([O-])CCC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000662218654 601839442 /nfs/dbraw/zinc/83/94/42/601839442.db2.gz QLZGEBCRBDJWBA-UHFFFAOYSA-N 0 1 386.414 3.154 20 0 GGADMN C[C@@H]1CCN(C(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)c2ccccc2S1 ZINC000662218649 601842225 /nfs/dbraw/zinc/84/22/25/601842225.db2.gz QHOBBVLKXJFLSG-OAHLLOKOSA-N 0 1 376.522 3.481 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000595881632 601842814 /nfs/dbraw/zinc/84/28/14/601842814.db2.gz DHHFIKDIVNSSQJ-ZDUSSCGKSA-N 0 1 396.509 3.137 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000826026670 601844528 /nfs/dbraw/zinc/84/45/28/601844528.db2.gz PVGTXWFXHMSXDN-LLVKDONJSA-N 0 1 379.457 3.339 20 0 GGADMN CCN(C(=O)C[NH+]1CCC(CCC(=O)[O-])CC1)c1nc2ccccc2s1 ZINC000829596791 601845176 /nfs/dbraw/zinc/84/51/76/601845176.db2.gz CADJQWZOIUBVLT-UHFFFAOYSA-N 0 1 375.494 3.226 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000595882625 601845536 /nfs/dbraw/zinc/84/55/36/601845536.db2.gz NLYKAXTUJPGSDF-UHFFFAOYSA-N 0 1 396.509 3.057 20 0 GGADMN O=C([O-])c1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000666523717 601865501 /nfs/dbraw/zinc/86/55/01/601865501.db2.gz BJJRCBUDIBPEGR-LJQANCHMSA-N 0 1 381.476 3.096 20 0 GGADMN Cc1cc(F)c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000832887289 601871012 /nfs/dbraw/zinc/87/10/12/601871012.db2.gz NITCFEHXMAOAIH-NRFANRHFSA-N 0 1 388.414 3.122 20 0 GGADMN CC1CCC([N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C2CC2)CC1 ZINC000828225523 601873694 /nfs/dbraw/zinc/87/36/94/601873694.db2.gz CFUJYSNVIZHDSJ-UHFFFAOYSA-N 0 1 385.464 3.154 20 0 GGADMN Cc1ccccc1[C@@H]1CCC[N@@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000832977949 601875851 /nfs/dbraw/zinc/87/58/51/601875851.db2.gz ZVMJBTDOJQWLGU-IBGZPJMESA-N 0 1 393.443 3.256 20 0 GGADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000832977949 601875855 /nfs/dbraw/zinc/87/58/55/601875855.db2.gz ZVMJBTDOJQWLGU-IBGZPJMESA-N 0 1 393.443 3.256 20 0 GGADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCCC4(CCCCC4)C3)C2=O)c1 ZINC000833330603 601879637 /nfs/dbraw/zinc/87/96/37/601879637.db2.gz WGYKZTFGGQKYEF-UHFFFAOYSA-N 0 1 385.464 3.157 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000828176521 601881245 /nfs/dbraw/zinc/88/12/45/601881245.db2.gz JJZYCIZCVUYUJG-UZLBHIALSA-N 0 1 396.491 3.281 20 0 GGADMN C[C@H]1C[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000828176510 601881293 /nfs/dbraw/zinc/88/12/93/601881293.db2.gz JJZYCIZCVUYUJG-JXFKEZNVSA-N 0 1 396.491 3.281 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666534807 601886707 /nfs/dbraw/zinc/88/67/07/601886707.db2.gz ORKWHHVKNBDMKC-OXJNMPFZSA-N 0 1 381.476 3.095 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666534806 601886782 /nfs/dbraw/zinc/88/67/82/601886782.db2.gz ORKWHHVKNBDMKC-JXFKEZNVSA-N 0 1 381.476 3.095 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827630182 601887471 /nfs/dbraw/zinc/88/74/71/601887471.db2.gz MKNVVZOWCQTJBS-ZYHUDNBSSA-N 0 1 391.320 3.063 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827630182 601887472 /nfs/dbraw/zinc/88/74/72/601887472.db2.gz MKNVVZOWCQTJBS-ZYHUDNBSSA-N 0 1 391.320 3.063 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827630177 601887539 /nfs/dbraw/zinc/88/75/39/601887539.db2.gz MKNVVZOWCQTJBS-PWSUYJOCSA-N 0 1 391.320 3.063 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827630177 601887541 /nfs/dbraw/zinc/88/75/41/601887541.db2.gz MKNVVZOWCQTJBS-PWSUYJOCSA-N 0 1 391.320 3.063 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000828028880 601888120 /nfs/dbraw/zinc/88/81/20/601888120.db2.gz GMUZYTHNASRZRA-MRXNPFEDSA-N 0 1 382.233 3.206 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000828028880 601888121 /nfs/dbraw/zinc/88/81/21/601888121.db2.gz GMUZYTHNASRZRA-MRXNPFEDSA-N 0 1 382.233 3.206 20 0 GGADMN COc1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])cs2)cc1OC ZINC000565104986 601889341 /nfs/dbraw/zinc/88/93/41/601889341.db2.gz SLPLFWBNPLSYDZ-CQSZACIVSA-N 0 1 394.518 3.219 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CCSC[C@H]3CC(=O)[O-])cs2)cc1OC ZINC000565104986 601889344 /nfs/dbraw/zinc/88/93/44/601889344.db2.gz SLPLFWBNPLSYDZ-CQSZACIVSA-N 0 1 394.518 3.219 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000517380608 601889734 /nfs/dbraw/zinc/88/97/34/601889734.db2.gz BSPOPPVQQBCQMS-HOTGVXAUSA-N 0 1 384.501 3.048 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1F ZINC000831379244 601899958 /nfs/dbraw/zinc/89/99/58/601899958.db2.gz MXWATWPRKDJAOW-INIZCTEOSA-N 0 1 385.313 3.287 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832393926 601901184 /nfs/dbraw/zinc/90/11/84/601901184.db2.gz KFIFDVUINVVKII-GOSISDBHSA-N 0 1 396.365 3.199 20 0 GGADMN C[N@@H+](C[C@H](O)c1c(F)cccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714549 601902459 /nfs/dbraw/zinc/90/24/59/601902459.db2.gz UOLLKLLRVFZLEL-BBRMVZONSA-N 0 1 375.293 3.173 20 0 GGADMN C[N@@H+](CCc1nc(-c2ccccc2)no1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800683 601903129 /nfs/dbraw/zinc/90/31/29/601903129.db2.gz SVMKRNHUINKTNY-KRWDZBQOSA-N 0 1 391.349 3.454 20 0 GGADMN C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830713525 601904456 /nfs/dbraw/zinc/90/44/56/601904456.db2.gz HENABHFEIXYADH-ZBFHGGJFSA-N 0 1 375.293 3.173 20 0 GGADMN COc1ccc(COCC[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000832362211 601904933 /nfs/dbraw/zinc/90/49/33/601904933.db2.gz ABFKTSVICOUBBJ-GOSISDBHSA-N 0 1 383.366 3.387 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832926454 601905058 /nfs/dbraw/zinc/90/50/58/601905058.db2.gz QQRIKLKPFBBJGO-LIRRHRJNSA-N 0 1 397.393 3.218 20 0 GGADMN Cn1c(CC[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)nc2ccccc21 ZINC000830800736 601905107 /nfs/dbraw/zinc/90/51/07/601905107.db2.gz WNWMZZGCVLSJGC-SFHVURJKSA-N 0 1 377.366 3.291 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832926452 601905239 /nfs/dbraw/zinc/90/52/39/601905239.db2.gz QQRIKLKPFBBJGO-IFXJQAMLSA-N 0 1 397.393 3.218 20 0 GGADMN Cc1ccccc1NC(=O)CC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832978506 601907563 /nfs/dbraw/zinc/90/75/63/601907563.db2.gz IIZOPNNGTDGRFH-GOSISDBHSA-N 0 1 380.366 3.499 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000263161593 601910055 /nfs/dbraw/zinc/91/00/55/601910055.db2.gz OWEHPSRXJZCLGY-LJQANCHMSA-N 0 1 376.840 3.013 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000832916447 601910448 /nfs/dbraw/zinc/91/04/48/601910448.db2.gz PGURGJIGQZLYRH-UHFFFAOYSA-N 0 1 380.444 3.153 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000263561525 601914159 /nfs/dbraw/zinc/91/41/59/601914159.db2.gz CEVNPHJCICUVLT-OYHNWAKOSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000263561525 601914162 /nfs/dbraw/zinc/91/41/62/601914162.db2.gz CEVNPHJCICUVLT-OYHNWAKOSA-N 0 1 380.444 3.041 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000833223078 601919290 /nfs/dbraw/zinc/91/92/90/601919290.db2.gz VECJJJXLOTZWQU-HKUYNNGSSA-N 0 1 388.464 3.398 20 0 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COc1cc2c(c(OC)c1OC)CC[N@H+]([C@H](C(=O)[O-])c1ccc(F)cc1)CC2 ZINC000579364758 604470562 /nfs/dbraw/zinc/47/05/62/604470562.db2.gz WPXFJWKHUGTNRF-SFHVURJKSA-N 0 1 389.423 3.078 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@H+]([C@H](C(=O)[O-])c1ccccc1F)CC2 ZINC000583327523 604472839 /nfs/dbraw/zinc/47/28/39/604472839.db2.gz RKLFFKZAWMGCMM-SFHVURJKSA-N 0 1 389.423 3.078 20 0 GGADMN CCc1csc([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(C(=O)OC)c3)C2)n1 ZINC000833676805 604473629 /nfs/dbraw/zinc/47/36/29/604473629.db2.gz TZRDTUOJYAXNGI-DOTOQJQBSA-N 0 1 388.489 3.497 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000832040251 604480024 /nfs/dbraw/zinc/48/00/24/604480024.db2.gz BKHXJDYIFDSTPS-WIYYLYMNSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000832040251 604480027 /nfs/dbraw/zinc/48/00/27/604480027.db2.gz BKHXJDYIFDSTPS-WIYYLYMNSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000832040251 604480030 /nfs/dbraw/zinc/48/00/30/604480030.db2.gz BKHXJDYIFDSTPS-WIYYLYMNSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040269 604480981 /nfs/dbraw/zinc/48/09/81/604480981.db2.gz BNKVTEIFRJFFML-PGRDOPGGSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040269 604480985 /nfs/dbraw/zinc/48/09/85/604480985.db2.gz BNKVTEIFRJFFML-PGRDOPGGSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000832040269 604480988 /nfs/dbraw/zinc/48/09/88/604480988.db2.gz BNKVTEIFRJFFML-PGRDOPGGSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832040269 604480992 /nfs/dbraw/zinc/48/09/92/604480992.db2.gz BNKVTEIFRJFFML-PGRDOPGGSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000832048870 604481213 /nfs/dbraw/zinc/48/12/13/604481213.db2.gz BNAGYZBXQKPEPS-JRGCBEDISA-N 0 1 385.460 3.418 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040267 604481223 /nfs/dbraw/zinc/48/12/23/604481223.db2.gz BNKVTEIFRJFFML-AVRDEDQJSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040267 604481225 /nfs/dbraw/zinc/48/12/25/604481225.db2.gz BNKVTEIFRJFFML-AVRDEDQJSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000832040267 604481227 /nfs/dbraw/zinc/48/12/27/604481227.db2.gz BNKVTEIFRJFFML-AVRDEDQJSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832040267 604481228 /nfs/dbraw/zinc/48/12/28/604481228.db2.gz BNKVTEIFRJFFML-AVRDEDQJSA-N 0 1 398.503 3.283 20 0 GGADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000833100064 604482103 /nfs/dbraw/zinc/48/21/03/604482103.db2.gz NBTSROXEASGMPC-OAQYLSRUSA-N 0 1 386.423 3.093 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000830250215 604483685 /nfs/dbraw/zinc/48/36/85/604483685.db2.gz XGOVMIJXBJYLEL-OAHLLOKOSA-N 0 1 396.915 3.359 20 0 GGADMN CCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])s1 ZINC000833677549 604520720 /nfs/dbraw/zinc/52/07/20/604520720.db2.gz TYFOGEMWMNRTSW-OAHLLOKOSA-N 0 1 376.478 3.297 20 0 GGADMN CCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])s1 ZINC000833677549 604520723 /nfs/dbraw/zinc/52/07/23/604520723.db2.gz TYFOGEMWMNRTSW-OAHLLOKOSA-N 0 1 376.478 3.297 20 0 GGADMN COc1ccsc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000833729909 604521127 /nfs/dbraw/zinc/52/11/27/604521127.db2.gz IVFMVXNOGWJTQD-AWEZNQCLSA-N 0 1 377.462 3.348 20 0 GGADMN COc1ccsc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000833729910 604521168 /nfs/dbraw/zinc/52/11/68/604521168.db2.gz IVFMVXNOGWJTQD-CQSZACIVSA-N 0 1 377.462 3.348 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830860185 604522410 /nfs/dbraw/zinc/52/24/10/604522410.db2.gz NTHBKSBQHSTMGZ-SFHVURJKSA-N 0 1 385.464 3.060 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830860185 604522413 /nfs/dbraw/zinc/52/24/13/604522413.db2.gz NTHBKSBQHSTMGZ-SFHVURJKSA-N 0 1 385.464 3.060 20 0 GGADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000830713166 604525158 /nfs/dbraw/zinc/52/51/58/604525158.db2.gz DWEYBUKJTUSSBK-PKOBYXMFSA-N 0 1 387.524 3.212 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2c(C)nn(CCC(=O)[O-])c2C)cc1OC ZINC000833732914 604526902 /nfs/dbraw/zinc/52/69/02/604526902.db2.gz VUUHWHODNXANQM-SFHVURJKSA-N 0 1 387.480 3.329 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833538440 604530543 /nfs/dbraw/zinc/53/05/43/604530543.db2.gz CJIBNNLDSWXHLG-KRWDZBQOSA-N 0 1 388.508 3.153 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833538441 604531032 /nfs/dbraw/zinc/53/10/32/604531032.db2.gz CJIBNNLDSWXHLG-QGZVFWFLSA-N 0 1 388.508 3.153 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544072 604537330 /nfs/dbraw/zinc/53/73/30/604537330.db2.gz WRBIHNNMYBXMIT-ZBFHGGJFSA-N 0 1 378.469 3.028 20 0 GGADMN CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000827117634 604549458 /nfs/dbraw/zinc/54/94/58/604549458.db2.gz FYSLCLPYFGZMJS-QFIPXVFZSA-N 0 1 381.476 3.054 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550674 604559720 /nfs/dbraw/zinc/55/97/20/604559720.db2.gz YFEGQXKQGWVGFN-OXQOHEQNSA-N 0 1 381.476 3.062 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833601532 604564399 /nfs/dbraw/zinc/56/43/99/604564399.db2.gz VWFBQKGAYLWSQD-UWJYYQICSA-N 0 1 395.503 3.280 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833601530 604565110 /nfs/dbraw/zinc/56/51/10/604565110.db2.gz VWFBQKGAYLWSQD-UTKZUKDTSA-N 0 1 395.503 3.280 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C[C@@H]1O ZINC000833620058 604568688 /nfs/dbraw/zinc/56/86/88/604568688.db2.gz BYZTWBGTRDDAMN-YGRLFVJLSA-N 0 1 394.880 3.018 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C[C@@H]1O ZINC000833620058 604568693 /nfs/dbraw/zinc/56/86/93/604568693.db2.gz BYZTWBGTRDDAMN-YGRLFVJLSA-N 0 1 394.880 3.018 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C[C@@H]1O ZINC000833620053 604568715 /nfs/dbraw/zinc/56/87/15/604568715.db2.gz BYZTWBGTRDDAMN-HZMBPMFUSA-N 0 1 394.880 3.018 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C[C@@H]1O ZINC000833620053 604568718 /nfs/dbraw/zinc/56/87/18/604568718.db2.gz BYZTWBGTRDDAMN-HZMBPMFUSA-N 0 1 394.880 3.018 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000833538628 604581807 /nfs/dbraw/zinc/58/18/07/604581807.db2.gz UFDUOEOPYRVHJN-HNNXBMFYSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538608 604586225 /nfs/dbraw/zinc/58/62/25/604586225.db2.gz DRWYPAPZNQLRRR-MRXNPFEDSA-N 0 1 377.444 3.283 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538608 604586228 /nfs/dbraw/zinc/58/62/28/604586228.db2.gz DRWYPAPZNQLRRR-MRXNPFEDSA-N 0 1 377.444 3.283 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000833729749 604590843 /nfs/dbraw/zinc/59/08/43/604590843.db2.gz YLWKISLQWSRKRY-UHFFFAOYSA-N 0 1 379.840 3.453 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614898 604599927 /nfs/dbraw/zinc/59/99/27/604599927.db2.gz XDVFSRIBKZWBGS-LSDHHAIUSA-N 0 1 379.526 3.495 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833693440 604601281 /nfs/dbraw/zinc/60/12/81/604601281.db2.gz XQMWGGUHBMPHRH-HXUWFJFHSA-N 0 1 395.503 3.091 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833488688 604601585 /nfs/dbraw/zinc/60/15/85/604601585.db2.gz UCNGBPBMEXYISZ-MRXNPFEDSA-N 0 1 379.526 3.495 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000833614780 604602089 /nfs/dbraw/zinc/60/20/89/604602089.db2.gz UXIYGHYFSUFPLX-GJZGRUSLSA-N 0 1 379.526 3.495 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833542811 604612211 /nfs/dbraw/zinc/61/22/11/604612211.db2.gz SSWNTYVPFDDIRY-WBVHZDCISA-N 0 1 392.496 3.418 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833757371 604618861 /nfs/dbraw/zinc/61/88/61/604618861.db2.gz YGOJKXMZYYPBNB-GOSISDBHSA-N 0 1 392.459 3.146 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833507181 604621034 /nfs/dbraw/zinc/62/10/34/604621034.db2.gz AAZDURJFTUCDJE-UHFFFAOYSA-N 0 1 385.464 3.312 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833507181 604621037 /nfs/dbraw/zinc/62/10/37/604621037.db2.gz AAZDURJFTUCDJE-UHFFFAOYSA-N 0 1 385.464 3.312 20 0 GGADMN Brc1ccc(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000823826732 607703875 /nfs/dbraw/zinc/70/38/75/607703875.db2.gz NXVYYAJDMPKVHS-UHFFFAOYSA-N 0 1 376.283 3.470 20 0 GGADMN C[C@H](CC(=O)[O-])SCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000827385705 604631266 /nfs/dbraw/zinc/63/12/66/604631266.db2.gz NRMQDZZLIABDHD-CJNGLKHVSA-N 0 1 384.929 3.190 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCN(c3nc4ccccc4o3)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833542968 604635501 /nfs/dbraw/zinc/63/55/01/604635501.db2.gz WWPGJNJPOWSKLP-HOTGVXAUSA-N 0 1 395.459 3.390 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCN(c3nc4ccccc4o3)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833542966 604636300 /nfs/dbraw/zinc/63/63/00/604636300.db2.gz WWPGJNJPOWSKLP-CVEARBPZSA-N 0 1 395.459 3.390 20 0 GGADMN C[C@@H](Oc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538627 604639362 /nfs/dbraw/zinc/63/93/62/604639362.db2.gz UEKGFTBKMDQMSW-WIYYLYMNSA-N 0 1 382.504 3.492 20 0 GGADMN C[C@@H](Oc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538627 604639365 /nfs/dbraw/zinc/63/93/65/604639365.db2.gz UEKGFTBKMDQMSW-WIYYLYMNSA-N 0 1 382.504 3.492 20 0 GGADMN CC(C)c1nn(C)c(N(C)C)c1C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833511701 604639409 /nfs/dbraw/zinc/63/94/09/604639409.db2.gz DSKBRTMJAUSQFN-UHFFFAOYSA-N 0 1 394.466 3.365 20 0 GGADMN CC(C)c1nn(C)c(N(C)C)c1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833511701 604639410 /nfs/dbraw/zinc/63/94/10/604639410.db2.gz DSKBRTMJAUSQFN-UHFFFAOYSA-N 0 1 394.466 3.365 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1)C(=O)[O-] ZINC000833540113 604647043 /nfs/dbraw/zinc/64/70/43/604647043.db2.gz JRMLRPPACSTEOZ-AWEZNQCLSA-N 0 1 376.403 3.139 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1)C(=O)[O-] ZINC000833542606 604647600 /nfs/dbraw/zinc/64/76/00/604647600.db2.gz VCDMNSWLWBARJG-AWEZNQCLSA-N 0 1 376.403 3.139 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000829026568 604648920 /nfs/dbraw/zinc/64/89/20/604648920.db2.gz JJWSTTIDESLQFJ-KRWDZBQOSA-N 0 1 385.851 3.386 20 0 GGADMN C[C@@H](C1CC1)[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515186 604662768 /nfs/dbraw/zinc/66/27/68/604662768.db2.gz AYTGMZVKVMVQOP-JTSKRJEESA-N 0 1 392.499 3.325 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833695989 604676059 /nfs/dbraw/zinc/67/60/59/604676059.db2.gz ZMXQVHDFVPGEOR-SFHVURJKSA-N 0 1 379.382 3.357 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833696573 604676149 /nfs/dbraw/zinc/67/61/49/604676149.db2.gz NVJXVRFQUAXRQS-GOSISDBHSA-N 0 1 392.377 3.254 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000833389821 604678468 /nfs/dbraw/zinc/67/84/68/604678468.db2.gz XOJJHKZRIOXHNC-QGZVFWFLSA-N 0 1 385.464 3.119 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000833389819 604678821 /nfs/dbraw/zinc/67/88/21/604678821.db2.gz XOJJHKZRIOXHNC-KRWDZBQOSA-N 0 1 385.464 3.119 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1)C(=O)[O-] ZINC000833536786 604683533 /nfs/dbraw/zinc/68/35/33/604683533.db2.gz FICOBGVJXQADFZ-FLDNJWGVSA-N 0 1 375.490 3.469 20 0 GGADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000829210038 604700574 /nfs/dbraw/zinc/70/05/74/604700574.db2.gz YDIPZKKESUKDEQ-BEVDRBHNSA-N 0 1 385.508 3.180 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3cccc(C(=O)[O-])c3)cc2)C1 ZINC000833614918 604702835 /nfs/dbraw/zinc/70/28/35/604702835.db2.gz XMSDQAMKQXTCEB-QGZVFWFLSA-N 0 1 380.488 3.476 20 0 GGADMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833635176 604735017 /nfs/dbraw/zinc/73/50/17/604735017.db2.gz OYTQPQIERGLJPE-HUUCEWRRSA-N 0 1 383.448 3.004 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC1)C(=O)[O-] ZINC000827449901 604742342 /nfs/dbraw/zinc/74/23/42/604742342.db2.gz QHYKDQZPKSTWMA-JTQLQIEISA-N 0 1 395.431 3.212 20 0 GGADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@H](CO)c1ccccc1 ZINC000830676386 604753886 /nfs/dbraw/zinc/75/38/86/604753886.db2.gz AVIYGNSXWDCFIV-OAHLLOKOSA-N 0 1 397.258 3.296 20 0 GGADMN C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@H](CO)c1ccccc1 ZINC000830676386 604753888 /nfs/dbraw/zinc/75/38/88/604753888.db2.gz AVIYGNSXWDCFIV-OAHLLOKOSA-N 0 1 397.258 3.296 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833596859 604754591 /nfs/dbraw/zinc/75/45/91/604754591.db2.gz NCIRQKKAFUWJJH-UWJYYQICSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)C[C@H](C)O1 ZINC000833628794 604755343 /nfs/dbraw/zinc/75/53/43/604755343.db2.gz BEJACWSJPJUDSA-HOTGVXAUSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)cc1)C(=O)[O-] ZINC000833539508 604759490 /nfs/dbraw/zinc/75/94/90/604759490.db2.gz ZUAYSSKNJCFZQN-GFCCVEGCSA-N 0 1 381.270 3.272 20 0 GGADMN C[C@H]1C(=O)N(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000828144261 604763129 /nfs/dbraw/zinc/76/31/29/604763129.db2.gz VVRAKOGFFIIDKU-KRWDZBQOSA-N 0 1 395.459 3.168 20 0 GGADMN C[C@H]1C(=O)N(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000828144261 604763134 /nfs/dbraw/zinc/76/31/34/604763134.db2.gz VVRAKOGFFIIDKU-KRWDZBQOSA-N 0 1 395.459 3.168 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CCOCC1 ZINC000583143780 604769298 /nfs/dbraw/zinc/76/92/98/604769298.db2.gz GNHAYXROKLBQHK-UHFFFAOYSA-N 0 1 379.460 3.457 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826004613 604769326 /nfs/dbraw/zinc/76/93/26/604769326.db2.gz DKYOVRCJNVPHNB-KKSFZXQISA-N 0 1 395.503 3.293 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@@H]32)c(C(=O)[O-])c1C ZINC000831475554 604770061 /nfs/dbraw/zinc/77/00/61/604770061.db2.gz LKBZGRYWYVYYTD-OLZOCXBDSA-N 0 1 394.493 3.134 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@@H]3CCC[C@H]32)c(C(=O)[O-])c1C ZINC000831475555 604770268 /nfs/dbraw/zinc/77/02/68/604770268.db2.gz LKBZGRYWYVYYTD-QWHCGFSZSA-N 0 1 394.493 3.134 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833615357 604770306 /nfs/dbraw/zinc/77/03/06/604770306.db2.gz BONWTJUAGMKSDS-GOSISDBHSA-N 0 1 380.488 3.440 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(C(=O)[O-])c1C ZINC000831475556 604770438 /nfs/dbraw/zinc/77/04/38/604770438.db2.gz LKBZGRYWYVYYTD-STQMWFEESA-N 0 1 394.493 3.134 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC000833544499 604772849 /nfs/dbraw/zinc/77/28/49/604772849.db2.gz YTKSLUUARCEPSA-YQQAZPJKSA-N 0 1 392.496 3.416 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537013 604774844 /nfs/dbraw/zinc/77/48/44/604774844.db2.gz FXDOZEMHJTXERF-ODYMNIRHSA-N 0 1 377.387 3.125 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537013 604774848 /nfs/dbraw/zinc/77/48/48/604774848.db2.gz FXDOZEMHJTXERF-ODYMNIRHSA-N 0 1 377.387 3.125 20 0 GGADMN O=C([O-])CCC[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000652494258 604785570 /nfs/dbraw/zinc/78/55/70/604785570.db2.gz AEUFPLUGDCOIGP-UHFFFAOYSA-N 0 1 395.415 3.332 20 0 GGADMN O=C([O-])CCC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000652494258 604785575 /nfs/dbraw/zinc/78/55/75/604785575.db2.gz AEUFPLUGDCOIGP-UHFFFAOYSA-N 0 1 395.415 3.332 20 0 GGADMN C[C@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000825983401 604789518 /nfs/dbraw/zinc/78/95/18/604789518.db2.gz XUBHKSXYXUSFQW-QGZVFWFLSA-N 0 1 395.503 3.308 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000829142673 604797898 /nfs/dbraw/zinc/79/78/98/604797898.db2.gz VTGREWLZEFPILR-DQYPLSBCSA-N 0 1 387.307 3.162 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000570572553 604800114 /nfs/dbraw/zinc/80/01/14/604800114.db2.gz AHUFQWXYCWFFDL-ZFWWWQNUSA-N 0 1 386.521 3.459 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000833337076 604800411 /nfs/dbraw/zinc/80/04/11/604800411.db2.gz YYOWHQBJGGDMID-WBVHZDCISA-N 0 1 385.489 3.128 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000833337076 604800414 /nfs/dbraw/zinc/80/04/14/604800414.db2.gz YYOWHQBJGGDMID-WBVHZDCISA-N 0 1 385.489 3.128 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000832947633 604801284 /nfs/dbraw/zinc/80/12/84/604801284.db2.gz ZSPVIHFKDXZFSH-UHFFFAOYSA-N 0 1 397.475 3.319 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547261 604809089 /nfs/dbraw/zinc/80/90/89/604809089.db2.gz AHGVESQXMQASKE-HRAATJIYSA-N 0 1 393.487 3.288 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833592246 604810128 /nfs/dbraw/zinc/81/01/28/604810128.db2.gz PDXQNZSQLCSZLV-CALCHBBNSA-N 0 1 387.524 3.211 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000833137649 604817712 /nfs/dbraw/zinc/81/77/12/604817712.db2.gz CZLLSNHTNBKDQX-CYBMUJFWSA-N 0 1 376.453 3.227 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]1c1cccs1 ZINC000830927853 604826439 /nfs/dbraw/zinc/82/64/39/604826439.db2.gz CIPDRLNHBUAOBD-GUYCJALGSA-N 0 1 376.453 3.398 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[N@H+]1Cc1ccccc1 ZINC000833600589 604841504 /nfs/dbraw/zinc/84/15/04/604841504.db2.gz MDAQVGADFHJMTR-IERDGZPVSA-N 0 1 393.487 3.116 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)cc1F ZINC000833299343 604847131 /nfs/dbraw/zinc/84/71/31/604847131.db2.gz CTPHGJKGUGBRAA-GTNSWQLSSA-N 0 1 379.407 3.144 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)cc1F ZINC000833299342 604847138 /nfs/dbraw/zinc/84/71/38/604847138.db2.gz CTPHGJKGUGBRAA-DIFFPNOSSA-N 0 1 379.407 3.144 20 0 GGADMN Cc1cccc(C2=CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000833752134 604851218 /nfs/dbraw/zinc/85/12/18/604851218.db2.gz AMPUZBQSYGDSHW-UHFFFAOYSA-N 0 1 379.460 3.490 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000833752134 604851222 /nfs/dbraw/zinc/85/12/22/604851222.db2.gz AMPUZBQSYGDSHW-UHFFFAOYSA-N 0 1 379.460 3.490 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417223 604857892 /nfs/dbraw/zinc/85/78/92/604857892.db2.gz NELLUQWYEADMKQ-IEBWSBKVSA-N 0 1 394.471 3.295 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417227 604857941 /nfs/dbraw/zinc/85/79/41/604857941.db2.gz NELLUQWYEADMKQ-PKOBYXMFSA-N 0 1 394.471 3.295 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000833411741 604858294 /nfs/dbraw/zinc/85/82/94/604858294.db2.gz DMVULQSECWBNEX-YSIASYRMSA-N 0 1 399.535 3.497 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000833487303 604859283 /nfs/dbraw/zinc/85/92/83/604859283.db2.gz CJKOWMREZDJJAV-HZPDHXFCSA-N 0 1 378.538 3.350 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000833487300 604859560 /nfs/dbraw/zinc/85/95/60/604859560.db2.gz CJKOWMREZDJJAV-HOTGVXAUSA-N 0 1 378.538 3.350 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000833420243 604864456 /nfs/dbraw/zinc/86/44/56/604864456.db2.gz PPGFEEJFBHFRGC-LLVKDONJSA-N 0 1 397.269 3.137 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000833438884 604866074 /nfs/dbraw/zinc/86/60/74/604866074.db2.gz GXUCLRBHCQEOTJ-KURKYZTESA-N 0 1 389.496 3.319 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000833419967 604866162 /nfs/dbraw/zinc/86/61/62/604866162.db2.gz LKDMAXRXBNMKKJ-OAHLLOKOSA-N 0 1 380.558 3.470 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000833419116 604866560 /nfs/dbraw/zinc/86/65/60/604866560.db2.gz FYLAKEGBLSEMOQ-AWEZNQCLSA-N 0 1 394.566 3.499 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000833419116 604866563 /nfs/dbraw/zinc/86/65/63/604866563.db2.gz FYLAKEGBLSEMOQ-AWEZNQCLSA-N 0 1 394.566 3.499 20 0 GGADMN CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833466245 604867833 /nfs/dbraw/zinc/86/78/33/604867833.db2.gz AWGBFKVJCKVJSD-OAHLLOKOSA-N 0 1 388.464 3.214 20 0 GGADMN CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833466245 604867837 /nfs/dbraw/zinc/86/78/37/604867837.db2.gz AWGBFKVJCKVJSD-OAHLLOKOSA-N 0 1 388.464 3.214 20 0 GGADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C)cc1 ZINC000832264649 604885817 /nfs/dbraw/zinc/88/58/17/604885817.db2.gz FBJHZJGTORMLJJ-DNVCBOLYSA-N 0 1 387.407 3.382 20 0 GGADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCCc3sccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128330 604887512 /nfs/dbraw/zinc/88/75/12/604887512.db2.gz DFBNQAFXLCMMGJ-GCJKJVERSA-N 0 1 398.528 3.404 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCCc3sccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128331 604887786 /nfs/dbraw/zinc/88/77/86/604887786.db2.gz DFBNQAFXLCMMGJ-PGRDOPGGSA-N 0 1 398.528 3.404 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000833487013 604907973 /nfs/dbraw/zinc/90/79/73/604907973.db2.gz ZRQGACANEYWYNG-UHFFFAOYSA-N 0 1 376.526 3.128 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833407888 604917743 /nfs/dbraw/zinc/91/77/43/604917743.db2.gz DPLOOPBSWHDVNG-KOLCDFICSA-N 0 1 377.293 3.213 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833407888 604917746 /nfs/dbraw/zinc/91/77/46/604917746.db2.gz DPLOOPBSWHDVNG-KOLCDFICSA-N 0 1 377.293 3.213 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833407890 604917944 /nfs/dbraw/zinc/91/79/44/604917944.db2.gz DPLOOPBSWHDVNG-MWLCHTKSSA-N 0 1 377.293 3.213 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833407890 604917947 /nfs/dbraw/zinc/91/79/47/604917947.db2.gz DPLOOPBSWHDVNG-MWLCHTKSSA-N 0 1 377.293 3.213 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833407892 604917989 /nfs/dbraw/zinc/91/79/89/604917989.db2.gz DPLOOPBSWHDVNG-ONGXEEELSA-N 0 1 377.293 3.213 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833407892 604917992 /nfs/dbraw/zinc/91/79/92/604917992.db2.gz DPLOOPBSWHDVNG-ONGXEEELSA-N 0 1 377.293 3.213 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829162239 604918193 /nfs/dbraw/zinc/91/81/93/604918193.db2.gz QJCISOXLHNDAMR-HUUCEWRRSA-N 0 1 395.887 3.284 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833589220 604919475 /nfs/dbraw/zinc/91/94/75/604919475.db2.gz AIILPYVWSDFYAR-OKILXGFUSA-N 0 1 387.484 3.141 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CC1 ZINC000833547886 604923135 /nfs/dbraw/zinc/92/31/35/604923135.db2.gz FVIWLFCUOLXEOK-IERDGZPVSA-N 0 1 378.472 3.250 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C[N@H+]1Cc1ccccc1 ZINC000833599317 604926545 /nfs/dbraw/zinc/92/65/45/604926545.db2.gz DBXVGWXPPQRZMK-XJKSGUPXSA-N 0 1 393.447 3.046 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697183 604932618 /nfs/dbraw/zinc/93/26/18/604932618.db2.gz DETNOICBIFUIBI-IRXDYDNUSA-N 0 1 376.815 3.353 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697183 604932621 /nfs/dbraw/zinc/93/26/21/604932621.db2.gz DETNOICBIFUIBI-IRXDYDNUSA-N 0 1 376.815 3.353 20 0 GGADMN Cc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740180 604933249 /nfs/dbraw/zinc/93/32/49/604933249.db2.gz OHURLGBDFRSGCS-PBHICJAKSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740180 604933253 /nfs/dbraw/zinc/93/32/53/604933253.db2.gz OHURLGBDFRSGCS-PBHICJAKSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740182 604933324 /nfs/dbraw/zinc/93/33/24/604933324.db2.gz OHURLGBDFRSGCS-WMLDXEAASA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740182 604933327 /nfs/dbraw/zinc/93/33/27/604933327.db2.gz OHURLGBDFRSGCS-WMLDXEAASA-N 0 1 375.856 3.158 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000833416563 604933585 /nfs/dbraw/zinc/93/35/85/604933585.db2.gz ANMBDASRPAPSEE-FQEVSTJZSA-N 0 1 386.536 3.291 20 0 GGADMN Cc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740183 604933696 /nfs/dbraw/zinc/93/36/96/604933696.db2.gz OHURLGBDFRSGCS-YOEHRIQHSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833740183 604933700 /nfs/dbraw/zinc/93/37/00/604933700.db2.gz OHURLGBDFRSGCS-YOEHRIQHSA-N 0 1 375.856 3.158 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000833419618 604935204 /nfs/dbraw/zinc/93/52/04/604935204.db2.gz HSMDAWAZGVKXEA-NSHDSACASA-N 0 1 383.370 3.477 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000325413224 604936159 /nfs/dbraw/zinc/93/61/59/604936159.db2.gz FKLAQBCGHRYUGY-JTQLQIEISA-N 0 1 398.257 3.415 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000833420270 604940378 /nfs/dbraw/zinc/94/03/78/604940378.db2.gz PSPXPCHQBKZQJS-OAHLLOKOSA-N 0 1 387.505 3.232 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000833684674 604941352 /nfs/dbraw/zinc/94/13/52/604941352.db2.gz NONWLWNXDCOGJE-ZDUSSCGKSA-N 0 1 375.494 3.082 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000833129644 604943255 /nfs/dbraw/zinc/94/32/55/604943255.db2.gz NZFSDMOICWSAEO-UHFFFAOYSA-N 0 1 392.377 3.197 20 0 GGADMN CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833506018 604943690 /nfs/dbraw/zinc/94/36/90/604943690.db2.gz ZZUFNRNTDZNUHA-LJQANCHMSA-N 0 1 390.524 3.051 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749426 604948506 /nfs/dbraw/zinc/94/85/06/604948506.db2.gz LKGAYSVVRIOZFX-WBVHZDCISA-N 0 1 376.472 3.452 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000652499523 604952493 /nfs/dbraw/zinc/95/24/93/604952493.db2.gz AHJMCQJCLSPGFE-SFHVURJKSA-N 0 1 385.512 3.333 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000833419961 604952541 /nfs/dbraw/zinc/95/25/41/604952541.db2.gz LFZFYALVDJABCA-LBPRGKRZSA-N 0 1 380.286 3.420 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000652499522 604952637 /nfs/dbraw/zinc/95/26/37/604952637.db2.gz AHJMCQJCLSPGFE-GOSISDBHSA-N 0 1 385.512 3.333 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000833421260 604953048 /nfs/dbraw/zinc/95/30/48/604953048.db2.gz KYZFOWBLJRHUAB-KRWDZBQOSA-N 0 1 390.528 3.225 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000833421717 604953710 /nfs/dbraw/zinc/95/37/10/604953710.db2.gz ZNKBSYWDGDVIGM-NSHDSACASA-N 0 1 379.457 3.197 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000831230461 604958244 /nfs/dbraw/zinc/95/82/44/604958244.db2.gz CKAKGRPMKXFWDU-NSHDSACASA-N 0 1 384.498 3.236 20 0 GGADMN C[C@H](OC[C@H](O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000568520575 604961451 /nfs/dbraw/zinc/96/14/51/604961451.db2.gz GYHYXRYEBHOVOO-QWRYSRLRSA-N 0 1 381.900 3.496 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CCCC1 ZINC000829697145 604962357 /nfs/dbraw/zinc/96/23/57/604962357.db2.gz AGCKFRHIJQOKNY-UHFFFAOYSA-N 0 1 382.482 3.134 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000833172425 604963557 /nfs/dbraw/zinc/96/35/57/604963557.db2.gz VGUINNCIZWYHRF-TZMCWYRMSA-N 0 1 377.699 3.277 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000833172425 604963558 /nfs/dbraw/zinc/96/35/58/604963558.db2.gz VGUINNCIZWYHRF-TZMCWYRMSA-N 0 1 377.699 3.277 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cs1)c1ccc(F)cc1 ZINC000833393108 604967057 /nfs/dbraw/zinc/96/70/57/604967057.db2.gz OLHIXXSHVVYDIC-INIZCTEOSA-N 0 1 377.441 3.406 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cs1)c1ccc(F)cc1 ZINC000833393108 604967058 /nfs/dbraw/zinc/96/70/58/604967058.db2.gz OLHIXXSHVVYDIC-INIZCTEOSA-N 0 1 377.441 3.406 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000831230436 604967863 /nfs/dbraw/zinc/96/78/63/604967863.db2.gz BIWLDFSVTAGPSJ-NSHDSACASA-N 0 1 394.449 3.156 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccco2)c(C(=O)[O-])c1C ZINC000831475615 604967868 /nfs/dbraw/zinc/96/78/68/604967868.db2.gz NNKQJNLSERUCCO-NSHDSACASA-N 0 1 394.449 3.156 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000831230435 604967893 /nfs/dbraw/zinc/96/78/93/604967893.db2.gz BIWLDFSVTAGPSJ-LLVKDONJSA-N 0 1 394.449 3.156 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000833684568 604968489 /nfs/dbraw/zinc/96/84/89/604968489.db2.gz JELZUUDQNSKZTC-UGKGYDQZSA-N 0 1 384.451 3.313 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000827949668 604968910 /nfs/dbraw/zinc/96/89/10/604968910.db2.gz MHNOMGDEHZZKEV-UKRRQHHQSA-N 0 1 388.493 3.117 20 0 GGADMN COCc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC000566625675 604972014 /nfs/dbraw/zinc/97/20/14/604972014.db2.gz XRCHIQCQTHJNLG-IBGZPJMESA-N 0 1 385.460 3.424 20 0 GGADMN COc1ccccc1Nc1nn(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c(=S)s1 ZINC000832628509 604977878 /nfs/dbraw/zinc/97/78/78/604977878.db2.gz QCTYLELZGUQCDY-LLVKDONJSA-N 0 1 380.495 3.323 20 0 GGADMN COc1ccccc1Nc1nn(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(=S)s1 ZINC000832628509 604977879 /nfs/dbraw/zinc/97/78/79/604977879.db2.gz QCTYLELZGUQCDY-LLVKDONJSA-N 0 1 380.495 3.323 20 0 GGADMN COc1ccc(Nc2nn(C[N@@H+]3CCC[C@@H]3CC(=O)[O-])c(=S)s2)cc1 ZINC000832419221 604982161 /nfs/dbraw/zinc/98/21/61/604982161.db2.gz DGCDNXZMNINJBX-GFCCVEGCSA-N 0 1 380.495 3.323 20 0 GGADMN COc1ccc(Nc2nn(C[N@H+]3CCC[C@@H]3CC(=O)[O-])c(=S)s2)cc1 ZINC000832419221 604982166 /nfs/dbraw/zinc/98/21/66/604982166.db2.gz DGCDNXZMNINJBX-GFCCVEGCSA-N 0 1 380.495 3.323 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000828259305 604983400 /nfs/dbraw/zinc/98/34/00/604983400.db2.gz XRCZBDOENQFEBV-CABCVRRESA-N 0 1 394.541 3.279 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000828160645 604983416 /nfs/dbraw/zinc/98/34/16/604983416.db2.gz ILYCHWWSKNVIRI-BETUJISGSA-N 0 1 382.530 3.038 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000833417278 604985403 /nfs/dbraw/zinc/98/54/03/604985403.db2.gz OEPBWYLXMSXWII-MOPGFXCFSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833478098 605024557 /nfs/dbraw/zinc/02/45/57/605024557.db2.gz BNRORNGJNCVIHH-XOKHGSTOSA-N 0 1 399.894 3.270 20 0 GGADMN CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833507930 605049192 /nfs/dbraw/zinc/04/91/92/605049192.db2.gz CFNKQBMHUBMMRJ-CVEARBPZSA-N 0 1 393.553 3.439 20 0 GGADMN CC(C)(C)c1nc(CN2CC[NH+](Cc3ccccc3CC(=O)[O-])CC2)cs1 ZINC000833450841 605064587 /nfs/dbraw/zinc/06/45/87/605064587.db2.gz LWZIQDHHBRNEJA-UHFFFAOYSA-N 0 1 387.549 3.386 20 0 GGADMN CC[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccc1OCC(=O)N1CCCC1 ZINC000833644014 605079580 /nfs/dbraw/zinc/07/95/80/605079580.db2.gz KHTRUMKUPYZJQH-SFHVURJKSA-N 0 1 386.448 3.220 20 0 GGADMN C/C(=C/C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000833383081 605101603 /nfs/dbraw/zinc/10/16/03/605101603.db2.gz QXCSQYRPAADIQJ-ZVHGMHCTSA-N 0 1 384.398 3.116 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000833625042 605102413 /nfs/dbraw/zinc/10/24/13/605102413.db2.gz VWSUZANZCKGQOB-BNOWGMLFSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000833513758 605104248 /nfs/dbraw/zinc/10/42/48/605104248.db2.gz KPCOETFEDHEUOU-ZIAGYGMSSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000833627608 605107183 /nfs/dbraw/zinc/10/71/83/605107183.db2.gz ZNGUPIVKJBQVDW-CYBMUJFWSA-N 0 1 376.840 3.221 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000833627608 605107185 /nfs/dbraw/zinc/10/71/85/605107185.db2.gz ZNGUPIVKJBQVDW-CYBMUJFWSA-N 0 1 376.840 3.221 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000833622323 605107841 /nfs/dbraw/zinc/10/78/41/605107841.db2.gz OYBBEBYDEYPVBM-BYCMXARLSA-N 0 1 385.291 3.104 20 0 GGADMN CCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000833651715 605108314 /nfs/dbraw/zinc/10/83/14/605108314.db2.gz WTZVNLQHKWDRSW-HXUWFJFHSA-N 0 1 381.476 3.297 20 0 GGADMN CC(C)(CC(=O)[O-])CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833454755 605110855 /nfs/dbraw/zinc/11/08/55/605110855.db2.gz NQSJXAZXJBRMTH-QGZVFWFLSA-N 0 1 384.480 3.160 20 0 GGADMN C/C(=C\C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000833381086 605113107 /nfs/dbraw/zinc/11/31/07/605113107.db2.gz ARFDGDBMLFEEBG-CMPYXILNSA-N 0 1 384.398 3.116 20 0 GGADMN C[C@H](Oc1ccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cc1)C(=O)[O-] ZINC000833543503 605120081 /nfs/dbraw/zinc/12/00/81/605120081.db2.gz YWKAOUYCFDAFTL-HNNXBMFYSA-N 0 1 380.448 3.144 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833488245 605125234 /nfs/dbraw/zinc/12/52/34/605125234.db2.gz LBBARGBHALKXAD-MSOLQXFVSA-N 0 1 375.513 3.258 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C[C@H](C)O1 ZINC000833627880 605130298 /nfs/dbraw/zinc/13/02/98/605130298.db2.gz WSYCGXWHMWOSBB-GUTXKFCHSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C[C@H](C)O1 ZINC000833627880 605130299 /nfs/dbraw/zinc/13/02/99/605130299.db2.gz WSYCGXWHMWOSBB-GUTXKFCHSA-N 0 1 395.887 3.144 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C[C@@H]1C ZINC000833658720 605130766 /nfs/dbraw/zinc/13/07/66/605130766.db2.gz ULTXVARITILYFI-QWRGUYRKSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C[C@@H](C)O1 ZINC000833627777 605131823 /nfs/dbraw/zinc/13/18/23/605131823.db2.gz UMCINYLECITXRH-NFAWXSAZSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC[N@H+]1C ZINC000833595778 605132636 /nfs/dbraw/zinc/13/26/36/605132636.db2.gz HTBIVGCELIAXCS-PWSUYJOCSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)NCc2ccc(C(=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000833593341 605147205 /nfs/dbraw/zinc/14/72/05/605147205.db2.gz WMERMNSJTMKQIW-RDJZCZTQSA-N 0 1 385.464 3.078 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1Cc1ccccc1 ZINC000833592360 605147383 /nfs/dbraw/zinc/14/73/83/605147383.db2.gz QIZZLHZIQGVPND-PKOBYXMFSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(C(=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000833593342 605147677 /nfs/dbraw/zinc/14/76/77/605147677.db2.gz WMERMNSJTMKQIW-WBVHZDCISA-N 0 1 385.464 3.078 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3snc(Cl)c3-c3nnn[n-]3)CC2)CC1 ZINC000824956429 607737119 /nfs/dbraw/zinc/73/71/19/607737119.db2.gz REEUMMVRJHJICU-UHFFFAOYSA-N 0 1 381.937 3.432 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3snc(Cl)c3-c3nn[n-]n3)CC2)CC1 ZINC000824956429 607737120 /nfs/dbraw/zinc/73/71/20/607737120.db2.gz REEUMMVRJHJICU-UHFFFAOYSA-N 0 1 381.937 3.432 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000833589660 605154638 /nfs/dbraw/zinc/15/46/38/605154638.db2.gz CRBWBZZFSYLKGX-RDJZCZTQSA-N 0 1 384.480 3.146 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833624242 605156484 /nfs/dbraw/zinc/15/64/84/605156484.db2.gz SMQUBMMHUSQSDS-DLBZAZTESA-N 0 1 381.476 3.440 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000833624251 605156770 /nfs/dbraw/zinc/15/67/70/605156770.db2.gz SMQUBMMHUSQSDS-SJORKVTESA-N 0 1 381.476 3.440 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000833627226 605159380 /nfs/dbraw/zinc/15/93/80/605159380.db2.gz VBOAJCOKMVFAAB-AWEZNQCLSA-N 0 1 388.414 3.253 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592641 605165630 /nfs/dbraw/zinc/16/56/30/605165630.db2.gz SKGXDAGAQSWOOR-HOJAQTOUSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833616409 605169313 /nfs/dbraw/zinc/16/93/13/605169313.db2.gz ZMFHXDSWXVPKNX-HNNXBMFYSA-N 0 1 383.448 3.285 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC000833510058 605172670 /nfs/dbraw/zinc/17/26/70/605172670.db2.gz JCZBBXPVRBHWBF-UHFFFAOYSA-N 0 1 382.464 3.253 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Nc2cncc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833591038 605181450 /nfs/dbraw/zinc/18/14/50/605181450.db2.gz KNTKJNJIBWTVEZ-DOTOQJQBSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCCCCCC(=O)[O-] ZINC000833622051 605184168 /nfs/dbraw/zinc/18/41/68/605184168.db2.gz LBJYMUDQZRRWKS-QZTJIDSGSA-N 0 1 375.513 3.326 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCCCCC(=O)[O-] ZINC000833622052 605184180 /nfs/dbraw/zinc/18/41/80/605184180.db2.gz LBJYMUDQZRRWKS-ROUUACIJSA-N 0 1 375.513 3.326 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000833415791 605185541 /nfs/dbraw/zinc/18/55/41/605185541.db2.gz VDNRYPXCVUUDAC-GOSISDBHSA-N 0 1 395.415 3.407 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)CN(C)C(=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000833499700 605185708 /nfs/dbraw/zinc/18/57/08/605185708.db2.gz XTLMPKFWVFLWBD-SFHVURJKSA-N 0 1 377.485 3.014 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@]3(C)CCCO)c2C(=O)[O-])C1 ZINC000833616720 605193210 /nfs/dbraw/zinc/19/32/10/605193210.db2.gz FIYMTGIZHCUMLH-RBZFPXEDSA-N 0 1 394.537 3.137 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@]3(C)CCCO)c2C(=O)[O-])C1 ZINC000833616723 605193681 /nfs/dbraw/zinc/19/36/81/605193681.db2.gz FIYMTGIZHCUMLH-ZUOKHONESA-N 0 1 394.537 3.137 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000833629236 605194009 /nfs/dbraw/zinc/19/40/09/605194009.db2.gz SSELJWBBPKUVFF-GOSISDBHSA-N 0 1 395.503 3.163 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000833629236 605194010 /nfs/dbraw/zinc/19/40/10/605194010.db2.gz SSELJWBBPKUVFF-GOSISDBHSA-N 0 1 395.503 3.163 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000833629236 605194011 /nfs/dbraw/zinc/19/40/11/605194011.db2.gz SSELJWBBPKUVFF-GOSISDBHSA-N 0 1 395.503 3.163 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000833628712 605197532 /nfs/dbraw/zinc/19/75/32/605197532.db2.gz ODSLAGLYPBOKRU-GOSISDBHSA-N 0 1 384.476 3.339 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c(C)n1[C@H](C)c1ccccc1 ZINC000833742451 605206100 /nfs/dbraw/zinc/20/61/00/605206100.db2.gz NHTWFMQMGWBHCI-ZWKOTPCHSA-N 0 1 397.519 3.335 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000833442053 605206890 /nfs/dbraw/zinc/20/68/90/605206890.db2.gz MHWYPQUOOVXQIW-OAHLLOKOSA-N 0 1 378.469 3.000 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000263198478 605213523 /nfs/dbraw/zinc/21/35/23/605213523.db2.gz HCPGPGPEXXRIQT-DOTOQJQBSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000263198478 605213524 /nfs/dbraw/zinc/21/35/24/605213524.db2.gz HCPGPGPEXXRIQT-DOTOQJQBSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833436115 605221171 /nfs/dbraw/zinc/22/11/71/605221171.db2.gz DISIAVNSQMLYDG-IKGGRYGDSA-N 0 1 378.444 3.425 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833437692 605222278 /nfs/dbraw/zinc/22/22/78/605222278.db2.gz VMVXHJSMAVZONV-CABCVRRESA-N 0 1 378.444 3.498 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000833773217 605225880 /nfs/dbraw/zinc/22/58/80/605225880.db2.gz JLIWGBONDPQDPS-UHFFFAOYSA-N 0 1 383.330 3.301 20 0 GGADMN CN1CC[C@@H](NC2CC[NH+](CCCC(=O)[O-])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697079 605228177 /nfs/dbraw/zinc/22/81/77/605228177.db2.gz CVWWWTROFMVNHK-QUCCMNQESA-N 0 1 397.922 3.143 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833417844 605244612 /nfs/dbraw/zinc/24/46/12/605244612.db2.gz YVLCYNKBYLYTHN-MLGOLLRUSA-N 0 1 382.863 3.407 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263255561 605245764 /nfs/dbraw/zinc/24/57/64/605245764.db2.gz PPCQHGODPKSEFW-COXVUDFISA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263255561 605245766 /nfs/dbraw/zinc/24/57/66/605245766.db2.gz PPCQHGODPKSEFW-COXVUDFISA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263255565 605245876 /nfs/dbraw/zinc/24/58/76/605245876.db2.gz PPCQHGODPKSEFW-XOKHGSTOSA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263255565 605245879 /nfs/dbraw/zinc/24/58/79/605245879.db2.gz PPCQHGODPKSEFW-XOKHGSTOSA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263255562 605246085 /nfs/dbraw/zinc/24/60/85/605246085.db2.gz PPCQHGODPKSEFW-JQFCIGGWSA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263255562 605246088 /nfs/dbraw/zinc/24/60/88/605246088.db2.gz PPCQHGODPKSEFW-JQFCIGGWSA-N 0 1 397.878 3.119 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000833782970 605249384 /nfs/dbraw/zinc/24/93/84/605249384.db2.gz SBLRKBCCLWLLGE-GOSISDBHSA-N 0 1 393.365 3.173 20 0 GGADMN C[C@@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000833514542 605250249 /nfs/dbraw/zinc/25/02/49/605250249.db2.gz UCJKLPZWICEHBA-KBPBESRZSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000833514651 605250332 /nfs/dbraw/zinc/25/03/32/605250332.db2.gz XQDZGWLCYGDWRT-UONOGXRCSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Cc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833597544 605251040 /nfs/dbraw/zinc/25/10/40/605251040.db2.gz PRSZVYGBXFRALZ-FXAWDEMLSA-N 0 1 380.488 3.439 20 0 GGADMN 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ZINC000833733573 605259551 /nfs/dbraw/zinc/25/95/51/605259551.db2.gz VADUWCFBYBOVCM-MRXNPFEDSA-N 0 1 397.475 3.060 20 0 GGADMN COc1ccc(Nc2ccccc2C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833733572 605259568 /nfs/dbraw/zinc/25/95/68/605259568.db2.gz VADUWCFBYBOVCM-INIZCTEOSA-N 0 1 397.475 3.060 20 0 GGADMN CC(C)(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833421302 605264065 /nfs/dbraw/zinc/26/40/65/605264065.db2.gz YFMBTUCPIUZRFI-SWLSCSKDSA-N 0 1 386.414 3.458 20 0 GGADMN CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833489340 605267182 /nfs/dbraw/zinc/26/71/82/605267182.db2.gz YZJDBDLQFLMCHF-QGZVFWFLSA-N 0 1 375.513 3.453 20 0 GGADMN C[N@@H+](CC(C)(C)CN1CCOCC1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833692321 605268314 /nfs/dbraw/zinc/26/83/14/605268314.db2.gz NIZNUCINWHTDGM-MRXNPFEDSA-N 0 1 388.430 3.121 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)c1cncc(F)c1 ZINC000833617467 605270102 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CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)o1 ZINC000833511527 605835453 /nfs/dbraw/zinc/83/54/53/605835453.db2.gz WWTFHHFIFYMKDG-MRXNPFEDSA-N 0 1 375.444 3.342 20 0 GGADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000833694367 605844142 /nfs/dbraw/zinc/84/41/42/605844142.db2.gz HSZNWHYQDDMPCK-INIZCTEOSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@@H](CO)c1cccc(Br)c1 ZINC000833694367 605844146 /nfs/dbraw/zinc/84/41/46/605844146.db2.gz HSZNWHYQDDMPCK-INIZCTEOSA-N 0 1 382.229 3.452 20 0 GGADMN CCCc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000833652461 605864091 /nfs/dbraw/zinc/86/40/91/605864091.db2.gz CBPBZOFZXNHNDM-DZGCQCFKSA-N 0 1 375.513 3.357 20 0 GGADMN COc1ccc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(Cl)c1 ZINC000821794423 606101159 /nfs/dbraw/zinc/10/11/59/606101159.db2.gz GOZUZLUKBMKJQV-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN Cc1sc(NC(=O)CN2C[C@@H](c3ccccc3)C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822556199 606111890 /nfs/dbraw/zinc/11/18/90/606111890.db2.gz ANJNUIZWRNYWOF-WBMJQRKESA-N 0 1 396.520 3.362 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000821449911 606115616 /nfs/dbraw/zinc/11/56/16/606115616.db2.gz YEOGYMGTGUGONS-CHWSQXEVSA-N 0 1 394.570 3.090 20 0 GGADMN C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820669198 606199889 /nfs/dbraw/zinc/19/98/89/606199889.db2.gz ZROOKLGTCRRASA-YPMHNXCESA-N 0 1 389.916 3.442 20 0 GGADMN C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820669198 606199890 /nfs/dbraw/zinc/19/98/90/606199890.db2.gz ZROOKLGTCRRASA-YPMHNXCESA-N 0 1 389.916 3.442 20 0 GGADMN C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820669198 606199891 /nfs/dbraw/zinc/19/98/91/606199891.db2.gz ZROOKLGTCRRASA-YPMHNXCESA-N 0 1 389.916 3.442 20 0 GGADMN C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820669198 606199892 /nfs/dbraw/zinc/19/98/92/606199892.db2.gz ZROOKLGTCRRASA-YPMHNXCESA-N 0 1 389.916 3.442 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(Cl)cc1 ZINC000820421048 606296249 /nfs/dbraw/zinc/29/62/49/606296249.db2.gz ZZSUUMCKMVSBON-IINYFYTJSA-N 0 1 388.884 3.038 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000821651856 606332492 /nfs/dbraw/zinc/33/24/92/606332492.db2.gz HMQDCALRKACZIF-MDYRTPRTSA-N 0 1 391.475 3.034 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820432854 606408951 /nfs/dbraw/zinc/40/89/51/606408951.db2.gz SPORXJUQMMDUJP-NSHDSACASA-N 0 1 383.481 3.063 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820432854 606408953 /nfs/dbraw/zinc/40/89/53/606408953.db2.gz SPORXJUQMMDUJP-NSHDSACASA-N 0 1 383.481 3.063 20 0 GGADMN CC1CCN([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c2ccccc2)CC1 ZINC000820722817 606410878 /nfs/dbraw/zinc/41/08/78/606410878.db2.gz PJHUNUWBOIBKGG-GOSISDBHSA-N 0 1 382.537 3.491 20 0 GGADMN CC1CCN([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c2ccccc2)CC1 ZINC000820722817 606410880 /nfs/dbraw/zinc/41/08/80/606410880.db2.gz PJHUNUWBOIBKGG-GOSISDBHSA-N 0 1 382.537 3.491 20 0 GGADMN COC[C@@H](NCc1ccc(-c2nn[nH]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000821684344 606422339 /nfs/dbraw/zinc/42/23/39/606422339.db2.gz YWQHNTVZHQUHCC-CYBMUJFWSA-N 0 1 383.399 3.424 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(c2cccc(F)c2)CC1 ZINC000819877506 606454500 /nfs/dbraw/zinc/45/45/00/606454500.db2.gz XIUFDVRLMISTLH-AWEZNQCLSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820728637 606469834 /nfs/dbraw/zinc/46/98/34/606469834.db2.gz XNASKALKHJYYHV-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820728637 606469835 /nfs/dbraw/zinc/46/98/35/606469835.db2.gz XNASKALKHJYYHV-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820728637 606469836 /nfs/dbraw/zinc/46/98/36/606469836.db2.gz XNASKALKHJYYHV-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820728637 606469837 /nfs/dbraw/zinc/46/98/37/606469837.db2.gz XNASKALKHJYYHV-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820758734 606469892 /nfs/dbraw/zinc/46/98/92/606469892.db2.gz CIPDXDKOQCCLHU-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820758734 606469893 /nfs/dbraw/zinc/46/98/93/606469893.db2.gz CIPDXDKOQCCLHU-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758734 606469894 /nfs/dbraw/zinc/46/98/94/606469894.db2.gz CIPDXDKOQCCLHU-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758734 606469895 /nfs/dbraw/zinc/46/98/95/606469895.db2.gz CIPDXDKOQCCLHU-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000819877180 606520364 /nfs/dbraw/zinc/52/03/64/606520364.db2.gz QPRBSLHALKLTCI-AWEZNQCLSA-N 0 1 394.454 3.212 20 0 GGADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000822732045 606527545 /nfs/dbraw/zinc/52/75/45/606527545.db2.gz HNBIZUKXZVNGDX-UKRRQHHQSA-N 0 1 381.452 3.328 20 0 GGADMN O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823250229 606540669 /nfs/dbraw/zinc/54/06/69/606540669.db2.gz UJFWIDNOLXBYPA-UHFFFAOYSA-N 0 1 396.520 3.234 20 0 GGADMN O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250229 606540671 /nfs/dbraw/zinc/54/06/71/606540671.db2.gz UJFWIDNOLXBYPA-UHFFFAOYSA-N 0 1 396.520 3.234 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(-c5nn[nH]n5)cs4)C3)[nH]c2c1 ZINC000822271064 606584293 /nfs/dbraw/zinc/58/42/93/606584293.db2.gz KYSMKCLJCUTEPG-LBPRGKRZSA-N 0 1 393.476 3.133 20 0 GGADMN C[C@]1(c2ccccc2)CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820633761 606718096 /nfs/dbraw/zinc/71/80/96/606718096.db2.gz DLORYDAPRNWZQT-NRFANRHFSA-N 0 1 387.447 3.080 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)N2CC[C@@](C)(c3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822541301 606719533 /nfs/dbraw/zinc/71/95/33/606719533.db2.gz NBNQTPSXSVFMCB-SPLOXXLWSA-N 0 1 394.479 3.067 20 0 GGADMN O[C@@H](CN(Cc1ccco1)Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672313 606845038 /nfs/dbraw/zinc/84/50/38/606845038.db2.gz CMPIMPLCUOPKAU-FQEVSTJZSA-N 0 1 375.432 3.196 20 0 GGADMN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000821042767 606869406 /nfs/dbraw/zinc/86/94/06/606869406.db2.gz HSEFTHPBORYRAY-GFCCVEGCSA-N 0 1 380.518 3.101 20 0 GGADMN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000821042767 606869409 /nfs/dbraw/zinc/86/94/09/606869409.db2.gz HSEFTHPBORYRAY-GFCCVEGCSA-N 0 1 380.518 3.101 20 0 GGADMN c1ccc([C@@H](NCCCOc2cccc(-c3nn[nH]n3)c2)c2ccccn2)cc1 ZINC000823771690 606920651 /nfs/dbraw/zinc/92/06/51/606920651.db2.gz CGZTZOTVFMEWMO-OAQYLSRUSA-N 0 1 386.459 3.410 20 0 GGADMN COc1ccc([C@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)c(OC)c1 ZINC000821786910 606961811 /nfs/dbraw/zinc/96/18/11/606961811.db2.gz LFCKJDGJVAAPPA-GOSISDBHSA-N 0 1 383.427 3.360 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000822757668 607057469 /nfs/dbraw/zinc/05/74/69/607057469.db2.gz BYUQLAZXMQSBGC-KRWDZBQOSA-N 0 1 381.411 3.114 20 0 GGADMN CSc1ccc2cc(Cn3cccc(-c4nn[nH]n4)c3=O)c(Cl)nc2c1 ZINC000821984426 607158252 /nfs/dbraw/zinc/15/82/52/607158252.db2.gz QHAIGRNAKZZBIY-UHFFFAOYSA-N 0 1 384.852 3.000 20 0 GGADMN CCC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323161 607921540 /nfs/dbraw/zinc/92/15/40/607921540.db2.gz PYKIFIWDRAVMQI-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323161 607921541 /nfs/dbraw/zinc/92/15/41/607921541.db2.gz PYKIFIWDRAVMQI-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN c1sc(-c2ccc3c(c2)OCO3)nc1-c1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC000826517385 607974823 /nfs/dbraw/zinc/97/48/23/607974823.db2.gz AMVASLLFZAHAJC-UHFFFAOYSA-N 0 1 389.400 3.262 20 0 GGADMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826455206 607999873 /nfs/dbraw/zinc/99/98/73/607999873.db2.gz DVKXQNJOEKPETH-UHFFFAOYSA-N 0 1 388.366 3.130 20 0 GGADMN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761800 608036173 /nfs/dbraw/zinc/03/61/73/608036173.db2.gz CPBLYWQCRMBFFV-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761800 608036174 /nfs/dbraw/zinc/03/61/74/608036174.db2.gz CPBLYWQCRMBFFV-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761800 608036175 /nfs/dbraw/zinc/03/61/75/608036175.db2.gz CPBLYWQCRMBFFV-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761800 608036176 /nfs/dbraw/zinc/03/61/76/608036176.db2.gz CPBLYWQCRMBFFV-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN Clc1nsc(N2CCC[N@H+](CC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826353961 608177140 /nfs/dbraw/zinc/17/71/40/608177140.db2.gz KXTNTVTUGSALSA-UHFFFAOYSA-N 0 1 381.937 3.069 20 0 GGADMN Clc1nsc(N2CCC[N@@H+](CC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826353961 608177142 /nfs/dbraw/zinc/17/71/42/608177142.db2.gz KXTNTVTUGSALSA-UHFFFAOYSA-N 0 1 381.937 3.069 20 0 GGADMN Clc1nsc(N2CCC[N@H+](CC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826353961 608177144 /nfs/dbraw/zinc/17/71/44/608177144.db2.gz KXTNTVTUGSALSA-UHFFFAOYSA-N 0 1 381.937 3.069 20 0 GGADMN Clc1nsc(N2CCC[N@@H+](CC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826353961 608177146 /nfs/dbraw/zinc/17/71/46/608177146.db2.gz KXTNTVTUGSALSA-UHFFFAOYSA-N 0 1 381.937 3.069 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824770868 608178696 /nfs/dbraw/zinc/17/86/96/608178696.db2.gz NKAGELBWDGXXAD-JQWIXIFHSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824770868 608178697 /nfs/dbraw/zinc/17/86/97/608178697.db2.gz NKAGELBWDGXXAD-JQWIXIFHSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824770868 608178698 /nfs/dbraw/zinc/17/86/98/608178698.db2.gz NKAGELBWDGXXAD-JQWIXIFHSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824770868 608178699 /nfs/dbraw/zinc/17/86/99/608178699.db2.gz NKAGELBWDGXXAD-JQWIXIFHSA-N 0 1 375.889 3.224 20 0 GGADMN CCN(Cc1ccc(C[NH+](C)C)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825435099 608181603 /nfs/dbraw/zinc/18/16/03/608181603.db2.gz MDRQRPZYLAYTGS-UHFFFAOYSA-N 0 1 377.905 3.065 20 0 GGADMN CCN(Cc1ccc(C[NH+](C)C)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825435099 608181605 /nfs/dbraw/zinc/18/16/05/608181605.db2.gz MDRQRPZYLAYTGS-UHFFFAOYSA-N 0 1 377.905 3.065 20 0 GGADMN CCN1CC[C@H](Nc2ncccc2-c2nn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454191 608299473 /nfs/dbraw/zinc/29/94/73/608299473.db2.gz ZPGBCYRUSJXPOX-JKSUJKDBSA-N 0 1 387.850 3.302 20 0 GGADMN CCS[C@H]1CC[C@H]([N@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668244 608314191 /nfs/dbraw/zinc/31/41/91/608314191.db2.gz CPKHVQXDSRTGRK-IRXDYDNUSA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668244 608314194 /nfs/dbraw/zinc/31/41/94/608314194.db2.gz CPKHVQXDSRTGRK-IRXDYDNUSA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@H]1CC[C@H]([N@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668244 608314196 /nfs/dbraw/zinc/31/41/96/608314196.db2.gz CPKHVQXDSRTGRK-IRXDYDNUSA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668244 608314198 /nfs/dbraw/zinc/31/41/98/608314198.db2.gz CPKHVQXDSRTGRK-IRXDYDNUSA-N 0 1 397.552 3.467 20 0 GGADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccc2c(c1)OCO2 ZINC000824611985 608430138 /nfs/dbraw/zinc/43/01/38/608430138.db2.gz HDCIFFKCRLBUQX-SNVBAGLBSA-N 0 1 389.362 3.048 20 0 GGADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826372045 608437776 /nfs/dbraw/zinc/43/77/76/608437776.db2.gz DXQKWCIBNNAPOD-INIZCTEOSA-N 0 1 376.399 3.132 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000826170038 608444563 /nfs/dbraw/zinc/44/45/63/608444563.db2.gz NCTBTRAAMIPQFY-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN CC(C)Oc1cc(CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)ccn1 ZINC000824319048 608452793 /nfs/dbraw/zinc/45/27/93/608452793.db2.gz DBFKYXHHAXPODU-UHFFFAOYSA-N 0 1 382.443 3.353 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825653826 608458341 /nfs/dbraw/zinc/45/83/41/608458341.db2.gz KNLZXQNGOBISRA-RHSMWYFYSA-N 0 1 394.479 3.333 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825654251 608458483 /nfs/dbraw/zinc/45/84/83/608458483.db2.gz UFYAMDJDGKJXJX-KBXCAEBGSA-N 0 1 394.479 3.333 20 0 GGADMN CC[C@@H](NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000825132677 608461567 /nfs/dbraw/zinc/46/15/67/608461567.db2.gz CQYVNQABDNMRIS-FZKQIMNGSA-N 0 1 398.898 3.438 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563175 608465164 /nfs/dbraw/zinc/46/51/64/608465164.db2.gz MXLIVULPHZUCKD-LLVKDONJSA-N 0 1 390.369 3.175 20 0 GGADMN COC[C@H](N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)c(F)c1 ZINC000826151249 608526270 /nfs/dbraw/zinc/52/62/70/608526270.db2.gz XKBYHVCEEBDMOP-OALUTQOASA-N 0 1 385.418 3.500 20 0 GGADMN COC[C@@H](N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)c(F)c1 ZINC000826151250 608526365 /nfs/dbraw/zinc/52/63/65/608526365.db2.gz XKBYHVCEEBDMOP-RBUKOAKNSA-N 0 1 385.418 3.500 20 0 GGADMN CC(C)CNC(=O)c1cccc(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000824266032 608528684 /nfs/dbraw/zinc/52/86/84/608528684.db2.gz CFAWOSDVOKCCSJ-UHFFFAOYSA-N 0 1 390.491 3.031 20 0 GGADMN CC(C)(C)c1ccccc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824135278 608533273 /nfs/dbraw/zinc/53/32/73/608533273.db2.gz DDCBETOVJYXTAS-UHFFFAOYSA-N 0 1 390.491 3.382 20 0 GGADMN COc1ccc([C@H](CNc2nc(-c3nn[n-]n3)ccc2C)[NH+]2CCCCC2)cc1 ZINC000826188728 608540245 /nfs/dbraw/zinc/54/02/45/608540245.db2.gz DTKMCGORKMOOEO-IBGZPJMESA-N 0 1 393.495 3.218 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1OC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435308 608550793 /nfs/dbraw/zinc/55/07/93/608550793.db2.gz TVAVHUGRNBVODQ-AWEZNQCLSA-N 0 1 397.479 3.476 20 0 GGADMN COc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826218701 608553698 /nfs/dbraw/zinc/55/36/98/608553698.db2.gz IYHJMJTUVJHWNX-SFHVURJKSA-N 0 1 394.479 3.191 20 0 GGADMN COC(=O)C(C)(C)[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccccc1 ZINC000826098539 608555114 /nfs/dbraw/zinc/55/51/14/608555114.db2.gz HWPSYYAGCSZTAZ-KRWDZBQOSA-N 0 1 383.427 3.036 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507313 608561896 /nfs/dbraw/zinc/56/18/96/608561896.db2.gz WJLBPYNAOKLIEM-JSGCOSHPSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507313 608561897 /nfs/dbraw/zinc/56/18/97/608561897.db2.gz WJLBPYNAOKLIEM-JSGCOSHPSA-N 0 1 392.529 3.196 20 0 GGADMN COCCN(C/C=C\c1ccccc1OC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157964 608567194 /nfs/dbraw/zinc/56/71/94/608567194.db2.gz UBSUGAPTVTZEKC-ALCCZGGFSA-N 0 1 379.464 3.037 20 0 GGADMN COc1ccc([C@@H]2CCCN2Cc2cccc(-c3nn[nH]n3)c2F)c(OC)c1 ZINC000826190406 608644948 /nfs/dbraw/zinc/64/49/48/608644948.db2.gz ZZMLZOAKZFGYAL-KRWDZBQOSA-N 0 1 383.427 3.360 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824505741 608674076 /nfs/dbraw/zinc/67/40/76/608674076.db2.gz HWGHVUSXBZHXNF-GFCCVEGCSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824505741 608674078 /nfs/dbraw/zinc/67/40/78/608674078.db2.gz HWGHVUSXBZHXNF-GFCCVEGCSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824901223 608711626 /nfs/dbraw/zinc/71/16/26/608711626.db2.gz YBHGRZIFWWCDJO-UGSOOPFHSA-N 0 1 377.427 3.237 20 0 GGADMN CC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209531 608723232 /nfs/dbraw/zinc/72/32/32/608723232.db2.gz AAXFTFSPNDPOHE-OCCSQVGLSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209531 608723234 /nfs/dbraw/zinc/72/32/34/608723234.db2.gz AAXFTFSPNDPOHE-OCCSQVGLSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209531 608723235 /nfs/dbraw/zinc/72/32/35/608723235.db2.gz AAXFTFSPNDPOHE-OCCSQVGLSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209531 608723238 /nfs/dbraw/zinc/72/32/38/608723238.db2.gz AAXFTFSPNDPOHE-OCCSQVGLSA-N 0 1 392.529 3.053 20 0 GGADMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cnc3ccc(-c4nn[nH]n4)cn23)o1 ZINC000826284746 608748342 /nfs/dbraw/zinc/74/83/42/608748342.db2.gz DINOZMIYBSSRDG-CXAGYDPISA-N 0 1 377.452 3.389 20 0 GGADMN C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528506 609133146 /nfs/dbraw/zinc/13/31/46/609133146.db2.gz ASSITDJURBVBHZ-AUUYWEPGSA-N 0 1 394.454 3.020 20 0 GGADMN C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824612224 609137038 /nfs/dbraw/zinc/13/70/38/609137038.db2.gz LBFWRTXOTOPLOR-JTQLQIEISA-N 0 1 389.818 3.281 20 0 GGADMN CC[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000825144072 609169279 /nfs/dbraw/zinc/16/92/79/609169279.db2.gz YFFAWABQFMAOAA-OALUTQOASA-N 0 1 394.454 3.242 20 0 GGADMN C[C@@H](NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000824537766 609249439 /nfs/dbraw/zinc/24/94/39/609249439.db2.gz GEHDFUGSOCIBOB-MRXNPFEDSA-N 0 1 385.475 3.451 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N(CC2CCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826229409 609301522 /nfs/dbraw/zinc/30/15/22/609301522.db2.gz CXVQZJOWMVDACZ-UHFFFAOYSA-N 0 1 396.476 3.136 20 0 GGADMN C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613639 609325221 /nfs/dbraw/zinc/32/52/21/609325221.db2.gz WFUKOUWSSZKTSM-CQSZACIVSA-N 0 1 377.427 3.101 20 0 GGADMN C[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617866 609329152 /nfs/dbraw/zinc/32/91/52/609329152.db2.gz KIMUTLIUIVIBIS-AWEZNQCLSA-N 0 1 394.454 3.374 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824899830 609336606 /nfs/dbraw/zinc/33/66/06/609336606.db2.gz PFSCUFDZSBCHPV-ACJLOTCBSA-N 0 1 389.463 3.273 20 0 GGADMN Cn1cc(CNCc2cc3ccccc3o2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361921 609337887 /nfs/dbraw/zinc/33/78/87/609337887.db2.gz WCHMYWJKIDTLNT-UHFFFAOYSA-N 0 1 385.431 3.303 20 0 GGADMN Cc1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c(N2CCOCC2)c1 ZINC000826288433 609340680 /nfs/dbraw/zinc/34/06/80/609340680.db2.gz GTTCEVHNKDXCCQ-OAHLLOKOSA-N 0 1 396.470 3.002 20 0 GGADMN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c2ccccc21 ZINC000823974275 609344374 /nfs/dbraw/zinc/34/43/74/609344374.db2.gz OXLUYSQLFVVLFO-KPZWWZAWSA-N 0 1 380.427 3.154 20 0 GGADMN CC(C)N1CC[C@H](Nc2ncccc2-c2nn[nH]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297619 609434008 /nfs/dbraw/zinc/43/40/08/609434008.db2.gz XSKODUIOVQMWNL-IRXDYDNUSA-N 0 1 385.422 3.176 20 0 GGADMN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826289047 609524028 /nfs/dbraw/zinc/52/40/28/609524028.db2.gz IGXUYPRRDJOWPL-UHFFFAOYSA-N 0 1 384.248 3.283 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc2c(c(Br)c1)OCO2 ZINC000505103614 650434809 /nfs/dbraw/zinc/43/48/09/650434809.db2.gz RTKRMNNIOVXFRT-UHFFFAOYSA-N 0 1 387.193 3.011 20 0 GGADMN O=C(Nc1cc2ccc(Br)cn2n1)N[C@H]1CCCc2cn[nH]c21 ZINC000482142866 650660957 /nfs/dbraw/zinc/66/09/57/650660957.db2.gz QGGFVNLSBKKNKM-LBPRGKRZSA-N 0 1 375.230 3.019 20 0 GGADMN C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc(Br)s1 ZINC000016382138 1399235761 /nfs/dbraw/zinc/23/57/61/1399235761.db2.gz IIZMLPCOIHSBHN-BDAKNGLRSA-N 0 1 376.345 3.198 20 0 GGADMN COCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000052956946 1406241453 /nfs/dbraw/zinc/24/14/53/1406241453.db2.gz FXEAEBOVHZJSPS-NRFANRHFSA-N 0 1 398.503 3.287 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000052960176 1406244627 /nfs/dbraw/zinc/24/46/27/1406244627.db2.gz QSARAVQSBLLXDL-KRWDZBQOSA-N 0 1 375.469 3.413 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000052969174 1406245655 /nfs/dbraw/zinc/24/56/55/1406245655.db2.gz BIFVNYPEHXIBRL-UHFFFAOYSA-N 0 1 376.504 3.096 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000052968595 1406245806 /nfs/dbraw/zinc/24/58/06/1406245806.db2.gz RQDRMTBIFXTVGQ-UHFFFAOYSA-N 0 1 383.883 3.424 20 0 GGADMN COCCCNC(=O)[C@@H](C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993750 1406251710 /nfs/dbraw/zinc/25/17/10/1406251710.db2.gz DPYJRQDYJQXPHD-CYBMUJFWSA-N 0 1 379.888 3.202 20 0 GGADMN COCCOc1cccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1 ZINC000053009560 1406256849 /nfs/dbraw/zinc/25/68/49/1406256849.db2.gz KKZKYOPGMSCRFN-UHFFFAOYSA-N 0 1 382.504 3.368 20 0 GGADMN COCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000053009309 1406257695 /nfs/dbraw/zinc/25/76/95/1406257695.db2.gz LGUIZUDOUVRPNW-FQEVSTJZSA-N 0 1 398.503 3.287 20 0 GGADMN COCCOc1ccccc1C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000053010537 1406258521 /nfs/dbraw/zinc/25/85/21/1406258521.db2.gz PRPOXALLSNKBEB-OAQYLSRUSA-N 0 1 398.503 3.287 20 0 GGADMN COCCOc1cccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000053010631 1406259510 /nfs/dbraw/zinc/25/95/10/1406259510.db2.gz UDCXCQBMGMJMLO-QFIPXVFZSA-N 0 1 398.503 3.287 20 0 GGADMN CC(C)CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020384 1406262996 /nfs/dbraw/zinc/26/29/96/1406262996.db2.gz DAXKDTABSQNSSV-CQSZACIVSA-N 0 1 395.931 3.247 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccoc2)cc1 ZINC000053020897 1406263234 /nfs/dbraw/zinc/26/32/34/1406263234.db2.gz RXLTZVKGPGNDDC-UHFFFAOYSA-N 0 1 386.429 3.019 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020392 1406263407 /nfs/dbraw/zinc/26/34/07/1406263407.db2.gz OGBZDSRUSWXIRV-ZIAGYGMSSA-N 0 1 395.931 3.389 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020398 1406263443 /nfs/dbraw/zinc/26/34/43/1406263443.db2.gz OGBZDSRUSWXIRV-KBPBESRZSA-N 0 1 395.931 3.389 20 0 GGADMN COc1ccc2[nH]cc(C3=CCN(Cc4cc(=O)n5ccccc5n4)CC3)c2c1 ZINC000053073407 1406280990 /nfs/dbraw/zinc/28/09/90/1406280990.db2.gz BQTXRRZBSDJZER-UHFFFAOYSA-N 0 1 386.455 3.474 20 0 GGADMN CN(CCCCc1ccccc1)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000053079553 1406282585 /nfs/dbraw/zinc/28/25/85/1406282585.db2.gz LZFWRCCGYIRYHW-UHFFFAOYSA-N 0 1 379.504 3.472 20 0 GGADMN Cc1oc(NC(=O)CN(C)CCCCc2ccccc2)c2c1c(C)n[nH]c2=O ZINC000053081832 1406283708 /nfs/dbraw/zinc/28/37/08/1406283708.db2.gz RDTYNBGJXBMDMR-UHFFFAOYSA-N 0 1 382.464 3.026 20 0 GGADMN Cc1[nH]nc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1Br ZINC000053085298 1406285416 /nfs/dbraw/zinc/28/54/16/1406285416.db2.gz FKWIDGXJYFUPTA-UHFFFAOYSA-N 0 1 377.286 3.060 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)NNC(=O)c3ccccc3F)cc2s1 ZINC000053086047 1406285468 /nfs/dbraw/zinc/28/54/68/1406285468.db2.gz DVLYNQCTZXHUBD-UHFFFAOYSA-N 0 1 392.481 3.418 20 0 GGADMN CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H](C)c1ccc(F)cc1 ZINC000053089146 1406286765 /nfs/dbraw/zinc/28/67/65/1406286765.db2.gz CUAMUNIEKCIVBJ-MRXNPFEDSA-N 0 1 397.494 3.417 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000053090636 1406288241 /nfs/dbraw/zinc/28/82/41/1406288241.db2.gz QDQHAZZPPOHFKS-OAQYLSRUSA-N 0 1 385.552 3.248 20 0 GGADMN COc1cc(CNCC(=O)N2CCCc3ccccc32)ccc1OC(F)F ZINC000053097695 1406291023 /nfs/dbraw/zinc/29/10/23/1406291023.db2.gz ISGUTXGENGYJGV-UHFFFAOYSA-N 0 1 376.403 3.366 20 0 GGADMN CCCN(Cc1cc(=O)n2cccc(C)c2n1)C[C@H]1COc2ccccc2O1 ZINC000053095192 1406291862 /nfs/dbraw/zinc/29/18/62/1406291862.db2.gz CUJSRBQPAAAODT-SFHVURJKSA-N 0 1 379.460 3.055 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1=NO[C@@H](c2ccccc2)C1 ZINC000053111533 1406295979 /nfs/dbraw/zinc/29/59/79/1406295979.db2.gz RPWMRODLQFPRNE-OAQYLSRUSA-N 0 1 381.451 3.424 20 0 GGADMN CC(C)(C)CC(=O)NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000053119873 1406298491 /nfs/dbraw/zinc/29/84/91/1406298491.db2.gz XBXNZUXXNDLZFB-KRWDZBQOSA-N 0 1 379.932 3.146 20 0 GGADMN Cc1[nH]nc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1Br ZINC000053120332 1406298885 /nfs/dbraw/zinc/29/88/85/1406298885.db2.gz JRJRCBLRDHCRKK-UHFFFAOYSA-N 0 1 397.704 3.092 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(F)c(NC(C)=O)c2)N2CCCC2)c1 ZINC000053119833 1406299409 /nfs/dbraw/zinc/29/94/09/1406299409.db2.gz FIKNHYQYMCDQJV-NRFANRHFSA-N 0 1 399.466 3.360 20 0 GGADMN C[C@H](c1cc(F)ccc1F)N(C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000053127027 1406302782 /nfs/dbraw/zinc/30/27/82/1406302782.db2.gz ZIBPPIGYRWFAAQ-MRXNPFEDSA-N 0 1 388.462 3.092 20 0 GGADMN Cc1n[nH]c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1Br ZINC000053141908 1406306525 /nfs/dbraw/zinc/30/65/25/1406306525.db2.gz QZGWMIJAFYSVQT-LLVKDONJSA-N 0 1 383.315 3.109 20 0 GGADMN Cc1oc(NC(=O)CN2CCC[C@H]2CCc2ccccc2)c2c1c(C)n[nH]c2=O ZINC000053182370 1406318614 /nfs/dbraw/zinc/31/86/14/1406318614.db2.gz MSRYLBZZBSWHIK-KRWDZBQOSA-N 0 1 394.475 3.169 20 0 GGADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)NCCOc1ccc(F)cc1 ZINC000053264554 1406346989 /nfs/dbraw/zinc/34/69/89/1406346989.db2.gz ITWBJIJDSFRIBX-UHFFFAOYSA-N 0 1 390.415 3.037 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(-n3nccc3C)cc2)N(C)C)c1 ZINC000053271343 1406350638 /nfs/dbraw/zinc/35/06/38/1406350638.db2.gz DWTCVYJXYPBMGN-OAQYLSRUSA-N 0 1 378.476 3.222 20 0 GGADMN CCOC(=O)Nc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000053271426 1406350777 /nfs/dbraw/zinc/35/07/77/1406350777.db2.gz JIOVLSDXAJRDLD-LJQANCHMSA-N 0 1 385.464 3.296 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)N(C)C)c1 ZINC000053272125 1406351063 /nfs/dbraw/zinc/35/10/63/1406351063.db2.gz YQLXQYJQBKZPEL-APWZRJJASA-N 0 1 388.895 3.319 20 0 GGADMN COCCOc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000053272375 1406351778 /nfs/dbraw/zinc/35/17/78/1406351778.db2.gz UFFRMTLSTVWPNC-UHFFFAOYSA-N 0 1 383.492 3.024 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000053273890 1406352419 /nfs/dbraw/zinc/35/24/19/1406352419.db2.gz ZAGRHMJSUMICBE-RTBURBONSA-N 0 1 383.517 3.431 20 0 GGADMN COc1cccc(NC(=O)CN(C)C(=O)CN2CCC[C@@H]2c2ccccc2C)c1 ZINC000053279516 1406353693 /nfs/dbraw/zinc/35/36/93/1406353693.db2.gz HFLHKTWLLLESAC-OAQYLSRUSA-N 0 1 395.503 3.238 20 0 GGADMN COc1cc(OC)c(CNC(=O)CN2CCC[C@H]2c2ccccc2C)c(OC)c1 ZINC000053279867 1406353893 /nfs/dbraw/zinc/35/38/93/1406353893.db2.gz VAEBYUFVYDRONX-FQEVSTJZSA-N 0 1 398.503 3.474 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2oc3ccccc3c2COC(C)C)C1 ZINC000053285306 1406355682 /nfs/dbraw/zinc/35/56/82/1406355682.db2.gz JOGYYYRTHDWWOQ-KRWDZBQOSA-N 0 1 388.508 3.444 20 0 GGADMN NC(=O)CCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000053288281 1406356453 /nfs/dbraw/zinc/35/64/53/1406356453.db2.gz AUEWCIGGQOJTSW-UHFFFAOYSA-N 0 1 384.823 3.237 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N[C@H](c2nccn2C)c2ccccc2OC)o1 ZINC000053352979 1406372855 /nfs/dbraw/zinc/37/28/55/1406372855.db2.gz XZZQHBVOGXKHNI-FQEVSTJZSA-N 0 1 396.491 3.383 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000053398897 1406384139 /nfs/dbraw/zinc/38/41/39/1406384139.db2.gz WKLDBPYQXCKFOK-ZDUSSCGKSA-N 0 1 378.407 3.318 20 0 GGADMN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C(C)=O)cc2OC)cc1 ZINC000053398821 1406384249 /nfs/dbraw/zinc/38/42/49/1406384249.db2.gz WLZVXTDTVANJPM-PZJWPPBQSA-N 0 1 399.487 3.483 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000053400913 1406384668 /nfs/dbraw/zinc/38/46/68/1406384668.db2.gz MZHAGQBBFRFPLN-FYYLOGMGSA-N 0 1 379.504 3.327 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN(C)Cc2cnn(C)c2)c2ccccc2)cc1 ZINC000053400901 1406385357 /nfs/dbraw/zinc/38/53/57/1406385357.db2.gz UABFNGQYCBYNBA-DHIUTWEWSA-N 0 1 379.504 3.327 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccsc1 ZINC000053459212 1406400133 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CN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000053524231 1406425284 /nfs/dbraw/zinc/42/52/84/1406425284.db2.gz YDOGXGPYNZCCGH-QGZVFWFLSA-N 0 1 385.464 3.377 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2C[C@@H](C)O[C@@H](C)C2)N2CCCCC2)cc1 ZINC000053527646 1406427483 /nfs/dbraw/zinc/42/74/83/1406427483.db2.gz KUWXXGNGMGJRHA-QKLQHJQFSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@@H](c2cccs2)N(C)C)c(OC)c1 ZINC000053528670 1406427975 /nfs/dbraw/zinc/42/79/75/1406427975.db2.gz SBEDYBBGFROICP-INIZCTEOSA-N 0 1 377.510 3.210 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000053529744 1406428868 /nfs/dbraw/zinc/42/88/68/1406428868.db2.gz FYENAXPORXNSPO-MRXNPFEDSA-N 0 1 388.537 3.248 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000053533921 1406430624 /nfs/dbraw/zinc/43/06/24/1406430624.db2.gz QLVOLYBKYRVGHE-SFHVURJKSA-N 0 1 388.537 3.005 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000053534702 1406430821 /nfs/dbraw/zinc/43/08/21/1406430821.db2.gz JJIGHCSHZSGEAS-KRWDZBQOSA-N 0 1 375.444 3.406 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(OC)c1 ZINC000053538565 1406433474 /nfs/dbraw/zinc/43/34/74/1406433474.db2.gz VZSFSQMTROROOI-LJQANCHMSA-N 0 1 389.471 3.287 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)CCOc1ccccc1F)c1cccc(F)c1 ZINC000053539029 1406433024 /nfs/dbraw/zinc/43/30/24/1406433024.db2.gz QCBNOEKOCPQDAX-SFHVURJKSA-N 0 1 377.435 3.288 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000053539020 1406433215 /nfs/dbraw/zinc/43/32/15/1406433215.db2.gz UPAWBKRPCLIWDZ-IBGZPJMESA-N 0 1 390.528 3.017 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(F)c1 ZINC000053538446 1406433235 /nfs/dbraw/zinc/43/32/35/1406433235.db2.gz LPOKAERTGAGMRF-FQEVSTJZSA-N 0 1 388.462 3.099 20 0 GGADMN Cc1ccccc1N1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC000053538197 1406433310 /nfs/dbraw/zinc/43/33/10/1406433310.db2.gz MWEYIZGTRDSDRB-NRFANRHFSA-N 0 1 384.499 3.269 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCN(c3cccc(C)c3)CC2)N(C)C)c1 ZINC000053539615 1406433574 /nfs/dbraw/zinc/43/35/74/1406433574.db2.gz AGOFKNFVWHAJII-QFIPXVFZSA-N 0 1 396.535 3.138 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000053538596 1406433616 /nfs/dbraw/zinc/43/36/16/1406433616.db2.gz LKWVWXDIXSCVAT-GOSISDBHSA-N 0 1 387.455 3.041 20 0 GGADMN CN(c1ccccc1)c1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cn1 ZINC000053569694 1406445819 /nfs/dbraw/zinc/44/58/19/1406445819.db2.gz DTGBRIOVVFARKU-UHFFFAOYSA-N 0 1 394.519 3.034 20 0 GGADMN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000053569751 1406445868 /nfs/dbraw/zinc/44/58/68/1406445868.db2.gz QLTPQJZLKWJENX-IBGZPJMESA-N 0 1 388.552 3.457 20 0 GGADMN Cc1cc(O[C@@H](C)C(=O)N2CCC(CN3CCOCC3)CC2)ccc1C(C)C ZINC000053569755 1406446546 /nfs/dbraw/zinc/44/65/46/1406446546.db2.gz NTVIPBAJTRJJTA-IBGZPJMESA-N 0 1 388.552 3.457 20 0 GGADMN O=C(CCCOc1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000053569793 1406446669 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CNC(=O)[C@H](NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccccc1 ZINC000053643870 1406468966 /nfs/dbraw/zinc/46/89/66/1406468966.db2.gz YOUJGNIGRXKUTF-WOJBJXKFSA-N 0 1 385.483 3.106 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)cc1OCC ZINC000053671974 1406474733 /nfs/dbraw/zinc/47/47/33/1406474733.db2.gz SDSCPSBEKRILMF-UHFFFAOYSA-N 0 1 398.569 3.225 20 0 GGADMN Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)[nH]1 ZINC000053674041 1406475338 /nfs/dbraw/zinc/47/53/38/1406475338.db2.gz WKUWAEBXYBTHSR-UHFFFAOYSA-N 0 1 379.898 3.351 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)n1 ZINC000053674041 1406475349 /nfs/dbraw/zinc/47/53/49/1406475349.db2.gz WKUWAEBXYBTHSR-UHFFFAOYSA-N 0 1 379.898 3.351 20 0 GGADMN Cc1nnc(SCC(=O)NCc2ccc(COCc3ccccc3)cc2)[nH]1 ZINC000053673731 1406475966 /nfs/dbraw/zinc/47/59/66/1406475966.db2.gz RILVXCCGHJBVOT-UHFFFAOYSA-N 0 1 382.489 3.238 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2ccc(COCc3ccccc3)cc2)n1 ZINC000053673731 1406475972 /nfs/dbraw/zinc/47/59/72/1406475972.db2.gz RILVXCCGHJBVOT-UHFFFAOYSA-N 0 1 382.489 3.238 20 0 GGADMN COCc1ccc(CNC(=O)CSc2n[nH]c(CCC3CCCC3)n2)cc1 ZINC000053714571 1406486544 /nfs/dbraw/zinc/48/65/44/1406486544.db2.gz ZTMQWEJIBQUQEO-UHFFFAOYSA-N 0 1 388.537 3.482 20 0 GGADMN COCc1ccc(CNC(=O)CSc2nc(CCC3CCCC3)n[nH]2)cc1 ZINC000053714571 1406486553 /nfs/dbraw/zinc/48/65/53/1406486553.db2.gz ZTMQWEJIBQUQEO-UHFFFAOYSA-N 0 1 388.537 3.482 20 0 GGADMN Cc1ccccc1CN1CCCN(C(=O)CSc2nccn2C2CC2)CC1 ZINC000053717318 1406486955 /nfs/dbraw/zinc/48/69/55/1406486955.db2.gz OPHYLCOWJAAKDJ-UHFFFAOYSA-N 0 1 384.549 3.353 20 0 GGADMN CCCOCc1ccccc1CNC(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000053716030 1406487004 /nfs/dbraw/zinc/48/70/04/1406487004.db2.gz YODYUYYZKABGRN-UHFFFAOYSA-N 0 1 376.526 3.437 20 0 GGADMN Cc1nc(CSCC(=O)N2CCCN(Cc3ccccc3)CC2)cs1 ZINC000053721594 1406489108 /nfs/dbraw/zinc/48/91/08/1406489108.db2.gz ZJPUVUJVLFQPME-UHFFFAOYSA-N 0 1 375.563 3.419 20 0 GGADMN O=C(Cc1csc(-c2ccccn2)n1)N1CCCN(Cc2ccccc2)CC1 ZINC000053721470 1406489225 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20 0 GGADMN COc1ccc(-c2cc(CN3CCC(C(=O)NCC(F)(F)F)CC3)on2)cc1 ZINC000027781294 1400093212 /nfs/dbraw/zinc/09/32/12/1400093212.db2.gz IUOPGSYKEZUJIQ-UHFFFAOYSA-N 0 1 397.397 3.241 20 0 GGADMN Cc1csc(N2CCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)CC2)n1 ZINC000027818614 1400096546 /nfs/dbraw/zinc/09/65/46/1400096546.db2.gz LCRAQJQXNNGCRX-UHFFFAOYSA-N 0 1 387.896 3.457 20 0 GGADMN CNc1ccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000027915842 1400104882 /nfs/dbraw/zinc/10/48/82/1400104882.db2.gz MXUJMVIIIYXANP-UHFFFAOYSA-N 0 1 382.464 3.293 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000027930248 1400106224 /nfs/dbraw/zinc/10/62/24/1400106224.db2.gz OOJQMDIUHSFYTG-UHFFFAOYSA-N 0 1 383.536 3.475 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000028005931 1400117263 /nfs/dbraw/zinc/11/72/63/1400117263.db2.gz XCXCKUKISVIQKZ-XVNBXDOJSA-N 0 1 399.878 3.472 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000028014226 1400118278 /nfs/dbraw/zinc/11/82/78/1400118278.db2.gz KBHOJNXOJZTMAX-INIZCTEOSA-N 0 1 375.538 3.092 20 0 GGADMN COCc1c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)sc2cccc(F)c21 ZINC000028015262 1400118930 /nfs/dbraw/zinc/11/89/30/1400118930.db2.gz AZYGQVKFFQHPLL-CQSZACIVSA-N 0 1 394.512 3.273 20 0 GGADMN COc1ccc2cc([C@H](C)C(=O)NC[C@H]3CN(CC(C)C)CCO3)ccc2c1 ZINC000028014661 1400119200 /nfs/dbraw/zinc/11/92/00/1400119200.db2.gz ABODBQLGLYRQHS-JTSKRJEESA-N 0 1 384.520 3.425 20 0 GGADMN CC(C)COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000028207070 1400140268 /nfs/dbraw/zinc/14/02/68/1400140268.db2.gz MYNBFVUGPMZQEI-UHFFFAOYSA-N 0 1 391.445 3.071 20 0 GGADMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000028241672 1400142410 /nfs/dbraw/zinc/14/24/10/1400142410.db2.gz OUQUITRULUYOPI-UHFFFAOYSA-N 0 1 389.351 3.481 20 0 GGADMN COCC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000028251864 1400142847 /nfs/dbraw/zinc/14/28/47/1400142847.db2.gz QBIOUCZOCGYFGY-UHFFFAOYSA-N 0 1 389.260 3.379 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000028308512 1400148906 /nfs/dbraw/zinc/14/89/06/1400148906.db2.gz ZJDRBPLJSZSFFO-ZDUSSCGKSA-N 0 1 392.883 3.381 20 0 GGADMN COc1cc(CN[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OCC(N)=O ZINC000028309529 1400149385 /nfs/dbraw/zinc/14/93/85/1400149385.db2.gz IDRWERKPGAHVOS-ZDUSSCGKSA-N 0 1 384.432 3.165 20 0 GGADMN CC(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000028318969 1400150473 /nfs/dbraw/zinc/15/04/73/1400150473.db2.gz WHGWCQFGNNWJJF-OAQYLSRUSA-N 0 1 390.524 3.328 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000028339355 1400154063 /nfs/dbraw/zinc/15/40/63/1400154063.db2.gz WAKMOQVXYVNJGX-ZIAGYGMSSA-N 0 1 382.464 3.281 20 0 GGADMN Cc1cc(C)n2nc(C(=O)Nc3nnc(SCc4ccccc4)s3)nc2n1 ZINC000028605109 1400176541 /nfs/dbraw/zinc/17/65/41/1400176541.db2.gz YHDQDNHQNGMRKU-UHFFFAOYSA-N 0 1 397.489 3.137 20 0 GGADMN CCOC(=O)c1cccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2C)c1 ZINC000028661136 1400182057 /nfs/dbraw/zinc/18/20/57/1400182057.db2.gz AEEXATCHCSHNHQ-GOEBONIOSA-N 0 1 375.490 3.284 20 0 GGADMN O[C@@H](COc1ccc2ccccc2c1)CN1CCN(CCc2ccccc2)CC1 ZINC000028693849 1400186538 /nfs/dbraw/zinc/18/65/38/1400186538.db2.gz FVQGMGDTELUGCF-XMMPIXPASA-N 0 1 390.527 3.440 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C(C)(C)C)c1 ZINC000028697871 1400187115 /nfs/dbraw/zinc/18/71/15/1400187115.db2.gz FUCIHYGNPOQZHH-UHFFFAOYSA-N 0 1 378.450 3.186 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nc(-c3ccccc3)oc2C)c1 ZINC000028813340 1400199531 /nfs/dbraw/zinc/19/95/31/1400199531.db2.gz LINQIGXWFFOXDT-UHFFFAOYSA-N 0 1 386.429 3.402 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(Nc2ncccn2)c1 ZINC000028837682 1400202096 /nfs/dbraw/zinc/20/20/96/1400202096.db2.gz ZNGKZADVXMGIOY-SFHVURJKSA-N 0 1 377.448 3.380 20 0 GGADMN Cc1cc2nc(C)c(CCC(=O)Nc3nc(-c4ccc(C)cc4)n[nH]3)c(C)n2n1 ZINC000028855815 1400203378 /nfs/dbraw/zinc/20/33/78/1400203378.db2.gz XVZIWWVEYBIKJO-UHFFFAOYSA-N 0 1 389.463 3.319 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)n2)cc1 ZINC000028856580 1400204305 /nfs/dbraw/zinc/20/43/05/1400204305.db2.gz XCMMEWGUQRLHEU-AWEZNQCLSA-N 0 1 379.420 3.034 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCNC(=O)NC3CCCCC3)n2)cc1 ZINC000028857157 1400204395 /nfs/dbraw/zinc/20/43/95/1400204395.db2.gz WBOBEPOZUUCOIJ-UHFFFAOYSA-N 0 1 384.484 3.131 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CCc3nc(-c4ccsc4)no3)n2)cc1 ZINC000028856214 1400204468 /nfs/dbraw/zinc/20/44/68/1400204468.db2.gz PBJJVJSBLMBVDA-UHFFFAOYSA-N 0 1 380.433 3.463 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Sc1nnc(C(C)(C)C)[nH]1 ZINC000028856952 1400204494 /nfs/dbraw/zinc/20/44/94/1400204494.db2.gz HQGBYODNIWLPCS-JTQLQIEISA-N 0 1 391.497 3.189 20 0 GGADMN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000028857236 1400204514 /nfs/dbraw/zinc/20/45/14/1400204514.db2.gz GNMHIISRGVIUJH-GFCCVEGCSA-N 0 1 387.509 3.348 20 0 GGADMN CC(=O)c1ccc(NC(=O)CCN2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000028881570 1400207570 /nfs/dbraw/zinc/20/75/70/1400207570.db2.gz JLORANFWHZWLFK-UHFFFAOYSA-N 0 1 379.504 3.344 20 0 GGADMN C[N@@H+](CC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000028899930 1400209530 /nfs/dbraw/zinc/20/95/30/1400209530.db2.gz NBBKBKHHDODFOS-VYBOSXCSSA-N 0 1 396.487 3.165 20 0 GGADMN COc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)cc1OCC(N)=O ZINC000028926246 1400212304 /nfs/dbraw/zinc/21/23/04/1400212304.db2.gz FHPZXLYRZDEIDW-LBPRGKRZSA-N 0 1 380.391 3.012 20 0 GGADMN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Cl)cc(Cl)c1O ZINC000028924241 1400212320 /nfs/dbraw/zinc/21/23/20/1400212320.db2.gz GRLBXYKUSZACAO-KRWDZBQOSA-N 0 1 394.258 3.036 20 0 GGADMN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000028924242 1400212429 /nfs/dbraw/zinc/21/24/29/1400212429.db2.gz GRLBXYKUSZACAO-QGZVFWFLSA-N 0 1 394.258 3.036 20 0 GGADMN CC(C)n1ncc2cc([C@@H]3NC(=N)Nc4nc5ccccc5n43)c(Cl)nc21 ZINC000028923027 1400212645 /nfs/dbraw/zinc/21/26/45/1400212645.db2.gz BBGCVFWFNISOIL-MRXNPFEDSA-N 0 1 380.843 3.302 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)n2)cc1 ZINC000028967297 1400217235 /nfs/dbraw/zinc/21/72/35/1400217235.db2.gz LIOFRPZRLAXIKS-CYBMUJFWSA-N 0 1 397.385 3.050 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)cc2[nH]1 ZINC000028969579 1400218246 /nfs/dbraw/zinc/21/82/46/1400218246.db2.gz HBQVVMOWGXOIDX-MFKMUULPSA-N 0 1 382.386 3.256 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)cc2[nH]1 ZINC000028969589 1400218266 /nfs/dbraw/zinc/21/82/66/1400218266.db2.gz HBQVVMOWGXOIDX-ZWNOBZJWSA-N 0 1 382.386 3.256 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000029031001 1400227313 /nfs/dbraw/zinc/22/73/13/1400227313.db2.gz MZTKRSSPTRJDEH-MRXNPFEDSA-N 0 1 398.894 3.156 20 0 GGADMN COc1ccc2nc(SCC(=O)Nc3ccccc3N3CCCC3=O)[nH]c2c1 ZINC000029048990 1400230113 /nfs/dbraw/zinc/23/01/13/1400230113.db2.gz UBTZDFVEFJYLMU-UHFFFAOYSA-N 0 1 396.472 3.429 20 0 GGADMN COc1ccc2nc(SCC(=O)Nc3cccc(C(=O)NC4CC4)c3)[nH]c2c1 ZINC000029049010 1400230336 /nfs/dbraw/zinc/23/03/36/1400230336.db2.gz PEMHXBZXGCTRNZ-UHFFFAOYSA-N 0 1 396.472 3.195 20 0 GGADMN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)c1ccc(F)cc1 ZINC000029093476 1400237122 /nfs/dbraw/zinc/23/71/22/1400237122.db2.gz VNAGAGVLHVLIKZ-UHFFFAOYSA-N 0 1 392.434 3.250 20 0 GGADMN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000029094166 1400237750 /nfs/dbraw/zinc/23/77/50/1400237750.db2.gz XBVWTMDAVMFQLQ-LJQANCHMSA-N 0 1 389.499 3.236 20 0 GGADMN COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2nc3ccc(OC)cc3[nH]2)cc1 ZINC000029117607 1400243999 /nfs/dbraw/zinc/24/39/99/1400243999.db2.gz LDUIIKYEKYCLFP-GFCCVEGCSA-N 0 1 399.472 3.155 20 0 GGADMN C[C@H](CNC(=O)CCCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 ZINC000029124424 1400244946 /nfs/dbraw/zinc/24/49/46/1400244946.db2.gz KUJNGLUHSHRUNC-QGZVFWFLSA-N 0 1 376.504 3.449 20 0 GGADMN CCOC(=O)CCCNC(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000029155772 1400249663 /nfs/dbraw/zinc/24/96/63/1400249663.db2.gz AZELWLNKVGWMMJ-IBGZPJMESA-N 0 1 376.497 3.072 20 0 GGADMN CCOC(=O)CCCNC(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000029155766 1400249759 /nfs/dbraw/zinc/24/97/59/1400249759.db2.gz AZELWLNKVGWMMJ-LJQANCHMSA-N 0 1 376.497 3.072 20 0 GGADMN O=C1NC(=O)C(=CNC[C@@H](c2ccccc2Cl)N2CCCC2)c2ccccc21 ZINC000029185237 1400255958 /nfs/dbraw/zinc/25/59/58/1400255958.db2.gz NEYPSQFLQJXRFW-ZPBCLNFZSA-N 0 1 395.890 3.378 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccs1 ZINC000029234048 1400263869 /nfs/dbraw/zinc/26/38/69/1400263869.db2.gz UPFLLHXVGURMDL-GOSISDBHSA-N 0 1 394.500 3.428 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC(=O)Nc1ccccc1 ZINC000029238486 1400264532 /nfs/dbraw/zinc/26/45/32/1400264532.db2.gz YOTHQMPGHVMAJY-LLVKDONJSA-N 0 1 385.424 3.440 20 0 GGADMN CCCc1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc43)CC2)n[nH]1 ZINC000029254382 1400266729 /nfs/dbraw/zinc/26/67/29/1400266729.db2.gz QJQYILFCFSVWGD-UHFFFAOYSA-N 0 1 376.460 3.114 20 0 GGADMN O=C(Nc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000029277252 1400273616 /nfs/dbraw/zinc/27/36/16/1400273616.db2.gz IRXVTVXQIKGNJJ-UHFFFAOYSA-N 0 1 395.440 3.070 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nc2ccccc2o1 ZINC000029370387 1400289109 /nfs/dbraw/zinc/28/91/09/1400289109.db2.gz SXTUUKPBJHMDQD-UHFFFAOYSA-N 0 1 378.476 3.459 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N(C)CCOc2ccc(F)cc2)c(C)c1 ZINC000029405409 1400293689 /nfs/dbraw/zinc/29/36/89/1400293689.db2.gz DERAGXIROJDDIO-MRXNPFEDSA-N 0 1 387.455 3.490 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)n[nH]2)cc1 ZINC000029430571 1400297779 /nfs/dbraw/zinc/29/77/79/1400297779.db2.gz ARTXJDCRWKSFSP-UHFFFAOYSA-N 0 1 388.471 3.373 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F ZINC000029435580 1400298849 /nfs/dbraw/zinc/29/88/49/1400298849.db2.gz BZZIFOJDGWYZOI-JTQLQIEISA-N 0 1 389.408 3.079 20 0 GGADMN O=c1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)nc2ccc(Cl)cn12 ZINC000029479090 1400304267 /nfs/dbraw/zinc/30/42/67/1400304267.db2.gz ZIBMABCTAWTOMA-NRFANRHFSA-N 0 1 383.879 3.294 20 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CCCCCCn1nc(C(=O)N2CCN(CC(C)C)CC2)c2ccccc2c1=O ZINC000043008635 1403689797 /nfs/dbraw/zinc/68/97/97/1403689797.db2.gz DRADEUFJGCQGNF-UHFFFAOYSA-N 0 1 398.551 3.391 20 0 GGADMN CS[C@@H](C)C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000043039784 1403694501 /nfs/dbraw/zinc/69/45/01/1403694501.db2.gz XBBSJSBAIJTOEZ-AWEZNQCLSA-N 0 1 389.487 3.085 20 0 GGADMN O=C(CCc1nnc(-c2ccsc2)o1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000043108302 1403709462 /nfs/dbraw/zinc/70/94/62/1403709462.db2.gz CUIINYBEMREWQW-HNNXBMFYSA-N 0 1 386.477 3.277 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCc3ccc(O)cc3C2)N2CCCC2)cc1 ZINC000043111411 1403710716 /nfs/dbraw/zinc/71/07/16/1403710716.db2.gz PVBFJNVUMSBPTB-QFIPXVFZSA-N 0 1 395.503 3.306 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000043136516 1403713746 /nfs/dbraw/zinc/71/37/46/1403713746.db2.gz BXXIFRGXVLDIIE-KXBFYZLASA-N 0 1 396.491 3.362 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)CCO1 ZINC000043138907 1403715429 /nfs/dbraw/zinc/71/54/29/1403715429.db2.gz PRJUZWCDOHNGSX-UYAOXDASSA-N 0 1 375.513 3.043 20 0 GGADMN CCCCCNC(=O)C1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000043144242 1403717609 /nfs/dbraw/zinc/71/76/09/1403717609.db2.gz FQVTUWSHCVZDEV-KRWDZBQOSA-N 0 1 394.585 3.079 20 0 GGADMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000043145802 1403718818 /nfs/dbraw/zinc/71/88/18/1403718818.db2.gz CBLICFIPFCCTMD-YJBOKZPZSA-N 0 1 398.536 3.334 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000043145278 1403718881 /nfs/dbraw/zinc/71/88/81/1403718881.db2.gz KVBUTLZYJVWNCD-CXAGYDPISA-N 0 1 386.521 3.296 20 0 GGADMN CCN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000043145130 1403719025 /nfs/dbraw/zinc/71/90/25/1403719025.db2.gz ITPUZGLMIXFAON-JKSUJKDBSA-N 0 1 389.521 3.222 20 0 GGADMN Cc1nc2ccccc2n1CCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000043167462 1403723624 /nfs/dbraw/zinc/72/36/24/1403723624.db2.gz KCQUPOSWFXSYFM-HXUWFJFHSA-N 0 1 395.507 3.464 20 0 GGADMN Cc1nc2ccccc2n1CCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000043167461 1403723854 /nfs/dbraw/zinc/72/38/54/1403723854.db2.gz KCQUPOSWFXSYFM-FQEVSTJZSA-N 0 1 395.507 3.464 20 0 GGADMN O=C(NCc1ccc(-n2cccn2)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000043166873 1403723931 /nfs/dbraw/zinc/72/39/31/1403723931.db2.gz VBOXMDDNBGJMPP-LJQANCHMSA-N 0 1 379.464 3.102 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000043168130 1403724424 /nfs/dbraw/zinc/72/44/24/1403724424.db2.gz UXDSXBMUOYXTOF-DNVCBOLYSA-N 0 1 396.491 3.362 20 0 GGADMN COc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(OC)c1OC ZINC000043170552 1403725850 /nfs/dbraw/zinc/72/58/50/1403725850.db2.gz ZTVVUWHJHKYWTH-HNNXBMFYSA-N 0 1 389.452 3.264 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000043228081 1403729632 /nfs/dbraw/zinc/72/96/32/1403729632.db2.gz LGRDEJDLBQTKEE-UHFFFAOYSA-N 0 1 392.547 3.178 20 0 GGADMN COc1cccc(N2CCN(Cc3ccc(OCc4nccn4C)cc3)CC2)c1 ZINC000043273045 1403738553 /nfs/dbraw/zinc/73/85/53/1403738553.db2.gz RLIQYGOQQOZWRS-UHFFFAOYSA-N 0 1 392.503 3.330 20 0 GGADMN Cc1ccc(NC(=O)[C@H](NCC(C)(C)N2CCOCC2)c2ccccc2)cc1 ZINC000043302179 1403744028 /nfs/dbraw/zinc/74/40/28/1403744028.db2.gz YSHXDJVUGOEXEH-OAQYLSRUSA-N 0 1 381.520 3.375 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000056529411 1407354045 /nfs/dbraw/zinc/35/40/45/1407354045.db2.gz CIKQOUVBVXHACT-KRWDZBQOSA-N 0 1 386.452 3.441 20 0 GGADMN CCc1nnc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)s1 ZINC000043345733 1403750876 /nfs/dbraw/zinc/75/08/76/1403750876.db2.gz PXIDYRLLZDYRBM-AWEZNQCLSA-N 0 1 375.498 3.068 20 0 GGADMN CCc1nnc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)s1 ZINC000043345824 1403751018 /nfs/dbraw/zinc/75/10/18/1403751018.db2.gz KOCMGBZDDIIKMR-MRXNPFEDSA-N 0 1 389.525 3.458 20 0 GGADMN CCc1nnc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)s1 ZINC000043345882 1403751129 /nfs/dbraw/zinc/75/11/29/1403751129.db2.gz WUCBDZKDLVDZFA-OAHLLOKOSA-N 0 1 375.498 3.068 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000043349199 1403751746 /nfs/dbraw/zinc/75/17/46/1403751746.db2.gz UAVMRYAXKNKGLS-KRWDZBQOSA-N 0 1 382.936 3.051 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1 ZINC000043388060 1403756522 /nfs/dbraw/zinc/75/65/22/1403756522.db2.gz MPEHKWVKYLIYAZ-LJQANCHMSA-N 0 1 385.464 3.215 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000043388058 1403756538 /nfs/dbraw/zinc/75/65/38/1403756538.db2.gz MPEHKWVKYLIYAZ-IBGZPJMESA-N 0 1 385.464 3.215 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2nnc(C)s2)N2CCCCC2)cc1 ZINC000043412448 1403758661 /nfs/dbraw/zinc/75/86/61/1403758661.db2.gz LJKNJUHPKPNXKM-MRXNPFEDSA-N 0 1 375.498 3.204 20 0 GGADMN CCOc1ccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1OCC ZINC000043416757 1403759596 /nfs/dbraw/zinc/75/95/96/1403759596.db2.gz PJAAPLBXNCZNDI-HZPDHXFCSA-N 0 1 379.501 3.105 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCc2ccccn2)CC1 ZINC000043454836 1403764273 /nfs/dbraw/zinc/76/42/73/1403764273.db2.gz DFFHQDIGHYSECC-UHFFFAOYSA-N 0 1 387.915 3.241 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000043455808 1403764497 /nfs/dbraw/zinc/76/44/97/1403764497.db2.gz LUEMILDZSMJZAJ-UHFFFAOYSA-N 0 1 398.301 3.026 20 0 GGADMN Cc1nc2ccccc2n1CCCNC(=O)NCCN1CCc2ccccc2C1 ZINC000043471101 1403765947 /nfs/dbraw/zinc/76/59/47/1403765947.db2.gz LDHBNIAEZSGMAS-UHFFFAOYSA-N 0 1 391.519 3.092 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)NCc3cn4ccccc4n3)CC2)cc1 ZINC000043477670 1403767879 /nfs/dbraw/zinc/76/78/79/1403767879.db2.gz JQLQYUUDKPFZSQ-UHFFFAOYSA-N 0 1 377.492 3.060 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000043487451 1403771743 /nfs/dbraw/zinc/77/17/43/1403771743.db2.gz PEHZNRBYSWQFFO-SFHVURJKSA-N 0 1 384.480 3.330 20 0 GGADMN CC(=O)Nc1cccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000043489759 1403772099 /nfs/dbraw/zinc/77/20/99/1403772099.db2.gz IWIXACPEEKRDEI-UHFFFAOYSA-N 0 1 395.507 3.027 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCOc1ccc(F)cc1 ZINC000043489938 1403772282 /nfs/dbraw/zinc/77/22/82/1403772282.db2.gz MGYBVRDJILRKJT-UHFFFAOYSA-N 0 1 386.471 3.086 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCOCc1ccccc1 ZINC000043490149 1403772392 /nfs/dbraw/zinc/77/23/92/1403772392.db2.gz PUCZZQQKPKZHBC-UHFFFAOYSA-N 0 1 396.535 3.475 20 0 GGADMN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)no1 ZINC000043490079 1403772639 /nfs/dbraw/zinc/77/26/39/1403772639.db2.gz UYQCISCQCYVFGA-FQEVSTJZSA-N 0 1 383.496 3.412 20 0 GGADMN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)no1 ZINC000043490077 1403772725 /nfs/dbraw/zinc/77/27/25/1403772725.db2.gz UYQCISCQCYVFGA-HXUWFJFHSA-N 0 1 383.496 3.412 20 0 GGADMN Cc1ccc2nc(CSCC(=O)NC[C@H](c3cccs3)N(C)C)cn2c1 ZINC000043507621 1403777085 /nfs/dbraw/zinc/77/70/85/1403777085.db2.gz ARMFYPOZLYMJOU-MRXNPFEDSA-N 0 1 388.562 3.357 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CC1 ZINC000043547368 1403783508 /nfs/dbraw/zinc/78/35/08/1403783508.db2.gz DSRUUUBYVOVWPB-INIZCTEOSA-N 0 1 379.574 3.181 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3ccc(OCC#N)cc3)CC2)cc1 ZINC000043572267 1403786226 /nfs/dbraw/zinc/78/62/26/1403786226.db2.gz FWRUTLHTLBIUTK-UHFFFAOYSA-N 0 1 394.475 3.337 20 0 GGADMN Cn1nc(C(C)(C)C)cc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000043597394 1403789294 /nfs/dbraw/zinc/78/92/94/1403789294.db2.gz WXEZGHXVSZKPNW-UHFFFAOYSA-N 0 1 394.523 3.329 20 0 GGADMN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCCNC(=O)c1ccco1 ZINC000043628955 1403793971 /nfs/dbraw/zinc/79/39/71/1403793971.db2.gz MIKFXSIGSKYSIC-UHFFFAOYSA-N 0 1 386.883 3.314 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000043649345 1403796762 /nfs/dbraw/zinc/79/67/62/1403796762.db2.gz QPPFYXJSUUQEJH-BDAKNGLRSA-N 0 1 385.308 3.133 20 0 GGADMN CNC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000043671920 1403799814 /nfs/dbraw/zinc/79/98/14/1403799814.db2.gz MKAKUGGKOSOPSU-UHFFFAOYSA-N 0 1 380.492 3.094 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1 ZINC000043679471 1403801439 /nfs/dbraw/zinc/80/14/39/1403801439.db2.gz HLIRHGDFLDYBIF-UHFFFAOYSA-N 0 1 394.519 3.485 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000043677774 1403801507 /nfs/dbraw/zinc/80/15/07/1403801507.db2.gz CZXSWUHMKZVLPM-MRXNPFEDSA-N 0 1 380.492 3.005 20 0 GGADMN NC(=O)c1cccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000043715702 1403806225 /nfs/dbraw/zinc/80/62/25/1403806225.db2.gz MOHMKJSQZMNCGE-GOSISDBHSA-N 0 1 386.883 3.398 20 0 GGADMN NC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000043713073 1403806370 /nfs/dbraw/zinc/80/63/70/1403806370.db2.gz RKWUHNORAVEEGX-SFHVURJKSA-N 0 1 386.883 3.398 20 0 GGADMN NC(=O)c1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000043716750 1403806807 /nfs/dbraw/zinc/80/68/07/1403806807.db2.gz LTDVJFJILLHUSE-SFHVURJKSA-N 0 1 386.883 3.398 20 0 GGADMN Cc1c(O)ccc2c(CN(C)Cc3ccc(C(=O)NC4CC4)cc3)cc(=O)oc12 ZINC000043754144 1403812111 /nfs/dbraw/zinc/81/21/11/1403812111.db2.gz ZWHQJYGYEMMJGX-UHFFFAOYSA-N 0 1 392.455 3.331 20 0 GGADMN CC(=O)N[C@@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000043752879 1403812272 /nfs/dbraw/zinc/81/22/72/1403812272.db2.gz UKGQXSKGBVSUEI-HXUWFJFHSA-N 0 1 391.943 3.116 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000043787728 1403817077 /nfs/dbraw/zinc/81/70/77/1403817077.db2.gz UXWKVBLDZYECON-QZTJIDSGSA-N 0 1 385.512 3.110 20 0 GGADMN CN(C)[C@H](CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1cccc(F)c1 ZINC000056554123 1407359347 /nfs/dbraw/zinc/35/93/47/1407359347.db2.gz AHTPWLDCBYKYBW-VQTJNVASSA-N 0 1 389.471 3.412 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccs1 ZINC000043797737 1403818898 /nfs/dbraw/zinc/81/88/98/1403818898.db2.gz KIGMPDPOZXGJLC-KRWDZBQOSA-N 0 1 386.521 3.409 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000043799411 1403819131 /nfs/dbraw/zinc/81/91/31/1403819131.db2.gz VPVKCEAZXWBBSC-UHFFFAOYSA-N 0 1 395.532 3.412 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc(F)c1 ZINC000043797693 1403819199 /nfs/dbraw/zinc/81/91/99/1403819199.db2.gz IUZNXGAPDNIVMJ-HXUWFJFHSA-N 0 1 398.482 3.486 20 0 GGADMN CCOCc1ccc(CNC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000043799832 1403819647 /nfs/dbraw/zinc/81/96/47/1403819647.db2.gz CMBMCHJICIWFQN-UHFFFAOYSA-N 0 1 382.508 3.297 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043800547 1403819727 /nfs/dbraw/zinc/81/97/27/1403819727.db2.gz YMMFVELUMWRKFC-UHFFFAOYSA-N 0 1 396.491 3.221 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCc2coc(-c3cccs3)n2)CC1 ZINC000043800276 1403819772 /nfs/dbraw/zinc/81/97/72/1403819772.db2.gz LFRVRCOPWBXBKX-UHFFFAOYSA-N 0 1 397.504 3.477 20 0 GGADMN CCOCc1ccccc1CNC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043799829 1403819824 /nfs/dbraw/zinc/81/98/24/1403819824.db2.gz SCBGTSGVNLPCMA-UHFFFAOYSA-N 0 1 382.508 3.297 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000043800583 1403819969 /nfs/dbraw/zinc/81/99/69/1403819969.db2.gz RENCFAOXGAQFJJ-UHFFFAOYSA-N 0 1 390.434 3.362 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2N2CCN(C)CC2)c(OC)c1 ZINC000043799865 1403819978 /nfs/dbraw/zinc/81/99/78/1403819978.db2.gz ZTCQYGTYDZLRPG-MRXNPFEDSA-N 0 1 398.507 3.338 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)N1CCOCC1 ZINC000043806850 1403820435 /nfs/dbraw/zinc/82/04/35/1403820435.db2.gz VKNQQYHKGVSLGL-JOCHJYFZSA-N 0 1 383.536 3.273 20 0 GGADMN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCCN(Cc2ccccc2)CC1 ZINC000043809730 1403821008 /nfs/dbraw/zinc/82/10/08/1403821008.db2.gz LACUZCUWHKETKS-UHFFFAOYSA-N 0 1 386.879 3.459 20 0 GGADMN Cc1nn(C)c2nc(C)cc(C(=O)N3CCCN(Cc4ccc(C)cc4)CC3)c12 ZINC000043810484 1403821095 /nfs/dbraw/zinc/82/10/95/1403821095.db2.gz MODXKIRAEBDTGN-UHFFFAOYSA-N 0 1 391.519 3.242 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(Cc2ccco2)Cc2cccs2)C1 ZINC000043822115 1403821944 /nfs/dbraw/zinc/82/19/44/1403821944.db2.gz OIPKBTJEXGSQFZ-SFHVURJKSA-N 0 1 391.537 3.410 20 0 GGADMN CCN(CC)CCN(CC(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000043829180 1403824514 /nfs/dbraw/zinc/82/45/14/1403824514.db2.gz CCNHONWHBFGGKB-UHFFFAOYSA-N 0 1 383.558 3.230 20 0 GGADMN COCCOC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000043830701 1403824801 /nfs/dbraw/zinc/82/48/01/1403824801.db2.gz CQTVVOWXAZKUBB-UHFFFAOYSA-N 0 1 387.816 3.083 20 0 GGADMN Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)N[C@H](C)C3CC3)cc12 ZINC000043842912 1403828613 /nfs/dbraw/zinc/82/86/13/1403828613.db2.gz LUFALQMKYRNVBO-LLVKDONJSA-N 0 1 383.477 3.138 20 0 GGADMN C[C@@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000043843015 1403828752 /nfs/dbraw/zinc/82/87/52/1403828752.db2.gz PPVWFTAMWOLFIJ-OAHLLOKOSA-N 0 1 389.459 3.282 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(F)c1 ZINC000043847828 1403829983 /nfs/dbraw/zinc/82/99/83/1403829983.db2.gz JEROJKZRFKZOBX-IBGZPJMESA-N 0 1 384.455 3.377 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000043850533 1403830638 /nfs/dbraw/zinc/83/06/38/1403830638.db2.gz MOGVBWAACAJQNN-CALCHBBNSA-N 0 1 397.523 3.371 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1N1CCCC1=O ZINC000043853189 1403832205 /nfs/dbraw/zinc/83/22/05/1403832205.db2.gz JJCZUIRKHAMCBT-SFHVURJKSA-N 0 1 382.464 3.365 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1nnc(C)s1)N1CCCCC1 ZINC000056557238 1407360415 /nfs/dbraw/zinc/36/04/15/1407360415.db2.gz LQANMHHVVYMXBX-OAHLLOKOSA-N 0 1 375.498 3.204 20 0 GGADMN C[C@@H]1Oc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2NC1=O ZINC000043872798 1403837688 /nfs/dbraw/zinc/83/76/88/1403837688.db2.gz IZPDBWNKFODXIJ-YOEHRIQHSA-N 0 1 398.463 3.348 20 0 GGADMN C[C@H]1Oc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2NC1=O ZINC000043872796 1403837729 /nfs/dbraw/zinc/83/77/29/1403837729.db2.gz IZPDBWNKFODXIJ-PBHICJAKSA-N 0 1 398.463 3.348 20 0 GGADMN CC(=O)Nc1cccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1 ZINC000043876529 1403839728 /nfs/dbraw/zinc/83/97/28/1403839728.db2.gz MKYNJYSBLSGMSE-UHFFFAOYSA-N 0 1 395.507 3.027 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)N1CCc2ccccc2C1 ZINC000043916397 1403844103 /nfs/dbraw/zinc/84/41/03/1403844103.db2.gz IWVQCSRZEMYBLW-MRXNPFEDSA-N 0 1 392.503 3.147 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccccc2OCC(F)(F)F)C[C@H](C)O1 ZINC000043959030 1403853019 /nfs/dbraw/zinc/85/30/19/1403853019.db2.gz UATCCUBNEBCLKJ-OKILXGFUSA-N 0 1 389.418 3.249 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CCCOC2)CC1 ZINC000056560840 1407362183 /nfs/dbraw/zinc/36/21/83/1407362183.db2.gz STFGOQKSALIOIJ-HNNXBMFYSA-N 0 1 380.920 3.030 20 0 GGADMN O=CN1CCc2cc(C(=O)CSc3n[nH]c(CCC4CCCC4)n3)ccc21 ZINC000044030883 1403862931 /nfs/dbraw/zinc/86/29/31/1403862931.db2.gz MGZYPDPLCFYNEX-UHFFFAOYSA-N 0 1 384.505 3.421 20 0 GGADMN O=CN1CCc2cc(C(=O)CSc3nc(CCC4CCCC4)n[nH]3)ccc21 ZINC000044030883 1403862933 /nfs/dbraw/zinc/86/29/33/1403862933.db2.gz MGZYPDPLCFYNEX-UHFFFAOYSA-N 0 1 384.505 3.421 20 0 GGADMN COc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1NC(C)=O ZINC000044036506 1403865469 /nfs/dbraw/zinc/86/54/69/1403865469.db2.gz GIAHRQNMVKHDMX-HNNXBMFYSA-N 0 1 376.482 3.140 20 0 GGADMN COC(=O)c1ccc(CN2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000044088559 1403873605 /nfs/dbraw/zinc/87/36/05/1403873605.db2.gz GYEGUUHFARMGJI-UHFFFAOYSA-N 0 1 375.472 3.339 20 0 GGADMN CCC(CC)[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000044105250 1403876391 /nfs/dbraw/zinc/87/63/91/1403876391.db2.gz WKVLEVBXUQQVLW-QGZVFWFLSA-N 0 1 380.514 3.018 20 0 GGADMN CCC(CC)[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000044105253 1403876458 /nfs/dbraw/zinc/87/64/58/1403876458.db2.gz WKVLEVBXUQQVLW-KRWDZBQOSA-N 0 1 380.514 3.018 20 0 GGADMN CC(C)NC(=S)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044132350 1403881255 /nfs/dbraw/zinc/88/12/55/1403881255.db2.gz HPOGDCINRBOINW-UHFFFAOYSA-N 0 1 388.503 3.090 20 0 GGADMN CCCNC(=S)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044132340 1403881321 /nfs/dbraw/zinc/88/13/21/1403881321.db2.gz NBHIXDPVFGVZLN-UHFFFAOYSA-N 0 1 388.503 3.092 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000044141092 1403882869 /nfs/dbraw/zinc/88/28/69/1403882869.db2.gz CBGNZRQTOLVVFE-GOSISDBHSA-N 0 1 386.521 3.409 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000044141413 1403883491 /nfs/dbraw/zinc/88/34/91/1403883491.db2.gz SNJQBAWKNBFYRY-FQEVSTJZSA-N 0 1 398.482 3.486 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000044149829 1403886943 /nfs/dbraw/zinc/88/69/43/1403886943.db2.gz SKCXEWQHQQVKMU-IBGZPJMESA-N 0 1 398.507 3.305 20 0 GGADMN Cc1c(Cl)cccc1NC(=S)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000044153762 1403889839 /nfs/dbraw/zinc/88/98/39/1403889839.db2.gz WPKXERBSUUFQSI-UHFFFAOYSA-N 0 1 389.956 3.282 20 0 GGADMN CCCC[C@@H](CC)CNC(=S)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000044153716 1403889918 /nfs/dbraw/zinc/88/99/18/1403889918.db2.gz PZUJQBPEJFMKCE-QGZVFWFLSA-N 0 1 377.602 3.014 20 0 GGADMN COc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1OCc1ccncc1 ZINC000044208232 1403900155 /nfs/dbraw/zinc/90/01/55/1403900155.db2.gz MAMWDUPKGFSRIC-UHFFFAOYSA-N 0 1 398.507 3.475 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N1CCc2ccccc2C1 ZINC000044247450 1403907707 /nfs/dbraw/zinc/90/77/07/1403907707.db2.gz JTKBUIPXKGRMCF-GOSISDBHSA-N 0 1 389.503 3.500 20 0 GGADMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc2c[nH]nc21 ZINC000044249768 1403908583 /nfs/dbraw/zinc/90/85/83/1403908583.db2.gz LZQWNDXKXVVPAG-UHFFFAOYSA-N 0 1 390.365 3.471 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000044359903 1403924720 /nfs/dbraw/zinc/92/47/20/1403924720.db2.gz SZFSBMRQDMNSME-SFHVURJKSA-N 0 1 388.537 3.318 20 0 GGADMN COc1cccc([C@@H](CNC(=O)COc2ccc(F)c(Cl)c2)N(C)C)c1 ZINC000044376445 1403926296 /nfs/dbraw/zinc/92/62/96/1403926296.db2.gz XMZGPVLVMLEFLC-GOSISDBHSA-N 0 1 380.847 3.286 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)c1cccc(OCc2cccnc2)c1 ZINC000044479311 1403937317 /nfs/dbraw/zinc/93/73/17/1403937317.db2.gz CMOLUZJMVRMDGZ-UHFFFAOYSA-N 0 1 387.483 3.449 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O ZINC000044516472 1403942642 /nfs/dbraw/zinc/94/26/42/1403942642.db2.gz QRFYKHTWEKVVGF-NXHRZFHOSA-N 0 1 385.533 3.077 20 0 GGADMN C[C@@H](COc1ccccc1F)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000056582980 1407369616 /nfs/dbraw/zinc/36/96/16/1407369616.db2.gz VCRSPZBODXMSHH-INIZCTEOSA-N 0 1 386.471 3.167 20 0 GGADMN Cc1nc2ccc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)cc2[nH]1 ZINC000044685940 1403983172 /nfs/dbraw/zinc/98/31/72/1403983172.db2.gz ANQWDEMLYQMAIA-UHFFFAOYSA-N 0 1 380.429 3.319 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1=O ZINC000044714859 1403989671 /nfs/dbraw/zinc/98/96/71/1403989671.db2.gz OCORJFYTFLSOOF-HOJAQTOUSA-N 0 1 395.503 3.142 20 0 GGADMN CCCN(CCC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000044756834 1403995724 /nfs/dbraw/zinc/99/57/24/1403995724.db2.gz WGCSITMTPPXROY-KRWDZBQOSA-N 0 1 382.302 3.296 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000044803479 1404004411 /nfs/dbraw/zinc/00/44/11/1404004411.db2.gz MCWLBTFXOOISQK-QWHCGFSZSA-N 0 1 391.418 3.325 20 0 GGADMN COc1ccc(NC(=O)[C@H](NCCCNC(C)=O)c2ccccc2)cc1Cl ZINC000044807324 1404005247 /nfs/dbraw/zinc/00/52/47/1404005247.db2.gz ZQQQMSJHIUGJMK-LJQANCHMSA-N 0 1 389.883 3.144 20 0 GGADMN CC(C)c1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000044828388 1404007622 /nfs/dbraw/zinc/00/76/22/1404007622.db2.gz IUIKAYVYYHYVJP-LJQANCHMSA-N 0 1 380.444 3.272 20 0 GGADMN CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000044828388 1404007629 /nfs/dbraw/zinc/00/76/29/1404007629.db2.gz IUIKAYVYYHYVJP-LJQANCHMSA-N 0 1 380.444 3.272 20 0 GGADMN COC(=O)c1cccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000044836159 1404009096 /nfs/dbraw/zinc/00/90/96/1404009096.db2.gz ZOKXOIACTARISJ-FQEVSTJZSA-N 0 1 382.460 3.049 20 0 GGADMN C[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000044835004 1404009575 /nfs/dbraw/zinc/00/95/75/1404009575.db2.gz FJTCLCRLUUZSCQ-KXBFYZLASA-N 0 1 391.943 3.288 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(Cn2ccnc2)c1 ZINC000044852464 1404012556 /nfs/dbraw/zinc/01/25/56/1404012556.db2.gz XEYLGPLTJJVVMZ-FQEVSTJZSA-N 0 1 378.476 3.481 20 0 GGADMN COc1ccc(COCC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000044870092 1404014352 /nfs/dbraw/zinc/01/43/52/1404014352.db2.gz WYMJYPRUEISTSY-NRFANRHFSA-N 0 1 398.503 3.174 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(C#N)c2)CC1 ZINC000044881751 1404016307 /nfs/dbraw/zinc/01/63/07/1404016307.db2.gz QFIRVZFXFXQFGF-UHFFFAOYSA-N 0 1 398.894 3.371 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000044879675 1404016497 /nfs/dbraw/zinc/01/64/97/1404016497.db2.gz MENNPBTUXQAGEU-OALUTQOASA-N 0 1 397.485 3.289 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000045014405 1404038339 /nfs/dbraw/zinc/03/83/39/1404038339.db2.gz NFLHMBAWCVVTEL-UHFFFAOYSA-N 0 1 397.485 3.304 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)[nH]n1 ZINC000045019562 1404038661 /nfs/dbraw/zinc/03/86/61/1404038661.db2.gz TUUUPQRHZYDOJN-UHFFFAOYSA-N 0 1 378.388 3.059 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1ccc(OC(F)F)cc1 ZINC000045042354 1404043381 /nfs/dbraw/zinc/04/33/81/1404043381.db2.gz CIRAAEIPGBJNKN-UHFFFAOYSA-N 0 1 375.419 3.146 20 0 GGADMN Cc1cc(C(=O)N=c2[nH]c(CN3CCC[C@@H](C)C3)cs2)nn1C(C)(C)C ZINC000045044330 1404043883 /nfs/dbraw/zinc/04/38/83/1404043883.db2.gz PXKTVODDWIOAPY-CYBMUJFWSA-N 0 1 375.542 3.309 20 0 GGADMN Cc1cc(C(=O)N=c2[nH]c(CN3CCC[C@H](C)C3)cs2)nn1C(C)(C)C ZINC000045044328 1404044061 /nfs/dbraw/zinc/04/40/61/1404044061.db2.gz PXKTVODDWIOAPY-ZDUSSCGKSA-N 0 1 375.542 3.309 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccc(N(C)c3ccccc3)nc2)C[C@H](C)O1 ZINC000045064914 1404047821 /nfs/dbraw/zinc/04/78/21/1404047821.db2.gz KNOHLDWMQOUFGG-ROUUACIJSA-N 0 1 382.508 3.079 20 0 GGADMN Cc1sc2ncnc(SCC(=O)N3CCN(C4CCCC4)CC3)c2c1C ZINC000045083670 1404050735 /nfs/dbraw/zinc/05/07/35/1404050735.db2.gz QAUNGHYSNBIVMP-UHFFFAOYSA-N 0 1 390.578 3.487 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000045084650 1404051522 /nfs/dbraw/zinc/05/15/22/1404051522.db2.gz GVTCMEZRVFHDQG-UHFFFAOYSA-N 0 1 399.564 3.393 20 0 GGADMN CCOc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1cccnc1 ZINC000045112204 1404055288 /nfs/dbraw/zinc/05/52/88/1404055288.db2.gz LNEAUWDBRGATGM-UHFFFAOYSA-N 0 1 397.519 3.473 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045120351 1404057101 /nfs/dbraw/zinc/05/71/01/1404057101.db2.gz NLNATIFCUBIJCB-QGZVFWFLSA-N 0 1 382.508 3.423 20 0 GGADMN CCN(CCCNC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000045126908 1404059212 /nfs/dbraw/zinc/05/92/12/1404059212.db2.gz PDAPODWKCOWUDM-UHFFFAOYSA-N 0 1 395.551 3.262 20 0 GGADMN CC(C)[C@@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000045150249 1404063605 /nfs/dbraw/zinc/06/36/05/1404063605.db2.gz VIXJJECJPAECRS-FGZHOGPDSA-N 0 1 381.520 3.102 20 0 GGADMN CC(C)[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC000045151094 1404064077 /nfs/dbraw/zinc/06/40/77/1404064077.db2.gz KSLNJUHGBNXYDN-OAQYLSRUSA-N 0 1 399.514 3.169 20 0 GGADMN CC(C)[C@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000045151566 1404064126 /nfs/dbraw/zinc/06/41/26/1404064126.db2.gz VEPFAOCMSYDTIS-YADHBBJMSA-N 0 1 399.510 3.241 20 0 GGADMN CCN(C[C@@H]1CCOC1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182315 1404069238 /nfs/dbraw/zinc/06/92/38/1404069238.db2.gz DOIARLPPJRTEBW-KRWDZBQOSA-N 0 1 379.932 3.372 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCCc1cn[nH]c1C ZINC000045188540 1404071032 /nfs/dbraw/zinc/07/10/32/1404071032.db2.gz CEEGPOIQYKTTBK-UHFFFAOYSA-N 0 1 380.496 3.012 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000056610665 1407377862 /nfs/dbraw/zinc/37/78/62/1407377862.db2.gz NHPXTDWXNMHKRN-NRFANRHFSA-N 0 1 398.507 3.030 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)N[C@@H](C)c3nnc4ccccn43)CC2)cc1 ZINC000045252682 1404085134 /nfs/dbraw/zinc/08/51/34/1404085134.db2.gz IQLAMESQDNBLGJ-SFHVURJKSA-N 0 1 392.507 3.016 20 0 GGADMN COc1ccc([C@@H](CNC(=O)CCOCC(F)(F)F)N2CCCCC2)cc1 ZINC000045281587 1404090466 /nfs/dbraw/zinc/09/04/66/1404090466.db2.gz SYSFZWQOQKINKF-QGZVFWFLSA-N 0 1 388.430 3.307 20 0 GGADMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000045310613 1404096269 /nfs/dbraw/zinc/09/62/69/1404096269.db2.gz CIVHADLSIALSMP-LBPRGKRZSA-N 0 1 390.403 3.367 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000045378953 1404109714 /nfs/dbraw/zinc/10/97/14/1404109714.db2.gz SGIMRTCJWKMXDM-UHFFFAOYSA-N 0 1 384.402 3.229 20 0 GGADMN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(C(C)C)CC2)cc1 ZINC000045429384 1404120178 /nfs/dbraw/zinc/12/01/78/1404120178.db2.gz NPECVTUTYXRDRH-UHFFFAOYSA-N 0 1 391.519 3.263 20 0 GGADMN CC(C)Cn1nc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c2ccccc2c1=O ZINC000045443808 1404122421 /nfs/dbraw/zinc/12/24/21/1404122421.db2.gz OXQMXJNRBUBZLL-SFHVURJKSA-N 0 1 398.532 3.147 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1=O ZINC000045443927 1404122533 /nfs/dbraw/zinc/12/25/33/1404122533.db2.gz IAQOWXPYGQWVIL-LZQZEXGQSA-N 0 1 385.533 3.077 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)CC3 ZINC000045454952 1404124499 /nfs/dbraw/zinc/12/44/99/1404124499.db2.gz FLQSVWMGXIFWBL-IAGOWNOFSA-N 0 1 384.524 3.043 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NNc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000045454682 1404124616 /nfs/dbraw/zinc/12/46/16/1404124616.db2.gz ZZQBDZJVFGUVRE-TXEJJXNPSA-N 0 1 375.300 3.119 20 0 GGADMN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000045454731 1404124891 /nfs/dbraw/zinc/12/48/91/1404124891.db2.gz MYHFXNKHQDMZBQ-XHSDSOJGSA-N 0 1 390.553 3.498 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045456091 1404125319 /nfs/dbraw/zinc/12/53/19/1404125319.db2.gz RWHXLTZZHALLFQ-UEXGIBASSA-N 0 1 389.540 3.431 20 0 GGADMN Cc1nc(CSCC(=O)NC[C@H](C)N2CCc3ccccc3C2)cs1 ZINC000045465136 1404127142 /nfs/dbraw/zinc/12/71/42/1404127142.db2.gz JFXBLLQVWNQFDR-AWEZNQCLSA-N 0 1 375.563 3.248 20 0 GGADMN CC(C)[C@H](CNC(=O)NC1CCN(Cc2ccccn2)CC1)Nc1ccccc1 ZINC000045483093 1404129079 /nfs/dbraw/zinc/12/90/79/1404129079.db2.gz IIYBCPDONPJLPA-QFIPXVFZSA-N 0 1 395.551 3.482 20 0 GGADMN CC(C)N1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000045522224 1404137939 /nfs/dbraw/zinc/13/79/39/1404137939.db2.gz ZRBNYLKWUHYADG-UHFFFAOYSA-N 0 1 375.563 3.494 20 0 GGADMN CCOc1cc(NC(=O)NC[C@H](C(CC)CC)N2CCOCC2)ccc1OC ZINC000045526130 1404138549 /nfs/dbraw/zinc/13/85/49/1404138549.db2.gz CFLBWOPCXGTTCA-GOSISDBHSA-N 0 1 393.528 3.352 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCc3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC000045528439 1404139559 /nfs/dbraw/zinc/13/95/59/1404139559.db2.gz MVPGDPOVXYXKAH-CALCHBBNSA-N 0 1 383.492 3.001 20 0 GGADMN CCOc1cc(CN(C)C(=O)NCCCc2cn[nH]c2C)ccc1OC(F)F ZINC000045539357 1404142812 /nfs/dbraw/zinc/14/28/12/1404142812.db2.gz RMUVDEMTUXXSRJ-UHFFFAOYSA-N 0 1 396.438 3.492 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccccc1Cn1cccn1)c1ccsc1 ZINC000045541247 1404144133 /nfs/dbraw/zinc/14/41/33/1404144133.db2.gz TVAFRABTBDWFRQ-LJQANCHMSA-N 0 1 383.521 3.095 20 0 GGADMN O=C(NCCNc1ccccn1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045571664 1404149156 /nfs/dbraw/zinc/14/91/56/1404149156.db2.gz XAVMTVPSPCMSLE-UHFFFAOYSA-N 0 1 387.915 3.111 20 0 GGADMN CCN(CC)C(=O)c1ccccc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000056624121 1407383689 /nfs/dbraw/zinc/38/36/89/1407383689.db2.gz DZALCRVCEMBZET-UHFFFAOYSA-N 0 1 394.519 3.348 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000056624146 1407383827 /nfs/dbraw/zinc/38/38/27/1407383827.db2.gz IULCOFDIYCENJB-NRFANRHFSA-N 0 1 383.492 3.029 20 0 GGADMN COC(=O)C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccc(C)cc1 ZINC000045581962 1404152978 /nfs/dbraw/zinc/15/29/78/1404152978.db2.gz WETRPMIQSBSAOI-ZWKOTPCHSA-N 0 1 389.521 3.263 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000045610250 1404160254 /nfs/dbraw/zinc/16/02/54/1404160254.db2.gz XMKOZSJDDGSTGO-SFHVURJKSA-N 0 1 383.521 3.078 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000045609994 1404160335 /nfs/dbraw/zinc/16/03/35/1404160335.db2.gz HAHKNNDJPXUICV-LJQANCHMSA-N 0 1 383.521 3.078 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccsc1 ZINC000045609992 1404160520 /nfs/dbraw/zinc/16/05/20/1404160520.db2.gz HAHKNNDJPXUICV-IBGZPJMESA-N 0 1 383.521 3.078 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H](C)Sc1nncn1C)c1ccccc1Cl ZINC000045617692 1404163555 /nfs/dbraw/zinc/16/35/55/1404163555.db2.gz MRZHIXISHFNSFB-BBRMVZONSA-N 0 1 395.960 3.148 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000045633057 1404165658 /nfs/dbraw/zinc/16/56/58/1404165658.db2.gz SIXRWYPBVPSGBI-GASCZTMLSA-N 0 1 387.446 3.346 20 0 GGADMN Cc1nc(-c2ccc(CNC(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)o2)cs1 ZINC000045633963 1404166477 /nfs/dbraw/zinc/16/64/77/1404166477.db2.gz PYJJJWZNMMCNTF-OKILXGFUSA-N 0 1 392.525 3.010 20 0 GGADMN COc1cc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000045635826 1404167232 /nfs/dbraw/zinc/16/72/32/1404167232.db2.gz GTCKEMFLVQZRLB-UHFFFAOYSA-N 0 1 388.899 3.207 20 0 GGADMN COc1cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1OC1CCCC1 ZINC000045639387 1404168138 /nfs/dbraw/zinc/16/81/38/1404168138.db2.gz WWFXDDWTFCJSIZ-LJQANCHMSA-N 0 1 390.524 3.103 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000045658713 1404170864 /nfs/dbraw/zinc/17/08/64/1404170864.db2.gz CENQHRXOBRTYGV-DNVCBOLYSA-N 0 1 398.536 3.334 20 0 GGADMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000045658711 1404171168 /nfs/dbraw/zinc/17/11/68/1404171168.db2.gz CENQHRXOBRTYGV-HNAYVOBHSA-N 0 1 398.536 3.334 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccsc1 ZINC000045658857 1404171648 /nfs/dbraw/zinc/17/16/48/1404171648.db2.gz LBDRLTPNIUQIHC-GOSISDBHSA-N 0 1 376.501 3.022 20 0 GGADMN O=C1Nc2c(c(Cl)ccc2F)C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000045686925 1404177638 /nfs/dbraw/zinc/17/76/38/1404177638.db2.gz HPCRZLTZQIPOOT-UHFFFAOYSA-N 0 1 379.691 3.064 20 0 GGADMN COc1ccc2c(c1)CCCN2C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000045690444 1404179296 /nfs/dbraw/zinc/17/92/96/1404179296.db2.gz XQGNXOSDAHMBPC-UHFFFAOYSA-N 0 1 380.492 3.432 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(Cl)c(C(N)=O)c1)N1CCc2ccccc2C1 ZINC000045701031 1404180957 /nfs/dbraw/zinc/18/09/57/1404180957.db2.gz FTGWPQGEMLDGLT-ZDUSSCGKSA-N 0 1 386.883 3.007 20 0 GGADMN NC(=O)c1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1Cl ZINC000045705793 1404182575 /nfs/dbraw/zinc/18/25/75/1404182575.db2.gz JUYKBZCPMTYNAL-INIZCTEOSA-N 0 1 390.871 3.381 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1cccc(F)c1 ZINC000045705425 1404182700 /nfs/dbraw/zinc/18/27/00/1404182700.db2.gz PWNHUKOZUBUAQT-INIZCTEOSA-N 0 1 378.835 3.002 20 0 GGADMN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccccc1OC ZINC000045712837 1404183392 /nfs/dbraw/zinc/18/33/92/1404183392.db2.gz UDSPLWLXCKINJP-UHFFFAOYSA-N 0 1 378.450 3.105 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc2c(c1)OCCO2)N1CCc2ccccc2C1 ZINC000045712187 1404183723 /nfs/dbraw/zinc/18/37/23/1404183723.db2.gz IABHYSQXBRIVBV-OAHLLOKOSA-N 0 1 383.517 3.191 20 0 GGADMN CN1CCN(c2ccc(NC(=O)COc3ccccc3C(F)(F)F)cc2)CC1 ZINC000045714348 1404184661 /nfs/dbraw/zinc/18/46/61/1404184661.db2.gz ZSNQPIMTJUVZEJ-UHFFFAOYSA-N 0 1 393.409 3.475 20 0 GGADMN CC(C)CN1CCN(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000045717273 1404185065 /nfs/dbraw/zinc/18/50/65/1404185065.db2.gz HYCGXGXCQKSZNZ-UHFFFAOYSA-N 0 1 384.480 3.015 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc(C(N)=O)cc3C)CC2)cc1 ZINC000045729971 1404187418 /nfs/dbraw/zinc/18/74/18/1404187418.db2.gz QHIQBUKHDGVRSE-UHFFFAOYSA-N 0 1 380.492 3.142 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000045738639 1404191299 /nfs/dbraw/zinc/19/12/99/1404191299.db2.gz SAJCSDHSYSSCNA-QGZVFWFLSA-N 0 1 394.519 3.395 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000045740493 1404191555 /nfs/dbraw/zinc/19/15/55/1404191555.db2.gz LNTRMANKZQKUIY-SFHVURJKSA-N 0 1 384.480 3.378 20 0 GGADMN CN(C(=O)CN1CCC2(CC1)OCCO2)C(c1ccccc1)c1ccccc1 ZINC000045749173 1404194221 /nfs/dbraw/zinc/19/42/21/1404194221.db2.gz BWIWZDIQTQFCGZ-UHFFFAOYSA-N 0 1 380.488 3.073 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1Cl ZINC000045749119 1404194371 /nfs/dbraw/zinc/19/43/71/1404194371.db2.gz FWJRNZCFPAWHSE-STQMWFEESA-N 0 1 387.307 3.398 20 0 GGADMN COc1ccc(CN(C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1F ZINC000045754570 1404194799 /nfs/dbraw/zinc/19/47/99/1404194799.db2.gz IMOUMIFTSIDXPU-UHFFFAOYSA-N 0 1 386.471 3.035 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045754425 1404194895 /nfs/dbraw/zinc/19/48/95/1404194895.db2.gz PYMFCMKJRDJFNL-UHFFFAOYSA-N 0 1 388.899 3.207 20 0 GGADMN CCCOCc1ccccc1CNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045755457 1404195089 /nfs/dbraw/zinc/19/50/89/1404195089.db2.gz PHIGBVYSCUCURC-UHFFFAOYSA-N 0 1 396.535 3.472 20 0 GGADMN CCOC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000045756029 1404196166 /nfs/dbraw/zinc/19/61/66/1404196166.db2.gz WUEAFUOLPAIELQ-UHFFFAOYSA-N 0 1 382.464 3.044 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCCc3cccc(OC)c3)CC2)cc1 ZINC000045758129 1404196532 /nfs/dbraw/zinc/19/65/32/1404196532.db2.gz HIPPKUQFDSWMSR-UHFFFAOYSA-N 0 1 397.519 3.164 20 0 GGADMN COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(C3CCCC3)CC2)c1C ZINC000045770505 1404199958 /nfs/dbraw/zinc/19/99/58/1404199958.db2.gz KPVCQJQHIFRHFD-ALDSOSFCSA-N 0 1 398.551 3.306 20 0 GGADMN CCOC(=O)C1C(COC(=O)[C@H](C)CC)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000045779625 1404201680 /nfs/dbraw/zinc/20/16/80/1404201680.db2.gz BZAQNSHUSUMBAS-BDJLRTHQSA-N 0 1 394.855 3.100 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000045803763 1404209133 /nfs/dbraw/zinc/20/91/33/1404209133.db2.gz CHXPGXHJOOMHSQ-LJQANCHMSA-N 0 1 379.589 3.098 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000045804151 1404209730 /nfs/dbraw/zinc/20/97/30/1404209730.db2.gz OPYHJZQQTOYZIT-CEXWTWQISA-N 0 1 385.552 3.223 20 0 GGADMN C[C@H](NCc1ccccc1CN1CCCC1=O)C(=O)Nc1c(F)cccc1F ZINC000045812236 1404211902 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GGADMN CCOc1ccc(CN(C)C(=O)CN2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000045913924 1404241418 /nfs/dbraw/zinc/24/14/18/1404241418.db2.gz UVEIJONMGSXZNR-XMMPIXPASA-N 0 1 396.531 3.489 20 0 GGADMN COc1ccc(CN(C)C(=O)CN2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000045914175 1404241455 /nfs/dbraw/zinc/24/14/55/1404241455.db2.gz JBEOMJJWZAEFLY-QHCPKHFHSA-N 0 1 382.504 3.099 20 0 GGADMN CC(=O)c1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)n(C)c1 ZINC000045941769 1404248489 /nfs/dbraw/zinc/24/84/89/1404248489.db2.gz NQVDYUQJPCVKGA-UHFFFAOYSA-N 0 1 396.491 3.295 20 0 GGADMN CN(C)c1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cn1 ZINC000045942367 1404248821 /nfs/dbraw/zinc/24/88/21/1404248821.db2.gz IXCHMBGDBFSCNR-UHFFFAOYSA-N 0 1 395.507 3.214 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)N3CCN(CC(C)C)CC3)cn2)c1 ZINC000045987385 1404263958 /nfs/dbraw/zinc/26/39/58/1404263958.db2.gz SHYFZNGRIOZSHR-UHFFFAOYSA-N 0 1 398.507 3.366 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnc3ccccc3c2O)N2CCCC2)c1 ZINC000046024314 1404277926 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GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000047079114 1404699717 /nfs/dbraw/zinc/69/97/17/1404699717.db2.gz UBMVSAAQSHKVRL-MRXNPFEDSA-N 0 1 385.420 3.351 20 0 GGADMN CCOCCCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000047108146 1404708574 /nfs/dbraw/zinc/70/85/74/1404708574.db2.gz QKFBSHZCCNYNMA-UHFFFAOYSA-N 0 1 395.547 3.442 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1F ZINC000047213751 1404750270 /nfs/dbraw/zinc/75/02/70/1404750270.db2.gz LIJFGMYOPYXMMF-QAPCUYQASA-N 0 1 378.444 3.270 20 0 GGADMN CN(CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Cl)cn1 ZINC000047245063 1404764623 /nfs/dbraw/zinc/76/46/23/1404764623.db2.gz ZIDQIMRUOFUNBF-INIZCTEOSA-N 0 1 376.888 3.108 20 0 GGADMN CC(C)(C)[C@H](NCN1c2cc3c(cc2C(=O)C1=O)OCCO3)c1ccc(F)cc1 ZINC000047252200 1404768332 /nfs/dbraw/zinc/76/83/32/1404768332.db2.gz NBTHLAJNZCCGEJ-HXUWFJFHSA-N 0 1 398.434 3.461 20 0 GGADMN CC(C)(C)[C@@H](NCN1c2cc3c(cc2C(=O)C1=O)OCCO3)c1ccc(F)cc1 ZINC000047252202 1404768605 /nfs/dbraw/zinc/76/86/05/1404768605.db2.gz NBTHLAJNZCCGEJ-FQEVSTJZSA-N 0 1 398.434 3.461 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139089658 1425727693 /nfs/dbraw/zinc/72/76/93/1425727693.db2.gz QMCTZMPSVKOLMD-UHFFFAOYSA-N 0 1 398.511 3.232 20 0 GGADMN CC(C)N(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000047260405 1404773071 /nfs/dbraw/zinc/77/30/71/1404773071.db2.gz QYLNNJBUTURFQG-GOSISDBHSA-N 0 1 380.492 3.174 20 0 GGADMN Cc1ccnc2nc(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)nn21 ZINC000047265070 1404776867 /nfs/dbraw/zinc/77/68/67/1404776867.db2.gz GEFKJYOOQZWEQR-UHFFFAOYSA-N 0 1 387.378 3.367 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCN(CCc2ccccc2)CC1 ZINC000047279909 1404785255 /nfs/dbraw/zinc/78/52/55/1404785255.db2.gz TVOJJNWNXSVCKV-QGZVFWFLSA-N 0 1 394.544 3.484 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000047296937 1404793439 /nfs/dbraw/zinc/79/34/39/1404793439.db2.gz QAUUPFAOKZIMSG-UHFFFAOYSA-N 0 1 389.503 3.244 20 0 GGADMN COc1ccc2nc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)sc2c1 ZINC000047303723 1404797200 /nfs/dbraw/zinc/79/72/00/1404797200.db2.gz RHAQQZFGARCONQ-UHFFFAOYSA-N 0 1 396.516 3.305 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000047304556 1404797357 /nfs/dbraw/zinc/79/73/57/1404797357.db2.gz GKGOWMCOVCRNBY-QHCPKHFHSA-N 0 1 393.531 3.420 20 0 GGADMN CCOc1ccc(CN(C)C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000047302638 1404797424 /nfs/dbraw/zinc/79/74/24/1404797424.db2.gz XJYXIHBQPHDPBG-UHFFFAOYSA-N 0 1 381.520 3.105 20 0 GGADMN CC[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000047305769 1404798049 /nfs/dbraw/zinc/79/80/49/1404798049.db2.gz QXIFKAAFUHIDQH-HNNXBMFYSA-N 0 1 380.414 3.006 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCCCCOc3ccc(F)cc3)cc2)CC1 ZINC000047305541 1404798217 /nfs/dbraw/zinc/79/82/17/1404798217.db2.gz GTFLVPHXBTXKAE-UHFFFAOYSA-N 0 1 399.510 3.162 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCCCSc3ccccc3)cc2)CC1 ZINC000047305137 1404798378 /nfs/dbraw/zinc/79/83/78/1404798378.db2.gz LNXONXASZLNXAJ-UHFFFAOYSA-N 0 1 383.561 3.346 20 0 GGADMN CCCCCc1nnc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000047304838 1404798649 /nfs/dbraw/zinc/79/86/49/1404798649.db2.gz WONSGJHXYUKULM-UHFFFAOYSA-N 0 1 387.553 3.271 20 0 GGADMN O=C(Nc1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1)c1cccs1 ZINC000047343140 1404811568 /nfs/dbraw/zinc/81/15/68/1404811568.db2.gz RISJXBBZNJAPDA-UHFFFAOYSA-N 0 1 390.428 3.433 20 0 GGADMN O=C(Nc1nnc(C2CC2)s1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047347769 1404812960 /nfs/dbraw/zinc/81/29/60/1404812960.db2.gz BBPNNKRJIMEDKX-UHFFFAOYSA-N 0 1 375.473 3.341 20 0 GGADMN O=C(Nc1ccccc1N1CCCC1)NC1CCN(Cc2ccncc2)CC1 ZINC000047365679 1404817586 /nfs/dbraw/zinc/81/75/86/1404817586.db2.gz SAHBNRUGVSTTCC-UHFFFAOYSA-N 0 1 379.508 3.468 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCSC(F)(F)F ZINC000047366959 1404817627 /nfs/dbraw/zinc/81/76/27/1404817627.db2.gz GHXNAIDIYYBLPM-UHFFFAOYSA-N 0 1 376.448 3.121 20 0 GGADMN CCOCCCCNC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000047365629 1404817691 /nfs/dbraw/zinc/81/76/91/1404817691.db2.gz XIRUUACPBQLQQM-UHFFFAOYSA-N 0 1 382.936 3.420 20 0 GGADMN Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000047386879 1404822837 /nfs/dbraw/zinc/82/28/37/1404822837.db2.gz BBNNJHQLSRCNOO-UHFFFAOYSA-N 0 1 399.510 3.418 20 0 GGADMN O=C(c1ccccc1COc1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000047387169 1404822874 /nfs/dbraw/zinc/82/28/74/1404822874.db2.gz UJMZMOSBSZWSGN-UHFFFAOYSA-N 0 1 394.515 3.450 20 0 GGADMN O=C(c1cc(C2CC2)nc2ccccc21)N1CCC(CN2CCOCC2)CC1 ZINC000047387174 1404823062 /nfs/dbraw/zinc/82/30/62/1404823062.db2.gz QTUDECJNYPASQQ-UHFFFAOYSA-N 0 1 379.504 3.297 20 0 GGADMN O=C(Nc1nc(C(F)(F)F)cs1)NC1CCN(Cc2ccccn2)CC1 ZINC000047387487 1404823204 /nfs/dbraw/zinc/82/32/04/1404823204.db2.gz JKGYVEYJHCPINF-UHFFFAOYSA-N 0 1 385.415 3.343 20 0 GGADMN C[C@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000047392990 1404825261 /nfs/dbraw/zinc/82/52/61/1404825261.db2.gz ZYEHQQXBTQSWGX-HNNXBMFYSA-N 0 1 383.452 3.229 20 0 GGADMN Cc1[nH]nc2ncc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc12 ZINC000047403922 1404827147 /nfs/dbraw/zinc/82/71/47/1404827147.db2.gz SPFIYKKSAUNZTQ-UHFFFAOYSA-N 0 1 383.883 3.314 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000047400452 1404827302 /nfs/dbraw/zinc/82/73/02/1404827302.db2.gz RTQOEOKZUSXIJN-UHFFFAOYSA-N 0 1 398.482 3.314 20 0 GGADMN O=C(CN(C[C@H]1CCOC1)C1CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000047405476 1404827868 /nfs/dbraw/zinc/82/78/68/1404827868.db2.gz XTDBEHGVBGLGRJ-QGZVFWFLSA-N 0 1 393.487 3.378 20 0 GGADMN COc1ccccc1-n1cnn(CN2CCN(C)C[C@H]2c2ccccc2)c1=S ZINC000047404721 1404828293 /nfs/dbraw/zinc/82/82/93/1404828293.db2.gz BGZZJCFYIBRNGL-IBGZPJMESA-N 0 1 395.532 3.358 20 0 GGADMN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000047423125 1404832563 /nfs/dbraw/zinc/83/25/63/1404832563.db2.gz FXPXLTNTYVTXCZ-SFHVURJKSA-N 0 1 388.552 3.322 20 0 GGADMN Cc1cc(OCCCC(=O)N2CCC(CN3CCOCC3)CC2)ccc1Cl ZINC000047423050 1404832824 /nfs/dbraw/zinc/83/28/24/1404832824.db2.gz DAEAURZGILXMEO-UHFFFAOYSA-N 0 1 394.943 3.378 20 0 GGADMN CCCOc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1OCC ZINC000047422959 1404832832 /nfs/dbraw/zinc/83/28/32/1404832832.db2.gz QAJRNATUDQOLSN-UHFFFAOYSA-N 0 1 390.524 3.059 20 0 GGADMN CCCOc1c(Cl)cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000047432917 1404834626 /nfs/dbraw/zinc/83/46/26/1404834626.db2.gz HYIWSYQTYPMTSU-HUUCEWRRSA-N 0 1 398.931 3.367 20 0 GGADMN CCCOc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OCC ZINC000047432435 1404834660 /nfs/dbraw/zinc/83/46/60/1404834660.db2.gz SLFXELQQRJEPNP-CALCHBBNSA-N 0 1 378.513 3.103 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)COc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000047433250 1404834708 /nfs/dbraw/zinc/83/47/08/1404834708.db2.gz YAKLQKXTJSIWHP-RTBURBONSA-N 0 1 382.504 3.348 20 0 GGADMN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000047435015 1404835166 /nfs/dbraw/zinc/83/51/66/1404835166.db2.gz RWBHWQDZEYFFHU-ZIAGYGMSSA-N 0 1 375.444 3.018 20 0 GGADMN Cc1c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000047434953 1404835189 /nfs/dbraw/zinc/83/51/89/1404835189.db2.gz PZRKEPHNMQCFSS-GJZGRUSLSA-N 0 1 390.915 3.063 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccccc2COc2ccccc2)C[C@H](C)O1 ZINC000047434624 1404835438 /nfs/dbraw/zinc/83/54/38/1404835438.db2.gz PUAPTMHIZUVLJS-OALUTQOASA-N 0 1 382.504 3.495 20 0 GGADMN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000047473101 1404847292 /nfs/dbraw/zinc/84/72/92/1404847292.db2.gz BJQKNQNNYULSDB-UHFFFAOYSA-N 0 1 387.399 3.490 20 0 GGADMN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CCN(CC2CC2)CC1 ZINC000047503089 1404853732 /nfs/dbraw/zinc/85/37/32/1404853732.db2.gz XICSDSXVGBVXAF-UHFFFAOYSA-N 0 1 376.888 3.026 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Br)c1F ZINC001139093384 1426001565 /nfs/dbraw/zinc/00/15/65/1426001565.db2.gz RYMSHGBAMDSXGM-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Br)c1F ZINC001139093384 1426001573 /nfs/dbraw/zinc/00/15/73/1426001573.db2.gz RYMSHGBAMDSXGM-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1 ZINC000047523214 1404857713 /nfs/dbraw/zinc/85/77/13/1404857713.db2.gz OWFAVPNKMGCTIL-UHFFFAOYSA-N 0 1 382.508 3.283 20 0 GGADMN CCOC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000047523859 1404857785 /nfs/dbraw/zinc/85/77/85/1404857785.db2.gz YBYBHIBDSOIXAX-UHFFFAOYSA-N 0 1 382.464 3.044 20 0 GGADMN CC(C)n1ncc2cc(NC(=O)NC3CCN(Cc4ccncc4)CC3)cnc21 ZINC000047524532 1404857842 /nfs/dbraw/zinc/85/78/42/1404857842.db2.gz OSTXCLUBRAELDX-UHFFFAOYSA-N 0 1 393.495 3.193 20 0 GGADMN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000047523085 1404857877 /nfs/dbraw/zinc/85/78/77/1404857877.db2.gz PBNNNIZWIUYJFI-OAHLLOKOSA-N 0 1 388.899 3.201 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CSc3ccncc3)cc2)C[C@H](C)O1 ZINC000047538583 1404861793 /nfs/dbraw/zinc/86/17/93/1404861793.db2.gz QQTHQLDDASLTQY-CALCHBBNSA-N 0 1 385.533 3.099 20 0 GGADMN COc1ccc(C)cc1CC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047539302 1404861839 /nfs/dbraw/zinc/86/18/39/1404861839.db2.gz DRVCGTKTJWXLHX-OALUTQOASA-N 0 1 396.531 3.472 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc(Cl)cn3C)cc2)C[C@H](C)O1 ZINC000047539040 1404861885 /nfs/dbraw/zinc/86/18/85/1404861885.db2.gz PXTQLKXGBVTYNT-GASCZTMLSA-N 0 1 375.900 3.218 20 0 GGADMN CC(=O)c1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000047539244 1404861895 /nfs/dbraw/zinc/86/18/95/1404861895.db2.gz CLECKHCQNSTNNW-GASCZTMLSA-N 0 1 386.517 3.490 20 0 GGADMN COc1cc(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C ZINC000047538821 1404862199 /nfs/dbraw/zinc/86/21/99/1404862199.db2.gz CSNQKZHQUHYJSF-KDURUIRLSA-N 0 1 396.531 3.472 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)COc3ccccc3F)cc2)C[C@@H](C)O1 ZINC000047539542 1404862563 /nfs/dbraw/zinc/86/25/63/1404862563.db2.gz UPFYRIWBCRVHLA-IAGOWNOFSA-N 0 1 386.467 3.130 20 0 GGADMN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000047553059 1404866027 /nfs/dbraw/zinc/86/60/27/1404866027.db2.gz XKDKUMDILGTLRV-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN O=C(Nc1cccc(-n2cccn2)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000047552266 1404866123 /nfs/dbraw/zinc/86/61/23/1404866123.db2.gz ZRMAWHXRLRQYIO-UHFFFAOYSA-N 0 1 376.464 3.053 20 0 GGADMN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1OC ZINC000047553425 1404866427 /nfs/dbraw/zinc/86/64/27/1404866427.db2.gz BBSKFBQEUAKPQT-UHFFFAOYSA-N 0 1 398.507 3.273 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000047561995 1404868436 /nfs/dbraw/zinc/86/84/36/1404868436.db2.gz JDZOSSMRLQZKFO-UHFFFAOYSA-N 0 1 394.519 3.485 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=S)NCc3ccccc3)cc2)C[C@H](C)O1 ZINC000047567448 1404869096 /nfs/dbraw/zinc/86/90/96/1404869096.db2.gz BUDAMFPWGSVHHG-HDICACEKSA-N 0 1 383.561 3.460 20 0 GGADMN CC(C)(C)NC(=O)c1cccc(NC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000047587292 1404873600 /nfs/dbraw/zinc/87/36/00/1404873600.db2.gz XBIPIGVVLACZJG-UHFFFAOYSA-N 0 1 394.519 3.395 20 0 GGADMN Cc1noc2ncc(C(=O)NCc3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)cc12 ZINC000047588648 1404874244 /nfs/dbraw/zinc/87/42/44/1404874244.db2.gz ODCZTFJWPYIVMO-HUUCEWRRSA-N 0 1 394.475 3.070 20 0 GGADMN COCCOCc1cccc(NC(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000047590585 1404874287 /nfs/dbraw/zinc/87/42/87/1404874287.db2.gz WAOSUVDYWUNGGT-UHFFFAOYSA-N 0 1 398.507 3.245 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C[C@@H](C)O1 ZINC000047588551 1404874379 /nfs/dbraw/zinc/87/43/79/1404874379.db2.gz XFXZRMSNELJDJA-IAGOWNOFSA-N 0 1 393.487 3.296 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000047590323 1404874417 /nfs/dbraw/zinc/87/44/17/1404874417.db2.gz KGTFTASBSNDIFR-LJQANCHMSA-N 0 1 387.480 3.401 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C[C@H](C)O1 ZINC000047588547 1404874477 /nfs/dbraw/zinc/87/44/77/1404874477.db2.gz XFXZRMSNELJDJA-CALCHBBNSA-N 0 1 393.487 3.296 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCCn1ccnc1)c1ccccc1Cl ZINC000047597329 1404876237 /nfs/dbraw/zinc/87/62/37/1404876237.db2.gz GOBUDFXOTSUCEV-SFHVURJKSA-N 0 1 377.920 3.309 20 0 GGADMN O=C(NCCCn1ccnc1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000047597211 1404876370 /nfs/dbraw/zinc/87/63/70/1404876370.db2.gz WILBSQJZIRTCEK-GOSISDBHSA-N 0 1 375.904 3.063 20 0 GGADMN COCCOCc1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000047598763 1404876490 /nfs/dbraw/zinc/87/64/90/1404876490.db2.gz CDOXYOBKLCRJDD-UHFFFAOYSA-N 0 1 398.507 3.031 20 0 GGADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1OC ZINC000047608870 1404878366 /nfs/dbraw/zinc/87/83/66/1404878366.db2.gz NYPRWVHIEKEXRR-GJZGRUSLSA-N 0 1 391.512 3.292 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)ccc1OCC(C)C ZINC000047609317 1404879094 /nfs/dbraw/zinc/87/90/94/1404879094.db2.gz MSSIJJRGKPAJAK-GJZGRUSLSA-N 0 1 393.528 3.393 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)C)ccc1OCC(C)C ZINC000047609349 1404879111 /nfs/dbraw/zinc/87/91/11/1404879111.db2.gz ADLQMDAAHUCSRM-GJZGRUSLSA-N 0 1 379.501 3.003 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)ccc1OCC(C)C ZINC000047609339 1404879169 /nfs/dbraw/zinc/87/91/69/1404879169.db2.gz QAIBONHSCMIOMT-JKSUJKDBSA-N 0 1 393.528 3.251 20 0 GGADMN c1csc(C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@H]2CCCO2)c1 ZINC000823762068 1426032036 /nfs/dbraw/zinc/03/20/36/1426032036.db2.gz HHCRZAVVTOMMJH-GOSISDBHSA-N 0 1 399.520 3.378 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(Cl)c2-n2cccn2)C1 ZINC000047628472 1404881849 /nfs/dbraw/zinc/88/18/49/1404881849.db2.gz RAGSWPADANBJKP-OAHLLOKOSA-N 0 1 391.903 3.004 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(Cl)c2-n2cccn2)C[C@@H](C)O1 ZINC000047629599 1404882341 /nfs/dbraw/zinc/88/23/41/1404882341.db2.gz BBIXSTRTGPGGAX-HUUCEWRRSA-N 0 1 391.903 3.147 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cccc(Cl)c2-n2cccn2)C[C@H](C)O1 ZINC000047629598 1404882410 /nfs/dbraw/zinc/88/24/10/1404882410.db2.gz BBIXSTRTGPGGAX-GJZGRUSLSA-N 0 1 391.903 3.147 20 0 GGADMN CCc1ccccc1-n1cnnc1SCC(=O)N1CCN(C2CCCC2)CC1 ZINC000047630779 1404882463 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CCOC(=O)C1CCN(C(=O)CN(Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000047958741 1405009952 /nfs/dbraw/zinc/00/99/52/1405009952.db2.gz QYHKAAKAFDABRJ-UHFFFAOYSA-N 0 1 380.916 3.352 20 0 GGADMN Cc1ccc([C@H](C)N(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000047960134 1405010174 /nfs/dbraw/zinc/01/01/74/1405010174.db2.gz ROCWZSGBELLHTG-FQEVSTJZSA-N 0 1 395.547 3.136 20 0 GGADMN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000047960131 1405010513 /nfs/dbraw/zinc/01/05/13/1405010513.db2.gz KCHSYOGMVNOXSJ-LJQANCHMSA-N 0 1 381.520 3.459 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)c1cccc2ccccc21 ZINC000047980385 1405014938 /nfs/dbraw/zinc/01/49/38/1405014938.db2.gz HJPGIVJETLQMLL-PXNSSMCTSA-N 0 1 393.531 3.255 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000047985536 1405018027 /nfs/dbraw/zinc/01/80/27/1405018027.db2.gz LVRJFWVUWDVHID-FQEVSTJZSA-N 0 1 398.482 3.451 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)COCc2nc3ccccc3s2)n1 ZINC000048011965 1405025098 /nfs/dbraw/zinc/02/50/98/1405025098.db2.gz IEQGQHOFCSGRGZ-UHFFFAOYSA-N 0 1 395.444 3.245 20 0 GGADMN CC(C)C[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000048046174 1405031421 /nfs/dbraw/zinc/03/14/21/1405031421.db2.gz XZBMSOLDBVVGST-OAQYLSRUSA-N 0 1 395.551 3.420 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CCN(C)CC(=O)N(C)C1CCCCC1 ZINC000048045755 1405031754 /nfs/dbraw/zinc/03/17/54/1405031754.db2.gz CIORQFGHPCTULC-UHFFFAOYSA-N 0 1 395.931 3.400 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046521 1405032226 /nfs/dbraw/zinc/03/22/26/1405032226.db2.gz SGFVOOYJGRUYRJ-OALUTQOASA-N 0 1 385.552 3.177 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046636 1405032297 /nfs/dbraw/zinc/03/22/97/1405032297.db2.gz DRHNHCKBSRFZBO-CEXWTWQISA-N 0 1 397.563 3.323 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048047107 1405032988 /nfs/dbraw/zinc/03/29/88/1405032988.db2.gz QGCUHGBYJYQKKC-ZWKOTPCHSA-N 0 1 377.573 3.137 20 0 GGADMN CCc1ccc(CN(C)C(=O)CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000048046665 1405033055 /nfs/dbraw/zinc/03/30/55/1405033055.db2.gz PWIFDHFSFUHBGN-LJQANCHMSA-N 0 1 399.579 3.178 20 0 GGADMN COc1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc(OC)c1OC ZINC000048051250 1405034881 /nfs/dbraw/zinc/03/48/81/1405034881.db2.gz DAPHAFNQKXFXRI-INIZCTEOSA-N 0 1 391.443 3.276 20 0 GGADMN CCN(CC(=O)N1CCc2cc(OC)c(OC)cc2C1)Cc1ccccc1C ZINC000048059283 1405037156 /nfs/dbraw/zinc/03/71/56/1405037156.db2.gz DIAPEYWACIHCAU-UHFFFAOYSA-N 0 1 382.504 3.419 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 ZINC000048059694 1405037672 /nfs/dbraw/zinc/03/76/72/1405037672.db2.gz FTEKPBWWVDQFQD-IBGZPJMESA-N 0 1 384.455 3.377 20 0 GGADMN Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)COc1cccc(C)c1 ZINC000048071666 1405042813 /nfs/dbraw/zinc/04/28/13/1405042813.db2.gz YBYKFINEOPPTDM-UHFFFAOYSA-N 0 1 395.484 3.191 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1F ZINC000048073373 1405042910 /nfs/dbraw/zinc/04/29/10/1405042910.db2.gz BYCNUPPIUGFTLU-SFHVURJKSA-N 0 1 376.407 3.348 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000048074737 1405043363 /nfs/dbraw/zinc/04/33/63/1405043363.db2.gz RPPHIGXHARKJNZ-FQEVSTJZSA-N 0 1 398.482 3.486 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000048078389 1405045289 /nfs/dbraw/zinc/04/52/89/1405045289.db2.gz FYCNVDHNYFRJGB-IBGZPJMESA-N 0 1 386.471 3.390 20 0 GGADMN CCc1c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cnn1-c1ccccn1 ZINC000048079339 1405045691 /nfs/dbraw/zinc/04/56/91/1405045691.db2.gz MYSCIBRMCJOERR-SFHVURJKSA-N 0 1 395.532 3.458 20 0 GGADMN COCCOc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000048085777 1405048815 /nfs/dbraw/zinc/04/88/15/1405048815.db2.gz DJTKHFQWFJLNKH-IBGZPJMESA-N 0 1 375.444 3.275 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)C[C@H](C)O1 ZINC000048092761 1405050580 /nfs/dbraw/zinc/05/05/80/1405050580.db2.gz KXTRLJFXLRKXMB-GASCZTMLSA-N 0 1 391.512 3.107 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000048093215 1405051066 /nfs/dbraw/zinc/05/10/66/1405051066.db2.gz UJWZPLAAVVHDKE-WMLDXEAASA-N 0 1 387.446 3.422 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccccc2OC(C)C)C1 ZINC000048093438 1405051115 /nfs/dbraw/zinc/05/11/15/1405051115.db2.gz VEMTVNOMUCRICD-ROUUACIJSA-N 0 1 377.529 3.191 20 0 GGADMN Cc1nn(C)c2ncc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc12 ZINC000048095317 1405051644 /nfs/dbraw/zinc/05/16/44/1405051644.db2.gz ZLEGUUBHZYCPQA-QGZVFWFLSA-N 0 1 382.468 3.218 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1Cl ZINC000048095493 1405052266 /nfs/dbraw/zinc/05/22/66/1405052266.db2.gz CDJDWDMDHJRKFJ-KRWDZBQOSA-N 0 1 392.862 3.263 20 0 GGADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000048104178 1405055037 /nfs/dbraw/zinc/05/50/37/1405055037.db2.gz YLVUMVUOGZAWEB-QGZVFWFLSA-N 0 1 384.524 3.261 20 0 GGADMN COC(=O)c1ccc(F)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000048107370 1405058328 /nfs/dbraw/zinc/05/83/28/1405058328.db2.gz PSEJFIQYZOCXHK-MRXNPFEDSA-N 0 1 375.400 3.164 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)c1 ZINC000048109294 1405058726 /nfs/dbraw/zinc/05/87/26/1405058726.db2.gz MVSDJNQCTFIVIQ-SFHVURJKSA-N 0 1 384.480 3.296 20 0 GGADMN C[C@@H](CNC(=O)NCCCn1cnc2ccccc21)N1CCc2ccccc2C1 ZINC000048125107 1405065185 /nfs/dbraw/zinc/06/51/85/1405065185.db2.gz AMOIFJRYGULNIO-SFHVURJKSA-N 0 1 391.519 3.172 20 0 GGADMN CN1CCN(C(C)(C)CNC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC1 ZINC000048130012 1405067140 /nfs/dbraw/zinc/06/71/40/1405067140.db2.gz AMIFCCPKJPCXDD-UHFFFAOYSA-N 0 1 383.323 3.231 20 0 GGADMN COc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1OC(F)F ZINC000048140184 1405070629 /nfs/dbraw/zinc/07/06/29/1405070629.db2.gz XSAOSDLKRAWNAB-CQSZACIVSA-N 0 1 390.430 3.473 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@H](C)O1 ZINC000048138779 1405070836 /nfs/dbraw/zinc/07/08/36/1405070836.db2.gz QGYMPXZDHNEMGG-IYBDPMFKSA-N 0 1 378.492 3.047 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cc(N2CCCC2=O)ccc1F)c1ccsc1 ZINC000048145920 1405073299 /nfs/dbraw/zinc/07/32/99/1405073299.db2.gz ADJFHSXVVDOLBV-QGZVFWFLSA-N 0 1 390.484 3.438 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1CN1CCOCC1)c1cccs1 ZINC000048147228 1405073853 /nfs/dbraw/zinc/07/38/53/1405073853.db2.gz GIDMUOGJCICMRL-SFHVURJKSA-N 0 1 388.537 3.005 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1CN1CCOCC1)c1ccsc1 ZINC000048148201 1405074950 /nfs/dbraw/zinc/07/49/50/1405074950.db2.gz HOTWRFRRSJNZNJ-IBGZPJMESA-N 0 1 388.537 3.005 20 0 GGADMN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000048168613 1405083525 /nfs/dbraw/zinc/08/35/25/1405083525.db2.gz FNCLWRXMRBOXPX-KDOFPFPSSA-N 0 1 389.883 3.005 20 0 GGADMN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000048168617 1405083718 /nfs/dbraw/zinc/08/37/18/1405083718.db2.gz FNCLWRXMRBOXPX-RDTXWAMCSA-N 0 1 389.883 3.005 20 0 GGADMN CNC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(C)c1 ZINC000048180736 1405088614 /nfs/dbraw/zinc/08/86/14/1405088614.db2.gz SVJTVXGYKGMCNQ-GOSISDBHSA-N 0 1 384.480 3.296 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N(C)Cc2nnc3n2CCCCC3)n[nH]1 ZINC000048193937 1405093848 /nfs/dbraw/zinc/09/38/48/1405093848.db2.gz PGYHDBQZAOOHSW-UHFFFAOYSA-N 0 1 394.479 3.066 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000048195968 1405094611 /nfs/dbraw/zinc/09/46/11/1405094611.db2.gz DVGSVJYDLWPGDP-UHFFFAOYSA-N 0 1 388.367 3.252 20 0 GGADMN O=C(NCCCOCC1CC1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000048198461 1405095684 /nfs/dbraw/zinc/09/56/84/1405095684.db2.gz RLLQRYRBXBAWRT-UHFFFAOYSA-N 0 1 379.932 3.420 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cn2)n1 ZINC000048212211 1405098992 /nfs/dbraw/zinc/09/89/92/1405098992.db2.gz XGXQGSQMXFDBEE-QGZVFWFLSA-N 0 1 384.509 3.370 20 0 GGADMN CC(C)COCCCNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048211432 1405099183 /nfs/dbraw/zinc/09/91/83/1405099183.db2.gz DIHADFMUTCBBGY-RTBURBONSA-N 0 1 391.556 3.158 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2cccc(N3CCNC3=O)c2)[nH]n1 ZINC000048240517 1405110350 /nfs/dbraw/zinc/11/03/50/1405110350.db2.gz JJYLMSPGZXOWKC-UHFFFAOYSA-N 0 1 391.431 3.257 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 ZINC000048244856 1405112494 /nfs/dbraw/zinc/11/24/94/1405112494.db2.gz FXFHXEAWUSZHPM-LBPRGKRZSA-N 0 1 395.502 3.314 20 0 GGADMN O=C(Nc1cc2c(cc1Br)OCCO2)c1cc(F)cc2[nH]cnc21 ZINC000048246888 1405114116 /nfs/dbraw/zinc/11/41/16/1405114116.db2.gz MEDYVQYJQLLHPM-UHFFFAOYSA-N 0 1 392.184 3.488 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSCc2ccccn2)N2CCCC2)c1 ZINC000048297889 1405132972 /nfs/dbraw/zinc/13/29/72/1405132972.db2.gz KCFOPXZOKISKLP-FQEVSTJZSA-N 0 1 385.533 3.277 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(F)cc3[nH]cnc32)c1)n1cccn1 ZINC000048321898 1405144385 /nfs/dbraw/zinc/14/43/85/1405144385.db2.gz ZUVNEQFYYHQOFV-LBPRGKRZSA-N 0 1 392.394 3.351 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3sccc3-c3ccccc3)ccn2)CC1 ZINC000048329085 1405148107 /nfs/dbraw/zinc/14/81/07/1405148107.db2.gz IFLGSNGAFDAZPZ-UHFFFAOYSA-N 0 1 392.528 3.492 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(-n2nccn2)cc1 ZINC000048330171 1405148565 /nfs/dbraw/zinc/14/85/65/1405148565.db2.gz SPRLKKUTWRCQDM-GOSISDBHSA-N 0 1 380.452 3.209 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NCC2(N3CCOCC3)CCCCC2)ccc1C ZINC000048361154 1405163792 /nfs/dbraw/zinc/16/37/92/1405163792.db2.gz AVZMCNSDRAMYDU-UHFFFAOYSA-N 0 1 388.512 3.110 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)ccc1NC(C)=O ZINC000048379370 1405171163 /nfs/dbraw/zinc/17/11/63/1405171163.db2.gz UIXYFVSSKAJBCA-MRXNPFEDSA-N 0 1 376.482 3.140 20 0 GGADMN CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000048465387 1405197599 /nfs/dbraw/zinc/19/75/99/1405197599.db2.gz LVICSSSHXUHQIT-AWEZNQCLSA-N 0 1 376.844 3.081 20 0 GGADMN CC(C)c1ccc(SCC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000048481539 1405202345 /nfs/dbraw/zinc/20/23/45/1405202345.db2.gz WRBIOCSPPASETE-UHFFFAOYSA-N 0 1 376.566 3.473 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000048502941 1405209724 /nfs/dbraw/zinc/20/97/24/1405209724.db2.gz JJDPLTWZHDMJSJ-KRWDZBQOSA-N 0 1 392.862 3.263 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1nccn1Cc1ccccc1)c1ccsc1 ZINC000048507396 1405212031 /nfs/dbraw/zinc/21/20/31/1405212031.db2.gz YWJOBMHVRPRDGM-LJQANCHMSA-N 0 1 397.548 3.138 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1cnc(N2CCCC2)nc1 ZINC000048684992 1405256778 /nfs/dbraw/zinc/25/67/78/1405256778.db2.gz LDVLGKASABADBI-UHFFFAOYSA-N 0 1 376.508 3.228 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000048683370 1405256952 /nfs/dbraw/zinc/25/69/52/1405256952.db2.gz RPOIOVVFPDIQPI-QGZVFWFLSA-N 0 1 376.932 3.188 20 0 GGADMN CNC(=O)c1cccc(CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000048709680 1405263593 /nfs/dbraw/zinc/26/35/93/1405263593.db2.gz WBGXJKGSQFERPK-UHFFFAOYSA-N 0 1 384.430 3.417 20 0 GGADMN CN(C)c1ccc(CNCc2cnn(-c3ccc(Br)cc3)c2)cn1 ZINC000048711443 1405264536 /nfs/dbraw/zinc/26/45/36/1405264536.db2.gz RSSQSNIHMQJYGN-UHFFFAOYSA-N 0 1 386.297 3.386 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CCCC2)cc1 ZINC000048722601 1405270896 /nfs/dbraw/zinc/27/08/96/1405270896.db2.gz MSUMHSRJWGTTOW-NRFANRHFSA-N 0 1 395.503 3.204 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2F)N2CCCC2)cc1 ZINC000048722741 1405271167 /nfs/dbraw/zinc/27/11/67/1405271167.db2.gz UQEUKBRPPMTQKP-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cc(C)c2)N2CCCC2)cc1 ZINC000048722710 1405271261 /nfs/dbraw/zinc/27/12/61/1405271261.db2.gz QBLSFQZSOJXXPZ-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCCCC2)cc1 ZINC000048734487 1405275571 /nfs/dbraw/zinc/27/55/71/1405275571.db2.gz DNVAMOBUGRYNFM-HXUWFJFHSA-N 0 1 399.466 3.116 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCCCC2)cc1 ZINC000048734493 1405275653 /nfs/dbraw/zinc/27/56/53/1405275653.db2.gz JWKBCUUCXRUYHM-FQEVSTJZSA-N 0 1 399.466 3.116 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cccs1 ZINC000048742228 1405277509 /nfs/dbraw/zinc/27/75/09/1405277509.db2.gz WMECOCGGIRRWHS-ZDUSSCGKSA-N 0 1 385.411 3.125 20 0 GGADMN COc1ccc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(OC)c1 ZINC000048744665 1405278215 /nfs/dbraw/zinc/27/82/15/1405278215.db2.gz MYHUUDCLSPZISD-OAHLLOKOSA-N 0 1 384.476 3.212 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccs1 ZINC000048743900 1405278400 /nfs/dbraw/zinc/27/84/00/1405278400.db2.gz MTHOQESRTXFOLL-OAHLLOKOSA-N 0 1 398.488 3.124 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1cccs1 ZINC000048743898 1405278881 /nfs/dbraw/zinc/27/88/81/1405278881.db2.gz MTHOQESRTXFOLL-HNNXBMFYSA-N 0 1 398.488 3.124 20 0 GGADMN COc1ccc(OC)c(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000048744656 1405278952 /nfs/dbraw/zinc/27/89/52/1405278952.db2.gz NVIZPFURVUTKTP-HNNXBMFYSA-N 0 1 384.476 3.212 20 0 GGADMN COc1cc(CN[C@H](C)c2oc3ccccc3c2C)cc(OC)c1OCC(N)=O ZINC000048747302 1405279357 /nfs/dbraw/zinc/27/93/57/1405279357.db2.gz KYBDONLWSXPQRE-CQSZACIVSA-N 0 1 398.459 3.473 20 0 GGADMN O=C(CNCc1ccc(-n2cccn2)cc1)Nc1ccc(Br)cc1 ZINC000048749406 1405280830 /nfs/dbraw/zinc/28/08/30/1405280830.db2.gz WFZUUPIAECODBU-UHFFFAOYSA-N 0 1 385.265 3.363 20 0 GGADMN COc1ccc(CNCC(=O)N(C)Cc2ccccc2)cc1Br ZINC000048777103 1405287896 /nfs/dbraw/zinc/28/78/96/1405287896.db2.gz MFVLOGGUFUKZKQ-UHFFFAOYSA-N 0 1 377.282 3.206 20 0 GGADMN CCOc1ccccc1CNCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000048778032 1405288907 /nfs/dbraw/zinc/28/89/07/1405288907.db2.gz UGAQKRQTVFOMHN-UHFFFAOYSA-N 0 1 397.519 3.036 20 0 GGADMN NC(=O)c1ccc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000048781573 1405290249 /nfs/dbraw/zinc/29/02/49/1405290249.db2.gz IBJXOALJVDPLBA-UHFFFAOYSA-N 0 1 377.419 3.467 20 0 GGADMN COc1cc2c(cc1CNCCCS(=O)(=O)Cc1ccccc1)O[C@H](C)C2 ZINC000048784028 1405292153 /nfs/dbraw/zinc/29/21/53/1405292153.db2.gz NXMYGYRFWYIQGA-MRXNPFEDSA-N 0 1 389.517 3.113 20 0 GGADMN CCNC(=O)c1cccc(CNCc2cc3c(c(Br)c2)OCO3)c1 ZINC000048815972 1405297148 /nfs/dbraw/zinc/29/71/48/1405297148.db2.gz AMSVQOKIKLMKRW-UHFFFAOYSA-N 0 1 391.265 3.217 20 0 GGADMN O=C(COc1ccccc1CNCc1ccc(Cl)s1)NC[C@@H]1CCCO1 ZINC000048819688 1405297907 /nfs/dbraw/zinc/29/79/07/1405297907.db2.gz XVQOEEHRRSSRPY-HNNXBMFYSA-N 0 1 394.924 3.365 20 0 GGADMN O=C(COc1ccccc1CNCc1ccc(Cl)s1)NC[C@H]1CCCO1 ZINC000048819691 1405298068 /nfs/dbraw/zinc/29/80/68/1405298068.db2.gz XVQOEEHRRSSRPY-OAHLLOKOSA-N 0 1 394.924 3.365 20 0 GGADMN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000048827830 1405300129 /nfs/dbraw/zinc/30/01/29/1405300129.db2.gz DBYHJIFEWISMSY-HXUWFJFHSA-N 0 1 395.503 3.149 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C)N1CCCC1 ZINC000048827576 1405300769 /nfs/dbraw/zinc/30/07/69/1405300769.db2.gz OAUMAHJHMBVTJW-FQEVSTJZSA-N 0 1 395.503 3.204 20 0 GGADMN CC1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2cccs2)CC1 ZINC000048828140 1405301233 /nfs/dbraw/zinc/30/12/33/1405301233.db2.gz JXKBOHCLOCIRDM-QGZVFWFLSA-N 0 1 389.496 3.415 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(C)cc1F)N1CCCC1 ZINC000048827911 1405301898 /nfs/dbraw/zinc/30/18/98/1405301898.db2.gz GELKLOHTNIILTD-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000048842940 1405303625 /nfs/dbraw/zinc/30/36/25/1405303625.db2.gz VBYNUSNUFRMCEA-MRXNPFEDSA-N 0 1 398.265 3.490 20 0 GGADMN CCCCc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000048844966 1405304036 /nfs/dbraw/zinc/30/40/36/1405304036.db2.gz JDZBCLALWOIFHD-OAQYLSRUSA-N 0 1 397.519 3.395 20 0 GGADMN CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000048845474 1405304177 /nfs/dbraw/zinc/30/41/77/1405304177.db2.gz YDGCEXXHYQDCAC-FQEVSTJZSA-N 0 1 383.492 3.005 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)c1cccc(F)c1 ZINC000048843388 1405304404 /nfs/dbraw/zinc/30/44/04/1405304404.db2.gz QVGYLWJNPUOQKF-FQEVSTJZSA-N 0 1 383.467 3.062 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000048843613 1405304694 /nfs/dbraw/zinc/30/46/94/1405304694.db2.gz XUVGSQGKBDJLGP-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(Cl)c1 ZINC000048843183 1405304716 /nfs/dbraw/zinc/30/47/16/1405304716.db2.gz VKZGDLICGGMCID-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C)N(C)C)c1 ZINC000048844893 1405305031 /nfs/dbraw/zinc/30/50/31/1405305031.db2.gz IDOYVYXCOMSXCL-SFHVURJKSA-N 0 1 389.883 3.015 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000048846392 1405305329 /nfs/dbraw/zinc/30/53/29/1405305329.db2.gz BRGFTQBKPFEGNS-IBGZPJMESA-N 0 1 383.492 3.005 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc3cccnc32)N(C)C)cc1 ZINC000048846758 1405305498 /nfs/dbraw/zinc/30/54/98/1405305498.db2.gz DWTKHQNIBJYNFG-HXUWFJFHSA-N 0 1 390.487 3.155 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(SC)cc2)N(C)C)cc1 ZINC000048846865 1405305602 /nfs/dbraw/zinc/30/56/02/1405305602.db2.gz WRHAWGQDCUYQSE-IBGZPJMESA-N 0 1 385.533 3.329 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)N(C)C)cc1 ZINC000048846429 1405306163 /nfs/dbraw/zinc/30/61/63/1405306163.db2.gz YCJZNFUOWYUFSH-OAQYLSRUSA-N 0 1 397.519 3.394 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2Cl)N(C)C)cc1 ZINC000048846252 1405306206 /nfs/dbraw/zinc/30/62/06/1405306206.db2.gz VMUGBKPGYYIDDG-SFHVURJKSA-N 0 1 391.874 3.399 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2F)N(C)C)cc1 ZINC000048846135 1405306274 /nfs/dbraw/zinc/30/62/74/1405306274.db2.gz ZEUDJJGYAKPHCB-MRXNPFEDSA-N 0 1 393.409 3.024 20 0 GGADMN CCc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048851502 1405307635 /nfs/dbraw/zinc/30/76/35/1405307635.db2.gz SXBCZMCSJWZGGI-HXUWFJFHSA-N 0 1 379.504 3.449 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000048852322 1405307698 /nfs/dbraw/zinc/30/76/98/1405307698.db2.gz UYHCHTOAQAJCTR-OAQYLSRUSA-N 0 1 395.503 3.366 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048852106 1405308009 /nfs/dbraw/zinc/30/80/09/1405308009.db2.gz UKYIOVQJGYMYOP-GOSISDBHSA-N 0 1 383.517 3.300 20 0 GGADMN CCc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048851499 1405308264 /nfs/dbraw/zinc/30/82/64/1405308264.db2.gz SXBCZMCSJWZGGI-FQEVSTJZSA-N 0 1 379.504 3.449 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000048852725 1405308284 /nfs/dbraw/zinc/30/82/84/1405308284.db2.gz XSNFISZFNVMQIM-OAQYLSRUSA-N 0 1 377.488 3.067 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000048853716 1405308453 /nfs/dbraw/zinc/30/84/53/1405308453.db2.gz XQWNUALZVNOFNG-MRXNPFEDSA-N 0 1 387.505 3.039 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000048853624 1405308636 /nfs/dbraw/zinc/30/86/36/1405308636.db2.gz AAODWLVLDWGQKB-CYBMUJFWSA-N 0 1 397.422 3.057 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048853135 1405309061 /nfs/dbraw/zinc/30/90/61/1405309061.db2.gz QQUWVPGZSIZOQY-FQEVSTJZSA-N 0 1 395.503 3.366 20 0 GGADMN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000048853797 1405309165 /nfs/dbraw/zinc/30/91/65/1405309165.db2.gz LLBBEAHHFCGVFD-INIZCTEOSA-N 0 1 375.469 3.087 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048853139 1405309483 /nfs/dbraw/zinc/30/94/83/1405309483.db2.gz QQUWVPGZSIZOQY-HXUWFJFHSA-N 0 1 395.503 3.366 20 0 GGADMN N#CC(C(=O)CSc1nnnn1C1CCCC1)c1ccc2ccccc2n1 ZINC000048855632 1405310108 /nfs/dbraw/zinc/31/01/08/1405310108.db2.gz ZLFGGXOTXGEWQB-OAHLLOKOSA-N 0 1 378.461 3.305 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc(Cl)c1F ZINC000048854175 1405310413 /nfs/dbraw/zinc/31/04/13/1405310413.db2.gz LDQFMZYZHCRAHS-CQSZACIVSA-N 0 1 395.887 3.432 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)ccn2)CC1 ZINC000048870601 1405312030 /nfs/dbraw/zinc/31/20/30/1405312030.db2.gz KFTNAVHECPYZOM-MOPGFXCFSA-N 0 1 387.572 3.238 20 0 GGADMN Cc1cc([C@@H](C)NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c(C)s1 ZINC000048870878 1405312922 /nfs/dbraw/zinc/31/29/22/1405312922.db2.gz RTEOPKZBIKCSNN-OAHLLOKOSA-N 0 1 387.553 3.072 20 0 GGADMN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048875692 1405313230 /nfs/dbraw/zinc/31/32/30/1405313230.db2.gz KLOXSWIXFDRNMS-MRXNPFEDSA-N 0 1 392.286 3.323 20 0 GGADMN CCOc1ccc(CNC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1OC ZINC000048883448 1405315484 /nfs/dbraw/zinc/31/54/84/1405315484.db2.gz JCGQSEIUNVFUMK-QGZVFWFLSA-N 0 1 397.519 3.340 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCCC2)c1 ZINC000048904808 1405319006 /nfs/dbraw/zinc/31/90/06/1405319006.db2.gz PUMZHVYKKOAESJ-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)ccc2C)N2CCCC2)c1 ZINC000048904455 1405319040 /nfs/dbraw/zinc/31/90/40/1405319040.db2.gz QQOCOEMNTKHAGI-NRFANRHFSA-N 0 1 395.503 3.204 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)ccc2C)N2CCCC2)c1 ZINC000048904457 1405319489 /nfs/dbraw/zinc/31/94/89/1405319489.db2.gz QQOCOEMNTKHAGI-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000049074855 1405338555 /nfs/dbraw/zinc/33/85/55/1405338555.db2.gz JHRGFECGWQJCOZ-YJBOKZPZSA-N 0 1 375.904 3.061 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736134921 1426891238 /nfs/dbraw/zinc/89/12/38/1426891238.db2.gz WGOUJUHECIEQHY-WDEREUQCSA-N 0 1 388.834 3.337 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1Cl ZINC000049165999 1405348143 /nfs/dbraw/zinc/34/81/43/1405348143.db2.gz ZOZUBCPXFGPPKE-MAUKXSAKSA-N 0 1 387.911 3.119 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000049167131 1405348781 /nfs/dbraw/zinc/34/87/81/1405348781.db2.gz NGKBMRYYTSOXMI-HTAPYJJXSA-N 0 1 381.520 3.028 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000049273125 1405358720 /nfs/dbraw/zinc/35/87/20/1405358720.db2.gz QXTMYNVHGPJUOS-UHFFFAOYSA-N 0 1 393.274 3.192 20 0 GGADMN Cc1ccccc1NC(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000049353902 1405370574 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C[C@@H](CNC(=O)c1cccnc1N1CCCCC1)N1CCc2ccccc2C1 ZINC000049658484 1405392630 /nfs/dbraw/zinc/39/26/30/1405392630.db2.gz NTAHHKKEJLTFMG-SFHVURJKSA-N 0 1 378.520 3.249 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)CC1 ZINC000049733575 1405401693 /nfs/dbraw/zinc/40/16/93/1405401693.db2.gz ANFYZUAMVPTBKW-UHFFFAOYSA-N 0 1 394.450 3.480 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1cnn(C)c1)c1ccccc1Cl ZINC000049794844 1405417925 /nfs/dbraw/zinc/41/79/25/1405417925.db2.gz QVISJMJVSBGJFK-SFHVURJKSA-N 0 1 377.920 3.298 20 0 GGADMN CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000049790128 1405418559 /nfs/dbraw/zinc/41/85/59/1405418559.db2.gz CEYIZFXMIBWZAG-FQEVSTJZSA-N 0 1 382.508 3.459 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCn2cccc2[C@H]1C)N1CCCC1 ZINC000049790284 1405418575 /nfs/dbraw/zinc/41/85/75/1405418575.db2.gz ASEAZWQDIBLPEU-XLIONFOSSA-N 0 1 382.508 3.420 20 0 GGADMN Cc1nc2ccccc2n1CCCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000049798440 1405419634 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C[C@H](CNC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1)N1CCCCC1 ZINC000057163630 1407539403 /nfs/dbraw/zinc/53/94/03/1407539403.db2.gz VEVJUOIAPHUXDF-OAHLLOKOSA-N 0 1 393.478 3.444 20 0 GGADMN Cc1oc(-c2ccccc2)nc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000057166149 1407540283 /nfs/dbraw/zinc/54/02/83/1407540283.db2.gz ABQUKGLZHYPRNU-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN COc1ccc2nc(C)c(C(=O)NC3CCN(Cc4ccncc4)CC3)cc2c1 ZINC000057167074 1407540801 /nfs/dbraw/zinc/54/08/01/1407540801.db2.gz IIXYOQMDAZDKBW-UHFFFAOYSA-N 0 1 390.487 3.341 20 0 GGADMN COc1ccc(OCCCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000057166465 1407540826 /nfs/dbraw/zinc/54/08/26/1407540826.db2.gz WLOOGSAJYNPSHM-UHFFFAOYSA-N 0 1 383.492 3.030 20 0 GGADMN O=C(Cc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccncc2)CC1 ZINC000057166313 1407540838 /nfs/dbraw/zinc/54/08/38/1407540838.db2.gz HHHGEQUCANMQEB-UHFFFAOYSA-N 0 1 375.419 3.006 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000057167690 1407541180 /nfs/dbraw/zinc/54/11/80/1407541180.db2.gz SLUHVZLPDCRBHM-UHFFFAOYSA-N 0 1 393.516 3.324 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000057167082 1407541271 /nfs/dbraw/zinc/54/12/71/1407541271.db2.gz GLUURTSMQSTHPM-UHFFFAOYSA-N 0 1 378.451 3.472 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(Nc2ncccn2)c1 ZINC000057167372 1407541440 /nfs/dbraw/zinc/54/14/40/1407541440.db2.gz AIEKGRFSPURLFF-UHFFFAOYSA-N 0 1 388.475 3.010 20 0 GGADMN O=C(COc1ccccc1C(F)(F)F)NC1CCN(Cc2ccncc2)CC1 ZINC000057167481 1407541596 /nfs/dbraw/zinc/54/15/96/1407541596.db2.gz YKLZSAAQKRCUJL-UHFFFAOYSA-N 0 1 393.409 3.260 20 0 GGADMN CC(C)C(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000057167454 1407541644 /nfs/dbraw/zinc/54/16/44/1407541644.db2.gz JDECBWIFRJPLIL-UHFFFAOYSA-N 0 1 380.492 3.071 20 0 GGADMN CC(C)Oc1ncc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000057167822 1407541695 /nfs/dbraw/zinc/54/16/95/1407541695.db2.gz VQKMZKZBHVNMHF-UHFFFAOYSA-N 0 1 388.899 3.312 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000057169936 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ZINC000057289255 1407581105 /nfs/dbraw/zinc/58/11/05/1407581105.db2.gz SZYDQFZMXNEDEC-UHFFFAOYSA-N 0 1 398.440 3.454 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C2(c3ccccc3C)CCOCC2)N(C)C)c1 ZINC000057383173 1407602901 /nfs/dbraw/zinc/60/29/01/1407602901.db2.gz NIGKSEBMLBKSPV-JOCHJYFZSA-N 0 1 396.531 3.471 20 0 GGADMN CCOC(=O)C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(OC)c1 ZINC000057390118 1407604970 /nfs/dbraw/zinc/60/49/70/1407604970.db2.gz IGFVYDYRXZNUPA-INIZCTEOSA-N 0 1 377.824 3.479 20 0 GGADMN CCOC[C@H]1CCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000176334217 1428251245 /nfs/dbraw/zinc/25/12/45/1428251245.db2.gz RFMFBDSMOXWBKS-LBPRGKRZSA-N 0 1 383.395 3.205 20 0 GGADMN COCCn1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c2ccccc21 ZINC000057428864 1407615338 /nfs/dbraw/zinc/61/53/38/1407615338.db2.gz JIUSMSVZVVXPKQ-OAQYLSRUSA-N 0 1 383.467 3.460 20 0 GGADMN COCCn1cc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c2ccccc21 ZINC000057433111 1407616886 /nfs/dbraw/zinc/61/68/86/1407616886.db2.gz OVGXAAHMPZCYOZ-GOSISDBHSA-N 0 1 391.515 3.464 20 0 GGADMN Cc1ccccc1C1(C(=O)NC2CCN(Cc3ccncc3)CC2)CCOCC1 ZINC000057434570 1407617000 /nfs/dbraw/zinc/61/70/00/1407617000.db2.gz XQHKUGRAVSLRMA-UHFFFAOYSA-N 0 1 393.531 3.219 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN(C4CCCCC4)CC3)[nH]n2)c(OC)c1 ZINC000057477139 1407632003 /nfs/dbraw/zinc/63/20/03/1407632003.db2.gz ILJOYSACMHDXKD-UHFFFAOYSA-N 0 1 398.507 3.184 20 0 GGADMN CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000057482702 1407633377 /nfs/dbraw/zinc/63/33/77/1407633377.db2.gz QOSMXUNHVNYONE-QGZVFWFLSA-N 0 1 397.523 3.332 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(Cl)c1 ZINC000057499419 1407637195 /nfs/dbraw/zinc/63/71/95/1407637195.db2.gz ITJHZPYKFQCNMH-UHFFFAOYSA-N 0 1 392.864 3.493 20 0 GGADMN CC(C)c1ccc(CN(C)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000057530604 1407643560 /nfs/dbraw/zinc/64/35/60/1407643560.db2.gz ANLUHUMIOQDYSF-GOSISDBHSA-N 0 1 397.519 3.208 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3cc4c(s3)CCCCCC4)ccn2)CC1 ZINC000057598897 1407661611 /nfs/dbraw/zinc/66/16/11/1407661611.db2.gz DEOOKNRYNJLJDQ-UHFFFAOYSA-N 0 1 398.576 3.484 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)OCc1cc(-c2ccccc2)on1 ZINC000057603879 1407663669 /nfs/dbraw/zinc/66/36/69/1407663669.db2.gz PIYVFNXVZPOUPV-UHFFFAOYSA-N 0 1 392.415 3.383 20 0 GGADMN COc1cc(CN(C)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1SC ZINC000057611132 1407664637 /nfs/dbraw/zinc/66/46/37/1407664637.db2.gz OPOOAOSOFDZDNS-IYBDPMFKSA-N 0 1 395.569 3.058 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000057613487 1407666857 /nfs/dbraw/zinc/66/68/57/1407666857.db2.gz JXTRBJRXJLCOLF-UHFFFAOYSA-N 0 1 376.478 3.414 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)C2CC2)cc1 ZINC000057618741 1407669194 /nfs/dbraw/zinc/66/91/94/1407669194.db2.gz REYRAQXXRZOVIT-JOCHJYFZSA-N 0 1 393.535 3.092 20 0 GGADMN CN(C)c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1F ZINC000057647839 1407676588 /nfs/dbraw/zinc/67/65/88/1407676588.db2.gz BUZRJMORCTVMIU-IBGZPJMESA-N 0 1 376.451 3.133 20 0 GGADMN O=c1cc(CN(CCc2ccccn2)Cc2ccc(F)cc2)nc2ccccn12 ZINC000057650298 1407677576 /nfs/dbraw/zinc/67/75/76/1407677576.db2.gz DVLRAZCOEZLVOQ-UHFFFAOYSA-N 0 1 388.446 3.474 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2)CC1 ZINC000057658007 1407678278 /nfs/dbraw/zinc/67/82/78/1407678278.db2.gz PXUPPCXPLQZPEE-UHFFFAOYSA-N 0 1 376.460 3.275 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000057657531 1407678316 /nfs/dbraw/zinc/67/83/16/1407678316.db2.gz XKBAFXMBUROOCY-IUODEOHRSA-N 0 1 377.462 3.474 20 0 GGADMN O=C(NCC1CCC(c2ccccc2)CC1)N1CCN(C2CCOCC2)CC1 ZINC000176342409 1428256730 /nfs/dbraw/zinc/25/67/30/1428256730.db2.gz NFTKMMAYIJKRAL-UHFFFAOYSA-N 0 1 385.552 3.467 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(Cl)cc1 ZINC000057704422 1407693012 /nfs/dbraw/zinc/69/30/12/1407693012.db2.gz AHQIOBOHOFWMRA-SJORKVTESA-N 0 1 393.940 3.388 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(Cl)cc1 ZINC000057704439 1407693832 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ZINC000061221286 1408092329 /nfs/dbraw/zinc/09/23/29/1408092329.db2.gz UILFZKKTCGRGMM-NRFANRHFSA-N 0 1 385.508 3.375 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)NCCc3cccs3)CC2)c1 ZINC000061285345 1408100528 /nfs/dbraw/zinc/10/05/28/1408100528.db2.gz QEHMGWSGFZCPCX-UHFFFAOYSA-N 0 1 386.565 3.111 20 0 GGADMN O=C(Nc1ccccc1CN1CCSCC1)c1cc(=O)[nH]c2ccccc21 ZINC000061285498 1408101565 /nfs/dbraw/zinc/10/15/65/1408101565.db2.gz GANNYUWPMWLOHB-UHFFFAOYSA-N 0 1 379.485 3.329 20 0 GGADMN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000061285736 1408102082 /nfs/dbraw/zinc/10/20/82/1408102082.db2.gz WCECPUXLFOKYOW-IBGZPJMESA-N 0 1 389.565 3.211 20 0 GGADMN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000061285774 1408102137 /nfs/dbraw/zinc/10/21/37/1408102137.db2.gz ZEFUPMSFRGSGJN-LJQANCHMSA-N 0 1 389.565 3.355 20 0 GGADMN Cc1ccc(-c2ncc(C(=O)NNC(=O)COc3ccc(F)cc3)s2)c(C)c1 ZINC000061342657 1408110911 /nfs/dbraw/zinc/11/09/11/1408110911.db2.gz OJXAULFNBCKHEO-UHFFFAOYSA-N 0 1 399.447 3.406 20 0 GGADMN COc1ccc(C)cc1[C@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000061385884 1408118600 /nfs/dbraw/zinc/11/86/00/1408118600.db2.gz HEXXGBPQHMDNEL-SFHVURJKSA-N 0 1 379.420 3.011 20 0 GGADMN COc1ccc(C(=O)CCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000061398685 1408121476 /nfs/dbraw/zinc/12/14/76/1408121476.db2.gz KXJXEMZYWBALIN-UHFFFAOYSA-N 0 1 395.503 3.044 20 0 GGADMN CO[C@@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000061425883 1408124870 /nfs/dbraw/zinc/12/48/70/1408124870.db2.gz IZINEONJWQGIEG-JOCHJYFZSA-N 0 1 381.520 3.011 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc4c([nH]c3=O)CCCC4=O)[nH]c2c1 ZINC000061461429 1408132551 /nfs/dbraw/zinc/13/25/51/1408132551.db2.gz ZUXKSFRMFDQGNS-GOSISDBHSA-N 0 1 390.443 3.056 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(N4CCOCC4)nc3)[nH]c2c1 ZINC000061461436 1408132915 /nfs/dbraw/zinc/13/29/15/1408132915.db2.gz FETPTTGICCDJDF-IBGZPJMESA-N 0 1 391.475 3.080 20 0 GGADMN N#Cc1ccc(C(=O)NNC(=O)c2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000061463452 1408133629 /nfs/dbraw/zinc/13/36/29/1408133629.db2.gz MZQOHOWGOVPTPC-UHFFFAOYSA-N 0 1 382.832 3.410 20 0 GGADMN Cc1cc(C)cc(OCCOC(=O)c2ccc(F)cc2NS(C)(=O)=O)c1 ZINC000061477320 1408136500 /nfs/dbraw/zinc/13/65/00/1408136500.db2.gz YUYRWLALIXZRSH-UHFFFAOYSA-N 0 1 381.425 3.050 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000061500388 1408137846 /nfs/dbraw/zinc/13/78/46/1408137846.db2.gz MTWXNCCDFKBJOB-UHFFFAOYSA-N 0 1 396.535 3.413 20 0 GGADMN CCOc1ncccc1NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000061523189 1408142080 /nfs/dbraw/zinc/14/20/80/1408142080.db2.gz NQTIDQNSDCQWIT-IBGZPJMESA-N 0 1 384.480 3.448 20 0 GGADMN C[C@@H](CNC(=O)NCCCOCc1ccccc1)N1CCc2ccccc2C1 ZINC000061527716 1408143068 /nfs/dbraw/zinc/14/30/68/1408143068.db2.gz BTEWDBQDXWZBPO-IBGZPJMESA-N 0 1 381.520 3.339 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000061554917 1408145738 /nfs/dbraw/zinc/14/57/38/1408145738.db2.gz RGOXNGYHCIJLAG-LJQANCHMSA-N 0 1 386.471 3.260 20 0 GGADMN CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(Cl)cn1 ZINC000061571495 1408149001 /nfs/dbraw/zinc/14/90/01/1408149001.db2.gz IOTXQAFAWVZUAJ-UHFFFAOYSA-N 0 1 390.940 3.359 20 0 GGADMN CCOc1ccc2cc(C(=O)N3CCC(CCN4CCOCC4)CC3)[nH]c2c1 ZINC000061647611 1408157504 /nfs/dbraw/zinc/15/75/04/1408157504.db2.gz BUYZEXCFGRQIKL-UHFFFAOYSA-N 0 1 385.508 3.141 20 0 GGADMN Cc1ccc(C)c(SCC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000061648431 1408158056 /nfs/dbraw/zinc/15/80/56/1408158056.db2.gz KZFLNOHOUXMNSV-UHFFFAOYSA-N 0 1 376.566 3.356 20 0 GGADMN Cc1ccc(SCCC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000061648526 1408158124 /nfs/dbraw/zinc/15/81/24/1408158124.db2.gz LXJYYMLNFOPPNQ-UHFFFAOYSA-N 0 1 376.566 3.438 20 0 GGADMN C[C@H]1CCc2c(C(=O)N3CCC(CCN4CCOCC4)CC3)csc2C1 ZINC000061648636 1408158200 /nfs/dbraw/zinc/15/82/00/1408158200.db2.gz OXWOMKVKDDZHLX-INIZCTEOSA-N 0 1 376.566 3.447 20 0 GGADMN Cc1c(C(=O)N2CCC(CCN3CCOCC3)CC2)cnn1-c1cccc(C)c1 ZINC000061648075 1408158294 /nfs/dbraw/zinc/15/82/94/1408158294.db2.gz AZXQDRBFZFQPQT-UHFFFAOYSA-N 0 1 396.535 3.064 20 0 GGADMN CC(C)(C)c1ccccc1OCC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000061648477 1408158380 /nfs/dbraw/zinc/15/83/80/1408158380.db2.gz QXVKZALUNBKWDE-UHFFFAOYSA-N 0 1 388.552 3.324 20 0 GGADMN COc1ccc(SCCC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000061648343 1408158440 /nfs/dbraw/zinc/15/84/40/1408158440.db2.gz MKGPFWARYYMMON-UHFFFAOYSA-N 0 1 392.565 3.138 20 0 GGADMN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(CCN2CCOCC2)CC1 ZINC000061648566 1408158526 /nfs/dbraw/zinc/15/85/26/1408158526.db2.gz PZWSCQVORHPIDV-UHFFFAOYSA-N 0 1 386.414 3.160 20 0 GGADMN C[C@@H](SCc1ccccc1)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000061647655 1408158881 /nfs/dbraw/zinc/15/88/81/1408158881.db2.gz XGWFCOTXEKKPIO-GOSISDBHSA-N 0 1 376.566 3.269 20 0 GGADMN O=C(Cc1csc(-c2ccccc2)n1)N1CCC(CCN2CCOCC2)CC1 ZINC000061647774 1408159034 /nfs/dbraw/zinc/15/90/34/1408159034.db2.gz ZKKBJPNZFRKCCU-UHFFFAOYSA-N 0 1 399.560 3.314 20 0 GGADMN COc1ccc(COC[C@H](O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000061731082 1408166407 /nfs/dbraw/zinc/16/64/07/1408166407.db2.gz XZHLYDIRKMABIG-AWEZNQCLSA-N 0 1 389.452 3.289 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SC[C@H](O)COCc2ccco2)n1 ZINC000061727464 1408166462 /nfs/dbraw/zinc/16/64/62/1408166462.db2.gz FCYQUHHRTZOEET-GFCCVEGCSA-N 0 1 395.868 3.397 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)COc3ccc(C(C)=O)cc3)n2)cc1 ZINC000061732000 1408167164 /nfs/dbraw/zinc/16/71/64/1408167164.db2.gz WJKVBAIXBJCUPI-INIZCTEOSA-N 0 1 399.472 3.215 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)COCc3ccccc3F)n2)cc1 ZINC000061732025 1408167351 /nfs/dbraw/zinc/16/73/51/1408167351.db2.gz AQIGICVRKAKOCS-HNNXBMFYSA-N 0 1 389.452 3.289 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000061781964 1408173624 /nfs/dbraw/zinc/17/36/24/1408173624.db2.gz DNVVGTJVRIMSMY-KRWDZBQOSA-N 0 1 389.883 3.015 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000061782650 1408173980 /nfs/dbraw/zinc/17/39/80/1408173980.db2.gz RCYRAOSGIIUOCZ-NRFANRHFSA-N 0 1 387.483 3.296 20 0 GGADMN CCN(C[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1)CC(F)(F)F ZINC000176393434 1428296716 /nfs/dbraw/zinc/29/67/16/1428296716.db2.gz VNGWZXBFYMWBMW-JXFKEZNVSA-N 0 1 397.485 3.460 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000061793877 1408178955 /nfs/dbraw/zinc/17/89/55/1408178955.db2.gz KYBHZNXPIMSPLY-SFHVURJKSA-N 0 1 399.495 3.339 20 0 GGADMN CCN(C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1)CC(F)(F)F ZINC000176394364 1428298007 /nfs/dbraw/zinc/29/80/07/1428298007.db2.gz YBDPYCIZTBZCSX-STQMWFEESA-N 0 1 393.400 3.498 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)NCc1cc2ccccc2o1 ZINC000061968629 1408196522 /nfs/dbraw/zinc/19/65/22/1408196522.db2.gz XGMHDZDPZMJMTM-UHFFFAOYSA-N 0 1 392.503 3.444 20 0 GGADMN O=C(c1cc(F)cc2[nH]cnc21)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000176395734 1428299229 /nfs/dbraw/zinc/29/92/29/1428299229.db2.gz RCRVGYLZDVJZSJ-AWEZNQCLSA-N 0 1 392.434 3.459 20 0 GGADMN CC[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC2)N1CCc2ccccc2C1 ZINC000062111807 1408211972 /nfs/dbraw/zinc/21/19/72/1408211972.db2.gz SMRHVFKZCGPZKC-QFIPXVFZSA-N 0 1 391.515 3.067 20 0 GGADMN CCOC(=O)CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000062232288 1408222452 /nfs/dbraw/zinc/22/24/52/1408222452.db2.gz JEUZCKLRWCTYFH-UHFFFAOYSA-N 0 1 381.407 3.421 20 0 GGADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000062238392 1408222947 /nfs/dbraw/zinc/22/29/47/1408222947.db2.gz VDMPDIBMRHSTMA-VXGBXAGGSA-N 0 1 379.382 3.482 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)Nc1ccc(N3CCN(C)CC3)c(C)c1)CC2 ZINC000062249499 1408224220 /nfs/dbraw/zinc/22/42/20/1408224220.db2.gz QUIFEDDAUIZSDD-UHFFFAOYSA-N 0 1 394.519 3.346 20 0 GGADMN COc1cc(CN[C@H](C)C(=O)NC(C)(C)C)ccc1OCc1c(C)noc1C ZINC000062258320 1408226600 /nfs/dbraw/zinc/22/66/00/1408226600.db2.gz QQXDLTXNUNOOFI-CQSZACIVSA-N 0 1 389.496 3.272 20 0 GGADMN CCN(C[C@H]1CCN(CC(=O)NCc2cccc(Cl)c2)C1)CC(F)(F)F ZINC000176397998 1428300901 /nfs/dbraw/zinc/30/09/01/1428300901.db2.gz GDAVWAWOGOGAJG-OAHLLOKOSA-N 0 1 391.865 3.162 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)N1CCC(C)CC1 ZINC000062349726 1408242698 /nfs/dbraw/zinc/24/26/98/1408242698.db2.gz DFJYKAAIUXFFLM-QGZVFWFLSA-N 0 1 380.554 3.407 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000062358262 1408243787 /nfs/dbraw/zinc/24/37/87/1408243787.db2.gz TWNGCAPAHQIIJG-SJORKVTESA-N 0 1 395.931 3.458 20 0 GGADMN CCN(C[C@@H]1CCN([C@@H](C)c2nc(-c3cccnc3)no2)C1)CC(F)(F)F ZINC000176400752 1428302696 /nfs/dbraw/zinc/30/26/96/1428302696.db2.gz IKQPVBQUMYUBRV-KBPBESRZSA-N 0 1 383.418 3.399 20 0 GGADMN Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCCS(C)(=O)=O)c1 ZINC000062423173 1408256560 /nfs/dbraw/zinc/25/65/60/1408256560.db2.gz IBQIGSZJEZJIOC-UHFFFAOYSA-N 0 1 383.517 3.041 20 0 GGADMN CCN(C[C@H]1CCN([C@@H](C)C(=O)N2CCc3ccccc32)C1)CC(F)(F)F ZINC000176401415 1428303481 /nfs/dbraw/zinc/30/34/81/1428303481.db2.gz IPYASKYJIARFKB-JKSUJKDBSA-N 0 1 383.458 3.170 20 0 GGADMN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000062487524 1408268248 /nfs/dbraw/zinc/26/82/48/1408268248.db2.gz VQGBSTZMENIDDY-SFHVURJKSA-N 0 1 379.479 3.417 20 0 GGADMN CCN(C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1)CC(F)(F)F ZINC000176406904 1428306130 /nfs/dbraw/zinc/30/61/30/1428306130.db2.gz GHQCYULJDQVVSE-LSDHHAIUSA-N 0 1 387.446 3.228 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)Nc1ccccc1N1CCN(C)CC1)CC2 ZINC000063161025 1408310342 /nfs/dbraw/zinc/31/03/42/1408310342.db2.gz ZBMNNRFVFFLWBR-UHFFFAOYSA-N 0 1 380.492 3.037 20 0 GGADMN CC(=O)CCc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000063241922 1408321630 /nfs/dbraw/zinc/32/16/30/1408321630.db2.gz VLRXAZOSTIMOLG-UZLBHIALSA-N 0 1 388.533 3.456 20 0 GGADMN COCCOCCC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000063294637 1408330818 /nfs/dbraw/zinc/33/08/18/1408330818.db2.gz MIJJAFAGRGNWQK-UHFFFAOYSA-N 0 1 375.375 3.500 20 0 GGADMN COc1ccc(F)cc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301781 1408332108 /nfs/dbraw/zinc/33/21/08/1408332108.db2.gz YRPSBYCCHPUBLB-UHFFFAOYSA-N 0 1 376.497 3.467 20 0 GGADMN 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399.560 3.170 20 0 GGADMN COc1nc(C)cc(C)c1CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000067381559 1409094381 /nfs/dbraw/zinc/09/43/81/1409094381.db2.gz HCDJNMGVOKBSFL-GOSISDBHSA-N 0 1 386.496 3.326 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc2c(c1)OCCCO2)c1cccc(F)c1 ZINC000067382719 1409095134 /nfs/dbraw/zinc/09/51/34/1409095134.db2.gz IEOKDRPBNVUONW-GOSISDBHSA-N 0 1 387.455 3.089 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1cccc(F)c1 ZINC000067382753 1409095858 /nfs/dbraw/zinc/09/58/58/1409095858.db2.gz LXZTZVZVWYHYIA-VQTJNVASSA-N 0 1 389.446 3.351 20 0 GGADMN Cc1noc(CCCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000067389447 1409097528 /nfs/dbraw/zinc/09/75/28/1409097528.db2.gz RLEWJYAKEWGRGT-KRWDZBQOSA-N 0 1 391.903 3.100 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccsc1 ZINC000067389595 1409098118 /nfs/dbraw/zinc/09/81/18/1409098118.db2.gz AETJIIBXLPGQPX-MSOLQXFVSA-N 0 1 377.485 3.273 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccsc1 ZINC000067389848 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COc1cccc([C@@H](CNC(=O)N2CC[C@H](Nc3ccccc3)C2)N(C)C)c1 ZINC000067582887 1409175273 /nfs/dbraw/zinc/17/52/73/1409175273.db2.gz XCNSPYWJUPKGPA-PZJWPPBQSA-N 0 1 382.508 3.194 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2nnc(C(F)F)s2)N2CCCC2)c1 ZINC000067586050 1409176436 /nfs/dbraw/zinc/17/64/36/1409176436.db2.gz GYQPREBPJDVEQX-ZDUSSCGKSA-N 0 1 397.451 3.443 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1cccs1 ZINC000067588983 1409177080 /nfs/dbraw/zinc/17/70/80/1409177080.db2.gz VYSNMDPBOKZXNA-QGZVFWFLSA-N 0 1 387.484 3.175 20 0 GGADMN O=C(NCc1ccc(-n2ccnc2)c(F)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000067589148 1409177147 /nfs/dbraw/zinc/17/71/47/1409177147.db2.gz GQRKQYZRWWSBKK-IBGZPJMESA-N 0 1 397.454 3.241 20 0 GGADMN CCO[C@H]1CCCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000067589724 1409177341 /nfs/dbraw/zinc/17/73/41/1409177341.db2.gz DTTZPTXKJUFSBF-VQTJNVASSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@@H](c2ccccc2)O1 ZINC000067591650 1409178805 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C[C@H]1CN(c2ccc(CNCc3cc(Br)cs3)cn2)CCO1 ZINC000067669426 1409203682 /nfs/dbraw/zinc/20/36/82/1409203682.db2.gz PTWRZQIWDNNVKG-LBPRGKRZSA-N 0 1 382.327 3.421 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000067678506 1409204741 /nfs/dbraw/zinc/20/47/41/1409204741.db2.gz JUJJXNGSWOHMBO-KRWDZBQOSA-N 0 1 386.452 3.441 20 0 GGADMN Cc1ccc(N2CCCC2)c(C(=O)NC2CCN(Cc3cccnc3)CC2)c1 ZINC000176622361 1428382833 /nfs/dbraw/zinc/38/28/33/1428382833.db2.gz XEIAYYUMQVXVOQ-UHFFFAOYSA-N 0 1 378.520 3.385 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1ccc(OC)cc1OC)c1ccco1 ZINC000067708913 1409211563 /nfs/dbraw/zinc/21/15/63/1409211563.db2.gz SQBZTTRWVRAAPK-QGZVFWFLSA-N 0 1 375.469 3.179 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1cc(C(=O)OC)c(C)o1)c1ccco1 ZINC000067708269 1409211608 /nfs/dbraw/zinc/21/16/08/1409211608.db2.gz KEZDJJHSTNRBJH-KRWDZBQOSA-N 0 1 391.468 3.192 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000067708514 1409211773 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C[C@H]1CN(CCCNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C[C@H](C)O1 ZINC000176666022 1428397296 /nfs/dbraw/zinc/39/72/96/1428397296.db2.gz ORWZTPLCCZOSLN-GJZGRUSLSA-N 0 1 399.495 3.235 20 0 GGADMN CC(C)OCc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000068311699 1409361236 /nfs/dbraw/zinc/36/12/36/1409361236.db2.gz AHIJELVDKFHWEL-JOCHJYFZSA-N 0 1 397.519 3.152 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000068312157 1409362086 /nfs/dbraw/zinc/36/20/86/1409362086.db2.gz WRXFIQVPOSBWDU-AREMUKBSSA-N 0 1 392.952 3.423 20 0 GGADMN CCN(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC000068329623 1409368521 /nfs/dbraw/zinc/36/85/21/1409368521.db2.gz SZBMZXRBSQGAFX-RTWAWAEBSA-N 0 1 379.504 3.100 20 0 GGADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068335368 1409370439 /nfs/dbraw/zinc/37/04/39/1409370439.db2.gz SKTSVXMDGDOGQT-PXNSSMCTSA-N 0 1 377.573 3.184 20 0 GGADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068335369 1409370518 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397.519 3.149 20 0 GGADMN O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000068353679 1409376808 /nfs/dbraw/zinc/37/68/08/1409376808.db2.gz CPXGZBMSBMNMNG-GOSISDBHSA-N 0 1 396.447 3.370 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c1 ZINC000068353378 1409376852 /nfs/dbraw/zinc/37/68/52/1409376852.db2.gz QFHCVCMIJFWYFT-MRXNPFEDSA-N 0 1 384.436 3.164 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C)cc3c[nH]nc32)cc1 ZINC000068353761 1409376975 /nfs/dbraw/zinc/37/69/75/1409376975.db2.gz DXMHBLWVXYFGJU-KRWDZBQOSA-N 0 1 396.472 3.034 20 0 GGADMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000068367109 1409381277 /nfs/dbraw/zinc/38/12/77/1409381277.db2.gz MAXZAMDXZNHQDR-CVEARBPZSA-N 0 1 383.492 3.340 20 0 GGADMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000068367524 1409382008 /nfs/dbraw/zinc/38/20/08/1409382008.db2.gz WXRJOKHGCLUNFW-ZFWWWQNUSA-N 0 1 389.496 3.272 20 0 GGADMN C[C@H](OCC1CC1)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 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378.498 3.274 20 0 GGADMN CN(C)C(=O)CN1CCC(Nc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000068773006 1409489059 /nfs/dbraw/zinc/48/90/59/1409489059.db2.gz DEPJBSRQNYGQKF-UHFFFAOYSA-N 0 1 395.532 3.323 20 0 GGADMN CC(=O)CCc1ccc(O[C@H](C)C(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000068785601 1409491972 /nfs/dbraw/zinc/49/19/72/1409491972.db2.gz UILCYTITFQVEPU-VQIMIIECSA-N 0 1 388.533 3.456 20 0 GGADMN COc1cccc([C@H](CNC(=O)COc2cccc(C(C)=O)c2)N2CCCC2)c1 ZINC000068781993 1409491990 /nfs/dbraw/zinc/49/19/90/1409491990.db2.gz QIQBOWVMXZNQRO-QFIPXVFZSA-N 0 1 396.487 3.230 20 0 GGADMN CCOCCCNC(=O)C1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000068807286 1409496269 /nfs/dbraw/zinc/49/62/69/1409496269.db2.gz DTARBALKAMZBCD-UHFFFAOYSA-N 0 1 380.554 3.172 20 0 GGADMN Fc1ccc(C[N@H+]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737646999 1428408562 /nfs/dbraw/zinc/40/85/62/1428408562.db2.gz BYWJYGZRDHQHTN-UHFFFAOYSA-N 0 1 386.862 3.372 20 0 GGADMN O=C(NC[C@H]1CCCN(CCOCC(F)(F)F)C1)Nc1cccc(F)c1 ZINC000068824575 1409501571 /nfs/dbraw/zinc/50/15/71/1409501571.db2.gz COQVWOXQOVQYMC-CYBMUJFWSA-N 0 1 377.382 3.238 20 0 GGADMN CCCCCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000068825158 1409501650 /nfs/dbraw/zinc/50/16/50/1409501650.db2.gz POKHQHYZWVHBLV-IAGOWNOFSA-N 0 1 392.519 3.354 20 0 GGADMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000068824935 1409501695 /nfs/dbraw/zinc/50/16/95/1409501695.db2.gz DGVIVOYFYNGCBR-JKSUJKDBSA-N 0 1 392.519 3.353 20 0 GGADMN COc1cc(CCNC(=O)CNC2(c3ccccc3)CC2)ccc1OC(F)F ZINC000068825302 1409502203 /nfs/dbraw/zinc/50/22/03/1409502203.db2.gz ITCUDAGAMLJSGZ-UHFFFAOYSA-N 0 1 390.430 3.234 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N(C)CCc2ccccc2F)cc1OC ZINC000068865478 1409510714 /nfs/dbraw/zinc/51/07/14/1409510714.db2.gz SWMMVHBAWBSWOA-INIZCTEOSA-N 0 1 388.483 3.364 20 0 GGADMN COc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2OC)N2CCCC2)cc1 ZINC000068871412 1409512504 /nfs/dbraw/zinc/51/25/04/1409512504.db2.gz GTSVQCDIVGEJDJ-HXUWFJFHSA-N 0 1 398.503 3.344 20 0 GGADMN COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2OC)N2CCCC2)cc1 ZINC000068871409 1409512636 /nfs/dbraw/zinc/51/26/36/1409512636.db2.gz GTSVQCDIVGEJDJ-FQEVSTJZSA-N 0 1 398.503 3.344 20 0 GGADMN COc1cccc([C@@H](CNS(=O)(=O)Cc2cccc(F)c2)N2CCCC2)c1 ZINC000068872888 1409512662 /nfs/dbraw/zinc/51/26/62/1409512662.db2.gz OFTJRMXLIOEPPL-HXUWFJFHSA-N 0 1 392.496 3.091 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000068895904 1409519267 /nfs/dbraw/zinc/51/92/67/1409519267.db2.gz CDOUXSQFZMJJQH-UHFFFAOYSA-N 0 1 383.429 3.498 20 0 GGADMN CC(C)(C)n1ncc2c1nc(NC1CCN(Cc3ccc(F)cc3)CC1)[nH]c2=O ZINC000068899599 1409520278 /nfs/dbraw/zinc/52/02/78/1409520278.db2.gz MYWVUNBFPURCON-UHFFFAOYSA-N 0 1 398.486 3.090 20 0 GGADMN CCCc1cc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000068935984 1409529421 /nfs/dbraw/zinc/52/94/21/1409529421.db2.gz ASKHOMWUOGYVSA-UHFFFAOYSA-N 0 1 389.887 3.396 20 0 GGADMN COCCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000068947672 1409530736 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GGADMN Cc1cc(OC(C)C)ccc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000070750050 1409764585 /nfs/dbraw/zinc/76/45/85/1409764585.db2.gz GKRWJNDSGYIGCC-IBGZPJMESA-N 0 1 395.503 3.111 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000070750057 1409764646 /nfs/dbraw/zinc/76/46/46/1409764646.db2.gz XSSKGULZYUWBGS-LJQANCHMSA-N 0 1 395.503 3.195 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000070750097 1409764814 /nfs/dbraw/zinc/76/48/14/1409764814.db2.gz JEZSGNDMMVDWDK-LJQANCHMSA-N 0 1 395.503 3.113 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000070804923 1409781330 /nfs/dbraw/zinc/78/13/30/1409781330.db2.gz YMFBXSVXHZASFW-PXNSSMCTSA-N 0 1 388.471 3.007 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000070804926 1409781706 /nfs/dbraw/zinc/78/17/06/1409781706.db2.gz YMFBXSVXHZASFW-XLIONFOSSA-N 0 1 388.471 3.007 20 0 GGADMN COc1cc(OCC(=O)Nc2nc(-c3cccs3)n[nH]2)ccc1[N+](=O)[O-] ZINC000070821770 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O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000071113288 1409822198 /nfs/dbraw/zinc/82/21/98/1409822198.db2.gz GBNZOUGLLBNCKM-JMSVASOKSA-N 0 1 396.465 3.194 20 0 GGADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1cccc2nsnc21 ZINC000071258695 1409823051 /nfs/dbraw/zinc/82/30/51/1409823051.db2.gz XNFVRYAVOMSBIH-UHFFFAOYSA-N 0 1 382.474 3.131 20 0 GGADMN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000071122156 1409823129 /nfs/dbraw/zinc/82/31/29/1409823129.db2.gz FQUBZDCOQVQAGE-UHFFFAOYSA-N 0 1 382.508 3.026 20 0 GGADMN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000071794138 1409823939 /nfs/dbraw/zinc/82/39/39/1409823939.db2.gz WUYBATSIJAOUKX-UHFFFAOYSA-N 0 1 395.503 3.439 20 0 GGADMN COc1cc(OC)c(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1OC ZINC000071813114 1409825200 /nfs/dbraw/zinc/82/52/00/1409825200.db2.gz BPNYMTRJCQEACI-UHFFFAOYSA-N 0 1 384.476 3.061 20 0 GGADMN O[C@@H](COCc1ccccc1F)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000071816645 1409825644 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COc1ccc(CN2CCN(C(=O)CN(C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000071951812 1409832710 /nfs/dbraw/zinc/83/27/10/1409832710.db2.gz MICVNJRRGUUMAB-IBGZPJMESA-N 0 1 381.520 3.032 20 0 GGADMN COc1ccccc1CN(C[C@H](O)COc1ccccc1C)C[C@@H]1CCCO1 ZINC000071949933 1409832903 /nfs/dbraw/zinc/83/29/03/1409832903.db2.gz GVJFABISDACABS-SFTDATJTSA-N 0 1 385.504 3.425 20 0 GGADMN COc1ccccc1CN(C[C@@H](O)COc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000071949930 1409832991 /nfs/dbraw/zinc/83/29/91/1409832991.db2.gz CVABQSPDSKGCRX-IRLDBZIGSA-N 0 1 385.504 3.425 20 0 GGADMN Cc1c(O)ccc2c(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc(=O)oc12 ZINC000071956836 1409833254 /nfs/dbraw/zinc/83/32/54/1409833254.db2.gz QNQGZARJBYXVOX-UHFFFAOYSA-N 0 1 388.464 3.296 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)CN1CCC(c2ccc(O)cc2)CC1 ZINC000071968677 1409834574 /nfs/dbraw/zinc/83/45/74/1409834574.db2.gz MAZMWWQSOUPIOE-UHFFFAOYSA-N 0 1 386.467 3.248 20 0 GGADMN C[C@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000072026220 1409838756 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CCC[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)N1CCc2sccc2C1 ZINC000079309578 1409967379 /nfs/dbraw/zinc/96/73/79/1409967379.db2.gz AJIJZZCNBYXSPT-WMZOPIPTSA-N 0 1 391.581 3.182 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000176741624 1428444471 /nfs/dbraw/zinc/44/44/71/1428444471.db2.gz UFINNIMKJXRHGQ-WOJBJXKFSA-N 0 1 375.582 3.228 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)N1CCCCCC1 ZINC000079309017 1409967645 /nfs/dbraw/zinc/96/76/45/1409967645.db2.gz MLULWEHYCFCIBP-HNNXBMFYSA-N 0 1 382.464 3.176 20 0 GGADMN Cc1ccc(SC2(C(=O)NC[C@@H](C)N3CCN(C)CC3)CCCC2)cc1 ZINC000079540239 1409979929 /nfs/dbraw/zinc/97/99/29/1409979929.db2.gz KZHNQWFXEGMSLF-GOSISDBHSA-N 0 1 375.582 3.152 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCSC3(CCCCC3)C2)c1 ZINC000079504433 1409980083 /nfs/dbraw/zinc/98/00/83/1409980083.db2.gz KDXSLBKDQVVGHR-OAHLLOKOSA-N 0 1 375.538 3.125 20 0 GGADMN Cc1ccc(SC2(C(=O)N[C@H](C)CN3CCN(C)CC3)CCCC2)cc1 ZINC000079542317 1409980632 /nfs/dbraw/zinc/98/06/32/1409980632.db2.gz XEOWSSFGFRGREX-GOSISDBHSA-N 0 1 375.582 3.152 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CCc1ccccc1)N1CCN(C)CC1 ZINC000079593869 1409981954 /nfs/dbraw/zinc/98/19/54/1409981954.db2.gz MEABZRYMZHUJPS-FCHUYYIVSA-N 0 1 386.584 3.065 20 0 GGADMN C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000079823029 1409990196 /nfs/dbraw/zinc/99/01/96/1409990196.db2.gz IKZUUUAQEWAQNV-GOSISDBHSA-N 0 1 376.516 3.355 20 0 GGADMN COc1cc(NC2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc(OC)c1 ZINC000079914976 1409992229 /nfs/dbraw/zinc/99/22/29/1409992229.db2.gz NKAVIEINMUWKAR-HNNXBMFYSA-N 0 1 375.513 3.027 20 0 GGADMN COc1cc(NC2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc(OC)c1 ZINC000079914979 1409992467 /nfs/dbraw/zinc/99/24/67/1409992467.db2.gz NKAVIEINMUWKAR-OAHLLOKOSA-N 0 1 375.513 3.027 20 0 GGADMN CN1CCN(C(C)(C)CNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000079955054 1409993455 /nfs/dbraw/zinc/99/34/55/1409993455.db2.gz KGTBYKGKWZYCMZ-GOSISDBHSA-N 0 1 378.536 3.238 20 0 GGADMN CC(C)[C@H](NCC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000079941758 1409993495 /nfs/dbraw/zinc/99/34/95/1409993495.db2.gz DNFHSAGNVATDPL-KXBFYZLASA-N 0 1 379.932 3.144 20 0 GGADMN CN1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000079955106 1409993614 /nfs/dbraw/zinc/99/36/14/1409993614.db2.gz PNIYGFLZFUVFJX-GOSISDBHSA-N 0 1 378.948 3.213 20 0 GGADMN CC(C)[C@@H](NCC(=O)N[C@H](C)C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000079941769 1409993688 /nfs/dbraw/zinc/99/36/88/1409993688.db2.gz DNFHSAGNVATDPL-DNVCBOLYSA-N 0 1 379.932 3.144 20 0 GGADMN CC(C)[C@@H](NCC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000079941762 1409994052 /nfs/dbraw/zinc/99/40/52/1409994052.db2.gz DNFHSAGNVATDPL-HNAYVOBHSA-N 0 1 379.932 3.144 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@H](c1ccccc1)C1CCCC1)N1CCN(C)CC1 ZINC000079955236 1409994081 /nfs/dbraw/zinc/99/40/81/1409994081.db2.gz SFJYKBIJTOBXEE-FGZHOGPDSA-N 0 1 386.584 3.489 20 0 GGADMN c1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(N2CCCCC2)n1 ZINC000826515722 1428446426 /nfs/dbraw/zinc/44/64/26/1428446426.db2.gz IRTRIFWNIPWADC-FQEVSTJZSA-N 0 1 389.507 3.419 20 0 GGADMN CC(C)[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1)N1CCN(C)CC1 ZINC000079955296 1409994678 /nfs/dbraw/zinc/99/46/78/1409994678.db2.gz OWJVINHIWKPBPB-VQIMIIECSA-N 0 1 380.964 3.314 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC(C)(C)c2ncc(C)s2)N(C)C)c1 ZINC000080056956 1409999381 /nfs/dbraw/zinc/99/93/81/1409999381.db2.gz FWFBPRCYZPRPLC-MRXNPFEDSA-N 0 1 376.526 3.297 20 0 GGADMN Cc1cnc(C(C)(C)NC(=O)NCC2(N3CCOCC3)CCCCC2)s1 ZINC000080056085 1409999780 /nfs/dbraw/zinc/99/97/80/1409999780.db2.gz LWUSIFMXEWLSNB-UHFFFAOYSA-N 0 1 380.558 3.021 20 0 GGADMN CCC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1)c1nn[nH]n1 ZINC000176749408 1428447298 /nfs/dbraw/zinc/44/72/98/1428447298.db2.gz FTPWBXNWVLWHFW-INIZCTEOSA-N 0 1 396.426 3.171 20 0 GGADMN C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nnc[nH]1 ZINC000176749185 1428447377 /nfs/dbraw/zinc/44/73/77/1428447377.db2.gz BDECDCMIUYSXEH-LBPRGKRZSA-N 0 1 384.871 3.404 20 0 GGADMN CC[C@@H](C)[C@H](NCc1ccnn1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000080201382 1410003068 /nfs/dbraw/zinc/00/30/68/1410003068.db2.gz FLTSGGIPQWFRSN-GCJKJVERSA-N 0 1 382.552 3.406 20 0 GGADMN CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@@H](CN3CCOCC3)C2)s1 ZINC000080216049 1410003339 /nfs/dbraw/zinc/00/33/39/1410003339.db2.gz YNJPJCVQQZQDDH-MOEXGYKKSA-N 0 1 377.554 3.025 20 0 GGADMN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000080405798 1410004948 /nfs/dbraw/zinc/00/49/48/1410004948.db2.gz NABMSRMOZYCOLN-DLBZAZTESA-N 0 1 381.492 3.094 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nc(C(C)(C)C)no1 ZINC000080656472 1410009204 /nfs/dbraw/zinc/00/92/04/1410009204.db2.gz UOQBCZJBFIBIIT-KBPBESRZSA-N 0 1 375.473 3.157 20 0 GGADMN CCC[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1nn[nH]n1 ZINC000176751716 1428447930 /nfs/dbraw/zinc/44/79/30/1428447930.db2.gz CNAJSMRWBPNQRY-MRXNPFEDSA-N 0 1 378.436 3.032 20 0 GGADMN CC(C)c1nc(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c[nH]1 ZINC000080756963 1410012109 /nfs/dbraw/zinc/01/21/09/1410012109.db2.gz ZZZQSPGKVHMTEG-OAHLLOKOSA-N 0 1 376.526 3.037 20 0 GGADMN Cc1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)n1 ZINC000176752704 1428448340 /nfs/dbraw/zinc/44/83/40/1428448340.db2.gz APAXANIUTMDQMZ-OAHLLOKOSA-N 0 1 385.487 3.472 20 0 GGADMN CCC[C@@H](NC(=O)C=Cc1cccc(OCc2csc(C)n2)c1)c1nn[nH]n1 ZINC000176751161 1428448387 /nfs/dbraw/zinc/44/83/87/1428448387.db2.gz UXAIBRGHDYOGCU-KBOKABMXSA-N 0 1 398.492 3.214 20 0 GGADMN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)c2nnc[nH]2)c1 ZINC000176752489 1428448599 /nfs/dbraw/zinc/44/85/99/1428448599.db2.gz WHBGTMSBTDKVAA-AWEZNQCLSA-N 0 1 388.431 3.157 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000081493889 1410020272 /nfs/dbraw/zinc/02/02/72/1410020272.db2.gz BIQDVQSNEVPKTC-KRWDZBQOSA-N 0 1 378.520 3.034 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCCCO)CC1 ZINC000081542875 1410020841 /nfs/dbraw/zinc/02/08/41/1410020841.db2.gz MXOPDVPKCHXNQI-UHFFFAOYSA-N 0 1 375.557 3.262 20 0 GGADMN Cc1ccc(N2CCN(CCc3nc4ccccc4c(=O)[nH]3)[C@H](C)C2)cc1C ZINC000081535625 1410020978 /nfs/dbraw/zinc/02/09/78/1410020978.db2.gz DCFHQCNPAXROIB-GOSISDBHSA-N 0 1 376.504 3.293 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1nccn1CCc1ccccc1)c1ccccc1 ZINC000081938096 1410025675 /nfs/dbraw/zinc/02/56/75/1410025675.db2.gz QVBAWMKEOARUSW-JOCHJYFZSA-N 0 1 376.504 3.435 20 0 GGADMN CC(C)OCCN1CCC(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000081996874 1410026439 /nfs/dbraw/zinc/02/64/39/1410026439.db2.gz UWBKAVMEMQBVQT-MRXNPFEDSA-N 0 1 378.488 3.040 20 0 GGADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000083189236 1410028695 /nfs/dbraw/zinc/02/86/95/1410028695.db2.gz QIRSGJZVSLAODE-SFHVURJKSA-N 0 1 375.513 3.108 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000083408162 1410029710 /nfs/dbraw/zinc/02/97/10/1410029710.db2.gz ZUAZDNHWHRRQAH-OXJNMPFZSA-N 0 1 378.488 3.005 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000083408168 1410029748 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CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000084763072 1410038348 /nfs/dbraw/zinc/03/83/48/1410038348.db2.gz YQOHMZYUMCBONH-SFHVURJKSA-N 0 1 378.944 3.480 20 0 GGADMN CN1CCN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)C2(CCCCC2)C1 ZINC000176756737 1428450079 /nfs/dbraw/zinc/45/00/79/1428450079.db2.gz VQFUMTIQPHIKMU-UHFFFAOYSA-N 0 1 385.537 3.188 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084900084 1410039278 /nfs/dbraw/zinc/03/92/78/1410039278.db2.gz OIUGIJKWDBZICG-GRYYTAOJSA-N 0 1 384.568 3.290 20 0 GGADMN CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C2(CCCCC2)C1 ZINC000176756625 1428450262 /nfs/dbraw/zinc/45/02/62/1428450262.db2.gz NJKCISFPWJRHAN-HXUWFJFHSA-N 0 1 383.536 3.016 20 0 GGADMN COCCn1c(C)cc(C(=O)CN2CCN(CC3CCCCC3)CC2)c1C ZINC000085788720 1410043009 /nfs/dbraw/zinc/04/30/09/1410043009.db2.gz UNQPVVKYXWRQEE-UHFFFAOYSA-N 0 1 375.557 3.132 20 0 GGADMN CCC(CC)NC(=O)[C@H](C)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000085868425 1410043154 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20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000107205434 1411351397 /nfs/dbraw/zinc/35/13/97/1411351397.db2.gz CDTYTTGVPRFRHP-DLBZAZTESA-N 0 1 391.512 3.322 20 0 GGADMN C[C@H]1CN(CCCNC(=O)C2(c3ccccc3Cl)CCOCC2)C[C@H](C)O1 ZINC000107211207 1411351995 /nfs/dbraw/zinc/35/19/95/1411351995.db2.gz BPSKFHMHWUDHPV-IRXDYDNUSA-N 0 1 394.943 3.004 20 0 GGADMN O=C(N1CCN(C2CCCC2)CC1)C1(c2ccccc2Cl)CCOCC1 ZINC000107215241 1411352471 /nfs/dbraw/zinc/35/24/71/1411352471.db2.gz RRDZZQQISFFAJV-UHFFFAOYSA-N 0 1 376.928 3.475 20 0 GGADMN COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000107222112 1411353113 /nfs/dbraw/zinc/35/31/13/1411353113.db2.gz PINPKTOBZGWRCL-QGZVFWFLSA-N 0 1 382.508 3.049 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107257110 1411354887 /nfs/dbraw/zinc/35/48/87/1411354887.db2.gz DNHBBWPRVVFBLI-YJBOKZPZSA-N 0 1 398.378 3.410 20 0 GGADMN CCc1ccccc1O[C@H](C(=O)N[C@H](C)CN1CCN(C)CC1)c1ccccc1 ZINC000107257235 1411354947 /nfs/dbraw/zinc/35/49/47/1411354947.db2.gz CPWKTNHTKPBTJO-XXBNENTESA-N 0 1 395.547 3.121 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@@H](C)Cc3ccccc3OC)n2)cc1 ZINC000107249021 1411355116 /nfs/dbraw/zinc/35/51/16/1411355116.db2.gz BGUARTYHWFHBGR-HNNXBMFYSA-N 0 1 394.475 3.374 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@@H](C)Cc3ccccc3OC)n[nH]2)cc1 ZINC000107249021 1411355121 /nfs/dbraw/zinc/35/51/21/1411355121.db2.gz BGUARTYHWFHBGR-HNNXBMFYSA-N 0 1 394.475 3.374 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@H](C)Cc3ccccc3OC)n2)cc1 ZINC000107249022 1411355191 /nfs/dbraw/zinc/35/51/91/1411355191.db2.gz BGUARTYHWFHBGR-OAHLLOKOSA-N 0 1 394.475 3.374 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@H](C)Cc3ccccc3OC)n[nH]2)cc1 ZINC000107249022 1411355197 /nfs/dbraw/zinc/35/51/97/1411355197.db2.gz BGUARTYHWFHBGR-OAHLLOKOSA-N 0 1 394.475 3.374 20 0 GGADMN O=C(/C=C/c1cccnc1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000107265723 1411355676 /nfs/dbraw/zinc/35/56/76/1411355676.db2.gz HHJODMSRXHQQRR-BQYQJAHWSA-N 0 1 384.911 3.077 20 0 GGADMN Cc1c(C(=O)N(CCN(C)C)Cc2ccccn2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000107263043 1411355844 /nfs/dbraw/zinc/35/58/44/1411355844.db2.gz KEHZXRSGUYHMFK-UHFFFAOYSA-N 0 1 382.508 3.077 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000107266040 1411356052 /nfs/dbraw/zinc/35/60/52/1411356052.db2.gz KFBHLPWEYRLABG-LEWJYISDSA-N 0 1 398.938 3.167 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2nc3ccccc3o2)C(C)C)cc1 ZINC000107307589 1411359443 /nfs/dbraw/zinc/35/94/43/1411359443.db2.gz GGUMTZKWMNDFQU-SFHVURJKSA-N 0 1 397.475 3.437 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000177025734 1428559296 /nfs/dbraw/zinc/55/92/96/1428559296.db2.gz DQCAKAUALYRESU-CRAIPNDOSA-N 0 1 383.473 3.103 20 0 GGADMN CCNC(=O)COc1cccc(CNCc2ccc(OC)c(OC)c2Cl)c1 ZINC000107315683 1411360713 /nfs/dbraw/zinc/36/07/13/1411360713.db2.gz KCAKPFGRMPTQJP-UHFFFAOYSA-N 0 1 392.883 3.162 20 0 GGADMN Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000107330624 1411361084 /nfs/dbraw/zinc/36/10/84/1411361084.db2.gz YHAIFDVSSHIOKO-GOSISDBHSA-N 0 1 381.524 3.011 20 0 GGADMN Cc1cc(C)cc([C@@H](C)NC(=O)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000107333802 1411361710 /nfs/dbraw/zinc/36/17/10/1411361710.db2.gz ZEJRGROLCXYJRX-GOSISDBHSA-N 0 1 381.524 3.011 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000177025689 1428559620 /nfs/dbraw/zinc/55/96/20/1428559620.db2.gz DQCAKAUALYRESU-YJBOKZPZSA-N 0 1 383.473 3.103 20 0 GGADMN CCC[NH+](CCC)CCCC(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000107344733 1411363403 /nfs/dbraw/zinc/36/34/03/1411363403.db2.gz ADGPVGAZGAGAHU-UHFFFAOYSA-N 0 1 396.586 3.366 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccco1 ZINC000107349739 1411363682 /nfs/dbraw/zinc/36/36/82/1411363682.db2.gz AVAMYPQQQIXRBZ-HNNXBMFYSA-N 0 1 395.862 3.001 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(C)CC1 ZINC000107357912 1411364975 /nfs/dbraw/zinc/36/49/75/1411364975.db2.gz NJPGLRGZLHJOJT-LMMKCTJWSA-N 0 1 398.378 3.485 20 0 GGADMN CCc1ccccc1O[C@H](C(=O)NC[C@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000107359122 1411365284 /nfs/dbraw/zinc/36/52/84/1411365284.db2.gz FTXUKJZOIRNUBO-CVDCTZTESA-N 0 1 395.547 3.121 20 0 GGADMN Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)N3CCN(C)CC3)c(F)c2)cc1C ZINC000107359081 1411365400 /nfs/dbraw/zinc/36/54/00/1411365400.db2.gz HNNXOBFIYGVACQ-GOSISDBHSA-N 0 1 383.511 3.475 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000177026970 1428559895 /nfs/dbraw/zinc/55/98/95/1428559895.db2.gz ORVLKDVFKLEYBA-OAHLLOKOSA-N 0 1 376.497 3.099 20 0 GGADMN COc1cc(F)c(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1OC ZINC000107379545 1411367488 /nfs/dbraw/zinc/36/74/88/1411367488.db2.gz DHVALOLMCVXZKW-CQSZACIVSA-N 0 1 387.455 3.411 20 0 GGADMN COc1cc(F)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC ZINC000107379921 1411367774 /nfs/dbraw/zinc/36/77/74/1411367774.db2.gz JOQKXHKICYQCKG-OAHLLOKOSA-N 0 1 377.416 3.395 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000107383373 1411368641 /nfs/dbraw/zinc/36/86/41/1411368641.db2.gz LAPBFGLIOLTIMU-MRXNPFEDSA-N 0 1 386.471 3.375 20 0 GGADMN CCCCN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000107398131 1411371507 /nfs/dbraw/zinc/37/15/07/1411371507.db2.gz OEXOYNNURRQABK-NRFANRHFSA-N 0 1 396.535 3.281 20 0 GGADMN CCCOc1ccc(CNC(=O)c2ccc(CN3CCSCC3)cc2)cn1 ZINC000107511121 1411383879 /nfs/dbraw/zinc/38/38/79/1411383879.db2.gz ATYBOHLNRGVFSK-UHFFFAOYSA-N 0 1 385.533 3.349 20 0 GGADMN O=C(Nc1cccc(Oc2ccncc2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000177030849 1428561762 /nfs/dbraw/zinc/56/17/62/1428561762.db2.gz BZZHHPQCGWMQHC-KRWDZBQOSA-N 0 1 382.464 3.060 20 0 GGADMN C[C@@H]1CCC[N@H+](CCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000107628940 1411393911 /nfs/dbraw/zinc/39/39/11/1411393911.db2.gz TXJVXZXIHDYGGH-CYBMUJFWSA-N 0 1 393.944 3.109 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000107628940 1411393921 /nfs/dbraw/zinc/39/39/21/1411393921.db2.gz TXJVXZXIHDYGGH-CYBMUJFWSA-N 0 1 393.944 3.109 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C[C@@H]1CCCOC1 ZINC000107694349 1411398895 /nfs/dbraw/zinc/39/88/95/1411398895.db2.gz VWSCWCYCKIQOSV-KRWDZBQOSA-N 0 1 381.476 3.236 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C[C@H]1CCCOC1 ZINC000107691843 1411399084 /nfs/dbraw/zinc/39/90/84/1411399084.db2.gz MKHYWASOHKKVHJ-WBVHZDCISA-N 0 1 387.505 3.377 20 0 GGADMN O=C(N1CCN(C2CCCC2)CC1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000107698452 1411399473 /nfs/dbraw/zinc/39/94/73/1411399473.db2.gz GSRNVBHNYZWPCE-UHFFFAOYSA-N 0 1 384.520 3.356 20 0 GGADMN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C[C@@H]1CCCOC1 ZINC000107695791 1411399723 /nfs/dbraw/zinc/39/97/23/1411399723.db2.gz GGURSHVDMUYZMY-HNNXBMFYSA-N 0 1 387.505 3.297 20 0 GGADMN O=C(CN1CCCCCCC1=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000107706472 1411400128 /nfs/dbraw/zinc/40/01/28/1411400128.db2.gz QTUIYUXSRHCGMQ-UHFFFAOYSA-N 0 1 393.531 3.277 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3occc3-c3ccccc3)ccn2)CC1 ZINC000107713949 1411401308 /nfs/dbraw/zinc/40/13/08/1411401308.db2.gz AWGFQNJQVYDUQC-UHFFFAOYSA-N 0 1 376.460 3.023 20 0 GGADMN COCc1cc(CNC(=O)NC[C@@H](C)N2CCc3ccccc3C2)ccc1F ZINC000107728250 1411402722 /nfs/dbraw/zinc/40/27/22/1411402722.db2.gz ASBFICCMTMJSEI-MRXNPFEDSA-N 0 1 385.483 3.218 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107771577 1411409023 /nfs/dbraw/zinc/40/90/23/1411409023.db2.gz ULIMZNPXBGDTGP-DOTOQJQBSA-N 0 1 382.851 3.009 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)N(C)C)c1 ZINC000107777879 1411409521 /nfs/dbraw/zinc/40/95/21/1411409521.db2.gz OVCVVJCCIWXMDD-OAQYLSRUSA-N 0 1 391.471 3.083 20 0 GGADMN CCOCCN(CC)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000107805041 1411412556 /nfs/dbraw/zinc/41/25/56/1411412556.db2.gz BZIUBPSESJCRDN-UHFFFAOYSA-N 0 1 382.936 3.372 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 ZINC000107819706 1411414649 /nfs/dbraw/zinc/41/46/49/1411414649.db2.gz NYGPUSBAOPUMKN-QGZVFWFLSA-N 0 1 379.476 3.189 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCCCNC(=O)C2CCC2)c1 ZINC000177042027 1428565401 /nfs/dbraw/zinc/56/54/01/1428565401.db2.gz VNZSRDWOALEHLC-UHFFFAOYSA-N 0 1 393.531 3.355 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000177043725 1428565855 /nfs/dbraw/zinc/56/58/55/1428565855.db2.gz SBEZWKPRJLUNPG-OAHLLOKOSA-N 0 1 381.904 3.313 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000177043088 1428565888 /nfs/dbraw/zinc/56/58/88/1428565888.db2.gz SWYSITUIBDUQMI-UHFFFAOYSA-N 0 1 385.464 3.183 20 0 GGADMN CCOCCCNC(=O)C1CCN(Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000108103621 1411438717 /nfs/dbraw/zinc/43/87/17/1411438717.db2.gz UEBPLSKKWZYBRX-UHFFFAOYSA-N 0 1 385.508 3.405 20 0 GGADMN CN(CCNC(=O)CCCc1nnc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000177047164 1428567539 /nfs/dbraw/zinc/56/75/39/1428567539.db2.gz SSALEANUPGFXJH-UHFFFAOYSA-N 0 1 396.466 3.447 20 0 GGADMN C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000108246312 1411457913 /nfs/dbraw/zinc/45/79/13/1411457913.db2.gz AOTMDDRVBUSIST-ZBFHGGJFSA-N 0 1 388.537 3.238 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)c1cccs1 ZINC000177049092 1428568210 /nfs/dbraw/zinc/56/82/10/1428568210.db2.gz GGNMZSGBIAYJEN-PMPSAXMXSA-N 0 1 377.510 3.242 20 0 GGADMN CN(CCNC(=O)CCc1nnc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000177050573 1428569145 /nfs/dbraw/zinc/56/91/45/1428569145.db2.gz PGDRDHVGTSWONL-UHFFFAOYSA-N 0 1 382.439 3.057 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cccc2c1OCO2)N1CCCCC1 ZINC000108324137 1411474138 /nfs/dbraw/zinc/47/41/38/1411474138.db2.gz AMYGNUMJVMBEOW-GOSISDBHSA-N 0 1 382.460 3.381 20 0 GGADMN COc1cccc(CN(C)C(=O)CN2CCC(N(C)c3ccccc3)CC2)c1 ZINC000108361409 1411481056 /nfs/dbraw/zinc/48/10/56/1411481056.db2.gz YUOPABCWYLEZMT-UHFFFAOYSA-N 0 1 381.520 3.254 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108386290 1411483763 /nfs/dbraw/zinc/48/37/63/1411483763.db2.gz FTIAANUEVLSSPJ-BTYIYWSLSA-N 0 1 388.458 3.415 20 0 GGADMN 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392.862 3.032 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000112870566 1412227895 /nfs/dbraw/zinc/22/78/95/1412227895.db2.gz RBZCLBHPCWJQNN-CYBMUJFWSA-N 0 1 392.862 3.032 20 0 GGADMN COc1ccccc1NCC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000112874407 1412228735 /nfs/dbraw/zinc/22/87/35/1412228735.db2.gz MILVQNSCDGNUMB-HXUWFJFHSA-N 0 1 397.519 3.459 20 0 GGADMN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000112906377 1412235542 /nfs/dbraw/zinc/23/55/42/1412235542.db2.gz YLPMMVSRBJPBKA-LJQANCHMSA-N 0 1 377.444 3.342 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)N1CCN(C)CC1 ZINC000112914886 1412237888 /nfs/dbraw/zinc/23/78/88/1412237888.db2.gz YNTHLQPBEBFJEK-OAQYLSRUSA-N 0 1 381.520 3.481 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccccc1Nc1ccccc1)N1CCN(C)CC1 ZINC000112914728 1412237990 /nfs/dbraw/zinc/23/79/90/1412237990.db2.gz URFYGYVFXXQYHQ-JOCHJYFZSA-N 0 1 380.536 3.432 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)N1CCN(C)CC1 ZINC000112914743 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20 0 GGADMN COC[C@H]1CCCN([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000112987090 1412250680 /nfs/dbraw/zinc/25/06/80/1412250680.db2.gz UGBLIAKKKZVZCG-AVRDEDQJSA-N 0 1 396.487 3.131 20 0 GGADMN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)CC1CC1 ZINC000112983322 1412250800 /nfs/dbraw/zinc/25/08/00/1412250800.db2.gz RJOBBTZNTINMKU-UHFFFAOYSA-N 0 1 375.494 3.498 20 0 GGADMN COC[C@H]1CCCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)C1 ZINC000112988934 1412251358 /nfs/dbraw/zinc/25/13/58/1412251358.db2.gz KAJXSOBVONRKMV-HTAPYJJXSA-N 0 1 390.524 3.020 20 0 GGADMN COC[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000112990877 1412251407 /nfs/dbraw/zinc/25/14/07/1412251407.db2.gz LNCMEWYRFUJWKP-OAHLLOKOSA-N 0 1 387.505 3.297 20 0 GGADMN COC[C@H]1CCCN(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)C1 ZINC000112988933 1412251438 /nfs/dbraw/zinc/25/14/38/1412251438.db2.gz KAJXSOBVONRKMV-JTSKRJEESA-N 0 1 390.524 3.020 20 0 GGADMN COC[C@@H]1CCCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000112990483 1412251707 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20 0 GGADMN COc1cc2nc(CN3CCC[C@H]3Cc3ccc(C)cc3)[nH]c(=O)c2cc1OC ZINC000113263853 1412285236 /nfs/dbraw/zinc/28/52/36/1412285236.db2.gz BPPPLDRBMGFAKW-KRWDZBQOSA-N 0 1 393.487 3.456 20 0 GGADMN Cc1ccc(C[C@@H]2CCCN2CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000113263958 1412285609 /nfs/dbraw/zinc/28/56/09/1412285609.db2.gz PMOCRIOSIPMEAJ-SFHVURJKSA-N 0 1 397.544 3.218 20 0 GGADMN Cc1ccc(C[C@@H]2CCCN2Cc2nnc3n2c2ccccc2c(=O)n3C)cc1 ZINC000113264580 1412286398 /nfs/dbraw/zinc/28/63/98/1412286398.db2.gz VGDNOHMBXIJLPH-SFHVURJKSA-N 0 1 387.487 3.097 20 0 GGADMN CN(CCc1ccc(Cl)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000113265866 1412286638 /nfs/dbraw/zinc/28/66/38/1412286638.db2.gz PAAZAGIJVULZQT-UHFFFAOYSA-N 0 1 387.911 3.290 20 0 GGADMN Cc1ccc(F)c(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000113302793 1412288905 /nfs/dbraw/zinc/28/89/05/1412288905.db2.gz DKKOGCKCSWFHPH-UHFFFAOYSA-N 0 1 376.497 3.419 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000113302779 1412288989 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COc1ccccc1CC(=O)N1CCC(NCc2csc(C3CC3)n2)CC1 ZINC000113331582 1412294519 /nfs/dbraw/zinc/29/45/19/1412294519.db2.gz BKHGKCLPHJREJV-UHFFFAOYSA-N 0 1 385.533 3.352 20 0 GGADMN CN(C)C(=O)C1(CNCc2csc(-c3ccc4c(c3)OCO4)n2)CCCC1 ZINC000113348506 1412296000 /nfs/dbraw/zinc/29/60/00/1412296000.db2.gz IZMXYAVSKIGHPH-UHFFFAOYSA-N 0 1 387.505 3.277 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)NCc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000113349889 1412296325 /nfs/dbraw/zinc/29/63/25/1412296325.db2.gz BWTOOBIXHKDAOM-QGZVFWFLSA-N 0 1 376.522 3.190 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000113351748 1412296351 /nfs/dbraw/zinc/29/63/51/1412296351.db2.gz MTLWTROMSFVTRA-JTQLQIEISA-N 0 1 385.390 3.011 20 0 GGADMN CCS(=O)(=O)C[C@H](C)NCc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000113349697 1412296505 /nfs/dbraw/zinc/29/65/05/1412296505.db2.gz JHJKXZZRTSNGGE-HNNXBMFYSA-N 0 1 377.506 3.284 20 0 GGADMN O=C(NCc1ccncc1)Nc1cccc(CNCc2cnc3ccccn23)c1 ZINC000113355238 1412297200 /nfs/dbraw/zinc/29/72/00/1412297200.db2.gz YELBIEOKGQWIOZ-UHFFFAOYSA-N 0 1 386.459 3.341 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCC(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000113386111 1412302259 /nfs/dbraw/zinc/30/22/59/1412302259.db2.gz YZNDJBDMRGKDDT-GOSISDBHSA-N 0 1 384.480 3.053 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCC(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000113386113 1412302482 /nfs/dbraw/zinc/30/24/82/1412302482.db2.gz YZNDJBDMRGKDDT-SFHVURJKSA-N 0 1 384.480 3.053 20 0 GGADMN CCOC[C@H](O)CN1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000113504376 1412311470 /nfs/dbraw/zinc/31/14/70/1412311470.db2.gz JDNVTRZBPSHQBM-GOSISDBHSA-N 0 1 387.455 3.225 20 0 GGADMN CCOC[C@H](O)CN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000113504435 1412311512 /nfs/dbraw/zinc/31/15/12/1412311512.db2.gz GUMBNDQITUNJIA-MRXNPFEDSA-N 0 1 387.455 3.225 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H](COC)C2)CC1 ZINC000113530039 1412311763 /nfs/dbraw/zinc/31/17/63/1412311763.db2.gz BWKFWPPWBIPGGM-INIZCTEOSA-N 0 1 394.947 3.372 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000113532846 1412312550 /nfs/dbraw/zinc/31/25/50/1412312550.db2.gz UTPGSIMFEVGVRN-UHFFFAOYSA-N 0 1 395.507 3.141 20 0 GGADMN CC(=O)Nc1ccc(F)c(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000113536813 1412313084 /nfs/dbraw/zinc/31/30/84/1412313084.db2.gz YEXNUIJOICTQPJ-UHFFFAOYSA-N 0 1 399.470 3.488 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000113545102 1412313955 /nfs/dbraw/zinc/31/39/55/1412313955.db2.gz JPJXEKBVZCFMRN-UHFFFAOYSA-N 0 1 395.507 3.141 20 0 GGADMN COc1cccc(CNC(=O)NCCCc2cn[nH]c2C)c1OC1CCCC1 ZINC000113575251 1412317404 /nfs/dbraw/zinc/31/74/04/1412317404.db2.gz DCNSYRLWSSSFPL-UHFFFAOYSA-N 0 1 386.496 3.480 20 0 GGADMN COC[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)C1 ZINC000113578824 1412317932 /nfs/dbraw/zinc/31/79/32/1412317932.db2.gz ZTBVXUYXOXWSMM-WIYYLYMNSA-N 0 1 389.540 3.290 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@](C)(c2ccccc2)C1)N1CCN(C)CC1 ZINC000113587421 1412318933 /nfs/dbraw/zinc/31/89/33/1412318933.db2.gz MMOZLGIHLBQSLJ-GMAHTHKFSA-N 0 1 386.584 3.022 20 0 GGADMN CCCN(CCc1cccc(F)c1)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000113587328 1412319049 /nfs/dbraw/zinc/31/90/49/1412319049.db2.gz HEIYWRYPWQKOQJ-OAQYLSRUSA-N 0 1 392.563 3.062 20 0 GGADMN Cc1[nH]c(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2)nc1Cc1ccccc1 ZINC000113636773 1412325153 /nfs/dbraw/zinc/32/51/53/1412325153.db2.gz MZAHWAGNMYUYOK-HNNXBMFYSA-N 0 1 383.473 3.110 20 0 GGADMN Cc1[nH]c(S(=O)(=O)Cc2cn3cccc(C)c3n2)nc1Cc1ccccc1 ZINC000113636724 1412325385 /nfs/dbraw/zinc/32/53/85/1412325385.db2.gz SMDAAHYVFWUFPW-UHFFFAOYSA-N 0 1 380.473 3.239 20 0 GGADMN COc1cc2[nH]c(CCCNC(=O)c3[nH]nc4c3CCCC4)cc2c(OC)c1 ZINC000177230701 1428642656 /nfs/dbraw/zinc/64/26/56/1428642656.db2.gz VXDZFULEFKILQV-UHFFFAOYSA-N 0 1 382.464 3.150 20 0 GGADMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccnn1-c1ccccc1C ZINC000113700876 1412335018 /nfs/dbraw/zinc/33/50/18/1412335018.db2.gz XXPJBIWJKUNUTI-UHFFFAOYSA-N 0 1 385.445 3.077 20 0 GGADMN O=C1[C@@H](Sc2nc(C3CC3)n[nH]2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000113773388 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COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCc3ccccc3C2)N(C)C)c1 ZINC000114583369 1412466260 /nfs/dbraw/zinc/46/62/60/1412466260.db2.gz XXQMSKWPEPPSPI-UNMCSNQZSA-N 0 1 381.520 3.497 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1cc(C(C)C)no1)N1CCCC1 ZINC000114583230 1412466891 /nfs/dbraw/zinc/46/68/91/1412466891.db2.gz TZPYFFQKEZGOJW-IBGZPJMESA-N 0 1 386.496 3.443 20 0 GGADMN CN(C(=O)NC1CCN(Cc2ccccn2)CC1)[C@H]1CCc2ccccc2C1 ZINC000114586397 1412467983 /nfs/dbraw/zinc/46/79/83/1412467983.db2.gz SCOAHWQUDFHEMY-QFIPXVFZSA-N 0 1 378.520 3.245 20 0 GGADMN CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000114585278 1412468293 /nfs/dbraw/zinc/46/82/93/1412468293.db2.gz HSLSQYFPIMNIAU-NRFANRHFSA-N 0 1 393.535 3.052 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@](C)(O)c1ccc(F)cc1F)c1ccco1 ZINC000114592427 1412469451 /nfs/dbraw/zinc/46/94/51/1412469451.db2.gz QKIGCKBZIHUXLR-XLIONFOSSA-N 0 1 395.450 3.148 20 0 GGADMN CCC(O)(CC)CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604089 1412472301 /nfs/dbraw/zinc/47/23/01/1412472301.db2.gz BZGCWGYPFDUUQW-MRXNPFEDSA-N 0 1 387.446 3.130 20 0 GGADMN CCC(O)(CC)CNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604091 1412472498 /nfs/dbraw/zinc/47/24/98/1412472498.db2.gz BZGCWGYPFDUUQW-INIZCTEOSA-N 0 1 387.446 3.130 20 0 GGADMN CCCCN(CCO)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604225 1412472946 /nfs/dbraw/zinc/47/29/46/1412472946.db2.gz TZFDVPCNNRIKRT-QGZVFWFLSA-N 0 1 387.446 3.084 20 0 GGADMN CN(C[C@H]1CCCOC1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604297 1412472989 /nfs/dbraw/zinc/47/29/89/1412472989.db2.gz SNAOCMZZIAMLDI-SJLPKXTDSA-N 0 1 399.457 3.348 20 0 GGADMN CN(C[C@H]1CCCOC1)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604301 1412473367 /nfs/dbraw/zinc/47/33/67/1412473367.db2.gz SNAOCMZZIAMLDI-AEFFLSMTSA-N 0 1 399.457 3.348 20 0 GGADMN Cc1c(C(=O)N2CCCN(C)CC2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000114675545 1412495031 /nfs/dbraw/zinc/49/50/31/1412495031.db2.gz XXCSSXLYCAZZDS-UHFFFAOYSA-N 0 1 375.476 3.020 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000114706130 1412505448 /nfs/dbraw/zinc/50/54/48/1412505448.db2.gz JXZJIUHHMKOWLJ-OAHLLOKOSA-N 0 1 379.439 3.130 20 0 GGADMN COc1ccc(CN(C)C(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000114721238 1412510541 /nfs/dbraw/zinc/51/05/41/1412510541.db2.gz ZWQKPVPOTMUSJF-UHFFFAOYSA-N 0 1 392.503 3.410 20 0 GGADMN COc1cccc(NC2CCN([C@H](C)C(=O)NCCc3cccs3)CC2)c1 ZINC000114722370 1412510622 /nfs/dbraw/zinc/51/06/22/1412510622.db2.gz FPYKYMNMTIEUQH-MRXNPFEDSA-N 0 1 387.549 3.380 20 0 GGADMN COc1cccc(NC2CCN([C@@H](C)C(=O)NCCc3ccccc3)CC2)c1 ZINC000114722358 1412510873 /nfs/dbraw/zinc/51/08/73/1412510873.db2.gz XTMPXCFTFWGRLJ-SFHVURJKSA-N 0 1 381.520 3.319 20 0 GGADMN COc1ccc([C@@H]2CCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000114724598 1412511957 /nfs/dbraw/zinc/51/19/57/1412511957.db2.gz SISCNPHZWMHGCX-SFHVURJKSA-N 0 1 379.460 3.357 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000114723299 1412512145 /nfs/dbraw/zinc/51/21/45/1412512145.db2.gz BFYZFYJGLCSEBM-NSHDSACASA-N 0 1 389.452 3.032 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)CC(C)(C)O ZINC000114727951 1412512580 /nfs/dbraw/zinc/51/25/80/1412512580.db2.gz RYTSTLUPWHZPEO-QGZVFWFLSA-N 0 1 397.519 3.161 20 0 GGADMN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)c1 ZINC000114750742 1412518780 /nfs/dbraw/zinc/51/87/80/1412518780.db2.gz ICHNYSRIOBGHHO-HOTGVXAUSA-N 0 1 384.476 3.227 20 0 GGADMN COc1ccc(CNCc2ccc(N3CCO[C@H](C)C3)nc2)c(OC(F)F)c1 ZINC000114758754 1412520812 /nfs/dbraw/zinc/52/08/12/1412520812.db2.gz UASVGHBQBACOAS-CQSZACIVSA-N 0 1 393.434 3.207 20 0 GGADMN COc1ccc(CNCc2ccccc2N2CCOCC2)c(OC(F)F)c1 ZINC000114765568 1412521004 /nfs/dbraw/zinc/52/10/04/1412521004.db2.gz IPKXTOMENOSUSS-UHFFFAOYSA-N 0 1 378.419 3.423 20 0 GGADMN CC(C)(C)[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177263892 1428660531 /nfs/dbraw/zinc/66/05/31/1428660531.db2.gz IVJXYJLYOGXZTQ-HNAYVOBHSA-N 0 1 395.494 3.416 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC(F)F ZINC000114839971 1412536748 /nfs/dbraw/zinc/53/67/48/1412536748.db2.gz IWJUWDPGPMJCHF-ZDUSSCGKSA-N 0 1 397.447 3.016 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114842887 1412538348 /nfs/dbraw/zinc/53/83/48/1412538348.db2.gz DBJIPZUBLXEPAQ-IBGZPJMESA-N 0 1 395.503 3.193 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F ZINC000114843190 1412538732 /nfs/dbraw/zinc/53/87/32/1412538732.db2.gz OFPKGBNNPKJDBL-INIZCTEOSA-N 0 1 389.858 3.198 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114843327 1412539224 /nfs/dbraw/zinc/53/92/24/1412539224.db2.gz UZQZWKPWCKDAFX-LJQANCHMSA-N 0 1 395.503 3.113 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000114843053 1412539234 /nfs/dbraw/zinc/53/92/34/1412539234.db2.gz BIGMZTYVJJQDKW-HXUWFJFHSA-N 0 1 395.503 3.193 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114843371 1412539324 /nfs/dbraw/zinc/53/93/24/1412539324.db2.gz OJUUOTRDDHLHHM-QGZVFWFLSA-N 0 1 383.517 3.128 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000114843216 1412539441 /nfs/dbraw/zinc/53/94/41/1412539441.db2.gz KHFVRRRTYFHMEA-FQEVSTJZSA-N 0 1 397.544 3.269 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)N2CCCC2)c1 ZINC000114914162 1412547154 /nfs/dbraw/zinc/54/71/54/1412547154.db2.gz VZRYHTKQVIHFFM-WIYYLYMNSA-N 0 1 397.523 3.144 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)c2)CC1 ZINC000115042994 1412576549 /nfs/dbraw/zinc/57/65/49/1412576549.db2.gz HPJQKERKJATVMK-UHFFFAOYSA-N 0 1 380.467 3.236 20 0 GGADMN CCN(Cc1ccccn1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000177270493 1428664756 /nfs/dbraw/zinc/66/47/56/1428664756.db2.gz ZRUVENPMHPOIJN-RTBURBONSA-N 0 1 396.535 3.423 20 0 GGADMN CCN(Cc1ccccn1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177270477 1428664782 /nfs/dbraw/zinc/66/47/82/1428664782.db2.gz ZRUVENPMHPOIJN-KDURUIRLSA-N 0 1 396.535 3.423 20 0 GGADMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000115311863 1412643586 /nfs/dbraw/zinc/64/35/86/1412643586.db2.gz LMPWWOORKJQPLY-UHFFFAOYSA-N 0 1 394.880 3.367 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000115321867 1412647302 /nfs/dbraw/zinc/64/73/02/1412647302.db2.gz PYCYPYHITLLLEF-MRXNPFEDSA-N 0 1 387.484 3.024 20 0 GGADMN O=C(C[C@H]1OCCc2ccccc21)NCCCN1CCN(c2ccccc2)CC1 ZINC000115331258 1412649478 /nfs/dbraw/zinc/64/94/78/1412649478.db2.gz ARJOETXBKAOKQB-HSZRJFAPSA-N 0 1 393.531 3.019 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)C1(c2cccc(F)c2)CC1 ZINC000115331261 1412649992 /nfs/dbraw/zinc/64/99/92/1412649992.db2.gz CQOBVCGLGFTJNM-UHFFFAOYSA-N 0 1 381.495 3.186 20 0 GGADMN CCc1c(NC(=O)c2sc(-c3cnn(C)c3)nc2C)[nH]nc1-c1ccncc1 ZINC000115361530 1412659295 /nfs/dbraw/zinc/65/92/95/1412659295.db2.gz BMXHZEISMZDIHY-UHFFFAOYSA-N 0 1 393.476 3.452 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(F)c(CN(C)C)c2)CC1=O ZINC000115415897 1412671078 /nfs/dbraw/zinc/67/10/78/1412671078.db2.gz ISRMZBSKMCGGQJ-OXQOHEQNSA-N 0 1 397.494 3.113 20 0 GGADMN CSc1cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)ccc1NC(C)=O ZINC000115415738 1412671412 /nfs/dbraw/zinc/67/14/12/1412671412.db2.gz CJGHHUWJAPVCGF-UHFFFAOYSA-N 0 1 389.496 3.498 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000115443381 1412677080 /nfs/dbraw/zinc/67/70/80/1412677080.db2.gz HAENLSBMNHQORC-MRXNPFEDSA-N 0 1 387.553 3.106 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000115443381 1412677090 /nfs/dbraw/zinc/67/70/90/1412677090.db2.gz HAENLSBMNHQORC-MRXNPFEDSA-N 0 1 387.553 3.106 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000115451847 1412679824 /nfs/dbraw/zinc/67/98/24/1412679824.db2.gz NFCMXJNLWIGRCR-NVXWUHKLSA-N 0 1 376.460 3.087 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000115451850 1412680199 /nfs/dbraw/zinc/68/01/99/1412680199.db2.gz NFCMXJNLWIGRCR-DOTOQJQBSA-N 0 1 376.460 3.087 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000115454849 1412681597 /nfs/dbraw/zinc/68/15/97/1412681597.db2.gz GYDGRFKVWOQIOY-CZUORRHYSA-N 0 1 379.485 3.240 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCSC[C@H]2c2ccccc2)n[nH]1 ZINC000115474361 1412685449 /nfs/dbraw/zinc/68/54/49/1412685449.db2.gz GZYJDXNPGYEMBR-SFHVURJKSA-N 0 1 381.505 3.357 20 0 GGADMN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000115475764 1412685577 /nfs/dbraw/zinc/68/55/77/1412685577.db2.gz ZVJCPOCUYSGMJM-MRXNPFEDSA-N 0 1 380.467 3.331 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000115487259 1412690309 /nfs/dbraw/zinc/69/03/09/1412690309.db2.gz HLLIFJZMXAVPJH-UHFFFAOYSA-N 0 1 396.491 3.440 20 0 GGADMN O=C(CC1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1)N1CCCC1 ZINC000115535835 1412702126 /nfs/dbraw/zinc/70/21/26/1412702126.db2.gz DVUCRQNRYLCGDH-HXUWFJFHSA-N 0 1 387.499 3.046 20 0 GGADMN O=C1[C@@H](N2CCN(CCc3ccccc3)CC2)CCCN1c1cccc(F)c1 ZINC000115533374 1412702324 /nfs/dbraw/zinc/70/23/24/1412702324.db2.gz PYDAVEAKEFVUMB-QFIPXVFZSA-N 0 1 381.495 3.181 20 0 GGADMN O=C(CC1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1)N1CCCC1 ZINC000115535831 1412702696 /nfs/dbraw/zinc/70/26/96/1412702696.db2.gz DVUCRQNRYLCGDH-FQEVSTJZSA-N 0 1 387.499 3.046 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000115544728 1412706137 /nfs/dbraw/zinc/70/61/37/1412706137.db2.gz YHZNMZJUXVSEIG-VQIMIIECSA-N 0 1 389.515 3.195 20 0 GGADMN COc1cc2nc(CN3C[C@@H](c4ccccc4)C[C@@H]3C)[nH]c(=O)c2cc1OC ZINC000115552369 1412706650 /nfs/dbraw/zinc/70/66/50/1412706650.db2.gz QSGKJKUPSSBOQV-HOCLYGCPSA-N 0 1 379.460 3.318 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000115553321 1412706755 /nfs/dbraw/zinc/70/67/55/1412706755.db2.gz WRHDFHJFAKFXGK-UGKGYDQZSA-N 0 1 399.579 3.265 20 0 GGADMN COc1cc(CNC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000115553056 1412707328 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c1cnc2cccc(NC3CC[NH+](Cc4ccc(-c5nn[n-]n5)cc4)CC3)c2c1 ZINC000826516966 1428710792 /nfs/dbraw/zinc/71/07/92/1428710792.db2.gz KGQQHVYZZIXKFC-UHFFFAOYSA-N 0 1 385.475 3.491 20 0 GGADMN C[C@@](NC[C@@H](O)c1ccc(Cl)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177378697 1428710859 /nfs/dbraw/zinc/71/08/59/1428710859.db2.gz ZNCBUFWCHYKIJM-WBVHZDCISA-N 0 1 386.801 3.383 20 0 GGADMN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118801244 1413223462 /nfs/dbraw/zinc/22/34/62/1413223462.db2.gz DLAPWBYIRKOZRZ-OAHLLOKOSA-N 0 1 384.480 3.281 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000118806824 1413226404 /nfs/dbraw/zinc/22/64/04/1413226404.db2.gz YZTGSCGQCHRKCJ-QGZVFWFLSA-N 0 1 388.512 3.001 20 0 GGADMN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118806774 1413226584 /nfs/dbraw/zinc/22/65/84/1413226584.db2.gz CJKAULIERCUPKD-CYBMUJFWSA-N 0 1 387.402 3.003 20 0 GGADMN O=C(Nc1cccc(-c2nccs2)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118810067 1413228676 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CCN1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000118835012 1413237647 /nfs/dbraw/zinc/23/76/47/1413237647.db2.gz YKZAMGDYIGQNDX-GJZGRUSLSA-N 0 1 399.366 3.032 20 0 GGADMN O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)N[C@H]1CCOc2ccccc21 ZINC000118837252 1413240093 /nfs/dbraw/zinc/24/00/93/1413240093.db2.gz UVALSSYDKTWWBV-FQEVSTJZSA-N 0 1 390.487 3.382 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000118837038 1413240139 /nfs/dbraw/zinc/24/01/39/1413240139.db2.gz VUACIACLCDGLCZ-XXBNENTESA-N 0 1 392.547 3.344 20 0 GGADMN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837741 1413241006 /nfs/dbraw/zinc/24/10/06/1413241006.db2.gz DHUWFGHDVZCUBX-BEFAXECRSA-N 0 1 397.523 3.147 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C ZINC000118839252 1413241405 /nfs/dbraw/zinc/24/14/05/1413241405.db2.gz NNTAXZGMFFZVIY-NRFANRHFSA-N 0 1 382.508 3.152 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)N1CCN(c2ccccc2F)CC1)C(C)C ZINC000118840076 1413241882 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C[C@H](C(=O)NCCC1=CCCCC1)N1CCC(CN2CCCCC2=O)CC1 ZINC000118851840 1413247396 /nfs/dbraw/zinc/24/73/96/1413247396.db2.gz BGELREGWCJOJGE-GOSISDBHSA-N 0 1 375.557 3.106 20 0 GGADMN CC[C@@H](O)CN1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000118858100 1413248516 /nfs/dbraw/zinc/24/85/16/1413248516.db2.gz JJMODKXOMTXBMH-XJKSGUPXSA-N 0 1 398.429 3.205 20 0 GGADMN COc1cc(NC2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc(OC)c1 ZINC000177371920 1428707919 /nfs/dbraw/zinc/70/79/19/1428707919.db2.gz KKBIAMQESFXIAK-JOCHJYFZSA-N 0 1 397.519 3.410 20 0 GGADMN COc1ccccc1CCNC(=O)CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000118867284 1413252572 /nfs/dbraw/zinc/25/25/72/1413252572.db2.gz FACMPXRIPMGJSK-OAQYLSRUSA-N 0 1 381.520 3.257 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000118867353 1413253762 /nfs/dbraw/zinc/25/37/62/1413253762.db2.gz MFYDYPIGERWJOX-NRFANRHFSA-N 0 1 394.519 3.230 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000177371688 1428708080 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3.281 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000118964581 1413277955 /nfs/dbraw/zinc/27/79/55/1413277955.db2.gz QUCQOCZVXJCGQA-IFMALSPDSA-N 0 1 394.519 3.266 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000118964445 1413278157 /nfs/dbraw/zinc/27/81/57/1413278157.db2.gz QUCQOCZVXJCGQA-IRLDBZIGSA-N 0 1 394.519 3.266 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000826351039 1428715093 /nfs/dbraw/zinc/71/50/93/1428715093.db2.gz VLTKBUPIKJGPMQ-QGPMSJSTSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000826351039 1428715095 /nfs/dbraw/zinc/71/50/95/1428715095.db2.gz VLTKBUPIKJGPMQ-QGPMSJSTSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000826351039 1428715097 /nfs/dbraw/zinc/71/50/97/1428715097.db2.gz VLTKBUPIKJGPMQ-QGPMSJSTSA-N 0 1 395.898 3.238 20 0 GGADMN COc1ccc(OC(F)F)c(CN[C@@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000118977759 1413286338 /nfs/dbraw/zinc/28/63/38/1413286338.db2.gz DKYBUEMIXOLFQX-LBPRGKRZSA-N 0 1 375.379 3.123 20 0 GGADMN C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000118983341 1413288795 /nfs/dbraw/zinc/28/87/95/1413288795.db2.gz WDQQKASVOVOJST-CTNGQTDRSA-N 0 1 380.573 3.465 20 0 GGADMN CCN(CC)[C@@H](C(=O)NCc1cnn(C)c1C)c1cccc(C(F)(F)F)c1 ZINC000118986905 1413291380 /nfs/dbraw/zinc/29/13/80/1413291380.db2.gz GOBFSRNOXNFLHB-QGZVFWFLSA-N 0 1 382.430 3.447 20 0 GGADMN O=C(CN1CCC[C@H](Cn2ccnn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000118990053 1413293440 /nfs/dbraw/zinc/29/34/40/1413293440.db2.gz YMTNDYCBTUMHLO-PGRDOPGGSA-N 0 1 381.524 3.038 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4c(F)cc(F)cc4C3)n2)cc1 ZINC000119012147 1413303385 /nfs/dbraw/zinc/30/33/85/1413303385.db2.gz MVZTZSAMVGNIDE-UHFFFAOYSA-N 0 1 399.401 3.026 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4c(F)cc(F)cc4C3)n[nH]2)cc1 ZINC000119012147 1413303394 /nfs/dbraw/zinc/30/33/94/1413303394.db2.gz MVZTZSAMVGNIDE-UHFFFAOYSA-N 0 1 399.401 3.026 20 0 GGADMN CC(C)CCC[C@@H](C)NC(=O)CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119011498 1413303623 /nfs/dbraw/zinc/30/36/23/1413303623.db2.gz UMNPZEJMWHEQEB-HZPDHXFCSA-N 0 1 383.558 3.040 20 0 GGADMN CC(C)CCC[C@H](C)NC(=O)CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119011399 1413303720 /nfs/dbraw/zinc/30/37/20/1413303720.db2.gz UMNPZEJMWHEQEB-HOTGVXAUSA-N 0 1 383.558 3.040 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCC[C@H]3c3cccc(C)n3)n2)cc1 ZINC000119013532 1413304205 /nfs/dbraw/zinc/30/42/05/1413304205.db2.gz VYAYLPDSGOAMJB-SFHVURJKSA-N 0 1 392.463 3.230 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCC[C@H]3c3cccc(C)n3)n[nH]2)cc1 ZINC000119013532 1413304214 /nfs/dbraw/zinc/30/42/14/1413304214.db2.gz VYAYLPDSGOAMJB-SFHVURJKSA-N 0 1 392.463 3.230 20 0 GGADMN COc1ccsc1S(=O)(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000119043804 1413314227 /nfs/dbraw/zinc/31/42/27/1413314227.db2.gz LXISIPBSGXGPAF-UHFFFAOYSA-N 0 1 394.562 3.086 20 0 GGADMN CCc1noc(C)c1CN(C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000119042327 1413314694 /nfs/dbraw/zinc/31/46/94/1413314694.db2.gz JDKORRAWKUGDRD-SFHVURJKSA-N 0 1 389.496 3.154 20 0 GGADMN CC(C)C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccccn1 ZINC000119044389 1413315054 /nfs/dbraw/zinc/31/50/54/1413315054.db2.gz HRVOWFVJBFTVOI-FQEVSTJZSA-N 0 1 381.524 3.055 20 0 GGADMN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119062598 1413321870 /nfs/dbraw/zinc/32/18/70/1413321870.db2.gz LIHINXKTGKADPM-KGLIPLIRSA-N 0 1 381.402 3.036 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCc2c1cccc2Cl ZINC000119067501 1413324496 /nfs/dbraw/zinc/32/44/96/1413324496.db2.gz YHICDFPDPSWJOV-UHFFFAOYSA-N 0 1 385.876 3.318 20 0 GGADMN CN(CCC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000119073723 1413326473 /nfs/dbraw/zinc/32/64/73/1413326473.db2.gz OJDSPQUXCHAYAR-UHFFFAOYSA-N 0 1 393.503 3.163 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000119079491 1413328377 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PGEDELLUIJGKIH-HNAYVOBHSA-N 0 1 383.467 3.106 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCSc3ccccn3)cc2)C[C@@H](C)O1 ZINC000119370030 1413426975 /nfs/dbraw/zinc/42/69/75/1413426975.db2.gz CIBXKHZYKZGHCN-QZTJIDSGSA-N 0 1 399.560 3.489 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3c(F)cccc3F)cc2)C[C@H](C)O1 ZINC000119370898 1413426998 /nfs/dbraw/zinc/42/69/98/1413426998.db2.gz SXENTLQKOYLISU-HOTGVXAUSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2)C[C@H](C)O1 ZINC000119371194 1413427389 /nfs/dbraw/zinc/42/73/89/1413427389.db2.gz WCLLAISGHRJXEP-IYBDPMFKSA-N 0 1 388.458 3.433 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(F)cc3NC3CC3)c2)CC1 ZINC000119383113 1413430958 /nfs/dbraw/zinc/43/09/58/1413430958.db2.gz LPKBCXUAZIEXDK-UHFFFAOYSA-N 0 1 382.483 3.400 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000119390285 1413432172 /nfs/dbraw/zinc/43/21/72/1413432172.db2.gz GHMAZMFUDZIAKL-KRWDZBQOSA-N 0 1 377.960 3.195 20 0 GGADMN 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C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000120736242 1413888660 /nfs/dbraw/zinc/88/86/60/1413888660.db2.gz YIIUVPDUVIAIQM-HOCLYGCPSA-N 0 1 381.314 3.081 20 0 GGADMN COCCc1ccc(Oc2ccc(NC(=O)NCCc3nc[nH]n3)cc2)cc1 ZINC000120751754 1413892806 /nfs/dbraw/zinc/89/28/06/1413892806.db2.gz QLIFOFXBOPYQLL-UHFFFAOYSA-N 0 1 381.436 3.150 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)Nc3cccc(-c4nc(C)cs4)c3)CCO2)n[nH]1 ZINC000120756010 1413893716 /nfs/dbraw/zinc/89/37/16/1413893716.db2.gz AXFHPJGPHVRQDF-OAHLLOKOSA-N 0 1 398.492 3.404 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)Nc3cccc(-c4nc(C)cs4)c3)CCO2)n[nH]1 ZINC000120755848 1413893753 /nfs/dbraw/zinc/89/37/53/1413893753.db2.gz AXFHPJGPHVRQDF-HNNXBMFYSA-N 0 1 398.492 3.404 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)N1CCN(Cc2cccs2)CC1)C(C)C ZINC000120766881 1413896614 /nfs/dbraw/zinc/89/66/14/1413896614.db2.gz OIOPSQGVHWRDNN-FQEVSTJZSA-N 0 1 386.565 3.083 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000120775231 1413898994 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CC[C@](C)(NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1nc(C)cs1 ZINC000177489770 1428765012 /nfs/dbraw/zinc/76/50/12/1428765012.db2.gz ULSJHFRPVICLQH-IBGZPJMESA-N 0 1 389.525 3.059 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177489564 1428765119 /nfs/dbraw/zinc/76/51/19/1428765119.db2.gz LTSRCJZUGBWGHZ-LBPRGKRZSA-N 0 1 390.434 3.350 20 0 GGADMN CC(C)(C)c1ccc(O)c(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000120824507 1413915896 /nfs/dbraw/zinc/91/58/96/1413915896.db2.gz NIQZBRCQHDYJGL-UHFFFAOYSA-N 0 1 382.508 3.236 20 0 GGADMN Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1C ZINC000120829176 1413917904 /nfs/dbraw/zinc/91/79/04/1413917904.db2.gz FEBKHBSGJOQIAD-UHFFFAOYSA-N 0 1 398.488 3.347 20 0 GGADMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000120840628 1413922558 /nfs/dbraw/zinc/92/25/58/1413922558.db2.gz IRAKGWQQVLPQLD-IBGZPJMESA-N 0 1 381.520 3.020 20 0 GGADMN C[C@H]1Oc2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2NC1=O ZINC000120850147 1413926052 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O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120887678 1413937978 /nfs/dbraw/zinc/93/79/78/1413937978.db2.gz GZVPCBHJMDXZAZ-LBPRGKRZSA-N 0 1 378.835 3.260 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)CCc3ccc(F)cc3F)n2)c(OC)c1 ZINC000120891091 1413939424 /nfs/dbraw/zinc/93/94/24/1413939424.db2.gz QQFCBFJZZDQXBG-UHFFFAOYSA-N 0 1 388.374 3.338 20 0 GGADMN O=C(CCCOCCc1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120891980 1413939878 /nfs/dbraw/zinc/93/98/78/1413939878.db2.gz RUUMGXZSGSMMEN-IBGZPJMESA-N 0 1 382.508 3.428 20 0 GGADMN CCOc1ncc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl ZINC000120897694 1413941724 /nfs/dbraw/zinc/94/17/24/1413941724.db2.gz VFIHZMDPOIXAHO-GFCCVEGCSA-N 0 1 375.860 3.149 20 0 GGADMN O=C(CN1CCC(OCC2CCCC2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000177493177 1428768172 /nfs/dbraw/zinc/76/81/72/1428768172.db2.gz BZPYSYVJFHGPQZ-INIZCTEOSA-N 0 1 376.463 3.459 20 0 GGADMN COc1ccc(COCCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000120917862 1413947729 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GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000121718010 1414234639 /nfs/dbraw/zinc/23/46/39/1414234639.db2.gz KSZXOKRHSRODCC-UHFFFAOYSA-N 0 1 387.553 3.154 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](OCC(C)C)C2)N2CCCC2)cc1 ZINC000177553739 1428791436 /nfs/dbraw/zinc/79/14/36/1428791436.db2.gz VKTUOQXKCMCUSX-SFTDATJTSA-N 0 1 389.540 3.289 20 0 GGADMN CC[C@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCCO1 ZINC000121736722 1414241100 /nfs/dbraw/zinc/24/11/00/1414241100.db2.gz ICDRMSPKRJCANB-BJLQDIEVSA-N 0 1 375.513 3.089 20 0 GGADMN Cc1cc(N2CCN(Cc3ccccc3N3CCOCC3)CC2)nc(C(C)C)n1 ZINC000121737664 1414241145 /nfs/dbraw/zinc/24/11/45/1414241145.db2.gz YGHNBOGPMZTVQN-UHFFFAOYSA-N 0 1 395.551 3.067 20 0 GGADMN O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccco1)NC(=O)Nc1ccccc1 ZINC000121739306 1414242150 /nfs/dbraw/zinc/24/21/50/1414242150.db2.gz ILVBDRVZJGBXLH-ROUUACIJSA-N 0 1 385.464 3.296 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3[O-])cc2)CC1 ZINC000121741474 1414242736 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CCC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(SC)c2)CCN1CCOC ZINC000121833568 1414272871 /nfs/dbraw/zinc/27/28/71/1414272871.db2.gz CFKORHSMYZKZBE-FUHWJXTLSA-N 0 1 379.570 3.168 20 0 GGADMN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc21 ZINC000121843616 1414276501 /nfs/dbraw/zinc/27/65/01/1414276501.db2.gz LBACCOAOBAZZSV-UHFFFAOYSA-N 0 1 382.388 3.319 20 0 GGADMN CCC[C@@H]1CN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CCN1CCOC ZINC000121845756 1414276900 /nfs/dbraw/zinc/27/69/00/1414276900.db2.gz VODVLQHUVXBWEZ-UXHICEINSA-N 0 1 395.975 3.340 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000121858588 1414280883 /nfs/dbraw/zinc/28/08/83/1414280883.db2.gz CKDMIVIJBFESFV-CTNGQTDRSA-N 0 1 397.519 3.478 20 0 GGADMN Cc1c(C(=O)N2CCC(CN3CCOCC3)CC2)cccc1-c1ccccn1 ZINC000121864343 1414282837 /nfs/dbraw/zinc/28/28/37/1414282837.db2.gz CXVVDNGJPVKQEY-UHFFFAOYSA-N 0 1 379.504 3.241 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN[C@H]3CC(=O)N(C(C)(C)C)C3)c2)cc1 ZINC000177564333 1428795423 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GGADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)CNC(=O)c3ccccc3)n2)cc1 ZINC000121934637 1414313812 /nfs/dbraw/zinc/31/38/12/1414313812.db2.gz LWAXVCUKPZJBGZ-UHFFFAOYSA-N 0 1 377.448 3.138 20 0 GGADMN CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000820038213 1428797617 /nfs/dbraw/zinc/79/76/17/1428797617.db2.gz LUAQOXXYLFXFBJ-ZDUSSCGKSA-N 0 1 388.541 3.114 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)CCCc2nc(C(C)(C)C)no2)cc1F ZINC000121943113 1414316751 /nfs/dbraw/zinc/31/67/51/1414316751.db2.gz KTVHPGUXHJOGRP-UHFFFAOYSA-N 0 1 376.476 3.207 20 0 GGADMN O=C(Nc1ccccc1)c1nnc(CN2CCN(CC3CCCCC3)CC2)s1 ZINC000121945212 1414317988 /nfs/dbraw/zinc/31/79/88/1414317988.db2.gz AZXTXFAEGYDUJZ-UHFFFAOYSA-N 0 1 399.564 3.488 20 0 GGADMN CC(C)Oc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000121981846 1414330830 /nfs/dbraw/zinc/33/08/30/1414330830.db2.gz CMVJFHPRXKRKGO-KNQAVFIVSA-N 0 1 397.519 3.478 20 0 GGADMN CCC[C@@H]1CN(CC(=O)N2CCc3sccc3[C@@H]2CC)CCN1CCOC ZINC000121983214 1414330962 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COc1ccc(Oc2cc(CNC(=O)N3CCN(CC4CC4)CC3)ccn2)cc1 ZINC000122025240 1414342916 /nfs/dbraw/zinc/34/29/16/1414342916.db2.gz DPCQBYLSYAUORT-UHFFFAOYSA-N 0 1 396.491 3.120 20 0 GGADMN CC(C)(C)OC(=O)NCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000177574488 1428800175 /nfs/dbraw/zinc/80/01/75/1428800175.db2.gz XUTVYJLRDNTMMD-UHFFFAOYSA-N 0 1 395.301 3.454 20 0 GGADMN O=C(c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1F)N1CCCC1 ZINC000122025751 1414343642 /nfs/dbraw/zinc/34/36/42/1414343642.db2.gz XAQUTNWVILWUFZ-UHFFFAOYSA-N 0 1 387.436 3.344 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820562158 1428801339 /nfs/dbraw/zinc/80/13/39/1428801339.db2.gz DPJMJKRBNGFUQD-WQIZZMQYSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820562158 1428801343 /nfs/dbraw/zinc/80/13/43/1428801343.db2.gz DPJMJKRBNGFUQD-WQIZZMQYSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820562158 1428801349 /nfs/dbraw/zinc/80/13/49/1428801349.db2.gz DPJMJKRBNGFUQD-WQIZZMQYSA-N 0 1 399.520 3.066 20 0 GGADMN O=C(Nc1ccc(CN2CCOC2=O)cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000122076108 1414356577 /nfs/dbraw/zinc/35/65/77/1414356577.db2.gz MBBVMVORARZGRP-HXUWFJFHSA-N 0 1 379.460 3.242 20 0 GGADMN O=C(Nc1ccc(CN2CCOC2=O)cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000122076362 1414356664 /nfs/dbraw/zinc/35/66/64/1414356664.db2.gz MBBVMVORARZGRP-FQEVSTJZSA-N 0 1 379.460 3.242 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000122080535 1414357939 /nfs/dbraw/zinc/35/79/39/1414357939.db2.gz FHMQVUJIYAEAPE-NRFANRHFSA-N 0 1 399.510 3.031 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(C)nc2Br)n1 ZINC000122094892 1414361494 /nfs/dbraw/zinc/36/14/94/1414361494.db2.gz BULLQZYYOWHAMX-UHFFFAOYSA-N 0 1 388.225 3.199 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NCc3ccc(CN(C)C)c(F)c3)cc2NC1=O ZINC000122100744 1414362901 /nfs/dbraw/zinc/36/29/01/1414362901.db2.gz KFRWOUIDGLJWFF-LBPRGKRZSA-N 0 1 387.480 3.250 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Cc2csc(-c3ccccn3)n2)cc1F ZINC000122104815 1414363971 /nfs/dbraw/zinc/36/39/71/1414363971.db2.gz KOEHBIGECGMYOL-UHFFFAOYSA-N 0 1 384.480 3.265 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1F ZINC000122110238 1414364648 /nfs/dbraw/zinc/36/46/48/1414364648.db2.gz BPBVWRXZXUCLKC-FQEVSTJZSA-N 0 1 386.467 3.375 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177584018 1428802917 /nfs/dbraw/zinc/80/29/17/1428802917.db2.gz RYELHPUXEGMDRY-GHTZIAJQSA-N 0 1 386.536 3.404 20 0 GGADMN CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000122154453 1414375793 /nfs/dbraw/zinc/37/57/93/1414375793.db2.gz PLNDCVNRICEDGK-UHFFFAOYSA-N 0 1 382.464 3.109 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177582706 1428803201 /nfs/dbraw/zinc/80/32/01/1428803201.db2.gz GTLZDNQORUNWCM-DENIHFKCSA-N 0 1 388.552 3.392 20 0 GGADMN CCC(=O)Nc1ccc(Cl)c(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000122170080 1414379046 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CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177588257 1428804413 /nfs/dbraw/zinc/80/44/13/1428804413.db2.gz DYDQCFNCMFLGAO-RTWAWAEBSA-N 0 1 390.524 3.462 20 0 GGADMN O=C(CCOC1CCOCC1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000177595366 1428806435 /nfs/dbraw/zinc/80/64/35/1428806435.db2.gz NZPVEJUWSLWPJN-IBGZPJMESA-N 0 1 380.916 3.179 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(C)cc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122228581 1414394959 /nfs/dbraw/zinc/39/49/59/1414394959.db2.gz GGGMMUIQTPAZMO-LJQANCHMSA-N 0 1 395.503 3.065 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000122226843 1414395045 /nfs/dbraw/zinc/39/50/45/1414395045.db2.gz KKSGWISBXVQISB-FQEVSTJZSA-N 0 1 395.503 3.147 20 0 GGADMN Cc1[nH]c(=O)c(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1-c1ccccc1 ZINC000122231607 1414395974 /nfs/dbraw/zinc/39/59/74/1414395974.db2.gz RBSMLOPSJNUCGN-UHFFFAOYSA-N 0 1 393.462 3.481 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(F)ccc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122234098 1414396069 /nfs/dbraw/zinc/39/60/69/1414396069.db2.gz ZMHSOHRJISJFJP-IBGZPJMESA-N 0 1 383.467 3.196 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(F)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122236732 1414396813 /nfs/dbraw/zinc/39/68/13/1414396813.db2.gz KCFFCSITIQNOPM-LJQANCHMSA-N 0 1 383.467 3.196 20 0 GGADMN CCN(C(=O)C(=O)Nc1c(C)cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122242874 1414399207 /nfs/dbraw/zinc/39/92/07/1414399207.db2.gz GETKYVOIPAERRP-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccc(F)cc1 ZINC000177589284 1428804955 /nfs/dbraw/zinc/80/49/55/1428804955.db2.gz XDAYYRIHWKRYRM-FIKGOQFSSA-N 0 1 392.515 3.442 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(C)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122259338 1414404067 /nfs/dbraw/zinc/40/40/67/1414404067.db2.gz FWTQPHITVWTKCK-LJQANCHMSA-N 0 1 383.467 3.196 20 0 GGADMN O=C(CN1CCCCC[C@H]1/C=C/c1ccccc1)NCCCN1CCCC1=O ZINC000122262429 1414404620 /nfs/dbraw/zinc/40/46/20/1414404620.db2.gz FZNPVACRULZOLJ-ARKBFRDHSA-N 0 1 383.536 3.073 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(C)cc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122264018 1414405454 /nfs/dbraw/zinc/40/54/54/1414405454.db2.gz VUGLBGSISZTCKM-HXUWFJFHSA-N 0 1 383.467 3.196 20 0 GGADMN COc1ccccc1[C@@H]1CCN(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000122273459 1414407299 /nfs/dbraw/zinc/40/72/99/1414407299.db2.gz XLGYOJKLYDGDMD-HXUWFJFHSA-N 0 1 379.504 3.252 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122274160 1414408181 /nfs/dbraw/zinc/40/81/81/1414408181.db2.gz BUUQOBFLFKPVBA-LJQANCHMSA-N 0 1 385.895 3.402 20 0 GGADMN CC(=O)N[C@H]1CCCN(C(=O)CN2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000122274728 1414408497 /nfs/dbraw/zinc/40/84/97/1414408497.db2.gz GHATURXQPWXNFF-KMWGMXNCSA-N 0 1 383.536 3.072 20 0 GGADMN CCCc1nnc(SCC(=O)Nc2cccc(CN3CCSCC3)c2)o1 ZINC000122274392 1414408522 /nfs/dbraw/zinc/40/85/22/1414408522.db2.gz VMZJSAGPPJITRL-UHFFFAOYSA-N 0 1 392.550 3.302 20 0 GGADMN CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000122280461 1414409976 /nfs/dbraw/zinc/40/99/76/1414409976.db2.gz IBLGXWOBYXCVMQ-CRAIPNDOSA-N 0 1 379.932 3.098 20 0 GGADMN CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000122280010 1414409993 /nfs/dbraw/zinc/40/99/93/1414409993.db2.gz IBLGXWOBYXCVMQ-QAPCUYQASA-N 0 1 379.932 3.098 20 0 GGADMN O=C(CN1CCCCC[C@@H]1/C=C/c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000122279949 1414410025 /nfs/dbraw/zinc/41/00/25/1414410025.db2.gz QWWMJKGHIFPXTB-RQWLHQTBSA-N 0 1 384.520 3.310 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000122280240 1414410099 /nfs/dbraw/zinc/41/00/99/1414410099.db2.gz IBLGXWOBYXCVMQ-MAUKXSAKSA-N 0 1 379.932 3.098 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000122279724 1414410185 /nfs/dbraw/zinc/41/01/85/1414410185.db2.gz IBLGXWOBYXCVMQ-YJBOKZPZSA-N 0 1 379.932 3.098 20 0 GGADMN CCCOc1ccc([C@H](C)NC(=O)N2CCN(CC3CC3)CC2)cc1OC ZINC000122285981 1414412115 /nfs/dbraw/zinc/41/21/15/1414412115.db2.gz AGTWLYQNBICXKE-INIZCTEOSA-N 0 1 375.513 3.282 20 0 GGADMN Cc1ccc([C@@H](CN[C@@H](C)CS(=O)(=O)c2ccccc2)N2CCCC2)o1 ZINC000122289994 1414414127 /nfs/dbraw/zinc/41/41/27/1414414127.db2.gz CHJRFXMNNIBUSA-QFBILLFUSA-N 0 1 376.522 3.177 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)C1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000122298628 1414416173 /nfs/dbraw/zinc/41/61/73/1414416173.db2.gz NMFPWVGLRZJINR-KRWDZBQOSA-N 0 1 377.847 3.258 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(OC)cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122302883 1414417529 /nfs/dbraw/zinc/41/75/29/1414417529.db2.gz DZUDGECOANNAFE-IBGZPJMESA-N 0 1 395.503 3.065 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(OC)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122302646 1414417902 /nfs/dbraw/zinc/41/79/02/1414417902.db2.gz DZUDGECOANNAFE-LJQANCHMSA-N 0 1 395.503 3.065 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC(c3ccccc3)CC2)CC1 ZINC000122309473 1414419989 /nfs/dbraw/zinc/41/99/89/1414419989.db2.gz NQZXCQMNFURYHE-UHFFFAOYSA-N 0 1 399.579 3.267 20 0 GGADMN COCCOc1ccc(CNC(=O)CN2CCC(c3ccccc3)CC2)cc1 ZINC000122308719 1414420019 /nfs/dbraw/zinc/42/00/19/1414420019.db2.gz XDGFPCWAOYTSMT-UHFFFAOYSA-N 0 1 382.504 3.208 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(F)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122310452 1414420489 /nfs/dbraw/zinc/42/04/89/1414420489.db2.gz ZETBARJFGJCWHV-KRWDZBQOSA-N 0 1 387.430 3.026 20 0 GGADMN CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000122311361 1414420508 /nfs/dbraw/zinc/42/05/08/1414420508.db2.gz QNKGNCGSCUYUQW-FQEVSTJZSA-N 0 1 395.503 3.147 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN1CCC[C@H]1c1cccc(C)c1C)c1ccccc1 ZINC000122312263 1414420706 /nfs/dbraw/zinc/42/07/06/1414420706.db2.gz VSENNOVCKVRQGM-UNMCSNQZSA-N 0 1 379.504 3.044 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccc(Cl)c2ccccc21 ZINC000122315299 1414421268 /nfs/dbraw/zinc/42/12/68/1414421268.db2.gz AVGCCMQPTGQTNP-UHFFFAOYSA-N 0 1 385.836 3.270 20 0 GGADMN Fc1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(-c2nnn[n-]2)c1 ZINC000826375535 1428807944 /nfs/dbraw/zinc/80/79/44/1428807944.db2.gz RJIIXABIYBWAPN-UHFFFAOYSA-N 0 1 392.482 3.498 20 0 GGADMN Fc1ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(-c2nn[n-]n2)c1 ZINC000826375535 1428807951 /nfs/dbraw/zinc/80/79/51/1428807951.db2.gz RJIIXABIYBWAPN-UHFFFAOYSA-N 0 1 392.482 3.498 20 0 GGADMN Fc1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(-c2nn[n-]n2)c1 ZINC000826375535 1428807956 /nfs/dbraw/zinc/80/79/56/1428807956.db2.gz RJIIXABIYBWAPN-UHFFFAOYSA-N 0 1 392.482 3.498 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)NC[C@H](O)c1ccco1 ZINC000122378548 1414440098 /nfs/dbraw/zinc/44/00/98/1414440098.db2.gz NTVCFOITBJQCLV-IRXDYDNUSA-N 0 1 377.872 3.103 20 0 GGADMN COc1ccc([C@H](CNC(=O)COc2cccc(C(C)=O)c2)N2CCCC2)cc1 ZINC000122378785 1414440335 /nfs/dbraw/zinc/44/03/35/1414440335.db2.gz PINOONWVDAWOHV-QFIPXVFZSA-N 0 1 396.487 3.230 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1C ZINC000122383693 1414442118 /nfs/dbraw/zinc/44/21/18/1414442118.db2.gz SXQMVYAOAXTFOB-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000122396991 1414445276 /nfs/dbraw/zinc/44/52/76/1414445276.db2.gz LXDKDVSMWUTBFH-GOSISDBHSA-N 0 1 379.460 3.499 20 0 GGADMN O=C(CCOC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000122406476 1414448927 /nfs/dbraw/zinc/44/89/27/1414448927.db2.gz BMZWHPUOIPZVAL-PGRDOPGGSA-N 0 1 379.460 3.354 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000122411586 1414451676 /nfs/dbraw/zinc/45/16/76/1414451676.db2.gz AADBADHTPNIRNX-YVEFUNNKSA-N 0 1 388.316 3.479 20 0 GGADMN O=C(CN1CCC2(CC1)OCCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000122439392 1414460532 /nfs/dbraw/zinc/46/05/32/1414460532.db2.gz LESNPCUFBWHQAL-UHFFFAOYSA-N 0 1 398.425 3.035 20 0 GGADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000122448457 1414463460 /nfs/dbraw/zinc/46/34/60/1414463460.db2.gz PASQYYVWYRDITG-UHFFFAOYSA-N 0 1 397.866 3.483 20 0 GGADMN CCOc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)c1 ZINC000122454392 1414465887 /nfs/dbraw/zinc/46/58/87/1414465887.db2.gz NDNOUDUPBIWNGX-KNQAVFIVSA-N 0 1 397.519 3.398 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000122460984 1414468518 /nfs/dbraw/zinc/46/85/18/1414468518.db2.gz PAHLQTMPHISNBG-KDOFPFPSSA-N 0 1 382.476 3.020 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3sc(C)nc3CC(C)C)cc21 ZINC000122471940 1414472551 /nfs/dbraw/zinc/47/25/51/1414472551.db2.gz ZDVFXTWGDKTKJG-UHFFFAOYSA-N 0 1 393.534 3.360 20 0 GGADMN COc1ccc2c(CN3CCC(OC[C@@H]4CCCCO4)CC3)cc(=O)oc2c1 ZINC000177618068 1428812336 /nfs/dbraw/zinc/81/23/36/1428812336.db2.gz RCJMHYVSCMJUNY-IBGZPJMESA-N 0 1 387.476 3.352 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000122489975 1414479642 /nfs/dbraw/zinc/47/96/42/1414479642.db2.gz MUWRRVPZJNKJIU-SJCJKPOMSA-N 0 1 388.316 3.479 20 0 GGADMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177616174 1428811659 /nfs/dbraw/zinc/81/16/59/1428811659.db2.gz JHWDIESNJJLBQC-LPHOPBHVSA-N 0 1 392.565 3.071 20 0 GGADMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)cc1 ZINC000122503952 1414483793 /nfs/dbraw/zinc/48/37/93/1414483793.db2.gz FHSXLXFGPVKMFK-UHFFFAOYSA-N 0 1 395.550 3.129 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000122513727 1414486983 /nfs/dbraw/zinc/48/69/83/1414486983.db2.gz FSIRSMAFILACSP-IRXDYDNUSA-N 0 1 391.512 3.180 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnc(C(F)(F)F)nc2)N2CCCC2)c1 ZINC000122528939 1414491608 /nfs/dbraw/zinc/49/16/08/1414491608.db2.gz LMXCQRMCEZVWPX-INIZCTEOSA-N 0 1 394.397 3.071 20 0 GGADMN CC[C@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000122543761 1414495296 /nfs/dbraw/zinc/49/52/96/1414495296.db2.gz IAYCJAJBRXYGAL-JWWGGVBKSA-N 0 1 389.540 3.053 20 0 GGADMN Cc1cc(CCCC(=O)NCc2cccnc2N2CCN(C)CC2)c(C)s1 ZINC000177621157 1428813295 /nfs/dbraw/zinc/81/32/95/1428813295.db2.gz WVGBCNCTHKWKBL-UHFFFAOYSA-N 0 1 386.565 3.151 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000122551194 1414498166 /nfs/dbraw/zinc/49/81/66/1414498166.db2.gz IULKKOCKWDJTOW-QHCPKHFHSA-N 0 1 395.547 3.087 20 0 GGADMN CC(C)[C@@H](CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1)N1CCN(C)CC1 ZINC000122566738 1414503047 /nfs/dbraw/zinc/50/30/47/1414503047.db2.gz DYJLMUWYNIAJSB-IEBWSBKVSA-N 0 1 386.540 3.407 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3cccc(COCC4CC4)c3)cc2[nH]c1=S ZINC000122584659 1414508884 /nfs/dbraw/zinc/50/88/84/1414508884.db2.gz FWMHNRTXCZGINM-UHFFFAOYSA-N 0 1 395.484 3.401 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)c1ccco1 ZINC000122590868 1414510176 /nfs/dbraw/zinc/51/01/76/1414510176.db2.gz OAFRICASXHAARA-HOTGVXAUSA-N 0 1 388.516 3.212 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(OCCCOC)CC2)cc1 ZINC000122625223 1414521753 /nfs/dbraw/zinc/52/17/53/1414521753.db2.gz RDNVCMXWMRRFMO-ZWKOTPCHSA-N 0 1 376.541 3.332 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000122634914 1414524196 /nfs/dbraw/zinc/52/41/96/1414524196.db2.gz HSWHRJISYLQKDP-UHFFFAOYSA-N 0 1 393.413 3.174 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc(OCCF)c3)n2)cc1 ZINC000122636591 1414524951 /nfs/dbraw/zinc/52/49/51/1414524951.db2.gz IUHXSUMXZALIBY-UHFFFAOYSA-N 0 1 385.399 3.150 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cccc(OCCF)c3)n[nH]2)cc1 ZINC000122636591 1414524956 /nfs/dbraw/zinc/52/49/56/1414524956.db2.gz IUHXSUMXZALIBY-UHFFFAOYSA-N 0 1 385.399 3.150 20 0 GGADMN CCOCc1ccccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000122638696 1414525648 /nfs/dbraw/zinc/52/56/48/1414525648.db2.gz VURPMEYIPLHKON-HNNXBMFYSA-N 0 1 377.506 3.486 20 0 GGADMN COC(=O)c1nn(CN2CC[C@@H](COCc3ccccc3)C2)c2ccccc21 ZINC000177627116 1428815603 /nfs/dbraw/zinc/81/56/03/1428815603.db2.gz FLRSMJIKKOBRAJ-GOSISDBHSA-N 0 1 379.460 3.319 20 0 GGADMN C[C@H](C1CC1)N(CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccccc1 ZINC000122721287 1414548486 /nfs/dbraw/zinc/54/84/86/1414548486.db2.gz LNCCSJIHAMPCJK-OAHLLOKOSA-N 0 1 394.454 3.041 20 0 GGADMN COCCCOC1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000122734512 1414552168 /nfs/dbraw/zinc/55/21/68/1414552168.db2.gz PVYQJEOCCWKAGF-INIZCTEOSA-N 0 1 382.932 3.377 20 0 GGADMN CC1=C(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCCO1 ZINC000122739601 1414553288 /nfs/dbraw/zinc/55/32/88/1414553288.db2.gz RTHSQRWAMNKUTC-UHFFFAOYSA-N 0 1 392.503 3.427 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000122758664 1414557564 /nfs/dbraw/zinc/55/75/64/1414557564.db2.gz WUAFRHOYQRHNDD-UHFFFAOYSA-N 0 1 390.852 3.089 20 0 GGADMN CCOC(=O)N[C@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000122811615 1414570468 /nfs/dbraw/zinc/57/04/68/1414570468.db2.gz ZCLORYPJNQZSSJ-HNNXBMFYSA-N 0 1 378.860 3.143 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)[nH]1 ZINC000122823595 1414573798 /nfs/dbraw/zinc/57/37/98/1414573798.db2.gz KXCMBTONYXNRDD-ZDUSSCGKSA-N 0 1 396.948 3.383 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000122823595 1414573806 /nfs/dbraw/zinc/57/38/06/1414573806.db2.gz KXCMBTONYXNRDD-ZDUSSCGKSA-N 0 1 396.948 3.383 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccco1 ZINC000122845298 1414578710 /nfs/dbraw/zinc/57/87/10/1414578710.db2.gz UKGYHECBVNTUNJ-SFHVURJKSA-N 0 1 382.464 3.207 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000122851827 1414580151 /nfs/dbraw/zinc/58/01/51/1414580151.db2.gz XWIJARHHOQVCIG-XLIONFOSSA-N 0 1 395.503 3.192 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(Cl)c1 ZINC000122854761 1414581580 /nfs/dbraw/zinc/58/15/80/1414581580.db2.gz MGCCDTYHIBKKNV-RDJZCZTQSA-N 0 1 385.895 3.366 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CN1Cc1ccccc1 ZINC000122857616 1414582009 /nfs/dbraw/zinc/58/20/09/1414582009.db2.gz AESWZBSRHNXSSC-XJKSGUPXSA-N 0 1 389.858 3.197 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122859682 1414582670 /nfs/dbraw/zinc/58/26/70/1414582670.db2.gz SRDQXBSKUINPBQ-CRAIPNDOSA-N 0 1 385.895 3.366 20 0 GGADMN COc1cc(OC)c(CNCCOc2ncccc2C(F)(F)F)c(OC)c1 ZINC000122860766 1414582704 /nfs/dbraw/zinc/58/27/04/1414582704.db2.gz QOYSHEZQPMAWIR-UHFFFAOYSA-N 0 1 386.370 3.295 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2F)CN1Cc1ccccc1 ZINC000122861215 1414583463 /nfs/dbraw/zinc/58/34/63/1414583463.db2.gz ZSCUXACOSDAENQ-BBRMVZONSA-N 0 1 389.858 3.197 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000122863867 1414583915 /nfs/dbraw/zinc/58/39/15/1414583915.db2.gz WMVXVABLVSDFFM-UXHICEINSA-N 0 1 385.483 3.241 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)ccc2[nH]1 ZINC000122867952 1414584377 /nfs/dbraw/zinc/58/43/77/1414584377.db2.gz VIJQQTHPCBOGCO-OXJNMPFZSA-N 0 1 390.487 3.194 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C)c1 ZINC000122870012 1414585049 /nfs/dbraw/zinc/58/50/49/1414585049.db2.gz PYVDGUQHGIRDDX-HKUYNNGSSA-N 0 1 395.503 3.111 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C)c1 ZINC000122870235 1414585181 /nfs/dbraw/zinc/58/51/81/1414585181.db2.gz PYVDGUQHGIRDDX-IEBWSBKVSA-N 0 1 395.503 3.111 20 0 GGADMN 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XTODJKVCYZASKG-DYESRHJHSA-N 0 1 393.491 3.086 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@@H](c3cccs3)N(C)C)c2)no1 ZINC000123096014 1414640487 /nfs/dbraw/zinc/64/04/87/1414640487.db2.gz DUAZNCMZPYPIGG-INIZCTEOSA-N 0 1 386.477 3.051 20 0 GGADMN Cc1cccn2c(=O)cc(CNC3(c4ccc5c(c4)OCCO5)CCCC3)nc12 ZINC000123109414 1414644211 /nfs/dbraw/zinc/64/42/11/1414644211.db2.gz LPPRHDAWILMROU-UHFFFAOYSA-N 0 1 391.471 3.333 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)n[nH]1 ZINC000123112974 1414644852 /nfs/dbraw/zinc/64/48/52/1414644852.db2.gz QJUMQCZTXXCJBL-PBHICJAKSA-N 0 1 399.520 3.217 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1C(C)C ZINC000123183749 1414662444 /nfs/dbraw/zinc/66/24/44/1414662444.db2.gz NMUXJGHCHXRDPO-UHFFFAOYSA-N 0 1 383.496 3.048 20 0 GGADMN CCc1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)n[nH]1 ZINC000123192893 1414665292 /nfs/dbraw/zinc/66/52/92/1414665292.db2.gz KJRPBIRVYODVRP-UHFFFAOYSA-N 0 1 384.749 3.477 20 0 GGADMN CCc1n[nH]c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)n1 ZINC000123192893 1414665294 /nfs/dbraw/zinc/66/52/94/1414665294.db2.gz KJRPBIRVYODVRP-UHFFFAOYSA-N 0 1 384.749 3.477 20 0 GGADMN O=C(/C=C/c1ccc(Cl)nc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000123199037 1414666196 /nfs/dbraw/zinc/66/61/96/1414666196.db2.gz YSSHKSDLKHZAOJ-FNORWQNLSA-N 0 1 377.916 3.147 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000123221604 1414671403 /nfs/dbraw/zinc/67/14/03/1414671403.db2.gz CZQFYINADVOCBM-MSOLQXFVSA-N 0 1 379.863 3.115 20 0 GGADMN O=S(=O)(Nc1cccnc1N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000177664055 1428827134 /nfs/dbraw/zinc/82/71/34/1428827134.db2.gz ABINXWNYYKOCII-UHFFFAOYSA-N 0 1 395.484 3.386 20 0 GGADMN COc1cccc(CNc2ccc(N3CCN(C)CC3)cn2)c1OC(F)F ZINC000123235371 1414675091 /nfs/dbraw/zinc/67/50/91/1414675091.db2.gz WQHRQUVJNQYRDD-UHFFFAOYSA-N 0 1 378.423 3.056 20 0 GGADMN CCOc1cc(CNc2ccc(N3CCN(C)CC3)cn2)ccc1OC(F)F ZINC000123238120 1414675847 /nfs/dbraw/zinc/67/58/47/1414675847.db2.gz UMHAMPHWBJHCLB-UHFFFAOYSA-N 0 1 392.450 3.446 20 0 GGADMN CCCCn1nc(C)c(CNc2ccc(N3CCN(C)CC3)cn2)c1Cl ZINC000123245357 1414677330 /nfs/dbraw/zinc/67/73/30/1414677330.db2.gz IJYMTEYELDTHNI-UHFFFAOYSA-N 0 1 376.936 3.404 20 0 GGADMN Cn1cc(CN2CCC[C@@H](N3CCCC3=O)C2)c(-c2cc3ccccc3o2)n1 ZINC000123258604 1414680226 /nfs/dbraw/zinc/68/02/26/1414680226.db2.gz LULOZOPVLNJHCX-GOSISDBHSA-N 0 1 378.476 3.420 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)N2CCCC2)cc1 ZINC000123269079 1414683735 /nfs/dbraw/zinc/68/37/35/1414683735.db2.gz MSEGUDSFIKBSAB-NRFANRHFSA-N 0 1 390.487 3.368 20 0 GGADMN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000123273520 1414684400 /nfs/dbraw/zinc/68/44/00/1414684400.db2.gz KDCUCDPPINYWRE-SFHVURJKSA-N 0 1 390.915 3.022 20 0 GGADMN CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000123295268 1414690158 /nfs/dbraw/zinc/69/01/58/1414690158.db2.gz RJIMBFACGRVGDS-VQTJNVASSA-N 0 1 387.572 3.334 20 0 GGADMN COc1ccc(C)cc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000123296449 1414690692 /nfs/dbraw/zinc/69/06/92/1414690692.db2.gz IKYYLDBRSZJQNJ-UHFFFAOYSA-N 0 1 382.508 3.337 20 0 GGADMN CCN(CC(=O)NC1CCN(C(C)=O)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123298638 1414691349 /nfs/dbraw/zinc/69/13/49/1414691349.db2.gz MABHFZRTUABEGS-CQSZACIVSA-N 0 1 399.457 3.215 20 0 GGADMN CCN(CC(=O)NC1CCN(C(C)=O)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123298427 1414691404 /nfs/dbraw/zinc/69/14/04/1414691404.db2.gz MABHFZRTUABEGS-AWEZNQCLSA-N 0 1 399.457 3.215 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C)[C@H]1CCSC1)N1CCCCC1 ZINC000123326370 1414697783 /nfs/dbraw/zinc/69/77/83/1414697783.db2.gz LAUIOBNZYBTEQQ-FUHWJXTLSA-N 0 1 377.554 3.369 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000123336204 1414699463 /nfs/dbraw/zinc/69/94/63/1414699463.db2.gz OVUUPPKJFVHTBQ-GOSISDBHSA-N 0 1 394.500 3.420 20 0 GGADMN CCCC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H](C)c1ccccc1 ZINC000123350221 1414703409 /nfs/dbraw/zinc/70/34/09/1414703409.db2.gz 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GGADMN CC[C@@H](c1ccccc1)N(CC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159524 1428904283 /nfs/dbraw/zinc/90/42/83/1428904283.db2.gz PHUCODXXKSQGQJ-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159524 1428904288 /nfs/dbraw/zinc/90/42/88/1428904288.db2.gz PHUCODXXKSQGQJ-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159524 1428904291 /nfs/dbraw/zinc/90/42/91/1428904291.db2.gz PHUCODXXKSQGQJ-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825159524 1428904294 /nfs/dbraw/zinc/90/42/94/1428904294.db2.gz PHUCODXXKSQGQJ-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825159524 1428904297 /nfs/dbraw/zinc/90/42/97/1428904297.db2.gz PHUCODXXKSQGQJ-IBGZPJMESA-N 0 1 399.520 3.114 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)Cn2cnc(-c3ccccc3)n2)[nH]1 ZINC000126046347 1415344126 /nfs/dbraw/zinc/34/41/26/1415344126.db2.gz JFGNRUSMTSXSRT-UHFFFAOYSA-N 0 1 387.447 3.492 20 0 GGADMN COc1cccc(OC)c1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000126096144 1415356758 /nfs/dbraw/zinc/35/67/58/1415356758.db2.gz ZBFOZMXOYJKQLG-CALCHBBNSA-N 0 1 398.503 3.243 20 0 GGADMN c1c(CN2CCC3(CC2)OCCO3)c(-c2ccncc2)nn1-c1ccccc1 ZINC000126095839 1415356826 /nfs/dbraw/zinc/35/68/26/1415356826.db2.gz NRKBMOHFFCWDKK-UHFFFAOYSA-N 0 1 376.460 3.273 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000126099752 1415357491 /nfs/dbraw/zinc/35/74/91/1415357491.db2.gz GGLSOBDDEQRPNR-JOCHJYFZSA-N 0 1 396.535 3.029 20 0 GGADMN C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000126123497 1415363632 /nfs/dbraw/zinc/36/36/32/1415363632.db2.gz IVWHZZSXQJHZKD-INIZCTEOSA-N 0 1 386.517 3.177 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000126124222 1415363917 /nfs/dbraw/zinc/36/39/17/1415363917.db2.gz UPHOCKUPNPRPLL-RDJZCZTQSA-N 0 1 387.553 3.105 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000126124222 1415363926 /nfs/dbraw/zinc/36/39/26/1415363926.db2.gz UPHOCKUPNPRPLL-RDJZCZTQSA-N 0 1 387.553 3.105 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1-c1nnn[n-]1 ZINC000822084549 1428921694 /nfs/dbraw/zinc/92/16/94/1428921694.db2.gz MPKHSRIMONOIOX-QGZVFWFLSA-N 0 1 397.527 3.295 20 0 GGADMN CC(C)c1nnc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000177986468 1428916522 /nfs/dbraw/zinc/91/65/22/1428916522.db2.gz JPZGOFOKOWWMIE-UHFFFAOYSA-N 0 1 378.473 3.035 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)C(=O)Nc3ccccc3)n2)cc1 ZINC000126146155 1415368772 /nfs/dbraw/zinc/36/87/72/1415368772.db2.gz DSAHWFQYXIUXEW-AWEZNQCLSA-N 0 1 395.488 3.016 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)C(=O)Nc3ccccc3)n2)cc1 ZINC000126146414 1415369156 /nfs/dbraw/zinc/36/91/56/1415369156.db2.gz DSAHWFQYXIUXEW-CQSZACIVSA-N 0 1 395.488 3.016 20 0 GGADMN COC(=O)c1cc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c[nH]1 ZINC000126147661 1415369741 /nfs/dbraw/zinc/36/97/41/1415369741.db2.gz IEJXWJHUMLQVHP-UHFFFAOYSA-N 0 1 384.480 3.228 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000177986432 1428917053 /nfs/dbraw/zinc/91/70/53/1428917053.db2.gz YCNIWAJQQCOMKV-UHFFFAOYSA-N 0 1 392.500 3.110 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cnc(-c3ncccn3)s2)N2CCCC2)cc1 ZINC000126152733 1415371138 /nfs/dbraw/zinc/37/11/38/1415371138.db2.gz REMPBCZMEKMTOS-QGZVFWFLSA-N 0 1 393.516 3.475 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CN1C1CC1 ZINC000126163483 1415373801 /nfs/dbraw/zinc/37/38/01/1415373801.db2.gz KHKUAJNSSPOJMP-QWRGUYRKSA-N 0 1 380.457 3.202 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CN1C1CC1 ZINC000126163281 1415374061 /nfs/dbraw/zinc/37/40/61/1415374061.db2.gz KHKUAJNSSPOJMP-MNOVXSKESA-N 0 1 380.457 3.202 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CN1C1CC1 ZINC000126163937 1415374737 /nfs/dbraw/zinc/37/47/37/1415374737.db2.gz KHKUAJNSSPOJMP-WDEREUQCSA-N 0 1 380.457 3.202 20 0 GGADMN CCN(CC)C(=O)COc1ccc(NC(=O)CN(CC)C2CC2)cc1Cl ZINC000126180634 1415378662 /nfs/dbraw/zinc/37/86/62/1415378662.db2.gz ZQHJPGMMGLNBEW-UHFFFAOYSA-N 0 1 381.904 3.010 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCN(CC2CC2)CC1 ZINC000126209378 1415385022 /nfs/dbraw/zinc/38/50/22/1415385022.db2.gz HMFMCAYMUXDDCL-MRXNPFEDSA-N 0 1 376.570 3.225 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCN(CC4CC4)CC3)n2)cc1 ZINC000126211482 1415385492 /nfs/dbraw/zinc/38/54/92/1415385492.db2.gz IVNGEKKFBMFKLC-MRXNPFEDSA-N 0 1 384.549 3.473 20 0 GGADMN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)cc1 ZINC000126226680 1415388630 /nfs/dbraw/zinc/38/86/30/1415388630.db2.gz TYZIDANCPNRBMD-AWEZNQCLSA-N 0 1 391.874 3.444 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000126230570 1415389273 /nfs/dbraw/zinc/38/92/73/1415389273.db2.gz ZESVXIDIGBBKGX-JOCHJYFZSA-N 0 1 381.520 3.027 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccnc1OCC(F)F ZINC000126229844 1415389568 /nfs/dbraw/zinc/38/95/68/1415389568.db2.gz ZCTMJCLTFLCZKY-INIZCTEOSA-N 0 1 389.446 3.462 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(F)cc1 ZINC000126241311 1415391934 /nfs/dbraw/zinc/39/19/34/1415391934.db2.gz GQGPZVXFNCPNLF-MRXNPFEDSA-N 0 1 388.468 3.294 20 0 GGADMN CC(C)OCCCNC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000126252177 1415394734 /nfs/dbraw/zinc/39/47/34/1415394734.db2.gz XBKYPFQGVIOKIN-UHFFFAOYSA-N 0 1 384.524 3.016 20 0 GGADMN CCCCn1ncc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1C ZINC000126253695 1415395165 /nfs/dbraw/zinc/39/51/65/1415395165.db2.gz YGWIPQSJDXDXMX-UHFFFAOYSA-N 0 1 376.545 3.004 20 0 GGADMN C[C@H]([NH2+]CCC1OCCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824584758 1428910435 /nfs/dbraw/zinc/91/04/35/1428910435.db2.gz GOBJAFOZIKTSJW-HNNXBMFYSA-N 0 1 379.464 3.337 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)n[nH]2)cc1OC ZINC000126295292 1415408746 /nfs/dbraw/zinc/40/87/46/1415408746.db2.gz RIUQQCJJIDWQFM-KSSFIOAISA-N 0 1 395.463 3.014 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)n[nH]2)cc1OC ZINC000126295024 1415408772 /nfs/dbraw/zinc/40/87/72/1415408772.db2.gz RIUQQCJJIDWQFM-KDOFPFPSSA-N 0 1 395.463 3.014 20 0 GGADMN CC1CCC([N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)CC1 ZINC000820690835 1428911705 /nfs/dbraw/zinc/91/17/05/1428911705.db2.gz SPYZEFUQLWZNNL-UHFFFAOYSA-N 0 1 379.468 3.460 20 0 GGADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)NCc1cc(F)cc(F)c1 ZINC000126302032 1415412052 /nfs/dbraw/zinc/41/20/52/1415412052.db2.gz ZLKGLIPPXSOWJI-UHFFFAOYSA-N 0 1 378.379 3.298 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC000126311696 1415415003 /nfs/dbraw/zinc/41/50/03/1415415003.db2.gz MTXAMQMPAFFSEG-LBPRGKRZSA-N 0 1 393.846 3.433 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000126317730 1415416248 /nfs/dbraw/zinc/41/62/48/1415416248.db2.gz WDAHBYHVHNOZFJ-QZTJIDSGSA-N 0 1 383.536 3.077 20 0 GGADMN COc1ccc2oc(CN[C@@H]3CCN(c4cc(OC)cc(OC)c4)C3=O)cc2c1 ZINC000126325875 1415418578 /nfs/dbraw/zinc/41/85/78/1415418578.db2.gz KTFCKGVNWALFMW-HXUWFJFHSA-N 0 1 396.443 3.354 20 0 GGADMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000126341094 1415421693 /nfs/dbraw/zinc/42/16/93/1415421693.db2.gz UKVWPFHCHMUYAB-OAHLLOKOSA-N 0 1 389.521 3.222 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCC2(CC1)OCCO2 ZINC000126362918 1415427591 /nfs/dbraw/zinc/42/75/91/1415427591.db2.gz YKTGGITXUXQRCA-SFHVURJKSA-N 0 1 393.915 3.025 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@H](C)CCSC)cc1OC ZINC000126385733 1415432505 /nfs/dbraw/zinc/43/25/05/1415432505.db2.gz MBDKACDZZHKSDG-NVXWUHKLSA-N 0 1 380.554 3.441 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000126388527 1415434870 /nfs/dbraw/zinc/43/48/70/1415434870.db2.gz RPSKEQJHJFLQRY-INIZCTEOSA-N 0 1 388.581 3.238 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN(C)[C@@H](C)CCSC)nc2c1 ZINC000126391073 1415435783 /nfs/dbraw/zinc/43/57/83/1415435783.db2.gz MQGFXPKVMKGCKJ-AWEZNQCLSA-N 0 1 398.598 3.167 20 0 GGADMN Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1N(C)C ZINC000126401244 1415439939 /nfs/dbraw/zinc/43/99/39/1415439939.db2.gz RFVFFJQNVRMDCP-UHFFFAOYSA-N 0 1 387.549 3.004 20 0 GGADMN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000126404094 1415440774 /nfs/dbraw/zinc/44/07/74/1415440774.db2.gz YSYQBPLKOIZFQF-OAHLLOKOSA-N 0 1 386.945 3.128 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000126415739 1415445273 /nfs/dbraw/zinc/44/52/73/1415445273.db2.gz SYGDKWOBPSTWHV-YESZJQIVSA-N 0 1 379.570 3.312 20 0 GGADMN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCNC[C@@H]3C)c2)cc1 ZINC000126415869 1415445414 /nfs/dbraw/zinc/44/54/14/1415445414.db2.gz TZDAJUGMFUUQJM-KRWDZBQOSA-N 0 1 380.488 3.221 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N(CCCCO)C1CC1 ZINC000126417618 1415446346 /nfs/dbraw/zinc/44/63/46/1415446346.db2.gz STWWQMIGXZFNPQ-UHFFFAOYSA-N 0 1 393.959 3.499 20 0 GGADMN CCC[N@H+]1CCCC[C@H]1C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000126425047 1415449227 /nfs/dbraw/zinc/44/92/27/1415449227.db2.gz UUGAFOSZDITMDF-FQEVSTJZSA-N 0 1 382.508 3.406 20 0 GGADMN CCCN1CCCC[C@H]1C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000126425047 1415449228 /nfs/dbraw/zinc/44/92/28/1415449228.db2.gz UUGAFOSZDITMDF-FQEVSTJZSA-N 0 1 382.508 3.406 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@@H](O)c2c(F)cccc2F)N2CCCC2)o1 ZINC000126434388 1415453079 /nfs/dbraw/zinc/45/30/79/1415453079.db2.gz BRHNCWOFGFSMPW-IAGOWNOFSA-N 0 1 393.434 3.036 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3c4ccccc4nnc3-c3nn[n-]n3)CC2)CC1 ZINC000824953609 1428933497 /nfs/dbraw/zinc/93/34/97/1428933497.db2.gz GMGFSGAXNBMJSS-UHFFFAOYSA-N 0 1 392.511 3.265 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4cccc(-c5nn[n-]n5)c4)CC[C@H]32)cc1 ZINC000823780774 1428933831 /nfs/dbraw/zinc/93/38/31/1428933831.db2.gz VZTIIWIAJSDXGD-FCHUYYIVSA-N 0 1 388.519 3.353 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4cccc(-c5nnn[n-]5)c4)CC[C@H]32)cc1 ZINC000823780774 1428933834 /nfs/dbraw/zinc/93/38/34/1428933834.db2.gz VZTIIWIAJSDXGD-FCHUYYIVSA-N 0 1 388.519 3.353 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4cccc(-c5nnn[n-]5)c4)CC[C@H]32)cc1 ZINC000823780774 1428933837 /nfs/dbraw/zinc/93/38/37/1428933837.db2.gz VZTIIWIAJSDXGD-FCHUYYIVSA-N 0 1 388.519 3.353 20 0 GGADMN Cc1cc(CC(=O)N[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)[nH]n1 ZINC000126459814 1415458653 /nfs/dbraw/zinc/45/86/53/1415458653.db2.gz WXDZBOZEEVZZSC-GOSISDBHSA-N 0 1 391.397 3.483 20 0 GGADMN NC(=O)c1ccccc1NC(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177996838 1428922226 /nfs/dbraw/zinc/92/22/26/1428922226.db2.gz WXCNOKDUODKQAK-WIYYLYMNSA-N 0 1 395.503 3.092 20 0 GGADMN Cc1sc(=O)n(CC(=O)Nc2cc(CN3CCSCC3)ccc2C)c1C ZINC000126473843 1415463573 /nfs/dbraw/zinc/46/35/73/1415463573.db2.gz AGXONBTWGJCSTO-UHFFFAOYSA-N 0 1 391.562 3.023 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1cccc(N2CCCC2)c1 ZINC000126484497 1415467188 /nfs/dbraw/zinc/46/71/88/1415467188.db2.gz PWVQCUSIGDFNQC-SJORKVTESA-N 0 1 392.503 3.311 20 0 GGADMN Cc1nnc(-c2ccccc2C(=O)NC[C@H](C)N2CCc3ccccc3C2)o1 ZINC000126485238 1415467546 /nfs/dbraw/zinc/46/75/46/1415467546.db2.gz YENYPPZHLRIUQZ-HNNXBMFYSA-N 0 1 376.460 3.222 20 0 GGADMN Cc1coc(-c2ccc(C)c(NC(=O)NC[C@H]3CN(CC(C)C)CCO3)c2)n1 ZINC000177998293 1428923210 /nfs/dbraw/zinc/92/32/10/1428923210.db2.gz RJGMTQRDXOIWQV-SFHVURJKSA-N 0 1 386.496 3.437 20 0 GGADMN COC(=O)CCCN(Cc1ccccc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000177997153 1428923359 /nfs/dbraw/zinc/92/33/59/1428923359.db2.gz NPNSPUPIUWKGTB-HXUWFJFHSA-N 0 1 382.460 3.467 20 0 GGADMN CC[C@@H](C)n1ncc(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)c1C1CC1 ZINC000126501034 1415471528 /nfs/dbraw/zinc/47/15/28/1415471528.db2.gz KMYUHXHICBYBLJ-CYBMUJFWSA-N 0 1 394.479 3.455 20 0 GGADMN CC[C@@H](C)n1ncc(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)c1C1CC1 ZINC000126501034 1415471538 /nfs/dbraw/zinc/47/15/38/1415471538.db2.gz KMYUHXHICBYBLJ-CYBMUJFWSA-N 0 1 394.479 3.455 20 0 GGADMN C[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000126508453 1415473773 /nfs/dbraw/zinc/47/37/73/1415473773.db2.gz CMZPOMIVVZWSKC-WMZOPIPTSA-N 0 1 385.430 3.148 20 0 GGADMN CC(C)N(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000126519586 1415476167 /nfs/dbraw/zinc/47/61/67/1415476167.db2.gz OOKXBDYPNWBYEE-UHFFFAOYSA-N 0 1 397.447 3.044 20 0 GGADMN COC(=O)c1cccc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000126560050 1415490223 /nfs/dbraw/zinc/49/02/23/1415490223.db2.gz FHQSKBUVKCMXLZ-UHFFFAOYSA-N 0 1 399.466 3.076 20 0 GGADMN CC(=O)c1c[nH]c(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000126606064 1415505583 /nfs/dbraw/zinc/50/55/83/1415505583.db2.gz ZSRJUTDSHSTYLP-UHFFFAOYSA-N 0 1 389.883 3.144 20 0 GGADMN C[C@H](CNC(=O)NCc1ccn(-c2ccccc2)n1)N1CCc2ccccc2C1 ZINC000126611311 1415506977 /nfs/dbraw/zinc/50/69/77/1415506977.db2.gz LCNAXCKWUXRCFV-GOSISDBHSA-N 0 1 389.503 3.118 20 0 GGADMN Cc1c([C@@H](C)NCCc2nnc3n2CCCCC3)nnn1-c1ccc(Cl)cc1 ZINC000126649966 1415517424 /nfs/dbraw/zinc/51/74/24/1415517424.db2.gz FQGHQJSUWUKLAZ-CQSZACIVSA-N 0 1 399.930 3.440 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cnc(Cl)c(C)c1)c1ccsc1 ZINC000126653329 1415518087 /nfs/dbraw/zinc/51/80/87/1415518087.db2.gz DWEPSPDIGKRSAM-HNNXBMFYSA-N 0 1 394.928 3.243 20 0 GGADMN COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000126657975 1415519684 /nfs/dbraw/zinc/51/96/84/1415519684.db2.gz WGQRDCWQNVSNAK-SFHVURJKSA-N 0 1 392.883 3.179 20 0 GGADMN COc1ccc(Cl)cc1CN(C)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000126657975 1415519688 /nfs/dbraw/zinc/51/96/88/1415519688.db2.gz WGQRDCWQNVSNAK-SFHVURJKSA-N 0 1 392.883 3.179 20 0 GGADMN COc1cc([C@@H](C)NCc2cnn(Cc3ccccc3)c2)ccc1OCCO ZINC000126670468 1415522381 /nfs/dbraw/zinc/52/23/81/1415522381.db2.gz VMPNQMWODIXMKY-QGZVFWFLSA-N 0 1 381.476 3.162 20 0 GGADMN COCCCOC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000126687443 1415526791 /nfs/dbraw/zinc/52/67/91/1415526791.db2.gz IVLSIJSKHPQMMB-UHFFFAOYSA-N 0 1 377.872 3.388 20 0 GGADMN COCCCNC(=O)[C@H](C)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000126723442 1415539649 /nfs/dbraw/zinc/53/96/49/1415539649.db2.gz MXVHLCQNPLOUHO-MGPUTAFESA-N 0 1 376.447 3.379 20 0 GGADMN COCCCNC(=O)[C@@H](C)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000126723659 1415539799 /nfs/dbraw/zinc/53/97/99/1415539799.db2.gz MXVHLCQNPLOUHO-FOIQADDNSA-N 0 1 376.447 3.379 20 0 GGADMN COc1cc(CN[C@H](C)c2cc(C)ccc2OC(F)F)ccc1OCC(N)=O ZINC000178028181 1428943985 /nfs/dbraw/zinc/94/39/85/1428943985.db2.gz BLUULEZKVDZNHI-CYBMUJFWSA-N 0 1 394.418 3.320 20 0 GGADMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000178029375 1428944628 /nfs/dbraw/zinc/94/46/28/1428944628.db2.gz ZRFRQCPZUJTOAI-LBPRGKRZSA-N 0 1 378.856 3.072 20 0 GGADMN O=C(c1cccc(F)c1)N1CCCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000126741997 1415544730 /nfs/dbraw/zinc/54/47/30/1415544730.db2.gz ARDFVFMQWIQQER-LJQANCHMSA-N 0 1 376.859 3.361 20 0 GGADMN Fc1cc(CNCc2ccccc2OCCN2CCOCC2)ccc1Cl ZINC000126746441 1415545824 /nfs/dbraw/zinc/54/58/24/1415545824.db2.gz ZVHXUGVUOKUSIM-UHFFFAOYSA-N 0 1 378.875 3.480 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nncn1-c1ccccc1 ZINC000126764689 1415552778 /nfs/dbraw/zinc/55/27/78/1415552778.db2.gz HDRWSLALWCAODU-UHFFFAOYSA-N 0 1 382.367 3.228 20 0 GGADMN COc1cc(CNCc2ccc(-c3ccc(C)cc3)o2)ccc1OCC(N)=O ZINC000126799736 1415563726 /nfs/dbraw/zinc/56/37/26/1415563726.db2.gz LTLOSRGNKGZNNQ-UHFFFAOYSA-N 0 1 380.444 3.418 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126805081 1415564968 /nfs/dbraw/zinc/56/49/68/1415564968.db2.gz MADZPZGCFDODOJ-WOJBJXKFSA-N 0 1 393.462 3.048 20 0 GGADMN Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126824718 1415572952 /nfs/dbraw/zinc/57/29/52/1415572952.db2.gz CXXMGNJTLSSDOH-UXHICEINSA-N 0 1 391.471 3.015 20 0 GGADMN Cc1ccc(-c2nc(C(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cs2)o1 ZINC000126827923 1415575209 /nfs/dbraw/zinc/57/52/09/1415575209.db2.gz OHAQUJNMMOKRLU-DLBZAZTESA-N 0 1 397.500 3.077 20 0 GGADMN 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CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1)CC(C)C ZINC000825419042 1428963362 /nfs/dbraw/zinc/96/33/62/1428963362.db2.gz FACZUGUQFQZQTE-UHFFFAOYSA-N 0 1 398.555 3.395 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1)CC(C)C ZINC000825419042 1428963365 /nfs/dbraw/zinc/96/33/65/1428963365.db2.gz FACZUGUQFQZQTE-UHFFFAOYSA-N 0 1 398.555 3.395 20 0 GGADMN Cc1cc(CCCC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000127215010 1415689204 /nfs/dbraw/zinc/68/92/04/1415689204.db2.gz RBLMHKNMBIVCPP-LEWJYISDSA-N 0 1 386.561 3.439 20 0 GGADMN O=C(CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)NCCC1=CCCCC1 ZINC000178061423 1428963736 /nfs/dbraw/zinc/96/37/36/1428963736.db2.gz YBCOGBFQRXAJIS-FQEVSTJZSA-N 0 1 383.536 3.135 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)CNc1ccccc1 ZINC000178061812 1428963827 /nfs/dbraw/zinc/96/38/27/1428963827.db2.gz CRRRMEOFYHOXBK-GOSISDBHSA-N 0 1 381.524 3.369 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N2CCC(OC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000127225771 1415693033 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GGADMN O=C(NCc1ccccc1)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000127241462 1415700105 /nfs/dbraw/zinc/70/01/05/1415700105.db2.gz FPGLYSMIRQQCCR-UHFFFAOYSA-N 0 1 397.438 3.394 20 0 GGADMN O=C(N1CCN(C[C@@H]2CCOC2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000178090002 1428977122 /nfs/dbraw/zinc/97/71/22/1428977122.db2.gz OTESSBLHVQFTAT-KRWDZBQOSA-N 0 1 376.928 3.333 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN2Cc3ccccc3N(C)C[C@H]2CC)c1 ZINC000127258166 1415706152 /nfs/dbraw/zinc/70/61/52/1415706152.db2.gz YVHKJMHICUCDIN-HXUWFJFHSA-N 0 1 394.519 3.105 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN2Cc3ccccc3N(C)C[C@@H]2CC)c1 ZINC000127258338 1415706644 /nfs/dbraw/zinc/70/66/44/1415706644.db2.gz YVHKJMHICUCDIN-FQEVSTJZSA-N 0 1 394.519 3.105 20 0 GGADMN Cc1nc(-c2ccco2)ccc1C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127272704 1415712331 /nfs/dbraw/zinc/71/23/31/1415712331.db2.gz KDRMENIUJBEHBO-OALUTQOASA-N 0 1 391.471 3.015 20 0 GGADMN COC(=O)c1ccc(CN(C)Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000127274189 1415712932 /nfs/dbraw/zinc/71/29/32/1415712932.db2.gz VZQZASPYZSGRBQ-UHFFFAOYSA-N 0 1 396.487 3.106 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccncc3)on2)N2CCCC2)cc1 ZINC000127276392 1415713661 /nfs/dbraw/zinc/71/36/61/1415713661.db2.gz LMWVHRZCFRNGHT-FQEVSTJZSA-N 0 1 392.459 3.312 20 0 GGADMN CC(C)N(CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000820117233 1428979258 /nfs/dbraw/zinc/97/92/58/1428979258.db2.gz WOGVBFLICVUDDU-UHFFFAOYSA-N 0 1 380.518 3.053 20 0 GGADMN COc1ccc([C@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000127285520 1415719630 /nfs/dbraw/zinc/71/96/30/1415719630.db2.gz PFRNQGSPMHESSQ-INIZCTEOSA-N 0 1 386.492 3.364 20 0 GGADMN COc1ccc([C@H](C)N(C)CC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000127285520 1415719646 /nfs/dbraw/zinc/71/96/46/1415719646.db2.gz PFRNQGSPMHESSQ-INIZCTEOSA-N 0 1 386.492 3.364 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)NC(C)(C)C ZINC000178097984 1428980262 /nfs/dbraw/zinc/98/02/62/1428980262.db2.gz HRRDZIRZBGBMFO-GJZGRUSLSA-N 0 1 380.554 3.357 20 0 GGADMN Cc1ccc2[nH]cc(CCC(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)c2c1 ZINC000127287472 1415721188 /nfs/dbraw/zinc/72/11/88/1415721188.db2.gz BXVKQELTSBQZKQ-RTWAWAEBSA-N 0 1 391.515 3.161 20 0 GGADMN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)c21 ZINC000178123534 1428990646 /nfs/dbraw/zinc/99/06/46/1428990646.db2.gz RAFFUKVJBJSOTA-HNNXBMFYSA-N 0 1 398.507 3.018 20 0 GGADMN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178100351 1428981139 /nfs/dbraw/zinc/98/11/39/1428981139.db2.gz XUWZJXJNXZIJAC-OAHLLOKOSA-N 0 1 389.883 3.098 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000127300400 1415727027 /nfs/dbraw/zinc/72/70/27/1415727027.db2.gz LCBOMAKLOIIBSN-HZPDHXFCSA-N 0 1 378.394 3.071 20 0 GGADMN CCCn1cc(NC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cn1 ZINC000178102541 1428982219 /nfs/dbraw/zinc/98/22/19/1428982219.db2.gz DSMCFJRRYBFLLY-OAHLLOKOSA-N 0 1 383.496 3.230 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1(c2ccc(Cl)cc2)CC1 ZINC000127308618 1415730911 /nfs/dbraw/zinc/73/09/11/1415730911.db2.gz QWSKAAKKYWGSPS-WOJBJXKFSA-N 0 1 384.907 3.123 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C1(c2ccc(Cl)cc2)CC1 ZINC000127308618 1415730937 /nfs/dbraw/zinc/73/09/37/1415730937.db2.gz QWSKAAKKYWGSPS-WOJBJXKFSA-N 0 1 384.907 3.123 20 0 GGADMN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178102533 1428982558 /nfs/dbraw/zinc/98/25/58/1428982558.db2.gz ULSFDUKCPVTZBE-WOJBJXKFSA-N 0 1 394.515 3.302 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000178106206 1428983593 /nfs/dbraw/zinc/98/35/93/1428983593.db2.gz JHVVMNPHEMFYDQ-JKSUJKDBSA-N 0 1 384.442 3.380 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178105745 1428983787 /nfs/dbraw/zinc/98/37/87/1428983787.db2.gz WNXKCEPJAFGAFW-UHFFFAOYSA-N 0 1 379.382 3.375 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000178106176 1428983826 /nfs/dbraw/zinc/98/38/26/1428983826.db2.gz JHVVMNPHEMFYDQ-HOTGVXAUSA-N 0 1 384.442 3.380 20 0 GGADMN C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F ZINC000178106189 1428983870 /nfs/dbraw/zinc/98/38/70/1428983870.db2.gz JHVVMNPHEMFYDQ-CVEARBPZSA-N 0 1 384.442 3.380 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc2ccc(Cl)cc2[nH]1 ZINC000127325739 1415739049 /nfs/dbraw/zinc/73/90/49/1415739049.db2.gz NJUYRHWXMBASFI-QZTJIDSGSA-N 0 1 383.879 3.187 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000127335859 1415742553 /nfs/dbraw/zinc/74/25/53/1415742553.db2.gz GSHPRULJGRCRKL-CABCVRRESA-N 0 1 395.286 3.064 20 0 GGADMN Cc1c2cccc(C)c2oc1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127333857 1415742817 /nfs/dbraw/zinc/74/28/17/1415742817.db2.gz HATQNSXNQGRTHN-MOPGFXCFSA-N 0 1 378.472 3.415 20 0 GGADMN COCc1ccccc1CNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000127355299 1415749027 /nfs/dbraw/zinc/74/90/27/1415749027.db2.gz ZJFLCSQJAQBQOF-UHFFFAOYSA-N 0 1 382.489 3.335 20 0 GGADMN Cc1ccc2[nH]c(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cc2c1C ZINC000127361421 1415753014 /nfs/dbraw/zinc/75/30/14/1415753014.db2.gz AEDXYUVHULOSLF-RTBURBONSA-N 0 1 377.488 3.150 20 0 GGADMN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178113951 1428987197 /nfs/dbraw/zinc/98/71/97/1428987197.db2.gz OHDIFJGESSMHRO-CQSZACIVSA-N 0 1 391.924 3.258 20 0 GGADMN O=C(c1ccccc1COc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178112940 1428987529 /nfs/dbraw/zinc/98/75/29/1428987529.db2.gz JENKDVCKXBYAIU-IBGZPJMESA-N 0 1 380.488 3.060 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000127369920 1415756259 /nfs/dbraw/zinc/75/62/59/1415756259.db2.gz DPZIKPXYAMKBTF-IBGZPJMESA-N 0 1 389.858 3.173 20 0 GGADMN Cc1[nH]c2c(cccc2C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1C ZINC000127376288 1415756911 /nfs/dbraw/zinc/75/69/11/1415756911.db2.gz IWFQZWGDLPEQDZ-RBUKOAKNSA-N 0 1 377.488 3.150 20 0 GGADMN C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127373379 1415757550 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GGADMN COCc1ccccc1CNC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000128131488 1415920719 /nfs/dbraw/zinc/92/07/19/1415920719.db2.gz ZMBXPRAJTIYJNE-UHFFFAOYSA-N 0 1 388.537 3.482 20 0 GGADMN COCc1ccccc1CNC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000128131488 1415920723 /nfs/dbraw/zinc/92/07/23/1415920723.db2.gz ZMBXPRAJTIYJNE-UHFFFAOYSA-N 0 1 388.537 3.482 20 0 GGADMN Cc1nn(C)cc1[C@H](C)NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000178208024 1429018561 /nfs/dbraw/zinc/01/85/61/1429018561.db2.gz ZXKWVEMRPIILCB-HNNXBMFYSA-N 0 1 378.480 3.296 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)CCN1CCOC ZINC000128184538 1415933545 /nfs/dbraw/zinc/93/35/45/1415933545.db2.gz VEKYGAFUGIIWSI-QGZVFWFLSA-N 0 1 375.900 3.461 20 0 GGADMN CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)c(F)c1 ZINC000128201255 1415938041 /nfs/dbraw/zinc/93/80/41/1415938041.db2.gz CEMKNQFIAVITQH-UHFFFAOYSA-N 0 1 387.436 3.401 20 0 GGADMN CC(C)[C@H](CNC(=O)NCC(C)(C)c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000128232057 1415945124 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/nfs/dbraw/zinc/02/41/34/1417024134.db2.gz XEYXSWQQMCZPJP-CQSZACIVSA-N 0 1 378.270 3.480 20 0 GGADMN CN(C[C@@H]1CCCCO1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000134114890 1417024281 /nfs/dbraw/zinc/02/42/81/1417024281.db2.gz XEYXSWQQMCZPJP-AWEZNQCLSA-N 0 1 378.270 3.480 20 0 GGADMN COCc1cccc(CNC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000178723250 1429150659 /nfs/dbraw/zinc/15/06/59/1429150659.db2.gz NAZUKYWJAONCNP-HSZRJFAPSA-N 0 1 396.531 3.211 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1F ZINC000134126634 1417026024 /nfs/dbraw/zinc/02/60/24/1417026024.db2.gz QWOYNVDTJRFIKC-LJQANCHMSA-N 0 1 389.471 3.371 20 0 GGADMN O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1CCCN1C1CCOCC1 ZINC000134130590 1417026553 /nfs/dbraw/zinc/02/65/53/1417026553.db2.gz LMBMUCFPORWZML-SFHVURJKSA-N 0 1 389.496 3.455 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000134144618 1417029030 /nfs/dbraw/zinc/02/90/30/1417029030.db2.gz GZQNJYXDRMQPEF-MJGOQNOKSA-N 0 1 389.540 3.236 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000134144831 1417029063 /nfs/dbraw/zinc/02/90/63/1417029063.db2.gz GZQNJYXDRMQPEF-IEBWSBKVSA-N 0 1 389.540 3.236 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000178722155 1429151190 /nfs/dbraw/zinc/15/11/90/1429151190.db2.gz JEYBKABFNWIZCS-JKSUJKDBSA-N 0 1 390.553 3.315 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)c2cn(C)nc2C)ccc1S(=O)(=O)C(F)F ZINC000178720142 1429151282 /nfs/dbraw/zinc/15/12/82/1429151282.db2.gz RTOJTYAKVDUXEU-MNOVXSKESA-N 0 1 387.452 3.145 20 0 GGADMN COc1cc(C)ccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000134170950 1417033064 /nfs/dbraw/zinc/03/30/64/1417033064.db2.gz FQHCYYHTHXSWQR-KRWDZBQOSA-N 0 1 382.508 3.423 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)N2CCCC2)o1 ZINC000134175360 1417033473 /nfs/dbraw/zinc/03/34/73/1417033473.db2.gz ILTBQWBZNHKDOH-FUHIMQAGSA-N 0 1 393.553 3.079 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)C2)CC1 ZINC000134184053 1417034831 /nfs/dbraw/zinc/03/48/31/1417034831.db2.gz GAFHLTNFRGILJD-NRFANRHFSA-N 0 1 398.938 3.254 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000134192602 1417036238 /nfs/dbraw/zinc/03/62/38/1417036238.db2.gz QFROXTSNMKRFPB-IAGOWNOFSA-N 0 1 381.561 3.403 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000134203541 1417037757 /nfs/dbraw/zinc/03/77/57/1417037757.db2.gz XJIJMRWIEGMBIO-SECBINFHSA-N 0 1 392.337 3.044 20 0 GGADMN COCc1ccc(CNC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000178723625 1429152611 /nfs/dbraw/zinc/15/26/11/1429152611.db2.gz UQOPYPWSIHQIGE-HSZRJFAPSA-N 0 1 396.531 3.211 20 0 GGADMN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000134269276 1417046748 /nfs/dbraw/zinc/04/67/48/1417046748.db2.gz OMTCUVSTYUZWQH-MRXNPFEDSA-N 0 1 393.447 3.347 20 0 GGADMN Cc1noc(C2CC2)c1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000134269450 1417047188 /nfs/dbraw/zinc/04/71/88/1417047188.db2.gz TYBIMPAPHYYDOD-SFHVURJKSA-N 0 1 396.491 3.061 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000134275915 1417048221 /nfs/dbraw/zinc/04/82/21/1417048221.db2.gz YHVKDIQQYFBEPB-UHFFFAOYSA-N 0 1 392.385 3.337 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc(F)n2)CC1 ZINC000134322106 1417055282 /nfs/dbraw/zinc/05/52/82/1417055282.db2.gz OUWVRRPTYXKKIB-CQSZACIVSA-N 0 1 389.450 3.384 20 0 GGADMN COc1ccc(CNC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134325301 1417055924 /nfs/dbraw/zinc/05/59/24/1417055924.db2.gz RNWWEIMUYCQNDJ-UHFFFAOYSA-N 0 1 382.504 3.119 20 0 GGADMN COc1cccc(CNC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000134326832 1417056237 /nfs/dbraw/zinc/05/62/37/1417056237.db2.gz JJSLDHPBWKDFHG-UHFFFAOYSA-N 0 1 382.504 3.119 20 0 GGADMN CC(C)NS(=O)(=O)[C@@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000134340371 1417057418 /nfs/dbraw/zinc/05/74/18/1417057418.db2.gz CXPYRTOGUVVOEO-GOSISDBHSA-N 0 1 376.522 3.011 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000134345113 1417058134 /nfs/dbraw/zinc/05/81/34/1417058134.db2.gz RUVCIEBEVOVVHF-UHFFFAOYSA-N 0 1 398.503 3.450 20 0 GGADMN COc1ccc(COCCCC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000134356606 1417060033 /nfs/dbraw/zinc/06/00/33/1417060033.db2.gz QXARMJMDIYTJTC-UHFFFAOYSA-N 0 1 382.504 3.167 20 0 GGADMN O=C(CN(Cc1ccccc1)CC1(O)CCCC1)N1CCc2sccc2C1 ZINC000134361360 1417060793 /nfs/dbraw/zinc/06/07/93/1417060793.db2.gz SLLIXVLZOLOSCJ-UHFFFAOYSA-N 0 1 384.545 3.440 20 0 GGADMN COCc1ccc(CNC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134363486 1417061011 /nfs/dbraw/zinc/06/10/11/1417061011.db2.gz SHGAGNDMZOAONH-UHFFFAOYSA-N 0 1 396.531 3.257 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(Oc2cnccn2)c1 ZINC000134366208 1417061415 /nfs/dbraw/zinc/06/14/15/1417061415.db2.gz RMUXIBRFDJIKSI-GOSISDBHSA-N 0 1 378.432 3.429 20 0 GGADMN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H](CO)C(C)(C)C ZINC000134374905 1417062202 /nfs/dbraw/zinc/06/22/02/1417062202.db2.gz OEQOQOOTYWLYNH-QGZVFWFLSA-N 0 1 389.521 3.278 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000134379427 1417062738 /nfs/dbraw/zinc/06/27/38/1417062738.db2.gz OCANKDAPQDHJAA-UHFFFAOYSA-N 0 1 396.466 3.023 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c[nH]c2ccccc2c1=O ZINC000134384618 1417063104 /nfs/dbraw/zinc/06/31/04/1417063104.db2.gz OYHVSCIAPCILNT-LBPRGKRZSA-N 0 1 385.826 3.329 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)cc2)CC1 ZINC000134382894 1417063147 /nfs/dbraw/zinc/06/31/47/1417063147.db2.gz RLWKDJSSQZZQNE-UHFFFAOYSA-N 0 1 397.429 3.359 20 0 GGADMN CC(C)[C@@H](NC(=O)CN(C)[C@@H](CO)C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000134392445 1417063512 /nfs/dbraw/zinc/06/35/12/1417063512.db2.gz OREBCECTRQXREA-PZJWPPBQSA-N 0 1 392.540 3.000 20 0 GGADMN CC[C@@]1(C(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CCC[NH2+]1 ZINC000134399122 1417065054 /nfs/dbraw/zinc/06/50/54/1417065054.db2.gz JKAGPPUGEDDMRF-FQEVSTJZSA-N 0 1 387.505 3.267 20 0 GGADMN CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@@H](CO)C(C)(C)C ZINC000134420074 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CC1CCC(N(C)C(=O)CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000134668351 1417110703 /nfs/dbraw/zinc/11/07/03/1417110703.db2.gz SDDDLWNACCBOLN-JDEYZFBPSA-N 0 1 381.561 3.401 20 0 GGADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000134696383 1417113480 /nfs/dbraw/zinc/11/34/80/1417113480.db2.gz LIDVGZPWZAQRPX-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000134724146 1417117334 /nfs/dbraw/zinc/11/73/34/1417117334.db2.gz FAINVUGKTDISDE-FQEVSTJZSA-N 0 1 387.572 3.334 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OCC(F)F)nc1 ZINC000134730992 1417117821 /nfs/dbraw/zinc/11/78/21/1417117821.db2.gz CVIYFRHKWBLALI-UHFFFAOYSA-N 0 1 390.434 3.038 20 0 GGADMN COc1ccc(COCCC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000134751611 1417120643 /nfs/dbraw/zinc/12/06/43/1417120643.db2.gz NDRLWISHCQAYJX-HXUWFJFHSA-N 0 1 386.492 3.457 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)NCCCc1ccccc1 ZINC000134769828 1417123032 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386.415 3.091 20 0 GGADMN CCOc1ccccc1C(F)(F)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000178750509 1429160368 /nfs/dbraw/zinc/16/03/68/1429160368.db2.gz SOPSCYBRZMXCEP-UHFFFAOYSA-N 0 1 389.446 3.353 20 0 GGADMN Cc1cccc2nc(CN3CCC[C@@H]3CC(=O)c3ccc(F)cc3)cc(=O)n12 ZINC000134845083 1417133855 /nfs/dbraw/zinc/13/38/55/1417133855.db2.gz LEMUVFWCMOMTKY-LJQANCHMSA-N 0 1 379.435 3.379 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)CCc2nc(C3CCCC3)no2)n1 ZINC000134847945 1417134180 /nfs/dbraw/zinc/13/41/80/1417134180.db2.gz DTMQDGYLPQPDFM-UHFFFAOYSA-N 0 1 382.424 3.092 20 0 GGADMN CC(C)n1cnnc1C1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000134871674 1417137162 /nfs/dbraw/zinc/13/71/62/1417137162.db2.gz OHSCGMXWJPHJFC-QGZVFWFLSA-N 0 1 381.524 3.012 20 0 GGADMN COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134874630 1417137582 /nfs/dbraw/zinc/13/75/82/1417137582.db2.gz FYIAPXFHXREPOQ-HRAATJIYSA-N 0 1 380.488 3.220 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)Cc2cccc3cccnc32)cc1F ZINC000134896511 1417141192 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CN(C)Cc1ccc(CNC(=O)N2CCc3c(F)ccc(F)c3C2)cc1F ZINC000136249137 1417305332 /nfs/dbraw/zinc/30/53/32/1417305332.db2.gz LDIFBXMPEGUITM-UHFFFAOYSA-N 0 1 377.410 3.433 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000136249438 1417305345 /nfs/dbraw/zinc/30/53/45/1417305345.db2.gz WURNAOOAJAMTKQ-GFCCVEGCSA-N 0 1 377.464 3.128 20 0 GGADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000136261410 1417305774 /nfs/dbraw/zinc/30/57/74/1417305774.db2.gz MPGARYXXAFZMGI-HZPDHXFCSA-N 0 1 384.524 3.381 20 0 GGADMN CCOc1ccc(NC(=O)CCN2CCN(CCOc3ccccc3)CC2)cc1 ZINC000136259435 1417305962 /nfs/dbraw/zinc/30/59/62/1417305962.db2.gz ZPLZCYJSPSPHRW-UHFFFAOYSA-N 0 1 397.519 3.111 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1 ZINC000136289534 1417307621 /nfs/dbraw/zinc/30/76/21/1417307621.db2.gz UJAZQPNUYGYROL-UHFFFAOYSA-N 0 1 393.378 3.204 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cc(-c4ccc(F)cc4)on3)n[nH]2)cc1 ZINC000136289534 1417307629 /nfs/dbraw/zinc/30/76/29/1417307629.db2.gz UJAZQPNUYGYROL-UHFFFAOYSA-N 0 1 393.378 3.204 20 0 GGADMN O=C(CCN1CCN(Cc2ccccn2)CC1)Nc1ccccc1C(F)(F)F ZINC000136318903 1417309401 /nfs/dbraw/zinc/30/94/01/1417309401.db2.gz UHBFKQKFTVYSDG-UHFFFAOYSA-N 0 1 392.425 3.247 20 0 GGADMN CN1CCc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2C1=O ZINC000136415186 1417314981 /nfs/dbraw/zinc/31/49/81/1417314981.db2.gz BYGRARYOUXEBDK-IBGZPJMESA-N 0 1 396.491 3.256 20 0 GGADMN Cc1cccc(C)c1NC(=O)CCCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000136443892 1417317055 /nfs/dbraw/zinc/31/70/55/1417317055.db2.gz DJYRUUKLBOPNFW-IBGZPJMESA-N 0 1 383.492 3.396 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000136470475 1417319842 /nfs/dbraw/zinc/31/98/42/1417319842.db2.gz MAFKUGYQNWQNHO-SCGCMHLBSA-N 0 1 383.895 3.291 20 0 GGADMN CN1CC[C@@H](CNC(=O)N[C@H]2CC[C@H](O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136471690 1417320116 /nfs/dbraw/zinc/32/01/16/1417320116.db2.gz AEFHOQMWWFPCOW-AFIMGQEJSA-N 0 1 383.895 3.075 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000136472737 1417320326 /nfs/dbraw/zinc/32/03/26/1417320326.db2.gz DHEXAYURFWQUDA-HDMKZQKVSA-N 0 1 383.895 3.292 20 0 GGADMN CC1CCC(N(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C2CC2)CC1 ZINC000136651699 1417335562 /nfs/dbraw/zinc/33/55/62/1417335562.db2.gz XMCQCRZIFGECEW-UHFFFAOYSA-N 0 1 385.556 3.086 20 0 GGADMN CC1CCC(NC(=O)CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)CC1 ZINC000136679853 1417337897 /nfs/dbraw/zinc/33/78/97/1417337897.db2.gz NUCVIHJGOCFTHH-QOJXUVEWSA-N 0 1 395.429 3.197 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC3CCN(Cc4ccncc4)CC3)ccc2o1 ZINC000178806155 1429176488 /nfs/dbraw/zinc/17/64/88/1429176488.db2.gz HRJCJSDJKMXKLA-UHFFFAOYSA-N 0 1 394.479 3.075 20 0 GGADMN Cc1cccc(NC(=O)CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000136682241 1417338290 /nfs/dbraw/zinc/33/82/90/1417338290.db2.gz JOYPWBXUJLECFF-QGZVFWFLSA-N 0 1 389.381 3.450 20 0 GGADMN CNC(=O)c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136685649 1417338428 /nfs/dbraw/zinc/33/84/28/1417338428.db2.gz UKAXQTRQHWZNBU-INIZCTEOSA-N 0 1 389.381 3.062 20 0 GGADMN CC(C)Cc1noc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136688057 1417338547 /nfs/dbraw/zinc/33/85/47/1417338547.db2.gz ATPFBHFHVPFTBR-OAHLLOKOSA-N 0 1 380.374 3.284 20 0 GGADMN C[C@H](C[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)N(C)C1CC1 ZINC000736024806 1429176573 /nfs/dbraw/zinc/17/65/73/1429176573.db2.gz FUEZVCMOLXHWCZ-MRXNPFEDSA-N 0 1 392.507 3.018 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000136690244 1417339220 /nfs/dbraw/zinc/33/92/20/1417339220.db2.gz PPYCWVVRFLIMMP-UHFFFAOYSA-N 0 1 384.402 3.229 20 0 GGADMN C[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000136698719 1417339642 /nfs/dbraw/zinc/33/96/42/1417339642.db2.gz FDIZJKCXDDFCJJ-MLGOLLRUSA-N 0 1 395.429 3.340 20 0 GGADMN C[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000136698600 1417339729 /nfs/dbraw/zinc/33/97/29/1417339729.db2.gz FDIZJKCXDDFCJJ-LRDDRELGSA-N 0 1 395.429 3.340 20 0 GGADMN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136695926 1417339746 /nfs/dbraw/zinc/33/97/46/1417339746.db2.gz NSIYJFTWSCNHIM-RISCZKNCSA-N 0 1 383.418 3.196 20 0 GGADMN C[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 ZINC000136698644 1417339867 /nfs/dbraw/zinc/33/98/67/1417339867.db2.gz FDIZJKCXDDFCJJ-WBMJQRKESA-N 0 1 395.429 3.340 20 0 GGADMN CCO[C@H](C)c1noc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136701642 1417340384 /nfs/dbraw/zinc/34/03/84/1417340384.db2.gz OQCSIZAZCMYFIO-QMTHXVAHSA-N 0 1 396.373 3.183 20 0 GGADMN Cc1ccccc1NC(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136702460 1417340400 /nfs/dbraw/zinc/34/04/00/1417340400.db2.gz TYUDXVJTWOHDEO-QGZVFWFLSA-N 0 1 389.381 3.450 20 0 GGADMN C[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000136705357 1417340759 /nfs/dbraw/zinc/34/07/59/1417340759.db2.gz RPUIZFHNRPFTNR-CZUORRHYSA-N 0 1 395.429 3.294 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000136722287 1417341505 /nfs/dbraw/zinc/34/15/05/1417341505.db2.gz MIXMHQASWCXDFL-FZMZJTMJSA-N 0 1 397.401 3.230 20 0 GGADMN CCC1(CC)[C@H](N(C)C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@@H]1OC ZINC000136744951 1417342456 /nfs/dbraw/zinc/34/24/56/1417342456.db2.gz BXHDKGNSVJXTMI-UXHICEINSA-N 0 1 388.556 3.281 20 0 GGADMN CCC1CCC(N(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C2CC2)CC1 ZINC000136757325 1417343891 /nfs/dbraw/zinc/34/38/91/1417343891.db2.gz HJJVNQGFLODNQP-UHFFFAOYSA-N 0 1 399.583 3.476 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cccc(Cl)c2OC(C)C)CCN1C[C@@H](C)O ZINC000136828477 1417348230 /nfs/dbraw/zinc/34/82/30/1417348230.db2.gz NKLJVGRJOHPNBR-CABCVRRESA-N 0 1 383.920 3.436 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1 ZINC000136853957 1417350456 /nfs/dbraw/zinc/35/04/56/1417350456.db2.gz POPIEJVPANAZOF-NQIIRXRSSA-N 0 1 389.471 3.153 20 0 GGADMN C[C@H]1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000136862764 1417351121 /nfs/dbraw/zinc/35/11/21/1417351121.db2.gz NUJUMDRPNHSZQX-INIZCTEOSA-N 0 1 389.446 3.462 20 0 GGADMN CN(Cc1cccc(C(F)(F)F)c1)C1CCN(CCCS(C)(=O)=O)CC1 ZINC000136914595 1417354801 /nfs/dbraw/zinc/35/48/01/1417354801.db2.gz SREUHJIXTLCZTI-UHFFFAOYSA-N 0 1 392.487 3.036 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CCO1 ZINC000136947787 1417356500 /nfs/dbraw/zinc/35/65/00/1417356500.db2.gz HIHXBYTULQCMBV-UXHICEINSA-N 0 1 375.513 3.043 20 0 GGADMN Cc1ccc(-c2nc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)cs2)n1C ZINC000136975567 1417359457 /nfs/dbraw/zinc/35/94/57/1417359457.db2.gz OHSZZEFMCBUVGB-UHFFFAOYSA-N 0 1 383.452 3.445 20 0 GGADMN CCc1nsc(N2CCCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)n1 ZINC000137046412 1417365153 /nfs/dbraw/zinc/36/51/53/1417365153.db2.gz OAVIJVASXIMVIW-UHFFFAOYSA-N 0 1 388.541 3.224 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)N2CCCC2)o1 ZINC000137128678 1417369792 /nfs/dbraw/zinc/36/97/92/1417369792.db2.gz JCFGYAMYKMAZDZ-SFHVURJKSA-N 0 1 385.439 3.179 20 0 GGADMN Cc1ccc(C(=O)Nc2cccc(CNC(=O)CN(C)[C@@H]3CCSC3)c2)cc1 ZINC000137153982 1417371624 /nfs/dbraw/zinc/37/16/24/1417371624.db2.gz HSRWXTNRFHJIPH-HXUWFJFHSA-N 0 1 397.544 3.301 20 0 GGADMN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000137262962 1417378323 /nfs/dbraw/zinc/37/83/23/1417378323.db2.gz YWGKEGHQDCYHTP-HNNXBMFYSA-N 0 1 394.500 3.083 20 0 GGADMN O=C1CCCCN1CC1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000137498110 1417388383 /nfs/dbraw/zinc/38/83/83/1417388383.db2.gz OHMHAHKFGLEWAT-UHFFFAOYSA-N 0 1 385.430 3.247 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2[nH]c1=S ZINC000137605561 1417391629 /nfs/dbraw/zinc/39/16/29/1417391629.db2.gz ODRXPJAQIBCZGA-UHFFFAOYSA-N 0 1 380.473 3.449 20 0 GGADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1noc(-c2ccccc2)n1 ZINC000137775872 1417395013 /nfs/dbraw/zinc/39/50/13/1417395013.db2.gz FWLDMKILPZMNHA-OAHLLOKOSA-N 0 1 397.454 3.368 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cnn1CCC(C)C ZINC000137825795 1417396715 /nfs/dbraw/zinc/39/67/15/1417396715.db2.gz CTHJWBHKUQJOQK-UHFFFAOYSA-N 0 1 379.482 3.200 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1ccco1 ZINC000137866527 1417397828 /nfs/dbraw/zinc/39/78/28/1417397828.db2.gz RTGCLGRGXAFWBW-HOCLYGCPSA-N 0 1 391.434 3.007 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](Cc2nccn2C)C1)c1ccco1 ZINC000137857837 1417397851 /nfs/dbraw/zinc/39/78/51/1417397851.db2.gz OAIIMEPORSPDPG-MSOLQXFVSA-N 0 1 387.528 3.060 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3cn(C)nc3-c3ccncc3)CC2)cc1 ZINC000138355803 1417411961 /nfs/dbraw/zinc/41/19/61/1417411961.db2.gz DSWWCZOHIREWMP-UHFFFAOYSA-N 0 1 389.503 3.139 20 0 GGADMN CCc1ncsc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000138581512 1417425971 /nfs/dbraw/zinc/42/59/71/1417425971.db2.gz HRAGTMPBBHWTMS-AWEZNQCLSA-N 0 1 390.528 3.478 20 0 GGADMN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138580120 1417426650 /nfs/dbraw/zinc/42/66/50/1417426650.db2.gz HIHVVVSIMWWWIB-APWZRJJASA-N 0 1 378.538 3.148 20 0 GGADMN COc1ccc(COCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000138591530 1417427391 /nfs/dbraw/zinc/42/73/91/1417427391.db2.gz MUIFIXBZOMQGHU-UHFFFAOYSA-N 0 1 386.517 3.399 20 0 GGADMN CCCN1CCN(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)CC1 ZINC000138609570 1417428456 /nfs/dbraw/zinc/42/84/56/1417428456.db2.gz FTHDCEDOZCAOGF-UHFFFAOYSA-N 0 1 399.520 3.254 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cn(-c2ccccc2)nn1 ZINC000138607404 1417429254 /nfs/dbraw/zinc/42/92/54/1417429254.db2.gz WMWWFKVYCOHJSE-UHFFFAOYSA-N 0 1 379.489 3.068 20 0 GGADMN CC(=O)c1ccc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000138647140 1417431152 /nfs/dbraw/zinc/43/11/52/1417431152.db2.gz XNMHBXJCQIQWLY-UHFFFAOYSA-N 0 1 384.501 3.456 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)COc2cccc3c2OC(C)(C)C3)CC1 ZINC000138782311 1417436559 /nfs/dbraw/zinc/43/65/59/1417436559.db2.gz JQGZPNMSVZSYPD-UHFFFAOYSA-N 0 1 395.503 3.169 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1C[C@H](CO)OC[C@@H]1C ZINC000138811790 1417438281 /nfs/dbraw/zinc/43/82/81/1417438281.db2.gz 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GGADMN C[C@H]1CCc2c(sc(NC(=O)CC[N@H+]3CCC(C)(C)C3)c2-c2nnn[n-]2)C1 ZINC000820727309 1429270254 /nfs/dbraw/zinc/27/02/54/1429270254.db2.gz KPLOAZAURNSNFR-LBPRGKRZSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CCC(C)(C)C3)c2-c2nn[n-]n2)C1 ZINC000820727309 1429270258 /nfs/dbraw/zinc/27/02/58/1429270258.db2.gz KPLOAZAURNSNFR-LBPRGKRZSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)CC[N@H+]3CCC(C)(C)C3)c2-c2nn[n-]n2)C1 ZINC000820727309 1429270263 /nfs/dbraw/zinc/27/02/63/1429270263.db2.gz KPLOAZAURNSNFR-LBPRGKRZSA-N 0 1 388.541 3.114 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(OCC2CC2)cc1 ZINC000179136565 1429273935 /nfs/dbraw/zinc/27/39/35/1429273935.db2.gz RIIZLQSYCATIEU-NHCUHLMSSA-N 0 1 395.503 3.232 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(OC(C)C)n1 ZINC000179136854 1429274125 /nfs/dbraw/zinc/27/41/25/1429274125.db2.gz NIGSLNMYXLYSIT-UHFFFAOYSA-N 0 1 398.507 3.272 20 0 GGADMN COc1ccc(CCCC(=O)NC2CCN(Cc3cccnc3)CC2)c(OC)c1 ZINC000179144010 1429276496 /nfs/dbraw/zinc/27/64/96/1429276496.db2.gz TUNLIZXDETVGCU-UHFFFAOYSA-N 0 1 397.519 3.202 20 0 GGADMN COC(=O)C[C@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000179170051 1429284340 /nfs/dbraw/zinc/28/43/40/1429284340.db2.gz LAVZJVKGQSIULZ-MSOLQXFVSA-N 0 1 393.915 3.214 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1C ZINC000179173168 1429285307 /nfs/dbraw/zinc/28/53/07/1429285307.db2.gz SGTIHIJJFGQQRA-UHFFFAOYSA-N 0 1 389.433 3.264 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000179180360 1429287889 /nfs/dbraw/zinc/28/78/89/1429287889.db2.gz KYLJHHAMJXKBCM-QFIPXVFZSA-N 0 1 396.535 3.029 20 0 GGADMN CCN(CC(=O)Nc1cc(C(=O)OC)ccc1OCc1ccccc1)C1CC1 ZINC000179183561 1429288097 /nfs/dbraw/zinc/28/80/97/1429288097.db2.gz LABODMAUGKCWJD-UHFFFAOYSA-N 0 1 382.460 3.475 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCC1 ZINC000820893831 1429291028 /nfs/dbraw/zinc/29/10/28/1429291028.db2.gz WWPUBXLNVOYPJS-BEFAXECRSA-N 0 1 399.543 3.128 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccccc2OCC(F)(F)F)C[C@@H]1C ZINC000179211410 1429296270 /nfs/dbraw/zinc/29/62/70/1429296270.db2.gz ZDUUMWMALUFDSG-OKILXGFUSA-N 0 1 389.418 3.201 20 0 GGADMN CN(C)C(=O)[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC000179229376 1429299956 /nfs/dbraw/zinc/29/99/56/1429299956.db2.gz OIYYNLUHXCHOBK-KXBFYZLASA-N 0 1 375.875 3.477 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4ccc(-c5nn[n-]n5)cc4)CC[C@H]32)cc1 ZINC000823781018 1429300891 /nfs/dbraw/zinc/30/08/91/1429300891.db2.gz YQQRNXBNFFBWPC-FCHUYYIVSA-N 0 1 388.519 3.353 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCCn2ccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247498 1429304323 /nfs/dbraw/zinc/30/43/23/1429304323.db2.gz NYWBNCZWHYDOBI-YJBOKZPZSA-N 0 1 393.894 3.058 20 0 GGADMN Cc1cc(NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n(C)n1 ZINC000179247575 1429304378 /nfs/dbraw/zinc/30/43/78/1429304378.db2.gz CLXMWTSBIYFDOD-CXAGYDPISA-N 0 1 379.867 3.336 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccsc1 ZINC000821580023 1429306923 /nfs/dbraw/zinc/30/69/23/1429306923.db2.gz WSSLCIOIDLWAIK-AWEZNQCLSA-N 0 1 391.888 3.006 20 0 GGADMN COc1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000179267906 1429309020 /nfs/dbraw/zinc/30/90/20/1429309020.db2.gz YTCKUXZXRWMOID-UHFFFAOYSA-N 0 1 392.452 3.180 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822596623 1429312544 /nfs/dbraw/zinc/31/25/44/1429312544.db2.gz NRMTWZYRTOLJFD-LJQANCHMSA-N 0 1 398.474 3.343 20 0 GGADMN O=S(=O)(NCc1ccc(Cl)nc1)c1cc(F)c(Br)cc1F ZINC000179284832 1429314324 /nfs/dbraw/zinc/31/43/24/1429314324.db2.gz CHEYJZQDEHAPQS-UHFFFAOYSA-N 0 1 397.628 3.254 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179285589 1429314655 /nfs/dbraw/zinc/31/46/55/1429314655.db2.gz MTYKKWSMKKFOHT-AWEZNQCLSA-N 0 1 399.520 3.139 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CN(CC(F)(F)F)C3CC3)CC2)cc1 ZINC000179305622 1429322392 /nfs/dbraw/zinc/32/23/92/1429322392.db2.gz DZMLLEVLFRJZHB-UHFFFAOYSA-N 0 1 383.458 3.056 20 0 GGADMN COc1ccc(CN2CC[C@H](NCc3cc4cc(OC)ccc4o3)C2=O)cc1 ZINC000179307089 1429322661 /nfs/dbraw/zinc/32/26/61/1429322661.db2.gz BWOFNBJURWQHHW-FQEVSTJZSA-N 0 1 380.444 3.341 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)CCC2 ZINC000179317210 1429326558 /nfs/dbraw/zinc/32/65/58/1429326558.db2.gz XEACXLNUYUQZFW-OAQYLSRUSA-N 0 1 393.535 3.019 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179318899 1429327169 /nfs/dbraw/zinc/32/71/69/1429327169.db2.gz PLJLYNPBAAAIKU-MNEFBYGVSA-N 0 1 376.859 3.322 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(C)nc3onc(C(C)C)c32)CCN1CCOC ZINC000179318092 1429327381 /nfs/dbraw/zinc/32/73/81/1429327381.db2.gz RLINVJDTEPDJBN-INIZCTEOSA-N 0 1 388.512 3.228 20 0 GGADMN c1cc2cnccc2c(C[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826515943 1429328001 /nfs/dbraw/zinc/32/80/01/1429328001.db2.gz QLEXGEFUYSUNJU-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179333335 1429332642 /nfs/dbraw/zinc/33/26/42/1429332642.db2.gz VZLQKPFGTBLGPK-OAHLLOKOSA-N 0 1 394.504 3.176 20 0 GGADMN C[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1nc2c(s1)CCCC2 ZINC000821616996 1429329509 /nfs/dbraw/zinc/32/95/09/1429329509.db2.gz RFVCJHKKFWEICX-UHFFFAOYSA-N 0 1 379.493 3.087 20 0 GGADMN C[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1nc2c(s1)CCCC2 ZINC000821616996 1429329516 /nfs/dbraw/zinc/32/95/16/1429329516.db2.gz RFVCJHKKFWEICX-UHFFFAOYSA-N 0 1 379.493 3.087 20 0 GGADMN CC1CCN(c2ccc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cn2)CC1 ZINC000179327742 1429330033 /nfs/dbraw/zinc/33/00/33/1429330033.db2.gz FLUYELQMEZKLGG-SFHVURJKSA-N 0 1 394.523 3.333 20 0 GGADMN O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179328845 1429330322 /nfs/dbraw/zinc/33/03/22/1429330322.db2.gz QIHLEQOFFGNIHN-AWEZNQCLSA-N 0 1 376.407 3.232 20 0 GGADMN O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179328854 1429330652 /nfs/dbraw/zinc/33/06/52/1429330652.db2.gz QIHLEQOFFGNIHN-CQSZACIVSA-N 0 1 376.407 3.232 20 0 GGADMN COc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc2ccccc21 ZINC000179331482 1429331016 /nfs/dbraw/zinc/33/10/16/1429331016.db2.gz NKAMZGLVSYKUTL-OAHLLOKOSA-N 0 1 377.448 3.259 20 0 GGADMN COc1ccc(CCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(OC)c1 ZINC000179330201 1429331237 /nfs/dbraw/zinc/33/12/37/1429331237.db2.gz ODBYGCQJIDNPHF-KRWDZBQOSA-N 0 1 398.507 3.428 20 0 GGADMN CN1CC[C@@H](CNC(=O)NC[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179330206 1429331266 /nfs/dbraw/zinc/33/12/66/1429331266.db2.gz XOMZTWZFUPUBBD-YEWWUXTCSA-N 0 1 383.895 3.198 20 0 GGADMN O=C(c1cccnc1N1CCCCC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179331171 1429331323 /nfs/dbraw/zinc/33/13/23/1429331323.db2.gz QUUXNENPFCZTGD-INIZCTEOSA-N 0 1 380.496 3.087 20 0 GGADMN O=C(COc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179332549 1429331899 /nfs/dbraw/zinc/33/18/99/1429331899.db2.gz AFFASIRYUPIGCW-ZDUSSCGKSA-N 0 1 394.397 3.486 20 0 GGADMN O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179333326 1429331976 /nfs/dbraw/zinc/33/19/76/1429331976.db2.gz VZLQKPFGTBLGPK-HNNXBMFYSA-N 0 1 394.504 3.176 20 0 GGADMN CC(C)NC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179335461 1429333244 /nfs/dbraw/zinc/33/32/44/1429333244.db2.gz IAYBNRVALWQSDM-MRXNPFEDSA-N 0 1 396.495 3.232 20 0 GGADMN O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179335986 1429333502 /nfs/dbraw/zinc/33/35/02/1429333502.db2.gz MJTOHUPUWOODGY-INIZCTEOSA-N 0 1 390.447 3.284 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1)C1CC1 ZINC000179337049 1429333885 /nfs/dbraw/zinc/33/38/85/1429333885.db2.gz AVYMGXVUZVZERD-INIZCTEOSA-N 0 1 379.464 3.050 20 0 GGADMN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179338137 1429334800 /nfs/dbraw/zinc/33/48/00/1429334800.db2.gz MFPKIZLABFVITP-WCQYABFASA-N 0 1 376.407 3.134 20 0 GGADMN CCOc1cccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c1OC(F)F ZINC000179341097 1429335513 /nfs/dbraw/zinc/33/55/13/1429335513.db2.gz JYJPUGPLVSGSFJ-MRXNPFEDSA-N 0 1 382.451 3.425 20 0 GGADMN COc1ccc(C(=O)CCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179344004 1429336271 /nfs/dbraw/zinc/33/62/71/1429336271.db2.gz JXTKWFWRWMBNEB-QGZVFWFLSA-N 0 1 396.491 3.450 20 0 GGADMN CC(C)NC(=O)Nc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179358652 1429342425 /nfs/dbraw/zinc/34/24/25/1429342425.db2.gz SWWBYIVKHOLQCI-HNNXBMFYSA-N 0 1 396.495 3.232 20 0 GGADMN O=C(CSc1ccc(F)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179351878 1429339728 /nfs/dbraw/zinc/33/97/28/1429339728.db2.gz SEXZFEYUTQPJSV-GFCCVEGCSA-N 0 1 378.448 3.459 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000179350656 1429339832 /nfs/dbraw/zinc/33/98/32/1429339832.db2.gz CKZQFIUWBSHKAZ-AWEZNQCLSA-N 0 1 378.436 3.060 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000820086975 1429340672 /nfs/dbraw/zinc/34/06/72/1429340672.db2.gz IQDANRWOTOXOAB-RTBURBONSA-N 0 1 382.512 3.073 20 0 GGADMN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179355832 1429341321 /nfs/dbraw/zinc/34/13/21/1429341321.db2.gz DKQDQAJYMSHISQ-LBPRGKRZSA-N 0 1 379.386 3.424 20 0 GGADMN CCCOc1ccc(OCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179358162 1429342571 /nfs/dbraw/zinc/34/25/71/1429342571.db2.gz PLTYBRNWFKHTRD-INIZCTEOSA-N 0 1 384.480 3.256 20 0 GGADMN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179349572 1429339015 /nfs/dbraw/zinc/33/90/15/1429339015.db2.gz WJKYBZWDOFDPDP-CYBMUJFWSA-N 0 1 398.492 3.132 20 0 GGADMN O=C(c1ccc(-n2cccn2)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179359894 1429343312 /nfs/dbraw/zinc/34/33/12/1429343312.db2.gz XCOBHKFFDIQMHX-OAHLLOKOSA-N 0 1 380.427 3.027 20 0 GGADMN O=C(Cc1csc(-c2ccccn2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179361371 1429344129 /nfs/dbraw/zinc/34/41/29/1429344129.db2.gz KDKUCABZGYQFKJ-CQSZACIVSA-N 0 1 394.504 3.149 20 0 GGADMN COc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1OC(F)F ZINC000179360895 1429344228 /nfs/dbraw/zinc/34/42/28/1429344228.db2.gz XFBUZMTZJPKZDA-ZDUSSCGKSA-N 0 1 392.406 3.312 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179363234 1429344532 /nfs/dbraw/zinc/34/45/32/1429344532.db2.gz LJTXBLJKYPAPMF-AWEZNQCLSA-N 0 1 391.516 3.082 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179363242 1429344898 /nfs/dbraw/zinc/34/48/98/1429344898.db2.gz LJTXBLJKYPAPMF-CQSZACIVSA-N 0 1 391.516 3.082 20 0 GGADMN CCCc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)[nH]c(C)c1C(C)=O ZINC000179368316 1429347348 /nfs/dbraw/zinc/34/73/48/1429347348.db2.gz UIAAJIAHRJHWGT-HNNXBMFYSA-N 0 1 383.496 3.494 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)CCN1CCN(c3ccccn3)CC1)CCC2 ZINC000179368228 1429347632 /nfs/dbraw/zinc/34/76/32/1429347632.db2.gz XEZKHBSATQKIHR-OAQYLSRUSA-N 0 1 378.520 3.096 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000737031775 1429349219 /nfs/dbraw/zinc/34/92/19/1429349219.db2.gz HIGUAYFKFCKGSD-GOSISDBHSA-N 0 1 397.454 3.100 20 0 GGADMN CCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000179382346 1429351778 /nfs/dbraw/zinc/35/17/78/1429351778.db2.gz QAIJQADZWOLXBX-OAQYLSRUSA-N 0 1 379.504 3.059 20 0 GGADMN COCCO[C@H]1CCCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000179368257 1429347463 /nfs/dbraw/zinc/34/74/63/1429347463.db2.gz INRABOORFBTDSI-IBGZPJMESA-N 0 1 380.504 3.080 20 0 GGADMN O=C(N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C1(c2ccccc2)CCOCC1 ZINC000179368185 1429347484 /nfs/dbraw/zinc/34/74/84/1429347484.db2.gz ZNVBEAYGAWVYCS-QGZVFWFLSA-N 0 1 380.492 3.137 20 0 GGADMN COCCO[C@@H]1CCCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000179368271 1429347527 /nfs/dbraw/zinc/34/75/27/1429347527.db2.gz INRABOORFBTDSI-LJQANCHMSA-N 0 1 380.504 3.080 20 0 GGADMN CCOc1cc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1O ZINC000179392198 1429355961 /nfs/dbraw/zinc/35/59/61/1429355961.db2.gz FNDOHXNIOWQMMP-VZUCSPMQSA-N 0 1 381.476 3.195 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC=C(c3cccc(C)c3)CC2)CC1 ZINC000179398598 1429359309 /nfs/dbraw/zinc/35/93/09/1429359309.db2.gz JVYGSNYQXSUQEU-GOSISDBHSA-N 0 1 384.520 3.274 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccn(Cc4ccncc4)n3)[nH]2)c1 ZINC000179400431 1429359675 /nfs/dbraw/zinc/35/96/75/1429359675.db2.gz NHGINXXFHKSXAM-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN Cc1cc2ncc([C@@H](C)NCc3ccc(CN4CCCC4=O)cc3)c(C)n2n1 ZINC000179402705 1429360230 /nfs/dbraw/zinc/36/02/30/1429360230.db2.gz YLFGUTVQJDLHLB-MRXNPFEDSA-N 0 1 377.492 3.319 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H](Cc3ccccc3)C(=O)N3CCCC3)c(C)n2n1 ZINC000179418013 1429366718 /nfs/dbraw/zinc/36/67/18/1429366718.db2.gz CRVDBPOCESRQDG-DYESRHJHSA-N 0 1 391.519 3.230 20 0 GGADMN Cc1cc2ncc([C@H](C)NC[C@@](O)(c3ccccc3)C(F)(F)F)c(C)n2n1 ZINC000179422194 1429368584 /nfs/dbraw/zinc/36/85/84/1429368584.db2.gz UWUGZNVLTDUJBC-SCLBCKFNSA-N 0 1 378.398 3.447 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000179431730 1429373540 /nfs/dbraw/zinc/37/35/40/1429373540.db2.gz IXQHAIIRTMXCIA-UHFFFAOYSA-N 0 1 391.424 3.344 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccc(N2CCCC2)cc1 ZINC000179441911 1429378033 /nfs/dbraw/zinc/37/80/33/1429378033.db2.gz MTABIUBPLIMRAK-QHCPKHFHSA-N 0 1 393.531 3.498 20 0 GGADMN CC(C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000179444077 1429378416 /nfs/dbraw/zinc/37/84/16/1429378416.db2.gz XHPGUTUSXOQVHU-BAGYTPMASA-N 0 1 397.563 3.018 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cnn(Cc4ccccc4)c3)C2)nc1 ZINC000179444333 1429378736 /nfs/dbraw/zinc/37/87/36/1429378736.db2.gz LJOZINPLJARTDW-NRFANRHFSA-N 0 1 389.503 3.486 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCCCN4CCOCC4)C3)[nH]c2c1 ZINC000179452229 1429381787 /nfs/dbraw/zinc/38/17/87/1429381787.db2.gz CVFUQSOTOQLUPQ-GOSISDBHSA-N 0 1 384.524 3.080 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)c(C)n2n1 ZINC000179453013 1429382009 /nfs/dbraw/zinc/38/20/09/1429382009.db2.gz AUCZZLQVIKGYQC-JSGCOSHPSA-N 0 1 385.418 3.080 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c2ccccn2)c1 ZINC000179458066 1429383033 /nfs/dbraw/zinc/38/30/33/1429383033.db2.gz OVEVUOYPAPKJCW-RBBKRZOGSA-N 0 1 396.535 3.135 20 0 GGADMN CC(C)Cn1ncc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1C1CC1 ZINC000179464587 1429385181 /nfs/dbraw/zinc/38/51/81/1429385181.db2.gz UYRBVUPIDFJPNI-MRXNPFEDSA-N 0 1 382.512 3.432 20 0 GGADMN Cn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(-c2cccs2)n1 ZINC000179464507 1429385191 /nfs/dbraw/zinc/38/51/91/1429385191.db2.gz NTUOGGCYKDMFIQ-CYBMUJFWSA-N 0 1 382.493 3.164 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000179466334 1429385203 /nfs/dbraw/zinc/38/52/03/1429385203.db2.gz AVNUFKCGEITNKC-AWEZNQCLSA-N 0 1 392.931 3.171 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 ZINC000179475088 1429387719 /nfs/dbraw/zinc/38/77/19/1429387719.db2.gz TUJVCRMZPSAMGL-VQTJNVASSA-N 0 1 379.504 3.484 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000179475739 1429387878 /nfs/dbraw/zinc/38/78/78/1429387878.db2.gz NJSJHFAUIXPRMU-ORYQWCPZSA-N 0 1 395.503 3.364 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179478014 1429388666 /nfs/dbraw/zinc/38/86/66/1429388666.db2.gz DFHLKAUKLKZUIO-NHCUHLMSSA-N 0 1 395.503 3.222 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825417411 1429389542 /nfs/dbraw/zinc/38/95/42/1429389542.db2.gz REUYQRMUJIKTDO-UHFFFAOYSA-N 0 1 394.479 3.148 20 0 GGADMN O=C(CN(Cc1cccc(-c2cccnc2)c1)C1CC1)NC(=O)NC1CCCC1 ZINC000179484619 1429389664 /nfs/dbraw/zinc/38/96/64/1429389664.db2.gz WXVAWTLEJTXMLE-UHFFFAOYSA-N 0 1 392.503 3.481 20 0 GGADMN COC(=O)C1CCC(C(=O)Nc2cccc(CN3CCSCC3)c2C)CC1 ZINC000179484882 1429389698 /nfs/dbraw/zinc/38/96/98/1429389698.db2.gz BLDGJAWBSFPILU-UHFFFAOYSA-N 0 1 390.549 3.462 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cnn(C(C)C)c2)C(C)C)cc1 ZINC000179490415 1429391666 /nfs/dbraw/zinc/39/16/66/1429391666.db2.gz DPSXHUIUNHGOLV-HXUWFJFHSA-N 0 1 388.512 3.073 20 0 GGADMN COC(=O)C1CCC(C(=O)Nc2ccc(CN3CCSCC3)cc2C)CC1 ZINC000179486488 1429390216 /nfs/dbraw/zinc/39/02/16/1429390216.db2.gz QBEVXMQASJITLL-UHFFFAOYSA-N 0 1 390.549 3.462 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@H]3CCCN(c4ccccc4F)C3=O)c(C)n2n1 ZINC000179499011 1429396676 /nfs/dbraw/zinc/39/66/76/1429396676.db2.gz LPIDNVICDNWVDY-KSSFIOAISA-N 0 1 381.455 3.331 20 0 GGADMN O=C(c1c2c(sc1-n1cccc1)CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000179501095 1429397933 /nfs/dbraw/zinc/39/79/33/1429397933.db2.gz QPGFXDUXKGPOQT-UHFFFAOYSA-N 0 1 399.560 3.212 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1nc2ccccc2s1 ZINC000179505246 1429399551 /nfs/dbraw/zinc/39/95/51/1429399551.db2.gz AMPGZOQIRFNBMO-ZDUSSCGKSA-N 0 1 382.493 3.110 20 0 GGADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Nc1nc2ccccc2s1 ZINC000179505246 1429399559 /nfs/dbraw/zinc/39/95/59/1429399559.db2.gz AMPGZOQIRFNBMO-ZDUSSCGKSA-N 0 1 382.493 3.110 20 0 GGADMN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504046 1429399714 /nfs/dbraw/zinc/39/97/14/1429399714.db2.gz WDDWHHXOVPMIFT-AAEUAGOBSA-N 0 1 375.423 3.167 20 0 GGADMN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179504046 1429399720 /nfs/dbraw/zinc/39/97/20/1429399720.db2.gz WDDWHHXOVPMIFT-AAEUAGOBSA-N 0 1 375.423 3.167 20 0 GGADMN C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504095 1429399948 /nfs/dbraw/zinc/39/99/48/1429399948.db2.gz LVSLXMSXVJKHQA-YPMHNXCESA-N 0 1 375.423 3.167 20 0 GGADMN C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179504095 1429399953 /nfs/dbraw/zinc/39/99/53/1429399953.db2.gz LVSLXMSXVJKHQA-YPMHNXCESA-N 0 1 375.423 3.167 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1cc(Cl)ccc1F ZINC000179509255 1429402612 /nfs/dbraw/zinc/40/26/12/1429402612.db2.gz CRWNBOPCPLEPAL-LBPRGKRZSA-N 0 1 377.851 3.293 20 0 GGADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Nc1cc(Cl)ccc1F ZINC000179509255 1429402617 /nfs/dbraw/zinc/40/26/17/1429402617.db2.gz CRWNBOPCPLEPAL-LBPRGKRZSA-N 0 1 377.851 3.293 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179512253 1429403405 /nfs/dbraw/zinc/40/34/05/1429403405.db2.gz DBDBNAUZTVAVJY-HOCLYGCPSA-N 0 1 383.496 3.287 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(OC(F)F)cc1 ZINC000179512398 1429403517 /nfs/dbraw/zinc/40/35/17/1429403517.db2.gz DEPOYPXMNDHQCS-ZDUSSCGKSA-N 0 1 391.422 3.102 20 0 GGADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(OC(F)F)cc1 ZINC000179512398 1429403521 /nfs/dbraw/zinc/40/35/21/1429403521.db2.gz DEPOYPXMNDHQCS-ZDUSSCGKSA-N 0 1 391.422 3.102 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824605498 1429404400 /nfs/dbraw/zinc/40/44/00/1429404400.db2.gz IUDZSJJIDPLWON-CYBMUJFWSA-N 0 1 377.477 3.279 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179505486 1429400622 /nfs/dbraw/zinc/40/06/22/1429400622.db2.gz KMWQCJYMPWZFIE-APWZRJJASA-N 0 1 381.524 3.299 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820642991 1429404913 /nfs/dbraw/zinc/40/49/13/1429404913.db2.gz OHDUODPJKKPUBE-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642991 1429404917 /nfs/dbraw/zinc/40/49/17/1429404917.db2.gz OHDUODPJKKPUBE-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642991 1429404922 /nfs/dbraw/zinc/40/49/22/1429404922.db2.gz OHDUODPJKKPUBE-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCN2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000179517521 1429405789 /nfs/dbraw/zinc/40/57/89/1429405789.db2.gz GIMXOGFKHAGOCV-UHFFFAOYSA-N 0 1 391.512 3.075 20 0 GGADMN CCn1nc(C)c(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1C ZINC000179520007 1429406899 /nfs/dbraw/zinc/40/68/99/1429406899.db2.gz HQMLGGZNKUNAJL-SFHVURJKSA-N 0 1 385.512 3.487 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2cccnc2OCC(F)F)cc1 ZINC000179521264 1429407540 /nfs/dbraw/zinc/40/75/40/1429407540.db2.gz HCJUYKUGAFSNHZ-CYBMUJFWSA-N 0 1 399.463 3.338 20 0 GGADMN C[C@H](CC(=O)Nc1cccnc1Cl)NCc1cccnc1OCC(F)F ZINC000179521980 1429408512 /nfs/dbraw/zinc/40/85/12/1429408512.db2.gz OSMRCSBIECTKKV-LLVKDONJSA-N 0 1 384.814 3.281 20 0 GGADMN Cc1ccccc1C[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179529394 1429411144 /nfs/dbraw/zinc/41/11/44/1429411144.db2.gz YLRHOMCHIMHADQ-LBPRGKRZSA-N 0 1 386.402 3.495 20 0 GGADMN CCn1nc(C)c(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000179529606 1429411197 /nfs/dbraw/zinc/41/11/97/1429411197.db2.gz FISASUCWLXKYHF-HOTGVXAUSA-N 0 1 399.539 3.451 20 0 GGADMN COCCn1nc(C)c(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1C ZINC000179551525 1429426254 /nfs/dbraw/zinc/42/62/54/1429426254.db2.gz WEXFGCDMOLOPIS-QGZVFWFLSA-N 0 1 389.500 3.088 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)NNC(=O)c1ccc(Br)s1 ZINC000179560343 1429433884 /nfs/dbraw/zinc/43/38/84/1429433884.db2.gz OAARZAHUKUHMBT-UHFFFAOYSA-N 0 1 392.278 3.386 20 0 GGADMN O=C(c1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1)N1CCCC1 ZINC000179564522 1429436931 /nfs/dbraw/zinc/43/69/31/1429436931.db2.gz ZLNZCZZXRPNXGE-JOCHJYFZSA-N 0 1 391.515 3.376 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001139088975 1429436192 /nfs/dbraw/zinc/43/61/92/1429436192.db2.gz HLAYHWNOEGFGSN-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001139088975 1429436196 /nfs/dbraw/zinc/43/61/96/1429436196.db2.gz HLAYHWNOEGFGSN-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001139088975 1429436200 /nfs/dbraw/zinc/43/62/00/1429436200.db2.gz HLAYHWNOEGFGSN-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826169346 1429439879 /nfs/dbraw/zinc/43/98/79/1429439879.db2.gz PSPWUVASSTUNMG-ZWKOTPCHSA-N 0 1 397.479 3.337 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826169346 1429439883 /nfs/dbraw/zinc/43/98/83/1429439883.db2.gz PSPWUVASSTUNMG-ZWKOTPCHSA-N 0 1 397.479 3.337 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826169346 1429439886 /nfs/dbraw/zinc/43/98/86/1429439886.db2.gz PSPWUVASSTUNMG-ZWKOTPCHSA-N 0 1 397.479 3.337 20 0 GGADMN O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826504856 1429443535 /nfs/dbraw/zinc/44/35/35/1429443535.db2.gz GREJHQCCOPCGGS-VQTJNVASSA-N 0 1 375.476 3.348 20 0 GGADMN CCCCN(Cc1cc(Br)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179567610 1429439229 /nfs/dbraw/zinc/43/92/29/1429439229.db2.gz SPCIVYYMLDLIFZ-HNNXBMFYSA-N 0 1 390.343 3.252 20 0 GGADMN O=C(CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737839440 1429446161 /nfs/dbraw/zinc/44/61/61/1429446161.db2.gz SIXKDDRIGLXBOF-HNNXBMFYSA-N 0 1 396.882 3.338 20 0 GGADMN O=C(CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737839440 1429446164 /nfs/dbraw/zinc/44/61/64/1429446164.db2.gz SIXKDDRIGLXBOF-HNNXBMFYSA-N 0 1 396.882 3.338 20 0 GGADMN O=C(CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737839440 1429446167 /nfs/dbraw/zinc/44/61/67/1429446167.db2.gz SIXKDDRIGLXBOF-HNNXBMFYSA-N 0 1 396.882 3.338 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC[C@@H](OCCO)C1 ZINC000179576570 1429446637 /nfs/dbraw/zinc/44/66/37/1429446637.db2.gz JPKWJPMQUUNOKP-GOSISDBHSA-N 0 1 377.916 3.175 20 0 GGADMN CC(C)(NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 ZINC000179576500 1429446744 /nfs/dbraw/zinc/44/67/44/1429446744.db2.gz SGHJOIHJVJUGLZ-UHFFFAOYSA-N 0 1 398.482 3.027 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@H+]([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000735933432 1429447385 /nfs/dbraw/zinc/44/73/85/1429447385.db2.gz WKZBUFBJEHMKSX-YJBOKZPZSA-N 0 1 395.511 3.245 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179585740 1429454046 /nfs/dbraw/zinc/45/40/46/1429454046.db2.gz UZEXYTWBTQKENG-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577709 1429456442 /nfs/dbraw/zinc/45/64/42/1429456442.db2.gz NKJLLAIFNKASDB-KDOFPFPSSA-N 0 1 384.459 3.477 20 0 GGADMN c1ccc2nc(NC3CC[NH+](CC4CCCC4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802159 1429457099 /nfs/dbraw/zinc/45/70/99/1429457099.db2.gz HZDGLBRPTIPGBA-UHFFFAOYSA-N 0 1 377.496 3.481 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1cccc(OC(F)F)c1 ZINC000179590988 1429457237 /nfs/dbraw/zinc/45/72/37/1429457237.db2.gz ACGAZKZPPPWOIU-LLVKDONJSA-N 0 1 383.420 3.026 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)NC(=O)NCc1ccccc1 ZINC000179595070 1429460822 /nfs/dbraw/zinc/46/08/22/1429460822.db2.gz GIEUYTBMQZKYTE-UONOGXRCSA-N 0 1 391.418 3.353 20 0 GGADMN Cc1cccc(C(C)(C)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000179591941 1429458379 /nfs/dbraw/zinc/45/83/79/1429458379.db2.gz OKSYLXMAQZWNQO-UHFFFAOYSA-N 0 1 381.520 3.500 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000826169343 1429459090 /nfs/dbraw/zinc/45/90/90/1429459090.db2.gz PSPWUVASSTUNMG-MSOLQXFVSA-N 0 1 397.479 3.337 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000826169343 1429459094 /nfs/dbraw/zinc/45/90/94/1429459094.db2.gz PSPWUVASSTUNMG-MSOLQXFVSA-N 0 1 397.479 3.337 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000826169343 1429459095 /nfs/dbraw/zinc/45/90/95/1429459095.db2.gz PSPWUVASSTUNMG-MSOLQXFVSA-N 0 1 397.479 3.337 20 0 GGADMN CCN(CC(=O)NCc1cccs1)C(=O)CNC(C)(C)c1cccc(C)c1 ZINC000179594482 1429459672 /nfs/dbraw/zinc/45/96/72/1429459672.db2.gz MIHOLGROBBVOQY-UHFFFAOYSA-N 0 1 387.549 3.046 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179597352 1429462715 /nfs/dbraw/zinc/46/27/15/1429462715.db2.gz OXMCHTBBZCTNCL-UHFFFAOYSA-N 0 1 387.911 3.419 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179597352 1429462722 /nfs/dbraw/zinc/46/27/22/1429462722.db2.gz OXMCHTBBZCTNCL-UHFFFAOYSA-N 0 1 387.911 3.419 20 0 GGADMN COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179600968 1429465113 /nfs/dbraw/zinc/46/51/13/1429465113.db2.gz PBXLNDIAVMBLDY-GFCCVEGCSA-N 0 1 378.375 3.364 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000179603639 1429466285 /nfs/dbraw/zinc/46/62/85/1429466285.db2.gz HTKWNZTWXAQNMZ-UHFFFAOYSA-N 0 1 387.911 3.482 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179604435 1429467057 /nfs/dbraw/zinc/46/70/57/1429467057.db2.gz DWCXITQFWWBVIG-ZDUSSCGKSA-N 0 1 385.432 3.421 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179606725 1429467961 /nfs/dbraw/zinc/46/79/61/1429467961.db2.gz OMAKOMBQFWKIPB-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000179608031 1429468882 /nfs/dbraw/zinc/46/88/82/1429468882.db2.gz GCVTUQAGRYCTNN-CYBMUJFWSA-N 0 1 384.448 3.389 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1sccc1C(N)=O ZINC000179609266 1429469519 /nfs/dbraw/zinc/46/95/19/1429469519.db2.gz JCNDKVPERAXQMZ-VHSXEESVSA-N 0 1 383.420 3.126 20 0 GGADMN Cc1nnc(SC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000179604388 1429466948 /nfs/dbraw/zinc/46/69/48/1429466948.db2.gz BUCHYCPKOADFFZ-KRWDZBQOSA-N 0 1 388.518 3.233 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000179616301 1429472347 /nfs/dbraw/zinc/47/23/47/1429472347.db2.gz KOSFYAKQVPMOID-ZDUSSCGKSA-N 0 1 384.386 3.455 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cccnc3Cl)[nH]c2c1 ZINC000179617770 1429472846 /nfs/dbraw/zinc/47/28/46/1429472846.db2.gz IDCWQUTUNZCREA-OAHLLOKOSA-N 0 1 383.839 3.222 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000179618314 1429472961 /nfs/dbraw/zinc/47/29/61/1429472961.db2.gz SYUVJCFTJFXZFJ-INIZCTEOSA-N 0 1 386.492 3.126 20 0 GGADMN c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826520735 1429477608 /nfs/dbraw/zinc/47/76/08/1429477608.db2.gz QFXUXWQTVRCJBE-JXFKEZNVSA-N 0 1 379.464 3.003 20 0 GGADMN COc1cc(C)c([C@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000179628049 1429478165 /nfs/dbraw/zinc/47/81/65/1429478165.db2.gz NUKSLDZGARXTLW-HNNXBMFYSA-N 0 1 392.521 3.113 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668328 1429483065 /nfs/dbraw/zinc/48/30/65/1429483065.db2.gz RPYWTGOESSJTTH-KSSFIOAISA-N 0 1 387.447 3.295 20 0 GGADMN Cc1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000179649473 1429489159 /nfs/dbraw/zinc/48/91/59/1429489159.db2.gz AEIVOIKCTQVIFE-KRWDZBQOSA-N 0 1 395.503 3.250 20 0 GGADMN Cc1ccc(C)c(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000179649492 1429489212 /nfs/dbraw/zinc/48/92/12/1429489212.db2.gz AEIVOIKCTQVIFE-QGZVFWFLSA-N 0 1 395.503 3.250 20 0 GGADMN CCOCc1cc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1OC ZINC000179650781 1429489981 /nfs/dbraw/zinc/48/99/81/1429489981.db2.gz XJCKBNIALFFTLM-OAHLLOKOSA-N 0 1 392.521 3.072 20 0 GGADMN CCCc1cc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)n(C)n1 ZINC000179660773 1429495535 /nfs/dbraw/zinc/49/55/35/1429495535.db2.gz WPEPDXHPWNZPJL-GOSISDBHSA-N 0 1 385.512 3.340 20 0 GGADMN CCC[C@H]1CN(C(=O)CCSc2n[nH]c(C)n2)CCN1Cc1ccccc1 ZINC000179655850 1429493231 /nfs/dbraw/zinc/49/32/31/1429493231.db2.gz QBGVODJIQIPHEI-SFHVURJKSA-N 0 1 387.553 3.108 20 0 GGADMN CN1CC[C@H](CNC(=O)NCC2(O)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179656209 1429493403 /nfs/dbraw/zinc/49/34/03/1429493403.db2.gz NLFWCOMTIHQLKL-PBHICJAKSA-N 0 1 383.895 3.076 20 0 GGADMN CCCc1cc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)n(C)n1 ZINC000179660764 1429495632 /nfs/dbraw/zinc/49/56/32/1429495632.db2.gz WPEPDXHPWNZPJL-SFHVURJKSA-N 0 1 385.512 3.340 20 0 GGADMN COC(=O)[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1O ZINC000179660926 1429495470 /nfs/dbraw/zinc/49/54/70/1429495470.db2.gz VHSHJCPGUWFNGB-NSHDSACASA-N 0 1 393.075 3.055 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000179663871 1429497080 /nfs/dbraw/zinc/49/70/80/1429497080.db2.gz XXUPNUSIVJLOGF-INIZCTEOSA-N 0 1 383.492 3.465 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000179663855 1429497293 /nfs/dbraw/zinc/49/72/93/1429497293.db2.gz XXUPNUSIVJLOGF-MRXNPFEDSA-N 0 1 383.492 3.465 20 0 GGADMN O=C(Nc1ccccc1N1CCCC1=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179670529 1429500225 /nfs/dbraw/zinc/50/02/25/1429500225.db2.gz GSVLIXGDRKJXNH-OAHLLOKOSA-N 0 1 394.479 3.220 20 0 GGADMN COC(=O)C1(NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)CCCCC1 ZINC000179666829 1429498244 /nfs/dbraw/zinc/49/82/44/1429498244.db2.gz NUAGIUOUPDPLOW-MRXNPFEDSA-N 0 1 376.497 3.117 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)NCc1ccccc1Cn1cccn1 ZINC000179668923 1429499351 /nfs/dbraw/zinc/49/93/51/1429499351.db2.gz ZRQJRUPDBLTRRM-UHFFFAOYSA-N 0 1 394.906 3.480 20 0 GGADMN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179671737 1429500846 /nfs/dbraw/zinc/50/08/46/1429500846.db2.gz XKSVEMKLRSGFRX-NSHDSACASA-N 0 1 389.843 3.476 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179673191 1429501412 /nfs/dbraw/zinc/50/14/12/1429501412.db2.gz PMGABSWNEODWEO-QGZVFWFLSA-N 0 1 397.519 3.442 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179673179 1429501636 /nfs/dbraw/zinc/50/16/36/1429501636.db2.gz PMGABSWNEODWEO-KRWDZBQOSA-N 0 1 397.519 3.442 20 0 GGADMN O=C(Nc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1)C1CC1 ZINC000179673427 1429501721 /nfs/dbraw/zinc/50/17/21/1429501721.db2.gz NQHMVUZNTGTMIR-OAHLLOKOSA-N 0 1 394.479 3.442 20 0 GGADMN CCC(CC)[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000179673539 1429501757 /nfs/dbraw/zinc/50/17/57/1429501757.db2.gz KEOJLPCYTIAZNP-RBUKOAKNSA-N 0 1 382.932 3.017 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000179674969 1429502140 /nfs/dbraw/zinc/50/21/40/1429502140.db2.gz CRYKLEDYXJUEMF-OLZOCXBDSA-N 0 1 375.494 3.312 20 0 GGADMN CC(C)Oc1cccc([C@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000179675002 1429502494 /nfs/dbraw/zinc/50/24/94/1429502494.db2.gz CRYKLEDYXJUEMF-QWHCGFSZSA-N 0 1 375.494 3.312 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000179677551 1429502897 /nfs/dbraw/zinc/50/28/97/1429502897.db2.gz UBSYUGKDJXUHRA-HNNXBMFYSA-N 0 1 390.505 3.167 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000179679665 1429504410 /nfs/dbraw/zinc/50/44/10/1429504410.db2.gz HMOGQZFPRYSLHB-UHFFFAOYSA-N 0 1 383.879 3.450 20 0 GGADMN O=C(Nc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1)C1CC1 ZINC000179679820 1429504963 /nfs/dbraw/zinc/50/49/63/1429504963.db2.gz LSIJMFJITAPCTQ-OAHLLOKOSA-N 0 1 394.479 3.442 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000179683518 1429506083 /nfs/dbraw/zinc/50/60/83/1429506083.db2.gz MCSQPHIDSDSSAP-ZIAGYGMSSA-N 0 1 382.464 3.321 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000179683492 1429506154 /nfs/dbraw/zinc/50/61/54/1429506154.db2.gz MCSQPHIDSDSSAP-KGLIPLIRSA-N 0 1 382.464 3.321 20 0 GGADMN COCCOc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179684080 1429506191 /nfs/dbraw/zinc/50/61/91/1429506191.db2.gz QOKURQSGQBMOOR-HNNXBMFYSA-N 0 1 385.468 3.119 20 0 GGADMN O=C(NC[C@H]1CCc2ccccc21)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179686466 1429506842 /nfs/dbraw/zinc/50/68/42/1429506842.db2.gz UXAXDZXZNZDQRE-GFCCVEGCSA-N 0 1 384.386 3.285 20 0 GGADMN C[C@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(OCc2ccccn2)c1 ZINC000179685753 1429507006 /nfs/dbraw/zinc/50/70/06/1429507006.db2.gz YOYBFAKGEWBKGQ-AWEZNQCLSA-N 0 1 381.398 3.332 20 0 GGADMN CCOC(=O)C1(C(=O)Nc2ccc(CN3CCSCC3)cc2C)CCC1 ZINC000179687586 1429507401 /nfs/dbraw/zinc/50/74/01/1429507401.db2.gz DNTWYLVUAHZFLZ-UHFFFAOYSA-N 0 1 376.522 3.216 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179686524 1429507517 /nfs/dbraw/zinc/50/75/17/1429507517.db2.gz OOYMYHNQDYAUIV-CQSZACIVSA-N 0 1 379.464 3.290 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cs1 ZINC000179691469 1429508826 /nfs/dbraw/zinc/50/88/26/1429508826.db2.gz IKRSLPOIAUNWST-MRVPVSSYSA-N 0 1 393.419 3.335 20 0 GGADMN O=C(CNC1(c2cccc(F)c2)CC1)NCCc1ccc(OC(F)F)cc1 ZINC000179692931 1429509605 /nfs/dbraw/zinc/50/96/05/1429509605.db2.gz AGZYXXIRIMTZAX-UHFFFAOYSA-N 0 1 378.394 3.365 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823674495 1429509765 /nfs/dbraw/zinc/50/97/65/1429509765.db2.gz QURNBXKANAYZHX-TZIWHRDSSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674495 1429509768 /nfs/dbraw/zinc/50/97/68/1429509768.db2.gz QURNBXKANAYZHX-TZIWHRDSSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674495 1429509772 /nfs/dbraw/zinc/50/97/72/1429509772.db2.gz QURNBXKANAYZHX-TZIWHRDSSA-N 0 1 393.491 3.224 20 0 GGADMN C[C@@H](NCC(=O)N(C)c1nccs1)c1cccc(OCc2ccccn2)c1 ZINC000179693606 1429510201 /nfs/dbraw/zinc/51/02/01/1429510201.db2.gz NMEVDEWPWNUGAP-OAHLLOKOSA-N 0 1 382.489 3.431 20 0 GGADMN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000179697179 1429511280 /nfs/dbraw/zinc/51/12/80/1429511280.db2.gz VJHDVWCCCHJWKM-FDDCHVKYSA-N 0 1 378.520 3.034 20 0 GGADMN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000179697309 1429511461 /nfs/dbraw/zinc/51/14/61/1429511461.db2.gz VJHDVWCCCHJWKM-JPYJTQIMSA-N 0 1 378.520 3.034 20 0 GGADMN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000179697163 1429511539 /nfs/dbraw/zinc/51/15/39/1429511539.db2.gz VJHDVWCCCHJWKM-WZONZLPQSA-N 0 1 378.520 3.034 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2cccnc12 ZINC000179700887 1429512744 /nfs/dbraw/zinc/51/27/44/1429512744.db2.gz FWMGNITZCPQIAV-OAHLLOKOSA-N 0 1 397.504 3.107 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc(C)c1F ZINC000179702938 1429514414 /nfs/dbraw/zinc/51/44/14/1429514414.db2.gz PAFVLSUCSILAIP-CQSZACIVSA-N 0 1 378.473 3.006 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179709923 1429516796 /nfs/dbraw/zinc/51/67/96/1429516796.db2.gz CFZUZAOSUPSWLM-AWEZNQCLSA-N 0 1 382.468 3.442 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NC2CCCC2)ccc1OCc1ccncc1 ZINC000179705675 1429515103 /nfs/dbraw/zinc/51/51/03/1429515103.db2.gz UMRXCOCXUZYFCS-INIZCTEOSA-N 0 1 383.492 3.379 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N2CCCCC2)ccc1OCc1ccncc1 ZINC000179704766 1429515183 /nfs/dbraw/zinc/51/51/83/1429515183.db2.gz SFZZKVUWWDDFTG-QGZVFWFLSA-N 0 1 383.492 3.332 20 0 GGADMN C[C@@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)Oc1ccccc1 ZINC000179704992 1429515280 /nfs/dbraw/zinc/51/52/80/1429515280.db2.gz CGIHQVSLGDRYCX-NSHDSACASA-N 0 1 388.374 3.023 20 0 GGADMN CC(C)C[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)C1 ZINC000820062884 1429518817 /nfs/dbraw/zinc/51/88/17/1429518817.db2.gz RGUOTVQUIDBGAZ-GOSISDBHSA-N 0 1 384.528 3.177 20 0 GGADMN CC(C)C[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)C1 ZINC000820062884 1429518820 /nfs/dbraw/zinc/51/88/20/1429518820.db2.gz RGUOTVQUIDBGAZ-GOSISDBHSA-N 0 1 384.528 3.177 20 0 GGADMN CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179717719 1429520629 /nfs/dbraw/zinc/52/06/29/1429520629.db2.gz ACNDRNMKZGLJFT-OAHLLOKOSA-N 0 1 383.452 3.270 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000179719019 1429520662 /nfs/dbraw/zinc/52/06/62/1429520662.db2.gz XWANYJYWFBJGTL-GXSJLCMTSA-N 0 1 397.344 3.105 20 0 GGADMN Cc1c(C(=O)Nc2cccc(Cl)c2O)cnn1CCO[C@@H]1CCCCO1 ZINC000179721490 1429522096 /nfs/dbraw/zinc/52/20/96/1429522096.db2.gz AVONVFSDMQDASG-MRXNPFEDSA-N 0 1 379.844 3.346 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N2CCO[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000179711187 1429517148 /nfs/dbraw/zinc/51/71/48/1429517148.db2.gz MAGNSIXUMARKFT-ZWKOTPCHSA-N 0 1 398.503 3.172 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NC2CCOCC2)ccc1OCc1ccccc1 ZINC000179710734 1429517215 /nfs/dbraw/zinc/51/72/15/1429517215.db2.gz NISXRRBBRHGUGX-QGZVFWFLSA-N 0 1 398.503 3.220 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000179723177 1429522914 /nfs/dbraw/zinc/52/29/14/1429522914.db2.gz HLRXLUAGOFCFFT-UHFFFAOYSA-N 0 1 398.843 3.222 20 0 GGADMN CC[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccccc1OC(F)F ZINC000179725192 1429523267 /nfs/dbraw/zinc/52/32/67/1429523267.db2.gz BSDLGTYPQWZSDW-INIZCTEOSA-N 0 1 398.450 3.131 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)NC1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000179726201 1429524168 /nfs/dbraw/zinc/52/41/68/1429524168.db2.gz HOHJIZLAGIIOCT-APWZRJJASA-N 0 1 389.540 3.032 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)c1 ZINC000179726282 1429524922 /nfs/dbraw/zinc/52/49/22/1429524922.db2.gz SDVAGXZBDRWVBO-INIZCTEOSA-N 0 1 396.495 3.152 20 0 GGADMN Cc1nn(CCO)c(C)c1CNCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000152360885 1422083708 /nfs/dbraw/zinc/08/37/08/1422083708.db2.gz CIWKNENWMYEJGD-UHFFFAOYSA-N 0 1 396.466 3.173 20 0 GGADMN CC(C)Oc1cccc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c1 ZINC000152381621 1422088398 /nfs/dbraw/zinc/08/83/98/1422088398.db2.gz JOHMJOCWWZEEFH-UHFFFAOYSA-N 0 1 383.473 3.271 20 0 GGADMN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@H](c1ccco1)N1CCCC1 ZINC000152403074 1422093834 /nfs/dbraw/zinc/09/38/34/1422093834.db2.gz NWSRQIBIABXFNJ-LJQANCHMSA-N 0 1 382.439 3.100 20 0 GGADMN CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1 ZINC000152415936 1422097347 /nfs/dbraw/zinc/09/73/47/1422097347.db2.gz HQBOTOMPOCIMIT-UHFFFAOYSA-N 0 1 379.420 3.479 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](CCCO)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000179737480 1429529916 /nfs/dbraw/zinc/52/99/16/1429529916.db2.gz WRVXUAPJKRPTFN-FQEVSTJZSA-N 0 1 396.466 3.362 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC000179737042 1429530019 /nfs/dbraw/zinc/53/00/19/1429530019.db2.gz FYHNHUMPASWAEU-SFHVURJKSA-N 0 1 376.884 3.068 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000152417781 1422098287 /nfs/dbraw/zinc/09/82/87/1422098287.db2.gz STGQTKGSBPOHIJ-UHFFFAOYSA-N 0 1 383.345 3.257 20 0 GGADMN COc1cc(NC(=O)CN[C@@H](CCCO)c2ccccc2)c(OC)cc1Cl ZINC000179737457 1429530112 /nfs/dbraw/zinc/53/01/12/1429530112.db2.gz XSNQYDQIBKAWGK-INIZCTEOSA-N 0 1 392.883 3.399 20 0 GGADMN CCn1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1Cl ZINC000152424679 1422099912 /nfs/dbraw/zinc/09/99/12/1422099912.db2.gz SNOLYZNNQSAHEK-UHFFFAOYSA-N 0 1 375.904 3.177 20 0 GGADMN CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000152424900 1422100145 /nfs/dbraw/zinc/10/01/45/1422100145.db2.gz OLOGHLNXSGTGCT-IBGZPJMESA-N 0 1 391.556 3.271 20 0 GGADMN COc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)nn1 ZINC000152428472 1422101086 /nfs/dbraw/zinc/10/10/86/1422101086.db2.gz UDCFJYKGABMHSR-UHFFFAOYSA-N 0 1 377.379 3.344 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000179739779 1429531450 /nfs/dbraw/zinc/53/14/50/1429531450.db2.gz JNHPMCLTBDABOA-LJQANCHMSA-N 0 1 383.492 3.467 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c(N(C)C)n1 ZINC000152484773 1422116083 /nfs/dbraw/zinc/11/60/83/1422116083.db2.gz JNXHQGHYCJZSLQ-UHFFFAOYSA-N 0 1 396.472 3.000 20 0 GGADMN CCOCCC1(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000152531102 1422133067 /nfs/dbraw/zinc/13/30/67/1422133067.db2.gz NIVHJTFUVIQKHP-UHFFFAOYSA-N 0 1 377.504 3.296 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000152548564 1422138637 /nfs/dbraw/zinc/13/86/37/1422138637.db2.gz XXWZSEHUKXKIGS-IBGZPJMESA-N 0 1 397.523 3.253 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000152548473 1422138801 /nfs/dbraw/zinc/13/88/01/1422138801.db2.gz XXWZSEHUKXKIGS-LJQANCHMSA-N 0 1 397.523 3.253 20 0 GGADMN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000152551662 1422140151 /nfs/dbraw/zinc/14/01/51/1422140151.db2.gz DPNRXODBTGGKGV-HNAYVOBHSA-N 0 1 389.471 3.195 20 0 GGADMN COCCOc1ccccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179745337 1429533989 /nfs/dbraw/zinc/53/39/89/1429533989.db2.gz HZRZZDGZVQYQRW-OAHLLOKOSA-N 0 1 385.468 3.119 20 0 GGADMN C[C@H](C[C@H](O)c1ccco1)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000152551563 1422140862 /nfs/dbraw/zinc/14/08/62/1422140862.db2.gz DPNRXODBTGGKGV-BEFAXECRSA-N 0 1 389.471 3.195 20 0 GGADMN Cc1cc(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[nH]n1 ZINC000152557193 1422142920 /nfs/dbraw/zinc/14/29/20/1422142920.db2.gz XSRUKLKMIABKOA-UHFFFAOYSA-N 0 1 385.471 3.489 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000152580581 1422151375 /nfs/dbraw/zinc/15/13/75/1422151375.db2.gz MODNQUQDRCNOAM-YLJYHZDGSA-N 0 1 385.508 3.409 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)c2)CC1 ZINC000179735385 1429529070 /nfs/dbraw/zinc/52/90/70/1429529070.db2.gz GSHLSGQQORDSGF-FQEVSTJZSA-N 0 1 387.911 3.150 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000152608239 1422161645 /nfs/dbraw/zinc/16/16/45/1422161645.db2.gz PVPAQBFXQCGGDT-WMLDXEAASA-N 0 1 376.884 3.452 20 0 GGADMN O=C(c1ccccc1Cl)N1CCC(NCc2nncn2-c2ccccc2)CC1 ZINC000152617758 1422168646 /nfs/dbraw/zinc/16/86/46/1422168646.db2.gz ZYRMNRQAIMPPGH-UHFFFAOYSA-N 0 1 395.894 3.315 20 0 GGADMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1 ZINC000152623375 1422173162 /nfs/dbraw/zinc/17/31/62/1422173162.db2.gz OVXOQNNXSDQDPM-UHFFFAOYSA-N 0 1 399.266 3.212 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000152627963 1422176570 /nfs/dbraw/zinc/17/65/70/1422176570.db2.gz LIZFYGPRXKJSAH-IBGZPJMESA-N 0 1 385.577 3.462 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](CCCO)c1ccccc1 ZINC000179747681 1429535747 /nfs/dbraw/zinc/53/57/47/1429535747.db2.gz IIHZONHPMPDTSY-QGZVFWFLSA-N 0 1 390.505 3.275 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccccc3NCc3ccco3)CC2)c1 ZINC000152653402 1422190307 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Cc1cccn2c(=O)cc(CN[C@@H](c3ccc4c(c3)OCCO4)C3CC3)nc12 ZINC000179752702 1429539022 /nfs/dbraw/zinc/53/90/22/1429539022.db2.gz YQISPPKHXCBXLC-OAQYLSRUSA-N 0 1 377.444 3.015 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4cccc(-c5nn[n-]n5)c4)CC[C@H]32)cc1 ZINC000823780775 1429539096 /nfs/dbraw/zinc/53/90/96/1429539096.db2.gz VZTIIWIAJSDXGD-FGZHOGPDSA-N 0 1 388.519 3.353 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4cccc(-c5nnn[n-]5)c4)CC[C@H]32)cc1 ZINC000823780775 1429539099 /nfs/dbraw/zinc/53/90/99/1429539099.db2.gz VZTIIWIAJSDXGD-FGZHOGPDSA-N 0 1 388.519 3.353 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4cccc(-c5nnn[n-]5)c4)CC[C@H]32)cc1 ZINC000823780775 1429539101 /nfs/dbraw/zinc/53/91/01/1429539101.db2.gz VZTIIWIAJSDXGD-FGZHOGPDSA-N 0 1 388.519 3.353 20 0 GGADMN CCOCCCNC(=O)[C@@H](C)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152711287 1422219547 /nfs/dbraw/zinc/21/95/47/1422219547.db2.gz WZLHCCVAHXHDES-CVEARBPZSA-N 0 1 379.570 3.133 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@@H](C)CSC)CC1 ZINC000152716975 1422221696 /nfs/dbraw/zinc/22/16/96/1422221696.db2.gz WHPBOQLBHRBLLW-GJZGRUSLSA-N 0 1 382.549 3.079 20 0 GGADMN CSCC[C@H](C)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152716028 1422222103 /nfs/dbraw/zinc/22/21/03/1422222103.db2.gz ACMYRVHVJYZCIF-JKSUJKDBSA-N 0 1 396.576 3.422 20 0 GGADMN CSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152715926 1422222194 /nfs/dbraw/zinc/22/21/94/1422222194.db2.gz ACMYRVHVJYZCIF-CVEARBPZSA-N 0 1 396.576 3.422 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@H](C)CCSC)CC1 ZINC000152717733 1422222791 /nfs/dbraw/zinc/22/27/91/1422222791.db2.gz IUWRNSJNKQIVEB-HZPDHXFCSA-N 0 1 396.576 3.469 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000152722220 1422224847 /nfs/dbraw/zinc/22/48/47/1422224847.db2.gz XESBRLFNYUTGJP-KRWDZBQOSA-N 0 1 393.578 3.465 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)Cc1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000152722220 1422224852 /nfs/dbraw/zinc/22/48/52/1422224852.db2.gz XESBRLFNYUTGJP-KRWDZBQOSA-N 0 1 393.578 3.465 20 0 GGADMN COc1cc(C)c(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000152735268 1422229782 /nfs/dbraw/zinc/22/97/82/1422229782.db2.gz PSBMBMYDHLFTBW-INIZCTEOSA-N 0 1 377.506 3.273 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737511325 1429540338 /nfs/dbraw/zinc/54/03/38/1429540338.db2.gz JTKRAFJBSOSSNM-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000152736433 1422230729 /nfs/dbraw/zinc/23/07/29/1422230729.db2.gz PXWQAEBHEFGVDU-CYBMUJFWSA-N 0 1 398.322 3.415 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000152736188 1422230993 /nfs/dbraw/zinc/23/09/93/1422230993.db2.gz CBNAQQXRTFBLAU-KFKAGJAMSA-N 0 1 394.943 3.111 20 0 GGADMN CN(C)Cc1c2ccccc2oc1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000152770365 1422242871 /nfs/dbraw/zinc/24/28/71/1422242871.db2.gz GCPDKDGHWKOQIC-MHZLTWQESA-N 0 1 384.501 3.173 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2nccn2C)cc1 ZINC000820431840 1429541740 /nfs/dbraw/zinc/54/17/40/1429541740.db2.gz IPTSPNUYFIIHSQ-OAHLLOKOSA-N 0 1 389.463 3.030 20 0 GGADMN CCn1ncc2ccc(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc21 ZINC000179756618 1429541751 /nfs/dbraw/zinc/54/17/51/1429541751.db2.gz RVCMZNRXPLSAIU-OAHLLOKOSA-N 0 1 379.468 3.463 20 0 GGADMN O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000152785218 1422247590 /nfs/dbraw/zinc/24/75/90/1422247590.db2.gz BGVFUUMTKKXHQE-UHFFFAOYSA-N 0 1 380.301 3.147 20 0 GGADMN O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000152785686 1422247832 /nfs/dbraw/zinc/24/78/32/1422247832.db2.gz PCNJHZBIOLTIKO-UHFFFAOYSA-N 0 1 380.301 3.147 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000152799887 1422252506 /nfs/dbraw/zinc/25/25/06/1422252506.db2.gz NTPAGVPJNLKTKN-ZOBUZTSGSA-N 0 1 387.505 3.254 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)nc2C)c1C ZINC000179756603 1429542275 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390.915 3.063 20 0 GGADMN Cc1nc(Br)ccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000179756886 1429542732 /nfs/dbraw/zinc/54/27/32/1429542732.db2.gz LYAMWSIARIMGSR-UHFFFAOYSA-N 0 1 395.234 3.060 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000152822582 1422261223 /nfs/dbraw/zinc/26/12/23/1422261223.db2.gz SQAADSUVMLBQOK-AEFFLSMTSA-N 0 1 384.524 3.344 20 0 GGADMN C[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000179758561 1429543271 /nfs/dbraw/zinc/54/32/71/1429543271.db2.gz VEGWZNYIJHMNEY-QRWLVFNGSA-N 0 1 393.487 3.326 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000152838562 1422267318 /nfs/dbraw/zinc/26/73/18/1422267318.db2.gz MMDOUDWYUWGKGS-UHFFFAOYSA-N 0 1 384.867 3.094 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCOc1ccccc1Cl ZINC000152841985 1422268108 /nfs/dbraw/zinc/26/81/08/1422268108.db2.gz ZVPRTRRMVMADIZ-UHFFFAOYSA-N 0 1 389.883 3.298 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1nn(-c3ccccc3)c3c1CCC3)CC2 ZINC000152841140 1422268197 /nfs/dbraw/zinc/26/81/97/1422268197.db2.gz JWGZPTMYQSXRKG-FCHUYYIVSA-N 0 1 381.520 3.113 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCc1nc2ccccc2s1 ZINC000152851847 1422271426 /nfs/dbraw/zinc/27/14/26/1422271426.db2.gz WMYXVYFWHOQUGU-UHFFFAOYSA-N 0 1 396.516 3.418 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000152858128 1422273492 /nfs/dbraw/zinc/27/34/92/1422273492.db2.gz IEMWXQASUNSZTK-UHFFFAOYSA-N 0 1 378.476 3.290 20 0 GGADMN O=C(NC[C@@H](O)c1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000152859774 1422274043 /nfs/dbraw/zinc/27/40/43/1422274043.db2.gz MCBAEPXZQJOBLI-ZWKOTPCHSA-N 0 1 391.899 3.493 20 0 GGADMN CCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000152860651 1422274153 /nfs/dbraw/zinc/27/41/53/1422274153.db2.gz UEDBBHZJBRQWJJ-UHFFFAOYSA-N 0 1 382.445 3.092 20 0 GGADMN O=C(NC[C@@H](O)c1c(F)cccc1F)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000152861985 1422274212 /nfs/dbraw/zinc/27/42/12/1422274212.db2.gz CXGOYSGKNVXTQR-DLBZAZTESA-N 0 1 393.434 3.118 20 0 GGADMN O=C(NC[C@H](O)c1ccccc1Cl)NC[C@H](c1ccco1)N1CCCCC1 ZINC000152860119 1422274411 /nfs/dbraw/zinc/27/44/11/1422274411.db2.gz MCBAEPXZQJOBLI-MSOLQXFVSA-N 0 1 391.899 3.493 20 0 GGADMN CCOC(=O)c1cnc(C(=O)NC[C@H](c2ccco2)N(CC)CC)c(Cl)c1 ZINC000152866755 1422277022 /nfs/dbraw/zinc/27/70/22/1422277022.db2.gz MAHHIKIRJADFRV-OAHLLOKOSA-N 0 1 393.871 3.318 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000152879008 1422281501 /nfs/dbraw/zinc/28/15/01/1422281501.db2.gz VPIIQFIPBBMDLN-STEAMIEHSA-N 0 1 394.943 3.158 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)c1 ZINC000152892108 1422285610 /nfs/dbraw/zinc/28/56/10/1422285610.db2.gz RCONHEKFFCUWAG-UHFFFAOYSA-N 0 1 390.852 3.233 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000179760589 1429544865 /nfs/dbraw/zinc/54/48/65/1429544865.db2.gz RQTODVDBHRPPBL-IBGZPJMESA-N 0 1 393.531 3.006 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000152922479 1422296588 /nfs/dbraw/zinc/29/65/88/1422296588.db2.gz IATSHVLAVAWQIW-ORYQWCPZSA-N 0 1 382.504 3.419 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000152929681 1422299494 /nfs/dbraw/zinc/29/94/94/1422299494.db2.gz DRPWXFOAUKQBJH-KRWDZBQOSA-N 0 1 377.847 3.145 20 0 GGADMN O=C(CCN1CCc2c(F)cccc2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000152932311 1422300155 /nfs/dbraw/zinc/30/01/55/1422300155.db2.gz SPGPQOSLZRIQOC-UHFFFAOYSA-N 0 1 383.467 3.049 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Cl)c1cccc(F)c1 ZINC000152938645 1422302435 /nfs/dbraw/zinc/30/24/35/1422302435.db2.gz ZPJANNALCHQOOU-ZWKOTPCHSA-N 0 1 379.863 3.115 20 0 GGADMN C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000152944036 1422303635 /nfs/dbraw/zinc/30/36/35/1422303635.db2.gz HXSWQNLFZACONY-HNNXBMFYSA-N 0 1 388.512 3.339 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H](CCCO)c2ccccc2)N(C)C)c1 ZINC000152944945 1422303748 /nfs/dbraw/zinc/30/37/48/1422303748.db2.gz LIDXPLRCENDCHB-RTWAWAEBSA-N 0 1 385.508 3.111 20 0 GGADMN C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000152944164 1422303894 /nfs/dbraw/zinc/30/38/94/1422303894.db2.gz HXSWQNLFZACONY-OAHLLOKOSA-N 0 1 388.512 3.339 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000152948709 1422305363 /nfs/dbraw/zinc/30/53/63/1422305363.db2.gz YGPWFIWFYDJPRH-VHFSOBRXSA-N 0 1 376.497 3.328 20 0 GGADMN CC[C@@H](CSc1ccccc1)NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000152952422 1422305594 /nfs/dbraw/zinc/30/55/94/1422305594.db2.gz PUQBTYNUJCPTOI-MSOLQXFVSA-N 0 1 391.581 3.452 20 0 GGADMN C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)CC1(C)OCCO1 ZINC000152965065 1422310318 /nfs/dbraw/zinc/31/03/18/1422310318.db2.gz BAOYVTSDIZBHRN-SFHVURJKSA-N 0 1 389.540 3.082 20 0 GGADMN CC(C)(C)c1ccc(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000152983844 1422316496 /nfs/dbraw/zinc/31/64/96/1422316496.db2.gz XTOKZRBXHGBYRJ-UHFFFAOYSA-N 0 1 396.560 3.371 20 0 GGADMN COC(=O)c1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000152987615 1422318127 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N[C@H](C(=O)NCC1(c2ccc(F)cc2)CCOCC1)c1cccc(Cl)c1 ZINC000153020446 1422328565 /nfs/dbraw/zinc/32/85/65/1422328565.db2.gz WLYVHDHAIDQRAT-SFHVURJKSA-N 0 1 376.859 3.344 20 0 GGADMN CC(=O)NC[C@@H](OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1)c1ccccc1 ZINC000153021463 1422329572 /nfs/dbraw/zinc/32/95/72/1422329572.db2.gz HIUZNCQIIOLOFN-LJQANCHMSA-N 0 1 390.443 3.383 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@H]2C[C@@H](C)O)cs1 ZINC000153030225 1422332640 /nfs/dbraw/zinc/33/26/40/1422332640.db2.gz ISFTXYODMMHRDO-KDOFPFPSSA-N 0 1 385.533 3.243 20 0 GGADMN Cc1ccc(CNCc2ccc(-n3cncn3)cc2)c(OC[C@H]2CCOC2)c1 ZINC000153039670 1422335403 /nfs/dbraw/zinc/33/54/03/1422335403.db2.gz XPCMRVLJEQYXQX-IBGZPJMESA-N 0 1 378.476 3.281 20 0 GGADMN CC(C)OC(=O)NCc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000153039793 1422335426 /nfs/dbraw/zinc/33/54/26/1422335426.db2.gz QJTRVPKAPROPSZ-UHFFFAOYSA-N 0 1 379.420 3.359 20 0 GGADMN Cc1ccc(CNCc2cn(C)nc2-c2ccncc2)c(OC[C@H]2CCOC2)c1 ZINC000153045109 1422337221 /nfs/dbraw/zinc/33/72/21/1422337221.db2.gz VZXTVDHIQDFSKT-SFHVURJKSA-N 0 1 392.503 3.496 20 0 GGADMN O=C(OC1CCN(CC(F)F)CC1)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153047761 1422338444 /nfs/dbraw/zinc/33/84/44/1422338444.db2.gz QJQMLSADRKPZHJ-UHFFFAOYSA-N 0 1 376.407 3.235 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@H](O)c2ccco2)N2CCCC2)o1 ZINC000153053885 1422340312 /nfs/dbraw/zinc/34/03/12/1422340312.db2.gz GCJXSUOULSKWIO-PVAVHDDUSA-N 0 1 375.469 3.129 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)cc(F)c2)N2CCCC2)cc1 ZINC000153085394 1422351254 /nfs/dbraw/zinc/35/12/54/1422351254.db2.gz MFBPOHUTKVBQES-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000153085690 1422351708 /nfs/dbraw/zinc/35/17/08/1422351708.db2.gz YYQHZTOIWORARB-UHFFFAOYSA-N 0 1 378.476 3.027 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000153090687 1422352961 /nfs/dbraw/zinc/35/29/61/1422352961.db2.gz LWXUHVKLEHMDHN-CRAIPNDOSA-N 0 1 399.466 3.252 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC(c2nncn2C2CC2)CC1 ZINC000153098772 1422356230 /nfs/dbraw/zinc/35/62/30/1422356230.db2.gz QFJSHQAMRXVWRJ-UHFFFAOYSA-N 0 1 380.427 3.162 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)cc3OCC(F)F)ccc2o1 ZINC000179760923 1429545520 /nfs/dbraw/zinc/54/55/20/1429545520.db2.gz ARCWUJTVICJGGH-UHFFFAOYSA-N 0 1 399.346 3.377 20 0 GGADMN CCc1cc2c(CN3CCC(N4CCCCC4=O)CC3)cc(=O)oc2cc1O ZINC000153114423 1422361950 /nfs/dbraw/zinc/36/19/50/1422361950.db2.gz LCWCTUFXTHROQZ-UHFFFAOYSA-N 0 1 384.476 3.038 20 0 GGADMN Cc1cccc([C@@H](NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)C(F)(F)F)c1 ZINC000153120300 1422364255 /nfs/dbraw/zinc/36/42/55/1422364255.db2.gz WNEMJAOPDDICLT-CRAIPNDOSA-N 0 1 399.457 3.493 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000153126301 1422366267 /nfs/dbraw/zinc/36/62/67/1422366267.db2.gz PITLBBAVZDGQKU-UHFFFAOYSA-N 0 1 398.910 3.227 20 0 GGADMN N[C@@H](C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000153138649 1422369289 /nfs/dbraw/zinc/36/92/89/1422369289.db2.gz LHEBOSCRNJCKOX-GOSISDBHSA-N 0 1 386.883 3.153 20 0 GGADMN N[C@H](C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000153138762 1422369357 /nfs/dbraw/zinc/36/93/57/1422369357.db2.gz LHEBOSCRNJCKOX-SFHVURJKSA-N 0 1 386.883 3.153 20 0 GGADMN COC(=O)C1(N(C)C(=O)c2ccc(CN3CCSCC3)cc2)CCCCC1 ZINC000153142145 1422370209 /nfs/dbraw/zinc/37/02/09/1422370209.db2.gz IXNHZRNAIFZSKS-UHFFFAOYSA-N 0 1 390.549 3.183 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000153148740 1422372120 /nfs/dbraw/zinc/37/21/20/1422372120.db2.gz WBAKFCHVHKDDMD-UHFFFAOYSA-N 0 1 389.868 3.164 20 0 GGADMN C[C@H](CNC(=O)c1cn(C)nc1-c1cccs1)N1CCc2ccccc2C1 ZINC000153148966 1422372623 /nfs/dbraw/zinc/37/26/23/1422372623.db2.gz MVQSRCBOCFGVKF-OAHLLOKOSA-N 0 1 380.517 3.325 20 0 GGADMN CC1CCC(N2CCN(C(=O)C(=O)Nc3cccc(-c4ncco4)c3)CC2)CC1 ZINC000153149987 1422373129 /nfs/dbraw/zinc/37/31/29/1422373129.db2.gz VPGYMOAHOZQSNB-UHFFFAOYSA-N 0 1 396.491 3.003 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(Cc3cccc4c3OCO4)CC2)cc1F ZINC000153155289 1422374500 /nfs/dbraw/zinc/37/45/00/1422374500.db2.gz ZKZCKZWLWITYCA-UHFFFAOYSA-N 0 1 384.451 3.391 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2)n[nH]1 ZINC000179776092 1429555226 /nfs/dbraw/zinc/55/52/26/1429555226.db2.gz XBFLPTMROYDPER-HNNXBMFYSA-N 0 1 392.467 3.187 20 0 GGADMN Cc1ccc(-n2nc(C(=O)Nc3ccc4[nH]nnc4c3)c3c2CCC3)c(F)c1 ZINC000153160665 1422377403 /nfs/dbraw/zinc/37/74/03/1422377403.db2.gz JJVULUIGCOEPDX-UHFFFAOYSA-N 0 1 376.395 3.332 20 0 GGADMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000153163052 1422378053 /nfs/dbraw/zinc/37/80/53/1422378053.db2.gz IYMQCMDLPMXGFU-KFWWJZLASA-N 0 1 382.464 3.443 20 0 GGADMN C[C@H](NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000153167071 1422378948 /nfs/dbraw/zinc/37/89/48/1422378948.db2.gz VJCOGOVDVDJNCS-JQHSSLGASA-N 0 1 387.911 3.336 20 0 GGADMN CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139850994 1429555744 /nfs/dbraw/zinc/55/57/44/1429555744.db2.gz YHWRSLZFLCFZJE-UHFFFAOYSA-N 0 1 390.491 3.274 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)ccc2[nH]1 ZINC000153182834 1422384330 /nfs/dbraw/zinc/38/43/30/1422384330.db2.gz KKOPRNGVLJLMGD-YCRPNKLZSA-N 0 1 390.487 3.052 20 0 GGADMN Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C(F)(F)F)c1 ZINC000153184453 1422385286 /nfs/dbraw/zinc/38/52/86/1422385286.db2.gz KEWPUJDSRXDTKF-FUHWJXTLSA-N 0 1 399.457 3.352 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1Cl ZINC000153189719 1422386719 /nfs/dbraw/zinc/38/67/19/1422386719.db2.gz UHFZTNZLEBBAJW-YJBOKZPZSA-N 0 1 385.895 3.224 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179768856 1429551068 /nfs/dbraw/zinc/55/10/68/1429551068.db2.gz YXGDTJIHGBMMTO-INIZCTEOSA-N 0 1 395.503 3.149 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000153210079 1422394963 /nfs/dbraw/zinc/39/49/63/1422394963.db2.gz VJSCOBLEBAIAGD-PXNSSMCTSA-N 0 1 395.503 3.049 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H]3CCN(c4ccccn4)C3)[nH]c2c1 ZINC000153212625 1422395168 /nfs/dbraw/zinc/39/51/68/1422395168.db2.gz DCMQQRWQECVSNP-VQIMIIECSA-N 0 1 390.491 3.392 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000153212453 1422395770 /nfs/dbraw/zinc/39/57/70/1422395770.db2.gz SCORGSQBYDHZDY-ACJLOTCBSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C[C@@H](C)N1 ZINC000153213756 1422396047 /nfs/dbraw/zinc/39/60/47/1422396047.db2.gz BBZCFLZWXMMIQX-QINHECLXSA-N 0 1 399.922 3.410 20 0 GGADMN CCOCCCNC(=O)C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000153216986 1422397126 /nfs/dbraw/zinc/39/71/26/1422397126.db2.gz YRTPCCFAPZZKSX-UHFFFAOYSA-N 0 1 391.531 3.181 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000153215613 1422397187 /nfs/dbraw/zinc/39/71/87/1422397187.db2.gz ITEWQXSJSGWQJN-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000153222231 1422399258 /nfs/dbraw/zinc/39/92/58/1422399258.db2.gz DOICTUCPNZOWQO-HNNXBMFYSA-N 0 1 391.313 3.109 20 0 GGADMN C[C@@H]1CCc2nc(CNc3cccc(CN4CCC[C@@H]4C(N)=O)c3)sc2C1 ZINC000153224165 1422399573 /nfs/dbraw/zinc/39/95/73/1422399573.db2.gz MUBNWQIHSFGAFK-RDTXWAMCSA-N 0 1 384.549 3.330 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179771866 1429552245 /nfs/dbraw/zinc/55/22/45/1429552245.db2.gz ZNLOQLWZIWPWFL-INIZCTEOSA-N 0 1 395.503 3.149 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179772028 1429552577 /nfs/dbraw/zinc/55/25/77/1429552577.db2.gz KRTUDVSGPBMEEG-AWEZNQCLSA-N 0 1 394.475 3.283 20 0 GGADMN CCCCN(CCCC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000153256378 1422421260 /nfs/dbraw/zinc/42/12/60/1422421260.db2.gz ILODLKDSXNLUSS-SFHVURJKSA-N 0 1 380.554 3.311 20 0 GGADMN C[C@H](CNC(=O)/C=C/c1ccc(Cl)nc1)N1CCN(c2ccccc2)CC1 ZINC000153274367 1422432632 /nfs/dbraw/zinc/43/26/32/1422432632.db2.gz JYKPVDPQDJQGNO-SYJIQKIWSA-N 0 1 384.911 3.075 20 0 GGADMN Cc1occc1C(=O)Nc1cc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1F ZINC000153285490 1422440296 /nfs/dbraw/zinc/44/02/96/1422440296.db2.gz PKNUTBXVTWSLQQ-SFHVURJKSA-N 0 1 381.407 3.488 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C)N1CCCC1 ZINC000153286649 1422442353 /nfs/dbraw/zinc/44/23/53/1422442353.db2.gz ZHVYNVKHAXQXSP-DNVCBOLYSA-N 0 1 384.524 3.482 20 0 GGADMN CC(C)(C)CC(C)(C)NC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000153288150 1422442419 /nfs/dbraw/zinc/44/24/19/1422442419.db2.gz YBQDIPJLGGOOSU-UHFFFAOYSA-N 0 1 382.593 3.127 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)N[C@H](c3cccc(C)c3)C(F)(F)F)CCO2)n[nH]1 ZINC000153297025 1422449915 /nfs/dbraw/zinc/44/99/15/1422449915.db2.gz SSTVSTPKOZPLFN-UKRRQHHQSA-N 0 1 397.401 3.062 20 0 GGADMN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179779562 1429558989 /nfs/dbraw/zinc/55/89/89/1429558989.db2.gz MGUMTONOPQNYLE-OAHLLOKOSA-N 0 1 394.479 3.368 20 0 GGADMN O=C(C[C@H]1COCCN1C(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1 ZINC000153308625 1422459551 /nfs/dbraw/zinc/45/95/51/1422459551.db2.gz RKTFZBKUWPHTJG-HNNXBMFYSA-N 0 1 381.457 3.252 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCc4sccc43)cc2)CC1 ZINC000153316423 1422464880 /nfs/dbraw/zinc/46/48/80/1422464880.db2.gz JDAPILILFZQTNS-HXUWFJFHSA-N 0 1 399.560 3.433 20 0 GGADMN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000153316954 1422465440 /nfs/dbraw/zinc/46/54/40/1422465440.db2.gz QWXIYAJETSJDJD-INIZCTEOSA-N 0 1 386.492 3.462 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)NCCCN1CCN(c2ccccc2)CC1 ZINC000179781260 1429559748 /nfs/dbraw/zinc/55/97/48/1429559748.db2.gz IPULYZDVCLKIEI-UHFFFAOYSA-N 0 1 390.531 3.429 20 0 GGADMN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000153325939 1422469783 /nfs/dbraw/zinc/46/97/83/1422469783.db2.gz HZADAKSGLOVLLU-AWEZNQCLSA-N 0 1 384.436 3.087 20 0 GGADMN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000153326024 1422470015 /nfs/dbraw/zinc/47/00/15/1422470015.db2.gz HZADAKSGLOVLLU-CQSZACIVSA-N 0 1 384.436 3.087 20 0 GGADMN CC(C)(CO)[C@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)c1ccccc1 ZINC000824161997 1429562264 /nfs/dbraw/zinc/56/22/64/1429562264.db2.gz BJZZVDLDXOCKFQ-GOSISDBHSA-N 0 1 388.475 3.051 20 0 GGADMN COc1cc(CNc2ccc(N3CCN(C)CC3)nc2)cc(Cl)c1OC ZINC000153335129 1422476843 /nfs/dbraw/zinc/47/68/43/1422476843.db2.gz KYKHDMXCWAUIOW-UHFFFAOYSA-N 0 1 376.888 3.116 20 0 GGADMN CC(=O)OC1CCN(CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000153335164 1422477478 /nfs/dbraw/zinc/47/74/78/1422477478.db2.gz NEYORUGTLLZDQG-QHCPKHFHSA-N 0 1 398.478 3.401 20 0 GGADMN CCN(CC)C(=O)CCC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000153336199 1422478618 /nfs/dbraw/zinc/47/86/18/1422478618.db2.gz LPYOKCSJLBTCHO-UHFFFAOYSA-N 0 1 394.947 3.069 20 0 GGADMN CCN1CCN(c2ccc(CNC(=O)c3ccnc(Cl)c3F)cc2F)CC1 ZINC000153348861 1422484780 /nfs/dbraw/zinc/48/47/80/1422484780.db2.gz CPDPFTQCAXJCMQ-UHFFFAOYSA-N 0 1 394.853 3.085 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179783462 1429561222 /nfs/dbraw/zinc/56/12/22/1429561222.db2.gz VWNBIJVGPGLKBF-MRXNPFEDSA-N 0 1 397.479 3.199 20 0 GGADMN Cc1ccsc1CNC(=O)CNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000153354805 1422487183 /nfs/dbraw/zinc/48/71/83/1422487183.db2.gz HGBMNLHEFKQMGC-CALCHBBNSA-N 0 1 387.549 3.394 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccnc(OC3CCCC3)c2)c1 ZINC000153354953 1422488983 /nfs/dbraw/zinc/48/89/83/1422488983.db2.gz MGHCTXWOVHILSI-HNNXBMFYSA-N 0 1 389.521 3.162 20 0 GGADMN Cc1ccsc1CNC(=O)CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000153355029 1422489373 /nfs/dbraw/zinc/48/93/73/1422489373.db2.gz HGBMNLHEFKQMGC-IRXDYDNUSA-N 0 1 387.549 3.394 20 0 GGADMN CCCCCOc1ccc([C@H](C)NCc2cc(=O)n3nccc3[nH]2)cc1OC ZINC000179784451 1429561718 /nfs/dbraw/zinc/56/17/18/1429561718.db2.gz ZSVJQNNYNQBYLS-HNNXBMFYSA-N 0 1 384.480 3.451 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@H](C)N[C@@H](C)C3)cc12 ZINC000153365458 1422498239 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GGADMN Cc1c(NC(=O)CC2(N3CCOCC3)CCCC2)cnn1-c1ccccc1F ZINC000153428919 1422530846 /nfs/dbraw/zinc/53/08/46/1422530846.db2.gz BUADSHGTAOKDRC-UHFFFAOYSA-N 0 1 386.471 3.293 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3CC(=O)c3ccccc3)n[nH]2)cc1 ZINC000153440265 1422538120 /nfs/dbraw/zinc/53/81/20/1422538120.db2.gz KONKQAJNQOHVNH-LJQANCHMSA-N 0 1 389.455 3.499 20 0 GGADMN O=C(Nc1cccc(CN2CCOCC2)n1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000179789187 1429566208 /nfs/dbraw/zinc/56/62/08/1429566208.db2.gz XVJYKNYXFJPRAS-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000153457066 1422546839 /nfs/dbraw/zinc/54/68/39/1422546839.db2.gz BLXUKGSMURBZEF-HXUWFJFHSA-N 0 1 399.410 3.152 20 0 GGADMN CC[C@H](COC)NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000153471489 1422555491 /nfs/dbraw/zinc/55/54/91/1422555491.db2.gz MYDQDQDERUCKNB-QGZVFWFLSA-N 0 1 390.528 3.438 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000153491999 1422568012 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GGADMN COc1ccc([C@@H]2CCN(CC(=O)N(C)Cc3ccc(OC)c(F)c3)C2)cc1 ZINC000155293284 1423304636 /nfs/dbraw/zinc/30/46/36/1423304636.db2.gz PECKCMFOXONIMK-GOSISDBHSA-N 0 1 386.467 3.291 20 0 GGADMN O=C(NCCCSc1n[nH]c(COc2ccc(Cl)cc2)n1)C(F)(F)F ZINC000155320749 1423315856 /nfs/dbraw/zinc/31/58/56/1423315856.db2.gz FHCVBEBTHMECRQ-UHFFFAOYSA-N 0 1 394.806 3.198 20 0 GGADMN COc1ccc([C@H]2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000155325523 1423318393 /nfs/dbraw/zinc/31/83/93/1423318393.db2.gz UKQMMFZOIFTJGH-RDJZCZTQSA-N 0 1 382.460 3.283 20 0 GGADMN c1c2ccccc2[nH]c1C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522688 1423322801 /nfs/dbraw/zinc/32/28/01/1423322801.db2.gz KNSQSIRHBAYQHC-UHFFFAOYSA-N 0 1 387.491 3.102 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)n[nH]2)cc1OC ZINC000155337749 1423322944 /nfs/dbraw/zinc/32/29/44/1423322944.db2.gz YIUYLZGSNLIEHV-YJBOKZPZSA-N 0 1 397.475 3.458 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)N(C)C)c1 ZINC000155342627 1423325426 /nfs/dbraw/zinc/32/54/26/1423325426.db2.gz WTKGKKYPLIHMPQ-ROUUACIJSA-N 0 1 397.302 3.455 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000155345878 1423326606 /nfs/dbraw/zinc/32/66/06/1423326606.db2.gz QNPGOMSRYYGFHA-KRWDZBQOSA-N 0 1 375.476 3.223 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000155348951 1423327872 /nfs/dbraw/zinc/32/78/72/1423327872.db2.gz VKQRNRPKDZUBIO-DOTOQJQBSA-N 0 1 399.903 3.401 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000155354626 1423329879 /nfs/dbraw/zinc/32/98/79/1423329879.db2.gz IETQCPSUBKAZHN-UHFFFAOYSA-N 0 1 394.378 3.226 20 0 GGADMN CC(C)COc1ncccc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155357004 1423330456 /nfs/dbraw/zinc/33/04/56/1423330456.db2.gz RNFIEOUEOREELL-QGZVFWFLSA-N 0 1 382.508 3.467 20 0 GGADMN CC(C)COc1ncccc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155356902 1423331107 /nfs/dbraw/zinc/33/11/07/1423331107.db2.gz RNFIEOUEOREELL-KRWDZBQOSA-N 0 1 382.508 3.467 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000155358466 1423331645 /nfs/dbraw/zinc/33/16/45/1423331645.db2.gz LTLLITBQUNKUJC-ARFHVFGLSA-N 0 1 386.458 3.500 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000155361414 1423332483 /nfs/dbraw/zinc/33/24/83/1423332483.db2.gz PQOHBUZDVLIGFN-ZIAGYGMSSA-N 0 1 375.444 3.018 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155367749 1423336478 /nfs/dbraw/zinc/33/64/78/1423336478.db2.gz FWJVIRNVPHMRRP-CYBMUJFWSA-N 0 1 383.483 3.015 20 0 GGADMN CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000155385082 1423342863 /nfs/dbraw/zinc/34/28/63/1423342863.db2.gz MFWBKJRKYHDOJL-IBGZPJMESA-N 0 1 389.565 3.273 20 0 GGADMN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824544872 1423345507 /nfs/dbraw/zinc/34/55/07/1423345507.db2.gz AEXZXDLTCXZQPO-GJZGRUSLSA-N 0 1 395.486 3.277 20 0 GGADMN Cc1ccn(C)c(=O)c1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000155401866 1423349413 /nfs/dbraw/zinc/34/94/13/1423349413.db2.gz GEFQUGLNANUEDF-QGZVFWFLSA-N 0 1 388.899 3.306 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155401422 1423349595 /nfs/dbraw/zinc/34/95/95/1423349595.db2.gz IBGPJEFCZGBLPK-OAHLLOKOSA-N 0 1 379.570 3.114 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)C3(c4cccs4)CCCCC3)cn2)CC1 ZINC000155429816 1423359732 /nfs/dbraw/zinc/35/97/32/1423359732.db2.gz GULPBMXOMJAIQC-UHFFFAOYSA-N 0 1 398.576 3.413 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(OCC(F)F)nc2)CC1 ZINC000155448441 1423368498 /nfs/dbraw/zinc/36/84/98/1423368498.db2.gz SIHUNEXGCOXYDJ-AWEZNQCLSA-N 0 1 390.434 3.076 20 0 GGADMN COCCn1nc(C)c(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1C ZINC000155451807 1423369784 /nfs/dbraw/zinc/36/97/84/1423369784.db2.gz JFRDUWBJPWIVCM-UHFFFAOYSA-N 0 1 383.452 3.106 20 0 GGADMN O=C(NCc1nccn1CCCc1ccccc1)c1cccc(-c2nnc[nH]2)c1 ZINC000155452767 1423371063 /nfs/dbraw/zinc/37/10/63/1423371063.db2.gz IYCOYLYLVDQBFB-UHFFFAOYSA-N 0 1 386.459 3.231 20 0 GGADMN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000155464932 1423375192 /nfs/dbraw/zinc/37/51/92/1423375192.db2.gz QNBPVQUNEZFOLN-SFHVURJKSA-N 0 1 398.850 3.244 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179911165 1429636560 /nfs/dbraw/zinc/63/65/60/1429636560.db2.gz PZXAGKOTKOMOGK-UHFFFAOYSA-N 0 1 395.503 3.160 20 0 GGADMN c1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc(N2CCCCC2)[nH+]1 ZINC000826516628 1423379648 /nfs/dbraw/zinc/37/96/48/1423379648.db2.gz TWRCOZUQVOAMOW-UHFFFAOYSA-N 0 1 390.495 3.138 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155475950 1423380194 /nfs/dbraw/zinc/38/01/94/1423380194.db2.gz ZFJCOMWJEJTTFJ-AWEZNQCLSA-N 0 1 381.948 3.390 20 0 GGADMN COc1ccc2cccc(CC(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c2c1 ZINC000155482143 1423381968 /nfs/dbraw/zinc/38/19/68/1423381968.db2.gz OKKNNEZAVYWFNK-UHFFFAOYSA-N 0 1 391.471 3.190 20 0 GGADMN CC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccccc1OCC(=O)N(C)C ZINC000155485241 1423382947 /nfs/dbraw/zinc/38/29/47/1423382947.db2.gz MNFQWFDOUHPYJR-HXUWFJFHSA-N 0 1 383.492 3.353 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2)C[C@H](C)O1 ZINC000155490081 1423384562 /nfs/dbraw/zinc/38/45/62/1423384562.db2.gz ITGOLYACAGFLBT-KBPBESRZSA-N 0 1 394.431 3.171 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000155493531 1423385732 /nfs/dbraw/zinc/38/57/32/1423385732.db2.gz UNADUZBPLALOHA-LJQANCHMSA-N 0 1 388.427 3.441 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)n[nH]1 ZINC000155495374 1423386731 /nfs/dbraw/zinc/38/67/31/1423386731.db2.gz UTLVYSWRCNIIPJ-DIFFPNOSSA-N 0 1 385.493 3.091 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c[nH]c12 ZINC000155506071 1423391149 /nfs/dbraw/zinc/39/11/49/1423391149.db2.gz MZTRMLILQNBMQQ-OAHLLOKOSA-N 0 1 395.503 3.360 20 0 GGADMN COCCCOc1cccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000155523290 1423398404 /nfs/dbraw/zinc/39/84/04/1423398404.db2.gz YFUSDVQLWFFKBO-JOCHJYFZSA-N 0 1 382.504 3.383 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(NC(=O)C2CC2)CC1 ZINC000179915440 1429638388 /nfs/dbraw/zinc/63/83/88/1429638388.db2.gz OTVZDMYUJLZFNH-UHFFFAOYSA-N 0 1 388.462 3.258 20 0 GGADMN CC[C@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(C)noc1C ZINC000179915313 1429638511 /nfs/dbraw/zinc/63/85/11/1429638511.db2.gz JYNJNGFEMKEDJK-NSHDSACASA-N 0 1 391.378 3.311 20 0 GGADMN CCn1nc(C)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1Cl ZINC000155545920 1423411387 /nfs/dbraw/zinc/41/13/87/1423411387.db2.gz HQKQGVDEWRSKLZ-CQSZACIVSA-N 0 1 375.904 3.215 20 0 GGADMN C[S@@](=O)c1ccc(CNCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000155544101 1423411716 /nfs/dbraw/zinc/41/17/16/1423411716.db2.gz CFWZHPOMBJIUDA-MHZLTWQESA-N 0 1 382.485 3.237 20 0 GGADMN COCCOc1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155559376 1423418412 /nfs/dbraw/zinc/41/84/12/1423418412.db2.gz KUFOAJBADUTBHG-QGZVFWFLSA-N 0 1 383.492 3.062 20 0 GGADMN CCc1noc2ncc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc12 ZINC000155591929 1423434955 /nfs/dbraw/zinc/43/49/55/1423434955.db2.gz YXWLPMLCFKTNCN-CQSZACIVSA-N 0 1 379.464 3.136 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155600290 1423439164 /nfs/dbraw/zinc/43/91/64/1423439164.db2.gz IBDYLWNJDRNRKP-UGSOOPFHSA-N 0 1 387.846 3.173 20 0 GGADMN CN1CC[C@H](CNC(=O)COc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155607658 1423442718 /nfs/dbraw/zinc/44/27/18/1423442718.db2.gz MGWPEZVREHFKSS-VLIAUNLRSA-N 0 1 392.858 3.373 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820643222 1423443185 /nfs/dbraw/zinc/44/31/85/1423443185.db2.gz SCVBJLKPZJQWTI-HNAYVOBHSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820643222 1423443187 /nfs/dbraw/zinc/44/31/87/1423443187.db2.gz SCVBJLKPZJQWTI-HNAYVOBHSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820643222 1423443189 /nfs/dbraw/zinc/44/31/89/1423443189.db2.gz SCVBJLKPZJQWTI-HNAYVOBHSA-N 0 1 376.464 3.073 20 0 GGADMN COc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826214792 1423445797 /nfs/dbraw/zinc/44/57/97/1423445797.db2.gz XEUJFFNDQODGFW-INIZCTEOSA-N 0 1 392.507 3.191 20 0 GGADMN CCOC(=O)C1(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000155612414 1423446122 /nfs/dbraw/zinc/44/61/22/1423446122.db2.gz YFYWIUGODUDHMM-WMLDXEAASA-N 0 1 396.890 3.322 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@@H](CNc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cc1 ZINC000823779935 1423446797 /nfs/dbraw/zinc/44/67/97/1423446797.db2.gz LOIXPOKYQULLDS-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@@H+]2CC[C@@H](CNc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000823779935 1423446799 /nfs/dbraw/zinc/44/67/99/1423446799.db2.gz LOIXPOKYQULLDS-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@@H](CNc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000823779935 1423446801 /nfs/dbraw/zinc/44/68/01/1423446801.db2.gz LOIXPOKYQULLDS-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155617188 1423448621 /nfs/dbraw/zinc/44/86/21/1423448621.db2.gz PLJLYNPBAAAIKU-AYOQOUSVSA-N 0 1 376.859 3.322 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(Cn2ccnn2)CC1 ZINC000155617716 1423449172 /nfs/dbraw/zinc/44/91/72/1423449172.db2.gz LCLFKBHSMJEXJV-ZWKOTPCHSA-N 0 1 391.519 3.409 20 0 GGADMN CN(CC(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1)[C@@H]1CCSC1 ZINC000155619575 1423449872 /nfs/dbraw/zinc/44/98/72/1423449872.db2.gz AGKBYAIQJGRBEW-GOSISDBHSA-N 0 1 384.501 3.386 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000155619213 1423450017 /nfs/dbraw/zinc/45/00/17/1423450017.db2.gz WUPJWMJDPCOYRT-LPHOPBHVSA-N 0 1 380.916 3.246 20 0 GGADMN COC(=O)CCCN(Cc1ccccc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000155618670 1423450177 /nfs/dbraw/zinc/45/01/77/1423450177.db2.gz MQZCDYPDKFMYFZ-UHFFFAOYSA-N 0 1 385.489 3.020 20 0 GGADMN COc1c(F)ccc(F)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155618124 1423450380 /nfs/dbraw/zinc/45/03/80/1423450380.db2.gz YQVXNRAABRMGLC-CYBMUJFWSA-N 0 1 375.419 3.324 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cnc(C(F)(F)F)nc1 ZINC000155626637 1423454451 /nfs/dbraw/zinc/45/44/51/1423454451.db2.gz JPYXOEIPEDFKLA-UHFFFAOYSA-N 0 1 382.411 3.297 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)[nH]2)c1 ZINC000155631694 1423456944 /nfs/dbraw/zinc/45/69/44/1423456944.db2.gz NYLZPQPWGIHVOM-UHFFFAOYSA-N 0 1 396.422 3.487 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000155634745 1423459135 /nfs/dbraw/zinc/45/91/35/1423459135.db2.gz CNKUVOIPOVGIFO-JOCHJYFZSA-N 0 1 387.545 3.432 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1-c1nnn[n-]1 ZINC000826194646 1423461302 /nfs/dbraw/zinc/46/13/02/1423461302.db2.gz RQBMQFYWGGTRLY-IBGZPJMESA-N 0 1 378.480 3.278 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000155643801 1423465425 /nfs/dbraw/zinc/46/54/25/1423465425.db2.gz KVRDQTVPQHMUKU-NRFANRHFSA-N 0 1 383.540 3.030 20 0 GGADMN CCCc1ccc([C@H]([NH2+][C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000825348754 1423465525 /nfs/dbraw/zinc/46/55/25/1423465525.db2.gz ZELXWKDLSKVVEH-UXHICEINSA-N 0 1 392.507 3.333 20 0 GGADMN C[C@@H]1OCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000825021252 1423471381 /nfs/dbraw/zinc/47/13/81/1423471381.db2.gz PKWHHPJUYNGYPC-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1OCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000825021252 1423471382 /nfs/dbraw/zinc/47/13/82/1423471382.db2.gz PKWHHPJUYNGYPC-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)[nH]n2)cc1 ZINC000155658771 1423473067 /nfs/dbraw/zinc/47/30/67/1423473067.db2.gz YTKSSDXKPCUCBC-UHFFFAOYSA-N 0 1 378.367 3.057 20 0 GGADMN COc1ccc(CN(Cc2cnn(C)c2C(F)(F)F)[C@H](CO)C(C)C)cc1 ZINC000179927369 1429645636 /nfs/dbraw/zinc/64/56/36/1429645636.db2.gz KSLDAKKOHPNVMN-QGZVFWFLSA-N 0 1 385.430 3.467 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)[nH]n2)c1 ZINC000155674230 1423480252 /nfs/dbraw/zinc/48/02/52/1423480252.db2.gz MTKULGMMDMWRIX-UHFFFAOYSA-N 0 1 378.367 3.057 20 0 GGADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826215141 1423480394 /nfs/dbraw/zinc/48/03/94/1423480394.db2.gz HWDQTAMAQLZQHZ-LIRRHRJNSA-N 0 1 379.464 3.467 20 0 GGADMN Cc1[nH]c(SCC(=O)NC[C@@H](O)c2ccsc2)nc1Cc1ccccc1 ZINC000155674820 1423481853 /nfs/dbraw/zinc/48/18/53/1423481853.db2.gz NIZRSFJGOAOQLH-QGZVFWFLSA-N 0 1 387.530 3.312 20 0 GGADMN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C(O)C1=NN(CC(C)C)C(=O)CC1 ZINC000155680941 1423483851 /nfs/dbraw/zinc/48/38/51/1423483851.db2.gz JEWWXANNNQOETG-HNNXBMFYSA-N 0 1 378.432 3.002 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1 ZINC000179928229 1429646050 /nfs/dbraw/zinc/64/60/50/1429646050.db2.gz SHZSBDLUQBBAIE-KRWDZBQOSA-N 0 1 386.496 3.488 20 0 GGADMN NC(=O)[C@@H](NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000155686855 1423487476 /nfs/dbraw/zinc/48/74/76/1423487476.db2.gz LDSZBDQAHMEEEB-AWEZNQCLSA-N 0 1 387.789 3.339 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H](C)c1ccc(F)cc1 ZINC000736535689 1423488630 /nfs/dbraw/zinc/48/86/30/1423488630.db2.gz XKTLMVZCPKYRJE-CQSZACIVSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000736535689 1423488631 /nfs/dbraw/zinc/48/86/31/1423488631.db2.gz XKTLMVZCPKYRJE-CQSZACIVSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000736535689 1423488634 /nfs/dbraw/zinc/48/86/34/1423488634.db2.gz XKTLMVZCPKYRJE-CQSZACIVSA-N 0 1 382.443 3.418 20 0 GGADMN CC1CCN([C@H](CNC(=O)c2cccc3c2oc(=O)n3C)c2cccs2)CC1 ZINC000155692510 1423489088 /nfs/dbraw/zinc/48/90/88/1423489088.db2.gz YLJMDCXEYFMUNU-QGZVFWFLSA-N 0 1 399.516 3.396 20 0 GGADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000155699490 1423492775 /nfs/dbraw/zinc/49/27/75/1423492775.db2.gz TVYVRJDHWLLEFO-ZIAGYGMSSA-N 0 1 376.888 3.264 20 0 GGADMN Cc1cc([C@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(C)o1 ZINC000179929097 1429647019 /nfs/dbraw/zinc/64/70/19/1429647019.db2.gz VOZLNTMOVMXNJF-QMMMGPOBSA-N 0 1 397.927 3.054 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000155704385 1423496342 /nfs/dbraw/zinc/49/63/42/1423496342.db2.gz XCWZOTGIFGKLLA-GOEBONIOSA-N 0 1 385.468 3.494 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCCc3cc4ccccc4o3)cc2)CC1 ZINC000155705698 1423496916 /nfs/dbraw/zinc/49/69/16/1423496916.db2.gz RKARLTSTCPWJRN-UHFFFAOYSA-N 0 1 377.488 3.153 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cnc12 ZINC000155706628 1423497654 /nfs/dbraw/zinc/49/76/54/1423497654.db2.gz IGJLXOIHDWQTLD-SFHVURJKSA-N 0 1 385.414 3.147 20 0 GGADMN NC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)ccc21 ZINC000155716638 1423502180 /nfs/dbraw/zinc/50/21/80/1423502180.db2.gz OSVTXKYTZCSGCV-UHFFFAOYSA-N 0 1 381.823 3.424 20 0 GGADMN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000155736791 1423510851 /nfs/dbraw/zinc/51/08/51/1423510851.db2.gz LTPQGZDLZXIDAG-GOSISDBHSA-N 0 1 383.540 3.066 20 0 GGADMN C[C@@H]([NH2+]C1(CNc2ccc(-c3nn[n-]n3)cc2F)CCOCC1)c1ccccc1 ZINC000820411286 1423511781 /nfs/dbraw/zinc/51/17/81/1423511781.db2.gz IAUZQKGANSWECD-OAHLLOKOSA-N 0 1 396.470 3.318 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCC3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000155742661 1423513063 /nfs/dbraw/zinc/51/30/63/1423513063.db2.gz VHSQZLFPEFDMLK-UHFFFAOYSA-N 0 1 381.495 3.035 20 0 GGADMN CCC1CCC([N@@H+](CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C2CC2)CC1 ZINC000820971913 1429648982 /nfs/dbraw/zinc/64/89/82/1429648982.db2.gz IBUJZEMTFLHZJE-UHFFFAOYSA-N 0 1 386.500 3.448 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccc2ccccc2c1 ZINC000155757150 1423520474 /nfs/dbraw/zinc/52/04/74/1423520474.db2.gz DTNFONYCEGYMJH-QGZVFWFLSA-N 0 1 377.492 3.021 20 0 GGADMN CC1(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)Cc2ccccc2C1 ZINC000179924031 1429643641 /nfs/dbraw/zinc/64/36/41/1429643641.db2.gz HUVXOUQETCXQCM-UHFFFAOYSA-N 0 1 398.413 3.360 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4ccc(C=O)cc4)C3)[nH]c2c1 ZINC000155770258 1423527001 /nfs/dbraw/zinc/52/70/01/1423527001.db2.gz SQCAJLDTQVDEGS-KRWDZBQOSA-N 0 1 377.444 3.469 20 0 GGADMN Cc1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000155774848 1423528934 /nfs/dbraw/zinc/52/89/34/1423528934.db2.gz RSJGBVLOLGWVOA-IBGZPJMESA-N 0 1 392.459 3.268 20 0 GGADMN O=C(CN1CCC[C@@H](c2nnc3ccccn32)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000155789089 1423535490 /nfs/dbraw/zinc/53/54/90/1423535490.db2.gz BFDVBACBEFWGEY-QRVBRYPASA-N 0 1 381.524 3.090 20 0 GGADMN O=C1[C@H](N2CCC[C@H](c3nnc4ccccn43)C2)CCCN1c1ccccc1 ZINC000155793817 1423536664 /nfs/dbraw/zinc/53/66/64/1423536664.db2.gz MAMTZUBUVSBEFK-PKOBYXMFSA-N 0 1 375.476 3.104 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](c3nnc4ccccn43)C2)CCCN1c1ccccc1 ZINC000155793686 1423536714 /nfs/dbraw/zinc/53/67/14/1423536714.db2.gz MAMTZUBUVSBEFK-HKUYNNGSSA-N 0 1 375.476 3.104 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000155809169 1423542985 /nfs/dbraw/zinc/54/29/85/1423542985.db2.gz WIXAAMSESIZOLG-HUUCEWRRSA-N 0 1 392.521 3.332 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000155811206 1423545034 /nfs/dbraw/zinc/54/50/34/1423545034.db2.gz TVVCRTWTPJGACG-KRWDZBQOSA-N 0 1 389.521 3.059 20 0 GGADMN COC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(CN3CCSCC3)c2)c1C ZINC000155821919 1423547759 /nfs/dbraw/zinc/54/77/59/1423547759.db2.gz RDMJTEJXWNVNOU-UHFFFAOYSA-N 0 1 387.505 3.219 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)CC1CCOCC1 ZINC000155821879 1423547935 /nfs/dbraw/zinc/54/79/35/1423547935.db2.gz UFCSQFMCXPHMRL-QGZVFWFLSA-N 0 1 387.505 3.377 20 0 GGADMN CNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000155840877 1423556548 /nfs/dbraw/zinc/55/65/48/1423556548.db2.gz LQGWWDXILCMAJX-OAHLLOKOSA-N 0 1 387.911 3.387 20 0 GGADMN COCc1nc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000155839660 1423556611 /nfs/dbraw/zinc/55/66/11/1423556611.db2.gz IEEQXAOEOXVVQU-UHFFFAOYSA-N 0 1 377.485 3.131 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cnc2c(C)cc(F)cc2c1O)c1ccco1 ZINC000155875697 1423571987 /nfs/dbraw/zinc/57/19/87/1423571987.db2.gz FHMIOWSZERGDMP-KRWDZBQOSA-N 0 1 385.439 3.382 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)c1cnc2c(C)cc(F)cc2c1[O-])c1ccco1 ZINC000155875697 1423571993 /nfs/dbraw/zinc/57/19/93/1423571993.db2.gz FHMIOWSZERGDMP-KRWDZBQOSA-N 0 1 385.439 3.382 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000179942507 1429654044 /nfs/dbraw/zinc/65/40/44/1429654044.db2.gz DARWJKSMRSZGMH-OAHLLOKOSA-N 0 1 388.489 3.288 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3c[nH]c4ncccc34)cc2)C[C@H](C)O1 ZINC000155892966 1423581105 /nfs/dbraw/zinc/58/11/05/1423581105.db2.gz CXVPFPVCHJEMNN-CALCHBBNSA-N 0 1 392.503 3.031 20 0 GGADMN O=C(NCCc1c(F)cccc1Cl)NC1CCN(Cc2ccccn2)CC1 ZINC000155895890 1423581966 /nfs/dbraw/zinc/58/19/66/1423581966.db2.gz RFZDWUQXCUNGME-UHFFFAOYSA-N 0 1 390.890 3.380 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)CNc3c(C)cccc3C)n2)c(OC)c1 ZINC000155899639 1423584442 /nfs/dbraw/zinc/58/44/42/1423584442.db2.gz AOFKARLHNJNLJD-UHFFFAOYSA-N 0 1 381.436 3.156 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821597665 1423587191 /nfs/dbraw/zinc/58/71/91/1423587191.db2.gz BZHIMALQTHKSEZ-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821597665 1423587196 /nfs/dbraw/zinc/58/71/96/1423587196.db2.gz BZHIMALQTHKSEZ-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821597665 1423587200 /nfs/dbraw/zinc/58/72/00/1423587200.db2.gz BZHIMALQTHKSEZ-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CC[C@H](NCc1cnc2ccc(C)cn12)c1ccccc1OCC(=O)N(C)C ZINC000155905110 1423587579 /nfs/dbraw/zinc/58/75/79/1423587579.db2.gz NJDWAZJUCDVEQM-IBGZPJMESA-N 0 1 380.492 3.351 20 0 GGADMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000155912172 1423591959 /nfs/dbraw/zinc/59/19/59/1423591959.db2.gz GIVSWVCRBNAOAV-INIZCTEOSA-N 0 1 378.476 3.150 20 0 GGADMN CCS(=O)(=O)C[C@H](C)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000155920886 1423595290 /nfs/dbraw/zinc/59/52/90/1423595290.db2.gz KJJSJABXDBPLNI-VIFPVBQESA-N 0 1 388.249 3.381 20 0 GGADMN Cc1noc(C)c1[C@H](C)CC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000155943402 1423604300 /nfs/dbraw/zinc/60/43/00/1423604300.db2.gz RXROFBNNNCGAKF-IAGOWNOFSA-N 0 1 384.524 3.112 20 0 GGADMN O=C(NCCc1ccc(Cl)nc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000155947352 1423604911 /nfs/dbraw/zinc/60/49/11/1423604911.db2.gz DAFKZWQZPNTXTO-UHFFFAOYSA-N 0 1 390.890 3.380 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155977703 1423617181 /nfs/dbraw/zinc/61/71/81/1423617181.db2.gz PZDINTRQTKKLTR-UWJYYQICSA-N 0 1 382.504 3.146 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H](CCSc2cn[nH]n2)c2ccccc2)cc1 ZINC000155980600 1423619274 /nfs/dbraw/zinc/61/92/74/1423619274.db2.gz PTQISRVSKTVZIQ-KRWDZBQOSA-N 0 1 388.518 3.315 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(OC)c(COC)c2)cc1 ZINC000179948026 1429657443 /nfs/dbraw/zinc/65/74/43/1429657443.db2.gz WPJFTHZGSKXPPV-HNNXBMFYSA-N 0 1 377.506 3.486 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccco1 ZINC000155987450 1423622448 /nfs/dbraw/zinc/62/24/48/1423622448.db2.gz CTYJSNXPJQNVFS-ZDUSSCGKSA-N 0 1 396.900 3.171 20 0 GGADMN CCO[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000155991655 1423624218 /nfs/dbraw/zinc/62/42/18/1423624218.db2.gz PZQFOAIMASDVCM-RBUKOAKNSA-N 0 1 388.508 3.012 20 0 GGADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821013996 1423624197 /nfs/dbraw/zinc/62/41/97/1423624197.db2.gz AGIODTNVGGDSCR-BXUZGUMPSA-N 0 1 376.530 3.384 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cnc3c(C)cc(F)cc3c2O)N2CCCC2)o1 ZINC000155997545 1423627564 /nfs/dbraw/zinc/62/75/64/1423627564.db2.gz JKYXQCUJYAABET-GOSISDBHSA-N 0 1 397.450 3.444 20 0 GGADMN O=C(CCN1CCCC1=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156001606 1423628478 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GGADMN Cc1cc(C(=O)CN(C)CC2CCOCC2)c(C)n1NC(=O)c1ccccc1 ZINC000156093031 1423668353 /nfs/dbraw/zinc/66/83/53/1423668353.db2.gz UGKDFUVIPGDUAL-UHFFFAOYSA-N 0 1 383.492 3.030 20 0 GGADMN CCOC(=O)C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000156094317 1423669579 /nfs/dbraw/zinc/66/95/79/1423669579.db2.gz XTEHTEBSXJLYDJ-UYAOXDASSA-N 0 1 388.508 3.166 20 0 GGADMN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000156111247 1423677330 /nfs/dbraw/zinc/67/73/30/1423677330.db2.gz PCEWNBYUUMAPQJ-RXAIFQJESA-N 0 1 390.524 3.375 20 0 GGADMN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000156111127 1423677457 /nfs/dbraw/zinc/67/74/57/1423677457.db2.gz PCEWNBYUUMAPQJ-QZXCRCNTSA-N 0 1 390.524 3.375 20 0 GGADMN CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)C1 ZINC000156112781 1423677930 /nfs/dbraw/zinc/67/79/30/1423677930.db2.gz RXHQWPRYMBSNJQ-SFHVURJKSA-N 0 1 389.459 3.336 20 0 GGADMN CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)C1 ZINC000156112781 1423677936 /nfs/dbraw/zinc/67/79/36/1423677936.db2.gz RXHQWPRYMBSNJQ-SFHVURJKSA-N 0 1 389.459 3.336 20 0 GGADMN CC(C)CS(=O)(=O)CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156121287 1423681312 /nfs/dbraw/zinc/68/13/12/1423681312.db2.gz VJJULXDEWPJNPI-UHFFFAOYSA-N 0 1 398.488 3.148 20 0 GGADMN CC(C)CS(=O)(=O)CC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000156121287 1423681320 /nfs/dbraw/zinc/68/13/20/1423681320.db2.gz VJJULXDEWPJNPI-UHFFFAOYSA-N 0 1 398.488 3.148 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000179958484 1429662273 /nfs/dbraw/zinc/66/22/73/1429662273.db2.gz ZHAHKOJTUBIYLX-SCLBCKFNSA-N 0 1 378.469 3.298 20 0 GGADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CN(C)CC1CCOCC1 ZINC000156139492 1423690097 /nfs/dbraw/zinc/69/00/97/1423690097.db2.gz OUVZBTAADYQRHC-UHFFFAOYSA-N 0 1 382.526 3.093 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)N3CCN(C)C[C@H]3C(C)C)cn2)c1 ZINC000156157002 1423698724 /nfs/dbraw/zinc/69/87/24/1423698724.db2.gz OZJYGBYJICBVPT-FQEVSTJZSA-N 0 1 398.507 3.364 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)co2)cc1 ZINC000156159289 1423699481 /nfs/dbraw/zinc/69/94/81/1423699481.db2.gz NQPMYJFVHJQHNZ-GOSISDBHSA-N 0 1 383.492 3.479 20 0 GGADMN CC(C)CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccn2)cc1 ZINC000156158624 1423699624 /nfs/dbraw/zinc/69/96/24/1423699624.db2.gz PJNDIFWKTNYBON-UHFFFAOYSA-N 0 1 375.494 3.173 20 0 GGADMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)n2)cc1 ZINC000179962649 1429664528 /nfs/dbraw/zinc/66/45/28/1429664528.db2.gz AALIPCSRPBHQMG-INIZCTEOSA-N 0 1 389.521 3.228 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000824585988 1429664662 /nfs/dbraw/zinc/66/46/62/1429664662.db2.gz VTXRZLWBHSBBFD-VIFPVBQESA-N 0 1 394.863 3.400 20 0 GGADMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)n2)cc1 ZINC000179962481 1429664667 /nfs/dbraw/zinc/66/46/67/1429664667.db2.gz AALIPCSRPBHQMG-MRXNPFEDSA-N 0 1 389.521 3.228 20 0 GGADMN CC(C)C[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000735827139 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RBKHAHKPTVJGIQ-UHFFFAOYSA-N 0 1 378.476 3.110 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000156246295 1423742066 /nfs/dbraw/zinc/74/20/66/1423742066.db2.gz XIUXVRGBNSPIGQ-WBVHZDCISA-N 0 1 393.532 3.128 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(C(=O)NC2CC2)cc1 ZINC000156270553 1423751882 /nfs/dbraw/zinc/75/18/82/1423751882.db2.gz ZPIMVVQAYSAKDB-SFHVURJKSA-N 0 1 383.517 3.207 20 0 GGADMN COc1cc(F)ccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000156286502 1423757974 /nfs/dbraw/zinc/75/79/74/1423757974.db2.gz HAOWTFUKKRDFQA-UHFFFAOYSA-N 0 1 386.404 3.378 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 ZINC000156292194 1423761483 /nfs/dbraw/zinc/76/14/83/1423761483.db2.gz QNUZMOBIRNSRCS-UHFFFAOYSA-N 0 1 391.836 3.113 20 0 GGADMN CCc1ccc([C@@H](C)CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000156323907 1423779234 /nfs/dbraw/zinc/77/92/34/1423779234.db2.gz PINSRZNCPIHALA-SFHVURJKSA-N 0 1 380.536 3.206 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cnn(CC(C)C)c3)[nH]c2c1 ZINC000156331047 1423782499 /nfs/dbraw/zinc/78/24/99/1423782499.db2.gz MEZCDMMFSPYFED-SFHVURJKSA-N 0 1 394.479 3.026 20 0 GGADMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(Br)ccc2O)c1 ZINC000156362995 1423798245 /nfs/dbraw/zinc/79/82/45/1423798245.db2.gz OVLRSKIFASULMX-UHFFFAOYSA-N 0 1 384.211 3.432 20 0 GGADMN COC[C@@H](N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(C)o1 ZINC000156381388 1423802477 /nfs/dbraw/zinc/80/24/77/1423802477.db2.gz NTIQMTUAXBWOMU-SUMWQHHRSA-N 0 1 376.453 3.300 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(Cl)ncc1Cl ZINC000156410373 1423806824 /nfs/dbraw/zinc/80/68/24/1423806824.db2.gz IVMPPTWFEIEVCM-WMLDXEAASA-N 0 1 394.302 3.001 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(Cl)ncc1Cl ZINC000156410239 1423806909 /nfs/dbraw/zinc/80/69/09/1423806909.db2.gz IVMPPTWFEIEVCM-RHSMWYFYSA-N 0 1 394.302 3.001 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN(Cc4cccs4)CC3)n[nH]2)c1 ZINC000156438861 1423810923 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CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000156489121 1423817462 /nfs/dbraw/zinc/81/74/62/1423817462.db2.gz OQTXWECDFFJSJK-IBGZPJMESA-N 0 1 395.547 3.266 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCc1ccccc1F ZINC000156502880 1423819950 /nfs/dbraw/zinc/81/99/50/1423819950.db2.gz RDDNZQCLRWPWML-MRXNPFEDSA-N 0 1 385.483 3.054 20 0 GGADMN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000156543343 1423825589 /nfs/dbraw/zinc/82/55/89/1423825589.db2.gz YMSCGIXZMWDFJM-NEPJUHHUSA-N 0 1 395.219 3.359 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C[C@@H](c2ccsc2)O1 ZINC000156544382 1423826017 /nfs/dbraw/zinc/82/60/17/1423826017.db2.gz QYQFUDDEZNFFEM-UWJYYQICSA-N 0 1 399.560 3.098 20 0 GGADMN CC(C)N(CCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1)C(=O)OC(C)(C)C ZINC000820117107 1423829611 /nfs/dbraw/zinc/82/96/11/1423829611.db2.gz VFVKMZILDSRAJN-UHFFFAOYSA-N 0 1 380.518 3.053 20 0 GGADMN Cn1cc(Nc2cccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c2)cn1 ZINC000156570487 1423829795 /nfs/dbraw/zinc/82/97/95/1423829795.db2.gz QEWROBGRSLEMCE-LJQANCHMSA-N 0 1 379.464 3.324 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN(C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000156569633 1423829857 /nfs/dbraw/zinc/82/98/57/1423829857.db2.gz CGVPICXDBVDPKF-GOSISDBHSA-N 0 1 399.516 3.339 20 0 GGADMN O=C(CNCc1cc(Cl)cc2cccnc21)N1CCN(c2ccccc2)CC1 ZINC000156575222 1423831102 /nfs/dbraw/zinc/83/11/02/1423831102.db2.gz YVUPKGXGORRMHO-UHFFFAOYSA-N 0 1 394.906 3.327 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000156580549 1423831889 /nfs/dbraw/zinc/83/18/89/1423831889.db2.gz LGNPDTHWYIUCGF-WMZHIEFXSA-N 0 1 387.568 3.424 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000156581546 1423831985 /nfs/dbraw/zinc/83/19/85/1423831985.db2.gz QCNGQEPRMWSGIH-ZDUSSCGKSA-N 0 1 391.566 3.337 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c(C)c1 ZINC000156586114 1423832790 /nfs/dbraw/zinc/83/27/90/1423832790.db2.gz DAUGDRSIDFWSKW-UHFFFAOYSA-N 0 1 378.432 3.396 20 0 GGADMN COCOc1ccc(OC)cc1CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000156588034 1423833117 /nfs/dbraw/zinc/83/31/17/1423833117.db2.gz CQMHPJAKBPJMCK-INIZCTEOSA-N 0 1 382.464 3.452 20 0 GGADMN COCOc1ccc(OC)cc1CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000156588151 1423833250 /nfs/dbraw/zinc/83/32/50/1423833250.db2.gz CQMHPJAKBPJMCK-MRXNPFEDSA-N 0 1 382.464 3.452 20 0 GGADMN CS(=O)(=O)c1ccc([C@H](O)CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179985573 1429675851 /nfs/dbraw/zinc/67/58/51/1429675851.db2.gz APPYMPLMGDQJIS-GOSISDBHSA-N 0 1 381.444 3.071 20 0 GGADMN O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000156615123 1423836127 /nfs/dbraw/zinc/83/61/27/1423836127.db2.gz XRAJQNFGHMZVKK-HNNXBMFYSA-N 0 1 378.461 3.087 20 0 GGADMN O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000156615123 1423836129 /nfs/dbraw/zinc/83/61/29/1423836129.db2.gz XRAJQNFGHMZVKK-HNNXBMFYSA-N 0 1 378.461 3.087 20 0 GGADMN CN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H](O)C1CC1 ZINC000156617306 1423836187 /nfs/dbraw/zinc/83/61/87/1423836187.db2.gz XFCKEPVSGGSZTB-NZQKXSOJSA-N 0 1 391.515 3.119 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000156621306 1423837111 /nfs/dbraw/zinc/83/71/11/1423837111.db2.gz ALXBHYASRZQEIQ-HKUYNNGSSA-N 0 1 379.504 3.481 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000156621436 1423837170 /nfs/dbraw/zinc/83/71/70/1423837170.db2.gz ALXBHYASRZQEIQ-MJGOQNOKSA-N 0 1 379.504 3.481 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC000156632532 1423838693 /nfs/dbraw/zinc/83/86/93/1423838693.db2.gz SNOZVUBXNQJVIC-MJGOQNOKSA-N 0 1 385.508 3.118 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2OCC2CC2)N(C)C)cc1 ZINC000156645403 1423840187 /nfs/dbraw/zinc/84/01/87/1423840187.db2.gz BIOIESZCRKNNKH-FQEVSTJZSA-N 0 1 395.503 3.141 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000156649149 1423840654 /nfs/dbraw/zinc/84/06/54/1423840654.db2.gz JJQXCAJGFXDOJX-NRFANRHFSA-N 0 1 379.504 3.329 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ncn(-c2ccccc2)n1 ZINC000156651871 1423841031 /nfs/dbraw/zinc/84/10/31/1423841031.db2.gz GRGWYFGIGDUAMK-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1Cl ZINC000179987044 1429676689 /nfs/dbraw/zinc/67/66/89/1429676689.db2.gz AKIAGIAPYHPZQN-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1CN(C)C[C@H]1CCN(C(C)=O)C1 ZINC000156698210 1423850016 /nfs/dbraw/zinc/85/00/16/1423850016.db2.gz UVGWXCILUSFDLG-QGZVFWFLSA-N 0 1 383.492 3.020 20 0 GGADMN COc1ccc(-c2nc(CN(C)C[C@@H]3CCN(C(C)=O)C3)cs2)cc1OC ZINC000156698792 1423850701 /nfs/dbraw/zinc/85/07/01/1423850701.db2.gz OHOTUFIGRGOYJY-HNNXBMFYSA-N 0 1 389.521 3.128 20 0 GGADMN CCCCOc1ccc(-c2nnc(CN(C)C[C@H]3CCN(C(C)=O)C3)o2)cc1 ZINC000156703093 1423851324 /nfs/dbraw/zinc/85/13/24/1423851324.db2.gz NVRVSNIFRNXGRU-QGZVFWFLSA-N 0 1 386.496 3.216 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822595921 1429677328 /nfs/dbraw/zinc/67/73/28/1429677328.db2.gz FLKCSHYPXWFRQT-GOSISDBHSA-N 0 1 377.427 3.230 20 0 GGADMN Cc1nc([C@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccc(Cl)cc2)no1 ZINC000179988185 1429677408 /nfs/dbraw/zinc/67/74/08/1429677408.db2.gz JEABYPWDKJZARA-OAHLLOKOSA-N 0 1 399.806 3.378 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000826246385 1423853513 /nfs/dbraw/zinc/85/35/13/1423853513.db2.gz CKPDPYJXTCWOBG-FQEVSTJZSA-N 0 1 390.491 3.132 20 0 GGADMN Cc1nc([C@H](NS(=O)(=O)c2cc(F)cc(F)c2)c2ccc(Cl)cc2)no1 ZINC000179988412 1429677701 /nfs/dbraw/zinc/67/77/01/1429677701.db2.gz QDKARZOYWFKOLV-OAHLLOKOSA-N 0 1 399.806 3.378 20 0 GGADMN Cc1nc([C@H](NS(=O)(=O)c2cccc(F)c2F)c2ccc(Cl)cc2)no1 ZINC000179988031 1429677726 /nfs/dbraw/zinc/67/77/26/1429677726.db2.gz OGVNCPIPGDBNND-OAHLLOKOSA-N 0 1 399.806 3.378 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCN1CCOC ZINC000156748976 1423858794 /nfs/dbraw/zinc/85/87/94/1423858794.db2.gz XPAUYBLJURBSNL-HXUWFJFHSA-N 0 1 399.539 3.454 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2F)N2CCCC2)cc1 ZINC000156757972 1423860089 /nfs/dbraw/zinc/86/00/89/1423860089.db2.gz KSPQMQGCOUFEST-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN CCn1cc(C2CCN(C(=O)NC[C@H](C)N3CCc4ccccc4C3)CC2)cn1 ZINC000156785954 1423864465 /nfs/dbraw/zinc/86/44/65/1423864465.db2.gz IONNBUNBKXVEKH-SFHVURJKSA-N 0 1 395.551 3.239 20 0 GGADMN CCn1cc(C2CCN(C(=O)NC[C@@H](C)N3CCc4ccccc4C3)CC2)cn1 ZINC000156785821 1423864544 /nfs/dbraw/zinc/86/45/44/1423864544.db2.gz IONNBUNBKXVEKH-GOSISDBHSA-N 0 1 395.551 3.239 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000156795988 1423866282 /nfs/dbraw/zinc/86/62/82/1423866282.db2.gz RREKYMYGOPTXMG-AVRDEDQJSA-N 0 1 399.560 3.062 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c(O[C@H]2CCOC2)c1 ZINC000156843896 1423874249 /nfs/dbraw/zinc/87/42/49/1423874249.db2.gz PVLNDXBQOHRPHI-VXKWHMMOSA-N 0 1 394.515 3.444 20 0 GGADMN CCc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000156845075 1423874300 /nfs/dbraw/zinc/87/43/00/1423874300.db2.gz WUEZOVPASMTELH-QGZVFWFLSA-N 0 1 390.915 3.211 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000156886545 1423880379 /nfs/dbraw/zinc/88/03/79/1423880379.db2.gz OOMUBFBGFKHRJF-UHFFFAOYSA-N 0 1 383.345 3.257 20 0 GGADMN C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000156942255 1423890068 /nfs/dbraw/zinc/89/00/68/1423890068.db2.gz UIHPDOSKNYFEKW-CTNGQTDRSA-N 0 1 386.561 3.445 20 0 GGADMN C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000156942117 1423890280 /nfs/dbraw/zinc/89/02/80/1423890280.db2.gz UIHPDOSKNYFEKW-PZJWPPBQSA-N 0 1 386.561 3.445 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1-c1nn[n-]n1 ZINC000821805454 1423891941 /nfs/dbraw/zinc/89/19/41/1423891941.db2.gz UNJGNNNYFFBQBH-QGZVFWFLSA-N 0 1 377.448 3.411 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000156968912 1423894579 /nfs/dbraw/zinc/89/45/79/1423894579.db2.gz KFUKYYBTYMITMN-UHFFFAOYSA-N 0 1 383.427 3.477 20 0 GGADMN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156970750 1423895114 /nfs/dbraw/zinc/89/51/14/1423895114.db2.gz OFUWDAHTVJBJBV-OXJNMPFZSA-N 0 1 392.503 3.263 20 0 GGADMN Cc1cc(F)ccc1-n1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)nn1 ZINC000179996592 1429680667 /nfs/dbraw/zinc/68/06/67/1429680667.db2.gz KACGEHMISYPDIJ-SFHVURJKSA-N 0 1 399.495 3.343 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)nc1Cc1ccccc1 ZINC000156972438 1423895712 /nfs/dbraw/zinc/89/57/12/1423895712.db2.gz AGABODQDRLDHBK-MJGOQNOKSA-N 0 1 385.533 3.475 20 0 GGADMN C[C@H](C1CC1)n1nccc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000156976173 1423896321 /nfs/dbraw/zinc/89/63/21/1423896321.db2.gz WZKKBGRSHFGPJW-MRXNPFEDSA-N 0 1 375.517 3.011 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000156991683 1423898313 /nfs/dbraw/zinc/89/83/13/1423898313.db2.gz JTRAVLMCIOOJIO-DOTOQJQBSA-N 0 1 398.507 3.242 20 0 GGADMN CCN(C)[C@H](C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1)c1ccccc1 ZINC000157074409 1423918269 /nfs/dbraw/zinc/91/82/69/1423918269.db2.gz VPTSPTWIWPOBOK-IRLDBZIGSA-N 0 1 382.504 3.472 20 0 GGADMN CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000157078268 1423919796 /nfs/dbraw/zinc/91/97/96/1423919796.db2.gz ANNAIXLJMMNNHX-INIZCTEOSA-N 0 1 390.915 3.211 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000157085483 1423921467 /nfs/dbraw/zinc/92/14/67/1423921467.db2.gz OQXTWHIYIMCNFN-QRVBRYPASA-N 0 1 388.556 3.475 20 0 GGADMN CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000157134278 1423933432 /nfs/dbraw/zinc/93/34/32/1423933432.db2.gz HRPSWOIGEWDSDG-KRWDZBQOSA-N 0 1 390.915 3.211 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)N2CCCC2)c1 ZINC000157134761 1423933870 /nfs/dbraw/zinc/93/38/70/1423933870.db2.gz YDJTYWFHUVRXSQ-HXUWFJFHSA-N 0 1 391.475 3.047 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)[nH]n2)cc1 ZINC000157141112 1423935281 /nfs/dbraw/zinc/93/52/81/1423935281.db2.gz JUCVTOLHTZTCKZ-UHFFFAOYSA-N 0 1 392.459 3.299 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264371 1423942397 /nfs/dbraw/zinc/94/23/97/1423942397.db2.gz LZAYQTDWSZYLOR-IAGOWNOFSA-N 0 1 390.491 3.300 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(OCC2CC2)nc1)c1ccc(F)cc1 ZINC000157184560 1423948612 /nfs/dbraw/zinc/94/86/12/1423948612.db2.gz MDWXIQVVKMUKHQ-IBGZPJMESA-N 0 1 386.471 3.112 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(CC)c3ccccc3)ccc2NC1=O ZINC000180003275 1429685276 /nfs/dbraw/zinc/68/52/76/1429685276.db2.gz CTVFHLRGJYYJGX-BEFAXECRSA-N 0 1 381.476 3.500 20 0 GGADMN CN(C(=O)NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CCCc2c1cnn2C ZINC000157188985 1423950245 /nfs/dbraw/zinc/95/02/45/1423950245.db2.gz UMRNCVANHZPAKZ-PKOBYXMFSA-N 0 1 385.512 3.259 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538734 1423951521 /nfs/dbraw/zinc/95/15/21/1423951521.db2.gz KGRRZFGLNNBLMZ-OYYNGEPBSA-N 0 1 396.882 3.143 20 0 GGADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)n2)cc1 ZINC000157201290 1423953460 /nfs/dbraw/zinc/95/34/60/1423953460.db2.gz VHKZCHUMKADYFQ-PKOBYXMFSA-N 0 1 382.508 3.258 20 0 GGADMN C[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2sccc2C1 ZINC000824426520 1423955203 /nfs/dbraw/zinc/95/52/03/1423955203.db2.gz GWWBCNZDEWYQRY-IFXJQAMLSA-N 0 1 394.548 3.342 20 0 GGADMN CCc1oc2ccccc2c1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000157219927 1423958848 /nfs/dbraw/zinc/95/88/48/1423958848.db2.gz HJTWSHYTPFXQRP-GOSISDBHSA-N 0 1 378.472 3.144 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N(CC(C)C)C(C)C)ccc2NC1=O ZINC000180005547 1429686092 /nfs/dbraw/zinc/68/60/92/1429686092.db2.gz IFVNPQNTMKYADG-MAUKXSAKSA-N 0 1 375.513 3.340 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1nnc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000157234341 1423962345 /nfs/dbraw/zinc/96/23/45/1423962345.db2.gz UANSBQAKOYETFO-GOSISDBHSA-N 0 1 397.454 3.020 20 0 GGADMN CCc1c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cnn1CC(C)C ZINC000157235866 1423962744 /nfs/dbraw/zinc/96/27/44/1423962744.db2.gz JAPLRGPDFJVALJ-UHFFFAOYSA-N 0 1 383.540 3.101 20 0 GGADMN CN(C)CCN(Cc1cccc(O)c1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000157249424 1423966213 /nfs/dbraw/zinc/96/62/13/1423966213.db2.gz UVBYJGAXMFMENC-UHFFFAOYSA-N 0 1 394.515 3.434 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)c3cn(C)nc3CC)cc2Cl)CC1 ZINC000180007371 1429686726 /nfs/dbraw/zinc/68/67/26/1429686726.db2.gz LRTRZKLVLZPPDH-UHFFFAOYSA-N 0 1 389.931 3.420 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(OC(C)(C)C)cc1 ZINC000157250926 1423967138 /nfs/dbraw/zinc/96/71/38/1423967138.db2.gz OEIJBZNWCZCPBE-VQIMIIECSA-N 0 1 398.569 3.003 20 0 GGADMN O=C([C@@H]1NCCc2ccccc21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000157254578 1423967819 /nfs/dbraw/zinc/96/78/19/1423967819.db2.gz NNNZHFXDQYJQNU-RTWAWAEBSA-N 0 1 384.907 3.499 20 0 GGADMN C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OC(C)(C)C)cc1 ZINC000157283801 1423973467 /nfs/dbraw/zinc/97/34/67/1423973467.db2.gz HPOALVVOGSHTPO-HOCLYGCPSA-N 0 1 397.562 3.411 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@@](C)(c4ccccc4)C3)n[nH]2)cc1 ZINC000157290571 1423976351 /nfs/dbraw/zinc/97/63/51/1423976351.db2.gz MXIBWMYHNACEKG-JOCHJYFZSA-N 0 1 377.444 3.473 20 0 GGADMN COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826220143 1423979543 /nfs/dbraw/zinc/97/95/43/1423979543.db2.gz DHGQHNFPSJSPKZ-IEBWSBKVSA-N 0 1 390.491 3.121 20 0 GGADMN CC[C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1F ZINC000180008404 1429687827 /nfs/dbraw/zinc/68/78/27/1429687827.db2.gz FLTYDHRGZVOEOM-FQEVSTJZSA-N 0 1 392.496 3.088 20 0 GGADMN Oc1ccc(N2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000157310743 1423981093 /nfs/dbraw/zinc/98/10/93/1423981093.db2.gz TWHUOTZAQMZUFJ-UHFFFAOYSA-N 0 1 384.867 3.460 20 0 GGADMN CC[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccc(C)cc1 ZINC000157314360 1423982349 /nfs/dbraw/zinc/98/23/49/1423982349.db2.gz URUFPDOHJPZZSF-LJQANCHMSA-N 0 1 380.536 3.342 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000157325917 1423985699 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20 0 GGADMN CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1cccc(OC)c1 ZINC000825435199 1423997502 /nfs/dbraw/zinc/99/75/02/1423997502.db2.gz PGFZKJSQRXMDGN-CQSZACIVSA-N 0 1 395.463 3.245 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1cccc(OC)c1 ZINC000825435199 1423997503 /nfs/dbraw/zinc/99/75/03/1423997503.db2.gz PGFZKJSQRXMDGN-CQSZACIVSA-N 0 1 395.463 3.245 20 0 GGADMN O=c1[nH]c(CN2CCN(CCCc3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000157384366 1423999733 /nfs/dbraw/zinc/99/97/33/1423999733.db2.gz QVSNVPOXBXYHOB-UHFFFAOYSA-N 0 1 396.922 3.327 20 0 GGADMN Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000157445459 1424012716 /nfs/dbraw/zinc/01/27/16/1424012716.db2.gz OAJRMSKTDJHIDO-OAQYLSRUSA-N 0 1 383.488 3.344 20 0 GGADMN CCc1c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cnn1CC(C)C ZINC000157443785 1424012731 /nfs/dbraw/zinc/01/27/31/1424012731.db2.gz IYSVVCPDBBZONB-UHFFFAOYSA-N 0 1 383.540 3.101 20 0 GGADMN O=C(c1ccc(O)cc1)C1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000157443883 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3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001139850730 1424125970 /nfs/dbraw/zinc/12/59/70/1424125970.db2.gz MJUKZPFSHHNTCY-OAQYLSRUSA-N 0 1 398.511 3.090 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N[C@@H](C)c3cccs3)ccc2NC1=O ZINC000180025685 1429700710 /nfs/dbraw/zinc/70/07/10/1429700710.db2.gz BRAWUQLGNIEIGD-WWGRRREGSA-N 0 1 387.505 3.386 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000157960080 1424129565 /nfs/dbraw/zinc/12/95/65/1424129565.db2.gz QZTVWQABXAIGAV-INIZCTEOSA-N 0 1 377.529 3.184 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N[C@@H](C)c3cccs3)ccc2NC1=O ZINC000180025701 1429700796 /nfs/dbraw/zinc/70/07/96/1429700796.db2.gz BRAWUQLGNIEIGD-HEHGZKQESA-N 0 1 387.505 3.386 20 0 GGADMN Cc1ccc([C@H](CN[C@H](c2cnn(C)c2)c2cccc(F)c2)N2CCOCC2)o1 ZINC000180025812 1429700906 /nfs/dbraw/zinc/70/09/06/1429700906.db2.gz FMFNOGJYHODLRZ-UNMCSNQZSA-N 0 1 398.482 3.213 20 0 GGADMN COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000157982165 1424134051 /nfs/dbraw/zinc/13/40/51/1424134051.db2.gz SAMFSAPSPZWJCN-UHFFFAOYSA-N 0 1 382.869 3.295 20 0 GGADMN COc1ccccc1[C@@H]1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000157994399 1424136685 /nfs/dbraw/zinc/13/66/85/1424136685.db2.gz DMRBWINVPUGWIL-MRXNPFEDSA-N 0 1 390.430 3.402 20 0 GGADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000158007748 1424138684 /nfs/dbraw/zinc/13/86/84/1424138684.db2.gz YMDKKAKBKOGJGP-BZSNNMDCSA-N 0 1 398.551 3.054 20 0 GGADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000158007883 1424138944 /nfs/dbraw/zinc/13/89/44/1424138944.db2.gz YMDKKAKBKOGJGP-RCCFBDPRSA-N 0 1 398.551 3.054 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC000158026836 1424142796 /nfs/dbraw/zinc/14/27/96/1424142796.db2.gz QSTNAPVOZGCLKC-CEXWTWQISA-N 0 1 385.895 3.325 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1COc2ccccc21 ZINC000158028644 1424142945 /nfs/dbraw/zinc/14/29/45/1424142945.db2.gz UASXFBYFGDWZAQ-SJLPKXTDSA-N 0 1 386.879 3.302 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCc2ccc(Cl)nc2)N2CCCC2)o1 ZINC000158037214 1424144791 /nfs/dbraw/zinc/14/47/91/1424144791.db2.gz YBQJAIOIMCXIFZ-MRXNPFEDSA-N 0 1 376.888 3.315 20 0 GGADMN Cc1ccc(C(=O)NC2CCN([C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)s1 ZINC000158046185 1424147467 /nfs/dbraw/zinc/14/74/67/1424147467.db2.gz HGHNHLTYNJZZLU-UXLLHSPISA-N 0 1 391.581 3.429 20 0 GGADMN COc1cccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000158065862 1424155140 /nfs/dbraw/zinc/15/51/40/1424155140.db2.gz LHGQDIKLDOTGTG-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN COc1cccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000158065862 1424155152 /nfs/dbraw/zinc/15/51/52/1424155152.db2.gz LHGQDIKLDOTGTG-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN COc1cccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000158065862 1424155164 /nfs/dbraw/zinc/15/51/64/1424155164.db2.gz LHGQDIKLDOTGTG-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@@H]2CCOC2)nnn1-c1cccc(Cl)c1 ZINC000158077331 1424159109 /nfs/dbraw/zinc/15/91/09/1424159109.db2.gz APYUKWCVKWBKBQ-HOCLYGCPSA-N 0 1 378.904 3.323 20 0 GGADMN C[NH+](C)CCCCCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736758265 1429708045 /nfs/dbraw/zinc/70/80/45/1429708045.db2.gz DOADZNDFIFYZNJ-UHFFFAOYSA-N 0 1 395.964 3.319 20 0 GGADMN O=C(CCOCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158086617 1424163058 /nfs/dbraw/zinc/16/30/58/1424163058.db2.gz ZXLDGEAFVIVRNO-AWEZNQCLSA-N 0 1 394.821 3.095 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000180039303 1429708359 /nfs/dbraw/zinc/70/83/59/1429708359.db2.gz KZQGKRJHZALBDI-OBXNSHGQSA-N 0 1 387.568 3.111 20 0 GGADMN C[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820667804 1424164612 /nfs/dbraw/zinc/16/46/12/1424164612.db2.gz OABPEOFTERHJJQ-UKRRQHHQSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820667804 1424164615 /nfs/dbraw/zinc/16/46/15/1424164615.db2.gz OABPEOFTERHJJQ-UKRRQHHQSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820667804 1424164620 /nfs/dbraw/zinc/16/46/20/1424164620.db2.gz OABPEOFTERHJJQ-UKRRQHHQSA-N 0 1 383.887 3.380 20 0 GGADMN CCOC(=O)C1CCN(Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000158100940 1424167616 /nfs/dbraw/zinc/16/76/16/1424167616.db2.gz GQJHPGJROHUSJB-UHFFFAOYSA-N 0 1 384.476 3.444 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)NCCCc2cn[nH]c2C)n(-c2ccccc2)n1 ZINC000158113795 1424169829 /nfs/dbraw/zinc/16/98/29/1424169829.db2.gz DAOGJJHCLUQUTQ-HNNXBMFYSA-N 0 1 380.496 3.075 20 0 GGADMN COC[C@@](C)(CC(=O)OC)NCc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000158126623 1424173905 /nfs/dbraw/zinc/17/39/05/1424173905.db2.gz HQJLPERNRMLTJD-LJQANCHMSA-N 0 1 377.872 3.163 20 0 GGADMN COc1cc2c(cc1CNC(=O)NC[C@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 ZINC000158128614 1424174035 /nfs/dbraw/zinc/17/40/35/1424174035.db2.gz NKZBOCRPWIJMSH-MAUKXSAKSA-N 0 1 399.491 3.248 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N3CCc4sccc4C3)ccc2NC1=O ZINC000180029702 1429703418 /nfs/dbraw/zinc/70/34/18/1429703418.db2.gz DBFKVECFYBHART-SUMWQHHRSA-N 0 1 399.516 3.093 20 0 GGADMN COc1ccc(C(=O)C2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC2)cc1 ZINC000158158123 1424182088 /nfs/dbraw/zinc/18/20/88/1424182088.db2.gz ZDOZXCCIUORTOR-UHFFFAOYSA-N 0 1 390.443 3.215 20 0 GGADMN Clc1cccc(N2CCCC2)c1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180031783 1429704309 /nfs/dbraw/zinc/70/43/09/1429704309.db2.gz RMFUBHJSJJZZAL-SFHVURJKSA-N 0 1 377.960 3.484 20 0 GGADMN CCOc1ccccc1N1CCN(Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000158174851 1424186615 /nfs/dbraw/zinc/18/66/15/1424186615.db2.gz WYITUFKUSONEKP-UHFFFAOYSA-N 0 1 377.492 3.297 20 0 GGADMN CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000158186730 1424189062 /nfs/dbraw/zinc/18/90/62/1424189062.db2.gz SFYAAWOTEMHLHN-QFBILLFUSA-N 0 1 379.932 3.107 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000158192610 1424190799 /nfs/dbraw/zinc/19/07/99/1424190799.db2.gz SBINQVQOXPCYPA-GOSISDBHSA-N 0 1 388.443 3.217 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(C3CC3)C3CCCC3)ccc2NC1=O ZINC000180033047 1429704948 /nfs/dbraw/zinc/70/49/48/1429704948.db2.gz DCQCBSAMIKEFEO-KUHUBIRLSA-N 0 1 385.508 3.380 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N(C3CC3)C3CCCC3)ccc2NC1=O ZINC000180033032 1429704964 /nfs/dbraw/zinc/70/49/64/1429704964.db2.gz DCQCBSAMIKEFEO-AUUYWEPGSA-N 0 1 385.508 3.380 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N(C3CC3)C3CCCC3)ccc2NC1=O ZINC000180033064 1429704986 /nfs/dbraw/zinc/70/49/86/1429704986.db2.gz DCQCBSAMIKEFEO-IFXJQAMLSA-N 0 1 385.508 3.380 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000158197086 1424192252 /nfs/dbraw/zinc/19/22/52/1424192252.db2.gz FRNRSAHUOVFMCQ-UHFFFAOYSA-N 0 1 378.476 3.498 20 0 GGADMN CC(C)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000158213275 1424197053 /nfs/dbraw/zinc/19/70/53/1424197053.db2.gz JJWKFYMBQMFIIJ-GOSISDBHSA-N 0 1 375.513 3.195 20 0 GGADMN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000158217748 1424197650 /nfs/dbraw/zinc/19/76/50/1424197650.db2.gz VROAFHZZADXPON-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000158223761 1424200707 /nfs/dbraw/zinc/20/07/07/1424200707.db2.gz QVBSQOMFNMOXAX-CYBMUJFWSA-N 0 1 377.510 3.239 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@H]2CCOC2)nnn1-c1ccc(Cl)cc1 ZINC000158232997 1424201984 /nfs/dbraw/zinc/20/19/84/1424201984.db2.gz XIWWUMKCNZKHSH-GOEBONIOSA-N 0 1 378.904 3.323 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000158235994 1424203643 /nfs/dbraw/zinc/20/36/43/1424203643.db2.gz RDHPJYQCFMEVER-KRWDZBQOSA-N 0 1 381.524 3.172 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(Cl)cn3)ccc2NC1=O ZINC000180033999 1429705884 /nfs/dbraw/zinc/70/58/84/1429705884.db2.gz GWCGMINVRLSVBG-IAQYHMDHSA-N 0 1 388.855 3.134 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)c1 ZINC000158243211 1424205554 /nfs/dbraw/zinc/20/55/54/1424205554.db2.gz SFGMKLUNDQYWHX-UHFFFAOYSA-N 0 1 383.473 3.107 20 0 GGADMN CCOc1c(Cl)cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1OC ZINC000158249270 1424207793 /nfs/dbraw/zinc/20/77/93/1424207793.db2.gz MOKMCMVZLHEEPW-CYBMUJFWSA-N 0 1 394.821 3.390 20 0 GGADMN C[C@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)CCN1Cc1ccccc1 ZINC000158252055 1424208963 /nfs/dbraw/zinc/20/89/63/1424208963.db2.gz OUVLLAGXTWUHAC-SFHVURJKSA-N 0 1 375.476 3.004 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C[C@H](O)c3ccc(F)cc3F)C2)C1 ZINC000158261124 1424211687 /nfs/dbraw/zinc/21/16/87/1424211687.db2.gz ZPSRCMDNXLEJPB-FXAWDEMLSA-N 0 1 382.451 3.331 20 0 GGADMN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158270287 1424214000 /nfs/dbraw/zinc/21/40/00/1424214000.db2.gz NFBVTIRKUAKSSR-GOSISDBHSA-N 0 1 375.538 3.298 20 0 GGADMN CCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000158270434 1424214116 /nfs/dbraw/zinc/21/41/16/1424214116.db2.gz NFBVTIRKUAKSSR-SFHVURJKSA-N 0 1 375.538 3.298 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3ccc(=O)n(-c4ccccc4)n3)c2C1 ZINC000158293011 1424218923 /nfs/dbraw/zinc/21/89/23/1424218923.db2.gz OADOWKWLMYVRLI-UHFFFAOYSA-N 0 1 388.471 3.456 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000158299461 1424220427 /nfs/dbraw/zinc/22/04/27/1424220427.db2.gz GAUMDVZFJHGWAB-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-c3nnc[nH]3)c2)cc1OC ZINC000158299267 1424220503 /nfs/dbraw/zinc/22/05/03/1424220503.db2.gz FLBXFHSGSSWADT-KRWDZBQOSA-N 0 1 378.432 3.466 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)c2cccc(-c3nnc[nH]3)c2)cc1OC ZINC000158299397 1424220531 /nfs/dbraw/zinc/22/05/31/1424220531.db2.gz FLBXFHSGSSWADT-QGZVFWFLSA-N 0 1 378.432 3.466 20 0 GGADMN COc1ccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000158302851 1424221268 /nfs/dbraw/zinc/22/12/68/1424221268.db2.gz DIKANHQWPMEKEF-GOSISDBHSA-N 0 1 395.503 3.065 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cccc(F)c1F ZINC000158306941 1424222585 /nfs/dbraw/zinc/22/25/85/1424222585.db2.gz MRVZSTGITSNEKA-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCCc3c2cnn3C)N2CCCC2)o1 ZINC000158314680 1424224046 /nfs/dbraw/zinc/22/40/46/1424224046.db2.gz OCAKKKMBILCYGI-PKOBYXMFSA-N 0 1 385.512 3.177 20 0 GGADMN COC(=O)c1ccc([C@H](C)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)o1 ZINC000158334924 1424229325 /nfs/dbraw/zinc/22/93/25/1424229325.db2.gz PNBAMJPOCAXVAE-XOBRGWDASA-N 0 1 378.469 3.460 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)c2)CC1 ZINC000158368626 1424238245 /nfs/dbraw/zinc/23/82/45/1424238245.db2.gz JPCUOMFZPISMGR-DHIUTWEWSA-N 0 1 393.531 3.084 20 0 GGADMN CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000824348029 1424238829 /nfs/dbraw/zinc/23/88/29/1424238829.db2.gz XGQIWKHKDHSRBR-PMACEKPBSA-N 0 1 390.491 3.184 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000822744425 1429710500 /nfs/dbraw/zinc/71/05/00/1429710500.db2.gz SUHPBUHYNPOIDB-UHFFFAOYSA-N 0 1 396.470 3.483 20 0 GGADMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158416582 1424248902 /nfs/dbraw/zinc/24/89/02/1424248902.db2.gz YQSFSXQQMPLSSN-UTKZUKDTSA-N 0 1 379.545 3.132 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@H](CCO)c3ccccc3)n2)cc1 ZINC000158416944 1424249007 /nfs/dbraw/zinc/24/90/07/1424249007.db2.gz YNWNOFWWMFXNDB-GOSISDBHSA-N 0 1 396.516 3.454 20 0 GGADMN CCC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nnc2ccccn21 ZINC000158434694 1424253666 /nfs/dbraw/zinc/25/36/66/1424253666.db2.gz ROFZXCYDLKYYFI-IRXDYDNUSA-N 0 1 396.495 3.300 20 0 GGADMN CCC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nnc2ccccn21 ZINC000158434996 1424253759 /nfs/dbraw/zinc/25/37/59/1424253759.db2.gz ROFZXCYDLKYYFI-DLBZAZTESA-N 0 1 396.495 3.300 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](COC)C2CC2)CC1 ZINC000158434736 1424253840 /nfs/dbraw/zinc/25/38/40/1424253840.db2.gz PVANYYTWXZRMAR-QGZVFWFLSA-N 0 1 380.920 3.028 20 0 GGADMN CNC(=O)C(C)(C)CN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000158436942 1424254361 /nfs/dbraw/zinc/25/43/61/1424254361.db2.gz BXZFTVBUVKWWMD-IBGZPJMESA-N 0 1 383.492 3.045 20 0 GGADMN CN(Cc1cccn1C)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000158445840 1424256374 /nfs/dbraw/zinc/25/63/74/1424256374.db2.gz LQWOMMYHALWMBC-UHFFFAOYSA-N 0 1 398.532 3.243 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3occc3-c3ccc(F)cc3)ccn2)CC1 ZINC000158483241 1424269306 /nfs/dbraw/zinc/26/93/06/1424269306.db2.gz PXHHQRVBZFGXTP-UHFFFAOYSA-N 0 1 394.450 3.163 20 0 GGADMN CCOC(=O)N[C@@H](CN[C@H](c1cnn(C)c1)c1cccc(F)c1)CC(C)C ZINC000180048249 1429712887 /nfs/dbraw/zinc/71/28/87/1429712887.db2.gz NVHCAPBNZDZLOR-MOPGFXCFSA-N 0 1 376.476 3.399 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180048443 1429713071 /nfs/dbraw/zinc/71/30/71/1429713071.db2.gz JLDVDJXGSMZZCR-IUODEOHRSA-N 0 1 377.847 3.456 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000824938598 1429713278 /nfs/dbraw/zinc/71/32/78/1429713278.db2.gz VSQICDMAEVZKDN-IRXDYDNUSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824938598 1429713281 /nfs/dbraw/zinc/71/32/81/1429713281.db2.gz VSQICDMAEVZKDN-IRXDYDNUSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824938598 1429713285 /nfs/dbraw/zinc/71/32/85/1429713285.db2.gz VSQICDMAEVZKDN-IRXDYDNUSA-N 0 1 395.555 3.231 20 0 GGADMN Cc1ncc(C(=O)OC[C@H]2CCCN(Cc3cc(F)ccc3F)C2)c(C)n1 ZINC000180049191 1429713779 /nfs/dbraw/zinc/71/37/79/1429713779.db2.gz OOXFMDSGCRDJIV-HNNXBMFYSA-N 0 1 375.419 3.441 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H](CCO)CC(C)C)n2)cc1 ZINC000158540837 1424284809 /nfs/dbraw/zinc/28/48/09/1424284809.db2.gz WZWMLTYIEHSYTB-HNNXBMFYSA-N 0 1 376.526 3.033 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccccc3SC(F)F)cc12 ZINC000158561605 1424289891 /nfs/dbraw/zinc/28/98/91/1424289891.db2.gz BJEDSGLSLGSHHY-UHFFFAOYSA-N 0 1 384.433 3.392 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(F)c(F)cc1Cl ZINC000158572991 1424292657 /nfs/dbraw/zinc/29/26/57/1424292657.db2.gz URNQCKGRYJMDRV-AUUYWEPGSA-N 0 1 394.849 3.231 20 0 GGADMN Cc1ccc(N2CC[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000158587603 1424296384 /nfs/dbraw/zinc/29/63/84/1424296384.db2.gz TYNSIOFGRUKIRN-OAQYLSRUSA-N 0 1 377.488 3.451 20 0 GGADMN CC(C)Oc1cccc(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000158589017 1424296458 /nfs/dbraw/zinc/29/64/58/1424296458.db2.gz QSFGUPXTNXUSPY-GGAORHGYSA-N 0 1 396.531 3.016 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)[C@@H](CCO)c3ccccc3)n[nH]2)cc1OC ZINC000158589343 1424296760 /nfs/dbraw/zinc/29/67/60/1424296760.db2.gz HEKADNLZOXXOEG-IBGZPJMESA-N 0 1 395.459 3.290 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(F)cc1F ZINC000158591163 1424297557 /nfs/dbraw/zinc/29/75/57/1424297557.db2.gz CBGHXNHYIBVORY-SJORKVTESA-N 0 1 395.475 3.013 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4oc(C5CC5)nc4c3)cc12 ZINC000158604389 1424300451 /nfs/dbraw/zinc/30/04/51/1424300451.db2.gz AUMDUNMPCSPMKE-UHFFFAOYSA-N 0 1 383.433 3.096 20 0 GGADMN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1nc2ccccc2n1C ZINC000180053744 1429715920 /nfs/dbraw/zinc/71/59/20/1429715920.db2.gz CECWHJVIESCHNL-GOSISDBHSA-N 0 1 394.519 3.135 20 0 GGADMN CSc1ccc(C)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000158627240 1424305016 /nfs/dbraw/zinc/30/50/16/1424305016.db2.gz VWZPRUNJKMVREY-NQIIRXRSSA-N 0 1 384.545 3.330 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000158650241 1424310529 /nfs/dbraw/zinc/31/05/29/1424310529.db2.gz QJDGZHZKOPFHPZ-FQEVSTJZSA-N 0 1 393.487 3.157 20 0 GGADMN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158654385 1424311480 /nfs/dbraw/zinc/31/14/80/1424311480.db2.gz VYXZKAZSEHPGFS-OXQOHEQNSA-N 0 1 390.886 3.021 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(Cl)c(F)c1 ZINC000158657957 1424312480 /nfs/dbraw/zinc/31/24/80/1424312480.db2.gz GNTDDRLWICYUSZ-VQIMIIECSA-N 0 1 376.859 3.092 20 0 GGADMN CC[C@H]1CCCCN1C(=O)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158667859 1424314466 /nfs/dbraw/zinc/31/44/66/1424314466.db2.gz SNCANWCXYHNIOE-UWJYYQICSA-N 0 1 379.545 3.110 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN2CCCCC[C@@H]2c2ccc(C)o2)CC1 ZINC000158668211 1424314768 /nfs/dbraw/zinc/31/47/68/1424314768.db2.gz QMYAAQLAMFVHLT-GOSISDBHSA-N 0 1 376.497 3.307 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2)C[C@H](C)O1 ZINC000158706043 1424323616 /nfs/dbraw/zinc/32/36/16/1424323616.db2.gz VPVAJNYSEQQHHH-STQMWFEESA-N 0 1 382.432 3.379 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)N2CCCC2)o1 ZINC000158720460 1424326796 /nfs/dbraw/zinc/32/67/96/1424326796.db2.gz JGZIHUHJLOLGFS-AWEZNQCLSA-N 0 1 389.406 3.135 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc2cccc(F)c2o1 ZINC000158728950 1424328257 /nfs/dbraw/zinc/32/82/57/1424328257.db2.gz OESDNRQNKNMLDD-IEBWSBKVSA-N 0 1 382.435 3.185 20 0 GGADMN C[C@@H](C(=O)N1CCCCCC1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158745888 1424332854 /nfs/dbraw/zinc/33/28/54/1424332854.db2.gz HXWYONLIBIDZIV-UWJYYQICSA-N 0 1 379.545 3.110 20 0 GGADMN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000158760841 1424336186 /nfs/dbraw/zinc/33/61/86/1424336186.db2.gz GSJZWPYQUVFQNY-HNNXBMFYSA-N 0 1 379.420 3.116 20 0 GGADMN O[C@@H](C[N@H+]1CC[C@@H](CSc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823674535 1429718561 /nfs/dbraw/zinc/71/85/61/1429718561.db2.gz RFWQSLIFSNBMGE-BEFAXECRSA-N 0 1 381.505 3.014 20 0 GGADMN O[C@@H](C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823674535 1429718564 /nfs/dbraw/zinc/71/85/64/1429718564.db2.gz RFWQSLIFSNBMGE-BEFAXECRSA-N 0 1 381.505 3.014 20 0 GGADMN O[C@@H](C[N@H+]1CC[C@@H](CSc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823674535 1429718570 /nfs/dbraw/zinc/71/85/70/1429718570.db2.gz RFWQSLIFSNBMGE-BEFAXECRSA-N 0 1 381.505 3.014 20 0 GGADMN CC(C)CC(=O)NCCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000158797772 1424344577 /nfs/dbraw/zinc/34/45/77/1424344577.db2.gz IIQNECBFESMAAE-UHFFFAOYSA-N 0 1 381.520 3.036 20 0 GGADMN Cn1cc(N2CCC[C@@H](N3CCC(c4c[nH]c5ccccc54)CC3)C2=O)cn1 ZINC000158803226 1424346334 /nfs/dbraw/zinc/34/63/34/1424346334.db2.gz GWBFALBUAXUUOC-OAQYLSRUSA-N 0 1 377.492 3.276 20 0 GGADMN O=C(NCCc1nnc(-c2ccccc2)o1)NC[C@H](c1ccco1)N1CCCC1 ZINC000158824785 1424351171 /nfs/dbraw/zinc/35/11/71/1424351171.db2.gz AOSGNWBYDIXRLB-QGZVFWFLSA-N 0 1 395.463 3.008 20 0 GGADMN CCOCCCN1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000158826096 1424351499 /nfs/dbraw/zinc/35/14/99/1424351499.db2.gz SWHIQMNIHDLRDH-UHFFFAOYSA-N 0 1 375.538 3.363 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cc(NC(=O)CC)ccc2C)CCN1CCOC ZINC000158836743 1424354447 /nfs/dbraw/zinc/35/44/47/1424354447.db2.gz NUIPQBNJVJKGIF-SFHVURJKSA-N 0 1 390.528 3.308 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cccc(C3OCCO3)c2)N2CCCC2)cc1 ZINC000158846182 1424355812 /nfs/dbraw/zinc/35/58/12/1424355812.db2.gz SWEVZQWGEUIYOH-NRFANRHFSA-N 0 1 396.487 3.308 20 0 GGADMN CCC[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1nnc2ccccn21 ZINC000158863853 1424359242 /nfs/dbraw/zinc/35/92/42/1424359242.db2.gz ODCBDLMJPVWHLC-ROUUACIJSA-N 0 1 398.486 3.312 20 0 GGADMN CC(C)[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nc(C2CC2)no1 ZINC000158861926 1424359515 /nfs/dbraw/zinc/35/95/15/1424359515.db2.gz RBLIRUFYZKYITE-LLVKDONJSA-N 0 1 391.280 3.324 20 0 GGADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000158893605 1424365554 /nfs/dbraw/zinc/36/55/54/1424365554.db2.gz QGXDNJHOOZJFTF-UHFFFAOYSA-N 0 1 381.411 3.100 20 0 GGADMN CCCC(=O)Nc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000158898364 1424366826 /nfs/dbraw/zinc/36/68/26/1424366826.db2.gz OTQGONLSXPCBTH-HNNXBMFYSA-N 0 1 389.521 3.184 20 0 GGADMN Cc1cccc(N2CCN(Cc3ccccc3OCC(=O)N(C)C)CC2)c1C ZINC000158915866 1424371531 /nfs/dbraw/zinc/37/15/31/1424371531.db2.gz HEFPGCGGVUWXPD-UHFFFAOYSA-N 0 1 381.520 3.093 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(C(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)c1C ZINC000158914938 1424371611 /nfs/dbraw/zinc/37/16/11/1424371611.db2.gz XBGXSRSZHXNZHP-GJZGRUSLSA-N 0 1 394.581 3.193 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000824613008 1424375988 /nfs/dbraw/zinc/37/59/88/1424375988.db2.gz QWKHTUKLWHHCBS-LBPRGKRZSA-N 0 1 380.427 3.205 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)N(C)C ZINC000158941570 1424378253 /nfs/dbraw/zinc/37/82/53/1424378253.db2.gz DDJAQTHFJXRFMK-FQEVSTJZSA-N 0 1 379.504 3.487 20 0 GGADMN CN(C)C(=O)Nc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000158946147 1424378636 /nfs/dbraw/zinc/37/86/36/1424378636.db2.gz AXPMJRJHALURKF-KRWDZBQOSA-N 0 1 386.521 3.409 20 0 GGADMN CC[C@@H](C(=O)N1CCC(NC(=O)c2[nH]nc3c2CCCC3)CC1)c1ccccc1 ZINC000158954723 1424381154 /nfs/dbraw/zinc/38/11/54/1424381154.db2.gz CVAQXBKDQZAGSU-GOSISDBHSA-N 0 1 394.519 3.203 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OCCOC)cc2)cc1 ZINC000158959668 1424382154 /nfs/dbraw/zinc/38/21/54/1424382154.db2.gz IKMISADQDCKNIA-INIZCTEOSA-N 0 1 377.506 3.356 20 0 GGADMN Fc1ccc(N2CC[C@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)C2)cc1Cl ZINC000826375488 1424389813 /nfs/dbraw/zinc/38/98/13/1424389813.db2.gz PLMGZLYGOIUXQG-NSHDSACASA-N 0 1 378.864 3.089 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(OCCOC)c2)cc1 ZINC000159019230 1424396974 /nfs/dbraw/zinc/39/69/74/1424396974.db2.gz CDYZNNVUCIVBHC-MRXNPFEDSA-N 0 1 377.506 3.356 20 0 GGADMN CN(C)[C@H](CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1cccs1 ZINC000159044437 1424403893 /nfs/dbraw/zinc/40/38/93/1424403893.db2.gz WLHODIXTNNATMZ-DAWZGUTISA-N 0 1 391.581 3.332 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000159059041 1424406851 /nfs/dbraw/zinc/40/68/51/1424406851.db2.gz KKQJHKFPOBWEDG-TZIWHRDSSA-N 0 1 399.560 3.323 20 0 GGADMN CCCNC(=O)Nc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000159056584 1424406924 /nfs/dbraw/zinc/40/69/24/1424406924.db2.gz ZXXRLQQAJFOEBA-IBGZPJMESA-N 0 1 398.507 3.307 20 0 GGADMN CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000159056739 1424407096 /nfs/dbraw/zinc/40/70/96/1424407096.db2.gz ZXXRLQQAJFOEBA-LJQANCHMSA-N 0 1 398.507 3.307 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000159072608 1424410394 /nfs/dbraw/zinc/41/03/94/1424410394.db2.gz CNZYETXBZVOMIF-OAQYLSRUSA-N 0 1 399.510 3.473 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2c(Cl)n(C)nc2C(C)C)N(C)C)c1 ZINC000159075609 1424411362 /nfs/dbraw/zinc/41/13/62/1424411362.db2.gz HPHTUXLZSHEBBI-HNNXBMFYSA-N 0 1 378.904 3.238 20 0 GGADMN CCS(=O)(=O)c1cccc(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC000159085396 1424413937 /nfs/dbraw/zinc/41/39/37/1424413937.db2.gz WOCCNIQLLSJSDH-IBGZPJMESA-N 0 1 398.528 3.034 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000826202049 1424416719 /nfs/dbraw/zinc/41/67/19/1424416719.db2.gz MSBSOIQNHLERJL-ZDUSSCGKSA-N 0 1 376.420 3.381 20 0 GGADMN Cc1csc(N2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000159100192 1424417521 /nfs/dbraw/zinc/41/75/21/1424417521.db2.gz CJAKLPVFLJMKHB-MRXNPFEDSA-N 0 1 385.455 3.196 20 0 GGADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(N2CCCC2=O)c1 ZINC000159125075 1424422491 /nfs/dbraw/zinc/42/24/91/1424422491.db2.gz JBXDSECZTNXBIO-UWJYYQICSA-N 0 1 379.504 3.164 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826183523 1424423159 /nfs/dbraw/zinc/42/31/59/1424423159.db2.gz RPYROKSKMLLYDP-ZWKOTPCHSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826183523 1424423161 /nfs/dbraw/zinc/42/31/61/1424423161.db2.gz RPYROKSKMLLYDP-ZWKOTPCHSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826183523 1424423163 /nfs/dbraw/zinc/42/31/63/1424423163.db2.gz RPYROKSKMLLYDP-ZWKOTPCHSA-N 0 1 397.479 3.337 20 0 GGADMN CCC[C@@H](NC(=O)[C@@H](C)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000159130942 1424424148 /nfs/dbraw/zinc/42/41/48/1424424148.db2.gz QHYHTGNYHKBNFI-UIFIKXQLSA-N 0 1 398.551 3.212 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000159135669 1424424917 /nfs/dbraw/zinc/42/49/17/1424424917.db2.gz MGQNMTKHMVNEOK-QGZVFWFLSA-N 0 1 384.549 3.341 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@@H](c2cccs2)N(C)C)n1 ZINC000159162906 1424431906 /nfs/dbraw/zinc/43/19/06/1424431906.db2.gz YCZHWFJGTXKYSK-KRWDZBQOSA-N 0 1 384.509 3.370 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139853782 1424438130 /nfs/dbraw/zinc/43/81/30/1424438130.db2.gz LROSYHRFVWSIJK-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139853782 1424438135 /nfs/dbraw/zinc/43/81/35/1424438135.db2.gz LROSYHRFVWSIJK-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001139853782 1424438136 /nfs/dbraw/zinc/43/81/36/1424438136.db2.gz LROSYHRFVWSIJK-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN Cc1c(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)sc2cccc(F)c12 ZINC000159186427 1424438633 /nfs/dbraw/zinc/43/86/33/1424438633.db2.gz QDGFIEUZHBOHRE-QGZVFWFLSA-N 0 1 398.503 3.498 20 0 GGADMN COc1cccc(OC)c1OC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000159195661 1424440106 /nfs/dbraw/zinc/44/01/06/1424440106.db2.gz MXJVPSOHDBRAOA-UHFFFAOYSA-N 0 1 381.432 3.264 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000822233658 1424445214 /nfs/dbraw/zinc/44/52/14/1424445214.db2.gz SMIWXEYEDKBLEW-KRWDZBQOSA-N 0 1 394.479 3.469 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000822233658 1424445217 /nfs/dbraw/zinc/44/52/17/1424445217.db2.gz SMIWXEYEDKBLEW-KRWDZBQOSA-N 0 1 394.479 3.469 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cc1OC ZINC000159225138 1424450569 /nfs/dbraw/zinc/45/05/69/1424450569.db2.gz YNDWHXTYKFZHQR-ZDUSSCGKSA-N 0 1 378.419 3.339 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(CC)n2)c1 ZINC000159225471 1424450874 /nfs/dbraw/zinc/45/08/74/1424450874.db2.gz MFFQOQXNBYYTPI-UHFFFAOYSA-N 0 1 384.461 3.428 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1OC ZINC000159226301 1424451478 /nfs/dbraw/zinc/45/14/78/1424451478.db2.gz GFHGOHSJBWIOCZ-ZDUSSCGKSA-N 0 1 377.872 3.109 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)cc(OC)c1OC ZINC000159246081 1424457604 /nfs/dbraw/zinc/45/76/04/1424457604.db2.gz JBCJBHNCACRZPG-HOTGVXAUSA-N 0 1 386.492 3.110 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)C(=O)NCCc2ccccc2)cc(OC)c1OC ZINC000159246215 1424457866 /nfs/dbraw/zinc/45/78/66/1424457866.db2.gz JBCJBHNCACRZPG-CVEARBPZSA-N 0 1 386.492 3.110 20 0 GGADMN CC[C@](C)(CCO)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820852695 1424463078 /nfs/dbraw/zinc/46/30/78/1424463078.db2.gz FHXMHLPBGULGDK-OAQYLSRUSA-N 0 1 381.480 3.086 20 0 GGADMN Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000826295458 1424465718 /nfs/dbraw/zinc/46/57/18/1424465718.db2.gz IJYOKBUVCMYJLY-GFCCVEGCSA-N 0 1 393.476 3.074 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824604693 1424466026 /nfs/dbraw/zinc/46/60/26/1424466026.db2.gz CZJPEGDPBKXLQB-LBPRGKRZSA-N 0 1 395.467 3.418 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccc(C)cc1 ZINC000180081422 1429728466 /nfs/dbraw/zinc/72/84/66/1429728466.db2.gz FUVJHLPJUATQSO-HDICACEKSA-N 0 1 385.512 3.110 20 0 GGADMN COc1cccc(CCCN2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000159279358 1424470937 /nfs/dbraw/zinc/47/09/37/1424470937.db2.gz UVHXJGNVZCJIBH-SFHVURJKSA-N 0 1 399.510 3.412 20 0 GGADMN COc1cccc(CCCN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000159279511 1424470973 /nfs/dbraw/zinc/47/09/73/1424470973.db2.gz UVHXJGNVZCJIBH-GOSISDBHSA-N 0 1 399.510 3.412 20 0 GGADMN Cc1nn(Cc2ccccc2)c2sc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc12 ZINC000159290292 1424474315 /nfs/dbraw/zinc/47/43/15/1424474315.db2.gz XGOXEPXGZKGYMQ-CALCHBBNSA-N 0 1 380.517 3.421 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000159292374 1424475123 /nfs/dbraw/zinc/47/51/23/1424475123.db2.gz YWBNTSLKCZZXMD-APWZRJJASA-N 0 1 397.485 3.122 20 0 GGADMN O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cccc(-c2nnc[nH]2)c1 ZINC000159297685 1424476819 /nfs/dbraw/zinc/47/68/19/1424476819.db2.gz XPIYZMVZJYZARO-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCCc3ccccc3)ccc2NC1=O ZINC000159300657 1424477712 /nfs/dbraw/zinc/47/77/12/1424477712.db2.gz MWZUCZDCLBLNSQ-FTRWYGJKSA-N 0 1 395.503 3.194 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2CCN(CCOC)[C@@H](CCC)C2)c1 ZINC000159298709 1424478015 /nfs/dbraw/zinc/47/80/15/1424478015.db2.gz PXJWTDRNMKSZTC-IBGZPJMESA-N 0 1 390.528 3.390 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNc3ccc(S(C)(=O)=O)cc3)cc2)C[C@@H](C)O1 ZINC000159312956 1424481134 /nfs/dbraw/zinc/48/11/34/1424481134.db2.gz TXTLACDYSRUBAP-IAGOWNOFSA-N 0 1 388.533 3.311 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000159323168 1424484772 /nfs/dbraw/zinc/48/47/72/1424484772.db2.gz GJTWXQPVUWIUHS-RTBURBONSA-N 0 1 380.423 3.339 20 0 GGADMN C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000159324615 1424485940 /nfs/dbraw/zinc/48/59/40/1424485940.db2.gz XDWPKKUNEJVAHU-ZDUSSCGKSA-N 0 1 375.432 3.311 20 0 GGADMN O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@H]1CCCN1Cc1ccccc1 ZINC000159340428 1424489980 /nfs/dbraw/zinc/48/99/80/1424489980.db2.gz UPPCEQOQAHUINY-MRXNPFEDSA-N 0 1 379.382 3.014 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2nocc2C)CC1 ZINC000159346946 1424491669 /nfs/dbraw/zinc/49/16/69/1424491669.db2.gz ULEPJIHLCFRNLT-CQSZACIVSA-N 0 1 375.448 3.147 20 0 GGADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)[nH]c21 ZINC000159347421 1424492271 /nfs/dbraw/zinc/49/22/71/1424492271.db2.gz WIWXEEPVDRQLIZ-UHFFFAOYSA-N 0 1 380.448 3.304 20 0 GGADMN COCc1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc23)ccc1F ZINC000821695255 1424520554 /nfs/dbraw/zinc/52/05/54/1424520554.db2.gz POMWVBZRSGZZOF-UHFFFAOYSA-N 0 1 378.411 3.043 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159856949 1424544415 /nfs/dbraw/zinc/54/44/15/1424544415.db2.gz GRGXYKUTUVOICO-XLIONFOSSA-N 0 1 385.533 3.100 20 0 GGADMN C[C@@H](NC1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)sc1Cl ZINC000159937542 1424554785 /nfs/dbraw/zinc/55/47/85/1424554785.db2.gz ZNVNDLZJJOHODW-SNVBAGLBSA-N 0 1 385.382 3.215 20 0 GGADMN O=C(N[C@@H]1CN2CCC1CC2)c1cc(Br)ccc1Br ZINC000160028779 1424564646 /nfs/dbraw/zinc/56/46/46/1424564646.db2.gz ZRSUHSBOBXZZPM-CYBMUJFWSA-N 0 1 388.103 3.036 20 0 GGADMN Cc1cccc(NC(=O)CN(C)c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1C ZINC000737400053 1424567567 /nfs/dbraw/zinc/56/75/67/1424567567.db2.gz PSLQYUBRJGWCBO-UHFFFAOYSA-N 0 1 387.447 3.107 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H]1CCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683056 1424575155 /nfs/dbraw/zinc/57/51/55/1424575155.db2.gz XPKLOXPJRGVQNW-SFTDATJTSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@@H](C[N@@H+]1CCC[C@@H]1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683056 1424575161 /nfs/dbraw/zinc/57/51/61/1424575161.db2.gz XPKLOXPJRGVQNW-SFTDATJTSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H]1CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683056 1424575166 /nfs/dbraw/zinc/57/51/66/1424575166.db2.gz XPKLOXPJRGVQNW-SFTDATJTSA-N 0 1 377.492 3.387 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CCC[C@@](C)(O)C3)cc2Cl)CC1 ZINC000160133907 1424577960 /nfs/dbraw/zinc/57/79/60/1424577960.db2.gz PYZRKGSVFYLKRW-HXUWFJFHSA-N 0 1 394.947 3.251 20 0 GGADMN NC(=O)C1(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)CCOCC1 ZINC000180099388 1429737381 /nfs/dbraw/zinc/73/73/81/1429737381.db2.gz WLMDZOXRRKDNLI-GOSISDBHSA-N 0 1 376.859 3.440 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000160259528 1424590769 /nfs/dbraw/zinc/59/07/69/1424590769.db2.gz UWRKEXGXSXYAHV-UHFFFAOYSA-N 0 1 379.420 3.208 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1ccnn1CC1CC1)N1CCCC1 ZINC000160268153 1424591584 /nfs/dbraw/zinc/59/15/84/1424591584.db2.gz RDWBRMANOWKFCB-GOSISDBHSA-N 0 1 383.496 3.260 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000160308772 1424594664 /nfs/dbraw/zinc/59/46/64/1424594664.db2.gz MMOAXTGLJKXZMW-UHFFFAOYSA-N 0 1 383.345 3.257 20 0 GGADMN CCc1ccc(C(C)(C)NCC(=O)NCC(=O)Nc2ccccc2CC)cc1 ZINC000180100456 1429738297 /nfs/dbraw/zinc/73/82/97/1429738297.db2.gz CGMIVNOGSICBCM-UHFFFAOYSA-N 0 1 381.520 3.391 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160342585 1424596751 /nfs/dbraw/zinc/59/67/51/1424596751.db2.gz UAZBNQSKSPPJOC-INIZCTEOSA-N 0 1 377.404 3.276 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4cnc5ccccc54)nc3)n2)o1 ZINC000160341410 1424597001 /nfs/dbraw/zinc/59/70/01/1424597001.db2.gz OCWLAGMNXYPING-UHFFFAOYSA-N 0 1 385.387 3.359 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)n2)o1 ZINC000160361342 1424598351 /nfs/dbraw/zinc/59/83/51/1424598351.db2.gz YYPLRMFZXUPRFO-UHFFFAOYSA-N 0 1 392.419 3.111 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2)o1 ZINC000160368764 1424599518 /nfs/dbraw/zinc/59/95/18/1424599518.db2.gz VWMJNBDIUSXCGV-QWHCGFSZSA-N 0 1 389.456 3.395 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)o1 ZINC000160406422 1424601978 /nfs/dbraw/zinc/60/19/78/1424601978.db2.gz SFFASUIFZBKPNI-LBPRGKRZSA-N 0 1 375.429 3.101 20 0 GGADMN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820218804 1424602502 /nfs/dbraw/zinc/60/25/02/1424602502.db2.gz APXCZSRDKPMKEQ-CQSZACIVSA-N 0 1 398.898 3.047 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)n2)o1 ZINC000160421973 1424603149 /nfs/dbraw/zinc/60/31/49/1424603149.db2.gz DVHUZZSJXVOROL-UHFFFAOYSA-N 0 1 375.429 3.149 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)cnc3Cl)n2)o1 ZINC000160440628 1424604109 /nfs/dbraw/zinc/60/41/09/1424604109.db2.gz YQZQEJWZHYOELH-UHFFFAOYSA-N 0 1 382.605 3.436 20 0 GGADMN CC(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000160452046 1424604653 /nfs/dbraw/zinc/60/46/53/1424604653.db2.gz CBXZPGJMEWGZFN-MRXNPFEDSA-N 0 1 381.480 3.150 20 0 GGADMN CC(C)c1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000160451905 1424605126 /nfs/dbraw/zinc/60/51/26/1424605126.db2.gz CBXZPGJMEWGZFN-INIZCTEOSA-N 0 1 381.480 3.150 20 0 GGADMN COC1CC[NH+](C2(CNc3ccc(Cl)cc3-c3nn[n-]n3)CCCC2)CC1 ZINC000736963114 1424607893 /nfs/dbraw/zinc/60/78/93/1424607893.db2.gz SEJNKUPZLSIJFX-UHFFFAOYSA-N 0 1 390.919 3.356 20 0 GGADMN Cn1nc(C2CCCCC2)cc1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000160569017 1424615146 /nfs/dbraw/zinc/61/51/46/1424615146.db2.gz KOYSCIMUIKTZEP-UHFFFAOYSA-N 0 1 397.504 3.105 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000180105701 1429740337 /nfs/dbraw/zinc/74/03/37/1429740337.db2.gz TULUEXCSIVUKSR-UHFFFAOYSA-N 0 1 393.248 3.318 20 0 GGADMN CNS(=O)(=O)c1cccc(CNCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000160748643 1424631403 /nfs/dbraw/zinc/63/14/03/1424631403.db2.gz MSPNVBJBGIHSRM-UHFFFAOYSA-N 0 1 376.375 3.042 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCc4c(F)cccc4C3)n[nH]2)cc1OC ZINC000160802589 1424636406 /nfs/dbraw/zinc/63/64/06/1424636406.db2.gz SKEIXRSUTIZMCI-UHFFFAOYSA-N 0 1 381.407 3.432 20 0 GGADMN CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825856576 1424636708 /nfs/dbraw/zinc/63/67/08/1424636708.db2.gz XOJZJRZYLFTGDO-FPOVZHCZSA-N 0 1 376.508 3.007 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]C3CCSCC3)c2)c1 ZINC000738411705 1424638324 /nfs/dbraw/zinc/63/83/24/1424638324.db2.gz XDUBRXTWLOWVJU-UHFFFAOYSA-N 0 1 381.505 3.431 20 0 GGADMN C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000160845150 1424638822 /nfs/dbraw/zinc/63/88/22/1424638822.db2.gz TTXOGNVGMQFJMR-HMFYCAOWSA-N 0 1 381.520 3.245 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)N2CCCC2)o1 ZINC000160884558 1424641204 /nfs/dbraw/zinc/64/12/04/1424641204.db2.gz JGUXHLNPWVYRMT-RXVVDRJESA-N 0 1 389.471 3.071 20 0 GGADMN O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)c1c(Cl)cccc1Cl ZINC000160992158 1424650786 /nfs/dbraw/zinc/65/07/86/1424650786.db2.gz AHMIBUALQCONGV-UHFFFAOYSA-N 0 1 397.218 3.088 20 0 GGADMN Fc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000826376691 1424651308 /nfs/dbraw/zinc/65/13/08/1424651308.db2.gz NWNXCKVSSMVTER-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824598233 1424652694 /nfs/dbraw/zinc/65/26/94/1424652694.db2.gz CKUGZHFMJGWVQN-JTQLQIEISA-N 0 1 379.251 3.298 20 0 GGADMN C[C@H](CC(=O)Nc1cccnc1Cl)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161098904 1424658862 /nfs/dbraw/zinc/65/88/62/1424658862.db2.gz UJCZHEAFOMFBNE-LLVKDONJSA-N 0 1 381.263 3.334 20 0 GGADMN C[C@@H](CC(=O)Nc1cccnc1Cl)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161098780 1424658973 /nfs/dbraw/zinc/65/89/73/1424658973.db2.gz UJCZHEAFOMFBNE-NSHDSACASA-N 0 1 381.263 3.334 20 0 GGADMN Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000180118354 1429744883 /nfs/dbraw/zinc/74/48/83/1429744883.db2.gz PJDFAOLOZICADK-UHFFFAOYSA-N 0 1 398.488 3.204 20 0 GGADMN Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826331048 1424666090 /nfs/dbraw/zinc/66/60/90/1424666090.db2.gz REGSQNAIPFSFQP-OAHLLOKOSA-N 0 1 389.463 3.090 20 0 GGADMN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(OC)c2)cc1 ZINC000161259904 1424671057 /nfs/dbraw/zinc/67/10/57/1424671057.db2.gz UFVJDVYCDRGSLL-UHFFFAOYSA-N 0 1 380.441 3.117 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(Cc1ccc(Br)cc1C)CC2 ZINC000161316141 1424676796 /nfs/dbraw/zinc/67/67/96/1424676796.db2.gz IAAMYVWSBJTXHT-UHFFFAOYSA-N 0 1 381.270 3.041 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000821786881 1424678411 /nfs/dbraw/zinc/67/84/11/1424678411.db2.gz KUEAXULVJUWPAD-SFHVURJKSA-N 0 1 383.427 3.360 20 0 GGADMN O[C@H](C1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1)C(F)(F)F ZINC000161337002 1424678802 /nfs/dbraw/zinc/67/88/02/1424678802.db2.gz MHYSMXADHNAUTK-ZIAGYGMSSA-N 0 1 382.220 3.118 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(CCOc1cc(Cl)ccc1Cl)CC2 ZINC000161404191 1424685688 /nfs/dbraw/zinc/68/56/88/1424685688.db2.gz SKIJSXIOGPAOAR-UHFFFAOYSA-N 0 1 387.263 3.156 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)n2)cc1 ZINC000161513261 1424697585 /nfs/dbraw/zinc/69/75/85/1424697585.db2.gz LXAKKGMSPQVECY-NZSAHSFTSA-N 0 1 376.485 3.327 20 0 GGADMN C[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572953 1424699822 /nfs/dbraw/zinc/69/98/22/1424699822.db2.gz YIEFFAPLUZLDKS-DIFFPNOSSA-N 0 1 395.360 3.107 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccnc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000161535902 1424702868 /nfs/dbraw/zinc/70/28/68/1424702868.db2.gz IAUHESFXCIHVBI-OKILXGFUSA-N 0 1 391.874 3.413 20 0 GGADMN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161537105 1424703318 /nfs/dbraw/zinc/70/33/18/1424703318.db2.gz JNJZCUZEORPNMO-WMZOPIPTSA-N 0 1 389.458 3.359 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NCC(=O)N(C)Cc1cccc(OC)c1OC ZINC000161545230 1424705570 /nfs/dbraw/zinc/70/55/70/1424705570.db2.gz VRPVWDWBXPHSHV-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN O=C(NC1CC1)[C@@H](NCCOc1ncccc1C(F)(F)F)c1ccccc1 ZINC000161547082 1424706760 /nfs/dbraw/zinc/70/67/60/1424706760.db2.gz KPRJHGNEYCGMQI-INIZCTEOSA-N 0 1 379.382 3.089 20 0 GGADMN CC(=O)[C@@H]1CC(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)=NN1c1ccccc1 ZINC000161546489 1424706824 /nfs/dbraw/zinc/70/68/24/1424706824.db2.gz DJBWMYAGNWLMHC-KRWDZBQOSA-N 0 1 391.431 3.449 20 0 GGADMN CC(=O)[C@H]1CC(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)=NN1c1ccccc1 ZINC000161546597 1424706912 /nfs/dbraw/zinc/70/69/12/1424706912.db2.gz DJBWMYAGNWLMHC-QGZVFWFLSA-N 0 1 391.431 3.449 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000737635915 1424709117 /nfs/dbraw/zinc/70/91/17/1424709117.db2.gz QBKUZWIRDUQGJZ-INIZCTEOSA-N 0 1 388.397 3.254 20 0 GGADMN COc1cccc(NC(=O)[C@@H](NCC2(OC)CCOCC2)c2ccccc2)c1 ZINC000161555461 1424709366 /nfs/dbraw/zinc/70/93/66/1424709366.db2.gz QRVDPKAWWJIJSF-FQEVSTJZSA-N 0 1 384.476 3.160 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CN3c4ccccc4O[C@H](C)C3=O)c2C)o1 ZINC000161555528 1424709544 /nfs/dbraw/zinc/70/95/44/1424709544.db2.gz PMMDIRMASJCWSP-CYBMUJFWSA-N 0 1 380.404 3.039 20 0 GGADMN Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737332421 1424714594 /nfs/dbraw/zinc/71/45/94/1424714594.db2.gz VXVAESGENDWSMO-HKUYNNGSSA-N 0 1 397.479 3.125 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420536 1424718393 /nfs/dbraw/zinc/71/83/93/1424718393.db2.gz SNYFSIMXKCAGPA-MRXNPFEDSA-N 0 1 376.508 3.354 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)[nH]c21 ZINC000180125079 1429748607 /nfs/dbraw/zinc/74/86/07/1429748607.db2.gz BVZYMQPIQYELQA-KSSFIOAISA-N 0 1 385.414 3.417 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2occc2-c2ccc(F)cc2)CC1 ZINC000161633414 1424729767 /nfs/dbraw/zinc/72/97/67/1424729767.db2.gz PFBPQCPFUOWTLW-UHFFFAOYSA-N 0 1 394.450 3.163 20 0 GGADMN CC[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccc(OC)cc1 ZINC000161634007 1424730087 /nfs/dbraw/zinc/73/00/87/1424730087.db2.gz OKKWKBDLCABRNS-SFHVURJKSA-N 0 1 396.535 3.042 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1-c1ncco1 ZINC000161652859 1424733264 /nfs/dbraw/zinc/73/32/64/1424733264.db2.gz YASABVVQFKNWGE-QGZVFWFLSA-N 0 1 384.480 3.226 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccccc3OCC(F)F)cc2)CC1 ZINC000161661185 1424734806 /nfs/dbraw/zinc/73/48/06/1424734806.db2.gz GOQXASZMBBGGRV-UHFFFAOYSA-N 0 1 389.446 3.330 20 0 GGADMN COC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)CC1 ZINC000180126596 1429749186 /nfs/dbraw/zinc/74/91/86/1429749186.db2.gz XMVZOIAMYLCVLR-UHFFFAOYSA-N 0 1 393.915 3.010 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc2c1oc(=O)n2C ZINC000161670070 1424736984 /nfs/dbraw/zinc/73/69/84/1424736984.db2.gz MQDYGICIBCUKMU-UHFFFAOYSA-N 0 1 397.500 3.241 20 0 GGADMN CCNC(=O)COc1ccc(CNCc2cccc3c2OC(C)(C)C3)cc1OC ZINC000161669853 1424737035 /nfs/dbraw/zinc/73/70/35/1424737035.db2.gz UENNWUGTHOWLGB-UHFFFAOYSA-N 0 1 398.503 3.213 20 0 GGADMN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)cc1 ZINC000161672210 1424737046 /nfs/dbraw/zinc/73/70/46/1424737046.db2.gz UUCXLEXMSLDSAM-AWEZNQCLSA-N 0 1 395.507 3.386 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N2CCCc3ccccc32)cc(OC)c1OC ZINC000161755527 1424757788 /nfs/dbraw/zinc/75/77/88/1424757788.db2.gz NZVSWCAMUPAFNK-HNNXBMFYSA-N 0 1 384.476 3.342 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N2CCCc3ccccc32)cc(OC)c1OC ZINC000161755639 1424757870 /nfs/dbraw/zinc/75/78/70/1424757870.db2.gz NZVSWCAMUPAFNK-OAHLLOKOSA-N 0 1 384.476 3.342 20 0 GGADMN CCc1oc(C(=O)OC)cc1C[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821558606 1424764881 /nfs/dbraw/zinc/76/48/81/1424764881.db2.gz BSMOSQMSUUWZKE-CYBMUJFWSA-N 0 1 383.452 3.392 20 0 GGADMN CC1(C)Cc2cccc(CNCc3cccc(OCCN4CCOCC4)c3)c2O1 ZINC000161799531 1424767626 /nfs/dbraw/zinc/76/76/26/1424767626.db2.gz ABIXJOROCKXAOK-UHFFFAOYSA-N 0 1 396.531 3.401 20 0 GGADMN CC1(C)Cc2cccc(CNCc3ccccc3OCCN3CCOCC3)c2O1 ZINC000161825629 1424773050 /nfs/dbraw/zinc/77/30/50/1424773050.db2.gz JLZGRRWLSHUYQL-UHFFFAOYSA-N 0 1 396.531 3.401 20 0 GGADMN CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000825771343 1424779439 /nfs/dbraw/zinc/77/94/39/1424779439.db2.gz JUXMVVAGHVEZJO-AWEZNQCLSA-N 0 1 389.463 3.372 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000161863023 1424781623 /nfs/dbraw/zinc/78/16/23/1424781623.db2.gz BIZORBPPCQKTEI-RDTXWAMCSA-N 0 1 390.480 3.075 20 0 GGADMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000161875644 1424784925 /nfs/dbraw/zinc/78/49/25/1424784925.db2.gz CCNUAZRWKUMIRW-QRWLVFNGSA-N 0 1 392.927 3.305 20 0 GGADMN Cc1ccc(CNC(=O)[C@H]2NCCc3ccccc32)c(OCC(F)(F)F)c1 ZINC000161883554 1424786909 /nfs/dbraw/zinc/78/69/09/1424786909.db2.gz QNYXAHJKWFDSLZ-SFHVURJKSA-N 0 1 378.394 3.439 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2NCCc3ccccc32)c(OCC(F)(F)F)c1 ZINC000161883664 1424788202 /nfs/dbraw/zinc/78/82/02/1424788202.db2.gz QNYXAHJKWFDSLZ-GOSISDBHSA-N 0 1 378.394 3.439 20 0 GGADMN C[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161888739 1424788810 /nfs/dbraw/zinc/78/88/10/1424788810.db2.gz PMMMBQXZNPDVAE-ZDUSSCGKSA-N 0 1 379.453 3.241 20 0 GGADMN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161888863 1424788949 /nfs/dbraw/zinc/78/89/49/1424788949.db2.gz PMMMBQXZNPDVAE-CYBMUJFWSA-N 0 1 379.453 3.241 20 0 GGADMN O=C1CCCN1Cc1ccccc1CN[C@H]1CCCN(c2ccccc2F)C1=O ZINC000161889872 1424789269 /nfs/dbraw/zinc/78/92/69/1424789269.db2.gz AQKMJHDWUDQLLH-FQEVSTJZSA-N 0 1 395.478 3.233 20 0 GGADMN CC[C@@H](C)[C@H](NCc1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000161914094 1424795122 /nfs/dbraw/zinc/79/51/22/1424795122.db2.gz KGVWNRFKYKFSTE-IERDGZPVSA-N 0 1 383.540 3.472 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCN(c2cccs2)CC1 ZINC000161915080 1424795187 /nfs/dbraw/zinc/79/51/87/1424795187.db2.gz CPXIDEPHCGVTID-KRWDZBQOSA-N 0 1 388.537 3.400 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000161917964 1424796274 /nfs/dbraw/zinc/79/62/74/1424796274.db2.gz LVEQPZUDAMUBKA-UHFFFAOYSA-N 0 1 396.534 3.441 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000161920731 1424796299 /nfs/dbraw/zinc/79/62/99/1424796299.db2.gz RQFSMRBXHTZYNY-AQNXPRMDSA-N 0 1 387.499 3.047 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000161923331 1424798030 /nfs/dbraw/zinc/79/80/30/1424798030.db2.gz RALLVRRGUVBGTC-UYAOXDASSA-N 0 1 376.566 3.127 20 0 GGADMN COCCCOc1cc(C)ccc1CNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000161927943 1424799272 /nfs/dbraw/zinc/79/92/72/1424799272.db2.gz ZPKPYWJOZYYZMH-LJQANCHMSA-N 0 1 376.884 3.380 20 0 GGADMN COc1cccc(Cl)c1CN1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000180137723 1429754184 /nfs/dbraw/zinc/75/41/84/1429754184.db2.gz FKMVTQQTAUEOGU-UHFFFAOYSA-N 0 1 382.932 3.492 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000161952543 1424802611 /nfs/dbraw/zinc/80/26/11/1424802611.db2.gz BARRPXIWEMYXNS-OAHLLOKOSA-N 0 1 394.518 3.409 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2cn(C)c(=O)cc2C)N2CCCCC2)cc1 ZINC000161962138 1424803528 /nfs/dbraw/zinc/80/35/28/1424803528.db2.gz JFPDGLJWGCIXLA-HXUWFJFHSA-N 0 1 398.507 3.051 20 0 GGADMN CC(C)OCCS(=O)(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000161964369 1424803566 /nfs/dbraw/zinc/80/35/66/1424803566.db2.gz ARIZENAMROUMIC-UHFFFAOYSA-N 0 1 386.477 3.305 20 0 GGADMN CC(C)OCCS(=O)(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000161964369 1424803568 /nfs/dbraw/zinc/80/35/68/1424803568.db2.gz ARIZENAMROUMIC-UHFFFAOYSA-N 0 1 386.477 3.305 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2cn(C)c(=O)cc2C)N2CCCCC2)cc1 ZINC000161962000 1424803624 /nfs/dbraw/zinc/80/36/24/1424803624.db2.gz JFPDGLJWGCIXLA-FQEVSTJZSA-N 0 1 398.507 3.051 20 0 GGADMN CCCC[N@H+](C)c1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736453512 1424804159 /nfs/dbraw/zinc/80/41/59/1424804159.db2.gz OVELLZQAMVIESQ-IBGZPJMESA-N 0 1 394.479 3.429 20 0 GGADMN CCCC[N@@H+](C)c1ccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736453512 1424804173 /nfs/dbraw/zinc/80/41/73/1424804173.db2.gz OVELLZQAMVIESQ-IBGZPJMESA-N 0 1 394.479 3.429 20 0 GGADMN CC[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000162015629 1424808576 /nfs/dbraw/zinc/80/85/76/1424808576.db2.gz VYRSEBKVQGGAJM-HNAYVOBHSA-N 0 1 381.467 3.170 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000162076519 1424814314 /nfs/dbraw/zinc/81/43/14/1424814314.db2.gz VGNTZOWFPPCWTB-IAGOWNOFSA-N 0 1 376.497 3.468 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)Cc3ccc(C)s3)n2)cc1 ZINC000162116389 1424817706 /nfs/dbraw/zinc/81/77/06/1424817706.db2.gz FILDIAACVSEPQF-GFCCVEGCSA-N 0 1 385.493 3.281 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C)Cc3ccc(C)s3)n[nH]2)cc1 ZINC000162116389 1424817708 /nfs/dbraw/zinc/81/77/08/1424817708.db2.gz FILDIAACVSEPQF-GFCCVEGCSA-N 0 1 385.493 3.281 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1F ZINC000162126253 1424817994 /nfs/dbraw/zinc/81/79/94/1424817994.db2.gz DUGPKHZHGZMUKC-UHFFFAOYSA-N 0 1 382.443 3.005 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3ccccc3SCC(N)=O)c2C1 ZINC000162162353 1424821444 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0 GGADMN COc1cc(OC)c(OC)cc1CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000162208739 1424826631 /nfs/dbraw/zinc/82/66/31/1424826631.db2.gz GUFTUTLOAULSFV-HNNXBMFYSA-N 0 1 382.464 3.486 20 0 GGADMN Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000162214631 1424827226 /nfs/dbraw/zinc/82/72/26/1424827226.db2.gz RWBNXASSTQWSCI-UHFFFAOYSA-N 0 1 380.492 3.316 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)N2CCCC2)o1 ZINC000162243170 1424830022 /nfs/dbraw/zinc/83/00/22/1424830022.db2.gz GGNPNYPXJUYGJR-IBGZPJMESA-N 0 1 381.476 3.047 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(OC(C)(C)C)CC2)cc1F ZINC000162381235 1424843921 /nfs/dbraw/zinc/84/39/21/1424843921.db2.gz QBBCMRFVGJYKRQ-HNNXBMFYSA-N 0 1 380.504 3.461 20 0 GGADMN COc1ccccc1[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccn1 ZINC000162383038 1424844481 /nfs/dbraw/zinc/84/44/81/1424844481.db2.gz QOJBVMLIMOMWIH-HXUWFJFHSA-N 0 1 385.427 3.395 20 0 GGADMN COc1c(CN[C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)nn1C ZINC000162383700 1424844666 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3.044 20 0 GGADMN COc1cccc([C@@H](O)C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 ZINC000162430309 1424851086 /nfs/dbraw/zinc/85/10/86/1424851086.db2.gz CKFLUYUJSHCIFZ-HXUWFJFHSA-N 0 1 386.517 3.225 20 0 GGADMN CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826226953 1424851630 /nfs/dbraw/zinc/85/16/30/1424851630.db2.gz JBPZBYLFDASJMX-RTBURBONSA-N 0 1 386.569 3.095 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@H]2CCCS2)N2CCCCC2)cc1 ZINC000162434766 1424851728 /nfs/dbraw/zinc/85/17/28/1424851728.db2.gz OQBUJHWTCKZJDU-MOPGFXCFSA-N 0 1 377.554 3.417 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2nnc3n2CCCC3)c1 ZINC000162440222 1424852245 /nfs/dbraw/zinc/85/22/45/1424852245.db2.gz GEYZENVZUNKYJV-UHFFFAOYSA-N 0 1 375.476 3.499 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NOCCC(F)(F)F)N1CCCC1 ZINC000162443164 1424852915 /nfs/dbraw/zinc/85/29/15/1424852915.db2.gz NPOZREIWHZBUCF-CQSZACIVSA-N 0 1 375.391 3.015 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3cccc(OC(F)F)c3)[nH]c21 ZINC000162451678 1424853596 /nfs/dbraw/zinc/85/35/96/1424853596.db2.gz TUSKBLSHBJTKEK-UHFFFAOYSA-N 0 1 375.331 3.132 20 0 GGADMN COc1ccc(OC)c([C@H](O)CNCc2nc3cc(Cl)ccc3n2C)c1 ZINC000162454504 1424854277 /nfs/dbraw/zinc/85/42/77/1424854277.db2.gz NXTBXVJMMISGFB-QGZVFWFLSA-N 0 1 375.856 3.067 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccccc1OC(F)(F)F ZINC000162459590 1424855026 /nfs/dbraw/zinc/85/50/26/1424855026.db2.gz CLCQBEBJVDIZOO-CYBMUJFWSA-N 0 1 388.411 3.214 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)[nH]c21 ZINC000162459043 1424855034 /nfs/dbraw/zinc/85/50/34/1424855034.db2.gz RHODEHHBYFSDSH-LLVKDONJSA-N 0 1 383.379 3.336 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(Cl)c(N)c(Cl)c3)[nH]c21 ZINC000162482887 1424857531 /nfs/dbraw/zinc/85/75/31/1424857531.db2.gz HYELZBQKOLCPKR-UHFFFAOYSA-N 0 1 379.203 3.491 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)n(-c4ccc(F)cc4F)n3)n2)o1 ZINC000162491932 1424858632 /nfs/dbraw/zinc/85/86/32/1424858632.db2.gz LVAXQZGPVLCGGQ-UHFFFAOYSA-N 0 1 384.346 3.398 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC000162495712 1424859014 /nfs/dbraw/zinc/85/90/14/1424859014.db2.gz KESDWIWOVLBOLZ-GFCCVEGCSA-N 0 1 388.411 3.056 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3csc(-c4ccc(C)n4C)n3)[nH]c21 ZINC000162513575 1424860626 /nfs/dbraw/zinc/86/06/26/1424860626.db2.gz CWLFUKWTTXFZCB-UHFFFAOYSA-N 0 1 395.444 3.372 20 0 GGADMN Cc1ccccc1C1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CCOCC1 ZINC000162521935 1424861871 /nfs/dbraw/zinc/86/18/71/1424861871.db2.gz AVZAONOQFCETSM-UHFFFAOYSA-N 0 1 376.460 3.258 20 0 GGADMN CC(=O)c1ccccc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000162527189 1424862437 /nfs/dbraw/zinc/86/24/37/1424862437.db2.gz NYTKPSHGAISSAN-OAHLLOKOSA-N 0 1 383.467 3.271 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(-c4ccccc4Cl)c3)[nH]c21 ZINC000162531479 1424862958 /nfs/dbraw/zinc/86/29/58/1424862958.db2.gz ICWDGONHUNXZTD-UHFFFAOYSA-N 0 1 395.806 3.441 20 0 GGADMN CN(C)C(=O)COc1ccccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000162539344 1424863994 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393.401 3.292 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826052720 1424871382 /nfs/dbraw/zinc/87/13/82/1424871382.db2.gz SYTNVFBXVYLKGT-KRWDZBQOSA-N 0 1 393.401 3.292 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826052720 1424871393 /nfs/dbraw/zinc/87/13/93/1424871393.db2.gz SYTNVFBXVYLKGT-KRWDZBQOSA-N 0 1 393.401 3.292 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3cc(C)cc(OC)c3)CC2)cc1 ZINC000162613086 1424871919 /nfs/dbraw/zinc/87/19/19/1424871919.db2.gz NSCHDJUXFFMPMT-UHFFFAOYSA-N 0 1 397.519 3.430 20 0 GGADMN O=C(C1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1)N1CCOCC1 ZINC000162677754 1424878401 /nfs/dbraw/zinc/87/84/01/1424878401.db2.gz PYZZKEMMARFYIR-UHFFFAOYSA-N 0 1 388.842 3.012 20 0 GGADMN COc1cc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)ccc1NC(N)=O ZINC000162689465 1424880433 /nfs/dbraw/zinc/88/04/33/1424880433.db2.gz CXSODAQAEFPRSK-GOSISDBHSA-N 0 1 382.464 3.179 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CCN1CCOC 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3.482 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(-c2nnc[nH]2)c1 ZINC000162762478 1424888886 /nfs/dbraw/zinc/88/88/86/1424888886.db2.gz GLUJQLDLUXVTII-AWEZNQCLSA-N 0 1 385.830 3.273 20 0 GGADMN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000162773495 1424889658 /nfs/dbraw/zinc/88/96/58/1424889658.db2.gz SKPJDFCCLWXYBZ-FQEVSTJZSA-N 0 1 392.459 3.302 20 0 GGADMN COc1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)ccc1NC(N)=O ZINC000162806023 1424892085 /nfs/dbraw/zinc/89/20/85/1424892085.db2.gz KJWFFLKBPPBWOJ-UHFFFAOYSA-N 0 1 385.811 3.482 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000162824156 1424893927 /nfs/dbraw/zinc/89/39/27/1424893927.db2.gz AVOVGGXEBSLNNX-NZQKXSOJSA-N 0 1 395.503 3.300 20 0 GGADMN O=C(CC[C@H]1Cc2ccccc2NC1=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000162838767 1424895129 /nfs/dbraw/zinc/89/51/29/1424895129.db2.gz FEGAJNGNQSIPBO-ROUUACIJSA-N 0 1 382.460 3.378 20 0 GGADMN C[C@H](NCc1ccccc1OCCO)c1ccc(OCc2nccn2C)cc1 ZINC000162865907 1424897877 /nfs/dbraw/zinc/89/78/77/1424897877.db2.gz LITILAWGVRXBHL-KRWDZBQOSA-N 0 1 381.476 3.221 20 0 GGADMN CCCC[C@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000162899362 1424902503 /nfs/dbraw/zinc/90/25/03/1424902503.db2.gz ZVOIMDNLWWUWTM-QGZVFWFLSA-N 0 1 389.521 3.043 20 0 GGADMN CCOc1cccc(CNc2ccc(N3CCN(C)CC3)nc2)c1OC(F)F ZINC000162903641 1424902819 /nfs/dbraw/zinc/90/28/19/1424902819.db2.gz XHWRJKCZAGTYJT-UHFFFAOYSA-N 0 1 392.450 3.446 20 0 GGADMN CCCC[C@@H](C[NH3+])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000162899228 1424902953 /nfs/dbraw/zinc/90/29/53/1424902953.db2.gz ZVOIMDNLWWUWTM-KRWDZBQOSA-N 0 1 389.521 3.043 20 0 GGADMN CC(=O)N[C@H](CC(=O)OC[C@@H]1CCCN1Cc1ccco1)c1ccc(C)cc1 ZINC000162905559 1424903478 /nfs/dbraw/zinc/90/34/78/1424903478.db2.gz YJUYABXHBYJSGV-PZJWPPBQSA-N 0 1 384.476 3.363 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1F ZINC000162909408 1424903740 /nfs/dbraw/zinc/90/37/40/1424903740.db2.gz BNSIDOZAFPTTGD-QGZVFWFLSA-N 0 1 389.496 3.341 20 0 GGADMN C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1cccc(F)c1F ZINC000162906528 1424903812 /nfs/dbraw/zinc/90/38/12/1424903812.db2.gz PWFGILHRYILBKP-NSHDSACASA-N 0 1 376.407 3.008 20 0 GGADMN CC(=O)N[C@@H](CC(=O)OC[C@@H]1CCCN1Cc1ccco1)c1ccc(C)cc1 ZINC000162905651 1424903844 /nfs/dbraw/zinc/90/38/44/1424903844.db2.gz YJUYABXHBYJSGV-FPOVZHCZSA-N 0 1 384.476 3.363 20 0 GGADMN C[C@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000162921117 1424906146 /nfs/dbraw/zinc/90/61/46/1424906146.db2.gz BSJGBECKBFMZBQ-WMZOPIPTSA-N 0 1 386.448 3.102 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162925385 1424907369 /nfs/dbraw/zinc/90/73/69/1424907369.db2.gz DRZAZRUACGDJFR-SJORKVTESA-N 0 1 398.511 3.001 20 0 GGADMN COc1cc(CNc2ccc(N3CCN(C)CC3)nc2)ccc1OC(F)F ZINC000162937990 1424908847 /nfs/dbraw/zinc/90/88/47/1424908847.db2.gz IFANWODLGXRFQT-UHFFFAOYSA-N 0 1 378.423 3.056 20 0 GGADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1OC(F)F ZINC000162938247 1424908967 /nfs/dbraw/zinc/90/89/67/1424908967.db2.gz NSIKETWNXWGFKB-UHFFFAOYSA-N 0 1 378.423 3.056 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)OCCO2 ZINC000162934972 1424909161 /nfs/dbraw/zinc/90/91/61/1424909161.db2.gz MCWZQGYXZKUATB-CJNGLKHVSA-N 0 1 397.479 3.104 20 0 GGADMN O=C(NCCCOC1CCCCC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162947633 1424910546 /nfs/dbraw/zinc/91/05/46/1424910546.db2.gz OWMCNSINWRYLIB-INIZCTEOSA-N 0 1 375.517 3.311 20 0 GGADMN COc1ccc(C)cc1CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162946348 1424910753 /nfs/dbraw/zinc/91/07/53/1424910753.db2.gz HCWPLDPKKJGLDO-QGZVFWFLSA-N 0 1 383.496 3.131 20 0 GGADMN CC(C)CN1N=C(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)CCC1=O ZINC000162945652 1424911141 /nfs/dbraw/zinc/91/11/41/1424911141.db2.gz PSSYXRMJEYAJRP-UHFFFAOYSA-N 0 1 382.468 3.168 20 0 GGADMN O=C(NCc1coc(-c2cccs2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162953255 1424911842 /nfs/dbraw/zinc/91/18/42/1424911842.db2.gz VWHTXNHWBDRBHW-ZDUSSCGKSA-N 0 1 398.492 3.488 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1-c1ncco1 ZINC000162960097 1424913243 /nfs/dbraw/zinc/91/32/43/1424913243.db2.gz VYWXKXRFXLKGSP-IBGZPJMESA-N 0 1 385.512 3.044 20 0 GGADMN Cc1nc(COc2cccc(C(=O)OC[C@@H]3CCCN3Cc3ccco3)c2)no1 ZINC000162958159 1424913584 /nfs/dbraw/zinc/91/35/84/1424913584.db2.gz BLTBWQYNTMQYBG-KRWDZBQOSA-N 0 1 397.431 3.371 20 0 GGADMN CCOc1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000162979991 1424916751 /nfs/dbraw/zinc/91/67/51/1424916751.db2.gz JYZCDHKTBGQWQC-MRXNPFEDSA-N 0 1 399.495 3.179 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)N(C)c1ccccc1 ZINC000162987959 1424918430 /nfs/dbraw/zinc/91/84/30/1424918430.db2.gz HUELAUAXOOLTPV-WBVHZDCISA-N 0 1 382.512 3.096 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OC[C@H]2CCCN2Cc2ccco2)cc1 ZINC000163005141 1424921968 /nfs/dbraw/zinc/92/19/68/1424921968.db2.gz VCCDEMFQXVWILN-TZIWHRDSSA-N 0 1 396.487 3.287 20 0 GGADMN Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(Br)n1 ZINC000163027266 1424925914 /nfs/dbraw/zinc/92/59/14/1424925914.db2.gz NXRLJTGKSUZHNI-CQSZACIVSA-N 0 1 388.309 3.329 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(-c2nnc[nH]2)c1 ZINC000163044026 1424929509 /nfs/dbraw/zinc/92/95/09/1424929509.db2.gz GYEASURXSGQZPD-ZDUSSCGKSA-N 0 1 383.402 3.006 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)[nH]n2)c1 ZINC000163051929 1424931198 /nfs/dbraw/zinc/93/11/98/1424931198.db2.gz NQWJYEBAYKCOLR-UHFFFAOYSA-N 0 1 380.379 3.361 20 0 GGADMN Cc1cccc(OC[C@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000163053280 1424931428 /nfs/dbraw/zinc/93/14/28/1424931428.db2.gz RRCCAZMDYOIVAT-DOTOQJQBSA-N 0 1 383.496 3.347 20 0 GGADMN O=C(CCCNC(=O)c1ccc(F)cc1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000163059227 1424932914 /nfs/dbraw/zinc/93/29/14/1424932914.db2.gz XLSXMTWFCXEWCB-SFHVURJKSA-N 0 1 388.439 3.137 20 0 GGADMN O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163057445 1424933162 /nfs/dbraw/zinc/93/31/62/1424933162.db2.gz WQADCDXQWHHKJB-KRWDZBQOSA-N 0 1 394.523 3.240 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824763505 1424934822 /nfs/dbraw/zinc/93/48/22/1424934822.db2.gz MYNYHGGYMXQCIK-ZDUSSCGKSA-N 0 1 388.928 3.460 20 0 GGADMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000821891142 1424938817 /nfs/dbraw/zinc/93/88/17/1424938817.db2.gz WJYNIZJAAXQSFI-HNNXBMFYSA-N 0 1 376.464 3.191 20 0 GGADMN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000821891142 1424938818 /nfs/dbraw/zinc/93/88/18/1424938818.db2.gz WJYNIZJAAXQSFI-HNNXBMFYSA-N 0 1 376.464 3.191 20 0 GGADMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000821891142 1424938821 /nfs/dbraw/zinc/93/88/21/1424938821.db2.gz WJYNIZJAAXQSFI-HNNXBMFYSA-N 0 1 376.464 3.191 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1-c1nnn[n-]1 ZINC000826332154 1424942682 /nfs/dbraw/zinc/94/26/82/1424942682.db2.gz LKGBYTVHTJCUND-OAHLLOKOSA-N 0 1 389.463 3.259 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1-c1nnn[n-]1 ZINC000826332154 1424942686 /nfs/dbraw/zinc/94/26/86/1424942686.db2.gz LKGBYTVHTJCUND-OAHLLOKOSA-N 0 1 389.463 3.259 20 0 GGADMN Cc1ccnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826309732 1424942843 /nfs/dbraw/zinc/94/28/43/1424942843.db2.gz ZUCDPEXUQHUUSX-SJLPKXTDSA-N 0 1 377.496 3.059 20 0 GGADMN Cc1ccnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826309732 1424942847 /nfs/dbraw/zinc/94/28/47/1424942847.db2.gz ZUCDPEXUQHUUSX-SJLPKXTDSA-N 0 1 377.496 3.059 20 0 GGADMN Cc1ccnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826309732 1424942851 /nfs/dbraw/zinc/94/28/51/1424942851.db2.gz ZUCDPEXUQHUUSX-SJLPKXTDSA-N 0 1 377.496 3.059 20 0 GGADMN C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820299398 1424943045 /nfs/dbraw/zinc/94/30/45/1424943045.db2.gz GGNRGDBLSMJOTA-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163114340 1424943644 /nfs/dbraw/zinc/94/36/44/1424943644.db2.gz MCNSJIJNQQCVRE-LBPRGKRZSA-N 0 1 396.896 3.041 20 0 GGADMN O=C(OC[C@H]1CCCN1Cc1ccco1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000163113359 1424943937 /nfs/dbraw/zinc/94/39/37/1424943937.db2.gz FSTYUMRWUXYQOQ-WOJBJXKFSA-N 0 1 396.487 3.340 20 0 GGADMN Cn1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360865 1424945064 /nfs/dbraw/zinc/94/50/64/1424945064.db2.gz BAOLQOJSRHNJIJ-ZWKOTPCHSA-N 0 1 395.536 3.127 20 0 GGADMN Cc1csc(CCCCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000163131321 1424947482 /nfs/dbraw/zinc/94/74/82/1424947482.db2.gz GLYLPBOJRFMFSK-OAHLLOKOSA-N 0 1 388.541 3.359 20 0 GGADMN Cc1ccccc1OCCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163143164 1424949291 /nfs/dbraw/zinc/94/92/91/1424949291.db2.gz QHQFUYXSLICELY-KRWDZBQOSA-N 0 1 383.496 3.349 20 0 GGADMN CC(C)OC1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824309624 1424949549 /nfs/dbraw/zinc/94/95/49/1424949549.db2.gz SDVUSXJEMUPNBJ-UHFFFAOYSA-N 0 1 395.511 3.093 20 0 GGADMN COCc1cc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1F ZINC000163150612 1424950011 /nfs/dbraw/zinc/95/00/11/1424950011.db2.gz WLLSPISCXXUVEA-OAHLLOKOSA-N 0 1 387.459 3.057 20 0 GGADMN CC(C)[C@H](NC(=O)c1cccs1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000163164386 1424951882 /nfs/dbraw/zinc/95/18/82/1424951882.db2.gz XKTSMZKSAYYUHU-YJBOKZPZSA-N 0 1 390.505 3.303 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c(C)o1 ZINC000163172576 1424953083 /nfs/dbraw/zinc/95/30/83/1424953083.db2.gz VBSGITWODRRZEQ-UHFFFAOYSA-N 0 1 395.824 3.015 20 0 GGADMN Cn1cc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361418 1424953179 /nfs/dbraw/zinc/95/31/79/1424953179.db2.gz WSAHOPGQGGYLFB-OALUTQOASA-N 0 1 377.496 3.326 20 0 GGADMN O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163170876 1424953499 /nfs/dbraw/zinc/95/34/99/1424953499.db2.gz ZGCPUFPVRWTUCZ-ZWKOTPCHSA-N 0 1 394.523 3.240 20 0 GGADMN O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163170756 1424953651 /nfs/dbraw/zinc/95/36/51/1424953651.db2.gz ZGCPUFPVRWTUCZ-ROUUACIJSA-N 0 1 394.523 3.240 20 0 GGADMN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163177923 1424954209 /nfs/dbraw/zinc/95/42/09/1424954209.db2.gz LIEOGNPSUSDAOQ-IXDOHACOSA-N 0 1 389.544 3.412 20 0 GGADMN O=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163195872 1424956652 /nfs/dbraw/zinc/95/66/52/1424956652.db2.gz WZTWIXPQCZJNRL-MSOLQXFVSA-N 0 1 383.496 3.085 20 0 GGADMN CCN1CCCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)CC1 ZINC000163199980 1424957695 /nfs/dbraw/zinc/95/76/95/1424957695.db2.gz UOYBAONBONVWFA-GOSISDBHSA-N 0 1 395.503 3.319 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)o1 ZINC000163202422 1424957892 /nfs/dbraw/zinc/95/78/92/1424957892.db2.gz GLCUMGHUZXNDCF-GDBMZVCRSA-N 0 1 387.484 3.114 20 0 GGADMN Cc1csc([C@@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C2CC2)n1 ZINC000163206597 1424958541 /nfs/dbraw/zinc/95/85/41/1424958541.db2.gz OUHCHSUETFAWTP-CABCVRRESA-N 0 1 386.525 3.487 20 0 GGADMN Cc1cccc(O[C@H](C)CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000163211570 1424959353 /nfs/dbraw/zinc/95/93/53/1424959353.db2.gz RZJLCRMEOWLVQT-NVXWUHKLSA-N 0 1 383.496 3.347 20 0 GGADMN C[C@@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Oc1cccc(F)c1 ZINC000163212647 1424960155 /nfs/dbraw/zinc/96/01/55/1424960155.db2.gz OKWUZAXYGHEFKC-DZGCQCFKSA-N 0 1 387.459 3.178 20 0 GGADMN C[C@@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Oc1ccccc1F ZINC000163215565 1424960258 /nfs/dbraw/zinc/96/02/58/1424960258.db2.gz CJLPJTXRMYKXOQ-ZFWWWQNUSA-N 0 1 387.459 3.178 20 0 GGADMN COc1cccc(O[C@@H](C)CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000163213502 1424960334 /nfs/dbraw/zinc/96/03/34/1424960334.db2.gz WWDJKDAXASQMAX-GOEBONIOSA-N 0 1 399.495 3.047 20 0 GGADMN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000163222347 1424961220 /nfs/dbraw/zinc/96/12/20/1424961220.db2.gz OZPXJSOOUXVBSF-UGKGYDQZSA-N 0 1 396.487 3.323 20 0 GGADMN COc1ccc2nc(S[C@@H](C)C(=O)c3ccc4c(c3)CC(=O)N4C)[nH]c2c1 ZINC000163220536 1424961236 /nfs/dbraw/zinc/96/12/36/1424961236.db2.gz QCHBGKJYPGOQSM-NSHDSACASA-N 0 1 381.457 3.454 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C12CCCC2 ZINC000163222154 1424961357 /nfs/dbraw/zinc/96/13/57/1424961357.db2.gz WJLLZWSUJZIDRZ-YESZJQIVSA-N 0 1 387.528 3.309 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163218258 1424961408 /nfs/dbraw/zinc/96/14/08/1424961408.db2.gz XWXZOXLEMLAGMT-GOEBONIOSA-N 0 1 399.495 3.047 20 0 GGADMN O=C(CCCNC(=O)c1ccsc1)OC[C@H]1CCCN1Cc1ccco1 ZINC000163224312 1424961881 /nfs/dbraw/zinc/96/18/81/1424961881.db2.gz AUVVCHNJPFHPRE-MRXNPFEDSA-N 0 1 376.478 3.059 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1nc(C(C)(C)C)no1 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COc1cccc2c1CC[C@H]2NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163263673 1424968553 /nfs/dbraw/zinc/96/85/53/1424968553.db2.gz LFRISNAAYIXQMF-WMLDXEAASA-N 0 1 381.480 3.267 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000163266287 1424969293 /nfs/dbraw/zinc/96/92/93/1424969293.db2.gz XPKJJVUXIWDKGU-ICSRJNTNSA-N 0 1 377.916 3.299 20 0 GGADMN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000163269217 1424970319 /nfs/dbraw/zinc/97/03/19/1424970319.db2.gz MWGQQMDVPMCMNC-FPOVZHCZSA-N 0 1 396.487 3.021 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CC[NH+](CC=Cc2ccccc2)CC1 ZINC000738177781 1424973461 /nfs/dbraw/zinc/97/34/61/1424973461.db2.gz NYANBEQEEQZNJN-VMPITWQZSA-N 0 1 388.475 3.231 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825067956 1424973684 /nfs/dbraw/zinc/97/36/84/1424973684.db2.gz OEGQEOJALVLXIK-KBPBESRZSA-N 0 1 396.470 3.385 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000163297445 1424975342 /nfs/dbraw/zinc/97/53/42/1424975342.db2.gz LXIYIKPTQMPLLE-CRAIPNDOSA-N 0 1 397.523 3.459 20 0 GGADMN CC1(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)Cc2ccccc2C1 ZINC000163303874 1424976285 /nfs/dbraw/zinc/97/62/85/1424976285.db2.gz PGGCPAWWVPFGBX-GOSISDBHSA-N 0 1 379.508 3.376 20 0 GGADMN Cc1c(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822096744 1424980788 /nfs/dbraw/zinc/98/07/88/1424980788.db2.gz QBOBNKJIFGWTKC-OAHLLOKOSA-N 0 1 393.495 3.426 20 0 GGADMN O=C(CN[C@@H]1CCSc2ccc(F)cc21)N1CCN(c2ccccc2)CC1 ZINC000163334778 1424981454 /nfs/dbraw/zinc/98/14/54/1424981454.db2.gz HCTFDJLASGXJMJ-LJQANCHMSA-N 0 1 385.508 3.301 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736224557 1424986146 /nfs/dbraw/zinc/98/61/46/1424986146.db2.gz NFDIEHALCILRCU-TUAOUCFPSA-N 0 1 383.422 3.059 20 0 GGADMN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736224557 1424986150 /nfs/dbraw/zinc/98/61/50/1424986150.db2.gz NFDIEHALCILRCU-TUAOUCFPSA-N 0 1 383.422 3.059 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736224557 1424986153 /nfs/dbraw/zinc/98/61/53/1424986153.db2.gz NFDIEHALCILRCU-TUAOUCFPSA-N 0 1 383.422 3.059 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000163369076 1424986588 /nfs/dbraw/zinc/98/65/88/1424986588.db2.gz CNDSTJXGOQOAJE-MRXNPFEDSA-N 0 1 389.446 3.287 20 0 GGADMN FC(F)(F)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826368729 1424987207 /nfs/dbraw/zinc/98/72/07/1424987207.db2.gz ZOKOZNPGAGALKV-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826368729 1424987212 /nfs/dbraw/zinc/98/72/12/1424987212.db2.gz ZOKOZNPGAGALKV-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C(C)(C)c3ccc(OC)cc3)n2)cc1 ZINC000163374110 1424987445 /nfs/dbraw/zinc/98/74/45/1424987445.db2.gz HTOKCQCVVIDWRF-UHFFFAOYSA-N 0 1 380.448 3.083 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C(C)(C)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000163374110 1424987451 /nfs/dbraw/zinc/98/74/51/1424987451.db2.gz HTOKCQCVVIDWRF-UHFFFAOYSA-N 0 1 380.448 3.083 20 0 GGADMN O=C(NCc1ccc(C(=O)Nc2ccncc2)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000163375554 1424987685 /nfs/dbraw/zinc/98/76/85/1424987685.db2.gz BXKUVSJLKGUVRM-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN CCc1noc(C)c1CN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000163385925 1424988832 /nfs/dbraw/zinc/98/88/32/1424988832.db2.gz XDDBYQLMIITJAQ-QGZVFWFLSA-N 0 1 391.537 3.044 20 0 GGADMN CCOc1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OCC ZINC000163381527 1424988851 /nfs/dbraw/zinc/98/88/51/1424988851.db2.gz JZKOJRPXMJVJEQ-HNNXBMFYSA-N 0 1 392.521 3.324 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)nn2)CCN1CCOC ZINC000163424424 1424996472 /nfs/dbraw/zinc/99/64/72/1424996472.db2.gz LJXUAJYRTQILCG-GOSISDBHSA-N 0 1 383.496 3.108 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736000560 1424996538 /nfs/dbraw/zinc/99/65/38/1424996538.db2.gz KVHPVKLZRBJDMX-CYBMUJFWSA-N 0 1 384.871 3.194 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000826029843 1424997792 /nfs/dbraw/zinc/99/77/92/1424997792.db2.gz XZDVSXYXJNENSD-DLBZAZTESA-N 0 1 397.870 3.087 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccc(Cl)cc1 ZINC000826029843 1424997793 /nfs/dbraw/zinc/99/77/93/1424997793.db2.gz XZDVSXYXJNENSD-DLBZAZTESA-N 0 1 397.870 3.087 20 0 GGADMN CCc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000163435258 1424998103 /nfs/dbraw/zinc/99/81/03/1424998103.db2.gz MHHUCUYEWPEXEP-FQEVSTJZSA-N 0 1 383.467 3.280 20 0 GGADMN Cc1c([C@@H](C)NCCCOC[C@H]2CCCO2)nnn1-c1cccc(Cl)c1 ZINC000163461331 1425002713 /nfs/dbraw/zinc/00/27/13/1425002713.db2.gz IYLROWHIKYIVJO-RDTXWAMCSA-N 0 1 378.904 3.465 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@@H]2CCCO2)nnn1-c1cccc(Cl)c1 ZINC000163461269 1425003030 /nfs/dbraw/zinc/00/30/30/1425003030.db2.gz IYLROWHIKYIVJO-KSSFIOAISA-N 0 1 378.904 3.465 20 0 GGADMN CC(C)OCCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735895651 1425022291 /nfs/dbraw/zinc/02/22/91/1425022291.db2.gz DROWNTLWJMKUPW-UHFFFAOYSA-N 0 1 381.480 3.350 20 0 GGADMN C[C@H]1CCC[C@](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)([NH+](C)C)C1 ZINC000736247165 1425022574 /nfs/dbraw/zinc/02/25/74/1425022574.db2.gz AQZQWGZTDISNMZ-ZBEGNZNMSA-N 0 1 383.422 3.203 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCN1CCOC ZINC000163625810 1425025968 /nfs/dbraw/zinc/02/59/68/1425025968.db2.gz NSOUCICMBLNIEX-RTBURBONSA-N 0 1 381.561 3.011 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569300 1425025851 /nfs/dbraw/zinc/02/58/51/1425025851.db2.gz GQGGNNJLYRVZAD-QLJPJBMISA-N 0 1 395.360 3.409 20 0 GGADMN COc1ccc([C@H](NC(=O)c2[nH]nc3c2CCC3)c2ccccc2OC)cc1 ZINC000163629565 1425026150 /nfs/dbraw/zinc/02/61/50/1425026150.db2.gz 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O=S(=O)(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(OCC(F)(F)F)nc1 ZINC000180158933 1429771215 /nfs/dbraw/zinc/77/12/15/1429771215.db2.gz XORFFODESOIEOK-UHFFFAOYSA-N 0 1 398.366 3.214 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000163683273 1425033111 /nfs/dbraw/zinc/03/31/11/1425033111.db2.gz PAHNNFJABOQYKG-RDJZCZTQSA-N 0 1 398.507 3.242 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000163688918 1425033695 /nfs/dbraw/zinc/03/36/95/1425033695.db2.gz SROQMKJNSVUDOT-WBVHZDCISA-N 0 1 398.507 3.242 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000163688682 1425034031 /nfs/dbraw/zinc/03/40/31/1425034031.db2.gz SROQMKJNSVUDOT-RDJZCZTQSA-N 0 1 398.507 3.242 20 0 GGADMN CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439877 1425035735 /nfs/dbraw/zinc/03/57/35/1425035735.db2.gz RQZJKZWRKJLFQK-OAHLLOKOSA-N 0 1 388.479 3.245 20 0 GGADMN COC(=O)c1cccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000163708823 1425036819 /nfs/dbraw/zinc/03/68/19/1425036819.db2.gz WGQZESWIABKDHP-HNNXBMFYSA-N 0 1 382.464 3.215 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000163735465 1425039626 /nfs/dbraw/zinc/03/96/26/1425039626.db2.gz YRYKJVDGMOJKEA-QGZVFWFLSA-N 0 1 391.512 3.322 20 0 GGADMN CC(C)C[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)C[C@H](O)c1ccc(F)cc1 ZINC000824261543 1425044036 /nfs/dbraw/zinc/04/40/36/1425044036.db2.gz MAKDKDXEEPZEGE-SFHVURJKSA-N 0 1 387.434 3.337 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826208719 1425045466 /nfs/dbraw/zinc/04/54/66/1425045466.db2.gz XLIOOUNGKFHEPG-CQSZACIVSA-N 0 1 398.898 3.378 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826208719 1425045475 /nfs/dbraw/zinc/04/54/75/1425045475.db2.gz XLIOOUNGKFHEPG-CQSZACIVSA-N 0 1 398.898 3.378 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826208719 1425045482 /nfs/dbraw/zinc/04/54/82/1425045482.db2.gz XLIOOUNGKFHEPG-CQSZACIVSA-N 0 1 398.898 3.378 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360237 1425047157 /nfs/dbraw/zinc/04/71/57/1425047157.db2.gz CHIXGOGSINPGQN-LJQANCHMSA-N 0 1 377.496 3.422 20 0 GGADMN Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360237 1425047163 /nfs/dbraw/zinc/04/71/63/1425047163.db2.gz CHIXGOGSINPGQN-LJQANCHMSA-N 0 1 377.496 3.422 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360237 1425047169 /nfs/dbraw/zinc/04/71/69/1425047169.db2.gz CHIXGOGSINPGQN-LJQANCHMSA-N 0 1 377.496 3.422 20 0 GGADMN CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824324809 1429772252 /nfs/dbraw/zinc/77/22/52/1429772252.db2.gz WCRRENZPTDICSI-ORAYPTAESA-N 0 1 385.443 3.177 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1 ZINC000163895747 1425055243 /nfs/dbraw/zinc/05/52/43/1425055243.db2.gz KUXNAWWSDKWFDA-CABCVRRESA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)n[nH]2)cc1 ZINC000163895747 1425055253 /nfs/dbraw/zinc/05/52/53/1425055253.db2.gz KUXNAWWSDKWFDA-CABCVRRESA-N 0 1 384.386 3.178 20 0 GGADMN CN(CCc1nccs1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000163888883 1425055639 /nfs/dbraw/zinc/05/56/39/1425055639.db2.gz MXYPPPUNGPKQRI-UHFFFAOYSA-N 0 1 376.501 3.131 20 0 GGADMN Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCOc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000822458618 1425063915 /nfs/dbraw/zinc/06/39/15/1425063915.db2.gz FZQFDZCLVDTVRU-KRWDZBQOSA-N 0 1 384.509 3.410 20 0 GGADMN CC[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000163998507 1425066701 /nfs/dbraw/zinc/06/67/01/1425066701.db2.gz ALVIEWYOOGCMHN-JXFKEZNVSA-N 0 1 390.553 3.082 20 0 GGADMN Cn1ccnc1[C@H](O)C1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000180163233 1429774308 /nfs/dbraw/zinc/77/43/08/1429774308.db2.gz WKYAOFFVCLAUCS-LJQANCHMSA-N 0 1 385.508 3.321 20 0 GGADMN COc1ccc([C@H](C)NC2CN(C(=O)OC(C)(C)C)C2)cc1Cn1cccn1 ZINC000164040528 1425071615 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GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000737653220 1425089417 /nfs/dbraw/zinc/08/94/17/1425089417.db2.gz ZHVFQAHJLOCYBN-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000737653220 1425089425 /nfs/dbraw/zinc/08/94/25/1425089425.db2.gz ZHVFQAHJLOCYBN-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN Cc1c(NC(=O)NCC2(CN3CCOCC3)CCCCC2)cccc1N(C)C ZINC000180166357 1429776714 /nfs/dbraw/zinc/77/67/14/1429776714.db2.gz OREPUEUZOJHPIS-UHFFFAOYSA-N 0 1 388.556 3.465 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c(C)c2)CC1 ZINC000736569811 1425110530 /nfs/dbraw/zinc/11/05/30/1425110530.db2.gz UEAAFMYSEVASNM-QGZVFWFLSA-N 0 1 391.523 3.490 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545623 1425111692 /nfs/dbraw/zinc/11/16/92/1425111692.db2.gz DLGFSODUDZVTCJ-GXTWGEPZSA-N 0 1 390.463 3.056 20 0 GGADMN C[C@H](NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000164442462 1425112219 /nfs/dbraw/zinc/11/22/19/1425112219.db2.gz LATRDKQVAWFMER-NHYWBVRUSA-N 0 1 390.369 3.368 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823675740 1425115865 /nfs/dbraw/zinc/11/58/65/1425115865.db2.gz ZCDKYYCSJFPYOY-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823675740 1425115870 /nfs/dbraw/zinc/11/58/70/1425115870.db2.gz ZCDKYYCSJFPYOY-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823675740 1425115875 /nfs/dbraw/zinc/11/58/75/1425115875.db2.gz ZCDKYYCSJFPYOY-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1)CC1CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964745 1425120688 /nfs/dbraw/zinc/12/06/88/1425120688.db2.gz OFKPAZKEKQMECU-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN O=C(CC[N@@H+](Cc1ccc(F)cc1)CC1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964745 1425120701 /nfs/dbraw/zinc/12/07/01/1425120701.db2.gz OFKPAZKEKQMECU-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1)CC1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964745 1425120711 /nfs/dbraw/zinc/12/07/11/1425120711.db2.gz OFKPAZKEKQMECU-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN COc1cccc2c1OC[C@@H](N[C@H](C)c1nnn(-c3ccc(F)cc3)c1C)C2 ZINC000164545270 1425121705 /nfs/dbraw/zinc/12/17/05/1425121705.db2.gz XMVKMEVOAGGKLW-DYVFJYSZSA-N 0 1 382.439 3.378 20 0 GGADMN CC(C)[NH+](CCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C)C ZINC000820117293 1425122356 /nfs/dbraw/zinc/12/23/56/1425122356.db2.gz ZNUUANKCXFFWRI-UHFFFAOYSA-N 0 1 390.536 3.054 20 0 GGADMN Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c(C)c1 ZINC000164551151 1425122698 /nfs/dbraw/zinc/12/26/98/1425122698.db2.gz XKYKVGZFUFLIRQ-UHFFFAOYSA-N 0 1 394.519 3.249 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000164569126 1425124658 /nfs/dbraw/zinc/12/46/58/1425124658.db2.gz IKCFBLNOJWIYBB-SFHVURJKSA-N 0 1 399.495 3.094 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)c[nH]c12 ZINC000164572882 1425125568 /nfs/dbraw/zinc/12/55/68/1425125568.db2.gz ZMTNQZKEQNIJMN-KRWDZBQOSA-N 0 1 384.476 3.439 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000824899664 1425128283 /nfs/dbraw/zinc/12/82/83/1425128283.db2.gz MRXQSTSGXIGDAZ-ACJLOTCBSA-N 0 1 377.427 3.237 20 0 GGADMN CCOCCCCNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164623722 1425130391 /nfs/dbraw/zinc/13/03/91/1425130391.db2.gz XIWQMYMLZGLPCB-AWEZNQCLSA-N 0 1 385.390 3.029 20 0 GGADMN O=C(NCCOC1CCCC1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164624356 1425130946 /nfs/dbraw/zinc/13/09/46/1425130946.db2.gz OTIIYUDLSBDCDV-OAHLLOKOSA-N 0 1 397.401 3.171 20 0 GGADMN O=C(NCc1cccc(O)c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164626565 1425131004 /nfs/dbraw/zinc/13/10/04/1425131004.db2.gz IKSXWCWTVCDPJR-HNNXBMFYSA-N 0 1 391.353 3.118 20 0 GGADMN CC(C)n1nccc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000164739711 1425139027 /nfs/dbraw/zinc/13/90/27/1425139027.db2.gz XCZBGBWVHBGMPS-UHFFFAOYSA-N 0 1 389.931 3.060 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c(C)o1 ZINC000164760624 1425141074 /nfs/dbraw/zinc/14/10/74/1425141074.db2.gz ANIYYGPWYFYZAB-UHFFFAOYSA-N 0 1 395.824 3.015 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)[NH2+][C@@H](C)c1ccccc1 ZINC000820054592 1425144571 /nfs/dbraw/zinc/14/45/71/1425144571.db2.gz BZJUWIYFYGFMQD-YOEHRIQHSA-N 0 1 398.536 3.424 20 0 GGADMN CCC[C@@H](C)N(C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000164818546 1425144639 /nfs/dbraw/zinc/14/46/39/1425144639.db2.gz QYCHSVNRBSOLSU-CQSZACIVSA-N 0 1 391.537 3.045 20 0 GGADMN CC(C)(C)OC(=O)[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 ZINC000164822677 1425144698 /nfs/dbraw/zinc/14/46/98/1425144698.db2.gz PXJWVJBAICBBIG-KRWDZBQOSA-N 0 1 397.443 3.467 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](C(=O)N2CCOCC2)C(C)C)cnn1-c1cc(C)ccc1C ZINC000164849868 1425146859 /nfs/dbraw/zinc/14/68/59/1425146859.db2.gz NBFJHPFWWKRFNC-XMSQKQJNSA-N 0 1 398.551 3.332 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCc1ccccc1Br ZINC000822744043 1425149701 /nfs/dbraw/zinc/14/97/01/1425149701.db2.gz KPDLSHRZFOELDN-UHFFFAOYSA-N 0 1 376.233 3.101 20 0 GGADMN CCc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cnn1CC(C)C ZINC000164982351 1425154394 /nfs/dbraw/zinc/15/43/94/1425154394.db2.gz UMQJAXWWMZBYSV-UHFFFAOYSA-N 0 1 383.540 3.414 20 0 GGADMN CC[C@@H](N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)N1CCOCC1 ZINC000165027780 1425157167 /nfs/dbraw/zinc/15/71/67/1425157167.db2.gz YNPYWLDSTLGCJN-AUUYWEPGSA-N 0 1 390.915 3.122 20 0 GGADMN CC[C@H](N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)N1CCOCC1 ZINC000165027652 1425157266 /nfs/dbraw/zinc/15/72/66/1425157266.db2.gz YNPYWLDSTLGCJN-KUHUBIRLSA-N 0 1 390.915 3.122 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)CCN2C2CC2)c1 ZINC000165049419 1425158407 /nfs/dbraw/zinc/15/84/07/1425158407.db2.gz JZXNRMNDUBJUBJ-VAMGGRTRSA-N 0 1 389.540 3.069 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264292 1425159762 /nfs/dbraw/zinc/15/97/62/1425159762.db2.gz IZRJTSZXDVZLMS-QGZVFWFLSA-N 0 1 390.491 3.302 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264292 1425159773 /nfs/dbraw/zinc/15/97/73/1425159773.db2.gz IZRJTSZXDVZLMS-QGZVFWFLSA-N 0 1 390.491 3.302 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)C2)c1 ZINC000826264292 1425159784 /nfs/dbraw/zinc/15/97/84/1425159784.db2.gz IZRJTSZXDVZLMS-QGZVFWFLSA-N 0 1 390.491 3.302 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@@H+]1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375851 1425166160 /nfs/dbraw/zinc/16/61/60/1425166160.db2.gz DXHXMXJYFBAKMA-WOJBJXKFSA-N 0 1 379.439 3.457 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@H+]1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375851 1425166163 /nfs/dbraw/zinc/16/61/63/1425166163.db2.gz DXHXMXJYFBAKMA-WOJBJXKFSA-N 0 1 379.439 3.457 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(-c2nnn[n-]2)c1C ZINC000822557526 1425167370 /nfs/dbraw/zinc/16/73/70/1425167370.db2.gz IUAQRHQBIHNNHI-HNNXBMFYSA-N 0 1 398.492 3.026 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(-c2nnn[n-]2)c1C ZINC000822557526 1425167373 /nfs/dbraw/zinc/16/73/73/1425167373.db2.gz IUAQRHQBIHNNHI-HNNXBMFYSA-N 0 1 398.492 3.026 20 0 GGADMN C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000165359046 1425176663 /nfs/dbraw/zinc/17/66/63/1425176663.db2.gz ZEFIYTIZWUWBGW-QGZVFWFLSA-N 0 1 377.492 3.371 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc3oc(N(C)C)nc3c2)N(C)C)c1 ZINC000165472123 1425180495 /nfs/dbraw/zinc/18/04/95/1425180495.db2.gz ZYZVAKBTNBPXAK-GOSISDBHSA-N 0 1 397.479 3.327 20 0 GGADMN Cn1ncc2c1CCC[C@H]2NCc1ccc(OCCOc2ccccc2)nc1 ZINC000165555397 1425184822 /nfs/dbraw/zinc/18/48/22/1425184822.db2.gz GTGLIZCOHSFLGJ-HXUWFJFHSA-N 0 1 378.476 3.440 20 0 GGADMN C[C@@H]1C[C@@H]1[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824898646 1425185516 /nfs/dbraw/zinc/18/55/16/1425185516.db2.gz GMZMDIZTDWKLTI-JZDMUPLMSA-N 0 1 396.882 3.033 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545845 1425185636 /nfs/dbraw/zinc/18/56/36/1425185636.db2.gz DWJZGTZMRZRLGJ-YJBOKZPZSA-N 0 1 380.471 3.321 20 0 GGADMN CCOc1ccc(NC(=O)CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000165576498 1425186270 /nfs/dbraw/zinc/18/62/70/1425186270.db2.gz HNRKVWRDAAJSMP-UHFFFAOYSA-N 0 1 381.520 3.274 20 0 GGADMN C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cnccn1 ZINC000165587654 1425187953 /nfs/dbraw/zinc/18/79/53/1425187953.db2.gz VPPWYLUPIAYCAD-AWEZNQCLSA-N 0 1 379.430 3.098 20 0 GGADMN c1ccc(OCCC[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000738436018 1425193277 /nfs/dbraw/zinc/19/32/77/1425193277.db2.gz MHOFKGFUOMJYHM-UHFFFAOYSA-N 0 1 379.464 3.179 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)ccc2o1 ZINC000165768598 1425195373 /nfs/dbraw/zinc/19/53/73/1425195373.db2.gz VWNPFBLUHNOVAO-KRWDZBQOSA-N 0 1 385.443 3.457 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC[C@H](c3ccc(F)cc3)N(C)C)ccc2o1 ZINC000165768708 1425195488 /nfs/dbraw/zinc/19/54/88/1425195488.db2.gz VWNPFBLUHNOVAO-QGZVFWFLSA-N 0 1 385.443 3.457 20 0 GGADMN COc1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000821814039 1425196457 /nfs/dbraw/zinc/19/64/57/1425196457.db2.gz SKVLPHWLERHAEI-UHFFFAOYSA-N 0 1 387.871 3.478 20 0 GGADMN Cc1ccnc(N2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)c1 ZINC000165974616 1425203834 /nfs/dbraw/zinc/20/38/34/1425203834.db2.gz QGQSQPMSUGPTQT-UHFFFAOYSA-N 0 1 376.863 3.333 20 0 GGADMN FC(F)(F)COCCCN1CCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000165973194 1425203852 /nfs/dbraw/zinc/20/38/52/1425203852.db2.gz VKZMOHQSLBMYIR-UHFFFAOYSA-N 0 1 394.441 3.158 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CCN1CCN(c2cc(C)ccn2)CC1 ZINC000166041089 1425205584 /nfs/dbraw/zinc/20/55/84/1425205584.db2.gz URXMOYVCGGKVAK-UHFFFAOYSA-N 0 1 388.899 3.203 20 0 GGADMN CN(CC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1)[C@H]1CCSC1 ZINC000166185582 1425208822 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Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000822218188 1425222067 /nfs/dbraw/zinc/22/20/67/1425222067.db2.gz ZHODSTBPIDOIOP-UHFFFAOYSA-N 0 1 383.500 3.094 20 0 GGADMN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1NCCc2ccccc21 ZINC000167609901 1425229159 /nfs/dbraw/zinc/22/91/59/1425229159.db2.gz YSBRAXXOVOWPSN-OAHLLOKOSA-N 0 1 383.345 3.186 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000826167795 1425229456 /nfs/dbraw/zinc/22/94/56/1425229456.db2.gz RFJYYBJIPHRYIN-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000826167795 1425229461 /nfs/dbraw/zinc/22/94/61/1425229461.db2.gz RFJYYBJIPHRYIN-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000167822361 1425231795 /nfs/dbraw/zinc/23/17/95/1425231795.db2.gz YKYIMQGRIVFILQ-MOPGFXCFSA-N 0 1 394.581 3.176 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000168154284 1425235909 /nfs/dbraw/zinc/23/59/09/1425235909.db2.gz MUYNFOOCBILKMU-NSHDSACASA-N 0 1 388.411 3.186 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168670695 1425239488 /nfs/dbraw/zinc/23/94/88/1425239488.db2.gz MNSABALMFMSOPA-KRWDZBQOSA-N 0 1 393.409 3.489 20 0 GGADMN COc1cc(Br)cc(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000169043101 1425242804 /nfs/dbraw/zinc/24/28/04/1425242804.db2.gz NQOBNZKBEPZZEQ-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000169249138 1425244313 /nfs/dbraw/zinc/24/43/13/1425244313.db2.gz HYYSGIPDXAABSC-FQEVSTJZSA-N 0 1 386.927 3.500 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736287478 1425247871 /nfs/dbraw/zinc/24/78/71/1425247871.db2.gz PMMBZKQUEYQNPE-GDBMZVCRSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736287478 1425247873 /nfs/dbraw/zinc/24/78/73/1425247873.db2.gz PMMBZKQUEYQNPE-GDBMZVCRSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736287478 1425247875 /nfs/dbraw/zinc/24/78/75/1425247875.db2.gz PMMBZKQUEYQNPE-GDBMZVCRSA-N 0 1 396.520 3.382 20 0 GGADMN Cc1c(Cl)cnc(NC2CC[NH+](CCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826238269 1425254942 /nfs/dbraw/zinc/25/49/42/1425254942.db2.gz BJJXGFZQEBKWEF-UHFFFAOYSA-N 0 1 397.914 3.343 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCOc2ccccc2Cl)c1 ZINC000170560339 1425265011 /nfs/dbraw/zinc/26/50/11/1425265011.db2.gz OUNQVFFYHQXJDS-UHFFFAOYSA-N 0 1 383.853 3.247 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)N2CCCC2)o1 ZINC000170633661 1425267965 /nfs/dbraw/zinc/26/79/65/1425267965.db2.gz WQIYUBSEAIBZEM-HZPDHXFCSA-N 0 1 387.446 3.115 20 0 GGADMN CCC[C@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170648142 1425275229 /nfs/dbraw/zinc/27/52/29/1425275229.db2.gz JCNIGUVUTUCZPR-MJGOQNOKSA-N 0 1 389.540 3.491 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648063 1425275357 /nfs/dbraw/zinc/27/53/57/1425275357.db2.gz OCGMFINAIHMSDW-QGZVFWFLSA-N 0 1 393.503 3.021 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647838 1425275406 /nfs/dbraw/zinc/27/54/06/1425275406.db2.gz HCBBEJNEUKVVKH-JKSUJKDBSA-N 0 1 393.503 3.192 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000170648061 1425275424 /nfs/dbraw/zinc/27/54/24/1425275424.db2.gz YFZCVLOHNIQIGH-KSZLIROESA-N 0 1 379.545 3.014 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC000170648177 1425276448 /nfs/dbraw/zinc/27/64/48/1425276448.db2.gz GLXDUBKSGKAGFW-HUUCEWRRSA-N 0 1 395.931 3.364 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736286961 1425278113 /nfs/dbraw/zinc/27/81/13/1425278113.db2.gz CLIPJPQOXWBKBI-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN COc1ccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(OC)c1 ZINC000826192231 1425288222 /nfs/dbraw/zinc/28/82/22/1425288222.db2.gz FICPMXCHLGGMNL-LJQANCHMSA-N 0 1 379.464 3.094 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170680460 1425294604 /nfs/dbraw/zinc/29/46/04/1425294604.db2.gz HEMVMLTZZFVUCQ-FCHUYYIVSA-N 0 1 379.504 3.264 20 0 GGADMN O=C(CCC1CCCC1)NCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000170682018 1425295353 /nfs/dbraw/zinc/29/53/53/1425295353.db2.gz DVWOYQHUBXIIKQ-GOSISDBHSA-N 0 1 384.480 3.440 20 0 GGADMN CC[N@@H+](CCc1cccs1)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736541124 1425295407 /nfs/dbraw/zinc/29/54/07/1425295407.db2.gz CWPSLKPUFJRTSV-UHFFFAOYSA-N 0 1 394.508 3.017 20 0 GGADMN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)NC1CCN(Cc2ccncc2)CC1 ZINC000170684432 1425297162 /nfs/dbraw/zinc/29/71/62/1425297162.db2.gz HFAMHYYXRMXZCZ-YADHBBJMSA-N 0 1 394.519 3.266 20 0 GGADMN O[C@@H](c1ccccc1)C1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823699953 1425300508 /nfs/dbraw/zinc/30/05/08/1425300508.db2.gz YOKTXUFGXJLANO-NRFANRHFSA-N 0 1 393.491 3.081 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000170689037 1425301068 /nfs/dbraw/zinc/30/10/68/1425301068.db2.gz DEKDDUHUNRTVEL-UHFFFAOYSA-N 0 1 386.839 3.292 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000170689808 1425301797 /nfs/dbraw/zinc/30/17/97/1425301797.db2.gz GNGYHJYWLSIFSM-INIZCTEOSA-N 0 1 382.489 3.280 20 0 GGADMN COc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OC ZINC000170698167 1425305232 /nfs/dbraw/zinc/30/52/32/1425305232.db2.gz ZELYCWCHGVCVHP-UHFFFAOYSA-N 0 1 384.480 3.408 20 0 GGADMN O[C@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)c1cc2ccccc2s1 ZINC000823689317 1425312090 /nfs/dbraw/zinc/31/20/90/1425312090.db2.gz DPKLYBVNVPVGCB-MRXNPFEDSA-N 0 1 388.456 3.197 20 0 GGADMN CN(C)[C@@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1cccs1 ZINC000170710725 1425312236 /nfs/dbraw/zinc/31/22/36/1425312236.db2.gz HYDJWFIPZNKICF-AWEZNQCLSA-N 0 1 381.542 3.305 20 0 GGADMN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000170712289 1425312949 /nfs/dbraw/zinc/31/29/49/1425312949.db2.gz LDEGLPMKVNMZHZ-SFHVURJKSA-N 0 1 375.513 3.024 20 0 GGADMN Cc1nc2n(n1)C[C@@H](NCc1c(C)nn(-c3cccc(Cl)c3)c1Cl)CC2 ZINC000170715732 1425314199 /nfs/dbraw/zinc/31/41/99/1425314199.db2.gz IKLVYWVNWACMJC-AWEZNQCLSA-N 0 1 391.306 3.492 20 0 GGADMN Cc1nc2n(n1)C[C@@H](NCc1c(C)nn(Cc3ccc(F)cc3)c1Cl)CC2 ZINC000170715740 1425314550 /nfs/dbraw/zinc/31/45/50/1425314550.db2.gz RGXVXUUCTFPLEN-INIZCTEOSA-N 0 1 388.878 3.037 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000170724131 1425317602 /nfs/dbraw/zinc/31/76/02/1425317602.db2.gz HUCGRYZJWVBIRH-PBHICJAKSA-N 0 1 387.484 3.214 20 0 GGADMN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000170730793 1425321704 /nfs/dbraw/zinc/32/17/04/1425321704.db2.gz ATPNRQFHTVDACE-JKSUJKDBSA-N 0 1 379.501 3.144 20 0 GGADMN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000170737642 1425323338 /nfs/dbraw/zinc/32/33/38/1425323338.db2.gz XEJYKAQDZFDJCO-RBUKOAKNSA-N 0 1 393.531 3.258 20 0 GGADMN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000170751879 1425327641 /nfs/dbraw/zinc/32/76/41/1425327641.db2.gz XEDQKAZFALWNEN-UYAOXDASSA-N 0 1 395.503 3.297 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC[C@@H]1c1cccn1C ZINC000170751840 1425327759 /nfs/dbraw/zinc/32/77/59/1425327759.db2.gz YFRKKNQLWFJIJA-GOSISDBHSA-N 0 1 377.435 3.422 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC[C@H]1c1cccn1C ZINC000170751839 1425327965 /nfs/dbraw/zinc/32/79/65/1425327965.db2.gz YFRKKNQLWFJIJA-SFHVURJKSA-N 0 1 377.435 3.422 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000170777094 1425338351 /nfs/dbraw/zinc/33/83/51/1425338351.db2.gz JTGIRUORWDKOGF-QFBILLFUSA-N 0 1 389.540 3.270 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)o1 ZINC000170779914 1425340454 /nfs/dbraw/zinc/34/04/54/1425340454.db2.gz BKFAEBMBNMJVFA-INIZCTEOSA-N 0 1 385.464 3.408 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000825435430 1425341290 /nfs/dbraw/zinc/34/12/90/1425341290.db2.gz XTNMIODZTGUEBY-ZDUSSCGKSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000825435430 1425341293 /nfs/dbraw/zinc/34/12/93/1425341293.db2.gz XTNMIODZTGUEBY-ZDUSSCGKSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000825435430 1425341295 /nfs/dbraw/zinc/34/12/95/1425341295.db2.gz XTNMIODZTGUEBY-ZDUSSCGKSA-N 0 1 383.427 3.376 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3C[C@H](C)O[C@H](C(F)(F)F)C3)c2c1 ZINC000822195589 1425342415 /nfs/dbraw/zinc/34/24/15/1425342415.db2.gz XMSTVJFURVCIBZ-FZMZJTMJSA-N 0 1 392.385 3.188 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC[C@](O)(c1ccccc1)C(F)(F)F ZINC000170790979 1425344051 /nfs/dbraw/zinc/34/40/51/1425344051.db2.gz ZNHXGKATLHLNDO-SFHVURJKSA-N 0 1 385.382 3.252 20 0 GGADMN O[C@](CNCc1cnn(Cc2ccccc2)c1)(c1ccccc1)C(F)(F)F ZINC000170790819 1425344321 /nfs/dbraw/zinc/34/43/21/1425344321.db2.gz DVTYXCPRGYIMFL-LJQANCHMSA-N 0 1 375.394 3.471 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCC(Oc2ccccc2)CC1 ZINC000170802240 1425349346 /nfs/dbraw/zinc/34/93/46/1425349346.db2.gz GHMRXOASRKKQDM-HSZRJFAPSA-N 0 1 394.515 3.254 20 0 GGADMN COc1ccc(C2CC[NH+](Cc3ccc(OC)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826191117 1425352603 /nfs/dbraw/zinc/35/26/03/1425352603.db2.gz XNVJDFFZDICJIO-UHFFFAOYSA-N 0 1 379.464 3.264 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3cscn3)c2C1 ZINC000170820603 1425354219 /nfs/dbraw/zinc/35/42/19/1425354219.db2.gz QECNPDKYOOBJIE-AWEZNQCLSA-N 0 1 386.521 3.100 20 0 GGADMN C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736140520 1425357168 /nfs/dbraw/zinc/35/71/68/1425357168.db2.gz XDXPSDVWKDUPDT-IFXJQAMLSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736140520 1425357188 /nfs/dbraw/zinc/35/71/88/1425357188.db2.gz XDXPSDVWKDUPDT-IFXJQAMLSA-N 0 1 398.898 3.222 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(Cc2ccncc2)cc1 ZINC000170826165 1425357335 /nfs/dbraw/zinc/35/73/35/1425357335.db2.gz OATCFGDGVKRYEX-UHFFFAOYSA-N 0 1 399.454 3.307 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000170830372 1425358954 /nfs/dbraw/zinc/35/89/54/1425358954.db2.gz KQHPFVJPESLNRS-UHFFFAOYSA-N 0 1 395.360 3.424 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826349294 1425362215 /nfs/dbraw/zinc/36/22/15/1425362215.db2.gz CQUGSLZMDPUCGM-VIFPVBQESA-N 0 1 392.435 3.113 20 0 GGADMN CN(C)C(=O)c1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000170843340 1425365727 /nfs/dbraw/zinc/36/57/27/1425365727.db2.gz GTSHQYQSMOHPOW-GOSISDBHSA-N 0 1 378.432 3.369 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C2CCC2)N(C)C)cc1OC ZINC000170862439 1425372733 /nfs/dbraw/zinc/37/27/33/1425372733.db2.gz PURWJCWTLQAJDD-ZWKOTPCHSA-N 0 1 375.513 3.281 20 0 GGADMN c1ccc(C[NH+]2CCCC2)c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000738433644 1425375644 /nfs/dbraw/zinc/37/56/44/1425375644.db2.gz VMNNDUNJAMLXDG-UHFFFAOYSA-N 0 1 385.475 3.045 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000170875320 1425376753 /nfs/dbraw/zinc/37/67/53/1425376753.db2.gz ANQQKOHERUDSRD-QGZVFWFLSA-N 0 1 375.444 3.106 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1F ZINC000170876031 1425377481 /nfs/dbraw/zinc/37/74/81/1425377481.db2.gz GXKDGSXOJRVPMA-SFHVURJKSA-N 0 1 389.471 3.415 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000170894912 1425383109 /nfs/dbraw/zinc/38/31/09/1425383109.db2.gz HHEHYLVBSRINLK-PKOBYXMFSA-N 0 1 380.410 3.246 20 0 GGADMN CCN(C)[C@H](C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000170894912 1425383115 /nfs/dbraw/zinc/38/31/15/1425383115.db2.gz HHEHYLVBSRINLK-PKOBYXMFSA-N 0 1 380.410 3.246 20 0 GGADMN C[C@@H]1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)CCS1 ZINC000170901596 1425385606 /nfs/dbraw/zinc/38/56/06/1425385606.db2.gz OPANTGLOKUWEFV-CQSZACIVSA-N 0 1 391.562 3.210 20 0 GGADMN CC1(C)CN(C(=O)C[C@H]2c3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC000170902115 1425386001 /nfs/dbraw/zinc/38/60/01/1425386001.db2.gz UXEKSTDHLXURRD-IBGZPJMESA-N 0 1 377.488 3.235 20 0 GGADMN CN(C[C@@H]1CCN(Cn2cnc3cc(F)c(F)cc32)C1)C(=O)OC(C)(C)C ZINC000170903342 1425386499 /nfs/dbraw/zinc/38/64/99/1425386499.db2.gz UEKRFPCBYCFLFE-ZDUSSCGKSA-N 0 1 380.439 3.461 20 0 GGADMN CC[C@@H]1C[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820995763 1425389250 /nfs/dbraw/zinc/38/92/50/1425389250.db2.gz XIDPZDPUPNBEBE-GDBMZVCRSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1F)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170917878 1425389644 /nfs/dbraw/zinc/38/96/44/1425389644.db2.gz YNDIVMLGSKBETN-HZPDHXFCSA-N 0 1 393.503 3.019 20 0 GGADMN CN(C[C@@H]1CCN(CC(=O)NCc2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C ZINC000170918644 1425390923 /nfs/dbraw/zinc/39/09/23/1425390923.db2.gz IYEXGLHFUNZJHT-INIZCTEOSA-N 0 1 395.931 3.145 20 0 GGADMN CN(C[C@H]1CCN(CC(=O)NCCC2=CCCCC2)C1)C(=O)OC(C)(C)C ZINC000170918409 1425391463 /nfs/dbraw/zinc/39/14/63/1425391463.db2.gz ABEXDQMZBYIRGM-GOSISDBHSA-N 0 1 379.545 3.182 20 0 GGADMN CN(C[C@H]1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000170918361 1425391652 /nfs/dbraw/zinc/39/16/52/1425391652.db2.gz XAVYRWVGIVKOID-APWZRJJASA-N 0 1 387.524 3.195 20 0 GGADMN COC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cn1 ZINC000170921756 1425394679 /nfs/dbraw/zinc/39/46/79/1425394679.db2.gz HQQMDQWYJFCJDJ-HXUWFJFHSA-N 0 1 386.411 3.264 20 0 GGADMN C[C@@H](CCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)NC(=O)OC(C)(C)C ZINC000170925432 1425396108 /nfs/dbraw/zinc/39/61/08/1425396108.db2.gz LNXJAZBVJWNJKH-YOEHRIQHSA-N 0 1 396.507 3.031 20 0 GGADMN Cc1ccccc1C1CCN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000170953669 1425414191 /nfs/dbraw/zinc/41/41/91/1425414191.db2.gz XMJOMNBAHDHJME-UHFFFAOYSA-N 0 1 399.579 3.280 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000819940059 1425415018 /nfs/dbraw/zinc/41/50/18/1425415018.db2.gz OKRIXSLRJSNJGM-SWLSCSKDSA-N 0 1 392.529 3.101 20 0 GGADMN CCOc1cccc(CNC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000170971558 1425421724 /nfs/dbraw/zinc/42/17/24/1425421724.db2.gz VDBYHVYHCFNSSV-UHFFFAOYSA-N 0 1 386.467 3.136 20 0 GGADMN Cc1nnc(NCc2ccccc2C[NH+]2CCCCCC2)c(-c2nn[n-]n2)c1C ZINC000737534069 1425424490 /nfs/dbraw/zinc/42/44/90/1425424490.db2.gz SEBQIRLWPRJLIU-UHFFFAOYSA-N 0 1 392.511 3.262 20 0 GGADMN C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccnc1 ZINC000171004551 1425432101 /nfs/dbraw/zinc/43/21/01/1425432101.db2.gz QDJVIYZMMYNMJV-HZPDHXFCSA-N 0 1 385.487 3.094 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccnc1 ZINC000171004547 1425432293 /nfs/dbraw/zinc/43/22/93/1425432293.db2.gz QDJVIYZMMYNMJV-CVEARBPZSA-N 0 1 385.487 3.094 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCCN(Cc2cscn2)CC1 ZINC000171022227 1425441974 /nfs/dbraw/zinc/44/19/74/1425441974.db2.gz JQIYIDFPAKTDKK-UHFFFAOYSA-N 0 1 385.468 3.020 20 0 GGADMN COc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000821818077 1425443248 /nfs/dbraw/zinc/44/32/48/1425443248.db2.gz KDKBOUBZQLJVOY-UHFFFAOYSA-N 0 1 378.461 3.289 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000171030364 1425447398 /nfs/dbraw/zinc/44/73/98/1425447398.db2.gz LZQDQJGNKVYWII-QFIPXVFZSA-N 0 1 393.531 3.052 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853661 1425447691 /nfs/dbraw/zinc/44/76/91/1425447691.db2.gz YCEJCCRZFNWQOB-UXHICEINSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853661 1425447694 /nfs/dbraw/zinc/44/76/94/1425447694.db2.gz YCEJCCRZFNWQOB-UXHICEINSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853661 1425447696 /nfs/dbraw/zinc/44/76/96/1425447696.db2.gz YCEJCCRZFNWQOB-UXHICEINSA-N 0 1 391.475 3.178 20 0 GGADMN O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171043116 1425451807 /nfs/dbraw/zinc/45/18/07/1425451807.db2.gz GCORIQTYWLWPPF-CQSZACIVSA-N 0 1 391.566 3.146 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000171052306 1425455987 /nfs/dbraw/zinc/45/59/87/1425455987.db2.gz AWMKMACRSSHFIM-UHFFFAOYSA-N 0 1 393.531 3.467 20 0 GGADMN Cc1ccccc1C1(CNC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000171064741 1425464191 /nfs/dbraw/zinc/46/41/91/1425464191.db2.gz NUYDUHBLTXMPTG-UHFFFAOYSA-N 0 1 378.520 3.385 20 0 GGADMN C[C@@H]1Oc2ccc(C(=O)C3CCN(C[C@H](O)c4ccccc4)CC3)cc2NC1=O ZINC000171066021 1425464500 /nfs/dbraw/zinc/46/45/00/1425464500.db2.gz XQZRENLGSRQCJV-YWZLYKJASA-N 0 1 394.471 3.034 20 0 GGADMN C[C@H]1Oc2ccc(C(=O)C3CCN(C[C@H](O)c4ccccc4)CC3)cc2NC1=O ZINC000171066014 1425464536 /nfs/dbraw/zinc/46/45/36/1425464536.db2.gz XQZRENLGSRQCJV-QRWLVFNGSA-N 0 1 394.471 3.034 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000171080347 1425472546 /nfs/dbraw/zinc/47/25/46/1425472546.db2.gz JUQOVUIFUYPKTF-IBGZPJMESA-N 0 1 383.471 3.237 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1CCc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964618 1425472762 /nfs/dbraw/zinc/47/27/62/1425472762.db2.gz MBGWWQXGGWRHQN-HXUWFJFHSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1CCc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964618 1425472763 /nfs/dbraw/zinc/47/27/63/1425472763.db2.gz MBGWWQXGGWRHQN-HXUWFJFHSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1CCc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964618 1425472769 /nfs/dbraw/zinc/47/27/69/1425472769.db2.gz MBGWWQXGGWRHQN-HXUWFJFHSA-N 0 1 390.491 3.293 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)cc2)CC1 ZINC000171092104 1425478224 /nfs/dbraw/zinc/47/82/24/1425478224.db2.gz KIRXCXXSKLZZPG-PKTZIBPZSA-N 0 1 393.531 3.084 20 0 GGADMN C[C@@H](NC(=O)c1csc(C2CC2)n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171090924 1425478349 /nfs/dbraw/zinc/47/83/49/1425478349.db2.gz ZRBPUAADQHBGPR-CYBMUJFWSA-N 0 1 388.512 3.402 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000171097739 1425481554 /nfs/dbraw/zinc/48/15/54/1425481554.db2.gz XHQSKASDFKUOQH-TZIWHRDSSA-N 0 1 387.568 3.171 20 0 GGADMN Cc1[nH]c2ccccc2c1CCNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171101590 1425483391 /nfs/dbraw/zinc/48/33/91/1425483391.db2.gz VSLZVQDVXVNSHO-UHFFFAOYSA-N 0 1 391.519 3.378 20 0 GGADMN Cc1[nH]c2ccccc2c1CCNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000171101563 1425483481 /nfs/dbraw/zinc/48/34/81/1425483481.db2.gz KHMPIZFWNHEZPQ-UHFFFAOYSA-N 0 1 391.519 3.378 20 0 GGADMN CN(C)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000171101892 1425483496 /nfs/dbraw/zinc/48/34/96/1425483496.db2.gz DFMXLIXABHJNOH-FQEVSTJZSA-N 0 1 383.467 3.306 20 0 GGADMN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171108605 1425488077 /nfs/dbraw/zinc/48/80/77/1425488077.db2.gz HVZYTWSYBFIGPZ-LIRRHRJNSA-N 0 1 378.476 3.319 20 0 GGADMN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171108611 1425488112 /nfs/dbraw/zinc/48/81/12/1425488112.db2.gz HVZYTWSYBFIGPZ-IFXJQAMLSA-N 0 1 378.476 3.319 20 0 GGADMN C[C@H](C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)N1CCN(C)CC1 ZINC000171113654 1425489717 /nfs/dbraw/zinc/48/97/17/1425489717.db2.gz KHWDTKIQBMLVCD-CYBMUJFWSA-N 0 1 399.445 3.083 20 0 GGADMN C[NH+](C)[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)c1ccccc1 ZINC000736760107 1425490979 /nfs/dbraw/zinc/49/09/79/1425490979.db2.gz PGUADJZFRYVZPF-QGZVFWFLSA-N 0 1 395.417 3.408 20 0 GGADMN COc1ccc(-c2nc(CN3CCC[C@@H](C4OCCO4)C3)cs2)cc1OC ZINC000171139948 1425503362 /nfs/dbraw/zinc/50/33/62/1425503362.db2.gz MOOWYTULAMOAKR-OAHLLOKOSA-N 0 1 390.505 3.412 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC[C@@H](C2OCCO2)C1 ZINC000171140820 1425503540 /nfs/dbraw/zinc/50/35/40/1425503540.db2.gz ULAANMIIKPQQKA-QGZVFWFLSA-N 0 1 375.900 3.478 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC[C@H](C2OCCO2)C1 ZINC000171140813 1425503861 /nfs/dbraw/zinc/50/38/61/1425503861.db2.gz ULAANMIIKPQQKA-KRWDZBQOSA-N 0 1 375.900 3.478 20 0 GGADMN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](C4OCCO4)C3)cs2)cc1 ZINC000171140899 1425504625 /nfs/dbraw/zinc/50/46/25/1425504625.db2.gz AGIVGKPEQMYGAE-MRXNPFEDSA-N 0 1 388.489 3.182 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](C3OCCO3)C2)ccc1Br ZINC000171143011 1425505319 /nfs/dbraw/zinc/50/53/19/1425505319.db2.gz PNPHIEFUWLXOJM-KBPBESRZSA-N 0 1 397.313 3.169 20 0 GGADMN CCCCCOc1ccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1 ZINC000171156674 1425514569 /nfs/dbraw/zinc/51/45/69/1425514569.db2.gz GZZGFVOYTLTOLI-INIZCTEOSA-N 0 1 393.509 3.289 20 0 GGADMN CC[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1OC ZINC000736372311 1425520752 /nfs/dbraw/zinc/52/07/52/1425520752.db2.gz WRNDDFCUIBDUSU-CQSZACIVSA-N 0 1 386.481 3.006 20 0 GGADMN C[C@H](NC(=O)NC[C@H]1Cc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171165576 1425522511 /nfs/dbraw/zinc/52/25/11/1425522511.db2.gz PDTCXOFELFAPCR-FUHWJXTLSA-N 0 1 396.510 3.278 20 0 GGADMN COc1ccccc1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171175413 1425526399 /nfs/dbraw/zinc/52/63/99/1425526399.db2.gz NRKRLFQFCJGQIA-HNNXBMFYSA-N 0 1 386.471 3.469 20 0 GGADMN O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)c1cscn1 ZINC000171174606 1425527055 /nfs/dbraw/zinc/52/70/55/1425527055.db2.gz BEZNPHHRKBSQDB-UHFFFAOYSA-N 0 1 393.516 3.155 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cc(N)nc(Cl)c2)N2CCCCC2)cc1 ZINC000171182428 1425528821 /nfs/dbraw/zinc/52/88/21/1425528821.db2.gz FTMBLCCTJSPWRG-QGZVFWFLSA-N 0 1 388.899 3.283 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc(N)nc(Cl)c2)N2CCCCC2)cc1 ZINC000171182433 1425529188 /nfs/dbraw/zinc/52/91/88/1425529188.db2.gz FTMBLCCTJSPWRG-KRWDZBQOSA-N 0 1 388.899 3.283 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826189999 1425533221 /nfs/dbraw/zinc/53/32/21/1425533221.db2.gz MEBZHVQKXCEJBR-SFHVURJKSA-N 0 1 395.463 3.230 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CNC(=O)c4cccc(F)c4)C3)[nH]c2c1 ZINC000171196811 1425534881 /nfs/dbraw/zinc/53/48/81/1425534881.db2.gz GLFHFINAWDSKSI-MRXNPFEDSA-N 0 1 394.450 3.146 20 0 GGADMN Cc1cccc(C2(C(=O)NCc3cccnc3N3CCN(C)CC3)CCCC2)c1 ZINC000171205470 1425539344 /nfs/dbraw/zinc/53/93/44/1425539344.db2.gz GTEVCKDJEJKPOV-UHFFFAOYSA-N 0 1 392.547 3.270 20 0 GGADMN C[C@@H]1SCC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820819976 1425541673 /nfs/dbraw/zinc/54/16/73/1425541673.db2.gz LSCNEPGYRQBFMY-GDIGMMSISA-N 0 1 381.505 3.079 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)c(C)o1 ZINC000171211514 1425542721 /nfs/dbraw/zinc/54/27/21/1425542721.db2.gz LYDVBCDXJVYZLK-UHFFFAOYSA-N 0 1 376.840 3.290 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)N(C)C)cc1 ZINC000171219504 1425545933 /nfs/dbraw/zinc/54/59/33/1425545933.db2.gz WSJAIKRXOYDMPS-IERDGZPVSA-N 0 1 397.519 3.314 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2COc3ccccc3O2)N2CCCC2)o1 ZINC000171228945 1425552931 /nfs/dbraw/zinc/55/29/31/1425552931.db2.gz AVWOCKFLPAIMNZ-ZWKOTPCHSA-N 0 1 399.491 3.206 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@H](c2cccc(O)c2)C1 ZINC000826304777 1425560786 /nfs/dbraw/zinc/56/07/86/1425560786.db2.gz XTHCWFJCTVCTGS-SFHVURJKSA-N 0 1 388.431 3.007 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCc2nc3ccccc3n2C)N2CCCC2)o1 ZINC000171240386 1425561903 /nfs/dbraw/zinc/56/19/03/1425561903.db2.gz YKRYRCSXBCEEQC-GOSISDBHSA-N 0 1 381.480 3.111 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820722903 1425565125 /nfs/dbraw/zinc/56/51/25/1425565125.db2.gz RELVNLRBDLGYHM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820722903 1425565128 /nfs/dbraw/zinc/56/51/28/1425565128.db2.gz RELVNLRBDLGYHM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820722903 1425565132 /nfs/dbraw/zinc/56/51/32/1425565132.db2.gz RELVNLRBDLGYHM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN CCN(C(=O)C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCCC1 ZINC000825371751 1425568055 /nfs/dbraw/zinc/56/80/55/1425568055.db2.gz KDYXCQNLKNUYIZ-UHFFFAOYSA-N 0 1 394.523 3.137 20 0 GGADMN CCN(C(=O)C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCCCC1 ZINC000825371751 1425568061 /nfs/dbraw/zinc/56/80/61/1425568061.db2.gz KDYXCQNLKNUYIZ-UHFFFAOYSA-N 0 1 394.523 3.137 20 0 GGADMN c1c(C[NH+]2CCC3(CC2)OCc2ccccc23)c(-c2nnn[n-]2)c2ccccn12 ZINC000823802672 1425578427 /nfs/dbraw/zinc/57/84/27/1425578427.db2.gz XGJQCVMWMZLRJD-UHFFFAOYSA-N 0 1 386.459 3.141 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3scnc3c2)N(C)C)cc1 ZINC000171261268 1425579344 /nfs/dbraw/zinc/57/93/44/1425579344.db2.gz YMBLARJEWCNJHE-SFHVURJKSA-N 0 1 396.516 3.216 20 0 GGADMN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000171262601 1425580831 /nfs/dbraw/zinc/58/08/31/1425580831.db2.gz GLXMRBJFYBPLDP-UHFFFAOYSA-N 0 1 390.358 3.347 20 0 GGADMN COC[C@H](C)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000171268117 1425585456 /nfs/dbraw/zinc/58/54/56/1425585456.db2.gz CLWSWJLCMLBIJY-QGZVFWFLSA-N 0 1 390.528 3.295 20 0 GGADMN O=C(Nc1ccc2scnc2c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000171271568 1425587342 /nfs/dbraw/zinc/58/73/42/1425587342.db2.gz BEGSZCKQAURPHQ-KRWDZBQOSA-N 0 1 394.500 3.016 20 0 GGADMN COc1ccc2cc(NC(=O)NC3CCN(Cc4ccccn4)CC3)ccc2n1 ZINC000171278422 1425590269 /nfs/dbraw/zinc/59/02/69/1425590269.db2.gz QVGFBKICDGJUQQ-UHFFFAOYSA-N 0 1 391.475 3.425 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)F)c2)N(C)C)cc1 ZINC000171290826 1425596957 /nfs/dbraw/zinc/59/69/57/1425596957.db2.gz RXGZSDUULYXOOK-QGZVFWFLSA-N 0 1 375.419 3.290 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCCO[C@H](C)C2)N2CCCCC2)cc1 ZINC000171291113 1425597673 /nfs/dbraw/zinc/59/76/73/1425597673.db2.gz IYHABQFBFSTREL-YLJYHZDGSA-N 0 1 375.513 3.043 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)[nH]n1 ZINC000171310885 1425609890 /nfs/dbraw/zinc/60/98/90/1425609890.db2.gz SUQLXRBMVKWASS-UHFFFAOYSA-N 0 1 393.426 3.063 20 0 GGADMN O=C(NCc1cc(-c2ccccc2)on1)NC1CCN(Cc2ccccn2)CC1 ZINC000171328856 1425619867 /nfs/dbraw/zinc/61/98/67/1425619867.db2.gz QFMIUSQUEWYSMC-UHFFFAOYSA-N 0 1 391.475 3.200 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2cc(Br)ccc2OC)c1 ZINC000171338059 1425624976 /nfs/dbraw/zinc/62/49/76/1425624976.db2.gz FNBOVGFAGULVRI-UHFFFAOYSA-N 0 1 386.267 3.405 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000171339837 1425625583 /nfs/dbraw/zinc/62/55/83/1425625583.db2.gz ALRZPLIJONOHTJ-FQEVSTJZSA-N 0 1 397.544 3.441 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000171346820 1425629740 /nfs/dbraw/zinc/62/97/40/1425629740.db2.gz WJPKTSGEDQOUSK-PKOBYXMFSA-N 0 1 389.540 3.270 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CSC[C@H]2CCCCO2)N2CCCC2)c1 ZINC000171352374 1425633190 /nfs/dbraw/zinc/63/31/90/1425633190.db2.gz OMYKKSJGUUORFW-WOJBJXKFSA-N 0 1 392.565 3.251 20 0 GGADMN Cc1ccnc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826313618 1425633984 /nfs/dbraw/zinc/63/39/84/1425633984.db2.gz NOQQGRNISTWONR-WMZOPIPTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccnc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826313618 1425633989 /nfs/dbraw/zinc/63/39/89/1425633989.db2.gz NOQQGRNISTWONR-WMZOPIPTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccnc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826313618 1425633993 /nfs/dbraw/zinc/63/39/93/1425633993.db2.gz NOQQGRNISTWONR-WMZOPIPTSA-N 0 1 377.496 3.283 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824572169 1425634541 /nfs/dbraw/zinc/63/45/41/1425634541.db2.gz TZNKCDGAUPLTMN-ZBEGNZNMSA-N 0 1 388.269 3.013 20 0 GGADMN C/C(=C\C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1Cl ZINC000171361376 1425639920 /nfs/dbraw/zinc/63/99/20/1425639920.db2.gz DNBJLGDCXMBKNS-DTQAZKPQSA-N 0 1 384.911 3.207 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Oc3ccc(O[C@H]4CCCCNC4=O)cc3)[nH]n2)o1 ZINC000171374936 1425647487 /nfs/dbraw/zinc/64/74/87/1425647487.db2.gz OUKGGHRVSRIQDY-IBGZPJMESA-N 0 1 395.415 3.245 20 0 GGADMN C/C(=C\C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1Cl ZINC000171380632 1425650692 /nfs/dbraw/zinc/65/06/92/1425650692.db2.gz XXKNTQLOABZJAZ-DTQAZKPQSA-N 0 1 384.911 3.207 20 0 GGADMN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000171387720 1425655805 /nfs/dbraw/zinc/65/58/05/1425655805.db2.gz RIFLATILHURVCT-OAHLLOKOSA-N 0 1 392.912 3.160 20 0 GGADMN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000171392444 1425658250 /nfs/dbraw/zinc/65/82/50/1425658250.db2.gz JTCFTBFNOIULSS-JTQLQIEISA-N 0 1 377.326 3.292 20 0 GGADMN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000171402292 1425663983 /nfs/dbraw/zinc/66/39/83/1425663983.db2.gz WWFYHEFYSPAQPL-UHFFFAOYSA-N 0 1 380.822 3.391 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cnc(-c4ccccn4)s3)cc2)CC1 ZINC000171403699 1425664908 /nfs/dbraw/zinc/66/49/08/1425664908.db2.gz VKKCAQUVWJDBEP-UHFFFAOYSA-N 0 1 379.489 3.209 20 0 GGADMN CN(C(=O)C(=O)c1ccc(Cl)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000171405974 1425665629 /nfs/dbraw/zinc/66/56/29/1425665629.db2.gz GPJNRZQSFNSUTI-UHFFFAOYSA-N 0 1 385.895 3.083 20 0 GGADMN Cc1nc(C[C@@H]2CCCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)no1 ZINC000171408361 1425667218 /nfs/dbraw/zinc/66/72/18/1425667218.db2.gz IAQCAPSMMJZUPR-SDTWNIOYSA-N 0 1 386.540 3.106 20 0 GGADMN CCCCc1nc2ccc(NC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)cc2[nH]1 ZINC000171440661 1425679830 /nfs/dbraw/zinc/67/98/30/1425679830.db2.gz NANIGQVDBHEGHQ-CYBMUJFWSA-N 0 1 397.479 3.097 20 0 GGADMN CCC(CC)N1C[C@@H](C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1=O ZINC000171475332 1425695672 /nfs/dbraw/zinc/69/56/72/1425695672.db2.gz JMDIQKBMXHQQOK-SCLBCKFNSA-N 0 1 384.480 3.390 20 0 GGADMN CCC(CC)N1C[C@H](C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1=O ZINC000171475329 1425696208 /nfs/dbraw/zinc/69/62/08/1425696208.db2.gz JMDIQKBMXHQQOK-FZKQIMNGSA-N 0 1 384.480 3.390 20 0 GGADMN CCN(C)[C@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000171475591 1425696840 /nfs/dbraw/zinc/69/68/40/1425696840.db2.gz WNUDGHOJQKZVOB-QFIPXVFZSA-N 0 1 381.520 3.175 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000171476852 1425697748 /nfs/dbraw/zinc/69/77/48/1425697748.db2.gz IZSFGHHXHKWHTO-NRFANRHFSA-N 0 1 397.494 3.193 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)ccc1OC(C)C ZINC000171476705 1425697781 /nfs/dbraw/zinc/69/77/81/1425697781.db2.gz TZJDQQOUPNKGGT-UHFFFAOYSA-N 0 1 386.477 3.223 20 0 GGADMN CCN(C)[C@H](C(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccccc1 ZINC000171477607 1425698551 /nfs/dbraw/zinc/69/85/51/1425698551.db2.gz IYRNIFKHCLUSKZ-QFIPXVFZSA-N 0 1 379.504 3.118 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1ccn(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000171479765 1425699493 /nfs/dbraw/zinc/69/94/93/1425699493.db2.gz SQBYAMNUJNVYCB-OAQYLSRUSA-N 0 1 378.476 3.190 20 0 GGADMN CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736321607 1425701523 /nfs/dbraw/zinc/70/15/23/1425701523.db2.gz DLCYVXARRYPQKG-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736321607 1425701530 /nfs/dbraw/zinc/70/15/30/1425701530.db2.gz DLCYVXARRYPQKG-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736321607 1425701537 /nfs/dbraw/zinc/70/15/37/1425701537.db2.gz DLCYVXARRYPQKG-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824584932 1425701884 /nfs/dbraw/zinc/70/18/84/1425701884.db2.gz JXESTIVIVUSBKE-HNNXBMFYSA-N 0 1 399.520 3.009 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000171499241 1425705655 /nfs/dbraw/zinc/70/56/55/1425705655.db2.gz FKIFDLHXEAIBFG-HNNXBMFYSA-N 0 1 375.419 3.358 20 0 GGADMN CC(C)OCCCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000171497728 1425705764 /nfs/dbraw/zinc/70/57/64/1425705764.db2.gz FVUKJWJWJFSGHW-UHFFFAOYSA-N 0 1 378.904 3.323 20 0 GGADMN CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853862 1425707729 /nfs/dbraw/zinc/70/77/29/1425707729.db2.gz PRNHLUQZFHKQLP-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN CN(C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)C(=O)OC(C)(C)C ZINC000171522542 1425714408 /nfs/dbraw/zinc/71/44/08/1425714408.db2.gz AGCLCNIDPCKRMW-HNNXBMFYSA-N 0 1 384.480 3.406 20 0 GGADMN CN(C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)C(=O)OC(C)(C)C ZINC000171524316 1425716192 /nfs/dbraw/zinc/71/61/92/1425716192.db2.gz UDAVONOKBJXZAE-ZDUSSCGKSA-N 0 1 390.509 3.467 20 0 GGADMN CN(C[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)C(=O)OC(C)(C)C ZINC000171524320 1425716225 /nfs/dbraw/zinc/71/62/25/1425716225.db2.gz UDAVONOKBJXZAE-CYBMUJFWSA-N 0 1 390.509 3.467 20 0 GGADMN CC1(C)CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCN1Cc1ccccc1 ZINC000171526808 1425717780 /nfs/dbraw/zinc/71/77/80/1425717780.db2.gz YDGYYNXWWMCUBW-UHFFFAOYSA-N 0 1 384.455 3.053 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)N(C)C)c1 ZINC000171527681 1425718929 /nfs/dbraw/zinc/71/89/29/1425718929.db2.gz SRWUZSBNCBKVFF-FQEVSTJZSA-N 0 1 396.491 3.394 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826052721 1425722454 /nfs/dbraw/zinc/72/24/54/1425722454.db2.gz SYTNVFBXVYLKGT-QGZVFWFLSA-N 0 1 393.401 3.292 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826052721 1425722457 /nfs/dbraw/zinc/72/24/57/1425722457.db2.gz SYTNVFBXVYLKGT-QGZVFWFLSA-N 0 1 393.401 3.292 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826052721 1425722462 /nfs/dbraw/zinc/72/24/62/1425722462.db2.gz SYTNVFBXVYLKGT-QGZVFWFLSA-N 0 1 393.401 3.292 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000171539917 1425723664 /nfs/dbraw/zinc/72/36/64/1425723664.db2.gz OHLXCUSCXVOCDV-UHFFFAOYSA-N 0 1 377.489 3.074 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(N2CCCC2)c(F)c1 ZINC000171542397 1425726344 /nfs/dbraw/zinc/72/63/44/1425726344.db2.gz UWSJQQXNWWRDOB-UHFFFAOYSA-N 0 1 382.483 3.215 20 0 GGADMN Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)[nH]1 ZINC000171546224 1425728300 /nfs/dbraw/zinc/72/83/00/1425728300.db2.gz HVBMHTQOVLVYQI-UHFFFAOYSA-N 0 1 391.460 3.092 20 0 GGADMN Cc1n[nH]c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1 ZINC000171546224 1425728307 /nfs/dbraw/zinc/72/83/07/1425728307.db2.gz HVBMHTQOVLVYQI-UHFFFAOYSA-N 0 1 391.460 3.092 20 0 GGADMN Cc1nnc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)[nH]1 ZINC000171550202 1425730490 /nfs/dbraw/zinc/73/04/90/1425730490.db2.gz KVYFKKARUDWYPB-AZUAARDMSA-N 0 1 389.459 3.232 20 0 GGADMN CCOc1ccc(OC)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171554018 1425732249 /nfs/dbraw/zinc/73/22/49/1425732249.db2.gz NLHIXQOCAOOIKS-UHFFFAOYSA-N 0 1 384.480 3.275 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000171560261 1425735682 /nfs/dbraw/zinc/73/56/82/1425735682.db2.gz DQJPDOPXWIAKHF-KRWDZBQOSA-N 0 1 395.503 3.361 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000171563166 1425737149 /nfs/dbraw/zinc/73/71/49/1425737149.db2.gz BJJLZSVBWNBQGY-LJQANCHMSA-N 0 1 387.455 3.356 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(C)nc4onc(C(C)C)c43)CC2)c1 ZINC000171564542 1425737885 /nfs/dbraw/zinc/73/78/85/1425737885.db2.gz RUKCOYJRTVIIGQ-UHFFFAOYSA-N 0 1 395.463 3.021 20 0 GGADMN Fc1ccc(C2([NH2+]CCCOc3cccc(-c4nnn[n-]4)c3)CCOCC2)cc1 ZINC000822765951 1425737983 /nfs/dbraw/zinc/73/79/83/1425737983.db2.gz CCBMEFXGFRXTGU-UHFFFAOYSA-N 0 1 397.454 3.070 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 ZINC000171563813 1425738141 /nfs/dbraw/zinc/73/81/41/1425738141.db2.gz BTUSNXSODXJRBG-UHFFFAOYSA-N 0 1 377.444 3.214 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000171584668 1425745210 /nfs/dbraw/zinc/74/52/10/1425745210.db2.gz RWRXKODEMSQKFS-INIZCTEOSA-N 0 1 381.561 3.403 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000171585411 1425746282 /nfs/dbraw/zinc/74/62/82/1425746282.db2.gz AUBIIXARNFRHBB-MJGOQNOKSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000171586648 1425746852 /nfs/dbraw/zinc/74/68/52/1425746852.db2.gz ZKVUYBWUYAEURW-MRXNPFEDSA-N 0 1 381.561 3.308 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000171586603 1425747084 /nfs/dbraw/zinc/74/70/84/1425747084.db2.gz SLQUBQGVLKNKHM-IAGOWNOFSA-N 0 1 389.540 3.317 20 0 GGADMN Cc1ccccc1CNC(=O)CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587088 1425747865 /nfs/dbraw/zinc/74/78/65/1425747865.db2.gz FOVHSDZAFKQZIU-QGZVFWFLSA-N 0 1 389.540 3.236 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171587566 1425748376 /nfs/dbraw/zinc/74/83/76/1425748376.db2.gz MWSWKTSAHNRECI-IXDOHACOSA-N 0 1 381.561 3.116 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000171587695 1425748409 /nfs/dbraw/zinc/74/84/09/1425748409.db2.gz DKTBKXGMVHOFPY-HOTGVXAUSA-N 0 1 393.572 3.401 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000171588587 1425748939 /nfs/dbraw/zinc/74/89/39/1425748939.db2.gz PUCIDTYFQMPTFH-HOTGVXAUSA-N 0 1 381.561 3.449 20 0 GGADMN COc1cccc([C@@H](C)N2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c1 ZINC000171587904 1425749026 /nfs/dbraw/zinc/74/90/26/1425749026.db2.gz YUKOCVXXMRPWSR-MRXNPFEDSA-N 0 1 391.471 3.056 20 0 GGADMN Cc1ccccc1CN1CCN(Cn2nc(N(C)C)n(C(C)C)c2=S)CC1 ZINC000171600191 1425754992 /nfs/dbraw/zinc/75/49/92/1425754992.db2.gz XXYRUQXAPYRBDY-UHFFFAOYSA-N 0 1 388.585 3.145 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1 ZINC000171604612 1425756616 /nfs/dbraw/zinc/75/66/16/1425756616.db2.gz XGETVLWVPWJJTQ-UHFFFAOYSA-N 0 1 394.519 3.451 20 0 GGADMN Fc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC2CCOCC2)c1 ZINC000737659290 1425759775 /nfs/dbraw/zinc/75/97/75/1425759775.db2.gz CHHCVYJEGQVRRC-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN Fc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC2CCOCC2)c1 ZINC000737659290 1425759789 /nfs/dbraw/zinc/75/97/89/1425759789.db2.gz CHHCVYJEGQVRRC-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN Fc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC2CCOCC2)c1 ZINC000737659290 1425759794 /nfs/dbraw/zinc/75/97/94/1425759794.db2.gz CHHCVYJEGQVRRC-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605476 1425761706 /nfs/dbraw/zinc/76/17/06/1425761706.db2.gz HWDPYBZXTOGLBH-GFCCVEGCSA-N 0 1 395.854 3.463 20 0 GGADMN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CCCCO)CC1 ZINC000171629202 1425764249 /nfs/dbraw/zinc/76/42/49/1425764249.db2.gz DGYLZTWVHOBTAO-CQSZACIVSA-N 0 1 398.429 3.207 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C[C@H](O)Cn1cccn1 ZINC000171637504 1425768612 /nfs/dbraw/zinc/76/86/12/1425768612.db2.gz XCLFFCMWBKACJG-WMLDXEAASA-N 0 1 397.306 3.044 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 ZINC000171643343 1425770185 /nfs/dbraw/zinc/77/01/85/1425770185.db2.gz JTYNOEQCPKLMHY-UHFFFAOYSA-N 0 1 377.489 3.074 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1cccc(CO)c1)N1CCCCC1 ZINC000171649099 1425771932 /nfs/dbraw/zinc/77/19/32/1425771932.db2.gz UEGDOYSOWXSTRP-OAQYLSRUSA-N 0 1 397.519 3.214 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000171649111 1425772118 /nfs/dbraw/zinc/77/21/18/1425772118.db2.gz RGPDJFUYWCLMRQ-ICSRJNTNSA-N 0 1 389.540 3.433 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000171649116 1425772143 /nfs/dbraw/zinc/77/21/43/1425772143.db2.gz RGPDJFUYWCLMRQ-AZUAARDMSA-N 0 1 389.540 3.433 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(CC(F)F)C3CC3)c2C1 ZINC000171653427 1425775241 /nfs/dbraw/zinc/77/52/41/1425775241.db2.gz GRMFWAKSVQODEV-ZDUSSCGKSA-N 0 1 379.451 3.241 20 0 GGADMN Fc1cccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000737662679 1425778626 /nfs/dbraw/zinc/77/86/26/1425778626.db2.gz XZBXLZKTAVMBTJ-UHFFFAOYSA-N 0 1 380.471 3.151 20 0 GGADMN Fc1cccc(N2CCC[N@H+](CCCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000737662679 1425778634 /nfs/dbraw/zinc/77/86/34/1425778634.db2.gz XZBXLZKTAVMBTJ-UHFFFAOYSA-N 0 1 380.471 3.151 20 0 GGADMN Fc1cccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000737662679 1425778640 /nfs/dbraw/zinc/77/86/40/1425778640.db2.gz XZBXLZKTAVMBTJ-UHFFFAOYSA-N 0 1 380.471 3.151 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000820641873 1425780567 /nfs/dbraw/zinc/78/05/67/1425780567.db2.gz DWMWRSOHKJFLPZ-OXJNMPFZSA-N 0 1 390.491 3.254 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000820641873 1425780570 /nfs/dbraw/zinc/78/05/70/1425780570.db2.gz DWMWRSOHKJFLPZ-OXJNMPFZSA-N 0 1 390.491 3.254 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000171669705 1425783362 /nfs/dbraw/zinc/78/33/62/1425783362.db2.gz GVBACDYPRXNVRN-HNNXBMFYSA-N 0 1 389.521 3.263 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(Cl)cc1 ZINC000820410711 1425786298 /nfs/dbraw/zinc/78/62/98/1425786298.db2.gz FLIGSCDGCAOUSO-CYBMUJFWSA-N 0 1 383.887 3.235 20 0 GGADMN CCCN(Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCC)C1CC1 ZINC000171681504 1425787574 /nfs/dbraw/zinc/78/75/74/1425787574.db2.gz WHNMTPJFBFMAEO-UHFFFAOYSA-N 0 1 378.542 3.071 20 0 GGADMN Cc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)n(C)n1 ZINC000171687074 1425789547 /nfs/dbraw/zinc/78/95/47/1425789547.db2.gz VMEPDHAFZUKFQV-UHFFFAOYSA-N 0 1 375.904 3.416 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@@H+]3CCSC4(CCCCC4)C3)o2)c1 ZINC000823737644 1425790586 /nfs/dbraw/zinc/79/05/86/1425790586.db2.gz GWQVMDCDOSFGMV-UHFFFAOYSA-N 0 1 397.508 3.168 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@H+]3CCSC4(CCCCC4)C3)o2)c1 ZINC000823737644 1425790588 /nfs/dbraw/zinc/79/05/88/1425790588.db2.gz GWQVMDCDOSFGMV-UHFFFAOYSA-N 0 1 397.508 3.168 20 0 GGADMN CS(=O)(=O)c1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000171693953 1425791458 /nfs/dbraw/zinc/79/14/58/1425791458.db2.gz UMIZCGRXZNIYSJ-UHFFFAOYSA-N 0 1 390.480 3.227 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCCc3ccccc3C2)N(C)C)cc1OC ZINC000171697368 1425792889 /nfs/dbraw/zinc/79/28/89/1425792889.db2.gz YICOOOHPPWLVMR-FQEVSTJZSA-N 0 1 397.519 3.465 20 0 GGADMN CO[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000171751282 1425810705 /nfs/dbraw/zinc/81/07/05/1425810705.db2.gz LFDWIDOCHMWRFO-GOSISDBHSA-N 0 1 379.932 3.372 20 0 GGADMN COC(=O)CCc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000171751555 1425811498 /nfs/dbraw/zinc/81/14/98/1425811498.db2.gz RDKQZIWKLPXNAM-UHFFFAOYSA-N 0 1 384.457 3.450 20 0 GGADMN COc1cccc(C2CCN([C@H]3CC(=O)N([C@H](C)c4cccnc4)C3=O)CC2)c1 ZINC000171756171 1425812607 /nfs/dbraw/zinc/81/26/07/1425812607.db2.gz HZAIFVDBAKAIGA-IERDGZPVSA-N 0 1 393.487 3.158 20 0 GGADMN Cc1c([C@@H](C)NC(=O)c2nnc3ccccc3c2O)cnn1-c1ccc(F)cc1 ZINC000171766379 1425814928 /nfs/dbraw/zinc/81/49/28/1425814928.db2.gz YKROTNHTLQULAO-GFCCVEGCSA-N 0 1 391.406 3.047 20 0 GGADMN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccccc2OC(F)F)o1 ZINC000171772101 1425816443 /nfs/dbraw/zinc/81/64/43/1425816443.db2.gz ZDNAQTULXKZMAS-UHFFFAOYSA-N 0 1 383.376 3.235 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000171773483 1425816873 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COc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1OC(F)F ZINC000172246731 1425964345 /nfs/dbraw/zinc/96/43/45/1425964345.db2.gz XUQBORWVBYWNNL-UHFFFAOYSA-N 0 1 391.418 3.086 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000172246378 1425964480 /nfs/dbraw/zinc/96/44/80/1425964480.db2.gz ADAAILCEXAHROH-UHFFFAOYSA-N 0 1 379.382 3.375 20 0 GGADMN c1ccc2c(c1)nc(NC1CC[NH+](CC3CCCC3)CC1)cc2-c1nn[n-]n1 ZINC000738433746 1425970595 /nfs/dbraw/zinc/97/05/95/1425970595.db2.gz VDTHCUGNUHMBNP-UHFFFAOYSA-N 0 1 377.496 3.481 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCC3(C(=O)N(C)C)CCCC3)[nH]c2c1 ZINC000172272627 1425976761 /nfs/dbraw/zinc/97/67/61/1425976761.db2.gz FFSLKJICRMWSLT-GOSISDBHSA-N 0 1 397.523 3.366 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000172289069 1425983015 /nfs/dbraw/zinc/98/30/15/1425983015.db2.gz ICQJFRDMCIHUQP-CRAIPNDOSA-N 0 1 391.487 3.168 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000172295737 1425984899 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CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCc3cccc(O)c3)c2C1 ZINC000172337665 1426005272 /nfs/dbraw/zinc/00/52/72/1426005272.db2.gz YDJSMSOCMRYYAZ-MRXNPFEDSA-N 0 1 395.503 3.050 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000172336905 1426005584 /nfs/dbraw/zinc/00/55/84/1426005584.db2.gz NADUDFMYOZYMQV-UHFFFAOYSA-N 0 1 398.482 3.315 20 0 GGADMN CCCN1CCN(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000172342247 1426007720 /nfs/dbraw/zinc/00/77/20/1426007720.db2.gz IVXKDRIOUZWCIW-UHFFFAOYSA-N 0 1 380.920 3.380 20 0 GGADMN O=C(N[C@H](Cc1ccccc1)C1CC1)NC1CCN(Cc2ccncc2)CC1 ZINC000172348178 1426010319 /nfs/dbraw/zinc/01/03/19/1426010319.db2.gz DDXJMSRRZQYCNV-JOCHJYFZSA-N 0 1 378.520 3.367 20 0 GGADMN Cc1cccnc1[C@H](N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(C)C ZINC000172349729 1426011508 /nfs/dbraw/zinc/01/15/08/1426011508.db2.gz QGGSAFZUWKHGAS-PZJWPPBQSA-N 0 1 380.536 3.414 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000172358974 1426013782 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3.352 20 0 GGADMN CCC(CC)c1nnc(NC(=O)N2CCN(CC3CCOCC3)CC2)s1 ZINC000172401467 1426027133 /nfs/dbraw/zinc/02/71/33/1426027133.db2.gz YEBAEGXGLDPLEL-UHFFFAOYSA-N 0 1 381.546 3.018 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000736198383 1426032760 /nfs/dbraw/zinc/03/27/60/1426032760.db2.gz SOFCXJFRCSBUGC-CQSZACIVSA-N 0 1 396.882 3.039 20 0 GGADMN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000172428082 1426040878 /nfs/dbraw/zinc/04/08/78/1426040878.db2.gz XVJIUFMYSFQGHX-UYAOXDASSA-N 0 1 388.556 3.187 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)C1CCCCC1 ZINC000172432775 1426042426 /nfs/dbraw/zinc/04/24/26/1426042426.db2.gz XYDLQOPJOHABTC-MSOLQXFVSA-N 0 1 383.540 3.478 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000172439087 1426043366 /nfs/dbraw/zinc/04/33/66/1426043366.db2.gz WSQPXMDHVJNUKR-MRXNPFEDSA-N 0 1 395.850 3.368 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172458872 1426048144 /nfs/dbraw/zinc/04/81/44/1426048144.db2.gz PGNNFENRTPQQLG-QZTJIDSGSA-N 0 1 396.453 3.380 20 0 GGADMN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172459793 1426048163 /nfs/dbraw/zinc/04/81/63/1426048163.db2.gz PDYWZUPXSRYHGY-UHFFFAOYSA-N 0 1 379.504 3.241 20 0 GGADMN O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172458950 1426048256 /nfs/dbraw/zinc/04/82/56/1426048256.db2.gz JZKIHCQGRPXZIN-UHFFFAOYSA-N 0 1 388.455 3.483 20 0 GGADMN O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000172462649 1426050113 /nfs/dbraw/zinc/05/01/13/1426050113.db2.gz AHLKSQNJHCAZIZ-QHCPKHFHSA-N 0 1 394.515 3.378 20 0 GGADMN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172461775 1426050280 /nfs/dbraw/zinc/05/02/80/1426050280.db2.gz SZDNNDYOFYRJCC-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN CN(C)[C@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000172498177 1426060383 /nfs/dbraw/zinc/06/03/83/1426060383.db2.gz VFVSMDWKEJHBED-MRXNPFEDSA-N 0 1 381.492 3.238 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)ccc21 ZINC000172501335 1426061202 /nfs/dbraw/zinc/06/12/02/1426061202.db2.gz ASSKOPJQOZXBGT-OAQYLSRUSA-N 0 1 392.503 3.409 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)cc21 ZINC000172502176 1426061696 /nfs/dbraw/zinc/06/16/96/1426061696.db2.gz RKGIVOOOLXNPDY-KRWDZBQOSA-N 0 1 399.520 3.036 20 0 GGADMN Cc1c(Cl)cnc(NC2CCC([NH+]3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826238685 1426062064 /nfs/dbraw/zinc/06/20/64/1426062064.db2.gz MRTWKLGORIITTK-UHFFFAOYSA-N 0 1 375.908 3.433 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820710102 1426073066 /nfs/dbraw/zinc/07/30/66/1426073066.db2.gz OIXIMGCWNJOHFX-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820710102 1426073074 /nfs/dbraw/zinc/07/30/74/1426073074.db2.gz OIXIMGCWNJOHFX-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820710102 1426073082 /nfs/dbraw/zinc/07/30/82/1426073082.db2.gz OIXIMGCWNJOHFX-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN COc1ccc(CCC(=O)N2CCCN(CCc3scnc3C)CC2)cc1 ZINC000172532128 1426074403 /nfs/dbraw/zinc/07/44/03/1426074403.db2.gz ZERTYHPDDKTTMV-UHFFFAOYSA-N 0 1 387.549 3.170 20 0 GGADMN CCSCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825668103 1426081402 /nfs/dbraw/zinc/08/14/02/1426081402.db2.gz AOJUXVFFQUGRSM-AWEZNQCLSA-N 0 1 385.541 3.231 20 0 GGADMN CCSCC[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825668103 1426081405 /nfs/dbraw/zinc/08/14/05/1426081405.db2.gz AOJUXVFFQUGRSM-AWEZNQCLSA-N 0 1 385.541 3.231 20 0 GGADMN CCSCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825668103 1426081409 /nfs/dbraw/zinc/08/14/09/1426081409.db2.gz AOJUXVFFQUGRSM-AWEZNQCLSA-N 0 1 385.541 3.231 20 0 GGADMN COc1cc(C)ccc1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000172552473 1426083394 /nfs/dbraw/zinc/08/33/94/1426083394.db2.gz MHPQCTMJOWMNAZ-SFHVURJKSA-N 0 1 392.459 3.491 20 0 GGADMN COc1cc(C)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000172552477 1426083573 /nfs/dbraw/zinc/08/35/73/1426083573.db2.gz MHPQCTMJOWMNAZ-GOSISDBHSA-N 0 1 392.459 3.491 20 0 GGADMN Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000172555452 1426084998 /nfs/dbraw/zinc/08/49/98/1426084998.db2.gz UDMJTLVTYADIPR-OAQYLSRUSA-N 0 1 385.508 3.212 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172555433 1426085121 /nfs/dbraw/zinc/08/51/21/1426085121.db2.gz BZCVUBFVFZUDBL-FQEVSTJZSA-N 0 1 391.519 3.346 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)cc1 ZINC000826192787 1426085414 /nfs/dbraw/zinc/08/54/14/1426085414.db2.gz AZAVBDVEWJSHOJ-UHFFFAOYSA-N 0 1 389.463 3.001 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172556397 1426085772 /nfs/dbraw/zinc/08/57/72/1426085772.db2.gz AVHFFSLIPLXWTC-LPHOPBHVSA-N 0 1 393.491 3.335 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172556145 1426085812 /nfs/dbraw/zinc/08/58/12/1426085812.db2.gz COUAGKSEKVTLGG-SCTDSRPQSA-N 0 1 389.503 3.275 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172556400 1426085915 /nfs/dbraw/zinc/08/59/15/1426085915.db2.gz AVHFFSLIPLXWTC-QFBILLFUSA-N 0 1 393.491 3.335 20 0 GGADMN CC(C)N(C(=O)CN1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000172557454 1426086901 /nfs/dbraw/zinc/08/69/01/1426086901.db2.gz SWDUAKZVTBXHGX-SFHVURJKSA-N 0 1 377.492 3.350 20 0 GGADMN CCCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736453950 1426090804 /nfs/dbraw/zinc/09/08/04/1426090804.db2.gz UZAZCQDHFSVDOG-GFCCVEGCSA-N 0 1 376.530 3.256 20 0 GGADMN Cc1cc(CN2CCN(CCNC(=O)c3ccccc3F)CC2)c(C)s1 ZINC000172570159 1426092625 /nfs/dbraw/zinc/09/26/25/1426092625.db2.gz IEOQDDBCINUACB-UHFFFAOYSA-N 0 1 375.513 3.052 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCSC[C@H]2C)CC1 ZINC000172577143 1426095465 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396.838 3.093 20 0 GGADMN CCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000736684385 1426297071 /nfs/dbraw/zinc/29/70/71/1426297071.db2.gz GXABGFNYAKAMOJ-SUMWQHHRSA-N 0 1 380.452 3.186 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000821651581 1426299483 /nfs/dbraw/zinc/29/94/83/1426299483.db2.gz BXELAIROYKMWJL-SJLPKXTDSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000821651581 1426299488 /nfs/dbraw/zinc/29/94/88/1426299488.db2.gz BXELAIROYKMWJL-SJLPKXTDSA-N 0 1 397.866 3.224 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000172995312 1426300923 /nfs/dbraw/zinc/30/09/23/1426300923.db2.gz DQRZZPFMDNZHDN-UHFFFAOYSA-N 0 1 397.866 3.143 20 0 GGADMN CC(C)Nc1cc(F)ccc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000172999745 1426302682 /nfs/dbraw/zinc/30/26/82/1426302682.db2.gz UIYHQRJBELJFQP-UHFFFAOYSA-N 0 1 386.452 3.434 20 0 GGADMN 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0 1 383.422 3.205 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736266340 1426322498 /nfs/dbraw/zinc/32/24/98/1426322498.db2.gz NFONKJWGEIWWEX-GFCCVEGCSA-N 0 1 383.422 3.205 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000173052488 1426324319 /nfs/dbraw/zinc/32/43/19/1426324319.db2.gz DNMPAZBYWZLZKO-CQSZACIVSA-N 0 1 375.542 3.009 20 0 GGADMN CC1CC[NH+](CCc2cccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)c2)CC1 ZINC000824957416 1426329242 /nfs/dbraw/zinc/32/92/42/1426329242.db2.gz XNRZVQBFSLGMSP-UHFFFAOYSA-N 0 1 396.520 3.455 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3SCCc4sccc43)n2)cc1 ZINC000173069320 1426330290 /nfs/dbraw/zinc/33/02/90/1426330290.db2.gz DIFJQLVYUYSJFT-INIZCTEOSA-N 0 1 386.502 3.189 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3SCCc4sccc43)n[nH]2)cc1 ZINC000173069320 1426330298 /nfs/dbraw/zinc/33/02/98/1426330298.db2.gz DIFJQLVYUYSJFT-INIZCTEOSA-N 0 1 386.502 3.189 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3SCCc4sccc43)n2)cc1 ZINC000173069329 1426330461 /nfs/dbraw/zinc/33/04/61/1426330461.db2.gz DIFJQLVYUYSJFT-MRXNPFEDSA-N 0 1 386.502 3.189 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3SCCc4sccc43)n[nH]2)cc1 ZINC000173069329 1426330469 /nfs/dbraw/zinc/33/04/69/1426330469.db2.gz DIFJQLVYUYSJFT-MRXNPFEDSA-N 0 1 386.502 3.189 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C1Cc2ccccc2C1 ZINC000825962019 1426334087 /nfs/dbraw/zinc/33/40/87/1426334087.db2.gz QIJWQAQRUVMUND-UHFFFAOYSA-N 0 1 384.281 3.228 20 0 GGADMN CN(C)[C@H](CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)c1cccs1 ZINC000173082654 1426334768 /nfs/dbraw/zinc/33/47/68/1426334768.db2.gz ZXCHDMDBATVGNH-CYBMUJFWSA-N 0 1 394.566 3.151 20 0 GGADMN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(N3CCN(C)CC3)cc1C)C2 ZINC000173087060 1426337298 /nfs/dbraw/zinc/33/72/98/1426337298.db2.gz VKUTWQQFQVMADZ-JOCHJYFZSA-N 0 1 379.504 3.306 20 0 GGADMN CCC(CC)(C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)c1ccc(Cl)cc1 ZINC000173089589 1426337657 /nfs/dbraw/zinc/33/76/57/1426337657.db2.gz FNPDVKGZZKXGKZ-MRXNPFEDSA-N 0 1 376.888 3.424 20 0 GGADMN CCC(CC)(C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1)c1ccc(Cl)cc1 ZINC000173089582 1426337889 /nfs/dbraw/zinc/33/78/89/1426337889.db2.gz FNPDVKGZZKXGKZ-INIZCTEOSA-N 0 1 376.888 3.424 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000821650183 1426340144 /nfs/dbraw/zinc/34/01/44/1426340144.db2.gz LYDKXSWTASGRJL-LJQANCHMSA-N 0 1 393.491 3.299 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000821650183 1426340149 /nfs/dbraw/zinc/34/01/49/1426340149.db2.gz LYDKXSWTASGRJL-LJQANCHMSA-N 0 1 393.491 3.299 20 0 GGADMN CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@@H](N4CCCC4)C3)cc2s1 ZINC000173102740 1426342843 /nfs/dbraw/zinc/34/28/43/1426342843.db2.gz FMKVBZDIYTZNAY-CQSZACIVSA-N 0 1 393.578 3.453 20 0 GGADMN Cc1cc(OC(F)F)c(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)s1 ZINC000173105480 1426343875 /nfs/dbraw/zinc/34/38/75/1426343875.db2.gz JWSHLDRYSQJYBK-UHFFFAOYSA-N 0 1 383.420 3.071 20 0 GGADMN Cc1cccc2c(CCC(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c[nH]c21 ZINC000173104711 1426343956 /nfs/dbraw/zinc/34/39/56/1426343956.db2.gz UOLQCDFZXWQGCW-UHFFFAOYSA-N 0 1 378.476 3.208 20 0 GGADMN CC(C)COc1ccc(CC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000173106352 1426344429 /nfs/dbraw/zinc/34/44/29/1426344429.db2.gz XARSGNROCDYWQV-UHFFFAOYSA-N 0 1 383.492 3.063 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000173106573 1426344750 /nfs/dbraw/zinc/34/47/50/1426344750.db2.gz NWDDNHBHMNIVSZ-KBPBESRZSA-N 0 1 389.858 3.382 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)COc1cccc2ccccc21 ZINC000173106489 1426344788 /nfs/dbraw/zinc/34/47/88/1426344788.db2.gz PJHFDFLOCRLDOK-UHFFFAOYSA-N 0 1 377.444 3.018 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000173106144 1426344830 /nfs/dbraw/zinc/34/48/30/1426344830.db2.gz ZPGPVMJXPBZERN-UHFFFAOYSA-N 0 1 384.867 3.163 20 0 GGADMN O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000738382972 1426346526 /nfs/dbraw/zinc/34/65/26/1426346526.db2.gz UMWBOBLJILOBSL-FPOVZHCZSA-N 0 1 393.491 3.128 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)C2)CC1 ZINC000173109653 1426347219 /nfs/dbraw/zinc/34/72/19/1426347219.db2.gz WEBXBDBQIRPGJE-GOSISDBHSA-N 0 1 396.510 3.103 20 0 GGADMN CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](N4CCN(CC)CC4)C3)o2)cc1 ZINC000173109873 1426347296 /nfs/dbraw/zinc/34/72/96/1426347296.db2.gz NAZLXQAQQNESDH-HXUWFJFHSA-N 0 1 381.520 3.361 20 0 GGADMN CC(C)=CCOc1cccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000173115707 1426350040 /nfs/dbraw/zinc/35/00/40/1426350040.db2.gz VVPGJUCMKJTMTA-UHFFFAOYSA-N 0 1 394.519 3.108 20 0 GGADMN O=C(CCC1CCOCC1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000173118694 1426351325 /nfs/dbraw/zinc/35/13/25/1426351325.db2.gz PMDBLDSSLFCWMK-UHFFFAOYSA-N 0 1 393.959 3.175 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C)ccc1C ZINC000173122055 1426352032 /nfs/dbraw/zinc/35/20/32/1426352032.db2.gz NSQOSPGEIZCFOG-HNNXBMFYSA-N 0 1 388.489 3.429 20 0 GGADMN CN(C)[C@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccc(F)c1 ZINC000173131446 1426355319 /nfs/dbraw/zinc/35/53/19/1426355319.db2.gz CHLUKLTZTHQXKW-HXUWFJFHSA-N 0 1 383.467 3.136 20 0 GGADMN C[C@H]1C[C@@H]1c1ccc(CNC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824898912 1426363000 /nfs/dbraw/zinc/36/30/00/1426363000.db2.gz GVDBEBUFNSGBHR-YWZLYKJASA-N 0 1 392.507 3.337 20 0 GGADMN C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824898912 1426363005 /nfs/dbraw/zinc/36/30/05/1426363005.db2.gz GVDBEBUFNSGBHR-YWZLYKJASA-N 0 1 392.507 3.337 20 0 GGADMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000173146074 1426364615 /nfs/dbraw/zinc/36/46/15/1426364615.db2.gz NEQHCUUCMYQEME-OAHLLOKOSA-N 0 1 386.515 3.135 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000173149086 1426366012 /nfs/dbraw/zinc/36/60/12/1426366012.db2.gz MIUAMIIHOYCIIN-UHFFFAOYSA-N 0 1 376.497 3.419 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000173156013 1426369408 /nfs/dbraw/zinc/36/94/08/1426369408.db2.gz PTUNBRHRUKRQPS-HXUWFJFHSA-N 0 1 395.503 3.012 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2C)c1 ZINC000173173418 1426377571 /nfs/dbraw/zinc/37/75/71/1426377571.db2.gz XGLLZHMGBUDMDS-HNNXBMFYSA-N 0 1 388.489 3.429 20 0 GGADMN COc1ccc(COCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826206871 1426377992 /nfs/dbraw/zinc/37/79/92/1426377992.db2.gz OVPKONYXORZQRK-FQEVSTJZSA-N 0 1 379.464 3.059 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(CC(F)(F)F)cc1 ZINC000173189141 1426384138 /nfs/dbraw/zinc/38/41/38/1426384138.db2.gz JVKJBIIMKQWMAZ-UHFFFAOYSA-N 0 1 392.425 3.337 20 0 GGADMN CCOc1cccc([C@@H](C)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)c1 ZINC000173195264 1426386116 /nfs/dbraw/zinc/38/61/16/1426386116.db2.gz DPUBQNOUZBACFB-CXAGYDPISA-N 0 1 388.489 3.390 20 0 GGADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821014365 1426393927 /nfs/dbraw/zinc/39/39/27/1426393927.db2.gz FKWGCHUJIRDWDL-LRDDRELGSA-N 0 1 376.892 3.359 20 0 GGADMN CCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1ccccc1C ZINC000173208437 1426395146 /nfs/dbraw/zinc/39/51/46/1426395146.db2.gz MNUFJOAIBIHNMC-UHFFFAOYSA-N 0 1 392.507 3.357 20 0 GGADMN CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824324807 1426397302 /nfs/dbraw/zinc/39/73/02/1426397302.db2.gz WCRRENZPTDICSI-BFUOFWGJSA-N 0 1 385.443 3.177 20 0 GGADMN O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173217206 1426399958 /nfs/dbraw/zinc/39/99/58/1426399958.db2.gz HIYAMKLKVIJMOC-KRWDZBQOSA-N 0 1 395.434 3.029 20 0 GGADMN NC(=O)Nc1ccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)cc1 ZINC000173223469 1426406776 /nfs/dbraw/zinc/40/67/76/1426406776.db2.gz WQUCECRNPXRACM-UHFFFAOYSA-N 0 1 387.346 3.421 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)N(C(C)C)C(C)C)ccc2NC1=O ZINC000173223544 1426407399 /nfs/dbraw/zinc/40/73/99/1426407399.db2.gz SMEMUZVHYZDBTH-MPGHIAIKSA-N 0 1 375.513 3.481 20 0 GGADMN Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173223995 1426408342 /nfs/dbraw/zinc/40/83/42/1426408342.db2.gz JBPYBMHWLVMGOR-GOSISDBHSA-N 0 1 387.549 3.048 20 0 GGADMN NC(=O)Nc1cccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000173225172 1426409513 /nfs/dbraw/zinc/40/95/13/1426409513.db2.gz UXHMQEOUFIMMQP-UHFFFAOYSA-N 0 1 387.346 3.421 20 0 GGADMN Cc1cc(C)n2nc(C(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)nc2n1 ZINC000173226448 1426411107 /nfs/dbraw/zinc/41/11/07/1426411107.db2.gz AWYBQDPFVOEGEV-UHFFFAOYSA-N 0 1 399.867 3.089 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000173227755 1426412788 /nfs/dbraw/zinc/41/27/88/1426412788.db2.gz GTQCAJWVDXFGQU-DOXZYTNZSA-N 0 1 381.476 3.152 20 0 GGADMN Cc1ccccc1[C@H]1CCCN1CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000173231181 1426415891 /nfs/dbraw/zinc/41/58/91/1426415891.db2.gz KZXGLGCLPXEYFS-LAUBAEHRSA-N 0 1 397.494 3.265 20 0 GGADMN Cc1ccccc1[C@@H]1CCCN1CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000173231160 1426416149 /nfs/dbraw/zinc/41/61/49/1426416149.db2.gz KZXGLGCLPXEYFS-UWJYYQICSA-N 0 1 397.494 3.265 20 0 GGADMN c1oc2ccccc2c1C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826522490 1426429862 /nfs/dbraw/zinc/42/98/62/1426429862.db2.gz DAKHQUCMUHSIJA-UHFFFAOYSA-N 0 1 390.447 3.488 20 0 GGADMN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000173264644 1426442842 /nfs/dbraw/zinc/44/28/42/1426442842.db2.gz BTMGCMPAVXPEFX-IBGZPJMESA-N 0 1 392.547 3.167 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820913671 1426451534 /nfs/dbraw/zinc/45/15/34/1426451534.db2.gz IUQRFSPUPLDCSY-OAHLLOKOSA-N 0 1 384.509 3.210 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825281815 1426454178 /nfs/dbraw/zinc/45/41/78/1426454178.db2.gz JJTIXCWBNSRARZ-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCCC[N@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825281815 1426454182 /nfs/dbraw/zinc/45/41/82/1426454182.db2.gz JJTIXCWBNSRARZ-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825281815 1426454184 /nfs/dbraw/zinc/45/41/84/1426454184.db2.gz JJTIXCWBNSRARZ-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000820676383 1426460384 /nfs/dbraw/zinc/46/03/84/1426460384.db2.gz MMNDNFKWNKAIKY-ZNZDAUKMSA-N 0 1 379.464 3.281 20 0 GGADMN c1ccc(C2CC[NH+](Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)cc1 ZINC000823779357 1426460701 /nfs/dbraw/zinc/46/07/01/1426460701.db2.gz BAXYPNFRYGKKMQ-UHFFFAOYSA-N 0 1 387.447 3.296 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618908 1426467652 /nfs/dbraw/zinc/46/76/52/1426467652.db2.gz RWURELAVAOEKOA-ZDUSSCGKSA-N 0 1 382.493 3.491 20 0 GGADMN C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976269 1426467884 /nfs/dbraw/zinc/46/78/84/1426467884.db2.gz IIHBEJYUPPEOHF-UHFFFAOYSA-N 0 1 382.374 3.432 20 0 GGADMN C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976269 1426467888 /nfs/dbraw/zinc/46/78/88/1426467888.db2.gz IIHBEJYUPPEOHF-UHFFFAOYSA-N 0 1 382.374 3.432 20 0 GGADMN O[C@H](C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1)c1ccco1 ZINC000826503183 1426469341 /nfs/dbraw/zinc/46/93/41/1426469341.db2.gz SGRPRNYAYBOGMA-QGZVFWFLSA-N 0 1 381.461 3.257 20 0 GGADMN C[C@@H](NCc1ccccc1Cn1cccn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173302714 1426483889 /nfs/dbraw/zinc/48/38/89/1426483889.db2.gz VZAZBVJLIKBODK-QGZVFWFLSA-N 0 1 398.532 3.033 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173305160 1426487149 /nfs/dbraw/zinc/48/71/49/1426487149.db2.gz PFZNAHZJBLWPGG-LSDHHAIUSA-N 0 1 389.521 3.307 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173309107 1426492236 /nfs/dbraw/zinc/49/22/36/1426492236.db2.gz XSQBLQLDKJHUME-KGLIPLIRSA-N 0 1 376.478 3.077 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000821808357 1426496360 /nfs/dbraw/zinc/49/63/60/1426496360.db2.gz FJMPWHIYPVPVFC-OAHLLOKOSA-N 0 1 394.262 3.005 20 0 GGADMN CCOCc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000173315457 1426499444 /nfs/dbraw/zinc/49/94/44/1426499444.db2.gz ONJFPOGFLHHDIP-INIZCTEOSA-N 0 1 376.522 3.324 20 0 GGADMN COc1ccc([C@@H](C)CCNC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000173319432 1426502172 /nfs/dbraw/zinc/50/21/72/1426502172.db2.gz KTZGWDRBBRUITP-LBPRGKRZSA-N 0 1 383.473 3.144 20 0 GGADMN Cc1cc(NC(=O)CNC(C)(C)c2ccc(F)cc2)n(-c2nc(C)cc(C)n2)n1 ZINC000173322460 1426505493 /nfs/dbraw/zinc/50/54/93/1426505493.db2.gz MBBGCMJTKXNHQT-UHFFFAOYSA-N 0 1 396.470 3.190 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000173332528 1426513811 /nfs/dbraw/zinc/51/38/11/1426513811.db2.gz IHBFWTOHIIXDJT-WIYYLYMNSA-N 0 1 396.510 3.343 20 0 GGADMN COc1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000173336489 1426517096 /nfs/dbraw/zinc/51/70/96/1426517096.db2.gz CCFCUDLGVAJCNZ-GJZGRUSLSA-N 0 1 392.521 3.366 20 0 GGADMN C[NH+](C)[C@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736760235 1426520240 /nfs/dbraw/zinc/52/02/40/1426520240.db2.gz QSEVFRPAMZMHNL-MRXNPFEDSA-N 0 1 387.285 3.344 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824284837 1426523307 /nfs/dbraw/zinc/52/33/07/1426523307.db2.gz OKNOJOUDINNUFA-UHFFFAOYSA-N 0 1 393.333 3.186 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(c2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000824284837 1426523311 /nfs/dbraw/zinc/52/33/11/1426523311.db2.gz OKNOJOUDINNUFA-UHFFFAOYSA-N 0 1 393.333 3.186 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000824284837 1426523315 /nfs/dbraw/zinc/52/33/15/1426523315.db2.gz OKNOJOUDINNUFA-UHFFFAOYSA-N 0 1 393.333 3.186 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+](CCCOc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737118159 1426524995 /nfs/dbraw/zinc/52/49/95/1426524995.db2.gz BCKFEBSIJCXZPP-UHFFFAOYSA-N 0 1 379.464 3.093 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+](CCCOc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737118159 1426524998 /nfs/dbraw/zinc/52/49/98/1426524998.db2.gz BCKFEBSIJCXZPP-UHFFFAOYSA-N 0 1 379.464 3.093 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+](CCCOc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737118159 1426525003 /nfs/dbraw/zinc/52/50/03/1426525003.db2.gz BCKFEBSIJCXZPP-UHFFFAOYSA-N 0 1 379.464 3.093 20 0 GGADMN COc1ccc(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)cc1-c1nn[n-]n1 ZINC000821818701 1426525790 /nfs/dbraw/zinc/52/57/90/1426525790.db2.gz YRYOAUAQHLKIHP-UHFFFAOYSA-N 0 1 394.479 3.150 20 0 GGADMN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C[C@@H]1CCCOC1 ZINC000173351701 1426528839 /nfs/dbraw/zinc/52/88/39/1426528839.db2.gz JMJHRBQNEBWBBZ-HNNXBMFYSA-N 0 1 377.485 3.170 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736407575 1426535764 /nfs/dbraw/zinc/53/57/64/1426535764.db2.gz PLNIIVQYMNJDIW-GOSISDBHSA-N 0 1 396.882 3.468 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736407575 1426535767 /nfs/dbraw/zinc/53/57/67/1426535767.db2.gz PLNIIVQYMNJDIW-GOSISDBHSA-N 0 1 396.882 3.468 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC3(CCCC3)C2)N(C)C)cc1OC ZINC000173363998 1426536784 /nfs/dbraw/zinc/53/67/84/1426536784.db2.gz WGZFOYARAXECMS-QGZVFWFLSA-N 0 1 375.513 3.282 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N([C@H](C)C2CC2)C2CC2)N(C)C)cc1OC ZINC000173363790 1426536862 /nfs/dbraw/zinc/53/68/62/1426536862.db2.gz PUDASYFXFDRPJV-RDTXWAMCSA-N 0 1 375.513 3.279 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824572149 1426537149 /nfs/dbraw/zinc/53/71/49/1426537149.db2.gz TUXTUNUWRYDAGP-XXFAHNHDSA-N 0 1 379.798 3.183 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CC[C@@H](CC(C)C)C2)N(C)C)cc1OC ZINC000173364314 1426537828 /nfs/dbraw/zinc/53/78/28/1426537828.db2.gz STEDVYFDFVHAIS-FUHWJXTLSA-N 0 1 377.529 3.384 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000173364382 1426538547 /nfs/dbraw/zinc/53/85/47/1426538547.db2.gz VAWHNIRFOZDLMI-NJAFHUGGSA-N 0 1 375.513 3.281 20 0 GGADMN COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826191726 1426539011 /nfs/dbraw/zinc/53/90/11/1426539011.db2.gz OJPKBTCKQBSQPP-AUUYWEPGSA-N 0 1 393.491 3.482 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CC[NH+](C2CCCCC2)CC1 ZINC000823797495 1426542012 /nfs/dbraw/zinc/54/20/12/1426542012.db2.gz QLPJZVAKXZZXQC-UHFFFAOYSA-N 0 1 378.484 3.019 20 0 GGADMN Cc1ccccc1NC(=O)CCN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000173369773 1426542265 /nfs/dbraw/zinc/54/22/65/1426542265.db2.gz QXFUORQIPWEMOV-UHFFFAOYSA-N 0 1 392.503 3.063 20 0 GGADMN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738115857 1426547607 /nfs/dbraw/zinc/54/76/07/1426547607.db2.gz FIFYJJJHGWZBNS-UHFFFAOYSA-N 0 1 390.491 3.173 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000822196570 1426549671 /nfs/dbraw/zinc/54/96/71/1426549671.db2.gz NZAPWFMIDINPJU-UHFFFAOYSA-N 0 1 388.479 3.377 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173378390 1426551851 /nfs/dbraw/zinc/55/18/51/1426551851.db2.gz ZLQOLQUFCCLVSE-UONOGXRCSA-N 0 1 378.494 3.024 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc[nH]2)ccc1C ZINC000173382091 1426555898 /nfs/dbraw/zinc/55/58/98/1426555898.db2.gz LMIIYWAUMGHGMO-UHFFFAOYSA-N 0 1 399.472 3.063 20 0 GGADMN CC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000891474114 1426561498 /nfs/dbraw/zinc/56/14/98/1426561498.db2.gz QKVMWFLLCZVCLN-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4ccc(-c5nn[n-]n5)cc4)CC[C@@H]32)cc1 ZINC000823781021 1426562634 /nfs/dbraw/zinc/56/26/34/1426562634.db2.gz YQQRNXBNFFBWPC-YADHBBJMSA-N 0 1 388.519 3.353 20 0 GGADMN COc1cccc(CN(C)C(=O)CN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000173389263 1426567041 /nfs/dbraw/zinc/56/70/41/1426567041.db2.gz YFRXNCGUZXTJOH-JOCHJYFZSA-N 0 1 382.504 3.026 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000826332276 1426567129 /nfs/dbraw/zinc/56/71/29/1426567129.db2.gz PCGUUKNEYDGUAG-UHFFFAOYSA-N 0 1 394.870 3.041 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000826332276 1426567131 /nfs/dbraw/zinc/56/71/31/1426567131.db2.gz PCGUUKNEYDGUAG-UHFFFAOYSA-N 0 1 394.870 3.041 20 0 GGADMN CC(C)[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(C)CC1 ZINC000173391030 1426568578 /nfs/dbraw/zinc/56/85/78/1426568578.db2.gz DJETWEYNFXPQCZ-QFIPXVFZSA-N 0 1 398.526 3.253 20 0 GGADMN C[C@H](NCc1cccc(OCC(F)F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173392360 1426570029 /nfs/dbraw/zinc/57/00/29/1426570029.db2.gz MINHZUWTJRLEND-AWEZNQCLSA-N 0 1 398.475 3.432 20 0 GGADMN Clc1ccc(CN(CC[NH+]2CCCC2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822574477 1426569944 /nfs/dbraw/zinc/56/99/44/1426569944.db2.gz VGUFACHMFUZIHV-UHFFFAOYSA-N 0 1 383.887 3.018 20 0 GGADMN COc1cc(NC(=O)CCN2CCOC[C@@H]2CC(C)C)c(OC)cc1Cl ZINC000173402133 1426585149 /nfs/dbraw/zinc/58/51/49/1426585149.db2.gz FGRAHCOVBKGRFQ-AWEZNQCLSA-N 0 1 384.904 3.433 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)CCc1cccn1C)N1CCCC1 ZINC000173401909 1426585696 /nfs/dbraw/zinc/58/56/96/1426585696.db2.gz PNOGLAQSBBEQAG-WIYYLYMNSA-N 0 1 398.551 3.491 20 0 GGADMN COCc1cc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000173401848 1426585964 /nfs/dbraw/zinc/58/59/64/1426585964.db2.gz XCCQHCBRRLQIDH-AWEZNQCLSA-N 0 1 380.485 3.073 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000173407217 1426590835 /nfs/dbraw/zinc/59/08/35/1426590835.db2.gz ZTQYHIZMWVMHOY-MRXNPFEDSA-N 0 1 396.507 3.031 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)o1 ZINC000173410299 1426593749 /nfs/dbraw/zinc/59/37/49/1426593749.db2.gz JVXAPEJQJZEPIA-RTBURBONSA-N 0 1 389.496 3.140 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824617885 1426599274 /nfs/dbraw/zinc/59/92/74/1426599274.db2.gz KYQBQGJJJSAWRL-CQSZACIVSA-N 0 1 377.427 3.101 20 0 GGADMN Fc1ccc(CN2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000737647450 1426617645 /nfs/dbraw/zinc/61/76/45/1426617645.db2.gz DMYMSHKEYBGVHS-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000737647450 1426617648 /nfs/dbraw/zinc/61/76/48/1426617648.db2.gz DMYMSHKEYBGVHS-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000737647450 1426617651 /nfs/dbraw/zinc/61/76/51/1426617651.db2.gz DMYMSHKEYBGVHS-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(F)c1Cl ZINC000173439073 1426619216 /nfs/dbraw/zinc/61/92/16/1426619216.db2.gz PTSJGLJRMQGDCD-UHFFFAOYSA-N 0 1 375.875 3.421 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173438735 1426619672 /nfs/dbraw/zinc/61/96/72/1426619672.db2.gz CMAMZVRZLPZGIR-MSOLQXFVSA-N 0 1 383.536 3.077 20 0 GGADMN O=C1CCCCN1CC1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000173438353 1426619747 /nfs/dbraw/zinc/61/97/47/1426619747.db2.gz SUYUIIXDINMTNQ-FQEVSTJZSA-N 0 1 387.499 3.046 20 0 GGADMN CC(C)CN1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000173441450 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20 0 GGADMN CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1nc(C2CC2)no1 ZINC000824199983 1426633803 /nfs/dbraw/zinc/63/38/03/1426633803.db2.gz NJIYLEVRAWFTSN-SJORKVTESA-N 0 1 379.468 3.491 20 0 GGADMN C[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824625811 1426638766 /nfs/dbraw/zinc/63/87/66/1426638766.db2.gz KOBACCZPKALMJA-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000826169160 1426643475 /nfs/dbraw/zinc/64/34/75/1426643475.db2.gz JYYVAMGSRVQYSP-SFHVURJKSA-N 0 1 389.463 3.099 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000826169160 1426643477 /nfs/dbraw/zinc/64/34/77/1426643477.db2.gz JYYVAMGSRVQYSP-SFHVURJKSA-N 0 1 389.463 3.099 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000173472118 1426646153 /nfs/dbraw/zinc/64/61/53/1426646153.db2.gz GIIUHXUDCXCPLW-UHFFFAOYSA-N 0 1 391.519 3.218 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1C(C)=O ZINC000173476233 1426650220 /nfs/dbraw/zinc/65/02/20/1426650220.db2.gz OHFNKESQYHSJAA-UHFFFAOYSA-N 0 1 381.476 3.292 20 0 GGADMN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2nnc3ccccc3c2O)cc1 ZINC000173478049 1426652282 /nfs/dbraw/zinc/65/22/82/1426652282.db2.gz YQISCIPBLOFUJT-KKSFZXQISA-N 0 1 377.444 3.129 20 0 GGADMN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3cccc(Cl)c3O)cc12 ZINC000173478447 1426652609 /nfs/dbraw/zinc/65/26/09/1426652609.db2.gz CJLXXIQHIXASMB-SECBINFHSA-N 0 1 392.868 3.059 20 0 GGADMN C[C@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000824598070 1426656591 /nfs/dbraw/zinc/65/65/91/1426656591.db2.gz BABXYCOFEUNSEN-LBPRGKRZSA-N 0 1 375.379 3.198 20 0 GGADMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(F)cc1 ZINC000822021035 1426672687 /nfs/dbraw/zinc/67/26/87/1426672687.db2.gz SPZAVZWRQRBEMH-QWHCGFSZSA-N 0 1 392.442 3.307 20 0 GGADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2CCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736780586 1426673225 /nfs/dbraw/zinc/67/32/25/1426673225.db2.gz RIJXOXFNOLQJPE-FQEVSTJZSA-N 0 1 378.480 3.149 20 0 GGADMN CC[C@@](C)(NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 ZINC000173508034 1426677792 /nfs/dbraw/zinc/67/77/92/1426677792.db2.gz YXRNLJBKJMZONJ-GOSISDBHSA-N 0 1 395.550 3.180 20 0 GGADMN CC1(C)C[C@@H](NCc2cc(-c3nnn[n-]3)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000824789262 1426681532 /nfs/dbraw/zinc/68/15/32/1426681532.db2.gz GHNCHAPNUUBHFI-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H](NCc2cc(-c3nnn[n-]3)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000824789262 1426681535 /nfs/dbraw/zinc/68/15/35/1426681535.db2.gz GHNCHAPNUUBHFI-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CN1Cc1ccccc1 ZINC000824789262 1426681537 /nfs/dbraw/zinc/68/15/37/1426681537.db2.gz GHNCHAPNUUBHFI-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H](NCc2cc(-c3nn[n-]n3)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000824789262 1426681540 /nfs/dbraw/zinc/68/15/40/1426681540.db2.gz GHNCHAPNUUBHFI-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H](NCc2cc(-c3nn[n-]n3)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000824789262 1426681544 /nfs/dbraw/zinc/68/15/44/1426681544.db2.gz GHNCHAPNUUBHFI-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964877 1426690676 /nfs/dbraw/zinc/69/06/76/1426690676.db2.gz RQZBRJHUTDWDGF-HXUWFJFHSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964877 1426690679 /nfs/dbraw/zinc/69/06/79/1426690679.db2.gz RQZBRJHUTDWDGF-HXUWFJFHSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964877 1426690683 /nfs/dbraw/zinc/69/06/83/1426690683.db2.gz RQZBRJHUTDWDGF-HXUWFJFHSA-N 0 1 388.475 3.347 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2F)CC1 ZINC000821583127 1426690879 /nfs/dbraw/zinc/69/08/79/1426690879.db2.gz JGXBKOZKCGGDJX-UHFFFAOYSA-N 0 1 395.486 3.148 20 0 GGADMN CC(C)Nc1ccc(F)cc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173519406 1426691716 /nfs/dbraw/zinc/69/17/16/1426691716.db2.gz NVMFDCZVXWNDLI-UHFFFAOYSA-N 0 1 385.487 3.192 20 0 GGADMN CCC[NH+]1CCC(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825326400 1426695100 /nfs/dbraw/zinc/69/51/00/1426695100.db2.gz DBJIDEFOTZOSOQ-UHFFFAOYSA-N 0 1 397.310 3.025 20 0 GGADMN Cn1cccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1=O ZINC000173526138 1426699582 /nfs/dbraw/zinc/69/95/82/1426699582.db2.gz FTBAQADBEFYVTE-UHFFFAOYSA-N 0 1 388.899 3.072 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)CCN1Cc1ccccc1 ZINC000173526176 1426700043 /nfs/dbraw/zinc/70/00/43/1426700043.db2.gz UISLYJVGAZBAOM-QGZVFWFLSA-N 0 1 395.532 3.125 20 0 GGADMN C[C@@H]1CCN(C(=O)CSC[C@@H]2CCCCO2)CCN1Cc1ccccc1 ZINC000173528160 1426701098 /nfs/dbraw/zinc/70/10/98/1426701098.db2.gz GDVVVOUOOXNYKB-QUCCMNQESA-N 0 1 376.566 3.412 20 0 GGADMN CCC(CC)(CO)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825089242 1426701935 /nfs/dbraw/zinc/70/19/35/1426701935.db2.gz AFDGPXFEWPKEPO-UHFFFAOYSA-N 0 1 395.507 3.334 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CCN1Cc1ccccc1 ZINC000173530702 1426705166 /nfs/dbraw/zinc/70/51/66/1426705166.db2.gz ROMUOUMMVKTHJA-LJQANCHMSA-N 0 1 389.503 3.063 20 0 GGADMN C[C@@H]1SCC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000820819980 1426716256 /nfs/dbraw/zinc/71/62/56/1426716256.db2.gz LSCNEPGYRQBFMY-JVPBZIDWSA-N 0 1 381.505 3.079 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](c3cc[nH]n3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173551625 1426724254 /nfs/dbraw/zinc/72/42/54/1426724254.db2.gz UDEPUKRQWMOOKK-KSSFIOAISA-N 0 1 390.434 3.386 20 0 GGADMN CC[N@@H+](CCC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)CC(C)C ZINC000825420046 1426725841 /nfs/dbraw/zinc/72/58/41/1426725841.db2.gz ZDKVOCLDIKFISH-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN CC[N@H+](CCC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)CC(C)C ZINC000825420046 1426725856 /nfs/dbraw/zinc/72/58/56/1426725856.db2.gz ZDKVOCLDIKFISH-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN CC[N@@H+](CCC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)CC(C)C ZINC000825420046 1426725865 /nfs/dbraw/zinc/72/58/65/1426725865.db2.gz ZDKVOCLDIKFISH-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000173555893 1426727787 /nfs/dbraw/zinc/72/77/87/1426727787.db2.gz GHRVLKGIKZKUIO-BBRMVZONSA-N 0 1 393.413 3.489 20 0 GGADMN C[C@@H](O)CC(C)(C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000173557672 1426728627 /nfs/dbraw/zinc/72/86/27/1426728627.db2.gz MBNWNXCOJAPIGW-OAHLLOKOSA-N 0 1 381.948 3.401 20 0 GGADMN C[C@](O)(CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccco1 ZINC000173558197 1426729809 /nfs/dbraw/zinc/72/98/09/1426729809.db2.gz UNPSGKVXWMKEHA-FQEVSTJZSA-N 0 1 391.899 3.104 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000173561003 1426731036 /nfs/dbraw/zinc/73/10/36/1426731036.db2.gz GENJATFRNZYUKT-KXBFYZLASA-N 0 1 390.553 3.358 20 0 GGADMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)ccc1-n1cncn1 ZINC000173560814 1426731135 /nfs/dbraw/zinc/73/11/35/1426731135.db2.gz GZIHPJRETNYVQR-UHFFFAOYSA-N 0 1 389.503 3.312 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CCC[C@H]4CCC[C@@H]43)nc2c1 ZINC000173560991 1426731201 /nfs/dbraw/zinc/73/12/01/1426731201.db2.gz GENJATFRNZYUKT-BEFAXECRSA-N 0 1 390.553 3.358 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000173566009 1426734538 /nfs/dbraw/zinc/73/45/38/1426734538.db2.gz DQAYENVWYIODRD-CTNGQTDRSA-N 0 1 396.539 3.330 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000173566037 1426734915 /nfs/dbraw/zinc/73/49/15/1426734915.db2.gz DQAYENVWYIODRD-TZIWHRDSSA-N 0 1 396.539 3.330 20 0 GGADMN C[C@H](O)CCN(C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000173569801 1426737524 /nfs/dbraw/zinc/73/75/24/1426737524.db2.gz JHEVUSUJEBCOST-PXNSSMCTSA-N 0 1 379.504 3.119 20 0 GGADMN C[C@@H](O)CCN(C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000173569815 1426737620 /nfs/dbraw/zinc/73/76/20/1426737620.db2.gz JHEVUSUJEBCOST-XLIONFOSSA-N 0 1 379.504 3.119 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821000670 1426740726 /nfs/dbraw/zinc/74/07/26/1426740726.db2.gz HTTGUVGVQRGNMQ-INIZCTEOSA-N 0 1 380.452 3.024 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821000670 1426740731 /nfs/dbraw/zinc/74/07/31/1426740731.db2.gz HTTGUVGVQRGNMQ-INIZCTEOSA-N 0 1 380.452 3.024 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC(C(C)C)CC1 ZINC000173585816 1426750164 /nfs/dbraw/zinc/75/01/64/1426750164.db2.gz DRUVZVLMDSTYQK-UHFFFAOYSA-N 0 1 392.569 3.175 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000173589152 1426752460 /nfs/dbraw/zinc/75/24/60/1426752460.db2.gz UYOFRFHCKPVFLH-GUDVDZBRSA-N 0 1 396.362 3.335 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000173592615 1426756239 /nfs/dbraw/zinc/75/62/39/1426756239.db2.gz GWXQOLBWPYNWCT-AWEZNQCLSA-N 0 1 391.437 3.137 20 0 GGADMN CCS(=O)(=O)c1ccccc1C(=O)NCC[C@H](C)N(C)Cc1ccccc1 ZINC000173598822 1426764960 /nfs/dbraw/zinc/76/49/60/1426764960.db2.gz JGWBZSLVXXQHHZ-KRWDZBQOSA-N 0 1 388.533 3.121 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000173598755 1426765885 /nfs/dbraw/zinc/76/58/85/1426765885.db2.gz QVEMYHWMPMHCAD-TZIWHRDSSA-N 0 1 391.531 3.147 20 0 GGADMN Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000826293831 1426768980 /nfs/dbraw/zinc/76/89/80/1426768980.db2.gz CEEVTEOGGMVEOH-JOCHJYFZSA-N 0 1 388.519 3.417 20 0 GGADMN CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821619170 1426769379 /nfs/dbraw/zinc/76/93/79/1426769379.db2.gz LSBPIPLXRTYYMX-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN Cc1c(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822089314 1426771559 /nfs/dbraw/zinc/77/15/59/1426771559.db2.gz CFHHMMJLWHBOKV-UHFFFAOYSA-N 0 1 383.500 3.094 20 0 GGADMN Cc1nc(-c2cccc(C(=O)N3CCN(CC4CCOCC4)CC3)c2)cs1 ZINC000173604400 1426776785 /nfs/dbraw/zinc/77/67/85/1426776785.db2.gz GBYMEEBCRRFFJW-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(Cl)c1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825866127 1426777481 /nfs/dbraw/zinc/77/74/81/1426777481.db2.gz RPBUSHFCEKMXSD-UHFFFAOYSA-N 0 1 398.323 3.198 20 0 GGADMN C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000736125713 1426778367 /nfs/dbraw/zinc/77/83/67/1426778367.db2.gz YSGSJDNZVUDACU-OAHLLOKOSA-N 0 1 392.507 3.240 20 0 GGADMN O=C1[C@H](N2CCC(c3cc[nH]n3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173606062 1426780665 /nfs/dbraw/zinc/78/06/65/1426780665.db2.gz BJJRWFDIHZYKKT-GOSISDBHSA-N 0 1 390.434 3.386 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000173610485 1426785648 /nfs/dbraw/zinc/78/56/48/1426785648.db2.gz WPYPXZALHGNSOR-ZIAGYGMSSA-N 0 1 385.430 3.353 20 0 GGADMN Cc1ccc(C(=O)NCC[C@@H](C)N(C)Cc2ccccc2)cc1S(C)(=O)=O ZINC000173614257 1426792891 /nfs/dbraw/zinc/79/28/91/1426792891.db2.gz PCICMSITJVKYKD-QGZVFWFLSA-N 0 1 388.533 3.039 20 0 GGADMN COc1ccc(C[NH+]2CCC(CNc3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737090329 1426795980 /nfs/dbraw/zinc/79/59/80/1426795980.db2.gz FRQRQFUMVQBVKF-UHFFFAOYSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cnccc2-c2nn[n-]n2)C1 ZINC000824874577 1426796370 /nfs/dbraw/zinc/79/63/70/1426796370.db2.gz DXWWSDULXDKKML-HZPDHXFCSA-N 0 1 377.496 3.352 20 0 GGADMN c1ccc(-c2nnc(CC[NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)o2)cc1 ZINC000826519477 1426802498 /nfs/dbraw/zinc/80/24/98/1426802498.db2.gz ZXWNRHXAINSRRE-SFHVURJKSA-N 0 1 387.447 3.126 20 0 GGADMN Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822304060 1426805737 /nfs/dbraw/zinc/80/57/37/1426805737.db2.gz PCRZVVAERLQUMO-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173642182 1426807305 /nfs/dbraw/zinc/80/73/05/1426807305.db2.gz MKDZVTMWBJAOQF-HNNXBMFYSA-N 0 1 386.462 3.187 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)c(C)c1 ZINC000173653710 1426811156 /nfs/dbraw/zinc/81/11/56/1426811156.db2.gz WRCLYFGAKMLCDO-HXUWFJFHSA-N 0 1 395.503 3.490 20 0 GGADMN C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824593265 1426811512 /nfs/dbraw/zinc/81/15/12/1426811512.db2.gz PXKMGQYZCUADGB-CYBMUJFWSA-N 0 1 383.427 3.060 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000173659831 1426812605 /nfs/dbraw/zinc/81/26/05/1426812605.db2.gz ITLBURVMOPTJCT-IBGZPJMESA-N 0 1 382.439 3.257 20 0 GGADMN CCOc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1OC ZINC000173668030 1426815275 /nfs/dbraw/zinc/81/52/75/1426815275.db2.gz DKONVSPJFBVAHI-UHFFFAOYSA-N 0 1 383.492 3.094 20 0 GGADMN COCCOCc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)ccc1F ZINC000173673006 1426816785 /nfs/dbraw/zinc/81/67/85/1426816785.db2.gz CVRNWLVTIAROHZ-UHFFFAOYSA-N 0 1 384.411 3.335 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C)(C)C2)c1 ZINC000173675779 1426817925 /nfs/dbraw/zinc/81/79/25/1426817925.db2.gz XVMVPMQRHOOTPZ-UHFFFAOYSA-N 0 1 388.489 3.368 20 0 GGADMN CCC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C[C@H]1COc2ccccc2O1 ZINC000736478641 1426818109 /nfs/dbraw/zinc/81/81/09/1426818109.db2.gz BQLWLABWTXVNMO-INIZCTEOSA-N 0 1 383.427 3.058 20 0 GGADMN CCC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C[C@H]1COc2ccccc2O1 ZINC000736478641 1426818116 /nfs/dbraw/zinc/81/81/16/1426818116.db2.gz BQLWLABWTXVNMO-INIZCTEOSA-N 0 1 383.427 3.058 20 0 GGADMN CCC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C[C@H]1COc2ccccc2O1 ZINC000736478641 1426818119 /nfs/dbraw/zinc/81/81/19/1426818119.db2.gz BQLWLABWTXVNMO-INIZCTEOSA-N 0 1 383.427 3.058 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1ccc(OC(C)(C)C)cc1)N1CCN(C)CC1 ZINC000173677410 1426818440 /nfs/dbraw/zinc/81/84/40/1426818440.db2.gz ZKSGBMVJSBBKRB-LJQANCHMSA-N 0 1 376.545 3.257 20 0 GGADMN CC(C)(C)Oc1ccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000173680891 1426819355 /nfs/dbraw/zinc/81/93/55/1426819355.db2.gz FBZHJRJJBLWMHE-FQEVSTJZSA-N 0 1 397.519 3.405 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736267251 1426822842 /nfs/dbraw/zinc/82/28/42/1426822842.db2.gz MLYCXCDPWXLOKZ-JKSUJKDBSA-N 0 1 399.568 3.150 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736267251 1426822847 /nfs/dbraw/zinc/82/28/47/1426822847.db2.gz MLYCXCDPWXLOKZ-JKSUJKDBSA-N 0 1 399.568 3.150 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736267251 1426822855 /nfs/dbraw/zinc/82/28/55/1426822855.db2.gz MLYCXCDPWXLOKZ-JKSUJKDBSA-N 0 1 399.568 3.150 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC000173707498 1426827647 /nfs/dbraw/zinc/82/76/47/1426827647.db2.gz DQTLOILHQNDYAC-UHFFFAOYSA-N 0 1 397.519 3.324 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000173707683 1426827812 /nfs/dbraw/zinc/82/78/12/1426827812.db2.gz UKRFCEJPBMHXJJ-IBGZPJMESA-N 0 1 384.549 3.309 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)n[nH]1 ZINC000173709187 1426828064 /nfs/dbraw/zinc/82/80/64/1426828064.db2.gz YDFPAVGONIOBHX-DJJJIMSYSA-N 0 1 379.464 3.029 20 0 GGADMN c1cnn(Cc2ccc(C[NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)c1 ZINC000826526344 1426829251 /nfs/dbraw/zinc/82/92/51/1426829251.db2.gz UZFMJVFIXUISDX-NRFANRHFSA-N 0 1 385.475 3.279 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000173715615 1426829918 /nfs/dbraw/zinc/82/99/18/1426829918.db2.gz LICDCCNZAHILGK-KRWDZBQOSA-N 0 1 395.532 3.125 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1 ZINC000173718775 1426830538 /nfs/dbraw/zinc/83/05/38/1426830538.db2.gz OWMJDYHMHOYLKA-UHFFFAOYSA-N 0 1 378.432 3.348 20 0 GGADMN COc1ccc(Oc2ccc(NC(=O)N3CCN(CC4CC4)CC3)cn2)cc1 ZINC000173718227 1426830712 /nfs/dbraw/zinc/83/07/12/1426830712.db2.gz ZTYNQTRBIDJGED-UHFFFAOYSA-N 0 1 382.464 3.442 20 0 GGADMN Cn1ccc(N2CCC[C@H](N3CCC(c4c[nH]c5cc(F)ccc54)CC3)C2=O)n1 ZINC000173723868 1426831816 /nfs/dbraw/zinc/83/18/16/1426831816.db2.gz HRLWDCSTAISVKP-FQEVSTJZSA-N 0 1 395.482 3.416 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000173727130 1426832592 /nfs/dbraw/zinc/83/25/92/1426832592.db2.gz OTNKVEGXTZMROA-SFHVURJKSA-N 0 1 384.476 3.402 20 0 GGADMN O=c1[nH]c2ccccc2cc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826501412 1426832779 /nfs/dbraw/zinc/83/27/79/1426832779.db2.gz OXBICYOUVAFZJE-UHFFFAOYSA-N 0 1 384.443 3.410 20 0 GGADMN COCCOC[C@H]1CCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000173728651 1426832894 /nfs/dbraw/zinc/83/28/94/1426832894.db2.gz HJCDSYHRVMZYNB-HNNXBMFYSA-N 0 1 392.521 3.312 20 0 GGADMN CCc1cc2oc(=O)cc(CN3CC[C@@H](COCCOC)C3)c2cc1Cl ZINC000173731312 1426833982 /nfs/dbraw/zinc/83/39/82/1426833982.db2.gz UYJWRDKBQVSLLT-CQSZACIVSA-N 0 1 379.884 3.494 20 0 GGADMN COCCOC[C@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000173732389 1426834108 /nfs/dbraw/zinc/83/41/08/1426834108.db2.gz IKUWDKACWQGOAK-AWEZNQCLSA-N 0 1 378.494 3.009 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000173732378 1426834237 /nfs/dbraw/zinc/83/42/37/1426834237.db2.gz IKUWDKACWQGOAK-CQSZACIVSA-N 0 1 378.494 3.009 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC[C@H](CNC(=O)C(C)(C)C)C3)C2=O)cc1 ZINC000173737952 1426835720 /nfs/dbraw/zinc/83/57/20/1426835720.db2.gz LOBIYOUVXXESHW-UYAOXDASSA-N 0 1 385.552 3.365 20 0 GGADMN COc1cccc([C@@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)[NH+](C)C)c1 ZINC000826214497 1426836095 /nfs/dbraw/zinc/83/60/95/1426836095.db2.gz NLTWOFAENPVOHK-LJQANCHMSA-N 0 1 389.463 3.138 20 0 GGADMN CC1([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCOCC1 ZINC000824837622 1426836790 /nfs/dbraw/zinc/83/67/90/1426836790.db2.gz HSQPCPBZGDBHII-UHFFFAOYSA-N 0 1 379.464 3.104 20 0 GGADMN CO[C@@H](CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000173750859 1426839808 /nfs/dbraw/zinc/83/98/08/1426839808.db2.gz VUMNEVMKIGAWBY-QKLQHJQFSA-N 0 1 391.556 3.156 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000173750690 1426839831 /nfs/dbraw/zinc/83/98/31/1426839831.db2.gz WFSSGFYZEGFHTN-KRWDZBQOSA-N 0 1 397.544 3.441 20 0 GGADMN COc1ccc([C@H](C)[NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000826187641 1426840875 /nfs/dbraw/zinc/84/08/75/1426840875.db2.gz AFIZDRDEPDXMFQ-AWEZNQCLSA-N 0 1 383.452 3.004 20 0 GGADMN CN(CCc1cccs1)CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000173757162 1426841639 /nfs/dbraw/zinc/84/16/39/1426841639.db2.gz WOPGHZYURCRNLV-UHFFFAOYSA-N 0 1 386.439 3.480 20 0 GGADMN CCOc1cccc2cc([C@H](C)N[C@@H]3CCCN(c4cnn(C)c4)C3=O)oc21 ZINC000173765006 1426844214 /nfs/dbraw/zinc/84/42/14/1426844214.db2.gz NNXKLZFZWYTPCT-WMLDXEAASA-N 0 1 382.464 3.411 20 0 GGADMN Cc1ccc(C[C@@H](N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c2ccccn2)cc1 ZINC000173777915 1426848416 /nfs/dbraw/zinc/84/84/16/1426848416.db2.gz BRAPWRYUVICBIO-NHCUHLMSSA-N 0 1 389.503 3.193 20 0 GGADMN Cc1nc(SCCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)n[nH]1 ZINC000173791228 1426852255 /nfs/dbraw/zinc/85/22/55/1426852255.db2.gz KSSTWRMKNHTNSK-LJQANCHMSA-N 0 1 392.488 3.377 20 0 GGADMN COC(=O)[C@H](NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1F ZINC000173801396 1426855142 /nfs/dbraw/zinc/85/51/42/1426855142.db2.gz IXEHAFRDBBLDON-NHCUHLMSSA-N 0 1 386.467 3.475 20 0 GGADMN COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001139857497 1426855341 /nfs/dbraw/zinc/85/53/41/1426855341.db2.gz MIGXTLGJBVONAX-LJQANCHMSA-N 0 1 377.448 3.381 20 0 GGADMN Cc1cncc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1 ZINC000173806155 1426856194 /nfs/dbraw/zinc/85/61/94/1426856194.db2.gz IMBIIAOONINOEB-UHFFFAOYSA-N 0 1 387.487 3.360 20 0 GGADMN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1 ZINC000173814426 1426858736 /nfs/dbraw/zinc/85/87/36/1426858736.db2.gz JQINNLSRMAQOLX-LSDHHAIUSA-N 0 1 393.915 3.010 20 0 GGADMN COc1ccc(C)cc1NC(=O)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000173816142 1426858982 /nfs/dbraw/zinc/85/89/82/1426858982.db2.gz IOVVGOAVRJRVLT-GOSISDBHSA-N 0 1 395.503 3.065 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC000173816938 1426859030 /nfs/dbraw/zinc/85/90/30/1426859030.db2.gz UDNPSZWYVDYEES-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN CCn1c2ccccc2nc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000173816155 1426859101 /nfs/dbraw/zinc/85/91/01/1426859101.db2.gz MSVRSHBVTNAZCU-UHFFFAOYSA-N 0 1 377.492 3.056 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccco1 ZINC000173816198 1426859143 /nfs/dbraw/zinc/85/91/43/1426859143.db2.gz NMOWLWKPNQSYBJ-PXNSSMCTSA-N 0 1 391.899 3.277 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CCN1Cc1ccccc1 ZINC000173817137 1426859286 /nfs/dbraw/zinc/85/92/86/1426859286.db2.gz PNAHDJQILIOLGT-KRWDZBQOSA-N 0 1 390.487 3.229 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736903308 1426859468 /nfs/dbraw/zinc/85/94/68/1426859468.db2.gz ZLLGAIMLUNRTFU-SJLPKXTDSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736903308 1426859472 /nfs/dbraw/zinc/85/94/72/1426859472.db2.gz ZLLGAIMLUNRTFU-SJLPKXTDSA-N 0 1 397.866 3.224 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000173817355 1426859520 /nfs/dbraw/zinc/85/95/20/1426859520.db2.gz WQRAUKRIJDRNSB-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN Cc1cc2cc(C(=O)NCc3cccnc3N3CCN(C)CC3)oc2cc1C ZINC000173858163 1426872938 /nfs/dbraw/zinc/87/29/38/1426872938.db2.gz MAYXKFIAUPMEQP-UHFFFAOYSA-N 0 1 378.476 3.126 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)c2)CC1 ZINC000173858967 1426873224 /nfs/dbraw/zinc/87/32/24/1426873224.db2.gz RMRJMBWKRBTAOL-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN CC(C)C1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000173860054 1426873300 /nfs/dbraw/zinc/87/33/00/1426873300.db2.gz IYEQSWMGBJDBKB-UHFFFAOYSA-N 0 1 399.457 3.470 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000173867395 1426876098 /nfs/dbraw/zinc/87/60/98/1426876098.db2.gz SSEPMNXMGIEZIA-CABCVRRESA-N 0 1 393.944 3.465 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccco1 ZINC000173869289 1426876779 /nfs/dbraw/zinc/87/67/79/1426876779.db2.gz XPFANAKVTNTLOD-LJQANCHMSA-N 0 1 383.492 3.370 20 0 GGADMN C[C@H](c1cc(F)ccc1F)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173875885 1426878467 /nfs/dbraw/zinc/87/84/67/1426878467.db2.gz ITOSAHWLYJVENC-MRXNPFEDSA-N 0 1 388.462 3.092 20 0 GGADMN Cc1c(CSC(C)C)cccc1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000173877295 1426878812 /nfs/dbraw/zinc/87/88/12/1426878812.db2.gz DSAGCTZHBNLASB-INIZCTEOSA-N 0 1 378.586 3.394 20 0 GGADMN CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149356 1426880612 /nfs/dbraw/zinc/88/06/12/1426880612.db2.gz WQCACKZCWINMNM-QFBILLFUSA-N 0 1 396.539 3.431 20 0 GGADMN CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149356 1426880622 /nfs/dbraw/zinc/88/06/22/1426880622.db2.gz WQCACKZCWINMNM-QFBILLFUSA-N 0 1 396.539 3.431 20 0 GGADMN CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149356 1426880639 /nfs/dbraw/zinc/88/06/39/1426880639.db2.gz WQCACKZCWINMNM-QFBILLFUSA-N 0 1 396.539 3.431 20 0 GGADMN Cc1ccc(N2CCC[C@@H](NCc3ccccc3CN3CCCC3=O)C2=O)cc1 ZINC000173888417 1426881817 /nfs/dbraw/zinc/88/18/17/1426881817.db2.gz GAESLIRYKMJMNW-JOCHJYFZSA-N 0 1 391.515 3.403 20 0 GGADMN Cc1ccc(N2CCC[C@H](NCc3ccccc3CN3CCCC3=O)C2=O)cc1 ZINC000173888404 1426881842 /nfs/dbraw/zinc/88/18/42/1426881842.db2.gz GAESLIRYKMJMNW-QFIPXVFZSA-N 0 1 391.515 3.403 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000173898176 1426884568 /nfs/dbraw/zinc/88/45/68/1426884568.db2.gz IWEYZTJCANDRFO-DOMZBBRYSA-N 0 1 382.386 3.165 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000173900602 1426885082 /nfs/dbraw/zinc/88/50/82/1426885082.db2.gz KILCXWKKHPOMIK-NRFANRHFSA-N 0 1 380.492 3.487 20 0 GGADMN COC(=O)COc1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000173918094 1426891428 /nfs/dbraw/zinc/89/14/28/1426891428.db2.gz SUPBKAZFVBFNJX-FQEVSTJZSA-N 0 1 382.460 3.232 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000173920674 1426892801 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C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824617237 1426909116 /nfs/dbraw/zinc/90/91/16/1426909116.db2.gz FPNHHZRCGUCCAY-MRXNPFEDSA-N 0 1 390.491 3.344 20 0 GGADMN C[C@@H](NCC(=O)NCC(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000173959454 1426909803 /nfs/dbraw/zinc/90/98/03/1426909803.db2.gz LORNPJNLVFXKFQ-CYBMUJFWSA-N 0 1 379.382 3.268 20 0 GGADMN COc1cccc(O[C@@H](C)CNC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000173959021 1426909827 /nfs/dbraw/zinc/90/98/27/1426909827.db2.gz LERGXYUACFVMDD-WMLDXEAASA-N 0 1 377.510 3.126 20 0 GGADMN COc1cccc(O[C@H](C)CNC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000173959006 1426910064 /nfs/dbraw/zinc/91/00/64/1426910064.db2.gz LERGXYUACFVMDD-PBHICJAKSA-N 0 1 377.510 3.126 20 0 GGADMN Cc1ccc(C(C)(C)CN(C)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000173964629 1426913912 /nfs/dbraw/zinc/91/39/12/1426913912.db2.gz JMDYFCQHHIABMR-HXUWFJFHSA-N 0 1 375.534 3.342 20 0 GGADMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000173971522 1426916921 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GGADMN CS(=O)(=O)c1cccc(OCCN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000173982718 1426926311 /nfs/dbraw/zinc/92/63/11/1426926311.db2.gz ZNMCRYYGQAQFLF-LJQANCHMSA-N 0 1 389.517 3.008 20 0 GGADMN O=C(CC1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1)N1CCCC1 ZINC000173984777 1426927036 /nfs/dbraw/zinc/92/70/36/1426927036.db2.gz GEFGAQSETAQORX-QFIPXVFZSA-N 0 1 397.563 3.292 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000173984565 1426927170 /nfs/dbraw/zinc/92/71/70/1426927170.db2.gz ZRNAGFLSXGWESP-IBGZPJMESA-N 0 1 381.476 3.122 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCC[C@H]1C ZINC000173989565 1426929632 /nfs/dbraw/zinc/92/96/32/1426929632.db2.gz MOLDLBJFKYFWJA-MRXNPFEDSA-N 0 1 390.553 3.215 20 0 GGADMN O=C(CN1CC[C@@H](COCc2ccccc2)C1)NCC1(c2ccccc2)CC1 ZINC000173989555 1426929854 /nfs/dbraw/zinc/92/98/54/1426929854.db2.gz OQJHMTSIELELKW-OAQYLSRUSA-N 0 1 378.516 3.373 20 0 GGADMN C[C@@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)N1CCc2ccccc2C1 ZINC000174009439 1426940504 /nfs/dbraw/zinc/94/05/04/1426940504.db2.gz CCMLYRPONYLNDA-IBGZPJMESA-N 0 1 390.531 3.309 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000174013693 1426943197 /nfs/dbraw/zinc/94/31/97/1426943197.db2.gz VZEIEMAOCKBFKJ-IERDGZPVSA-N 0 1 377.488 3.413 20 0 GGADMN Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822791001 1426944736 /nfs/dbraw/zinc/94/47/36/1426944736.db2.gz CWEGOUXCUJCLDV-FQEVSTJZSA-N 0 1 378.455 3.252 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823674486 1426944933 /nfs/dbraw/zinc/94/49/33/1426944933.db2.gz QURNBXKANAYZHX-CTNGQTDRSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674486 1426944940 /nfs/dbraw/zinc/94/49/40/1426944940.db2.gz QURNBXKANAYZHX-CTNGQTDRSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674486 1426944943 /nfs/dbraw/zinc/94/49/43/1426944943.db2.gz QURNBXKANAYZHX-CTNGQTDRSA-N 0 1 393.491 3.224 20 0 GGADMN COCCCOc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826157194 1426945072 /nfs/dbraw/zinc/94/50/72/1426945072.db2.gz KZNXLISYYKBVOV-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826253448 1426949055 /nfs/dbraw/zinc/94/90/55/1426949055.db2.gz QTEIPCGJWQHDGB-UHFFFAOYSA-N 0 1 391.475 3.131 20 0 GGADMN CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000174023763 1426951078 /nfs/dbraw/zinc/95/10/78/1426951078.db2.gz QERCAEZBNYKYSM-MRXNPFEDSA-N 0 1 381.501 3.316 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)NCCc1csc2ccccc12 ZINC000174024841 1426952153 /nfs/dbraw/zinc/95/21/53/1426952153.db2.gz OSTZPHAQRGQBAG-UHFFFAOYSA-N 0 1 394.544 3.167 20 0 GGADMN CCSCC[C@H](C)N(C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000174027218 1426953794 /nfs/dbraw/zinc/95/37/94/1426953794.db2.gz MCMRRGYNAMJPRT-KRWDZBQOSA-N 0 1 397.629 3.137 20 0 GGADMN Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826310548 1426957438 /nfs/dbraw/zinc/95/74/38/1426957438.db2.gz YXWBEHBWUHKFQV-OALUTQOASA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310548 1426957442 /nfs/dbraw/zinc/95/74/42/1426957442.db2.gz YXWBEHBWUHKFQV-OALUTQOASA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310548 1426957446 /nfs/dbraw/zinc/95/74/46/1426957446.db2.gz YXWBEHBWUHKFQV-OALUTQOASA-N 0 1 389.507 3.061 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NS(=O)(=O)c3cc(F)ccc3F)n2)c1 ZINC000174034633 1426958250 /nfs/dbraw/zinc/95/82/50/1426958250.db2.gz UMHAMPVGYPXQMI-SNVBAGLBSA-N 0 1 395.387 3.063 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1F ZINC000174037898 1426960922 /nfs/dbraw/zinc/96/09/22/1426960922.db2.gz AVEBCNXSGKCNIP-MRXNPFEDSA-N 0 1 380.460 3.107 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174037846 1426961501 /nfs/dbraw/zinc/96/15/01/1426961501.db2.gz ILYDJKOKICYSHA-SFHVURJKSA-N 0 1 376.497 3.277 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3Cl)cc2)CC1 ZINC000174039416 1426962873 /nfs/dbraw/zinc/96/28/73/1426962873.db2.gz HCEHOFDWTUVJSA-UHFFFAOYSA-N 0 1 391.874 3.358 20 0 GGADMN CCO[C@@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000174041874 1426964146 /nfs/dbraw/zinc/96/41/46/1426964146.db2.gz HISLQEZGZGQTEW-JOCHJYFZSA-N 0 1 397.519 3.029 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)CCCc3ccccc3)cc2)CC1 ZINC000174041585 1426964216 /nfs/dbraw/zinc/96/42/16/1426964216.db2.gz KNLJOSQRYWAEEX-UHFFFAOYSA-N 0 1 381.520 3.274 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(F)cc2OC(F)F)C[C@H](C)O1 ZINC000174041908 1426964526 /nfs/dbraw/zinc/96/45/26/1426964526.db2.gz XZAVPGKLVYKOAU-RYUDHWBXSA-N 0 1 375.391 3.048 20 0 GGADMN CCc1sc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1C ZINC000174041181 1426964588 /nfs/dbraw/zinc/96/45/88/1426964588.db2.gz MUOVGPSOCDZCKE-UHFFFAOYSA-N 0 1 387.549 3.497 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1F ZINC000174040617 1426964692 /nfs/dbraw/zinc/96/46/92/1426964692.db2.gz AOZPWSMGFWERPG-QGZVFWFLSA-N 0 1 385.483 3.194 20 0 GGADMN Cc1ccc(SCC(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 ZINC000174042510 1426965119 /nfs/dbraw/zinc/96/51/19/1426965119.db2.gz CENYIFLRFDLFDD-UHFFFAOYSA-N 0 1 399.560 3.352 20 0 GGADMN CC[C@H](C)c1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)on1 ZINC000174043631 1426966452 /nfs/dbraw/zinc/96/64/52/1426966452.db2.gz KYEJEUYOZHWBJP-INIZCTEOSA-N 0 1 386.496 3.067 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cccc(F)c1F)c1nc(-c2cccc(F)c2)no1 ZINC000174043824 1426966784 /nfs/dbraw/zinc/96/67/84/1426966784.db2.gz GXGFBYPAYYXFQW-SECBINFHSA-N 0 1 383.351 3.193 20 0 GGADMN CCc1nsc(N2CCC[N@@H+](Cc3cc(=O)oc4cc(C)ccc34)CC2)n1 ZINC000174045367 1426967984 /nfs/dbraw/zinc/96/79/84/1426967984.db2.gz NWPBADQDHIZFRU-UHFFFAOYSA-N 0 1 384.505 3.228 20 0 GGADMN CCc1nsc(N2CCCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)n1 ZINC000174045367 1426967995 /nfs/dbraw/zinc/96/79/95/1426967995.db2.gz NWPBADQDHIZFRU-UHFFFAOYSA-N 0 1 384.505 3.228 20 0 GGADMN CC(=O)c1ccccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000174045760 1426968254 /nfs/dbraw/zinc/96/82/54/1426968254.db2.gz SNHUFMKJKIBDSP-UHFFFAOYSA-N 0 1 379.504 3.221 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000174046410 1426968874 /nfs/dbraw/zinc/96/88/74/1426968874.db2.gz FSEOEEPYRVMTMT-UHFFFAOYSA-N 0 1 387.911 3.147 20 0 GGADMN CCCCSCCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174046172 1426969181 /nfs/dbraw/zinc/96/91/81/1426969181.db2.gz WQLYZWLGQKYSAG-UHFFFAOYSA-N 0 1 379.570 3.175 20 0 GGADMN CCOc1ccccc1OCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174055202 1426975713 /nfs/dbraw/zinc/97/57/13/1426975713.db2.gz PCTXJTVCCWNPKZ-UHFFFAOYSA-N 0 1 382.460 3.479 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)[nH]n1 ZINC000174060904 1426979979 /nfs/dbraw/zinc/97/99/79/1426979979.db2.gz IGUPVOCHQWKRHO-ZDUSSCGKSA-N 0 1 378.480 3.160 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680729 1426980011 /nfs/dbraw/zinc/98/00/11/1426980011.db2.gz AGUQTRUOAXSBDT-GMAHTHKFSA-N 0 1 389.503 3.270 20 0 GGADMN O[C@@H](C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680729 1426980014 /nfs/dbraw/zinc/98/00/14/1426980014.db2.gz AGUQTRUOAXSBDT-GMAHTHKFSA-N 0 1 389.503 3.270 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680729 1426980018 /nfs/dbraw/zinc/98/00/18/1426980018.db2.gz AGUQTRUOAXSBDT-GMAHTHKFSA-N 0 1 389.503 3.270 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)[nH]n1 ZINC000174060893 1426980129 /nfs/dbraw/zinc/98/01/29/1426980129.db2.gz IGUPVOCHQWKRHO-CYBMUJFWSA-N 0 1 378.480 3.160 20 0 GGADMN O=C(Nc1ccc(F)cc1OC(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000174060155 1426980141 /nfs/dbraw/zinc/98/01/41/1426980141.db2.gz AAAUBMMEUWSDSY-UHFFFAOYSA-N 0 1 387.402 3.003 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)[nH]1 ZINC000174071176 1426986326 /nfs/dbraw/zinc/98/63/26/1426986326.db2.gz PBYGGVMHSHQZLF-UHFFFAOYSA-N 0 1 387.509 3.215 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)n1 ZINC000174071176 1426986333 /nfs/dbraw/zinc/98/63/33/1426986333.db2.gz PBYGGVMHSHQZLF-UHFFFAOYSA-N 0 1 387.509 3.215 20 0 GGADMN COCCOc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c(C)c1 ZINC000174076104 1426989384 /nfs/dbraw/zinc/98/93/84/1426989384.db2.gz FZXZIGMPHPADAK-UHFFFAOYSA-N 0 1 397.519 3.020 20 0 GGADMN CC(C)([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000824167915 1426992581 /nfs/dbraw/zinc/99/25/81/1426992581.db2.gz WANKAEOCKRXQEB-UHFFFAOYSA-N 0 1 392.435 3.060 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)[nH]1 ZINC000174091618 1426996613 /nfs/dbraw/zinc/99/66/13/1426996613.db2.gz QUVJOAOMMJLCRO-UHFFFAOYSA-N 0 1 381.461 3.121 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)n1 ZINC000174091618 1426996618 /nfs/dbraw/zinc/99/66/18/1426996618.db2.gz QUVJOAOMMJLCRO-UHFFFAOYSA-N 0 1 381.461 3.121 20 0 GGADMN CC(C)COc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174095816 1427001030 /nfs/dbraw/zinc/00/10/30/1427001030.db2.gz CROLPGYWBDJPRO-UHFFFAOYSA-N 0 1 382.508 3.267 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccnc1OCC(F)(F)F ZINC000174097365 1427001410 /nfs/dbraw/zinc/00/14/10/1427001410.db2.gz RQCBNIGTQZPFHJ-UHFFFAOYSA-N 0 1 394.353 3.195 20 0 GGADMN CN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174100252 1427002287 /nfs/dbraw/zinc/00/22/87/1427002287.db2.gz HXCZRMDTTPQSTL-HXUWFJFHSA-N 0 1 390.487 3.315 20 0 GGADMN COCCOC[C@H]1CCN(Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000174101991 1427002883 /nfs/dbraw/zinc/00/28/83/1427002883.db2.gz MQLJJKGITDZRAL-HNNXBMFYSA-N 0 1 392.521 3.312 20 0 GGADMN COCCOC[C@H]1CCN(Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000174105085 1427004214 /nfs/dbraw/zinc/00/42/14/1427004214.db2.gz PNXXVYWGONNPPX-SFHVURJKSA-N 0 1 377.916 3.378 20 0 GGADMN COCCOC[C@H]1CCN(Cc2csc(-c3cccc(C(=O)OC)c3)n2)C1 ZINC000174108951 1427005313 /nfs/dbraw/zinc/00/53/13/1427005313.db2.gz OTZASVUPZLMPGC-HNNXBMFYSA-N 0 1 390.505 3.082 20 0 GGADMN COCCOC[C@H]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000174109037 1427005584 /nfs/dbraw/zinc/00/55/84/1427005584.db2.gz AAVIHYOMYHZDNX-UWJYYQICSA-N 0 1 386.467 3.490 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)n(C)n1 ZINC000174109620 1427006094 /nfs/dbraw/zinc/00/60/94/1427006094.db2.gz JMVSPOSLONBSLU-UHFFFAOYSA-N 0 1 384.461 3.090 20 0 GGADMN CC[NH+](CC)C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825411641 1427006830 /nfs/dbraw/zinc/00/68/30/1427006830.db2.gz AERDUCMFINURJF-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174112099 1427007143 /nfs/dbraw/zinc/00/71/43/1427007143.db2.gz NXMGZPUECHDIAB-CEXWTWQISA-N 0 1 385.512 3.486 20 0 GGADMN CCCn1cc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000174117414 1427009285 /nfs/dbraw/zinc/00/92/85/1427009285.db2.gz LSJRTXKCYKEKIM-CALCHBBNSA-N 0 1 385.512 3.224 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C12CCC2 ZINC000174118797 1427009558 /nfs/dbraw/zinc/00/95/58/1427009558.db2.gz KUQSWJJDBSLSJD-PMACEKPBSA-N 0 1 389.515 3.437 20 0 GGADMN CC(C)C[C@H](CCO)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000174119338 1427010658 /nfs/dbraw/zinc/01/06/58/1427010658.db2.gz GHZVIULAKBLLIN-SFHVURJKSA-N 0 1 379.520 3.134 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545896 1427011952 /nfs/dbraw/zinc/01/19/52/1427011952.db2.gz FFSOGBANTFRCLI-BBRMVZONSA-N 0 1 384.434 3.465 20 0 GGADMN NC(=NOCCOc1cccc(Cl)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174125936 1427012386 /nfs/dbraw/zinc/01/23/86/1427012386.db2.gz XQIPTCQPXVIMMM-UHFFFAOYSA-N 0 1 389.883 3.017 20 0 GGADMN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000174134240 1427016229 /nfs/dbraw/zinc/01/62/29/1427016229.db2.gz VILYDKBBWZLJKD-MRXNPFEDSA-N 0 1 386.448 3.103 20 0 GGADMN CCOC(=O)[C@@]1(CCSc2nc(-c3ccccc3F)n[nH]2)CCCC1=O ZINC000174135294 1427017014 /nfs/dbraw/zinc/01/70/14/1427017014.db2.gz SIUYPYROLWOWHB-GOSISDBHSA-N 0 1 377.441 3.396 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000174146700 1427021222 /nfs/dbraw/zinc/02/12/22/1427021222.db2.gz OAWFIMAYPDONEJ-KGLIPLIRSA-N 0 1 382.526 3.173 20 0 GGADMN CN(Cc1ccco1)Cc1ccccc1CN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000174155340 1427024056 /nfs/dbraw/zinc/02/40/56/1427024056.db2.gz JMJKMXSQMQFYKK-OAQYLSRUSA-N 0 1 381.451 3.367 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[C@H]1c1cccc(F)c1 ZINC000174157622 1427024793 /nfs/dbraw/zinc/02/47/93/1427024793.db2.gz AXCOSHQWHLBDKF-FQEVSTJZSA-N 0 1 382.483 3.097 20 0 GGADMN CO[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(F)cc1 ZINC000174159999 1427025683 /nfs/dbraw/zinc/02/56/83/1427025683.db2.gz DVJRBUXYXBIQJH-RTBURBONSA-N 0 1 377.435 3.254 20 0 GGADMN CO[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(F)cc1 ZINC000174159987 1427025907 /nfs/dbraw/zinc/02/59/07/1427025907.db2.gz DVJRBUXYXBIQJH-RBUKOAKNSA-N 0 1 377.435 3.254 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)Cc3nnc[nH]3)c3cnn(C(C)C)c3n2)s1 ZINC000174160761 1427026800 /nfs/dbraw/zinc/02/68/00/1427026800.db2.gz FJXHPDGEHIWXTR-UHFFFAOYSA-N 0 1 395.492 3.439 20 0 GGADMN Cc1nsc(N2CCCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)n1 ZINC000174163800 1427028255 /nfs/dbraw/zinc/02/82/55/1427028255.db2.gz DNZGJGIGSSCOQW-UHFFFAOYSA-N 0 1 397.907 3.180 20 0 GGADMN CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2nnc[nH]2)cc1 ZINC000174164139 1427028745 /nfs/dbraw/zinc/02/87/45/1427028745.db2.gz CFYQDSFGTCKITA-UHFFFAOYSA-N 0 1 386.459 3.492 20 0 GGADMN C[C@@H](CC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174169256 1427030657 /nfs/dbraw/zinc/03/06/57/1427030657.db2.gz NJTAYFCVMNWFSQ-HOTGVXAUSA-N 0 1 384.442 3.380 20 0 GGADMN CCCC[C@H](NCc1cccc(NC(=O)N(C)C)c1)C(=O)Nc1cc(C)on1 ZINC000174172727 1427031971 /nfs/dbraw/zinc/03/19/71/1427031971.db2.gz SOMJLXJDXZOFDK-KRWDZBQOSA-N 0 1 387.484 3.364 20 0 GGADMN C[C@H](CC(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000174171111 1427032353 /nfs/dbraw/zinc/03/23/53/1427032353.db2.gz JRQMWFKTIBSWJD-HZPDHXFCSA-N 0 1 384.442 3.380 20 0 GGADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174173772 1427032970 /nfs/dbraw/zinc/03/29/70/1427032970.db2.gz SSESDLCNNRISDO-HUUCEWRRSA-N 0 1 376.888 3.105 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCCC[C@@H]1CN1CCOCC1)c1cc2ccccc2o1 ZINC000174177601 1427034558 /nfs/dbraw/zinc/03/45/58/1427034558.db2.gz LZBSOERBLAQIJK-CMKODMSKSA-N 0 1 399.535 3.185 20 0 GGADMN CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825411915 1427034713 /nfs/dbraw/zinc/03/47/13/1427034713.db2.gz HMGNBDSKDYDADI-UHFFFAOYSA-N 0 1 385.516 3.233 20 0 GGADMN CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000174181584 1427035785 /nfs/dbraw/zinc/03/57/85/1427035785.db2.gz SKFVUECZSFYFGO-OAQYLSRUSA-N 0 1 379.504 3.059 20 0 GGADMN CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174184558 1427037047 /nfs/dbraw/zinc/03/70/47/1427037047.db2.gz DXZLRSVTANLMEL-WOJBJXKFSA-N 0 1 376.566 3.125 20 0 GGADMN CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174184572 1427037258 /nfs/dbraw/zinc/03/72/58/1427037258.db2.gz DXZLRSVTANLMEL-PMACEKPBSA-N 0 1 376.566 3.125 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174184841 1427037278 /nfs/dbraw/zinc/03/72/78/1427037278.db2.gz JOBDZMYCHYJVJP-NHCUHLMSSA-N 0 1 399.514 3.470 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174184855 1427037812 /nfs/dbraw/zinc/03/78/12/1427037812.db2.gz JOBDZMYCHYJVJP-RTWAWAEBSA-N 0 1 399.514 3.470 20 0 GGADMN C[NH+](C)C[C@@H]1CCCCN1C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000174187295 1427039323 /nfs/dbraw/zinc/03/93/23/1427039323.db2.gz BJMJVSDLTDSIEH-HNNXBMFYSA-N 0 1 393.944 3.204 20 0 GGADMN C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1 ZINC000174187306 1427039500 /nfs/dbraw/zinc/03/95/00/1427039500.db2.gz BJMJVSDLTDSIEH-OAHLLOKOSA-N 0 1 393.944 3.204 20 0 GGADMN CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820950891 1427039950 /nfs/dbraw/zinc/03/99/50/1427039950.db2.gz SEQBRBMVCPOEPT-SFHVURJKSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950891 1427039956 /nfs/dbraw/zinc/03/99/56/1427039956.db2.gz SEQBRBMVCPOEPT-SFHVURJKSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950891 1427039960 /nfs/dbraw/zinc/03/99/60/1427039960.db2.gz SEQBRBMVCPOEPT-SFHVURJKSA-N 0 1 376.892 3.361 20 0 GGADMN CCC(CC)(CNC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000174193468 1427043294 /nfs/dbraw/zinc/04/32/94/1427043294.db2.gz DGSSHINNWKBFLH-UHFFFAOYSA-N 0 1 387.568 3.498 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)[nH]1 ZINC000174193629 1427043327 /nfs/dbraw/zinc/04/33/27/1427043327.db2.gz NZCJHAAVEHBGRC-UHFFFAOYSA-N 0 1 387.509 3.106 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890638 1427044059 /nfs/dbraw/zinc/04/40/59/1427044059.db2.gz NMOGVNNTHOHGHT-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890638 1427044065 /nfs/dbraw/zinc/04/40/65/1427044065.db2.gz NMOGVNNTHOHGHT-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN O=C(COc1ccc(Oc2ccccc2)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174200744 1427047162 /nfs/dbraw/zinc/04/71/62/1427047162.db2.gz AQBZWLKPDYYKGZ-IBGZPJMESA-N 0 1 396.487 3.038 20 0 GGADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000174200094 1427047277 /nfs/dbraw/zinc/04/72/77/1427047277.db2.gz WRJSFELDYJUZLP-HTAPYJJXSA-N 0 1 384.524 3.324 20 0 GGADMN O=C(N1CC[C@@H](CN2CCOCC2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000174200822 1427047305 /nfs/dbraw/zinc/04/73/05/1427047305.db2.gz XPBKGMQPNLVUDH-KRWDZBQOSA-N 0 1 376.928 3.333 20 0 GGADMN Cc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826287485 1427047545 /nfs/dbraw/zinc/04/75/45/1427047545.db2.gz QKQAAXIRGUJLBW-UHFFFAOYSA-N 0 1 387.491 3.216 20 0 GGADMN COc1ccc2c(CN(C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2c1 ZINC000174207844 1427051062 /nfs/dbraw/zinc/05/10/62/1427051062.db2.gz AGCTUQAFWDGOBP-OAHLLOKOSA-N 0 1 388.464 3.243 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1cc(N2CCNC2=O)ccc1Cl ZINC000174210179 1427052561 /nfs/dbraw/zinc/05/25/61/1427052561.db2.gz GBROIUDPXZKORB-QGZVFWFLSA-N 0 1 399.878 3.301 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cn3)c2)CC1 ZINC000174214480 1427054703 /nfs/dbraw/zinc/05/47/03/1427054703.db2.gz SHGRRUGOUAENFV-UHFFFAOYSA-N 0 1 393.535 3.072 20 0 GGADMN COCCCOc1ccccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174219473 1427056486 /nfs/dbraw/zinc/05/64/86/1427056486.db2.gz PKAQWFYUFXYPMN-UHFFFAOYSA-N 0 1 397.519 3.102 20 0 GGADMN O=C(NCc1ccccc1N1CCOCC1)[C@H]1CCCCN1Cc1ccccc1 ZINC000174222055 1427057268 /nfs/dbraw/zinc/05/72/68/1427057268.db2.gz SCPVWFFAPODPKH-HSZRJFAPSA-N 0 1 393.531 3.194 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736287512 1427058961 /nfs/dbraw/zinc/05/89/61/1427058961.db2.gz PPSHGJMTGKKIHC-FUHWJXTLSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736287512 1427058968 /nfs/dbraw/zinc/05/89/68/1427058968.db2.gz PPSHGJMTGKKIHC-FUHWJXTLSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736287512 1427058974 /nfs/dbraw/zinc/05/89/74/1427058974.db2.gz PPSHGJMTGKKIHC-FUHWJXTLSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC[C@H]1c1ccccc1 ZINC000174230077 1427060403 /nfs/dbraw/zinc/06/04/03/1427060403.db2.gz FEPYLPHFWALBDN-XJKSGUPXSA-N 0 1 379.485 3.478 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC[C@@H]1c1ccccc1 ZINC000174230044 1427060694 /nfs/dbraw/zinc/06/06/94/1427060694.db2.gz FEPYLPHFWALBDN-BBRMVZONSA-N 0 1 379.485 3.478 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(Oc4ccccc4)ccn3)nc2)CC1 ZINC000174230327 1427060715 /nfs/dbraw/zinc/06/07/15/1427060715.db2.gz RUBGVCPWKMPORZ-UHFFFAOYSA-N 0 1 389.459 3.273 20 0 GGADMN C[N@H+](Cc1ccccc1-c1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736827455 1427063161 /nfs/dbraw/zinc/06/31/61/1427063161.db2.gz DGTMJLOLNVOWTF-OAQYLSRUSA-N 0 1 398.470 3.192 20 0 GGADMN C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736827455 1427063165 /nfs/dbraw/zinc/06/31/65/1427063165.db2.gz DGTMJLOLNVOWTF-OAQYLSRUSA-N 0 1 398.470 3.192 20 0 GGADMN O=C(NC1CC1)[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000174263926 1427074860 /nfs/dbraw/zinc/07/48/60/1427074860.db2.gz JMTNGMGITPKPMT-OAQYLSRUSA-N 0 1 396.441 3.303 20 0 GGADMN CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1C ZINC000821230379 1427077743 /nfs/dbraw/zinc/07/77/43/1427077743.db2.gz IYQHXWFGKGEMFS-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CC[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1C ZINC000821230379 1427077745 /nfs/dbraw/zinc/07/77/45/1427077745.db2.gz IYQHXWFGKGEMFS-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CC[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1C ZINC000821230379 1427077747 /nfs/dbraw/zinc/07/77/47/1427077747.db2.gz IYQHXWFGKGEMFS-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN C[C@@H](NC(=O)c1ccncc1Cl)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174271628 1427078531 /nfs/dbraw/zinc/07/85/31/1427078531.db2.gz ZUYAKJZIZPQXLA-CYBMUJFWSA-N 0 1 376.863 3.117 20 0 GGADMN C[C@H](NC(=O)c1ccncc1Cl)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174271616 1427078685 /nfs/dbraw/zinc/07/86/85/1427078685.db2.gz ZUYAKJZIZPQXLA-ZDUSSCGKSA-N 0 1 376.863 3.117 20 0 GGADMN CCN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000174280559 1427082640 /nfs/dbraw/zinc/08/26/40/1427082640.db2.gz GGJYOYQWCLGLFP-OAQYLSRUSA-N 0 1 391.533 3.223 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)[nH]1 ZINC000174281856 1427083132 /nfs/dbraw/zinc/08/31/32/1427083132.db2.gz LZBGPCJBLHGEMC-SNVBAGLBSA-N 0 1 388.415 3.414 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000826523054 1427085055 /nfs/dbraw/zinc/08/50/55/1427085055.db2.gz YWEXUYBDCBJMNQ-UHFFFAOYSA-N 0 1 398.474 3.375 20 0 GGADMN CC(C)OCc1cccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000174287135 1427085714 /nfs/dbraw/zinc/08/57/14/1427085714.db2.gz MYJQXACZEZPJCF-UHFFFAOYSA-N 0 1 382.508 3.157 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000174288198 1427086522 /nfs/dbraw/zinc/08/65/22/1427086522.db2.gz FDHBPAOWQMZHJK-GOSISDBHSA-N 0 1 375.513 3.220 20 0 GGADMN Cc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)nnn1-c1ccc(C)cc1 ZINC000174294725 1427089067 /nfs/dbraw/zinc/08/90/67/1427089067.db2.gz IEULNLIZCAYADR-UHFFFAOYSA-N 0 1 390.447 3.056 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)[nH]1 ZINC000174300200 1427091606 /nfs/dbraw/zinc/09/16/06/1427091606.db2.gz IWMZQYVNCIGQQK-UHFFFAOYSA-N 0 1 387.509 3.215 20 0 GGADMN CC1(C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCOCC1 ZINC000820618356 1427091842 /nfs/dbraw/zinc/09/18/42/1427091842.db2.gz AIYONWOWLBKPLG-UHFFFAOYSA-N 0 1 393.491 3.352 20 0 GGADMN COCc1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000174307875 1427094312 /nfs/dbraw/zinc/09/43/12/1427094312.db2.gz LPRRFBGSLFVUBX-UHFFFAOYSA-N 0 1 376.522 3.200 20 0 GGADMN COc1cc(CNCc2cc(C)c(C)cc2OC(F)F)ccc1OCC(N)=O ZINC000174315333 1427097874 /nfs/dbraw/zinc/09/78/74/1427097874.db2.gz AMATULXMLKGWFO-UHFFFAOYSA-N 0 1 394.418 3.067 20 0 GGADMN CCO[C@@H](CCNC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)C(C)C ZINC000174321120 1427100504 /nfs/dbraw/zinc/10/05/04/1427100504.db2.gz LNKRYVXONFWOJO-NRFANRHFSA-N 0 1 391.556 3.364 20 0 GGADMN O=C(Nc1cccc(CC(F)(F)F)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000174321295 1427100977 /nfs/dbraw/zinc/10/09/77/1427100977.db2.gz WUWQWUVREBDLDA-MRXNPFEDSA-N 0 1 385.430 3.368 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCOc2cccc(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC000822352437 1427101416 /nfs/dbraw/zinc/10/14/16/1427101416.db2.gz ZOQGDDYUFBYIMA-OXQOHEQNSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCOc2cccc(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC000822352437 1427101419 /nfs/dbraw/zinc/10/14/19/1427101419.db2.gz ZOQGDDYUFBYIMA-OXQOHEQNSA-N 0 1 379.464 3.016 20 0 GGADMN CCCCc1nc2ccc(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)cc2[nH]1 ZINC000174334166 1427105909 /nfs/dbraw/zinc/10/59/09/1427105909.db2.gz HIFPIRVDPHPTAT-UHFFFAOYSA-N 0 1 382.468 3.365 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCS[C@@H](C(C)C)C2)c(OC)c1 ZINC000174333145 1427106246 /nfs/dbraw/zinc/10/62/46/1427106246.db2.gz ZVQDIZJZENWERW-UYAOXDASSA-N 0 1 392.565 3.441 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000174341097 1427110193 /nfs/dbraw/zinc/11/01/93/1427110193.db2.gz AXNKCHVLYJSTGG-VQTJNVASSA-N 0 1 391.581 3.063 20 0 GGADMN O=C(NC1CC1)[C@@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(F)cc1 ZINC000174341838 1427110805 /nfs/dbraw/zinc/11/08/05/1427110805.db2.gz PNTUZICIBVJDJW-HNNXBMFYSA-N 0 1 387.402 3.453 20 0 GGADMN CC(C)c1nncn1CCNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000174343461 1427111523 /nfs/dbraw/zinc/11/15/23/1427111523.db2.gz ZVSRWKDGNBCGRD-UHFFFAOYSA-N 0 1 391.519 3.464 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000174349300 1427114651 /nfs/dbraw/zinc/11/46/51/1427114651.db2.gz SJEIVZXFKCLEBN-MSOLQXFVSA-N 0 1 398.594 3.415 20 0 GGADMN C[N@H+](Cc1ccccc1-c1ccccc1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736827453 1427115564 /nfs/dbraw/zinc/11/55/64/1427115564.db2.gz DGTMJLOLNVOWTF-NRFANRHFSA-N 0 1 398.470 3.192 20 0 GGADMN C[N@@H+](Cc1ccccc1-c1ccccc1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736827453 1427115566 /nfs/dbraw/zinc/11/55/66/1427115566.db2.gz DGTMJLOLNVOWTF-NRFANRHFSA-N 0 1 398.470 3.192 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1nc(C)cs1 ZINC000174353107 1427115878 /nfs/dbraw/zinc/11/58/78/1427115878.db2.gz FUCDHWDGPLWUJA-UHFFFAOYSA-N 0 1 375.498 3.246 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000174356464 1427117424 /nfs/dbraw/zinc/11/74/24/1427117424.db2.gz OBKUQOFWADOSGT-UHFFFAOYSA-N 0 1 398.850 3.408 20 0 GGADMN O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000174358264 1427118239 /nfs/dbraw/zinc/11/82/39/1427118239.db2.gz ZEJWAOUVQYJUSJ-IAGOWNOFSA-N 0 1 386.521 3.025 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431564 1427122021 /nfs/dbraw/zinc/12/20/21/1427122021.db2.gz GSGMPTXRSKVDEN-QWHCGFSZSA-N 0 1 392.529 3.053 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)[nH]1 ZINC000174368987 1427123988 /nfs/dbraw/zinc/12/39/88/1427123988.db2.gz VMOOQALGHCDGRZ-UHFFFAOYSA-N 0 1 381.461 3.486 20 0 GGADMN CCOc1ccc2c(c1)CN(C(=O)c1cccc(CN3CCN(C)CC3)c1)CC2 ZINC000174370625 1427125028 /nfs/dbraw/zinc/12/50/28/1427125028.db2.gz LOCFVVIHXKFJDC-UHFFFAOYSA-N 0 1 393.531 3.031 20 0 GGADMN CN(C)[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1 ZINC000825848294 1427127183 /nfs/dbraw/zinc/12/71/83/1427127183.db2.gz BTIBEHUHKJYXMU-WOJBJXKFSA-N 0 1 380.471 3.276 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc21 ZINC000174387160 1427132855 /nfs/dbraw/zinc/13/28/55/1427132855.db2.gz OYERZSNHRWXHBZ-UHFFFAOYSA-N 0 1 381.461 3.483 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000174400164 1427139145 /nfs/dbraw/zinc/13/91/45/1427139145.db2.gz HCRPEPLIUGGNKD-ZIAGYGMSSA-N 0 1 391.562 3.208 20 0 GGADMN O=C(NCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccco1 ZINC000174403761 1427142558 /nfs/dbraw/zinc/14/25/58/1427142558.db2.gz WSLDEOBVBGIVPQ-INIZCTEOSA-N 0 1 378.856 3.010 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822595710 1427149722 /nfs/dbraw/zinc/14/97/22/1427149722.db2.gz BURRMMSXKKNHIS-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822595710 1427149724 /nfs/dbraw/zinc/14/97/24/1427149724.db2.gz BURRMMSXKKNHIS-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822595710 1427149727 /nfs/dbraw/zinc/14/97/27/1427149727.db2.gz BURRMMSXKKNHIS-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000174421655 1427149913 /nfs/dbraw/zinc/14/99/13/1427149913.db2.gz BQYFXBPWBPAJCX-GOSISDBHSA-N 0 1 390.487 3.315 20 0 GGADMN C[C@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2cccn2)c1 ZINC000824594195 1427152369 /nfs/dbraw/zinc/15/23/69/1427152369.db2.gz XZGGBNVYTVANSK-INIZCTEOSA-N 0 1 389.463 3.172 20 0 GGADMN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cs1 ZINC000174439606 1427157050 /nfs/dbraw/zinc/15/70/50/1427157050.db2.gz JZWLRCAHYNTZPS-CQSZACIVSA-N 0 1 391.541 3.045 20 0 GGADMN COC(=O)CCN(Cc1csc(-c2cccc(OC)c2)n1)C1CCOCC1 ZINC000174444938 1427159514 /nfs/dbraw/zinc/15/95/14/1427159514.db2.gz RSMQOUFVXNESEO-UHFFFAOYSA-N 0 1 390.505 3.363 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1cccc(F)c1 ZINC000174450731 1427161591 /nfs/dbraw/zinc/16/15/91/1427161591.db2.gz HGHNXDHEFWXECS-SFHVURJKSA-N 0 1 386.471 3.145 20 0 GGADMN COc1ccc(Cl)cc1NCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174452371 1427162440 /nfs/dbraw/zinc/16/24/40/1427162440.db2.gz FJUFOISDOHUDJG-UHFFFAOYSA-N 0 1 376.819 3.482 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000174455968 1427164098 /nfs/dbraw/zinc/16/40/98/1427164098.db2.gz KTJDGTLGYGEIRI-UHFFFAOYSA-N 0 1 393.422 3.390 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000174457036 1427164362 /nfs/dbraw/zinc/16/43/62/1427164362.db2.gz IRFRDNRAFWUIOC-INIZCTEOSA-N 0 1 394.450 3.179 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174456526 1427164651 /nfs/dbraw/zinc/16/46/51/1427164651.db2.gz VJGVJNRWNGAZHZ-IBGZPJMESA-N 0 1 378.407 3.282 20 0 GGADMN CS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826227446 1427165256 /nfs/dbraw/zinc/16/52/56/1427165256.db2.gz RAXNWTNTYLSATH-DGCLKSJQSA-N 0 1 394.932 3.065 20 0 GGADMN COc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C2CCC(O)CC2)c1 ZINC000826215961 1427165776 /nfs/dbraw/zinc/16/57/76/1427165776.db2.gz DQDWLZYZHGTASD-UHFFFAOYSA-N 0 1 399.520 3.243 20 0 GGADMN COc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C2CCC(O)CC2)c1 ZINC000826215961 1427165779 /nfs/dbraw/zinc/16/57/79/1427165779.db2.gz DQDWLZYZHGTASD-UHFFFAOYSA-N 0 1 399.520 3.243 20 0 GGADMN COc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C2CCC(O)CC2)c1 ZINC000826215961 1427165781 /nfs/dbraw/zinc/16/57/81/1427165781.db2.gz DQDWLZYZHGTASD-UHFFFAOYSA-N 0 1 399.520 3.243 20 0 GGADMN O=C(CCCc1nc(-c2cccs2)no1)NCc1nc2ccc(F)cc2[nH]1 ZINC000174460065 1427166252 /nfs/dbraw/zinc/16/62/52/1427166252.db2.gz KBKWRUDYFFIJIM-UHFFFAOYSA-N 0 1 385.424 3.453 20 0 GGADMN COc1cc(CCC(=O)N2CCN(C)CC23CCCCC3)cc(OC)c1OC ZINC000174459632 1427166293 /nfs/dbraw/zinc/16/62/93/1427166293.db2.gz XVAWHUOSPSQQLP-UHFFFAOYSA-N 0 1 390.524 3.122 20 0 GGADMN O=CNc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1 ZINC000174459158 1427166510 /nfs/dbraw/zinc/16/65/10/1427166510.db2.gz CJAYOLRUBVOQCG-UHFFFAOYSA-N 0 1 394.475 3.322 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(C)CC34CCCCC4)c12 ZINC000174459989 1427166728 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COc1cccc([C@H]2CCCN2C(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000174493441 1427180311 /nfs/dbraw/zinc/18/03/11/1427180311.db2.gz XTRCDPHKVGJCLF-HSZRJFAPSA-N 0 1 393.531 3.420 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000820727923 1427185822 /nfs/dbraw/zinc/18/58/22/1427185822.db2.gz QTSJTTCZJJCMNA-COXVUDFISA-N 0 1 379.468 3.317 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000174503467 1427188927 /nfs/dbraw/zinc/18/89/27/1427188927.db2.gz UJTHKIOVOADACZ-OAQYLSRUSA-N 0 1 393.531 3.448 20 0 GGADMN CC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000174509545 1427191818 /nfs/dbraw/zinc/19/18/18/1427191818.db2.gz OSCABHHAIDTVIZ-INIZCTEOSA-N 0 1 387.553 3.106 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000174509545 1427191820 /nfs/dbraw/zinc/19/18/20/1427191820.db2.gz OSCABHHAIDTVIZ-INIZCTEOSA-N 0 1 387.553 3.106 20 0 GGADMN O=C(CCCOc1ccc(F)cc1F)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174508874 1427192137 /nfs/dbraw/zinc/19/21/37/1427192137.db2.gz CVWBPGSZSIPSKG-UHFFFAOYSA-N 0 1 377.366 3.498 20 0 GGADMN CC[N@H+](C)C[C@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000174509561 1427192222 /nfs/dbraw/zinc/19/22/22/1427192222.db2.gz OSCABHHAIDTVIZ-MRXNPFEDSA-N 0 1 387.553 3.106 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000174509561 1427192223 /nfs/dbraw/zinc/19/22/23/1427192223.db2.gz OSCABHHAIDTVIZ-MRXNPFEDSA-N 0 1 387.553 3.106 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](C(=O)NCCc2nc3ccc(F)cc3[nH]2)C(C)C)cc1 ZINC000174512342 1427194554 /nfs/dbraw/zinc/19/45/54/1427194554.db2.gz ASAMMTKHNSDTJX-HXUWFJFHSA-N 0 1 396.466 3.124 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1OC[C@H]1CCCO1 ZINC000174514247 1427195268 /nfs/dbraw/zinc/19/52/68/1427195268.db2.gz LSIAMZNLQYPWHP-OAHLLOKOSA-N 0 1 383.423 3.232 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)C1(c2ccc(F)cc2)CCOCC1 ZINC000174514701 1427195574 /nfs/dbraw/zinc/19/55/74/1427195574.db2.gz HDGLZOXFBLCUBG-UHFFFAOYSA-N 0 1 385.414 3.248 20 0 GGADMN O=C(Nc1cccc(Oc2ccccn2)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000174513734 1427195676 /nfs/dbraw/zinc/19/56/76/1427195676.db2.gz GNRQNDAFAWSOEO-GOSISDBHSA-N 0 1 396.491 3.450 20 0 GGADMN O=C(CCc1nc(-c2ccsc2)no1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174515394 1427196518 /nfs/dbraw/zinc/19/65/18/1427196518.db2.gz ZNTATOZLQPJYTC-UHFFFAOYSA-N 0 1 385.424 3.105 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(Oc4ccccn4)c3)C2)CC1 ZINC000174516465 1427197106 /nfs/dbraw/zinc/19/71/06/1427197106.db2.gz RVCCFMLLRILJCF-IBGZPJMESA-N 0 1 395.507 3.118 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174516085 1427197333 /nfs/dbraw/zinc/19/73/33/1427197333.db2.gz LZZSWSVVCJTLJM-INIZCTEOSA-N 0 1 390.459 3.150 20 0 GGADMN C[C@@](O)(CNCc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccco1 ZINC000174527263 1427203952 /nfs/dbraw/zinc/20/39/52/1427203952.db2.gz QHFHNCWZXAAXEO-QGZVFWFLSA-N 0 1 376.254 3.430 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821449346 1427204444 /nfs/dbraw/zinc/20/44/44/1427204444.db2.gz SEELMWWRHZCLIB-STQMWFEESA-N 0 1 394.932 3.065 20 0 GGADMN C[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1ccccc1Cl ZINC000174529028 1427205723 /nfs/dbraw/zinc/20/57/23/1427205723.db2.gz YNDKRFWRUBWMPZ-SNVBAGLBSA-N 0 1 389.864 3.063 20 0 GGADMN Cc1cc[nH+]c(N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)c[nH]2)c1-c1nnn[n-]1 ZINC000826311196 1427206623 /nfs/dbraw/zinc/20/66/23/1427206623.db2.gz WTBIMQPXHHFANB-MRXNPFEDSA-N 0 1 390.426 3.441 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)CCSC ZINC000174539525 1427210597 /nfs/dbraw/zinc/21/05/97/1427210597.db2.gz MQSBRRCPZHKJRT-MRXNPFEDSA-N 0 1 394.585 3.442 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(OC)cc1 ZINC000174538148 1427210919 /nfs/dbraw/zinc/21/09/19/1427210919.db2.gz QAQKKAAJUFUUCV-UHFFFAOYSA-N 0 1 398.507 3.167 20 0 GGADMN C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nnc[nH]1 ZINC000174540786 1427211427 /nfs/dbraw/zinc/21/14/27/1427211427.db2.gz SHDPURBYQXIZNW-DYVFJYSZSA-N 0 1 397.866 3.197 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1ccoc1C ZINC000174540136 1427211806 /nfs/dbraw/zinc/21/18/06/1427211806.db2.gz ZSAHFTKJYKWUOD-UHFFFAOYSA-N 0 1 386.496 3.402 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(F)cc1 ZINC000174540616 1427211907 /nfs/dbraw/zinc/21/19/07/1427211907.db2.gz AHDIZCOMJMURCV-UHFFFAOYSA-N 0 1 386.471 3.298 20 0 GGADMN COc1cc(C)c([C@H](C)[NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000826178156 1427211804 /nfs/dbraw/zinc/21/18/04/1427211804.db2.gz MEGUONVVDCCAIY-HNNXBMFYSA-N 0 1 397.479 3.312 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC(C)(C)SC ZINC000174540418 1427211941 /nfs/dbraw/zinc/21/19/41/1427211941.db2.gz NWGQSZXJMDZKAN-UHFFFAOYSA-N 0 1 380.558 3.100 20 0 GGADMN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nnc[nH]1 ZINC000174540812 1427212207 /nfs/dbraw/zinc/21/22/07/1427212207.db2.gz SHDPURBYQXIZNW-CXAGYDPISA-N 0 1 397.866 3.197 20 0 GGADMN CCCCN(CCOC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000174541416 1427213002 /nfs/dbraw/zinc/21/30/02/1427213002.db2.gz OLWBDIQSUZNBHD-UHFFFAOYSA-N 0 1 392.544 3.118 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1cccc(O)c1 ZINC000174542014 1427214050 /nfs/dbraw/zinc/21/40/50/1427214050.db2.gz YOOLKUKZZWQBDH-INIZCTEOSA-N 0 1 398.507 3.425 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCOCCC(C)C ZINC000174543014 1427214094 /nfs/dbraw/zinc/21/40/94/1427214094.db2.gz SGVPYURRAYYZEV-UHFFFAOYSA-N 0 1 392.544 3.021 20 0 GGADMN Cc1nnc(SCCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000174546352 1427215835 /nfs/dbraw/zinc/21/58/35/1427215835.db2.gz PBYBBTRZGJJXGD-UHFFFAOYSA-N 0 1 384.427 3.462 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CCC3CC3)c2-c2nn[n-]n2)C1 ZINC000824967822 1427222717 /nfs/dbraw/zinc/22/27/17/1427222717.db2.gz NGTBQNIPQOAUQL-LBPRGKRZSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)CC[N@H+](C)CCC3CC3)c2-c2nnn[n-]2)C1 ZINC000824967822 1427222722 /nfs/dbraw/zinc/22/27/22/1427222722.db2.gz NGTBQNIPQOAUQL-LBPRGKRZSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CCC3CC3)c2-c2nnn[n-]2)C1 ZINC000824967822 1427222727 /nfs/dbraw/zinc/22/27/27/1427222727.db2.gz NGTBQNIPQOAUQL-LBPRGKRZSA-N 0 1 388.541 3.114 20 0 GGADMN COc1ccc([C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C2CC2)cc1 ZINC000174557982 1427223470 /nfs/dbraw/zinc/22/34/70/1427223470.db2.gz JVKZDYWLJLZJJQ-QHCPKHFHSA-N 0 1 393.531 3.324 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)c2nnc[nH]2)cc1 ZINC000174560803 1427224238 /nfs/dbraw/zinc/22/42/38/1427224238.db2.gz FCIZYHGEMQRFDN-AWEZNQCLSA-N 0 1 388.431 3.157 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000174560816 1427224617 /nfs/dbraw/zinc/22/46/17/1427224617.db2.gz FCIZYHGEMQRFDN-CQSZACIVSA-N 0 1 388.431 3.157 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CC(F)(F)F)c1ccccc1 ZINC000174562260 1427225558 /nfs/dbraw/zinc/22/55/58/1427225558.db2.gz OMJNBUNRVQLRNU-KRWDZBQOSA-N 0 1 393.409 3.149 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1)c1ccccc1 ZINC000174562674 1427226208 /nfs/dbraw/zinc/22/62/08/1427226208.db2.gz HQLNZPFBBFVECA-QGZVFWFLSA-N 0 1 393.409 3.149 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccccc1 ZINC000174562587 1427226315 /nfs/dbraw/zinc/22/63/15/1427226315.db2.gz HIFKFWSILFFNLG-KRWDZBQOSA-N 0 1 393.409 3.149 20 0 GGADMN Clc1ccccc1C[NH+]1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822585762 1427228155 /nfs/dbraw/zinc/22/81/55/1427228155.db2.gz MTTSJKDTIOKPBU-UHFFFAOYSA-N 0 1 383.887 3.239 20 0 GGADMN CC(C)n1nc(C(=O)N2CCN(C)CC23CCCCC3)c2ccccc2c1=O ZINC000174568131 1427228479 /nfs/dbraw/zinc/22/84/79/1427228479.db2.gz AJNQRMLGIYWDDA-UHFFFAOYSA-N 0 1 382.508 3.068 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174567094 1427228588 /nfs/dbraw/zinc/22/85/88/1427228588.db2.gz ZJDHMUFIAJCCEF-KRWDZBQOSA-N 0 1 399.564 3.251 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1cccs1 ZINC000174568661 1427229498 /nfs/dbraw/zinc/22/94/98/1427229498.db2.gz PDDCLFJVQATAIW-INIZCTEOSA-N 0 1 389.521 3.283 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)NC[C@H](c3cccs3)N(C)C)cc21 ZINC000174568590 1427229664 /nfs/dbraw/zinc/22/96/64/1427229664.db2.gz BGGRFNLOUHBTRA-GOSISDBHSA-N 0 1 398.532 3.470 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1)c1cccs1 ZINC000174568777 1427229812 /nfs/dbraw/zinc/22/98/12/1427229812.db2.gz RDDVIAAJAYBNDF-AWEZNQCLSA-N 0 1 399.438 3.211 20 0 GGADMN CC[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccncc1 ZINC000174569672 1427230344 /nfs/dbraw/zinc/23/03/44/1427230344.db2.gz OJBCITAAPWFSFE-OXQOHEQNSA-N 0 1 399.514 3.484 20 0 GGADMN Cn1ccnc1SCc1ccc(C(=O)N2CCN(C)CC23CCCCC3)o1 ZINC000174569375 1427230663 /nfs/dbraw/zinc/23/06/63/1427230663.db2.gz SMKDKFKREVUXKE-UHFFFAOYSA-N 0 1 388.537 3.396 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569709 1427230780 /nfs/dbraw/zinc/23/07/80/1427230780.db2.gz OEAAYBOHMSBROY-JKSUJKDBSA-N 0 1 394.535 3.141 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569532 1427230864 /nfs/dbraw/zinc/23/08/64/1427230864.db2.gz QEQIXMIEVWBAPI-IKGGRYGDSA-N 0 1 376.520 3.469 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(C)CC12CCCCC2 ZINC000174570579 1427231382 /nfs/dbraw/zinc/23/13/82/1427231382.db2.gz PXFIDNUTPVIKBL-NRFANRHFSA-N 0 1 381.520 3.428 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCCCCOc3ccc(F)cc3)c2)CC1 ZINC000174577276 1427236101 /nfs/dbraw/zinc/23/61/01/1427236101.db2.gz RMNGFWHGWXCVPR-UHFFFAOYSA-N 0 1 399.510 3.162 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccnn1C(C)C ZINC000174577185 1427236194 /nfs/dbraw/zinc/23/61/94/1427236194.db2.gz PVKHJGLDVBQCOX-UHFFFAOYSA-N 0 1 386.500 3.259 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)N(C)C)cc1 ZINC000174578503 1427237100 /nfs/dbraw/zinc/23/71/00/1427237100.db2.gz DGJFWHXABTXRAC-OAQYLSRUSA-N 0 1 392.503 3.098 20 0 GGADMN Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc21 ZINC000174579046 1427237796 /nfs/dbraw/zinc/23/77/96/1427237796.db2.gz HMFSQFRQCKNEDI-NRFANRHFSA-N 0 1 390.487 3.070 20 0 GGADMN CCC[C@@H](CCO)CNC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000174586906 1427242334 /nfs/dbraw/zinc/24/23/34/1427242334.db2.gz XOVAVRHBBLICRO-INIZCTEOSA-N 0 1 396.963 3.402 20 0 GGADMN CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000174597537 1427248228 /nfs/dbraw/zinc/24/82/28/1427248228.db2.gz KRNUEMIXVGETPI-QGZVFWFLSA-N 0 1 391.512 3.180 20 0 GGADMN CCC[N@@H+](CCCN1CCOCC1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000174597844 1427248782 /nfs/dbraw/zinc/24/87/82/1427248782.db2.gz QUBCDIGLLKKGNS-UHFFFAOYSA-N 0 1 378.904 3.324 20 0 GGADMN CCCN(CCCN1CCOCC1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000174597844 1427248791 /nfs/dbraw/zinc/24/87/91/1427248791.db2.gz QUBCDIGLLKKGNS-UHFFFAOYSA-N 0 1 378.904 3.324 20 0 GGADMN c1c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c2ccccn12 ZINC000738444946 1427249867 /nfs/dbraw/zinc/24/98/67/1427249867.db2.gz AFMIHPDHQBCODQ-MRXNPFEDSA-N 0 1 388.431 3.185 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)CCc1cccn1C ZINC000174598973 1427250090 /nfs/dbraw/zinc/25/00/90/1427250090.db2.gz VRPGAWGALLKKAC-SFHVURJKSA-N 0 1 383.540 3.228 20 0 GGADMN CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C ZINC000174600368 1427251054 /nfs/dbraw/zinc/25/10/54/1427251054.db2.gz YXXLPHOCBRSQRP-KNQAVFIVSA-N 0 1 388.556 3.414 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)C(=O)N(C)Cc3ccccc3)C2)nc1 ZINC000174603163 1427253681 /nfs/dbraw/zinc/25/36/81/1427253681.db2.gz QGKAHNGMFHEAIL-ICSRJNTNSA-N 0 1 394.519 3.088 20 0 GGADMN Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)C2)no1 ZINC000174606889 1427258028 /nfs/dbraw/zinc/25/80/28/1427258028.db2.gz DHPSZYMURYGNIV-WOJBJXKFSA-N 0 1 382.508 3.214 20 0 GGADMN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)no1 ZINC000174606851 1427258075 /nfs/dbraw/zinc/25/80/75/1427258075.db2.gz DHPSZYMURYGNIV-PMACEKPBSA-N 0 1 382.508 3.214 20 0 GGADMN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)no1 ZINC000174606864 1427258301 /nfs/dbraw/zinc/25/83/01/1427258301.db2.gz DHPSZYMURYGNIV-UXHICEINSA-N 0 1 382.508 3.214 20 0 GGADMN COc1ccc([C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C(C)C)cc1 ZINC000174615398 1427263293 /nfs/dbraw/zinc/26/32/93/1427263293.db2.gz HLDNGLIVAONQNY-QHCPKHFHSA-N 0 1 396.535 3.116 20 0 GGADMN O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000737802523 1427265477 /nfs/dbraw/zinc/26/54/77/1427265477.db2.gz XFEYYHSEFLZISX-SEYXRHQNSA-N 0 1 388.475 3.009 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174622296 1427269282 /nfs/dbraw/zinc/26/92/82/1427269282.db2.gz VGEWJHLPOLVJQN-GOSISDBHSA-N 0 1 384.549 3.191 20 0 GGADMN CN(C)c1cc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2n1 ZINC000174622522 1427269434 /nfs/dbraw/zinc/26/94/34/1427269434.db2.gz FMXCBSKQYAUCOJ-SFHVURJKSA-N 0 1 397.548 3.464 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174622306 1427269562 /nfs/dbraw/zinc/26/95/62/1427269562.db2.gz VGEWJHLPOLVJQN-SFHVURJKSA-N 0 1 384.549 3.191 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)n2)cc1 ZINC000174625268 1427271955 /nfs/dbraw/zinc/27/19/55/1427271955.db2.gz AIQLLZATMOJMGB-CYBMUJFWSA-N 0 1 396.422 3.145 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)n[nH]2)cc1 ZINC000174625268 1427271969 /nfs/dbraw/zinc/27/19/69/1427271969.db2.gz AIQLLZATMOJMGB-CYBMUJFWSA-N 0 1 396.422 3.145 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)c1ccsc1 ZINC000174628864 1427274132 /nfs/dbraw/zinc/27/41/32/1427274132.db2.gz XXMQFFSKVNEBLC-HNNXBMFYSA-N 0 1 399.438 3.303 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1)c1ccsc1 ZINC000174628851 1427274216 /nfs/dbraw/zinc/27/42/16/1427274216.db2.gz OVAHIOGSOMHMCM-LJQANCHMSA-N 0 1 398.532 3.378 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000822229548 1427281842 /nfs/dbraw/zinc/28/18/42/1427281842.db2.gz WTJDAGRDICNWTR-CQSZACIVSA-N 0 1 382.468 3.325 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2C)c(-c2nnn[n-]2)c1C ZINC000822229548 1427281850 /nfs/dbraw/zinc/28/18/50/1427281850.db2.gz WTJDAGRDICNWTR-CQSZACIVSA-N 0 1 382.468 3.325 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)c3c[nH]c4ccccc4c3=O)n2)c1 ZINC000174644367 1427284209 /nfs/dbraw/zinc/28/42/09/1427284209.db2.gz UTXLNKCSKJUYAR-GFCCVEGCSA-N 0 1 390.399 3.078 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC(=O)c3cc(F)cc4nc[nH]c43)n2)c1 ZINC000174645277 1427284597 /nfs/dbraw/zinc/28/45/97/1427284597.db2.gz DHKBPLWNMLFEPP-JTQLQIEISA-N 0 1 381.367 3.252 20 0 GGADMN CC(C)(CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)N1CCc2ccccc2C1 ZINC000174656287 1427291688 /nfs/dbraw/zinc/29/16/88/1427291688.db2.gz GITBGDDQYANCSL-UHFFFAOYSA-N 0 1 390.487 3.060 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC(=O)Cc3[nH]nc4ccccc43)n2)c1 ZINC000174656701 1427291772 /nfs/dbraw/zinc/29/17/72/1427291772.db2.gz JQKTXTAEDMUVHO-LBPRGKRZSA-N 0 1 377.404 3.041 20 0 GGADMN CCCN(CC)CCNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000174658025 1427292087 /nfs/dbraw/zinc/29/20/87/1427292087.db2.gz SGXFHYHDTYYYKR-UHFFFAOYSA-N 0 1 388.533 3.122 20 0 GGADMN COc1ccc2[nH]cc(C3CCN(C(=O)CSc4nnc(C)[nH]4)CC3)c2c1 ZINC000174663013 1427294538 /nfs/dbraw/zinc/29/45/38/1427294538.db2.gz SOBFWMUMGVBLPX-UHFFFAOYSA-N 0 1 385.493 3.101 20 0 GGADMN COc1ccc2[nH]cc(C3CCN(C(=O)CSc4nc(C)n[nH]4)CC3)c2c1 ZINC000174663013 1427294544 /nfs/dbraw/zinc/29/45/44/1427294544.db2.gz SOBFWMUMGVBLPX-UHFFFAOYSA-N 0 1 385.493 3.101 20 0 GGADMN O=C(CCN1CCN(Cc2cccc(O)c2)CC1)Nc1ccc(Cl)cc1F ZINC000174664348 1427295121 /nfs/dbraw/zinc/29/51/21/1427295121.db2.gz CZWXYNFSYCDVNK-UHFFFAOYSA-N 0 1 391.874 3.331 20 0 GGADMN O=C(CCN1CCN(Cc2cccc(O)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000174666575 1427296689 /nfs/dbraw/zinc/29/66/89/1427296689.db2.gz XIJAAULRLWQTQT-QHCPKHFHSA-N 0 1 393.531 3.094 20 0 GGADMN COc1ccc(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)c(OC)c1 ZINC000174676703 1427304275 /nfs/dbraw/zinc/30/42/75/1427304275.db2.gz PNNCHNRDHYFEPJ-GOSISDBHSA-N 0 1 383.492 3.243 20 0 GGADMN COCc1ccccc1CNC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680696 1427306172 /nfs/dbraw/zinc/30/61/72/1427306172.db2.gz UNQFOARBBFBVSH-QFIPXVFZSA-N 0 1 381.520 3.050 20 0 GGADMN Cc1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc(S(N)(=O)=O)c1C ZINC000174681004 1427306981 /nfs/dbraw/zinc/30/69/81/1427306981.db2.gz BCAICFYRVYPJLT-UHFFFAOYSA-N 0 1 398.488 3.347 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)[nH]1 ZINC000174682467 1427307429 /nfs/dbraw/zinc/30/74/29/1427307429.db2.gz YOIZXDBLQDQZTP-UHFFFAOYSA-N 0 1 387.440 3.238 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001139094455 1427309669 /nfs/dbraw/zinc/30/96/69/1427309669.db2.gz BYIZEDXADLPIPQ-INIZCTEOSA-N 0 1 378.480 3.414 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000826304776 1427310229 /nfs/dbraw/zinc/31/02/29/1427310229.db2.gz XTHCWFJCTVCTGS-GOSISDBHSA-N 0 1 388.431 3.007 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)[nH]1 ZINC000174689764 1427311623 /nfs/dbraw/zinc/31/16/23/1427311623.db2.gz UITPFKBIDRUPJL-FQEVSTJZSA-N 0 1 394.500 3.436 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)n1 ZINC000174689764 1427311627 /nfs/dbraw/zinc/31/16/27/1427311627.db2.gz UITPFKBIDRUPJL-FQEVSTJZSA-N 0 1 394.500 3.436 20 0 GGADMN Cc1nnc(SCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)[nH]1 ZINC000174691480 1427312343 /nfs/dbraw/zinc/31/23/43/1427312343.db2.gz GAEUHDVNAMRRIO-AWEZNQCLSA-N 0 1 384.465 3.009 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)n1 ZINC000174691480 1427312346 /nfs/dbraw/zinc/31/23/46/1427312346.db2.gz GAEUHDVNAMRRIO-AWEZNQCLSA-N 0 1 384.465 3.009 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000174693224 1427313820 /nfs/dbraw/zinc/31/38/20/1427313820.db2.gz UBLPXQZBBUAXCK-LIRRHRJNSA-N 0 1 394.450 3.432 20 0 GGADMN O=C1[C@H]([N@H+]2CCC[C@@H]2c2cccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476976 1427316127 /nfs/dbraw/zinc/31/61/27/1427316127.db2.gz SRDMZCQKBNNBJN-IAGOWNOFSA-N 0 1 394.504 3.261 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174698291 1427316451 /nfs/dbraw/zinc/31/64/51/1427316451.db2.gz ZNSAFXQAHDQBIN-UHFFFAOYSA-N 0 1 382.508 3.330 20 0 GGADMN Cc1nnc(SCCC(=O)NCC2(c3ccccc3Cl)CCOCC2)[nH]1 ZINC000174703028 1427318577 /nfs/dbraw/zinc/31/85/77/1427318577.db2.gz JUPMJJQDMZFJIL-UHFFFAOYSA-N 0 1 394.928 3.113 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cnn(Cc2ccccc2)c1 ZINC000174712721 1427325069 /nfs/dbraw/zinc/32/50/69/1427325069.db2.gz SZILNWPKQZGYBA-UHFFFAOYSA-N 0 1 389.503 3.082 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000174715212 1427326541 /nfs/dbraw/zinc/32/65/41/1427326541.db2.gz ZTDKWCYPOOTNNX-ZDUSSCGKSA-N 0 1 397.525 3.466 20 0 GGADMN COc1cccc(NC(=O)CCN2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000174720911 1427329972 /nfs/dbraw/zinc/32/99/72/1427329972.db2.gz GNKNYOADTRVZRB-UHFFFAOYSA-N 0 1 399.466 3.011 20 0 GGADMN COc1cccc(NC(=O)CCN2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000174720756 1427330003 /nfs/dbraw/zinc/33/00/03/1427330003.db2.gz RHTFAJMKVCWWFZ-UHFFFAOYSA-N 0 1 399.466 3.011 20 0 GGADMN Cc1ccccc1NC(=O)CCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000174720952 1427330293 /nfs/dbraw/zinc/33/02/93/1427330293.db2.gz OGZMTHNPLPASRK-UHFFFAOYSA-N 0 1 383.467 3.311 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000174727990 1427333908 /nfs/dbraw/zinc/33/39/08/1427333908.db2.gz WUNNZQRUCQURGQ-NRFANRHFSA-N 0 1 378.520 3.266 20 0 GGADMN CCc1nnc(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)s1 ZINC000174732537 1427336931 /nfs/dbraw/zinc/33/69/31/1427336931.db2.gz QCEJJTGJBKQOGI-UHFFFAOYSA-N 0 1 388.840 3.049 20 0 GGADMN CCCCOc1ccc(C(=O)NCC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174743192 1427343769 /nfs/dbraw/zinc/34/37/69/1427343769.db2.gz JIMMQADCMYLVDR-UHFFFAOYSA-N 0 1 394.475 3.096 20 0 GGADMN COc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)cc1F ZINC000737095790 1427344865 /nfs/dbraw/zinc/34/48/65/1427344865.db2.gz NQHXOMDXKYMFFR-UHFFFAOYSA-N 0 1 378.411 3.213 20 0 GGADMN O=C(Cc1ccn[nH]1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000174766995 1427355922 /nfs/dbraw/zinc/35/59/22/1427355922.db2.gz VKINJJKUPLTINC-UHFFFAOYSA-N 0 1 375.835 3.060 20 0 GGADMN Cc1ccc(C2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CC2)cn1 ZINC000826286093 1427359866 /nfs/dbraw/zinc/35/98/66/1427359866.db2.gz RWUHBMCGNMUXNJ-UHFFFAOYSA-N 0 1 375.480 3.228 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000736198862 1427362214 /nfs/dbraw/zinc/36/22/14/1427362214.db2.gz VINWRAFMCJLIKI-OAHLLOKOSA-N 0 1 382.512 3.089 20 0 GGADMN Cc1cc(NC(=O)C(=O)NCCN(C)Cc2ccccc2)c2cccnc2c1C ZINC000174781379 1427363546 /nfs/dbraw/zinc/36/35/46/1427363546.db2.gz RQDOSYCFYHDBSN-UHFFFAOYSA-N 0 1 390.487 3.038 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000174782845 1427364101 /nfs/dbraw/zinc/36/41/01/1427364101.db2.gz WETKAGHEODNIPW-QGZVFWFLSA-N 0 1 392.975 3.430 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000174783439 1427364962 /nfs/dbraw/zinc/36/49/62/1427364962.db2.gz NCEFUCWOQHNXGJ-HNNXBMFYSA-N 0 1 398.473 3.020 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000174785002 1427366040 /nfs/dbraw/zinc/36/60/40/1427366040.db2.gz ABJAELPXYRTGRG-GOSISDBHSA-N 0 1 390.547 3.306 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000174786231 1427367138 /nfs/dbraw/zinc/36/71/38/1427367138.db2.gz ZHEJNYAOOWZPDI-IEBWSBKVSA-N 0 1 393.959 3.402 20 0 GGADMN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)n1 ZINC000174794820 1427372868 /nfs/dbraw/zinc/37/28/68/1427372868.db2.gz RVEJLAKMSJZXEC-AWEZNQCLSA-N 0 1 383.452 3.466 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000174795484 1427372938 /nfs/dbraw/zinc/37/29/38/1427372938.db2.gz YAQSDDUCZLYFDX-VQIMIIECSA-N 0 1 378.900 3.189 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)N2CCCC2)cc1 ZINC000174811594 1427381916 /nfs/dbraw/zinc/38/19/16/1427381916.db2.gz SYVYGSWCPKZORO-NRFANRHFSA-N 0 1 390.487 3.368 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826158072 1427382440 /nfs/dbraw/zinc/38/24/40/1427382440.db2.gz YSIIHHZWBZWDCE-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN COCC[N@H+](C)CCCC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826158072 1427382441 /nfs/dbraw/zinc/38/24/41/1427382441.db2.gz YSIIHHZWBZWDCE-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826158072 1427382448 /nfs/dbraw/zinc/38/24/48/1427382448.db2.gz YSIIHHZWBZWDCE-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000174819422 1427385445 /nfs/dbraw/zinc/38/54/45/1427385445.db2.gz GKYKYTRNOVDLMZ-RTWAWAEBSA-N 0 1 399.579 3.442 20 0 GGADMN O=C(NCCc1nc(C(F)(F)F)cs1)[C@H]1CCCN1Cc1ccccc1 ZINC000174826111 1427389636 /nfs/dbraw/zinc/38/96/36/1427389636.db2.gz MLDFJHABUNLNNN-CQSZACIVSA-N 0 1 383.439 3.485 20 0 GGADMN CN(CC(=O)Nc1ccc(F)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828091 1427389901 /nfs/dbraw/zinc/38/99/01/1427389901.db2.gz USGPEOAIVWNASD-UHFFFAOYSA-N 0 1 383.439 3.235 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2cnn(CC(F)F)c2)N2CCCC2)cc1 ZINC000174844127 1427402039 /nfs/dbraw/zinc/40/20/39/1427402039.db2.gz JKXWOVVFBXULLH-QGZVFWFLSA-N 0 1 393.438 3.115 20 0 GGADMN C[C@H]1CCCCN1C(=O)CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000174844706 1427402329 /nfs/dbraw/zinc/40/23/29/1427402329.db2.gz HOWPLQUOPLJJLX-DLBZAZTESA-N 0 1 390.503 3.060 20 0 GGADMN C[C@@H]1CCCCN1C(=O)CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000174844695 1427402352 /nfs/dbraw/zinc/40/23/52/1427402352.db2.gz HOWPLQUOPLJJLX-IAGOWNOFSA-N 0 1 390.503 3.060 20 0 GGADMN C[C@]1(c2ccccc2)CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000174846714 1427403803 /nfs/dbraw/zinc/40/38/03/1427403803.db2.gz VHENPWGKERFGMG-DEOSSOPVSA-N 0 1 392.547 3.174 20 0 GGADMN CCc1ccccc1N1C[C@@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1=O ZINC000174863740 1427415609 /nfs/dbraw/zinc/41/56/09/1427415609.db2.gz XZVJDWPHZALVSS-INIZCTEOSA-N 0 1 376.460 3.103 20 0 GGADMN CCCn1c2ccccc2n(CCC(=O)NCc2nc3ccc(C)cc3[nH]2)c1=O ZINC000174864376 1427416283 /nfs/dbraw/zinc/41/62/83/1427416283.db2.gz UEMCBOJHYHFXQQ-UHFFFAOYSA-N 0 1 391.475 3.104 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1ccc(F)c(Cl)c1 ZINC000174866482 1427418074 /nfs/dbraw/zinc/41/80/74/1427418074.db2.gz BJPJGIVDMKXOHZ-UHFFFAOYSA-N 0 1 398.829 3.483 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)N1CCOCC1 ZINC000174867733 1427418088 /nfs/dbraw/zinc/41/80/88/1427418088.db2.gz VLVHIRDGKYESBK-QZTJIDSGSA-N 0 1 394.585 3.339 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@@H](CC1CCCC1)c1ccccc1)C2 ZINC000826520718 1427419079 /nfs/dbraw/zinc/41/90/79/1427419079.db2.gz PYWJLPJNBFDRPD-APWZRJJASA-N 0 1 392.511 3.016 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CC(=O)N2C ZINC000824546449 1427419939 /nfs/dbraw/zinc/41/99/39/1427419939.db2.gz JBIMCMADISBHMS-YJYMSZOUSA-N 0 1 388.475 3.114 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)[nH]c2c1 ZINC000174871435 1427420413 /nfs/dbraw/zinc/42/04/13/1427420413.db2.gz BHPVIJNZRIOXJQ-UHFFFAOYSA-N 0 1 378.476 3.464 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000820420464 1427421845 /nfs/dbraw/zinc/42/18/45/1427421845.db2.gz RJMKIEUKWAKRRP-ZBEGNZNMSA-N 0 1 388.269 3.013 20 0 GGADMN C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736254075 1427422525 /nfs/dbraw/zinc/42/25/25/1427422525.db2.gz XPUXBYVSJDZSKQ-STQMWFEESA-N 0 1 388.541 3.399 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)[nH]c2c1 ZINC000174877404 1427422765 /nfs/dbraw/zinc/42/27/65/1427422765.db2.gz IBIKIMPEBAPJFF-HXUWFJFHSA-N 0 1 378.476 3.251 20 0 GGADMN Cc1ccc2nc(CNC(=O)CCSc3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000174882451 1427426003 /nfs/dbraw/zinc/42/60/03/1427426003.db2.gz ABIMOVRKICRNEE-UHFFFAOYSA-N 0 1 383.473 3.441 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000826050764 1427426834 /nfs/dbraw/zinc/42/68/34/1427426834.db2.gz CQLYJDBBTISYAA-MRXNPFEDSA-N 0 1 385.269 3.228 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826050764 1427426837 /nfs/dbraw/zinc/42/68/37/1427426837.db2.gz CQLYJDBBTISYAA-MRXNPFEDSA-N 0 1 385.269 3.228 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000826050764 1427426841 /nfs/dbraw/zinc/42/68/41/1427426841.db2.gz CQLYJDBBTISYAA-MRXNPFEDSA-N 0 1 385.269 3.228 20 0 GGADMN CCOc1ccccc1C(=O)NCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174891551 1427430099 /nfs/dbraw/zinc/43/00/99/1427430099.db2.gz GXHWZBAQCJVIBY-UHFFFAOYSA-N 0 1 394.475 3.096 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737075916 1427432831 /nfs/dbraw/zinc/43/28/31/1427432831.db2.gz GFCTZKHQEAFVAI-UHFFFAOYSA-N 0 1 398.898 3.159 20 0 GGADMN Cc1ccc2nc(CNC(=O)Cc3csc(NC(=O)C(C)(C)C)n3)[nH]c2c1 ZINC000174896448 1427433211 /nfs/dbraw/zinc/43/32/11/1427433211.db2.gz IXNGIIKHNPDBGS-UHFFFAOYSA-N 0 1 385.493 3.171 20 0 GGADMN Cc1nc(C(=O)Nc2cccc(C(C)C)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174897711 1427433828 /nfs/dbraw/zinc/43/38/28/1427433828.db2.gz DBCWRDZWMGUIBD-UHFFFAOYSA-N 0 1 379.346 3.088 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000174900810 1427435405 /nfs/dbraw/zinc/43/54/05/1427435405.db2.gz KPYQDJZHBRLDHV-JOCHJYFZSA-N 0 1 396.535 3.079 20 0 GGADMN COc1ccc([C@@H]2CC[N@@H+](CCCOc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000821786971 1427435669 /nfs/dbraw/zinc/43/56/69/1427435669.db2.gz MOKNPMVUBKBQHF-GOSISDBHSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccc([C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000821786971 1427435673 /nfs/dbraw/zinc/43/56/73/1427435673.db2.gz MOKNPMVUBKBQHF-GOSISDBHSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccc([C@@H]2CC[N@@H+](CCCOc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000821786971 1427435678 /nfs/dbraw/zinc/43/56/78/1427435678.db2.gz MOKNPMVUBKBQHF-GOSISDBHSA-N 0 1 379.464 3.134 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H](OC)C(C)(C)C ZINC000174901910 1427436046 /nfs/dbraw/zinc/43/60/46/1427436046.db2.gz IYCIESDRNVBJAR-IBGZPJMESA-N 0 1 392.544 3.020 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](c3ccccc3)N3CCSCC3)[nH]c2c1 ZINC000174901334 1427436192 /nfs/dbraw/zinc/43/61/92/1427436192.db2.gz SXQGRVZEWGXYKN-FQEVSTJZSA-N 0 1 380.517 3.278 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)[nH]c2c1 ZINC000174902646 1427436877 /nfs/dbraw/zinc/43/68/77/1427436877.db2.gz AUGAVRBUFBUBAL-KRWDZBQOSA-N 0 1 376.460 3.040 20 0 GGADMN COc1ccc([C@@H](NCCOC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174902172 1427436893 /nfs/dbraw/zinc/43/68/93/1427436893.db2.gz GTMGGFHFUDFEIH-HXUWFJFHSA-N 0 1 377.506 3.203 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)[nH]c2c1 ZINC000174902768 1427437010 /nfs/dbraw/zinc/43/70/10/1427437010.db2.gz OXNCPBNIRCJLRA-RHSMWYFYSA-N 0 1 383.496 3.117 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)[nH]c2c1 ZINC000174903842 1427437445 /nfs/dbraw/zinc/43/74/45/1427437445.db2.gz LXDJGWSTFUKKTI-LJQANCHMSA-N 0 1 382.439 3.081 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)[nH]c2c1 ZINC000174905383 1427438415 /nfs/dbraw/zinc/43/84/15/1427438415.db2.gz IQEXWIIEHPGEOV-ZDUSSCGKSA-N 0 1 382.851 3.194 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824571352 1427438513 /nfs/dbraw/zinc/43/85/13/1427438513.db2.gz QCJULBIYSVKFPD-MEDUHNTESA-N 0 1 393.369 3.150 20 0 GGADMN CCOCCOCc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825599107 1427438576 /nfs/dbraw/zinc/43/85/76/1427438576.db2.gz HRHMDVUQYFXSGD-INIZCTEOSA-N 0 1 381.480 3.271 20 0 GGADMN O=C(CN(CCCO)[C@H]1CCCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000174906009 1427438578 /nfs/dbraw/zinc/43/85/78/1427438578.db2.gz HVUWJZJURLOEMX-YADHBBJMSA-N 0 1 394.515 3.388 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)[nH]c2c1 ZINC000174906959 1427439261 /nfs/dbraw/zinc/43/92/61/1427439261.db2.gz QQGKIVXRPFQJBP-IAGOWNOFSA-N 0 1 392.503 3.411 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)[nH]c2c1 ZINC000174906944 1427439415 /nfs/dbraw/zinc/43/94/15/1427439415.db2.gz QQGKIVXRPFQJBP-CALCHBBNSA-N 0 1 392.503 3.411 20 0 GGADMN COc1cccc(CNC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000174907193 1427439540 /nfs/dbraw/zinc/43/95/40/1427439540.db2.gz BMAPJPROVHMVIZ-JOCHJYFZSA-N 0 1 382.504 3.073 20 0 GGADMN Cc1ccc2nc(CNC(=O)C3CCC(NC(=O)C4CCCC4)CC3)[nH]c2c1 ZINC000174908855 1427440950 /nfs/dbraw/zinc/44/09/50/1427440950.db2.gz OTRYUWIOOYHGOX-UHFFFAOYSA-N 0 1 382.508 3.353 20 0 GGADMN COC(=O)N[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)C(C)C ZINC000174916824 1427444923 /nfs/dbraw/zinc/44/49/23/1427444923.db2.gz SETGLLRGEFBZIH-JTQLQIEISA-N 0 1 379.638 3.127 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3C)C2)CC1 ZINC000174914307 1427443302 /nfs/dbraw/zinc/44/33/02/1427443302.db2.gz XMRTVOIGDOSHEA-INIZCTEOSA-N 0 1 384.446 3.258 20 0 GGADMN CN1CCC(=O)Nc2cc(C(=O)Nc3nc(-c4ccccc4Cl)n[nH]3)ccc21 ZINC000174918174 1427444657 /nfs/dbraw/zinc/44/46/57/1427444657.db2.gz ACFZEQQPYRJLTG-UHFFFAOYSA-N 0 1 396.838 3.156 20 0 GGADMN COC(=O)N(C)CCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174918113 1427444833 /nfs/dbraw/zinc/44/48/33/1427444833.db2.gz DJXNIZQNSPMFFY-UHFFFAOYSA-N 0 1 379.638 3.225 20 0 GGADMN CC(C)(C)OC(=O)NCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174921430 1427446622 /nfs/dbraw/zinc/44/66/22/1427446622.db2.gz ZQAKOXZLXQEGDJ-UHFFFAOYSA-N 0 1 379.638 3.271 20 0 GGADMN O=C(Cn1c(=O)oc2ccccc21)Nc1cc(Cl)cc(Br)c1O ZINC000174924441 1427447965 /nfs/dbraw/zinc/44/79/65/1427447965.db2.gz SFOJRTQBPZMOGC-UHFFFAOYSA-N 0 1 397.612 3.355 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000174930917 1427451341 /nfs/dbraw/zinc/45/13/41/1427451341.db2.gz OGCLMUZITBHRMV-UHFFFAOYSA-N 0 1 396.900 3.120 20 0 GGADMN O=C(Nc1cccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1)c1ccccc1Cl ZINC000174933455 1427452194 /nfs/dbraw/zinc/45/21/94/1427452194.db2.gz MFIGCOVIMOKFIQ-MRXNPFEDSA-N 0 1 383.879 3.445 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826433326 1427453481 /nfs/dbraw/zinc/45/34/81/1427453481.db2.gz BPHMVDVEDZIYMM-SFHVURJKSA-N 0 1 396.882 3.087 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1F ZINC000174969513 1427472179 /nfs/dbraw/zinc/47/21/79/1427472179.db2.gz JVHNEZFFRLVGJI-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(OCCC(C)C)cc3)C2)CC1 ZINC000174981223 1427477119 /nfs/dbraw/zinc/47/71/19/1427477119.db2.gz QRODKACBJGVMIF-FQEVSTJZSA-N 0 1 388.556 3.355 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000174981009 1427477449 /nfs/dbraw/zinc/47/74/49/1427477449.db2.gz NXPSVBYUCAMMLB-UHFFFAOYSA-N 0 1 380.485 3.488 20 0 GGADMN COc1cc(CN2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc(OC)c1 ZINC000174981768 1427477978 /nfs/dbraw/zinc/47/79/78/1427477978.db2.gz JAYOFRAXMRUXBK-UHFFFAOYSA-N 0 1 390.867 3.021 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(OC)c(F)c3)C2=O)c1 ZINC000174983482 1427478949 /nfs/dbraw/zinc/47/89/49/1427478949.db2.gz FBLUYNLTEQBULU-ORAYPTAESA-N 0 1 388.439 3.308 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821000803 1427480955 /nfs/dbraw/zinc/48/09/55/1427480955.db2.gz JTOOZUDGYSTKQF-ZIAGYGMSSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821000803 1427480958 /nfs/dbraw/zinc/48/09/58/1427480958.db2.gz JTOOZUDGYSTKQF-ZIAGYGMSSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821000803 1427480961 /nfs/dbraw/zinc/48/09/61/1427480961.db2.gz JTOOZUDGYSTKQF-ZIAGYGMSSA-N 0 1 389.891 3.001 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000174991375 1427483270 /nfs/dbraw/zinc/48/32/70/1427483270.db2.gz NLHCWEMRVIBOSR-UHFFFAOYSA-N 0 1 376.478 3.321 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000174990593 1427483447 /nfs/dbraw/zinc/48/34/47/1427483447.db2.gz OZKNZCMVDWLNIJ-UHFFFAOYSA-N 0 1 388.489 3.077 20 0 GGADMN CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428426 1427492787 /nfs/dbraw/zinc/49/27/87/1427492787.db2.gz MNJUMCYVWLHFFT-ZDUSSCGKSA-N 0 1 381.436 3.187 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CNC1(c2nccs2)CCCC1 ZINC000175008439 1427494594 /nfs/dbraw/zinc/49/45/94/1427494594.db2.gz YIQSBKFDKXQEPP-MRXNPFEDSA-N 0 1 390.505 3.153 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)CCc2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000175009349 1427494969 /nfs/dbraw/zinc/49/49/69/1427494969.db2.gz SARSNJNQDJAIAL-UHFFFAOYSA-N 0 1 378.476 3.484 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000175011445 1427495641 /nfs/dbraw/zinc/49/56/41/1427495641.db2.gz IUCDAQINLXUXEG-DYESRHJHSA-N 0 1 385.485 3.419 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000175011309 1427495892 /nfs/dbraw/zinc/49/58/92/1427495892.db2.gz WRNNVZSQZZLXBR-STQMWFEESA-N 0 1 381.400 3.206 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000175016432 1427500296 /nfs/dbraw/zinc/50/02/96/1427500296.db2.gz IBBSWYGKOPUJFO-UHFFFAOYSA-N 0 1 376.478 3.205 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000826304582 1427506442 /nfs/dbraw/zinc/50/64/42/1427506442.db2.gz QLOKLEVOOVKUCC-UHFFFAOYSA-N 0 1 379.512 3.280 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000826304582 1427506445 /nfs/dbraw/zinc/50/64/45/1427506445.db2.gz QLOKLEVOOVKUCC-UHFFFAOYSA-N 0 1 379.512 3.280 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000826304582 1427506447 /nfs/dbraw/zinc/50/64/47/1427506447.db2.gz QLOKLEVOOVKUCC-UHFFFAOYSA-N 0 1 379.512 3.280 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(Cc4ccccc4C)CC3)[nH]c21 ZINC000175028640 1427508480 /nfs/dbraw/zinc/50/84/80/1427508480.db2.gz VHMBLCDNDLPHSC-UHFFFAOYSA-N 0 1 376.504 3.457 20 0 GGADMN Brc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823826260 1427511295 /nfs/dbraw/zinc/51/12/95/1427511295.db2.gz FRMNWEJCDHUPLC-AWEZNQCLSA-N 0 1 388.269 3.429 20 0 GGADMN CCC1(O)CC[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000825176254 1427514434 /nfs/dbraw/zinc/51/44/34/1427514434.db2.gz MFJCRKYJFLWKEH-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN CNC(=O)CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000175042479 1427515500 /nfs/dbraw/zinc/51/55/00/1427515500.db2.gz WPNRNHIVILIMOG-SJORKVTESA-N 0 1 381.520 3.254 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2C)N2CCCC2)cc1 ZINC000175043383 1427516067 /nfs/dbraw/zinc/51/60/67/1427516067.db2.gz HVRRJGNUIGYBJX-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN Cc1nc(C(C)(C)NC(=O)c2cccc(CN3CCN(C)CC3)c2)sc1C ZINC000175044027 1427516419 /nfs/dbraw/zinc/51/64/19/1427516419.db2.gz DDICZAOBDIDYHR-UHFFFAOYSA-N 0 1 386.565 3.172 20 0 GGADMN CNC(=O)CC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000175044979 1427516864 /nfs/dbraw/zinc/51/68/64/1427516864.db2.gz MHEDPPLZVNLGMQ-UHFFFAOYSA-N 0 1 393.531 3.083 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)c2)CC1 ZINC000175048817 1427519422 /nfs/dbraw/zinc/51/94/22/1427519422.db2.gz YUAGXGNYQLKMAE-OAQYLSRUSA-N 0 1 395.522 3.278 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000175050522 1427519996 /nfs/dbraw/zinc/51/99/96/1427519996.db2.gz PXAWUGOKIRVARL-AZUAARDMSA-N 0 1 396.510 3.137 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000175055599 1427522914 /nfs/dbraw/zinc/52/29/14/1427522914.db2.gz ATSFXROILDXLRU-LEWJYISDSA-N 0 1 392.547 3.307 20 0 GGADMN Cc1nc(C(=O)N(C)c2cccc(C(C)C)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000175060523 1427524942 /nfs/dbraw/zinc/52/49/42/1427524942.db2.gz QRBVKSVEBBUGMI-UHFFFAOYSA-N 0 1 393.373 3.113 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC3CC3)CC2)c(-c2nc(C3CC3)no2)c1 ZINC000175063264 1427526401 /nfs/dbraw/zinc/52/64/01/1427526401.db2.gz MXPDAUDYSVYUKX-UHFFFAOYSA-N 0 1 381.480 3.482 20 0 GGADMN C[C@H]1CCc2ccccc2N1CCC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000175071348 1427531123 /nfs/dbraw/zinc/53/11/23/1427531123.db2.gz OMWFMNHBCCSFAA-INIZCTEOSA-N 0 1 394.519 3.017 20 0 GGADMN Cc1nc2sccc2c(=O)n1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000175076435 1427533708 /nfs/dbraw/zinc/53/37/08/1427533708.db2.gz UWXPOTGICQEOIH-UHFFFAOYSA-N 0 1 387.490 3.222 20 0 GGADMN C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571400 1427536463 /nfs/dbraw/zinc/53/64/63/1427536463.db2.gz QFZXWMBHJBADRU-LSDHHAIUSA-N 0 1 380.471 3.103 20 0 GGADMN C(=Cc1ccccc1)C[NH+]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000819709990 1427537899 /nfs/dbraw/zinc/53/78/99/1427537899.db2.gz VINLXTCSHPEDRE-RMKNXTFCSA-N 0 1 397.486 3.250 20 0 GGADMN COc1cccc([C@H](CNC(=O)CCc2nc3c(cccc3C)[nH]2)N(C)C)c1 ZINC000175085577 1427538405 /nfs/dbraw/zinc/53/84/05/1427538405.db2.gz GPMLLZAAFBREKF-IBGZPJMESA-N 0 1 380.492 3.232 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)[nH]n1 ZINC000175084679 1427538525 /nfs/dbraw/zinc/53/85/25/1427538525.db2.gz ZRMKMZGIOISSGK-UHFFFAOYSA-N 0 1 390.491 3.304 20 0 GGADMN Cc1cccc2nc(CCC(=O)NC[C@H](c3cccs3)N3CCOCC3)[nH]c21 ZINC000175086807 1427539211 /nfs/dbraw/zinc/53/92/11/1427539211.db2.gz SAJNXVBCIMDDAQ-QGZVFWFLSA-N 0 1 398.532 3.055 20 0 GGADMN CC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000823973865 1427544441 /nfs/dbraw/zinc/54/44/41/1427544441.db2.gz LQZHTIACTDVCIT-OAHLLOKOSA-N 0 1 390.491 3.195 20 0 GGADMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1Cl ZINC000175104224 1427548896 /nfs/dbraw/zinc/54/88/96/1427548896.db2.gz PWTRWTADCYFSBB-MRXNPFEDSA-N 0 1 377.847 3.145 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198236 1427551603 /nfs/dbraw/zinc/55/16/03/1427551603.db2.gz RKYIQIUKTPKOEL-ACJLOTCBSA-N 0 1 396.882 3.318 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198236 1427551608 /nfs/dbraw/zinc/55/16/08/1427551608.db2.gz RKYIQIUKTPKOEL-ACJLOTCBSA-N 0 1 396.882 3.318 20 0 GGADMN CC[C@](C)(NC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1nccs1 ZINC000175112592 1427553189 /nfs/dbraw/zinc/55/31/89/1427553189.db2.gz NBEAYRYDIHYNHK-NRFANRHFSA-N 0 1 386.565 3.405 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000175119217 1427557091 /nfs/dbraw/zinc/55/70/91/1427557091.db2.gz QLKGGFPYJQFJTL-UHFFFAOYSA-N 0 1 386.955 3.295 20 0 GGADMN CN(CCNC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(F)cc1 ZINC000175134365 1427563001 /nfs/dbraw/zinc/56/30/01/1427563001.db2.gz XNWMWBLCGJBQFY-UHFFFAOYSA-N 0 1 384.455 3.206 20 0 GGADMN Cc1cccc2nc(CCC(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)[nH]c21 ZINC000175155266 1427571500 /nfs/dbraw/zinc/57/15/00/1427571500.db2.gz BPTQSEJGXIFXGX-CQSZACIVSA-N 0 1 385.489 3.085 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCSC4(CCCCC4)C3)cc2[nH]c1=S ZINC000175154847 1427571533 /nfs/dbraw/zinc/57/15/33/1427571533.db2.gz UXRIGMXNHLXLOJ-UHFFFAOYSA-N 0 1 389.546 3.114 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C)o1 ZINC000175166746 1427578461 /nfs/dbraw/zinc/57/84/61/1427578461.db2.gz KIGZJSPBRDNFDE-IAGOWNOFSA-N 0 1 375.469 3.395 20 0 GGADMN C[C@@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824599496 1427578885 /nfs/dbraw/zinc/57/88/85/1427578885.db2.gz PSSAQODHCAPBRY-GFCCVEGCSA-N 0 1 375.379 3.198 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1OCC1CC1 ZINC000175177176 1427583785 /nfs/dbraw/zinc/58/37/85/1427583785.db2.gz ZPDBCCWCCSFPLG-UHFFFAOYSA-N 0 1 380.492 3.021 20 0 GGADMN COC[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)c1ccco1 ZINC000175179463 1427584765 /nfs/dbraw/zinc/58/47/65/1427584765.db2.gz RKIIBEDUFMSIHR-MSOLQXFVSA-N 0 1 387.480 3.112 20 0 GGADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ncncc1Cl ZINC000175180812 1427586584 /nfs/dbraw/zinc/58/65/84/1427586584.db2.gz ZEUFRWKWXBJWQG-UHFFFAOYSA-N 0 1 388.836 3.183 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000175196707 1427593327 /nfs/dbraw/zinc/59/33/27/1427593327.db2.gz FZSHCMCSDQVTII-NQIIRXRSSA-N 0 1 388.556 3.320 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000175196657 1427593678 /nfs/dbraw/zinc/59/36/78/1427593678.db2.gz FZSHCMCSDQVTII-GHTZIAJQSA-N 0 1 388.556 3.320 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)C ZINC000825419097 1427594196 /nfs/dbraw/zinc/59/41/96/1427594196.db2.gz GTZZNGKQQLMNLK-UHFFFAOYSA-N 0 1 399.543 3.479 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419097 1427594198 /nfs/dbraw/zinc/59/41/98/1427594198.db2.gz GTZZNGKQQLMNLK-UHFFFAOYSA-N 0 1 399.543 3.479 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419097 1427594201 /nfs/dbraw/zinc/59/42/01/1427594201.db2.gz GTZZNGKQQLMNLK-UHFFFAOYSA-N 0 1 399.543 3.479 20 0 GGADMN O=C1CCCN1Cc1ccccc1CN[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175199400 1427595715 /nfs/dbraw/zinc/59/57/15/1427595715.db2.gz GDACBGKNNBVAJP-FQEVSTJZSA-N 0 1 397.906 3.358 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C12CCCC2 ZINC000175214325 1427606012 /nfs/dbraw/zinc/60/60/12/1427606012.db2.gz BMDAJNLHWHUKBX-UXHICEINSA-N 0 1 386.540 3.083 20 0 GGADMN c1cc(-c2nn[n-]n2)oc1C[NH2+]CCc1cccc(OCc2ccccc2)c1 ZINC000826522101 1427606675 /nfs/dbraw/zinc/60/66/75/1427606675.db2.gz LZOJEIXECSHMIR-UHFFFAOYSA-N 0 1 375.432 3.371 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000175215897 1427607518 /nfs/dbraw/zinc/60/75/18/1427607518.db2.gz IPOBCXBJOXKYAL-OAQYLSRUSA-N 0 1 378.520 3.320 20 0 GGADMN Cc1ccnc(N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312625 1427610439 /nfs/dbraw/zinc/61/04/39/1427610439.db2.gz KFJLDUWEHFPIAC-ZBFHGGJFSA-N 0 1 387.850 3.220 20 0 GGADMN Cc1ccnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312625 1427610444 /nfs/dbraw/zinc/61/04/44/1427610444.db2.gz KFJLDUWEHFPIAC-ZBFHGGJFSA-N 0 1 387.850 3.220 20 0 GGADMN Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312625 1427610446 /nfs/dbraw/zinc/61/04/46/1427610446.db2.gz KFJLDUWEHFPIAC-ZBFHGGJFSA-N 0 1 387.850 3.220 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000175221075 1427611054 /nfs/dbraw/zinc/61/10/54/1427611054.db2.gz NLMPODSBQORMCB-UHFFFAOYSA-N 0 1 396.274 3.171 20 0 GGADMN CCCOc1ccc(CCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000175220840 1427611101 /nfs/dbraw/zinc/61/11/01/1427611101.db2.gz MNDDEVVLFSQDGJ-UHFFFAOYSA-N 0 1 383.492 3.207 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175221049 1427611150 /nfs/dbraw/zinc/61/11/50/1427611150.db2.gz MWONGFVMXICWNO-XXBNENTESA-N 0 1 377.488 3.080 20 0 GGADMN C[C@@H](CCc1cccn1C)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175225344 1427612805 /nfs/dbraw/zinc/61/28/05/1427612805.db2.gz MPTVPLRMRRWCDN-KRWDZBQOSA-N 0 1 386.515 3.449 20 0 GGADMN CN(CCNC(=O)Nc1ccn(Cc2ccccc2)n1)Cc1ccc(F)cc1 ZINC000175233146 1427615771 /nfs/dbraw/zinc/61/57/71/1427615771.db2.gz MWYFHZCZSXWJHR-UHFFFAOYSA-N 0 1 381.455 3.324 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(N2CCCNC2=O)c1 ZINC000175241850 1427622564 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395.463 3.055 20 0 GGADMN CCSCC[C@H](C)N(C)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000175262069 1427632025 /nfs/dbraw/zinc/63/20/25/1427632025.db2.gz DAJLIIWEJAILEA-ZDUSSCGKSA-N 0 1 377.514 3.153 20 0 GGADMN CCSCC[C@H](C)N(C)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000175262069 1427632032 /nfs/dbraw/zinc/63/20/32/1427632032.db2.gz DAJLIIWEJAILEA-ZDUSSCGKSA-N 0 1 377.514 3.153 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C12CCCC2 ZINC000175261891 1427632319 /nfs/dbraw/zinc/63/23/19/1427632319.db2.gz XVFUNVQRICRAGU-DLBZAZTESA-N 0 1 399.495 3.017 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C12CCCC2 ZINC000175261891 1427632328 /nfs/dbraw/zinc/63/23/28/1427632328.db2.gz XVFUNVQRICRAGU-DLBZAZTESA-N 0 1 399.495 3.017 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822541582 1427634660 /nfs/dbraw/zinc/63/46/60/1427634660.db2.gz OJCHMUXXIMXNHW-GRDNDAEWSA-N 0 1 394.479 3.282 20 0 GGADMN CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000823973864 1427638745 /nfs/dbraw/zinc/63/87/45/1427638745.db2.gz LQZHTIACTDVCIT-HNNXBMFYSA-N 0 1 390.491 3.195 20 0 GGADMN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000175279162 1427643971 /nfs/dbraw/zinc/64/39/71/1427643971.db2.gz ZZUCJCQFVJNAAJ-UHFFFAOYSA-N 0 1 378.413 3.483 20 0 GGADMN Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c2cnn(C)c2n1 ZINC000175280673 1427644862 /nfs/dbraw/zinc/64/48/62/1427644862.db2.gz RJTPCRVDUNKSND-LJQANCHMSA-N 0 1 397.910 3.497 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C(C)=O)cs1 ZINC000175294931 1427653429 /nfs/dbraw/zinc/65/34/29/1427653429.db2.gz SARHSKOLLZKBJH-UHFFFAOYSA-N 0 1 387.505 3.354 20 0 GGADMN CCOCCOCc1cccc(NC(=O)c2nnc3ccccc3c2O)c1C ZINC000175296366 1427654250 /nfs/dbraw/zinc/65/42/50/1427654250.db2.gz AHWQJMLGIRDYTF-UHFFFAOYSA-N 0 1 381.432 3.037 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccccc1OC ZINC000175295572 1427654784 /nfs/dbraw/zinc/65/47/84/1427654784.db2.gz GCNJDRGKGSONHB-UHFFFAOYSA-N 0 1 383.492 3.027 20 0 GGADMN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)c1 ZINC000175297198 1427655562 /nfs/dbraw/zinc/65/55/62/1427655562.db2.gz UVEKKSSJUHDDLN-UHFFFAOYSA-N 0 1 383.492 3.488 20 0 GGADMN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)cc1 ZINC000175299185 1427657805 /nfs/dbraw/zinc/65/78/05/1427657805.db2.gz BDBFDJBVYNCPEC-UHFFFAOYSA-N 0 1 383.492 3.488 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)c1c(C)noc1C ZINC000175298800 1427658175 /nfs/dbraw/zinc/65/81/75/1427658175.db2.gz ZODVIVBZVWSVAB-AWEZNQCLSA-N 0 1 386.496 3.184 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(COC)cc1 ZINC000175299712 1427658702 /nfs/dbraw/zinc/65/87/02/1427658702.db2.gz XZJNJCAXFGOSJC-UHFFFAOYSA-N 0 1 383.492 3.236 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1ccccc1CC ZINC000175299736 1427658948 /nfs/dbraw/zinc/65/89/48/1427658948.db2.gz JVQJEHIUQSTEDK-UHFFFAOYSA-N 0 1 397.519 3.417 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](OC)c1ccccc1 ZINC000175301915 1427660813 /nfs/dbraw/zinc/66/08/13/1427660813.db2.gz SZHDQRMDEGKTDO-OAQYLSRUSA-N 0 1 383.492 3.163 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](OC)c1ccccc1 ZINC000175301934 1427660838 /nfs/dbraw/zinc/66/08/38/1427660838.db2.gz SZHDQRMDEGKTDO-NRFANRHFSA-N 0 1 383.492 3.163 20 0 GGADMN CCC[C@@](C)(CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821009341 1427662395 /nfs/dbraw/zinc/66/23/95/1427662395.db2.gz OZQPLUQVVRMEEV-NRFANRHFSA-N 0 1 381.480 3.086 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1noc2ccccc12 ZINC000175305267 1427664498 /nfs/dbraw/zinc/66/44/98/1427664498.db2.gz LKDVOGRCOFDJAW-UHFFFAOYSA-N 0 1 394.475 3.160 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cn1ccc2ccccc21 ZINC000175306051 1427665218 /nfs/dbraw/zinc/66/52/18/1427665218.db2.gz USXWATOJSHEBCM-UHFFFAOYSA-N 0 1 392.503 3.431 20 0 GGADMN CCc1nc2cc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)ccc2o1 ZINC000175313388 1427669607 /nfs/dbraw/zinc/66/96/07/1427669607.db2.gz SAHRQHDPEIQGHS-UHFFFAOYSA-N 0 1 380.429 3.028 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175316075 1427671920 /nfs/dbraw/zinc/67/19/20/1427671920.db2.gz CDFUKONFIURYMF-OAQYLSRUSA-N 0 1 385.552 3.114 20 0 GGADMN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cc(F)cc2[nH]cnc21 ZINC000175317778 1427673627 /nfs/dbraw/zinc/67/36/27/1427673627.db2.gz PLWYSCOTGCQOTJ-UHFFFAOYSA-N 0 1 397.801 3.461 20 0 GGADMN COCCOc1ccc(F)cc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175322818 1427677771 /nfs/dbraw/zinc/67/77/71/1427677771.db2.gz IYUDBYAPBZKCED-UHFFFAOYSA-N 0 1 393.434 3.244 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000175324799 1427679225 /nfs/dbraw/zinc/67/92/25/1427679225.db2.gz BWNKSVNHCGSHBE-NRFANRHFSA-N 0 1 388.458 3.335 20 0 GGADMN CC(C)OCc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000175325640 1427679820 /nfs/dbraw/zinc/67/98/20/1427679820.db2.gz KTCUGJZBEBZUKI-UHFFFAOYSA-N 0 1 383.473 3.249 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)C(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000175325457 1427679851 /nfs/dbraw/zinc/67/98/51/1427679851.db2.gz KJAOEZZPNFQJJS-LVIWNVNYSA-N 0 1 399.579 3.407 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000175329269 1427682303 /nfs/dbraw/zinc/68/23/03/1427682303.db2.gz FGPCOBZXVIIJOR-LJQANCHMSA-N 0 1 385.552 3.114 20 0 GGADMN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000175337609 1427688426 /nfs/dbraw/zinc/68/84/26/1427688426.db2.gz MAGWPSQPQZVZQE-MRXNPFEDSA-N 0 1 396.528 3.002 20 0 GGADMN CC[C@@H](NC(=O)N1CC[C@H](N2CCN(CC)CC2)C1)C(C)(C)c1ccccc1 ZINC000175350176 1427697897 /nfs/dbraw/zinc/69/78/97/1427697897.db2.gz DLLURFMUNDUFDM-LEWJYISDSA-N 0 1 386.584 3.164 20 0 GGADMN CC[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cc(F)ccc1F ZINC000820926666 1427700277 /nfs/dbraw/zinc/70/02/77/1427700277.db2.gz UWOPUUKIKQXISL-GOSISDBHSA-N 0 1 399.449 3.250 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(OCC2CC2)cc1 ZINC000175355168 1427701470 /nfs/dbraw/zinc/70/14/70/1427701470.db2.gz RRUFVRLNMLAKLM-UHFFFAOYSA-N 0 1 381.457 3.113 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC1CCN(Cc2ccccn2)CC1)c1cccnc1 ZINC000175355416 1427702023 /nfs/dbraw/zinc/70/20/23/1427702023.db2.gz DPYCFIMQHGPZPD-OAQYLSRUSA-N 0 1 381.524 3.180 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000820427495 1427710034 /nfs/dbraw/zinc/71/00/34/1427710034.db2.gz RXGOTADYJCJRTQ-OAHLLOKOSA-N 0 1 389.463 3.030 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000175367036 1427710609 /nfs/dbraw/zinc/71/06/09/1427710609.db2.gz NYAUITAKVMNFOQ-NZQKXSOJSA-N 0 1 378.516 3.276 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000175367053 1427710950 /nfs/dbraw/zinc/71/09/50/1427710950.db2.gz NYAUITAKVMNFOQ-NFBKMPQASA-N 0 1 378.516 3.276 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175366669 1427711085 /nfs/dbraw/zinc/71/10/85/1427711085.db2.gz BBMJDFKCMSXHAQ-UKRRQHHQSA-N 0 1 397.475 3.229 20 0 GGADMN CCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H](C)c1cccc(OC)c1 ZINC000175374220 1427715915 /nfs/dbraw/zinc/71/59/15/1427715915.db2.gz HTKZEJVOPXXCPM-AWEZNQCLSA-N 0 1 397.500 3.304 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@@H](C)c3cccc(OC)c3)n2)cc1 ZINC000175376240 1427717856 /nfs/dbraw/zinc/71/78/56/1427717856.db2.gz VSDCSVGXNXPLPV-CQSZACIVSA-N 0 1 380.448 3.299 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@@H](C)c3cccc(OC)c3)n[nH]2)cc1 ZINC000175376240 1427717864 /nfs/dbraw/zinc/71/78/64/1427717864.db2.gz VSDCSVGXNXPLPV-CQSZACIVSA-N 0 1 380.448 3.299 20 0 GGADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175380999 1427720340 /nfs/dbraw/zinc/72/03/40/1427720340.db2.gz SOCWRXWZRFBQFA-UHFFFAOYSA-N 0 1 376.460 3.038 20 0 GGADMN COc1cccc(COC[C@@H](O)CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000175389971 1427726371 /nfs/dbraw/zinc/72/63/71/1427726371.db2.gz IZGJZZYPFFSMPC-OXSPQAICSA-N 0 1 391.533 3.003 20 0 GGADMN CC1(C)CN(C(=O)c2cc(Br)sc2Br)CCN1 ZINC000175404337 1427735333 /nfs/dbraw/zinc/73/53/33/1427735333.db2.gz OWZUKLBQQBNMOK-UHFFFAOYSA-N 0 1 382.121 3.097 20 0 GGADMN COc1cccc(COC[C@@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175389909 1427726746 /nfs/dbraw/zinc/72/67/46/1427726746.db2.gz IZGJZZYPFFSMPC-FZBPCLLLSA-N 0 1 391.533 3.003 20 0 GGADMN COCCCOc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000175391386 1427727877 /nfs/dbraw/zinc/72/78/77/1427727877.db2.gz YKGKDLBPHKOFGO-GOSISDBHSA-N 0 1 382.504 3.279 20 0 GGADMN Cc1cnc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000175397845 1427731424 /nfs/dbraw/zinc/73/14/24/1427731424.db2.gz LGTOQJZXGWTCBI-HUUCEWRRSA-N 0 1 388.537 3.060 20 0 GGADMN Cc1cccc2nc(CCC(=O)NC[C@@H](C)N3CCc4sccc4C3)[nH]c21 ZINC000175409257 1427738054 /nfs/dbraw/zinc/73/80/54/1427738054.db2.gz BXHDWZKFPVLXTE-OAHLLOKOSA-N 0 1 382.533 3.428 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CCO2)n[nH]1 ZINC000175411204 1427740427 /nfs/dbraw/zinc/74/04/27/1427740427.db2.gz MHKYVEFKJKGNTG-QZTJIDSGSA-N 0 1 387.459 3.267 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)CCO2)n[nH]1 ZINC000175413786 1427741164 /nfs/dbraw/zinc/74/11/64/1427741164.db2.gz RSVAQFSDJPUASN-JKSUJKDBSA-N 0 1 375.448 3.123 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)COCc1ccccc1F ZINC000175414757 1427741666 /nfs/dbraw/zinc/74/16/66/1427741666.db2.gz QUGZJGPMGRRYQI-NAXVTNAXSA-N 0 1 379.497 3.134 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)COCc1ccccc1F ZINC000175414737 1427741801 /nfs/dbraw/zinc/74/18/01/1427741801.db2.gz QUGZJGPMGRRYQI-XOETXKDRSA-N 0 1 379.497 3.134 20 0 GGADMN COC(=O)c1cccc(OCCN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175419461 1427745098 /nfs/dbraw/zinc/74/50/98/1427745098.db2.gz CFMURBTVTOFPAN-HAWMADMCSA-N 0 1 375.490 3.282 20 0 GGADMN C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000175425219 1427747521 /nfs/dbraw/zinc/74/75/21/1427747521.db2.gz BJNCVFLHDPJUQI-GFCCVEGCSA-N 0 1 394.880 3.471 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCC2(CN3CCOCC3)CCCCC2)cs1 ZINC000175424847 1427747762 /nfs/dbraw/zinc/74/77/62/1427747762.db2.gz LDCATFJMTBAENO-INIZCTEOSA-N 0 1 394.585 3.348 20 0 GGADMN CC(C)(O)CN1CCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000175425919 1427748214 /nfs/dbraw/zinc/74/82/14/1427748214.db2.gz GEMUYRKHJRFXMA-HXUWFJFHSA-N 0 1 392.503 3.215 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000175431151 1427751236 /nfs/dbraw/zinc/75/12/36/1427751236.db2.gz WJRVDDAVDYRWGW-ULQDDVLXSA-N 0 1 393.959 3.281 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000175431105 1427751710 /nfs/dbraw/zinc/75/17/10/1427751710.db2.gz WJRVDDAVDYRWGW-YESZJQIVSA-N 0 1 393.959 3.281 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)o1 ZINC000175431638 1427752361 /nfs/dbraw/zinc/75/23/61/1427752361.db2.gz BDFPZWVZNBRANY-IRXDYDNUSA-N 0 1 375.469 3.313 20 0 GGADMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000175450822 1427761566 /nfs/dbraw/zinc/76/15/66/1427761566.db2.gz SRXJYALYCFWOGF-UHFFFAOYSA-N 0 1 382.570 3.152 20 0 GGADMN Brc1cccc(CCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000819688013 1427764050 /nfs/dbraw/zinc/76/40/50/1427764050.db2.gz BAMCJIIUHKGOQV-UHFFFAOYSA-N 0 1 378.299 3.413 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2ccccn2c1 ZINC000175457911 1427765688 /nfs/dbraw/zinc/76/56/88/1427765688.db2.gz RUKVOTBTUMWDKZ-UHFFFAOYSA-N 0 1 378.476 3.342 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(OC3CCC3)c(F)c2)C[C@@H](C)O1 ZINC000175475185 1427774475 /nfs/dbraw/zinc/77/44/75/1427774475.db2.gz YSIYUSDPGYJPSH-HUUCEWRRSA-N 0 1 379.476 3.378 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCCNC(=O)c3ccccc3Cl)[nH]c21 ZINC000175474406 1427774790 /nfs/dbraw/zinc/77/47/90/1427774790.db2.gz PJWSKIYIFOZJJI-UHFFFAOYSA-N 0 1 384.867 3.004 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000175474273 1427775161 /nfs/dbraw/zinc/77/51/61/1427775161.db2.gz KUWJNZRKMSSRMI-UHFFFAOYSA-N 0 1 377.383 3.061 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCCc3cc(F)cc4c3OCOC4)[nH]c21 ZINC000175482271 1427778807 /nfs/dbraw/zinc/77/88/07/1427778807.db2.gz OXGDBHQNLJIHPB-UHFFFAOYSA-N 0 1 383.423 3.168 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000175480834 1427778938 /nfs/dbraw/zinc/77/89/38/1427778938.db2.gz MMQZIBRQAGXZDG-BONVTDFDSA-N 0 1 398.294 3.134 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000175480874 1427779224 /nfs/dbraw/zinc/77/92/24/1427779224.db2.gz MMQZIBRQAGXZDG-BMIGLBTASA-N 0 1 398.294 3.134 20 0 GGADMN FC(F)(F)c1ccc(-c2noc(CN3CCN(C4CCOCC4)CC3)n2)cc1 ZINC000175488220 1427783155 /nfs/dbraw/zinc/78/31/55/1427783155.db2.gz KEVDPLXYLSFLFF-UHFFFAOYSA-N 0 1 396.413 3.052 20 0 GGADMN CCc1ccc([C@H](C)NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000175488999 1427783562 /nfs/dbraw/zinc/78/35/62/1427783562.db2.gz BQRGOXLHOLHIAP-HOTGVXAUSA-N 0 1 385.483 3.032 20 0 GGADMN CCc1ccc([C@@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000175489020 1427784177 /nfs/dbraw/zinc/78/41/77/1427784177.db2.gz BQRGOXLHOLHIAP-HZPDHXFCSA-N 0 1 385.483 3.032 20 0 GGADMN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000175489922 1427784787 /nfs/dbraw/zinc/78/47/87/1427784787.db2.gz DLCMCESYLNBSRY-MJGOQNOKSA-N 0 1 399.491 3.238 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)CCO2)n[nH]1 ZINC000175503951 1427793784 /nfs/dbraw/zinc/79/37/84/1427793784.db2.gz JXXOSCQLSGNUIB-IRXDYDNUSA-N 0 1 389.887 3.391 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)c2cnn(C)c2n1 ZINC000175506287 1427794377 /nfs/dbraw/zinc/79/43/77/1427794377.db2.gz PLSUEGFXJOBUBY-UHFFFAOYSA-N 0 1 383.540 3.249 20 0 GGADMN C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627578 1427795519 /nfs/dbraw/zinc/79/55/19/1427795519.db2.gz ZALAIQVGEVJNAP-SNVBAGLBSA-N 0 1 396.348 3.193 20 0 GGADMN CC[C@@H](C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175508336 1427796307 /nfs/dbraw/zinc/79/63/07/1427796307.db2.gz FEEJYLLCADKBJT-CRAIPNDOSA-N 0 1 384.442 3.380 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1)C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139094448 1427800362 /nfs/dbraw/zinc/80/03/62/1427800362.db2.gz BOZYXTMLMGJIGH-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139094448 1427800370 /nfs/dbraw/zinc/80/03/70/1427800370.db2.gz BOZYXTMLMGJIGH-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139094448 1427800378 /nfs/dbraw/zinc/80/03/78/1427800378.db2.gz BOZYXTMLMGJIGH-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)n(-c2nc(C)cc(C)n2)n1 ZINC000175529079 1427804889 /nfs/dbraw/zinc/80/48/89/1427804889.db2.gz HKCUJGGSUMXWMY-LJQANCHMSA-N 0 1 390.491 3.145 20 0 GGADMN Cc1cc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)n(-c2nc(C)cc(C)n2)n1 ZINC000175529079 1427804893 /nfs/dbraw/zinc/80/48/93/1427804893.db2.gz HKCUJGGSUMXWMY-LJQANCHMSA-N 0 1 390.491 3.145 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3ccccc3Cl)C(C)C)CCO2)n[nH]1 ZINC000175541775 1427809086 /nfs/dbraw/zinc/80/90/86/1427809086.db2.gz JFNWSLVJYFSSDS-JKSUJKDBSA-N 0 1 377.876 3.247 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N(CCO)[C@H]1CCc2ccccc21 ZINC000175541291 1427809167 /nfs/dbraw/zinc/80/91/67/1427809167.db2.gz UKXHWRBNYFCZIY-LEWJYISDSA-N 0 1 397.519 3.498 20 0 GGADMN CC[C@@H](NC(=O)NCCCN1CCN(c2cccc(C)c2)CC1)c1ccncc1 ZINC000175549166 1427811536 /nfs/dbraw/zinc/81/15/36/1427811536.db2.gz KEUTZWOBDFRMDE-JOCHJYFZSA-N 0 1 395.551 3.353 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(CCO)[C@H]1CCc2ccccc21 ZINC000175554466 1427813664 /nfs/dbraw/zinc/81/36/64/1427813664.db2.gz SKRWABMUGVECDA-VQTJNVASSA-N 0 1 383.492 3.108 20 0 GGADMN COc1ccc(C(=O)CCC(=O)NCCCN2CCc3ccccc3C2)cc1F ZINC000175565261 1427817088 /nfs/dbraw/zinc/81/70/88/1427817088.db2.gz GVKTVJHMOXORDW-UHFFFAOYSA-N 0 1 398.478 3.362 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175570232 1427817983 /nfs/dbraw/zinc/81/79/83/1427817983.db2.gz BIMGGEQSYKRCTO-CABCVRRESA-N 0 1 385.430 3.130 20 0 GGADMN CC[C@H](Oc1ccccc1F)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000175572073 1427819311 /nfs/dbraw/zinc/81/93/11/1427819311.db2.gz BYGREWSDPZVXMS-INIZCTEOSA-N 0 1 384.411 3.093 20 0 GGADMN CC[C@H](Oc1ccccc1F)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000175572073 1427819312 /nfs/dbraw/zinc/81/93/12/1427819312.db2.gz BYGREWSDPZVXMS-INIZCTEOSA-N 0 1 384.411 3.093 20 0 GGADMN CCSCC[C@H](C)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000175590583 1427824680 /nfs/dbraw/zinc/82/46/80/1427824680.db2.gz SOJQUNWLNGQJFW-ZDUSSCGKSA-N 0 1 379.551 3.065 20 0 GGADMN O=C(NCC1(CCO)CCCCC1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175590921 1427824774 /nfs/dbraw/zinc/82/47/74/1427824774.db2.gz SBUKPSMVOIQFRX-UHFFFAOYSA-N 0 1 391.531 3.422 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000175591121 1427824855 /nfs/dbraw/zinc/82/48/55/1427824855.db2.gz QWABVVIOOMUFBM-RGXXSHLXSA-N 0 1 389.887 3.247 20 0 GGADMN CC1CCN(c2ccc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2)CC1 ZINC000175593238 1427825683 /nfs/dbraw/zinc/82/56/83/1427825683.db2.gz OZPVIQQKFHTDIJ-UHFFFAOYSA-N 0 1 386.540 3.251 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCC2)c(-c2nnn[n-]2)c1C ZINC000822548287 1427826180 /nfs/dbraw/zinc/82/61/80/1427826180.db2.gz HFIFPXPBIWLLAA-UHFFFAOYSA-N 0 1 394.479 3.317 20 0 GGADMN Brc1cccc(C2([NH2+]Cc3ccnc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000823832839 1427830637 /nfs/dbraw/zinc/83/06/37/1427830637.db2.gz WIXKWVLCZLQTKA-UHFFFAOYSA-N 0 1 385.269 3.193 20 0 GGADMN CC(C)[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)c1cccnc1 ZINC000175618475 1427833793 /nfs/dbraw/zinc/83/37/93/1427833793.db2.gz SJNZKENZFXQKDL-FQEVSTJZSA-N 0 1 388.556 3.156 20 0 GGADMN CC(C)[NH+](CCSCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(C)C ZINC000824293674 1427836547 /nfs/dbraw/zinc/83/65/47/1427836547.db2.gz WHRHZOGNPMULLX-UHFFFAOYSA-N 0 1 387.513 3.269 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)c1cccs1 ZINC000175627566 1427837449 /nfs/dbraw/zinc/83/74/49/1427837449.db2.gz GOFZZJKIOLNVTP-ROUUACIJSA-N 0 1 395.569 3.111 20 0 GGADMN O[C@@H](C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675380 1427838182 /nfs/dbraw/zinc/83/81/82/1427838182.db2.gz WLWSXVYQJKRAMN-NRFANRHFSA-N 0 1 388.475 3.261 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826329052 1427841830 /nfs/dbraw/zinc/84/18/30/1427841830.db2.gz OPIKMPCWOGZGJH-QGZVFWFLSA-N 0 1 391.454 3.329 20 0 GGADMN Cc1nc(C(F)(F)F)ccc1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175646413 1427842900 /nfs/dbraw/zinc/84/29/00/1427842900.db2.gz RUEMFGQZSOYVRF-UHFFFAOYSA-N 0 1 399.457 3.421 20 0 GGADMN O=C(Cc1c[nH]c2cc(F)ccc12)NCC1(CN2CCOCC2)CCCCC1 ZINC000175647526 1427843318 /nfs/dbraw/zinc/84/33/18/1427843318.db2.gz VJSCKTTURCPGCY-UHFFFAOYSA-N 0 1 387.499 3.248 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)NCC1(CN2CCOCC2)CCCCC1 ZINC000175648652 1427844073 /nfs/dbraw/zinc/84/40/73/1427844073.db2.gz MCNUPJPLSXTSID-UHFFFAOYSA-N 0 1 383.536 3.499 20 0 GGADMN CCOc1ccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1OC ZINC000175650864 1427844426 /nfs/dbraw/zinc/84/44/26/1427844426.db2.gz SKVZNFVSXVNZCJ-UHFFFAOYSA-N 0 1 390.524 3.106 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cccc(NC(=O)C2CC2)c1 ZINC000175653055 1427845267 /nfs/dbraw/zinc/84/52/67/1427845267.db2.gz BAVQKOIOWAQFQH-UHFFFAOYSA-N 0 1 399.535 3.048 20 0 GGADMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175655479 1427846260 /nfs/dbraw/zinc/84/62/60/1427846260.db2.gz CIHPMDNASGOHES-PBHICJAKSA-N 0 1 395.956 3.241 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)[C@H]1SCCc2sccc21 ZINC000175655833 1427846370 /nfs/dbraw/zinc/84/63/70/1427846370.db2.gz SFJYEEIWCSIDPY-SFHVURJKSA-N 0 1 394.606 3.477 20 0 GGADMN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000175658352 1427847024 /nfs/dbraw/zinc/84/70/24/1427847024.db2.gz FFBZTKIRFXSWNP-HRAATJIYSA-N 0 1 389.515 3.203 20 0 GGADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000175658372 1427847679 /nfs/dbraw/zinc/84/76/79/1427847679.db2.gz FFBZTKIRFXSWNP-IERDGZPVSA-N 0 1 389.515 3.203 20 0 GGADMN CC1=NN(c2ccc(C(=O)NCC3(CN4CCOCC4)CCCCC3)cc2)CC1 ZINC000175660249 1427847869 /nfs/dbraw/zinc/84/78/69/1427847869.db2.gz ZBBMACAVBBNQHP-UHFFFAOYSA-N 0 1 398.551 3.285 20 0 GGADMN CCN(C)[C@H](C(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 ZINC000175667752 1427850705 /nfs/dbraw/zinc/85/07/05/1427850705.db2.gz OPVORHMFKCTZLJ-AEFFLSMTSA-N 0 1 385.474 3.412 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)on2)cc1 ZINC000175667827 1427850745 /nfs/dbraw/zinc/85/07/45/1427850745.db2.gz LBKRGRMTZZWEKV-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN O=C(CCCc1nc2ccccc2[nH]1)NC1CCN(Cc2cccnc2)CC1 ZINC000175669787 1427851116 /nfs/dbraw/zinc/85/11/16/1427851116.db2.gz RYYQAKBLPKWXTM-UHFFFAOYSA-N 0 1 377.492 3.061 20 0 GGADMN COc1ccc(OCCCC(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000175669223 1427851125 /nfs/dbraw/zinc/85/11/25/1427851125.db2.gz SKPVIHJOGTYXDF-UHFFFAOYSA-N 0 1 383.492 3.030 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@@H+]3CCOCC34CCC4)c2)c1 ZINC000826515487 1427853462 /nfs/dbraw/zinc/85/34/62/1427853462.db2.gz ADLAWNCLJFPAGL-UHFFFAOYSA-N 0 1 391.475 3.201 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@H+]3CCOCC34CCC4)c2)c1 ZINC000826515487 1427853469 /nfs/dbraw/zinc/85/34/69/1427853469.db2.gz ADLAWNCLJFPAGL-UHFFFAOYSA-N 0 1 391.475 3.201 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000175684798 1427856143 /nfs/dbraw/zinc/85/61/43/1427856143.db2.gz YKFGKWYGJKXWDO-AWEZNQCLSA-N 0 1 391.903 3.434 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc4ccc(Cl)cc4n3)cn2)CC1 ZINC000175702018 1427863805 /nfs/dbraw/zinc/86/38/05/1427863805.db2.gz ZUNAEMBNCBIAPS-UHFFFAOYSA-N 0 1 381.867 3.287 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3CN3CCOCC3)[nH]c21 ZINC000175705700 1427864953 /nfs/dbraw/zinc/86/49/53/1427864953.db2.gz RIMHRVVFHLIORE-UHFFFAOYSA-N 0 1 378.476 3.275 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000175706451 1427865706 /nfs/dbraw/zinc/86/57/06/1427865706.db2.gz GAUSMMGTKQBJME-LRDDRELGSA-N 0 1 382.386 3.165 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000175709986 1427866545 /nfs/dbraw/zinc/86/65/45/1427866545.db2.gz RWQKQEAESLMNFH-LLVKDONJSA-N 0 1 395.843 3.492 20 0 GGADMN C[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000175709969 1427866696 /nfs/dbraw/zinc/86/66/96/1427866696.db2.gz RWQKQEAESLMNFH-NSHDSACASA-N 0 1 395.843 3.492 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000175712811 1427867506 /nfs/dbraw/zinc/86/75/06/1427867506.db2.gz WHRYRSFNEGNJHG-UHFFFAOYSA-N 0 1 381.904 3.456 20 0 GGADMN O=C(Nc1cccc(N2CCCCCC2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175720829 1427869538 /nfs/dbraw/zinc/86/95/38/1427869538.db2.gz MIBAJPSTDYTJCE-UHFFFAOYSA-N 0 1 386.540 3.396 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1ccco1 ZINC000175723904 1427870363 /nfs/dbraw/zinc/87/03/63/1427870363.db2.gz AEYAJIVXFZVCMO-RTBURBONSA-N 0 1 393.528 3.032 20 0 GGADMN CN(CCNC(=O)N[C@H]1CCOc2ccc(F)cc21)Cc1ccc(F)cc1 ZINC000175750603 1427878467 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C[C@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578063 1427884871 /nfs/dbraw/zinc/88/48/71/1427884871.db2.gz PWRSCMMGCXEXEQ-YVEFUNNKSA-N 0 1 382.855 3.364 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000175768028 1427885380 /nfs/dbraw/zinc/88/53/80/1427885380.db2.gz XGEVKMLDHBCYME-INIZCTEOSA-N 0 1 394.510 3.055 20 0 GGADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821013998 1427886643 /nfs/dbraw/zinc/88/66/43/1427886643.db2.gz AGIODTNVGGDSCR-RISCZKNCSA-N 0 1 376.530 3.384 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c(F)cc1F ZINC000175771091 1427887145 /nfs/dbraw/zinc/88/71/45/1427887145.db2.gz KDUPNZMYJGNEFU-CYBMUJFWSA-N 0 1 382.432 3.299 20 0 GGADMN Cc1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(F)cc1F ZINC000175778301 1427889629 /nfs/dbraw/zinc/88/96/29/1427889629.db2.gz APEZRJIJQNXVFV-UHFFFAOYSA-N 0 1 380.460 3.216 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H](O)c1ccc(F)cc1 ZINC000820091860 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COc1ccc(-c2nc(CNC(=O)NC[C@@H](c3cccnc3)C(C)C)n[nH]2)cc1 ZINC000175809527 1427903120 /nfs/dbraw/zinc/90/31/20/1427903120.db2.gz JVAGORAYGMJCRI-GOSISDBHSA-N 0 1 394.479 3.114 20 0 GGADMN COc1ccc(CN(C)C(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175813780 1427905365 /nfs/dbraw/zinc/90/53/65/1427905365.db2.gz KUMKCFUEYLQUPK-MJGOQNOKSA-N 0 1 388.533 3.303 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175814299 1427906601 /nfs/dbraw/zinc/90/66/01/1427906601.db2.gz SWCKHJOOACJLEJ-AEFFLSMTSA-N 0 1 376.497 3.434 20 0 GGADMN Cc1csc([C@@H](NC(=O)NCCN(C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000175817069 1427908540 /nfs/dbraw/zinc/90/85/40/1427908540.db2.gz QIXIFVGHRBOZPP-KRWDZBQOSA-N 0 1 376.501 3.473 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175823912 1427912565 /nfs/dbraw/zinc/91/25/65/1427912565.db2.gz BBLPGCIRVBFTHA-ROUUACIJSA-N 0 1 376.497 3.434 20 0 GGADMN CCn1c(SCC(=O)Nc2ccc3[nH]nnc3c2)nnc1-c1ccccc1C ZINC000175826510 1427914275 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GGADMN Cc1ccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1F ZINC000175839442 1427922429 /nfs/dbraw/zinc/92/24/29/1427922429.db2.gz IDJJPQUQWDXWOJ-WMZOPIPTSA-N 0 1 376.497 3.400 20 0 GGADMN O=C(N1CCN(C2CCOCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000175840530 1427922931 /nfs/dbraw/zinc/92/29/31/1427922931.db2.gz DYFGMBQSRGCGCV-UHFFFAOYSA-N 0 1 382.426 3.060 20 0 GGADMN CC(C)(C(=O)N1CCN(C2CCOCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175843493 1427924718 /nfs/dbraw/zinc/92/47/18/1427924718.db2.gz ZGIVGMHDCHENCH-UHFFFAOYSA-N 0 1 384.442 3.306 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175844267 1427925629 /nfs/dbraw/zinc/92/56/29/1427925629.db2.gz IJWANFDKYIJBBN-HNNXBMFYSA-N 0 1 384.442 3.207 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1Oc1ccncc1 ZINC000175844104 1427925969 /nfs/dbraw/zinc/92/59/69/1427925969.db2.gz FPNZCGHMWCWJOZ-UHFFFAOYSA-N 0 1 381.476 3.119 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820702964 1427927071 /nfs/dbraw/zinc/92/70/71/1427927071.db2.gz BXUBFKQOPWWMJM-MRXNPFEDSA-N 0 1 397.527 3.375 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820702964 1427927076 /nfs/dbraw/zinc/92/70/76/1427927076.db2.gz BXUBFKQOPWWMJM-MRXNPFEDSA-N 0 1 397.527 3.375 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820702964 1427927079 /nfs/dbraw/zinc/92/70/79/1427927079.db2.gz BXUBFKQOPWWMJM-MRXNPFEDSA-N 0 1 397.527 3.375 20 0 GGADMN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175846116 1427927923 /nfs/dbraw/zinc/92/79/23/1427927923.db2.gz HMDOKRKJZOVZFP-OXQOHEQNSA-N 0 1 386.517 3.221 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000175847326 1427928781 /nfs/dbraw/zinc/92/87/81/1427928781.db2.gz ULFVTXBNFHRBLH-ZBFHGGJFSA-N 0 1 379.913 3.066 20 0 GGADMN CCc1ccc(-c2nc(CC(=O)N3CCN(C4CCOCC4)CC3)cs2)cc1 ZINC000175849810 1427931898 /nfs/dbraw/zinc/93/18/98/1427931898.db2.gz JBYUUSBDNBJRRY-UHFFFAOYSA-N 0 1 399.560 3.238 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000175854157 1427933926 /nfs/dbraw/zinc/93/39/26/1427933926.db2.gz YAHWOUMBOQKSIC-QZTJIDSGSA-N 0 1 382.426 3.132 20 0 GGADMN C[C@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000175856009 1427934747 /nfs/dbraw/zinc/93/47/47/1427934747.db2.gz QSCNIRLKLARNGD-RYRKJORJSA-N 0 1 377.504 3.102 20 0 GGADMN C[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000175855973 1427934916 /nfs/dbraw/zinc/93/49/16/1427934916.db2.gz QSCNIRLKLARNGD-SOLBZPMBSA-N 0 1 377.504 3.102 20 0 GGADMN COc1ccc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)cc1 ZINC000175858458 1427936035 /nfs/dbraw/zinc/93/60/35/1427936035.db2.gz HDLXRFGUEZOGHV-UHFFFAOYSA-N 0 1 398.478 3.438 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000175859433 1427937105 /nfs/dbraw/zinc/93/71/05/1427937105.db2.gz XYIMFKYMIGWRHJ-UHFFFAOYSA-N 0 1 375.860 3.092 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccc(F)cc1 ZINC000175859826 1427937181 /nfs/dbraw/zinc/93/71/81/1427937181.db2.gz GCBPSOMCSVSUDY-YHAMSUFESA-N 0 1 381.448 3.127 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821001172 1427937825 /nfs/dbraw/zinc/93/78/25/1427937825.db2.gz PHJNMNQGXDQZTN-IBGZPJMESA-N 0 1 376.464 3.205 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000175861571 1427938007 /nfs/dbraw/zinc/93/80/07/1427938007.db2.gz DFWXJOCIMRPZAK-UHFFFAOYSA-N 0 1 395.290 3.401 20 0 GGADMN C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1c(F)cccc1Cl ZINC000175860685 1427938030 /nfs/dbraw/zinc/93/80/30/1427938030.db2.gz CRXNBXZUHFQWQU-SNVBAGLBSA-N 0 1 391.855 3.355 20 0 GGADMN C/C(=C\C(=O)N1CCN(C2CCOCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175865818 1427941508 /nfs/dbraw/zinc/94/15/08/1427941508.db2.gz LOANLLUDOZNKQS-FYWRMAATSA-N 0 1 382.426 3.432 20 0 GGADMN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000175870142 1427942864 /nfs/dbraw/zinc/94/28/64/1427942864.db2.gz KUYFDPHXHFEVAX-UHFFFAOYSA-N 0 1 387.524 3.397 20 0 GGADMN C[C@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)N1CCc2ccccc2C1 ZINC000175869359 1427943004 /nfs/dbraw/zinc/94/30/04/1427943004.db2.gz YMKPTRZAADNNKX-UULLZXFKSA-N 0 1 399.560 3.012 20 0 GGADMN C[C@@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)N1CCc2ccccc2C1 ZINC000175869622 1427943079 /nfs/dbraw/zinc/94/30/79/1427943079.db2.gz GXKUACJFFLFCKR-FDDCHVKYSA-N 0 1 393.531 3.125 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)N1CCc2ccccc2C1 ZINC000175871005 1427943966 /nfs/dbraw/zinc/94/39/66/1427943966.db2.gz IXOYZQKGCIBVFD-PGGUUEOZSA-N 0 1 389.496 3.131 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)N1CCc2ccccc2C1 ZINC000175871024 1427943987 /nfs/dbraw/zinc/94/39/87/1427943987.db2.gz IXOYZQKGCIBVFD-LOKFHWFJSA-N 0 1 389.496 3.131 20 0 GGADMN C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824605151 1427944075 /nfs/dbraw/zinc/94/40/75/1427944075.db2.gz FURMZKKDCQQAKN-QAPCUYQASA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824605151 1427944079 /nfs/dbraw/zinc/94/40/79/1427944079.db2.gz FURMZKKDCQQAKN-QAPCUYQASA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824605151 1427944085 /nfs/dbraw/zinc/94/40/85/1427944085.db2.gz FURMZKKDCQQAKN-QAPCUYQASA-N 0 1 380.471 3.006 20 0 GGADMN CC(C)N1CCC[C@@H](N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)C1=O ZINC000175871533 1427944918 /nfs/dbraw/zinc/94/49/18/1427944918.db2.gz CFSZJOMZVPRJDG-LJQANCHMSA-N 0 1 393.572 3.497 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1F ZINC000175874152 1427945429 /nfs/dbraw/zinc/94/54/29/1427945429.db2.gz DYJWMPKNXHKQPM-MHZLTWQESA-N 0 1 389.496 3.303 20 0 GGADMN C[S@@](=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1F ZINC000175874137 1427945708 /nfs/dbraw/zinc/94/57/08/1427945708.db2.gz DYJWMPKNXHKQPM-HHHXNRCGSA-N 0 1 389.496 3.303 20 0 GGADMN C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000736199885 1427946036 /nfs/dbraw/zinc/94/60/36/1427946036.db2.gz BNFWNSVNSXWITJ-OAHLLOKOSA-N 0 1 389.507 3.388 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1cccc(F)c1 ZINC000175874604 1427946310 /nfs/dbraw/zinc/94/63/10/1427946310.db2.gz QNTMIQHMRSWIMA-YHAMSUFESA-N 0 1 381.448 3.127 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)c1cccc(F)c1 ZINC000175874574 1427946348 /nfs/dbraw/zinc/94/63/48/1427946348.db2.gz QNTMIQHMRSWIMA-QMTYFTJSSA-N 0 1 381.448 3.127 20 0 GGADMN CCOC(=O)[C@H](CNC(=O)CCc1nc2cccc(C)c2[nH]1)Cc1ccccc1 ZINC000175875873 1427947043 /nfs/dbraw/zinc/94/70/43/1427947043.db2.gz CISGGLLLPIVAPV-SFHVURJKSA-N 0 1 393.487 3.342 20 0 GGADMN C[NH+]1CCN(c2ccc(N[C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)cc2)CC1 ZINC000826045417 1427947904 /nfs/dbraw/zinc/94/79/04/1427947904.db2.gz VXJLATSDGVBADC-OAQYLSRUSA-N 0 1 389.507 3.108 20 0 GGADMN Fc1cccc(Cl)c1[C@@H](CNc1cccc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC000737661286 1427952273 /nfs/dbraw/zinc/95/22/73/1427952273.db2.gz OFEQBZOEXXKZQD-OAHLLOKOSA-N 0 1 387.850 3.303 20 0 GGADMN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175891838 1427954944 /nfs/dbraw/zinc/95/49/44/1427954944.db2.gz UPJSAMNCABNVQE-UWJYYQICSA-N 0 1 389.515 3.421 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1)c1cccs1 ZINC000826502636 1427961478 /nfs/dbraw/zinc/96/14/78/1427961478.db2.gz HNEAUQPKBWBIEJ-INIZCTEOSA-N 0 1 381.461 3.257 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736390186 1427963709 /nfs/dbraw/zinc/96/37/09/1427963709.db2.gz HPUBECOZDCZVDY-FQEVSTJZSA-N 0 1 398.461 3.414 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1cccs1 ZINC000175909777 1427966293 /nfs/dbraw/zinc/96/62/93/1427966293.db2.gz NNVHCYXLUXGRSO-RTBURBONSA-N 0 1 387.549 3.432 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)c1ccco1 ZINC000175914364 1427968294 /nfs/dbraw/zinc/96/82/94/1427968294.db2.gz YDJYLEBQUXPVPH-HAWMADMCSA-N 0 1 381.473 3.361 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@@H](C)c1c(F)cccc1Cl)N1CCN(C)CC1 ZINC000175916675 1427970566 /nfs/dbraw/zinc/97/05/66/1427970566.db2.gz FCCJDLSAMBOADX-YOEHRIQHSA-N 0 1 384.927 3.111 20 0 GGADMN C[S@@](=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000175921065 1427972669 /nfs/dbraw/zinc/97/26/69/1427972669.db2.gz ALCVYQLOZTXPEC-PVPMGCCUSA-N 0 1 379.457 3.115 20 0 GGADMN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C1(N2CCOCC2)CCCC1 ZINC000175925462 1427976031 /nfs/dbraw/zinc/97/60/31/1427976031.db2.gz GRLPKBBFLNVGAJ-BMGDILEWSA-N 0 1 378.463 3.218 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCO)[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000175928003 1427978639 /nfs/dbraw/zinc/97/86/39/1427978639.db2.gz PCWHMEFYZSLWPK-SFTDATJTSA-N 0 1 385.483 3.120 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000175927987 1427978888 /nfs/dbraw/zinc/97/88/88/1427978888.db2.gz PCWHMEFYZSLWPK-NHCUHLMSSA-N 0 1 385.483 3.120 20 0 GGADMN COc1ccccc1CN(C)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175930452 1427980021 /nfs/dbraw/zinc/98/00/21/1427980021.db2.gz JESNZWAIPHZYDI-UHFFFAOYSA-N 0 1 389.540 3.119 20 0 GGADMN C[C@@H](c1cccc(O)c1)N(C)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175931639 1427980339 /nfs/dbraw/zinc/98/03/39/1427980339.db2.gz ZRYNFDQOPSLESE-SFHVURJKSA-N 0 1 389.540 3.377 20 0 GGADMN C[C@H](c1cccc(O)c1)N(C)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175931657 1427980354 /nfs/dbraw/zinc/98/03/54/1427980354.db2.gz ZRYNFDQOPSLESE-GOSISDBHSA-N 0 1 389.540 3.377 20 0 GGADMN COc1ccc(Cl)cc1CC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000175931841 1427980845 /nfs/dbraw/zinc/98/08/45/1427980845.db2.gz WTDXZJBBDAXKLP-HNNXBMFYSA-N 0 1 380.916 3.041 20 0 GGADMN Cc1csc(C(C)(C)NC(=O)NCC2(CN3CCOCC3)CCCCC2)n1 ZINC000175932049 1427981058 /nfs/dbraw/zinc/98/10/58/1427981058.db2.gz UIIDWZJJUJNRFF-UHFFFAOYSA-N 0 1 394.585 3.269 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCC[C@H]1c1ccncc1 ZINC000175934067 1427981609 /nfs/dbraw/zinc/98/16/09/1427981609.db2.gz VOSJFGYDFATYLE-FQEVSTJZSA-N 0 1 386.540 3.211 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000175934083 1427981631 /nfs/dbraw/zinc/98/16/31/1427981631.db2.gz VOSJFGYDFATYLE-HXUWFJFHSA-N 0 1 386.540 3.211 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)N(Cc1ccccn1)C1CC1 ZINC000175934720 1427982384 /nfs/dbraw/zinc/98/23/84/1427982384.db2.gz WSIDUCYIBBPBCR-UHFFFAOYSA-N 0 1 386.540 3.038 20 0 GGADMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H](C)c2nnc[nH]2)cc1 ZINC000175934332 1427982423 /nfs/dbraw/zinc/98/24/23/1427982423.db2.gz JGFKZWDKRURJHW-AWEZNQCLSA-N 0 1 395.488 3.335 20 0 GGADMN C[C@H](NC(=O)Cc1csc(-c2ccoc2)n1)C1(N2CCOCC2)CCCC1 ZINC000175936849 1427983574 /nfs/dbraw/zinc/98/35/74/1427983574.db2.gz SRWYRZGMGKXVOZ-HNNXBMFYSA-N 0 1 389.521 3.095 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825669069 1427983625 /nfs/dbraw/zinc/98/36/25/1427983625.db2.gz PIZLIAAGQWJBTQ-ZWKOTPCHSA-N 0 1 397.552 3.373 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825669069 1427983627 /nfs/dbraw/zinc/98/36/27/1427983627.db2.gz PIZLIAAGQWJBTQ-ZWKOTPCHSA-N 0 1 397.552 3.373 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825669069 1427983629 /nfs/dbraw/zinc/98/36/29/1427983629.db2.gz PIZLIAAGQWJBTQ-ZWKOTPCHSA-N 0 1 397.552 3.373 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000736322965 1427985690 /nfs/dbraw/zinc/98/56/90/1427985690.db2.gz SIEIWXLBEDKROQ-CYBMUJFWSA-N 0 1 387.532 3.459 20 0 GGADMN Fc1ccc(SCC[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826375736 1427986100 /nfs/dbraw/zinc/98/61/00/1427986100.db2.gz ACCJPBNYVPIEET-GOSISDBHSA-N 0 1 385.468 3.171 20 0 GGADMN Fc1ccc(SCC[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826375736 1427986101 /nfs/dbraw/zinc/98/61/01/1427986101.db2.gz ACCJPBNYVPIEET-GOSISDBHSA-N 0 1 385.468 3.171 20 0 GGADMN Cc1ccc(-c2cccc(C[NH2+][C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000822213957 1427987670 /nfs/dbraw/zinc/98/76/70/1427987670.db2.gz IXQTWIXDSAWOAY-OAQYLSRUSA-N 0 1 398.470 3.158 20 0 GGADMN CN(CCNC(=O)N1CCO[C@H](c2ccccc2F)C1)Cc1ccc(F)cc1 ZINC000175945641 1427987817 /nfs/dbraw/zinc/98/78/17/1427987817.db2.gz YKORBHFGOZVQMF-FQEVSTJZSA-N 0 1 389.446 3.180 20 0 GGADMN CN(CCNC(=O)N1CCC[C@H](c2nccs2)C1)Cc1ccc(F)cc1 ZINC000175947687 1427989654 /nfs/dbraw/zinc/98/96/54/1427989654.db2.gz WYRNUTBETQHEIY-INIZCTEOSA-N 0 1 376.501 3.303 20 0 GGADMN COc1c(C)cnc(CN(C)C(=O)NCCN(C)Cc2ccc(F)cc2)c1C ZINC000175951743 1427993246 /nfs/dbraw/zinc/99/32/46/1427993246.db2.gz GDAAIQXCRVDMFT-UHFFFAOYSA-N 0 1 388.487 3.120 20 0 GGADMN COC(=O)CCOc1ccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000175953186 1427994346 /nfs/dbraw/zinc/99/43/46/1427994346.db2.gz LXDDGOOVEBEAKD-UHFFFAOYSA-N 0 1 381.432 3.385 20 0 GGADMN C[N@@H+](CCNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)Cc1ccc(F)cc1 ZINC000175954406 1427995140 /nfs/dbraw/zinc/99/51/40/1427995140.db2.gz WUZQJIHQLCGGQL-FQEVSTJZSA-N 0 1 389.446 3.180 20 0 GGADMN CN(CCNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)Cc1ccc(F)cc1 ZINC000175954406 1427995146 /nfs/dbraw/zinc/99/51/46/1427995146.db2.gz WUZQJIHQLCGGQL-FQEVSTJZSA-N 0 1 389.446 3.180 20 0 GGADMN O=C(CN1CC[C@@H](OCCCc2ccccc2)C1)N1CCc2sccc2C1 ZINC000175960615 1427999611 /nfs/dbraw/zinc/99/96/11/1427999611.db2.gz FVOQLGLKPXEMCD-HXUWFJFHSA-N 0 1 384.545 3.357 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737033164 1427999957 /nfs/dbraw/zinc/99/99/57/1427999957.db2.gz REHYAWXDLAFGJQ-SJLPKXTDSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737033164 1427999960 /nfs/dbraw/zinc/99/99/60/1427999960.db2.gz REHYAWXDLAFGJQ-SJLPKXTDSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000737033164 1427999961 /nfs/dbraw/zinc/99/99/61/1427999961.db2.gz REHYAWXDLAFGJQ-SJLPKXTDSA-N 0 1 393.491 3.441 20 0 GGADMN CNS(=O)(=O)c1csc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1 ZINC000175962265 1428000511 /nfs/dbraw/zinc/00/05/11/1428000511.db2.gz PSBRWLYXFPLNCS-UHFFFAOYSA-N 0 1 392.506 3.082 20 0 GGADMN COCCn1nc(C)c(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C ZINC000175974417 1428006745 /nfs/dbraw/zinc/00/67/45/1428006745.db2.gz BCDXEUNSUCBCDM-UHFFFAOYSA-N 0 1 379.526 3.489 20 0 GGADMN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000175973946 1428006809 /nfs/dbraw/zinc/00/68/09/1428006809.db2.gz XPJWKHHKIFXRRE-OAHLLOKOSA-N 0 1 377.872 3.383 20 0 GGADMN COCCn1nc(C)c(NS(=O)(=O)c2ccc(OCCC(C)C)cc2)c1C ZINC000175975374 1428007340 /nfs/dbraw/zinc/00/73/40/1428007340.db2.gz YUGDDHYGDMZPDN-UHFFFAOYSA-N 0 1 395.525 3.372 20 0 GGADMN CCOC[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)C1 ZINC000175982670 1428012544 /nfs/dbraw/zinc/01/25/44/1428012544.db2.gz UNCLNKPGHJZQOQ-ICSRJNTNSA-N 0 1 389.540 3.290 20 0 GGADMN COC(C)(C)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000175990304 1428015753 /nfs/dbraw/zinc/01/57/53/1428015753.db2.gz CVZNTATYFZAFDI-UHFFFAOYSA-N 0 1 390.528 3.438 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000820717108 1428019423 /nfs/dbraw/zinc/01/94/23/1428019423.db2.gz NWGFKABPJYWEJX-UPJWGTAASA-N 0 1 388.541 3.254 20 0 GGADMN C[NH+](C)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)c1ccccc1 ZINC000736762999 1428020460 /nfs/dbraw/zinc/02/04/60/1428020460.db2.gz ZGGXGSCINOIMGU-SFHVURJKSA-N 0 1 393.882 3.205 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736055553 1428024691 /nfs/dbraw/zinc/02/46/91/1428024691.db2.gz GSWQJTXYYARLME-NSHDSACASA-N 0 1 390.900 3.083 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736055553 1428024700 /nfs/dbraw/zinc/02/47/00/1428024700.db2.gz GSWQJTXYYARLME-NSHDSACASA-N 0 1 390.900 3.083 20 0 GGADMN CCCOc1ccc(Cl)cc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000176011989 1428026549 /nfs/dbraw/zinc/02/65/49/1428026549.db2.gz JBCUOLGNQOWKON-UHFFFAOYSA-N 0 1 380.916 3.313 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1ccco1 ZINC000176013005 1428027084 /nfs/dbraw/zinc/02/70/84/1428027084.db2.gz XZBDIXXPBYXGIG-MYUZEXMDSA-N 0 1 391.537 3.242 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1ccco1 ZINC000176013053 1428027495 /nfs/dbraw/zinc/02/74/95/1428027495.db2.gz XZBDIXXPBYXGIG-DNOBIOAJSA-N 0 1 391.537 3.242 20 0 GGADMN CCc1nnc(-c2ccc(NC(=O)NCCN3CCc4ccccc4C3)cc2)o1 ZINC000176033689 1428037869 /nfs/dbraw/zinc/03/78/69/1428037869.db2.gz DLUMUJITWNJCKA-UHFFFAOYSA-N 0 1 391.475 3.479 20 0 GGADMN C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824892411 1428038237 /nfs/dbraw/zinc/03/82/37/1428038237.db2.gz HXBCPLVDKMIWPV-CRAIPNDOSA-N 0 1 379.464 3.103 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)N1CCc2ccccc2C1 ZINC000176035298 1428038543 /nfs/dbraw/zinc/03/85/43/1428038543.db2.gz FGUGRGFFXNJOSR-HNNXBMFYSA-N 0 1 398.482 3.096 20 0 GGADMN Clc1cccc(C2CC([NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)C2)c1 ZINC000822585963 1428039500 /nfs/dbraw/zinc/03/95/00/1428039500.db2.gz PHDDNVOSDMRCED-UHFFFAOYSA-N 0 1 379.855 3.204 20 0 GGADMN COc1ccc([C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C2CC2)cc1 ZINC000176039048 1428041144 /nfs/dbraw/zinc/04/11/44/1428041144.db2.gz OGDVDBZYVGDGQB-HXUWFJFHSA-N 0 1 396.491 3.129 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000176039164 1428041230 /nfs/dbraw/zinc/04/12/30/1428041230.db2.gz CHUGMRMJIVWKCN-UHFFFAOYSA-N 0 1 394.397 3.188 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC(C)(C)c1ccccc1F ZINC000176041909 1428044186 /nfs/dbraw/zinc/04/41/86/1428044186.db2.gz SXAAUCWZTVGZPR-UHFFFAOYSA-N 0 1 386.471 3.086 20 0 GGADMN NC(=O)c1c[nH]c(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1 ZINC000176044406 1428046290 /nfs/dbraw/zinc/04/62/90/1428046290.db2.gz ZTGXJBAQLFJKGC-UHFFFAOYSA-N 0 1 381.342 3.187 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000176045444 1428046930 /nfs/dbraw/zinc/04/69/30/1428046930.db2.gz QQMZPBNJNJCMKU-YLJYHZDGSA-N 0 1 394.519 3.380 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000176045503 1428047741 /nfs/dbraw/zinc/04/77/41/1428047741.db2.gz QQMZPBNJNJCMKU-PXNSSMCTSA-N 0 1 394.519 3.380 20 0 GGADMN CCN(Cc1c(F)cccc1F)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176047121 1428048183 /nfs/dbraw/zinc/04/81/83/1428048183.db2.gz GKUMLATXANZEQX-UHFFFAOYSA-N 0 1 390.434 3.179 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCc1ccc(Cl)cc1 ZINC000176047034 1428048629 /nfs/dbraw/zinc/04/86/29/1428048629.db2.gz SLFZQFYKLXRNCB-UHFFFAOYSA-N 0 1 388.899 3.255 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1F ZINC000176048456 1428048821 /nfs/dbraw/zinc/04/88/21/1428048821.db2.gz GSPOMQFMTLECAL-SFHVURJKSA-N 0 1 390.434 3.091 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176048864 1428049136 /nfs/dbraw/zinc/04/91/36/1428049136.db2.gz NWQYXQHOUXZCQY-RDTXWAMCSA-N 0 1 398.482 3.396 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSC(C)(C)C3)c2C1 ZINC000176049907 1428050039 /nfs/dbraw/zinc/05/00/39/1428050039.db2.gz ARNGGFIOJBJQTK-OAHLLOKOSA-N 0 1 389.565 3.339 20 0 GGADMN CCC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176055115 1428054192 /nfs/dbraw/zinc/05/41/92/1428054192.db2.gz JOUNPQMJWZMHPL-LJQANCHMSA-N 0 1 382.508 3.380 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)Sc1ccccc1 ZINC000176056555 1428055601 /nfs/dbraw/zinc/05/56/01/1428055601.db2.gz DJYSGIYOHWRNDR-CQSZACIVSA-N 0 1 386.521 3.149 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000176057306 1428056758 /nfs/dbraw/zinc/05/67/58/1428056758.db2.gz ABXHDELDYJDVOQ-UHFFFAOYSA-N 0 1 382.508 3.466 20 0 GGADMN COc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176058593 1428057263 /nfs/dbraw/zinc/05/72/63/1428057263.db2.gz GMMXLZPCOWNIFO-CQSZACIVSA-N 0 1 384.480 3.081 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1CCCC[C@@H]1CO ZINC000176058110 1428057624 /nfs/dbraw/zinc/05/76/24/1428057624.db2.gz KVEALORWSNOEJB-UYAOXDASSA-N 0 1 393.959 3.402 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1C ZINC000736565901 1428058136 /nfs/dbraw/zinc/05/81/36/1428058136.db2.gz UBESLPASRKJTKO-AAEUAGOBSA-N 0 1 393.948 3.022 20 0 GGADMN CC[N@@H+]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000736565901 1428058142 /nfs/dbraw/zinc/05/81/42/1428058142.db2.gz UBESLPASRKJTKO-AAEUAGOBSA-N 0 1 393.948 3.022 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000736565901 1428058146 /nfs/dbraw/zinc/05/81/46/1428058146.db2.gz UBESLPASRKJTKO-AAEUAGOBSA-N 0 1 393.948 3.022 20 0 GGADMN Cc1ccccc1C1(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC1 ZINC000176060340 1428058769 /nfs/dbraw/zinc/05/87/69/1428058769.db2.gz DZRAEJOFLKKXSR-UHFFFAOYSA-N 0 1 380.492 3.009 20 0 GGADMN Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176060390 1428059141 /nfs/dbraw/zinc/05/91/41/1428059141.db2.gz CSKCBTRVDNDCTC-UHFFFAOYSA-N 0 1 393.491 3.001 20 0 GGADMN CC(C)OCc1cccc(NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176063667 1428062067 /nfs/dbraw/zinc/06/20/67/1428062067.db2.gz UWKBLAVDNGUNQU-UHFFFAOYSA-N 0 1 384.480 3.416 20 0 GGADMN CC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(F)cc1F ZINC000176064092 1428062503 /nfs/dbraw/zinc/06/25/03/1428062503.db2.gz FXFCCEGEXJCJEM-KRWDZBQOSA-N 0 1 390.434 3.398 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[NH+](C)C)cc1 ZINC000825704870 1428069426 /nfs/dbraw/zinc/06/94/26/1428069426.db2.gz OSIRJULNHCEMHV-GOSISDBHSA-N 0 1 398.898 3.115 20 0 GGADMN CCOC[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000176078681 1428071307 /nfs/dbraw/zinc/07/13/07/1428071307.db2.gz KSGJHAVDIQSGBH-WMZOPIPTSA-N 0 1 399.457 3.348 20 0 GGADMN O=C(C[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)[nH]n1)c1cccs1 ZINC000176085933 1428074165 /nfs/dbraw/zinc/07/41/65/1428074165.db2.gz YXQJKNMNRCGACE-HNNXBMFYSA-N 0 1 381.457 3.252 20 0 GGADMN O=C(c1cc(Cl)ccc1OC(F)F)N1CCC(CN2CCOCC2)CC1 ZINC000176085567 1428074206 /nfs/dbraw/zinc/07/42/06/1428074206.db2.gz SQJXFEHJQVXPSV-UHFFFAOYSA-N 0 1 388.842 3.126 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)C1 ZINC000736225750 1428076101 /nfs/dbraw/zinc/07/61/01/1428076101.db2.gz CWYIHOMBIADDMK-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C1 ZINC000736225750 1428076106 /nfs/dbraw/zinc/07/61/06/1428076106.db2.gz CWYIHOMBIADDMK-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C1 ZINC000736225750 1428076111 /nfs/dbraw/zinc/07/61/11/1428076111.db2.gz CWYIHOMBIADDMK-IYBDPMFKSA-N 0 1 377.496 3.352 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3OC(F)F)nc2)CC1 ZINC000176090136 1428077098 /nfs/dbraw/zinc/07/70/98/1428077098.db2.gz FKEXNUZSLSOJOD-UHFFFAOYSA-N 0 1 396.825 3.341 20 0 GGADMN C[C@@]1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCN(C(=O)c2ccccc2)C1 ZINC000176111559 1428089359 /nfs/dbraw/zinc/08/93/59/1428089359.db2.gz OXUITKIXEJUPQT-JOCHJYFZSA-N 0 1 394.450 3.261 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000176121138 1428095722 /nfs/dbraw/zinc/09/57/22/1428095722.db2.gz QABNHXPPGJELCK-GXTWGEPZSA-N 0 1 390.459 3.402 20 0 GGADMN COc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc(OC)c1OC(F)F ZINC000176126817 1428099677 /nfs/dbraw/zinc/09/96/77/1428099677.db2.gz GTOCLXARINLZQO-UHFFFAOYSA-N 0 1 395.337 3.251 20 0 GGADMN CN(C(=O)C(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176127691 1428101229 /nfs/dbraw/zinc/10/12/29/1428101229.db2.gz FANPXUVQPJRBGO-LJQANCHMSA-N 0 1 387.430 3.026 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000176129308 1428101944 /nfs/dbraw/zinc/10/19/44/1428101944.db2.gz CVXCIZGAQAOEFO-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176129622 1428103347 /nfs/dbraw/zinc/10/33/47/1428103347.db2.gz PWQZEAAFIJVJFN-GOSISDBHSA-N 0 1 397.544 3.470 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)NC(=O)CCS2 ZINC000176137250 1428111286 /nfs/dbraw/zinc/11/12/86/1428111286.db2.gz DEFRNBRNXXQTKS-UHFFFAOYSA-N 0 1 384.436 3.109 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176143021 1428115274 /nfs/dbraw/zinc/11/52/74/1428115274.db2.gz MYWWEQHNLSYAFL-UHFFFAOYSA-N 0 1 394.450 3.257 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825000495 1428115866 /nfs/dbraw/zinc/11/58/66/1428115866.db2.gz RFNOASKOJFXYJX-RYUDHWBXSA-N 0 1 389.916 3.076 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)cc2[nH]c1=S ZINC000176143857 1428116402 /nfs/dbraw/zinc/11/64/02/1428116402.db2.gz ZESUMDXSGCIUSM-ZDUSSCGKSA-N 0 1 385.411 3.073 20 0 GGADMN CCc1cnc(CN(C)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)s1 ZINC000176151831 1428121063 /nfs/dbraw/zinc/12/10/63/1428121063.db2.gz RHUPVGOOXITDFJ-KRWDZBQOSA-N 0 1 376.526 3.158 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)[NH+]2CCCC2)cc1 ZINC000176151036 1428121360 /nfs/dbraw/zinc/12/13/60/1428121360.db2.gz BXJHZCZHUVGKRD-SFHVURJKSA-N 0 1 396.535 3.251 20 0 GGADMN CCc1cnc(CN(C)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)s1 ZINC000176151843 1428122123 /nfs/dbraw/zinc/12/21/23/1428122123.db2.gz RHUPVGOOXITDFJ-QGZVFWFLSA-N 0 1 376.526 3.158 20 0 GGADMN C[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1c(F)cccc1Cl ZINC000176152840 1428122621 /nfs/dbraw/zinc/12/26/21/1428122621.db2.gz XSMPOTDWFZEHAF-AWEZNQCLSA-N 0 1 383.895 3.294 20 0 GGADMN CC(C)(C)CNC(=O)c1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176153197 1428123187 /nfs/dbraw/zinc/12/31/87/1428123187.db2.gz ORAMFEZLYBAFRV-UHFFFAOYSA-N 0 1 396.466 3.450 20 0 GGADMN CC1CCN(c2ccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)cn2)CC1 ZINC000176154782 1428123695 /nfs/dbraw/zinc/12/36/95/1428123695.db2.gz YDJCZCGCRNDSKI-UHFFFAOYSA-N 0 1 381.455 3.306 20 0 GGADMN O=C(CCc1nnc(-c2ccccc2)o1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176153857 1428123891 /nfs/dbraw/zinc/12/38/91/1428123891.db2.gz HHTZCSCFDFZJKZ-UHFFFAOYSA-N 0 1 379.395 3.044 20 0 GGADMN Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176154005 1428124022 /nfs/dbraw/zinc/12/40/22/1428124022.db2.gz CFJHRDKTPRPLQG-UHFFFAOYSA-N 0 1 386.452 3.393 20 0 GGADMN COc1ccnc(N2CCN(C(=O)N[C@@H](C)c3c(F)cccc3Cl)CC2)c1 ZINC000176158472 1428126615 /nfs/dbraw/zinc/12/66/15/1428126615.db2.gz DIUBWWKTIBPURF-ZDUSSCGKSA-N 0 1 392.862 3.476 20 0 GGADMN COCCOc1ccc(Cl)cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000176160593 1428127720 /nfs/dbraw/zinc/12/77/20/1428127720.db2.gz MWRXEVDSCKZHRU-UHFFFAOYSA-N 0 1 376.884 3.227 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000176162131 1428129249 /nfs/dbraw/zinc/12/92/49/1428129249.db2.gz WSQPQTBKRSVUPN-HUUCEWRRSA-N 0 1 383.895 3.294 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000824507709 1428129826 /nfs/dbraw/zinc/12/98/26/1428129826.db2.gz XTRCGHOLDKSAKX-JJRVBVJISA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000824507709 1428129828 /nfs/dbraw/zinc/12/98/28/1428129828.db2.gz XTRCGHOLDKSAKX-JJRVBVJISA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000824507709 1428129831 /nfs/dbraw/zinc/12/98/31/1428129831.db2.gz XTRCGHOLDKSAKX-JJRVBVJISA-N 0 1 386.500 3.163 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)n[nH]1 ZINC000176168509 1428133821 /nfs/dbraw/zinc/13/38/21/1428133821.db2.gz WVUJOUMHAFCIEY-CVEARBPZSA-N 0 1 397.479 3.481 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)n1 ZINC000176168509 1428133831 /nfs/dbraw/zinc/13/38/31/1428133831.db2.gz WVUJOUMHAFCIEY-CVEARBPZSA-N 0 1 397.479 3.481 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)n[nH]1 ZINC000176168536 1428135159 /nfs/dbraw/zinc/13/51/59/1428135159.db2.gz WVUJOUMHAFCIEY-HOTGVXAUSA-N 0 1 397.479 3.481 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)n1 ZINC000176168536 1428135168 /nfs/dbraw/zinc/13/51/68/1428135168.db2.gz WVUJOUMHAFCIEY-HOTGVXAUSA-N 0 1 397.479 3.481 20 0 GGADMN CCCCCC(=O)NC1CCN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CC1 ZINC000821043684 1428135529 /nfs/dbraw/zinc/13/55/29/1428135529.db2.gz SPARHMYWXRTOSS-UHFFFAOYSA-N 0 1 393.495 3.080 20 0 GGADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C(F)(F)C(F)F ZINC000176174013 1428138570 /nfs/dbraw/zinc/13/85/70/1428138570.db2.gz CGWPNYUQZAYFSB-UHFFFAOYSA-N 0 1 396.388 3.243 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc(F)cc1 ZINC000826503370 1428149784 /nfs/dbraw/zinc/14/97/84/1428149784.db2.gz WAWBWXYPBRAJJY-HKUYNNGSSA-N 0 1 385.418 3.233 20 0 GGADMN C[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2)C1 ZINC000736849305 1428149873 /nfs/dbraw/zinc/14/98/73/1428149873.db2.gz RHSGGTRNRNLNAS-ZDUSSCGKSA-N 0 1 398.854 3.203 20 0 GGADMN C[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)C1 ZINC000736849305 1428149878 /nfs/dbraw/zinc/14/98/78/1428149878.db2.gz RHSGGTRNRNLNAS-ZDUSSCGKSA-N 0 1 398.854 3.203 20 0 GGADMN C[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2)C1 ZINC000736849305 1428149881 /nfs/dbraw/zinc/14/98/81/1428149881.db2.gz RHSGGTRNRNLNAS-ZDUSSCGKSA-N 0 1 398.854 3.203 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000736480970 1428155140 /nfs/dbraw/zinc/15/51/40/1428155140.db2.gz QAZXICZEYGGBDT-IAGOWNOFSA-N 0 1 399.543 3.051 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176198007 1428160772 /nfs/dbraw/zinc/16/07/72/1428160772.db2.gz XWCCPSOBUDITLY-WBVHZDCISA-N 0 1 399.457 3.000 20 0 GGADMN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)o1 ZINC000176202842 1428165084 /nfs/dbraw/zinc/16/50/84/1428165084.db2.gz DBEMDDFSXXBPFW-UHFFFAOYSA-N 0 1 379.460 3.351 20 0 GGADMN O=S(=O)(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Cl)nc1 ZINC000176207403 1428167588 /nfs/dbraw/zinc/16/75/88/1428167588.db2.gz VLBVKIRJLUENJS-UHFFFAOYSA-N 0 1 376.825 3.463 20 0 GGADMN COC[C@H](NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2)c1ccco1 ZINC000176208506 1428168380 /nfs/dbraw/zinc/16/83/80/1428168380.db2.gz GKOODOXWDOYMSW-BEFAXECRSA-N 0 1 399.491 3.082 20 0 GGADMN C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)C[C@@H](C)O1 ZINC000176209787 1428169121 /nfs/dbraw/zinc/16/91/21/1428169121.db2.gz NABNPUKTDYWFDA-HUUCEWRRSA-N 0 1 380.916 3.397 20 0 GGADMN Cc1nc(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000176210510 1428169591 /nfs/dbraw/zinc/16/95/91/1428169591.db2.gz VMVCVUFXALJBGN-NWDGAFQWSA-N 0 1 399.421 3.047 20 0 GGADMN C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C[C@H](C)O1 ZINC000176210551 1428169894 /nfs/dbraw/zinc/16/98/94/1428169894.db2.gz GSOWFKYKPFFIMJ-GJZGRUSLSA-N 0 1 380.916 3.397 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000176210492 1428170041 /nfs/dbraw/zinc/17/00/41/1428170041.db2.gz VMVCVUFXALJBGN-NEPJUHHUSA-N 0 1 399.421 3.047 20 0 GGADMN CCCc1c(C(=O)N[C@H](C)c2nnc[nH]2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC000176224813 1428177825 /nfs/dbraw/zinc/17/78/25/1428177825.db2.gz WUKHJRABCNYESX-CYBMUJFWSA-N 0 1 381.484 3.126 20 0 GGADMN NC(=O)c1ccc(OCCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1 ZINC000176228520 1428179659 /nfs/dbraw/zinc/17/96/59/1428179659.db2.gz LDOFFLNOJIXLCE-UHFFFAOYSA-N 0 1 378.432 3.337 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CCOC3(CCCCC3)C2)N2CCCC2)o1 ZINC000176232019 1428181641 /nfs/dbraw/zinc/18/16/41/1428181641.db2.gz RBPZTBLHNIGTCM-SFHVURJKSA-N 0 1 375.513 3.470 20 0 GGADMN CCCO[C@@H]1CCCN([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000176236729 1428184786 /nfs/dbraw/zinc/18/47/86/1428184786.db2.gz RHRJBYRURDYVCM-YLJYHZDGSA-N 0 1 376.497 3.090 20 0 GGADMN CC(=O)N[C@H](CC(=O)N1CCN(C)CC12CCCCC2)c1c(F)cccc1F ZINC000176239227 1428186316 /nfs/dbraw/zinc/18/63/16/1428186316.db2.gz PBTSRBRALVPBLX-GOSISDBHSA-N 0 1 393.478 3.009 20 0 GGADMN COc1ccc(Cn2cc(C(=O)N3CCN(C)CC34CCCCC4)cn2)cc1 ZINC000176240142 1428188065 /nfs/dbraw/zinc/18/80/65/1428188065.db2.gz YPHHXSMMTXXXOV-UHFFFAOYSA-N 0 1 382.508 3.031 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C[C@H](C)c3ccc(OC)cc3)n2)cc1 ZINC000176245544 1428192381 /nfs/dbraw/zinc/19/23/81/1428192381.db2.gz HQMRWFZQEZQLPW-AWEZNQCLSA-N 0 1 380.448 3.299 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C[C@H](C)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000176245544 1428192387 /nfs/dbraw/zinc/19/23/87/1428192387.db2.gz HQMRWFZQEZQLPW-AWEZNQCLSA-N 0 1 380.448 3.299 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](c3ncccc3C)C(C)C)C2=O)c1 ZINC000176246477 1428193483 /nfs/dbraw/zinc/19/34/83/1428193483.db2.gz OMNXPHDZYOCOCV-VQTJNVASSA-N 0 1 383.492 3.499 20 0 GGADMN CNC(=O)c1ccc(NC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1 ZINC000176255457 1428200504 /nfs/dbraw/zinc/20/05/04/1428200504.db2.gz ARTMCNRDCYAFDD-UHFFFAOYSA-N 0 1 386.540 3.411 20 0 GGADMN CC[C@H](C)CN(CC)C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000176259559 1428202232 /nfs/dbraw/zinc/20/22/32/1428202232.db2.gz OZITXGWIHBIKRK-INIZCTEOSA-N 0 1 377.554 3.069 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000176261753 1428204121 /nfs/dbraw/zinc/20/41/21/1428204121.db2.gz ZZHVTYAPQHOJJN-UHFFFAOYSA-N 0 1 389.868 3.021 20 0 GGADMN O=C(CN1C[C@H]2CCC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000176261822 1428204351 /nfs/dbraw/zinc/20/43/51/1428204351.db2.gz HLHKNGQUUIAPRL-HUUCEWRRSA-N 0 1 397.441 3.212 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 ZINC000176267099 1428207484 /nfs/dbraw/zinc/20/74/84/1428207484.db2.gz FPRWPIPMESPMDA-UHFFFAOYSA-N 0 1 390.852 3.354 20 0 GGADMN O=S(=O)(Nc1ccc2ncccc2c1)c1ccc(OCC(F)(F)F)nc1 ZINC000180183149 1429788072 /nfs/dbraw/zinc/78/80/72/1429788072.db2.gz IFRXVUHGRJGEBU-UHFFFAOYSA-N 0 1 383.351 3.372 20 0 GGADMN COC(=O)C1CCC(C(=O)Nc2cc(CN3CCSCC3)ccc2C)CC1 ZINC000180183425 1429788228 /nfs/dbraw/zinc/78/82/28/1429788228.db2.gz VEPSEPWRQNWYKX-UHFFFAOYSA-N 0 1 390.549 3.462 20 0 GGADMN COc1ccccc1[C@H](NC1CCN(CCC(F)(F)F)CC1)c1noc(C)n1 ZINC000180187931 1429790860 /nfs/dbraw/zinc/79/08/60/1429790860.db2.gz BYDWOKSFIIORTC-KRWDZBQOSA-N 0 1 398.429 3.482 20 0 GGADMN OC1(C[N@@H+](Cc2ccccc2)Cc2cc(F)ccc2-c2nnn[n-]2)CCCC1 ZINC000823697899 1429796430 /nfs/dbraw/zinc/79/64/30/1429796430.db2.gz ORFDRAGVXNLLSP-UHFFFAOYSA-N 0 1 381.455 3.313 20 0 GGADMN COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)CCN2C2CC2)c1 ZINC000826215116 1429799412 /nfs/dbraw/zinc/79/94/12/1429799412.db2.gz HKBURSZYECVZJP-RTBURBONSA-N 0 1 396.520 3.004 20 0 GGADMN Cc1ccc(S(=O)(=O)CCCN(Cc2ccccc2)CC(C)(C)O)cc1 ZINC000180205346 1429801566 /nfs/dbraw/zinc/80/15/66/1429801566.db2.gz RVPUDKVFCUIPMQ-UHFFFAOYSA-N 0 1 375.534 3.432 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000822741013 1429803408 /nfs/dbraw/zinc/80/34/08/1429803408.db2.gz PXZKTVZNAVDKPB-LJQANCHMSA-N 0 1 379.439 3.498 20 0 GGADMN CCOc1cc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000180220938 1429806258 /nfs/dbraw/zinc/80/62/58/1429806258.db2.gz FXFOQFGSKKFHOX-AWEZNQCLSA-N 0 1 376.403 3.267 20 0 GGADMN CC(C)(O)CN(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000180226892 1429807919 /nfs/dbraw/zinc/80/79/19/1429807919.db2.gz ZENIQXBLPSHTNV-UHFFFAOYSA-N 0 1 392.446 3.177 20 0 GGADMN CCc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180249721 1429814784 /nfs/dbraw/zinc/81/47/84/1429814784.db2.gz CEWQJHFOVKJPSN-OAHLLOKOSA-N 0 1 380.414 3.006 20 0 GGADMN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@H]1CN1CCCCC1 ZINC000180260259 1429817767 /nfs/dbraw/zinc/81/77/67/1429817767.db2.gz TYSGYOVXXNIBPF-JTQLQIEISA-N 0 1 398.397 3.021 20 0 GGADMN O=C(CC[N@H+]1C[C@@H]2CCC[C@H]21)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822965035 1429819406 /nfs/dbraw/zinc/81/94/06/1429819406.db2.gz XOGNIYGLPLMJPP-GXTWGEPZSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822965035 1429819409 /nfs/dbraw/zinc/81/94/09/1429819409.db2.gz XOGNIYGLPLMJPP-GXTWGEPZSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@H+]1C[C@@H]2CCC[C@H]21)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822965035 1429819412 /nfs/dbraw/zinc/81/94/12/1429819412.db2.gz XOGNIYGLPLMJPP-GXTWGEPZSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CCCCNC(=O)c1c[nH]c2ccccc2c1=O)OCc1ccccc1 ZINC000180269052 1429819708 /nfs/dbraw/zinc/81/97/08/1429819708.db2.gz IXHAIHAJVUSVNU-UHFFFAOYSA-N 0 1 378.428 3.172 20 0 GGADMN CCC[C@@H]1CN(Cc2noc(C3CCOCC3)n2)CCN1Cc1ccccc1 ZINC000180270385 1429819899 /nfs/dbraw/zinc/81/98/99/1429819899.db2.gz PQELNAQYWARVHW-HXUWFJFHSA-N 0 1 384.524 3.450 20 0 GGADMN CCC[C@H]1CN(Cc2noc(C3CCOCC3)n2)CCN1Cc1ccccc1 ZINC000180270405 1429820114 /nfs/dbraw/zinc/82/01/14/1429820114.db2.gz PQELNAQYWARVHW-FQEVSTJZSA-N 0 1 384.524 3.450 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180284849 1429824498 /nfs/dbraw/zinc/82/44/98/1429824498.db2.gz ZEVFPKBZUONUSX-UHFFFAOYSA-N 0 1 398.507 3.010 20 0 GGADMN CC[C@H](OC1CCCCC1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180284763 1429824639 /nfs/dbraw/zinc/82/46/39/1429824639.db2.gz JVMOORWYDGIXMA-NRFANRHFSA-N 0 1 380.573 3.465 20 0 GGADMN Cc1c(C(=O)N2CCC(CCCN3CCOCC3)CC2)cnn1C1CCCC1 ZINC000180284527 1429824712 /nfs/dbraw/zinc/82/47/12/1429824712.db2.gz YLQJNXPMLBWOFN-UHFFFAOYSA-N 0 1 388.556 3.271 20 0 GGADMN O=C(c1csc(-c2ccoc2)n1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180286031 1429824893 /nfs/dbraw/zinc/82/48/93/1429824893.db2.gz ATTKIVGKLGSUBS-UHFFFAOYSA-N 0 1 389.521 3.368 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180288383 1429825687 /nfs/dbraw/zinc/82/56/87/1429825687.db2.gz JVZGVALCTBYONH-IBGZPJMESA-N 0 1 388.552 3.225 20 0 GGADMN COc1ccccc1COC1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000180296123 1429827996 /nfs/dbraw/zinc/82/79/96/1429827996.db2.gz FCQHXYNHCXKTMN-UHFFFAOYSA-N 0 1 392.455 3.358 20 0 GGADMN COc1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1Cl ZINC000180296892 1429828549 /nfs/dbraw/zinc/82/85/49/1429828549.db2.gz HZNRHIATMCSTMW-UHFFFAOYSA-N 0 1 380.916 3.313 20 0 GGADMN Cc1cccc2[nH]cc(CC(=O)N3CCC(CCCN4CCOCC4)CC3)c21 ZINC000180297926 1429828912 /nfs/dbraw/zinc/82/89/12/1429828912.db2.gz GQUVKLDZVWKSLX-UHFFFAOYSA-N 0 1 383.536 3.370 20 0 GGADMN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180302284 1429830192 /nfs/dbraw/zinc/83/01/92/1429830192.db2.gz KAUJGHDEZTXWJA-GOSISDBHSA-N 0 1 376.516 3.355 20 0 GGADMN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180302262 1429830423 /nfs/dbraw/zinc/83/04/23/1429830423.db2.gz KAUJGHDEZTXWJA-SFHVURJKSA-N 0 1 376.516 3.355 20 0 GGADMN O=C(c1cccnc1SC(F)F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180303743 1429830536 /nfs/dbraw/zinc/83/05/36/1429830536.db2.gz PXURLXNTMDTPQY-UHFFFAOYSA-N 0 1 399.507 3.361 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000180304677 1429830954 /nfs/dbraw/zinc/83/09/54/1429830954.db2.gz UEZWDRXIDDYZLD-GOSISDBHSA-N 0 1 383.521 3.344 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000180305084 1429831142 /nfs/dbraw/zinc/83/11/42/1429831142.db2.gz KIJXEFQZFTZLTH-FQEVSTJZSA-N 0 1 393.491 3.410 20 0 GGADMN O=C(c1cnc2ccc(F)cc2c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180304495 1429831153 /nfs/dbraw/zinc/83/11/53/1429831153.db2.gz FQKJIZIWXAXSII-UHFFFAOYSA-N 0 1 385.483 3.339 20 0 GGADMN C[C@H](CCOc1ccccc1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180305250 1429831307 /nfs/dbraw/zinc/83/13/07/1429831307.db2.gz VFJHJJVXLYAJLD-HXUWFJFHSA-N 0 1 388.552 3.443 20 0 GGADMN O=C(CCC(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000180307101 1429831866 /nfs/dbraw/zinc/83/18/66/1429831866.db2.gz SJGKZQCUQMAKLG-UHFFFAOYSA-N 0 1 390.499 3.140 20 0 GGADMN COc1nc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc2ccccc21 ZINC000180308606 1429832088 /nfs/dbraw/zinc/83/20/88/1429832088.db2.gz ILHVBIBIGCETCA-UHFFFAOYSA-N 0 1 397.519 3.208 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)NC[C@@H](C)N3CCc4ccccc4C3)c21 ZINC000180308411 1429832145 /nfs/dbraw/zinc/83/21/45/1429832145.db2.gz FIGYQSXUOJWDKI-MRXNPFEDSA-N 0 1 377.488 3.282 20 0 GGADMN O=C(CN[C@H](COc1ccccc1F)c1ccccc1)NCc1cccnc1 ZINC000180309624 1429832420 /nfs/dbraw/zinc/83/24/20/1429832420.db2.gz KDVWPNWFISXRBC-HXUWFJFHSA-N 0 1 379.435 3.247 20 0 GGADMN O=C(CN[C@@H](COc1ccccc1F)c1ccccc1)NCc1cccnc1 ZINC000180309644 1429832526 /nfs/dbraw/zinc/83/25/26/1429832526.db2.gz KDVWPNWFISXRBC-FQEVSTJZSA-N 0 1 379.435 3.247 20 0 GGADMN O=C(c1ccc(OCC2CC2)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180309304 1429832533 /nfs/dbraw/zinc/83/25/33/1429832533.db2.gz ABKAOOAXHPIMAS-UHFFFAOYSA-N 0 1 386.536 3.440 20 0 GGADMN CS[C@@H](C(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccccc1 ZINC000180312138 1429833390 /nfs/dbraw/zinc/83/33/90/1429833390.db2.gz HKIONCXVKZHHHR-HXUWFJFHSA-N 0 1 376.566 3.442 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2ccc(C)c(O)c2)CC1 ZINC000180327368 1429836892 /nfs/dbraw/zinc/83/68/92/1429836892.db2.gz LOVAUDJEBHHJNG-KRWDZBQOSA-N 0 1 399.510 3.402 20 0 GGADMN Cc1ccc(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1O ZINC000180328071 1429837111 /nfs/dbraw/zinc/83/71/11/1429837111.db2.gz AMIGFJVSMMHFHJ-MRXNPFEDSA-N 0 1 385.483 3.011 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180359263 1429845541 /nfs/dbraw/zinc/84/55/41/1429845541.db2.gz JDCBFJJUXCOSMK-FQEVSTJZSA-N 0 1 398.482 3.398 20 0 GGADMN C[C@]1(O)CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180376981 1429850353 /nfs/dbraw/zinc/85/03/53/1429850353.db2.gz FSYGTELTWWVDNN-ZDUSSCGKSA-N 0 1 379.092 3.264 20 0 GGADMN Cc1cc(C)cc(C2=CCN(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)CC2)c1 ZINC000180388516 1429853763 /nfs/dbraw/zinc/85/37/63/1429853763.db2.gz DWZOWNNKHWTMIX-QHCPKHFHSA-N 0 1 398.595 3.374 20 0 GGADMN O=S(=O)(Cc1noc2ccccc21)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000180389419 1429854005 /nfs/dbraw/zinc/85/40/05/1429854005.db2.gz BIRABTOJOJBKTL-IBGZPJMESA-N 0 1 385.489 3.084 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@@H](C)c2cnn(C)c2C)CCN1Cc1ccccc1 ZINC000180390834 1429854212 /nfs/dbraw/zinc/85/42/12/1429854212.db2.gz LEPFHOPTHLEDEG-FXAWDEMLSA-N 0 1 383.540 3.486 20 0 GGADMN CCC(CC)n1nc(C)cc1C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000180391256 1429854545 /nfs/dbraw/zinc/85/45/45/1429854545.db2.gz OZYSXDIERXRNLF-UHFFFAOYSA-N 0 1 382.468 3.276 20 0 GGADMN CCC(CC)n1nc(C)cc1C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000180391256 1429854546 /nfs/dbraw/zinc/85/45/46/1429854546.db2.gz OZYSXDIERXRNLF-UHFFFAOYSA-N 0 1 382.468 3.276 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000738178230 1429855421 /nfs/dbraw/zinc/85/54/21/1429855421.db2.gz HVOLZLYDKSLGSL-IBGZPJMESA-N 0 1 391.479 3.215 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc(=O)[nH]1 ZINC000180411516 1429861499 /nfs/dbraw/zinc/86/14/99/1429861499.db2.gz SAQZYGOXSIAUMW-INIZCTEOSA-N 0 1 379.382 3.119 20 0 GGADMN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000180412370 1429861794 /nfs/dbraw/zinc/86/17/94/1429861794.db2.gz LYFMSHJBBPZHOO-MRXNPFEDSA-N 0 1 398.532 3.188 20 0 GGADMN O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180414262 1429862158 /nfs/dbraw/zinc/86/21/58/1429862158.db2.gz XSRRYGXYVFWWSC-UHFFFAOYSA-N 0 1 379.382 3.200 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCc2cccc(O)c2)nc1 ZINC000180419219 1429863787 /nfs/dbraw/zinc/86/37/87/1429863787.db2.gz ZKTPEBPRLSGICI-UHFFFAOYSA-N 0 1 391.399 3.478 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NCCN2CCc3ccccc3C2)cc1OC ZINC000180422616 1429864917 /nfs/dbraw/zinc/86/49/17/1429864917.db2.gz MIGYDUISHULKAF-QGZVFWFLSA-N 0 1 382.504 3.057 20 0 GGADMN CCc1cc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)nc(C)n1 ZINC000180422536 1429865067 /nfs/dbraw/zinc/86/50/67/1429865067.db2.gz QTDCDVQRRAZNCR-UHFFFAOYSA-N 0 1 398.536 3.214 20 0 GGADMN CCOCCCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000180439094 1429869794 /nfs/dbraw/zinc/86/97/94/1429869794.db2.gz LOTMHMYBYZHTEB-UHFFFAOYSA-N 0 1 382.258 3.018 20 0 GGADMN CCOCCCC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000180439094 1429869797 /nfs/dbraw/zinc/86/97/97/1429869797.db2.gz LOTMHMYBYZHTEB-UHFFFAOYSA-N 0 1 382.258 3.018 20 0 GGADMN CC(=O)Nc1cccc(OCCN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000180448860 1429871878 /nfs/dbraw/zinc/87/18/78/1429871878.db2.gz QGOYQWKHLLJUGG-CQSZACIVSA-N 0 1 397.454 3.403 20 0 GGADMN COc1cc(CN2CCS[C@@H]3COCC[C@@H]32)ccc1OCc1ccncc1 ZINC000180453249 1429873048 /nfs/dbraw/zinc/87/30/48/1429873048.db2.gz CPFGIIFKOMAFLB-GHTZIAJQSA-N 0 1 386.517 3.376 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000180472518 1429877429 /nfs/dbraw/zinc/87/74/29/1429877429.db2.gz CDMKRKFOVBRUFY-GASCZTMLSA-N 0 1 399.457 3.042 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180472518 1429877430 /nfs/dbraw/zinc/87/74/30/1429877430.db2.gz CDMKRKFOVBRUFY-GASCZTMLSA-N 0 1 399.457 3.042 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180472518 1429877433 /nfs/dbraw/zinc/87/74/33/1429877433.db2.gz CDMKRKFOVBRUFY-GASCZTMLSA-N 0 1 399.457 3.042 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180472550 1429877495 /nfs/dbraw/zinc/87/74/95/1429877495.db2.gz CDMKRKFOVBRUFY-HUUCEWRRSA-N 0 1 399.457 3.042 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1OC ZINC000180492671 1429881726 /nfs/dbraw/zinc/88/17/26/1429881726.db2.gz WHHLXGNZYLQZEZ-KXBFYZLASA-N 0 1 388.483 3.441 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1OC ZINC000180492820 1429882056 /nfs/dbraw/zinc/88/20/56/1429882056.db2.gz WHHLXGNZYLQZEZ-HNAYVOBHSA-N 0 1 388.483 3.441 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000180502752 1429884098 /nfs/dbraw/zinc/88/40/98/1429884098.db2.gz GXYQQCBXAIAYSV-LJQANCHMSA-N 0 1 388.487 3.230 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCCCc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000180519285 1429888360 /nfs/dbraw/zinc/88/83/60/1429888360.db2.gz QSVBKDRNURPAOW-OAQYLSRUSA-N 0 1 383.540 3.049 20 0 GGADMN CCO[C@H](C)c1noc(CN2CCN(C[C@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000180524843 1429889691 /nfs/dbraw/zinc/88/96/91/1429889691.db2.gz JDJQCGWUXURHCQ-DLBZAZTESA-N 0 1 388.512 3.097 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000180526321 1429890405 /nfs/dbraw/zinc/89/04/05/1429890405.db2.gz ZEDFBQQGTMXBRP-SJORKVTESA-N 0 1 377.488 3.442 20 0 GGADMN Cc1nc2ccccc2nc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180529265 1429891178 /nfs/dbraw/zinc/89/11/78/1429891178.db2.gz QCTKGYCBHPAHPH-AWEZNQCLSA-N 0 1 384.505 3.039 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC000180536264 1429892513 /nfs/dbraw/zinc/89/25/13/1429892513.db2.gz HBHDQUXLXYDFJS-OALUTQOASA-N 0 1 395.425 3.394 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC000180536323 1429892844 /nfs/dbraw/zinc/89/28/44/1429892844.db2.gz HBHDQUXLXYDFJS-RTBURBONSA-N 0 1 395.425 3.394 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCCC[C@H]1CCO ZINC000180548906 1429895340 /nfs/dbraw/zinc/89/53/40/1429895340.db2.gz AQANMQTUWHIDCA-IBGZPJMESA-N 0 1 393.959 3.499 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964662 1429895912 /nfs/dbraw/zinc/89/59/12/1429895912.db2.gz NILOUWMYVQYDCZ-GOSISDBHSA-N 0 1 380.427 3.172 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccnc(SC(C)(C)C)c3)nc2)CC1 ZINC000180552792 1429896141 /nfs/dbraw/zinc/89/61/41/1429896141.db2.gz LPOMNFUWPPVKAB-UHFFFAOYSA-N 0 1 385.537 3.371 20 0 GGADMN Cn1cc(CN2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000180554727 1429896698 /nfs/dbraw/zinc/89/66/98/1429896698.db2.gz QVMDYCZGSRFKOP-HXUWFJFHSA-N 0 1 395.890 3.037 20 0 GGADMN CCC[C@H]1CN(C(=O)NCCc2nc(C(C)C)no2)CCN1Cc1ccccc1 ZINC000180560641 1429897878 /nfs/dbraw/zinc/89/78/78/1429897878.db2.gz WEIFDVBJQUSXOG-IBGZPJMESA-N 0 1 399.539 3.432 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180560696 1429897936 /nfs/dbraw/zinc/89/79/36/1429897936.db2.gz NMHLOLAFFAKZEP-CQSZACIVSA-N 0 1 387.377 3.273 20 0 GGADMN CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821457644 1429900391 /nfs/dbraw/zinc/90/03/91/1429900391.db2.gz YYIVSKLTGUGNOC-ZDUSSCGKSA-N 0 1 394.570 3.091 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000180577416 1429906974 /nfs/dbraw/zinc/90/69/74/1429906974.db2.gz AUPJTULZFOCPAX-MOPGFXCFSA-N 0 1 394.581 3.176 20 0 GGADMN C[C@H]1SCC[N@@H+](CCOc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000736303926 1429908541 /nfs/dbraw/zinc/90/85/41/1429908541.db2.gz UONKHLRWNOVKOG-DNVCBOLYSA-N 0 1 381.505 3.424 20 0 GGADMN O=C(NCCCCCCO)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180589621 1429916346 /nfs/dbraw/zinc/91/63/46/1429916346.db2.gz FLBXRHKEISWUJT-QGZVFWFLSA-N 0 1 387.446 3.132 20 0 GGADMN CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)CCO1 ZINC000180592647 1429918023 /nfs/dbraw/zinc/91/80/23/1429918023.db2.gz FSVMSSYTEYGXMB-TZIWHRDSSA-N 0 1 388.556 3.329 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1OC ZINC000180596192 1429921571 /nfs/dbraw/zinc/92/15/71/1429921571.db2.gz LBUMPFXZRCQDRY-HNAYVOBHSA-N 0 1 388.483 3.441 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NC[C@@H]3CCC(C)(C)c4ccccc43)CCO2)n[nH]1 ZINC000180600012 1429924675 /nfs/dbraw/zinc/92/46/75/1429924675.db2.gz OPUSFMUSIOEBER-MAUKXSAKSA-N 0 1 383.496 3.051 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000180602219 1429925640 /nfs/dbraw/zinc/92/56/40/1429925640.db2.gz UIOLDEVKJAJBJO-HXUWFJFHSA-N 0 1 398.482 3.398 20 0 GGADMN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000180602424 1429926415 /nfs/dbraw/zinc/92/64/15/1429926415.db2.gz GLOYLZSJGQXSGX-SFTDATJTSA-N 0 1 388.556 3.329 20 0 GGADMN CC1(C)C[C@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C(C)(C)O1 ZINC000180604039 1429927193 /nfs/dbraw/zinc/92/71/93/1429927193.db2.gz LGTRJKIAKLOGCA-SFHVURJKSA-N 0 1 377.504 3.435 20 0 GGADMN CN(Cc1ncc(Cl)n1C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000180603801 1429927313 /nfs/dbraw/zinc/92/73/13/1429927313.db2.gz GKFNZPWDPVTYJJ-UHFFFAOYSA-N 0 1 393.894 3.019 20 0 GGADMN CC[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000180613747 1429934137 /nfs/dbraw/zinc/93/41/37/1429934137.db2.gz KLNOATFLOVJORW-ZWKOTPCHSA-N 0 1 382.460 3.139 20 0 GGADMN CC[C@@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000180613568 1429934209 /nfs/dbraw/zinc/93/42/09/1429934209.db2.gz ALQORFJFJVLDIG-LJQANCHMSA-N 0 1 380.488 3.347 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000180624135 1429938898 /nfs/dbraw/zinc/93/88/98/1429938898.db2.gz JYSVMQOCHHTLPD-AOIWGVFYSA-N 0 1 381.524 3.405 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cccc(Cl)c3[O-])C2=O)c1 ZINC000180627048 1429940556 /nfs/dbraw/zinc/94/05/56/1429940556.db2.gz BOGTZGMHMRWWEC-SFHVURJKSA-N 0 1 390.867 3.300 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccn(-c3ccc(F)cc3C)n2)N(C)C)c1 ZINC000180628356 1429941366 /nfs/dbraw/zinc/94/13/66/1429941366.db2.gz YCVKNFNAWOFXIC-NRFANRHFSA-N 0 1 396.466 3.361 20 0 GGADMN CC[C@@H](NCC(=O)NCCCOC1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180627461 1429941518 /nfs/dbraw/zinc/94/15/18/1429941518.db2.gz DHEMWZVUPGADPP-LJQANCHMSA-N 0 1 390.524 3.354 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180630912 1429943157 /nfs/dbraw/zinc/94/31/57/1429943157.db2.gz XZXMRHQAFQKQIB-CYBMUJFWSA-N 0 1 378.398 3.451 20 0 GGADMN COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826154460 1429944212 /nfs/dbraw/zinc/94/42/12/1429944212.db2.gz PSVSDXDNAMFGMZ-IBGZPJMESA-N 0 1 381.455 3.232 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180633226 1429944779 /nfs/dbraw/zinc/94/47/79/1429944779.db2.gz FJJCMSQMDMZQFS-HXUWFJFHSA-N 0 1 398.503 3.351 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000180636731 1429946523 /nfs/dbraw/zinc/94/65/23/1429946523.db2.gz JHLHOAQEWWVAJR-PXNSSMCTSA-N 0 1 381.524 3.012 20 0 GGADMN COc1ccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1N1CCCCC1=O ZINC000180636769 1429947357 /nfs/dbraw/zinc/94/73/57/1429947357.db2.gz BYUQFZCQJLNYNS-GOSISDBHSA-N 0 1 388.512 3.016 20 0 GGADMN COc1ccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)cc1N1CCCCC1=O ZINC000180636750 1429947887 /nfs/dbraw/zinc/94/78/87/1429947887.db2.gz BYUQFZCQJLNYNS-SFHVURJKSA-N 0 1 388.512 3.016 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000180642280 1429949937 /nfs/dbraw/zinc/94/99/37/1429949937.db2.gz ZXMDNUIHTOSDSN-DBXWQHBBSA-N 0 1 388.556 3.100 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000822741008 1429951107 /nfs/dbraw/zinc/95/11/07/1429951107.db2.gz PXMCYMZQNKXPTJ-CQSZACIVSA-N 0 1 386.500 3.069 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000822741008 1429951108 /nfs/dbraw/zinc/95/11/08/1429951108.db2.gz PXMCYMZQNKXPTJ-CQSZACIVSA-N 0 1 386.500 3.069 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000822741008 1429951112 /nfs/dbraw/zinc/95/11/12/1429951112.db2.gz PXMCYMZQNKXPTJ-CQSZACIVSA-N 0 1 386.500 3.069 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000180645479 1429952579 /nfs/dbraw/zinc/95/25/79/1429952579.db2.gz YGEAYYXVDXJJMW-QGZVFWFLSA-N 0 1 378.904 3.036 20 0 GGADMN COC(=O)C1(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CCOCC1 ZINC000180648470 1429953617 /nfs/dbraw/zinc/95/36/17/1429953617.db2.gz HNJQQQKVIBPXHO-HXUWFJFHSA-N 0 1 396.487 3.234 20 0 GGADMN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180648539 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ZZOSLWOJFOSXKM-NVXWUHKLSA-N 0 1 387.850 3.302 20 0 GGADMN COC(=O)[C@@H](O)C1CCN(Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000180672591 1429967939 /nfs/dbraw/zinc/96/79/39/1429967939.db2.gz BNCJPXTVIOGRTB-FQEVSTJZSA-N 0 1 399.535 3.224 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)NCc2ccccc2Cn2cccn2)c1 ZINC000180680043 1429972758 /nfs/dbraw/zinc/97/27/58/1429972758.db2.gz KJYUVJRVFNKOGC-GOSISDBHSA-N 0 1 392.503 3.297 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503362 1429977218 /nfs/dbraw/zinc/97/72/18/1429977218.db2.gz VYMHKARZSIYYRP-FOIQADDNSA-N 0 1 381.455 3.309 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503362 1429977221 /nfs/dbraw/zinc/97/72/21/1429977221.db2.gz VYMHKARZSIYYRP-FOIQADDNSA-N 0 1 381.455 3.309 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503362 1429977228 /nfs/dbraw/zinc/97/72/28/1429977228.db2.gz VYMHKARZSIYYRP-FOIQADDNSA-N 0 1 381.455 3.309 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826193700 1429978038 /nfs/dbraw/zinc/97/80/38/1429978038.db2.gz MCNDVOQLDUHEHX-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN COc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826193700 1429978044 /nfs/dbraw/zinc/97/80/44/1429978044.db2.gz MCNDVOQLDUHEHX-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN CCCc1csc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000180698207 1429984215 /nfs/dbraw/zinc/98/42/15/1429984215.db2.gz UHDQAAMXGMSRLZ-AEFFLSMTSA-N 0 1 388.537 3.100 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NCC(=O)Nc2ccccc2CC)c1 ZINC000180700112 1429985674 /nfs/dbraw/zinc/98/56/74/1429985674.db2.gz KGWWTTTYORUBAR-INIZCTEOSA-N 0 1 383.492 3.053 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000180708881 1429991033 /nfs/dbraw/zinc/99/10/33/1429991033.db2.gz FZZIGSFBZRDSDO-QGZVFWFLSA-N 0 1 383.492 3.211 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000826247775 1429992636 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3.117 20 0 GGADMN Cc1nc(C)c([C@@H](C)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000180734064 1430007104 /nfs/dbraw/zinc/00/71/04/1430007104.db2.gz BGAWINCAEPWMSL-CYBMUJFWSA-N 0 1 392.956 3.413 20 0 GGADMN COC(=O)c1oc([C@@H](C)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1C ZINC000180741503 1430011112 /nfs/dbraw/zinc/01/11/12/1430011112.db2.gz YVRXXXYMVQBQHF-CYBMUJFWSA-N 0 1 375.425 3.083 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2ccccc2)o1 ZINC000180742582 1430011831 /nfs/dbraw/zinc/01/18/31/1430011831.db2.gz BXIBJILNFZJHQG-SJLPKXTDSA-N 0 1 392.521 3.086 20 0 GGADMN O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000180743295 1430012611 /nfs/dbraw/zinc/01/26/11/1430012611.db2.gz SUFJDZZYNMNMHA-UHFFFAOYSA-N 0 1 387.499 3.201 20 0 GGADMN O=C(c1cnc(-c2ccco2)s1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180745707 1430014213 /nfs/dbraw/zinc/01/42/13/1430014213.db2.gz FWMWVSKLWMOYMK-UHFFFAOYSA-N 0 1 389.521 3.368 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000736291320 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0 1 382.304 3.325 20 0 GGADMN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(Br)c1 ZINC000180766669 1430027869 /nfs/dbraw/zinc/02/78/69/1430027869.db2.gz GWLXCFFDRADANV-QPUJVOFHSA-N 0 1 383.183 3.402 20 0 GGADMN Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000180767301 1430028304 /nfs/dbraw/zinc/02/83/04/1430028304.db2.gz AFVDNRSAOSEVGP-MFKMUULPSA-N 0 1 384.427 3.327 20 0 GGADMN C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000180771599 1430030215 /nfs/dbraw/zinc/03/02/15/1430030215.db2.gz FAICWOJBBJJNTF-KXBFYZLASA-N 0 1 381.451 3.409 20 0 GGADMN CC(=O)NCc1ccc(C(=O)O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000180772540 1430030995 /nfs/dbraw/zinc/03/09/95/1430030995.db2.gz RJZDFOXZCPKWAA-HSZRJFAPSA-N 0 1 392.499 3.243 20 0 GGADMN CC(=O)Nc1nc(C(=O)O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cs1 ZINC000180772487 1430031231 /nfs/dbraw/zinc/03/12/31/1430031231.db2.gz ZGASKKKQARELAD-QGZVFWFLSA-N 0 1 385.489 3.022 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000180773388 1430031559 /nfs/dbraw/zinc/03/15/59/1430031559.db2.gz YPWVKJFZVXZNGP-DOMZBBRYSA-N 0 1 377.485 3.236 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000180780582 1430035200 /nfs/dbraw/zinc/03/52/00/1430035200.db2.gz HZHQBCBXFGUPRK-UHFFFAOYSA-N 0 1 399.472 3.241 20 0 GGADMN COc1cccc2c1CCN(Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)C2 ZINC000180783441 1430036352 /nfs/dbraw/zinc/03/63/52/1430036352.db2.gz BFPREJVLKOYCGG-UHFFFAOYSA-N 0 1 377.444 3.415 20 0 GGADMN CCc1ccc(C2=CCN(Cc3c(C)nn(C)c3N3CCOCC3)CC2)cc1 ZINC000180785227 1430038315 /nfs/dbraw/zinc/03/83/15/1430038315.db2.gz OESPCQHEXLKZMC-UHFFFAOYSA-N 0 1 380.536 3.417 20 0 GGADMN COc1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc2c1OCO2 ZINC000180794727 1430044513 /nfs/dbraw/zinc/04/45/13/1430044513.db2.gz JDTDCUCGEPLKDG-ZDUSSCGKSA-N 0 1 383.370 3.476 20 0 GGADMN [O-]c1c(Br)cccc1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000180796624 1430045617 /nfs/dbraw/zinc/04/56/17/1430045617.db2.gz BPFKZBBKCMHROL-UHFFFAOYSA-N 0 1 397.357 3.479 20 0 GGADMN C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824625783 1430046109 /nfs/dbraw/zinc/04/61/09/1430046109.db2.gz JZXATFBCDPTLFP-SNVBAGLBSA-N 0 1 396.348 3.193 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000180807511 1430052435 /nfs/dbraw/zinc/05/24/35/1430052435.db2.gz ZSODCZWBJDEGNR-AWEZNQCLSA-N 0 1 391.434 3.225 20 0 GGADMN CCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825308198 1430054702 /nfs/dbraw/zinc/05/47/02/1430054702.db2.gz XJTCCWWRNVHMAU-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN CCC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000825308198 1430054712 /nfs/dbraw/zinc/05/47/12/1430054712.db2.gz XJTCCWWRNVHMAU-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN CCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000825308198 1430054716 /nfs/dbraw/zinc/05/47/16/1430054716.db2.gz XJTCCWWRNVHMAU-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N(C)CCOCC)cc2Cl)CC1 ZINC000180816304 1430055954 /nfs/dbraw/zinc/05/59/54/1430055954.db2.gz NVNFJIJKUFEHOP-UHFFFAOYSA-N 0 1 382.936 3.372 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1cccc2cccnc21 ZINC000180822452 1430058468 /nfs/dbraw/zinc/05/84/68/1430058468.db2.gz VJYHCCYHIKKGOE-QGZVFWFLSA-N 0 1 383.517 3.175 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180827974 1430060419 /nfs/dbraw/zinc/06/04/19/1430060419.db2.gz NUYPKRZOJOKBOZ-HNNXBMFYSA-N 0 1 380.448 3.179 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000826184377 1430064215 /nfs/dbraw/zinc/06/42/15/1430064215.db2.gz UWQMPLFEAMPSLB-GOSISDBHSA-N 0 1 395.463 3.048 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN(C)CCNC(=O)C(C)C)c2)cc1 ZINC000180837569 1430064734 /nfs/dbraw/zinc/06/47/34/1430064734.db2.gz VMNVRCUMSBZFCS-UHFFFAOYSA-N 0 1 383.492 3.152 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c1 ZINC000180840220 1430065739 /nfs/dbraw/zinc/06/57/39/1430065739.db2.gz VFNJXZJKBKKLGS-GOSISDBHSA-N 0 1 380.410 3.314 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000823672147 1430065742 /nfs/dbraw/zinc/06/57/42/1430065742.db2.gz BKISPEZOFMNHSW-AZUAARDMSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672147 1430065745 /nfs/dbraw/zinc/06/57/45/1430065745.db2.gz BKISPEZOFMNHSW-AZUAARDMSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672147 1430065748 /nfs/dbraw/zinc/06/57/48/1430065748.db2.gz BKISPEZOFMNHSW-AZUAARDMSA-N 0 1 388.475 3.208 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180840393 1430066002 /nfs/dbraw/zinc/06/60/02/1430066002.db2.gz IKNLTPNKMFYMFX-OAHLLOKOSA-N 0 1 377.448 3.120 20 0 GGADMN Cc1ccccc1[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826306302 1430068700 /nfs/dbraw/zinc/06/87/00/1430068700.db2.gz VPKKPIJSRGBQPD-XLIONFOSSA-N 0 1 395.507 3.292 20 0 GGADMN C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)[N@H+]1CCc2sccc2C1 ZINC000736025619 1430072424 /nfs/dbraw/zinc/07/24/24/1430072424.db2.gz IPKHJMZLMCNNLX-ZDUSSCGKSA-N 0 1 391.504 3.335 20 0 GGADMN C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824528509 1430077855 /nfs/dbraw/zinc/07/78/55/1430077855.db2.gz ASSITDJURBVBHZ-LIRRHRJNSA-N 0 1 394.454 3.020 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)c1 ZINC000180877706 1430083563 /nfs/dbraw/zinc/08/35/63/1430083563.db2.gz WDBAIWLDFLZBHY-UHFFFAOYSA-N 0 1 375.419 3.178 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)Nc3nc(-c4ccccc4OC)n[nH]3)c21 ZINC000180877363 1430083766 /nfs/dbraw/zinc/08/37/66/1430083766.db2.gz MFSFILQTPACJLF-UHFFFAOYSA-N 0 1 377.404 3.151 20 0 GGADMN CCCc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000180884307 1430088218 /nfs/dbraw/zinc/08/82/18/1430088218.db2.gz TWMIWECTVLXUFO-QGZVFWFLSA-N 0 1 390.549 3.103 20 0 GGADMN C[C@@H]1CC[C@H](NCc2ccccc2S(=O)(=O)N(C)CCO)c2ccccc21 ZINC000180886332 1430089951 /nfs/dbraw/zinc/08/99/51/1430089951.db2.gz ONOHZUXXVBSJSC-UZLBHIALSA-N 0 1 388.533 3.028 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000180892457 1430093202 /nfs/dbraw/zinc/09/32/02/1430093202.db2.gz QNAIFLKDFKQTPG-SFHVURJKSA-N 0 1 381.538 3.214 20 0 GGADMN Fc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2nn[n-]n2)c1 ZINC000737649056 1430094373 /nfs/dbraw/zinc/09/43/73/1430094373.db2.gz KWWPZYQHUUXFCS-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000180897599 1430095931 /nfs/dbraw/zinc/09/59/31/1430095931.db2.gz MTNXSYLAUUERTK-KRWDZBQOSA-N 0 1 388.471 3.425 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000180896853 1430096056 /nfs/dbraw/zinc/09/60/56/1430096056.db2.gz KBVYCMRVIIXXNZ-JKSUJKDBSA-N 0 1 394.397 3.091 20 0 GGADMN Cc1c([C@@H](C)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cnn1C ZINC000180900659 1430097751 /nfs/dbraw/zinc/09/77/51/1430097751.db2.gz WEANAMDVWORIHV-BDJLRTHQSA-N 0 1 382.386 3.083 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821000802 1430099561 /nfs/dbraw/zinc/09/95/61/1430099561.db2.gz JTOOZUDGYSTKQF-UONOGXRCSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821000802 1430099567 /nfs/dbraw/zinc/09/95/67/1430099567.db2.gz JTOOZUDGYSTKQF-UONOGXRCSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821000802 1430099569 /nfs/dbraw/zinc/09/95/69/1430099569.db2.gz JTOOZUDGYSTKQF-UONOGXRCSA-N 0 1 389.891 3.001 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(-c2ccncc2)cc1 ZINC000180911545 1430106097 /nfs/dbraw/zinc/10/60/97/1430106097.db2.gz YIPYAPOYJOTSMP-HNNXBMFYSA-N 0 1 394.500 3.487 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820562152 1430107986 /nfs/dbraw/zinc/10/79/86/1430107986.db2.gz DPJMJKRBNGFUQD-JMGYQRAPSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820562152 1430107993 /nfs/dbraw/zinc/10/79/93/1430107993.db2.gz DPJMJKRBNGFUQD-JMGYQRAPSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820562152 1430107996 /nfs/dbraw/zinc/10/79/96/1430107996.db2.gz DPJMJKRBNGFUQD-JMGYQRAPSA-N 0 1 399.520 3.066 20 0 GGADMN COc1ccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826192418 1430109525 /nfs/dbraw/zinc/10/95/25/1430109525.db2.gz MTSOYIZZEKNNEK-GOSISDBHSA-N 0 1 379.464 3.094 20 0 GGADMN CC(=O)N1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C(C)(C)C1 ZINC000180916433 1430112639 /nfs/dbraw/zinc/11/26/39/1430112639.db2.gz LOTJOSQWVYWGCG-UHFFFAOYSA-N 0 1 393.531 3.402 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cccc(NC(C)=O)c3)C2=O)cc1 ZINC000180916948 1430113207 /nfs/dbraw/zinc/11/32/07/1430113207.db2.gz OVVKSOBAQQHFTQ-BTYIYWSLSA-N 0 1 381.476 3.105 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(F)cc3N(C)C)C2=O)cc1 ZINC000180917587 1430113632 /nfs/dbraw/zinc/11/36/32/1430113632.db2.gz ZGZOBEURNNFZNR-FOIQADDNSA-N 0 1 385.483 3.352 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)n[nH]1 ZINC000180922901 1430117046 /nfs/dbraw/zinc/11/70/46/1430117046.db2.gz JINZGVGCHFWMGL-UHFFFAOYSA-N 0 1 387.399 3.449 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(OC)c(OC)cc3C)C2=O)cc1 ZINC000180923587 1430117145 /nfs/dbraw/zinc/11/71/45/1430117145.db2.gz CICTZHZRRSXSSO-OXJNMPFZSA-N 0 1 398.503 3.473 20 0 GGADMN CCc1nc2c(s1)[C@@H](N[C@@H]1CCN(Cc3ccc(OC)cc3)C1=O)CCC2 ZINC000180923999 1430117444 /nfs/dbraw/zinc/11/74/44/1430117444.db2.gz NVGZMZYKIISYDI-FUHWJXTLSA-N 0 1 385.533 3.482 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001139850463 1430118726 /nfs/dbraw/zinc/11/87/26/1430118726.db2.gz AUUIGCIGMOQMKR-NRFANRHFSA-N 0 1 398.511 3.232 20 0 GGADMN Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826305025 1430118768 /nfs/dbraw/zinc/11/87/68/1430118768.db2.gz HNCBBHYDFXNAHX-HNAYVOBHSA-N 0 1 389.507 3.377 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H](C)c1cccc(O)c1 ZINC000821207561 1430119168 /nfs/dbraw/zinc/11/91/68/1430119168.db2.gz QRFWXKUOMLMDNC-LBPRGKRZSA-N 0 1 386.481 3.046 20 0 GGADMN CC[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H](C)c1cccc(O)c1 ZINC000821207561 1430119170 /nfs/dbraw/zinc/11/91/70/1430119170.db2.gz QRFWXKUOMLMDNC-LBPRGKRZSA-N 0 1 386.481 3.046 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H](C)c1cccc(O)c1 ZINC000821207561 1430119172 /nfs/dbraw/zinc/11/91/72/1430119172.db2.gz QRFWXKUOMLMDNC-LBPRGKRZSA-N 0 1 386.481 3.046 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826297823 1430121320 /nfs/dbraw/zinc/12/13/20/1430121320.db2.gz UIKVOMQZOMJSJK-MRXNPFEDSA-N 0 1 396.520 3.281 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826297823 1430121326 /nfs/dbraw/zinc/12/13/26/1430121326.db2.gz UIKVOMQZOMJSJK-MRXNPFEDSA-N 0 1 396.520 3.281 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NCCN(C)Cc2ccc(F)cc2)cc1OC ZINC000180933106 1430122194 /nfs/dbraw/zinc/12/21/94/1430122194.db2.gz MVJNADLMOJUMDM-INIZCTEOSA-N 0 1 388.483 3.270 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3ncn(C)c3Cl)cc2)C1 ZINC000180934273 1430122934 /nfs/dbraw/zinc/12/29/34/1430122934.db2.gz MMHOZZPVMSBXEN-CYBMUJFWSA-N 0 1 382.917 3.106 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000826374994 1430134165 /nfs/dbraw/zinc/13/41/65/1430134165.db2.gz VPZCNZCMBMBOOZ-MRXNPFEDSA-N 0 1 377.427 3.020 20 0 GGADMN Cc1c([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cnn1-c1cccc(Cl)c1 ZINC000180959067 1430135495 /nfs/dbraw/zinc/13/54/95/1430135495.db2.gz ALIKPLLOJWKZOY-BFUOFWGJSA-N 0 1 398.898 3.024 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000180957439 1430135574 /nfs/dbraw/zinc/13/55/74/1430135574.db2.gz PUXSZDOYQACEPH-GFCCVEGCSA-N 0 1 387.402 3.047 20 0 GGADMN Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000180959706 1430136553 /nfs/dbraw/zinc/13/65/53/1430136553.db2.gz RNFDNZRSOZYXPX-YVEFUNNKSA-N 0 1 399.495 3.447 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139855025 1430136533 /nfs/dbraw/zinc/13/65/33/1430136533.db2.gz RLQXOTUAYXANBO-NJAFHUGGSA-N 0 1 383.496 3.342 20 0 GGADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000180962352 1430138629 /nfs/dbraw/zinc/13/86/29/1430138629.db2.gz NSKJXQUVKWBDCW-KDOFPFPSSA-N 0 1 395.532 3.232 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180963343 1430138751 /nfs/dbraw/zinc/13/87/51/1430138751.db2.gz QEHZKAXFEWZWLZ-HTAPYJJXSA-N 0 1 390.487 3.455 20 0 GGADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000180962311 1430138823 /nfs/dbraw/zinc/13/88/23/1430138823.db2.gz NSKJXQUVKWBDCW-RDTXWAMCSA-N 0 1 395.532 3.232 20 0 GGADMN Cc1cccc(CCCN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000180965184 1430140209 /nfs/dbraw/zinc/14/02/09/1430140209.db2.gz NROBEQRILBWBDG-UHFFFAOYSA-N 0 1 381.520 3.335 20 0 GGADMN Cc1cc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)nn1-c1cccc(F)c1 ZINC000180965940 1430140636 /nfs/dbraw/zinc/14/06/36/1430140636.db2.gz POAOYEBXSRLICC-UHFFFAOYSA-N 0 1 395.419 3.097 20 0 GGADMN CCc1nc2ccccc2n1C1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000180968927 1430142403 /nfs/dbraw/zinc/14/24/03/1430142403.db2.gz PMWJLJWUUMYFEH-OAHLLOKOSA-N 0 1 399.539 3.248 20 0 GGADMN CCOc1cccc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000180969073 1430142881 /nfs/dbraw/zinc/14/28/81/1430142881.db2.gz MMBIBINNMPFUQI-UHFFFAOYSA-N 0 1 389.540 3.119 20 0 GGADMN Clc1ccc([C@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCO2)cc1 ZINC000826351295 1430143554 /nfs/dbraw/zinc/14/35/54/1430143554.db2.gz HLVMWUOHZFCZSH-GOSISDBHSA-N 0 1 396.882 3.372 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000180975858 1430146842 /nfs/dbraw/zinc/14/68/42/1430146842.db2.gz HWBBCCRERKQXFT-DYVFJYSZSA-N 0 1 396.457 3.412 20 0 GGADMN COc1ccc2c(c1)CCCN2C(=O)CN(Cc1ccccc1)[C@H](C)CCO ZINC000180976051 1430146861 /nfs/dbraw/zinc/14/68/61/1430146861.db2.gz CSQGAJZCODKLHE-GOSISDBHSA-N 0 1 382.504 3.248 20 0 GGADMN C[C@@H](CCO)N(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1 ZINC000180975668 1430146876 /nfs/dbraw/zinc/14/68/76/1430146876.db2.gz VLKDJEBPBLRSHI-KRWDZBQOSA-N 0 1 397.544 3.228 20 0 GGADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821014367 1430147763 /nfs/dbraw/zinc/14/77/63/1430147763.db2.gz FKWGCHUJIRDWDL-WBMJQRKESA-N 0 1 376.892 3.359 20 0 GGADMN C[C@@H](CCO)N(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000180984209 1430151879 /nfs/dbraw/zinc/15/18/79/1430151879.db2.gz ZFLWOBDMXGWUHK-SFHVURJKSA-N 0 1 395.503 3.025 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736268937 1430157912 /nfs/dbraw/zinc/15/79/12/1430157912.db2.gz YNXIUZLWZZMJFC-NSHDSACASA-N 0 1 383.422 3.203 20 0 GGADMN C[C@H]1CCC[N@@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736268937 1430157914 /nfs/dbraw/zinc/15/79/14/1430157914.db2.gz YNXIUZLWZZMJFC-NSHDSACASA-N 0 1 383.422 3.203 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736268937 1430157918 /nfs/dbraw/zinc/15/79/18/1430157918.db2.gz YNXIUZLWZZMJFC-NSHDSACASA-N 0 1 383.422 3.203 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC000180997021 1430158779 /nfs/dbraw/zinc/15/87/79/1430158779.db2.gz XDYWIHFYPBHKDI-WCRBZPEASA-N 0 1 377.488 3.053 20 0 GGADMN FC(F)Oc1cccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)c1 ZINC000826370551 1430159756 /nfs/dbraw/zinc/15/97/56/1430159756.db2.gz YFSSMJUTYJWPFC-HNNXBMFYSA-N 0 1 393.419 3.103 20 0 GGADMN CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000181000947 1430161042 /nfs/dbraw/zinc/16/10/42/1430161042.db2.gz KUJICRYXSADOJI-QGZVFWFLSA-N 0 1 380.414 3.316 20 0 GGADMN CCCn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000181000947 1430161044 /nfs/dbraw/zinc/16/10/44/1430161044.db2.gz KUJICRYXSADOJI-QGZVFWFLSA-N 0 1 380.414 3.316 20 0 GGADMN Cc1cccc(CCCN2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 ZINC000181004968 1430163016 /nfs/dbraw/zinc/16/30/16/1430163016.db2.gz XNXOTHTYCZRFCF-UHFFFAOYSA-N 0 1 377.532 3.135 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000181010161 1430164720 /nfs/dbraw/zinc/16/47/20/1430164720.db2.gz YDRKWJLDHUBJTK-LJQANCHMSA-N 0 1 390.531 3.427 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(N)=O)cs1 ZINC000181010645 1430165649 /nfs/dbraw/zinc/16/56/49/1430165649.db2.gz JLLHMXNZRCVBIA-JWTNVVGKSA-N 0 1 383.517 3.115 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NNC(=O)c2cc3ccccc3o2)cc1OC ZINC000181030795 1430176320 /nfs/dbraw/zinc/17/63/20/1430176320.db2.gz QKNUAVQYOKVRMY-ZDUSSCGKSA-N 0 1 382.416 3.090 20 0 GGADMN CCc1oc2ccccc2c1C[N@H+](C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825777416 1430177740 /nfs/dbraw/zinc/17/77/40/1430177740.db2.gz WJMPRQQZQHZUCH-UHFFFAOYSA-N 0 1 387.447 3.455 20 0 GGADMN CCc1oc2ccccc2c1C[N@@H+](C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825777416 1430177746 /nfs/dbraw/zinc/17/77/46/1430177746.db2.gz WJMPRQQZQHZUCH-UHFFFAOYSA-N 0 1 387.447 3.455 20 0 GGADMN C[NH+](C)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000181034967 1430178700 /nfs/dbraw/zinc/17/87/00/1430178700.db2.gz PIAJSAPNQNNHQW-UHFFFAOYSA-N 0 1 394.928 3.066 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)c3nccs3)CCN2C2CC2)c1 ZINC000181035168 1430179347 /nfs/dbraw/zinc/17/93/47/1430179347.db2.gz XGNMIVVOIIQLID-DOPJRALCSA-N 0 1 386.521 3.490 20 0 GGADMN COc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000181035805 1430179359 /nfs/dbraw/zinc/17/93/59/1430179359.db2.gz RLAHPLKAFLZMON-UHFFFAOYSA-N 0 1 389.521 3.026 20 0 GGADMN COC[C@@H](O)CCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000181038889 1430180431 /nfs/dbraw/zinc/18/04/31/1430180431.db2.gz GPZSMSCBJHTAGN-MGPUTAFESA-N 0 1 377.868 3.188 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000181036972 1430180449 /nfs/dbraw/zinc/18/04/49/1430180449.db2.gz WKLGROFPSFRJFT-OAHLLOKOSA-N 0 1 389.521 3.007 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)c1F ZINC000181040680 1430181516 /nfs/dbraw/zinc/18/15/16/1430181516.db2.gz CLDXRRPZALQTST-UHFFFAOYSA-N 0 1 375.425 3.247 20 0 GGADMN CC[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCCO1 ZINC000825149422 1430183331 /nfs/dbraw/zinc/18/33/31/1430183331.db2.gz YIPSMUJQFAOEJN-NHCUHLMSSA-N 0 1 393.491 3.493 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824662121 1430187801 /nfs/dbraw/zinc/18/78/01/1430187801.db2.gz CXFFZNOIFHLIGZ-NEPJUHHUSA-N 0 1 395.433 3.345 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824662121 1430187803 /nfs/dbraw/zinc/18/78/03/1430187803.db2.gz CXFFZNOIFHLIGZ-NEPJUHHUSA-N 0 1 395.433 3.345 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824662121 1430187805 /nfs/dbraw/zinc/18/78/05/1430187805.db2.gz CXFFZNOIFHLIGZ-NEPJUHHUSA-N 0 1 395.433 3.345 20 0 GGADMN CCn1nccc1CN[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181058702 1430191288 /nfs/dbraw/zinc/19/12/88/1430191288.db2.gz JEEUTHRZVKLBKJ-QGZVFWFLSA-N 0 1 380.414 3.203 20 0 GGADMN Cn1cc(C[NH2+]C[C@@H]2CCc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361017 1430193913 /nfs/dbraw/zinc/19/39/13/1430193913.db2.gz HVEPEUKOUJDPGA-SFHVURJKSA-N 0 1 385.475 3.087 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(C2CCCCC2)nn1C ZINC000181064060 1430194242 /nfs/dbraw/zinc/19/42/42/1430194242.db2.gz OZCZSYZQYABREN-UHFFFAOYSA-N 0 1 395.481 3.211 20 0 GGADMN CC[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC000825148768 1430194647 /nfs/dbraw/zinc/19/46/47/1430194647.db2.gz UCIBJAYJKPFBAN-LEWJYISDSA-N 0 1 393.491 3.493 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 ZINC000181071204 1430196892 /nfs/dbraw/zinc/19/68/92/1430196892.db2.gz MLDTWXPAWVUVES-PMACEKPBSA-N 0 1 385.483 3.106 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CCN(CC(C)(C)O)CC2)on1 ZINC000181073501 1430198679 /nfs/dbraw/zinc/19/86/79/1430198679.db2.gz IKFVCLOQQPFSBH-UHFFFAOYSA-N 0 1 395.503 3.392 20 0 GGADMN O=C([N-][C@H]1C[N@H+](CC2=CCCOC2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000181075564 1430199977 /nfs/dbraw/zinc/19/99/77/1430199977.db2.gz NJWKWHWHFWCLTM-IRXDYDNUSA-N 0 1 386.389 3.009 20 0 GGADMN C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627663 1430201076 /nfs/dbraw/zinc/20/10/76/1430201076.db2.gz ZZWUYLQQCPRSQM-SNVBAGLBSA-N 0 1 396.348 3.193 20 0 GGADMN C[C@@H]1COCCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825006299 1430203680 /nfs/dbraw/zinc/20/36/80/1430203680.db2.gz ILQBSLHIPQVVMF-MRXNPFEDSA-N 0 1 379.464 3.057 20 0 GGADMN CCc1nn(C)c(OC)c1CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181094581 1430207754 /nfs/dbraw/zinc/20/77/54/1430207754.db2.gz RGGFLCZMGIIMCV-UHFFFAOYSA-N 0 1 378.383 3.127 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(CC(F)(F)F)CC1 ZINC000181094889 1430207865 /nfs/dbraw/zinc/20/78/65/1430207865.db2.gz KOOMJXYOQYNDAO-UHFFFAOYSA-N 0 1 377.317 3.212 20 0 GGADMN COc1ccc(-c2nc(NC(=O)CN(C)CCCn3ccnc3)sc2C)cc1 ZINC000181095976 1430208666 /nfs/dbraw/zinc/20/86/66/1430208666.db2.gz ZDIBSLGKHSLDSS-UHFFFAOYSA-N 0 1 399.520 3.284 20 0 GGADMN COc1cccc([C@@H](O)CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000181097160 1430208950 /nfs/dbraw/zinc/20/89/50/1430208950.db2.gz AYINDSGHGUFQKV-HNNXBMFYSA-N 0 1 376.363 3.364 20 0 GGADMN Cn1cnn(-c2ccc(NC(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)cc2)c1=O ZINC000181099556 1430209194 /nfs/dbraw/zinc/20/91/94/1430209194.db2.gz UEYCIFMUROFANA-UHFFFAOYSA-N 0 1 399.361 3.029 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000181099124 1430209414 /nfs/dbraw/zinc/20/94/14/1430209414.db2.gz VCWBHOSZLNGOCZ-LLVKDONJSA-N 0 1 390.369 3.435 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)cc1OC ZINC000181106300 1430212257 /nfs/dbraw/zinc/21/22/57/1430212257.db2.gz KAXJGPRKFGANKS-UHFFFAOYSA-N 0 1 383.445 3.035 20 0 GGADMN CC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])s2)C1C(=O)OCc1ccccc1 ZINC000181107291 1430212633 /nfs/dbraw/zinc/21/26/33/1430212633.db2.gz UKDHFZDTOGOTJX-HNNXBMFYSA-N 0 1 389.458 3.193 20 0 GGADMN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181107976 1430213144 /nfs/dbraw/zinc/21/31/44/1430213144.db2.gz JCTHGQUYHWMOBH-NHCUHLMSSA-N 0 1 389.515 3.216 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CCC[C@H](OCCO)C2)on1 ZINC000181113438 1430214987 /nfs/dbraw/zinc/21/49/87/1430214987.db2.gz YSJANVVAGSRBCR-KRWDZBQOSA-N 0 1 382.460 3.477 20 0 GGADMN Cc1cc(CN2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)on1 ZINC000181114651 1430215557 /nfs/dbraw/zinc/21/55/57/1430215557.db2.gz PBNXBBZSRGVRKC-UHFFFAOYSA-N 0 1 390.394 3.147 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1nnnn1-c1ccccc1 ZINC000181116593 1430215792 /nfs/dbraw/zinc/21/57/92/1430215792.db2.gz ZWLZOIKYNBWPMR-SNVBAGLBSA-N 0 1 398.377 3.359 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000181115669 1430215905 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384.501 3.158 20 0 GGADMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)Nc2nncs2)cc1 ZINC000181137548 1430222526 /nfs/dbraw/zinc/22/25/26/1430222526.db2.gz CJKWKEQVRKNGPA-QGZVFWFLSA-N 0 1 386.452 3.198 20 0 GGADMN O=C(NCCc1cc(F)cc(F)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181143378 1430225181 /nfs/dbraw/zinc/22/51/81/1430225181.db2.gz QJULKWQWTBPKKU-UHFFFAOYSA-N 0 1 395.494 3.041 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)c(C)c1F ZINC000181155755 1430230481 /nfs/dbraw/zinc/23/04/81/1430230481.db2.gz QBZBHLYZWMDFPE-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN O[C@@H](COCc1ccccc1)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000181156101 1430230550 /nfs/dbraw/zinc/23/05/50/1430230550.db2.gz YBIRSBGDAGCLLD-INIZCTEOSA-N 0 1 377.416 3.420 20 0 GGADMN O=[N+]([O-])c1cccc([C@@H](O)CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000181156691 1430230973 /nfs/dbraw/zinc/23/09/73/1430230973.db2.gz RTOPQAKVOSJKQZ-AWEZNQCLSA-N 0 1 378.360 3.484 20 0 GGADMN CN(CC(=O)Nc1ccc(COc2ccccc2)cc1)c1ncnc2[nH]cnc21 ZINC000181160672 1430232183 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1430265267 /nfs/dbraw/zinc/26/52/67/1430265267.db2.gz GENQYZRZZUSWSG-FQEVSTJZSA-N 0 1 388.471 3.187 20 0 GGADMN CN(C)C(=O)c1ccc(C(=O)O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181293943 1430265629 /nfs/dbraw/zinc/26/56/29/1430265629.db2.gz QDOQSVHSIJOKLX-JOCHJYFZSA-N 0 1 392.499 3.308 20 0 GGADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN[C@H](C)c1cccnc1 ZINC000181295629 1430266064 /nfs/dbraw/zinc/26/60/64/1430266064.db2.gz MDMUWKSENPCXBB-CYBMUJFWSA-N 0 1 397.397 3.415 20 0 GGADMN C[C@@H](NCC(=O)NCc1ccc(Cl)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181300033 1430266762 /nfs/dbraw/zinc/26/67/62/1430266762.db2.gz LGEAPGQRVTZROI-CQSZACIVSA-N 0 1 387.867 3.264 20 0 GGADMN CCC[C@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CCN1Cc1ccccc1 ZINC000181301646 1430267397 /nfs/dbraw/zinc/26/73/97/1430267397.db2.gz CHSJZDAZNJZIMI-NRFANRHFSA-N 0 1 391.515 3.237 20 0 GGADMN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000181302881 1430267623 /nfs/dbraw/zinc/26/76/23/1430267623.db2.gz CVCJMQJTOGCWDG-CQSZACIVSA-N 0 1 387.867 3.264 20 0 GGADMN CO[C@H](C)CCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000181304905 1430268008 /nfs/dbraw/zinc/26/80/08/1430268008.db2.gz ODAAKOOEPXKYMR-LJQANCHMSA-N 0 1 396.535 3.200 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000181304478 1430268296 /nfs/dbraw/zinc/26/82/96/1430268296.db2.gz AWNSALZUJIEECE-GFCCVEGCSA-N 0 1 375.375 3.211 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181305297 1430268437 /nfs/dbraw/zinc/26/84/37/1430268437.db2.gz UPHDDFVWCUDVNT-INIZCTEOSA-N 0 1 399.466 3.482 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181307122 1430269105 /nfs/dbraw/zinc/26/91/05/1430269105.db2.gz GHQWZOWORVNVJX-ZWKOTPCHSA-N 0 1 395.503 3.350 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)NCC3(CN4CCOCC4)CCCCC3)c21 ZINC000181307443 1430269115 /nfs/dbraw/zinc/26/91/15/1430269115.db2.gz ULTVEVYEBUMHDS-UHFFFAOYSA-N 0 1 399.535 3.118 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181315764 1430271285 /nfs/dbraw/zinc/27/12/85/1430271285.db2.gz ZZFSVDPVLLSEAM-HUUCEWRRSA-N 0 1 385.468 3.098 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000181318681 1430271748 /nfs/dbraw/zinc/27/17/48/1430271748.db2.gz CKRIBQLQSWVNAG-FZKQIMNGSA-N 0 1 378.469 3.298 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000181325705 1430273105 /nfs/dbraw/zinc/27/31/05/1430273105.db2.gz YHHKWSZWZWZTJD-FZKQIMNGSA-N 0 1 378.469 3.298 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccnc1Cl ZINC000181329770 1430274336 /nfs/dbraw/zinc/27/43/36/1430274336.db2.gz FJMMMZCKGNJSKN-CHWSQXEVSA-N 0 1 388.855 3.369 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000181329635 1430274395 /nfs/dbraw/zinc/27/43/95/1430274395.db2.gz LGWGTBIYTKLFMP-OAHLLOKOSA-N 0 1 397.479 3.244 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181332986 1430275145 /nfs/dbraw/zinc/27/51/45/1430275145.db2.gz KSWHCLGAGQOPBF-DLBZAZTESA-N 0 1 381.476 3.307 20 0 GGADMN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)nn1-c1ccccc1Cl ZINC000181334187 1430275533 /nfs/dbraw/zinc/27/55/33/1430275533.db2.gz JNVQMKUIGGAYQN-SFHVURJKSA-N 0 1 388.899 3.416 20 0 GGADMN Cc1cc(NC(=O)c2nnc3ccccc3c2O)nn1-c1ccccc1Cl ZINC000181335146 1430275727 /nfs/dbraw/zinc/27/57/27/1430275727.db2.gz JTAUYGIJMZDGAR-UHFFFAOYSA-N 0 1 379.807 3.323 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(OC(C)(C)C)nc2)c1 ZINC000181341996 1430277719 /nfs/dbraw/zinc/27/77/19/1430277719.db2.gz YTXXBKMGBOMDIB-CQSZACIVSA-N 0 1 377.510 3.018 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(OC(C)(C)C)nc2)cc1 ZINC000181347527 1430279150 /nfs/dbraw/zinc/27/91/50/1430279150.db2.gz IJHQREWOXRDJHV-AWEZNQCLSA-N 0 1 377.510 3.018 20 0 GGADMN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181350295 1430279580 /nfs/dbraw/zinc/27/95/80/1430279580.db2.gz ANPDGIPCLNSTJV-OAHLLOKOSA-N 0 1 391.537 3.360 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[n-]2)C1)[NH+]1CCCCCC1 ZINC000181359033 1430281312 /nfs/dbraw/zinc/28/13/12/1430281312.db2.gz QJTPIECTXAUXOS-IEBWSBKVSA-N 0 1 381.524 3.442 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)s1 ZINC000181373053 1430283784 /nfs/dbraw/zinc/28/37/84/1430283784.db2.gz QITZVMSLCAJXHN-APWZRJJASA-N 0 1 389.565 3.365 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000181373286 1430283824 /nfs/dbraw/zinc/28/38/24/1430283824.db2.gz DWGIUUISXNXTCA-ACJLOTCBSA-N 0 1 394.516 3.112 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H](CN2CCOCC2)c2ccccc2)s1 ZINC000181373087 1430283862 /nfs/dbraw/zinc/28/38/62/1430283862.db2.gz QITZVMSLCAJXHN-VQIMIIECSA-N 0 1 389.565 3.365 20 0 GGADMN Cc1nn(C)c(Cl)c1CN[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000181384806 1430285589 /nfs/dbraw/zinc/28/55/89/1430285589.db2.gz KZBLGRMNEXHGTP-CQSZACIVSA-N 0 1 389.931 3.489 20 0 GGADMN COC(=O)c1cc(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)oc1C ZINC000181385091 1430286127 /nfs/dbraw/zinc/28/61/27/1430286127.db2.gz TWBKHXIIOJWRID-HNNXBMFYSA-N 0 1 399.491 3.482 20 0 GGADMN CC[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000181385581 1430286261 /nfs/dbraw/zinc/28/62/61/1430286261.db2.gz IXBTUKSNOHJTIG-QGZVFWFLSA-N 0 1 379.453 3.112 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)o1 ZINC000181385180 1430286353 /nfs/dbraw/zinc/28/63/53/1430286353.db2.gz PVBGRCAJFNLQIV-HNNXBMFYSA-N 0 1 385.464 3.173 20 0 GGADMN CC1([C@H]2CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)OCCO1 ZINC000181386714 1430286610 /nfs/dbraw/zinc/28/66/10/1430286610.db2.gz ALWZBPXEFZKPNV-AWEZNQCLSA-N 0 1 375.856 3.345 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)C[C@@H](C)O1 ZINC000181389853 1430287031 /nfs/dbraw/zinc/28/70/31/1430287031.db2.gz IXVGPYDVGJBMFQ-CHWSQXEVSA-N 0 1 389.418 3.090 20 0 GGADMN Cc1cnc([C@@H](C)NC(=O)N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000181392818 1430287536 /nfs/dbraw/zinc/28/75/36/1430287536.db2.gz CCRAWKVQBPKLDZ-MRXNPFEDSA-N 0 1 380.558 3.047 20 0 GGADMN C[C@@H]1CCC[C@H](CO)N1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181391881 1430287627 /nfs/dbraw/zinc/28/76/27/1430287627.db2.gz UCBIFGQGBPNIOU-RHSMWYFYSA-N 0 1 387.505 3.174 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCC[C@@H]2CCCCO2)N2CCCCC2)cc1 ZINC000181392945 1430287752 /nfs/dbraw/zinc/28/77/52/1430287752.db2.gz DSSHWRPHDBTJRK-SFTDATJTSA-N 0 1 389.540 3.481 20 0 GGADMN O=C(NCCCOc1ccccc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181395163 1430288145 /nfs/dbraw/zinc/28/81/45/1430288145.db2.gz VYAKGMGKVILXDG-UHFFFAOYSA-N 0 1 388.374 3.024 20 0 GGADMN C[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181394582 1430288186 /nfs/dbraw/zinc/28/81/86/1430288186.db2.gz UXSZHPVGDVSZEV-SFHVURJKSA-N 0 1 391.515 3.312 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1O ZINC000181403586 1430289476 /nfs/dbraw/zinc/28/94/76/1430289476.db2.gz JHNPNPUIMJZVKX-JWTNVVGKSA-N 0 1 382.435 3.439 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)NCCc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000181402736 1430289557 /nfs/dbraw/zinc/28/95/57/1430289557.db2.gz ULCAEFIZPHOQBR-MRXNPFEDSA-N 0 1 380.467 3.329 20 0 GGADMN O=C(NCc1ccc(OC(F)F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181404718 1430289900 /nfs/dbraw/zinc/28/99/00/1430289900.db2.gz NOVAQHKOEDOGKI-AWEZNQCLSA-N 0 1 391.422 3.373 20 0 GGADMN O=C(NCc1ccc(OC(F)F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181404740 1430289996 /nfs/dbraw/zinc/28/99/96/1430289996.db2.gz NOVAQHKOEDOGKI-CQSZACIVSA-N 0 1 391.422 3.373 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000181408061 1430290333 /nfs/dbraw/zinc/29/03/33/1430290333.db2.gz OYAYNZYUJQWMPB-CVEARBPZSA-N 0 1 394.475 3.201 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181409229 1430290806 /nfs/dbraw/zinc/29/08/06/1430290806.db2.gz DSPSWIRAMNLUKZ-QZTJIDSGSA-N 0 1 379.504 3.477 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000181408101 1430290811 /nfs/dbraw/zinc/29/08/11/1430290811.db2.gz OYAYNZYUJQWMPB-HZPDHXFCSA-N 0 1 394.475 3.201 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cn(C(C)C)cn4)C3)[nH]c2c1 ZINC000181417647 1430293259 /nfs/dbraw/zinc/29/32/59/1430293259.db2.gz XTWBRQZCACLIRH-HNNXBMFYSA-N 0 1 387.509 3.217 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cn(C(C)C)cn4)C3)[nH]c2c1 ZINC000181417627 1430293367 /nfs/dbraw/zinc/29/33/67/1430293367.db2.gz XTWBRQZCACLIRH-OAHLLOKOSA-N 0 1 387.509 3.217 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)OCO5)C3)[nH]c2c1 ZINC000181419176 1430293678 /nfs/dbraw/zinc/29/36/78/1430293678.db2.gz NNFWHEJNSPPOIV-AWEZNQCLSA-N 0 1 399.472 3.168 20 0 GGADMN Cc1cc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1F ZINC000181420707 1430294092 /nfs/dbraw/zinc/29/40/92/1430294092.db2.gz XVINQXHAVGCVBW-UHFFFAOYSA-N 0 1 376.338 3.203 20 0 GGADMN C[C@@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000181422405 1430294596 /nfs/dbraw/zinc/29/45/96/1430294596.db2.gz DZGZXAWDNYBXCB-DLBZAZTESA-N 0 1 377.488 3.442 20 0 GGADMN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000181422345 1430294721 /nfs/dbraw/zinc/29/47/21/1430294721.db2.gz DZGZXAWDNYBXCB-SJORKVTESA-N 0 1 377.488 3.442 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(F)cc2OCC(F)F)C[C@@H]1C ZINC000181423819 1430295157 /nfs/dbraw/zinc/29/51/57/1430295157.db2.gz POIXLKHDRGKMJJ-BETUJISGSA-N 0 1 389.418 3.043 20 0 GGADMN CC(C)N1CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000181426176 1430295833 /nfs/dbraw/zinc/29/58/33/1430295833.db2.gz YARFKKFAHXFCCV-SFHVURJKSA-N 0 1 383.458 3.222 20 0 GGADMN COc1ccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1OCC(F)(F)F ZINC000181426849 1430296011 /nfs/dbraw/zinc/29/60/11/1430296011.db2.gz ZAUBVMJLYLNQPX-CQSZACIVSA-N 0 1 389.418 3.440 20 0 GGADMN O=C1[C@H](N2CCC3(CC2)OCCO3)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000181433449 1430297627 /nfs/dbraw/zinc/29/76/27/1430297627.db2.gz ROGKOCJBSXHERM-QGZVFWFLSA-N 0 1 398.425 3.035 20 0 GGADMN O=C1[C@H](N2CCN(CC3CC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000181436040 1430298403 /nfs/dbraw/zinc/29/84/03/1430298403.db2.gz UDEVKENKQACGQO-LJQANCHMSA-N 0 1 395.469 3.224 20 0 GGADMN COC[C@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000181440033 1430299331 /nfs/dbraw/zinc/29/93/31/1430299331.db2.gz HDDVFZBVPXANAL-KXBFYZLASA-N 0 1 385.838 3.473 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(OC)c1 ZINC000181440758 1430299935 /nfs/dbraw/zinc/29/99/35/1430299935.db2.gz SSMMUDYDOOXYQN-CHWSQXEVSA-N 0 1 376.403 3.438 20 0 GGADMN COc1ccc([C@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(OC)c1 ZINC000181440741 1430299948 /nfs/dbraw/zinc/29/99/48/1430299948.db2.gz SSMMUDYDOOXYQN-QWHCGFSZSA-N 0 1 376.403 3.438 20 0 GGADMN COc1ccc(OC)c([C@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000181441748 1430300183 /nfs/dbraw/zinc/30/01/83/1430300183.db2.gz AKQPKTNLBQLKSC-QWHCGFSZSA-N 0 1 376.403 3.438 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181445529 1430301024 /nfs/dbraw/zinc/30/10/24/1430301024.db2.gz MHUXJBSXKFVSSQ-ZWKOTPCHSA-N 0 1 379.504 3.477 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 ZINC000181446267 1430301195 /nfs/dbraw/zinc/30/11/95/1430301195.db2.gz OOUVTAMSAJWNKG-YPMHNXCESA-N 0 1 395.475 3.375 20 0 GGADMN CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000181446863 1430301352 /nfs/dbraw/zinc/30/13/52/1430301352.db2.gz OEHBZQZYLODLCP-TZIWHRDSSA-N 0 1 398.551 3.165 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2sccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000181446770 1430301439 /nfs/dbraw/zinc/30/14/39/1430301439.db2.gz BXLWSERCEKZWKQ-CVEARBPZSA-N 0 1 397.544 3.499 20 0 GGADMN C[C@@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cccc(N2CCCC2=O)c1 ZINC000181447595 1430301645 /nfs/dbraw/zinc/30/16/45/1430301645.db2.gz YNBIEVFWTYMXNS-UZLBHIALSA-N 0 1 379.460 3.489 20 0 GGADMN COC[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000181447652 1430301808 /nfs/dbraw/zinc/30/18/08/1430301808.db2.gz LMAKKHXTFUOTOE-LIRRHRJNSA-N 0 1 376.403 3.163 20 0 GGADMN CN(CCc1ccncc1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181458198 1430304171 /nfs/dbraw/zinc/30/41/71/1430304171.db2.gz MSZVJGODJBBBPH-GOSISDBHSA-N 0 1 375.419 3.353 20 0 GGADMN C[C@@H](NC(=O)CNC1(c2cccc(Cl)c2)CCCC1)C(=O)N1CCCCC1 ZINC000181457821 1430304234 /nfs/dbraw/zinc/30/42/34/1430304234.db2.gz GAKFTFRYNPXVCA-MRXNPFEDSA-N 0 1 391.943 3.216 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2cccc3c2OCCCO3)cc1 ZINC000181460136 1430304562 /nfs/dbraw/zinc/30/45/62/1430304562.db2.gz MFNPTMGHIOIHCB-OAHLLOKOSA-N 0 1 390.505 3.460 20 0 GGADMN CCCN1c2ccc(NC(=O)N3CCN(C4CCCC4)CC3)cc2CCC1=O ZINC000181484952 1430308564 /nfs/dbraw/zinc/30/85/64/1430308564.db2.gz SNXFVQQZSFCHJN-UHFFFAOYSA-N 0 1 384.524 3.468 20 0 GGADMN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@H]1CCCC[C@@H]1O ZINC000181485637 1430308596 /nfs/dbraw/zinc/30/85/96/1430308596.db2.gz RXPBKUYVRYABMC-GCJKJVERSA-N 0 1 381.520 3.267 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(O)c2)c1 ZINC000181487538 1430308975 /nfs/dbraw/zinc/30/89/75/1430308975.db2.gz MAXZTPFAGVBMCV-YWZLYKJASA-N 0 1 384.476 3.424 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1ccc(C(F)(F)F)cc1)c1cccc(O)c1 ZINC000181492056 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1 383.492 3.295 20 0 GGADMN C[C@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000181568918 1430321533 /nfs/dbraw/zinc/32/15/33/1430321533.db2.gz GKWYSZDRKOMDND-ZDUSSCGKSA-N 0 1 382.382 3.257 20 0 GGADMN O=C(N[C@@H]1CCOc2ccc(F)cc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181571739 1430321816 /nfs/dbraw/zinc/32/18/16/1430321816.db2.gz ISCNXORMMJRYBB-XJKSGUPXSA-N 0 1 385.443 3.234 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@H](O)COc3ccccc3C(F)(F)F)C2)n1 ZINC000181570995 1430321854 /nfs/dbraw/zinc/32/18/54/1430321854.db2.gz RMQFJNNNOGTYNQ-KGLIPLIRSA-N 0 1 385.386 3.016 20 0 GGADMN Cc1noc(C2CCN(C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)n1 ZINC000181571656 1430321934 /nfs/dbraw/zinc/32/19/34/1430321934.db2.gz BEENWYDKHXASNB-CQSZACIVSA-N 0 1 385.386 3.016 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)c1cccs1 ZINC000181573407 1430322266 /nfs/dbraw/zinc/32/22/66/1430322266.db2.gz GETDGYYBFQIRKQ-SJORKVTESA-N 0 1 377.485 3.353 20 0 GGADMN Cc1cc(N2CCSCC2)ccc1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000181574680 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3.072 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000181591226 1430324462 /nfs/dbraw/zinc/32/44/62/1430324462.db2.gz ZEFMOSJRLFHIMB-UHFFFAOYSA-N 0 1 386.517 3.178 20 0 GGADMN CC(C)(C)[C@H](NC(=O)Cc1[nH]nc2ccccc21)C(=O)OCc1ccccc1 ZINC000181591502 1430324585 /nfs/dbraw/zinc/32/45/85/1430324585.db2.gz SGSPAYCILFNUDM-HXUWFJFHSA-N 0 1 379.460 3.380 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000181592033 1430324776 /nfs/dbraw/zinc/32/47/76/1430324776.db2.gz NREXDFSCMCFJID-OAHLLOKOSA-N 0 1 377.489 3.072 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000181594966 1430325211 /nfs/dbraw/zinc/32/52/11/1430325211.db2.gz KXICYXLAJMPTFU-ZDUSSCGKSA-N 0 1 396.459 3.438 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000181596966 1430325610 /nfs/dbraw/zinc/32/56/10/1430325610.db2.gz UNUUTCJUOARPRG-GOSISDBHSA-N 0 1 395.569 3.204 20 0 GGADMN COCCCOc1cccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000181602350 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377.529 3.352 20 0 GGADMN COc1cccc2cc([C@@H](C)NCC(=O)N3CCN(c4ccccc4)CC3)oc21 ZINC000181620126 1430329361 /nfs/dbraw/zinc/32/93/61/1430329361.db2.gz MOOJDPWWMZLGPE-QGZVFWFLSA-N 0 1 393.487 3.441 20 0 GGADMN C[C@H](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccnc1 ZINC000181627811 1430330672 /nfs/dbraw/zinc/33/06/72/1430330672.db2.gz LVYKPUMOOXNBPB-INIZCTEOSA-N 0 1 381.476 3.089 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000181630407 1430330922 /nfs/dbraw/zinc/33/09/22/1430330922.db2.gz NXUGKFZHIAOAGY-AWEZNQCLSA-N 0 1 387.430 3.059 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000181631402 1430331288 /nfs/dbraw/zinc/33/12/88/1430331288.db2.gz AJCMIKYHGJKPHX-AWEZNQCLSA-N 0 1 396.417 3.090 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2nc(-c3ccco3)no2)CC1 ZINC000181633170 1430331667 /nfs/dbraw/zinc/33/16/67/1430331667.db2.gz BZYBCKPQMMNRKY-HNNXBMFYSA-N 0 1 399.470 3.461 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2noc(C(C)C)n2)CC1 ZINC000181634227 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CCOC(=O)c1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000182231387 1430433886 /nfs/dbraw/zinc/43/38/86/1430433886.db2.gz LEZCFPCWKCJKKY-UHFFFAOYSA-N 0 1 375.812 3.492 20 0 GGADMN CCc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)n[nH]1 ZINC000182262496 1430439431 /nfs/dbraw/zinc/43/94/31/1430439431.db2.gz RYKYTQMZJITGIK-UHFFFAOYSA-N 0 1 399.476 3.037 20 0 GGADMN Cc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1-c1nnnn1C1CC1 ZINC000182265866 1430439607 /nfs/dbraw/zinc/43/96/07/1430439607.db2.gz MSMNVAQFIOAPHI-UHFFFAOYSA-N 0 1 377.383 3.251 20 0 GGADMN CCOC(=O)[C@H](CC(C)C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000182276777 1430441589 /nfs/dbraw/zinc/44/15/89/1430441589.db2.gz MVVOUMAQQRMWBN-INIZCTEOSA-N 0 1 381.904 3.363 20 0 GGADMN CN1CCN(c2ncccc2CNc2nnc(Cc3ccc(F)cc3)s2)CC1 ZINC000182279590 1430441794 /nfs/dbraw/zinc/44/17/94/1430441794.db2.gz MLOIPONKNXZADY-UHFFFAOYSA-N 0 1 398.511 3.027 20 0 GGADMN Cc1ncc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000182279529 1430441823 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Cn1ncc2c1ncc(C(=O)Nc1ccc3nc(-c4ccccn4)oc3c1)c2O ZINC000182355055 1430452658 /nfs/dbraw/zinc/45/26/58/1430452658.db2.gz MKGALVXAHKJAEK-UHFFFAOYSA-N 0 1 386.371 3.129 20 0 GGADMN CC[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000182378535 1430455719 /nfs/dbraw/zinc/45/57/19/1430455719.db2.gz RWMWYMWJFZISRI-OCCSQVGLSA-N 0 1 389.809 3.382 20 0 GGADMN O=C1[C@H](N2CCN(CCCOCc3ccccc3)CC2)CCN1c1ccccc1 ZINC000182384093 1430456889 /nfs/dbraw/zinc/45/68/89/1430456889.db2.gz OTWCMBWPUAAUTD-HSZRJFAPSA-N 0 1 393.531 3.016 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000182395559 1430459122 /nfs/dbraw/zinc/45/91/22/1430459122.db2.gz OHAOJPQWJVZZGV-INIZCTEOSA-N 0 1 389.584 3.353 20 0 GGADMN CCc1cc2c(CN[C@@H](CCO)c3ccc(OC)cc3)cc(=O)oc2cc1O ZINC000182395149 1430459244 /nfs/dbraw/zinc/45/92/44/1430459244.db2.gz PDTHIDZNUNISPG-IBGZPJMESA-N 0 1 383.444 3.283 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000182396857 1430459618 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GGADMN CC[C@H](C)Oc1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)ccn1 ZINC000182413531 1430463335 /nfs/dbraw/zinc/46/33/35/1430463335.db2.gz GGANVIZGJIMHBH-FUHWJXTLSA-N 0 1 386.496 3.488 20 0 GGADMN CC[C@H](C)Oc1cc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)ccn1 ZINC000182413045 1430463406 /nfs/dbraw/zinc/46/34/06/1430463406.db2.gz JFHRRPCQCFJMNI-HOCLYGCPSA-N 0 1 376.526 3.423 20 0 GGADMN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N[C@@H](C)c3nnc[nH]3)c2)c1 ZINC000182418517 1430464364 /nfs/dbraw/zinc/46/43/64/1430464364.db2.gz ZJYCUMMMEAZYEG-AWEZNQCLSA-N 0 1 393.451 3.318 20 0 GGADMN O=S(=O)(Nc1ccc(-c2ncco2)cc1)c1ccc(OCC(F)(F)F)nc1 ZINC000182419096 1430464380 /nfs/dbraw/zinc/46/43/80/1430464380.db2.gz ZCUCNEIIHPAHBS-UHFFFAOYSA-N 0 1 399.350 3.479 20 0 GGADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCN(C)CC1 ZINC000182439232 1430468081 /nfs/dbraw/zinc/46/80/81/1430468081.db2.gz CRBQJKZBKZBPID-INIZCTEOSA-N 0 1 389.584 3.353 20 0 GGADMN CC[C@](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)(C(N)=O)C(C)C ZINC000182441874 1430468432 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CCCOc1ccc(CNC(=O)CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000182537636 1430486216 /nfs/dbraw/zinc/48/62/16/1430486216.db2.gz PSUIVHOGGMMPBH-INIZCTEOSA-N 0 1 383.492 3.401 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000182548094 1430488646 /nfs/dbraw/zinc/48/86/46/1430488646.db2.gz PVTGLVYGYWVTOD-OAHLLOKOSA-N 0 1 394.475 3.061 20 0 GGADMN COc1ccc(CN(C(=O)CN[C@H](C)c2cccc(NC(C)=O)c2)C2CC2)cc1 ZINC000182548582 1430488923 /nfs/dbraw/zinc/48/89/23/1430488923.db2.gz PVBALYPYUCIGBB-MRXNPFEDSA-N 0 1 395.503 3.495 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000182552872 1430490262 /nfs/dbraw/zinc/49/02/62/1430490262.db2.gz FPAFPLUEAHOEHT-ZDUSSCGKSA-N 0 1 397.397 3.480 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000182554692 1430490907 /nfs/dbraw/zinc/49/09/07/1430490907.db2.gz AKXFOFYWJOEIOS-VFNWGFHPSA-N 0 1 399.466 3.035 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000182556306 1430491326 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GGADMN N#CC(C(=O)CNC(=O)Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000182563828 1430493303 /nfs/dbraw/zinc/49/33/03/1430493303.db2.gz PHVDFWOAVOBZKM-SFHVURJKSA-N 0 1 382.423 3.251 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566993 1430493723 /nfs/dbraw/zinc/49/37/23/1430493723.db2.gz VSJKYGYHKZQGLY-WWMYMODYSA-N 0 1 395.503 3.273 20 0 GGADMN CCN(CC)C(=O)CCC1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000182572506 1430495126 /nfs/dbraw/zinc/49/51/26/1430495126.db2.gz RRRUJMLIBFQWJH-KRWDZBQOSA-N 0 1 391.531 3.191 20 0 GGADMN CN(CCNC(=O)NCc1cn(C)nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000182575245 1430495992 /nfs/dbraw/zinc/49/59/92/1430495992.db2.gz LQYJYLGPZGZUGY-UHFFFAOYSA-N 0 1 395.482 3.157 20 0 GGADMN CCN(CC)C(=O)CCC1CCN([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000182577435 1430496364 /nfs/dbraw/zinc/49/63/64/1430496364.db2.gz UEXBRXJOGMMVHO-GOSISDBHSA-N 0 1 385.552 3.325 20 0 GGADMN CCN(CC)C(=O)CCC1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000182577416 1430496600 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CC(C)(NCC(=O)NNC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000182626096 1430504953 /nfs/dbraw/zinc/50/49/53/1430504953.db2.gz IKWMPXCOUBEJHD-UHFFFAOYSA-N 0 1 380.275 3.279 20 0 GGADMN COCCOc1cccc(CNC(=O)CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000182630155 1430505640 /nfs/dbraw/zinc/50/56/40/1430505640.db2.gz YWHPIFSLSAUUPT-MRXNPFEDSA-N 0 1 382.460 3.425 20 0 GGADMN COc1cccc2c1CCN(C(=O)NC1CCN([C@H](C)c3ccncc3)CC1)C2 ZINC000182638480 1430507238 /nfs/dbraw/zinc/50/72/38/1430507238.db2.gz ATTMTTSODFVUDI-QGZVFWFLSA-N 0 1 394.519 3.384 20 0 GGADMN COc1cccc2c1CCN(C(=O)NC1CCN([C@@H](C)c3ccncc3)CC1)C2 ZINC000182638463 1430507287 /nfs/dbraw/zinc/50/72/87/1430507287.db2.gz ATTMTTSODFVUDI-KRWDZBQOSA-N 0 1 394.519 3.384 20 0 GGADMN Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182643778 1430508549 /nfs/dbraw/zinc/50/85/49/1430508549.db2.gz IMJZXNQZHWIJBY-LBPRGKRZSA-N 0 1 394.410 3.145 20 0 GGADMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000182646568 1430509310 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GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000182719418 1430526131 /nfs/dbraw/zinc/52/61/31/1430526131.db2.gz JZGAMAIBSUVEFV-PMACEKPBSA-N 0 1 383.492 3.070 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)c2c(C)[nH]c3ccc(Cl)cc32)[nH]c1C ZINC000182721346 1430526779 /nfs/dbraw/zinc/52/67/79/1430526779.db2.gz OHFGPGOKOUYLTC-UHFFFAOYSA-N 0 1 387.827 3.162 20 0 GGADMN C[C@H]1CCc2c(sc3nc(CN4CCCC[C@@H]4c4nnc[nH]4)nc(N)c23)C1 ZINC000182732113 1430528996 /nfs/dbraw/zinc/52/89/96/1430528996.db2.gz KYIQLDZHMDATGB-WCQYABFASA-N 0 1 383.525 3.244 20 0 GGADMN Cn1nnc2cc(C(=O)Nc3ccc4nc(-c5cccc(F)c5)[nH]c4c3)cnc21 ZINC000182733065 1430529609 /nfs/dbraw/zinc/52/96/09/1430529609.db2.gz GCMBGYKVRPTWKR-UHFFFAOYSA-N 0 1 387.378 3.298 20 0 GGADMN O=C(CO)NNC(=O)c1oc2ccccc2c1CSc1ccccc1Cl ZINC000182744743 1430531536 /nfs/dbraw/zinc/53/15/36/1430531536.db2.gz QEJQUXOROXZAOI-UHFFFAOYSA-N 0 1 390.848 3.132 20 0 GGADMN C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)[C@H](C)CO1 ZINC000182743003 1430531574 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Cc1cc([C@H](C)NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)s1 ZINC000182765201 1430536046 /nfs/dbraw/zinc/53/60/46/1430536046.db2.gz CFTPVKWFEUKFOF-KBPBESRZSA-N 0 1 391.512 3.148 20 0 GGADMN Cn1nnc2cc(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)cnc21 ZINC000182776519 1430537963 /nfs/dbraw/zinc/53/79/63/1430537963.db2.gz NFQAGZYYBFTZQV-UHFFFAOYSA-N 0 1 387.378 3.298 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c(C)o1 ZINC000182780987 1430539153 /nfs/dbraw/zinc/53/91/53/1430539153.db2.gz ZAKGJQDULOMLEE-UHFFFAOYSA-N 0 1 390.383 3.298 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCCCCCO)CC1 ZINC000182784209 1430539362 /nfs/dbraw/zinc/53/93/62/1430539362.db2.gz XQAAVCZQISNGDH-UHFFFAOYSA-N 0 1 382.936 3.156 20 0 GGADMN Nc1nc(Cl)cc(NNC(=O)C2(c3ccc(Br)cc3)CCC2)n1 ZINC000182784941 1430539401 /nfs/dbraw/zinc/53/94/01/1430539401.db2.gz YAAZDJPDWNDZEM-UHFFFAOYSA-N 0 1 396.676 3.040 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c(C)o1 ZINC000182786715 1430539730 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CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCO1 ZINC000183226789 1430653403 /nfs/dbraw/zinc/65/34/03/1430653403.db2.gz IFFHEEHKPZNMTM-FGZHOGPDSA-N 0 1 387.568 3.148 20 0 GGADMN CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)CCO1 ZINC000183226774 1430653444 /nfs/dbraw/zinc/65/34/44/1430653444.db2.gz IFFHEEHKPZNMTM-YADHBBJMSA-N 0 1 387.568 3.148 20 0 GGADMN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000183233397 1430654702 /nfs/dbraw/zinc/65/47/02/1430654702.db2.gz RQVFDCQUYFFDRD-IBGZPJMESA-N 0 1 377.554 3.033 20 0 GGADMN CCC[C@H]1C[C@H](C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000183232739 1430654777 /nfs/dbraw/zinc/65/47/77/1430654777.db2.gz HQGZXCMAHYXPHD-IRLDBZIGSA-N 0 1 387.568 3.219 20 0 GGADMN CO[C@@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000183235636 1430655798 /nfs/dbraw/zinc/65/57/98/1430655798.db2.gz PQDHKULUBQDFGT-KGVIQGDOSA-N 0 1 382.504 3.300 20 0 GGADMN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000183238551 1430656359 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1430681220 /nfs/dbraw/zinc/68/12/20/1430681220.db2.gz LQIQGOSTZDKHDT-ZFWWWQNUSA-N 0 1 380.496 3.209 20 0 GGADMN CN1CCN(c2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cn3)cn2)CC1 ZINC000183335113 1430681500 /nfs/dbraw/zinc/68/15/00/1430681500.db2.gz FPQZWCDHYMWFCG-QHCPKHFHSA-N 0 1 391.494 3.247 20 0 GGADMN CN1CCN(c2ccc(CN[C@H](c3ccccc3)c3ccc(F)cn3)cn2)CC1 ZINC000183335132 1430681553 /nfs/dbraw/zinc/68/15/53/1430681553.db2.gz FPQZWCDHYMWFCG-HSZRJFAPSA-N 0 1 391.494 3.247 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000183336982 1430682143 /nfs/dbraw/zinc/68/21/43/1430682143.db2.gz MSSBLOYRTOJKOK-YWZLYKJASA-N 0 1 390.503 3.148 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1 ZINC000183343193 1430683367 /nfs/dbraw/zinc/68/33/67/1430683367.db2.gz ROJYLDXRIZIUSB-UHFFFAOYSA-N 0 1 376.844 3.195 20 0 GGADMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccc(N2CCCC2=O)c1 ZINC000183353337 1430685748 /nfs/dbraw/zinc/68/57/48/1430685748.db2.gz UEYZRGWSWDMVCO-HSZRJFAPSA-N 0 1 393.531 3.285 20 0 GGADMN Cc1c([C@H](C)NCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C ZINC000183361460 1430689319 /nfs/dbraw/zinc/68/93/19/1430689319.db2.gz JYBWVCPXRLDPBM-NEPJUHHUSA-N 0 1 384.402 3.155 20 0 GGADMN Cc1c([C@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C ZINC000183361426 1430689402 /nfs/dbraw/zinc/68/94/02/1430689402.db2.gz JYBWVCPXRLDPBM-RYUDHWBXSA-N 0 1 384.402 3.155 20 0 GGADMN CN1CCN(c2cc(CN[C@H](c3ccccc3)c3ccc(F)cn3)ccn2)CC1 ZINC000183363896 1430690295 /nfs/dbraw/zinc/69/02/95/1430690295.db2.gz FDPRBUCQKNTXBD-HSZRJFAPSA-N 0 1 391.494 3.247 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000183369637 1430692640 /nfs/dbraw/zinc/69/26/40/1430692640.db2.gz MBZOTHGZRFOSEG-QGZVFWFLSA-N 0 1 394.475 3.287 20 0 GGADMN Cc1c([C@H](C)NCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cnn1C ZINC000183371855 1430693017 /nfs/dbraw/zinc/69/30/17/1430693017.db2.gz YJKUKWZUPGIPFV-ZDUSSCGKSA-N 0 1 397.504 3.332 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)NCc2cccc(COCc3ccco3)c2)cnn1C ZINC000183386218 1430697780 /nfs/dbraw/zinc/69/77/80/1430697780.db2.gz IQEPFBBTDJZLPM-MRXNPFEDSA-N 0 1 396.491 3.005 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)/C=C/c3cccc(O)c3)cc2)C[C@@H](C)O1 ZINC000183390859 1430698583 /nfs/dbraw/zinc/69/85/83/1430698583.db2.gz YHJSZXWXFUKVDL-NDZBKKTDSA-N 0 1 380.488 3.331 20 0 GGADMN CNc1nnc(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)s1 ZINC000183390033 1430698597 /nfs/dbraw/zinc/69/85/97/1430698597.db2.gz AEDXIJJNLSVTFP-UHFFFAOYSA-N 0 1 382.424 3.443 20 0 GGADMN COc1ccc([C@@H](CNCc2ncc(C(C)C)s2)N2CCOCC2)cc1 ZINC000183390607 1430698611 /nfs/dbraw/zinc/69/86/11/1430698611.db2.gz JKGOINJCWOYYPK-GOSISDBHSA-N 0 1 375.538 3.438 20 0 GGADMN Cc1c([C@H](C)NCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cnn1C ZINC000183398487 1430701197 /nfs/dbraw/zinc/70/11/97/1430701197.db2.gz FEWUQUSVQYTJLS-RNODOKPDSA-N 0 1 386.496 3.486 20 0 GGADMN C[C@H](CN(C)C(=O)c1ccccc1OCc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000183398296 1430701364 /nfs/dbraw/zinc/70/13/64/1430701364.db2.gz ABPARIOQPAVEMU-CYBMUJFWSA-N 0 1 385.855 3.308 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccnc(O[C@H]4CCOC4)c3)[nH]c2c1 ZINC000183419489 1430706801 /nfs/dbraw/zinc/70/68/01/1430706801.db2.gz NKMBYBKCJXSHJY-LPHOPBHVSA-N 0 1 392.459 3.411 20 0 GGADMN C[C@H](CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1nn[nH]n1 ZINC000183426169 1430708590 /nfs/dbraw/zinc/70/85/90/1430708590.db2.gz IKSFBTOCKJHYHF-CQSZACIVSA-N 0 1 388.431 3.397 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cnn1C ZINC000183437080 1430711887 /nfs/dbraw/zinc/71/18/87/1430711887.db2.gz BOJVTSQAVJRURG-CQSZACIVSA-N 0 1 384.480 3.449 20 0 GGADMN CCn1cc(C(=O)NCCN2CCC(C)CC2)c(=O)c2cc(Cl)ccc21 ZINC000183475361 1430721389 /nfs/dbraw/zinc/72/13/89/1430721389.db2.gz SHYVEYRUMMEINY-UHFFFAOYSA-N 0 1 375.900 3.137 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000183483786 1430723938 /nfs/dbraw/zinc/72/39/38/1430723938.db2.gz WWBFYZIWYSNHDR-LZLYRXPVSA-N 0 1 395.475 3.458 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)nn1-c1ccc(F)cc1 ZINC000183493340 1430726997 /nfs/dbraw/zinc/72/69/97/1430726997.db2.gz BCRWBFDUOOWYGU-FQEVSTJZSA-N 0 1 384.430 3.492 20 0 GGADMN CC(C)c1cnc(CNCCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000183498686 1430728583 /nfs/dbraw/zinc/72/85/83/1430728583.db2.gz QLEZUGSTBFTLHN-UHFFFAOYSA-N 0 1 390.528 3.234 20 0 GGADMN COc1cc(F)c([C@@H](C)NC[C@@H](O)COc2cccc3[nH]ccc32)cc1OC ZINC000183506277 1430730633 /nfs/dbraw/zinc/73/06/33/1430730633.db2.gz GVQKIJVTCFXGKI-ZIAGYGMSSA-N 0 1 388.439 3.415 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1ccon1 ZINC000183518032 1430733452 /nfs/dbraw/zinc/73/34/52/1430733452.db2.gz IISUBNGZSDQCOF-UHFFFAOYSA-N 0 1 391.475 3.319 20 0 GGADMN Cc1nn(CN2CCC(CCCN3CCOCC3)CC2)c(C)c1Br ZINC000183523892 1430734629 /nfs/dbraw/zinc/73/46/29/1430734629.db2.gz ZNVHYVJGSGPHSP-UHFFFAOYSA-N 0 1 399.377 3.044 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000183532307 1430736308 /nfs/dbraw/zinc/73/63/08/1430736308.db2.gz IRWAFKVIGAWWRY-UGSOOPFHSA-N 0 1 393.553 3.073 20 0 GGADMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000183538429 1430737454 /nfs/dbraw/zinc/73/74/54/1430737454.db2.gz HBODMKWYJRILEM-CYBMUJFWSA-N 0 1 391.427 3.256 20 0 GGADMN CNc1nnc(CC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)s1 ZINC000183537884 1430737716 /nfs/dbraw/zinc/73/77/16/1430737716.db2.gz ACUBVPAVUPWYOQ-UHFFFAOYSA-N 0 1 396.451 3.367 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000183548105 1430740015 /nfs/dbraw/zinc/74/00/15/1430740015.db2.gz IKQUAKPRIYVREB-AUUYWEPGSA-N 0 1 397.393 3.339 20 0 GGADMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000183548661 1430740268 /nfs/dbraw/zinc/74/02/68/1430740268.db2.gz LZMCAACOJXZBPK-QGZVFWFLSA-N 0 1 399.535 3.497 20 0 GGADMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000183559850 1430742060 /nfs/dbraw/zinc/74/20/60/1430742060.db2.gz LLUYLDJKCGLRNE-QGZVFWFLSA-N 0 1 397.519 3.253 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1CCCOCC1 ZINC000183568560 1430743795 /nfs/dbraw/zinc/74/37/95/1430743795.db2.gz PAXOQMGKIZEACD-GOSISDBHSA-N 0 1 379.932 3.420 20 0 GGADMN C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(-n2cccn2)c1 ZINC000183572235 1430744261 /nfs/dbraw/zinc/74/42/61/1430744261.db2.gz HDVIMJKTUBUHKD-CQSZACIVSA-N 0 1 379.851 3.384 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000183576479 1430745007 /nfs/dbraw/zinc/74/50/07/1430745007.db2.gz QVXSVAFBKBAAOB-INIZCTEOSA-N 0 1 385.489 3.005 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000183594177 1430749863 /nfs/dbraw/zinc/74/98/63/1430749863.db2.gz LYQAJYACRXMBMA-DENIHFKCSA-N 0 1 398.478 3.017 20 0 GGADMN CN(C)c1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc2n1 ZINC000183606738 1430753230 /nfs/dbraw/zinc/75/32/30/1430753230.db2.gz MFFOFBVSSJYTMD-HNNXBMFYSA-N 0 1 390.491 3.316 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(Br)n2)N(C)C)c1 ZINC000183607743 1430753373 /nfs/dbraw/zinc/75/33/73/1430753373.db2.gz IPIJCLKNIUYOGD-CQSZACIVSA-N 0 1 393.285 3.277 20 0 GGADMN CC[C@H]1C[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCO1 ZINC000183616275 1430755294 /nfs/dbraw/zinc/75/52/94/1430755294.db2.gz MUYNFGRPTUPWJR-SCTDSRPQSA-N 0 1 391.531 3.350 20 0 GGADMN COCc1cccc(NC(=O)NNC(=O)c2ccc(Br)s2)c1 ZINC000183622521 1430756514 /nfs/dbraw/zinc/75/65/14/1430756514.db2.gz RAUAOCXBFKBTAX-UHFFFAOYSA-N 0 1 384.255 3.124 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](CC3CCC3)c3ccccc3)C2)CC1 ZINC000183633054 1430759524 /nfs/dbraw/zinc/75/95/24/1430759524.db2.gz QTOTWTSVKWDBEN-FGZHOGPDSA-N 0 1 384.568 3.339 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NC3Cc4ccccc4C3)c2C1 ZINC000183646913 1430762920 /nfs/dbraw/zinc/76/29/20/1430762920.db2.gz DPGOXWLBSDASHL-INIZCTEOSA-N 0 1 391.515 3.269 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000183646584 1430763122 /nfs/dbraw/zinc/76/31/22/1430763122.db2.gz TXJLUQWJMNHIRR-WFASDCNBSA-N 0 1 397.397 3.237 20 0 GGADMN Cc1cc(C)n(-c2cccc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2)n1 ZINC000183647988 1430763596 /nfs/dbraw/zinc/76/35/96/1430763596.db2.gz XHUZKJBHVGIFLO-HNNXBMFYSA-N 0 1 382.386 3.131 20 0 GGADMN CN1CCN(c2ccc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 ZINC000183650873 1430764055 /nfs/dbraw/zinc/76/40/55/1430764055.db2.gz NPVBBHPCBUHTPE-QGZVFWFLSA-N 0 1 389.544 3.035 20 0 GGADMN CCOc1cc2c(cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)O[C@@H](C)C2 ZINC000183653896 1430764538 /nfs/dbraw/zinc/76/45/38/1430764538.db2.gz HEZSETVMCOAFSM-BONVTDFDSA-N 0 1 388.386 3.050 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000183665793 1430766945 /nfs/dbraw/zinc/76/69/45/1430766945.db2.gz QJMYIQIDWKQGBT-CJNGLKHVSA-N 0 1 385.430 3.167 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN[C@@H](c2ccccc2Cl)C(C)C)CC1 ZINC000183696206 1430775452 /nfs/dbraw/zinc/77/54/52/1430775452.db2.gz YYDSGWAZGINRKM-LJQANCHMSA-N 0 1 380.916 3.428 20 0 GGADMN Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000183700034 1430776280 /nfs/dbraw/zinc/77/62/80/1430776280.db2.gz OOIJRKZHOBNOFR-UHFFFAOYSA-N 0 1 390.491 3.362 20 0 GGADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000183700912 1430776569 /nfs/dbraw/zinc/77/65/69/1430776569.db2.gz GACTVHPYGLSZDO-MRXNPFEDSA-N 0 1 396.553 3.071 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)CN[C@H](c2ccccc2Cl)C(C)C)CC1 ZINC000183703715 1430777585 /nfs/dbraw/zinc/77/75/85/1430777585.db2.gz ZZPLHAHNJAKDJQ-IBGZPJMESA-N 0 1 395.931 3.364 20 0 GGADMN COCCOc1cc(C)ccc1CN[C@@H](CN1CCOCC1)c1ccccc1C ZINC000183709416 1430778685 /nfs/dbraw/zinc/77/86/85/1430778685.db2.gz KWYZGACJZFCJJX-QHCPKHFHSA-N 0 1 398.547 3.492 20 0 GGADMN Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000183717648 1430779943 /nfs/dbraw/zinc/77/99/43/1430779943.db2.gz QBUPSWYNFSNMKU-AWEZNQCLSA-N 0 1 399.438 3.438 20 0 GGADMN CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1nc2ccccc2[nH]1 ZINC000183717991 1430780247 /nfs/dbraw/zinc/78/02/47/1430780247.db2.gz HUKAHBGQGRNLGO-CABCVRRESA-N 0 1 398.429 3.469 20 0 GGADMN COc1ccc(-c2noc(CN[C@H](CCO)C3CCCCC3)n2)c(OC)c1 ZINC000183720662 1430780593 /nfs/dbraw/zinc/78/05/93/1430780593.db2.gz GFZNILXMNZGLHZ-QGZVFWFLSA-N 0 1 375.469 3.175 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000183725461 1430781398 /nfs/dbraw/zinc/78/13/98/1430781398.db2.gz ULIJFKHXERGPMY-AWEZNQCLSA-N 0 1 389.805 3.183 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000183725263 1430781553 /nfs/dbraw/zinc/78/15/53/1430781553.db2.gz FJYKEGVSIUVDNR-CQSZACIVSA-N 0 1 383.521 3.161 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000183725282 1430781610 /nfs/dbraw/zinc/78/16/10/1430781610.db2.gz FJYKEGVSIUVDNR-AWEZNQCLSA-N 0 1 383.521 3.161 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC000183729271 1430782285 /nfs/dbraw/zinc/78/22/85/1430782285.db2.gz NIWKFJIJQXFEBV-HZMBPMFUSA-N 0 1 387.427 3.047 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccccc4-n4ccnn4)C3)[nH]c2c1 ZINC000183728982 1430782329 /nfs/dbraw/zinc/78/23/29/1430782329.db2.gz QBKLBISLDWLQPM-MRXNPFEDSA-N 0 1 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390.524 3.128 20 0 GGADMN CC1([C@@H]2CCCN(CC(=O)Nc3ccc(SC(F)F)cc3)C2)OCCO1 ZINC000183909270 1430811886 /nfs/dbraw/zinc/81/18/86/1430811886.db2.gz QKMWUQHQDQCQLC-CYBMUJFWSA-N 0 1 386.464 3.415 20 0 GGADMN Cc1sc(CCNCc2cn(Cc3cccnc3)nn2)nc1-c1ccccc1 ZINC000183913870 1430812449 /nfs/dbraw/zinc/81/24/49/1430812449.db2.gz NYVDVBRGAICTKG-UHFFFAOYSA-N 0 1 390.516 3.486 20 0 GGADMN CC1([C@@H]2CCCN([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C2)OCCO1 ZINC000183913154 1430812556 /nfs/dbraw/zinc/81/25/56/1430812556.db2.gz AYJJWYDUGYJLRC-CXAGYDPISA-N 0 1 382.863 3.059 20 0 GGADMN Cc1ccccc1C(N[C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccccc1C ZINC000183927067 1430814156 /nfs/dbraw/zinc/81/41/56/1430814156.db2.gz YTVLIITXJWRLGD-SFHVURJKSA-N 0 1 393.531 3.095 20 0 GGADMN C[C@H](CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1nccs1 ZINC000183932920 1430815026 /nfs/dbraw/zinc/81/50/26/1430815026.db2.gz RLPJMENXAXPMNH-ILXRZTDVSA-N 0 1 389.521 3.216 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCN1Cc1ccccc1 ZINC000183951982 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O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000184057016 1430835491 /nfs/dbraw/zinc/83/54/91/1430835491.db2.gz KYGQCWGFSZSHSP-KRWDZBQOSA-N 0 1 376.416 3.220 20 0 GGADMN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184067564 1430836949 /nfs/dbraw/zinc/83/69/49/1430836949.db2.gz SZMUTWSQDJXUKZ-UHFFFAOYSA-N 0 1 389.459 3.028 20 0 GGADMN CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccc(C)c1C ZINC000184083166 1430838978 /nfs/dbraw/zinc/83/89/78/1430838978.db2.gz WSUSKZMAPQOGCU-SFHVURJKSA-N 0 1 378.432 3.123 20 0 GGADMN CCOC(=O)[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccc(C)c1C ZINC000184083147 1430838992 /nfs/dbraw/zinc/83/89/92/1430838992.db2.gz WSUSKZMAPQOGCU-GOSISDBHSA-N 0 1 378.432 3.123 20 0 GGADMN COC(=O)c1sc2ccccc2c1CN1CCOCC2(CCOCC2)C1 ZINC000184100428 1430841267 /nfs/dbraw/zinc/84/12/67/1430841267.db2.gz KXMFEKVYIFAZKD-UHFFFAOYSA-N 0 1 375.490 3.317 20 0 GGADMN CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000184103962 1430841697 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20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NCCN(C)Cc2ccc(F)cc2)C1 ZINC000184127208 1430845027 /nfs/dbraw/zinc/84/50/27/1430845027.db2.gz RHBCCHIIPJXMRO-GOSISDBHSA-N 0 1 393.503 3.021 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(Cl)c(F)c1 ZINC000184131345 1430845491 /nfs/dbraw/zinc/84/54/91/1430845491.db2.gz AEKOMLICLJWOHD-UHFFFAOYSA-N 0 1 375.791 3.498 20 0 GGADMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184142182 1430846834 /nfs/dbraw/zinc/84/68/34/1430846834.db2.gz MXMDMLNVLZLSKZ-UKTHLTGXSA-N 0 1 379.913 3.099 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)N1CCCCC1 ZINC000184155780 1430848263 /nfs/dbraw/zinc/84/82/63/1430848263.db2.gz YPAMLMMHFCJMMX-FQEVSTJZSA-N 0 1 395.503 3.218 20 0 GGADMN Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000184158681 1430848526 /nfs/dbraw/zinc/84/85/26/1430848526.db2.gz WDMKRQFEDPMJSS-CALCHBBNSA-N 0 1 398.551 3.486 20 0 GGADMN Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000184158702 1430848560 /nfs/dbraw/zinc/84/85/60/1430848560.db2.gz WDMKRQFEDPMJSS-IAGOWNOFSA-N 0 1 398.551 3.486 20 0 GGADMN C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1scnc1C1CCCC1 ZINC000184168466 1430850072 /nfs/dbraw/zinc/85/00/72/1430850072.db2.gz JWQLGYVWQIUYHN-NSHDSACASA-N 0 1 377.441 3.168 20 0 GGADMN COc1ccccc1S(=O)(=O)CCCN1CCN(CC2CCCCC2)CC1 ZINC000184191740 1430854002 /nfs/dbraw/zinc/85/40/02/1430854002.db2.gz OOVVRUYQZGITRL-UHFFFAOYSA-N 0 1 394.581 3.057 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184196710 1430854799 /nfs/dbraw/zinc/85/47/99/1430854799.db2.gz RFPHJTKPOFLQBS-UHFFFAOYSA-N 0 1 377.448 3.271 20 0 GGADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184200130 1430855407 /nfs/dbraw/zinc/85/54/07/1430855407.db2.gz BKQGCRZJISYRQX-UHFFFAOYSA-N 0 1 381.411 3.100 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000184202885 1430855592 /nfs/dbraw/zinc/85/55/92/1430855592.db2.gz YXNAVKHGJUOKQI-HXUWFJFHSA-N 0 1 382.460 3.232 20 0 GGADMN 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CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000184291398 1430868992 /nfs/dbraw/zinc/86/89/92/1430868992.db2.gz YZSIOWLAZXVOGR-UHFFFAOYSA-N 0 1 385.505 3.005 20 0 GGADMN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000184294000 1430869461 /nfs/dbraw/zinc/86/94/61/1430869461.db2.gz XVMXOIAZMKAMQO-MRXNPFEDSA-N 0 1 397.516 3.005 20 0 GGADMN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000184294020 1430869568 /nfs/dbraw/zinc/86/95/68/1430869568.db2.gz XVMXOIAZMKAMQO-INIZCTEOSA-N 0 1 397.516 3.005 20 0 GGADMN C[S@@](=O)Cc1ccccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000184297506 1430870008 /nfs/dbraw/zinc/87/00/08/1430870008.db2.gz QBXNYHFCTVSNIM-UZTOHYMASA-N 0 1 385.533 3.351 20 0 GGADMN C[S@@](=O)Cc1ccccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000184297545 1430870043 /nfs/dbraw/zinc/87/00/43/1430870043.db2.gz QBXNYHFCTVSNIM-XHCCPWGMSA-N 0 1 385.533 3.351 20 0 GGADMN Cn1nc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1OC(F)F ZINC000184314929 1430872224 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Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184327053 1430873498 /nfs/dbraw/zinc/87/34/98/1430873498.db2.gz OTVGNBJFLAFQJA-UHFFFAOYSA-N 0 1 383.517 3.362 20 0 GGADMN COc1ccccc1S(=O)(=O)CCCN(Cc1ccccc1)CC(C)(C)O ZINC000184328413 1430873691 /nfs/dbraw/zinc/87/36/91/1430873691.db2.gz XOCOIQJMCDPNAS-UHFFFAOYSA-N 0 1 391.533 3.132 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000184342247 1430875269 /nfs/dbraw/zinc/87/52/69/1430875269.db2.gz VUDAERIDZIRONX-UHFFFAOYSA-N 0 1 379.395 3.044 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1nc2ccccn2n1)N1CCCCC1 ZINC000184345555 1430875825 /nfs/dbraw/zinc/87/58/25/1430875825.db2.gz ABPNYGUKPKMQBK-KRWDZBQOSA-N 0 1 394.479 3.087 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c[nH]nc2C2CC2)CC1 ZINC000184349023 1430876293 /nfs/dbraw/zinc/87/62/93/1430876293.db2.gz CVUPUYLVDBWCST-AWEZNQCLSA-N 0 1 385.487 3.059 20 0 GGADMN CC[C@@H](NC[C@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000184348397 1430876355 /nfs/dbraw/zinc/87/63/55/1430876355.db2.gz USKKYLPNCQIHTC-JKSUJKDBSA-N 0 1 378.494 3.143 20 0 GGADMN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000184360985 1430877998 /nfs/dbraw/zinc/87/79/98/1430877998.db2.gz OUJYWQVEMJLABY-GOSISDBHSA-N 0 1 396.539 3.443 20 0 GGADMN O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000184375751 1430880313 /nfs/dbraw/zinc/88/03/13/1430880313.db2.gz KRWZSGLWPVPCQY-LBPRGKRZSA-N 0 1 389.830 3.127 20 0 GGADMN C[C@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1nccs1 ZINC000184393968 1430882271 /nfs/dbraw/zinc/88/22/71/1430882271.db2.gz JDFGKEHAPGALCI-WMLDXEAASA-N 0 1 392.956 3.400 20 0 GGADMN CSc1c(F)cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1F ZINC000184403135 1430883795 /nfs/dbraw/zinc/88/37/95/1430883795.db2.gz KOEPPIQNHCYFGX-INIZCTEOSA-N 0 1 386.512 3.080 20 0 GGADMN CSc1c(F)cc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1F ZINC000184405017 1430883956 /nfs/dbraw/zinc/88/39/56/1430883956.db2.gz JABQOLYRLSBLCI-UHFFFAOYSA-N 0 1 385.480 3.263 20 0 GGADMN C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000184412524 1430884748 /nfs/dbraw/zinc/88/47/48/1430884748.db2.gz YRGKRWFZACDCAY-GOSISDBHSA-N 0 1 375.582 3.234 20 0 GGADMN Cc1c(-c2cc(CN3CCC(C(=O)Nc4ccccc4)CC3)on2)cnn1C ZINC000184410415 1430884804 /nfs/dbraw/zinc/88/48/04/1430884804.db2.gz VAQOTMJTEYDPMJ-UHFFFAOYSA-N 0 1 379.464 3.234 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)C2)CC1 ZINC000184437648 1430887745 /nfs/dbraw/zinc/88/77/45/1430887745.db2.gz ABHJYXIOXDDJTD-CQSZACIVSA-N 0 1 389.849 3.211 20 0 GGADMN Cc1cnc([C@@H](C)CNC(=O)NCC2(CN3CCOCC3)CCCCC2)s1 ZINC000184448421 1430889004 /nfs/dbraw/zinc/88/90/04/1430889004.db2.gz VOXOBGQPDFZRBH-INIZCTEOSA-N 0 1 394.585 3.137 20 0 GGADMN C[C@@H](NC[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184453132 1430889774 /nfs/dbraw/zinc/88/97/74/1430889774.db2.gz UKQVHCWCEWRNQD-YJYMSZOUSA-N 0 1 396.578 3.402 20 0 GGADMN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184473690 1430891747 /nfs/dbraw/zinc/89/17/47/1430891747.db2.gz QVEKYAYCLKBRAA-KRWDZBQOSA-N 0 1 378.432 3.164 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184490180 1430893866 /nfs/dbraw/zinc/89/38/66/1430893866.db2.gz KGNJEJNAEQSFLF-CZUORRHYSA-N 0 1 391.537 3.490 20 0 GGADMN CCCN(CCc1cccs1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000184503817 1430896013 /nfs/dbraw/zinc/89/60/13/1430896013.db2.gz SJJJOTISWDTAGA-UHFFFAOYSA-N 0 1 387.505 3.457 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000184510692 1430896649 /nfs/dbraw/zinc/89/66/49/1430896649.db2.gz LWAQLBKKKMYSBA-INIZCTEOSA-N 0 1 398.381 3.217 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)NC(=O)NC1CC1 ZINC000184512200 1430896705 /nfs/dbraw/zinc/89/67/05/1430896705.db2.gz PCGRAYMEBYKHNK-SNVBAGLBSA-N 0 1 392.912 3.411 20 0 GGADMN CCN(Cc1cc(-c2cnn(C)c2C)no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000184509696 1430896778 /nfs/dbraw/zinc/89/67/78/1430896778.db2.gz WMNXOIWIJKLNFK-UHFFFAOYSA-N 0 1 381.480 3.107 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccccc2-n2nccc2C)CCN1CCOC ZINC000184540791 1430900749 /nfs/dbraw/zinc/90/07/49/1430900749.db2.gz CEWINBIWPKATJX-SFHVURJKSA-N 0 1 385.512 3.145 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccccc2-n2nccc2C)CCN1CCOC ZINC000184540774 1430900969 /nfs/dbraw/zinc/90/09/69/1430900969.db2.gz CEWINBIWPKATJX-GOSISDBHSA-N 0 1 385.512 3.145 20 0 GGADMN CCC(=O)c1cccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000184543493 1430901591 /nfs/dbraw/zinc/90/15/91/1430901591.db2.gz SKDXPZSQLDBHBO-UHFFFAOYSA-N 0 1 379.420 3.298 20 0 GGADMN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000184545843 1430902030 /nfs/dbraw/zinc/90/20/30/1430902030.db2.gz GCMBXHQXYNKOJA-AWEZNQCLSA-N 0 1 389.521 3.099 20 0 GGADMN CCOC(=O)CN(C)C(=O)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000184545859 1430902111 /nfs/dbraw/zinc/90/21/11/1430902111.db2.gz GCMBXHQXYNKOJA-CQSZACIVSA-N 0 1 389.521 3.099 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC(C)(CO)CC1)N1CCCCC1 ZINC000184557015 1430904129 /nfs/dbraw/zinc/90/41/29/1430904129.db2.gz RCTZJZRRDVBLAO-IBGZPJMESA-N 0 1 389.540 3.026 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000184578504 1430908642 /nfs/dbraw/zinc/90/86/42/1430908642.db2.gz WULMSTAEDLGUSR-INIZCTEOSA-N 0 1 394.585 3.469 20 0 GGADMN CCSc1cccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c1 ZINC000184593457 1430912735 /nfs/dbraw/zinc/91/27/35/1430912735.db2.gz HFOQOTKQNTUTJF-GOSISDBHSA-N 0 1 395.488 3.406 20 0 GGADMN Cc1c(-c2cc(CN3CCC[C@@H](CNC(=O)c4ccccc4)C3)on2)cnn1C ZINC000184600694 1430915507 /nfs/dbraw/zinc/91/55/07/1430915507.db2.gz BRFFLAOOEKJMJC-KRWDZBQOSA-N 0 1 393.491 3.026 20 0 GGADMN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184626941 1430923142 /nfs/dbraw/zinc/92/31/42/1430923142.db2.gz YUMWYLCYZSSAPY-UHFFFAOYSA-N 0 1 376.420 3.352 20 0 GGADMN Cc1ccc(C(=O)NC2CCN(Cc3cc(-c4cnn(C)c4C)no3)CC2)s1 ZINC000184640950 1430927702 /nfs/dbraw/zinc/92/77/02/1430927702.db2.gz RFINPINWNWZDHQ-UHFFFAOYSA-N 0 1 399.520 3.148 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000184642680 1430927937 /nfs/dbraw/zinc/92/79/37/1430927937.db2.gz USPLUODFQYTGNP-UHFFFAOYSA-N 0 1 389.419 3.096 20 0 GGADMN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184645127 1430928626 /nfs/dbraw/zinc/92/86/26/1430928626.db2.gz VCNJNKJOYCQTNI-UHFFFAOYSA-N 0 1 376.338 3.299 20 0 GGADMN COC(=O)COc1ccc(CN(C)C(=O)c2cn[nH]c2-c2ccccc2F)cc1 ZINC000184659383 1430932551 /nfs/dbraw/zinc/93/25/51/1430932551.db2.gz COMRDFGSJWVJMJ-UHFFFAOYSA-N 0 1 397.406 3.040 20 0 GGADMN CCN(CC(F)F)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000184663412 1430934611 /nfs/dbraw/zinc/93/46/11/1430934611.db2.gz DHRMTBDNEYQAHP-UHFFFAOYSA-N 0 1 398.431 3.223 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184670851 1430937591 /nfs/dbraw/zinc/93/75/91/1430937591.db2.gz CQRAFCAVCWVEDN-IUODEOHRSA-N 0 1 380.414 3.199 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184670901 1430938264 /nfs/dbraw/zinc/93/82/64/1430938264.db2.gz CQRAFCAVCWVEDN-WFASDCNBSA-N 0 1 380.414 3.199 20 0 GGADMN CCn1cc([C@@H](C)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cn1 ZINC000184671847 1430938324 /nfs/dbraw/zinc/93/83/24/1430938324.db2.gz FWJIMYZQLYNIJP-CZUORRHYSA-N 0 1 380.414 3.374 20 0 GGADMN CCn1cc([C@@H](C)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cn1 ZINC000184671878 1430938341 /nfs/dbraw/zinc/93/83/41/1430938341.db2.gz FWJIMYZQLYNIJP-CJNGLKHVSA-N 0 1 380.414 3.374 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000184675875 1430939774 /nfs/dbraw/zinc/93/97/74/1430939774.db2.gz MSPPOELCZITRLH-HNNXBMFYSA-N 0 1 388.462 3.389 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000184681748 1430940954 /nfs/dbraw/zinc/94/09/54/1430940954.db2.gz DLOMLPCJWODTOM-UHFFFAOYSA-N 0 1 379.439 3.005 20 0 GGADMN COc1cc(Cl)cc(CN2CCN(CCCOCC(F)(F)F)CC2)c1O ZINC000184683886 1430941862 /nfs/dbraw/zinc/94/18/62/1430941862.db2.gz UCMXQRCCQSSBND-UHFFFAOYSA-N 0 1 396.837 3.141 20 0 GGADMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(F)cc1F ZINC000184687030 1430942697 /nfs/dbraw/zinc/94/26/97/1430942697.db2.gz PRFKZHOMQRZPGW-GFCCVEGCSA-N 0 1 384.423 3.495 20 0 GGADMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(F)c(F)c1 ZINC000184687594 1430943105 /nfs/dbraw/zinc/94/31/05/1430943105.db2.gz LBFCAQZWWHPDKZ-GFCCVEGCSA-N 0 1 384.423 3.495 20 0 GGADMN COC[C@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(C)o1 ZINC000184703137 1430946841 /nfs/dbraw/zinc/94/68/41/1430946841.db2.gz XCXFRBAQRXSHAG-AWEZNQCLSA-N 0 1 396.369 3.399 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000184713168 1430949522 /nfs/dbraw/zinc/94/95/22/1430949522.db2.gz NKZNKXDOUKQQEA-UHFFFAOYSA-N 0 1 398.854 3.457 20 0 GGADMN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H](C)O1 ZINC000184713443 1430949828 /nfs/dbraw/zinc/94/98/28/1430949828.db2.gz POSZLWFZZJVDSS-HUUCEWRRSA-N 0 1 377.448 3.338 20 0 GGADMN C[C@H]1CN(c2ccccc2NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H](C)O1 ZINC000184713424 1430950004 /nfs/dbraw/zinc/95/00/04/1430950004.db2.gz POSZLWFZZJVDSS-GJZGRUSLSA-N 0 1 377.448 3.338 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)c2nccs2)N(C)C)c1 ZINC000184715613 1430950193 /nfs/dbraw/zinc/95/01/93/1430950193.db2.gz PMGNTINPEZHWBE-WMLDXEAASA-N 0 1 376.526 3.200 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2nc(C)c(C)nc2C)CC1 ZINC000184721429 1430953872 /nfs/dbraw/zinc/95/38/72/1430953872.db2.gz HTYZHPTXRGIWHK-UHFFFAOYSA-N 0 1 387.915 3.449 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000184725531 1430954627 /nfs/dbraw/zinc/95/46/27/1430954627.db2.gz ODGCAGOXMHBYOU-UHFFFAOYSA-N 0 1 396.322 3.489 20 0 GGADMN COCCC(C)(C)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000184742607 1430962082 /nfs/dbraw/zinc/96/20/82/1430962082.db2.gz TWCMMSQCMLFRGF-UHFFFAOYSA-N 0 1 381.948 3.031 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)c2C1 ZINC000184752701 1430966190 /nfs/dbraw/zinc/96/61/90/1430966190.db2.gz MVIBFZSSHYAVDY-FPDPHYFHSA-N 0 1 399.535 3.059 20 0 GGADMN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000184756123 1430967890 /nfs/dbraw/zinc/96/78/90/1430967890.db2.gz FFJXTCXXUJXADF-KSSFIOAISA-N 0 1 394.500 3.080 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3cc(C)c(C)cc3OC(F)F)CC2)nn1 ZINC000184757547 1430968008 /nfs/dbraw/zinc/96/80/08/1430968008.db2.gz AQLROOKBSKSHRS-UHFFFAOYSA-N 0 1 394.422 3.120 20 0 GGADMN CC[C@@H]1CN(Cc2cnc(N3CCOCC3)s2)CCN1Cc1ccccc1 ZINC000184761081 1430969076 /nfs/dbraw/zinc/96/90/76/1430969076.db2.gz QMDIMZSTDUHFLI-LJQANCHMSA-N 0 1 386.565 3.076 20 0 GGADMN CC[C@H]1CN(Cc2cnc(N3CCOCC3)s2)CCN1Cc1ccccc1 ZINC000184761099 1430969289 /nfs/dbraw/zinc/96/92/89/1430969289.db2.gz QMDIMZSTDUHFLI-IBGZPJMESA-N 0 1 386.565 3.076 20 0 GGADMN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000184761752 1430969853 /nfs/dbraw/zinc/96/98/53/1430969853.db2.gz MMPUUXJZXIZZFZ-AVRDEDQJSA-N 0 1 378.520 3.052 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184771227 1430972335 /nfs/dbraw/zinc/97/23/35/1430972335.db2.gz NMEZVEIGXPWMDQ-SJORKVTESA-N 0 1 389.421 3.383 20 0 GGADMN COCc1cc(NCc2n[nH]c(COc3ccccc3)n2)nc(C(C)(C)C)n1 ZINC000184778874 1430975159 /nfs/dbraw/zinc/97/51/59/1430975159.db2.gz GPXHOCCINLPINR-UHFFFAOYSA-N 0 1 382.468 3.230 20 0 GGADMN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000184782788 1430976342 /nfs/dbraw/zinc/97/63/42/1430976342.db2.gz XYBAHVRCBKJBBO-GCJKJVERSA-N 0 1 378.520 3.052 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184786062 1430977082 /nfs/dbraw/zinc/97/70/82/1430977082.db2.gz SFOPQVUSKSWHGM-HZPDHXFCSA-N 0 1 385.468 3.037 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)NCc3cccnc3)s2)cc1 ZINC000184787457 1430977556 /nfs/dbraw/zinc/97/75/56/1430977556.db2.gz PBXBEIJEPVWMQY-AWEZNQCLSA-N 0 1 396.516 3.489 20 0 GGADMN CCCNC(=O)NC(=O)CN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184792032 1430978866 /nfs/dbraw/zinc/97/88/66/1430978866.db2.gz ZQFMVXAZKHINRN-LBPRGKRZSA-N 0 1 390.509 3.014 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)Nc3cc(C)nn3C)s2)cc1 ZINC000184792368 1430978928 /nfs/dbraw/zinc/97/89/28/1430978928.db2.gz NZNAPIGYFJYWFJ-ZDUSSCGKSA-N 0 1 399.520 3.458 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000184794200 1430979783 /nfs/dbraw/zinc/97/97/83/1430979783.db2.gz YSDKHRHOQPMBGW-WFXMLNOXSA-N 0 1 395.503 3.317 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(N2CCOCC2)nc1 ZINC000184796823 1430980783 /nfs/dbraw/zinc/98/07/83/1430980783.db2.gz YRQQRPBSMHMPPV-UHFFFAOYSA-N 0 1 397.866 3.238 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)N2CCCC2)o1 ZINC000184809127 1430984271 /nfs/dbraw/zinc/98/42/71/1430984271.db2.gz ABMCMXFNLKHVQL-FQEVSTJZSA-N 0 1 397.519 3.418 20 0 GGADMN Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000184815303 1430986687 /nfs/dbraw/zinc/98/66/87/1430986687.db2.gz SRSQHVPPHMBMMA-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN CSCc1ccccc1NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000184821606 1430990740 /nfs/dbraw/zinc/99/07/40/1430990740.db2.gz FVIPNEHEFIXLSI-UHFFFAOYSA-N 0 1 385.537 3.018 20 0 GGADMN Cc1c(CCC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cnn1C ZINC000184828689 1430994078 /nfs/dbraw/zinc/99/40/78/1430994078.db2.gz MCTJLVNVHACLKQ-QGZVFWFLSA-N 0 1 382.430 3.099 20 0 GGADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184828931 1430994412 /nfs/dbraw/zinc/99/44/12/1430994412.db2.gz JNQGZIHSMDKCOB-DYVFJYSZSA-N 0 1 381.398 3.287 20 0 GGADMN Cc1cccc(C)c1NC(=O)CCCN[C@@H](C)c1nnnn1-c1ccccc1 ZINC000184834413 1430997717 /nfs/dbraw/zinc/99/77/17/1430997717.db2.gz USPGEQVRMMEUQG-KRWDZBQOSA-N 0 1 378.480 3.349 20 0 GGADMN Cc1nc(C)c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)nc1C ZINC000184835936 1430998332 /nfs/dbraw/zinc/99/83/32/1430998332.db2.gz RGRPMWDTCODXKQ-INIZCTEOSA-N 0 1 380.414 3.453 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000184840281 1431000028 /nfs/dbraw/zinc/00/00/28/1431000028.db2.gz AKNPUJWPVAJFDA-QGZVFWFLSA-N 0 1 393.409 3.098 20 0 GGADMN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184854799 1431004283 /nfs/dbraw/zinc/00/42/83/1431004283.db2.gz BCDAHSBKWVVFBQ-LJQANCHMSA-N 0 1 376.416 3.124 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1)c1cccs1 ZINC000184863235 1431006259 /nfs/dbraw/zinc/00/62/59/1431006259.db2.gz HLCLKQOLRBGPAX-YJBOKZPZSA-N 0 1 381.929 3.211 20 0 GGADMN CC(C)[C@H](NCCCOc1cccc(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000184866235 1431007403 /nfs/dbraw/zinc/00/74/03/1431007403.db2.gz FFZIETIVQZJMJY-AWEZNQCLSA-N 0 1 376.848 3.264 20 0 GGADMN Cc1ccccc1C1(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)CCOCC1 ZINC000184871830 1431008455 /nfs/dbraw/zinc/00/84/55/1431008455.db2.gz ZDTLAHNTUWBLQT-UHFFFAOYSA-N 0 1 376.460 3.258 20 0 GGADMN O=C(CCc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1)N1CCCC1 ZINC000184872598 1431008641 /nfs/dbraw/zinc/00/86/41/1431008641.db2.gz UOURLNUNJHCUQH-UHFFFAOYSA-N 0 1 389.459 3.279 20 0 GGADMN CCCCOc1ccc(C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)c(Cl)c1 ZINC000184883814 1431012250 /nfs/dbraw/zinc/01/22/50/1431012250.db2.gz ISCUPLSNFBBPLP-KRWDZBQOSA-N 0 1 393.959 3.371 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OCc1nc(-c2ccccc2)cs1 ZINC000184893489 1431014756 /nfs/dbraw/zinc/01/47/56/1431014756.db2.gz GUTMULMJRYBCBF-UHFFFAOYSA-N 0 1 394.456 3.049 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccccc2Cn2cccn2)cc1 ZINC000184911408 1431019494 /nfs/dbraw/zinc/01/94/94/1431019494.db2.gz VBDMSNDGKXELFH-SFHVURJKSA-N 0 1 383.517 3.192 20 0 GGADMN CCCC1=NC(=S)N[C@@H](c2sccc2Br)C1C(=O)OC ZINC000184923360 1431022392 /nfs/dbraw/zinc/02/23/92/1431022392.db2.gz KWTWRLINRLQTME-SNVBAGLBSA-N 0 1 375.313 3.257 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2ccc(O)c(OC)c2)CCN1Cc1ccccc1 ZINC000184924741 1431022833 /nfs/dbraw/zinc/02/28/33/1431022833.db2.gz BBLWFWNEJAGDDW-IBGZPJMESA-N 0 1 383.492 3.207 20 0 GGADMN COCc1c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cnn1-c1ccccc1 ZINC000184930389 1431024300 /nfs/dbraw/zinc/02/43/00/1431024300.db2.gz YCTJVQWIWOAEMH-FQEVSTJZSA-N 0 1 396.466 3.191 20 0 GGADMN COCc1c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cnn1-c1ccccc1 ZINC000184930408 1431024312 /nfs/dbraw/zinc/02/43/12/1431024312.db2.gz YCTJVQWIWOAEMH-HXUWFJFHSA-N 0 1 396.466 3.191 20 0 GGADMN CC(C)N1CCCC[C@H]1C(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000184934000 1431025228 /nfs/dbraw/zinc/02/52/28/1431025228.db2.gz XAJSNNMGSPENBB-IBGZPJMESA-N 0 1 379.932 3.374 20 0 GGADMN CCCCn1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)c(C)n1 ZINC000184942665 1431027240 /nfs/dbraw/zinc/02/72/40/1431027240.db2.gz OLHCZKUHMUIWPR-UHFFFAOYSA-N 0 1 399.539 3.394 20 0 GGADMN CSc1cccc(C)c1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000184948757 1431028464 /nfs/dbraw/zinc/02/84/64/1431028464.db2.gz SLBIMRVXGYKLJX-UHFFFAOYSA-N 0 1 385.537 3.185 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000184959619 1431031403 /nfs/dbraw/zinc/03/14/03/1431031403.db2.gz NUKDTSUCGAWDJC-OWCLPIDISA-N 0 1 396.553 3.153 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1[N+](=O)[O-] ZINC000184967700 1431032986 /nfs/dbraw/zinc/03/29/86/1431032986.db2.gz JHPPVNOFSMOQCB-UHFFFAOYSA-N 0 1 388.361 3.160 20 0 GGADMN COCCC(C)(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000184973238 1431034403 /nfs/dbraw/zinc/03/44/03/1431034403.db2.gz UAZQEHUTQHTCLL-INIZCTEOSA-N 0 1 394.535 3.000 20 0 GGADMN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000184980957 1431035737 /nfs/dbraw/zinc/03/57/37/1431035737.db2.gz GJABCIMLXWEZSZ-DZFGPLHGSA-N 0 1 388.556 3.500 20 0 GGADMN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184983992 1431036389 /nfs/dbraw/zinc/03/63/89/1431036389.db2.gz FMHHSUNZPDNDMQ-ZDUSSCGKSA-N 0 1 398.417 3.166 20 0 GGADMN CC(C)C(=O)N1CCCN(CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000184995385 1431038016 /nfs/dbraw/zinc/03/80/16/1431038016.db2.gz JSEFVDZXHXCHHE-UHFFFAOYSA-N 0 1 390.524 3.211 20 0 GGADMN Cc1cnc([C@H](C)NCC(=O)Nc2cccc(CN3CCSCC3)c2)s1 ZINC000185005162 1431040401 /nfs/dbraw/zinc/04/04/01/1431040401.db2.gz AEFMATIHFYDFPO-HNNXBMFYSA-N 0 1 390.578 3.290 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN1C1CC1 ZINC000185005951 1431040501 /nfs/dbraw/zinc/04/05/01/1431040501.db2.gz QYACQYOTQSBKDM-TVQRCGJNSA-N 0 1 389.805 3.039 20 0 GGADMN CC[C@H]1CN(C(=O)NCC2(SC)CCOCC2)CCN1Cc1ccccc1 ZINC000185014714 1431042182 /nfs/dbraw/zinc/04/21/82/1431042182.db2.gz ZEHZCTOCZUKWMH-IBGZPJMESA-N 0 1 391.581 3.205 20 0 GGADMN CC(C)(C(=O)N1CCC(CN2CCOCC2)CC1)c1cccc(Cl)c1F ZINC000185015767 1431042749 /nfs/dbraw/zinc/04/27/49/1431042749.db2.gz SPVBEYMIZZPSDW-UHFFFAOYSA-N 0 1 382.907 3.328 20 0 GGADMN CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1OC ZINC000185042490 1431047550 /nfs/dbraw/zinc/04/75/50/1431047550.db2.gz ROGOJRAICVILHC-ZDUSSCGKSA-N 0 1 392.883 3.420 20 0 GGADMN C[C@@H](CCc1ccccc1)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185041631 1431047612 /nfs/dbraw/zinc/04/76/12/1431047612.db2.gz PJLKUBFUJJOBGX-INIZCTEOSA-N 0 1 379.464 3.204 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)cc12 ZINC000185049029 1431049166 /nfs/dbraw/zinc/04/91/66/1431049166.db2.gz LOCUTEDZSQBOLT-APWZRJJASA-N 0 1 391.471 3.459 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccnc(N3CCCCC3)c2)cc1 ZINC000185054598 1431050115 /nfs/dbraw/zinc/05/01/15/1431050115.db2.gz YYPLOZSREVZYGO-GOSISDBHSA-N 0 1 387.549 3.332 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCC2(CO)CCCC2)N2CCCCC2)cc1 ZINC000185056025 1431050683 /nfs/dbraw/zinc/05/06/83/1431050683.db2.gz VDAIPUKWHGQKOA-HXUWFJFHSA-N 0 1 389.540 3.074 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cccc(F)c1 ZINC000185063525 1431052211 /nfs/dbraw/zinc/05/22/11/1431052211.db2.gz JQMUMGDZXLUEKM-RBBKRZOGSA-N 0 1 383.467 3.269 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CC[C@]3(C2)OCc2ccccc23)N(C)C)c1 ZINC000185064288 1431052553 /nfs/dbraw/zinc/05/25/53/1431052553.db2.gz ZHUJPGZCKQTTNI-JTHBVZDNSA-N 0 1 395.503 3.139 20 0 GGADMN Cn1cc(CNCc2cnc(N3CCOCC3)c(F)c2)c(C2CCCCC2)n1 ZINC000185072345 1431054126 /nfs/dbraw/zinc/05/41/26/1431054126.db2.gz TWASMBHQILYJNM-UHFFFAOYSA-N 0 1 387.503 3.128 20 0 GGADMN Cn1nc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)c2ccccc21 ZINC000185077530 1431055264 /nfs/dbraw/zinc/05/52/64/1431055264.db2.gz SCFHWRBXCWGNIN-JOCHJYFZSA-N 0 1 376.504 3.287 20 0 GGADMN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000185078992 1431055737 /nfs/dbraw/zinc/05/57/37/1431055737.db2.gz VGSBTOSJJCORAO-ZDUSSCGKSA-N 0 1 377.282 3.464 20 0 GGADMN O=C(CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)NCc1ccco1 ZINC000185087702 1431057669 /nfs/dbraw/zinc/05/76/69/1431057669.db2.gz YKZUCQOLQUKSAM-HXUWFJFHSA-N 0 1 392.434 3.416 20 0 GGADMN Cn1nnc2cc(C(=O)Nc3ccc(-c4n[nH]c(-c5ccccc5)n4)cc3)cnc21 ZINC000185089760 1431058046 /nfs/dbraw/zinc/05/80/46/1431058046.db2.gz CFFHHILAFAAGHI-UHFFFAOYSA-N 0 1 396.414 3.068 20 0 GGADMN Cn1nnc2cc(C(=O)Nc3ccc(-c4nc(-c5ccccc5)n[nH]4)cc3)cnc21 ZINC000185089760 1431058052 /nfs/dbraw/zinc/05/80/52/1431058052.db2.gz CFFHHILAFAAGHI-UHFFFAOYSA-N 0 1 396.414 3.068 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000185098076 1431060334 /nfs/dbraw/zinc/06/03/34/1431060334.db2.gz DPWCBVZMAYNNFK-UHFFFAOYSA-N 0 1 383.517 3.362 20 0 GGADMN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185110735 1431063220 /nfs/dbraw/zinc/06/32/20/1431063220.db2.gz GKPJPOCPHAXEQI-UHFFFAOYSA-N 0 1 377.448 3.418 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000185113479 1431063920 /nfs/dbraw/zinc/06/39/20/1431063920.db2.gz JAQFULBTULXBLQ-ICSRJNTNSA-N 0 1 392.613 3.047 20 0 GGADMN CC(C)[C@H](CNC(=O)NC(C)(C)c1cccc(Cl)c1F)N1CCN(C)CC1 ZINC000185113133 1431063946 /nfs/dbraw/zinc/06/39/46/1431063946.db2.gz PSGHJUFQIMVAMB-KRWDZBQOSA-N 0 1 398.954 3.285 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000185113465 1431064012 /nfs/dbraw/zinc/06/40/12/1431064012.db2.gz JAQFULBTULXBLQ-QUCCMNQESA-N 0 1 392.613 3.047 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)COc2ccc(F)cc2F)cc1 ZINC000185125838 1431066803 /nfs/dbraw/zinc/06/68/03/1431066803.db2.gz YLKBXUVVTLDAHE-CABCVRRESA-N 0 1 383.460 3.493 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000185127370 1431067068 /nfs/dbraw/zinc/06/70/68/1431067068.db2.gz AHMNLHCERNKERK-RISCZKNCSA-N 0 1 384.245 3.384 20 0 GGADMN CCCOc1ccc(CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000185128104 1431067566 /nfs/dbraw/zinc/06/75/66/1431067566.db2.gz FDQDSNARTVQIBU-UHFFFAOYSA-N 0 1 395.463 3.172 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000185128006 1431067642 /nfs/dbraw/zinc/06/76/42/1431067642.db2.gz UUEJLOFSCVQUIF-SMDDNHRTSA-N 0 1 384.245 3.384 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000185130579 1431068289 /nfs/dbraw/zinc/06/82/89/1431068289.db2.gz NVAIOHJODQONTC-UHFFFAOYSA-N 0 1 396.491 3.065 20 0 GGADMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185141956 1431071360 /nfs/dbraw/zinc/07/13/60/1431071360.db2.gz AARORFNRGUTNQA-INIZCTEOSA-N 0 1 394.581 3.368 20 0 GGADMN CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1Cl ZINC000185168370 1431076512 /nfs/dbraw/zinc/07/65/12/1431076512.db2.gz VMWJRYJJDKMMPV-UHFFFAOYSA-N 0 1 383.235 3.232 20 0 GGADMN COc1ccc(F)cc1[C@H](C)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185170199 1431076851 /nfs/dbraw/zinc/07/68/51/1431076851.db2.gz MOKNFMYARJILOT-ZDUSSCGKSA-N 0 1 399.426 3.092 20 0 GGADMN O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185176430 1431077837 /nfs/dbraw/zinc/07/78/37/1431077837.db2.gz ZHFRDCYGESBPAM-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1c[nH]c2cccc(F)c21 ZINC000185182161 1431078788 /nfs/dbraw/zinc/07/87/88/1431078788.db2.gz GRDGHNQGCRWJNJ-UHFFFAOYSA-N 0 1 398.423 3.096 20 0 GGADMN CCN(C)C(=O)CNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000185185919 1431079800 /nfs/dbraw/zinc/07/98/00/1431079800.db2.gz IOSBQTXXKIAXAY-UHFFFAOYSA-N 0 1 376.884 3.496 20 0 GGADMN CCN(C)C(=O)CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000185187069 1431080069 /nfs/dbraw/zinc/08/00/69/1431080069.db2.gz MBVIEEPTTUNSJB-UHFFFAOYSA-N 0 1 378.476 3.116 20 0 GGADMN CN(C)C(=O)c1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1Cl ZINC000185194427 1431081536 /nfs/dbraw/zinc/08/15/36/1431081536.db2.gz WBCBBTCCETVNNG-UHFFFAOYSA-N 0 1 395.843 3.463 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H](C)c3cn(C)c4ccccc34)n2)cc1 ZINC000185193519 1431081877 /nfs/dbraw/zinc/08/18/77/1431081877.db2.gz ZWBLODKIPLMWSC-CQSZACIVSA-N 0 1 389.459 3.392 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H](C)c3cn(C)c4ccccc34)n[nH]2)cc1 ZINC000185193519 1431081883 /nfs/dbraw/zinc/08/18/83/1431081883.db2.gz ZWBLODKIPLMWSC-CQSZACIVSA-N 0 1 389.459 3.392 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC1(CO)CCCC1)N1CCCCC1 ZINC000185201193 1431083234 /nfs/dbraw/zinc/08/32/34/1431083234.db2.gz FXEQTQCKIAROEH-IBGZPJMESA-N 0 1 389.540 3.074 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000185201430 1431083313 /nfs/dbraw/zinc/08/33/13/1431083313.db2.gz CNCILKYQWCSVFI-HOTGVXAUSA-N 0 1 394.541 3.385 20 0 GGADMN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185201023 1431083487 /nfs/dbraw/zinc/08/34/87/1431083487.db2.gz SZQUSZXPSLLHBG-LBPRGKRZSA-N 0 1 393.281 3.244 20 0 GGADMN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185201683 1431083499 /nfs/dbraw/zinc/08/34/99/1431083499.db2.gz XPZZGUVKBOYTSM-GFCCVEGCSA-N 0 1 393.281 3.244 20 0 GGADMN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185201037 1431083521 /nfs/dbraw/zinc/08/35/21/1431083521.db2.gz SZQUSZXPSLLHBG-GFCCVEGCSA-N 0 1 393.281 3.244 20 0 GGADMN O=S(=O)(NCc1n[nH]c(COc2ccccc2)n1)c1ccc2ccccc2c1 ZINC000185208295 1431085381 /nfs/dbraw/zinc/08/53/81/1431085381.db2.gz IDLXOPUDEFPAKL-UHFFFAOYSA-N 0 1 394.456 3.015 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1cn(C)c2ccccc12 ZINC000185211119 1431085924 /nfs/dbraw/zinc/08/59/24/1431085924.db2.gz OVGSNQPTHNOAFB-INIZCTEOSA-N 0 1 377.492 3.067 20 0 GGADMN O=C1OCCN1c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185211627 1431086133 /nfs/dbraw/zinc/08/61/33/1431086133.db2.gz YOLPVQOTQKAAJN-UHFFFAOYSA-N 0 1 375.381 3.064 20 0 GGADMN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000185214735 1431086446 /nfs/dbraw/zinc/08/64/46/1431086446.db2.gz RYQLBJCTEZHAGI-UHFFFAOYSA-N 0 1 393.422 3.102 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C(C)(C)O)N2CCCCC2)cc1 ZINC000185226273 1431089293 /nfs/dbraw/zinc/08/92/93/1431089293.db2.gz BJKHXQZMPORMDZ-WOJBJXKFSA-N 0 1 389.540 3.167 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C(C)(C)O)N2CCCCC2)cc1 ZINC000185226255 1431089343 /nfs/dbraw/zinc/08/93/43/1431089343.db2.gz BJKHXQZMPORMDZ-UXHICEINSA-N 0 1 389.540 3.167 20 0 GGADMN CCN(CC)[C@@H](CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000185228107 1431089583 /nfs/dbraw/zinc/08/95/83/1431089583.db2.gz ADEUTSKQZNUNRB-HKUYNNGSSA-N 0 1 378.538 3.423 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N(C)C[C@H](O)C(F)(F)F)c1ccccc1Cl ZINC000185236569 1431090832 /nfs/dbraw/zinc/09/08/32/1431090832.db2.gz VZIMZDDPSOAMQF-CABCVRRESA-N 0 1 395.853 3.288 20 0 GGADMN C[C@@H]1COCCN1c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185252431 1431093789 /nfs/dbraw/zinc/09/37/89/1431093789.db2.gz PGBAOBJVWKGSLG-CYBMUJFWSA-N 0 1 389.452 3.333 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCNC(=O)OC(C)(C)C)cc1 ZINC000185266712 1431096913 /nfs/dbraw/zinc/09/69/13/1431096913.db2.gz SMBOINNMZWKSTI-QZTJIDSGSA-N 0 1 396.553 3.194 20 0 GGADMN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185276671 1431098439 /nfs/dbraw/zinc/09/84/39/1431098439.db2.gz IHFFGUAFTXLEFW-WOJBJXKFSA-N 0 1 375.538 3.220 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000185280342 1431099074 /nfs/dbraw/zinc/09/90/74/1431099074.db2.gz FHWCBPXTJWHJJV-LLVKDONJSA-N 0 1 383.857 3.007 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185284570 1431099224 /nfs/dbraw/zinc/09/92/24/1431099224.db2.gz IKWLQUROIBLSCO-VQIMIIECSA-N 0 1 390.505 3.143 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@H](c1ncc(C)s1)C1CC1 ZINC000185284550 1431099395 /nfs/dbraw/zinc/09/93/95/1431099395.db2.gz IKWLQUROIBLSCO-LPHOPBHVSA-N 0 1 390.505 3.143 20 0 GGADMN COc1ccc(OC)c([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185291854 1431101186 /nfs/dbraw/zinc/10/11/86/1431101186.db2.gz RPNCJFODLXABPL-HNNXBMFYSA-N 0 1 390.505 3.095 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185291804 1431101451 /nfs/dbraw/zinc/10/14/51/1431101451.db2.gz XKMDDUKAEYUBGI-HNNXBMFYSA-N 0 1 387.505 3.036 20 0 GGADMN Cc1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1N1CCOCC1 ZINC000185292276 1431101975 /nfs/dbraw/zinc/10/19/75/1431101975.db2.gz MMKWFYQLNSOQPN-UHFFFAOYSA-N 0 1 389.452 3.253 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000185298036 1431103997 /nfs/dbraw/zinc/10/39/97/1431103997.db2.gz MAJRVOGDZXQDSI-CYBMUJFWSA-N 0 1 380.897 3.436 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)N1CCN(C)CC1 ZINC000185299642 1431104896 /nfs/dbraw/zinc/10/48/96/1431104896.db2.gz AECIIHZDDGFCDP-OAQYLSRUSA-N 0 1 386.584 3.113 20 0 GGADMN C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(Br)ccc1[O-] ZINC000185303468 1431106048 /nfs/dbraw/zinc/10/60/48/1431106048.db2.gz BMMJKMROLWKDDP-LBPRGKRZSA-N 0 1 393.281 3.331 20 0 GGADMN C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(Br)cc1[O-] ZINC000185303941 1431106665 /nfs/dbraw/zinc/10/66/65/1431106665.db2.gz XECFSLLJKHVNCM-GFCCVEGCSA-N 0 1 393.281 3.331 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1c(O)cccc1F ZINC000185311953 1431109780 /nfs/dbraw/zinc/10/97/80/1431109780.db2.gz GCBPIJUMYMBDQI-UHFFFAOYSA-N 0 1 392.330 3.174 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NCc1ccc(F)c(Cl)c1 ZINC000185317436 1431111655 /nfs/dbraw/zinc/11/16/55/1431111655.db2.gz BGYJQXIZHREIRT-UHFFFAOYSA-N 0 1 389.818 3.176 20 0 GGADMN Cc1ccccc1C1(CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)CC1 ZINC000185324977 1431114992 /nfs/dbraw/zinc/11/49/92/1431114992.db2.gz XEJSGNZOJZBYGE-UHFFFAOYSA-N 0 1 391.475 3.223 20 0 GGADMN COc1ccc(F)cc1CC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000185328204 1431115726 /nfs/dbraw/zinc/11/57/26/1431115726.db2.gz WIVQNKSGBPXVOC-LJQANCHMSA-N 0 1 386.467 3.339 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185326607 1431115835 /nfs/dbraw/zinc/11/58/35/1431115835.db2.gz SOQJGDSVIXMZNN-RDJZCZTQSA-N 0 1 390.430 3.152 20 0 GGADMN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327495 1431115985 /nfs/dbraw/zinc/11/59/85/1431115985.db2.gz CVLUUKUZKBTBLV-JTDSTZFVSA-N 0 1 376.520 3.469 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185326592 1431116015 /nfs/dbraw/zinc/11/60/15/1431116015.db2.gz SOQJGDSVIXMZNN-DOTOQJQBSA-N 0 1 390.430 3.152 20 0 GGADMN C[C@@H](NC(=O)N1CCCC[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327668 1431116152 /nfs/dbraw/zinc/11/61/52/1431116152.db2.gz GIZIDGUNMNCLSC-DLBZAZTESA-N 0 1 376.520 3.470 20 0 GGADMN CC[C@@H]1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000185334819 1431117667 /nfs/dbraw/zinc/11/76/67/1431117667.db2.gz HKWNAQFWMMQMKQ-OAQYLSRUSA-N 0 1 385.552 3.004 20 0 GGADMN CC[C@@H]1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)CCN1Cc1ccccc1 ZINC000185334819 1431117670 /nfs/dbraw/zinc/11/76/70/1431117670.db2.gz HKWNAQFWMMQMKQ-OAQYLSRUSA-N 0 1 385.552 3.004 20 0 GGADMN CCCc1noc(CCCC(=O)N2CCN(Cc3ccccc3)[C@@H](CC)C2)n1 ZINC000185334016 1431117967 /nfs/dbraw/zinc/11/79/67/1431117967.db2.gz PHURAMUBYDEOPG-IBGZPJMESA-N 0 1 384.524 3.468 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)c3nc(C)c(C)nc3C)CCN2C2CC2)c1 ZINC000185336925 1431118527 /nfs/dbraw/zinc/11/85/27/1431118527.db2.gz IZHMZOYXOKAPCE-TZIWHRDSSA-N 0 1 380.492 3.118 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc(CNC(C)=O)cc2)CCN1Cc1ccccc1 ZINC000185338335 1431119358 /nfs/dbraw/zinc/11/93/58/1431119358.db2.gz CHBZVLIFVRSUSL-QFIPXVFZSA-N 0 1 379.504 3.059 20 0 GGADMN CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000185339399 1431119850 /nfs/dbraw/zinc/11/98/50/1431119850.db2.gz ZBHYRFGDQGHSEN-SFTDATJTSA-N 0 1 380.573 3.323 20 0 GGADMN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000185339417 1431120209 /nfs/dbraw/zinc/12/02/09/1431120209.db2.gz ZBHYRFGDQGHSEN-NHCUHLMSSA-N 0 1 380.573 3.323 20 0 GGADMN CC[C@@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC000185345196 1431120825 /nfs/dbraw/zinc/12/08/25/1431120825.db2.gz YKVIJLUCAXPGFI-UYAOXDASSA-N 0 1 377.488 3.235 20 0 GGADMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NNc1c(F)cccc1Cl ZINC000185346907 1431121274 /nfs/dbraw/zinc/12/12/74/1431121274.db2.gz GJYFUDVCFPAVIP-UHFFFAOYSA-N 0 1 380.184 3.346 20 0 GGADMN CC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1OC ZINC000185345880 1431121319 /nfs/dbraw/zinc/12/13/19/1431121319.db2.gz IEOLUKZLRLHEGZ-SFTDATJTSA-N 0 1 382.504 3.206 20 0 GGADMN CC[C@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC000185345217 1431121389 /nfs/dbraw/zinc/12/13/89/1431121389.db2.gz YKVIJLUCAXPGFI-AZUAARDMSA-N 0 1 377.488 3.235 20 0 GGADMN COc1ccc(C)cc1[C@H](C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185345531 1431121587 /nfs/dbraw/zinc/12/15/87/1431121587.db2.gz SPZQUSBVDZPKAL-RXVVDRJESA-N 0 1 382.504 3.124 20 0 GGADMN CC[C@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)CCN1Cc1ccccc1 ZINC000185350577 1431122480 /nfs/dbraw/zinc/12/24/80/1431122480.db2.gz SVNFIEKZRGOVKG-IBGZPJMESA-N 0 1 394.475 3.385 20 0 GGADMN CC[C@H]1CN(C(=O)CCn2c(C)c(C)sc2=O)CCN1Cc1ccccc1 ZINC000185350350 1431122510 /nfs/dbraw/zinc/12/25/10/1431122510.db2.gz RIUKASZMHQXOGA-IBGZPJMESA-N 0 1 387.549 3.040 20 0 GGADMN CC[C@@H]1CN(C(=O)CCc2nc(-c3ccoc3)no2)CCN1Cc1ccccc1 ZINC000185350557 1431122736 /nfs/dbraw/zinc/12/27/36/1431122736.db2.gz SVNFIEKZRGOVKG-LJQANCHMSA-N 0 1 394.475 3.385 20 0 GGADMN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185370625 1431127963 /nfs/dbraw/zinc/12/79/63/1431127963.db2.gz UKKZRCYIWKONOM-UHFFFAOYSA-N 0 1 395.316 3.398 20 0 GGADMN Cc1ccc(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)o1 ZINC000185379839 1431130387 /nfs/dbraw/zinc/13/03/87/1431130387.db2.gz JYQGOAAWDYEYCH-UHFFFAOYSA-N 0 1 376.210 3.416 20 0 GGADMN Cc1ccc(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)o1 ZINC000185379839 1431130391 /nfs/dbraw/zinc/13/03/91/1431130391.db2.gz JYQGOAAWDYEYCH-UHFFFAOYSA-N 0 1 376.210 3.416 20 0 GGADMN Cc1ccc(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)n1C ZINC000185380271 1431130697 /nfs/dbraw/zinc/13/06/97/1431130697.db2.gz BUSUKOKYMINIGR-UHFFFAOYSA-N 0 1 389.253 3.162 20 0 GGADMN Cc1ccc(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)n1C ZINC000185380271 1431130700 /nfs/dbraw/zinc/13/07/00/1431130700.db2.gz BUSUKOKYMINIGR-UHFFFAOYSA-N 0 1 389.253 3.162 20 0 GGADMN Cc1noc(C)c1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379782 1431130713 /nfs/dbraw/zinc/13/07/13/1431130713.db2.gz VCEAKIAIASMPRH-UHFFFAOYSA-N 0 1 391.225 3.120 20 0 GGADMN Cc1noc(C)c1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185379782 1431130715 /nfs/dbraw/zinc/13/07/15/1431130715.db2.gz VCEAKIAIASMPRH-UHFFFAOYSA-N 0 1 391.225 3.120 20 0 GGADMN CC[C@@H](SC)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382540 1431131559 /nfs/dbraw/zinc/13/15/59/1431131559.db2.gz MTVQVPDCVNEORS-GFCCVEGCSA-N 0 1 384.299 3.343 20 0 GGADMN CC[C@@H](SC)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382540 1431131563 /nfs/dbraw/zinc/13/15/63/1431131563.db2.gz MTVQVPDCVNEORS-GFCCVEGCSA-N 0 1 384.299 3.343 20 0 GGADMN C[C@H](c1cnccn1)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000185384209 1431132152 /nfs/dbraw/zinc/13/21/52/1431132152.db2.gz AGSPALTVZSDDJM-SRCQZFHVSA-N 0 1 396.388 3.213 20 0 GGADMN CCCNC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000185387091 1431133137 /nfs/dbraw/zinc/13/31/37/1431133137.db2.gz XAGUBAJGLUEUSJ-CQSZACIVSA-N 0 1 375.900 3.128 20 0 GGADMN O=C(NCC1(CO)CCCC1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185395137 1431135382 /nfs/dbraw/zinc/13/53/82/1431135382.db2.gz PNUIOOHKFJHGSE-KRWDZBQOSA-N 0 1 399.457 3.132 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(OC(F)F)n(C)n1 ZINC000185401332 1431136820 /nfs/dbraw/zinc/13/68/20/1431136820.db2.gz QSDLPPQMHZPGBL-UHFFFAOYSA-N 0 1 396.463 3.131 20 0 GGADMN Cc1ccc([C@H](OC[C@@H](O)CN(C)[C@@H](C)C[S@](C)=O)c2ccccc2)cc1 ZINC000185400944 1431137179 /nfs/dbraw/zinc/13/71/79/1431137179.db2.gz DGEFVWJSUCEQRX-KXNBQGJDSA-N 0 1 389.561 3.161 20 0 GGADMN COc1ccc(NC(=O)CCN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185415626 1431139894 /nfs/dbraw/zinc/13/98/94/1431139894.db2.gz HDYDUWQASMQHBK-OAQYLSRUSA-N 0 1 382.439 3.276 20 0 GGADMN Cc1ccc(OC[C@H](O)CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1 ZINC000185421443 1431142019 /nfs/dbraw/zinc/14/20/19/1431142019.db2.gz PDAMCYBFXMOIQI-IRLDBZIGSA-N 0 1 383.467 3.295 20 0 GGADMN Cc1cc(C)cc(OC[C@H](O)CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185427890 1431143453 /nfs/dbraw/zinc/14/34/53/1431143453.db2.gz HUHROPIRDKPHLE-IFMALSPDSA-N 0 1 383.467 3.295 20 0 GGADMN COCCn1c(NC(=O)CCc2nc3cccc(C)c3[nH]2)nc2ccccc21 ZINC000185432613 1431144684 /nfs/dbraw/zinc/14/46/84/1431144684.db2.gz DHPNXEOBOQTYGI-UHFFFAOYSA-N 0 1 377.448 3.439 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000185432941 1431144768 /nfs/dbraw/zinc/14/47/68/1431144768.db2.gz NBYPDVYOTSCBFI-CQSZACIVSA-N 0 1 399.495 3.237 20 0 GGADMN CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000185435915 1431145452 /nfs/dbraw/zinc/14/54/52/1431145452.db2.gz QNDGJWMXWMUJIH-UHFFFAOYSA-N 0 1 399.535 3.225 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185439220 1431145941 /nfs/dbraw/zinc/14/59/41/1431145941.db2.gz NYLJKDNFAVRSCA-LEWJYISDSA-N 0 1 383.467 3.295 20 0 GGADMN Cc1ccn(C)c(=O)c1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000185445208 1431146941 /nfs/dbraw/zinc/14/69/41/1431146941.db2.gz PXMAWPFRVFLVCD-OAHLLOKOSA-N 0 1 396.413 3.137 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000185458997 1431149739 /nfs/dbraw/zinc/14/97/39/1431149739.db2.gz HIIJDJBPYPOOGG-KXBFYZLASA-N 0 1 396.503 3.328 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000185458977 1431149903 /nfs/dbraw/zinc/14/99/03/1431149903.db2.gz HIIJDJBPYPOOGG-BEFAXECRSA-N 0 1 396.503 3.328 20 0 GGADMN Cc1csc([C@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C2CC2)n1 ZINC000185463919 1431150951 /nfs/dbraw/zinc/15/09/51/1431150951.db2.gz UUQNUYBIYPLNSK-QGZVFWFLSA-N 0 1 398.492 3.099 20 0 GGADMN COc1ccc(CN(C(=O)CN2CCC(O)(c3ccccc3)CC2)C2CC2)cc1 ZINC000185465586 1431151507 /nfs/dbraw/zinc/15/15/07/1431151507.db2.gz IHMTXKISGNJGAI-UHFFFAOYSA-N 0 1 394.515 3.170 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000185470695 1431152341 /nfs/dbraw/zinc/15/23/41/1431152341.db2.gz WTUKYBQBOCNPSP-LAUBAEHRSA-N 0 1 391.533 3.268 20 0 GGADMN COc1ccc(COC[C@@H](O)CN2CCN([C@H](C)c3ccsc3)CC2)cc1 ZINC000185471202 1431152534 /nfs/dbraw/zinc/15/25/34/1431152534.db2.gz FIWMDYKRPNBTIJ-XLIONFOSSA-N 0 1 390.549 3.013 20 0 GGADMN C[C@H](CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)Sc1ccccc1 ZINC000185477972 1431153833 /nfs/dbraw/zinc/15/38/33/1431153833.db2.gz OXYLOLCEFBNGMJ-OAHLLOKOSA-N 0 1 397.504 3.364 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H](O)c2cccc(OC(C)C)c2)cc1 ZINC000185479142 1431154252 /nfs/dbraw/zinc/15/42/52/1431154252.db2.gz OJPRCPKIFQYLOM-UWJYYQICSA-N 0 1 391.533 3.268 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000185501329 1431159122 /nfs/dbraw/zinc/15/91/22/1431159122.db2.gz CGNCZMJWQYKURN-QUCCMNQESA-N 0 1 393.890 3.289 20 0 GGADMN CCS[C@H]1CCC[C@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185507385 1431160776 /nfs/dbraw/zinc/16/07/76/1431160776.db2.gz NMHAUWGXTFWHLR-HOCLYGCPSA-N 0 1 389.525 3.247 20 0 GGADMN CN(CCNC(=O)N1CCSC[C@@H]1c1nccs1)Cc1ccc(F)cc1 ZINC000185508147 1431160911 /nfs/dbraw/zinc/16/09/11/1431160911.db2.gz CBEXVTSRGPPVER-MRXNPFEDSA-N 0 1 394.541 3.214 20 0 GGADMN CCSc1cccc(CNCc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000185515712 1431162508 /nfs/dbraw/zinc/16/25/08/1431162508.db2.gz DNKXJCLXTXAHQQ-UHFFFAOYSA-N 0 1 384.549 3.185 20 0 GGADMN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185517150 1431162747 /nfs/dbraw/zinc/16/27/47/1431162747.db2.gz LLLWDLIVOZDUOF-UHFFFAOYSA-N 0 1 385.431 3.319 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185517524 1431162904 /nfs/dbraw/zinc/16/29/04/1431162904.db2.gz KTXMZJZIBQFQEC-JKSUJKDBSA-N 0 1 389.525 3.247 20 0 GGADMN 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COCC1=CCN([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000185893060 1431266787 /nfs/dbraw/zinc/26/67/87/1431266787.db2.gz BKRJKBZHIPZIAI-KRWDZBQOSA-N 0 1 382.504 3.474 20 0 GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000185893876 1431267050 /nfs/dbraw/zinc/26/70/50/1431267050.db2.gz BZFLTYHBPCQLTI-IBGZPJMESA-N 0 1 386.927 3.302 20 0 GGADMN C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185895836 1431267720 /nfs/dbraw/zinc/26/77/20/1431267720.db2.gz VBCRORWQQSJQMG-MAUKXSAKSA-N 0 1 392.463 3.071 20 0 GGADMN CC[C@@H](c1ccncc1)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185898123 1431269646 /nfs/dbraw/zinc/26/96/46/1431269646.db2.gz UHUFRGOTJNGJAK-KRWDZBQOSA-N 0 1 380.452 3.071 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N(Cc1cccc(F)c1)C1CC1 ZINC000185900966 1431270610 /nfs/dbraw/zinc/27/06/10/1431270610.db2.gz UANWAWSJYAKYPD-UHFFFAOYSA-N 0 1 395.438 3.397 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@@H]1c1ccccc1 ZINC000185904114 1431271705 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0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)[nH]n2)cc1 ZINC000185953509 1431294074 /nfs/dbraw/zinc/29/40/74/1431294074.db2.gz BCGFMSSOZDDQBL-UHFFFAOYSA-N 0 1 382.395 3.179 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cc(COC(C)(C)C)on1)c1cccs1 ZINC000185958374 1431296492 /nfs/dbraw/zinc/29/64/92/1431296492.db2.gz DJAVMAGPQUJCIP-HNNXBMFYSA-N 0 1 380.514 3.153 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)nc1C ZINC000185989748 1431306185 /nfs/dbraw/zinc/30/61/85/1431306185.db2.gz CRLHFSMOXYCVRO-UHFFFAOYSA-N 0 1 396.472 3.455 20 0 GGADMN CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccc1C ZINC000186003507 1431309006 /nfs/dbraw/zinc/30/90/06/1431309006.db2.gz JREJGOARWMYYAF-SFHVURJKSA-N 0 1 378.432 3.204 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000186009206 1431310404 /nfs/dbraw/zinc/31/04/04/1431310404.db2.gz AMDIIHAXDKVBEA-DYESRHJHSA-N 0 1 396.487 3.080 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000186009188 1431310465 /nfs/dbraw/zinc/31/04/65/1431310465.db2.gz AMDIIHAXDKVBEA-LAUBAEHRSA-N 0 1 396.487 3.080 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000186028065 1431314193 /nfs/dbraw/zinc/31/41/93/1431314193.db2.gz RANBUPHKVFNFRJ-IBGZPJMESA-N 0 1 393.959 3.497 20 0 GGADMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)c(F)c(F)c1 ZINC000186033882 1431315429 /nfs/dbraw/zinc/31/54/29/1431315429.db2.gz QXCGOPCPWJDRDX-GFCCVEGCSA-N 0 1 384.423 3.495 20 0 GGADMN COc1ccc([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)c(F)c1 ZINC000186033537 1431315604 /nfs/dbraw/zinc/31/56/04/1431315604.db2.gz NLQAUWYMYHSTFI-CQSZACIVSA-N 0 1 378.469 3.225 20 0 GGADMN Cn1c2nnc(CN3CCC[C@@]3(C)Cc3ccccc3)n2c2ccccc2c1=O ZINC000186044653 1431318608 /nfs/dbraw/zinc/31/86/08/1431318608.db2.gz ULSHEKFNXHZCGO-QHCPKHFHSA-N 0 1 387.487 3.178 20 0 GGADMN CC(C)c1ccnc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)n1 ZINC000186049191 1431319660 /nfs/dbraw/zinc/31/96/60/1431319660.db2.gz CIFWSQUGTIFSFC-UHFFFAOYSA-N 0 1 394.454 3.092 20 0 GGADMN O=C(C1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1)C(F)(F)F ZINC000186057827 1431321310 /nfs/dbraw/zinc/32/13/10/1431321310.db2.gz WVMPIWKGHZAXIU-UHFFFAOYSA-N 0 1 395.429 3.354 20 0 GGADMN CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186068979 1431323672 /nfs/dbraw/zinc/32/36/72/1431323672.db2.gz VVBIPEXHFRAVTG-UHFFFAOYSA-N 0 1 380.448 3.125 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000186068540 1431323775 /nfs/dbraw/zinc/32/37/75/1431323775.db2.gz PILZLBQJTXUUOG-RBUKOAKNSA-N 0 1 391.581 3.229 20 0 GGADMN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186068550 1431323944 /nfs/dbraw/zinc/32/39/44/1431323944.db2.gz NXSWJONRYOJCNI-IBGZPJMESA-N 0 1 382.439 3.443 20 0 GGADMN COC(=O)C1(CN[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000186069636 1431324038 /nfs/dbraw/zinc/32/40/38/1431324038.db2.gz XTHOIDYICRGPKY-IBGZPJMESA-N 0 1 382.460 3.226 20 0 GGADMN O=C(C1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F ZINC000186071644 1431324512 /nfs/dbraw/zinc/32/45/12/1431324512.db2.gz BMGQAZZQQLJWQO-CQSZACIVSA-N 0 1 383.332 3.452 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000186089672 1431327813 /nfs/dbraw/zinc/32/78/13/1431327813.db2.gz ONUYTADDKVNYJB-WMLDXEAASA-N 0 1 399.495 3.237 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000186089726 1431328085 /nfs/dbraw/zinc/32/80/85/1431328085.db2.gz ONUYTADDKVNYJB-PBHICJAKSA-N 0 1 399.495 3.237 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1noc2ccccc21 ZINC000186097102 1431329856 /nfs/dbraw/zinc/32/98/56/1431329856.db2.gz ZHJPQOBBZAFFJD-GOSISDBHSA-N 0 1 399.516 3.254 20 0 GGADMN C[C@@H](CNC(=O)NCC[C@@](C)(O)c1ccccc1)N1CCc2ccccc2C1 ZINC000186098631 1431330001 /nfs/dbraw/zinc/33/00/01/1431330001.db2.gz VMVAJJVOGHHZTG-FDDCHVKYSA-N 0 1 381.520 3.030 20 0 GGADMN C[C@@H](CNC(=O)NCC[C@](C)(O)c1ccccc1)N1CCc2ccccc2C1 ZINC000186098593 1431330020 /nfs/dbraw/zinc/33/00/20/1431330020.db2.gz VMVAJJVOGHHZTG-MBSDFSHPSA-N 0 1 381.520 3.030 20 0 GGADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000186100493 1431330237 /nfs/dbraw/zinc/33/02/37/1431330237.db2.gz OPCCCGHCEPKAMT-INIZCTEOSA-N 0 1 379.913 3.020 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000186098601 1431330374 /nfs/dbraw/zinc/33/03/74/1431330374.db2.gz NGAHYPKQHQOAJE-QGZVFWFLSA-N 0 1 393.940 3.329 20 0 GGADMN O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc[nH]2)cc1 ZINC000186120146 1431334829 /nfs/dbraw/zinc/33/48/29/1431334829.db2.gz XQDGYAVSHYEUMQ-HNNXBMFYSA-N 0 1 377.231 3.242 20 0 GGADMN CC(=O)NC1(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CCCCC1 ZINC000186123181 1431335389 /nfs/dbraw/zinc/33/53/89/1431335389.db2.gz WFVAYBWLBNAFMM-QGZVFWFLSA-N 0 1 399.457 3.263 20 0 GGADMN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(-c2nnc[nH]2)cc1 ZINC000186126614 1431336165 /nfs/dbraw/zinc/33/61/65/1431336165.db2.gz PZQFBELMNQIPJO-CQSZACIVSA-N 0 1 377.231 3.242 20 0 GGADMN Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186125820 1431336342 /nfs/dbraw/zinc/33/63/42/1431336342.db2.gz RQLPRLJFICMWSL-CYBMUJFWSA-N 0 1 388.821 3.433 20 0 GGADMN CN(C)[C@H](CNC(=O)CCC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000186128456 1431336677 /nfs/dbraw/zinc/33/66/77/1431336677.db2.gz AABHPOASARJZNZ-QGZVFWFLSA-N 0 1 399.457 3.263 20 0 GGADMN CN(C)[C@H](CNC(=O)Cc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000186130666 1431337221 /nfs/dbraw/zinc/33/72/21/1431337221.db2.gz NYVIIQSCHWUKRZ-QGZVFWFLSA-N 0 1 390.409 3.315 20 0 GGADMN CC(C)[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)N1CCCC1=O ZINC000186130035 1431337416 /nfs/dbraw/zinc/33/74/16/1431337416.db2.gz GMCSVDFZPFJRQV-AEFFLSMTSA-N 0 1 399.457 3.071 20 0 GGADMN Cc1noc(CCCC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000186133865 1431338362 /nfs/dbraw/zinc/33/83/62/1431338362.db2.gz UQEJOPLAQZZZHG-OAHLLOKOSA-N 0 1 384.402 3.139 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186144612 1431341230 /nfs/dbraw/zinc/34/12/30/1431341230.db2.gz PTYNMBGYXGLQSE-SKDRFNHKSA-N 0 1 395.219 3.359 20 0 GGADMN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N(C)Cc2nnc[nH]2)n1 ZINC000186144867 1431341253 /nfs/dbraw/zinc/34/12/53/1431341253.db2.gz YQCZKKWSTQOLFB-UHFFFAOYSA-N 0 1 393.373 3.290 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)C3(c4ccccc4)CCCC3)C2)CC1 ZINC000186149292 1431341797 /nfs/dbraw/zinc/34/17/97/1431341797.db2.gz WXMHLLAFGOLLSB-IFMALSPDSA-N 0 1 398.595 3.308 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1(c2ccccc2)CCCC1 ZINC000186150048 1431341925 /nfs/dbraw/zinc/34/19/25/1431341925.db2.gz PYLLIVJUCKHVII-UXHICEINSA-N 0 1 385.552 3.251 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)C1(c2ccccc2)CCCC1 ZINC000186150065 1431342126 /nfs/dbraw/zinc/34/21/26/1431342126.db2.gz PYLLIVJUCKHVII-VQTJNVASSA-N 0 1 385.552 3.251 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)C1(c2ccccc2)CCCC1 ZINC000186150085 1431342248 /nfs/dbraw/zinc/34/22/48/1431342248.db2.gz PYLLIVJUCKHVII-WOJBJXKFSA-N 0 1 385.552 3.251 20 0 GGADMN C[S@@](=O)c1ccc(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000186163383 1431344819 /nfs/dbraw/zinc/34/48/19/1431344819.db2.gz BLTYRPCCBARYOJ-XMMPIXPASA-N 0 1 386.260 3.197 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)C(C)(C)c2cccc(Cl)c2F)[nH]c1C ZINC000186167154 1431345529 /nfs/dbraw/zinc/34/55/29/1431345529.db2.gz JCONLSIRSIXCCK-UHFFFAOYSA-N 0 1 394.834 3.175 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2cccc(N(C)C)n2)cc1 ZINC000186179059 1431347687 /nfs/dbraw/zinc/34/76/87/1431347687.db2.gz QXEWXUYFONRLIP-PMACEKPBSA-N 0 1 387.549 3.331 20 0 GGADMN CCOC(=O)c1nn(C)cc1CN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000186195289 1431350453 /nfs/dbraw/zinc/35/04/53/1431350453.db2.gz RCYHIKYIGVZJKH-UHFFFAOYSA-N 0 1 399.470 3.191 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2CSC)N(C)C)cc1 ZINC000186202719 1431351511 /nfs/dbraw/zinc/35/15/11/1431351511.db2.gz FFFXVPDUHHJXPL-HXUWFJFHSA-N 0 1 399.560 3.470 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000186202354 1431351521 /nfs/dbraw/zinc/35/15/21/1431351521.db2.gz ZPAGZHNTOJCRDQ-RBUKOAKNSA-N 0 1 380.423 3.339 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000186202857 1431351555 /nfs/dbraw/zinc/35/15/55/1431351555.db2.gz HLORVGHXOIWWJL-FQEVSTJZSA-N 0 1 397.544 3.441 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(Cn2cncn2)CC1)c1cc2ccccc2o1 ZINC000186215793 1431354384 /nfs/dbraw/zinc/35/43/84/1431354384.db2.gz ZVFOZMKIYUYXFW-HZPDHXFCSA-N 0 1 381.480 3.002 20 0 GGADMN C[C@H](NC(=O)CN1CCC(Cn2cncn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000186220898 1431355750 /nfs/dbraw/zinc/35/57/50/1431355750.db2.gz VLIIZDLUUFBQQF-ZDUSSCGKSA-N 0 1 396.322 3.174 20 0 GGADMN O=C(NCc1cccc(COCC(F)(F)F)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186227128 1431357257 /nfs/dbraw/zinc/35/72/57/1431357257.db2.gz CWAVCHLSHMJHLT-UHFFFAOYSA-N 0 1 390.365 3.481 20 0 GGADMN O=C(NNC(=O)c1ccc(Cl)cc1F)c1ncoc1-c1ccc(F)cc1 ZINC000186232590 1431358591 /nfs/dbraw/zinc/35/85/91/1431358591.db2.gz XIULUFONNSBECI-UHFFFAOYSA-N 0 1 377.734 3.348 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000186241601 1431360521 /nfs/dbraw/zinc/36/05/21/1431360521.db2.gz QZOPQICXQFGHIX-HSZRJFAPSA-N 0 1 395.551 3.428 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000186263886 1431365620 /nfs/dbraw/zinc/36/56/20/1431365620.db2.gz HMVDGSAOORMTSU-GOSISDBHSA-N 0 1 389.496 3.046 20 0 GGADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCC(Cn2cncn2)CC1 ZINC000186271310 1431367510 /nfs/dbraw/zinc/36/75/10/1431367510.db2.gz IIQUVUCMOAGGAK-OAQYLSRUSA-N 0 1 375.476 3.370 20 0 GGADMN Cc1cc2occ(C(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)c2cc1C ZINC000186271695 1431367956 /nfs/dbraw/zinc/36/79/56/1431367956.db2.gz NTVVIXKFOXTFCC-MOPGFXCFSA-N 0 1 378.472 3.415 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186274094 1431369040 /nfs/dbraw/zinc/36/90/40/1431369040.db2.gz BZLRSBXHOIHHBX-CQSZACIVSA-N 0 1 393.409 3.331 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)n2)cc1 ZINC000186278204 1431370124 /nfs/dbraw/zinc/37/01/24/1431370124.db2.gz QDCQHWFFHZEKTL-KBXCAEBGSA-N 0 1 392.463 3.168 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)n[nH]2)cc1 ZINC000186278204 1431370131 /nfs/dbraw/zinc/37/01/31/1431370131.db2.gz QDCQHWFFHZEKTL-KBXCAEBGSA-N 0 1 392.463 3.168 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccnc(Cl)c1 ZINC000186278637 1431370365 /nfs/dbraw/zinc/37/03/65/1431370365.db2.gz FKDLJVDTPBOESY-CQSZACIVSA-N 0 1 379.913 3.468 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000186297839 1431374737 /nfs/dbraw/zinc/37/47/37/1431374737.db2.gz MSPBQWRRRRXNSK-UHFFFAOYSA-N 0 1 391.258 3.413 20 0 GGADMN CCN(C(=O)c1csc(-c2cnccn2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186299518 1431375299 /nfs/dbraw/zinc/37/52/99/1431375299.db2.gz OBOGIOAEVAJGDL-QGZVFWFLSA-N 0 1 393.516 3.337 20 0 GGADMN COc1ccccc1COC1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000186302727 1431376816 /nfs/dbraw/zinc/37/68/16/1431376816.db2.gz NSDSZRMTXXEVHY-UHFFFAOYSA-N 0 1 392.459 3.302 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CC(C)(C)CC(=O)c3ccc(C)cc3)C2)CC1 ZINC000186306691 1431377609 /nfs/dbraw/zinc/37/76/09/1431377609.db2.gz BYQLPYIVFCGEJE-NRFANRHFSA-N 0 1 399.579 3.223 20 0 GGADMN Cc1nc([C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)c2ccc(Cl)cc2)no1 ZINC000186307305 1431378013 /nfs/dbraw/zinc/37/80/13/1431378013.db2.gz MPVGHJUFCSVXDE-INIZCTEOSA-N 0 1 394.822 3.336 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN[C@H]3CCCO[C@H]3CC(C)C)nc2c1 ZINC000186308490 1431378256 /nfs/dbraw/zinc/37/82/56/1431378256.db2.gz HIBOBIIMJVBHGO-YJBOKZPZSA-N 0 1 380.510 3.305 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN[C@H]3CCCO[C@@H]3CC(C)C)nc2c1 ZINC000186308446 1431378289 /nfs/dbraw/zinc/37/82/89/1431378289.db2.gz HIBOBIIMJVBHGO-MAUKXSAKSA-N 0 1 380.510 3.305 20 0 GGADMN CCCN1C(=O)CCc2cc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)ccc21 ZINC000186311636 1431378974 /nfs/dbraw/zinc/37/89/74/1431378974.db2.gz IQXXUOYEYQGOPA-UHFFFAOYSA-N 0 1 375.432 3.413 20 0 GGADMN C[C@H]1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c2c(O)cccc21 ZINC000186314946 1431380135 /nfs/dbraw/zinc/38/01/35/1431380135.db2.gz ZTDJAUIMYHUZLH-ZDUSSCGKSA-N 0 1 395.484 3.321 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186324634 1431382845 /nfs/dbraw/zinc/38/28/45/1431382845.db2.gz AFMLNZRRQXCBQQ-QGZVFWFLSA-N 0 1 386.814 3.478 20 0 GGADMN CCN(C(=O)c1nc(-c2cnn(C)c2)oc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186333694 1431385487 /nfs/dbraw/zinc/38/54/87/1431385487.db2.gz LUARRQZNRCIFAT-LJQANCHMSA-N 0 1 393.491 3.120 20 0 GGADMN COc1ccc(CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H](CO)C(C)C)cc1 ZINC000186333307 1431385720 /nfs/dbraw/zinc/38/57/20/1431385720.db2.gz AVRIEDCJNWMGHQ-HXUWFJFHSA-N 0 1 394.475 3.140 20 0 GGADMN C[C@@H]1CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c2c(O)cccc21 ZINC000186340609 1431387352 /nfs/dbraw/zinc/38/73/52/1431387352.db2.gz JGGGLOSDAZULGH-QGZVFWFLSA-N 0 1 379.504 3.294 20 0 GGADMN COCCC1(CNC(=O)NC2CCN(Cc3ccccn3)CC2)CCCCC1 ZINC000186347341 1431388747 /nfs/dbraw/zinc/38/87/47/1431388747.db2.gz IGGWHKYPWCUYGG-UHFFFAOYSA-N 0 1 388.556 3.332 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc2ccccc2c1 ZINC000186355676 1431390718 /nfs/dbraw/zinc/39/07/18/1431390718.db2.gz LOYMVFGRLISTID-IBGZPJMESA-N 0 1 386.411 3.269 20 0 GGADMN O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186359108 1431391291 /nfs/dbraw/zinc/39/12/91/1431391291.db2.gz MFDHMDHBGXMLIK-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000186359354 1431391379 /nfs/dbraw/zinc/39/13/79/1431391379.db2.gz GOOFZOGKQKPYOA-QGZVFWFLSA-N 0 1 376.460 3.046 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000186363058 1431392269 /nfs/dbraw/zinc/39/22/69/1431392269.db2.gz YLGDQRTVKCXEQM-LPHOPBHVSA-N 0 1 397.544 3.267 20 0 GGADMN Cc1nn(C)c(=O)c(-c2nc(CN[C@@H]3CCCO[C@@H]3CC(C)C)cs2)c1C ZINC000186365610 1431393325 /nfs/dbraw/zinc/39/33/25/1431393325.db2.gz GFKHEEXVXGCRDC-IAGOWNOFSA-N 0 1 390.553 3.204 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000186375336 1431395398 /nfs/dbraw/zinc/39/53/98/1431395398.db2.gz HBXJCQMYVRNNHO-CQSZACIVSA-N 0 1 390.505 3.091 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000186376448 1431395713 /nfs/dbraw/zinc/39/57/13/1431395713.db2.gz GRZTZQOPYLZOQG-ROUUACIJSA-N 0 1 381.538 3.213 20 0 GGADMN CCOc1ccc(-c2noc(CN[C@H](C)C3CCN(C(=O)OC)CC3)n2)cc1 ZINC000186391809 1431398894 /nfs/dbraw/zinc/39/88/94/1431398894.db2.gz KFJOJXNJARZSSI-CQSZACIVSA-N 0 1 388.468 3.092 20 0 GGADMN COC(=O)N1CCC([C@H](C)NCc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000186392219 1431399535 /nfs/dbraw/zinc/39/95/35/1431399535.db2.gz YXPUWJLNNWLCAZ-LBPRGKRZSA-N 0 1 378.860 3.347 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000186395611 1431400016 /nfs/dbraw/zinc/40/00/16/1431400016.db2.gz AYQHPGWOMHYACH-KRWDZBQOSA-N 0 1 393.409 3.304 20 0 GGADMN CCN(c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1)C(C)C ZINC000186417580 1431411281 /nfs/dbraw/zinc/41/12/81/1431411281.db2.gz PJBFJDQWUUYCGW-UHFFFAOYSA-N 0 1 390.431 3.481 20 0 GGADMN C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000186427881 1431415466 /nfs/dbraw/zinc/41/54/66/1431415466.db2.gz BXQCFQHTQPTDTM-OAHLLOKOSA-N 0 1 393.447 3.191 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000186430291 1431416482 /nfs/dbraw/zinc/41/64/82/1431416482.db2.gz ABXOGISVXOLUAS-UHFFFAOYSA-N 0 1 377.351 3.413 20 0 GGADMN C[C@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc2c(c1)OCCCO2 ZINC000186432090 1431417552 /nfs/dbraw/zinc/41/75/52/1431417552.db2.gz WSFJPAISKWUEPM-HNNXBMFYSA-N 0 1 380.448 3.396 20 0 GGADMN C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc2c(c1)OCCCO2 ZINC000186432090 1431417560 /nfs/dbraw/zinc/41/75/60/1431417560.db2.gz WSFJPAISKWUEPM-HNNXBMFYSA-N 0 1 380.448 3.396 20 0 GGADMN CCOC(=O)N1CCC([C@@H](C)NCc2nc(Cc3ccccc3C)no2)CC1 ZINC000186435412 1431419010 /nfs/dbraw/zinc/41/90/10/1431419010.db2.gz ORZNJQQKFBNAIM-MRXNPFEDSA-N 0 1 386.496 3.315 20 0 GGADMN C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000186438071 1431420048 /nfs/dbraw/zinc/42/00/48/1431420048.db2.gz RALRKHFDJVXROF-HNNXBMFYSA-N 0 1 393.447 3.191 20 0 GGADMN C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(Cl)c(Cl)c1O ZINC000186444543 1431421312 /nfs/dbraw/zinc/42/13/12/1431421312.db2.gz UVXTXQGFMYWFET-JTQLQIEISA-N 0 1 396.274 3.477 20 0 GGADMN CC1([C@H]2CCCN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)OCCO1 ZINC000186468713 1431428030 /nfs/dbraw/zinc/42/80/30/1431428030.db2.gz LYRXMHQWIQXXMY-WMLDXEAASA-N 0 1 398.425 3.286 20 0 GGADMN C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)N(C)C ZINC000186486240 1431433527 /nfs/dbraw/zinc/43/35/27/1431433527.db2.gz LRRDGYDDSHAYGO-MWTRTKDXSA-N 0 1 396.487 3.228 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(-c4cncnc4)cc3F)[nH]c21 ZINC000186486038 1431433723 /nfs/dbraw/zinc/43/37/23/1431433723.db2.gz LEADOHHGFLTVMM-UHFFFAOYSA-N 0 1 391.362 3.198 20 0 GGADMN Cc1c([C@@H](C)NCCc2nn(C)c3ccccc23)nnn1-c1ccc(F)cc1 ZINC000186490787 1431434765 /nfs/dbraw/zinc/43/47/65/1431434765.db2.gz DCBIBPAJRXOVMG-CQSZACIVSA-N 0 1 378.455 3.495 20 0 GGADMN CC(C)c1ccnc(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)n1 ZINC000186498638 1431437186 /nfs/dbraw/zinc/43/71/86/1431437186.db2.gz UJVCPDWTBXAVBN-UHFFFAOYSA-N 0 1 382.493 3.014 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NC3Cc4ccccc4C3)cc2)C[C@@H](C)O1 ZINC000186501989 1431438490 /nfs/dbraw/zinc/43/84/90/1431438490.db2.gz ADOATQVRBDYODO-QZTJIDSGSA-N 0 1 393.531 3.262 20 0 GGADMN COC(=O)c1ccccc1CCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186502514 1431439212 /nfs/dbraw/zinc/43/92/12/1431439212.db2.gz GKKIAQQACUWKBK-UHFFFAOYSA-N 0 1 375.415 3.278 20 0 GGADMN COc1ccc([C@@H](O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000186507419 1431441009 /nfs/dbraw/zinc/44/10/09/1431441009.db2.gz VAQCJSAIUIGUFM-ZDUSSCGKSA-N 0 1 377.853 3.264 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCCN(CCCCc2ccccc2)CC1 ZINC000186514189 1431443638 /nfs/dbraw/zinc/44/36/38/1431443638.db2.gz RSEAWLRTRFSNBG-UHFFFAOYSA-N 0 1 391.537 3.011 20 0 GGADMN O=C(NCC1(CCOCc2ccccc2)CC1)c1nnc2ccccc2c1O ZINC000186518285 1431444011 /nfs/dbraw/zinc/44/40/11/1431444011.db2.gz SPWVEDSHDHPKKL-UHFFFAOYSA-N 0 1 377.444 3.040 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cn(C)nc2-c2ccccc2)cc1 ZINC000186521460 1431445359 /nfs/dbraw/zinc/44/53/59/1431445359.db2.gz ZFVCUOXLIRDUCC-QGZVFWFLSA-N 0 1 383.517 3.348 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nnc[nH]2)cc1)OC(C)C ZINC000186524828 1431445658 /nfs/dbraw/zinc/44/56/58/1431445658.db2.gz XBQKLUGRAZRJIT-IBGZPJMESA-N 0 1 380.448 3.376 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccccc2c1=O)OC(C)C ZINC000186524560 1431445793 /nfs/dbraw/zinc/44/57/93/1431445793.db2.gz CIXSOMBMZIJJMA-FQEVSTJZSA-N 0 1 380.444 3.433 20 0 GGADMN C[C@@](O)(CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000186549765 1431451451 /nfs/dbraw/zinc/45/14/51/1431451451.db2.gz ADGYOVYRXZKRIA-GOSISDBHSA-N 0 1 396.274 3.235 20 0 GGADMN CCOc1ccc(OC[C@H](O)CNC(C)(C)c2nc3ccccc3n2C)cc1 ZINC000186559850 1431453882 /nfs/dbraw/zinc/45/38/82/1431453882.db2.gz SRWIKVBMIWCCOI-MRXNPFEDSA-N 0 1 383.492 3.237 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)C[C@@H](C)O1 ZINC000186575487 1431458224 /nfs/dbraw/zinc/45/82/24/1431458224.db2.gz REYKOILPOYPSLX-INMHGKMJSA-N 0 1 387.446 3.131 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCc2nc3cc(C(F)(F)F)ccc3n2C)C1(C)C ZINC000186580827 1431459895 /nfs/dbraw/zinc/45/98/95/1431459895.db2.gz RCOQVJVXQPMZRU-YJBOKZPZSA-N 0 1 385.430 3.248 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000186586490 1431461503 /nfs/dbraw/zinc/46/15/03/1431461503.db2.gz FXCSSLWKCOKXOG-DNVCBOLYSA-N 0 1 392.569 3.126 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000186586427 1431461556 /nfs/dbraw/zinc/46/15/56/1431461556.db2.gz FXCSSLWKCOKXOG-KXBFYZLASA-N 0 1 392.569 3.126 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000186587348 1431461572 /nfs/dbraw/zinc/46/15/72/1431461572.db2.gz PVASRZXRVQGADY-MGPUTAFESA-N 0 1 389.521 3.005 20 0 GGADMN COCOc1ccc(OC)cc1CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186588799 1431461950 /nfs/dbraw/zinc/46/19/50/1431461950.db2.gz WEQZABKNIAXDAR-UHFFFAOYSA-N 0 1 389.467 3.387 20 0 GGADMN COc1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000186587584 1431462059 /nfs/dbraw/zinc/46/20/59/1431462059.db2.gz FRPWDLQCVMROSE-UHFFFAOYSA-N 0 1 389.467 3.421 20 0 GGADMN C[C@@H](NS(=O)(=O)Cc1cccc2cccnc21)[C@H](c1ccccc1)N(C)C ZINC000186592561 1431463021 /nfs/dbraw/zinc/46/30/21/1431463021.db2.gz IZLGPFXJUFMHHS-IIBYNOLFSA-N 0 1 383.517 3.346 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCc2csc(-c3ccc4c(c3)OCO4)n2)C1(C)C ZINC000186593080 1431463032 /nfs/dbraw/zinc/46/30/32/1431463032.db2.gz LQUJNIVBXQLRHN-XLIONFOSSA-N 0 1 390.505 3.195 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCc2csc(-c3ccc(OC)cc3)n2)C1(C)C ZINC000186595566 1431463803 /nfs/dbraw/zinc/46/38/03/1431463803.db2.gz ZACXQRXDDNSTMI-YLJYHZDGSA-N 0 1 376.522 3.474 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCc2csc(-c3ccc(OC)cc3)n2)C1(C)C ZINC000186595581 1431463834 /nfs/dbraw/zinc/46/38/34/1431463834.db2.gz ZACXQRXDDNSTMI-FXAWDEMLSA-N 0 1 376.522 3.474 20 0 GGADMN CC[C@H](CN(CC)CC(=O)N[C@H](C(=O)NC)c1ccccc1)c1ccccc1 ZINC000186602615 1431465759 /nfs/dbraw/zinc/46/57/59/1431465759.db2.gz IVYCQHUUHAHIHY-GCJKJVERSA-N 0 1 381.520 3.106 20 0 GGADMN CC[C@H](CN(CC)CC(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 ZINC000186605201 1431466736 /nfs/dbraw/zinc/46/67/36/1431466736.db2.gz LBDGCQWGQNXZKQ-OAHLLOKOSA-N 0 1 389.521 3.313 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000186607244 1431467424 /nfs/dbraw/zinc/46/74/24/1431467424.db2.gz ZAPKCSIWHROQJH-AWEZNQCLSA-N 0 1 376.526 3.198 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000186607244 1431467430 /nfs/dbraw/zinc/46/74/30/1431467430.db2.gz ZAPKCSIWHROQJH-AWEZNQCLSA-N 0 1 376.526 3.198 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ncoc3-c3ccc(F)cc3)[nH]c21 ZINC000186609509 1431467770 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0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)C1(C)C ZINC000187351275 1431705849 /nfs/dbraw/zinc/70/58/49/1431705849.db2.gz VCFITUBVHJHSSV-XXBNENTESA-N 0 1 395.503 3.434 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000187353073 1431706283 /nfs/dbraw/zinc/70/62/83/1431706283.db2.gz RSCVATQAXQIDKX-WMZOPIPTSA-N 0 1 399.457 3.363 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187359281 1431707851 /nfs/dbraw/zinc/70/78/51/1431707851.db2.gz BEEZTPHXJFEZSY-NRFANRHFSA-N 0 1 389.515 3.391 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC([C@H]2CCCO2)CC1 ZINC000187359299 1431708017 /nfs/dbraw/zinc/70/80/17/1431708017.db2.gz BEEZTPHXJFEZSY-OAQYLSRUSA-N 0 1 389.515 3.391 20 0 GGADMN CCOC(=O)[C@@H](Cc1ccccc1)Nc1ccc(CCN2CCOCC2)cc1 ZINC000187361032 1431708476 /nfs/dbraw/zinc/70/84/76/1431708476.db2.gz OWQXSTCOJNVWHK-JOCHJYFZSA-N 0 1 382.504 3.148 20 0 GGADMN CN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)CC1(O)CCCCCC1 ZINC000187360771 1431708488 /nfs/dbraw/zinc/70/84/88/1431708488.db2.gz IDCPTHOTEXMINV-LJQANCHMSA-N 0 1 387.549 3.366 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(O)c4)CC3)n[nH]2)cc1C ZINC000187361965 1431708772 /nfs/dbraw/zinc/70/87/72/1431708772.db2.gz LSZZOONHAGRVSL-UHFFFAOYSA-N 0 1 376.460 3.362 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ncc(Cc3ccccc3F)s2)C1(C)C ZINC000187366679 1431710041 /nfs/dbraw/zinc/71/00/41/1431710041.db2.gz LHXLVHIHICNVNY-BEFAXECRSA-N 0 1 377.485 3.344 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1cscn1)c1cccc(C(F)(F)F)c1 ZINC000187373043 1431712410 /nfs/dbraw/zinc/71/24/10/1431712410.db2.gz XWZKCEUNQKJGOW-HNNXBMFYSA-N 0 1 386.443 3.307 20 0 GGADMN COc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)ccc1F ZINC000187374345 1431712723 /nfs/dbraw/zinc/71/27/23/1431712723.db2.gz NZFPFNVUYMZTMA-QGZVFWFLSA-N 0 1 396.422 3.321 20 0 GGADMN Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)s1 ZINC000187376247 1431713156 /nfs/dbraw/zinc/71/31/56/1431713156.db2.gz PGXDWNXVSHKECV-QZTJIDSGSA-N 0 1 395.528 3.417 20 0 GGADMN COc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1O ZINC000187376659 1431713459 /nfs/dbraw/zinc/71/34/59/1431713459.db2.gz NCQMAZBHMBIEQV-AWEZNQCLSA-N 0 1 380.366 3.315 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C ZINC000187384903 1431715290 /nfs/dbraw/zinc/71/52/90/1431715290.db2.gz KLSLATDHCXUVPE-LAUBAEHRSA-N 0 1 392.927 3.294 20 0 GGADMN CC[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccccc1OC(F)F ZINC000187408061 1431721325 /nfs/dbraw/zinc/72/13/25/1431721325.db2.gz JNRUNJAAXHFGGB-ZBFHGGJFSA-N 0 1 399.482 3.226 20 0 GGADMN CNC(=O)Cn1ccc2ccc(NC(=O)c3c[nH]nc3-c3ccsc3)cc21 ZINC000187413984 1431722833 /nfs/dbraw/zinc/72/28/33/1431722833.db2.gz BYJVSHGBQQNNJZ-UHFFFAOYSA-N 0 1 379.445 3.091 20 0 GGADMN O=C(NCc1ccc(Br)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000187420678 1431724600 /nfs/dbraw/zinc/72/46/00/1431724600.db2.gz VXCUYINXURJLRU-LLVKDONJSA-N 0 1 394.273 3.127 20 0 GGADMN Cc1ncsc1/C=C/C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000187427775 1431726719 /nfs/dbraw/zinc/72/67/19/1431726719.db2.gz ZFSBCZXOGLMYSF-KZQNYRHTSA-N 0 1 385.533 3.390 20 0 GGADMN COCc1cccc(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000187437216 1431730009 /nfs/dbraw/zinc/73/00/09/1431730009.db2.gz DTRFQODKXGZGAL-QGZVFWFLSA-N 0 1 399.510 3.144 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 ZINC000187451400 1431734688 /nfs/dbraw/zinc/73/46/88/1431734688.db2.gz FEESVGAFASFNNX-KBRIMQKVSA-N 0 1 387.446 3.158 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)C1(C)C ZINC000187453039 1431735213 /nfs/dbraw/zinc/73/52/13/1431735213.db2.gz BEIPOAGKZZTYHI-HRAATJIYSA-N 0 1 375.513 3.076 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCC(C)(C)CCO)c1cccc(C(F)(F)F)c1 ZINC000187454352 1431735600 /nfs/dbraw/zinc/73/56/00/1431735600.db2.gz UMOBRBZRLQVDBZ-HNNXBMFYSA-N 0 1 375.435 3.016 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000187458626 1431736852 /nfs/dbraw/zinc/73/68/52/1431736852.db2.gz DUWJCPFMAHJHOL-ROUUACIJSA-N 0 1 395.425 3.341 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C1(C)C ZINC000187460540 1431737898 /nfs/dbraw/zinc/73/78/98/1431737898.db2.gz WUUJDNHNUGXQRM-AVRDEDQJSA-N 0 1 387.524 3.174 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187461440 1431738204 /nfs/dbraw/zinc/73/82/04/1431738204.db2.gz ZPKOZECPVBZJLJ-NVXWUHKLSA-N 0 1 375.435 3.158 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187463190 1431738579 /nfs/dbraw/zinc/73/85/79/1431738579.db2.gz BVLGNMLMXKCFPQ-SFHVURJKSA-N 0 1 396.535 3.016 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187463190 1431738585 /nfs/dbraw/zinc/73/85/85/1431738585.db2.gz BVLGNMLMXKCFPQ-SFHVURJKSA-N 0 1 396.535 3.016 20 0 GGADMN C[C@H](O)C1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187464231 1431739034 /nfs/dbraw/zinc/73/90/34/1431739034.db2.gz ZGZWEBFKUWKVRE-GUYCJALGSA-N 0 1 387.446 3.111 20 0 GGADMN C[C@@H](O)C1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187464283 1431739054 /nfs/dbraw/zinc/73/90/54/1431739054.db2.gz ZGZWEBFKUWKVRE-CXAGYDPISA-N 0 1 387.446 3.111 20 0 GGADMN C[C@@H](CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C[C@H](C)O ZINC000187464350 1431739330 /nfs/dbraw/zinc/73/93/30/1431739330.db2.gz JIWLSEKRTIHBRO-WWGRRREGSA-N 0 1 375.435 3.014 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000187468488 1431740654 /nfs/dbraw/zinc/74/06/54/1431740654.db2.gz BKXSRDDMWPECOH-UHFFFAOYSA-N 0 1 380.920 3.174 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)C[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000187468932 1431740780 /nfs/dbraw/zinc/74/07/80/1431740780.db2.gz GCHWIIQHDYHMRP-RHSMWYFYSA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCOC[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000187473117 1431741785 /nfs/dbraw/zinc/74/17/85/1431741785.db2.gz BUMICAUAQSKAIT-DLBZAZTESA-N 0 1 385.430 3.129 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCC([C@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000187474595 1431742512 /nfs/dbraw/zinc/74/25/12/1431742512.db2.gz CVOCRVHAQFKKLJ-RTBURBONSA-N 0 1 375.513 3.326 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1(C)C ZINC000187475569 1431743103 /nfs/dbraw/zinc/74/31/03/1431743103.db2.gz ONUSRETYIZYONI-UTKZUKDTSA-N 0 1 385.464 3.311 20 0 GGADMN Cc1cc(CN2CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)no1 ZINC000187483928 1431745252 /nfs/dbraw/zinc/74/52/52/1431745252.db2.gz GSNUBMYEWVDFBN-UHFFFAOYSA-N 0 1 391.884 3.046 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)C1(C)C ZINC000187501314 1431749799 /nfs/dbraw/zinc/74/97/99/1431749799.db2.gz DHDOIHVYQLSYTR-CRAIPNDOSA-N 0 1 396.413 3.362 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000187504412 1431750128 /nfs/dbraw/zinc/75/01/28/1431750128.db2.gz LCSDBIOLJKBJIJ-QZTJIDSGSA-N 0 1 398.400 3.167 20 0 GGADMN CC[C@@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CCN1C[C@@H](C)O ZINC000187511079 1431752316 /nfs/dbraw/zinc/75/23/16/1431752316.db2.gz IMZNRZIMQGTYRS-RHSMWYFYSA-N 0 1 384.442 3.041 20 0 GGADMN CC[C@]1(CO)CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000187518755 1431754847 /nfs/dbraw/zinc/75/48/47/1431754847.db2.gz WECPDBYYEIQPMP-AEFFLSMTSA-N 0 1 386.414 3.175 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1CC ZINC000187526511 1431756751 /nfs/dbraw/zinc/75/67/51/1431756751.db2.gz GZWWZOTWIROINQ-UHFFFAOYSA-N 0 1 376.478 3.150 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1CC ZINC000187527153 1431757002 /nfs/dbraw/zinc/75/70/02/1431757002.db2.gz ISYMLJUKBULCKG-UHFFFAOYSA-N 0 1 376.478 3.150 20 0 GGADMN C[C@H](NCCN1C(=O)CNC1=O)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000187546977 1431763311 /nfs/dbraw/zinc/76/33/11/1431763311.db2.gz XDCLZILDJXLKAM-LBPRGKRZSA-N 0 1 391.830 3.474 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1(C)C ZINC000187546321 1431763352 /nfs/dbraw/zinc/76/33/52/1431763352.db2.gz NPRGFKOBEYRJSF-XMSQKQJNSA-N 0 1 381.476 3.410 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1(C)C ZINC000187546333 1431763582 /nfs/dbraw/zinc/76/35/82/1431763582.db2.gz NPRGFKOBEYRJSF-PGRDOPGGSA-N 0 1 381.476 3.410 20 0 GGADMN CC[C@]1(CO)CCCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000187549908 1431764522 /nfs/dbraw/zinc/76/45/22/1431764522.db2.gz YOTWGNAJVYNEGL-XLIONFOSSA-N 0 1 382.451 3.268 20 0 GGADMN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1F ZINC000187556728 1431765904 /nfs/dbraw/zinc/76/59/04/1431765904.db2.gz GKYREDUNOCHCPX-UHFFFAOYSA-N 0 1 384.860 3.014 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(c2cccc(O)c2)CC1 ZINC000187570059 1431770240 /nfs/dbraw/zinc/77/02/40/1431770240.db2.gz YZVIYUDLZZKHAW-UHFFFAOYSA-N 0 1 388.880 3.460 20 0 GGADMN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2nc3cc(C)ccc3n2C)c1 ZINC000187575544 1431771118 /nfs/dbraw/zinc/77/11/18/1431771118.db2.gz KMMJGNGBENWYLY-HNNXBMFYSA-N 0 1 396.491 3.406 20 0 GGADMN COC(=O)COc1c(C)cc(CNCc2nc3cc(C)ccc3n2C)cc1C ZINC000187582008 1431772567 /nfs/dbraw/zinc/77/25/67/1431772567.db2.gz JWCVCMUJRIWPSF-UHFFFAOYSA-N 0 1 381.476 3.340 20 0 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3.247 20 0 GGADMN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)nc(C(F)(F)F)n1 ZINC000187638558 1431785516 /nfs/dbraw/zinc/78/55/16/1431785516.db2.gz ULMHVJOLGASUKZ-UHFFFAOYSA-N 0 1 378.398 3.152 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)[nH]n2)cc1C ZINC000187641249 1431786268 /nfs/dbraw/zinc/78/62/68/1431786268.db2.gz AMBINTQVTJMLTJ-UHFFFAOYSA-N 0 1 384.461 3.317 20 0 GGADMN CCc1noc(C2CCC(NCC(F)(F)CNC(=O)OC(C)(C)C)CC2)n1 ZINC000187645988 1431786649 /nfs/dbraw/zinc/78/66/49/1431786649.db2.gz SRKQZHSKZFDPGS-UHFFFAOYSA-N 0 1 388.459 3.408 20 0 GGADMN CCOC(C)(C)CNC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000187651604 1431788718 /nfs/dbraw/zinc/78/87/18/1431788718.db2.gz QUXGIQKEQOGDJI-SFHVURJKSA-N 0 1 377.529 3.337 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc3n[nH]nc32)c1 ZINC000187651749 1431789176 /nfs/dbraw/zinc/78/91/76/1431789176.db2.gz CVRCHQDDBSMRKX-UHFFFAOYSA-N 0 1 392.463 3.025 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000187658710 1431791956 /nfs/dbraw/zinc/79/19/56/1431791956.db2.gz SEIQXCXRZFTMDV-CYBMUJFWSA-N 0 1 392.394 3.167 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CC2(O)CCCCCC2)CC1 ZINC000187667351 1431794239 /nfs/dbraw/zinc/79/42/39/1431794239.db2.gz GXQODXHJYDLBCH-GOSISDBHSA-N 0 1 388.556 3.334 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC([C@H]3CCCO3)CC2)CC1 ZINC000187672069 1431796072 /nfs/dbraw/zinc/79/60/72/1431796072.db2.gz BYKIBQFCDHAFSE-DYESRHJHSA-N 0 1 386.540 3.208 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)NCCN3CCCOCC3)cn2)cc1C ZINC000187673035 1431796100 /nfs/dbraw/zinc/79/61/00/1431796100.db2.gz ZTWRNYRDSHJGEN-UHFFFAOYSA-N 0 1 384.480 3.335 20 0 GGADMN CCOC(C)(C)CNC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000187690005 1431800735 /nfs/dbraw/zinc/80/07/35/1431800735.db2.gz FAYIZAISKVCWFT-UHFFFAOYSA-N 0 1 382.936 3.419 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000187720848 1431803673 /nfs/dbraw/zinc/80/36/73/1431803673.db2.gz PEHXMWUVDWBSFN-FXAWDEMLSA-N 0 1 387.524 3.024 20 0 GGADMN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H](C)CN1CCCCCC1 ZINC000187725182 1431804190 /nfs/dbraw/zinc/80/41/90/1431804190.db2.gz WDVNJBXIFRRTJV-AWEZNQCLSA-N 0 1 385.505 3.005 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)N(CC)CC)CC1 ZINC000187727098 1431804483 /nfs/dbraw/zinc/80/44/83/1431804483.db2.gz UQJUIYOAAONVMR-PXNSSMCTSA-N 0 1 389.540 3.443 20 0 GGADMN CC(C)Oc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1Cl ZINC000187729377 1431804667 /nfs/dbraw/zinc/80/46/67/1431804667.db2.gz ILHAIXOQGYDCNV-UHFFFAOYSA-N 0 1 380.916 3.198 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)C1(C)C ZINC000187737520 1431806121 /nfs/dbraw/zinc/80/61/21/1431806121.db2.gz FZIPHUZMNQCOPI-HRAATJIYSA-N 0 1 375.513 3.451 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC000187742198 1431806609 /nfs/dbraw/zinc/80/66/09/1431806609.db2.gz WJRFKBCOMGDZHU-LPHOPBHVSA-N 0 1 375.513 3.053 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000187743302 1431806758 /nfs/dbraw/zinc/80/67/58/1431806758.db2.gz HAKABGXFWQTAPV-UHFFFAOYSA-N 0 1 381.428 3.285 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(C(C)(C)O)cc2)N2CCCC2)o1 ZINC000187743220 1431806831 /nfs/dbraw/zinc/80/68/31/1431806831.db2.gz CUNMXHZFXLQQTD-LJQANCHMSA-N 0 1 385.508 3.452 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)n3)ccc21 ZINC000187751963 1431808263 /nfs/dbraw/zinc/80/82/63/1431808263.db2.gz FIGGXTJZZFHGFH-UHFFFAOYSA-N 0 1 386.260 3.098 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187752670 1431808362 /nfs/dbraw/zinc/80/83/62/1431808362.db2.gz PNVMKEXMGDNVRD-UHFFFAOYSA-N 0 1 383.345 3.257 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000187752619 1431808397 /nfs/dbraw/zinc/80/83/97/1431808397.db2.gz KTRQESDMUVHKAD-UHFFFAOYSA-N 0 1 385.895 3.462 20 0 GGADMN CN(C)C(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000187764521 1431809735 /nfs/dbraw/zinc/80/97/35/1431809735.db2.gz KSBJOXZRUBZMNV-UHFFFAOYSA-N 0 1 388.880 3.423 20 0 GGADMN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN1Cc1ccccc1 ZINC000187766543 1431809907 /nfs/dbraw/zinc/80/99/07/1431809907.db2.gz YSMJYVHMIIAUNU-SCTDSRPQSA-N 0 1 384.442 3.251 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C1(C)C ZINC000187774655 1431810862 /nfs/dbraw/zinc/81/08/62/1431810862.db2.gz GANDAYGIIHHUCQ-YJBOKZPZSA-N 0 1 396.413 3.362 20 0 GGADMN CCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@H](C)Cc1ccsc1 ZINC000187790250 1431812789 /nfs/dbraw/zinc/81/27/89/1431812789.db2.gz KMVGCVYTUSGKNF-QGZVFWFLSA-N 0 1 399.560 3.444 20 0 GGADMN Cc1cccc(Oc2ncccc2NC(=O)NCCN2CCCOCC2)c1C ZINC000187792779 1431813075 /nfs/dbraw/zinc/81/30/75/1431813075.db2.gz YZVFFMHBCAKYTG-UHFFFAOYSA-N 0 1 384.480 3.335 20 0 GGADMN CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H](C)Cc1ccsc1 ZINC000187796710 1431813488 /nfs/dbraw/zinc/81/34/88/1431813488.db2.gz DSZLWXWUEYPJJB-INIZCTEOSA-N 0 1 399.560 3.210 20 0 GGADMN CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H](C)Cc1ccsc1 ZINC000187796731 1431813515 /nfs/dbraw/zinc/81/35/15/1431813515.db2.gz DSZLWXWUEYPJJB-MRXNPFEDSA-N 0 1 399.560 3.210 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1c(Cl)cnn1C ZINC000187796481 1431813564 /nfs/dbraw/zinc/81/35/64/1431813564.db2.gz NOJSZIUOJOJIGH-AWEZNQCLSA-N 0 1 375.904 3.181 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN(CC)[C@H](C)Cc1ccsc1 ZINC000187799745 1431813784 /nfs/dbraw/zinc/81/37/84/1431813784.db2.gz CBINDJVXPJJBEH-MRXNPFEDSA-N 0 1 387.549 3.318 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)C1(C)C ZINC000187809441 1431814979 /nfs/dbraw/zinc/81/49/79/1431814979.db2.gz GWZHAPFCJBNSJG-NQIIRXRSSA-N 0 1 376.497 3.024 20 0 GGADMN COCc1cccc(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1 ZINC000187812785 1431815449 /nfs/dbraw/zinc/81/54/49/1431815449.db2.gz IXJHZRCAWXFTDC-UHFFFAOYSA-N 0 1 382.504 3.119 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(Cc2cccnc2)CC1 ZINC000187824818 1431816789 /nfs/dbraw/zinc/81/67/89/1431816789.db2.gz NZSVNXWSLHJNFZ-UHFFFAOYSA-N 0 1 387.896 3.145 20 0 GGADMN COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(OCC2CC2)c1 ZINC000187833140 1431817823 /nfs/dbraw/zinc/81/78/23/1431817823.db2.gz KZPCYWQAVJRQHC-INIZCTEOSA-N 0 1 396.491 3.499 20 0 GGADMN CO[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000187875719 1431822674 /nfs/dbraw/zinc/82/26/74/1431822674.db2.gz MFYQOFOCEXAYRG-BRWVUGGUSA-N 0 1 385.430 3.146 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000187899360 1431825596 /nfs/dbraw/zinc/82/55/96/1431825596.db2.gz UGXDSAACXBIWBR-UHFFFAOYSA-N 0 1 390.871 3.371 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)NCC3(N4CCOCC4)CCCCC3)c21 ZINC000187907419 1431826248 /nfs/dbraw/zinc/82/62/48/1431826248.db2.gz BJCSMDKRJYFYGY-UHFFFAOYSA-N 0 1 399.535 3.260 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)C1(C)C ZINC000187921401 1431827593 /nfs/dbraw/zinc/82/75/93/1431827593.db2.gz VVGSEWJLCMDPMB-UGSOOPFHSA-N 0 1 394.928 3.253 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000187943979 1431829880 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Cc1ccc(C(=O)CCC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000188069021 1431842261 /nfs/dbraw/zinc/84/22/61/1431842261.db2.gz CAQLFJMRRHYKMO-DEOSSOPVSA-N 0 1 394.515 3.053 20 0 GGADMN C[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188082415 1431844073 /nfs/dbraw/zinc/84/40/73/1431844073.db2.gz DCBKCRZCWHBWSQ-QGZVFWFLSA-N 0 1 389.293 3.388 20 0 GGADMN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000188081454 1431844116 /nfs/dbraw/zinc/84/41/16/1431844116.db2.gz XUOQTEMUGLFRMP-UHFFFAOYSA-N 0 1 385.349 3.404 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)c1ccc(F)cc1 ZINC000188084603 1431844506 /nfs/dbraw/zinc/84/45/06/1431844506.db2.gz AIQXPLQOLKYUEQ-ROUUACIJSA-N 0 1 375.419 3.391 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(OC4COC4)cc3)[nH]2)c1 ZINC000188108877 1431847505 /nfs/dbraw/zinc/84/75/05/1431847505.db2.gz SYGNEVBTVCLMMN-UHFFFAOYSA-N 0 1 379.416 3.424 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000188110816 1431847747 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GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(OCCC(N)=O)cc3)[nH]n2)cc1C ZINC000188169669 1431856024 /nfs/dbraw/zinc/85/60/24/1431856024.db2.gz GKQKUDXZBBRIMP-UHFFFAOYSA-N 0 1 378.432 3.200 20 0 GGADMN CCc1ccccc1N(C(C)=O)c1nc(Cn2nc(SC)[nH]c2=O)cs1 ZINC000188174279 1431856970 /nfs/dbraw/zinc/85/69/70/1431856970.db2.gz UFAKAHBBUCXKTI-UHFFFAOYSA-N 0 1 389.506 3.045 20 0 GGADMN CCOc1c(Cl)cccc1CC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000188190376 1431858454 /nfs/dbraw/zinc/85/84/54/1431858454.db2.gz IPXDUKFSYVKVAM-MRXNPFEDSA-N 0 1 394.943 3.431 20 0 GGADMN COC[C@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000188189015 1431858597 /nfs/dbraw/zinc/85/85/97/1431858597.db2.gz IVVIQAINWWXAKA-PGRDOPGGSA-N 0 1 382.504 3.195 20 0 GGADMN COCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000188196738 1431859425 /nfs/dbraw/zinc/85/94/25/1431859425.db2.gz UTNNTQXJVMOAEV-LJQANCHMSA-N 0 1 398.503 3.115 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cnns2)c1 ZINC000188196567 1431859476 /nfs/dbraw/zinc/85/94/76/1431859476.db2.gz WELKBLQIIVKDIY-UHFFFAOYSA-N 0 1 388.474 3.208 20 0 GGADMN CC(C)[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(CC(F)F)c3)c2C1 ZINC000188195285 1431859491 /nfs/dbraw/zinc/85/94/91/1431859491.db2.gz NPEPSOQMVXUZRA-CYBMUJFWSA-N 0 1 398.479 3.309 20 0 GGADMN CC(C)[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(CC(F)F)c3)c2C1 ZINC000188195285 1431859492 /nfs/dbraw/zinc/85/94/92/1431859492.db2.gz NPEPSOQMVXUZRA-CYBMUJFWSA-N 0 1 398.479 3.309 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)nc(C(F)(F)F)n1 ZINC000188213268 1431861495 /nfs/dbraw/zinc/86/14/95/1431861495.db2.gz MDNROUNMMTYUMY-OAHLLOKOSA-N 0 1 378.398 3.198 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC(OC[C@H]4CCCO4)CC3)n[nH]2)cc1C ZINC000188237908 1431864730 /nfs/dbraw/zinc/86/47/30/1431864730.db2.gz OMGYEHLYUZKHBA-LJQANCHMSA-N 0 1 383.492 3.494 20 0 GGADMN CCNC(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000188262167 1431866936 /nfs/dbraw/zinc/86/69/36/1431866936.db2.gz NRALIEJJLZXAIX-UHFFFAOYSA-N 0 1 388.880 3.471 20 0 GGADMN O=C1C[C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000188280841 1431869167 /nfs/dbraw/zinc/86/91/67/1431869167.db2.gz JHTGIDBQMIJPEI-DYESRHJHSA-N 0 1 378.451 3.277 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000188299481 1431871019 /nfs/dbraw/zinc/87/10/19/1431871019.db2.gz RWFSILXCRJRNNY-UHFFFAOYSA-N 0 1 390.871 3.371 20 0 GGADMN COC[C@H](Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C1CCOCC1 ZINC000188327356 1431873626 /nfs/dbraw/zinc/87/36/26/1431873626.db2.gz VSHNSIALFKUMFT-NRFANRHFSA-N 0 1 389.540 3.355 20 0 GGADMN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188348655 1431875859 /nfs/dbraw/zinc/87/58/59/1431875859.db2.gz BZQRDFQIEIAKKL-LBPRGKRZSA-N 0 1 381.398 3.434 20 0 GGADMN Cc1ccc2cc(CN3CCC[C@H](S(=O)(=O)NC4CCCC4)C3)ccc2n1 ZINC000188351959 1431876145 /nfs/dbraw/zinc/87/61/45/1431876145.db2.gz UDSNGELDQNULNI-FQEVSTJZSA-N 0 1 387.549 3.370 20 0 GGADMN COc1ccc(CNC(=O)Cc2n[nH]c3c2CCCC3)cc1OC1CCCC1 ZINC000188359674 1431876575 /nfs/dbraw/zinc/87/65/75/1431876575.db2.gz AECBMKJBPADCBO-UHFFFAOYSA-N 0 1 383.492 3.477 20 0 GGADMN CSCc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000188370839 1431878054 /nfs/dbraw/zinc/87/80/54/1431878054.db2.gz PPWIHDVFJNXSQL-UHFFFAOYSA-N 0 1 386.521 3.032 20 0 GGADMN CNC(=O)c1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c1 ZINC000188371635 1431878213 /nfs/dbraw/zinc/87/82/13/1431878213.db2.gz KCFORBMQKGTSER-UHFFFAOYSA-N 0 1 378.432 3.314 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)n[nH]2)cc1C ZINC000188378633 1431879006 /nfs/dbraw/zinc/87/90/06/1431879006.db2.gz VUCGKYNWIVFRFH-GOSISDBHSA-N 0 1 380.492 3.072 20 0 GGADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1[nH]nc2c1CNCC2)C1CC1 ZINC000188402314 1431881274 /nfs/dbraw/zinc/88/12/74/1431881274.db2.gz ZAKOFOFZUIQGRT-NSHDSACASA-N 0 1 378.398 3.440 20 0 GGADMN Cc1ccc(CNC(=O)Cc2n[nH]c3c2CCCC3)c(OCC(F)(F)F)c1 ZINC000188416226 1431882392 /nfs/dbraw/zinc/88/23/92/1431882392.db2.gz PQNXDVRDCPYDCU-UHFFFAOYSA-N 0 1 381.398 3.397 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2C(F)(F)F)CC1 ZINC000188423357 1431883084 /nfs/dbraw/zinc/88/30/84/1431883084.db2.gz KQNYTDLHMBDANE-ZDUSSCGKSA-N 0 1 378.398 3.451 20 0 GGADMN Cc1ccccc1-c1cc(C(=O)N2CCN[C@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000188427507 1431883300 /nfs/dbraw/zinc/88/33/00/1431883300.db2.gz NETKELCYEJWDFJ-MRXNPFEDSA-N 0 1 377.492 3.422 20 0 GGADMN O=C(Nc1cccc(OCCn2cncn2)c1)c1c[nH]nc1-c1ccsc1 ZINC000188426102 1431883344 /nfs/dbraw/zinc/88/33/44/1431883344.db2.gz JDFRTGOHQWFKMK-UHFFFAOYSA-N 0 1 380.433 3.061 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000188436574 1431883980 /nfs/dbraw/zinc/88/39/80/1431883980.db2.gz IJIMHVKLSHDCBK-APWZRJJASA-N 0 1 377.847 3.270 20 0 GGADMN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN[C@H](C)C2)cc1 ZINC000188436936 1431884205 /nfs/dbraw/zinc/88/42/05/1431884205.db2.gz WHESIKHXKDFXOO-QGZVFWFLSA-N 0 1 390.487 3.041 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2c(Cl)cccc2OC)CC1 ZINC000188461025 1431886015 /nfs/dbraw/zinc/88/60/15/1431886015.db2.gz BODNJNIXTUZHTG-AWEZNQCLSA-N 0 1 396.915 3.019 20 0 GGADMN C#Cc1cccc(NC(=O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000188459595 1431886035 /nfs/dbraw/zinc/88/60/35/1431886035.db2.gz MMTZPJFTWBJSPB-UHFFFAOYSA-N 0 1 384.848 3.141 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000188469967 1431886821 /nfs/dbraw/zinc/88/68/21/1431886821.db2.gz KQFIUTWQCFSPFE-QZTJIDSGSA-N 0 1 398.400 3.167 20 0 GGADMN Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCN[C@H](C)C3)[C@@H]2c2cccs2)cc1 ZINC000188481874 1431887816 /nfs/dbraw/zinc/88/78/16/1431887816.db2.gz HFWCCQKCCUFFCK-HGHGUNKESA-N 0 1 397.544 3.361 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)[C@H]1C[C@H](F)CN1 ZINC000188494219 1431889017 /nfs/dbraw/zinc/88/90/17/1431889017.db2.gz VAMTUTWJVFHXEI-SXLOBPIMSA-N 0 1 381.451 3.302 20 0 GGADMN CCSc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1 ZINC000188519666 1431891402 /nfs/dbraw/zinc/89/14/02/1431891402.db2.gz DZJPHEIKWQMENB-JKSUJKDBSA-N 0 1 379.570 3.346 20 0 GGADMN C[C@H]1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@@H](C(N)=O)C1 ZINC000188520206 1431891477 /nfs/dbraw/zinc/89/14/77/1431891477.db2.gz LOCSDRZTVOLWGX-LAUBAEHRSA-N 0 1 379.504 3.045 20 0 GGADMN O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1[nH]nc2c1CNCC2 ZINC000188527207 1431891984 /nfs/dbraw/zinc/89/19/84/1431891984.db2.gz WPLRLOGMVGGSSG-OAHLLOKOSA-N 0 1 397.479 3.125 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000188525855 1431892023 /nfs/dbraw/zinc/89/20/23/1431892023.db2.gz UOTALYJHAHDCID-DNVCBOLYSA-N 0 1 377.504 3.154 20 0 GGADMN CCn1nccc1N1CCC[C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000188542364 1431893798 /nfs/dbraw/zinc/89/37/98/1431893798.db2.gz SEARQUQYBOXUGG-ROUUACIJSA-N 0 1 380.492 3.435 20 0 GGADMN COc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)ccc1NC(N)=O ZINC000188580445 1431897110 /nfs/dbraw/zinc/89/71/10/1431897110.db2.gz QORSMXSBPNDDKH-UHFFFAOYSA-N 0 1 379.420 3.445 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3CC(=O)c3ccco3)n[nH]2)cc1C ZINC000188594810 1431898579 /nfs/dbraw/zinc/89/85/79/1431898579.db2.gz LORWMLVKAGVITK-QGZVFWFLSA-N 0 1 393.443 3.401 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(SC(F)(F)F)cc2)CCN1CC(C)(C)O ZINC000188610695 1431899926 /nfs/dbraw/zinc/89/99/26/1431899926.db2.gz XSPKPNFOMUIDRK-LBPRGKRZSA-N 0 1 376.444 3.216 20 0 GGADMN CCN(c1ccccc1)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188629219 1431909706 /nfs/dbraw/zinc/90/97/06/1431909706.db2.gz SEKMKMKUJUHGJL-UHFFFAOYSA-N 0 1 375.476 3.143 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000188632492 1431910690 /nfs/dbraw/zinc/91/06/90/1431910690.db2.gz GWKDHLSEQVOQCQ-ZDUSSCGKSA-N 0 1 393.390 3.288 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)c(C(F)(F)F)c1 ZINC000188639205 1431914341 /nfs/dbraw/zinc/91/43/41/1431914341.db2.gz JPKBWQLNYAOCHY-UHFFFAOYSA-N 0 1 396.413 3.182 20 0 GGADMN Cc1ccc(C)n1-c1sccc1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000188649043 1431917854 /nfs/dbraw/zinc/91/78/54/1431917854.db2.gz GVVKEYYOAPTEGB-INIZCTEOSA-N 0 1 375.538 3.073 20 0 GGADMN Cc1cc(C)c2c(c1)CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)CC2 ZINC000188653081 1431919309 /nfs/dbraw/zinc/91/93/09/1431919309.db2.gz MUAORPWDVWBBQX-HSZRJFAPSA-N 0 1 378.516 3.386 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3ccc(Cl)cc3F)c2)CC1 ZINC000188655807 1431920337 /nfs/dbraw/zinc/92/03/37/1431920337.db2.gz XXYOBDRABANAPV-UHFFFAOYSA-N 0 1 375.875 3.157 20 0 GGADMN COc1cccc(Nc2ccccc2C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188656048 1431920585 /nfs/dbraw/zinc/92/05/85/1431920585.db2.gz ATAWLUQPHHIKGE-QGZVFWFLSA-N 0 1 397.519 3.356 20 0 GGADMN CCCCN(C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000188670561 1431927284 /nfs/dbraw/zinc/92/72/84/1431927284.db2.gz CKXXPPKDLOISCN-QGZVFWFLSA-N 0 1 389.521 3.123 20 0 GGADMN CCN(C[C@@H]1CCN(CN2CC[C@@](C)(c3ccccc3)C2=O)C1)CC(F)(F)F ZINC000188693825 1431935473 /nfs/dbraw/zinc/93/54/73/1431935473.db2.gz FPIKANPTHRZSBH-PXNSSMCTSA-N 0 1 397.485 3.340 20 0 GGADMN C[C@H]1CN(C(=O)COc2ccccc2-c2ccccc2)CCN1CC(C)(C)O ZINC000188704569 1431939110 /nfs/dbraw/zinc/93/91/10/1431939110.db2.gz BEHWJXPJKPVJED-SFHVURJKSA-N 0 1 382.504 3.036 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC(c2ccsc2)CC1 ZINC000188714003 1431942462 /nfs/dbraw/zinc/94/24/62/1431942462.db2.gz CVUHTEGRIXZZGR-UHFFFAOYSA-N 0 1 385.514 3.153 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CCN1CC(C)(C)O ZINC000188716342 1431943381 /nfs/dbraw/zinc/94/33/81/1431943381.db2.gz DDYDNKAVECLYPZ-CQSZACIVSA-N 0 1 384.442 3.041 20 0 GGADMN FC(F)C(F)(F)COCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000188718212 1431945175 /nfs/dbraw/zinc/94/51/75/1431945175.db2.gz XDQKQNXMHLTUFY-CYBMUJFWSA-N 0 1 378.414 3.101 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CN2CC[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000188720225 1431945989 /nfs/dbraw/zinc/94/59/89/1431945989.db2.gz WUAUETNGKJEDIH-DEOSSOPVSA-N 0 1 399.579 3.495 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cccnc3N3CCOCC3)[nH]n2)cc1C ZINC000188727877 1431947191 /nfs/dbraw/zinc/94/71/91/1431947191.db2.gz FGEAPMFGEOPPPO-UHFFFAOYSA-N 0 1 377.448 3.177 20 0 GGADMN CC(C)C[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)C(=O)OCc1ccccc1 ZINC000188726927 1431947697 /nfs/dbraw/zinc/94/76/97/1431947697.db2.gz JUAOLETZGWBFDN-FQEVSTJZSA-N 0 1 383.492 3.105 20 0 GGADMN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc(Br)o2)c1 ZINC000188728618 1431948542 /nfs/dbraw/zinc/94/85/42/1431948542.db2.gz WYUPWSBYESLGCA-LLVKDONJSA-N 0 1 395.253 3.336 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC000188728356 1431948729 /nfs/dbraw/zinc/94/87/29/1431948729.db2.gz LPZMDNQDCBMRAY-UHFFFAOYSA-N 0 1 390.509 3.012 20 0 GGADMN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1(c2nnc[nH]2)CCC1 ZINC000188761316 1431962619 /nfs/dbraw/zinc/96/26/19/1431962619.db2.gz OBKFHTFEKJYIOM-UHFFFAOYSA-N 0 1 386.843 3.026 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000188763575 1431963915 /nfs/dbraw/zinc/96/39/15/1431963915.db2.gz RWOPUNOYOUSTIN-UHFFFAOYSA-N 0 1 393.447 3.384 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cc(COC(C)(C)C)on1)c1cccc(F)c1 ZINC000188773966 1431968632 /nfs/dbraw/zinc/96/86/32/1431968632.db2.gz PIZICUSNJHSJKZ-GOSISDBHSA-N 0 1 392.475 3.231 20 0 GGADMN O=C(Cc1[nH]nc2c1CCCC2)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000188791376 1431977116 /nfs/dbraw/zinc/97/71/16/1431977116.db2.gz ZPNHSGCLPQXCBT-FQEVSTJZSA-N 0 1 386.927 3.438 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000188791376 1431977172 /nfs/dbraw/zinc/97/71/72/1431977172.db2.gz ZPNHSGCLPQXCBT-FQEVSTJZSA-N 0 1 386.927 3.438 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)N2CCCC2)c1 ZINC000188810286 1431984933 /nfs/dbraw/zinc/98/49/33/1431984933.db2.gz SRZQQLQTJNJAHG-IBGZPJMESA-N 0 1 391.475 3.047 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3CC(=O)c3cnn(C)c3)n[nH]2)cc1C ZINC000188818594 1431989183 /nfs/dbraw/zinc/98/91/83/1431989183.db2.gz UVTRDYXHTJCBNL-SFHVURJKSA-N 0 1 391.475 3.305 20 0 GGADMN COc1cc(Br)c(NC(=O)Cc2n[nH]c3c2CCCC3)cc1OC ZINC000188824963 1431991121 /nfs/dbraw/zinc/99/11/21/1431991121.db2.gz UKXDVRSDRHKVEJ-UHFFFAOYSA-N 0 1 394.269 3.249 20 0 GGADMN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188830613 1431992658 /nfs/dbraw/zinc/99/26/58/1431992658.db2.gz QURAAJIJEUSDPY-UHFFFAOYSA-N 0 1 380.492 3.451 20 0 GGADMN CC(C)(C)n1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)nn1 ZINC000188842168 1431995021 /nfs/dbraw/zinc/99/50/21/1431995021.db2.gz BZPYFMSYWAUBRL-UHFFFAOYSA-N 0 1 398.511 3.100 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1[nH]nc2c1CCCC2 ZINC000188851956 1431998009 /nfs/dbraw/zinc/99/80/09/1431998009.db2.gz FVHVYLXTEMMZPY-UHFFFAOYSA-N 0 1 384.549 3.327 20 0 GGADMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cccc2nn[nH]c21 ZINC000188854210 1431999305 /nfs/dbraw/zinc/99/93/05/1431999305.db2.gz ZMDLZQKQSJRVFK-UHFFFAOYSA-N 0 1 395.463 3.125 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CSC[C@@H]3C(=O)N(C)C(C)C)n[nH]2)c(C)c1 ZINC000188860653 1432000061 /nfs/dbraw/zinc/00/00/61/1432000061.db2.gz HSPWQUOZIGVBSL-GOSISDBHSA-N 0 1 386.521 3.075 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CSC[C@H]3C(=O)N(C)C(C)C)n[nH]2)c(C)c1 ZINC000188860673 1432000279 /nfs/dbraw/zinc/00/02/79/1432000279.db2.gz HSPWQUOZIGVBSL-SFHVURJKSA-N 0 1 386.521 3.075 20 0 GGADMN CCc1cccc2c(C3CCN(C(=O)c4[nH]nc5c4CNCC5)CC3)c[nH]c21 ZINC000188862759 1432000461 /nfs/dbraw/zinc/00/04/61/1432000461.db2.gz PZHHLDGIYZPBCE-UHFFFAOYSA-N 0 1 377.492 3.119 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000188871549 1432001935 /nfs/dbraw/zinc/00/19/35/1432001935.db2.gz NDLGWQVOUZOWKD-INIZCTEOSA-N 0 1 391.581 3.423 20 0 GGADMN CC(C)(C)c1ccc(Cn2nccc2NC(=O)NCCN2CCCOCC2)cc1 ZINC000188881812 1432003113 /nfs/dbraw/zinc/00/31/13/1432003113.db2.gz SJXHLGRMXGXHDF-UHFFFAOYSA-N 0 1 399.539 3.073 20 0 GGADMN CCOc1cc2c(cc1CNC(=O)c1n[nH]nc1-c1ccccc1)O[C@H](C)C2 ZINC000188892092 1432004209 /nfs/dbraw/zinc/00/42/09/1432004209.db2.gz GUZXZERKOURTMA-CYBMUJFWSA-N 0 1 378.432 3.124 20 0 GGADMN CCC(CC)N(CCOC)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000188921525 1432009220 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GGADMN C[C@H](NC(=O)c1n[nH]nc1-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000189028723 1432029924 /nfs/dbraw/zinc/02/99/24/1432029924.db2.gz FWHKRIJDLGLHMR-ZDUSSCGKSA-N 0 1 375.432 3.311 20 0 GGADMN COc1ccc(OC(F)F)c(CNCCN2CCc3ccccc3C2=O)c1 ZINC000189033631 1432031202 /nfs/dbraw/zinc/03/12/02/1432031202.db2.gz ATCOGWINYHGTMP-UHFFFAOYSA-N 0 1 376.403 3.085 20 0 GGADMN CCOc1cccc(CNCCN2CCc3ccccc3C2=O)c1OC(F)F ZINC000189035236 1432031569 /nfs/dbraw/zinc/03/15/69/1432031569.db2.gz VQRVSPCSMYXKEA-UHFFFAOYSA-N 0 1 390.430 3.475 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cnccc1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000189051082 1432034554 /nfs/dbraw/zinc/03/45/54/1432034554.db2.gz UDHRCKJLRVLCLA-FQEVSTJZSA-N 0 1 394.519 3.232 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cnccc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000189051062 1432034650 /nfs/dbraw/zinc/03/46/50/1432034650.db2.gz UDHRCKJLRVLCLA-HXUWFJFHSA-N 0 1 394.519 3.232 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cncc(C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000189050926 1432034698 /nfs/dbraw/zinc/03/46/98/1432034698.db2.gz GNFPWPCMPQZIAX-NRFANRHFSA-N 0 1 394.519 3.232 20 0 GGADMN COc1ccccc1[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccn1 ZINC000189053763 1432035474 /nfs/dbraw/zinc/03/54/74/1432035474.db2.gz ASCFEGYLFYPSPN-JOCHJYFZSA-N 0 1 376.460 3.140 20 0 GGADMN COc1ccccc1[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccn1 ZINC000189053743 1432035647 /nfs/dbraw/zinc/03/56/47/1432035647.db2.gz ASCFEGYLFYPSPN-QFIPXVFZSA-N 0 1 376.460 3.140 20 0 GGADMN Cc1nccn1-c1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cn1 ZINC000189056756 1432036434 /nfs/dbraw/zinc/03/64/34/1432036434.db2.gz OEZZVLNBVRRTHZ-UHFFFAOYSA-N 0 1 376.439 3.249 20 0 GGADMN COc1ccc(CC(C)(C)NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000189066502 1432038302 /nfs/dbraw/zinc/03/83/02/1432038302.db2.gz RBMYOCAHKLZDDM-UHFFFAOYSA-N 0 1 395.547 3.194 20 0 GGADMN Cc1nc([C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)c2ccc(Cl)cc2)no1 ZINC000189068951 1432038553 /nfs/dbraw/zinc/03/85/53/1432038553.db2.gz TVOHMFGPSSVLJP-SFHVURJKSA-N 0 1 385.855 3.082 20 0 GGADMN Cn1c2ccccc2nc1C(C#N)C(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000189069689 1432039215 /nfs/dbraw/zinc/03/92/15/1432039215.db2.gz MPFIQIJZTDALIA-HNNXBMFYSA-N 0 1 382.464 3.397 20 0 GGADMN Cc1cc(C(=O)NC2CCN(CCOCC(F)(F)C(F)(F)F)CC2)c(C)o1 ZINC000189075248 1432039884 /nfs/dbraw/zinc/03/98/84/1432039884.db2.gz HZAQIGOIAZYPJW-UHFFFAOYSA-N 0 1 398.372 3.305 20 0 GGADMN COc1cc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000189075994 1432040461 /nfs/dbraw/zinc/04/04/61/1432040461.db2.gz HQISLNYIWHFHHT-VQIMIIECSA-N 0 1 398.503 3.473 20 0 GGADMN C[C@@H](CN(C)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nn[nH]n1 ZINC000189084086 1432041621 /nfs/dbraw/zinc/04/16/21/1432041621.db2.gz YTETYBLLCJGQEQ-VIFPVBQESA-N 0 1 387.793 3.166 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H]3CCN(Cc4ccc(C)cc4)C3=O)c(C)n2n1 ZINC000189102271 1432045172 /nfs/dbraw/zinc/04/51/72/1432045172.db2.gz FLEZMTGLNPQJNO-OXJNMPFZSA-N 0 1 377.492 3.106 20 0 GGADMN COc1cc(CN(C)[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1O ZINC000189122014 1432048860 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O=C(NCCOc1ccc(C(F)(F)F)cc1)c1n[nH]nc1-c1ccccc1 ZINC000189158076 1432054485 /nfs/dbraw/zinc/05/44/85/1432054485.db2.gz HNNRMSBOMCYSKR-UHFFFAOYSA-N 0 1 376.338 3.299 20 0 GGADMN O=C(CN1CCC([C@@H]2CCCO2)CC1)NCc1ccc(F)cc1C(F)(F)F ZINC000189159865 1432054616 /nfs/dbraw/zinc/05/46/16/1432054616.db2.gz NFAPSBQJXRQMCG-KRWDZBQOSA-N 0 1 388.405 3.352 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1C(F)(F)F ZINC000189161796 1432055577 /nfs/dbraw/zinc/05/55/77/1432055577.db2.gz OCLJPVUNWRZDSL-CYBMUJFWSA-N 0 1 387.423 3.322 20 0 GGADMN O=S(=O)(CCO)c1ccc(CNC(c2ccccc2)c2ccccc2)cc1 ZINC000189164633 1432056053 /nfs/dbraw/zinc/05/60/53/1432056053.db2.gz OOOIVDUQNMSQQC-UHFFFAOYSA-N 0 1 381.497 3.332 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)CCN1Cc1ccccc1 ZINC000189164491 1432056108 /nfs/dbraw/zinc/05/61/08/1432056108.db2.gz YSWLVFQJAQYNBJ-LJQANCHMSA-N 0 1 378.520 3.418 20 0 GGADMN C[C@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)CCN1Cc1ccccc1 ZINC000189164513 1432056301 /nfs/dbraw/zinc/05/63/01/1432056301.db2.gz YSWLVFQJAQYNBJ-IBGZPJMESA-N 0 1 378.520 3.418 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cccnc2-c2csc(C)c2)CCN1C[C@@H](C)O ZINC000189181638 1432059155 /nfs/dbraw/zinc/05/91/55/1432059155.db2.gz VOIJNYMPCUMXBM-PBHICJAKSA-N 0 1 388.537 3.427 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000189185024 1432059895 /nfs/dbraw/zinc/05/98/95/1432059895.db2.gz IFYWYOFKMNCATO-OXQOHEQNSA-N 0 1 385.508 3.031 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000189220213 1432065793 /nfs/dbraw/zinc/06/57/93/1432065793.db2.gz BEGNHAHPZFGXSD-LPHOPBHVSA-N 0 1 390.524 3.162 20 0 GGADMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000189226753 1432066905 /nfs/dbraw/zinc/06/69/05/1432066905.db2.gz BPXXNQICTQPFAY-UHFFFAOYSA-N 0 1 387.320 3.199 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCCc4c(O)cccc43)n2)cc1 ZINC000189236789 1432068592 /nfs/dbraw/zinc/06/85/92/1432068592.db2.gz UMFDLMVVIUDBIN-KRWDZBQOSA-N 0 1 393.447 3.063 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3CCCc4c(O)cccc43)n[nH]2)cc1 ZINC000189236789 1432068598 /nfs/dbraw/zinc/06/85/98/1432068598.db2.gz UMFDLMVVIUDBIN-KRWDZBQOSA-N 0 1 393.447 3.063 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC(Cn2cncn2)CC1 ZINC000189238446 1432069126 /nfs/dbraw/zinc/06/91/26/1432069126.db2.gz WMKJXDAAZHIWAD-UHFFFAOYSA-N 0 1 375.383 3.036 20 0 GGADMN O=C(c1c[nH]c(=O)c2ccccc12)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000189243661 1432070210 /nfs/dbraw/zinc/07/02/10/1432070210.db2.gz WLSGBTPEZVMOQD-INIZCTEOSA-N 0 1 399.454 3.333 20 0 GGADMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c(C)c1[N+](=O)[O-] ZINC000189241999 1432070246 /nfs/dbraw/zinc/07/02/46/1432070246.db2.gz FHFBKMDZLRIFKO-UHFFFAOYSA-N 0 1 390.377 3.402 20 0 GGADMN Cc1ccc(N2CC[C@@H](NCc3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000189246448 1432071011 /nfs/dbraw/zinc/07/10/11/1432071011.db2.gz OTZZIMKMGPJEQM-OAQYLSRUSA-N 0 1 378.451 3.274 20 0 GGADMN COc1cccc(C(=O)c2ccc(C(=O)NCCCc3cn[nH]c3C)cc2)c1 ZINC000189250094 1432071681 /nfs/dbraw/zinc/07/16/81/1432071681.db2.gz VOFDIHAPRSPVLI-UHFFFAOYSA-N 0 1 377.444 3.320 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)CC1(c2ccccc2)CC1 ZINC000189288820 1432079319 /nfs/dbraw/zinc/07/93/19/1432079319.db2.gz MFZNBPBLVQLZCO-IBGZPJMESA-N 0 1 393.531 3.410 20 0 GGADMN CSCc1cccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)c1 ZINC000189295946 1432080848 /nfs/dbraw/zinc/08/08/48/1432080848.db2.gz QBAABYVYNCIXSR-UHFFFAOYSA-N 0 1 385.514 3.015 20 0 GGADMN CN(CC(=O)NCc1ccccc1Cn1cccn1)CC1(c2ccccc2)CC1 ZINC000189304895 1432082482 /nfs/dbraw/zinc/08/24/82/1432082482.db2.gz WBAXSDHGBMPSDZ-UHFFFAOYSA-N 0 1 388.515 3.211 20 0 GGADMN CSCc1cccc(CNC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000189306795 1432082858 /nfs/dbraw/zinc/08/28/58/1432082858.db2.gz CJWUIJQWHRRXHZ-UHFFFAOYSA-N 0 1 383.561 3.227 20 0 GGADMN NC(=NOCc1ccc(F)c(Cl)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000189308653 1432083348 /nfs/dbraw/zinc/08/33/48/1432083348.db2.gz OWJBEJSZEXFSJN-UHFFFAOYSA-N 0 1 377.847 3.277 20 0 GGADMN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC1(c2ccccc2)CC1 ZINC000189314268 1432084091 /nfs/dbraw/zinc/08/40/91/1432084091.db2.gz YDLIYYLEHSDHRR-UHFFFAOYSA-N 0 1 379.504 3.125 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccc(F)cc1F ZINC000189315510 1432084656 /nfs/dbraw/zinc/08/46/56/1432084656.db2.gz RTJKRYZTUPSUDU-KBXCAEBGSA-N 0 1 383.483 3.149 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccc(F)cc1F ZINC000189315487 1432084793 /nfs/dbraw/zinc/08/47/93/1432084793.db2.gz RTJKRYZTUPSUDU-RDTXWAMCSA-N 0 1 383.483 3.149 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CN(C)CC1(c3ccccc3)CC1)CC2 ZINC000189324996 1432086380 /nfs/dbraw/zinc/08/63/80/1432086380.db2.gz NNPHUWMJJSIRBI-UHFFFAOYSA-N 0 1 394.515 3.252 20 0 GGADMN C[C@@H]1CN(c2ccnc(C(=O)Nc3[nH]nc4c3cccc4Cl)c2)C[C@H](C)O1 ZINC000189327761 1432086849 /nfs/dbraw/zinc/08/68/49/1432086849.db2.gz RYRXXUJBWSPRTK-TXEJJXNPSA-N 0 1 385.855 3.477 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000189326934 1432086963 /nfs/dbraw/zinc/08/69/63/1432086963.db2.gz RFOMXKFTNUFBEA-HNNXBMFYSA-N 0 1 397.866 3.142 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189349175 1432091162 /nfs/dbraw/zinc/09/11/62/1432091162.db2.gz XGOIETWXWNXNHK-YADHBBJMSA-N 0 1 392.547 3.121 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189349197 1432091348 /nfs/dbraw/zinc/09/13/48/1432091348.db2.gz XGOIETWXWNXNHK-FCHUYYIVSA-N 0 1 392.547 3.121 20 0 GGADMN O=C(NCCN1CCCOCC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000189356517 1432092264 /nfs/dbraw/zinc/09/22/64/1432092264.db2.gz RQGBIEGCGGOGBP-UHFFFAOYSA-N 0 1 377.488 3.142 20 0 GGADMN O=C(NCc1ccnc(N2CCCCCC2)c1)c1n[nH]nc1-c1ccccc1 ZINC000189365964 1432094001 /nfs/dbraw/zinc/09/40/01/1432094001.db2.gz WUWCOEASARWDTN-UHFFFAOYSA-N 0 1 376.464 3.177 20 0 GGADMN CC[C@@]1(C)CN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CCO1 ZINC000189373293 1432095057 /nfs/dbraw/zinc/09/50/57/1432095057.db2.gz VCTWZSNVMSYMBW-FPOVZHCZSA-N 0 1 375.513 3.043 20 0 GGADMN CC[C@]1(C)CN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CCO1 ZINC000189373315 1432095195 /nfs/dbraw/zinc/09/51/95/1432095195.db2.gz VCTWZSNVMSYMBW-TZIWHRDSSA-N 0 1 375.513 3.043 20 0 GGADMN O=C(NCC[S@](=O)Cc1ccccc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189374376 1432095551 /nfs/dbraw/zinc/09/55/51/1432095551.db2.gz WPMDYSKZCDNLDY-VWLOTQADSA-N 0 1 393.921 3.470 20 0 GGADMN O=S(=O)(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccccc1Cl ZINC000189384495 1432096646 /nfs/dbraw/zinc/09/66/46/1432096646.db2.gz RUDWEONHLHUSSZ-UHFFFAOYSA-N 0 1 388.880 3.269 20 0 GGADMN COC[C@@H]1CN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C[C@H](C)O1 ZINC000189386796 1432096988 /nfs/dbraw/zinc/09/69/88/1432096988.db2.gz VIPOQKLMMJSLGD-CHLMOITFSA-N 0 1 399.531 3.198 20 0 GGADMN O=C(c1n[nH]nc1-c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000189391332 1432097931 /nfs/dbraw/zinc/09/79/31/1432097931.db2.gz MAHFWBPGOVOTMQ-QGZVFWFLSA-N 0 1 399.458 3.277 20 0 GGADMN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)CCO2)n1 ZINC000189402290 1432099345 /nfs/dbraw/zinc/09/93/45/1432099345.db2.gz BNJXDVNJUUWSLC-SFHVURJKSA-N 0 1 393.491 3.048 20 0 GGADMN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1n[nH]nc1-c1ccccc1 ZINC000189403747 1432099727 /nfs/dbraw/zinc/09/97/27/1432099727.db2.gz LFVWKGWZDDAKBE-AWEZNQCLSA-N 0 1 377.231 3.242 20 0 GGADMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000189418840 1432104443 /nfs/dbraw/zinc/10/44/43/1432104443.db2.gz NJTKBNXJYGVERW-UHFFFAOYSA-N 0 1 397.250 3.226 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccccc1CCOC)N1CCOCC1 ZINC000189421398 1432105109 /nfs/dbraw/zinc/10/51/09/1432105109.db2.gz IOSPYPSEAFTBRB-FQEVSTJZSA-N 0 1 377.529 3.134 20 0 GGADMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000189421175 1432105241 /nfs/dbraw/zinc/10/52/41/1432105241.db2.gz CLACBOALTHZFGA-UHFFFAOYSA-N 0 1 390.230 3.493 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000189423940 1432105808 /nfs/dbraw/zinc/10/58/08/1432105808.db2.gz DBZYYRXFULFKBN-FQEVSTJZSA-N 0 1 388.895 3.299 20 0 GGADMN Cc1ccc(C(=O)NCCN2CCCOCC2)cc1NC(=O)Nc1ccccc1 ZINC000189426506 1432107112 /nfs/dbraw/zinc/10/71/12/1432107112.db2.gz ZWFFALRIOVFBNZ-UHFFFAOYSA-N 0 1 396.491 3.091 20 0 GGADMN Cc1cc(C(=O)CN2CCN(CC(C)(C)O)C[C@@H]2C)c(C)n1CCC(C)C ZINC000189432286 1432108885 /nfs/dbraw/zinc/10/88/85/1432108885.db2.gz WYLMDMLSDDRYSR-SFHVURJKSA-N 0 1 377.573 3.111 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000189439716 1432112051 /nfs/dbraw/zinc/11/20/51/1432112051.db2.gz KKAAQCUXYJCOCP-GOSISDBHSA-N 0 1 381.520 3.069 20 0 GGADMN COCCc1ccccc1NC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000189444037 1432113521 /nfs/dbraw/zinc/11/35/21/1432113521.db2.gz PLMUKZLBEKJEFP-UHFFFAOYSA-N 0 1 389.540 3.280 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]nc1-c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000189459122 1432118635 /nfs/dbraw/zinc/11/86/35/1432118635.db2.gz KIWNAXAUQXXZOC-LLVKDONJSA-N 0 1 378.367 3.152 20 0 GGADMN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCO3)cnn1-c1cccc(C)c1 ZINC000189461038 1432119640 /nfs/dbraw/zinc/11/96/40/1432119640.db2.gz QHYSDDWUOPPACL-UHFFFAOYSA-N 0 1 383.473 3.479 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000189473029 1432125219 /nfs/dbraw/zinc/12/52/19/1432125219.db2.gz KDRHWAGMUCZRAD-GOTSBHOMSA-N 0 1 394.515 3.208 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000189472513 1432125311 /nfs/dbraw/zinc/12/53/11/1432125311.db2.gz UEMYNAGMRDSEPU-CYBMUJFWSA-N 0 1 398.429 3.032 20 0 GGADMN O=C(NC[C@@H]1CCCCN1CCOCC(F)(F)C(F)F)c1ccccc1 ZINC000189494049 1432134301 /nfs/dbraw/zinc/13/43/01/1432134301.db2.gz UNJWCGMXKQRUCM-HNNXBMFYSA-N 0 1 376.394 3.188 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NCc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000189495861 1432135542 /nfs/dbraw/zinc/13/55/42/1432135542.db2.gz BOAKQYOPAROXSG-DOTOQJQBSA-N 0 1 385.537 3.044 20 0 GGADMN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000189520935 1432146046 /nfs/dbraw/zinc/14/60/46/1432146046.db2.gz DNLKHGAPZUFEBD-JOCHJYFZSA-N 0 1 395.507 3.230 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N1CCN2CCCC[C@@H]2C1 ZINC000189559622 1432158986 /nfs/dbraw/zinc/15/89/86/1432158986.db2.gz MLTIJATZBYKAOW-NVXWUHKLSA-N 0 1 393.915 3.457 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N1CCN2CCCC[C@H]2C1 ZINC000189559649 1432159163 /nfs/dbraw/zinc/15/91/63/1432159163.db2.gz MLTIJATZBYKAOW-WBVHZDCISA-N 0 1 393.915 3.457 20 0 GGADMN COc1c(Br)cccc1CNC1(C(=O)NCC2CC2)CCCC1 ZINC000189579493 1432165054 /nfs/dbraw/zinc/16/50/54/1432165054.db2.gz OLOUERGJUSLTIU-UHFFFAOYSA-N 0 1 381.314 3.386 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[C@H](O)C3)cc2Cl)CC1 ZINC000189591135 1432169559 /nfs/dbraw/zinc/16/95/59/1432169559.db2.gz IFSMNJHRIDAPEF-RDJZCZTQSA-N 0 1 394.947 3.155 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189602895 1432172342 /nfs/dbraw/zinc/17/23/42/1432172342.db2.gz JAKGDPIXLWWIPL-UHFFFAOYSA-N 0 1 395.372 3.329 20 0 GGADMN C[C@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000189605983 1432173854 /nfs/dbraw/zinc/17/38/54/1432173854.db2.gz HICVYDLLQWBCNK-LLVKDONJSA-N 0 1 387.390 3.056 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2ccc(Br)o2)N(C)C)c1 ZINC000189605845 1432173906 /nfs/dbraw/zinc/17/39/06/1432173906.db2.gz DHEJMLQKWCVRPR-HNNXBMFYSA-N 0 1 396.285 3.153 20 0 GGADMN Cc1cc(NC(=O)C2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)no1 ZINC000189606975 1432174185 /nfs/dbraw/zinc/17/41/85/1432174185.db2.gz CXFWVASWJKCKFX-UHFFFAOYSA-N 0 1 397.454 3.218 20 0 GGADMN COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(OC(F)F)c1 ZINC000189609201 1432175746 /nfs/dbraw/zinc/17/57/46/1432175746.db2.gz OLKLFWDGLIQYRJ-HNNXBMFYSA-N 0 1 380.391 3.457 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000189614002 1432177250 /nfs/dbraw/zinc/17/72/50/1432177250.db2.gz KCHMHUVUGBHAQU-UHFFFAOYSA-N 0 1 394.357 3.183 20 0 GGADMN COC(=O)[C@@H](NCc1cccc(Br)c1O)c1ccc2c(c1)CCO2 ZINC000189614640 1432178024 /nfs/dbraw/zinc/17/80/24/1432178024.db2.gz DFMNLFKQRNGRKD-INIZCTEOSA-N 0 1 392.249 3.094 20 0 GGADMN CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000189626671 1432182723 /nfs/dbraw/zinc/18/27/23/1432182723.db2.gz ZWXOPIBHPNJZLB-QHCPKHFHSA-N 0 1 395.503 3.423 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000189626671 1432182738 /nfs/dbraw/zinc/18/27/38/1432182738.db2.gz ZWXOPIBHPNJZLB-QHCPKHFHSA-N 0 1 395.503 3.423 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000189640273 1432187897 /nfs/dbraw/zinc/18/78/97/1432187897.db2.gz FFNLGSZJCSSMAH-HTAPYJJXSA-N 0 1 388.556 3.238 20 0 GGADMN C[C@H](CNC(=O)NCc1ccc(Br)o1)N1CCc2ccccc2C1 ZINC000189644856 1432188978 /nfs/dbraw/zinc/18/89/78/1432188978.db2.gz SQEMQWWFUMVCQU-CYBMUJFWSA-N 0 1 392.297 3.288 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2C1 ZINC000189652581 1432191480 /nfs/dbraw/zinc/19/14/80/1432191480.db2.gz PCDGQOCDXVPSHQ-YOEHRIQHSA-N 0 1 388.512 3.498 20 0 GGADMN Cc1ccc(-n2cc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)cn2)c(C)c1 ZINC000189659894 1432194913 /nfs/dbraw/zinc/19/49/13/1432194913.db2.gz PAOWMYZUGXZNRU-IBGZPJMESA-N 0 1 397.523 3.065 20 0 GGADMN CC[C@]1(CO)CCCN1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000189683576 1432202903 /nfs/dbraw/zinc/20/29/03/1432202903.db2.gz OLWWNFPVRLDOFQ-HXUWFJFHSA-N 0 1 387.505 3.176 20 0 GGADMN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000189685613 1432204002 /nfs/dbraw/zinc/20/40/02/1432204002.db2.gz HYQVXAPZEHDNIQ-QLFBSQMISA-N 0 1 388.430 3.088 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000189703394 1432208752 /nfs/dbraw/zinc/20/87/52/1432208752.db2.gz ITFHGFBHCXLGSF-UHFFFAOYSA-N 0 1 377.492 3.470 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3c(C)ccn3C)CC2)c1C ZINC000189705292 1432209704 /nfs/dbraw/zinc/20/97/04/1432209704.db2.gz FHIXJYOREAQXTO-UHFFFAOYSA-N 0 1 384.524 3.091 20 0 GGADMN CCOC[C@@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC)C(C)C ZINC000189716539 1432212891 /nfs/dbraw/zinc/21/28/91/1432212891.db2.gz UQXBYTFZAZAZKF-LJQANCHMSA-N 0 1 392.544 3.020 20 0 GGADMN CC[C@](C)(O)CN(CC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1 ZINC000189720234 1432213985 /nfs/dbraw/zinc/21/39/85/1432213985.db2.gz UYCOTNWMZPCFCP-QFIPXVFZSA-N 0 1 386.492 3.306 20 0 GGADMN Cc1cc(-c2ncccc2NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cs1 ZINC000189724989 1432215745 /nfs/dbraw/zinc/21/57/45/1432215745.db2.gz MLFUYDIUGDXXFL-UHFFFAOYSA-N 0 1 399.497 3.205 20 0 GGADMN CC[C@](C)(O)CN(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000189725741 1432216492 /nfs/dbraw/zinc/21/64/92/1432216492.db2.gz YGBFGCZAQLRVQV-OFNKIYASSA-N 0 1 382.504 3.290 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C[C@@](C)(O)CC)c1 ZINC000189732060 1432217579 /nfs/dbraw/zinc/21/75/79/1432217579.db2.gz CIAGJMRIXYILRU-QHCPKHFHSA-N 0 1 397.519 3.038 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1 ZINC000189739707 1432220151 /nfs/dbraw/zinc/22/01/51/1432220151.db2.gz WPUWBIRKJVRBQZ-JOCHJYFZSA-N 0 1 383.492 3.247 20 0 GGADMN COC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000189739135 1432220593 /nfs/dbraw/zinc/22/05/93/1432220593.db2.gz VEMGGSYXJIZEAO-WOJBJXKFSA-N 0 1 385.508 3.316 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1nnc[nH]1 ZINC000189741221 1432221237 /nfs/dbraw/zinc/22/12/37/1432221237.db2.gz KXFQPGHYAIVQDJ-DGCLKSJQSA-N 0 1 379.848 3.289 20 0 GGADMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)s1 ZINC000189749459 1432223124 /nfs/dbraw/zinc/22/31/24/1432223124.db2.gz SGUFHNGVTNIOSO-UHFFFAOYSA-N 0 1 399.497 3.205 20 0 GGADMN CCOC[C@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)C(C)C ZINC000189752420 1432223612 /nfs/dbraw/zinc/22/36/12/1432223612.db2.gz UHUFGCIXLVDKQW-RBUKOAKNSA-N 0 1 377.529 3.192 20 0 GGADMN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC2(O)CCOCC2)c1 ZINC000189758620 1432226183 /nfs/dbraw/zinc/22/61/83/1432226183.db2.gz YLYGQTMBSSFXBS-OAQYLSRUSA-N 0 1 382.504 3.457 20 0 GGADMN Cc1ccoc1C(=O)NCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189764168 1432228177 /nfs/dbraw/zinc/22/81/77/1432228177.db2.gz GXLRRTKRNCMEMX-UHFFFAOYSA-N 0 1 392.868 3.243 20 0 GGADMN CC(C)c1ccc([C@H](NC(=O)CN(C)CC2(O)CCOCC2)C(C)C)cc1 ZINC000189779493 1432233152 /nfs/dbraw/zinc/23/31/52/1432233152.db2.gz JDKXCZFOAIZIKP-OAQYLSRUSA-N 0 1 376.541 3.097 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(C)CC1(O)CCOCC1 ZINC000189779919 1432233296 /nfs/dbraw/zinc/23/32/96/1432233296.db2.gz SUYOZTSNQUGRQU-GOSISDBHSA-N 0 1 398.503 3.066 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)CC1(O)CCOCC1 ZINC000189779338 1432233316 /nfs/dbraw/zinc/23/33/16/1432233316.db2.gz RCQWJNPEEXFDQP-LLVKDONJSA-N 0 1 394.821 3.159 20 0 GGADMN COc1cc(C2(C(=O)NCCc3nnc(-c4ccccc4)[nH]3)CC2)ccc1C ZINC000189786036 1432234170 /nfs/dbraw/zinc/23/41/70/1432234170.db2.gz JNRUPPHOHLPEDB-UHFFFAOYSA-N 0 1 376.460 3.179 20 0 GGADMN COC[C@H](C)n1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000189784291 1432234609 /nfs/dbraw/zinc/23/46/09/1432234609.db2.gz MFGCQGFKGXTIEK-HOTGVXAUSA-N 0 1 375.473 3.032 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189786092 1432235015 /nfs/dbraw/zinc/23/50/15/1432235015.db2.gz IZALCTXXZQHCLI-SFHVURJKSA-N 0 1 382.504 3.078 20 0 GGADMN N#Cc1ccc(O)c(NC(=O)c2nc(Br)ccc2Br)c1 ZINC000189804530 1432240054 /nfs/dbraw/zinc/24/00/54/1432240054.db2.gz MLDIIQIXKWEBGT-UHFFFAOYSA-N 0 1 397.026 3.436 20 0 GGADMN C[C@@H](C1CC1)n1cc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000189809855 1432241185 /nfs/dbraw/zinc/24/11/85/1432241185.db2.gz CHPFGHUKBUOFLH-SFHVURJKSA-N 0 1 396.539 3.188 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000189811724 1432242063 /nfs/dbraw/zinc/24/20/63/1432242063.db2.gz ZNSXEBLKHFMTQA-MRXNPFEDSA-N 0 1 380.452 3.127 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CC[C@H](C)[C@H]3CO)cc2Cl)CC1 ZINC000189828447 1432246815 /nfs/dbraw/zinc/24/68/15/1432246815.db2.gz VZMXRUUUINIAIX-HNAYVOBHSA-N 0 1 394.947 3.107 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(OC)cc2OC(F)F)N(C)C)c1 ZINC000189833815 1432248296 /nfs/dbraw/zinc/24/82/96/1432248296.db2.gz WCKBDXYQZBXGAG-KRWDZBQOSA-N 0 1 394.418 3.338 20 0 GGADMN C[C@H](O)CN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000189839849 1432250073 /nfs/dbraw/zinc/25/00/73/1432250073.db2.gz KPONKBCPGHBCHX-INIZCTEOSA-N 0 1 387.911 3.091 20 0 GGADMN CC(C)(O)CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000189864856 1432256991 /nfs/dbraw/zinc/25/69/91/1432256991.db2.gz NABBZLPNKIMKDO-INIZCTEOSA-N 0 1 387.505 3.254 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189889064 1432264161 /nfs/dbraw/zinc/26/41/61/1432264161.db2.gz JPHJLJFJMPRTJP-IRXDYDNUSA-N 0 1 375.557 3.088 20 0 GGADMN C[C@H]1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1CC(C)(C)O ZINC000189898535 1432266900 /nfs/dbraw/zinc/26/69/00/1432266900.db2.gz XTBFNPZKXGDCJK-RXVVDRJESA-N 0 1 381.520 3.143 20 0 GGADMN Cc1cc(C(=O)CN2CCN(CC(C)(C)O)[C@H](C)C2)c(C)n1CCC(C)C ZINC000189902050 1432267834 /nfs/dbraw/zinc/26/78/34/1432267834.db2.gz HIWPHMPZHOEVTI-GOSISDBHSA-N 0 1 377.573 3.111 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189902977 1432267943 /nfs/dbraw/zinc/26/79/43/1432267943.db2.gz BYEWVYVZNRDXRR-KGLIPLIRSA-N 0 1 378.904 3.228 20 0 GGADMN CC(C)(O)CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C1CC1 ZINC000189904970 1432268583 /nfs/dbraw/zinc/26/85/83/1432268583.db2.gz OLZZVXIHTOIBDX-UHFFFAOYSA-N 0 1 387.505 3.174 20 0 GGADMN COC[C@H](C)n1ccc(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000189905905 1432268837 /nfs/dbraw/zinc/26/88/37/1432268837.db2.gz OGFGAKXGECKQHC-KRWDZBQOSA-N 0 1 385.512 3.219 20 0 GGADMN CS(=O)(=O)c1cc(NC(=O)N[C@@H]2CCN(CC3CCCC3)C2)ccc1Cl ZINC000189909883 1432270267 /nfs/dbraw/zinc/27/02/67/1432270267.db2.gz GJWQBLIARKFZEK-OAHLLOKOSA-N 0 1 399.944 3.130 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccccc2-c2ccccc2)CCN1CC(C)(C)O ZINC000189909734 1432270290 /nfs/dbraw/zinc/27/02/90/1432270290.db2.gz VHVMGENFEXNBCJ-GOSISDBHSA-N 0 1 381.520 3.069 20 0 GGADMN C[C@H]1CN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CCN1CC(C)(C)O ZINC000189919395 1432274363 /nfs/dbraw/zinc/27/43/63/1432274363.db2.gz QXEAKNDUHJMYSA-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)CCN1CC(C)(C)O ZINC000189922355 1432274839 /nfs/dbraw/zinc/27/48/39/1432274839.db2.gz NWPCZKTUAFWTKK-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(CC(C)(C)O)C2CC2)cs1 ZINC000189925205 1432275550 /nfs/dbraw/zinc/27/55/50/1432275550.db2.gz VGSWOGQGAJWAOZ-UHFFFAOYSA-N 0 1 385.533 3.243 20 0 GGADMN C[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCN1CC(C)(C)O ZINC000189930230 1432277954 /nfs/dbraw/zinc/27/79/54/1432277954.db2.gz PGSARGLRXQZUNQ-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN COCCn1ccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)n1 ZINC000189931886 1432278999 /nfs/dbraw/zinc/27/89/99/1432278999.db2.gz CQYZJVZKSMMQHU-UHFFFAOYSA-N 0 1 396.535 3.190 20 0 GGADMN COC(=O)[C@@](C)(CN[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccccc1 ZINC000189942827 1432282609 /nfs/dbraw/zinc/28/26/09/1432282609.db2.gz WOSMIBWUFXCRQF-ZSEKCTLFSA-N 0 1 399.516 3.383 20 0 GGADMN COC(=O)[C@](C)(CN[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccccc1 ZINC000189942848 1432283262 /nfs/dbraw/zinc/28/32/62/1432283262.db2.gz WOSMIBWUFXCRQF-LRTDBIEQSA-N 0 1 399.516 3.383 20 0 GGADMN C[C@@](O)(CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000189944564 1432284042 /nfs/dbraw/zinc/28/40/42/1432284042.db2.gz KMPMEPFLRWOXSL-SIKLNZKXSA-N 0 1 385.508 3.404 20 0 GGADMN C[C@](O)(CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000189944580 1432284064 /nfs/dbraw/zinc/28/40/64/1432284064.db2.gz KMPMEPFLRWOXSL-UGKGYDQZSA-N 0 1 385.508 3.404 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccn([C@@H](C)COC)n2)CCN1Cc1ccccc1 ZINC000189946051 1432285011 /nfs/dbraw/zinc/28/50/11/1432285011.db2.gz CQIWCFQDUIYIFO-HKUYNNGSSA-N 0 1 385.512 3.219 20 0 GGADMN CC(C)c1cccc2c1CCN(C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)C2 ZINC000189949994 1432286828 /nfs/dbraw/zinc/28/68/28/1432286828.db2.gz NATBNDKIQOENIV-JOCHJYFZSA-N 0 1 386.584 3.150 20 0 GGADMN C[C@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCN1CC(C)(C)O ZINC000189950941 1432287859 /nfs/dbraw/zinc/28/78/59/1432287859.db2.gz GVHJAWWHYGAGPS-ZDUSSCGKSA-N 0 1 398.429 3.032 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)C1 ZINC000189967997 1432291406 /nfs/dbraw/zinc/29/14/06/1432291406.db2.gz GXCVKJDQUICPES-DENIHFKCSA-N 0 1 389.540 3.026 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccccc2SC(F)F)C1(C)C ZINC000189966762 1432291504 /nfs/dbraw/zinc/29/15/04/1432291504.db2.gz OABLKAYBVYIYMQ-KDOFPFPSSA-N 0 1 388.480 3.096 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2ccccc2SC(F)F)C1(C)C ZINC000189966802 1432291875 /nfs/dbraw/zinc/29/18/75/1432291875.db2.gz OABLKAYBVYIYMQ-RDTXWAMCSA-N 0 1 388.480 3.096 20 0 GGADMN CCSc1cc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccn1 ZINC000189970485 1432293383 /nfs/dbraw/zinc/29/33/83/1432293383.db2.gz NOYIIINJKJNYAY-KRWDZBQOSA-N 0 1 376.501 3.435 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)CC2(O)CCCCCC2)N(C)C)c1 ZINC000189971594 1432294327 /nfs/dbraw/zinc/29/43/27/1432294327.db2.gz VEUUHMGOAWQXRN-IBGZPJMESA-N 0 1 377.529 3.025 20 0 GGADMN CCOC(=O)[C@](C)(CN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000189983170 1432298823 /nfs/dbraw/zinc/29/88/23/1432298823.db2.gz OMJAAIYRSNWGFN-NFBKMPQASA-N 0 1 380.488 3.117 20 0 GGADMN CCOC(=O)[C@](C)(CN[C@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000189985201 1432299501 /nfs/dbraw/zinc/29/95/01/1432299501.db2.gz YVYYLKOUVDIZRG-VGOFRKELSA-N 0 1 378.476 3.439 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCc2csc(-c3ccccc3OC)n2)C1(C)C ZINC000190004404 1432302761 /nfs/dbraw/zinc/30/27/61/1432302761.db2.gz TZTSWKQFHLTFQQ-XLIONFOSSA-N 0 1 376.522 3.474 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCc2csc(-c3ccccc3OC)n2)C1(C)C ZINC000190004422 1432302819 /nfs/dbraw/zinc/30/28/19/1432302819.db2.gz TZTSWKQFHLTFQQ-PXNSSMCTSA-N 0 1 376.522 3.474 20 0 GGADMN COC(=O)C[C@](C)(NCc1ccc(Oc2cnccn2)cc1)c1ccncc1 ZINC000190022141 1432306445 /nfs/dbraw/zinc/30/64/45/1432306445.db2.gz PIJDQGPAHPAWTA-NRFANRHFSA-N 0 1 378.432 3.232 20 0 GGADMN O=C(Nc1ccc(CNC(=O)c2[nH]nc3c2CCCCC3)cc1)c1ccco1 ZINC000190048172 1432310522 /nfs/dbraw/zinc/31/05/22/1432310522.db2.gz CIMOBQKBQYEACB-UHFFFAOYSA-N 0 1 378.432 3.454 20 0 GGADMN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000190056690 1432311953 /nfs/dbraw/zinc/31/19/53/1432311953.db2.gz LKCOVVQHLRIZFV-UHFFFAOYSA-N 0 1 384.443 3.458 20 0 GGADMN Cc1ccc(Br)nc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000190070605 1432314237 /nfs/dbraw/zinc/31/42/37/1432314237.db2.gz NLHAYYNIZDSMCZ-AWEZNQCLSA-N 0 1 380.261 3.324 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000190085586 1432317250 /nfs/dbraw/zinc/31/72/50/1432317250.db2.gz KJGJLPPEAONXCD-SFHVURJKSA-N 0 1 388.556 3.376 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2n[nH]c3c2CCCCC3)N2CCCC2)cc1 ZINC000190130619 1432325232 /nfs/dbraw/zinc/32/52/32/1432325232.db2.gz GWUDONQZJUQPMI-HXUWFJFHSA-N 0 1 382.508 3.254 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1C[C@@H](C)O[C@H](CO)C1 ZINC000190131900 1432325532 /nfs/dbraw/zinc/32/55/32/1432325532.db2.gz NBZGQWFQJJJUEP-ZBFHGGJFSA-N 0 1 382.932 3.265 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2n[nH]c3c2CCCCC3)N2CCCC2)c1 ZINC000190138323 1432326550 /nfs/dbraw/zinc/32/65/50/1432326550.db2.gz IJQRLIVYYIBVMK-FQEVSTJZSA-N 0 1 382.508 3.254 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N3CCN(CC(C)(C)O)C[C@H]3C)c2)oc1C ZINC000190147273 1432328102 /nfs/dbraw/zinc/32/81/02/1432328102.db2.gz QLYLPWQHNMLTLP-CQSZACIVSA-N 0 1 386.496 3.267 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000190149511 1432328441 /nfs/dbraw/zinc/32/84/41/1432328441.db2.gz BDGFNYIBYGUKNB-QGZVFWFLSA-N 0 1 398.507 3.491 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1C ZINC000190149778 1432328722 /nfs/dbraw/zinc/32/87/22/1432328722.db2.gz RFQGUGOVBFCTIY-HNNXBMFYSA-N 0 1 390.528 3.043 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190154541 1432329350 /nfs/dbraw/zinc/32/93/50/1432329350.db2.gz FEUIOMLZWBEKHG-LLVKDONJSA-N 0 1 377.382 3.153 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000190156666 1432329810 /nfs/dbraw/zinc/32/98/10/1432329810.db2.gz UGHITEVQWPRAQJ-CYBMUJFWSA-N 0 1 388.537 3.483 20 0 GGADMN CCn1ncc2ccc(NC(=O)N3CCC(CCCN4CCOCC4)CC3)cc21 ZINC000190157391 1432329869 /nfs/dbraw/zinc/32/98/69/1432329869.db2.gz WCFUSUJAPMIMRH-UHFFFAOYSA-N 0 1 399.539 3.413 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)c1cccc(F)c1 ZINC000190161839 1432330795 /nfs/dbraw/zinc/33/07/95/1432330795.db2.gz JVZWITWKHRRUGG-ROUUACIJSA-N 0 1 375.419 3.391 20 0 GGADMN CC(C)[C@@H](CNC(=O)C(C)(C)c1ccc(Cl)cc1F)N1CCN(C)CC1 ZINC000190162506 1432331014 /nfs/dbraw/zinc/33/10/14/1432331014.db2.gz RPNXYNJJGSAKIP-GOSISDBHSA-N 0 1 383.939 3.145 20 0 GGADMN O=C(Nc1ccc2c(c1)CCCO2)N1CCC(CCCN2CCOCC2)CC1 ZINC000190164376 1432331598 /nfs/dbraw/zinc/33/15/98/1432331598.db2.gz SXDCGTWABJXUSL-UHFFFAOYSA-N 0 1 387.524 3.368 20 0 GGADMN CC[C@]1(C)CN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CCO1 ZINC000190168128 1432332230 /nfs/dbraw/zinc/33/22/30/1432332230.db2.gz HLKQTEHIPNYTJL-PZJWPPBQSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000190174600 1432333480 /nfs/dbraw/zinc/33/34/80/1432333480.db2.gz DJHBGUWZUDUXQO-NSHDSACASA-N 0 1 377.382 3.153 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CCN1CC(C)(C)O ZINC000190174828 1432333640 /nfs/dbraw/zinc/33/36/40/1432333640.db2.gz ONXLDNGOGGHMOA-LLVKDONJSA-N 0 1 377.382 3.153 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000190174581 1432333751 /nfs/dbraw/zinc/33/37/51/1432333751.db2.gz DJHBGUWZUDUXQO-LLVKDONJSA-N 0 1 377.382 3.153 20 0 GGADMN CCCCN(C)c1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000190185588 1432335827 /nfs/dbraw/zinc/33/58/27/1432335827.db2.gz KTLVUQNFLVQPEE-QGZVFWFLSA-N 0 1 376.545 3.232 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000190190242 1432337011 /nfs/dbraw/zinc/33/70/11/1432337011.db2.gz WQMUNTOPGBHSLR-CQSZACIVSA-N 0 1 388.512 3.434 20 0 GGADMN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000190193449 1432337884 /nfs/dbraw/zinc/33/78/84/1432337884.db2.gz XWOPLIOQJBPHGL-KRWDZBQOSA-N 0 1 399.539 3.440 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000190197613 1432338748 /nfs/dbraw/zinc/33/87/48/1432338748.db2.gz UZGHJTWOWVFIST-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CCN1CC(C)(C)O ZINC000190197561 1432338858 /nfs/dbraw/zinc/33/88/58/1432338858.db2.gz UNSRUPJJAPLQLF-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN CCOC1CC(CCNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000190202428 1432340120 /nfs/dbraw/zinc/34/01/20/1432340120.db2.gz DVXZQBUFKIREQZ-UHFFFAOYSA-N 0 1 377.504 3.295 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000190224088 1432344089 /nfs/dbraw/zinc/34/40/89/1432344089.db2.gz WXFOOEVEIRYJNY-MRXNPFEDSA-N 0 1 384.480 3.183 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(Oc3ccccn3)c2)CCN1CC(C)(C)O ZINC000190224055 1432344245 /nfs/dbraw/zinc/34/42/45/1432344245.db2.gz HHOASZVEDOUPPU-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2nc(Br)ccc2C)n1 ZINC000190243053 1432347615 /nfs/dbraw/zinc/34/76/15/1432347615.db2.gz YEAPLGKYQYPMJD-UHFFFAOYSA-N 0 1 388.225 3.199 20 0 GGADMN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cccc(-c3nnc[nH]3)c2)n1 ZINC000190257659 1432349678 /nfs/dbraw/zinc/34/96/78/1432349678.db2.gz GNUWPNYGQTZNKV-HNNXBMFYSA-N 0 1 397.460 3.082 20 0 GGADMN c1ccc2sc(CN3CCN(CC4CCC5(CC4)OCCO5)CC3)nc2c1 ZINC000190286458 1432353410 /nfs/dbraw/zinc/35/34/10/1432353410.db2.gz BZYVFMYTSPCJNL-UHFFFAOYSA-N 0 1 387.549 3.347 20 0 GGADMN CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000190303190 1432356594 /nfs/dbraw/zinc/35/65/94/1432356594.db2.gz BTRXIFLCYJGYRF-CPUCHLNUSA-N 0 1 387.446 3.253 20 0 GGADMN CC(C)c1cnc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000190312057 1432357975 /nfs/dbraw/zinc/35/79/75/1432357975.db2.gz UAOBFCVWKJRGAX-INIZCTEOSA-N 0 1 386.521 3.158 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1(Cc2ccccc2Cl)CC1 ZINC000190343820 1432364837 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/nfs/dbraw/zinc/54/86/56/1432548656.db2.gz GETLODULXPIEBQ-UHFFFAOYSA-N 0 1 378.472 3.491 20 0 GGADMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(C2CCCC2)nn1C ZINC000191008456 1432548724 /nfs/dbraw/zinc/54/87/24/1432548724.db2.gz NZSFHUJHXQJDIZ-UHFFFAOYSA-N 0 1 397.472 3.043 20 0 GGADMN O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cn[nH]c1C1CC1 ZINC000191035207 1432554489 /nfs/dbraw/zinc/55/44/89/1432554489.db2.gz HGGPOGIAFNGILW-UHFFFAOYSA-N 0 1 376.464 3.448 20 0 GGADMN O=C(CC1CCC2(CC1)OCCO2)Nc1cccc(CN2CCSCC2)c1 ZINC000191037464 1432554868 /nfs/dbraw/zinc/55/48/68/1432554868.db2.gz GXTLQDWZBQXYQI-UHFFFAOYSA-N 0 1 390.549 3.497 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)c1cccc(C(F)(F)F)c1 ZINC000191045256 1432556385 /nfs/dbraw/zinc/55/63/85/1432556385.db2.gz ILJCQCXKOPCNHR-QBPKDAKJSA-N 0 1 385.430 3.175 20 0 GGADMN CC(C)(C)n1cc(CN[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000191058803 1432559568 /nfs/dbraw/zinc/55/95/68/1432559568.db2.gz ZFWUYPSEERDGGX-INIZCTEOSA-N 0 1 381.446 3.416 20 0 GGADMN COc1ccc(CN2CC[C@H](NCc3ccc(OCC4CC4)cc3)C2=O)cc1 ZINC000191078761 1432563206 /nfs/dbraw/zinc/56/32/06/1432563206.db2.gz JNIDLUHMMGBZGM-QFIPXVFZSA-N 0 1 380.488 3.375 20 0 GGADMN COc1ccc(CN2CC[C@@H](NCc3ccc(OCC4CC4)cc3)C2=O)cc1 ZINC000191078779 1432563362 /nfs/dbraw/zinc/56/33/62/1432563362.db2.gz JNIDLUHMMGBZGM-JOCHJYFZSA-N 0 1 380.488 3.375 20 0 GGADMN C[C@H](CNC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191097273 1432567286 /nfs/dbraw/zinc/56/72/86/1432567286.db2.gz ZJUOOTYWPXSVPG-HZPDHXFCSA-N 0 1 399.457 3.173 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191099454 1432567740 /nfs/dbraw/zinc/56/77/40/1432567740.db2.gz YDUFYUGANBYEPF-HNNXBMFYSA-N 0 1 399.457 3.315 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NC[C@@H](C)c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000191099642 1432567943 /nfs/dbraw/zinc/56/79/43/1432567943.db2.gz SELQZYUNJSKYBM-IAQYHMDHSA-N 0 1 397.401 3.019 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000191104388 1432569034 /nfs/dbraw/zinc/56/90/34/1432569034.db2.gz PKBXVLNKKGXEFL-GFCCVEGCSA-N 0 1 376.482 3.268 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC([C@@H]4CCCO4)CC3)n2)cc1 ZINC000191128082 1432573185 /nfs/dbraw/zinc/57/31/85/1432573185.db2.gz KXFQMPUMJFKQAY-KRWDZBQOSA-N 0 1 386.521 3.290 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)n[nH]2)cc1 ZINC000191142507 1432575731 /nfs/dbraw/zinc/57/57/31/1432575731.db2.gz XVDOIOPDFSICQI-UHFFFAOYSA-N 0 1 396.422 3.303 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@H](CN2CCOCC2)C1)Cc1ccccc1 ZINC000191145483 1432576034 /nfs/dbraw/zinc/57/60/34/1432576034.db2.gz QDGWYMDFPJJAAU-YADHBBJMSA-N 0 1 387.568 3.255 20 0 GGADMN O[C@H](CNCc1ccc(Br)o1)c1cc(Cl)c2c(c1)OCCO2 ZINC000191163359 1432579667 /nfs/dbraw/zinc/57/96/67/1432579667.db2.gz HRVGBYCNQOYVAU-GFCCVEGCSA-N 0 1 388.645 3.290 20 0 GGADMN CN(CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)OCc1ccccc1 ZINC000191167534 1432580838 /nfs/dbraw/zinc/58/08/38/1432580838.db2.gz FUYMSLQSARRSBO-IBGZPJMESA-N 0 1 399.491 3.191 20 0 GGADMN Cn1cc([C@H]2CSCCN2CCC(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000191170243 1432581710 /nfs/dbraw/zinc/58/17/10/1432581710.db2.gz YOOUVWWGXIJJME-WOJBJXKFSA-N 0 1 384.549 3.094 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1OC ZINC000191181061 1432585066 /nfs/dbraw/zinc/58/50/66/1432585066.db2.gz JMDLVGIMODGKRP-OAHLLOKOSA-N 0 1 388.512 3.147 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cnn1C(C)C ZINC000191199801 1432589164 /nfs/dbraw/zinc/58/91/64/1432589164.db2.gz AAFQKJMENIMYOL-GJZGRUSLSA-N 0 1 378.542 3.435 20 0 GGADMN Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cnn1C(C)(C)C ZINC000191200393 1432589765 /nfs/dbraw/zinc/58/97/65/1432589765.db2.gz XCSUIPQGQOWFPT-AWEZNQCLSA-N 0 1 378.542 3.048 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191205010 1432590781 /nfs/dbraw/zinc/59/07/81/1432590781.db2.gz PKDBBFWAXKLDEQ-KBPBESRZSA-N 0 1 378.542 3.266 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191205027 1432591228 /nfs/dbraw/zinc/59/12/28/1432591228.db2.gz PKDBBFWAXKLDEQ-ZIAGYGMSSA-N 0 1 378.542 3.266 20 0 GGADMN Cn1cc([C@H]2CSCCN2CCCCCn2nnc(-c3ccccc3)n2)cn1 ZINC000191205664 1432591245 /nfs/dbraw/zinc/59/12/45/1432591245.db2.gz DTARNIUFKUCOBR-LJQANCHMSA-N 0 1 397.552 3.034 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000191211655 1432593180 /nfs/dbraw/zinc/59/31/80/1432593180.db2.gz FITBQLIKXPYJHU-ZACQAIPSSA-N 0 1 393.528 3.390 20 0 GGADMN O=C(Nc1ccc(Cl)cc1-c1ccccc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000191223902 1432596337 /nfs/dbraw/zinc/59/63/37/1432596337.db2.gz OVIOXEMCSUDPRL-GOSISDBHSA-N 0 1 395.890 3.418 20 0 GGADMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1C(C)C ZINC000191224419 1432596356 /nfs/dbraw/zinc/59/63/56/1432596356.db2.gz VUYYKCHRDWYUMX-MRXNPFEDSA-N 0 1 390.553 3.408 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(Cc3ccc(N(C)C(C)C)nc3)CC2)nc1 ZINC000191242261 1432602058 /nfs/dbraw/zinc/60/20/58/1432602058.db2.gz NQNGKLUIGUHEKH-UHFFFAOYSA-N 0 1 381.524 3.480 20 0 GGADMN O[C@@H](CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1)COC1CCOCC1 ZINC000191251678 1432605448 /nfs/dbraw/zinc/60/54/48/1432605448.db2.gz ITJAOKQKHNPOJN-ZDUSSCGKSA-N 0 1 393.833 3.494 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NCc1ccc(N(C)CC)nc1 ZINC000191252339 1432605978 /nfs/dbraw/zinc/60/59/78/1432605978.db2.gz PEJVSHIZVJGGPY-UHFFFAOYSA-N 0 1 383.540 3.300 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191258056 1432609086 /nfs/dbraw/zinc/60/90/86/1432609086.db2.gz LHUTXOZLSSCNTC-KGLIPLIRSA-N 0 1 378.542 3.266 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191258019 1432609112 /nfs/dbraw/zinc/60/91/12/1432609112.db2.gz LHUTXOZLSSCNTC-UONOGXRCSA-N 0 1 378.542 3.266 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3nccn3-c3ccccc3)C2)c1 ZINC000191279292 1432618881 /nfs/dbraw/zinc/61/88/81/1432618881.db2.gz RBJCFKNAXAJKAD-KRWDZBQOSA-N 0 1 378.476 3.258 20 0 GGADMN COc1cccc(CC(=O)N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)c1 ZINC000191277924 1432619137 /nfs/dbraw/zinc/61/91/37/1432619137.db2.gz VYNZMEKJQUQCNO-UHFFFAOYSA-N 0 1 392.858 3.080 20 0 GGADMN Cc1nc([C@@H](C)OC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)no1 ZINC000191282624 1432620404 /nfs/dbraw/zinc/62/04/04/1432620404.db2.gz PRFMZLDJLOIIFD-SJKOYZFVSA-N 0 1 383.370 3.437 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)NC[C@](C)(O)C2CCCCC2)CC1 ZINC000191288566 1432621626 /nfs/dbraw/zinc/62/16/26/1432621626.db2.gz IHUKXVDEPVVDJG-QFIPXVFZSA-N 0 1 388.556 3.281 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000191288579 1432622015 /nfs/dbraw/zinc/62/20/15/1432622015.db2.gz IHUKXVDEPVVDJG-JOCHJYFZSA-N 0 1 388.556 3.281 20 0 GGADMN Cc1ccc(-n2cccn2)cc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000191302492 1432626450 /nfs/dbraw/zinc/62/64/50/1432626450.db2.gz FROQFNDVGNOXRW-UHFFFAOYSA-N 0 1 397.523 3.337 20 0 GGADMN Cc1ccccc1CCc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)n[nH]1 ZINC000191313530 1432629689 /nfs/dbraw/zinc/62/96/89/1432629689.db2.gz KTMMQQSQHWRERP-HXUWFJFHSA-N 0 1 382.508 3.085 20 0 GGADMN COc1ccc2c(c1NC(=O)NC1CCN(Cc3ccccn3)CC1)CCC2 ZINC000191332049 1432635121 /nfs/dbraw/zinc/63/51/21/1432635121.db2.gz YSZPUEHBQDMTKO-UHFFFAOYSA-N 0 1 380.492 3.365 20 0 GGADMN O=C(C[N@@H+](CCc1ccccc1)Cc1cccnc1)[N-]OCc1ccccc1 ZINC000191344867 1432637538 /nfs/dbraw/zinc/63/75/38/1432637538.db2.gz OJEHBOWGWMFROB-UHFFFAOYSA-N 0 1 375.472 3.374 20 0 GGADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000191365359 1432642450 /nfs/dbraw/zinc/64/24/50/1432642450.db2.gz XOAUCINRTQCMGT-UXLLHSPISA-N 0 1 380.444 3.428 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cnn(C(C)(C)C)c3C)C2=O)cc1 ZINC000191367386 1432642896 /nfs/dbraw/zinc/64/28/96/1432642896.db2.gz XCDMBXPGGCDCQC-YWZLYKJASA-N 0 1 384.524 3.407 20 0 GGADMN CCC1(CC)[C@H](NCc2nc3cc(S(=O)(=O)CC)ccc3o2)C[C@H]1OC ZINC000191375311 1432645161 /nfs/dbraw/zinc/64/51/61/1432645161.db2.gz NFYDOGDOKKMOFG-IAGOWNOFSA-N 0 1 380.510 3.305 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000191377506 1432645861 /nfs/dbraw/zinc/64/58/61/1432645861.db2.gz AZHWKPHMWVNOPU-JKSUJKDBSA-N 0 1 390.553 3.204 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H](C)c2cnn(C(C)(C)C)c2C)c(C)s1 ZINC000191386025 1432647904 /nfs/dbraw/zinc/64/79/04/1432647904.db2.gz XKGXPBHGLPRQPM-CYBMUJFWSA-N 0 1 398.598 3.254 20 0 GGADMN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000191423282 1432659357 /nfs/dbraw/zinc/65/93/57/1432659357.db2.gz QENKXTOPFKNOLI-SFHVURJKSA-N 0 1 379.460 3.415 20 0 GGADMN CC[C@]1(C)CN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)CCO1 ZINC000191463295 1432666509 /nfs/dbraw/zinc/66/65/09/1432666509.db2.gz MKQSNWVHGDVNMZ-KSFYIVLOSA-N 0 1 387.524 3.013 20 0 GGADMN CC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)C(C)C)nc1 ZINC000191470670 1432667720 /nfs/dbraw/zinc/66/77/20/1432667720.db2.gz VKNLBLNGEMTFHS-GOSISDBHSA-N 0 1 375.538 3.268 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCSc3ccc(OC)cc32)cc1 ZINC000191500965 1432673370 /nfs/dbraw/zinc/67/33/70/1432673370.db2.gz VAXRSIPDYLXKIP-UGSOOPFHSA-N 0 1 392.546 3.491 20 0 GGADMN CCCn1ccnc1CCCN(C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000191500849 1432673418 /nfs/dbraw/zinc/67/34/18/1432673418.db2.gz RGVKNMKETHMPSI-UHFFFAOYSA-N 0 1 385.480 3.354 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCSc3ccc(OC)cc32)cc1 ZINC000191500952 1432673792 /nfs/dbraw/zinc/67/37/92/1432673792.db2.gz VAXRSIPDYLXKIP-FZKQIMNGSA-N 0 1 392.546 3.491 20 0 GGADMN Cc1c([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cnn1C(C)(C)C ZINC000191501896 1432674330 /nfs/dbraw/zinc/67/43/30/1432674330.db2.gz KXUDGHBVXJBFIN-OAHLLOKOSA-N 0 1 390.553 3.337 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCCNS(=O)(=O)c1ccc(C)cc1)CCS2 ZINC000191504469 1432674763 /nfs/dbraw/zinc/67/47/63/1432674763.db2.gz MGFNUZJNWITEAD-SFHVURJKSA-N 0 1 392.546 3.109 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000191508504 1432675296 /nfs/dbraw/zinc/67/52/96/1432675296.db2.gz MKQVYMCUUKCMDY-FZKQIMNGSA-N 0 1 392.546 3.491 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000191522038 1432678145 /nfs/dbraw/zinc/67/81/45/1432678145.db2.gz CZKKGNJLHMMPEF-AEFFLSMTSA-N 0 1 389.565 3.259 20 0 GGADMN Cc1cc(NS(=O)(=O)C2=Cc3ccccc3OC2)ncc1Br ZINC000191544928 1432680750 /nfs/dbraw/zinc/68/07/50/1432680750.db2.gz KLUFZDHKCBSUSV-UHFFFAOYSA-N 0 1 381.251 3.328 20 0 GGADMN CCOC1CC(CC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000191559165 1432682939 /nfs/dbraw/zinc/68/29/39/1432682939.db2.gz PMUXBCIJPGHUGW-UHFFFAOYSA-N 0 1 393.959 3.174 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC3CCN(C(=O)c4ccoc4)CC3)n2)c1 ZINC000191566210 1432684502 /nfs/dbraw/zinc/68/45/02/1432684502.db2.gz KBRVJESILISQBS-AWEZNQCLSA-N 0 1 396.447 3.294 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000191582553 1432687409 /nfs/dbraw/zinc/68/74/09/1432687409.db2.gz CQMOCAIVSVWTGF-UHFFFAOYSA-N 0 1 384.823 3.448 20 0 GGADMN O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000191597472 1432689463 /nfs/dbraw/zinc/68/94/63/1432689463.db2.gz SFGTUPAUWICIQL-UHFFFAOYSA-N 0 1 383.191 3.046 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC(c2ccncc2)CC1 ZINC000191605160 1432690884 /nfs/dbraw/zinc/69/08/84/1432690884.db2.gz WFEMKNQQYHDSBO-QGZVFWFLSA-N 0 1 392.503 3.415 20 0 GGADMN Cc1nc(CC(C)C)c(C(=O)NNC(=O)NCc2ccc(Cl)cc2)s1 ZINC000191606321 1432691435 /nfs/dbraw/zinc/69/14/35/1432691435.db2.gz GPIHLZBQXOTTSW-UHFFFAOYSA-N 0 1 380.901 3.448 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N(C)C(C)C)nc2)cc1 ZINC000191615704 1432693742 /nfs/dbraw/zinc/69/37/42/1432693742.db2.gz BSBMXCWPQMLOCF-QGZVFWFLSA-N 0 1 375.538 3.187 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2ccc(F)cc2C(F)(F)F)C1=O ZINC000191622126 1432694817 /nfs/dbraw/zinc/69/48/17/1432694817.db2.gz QAYKUEMQDWVNMZ-HNNXBMFYSA-N 0 1 384.377 3.346 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C1=O ZINC000191637525 1432697975 /nfs/dbraw/zinc/69/79/75/1432697975.db2.gz CDNCLOAACTZXJG-OAHLLOKOSA-N 0 1 384.377 3.346 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000191638983 1432698202 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Cc1cc(-n2ccnc2)ccc1CN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000191966760 1432770154 /nfs/dbraw/zinc/77/01/54/1432770154.db2.gz ZFDPARIXQWKJEE-UHFFFAOYSA-N 0 1 396.516 3.111 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000191974988 1432773073 /nfs/dbraw/zinc/77/30/73/1432773073.db2.gz QQNMLMPVFDIZCV-UHFFFAOYSA-N 0 1 388.489 3.095 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCSC[C@H](C)C2)N2CCCC2)cc1 ZINC000191981536 1432774062 /nfs/dbraw/zinc/77/40/62/1432774062.db2.gz FMHNWRJPSGXVBS-APWZRJJASA-N 0 1 377.554 3.227 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCSC[C@@H](C)C2)N2CCCC2)cc1 ZINC000191981555 1432774090 /nfs/dbraw/zinc/77/40/90/1432774090.db2.gz FMHNWRJPSGXVBS-QFBILLFUSA-N 0 1 377.554 3.227 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000191992480 1432776246 /nfs/dbraw/zinc/77/62/46/1432776246.db2.gz KNXJKGLOOZEHFT-QGZVFWFLSA-N 0 1 389.540 3.316 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191996085 1432776676 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C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192026937 1432781694 /nfs/dbraw/zinc/78/16/94/1432781694.db2.gz VIEAOOIEBSOCCA-YXKFXFPPSA-N 0 1 399.878 3.133 20 0 GGADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192026949 1432781733 /nfs/dbraw/zinc/78/17/33/1432781733.db2.gz VIEAOOIEBSOCCA-ASUYLVSUSA-N 0 1 399.878 3.133 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192026931 1432781834 /nfs/dbraw/zinc/78/18/34/1432781834.db2.gz VIEAOOIEBSOCCA-WSXQUGQNSA-N 0 1 399.878 3.133 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000192033433 1432782899 /nfs/dbraw/zinc/78/28/99/1432782899.db2.gz MIRVQGXLDOGIKG-OXQOHEQNSA-N 0 1 388.851 3.170 20 0 GGADMN COc1cc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000192034082 1432783188 /nfs/dbraw/zinc/78/31/88/1432783188.db2.gz UVVYOVVJFULEIQ-ICSRJNTNSA-N 0 1 390.867 3.416 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCCOc1cccc(F)c1 ZINC000192035608 1432783518 /nfs/dbraw/zinc/78/35/18/1432783518.db2.gz OXIQETDIMUNZAU-QUCCMNQESA-N 0 1 392.858 3.094 20 0 GGADMN Cc1cccc(OCCNC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192041244 1432784982 /nfs/dbraw/zinc/78/49/82/1432784982.db2.gz BKZRHMLQBWDUSU-FPOVZHCZSA-N 0 1 388.895 3.263 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192043045 1432785493 /nfs/dbraw/zinc/78/54/93/1432785493.db2.gz SBNILPSBKVOVHI-RTBURBONSA-N 0 1 395.908 3.242 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192045689 1432786084 /nfs/dbraw/zinc/78/60/84/1432786084.db2.gz DYOLRXSWULSLJB-UYAOXDASSA-N 0 1 387.867 3.357 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192045165 1432786146 /nfs/dbraw/zinc/78/61/46/1432786146.db2.gz SPURAVOJAWSDRZ-UYAOXDASSA-N 0 1 387.867 3.357 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192046031 1432786450 /nfs/dbraw/zinc/78/64/50/1432786450.db2.gz HPSOCBNXQHUARL-RXVVDRJESA-N 0 1 388.895 3.127 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192048303 1432786755 /nfs/dbraw/zinc/78/67/55/1432786755.db2.gz GTJIKBVNRAXLPA-CTNGQTDRSA-N 0 1 388.895 3.427 20 0 GGADMN COCCOc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000192053200 1432788073 /nfs/dbraw/zinc/78/80/73/1432788073.db2.gz CBNHCEDADITTKB-HXUWFJFHSA-N 0 1 386.492 3.191 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192060501 1432790338 /nfs/dbraw/zinc/79/03/38/1432790338.db2.gz LIEVSZUEZFHDJO-PZJWPPBQSA-N 0 1 388.895 3.222 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000192063875 1432791177 /nfs/dbraw/zinc/79/11/77/1432791177.db2.gz DIWYQVFKBGYTKQ-FXAWDEMLSA-N 0 1 390.867 3.416 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192063531 1432791201 /nfs/dbraw/zinc/79/12/01/1432791201.db2.gz ICQIFDKJRVZIIO-HKUYNNGSSA-N 0 1 388.851 3.185 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NCc1cc(F)cc(F)c1 ZINC000192073204 1432793198 /nfs/dbraw/zinc/79/31/98/1432793198.db2.gz LZHBKKQLWZPIOL-IEBWSBKVSA-N 0 1 398.812 3.493 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCc1cc(F)cc(F)c1 ZINC000192073210 1432793249 /nfs/dbraw/zinc/79/32/49/1432793249.db2.gz LZHBKKQLWZPIOL-MJGOQNOKSA-N 0 1 398.812 3.493 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCCOc1ccccc1 ZINC000192075249 1432793438 /nfs/dbraw/zinc/79/34/38/1432793438.db2.gz BNIWDNPEHKUINX-ICSRJNTNSA-N 0 1 392.858 3.094 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCCOc1ccccc1 ZINC000192075244 1432793461 /nfs/dbraw/zinc/79/34/61/1432793461.db2.gz BNIWDNPEHKUINX-QUCCMNQESA-N 0 1 392.858 3.094 20 0 GGADMN COc1cccc(CNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192076052 1432794039 /nfs/dbraw/zinc/79/40/39/1432794039.db2.gz HBYJRPLEAJNEEY-QUCCMNQESA-N 0 1 392.858 3.224 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ncc(F)cc2F)CC1 ZINC000192081456 1432794828 /nfs/dbraw/zinc/79/48/28/1432794828.db2.gz MBCQVVGBAVRAFB-UHFFFAOYSA-N 0 1 380.826 3.407 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NCc1ccccc1F ZINC000192083827 1432795084 /nfs/dbraw/zinc/79/50/84/1432795084.db2.gz RGEBCDWQFAXOFW-PKOBYXMFSA-N 0 1 380.822 3.354 20 0 GGADMN O=C(NCCc1cccs1)C1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192091160 1432796846 /nfs/dbraw/zinc/79/68/46/1432796846.db2.gz GESHXQPRYDHGKZ-HXUWFJFHSA-N 0 1 397.544 3.072 20 0 GGADMN O=C(Nc1ccc(F)cc1)C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192097829 1432797767 /nfs/dbraw/zinc/79/77/67/1432797767.db2.gz HPUGBDHYHWFWNH-FQEVSTJZSA-N 0 1 381.451 3.430 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000192100083 1432798048 /nfs/dbraw/zinc/79/80/48/1432798048.db2.gz CBWVVTLGXYRTBQ-DOADOZAASA-N 0 1 396.890 3.069 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192111325 1432799722 /nfs/dbraw/zinc/79/97/22/1432799722.db2.gz GVTYZYIBLAWNOP-XLIONFOSSA-N 0 1 376.403 3.422 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192113046 1432799934 /nfs/dbraw/zinc/79/99/34/1432799934.db2.gz UEYPYHYVUAXCPZ-ONGXBYRLSA-N 0 1 388.458 3.440 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192111318 1432800020 /nfs/dbraw/zinc/80/00/20/1432800020.db2.gz GVTYZYIBLAWNOP-FXAWDEMLSA-N 0 1 376.403 3.422 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192113161 1432800230 /nfs/dbraw/zinc/80/02/30/1432800230.db2.gz ZYGMYOCCPXHTMS-QUCCMNQESA-N 0 1 378.394 3.182 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192113168 1432800264 /nfs/dbraw/zinc/80/02/64/1432800264.db2.gz ZYGMYOCCPXHTMS-ICSRJNTNSA-N 0 1 378.394 3.182 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192117550 1432800637 /nfs/dbraw/zinc/80/06/37/1432800637.db2.gz SXGHPSPFVOPWFH-RXVVDRJESA-N 0 1 390.430 3.052 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000192119335 1432800919 /nfs/dbraw/zinc/80/09/19/1432800919.db2.gz VJQYWUSTWAFWOU-JBBXEZCESA-N 0 1 389.402 3.121 20 0 GGADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCc1ccccc1F ZINC000192119652 1432801132 /nfs/dbraw/zinc/80/11/32/1432801132.db2.gz WNXDZERZAKGJOE-ZUSMLRIVSA-N 0 1 378.394 3.228 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000192120714 1432801173 /nfs/dbraw/zinc/80/11/73/1432801173.db2.gz VITJSPFDCWILAD-FPOVZHCZSA-N 0 1 390.430 3.052 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000192124706 1432801849 /nfs/dbraw/zinc/80/18/49/1432801849.db2.gz LXTNEMZLHDXTKV-RHSMWYFYSA-N 0 1 396.463 3.073 20 0 GGADMN COc1cc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc(OC)c1 ZINC000192126163 1432802239 /nfs/dbraw/zinc/80/22/39/1432802239.db2.gz UCIFYVNQOVZPSD-UYAOXDASSA-N 0 1 392.402 3.040 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCc1ccc(F)cc1 ZINC000192130023 1432803177 /nfs/dbraw/zinc/80/31/77/1432803177.db2.gz RAZDTMHKROKXEO-YXKWSERDSA-N 0 1 378.394 3.228 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)on1 ZINC000192129997 1432803245 /nfs/dbraw/zinc/80/32/45/1432803245.db2.gz LRNGOPSHJDJBQC-KDOFPFPSSA-N 0 1 379.407 3.309 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000192130494 1432803458 /nfs/dbraw/zinc/80/34/58/1432803458.db2.gz MIGJUDZPPRBYPF-AZUAARDMSA-N 0 1 378.394 3.148 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000192130584 1432803482 /nfs/dbraw/zinc/80/34/82/1432803482.db2.gz YTCTXSYXEGOUBU-YOEHRIQHSA-N 0 1 396.463 3.217 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000192130571 1432803559 /nfs/dbraw/zinc/80/35/59/1432803559.db2.gz YTCTXSYXEGOUBU-WMLDXEAASA-N 0 1 396.463 3.217 20 0 GGADMN Cc1ccc(CN(C(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C2CC2)o1 ZINC000192130786 1432803593 /nfs/dbraw/zinc/80/35/93/1432803593.db2.gz IOAFSMYXAMBIBP-PZJWPPBQSA-N 0 1 390.430 3.477 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCc2ccccc2C1 ZINC000192132731 1432803838 /nfs/dbraw/zinc/80/38/38/1432803838.db2.gz LWQSTUVGNDSHSU-SZFUDVHCSA-N 0 1 386.442 3.358 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192132474 1432803874 /nfs/dbraw/zinc/80/38/74/1432803874.db2.gz AYBGZEUPRNBBSB-OXJNMPFZSA-N 0 1 376.403 3.340 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192132484 1432803907 /nfs/dbraw/zinc/80/39/07/1432803907.db2.gz AYBGZEUPRNBBSB-JXFKEZNVSA-N 0 1 376.403 3.340 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192132479 1432803916 /nfs/dbraw/zinc/80/39/16/1432803916.db2.gz AYBGZEUPRNBBSB-UZLBHIALSA-N 0 1 376.403 3.340 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCc1cccc(Cl)c1 ZINC000192133877 1432804072 /nfs/dbraw/zinc/80/40/72/1432804072.db2.gz NTIDOEAGSBFFOM-HKUYNNGSSA-N 0 1 380.822 3.354 20 0 GGADMN CCc1c(NC(=O)c2cnc3c(cnn3C)c2O)cnn1-c1cccc(Cl)c1 ZINC000192134264 1432804313 /nfs/dbraw/zinc/80/43/13/1432804313.db2.gz DZXKUTKRDIJBNB-UHFFFAOYSA-N 0 1 396.838 3.328 20 0 GGADMN CCc1c(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)cnn1-c1cccc(Cl)c1 ZINC000192134264 1432804318 /nfs/dbraw/zinc/80/43/18/1432804318.db2.gz DZXKUTKRDIJBNB-UHFFFAOYSA-N 0 1 396.838 3.328 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192134480 1432804403 /nfs/dbraw/zinc/80/44/03/1432804403.db2.gz TVADGYAAHLLEPU-CTNGQTDRSA-N 0 1 390.430 3.100 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192134484 1432804465 /nfs/dbraw/zinc/80/44/65/1432804465.db2.gz TVADGYAAHLLEPU-FPOVZHCZSA-N 0 1 390.430 3.100 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCCc1cccs1 ZINC000192136843 1432804635 /nfs/dbraw/zinc/80/46/35/1432804635.db2.gz OXBFHDFYHAJICK-NXOUGTEYSA-N 0 1 380.460 3.193 20 0 GGADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCCc1cccs1 ZINC000192136853 1432804676 /nfs/dbraw/zinc/80/46/76/1432804676.db2.gz OXBFHDFYHAJICK-OCBCSQNSSA-N 0 1 380.460 3.193 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192137304 1432804727 /nfs/dbraw/zinc/80/47/27/1432804727.db2.gz DTDWFYLGXFUSCG-OXQOHEQNSA-N 0 1 392.402 3.040 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192137310 1432804742 /nfs/dbraw/zinc/80/47/42/1432804742.db2.gz DTDWFYLGXFUSCG-OXJNMPFZSA-N 0 1 392.402 3.040 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000192138808 1432805284 /nfs/dbraw/zinc/80/52/84/1432805284.db2.gz YZMAGNBEYOCFLC-HKUYNNGSSA-N 0 1 380.822 3.354 20 0 GGADMN O=C1[C@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCN1c1c(F)cccc1F ZINC000192141359 1432805597 /nfs/dbraw/zinc/80/55/97/1432805597.db2.gz KGPIRUUNCJVEKK-YQVWRLOYSA-N 0 1 394.368 3.468 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192140396 1432805609 /nfs/dbraw/zinc/80/56/09/1432805609.db2.gz VDSZCKAMVPYMLL-CYXMAGCYSA-N 0 1 390.386 3.140 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccnn1C1CCCC1 ZINC000192142228 1432805886 /nfs/dbraw/zinc/80/58/86/1432805886.db2.gz YCVLUWOXEJSYDR-FXAWDEMLSA-N 0 1 390.434 3.335 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000192141839 1432805998 /nfs/dbraw/zinc/80/59/98/1432805998.db2.gz NEEALPTTXKFNQN-ZFWWWQNUSA-N 0 1 396.463 3.172 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000192142599 1432806012 /nfs/dbraw/zinc/80/60/12/1432806012.db2.gz KAXRSEIHXNUHBW-PXNSSMCTSA-N 0 1 392.402 3.040 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H](SCc2ccccc2)C(C)C)CC1 ZINC000192143617 1432806282 /nfs/dbraw/zinc/80/62/82/1432806282.db2.gz GNBSQRBLQRPDTL-FQEVSTJZSA-N 0 1 392.565 3.342 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192143342 1432806384 /nfs/dbraw/zinc/80/63/84/1432806384.db2.gz XCHNIIUBSXTWCJ-XMLVGPMBSA-N 0 1 390.430 3.270 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 ZINC000192144941 1432806547 /nfs/dbraw/zinc/80/65/47/1432806547.db2.gz MUZGRKSSHNFSBX-KRWDZBQOSA-N 0 1 380.916 3.306 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000192144520 1432806584 /nfs/dbraw/zinc/80/65/84/1432806584.db2.gz QLPKQRNYQPMTGC-UHFFFAOYSA-N 0 1 378.538 3.348 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCC1(c2ccccc2)CC1 ZINC000192143787 1432806709 /nfs/dbraw/zinc/80/67/09/1432806709.db2.gz NFMNWDAGUGQTGW-PZJWPPBQSA-N 0 1 386.442 3.232 20 0 GGADMN CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192145820 1432807023 /nfs/dbraw/zinc/80/70/23/1432807023.db2.gz VMZBHPRVTLBFFK-HNNXBMFYSA-N 0 1 382.888 3.140 20 0 GGADMN Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)s1 ZINC000192146251 1432807213 /nfs/dbraw/zinc/80/72/13/1432807213.db2.gz UXBNYLIBGOVCMQ-MRXNPFEDSA-N 0 1 387.505 3.130 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000192146747 1432807225 /nfs/dbraw/zinc/80/72/25/1432807225.db2.gz BBQWDZSJUXLWHX-INIZCTEOSA-N 0 1 378.538 3.348 20 0 GGADMN C[C@@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1cc2c(cc1Br)OCCO2 ZINC000192152526 1432808498 /nfs/dbraw/zinc/80/84/98/1432808498.db2.gz RVXOEIIVYNKBGX-VXGBXAGGSA-N 0 1 396.281 3.357 20 0 GGADMN C[C@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1cc2c(cc1Br)OCCO2 ZINC000192152521 1432808513 /nfs/dbraw/zinc/80/85/13/1432808513.db2.gz RVXOEIIVYNKBGX-NWDGAFQWSA-N 0 1 396.281 3.357 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccncc1C(F)(F)F ZINC000192156496 1432809273 /nfs/dbraw/zinc/80/92/73/1432809273.db2.gz MLGQYBJLMZYPCJ-UHFFFAOYSA-N 0 1 392.425 3.043 20 0 GGADMN Cn1ncc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1C(F)(F)F ZINC000192158547 1432809642 /nfs/dbraw/zinc/80/96/42/1432809642.db2.gz VEMZUCFYZJAUPB-HIFRSBDPSA-N 0 1 386.805 3.154 20 0 GGADMN Cn1ncc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1C(F)(F)F ZINC000192158551 1432809697 /nfs/dbraw/zinc/80/96/97/1432809697.db2.gz VEMZUCFYZJAUPB-ZFWWWQNUSA-N 0 1 386.805 3.154 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000192168357 1432811047 /nfs/dbraw/zinc/81/10/47/1432811047.db2.gz BERNKUISBVOMRR-MRXNPFEDSA-N 0 1 378.398 3.492 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000192168351 1432811107 /nfs/dbraw/zinc/81/11/07/1432811107.db2.gz BERNKUISBVOMRR-INIZCTEOSA-N 0 1 378.398 3.492 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1nc2c(cccc2Cl)s1 ZINC000192172903 1432811884 /nfs/dbraw/zinc/81/18/84/1432811884.db2.gz XAGNUFYPFSXSKN-UHFFFAOYSA-N 0 1 387.852 3.084 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000192173530 1432811908 /nfs/dbraw/zinc/81/19/08/1432811908.db2.gz XCPNTZNQLVFHDU-HOCLYGCPSA-N 0 1 378.398 3.492 20 0 GGADMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192190543 1432813878 /nfs/dbraw/zinc/81/38/78/1432813878.db2.gz YAFFUHRBDGSBLO-GOSISDBHSA-N 0 1 388.508 3.499 20 0 GGADMN CO[C@](C)(C(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccccc1F ZINC000192205236 1432815686 /nfs/dbraw/zinc/81/56/86/1432815686.db2.gz KUMQAGNSIASSJR-QFIPXVFZSA-N 0 1 392.515 3.038 20 0 GGADMN O=C(CCC(=O)c1ccccc1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192213371 1432817579 /nfs/dbraw/zinc/81/75/79/1432817579.db2.gz AQJPGVPOASOAIA-NRFANRHFSA-N 0 1 380.488 3.057 20 0 GGADMN COC(=O)c1sc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1Cl ZINC000192226958 1432819561 /nfs/dbraw/zinc/81/95/61/1432819561.db2.gz GBKHJNGNQNGBIX-CQSZACIVSA-N 0 1 395.912 3.286 20 0 GGADMN CO[C@@](C)(C(=O)Nc1cccc(CN2CCN(C)CC2)c1)c1ccccc1F ZINC000192228973 1432819920 /nfs/dbraw/zinc/81/99/20/1432819920.db2.gz VFWKUMRUNPQETF-JOCHJYFZSA-N 0 1 385.483 3.073 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)N(C)CC(F)(F)F ZINC000192239713 1432821252 /nfs/dbraw/zinc/82/12/52/1432821252.db2.gz SACXSHQYGVTFGT-HIFRSBDPSA-N 0 1 395.429 3.060 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCC(=O)OC(C)(C)C)CC1 ZINC000192257885 1432823581 /nfs/dbraw/zinc/82/35/81/1432823581.db2.gz ULRHCAVLKJFEAT-UHFFFAOYSA-N 0 1 381.904 3.152 20 0 GGADMN CC(C)Oc1ccc(N(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000192263922 1432824377 /nfs/dbraw/zinc/82/43/77/1432824377.db2.gz XDHLRKIXDRXQBI-UHFFFAOYSA-N 0 1 381.520 3.498 20 0 GGADMN CO[C@](C)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000192265453 1432824544 /nfs/dbraw/zinc/82/45/44/1432824544.db2.gz IFRMLQMFDCLTSA-KRWDZBQOSA-N 0 1 385.222 3.455 20 0 GGADMN CO[C@@](C)(C(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000192265449 1432824592 /nfs/dbraw/zinc/82/45/92/1432824592.db2.gz IFRMLQMFDCLTSA-QGZVFWFLSA-N 0 1 385.222 3.455 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@@H](C)CC1 ZINC000192274424 1432825970 /nfs/dbraw/zinc/82/59/70/1432825970.db2.gz AQISUISFGYMXDV-INIZCTEOSA-N 0 1 392.569 3.196 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@H](C)CC1 ZINC000192274431 1432826000 /nfs/dbraw/zinc/82/60/00/1432826000.db2.gz AQISUISFGYMXDV-MRXNPFEDSA-N 0 1 392.569 3.196 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000192320117 1432831491 /nfs/dbraw/zinc/83/14/91/1432831491.db2.gz AWEZDTVWFSBXBA-IBGZPJMESA-N 0 1 397.567 3.314 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192346082 1432834789 /nfs/dbraw/zinc/83/47/89/1432834789.db2.gz JLJUZUZCQOXVMB-LIRRHRJNSA-N 0 1 384.476 3.254 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192346154 1432834815 /nfs/dbraw/zinc/83/48/15/1432834815.db2.gz WNRFPTRWNXZBSA-HXUWFJFHSA-N 0 1 395.503 3.480 20 0 GGADMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192347865 1432834895 /nfs/dbraw/zinc/83/48/95/1432834895.db2.gz BYGOCDYATKWTIF-OAHLLOKOSA-N 0 1 388.489 3.463 20 0 GGADMN O=C(CN[C@H]1CCCc2c(O)cccc21)Nc1cccc(N2CCCC2=O)c1 ZINC000192348886 1432835011 /nfs/dbraw/zinc/83/50/11/1432835011.db2.gz LJAZUDVDRGWHIJ-IBGZPJMESA-N 0 1 379.460 3.125 20 0 GGADMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000192363017 1432837200 /nfs/dbraw/zinc/83/72/00/1432837200.db2.gz CKZYNIMWMQBYCQ-TXPKVOOTSA-N 0 1 396.487 3.046 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCSC[C@@H](C)C2)N2CCCC2)c1 ZINC000192365641 1432837466 /nfs/dbraw/zinc/83/74/66/1432837466.db2.gz JRNHCFGLQHVRNK-LPHOPBHVSA-N 0 1 377.554 3.227 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@H]2CCCc3c(O)cccc32)cc1OC ZINC000192365328 1432837597 /nfs/dbraw/zinc/83/75/97/1432837597.db2.gz YNCICQWBFNPHSU-BEFAXECRSA-N 0 1 398.503 3.424 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)CCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000192381187 1432839619 /nfs/dbraw/zinc/83/96/19/1432839619.db2.gz CFJLQRHBUXXMHM-IRXDYDNUSA-N 0 1 390.524 3.034 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCc2ccncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192384392 1432839886 /nfs/dbraw/zinc/83/98/86/1432839886.db2.gz LQXQIYMDICJJDA-LIRRHRJNSA-N 0 1 376.863 3.011 20 0 GGADMN CC(C)c1cnc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000192395799 1432840600 /nfs/dbraw/zinc/84/06/00/1432840600.db2.gz BWWHIXQUNJDQDU-IAGOWNOFSA-N 0 1 388.537 3.271 20 0 GGADMN CC(=O)c1c(C)oc2ncnc(NC[C@H]3CN(Cc4ccccc4)CCCO3)c21 ZINC000192399009 1432840892 /nfs/dbraw/zinc/84/08/92/1432840892.db2.gz BPLLTUXPOBXWAQ-SFHVURJKSA-N 0 1 394.475 3.437 20 0 GGADMN COc1ccc(OC)c([C@H](O)CNCc2c(F)cccc2Br)c1 ZINC000192454212 1432846666 /nfs/dbraw/zinc/84/66/66/1432846666.db2.gz KPVRIMWMSRNHFF-MRXNPFEDSA-N 0 1 384.245 3.429 20 0 GGADMN COc1cccc(SCC(=O)NCCCN2CCN(c3ccccc3)CC2)c1 ZINC000192459053 1432847295 /nfs/dbraw/zinc/84/72/95/1432847295.db2.gz SKHGJNMCAOLBSX-UHFFFAOYSA-N 0 1 399.560 3.116 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)c2C)o1 ZINC000192470246 1432848698 /nfs/dbraw/zinc/84/86/98/1432848698.db2.gz LXAZAEILZRZUMG-QGZVFWFLSA-N 0 1 392.459 3.459 20 0 GGADMN O=C(c1ccc(F)cc1)C1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000192474218 1432849137 /nfs/dbraw/zinc/84/91/37/1432849137.db2.gz FRZUJUFUIRSGSB-SFHVURJKSA-N 0 1 375.415 3.299 20 0 GGADMN CCCCc1ccc([C@H](NCc2cc(=O)n(C)c(=O)n2C)c2cccs2)cc1 ZINC000192485078 1432850144 /nfs/dbraw/zinc/85/01/44/1432850144.db2.gz CCORQQSUZRCHNA-NRFANRHFSA-N 0 1 397.544 3.367 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)NCc1nccc2ccccc21)N1CCOCC1 ZINC000192500865 1432851741 /nfs/dbraw/zinc/85/17/41/1432851741.db2.gz KGKYPTSPPSTQSQ-OAQYLSRUSA-N 0 1 384.524 3.171 20 0 GGADMN C[C@](N)(C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21)c1ccccc1 ZINC000192504470 1432852188 /nfs/dbraw/zinc/85/21/88/1432852188.db2.gz QVAVCPHSRIBXNE-UZUQRXQVSA-N 0 1 377.488 3.003 20 0 GGADMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192503696 1432852254 /nfs/dbraw/zinc/85/22/54/1432852254.db2.gz QWPGVJXGGBWUCR-OAQYLSRUSA-N 0 1 385.895 3.478 20 0 GGADMN COc1cc2[nH]c(CCCNC(=O)[C@@](C)(N)c3ccccc3)cc2c(OC)c1 ZINC000192508139 1432852705 /nfs/dbraw/zinc/85/27/05/1432852705.db2.gz VJGGPQDPJVKPJS-QFIPXVFZSA-N 0 1 381.476 3.108 20 0 GGADMN CCCc1csc(NC(=O)C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)n1 ZINC000192510262 1432853018 /nfs/dbraw/zinc/85/30/18/1432853018.db2.gz FNJDQBRUXZEAHZ-QGZVFWFLSA-N 0 1 388.537 3.016 20 0 GGADMN CCCc1csc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000192510990 1432853204 /nfs/dbraw/zinc/85/32/04/1432853204.db2.gz RRENXEKCSHCZQK-CQSZACIVSA-N 0 1 392.550 3.049 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Oc1cccc(C(=O)NCc2ccccc2)c1 ZINC000192525032 1432854806 /nfs/dbraw/zinc/85/48/06/1432854806.db2.gz AFEOABXWJYQTNL-UHFFFAOYSA-N 0 1 378.432 3.053 20 0 GGADMN C[C@H]1CCC[N@@H+](CCNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 ZINC000192530074 1432855323 /nfs/dbraw/zinc/85/53/23/1432855323.db2.gz LTPLYVCMXLOQHK-ZDUSSCGKSA-N 0 1 398.404 3.492 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 ZINC000192530060 1432855347 /nfs/dbraw/zinc/85/53/47/1432855347.db2.gz LTPLYVCMXLOQHK-CYBMUJFWSA-N 0 1 398.404 3.492 20 0 GGADMN O=C(c1ccc(F)cc1)N1CCCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000192530898 1432855628 /nfs/dbraw/zinc/85/56/28/1432855628.db2.gz DTPGTNFFAHYHAD-LJQANCHMSA-N 0 1 376.859 3.361 20 0 GGADMN COc1ccccc1N1CC[C@@H](N(C)[C@H](C)c2ccc(-n3cncn3)cc2)C1=O ZINC000192536731 1432856549 /nfs/dbraw/zinc/85/65/49/1432856549.db2.gz KTVGJTAJSIKFKP-OXQOHEQNSA-N 0 1 391.475 3.074 20 0 GGADMN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000192546846 1432857679 /nfs/dbraw/zinc/85/76/79/1432857679.db2.gz UROLWWOEYDCPNK-ZWKOTPCHSA-N 0 1 382.504 3.319 20 0 GGADMN O=S(=O)(CCN1CCCN(CC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000192549838 1432858272 /nfs/dbraw/zinc/85/82/72/1432858272.db2.gz KWZIAZXLXHQODP-UHFFFAOYSA-N 0 1 382.545 3.187 20 0 GGADMN O=C(CCN1CCCN(C(=O)c2ccc(F)cc2)CC1)Nc1cccc(F)c1 ZINC000192556337 1432859492 /nfs/dbraw/zinc/85/94/92/1432859492.db2.gz RUESUARNEQYLQD-UHFFFAOYSA-N 0 1 387.430 3.142 20 0 GGADMN COc1ccc(OCCCN2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000192560690 1432859963 /nfs/dbraw/zinc/85/99/63/1432859963.db2.gz DZCCCSFFICTQSE-UHFFFAOYSA-N 0 1 386.467 3.451 20 0 GGADMN COCc1ccc(NC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000192574593 1432861971 /nfs/dbraw/zinc/86/19/71/1432861971.db2.gz PTWYQCUSQXSQBH-UHFFFAOYSA-N 0 1 396.535 3.475 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000192576765 1432862258 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GGADMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)n1C ZINC000192641288 1432870136 /nfs/dbraw/zinc/87/01/36/1432870136.db2.gz HGEXGOFODUNJNJ-UHFFFAOYSA-N 0 1 380.414 3.356 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccccc1N1CCCCC1 ZINC000192662883 1432872853 /nfs/dbraw/zinc/87/28/53/1432872853.db2.gz ILWMXXFXCVASPT-UHFFFAOYSA-N 0 1 394.500 3.314 20 0 GGADMN COc1ccccc1N1CC[C@@H](NC2(c3ccc(F)cc3)CCOCC2)C1=O ZINC000192667887 1432873292 /nfs/dbraw/zinc/87/32/92/1432873292.db2.gz YVGTUPUHZLHFGL-GOSISDBHSA-N 0 1 384.451 3.235 20 0 GGADMN COc1ccccc1N1CC[C@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000192668817 1432873605 /nfs/dbraw/zinc/87/36/05/1432873605.db2.gz ALCFMGORYFHAAD-ICSRJNTNSA-N 0 1 396.487 3.187 20 0 GGADMN COc1ccccc1N1CC[C@@H](N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000192668831 1432873619 /nfs/dbraw/zinc/87/36/19/1432873619.db2.gz ALCFMGORYFHAAD-AZUAARDMSA-N 0 1 396.487 3.187 20 0 GGADMN O=S(=O)(CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1ccc(F)cc1 ZINC000192674807 1432874032 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COc1ccc([C@@H](CNC(=O)NCCCc2ccccc2)N(C)C)cc1OC ZINC000192722073 1432879834 /nfs/dbraw/zinc/87/98/34/1432879834.db2.gz WHBVUMFRLDTLFQ-LJQANCHMSA-N 0 1 385.508 3.239 20 0 GGADMN COc1ccc([C@H](CCO)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000192724315 1432880082 /nfs/dbraw/zinc/88/00/82/1432880082.db2.gz XTIIMHBRRFQFIH-OALUTQOASA-N 0 1 392.858 3.306 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000192726658 1432880786 /nfs/dbraw/zinc/88/07/86/1432880786.db2.gz RFCNVQKNVNYGOM-CQSZACIVSA-N 0 1 390.480 3.299 20 0 GGADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCN1CCCC1 ZINC000192745828 1432884135 /nfs/dbraw/zinc/88/41/35/1432884135.db2.gz FDBKSOZNBYMPTH-UHFFFAOYSA-N 0 1 375.469 3.274 20 0 GGADMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000192758472 1432885522 /nfs/dbraw/zinc/88/55/22/1432885522.db2.gz VFRIXSNEZWCMHC-DOTOQJQBSA-N 0 1 384.476 3.437 20 0 GGADMN CCOC(=O)c1oc2c(c1C)[C@H](N[C@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000192758509 1432885556 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CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(OC)c1)c1ccco1 ZINC000192792191 1432891503 /nfs/dbraw/zinc/89/15/03/1432891503.db2.gz ABYHSCXQTMQKGX-OAHLLOKOSA-N 0 1 393.871 3.079 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nnc5ccccn54)C3)n[nH]2)cc1 ZINC000192800226 1432892504 /nfs/dbraw/zinc/89/25/04/1432892504.db2.gz HVGHVEUGFZYXSK-KRWDZBQOSA-N 0 1 386.459 3.448 20 0 GGADMN COc1ccc(OC)c2c1CN(C(=O)c1cc(-c3ccc(C)cc3)[nH]n1)C[C@@H]2O ZINC000192800382 1432892634 /nfs/dbraw/zinc/89/26/34/1432892634.db2.gz IFWUNLCQAGBGAX-SFHVURJKSA-N 0 1 393.443 3.092 20 0 GGADMN Cc1cc(=O)n2nc(CN3CCC(c4c[nH]c5ccccc54)CC3)sc2n1 ZINC000192801928 1432892758 /nfs/dbraw/zinc/89/27/58/1432892758.db2.gz WKUSAHREHGNHPI-UHFFFAOYSA-N 0 1 379.489 3.320 20 0 GGADMN CCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000192809018 1432893390 /nfs/dbraw/zinc/89/33/90/1432893390.db2.gz LIXHVGOBAIUSGB-UHFFFAOYSA-N 0 1 377.448 3.382 20 0 GGADMN CCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000192809018 1432893392 /nfs/dbraw/zinc/89/33/92/1432893392.db2.gz LIXHVGOBAIUSGB-UHFFFAOYSA-N 0 1 377.448 3.382 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C[C@@H](C)O)C[C@@H]3C)cc2)c1 ZINC000192814484 1432894126 /nfs/dbraw/zinc/89/41/26/1432894126.db2.gz DRRSPAWDSHUBNX-RBUKOAKNSA-N 0 1 397.519 3.113 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000192820020 1432895006 /nfs/dbraw/zinc/89/50/06/1432895006.db2.gz RHAQVBJMWDKBOH-CYBMUJFWSA-N 0 1 398.891 3.184 20 0 GGADMN Cc1ccc(Oc2ccccc2NC(=O)CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000192823008 1432895152 /nfs/dbraw/zinc/89/51/52/1432895152.db2.gz LKDSRVGTRVCOPE-RBUKOAKNSA-N 0 1 397.519 3.113 20 0 GGADMN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCCN(Cc2ccccc2)CC1 ZINC000192835073 1432896790 /nfs/dbraw/zinc/89/67/90/1432896790.db2.gz WOTRDNDAUFUUBD-UHFFFAOYSA-N 0 1 395.528 3.469 20 0 GGADMN O=C(CCCCc1cn[nH]n1)O[C@H](c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000192846810 1432898304 /nfs/dbraw/zinc/89/83/04/1432898304.db2.gz LTZFDUKKIYHTLF-LJQANCHMSA-N 0 1 381.392 3.154 20 0 GGADMN O=C(c1ccc(O)cc1O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000192861978 1432900085 /nfs/dbraw/zinc/90/00/85/1432900085.db2.gz AEHHCJSWHJXPGE-UHFFFAOYSA-N 0 1 394.393 3.465 20 0 GGADMN C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)[C@@H](c1ccccc1)N(C)C ZINC000192862908 1432900450 /nfs/dbraw/zinc/90/04/50/1432900450.db2.gz FTTHOGKIAYJTNF-PXAZEXFGSA-N 0 1 392.912 3.186 20 0 GGADMN C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)[C@H](c1ccccc1)N(C)C ZINC000192862924 1432900462 /nfs/dbraw/zinc/90/04/62/1432900462.db2.gz FTTHOGKIAYJTNF-YVEFUNNKSA-N 0 1 392.912 3.186 20 0 GGADMN C[C@@H](NS(=O)(=O)C1=Cc2ccccc2OCC1)[C@H](c1ccccc1)N(C)C ZINC000192865372 1432900728 /nfs/dbraw/zinc/90/07/28/1432900728.db2.gz FNJZPNXISLPBSN-IIBYNOLFSA-N 0 1 386.517 3.421 20 0 GGADMN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccs2)c1 ZINC000192869243 1432901237 /nfs/dbraw/zinc/90/12/37/1432901237.db2.gz XMSHMYQLHGSTIZ-AWEZNQCLSA-N 0 1 395.550 3.068 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cc(N2CCCC2)ccn1)N1CCCC1 ZINC000192883157 1432902989 /nfs/dbraw/zinc/90/29/89/1432902989.db2.gz JWLCIMSSNWJPKK-NRFANRHFSA-N 0 1 394.519 3.257 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000192897360 1432904425 /nfs/dbraw/zinc/90/44/25/1432904425.db2.gz CTIUDBZONJVXMO-MRVPVSSYSA-N 0 1 390.358 3.241 20 0 GGADMN COc1ccc([C@H](CNC(=O)[C@H]2CSCCS2)N2CCCCC2)cc1 ZINC000192908776 1432905820 /nfs/dbraw/zinc/90/58/20/1432905820.db2.gz WSQXMUXINVKKPV-ZWKOTPCHSA-N 0 1 380.579 3.187 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(COC)cc1)c1ccsc1 ZINC000192919490 1432907901 /nfs/dbraw/zinc/90/79/01/1432907901.db2.gz UVCSJVCLESHSGL-GOSISDBHSA-N 0 1 389.521 3.032 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(s3)CCCCC4)ccc21 ZINC000192930984 1432909645 /nfs/dbraw/zinc/90/96/45/1432909645.db2.gz XXJYINWXXRKJLJ-UHFFFAOYSA-N 0 1 391.518 3.122 20 0 GGADMN COc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1F ZINC000192936974 1432910202 /nfs/dbraw/zinc/91/02/02/1432910202.db2.gz BQFQMKVNLJSHSH-UHFFFAOYSA-N 0 1 386.423 3.414 20 0 GGADMN Cc1sc2[nH]c(CSc3nc(-c4ccccc4O)n[nH]3)nc(=O)c2c1C ZINC000192945123 1432911424 /nfs/dbraw/zinc/91/14/24/1432911424.db2.gz ZSZSFVFPDQPCKR-UHFFFAOYSA-N 0 1 385.474 3.384 20 0 GGADMN O=C(NC1CC1)[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)c1ccc(F)cc1 ZINC000192952045 1432912006 /nfs/dbraw/zinc/91/20/06/1432912006.db2.gz PGANVTQCPNCJLN-INIZCTEOSA-N 0 1 384.436 3.428 20 0 GGADMN Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000192953221 1432912493 /nfs/dbraw/zinc/91/24/93/1432912493.db2.gz NBZAQFLFJAXBBA-CQSZACIVSA-N 0 1 382.489 3.325 20 0 GGADMN C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000192959289 1432913378 /nfs/dbraw/zinc/91/33/78/1432913378.db2.gz QVZACBIFDAEVLT-QFBILLFUSA-N 0 1 386.565 3.097 20 0 GGADMN Cc1c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cnn1C1CCCC1 ZINC000192981052 1432916494 /nfs/dbraw/zinc/91/64/94/1432916494.db2.gz JLRJUXFPVLSKJY-UHFFFAOYSA-N 0 1 381.524 3.306 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@H](O)c1ccc(C)cc1)N1CCCC1 ZINC000192991764 1432918305 /nfs/dbraw/zinc/91/83/05/1432918305.db2.gz YGWISYWCTLZAPZ-RTWAWAEBSA-N 0 1 397.519 3.173 20 0 GGADMN O=C(NCc1nccc2ccccc21)NCC1(N2CCOCC2)CCCCC1 ZINC000193002422 1432920120 /nfs/dbraw/zinc/92/01/20/1432920120.db2.gz MBSVZVGPBITDOJ-UHFFFAOYSA-N 0 1 382.508 3.069 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000193007016 1432921513 /nfs/dbraw/zinc/92/15/13/1432921513.db2.gz LJWKXMBVYVHDEU-QGZVFWFLSA-N 0 1 399.495 3.285 20 0 GGADMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193014461 1432922495 /nfs/dbraw/zinc/92/24/95/1432922495.db2.gz CEXPVNGGYNOHPW-KRWDZBQOSA-N 0 1 384.446 3.368 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193014461 1432922498 /nfs/dbraw/zinc/92/24/98/1432922498.db2.gz CEXPVNGGYNOHPW-KRWDZBQOSA-N 0 1 384.446 3.368 20 0 GGADMN O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000193017028 1432922683 /nfs/dbraw/zinc/92/26/83/1432922683.db2.gz AJVBATPUIFJHKV-UHFFFAOYSA-N 0 1 398.429 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GGADMN CC[C@H]1CCc2nc(NC(=O)N3CCN(CC4CCOCC4)CC3)sc2C1 ZINC000194474390 1433184001 /nfs/dbraw/zinc/18/40/01/1433184001.db2.gz PFKLEGDEXVOUPG-HNNXBMFYSA-N 0 1 392.569 3.234 20 0 GGADMN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)c1ccccc1 ZINC000194482937 1433185491 /nfs/dbraw/zinc/18/54/91/1433185491.db2.gz JXAGSBWDDKVIGW-HXUWFJFHSA-N 0 1 388.471 3.460 20 0 GGADMN CC[C@@H]1CCc2nc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)sc2C1 ZINC000194490477 1433186566 /nfs/dbraw/zinc/18/65/66/1433186566.db2.gz KWQFESDFBXDZCV-HZPDHXFCSA-N 0 1 392.569 3.234 20 0 GGADMN Cc1c([C@@H](C)NC(=O)N2CCN(CC3CC3)CC2)cnn1-c1ccc(F)cc1 ZINC000194498446 1433187932 /nfs/dbraw/zinc/18/79/32/1433187932.db2.gz VRSAPXOKLXGZJW-OAHLLOKOSA-N 0 1 385.487 3.118 20 0 GGADMN COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000194500061 1433187939 /nfs/dbraw/zinc/18/79/39/1433187939.db2.gz WLHWVTDPZZKLLL-HNNXBMFYSA-N 0 1 386.471 3.254 20 0 GGADMN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000194511526 1433190355 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C[C@H](CN1CCCCC1)NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000194845572 1433247090 /nfs/dbraw/zinc/24/70/90/1433247090.db2.gz GBDDMPDIKGOYKM-MRXNPFEDSA-N 0 1 375.488 3.304 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CCN([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000194853022 1433248802 /nfs/dbraw/zinc/24/88/02/1433248802.db2.gz ZMXOEIDSRZFMSF-KKSFZXQISA-N 0 1 376.497 3.242 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CCN([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000194858877 1433249843 /nfs/dbraw/zinc/24/98/43/1433249843.db2.gz GNLWAKLRNFTBSU-IIBYNOLFSA-N 0 1 376.497 3.324 20 0 GGADMN CCOC(=O)N1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000194863042 1433250998 /nfs/dbraw/zinc/25/09/98/1433250998.db2.gz HBYNDSFAHPTVFN-UHFFFAOYSA-N 0 1 388.295 3.486 20 0 GGADMN CC(C)C(=O)N1CCC(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)CC1 ZINC000194864132 1433251603 /nfs/dbraw/zinc/25/16/03/1433251603.db2.gz YCLFDPUWBIGTMQ-GOSISDBHSA-N 0 1 384.480 3.248 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(c3cccc(OC)c3)CC2)c1 ZINC000194877223 1433254170 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CN(C)c1noc([C@H]2CCCN(Cc3c[nH]nc3-c3c(F)cccc3F)C2)n1 ZINC000194929628 1433266872 /nfs/dbraw/zinc/26/68/72/1433266872.db2.gz JQKSANDLLVICBJ-LBPRGKRZSA-N 0 1 388.422 3.184 20 0 GGADMN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000194937038 1433268485 /nfs/dbraw/zinc/26/84/85/1433268485.db2.gz SVRUJTONADJPOU-UHFFFAOYSA-N 0 1 378.407 3.346 20 0 GGADMN COc1cccc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)c1OC(F)F ZINC000194939442 1433268862 /nfs/dbraw/zinc/26/88/62/1433268862.db2.gz KTSAOAZOLRFUOY-CYBMUJFWSA-N 0 1 382.411 3.125 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCC2(SC)CC2)CC1 ZINC000194941627 1433269169 /nfs/dbraw/zinc/26/91/69/1433269169.db2.gz QVNQVGORAQDWOF-HNNXBMFYSA-N 0 1 394.560 3.223 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(N3CCCC3)ccn2)CC1 ZINC000194942650 1433269546 /nfs/dbraw/zinc/26/95/46/1433269546.db2.gz AAPACJFGPXZYFK-KRWDZBQOSA-N 0 1 379.508 3.032 20 0 GGADMN C[C@@H](CCNC(=O)[C@H]1CCCN1Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000194951079 1433271406 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20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000194973341 1433275184 /nfs/dbraw/zinc/27/51/84/1433275184.db2.gz KAGZMXOJNXLYLX-LSDHHAIUSA-N 0 1 392.521 3.366 20 0 GGADMN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000194987854 1433277232 /nfs/dbraw/zinc/27/72/32/1433277232.db2.gz WGLGFPDQMSNFOP-UHFFFAOYSA-N 0 1 399.419 3.254 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@@H]1CCSc2ccccc21 ZINC000194997188 1433278453 /nfs/dbraw/zinc/27/84/53/1433278453.db2.gz VVYQIFSPIQQQPC-OAHLLOKOSA-N 0 1 383.498 3.039 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n[nH]2)cc1 ZINC000194997466 1433278646 /nfs/dbraw/zinc/27/86/46/1433278646.db2.gz FJPPHTRCXDNFGS-OAHLLOKOSA-N 0 1 384.480 3.372 20 0 GGADMN COc1ccc(C2(CN[C@@H](c3ncc[nH]3)c3cccnc3)CCOCC2)cc1 ZINC000194999141 1433278959 /nfs/dbraw/zinc/27/89/59/1433278959.db2.gz HKYNFUXZSWKTJL-HXUWFJFHSA-N 0 1 378.476 3.241 20 0 GGADMN Cc1sc2ncn(NC(=O)c3cc(Br)cs3)c(=O)c2c1C ZINC000195001348 1433279204 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O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cnn[nH]1 ZINC000195081484 1433290321 /nfs/dbraw/zinc/29/03/21/1433290321.db2.gz SAQPAWOOLCPHSA-UHFFFAOYSA-N 0 1 392.850 3.283 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(Cl)c1 ZINC000195092480 1433291416 /nfs/dbraw/zinc/29/14/16/1433291416.db2.gz KZHKGLJXVDERKS-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2ccco2)N(C)C)cc1OC ZINC000195121472 1433295210 /nfs/dbraw/zinc/29/52/10/1433295210.db2.gz FKJVYAANOJXGIE-GDBMZVCRSA-N 0 1 375.469 3.302 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000195153498 1433300137 /nfs/dbraw/zinc/30/01/37/1433300137.db2.gz ZHALWACHVRVNAW-UHFFFAOYSA-N 0 1 386.442 3.227 20 0 GGADMN O=S(=O)(Cc1cc(-c2ccccc2)on1)c1n[nH]c(Cc2cccs2)n1 ZINC000195162762 1433301412 /nfs/dbraw/zinc/30/14/12/1433301412.db2.gz HWLCCSSNQDIJNP-UHFFFAOYSA-N 0 1 386.458 3.086 20 0 GGADMN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000195182712 1433304066 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20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1cc(C)nn1-c1ccccn1)c1ccco1 ZINC000195255085 1433312430 /nfs/dbraw/zinc/31/24/30/1433312430.db2.gz IICGQHMKKKGDKS-INIZCTEOSA-N 0 1 382.468 3.373 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccccc1 ZINC000195262379 1433313109 /nfs/dbraw/zinc/31/31/09/1433313109.db2.gz LLZDGWZOWRWVAC-HKUYNNGSSA-N 0 1 389.293 3.223 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC2(C(N)=O)CCCCC2)c1 ZINC000195290855 1433315651 /nfs/dbraw/zinc/31/56/51/1433315651.db2.gz XFBUTARZCXAEMX-UHFFFAOYSA-N 0 1 379.504 3.237 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000195291407 1433315708 /nfs/dbraw/zinc/31/57/08/1433315708.db2.gz KIZRVZKALLHCTK-FQEVSTJZSA-N 0 1 398.507 3.030 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NCc2ccc(Oc3ccccc3)nc2)C[C@@H](C)O1 ZINC000195292001 1433315746 /nfs/dbraw/zinc/31/57/46/1433315746.db2.gz CYRCVAFXKUUESW-QZTJIDSGSA-N 0 1 398.507 3.172 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCc2cccnc21)N1CCCC1 ZINC000195320865 1433318677 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1433356824 /nfs/dbraw/zinc/35/68/24/1433356824.db2.gz GIUHDVKDBNOSMT-LJTDUEICSA-N 0 1 386.481 3.346 20 0 GGADMN C/C(=C\C(=O)N1CCN(CCCOCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000211195590 1433357307 /nfs/dbraw/zinc/35/73/07/1433357307.db2.gz DOCBZDKYLPHIRR-FYWRMAATSA-N 0 1 388.405 3.342 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)/C=C\c1ccc2c(c1)OCO2)N1CCCC1 ZINC000212809693 1433358751 /nfs/dbraw/zinc/35/87/51/1433358751.db2.gz BEWXQWGEFJDHID-JQYPEGPJSA-N 0 1 394.471 3.390 20 0 GGADMN COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)C(C)C)cc1 ZINC000216618103 1433364167 /nfs/dbraw/zinc/36/41/67/1433364167.db2.gz RGQWWZWRUSLNCX-IFXJQAMLSA-N 0 1 394.475 3.203 20 0 GGADMN C[C@H](CNCc1cc2c(cc1Br)OCO2)NC(=O)OC(C)(C)C ZINC000227679866 1433370283 /nfs/dbraw/zinc/37/02/83/1433370283.db2.gz GDBRUVXMKXATCT-SNVBAGLBSA-N 0 1 387.274 3.181 20 0 GGADMN CC(C)CCO[C@@H](C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000227783992 1433370517 /nfs/dbraw/zinc/37/05/17/1433370517.db2.gz LMQZSNOSDIFUBU-OTWHNJEPSA-N 0 1 376.541 3.363 20 0 GGADMN C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228291302 1433371045 /nfs/dbraw/zinc/37/10/45/1433371045.db2.gz WXNBHUGGZLEOJJ-SJORKVTESA-N 0 1 387.524 3.201 20 0 GGADMN C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228291286 1433371068 /nfs/dbraw/zinc/37/10/68/1433371068.db2.gz WXNBHUGGZLEOJJ-IRXDYDNUSA-N 0 1 387.524 3.201 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000228272207 1433371189 /nfs/dbraw/zinc/37/11/89/1433371189.db2.gz IILAZOVMZLBGFT-PZJWPPBQSA-N 0 1 385.552 3.415 20 0 GGADMN COCCN(CCNCc1ccc(Br)o1)C(=O)OC(C)(C)C ZINC000234627887 1433373786 /nfs/dbraw/zinc/37/37/86/1433373786.db2.gz GNQUZGQJDHHLRO-UHFFFAOYSA-N 0 1 377.279 3.015 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000236669543 1433375665 /nfs/dbraw/zinc/37/56/65/1433375665.db2.gz KJAGUVGRNZRVRA-UHFFFAOYSA-N 0 1 382.913 3.412 20 0 GGADMN CC(C)(CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccc(F)cc1 ZINC000236667031 1433375752 /nfs/dbraw/zinc/37/57/52/1433375752.db2.gz CNVHFYYICTXBLA-NRFANRHFSA-N 0 1 394.494 3.034 20 0 GGADMN c1sc(-c2ccccn2)nc1CNC[C@@H](c1ccccc1)N1CCOCC1 ZINC000236699618 1433376495 /nfs/dbraw/zinc/37/64/95/1433376495.db2.gz OYTSVQHKRWSQEE-FQEVSTJZSA-N 0 1 380.517 3.368 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000236721407 1433376905 /nfs/dbraw/zinc/37/69/05/1433376905.db2.gz PELRPZIWDKDHMI-SFHVURJKSA-N 0 1 390.505 3.089 20 0 GGADMN CCC(CC)(C[NH3+])C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000236719836 1433377073 /nfs/dbraw/zinc/37/70/73/1433377073.db2.gz QUDRSOFGVWAYIC-UHFFFAOYSA-N 0 1 375.494 3.191 20 0 GGADMN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@H]3NCCc4ccccc43)cc21 ZINC000236772967 1433378314 /nfs/dbraw/zinc/37/83/14/1433378314.db2.gz DKKJLHQGIMMNAY-FQEVSTJZSA-N 0 1 393.487 3.284 20 0 GGADMN CC(C)(C)C(=O)NCCNCc1cc(Br)ccc1OC(F)F ZINC000236790390 1433378902 /nfs/dbraw/zinc/37/89/02/1433378902.db2.gz LYSSTQSHRMSEPA-UHFFFAOYSA-N 0 1 379.245 3.302 20 0 GGADMN CCC(CC)(C[NH3+])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000236801450 1433379145 /nfs/dbraw/zinc/37/91/45/1433379145.db2.gz XMQDLNOOKSILJB-UHFFFAOYSA-N 0 1 389.521 3.043 20 0 GGADMN CCCC[C@H]([NH3+])C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000236852651 1433380964 /nfs/dbraw/zinc/38/09/64/1433380964.db2.gz VWCCEMIBIFULBT-KRWDZBQOSA-N 0 1 375.494 3.252 20 0 GGADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccsc1 ZINC000236859308 1433381253 /nfs/dbraw/zinc/38/12/53/1433381253.db2.gz LBMIMPKSUOUFTB-INIZCTEOSA-N 0 1 396.534 3.116 20 0 GGADMN CCCC[C@@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000236890279 1433382143 /nfs/dbraw/zinc/38/21/43/1433382143.db2.gz WUSPZKPISLWIPK-SFHVURJKSA-N 0 1 389.521 3.043 20 0 GGADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccsc1 ZINC000236902782 1433382659 /nfs/dbraw/zinc/38/26/59/1433382659.db2.gz LBMIMPKSUOUFTB-MRXNPFEDSA-N 0 1 396.534 3.116 20 0 GGADMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1NCCc2ccccc21 ZINC000236917958 1433383262 /nfs/dbraw/zinc/38/32/62/1433383262.db2.gz SZDSCZNWQPPHSU-GOSISDBHSA-N 0 1 389.293 3.390 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(CN)o2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000236956472 1433384018 /nfs/dbraw/zinc/38/40/18/1433384018.db2.gz ZQLXBZJDANDDRT-ZWKOTPCHSA-N 0 1 399.491 3.390 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]1NCCc3ccccc31)CC2 ZINC000236960576 1433384061 /nfs/dbraw/zinc/38/40/61/1433384061.db2.gz XGVLOVLGMQFNIY-QFIPXVFZSA-N 0 1 380.488 3.256 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000236964253 1433384249 /nfs/dbraw/zinc/38/42/49/1433384249.db2.gz ZPSXSOAGSLXUQD-VIFPVBQESA-N 0 1 391.781 3.020 20 0 GGADMN CC[C@H](C)NC(=O)CCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000236977233 1433384616 /nfs/dbraw/zinc/38/46/16/1433384616.db2.gz PSIBTIVDXBAFAB-LBPRGKRZSA-N 0 1 379.302 3.234 20 0 GGADMN CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000236981096 1433384927 /nfs/dbraw/zinc/38/49/27/1433384927.db2.gz XACDTJMTANFUIC-ACJLOTCBSA-N 0 1 375.494 3.108 20 0 GGADMN CCCOc1ccc(-c2csc(NC(=O)CNC[C@@H]3CCCO3)n2)cc1 ZINC000236989226 1433385171 /nfs/dbraw/zinc/38/51/71/1433385171.db2.gz CBOMQWMGXLXHSW-INIZCTEOSA-N 0 1 375.494 3.306 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1NCCc2ccccc21 ZINC000237012070 1433385710 /nfs/dbraw/zinc/38/57/10/1433385710.db2.gz YGGYBXXIUUMNFU-QFIPXVFZSA-N 0 1 378.520 3.034 20 0 GGADMN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H](N)c3ccccc3)ccc21 ZINC000237056614 1433387344 /nfs/dbraw/zinc/38/73/44/1433387344.db2.gz LXYZQGSXFUIVDE-NRFANRHFSA-N 0 1 378.476 3.148 20 0 GGADMN CN(C)C(=O)c1ccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]1 ZINC000237067898 1433387679 /nfs/dbraw/zinc/38/76/79/1433387679.db2.gz BBXKSTVBLONIIV-UHFFFAOYSA-N 0 1 394.450 3.398 20 0 GGADMN CCOc1cc(CNC(=O)[C@H]2NCCc3ccccc32)ccc1OC(F)F ZINC000237072086 1433387979 /nfs/dbraw/zinc/38/79/79/1433387979.db2.gz ZFEMYMSROWWMSL-SFHVURJKSA-N 0 1 376.403 3.190 20 0 GGADMN CC[C@H](C)C(=O)Nc1cccc(CNCc2ccccc2OCC(=O)N(C)C)c1 ZINC000237106863 1433389199 /nfs/dbraw/zinc/38/91/99/1433389199.db2.gz QMKVHWGRYBFLQI-KRWDZBQOSA-N 0 1 397.519 3.428 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@@H]1NCCc2ccccc21 ZINC000237117412 1433389795 /nfs/dbraw/zinc/38/97/95/1433389795.db2.gz LAQYTWOUYUKYCL-JOCHJYFZSA-N 0 1 392.478 3.494 20 0 GGADMN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000237128150 1433390272 /nfs/dbraw/zinc/39/02/72/1433390272.db2.gz UTAXEBCESQGJSX-QFIPXVFZSA-N 0 1 375.472 3.447 20 0 GGADMN COC(=O)CCSCc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2)c1 ZINC000237160398 1433391163 /nfs/dbraw/zinc/39/11/63/1433391163.db2.gz FYGSZGMWULJAEX-IBGZPJMESA-N 0 1 384.501 3.136 20 0 GGADMN COc1cc(CNCc2cccnc2-n2cccn2)cc(Br)c1O ZINC000237225680 1433393021 /nfs/dbraw/zinc/39/30/21/1433393021.db2.gz GLGMIXQFWWQRBJ-UHFFFAOYSA-N 0 1 389.253 3.034 20 0 GGADMN COc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000237221455 1433393088 /nfs/dbraw/zinc/39/30/88/1433393088.db2.gz BHPZGTYZRQPHIC-UHFFFAOYSA-N 0 1 387.911 3.498 20 0 GGADMN COc1cc(CNC[C@@H](O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000237235258 1433393631 /nfs/dbraw/zinc/39/36/31/1433393631.db2.gz ZHSDBMAHSDTYBD-OAHLLOKOSA-N 0 1 386.326 3.151 20 0 GGADMN COc1cc(N)c(Cl)cc1C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000237242341 1433393844 /nfs/dbraw/zinc/39/38/44/1433393844.db2.gz IDIVIUCOLOARNF-INIZCTEOSA-N 0 1 377.872 3.399 20 0 GGADMN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2)c1 ZINC000237258666 1433394747 /nfs/dbraw/zinc/39/47/47/1433394747.db2.gz BVUBJOJKOLDUET-OAQYLSRUSA-N 0 1 392.528 3.428 20 0 GGADMN COc1ccc(N2CCN(CCC[NH2+]Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000237271144 1433395266 /nfs/dbraw/zinc/39/52/66/1433395266.db2.gz COLCYVXJGUWLFH-UHFFFAOYSA-N 0 1 389.927 3.356 20 0 GGADMN COc1ccc(CNCc2cnc(N3CCOCC3)s2)c(C(F)(F)F)c1 ZINC000237271848 1433395290 /nfs/dbraw/zinc/39/52/90/1433395290.db2.gz WRQVEKXTMPKMCN-UHFFFAOYSA-N 0 1 387.427 3.297 20 0 GGADMN COc1ccc(OC)c([C@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000237278688 1433395719 /nfs/dbraw/zinc/39/57/19/1433395719.db2.gz DLYKFRURGXPTMW-MRXNPFEDSA-N 0 1 384.245 3.429 20 0 GGADMN COc1ccc(Br)c(CNC[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000237327133 1433397498 /nfs/dbraw/zinc/39/74/98/1433397498.db2.gz NEVIOQORPGYIHE-QGZVFWFLSA-N 0 1 396.281 3.298 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3cccc(OC(C)C)c3)C2=O)c1 ZINC000237354527 1433398703 /nfs/dbraw/zinc/39/87/03/1433398703.db2.gz VDKADKGPAOYXBQ-NRFANRHFSA-N 0 1 384.476 3.386 20 0 GGADMN C[C@H](CN1CCN(c2ccccn2)CC1)NCc1coc(-c2ccccc2)n1 ZINC000237373914 1433399495 /nfs/dbraw/zinc/39/94/95/1433399495.db2.gz LYTBKSMDGAEMRP-GOSISDBHSA-N 0 1 377.492 3.037 20 0 GGADMN Cc1c([C@@H](C)NC(=O)[C@@H]2NCCc3ccccc32)cnn1-c1ccc(F)cc1 ZINC000237373547 1433399552 /nfs/dbraw/zinc/39/95/52/1433399552.db2.gz ZARAUOXGIWYTKP-SPLOXXLWSA-N 0 1 378.451 3.384 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1NCCc2ccccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237374050 1433399584 /nfs/dbraw/zinc/39/95/84/1433399584.db2.gz PJVNQYSOZQIDKV-SJKOYZFVSA-N 0 1 382.851 3.454 20 0 GGADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)cn2)cc1OCC(C)C ZINC000237399231 1433400865 /nfs/dbraw/zinc/40/08/65/1433400865.db2.gz NBZGZPHKACHCRH-UHFFFAOYSA-N 0 1 384.524 3.489 20 0 GGADMN COc1cc2c(c(CNCc3cccc(CN4CCCC4=O)c3)c1)O[C@@H](C)C2 ZINC000237412776 1433401618 /nfs/dbraw/zinc/40/16/18/1433401618.db2.gz LCWFMXPSGXXAGM-INIZCTEOSA-N 0 1 380.488 3.431 20 0 GGADMN COc1cc2c(c(CN[C@@H](Cc3ccccc3)C(=O)N3CCCC3)c1)O[C@@H](C)C2 ZINC000237424126 1433402550 /nfs/dbraw/zinc/40/25/50/1433402550.db2.gz JBXMFRSSUNGXNH-JTSKRJEESA-N 0 1 394.515 3.342 20 0 GGADMN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000237435240 1433403027 /nfs/dbraw/zinc/40/30/27/1433403027.db2.gz GCANIBPYZZAGDG-SPEDKVCISA-N 0 1 376.504 3.110 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000237437595 1433403380 /nfs/dbraw/zinc/40/33/80/1433403380.db2.gz JRWFBPFLQKFLEL-CYBMUJFWSA-N 0 1 380.439 3.017 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3ccc4c(c3)CC(C)(C)O4)C2=O)c1 ZINC000237458381 1433404296 /nfs/dbraw/zinc/40/42/96/1433404296.db2.gz XUEBOQQVPRUICU-FQEVSTJZSA-N 0 1 396.487 3.312 20 0 GGADMN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237478068 1433405576 /nfs/dbraw/zinc/40/55/76/1433405576.db2.gz VMSNDTBQHYMGJQ-SJCJKPOMSA-N 0 1 382.851 3.282 20 0 GGADMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000237495282 1433406303 /nfs/dbraw/zinc/40/63/03/1433406303.db2.gz HZMFBOTZKKNCLR-HRAATJIYSA-N 0 1 377.488 3.354 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3NCCc4ccccc43)cc2F)C[C@H](C)O1 ZINC000237550144 1433408929 /nfs/dbraw/zinc/40/89/29/1433408929.db2.gz VFBUYVSYVSGMTH-LRAJWGHMSA-N 0 1 383.467 3.265 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@@H]2NCCc3ccccc32)C1 ZINC000237555057 1433409163 /nfs/dbraw/zinc/40/91/63/1433409163.db2.gz NPPCFZKGGBQWBS-HRAATJIYSA-N 0 1 383.923 3.478 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237554164 1433409245 /nfs/dbraw/zinc/40/92/45/1433409245.db2.gz ZPIKZZUDXIFUEO-ZDUSSCGKSA-N 0 1 382.430 3.435 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000237554757 1433409286 /nfs/dbraw/zinc/40/92/86/1433409286.db2.gz JRWFBPFLQKFLEL-ZDUSSCGKSA-N 0 1 380.439 3.017 20 0 GGADMN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN[C@@H](C)C2)c1 ZINC000237555364 1433409521 /nfs/dbraw/zinc/40/95/21/1433409521.db2.gz MUGGHAFINBEHBQ-KRWDZBQOSA-N 0 1 390.487 3.041 20 0 GGADMN Cc1cccc([C@@H](C)CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000237566295 1433409953 /nfs/dbraw/zinc/40/99/53/1433409953.db2.gz OYEBWRSASHAADC-AVRDEDQJSA-N 0 1 376.504 3.030 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3NCCc4ccccc43)cc2F)C[C@@H](C)O1 ZINC000237598425 1433411848 /nfs/dbraw/zinc/41/18/48/1433411848.db2.gz VFBUYVSYVSGMTH-VTJXTGGHSA-N 0 1 383.467 3.265 20 0 GGADMN Cc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000237642955 1433414537 /nfs/dbraw/zinc/41/45/37/1433414537.db2.gz ZWILDBRPGWSZGE-HXUWFJFHSA-N 0 1 395.484 3.434 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237646693 1433414623 /nfs/dbraw/zinc/41/46/23/1433414623.db2.gz CEEIOPXDRBUGNG-JKSUJKDBSA-N 0 1 387.505 3.252 20 0 GGADMN Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237652689 1433414893 /nfs/dbraw/zinc/41/48/93/1433414893.db2.gz ULUJZCDPYAFHGQ-HXUWFJFHSA-N 0 1 387.505 3.124 20 0 GGADMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNCc1nc2ccccc2n1C ZINC000237675339 1433416548 /nfs/dbraw/zinc/41/65/48/1433416548.db2.gz AXTOTAXADJQLFW-RHSMWYFYSA-N 0 1 388.512 3.423 20 0 GGADMN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1Cc2ccccc2CN1 ZINC000237674539 1433416695 /nfs/dbraw/zinc/41/66/95/1433416695.db2.gz WZAGLXQQCOHDTQ-HXUWFJFHSA-N 0 1 384.907 3.219 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C(C)(C)C[NH3+])ccc2C)c1 ZINC000237694744 1433417461 /nfs/dbraw/zinc/41/74/61/1433417461.db2.gz PNEMTGKADBCWTP-UHFFFAOYSA-N 0 1 375.494 3.028 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000237702323 1433417731 /nfs/dbraw/zinc/41/77/31/1433417731.db2.gz YXTGBKCQGCMQHT-IBGZPJMESA-N 0 1 399.491 3.264 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237746299 1433420754 /nfs/dbraw/zinc/42/07/54/1433420754.db2.gz PBAIFYHVFYHZCX-IBGZPJMESA-N 0 1 389.421 3.069 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3([NH3+])CCCC3)ccc2C)c1 ZINC000237753660 1433421108 /nfs/dbraw/zinc/42/11/08/1433421108.db2.gz FBSBQWSHKHAQNK-UHFFFAOYSA-N 0 1 387.505 3.314 20 0 GGADMN C[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)CCN1 ZINC000237755417 1433421127 /nfs/dbraw/zinc/42/11/27/1433421127.db2.gz ZBCGXYAVLDDEJU-AWEZNQCLSA-N 0 1 383.517 3.313 20 0 GGADMN Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCN[C@@H](C)C3)[C@@H]2c2cccs2)cc1 ZINC000237752855 1433421237 /nfs/dbraw/zinc/42/12/37/1433421237.db2.gz HFWCCQKCCUFFCK-YRISNDGFSA-N 0 1 397.544 3.361 20 0 GGADMN C[C@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CCN1 ZINC000237759139 1433421675 /nfs/dbraw/zinc/42/16/75/1433421675.db2.gz ALDVSKGSDWKSOD-LBPRGKRZSA-N 0 1 378.398 3.202 20 0 GGADMN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1Cc2ccccc2CN1 ZINC000237771991 1433422811 /nfs/dbraw/zinc/42/28/11/1433422811.db2.gz NSDWVOPPIJCARV-CQSZACIVSA-N 0 1 383.345 3.014 20 0 GGADMN Fc1ccc(CNCc2cnc(N3CCOCC3)s2)c(C(F)(F)F)c1 ZINC000237787450 1433424308 /nfs/dbraw/zinc/42/43/08/1433424308.db2.gz KSNQHHFSLZONRQ-UHFFFAOYSA-N 0 1 375.391 3.427 20 0 GGADMN N[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccccc1 ZINC000237804781 1433424989 /nfs/dbraw/zinc/42/49/89/1433424989.db2.gz XKBMKUFZARMPBD-IAGOWNOFSA-N 0 1 375.266 3.049 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1NCCc2ccccc21 ZINC000237813691 1433425640 /nfs/dbraw/zinc/42/56/40/1433425640.db2.gz BOJCYRZRIITZKB-FQEVSTJZSA-N 0 1 384.907 3.391 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000237831655 1433427306 /nfs/dbraw/zinc/42/73/06/1433427306.db2.gz KUELJJKJOMDDIO-QHCPKHFHSA-N 0 1 388.515 3.207 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCSc2c(F)cccc21 ZINC000237830450 1433427558 /nfs/dbraw/zinc/42/75/58/1433427558.db2.gz URPOOXZUGUXIPN-QGZVFWFLSA-N 0 1 376.501 3.031 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCSC2(CCCCC2)C1 ZINC000237835031 1433427860 /nfs/dbraw/zinc/42/78/60/1433427860.db2.gz INLOSCVKNXAVEI-FQEVSTJZSA-N 0 1 398.576 3.080 20 0 GGADMN Cc1nc2n(n1)C[C@H](NCc1c(C)nn(-c3cc(C)ccc3C)c1Cl)CC2 ZINC000237860844 1433430139 /nfs/dbraw/zinc/43/01/39/1433430139.db2.gz VAONLIBBBWNZNP-MRXNPFEDSA-N 0 1 384.915 3.455 20 0 GGADMN Cc1nn(C)c2ncc(CNCc3cccc(NC(=O)c4ccncc4)c3)cc12 ZINC000237897636 1433432428 /nfs/dbraw/zinc/43/24/28/1433432428.db2.gz QHJPHRWCACHHDM-UHFFFAOYSA-N 0 1 386.459 3.214 20 0 GGADMN Cc1cc(C)c(CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c(C)c1 ZINC000237903656 1433433242 /nfs/dbraw/zinc/43/32/42/1433433242.db2.gz ZWWFLUACHMRDCI-QFIPXVFZSA-N 0 1 376.504 3.043 20 0 GGADMN [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000237904257 1433433282 /nfs/dbraw/zinc/43/32/82/1433433282.db2.gz QPZLVDLELWBPHA-JSGCOSHPSA-N 0 1 393.896 3.207 20 0 GGADMN Cc1ccc(N2CC[C@@H](NCc3ccc(OC[C@@H]4CCCO4)cc3)C2=O)cc1 ZINC000237916024 1433434033 /nfs/dbraw/zinc/43/40/33/1433434033.db2.gz QTSNVFWHRQOBPF-FCHUYYIVSA-N 0 1 380.488 3.448 20 0 GGADMN [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000237933800 1433435636 /nfs/dbraw/zinc/43/56/36/1433435636.db2.gz HSJQYDVZWSLWFU-DLBZAZTESA-N 0 1 393.896 3.207 20 0 GGADMN O=C(CNCc1ccc(OC[C@H]2CCCO2)cc1)N1CCCc2ccccc21 ZINC000237947776 1433436476 /nfs/dbraw/zinc/43/64/76/1433436476.db2.gz QTCAGQNZMPMRJN-OAQYLSRUSA-N 0 1 380.488 3.313 20 0 GGADMN O=C([C@@H]1NCCc2ccccc21)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000237968223 1433437424 /nfs/dbraw/zinc/43/74/24/1433437424.db2.gz LWZHYSYYIRUFQZ-HXUWFJFHSA-N 0 1 388.471 3.330 20 0 GGADMN O=C(CCC1CC[NH2+]CC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000237974809 1433437726 /nfs/dbraw/zinc/43/77/26/1433437726.db2.gz GYTUJJUCUSKWKE-UHFFFAOYSA-N 0 1 387.505 3.206 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000237985664 1433438262 /nfs/dbraw/zinc/43/82/62/1433438262.db2.gz HHUROCMENJBNEG-QFIPXVFZSA-N 0 1 375.516 3.002 20 0 GGADMN [NH3+]Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000238008773 1433439067 /nfs/dbraw/zinc/43/90/67/1433439067.db2.gz BWEJJWXXSKEHNR-UHFFFAOYSA-N 0 1 381.457 3.198 20 0 GGADMN [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000238022760 1433439516 /nfs/dbraw/zinc/43/95/16/1433439516.db2.gz WAZGMKLHFPEMND-HIFRSBDPSA-N 0 1 391.468 3.083 20 0 GGADMN O=C(Nc1ccc(CNCc2cnc(N3CCOCC3)s2)cc1)c1ccco1 ZINC000238112230 1433443165 /nfs/dbraw/zinc/44/31/65/1433443165.db2.gz IMYOQRZGNCIPQB-UHFFFAOYSA-N 0 1 398.488 3.115 20 0 GGADMN O=C(Nc1cccc(CNC(=O)[C@H]2NCCc3ccccc32)c1)C1CCCC1 ZINC000238136590 1433443766 /nfs/dbraw/zinc/44/37/66/1433443766.db2.gz LSKUAJJIHIFOAZ-NRFANRHFSA-N 0 1 377.488 3.319 20 0 GGADMN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1Cc2ccccc2CN1 ZINC000238128954 1433444052 /nfs/dbraw/zinc/44/40/52/1433444052.db2.gz RSHCKIKFYASUHC-FGZHOGPDSA-N 0 1 386.499 3.140 20 0 GGADMN O=C(Nc1cccc(CNCc2cnc(N3CCOCC3)s2)c1)C1CCC1 ZINC000238142364 1433444273 /nfs/dbraw/zinc/44/42/73/1433444273.db2.gz NNBJDFBSMDXVIH-UHFFFAOYSA-N 0 1 386.521 3.008 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000244093565 1433451752 /nfs/dbraw/zinc/45/17/52/1433451752.db2.gz UFDYOWHCILWDJC-UHFFFAOYSA-N 0 1 378.398 3.251 20 0 GGADMN C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccn2)C1 ZINC000244164950 1433451869 /nfs/dbraw/zinc/45/18/69/1433451869.db2.gz VAECVROPQFIUKQ-SFHVURJKSA-N 0 1 393.535 3.322 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3ccccc3Br)cc2)CC1 ZINC000244370911 1433452777 /nfs/dbraw/zinc/45/27/77/1433452777.db2.gz XYUOHXXMHBFDCL-UHFFFAOYSA-N 0 1 388.309 3.382 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245200281 1433454325 /nfs/dbraw/zinc/45/43/25/1433454325.db2.gz JIZWAQZGGNGRRD-PKOBYXMFSA-N 0 1 389.540 3.443 20 0 GGADMN CCC[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245200236 1433454419 /nfs/dbraw/zinc/45/44/19/1433454419.db2.gz JCNIGUVUTUCZPR-PKOBYXMFSA-N 0 1 389.540 3.491 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245201718 1433454754 /nfs/dbraw/zinc/45/47/54/1433454754.db2.gz TWOAJWIMZHUBTF-IRXDYDNUSA-N 0 1 387.524 3.201 20 0 GGADMN C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245201719 1433454791 /nfs/dbraw/zinc/45/47/91/1433454791.db2.gz TWOAJWIMZHUBTF-SJORKVTESA-N 0 1 387.524 3.201 20 0 GGADMN CCCNC(=O)[C@H](C)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245385837 1433456629 /nfs/dbraw/zinc/45/66/29/1433456629.db2.gz HLUNCZRWHAGPBJ-DZGCQCFKSA-N 0 1 376.888 3.484 20 0 GGADMN CCCNC(=O)[C@@H](C)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245385838 1433456686 /nfs/dbraw/zinc/45/66/86/1433456686.db2.gz HLUNCZRWHAGPBJ-UKRRQHHQSA-N 0 1 376.888 3.484 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000245388861 1433457286 /nfs/dbraw/zinc/45/72/86/1433457286.db2.gz FRVGMSYSHYVBSR-MOPGFXCFSA-N 0 1 399.579 3.371 20 0 GGADMN CCN(C(=O)CN1CCC[C@@H](CNC(=O)C(C)C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000245389402 1433457750 /nfs/dbraw/zinc/45/77/50/1433457750.db2.gz HXIOEVKEPYVCBB-ROUUACIJSA-N 0 1 391.531 3.219 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245390217 1433458031 /nfs/dbraw/zinc/45/80/31/1433458031.db2.gz LEOMCGYSGOIJKN-QYZOEREBSA-N 0 1 385.552 3.227 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245392173 1433458855 /nfs/dbraw/zinc/45/88/55/1433458855.db2.gz SOPLHVOLJFDFDJ-IKGGRYGDSA-N 0 1 393.959 3.390 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000245393322 1433459153 /nfs/dbraw/zinc/45/91/53/1433459153.db2.gz VQQNLBOYYFUIRQ-NSHGMRRFSA-N 0 1 387.568 3.443 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000245393738 1433459282 /nfs/dbraw/zinc/45/92/82/1433459282.db2.gz WLZOBVUXAMVDAJ-ZACQAIPSSA-N 0 1 389.515 3.369 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245395043 1433459590 /nfs/dbraw/zinc/45/95/90/1433459590.db2.gz YZLOLBINTFYHFK-HZPDHXFCSA-N 0 1 395.494 3.113 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245395042 1433459688 /nfs/dbraw/zinc/45/96/88/1433459688.db2.gz YZLOLBINTFYHFK-CVEARBPZSA-N 0 1 395.494 3.113 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H](CC(N)=O)C1 ZINC000245409476 1433462649 /nfs/dbraw/zinc/46/26/49/1433462649.db2.gz MNWIEMQDBFQJIT-MNOVXSKESA-N 0 1 391.821 3.273 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245412067 1433462831 /nfs/dbraw/zinc/46/28/31/1433462831.db2.gz ZUMJPGIJNZOKDT-IRXDYDNUSA-N 0 1 381.476 3.393 20 0 GGADMN C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1)N1CCc2ccccc2C1 ZINC000245414311 1433463505 /nfs/dbraw/zinc/46/35/05/1433463505.db2.gz CFCYNTJTAKWVFK-DUXKGJEZSA-N 0 1 381.524 3.113 20 0 GGADMN CN(C(=O)CSC[C@H]1CCCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000245431146 1433466434 /nfs/dbraw/zinc/46/64/34/1433466434.db2.gz NXQRZRVZHGGYHD-WOJBJXKFSA-N 0 1 376.566 3.412 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)C(=O)N3CCc4ccccc43)C2)nc1 ZINC000245434734 1433466966 /nfs/dbraw/zinc/46/69/66/1433466966.db2.gz QAOOGADSNCRBHV-MJGOQNOKSA-N 0 1 392.503 3.018 20 0 GGADMN CN(CCC(=O)Nc1cccc2ccccc21)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245435859 1433467520 /nfs/dbraw/zinc/46/75/20/1433467520.db2.gz QQDPKNVICCNTIS-VQTJNVASSA-N 0 1 388.533 3.456 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000245436981 1433467553 /nfs/dbraw/zinc/46/75/53/1433467553.db2.gz DOUWXOMZTWZYSY-LSDHHAIUSA-N 0 1 396.516 3.297 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCS[C@H](C(C)C)C2)cc1OC ZINC000245440225 1433468198 /nfs/dbraw/zinc/46/81/98/1433468198.db2.gz GINSBUAJROXFFT-PXNSSMCTSA-N 0 1 392.565 3.441 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000245442285 1433468698 /nfs/dbraw/zinc/46/86/98/1433468698.db2.gz HWQKGVPQFNWNIW-AUSIDOKSSA-N 0 1 388.552 3.409 20 0 GGADMN O=C(CN1CCC[C@H]2CCC[C@H]21)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000245447287 1433469484 /nfs/dbraw/zinc/46/94/84/1433469484.db2.gz LXWSFBCZRGJBCV-VQIMIIECSA-N 0 1 387.549 3.079 20 0 GGADMN C[C@H](CC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1)Cc1cccc(F)c1 ZINC000245457269 1433471586 /nfs/dbraw/zinc/47/15/86/1433471586.db2.gz JQUDMMDPSCSDBY-LXGFNABISA-N 0 1 376.516 3.495 20 0 GGADMN Cc1cccc([C@@H]2CCCN2CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000245457830 1433471981 /nfs/dbraw/zinc/47/19/81/1433471981.db2.gz UNKLUYGIMWKZBZ-UTKZUKDTSA-N 0 1 397.494 3.265 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000245462288 1433473086 /nfs/dbraw/zinc/47/30/86/1433473086.db2.gz WXBGXCAQKSMQRX-VGSWGCGISA-N 0 1 392.515 3.158 20 0 GGADMN COc1cccc(COC[C@H](O)CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000245465948 1433473742 /nfs/dbraw/zinc/47/37/42/1433473742.db2.gz IZGJZZYPFFSMPC-OVBXVEMXSA-N 0 1 391.533 3.003 20 0 GGADMN COc1ccccc1COC[C@H](O)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245482463 1433476092 /nfs/dbraw/zinc/47/60/92/1433476092.db2.gz ZHYPXMRSEJPIJM-TUZCJGOLSA-N 0 1 391.533 3.003 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245483951 1433476435 /nfs/dbraw/zinc/47/64/35/1433476435.db2.gz GKMUSYYXCWPKTR-HUUCEWRRSA-N 0 1 384.904 3.021 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000245513765 1433479535 /nfs/dbraw/zinc/47/95/35/1433479535.db2.gz AWALNPTVDQJXOO-KFWWJZLASA-N 0 1 386.462 3.432 20 0 GGADMN C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C[C@@H]1CCCC[C@H]1O ZINC000245540977 1433482819 /nfs/dbraw/zinc/48/28/19/1433482819.db2.gz IVFNAMFAXNQHCZ-CGTJXYLNSA-N 0 1 385.464 3.033 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C[C@@H]1CCCC[C@H]1O ZINC000245540977 1433482821 /nfs/dbraw/zinc/48/28/21/1433482821.db2.gz IVFNAMFAXNQHCZ-CGTJXYLNSA-N 0 1 385.464 3.033 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000245551132 1433483954 /nfs/dbraw/zinc/48/39/54/1433483954.db2.gz IITMUPKELISDRZ-JKSUJKDBSA-N 0 1 382.489 3.053 20 0 GGADMN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@@H]1CCCC[C@H]1O ZINC000245553973 1433484390 /nfs/dbraw/zinc/48/43/90/1433484390.db2.gz RXPBKUYVRYABMC-PGRDOPGGSA-N 0 1 381.520 3.267 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C[C@H]1CCCC[C@H]1O ZINC000245553072 1433484435 /nfs/dbraw/zinc/48/44/35/1433484435.db2.gz RAALJVMRHROODQ-IAQYHMDHSA-N 0 1 384.402 3.003 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C[C@H]1CCCC[C@H]1O ZINC000245553072 1433484445 /nfs/dbraw/zinc/48/44/45/1433484445.db2.gz RAALJVMRHROODQ-IAQYHMDHSA-N 0 1 384.402 3.003 20 0 GGADMN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@H]1CCCC[C@H]1O ZINC000245553976 1433484485 /nfs/dbraw/zinc/48/44/85/1433484485.db2.gz RXPBKUYVRYABMC-XMSQKQJNSA-N 0 1 381.520 3.267 20 0 GGADMN NC(=O)CC[C@H]1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245564741 1433485880 /nfs/dbraw/zinc/48/58/80/1433485880.db2.gz QWCJJSVBQGBCKQ-CRAIPNDOSA-N 0 1 380.916 3.375 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000245567305 1433486437 /nfs/dbraw/zinc/48/64/37/1433486437.db2.gz UMQKXOYFVWXXCG-WOJBJXKFSA-N 0 1 394.943 3.194 20 0 GGADMN Cc1cccc2c(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@H]3CO)c[nH]c21 ZINC000245571982 1433486810 /nfs/dbraw/zinc/48/68/10/1433486810.db2.gz CASWEYDJMTZLGN-UGKGYDQZSA-N 0 1 391.515 3.018 20 0 GGADMN O=C(Cc1ccc(F)cc1Cl)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000245575196 1433487132 /nfs/dbraw/zinc/48/71/32/1433487132.db2.gz FGVBBKZSPSXLLL-XLIONFOSSA-N 0 1 390.886 3.021 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)c1 ZINC000245574358 1433487169 /nfs/dbraw/zinc/48/71/69/1433487169.db2.gz HIUNLXJFGXAHPU-IEZWGBDMSA-N 0 1 383.496 3.120 20 0 GGADMN CC[C@@H](CSC)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245583474 1433488080 /nfs/dbraw/zinc/48/80/80/1433488080.db2.gz ILIIEJXRDMYEAN-IRXDYDNUSA-N 0 1 378.538 3.195 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC[N@H+]1C[C@H](C)O ZINC000245583230 1433488102 /nfs/dbraw/zinc/48/81/02/1433488102.db2.gz IEJMBDPDHGNZDY-XJKSGUPXSA-N 0 1 388.537 3.483 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCN1C[C@H](C)O ZINC000245583230 1433488103 /nfs/dbraw/zinc/48/81/03/1433488103.db2.gz IEJMBDPDHGNZDY-XJKSGUPXSA-N 0 1 388.537 3.483 20 0 GGADMN C[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245596645 1433489151 /nfs/dbraw/zinc/48/91/51/1433489151.db2.gz RZLZFMZWIZWWMP-AGHHOFFYSA-N 0 1 384.495 3.004 20 0 GGADMN CCN(C)[C@H](C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1 ZINC000245596646 1433489173 /nfs/dbraw/zinc/48/91/73/1433489173.db2.gz COZKHBDJEIKNFD-GMAHTHKFSA-N 0 1 393.531 3.029 20 0 GGADMN CCC1(CC)[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)[C@@H](C)[C@H]1OC ZINC000245597712 1433489467 /nfs/dbraw/zinc/48/94/67/1433489467.db2.gz JBABZNCZQGKUJD-NSISKUIASA-N 0 1 388.556 3.185 20 0 GGADMN CCCOc1cccc(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000245604765 1433490055 /nfs/dbraw/zinc/49/00/55/1433490055.db2.gz XYMSWWPRNCJWBR-GMAHTHKFSA-N 0 1 396.531 3.017 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000245613034 1433490952 /nfs/dbraw/zinc/49/09/52/1433490952.db2.gz KGSRZXYUIVEQIN-ZWKOTPCHSA-N 0 1 393.409 3.462 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245617067 1433491665 /nfs/dbraw/zinc/49/16/65/1433491665.db2.gz DFHLKAUKLKZUIO-SFTDATJTSA-N 0 1 395.503 3.222 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245622275 1433491901 /nfs/dbraw/zinc/49/19/01/1433491901.db2.gz FMFKYCPJOVDEHR-UXHICEINSA-N 0 1 379.504 3.484 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245623238 1433492315 /nfs/dbraw/zinc/49/23/15/1433492315.db2.gz FTDCDCZRFJHVEV-RTWAWAEBSA-N 0 1 395.503 3.366 20 0 GGADMN CCC1(CC)[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)[C@H](C)[C@H]1OC ZINC000245634618 1433493469 /nfs/dbraw/zinc/49/34/69/1433493469.db2.gz WKQQANSCVYNRHH-PWIZWCRZSA-N 0 1 388.556 3.185 20 0 GGADMN CCC(CC)n1nc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C ZINC000245638704 1433494249 /nfs/dbraw/zinc/49/42/49/1433494249.db2.gz XXQYXBPZLHDHLT-UGKGYDQZSA-N 0 1 398.551 3.165 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NCC2(O)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245647825 1433495055 /nfs/dbraw/zinc/49/50/55/1433495055.db2.gz BQXLYMYNKJXXPC-CRAIPNDOSA-N 0 1 397.922 3.466 20 0 GGADMN CN1CC[C@H](CNC(=O)NCC2(O)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245647825 1433495057 /nfs/dbraw/zinc/49/50/57/1433495057.db2.gz BQXLYMYNKJXXPC-CRAIPNDOSA-N 0 1 397.922 3.466 20 0 GGADMN C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245649816 1433495307 /nfs/dbraw/zinc/49/53/07/1433495307.db2.gz CCOCXLZOBGTRKR-JDFRZJQESA-N 0 1 397.922 3.139 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000245653119 1433495789 /nfs/dbraw/zinc/49/57/89/1433495789.db2.gz 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ZINC000245673134 1433497831 /nfs/dbraw/zinc/49/78/31/1433497831.db2.gz ILHKDJWDOKKFJC-OSGQAZFXSA-N 0 1 397.922 3.322 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)NCc3cccs3)ccc2NC1=O ZINC000245682417 1433498679 /nfs/dbraw/zinc/49/86/79/1433498679.db2.gz GPIIFCFYLGSLPU-XNJGSVPQSA-N 0 1 387.505 3.213 20 0 GGADMN C[C@H](C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000245690497 1433500043 /nfs/dbraw/zinc/50/00/43/1433500043.db2.gz LRTYKAKSCDZLHG-SIIHOXLZSA-N 0 1 399.963 3.025 20 0 GGADMN C[C@H](O)C[C@H](C)CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245694229 1433501203 /nfs/dbraw/zinc/50/12/03/1433501203.db2.gz MHMQSOUMJYVCCT-FHKFTOANSA-N 0 1 385.911 3.178 20 0 GGADMN CN1CC[C@H](CNC(=O)NCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245705904 1433503023 /nfs/dbraw/zinc/50/30/23/1433503023.db2.gz OEFCMXLPSRFOOV-CRAIPNDOSA-N 0 1 376.863 3.366 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CC[C@@]3(CCOC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245707172 1433503517 /nfs/dbraw/zinc/50/35/17/1433503517.db2.gz OKSCLAGWVBSHSS-MOXGXCLJSA-N 0 1 395.906 3.294 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245709749 1433503803 /nfs/dbraw/zinc/50/38/03/1433503803.db2.gz OWJWFGJTKVBQOU-DKSSEZFCSA-N 0 1 385.911 3.322 20 0 GGADMN Cc1nccc(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000245713395 1433504535 /nfs/dbraw/zinc/50/45/35/1433504535.db2.gz PQIVZCMNVGSJQF-KDOFPFPSSA-N 0 1 391.878 3.070 20 0 GGADMN CN1CC[C@H](CNC(=O)NCCc2nccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245718803 1433505212 /nfs/dbraw/zinc/50/52/12/1433505212.db2.gz QRDXHOSXBMCQEY-CXAGYDPISA-N 0 1 396.919 3.470 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCOC[C@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245719558 1433505387 /nfs/dbraw/zinc/50/53/87/1433505387.db2.gz QWTWYRJOGDUVAE-MNEFBYGVSA-N 0 1 395.906 3.292 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245717246 1433505408 /nfs/dbraw/zinc/50/54/08/1433505408.db2.gz GUONDEABQHWTNG-DGCLKSJQSA-N 0 1 375.423 3.167 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245717246 1433505411 /nfs/dbraw/zinc/50/54/11/1433505411.db2.gz GUONDEABQHWTNG-DGCLKSJQSA-N 0 1 375.423 3.167 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000245720142 1433505776 /nfs/dbraw/zinc/50/57/76/1433505776.db2.gz ALTWBJMNSFLYHU-KHYOSLBOSA-N 0 1 387.549 3.211 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCCCO[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000245720464 1433505909 /nfs/dbraw/zinc/50/59/09/1433505909.db2.gz HJPSZUYJEAWKRZ-VSKRKVRLSA-N 0 1 393.616 3.381 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCCCO[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000245720473 1433505936 /nfs/dbraw/zinc/50/59/36/1433505936.db2.gz HJPSZUYJEAWKRZ-YPAWHYETSA-N 0 1 393.616 3.381 20 0 GGADMN CN1CC[C@@H](CNC(=O)N(CCCCO)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245738676 1433508759 /nfs/dbraw/zinc/50/87/59/1433508759.db2.gz VGMVVAJWDCAJGI-HNAYVOBHSA-N 0 1 397.922 3.418 20 0 GGADMN O=C1[C@H](N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CCCN1c1ccccc1F ZINC000245738716 1433508869 /nfs/dbraw/zinc/50/88/69/1433508869.db2.gz LEKFMUDVXOYKAH-CRAIPNDOSA-N 0 1 383.471 3.196 20 0 GGADMN CN1CC[C@H](CNC(=O)N(CCCCO)C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245738669 1433508991 /nfs/dbraw/zinc/50/89/91/1433508991.db2.gz VGMVVAJWDCAJGI-DNVCBOLYSA-N 0 1 397.922 3.418 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CCC(=O)C[C@H]2C)CC1 ZINC000245745112 1433509910 /nfs/dbraw/zinc/50/99/10/1433509910.db2.gz FTFAKLRSPWXGSQ-GJYPPUQNSA-N 0 1 389.515 3.150 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245747976 1433510699 /nfs/dbraw/zinc/51/06/99/1433510699.db2.gz XCZLEXSCFHTCNS-MAUKXSAKSA-N 0 1 389.858 3.001 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000245751060 1433511627 /nfs/dbraw/zinc/51/16/27/1433511627.db2.gz OARPLVKRGYAOJC-SUMWQHHRSA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 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C[C@@H](NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000246561370 1433631304 /nfs/dbraw/zinc/63/13/04/1433631304.db2.gz KTAZZFRWVBFEKU-GCJKJVERSA-N 0 1 396.535 3.131 20 0 GGADMN C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246562565 1433631395 /nfs/dbraw/zinc/63/13/95/1433631395.db2.gz KRZYNHURBVSWHB-BBWFWOEESA-N 0 1 381.561 3.449 20 0 GGADMN O=C(CN1CCC[C@@H](Cn2ccnn2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000246566508 1433632350 /nfs/dbraw/zinc/63/23/50/1433632350.db2.gz FHSSJOCTBAQUJZ-VGOFRKELSA-N 0 1 399.514 3.177 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246571788 1433632818 /nfs/dbraw/zinc/63/28/18/1433632818.db2.gz GMIOHOODDJBYJH-ZYSHUDEJSA-N 0 1 396.453 3.380 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246570652 1433632847 /nfs/dbraw/zinc/63/28/47/1433632847.db2.gz VLPPESAIERVMNF-QRQLOZEOSA-N 0 1 392.565 3.460 20 0 GGADMN CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)COc2ccc(NC(C)=O)cc2)s1 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KTLVUQNFLVQPEE-KRWDZBQOSA-N 0 1 376.545 3.232 20 0 GGADMN COCCO[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000249357038 1433841611 /nfs/dbraw/zinc/84/16/11/1433841611.db2.gz LGFGRZJEEGAPTE-RTWAWAEBSA-N 0 1 388.552 3.385 20 0 GGADMN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000249366715 1433841754 /nfs/dbraw/zinc/84/17/54/1433841754.db2.gz OLUKQRPTTKAGOU-HOCLYGCPSA-N 0 1 381.904 3.456 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1CC(C)(C)O ZINC000249383012 1433842151 /nfs/dbraw/zinc/84/21/51/1433842151.db2.gz PJRUXBUEFNMOGX-XYPHTWIQSA-N 0 1 384.442 3.113 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(OC(C)C)cc2Cl)CCN1C[C@H](C)O ZINC000249392344 1433842505 /nfs/dbraw/zinc/84/25/05/1433842505.db2.gz SAMOGDYYEXLJPU-GJZGRUSLSA-N 0 1 383.920 3.436 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249423134 1433843426 /nfs/dbraw/zinc/84/34/26/1433843426.db2.gz XJWLHPXJEMOVQK-RTBURBONSA-N 0 1 395.547 3.458 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249423132 1433843473 /nfs/dbraw/zinc/84/34/73/1433843473.db2.gz XJWLHPXJEMOVQK-RBUKOAKNSA-N 0 1 395.547 3.458 20 0 GGADMN CC[C@@H]1[C@H](C)CCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000249441138 1433843957 /nfs/dbraw/zinc/84/39/57/1433843957.db2.gz MAYMNVXPEHLWJH-XPKDYRNWSA-N 0 1 383.414 3.413 20 0 GGADMN C[C@H](O)CN1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@H](C)C1 ZINC000249456439 1433844220 /nfs/dbraw/zinc/84/42/20/1433844220.db2.gz YDWZDZYIEYDJIC-KGLIPLIRSA-N 0 1 383.414 3.247 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@@H]1CCC[C@H]1CCO ZINC000249481383 1433844625 /nfs/dbraw/zinc/84/46/25/1433844625.db2.gz BKVCRRUQUMIQCO-KFKAGJAMSA-N 0 1 379.932 3.327 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C1(Cc2cccc(F)c2)CCC1 ZINC000249485008 1433844795 /nfs/dbraw/zinc/84/47/95/1433844795.db2.gz XZKILFDCRCFLMQ-VXKWHMMOSA-N 0 1 396.506 3.290 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCN(C[C@@H](C)O)C[C@H]3C)cs2)cc1 ZINC000249498471 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20 0 GGADMN CCC1(CC)[C@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)[C@@H](C)[C@H]1OC ZINC000253597151 1433869838 /nfs/dbraw/zinc/86/98/38/1433869838.db2.gz DLGUBJSBUFSKGL-QQGDVQBRSA-N 0 1 389.496 3.282 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1 ZINC000253604372 1433870039 /nfs/dbraw/zinc/87/00/39/1433870039.db2.gz UGCSHSBBLJWMHK-OALUTQOASA-N 0 1 382.504 3.495 20 0 GGADMN C[C@@H]1CN(CCCNc2cc(C(=O)NC3CC3)c3ccccc3n2)C[C@H](C)O1 ZINC000253603049 1433870093 /nfs/dbraw/zinc/87/00/93/1433870093.db2.gz IGELEMASYGKRSV-IYBDPMFKSA-N 0 1 382.508 3.038 20 0 GGADMN CC(=O)NC[C@@H]1CCCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000255141710 1433877484 /nfs/dbraw/zinc/87/74/84/1433877484.db2.gz ZDCOOZNCUKSQNF-QUCCMNQESA-N 0 1 393.531 3.129 20 0 GGADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000255205644 1433878426 /nfs/dbraw/zinc/87/84/26/1433878426.db2.gz AKPDMFUBQVPSOW-PXAMLJHWSA-N 0 1 384.911 3.075 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000255205645 1433878487 /nfs/dbraw/zinc/87/84/87/1433878487.db2.gz AKPDMFUBQVPSOW-SECOEOQKSA-N 0 1 384.911 3.075 20 0 GGADMN CCOc1cc(/C=C\C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1O ZINC000255232988 1433878711 /nfs/dbraw/zinc/87/87/11/1433878711.db2.gz FNDOHXNIOWQMMP-WZUFQYTHSA-N 0 1 381.476 3.195 20 0 GGADMN C/C(=C/C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1OC(F)F ZINC000255355038 1433881019 /nfs/dbraw/zinc/88/10/19/1433881019.db2.gz QNRCVVPKFOPPEQ-NOCRFKNCSA-N 0 1 394.462 3.262 20 0 GGADMN C[C@H](CNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)N1CCN(C)CC1 ZINC000255491326 1433883471 /nfs/dbraw/zinc/88/34/71/1433883471.db2.gz DZANIYJLTFHZTQ-ACVFHECNSA-N 0 1 389.849 3.124 20 0 GGADMN O=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000255550225 1433884942 /nfs/dbraw/zinc/88/49/42/1433884942.db2.gz WJBIETQLABQXKO-XQRVVYSFSA-N 0 1 397.441 3.491 20 0 GGADMN Cc1ccc(OC[C@H](O)CN2CCN(C/C=C\c3ccccc3)CC2)c(C)c1 ZINC000255774769 1433889431 /nfs/dbraw/zinc/88/94/31/1433889431.db2.gz PGZCHTFIJCGWOV-FBQZBAQISA-N 0 1 380.532 3.374 20 0 GGADMN Cc1ncc(/C=C\C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000255873452 1433890673 /nfs/dbraw/zinc/89/06/73/1433890673.db2.gz QYCOCLLCXXCIEZ-ALLYREJPSA-N 0 1 385.533 3.390 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@@H](C)OC[C@H]1CCCO1)c1ccccc1Cl ZINC000255896539 1433891235 /nfs/dbraw/zinc/89/12/35/1433891235.db2.gz WDUJMJWIDRQOSH-GPMSIDNRSA-N 0 1 382.932 3.423 20 0 GGADMN O[C@@H](COc1ccc(F)cc1)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000256038747 1433893024 /nfs/dbraw/zinc/89/30/24/1433893024.db2.gz RSHKRANFVWXBAL-CTNGQTDRSA-N 0 1 377.431 3.386 20 0 GGADMN Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCCN(C)CC3)[C@H]2c2cccs2)cc1 ZINC000261370013 1433895258 /nfs/dbraw/zinc/89/52/58/1433895258.db2.gz UYBQZJWQBNPWHK-RXVVDRJESA-N 0 1 397.544 3.315 20 0 GGADMN O=C(CN1CCCN(c2ccccc2)CC1)NCCc1cccc2cccnc21 ZINC000261373479 1433895484 /nfs/dbraw/zinc/89/54/84/1433895484.db2.gz KIPSFURCEANNMF-UHFFFAOYSA-N 0 1 388.515 3.106 20 0 GGADMN CCc1noc2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cc12 ZINC000261377813 1433895564 /nfs/dbraw/zinc/89/55/64/1433895564.db2.gz CDXGYBUSVBIZHO-UHFFFAOYSA-N 0 1 379.464 3.098 20 0 GGADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NC[C@@H]1COc2ccccc2O1 ZINC000261443983 1433896181 /nfs/dbraw/zinc/89/61/81/1433896181.db2.gz JMPHMGMDFMIAGB-QGZVFWFLSA-N 0 1 386.879 3.265 20 0 GGADMN CCS(=O)(=O)c1cccc(NC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1 ZINC000261457706 1433896446 /nfs/dbraw/zinc/89/64/46/1433896446.db2.gz QUCATKXNNCWAJR-IBGZPJMESA-N 0 1 395.569 3.358 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000261609375 1433897292 /nfs/dbraw/zinc/89/72/92/1433897292.db2.gz BQENRQWUSIOERG-FQEVSTJZSA-N 0 1 382.504 3.372 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1 ZINC000261624926 1433897540 /nfs/dbraw/zinc/89/75/40/1433897540.db2.gz APULXWOKDJFQAF-AWRGLXIESA-N 0 1 376.500 3.462 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000261627275 1433897631 /nfs/dbraw/zinc/89/76/31/1433897631.db2.gz BNQGUXUCFJCTOC-GFCCVEGCSA-N 0 1 384.270 3.297 20 0 GGADMN NC1(c2noc(-c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)CCCC1 ZINC000261623939 1433897651 /nfs/dbraw/zinc/89/76/51/1433897651.db2.gz BXVFYOFSEHWJHR-UHFFFAOYSA-N 0 1 380.448 3.393 20 0 GGADMN C[C@@](N)(C(=O)NCc1nc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000261627799 1433897827 /nfs/dbraw/zinc/89/78/27/1433897827.db2.gz BKYRVMUEIPGOPX-KRWDZBQOSA-N 0 1 394.338 3.275 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000261665016 1433898453 /nfs/dbraw/zinc/89/84/53/1433898453.db2.gz FWFBPYTWRATPPB-SJLPKXTDSA-N 0 1 391.943 3.098 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)C1 ZINC000261665019 1433898566 /nfs/dbraw/zinc/89/85/66/1433898566.db2.gz FWFBPYTWRATPPB-WMZOPIPTSA-N 0 1 391.943 3.098 20 0 GGADMN C[C@](N)(C(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000261672591 1433898636 /nfs/dbraw/zinc/89/86/36/1433898636.db2.gz GCXDOLASIMOEFU-PKOBYXMFSA-N 0 1 388.309 3.336 20 0 GGADMN Cc1cc(-n2cncn2)ccc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261675899 1433898894 /nfs/dbraw/zinc/89/88/94/1433898894.db2.gz GOUROXKUPIDGQM-LJQANCHMSA-N 0 1 381.867 3.016 20 0 GGADMN Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000261674776 1433898922 /nfs/dbraw/zinc/89/89/22/1433898922.db2.gz GKFNVEBBXIGVKX-MAUKXSAKSA-N 0 1 387.505 3.252 20 0 GGADMN NC1(c2noc([C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)n2)CCCC1 ZINC000261685622 1433899093 /nfs/dbraw/zinc/89/90/93/1433899093.db2.gz HCTGBGZXIILDDW-KUHUBIRLSA-N 0 1 388.468 3.200 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000261690884 1433899238 /nfs/dbraw/zinc/89/92/38/1433899238.db2.gz HONGTJAUKGQNQK-VQIMIIECSA-N 0 1 388.309 3.018 20 0 GGADMN Cc1ccc(-n2cc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)nn2)cc1 ZINC000261709735 1433899658 /nfs/dbraw/zinc/89/96/58/1433899658.db2.gz IPMQMOXZNUGKSD-LJQANCHMSA-N 0 1 381.867 3.016 20 0 GGADMN NC1(c2noc(-c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)CCCC1 ZINC000261712277 1433899717 /nfs/dbraw/zinc/89/97/17/1433899717.db2.gz IZBMTNDLTMIFLO-UHFFFAOYSA-N 0 1 388.427 3.261 20 0 GGADMN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261716667 1433899780 /nfs/dbraw/zinc/89/97/80/1433899780.db2.gz CEDMDPZLIMLTBJ-MRXNPFEDSA-N 0 1 387.892 3.171 20 0 GGADMN NC1(c2noc([C@H]3Cc4ccccc4CN3C(=O)c3ccco3)n2)CCCC1 ZINC000261724926 1433900122 /nfs/dbraw/zinc/90/01/22/1433900122.db2.gz JUGMKJUNHMSKBO-MRXNPFEDSA-N 0 1 378.432 3.330 20 0 GGADMN NC1(c2noc(-c3nccnc3C(=O)Nc3ccc(Cl)cc3)n2)CCCC1 ZINC000261746932 1433901247 /nfs/dbraw/zinc/90/12/47/1433901247.db2.gz LKBYJXHAOPNBIM-UHFFFAOYSA-N 0 1 384.827 3.160 20 0 GGADMN COc1cc(NC(=O)c2ccccc2)c(-c2nc(C3(N)CCC3)no2)cc1OC ZINC000261751442 1433901581 /nfs/dbraw/zinc/90/15/81/1433901581.db2.gz CETYTMQXVPNTHB-UHFFFAOYSA-N 0 1 394.431 3.344 20 0 GGADMN Cc1nc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)nn1-c1ccc(F)cc1 ZINC000261750582 1433901780 /nfs/dbraw/zinc/90/17/80/1433901780.db2.gz DUOZXFTXSVJFDC-SFHVURJKSA-N 0 1 399.857 3.155 20 0 GGADMN C[C@@](N)(C(=O)NCc1cccc2c1CCCN2)c1ccc(Br)cc1 ZINC000261772831 1433902930 /nfs/dbraw/zinc/90/29/30/1433902930.db2.gz KLVDEFINDBDSCD-IBGZPJMESA-N 0 1 388.309 3.298 20 0 GGADMN C[C@](N)(C(=O)NCc1cccc2c1CCCN2)c1ccc(Br)cc1 ZINC000261772834 1433903042 /nfs/dbraw/zinc/90/30/42/1433903042.db2.gz KLVDEFINDBDSCD-LJQANCHMSA-N 0 1 388.309 3.298 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)cc2)n[nH]1 ZINC000261774507 1433903071 /nfs/dbraw/zinc/90/30/71/1433903071.db2.gz FVRZWCPHMDWGMM-GOSISDBHSA-N 0 1 381.867 3.220 20 0 GGADMN COc1ccc2c(c1)C[C@@H](C(=O)N1CCNC[C@H]1c1cccc(Cl)c1)CO2 ZINC000261779886 1433903222 /nfs/dbraw/zinc/90/32/22/1433903222.db2.gz GBLNFOORVWXFDE-APWZRJJASA-N 0 1 386.879 3.073 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)C1 ZINC000261788923 1433904220 /nfs/dbraw/zinc/90/42/20/1433904220.db2.gz GLEGKUJGBFBBKY-IEZWGBDMSA-N 0 1 391.943 3.098 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000261809490 1433905052 /nfs/dbraw/zinc/90/50/52/1433905052.db2.gz OPPQFFUWQINQTM-SFHVURJKSA-N 0 1 375.831 3.224 20 0 GGADMN CC(=O)N[C@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)c1ccc(C)cc1 ZINC000261840269 1433906338 /nfs/dbraw/zinc/90/63/38/1433906338.db2.gz IRRPRIUMCBOTNS-NHCUHLMSSA-N 0 1 399.922 3.389 20 0 GGADMN C[C@](N)(C(=O)NC1CCC2(CCOCC2)CC1)c1ccc(Br)cc1 ZINC000261848526 1433906782 /nfs/dbraw/zinc/90/67/82/1433906782.db2.gz VOOUQZPKGNCFQL-GOSISDBHSA-N 0 1 395.341 3.479 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)C[C@@H](C)NC(=O)C2CCCCC2)cc1 ZINC000261858679 1433907816 /nfs/dbraw/zinc/90/78/16/1433907816.db2.gz WFCZRWKPHUOKDL-DYESRHJHSA-N 0 1 385.552 3.197 20 0 GGADMN CCOc1ccccc1CCNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261871661 1433908129 /nfs/dbraw/zinc/90/81/29/1433908129.db2.gz XXJGMNPUXVHTCW-IBGZPJMESA-N 0 1 391.309 3.381 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261867149 1433908486 /nfs/dbraw/zinc/90/84/86/1433908486.db2.gz SQLQVGWULTXKIR-LJQANCHMSA-N 0 1 385.895 3.267 20 0 GGADMN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261878717 1433909077 /nfs/dbraw/zinc/90/90/77/1433909077.db2.gz UKCJMKQIAOWJAI-SJLPKXTDSA-N 0 1 387.842 3.078 20 0 GGADMN Cc1cc(-c2nc(C3(N)CCCC3)no2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000261893035 1433910151 /nfs/dbraw/zinc/91/01/51/1433910151.db2.gz XSDPEFNSESFSEI-UHFFFAOYSA-N 0 1 398.507 3.473 20 0 GGADMN O=C(c1ccc(N2CCCC2=O)cc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261903102 1433911175 /nfs/dbraw/zinc/91/11/75/1433911175.db2.gz WSBRWENNBUQBSH-LJQANCHMSA-N 0 1 383.879 3.254 20 0 GGADMN CCCc1noc(CCCC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)n1 ZINC000261901880 1433911516 /nfs/dbraw/zinc/91/15/16/1433911516.db2.gz WQUGZXWXBVENHB-INIZCTEOSA-N 0 1 376.888 3.171 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccccc1Br)c1nc(C2(N)CCC2)no1 ZINC000261905314 1433911762 /nfs/dbraw/zinc/91/17/62/1433911762.db2.gz YZOQVXVAHUBQFP-CYBMUJFWSA-N 0 1 393.285 3.297 20 0 GGADMN Cc1nn(C)c2nc(C)c(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)cc12 ZINC000261915822 1433912481 /nfs/dbraw/zinc/91/24/81/1433912481.db2.gz YBYXBVOOWGZAGL-SFHVURJKSA-N 0 1 383.883 3.025 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000261924542 1433913807 /nfs/dbraw/zinc/91/38/07/1433913807.db2.gz IYERPRJXFYPAMJ-IFXJQAMLSA-N 0 1 395.528 3.468 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000261945731 1433915355 /nfs/dbraw/zinc/91/53/55/1433915355.db2.gz LBKWNABTHLRIQO-VQTJNVASSA-N 0 1 385.552 3.007 20 0 GGADMN CC(=O)N[C@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)c1cccs1 ZINC000261959121 1433916207 /nfs/dbraw/zinc/91/62/07/1433916207.db2.gz KSOOKFOTRULCRO-IAGOWNOFSA-N 0 1 391.924 3.142 20 0 GGADMN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261967637 1433917743 /nfs/dbraw/zinc/91/77/43/1433917743.db2.gz LIOKLMGVVSJOEY-INIZCTEOSA-N 0 1 382.842 3.264 20 0 GGADMN O=C(CCCNC(=O)c1ccccc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261979436 1433919305 /nfs/dbraw/zinc/91/93/05/1433919305.db2.gz MBEXQDHSFJEQEH-LJQANCHMSA-N 0 1 385.895 3.023 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000262010560 1433921634 /nfs/dbraw/zinc/92/16/34/1433921634.db2.gz QTQQGAQJBAZCOC-GOSISDBHSA-N 0 1 384.524 3.425 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[C@H]2COCCN2)c2ccc(F)cc2Cl)cc1 ZINC000262015568 1433922359 /nfs/dbraw/zinc/92/23/59/1433922359.db2.gz CILLFZCYOPIDIK-JXFKEZNVSA-N 0 1 376.859 3.372 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)cc1 ZINC000262035500 1433923623 /nfs/dbraw/zinc/92/36/23/1433923623.db2.gz SUGLPVOXLYOXJO-HTAPYJJXSA-N 0 1 380.488 3.392 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262036372 1433923728 /nfs/dbraw/zinc/92/37/28/1433923728.db2.gz PTSWVFLUYSBQQB-OAHLLOKOSA-N 0 1 399.800 3.463 20 0 GGADMN CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000262050205 1433924594 /nfs/dbraw/zinc/92/45/94/1433924594.db2.gz AHLPIYFDQQHYEZ-GBXCKJPGSA-N 0 1 392.499 3.421 20 0 GGADMN Cc1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)ccc1-n1cncn1 ZINC000262048178 1433924656 /nfs/dbraw/zinc/92/46/56/1433924656.db2.gz QTMIZFCXZNXRAE-LJQANCHMSA-N 0 1 381.867 3.016 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000262062605 1433925291 /nfs/dbraw/zinc/92/52/91/1433925291.db2.gz BYWMSCZBQAQPBH-DYZYQPBXSA-N 0 1 388.798 3.067 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)CC2)cc1 ZINC000262062465 1433925298 /nfs/dbraw/zinc/92/52/98/1433925298.db2.gz BWCHMUOTSAJRIO-XUZZJYLKSA-N 0 1 398.547 3.353 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262072603 1433925807 /nfs/dbraw/zinc/92/58/07/1433925807.db2.gz DDDCWSKLHLQVRH-PNLZDCPESA-N 0 1 396.491 3.003 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000262108143 1433927210 /nfs/dbraw/zinc/92/72/10/1433927210.db2.gz ZTUOFUSKHAWMJQ-KRWDZBQOSA-N 0 1 396.516 3.466 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262109508 1433927396 /nfs/dbraw/zinc/92/73/96/1433927396.db2.gz IKNBWJGJHCKAPX-QEEYODRMSA-N 0 1 391.537 3.384 20 0 GGADMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262119082 1433927551 /nfs/dbraw/zinc/92/75/51/1433927551.db2.gz WDJHVZKTYRZHDD-FQEVSTJZSA-N 0 1 397.906 3.404 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cc3c([nH]c2=O)CCCCC3)cc1 ZINC000262143946 1433928480 /nfs/dbraw/zinc/92/84/80/1433928480.db2.gz FHOACKYVSWGURW-NRFANRHFSA-N 0 1 379.504 3.405 20 0 GGADMN COC[C@H](N)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000262171391 1433929510 /nfs/dbraw/zinc/92/95/10/1433929510.db2.gz ATYZBTYOXDFTGL-AWEZNQCLSA-N 0 1 392.381 3.016 20 0 GGADMN O=C(C[C@H]1COCCN1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000262186192 1433929974 /nfs/dbraw/zinc/92/99/74/1433929974.db2.gz LNWNVMXJRKTHOS-ZDUSSCGKSA-N 0 1 385.411 3.070 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C2 ZINC000262189035 1433929987 /nfs/dbraw/zinc/92/99/87/1433929987.db2.gz QWDZGNXOOXDAFT-UCNVEGJOSA-N 0 1 388.483 3.360 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1)NC1CC1 ZINC000262187416 1433930064 /nfs/dbraw/zinc/93/00/64/1433930064.db2.gz ZLLXWECBYOAKAY-IBGZPJMESA-N 0 1 398.894 3.411 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000262187523 1433930069 /nfs/dbraw/zinc/93/00/69/1433930069.db2.gz LPIZTCLOFUMMGZ-CYBMUJFWSA-N 0 1 385.411 3.070 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000262212265 1433930936 /nfs/dbraw/zinc/93/09/36/1433930936.db2.gz UICZJADKQCWJKR-ZNJVGYFFSA-N 0 1 384.520 3.318 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cccc(C(=O)N(C)CC)c2)cc1 ZINC000262237064 1433931898 /nfs/dbraw/zinc/93/18/98/1433931898.db2.gz OSYGIGQURGPHAF-NRFANRHFSA-N 0 1 379.504 3.128 20 0 GGADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262237828 1433932281 /nfs/dbraw/zinc/93/22/81/1433932281.db2.gz XNIXNWQHKYSTPU-VWQFJMCTSA-N 0 1 392.499 3.467 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CSCC(=O)c2ccccc2)cc1 ZINC000262277423 1433933434 /nfs/dbraw/zinc/93/34/34/1433933434.db2.gz UCGYXDWGGZNZCR-FQEVSTJZSA-N 0 1 382.529 3.338 20 0 GGADMN Cc1c2ccc(F)cc2sc1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262289205 1433933637 /nfs/dbraw/zinc/93/36/37/1433933637.db2.gz NFMVHJDPWGHWSK-UHFFFAOYSA-N 0 1 390.480 3.406 20 0 GGADMN O=S(=O)(NC[C@@H]1NCCc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000262324096 1433934987 /nfs/dbraw/zinc/93/49/87/1433934987.db2.gz QUMLNSYGWJEMHM-HNNXBMFYSA-N 0 1 388.386 3.010 20 0 GGADMN O=S(=O)(NC[C@H]1NCCc2ccccc21)c1ccc(F)cc1C(F)(F)F ZINC000262324099 1433935046 /nfs/dbraw/zinc/93/50/46/1433935046.db2.gz QUMLNSYGWJEMHM-OAHLLOKOSA-N 0 1 388.386 3.010 20 0 GGADMN CN[C@@H](C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1)c1cnn(C)c1 ZINC000262330451 1433935405 /nfs/dbraw/zinc/93/54/05/1433935405.db2.gz GRGLDMUQRTYUSY-GOSISDBHSA-N 0 1 395.334 3.469 20 0 GGADMN COC[C@@H](N)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000262370874 1433937036 /nfs/dbraw/zinc/93/70/36/1433937036.db2.gz WSVJYBHAWPUPQO-NOZJJQNGSA-N 0 1 398.326 3.032 20 0 GGADMN COC[C@@H](N)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000262370879 1433937048 /nfs/dbraw/zinc/93/70/48/1433937048.db2.gz WSVJYBHAWPUPQO-TVQRCGJNSA-N 0 1 398.326 3.032 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000262413447 1433938167 /nfs/dbraw/zinc/93/81/67/1433938167.db2.gz BOMRGAQRLYJSDL-KRWDZBQOSA-N 0 1 377.872 3.366 20 0 GGADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262462163 1433939905 /nfs/dbraw/zinc/93/99/05/1433939905.db2.gz KLFCPCBACOXQEG-KRWDZBQOSA-N 0 1 395.503 3.481 20 0 GGADMN O=C(C[C@H]1COCCN1)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000262489803 1433940966 /nfs/dbraw/zinc/94/09/66/1433940966.db2.gz HNCIPAPAZJCHPF-DJJJIMSYSA-N 0 1 380.822 3.202 20 0 GGADMN O=C(C[C@@H]1COCCN1)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000262489808 1433941106 /nfs/dbraw/zinc/94/11/06/1433941106.db2.gz HNCIPAPAZJCHPF-YJYMSZOUSA-N 0 1 380.822 3.202 20 0 GGADMN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)C[C@@H]2COCCN2)c1 ZINC000262495518 1433941329 /nfs/dbraw/zinc/94/13/29/1433941329.db2.gz IBKJTNXVTOMHCV-IFMALSPDSA-N 0 1 382.504 3.091 20 0 GGADMN O=C(C[C@@H]1COCCN1)NC1(c2cccc(Br)c2)CCCCC1 ZINC000262577886 1433944609 /nfs/dbraw/zinc/94/46/09/1433944609.db2.gz TZNSWXLMUKNECT-MRXNPFEDSA-N 0 1 381.314 3.103 20 0 GGADMN CN(C(=O)C[C@@H]1COCCN1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000262610440 1433946236 /nfs/dbraw/zinc/94/62/36/1433946236.db2.gz YOSBOOCVRDKJAE-QUCCMNQESA-N 0 1 376.859 3.405 20 0 GGADMN CCC[C@@](C)([NH3+])C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000262616964 1433946525 /nfs/dbraw/zinc/94/65/25/1433946525.db2.gz GUCHBHCKYZYADS-GOSISDBHSA-N 0 1 397.447 3.222 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000262644232 1433947397 /nfs/dbraw/zinc/94/73/97/1433947397.db2.gz JPQIMHIVVZMNHC-IBGZPJMESA-N 0 1 385.895 3.023 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@H](N)c2ccc(C)cc2)cc1 ZINC000262637186 1433947424 /nfs/dbraw/zinc/94/74/24/1433947424.db2.gz IGNLLQLXXYWRQZ-GOSISDBHSA-N 0 1 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C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000268869050 1434566204 /nfs/dbraw/zinc/56/62/04/1434566204.db2.gz UBIRROHPEFQOCQ-AYNSBQOLSA-N 0 1 394.562 3.086 20 0 GGADMN COc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1N1CCCCC1=O ZINC000268871009 1434566392 /nfs/dbraw/zinc/56/63/92/1434566392.db2.gz GFUXQBABZCBAJY-OAHLLOKOSA-N 0 1 383.452 3.134 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268877236 1434567055 /nfs/dbraw/zinc/56/70/55/1434567055.db2.gz VVYGYLZJWXBYLH-KRWDZBQOSA-N 0 1 388.899 3.488 20 0 GGADMN O=C(NCC1(c2ccccc2Cl)CCOCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268881953 1434567462 /nfs/dbraw/zinc/56/74/62/1434567462.db2.gz ADIFAJRVNJWFPQ-KRWDZBQOSA-N 0 1 388.899 3.488 20 0 GGADMN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268881456 1434567570 /nfs/dbraw/zinc/56/75/70/1434567570.db2.gz HYDUIACEGVIDCJ-QGZVFWFLSA-N 0 1 388.493 3.325 20 0 GGADMN CCOc1ccc(C2(CNC(=O)N[C@H]3CCCc4cn[nH]c43)CCOCC2)cc1 ZINC000268882246 1434567618 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GGADMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268919510 1434571319 /nfs/dbraw/zinc/57/13/19/1434571319.db2.gz RPONOGMCLXPGKP-YVEFUNNKSA-N 0 1 382.468 3.131 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268922647 1434571484 /nfs/dbraw/zinc/57/14/84/1434571484.db2.gz UCSHXIVVPDLBDT-LJQANCHMSA-N 0 1 378.480 3.148 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268922273 1434571539 /nfs/dbraw/zinc/57/15/39/1434571539.db2.gz CXTYASDOCFEJSX-DLBZAZTESA-N 0 1 384.480 3.039 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccco1 ZINC000268926657 1434571768 /nfs/dbraw/zinc/57/17/68/1434571768.db2.gz LHQJOQHSOOMIRP-JTQLQIEISA-N 0 1 391.419 3.441 20 0 GGADMN COCCOc1ccc([C@H](C)NCC(=O)N(C)C2CCCCC2)cc1OC ZINC000268930790 1434572199 /nfs/dbraw/zinc/57/21/99/1434572199.db2.gz MEBYELYVIYBMBC-INIZCTEOSA-N 0 1 378.513 3.162 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268931304 1434572360 /nfs/dbraw/zinc/57/23/60/1434572360.db2.gz FITHUHKJTPKKLH-NSHDSACASA-N 0 1 386.761 3.214 20 0 GGADMN O=C(NCc1nccn1CCCc1ccccc1)N[C@H]1CCCc2cn[nH]c21 ZINC000268931541 1434572456 /nfs/dbraw/zinc/57/24/56/1434572456.db2.gz ZNAZZMAUJMHDFA-SFHVURJKSA-N 0 1 378.480 3.116 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000268936080 1434572684 /nfs/dbraw/zinc/57/26/84/1434572684.db2.gz UNTYIGAGLZLRLV-STQMWFEESA-N 0 1 390.480 3.160 20 0 GGADMN O=C(Nc1cccc(C2SCCS2)c1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268939340 1434573261 /nfs/dbraw/zinc/57/32/61/1434573261.db2.gz GORYLLLCHWUVMP-AWEZNQCLSA-N 0 1 388.518 3.021 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000268941474 1434573600 /nfs/dbraw/zinc/57/36/00/1434573600.db2.gz FHHARGMFMSKGTG-QZTJIDSGSA-N 0 1 380.448 3.326 20 0 GGADMN O=C(Cn1c2ccccc2nc1SC(F)F)N[C@H]1CCCc2cn[nH]c21 ZINC000268949791 1434574354 /nfs/dbraw/zinc/57/43/54/1434574354.db2.gz HZODYVBNWBRQIT-LBPRGKRZSA-N 0 1 377.420 3.268 20 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/nfs/dbraw/zinc/57/61/12/1434576112.db2.gz CNRLSZSLUHVVIG-UHFFFAOYSA-N 0 1 378.432 3.215 20 0 GGADMN COc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1OCc1cscn1 ZINC000268977629 1434577711 /nfs/dbraw/zinc/57/77/11/1434577711.db2.gz MQTBYXMEFRJMEX-OAHLLOKOSA-N 0 1 384.461 3.261 20 0 GGADMN COc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1OCc1cscn1 ZINC000268977625 1434577817 /nfs/dbraw/zinc/57/78/17/1434577817.db2.gz MQTBYXMEFRJMEX-HNNXBMFYSA-N 0 1 384.461 3.261 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000268979006 1434578048 /nfs/dbraw/zinc/57/80/48/1434578048.db2.gz MZBXECNMBPYXGV-AWEZNQCLSA-N 0 1 375.354 3.422 20 0 GGADMN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268993617 1434579345 /nfs/dbraw/zinc/57/93/45/1434579345.db2.gz PIBMLKACSMKONI-DNVCBOLYSA-N 0 1 395.507 3.229 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000268996946 1434579593 /nfs/dbraw/zinc/57/95/93/1434579593.db2.gz PYRKTBNNTQXHPK-MJGOQNOKSA-N 0 1 380.492 3.073 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000268996941 1434579626 /nfs/dbraw/zinc/57/96/26/1434579626.db2.gz PYRKTBNNTQXHPK-HKUYNNGSSA-N 0 1 380.492 3.073 20 0 GGADMN COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCc4cn[nH]c43)cs2)cc1OC ZINC000268996905 1434579709 /nfs/dbraw/zinc/57/97/09/1434579709.db2.gz PXXMIDURDRUHSY-OAHLLOKOSA-N 0 1 398.488 3.287 20 0 GGADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000268997542 1434580056 /nfs/dbraw/zinc/58/00/56/1434580056.db2.gz RKUKJSXOBRTVEU-CZUORRHYSA-N 0 1 398.525 3.116 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@@H]3CSC)n2)cc(OC)c1OC ZINC000268999951 1434580075 /nfs/dbraw/zinc/58/00/75/1434580075.db2.gz ZELZOYKBNMXXJI-CYBMUJFWSA-N 0 1 379.482 3.090 20 0 GGADMN CCn1c(SCC(=O)N[C@H]2CCCc3cn[nH]c32)nnc1-c1cccs1 ZINC000268999654 1434580085 /nfs/dbraw/zinc/58/00/85/1434580085.db2.gz QKWSSZLPAIORRT-LBPRGKRZSA-N 0 1 388.522 3.036 20 0 GGADMN CC(C)c1nc2ccc(NC(=O)C(=O)N[C@@H]3CCCc4cn[nH]c43)cc2s1 ZINC000269006203 1434580931 /nfs/dbraw/zinc/58/09/31/1434580931.db2.gz RSVVBDWNZJBTDJ-CQSZACIVSA-N 0 1 383.477 3.275 20 0 GGADMN COc1cc(-c2noc(CN(C)[C@H](C)CCSC)n2)cc(OC)c1OC ZINC000269010769 1434581006 /nfs/dbraw/zinc/58/10/06/1434581006.db2.gz UYUOENVFYFDMKX-GFCCVEGCSA-N 0 1 381.498 3.336 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1OCCC(C)C ZINC000269010729 1434581183 /nfs/dbraw/zinc/58/11/83/1434581183.db2.gz SLTCMZKZOOSDHK-QGZVFWFLSA-N 0 1 384.480 3.275 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H]1CCOC1 ZINC000269012820 1434581384 /nfs/dbraw/zinc/58/13/84/1434581384.db2.gz NJXPVDKLGWCHMJ-GOEBONIOSA-N 0 1 378.469 3.141 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000269021034 1434582721 /nfs/dbraw/zinc/58/27/21/1434582721.db2.gz IDYORTJUMAGPGD-AWEZNQCLSA-N 0 1 395.294 3.021 20 0 GGADMN CN(C[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1)C(=O)OC(C)(C)C ZINC000269025511 1434582979 /nfs/dbraw/zinc/58/29/79/1434582979.db2.gz KAEWLAFQLXBKLD-GDBMZVCRSA-N 0 1 391.516 3.076 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269028587 1434583538 /nfs/dbraw/zinc/58/35/38/1434583538.db2.gz LLHOFWYTAKEPOD-GOSISDBHSA-N 0 1 382.512 3.130 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269028589 1434583610 /nfs/dbraw/zinc/58/36/10/1434583610.db2.gz LLHOFWYTAKEPOD-SFHVURJKSA-N 0 1 382.512 3.130 20 0 GGADMN COC(=O)CC1(NCc2csc(-c3cccc(OC)c3)n2)CCOCC1 ZINC000269037366 1434584711 /nfs/dbraw/zinc/58/47/11/1434584711.db2.gz FHRKRSNSINQBLP-UHFFFAOYSA-N 0 1 376.478 3.021 20 0 GGADMN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269040529 1434585134 /nfs/dbraw/zinc/58/51/34/1434585134.db2.gz YGXICEPRDREIFV-GFCCVEGCSA-N 0 1 386.761 3.214 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000269056544 1434586397 /nfs/dbraw/zinc/58/63/97/1434586397.db2.gz XNEANDMCOIPNPE-XJKSGUPXSA-N 0 1 391.516 3.122 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)c2C1 ZINC000269183614 1434603349 /nfs/dbraw/zinc/60/33/49/1434603349.db2.gz YFLKYVHNFFASOD-SJLPKXTDSA-N 0 1 399.535 3.203 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000269201374 1434606373 /nfs/dbraw/zinc/60/63/73/1434606373.db2.gz GJLSSTJHPNPPOK-HTWSVDAQSA-N 0 1 394.441 3.039 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000269212092 1434608100 /nfs/dbraw/zinc/60/81/00/1434608100.db2.gz KYNFJLUPLOUJQO-UHFFFAOYSA-N 0 1 387.505 3.006 20 0 GGADMN Cc1cc([C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c(C)s1 ZINC000269222792 1434609280 /nfs/dbraw/zinc/60/92/80/1434609280.db2.gz JZKVAGPWQZIUBA-YWZLYKJASA-N 0 1 382.533 3.357 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccccc1 ZINC000269230995 1434610557 /nfs/dbraw/zinc/61/05/57/1434610557.db2.gz QVVXJBZMTHHQNJ-GCJKJVERSA-N 0 1 376.504 3.063 20 0 GGADMN NC(=O)c1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)cc1 ZINC000269253597 1434613734 /nfs/dbraw/zinc/61/37/34/1434613734.db2.gz CDSJHSCHOCYQML-UHFFFAOYSA-N 0 1 380.492 3.212 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000269267085 1434615363 /nfs/dbraw/zinc/61/53/63/1434615363.db2.gz LZEHOKNRQNEXFX-FQEVSTJZSA-N 0 1 386.540 3.227 20 0 GGADMN O=C(NCCSc1nc(C2CC2)n[nH]1)c1cccnc1Oc1ccccc1 ZINC000269271283 1434616136 /nfs/dbraw/zinc/61/61/36/1434616136.db2.gz DOSSNHFKXFZHOH-UHFFFAOYSA-N 0 1 381.461 3.392 20 0 GGADMN O=C(NCCSc1n[nH]c(C2CC2)n1)c1cccnc1Oc1ccccc1 ZINC000269271283 1434616137 /nfs/dbraw/zinc/61/61/37/1434616137.db2.gz DOSSNHFKXFZHOH-UHFFFAOYSA-N 0 1 381.461 3.392 20 0 GGADMN c1cc(N2CCOCC2)ncc1CN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000269285203 1434618129 /nfs/dbraw/zinc/61/81/29/1434618129.db2.gz MBGJFJBWPBFJGJ-OAQYLSRUSA-N 0 1 379.504 3.410 20 0 GGADMN CN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1nc2ccccc2o1 ZINC000269341463 1434627732 /nfs/dbraw/zinc/62/77/32/1434627732.db2.gz WAKIEWRVRDVEQW-UHFFFAOYSA-N 0 1 392.459 3.181 20 0 GGADMN C[C@H](CCSc1ccccc1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000269350469 1434629574 /nfs/dbraw/zinc/62/95/74/1434629574.db2.gz ZLJHZLFEQSNRDT-RTBURBONSA-N 0 1 375.582 3.186 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000269372653 1434633298 /nfs/dbraw/zinc/63/32/98/1434633298.db2.gz WYPVPHMARDZZIF-IBGZPJMESA-N 0 1 387.524 3.014 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 ZINC000269430649 1434644612 /nfs/dbraw/zinc/64/46/12/1434644612.db2.gz PKSYTZQUOAEVEN-OAHLLOKOSA-N 0 1 375.446 3.248 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCCc3cn[nH]c32)n(-c2ccccc2)n1 ZINC000269433676 1434644978 /nfs/dbraw/zinc/64/49/78/1434644978.db2.gz NUMSAZTVLRTVCD-LIRRHRJNSA-N 0 1 378.480 3.212 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CCCc3cn[nH]c32)n(-c2ccccc2)n1 ZINC000269433672 1434645007 /nfs/dbraw/zinc/64/50/07/1434645007.db2.gz NUMSAZTVLRTVCD-KUHUBIRLSA-N 0 1 378.480 3.212 20 0 GGADMN CCC[C@@H](C)[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000269442505 1434646722 /nfs/dbraw/zinc/64/67/22/1434646722.db2.gz DRYYEKXUQNQEKL-LLVKDONJSA-N 0 1 381.498 3.129 20 0 GGADMN CCC[C@@H](C)N(C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1 ZINC000269442505 1434646725 /nfs/dbraw/zinc/64/67/25/1434646725.db2.gz DRYYEKXUQNQEKL-LLVKDONJSA-N 0 1 381.498 3.129 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000269460017 1434649585 /nfs/dbraw/zinc/64/95/85/1434649585.db2.gz XVCMUOFBDTWTTL-UHFFFAOYSA-N 0 1 396.944 3.024 20 0 GGADMN Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)c2)n1C ZINC000269470524 1434650448 /nfs/dbraw/zinc/65/04/48/1434650448.db2.gz YLBAKZCTLJMIJN-HXUWFJFHSA-N 0 1 375.476 3.394 20 0 GGADMN Cc1c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)nnn1-c1ccc(OC(C)C)cc1 ZINC000269494097 1434653694 /nfs/dbraw/zinc/65/36/94/1434653694.db2.gz DDEBZRAEUHJGDP-UHFFFAOYSA-N 0 1 394.357 3.357 20 0 GGADMN CCc1nc(COc2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2)no1 ZINC000269561330 1434659542 /nfs/dbraw/zinc/65/95/42/1434659542.db2.gz YNQARVQTIGOMIZ-UHFFFAOYSA-N 0 1 381.314 3.205 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000269572302 1434660164 /nfs/dbraw/zinc/66/01/64/1434660164.db2.gz HDMQYAOEQXBKHP-DLVCFXQMSA-N 0 1 398.507 3.412 20 0 GGADMN COc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(OC)c1OC ZINC000269588713 1434661488 /nfs/dbraw/zinc/66/14/88/1434661488.db2.gz AZOIQOKZNVRXQE-HNNXBMFYSA-N 0 1 399.491 3.063 20 0 GGADMN COc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(Cl)n1 ZINC000269606468 1434662906 /nfs/dbraw/zinc/66/29/06/1434662906.db2.gz MQDSHKRCHWGIOL-ZDUSSCGKSA-N 0 1 389.887 3.486 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000269605853 1434663026 /nfs/dbraw/zinc/66/30/26/1434663026.db2.gz CFJMWVZPJOUJMN-GHTZIAJQSA-N 0 1 395.503 3.297 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000269605859 1434663034 /nfs/dbraw/zinc/66/30/34/1434663034.db2.gz CFJMWVZPJOUJMN-NQIIRXRSSA-N 0 1 395.503 3.297 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCOc2ccccc2F)CC1 ZINC000269607101 1434663246 /nfs/dbraw/zinc/66/32/46/1434663246.db2.gz KPOXKSZQPKYFAJ-MRXNPFEDSA-N 0 1 386.471 3.124 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000269611502 1434663541 /nfs/dbraw/zinc/66/35/41/1434663541.db2.gz BDZAFFJPDWYJGA-MGPUTAFESA-N 0 1 395.507 3.084 20 0 GGADMN Cc1nn(CC(F)(F)F)cc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000269625728 1434664652 /nfs/dbraw/zinc/66/46/52/1434664652.db2.gz SNVIUZLWEHFFFY-CQSZACIVSA-N 0 1 395.429 3.104 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(NC(=O)N(C)C)c2)CC1 ZINC000269631156 1434665266 /nfs/dbraw/zinc/66/52/66/1434665266.db2.gz VZBRVRLUMYYHCW-MRXNPFEDSA-N 0 1 395.507 3.131 20 0 GGADMN CCCC[C@@H](CC)COCc1cccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)c1 ZINC000269640823 1434666066 /nfs/dbraw/zinc/66/60/66/1434666066.db2.gz RGJHMTGEKGTVJI-APWZRJJASA-N 0 1 398.569 3.120 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CCCC[C@H](SC)C1 ZINC000269655152 1434667225 /nfs/dbraw/zinc/66/72/25/1434667225.db2.gz NFDWRSZVNPGPEU-BBRMVZONSA-N 0 1 379.526 3.198 20 0 GGADMN CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC000269666845 1434668133 /nfs/dbraw/zinc/66/81/33/1434668133.db2.gz WCMWFRGQAIHIGY-INIZCTEOSA-N 0 1 381.425 3.121 20 0 GGADMN Cc1c(S(=O)(=O)Nc2c(C)cc(N(C)C)cc2C)cnn1-c1ccccn1 ZINC000269673091 1434668354 /nfs/dbraw/zinc/66/83/54/1434668354.db2.gz BWPLLRRVANUJFN-UHFFFAOYSA-N 0 1 385.493 3.059 20 0 GGADMN COC(=O)CCCCCCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000269703301 1434670543 /nfs/dbraw/zinc/67/05/43/1434670543.db2.gz PWWCJBPJIXKTOG-QGZVFWFLSA-N 0 1 390.528 3.030 20 0 GGADMN CCS(=O)(=O)NC1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000269746339 1434673600 /nfs/dbraw/zinc/67/36/00/1434673600.db2.gz NVSNMNOLFLIDGM-UHFFFAOYSA-N 0 1 387.427 3.162 20 0 GGADMN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCC(Cn2ccnn2)CC1 ZINC000269838925 1434680452 /nfs/dbraw/zinc/68/04/52/1434680452.db2.gz HOBLFQDSDWSRRA-JOCHJYFZSA-N 0 1 389.503 3.048 20 0 GGADMN COC(=O)c1cccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000269891681 1434684740 /nfs/dbraw/zinc/68/47/40/1434684740.db2.gz LQMFGHBBHJIXQV-AWEZNQCLSA-N 0 1 378.432 3.073 20 0 GGADMN Cn1c(=O)oc2c1cccc2NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000269910808 1434686166 /nfs/dbraw/zinc/68/61/66/1434686166.db2.gz OWGOWRYOFJVHLV-MRXNPFEDSA-N 0 1 384.436 3.073 20 0 GGADMN COc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc(OC)c1O ZINC000269941981 1434688728 /nfs/dbraw/zinc/68/87/28/1434688728.db2.gz NSTHYFADODWUCD-UHFFFAOYSA-N 0 1 388.489 3.211 20 0 GGADMN OC[C@H](C[C@@H](O)c1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000269948727 1434688994 /nfs/dbraw/zinc/68/89/94/1434688994.db2.gz QWMLXKAQHUCOSJ-FUHWJXTLSA-N 0 1 398.484 3.113 20 0 GGADMN CC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270075489 1434699862 /nfs/dbraw/zinc/69/98/62/1434699862.db2.gz DMLRLJAMFHDGNF-GCJKJVERSA-N 0 1 388.475 3.190 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccco1 ZINC000270097838 1434702716 /nfs/dbraw/zinc/70/27/16/1434702716.db2.gz BJFZIZJWDOLYLB-ZAPUSCAOSA-N 0 1 391.537 3.460 20 0 GGADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000270101413 1434703156 /nfs/dbraw/zinc/70/31/56/1434703156.db2.gz BPHFEDHILALTTD-UHFFFAOYSA-N 0 1 389.503 3.483 20 0 GGADMN Cc1csc2nc(CN3CCC[C@@H]3Cn3c(C)nc4ccccc43)cc(=O)n12 ZINC000270129132 1434706079 /nfs/dbraw/zinc/70/60/79/1434706079.db2.gz GVMUEUNSZXQQJE-QGZVFWFLSA-N 0 1 393.516 3.387 20 0 GGADMN Cc1ncc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)[nH]1 ZINC000270153005 1434707815 /nfs/dbraw/zinc/70/78/15/1434707815.db2.gz XIHNYZNHXFKWSI-UHFFFAOYSA-N 0 1 375.835 3.440 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000270179213 1434709891 /nfs/dbraw/zinc/70/98/91/1434709891.db2.gz BKNFNBFGTYZDNV-INIZCTEOSA-N 0 1 394.475 3.157 20 0 GGADMN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000270213930 1434713870 /nfs/dbraw/zinc/71/38/70/1434713870.db2.gz LRQUKEPBBWGAFU-AWEZNQCLSA-N 0 1 392.569 3.356 20 0 GGADMN C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000270220206 1434714377 /nfs/dbraw/zinc/71/43/77/1434714377.db2.gz MVJKIZYKAYZMST-CXAGYDPISA-N 0 1 395.550 3.096 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@H](c3ccsc3)N(C)C)c2)no1 ZINC000270233045 1434715058 /nfs/dbraw/zinc/71/50/58/1434715058.db2.gz IRZOOWHTPHDUDD-QGZVFWFLSA-N 0 1 386.477 3.051 20 0 GGADMN COC(=O)Cc1csc(N(C)C(=O)c2[nH]c(-c3cccc(C)c3)nc2C)n1 ZINC000270251191 1434716638 /nfs/dbraw/zinc/71/66/38/1434716638.db2.gz UMDIIGLHAZMWPB-UHFFFAOYSA-N 0 1 384.461 3.142 20 0 GGADMN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(C)Cc1nnc[nH]1)OCC3 ZINC000270289987 1434720142 /nfs/dbraw/zinc/72/01/42/1434720142.db2.gz AKECIRKNASVHCO-NRFANRHFSA-N 0 1 381.480 3.075 20 0 GGADMN O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCN(CC2CC2)CC1 ZINC000270352343 1434725626 /nfs/dbraw/zinc/72/56/26/1434725626.db2.gz PYKVWRQTQUAXNG-UHFFFAOYSA-N 0 1 377.492 3.161 20 0 GGADMN CCOC(=O)CCCCCN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000270350975 1434725639 /nfs/dbraw/zinc/72/56/39/1434725639.db2.gz PUIXOSLEMFDOQD-UHFFFAOYSA-N 0 1 395.931 3.020 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270387035 1434728922 /nfs/dbraw/zinc/72/89/22/1434728922.db2.gz LRIUCSBHCIVGFO-HOTGVXAUSA-N 0 1 392.406 3.172 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000270391521 1434729322 /nfs/dbraw/zinc/72/93/22/1434729322.db2.gz YCFLKDIBNVLGCV-JSJVNUNZSA-N 0 1 391.512 3.226 20 0 GGADMN Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000270405919 1434730877 /nfs/dbraw/zinc/73/08/77/1434730877.db2.gz XVXULDRSJXRECX-UHFFFAOYSA-N 0 1 391.475 3.104 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000270447481 1434733888 /nfs/dbraw/zinc/73/38/88/1434733888.db2.gz TWRPYBFILHGOBV-HNNXBMFYSA-N 0 1 385.468 3.243 20 0 GGADMN Cc1nc2ccnn2c(C)c1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000270459187 1434735170 /nfs/dbraw/zinc/73/51/70/1434735170.db2.gz FFSOXQULLOTFDI-INIZCTEOSA-N 0 1 376.420 3.326 20 0 GGADMN CCC(CC)(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC)c1ccc(Cl)cc1 ZINC000270467081 1434736126 /nfs/dbraw/zinc/73/61/26/1434736126.db2.gz LHXHVLVYLHJOEE-INIZCTEOSA-N 0 1 377.872 3.021 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000270500756 1434739372 /nfs/dbraw/zinc/73/93/72/1434739372.db2.gz XHQNMDBTNMKFHT-UHFFFAOYSA-N 0 1 391.518 3.262 20 0 GGADMN O=C(NCc1nc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cs1)c1ccccc1 ZINC000270517900 1434740736 /nfs/dbraw/zinc/74/07/36/1434740736.db2.gz QYKRVWFBDRIILO-QXAKKESOSA-N 0 1 383.517 3.120 20 0 GGADMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000270517099 1434740759 /nfs/dbraw/zinc/74/07/59/1434740759.db2.gz ZWLGYTSGQPTJLH-UZLBHIALSA-N 0 1 387.505 3.121 20 0 GGADMN O=C(NCc1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1)c1ccccc1 ZINC000270517897 1434740774 /nfs/dbraw/zinc/74/07/74/1434740774.db2.gz QYKRVWFBDRIILO-QRQLOZEOSA-N 0 1 383.517 3.120 20 0 GGADMN COc1ccccc1[C@H](NC(=O)N1CCN(C2CCC2)CC1)c1ccccn1 ZINC000270532170 1434742105 /nfs/dbraw/zinc/74/21/05/1434742105.db2.gz OWRWJRYAXOWKCX-NRFANRHFSA-N 0 1 380.492 3.059 20 0 GGADMN Cn1cccc1CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270548169 1434743794 /nfs/dbraw/zinc/74/37/94/1434743794.db2.gz AQKYBQSYZAJULM-KBXCAEBGSA-N 0 1 378.879 3.310 20 0 GGADMN Cn1cccc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270548174 1434743881 /nfs/dbraw/zinc/74/38/81/1434743881.db2.gz AQKYBQSYZAJULM-KSSFIOAISA-N 0 1 378.879 3.310 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccc([C@@H]4CCOC4)c3)n2)c(OC)c1 ZINC000270566727 1434745623 /nfs/dbraw/zinc/74/56/23/1434745623.db2.gz MEVBDGSYELPRKT-OAHLLOKOSA-N 0 1 394.431 3.245 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n[nH]1 ZINC000270578787 1434746428 /nfs/dbraw/zinc/74/64/28/1434746428.db2.gz AAWSPDBRKPKIRN-RBSFLKMASA-N 0 1 386.500 3.424 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)n[nH]1 ZINC000270576169 1434746434 /nfs/dbraw/zinc/74/64/34/1434746434.db2.gz AATSEKAEVWGLOO-OLZOCXBDSA-N 0 1 383.456 3.023 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n[nH]1 ZINC000270578781 1434746536 /nfs/dbraw/zinc/74/65/36/1434746536.db2.gz AAWSPDBRKPKIRN-KFWWJZLASA-N 0 1 386.500 3.424 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)n[nH]1 ZINC000270578785 1434746693 /nfs/dbraw/zinc/74/66/93/1434746693.db2.gz AAWSPDBRKPKIRN-QLFBSQMISA-N 0 1 386.500 3.424 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270581917 1434746923 /nfs/dbraw/zinc/74/69/23/1434746923.db2.gz ANKLAHRLLZXAOJ-YLJYHZDGSA-N 0 1 388.556 3.462 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)n[nH]1 ZINC000270584910 1434747189 /nfs/dbraw/zinc/74/71/89/1434747189.db2.gz ARDTWNAEGIDZQZ-LLVKDONJSA-N 0 1 377.876 3.496 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)C2)c1 ZINC000270588990 1434747566 /nfs/dbraw/zinc/74/75/66/1434747566.db2.gz BHLDBELGMBINFM-DLBZAZTESA-N 0 1 397.523 3.275 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)C2)c1 ZINC000270588993 1434747646 /nfs/dbraw/zinc/74/76/46/1434747646.db2.gz BHLDBELGMBINFM-SJORKVTESA-N 0 1 397.523 3.275 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)C2)c1 ZINC000270588992 1434747773 /nfs/dbraw/zinc/74/77/73/1434747773.db2.gz BHLDBELGMBINFM-IRXDYDNUSA-N 0 1 397.523 3.275 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)COc2ccccc2OCc2ccccc2)n[nH]1 ZINC000270595143 1434748548 /nfs/dbraw/zinc/74/85/48/1434748548.db2.gz CBEKOVWEIGXIKA-OAHLLOKOSA-N 0 1 380.448 3.202 20 0 GGADMN Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000270600647 1434749052 /nfs/dbraw/zinc/74/90/52/1434749052.db2.gz DAAPHNAXNYHVFU-ZDUSSCGKSA-N 0 1 399.524 3.051 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)n[nH]1 ZINC000270601505 1434749156 /nfs/dbraw/zinc/74/91/56/1434749156.db2.gz CQXOMYMSKWJBCM-HNNXBMFYSA-N 0 1 398.511 3.430 20 0 GGADMN Cc1c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)nnn1-c1ccc(OC(C)C)cc1 ZINC000270601850 1434749262 /nfs/dbraw/zinc/74/92/62/1434749262.db2.gz DBQKUOGBBCLHEQ-ZDUSSCGKSA-N 0 1 397.483 3.095 20 0 GGADMN COc1ccc2oc(CNCc3ccc(OCC(=O)N(C)C)c(OC)c3)cc2c1 ZINC000270602546 1434749320 /nfs/dbraw/zinc/74/93/20/1434749320.db2.gz GBAVZPMGJSIQBH-UHFFFAOYSA-N 0 1 398.459 3.207 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000270606253 1434749500 /nfs/dbraw/zinc/74/95/00/1434749500.db2.gz BTSDFJISCYNLGJ-NSISKUIASA-N 0 1 388.556 3.500 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000270606239 1434749523 /nfs/dbraw/zinc/74/95/23/1434749523.db2.gz BTSDFJISCYNLGJ-AHRSYUTCSA-N 0 1 388.556 3.500 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n[nH]1 ZINC000270606890 1434749679 /nfs/dbraw/zinc/74/96/79/1434749679.db2.gz DIAJCTKDLPTASF-HNNXBMFYSA-N 0 1 398.511 3.366 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)n[nH]1 ZINC000270612539 1434750413 /nfs/dbraw/zinc/75/04/13/1434750413.db2.gz DXXOMAHALKCNET-LLVKDONJSA-N 0 1 394.932 3.456 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270611591 1434750519 /nfs/dbraw/zinc/75/05/19/1434750519.db2.gz IIMFDVPIZNKRON-ZXYWRSMDSA-N 0 1 390.890 3.116 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1 ZINC000270615589 1434750832 /nfs/dbraw/zinc/75/08/32/1434750832.db2.gz FJIQQZGJYIIJBT-SJKOYZFVSA-N 0 1 385.468 3.211 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n[nH]1 ZINC000270615143 1434750878 /nfs/dbraw/zinc/75/08/78/1434750878.db2.gz GYLUQKHMZVHVBW-RYUDHWBXSA-N 0 1 375.448 3.416 20 0 GGADMN CCOc1cc(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)cc(OCC)c1OCC ZINC000270615582 1434751204 /nfs/dbraw/zinc/75/12/04/1434751204.db2.gz FXMDVMCKJFNTSQ-LBPRGKRZSA-N 0 1 376.457 3.054 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)n[nH]1 ZINC000270621580 1434751877 /nfs/dbraw/zinc/75/18/77/1434751877.db2.gz FXVUEMQHYSVXNX-AWEZNQCLSA-N 0 1 384.484 3.437 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cccc(OC)c2OC2CCCC2)n[nH]1 ZINC000270622576 1434752213 /nfs/dbraw/zinc/75/22/13/1434752213.db2.gz HYHKEVNXNCVUOT-CYBMUJFWSA-N 0 1 387.484 3.258 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n[nH]1 ZINC000270624284 1434752272 /nfs/dbraw/zinc/75/22/72/1434752272.db2.gz GFIJAPCYIGFZJA-CYBMUJFWSA-N 0 1 384.484 3.227 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC000270624952 1434752628 /nfs/dbraw/zinc/75/26/28/1434752628.db2.gz DEUYYTPCUGPQRZ-FRRDWIJNSA-N 0 1 390.463 3.003 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n[nH]1 ZINC000270624949 1434752813 /nfs/dbraw/zinc/75/28/13/1434752813.db2.gz DEUYYTPCUGPQRZ-AVGNSLFASA-N 0 1 390.463 3.003 20 0 GGADMN COc1cc(F)c([C@@H](C)NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000270630745 1434753418 /nfs/dbraw/zinc/75/34/18/1434753418.db2.gz JDDUQYNGHIAKBU-GHMZBOCLSA-N 0 1 379.436 3.206 20 0 GGADMN COC[C@@H]1CCN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000270633642 1434754002 /nfs/dbraw/zinc/75/40/02/1434754002.db2.gz JNURDEHPEHLIIF-QIIPPGSGSA-N 0 1 383.895 3.150 20 0 GGADMN CCc1nc([C@H](C)NCc2ccc(OCc3c(C)noc3C)c(OC)c2)n[nH]1 ZINC000270637689 1434754268 /nfs/dbraw/zinc/75/42/68/1434754268.db2.gz HHLSXRWNWXXUPP-ZDUSSCGKSA-N 0 1 385.468 3.410 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000270638989 1434754731 /nfs/dbraw/zinc/75/47/31/1434754731.db2.gz HVSQWOWSNPIVEZ-UWVGGRQHSA-N 0 1 377.399 3.233 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)n2)c1 ZINC000270638639 1434754808 /nfs/dbraw/zinc/75/48/08/1434754808.db2.gz KHAHMYHRFMJUHB-VXGBXAGGSA-N 0 1 399.455 3.108 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)c2)cs1 ZINC000270640254 1434754892 /nfs/dbraw/zinc/75/48/92/1434754892.db2.gz KMNUAXLFHFUCJP-LLVKDONJSA-N 0 1 398.492 3.176 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000270643016 1434755031 /nfs/dbraw/zinc/75/50/31/1434755031.db2.gz KFASZUMHRZSORM-OAHLLOKOSA-N 0 1 388.459 3.085 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)n[nH]1 ZINC000270642908 1434755145 /nfs/dbraw/zinc/75/51/45/1434755145.db2.gz KVEMWXGHODLXFK-VXGBXAGGSA-N 0 1 375.477 3.480 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2n[nH]c(CC)n2)cc1Cl ZINC000270661213 1434757942 /nfs/dbraw/zinc/75/79/42/1434757942.db2.gz KECJXBRMDGNEKD-JTQLQIEISA-N 0 1 378.864 3.043 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)n[nH]1 ZINC000270662080 1434757986 /nfs/dbraw/zinc/75/79/86/1434757986.db2.gz NSEDKYVXVKCYSD-CYBMUJFWSA-N 0 1 389.525 3.133 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)n(-c2ccccc2)n1 ZINC000270659632 1434758157 /nfs/dbraw/zinc/75/81/57/1434758157.db2.gz NJMXRJCARJBEPY-GOEBONIOSA-N 0 1 395.511 3.414 20 0 GGADMN COc1ccccc1[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccn1 ZINC000270668262 1434759307 /nfs/dbraw/zinc/75/93/07/1434759307.db2.gz WWQUUDLCQYNEKE-XLIONFOSSA-N 0 1 377.448 3.280 20 0 GGADMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cnc3cnccn23)c1 ZINC000270671119 1434759683 /nfs/dbraw/zinc/75/96/83/1434759683.db2.gz QMXQAHLRYIPCAF-HNNXBMFYSA-N 0 1 396.470 3.293 20 0 GGADMN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270677139 1434760332 /nfs/dbraw/zinc/76/03/32/1434760332.db2.gz PQEFEGIPPALKLD-AWEZNQCLSA-N 0 1 392.463 3.114 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)n[nH]1 ZINC000270683689 1434761371 /nfs/dbraw/zinc/76/13/71/1434761371.db2.gz QIVORHXCVFASRS-SNVBAGLBSA-N 0 1 395.916 3.337 20 0 GGADMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc(CO)o2)c1 ZINC000270686622 1434761830 /nfs/dbraw/zinc/76/18/30/1434761830.db2.gz UQRZYBARVSKJBA-AWEZNQCLSA-N 0 1 375.444 3.336 20 0 GGADMN Cc1c(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1C(F)(F)F ZINC000270698624 1434763700 /nfs/dbraw/zinc/76/37/00/1434763700.db2.gz SKLPMWJZJORNFQ-JTQLQIEISA-N 0 1 383.374 3.071 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)n[nH]1 ZINC000270704446 1434763964 /nfs/dbraw/zinc/76/39/64/1434763964.db2.gz TYINXPIYBROBFV-ZDUSSCGKSA-N 0 1 385.468 3.065 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000270710754 1434765275 /nfs/dbraw/zinc/76/52/75/1434765275.db2.gz XTMQUDAVZVTRKZ-UHFFFAOYSA-N 0 1 380.492 3.172 20 0 GGADMN COc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270726451 1434766932 /nfs/dbraw/zinc/76/69/32/1434766932.db2.gz XMRAFYKUSXHBNH-JTQLQIEISA-N 0 1 383.399 3.099 20 0 GGADMN CC(C)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270736458 1434768432 /nfs/dbraw/zinc/76/84/32/1434768432.db2.gz ZHQIDDUTWUDTSV-LBPRGKRZSA-N 0 1 375.498 3.245 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)n[nH]1 ZINC000270757114 1434771133 /nfs/dbraw/zinc/77/11/33/1434771133.db2.gz PPYIVTZNMIPYMI-WDEREUQCSA-N 0 1 385.390 3.430 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cnn(C)c2C2CC2)CC1 ZINC000270759172 1434771477 /nfs/dbraw/zinc/77/14/77/1434771477.db2.gz XBEQXTJQDHACGM-OAHLLOKOSA-N 0 1 399.514 3.070 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2cccc(CSc3nccn3C)c2)n[nH]1 ZINC000270765341 1434772128 /nfs/dbraw/zinc/77/21/28/1434772128.db2.gz PTJJENOWUIXRNC-ZDUSSCGKSA-N 0 1 384.509 3.445 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)n[nH]1 ZINC000270766992 1434772465 /nfs/dbraw/zinc/77/24/65/1434772465.db2.gz RFQHJPZIWFGJLU-MRVPVSSYSA-N 0 1 384.362 3.227 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)n[nH]1 ZINC000270770835 1434772773 /nfs/dbraw/zinc/77/27/73/1434772773.db2.gz RVBLIRJPABZWSP-LBPRGKRZSA-N 0 1 397.439 3.165 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)N(C)C)c1 ZINC000270770025 1434772844 /nfs/dbraw/zinc/77/28/44/1434772844.db2.gz DFVUGYVPGQXYJM-WDSOQIARSA-N 0 1 377.529 3.191 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)n[nH]1 ZINC000270772258 1434773457 /nfs/dbraw/zinc/77/34/57/1434773457.db2.gz QXXHDZCNHBJQPS-ZDUSSCGKSA-N 0 1 389.463 3.115 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)n[nH]1 ZINC000270776296 1434773832 /nfs/dbraw/zinc/77/38/32/1434773832.db2.gz SORKEILSUXQLQP-MZHQLVBMSA-N 0 1 377.514 3.297 20 0 GGADMN COC(=O)CSCc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270774050 1434773854 /nfs/dbraw/zinc/77/38/54/1434773854.db2.gz SISODOWAOHYUNR-LBPRGKRZSA-N 0 1 391.497 3.217 20 0 GGADMN COc1ccccc1OC[C@@H](C)CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270782607 1434774495 /nfs/dbraw/zinc/77/44/95/1434774495.db2.gz HUAKRSHPWULHEX-UONOGXRCSA-N 0 1 375.473 3.012 20 0 GGADMN COc1ccc(C[C@H](C)CNC(=O)c2sccc2CN(C)C)cc1OC ZINC000270795172 1434775795 /nfs/dbraw/zinc/77/57/95/1434775795.db2.gz VQOOWQVFIGCACD-AWEZNQCLSA-N 0 1 376.522 3.436 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n[nH]1 ZINC000270801945 1434776309 /nfs/dbraw/zinc/77/63/09/1434776309.db2.gz WONCFIICQIPCEC-UKRRQHHQSA-N 0 1 387.484 3.200 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n[nH]1 ZINC000270801941 1434776316 /nfs/dbraw/zinc/77/63/16/1434776316.db2.gz WONCFIICQIPCEC-DZGCQCFKSA-N 0 1 387.484 3.200 20 0 GGADMN O=C(Nc1cccc(-n2cccn2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270803023 1434776831 /nfs/dbraw/zinc/77/68/31/1434776831.db2.gz AWXCAKKXSLIKKL-HNNXBMFYSA-N 0 1 377.452 3.279 20 0 GGADMN Cc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1C(=O)N1CCCC1 ZINC000270809938 1434777344 /nfs/dbraw/zinc/77/73/44/1434777344.db2.gz XTIAZFMEAXYEAB-AWEZNQCLSA-N 0 1 384.484 3.355 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270820282 1434778124 /nfs/dbraw/zinc/77/81/24/1434778124.db2.gz YSVJHUQKWRBFCJ-UONOGXRCSA-N 0 1 386.500 3.017 20 0 GGADMN Cn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C2CCCCC2)n1 ZINC000270844908 1434780797 /nfs/dbraw/zinc/78/07/97/1434780797.db2.gz IREQPRAKCFXCET-MRXNPFEDSA-N 0 1 382.512 3.483 20 0 GGADMN O=C(Nc1ccc2c(c1)NC(=O)CS2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 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CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)ccc1OCOC ZINC000271162459 1434805713 /nfs/dbraw/zinc/80/57/13/1434805713.db2.gz LTBYMAVRXUUDCH-UHFFFAOYSA-N 0 1 386.492 3.402 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000271166588 1434805767 /nfs/dbraw/zinc/80/57/67/1434805767.db2.gz SHPPZJWZHUCEDG-INIZCTEOSA-N 0 1 398.290 3.330 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)n[nH]1 ZINC000271165369 1434805847 /nfs/dbraw/zinc/80/58/47/1434805847.db2.gz SCVGKCZTQOREAG-LLVKDONJSA-N 0 1 392.385 3.371 20 0 GGADMN CCN(CC)C(=O)c1ccc(CNCc2cc(OC)ccc2OCOC)cc1 ZINC000271168592 1434805967 /nfs/dbraw/zinc/80/59/67/1434805967.db2.gz BPMVKRLYUDNJKZ-UHFFFAOYSA-N 0 1 386.492 3.450 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H](C)CN2CCOCC2)C1 ZINC000271172780 1434806067 /nfs/dbraw/zinc/80/60/67/1434806067.db2.gz XPLDQQBFAOINGE-MOPGFXCFSA-N 0 1 398.551 3.292 20 0 GGADMN COc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(OC)c1OC ZINC000271179179 1434806542 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20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N[C@@H](C)c2cccs2)cc(OC)c1OC ZINC000271634011 1434840544 /nfs/dbraw/zinc/84/05/44/1434840544.db2.gz BROLHQYPXPPJHF-OLZOCXBDSA-N 0 1 378.494 3.302 20 0 GGADMN COc1cc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc(OC)c1 ZINC000271636852 1434840905 /nfs/dbraw/zinc/84/09/05/1434840905.db2.gz ACGDXXQNLXFEQU-OAHLLOKOSA-N 0 1 397.475 3.120 20 0 GGADMN C[C@H](NCC(=O)N1CCSc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000271638539 1434840924 /nfs/dbraw/zinc/84/09/24/1434840924.db2.gz AMKHEPVPWCYGTM-HNNXBMFYSA-N 0 1 397.500 3.433 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NC(=O)Nc1ccccc1 ZINC000271643030 1434841332 /nfs/dbraw/zinc/84/13/32/1434841332.db2.gz BGYCZQGRUHTHFM-GJZGRUSLSA-N 0 1 396.447 3.031 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N(C)Cc2ccccc2F)cc(OC)c1OC ZINC000271646388 1434841554 /nfs/dbraw/zinc/84/15/54/1434841554.db2.gz DKQGLHUOZCCNLP-CQSZACIVSA-N 0 1 390.455 3.161 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1OC(F)F ZINC000271645150 1434841564 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3.026 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000271679927 1434843828 /nfs/dbraw/zinc/84/38/28/1434843828.db2.gz OWHJNILBFLWXOM-KRWDZBQOSA-N 0 1 383.492 3.026 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000271684139 1434843954 /nfs/dbraw/zinc/84/39/54/1434843954.db2.gz OWKAZXVLKUTDDQ-SFHVURJKSA-N 0 1 383.448 3.096 20 0 GGADMN COc1cccc([C@H](C)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000271684403 1434843975 /nfs/dbraw/zinc/84/39/75/1434843975.db2.gz PPAABSNFQXCTGF-KRWDZBQOSA-N 0 1 395.503 3.223 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CNC2(c3cccc(OC)c3)CC2)cc1 ZINC000271686551 1434844108 /nfs/dbraw/zinc/84/41/08/1434844108.db2.gz HSYSVDBWYQMXMJ-UHFFFAOYSA-N 0 1 395.503 3.395 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000271686067 1434844187 /nfs/dbraw/zinc/84/41/87/1434844187.db2.gz CZHZUTUOFDARSB-KDOFPFPSSA-N 0 1 397.475 3.484 20 0 GGADMN COc1cccc(C2(NCC(=O)Nc3ccccc3N3CCCC3=O)CC2)c1 ZINC000271694342 1434844705 /nfs/dbraw/zinc/84/47/05/1434844705.db2.gz JICASRCJDCNLGZ-UHFFFAOYSA-N 0 1 379.460 3.039 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(OC)cc2)c1 ZINC000271702848 1434845033 /nfs/dbraw/zinc/84/50/33/1434845033.db2.gz SYCBJMRFNGTUGZ-INIZCTEOSA-N 0 1 383.492 3.467 20 0 GGADMN O=C(CN[C@H](CCO)c1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000271702829 1434845051 /nfs/dbraw/zinc/84/50/51/1434845051.db2.gz SXPBQOSRIZWJNP-MRXNPFEDSA-N 0 1 390.867 3.153 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3cccc(C(C)=O)c3)ccc2NC1=O ZINC000271705880 1434845127 /nfs/dbraw/zinc/84/51/27/1434845127.db2.gz IPALTCCWWDRNKZ-DJJJIMSYSA-N 0 1 395.459 3.288 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000271704862 1434845218 /nfs/dbraw/zinc/84/52/18/1434845218.db2.gz TVBAIHSGFWCZBI-AWEZNQCLSA-N 0 1 388.464 3.400 20 0 GGADMN CSc1cccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000271708829 1434845522 /nfs/dbraw/zinc/84/55/22/1434845522.db2.gz VHUIJDFZYJRRBQ-AWEZNQCLSA-N 0 1 399.520 3.057 20 0 GGADMN COc1cccc(C2(NCC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)c1 ZINC000271719501 1434846149 /nfs/dbraw/zinc/84/61/49/1434846149.db2.gz PMRVTTBVFHIKRN-UHFFFAOYSA-N 0 1 397.866 3.147 20 0 GGADMN Cn1ncc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1-c1ccccc1 ZINC000271727614 1434846462 /nfs/dbraw/zinc/84/64/62/1434846462.db2.gz MKFIAFXZMAJNFN-INIZCTEOSA-N 0 1 376.464 3.102 20 0 GGADMN CCOc1c(Cl)cc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000271727450 1434846510 /nfs/dbraw/zinc/84/65/10/1434846510.db2.gz BOKYGIHVUCNNFH-GFCCVEGCSA-N 0 1 398.912 3.246 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(OC)cc3)ccc2NC1=O ZINC000271728971 1434846626 /nfs/dbraw/zinc/84/66/26/1434846626.db2.gz NBFPTLPZCKELEC-FZKQIMNGSA-N 0 1 383.448 3.094 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3cccc(OC)c3)ccc2NC1=O ZINC000271733576 1434846836 /nfs/dbraw/zinc/84/68/36/1434846836.db2.gz NVDWPFPCCXKLBG-UGSOOPFHSA-N 0 1 383.448 3.094 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)NCc2ccc(NC(=O)OC)cc2)c1 ZINC000271735275 1434847010 /nfs/dbraw/zinc/84/70/10/1434847010.db2.gz ZKOSROJPXSYLQJ-OAHLLOKOSA-N 0 1 385.464 3.231 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NOC3CCCC3)CC2)c1C ZINC000271737217 1434847082 /nfs/dbraw/zinc/84/70/82/1434847082.db2.gz OPCCPEFEIFRTTG-UHFFFAOYSA-N 0 1 390.528 3.187 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000271740062 1434847248 /nfs/dbraw/zinc/84/72/48/1434847248.db2.gz DYQWCPSGNLYTCO-RJIBLYRGSA-N 0 1 381.839 3.050 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000271740057 1434847284 /nfs/dbraw/zinc/84/72/84/1434847284.db2.gz DYQWCPSGNLYTCO-JBCWJZNQSA-N 0 1 381.839 3.050 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271746165 1434847542 /nfs/dbraw/zinc/84/75/42/1434847542.db2.gz QYXSVURNSBIALS-HUUCEWRRSA-N 0 1 389.521 3.169 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1OC ZINC000271747242 1434847722 /nfs/dbraw/zinc/84/77/22/1434847722.db2.gz JTEYJTIKRRXMJI-AWEZNQCLSA-N 0 1 388.464 3.319 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000271748160 1434847766 /nfs/dbraw/zinc/84/77/66/1434847766.db2.gz KAWSBCCVVILEHO-LBPRGKRZSA-N 0 1 389.477 3.173 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC(C)(OC)CC1)N1CCCCC1 ZINC000271747954 1434847781 /nfs/dbraw/zinc/84/77/81/1434847781.db2.gz XWOSKKJHWJPJEL-LJQANCHMSA-N 0 1 389.540 3.433 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCc2sccc2C)cc(OC)c1OC ZINC000271749239 1434847858 /nfs/dbraw/zinc/84/78/58/1434847858.db2.gz KGIPVMSASYMTMX-CYBMUJFWSA-N 0 1 378.494 3.049 20 0 GGADMN COc1cccc(C2(NCC(=O)Nc3ccnn3Cc3cccs3)CC2)c1 ZINC000271750727 1434847885 /nfs/dbraw/zinc/84/78/85/1434847885.db2.gz YNELWOMEWVZRSS-UHFFFAOYSA-N 0 1 382.489 3.219 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCc2sccc2C)cc(OC)c1OC ZINC000271749242 1434847916 /nfs/dbraw/zinc/84/79/16/1434847916.db2.gz KGIPVMSASYMTMX-ZDUSSCGKSA-N 0 1 378.494 3.049 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](CCCO)c2ccccc2)c1 ZINC000271754364 1434848027 /nfs/dbraw/zinc/84/80/27/1434848027.db2.gz GOQPVCPGRJQVDC-OAQYLSRUSA-N 0 1 397.519 3.211 20 0 GGADMN CN(Cc1nccn1C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271753017 1434848055 /nfs/dbraw/zinc/84/80/55/1434848055.db2.gz GFLVIMKPGNTSFF-KBXCAEBGSA-N 0 1 393.894 3.047 20 0 GGADMN C[C@@H](NCC(=O)N1CCCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271756614 1434848303 /nfs/dbraw/zinc/84/83/03/1434848303.db2.gz LTQKIRJNVIDCAS-MRXNPFEDSA-N 0 1 383.467 3.280 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1cccc(N2CCOC2=O)c1 ZINC000271761030 1434848567 /nfs/dbraw/zinc/84/85/67/1434848567.db2.gz CWWMHJBVIPHFOU-HNNXBMFYSA-N 0 1 379.460 3.421 20 0 GGADMN COc1cc(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1 ZINC000271764374 1434848843 /nfs/dbraw/zinc/84/88/43/1434848843.db2.gz MZOBLKQUBAMYFA-CQSZACIVSA-N 0 1 397.475 3.342 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@H](COC)c1ccccc1 ZINC000271768651 1434849122 /nfs/dbraw/zinc/84/91/22/1434849122.db2.gz FNTJVJDTOZLYRY-LJQANCHMSA-N 0 1 386.492 3.030 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000271768608 1434849164 /nfs/dbraw/zinc/84/91/64/1434849164.db2.gz CNOPAGFZMYIBTM-SJORKVTESA-N 0 1 379.504 3.350 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000271769786 1434849193 /nfs/dbraw/zinc/84/91/93/1434849193.db2.gz FDSOGQXUYKLSFU-LMGGTIKBSA-N 0 1 397.544 3.303 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000271771167 1434849356 /nfs/dbraw/zinc/84/93/56/1434849356.db2.gz FJFKLINMNRLWJV-CEIGYEGDSA-N 0 1 386.517 3.103 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](CCCO)c2ccccc2)cc1 ZINC000271775323 1434849648 /nfs/dbraw/zinc/84/96/48/1434849648.db2.gz KNYFANSLVICLSX-OAQYLSRUSA-N 0 1 397.519 3.211 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000271779749 1434849802 /nfs/dbraw/zinc/84/98/02/1434849802.db2.gz OXBGOQMRFYMYNL-AWEZNQCLSA-N 0 1 395.459 3.111 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271779486 1434849820 /nfs/dbraw/zinc/84/98/20/1434849820.db2.gz FUIWTPTYJUSLKU-GFCCVEGCSA-N 0 1 394.443 3.053 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271780652 1434850069 /nfs/dbraw/zinc/85/00/69/1434850069.db2.gz HPVWTGPXLMIQTH-HNNXBMFYSA-N 0 1 383.448 3.331 20 0 GGADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCO1 ZINC000271781589 1434850127 /nfs/dbraw/zinc/85/01/27/1434850127.db2.gz VQPJLILCUHWFGR-RDTXWAMCSA-N 0 1 378.469 3.284 20 0 GGADMN CC(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271785308 1434850430 /nfs/dbraw/zinc/85/04/30/1434850430.db2.gz ISNKLRNKRLJUSP-CQSZACIVSA-N 0 1 381.432 3.135 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(N2CCOC2=O)cc1 ZINC000271785241 1434850470 /nfs/dbraw/zinc/85/04/70/1434850470.db2.gz IPVCFWLKSNWSPF-OAHLLOKOSA-N 0 1 379.460 3.421 20 0 GGADMN COc1cc([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000271784454 1434850476 /nfs/dbraw/zinc/85/04/76/1434850476.db2.gz HNHARYIFNFWLLP-HUUCEWRRSA-N 0 1 393.505 3.225 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271793382 1434850940 /nfs/dbraw/zinc/85/09/40/1434850940.db2.gz JPXNYXAHAFUGNC-JZXAWVDUSA-N 0 1 376.497 3.433 20 0 GGADMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc([S@](C)=O)cc1 ZINC000271793386 1434851014 /nfs/dbraw/zinc/85/10/14/1434851014.db2.gz JPXNYXAHAFUGNC-USBFQFRLSA-N 0 1 376.497 3.433 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1Cl ZINC000271807137 1434851927 /nfs/dbraw/zinc/85/19/27/1434851927.db2.gz LNYVHLLCOSQUSN-UONOGXRCSA-N 0 1 385.895 3.387 20 0 GGADMN CCc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000271808488 1434852074 /nfs/dbraw/zinc/85/20/74/1434852074.db2.gz LPSASGQSBABEAU-INIZCTEOSA-N 0 1 379.504 3.077 20 0 GGADMN COc1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)c(C(F)(F)F)c1 ZINC000271812194 1434852227 /nfs/dbraw/zinc/85/22/27/1434852227.db2.gz YTNXZJHGZWMOGD-LLVKDONJSA-N 0 1 388.411 3.212 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000271816306 1434852396 /nfs/dbraw/zinc/85/23/96/1434852396.db2.gz PHWLYMXRQRPOMU-ZIAGYGMSSA-N 0 1 378.432 3.442 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccc(N2CCOC2=O)cc1 ZINC000271816300 1434852483 /nfs/dbraw/zinc/85/24/83/1434852483.db2.gz PHWLYMXRQRPOMU-KGLIPLIRSA-N 0 1 378.432 3.442 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc2c(c1)CC(=O)N2C ZINC000271822027 1434852775 /nfs/dbraw/zinc/85/27/75/1434852775.db2.gz NZLBAQBLADUMNK-GFCCVEGCSA-N 0 1 389.402 3.096 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000271822082 1434852802 /nfs/dbraw/zinc/85/28/02/1434852802.db2.gz VULCPLWCERUUHG-HNNXBMFYSA-N 0 1 399.491 3.003 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H](C)c1ccccc1OC(F)F ZINC000271824264 1434852827 /nfs/dbraw/zinc/85/28/27/1434852827.db2.gz WDBXDEJMSDAXHW-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271823067 1434852889 /nfs/dbraw/zinc/85/28/89/1434852889.db2.gz NGWDTZULFKXIDR-PGGUUEOZSA-N 0 1 391.537 3.040 20 0 GGADMN O=C(c1coc(-c2ccccc2Cl)n1)N1CCC(CN2CCOCC2)CC1 ZINC000271827530 1434853115 /nfs/dbraw/zinc/85/31/15/1434853115.db2.gz FAWUFJOUMDKRQN-UHFFFAOYSA-N 0 1 389.883 3.179 20 0 GGADMN COc1ccc(COC[C@H](O)CN[C@H](C)c2c(F)cccc2F)cc1OC ZINC000271832812 1434853420 /nfs/dbraw/zinc/85/34/20/1434853420.db2.gz XIOTVLHOYTYXFN-UKRRQHHQSA-N 0 1 381.419 3.210 20 0 GGADMN COc1ccc(COC[C@@H](O)CN[C@H](C)c2c(F)cccc2F)cc1OC ZINC000271832809 1434853490 /nfs/dbraw/zinc/85/34/90/1434853490.db2.gz XIOTVLHOYTYXFN-HIFRSBDPSA-N 0 1 381.419 3.210 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C)c1 ZINC000271840182 1434854013 /nfs/dbraw/zinc/85/40/13/1434854013.db2.gz SRQOSEZXDNYAPM-KUNJGFBQSA-N 0 1 387.505 3.040 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)c(C)c1 ZINC000271840201 1434854130 /nfs/dbraw/zinc/85/41/30/1434854130.db2.gz SRQOSEZXDNYAPM-RXAIFQJESA-N 0 1 387.505 3.040 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)c(C)c1 ZINC000271840209 1434854156 /nfs/dbraw/zinc/85/41/56/1434854156.db2.gz SRQOSEZXDNYAPM-YVORESIASA-N 0 1 387.505 3.040 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000271860335 1434855417 /nfs/dbraw/zinc/85/54/17/1434855417.db2.gz YJTKRHVHFVPGOE-MWSMCUOVSA-N 0 1 390.505 3.119 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(N2CCOC2=O)cc1 ZINC000271863095 1434855623 /nfs/dbraw/zinc/85/56/23/1434855623.db2.gz ZKQYSRFGQMSNNR-KGLIPLIRSA-N 0 1 397.431 3.050 20 0 GGADMN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC1(CO)CCOCC1 ZINC000271861005 1434855635 /nfs/dbraw/zinc/85/56/35/1434855635.db2.gz KKOIIFGMROSRCE-UHFFFAOYSA-N 0 1 377.916 3.339 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271870612 1434855924 /nfs/dbraw/zinc/85/59/24/1434855924.db2.gz WCYWHXMKNBIWED-CMJOXMDJSA-N 0 1 377.488 3.124 20 0 GGADMN CC(C)(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCO1 ZINC000271880173 1434856775 /nfs/dbraw/zinc/85/67/75/1434856775.db2.gz SMPXYXPIZOOCDD-SMDDNHRTSA-N 0 1 394.422 3.149 20 0 GGADMN CC(C)CC(=O)Nc1cccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271893852 1434857719 /nfs/dbraw/zinc/85/77/19/1434857719.db2.gz WNTXXDRZQGUMAC-OAHLLOKOSA-N 0 1 389.521 3.169 20 0 GGADMN C[C@@H](NC1(c2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000271956244 1434861602 /nfs/dbraw/zinc/86/16/02/1434861602.db2.gz FJZZNMRBSRNTNI-QGZVFWFLSA-N 0 1 386.517 3.047 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000271958166 1434861830 /nfs/dbraw/zinc/86/18/30/1434861830.db2.gz FTASTPAHHQTNAY-ICSRJNTNSA-N 0 1 388.556 3.462 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000272005961 1434865236 /nfs/dbraw/zinc/86/52/36/1434865236.db2.gz YAKUVHBXUVTXPK-OAHLLOKOSA-N 0 1 395.887 3.138 20 0 GGADMN Cc1csc2ncc(C(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)c(=O)n12 ZINC000272010401 1434865760 /nfs/dbraw/zinc/86/57/60/1434865760.db2.gz UEGDDJJUQYOPHB-MRXNPFEDSA-N 0 1 393.472 3.226 20 0 GGADMN CCC1(O)CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000272020838 1434866572 /nfs/dbraw/zinc/86/65/72/1434866572.db2.gz MXVDODJHGSWWPB-QGZVFWFLSA-N 0 1 384.442 3.433 20 0 GGADMN COc1cc([C@H](C)NC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1SC ZINC000272021774 1434866646 /nfs/dbraw/zinc/86/66/46/1434866646.db2.gz DAOGFJCJTUIUIX-MEDUHNTESA-N 0 1 389.443 3.251 20 0 GGADMN COc1cc([C@@H](C)NC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1SC ZINC000272021766 1434866754 /nfs/dbraw/zinc/86/67/54/1434866754.db2.gz DAOGFJCJTUIUIX-BDJLRTHQSA-N 0 1 389.443 3.251 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)CC2)n[nH]1 ZINC000272036253 1434867817 /nfs/dbraw/zinc/86/78/17/1434867817.db2.gz BTYYACYXQYJKLM-QHCPKHFHSA-N 0 1 394.519 3.367 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000272036726 1434867844 /nfs/dbraw/zinc/86/78/44/1434867844.db2.gz PRSCCQDMZBELCP-AWEZNQCLSA-N 0 1 393.505 3.357 20 0 GGADMN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@H](c1ccco1)N1CCCC1 ZINC000272037183 1434867870 /nfs/dbraw/zinc/86/78/70/1434867870.db2.gz FOYMZHGKNQTIQI-RBUKOAKNSA-N 0 1 392.459 3.061 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3nn(CC(C)C)c(=O)c4ccccc43)CC2)n[nH]1 ZINC000272040638 1434868066 /nfs/dbraw/zinc/86/80/66/1434868066.db2.gz CMASIEVTAINTFR-UHFFFAOYSA-N 0 1 393.491 3.104 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@@H]1CCCOc2cc3c(cc21)CCC3)C(F)(F)F ZINC000272063317 1434869587 /nfs/dbraw/zinc/86/95/87/1434869587.db2.gz IWISCEROFRRYDO-APWZRJJASA-N 0 1 395.425 3.162 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@H]1CCCOc2cc3c(cc21)CCC3)C(F)(F)F ZINC000272063321 1434869599 /nfs/dbraw/zinc/86/95/99/1434869599.db2.gz IWISCEROFRRYDO-LPHOPBHVSA-N 0 1 395.425 3.162 20 0 GGADMN Cc1csc2ncc(C(=O)Nc3cccc4c3CN(CC(C)C)C4)c(=O)n12 ZINC000272062738 1434869663 /nfs/dbraw/zinc/86/96/63/1434869663.db2.gz NSZHWQVBONAHJQ-UHFFFAOYSA-N 0 1 382.489 3.288 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cnn(C(C)C)c4)C3)[nH]c2c1 ZINC000272065334 1434869910 /nfs/dbraw/zinc/86/99/10/1434869910.db2.gz DKEVSVBTZAIYML-OAHLLOKOSA-N 0 1 387.509 3.217 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)nc1 ZINC000272067673 1434870019 /nfs/dbraw/zinc/87/00/19/1434870019.db2.gz BODHRXJQQFNGGZ-MRXNPFEDSA-N 0 1 397.479 3.054 20 0 GGADMN CC(C)(C)OC(=O)c1cccc(CNCc2cccnc2N2CCOCC2)c1 ZINC000272079212 1434870519 /nfs/dbraw/zinc/87/05/19/1434870519.db2.gz AJZTUHYMWRKFLL-UHFFFAOYSA-N 0 1 383.492 3.163 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)C=Cc3ccccc3)CC2)c1 ZINC000272076793 1434870648 /nfs/dbraw/zinc/87/06/48/1434870648.db2.gz IQJCTGAWZWOYCD-JXMROGBWSA-N 0 1 392.455 3.485 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000272091350 1434871620 /nfs/dbraw/zinc/87/16/20/1434871620.db2.gz SYERMBROANDKGH-KRWDZBQOSA-N 0 1 381.432 3.307 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H]3CCCN3c3ncnc4sccc43)CC2)n[nH]1 ZINC000272090588 1434871759 /nfs/dbraw/zinc/87/17/59/1434871759.db2.gz KZBBBQOIIUKZEK-KRWDZBQOSA-N 0 1 396.520 3.098 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000272097224 1434871862 /nfs/dbraw/zinc/87/18/62/1434871862.db2.gz YZDLBZNLGIBGNO-JOCHJYFZSA-N 0 1 398.459 3.154 20 0 GGADMN CCCCN1C(=O)c2ccc(C(=O)N3CCC(c4cc(C)[nH]n4)CC3)cc2C1=O ZINC000272103401 1434872252 /nfs/dbraw/zinc/87/22/52/1434872252.db2.gz NFSXVYROPGWTRU-UHFFFAOYSA-N 0 1 394.475 3.134 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)c1 ZINC000272107983 1434872612 /nfs/dbraw/zinc/87/26/12/1434872612.db2.gz NYRZCZOQJBYAQS-HNNXBMFYSA-N 0 1 382.445 3.207 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)n[nH]1 ZINC000272107013 1434872623 /nfs/dbraw/zinc/87/26/23/1434872623.db2.gz NXJFZPMZFLTPJC-UHFFFAOYSA-N 0 1 378.480 3.205 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000272138588 1434874360 /nfs/dbraw/zinc/87/43/60/1434874360.db2.gz SPVMJHRPXNBBAG-YGRLFVJLSA-N 0 1 397.319 3.419 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000272148151 1434874860 /nfs/dbraw/zinc/87/48/60/1434874860.db2.gz UJGQZAHXHHUBDW-BMIGLBTASA-N 0 1 379.329 3.122 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCCc3nnc(-c4ccccc4)o3)CC2)n[nH]1 ZINC000272150062 1434874991 /nfs/dbraw/zinc/87/49/91/1434874991.db2.gz VTVNRHZFZUBJPX-UHFFFAOYSA-N 0 1 379.464 3.497 20 0 GGADMN Cc1cc(C)c2c(c1)[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)CCCO2 ZINC000272183387 1434876647 /nfs/dbraw/zinc/87/66/47/1434876647.db2.gz YLWVXOSNJDZWDB-CRAIPNDOSA-N 0 1 383.414 3.290 20 0 GGADMN Cc1cc(C2CCN(C(=O)C=Cc3ccc(C(=O)NC4CC4)cc3)CC2)n[nH]1 ZINC000272201311 1434877698 /nfs/dbraw/zinc/87/76/98/1434877698.db2.gz HJZLUHHWMWKUEB-RUDMXATFSA-N 0 1 378.476 3.030 20 0 GGADMN CCn1cnc2c1ncnc2N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272207238 1434878007 /nfs/dbraw/zinc/87/80/07/1434878007.db2.gz IHQNMFRZAAAYSA-HNNXBMFYSA-N 0 1 380.500 3.396 20 0 GGADMN CCn1cnc2c1ncnc2N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272207238 1434878008 /nfs/dbraw/zinc/87/80/08/1434878008.db2.gz IHQNMFRZAAAYSA-HNNXBMFYSA-N 0 1 380.500 3.396 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000272206475 1434878050 /nfs/dbraw/zinc/87/80/50/1434878050.db2.gz DSRWTTJMDHNNJU-HOCLYGCPSA-N 0 1 384.480 3.452 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000272206474 1434878073 /nfs/dbraw/zinc/87/80/73/1434878073.db2.gz DSRWTTJMDHNNJU-GOEBONIOSA-N 0 1 384.480 3.452 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000272217323 1434878672 /nfs/dbraw/zinc/87/86/72/1434878672.db2.gz BHSTYEZPMOFGJD-HOCLYGCPSA-N 0 1 384.480 3.452 20 0 GGADMN CN(C)c1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccn1 ZINC000272225725 1434879461 /nfs/dbraw/zinc/87/94/61/1434879461.db2.gz LHAJARFFRADLJS-KRWDZBQOSA-N 0 1 382.512 3.333 20 0 GGADMN NC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272233708 1434880219 /nfs/dbraw/zinc/88/02/19/1434880219.db2.gz MOJQCMHDXVWDAT-INIZCTEOSA-N 0 1 396.495 3.363 20 0 GGADMN C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236260 1434880340 /nfs/dbraw/zinc/88/03/40/1434880340.db2.gz SDUUQNYGMJESSU-WXVUKLJWSA-N 0 1 394.515 3.446 20 0 GGADMN CC[C@H](C)[C@@H](O)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272236837 1434880549 /nfs/dbraw/zinc/88/05/49/1434880549.db2.gz AEVTUKFNMCWODL-GKCIPKSASA-N 0 1 379.497 3.315 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)[C@H]3c4ccccc4CCN3C2=O)CC1 ZINC000272239672 1434880744 /nfs/dbraw/zinc/88/07/44/1434880744.db2.gz VBRHLCUBLBIUKF-IIBYNOLFSA-N 0 1 390.487 3.169 20 0 GGADMN COc1ccc(NC(=O)N[C@H](C)c2nnc[nH]2)cc1NC(=O)OC(C)(C)C ZINC000272249134 1434881607 /nfs/dbraw/zinc/88/16/07/1434881607.db2.gz HYBICDNQUXVFMB-SNVBAGLBSA-N 0 1 376.417 3.043 20 0 GGADMN Cc1noc(CCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272273685 1434883273 /nfs/dbraw/zinc/88/32/73/1434883273.db2.gz SHOHRBVUVICBRF-MRXNPFEDSA-N 0 1 386.500 3.273 20 0 GGADMN COC(=O)c1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccn1 ZINC000272292799 1434884945 /nfs/dbraw/zinc/88/49/45/1434884945.db2.gz VPFJFNHPLOUOTC-INIZCTEOSA-N 0 1 397.479 3.054 20 0 GGADMN O=C(Nc1nnc2ccccn21)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272294408 1434885005 /nfs/dbraw/zinc/88/50/05/1434885005.db2.gz VSLCEOAYMMYNJQ-OAHLLOKOSA-N 0 1 394.483 3.307 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2sccc2CN(C)C)C1 ZINC000272297591 1434885201 /nfs/dbraw/zinc/88/52/01/1434885201.db2.gz PDUXTGJXPKACEY-UONOGXRCSA-N 0 1 381.542 3.185 20 0 GGADMN NC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000272295734 1434885225 /nfs/dbraw/zinc/88/52/25/1434885225.db2.gz VYHTWOLEFDFRTO-MRXNPFEDSA-N 0 1 396.495 3.363 20 0 GGADMN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272313879 1434886576 /nfs/dbraw/zinc/88/65/76/1434886576.db2.gz YYWSAAULXZTJBP-HNNXBMFYSA-N 0 1 394.479 3.042 20 0 GGADMN COC(=O)C1=C(C)O[C@H](CN2CCC(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000272313045 1434886594 /nfs/dbraw/zinc/88/65/94/1434886594.db2.gz PEJRPVSBNVLIPQ-HNNXBMFYSA-N 0 1 379.403 3.095 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324478 1434887342 /nfs/dbraw/zinc/88/73/42/1434887342.db2.gz UXXSBKMTYKOEAP-MAUKXSAKSA-N 0 1 396.535 3.429 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324478 1434887343 /nfs/dbraw/zinc/88/73/43/1434887343.db2.gz UXXSBKMTYKOEAP-MAUKXSAKSA-N 0 1 396.535 3.429 20 0 GGADMN CCCc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nn1-c1ccccc1Cl ZINC000272380101 1434892178 /nfs/dbraw/zinc/89/21/78/1434892178.db2.gz BQMOSHGFUBTSBI-YOEHRIQHSA-N 0 1 387.915 3.039 20 0 GGADMN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000272391322 1434893183 /nfs/dbraw/zinc/89/31/83/1434893183.db2.gz WUBQVUPPMLYOOV-GOSISDBHSA-N 0 1 399.457 3.056 20 0 GGADMN Cn1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000272407188 1434894335 /nfs/dbraw/zinc/89/43/35/1434894335.db2.gz YKQWEODKFSQBLP-UHFFFAOYSA-N 0 1 390.491 3.268 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000272425486 1434895454 /nfs/dbraw/zinc/89/54/54/1434895454.db2.gz HAQCLNCJDXSYPC-KVSKMBFKSA-N 0 1 387.524 3.241 20 0 GGADMN C[C@@]12CCCN1C(=O)N([C@H]1CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000272438747 1434896210 /nfs/dbraw/zinc/89/62/10/1434896210.db2.gz OAEATIUDSPGYNN-YJBOKZPZSA-N 0 1 381.398 3.096 20 0 GGADMN CSc1cccc(N2C[C@@H](C(=O)Nc3c(C)n[nH]c3C(F)F)CC2=O)c1 ZINC000272444228 1434896577 /nfs/dbraw/zinc/89/65/77/1434896577.db2.gz LMAMTVGURBSAEL-JTQLQIEISA-N 0 1 380.420 3.369 20 0 GGADMN CSc1cccc(N2C[C@H](C(=O)Nc3c(C)n[nH]c3C(F)F)CC2=O)c1 ZINC000272444233 1434896656 /nfs/dbraw/zinc/89/66/56/1434896656.db2.gz LMAMTVGURBSAEL-SNVBAGLBSA-N 0 1 380.420 3.369 20 0 GGADMN Cc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000272468123 1434898295 /nfs/dbraw/zinc/89/82/95/1434898295.db2.gz KZSCRRKVUVQIDH-DOMZBBRYSA-N 0 1 394.306 3.049 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000272500750 1434901083 /nfs/dbraw/zinc/90/10/83/1434901083.db2.gz NWPIJBGAYBDSEB-DZKIICNBSA-N 0 1 387.484 3.428 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000272508526 1434902214 /nfs/dbraw/zinc/90/22/14/1434902214.db2.gz OOQZYRRXEMMLRY-QLFBSQMISA-N 0 1 381.542 3.160 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000272518061 1434903271 /nfs/dbraw/zinc/90/32/71/1434903271.db2.gz PQDFJVLARWWGPU-CGTJXYLNSA-N 0 1 375.513 3.051 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@@H]([C@H](C)O)C1 ZINC000272525774 1434904316 /nfs/dbraw/zinc/90/43/16/1434904316.db2.gz HXXICJXXHMARJL-SOLBZPMBSA-N 0 1 385.533 3.404 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1nnc[nH]1 ZINC000272525894 1434904430 /nfs/dbraw/zinc/90/44/30/1434904430.db2.gz YYIYXTMWDXJPTD-GFCCVEGCSA-N 0 1 386.456 3.375 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000272537310 1434905536 /nfs/dbraw/zinc/90/55/36/1434905536.db2.gz RLSWFTGCOXXBBJ-ZIAGYGMSSA-N 0 1 380.460 3.427 20 0 GGADMN C[C@H](CC[S@@](C)=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588846 1434911550 /nfs/dbraw/zinc/91/15/50/1434911550.db2.gz HONXVPNWWLMFLM-LNMSCABWSA-N 0 1 397.537 3.065 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272592178 1434911947 /nfs/dbraw/zinc/91/19/47/1434911947.db2.gz XKKQVTNEEICIMZ-PKOBYXMFSA-N 0 1 399.564 3.035 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272592170 1434911962 /nfs/dbraw/zinc/91/19/62/1434911962.db2.gz XKKQVTNEEICIMZ-IEBWSBKVSA-N 0 1 399.564 3.035 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272609090 1434914310 /nfs/dbraw/zinc/91/43/10/1434914310.db2.gz VXEDISHHNBMOFK-JQFCIGGWSA-N 0 1 382.526 3.110 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272609094 1434914323 /nfs/dbraw/zinc/91/43/23/1434914323.db2.gz VXEDISHHNBMOFK-RRQGHBQHSA-N 0 1 382.526 3.110 20 0 GGADMN COC[C@@H](CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)OC ZINC000272615763 1434915454 /nfs/dbraw/zinc/91/54/54/1434915454.db2.gz ILICLMNEBJCZRM-APWZRJJASA-N 0 1 392.883 3.279 20 0 GGADMN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000272621812 1434916372 /nfs/dbraw/zinc/91/63/72/1434916372.db2.gz LZDXRMXVALQIBO-OAHLLOKOSA-N 0 1 393.484 3.032 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000272643780 1434918916 /nfs/dbraw/zinc/91/89/16/1434918916.db2.gz YKYBIQODOAOWRU-WBMJQRKESA-N 0 1 378.394 3.450 20 0 GGADMN c1coc(-c2cc(-c3nc([C@H]4CN(Cc5ccccc5)CCO4)no3)[nH]n2)c1 ZINC000272677069 1434921774 /nfs/dbraw/zinc/92/17/74/1434921774.db2.gz RFIQETGDGLPSLW-GOSISDBHSA-N 0 1 377.404 3.293 20 0 GGADMN C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000272687946 1434922761 /nfs/dbraw/zinc/92/27/61/1434922761.db2.gz BUTDWQFYSSIYRQ-INIZCTEOSA-N 0 1 391.943 3.338 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C[C@H]3CCO[C@H](C(C)C)C3)n2)c(OC)c1 ZINC000272701584 1434924133 /nfs/dbraw/zinc/92/41/33/1434924133.db2.gz GMDWVAQGNJGWOC-BBRMVZONSA-N 0 1 388.468 3.269 20 0 GGADMN O=C(c1ccc(OC2CCCC2)nc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272726142 1434926343 /nfs/dbraw/zinc/92/63/43/1434926343.db2.gz ABDDZZNKYIJLFE-INIZCTEOSA-N 0 1 381.480 3.418 20 0 GGADMN CC[C@@H]1C[C@H](CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000272736224 1434926954 /nfs/dbraw/zinc/92/69/54/1434926954.db2.gz MDDQYMVCHPDRPX-ZHALLVOQSA-N 0 1 391.531 3.350 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000272748553 1434927935 /nfs/dbraw/zinc/92/79/35/1434927935.db2.gz MYUZVOFUKXJNHQ-LHSJRXKWSA-N 0 1 397.475 3.118 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000272752791 1434928143 /nfs/dbraw/zinc/92/81/43/1434928143.db2.gz NRJFFRKLYMQTMC-UHFFFAOYSA-N 0 1 395.454 3.252 20 0 GGADMN C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)C1=CC[N@@H+](C)CC1 ZINC000272755365 1434928452 /nfs/dbraw/zinc/92/84/52/1434928452.db2.gz NXSKSWDLCIEIDY-KRWDZBQOSA-N 0 1 392.503 3.389 20 0 GGADMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272760464 1434928873 /nfs/dbraw/zinc/92/88/73/1434928873.db2.gz FVNMQXQAWOZPSF-HNNXBMFYSA-N 0 1 391.519 3.199 20 0 GGADMN CCCCOc1ccc(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1OC ZINC000272775433 1434930085 /nfs/dbraw/zinc/93/00/85/1434930085.db2.gz QQQJGOCTJOFYNU-MRXNPFEDSA-N 0 1 375.513 3.324 20 0 GGADMN CC(C)[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000272790086 1434931350 /nfs/dbraw/zinc/93/13/50/1434931350.db2.gz XNRANZLFBGMDJP-ZBFHGGJFSA-N 0 1 377.357 3.435 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cn1 ZINC000272831884 1434934431 /nfs/dbraw/zinc/93/44/31/1434934431.db2.gz FOXAERDIJUQNNI-INIZCTEOSA-N 0 1 397.479 3.054 20 0 GGADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000272838655 1434935121 /nfs/dbraw/zinc/93/51/21/1434935121.db2.gz SNSOMLGKKZCYKX-NRFANRHFSA-N 0 1 394.519 3.477 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](C)c2c(F)cccc2F)CC1 ZINC000272856591 1434936414 /nfs/dbraw/zinc/93/64/14/1434936414.db2.gz LYNXDUVMYWVAQL-UONOGXRCSA-N 0 1 382.451 3.196 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC(c3cc(C)n[nH]3)CC2)cc1 ZINC000272886793 1434938614 /nfs/dbraw/zinc/93/86/14/1434938614.db2.gz DCTFQZKDOMBFAI-UHFFFAOYSA-N 0 1 397.523 3.018 20 0 GGADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272902547 1434939750 /nfs/dbraw/zinc/93/97/50/1434939750.db2.gz IUZJEJNCHBWSFD-LAUBAEHRSA-N 0 1 387.524 3.036 20 0 GGADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272902544 1434939804 /nfs/dbraw/zinc/93/98/04/1434939804.db2.gz IUZJEJNCHBWSFD-DYESRHJHSA-N 0 1 387.524 3.036 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccc([S@](C)=O)cc1 ZINC000272917047 1434940766 /nfs/dbraw/zinc/94/07/66/1434940766.db2.gz 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GGADMN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCc1nc(C(F)(F)F)cs1 ZINC000274625694 1435081724 /nfs/dbraw/zinc/08/17/24/1435081724.db2.gz GTJKSUGZPYSKHX-JTQLQIEISA-N 0 1 383.395 3.326 20 0 GGADMN COc1ccc(OC)c(NC(=O)C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000274631369 1435082004 /nfs/dbraw/zinc/08/20/04/1435082004.db2.gz CAOYHYJCZJWPPG-UHFFFAOYSA-N 0 1 394.431 3.425 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cnn(C)c1 ZINC000274679461 1435085049 /nfs/dbraw/zinc/08/50/49/1435085049.db2.gz QZJPPXXTBQZTIS-LRDDRELGSA-N 0 1 383.418 3.102 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1cnn(C)c1 ZINC000274679460 1435085118 /nfs/dbraw/zinc/08/51/18/1435085118.db2.gz QZJPPXXTBQZTIS-BLLLJJGKSA-N 0 1 383.418 3.102 20 0 GGADMN CCCCOc1cc(OC)ccc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000274688109 1435085680 /nfs/dbraw/zinc/08/56/80/1435085680.db2.gz TZXPOMYPAZWRGN-UHFFFAOYSA-N 0 1 399.491 3.287 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000274691100 1435085703 /nfs/dbraw/zinc/08/57/03/1435085703.db2.gz VBEBIVAPEYZVCN-INIZCTEOSA-N 0 1 395.438 3.222 20 0 GGADMN COC(CCCC(C)(C)CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)OC ZINC000274692455 1435085958 /nfs/dbraw/zinc/08/59/58/1435085958.db2.gz NFZBZPIHLFFCHA-UHFFFAOYSA-N 0 1 393.509 3.169 20 0 GGADMN CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000274696064 1435086056 /nfs/dbraw/zinc/08/60/56/1435086056.db2.gz OKTSBGPUNOQTGO-UHFFFAOYSA-N 0 1 396.459 3.067 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CN[C@H]2CCc3c2c(F)ccc3F)cc1F ZINC000274721043 1435087684 /nfs/dbraw/zinc/08/76/84/1435087684.db2.gz BGKXXARFVOMKKZ-KRWDZBQOSA-N 0 1 396.434 3.421 20 0 GGADMN Cc1c(C(=O)Nc2cc(F)cc(Cl)c2O)cnn1CCO[C@H]1CCCCO1 ZINC000274752604 1435089897 /nfs/dbraw/zinc/08/98/97/1435089897.db2.gz XJCCEUSNWLPOOX-INIZCTEOSA-N 0 1 397.834 3.485 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)CCCCc1cn[nH]n1)CC2 ZINC000274761056 1435090493 /nfs/dbraw/zinc/09/04/93/1435090493.db2.gz GUSWVAWWBRVKIJ-UHFFFAOYSA-N 0 1 385.468 3.454 20 0 GGADMN Cc1nnc(SCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[nH]1 ZINC000274764220 1435090751 /nfs/dbraw/zinc/09/07/51/1435090751.db2.gz HKPDDPAVIFBNAI-UHFFFAOYSA-N 0 1 389.481 3.142 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)n1 ZINC000274764220 1435090754 /nfs/dbraw/zinc/09/07/54/1435090754.db2.gz HKPDDPAVIFBNAI-UHFFFAOYSA-N 0 1 389.481 3.142 20 0 GGADMN CCN(C)C(=O)CN[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000274766698 1435091040 /nfs/dbraw/zinc/09/10/40/1435091040.db2.gz GHIAQKKEXOKWHR-ZDUSSCGKSA-N 0 1 391.537 3.188 20 0 GGADMN CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1O ZINC000274777065 1435091661 /nfs/dbraw/zinc/09/16/61/1435091661.db2.gz JTTSKIXLXOBKCK-UHFFFAOYSA-N 0 1 390.461 3.447 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@]2(C)CCCO)N2CCCC2)cc1 ZINC000274782940 1435092039 /nfs/dbraw/zinc/09/20/39/1435092039.db2.gz OIHFHRDMIUXILC-IFMALSPDSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@]2(C)CCCO)N2CCCC2)cc1 ZINC000274782949 1435092101 /nfs/dbraw/zinc/09/21/01/1435092101.db2.gz OIHFHRDMIUXILC-RBBKRZOGSA-N 0 1 389.540 3.169 20 0 GGADMN CCCCOc1c(Cl)cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc1OCC ZINC000274805520 1435094169 /nfs/dbraw/zinc/09/41/69/1435094169.db2.gz UKHBBQAYQJKMKI-LBPRGKRZSA-N 0 1 395.891 3.306 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@]1(C)CCCO)N1CCCC1 ZINC000274824174 1435095750 /nfs/dbraw/zinc/09/57/50/1435095750.db2.gz FNOLXSZBMIDLMI-KNQAVFIVSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CNCc1ccc(OCCO)c(OC)c1 ZINC000274832938 1435096379 /nfs/dbraw/zinc/09/63/79/1435096379.db2.gz UVKGSPGABIEHDM-UHFFFAOYSA-N 0 1 394.471 3.427 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000274853770 1435098066 /nfs/dbraw/zinc/09/80/66/1435098066.db2.gz RUXJLBLXVOIZQH-XUZZJYLKSA-N 0 1 394.515 3.446 20 0 GGADMN COc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)c(OC)c1OC ZINC000274889095 1435101403 /nfs/dbraw/zinc/10/14/03/1435101403.db2.gz DEWCRTFVNVRBGZ-UHFFFAOYSA-N 0 1 386.496 3.020 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000274905161 1435102724 /nfs/dbraw/zinc/10/27/24/1435102724.db2.gz IGRUBCNWVDMSPT-LBPRGKRZSA-N 0 1 378.301 3.422 20 0 GGADMN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cn1 ZINC000274927796 1435104030 /nfs/dbraw/zinc/10/40/30/1435104030.db2.gz QEVUTWOGQLFJRL-MRXNPFEDSA-N 0 1 375.900 3.297 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)c[nH]c12 ZINC000274952058 1435105467 /nfs/dbraw/zinc/10/54/67/1435105467.db2.gz PZIKAGIHKHEMKJ-CQSZACIVSA-N 0 1 385.464 3.236 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274976509 1435107113 /nfs/dbraw/zinc/10/71/13/1435107113.db2.gz LSBNXZCSUFAVQY-INIZCTEOSA-N 0 1 399.514 3.153 20 0 GGADMN COCCCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000275035918 1435111634 /nfs/dbraw/zinc/11/16/34/1435111634.db2.gz UJQUNCKZCCEKLT-UHFFFAOYSA-N 0 1 394.449 3.081 20 0 GGADMN CN1CCN(CCCNc2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000275057975 1435113360 /nfs/dbraw/zinc/11/33/60/1435113360.db2.gz QBBINYMMYXXWGR-UHFFFAOYSA-N 0 1 390.944 3.161 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000275091966 1435115663 /nfs/dbraw/zinc/11/56/63/1435115663.db2.gz CKHZOLUMLZKJOS-KUHUBIRLSA-N 0 1 384.480 3.068 20 0 GGADMN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000275107140 1435116584 /nfs/dbraw/zinc/11/65/84/1435116584.db2.gz XJZBPJOONURDFH-GFCCVEGCSA-N 0 1 386.761 3.214 20 0 GGADMN CCOc1cc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1OC ZINC000275108837 1435116636 /nfs/dbraw/zinc/11/66/36/1435116636.db2.gz BTTKSNJLNADBJU-LBPRGKRZSA-N 0 1 394.821 3.248 20 0 GGADMN CCOc1cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1OC ZINC000275108834 1435116686 /nfs/dbraw/zinc/11/66/86/1435116686.db2.gz BTTKSNJLNADBJU-GFCCVEGCSA-N 0 1 394.821 3.248 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275107807 1435116695 /nfs/dbraw/zinc/11/66/95/1435116695.db2.gz MDMRNLFZBNFKIO-DZGCQCFKSA-N 0 1 393.409 3.167 20 0 GGADMN CCOc1c(Cl)cc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1OC ZINC000275132728 1435118281 /nfs/dbraw/zinc/11/82/81/1435118281.db2.gz LACNHATYLZTPOB-LBPRGKRZSA-N 0 1 394.821 3.248 20 0 GGADMN CCOc1ccc(-c2nc(CN3CC[C@H](C(=O)NCC(F)(F)F)C3)co2)cc1 ZINC000275154507 1435119445 /nfs/dbraw/zinc/11/94/45/1435119445.db2.gz YUHDQJNGEMFZEJ-AWEZNQCLSA-N 0 1 397.397 3.241 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@H](C)n3cnc4ccccc43)C1)CCCC2 ZINC000275209337 1435123071 /nfs/dbraw/zinc/12/30/71/1435123071.db2.gz BMAPVERDHAXKQF-RDJZCZTQSA-N 0 1 377.492 3.455 20 0 GGADMN CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1C ZINC000275211673 1435123271 /nfs/dbraw/zinc/12/32/71/1435123271.db2.gz BRZINBALVWJGQG-INIZCTEOSA-N 0 1 398.507 3.279 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1ccc(C)cc1Cl ZINC000275232685 1435124577 /nfs/dbraw/zinc/12/45/77/1435124577.db2.gz DHKOVRJZOSQICD-LPHOPBHVSA-N 0 1 376.888 3.057 20 0 GGADMN COc1ccc(OC)c(CCC(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275259790 1435126626 /nfs/dbraw/zinc/12/66/26/1435126626.db2.gz IAYFWBQDCGKVEW-GOSISDBHSA-N 0 1 397.519 3.494 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)C1)CCCC2 ZINC000275278583 1435128153 /nfs/dbraw/zinc/12/81/53/1435128153.db2.gz KGBFTODJXIJLQQ-DOTOQJQBSA-N 0 1 396.466 3.109 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000275286885 1435128744 /nfs/dbraw/zinc/12/87/44/1435128744.db2.gz LNWBSAUSLAJDQZ-KSSFIOAISA-N 0 1 397.306 3.402 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3csc([C@H]4CCCO4)n3)C1)CCCC2 ZINC000275289083 1435128981 /nfs/dbraw/zinc/12/89/81/1435128981.db2.gz LPUDEBAWENGRGL-RDTXWAMCSA-N 0 1 386.521 3.466 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3csc([C@@H]4CCCO4)n3)C1)CCCC2 ZINC000275289077 1435129035 /nfs/dbraw/zinc/12/90/35/1435129035.db2.gz LPUDEBAWENGRGL-KDOFPFPSSA-N 0 1 386.521 3.466 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccsc1 ZINC000275302675 1435129830 /nfs/dbraw/zinc/12/98/30/1435129830.db2.gz AOKXHNCSBRSEHV-MRXNPFEDSA-N 0 1 376.457 3.196 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)n1 ZINC000275312276 1435130612 /nfs/dbraw/zinc/13/06/12/1435130612.db2.gz BESHYUUMFLAYFQ-CQSZACIVSA-N 0 1 393.875 3.079 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc(=O)[nH]c4ccccc43)C1)CCCC2 ZINC000275315721 1435130777 /nfs/dbraw/zinc/13/07/77/1435130777.db2.gz OCTCRPXQZZHUMJ-OAHLLOKOSA-N 0 1 376.460 3.411 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C ZINC000275328090 1435131519 /nfs/dbraw/zinc/13/15/19/1435131519.db2.gz QQZCMOVEBGKFSV-YJBOKZPZSA-N 0 1 376.526 3.082 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1c(Cl)cccc1Cl ZINC000275336244 1435132219 /nfs/dbraw/zinc/13/22/19/1435132219.db2.gz RVQIFCIRBJVKLE-KSSFIOAISA-N 0 1 397.306 3.402 20 0 GGADMN NC(=O)c1cccc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000275346490 1435133121 /nfs/dbraw/zinc/13/31/21/1435133121.db2.gz YSFQMQPCKMQTEO-UHFFFAOYSA-N 0 1 394.393 3.168 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000275355506 1435133723 /nfs/dbraw/zinc/13/37/23/1435133723.db2.gz UTOQFWAQKIIYBY-YJBOKZPZSA-N 0 1 396.413 3.114 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2nnc(SC)s2)CCN1Cc1ccccc1 ZINC000275394844 1435136205 /nfs/dbraw/zinc/13/62/05/1435136205.db2.gz HHEZYSGLISNWFR-OAHLLOKOSA-N 0 1 391.566 3.066 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1(C)C ZINC000275430843 1435138750 /nfs/dbraw/zinc/13/87/50/1435138750.db2.gz BDCYOTBRWCKKET-UZLBHIALSA-N 0 1 377.485 3.362 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000275437272 1435139187 /nfs/dbraw/zinc/13/91/87/1435139187.db2.gz IPZOLLATHIGORE-SFHVURJKSA-N 0 1 381.520 3.069 20 0 GGADMN Cc1nn(C)c2sc(C(=O)N3CC[C@H](n4c(C)nc5c4CCCC5)C3)cc12 ZINC000275438700 1435139348 /nfs/dbraw/zinc/13/93/48/1435139348.db2.gz VFQWHYRVHOLWFZ-AWEZNQCLSA-N 0 1 383.521 3.414 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000275468996 1435141391 /nfs/dbraw/zinc/14/13/91/1435141391.db2.gz IOSGLOVQSRTZQE-MRXNPFEDSA-N 0 1 387.390 3.219 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc4c(c3)CCC(=O)N4C)C1)CCCC2 ZINC000275478332 1435142225 /nfs/dbraw/zinc/14/22/25/1435142225.db2.gz YFPYAUALKNKRHA-SFHVURJKSA-N 0 1 392.503 3.067 20 0 GGADMN COc1cc2c(cc1NC(=O)CN(CCO)C1CCOCC1)oc1ccccc12 ZINC000275485501 1435142692 /nfs/dbraw/zinc/14/26/92/1435142692.db2.gz FFBSRXCPRKDUFP-UHFFFAOYSA-N 0 1 398.459 3.006 20 0 GGADMN COC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc1 ZINC000275491319 1435143070 /nfs/dbraw/zinc/14/30/70/1435143070.db2.gz ZNTSCHWRUBEPOI-VSRDTVRMSA-N 0 1 393.487 3.344 20 0 GGADMN CC(=O)Nc1ccc(C)c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275522711 1435145358 /nfs/dbraw/zinc/14/53/58/1435145358.db2.gz QHRNIYAPDXFAKZ-SFHVURJKSA-N 0 1 380.492 3.424 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)o1 ZINC000275532434 1435146158 /nfs/dbraw/zinc/14/61/58/1435146158.db2.gz LZKXOINODXMAQP-HKUYNNGSSA-N 0 1 381.432 3.087 20 0 GGADMN C[C@H]1CN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCN1CC(C)(C)O ZINC000275565679 1435148825 /nfs/dbraw/zinc/14/88/25/1435148825.db2.gz OFXQBRMZOPRXQG-SFHVURJKSA-N 0 1 381.520 3.069 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)cc1 ZINC000275576894 1435149946 /nfs/dbraw/zinc/14/99/46/1435149946.db2.gz CLRPEFWYMWLXPE-UHFFFAOYSA-N 0 1 399.516 3.211 20 0 GGADMN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc2c(cc1OC(F)F)OCO2 ZINC000275579840 1435150141 /nfs/dbraw/zinc/15/01/41/1435150141.db2.gz OXBOKWFWVBOBKQ-GUYCJALGSA-N 0 1 395.406 3.243 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(C3SCCS3)c2)CCN1CC(C)(C)O ZINC000275584463 1435150570 /nfs/dbraw/zinc/15/05/70/1435150570.db2.gz GAJIOQOSQZRENT-CQSZACIVSA-N 0 1 395.594 3.474 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN(C[C@H](C)c2ccc(F)cc2)CC1 ZINC000275637128 1435155299 /nfs/dbraw/zinc/15/52/99/1435155299.db2.gz ABRRJBOUQCFPKI-KRWDZBQOSA-N 0 1 385.483 3.194 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1(C)C ZINC000275663923 1435157735 /nfs/dbraw/zinc/15/77/35/1435157735.db2.gz NFHMYLXPZGLVJH-LPHOPBHVSA-N 0 1 397.972 3.364 20 0 GGADMN CCCCOCCOCc1cccc(NC(=O)[C@]2(N)C[C@H](OCC)C2(C)C)c1 ZINC000275708405 1435161720 /nfs/dbraw/zinc/16/17/20/1435161720.db2.gz GRQCBQQNFHNVAP-SIKLNZKXSA-N 0 1 392.540 3.491 20 0 GGADMN CCCCOCCOCc1cccc(NC(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)c1 ZINC000275708420 1435161736 /nfs/dbraw/zinc/16/17/36/1435161736.db2.gz GRQCBQQNFHNVAP-UGKGYDQZSA-N 0 1 392.540 3.491 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)C1(C)C ZINC000275783249 1435168729 /nfs/dbraw/zinc/16/87/29/1435168729.db2.gz NHRCLAUKTLCVML-DENIHFKCSA-N 0 1 399.491 3.140 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)C1(C)C ZINC000275783269 1435168751 /nfs/dbraw/zinc/16/87/51/1435168751.db2.gz NHRCLAUKTLCVML-UGKGYDQZSA-N 0 1 399.491 3.140 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCSc3ccc(OC)cc32)c1 ZINC000275895801 1435178057 /nfs/dbraw/zinc/17/80/57/1435178057.db2.gz RLZSJXBVIJIVHJ-GOSISDBHSA-N 0 1 392.546 3.320 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H]2CCCSc3ccc(OC)cc32)c1 ZINC000275895802 1435178104 /nfs/dbraw/zinc/17/81/04/1435178104.db2.gz RLZSJXBVIJIVHJ-SFHVURJKSA-N 0 1 392.546 3.320 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cn1 ZINC000275973251 1435183315 /nfs/dbraw/zinc/18/33/15/1435183315.db2.gz NSYFZNXSTXMPJS-CQSZACIVSA-N 0 1 399.882 3.395 20 0 GGADMN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000276050492 1435187878 /nfs/dbraw/zinc/18/78/78/1435187878.db2.gz AFMIEEOQZXKVFE-INIZCTEOSA-N 0 1 384.446 3.418 20 0 GGADMN CCCCCN(CCCOC)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000276066265 1435189013 /nfs/dbraw/zinc/18/90/13/1435189013.db2.gz ZWSATYQKSISJQZ-UHFFFAOYSA-N 0 1 396.438 3.494 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)n[nH]1 ZINC000276116374 1435191960 /nfs/dbraw/zinc/19/19/60/1435191960.db2.gz ARMASJAWIMATAK-QWRGUYRKSA-N 0 1 381.864 3.317 20 0 GGADMN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000276148449 1435193905 /nfs/dbraw/zinc/19/39/05/1435193905.db2.gz QBHBCURQVZQZFO-INIZCTEOSA-N 0 1 384.446 3.418 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2)CC1 ZINC000276158882 1435194681 /nfs/dbraw/zinc/19/46/81/1435194681.db2.gz FGRNRIWFTDMGHH-KRWDZBQOSA-N 0 1 383.458 3.237 20 0 GGADMN CC[C@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)C(C)(C)c1ccccc1 ZINC000276172578 1435195530 /nfs/dbraw/zinc/19/55/30/1435195530.db2.gz WSWVTQKNFWWSQK-SFHVURJKSA-N 0 1 391.475 3.078 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)n[nH]1 ZINC000276175420 1435195535 /nfs/dbraw/zinc/19/55/35/1435195535.db2.gz GSRZKHOVHNCTNQ-NEPJUHHUSA-N 0 1 393.875 3.319 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2[nH]c1=S ZINC000276175778 1435195554 /nfs/dbraw/zinc/19/55/54/1435195554.db2.gz IFRPVUVOVVBGIN-GFCCVEGCSA-N 0 1 385.411 3.025 20 0 GGADMN Cc1cc(C2CC[NH+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)n[nH]1 ZINC000276185551 1435196255 /nfs/dbraw/zinc/19/62/55/1435196255.db2.gz HJBFKORIVRMOCI-HXUWFJFHSA-N 0 1 388.462 3.367 20 0 GGADMN Cc1cc(C2CCN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)n[nH]1 ZINC000276185551 1435196256 /nfs/dbraw/zinc/19/62/56/1435196256.db2.gz HJBFKORIVRMOCI-HXUWFJFHSA-N 0 1 388.462 3.367 20 0 GGADMN COC(=O)c1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c(C)cc1C ZINC000276222430 1435198403 /nfs/dbraw/zinc/19/84/03/1435198403.db2.gz FYJZRJVCHWZISN-UHFFFAOYSA-N 0 1 381.436 3.083 20 0 GGADMN COc1cc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)cc(OC)c1OC ZINC000276224886 1435198611 /nfs/dbraw/zinc/19/86/11/1435198611.db2.gz RGYQKTGAFYMASI-QGZVFWFLSA-N 0 1 376.497 3.126 20 0 GGADMN CCC1(CC)Oc2ccc(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)cc2O1 ZINC000276286433 1435202399 /nfs/dbraw/zinc/20/23/99/1435202399.db2.gz JILPQASZJJBSCE-MRXNPFEDSA-N 0 1 389.496 3.160 20 0 GGADMN CN1CC[C@@H](CNC(=O)N(CCO)C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276364476 1435207269 /nfs/dbraw/zinc/20/72/69/1435207269.db2.gz ZMLPJMLDSLESCT-KSSFIOAISA-N 0 1 383.895 3.028 20 0 GGADMN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]1CC(=O)c2ccccc21 ZINC000276393068 1435208838 /nfs/dbraw/zinc/20/88/38/1435208838.db2.gz AYRGGJLGOJTBNG-NRFANRHFSA-N 0 1 396.462 3.155 20 0 GGADMN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1CC(=O)c2ccccc21 ZINC000276393070 1435208912 /nfs/dbraw/zinc/20/89/12/1435208912.db2.gz AYRGGJLGOJTBNG-OAQYLSRUSA-N 0 1 396.462 3.155 20 0 GGADMN COC(=O)c1cc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c(C)cc1C ZINC000276411527 1435210050 /nfs/dbraw/zinc/21/00/50/1435210050.db2.gz HLZZKQOBYBOUCW-UHFFFAOYSA-N 0 1 396.491 3.271 20 0 GGADMN CCS(=O)(=O)CCCCCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000276412472 1435210063 /nfs/dbraw/zinc/21/00/63/1435210063.db2.gz MKXYXIUHEQGGKQ-AWEZNQCLSA-N 0 1 381.498 3.001 20 0 GGADMN O=C1COc2ccc(CN3CCC(n4ccc(C(F)(F)F)n4)CC3)cc2N1 ZINC000276423625 1435210737 /nfs/dbraw/zinc/21/07/37/1435210737.db2.gz HPKLWWZNSZAFGY-UHFFFAOYSA-N 0 1 380.370 3.070 20 0 GGADMN CC(C)c1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)n(-c2ncccn2)n1 ZINC000276425530 1435210866 /nfs/dbraw/zinc/21/08/66/1435210866.db2.gz GNLFIOODJHGZBD-MRXNPFEDSA-N 0 1 399.524 3.272 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000276434982 1435211236 /nfs/dbraw/zinc/21/12/36/1435211236.db2.gz XIHWVVJYJVJDOA-QGZVFWFLSA-N 0 1 383.540 3.292 20 0 GGADMN O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CC(=O)c2ccccc21 ZINC000276446009 1435211838 /nfs/dbraw/zinc/21/18/38/1435211838.db2.gz LAVCYLLFWLXYBW-QFIPXVFZSA-N 0 1 391.515 3.075 20 0 GGADMN COc1ccc(CN2CCC(CNC(=O)[C@@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000276456620 1435212374 /nfs/dbraw/zinc/21/23/74/1435212374.db2.gz NHMONEHCVRJACN-JOCHJYFZSA-N 0 1 392.499 3.394 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276482792 1435213805 /nfs/dbraw/zinc/21/38/05/1435213805.db2.gz SFIOELVVHNFAOA-GHTZIAJQSA-N 0 1 377.488 3.265 20 0 GGADMN CCS(=O)(=O)CCCCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000276488272 1435214074 /nfs/dbraw/zinc/21/40/74/1435214074.db2.gz QFMNIBQVRUBKDO-IBGZPJMESA-N 0 1 379.522 3.420 20 0 GGADMN O=C(NC[C@H]1CCC2(CCCCC2)O1)NC1CCN(Cc2ccccn2)CC1 ZINC000276590275 1435219366 /nfs/dbraw/zinc/21/93/66/1435219366.db2.gz GMGPLAOEBDBXBY-HXUWFJFHSA-N 0 1 386.540 3.227 20 0 GGADMN O=C(NC[C@@H]1CCC2(CCCCC2)O1)NC1CCN(Cc2ccccn2)CC1 ZINC000276590268 1435219380 /nfs/dbraw/zinc/21/93/80/1435219380.db2.gz GMGPLAOEBDBXBY-FQEVSTJZSA-N 0 1 386.540 3.227 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCOCC(F)F)c2ccc(F)cc2)c1 ZINC000276599067 1435219800 /nfs/dbraw/zinc/21/98/00/1435219800.db2.gz FEEIUALIWVLCCK-GOSISDBHSA-N 0 1 387.423 3.190 20 0 GGADMN O=C(NC[C@@H]1CCC2(CCCCC2)O1)NC1CCN(Cc2ccncc2)CC1 ZINC000276601081 1435220073 /nfs/dbraw/zinc/22/00/73/1435220073.db2.gz HWHBCYZNDFHBIN-FQEVSTJZSA-N 0 1 386.540 3.227 20 0 GGADMN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276685111 1435225092 /nfs/dbraw/zinc/22/50/92/1435225092.db2.gz ITMRRJCUZIPTKN-UHFFFAOYSA-N 0 1 389.463 3.262 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000276702951 1435226285 /nfs/dbraw/zinc/22/62/85/1435226285.db2.gz KTECENXXBSDGJJ-UHFFFAOYSA-N 0 1 386.477 3.153 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000276714295 1435227097 /nfs/dbraw/zinc/22/70/97/1435227097.db2.gz MARBFOSRBPATNW-UHFFFAOYSA-N 0 1 387.461 3.073 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCn2cnnc2[C@H]1C)c1ccccc1Cl ZINC000276720294 1435227521 /nfs/dbraw/zinc/22/75/21/1435227521.db2.gz SKSNJGCONWAJMT-RHSMWYFYSA-N 0 1 390.919 3.101 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@H](N2CCCC2=O)C1 ZINC000276722278 1435227774 /nfs/dbraw/zinc/22/77/74/1435227774.db2.gz AISDELIXAGMMNM-SFHVURJKSA-N 0 1 386.927 3.398 20 0 GGADMN CCc1c(NC(=O)N(C)Cc2nnc[nH]2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000276725400 1435228012 /nfs/dbraw/zinc/22/80/12/1435228012.db2.gz CHAFUHBFPXGYBW-UHFFFAOYSA-N 0 1 393.373 3.236 20 0 GGADMN COc1ccccc1-c1noc([C@@H](C)NC2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000276724927 1435228048 /nfs/dbraw/zinc/22/80/48/1435228048.db2.gz GHFIMFCNLSBXGA-CQSZACIVSA-N 0 1 396.447 3.294 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000276734198 1435228791 /nfs/dbraw/zinc/22/87/91/1435228791.db2.gz BYXLABOWXGYJOY-UZLBHIALSA-N 0 1 392.459 3.094 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n[nH]1 ZINC000276743671 1435229379 /nfs/dbraw/zinc/22/93/79/1435229379.db2.gz BHSHUKMLBARXSI-ZIAGYGMSSA-N 0 1 384.484 3.437 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)NC)ccc2Cl)n[nH]1 ZINC000276758161 1435230245 /nfs/dbraw/zinc/23/02/45/1435230245.db2.gz BIXAISIMDMWODD-ZJUUUORDSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2-c2nncn2CC)n[nH]1 ZINC000276758375 1435230381 /nfs/dbraw/zinc/23/03/81/1435230381.db2.gz BMXNGIHTILOEON-OLZOCXBDSA-N 0 1 382.472 3.479 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OCCOC)c(F)c2)n[nH]1 ZINC000276771971 1435231296 /nfs/dbraw/zinc/23/12/96/1435231296.db2.gz CMSIHFRODOZOIG-VXGBXAGGSA-N 0 1 379.436 3.365 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)n[nH]1 ZINC000276779565 1435231777 /nfs/dbraw/zinc/23/17/77/1435231777.db2.gz AHZDBDAGDXNQQZ-VXGBXAGGSA-N 0 1 391.447 3.060 20 0 GGADMN COc1ccccc1-c1noc([C@@H](C)NC2CCN(CC(F)(F)F)CC2)n1 ZINC000276779674 1435231850 /nfs/dbraw/zinc/23/18/50/1435231850.db2.gz QIJWTLUBQZLFSF-GFCCVEGCSA-N 0 1 384.402 3.423 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)C2=Cc3ccccc3OCC2)n[nH]1 ZINC000276777952 1435231899 /nfs/dbraw/zinc/23/18/99/1435231899.db2.gz CWVNRQQXBISDRP-OLZOCXBDSA-N 0 1 376.482 3.122 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(OCCCOC)c2)n[nH]1 ZINC000276787613 1435232648 /nfs/dbraw/zinc/23/26/48/1435232648.db2.gz BDSKDCHQIXFMMD-CABCVRRESA-N 0 1 389.500 3.294 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)n[nH]1 ZINC000276789502 1435232706 /nfs/dbraw/zinc/23/27/06/1435232706.db2.gz BIJCATDVXWMVPS-GDZNZVCISA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)n[nH]1 ZINC000276791396 1435232709 /nfs/dbraw/zinc/23/27/09/1435232709.db2.gz BOODQGZWULQQSE-GHMZBOCLSA-N 0 1 389.891 3.419 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)n[nH]1 ZINC000276791399 1435232812 /nfs/dbraw/zinc/23/28/12/1435232812.db2.gz BOODQGZWULQQSE-MNOVXSKESA-N 0 1 389.891 3.419 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)n[nH]1 ZINC000276791287 1435232827 /nfs/dbraw/zinc/23/28/27/1435232827.db2.gz BMMMTNYSOXRYFU-UONOGXRCSA-N 0 1 399.495 3.456 20 0 GGADMN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc4cn[nH]c4cc3C)CCC(=O)N2C)cc1 ZINC000276792827 1435232913 /nfs/dbraw/zinc/23/29/13/1435232913.db2.gz RCDOGBBIANDVQQ-LAUBAEHRSA-N 0 1 392.459 3.428 20 0 GGADMN Cc1ccc(OCCCCNC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000276793100 1435233028 /nfs/dbraw/zinc/23/30/28/1435233028.db2.gz LDKYUJDROXDCHZ-UHFFFAOYSA-N 0 1 380.448 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n[nH]1 ZINC000276793187 1435233053 /nfs/dbraw/zinc/23/30/53/1435233053.db2.gz BRFCPCOIXBISLJ-RYUDHWBXSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)n[nH]1 ZINC000276800954 1435233550 /nfs/dbraw/zinc/23/35/50/1435233550.db2.gz CMBLFQZLQYBGDM-RCJJPRLDSA-N 0 1 377.514 3.177 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000276808680 1435234098 /nfs/dbraw/zinc/23/40/98/1435234098.db2.gz DLELTSFCIOJMJV-KBPBESRZSA-N 0 1 387.484 3.313 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(SC(F)F)c2)n[nH]1 ZINC000276810539 1435234342 /nfs/dbraw/zinc/23/43/42/1435234342.db2.gz DPPBGXJLYRMNGG-UWVGGRQHSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(SC(F)F)c2)n[nH]1 ZINC000276810544 1435234346 /nfs/dbraw/zinc/23/43/46/1435234346.db2.gz DPPBGXJLYRMNGG-ZJUUUORDSA-N 0 1 397.451 3.449 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276812475 1435234573 /nfs/dbraw/zinc/23/45/73/1435234573.db2.gz DTENVRLDEKCBEC-QWRGUYRKSA-N 0 1 393.875 3.186 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n[nH]1 ZINC000276814653 1435234584 /nfs/dbraw/zinc/23/45/84/1435234584.db2.gz DXYMUSGJICXEMC-KBPBESRZSA-N 0 1 399.474 3.246 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276821523 1435235230 /nfs/dbraw/zinc/23/52/30/1435235230.db2.gz FPIZIIVALOMAPP-BDAKNGLRSA-N 0 1 390.435 3.396 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cccc(N3CCOC3=O)c2C)n[nH]1 ZINC000276822759 1435235237 /nfs/dbraw/zinc/23/52/37/1435235237.db2.gz IJEFXULIFBHWAQ-WCQYABFASA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OCC(C)C)n[nH]1 ZINC000276826413 1435235603 /nfs/dbraw/zinc/23/56/03/1435235603.db2.gz FYBHUJWYBHVFOU-ZIAGYGMSSA-N 0 1 387.484 3.169 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276832283 1435236017 /nfs/dbraw/zinc/23/60/17/1435236017.db2.gz HSUKSBVBXDKCSJ-MNOVXSKESA-N 0 1 377.445 3.227 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276832281 1435236067 /nfs/dbraw/zinc/23/60/67/1435236067.db2.gz HSUKSBVBXDKCSJ-GHMZBOCLSA-N 0 1 377.445 3.227 20 0 GGADMN COc1ccc([C@@H](NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)C(C)C)cc1 ZINC000276833441 1435236194 /nfs/dbraw/zinc/23/61/94/1435236194.db2.gz RIPSNLBFTRYIPM-IBGZPJMESA-N 0 1 380.448 3.332 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)n[nH]1 ZINC000276842251 1435236919 /nfs/dbraw/zinc/23/69/19/1435236919.db2.gz CFFKBSAHYTVCMM-AVGNSLFASA-N 0 1 380.514 3.142 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C)c1ccsc1 ZINC000276842569 1435236945 /nfs/dbraw/zinc/23/69/45/1435236945.db2.gz SSFYSVYBPOSLDX-SFHVURJKSA-N 0 1 399.520 3.071 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)n[nH]1 ZINC000276845593 1435237090 /nfs/dbraw/zinc/23/70/90/1435237090.db2.gz IILBARLYJXHOBO-ZMSDIMECSA-N 0 1 387.528 3.481 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)n[nH]1 ZINC000276845583 1435237149 /nfs/dbraw/zinc/23/71/49/1435237149.db2.gz IILBARLYJXHOBO-UXLLHSPISA-N 0 1 387.528 3.481 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n[nH]1 ZINC000276849734 1435237414 /nfs/dbraw/zinc/23/74/14/1435237414.db2.gz IVMFGJZYGXFYJW-RYUDHWBXSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(SC)ccc2C)n[nH]1 ZINC000276857342 1435237835 /nfs/dbraw/zinc/23/78/35/1435237835.db2.gz JTDYTMVPCMZHRC-JQWIXIFHSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(SC)ccc2C)n[nH]1 ZINC000276857337 1435237845 /nfs/dbraw/zinc/23/78/45/1435237845.db2.gz JTDYTMVPCMZHRC-CMPLNLGQSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1 ZINC000276857480 1435237882 /nfs/dbraw/zinc/23/78/82/1435237882.db2.gz JVJUBEGIODKGJS-NEPJUHHUSA-N 0 1 391.447 3.060 20 0 GGADMN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc(C)cc3c[nH]nc32)n1 ZINC000276859224 1435237987 /nfs/dbraw/zinc/23/79/87/1435237987.db2.gz MBHPPDKNWMBEEN-HNNXBMFYSA-N 0 1 384.461 3.482 20 0 GGADMN CCNC(=O)C1(CNC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CCC1 ZINC000276865568 1435238472 /nfs/dbraw/zinc/23/84/72/1435238472.db2.gz KZSVNHFHNRPTOH-KRWDZBQOSA-N 0 1 383.496 3.024 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(C)cc2OCCOC)n[nH]1 ZINC000276863848 1435238510 /nfs/dbraw/zinc/23/85/10/1435238510.db2.gz KRKUSYMLCKGIOT-HUUCEWRRSA-N 0 1 389.500 3.212 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@H](C)Oc2ccccc2OC)n[nH]1 ZINC000276863800 1435238537 /nfs/dbraw/zinc/23/85/37/1435238537.db2.gz KPAKOEGFSHTRPI-IHRRRGAJSA-N 0 1 375.473 3.155 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)n[nH]1 ZINC000276867253 1435238715 /nfs/dbraw/zinc/23/87/15/1435238715.db2.gz LATRMVACTHQBHW-WCQYABFASA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276871284 1435238974 /nfs/dbraw/zinc/23/89/74/1435238974.db2.gz HHRNMJSYKVPYMQ-VSONXHSHSA-N 0 1 388.468 3.235 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276871135 1435238987 /nfs/dbraw/zinc/23/89/87/1435238987.db2.gz LNXZPPXNVKKWEZ-ZIAGYGMSSA-N 0 1 387.484 3.313 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276873521 1435239062 /nfs/dbraw/zinc/23/90/62/1435239062.db2.gz LUVMMOGJOWPBIV-ZIAGYGMSSA-N 0 1 387.484 3.231 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)n[nH]1 ZINC000276873259 1435239168 /nfs/dbraw/zinc/23/91/68/1435239168.db2.gz LQEHNQMHXZURKH-RKDXNWHRSA-N 0 1 397.451 3.134 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cn(C)nc2-c2ccccc2)n[nH]1 ZINC000276875218 1435239319 /nfs/dbraw/zinc/23/93/19/1435239319.db2.gz LVGAAKZFTKLEDV-UONOGXRCSA-N 0 1 381.484 3.279 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccccc2OCc2noc(C)n2)n[nH]1 ZINC000276878874 1435239515 /nfs/dbraw/zinc/23/95/15/1435239515.db2.gz IFMQJJQJFXHRTJ-NEPJUHHUSA-N 0 1 384.440 3.080 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(F)(F)F)n[nH]1 ZINC000276885766 1435240260 /nfs/dbraw/zinc/24/02/60/1435240260.db2.gz MUUYNWAMVHPLTC-UWVGGRQHSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2C(F)(F)F)n[nH]1 ZINC000276885768 1435240293 /nfs/dbraw/zinc/24/02/93/1435240293.db2.gz MUUYNWAMVHPLTC-VHSXEESVSA-N 0 1 383.374 3.153 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2csc([C@H]3CCCO3)n2)[nH]1 ZINC000276891351 1435240698 /nfs/dbraw/zinc/24/06/98/1435240698.db2.gz NCEAHWYFKHZSKB-GFCCVEGCSA-N 0 1 392.481 3.489 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)n[nH]1 ZINC000276902724 1435241520 /nfs/dbraw/zinc/24/15/20/1435241520.db2.gz PARFPFKUUIMMAQ-CHWSQXEVSA-N 0 1 397.483 3.065 20 0 GGADMN CN1C(=O)C[C@@H](NCc2cc(F)cc3c2OCOC3)[C@H]1c1ccc(F)c(F)c1 ZINC000276905501 1435241849 /nfs/dbraw/zinc/24/18/49/1435241849.db2.gz IKTPXVQPYGECFG-IEBWSBKVSA-N 0 1 392.377 3.032 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000276909608 1435242115 /nfs/dbraw/zinc/24/21/15/1435242115.db2.gz FLNSYGNPQRSWFE-OAHLLOKOSA-N 0 1 398.850 3.493 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276909277 1435242119 /nfs/dbraw/zinc/24/21/19/1435242119.db2.gz JSXWJHRKFAYVKM-QWRGUYRKSA-N 0 1 377.445 3.227 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000276917928 1435242832 /nfs/dbraw/zinc/24/28/32/1435242832.db2.gz KTNCHEGUJDRPNQ-SZMVWBNQSA-N 0 1 376.526 3.022 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cc(COC(C)(C)C)on2)n[nH]1 ZINC000276919279 1435242923 /nfs/dbraw/zinc/24/29/23/1435242923.db2.gz RHKXYBCOHWLTRI-NEPJUHHUSA-N 0 1 378.477 3.182 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)n[nH]1 ZINC000276920704 1435243052 /nfs/dbraw/zinc/24/30/52/1435243052.db2.gz RPBZDUVNOZQVBN-GXSJLCMTSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)n[nH]1 ZINC000276924035 1435243548 /nfs/dbraw/zinc/24/35/48/1435243548.db2.gz SAWPXKUEMDJJCB-QWHCGFSZSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccccc2)n[nH]1 ZINC000276927012 1435243756 /nfs/dbraw/zinc/24/37/56/1435243756.db2.gz SJBGBBRHHLXXSV-ZIAGYGMSSA-N 0 1 392.463 3.196 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)n[nH]1 ZINC000276928693 1435243898 /nfs/dbraw/zinc/24/38/98/1435243898.db2.gz STLPCEDPPSVGDH-GXSJLCMTSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)n[nH]1 ZINC000276928510 1435243907 /nfs/dbraw/zinc/24/39/07/1435243907.db2.gz SPLCGJSVEIDHAN-TZMCWYRMSA-N 0 1 387.484 3.230 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)n[nH]1 ZINC000276928507 1435243922 /nfs/dbraw/zinc/24/39/22/1435243922.db2.gz SPLCGJSVEIDHAN-OCCSQVGLSA-N 0 1 387.484 3.230 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)n[nH]1 ZINC000276928675 1435244011 /nfs/dbraw/zinc/24/40/11/1435244011.db2.gz STGQFMKTGXTTLD-KGLIPLIRSA-N 0 1 387.484 3.059 20 0 GGADMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000276930266 1435244110 /nfs/dbraw/zinc/24/41/10/1435244110.db2.gz ABAHMJHZBXGDMN-UHFFFAOYSA-N 0 1 397.500 3.230 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000276931583 1435244123 /nfs/dbraw/zinc/24/41/23/1435244123.db2.gz MIZHPIUJVADCCI-UONOGXRCSA-N 0 1 384.484 3.323 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000276931586 1435244265 /nfs/dbraw/zinc/24/42/65/1435244265.db2.gz MIZHPIUJVADCCI-ZIAGYGMSSA-N 0 1 384.484 3.323 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000276936316 1435244789 /nfs/dbraw/zinc/24/47/89/1435244789.db2.gz JLGJMVFJHRVENI-QGZVFWFLSA-N 0 1 394.431 3.006 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)c3n[nH]c([C@@H](C)CC)n3)ccc21 ZINC000276937412 1435244873 /nfs/dbraw/zinc/24/48/73/1435244873.db2.gz UJFDJBKRKCOURZ-UONOGXRCSA-N 0 1 396.495 3.499 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)n[nH]1 ZINC000276937393 1435244906 /nfs/dbraw/zinc/24/49/06/1435244906.db2.gz UIUBFEVQGTVQLG-KOLCDFICSA-N 0 1 397.401 3.461 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)c3n[nH]c([C@H](C)CC)n3)ccc21 ZINC000276937415 1435244949 /nfs/dbraw/zinc/24/49/49/1435244949.db2.gz UJFDJBKRKCOURZ-ZIAGYGMSSA-N 0 1 396.495 3.499 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2C)n[nH]1 ZINC000276937191 1435245010 /nfs/dbraw/zinc/24/50/10/1435245010.db2.gz MZTQTTVHLYFEGD-DGCLKSJQSA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)n[nH]1 ZINC000276937391 1435245046 /nfs/dbraw/zinc/24/50/46/1435245046.db2.gz UIUBFEVQGTVQLG-GXSJLCMTSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)n[nH]1 ZINC000276939492 1435245155 /nfs/dbraw/zinc/24/51/55/1435245155.db2.gz NGVUXWNTCQXZEI-KKUMJFAQSA-N 0 1 386.500 3.426 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)n[nH]1 ZINC000276939499 1435245222 /nfs/dbraw/zinc/24/52/22/1435245222.db2.gz NGVUXWNTCQXZEI-ZNMIVQPWSA-N 0 1 386.500 3.426 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)n[nH]1 ZINC000276943586 1435245646 /nfs/dbraw/zinc/24/56/46/1435245646.db2.gz UYHXSUVTLWXSSV-ZJUUUORDSA-N 0 1 399.373 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)n[nH]1 ZINC000276943580 1435245712 /nfs/dbraw/zinc/24/57/12/1435245712.db2.gz UYHXSUVTLWXSSV-VHSXEESVSA-N 0 1 399.373 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccn(-c3ccccc3)n2)n[nH]1 ZINC000276947741 1435246012 /nfs/dbraw/zinc/24/60/12/1435246012.db2.gz VMLPXBFJSXXUOB-LSDHHAIUSA-N 0 1 381.484 3.107 20 0 GGADMN CC(C)OCCOCc1cccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1 ZINC000276952014 1435246545 /nfs/dbraw/zinc/24/65/45/1435246545.db2.gz BSULNPXDCOGJKU-UHFFFAOYSA-N 0 1 390.402 3.024 20 0 GGADMN COc1cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)ccc1O ZINC000276954028 1435246548 /nfs/dbraw/zinc/24/65/48/1435246548.db2.gz RAVUBNQEEMXWIO-UHFFFAOYSA-N 0 1 378.432 3.206 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)n[nH]1 ZINC000276955734 1435246680 /nfs/dbraw/zinc/24/66/80/1435246680.db2.gz WNKHLXYCJDIZID-WDEREUQCSA-N 0 1 396.451 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)n[nH]1 ZINC000276955728 1435246727 /nfs/dbraw/zinc/24/67/27/1435246727.db2.gz WNKHLXYCJDIZID-GHMZBOCLSA-N 0 1 396.451 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000276957465 1435246831 /nfs/dbraw/zinc/24/68/31/1435246831.db2.gz WPBDZBOOHHGZEK-VHSXEESVSA-N 0 1 399.373 3.033 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cnn(C(C)C)c2)CC1 ZINC000276958298 1435247073 /nfs/dbraw/zinc/24/70/73/1435247073.db2.gz GDAYOGDJVGAROT-UHFFFAOYSA-N 0 1 376.526 3.144 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1 ZINC000276959025 1435247130 /nfs/dbraw/zinc/24/71/30/1435247130.db2.gz PCIXMMIDFITVGJ-GJZGRUSLSA-N 0 1 386.500 3.033 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000276960885 1435247244 /nfs/dbraw/zinc/24/72/44/1435247244.db2.gz PFRPBOTWIJAFFK-HQRMLTQVSA-N 0 1 386.496 3.088 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000276960888 1435247263 /nfs/dbraw/zinc/24/72/63/1435247263.db2.gz PFRPBOTWIJAFFK-QRFRQXIXSA-N 0 1 386.496 3.088 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3c4c(cccc42)CC3)n[nH]1 ZINC000276980103 1435249186 /nfs/dbraw/zinc/24/91/86/1435249186.db2.gz ZHMXJPACVOWQKZ-CHWSQXEVSA-N 0 1 391.475 3.386 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1Cl ZINC000276981840 1435249549 /nfs/dbraw/zinc/24/95/49/1435249549.db2.gz ZLULCBHAFDFXPK-MNOVXSKESA-N 0 1 393.875 3.186 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1Cl ZINC000276981847 1435249563 /nfs/dbraw/zinc/24/95/63/1435249563.db2.gz ZLULCBHAFDFXPK-WDEREUQCSA-N 0 1 393.875 3.186 20 0 GGADMN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000276988118 1435250129 /nfs/dbraw/zinc/25/01/29/1435250129.db2.gz GIKLIONNKCCZKG-GFCCVEGCSA-N 0 1 388.386 3.030 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cs1 ZINC000276995613 1435250717 /nfs/dbraw/zinc/25/07/17/1435250717.db2.gz JBPBGVSQDSLZLQ-SNVBAGLBSA-N 0 1 385.411 3.444 20 0 GGADMN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000277010966 1435251705 /nfs/dbraw/zinc/25/17/05/1435251705.db2.gz PQSVMSNLZHYXQV-OAHLLOKOSA-N 0 1 392.459 3.055 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000277030815 1435254092 /nfs/dbraw/zinc/25/40/92/1435254092.db2.gz SDWXNUUSJOORID-UHFFFAOYSA-N 0 1 381.411 3.188 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)n[nH]1 ZINC000277050548 1435256535 /nfs/dbraw/zinc/25/65/35/1435256535.db2.gz LJIJTWOSRMHPBW-SYTFOFBDSA-N 0 1 385.493 3.124 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2OCCn2ccnc2)n[nH]1 ZINC000277053808 1435256850 /nfs/dbraw/zinc/25/68/50/1435256850.db2.gz ZUTCXGZNSXSYNN-CABCVRRESA-N 0 1 397.483 3.476 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)cc2C)n[nH]1 ZINC000277075140 1435259523 /nfs/dbraw/zinc/25/95/23/1435259523.db2.gz RHEOKCQQZGNEHM-DZGCQCFKSA-N 0 1 386.500 3.346 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000277076338 1435259617 /nfs/dbraw/zinc/25/96/17/1435259617.db2.gz BYIGXNYMFGAYMD-HUUCEWRRSA-N 0 1 398.511 3.001 20 0 GGADMN CC(C)Cn1ncc(C(=O)N2CCN(C3CCOCC3)CC2)c1-c1ccccc1 ZINC000277077426 1435259900 /nfs/dbraw/zinc/25/99/00/1435259900.db2.gz TWMDYROEUWDYPO-UHFFFAOYSA-N 0 1 396.535 3.143 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000277080354 1435260007 /nfs/dbraw/zinc/26/00/07/1435260007.db2.gz UHUVBVFOGSYRMY-IBGZPJMESA-N 0 1 389.519 3.309 20 0 GGADMN CC(C)Cn1ncc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1-c1ccccc1 ZINC000277088802 1435260810 /nfs/dbraw/zinc/26/08/10/1435260810.db2.gz KBENFBCHNXBEMR-LJQANCHMSA-N 0 1 396.535 3.000 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000277092978 1435261177 /nfs/dbraw/zinc/26/11/77/1435261177.db2.gz ZFXZINITWMZMJS-UHFFFAOYSA-N 0 1 380.448 3.256 20 0 GGADMN CCn1nc(C)c(S(=O)(=O)N(c2ccccc2)C2CCN(CC)CC2)c1C ZINC000277098071 1435261671 /nfs/dbraw/zinc/26/16/71/1435261671.db2.gz STBPZOQKMHGVPG-UHFFFAOYSA-N 0 1 390.553 3.199 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000277100439 1435261869 /nfs/dbraw/zinc/26/18/69/1435261869.db2.gz WBMDCJPMULVQCX-INIZCTEOSA-N 0 1 377.558 3.232 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)n[nH]1 ZINC000277108692 1435262896 /nfs/dbraw/zinc/26/28/96/1435262896.db2.gz FQJXWGPRRUNOTA-WFASDCNBSA-N 0 1 396.499 3.076 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n[nH]1 ZINC000277126360 1435265410 /nfs/dbraw/zinc/26/54/10/1435265410.db2.gz UAKWZELFTOWJRQ-LJIGWXMPSA-N 0 1 383.496 3.105 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n[nH]1 ZINC000277126355 1435265427 /nfs/dbraw/zinc/26/54/27/1435265427.db2.gz UAKWZELFTOWJRQ-JKQORVJESA-N 0 1 383.496 3.105 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)n[nH]1 ZINC000277131884 1435265987 /nfs/dbraw/zinc/26/59/87/1435265987.db2.gz CSUZEBZCMUAHEF-GHMZBOCLSA-N 0 1 386.456 3.094 20 0 GGADMN C[C@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccncc3)CC2)C1=O ZINC000277136219 1435266852 /nfs/dbraw/zinc/26/68/52/1435266852.db2.gz AESRZSYSHGOSRY-QGZVFWFLSA-N 0 1 378.476 3.071 20 0 GGADMN C[C@@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccncc3)CC2)C1=O ZINC000277136216 1435266930 /nfs/dbraw/zinc/26/69/30/1435266930.db2.gz AESRZSYSHGOSRY-KRWDZBQOSA-N 0 1 378.476 3.071 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(CN3CCCC3=O)c2)n[nH]1 ZINC000277140989 1435267824 /nfs/dbraw/zinc/26/78/24/1435267824.db2.gz GVXSZHDNUVUVEW-CABCVRRESA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cn2c(CSC)nc3ccccc32)n[nH]1 ZINC000277143874 1435268117 /nfs/dbraw/zinc/26/81/17/1435268117.db2.gz VNWKIAOPLWGPGT-QWHCGFSZSA-N 0 1 386.525 3.408 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277144571 1435268311 /nfs/dbraw/zinc/26/83/11/1435268311.db2.gz AGQITZITMQYYLK-JLTOFOAXSA-N 0 1 392.459 3.481 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccnc(N3CCCCC3)c2)n[nH]1 ZINC000277144816 1435268568 /nfs/dbraw/zinc/26/85/68/1435268568.db2.gz HAMYCANKVZIKQI-HUUCEWRRSA-N 0 1 385.516 3.264 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000277149999 1435269148 /nfs/dbraw/zinc/26/91/48/1435269148.db2.gz HLLZWEJENQMQGI-KBPBESRZSA-N 0 1 386.500 3.018 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000277150007 1435269205 /nfs/dbraw/zinc/26/92/05/1435269205.db2.gz HLLZWEJENQMQGI-ZIAGYGMSSA-N 0 1 386.500 3.018 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)N2CCSc3ccccc32)c2ccccc2)n1 ZINC000277152584 1435269930 /nfs/dbraw/zinc/26/99/30/1435269930.db2.gz JTHAPZWCPHHGLT-QGZVFWFLSA-N 0 1 394.500 3.390 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277163753 1435271619 /nfs/dbraw/zinc/27/16/19/1435271619.db2.gz XHSBSSWBMWYXBX-UONOGXRCSA-N 0 1 399.495 3.239 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)n[nH]1 ZINC000277170848 1435272777 /nfs/dbraw/zinc/27/27/77/1435272777.db2.gz HWFHMYXQEHHBTM-ZIAGYGMSSA-N 0 1 397.483 3.454 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)n[nH]1 ZINC000277170847 1435272871 /nfs/dbraw/zinc/27/28/71/1435272871.db2.gz HWFHMYXQEHHBTM-UONOGXRCSA-N 0 1 397.483 3.454 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(Cn3cccn3)c2)n[nH]1 ZINC000277171854 1435273100 /nfs/dbraw/zinc/27/31/00/1435273100.db2.gz JFYPNQYCQQBGTK-CABCVRRESA-N 0 1 381.484 3.123 20 0 GGADMN COc1ccc(CC[C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1O ZINC000277180776 1435274799 /nfs/dbraw/zinc/27/47/99/1435274799.db2.gz HSCNTYJXPUXLCC-OXQOHEQNSA-N 0 1 397.519 3.284 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)n[nH]1 ZINC000277185064 1435275599 /nfs/dbraw/zinc/27/55/99/1435275599.db2.gz KGQIKGBQDMCWJI-ZIAGYGMSSA-N 0 1 397.483 3.073 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000277189409 1435275810 /nfs/dbraw/zinc/27/58/10/1435275810.db2.gz KPNWOXANGQIMIF-ZSXPUABSSA-N 0 1 382.508 3.103 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000277189406 1435276107 /nfs/dbraw/zinc/27/61/07/1435276107.db2.gz KPNWOXANGQIMIF-QIJZPMMNSA-N 0 1 382.508 3.103 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)Nc2nc(C)c(C)s2)c2ccccc2)n1 ZINC000277196589 1435277027 /nfs/dbraw/zinc/27/70/27/1435277027.db2.gz DKIZCAKPAUWHAG-WBMJQRKESA-N 0 1 385.493 3.352 20 0 GGADMN O=C1N[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000277204980 1435278212 /nfs/dbraw/zinc/27/82/12/1435278212.db2.gz FAMJUINLAZYSGO-KBPBESRZSA-N 0 1 389.805 3.350 20 0 GGADMN O=C1N[C@@H](CC(F)(F)F)C(=O)N1C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000277204989 1435278258 /nfs/dbraw/zinc/27/82/58/1435278258.db2.gz FAMJUINLAZYSGO-UONOGXRCSA-N 0 1 389.805 3.350 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)N2CCc3ccccc3C2)c2ccccc2)n1 ZINC000277220290 1435280341 /nfs/dbraw/zinc/28/03/41/1435280341.db2.gz FYVIGRUZAJZFBN-IIBYNOLFSA-N 0 1 390.487 3.225 20 0 GGADMN Cc1noc(C[C@@H](N[C@H]2CCN(c3ccccc3F)C2=O)c2ccccc2)n1 ZINC000277224041 1435280934 /nfs/dbraw/zinc/28/09/34/1435280934.db2.gz GGEBVBASDIQZMK-ZWKOTPCHSA-N 0 1 380.423 3.196 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)n1 ZINC000277224892 1435281001 /nfs/dbraw/zinc/28/10/01/1435281001.db2.gz YBRDHRZFOHLVJX-KUHUBIRLSA-N 0 1 385.489 3.416 20 0 GGADMN O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1C[C@H](c1ccco1)N1CCCCC1 ZINC000277225139 1435281182 /nfs/dbraw/zinc/28/11/82/1435281182.db2.gz FPPCJFXDXJNZFT-RBUKOAKNSA-N 0 1 379.460 3.196 20 0 GGADMN O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1C[C@@H](c1ccco1)N1CCCCC1 ZINC000277225137 1435281281 /nfs/dbraw/zinc/28/12/81/1435281281.db2.gz FPPCJFXDXJNZFT-OALUTQOASA-N 0 1 379.460 3.196 20 0 GGADMN COc1cccc(C=C2CCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CC2)c1 ZINC000277226160 1435281464 /nfs/dbraw/zinc/28/14/64/1435281464.db2.gz ZOVYFKYULIAIHN-UHFFFAOYSA-N 0 1 384.398 3.158 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC000277232448 1435282301 /nfs/dbraw/zinc/28/23/01/1435282301.db2.gz YWJOUDSZLVGJQA-OXJNMPFZSA-N 0 1 399.516 3.422 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC000277232456 1435282393 /nfs/dbraw/zinc/28/23/93/1435282393.db2.gz YWJOUDSZLVGJQA-UZLBHIALSA-N 0 1 399.516 3.422 20 0 GGADMN O=C1NC2(CCSCC2)C(=O)N1C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000277238573 1435283361 /nfs/dbraw/zinc/28/33/61/1435283361.db2.gz HCYMWDZNSRIVRW-INIZCTEOSA-N 0 1 393.940 3.295 20 0 GGADMN O=C1NC2(CCSCC2)C(=O)N1C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000277238578 1435283450 /nfs/dbraw/zinc/28/34/50/1435283450.db2.gz HCYMWDZNSRIVRW-MRXNPFEDSA-N 0 1 393.940 3.295 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)N2CCCc3ccccc32)c2ccccc2)n1 ZINC000277262317 1435286197 /nfs/dbraw/zinc/28/61/97/1435286197.db2.gz QZTZJHAIKTXEEQ-IBGZPJMESA-N 0 1 376.460 3.231 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)n[nH]1 ZINC000277263595 1435286733 /nfs/dbraw/zinc/28/67/33/1435286733.db2.gz QXEADCPGKLAEPW-ZENOOKHLSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000277277272 1435288444 /nfs/dbraw/zinc/28/84/44/1435288444.db2.gz RZNFWUGGRVIRBG-KBPBESRZSA-N 0 1 384.484 3.005 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277287088 1435289435 /nfs/dbraw/zinc/28/94/35/1435289435.db2.gz IWKRLGFUEHVVGF-KXBFYZLASA-N 0 1 386.565 3.254 20 0 GGADMN C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1(C)C ZINC000277314637 1435293236 /nfs/dbraw/zinc/29/32/36/1435293236.db2.gz KUBFAABPJGNDRF-MISYRCLQSA-N 0 1 386.536 3.035 20 0 GGADMN CC(=O)Nc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1F ZINC000277325119 1435294132 /nfs/dbraw/zinc/29/41/32/1435294132.db2.gz DLXLOYRKNUJAPR-CQSZACIVSA-N 0 1 384.455 3.135 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000277339267 1435295895 /nfs/dbraw/zinc/29/58/95/1435295895.db2.gz DKUITCKURQGTRI-GOSISDBHSA-N 0 1 388.830 3.336 20 0 GGADMN Cc1cc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])cc(C)c1OCc1ccccn1 ZINC000277351854 1435297512 /nfs/dbraw/zinc/29/75/12/1435297512.db2.gz PLPARTNMBWREHK-NRFANRHFSA-N 0 1 397.519 3.306 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccccc2Cn2ccnc2)n[nH]1 ZINC000277359499 1435298008 /nfs/dbraw/zinc/29/80/08/1435298008.db2.gz YOORZXJAEFXXOC-GJZGRUSLSA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCCn2c(C)nc3ccccc32)n[nH]1 ZINC000277369479 1435299042 /nfs/dbraw/zinc/29/90/42/1435299042.db2.gz ZHTZJMKZSZXWBX-KBPBESRZSA-N 0 1 383.500 3.427 20 0 GGADMN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277390437 1435301129 /nfs/dbraw/zinc/30/11/29/1435301129.db2.gz BXYMCFQHMZLTHZ-QGZVFWFLSA-N 0 1 398.532 3.190 20 0 GGADMN COc1ccccc1[C@@H](CN1C(=O)N[C@H](CC(F)(F)F)C1=O)N1CCCCC1 ZINC000277392055 1435301269 /nfs/dbraw/zinc/30/12/69/1435301269.db2.gz POKVLGKTVQEJNY-HUUCEWRRSA-N 0 1 399.413 3.095 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277394894 1435301481 /nfs/dbraw/zinc/30/14/81/1435301481.db2.gz ZCPZNAUWKHPKFD-GOSISDBHSA-N 0 1 380.448 3.289 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000277416658 1435303263 /nfs/dbraw/zinc/30/32/63/1435303263.db2.gz FAFJMCYKBSDMSH-AWEZNQCLSA-N 0 1 392.477 3.086 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](Cc2nc(C)no2)c2ccccc2)C1=O ZINC000277428072 1435304038 /nfs/dbraw/zinc/30/40/38/1435304038.db2.gz PUFDFAKDUDEXIV-QZTJIDSGSA-N 0 1 392.459 3.066 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000277455195 1435305700 /nfs/dbraw/zinc/30/57/00/1435305700.db2.gz IJWBOCNANNTJDL-KRWDZBQOSA-N 0 1 397.441 3.253 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)cc2)cs1 ZINC000277459174 1435306230 /nfs/dbraw/zinc/30/62/30/1435306230.db2.gz ISDQLWAOWNVUKC-GOSISDBHSA-N 0 1 398.532 3.190 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccccc1NC(C)(C)C ZINC000277481441 1435307506 /nfs/dbraw/zinc/30/75/06/1435307506.db2.gz ZZVRFHJGINPMSK-UHFFFAOYSA-N 0 1 392.463 3.339 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(F)cc2S(=O)(=O)CC)n[nH]1 ZINC000277484345 1435307570 /nfs/dbraw/zinc/30/75/70/1435307570.db2.gz SRAFMMSUQTUYOK-QWRGUYRKSA-N 0 1 397.476 3.134 20 0 GGADMN Cc1[nH]c(SCc2nnnn2CC2CCOCC2)nc1Cc1ccccc1 ZINC000277497131 1435308329 /nfs/dbraw/zinc/30/83/29/1435308329.db2.gz MBFUFXMECCAPFN-UHFFFAOYSA-N 0 1 384.509 3.014 20 0 GGADMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2cccc3c2OCCCO3)c1OC ZINC000277507326 1435308952 /nfs/dbraw/zinc/30/89/52/1435308952.db2.gz XZENDHPOMABACA-INIZCTEOSA-N 0 1 387.432 3.171 20 0 GGADMN CC(=O)Nc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1F ZINC000277513081 1435309490 /nfs/dbraw/zinc/30/94/90/1435309490.db2.gz UNUQAZIQBKGQQP-QGZVFWFLSA-N 0 1 375.469 3.413 20 0 GGADMN COc1ccc(N(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c(OC)c1 ZINC000277518205 1435310021 /nfs/dbraw/zinc/31/00/21/1435310021.db2.gz AVBPJIVYOZREMX-UHFFFAOYSA-N 0 1 398.507 3.432 20 0 GGADMN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)c2)n1 ZINC000277521880 1435310159 /nfs/dbraw/zinc/31/01/59/1435310159.db2.gz OCOHKOPHBRATAZ-GOSISDBHSA-N 0 1 396.491 3.030 20 0 GGADMN O=C([C@H]1OCCc2ccccc21)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277532636 1435310841 /nfs/dbraw/zinc/31/08/41/1435310841.db2.gz ADJUFUUVULWLOY-BBRMVZONSA-N 0 1 379.382 3.449 20 0 GGADMN O=C([C@H]1OCCc2ccccc21)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277532642 1435310894 /nfs/dbraw/zinc/31/08/94/1435310894.db2.gz ADJUFUUVULWLOY-CJNGLKHVSA-N 0 1 379.382 3.449 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)n1 ZINC000277535825 1435311063 /nfs/dbraw/zinc/31/10/63/1435311063.db2.gz XXHOKZAHBUNYLN-GUYCJALGSA-N 0 1 394.431 3.007 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)n1 ZINC000277535830 1435311156 /nfs/dbraw/zinc/31/11/56/1435311156.db2.gz XXHOKZAHBUNYLN-SUMWQHHRSA-N 0 1 394.431 3.007 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)c(F)cc1F ZINC000277538058 1435311397 /nfs/dbraw/zinc/31/13/97/1435311397.db2.gz GQSLBDFVOZASMV-UHFFFAOYSA-N 0 1 399.419 3.172 20 0 GGADMN COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2ncc(C)s2)CC1 ZINC000277538348 1435311404 /nfs/dbraw/zinc/31/14/04/1435311404.db2.gz RWLFIQRNWBWVLD-INIZCTEOSA-N 0 1 392.521 3.088 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(CN[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277551750 1435312374 /nfs/dbraw/zinc/31/23/74/1435312374.db2.gz RAGFWZOIDWFSRW-FOIQADDNSA-N 0 1 395.459 3.392 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c2ccccc2)n1 ZINC000277555862 1435312618 /nfs/dbraw/zinc/31/26/18/1435312618.db2.gz ZHSSMZBEKIVBHB-MGPUTAFESA-N 0 1 396.466 3.438 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C1CC1)c1sccc1NC(=O)c1ccncc1 ZINC000277559864 1435312770 /nfs/dbraw/zinc/31/27/70/1435312770.db2.gz PDXHQMQWLFVUPI-INIZCTEOSA-N 0 1 384.505 3.142 20 0 GGADMN c1sc(COc2ccccc2)nc1CNC1CCN(c2cccnn2)CC1 ZINC000277624676 1435317198 /nfs/dbraw/zinc/31/71/98/1435317198.db2.gz KGUQRYPZDJUGRW-UHFFFAOYSA-N 0 1 381.505 3.271 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000277628217 1435317556 /nfs/dbraw/zinc/31/75/56/1435317556.db2.gz ZQAAMOKZPLBDQN-UHFFFAOYSA-N 0 1 386.477 3.217 20 0 GGADMN CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)n1 ZINC000277637487 1435318291 /nfs/dbraw/zinc/31/82/91/1435318291.db2.gz BVTWCHOKINBXMV-UHFFFAOYSA-N 0 1 381.436 3.016 20 0 GGADMN CCC1CCC2(CC1)NC(=O)N(C1CCN([C@H](C)c3ccncc3)CC1)C2=O ZINC000277660436 1435320018 /nfs/dbraw/zinc/32/00/18/1435320018.db2.gz MVFJXSIHOLOKHA-CSZIGFGKSA-N 0 1 384.524 3.498 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)[C@H](c3ccccc3)N(C)C2=O)CC1 ZINC000277662236 1435320079 /nfs/dbraw/zinc/32/00/79/1435320079.db2.gz NADMRASKVAMYTM-UZLBHIALSA-N 0 1 378.476 3.242 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCNC(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000277675840 1435321211 /nfs/dbraw/zinc/32/12/11/1435321211.db2.gz BRDCZHLGXWDABM-CABCVRRESA-N 0 1 393.491 3.469 20 0 GGADMN Cc1c(-c2cc(CN(C[C@@H](O)COc3ccccc3)C(C)C)on2)cnn1C ZINC000277702716 1435323101 /nfs/dbraw/zinc/32/31/01/1435323101.db2.gz DKXFYHNOIGHYLC-QGZVFWFLSA-N 0 1 384.480 3.034 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277727265 1435324973 /nfs/dbraw/zinc/32/49/73/1435324973.db2.gz GCMHDAXLXUBHPJ-CHWSQXEVSA-N 0 1 397.479 3.043 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000277740401 1435325999 /nfs/dbraw/zinc/32/59/99/1435325999.db2.gz GXTLEODYFSPFAM-OLZOCXBDSA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCOc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277745422 1435326528 /nfs/dbraw/zinc/32/65/28/1435326528.db2.gz HICAUVPSMMURHW-GDBMZVCRSA-N 0 1 386.496 3.486 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCOc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277745427 1435326693 /nfs/dbraw/zinc/32/66/93/1435326693.db2.gz HICAUVPSMMURHW-GOEBONIOSA-N 0 1 386.496 3.486 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)cn1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000277791776 1435330859 /nfs/dbraw/zinc/33/08/59/1435330859.db2.gz SJERAJHNXHFJKA-LBPRGKRZSA-N 0 1 395.385 3.038 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)cn1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000277791773 1435330875 /nfs/dbraw/zinc/33/08/75/1435330875.db2.gz SJERAJHNXHFJKA-GFCCVEGCSA-N 0 1 395.385 3.038 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)n[nH]1 ZINC000277812402 1435332761 /nfs/dbraw/zinc/33/27/61/1435332761.db2.gz LFUXYPUYWQVYGJ-OUCADQQQSA-N 0 1 377.514 3.012 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)n[nH]1 ZINC000277812410 1435332861 /nfs/dbraw/zinc/33/28/61/1435332861.db2.gz LFUXYPUYWQVYGJ-SGMGOOAPSA-N 0 1 377.514 3.012 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277831829 1435334410 /nfs/dbraw/zinc/33/44/10/1435334410.db2.gz ROMKDNCGRMHJMY-CRAIPNDOSA-N 0 1 383.414 3.134 20 0 GGADMN CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)n1 ZINC000277848461 1435335835 /nfs/dbraw/zinc/33/58/35/1435335835.db2.gz SSJGLNCRRUPYAH-UHFFFAOYSA-N 0 1 397.504 3.485 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(NC(C)=O)c(F)c2)[nH]1 ZINC000277850291 1435336024 /nfs/dbraw/zinc/33/60/24/1435336024.db2.gz QTKADSBHOZTDNM-UHFFFAOYSA-N 0 1 390.415 3.279 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3csc(-c4ccc(Cl)cc4)n3)C[C@H]2CO)cn1 ZINC000277856389 1435336673 /nfs/dbraw/zinc/33/66/73/1435336673.db2.gz TXVKIVDTVCQFAH-YJBOKZPZSA-N 0 1 388.924 3.405 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000277860551 1435336840 /nfs/dbraw/zinc/33/68/40/1435336840.db2.gz OARRRRKUBXLVDC-MJVIPROJSA-N 0 1 384.402 3.118 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000277860552 1435336883 /nfs/dbraw/zinc/33/68/83/1435336883.db2.gz OARRRRKUBXLVDC-WDMOLILDSA-N 0 1 384.402 3.118 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000277860550 1435336893 /nfs/dbraw/zinc/33/68/93/1435336893.db2.gz OARRRRKUBXLVDC-MISXGVKJSA-N 0 1 384.402 3.118 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000277860699 1435337129 /nfs/dbraw/zinc/33/71/29/1435337129.db2.gz OCJJGPZSDUMSPO-STQMWFEESA-N 0 1 391.903 3.359 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000277860694 1435337144 /nfs/dbraw/zinc/33/71/44/1435337144.db2.gz OCJJGPZSDUMSPO-OLZOCXBDSA-N 0 1 391.903 3.359 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(CSc3nccn3C)o2)n[nH]1 ZINC000277891627 1435339730 /nfs/dbraw/zinc/33/97/30/1435339730.db2.gz PXXMYQDNSDOFHM-VXGBXAGGSA-N 0 1 388.497 3.428 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC(Oc2ncccc2F)CC1)c1cccs1 ZINC000277892926 1435339974 /nfs/dbraw/zinc/33/99/74/1435339974.db2.gz CFAOBPHYUXBVLB-MRXNPFEDSA-N 0 1 392.500 3.138 20 0 GGADMN C[C@H]1C(=O)N(c2ccc(NC(=O)CN3CCCCCCC3)cc2)C(=O)N1C1CC1 ZINC000277927304 1435343185 /nfs/dbraw/zinc/34/31/85/1435343185.db2.gz BJXWGNKRQGRSJC-INIZCTEOSA-N 0 1 398.507 3.211 20 0 GGADMN Cc1cnccc1OC1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000277929879 1435343255 /nfs/dbraw/zinc/34/32/55/1435343255.db2.gz FUJMBCDTHXTWBC-KRWDZBQOSA-N 0 1 388.537 3.307 20 0 GGADMN O=C(CN1CCCCCCC1)Nc1ccc(N2C(=O)[C@H]3CCCCN3C2=O)cc1 ZINC000277940709 1435344259 /nfs/dbraw/zinc/34/42/59/1435344259.db2.gz BZWSJSMALAOEBC-LJQANCHMSA-N 0 1 398.507 3.212 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc3c(n2)CCCC3)CC1 ZINC000277941257 1435344443 /nfs/dbraw/zinc/34/44/43/1435344443.db2.gz KDOHVYRXCHVFCB-QGZVFWFLSA-N 0 1 393.535 3.380 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2c(C)nc(SC)nc2C)n[nH]1 ZINC000277949681 1435345105 /nfs/dbraw/zinc/34/51/05/1435345105.db2.gz SYGXXGKSHURVML-GWCFXTLKSA-N 0 1 376.530 3.257 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n[nH]1 ZINC000277962745 1435346156 /nfs/dbraw/zinc/34/61/56/1435346156.db2.gz UMEJOTYXEWBXBZ-OLZOCXBDSA-N 0 1 382.468 3.167 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)n[nH]1 ZINC000277984554 1435347919 /nfs/dbraw/zinc/34/79/19/1435347919.db2.gz VYBKWZRCRSCLDN-SLEUVZQESA-N 0 1 388.493 3.217 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)n[nH]1 ZINC000277986658 1435348113 /nfs/dbraw/zinc/34/81/13/1435348113.db2.gz VZUABWULWMHANP-SCRDCRAPSA-N 0 1 399.524 3.169 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)n[nH]1 ZINC000278005790 1435349543 /nfs/dbraw/zinc/34/95/43/1435349543.db2.gz XCWNZBQKHAXOFN-UWVGGRQHSA-N 0 1 398.410 3.428 20 0 GGADMN COc1cccc(-c2cc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)[nH]n2)c1 ZINC000278005136 1435349605 /nfs/dbraw/zinc/34/96/05/1435349605.db2.gz IUOLYVYRXJILOG-KBXCAEBGSA-N 0 1 381.436 3.061 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000278008739 1435349849 /nfs/dbraw/zinc/34/98/49/1435349849.db2.gz XGLVIYCLMZNTFP-DMPWYTOCSA-N 0 1 397.523 3.438 20 0 GGADMN COc1ccc(Cc2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)c(F)c1 ZINC000278017213 1435350333 /nfs/dbraw/zinc/35/03/33/1435350333.db2.gz XZUQLJZCAFAOOW-UHFFFAOYSA-N 0 1 382.399 3.216 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)n[nH]1 ZINC000278016081 1435350469 /nfs/dbraw/zinc/35/04/69/1435350469.db2.gz XPDHFPQZCBLBDJ-QWRGUYRKSA-N 0 1 385.468 3.065 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CSc2nncn2-c2ccc(C)cc2)n[nH]1 ZINC000278037550 1435352761 /nfs/dbraw/zinc/35/27/61/1435352761.db2.gz ZARASWNCZCOUJH-KBPBESRZSA-N 0 1 399.524 3.177 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)n[nH]1 ZINC000278043661 1435353226 /nfs/dbraw/zinc/35/32/26/1435353226.db2.gz ZOOUFMSJKNBOAF-OZVIIMIRSA-N 0 1 391.903 3.416 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278067203 1435355848 /nfs/dbraw/zinc/35/58/48/1435355848.db2.gz GAFLWQNKFLPYRR-UHFFFAOYSA-N 0 1 396.413 3.279 20 0 GGADMN Cn1ncc2c1CCC[C@H]2NC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278104453 1435359954 /nfs/dbraw/zinc/35/99/54/1435359954.db2.gz ZAFGULJTVHUQNQ-DGCLKSJQSA-N 0 1 396.417 3.129 20 0 GGADMN COc1cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1OC(=O)C1CC1 ZINC000278116533 1435361220 /nfs/dbraw/zinc/36/12/20/1435361220.db2.gz AOEGPSSWIKVDSL-YOEHRIQHSA-N 0 1 387.398 3.146 20 0 GGADMN O=c1cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)occ1O ZINC000278174853 1435366258 /nfs/dbraw/zinc/36/62/58/1435366258.db2.gz BBYBEOXNBVJJRY-UHFFFAOYSA-N 0 1 385.338 3.040 20 0 GGADMN C[C@H]1C[C@H](NC(=O)c2sccc2CN(C)C)CCN1C(=O)OC(C)(C)C ZINC000278220753 1435370999 /nfs/dbraw/zinc/37/09/99/1435370999.db2.gz DTGCZOWHZLIFQW-DZGCQCFKSA-N 0 1 381.542 3.328 20 0 GGADMN O=C(Nc1cnn(CC(F)F)c1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278243321 1435372965 /nfs/dbraw/zinc/37/29/65/1435372965.db2.gz VDNDZDHQNVYNDA-SECBINFHSA-N 0 1 392.332 3.302 20 0 GGADMN CN(C)C(=O)C[C@H]1CN(C(=O)[C@](C)(N)c2ccccc2)c2ccc(Cl)cc21 ZINC000278247043 1435373261 /nfs/dbraw/zinc/37/32/61/1435373261.db2.gz MGVBBINHXSMJKB-LHSJRXKWSA-N 0 1 385.895 3.123 20 0 GGADMN O=C(NCc1ccc2c(n1)CCCC2)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000278266072 1435374690 /nfs/dbraw/zinc/37/46/90/1435374690.db2.gz ITJBGFPERNGQOW-UHFFFAOYSA-N 0 1 399.401 3.029 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1nnc[nH]1 ZINC000278282116 1435376099 /nfs/dbraw/zinc/37/60/99/1435376099.db2.gz BGWRTLSUFORJHZ-SSDOTTSWSA-N 0 1 379.289 3.350 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1nnc[nH]1 ZINC000278282120 1435376112 /nfs/dbraw/zinc/37/61/12/1435376112.db2.gz BGWRTLSUFORJHZ-ZETCQYMHSA-N 0 1 379.289 3.350 20 0 GGADMN Cc1cc(C(=O)CCC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(C)s1 ZINC000278285634 1435376229 /nfs/dbraw/zinc/37/62/29/1435376229.db2.gz AXVORAMHXVPOOJ-CQSZACIVSA-N 0 1 378.538 3.040 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278300795 1435377685 /nfs/dbraw/zinc/37/76/85/1435377685.db2.gz JWVVGUSLTIXOEK-UHFFFAOYSA-N 0 1 396.413 3.358 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NCCCNC(=O)OC(C)(C)C)n2)c1 ZINC000278313795 1435378703 /nfs/dbraw/zinc/37/87/03/1435378703.db2.gz FKJNDGOOCFNSIQ-CYBMUJFWSA-N 0 1 376.457 3.311 20 0 GGADMN O=C(CCN1CCC(Oc2ccc(F)nc2)CC1)c1ccc2c(c1)OCCO2 ZINC000278322122 1435379672 /nfs/dbraw/zinc/37/96/72/1435379672.db2.gz AIHWMEVOEHFYCV-UHFFFAOYSA-N 0 1 386.423 3.108 20 0 GGADMN COc1ccc(-c2cncc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)c2)cc1 ZINC000278324060 1435380102 /nfs/dbraw/zinc/38/01/02/1435380102.db2.gz FHDASJMKLUDJMN-QGZVFWFLSA-N 0 1 395.503 3.083 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000278323941 1435380118 /nfs/dbraw/zinc/38/01/18/1435380118.db2.gz FFXLGNNVPDPQBJ-QGZVFWFLSA-N 0 1 381.476 3.199 20 0 GGADMN Cc1cccc(-c2cncc(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)c2)c1 ZINC000278326865 1435380280 /nfs/dbraw/zinc/38/02/80/1435380280.db2.gz AVVUMVQYQNGZIJ-SFHVURJKSA-N 0 1 379.504 3.382 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000278329457 1435380384 /nfs/dbraw/zinc/38/03/84/1435380384.db2.gz LAMZJJVWCBCNPR-KRWDZBQOSA-N 0 1 389.459 3.277 20 0 GGADMN CCOc1c(Cl)cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1OC ZINC000278329170 1435380466 /nfs/dbraw/zinc/38/04/66/1435380466.db2.gz BABUBALCAVLJQH-AWEZNQCLSA-N 0 1 396.915 3.073 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NCCCNC(=O)OC(C)(C)C)n1 ZINC000278342405 1435381827 /nfs/dbraw/zinc/38/18/27/1435381827.db2.gz HUEAPUHRACDQLA-ZDUSSCGKSA-N 0 1 376.457 3.311 20 0 GGADMN COc1ccccc1-c1noc([C@@H](C)NCCCNC(=O)OC(C)(C)C)n1 ZINC000278342404 1435381866 /nfs/dbraw/zinc/38/18/66/1435381866.db2.gz HUEAPUHRACDQLA-CYBMUJFWSA-N 0 1 376.457 3.311 20 0 GGADMN COc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1-c1ccccn1 ZINC000278351369 1435382881 /nfs/dbraw/zinc/38/28/81/1435382881.db2.gz DGNHHJJFRJPISP-KRWDZBQOSA-N 0 1 395.503 3.083 20 0 GGADMN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000278350848 1435382909 /nfs/dbraw/zinc/38/29/09/1435382909.db2.gz ZQCMLUGDRBXQEG-HXUWFJFHSA-N 0 1 389.565 3.177 20 0 GGADMN Cc1nn(CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1-c1ccccc1 ZINC000278353387 1435383053 /nfs/dbraw/zinc/38/30/53/1435383053.db2.gz GROOQRRTEXJPIM-GOSISDBHSA-N 0 1 390.491 3.260 20 0 GGADMN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000278390513 1435386573 /nfs/dbraw/zinc/38/65/73/1435386573.db2.gz DWGAPHJRNXBOFC-AWEZNQCLSA-N 0 1 390.871 3.181 20 0 GGADMN CC(C)[C@@H]1CCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278409290 1435388418 /nfs/dbraw/zinc/38/84/18/1435388418.db2.gz GWONYGGTXBVUDA-PBHICJAKSA-N 0 1 376.501 3.395 20 0 GGADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CCOCC1)NCc1ccco1 ZINC000278414062 1435388860 /nfs/dbraw/zinc/38/88/60/1435388860.db2.gz YIQNWPSEYATTRU-UHFFFAOYSA-N 0 1 382.382 3.210 20 0 GGADMN CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278427399 1435390202 /nfs/dbraw/zinc/39/02/02/1435390202.db2.gz NSXPAWWLQIVKTJ-LBPRGKRZSA-N 0 1 397.445 3.236 20 0 GGADMN NC(=O)N1CCCc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc21 ZINC000278448490 1435391608 /nfs/dbraw/zinc/39/16/08/1435391608.db2.gz AARFJDATKWDRIV-LJQANCHMSA-N 0 1 378.476 3.121 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(NC2CCN(Cc3cccnc3)CC2)nn1 ZINC000278466393 1435393059 /nfs/dbraw/zinc/39/30/59/1435393059.db2.gz CBKNFLDCPOAOKT-UHFFFAOYSA-N 0 1 388.475 3.200 20 0 GGADMN Cc1cc2ncc(C(=O)N3CCC[C@H](c4ncc(C(F)(F)F)[nH]4)C3)c(C)n2n1 ZINC000278479000 1435393945 /nfs/dbraw/zinc/39/39/45/1435393945.db2.gz UVMZYPBAYZVUOC-LBPRGKRZSA-N 0 1 392.385 3.108 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000278483658 1435394183 /nfs/dbraw/zinc/39/41/83/1435394183.db2.gz LCHYQSDMZFLCRP-CQSZACIVSA-N 0 1 389.883 3.320 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)[C@H](C)C1 ZINC000278501515 1435395302 /nfs/dbraw/zinc/39/53/02/1435395302.db2.gz CURZFGJAYVFASM-SJORKVTESA-N 0 1 375.513 3.065 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278508135 1435395926 /nfs/dbraw/zinc/39/59/26/1435395926.db2.gz MKXXAQOSLFANAE-YVORESIASA-N 0 1 387.501 3.461 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278508129 1435395993 /nfs/dbraw/zinc/39/59/93/1435395993.db2.gz MKXXAQOSLFANAE-KUNJGFBQSA-N 0 1 387.501 3.461 20 0 GGADMN Cc1nc(-c2cccc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)c2)cs1 ZINC000278518877 1435396632 /nfs/dbraw/zinc/39/66/32/1435396632.db2.gz PYEZEDMBIDODMD-OAHLLOKOSA-N 0 1 385.533 3.444 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)[C@@H](C)C1 ZINC000278522696 1435397168 /nfs/dbraw/zinc/39/71/68/1435397168.db2.gz GVSHUNRQIQMAKF-OALUTQOASA-N 0 1 397.519 3.322 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)[C@H](C)C1 ZINC000278522700 1435397189 /nfs/dbraw/zinc/39/71/89/1435397189.db2.gz GVSHUNRQIQMAKF-RTBURBONSA-N 0 1 397.519 3.322 20 0 GGADMN COC(=O)c1cn(C2CCN(CCCc3c(F)cccc3Cl)CC2)nn1 ZINC000278530409 1435397667 /nfs/dbraw/zinc/39/76/67/1435397667.db2.gz UWXHXYQJVJJQMR-UHFFFAOYSA-N 0 1 380.851 3.127 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)c(C3CC3)c2)c1 ZINC000278535628 1435398140 /nfs/dbraw/zinc/39/81/40/1435398140.db2.gz ZLYSYCAOKMAZPC-UHFFFAOYSA-N 0 1 375.446 3.324 20 0 GGADMN O=C([C@@H]1CCCN1C1CC1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000278543432 1435398737 /nfs/dbraw/zinc/39/87/37/1435398737.db2.gz CVTXFQZMFHLJJT-YJBOKZPZSA-N 0 1 384.455 3.209 20 0 GGADMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000278544883 1435398812 /nfs/dbraw/zinc/39/88/12/1435398812.db2.gz KNCTUJMQVSJEEL-UHFFFAOYSA-N 0 1 396.459 3.263 20 0 GGADMN Cc1ccc(Cc2nc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)cs2)cc1 ZINC000278546641 1435399043 /nfs/dbraw/zinc/39/90/43/1435399043.db2.gz UNWNKJHPVQOOAE-QGZVFWFLSA-N 0 1 399.560 3.368 20 0 GGADMN CCN(C(C)=O)c1nc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC000278551798 1435399524 /nfs/dbraw/zinc/39/95/24/1435399524.db2.gz ZDZXIDFEZDFFGS-HIFRSBDPSA-N 0 1 396.557 3.394 20 0 GGADMN CCN(C(C)=O)c1nc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cs1 ZINC000278551801 1435399549 /nfs/dbraw/zinc/39/95/49/1435399549.db2.gz ZDZXIDFEZDFFGS-UKRRQHHQSA-N 0 1 396.557 3.394 20 0 GGADMN CCc1c(NC(=O)Cc2cccc(N3CCCC3=O)c2)[nH]nc1-c1ccncc1 ZINC000278585638 1435402439 /nfs/dbraw/zinc/40/24/39/1435402439.db2.gz HOZDYEJDMOPZTO-UHFFFAOYSA-N 0 1 389.459 3.342 20 0 GGADMN C[C@H](CC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C(=O)c1ccc(Cl)cc1 ZINC000278587992 1435402825 /nfs/dbraw/zinc/40/28/25/1435402825.db2.gz ZFWKQMBIYPRQLM-HZPDHXFCSA-N 0 1 392.927 3.261 20 0 GGADMN Cc1c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)noc1-c1ccccc1F ZINC000278598819 1435404061 /nfs/dbraw/zinc/40/40/61/1435404061.db2.gz AELOFZXBYFRUBL-CYBMUJFWSA-N 0 1 390.459 3.098 20 0 GGADMN CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)n1 ZINC000278607826 1435404822 /nfs/dbraw/zinc/40/48/22/1435404822.db2.gz JGOWQMLVSGWTTF-UHFFFAOYSA-N 0 1 387.465 3.078 20 0 GGADMN COc1ccc2nc(NC(=O)N3CCN(C4CCOCC4)C[C@H]3C)sc2c1 ZINC000278612481 1435405524 /nfs/dbraw/zinc/40/55/24/1435405524.db2.gz DBEFFTBVEZTFGC-CYBMUJFWSA-N 0 1 390.509 3.022 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)n[nH]1 ZINC000278644061 1435409195 /nfs/dbraw/zinc/40/91/95/1435409195.db2.gz GDNLADJFCLZEOX-SNVBAGLBSA-N 0 1 389.410 3.490 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(O[C@H]4CCOC4)cc3)C1)CCCC2 ZINC000278642907 1435409202 /nfs/dbraw/zinc/40/92/02/1435409202.db2.gz DZGYLFVCBGLSLL-QUCCMNQESA-N 0 1 395.503 3.325 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278669033 1435412151 /nfs/dbraw/zinc/41/21/51/1435412151.db2.gz NEJUYXBYLGLZKC-INIZCTEOSA-N 0 1 377.554 3.112 20 0 GGADMN CCCN(CC(F)F)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278668648 1435412162 /nfs/dbraw/zinc/41/21/62/1435412162.db2.gz NCVJRUOFBFDKEK-LBPRGKRZSA-N 0 1 386.443 3.251 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)n1 ZINC000278671178 1435412499 /nfs/dbraw/zinc/41/24/99/1435412499.db2.gz ORIYGUIAQQZZOT-UHFFFAOYSA-N 0 1 393.316 3.140 20 0 GGADMN COC(=O)c1coc([C@@H](C)NCCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000278673327 1435412742 /nfs/dbraw/zinc/41/27/42/1435412742.db2.gz JKAMVXBXSHTRIF-LLVKDONJSA-N 0 1 380.828 3.408 20 0 GGADMN COc1ccccc1-c1cccc(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000278678385 1435413461 /nfs/dbraw/zinc/41/34/61/1435413461.db2.gz RLVRAGRJKGPWII-SJORKVTESA-N 0 1 383.492 3.281 20 0 GGADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)c1ccccc1 ZINC000278679874 1435413580 /nfs/dbraw/zinc/41/35/80/1435413580.db2.gz KXXDGADADNAADA-LJQANCHMSA-N 0 1 399.516 3.088 20 0 GGADMN O=C(c1nc2cccnc2s1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000278695638 1435414779 /nfs/dbraw/zinc/41/47/79/1435414779.db2.gz PNXHVCGUDXLLPR-UHFFFAOYSA-N 0 1 390.472 3.496 20 0 GGADMN Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1OC(C)C ZINC000278711041 1435416096 /nfs/dbraw/zinc/41/60/96/1435416096.db2.gz QWQORDCLFHKGJY-QGZVFWFLSA-N 0 1 375.513 3.499 20 0 GGADMN Cc1nn(CC(=O)NC2CCN(Cc3cccnc3)CC2)cc1-c1ccccc1 ZINC000278723017 1435417344 /nfs/dbraw/zinc/41/73/44/1435417344.db2.gz XPYUDKIRNQOGKZ-UHFFFAOYSA-N 0 1 389.503 3.034 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C)nn2-c2cc(C)ccn2)n[nH]1 ZINC000278800227 1435424813 /nfs/dbraw/zinc/42/48/13/1435424813.db2.gz ZAUDECUHYXQMCW-GXTWGEPZSA-N 0 1 382.472 3.398 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000278851456 1435431080 /nfs/dbraw/zinc/43/10/80/1435431080.db2.gz WQKUZNOJMHPTKK-AWEZNQCLSA-N 0 1 396.274 3.039 20 0 GGADMN Cn1ccnc(N2CCC[C@H](N[C@@H]3CC4(CCCC4)Oc4ccccc43)C2)c1=O ZINC000278860873 1435432184 /nfs/dbraw/zinc/43/21/84/1435432184.db2.gz AXGNIFOSZAZDCS-PKOBYXMFSA-N 0 1 394.519 3.175 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N[C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1)c1ccccc1 ZINC000278865524 1435432835 /nfs/dbraw/zinc/43/28/35/1435432835.db2.gz FXOFUEHMMRXXHO-QAPCUYQASA-N 0 1 378.480 3.045 20 0 GGADMN CCN(C)[C@H](C(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccccc1 ZINC000278865524 1435432842 /nfs/dbraw/zinc/43/28/42/1435432842.db2.gz FXOFUEHMMRXXHO-QAPCUYQASA-N 0 1 378.480 3.045 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CSc1nc2ccccc2s1 ZINC000278878190 1435434306 /nfs/dbraw/zinc/43/43/06/1435434306.db2.gz OVDBYBZYWCVIBL-AWEZNQCLSA-N 0 1 391.562 3.100 20 0 GGADMN CN(CCCCCO)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000278881942 1435434831 /nfs/dbraw/zinc/43/48/31/1435434831.db2.gz NFSXHEFKNJLUMS-MRXNPFEDSA-N 0 1 375.494 3.113 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cc([C@H]3CCCO3)nn2C)N2CCCC2)o1 ZINC000278884325 1435435112 /nfs/dbraw/zinc/43/51/12/1435435112.db2.gz DOBBNAAIKPZLMQ-IAGOWNOFSA-N 0 1 387.484 3.132 20 0 GGADMN C[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1c[nH]c2ccccc21 ZINC000278884305 1435435187 /nfs/dbraw/zinc/43/51/87/1435435187.db2.gz WRPNYTXFMLPCAD-QGZVFWFLSA-N 0 1 391.519 3.125 20 0 GGADMN CCN(C(=O)c1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)ccc1Cl)C(C)C ZINC000278890589 1435436240 /nfs/dbraw/zinc/43/62/40/1435436240.db2.gz ITHOVIRAINCBMF-NSHDSACASA-N 0 1 378.864 3.211 20 0 GGADMN CCn1nccc1C1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000278891324 1435436244 /nfs/dbraw/zinc/43/62/44/1435436244.db2.gz OEPRQYIWNKSMEJ-VQIMIIECSA-N 0 1 382.508 3.111 20 0 GGADMN CCn1nccc1C1CCN([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000278891315 1435436281 /nfs/dbraw/zinc/43/62/81/1435436281.db2.gz OEPRQYIWNKSMEJ-LPHOPBHVSA-N 0 1 382.508 3.111 20 0 GGADMN CCn1nccc1C1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000278937817 1435442001 /nfs/dbraw/zinc/44/20/01/1435442001.db2.gz UDAHMACNSUPCRV-QGZVFWFLSA-N 0 1 393.535 3.311 20 0 GGADMN Cn1nc([C@@H]2CCCO2)cc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000278955016 1435444872 /nfs/dbraw/zinc/44/48/72/1435444872.db2.gz KBKDGTVDAUTBHE-IRXDYDNUSA-N 0 1 387.484 3.213 20 0 GGADMN O=C(c1csc(NC2CC2)n1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278965627 1435446552 /nfs/dbraw/zinc/44/65/52/1435446552.db2.gz ZVWASQIPHFEVEU-SECBINFHSA-N 0 1 385.415 3.479 20 0 GGADMN COC[C@H](NCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)[C@@H]1CCCO1 ZINC000279003625 1435451066 /nfs/dbraw/zinc/45/10/66/1435451066.db2.gz DBZUOYTXBYVEQZ-SFTDATJTSA-N 0 1 389.517 3.111 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)N(C)C)cc1 ZINC000279049281 1435455516 /nfs/dbraw/zinc/45/55/16/1435455516.db2.gz KGFVTULLNFUALK-KRWDZBQOSA-N 0 1 386.521 3.077 20 0 GGADMN CSCC[C@@H](C)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279092116 1435459663 /nfs/dbraw/zinc/45/96/63/1435459663.db2.gz TWNWHVFAGFZTIQ-KGLIPLIRSA-N 0 1 396.557 3.348 20 0 GGADMN Cc1ccnc(-c2nnc([C@H](C)NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)[n-]2)c1 ZINC000279123787 1435462496 /nfs/dbraw/zinc/46/24/96/1435462496.db2.gz XNKORGUKSXLUPP-QFBILLFUSA-N 0 1 390.491 3.017 20 0 GGADMN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@H]3CCCN3Cc3ccccc3)n2)c1 ZINC000279123787 1435462501 /nfs/dbraw/zinc/46/25/01/1435462501.db2.gz XNKORGUKSXLUPP-QFBILLFUSA-N 0 1 390.491 3.017 20 0 GGADMN Cc1ccnc(-c2nnc([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)[n-]2)c1 ZINC000279123777 1435462518 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CCn1nccc1C1CCN(Cc2c(C)nn(C)c2OCC(F)(F)F)CC1 ZINC000279341487 1435488646 /nfs/dbraw/zinc/48/86/46/1435488646.db2.gz FGDWSVXVJDREPV-UHFFFAOYSA-N 0 1 385.434 3.266 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279389527 1435493964 /nfs/dbraw/zinc/49/39/64/1435493964.db2.gz UFYJACJBYCPGFR-YWZLYKJASA-N 0 1 382.508 3.317 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279389523 1435494080 /nfs/dbraw/zinc/49/40/80/1435494080.db2.gz UFYJACJBYCPGFR-FOIQADDNSA-N 0 1 382.508 3.317 20 0 GGADMN CCc1csc(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)n1 ZINC000279397211 1435494971 /nfs/dbraw/zinc/49/49/71/1435494971.db2.gz JHVPJSMPZBSJEJ-AWEZNQCLSA-N 0 1 390.528 3.016 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000279418182 1435497049 /nfs/dbraw/zinc/49/70/49/1435497049.db2.gz MYBPGSYFFKOSEF-DNVCBOLYSA-N 0 1 398.482 3.444 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC000279418647 1435497109 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3.217 20 0 GGADMN C[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC2(CCOCC2)O1 ZINC000279767640 1435540438 /nfs/dbraw/zinc/54/04/38/1435540438.db2.gz MTQVVVONKAWKTD-CQSZACIVSA-N 0 1 377.872 3.202 20 0 GGADMN C[C@@H]1CN(CCc2nc(-c3cccc(Cl)c3)no2)CC2(CCOCC2)O1 ZINC000279767640 1435540440 /nfs/dbraw/zinc/54/04/40/1435540440.db2.gz MTQVVVONKAWKTD-CQSZACIVSA-N 0 1 377.872 3.202 20 0 GGADMN CN(CCc1ccccc1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279771881 1435540593 /nfs/dbraw/zinc/54/05/93/1435540593.db2.gz SJLFBTOISXXDPJ-KRWDZBQOSA-N 0 1 398.507 3.449 20 0 GGADMN C[C@H]1c2cccn2CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279796948 1435544544 /nfs/dbraw/zinc/54/45/44/1435544544.db2.gz VSIRHRLTKSRKPH-LSDHHAIUSA-N 0 1 399.495 3.153 20 0 GGADMN CSC[C@H]1CCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279814565 1435546843 /nfs/dbraw/zinc/54/68/43/1435546843.db2.gz JQDLWTVZEBBWMK-ZIAGYGMSSA-N 0 1 394.541 3.102 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc3nccnc3cc2F)N2CCCC2)cc1 ZINC000279829367 1435548254 /nfs/dbraw/zinc/54/82/54/1435548254.db2.gz YVVNVGRUKASHIL-NRFANRHFSA-N 0 1 394.450 3.344 20 0 GGADMN C[C@H](NC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCCCCO)c1ccccc1 ZINC000279835485 1435548978 /nfs/dbraw/zinc/54/89/78/1435548978.db2.gz ZZQITJYWNAQMNA-SFHVURJKSA-N 0 1 397.519 3.211 20 0 GGADMN C[C@H](NC(=O)c1ccccc1NC(=O)CN(C)CCCCCO)c1ccccc1 ZINC000279835485 1435548981 /nfs/dbraw/zinc/54/89/81/1435548981.db2.gz ZZQITJYWNAQMNA-SFHVURJKSA-N 0 1 397.519 3.211 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccnn2C(C)C)cc1 ZINC000279843054 1435550222 /nfs/dbraw/zinc/55/02/22/1435550222.db2.gz HQTAAKLHJHNWHI-MRXNPFEDSA-N 0 1 378.542 3.345 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC2(CCOCC2)O1 ZINC000279861873 1435553789 /nfs/dbraw/zinc/55/37/89/1435553789.db2.gz SQVMDTHSGXBGCD-CQSZACIVSA-N 0 1 386.414 3.304 20 0 GGADMN CCc1onc(-c2ccccc2)c1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000279860509 1435553939 /nfs/dbraw/zinc/55/39/39/1435553939.db2.gz IUZMUUJMHXLGOL-UHFFFAOYSA-N 0 1 383.492 3.088 20 0 GGADMN Clc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)c(-n2cncn2)c1 ZINC000279880741 1435557393 /nfs/dbraw/zinc/55/73/93/1435557393.db2.gz KDWGLHYBYQZFQH-UHFFFAOYSA-N 0 1 397.914 3.228 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@@](C)(O)CC3)n2)ccc1OC(F)F ZINC000279905383 1435560968 /nfs/dbraw/zinc/56/09/68/1435560968.db2.gz DSTRPVAXAUCFJF-GOSISDBHSA-N 0 1 383.395 3.084 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000279917908 1435562884 /nfs/dbraw/zinc/56/28/84/1435562884.db2.gz XDWCSTVZHYTJCE-LSDHHAIUSA-N 0 1 386.473 3.431 20 0 GGADMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000279917901 1435562982 /nfs/dbraw/zinc/56/29/82/1435562982.db2.gz XDWCSTVZHYTJCE-HUUCEWRRSA-N 0 1 386.473 3.431 20 0 GGADMN O=C1CCCN1Cc1ccccc1CNCc1ccnn1-c1ccc(F)cc1 ZINC000279920982 1435563726 /nfs/dbraw/zinc/56/37/26/1435563726.db2.gz MNDGMBBJUHRXHK-UHFFFAOYSA-N 0 1 378.451 3.424 20 0 GGADMN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000279935464 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394.518 3.349 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)s1 ZINC000280018425 1435577520 /nfs/dbraw/zinc/57/75/20/1435577520.db2.gz HDSUTGOJNVPLAD-CYBMUJFWSA-N 0 1 394.518 3.349 20 0 GGADMN C[C@H]1C(=O)CC[C@H]1CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000280022753 1435578245 /nfs/dbraw/zinc/57/82/45/1435578245.db2.gz FQOUEKRIOUVHSX-CVEARBPZSA-N 0 1 392.927 3.305 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000280022757 1435578307 /nfs/dbraw/zinc/57/83/07/1435578307.db2.gz FQOUEKRIOUVHSX-JKSUJKDBSA-N 0 1 392.927 3.305 20 0 GGADMN COc1cc2c(cc1OC)[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)CC2 ZINC000280044104 1435581964 /nfs/dbraw/zinc/58/19/64/1435581964.db2.gz JBBUKLHEBWBKCP-CYBMUJFWSA-N 0 1 380.366 3.337 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000280046287 1435582772 /nfs/dbraw/zinc/58/27/72/1435582772.db2.gz JHVBYYAJRDDGJP-UGSOOPFHSA-N 0 1 375.490 3.445 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)nn2C)ccc1OC(C)C 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ASUGMKOEUNSDCG-WMZOPIPTSA-N 0 1 387.446 3.255 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@](C)(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000280149175 1435600106 /nfs/dbraw/zinc/60/01/06/1435600106.db2.gz ASUGMKOEUNSDCG-SJLPKXTDSA-N 0 1 387.446 3.255 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc4cnccc43)cn2)C[C@H](C)O1 ZINC000280164755 1435602101 /nfs/dbraw/zinc/60/21/01/1435602101.db2.gz BGEGUECULXRAJP-GASCZTMLSA-N 0 1 398.488 3.044 20 0 GGADMN O=C(CCc1ccc(=O)[nH]c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000280165418 1435602291 /nfs/dbraw/zinc/60/22/91/1435602291.db2.gz IHVMOWIKHHOOJI-KRWDZBQOSA-N 0 1 383.496 3.292 20 0 GGADMN O=C(CCc1cnccn1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000280166748 1435602505 /nfs/dbraw/zinc/60/25/05/1435602505.db2.gz FSLNCGWQUNCZTE-UHFFFAOYSA-N 0 1 395.507 3.253 20 0 GGADMN C[C@]1(O)CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000280225374 1435613026 /nfs/dbraw/zinc/61/30/26/1435613026.db2.gz VUKUWCHZCPBXGB-FQEVSTJZSA-N 0 1 387.505 3.176 20 0 GGADMN C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000280229716 1435613460 /nfs/dbraw/zinc/61/34/60/1435613460.db2.gz JLIYYGBNHREGMR-AUUYWEPGSA-N 0 1 378.469 3.141 20 0 GGADMN O=C(NCCN1CC=CCC1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000280230252 1435614275 /nfs/dbraw/zinc/61/42/75/1435614275.db2.gz MBMHSGPFXJDJLC-UHFFFAOYSA-N 0 1 382.361 3.022 20 0 GGADMN Clc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c(-n2cncn2)c1 ZINC000280274653 1435623376 /nfs/dbraw/zinc/62/33/76/1435623376.db2.gz NMZRZMOLFXGZSU-IBGZPJMESA-N 0 1 390.915 3.471 20 0 GGADMN Cc1cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)ccc1-n1cncn1 ZINC000280290670 1435627549 /nfs/dbraw/zinc/62/75/49/1435627549.db2.gz OFFWQFQBPNLAGB-INIZCTEOSA-N 0 1 392.381 3.298 20 0 GGADMN Cc1cc(CN[C@H](CO)c2ccccc2OC(F)(F)F)ccc1-n1cncn1 ZINC000280290675 1435627930 /nfs/dbraw/zinc/62/79/30/1435627930.db2.gz OFFWQFQBPNLAGB-MRXNPFEDSA-N 0 1 392.381 3.298 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cc([C@H]2CCCOC2)nn1C)c1ccco1 ZINC000280294322 1435628451 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CC(C)n1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)n1 ZINC000280468778 1435665783 /nfs/dbraw/zinc/66/57/83/1435665783.db2.gz JCFMRYZJFODDBK-OAHLLOKOSA-N 0 1 388.491 3.238 20 0 GGADMN O=C(NCc1c(F)cc(F)c(F)c1F)NC1CCN(Cc2ccccn2)CC1 ZINC000280472165 1435666644 /nfs/dbraw/zinc/66/66/44/1435666644.db2.gz YVKSTTNILBDNBM-UHFFFAOYSA-N 0 1 396.388 3.102 20 0 GGADMN C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000280499945 1435670167 /nfs/dbraw/zinc/67/01/67/1435670167.db2.gz BEFAZLDYWVQCNE-NVXWUHKLSA-N 0 1 377.448 3.178 20 0 GGADMN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000280503248 1435670531 /nfs/dbraw/zinc/67/05/31/1435670531.db2.gz AEOXPNOUDVVPPN-QGZVFWFLSA-N 0 1 381.484 3.011 20 0 GGADMN Cc1cc2sc(NC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)nc2cc1F ZINC000280514915 1435672258 /nfs/dbraw/zinc/67/22/58/1435672258.db2.gz NOPSDPCTZAMZMK-ZDUSSCGKSA-N 0 1 392.500 3.461 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C[C@@]2(CCOC2)O1 ZINC000280515341 1435672374 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20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)CC1 ZINC000280662636 1435699814 /nfs/dbraw/zinc/69/98/14/1435699814.db2.gz XMVZOIAMYLCVLR-SHTZXODSSA-N 0 1 393.915 3.010 20 0 GGADMN O=C(NCc1c(F)cc(F)c(F)c1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000280672315 1435701585 /nfs/dbraw/zinc/70/15/85/1435701585.db2.gz FIMXHMZSZYNFLD-JTQLQIEISA-N 0 1 397.376 3.328 20 0 GGADMN C[C@H]1C[NH+](CCC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)C[C@H](C)O1 ZINC000280719547 1435709173 /nfs/dbraw/zinc/70/91/73/1435709173.db2.gz CAFMTZLFTBFRIY-KBPBESRZSA-N 0 1 382.451 3.022 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)c2ccc(F)cc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280724281 1435709882 /nfs/dbraw/zinc/70/98/82/1435709882.db2.gz FYXOSKRWHQORPK-FASAQXTFSA-N 0 1 383.460 3.071 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(N3CCOCC3)ccc2C)n[nH]1 ZINC000280729391 1435710666 /nfs/dbraw/zinc/71/06/66/1435710666.db2.gz KJPCEZOECCCMFO-HIFRSBDPSA-N 0 1 386.500 3.346 20 0 GGADMN CC(=O)c1ccccc1OCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280734888 1435711396 /nfs/dbraw/zinc/71/13/96/1435711396.db2.gz HHJSFBPEYDEKRZ-LAUBAEHRSA-N 0 1 389.517 3.340 20 0 GGADMN CC(=O)c1ccccc1OCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280734891 1435711405 /nfs/dbraw/zinc/71/14/05/1435711405.db2.gz HHJSFBPEYDEKRZ-UTKZUKDTSA-N 0 1 389.517 3.340 20 0 GGADMN CC(=O)c1ccccc1OCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280734881 1435711542 /nfs/dbraw/zinc/71/15/42/1435711542.db2.gz HHJSFBPEYDEKRZ-DYESRHJHSA-N 0 1 389.517 3.340 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3c(F)ccc(O)c3F)cc2)C[C@H](C)O1 ZINC000280750733 1435714239 /nfs/dbraw/zinc/71/42/39/1435714239.db2.gz KMFOYCOECZSWRS-KBPBESRZSA-N 0 1 390.430 3.210 20 0 GGADMN Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)NCCCc3cn[nH]c3C)c2)o1 ZINC000280769318 1435716940 /nfs/dbraw/zinc/71/69/40/1435716940.db2.gz PAWHSRGDQBXFPN-UHFFFAOYSA-N 0 1 380.448 3.282 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000280783904 1435720102 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O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000281649815 1435817079 /nfs/dbraw/zinc/81/70/79/1435817079.db2.gz WSJRWRBWIASEBB-QAQDUYKDSA-N 0 1 377.448 3.129 20 0 GGADMN CSc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000281650777 1435817121 /nfs/dbraw/zinc/81/71/21/1435817121.db2.gz JYBMJHIIXNBLBI-KBPBESRZSA-N 0 1 392.546 3.490 20 0 GGADMN CN1CC[C@@H](CNC(=O)Cc2ncccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000281661860 1435817522 /nfs/dbraw/zinc/81/75/22/1435817522.db2.gz SKTPRGCVRGKNOA-ORAYPTAESA-N 0 1 379.838 3.365 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000281674861 1435818027 /nfs/dbraw/zinc/81/80/27/1435818027.db2.gz BXGAXNYWPWXAMC-OAHLLOKOSA-N 0 1 399.495 3.239 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ncc(Cl)n1C ZINC000281691159 1435818522 /nfs/dbraw/zinc/81/85/22/1435818522.db2.gz NADUGZWTXLMOEF-CQSZACIVSA-N 0 1 375.904 3.181 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000281731503 1435819885 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GGADMN CSc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000281850596 1435824204 /nfs/dbraw/zinc/82/42/04/1435824204.db2.gz MEYDYCAKUPVINJ-KGLIPLIRSA-N 0 1 392.546 3.490 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](OC)C[C@H]1C)N1CCCCC1 ZINC000281861815 1435824684 /nfs/dbraw/zinc/82/46/84/1435824684.db2.gz OFTSKKZOQYDUAW-GGPKGHCWSA-N 0 1 389.540 3.431 20 0 GGADMN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000281871525 1435824923 /nfs/dbraw/zinc/82/49/23/1435824923.db2.gz CJCTXPVBVXIWAP-MRXNPFEDSA-N 0 1 394.880 3.059 20 0 GGADMN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)NC1CCN(Cc2ccncc2)CC1 ZINC000281884939 1435825542 /nfs/dbraw/zinc/82/55/42/1435825542.db2.gz UEHZXBOQINOZMS-UAPYVXQJSA-N 0 1 382.483 3.431 20 0 GGADMN COCCn1cc(CNCc2c(C)nn(Cc3ccccc3Cl)c2C)cn1 ZINC000281885934 1435825553 /nfs/dbraw/zinc/82/55/53/1435825553.db2.gz DMUSPKGGXZMXIL-UHFFFAOYSA-N 0 1 387.915 3.334 20 0 GGADMN CCOc1ccc([C@@H]2C[C@H]2NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000281890229 1435825670 /nfs/dbraw/zinc/82/56/70/1435825670.db2.gz UKZLSKMFIRCJIJ-FCHUYYIVSA-N 0 1 394.519 3.300 20 0 GGADMN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@H]1CCCc2cn[nH]c21 ZINC000281927896 1435827216 /nfs/dbraw/zinc/82/72/16/1435827216.db2.gz BBKRGNUFAVPGEU-HNNXBMFYSA-N 0 1 379.386 3.487 20 0 GGADMN CCOc1cc(CNCc2cnn(CCOC)c2)ccc1OCC(F)(F)F ZINC000281936075 1435827487 /nfs/dbraw/zinc/82/74/87/1435827487.db2.gz HSYPYWUZRZBAIE-UHFFFAOYSA-N 0 1 387.402 3.159 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000281946495 1435828013 /nfs/dbraw/zinc/82/80/13/1435828013.db2.gz JJMXQIXYYGQHPV-UHFFFAOYSA-N 0 1 389.452 3.253 20 0 GGADMN COCCn1cc(CNCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)cn1 ZINC000282005044 1435830652 /nfs/dbraw/zinc/83/06/52/1435830652.db2.gz MIRBUXDXVQREIT-UHFFFAOYSA-N 0 1 397.523 3.446 20 0 GGADMN O=C(NCCc1ccc2[nH]ccc2c1)NC1CCN(Cc2ccncc2)CC1 ZINC000282006041 1435830715 /nfs/dbraw/zinc/83/07/15/1435830715.db2.gz XTLVDHZFLMWJDD-UHFFFAOYSA-N 0 1 377.492 3.069 20 0 GGADMN CC[C@](O)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000282036671 1435831836 /nfs/dbraw/zinc/83/18/36/1435831836.db2.gz LFXJALBFWNHFEH-OAQYLSRUSA-N 0 1 387.911 3.113 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)n[nH]1 ZINC000282052602 1435832749 /nfs/dbraw/zinc/83/27/49/1435832749.db2.gz LUBFMTRHFRAXAM-QMMMGPOBSA-N 0 1 375.326 3.330 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000282051965 1435832786 /nfs/dbraw/zinc/83/27/86/1435832786.db2.gz ZLBIHZJMWAHPSE-BPUTZDHNSA-N 0 1 399.366 3.175 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CNCCC(=O)NC2CCCCC2)s1 ZINC000282066701 1435833211 /nfs/dbraw/zinc/83/32/11/1435833211.db2.gz QGDHMACDQQTYNO-UHFFFAOYSA-N 0 1 382.530 3.419 20 0 GGADMN Cc1c(-c2cc(CN3CCC(N4CCc5ccccc54)CC3)on2)cnn1C ZINC000282069622 1435833351 /nfs/dbraw/zinc/83/33/51/1435833351.db2.gz NEIOUAIGPWEVTL-UHFFFAOYSA-N 0 1 377.492 3.411 20 0 GGADMN CCSCCCNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000282085496 1435834050 /nfs/dbraw/zinc/83/40/50/1435834050.db2.gz IZZBVTWJOKMXDM-HNNXBMFYSA-N 0 1 377.554 3.245 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CNCCNC(=O)c2ccccc2F)s1 ZINC000282087075 1435834067 /nfs/dbraw/zinc/83/40/67/1435834067.db2.gz ROYJOCWZIOMLNT-UHFFFAOYSA-N 0 1 394.472 3.149 20 0 GGADMN O=C(c1ccccc1CCC(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282102623 1435834737 /nfs/dbraw/zinc/83/47/37/1435834737.db2.gz FAGCGWQWVGQHEP-INIZCTEOSA-N 0 1 384.442 3.366 20 0 GGADMN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)O1 ZINC000282108332 1435834991 /nfs/dbraw/zinc/83/49/91/1435834991.db2.gz JRXILOUHJWPDMD-XNJGSVPQSA-N 0 1 385.430 3.209 20 0 GGADMN C[C@@](O)(CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1)C(F)(F)F ZINC000282122699 1435835556 /nfs/dbraw/zinc/83/55/56/1435835556.db2.gz XXLUFZYDZLSSLJ-QMTHXVAHSA-N 0 1 396.335 3.241 20 0 GGADMN C[C@](O)(CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1)C(F)(F)F ZINC000282122701 1435835609 /nfs/dbraw/zinc/83/56/09/1435835609.db2.gz XXLUFZYDZLSSLJ-YGRLFVJLSA-N 0 1 396.335 3.241 20 0 GGADMN Cn1cc(CNCc2ccncc2OCC(F)(F)F)c(-c2ccncc2)n1 ZINC000282161039 1435836891 /nfs/dbraw/zinc/83/68/91/1435836891.db2.gz IMWNTTSVIVDPBN-UHFFFAOYSA-N 0 1 377.370 3.108 20 0 GGADMN Cc1cc(C(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000282166166 1435837047 /nfs/dbraw/zinc/83/70/47/1435837047.db2.gz UQMVIHSOJHJRPN-SJORKVTESA-N 0 1 384.480 3.099 20 0 GGADMN COCCOc1cncc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000282171189 1435837219 /nfs/dbraw/zinc/83/72/19/1435837219.db2.gz FAKBZBOPPSPWAF-LJQANCHMSA-N 0 1 380.448 3.269 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000282190410 1435837809 /nfs/dbraw/zinc/83/78/09/1435837809.db2.gz BYFXVXIDSYIRLB-QRQLOZEOSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000282190410 1435837810 /nfs/dbraw/zinc/83/78/10/1435837810.db2.gz BYFXVXIDSYIRLB-QRQLOZEOSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)[C@@H](C)C1 ZINC000282207209 1435838476 /nfs/dbraw/zinc/83/84/76/1435838476.db2.gz HFNXBQWJGZOXHQ-FUHWJXTLSA-N 0 1 382.932 3.050 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000282259307 1435840445 /nfs/dbraw/zinc/84/04/45/1435840445.db2.gz CPGSHFKYWLFJPN-AWEZNQCLSA-N 0 1 396.557 3.474 20 0 GGADMN O=C(c1ccccc1)N1CC[C@@H](CSc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000282314441 1435842675 /nfs/dbraw/zinc/84/26/75/1435842675.db2.gz YWHGZAJUWSGGQO-OAHLLOKOSA-N 0 1 399.516 3.318 20 0 GGADMN O=C(c1ccccc1)N1CC[C@H](CSc2nc(=O)cc([O-])n2C2CCCC2)C1 ZINC000282314439 1435842751 /nfs/dbraw/zinc/84/27/51/1435842751.db2.gz YWHGZAJUWSGGQO-HNNXBMFYSA-N 0 1 399.516 3.318 20 0 GGADMN Cc1cc([C@H](C)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nn1C ZINC000282320625 1435842998 /nfs/dbraw/zinc/84/29/98/1435842998.db2.gz UILSFBIQMVGPJG-KXBFYZLASA-N 0 1 396.457 3.471 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000282329069 1435843379 /nfs/dbraw/zinc/84/33/79/1435843379.db2.gz SUYCBUIQEWWLBC-INIZCTEOSA-N 0 1 377.554 3.223 20 0 GGADMN CO[C@H]1CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)[C@H](C)C1 ZINC000282367748 1435844715 /nfs/dbraw/zinc/84/47/15/1435844715.db2.gz NSABPGUPVZRTPZ-XLIONFOSSA-N 0 1 386.492 3.112 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282412184 1435846250 /nfs/dbraw/zinc/84/62/50/1435846250.db2.gz AVZMODDNUBCFEX-QGZVFWFLSA-N 0 1 385.464 3.108 20 0 GGADMN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000282428031 1435846832 /nfs/dbraw/zinc/84/68/32/1435846832.db2.gz FEDCDKAVTNUTGW-KRWDZBQOSA-N 0 1 375.513 3.440 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1OC(F)F ZINC000282430785 1435846960 /nfs/dbraw/zinc/84/69/60/1435846960.db2.gz FKGQMPMPELHJRJ-CVEARBPZSA-N 0 1 397.466 3.103 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1OC(F)F ZINC000282430791 1435846965 /nfs/dbraw/zinc/84/69/65/1435846965.db2.gz FKGQMPMPELHJRJ-HOTGVXAUSA-N 0 1 397.466 3.103 20 0 GGADMN COCCn1cc(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)cn1 ZINC000282442395 1435847339 /nfs/dbraw/zinc/84/73/39/1435847339.db2.gz DZGXISHYURQRIX-RBUKOAKNSA-N 0 1 386.496 3.330 20 0 GGADMN CC[C@](O)(C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1cccc(Cl)c1 ZINC000282469524 1435848384 /nfs/dbraw/zinc/84/83/84/1435848384.db2.gz LOJUYZYOEGIXFQ-GOSISDBHSA-N 0 1 397.880 3.076 20 0 GGADMN Cn1cc(Oc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1 ZINC000282472821 1435848591 /nfs/dbraw/zinc/84/85/91/1435848591.db2.gz BTARYBOCIFHSCU-SFHVURJKSA-N 0 1 380.448 3.372 20 0 GGADMN Cn1c2nnc(CN3[C@@H]4CC[C@H]3C[C@@H](c3ccccc3)C4)n2c2ccccc2c1=O ZINC000282494073 1435849210 /nfs/dbraw/zinc/84/92/10/1435849210.db2.gz QBVGRLAVMYVLSV-REPLKXPHSA-N 0 1 399.498 3.492 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(OCc3ccccn3)cc2)O1 ZINC000282498581 1435849237 /nfs/dbraw/zinc/84/92/37/1435849237.db2.gz QOSGINBBRVELCI-AEMJNJESSA-N 0 1 396.487 3.344 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1OC(F)F ZINC000282528771 1435850263 /nfs/dbraw/zinc/85/02/63/1435850263.db2.gz RJUSEAFHPONYEU-OAHLLOKOSA-N 0 1 383.439 3.173 20 0 GGADMN COCCCn1nccc1CNc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000282571609 1435852113 /nfs/dbraw/zinc/85/21/13/1435852113.db2.gz FKKMDSHFCTWIIP-UHFFFAOYSA-N 0 1 399.539 3.346 20 0 GGADMN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000282592851 1435852832 /nfs/dbraw/zinc/85/28/32/1435852832.db2.gz FEDCDKAVTNUTGW-QGZVFWFLSA-N 0 1 375.513 3.440 20 0 GGADMN CC[C@@]1(C)Oc2ccc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)cc2O1 ZINC000282602225 1435853322 /nfs/dbraw/zinc/85/33/22/1435853322.db2.gz CZOPBXGVVNKWAF-IERDGZPVSA-N 0 1 389.496 3.160 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)Nc3cccc(S(=O)(=O)C(F)F)c3)C2)n[nH]1 ZINC000282606076 1435853438 /nfs/dbraw/zinc/85/34/38/1435853438.db2.gz ZPEFJNRSSIQQFZ-GFCCVEGCSA-N 0 1 398.435 3.126 20 0 GGADMN O=C(c1ccccc1CCC(F)(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282638775 1435854735 /nfs/dbraw/zinc/85/47/35/1435854735.db2.gz FAGCGWQWVGQHEP-MRXNPFEDSA-N 0 1 384.442 3.366 20 0 GGADMN COCCCn1nccc1CNCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000282662840 1435855604 /nfs/dbraw/zinc/85/56/04/1435855604.db2.gz MYTHSPUFOCJMOI-UHFFFAOYSA-N 0 1 391.519 3.167 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)cc2)cs1 ZINC000282670160 1435855899 /nfs/dbraw/zinc/85/58/99/1435855899.db2.gz KKALVYQIUGKOMF-HNNXBMFYSA-N 0 1 385.533 3.444 20 0 GGADMN C[C@@H](CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000282672274 1435856001 /nfs/dbraw/zinc/85/60/01/1435856001.db2.gz MXWNCJGUMBTTQE-INIZCTEOSA-N 0 1 383.458 3.049 20 0 GGADMN CC(C)(COCc1ccccc1)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000282678665 1435856098 /nfs/dbraw/zinc/85/60/98/1435856098.db2.gz JOTIYPFMTMBBIM-UHFFFAOYSA-N 0 1 381.520 3.405 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282697051 1435856820 /nfs/dbraw/zinc/85/68/20/1435856820.db2.gz IYVKQQNPBHKUSC-DLBZAZTESA-N 0 1 377.554 3.223 20 0 GGADMN COCCOc1ccc(CN[C@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000282700965 1435857004 /nfs/dbraw/zinc/85/70/04/1435857004.db2.gz OWCXSUIKKHCQKP-JOCHJYFZSA-N 0 1 378.472 3.405 20 0 GGADMN CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccn(C(C)C)n3)c2C1 ZINC000282708125 1435857240 /nfs/dbraw/zinc/85/72/40/1435857240.db2.gz AIOPPKIPUSEWFP-OAHLLOKOSA-N 0 1 383.496 3.401 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3ccn(C(C)C)n3)c2C1 ZINC000282708125 1435857241 /nfs/dbraw/zinc/85/72/41/1435857241.db2.gz AIOPPKIPUSEWFP-OAHLLOKOSA-N 0 1 383.496 3.401 20 0 GGADMN C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)NCCF ZINC000282715250 1435857661 /nfs/dbraw/zinc/85/76/61/1435857661.db2.gz PXQBFKLYXPIRNI-OAHLLOKOSA-N 0 1 386.496 3.224 20 0 GGADMN Cc1nc2cccc(C(=O)N[C@H](c3ccc(C)cc3)[C@H](C)S(C)(=O)=O)c2[nH]1 ZINC000282718114 1435857706 /nfs/dbraw/zinc/85/77/06/1435857706.db2.gz HGWBBFVYNUTHOV-UGSOOPFHSA-N 0 1 385.489 3.084 20 0 GGADMN COCCCn1nccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000282740866 1435858583 /nfs/dbraw/zinc/85/85/83/1435858583.db2.gz FSSNNGNAMUIVOP-QGZVFWFLSA-N 0 1 399.470 3.488 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1cc(F)ccc1N1CCOCC1 ZINC000282764265 1435859433 /nfs/dbraw/zinc/85/94/33/1435859433.db2.gz WEGXYPZEBJHPKA-UHFFFAOYSA-N 0 1 395.482 3.150 20 0 GGADMN O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282766342 1435859503 /nfs/dbraw/zinc/85/95/03/1435859503.db2.gz PEFOGRHYZMDGHW-SFHVURJKSA-N 0 1 396.491 3.450 20 0 GGADMN COCCCn1nccc1CN[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000282778077 1435860006 /nfs/dbraw/zinc/86/00/06/1435860006.db2.gz XMHJTTSLQBGAJK-QFIPXVFZSA-N 0 1 392.503 3.259 20 0 GGADMN Cc1cc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cnc1Cl ZINC000282782775 1435860229 /nfs/dbraw/zinc/86/02/29/1435860229.db2.gz KZAJNHDPMIOTQD-OAHLLOKOSA-N 0 1 395.290 3.054 20 0 GGADMN O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@@H]1CCCN1Cc1ccccc1 ZINC000282801450 1435860897 /nfs/dbraw/zinc/86/08/97/1435860897.db2.gz MTYZTGWETVIUSG-RTWAWAEBSA-N 0 1 392.503 3.074 20 0 GGADMN O=S(=O)(CCNCc1c(C2CC2)nc2sccn12)CCc1ccccc1 ZINC000282806568 1435861150 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CCn1ncc2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)c(C)nc21 ZINC000282938421 1435866892 /nfs/dbraw/zinc/86/68/92/1435866892.db2.gz GQPDLIRZRRFVQQ-QGZVFWFLSA-N 0 1 383.521 3.388 20 0 GGADMN COC(=O)Cc1occc1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000282946087 1435867270 /nfs/dbraw/zinc/86/72/70/1435867270.db2.gz HOYOAWKAYWRSKF-UHFFFAOYSA-N 0 1 388.489 3.105 20 0 GGADMN COc1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)c(OC)c1OC ZINC000282953491 1435867419 /nfs/dbraw/zinc/86/74/19/1435867419.db2.gz JWYXQPDNJYMWEX-KRWDZBQOSA-N 0 1 385.464 3.108 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccccc2Oc2cnn(C)c2)N(C)C)c1 ZINC000282956349 1435867550 /nfs/dbraw/zinc/86/75/50/1435867550.db2.gz UKCJDGZLAVLTCH-FQEVSTJZSA-N 0 1 394.475 3.254 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccccc2Oc2cnn(C)c2)N(C)C)c1 ZINC000282956351 1435867618 /nfs/dbraw/zinc/86/76/18/1435867618.db2.gz UKCJDGZLAVLTCH-HXUWFJFHSA-N 0 1 394.475 3.254 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000282958635 1435867698 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GGADMN Cn1cccc1-c1nnc(N2CCN(C3CCC3)CC2)n1Cc1cccs1 ZINC000283047044 1435871991 /nfs/dbraw/zinc/87/19/91/1435871991.db2.gz QVFKMNBKYYLXMW-UHFFFAOYSA-N 0 1 382.537 3.068 20 0 GGADMN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000283065244 1435872884 /nfs/dbraw/zinc/87/28/84/1435872884.db2.gz CSWAXWWCBFQODW-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](OC)C[C@@H]2C)N2CCCCC2)cc1 ZINC000283069197 1435873014 /nfs/dbraw/zinc/87/30/14/1435873014.db2.gz SQDSRHQSVGBWOE-YYWHXJBOSA-N 0 1 389.540 3.431 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1ccccc1S[C@H](C)C(N)=O)c1ccco1 ZINC000283079978 1435873452 /nfs/dbraw/zinc/87/34/52/1435873452.db2.gz DODVSAAULMDNKS-GDBMZVCRSA-N 0 1 389.521 3.058 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccccc1S[C@@H](C)C(N)=O)c1ccco1 ZINC000283079986 1435873478 /nfs/dbraw/zinc/87/34/78/1435873478.db2.gz DODVSAAULMDNKS-HOCLYGCPSA-N 0 1 389.521 3.058 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ncnn2C(C)(C)C)CC1 ZINC000283093323 1435874074 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3.228 20 0 GGADMN CCOC(=O)[C@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000283186370 1435878357 /nfs/dbraw/zinc/87/83/57/1435878357.db2.gz KGMWUOLZNXCRNU-PMACEKPBSA-N 0 1 387.501 3.232 20 0 GGADMN CCOC(=O)[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000283186382 1435878417 /nfs/dbraw/zinc/87/84/17/1435878417.db2.gz KGMWUOLZNXCRNU-WOJBJXKFSA-N 0 1 387.501 3.232 20 0 GGADMN C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C)c1cc2ccccc2o1 ZINC000283200453 1435879076 /nfs/dbraw/zinc/87/90/76/1435879076.db2.gz AZJOHPUXPJQLHL-HIFRSBDPSA-N 0 1 385.489 3.091 20 0 GGADMN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cccc3[nH]c(C)nc32)n1 ZINC000283203350 1435879203 /nfs/dbraw/zinc/87/92/03/1435879203.db2.gz REZJHQDDJYMLGZ-OAHLLOKOSA-N 0 1 384.461 3.482 20 0 GGADMN C[C@@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1nc(Cc2ccccc2)no1 ZINC000283203752 1435879208 /nfs/dbraw/zinc/87/92/08/1435879208.db2.gz RMTNBYMLXUGMDW-MJGOQNOKSA-N 0 1 390.487 3.473 20 0 GGADMN C[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1nc(Cc2ccccc2)no1 ZINC000283203756 1435879226 /nfs/dbraw/zinc/87/92/26/1435879226.db2.gz RMTNBYMLXUGMDW-PKOBYXMFSA-N 0 1 390.487 3.473 20 0 GGADMN Cc1cc(=O)c(C(=O)N2CCCN(CCCc3ccccc3)CC2)cn1C1CC1 ZINC000283209314 1435879404 /nfs/dbraw/zinc/87/94/04/1435879404.db2.gz XJHPIQUQCBFCML-UHFFFAOYSA-N 0 1 393.531 3.272 20 0 GGADMN CC1CCN(Cc2ccc(NC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2)CC1 ZINC000283322802 1435884417 /nfs/dbraw/zinc/88/44/17/1435884417.db2.gz FEFRIKBEIXGRSI-UHFFFAOYSA-N 0 1 378.538 3.213 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1nnc(C(C)C)s1 ZINC000283339955 1435885040 /nfs/dbraw/zinc/88/50/40/1435885040.db2.gz HQTGAVASQJWFCE-INIZCTEOSA-N 0 1 388.537 3.494 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)[nH]1 ZINC000283361332 1435886040 /nfs/dbraw/zinc/88/60/40/1435886040.db2.gz DEZQMYYFDCUCFV-UHFFFAOYSA-N 0 1 376.460 3.168 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)[nH]1 ZINC000283378012 1435886812 /nfs/dbraw/zinc/88/68/12/1435886812.db2.gz FNCLMOFAYJGYBS-UHFFFAOYSA-N 0 1 377.448 3.298 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c2[nH]1 ZINC000283392617 1435887580 /nfs/dbraw/zinc/88/75/80/1435887580.db2.gz GPYAWPABKXSUJA-RYUDHWBXSA-N 0 1 385.493 3.189 20 0 GGADMN CSCC[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)c1nnc2ccccn21 ZINC000283404395 1435888332 /nfs/dbraw/zinc/88/83/32/1435888332.db2.gz HJMFUFNGBFNMTI-OAHLLOKOSA-N 0 1 380.477 3.138 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)n[nH]1 ZINC000283436709 1435889799 /nfs/dbraw/zinc/88/97/99/1435889799.db2.gz JRPYKXFARMHQEK-BDAKNGLRSA-N 0 1 381.383 3.266 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)n[nH]1 ZINC000283436715 1435889842 /nfs/dbraw/zinc/88/98/42/1435889842.db2.gz JRPYKXFARMHQEK-DTWKUNHWSA-N 0 1 381.383 3.266 20 0 GGADMN Cc1c([C@H](C)NC[C@H]2CCC3(CCOCC3)[C@H]2O)nnn1-c1ccc(C)cc1 ZINC000283454833 1435890621 /nfs/dbraw/zinc/89/06/21/1435890621.db2.gz UWWGEOQVXTWDDK-CDXJDZJCSA-N 0 1 384.524 3.102 20 0 GGADMN CCOC(=O)c1cc2cc(C(=O)N3CCC[C@H](c4cc(C)[nH]n4)C3)ccc2[nH]1 ZINC000283454382 1435890648 /nfs/dbraw/zinc/89/06/48/1435890648.db2.gz HPDWOHYDKSLFIT-HNNXBMFYSA-N 0 1 380.448 3.396 20 0 GGADMN O=C(Nc1ccc(OC(F)F)cc1F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000283535201 1435894275 /nfs/dbraw/zinc/89/42/75/1435894275.db2.gz RREXFDYAGSMNJS-ZDUSSCGKSA-N 0 1 387.402 3.003 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccccc2SC)CC1 ZINC000283576066 1435896250 /nfs/dbraw/zinc/89/62/50/1435896250.db2.gz QUHOFQBKRIJYAI-HUUCEWRRSA-N 0 1 378.538 3.249 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(N)=O ZINC000283603768 1435897413 /nfs/dbraw/zinc/89/74/13/1435897413.db2.gz MTMWHLDMHXWRCZ-AEFFLSMTSA-N 0 1 397.544 3.047 20 0 GGADMN Cc1nc2cccc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2[nH]1 ZINC000283606825 1435897632 /nfs/dbraw/zinc/89/76/32/1435897632.db2.gz YYQDOUIVHXVDBI-UHFFFAOYSA-N 0 1 376.460 3.427 20 0 GGADMN C[C@H](c1cccs1)N(C)C(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000283624757 1435898407 /nfs/dbraw/zinc/89/84/07/1435898407.db2.gz XTECRJGCWZFXNY-HUUCEWRRSA-N 0 1 391.562 3.282 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000283632744 1435898703 /nfs/dbraw/zinc/89/87/03/1435898703.db2.gz VXBZTSOREPCVIH-SJORKVTESA-N 0 1 377.554 3.223 20 0 GGADMN CSc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000283632741 1435898720 /nfs/dbraw/zinc/89/87/20/1435898720.db2.gz VXBZTSOREPCVIH-IRXDYDNUSA-N 0 1 377.554 3.223 20 0 GGADMN Cc1cccc(NC(=O)CN(C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)c1C ZINC000283646800 1435899264 /nfs/dbraw/zinc/89/92/64/1435899264.db2.gz SWZWIYZPPFOYQH-IBGZPJMESA-N 0 1 379.504 3.336 20 0 GGADMN Cc1cccc(NC(=O)CN(C)C[C@H]2CCN(C(=O)c3ccccc3)C2)c1C ZINC000283646805 1435899291 /nfs/dbraw/zinc/89/92/91/1435899291.db2.gz SWZWIYZPPFOYQH-LJQANCHMSA-N 0 1 379.504 3.336 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)C2)n[nH]1 ZINC000283651450 1435899446 /nfs/dbraw/zinc/89/94/46/1435899446.db2.gz OINLHYAHIUWSJY-DKSSEZFCSA-N 0 1 390.434 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JLHBMJZAAVOVFL-UHFFFAOYSA-N 0 1 396.896 3.468 20 0 GGADMN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc4cncn4c3)c12 ZINC000283820941 1435930110 /nfs/dbraw/zinc/93/01/10/1435930110.db2.gz DLJMNOKGIDHMJZ-KRWDZBQOSA-N 0 1 390.447 3.127 20 0 GGADMN CCOc1cc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc(Cl)c1O ZINC000283919669 1435952522 /nfs/dbraw/zinc/95/25/22/1435952522.db2.gz HBDXMLQISAXSEG-RHSMWYFYSA-N 0 1 379.888 3.123 20 0 GGADMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000283923861 1435954150 /nfs/dbraw/zinc/95/41/50/1435954150.db2.gz PXKPGZRHNPVGKF-UHFFFAOYSA-N 0 1 396.896 3.468 20 0 GGADMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000283937306 1435956905 /nfs/dbraw/zinc/95/69/05/1435956905.db2.gz QQCLVLVUDFRELJ-UHFFFAOYSA-N 0 1 396.896 3.468 20 0 GGADMN COc1ccc(CN(CC2CCC2)C[C@H]2CCCS(=O)(=O)C2)c(OC)c1 ZINC000283942963 1435957942 /nfs/dbraw/zinc/95/79/42/1435957942.db2.gz AGBXREWMDNTMCD-QGZVFWFLSA-N 0 1 381.538 3.131 20 0 GGADMN Cc1nc2cccc(C(=O)NC3CCN(C(=O)c4ccc(C)cc4)CC3)c2[nH]1 ZINC000283951613 1435959686 /nfs/dbraw/zinc/95/96/86/1435959686.db2.gz LIFOVIUQRYGRKJ-UHFFFAOYSA-N 0 1 376.460 3.214 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc4cncn4c3)C2)cc1 ZINC000283966209 1435963071 /nfs/dbraw/zinc/96/30/71/1435963071.db2.gz OFXQMSSSNUONMG-QGZVFWFLSA-N 0 1 391.475 3.317 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)[nH]1 ZINC000283969285 1435963919 /nfs/dbraw/zinc/96/39/19/1435963919.db2.gz MEXYUSNBMRTSCZ-HNNXBMFYSA-N 0 1 381.411 3.047 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000283976879 1435965311 /nfs/dbraw/zinc/96/53/11/1435965311.db2.gz CPRRKOQYBFZUAE-ZIAGYGMSSA-N 0 1 378.469 3.297 20 0 GGADMN O=S1(=O)CCC[C@@H](CN(CCCO)C(c2ccccc2)c2ccccc2)C1 ZINC000283979418 1435966775 /nfs/dbraw/zinc/96/67/75/1435966775.db2.gz FPUNFLJJOFBFQK-IBGZPJMESA-N 0 1 387.545 3.285 20 0 GGADMN O=C(C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000284012660 1435972632 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COCOc1ccc(OC)cc1CNc1ccc(Cl)c(CN(C)CCO)c1 ZINC000284181167 1436002145 /nfs/dbraw/zinc/00/21/45/1436002145.db2.gz VTGWWTKBXGDAQE-UHFFFAOYSA-N 0 1 394.899 3.368 20 0 GGADMN O=S1(=O)CCC[C@H](CN(CCc2ccccn2)Cc2ccc(F)cc2)C1 ZINC000284181671 1436002195 /nfs/dbraw/zinc/00/21/95/1436002195.db2.gz RHIHBVFJGFZYAW-GOSISDBHSA-N 0 1 376.497 3.090 20 0 GGADMN COc1ccc([C@@H](CN(C)C)NCc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000284184915 1436002306 /nfs/dbraw/zinc/00/23/06/1436002306.db2.gz XWFVTYRJAQHKJT-LJQANCHMSA-N 0 1 388.537 3.060 20 0 GGADMN C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cn[nH]c1 ZINC000284191421 1436002928 /nfs/dbraw/zinc/00/29/28/1436002928.db2.gz RRDGRWLGCRFUMV-INIZCTEOSA-N 0 1 380.471 3.121 20 0 GGADMN COCCO[C@@H]1C[C@H](CO)CN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284256726 1436007808 /nfs/dbraw/zinc/00/78/08/1436007808.db2.gz GBJHASDRKCLQKD-WMLDXEAASA-N 0 1 396.940 3.309 20 0 GGADMN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284256721 1436007850 /nfs/dbraw/zinc/00/78/50/1436007850.db2.gz GBJHASDRKCLQKD-RHSMWYFYSA-N 0 1 396.940 3.309 20 0 GGADMN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000284276025 1436009314 /nfs/dbraw/zinc/00/93/14/1436009314.db2.gz HDWBWNBUTIXDJK-AUUYWEPGSA-N 0 1 394.512 3.191 20 0 GGADMN CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc3cncn3c2)c2ccc(Cl)cc21 ZINC000284305260 1436011525 /nfs/dbraw/zinc/01/15/25/1436011525.db2.gz JSLFFJYQDMBBFU-CQSZACIVSA-N 0 1 382.851 3.210 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3cnc(OC)c(Cl)c3)C2=O)cc1 ZINC000284305812 1436011889 /nfs/dbraw/zinc/01/18/89/1436011889.db2.gz KZQDKEYUERXXOW-ACJLOTCBSA-N 0 1 389.883 3.204 20 0 GGADMN COc1cnc2ccccc2c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000284313432 1436012374 /nfs/dbraw/zinc/01/23/74/1436012374.db2.gz HLIJYBOWUSFZHW-AWEZNQCLSA-N 0 1 377.448 3.259 20 0 GGADMN CC(C)(C)c1ncc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cn1 ZINC000284376209 1436016915 /nfs/dbraw/zinc/01/69/15/1436016915.db2.gz OAIXIOUSRDFUPI-UHFFFAOYSA-N 0 1 384.499 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CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2sc(-c3cccs3)nc2C)C1 ZINC000284490318 1436025597 /nfs/dbraw/zinc/02/55/97/1436025597.db2.gz BTLRPXVSSZDWHU-NEPJUHHUSA-N 0 1 389.506 3.209 20 0 GGADMN CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000284496944 1436026275 /nfs/dbraw/zinc/02/62/75/1436026275.db2.gz UTHYHPAQXNJKFJ-QGZVFWFLSA-N 0 1 392.507 3.252 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)CC(=O)N1C ZINC000284500326 1436026519 /nfs/dbraw/zinc/02/65/19/1436026519.db2.gz KILDKMAFVAZDQB-CZUORRHYSA-N 0 1 386.805 3.154 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000284506817 1436026802 /nfs/dbraw/zinc/02/68/02/1436026802.db2.gz DFDZDRYMXIXMCS-LESCRADOSA-N 0 1 386.496 3.301 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cccc(-c3csc(C)n3)c2)C1 ZINC000284504475 1436026843 /nfs/dbraw/zinc/02/68/43/1436026843.db2.gz DACNZBWAWNOOBG-WBVHZDCISA-N 0 1 383.477 3.147 20 0 GGADMN COc1cc(OC)cc(N2CCCN(C(=O)c3cccc4[nH]c(C)nc43)CC2)c1 ZINC000284512004 1436027137 /nfs/dbraw/zinc/02/71/37/1436027137.db2.gz VROVVZUIDSRMBF-UHFFFAOYSA-N 0 1 394.475 3.241 20 0 GGADMN CC(C)(C)c1ncc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1 ZINC000284512909 1436027159 /nfs/dbraw/zinc/02/71/59/1436027159.db2.gz YOYMVRJHBPKFOF-SFHVURJKSA-N 0 1 388.462 3.333 20 0 GGADMN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC(=O)c2ccccc21 ZINC000284514492 1436027461 /nfs/dbraw/zinc/02/74/61/1436027461.db2.gz BDLZSKLILXNWBU-UGKGYDQZSA-N 0 1 392.499 3.154 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc3[nH]ccc3c2)CCCN1C1CC1 ZINC000284529020 1436028300 /nfs/dbraw/zinc/02/83/00/1436028300.db2.gz GFKAKXKRIRILEL-LAUBAEHRSA-N 0 1 377.492 3.247 20 0 GGADMN COc1cc(NC2CCN(C(=O)c3ccc4cncn4c3)CC2)cc(OC)c1 ZINC000284547385 1436029461 /nfs/dbraw/zinc/02/94/61/1436029461.db2.gz BEDWOKWGBLIHJM-UHFFFAOYSA-N 0 1 380.448 3.068 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)n(Cc3ccccc3)c2C)C1 ZINC000284578517 1436031759 /nfs/dbraw/zinc/03/17/59/1436031759.db2.gz KVJPQMKGEQSPAS-QUCCMNQESA-N 0 1 393.491 3.182 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(C)c(OC(F)F)c2)C1 ZINC000284581262 1436031969 /nfs/dbraw/zinc/03/19/69/1436031969.db2.gz LHDHZKWAMFGBIL-OLZOCXBDSA-N 0 1 381.383 3.017 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)C1 ZINC000284585601 1436032189 /nfs/dbraw/zinc/03/21/89/1436032189.db2.gz LMYKZKFGPMFUKD-XWIAVFTESA-N 0 1 384.480 3.044 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000284583602 1436032200 /nfs/dbraw/zinc/03/22/00/1436032200.db2.gz LJWRQOZFZYNOGX-AMFBXLIHSA-N 0 1 399.278 3.176 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cccc(COCCc2ccccc2)c1 ZINC000284614418 1436034660 /nfs/dbraw/zinc/03/46/60/1436034660.db2.gz KOJSVOUTJUFQBA-UHFFFAOYSA-N 0 1 379.464 3.318 20 0 GGADMN Cc1noc([C@H]2CN(C(=O)c3cc(Cl)c4ccccc4c3O)CCN2C)n1 ZINC000284614342 1436034698 /nfs/dbraw/zinc/03/46/98/1436034698.db2.gz KNWBXTVKDGMFBH-MRXNPFEDSA-N 0 1 386.839 3.019 20 0 GGADMN CC(C)c1cc(NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)no1 ZINC000284614891 1436034774 /nfs/dbraw/zinc/03/47/74/1436034774.db2.gz ONWKIPPCYQBSQQ-IFXJQAMLSA-N 0 1 386.500 3.269 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)NC[C@@H](C)c2ccc(F)cc2)C1 ZINC000284615400 1436034834 /nfs/dbraw/zinc/03/48/34/1436034834.db2.gz BKMXKRQCPZLEAL-JLZZUVOBSA-N 0 1 387.459 3.096 20 0 GGADMN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)NCCCc1nc[nH]n1 ZINC000284618568 1436035008 /nfs/dbraw/zinc/03/50/08/1436035008.db2.gz OTWRLUHNAOQPPG-UHFFFAOYSA-N 0 1 381.484 3.351 20 0 GGADMN CO[C@H]1C[C@@H](CN(C)C(=O)c2c(C)onc2-c2c(F)cccc2Cl)N(C)C1 ZINC000284623376 1436035294 /nfs/dbraw/zinc/03/52/94/1436035294.db2.gz CARCPGMNGMBTSY-STQMWFEESA-N 0 1 395.862 3.234 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)C1 ZINC000284629563 1436035843 /nfs/dbraw/zinc/03/58/43/1436035843.db2.gz CNGZWAACTLZBQV-HIFRSBDPSA-N 0 1 399.455 3.144 20 0 GGADMN Cc1ccc(-c2cc(CN3CCC[C@](O)(c4cn(C(C)C)nn4)C3)on2)cc1 ZINC000284632775 1436036162 /nfs/dbraw/zinc/03/61/62/1436036162.db2.gz NHRKRBNHFJXQIS-OAQYLSRUSA-N 0 1 381.480 3.306 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000284633979 1436036301 /nfs/dbraw/zinc/03/63/01/1436036301.db2.gz QQHCZDULPNSDGD-IUPBHXKESA-N 0 1 399.278 3.176 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cccc3cccnc32)CCCN1C1CC1 ZINC000284638079 1436036424 /nfs/dbraw/zinc/03/64/24/1436036424.db2.gz RHGYYDYQBSLCFV-HTAPYJJXSA-N 0 1 389.503 3.314 20 0 GGADMN CC(C)(C)c1cc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)n(Cc2ccccc2)n1 ZINC000284647025 1436037081 /nfs/dbraw/zinc/03/70/81/1436037081.db2.gz NBMSKOGHHFIEJC-OAHLLOKOSA-N 0 1 378.480 3.091 20 0 GGADMN CC(C)(C)c1cc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)n(Cc2ccccc2)n1 ZINC000284647025 1436037086 /nfs/dbraw/zinc/03/70/86/1436037086.db2.gz NBMSKOGHHFIEJC-OAHLLOKOSA-N 0 1 378.480 3.091 20 0 GGADMN CC(=O)c1cccc(NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284652406 1436037546 /nfs/dbraw/zinc/03/75/46/1436037546.db2.gz GIHLTJKVOGHEMU-LAUBAEHRSA-N 0 1 395.507 3.360 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000284656000 1436038043 /nfs/dbraw/zinc/03/80/43/1436038043.db2.gz VSQDMEFOHUGTJO-RISCZKNCSA-N 0 1 379.823 3.469 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)o1 ZINC000284664116 1436038683 /nfs/dbraw/zinc/03/86/83/1436038683.db2.gz DKNKQDQDGAVRDM-TWOQFEAHSA-N 0 1 385.512 3.297 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000284684267 1436040138 /nfs/dbraw/zinc/04/01/38/1436040138.db2.gz WWIFLZJAMKSEFH-KOLCDFICSA-N 0 1 393.856 3.085 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000284690614 1436040675 /nfs/dbraw/zinc/04/06/75/1436040675.db2.gz XSGXOXQBULNICP-MFKMUULPSA-N 0 1 388.777 3.388 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000284701620 1436041171 /nfs/dbraw/zinc/04/11/71/1436041171.db2.gz ICJRNLVXFQQTJW-HOTGVXAUSA-N 0 1 386.517 3.109 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000284703404 1436041511 /nfs/dbraw/zinc/04/15/11/1436041511.db2.gz IEWXWEMZAFPUTK-JKSUJKDBSA-N 0 1 380.554 3.216 20 0 GGADMN COc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c(OC)c1OC ZINC000284705928 1436041709 /nfs/dbraw/zinc/04/17/09/1436041709.db2.gz KEZYMIWZYLEFAE-KXBFYZLASA-N 0 1 375.469 3.110 20 0 GGADMN C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)Cc1cccc(F)c1 ZINC000284708966 1436041730 /nfs/dbraw/zinc/04/17/30/1436041730.db2.gz ZUERVWAWGSIRPA-SGXKBVARSA-N 0 1 386.515 3.327 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)NC2CCC(C)CC2)cc1 ZINC000284711694 1436042040 /nfs/dbraw/zinc/04/20/40/1436042040.db2.gz IWWOJGZMBYASFN-LPMVOBIJSA-N 0 1 380.554 3.214 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC2CCC(C)CC2)cc1 ZINC000284711698 1436042221 /nfs/dbraw/zinc/04/22/21/1436042221.db2.gz IWWOJGZMBYASFN-NDUQDZPOSA-N 0 1 380.554 3.214 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000284715417 1436042414 /nfs/dbraw/zinc/04/24/14/1436042414.db2.gz JAXGSJJDFRKLSL-AWEZNQCLSA-N 0 1 394.924 3.101 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000284721655 1436043128 /nfs/dbraw/zinc/04/31/28/1436043128.db2.gz JKYAAXGDMGBWMU-HNNXBMFYSA-N 0 1 386.517 3.258 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)n[nH]1 ZINC000284735853 1436044723 /nfs/dbraw/zinc/04/47/23/1436044723.db2.gz BZBWTPYBHCIHPY-KBPBESRZSA-N 0 1 397.483 3.454 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)CN2CCC3(CCOCC3)CC2)cc1OC ZINC000284733510 1436044775 /nfs/dbraw/zinc/04/47/75/1436044775.db2.gz KFBLIOAQGICCDU-QGZVFWFLSA-N 0 1 390.524 3.082 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000284745638 1436045485 /nfs/dbraw/zinc/04/54/85/1436045485.db2.gz DXTITSGVPHJTMP-MNOVXSKESA-N 0 1 387.431 3.428 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@@H](c2nccn2C)C2CCOCC2)s1 ZINC000284751897 1436046496 /nfs/dbraw/zinc/04/64/96/1436046496.db2.gz FYCQNKSPHGVOQG-WMLDXEAASA-N 0 1 378.542 3.192 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000284757239 1436046828 /nfs/dbraw/zinc/04/68/28/1436046828.db2.gz FXOWOCDLUGTZPF-WBVHZDCISA-N 0 1 380.448 3.059 20 0 GGADMN CC(C)n1cc([C@@H]2CN(Cc3csc(-c4ccccn4)n3)C[C@H]2CO)cn1 ZINC000284762183 1436047332 /nfs/dbraw/zinc/04/73/32/1436047332.db2.gz ZZLSXFWHCULJHL-WMZOPIPTSA-N 0 1 383.521 3.190 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C)[C@H](Cc3ccccc3)C2)cc1 ZINC000284765445 1436047888 /nfs/dbraw/zinc/04/78/88/1436047888.db2.gz MPDJXYRRNCKLSM-VGOFRKELSA-N 0 1 379.504 3.075 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(C(C)=O)c(C)c2)C1 ZINC000284771942 1436048246 /nfs/dbraw/zinc/04/82/46/1436048246.db2.gz KXVIHIICUCVAGR-WBVHZDCISA-N 0 1 383.452 3.187 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccnc2Cl)cc1 ZINC000284778909 1436049068 /nfs/dbraw/zinc/04/90/68/1436049068.db2.gz NRMHTLOFJVHNNV-QWHCGFSZSA-N 0 1 395.912 3.206 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000284795449 1436050458 /nfs/dbraw/zinc/05/04/58/1436050458.db2.gz OYRPICOTHLCUQK-OLZOCXBDSA-N 0 1 395.912 3.206 20 0 GGADMN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000284799924 1436050769 /nfs/dbraw/zinc/05/07/69/1436050769.db2.gz MWLQZOSLOMBDQX-OKZBNKHCSA-N 0 1 391.899 3.448 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NCCC2CCCCC2)cc1 ZINC000284798941 1436050821 /nfs/dbraw/zinc/05/08/21/1436050821.db2.gz PFVVPFPXDGAYGR-MRXNPFEDSA-N 0 1 380.554 3.217 20 0 GGADMN Cc1cc(CNC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)ccc1F ZINC000284808384 1436052190 /nfs/dbraw/zinc/05/21/90/1436052190.db2.gz NMEYIOVXEMEAMY-LAUBAEHRSA-N 0 1 399.514 3.283 20 0 GGADMN Clc1ccc(C2=CC[N@@H+](CCOc3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000826351349 1441424218 /nfs/dbraw/zinc/42/42/18/1441424218.db2.gz JBXBZDJQFRPHEO-UHFFFAOYSA-N 0 1 382.855 3.083 20 0 GGADMN C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824917045 1441430686 /nfs/dbraw/zinc/43/06/86/1441430686.db2.gz LLJRKXRCBRSKSH-LFDOHDQPSA-N 0 1 394.523 3.039 20 0 GGADMN C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824917045 1441430689 /nfs/dbraw/zinc/43/06/89/1441430689.db2.gz LLJRKXRCBRSKSH-LFDOHDQPSA-N 0 1 394.523 3.039 20 0 GGADMN C[C@@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@H](c2ccsc2)O1 ZINC000825000392 1441430815 /nfs/dbraw/zinc/43/08/15/1441430815.db2.gz PNZZQILRNZNYLM-SJKOYZFVSA-N 0 1 382.493 3.168 20 0 GGADMN COc1ccccc1[C@H](C[NH2+]Cc1cc(-c2nn[n-]n2)cs1)N1CCCCC1 ZINC000821882525 1441438206 /nfs/dbraw/zinc/43/82/06/1441438206.db2.gz DAANFSRAUGEVSS-SFHVURJKSA-N 0 1 398.536 3.254 20 0 GGADMN CCC[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736473879 1441448795 /nfs/dbraw/zinc/44/87/95/1441448795.db2.gz UREHQOWHEMAOAS-QRVBRYPASA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736473879 1441448797 /nfs/dbraw/zinc/44/87/97/1441448797.db2.gz UREHQOWHEMAOAS-QRVBRYPASA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000736473879 1441448800 /nfs/dbraw/zinc/44/88/00/1441448800.db2.gz UREHQOWHEMAOAS-QRVBRYPASA-N 0 1 385.512 3.161 20 0 GGADMN C[N@@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022438 1441455460 /nfs/dbraw/zinc/45/54/60/1441455460.db2.gz NFTIMCDQJIYTRX-YVEFUNNKSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022438 1441455462 /nfs/dbraw/zinc/45/54/62/1441455462.db2.gz NFTIMCDQJIYTRX-YVEFUNNKSA-N 0 1 387.850 3.159 20 0 GGADMN COc1c(Br)cccc1C[N@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826166424 1441456962 /nfs/dbraw/zinc/45/69/62/1441456962.db2.gz JUSVHFKVDSDNQR-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1c(Br)cccc1C[N@@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826166424 1441456965 /nfs/dbraw/zinc/45/69/65/1441456965.db2.gz JUSVHFKVDSDNQR-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821858458 1441458592 /nfs/dbraw/zinc/45/85/92/1441458592.db2.gz FWMSUOJTCOAOFL-HNNXBMFYSA-N 0 1 378.480 3.195 20 0 GGADMN Cc1c(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)sc2nc(C)nc(C)c12 ZINC000826324236 1441460304 /nfs/dbraw/zinc/46/03/04/1441460304.db2.gz JHYMZTCTFISCPM-UHFFFAOYSA-N 0 1 379.493 3.429 20 0 GGADMN CC(C)(CO)CCC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819983981 1441463381 /nfs/dbraw/zinc/46/33/81/1441463381.db2.gz LIZRGLLMGXCOAY-UHFFFAOYSA-N 0 1 395.507 3.334 20 0 GGADMN Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737382574 1441473655 /nfs/dbraw/zinc/47/36/55/1441473655.db2.gz YMQVZTIUELKNIN-QGZVFWFLSA-N 0 1 390.491 3.084 20 0 GGADMN Cc1cccc(C(=O)N2CCC[N@@H+]([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737382574 1441473657 /nfs/dbraw/zinc/47/36/57/1441473657.db2.gz YMQVZTIUELKNIN-QGZVFWFLSA-N 0 1 390.491 3.084 20 0 GGADMN Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737382574 1441473659 /nfs/dbraw/zinc/47/36/59/1441473659.db2.gz YMQVZTIUELKNIN-QGZVFWFLSA-N 0 1 390.491 3.084 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737420054 1441477114 /nfs/dbraw/zinc/47/71/14/1441477114.db2.gz HCHLUCKDMKECSC-SJLPKXTDSA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737420054 1441477116 /nfs/dbraw/zinc/47/71/16/1441477116.db2.gz HCHLUCKDMKECSC-SJLPKXTDSA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737420054 1441477119 /nfs/dbraw/zinc/47/71/19/1441477119.db2.gz HCHLUCKDMKECSC-SJLPKXTDSA-N 0 1 390.491 3.382 20 0 GGADMN CC(C)c1nc([C@@H]2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)no1 ZINC000735938942 1441492193 /nfs/dbraw/zinc/49/21/93/1441492193.db2.gz DNUFIFCKSUPFBG-CYBMUJFWSA-N 0 1 390.451 3.305 20 0 GGADMN Clc1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nc1-c1nnn[n-]1 ZINC000737574746 1441492418 /nfs/dbraw/zinc/49/24/18/1441492418.db2.gz OSPDHLSBPDKIPW-OAHLLOKOSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000737574746 1441492421 /nfs/dbraw/zinc/49/24/21/1441492421.db2.gz OSPDHLSBPDKIPW-OAHLLOKOSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nc1-c1nn[n-]n1 ZINC000737574746 1441492425 /nfs/dbraw/zinc/49/24/25/1441492425.db2.gz OSPDHLSBPDKIPW-OAHLLOKOSA-N 0 1 383.887 3.382 20 0 GGADMN COCCN(Cc1ccc(F)cc1Cl)c1[nH+]ccc(C)c1-c1nnn[n-]1 ZINC000826158890 1441498254 /nfs/dbraw/zinc/49/82/54/1441498254.db2.gz HJAUVUHDDAPVEV-UHFFFAOYSA-N 0 1 376.823 3.016 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824457351 1441500791 /nfs/dbraw/zinc/50/07/91/1441500791.db2.gz KFUVLDPNNQYLJH-CQSZACIVSA-N 0 1 397.914 3.105 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826220186 1441508612 /nfs/dbraw/zinc/50/86/12/1441508612.db2.gz FOSRFWLSXPCQSK-GJZGRUSLSA-N 0 1 396.470 3.192 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)cc1-c1nnn[n-]1 ZINC000826202764 1441509891 /nfs/dbraw/zinc/50/98/91/1441509891.db2.gz MGOMHDFEIREGSX-GOSISDBHSA-N 0 1 393.495 3.354 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821043173 1441528034 /nfs/dbraw/zinc/52/80/34/1441528034.db2.gz MKACGWGHEVCKME-ZDUSSCGKSA-N 0 1 380.518 3.101 20 0 GGADMN c1ccc2c(c1)cccc2CCC[NH+]1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738432081 1441548040 /nfs/dbraw/zinc/54/80/40/1441548040.db2.gz DMBDFIVJJKRPGG-UHFFFAOYSA-N 0 1 399.502 3.170 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000824568704 1441553556 /nfs/dbraw/zinc/55/35/56/1441553556.db2.gz CENUGRVIYFXFLP-BDJLRTHQSA-N 0 1 393.369 3.150 20 0 GGADMN O[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000823698372 1441559067 /nfs/dbraw/zinc/55/90/67/1441559067.db2.gz PKEZXKAOXUHOKT-VQIMIIECSA-N 0 1 393.491 3.086 20 0 GGADMN c1ccc2c(c1)OC[C@@H](CC[NH2+][C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)O2 ZINC000826524175 1441572545 /nfs/dbraw/zinc/57/25/45/1441572545.db2.gz LPKUUHNSMDZCGD-AEFFLSMTSA-N 0 1 377.448 3.064 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000826182663 1441578228 /nfs/dbraw/zinc/57/82/28/1441578228.db2.gz QLJZKPKXIGMZLT-UHFFFAOYSA-N 0 1 378.480 3.260 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000821650647 1441581495 /nfs/dbraw/zinc/58/14/95/1441581495.db2.gz WFFYRDGUPPGPHO-CVAIRZPRSA-N 0 1 391.475 3.267 20 0 GGADMN Cc1csc([C@H]2CCCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)n1 ZINC000826320448 1441583198 /nfs/dbraw/zinc/58/31/98/1441583198.db2.gz RFEGWBUMEONVHA-AWEZNQCLSA-N 0 1 381.509 3.289 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000826513440 1441607117 /nfs/dbraw/zinc/60/71/17/1441607117.db2.gz LKTWFHDKFPYMMZ-NHCUHLMSSA-N 0 1 380.540 3.390 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1-c1nnn[n-]1 ZINC000826194736 1441607391 /nfs/dbraw/zinc/60/73/91/1441607391.db2.gz UVLJKWUXDCTKDI-AWEZNQCLSA-N 0 1 385.855 3.182 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000824296059 1441608403 /nfs/dbraw/zinc/60/84/03/1441608403.db2.gz DMIFMUQBYCYEHK-CRAIPNDOSA-N 0 1 385.422 3.176 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822541584 1441608984 /nfs/dbraw/zinc/60/89/84/1441608984.db2.gz OJCHMUXXIMXNHW-JKIFEVAISA-N 0 1 394.479 3.282 20 0 GGADMN COc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1-c1nnn[n-]1 ZINC000826194065 1441619106 /nfs/dbraw/zinc/61/91/06/1441619106.db2.gz ZGEMBGGOXFJJAL-UHFFFAOYSA-N 0 1 391.431 3.376 20 0 GGADMN COc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1-c1nnn[n-]1 ZINC000826194065 1441619108 /nfs/dbraw/zinc/61/91/08/1441619108.db2.gz ZGEMBGGOXFJJAL-UHFFFAOYSA-N 0 1 391.431 3.376 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820722304 1441620981 /nfs/dbraw/zinc/62/09/81/1441620981.db2.gz HICDNZQBKYLUHR-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820722304 1441620984 /nfs/dbraw/zinc/62/09/84/1441620984.db2.gz HICDNZQBKYLUHR-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820722304 1441620986 /nfs/dbraw/zinc/62/09/86/1441620986.db2.gz HICDNZQBKYLUHR-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1c(Cl)cnc(NCc2ccc(F)c(C[NH+](C)C)c2)c1-c1nnn[n-]1 ZINC000826240365 1441657350 /nfs/dbraw/zinc/65/73/50/1441657350.db2.gz OZVOSRVTNJBWLH-UHFFFAOYSA-N 0 1 375.839 3.036 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCCO1 ZINC000825981747 1441665571 /nfs/dbraw/zinc/66/55/71/1441665571.db2.gz XLQJBCAFZSZQCX-IBGZPJMESA-N 0 1 379.464 3.057 20 0 GGADMN CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821321202 1441676075 /nfs/dbraw/zinc/67/60/75/1441676075.db2.gz WDSPPAHNBQWOPV-MAZHCROVSA-N 0 1 393.438 3.275 20 0 GGADMN Cc1ccc(C)n1C1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826285168 1441677092 /nfs/dbraw/zinc/67/70/92/1441677092.db2.gz RCZUTEGMMQYKCH-UHFFFAOYSA-N 0 1 377.496 3.400 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826216179 1441681144 /nfs/dbraw/zinc/68/11/44/1441681144.db2.gz NIBPCRMUTMHYHD-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826216179 1441681148 /nfs/dbraw/zinc/68/11/48/1441681148.db2.gz NIBPCRMUTMHYHD-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826216179 1441681151 /nfs/dbraw/zinc/68/11/51/1441681151.db2.gz NIBPCRMUTMHYHD-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN C[NH+]1CCN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2Cl)CC1 ZINC000736868521 1441687915 /nfs/dbraw/zinc/68/79/15/1441687915.db2.gz SJJFZPHDHDJAIM-UHFFFAOYSA-N 0 1 387.850 3.155 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@@H]2[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000826518347 1441701606 /nfs/dbraw/zinc/70/16/06/1441701606.db2.gz KFDYUOGNHVBJQG-IBGZPJMESA-N 0 1 398.580 3.195 20 0 GGADMN COc1ccccc1N1CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826220728 1441712252 /nfs/dbraw/zinc/71/22/52/1441712252.db2.gz XVTMFHVZBVTGSF-OAHLLOKOSA-N 0 1 378.480 3.195 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]C[C@H]3CCCS3)c2)c1 ZINC000823751274 1441720776 /nfs/dbraw/zinc/72/07/76/1441720776.db2.gz CYNIJZQAFDYQJA-GOSISDBHSA-N 0 1 381.505 3.431 20 0 GGADMN Brc1ccc2c(c1)C=C(C[NH2+]Cc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000735369354 1441725847 /nfs/dbraw/zinc/72/58/47/1441725847.db2.gz RUHHIECJKXYUDF-UHFFFAOYSA-N 0 1 398.264 3.195 20 0 GGADMN C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824612625 1441729328 /nfs/dbraw/zinc/72/93/28/1441729328.db2.gz NULJAMUICYXZPQ-HNAYVOBHSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824612625 1441729331 /nfs/dbraw/zinc/72/93/31/1441729331.db2.gz NULJAMUICYXZPQ-HNAYVOBHSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824612625 1441729332 /nfs/dbraw/zinc/72/93/32/1441729332.db2.gz NULJAMUICYXZPQ-HNAYVOBHSA-N 0 1 380.471 3.006 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826311523 1441731412 /nfs/dbraw/zinc/73/14/12/1441731412.db2.gz GXGNGTFTSYRXKP-CQSZACIVSA-N 0 1 390.369 3.167 20 0 GGADMN c1c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738445403 1441743623 /nfs/dbraw/zinc/74/36/23/1441743623.db2.gz GIBLPOVHZFJRMA-GOSISDBHSA-N 0 1 393.539 3.207 20 0 GGADMN CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736371197 1441744169 /nfs/dbraw/zinc/74/41/69/1441744169.db2.gz PHAWIPPIGNJALN-PIGZYNQJSA-N 0 1 386.406 3.213 20 0 GGADMN COc1ccc(C[NH2+]CCc2ccc(OCC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000821813216 1441764441 /nfs/dbraw/zinc/76/44/41/1441764441.db2.gz ADHCJWFDSXDJGV-UHFFFAOYSA-N 0 1 381.480 3.242 20 0 GGADMN O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823257308 1441773558 /nfs/dbraw/zinc/77/35/58/1441773558.db2.gz HVZZZFODOWLDAC-UHFFFAOYSA-N 0 1 396.520 3.234 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(c2nccs2)CC1 ZINC000822731884 1441776840 /nfs/dbraw/zinc/77/68/40/1441776840.db2.gz DFTAEPYRNTVOJY-UHFFFAOYSA-N 0 1 392.435 3.304 20 0 GGADMN CC(C)C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000824236222 1441779278 /nfs/dbraw/zinc/77/92/78/1441779278.db2.gz NEYGFRRXVFXYJI-RTWAWAEBSA-N 0 1 398.555 3.014 20 0 GGADMN CN(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1cccc(F)c1 ZINC000825848517 1441787267 /nfs/dbraw/zinc/78/72/67/1441787267.db2.gz FOWAEYMQCIEWSS-UXHICEINSA-N 0 1 380.471 3.276 20 0 GGADMN CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820067067 1441793212 /nfs/dbraw/zinc/79/32/12/1441793212.db2.gz BQKKPDNQPYDPOD-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820067067 1441793215 /nfs/dbraw/zinc/79/32/15/1441793215.db2.gz BQKKPDNQPYDPOD-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820067067 1441793218 /nfs/dbraw/zinc/79/32/18/1441793218.db2.gz BQKKPDNQPYDPOD-CYBMUJFWSA-N 0 1 388.541 3.114 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821207744 1441795356 /nfs/dbraw/zinc/79/53/56/1441795356.db2.gz UGXNDFOCQCEAQP-CQSZACIVSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821207744 1441795358 /nfs/dbraw/zinc/79/53/58/1441795358.db2.gz UGXNDFOCQCEAQP-CQSZACIVSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(F)cc1 ZINC000821207744 1441795361 /nfs/dbraw/zinc/79/53/61/1441795361.db2.gz UGXNDFOCQCEAQP-CQSZACIVSA-N 0 1 382.443 3.418 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000736194533 1441799878 /nfs/dbraw/zinc/79/98/78/1441799878.db2.gz AAZUCAXXMNUWSY-HNNXBMFYSA-N 0 1 376.464 3.278 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000826518594 1441807178 /nfs/dbraw/zinc/80/71/78/1441807178.db2.gz SKKCDSNMFBLRSI-IEBWSBKVSA-N 0 1 383.496 3.300 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820642751 1441817321 /nfs/dbraw/zinc/81/73/21/1441817321.db2.gz LGEUDJMSFXAIDJ-RDTXWAMCSA-N 0 1 387.447 3.295 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819940190 1441817368 /nfs/dbraw/zinc/81/73/68/1441817368.db2.gz RTIPFOLKTPOSKT-IRXDYDNUSA-N 0 1 386.500 3.040 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000821446630 1441819285 /nfs/dbraw/zinc/81/92/85/1441819285.db2.gz BPKLCJKNSJOGTM-GJZGRUSLSA-N 0 1 385.497 3.023 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000820411676 1441819413 /nfs/dbraw/zinc/81/94/13/1441819413.db2.gz JFJIBMLKZCJAGT-KBPBESRZSA-N 0 1 378.436 3.235 20 0 GGADMN CCC[C@](C)(CO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736416031 1441822527 /nfs/dbraw/zinc/82/25/27/1441822527.db2.gz JOKGHKVPNROAKB-OAQYLSRUSA-N 0 1 381.480 3.086 20 0 GGADMN CCC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)CCc1cccc(F)c1 ZINC000736478600 1441822544 /nfs/dbraw/zinc/82/25/44/1441822544.db2.gz DZQYVSGYPZAWAG-UHFFFAOYSA-N 0 1 399.470 3.348 20 0 GGADMN CCC[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1OC)CCc1cccc(F)c1 ZINC000736478600 1441822548 /nfs/dbraw/zinc/82/25/48/1441822548.db2.gz DZQYVSGYPZAWAG-UHFFFAOYSA-N 0 1 399.470 3.348 20 0 GGADMN CCC[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1OC)CCc1cccc(F)c1 ZINC000736478600 1441822552 /nfs/dbraw/zinc/82/25/52/1441822552.db2.gz DZQYVSGYPZAWAG-UHFFFAOYSA-N 0 1 399.470 3.348 20 0 GGADMN Fc1ccc(C=CC[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826374196 1441825665 /nfs/dbraw/zinc/82/56/65/1441825665.db2.gz PISJXFNITUCGEK-UPHRSURJSA-N 0 1 394.454 3.394 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821165084 1441833593 /nfs/dbraw/zinc/83/35/93/1441833593.db2.gz OVARCBJMQUQLKX-UHFFFAOYSA-N 0 1 399.886 3.294 20 0 GGADMN CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821165084 1441833595 /nfs/dbraw/zinc/83/35/95/1441833595.db2.gz OVARCBJMQUQLKX-UHFFFAOYSA-N 0 1 399.886 3.294 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821165084 1441833598 /nfs/dbraw/zinc/83/35/98/1441833598.db2.gz OVARCBJMQUQLKX-UHFFFAOYSA-N 0 1 399.886 3.294 20 0 GGADMN C[NH+](C)CCCOc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000736766544 1441834125 /nfs/dbraw/zinc/83/41/25/1441834125.db2.gz AVXSSHVNTAONIL-UHFFFAOYSA-N 0 1 388.422 3.088 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1-c1nnn[n-]1 ZINC000822772421 1441843942 /nfs/dbraw/zinc/84/39/42/1441843942.db2.gz YFJJCWMOWVBPPO-KRWDZBQOSA-N 0 1 381.411 3.114 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@](C)(c2ccccc2)C1 ZINC000822335846 1441843975 /nfs/dbraw/zinc/84/39/75/1441843975.db2.gz MTADKIKWDYWORF-QFIPXVFZSA-N 0 1 386.459 3.475 20 0 GGADMN c1ccc([C@@H]2COC3(C2)CC[NH+](Cc2cccc(-c4nn[n-]n4)c2)CC3)cc1 ZINC001139852053 1441845727 /nfs/dbraw/zinc/84/57/27/1441845727.db2.gz QTSMOXGZOZTNAF-FQEVSTJZSA-N 0 1 375.476 3.405 20 0 GGADMN C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820411277 1441847104 /nfs/dbraw/zinc/84/71/04/1441847104.db2.gz HSWCQVACALKNCY-HOTGVXAUSA-N 0 1 377.496 3.012 20 0 GGADMN CC[N@@H+](Cc1ccc(OC)c(OC)c1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435309 1441849552 /nfs/dbraw/zinc/84/95/52/1441849552.db2.gz TVAVHUGRNBVODQ-CQSZACIVSA-N 0 1 397.479 3.476 20 0 GGADMN Fc1cccc(C[N@@H+](CCC2OCCCO2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822787019 1441850168 /nfs/dbraw/zinc/85/01/68/1441850168.db2.gz SITTTXDHFZVNLA-UHFFFAOYSA-N 0 1 397.454 3.161 20 0 GGADMN COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)c1 ZINC000826214295 1441852039 /nfs/dbraw/zinc/85/20/39/1441852039.db2.gz HFLLSRLAWKMVEP-IERDGZPVSA-N 0 1 392.507 3.363 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000822744653 1441858672 /nfs/dbraw/zinc/85/86/72/1441858672.db2.gz ZFDNSNAVKHPLCU-UHFFFAOYSA-N 0 1 398.511 3.209 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737044655 1441876977 /nfs/dbraw/zinc/87/69/77/1441876977.db2.gz BQYWFPJDWCLMNX-UHFFFAOYSA-N 0 1 393.369 3.248 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824568639 1441902507 /nfs/dbraw/zinc/90/25/07/1441902507.db2.gz BIZMWELEICIZOY-KDOFPFPSSA-N 0 1 383.471 3.459 20 0 GGADMN CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819987726 1441908378 /nfs/dbraw/zinc/90/83/78/1441908378.db2.gz IRIWSMMWZHEILJ-UHFFFAOYSA-N 0 1 392.385 3.228 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826523246 1441918732 /nfs/dbraw/zinc/91/87/32/1441918732.db2.gz GMNMUKZLGUSHEJ-HXUWFJFHSA-N 0 1 388.519 3.151 20 0 GGADMN CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000820989437 1441922566 /nfs/dbraw/zinc/92/25/66/1441922566.db2.gz SMTILLKVUOGFDQ-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820989437 1441922568 /nfs/dbraw/zinc/92/25/68/1441922568.db2.gz SMTILLKVUOGFDQ-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000820989437 1441922570 /nfs/dbraw/zinc/92/25/70/1441922570.db2.gz SMTILLKVUOGFDQ-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN C[NH+](C)[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000736762792 1441927999 /nfs/dbraw/zinc/92/79/99/1441927999.db2.gz XHVBEVILYZSTQG-OAHLLOKOSA-N 0 1 390.413 3.470 20 0 GGADMN C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)[N@H+]1CCc2ccccc2C1 ZINC000736027219 1441930769 /nfs/dbraw/zinc/93/07/69/1441930769.db2.gz ZQVPUIYGKVZIGX-OAHLLOKOSA-N 0 1 385.475 3.274 20 0 GGADMN Cc1ccnc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826311201 1441950414 /nfs/dbraw/zinc/95/04/14/1441950414.db2.gz WXDXDABNVVFFBB-AWEZNQCLSA-N 0 1 383.887 3.107 20 0 GGADMN C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824546196 1441960554 /nfs/dbraw/zinc/96/05/54/1441960554.db2.gz HCUYZDZZGVRUOV-JQFCIGGWSA-N 0 1 386.500 3.211 20 0 GGADMN c1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC1)C2 ZINC000826523249 1441964570 /nfs/dbraw/zinc/96/45/70/1441964570.db2.gz GNKYISKYYLSIMR-IOJLRTSASA-N 0 1 390.491 3.099 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736369518 1441964755 /nfs/dbraw/zinc/96/47/55/1441964755.db2.gz IDBLKMAVQBXYIS-ZBEGNZNMSA-N 0 1 386.406 3.213 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1cccs1 ZINC000821623596 1441978623 /nfs/dbraw/zinc/97/86/23/1441978623.db2.gz NYTHUXFGNMBCHK-BDJLRTHQSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1c1cccs1 ZINC000821623596 1441978625 /nfs/dbraw/zinc/97/86/25/1441978625.db2.gz NYTHUXFGNMBCHK-BDJLRTHQSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1c1cccs1 ZINC000821623596 1441978626 /nfs/dbraw/zinc/97/86/26/1441978626.db2.gz NYTHUXFGNMBCHK-BDJLRTHQSA-N 0 1 389.916 3.472 20 0 GGADMN O[C@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826502656 1441984163 /nfs/dbraw/zinc/98/41/63/1441984163.db2.gz HXLZFDZQCAYPOV-CTNGQTDRSA-N 0 1 393.491 3.128 20 0 GGADMN Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000822736489 1441988028 /nfs/dbraw/zinc/98/80/28/1441988028.db2.gz FMQSCCYYXOKFHU-CQSZACIVSA-N 0 1 376.455 3.237 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820642319 1441988018 /nfs/dbraw/zinc/98/80/18/1441988018.db2.gz HYWNLXINJHJZLY-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820642319 1441988019 /nfs/dbraw/zinc/98/80/19/1441988019.db2.gz HYWNLXINJHJZLY-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820642319 1441988021 /nfs/dbraw/zinc/98/80/21/1441988021.db2.gz HYWNLXINJHJZLY-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN c1c2c(nc(NC3CC[NH+](C4CCCCC4)CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826511967 1441991463 /nfs/dbraw/zinc/99/14/63/1441991463.db2.gz KQICYSFVSHRVAN-UHFFFAOYSA-N 0 1 381.528 3.350 20 0 GGADMN O=C(CC[NH+]1CCC(c2cccc(F)c2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822965006 1441993222 /nfs/dbraw/zinc/99/32/22/1441993222.db2.gz WNDUUJDUZRDHNO-UHFFFAOYSA-N 0 1 394.454 3.214 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)cc1-c1nnn[n-]1 ZINC000826202765 1441995027 /nfs/dbraw/zinc/99/50/27/1441995027.db2.gz MGOMHDFEIREGSX-SFHVURJKSA-N 0 1 393.495 3.354 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891139 1441996014 /nfs/dbraw/zinc/99/60/14/1441996014.db2.gz WJRPNJFVYHVHRP-RTBURBONSA-N 0 1 379.464 3.136 20 0 GGADMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000824690200 1441997361 /nfs/dbraw/zinc/99/73/61/1441997361.db2.gz QUEHQKZZOPJSEP-SJLPKXTDSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000824690200 1441997362 /nfs/dbraw/zinc/99/73/62/1441997362.db2.gz QUEHQKZZOPJSEP-SJLPKXTDSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000824690200 1441997363 /nfs/dbraw/zinc/99/73/63/1441997363.db2.gz QUEHQKZZOPJSEP-SJLPKXTDSA-N 0 1 393.491 3.039 20 0 GGADMN CC[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825127037 1442004623 /nfs/dbraw/zinc/00/46/23/1442004623.db2.gz KZOLHCUWEMOEPE-OAQYLSRUSA-N 0 1 390.535 3.442 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1-c1nn[n-]n1 ZINC000821805481 1442024625 /nfs/dbraw/zinc/02/46/25/1442024625.db2.gz UTKOMFGQPKLFHL-CYBMUJFWSA-N 0 1 392.463 3.075 20 0 GGADMN C[C@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735992783 1442026035 /nfs/dbraw/zinc/02/60/35/1442026035.db2.gz MVQPMNRJKWOIGZ-QGZVFWFLSA-N 0 1 376.508 3.446 20 0 GGADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826215139 1442027465 /nfs/dbraw/zinc/02/74/65/1442027465.db2.gz HWDQTAMAQLZQHZ-IFXJQAMLSA-N 0 1 379.464 3.467 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC=C(C)CC2)c1-c1nnn[n-]1 ZINC000824851620 1442035429 /nfs/dbraw/zinc/03/54/29/1442035429.db2.gz BCJVOJCWRMTGLM-UHFFFAOYSA-N 0 1 397.527 3.381 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC=C(C)CC2)c1-c1nnn[n-]1 ZINC000824851620 1442035432 /nfs/dbraw/zinc/03/54/32/1442035432.db2.gz BCJVOJCWRMTGLM-UHFFFAOYSA-N 0 1 397.527 3.381 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1-c1nnn[n-]1 ZINC000826332372 1442037425 /nfs/dbraw/zinc/03/74/25/1442037425.db2.gz RVXCMYSRJPSYPC-CYBMUJFWSA-N 0 1 394.508 3.053 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1-c1nn[n-]n1 ZINC000826332372 1442037430 /nfs/dbraw/zinc/03/74/30/1442037430.db2.gz RVXCMYSRJPSYPC-CYBMUJFWSA-N 0 1 394.508 3.053 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H](C)c2nccs2)c1-c1nn[n-]n1 ZINC000826332372 1442037433 /nfs/dbraw/zinc/03/74/33/1442037433.db2.gz RVXCMYSRJPSYPC-CYBMUJFWSA-N 0 1 394.508 3.053 20 0 GGADMN CCc1ccc(C2=CC[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704286 1442040934 /nfs/dbraw/zinc/04/09/34/1442040934.db2.gz GAIHEKDAONNOKA-OAQYLSRUSA-N 0 1 375.476 3.252 20 0 GGADMN CC(C)[NH+](CCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)C(C)C ZINC000820116803 1442041999 /nfs/dbraw/zinc/04/19/99/1442041999.db2.gz ODFYGWBYQHNZCE-UHFFFAOYSA-N 0 1 389.454 3.036 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@H](Oc4ccccn4)C3)c2c1 ZINC000822195143 1442044194 /nfs/dbraw/zinc/04/41/94/1442044194.db2.gz IMJSAWTXQRMOCP-HNNXBMFYSA-N 0 1 387.447 3.084 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826404935 1442056068 /nfs/dbraw/zinc/05/60/68/1442056068.db2.gz QJPDFWPRWMZGIX-QGZVFWFLSA-N 0 1 383.402 3.382 20 0 GGADMN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736247487 1442056117 /nfs/dbraw/zinc/05/61/17/1442056117.db2.gz FCZXVZLFIBAISH-VXGBXAGGSA-N 0 1 393.948 3.069 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1-c1nnn[n-]1 ZINC000826194645 1442059069 /nfs/dbraw/zinc/05/90/69/1442059069.db2.gz RONPVJJHSGLIJQ-OAHLLOKOSA-N 0 1 390.447 3.396 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1-c1nn[n-]n1 ZINC000826194645 1442059073 /nfs/dbraw/zinc/05/90/73/1442059073.db2.gz RONPVJJHSGLIJQ-OAHLLOKOSA-N 0 1 390.447 3.396 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1-c1nn[n-]n1 ZINC000826194645 1442059075 /nfs/dbraw/zinc/05/90/75/1442059075.db2.gz RONPVJJHSGLIJQ-OAHLLOKOSA-N 0 1 390.447 3.396 20 0 GGADMN c1csc([C@H]([NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc2)n1 ZINC000823773581 1442062107 /nfs/dbraw/zinc/06/21/07/1442062107.db2.gz WJWFZLIPOABGMM-GOSISDBHSA-N 0 1 392.488 3.471 20 0 GGADMN CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825439593 1442067174 /nfs/dbraw/zinc/06/71/74/1442067174.db2.gz GJCOXKSMGNMBPI-CYBMUJFWSA-N 0 1 396.520 3.266 20 0 GGADMN CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825439593 1442067176 /nfs/dbraw/zinc/06/71/76/1442067176.db2.gz GJCOXKSMGNMBPI-CYBMUJFWSA-N 0 1 396.520 3.266 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000821798541 1442067697 /nfs/dbraw/zinc/06/76/97/1442067697.db2.gz DTHYWBKSOFLFJN-XIKOKIGWSA-N 0 1 387.871 3.395 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000737559477 1442078279 /nfs/dbraw/zinc/07/82/79/1442078279.db2.gz YWEPGKXZNGHQLE-UHFFFAOYSA-N 0 1 383.887 3.239 20 0 GGADMN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000825096428 1442091998 /nfs/dbraw/zinc/09/19/98/1442091998.db2.gz NGJCGUOLXXNUEY-ZDUSSCGKSA-N 0 1 388.491 3.084 20 0 GGADMN CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000824114366 1442105084 /nfs/dbraw/zinc/10/50/84/1442105084.db2.gz QGCSNRALIDCOHQ-UHFFFAOYSA-N 0 1 383.427 3.251 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737551474 1442109756 /nfs/dbraw/zinc/10/97/56/1442109756.db2.gz HOSNRVVGQUFLAA-DYVFJYSZSA-N 0 1 394.479 3.141 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737551474 1442109759 /nfs/dbraw/zinc/10/97/59/1442109759.db2.gz HOSNRVVGQUFLAA-DYVFJYSZSA-N 0 1 394.479 3.141 20 0 GGADMN CCCc1ccc([C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(C)C)cc1 ZINC000736497510 1442130779 /nfs/dbraw/zinc/13/07/79/1442130779.db2.gz QZUXYZFTBAIPFA-VQIMIIECSA-N 0 1 394.527 3.044 20 0 GGADMN COc1ccccc1[C@H]1CC[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737146121 1442133601 /nfs/dbraw/zinc/13/36/01/1442133601.db2.gz GBTVJWSIYUNCSW-KRWDZBQOSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccccc1[C@H]1CC[N@H+](CCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737146121 1442133604 /nfs/dbraw/zinc/13/36/04/1442133604.db2.gz GBTVJWSIYUNCSW-KRWDZBQOSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccccc1[C@H]1CC[N@@H+](CCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737146121 1442133607 /nfs/dbraw/zinc/13/36/07/1442133607.db2.gz GBTVJWSIYUNCSW-KRWDZBQOSA-N 0 1 379.464 3.134 20 0 GGADMN Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826281719 1442146254 /nfs/dbraw/zinc/14/62/54/1442146254.db2.gz HGHOJZVNTPYZOC-INIZCTEOSA-N 0 1 390.491 3.131 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825981671 1442148173 /nfs/dbraw/zinc/14/81/73/1442148173.db2.gz WJITYKLTUFWEMG-UHFFFAOYSA-N 0 1 398.898 3.161 20 0 GGADMN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825981671 1442148177 /nfs/dbraw/zinc/14/81/77/1442148177.db2.gz WJITYKLTUFWEMG-UHFFFAOYSA-N 0 1 398.898 3.161 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825981671 1442148179 /nfs/dbraw/zinc/14/81/79/1442148179.db2.gz WJITYKLTUFWEMG-UHFFFAOYSA-N 0 1 398.898 3.161 20 0 GGADMN Fc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1-c1nn[n-]n1 ZINC000822765959 1442166158 /nfs/dbraw/zinc/16/61/58/1442166158.db2.gz CJNSIYZYGUTBHI-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN C[N@H+](CCc1cccc2ccccc21)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736804049 1442172858 /nfs/dbraw/zinc/17/28/58/1442172858.db2.gz GOJXPRNTGABCBD-UHFFFAOYSA-N 0 1 386.459 3.133 20 0 GGADMN C[N@@H+](CCc1cccc2ccccc21)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736804049 1442172862 /nfs/dbraw/zinc/17/28/62/1442172862.db2.gz GOJXPRNTGABCBD-UHFFFAOYSA-N 0 1 386.459 3.133 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C[C@@H]1CCCCO1 ZINC000825322862 1442180331 /nfs/dbraw/zinc/18/03/31/1442180331.db2.gz KNCLOTQYOLZKCF-HNNXBMFYSA-N 0 1 394.317 3.410 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C[C@@H]1CCCCO1 ZINC000825322862 1442180333 /nfs/dbraw/zinc/18/03/33/1442180333.db2.gz KNCLOTQYOLZKCF-HNNXBMFYSA-N 0 1 394.317 3.410 20 0 GGADMN CCCC[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000825284978 1442184440 /nfs/dbraw/zinc/18/44/40/1442184440.db2.gz FTXIVIFMUXWOFU-UHFFFAOYSA-N 0 1 379.306 3.306 20 0 GGADMN CC[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)N1CCc2ccccc2C1 ZINC000825120140 1442187920 /nfs/dbraw/zinc/18/79/20/1442187920.db2.gz HYMUXZFBPMQYEW-KXBFYZLASA-N 0 1 394.498 3.493 20 0 GGADMN c1cc(CCC[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000826515204 1442189773 /nfs/dbraw/zinc/18/97/73/1442189773.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(CCC[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000826515204 1442189776 /nfs/dbraw/zinc/18/97/76/1442189776.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(CCC[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000826515204 1442189781 /nfs/dbraw/zinc/18/97/81/1442189781.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(CCCN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000826515204 1442189784 /nfs/dbraw/zinc/18/97/84/1442189784.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(CCCN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000826515204 1442189787 /nfs/dbraw/zinc/18/97/87/1442189787.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(CCCN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000826515204 1442189791 /nfs/dbraw/zinc/18/97/91/1442189791.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(CCCN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000826515204 1442189794 /nfs/dbraw/zinc/18/97/94/1442189794.db2.gz QIFSPRBRPVGQOR-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577665 1442191013 /nfs/dbraw/zinc/19/10/13/1442191013.db2.gz MMNBBHIEJNAPKS-FUHWJXTLSA-N 0 1 394.498 3.221 20 0 GGADMN C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577665 1442191015 /nfs/dbraw/zinc/19/10/15/1442191015.db2.gz MMNBBHIEJNAPKS-FUHWJXTLSA-N 0 1 394.498 3.221 20 0 GGADMN C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824577665 1442191017 /nfs/dbraw/zinc/19/10/17/1442191017.db2.gz MMNBBHIEJNAPKS-FUHWJXTLSA-N 0 1 394.498 3.221 20 0 GGADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821220693 1442221008 /nfs/dbraw/zinc/22/10/08/1442221008.db2.gz DXRPTKLRHMTSIC-UHFFFAOYSA-N 0 1 397.458 3.121 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000826187656 1442227713 /nfs/dbraw/zinc/22/77/13/1442227713.db2.gz ATDHHMIORBRQBV-JTQLQIEISA-N 0 1 393.369 3.467 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000822217789 1442235752 /nfs/dbraw/zinc/23/57/52/1442235752.db2.gz NNWQRXHUJNXEKB-DLBZAZTESA-N 0 1 397.527 3.293 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000822217789 1442235758 /nfs/dbraw/zinc/23/57/58/1442235758.db2.gz NNWQRXHUJNXEKB-DLBZAZTESA-N 0 1 397.527 3.293 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000822217789 1442235762 /nfs/dbraw/zinc/23/57/62/1442235762.db2.gz NNWQRXHUJNXEKB-DLBZAZTESA-N 0 1 397.527 3.293 20 0 GGADMN CN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736842812 1442239626 /nfs/dbraw/zinc/23/96/26/1442239626.db2.gz FJCCIDUPGXPWEG-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN CC(C)C[N@@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735827444 1442244766 /nfs/dbraw/zinc/24/47/66/1442244766.db2.gz NHCHUQDKXFZPTJ-UHFFFAOYSA-N 0 1 389.507 3.454 20 0 GGADMN CC(C)C[N@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827444 1442244770 /nfs/dbraw/zinc/24/47/70/1442244770.db2.gz NHCHUQDKXFZPTJ-UHFFFAOYSA-N 0 1 389.507 3.454 20 0 GGADMN CC(C)C[N@@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827444 1442244775 /nfs/dbraw/zinc/24/47/75/1442244775.db2.gz NHCHUQDKXFZPTJ-UHFFFAOYSA-N 0 1 389.507 3.454 20 0 GGADMN Fc1cccc(CCC[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826376430 1442268423 /nfs/dbraw/zinc/26/84/23/1442268423.db2.gz DLCSLTUILHLQLA-UHFFFAOYSA-N 0 1 381.455 3.482 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826029373 1442303931 /nfs/dbraw/zinc/30/39/31/1442303931.db2.gz RLXGWRKVZOGHAG-HZPDHXFCSA-N 0 1 392.891 3.256 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413694 1442311646 /nfs/dbraw/zinc/31/16/46/1442311646.db2.gz UIROPUKYEKUESX-KGLIPLIRSA-N 0 1 378.436 3.235 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193136 1442322479 /nfs/dbraw/zinc/32/24/79/1442322479.db2.gz KSVLMIFLYBXKNA-OXQOHEQNSA-N 0 1 394.523 3.135 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193136 1442322482 /nfs/dbraw/zinc/32/24/82/1442322482.db2.gz KSVLMIFLYBXKNA-OXQOHEQNSA-N 0 1 394.523 3.135 20 0 GGADMN CO[C@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000821676568 1442325876 /nfs/dbraw/zinc/32/58/76/1442325876.db2.gz AUTQJIOXRKUIQX-HXUWFJFHSA-N 0 1 381.480 3.206 20 0 GGADMN CC[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000825140598 1442327473 /nfs/dbraw/zinc/32/74/73/1442327473.db2.gz KXWVQXRGYQPQOA-QGZVFWFLSA-N 0 1 386.406 3.214 20 0 GGADMN Fc1cccc(CCC[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826376769 1442331373 /nfs/dbraw/zinc/33/13/73/1442331373.db2.gz QVONDEJETBORQO-UHFFFAOYSA-N 0 1 394.498 3.146 20 0 GGADMN Fc1cccc(CCC[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826376769 1442331377 /nfs/dbraw/zinc/33/13/77/1442331377.db2.gz QVONDEJETBORQO-UHFFFAOYSA-N 0 1 394.498 3.146 20 0 GGADMN Fc1cccc(CCC[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826376769 1442331382 /nfs/dbraw/zinc/33/13/82/1442331382.db2.gz QVONDEJETBORQO-UHFFFAOYSA-N 0 1 394.498 3.146 20 0 GGADMN Fc1cccc(CCCN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826376769 1442331387 /nfs/dbraw/zinc/33/13/87/1442331387.db2.gz QVONDEJETBORQO-UHFFFAOYSA-N 0 1 394.498 3.146 20 0 GGADMN Fc1cccc(CCCN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826376769 1442331389 /nfs/dbraw/zinc/33/13/89/1442331389.db2.gz QVONDEJETBORQO-UHFFFAOYSA-N 0 1 394.498 3.146 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000736232614 1442340293 /nfs/dbraw/zinc/34/02/93/1442340293.db2.gz ZUHPMPUKPKZZLA-XLIONFOSSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000736232614 1442340298 /nfs/dbraw/zinc/34/02/98/1442340298.db2.gz ZUHPMPUKPKZZLA-XLIONFOSSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000736232614 1442340303 /nfs/dbraw/zinc/34/03/03/1442340303.db2.gz ZUHPMPUKPKZZLA-XLIONFOSSA-N 0 1 376.508 3.352 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825416401 1442341881 /nfs/dbraw/zinc/34/18/81/1442341881.db2.gz IFIPXYGVTNRDFP-KRWDZBQOSA-N 0 1 394.523 3.438 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825416401 1442341886 /nfs/dbraw/zinc/34/18/86/1442341886.db2.gz IFIPXYGVTNRDFP-KRWDZBQOSA-N 0 1 394.523 3.438 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000821099587 1442343031 /nfs/dbraw/zinc/34/30/31/1442343031.db2.gz JXSUHDSYXPDESP-IBGZPJMESA-N 0 1 396.539 3.260 20 0 GGADMN CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000821099587 1442343040 /nfs/dbraw/zinc/34/30/40/1442343040.db2.gz JXSUHDSYXPDESP-IBGZPJMESA-N 0 1 396.539 3.260 20 0 GGADMN CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000821099587 1442343043 /nfs/dbraw/zinc/34/30/43/1442343043.db2.gz JXSUHDSYXPDESP-IBGZPJMESA-N 0 1 396.539 3.260 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)cc1-c1nn[n-]n1 ZINC000826202957 1442347406 /nfs/dbraw/zinc/34/74/06/1442347406.db2.gz UFZUHRSHXCIRBL-UHFFFAOYSA-N 0 1 389.406 3.383 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000826182845 1442347534 /nfs/dbraw/zinc/34/75/34/1442347534.db2.gz WBOXOKYMKLBFKM-UHFFFAOYSA-N 0 1 395.307 3.192 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000826182845 1442347539 /nfs/dbraw/zinc/34/75/39/1442347539.db2.gz WBOXOKYMKLBFKM-UHFFFAOYSA-N 0 1 395.307 3.192 20 0 GGADMN c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001139852857 1442358281 /nfs/dbraw/zinc/35/82/81/1442358281.db2.gz XJENTRRIFNMHIP-FCHUYYIVSA-N 0 1 389.503 3.479 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820702889 1442359637 /nfs/dbraw/zinc/35/96/37/1442359637.db2.gz AZACSHLHQVAMAV-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820702889 1442359638 /nfs/dbraw/zinc/35/96/38/1442359638.db2.gz AZACSHLHQVAMAV-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820702889 1442359640 /nfs/dbraw/zinc/35/96/40/1442359640.db2.gz AZACSHLHQVAMAV-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN Cc1nn2c(C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)c(C)nc2s1 ZINC000826334914 1442361437 /nfs/dbraw/zinc/36/14/37/1442361437.db2.gz PBPFDXXKWVPPIW-UHFFFAOYSA-N 0 1 396.524 3.246 20 0 GGADMN C[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000821617782 1442371036 /nfs/dbraw/zinc/37/10/36/1442371036.db2.gz BLRGDVBEFNFRAE-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN C[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000821617782 1442371041 /nfs/dbraw/zinc/37/10/41/1442371041.db2.gz BLRGDVBEFNFRAE-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN CC(C)Oc1ccc(C[NH+]2CCN(c3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000735913357 1442385407 /nfs/dbraw/zinc/38/54/07/1442385407.db2.gz BMJCHYKOXGSJEC-UHFFFAOYSA-N 0 1 396.470 3.115 20 0 GGADMN O[C@@H](C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681763 1442387189 /nfs/dbraw/zinc/38/71/89/1442387189.db2.gz KIEQTYQJGKKCNH-KRWDZBQOSA-N 0 1 390.274 3.265 20 0 GGADMN O[C@@H](C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681763 1442387194 /nfs/dbraw/zinc/38/71/94/1442387194.db2.gz KIEQTYQJGKKCNH-KRWDZBQOSA-N 0 1 390.274 3.265 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736196531 1442403239 /nfs/dbraw/zinc/40/32/39/1442403239.db2.gz JGXQSEFLLTVCFX-INIZCTEOSA-N 0 1 380.471 3.275 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736196531 1442403241 /nfs/dbraw/zinc/40/32/41/1442403241.db2.gz JGXQSEFLLTVCFX-INIZCTEOSA-N 0 1 380.471 3.275 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000736196531 1442403243 /nfs/dbraw/zinc/40/32/43/1442403243.db2.gz JGXQSEFLLTVCFX-INIZCTEOSA-N 0 1 380.471 3.275 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2CCCc3sccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361145 1442406068 /nfs/dbraw/zinc/40/60/68/1442406068.db2.gz NBPYUDWAAIGKKQ-QGZVFWFLSA-N 0 1 391.504 3.496 20 0 GGADMN COc1cc(C)c(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1OC ZINC000737039869 1442410453 /nfs/dbraw/zinc/41/04/53/1442410453.db2.gz LLSXCABKBALDLB-UHFFFAOYSA-N 0 1 390.447 3.377 20 0 GGADMN COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826220142 1442413943 /nfs/dbraw/zinc/41/39/43/1442413943.db2.gz DHGQHNFPSJSPKZ-HKUYNNGSSA-N 0 1 390.491 3.121 20 0 GGADMN C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)COC2 ZINC000820425865 1442415177 /nfs/dbraw/zinc/41/51/77/1442415177.db2.gz CCBCYUURTIAADC-AWEZNQCLSA-N 0 1 381.505 3.481 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000826029420 1442416747 /nfs/dbraw/zinc/41/67/47/1442416747.db2.gz RYVGIPDZZOYUPI-ZWKOTPCHSA-N 0 1 386.862 3.194 20 0 GGADMN OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738393921 1442425053 /nfs/dbraw/zinc/42/50/53/1442425053.db2.gz OFXNYNXSVVVNQM-CTNGQTDRSA-N 0 1 393.491 3.086 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(-n2cncn2)cc1 ZINC000824547581 1442426550 /nfs/dbraw/zinc/42/65/50/1442426550.db2.gz QDQKFDWJXPMMCT-VBKZILBWSA-N 0 1 386.463 3.176 20 0 GGADMN O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826433325 1442428869 /nfs/dbraw/zinc/42/88/69/1442428869.db2.gz BPHMVDVEDZIYMM-GOSISDBHSA-N 0 1 396.882 3.087 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000825958448 1442445591 /nfs/dbraw/zinc/44/55/91/1442445591.db2.gz XBHSDPHLDQUHNI-INIZCTEOSA-N 0 1 378.263 3.339 20 0 GGADMN Fc1ccc([C@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CCO2)cc1F ZINC000822766888 1442448843 /nfs/dbraw/zinc/44/88/43/1442448843.db2.gz PNHZTSYFPXBRHS-GOSISDBHSA-N 0 1 394.385 3.271 20 0 GGADMN CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000820723022 1442449605 /nfs/dbraw/zinc/44/96/05/1442449605.db2.gz UCUHVGDNJJZZRU-UHFFFAOYSA-N 0 1 392.463 3.329 20 0 GGADMN CCC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736398193 1442458536 /nfs/dbraw/zinc/45/85/36/1442458536.db2.gz YUQCDPZUXLDLOH-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CN(C)c1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000821589619 1442460561 /nfs/dbraw/zinc/46/05/61/1442460561.db2.gz WFROHLIROAENHU-UHFFFAOYSA-N 0 1 381.459 3.153 20 0 GGADMN CC(C)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820056450 1442466755 /nfs/dbraw/zinc/46/67/55/1442466755.db2.gz PIGOKHDHBJJWTB-IBGZPJMESA-N 0 1 399.520 3.017 20 0 GGADMN CC[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736535907 1442467222 /nfs/dbraw/zinc/46/72/22/1442467222.db2.gz YBOOMCUSCVKRCU-KXBFYZLASA-N 0 1 392.463 3.275 20 0 GGADMN CC[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736535907 1442467224 /nfs/dbraw/zinc/46/72/24/1442467224.db2.gz YBOOMCUSCVKRCU-KXBFYZLASA-N 0 1 392.463 3.275 20 0 GGADMN CC[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736535907 1442467226 /nfs/dbraw/zinc/46/72/26/1442467226.db2.gz YBOOMCUSCVKRCU-KXBFYZLASA-N 0 1 392.463 3.275 20 0 GGADMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(N2CCCC2)n1 ZINC000826288331 1442467892 /nfs/dbraw/zinc/46/78/92/1442467892.db2.gz BNXUSJPYIJEFST-AWEZNQCLSA-N 0 1 381.459 3.160 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668461 1442471529 /nfs/dbraw/zinc/47/15/29/1442471529.db2.gz SXYKYAHZKDIEKY-NHYWBVRUSA-N 0 1 386.456 3.089 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668461 1442471530 /nfs/dbraw/zinc/47/15/30/1442471530.db2.gz SXYKYAHZKDIEKY-NHYWBVRUSA-N 0 1 386.456 3.089 20 0 GGADMN Fc1ccccc1[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CCO1 ZINC000822796639 1442482379 /nfs/dbraw/zinc/48/23/79/1442482379.db2.gz UAKDJFHDXCXZMB-SFHVURJKSA-N 0 1 376.395 3.132 20 0 GGADMN Cn1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360505 1442494394 /nfs/dbraw/zinc/49/43/94/1442494394.db2.gz MYUZTKPAUBIKPZ-UHFFFAOYSA-N 0 1 395.511 3.047 20 0 GGADMN CC[N@H+](Cc1cc(-c2nnn[n-]2)ccc1F)CC1CCN(c2ccccn2)CC1 ZINC000821221687 1443075553 /nfs/dbraw/zinc/07/55/53/1443075553.db2.gz LPTBDKBGAXNAFH-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@@H+](Cc1cc(-c2nn[n-]n2)ccc1F)CC1CCN(c2ccccn2)CC1 ZINC000821221687 1443075556 /nfs/dbraw/zinc/07/55/56/1443075556.db2.gz LPTBDKBGAXNAFH-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@H+](Cc1cc(-c2nn[n-]n2)ccc1F)CC1CCN(c2ccccn2)CC1 ZINC000821221687 1443075562 /nfs/dbraw/zinc/07/55/62/1443075562.db2.gz LPTBDKBGAXNAFH-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@@H+]1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375850 1443089823 /nfs/dbraw/zinc/08/98/23/1443089823.db2.gz DXHXMXJYFBAKMA-VQTJNVASSA-N 0 1 379.439 3.457 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375850 1443089826 /nfs/dbraw/zinc/08/98/26/1443089826.db2.gz DXHXMXJYFBAKMA-VQTJNVASSA-N 0 1 379.439 3.457 20 0 GGADMN COc1cccc(C2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3OC)CC2)c1 ZINC000826215233 1443089838 /nfs/dbraw/zinc/08/98/38/1443089838.db2.gz JSEUHSJAAHWLMS-UHFFFAOYSA-N 0 1 379.464 3.264 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824547493 1443099319 /nfs/dbraw/zinc/09/93/19/1443099319.db2.gz PCYQMSGXEQGIDG-ZFWWWQNUSA-N 0 1 384.434 3.465 20 0 GGADMN COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826190071 1443128808 /nfs/dbraw/zinc/12/88/08/1443128808.db2.gz OVRRYQQGRAJFAH-QWHCGFSZSA-N 0 1 398.467 3.071 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000737641128 1443130793 /nfs/dbraw/zinc/13/07/93/1443130793.db2.gz RTRFGLFTRFXXCP-UHFFFAOYSA-N 0 1 376.505 3.169 20 0 GGADMN CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434811 1443138066 /nfs/dbraw/zinc/13/80/66/1443138066.db2.gz GEFLQYUHPQYRAQ-AWEZNQCLSA-N 0 1 392.442 3.170 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1 ZINC000821860234 1443157302 /nfs/dbraw/zinc/15/73/02/1443157302.db2.gz ZCOVNHPKHNYUIK-CQSZACIVSA-N 0 1 398.898 3.412 20 0 GGADMN Cc1ccccc1C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737421423 1443158554 /nfs/dbraw/zinc/15/85/54/1443158554.db2.gz IKBVVIANCSYDKZ-UHFFFAOYSA-N 0 1 390.491 3.383 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000737030897 1443159076 /nfs/dbraw/zinc/15/90/76/1443159076.db2.gz BJUCIYCULANRGQ-SFHVURJKSA-N 0 1 379.464 3.400 20 0 GGADMN CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825416860 1443159568 /nfs/dbraw/zinc/15/95/68/1443159568.db2.gz MZQQZBBYTZLTFQ-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000737559415 1443194104 /nfs/dbraw/zinc/19/41/04/1443194104.db2.gz WRDMFLQPUAJPBL-LBPRGKRZSA-N 0 1 389.916 3.301 20 0 GGADMN Cc1cc[nH+]c(NC[C@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)c1 ZINC000822374505 1443198236 /nfs/dbraw/zinc/19/82/36/1443198236.db2.gz ZTQNNVUAPNKWQS-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCS1 ZINC000824984547 1443200906 /nfs/dbraw/zinc/20/09/06/1443200906.db2.gz LHEAYCRQODIGOJ-OAHLLOKOSA-N 0 1 381.505 3.383 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000824568706 1443206728 /nfs/dbraw/zinc/20/67/28/1443206728.db2.gz CENUGRVIYFXFLP-MEDUHNTESA-N 0 1 393.369 3.150 20 0 GGADMN FC(F)(F)c1ccc(N2CC[NH+](Cc3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000826368667 1443208434 /nfs/dbraw/zinc/20/84/34/1443208434.db2.gz YGQYUOBNRAEUNN-UHFFFAOYSA-N 0 1 394.426 3.269 20 0 GGADMN C[C@H](Cc1ccccc1Br)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820299371 1443223420 /nfs/dbraw/zinc/22/34/20/1443223420.db2.gz FVFARXUGFVTNIB-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000824571685 1443225365 /nfs/dbraw/zinc/22/53/65/1443225365.db2.gz QYOKLAVCSPSVOM-LRDDRELGSA-N 0 1 392.479 3.206 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000826168291 1443227956 /nfs/dbraw/zinc/22/79/56/1443227956.db2.gz IXKPIXLXYIRURT-FQEVSTJZSA-N 0 1 393.491 3.099 20 0 GGADMN Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000826356397 1443233652 /nfs/dbraw/zinc/23/36/52/1443233652.db2.gz OWPATAGVXDEMRN-NRFANRHFSA-N 0 1 385.475 3.434 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000824103542 1443246240 /nfs/dbraw/zinc/24/62/40/1443246240.db2.gz DUBBEPSIUHGVHD-GOSISDBHSA-N 0 1 398.511 3.233 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000825318253 1443251337 /nfs/dbraw/zinc/25/13/37/1443251337.db2.gz KKWKUKPJZYXXRD-UHFFFAOYSA-N 0 1 388.479 3.168 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000825318253 1443251340 /nfs/dbraw/zinc/25/13/40/1443251340.db2.gz KKWKUKPJZYXXRD-UHFFFAOYSA-N 0 1 388.479 3.168 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000825318253 1443251344 /nfs/dbraw/zinc/25/13/44/1443251344.db2.gz KKWKUKPJZYXXRD-UHFFFAOYSA-N 0 1 388.479 3.168 20 0 GGADMN CC[C@@H](C)[N@H+](Cc1ccccc1-c1nnn[n-]1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825067442 1443266071 /nfs/dbraw/zinc/26/60/71/1443266071.db2.gz JYFXPGHWTUFBDN-CQSZACIVSA-N 0 1 389.463 3.316 20 0 GGADMN CC[C@@H](C)[N@@H+](Cc1ccccc1-c1nn[n-]n1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825067442 1443266075 /nfs/dbraw/zinc/26/60/75/1443266075.db2.gz JYFXPGHWTUFBDN-CQSZACIVSA-N 0 1 389.463 3.316 20 0 GGADMN CC[C@@H](C)[N@H+](Cc1ccccc1-c1nn[n-]n1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825067442 1443266079 /nfs/dbraw/zinc/26/60/79/1443266079.db2.gz JYFXPGHWTUFBDN-CQSZACIVSA-N 0 1 389.463 3.316 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)c2C1 ZINC000824262267 1443272692 /nfs/dbraw/zinc/27/26/92/1443272692.db2.gz YUYOVUVBURVFJB-UHFFFAOYSA-N 0 1 376.464 3.020 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC000826407285 1443286488 /nfs/dbraw/zinc/28/64/88/1443286488.db2.gz HRDLKQSAUOLWJB-QFQMRYFISA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826407285 1443286492 /nfs/dbraw/zinc/28/64/92/1443286492.db2.gz HRDLKQSAUOLWJB-QFQMRYFISA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826407285 1443286496 /nfs/dbraw/zinc/28/64/96/1443286496.db2.gz HRDLKQSAUOLWJB-QFQMRYFISA-N 0 1 388.475 3.373 20 0 GGADMN COc1ccccc1COC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826220560 1443299195 /nfs/dbraw/zinc/29/91/95/1443299195.db2.gz RRTAYNIIHKIHQL-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826180204 1443323284 /nfs/dbraw/zinc/32/32/84/1443323284.db2.gz XKHLGAIQPSCNQL-SNVBAGLBSA-N 0 1 375.379 3.013 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C[C@H](C)O1 ZINC000820758802 1443336835 /nfs/dbraw/zinc/33/68/35/1443336835.db2.gz DELFJGYFIDACMV-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824293494 1443337657 /nfs/dbraw/zinc/33/76/57/1443337657.db2.gz ODWKKHKMXRBVDI-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824293494 1443337659 /nfs/dbraw/zinc/33/76/59/1443337659.db2.gz ODWKKHKMXRBVDI-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(Br)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824293494 1443337663 /nfs/dbraw/zinc/33/76/63/1443337663.db2.gz ODWKKHKMXRBVDI-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN CN(Cc1ccccc1Br)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736829166 1443349755 /nfs/dbraw/zinc/34/97/55/1443349755.db2.gz ZFEXGIKPFPCVRH-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@H+](Cc1ccccc1Br)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736829166 1443349759 /nfs/dbraw/zinc/34/97/59/1443349759.db2.gz ZFEXGIKPFPCVRH-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@@H+](Cc1ccccc1Br)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736829166 1443349763 /nfs/dbraw/zinc/34/97/63/1443349763.db2.gz ZFEXGIKPFPCVRH-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822205995 1443359733 /nfs/dbraw/zinc/35/97/33/1443359733.db2.gz QCULKTUSOBDDJR-QGZVFWFLSA-N 0 1 384.434 3.212 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736134975 1443380936 /nfs/dbraw/zinc/38/09/36/1443380936.db2.gz XFTCGVNRTIYBML-WDEREUQCSA-N 0 1 388.834 3.337 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@H]3CCCc4nc(C)ncc43)c2c1 ZINC000822195658 1443387328 /nfs/dbraw/zinc/38/73/28/1443387328.db2.gz ZRROTSJOKYEDDO-SFHVURJKSA-N 0 1 386.463 3.042 20 0 GGADMN c1ccc([C@H](CNc2c(-c3nnn[n-]3)cnc3ccccc32)[NH+]2CCCC2)cc1 ZINC000738427587 1443389410 /nfs/dbraw/zinc/38/94/10/1443389410.db2.gz XSWYAQWBBATBAI-FQEVSTJZSA-N 0 1 385.475 3.086 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736407602 1443392701 /nfs/dbraw/zinc/39/27/01/1443392701.db2.gz AHFVPJBDPMABGJ-LJQANCHMSA-N 0 1 376.464 3.205 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826181673 1443399800 /nfs/dbraw/zinc/39/98/00/1443399800.db2.gz JWOBVETZJQLAOC-NQIIRXRSSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826181673 1443399802 /nfs/dbraw/zinc/39/98/02/1443399802.db2.gz JWOBVETZJQLAOC-NQIIRXRSSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000826181673 1443399804 /nfs/dbraw/zinc/39/98/04/1443399804.db2.gz JWOBVETZJQLAOC-NQIIRXRSSA-N 0 1 393.491 3.475 20 0 GGADMN CC[NH+](CC)CCCC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000825412874 1443411106 /nfs/dbraw/zinc/41/11/06/1443411106.db2.gz WAKIHFMKHDSXHZ-UHFFFAOYSA-N 0 1 394.527 3.148 20 0 GGADMN OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738395648 1443415910 /nfs/dbraw/zinc/41/59/10/1443415910.db2.gz XTODJKVCYZASKG-UTKZUKDTSA-N 0 1 393.491 3.086 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000826510139 1443420937 /nfs/dbraw/zinc/42/09/37/1443420937.db2.gz ZQRBLALTIFDIDY-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826510139 1443420941 /nfs/dbraw/zinc/42/09/41/1443420941.db2.gz ZQRBLALTIFDIDY-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826510139 1443420943 /nfs/dbraw/zinc/42/09/43/1443420943.db2.gz ZQRBLALTIFDIDY-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC1CCCC1 ZINC000821586404 1443424542 /nfs/dbraw/zinc/42/45/42/1443424542.db2.gz WMUADABHCOQWID-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN Cn1c(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000822595905 1443428294 /nfs/dbraw/zinc/42/82/94/1443428294.db2.gz FFLOGLRNBGVMPL-UHFFFAOYSA-N 0 1 387.369 3.062 20 0 GGADMN C[N@@H+](Cc1csc2ccccc12)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825992096 1443430512 /nfs/dbraw/zinc/43/05/12/1443430512.db2.gz OTIKCMZBUNCOJA-UHFFFAOYSA-N 0 1 375.461 3.361 20 0 GGADMN C[N@H+](Cc1csc2ccccc12)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825992096 1443430514 /nfs/dbraw/zinc/43/05/14/1443430514.db2.gz OTIKCMZBUNCOJA-UHFFFAOYSA-N 0 1 375.461 3.361 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000820758911 1443444176 /nfs/dbraw/zinc/44/41/76/1443444176.db2.gz FTBOUWJZEDGXHY-KXBFYZLASA-N 0 1 389.507 3.073 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820758911 1443444178 /nfs/dbraw/zinc/44/41/78/1443444178.db2.gz FTBOUWJZEDGXHY-KXBFYZLASA-N 0 1 389.507 3.073 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000820758911 1443444180 /nfs/dbraw/zinc/44/41/80/1443444180.db2.gz FTBOUWJZEDGXHY-KXBFYZLASA-N 0 1 389.507 3.073 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000826181672 1443444775 /nfs/dbraw/zinc/44/47/75/1443444775.db2.gz JWOBVETZJQLAOC-GHTZIAJQSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000826181672 1443444777 /nfs/dbraw/zinc/44/47/77/1443444777.db2.gz JWOBVETZJQLAOC-GHTZIAJQSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000826181672 1443444779 /nfs/dbraw/zinc/44/47/79/1443444779.db2.gz JWOBVETZJQLAOC-GHTZIAJQSA-N 0 1 393.491 3.475 20 0 GGADMN CC[NH+](CC)C[C@H](C)NCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736532352 1443446340 /nfs/dbraw/zinc/44/63/40/1443446340.db2.gz BGJVTAFQGFKNAH-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736532352 1443446342 /nfs/dbraw/zinc/44/63/42/1443446342.db2.gz BGJVTAFQGFKNAH-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736532352 1443446343 /nfs/dbraw/zinc/44/63/43/1443446343.db2.gz BGJVTAFQGFKNAH-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN FC(F)(F)c1ccc([C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826368690 1443454676 /nfs/dbraw/zinc/45/46/76/1443454676.db2.gz YVQHTDJANVNEAA-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826368690 1443454679 /nfs/dbraw/zinc/45/46/79/1443454679.db2.gz YVQHTDJANVNEAA-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826368690 1443454682 /nfs/dbraw/zinc/45/46/82/1443454682.db2.gz YVQHTDJANVNEAA-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN COc1ccc(OC)c(C[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C2CC2)c1 ZINC000821841264 1443463717 /nfs/dbraw/zinc/46/37/17/1443463717.db2.gz GKGLIDDOWPOFJX-UHFFFAOYSA-N 0 1 383.427 3.188 20 0 GGADMN Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826312889 1443465177 /nfs/dbraw/zinc/46/51/77/1443465177.db2.gz QSAXICFNQHWDTD-AYHJJNSGSA-N 0 1 375.480 3.178 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597178 1443469633 /nfs/dbraw/zinc/46/96/33/1443469633.db2.gz NDEAXEWBGOAGKX-AEFFLSMTSA-N 0 1 382.512 3.120 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820427474 1443473386 /nfs/dbraw/zinc/47/33/86/1443473386.db2.gz RJDCGXUJEXTBDU-GFCCVEGCSA-N 0 1 395.854 3.463 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570255 1443479224 /nfs/dbraw/zinc/47/92/24/1443479224.db2.gz MOBMWMJAAGBUOV-MGPUTAFESA-N 0 1 389.459 3.110 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000822193432 1443479565 /nfs/dbraw/zinc/47/95/65/1443479565.db2.gz XVWFNEXGKKMSAD-QAPCUYQASA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000822193432 1443479567 /nfs/dbraw/zinc/47/95/67/1443479567.db2.gz XVWFNEXGKKMSAD-QAPCUYQASA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000822193432 1443479568 /nfs/dbraw/zinc/47/95/68/1443479568.db2.gz XVWFNEXGKKMSAD-QAPCUYQASA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@]4(O)CCCC[C@@H]4C3)c2c1 ZINC000822195064 1443491138 /nfs/dbraw/zinc/49/11/38/1443491138.db2.gz FXZUMPGVOJSDLS-VFNWGFHPSA-N 0 1 378.480 3.163 20 0 GGADMN Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000822225274 1443493377 /nfs/dbraw/zinc/49/33/77/1443493377.db2.gz WIQUYPUHHRPAKL-CABCVRRESA-N 0 1 388.479 3.476 20 0 GGADMN COc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000826203547 1443500075 /nfs/dbraw/zinc/50/00/75/1443500075.db2.gz UWGFVSCDQZXSDQ-UHFFFAOYSA-N 0 1 378.461 3.289 20 0 GGADMN CC[N@H+]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825454183 1443502482 /nfs/dbraw/zinc/50/24/82/1443502482.db2.gz ZPGBCYRUSJXPOX-HOTGVXAUSA-N 0 1 387.850 3.302 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3cn4c(cccc4C)n3)c2c1 ZINC000822196500 1443508870 /nfs/dbraw/zinc/50/88/70/1443508870.db2.gz LMSXGXJZOSNGHE-UHFFFAOYSA-N 0 1 384.447 3.022 20 0 GGADMN CC(C)CCCCCC(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820072913 1443510038 /nfs/dbraw/zinc/51/00/38/1443510038.db2.gz NKWQOMUCAYSKKK-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341814 1443513027 /nfs/dbraw/zinc/51/30/27/1443513027.db2.gz KUJOTQPNCVWAME-OAHLLOKOSA-N 0 1 399.520 3.009 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825308075 1443514171 /nfs/dbraw/zinc/51/41/71/1443514171.db2.gz UJYYRYVNGORIJV-UHFFFAOYSA-N 0 1 394.479 3.034 20 0 GGADMN C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000820220326 1443516433 /nfs/dbraw/zinc/51/64/33/1443516433.db2.gz QWRAKBNTYNACGD-MRXNPFEDSA-N 0 1 390.491 3.496 20 0 GGADMN C[C@H](C1CC1)[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000820220326 1443516436 /nfs/dbraw/zinc/51/64/36/1443516436.db2.gz QWRAKBNTYNACGD-MRXNPFEDSA-N 0 1 390.491 3.496 20 0 GGADMN C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000820220326 1443516440 /nfs/dbraw/zinc/51/64/40/1443516440.db2.gz QWRAKBNTYNACGD-MRXNPFEDSA-N 0 1 390.491 3.496 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000822193430 1443517031 /nfs/dbraw/zinc/51/70/31/1443517031.db2.gz XVWFNEXGKKMSAD-CRAIPNDOSA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000822193430 1443517034 /nfs/dbraw/zinc/51/70/34/1443517034.db2.gz XVWFNEXGKKMSAD-CRAIPNDOSA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000822193430 1443517036 /nfs/dbraw/zinc/51/70/36/1443517036.db2.gz XVWFNEXGKKMSAD-CRAIPNDOSA-N 0 1 377.496 3.201 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824984647 1443520758 /nfs/dbraw/zinc/52/07/58/1443520758.db2.gz LRJWICKIAJSYTP-FOIQADDNSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824984647 1443520763 /nfs/dbraw/zinc/52/07/63/1443520763.db2.gz LRJWICKIAJSYTP-FOIQADDNSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824984647 1443520766 /nfs/dbraw/zinc/52/07/66/1443520766.db2.gz LRJWICKIAJSYTP-FOIQADDNSA-N 0 1 380.471 3.006 20 0 GGADMN COC(=O)c1ccc(CC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001139095720 1443522803 /nfs/dbraw/zinc/52/28/03/1443522803.db2.gz FCHKLDRKZNDERP-UHFFFAOYSA-N 0 1 391.475 3.108 20 0 GGADMN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736290007 1443524561 /nfs/dbraw/zinc/52/45/61/1443524561.db2.gz GBWHCMMXYFRXRS-VKJFTORMSA-N 0 1 398.536 3.041 20 0 GGADMN CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736590955 1443529405 /nfs/dbraw/zinc/52/94/05/1443529405.db2.gz MPCQUJJDWSPXEP-FQEVSTJZSA-N 0 1 391.475 3.006 20 0 GGADMN CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736590955 1443529407 /nfs/dbraw/zinc/52/94/07/1443529407.db2.gz MPCQUJJDWSPXEP-FQEVSTJZSA-N 0 1 391.475 3.006 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000822220179 1443530750 /nfs/dbraw/zinc/53/07/50/1443530750.db2.gz HFJVTFCOTSRUQJ-QGZVFWFLSA-N 0 1 399.886 3.253 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736637829 1443538176 /nfs/dbraw/zinc/53/81/76/1443538176.db2.gz RBKRGWMETKJIKX-IBGZPJMESA-N 0 1 392.463 3.041 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736637829 1443538183 /nfs/dbraw/zinc/53/81/83/1443538183.db2.gz RBKRGWMETKJIKX-IBGZPJMESA-N 0 1 392.463 3.041 20 0 GGADMN Fc1ccc(OC2CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822783208 1443539906 /nfs/dbraw/zinc/53/99/06/1443539906.db2.gz ZZWLYNABHCBPIN-UHFFFAOYSA-N 0 1 397.454 3.318 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824961890 1443544783 /nfs/dbraw/zinc/54/47/83/1443544783.db2.gz KMIKNTXLKXMOST-OAHLLOKOSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824961890 1443544785 /nfs/dbraw/zinc/54/47/85/1443544785.db2.gz KMIKNTXLKXMOST-OAHLLOKOSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824961890 1443544787 /nfs/dbraw/zinc/54/47/87/1443544787.db2.gz KMIKNTXLKXMOST-OAHLLOKOSA-N 0 1 377.496 3.279 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@@H]1CCC[C@@H]1O ZINC000825980714 1443546885 /nfs/dbraw/zinc/54/68/85/1443546885.db2.gz HQKYAIYUGGXDFP-FPOVZHCZSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCC[C@@H]1O ZINC000825980714 1443546886 /nfs/dbraw/zinc/54/68/86/1443546886.db2.gz HQKYAIYUGGXDFP-FPOVZHCZSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCC[C@@H]1O ZINC000825980714 1443546887 /nfs/dbraw/zinc/54/68/87/1443546887.db2.gz HQKYAIYUGGXDFP-FPOVZHCZSA-N 0 1 393.491 3.039 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000737033633 1443549549 /nfs/dbraw/zinc/54/95/49/1443549549.db2.gz VSJFPNUETYAMGN-INIZCTEOSA-N 0 1 383.452 3.383 20 0 GGADMN COc1ccccc1N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000826220228 1443549956 /nfs/dbraw/zinc/54/99/56/1443549956.db2.gz GTCZLAKHSZAZJA-AWEZNQCLSA-N 0 1 396.470 3.334 20 0 GGADMN CC[N@H+](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000736512383 1443552219 /nfs/dbraw/zinc/55/22/19/1443552219.db2.gz YLWZEPZHTIVXER-UHFFFAOYSA-N 0 1 387.532 3.317 20 0 GGADMN C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585314 1443557718 /nfs/dbraw/zinc/55/77/18/1443557718.db2.gz PTDHLFPKCGISGA-HUUCEWRRSA-N 0 1 386.500 3.164 20 0 GGADMN COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000826212706 1443564588 /nfs/dbraw/zinc/56/45/88/1443564588.db2.gz YYGYSEBGGPWEKO-GFCCVEGCSA-N 0 1 380.427 3.389 20 0 GGADMN CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825125136 1443567739 /nfs/dbraw/zinc/56/77/39/1443567739.db2.gz AAEKUAMBTWZLPF-MRXNPFEDSA-N 0 1 385.443 3.134 20 0 GGADMN CCc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000736690753 1443568622 /nfs/dbraw/zinc/56/86/22/1443568622.db2.gz MVAYDOIFTRNIIP-UHFFFAOYSA-N 0 1 390.491 3.280 20 0 GGADMN C[C@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000824600241 1443575091 /nfs/dbraw/zinc/57/50/91/1443575091.db2.gz YNTPADHAMLIPRZ-LBPRGKRZSA-N 0 1 375.379 3.198 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820722074 1443575546 /nfs/dbraw/zinc/57/55/46/1443575546.db2.gz FIYJUJQFYQFCEU-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820722074 1443575550 /nfs/dbraw/zinc/57/55/50/1443575550.db2.gz FIYJUJQFYQFCEU-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820722074 1443575552 /nfs/dbraw/zinc/57/55/52/1443575552.db2.gz FIYJUJQFYQFCEU-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)C2)c(F)c1 ZINC000826375402 1443579085 /nfs/dbraw/zinc/57/90/85/1443579085.db2.gz MFULVHMURLPZCO-QFBILLFUSA-N 0 1 396.445 3.391 20 0 GGADMN FC(F)(F)c1cc[nH+]c(N2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822729272 1443589096 /nfs/dbraw/zinc/58/90/96/1443589096.db2.gz ZNABVUAOVIQNLQ-UHFFFAOYSA-N 0 1 390.369 3.328 20 0 GGADMN c1ccc([C@@H]([NH2+]CCOc2ccccc2-c2nn[n-]n2)C2CCOCC2)cc1 ZINC000826520834 1443590810 /nfs/dbraw/zinc/59/08/10/1443590810.db2.gz SJJPNBXADQJPMC-HXUWFJFHSA-N 0 1 379.464 3.003 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826194174 1443599995 /nfs/dbraw/zinc/59/99/95/1443599995.db2.gz DCIFGPNKTBRCNF-LJQANCHMSA-N 0 1 393.491 3.099 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000826182442 1443600529 /nfs/dbraw/zinc/60/05/29/1443600529.db2.gz JTQOQFCSCFZARA-HXUWFJFHSA-N 0 1 393.491 3.099 20 0 GGADMN Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264477 1443603270 /nfs/dbraw/zinc/60/32/70/1443603270.db2.gz PXPLWCOOZXWYLN-NRFANRHFSA-N 0 1 375.476 3.306 20 0 GGADMN C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103467 1443610843 /nfs/dbraw/zinc/61/08/43/1443610843.db2.gz YNBRZOLTDPTEPG-SJCJKPOMSA-N 0 1 384.871 3.000 20 0 GGADMN Fc1cccc(Nc2ccc(CC[NH+]3CCSCC3)cc2)c1-c1nnn[n-]1 ZINC000737664755 1443619632 /nfs/dbraw/zinc/61/96/32/1443619632.db2.gz NUJPPKAHHZSGQL-UHFFFAOYSA-N 0 1 384.484 3.341 20 0 GGADMN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736393393 1443622577 /nfs/dbraw/zinc/62/25/77/1443622577.db2.gz XWKIAJOQBSJDCV-SFHVURJKSA-N 0 1 384.434 3.418 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596829 1443628812 /nfs/dbraw/zinc/62/88/12/1443628812.db2.gz VREGLIKOXJCZKG-GOSISDBHSA-N 0 1 377.427 3.230 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596829 1443628814 /nfs/dbraw/zinc/62/88/14/1443628814.db2.gz VREGLIKOXJCZKG-GOSISDBHSA-N 0 1 377.427 3.230 20 0 GGADMN Brc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000735368103 1443629919 /nfs/dbraw/zinc/62/99/19/1443629919.db2.gz FTNIWTAPDBWOST-HNNXBMFYSA-N 0 1 399.296 3.316 20 0 GGADMN Brc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735368103 1443629921 /nfs/dbraw/zinc/62/99/21/1443629921.db2.gz FTNIWTAPDBWOST-HNNXBMFYSA-N 0 1 399.296 3.316 20 0 GGADMN Brc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000735368103 1443629923 /nfs/dbraw/zinc/62/99/23/1443629923.db2.gz FTNIWTAPDBWOST-HNNXBMFYSA-N 0 1 399.296 3.316 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000735564496 1443632840 /nfs/dbraw/zinc/63/28/40/1443632840.db2.gz XQNYCPCMYFBHTA-AWEZNQCLSA-N 0 1 394.454 3.212 20 0 GGADMN Cc1cccc2c(N[C@H](C)c3ccc([S@@](C)=O)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826304570 1443648716 /nfs/dbraw/zinc/64/87/16/1443648716.db2.gz PYLGEMZTEMTAKC-DBDZUICISA-N 0 1 392.488 3.056 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2NC1=O ZINC000825220252 1443653935 /nfs/dbraw/zinc/65/39/35/1443653935.db2.gz RCFAANRVFSZTJG-VFVRVIDISA-N 0 1 392.463 3.388 20 0 GGADMN COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000821872461 1443679496 /nfs/dbraw/zinc/67/94/96/1443679496.db2.gz NGMBPZWIYOJYND-JKSUJKDBSA-N 0 1 378.480 3.052 20 0 GGADMN O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826507222 1443682497 /nfs/dbraw/zinc/68/24/97/1443682497.db2.gz KREJJUMMJXIXRV-GXTWGEPZSA-N 0 1 395.410 3.255 20 0 GGADMN O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826507222 1443682500 /nfs/dbraw/zinc/68/25/00/1443682500.db2.gz KREJJUMMJXIXRV-GXTWGEPZSA-N 0 1 395.410 3.255 20 0 GGADMN CCOc1ccc(C(=O)C2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001139094217 1443694893 /nfs/dbraw/zinc/69/48/93/1443694893.db2.gz YXMMMISQDGNQDC-UHFFFAOYSA-N 0 1 391.475 3.360 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824906763 1443698028 /nfs/dbraw/zinc/69/80/28/1443698028.db2.gz DXOFENUOKUGHOE-RKVPGOIHSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824539882 1443701462 /nfs/dbraw/zinc/70/14/62/1443701462.db2.gz QMTPRVHULRJBQX-IFXJQAMLSA-N 0 1 391.454 3.374 20 0 GGADMN C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824540291 1443705626 /nfs/dbraw/zinc/70/56/26/1443705626.db2.gz VHHTTWBRYISCPA-IGEOTXOUSA-N 0 1 386.500 3.353 20 0 GGADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853662 1443710119 /nfs/dbraw/zinc/71/01/19/1443710119.db2.gz YCEJCCRZFNWQOB-VQTJNVASSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853662 1443710124 /nfs/dbraw/zinc/71/01/24/1443710124.db2.gz YCEJCCRZFNWQOB-VQTJNVASSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853662 1443710126 /nfs/dbraw/zinc/71/01/26/1443710126.db2.gz YCEJCCRZFNWQOB-VQTJNVASSA-N 0 1 391.475 3.178 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000820413960 1443720820 /nfs/dbraw/zinc/72/08/20/1443720820.db2.gz WJRVLNMCBDZQAN-CABCVRRESA-N 0 1 376.464 3.405 20 0 GGADMN CN(Cc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825976628 1443722536 /nfs/dbraw/zinc/72/25/36/1443722536.db2.gz OCKRZJHZXPFIIC-GOSISDBHSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825976628 1443722539 /nfs/dbraw/zinc/72/25/39/1443722539.db2.gz OCKRZJHZXPFIIC-GOSISDBHSA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825976628 1443722543 /nfs/dbraw/zinc/72/25/43/1443722543.db2.gz OCKRZJHZXPFIIC-GOSISDBHSA-N 0 1 380.471 3.102 20 0 GGADMN CC(C)(C)C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000735593317 1443723747 /nfs/dbraw/zinc/72/37/47/1443723747.db2.gz INSGDOKWUYWARJ-SUMWQHHRSA-N 0 1 398.490 3.011 20 0 GGADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824935367 1443727055 /nfs/dbraw/zinc/72/70/55/1443727055.db2.gz AHKOQYRJOPIDMY-GQIGUUNPSA-N 0 1 394.523 3.039 20 0 GGADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824935367 1443727064 /nfs/dbraw/zinc/72/70/64/1443727064.db2.gz AHKOQYRJOPIDMY-GQIGUUNPSA-N 0 1 394.523 3.039 20 0 GGADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824935367 1443727067 /nfs/dbraw/zinc/72/70/67/1443727067.db2.gz AHKOQYRJOPIDMY-GQIGUUNPSA-N 0 1 394.523 3.039 20 0 GGADMN C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824779416 1443742549 /nfs/dbraw/zinc/74/25/49/1443742549.db2.gz VGVHJHKAKHRCNK-HNNXBMFYSA-N 0 1 389.463 3.281 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824572145 1443745194 /nfs/dbraw/zinc/74/51/94/1443745194.db2.gz TUXTUNUWRYDAGP-FVMDXXJSSA-N 0 1 379.798 3.183 20 0 GGADMN CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000821618924 1443747838 /nfs/dbraw/zinc/74/78/38/1443747838.db2.gz BOMGMJFWRGTUCN-UHFFFAOYSA-N 0 1 389.438 3.459 20 0 GGADMN Clc1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc1-c1nnn[n-]1 ZINC000737572982 1443756086 /nfs/dbraw/zinc/75/60/86/1443756086.db2.gz CFMDTFMLGLCHIZ-UHFFFAOYSA-N 0 1 384.875 3.303 20 0 GGADMN Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccc(-c5nnn[n-]5)c4)C[C@H]3O2)sc1C ZINC001139851523 1443761380 /nfs/dbraw/zinc/76/13/80/1443761380.db2.gz BFYLKGHWZBYANV-CGTJXYLNSA-N 0 1 396.520 3.292 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000826168314 1443766627 /nfs/dbraw/zinc/76/66/27/1443766627.db2.gz JJRFUXSZEDTYRS-IBGZPJMESA-N 0 1 379.464 3.227 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000826168314 1443766628 /nfs/dbraw/zinc/76/66/28/1443766628.db2.gz JJRFUXSZEDTYRS-IBGZPJMESA-N 0 1 379.464 3.227 20 0 GGADMN O[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(Cl)c(F)c1 ZINC000826502689 1443771048 /nfs/dbraw/zinc/77/10/48/1443771048.db2.gz IVWWVYJQAXHPBJ-QZTJIDSGSA-N 0 1 387.846 3.360 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](Cc2ccccn2)C(C)C)c1-c1nnn[n-]1 ZINC000826332389 1443782972 /nfs/dbraw/zinc/78/29/72/1443782972.db2.gz SHEVNZLXYYIIHZ-UHFFFAOYSA-N 0 1 388.479 3.166 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](Cc2ccccn2)C(C)C)c1-c1nnn[n-]1 ZINC000826332389 1443782975 /nfs/dbraw/zinc/78/29/75/1443782975.db2.gz SHEVNZLXYYIIHZ-UHFFFAOYSA-N 0 1 388.479 3.166 20 0 GGADMN C[N@@H+]1Cc2ccc(NC(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cc2C1 ZINC000736866040 1443789618 /nfs/dbraw/zinc/78/96/18/1443789618.db2.gz BRMOZPGGAYGYDU-UHFFFAOYSA-N 0 1 385.884 3.274 20 0 GGADMN C[N@H+]1Cc2ccc(NC(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cc2C1 ZINC000736866040 1443789620 /nfs/dbraw/zinc/78/96/20/1443789620.db2.gz BRMOZPGGAYGYDU-UHFFFAOYSA-N 0 1 385.884 3.274 20 0 GGADMN C[N@@H+]1Cc2ccc(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2C1 ZINC000736866040 1443789622 /nfs/dbraw/zinc/78/96/22/1443789622.db2.gz BRMOZPGGAYGYDU-UHFFFAOYSA-N 0 1 385.884 3.274 20 0 GGADMN C[N@H+]1Cc2ccc(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2C1 ZINC000736866040 1443789624 /nfs/dbraw/zinc/78/96/24/1443789624.db2.gz BRMOZPGGAYGYDU-UHFFFAOYSA-N 0 1 385.884 3.274 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000737559414 1443793649 /nfs/dbraw/zinc/79/36/49/1443793649.db2.gz WRDMFLQPUAJPBL-GFCCVEGCSA-N 0 1 389.916 3.301 20 0 GGADMN COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191640 1443799824 /nfs/dbraw/zinc/79/98/24/1443799824.db2.gz MAIZTXFFHMGOEP-HUUCEWRRSA-N 0 1 381.480 3.413 20 0 GGADMN CCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170611 1443799967 /nfs/dbraw/zinc/79/99/67/1443799967.db2.gz DQAWMBSEFKMCFJ-UHFFFAOYSA-N 0 1 377.496 3.366 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@@H]1CCC[C@H]1O ZINC000825980715 1443805931 /nfs/dbraw/zinc/80/59/31/1443805931.db2.gz HQKYAIYUGGXDFP-PZJWPPBQSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCC[C@H]1O ZINC000825980715 1443805934 /nfs/dbraw/zinc/80/59/34/1443805934.db2.gz HQKYAIYUGGXDFP-PZJWPPBQSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCC[C@H]1O ZINC000825980715 1443805935 /nfs/dbraw/zinc/80/59/35/1443805935.db2.gz HQKYAIYUGGXDFP-PZJWPPBQSA-N 0 1 393.491 3.039 20 0 GGADMN COc1ccc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1OC ZINC000737091183 1443809837 /nfs/dbraw/zinc/80/98/37/1443809837.db2.gz QGQZUFFXHPEVAK-UHFFFAOYSA-N 0 1 376.420 3.069 20 0 GGADMN CS[C@@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821950082 1443813217 /nfs/dbraw/zinc/81/32/17/1443813217.db2.gz KROFYFNPUZGNRK-MWLCHTKSSA-N 0 1 392.435 3.134 20 0 GGADMN CN(CCC[NH+](C)C)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825859110 1443815056 /nfs/dbraw/zinc/81/50/56/1443815056.db2.gz CSFXCJPAMIDEAW-UHFFFAOYSA-N 0 1 396.520 3.042 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c(Cl)c1 ZINC000737649481 1443816092 /nfs/dbraw/zinc/81/60/92/1443816092.db2.gz MTRQQGFAXRBNCC-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c(Cl)c1 ZINC000737649481 1443816094 /nfs/dbraw/zinc/81/60/94/1443816094.db2.gz MTRQQGFAXRBNCC-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821596679 1443818110 /nfs/dbraw/zinc/81/81/10/1443818110.db2.gz RGYXNDLHSZFDKB-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596679 1443818111 /nfs/dbraw/zinc/81/81/11/1443818111.db2.gz RGYXNDLHSZFDKB-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596679 1443818114 /nfs/dbraw/zinc/81/81/14/1443818114.db2.gz RGYXNDLHSZFDKB-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826217155 1443818247 /nfs/dbraw/zinc/81/82/47/1443818247.db2.gz ZUPRGGRZJVIPIR-LSDHHAIUSA-N 0 1 396.470 3.192 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1Br ZINC000826189362 1443820465 /nfs/dbraw/zinc/82/04/65/1443820465.db2.gz UGGVGSDNTAIAJE-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN CC1CC[NH+](CCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736274589 1443845304 /nfs/dbraw/zinc/84/53/04/1443845304.db2.gz AGAFNDMUNCCMMH-UHFFFAOYSA-N 0 1 383.422 3.205 20 0 GGADMN c1csc(-c2n[nH]cc2C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826525995 1443853165 /nfs/dbraw/zinc/85/31/65/1443853165.db2.gz HHSHJHYDOKYKMR-UHFFFAOYSA-N 0 1 377.477 3.483 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000823674916 1443858146 /nfs/dbraw/zinc/85/81/46/1443858146.db2.gz TZUKCVRFUNXMMW-IEBWSBKVSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000823674916 1443858150 /nfs/dbraw/zinc/85/81/50/1443858150.db2.gz TZUKCVRFUNXMMW-IEBWSBKVSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000823674916 1443858155 /nfs/dbraw/zinc/85/81/55/1443858155.db2.gz TZUKCVRFUNXMMW-IEBWSBKVSA-N 0 1 397.479 3.207 20 0 GGADMN S=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000738400252 1443868587 /nfs/dbraw/zinc/86/85/87/1443868587.db2.gz CEDCLISFSNIQDN-INIZCTEOSA-N 0 1 399.568 3.198 20 0 GGADMN S=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000738400252 1443868592 /nfs/dbraw/zinc/86/85/92/1443868592.db2.gz CEDCLISFSNIQDN-INIZCTEOSA-N 0 1 399.568 3.198 20 0 GGADMN S=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000738400252 1443868595 /nfs/dbraw/zinc/86/85/95/1443868595.db2.gz CEDCLISFSNIQDN-INIZCTEOSA-N 0 1 399.568 3.198 20 0 GGADMN Cc1csc([C@@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)CCO2)n1 ZINC000822408966 1443874854 /nfs/dbraw/zinc/87/48/54/1443874854.db2.gz KMEUFHODKOQKIL-HNNXBMFYSA-N 0 1 393.476 3.066 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821616026 1443884068 /nfs/dbraw/zinc/88/40/68/1443884068.db2.gz ZQRDIQZYVCSRLR-UHFFFAOYSA-N 0 1 375.436 3.099 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824578090 1443884197 /nfs/dbraw/zinc/88/41/97/1443884197.db2.gz QOJDIUGZUMKFDJ-UONOGXRCSA-N 0 1 384.434 3.322 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000826310824 1443892788 /nfs/dbraw/zinc/89/27/88/1443892788.db2.gz JJRUNNSAFDROAC-CQSZACIVSA-N 0 1 391.262 3.455 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000824585114 1443895492 /nfs/dbraw/zinc/89/54/92/1443895492.db2.gz NUBONAASSGAWQX-LLVKDONJSA-N 0 1 388.834 3.339 20 0 GGADMN COc1ccccc1[C@@H]1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826219200 1443901359 /nfs/dbraw/zinc/90/13/59/1443901359.db2.gz VQEWDXDTLXGPGN-OAHLLOKOSA-N 0 1 376.464 3.143 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824613271 1443903950 /nfs/dbraw/zinc/90/39/50/1443903950.db2.gz SCPPIXXDKHVNAC-MRXNPFEDSA-N 0 1 390.491 3.344 20 0 GGADMN COC1(C)CC[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826143470 1443910074 /nfs/dbraw/zinc/91/00/74/1443910074.db2.gz AMCZRSGIYXNDGO-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN Cc1cc[nH+]c(N2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311026 1443925060 /nfs/dbraw/zinc/92/50/60/1443925060.db2.gz QMNMEKCNLTZOQM-ROUUACIJSA-N 0 1 378.480 3.443 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736804345 1443930546 /nfs/dbraw/zinc/93/05/46/1443930546.db2.gz KWPYKPUPNXPDDG-UHFFFAOYSA-N 0 1 390.260 3.443 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2F)cc1OC ZINC000826190295 1443935565 /nfs/dbraw/zinc/93/55/65/1443935565.db2.gz WVWAWYNOLIXVQV-MRXNPFEDSA-N 0 1 383.427 3.360 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000825856074 1443948452 /nfs/dbraw/zinc/94/84/52/1443948452.db2.gz MYKRVEZTDBXAOV-UHFFFAOYSA-N 0 1 381.459 3.280 20 0 GGADMN Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)C2)cn1 ZINC000737604653 1443950506 /nfs/dbraw/zinc/95/05/06/1443950506.db2.gz IWIOZLGLAOUPMW-GOSISDBHSA-N 0 1 385.475 3.257 20 0 GGADMN Cn1cc([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)C2)cn1 ZINC000737604653 1443950508 /nfs/dbraw/zinc/95/05/08/1443950508.db2.gz IWIOZLGLAOUPMW-GOSISDBHSA-N 0 1 385.475 3.257 20 0 GGADMN Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)C2)cn1 ZINC000737604653 1443950510 /nfs/dbraw/zinc/95/05/10/1443950510.db2.gz IWIOZLGLAOUPMW-GOSISDBHSA-N 0 1 385.475 3.257 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000821804809 1443957962 /nfs/dbraw/zinc/95/79/62/1443957962.db2.gz PHPFJAXJFBEQEQ-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN Brc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000823832730 1443971802 /nfs/dbraw/zinc/97/18/02/1443971802.db2.gz URDIQHSEQJCMBO-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000823832730 1443971805 /nfs/dbraw/zinc/97/18/05/1443971805.db2.gz URDIQHSEQJCMBO-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000821809911 1443976452 /nfs/dbraw/zinc/97/64/52/1443976452.db2.gz UAEXAXVUUQDIEH-RXVVDRJESA-N 0 1 393.491 3.441 20 0 GGADMN CC1=CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000824853136 1443976918 /nfs/dbraw/zinc/97/69/18/1443976918.db2.gz WTYFBMFBIXNYSX-CYBMUJFWSA-N 0 1 386.525 3.176 20 0 GGADMN CC1=CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000824853136 1443976920 /nfs/dbraw/zinc/97/69/20/1443976920.db2.gz WTYFBMFBIXNYSX-CYBMUJFWSA-N 0 1 386.525 3.176 20 0 GGADMN c1ccc([C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)cc1 ZINC000738425085 1443989020 /nfs/dbraw/zinc/98/90/20/1443989020.db2.gz KFNARRKMDOWACY-SFHVURJKSA-N 0 1 386.463 3.059 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000826182129 1443992392 /nfs/dbraw/zinc/99/23/92/1443992392.db2.gz ARAXOGFWSKJOST-INIZCTEOSA-N 0 1 395.438 3.109 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820704567 1443996705 /nfs/dbraw/zinc/99/67/05/1443996705.db2.gz OQUIENZGNJVEOP-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820704567 1443996707 /nfs/dbraw/zinc/99/67/07/1443996707.db2.gz OQUIENZGNJVEOP-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820704567 1443996710 /nfs/dbraw/zinc/99/67/10/1443996710.db2.gz OQUIENZGNJVEOP-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000737033672 1443997204 /nfs/dbraw/zinc/99/72/04/1443997204.db2.gz WZIOWLOCYFODNI-YOEHRIQHSA-N 0 1 397.454 3.271 20 0 GGADMN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736327340 1443997756 /nfs/dbraw/zinc/99/77/56/1443997756.db2.gz CYAJZUIIDRQJHR-OPAMFIHVSA-N 0 1 395.507 3.332 20 0 GGADMN Cc1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822059602 1443998456 /nfs/dbraw/zinc/99/84/56/1443998456.db2.gz DJYNLOUMFDPQLZ-KRWDZBQOSA-N 0 1 376.464 3.026 20 0 GGADMN Cc1c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822059602 1443998459 /nfs/dbraw/zinc/99/84/59/1443998459.db2.gz DJYNLOUMFDPQLZ-KRWDZBQOSA-N 0 1 376.464 3.026 20 0 GGADMN Cc1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822059602 1443998462 /nfs/dbraw/zinc/99/84/62/1443998462.db2.gz DJYNLOUMFDPQLZ-KRWDZBQOSA-N 0 1 376.464 3.026 20 0 GGADMN COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000821872458 1444003588 /nfs/dbraw/zinc/00/35/88/1444003588.db2.gz NGMBPZWIYOJYND-CVEARBPZSA-N 0 1 378.480 3.052 20 0 GGADMN CC1(C)CN(Cc2ccc(F)cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000736213524 1444012838 /nfs/dbraw/zinc/01/28/38/1444012838.db2.gz JOXOZKWTBWVTMY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CC1(C)CN(Cc2ccc(F)cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000736213524 1444012843 /nfs/dbraw/zinc/01/28/43/1444012843.db2.gz JOXOZKWTBWVTMY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CC1(C)CN(Cc2ccc(F)cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736213524 1444012846 /nfs/dbraw/zinc/01/28/46/1444012846.db2.gz JOXOZKWTBWVTMY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000737240475 1444015010 /nfs/dbraw/zinc/01/50/10/1444015010.db2.gz LEQMXFFVGBOXEO-ZDUSSCGKSA-N 0 1 378.358 3.043 20 0 GGADMN CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821188794 1444016779 /nfs/dbraw/zinc/01/67/79/1444016779.db2.gz CSWABQJRJVBOEI-UHFFFAOYSA-N 0 1 394.479 3.148 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000819826030 1444022363 /nfs/dbraw/zinc/02/23/63/1444022363.db2.gz DBVKBHQNMBUVBP-CQSZACIVSA-N 0 1 396.520 3.409 20 0 GGADMN CC(C)(C)[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000819914344 1444027345 /nfs/dbraw/zinc/02/73/45/1444027345.db2.gz QUXRTOPNJIUTBN-UHFFFAOYSA-N 0 1 385.903 3.165 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC000736133435 1446083855 /nfs/dbraw/zinc/08/38/55/1446083855.db2.gz GWRNPTNXNXKRBI-MGPUTAFESA-N 0 1 379.464 3.103 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826332337 1446092819 /nfs/dbraw/zinc/09/28/19/1446092819.db2.gz QQPVWNZOGCSKEZ-LJQANCHMSA-N 0 1 385.475 3.178 20 0 GGADMN C[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000736229794 1446102162 /nfs/dbraw/zinc/10/21/62/1446102162.db2.gz RZZPUTISFREUPV-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000736229794 1446102164 /nfs/dbraw/zinc/10/21/64/1446102164.db2.gz RZZPUTISFREUPV-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000736229794 1446102165 /nfs/dbraw/zinc/10/21/65/1446102165.db2.gz RZZPUTISFREUPV-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[N@H+]1CCc2ccccc2C1 ZINC000735671153 1446113743 /nfs/dbraw/zinc/11/37/43/1446113743.db2.gz POVSWPVKGPQWCM-UHFFFAOYSA-N 0 1 383.887 3.164 20 0 GGADMN CC(C)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000735671153 1446113744 /nfs/dbraw/zinc/11/37/44/1446113744.db2.gz POVSWPVKGPQWCM-UHFFFAOYSA-N 0 1 383.887 3.164 20 0 GGADMN CC(C)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[N@H+]1CCc2ccccc2C1 ZINC000735671153 1446113747 /nfs/dbraw/zinc/11/37/47/1446113747.db2.gz POVSWPVKGPQWCM-UHFFFAOYSA-N 0 1 383.887 3.164 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000737033133 1446120973 /nfs/dbraw/zinc/12/09/73/1446120973.db2.gz QZBKUMURXIKJJK-UHFFFAOYSA-N 0 1 379.464 3.227 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193134 1446138417 /nfs/dbraw/zinc/13/84/17/1446138417.db2.gz KSVLMIFLYBXKNA-JXFKEZNVSA-N 0 1 394.523 3.135 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825193134 1446138420 /nfs/dbraw/zinc/13/84/20/1446138420.db2.gz KSVLMIFLYBXKNA-JXFKEZNVSA-N 0 1 394.523 3.135 20 0 GGADMN C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420492 1446147895 /nfs/dbraw/zinc/14/78/95/1446147895.db2.gz RTRGQYZFKLCKLG-MRXNPFEDSA-N 0 1 390.491 3.070 20 0 GGADMN c1cnn(Cc2ccccc2C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826522268 1446148853 /nfs/dbraw/zinc/14/88/53/1446148853.db2.gz UEGXFDYKLFPEOP-NRFANRHFSA-N 0 1 385.475 3.279 20 0 GGADMN C(=Cc1ccccc1)C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823861274 1446149685 /nfs/dbraw/zinc/14/96/85/1446149685.db2.gz CEBFSCGPKLBJRS-QPJJXVBHSA-N 0 1 376.464 3.255 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820412853 1446152178 /nfs/dbraw/zinc/15/21/78/1446152178.db2.gz MWZMEFSRZHWOQY-KBPBESRZSA-N 0 1 378.436 3.235 20 0 GGADMN O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738049867 1446162478 /nfs/dbraw/zinc/16/24/78/1446162478.db2.gz LVPYTLSQLYYRBR-GOSISDBHSA-N 0 1 383.500 3.033 20 0 GGADMN O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738049867 1446162487 /nfs/dbraw/zinc/16/24/87/1446162487.db2.gz LVPYTLSQLYYRBR-GOSISDBHSA-N 0 1 383.500 3.033 20 0 GGADMN O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738049867 1446162491 /nfs/dbraw/zinc/16/24/91/1446162491.db2.gz LVPYTLSQLYYRBR-GOSISDBHSA-N 0 1 383.500 3.033 20 0 GGADMN COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000821708388 1446162943 /nfs/dbraw/zinc/16/29/43/1446162943.db2.gz OMKXLMKLZBJOQI-SNVBAGLBSA-N 0 1 393.369 3.467 20 0 GGADMN COc1ccc(OC)c(C[N@@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000826211228 1446166898 /nfs/dbraw/zinc/16/68/98/1446166898.db2.gz UQMDGTXWPDWJCP-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824593956 1446168451 /nfs/dbraw/zinc/16/84/51/1446168451.db2.gz UYROIUCSWPGSND-AWEZNQCLSA-N 0 1 375.436 3.200 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000824572365 1446176001 /nfs/dbraw/zinc/17/60/01/1446176001.db2.gz UDLFYMMGRJIESQ-VFNWGFHPSA-N 0 1 386.459 3.313 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613619 1446204776 /nfs/dbraw/zinc/20/47/76/1446204776.db2.gz VVHUHWZLRSBAAO-VIFPVBQESA-N 0 1 377.221 3.014 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000826371540 1446210098 /nfs/dbraw/zinc/21/00/98/1446210098.db2.gz KGQMJQRTOBEYEX-ACDBMABISA-N 0 1 392.482 3.291 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CCN(Cc2ccccc2)CC1 ZINC000736818895 1446213986 /nfs/dbraw/zinc/21/39/86/1446213986.db2.gz DCOIZDVZMJXIGY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C1CCN(Cc2ccccc2)CC1 ZINC000736818895 1446213988 /nfs/dbraw/zinc/21/39/88/1446213988.db2.gz DCOIZDVZMJXIGY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C1CCN(Cc2ccccc2)CC1 ZINC000736818895 1446213990 /nfs/dbraw/zinc/21/39/90/1446213990.db2.gz DCOIZDVZMJXIGY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN FC(F)(F)C1(C(F)(F)F)CC[N@H+](CCOc2ccccc2-c2nnn[n-]2)C1 ZINC000737626003 1446241922 /nfs/dbraw/zinc/24/19/22/1446241922.db2.gz FBGXRQZNGIZZBS-UHFFFAOYSA-N 0 1 395.307 3.062 20 0 GGADMN FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2-c2nnn[n-]2)C1 ZINC000737626003 1446241925 /nfs/dbraw/zinc/24/19/25/1446241925.db2.gz FBGXRQZNGIZZBS-UHFFFAOYSA-N 0 1 395.307 3.062 20 0 GGADMN CC[C@H]1[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001139090500 1446251864 /nfs/dbraw/zinc/25/18/64/1446251864.db2.gz IQVHHXYHDXTUNL-KNQAVFIVSA-N 0 1 394.523 3.012 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736903306 1446255394 /nfs/dbraw/zinc/25/53/94/1446255394.db2.gz ZLLGAIMLUNRTFU-AEFFLSMTSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000736903306 1446255398 /nfs/dbraw/zinc/25/53/98/1446255398.db2.gz ZLLGAIMLUNRTFU-AEFFLSMTSA-N 0 1 397.866 3.224 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000819867414 1446269396 /nfs/dbraw/zinc/26/93/96/1446269396.db2.gz RRXIJCFFTDFIQG-XJKSGUPXSA-N 0 1 396.882 3.164 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000819867414 1446269398 /nfs/dbraw/zinc/26/93/98/1446269398.db2.gz RRXIJCFFTDFIQG-XJKSGUPXSA-N 0 1 396.882 3.164 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000822015318 1446277334 /nfs/dbraw/zinc/27/73/34/1446277334.db2.gz IBXMNHBXMPDCNI-WBVHZDCISA-N 0 1 397.527 3.213 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC000822015318 1446277336 /nfs/dbraw/zinc/27/73/36/1446277336.db2.gz IBXMNHBXMPDCNI-WBVHZDCISA-N 0 1 397.527 3.213 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824571808 1446282645 /nfs/dbraw/zinc/28/26/45/1446282645.db2.gz RYIRLZXVTBRKOQ-FOIQADDNSA-N 0 1 395.507 3.360 20 0 GGADMN C[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824772994 1446303232 /nfs/dbraw/zinc/30/32/32/1446303232.db2.gz XLJWFUZLKUUTQL-ZDUSSCGKSA-N 0 1 388.928 3.460 20 0 GGADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917152 1446306048 /nfs/dbraw/zinc/30/60/48/1446306048.db2.gz MEVIBNZYDKJHHP-QVKFZJNVSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917152 1446306051 /nfs/dbraw/zinc/30/60/51/1446306051.db2.gz MEVIBNZYDKJHHP-QVKFZJNVSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917152 1446306055 /nfs/dbraw/zinc/30/60/55/1446306055.db2.gz MEVIBNZYDKJHHP-QVKFZJNVSA-N 0 1 377.496 3.279 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CC[NH+](CCCc2ccsc2)CC1 ZINC000826456163 1446316044 /nfs/dbraw/zinc/31/60/44/1446316044.db2.gz SPFAIZZCOLVBNR-UHFFFAOYSA-N 0 1 396.520 3.212 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736294966 1446342711 /nfs/dbraw/zinc/34/27/11/1446342711.db2.gz TVPATYKHWHHUMJ-QINHECLXSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736294966 1446342716 /nfs/dbraw/zinc/34/27/16/1446342716.db2.gz TVPATYKHWHHUMJ-QINHECLXSA-N 0 1 379.464 3.096 20 0 GGADMN CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439751 1446356884 /nfs/dbraw/zinc/35/68/84/1446356884.db2.gz MVFNNFDONWBKIY-OAHLLOKOSA-N 0 1 388.479 3.245 20 0 GGADMN C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537802 1446370230 /nfs/dbraw/zinc/37/02/30/1446370230.db2.gz GIZSLPZKOIJWAV-RBZFPXEDSA-N 0 1 377.448 3.440 20 0 GGADMN COc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826202442 1446376317 /nfs/dbraw/zinc/37/63/17/1446376317.db2.gz ZWJANUSRIIZWIL-GOSISDBHSA-N 0 1 395.463 3.048 20 0 GGADMN C[NH+](C)CCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736759156 1446387566 /nfs/dbraw/zinc/38/75/66/1446387566.db2.gz OIWVFTJWWJCFGF-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000821731371 1446390085 /nfs/dbraw/zinc/39/00/85/1446390085.db2.gz BPIIWDFFDQKNNU-UHFFFAOYSA-N 0 1 378.480 3.108 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000821731371 1446390089 /nfs/dbraw/zinc/39/00/89/1446390089.db2.gz BPIIWDFFDQKNNU-UHFFFAOYSA-N 0 1 378.480 3.108 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737546604 1446410836 /nfs/dbraw/zinc/41/08/36/1446410836.db2.gz DMEQCNYQOBVGSK-JDFRZJQESA-N 0 1 394.479 3.282 20 0 GGADMN c1cc2cccc(C[N@@H+]3CCCN(Cc4ccc(-c5nn[n-]n5)cc4)CC3)c2[nH]1 ZINC000826515962 1446414952 /nfs/dbraw/zinc/41/49/52/1446414952.db2.gz RCGDZZXDQDNSGG-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2cccc(C[N@H+]3CCCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)c2[nH]1 ZINC000826515962 1446414954 /nfs/dbraw/zinc/41/49/54/1446414954.db2.gz RCGDZZXDQDNSGG-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2cccc(C[N@@H+]3CCCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)c2[nH]1 ZINC000826515962 1446414956 /nfs/dbraw/zinc/41/49/56/1446414956.db2.gz RCGDZZXDQDNSGG-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2cccc(CN3CCC[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)CC3)c2[nH]1 ZINC000826515962 1446414961 /nfs/dbraw/zinc/41/49/61/1446414961.db2.gz RCGDZZXDQDNSGG-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2cccc(CN3CCC[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)CC3)c2[nH]1 ZINC000826515962 1446414963 /nfs/dbraw/zinc/41/49/63/1446414963.db2.gz RCGDZZXDQDNSGG-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000821891143 1446422831 /nfs/dbraw/zinc/42/28/31/1446422831.db2.gz WJYNIZJAAXQSFI-OAHLLOKOSA-N 0 1 376.464 3.191 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000821891143 1446422839 /nfs/dbraw/zinc/42/28/39/1446422839.db2.gz WJYNIZJAAXQSFI-OAHLLOKOSA-N 0 1 376.464 3.191 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000821891143 1446422841 /nfs/dbraw/zinc/42/28/41/1446422841.db2.gz WJYNIZJAAXQSFI-OAHLLOKOSA-N 0 1 376.464 3.191 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820241887 1446448757 /nfs/dbraw/zinc/44/87/57/1446448757.db2.gz JOPOPNSEQFCMLV-CQSZACIVSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820241887 1446448760 /nfs/dbraw/zinc/44/87/60/1446448760.db2.gz JOPOPNSEQFCMLV-CQSZACIVSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820241887 1446448761 /nfs/dbraw/zinc/44/87/61/1446448761.db2.gz JOPOPNSEQFCMLV-CQSZACIVSA-N 0 1 397.458 3.038 20 0 GGADMN CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736535597 1446451851 /nfs/dbraw/zinc/45/18/51/1446451851.db2.gz ZBJAZNOKCGRGQY-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000824412980 1446456102 /nfs/dbraw/zinc/45/61/02/1446456102.db2.gz IBTYRCYSUUDCIU-OXJNMPFZSA-N 0 1 390.491 3.098 20 0 GGADMN C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824407225 1446473086 /nfs/dbraw/zinc/47/30/86/1446473086.db2.gz VTOUSYOQHGTGHX-MGPUTAFESA-N 0 1 381.455 3.400 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1-c1nnn[n-]1)c1ccco1 ZINC000823674029 1446476170 /nfs/dbraw/zinc/47/61/70/1446476170.db2.gz OZAACRDUMBTUDR-LJQANCHMSA-N 0 1 393.422 3.335 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000822193433 1446479370 /nfs/dbraw/zinc/47/93/70/1446479370.db2.gz XVWFNEXGKKMSAD-YJBOKZPZSA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000822193433 1446479373 /nfs/dbraw/zinc/47/93/73/1446479373.db2.gz XVWFNEXGKKMSAD-YJBOKZPZSA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000822193433 1446479374 /nfs/dbraw/zinc/47/93/74/1446479374.db2.gz XVWFNEXGKKMSAD-YJBOKZPZSA-N 0 1 377.496 3.201 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964886 1446479790 /nfs/dbraw/zinc/47/97/90/1446479790.db2.gz RZAADBQTERSYSL-GOSISDBHSA-N 0 1 390.491 3.150 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964886 1446479794 /nfs/dbraw/zinc/47/97/94/1446479794.db2.gz RZAADBQTERSYSL-GOSISDBHSA-N 0 1 390.491 3.150 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964886 1446479796 /nfs/dbraw/zinc/47/97/96/1446479796.db2.gz RZAADBQTERSYSL-GOSISDBHSA-N 0 1 390.491 3.150 20 0 GGADMN c1ccc2cc(CN3CC[NH+](Cc4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC001139094755 1446489971 /nfs/dbraw/zinc/48/99/71/1446489971.db2.gz HMLUCPMHTKXBBR-UHFFFAOYSA-N 0 1 384.487 3.338 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824571347 1446491568 /nfs/dbraw/zinc/49/15/68/1446491568.db2.gz QCJULBIYSVKFPD-BDJLRTHQSA-N 0 1 393.369 3.150 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1Cl ZINC000824544858 1446500576 /nfs/dbraw/zinc/50/05/76/1446500576.db2.gz ADEYPWVNNUMHOS-UGSOOPFHSA-N 0 1 396.882 3.366 20 0 GGADMN c1ccc2c(CN3CCC[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502906 /nfs/dbraw/zinc/50/29/06/1446502906.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(C[N@H+]3CCCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502908 /nfs/dbraw/zinc/50/29/08/1446502908.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(C[N@@H+]3CCCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502911 /nfs/dbraw/zinc/50/29/11/1446502911.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(CN3CCC[N@H+](Cc4ccc(-c5nn[n-]n5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502913 /nfs/dbraw/zinc/50/29/13/1446502913.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(CN3CCC[N@@H+](Cc4ccc(-c5nn[n-]n5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502914 /nfs/dbraw/zinc/50/29/14/1446502914.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(C[N@H+]3CCCN(Cc4ccc(-c5nn[n-]n5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502917 /nfs/dbraw/zinc/50/29/17/1446502917.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1ccc2c(C[N@@H+]3CCCN(Cc4ccc(-c5nn[n-]n5)cc4)CC3)ccnc2c1 ZINC000826522545 1446502918 /nfs/dbraw/zinc/50/29/18/1446502918.db2.gz GFERHMTYPZDWIK-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820561954 1446513506 /nfs/dbraw/zinc/51/35/06/1446513506.db2.gz CBZCXYUXZYVLAB-GFCCVEGCSA-N 0 1 386.406 3.167 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820561954 1446513511 /nfs/dbraw/zinc/51/35/11/1446513511.db2.gz CBZCXYUXZYVLAB-GFCCVEGCSA-N 0 1 386.406 3.167 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820561954 1446513514 /nfs/dbraw/zinc/51/35/14/1446513514.db2.gz CBZCXYUXZYVLAB-GFCCVEGCSA-N 0 1 386.406 3.167 20 0 GGADMN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)OC(C)(C)C ZINC000824569198 1446516463 /nfs/dbraw/zinc/51/64/63/1446516463.db2.gz GIFOYJSFJJGSPU-WBMJQRKESA-N 0 1 392.479 3.206 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1-c1nn[n-]n1 ZINC000826202771 1446532143 /nfs/dbraw/zinc/53/21/43/1446532143.db2.gz MKONQWKGEYLSMH-HNNXBMFYSA-N 0 1 388.475 3.312 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820427559 1446548982 /nfs/dbraw/zinc/54/89/82/1446548982.db2.gz SXFZGTWDVPCYPG-LBPRGKRZSA-N 0 1 395.854 3.463 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825413246 1446550908 /nfs/dbraw/zinc/55/09/08/1446550908.db2.gz ZJXONLPWJNOQOP-UHFFFAOYSA-N 0 1 376.555 3.334 20 0 GGADMN Fc1cc(F)cc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826372756 1446555886 /nfs/dbraw/zinc/55/58/86/1446555886.db2.gz KOLXRSUXZQVMAW-UHFFFAOYSA-N 0 1 386.406 3.020 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234822 1446573640 /nfs/dbraw/zinc/57/36/40/1446573640.db2.gz IMDNPGAFWQWLOT-HXUWFJFHSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234822 1446573644 /nfs/dbraw/zinc/57/36/44/1446573644.db2.gz IMDNPGAFWQWLOT-HXUWFJFHSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234822 1446573651 /nfs/dbraw/zinc/57/36/51/1446573651.db2.gz IMDNPGAFWQWLOT-HXUWFJFHSA-N 0 1 390.491 3.211 20 0 GGADMN Clc1nsc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1-c1nnn[n-]1 ZINC000737584550 1446582101 /nfs/dbraw/zinc/58/21/01/1446582101.db2.gz RXBFSTQIYYNAQZ-GFCCVEGCSA-N 0 1 381.937 3.433 20 0 GGADMN Clc1nsc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1-c1nn[n-]n1 ZINC000737584550 1446582108 /nfs/dbraw/zinc/58/21/08/1446582108.db2.gz RXBFSTQIYYNAQZ-GFCCVEGCSA-N 0 1 381.937 3.433 20 0 GGADMN Clc1nsc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1-c1nn[n-]n1 ZINC000737584550 1446582111 /nfs/dbraw/zinc/58/21/11/1446582111.db2.gz RXBFSTQIYYNAQZ-GFCCVEGCSA-N 0 1 381.937 3.433 20 0 GGADMN O[C@H](C[NH+]1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503148 1446594362 /nfs/dbraw/zinc/59/43/62/1446594362.db2.gz RMFUKHKRZZFWFG-GOSISDBHSA-N 0 1 399.882 3.097 20 0 GGADMN C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976282 1446598109 /nfs/dbraw/zinc/59/81/09/1446598109.db2.gz IKSOLAKUJZCNAD-UHFFFAOYSA-N 0 1 393.882 3.397 20 0 GGADMN C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976282 1446598114 /nfs/dbraw/zinc/59/81/14/1446598114.db2.gz IKSOLAKUJZCNAD-UHFFFAOYSA-N 0 1 393.882 3.397 20 0 GGADMN CCc1ccc(C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821486269 1446602429 /nfs/dbraw/zinc/60/24/29/1446602429.db2.gz BBUUFFIGNFULDP-UHFFFAOYSA-N 0 1 390.491 3.422 20 0 GGADMN CCc1ccc(C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821486269 1446602433 /nfs/dbraw/zinc/60/24/33/1446602433.db2.gz BBUUFFIGNFULDP-UHFFFAOYSA-N 0 1 390.491 3.422 20 0 GGADMN CCc1ccc(C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821486269 1446602437 /nfs/dbraw/zinc/60/24/37/1446602437.db2.gz BBUUFFIGNFULDP-UHFFFAOYSA-N 0 1 390.491 3.422 20 0 GGADMN CCc1ccc2c(C[NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2c1 ZINC000821486397 1446605788 /nfs/dbraw/zinc/60/57/88/1446605788.db2.gz FNGFFJAATGCOPZ-ZDUSSCGKSA-N 0 1 375.432 3.386 20 0 GGADMN COCC[N@@H+](CCOc1ccc(SC)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821690017 1446615519 /nfs/dbraw/zinc/61/55/19/1446615519.db2.gz WCGOMWYVEMRFJK-UHFFFAOYSA-N 0 1 399.520 3.116 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000826244157 1446621018 /nfs/dbraw/zinc/62/10/18/1446621018.db2.gz IRMBHGHNQJCNHL-KRWDZBQOSA-N 0 1 396.539 3.292 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000826244157 1446621020 /nfs/dbraw/zinc/62/10/20/1446621020.db2.gz IRMBHGHNQJCNHL-KRWDZBQOSA-N 0 1 396.539 3.292 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000826244157 1446621022 /nfs/dbraw/zinc/62/10/22/1446621022.db2.gz IRMBHGHNQJCNHL-KRWDZBQOSA-N 0 1 396.539 3.292 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680725 1446632062 /nfs/dbraw/zinc/63/20/62/1446632062.db2.gz AGUQTRUOAXSBDT-GGAORHGYSA-N 0 1 389.503 3.270 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680725 1446632066 /nfs/dbraw/zinc/63/20/66/1446632066.db2.gz AGUQTRUOAXSBDT-GGAORHGYSA-N 0 1 389.503 3.270 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680725 1446632073 /nfs/dbraw/zinc/63/20/73/1446632073.db2.gz AGUQTRUOAXSBDT-GGAORHGYSA-N 0 1 389.503 3.270 20 0 GGADMN Fc1c(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cccc1-c1nnn[n-]1 ZINC000826371103 1446632905 /nfs/dbraw/zinc/63/29/05/1446632905.db2.gz SMQNEUCAZVEBKX-MRXNPFEDSA-N 0 1 381.411 3.114 20 0 GGADMN Fc1c(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cccc1-c1nnn[n-]1 ZINC000826371103 1446632910 /nfs/dbraw/zinc/63/29/10/1446632910.db2.gz SMQNEUCAZVEBKX-MRXNPFEDSA-N 0 1 381.411 3.114 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[NH+]3CCC(C4CCCC4)CC3)o2)c1 ZINC000823738221 1446649550 /nfs/dbraw/zinc/64/95/50/1446649550.db2.gz QVUHKIMFYHFDCP-UHFFFAOYSA-N 0 1 379.468 3.319 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554250 1446654475 /nfs/dbraw/zinc/65/44/75/1446654475.db2.gz OAVBPXMVSIEZPC-OCCSQVGLSA-N 0 1 377.489 3.101 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000826182130 1446665866 /nfs/dbraw/zinc/66/58/66/1446665866.db2.gz ARAXOGFWSKJOST-MRXNPFEDSA-N 0 1 395.438 3.109 20 0 GGADMN Cc1cccc(C[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC(C)C)c1 ZINC000826298077 1446673133 /nfs/dbraw/zinc/67/31/33/1446673133.db2.gz CIMIWVQIYJEZAJ-UHFFFAOYSA-N 0 1 375.480 3.481 20 0 GGADMN Cc1cccc(C[N@@H+](Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC(C)C)c1 ZINC000826298077 1446673139 /nfs/dbraw/zinc/67/31/39/1446673139.db2.gz CIMIWVQIYJEZAJ-UHFFFAOYSA-N 0 1 375.480 3.481 20 0 GGADMN Cc1cccc(C[N@H+](Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC(C)C)c1 ZINC000826298077 1446673145 /nfs/dbraw/zinc/67/31/45/1446673145.db2.gz CIMIWVQIYJEZAJ-UHFFFAOYSA-N 0 1 375.480 3.481 20 0 GGADMN c1cc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc(C[NH+]2CCCC2)c1 ZINC000826516225 1446691179 /nfs/dbraw/zinc/69/11/79/1446691179.db2.gz BLICTUXJCJROES-UHFFFAOYSA-N 0 1 389.507 3.348 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736352669 1446695174 /nfs/dbraw/zinc/69/51/74/1446695174.db2.gz UUXXYACXYDFPSG-LJQANCHMSA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736352669 1446695177 /nfs/dbraw/zinc/69/51/77/1446695177.db2.gz UUXXYACXYDFPSG-LJQANCHMSA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736352669 1446695181 /nfs/dbraw/zinc/69/51/81/1446695181.db2.gz UUXXYACXYDFPSG-LJQANCHMSA-N 0 1 378.480 3.148 20 0 GGADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000738436916 1446706345 /nfs/dbraw/zinc/70/63/45/1446706345.db2.gz LJAPOLVGHJMYAS-INIZCTEOSA-N 0 1 392.511 3.267 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000738436916 1446706351 /nfs/dbraw/zinc/70/63/51/1446706351.db2.gz LJAPOLVGHJMYAS-INIZCTEOSA-N 0 1 392.511 3.267 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000738436916 1446706356 /nfs/dbraw/zinc/70/63/56/1446706356.db2.gz LJAPOLVGHJMYAS-INIZCTEOSA-N 0 1 392.511 3.267 20 0 GGADMN c1cc(OCCC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)c1 ZINC000823762405 1446712734 /nfs/dbraw/zinc/71/27/34/1446712734.db2.gz OFRXIHKEBRHMFD-GOSISDBHSA-N 0 1 393.447 3.201 20 0 GGADMN O=c1[nH]c2ccccc2cc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738401480 1446717378 /nfs/dbraw/zinc/71/73/78/1446717378.db2.gz SYRKCKMIZJVDIS-UHFFFAOYSA-N 0 1 392.488 3.144 20 0 GGADMN Cc1ccc([C@H](C)N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822228729 1446730228 /nfs/dbraw/zinc/73/02/28/1446730228.db2.gz DINASNSLVAMOAH-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccc([C@H](C)[N@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822228729 1446730231 /nfs/dbraw/zinc/73/02/31/1446730231.db2.gz DINASNSLVAMOAH-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822228729 1446730233 /nfs/dbraw/zinc/73/02/33/1446730233.db2.gz DINASNSLVAMOAH-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000826168682 1446744966 /nfs/dbraw/zinc/74/49/66/1446744966.db2.gz VDILJOPSWVMGBX-QEEYODRMSA-N 0 1 379.464 3.226 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000826168682 1446744968 /nfs/dbraw/zinc/74/49/68/1446744968.db2.gz VDILJOPSWVMGBX-QEEYODRMSA-N 0 1 379.464 3.226 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139854521 1446750352 /nfs/dbraw/zinc/75/03/52/1446750352.db2.gz MMXOMYUJVMAVBB-IAGOWNOFSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139854521 1446750355 /nfs/dbraw/zinc/75/03/55/1446750355.db2.gz MMXOMYUJVMAVBB-IAGOWNOFSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001139854521 1446750356 /nfs/dbraw/zinc/75/03/56/1446750356.db2.gz MMXOMYUJVMAVBB-IAGOWNOFSA-N 0 1 386.500 3.134 20 0 GGADMN C[C@H]([NH2+]CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1-n1cccn1 ZINC000824594299 1446768594 /nfs/dbraw/zinc/76/85/94/1446768594.db2.gz ZZBIDCQHTDNWGH-INIZCTEOSA-N 0 1 389.463 3.172 20 0 GGADMN CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736571410 1446771104 /nfs/dbraw/zinc/77/11/04/1446771104.db2.gz QKOKBIJSVCRBBP-SFHVURJKSA-N 0 1 392.463 3.472 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736571410 1446771107 /nfs/dbraw/zinc/77/11/07/1446771107.db2.gz QKOKBIJSVCRBBP-SFHVURJKSA-N 0 1 392.463 3.472 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000826168322 1446772374 /nfs/dbraw/zinc/77/23/74/1446772374.db2.gz JPDKSMLXJYOLMZ-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000826168322 1446772379 /nfs/dbraw/zinc/77/23/79/1446772379.db2.gz JPDKSMLXJYOLMZ-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000826168322 1446772382 /nfs/dbraw/zinc/77/23/82/1446772382.db2.gz JPDKSMLXJYOLMZ-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN Cc1cccc([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295888 1446782919 /nfs/dbraw/zinc/78/29/19/1446782919.db2.gz BUXLQQJTJGIZCA-INIZCTEOSA-N 0 1 387.491 3.469 20 0 GGADMN C[NH+](C)[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821581057 1446828294 /nfs/dbraw/zinc/82/82/94/1446828294.db2.gz BLVPVYNKQFJUBL-GOSISDBHSA-N 0 1 377.427 3.269 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC12CC[NH+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001139094258 1446834622 /nfs/dbraw/zinc/83/46/22/1446834622.db2.gz BJSOAWVAPHGEJZ-KRWDZBQOSA-N 0 1 398.511 3.136 20 0 GGADMN CCC[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000825323155 1446837518 /nfs/dbraw/zinc/83/75/18/1446837518.db2.gz PSXMJBLAMACQOT-CQSZACIVSA-N 0 1 382.443 3.245 20 0 GGADMN CCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000825323155 1446837520 /nfs/dbraw/zinc/83/75/20/1446837520.db2.gz PSXMJBLAMACQOT-CQSZACIVSA-N 0 1 382.443 3.245 20 0 GGADMN CCOCCC1(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCC1 ZINC000825590288 1446855621 /nfs/dbraw/zinc/85/56/21/1446855621.db2.gz SHFXDTOCPLUOHY-UHFFFAOYSA-N 0 1 398.555 3.018 20 0 GGADMN C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c2ccccc21 ZINC000820690192 1446862388 /nfs/dbraw/zinc/86/23/88/1446862388.db2.gz HHKBTKUAENQGFZ-FOIQADDNSA-N 0 1 389.507 3.459 20 0 GGADMN FC(F)(F)c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723239 1446865208 /nfs/dbraw/zinc/86/52/08/1446865208.db2.gz AWJZURQFBMXVSY-CQSZACIVSA-N 0 1 380.418 3.340 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1-c1nn[n-]n1 ZINC000821707927 1446890320 /nfs/dbraw/zinc/89/03/20/1446890320.db2.gz IDCHTKAEZAKAHL-CYBMUJFWSA-N 0 1 383.452 3.052 20 0 GGADMN CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825721856 1446893193 /nfs/dbraw/zinc/89/31/93/1446893193.db2.gz BFJKQOMVNRMRQJ-HNNXBMFYSA-N 0 1 390.491 3.425 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000826274236 1446896191 /nfs/dbraw/zinc/89/61/91/1446896191.db2.gz KXHPAVHOYRRFCA-ICSRJNTNSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000826274236 1446896194 /nfs/dbraw/zinc/89/61/94/1446896194.db2.gz KXHPAVHOYRRFCA-ICSRJNTNSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000826274236 1446896201 /nfs/dbraw/zinc/89/62/01/1446896201.db2.gz KXHPAVHOYRRFCA-ICSRJNTNSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](Cc2ccc(C)c(C)c2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822237157 1446923167 /nfs/dbraw/zinc/92/31/67/1446923167.db2.gz HQFVKJAAPZBNLB-UHFFFAOYSA-N 0 1 394.479 3.296 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C)c(C)c2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822237157 1446923170 /nfs/dbraw/zinc/92/31/70/1446923170.db2.gz HQFVKJAAPZBNLB-UHFFFAOYSA-N 0 1 394.479 3.296 20 0 GGADMN COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)CCN2C2CC2)c1 ZINC000826215114 1446929598 /nfs/dbraw/zinc/92/95/98/1446929598.db2.gz HKBURSZYECVZJP-OALUTQOASA-N 0 1 396.520 3.004 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000737030817 1446930906 /nfs/dbraw/zinc/93/09/06/1446930906.db2.gz AIQJGWXHRBDQDH-UHFFFAOYSA-N 0 1 391.834 3.179 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000737030817 1446930908 /nfs/dbraw/zinc/93/09/08/1446930908.db2.gz AIQJGWXHRBDQDH-UHFFFAOYSA-N 0 1 391.834 3.179 20 0 GGADMN c1oc2ccccc2c1CN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522933 1446934312 /nfs/dbraw/zinc/93/43/12/1446934312.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1oc2ccccc2c1C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522933 1446934315 /nfs/dbraw/zinc/93/43/15/1446934315.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1oc2ccccc2c1C[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826522933 1446934319 /nfs/dbraw/zinc/93/43/19/1446934319.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1oc2ccccc2c1C[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522933 1446934322 /nfs/dbraw/zinc/93/43/22/1446934322.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1oc2ccccc2c1C[N@@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522933 1446934325 /nfs/dbraw/zinc/93/43/25/1446934325.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1oc2ccccc2c1CN1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522933 1446934329 /nfs/dbraw/zinc/93/43/29/1446934329.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1oc2ccccc2c1CN1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522933 1446934331 /nfs/dbraw/zinc/93/43/31/1446934331.db2.gz UEXLRINOJCUOME-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825301885 1446938892 /nfs/dbraw/zinc/93/88/92/1446938892.db2.gz RTXWEADYCOJCSN-HNNXBMFYSA-N 0 1 378.480 3.053 20 0 GGADMN COc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821813724 1446942759 /nfs/dbraw/zinc/94/27/59/1446942759.db2.gz KUXUMQGXZKXCMQ-UHFFFAOYSA-N 0 1 377.370 3.226 20 0 GGADMN O=C(CC[N@@H+](Cc1ccco1)C1CCCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964815 1446961275 /nfs/dbraw/zinc/96/12/75/1446961275.db2.gz QHMKTBZVFCCNLM-UHFFFAOYSA-N 0 1 380.452 3.233 20 0 GGADMN O=C1[C@@H]([N@H+]2CCCC3(CCCCC3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738289567 1446961811 /nfs/dbraw/zinc/96/18/11/1446961811.db2.gz IYJNBYLWXJLFAK-SFHVURJKSA-N 0 1 380.496 3.018 20 0 GGADMN CO[C@H]1CCCN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000826147065 1446970077 /nfs/dbraw/zinc/97/00/77/1446970077.db2.gz MSVNNFJSWVLOLP-NSHDSACASA-N 0 1 390.394 3.022 20 0 GGADMN COc1ccccc1[C@H]1CCCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890635 1446970136 /nfs/dbraw/zinc/97/01/36/1446970136.db2.gz NMOGVNNTHOHGHT-GOSISDBHSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890635 1446970137 /nfs/dbraw/zinc/97/01/37/1446970137.db2.gz NMOGVNNTHOHGHT-GOSISDBHSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890635 1446970141 /nfs/dbraw/zinc/97/01/41/1446970141.db2.gz NMOGVNNTHOHGHT-GOSISDBHSA-N 0 1 392.463 3.041 20 0 GGADMN O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738383322 1446970878 /nfs/dbraw/zinc/97/08/78/1446970878.db2.gz ATLVNAAFDCKZRZ-IBGZPJMESA-N 0 1 383.883 3.466 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-n2cncn2)cc1Cl ZINC000820428592 1446970884 /nfs/dbraw/zinc/97/08/84/1446970884.db2.gz YGODRIXSYLCIIU-LLVKDONJSA-N 0 1 398.833 3.091 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197763 1447002220 /nfs/dbraw/zinc/00/22/20/1447002220.db2.gz OSVBYTAMKZLDJB-INIZCTEOSA-N 0 1 382.512 3.042 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197763 1447002221 /nfs/dbraw/zinc/00/22/21/1447002221.db2.gz OSVBYTAMKZLDJB-INIZCTEOSA-N 0 1 382.512 3.042 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000736197763 1447002224 /nfs/dbraw/zinc/00/22/24/1447002224.db2.gz OSVBYTAMKZLDJB-INIZCTEOSA-N 0 1 382.512 3.042 20 0 GGADMN c1ccc([C@H]2C[C@H]2C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826520837 1447006736 /nfs/dbraw/zinc/00/67/36/1447006736.db2.gz SLCRMWLNLMXXHI-DCCYDQLOSA-N 0 1 390.491 3.345 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000737638904 1447012388 /nfs/dbraw/zinc/01/23/88/1447012388.db2.gz JYMCZBAMGUSBDR-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN c1ccc(SCC[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000738431975 1447012418 /nfs/dbraw/zinc/01/24/18/1447012418.db2.gz ABHPIKJWAJBHJJ-UHFFFAOYSA-N 0 1 394.548 3.167 20 0 GGADMN c1ccc(SCC[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000738431975 1447012422 /nfs/dbraw/zinc/01/24/22/1447012422.db2.gz ABHPIKJWAJBHJJ-UHFFFAOYSA-N 0 1 394.548 3.167 20 0 GGADMN c1ccc(SCC[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000738431975 1447012426 /nfs/dbraw/zinc/01/24/26/1447012426.db2.gz ABHPIKJWAJBHJJ-UHFFFAOYSA-N 0 1 394.548 3.167 20 0 GGADMN c1ccc(SCCN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000738431975 1447012429 /nfs/dbraw/zinc/01/24/29/1447012429.db2.gz ABHPIKJWAJBHJJ-UHFFFAOYSA-N 0 1 394.548 3.167 20 0 GGADMN c1ccc(SCCN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000738431975 1447012433 /nfs/dbraw/zinc/01/24/33/1447012433.db2.gz ABHPIKJWAJBHJJ-UHFFFAOYSA-N 0 1 394.548 3.167 20 0 GGADMN C[C@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736110099 1447014764 /nfs/dbraw/zinc/01/47/64/1447014764.db2.gz FRCPXUGMNMJCSR-INIZCTEOSA-N 0 1 399.543 3.081 20 0 GGADMN CCC[NH+]1CCC(N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736478752 1447014881 /nfs/dbraw/zinc/01/48/81/1447014881.db2.gz DDXIOFAGVZGLSR-UHFFFAOYSA-N 0 1 393.948 3.023 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000826183956 1447031423 /nfs/dbraw/zinc/03/14/23/1447031423.db2.gz GIXBVQDUUQRHOZ-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000819877490 1447032039 /nfs/dbraw/zinc/03/20/39/1447032039.db2.gz WWPIEWQBQNOJBB-UXLLHSPISA-N 0 1 376.464 3.072 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821000270 1447034462 /nfs/dbraw/zinc/03/44/62/1447034462.db2.gz BPVOZDBMUDMMPR-ZIAGYGMSSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821000270 1447034465 /nfs/dbraw/zinc/03/44/65/1447034465.db2.gz BPVOZDBMUDMMPR-ZIAGYGMSSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821000270 1447034469 /nfs/dbraw/zinc/03/44/69/1447034469.db2.gz BPVOZDBMUDMMPR-ZIAGYGMSSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1c1ccccc1 ZINC000820995637 1447045614 /nfs/dbraw/zinc/04/56/14/1447045614.db2.gz VINHTLBAGCGNNG-MAODMQOUSA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820995637 1447045620 /nfs/dbraw/zinc/04/56/20/1447045620.db2.gz VINHTLBAGCGNNG-MAODMQOUSA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1c1ccccc1 ZINC000820995637 1447045626 /nfs/dbraw/zinc/04/56/26/1447045626.db2.gz VINHTLBAGCGNNG-MAODMQOUSA-N 0 1 377.492 3.416 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668462 1447048558 /nfs/dbraw/zinc/04/85/58/1447048558.db2.gz SXYKYAHZKDIEKY-XHDPSFHLSA-N 0 1 386.456 3.089 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668462 1447048565 /nfs/dbraw/zinc/04/85/65/1447048565.db2.gz SXYKYAHZKDIEKY-XHDPSFHLSA-N 0 1 386.456 3.089 20 0 GGADMN COc1c(Br)cccc1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737024539 1447050952 /nfs/dbraw/zinc/05/09/52/1447050952.db2.gz SZPCHJLCECRYCO-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821693680 1447053049 /nfs/dbraw/zinc/05/30/49/1447053049.db2.gz JGGZDBODMJIJJL-CABCVRRESA-N 0 1 397.479 3.312 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000737032626 1447053782 /nfs/dbraw/zinc/05/37/82/1447053782.db2.gz MVMAYIBBWVUJNB-LPHOPBHVSA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000737032626 1447053784 /nfs/dbraw/zinc/05/37/84/1447053784.db2.gz MVMAYIBBWVUJNB-LPHOPBHVSA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000737032626 1447053786 /nfs/dbraw/zinc/05/37/86/1447053786.db2.gz MVMAYIBBWVUJNB-LPHOPBHVSA-N 0 1 393.491 3.380 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC000826237644 1447060750 /nfs/dbraw/zinc/06/07/50/1447060750.db2.gz HFDMMYHBOOIMOU-HNNXBMFYSA-N 0 1 389.935 3.316 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821447293 1447061976 /nfs/dbraw/zinc/06/19/76/1447061976.db2.gz IRKIKGRZIFTCRL-CHWSQXEVSA-N 0 1 394.932 3.065 20 0 GGADMN COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC000826220400 1447072673 /nfs/dbraw/zinc/07/26/73/1447072673.db2.gz MQZVOLSJAKIUHI-LSDHHAIUSA-N 0 1 396.470 3.192 20 0 GGADMN C[NH+](C)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000821581740 1447077087 /nfs/dbraw/zinc/07/70/87/1447077087.db2.gz UMMWZOCDULCNKQ-CYBMUJFWSA-N 0 1 378.267 3.283 20 0 GGADMN Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194133 1447078540 /nfs/dbraw/zinc/07/85/40/1447078540.db2.gz KJXSSERSRCDDIX-UHFFFAOYSA-N 0 1 382.443 3.002 20 0 GGADMN Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822194133 1447078546 /nfs/dbraw/zinc/07/85/46/1447078546.db2.gz KJXSSERSRCDDIX-UHFFFAOYSA-N 0 1 382.443 3.002 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820641248 1447086135 /nfs/dbraw/zinc/08/61/35/1447086135.db2.gz AZKSDUIVPUCNBW-UKRRQHHQSA-N 0 1 382.493 3.135 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820641248 1447086141 /nfs/dbraw/zinc/08/61/41/1447086141.db2.gz AZKSDUIVPUCNBW-UKRRQHHQSA-N 0 1 382.493 3.135 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820641248 1447086145 /nfs/dbraw/zinc/08/61/45/1447086145.db2.gz AZKSDUIVPUCNBW-UKRRQHHQSA-N 0 1 382.493 3.135 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736349554 1447086881 /nfs/dbraw/zinc/08/68/81/1447086881.db2.gz GRRFRYRVNJBSMT-SFHVURJKSA-N 0 1 381.480 3.207 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736349554 1447086885 /nfs/dbraw/zinc/08/68/85/1447086885.db2.gz GRRFRYRVNJBSMT-SFHVURJKSA-N 0 1 381.480 3.207 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736349554 1447086888 /nfs/dbraw/zinc/08/68/88/1447086888.db2.gz GRRFRYRVNJBSMT-SFHVURJKSA-N 0 1 381.480 3.207 20 0 GGADMN COc1cc(C)ccc1OC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139093349 1447090082 /nfs/dbraw/zinc/09/00/82/1447090082.db2.gz QBTKYBFAXAMTIL-UHFFFAOYSA-N 0 1 379.464 3.227 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820759148 1447090435 /nfs/dbraw/zinc/09/04/35/1447090435.db2.gz HTRXXEVDNXAUSM-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820759148 1447090437 /nfs/dbraw/zinc/09/04/37/1447090437.db2.gz HTRXXEVDNXAUSM-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820759148 1447090440 /nfs/dbraw/zinc/09/04/40/1447090440.db2.gz HTRXXEVDNXAUSM-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN O=C(CC[N@H+]1CCC2(CCC2)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822965040 1447095447 /nfs/dbraw/zinc/09/54/47/1447095447.db2.gz XPRBAUAALMLUML-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN O=C(CC[N@@H+]1CCC2(CCC2)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822965040 1447095452 /nfs/dbraw/zinc/09/54/52/1447095452.db2.gz XPRBAUAALMLUML-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN O=C(CC[N@H+]1CCC2(CCC2)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822965040 1447095456 /nfs/dbraw/zinc/09/54/56/1447095456.db2.gz XPRBAUAALMLUML-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820664896 1447104810 /nfs/dbraw/zinc/10/48/10/1447104810.db2.gz CTDOZUYWSMGOED-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000826168323 1447122368 /nfs/dbraw/zinc/12/23/68/1447122368.db2.gz JPDKSMLXJYOLMZ-LJQANCHMSA-N 0 1 397.454 3.196 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000826168323 1447122372 /nfs/dbraw/zinc/12/23/72/1447122372.db2.gz JPDKSMLXJYOLMZ-LJQANCHMSA-N 0 1 397.454 3.196 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824577917 1447125484 /nfs/dbraw/zinc/12/54/84/1447125484.db2.gz PBUBXLVRUWAKAW-YOEHRIQHSA-N 0 1 386.500 3.307 20 0 GGADMN Fc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)ccc1Br ZINC000822748122 1447127454 /nfs/dbraw/zinc/12/74/54/1447127454.db2.gz IZSYKVDUYPXSHZ-UHFFFAOYSA-N 0 1 380.196 3.197 20 0 GGADMN CC[NH+](CC)CCC[C@H](C)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821190049 1447133600 /nfs/dbraw/zinc/13/36/00/1447133600.db2.gz YEYQAIHTRQVBQP-LBPRGKRZSA-N 0 1 389.454 3.037 20 0 GGADMN CC[NH+](CC)[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccsc1 ZINC000736532331 1447147480 /nfs/dbraw/zinc/14/74/80/1447147480.db2.gz AUJDIGQNOSXCNM-CQSZACIVSA-N 0 1 377.905 3.472 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000736198027 1447148345 /nfs/dbraw/zinc/14/83/45/1447148345.db2.gz PKUSUWVCHXGSGU-AWEZNQCLSA-N 0 1 394.454 3.418 20 0 GGADMN CC[C@@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2C1 ZINC000820908517 1447149891 /nfs/dbraw/zinc/14/98/91/1447149891.db2.gz NAGSQYNUYVNYCC-IERDGZPVSA-N 0 1 376.508 3.354 20 0 GGADMN c1cc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCCCC3)o2)ccc1-c1nnn[n-]1 ZINC000823738411 1447160899 /nfs/dbraw/zinc/16/08/99/1447160899.db2.gz URWYPQONUFJHPX-KRWDZBQOSA-N 0 1 379.468 3.461 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@H](C4CCOCC4)C3)c2c1 ZINC000826263444 1447164267 /nfs/dbraw/zinc/16/42/67/1447164267.db2.gz BTVUBQXWVTVMSB-INIZCTEOSA-N 0 1 378.480 3.285 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824605499 1447172978 /nfs/dbraw/zinc/17/29/78/1447172978.db2.gz IUDZSJJIDPLWON-ZDUSSCGKSA-N 0 1 377.477 3.279 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000824616954 1447174326 /nfs/dbraw/zinc/17/43/26/1447174326.db2.gz BVJOTDYLQYLPFQ-AEFFLSMTSA-N 0 1 393.491 3.350 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821701915 1447176938 /nfs/dbraw/zinc/17/69/38/1447176938.db2.gz AIZDFIXTSDMJCO-KBXCAEBGSA-N 0 1 397.454 3.476 20 0 GGADMN CC[N@@H+](CCOCc1ccc(OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736537475 1447184539 /nfs/dbraw/zinc/18/45/39/1447184539.db2.gz SQZJSZYKXUTIOC-INIZCTEOSA-N 0 1 381.480 3.475 20 0 GGADMN Cc1c(Cl)cnc(NC2CC[NH+](C3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826238760 1447192002 /nfs/dbraw/zinc/19/20/02/1447192002.db2.gz OXGSMRPFYPRXRU-UHFFFAOYSA-N 0 1 375.908 3.433 20 0 GGADMN COc1ccc(C2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)CC2)cc1 ZINC000826190380 1447192989 /nfs/dbraw/zinc/19/29/89/1447192989.db2.gz ZEOINVCQRCOJTR-UHFFFAOYSA-N 0 1 387.390 3.256 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000737424780 1447204984 /nfs/dbraw/zinc/20/49/84/1447204984.db2.gz XAUCWSDYGRKQMA-HXUWFJFHSA-N 0 1 379.464 3.018 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000737424780 1447204990 /nfs/dbraw/zinc/20/49/90/1447204990.db2.gz XAUCWSDYGRKQMA-HXUWFJFHSA-N 0 1 379.464 3.018 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC[N@H+]1C ZINC000736229810 1447220230 /nfs/dbraw/zinc/22/02/30/1447220230.db2.gz SDOKXQPVYTYMOQ-JKSUJKDBSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000736229810 1447220237 /nfs/dbraw/zinc/22/02/37/1447220237.db2.gz SDOKXQPVYTYMOQ-JKSUJKDBSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@H+]1C ZINC000736229810 1447220243 /nfs/dbraw/zinc/22/02/43/1447220243.db2.gz SDOKXQPVYTYMOQ-JKSUJKDBSA-N 0 1 390.491 3.088 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826328859 1447223868 /nfs/dbraw/zinc/22/38/68/1447223868.db2.gz HMCVNQBNJDODDQ-AWEZNQCLSA-N 0 1 379.493 3.251 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412832 1447238937 /nfs/dbraw/zinc/23/89/37/1447238937.db2.gz MQZJMGNHBBVFFH-GJZGRUSLSA-N 0 1 376.464 3.405 20 0 GGADMN COc1ccc([C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)N2CCCCC2)cc1 ZINC000826188734 1447250731 /nfs/dbraw/zinc/25/07/31/1447250731.db2.gz FBKJVBGYIBWLJT-NRFANRHFSA-N 0 1 392.507 3.192 20 0 GGADMN CC1(C)c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824816522 1447271920 /nfs/dbraw/zinc/27/19/20/1447271920.db2.gz FTTFMBSFFUEDRP-UHFFFAOYSA-N 0 1 382.493 3.050 20 0 GGADMN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)N2CCCC2)o1 ZINC000826284280 1447272357 /nfs/dbraw/zinc/27/23/57/1447272357.db2.gz ORSLSBKJPUCGFK-KSSFIOAISA-N 0 1 384.459 3.395 20 0 GGADMN CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825291033 1447280478 /nfs/dbraw/zinc/28/04/78/1447280478.db2.gz LSDWVGQKTZOFMQ-AWEZNQCLSA-N 0 1 396.470 3.387 20 0 GGADMN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)Oc1cccc(Br)c1 ZINC000820276503 1447281001 /nfs/dbraw/zinc/28/10/01/1447281001.db2.gz XJSFEDJXIWVWAV-GFCCVEGCSA-N 0 1 388.269 3.186 20 0 GGADMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824235332 1447291373 /nfs/dbraw/zinc/29/13/73/1447291373.db2.gz FQZDRKJCAFFUPV-PBHICJAKSA-N 0 1 388.516 3.457 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571063 1447293866 /nfs/dbraw/zinc/29/38/66/1447293866.db2.gz POWDRALHMHIOPU-QRWLVFNGSA-N 0 1 380.471 3.494 20 0 GGADMN C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824571063 1447293870 /nfs/dbraw/zinc/29/38/70/1447293870.db2.gz POWDRALHMHIOPU-QRWLVFNGSA-N 0 1 380.471 3.494 20 0 GGADMN OCCC[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738393740 1447304038 /nfs/dbraw/zinc/30/40/38/1447304038.db2.gz NIZBXGNRIHLWBL-OAQYLSRUSA-N 0 1 393.491 3.008 20 0 GGADMN OCCC[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000738393740 1447304040 /nfs/dbraw/zinc/30/40/40/1447304040.db2.gz NIZBXGNRIHLWBL-OAQYLSRUSA-N 0 1 393.491 3.008 20 0 GGADMN OCCC[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000738393740 1447304044 /nfs/dbraw/zinc/30/40/44/1447304044.db2.gz NIZBXGNRIHLWBL-OAQYLSRUSA-N 0 1 393.491 3.008 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820761532 1447305350 /nfs/dbraw/zinc/30/53/50/1447305350.db2.gz XDSRBDUDJDTOGT-SUMWQHHRSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820761532 1447305356 /nfs/dbraw/zinc/30/53/56/1447305356.db2.gz XDSRBDUDJDTOGT-SUMWQHHRSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820761532 1447305361 /nfs/dbraw/zinc/30/53/61/1447305361.db2.gz XDSRBDUDJDTOGT-SUMWQHHRSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1COCCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825006497 1447317232 /nfs/dbraw/zinc/31/72/32/1447317232.db2.gz KDMHEZYJSFYHDG-INIZCTEOSA-N 0 1 379.464 3.057 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000824763504 1447323224 /nfs/dbraw/zinc/32/32/24/1447323224.db2.gz MYNYHGGYMXQCIK-CYBMUJFWSA-N 0 1 388.928 3.460 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000822505696 1447343821 /nfs/dbraw/zinc/34/38/21/1447343821.db2.gz RMPNUZUSCROZSE-GOSISDBHSA-N 0 1 380.500 3.292 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc(-c2nn[n-]n2)c1 ZINC000820426048 1447344298 /nfs/dbraw/zinc/34/42/98/1447344298.db2.gz FCPLXPBLKCVWAD-CYBMUJFWSA-N 0 1 387.443 3.313 20 0 GGADMN C[N@@H+](Cc1cccc(Br)c1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821613664 1449035910 /nfs/dbraw/zinc/03/59/10/1449035910.db2.gz XIZVXCYMFIAVRX-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN CC1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736212028 1449051135 /nfs/dbraw/zinc/05/11/35/1449051135.db2.gz UWHOLMYUNLXMSR-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CC1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736212028 1449051143 /nfs/dbraw/zinc/05/11/43/1449051143.db2.gz UWHOLMYUNLXMSR-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CC1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736212028 1449051147 /nfs/dbraw/zinc/05/11/47/1449051147.db2.gz UWHOLMYUNLXMSR-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN Oc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cc1 ZINC000738401578 1449059110 /nfs/dbraw/zinc/05/91/10/1449059110.db2.gz UXBZEGSQYLQKCH-UHFFFAOYSA-N 0 1 387.443 3.441 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000824568705 1449071604 /nfs/dbraw/zinc/07/16/04/1449071604.db2.gz CENUGRVIYFXFLP-BZNIZROVSA-N 0 1 393.369 3.150 20 0 GGADMN CS[C@H]1CC[C@H](Nc2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821950083 1449084849 /nfs/dbraw/zinc/08/48/49/1449084849.db2.gz KROFYFNPUZGNRK-ONGXEEELSA-N 0 1 392.435 3.134 20 0 GGADMN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824406689 1449092548 /nfs/dbraw/zinc/09/25/48/1449092548.db2.gz PYGJYQFRRAISBP-CQSZACIVSA-N 0 1 377.448 3.195 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736294322 1449103563 /nfs/dbraw/zinc/10/35/63/1449103563.db2.gz QYDCPRIKPDNAIX-JXXFODFXSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736294322 1449103566 /nfs/dbraw/zinc/10/35/66/1449103566.db2.gz QYDCPRIKPDNAIX-JXXFODFXSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412261 1449118336 /nfs/dbraw/zinc/11/83/36/1449118336.db2.gz LNUJSARZNHBABQ-QGZVFWFLSA-N 0 1 376.508 3.224 20 0 GGADMN CC1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000820623207 1449131665 /nfs/dbraw/zinc/13/16/65/1449131665.db2.gz HWQFVONEVNHMMG-UHFFFAOYSA-N 0 1 397.504 3.387 20 0 GGADMN CCC[N@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821104535 1449166522 /nfs/dbraw/zinc/16/65/22/1449166522.db2.gz HREMJYXVBNKOFQ-UHFFFAOYSA-N 0 1 383.525 3.334 20 0 GGADMN CCC[N@@H+](Cc1csc(N(C)C2CC2)n1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821104535 1449166526 /nfs/dbraw/zinc/16/65/26/1449166526.db2.gz HREMJYXVBNKOFQ-UHFFFAOYSA-N 0 1 383.525 3.334 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000737523847 1449167344 /nfs/dbraw/zinc/16/73/44/1449167344.db2.gz KMSVLMAFIDMRSA-IBGZPJMESA-N 0 1 392.511 3.436 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000826518621 1449168184 /nfs/dbraw/zinc/16/81/84/1449168184.db2.gz TUETWIRWFCCTQY-MRXNPFEDSA-N 0 1 380.521 3.412 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000821808949 1449188570 /nfs/dbraw/zinc/18/85/70/1449188570.db2.gz KVILHPGUFFHIES-OAHLLOKOSA-N 0 1 394.262 3.005 20 0 GGADMN C(=Cc1ccccc1)C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823861273 1449201298 /nfs/dbraw/zinc/20/12/98/1449201298.db2.gz CEBFSCGPKLBJRS-DAXSKMNVSA-N 0 1 376.464 3.255 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824612957 1449204553 /nfs/dbraw/zinc/20/45/53/1449204553.db2.gz QGENXUOBMYHKFS-OAHLLOKOSA-N 0 1 398.470 3.483 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000819867411 1449223026 /nfs/dbraw/zinc/22/30/26/1449223026.db2.gz RRXIJCFFTDFIQG-CZUORRHYSA-N 0 1 396.882 3.164 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000819867411 1449223028 /nfs/dbraw/zinc/22/30/28/1449223028.db2.gz RRXIJCFFTDFIQG-CZUORRHYSA-N 0 1 396.882 3.164 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(CCC[NH+](C)C)CC1 ZINC000826304395 1449229946 /nfs/dbraw/zinc/22/99/46/1449229946.db2.gz JQKAUBYMQFTDDT-UHFFFAOYSA-N 0 1 379.512 3.282 20 0 GGADMN COc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]2CCCO2)c1 ZINC000826215986 1449235577 /nfs/dbraw/zinc/23/55/77/1449235577.db2.gz FWJLGGTZYYMIMV-MRXNPFEDSA-N 0 1 385.493 3.118 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554981 1449236735 /nfs/dbraw/zinc/23/67/35/1449236735.db2.gz UEAFUEYZQSCDPH-YPMHNXCESA-N 0 1 388.397 3.214 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826373345 1449244993 /nfs/dbraw/zinc/24/49/93/1449244993.db2.gz IUSHSGDACAPXPW-CYBMUJFWSA-N 0 1 395.364 3.058 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826373345 1449245000 /nfs/dbraw/zinc/24/50/00/1449245000.db2.gz IUSHSGDACAPXPW-CYBMUJFWSA-N 0 1 395.364 3.058 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000736267947 1449263217 /nfs/dbraw/zinc/26/32/17/1449263217.db2.gz QWWXKPHMMRTKLO-ROUUACIJSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000736267947 1449263224 /nfs/dbraw/zinc/26/32/24/1449263224.db2.gz QWWXKPHMMRTKLO-ROUUACIJSA-N 0 1 393.539 3.206 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000736267947 1449263227 /nfs/dbraw/zinc/26/32/27/1449263227.db2.gz QWWXKPHMMRTKLO-ROUUACIJSA-N 0 1 393.539 3.206 20 0 GGADMN Cn1cc(C[N@@H+](C)CCCc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825923759 1449275728 /nfs/dbraw/zinc/27/57/28/1449275728.db2.gz UMCAUEMHZKUXNH-UHFFFAOYSA-N 0 1 387.491 3.332 20 0 GGADMN Cn1cc(C[N@H+](C)CCCc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825923759 1449275733 /nfs/dbraw/zinc/27/57/33/1449275733.db2.gz UMCAUEMHZKUXNH-UHFFFAOYSA-N 0 1 387.491 3.332 20 0 GGADMN Cn1cc(C[N@@H+](C)CCCc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825923759 1449275739 /nfs/dbraw/zinc/27/57/39/1449275739.db2.gz UMCAUEMHZKUXNH-UHFFFAOYSA-N 0 1 387.491 3.332 20 0 GGADMN C[C@H](Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662661 1449281816 /nfs/dbraw/zinc/28/18/16/1449281816.db2.gz PALBDODFYPMYON-HOTGVXAUSA-N 0 1 378.480 3.433 20 0 GGADMN CC[N@H+](Cc1c(C(C)C)nn(C)c1N(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428926 1449290030 /nfs/dbraw/zinc/29/00/30/1449290030.db2.gz VLUNWDLDDIUWLA-OAHLLOKOSA-N 0 1 396.543 3.373 20 0 GGADMN CC[N@@H+](Cc1c(C(C)C)nn(C)c1N(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428926 1449290036 /nfs/dbraw/zinc/29/00/36/1449290036.db2.gz VLUNWDLDDIUWLA-OAHLLOKOSA-N 0 1 396.543 3.373 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825923800 1449291378 /nfs/dbraw/zinc/29/13/78/1449291378.db2.gz WIWUSWWNFMDYPH-UHFFFAOYSA-N 0 1 382.399 3.318 20 0 GGADMN O[C@H](CN1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681764 1449291594 /nfs/dbraw/zinc/29/15/94/1449291594.db2.gz KIEQTYQJGKKCNH-QGZVFWFLSA-N 0 1 390.274 3.265 20 0 GGADMN O[C@H](C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681764 1449291604 /nfs/dbraw/zinc/29/16/04/1449291604.db2.gz KIEQTYQJGKKCNH-QGZVFWFLSA-N 0 1 390.274 3.265 20 0 GGADMN O[C@H](C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681764 1449291610 /nfs/dbraw/zinc/29/16/10/1449291610.db2.gz KIEQTYQJGKKCNH-QGZVFWFLSA-N 0 1 390.274 3.265 20 0 GGADMN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821321200 1449306897 /nfs/dbraw/zinc/30/68/97/1449306897.db2.gz WDSPPAHNBQWOPV-APHBMKBZSA-N 0 1 393.438 3.275 20 0 GGADMN C[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000736127571 1449308819 /nfs/dbraw/zinc/30/88/19/1449308819.db2.gz RSWBTFIOBIXQIL-BTYIYWSLSA-N 0 1 398.470 3.411 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682410 1449316268 /nfs/dbraw/zinc/31/62/68/1449316268.db2.gz PUOXNFBIWKFHIM-PKOBYXMFSA-N 0 1 399.882 3.097 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824571350 1449321365 /nfs/dbraw/zinc/32/13/65/1449321365.db2.gz QCJULBIYSVKFPD-BZNIZROVSA-N 0 1 393.369 3.150 20 0 GGADMN Cc1noc(C)c1C[C@H](C)Nc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc12 ZINC000822195173 1449336384 /nfs/dbraw/zinc/33/63/84/1449336384.db2.gz JCOWMVLHUYOCAA-LBPRGKRZSA-N 0 1 377.452 3.102 20 0 GGADMN O[C@H](C[N@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503129 1449342896 /nfs/dbraw/zinc/34/28/96/1449342896.db2.gz RGWIIRDEUJUHJE-NHCUHLMSSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@H](C[N@@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503129 1449342904 /nfs/dbraw/zinc/34/29/04/1449342904.db2.gz RGWIIRDEUJUHJE-NHCUHLMSSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@H](C[N@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503129 1449342910 /nfs/dbraw/zinc/34/29/10/1449342910.db2.gz RGWIIRDEUJUHJE-NHCUHLMSSA-N 0 1 377.492 3.387 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824617296 1449344477 /nfs/dbraw/zinc/34/44/77/1449344477.db2.gz GDSAAOASPOTRQL-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN Clc1ccc([C@H]([NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C2CCC2)cc1 ZINC000737571273 1449345778 /nfs/dbraw/zinc/34/57/78/1449345778.db2.gz ZDEGGDFAEJSMLG-QGZVFWFLSA-N 0 1 394.870 3.194 20 0 GGADMN COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826220070 1449356544 /nfs/dbraw/zinc/35/65/44/1449356544.db2.gz BDSDGNLEADUECC-CQSZACIVSA-N 0 1 396.470 3.334 20 0 GGADMN Cc1noc(C)c1CCCNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc12 ZINC000822195511 1449357722 /nfs/dbraw/zinc/35/77/22/1449357722.db2.gz UIUXTSWNWNASKX-UHFFFAOYSA-N 0 1 377.452 3.103 20 0 GGADMN COCC[N@H+](Cc1ccc(F)cc1Cl)Cc1ccccc1-c1nnn[n-]1 ZINC000737001574 1449365655 /nfs/dbraw/zinc/36/56/55/1449365655.db2.gz BZBCXMNPBCLBFG-UHFFFAOYSA-N 0 1 375.835 3.308 20 0 GGADMN COCC[N@@H+](Cc1ccc(F)cc1Cl)Cc1ccccc1-c1nnn[n-]1 ZINC000737001574 1449365660 /nfs/dbraw/zinc/36/56/60/1449365660.db2.gz BZBCXMNPBCLBFG-UHFFFAOYSA-N 0 1 375.835 3.308 20 0 GGADMN Cc1cc([C@@H]([NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1F ZINC000826262635 1449401614 /nfs/dbraw/zinc/40/16/14/1449401614.db2.gz UKYSXEJFBRVYCI-FQEVSTJZSA-N 0 1 394.454 3.384 20 0 GGADMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736332589 1449416070 /nfs/dbraw/zinc/41/60/70/1449416070.db2.gz RWLVYWKXBROJOU-KBXCAEBGSA-N 0 1 380.500 3.292 20 0 GGADMN COc1cc(Br)ccc1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826176975 1449427028 /nfs/dbraw/zinc/42/70/28/1449427028.db2.gz MFZQWHGFJWAZOW-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN COc1cc(Br)ccc1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826176975 1449427030 /nfs/dbraw/zinc/42/70/30/1449427030.db2.gz MFZQWHGFJWAZOW-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN c1ccc(OC[C@@H]2CC[N@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826522953 1449437498 /nfs/dbraw/zinc/43/74/98/1449437498.db2.gz UUIZRKCWXJNSTD-QGZVFWFLSA-N 0 1 379.464 3.037 20 0 GGADMN c1ccc(OC[C@@H]2CC[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826522953 1449437500 /nfs/dbraw/zinc/43/75/00/1449437500.db2.gz UUIZRKCWXJNSTD-QGZVFWFLSA-N 0 1 379.464 3.037 20 0 GGADMN c1ccc(OC[C@@H]2CC[N@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826522953 1449437502 /nfs/dbraw/zinc/43/75/02/1449437502.db2.gz UUIZRKCWXJNSTD-QGZVFWFLSA-N 0 1 379.464 3.037 20 0 GGADMN CO[C@H](C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000821676944 1449463136 /nfs/dbraw/zinc/46/31/36/1449463136.db2.gz KFIGQTHZUDZBKY-HXUWFJFHSA-N 0 1 381.480 3.206 20 0 GGADMN CN(C)C(=O)C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841239 1449485686 /nfs/dbraw/zinc/48/56/86/1449485686.db2.gz ULRHHCBKRZOFDN-PMACEKPBSA-N 0 1 390.491 3.053 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+]Cc2ccnc3ccccc23)c1 ZINC000738421815 1449487058 /nfs/dbraw/zinc/48/70/58/1449487058.db2.gz GLHBDYNDLSKDKI-UHFFFAOYSA-N 0 1 376.489 3.438 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)CCc1cccc(F)c1 ZINC000821094765 1449487257 /nfs/dbraw/zinc/48/72/57/1449487257.db2.gz PXHMNPBPNXUUBB-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CCc1cccc(F)c1 ZINC000821094765 1449487259 /nfs/dbraw/zinc/48/72/59/1449487259.db2.gz PXHMNPBPNXUUBB-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CCc1cccc(F)c1 ZINC000821094765 1449487262 /nfs/dbraw/zinc/48/72/62/1449487262.db2.gz PXHMNPBPNXUUBB-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000738436963 1449495254 /nfs/dbraw/zinc/49/52/54/1449495254.db2.gz WRYBJKGTGXRFNW-UHFFFAOYSA-N 0 1 389.463 3.126 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=C1CCC(C)(C)CC1 ZINC000825866070 1449496806 /nfs/dbraw/zinc/49/68/06/1449496806.db2.gz QIMWBCNKYZPWRY-UHFFFAOYSA-N 0 1 396.539 3.284 20 0 GGADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Br)cc1 ZINC000820276587 1449499449 /nfs/dbraw/zinc/49/94/49/1449499449.db2.gz XVOQVLBQGUMHST-GFCCVEGCSA-N 0 1 388.269 3.186 20 0 GGADMN COc1ccc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000821813657 1449502345 /nfs/dbraw/zinc/50/23/45/1449502345.db2.gz KCZQUZSVLCYSRC-UHFFFAOYSA-N 0 1 392.507 3.198 20 0 GGADMN Cc1cnn(CCCCC[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826320548 1449512019 /nfs/dbraw/zinc/51/20/19/1449512019.db2.gz VELJXURFERVMQI-UHFFFAOYSA-N 0 1 377.496 3.331 20 0 GGADMN Cc1cnn(CCCCC[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826320548 1449512025 /nfs/dbraw/zinc/51/20/25/1449512025.db2.gz VELJXURFERVMQI-UHFFFAOYSA-N 0 1 377.496 3.331 20 0 GGADMN Cc1cnn(CCCCC[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826320548 1449512028 /nfs/dbraw/zinc/51/20/28/1449512028.db2.gz VELJXURFERVMQI-UHFFFAOYSA-N 0 1 377.496 3.331 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825413145 1449512953 /nfs/dbraw/zinc/51/29/53/1449512953.db2.gz XUGLADWBWHULCB-UHFFFAOYSA-N 0 1 397.858 3.077 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824576818 1449535445 /nfs/dbraw/zinc/53/54/45/1449535445.db2.gz DITPCDMKFHDZAT-YJBOKZPZSA-N 0 1 380.471 3.321 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCO[C@@H](c4nccs4)C3)c2c1 ZINC000822195126 1449537615 /nfs/dbraw/zinc/53/76/15/1449537615.db2.gz ICMCSBAPRDCRIY-OAHLLOKOSA-N 0 1 393.476 3.066 20 0 GGADMN Cc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737425186 1449554423 /nfs/dbraw/zinc/55/44/23/1449554423.db2.gz ZSUGMQCGPXWBOG-AWEZNQCLSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737425186 1449554429 /nfs/dbraw/zinc/55/44/29/1449554429.db2.gz ZSUGMQCGPXWBOG-AWEZNQCLSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737425186 1449554434 /nfs/dbraw/zinc/55/44/34/1449554434.db2.gz ZSUGMQCGPXWBOG-AWEZNQCLSA-N 0 1 382.493 3.055 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)cc2)C1 ZINC000820722381 1449592014 /nfs/dbraw/zinc/59/20/14/1449592014.db2.gz IERGVHKKCXUVJC-HNNXBMFYSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@H]1CC[N@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)C1 ZINC000820722381 1449592018 /nfs/dbraw/zinc/59/20/18/1449592018.db2.gz IERGVHKKCXUVJC-HNNXBMFYSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)cc3F)cc2)C1 ZINC000820722381 1449592023 /nfs/dbraw/zinc/59/20/23/1449592023.db2.gz IERGVHKKCXUVJC-HNNXBMFYSA-N 0 1 396.470 3.339 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680954 1449599486 /nfs/dbraw/zinc/59/94/86/1449599486.db2.gz BNFZEOIRCMRTKB-IEBWSBKVSA-N 0 1 383.883 3.261 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680954 1449599490 /nfs/dbraw/zinc/59/94/90/1449599490.db2.gz BNFZEOIRCMRTKB-IEBWSBKVSA-N 0 1 383.883 3.261 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680954 1449599493 /nfs/dbraw/zinc/59/94/93/1449599493.db2.gz BNFZEOIRCMRTKB-IEBWSBKVSA-N 0 1 383.883 3.261 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000737523848 1449603598 /nfs/dbraw/zinc/60/35/98/1449603598.db2.gz KMSVLMAFIDMRSA-LJQANCHMSA-N 0 1 392.511 3.436 20 0 GGADMN c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520171 1449606750 /nfs/dbraw/zinc/60/67/50/1449606750.db2.gz BQVKINFEYUBYPB-UWJYYQICSA-N 0 1 393.491 3.393 20 0 GGADMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825946145 1449621283 /nfs/dbraw/zinc/62/12/83/1449621283.db2.gz KSGKHZFGEWKDLM-UHFFFAOYSA-N 0 1 394.298 3.202 20 0 GGADMN C[C@H](Cc1ccsc1)[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824465425 1449625508 /nfs/dbraw/zinc/62/55/08/1449625508.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@H](Cc1ccsc1)[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465425 1449625513 /nfs/dbraw/zinc/62/55/13/1449625513.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@H](Cc1ccsc1)[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465425 1449625515 /nfs/dbraw/zinc/62/55/15/1449625515.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@H](Cc1ccsc1)N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465425 1449625518 /nfs/dbraw/zinc/62/55/18/1449625518.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@H](Cc1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465425 1449625522 /nfs/dbraw/zinc/62/55/22/1449625522.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@H](Cc1ccsc1)N1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824465425 1449625526 /nfs/dbraw/zinc/62/55/26/1449625526.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@H](Cc1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824465425 1449625528 /nfs/dbraw/zinc/62/55/28/1449625528.db2.gz OSWWESVLOQGMHZ-MRXNPFEDSA-N 0 1 382.537 3.067 20 0 GGADMN CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820950890 1449638225 /nfs/dbraw/zinc/63/82/25/1449638225.db2.gz SEQBRBMVCPOEPT-GOSISDBHSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950890 1449638230 /nfs/dbraw/zinc/63/82/30/1449638230.db2.gz SEQBRBMVCPOEPT-GOSISDBHSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950890 1449638233 /nfs/dbraw/zinc/63/82/33/1449638233.db2.gz SEQBRBMVCPOEPT-GOSISDBHSA-N 0 1 376.892 3.361 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCN(c4cccs4)CC3)c2c1 ZINC000822195324 1449670007 /nfs/dbraw/zinc/67/00/07/1449670007.db2.gz OTTYTBXKSXTCTJ-UHFFFAOYSA-N 0 1 391.504 3.420 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209532 1449675484 /nfs/dbraw/zinc/67/54/84/1449675484.db2.gz AAXFTFSPNDPOHE-TZMCWYRMSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209532 1449675489 /nfs/dbraw/zinc/67/54/89/1449675489.db2.gz AAXFTFSPNDPOHE-TZMCWYRMSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209532 1449675497 /nfs/dbraw/zinc/67/54/97/1449675497.db2.gz AAXFTFSPNDPOHE-TZMCWYRMSA-N 0 1 392.529 3.053 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)CC2 ZINC000821401652 1449688549 /nfs/dbraw/zinc/68/85/49/1449688549.db2.gz YPTLZIXJPJMCEA-UHFFFAOYSA-N 0 1 397.454 3.362 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)CC2 ZINC000821401652 1449688556 /nfs/dbraw/zinc/68/85/56/1449688556.db2.gz YPTLZIXJPJMCEA-UHFFFAOYSA-N 0 1 397.454 3.362 20 0 GGADMN O[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000823696710 1449726279 /nfs/dbraw/zinc/72/62/79/1449726279.db2.gz GRFCHGPYWFUYKZ-UZLBHIALSA-N 0 1 393.491 3.086 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](Cc1ccccc1F)C(C)C ZINC000737030905 1449726318 /nfs/dbraw/zinc/72/63/18/1449726318.db2.gz BNWDVEYTUPGICR-UHFFFAOYSA-N 0 1 385.443 3.304 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000826167997 1449729410 /nfs/dbraw/zinc/72/94/10/1449729410.db2.gz YROZSCXUHWLXFW-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000826167997 1449729414 /nfs/dbraw/zinc/72/94/14/1449729414.db2.gz YROZSCXUHWLXFW-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Br)n1 ZINC000824293820 1449732046 /nfs/dbraw/zinc/73/20/46/1449732046.db2.gz YLWIQFKUMDXIFE-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN c1sc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1-c1nn[n-]n1 ZINC000823766839 1449736315 /nfs/dbraw/zinc/73/63/15/1449736315.db2.gz KOBJEQBLUOHEEP-INIZCTEOSA-N 0 1 389.488 3.032 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826503386 1449740058 /nfs/dbraw/zinc/74/00/58/1449740058.db2.gz WOTJKWNCEPZZFF-MJGOQNOKSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826503386 1449740064 /nfs/dbraw/zinc/74/00/64/1449740064.db2.gz WOTJKWNCEPZZFF-MJGOQNOKSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826503386 1449740070 /nfs/dbraw/zinc/74/00/70/1449740070.db2.gz WOTJKWNCEPZZFF-MJGOQNOKSA-N 0 1 385.418 3.233 20 0 GGADMN COc1ccc(COCCC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826206834 1449747049 /nfs/dbraw/zinc/74/70/49/1449747049.db2.gz NGBSQCIHNVFHHE-CQSZACIVSA-N 0 1 385.443 3.272 20 0 GGADMN COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826216909 1449759577 /nfs/dbraw/zinc/75/95/77/1449759577.db2.gz RRZITKBLLDXJOQ-QAPCUYQASA-N 0 1 378.480 3.195 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000824426441 1449773910 /nfs/dbraw/zinc/77/39/10/1449773910.db2.gz FKSQNPAQJKRHKN-HNNXBMFYSA-N 0 1 380.471 3.368 20 0 GGADMN COc1ccc([C@H](CNc2nc(C)ccc2-c2nn[n-]n2)[NH+]2CCCCC2)cc1 ZINC000821778166 1449776494 /nfs/dbraw/zinc/77/64/94/1449776494.db2.gz VYGZSMDHAIVIBB-IBGZPJMESA-N 0 1 393.495 3.218 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC000821607263 1449780042 /nfs/dbraw/zinc/78/00/42/1449780042.db2.gz GXDAHKFZQIXSLG-IBGZPJMESA-N 0 1 395.417 3.100 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC000821607263 1449780044 /nfs/dbraw/zinc/78/00/44/1449780044.db2.gz GXDAHKFZQIXSLG-IBGZPJMESA-N 0 1 395.417 3.100 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000824505317 1449787850 /nfs/dbraw/zinc/78/78/50/1449787850.db2.gz BLGKWAXXXWKDQL-CHWSQXEVSA-N 0 1 392.529 3.053 20 0 GGADMN Fc1ccc(CC2C[NH+](Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)C2)cc1 ZINC000826373846 1449809861 /nfs/dbraw/zinc/80/98/61/1449809861.db2.gz BPYDAKRTWAPJGM-UHFFFAOYSA-N 0 1 389.381 3.282 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826328953 1449814720 /nfs/dbraw/zinc/81/47/20/1449814720.db2.gz KPQRKGCYLUDVTI-INIZCTEOSA-N 0 1 391.454 3.329 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CCC2 ZINC000826376297 1449845072 /nfs/dbraw/zinc/84/50/72/1449845072.db2.gz WYVDNERWAKKENM-IBGZPJMESA-N 0 1 393.470 3.037 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139855004 1449848771 /nfs/dbraw/zinc/84/87/71/1449848771.db2.gz RHXZOECAZFGEGR-KRWDZBQOSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139855004 1449848778 /nfs/dbraw/zinc/84/87/78/1449848778.db2.gz RHXZOECAZFGEGR-KRWDZBQOSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139855004 1449848783 /nfs/dbraw/zinc/84/87/83/1449848783.db2.gz RHXZOECAZFGEGR-KRWDZBQOSA-N 0 1 386.500 3.087 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820727880 1449853478 /nfs/dbraw/zinc/85/34/78/1449853478.db2.gz QFCZKOPDQXUJDU-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H](O)C1CC[NH+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000824691022 1449862160 /nfs/dbraw/zinc/86/21/60/1449862160.db2.gz XEZPNKRVKWBDBF-INIZCTEOSA-N 0 1 393.491 3.039 20 0 GGADMN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506488 1449865534 /nfs/dbraw/zinc/86/55/34/1449865534.db2.gz VQLUAWLJZKDMDV-TZMCWYRMSA-N 0 1 395.410 3.255 20 0 GGADMN O=C(C1CCC1)N(CCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000826399279 1449869864 /nfs/dbraw/zinc/86/98/64/1449869864.db2.gz RUALDRWJNBQQGV-FQEVSTJZSA-N 0 1 394.523 3.015 20 0 GGADMN c1csc(-c2nc(C[NH2+]CCOc3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000823816292 1449877966 /nfs/dbraw/zinc/87/79/66/1449877966.db2.gz SHMJGMXXEAVTPW-UHFFFAOYSA-N 0 1 384.490 3.220 20 0 GGADMN C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)N1CCc2sccc2C1 ZINC000824569603 1449891718 /nfs/dbraw/zinc/89/17/18/1449891718.db2.gz JFGFWSCSXZVBMJ-OLZOCXBDSA-N 0 1 386.500 3.165 20 0 GGADMN COCc1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826164877 1449904306 /nfs/dbraw/zinc/90/43/06/1449904306.db2.gz VBRSOIPGYJOAOL-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826193252 1449919146 /nfs/dbraw/zinc/91/91/46/1449919146.db2.gz WWJZNDSYHDDZBG-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc1-c1nn[n-]n1 ZINC000826202585 1449923216 /nfs/dbraw/zinc/92/32/16/1449923216.db2.gz FFYJWNROKUFHTA-UHFFFAOYSA-N 0 1 375.432 3.327 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000823675531 1449928844 /nfs/dbraw/zinc/92/88/44/1449928844.db2.gz XFOKRPRQTBMBEG-HKUYNNGSSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675531 1449928846 /nfs/dbraw/zinc/92/88/46/1449928846.db2.gz XFOKRPRQTBMBEG-HKUYNNGSSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1CCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675531 1449928850 /nfs/dbraw/zinc/92/88/50/1449928850.db2.gz XFOKRPRQTBMBEG-HKUYNNGSSA-N 0 1 397.479 3.207 20 0 GGADMN CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000821608706 1449931117 /nfs/dbraw/zinc/93/11/17/1449931117.db2.gz RDCLXYCDHDLVTQ-UHFFFAOYSA-N 0 1 399.543 3.054 20 0 GGADMN C[C@@H](c1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1)[NH+]1CCOCC1 ZINC000820562093 1449931369 /nfs/dbraw/zinc/93/13/69/1449931369.db2.gz DNHJQZSORXFURS-LBPRGKRZSA-N 0 1 385.859 3.052 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120437 1449931985 /nfs/dbraw/zinc/93/19/85/1449931985.db2.gz AHGJOQWAZLFONE-DLBZAZTESA-N 0 1 392.507 3.315 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820706322 1449934406 /nfs/dbraw/zinc/93/44/06/1449934406.db2.gz YUCXSLXHKVIAGU-INIZCTEOSA-N 0 1 397.527 3.375 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820706322 1449934408 /nfs/dbraw/zinc/93/44/08/1449934408.db2.gz YUCXSLXHKVIAGU-INIZCTEOSA-N 0 1 397.527 3.375 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820706322 1449934412 /nfs/dbraw/zinc/93/44/12/1449934412.db2.gz YUCXSLXHKVIAGU-INIZCTEOSA-N 0 1 397.527 3.375 20 0 GGADMN CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825127927 1449946135 /nfs/dbraw/zinc/94/61/35/1449946135.db2.gz PWDQPCUYVZXTQC-MRXNPFEDSA-N 0 1 397.479 3.003 20 0 GGADMN c1c2ccccc2oc1C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826524459 1449953040 /nfs/dbraw/zinc/95/30/40/1449953040.db2.gz WPDXLEGUVIKUIC-UHFFFAOYSA-N 0 1 390.447 3.488 20 0 GGADMN FC(F)Oc1cccc([C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826370141 1449953560 /nfs/dbraw/zinc/95/35/60/1449953560.db2.gz FRXLZSJOVIBDCB-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1cccc([C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826370141 1449953566 /nfs/dbraw/zinc/95/35/66/1449953566.db2.gz FRXLZSJOVIBDCB-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN O[C@@H](c1ccccc1)C1CCN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CC1 ZINC000738385387 1449958898 /nfs/dbraw/zinc/95/88/98/1449958898.db2.gz IJLRNIJHBNCYLA-NRFANRHFSA-N 0 1 386.459 3.365 20 0 GGADMN Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822399550 1449966756 /nfs/dbraw/zinc/96/67/56/1449966756.db2.gz JHWYWUOAHLXEPK-UHFFFAOYSA-N 0 1 397.870 3.079 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000826373469 1449988818 /nfs/dbraw/zinc/98/88/18/1449988818.db2.gz NJDZNKYDODHOQA-INIZCTEOSA-N 0 1 377.427 3.020 20 0 GGADMN Cc1ccccc1[C@H]1CN(CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822351001 1450003736 /nfs/dbraw/zinc/00/37/36/1450003736.db2.gz JCDDROZCPMTMER-DYESRHJHSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822351001 1450003739 /nfs/dbraw/zinc/00/37/39/1450003739.db2.gz JCDDROZCPMTMER-DYESRHJHSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822351001 1450003749 /nfs/dbraw/zinc/00/37/49/1450003749.db2.gz JCDDROZCPMTMER-DYESRHJHSA-N 0 1 393.491 3.406 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)cc1-c1nnn[n-]1 ZINC000826202433 1450023361 /nfs/dbraw/zinc/02/33/61/1450023361.db2.gz ZTEMVEPBEMJRGZ-LLVKDONJSA-N 0 1 399.405 3.471 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773698 1450029301 /nfs/dbraw/zinc/02/93/01/1450029301.db2.gz XZWLCWRRWOZTCV-JXFKEZNVSA-N 0 1 392.507 3.362 20 0 GGADMN CC(C)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824324115 1450031131 /nfs/dbraw/zinc/03/11/31/1450031131.db2.gz HCHJEAANQSUEMK-FQEVSTJZSA-N 0 1 379.464 3.227 20 0 GGADMN CC(C)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000824324115 1450031134 /nfs/dbraw/zinc/03/11/34/1450031134.db2.gz HCHJEAANQSUEMK-FQEVSTJZSA-N 0 1 379.464 3.227 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360331 1450034517 /nfs/dbraw/zinc/03/45/17/1450034517.db2.gz GTOYCFRONNMAGV-FQEVSTJZSA-N 0 1 385.475 3.084 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820722273 1450059728 /nfs/dbraw/zinc/05/97/28/1450059728.db2.gz GWXVXGCEWZFDAD-GXTWGEPZSA-N 0 1 386.481 3.323 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826331952 1450068311 /nfs/dbraw/zinc/06/83/11/1450068311.db2.gz FIOWXPNFEMSRLQ-LJQANCHMSA-N 0 1 385.475 3.480 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826331952 1450068315 /nfs/dbraw/zinc/06/83/15/1450068315.db2.gz FIOWXPNFEMSRLQ-LJQANCHMSA-N 0 1 385.475 3.480 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826331952 1450068320 /nfs/dbraw/zinc/06/83/20/1450068320.db2.gz FIOWXPNFEMSRLQ-LJQANCHMSA-N 0 1 385.475 3.480 20 0 GGADMN COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)c1 ZINC000826214297 1450071844 /nfs/dbraw/zinc/07/18/44/1450071844.db2.gz HFLLSRLAWKMVEP-KKSFZXQISA-N 0 1 392.507 3.363 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826169416 1450088825 /nfs/dbraw/zinc/08/88/25/1450088825.db2.gz RSVSDMFJNCWPOB-MOPGFXCFSA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826169416 1450088831 /nfs/dbraw/zinc/08/88/31/1450088831.db2.gz RSVSDMFJNCWPOB-MOPGFXCFSA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826169416 1450088836 /nfs/dbraw/zinc/08/88/36/1450088836.db2.gz RSVSDMFJNCWPOB-MOPGFXCFSA-N 0 1 397.454 3.103 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000737526258 1450090743 /nfs/dbraw/zinc/09/07/43/1450090743.db2.gz ZIXTZPNVRDVXPK-JVPBZIDWSA-N 0 1 392.511 3.292 20 0 GGADMN COCCCOC1CCN(c2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000821687896 1450100111 /nfs/dbraw/zinc/10/01/11/1450100111.db2.gz USXLPNLAEKCQFO-UHFFFAOYSA-N 0 1 396.495 3.054 20 0 GGADMN C[C@@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000824999569 1450113308 /nfs/dbraw/zinc/11/33/08/1450113308.db2.gz HZMLVJDKQFHFPY-BFUOFWGJSA-N 0 1 394.454 3.246 20 0 GGADMN Cc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)c(N2CCCC2)[nH+]1 ZINC000826288866 1450115782 /nfs/dbraw/zinc/11/57/82/1450115782.db2.gz ZTLNVYICJTXYBL-UHFFFAOYSA-N 0 1 384.875 3.139 20 0 GGADMN CC(C)[NH2+]C1CCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000735892925 1450132786 /nfs/dbraw/zinc/13/27/86/1450132786.db2.gz PTYCBKDCVJUQFI-UHFFFAOYSA-N 0 1 376.508 3.496 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820294126 1450135603 /nfs/dbraw/zinc/13/56/03/1450135603.db2.gz RCZHUBAOSREERR-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000826183212 1450184871 /nfs/dbraw/zinc/18/48/71/1450184871.db2.gz ICYNTZVSQJIPTJ-GOSISDBHSA-N 0 1 395.438 3.252 20 0 GGADMN COc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000821716584 1450186321 /nfs/dbraw/zinc/18/63/21/1450186321.db2.gz ATYWGRWJUZBXJK-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819933440 1450194189 /nfs/dbraw/zinc/19/41/89/1450194189.db2.gz ROMLXQGQTXLRFJ-GOSISDBHSA-N 0 1 394.479 3.222 20 0 GGADMN CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825341813 1450199685 /nfs/dbraw/zinc/19/96/85/1450199685.db2.gz KUJOTQPNCVWAME-HNNXBMFYSA-N 0 1 399.520 3.009 20 0 GGADMN COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826155932 1450206317 /nfs/dbraw/zinc/20/63/17/1450206317.db2.gz IGFJXZSQXYYFRO-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN Cc1ccc(C[C@@H](C)[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826287464 1450220108 /nfs/dbraw/zinc/22/01/08/1450220108.db2.gz PWNXXZVZFFFXSV-OAHLLOKOSA-N 0 1 396.564 3.422 20 0 GGADMN Cc1ccnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1-c1nn[n-]n1 ZINC000826309946 1450227021 /nfs/dbraw/zinc/22/70/21/1450227021.db2.gz HBCRCQPYXXAATH-JOCHJYFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1-c1nnn[n-]1 ZINC000826309946 1450227026 /nfs/dbraw/zinc/22/70/26/1450227026.db2.gz HBCRCQPYXXAATH-JOCHJYFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1-c1nnn[n-]1 ZINC000826309946 1450227031 /nfs/dbraw/zinc/22/70/31/1450227031.db2.gz HBCRCQPYXXAATH-JOCHJYFZSA-N 0 1 389.507 3.063 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000821702109 1450241452 /nfs/dbraw/zinc/24/14/52/1450241452.db2.gz HWHFXKICSCEEPW-INIZCTEOSA-N 0 1 385.855 3.355 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000821702109 1450241453 /nfs/dbraw/zinc/24/14/53/1450241453.db2.gz HWHFXKICSCEEPW-INIZCTEOSA-N 0 1 385.855 3.355 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000820242179 1450252072 /nfs/dbraw/zinc/25/20/72/1450252072.db2.gz LQVKSPBPTJQNJJ-AWEZNQCLSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[N@H+](C)Cc1ccccc1 ZINC000820242179 1450252074 /nfs/dbraw/zinc/25/20/74/1450252074.db2.gz LQVKSPBPTJQNJJ-AWEZNQCLSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[N@@H+](C)Cc1ccccc1 ZINC000820242179 1450252078 /nfs/dbraw/zinc/25/20/78/1450252078.db2.gz LQVKSPBPTJQNJJ-AWEZNQCLSA-N 0 1 397.458 3.038 20 0 GGADMN O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000738384371 1450255244 /nfs/dbraw/zinc/25/52/44/1450255244.db2.gz DNQKFKVUNOXOBJ-RTWAWAEBSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384371 1450255246 /nfs/dbraw/zinc/25/52/46/1450255246.db2.gz DNQKFKVUNOXOBJ-RTWAWAEBSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384371 1450255249 /nfs/dbraw/zinc/25/52/49/1450255249.db2.gz DNQKFKVUNOXOBJ-RTWAWAEBSA-N 0 1 393.491 3.224 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826373503 1450262456 /nfs/dbraw/zinc/26/24/56/1450262456.db2.gz OPKUBERRJFKMEU-INIZCTEOSA-N 0 1 377.427 3.020 20 0 GGADMN C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820683838 1450264636 /nfs/dbraw/zinc/26/46/36/1450264636.db2.gz HXOZGNWPXLUJFX-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820683838 1450264640 /nfs/dbraw/zinc/26/46/40/1450264640.db2.gz HXOZGNWPXLUJFX-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820683838 1450264644 /nfs/dbraw/zinc/26/46/44/1450264644.db2.gz HXOZGNWPXLUJFX-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736558673 1450292972 /nfs/dbraw/zinc/29/29/72/1450292972.db2.gz PHCZISMZDXPDJK-UHFFFAOYSA-N 0 1 395.536 3.147 20 0 GGADMN CC(C)([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000735678445 1450299850 /nfs/dbraw/zinc/29/98/50/1450299850.db2.gz RBRCCJQNGXWUMP-UHFFFAOYSA-N 0 1 390.900 3.435 20 0 GGADMN CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735894355 1450318601 /nfs/dbraw/zinc/31/86/01/1450318601.db2.gz HBQQZZNZQAOIRN-FQEVSTJZSA-N 0 1 391.475 3.450 20 0 GGADMN CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735894355 1450318604 /nfs/dbraw/zinc/31/86/04/1450318604.db2.gz HBQQZZNZQAOIRN-FQEVSTJZSA-N 0 1 391.475 3.450 20 0 GGADMN c1[nH]c2ncccc2c1C1CC[NH+](CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738418439 1450323582 /nfs/dbraw/zinc/32/35/82/1450323582.db2.gz HVZYZCFUDAFJDK-UHFFFAOYSA-N 0 1 389.463 3.001 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000819876389 1450332440 /nfs/dbraw/zinc/33/24/40/1450332440.db2.gz GTENAQPJSWYQTJ-DYEKYZERSA-N 0 1 386.525 3.008 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000819876389 1450332443 /nfs/dbraw/zinc/33/24/43/1450332443.db2.gz GTENAQPJSWYQTJ-DYEKYZERSA-N 0 1 386.525 3.008 20 0 GGADMN Cc1cc(C[C@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)cs2)n(-c2ccccc2)n1 ZINC000822200236 1450342201 /nfs/dbraw/zinc/34/22/01/1450342201.db2.gz ZKUMMZGJKUCQRU-ZDUSSCGKSA-N 0 1 379.493 3.143 20 0 GGADMN Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826296121 1450391858 /nfs/dbraw/zinc/39/18/58/1450391858.db2.gz KBCPPILDKAKNPH-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN Clc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826352068 1450394639 /nfs/dbraw/zinc/39/46/39/1450394639.db2.gz MGDFKJNXWOVDTF-UHFFFAOYSA-N 0 1 390.900 3.456 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]2CCCO2)cc1 ZINC000822236152 1450401774 /nfs/dbraw/zinc/40/17/74/1450401774.db2.gz LVLAXKNJINDVKR-HXUWFJFHSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1ccc(CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]2CCCO2)cc1 ZINC000822236152 1450401775 /nfs/dbraw/zinc/40/17/75/1450401775.db2.gz LVLAXKNJINDVKR-HXUWFJFHSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]2CCCO2)cc1 ZINC000822236152 1450401776 /nfs/dbraw/zinc/40/17/76/1450401776.db2.gz LVLAXKNJINDVKR-HXUWFJFHSA-N 0 1 377.492 3.399 20 0 GGADMN CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000735831051 1450412684 /nfs/dbraw/zinc/41/26/84/1450412684.db2.gz MRQLTEWENAYLOR-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000736198323 1450416353 /nfs/dbraw/zinc/41/63/53/1450416353.db2.gz SGLUHJVTSZDAQM-SOUVJXGZSA-N 0 1 386.500 3.257 20 0 GGADMN c1ccc(C[N@@H+](CCOc2ccc(-c3nnn[n-]3)cc2)CC2CCOCC2)cc1 ZINC000738432258 1450419234 /nfs/dbraw/zinc/41/92/34/1450419234.db2.gz GAJVFDODIHVGLA-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(C[N@H+](CCOc2ccc(-c3nn[n-]n3)cc2)CC2CCOCC2)cc1 ZINC000738432258 1450419236 /nfs/dbraw/zinc/41/92/36/1450419236.db2.gz GAJVFDODIHVGLA-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(C[N@@H+](CCOc2ccc(-c3nn[n-]n3)cc2)CC2CCOCC2)cc1 ZINC000738432258 1450419240 /nfs/dbraw/zinc/41/92/40/1450419240.db2.gz GAJVFDODIHVGLA-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN Clc1cccc(CN2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822586447 1450419476 /nfs/dbraw/zinc/41/94/76/1450419476.db2.gz YXUWMKDZTUNDGN-MRXNPFEDSA-N 0 1 386.887 3.257 20 0 GGADMN C[C@H](C[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000824426442 1450425412 /nfs/dbraw/zinc/42/54/12/1450425412.db2.gz FKSQNPAQJKRHKN-OAHLLOKOSA-N 0 1 380.471 3.368 20 0 GGADMN COc1ccccc1[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC000821883552 1450432007 /nfs/dbraw/zinc/43/20/07/1450432007.db2.gz XMMKDBPPZWMUBI-OAHLLOKOSA-N 0 1 399.886 3.173 20 0 GGADMN O=C(CC[NH2+]C1(c2ccc(F)cc2)CCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737847462 1450446437 /nfs/dbraw/zinc/44/64/37/1450446437.db2.gz SKOFLGMROYRRDU-UHFFFAOYSA-N 0 1 386.456 3.065 20 0 GGADMN C[C@@H]1c2ccccc2CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736302191 1450463294 /nfs/dbraw/zinc/46/32/94/1450463294.db2.gz FLYBVQNDBKXTTM-GFCCVEGCSA-N 0 1 382.855 3.078 20 0 GGADMN C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736302191 1450463298 /nfs/dbraw/zinc/46/32/98/1450463298.db2.gz FLYBVQNDBKXTTM-GFCCVEGCSA-N 0 1 382.855 3.078 20 0 GGADMN C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736302191 1450463299 /nfs/dbraw/zinc/46/32/99/1450463299.db2.gz FLYBVQNDBKXTTM-GFCCVEGCSA-N 0 1 382.855 3.078 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825043708 1450464626 /nfs/dbraw/zinc/46/46/26/1450464626.db2.gz JUQWQMNKIAFHHQ-SFHVURJKSA-N 0 1 390.850 3.392 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000737526020 1450472888 /nfs/dbraw/zinc/47/28/88/1450472888.db2.gz VJZGWZUNLPFOAS-INIZCTEOSA-N 0 1 380.500 3.149 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292331 1450476561 /nfs/dbraw/zinc/47/65/61/1450476561.db2.gz JJWCHXJCKJXBOO-WWMYMODYSA-N 0 1 393.491 3.486 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292331 1450476565 /nfs/dbraw/zinc/47/65/65/1450476565.db2.gz JJWCHXJCKJXBOO-WWMYMODYSA-N 0 1 393.491 3.486 20 0 GGADMN FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000822728341 1450484219 /nfs/dbraw/zinc/48/42/19/1450484219.db2.gz HPCCJEPNWJHEHL-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000822728341 1450484223 /nfs/dbraw/zinc/48/42/23/1450484223.db2.gz HPCCJEPNWJHEHL-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN Fc1cccc(CN2CC[C@]23CCC[N@@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)c1 ZINC001139091727 1450489503 /nfs/dbraw/zinc/48/95/03/1450489503.db2.gz HMPXJFKDDFEGGE-QFIPXVFZSA-N 0 1 392.482 3.246 20 0 GGADMN C[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2ccccc2C1 ZINC000824429868 1450490459 /nfs/dbraw/zinc/49/04/59/1450490459.db2.gz ZUARFHMFISPGIM-KSFYIVLOSA-N 0 1 388.519 3.281 20 0 GGADMN CSc1ccccc1CN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826231519 1450493342 /nfs/dbraw/zinc/49/33/42/1450493342.db2.gz OOOURZQYXHTUSU-UHFFFAOYSA-N 0 1 394.548 3.297 20 0 GGADMN CSc1ccccc1CN1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826231519 1450493345 /nfs/dbraw/zinc/49/33/45/1450493345.db2.gz OOOURZQYXHTUSU-UHFFFAOYSA-N 0 1 394.548 3.297 20 0 GGADMN CSc1ccccc1CN1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826231519 1450493348 /nfs/dbraw/zinc/49/33/48/1450493348.db2.gz OOOURZQYXHTUSU-UHFFFAOYSA-N 0 1 394.548 3.297 20 0 GGADMN CSc1ccccc1C[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826231519 1450493351 /nfs/dbraw/zinc/49/33/51/1450493351.db2.gz OOOURZQYXHTUSU-UHFFFAOYSA-N 0 1 394.548 3.297 20 0 GGADMN CSc1ccccc1C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826231519 1450493354 /nfs/dbraw/zinc/49/33/54/1450493354.db2.gz OOOURZQYXHTUSU-UHFFFAOYSA-N 0 1 394.548 3.297 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000738423792 1450495765 /nfs/dbraw/zinc/49/57/65/1450495765.db2.gz VARBHRMHBBNYCZ-GOSISDBHSA-N 0 1 391.475 3.119 20 0 GGADMN c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738423792 1450495766 /nfs/dbraw/zinc/49/57/66/1450495766.db2.gz VARBHRMHBBNYCZ-GOSISDBHSA-N 0 1 391.475 3.119 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738423792 1450495770 /nfs/dbraw/zinc/49/57/70/1450495770.db2.gz VARBHRMHBBNYCZ-GOSISDBHSA-N 0 1 391.475 3.119 20 0 GGADMN Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822194216 1450499733 /nfs/dbraw/zinc/49/97/33/1450499733.db2.gz NQSQDKQMLMDIQL-UHFFFAOYSA-N 0 1 382.443 3.002 20 0 GGADMN Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)c(C)c1 ZINC000822194216 1450499736 /nfs/dbraw/zinc/49/97/36/1450499736.db2.gz NQSQDKQMLMDIQL-UHFFFAOYSA-N 0 1 382.443 3.002 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1C ZINC000822557418 1450517502 /nfs/dbraw/zinc/51/75/02/1450517502.db2.gz ICVCPYPDDZCETR-GLQYFDAESA-N 0 1 388.541 3.384 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000821805308 1450522876 /nfs/dbraw/zinc/52/28/76/1450522876.db2.gz SUXJGKMRCQHUTJ-MRXNPFEDSA-N 0 1 383.427 3.406 20 0 GGADMN CN1CCN(c2ccc(N3CCC4(CCCc5ccccc54)CC3)nn2)CC1 ZINC001164386887 718813685 /nfs/dbraw/zinc/81/36/85/718813685.db2.gz BJHZYIKAHARDAR-UHFFFAOYSA-N 0 1 377.536 3.103 20 0 GGADMN CN1CCO[C@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@@H]21 ZINC001164668041 719402686 /nfs/dbraw/zinc/40/26/86/719402686.db2.gz POSUYDLFFWALGN-VXKWHMMOSA-N 0 1 375.472 3.333 20 0 GGADMN CN1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@@H]21 ZINC001164670578 719434600 /nfs/dbraw/zinc/43/46/00/719434600.db2.gz ORSSCYVSZCINTR-OALUTQOASA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C[C@@H]21 ZINC001164674834 719436974 /nfs/dbraw/zinc/43/69/74/719436974.db2.gz XPYTZCBQNFOHIB-OALUTQOASA-N 0 1 382.414 3.094 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164673779 719442522 /nfs/dbraw/zinc/44/25/22/719442522.db2.gz ULMKGKGLIVVOAY-KBPBESRZSA-N 0 1 398.557 3.428 20 0 GGADMN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC000301680221 719462348 /nfs/dbraw/zinc/46/23/48/719462348.db2.gz UUUMBAUOPMBIQB-SJORKVTESA-N 0 1 396.516 3.024 20 0 GGADMN CN1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C[C@@H]21 ZINC001164666544 719479693 /nfs/dbraw/zinc/47/96/93/719479693.db2.gz DCPSPKWGKISUMG-LSDHHAIUSA-N 0 1 381.263 3.095 20 0 GGADMN CN1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3Cl)C[C@H]21 ZINC001164666891 719481066 /nfs/dbraw/zinc/48/10/66/719481066.db2.gz HBWHZRTUADSNDR-HIFRSBDPSA-N 0 1 381.263 3.095 20 0 GGADMN CN1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3Cl)C[C@@H]21 ZINC001164666888 719481182 /nfs/dbraw/zinc/48/11/82/719481182.db2.gz HBWHZRTUADSNDR-DZGCQCFKSA-N 0 1 381.263 3.095 20 0 GGADMN CCOc1ccnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001164671175 719506037 /nfs/dbraw/zinc/50/60/37/719506037.db2.gz CHRKXVBDNLMCHN-UHFFFAOYSA-N 0 1 385.483 3.491 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2nccc(NC4CC4)n2)CC3)cs1 ZINC001164690891 719803293 /nfs/dbraw/zinc/80/32/93/719803293.db2.gz BYUUDECHSABVSI-UHFFFAOYSA-N 0 1 384.553 3.451 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ncnc4ncccc42)CC3)cs1 ZINC001164691736 719805113 /nfs/dbraw/zinc/80/51/13/719805113.db2.gz JNELMPRHJVJXRX-UHFFFAOYSA-N 0 1 380.521 3.425 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ccc(-n4ccnc4)nn2)CC3)cs1 ZINC001164691281 719811501 /nfs/dbraw/zinc/81/15/01/719811501.db2.gz DCPATAKEPJCSEZ-UHFFFAOYSA-N 0 1 395.536 3.062 20 0 GGADMN Cc1nnc(Cl)cc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695705 719889020 /nfs/dbraw/zinc/88/90/20/719889020.db2.gz RVVBQIZLCHFHHH-UHFFFAOYSA-N 0 1 378.929 3.371 20 0 GGADMN CCO[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164715104 720059339 /nfs/dbraw/zinc/05/93/39/720059339.db2.gz RRDFRKUMDRQJHZ-WMTXJRDZSA-N 0 1 393.531 3.413 20 0 GGADMN c1ccc(COc2cncc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725573 720351347 /nfs/dbraw/zinc/35/13/47/720351347.db2.gz NTSJIRBYAWOYLL-SFTDATJTSA-N 0 1 387.487 3.304 20 0 GGADMN Clc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722951 720365796 /nfs/dbraw/zinc/36/57/96/720365796.db2.gz DVKBTZBQHPMQEI-ZWKOTPCHSA-N 0 1 392.894 3.440 20 0 GGADMN Clc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722949 720366560 /nfs/dbraw/zinc/36/65/60/720366560.db2.gz DVKBTZBQHPMQEI-ROUUACIJSA-N 0 1 392.894 3.440 20 0 GGADMN c1ccc(COc2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164727762 720382390 /nfs/dbraw/zinc/38/23/90/720382390.db2.gz RIOXPQUTZFYOFG-SFTDATJTSA-N 0 1 387.487 3.304 20 0 GGADMN c1ccc(COc2cnnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164724278 720400002 /nfs/dbraw/zinc/40/00/02/720400002.db2.gz IWZOWRYTSLPUJP-FCHUYYIVSA-N 0 1 387.487 3.304 20 0 GGADMN c1ccc(COc2cnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)cn2)cc1 ZINC001164726923 720416845 /nfs/dbraw/zinc/41/68/45/720416845.db2.gz CGQYRAGKOAHXMT-RTWAWAEBSA-N 0 1 387.487 3.304 20 0 GGADMN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164728583 720421447 /nfs/dbraw/zinc/42/14/47/720421447.db2.gz FSRCADSLIYYHEL-OLZOCXBDSA-N 0 1 397.882 3.212 20 0 GGADMN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2cncc(OCC3CCCC3)n2)c1 ZINC001164730272 720475826 /nfs/dbraw/zinc/47/58/26/720475826.db2.gz UBRAYIVVNMMQOE-UXHICEINSA-N 0 1 379.508 3.294 20 0 GGADMN FC(F)(c1ccc(Cl)nc1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164733301 720548927 /nfs/dbraw/zinc/54/89/27/720548927.db2.gz KXYQWMQLIIRISI-UHFFFAOYSA-N 0 1 381.858 3.135 20 0 GGADMN FC(F)(c1cccnc1Cl)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164732633 720550179 /nfs/dbraw/zinc/55/01/79/720550179.db2.gz AZGZBWWOUSDSNE-UHFFFAOYSA-N 0 1 381.858 3.135 20 0 GGADMN Fc1c(Cl)nccc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164732666 720550906 /nfs/dbraw/zinc/55/09/06/720550906.db2.gz CHWWWRHIIPJLMJ-UHFFFAOYSA-N 0 1 399.848 3.274 20 0 GGADMN COc1ccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)ccc2c1 ZINC001164732932 720559386 /nfs/dbraw/zinc/55/93/86/720559386.db2.gz FNCHWTITDPGBHI-UHFFFAOYSA-N 0 1 377.492 3.098 20 0 GGADMN Fc1ccc(-c2ccnc(N3CCc4ncc(CN5CCCC5)n4CC3)n2)cc1 ZINC001164730429 720561264 /nfs/dbraw/zinc/56/12/64/720561264.db2.gz VOBHLRSDGKASAC-UHFFFAOYSA-N 0 1 392.482 3.138 20 0 GGADMN Fc1ccc(Cl)nc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164729744 720563169 /nfs/dbraw/zinc/56/31/69/720563169.db2.gz URKWTJOADPZIJV-UHFFFAOYSA-N 0 1 399.848 3.274 20 0 GGADMN CCc1c(Cl)nnc(N2CCc3ncc(CN4CCCC4)n3CC2)c1CC ZINC001164727133 720565729 /nfs/dbraw/zinc/56/57/29/720565729.db2.gz BKDIBAHMKVHAQG-UHFFFAOYSA-N 0 1 388.947 3.110 20 0 GGADMN Cc1ccc2c(c1)nc(Cl)nc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164727965 720565952 /nfs/dbraw/zinc/56/59/52/720565952.db2.gz GULVVRNANUABTP-UHFFFAOYSA-N 0 1 396.926 3.447 20 0 GGADMN Clc1ccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)ncc2c1 ZINC001164730353 720567227 /nfs/dbraw/zinc/56/72/27/720567227.db2.gz UVIIWYXMBDZVPR-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Clc1ccc2c(cnnc2N2CCc3ncc(CN4CCCC4)n3CC2)c1 ZINC001164728895 720568514 /nfs/dbraw/zinc/56/85/14/720568514.db2.gz PHNMKZGPROYPGP-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Cc1ccc(Cl)nc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164727961 720571531 /nfs/dbraw/zinc/57/15/31/720571531.db2.gz GTODIVQATWEVML-UHFFFAOYSA-N 0 1 395.885 3.443 20 0 GGADMN CCc1cc2c(nc(Cl)nc2N2CCc3ncc(CN4CCCC4)n3CC2)[nH]1 ZINC001164736321 720575648 /nfs/dbraw/zinc/57/56/48/720575648.db2.gz IGMMRCNABKZQDD-UHFFFAOYSA-N 0 1 399.930 3.029 20 0 GGADMN CCc1nc(Cl)c(N2CCc3ncc(CN4CCCC4)n3CC2)c(Cl)n1 ZINC001164736368 720585296 /nfs/dbraw/zinc/58/52/96/720585296.db2.gz KUOASYNSXXXVSD-UHFFFAOYSA-N 0 1 395.338 3.201 20 0 GGADMN FC(F)c1nc2ccccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736150 720586031 /nfs/dbraw/zinc/58/60/31/720586031.db2.gz DXVYYPQMZZAJRX-UHFFFAOYSA-N 0 1 398.461 3.422 20 0 GGADMN COC(=O)c1c(Cl)ccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164856839 720929723 /nfs/dbraw/zinc/92/97/23/720929723.db2.gz LBHZODUTYWJJIH-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN COC(=O)c1cc(Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857750 720930483 /nfs/dbraw/zinc/93/04/83/720930483.db2.gz MHQPJQYKMQOMFK-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN CCOC(=O)c1cc(F)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164859350 720934001 /nfs/dbraw/zinc/93/40/01/720934001.db2.gz MXESOHYGLKMDNC-AWEZNQCLSA-N 0 1 389.475 3.015 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3nc(Cl)ccc31)[C@@H]2C ZINC001164858564 720934111 /nfs/dbraw/zinc/93/41/11/720934111.db2.gz JEXXVJCOCVMBKT-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ncccc31)[C@H]2C ZINC001164861803 720935265 /nfs/dbraw/zinc/93/52/65/720935265.db2.gz UFEOLEMBPJDZIJ-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN CCOC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c(C)c1 ZINC001164856977 720942852 /nfs/dbraw/zinc/94/28/52/720942852.db2.gz DKAAIVQLUJDSKR-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN CCOc1nc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164858708 720946215 /nfs/dbraw/zinc/94/62/15/720946215.db2.gz KLLFSBMMIWIMIK-CYBMUJFWSA-N 0 1 378.908 3.147 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3c1C(=O)OC3(C)C)[C@@H]2C ZINC001164863056 720953122 /nfs/dbraw/zinc/95/31/22/720953122.db2.gz XSORNFMQKFVOTB-CQSZACIVSA-N 0 1 383.496 3.105 20 0 GGADMN COc1ccc2c(c1)ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164860015 720960621 /nfs/dbraw/zinc/96/06/21/720960621.db2.gz PDTSUFVVQNDJIC-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN COc1nc(Cl)nc(C)c1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164863161 720961309 /nfs/dbraw/zinc/96/13/09/720961309.db2.gz YLUDTOWGYNHMBG-CYBMUJFWSA-N 0 1 378.908 3.065 20 0 GGADMN CCOC(=O)c1cc(C)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164863196 720961991 /nfs/dbraw/zinc/96/19/91/720961991.db2.gz YPIZHGOCJPFAIJ-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@H](F)Oc1ccc(Cl)nc1)[C@H]2C ZINC001164860063 720963240 /nfs/dbraw/zinc/96/32/40/720963240.db2.gz PNTDQXXKHPYXGC-UGSOOPFHSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(Cl)c3cccnc31)[C@H]2C ZINC001164861889 720963275 /nfs/dbraw/zinc/96/32/75/720963275.db2.gz URWIHDFFZBODQD-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ncsc31)[C@@H]2C ZINC001164859945 720963939 /nfs/dbraw/zinc/96/39/39/720963939.db2.gz OPGVRHXUFBVNCV-LLVKDONJSA-N 0 1 391.932 3.358 20 0 GGADMN CCOc1c(Cl)ncnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164859770 720969171 /nfs/dbraw/zinc/96/91/71/720969171.db2.gz MMLKOMHOAXOCEB-ZDUSSCGKSA-N 0 1 378.908 3.147 20 0 GGADMN COc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc2ccccc21 ZINC001164864199 720973215 /nfs/dbraw/zinc/97/32/15/720973215.db2.gz ZJNRSTJNDUBSHS-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc3ncn(C(C)C)c3n1)[C@@H]2C ZINC001164864168 721002724 /nfs/dbraw/zinc/00/27/24/721002724.db2.gz YOQLZHTUUGVXLE-OAHLLOKOSA-N 0 1 382.516 3.025 20 0 GGADMN COc1cccc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c21 ZINC001164860648 721004588 /nfs/dbraw/zinc/00/45/88/721004588.db2.gz PIEFJSHYHBQXIM-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)OC(=O)c1cccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859574 721017651 /nfs/dbraw/zinc/01/76/51/721017651.db2.gz JMXDNLJQCIIRKI-MRXNPFEDSA-N 0 1 385.512 3.265 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccnc(-c3nccs3)n1)[C@@H]2C ZINC001164858862 721021822 /nfs/dbraw/zinc/02/18/22/721021822.db2.gz IAVAFRZEKOKQPK-CQSZACIVSA-N 0 1 383.525 3.218 20 0 GGADMN FC(F)(c1ccc(Cl)nc1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866848 721039695 /nfs/dbraw/zinc/03/96/95/721039695.db2.gz GHIMGDNMKCIXGA-IRXDYDNUSA-N 0 1 394.853 3.155 20 0 GGADMN Clc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164868431 721048195 /nfs/dbraw/zinc/04/81/95/721048195.db2.gz OKHIFPYDXKOFSG-CVEARBPZSA-N 0 1 379.291 3.263 20 0 GGADMN CN1CCN(c2cccc(N3CCC[C@]4(C[C@H](c5ccccc5)CO4)C3)n2)CC1 ZINC001164764973 721060113 /nfs/dbraw/zinc/06/01/13/721060113.db2.gz BYWULGBPBRCHLF-URXFXBBRSA-N 0 1 392.547 3.377 20 0 GGADMN Cc1cc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc(Cl)n1 ZINC001164768635 721077393 /nfs/dbraw/zinc/07/73/93/721077393.db2.gz OAXJNQBRGRURHL-CVEARBPZSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1cc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cc(Cl)n1 ZINC001164768645 721077474 /nfs/dbraw/zinc/07/74/74/721077474.db2.gz OAXJNQBRGRURHL-HZPDHXFCSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1cc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164768649 721079158 /nfs/dbraw/zinc/07/91/58/721079158.db2.gz OAXJNQBRGRURHL-JKSUJKDBSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc2nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164765579 721117985 /nfs/dbraw/zinc/11/79/85/721117985.db2.gz JIUMMBLGWSTNCD-SJORKVTESA-N 0 1 396.926 3.283 20 0 GGADMN Cc1ccc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164765576 721118522 /nfs/dbraw/zinc/11/85/22/721118522.db2.gz JIUMMBLGWSTNCD-DLBZAZTESA-N 0 1 396.926 3.283 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(F)c4)C[C@@H]3C2)cn1 ZINC001164772719 721119794 /nfs/dbraw/zinc/11/97/94/721119794.db2.gz VRNAXDJVMPFEBR-KGLIPLIRSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc(Cl)ncc4F)C[C@H]3C2)cn1 ZINC001164762159 721128647 /nfs/dbraw/zinc/12/86/47/721128647.db2.gz CIKLQZXQTCJJHF-UONOGXRCSA-N 0 1 399.848 3.111 20 0 GGADMN CSc1cc(Cl)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164873585 721132000 /nfs/dbraw/zinc/13/20/00/721132000.db2.gz ISITZQLGPLSXSS-DLBZAZTESA-N 0 1 390.940 3.332 20 0 GGADMN Cc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164771873 721182391 /nfs/dbraw/zinc/18/23/91/721182391.db2.gz RNOKENQUOPXGLA-LSDHHAIUSA-N 0 1 380.323 3.389 20 0 GGADMN CCc1nc(Cl)nc(Cl)c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164760158 721239586 /nfs/dbraw/zinc/23/95/86/721239586.db2.gz CPYVEHBGZLFGSX-UONOGXRCSA-N 0 1 395.338 3.038 20 0 GGADMN CCc1nc(Cl)nc(Cl)c1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164760160 721239773 /nfs/dbraw/zinc/23/97/73/721239773.db2.gz CPYVEHBGZLFGSX-ZIAGYGMSSA-N 0 1 395.338 3.038 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc(Cl)n3)C2)C1 ZINC001164778411 721332814 /nfs/dbraw/zinc/33/28/14/721332814.db2.gz VNXXTZFPVDNJQE-HXUWFJFHSA-N 0 1 390.915 3.459 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccccc5n4)C3)O2)CC1 ZINC001164888587 721381759 /nfs/dbraw/zinc/38/17/59/721381759.db2.gz KFLJHNJVDAOLMN-REWPJTCUSA-N 0 1 380.536 3.000 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4Cl)C3)O2)CC1 ZINC001164891418 721402368 /nfs/dbraw/zinc/40/23/68/721402368.db2.gz WAOFZFJCSNLWED-HNAYVOBHSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)ccnc4Cl)C3)O2)CC1 ZINC001164890081 721408181 /nfs/dbraw/zinc/40/81/81/721408181.db2.gz SCJSAYWCWSXCQR-KXBFYZLASA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)c5ccccc54)C3)O2)CC1 ZINC001164889790 721414887 /nfs/dbraw/zinc/41/48/87/721414887.db2.gz RMBLIRKLQRXUMI-MBSDFSHPSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5c(F)cccc54)C3)O2)CC1 ZINC001164891047 721417490 /nfs/dbraw/zinc/41/74/90/721417490.db2.gz VBXSPBSRQFCTHL-FDDCHVKYSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164899843 721436528 /nfs/dbraw/zinc/43/65/28/721436528.db2.gz ZIHXTEXJLGAPJL-NFBKMPQASA-N 0 1 398.526 3.139 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)ncn4)CCN3C2)c1 ZINC001164898033 721507985 /nfs/dbraw/zinc/50/79/85/721507985.db2.gz HBTGIZCAMXXKAE-ZFWWWQNUSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)cc4Cl)CCN3C2)c1 ZINC001164898527 721514314 /nfs/dbraw/zinc/51/43/14/721514314.db2.gz IHCWIYMLHHYQEW-TZMCWYRMSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nccc(Cl)n4)CCN3C2)c1 ZINC001164896949 721515987 /nfs/dbraw/zinc/51/59/87/721515987.db2.gz CYTIMRDYCPNWFY-ZFWWWQNUSA-N 0 1 398.816 3.156 20 0 GGADMN CCc1ncnc(Cl)c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897268 721516053 /nfs/dbraw/zinc/51/60/53/721516053.db2.gz FNYPRLBJSHAWKZ-GOEBONIOSA-N 0 1 376.863 3.173 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nccc(Cl)n4)CCN3C2)c1 ZINC001164896947 721516170 /nfs/dbraw/zinc/51/61/70/721516170.db2.gz CYTIMRDYCPNWFY-HIFRSBDPSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc(Cl)nn4)CCN3C2)c1 ZINC001164900133 721519427 /nfs/dbraw/zinc/51/94/27/721519427.db2.gz OKDNJDSEOZHDEF-ZFWWWQNUSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4)CCN3C2)c1 ZINC001164900045 721519761 /nfs/dbraw/zinc/51/97/61/721519761.db2.gz NNPOVSFINMLANA-GDBMZVCRSA-N 0 1 398.816 3.156 20 0 GGADMN Cc1nc(C)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164910990 721528364 /nfs/dbraw/zinc/52/83/64/721528364.db2.gz UWPFQFKIFLDYQW-WBVHZDCISA-N 0 1 376.863 3.228 20 0 GGADMN Cc1nc(C)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)n1 ZINC001164910988 721528942 /nfs/dbraw/zinc/52/89/42/721528942.db2.gz UWPFQFKIFLDYQW-RDJZCZTQSA-N 0 1 376.863 3.228 20 0 GGADMN Cc1nc(C(C)C)cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806136 721530209 /nfs/dbraw/zinc/53/02/09/721530209.db2.gz OFDVYBGCBVSVBB-ONTIZHBOSA-N 0 1 381.524 3.172 20 0 GGADMN COc1ccc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911377 721535230 /nfs/dbraw/zinc/53/52/30/721535230.db2.gz WOCIDOBGPPRKFF-ZBFHGGJFSA-N 0 1 377.847 3.225 20 0 GGADMN CSc1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905272 721537244 /nfs/dbraw/zinc/53/72/44/721537244.db2.gz IASNCXQYUPVKNO-DZGCQCFKSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1nc2ccccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164809958 721539327 /nfs/dbraw/zinc/53/93/27/721539327.db2.gz VXDUIQQHDWMUIP-FSSWDIPSSA-N 0 1 389.503 3.201 20 0 GGADMN Cc1cccc2c1ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804318 721539790 /nfs/dbraw/zinc/53/97/90/721539790.db2.gz JNEKTDSVSIKDMN-ONTIZHBOSA-N 0 1 389.503 3.201 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164811182 721541501 /nfs/dbraw/zinc/54/15/01/721541501.db2.gz ZGWAKOLCFPPDNJ-DWLFOUALSA-N 0 1 398.938 3.487 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5nc[nH]c5cc4Cl)CCN3C2)c1 ZINC001164909954 721541589 /nfs/dbraw/zinc/54/15/89/721541589.db2.gz SOMIUVWAYYSNFL-UKRRQHHQSA-N 0 1 387.846 3.092 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5nc[nH]c5cc4Cl)CCN3C2)c1 ZINC001164909950 721541894 /nfs/dbraw/zinc/54/18/94/721541894.db2.gz SOMIUVWAYYSNFL-DZGCQCFKSA-N 0 1 387.846 3.092 20 0 GGADMN Cc1c[nH]c2nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ccc12 ZINC001164807809 721543030 /nfs/dbraw/zinc/54/30/30/721543030.db2.gz RJZJPDLPPBKIFI-DYXWJJEUSA-N 0 1 377.492 3.135 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCCC3)[C@H]2CCCO[C@@H]12 ZINC001164811138 721547574 /nfs/dbraw/zinc/54/75/74/721547574.db2.gz YVGYBTPHVDQMLH-QZNHQXDQSA-N 0 1 378.520 3.224 20 0 GGADMN Cc1nc(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805238 721548335 /nfs/dbraw/zinc/54/83/35/721548335.db2.gz LJQKSUXYQKCPAG-AOIWGVFYSA-N 0 1 387.915 3.010 20 0 GGADMN Cc1nc(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164805244 721548671 /nfs/dbraw/zinc/54/86/71/721548671.db2.gz LJQKSUXYQKCPAG-LNLFQRSKSA-N 0 1 387.915 3.010 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nccnc4Cl)CCN3C2)c1 ZINC001164909826 721549435 /nfs/dbraw/zinc/54/94/35/721549435.db2.gz SAFSVLVIDWXAOM-HIFRSBDPSA-N 0 1 398.816 3.156 20 0 GGADMN CSc1cnc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903910 721549854 /nfs/dbraw/zinc/54/98/54/721549854.db2.gz DJDJKTSONPUVNU-UKRRQHHQSA-N 0 1 394.903 3.333 20 0 GGADMN CSc1cnc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903913 721550007 /nfs/dbraw/zinc/55/00/07/721550007.db2.gz DJDJKTSONPUVNU-ZFWWWQNUSA-N 0 1 394.903 3.333 20 0 GGADMN CC(C)Oc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805767 721560881 /nfs/dbraw/zinc/56/08/81/721560881.db2.gz ORYDTMMBFZDRQS-IPJJNNNSSA-N 0 1 382.508 3.132 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2[nH]ccc21 ZINC001164801500 721566379 /nfs/dbraw/zinc/56/63/79/721566379.db2.gz GUENKQADSGPIED-IRFCIJBXSA-N 0 1 377.492 3.135 20 0 GGADMN CCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(C)n1 ZINC001164810444 721566551 /nfs/dbraw/zinc/56/65/51/721566551.db2.gz YJHVNJCNRRJSAQ-JAXLGGSGSA-N 0 1 381.524 3.001 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2[nH]ccc21 ZINC001164801505 721566571 /nfs/dbraw/zinc/56/65/71/721566571.db2.gz GUENKQADSGPIED-SVFBPWRDSA-N 0 1 377.492 3.135 20 0 GGADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)c1 ZINC001164806373 721566710 /nfs/dbraw/zinc/56/67/10/721566710.db2.gz QIHSHMPLOYYPKV-QYZOEREBSA-N 0 1 388.899 3.007 20 0 GGADMN CC(C)COc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164802404 721571320 /nfs/dbraw/zinc/57/13/20/721571320.db2.gz IHKWLUNAGQIALX-SXWKCWPCSA-N 0 1 396.535 3.380 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164811286 721577962 /nfs/dbraw/zinc/57/79/62/721577962.db2.gz XDFXPAWMFVRABE-OPYAIIAOSA-N 0 1 381.524 3.037 20 0 GGADMN CSCc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164806308 721584454 /nfs/dbraw/zinc/58/44/54/721584454.db2.gz MXGPKPVMIRYVEA-ZJOUEHCJSA-N 0 1 384.549 3.208 20 0 GGADMN CSCc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806298 721584686 /nfs/dbraw/zinc/58/46/86/721584686.db2.gz MXGPKPVMIRYVEA-IRFCIJBXSA-N 0 1 384.549 3.208 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C3CCC3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164812267 721586442 /nfs/dbraw/zinc/58/64/42/721586442.db2.gz ZUILGUYEBNWIDP-SJBKTWHCSA-N 0 1 379.508 3.007 20 0 GGADMN Cc1cc2ccncc2nc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164802625 721586642 /nfs/dbraw/zinc/58/66/42/721586642.db2.gz HKJLJLGYFVOJGV-FDFHNCONSA-N 0 1 389.503 3.201 20 0 GGADMN FC1(F)CCN(c2cncnc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907092 721587501 /nfs/dbraw/zinc/58/75/01/721587501.db2.gz RLMUASNSDAFDAI-QGZVFWFLSA-N 0 1 379.842 3.263 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3cc(Cl)ccc3n2)CC1 ZINC001165008750 721731602 /nfs/dbraw/zinc/73/16/02/721731602.db2.gz PKQTXKJKZDEAQP-UHFFFAOYSA-N 0 1 386.927 3.411 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(Cl)nc3ccsc32)CC1 ZINC001165011119 721734440 /nfs/dbraw/zinc/73/44/40/721734440.db2.gz MGDCOGXEDIEKRD-UHFFFAOYSA-N 0 1 392.956 3.473 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(Cl)nc3sccc32)CC1 ZINC001165010690 721735175 /nfs/dbraw/zinc/73/51/75/721735175.db2.gz KRPWLWRALOSREG-UHFFFAOYSA-N 0 1 392.956 3.473 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3cccc(Cl)c3n2)CC1 ZINC001165010665 721735708 /nfs/dbraw/zinc/73/57/08/721735708.db2.gz JNDCRJXNFIPTJG-UHFFFAOYSA-N 0 1 386.927 3.411 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2nccc3cccc(Cl)c32)CC1 ZINC001165010688 721738066 /nfs/dbraw/zinc/73/80/66/721738066.db2.gz KOZZMYQAKWKRRS-UHFFFAOYSA-N 0 1 386.927 3.411 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(SC)ncn2)CC1 ZINC001165023480 721839115 /nfs/dbraw/zinc/83/91/15/721839115.db2.gz ZLHMULNWAXPQPW-UHFFFAOYSA-N 0 1 388.537 3.317 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cccc(NC(C)=O)n2)CC1 ZINC001165023437 721840792 /nfs/dbraw/zinc/84/07/92/721840792.db2.gz XIPLJKAZCGJDQQ-UHFFFAOYSA-N 0 1 398.507 3.158 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc3cccnc3n2)CC1 ZINC001165023387 721841255 /nfs/dbraw/zinc/84/12/55/721841255.db2.gz ZOWIUJLQMAUWJC-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc(Cl)cc2N)CC1 ZINC001165022783 721843013 /nfs/dbraw/zinc/84/30/13/721843013.db2.gz ULVXJDFOEQOBTF-UHFFFAOYSA-N 0 1 390.915 3.435 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nnc3ccccc3n2)CC1 ZINC001165022732 721843744 /nfs/dbraw/zinc/84/37/44/721843744.db2.gz SWXFOKNJBJWJBO-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(Cl)c(N)n2)CC1 ZINC001165031023 721845231 /nfs/dbraw/zinc/84/52/31/721845231.db2.gz OSVIYTYHVBAHLQ-UHFFFAOYSA-N 0 1 390.915 3.435 20 0 GGADMN COc1cc2nc(Cl)c(N3CCN(C4CCCC4)CC3)nc2cc1OC ZINC001165029192 721856789 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GXVUFUFSJGNQRC-UHFFFAOYSA-N 0 1 381.524 3.114 20 0 GGADMN c1nc2c(ccnc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)s1 ZINC001164963857 722056880 /nfs/dbraw/zinc/05/68/80/722056880.db2.gz ONWCFQALZTVRSC-UHFFFAOYSA-N 0 1 395.532 3.205 20 0 GGADMN CC(C)(C)c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nn1 ZINC001164963357 722060124 /nfs/dbraw/zinc/06/01/24/722060124.db2.gz XHJBLQCNUIZFSS-UHFFFAOYSA-N 0 1 395.551 3.288 20 0 GGADMN Fc1ccc(-c2nc(Cl)cc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)n2)cc1 ZINC001164966664 722076151 /nfs/dbraw/zinc/07/61/51/722076151.db2.gz FQCHBWTVYBUXTC-CALCHBBNSA-N 0 1 388.874 3.236 20 0 GGADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967442 722076192 /nfs/dbraw/zinc/07/61/92/722076192.db2.gz QGHMEEDQWFGKHO-HDICACEKSA-N 0 1 384.911 3.405 20 0 GGADMN Fc1ccc(COc2cccnc2N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cc1 ZINC001164966920 722076243 /nfs/dbraw/zinc/07/62/43/722076243.db2.gz GZWDOOFBEOKJBU-BGYRXZFFSA-N 0 1 383.467 3.099 20 0 GGADMN Fc1ccc(-c2ccc(Cl)nn2)cc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967844 722076639 /nfs/dbraw/zinc/07/66/39/722076639.db2.gz ZFALAAIWTBIEPE-IYBDPMFKSA-N 0 1 388.874 3.236 20 0 GGADMN c1cc2c(nc(-c3ccccn3)nc2N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)s1 ZINC001164968090 722076916 /nfs/dbraw/zinc/07/69/16/722076916.db2.gz PZBULSKDQRJEPJ-IYBDPMFKSA-N 0 1 393.516 3.053 20 0 GGADMN Fc1ccc2nc(C(F)F)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1 ZINC001164968026 722076997 /nfs/dbraw/zinc/07/69/97/722076997.db2.gz OSHVCBXZHNXAHE-OKILXGFUSA-N 0 1 378.398 3.006 20 0 GGADMN Clc1ccc2c(Cl)ncnc2c1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164968208 722077768 /nfs/dbraw/zinc/07/77/68/722077768.db2.gz WACNAVYOCYWJDS-BETUJISGSA-N 0 1 379.291 3.236 20 0 GGADMN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164982197 722112214 /nfs/dbraw/zinc/11/22/14/722112214.db2.gz WKLIHTTXSNTTSC-DENIHFKCSA-N 0 1 389.503 3.061 20 0 GGADMN Cc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164985072 722135023 /nfs/dbraw/zinc/13/50/23/722135023.db2.gz ZCDPPJAGJKIRCC-PKOBYXMFSA-N 0 1 395.532 3.122 20 0 GGADMN Cc1csc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164982813 722136306 /nfs/dbraw/zinc/13/63/06/722136306.db2.gz SSSFCBGALYWHQF-MSOLQXFVSA-N 0 1 395.532 3.122 20 0 GGADMN CCOc1ccnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164994613 722181318 /nfs/dbraw/zinc/18/13/18/722181318.db2.gz ZQJWYAKDTGJCTR-OALUTQOASA-N 0 1 388.537 3.115 20 0 GGADMN CCOC(=O)c1cc(C)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164992825 722196786 /nfs/dbraw/zinc/19/67/86/722196786.db2.gz BBIKXOITOMGCJI-QFIPXVFZSA-N 0 1 398.482 3.346 20 0 GGADMN NC(=O)c1ccc(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995533 722200602 /nfs/dbraw/zinc/20/06/02/722200602.db2.gz NZUPYFGEGDSCRI-HXUWFJFHSA-N 0 1 388.874 3.218 20 0 GGADMN O=C(NC1CC1)c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164997286 722202072 /nfs/dbraw/zinc/20/20/72/722202072.db2.gz YNAQEOSVZBQRQI-QHCPKHFHSA-N 0 1 394.494 3.358 20 0 GGADMN Fc1cccc(CN2CC[C@]23CCCN(c2[nH+][n-]c(Cl)c4ncnc2-4)C3)c1 ZINC001164994039 722203150 /nfs/dbraw/zinc/20/31/50/722203150.db2.gz DQHMFMSGMNNGBH-IBGZPJMESA-N 0 1 386.862 3.390 20 0 GGADMN CCNC(=O)c1cccnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994930 722203219 /nfs/dbraw/zinc/20/32/19/722203219.db2.gz JUWVWFPZVNLXFT-JOCHJYFZSA-N 0 1 382.483 3.215 20 0 GGADMN Fc1cccc(CN2CC[C@]23CCCN(c2ncc(OC(F)F)cn2)C3)c1 ZINC001164995357 722203348 /nfs/dbraw/zinc/20/33/48/722203348.db2.gz MIZGTCKYYJVNMP-IBGZPJMESA-N 0 1 378.398 3.462 20 0 GGADMN Fc1cccc(CN2CC[C@@]23CCCN(c2[nH+][n-]c(Cl)c4ncnc2-4)C3)c1 ZINC001164994040 722203545 /nfs/dbraw/zinc/20/35/45/722203545.db2.gz DQHMFMSGMNNGBH-LJQANCHMSA-N 0 1 386.862 3.390 20 0 GGADMN Fc1cccc(CN2CC[C@]23CCCN(c2cncc(N4CCCC4)n2)C3)c1 ZINC001164994512 722205296 /nfs/dbraw/zinc/20/52/96/722205296.db2.gz IFTMANJPVXWZDR-QFIPXVFZSA-N 0 1 381.499 3.461 20 0 GGADMN CCNC(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164994107 722207551 /nfs/dbraw/zinc/20/75/51/722207551.db2.gz GBSXFCZWXQBQAS-JOCHJYFZSA-N 0 1 382.483 3.215 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCc2ccccc21 ZINC000738483893 939058785 /nfs/dbraw/zinc/05/87/85/939058785.db2.gz TWRNQDZDWJMGCU-FDDCHVKYSA-N 0 1 396.462 3.080 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780352549 939108572 /nfs/dbraw/zinc/10/85/72/939108572.db2.gz WOSYANCXSFFNOL-IRXDYDNUSA-N 0 1 381.904 3.275 20 0 GGADMN CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000780384122 939112780 /nfs/dbraw/zinc/11/27/80/939112780.db2.gz CGOCULSHDYNZRI-LJQANCHMSA-N 0 1 387.524 3.156 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1F ZINC000780470627 939126128 /nfs/dbraw/zinc/12/61/28/939126128.db2.gz TYYMZNJIKVSCGZ-GOSISDBHSA-N 0 1 388.443 3.153 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000780494299 939128755 /nfs/dbraw/zinc/12/87/55/939128755.db2.gz FANSXQMOLIMNHM-QAPCUYQASA-N 0 1 393.553 3.293 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000780494297 939128780 /nfs/dbraw/zinc/12/87/80/939128780.db2.gz FANSXQMOLIMNHM-CRAIPNDOSA-N 0 1 393.553 3.293 20 0 GGADMN C[C@H](CCNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379647081 939131170 /nfs/dbraw/zinc/13/11/70/939131170.db2.gz ZLRGTIUUVGSEOW-APWZRJJASA-N 0 1 375.513 3.230 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H](C(=O)[O-])c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000379631210 939131329 /nfs/dbraw/zinc/13/13/29/939131329.db2.gz LGOJVCKQKLXBCO-KYJSFNMBSA-N 0 1 387.505 3.226 20 0 GGADMN C[C@@H](CCNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379647326 939131571 /nfs/dbraw/zinc/13/15/71/939131571.db2.gz ZLRGTIUUVGSEOW-QFBILLFUSA-N 0 1 375.513 3.230 20 0 GGADMN C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383348050 939132370 /nfs/dbraw/zinc/13/23/70/939132370.db2.gz YWLDHKNIFLBHFZ-QILLFSRXSA-N 0 1 387.505 3.084 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000780697980 939146583 /nfs/dbraw/zinc/14/65/83/939146583.db2.gz YEIBDQPHPRNNKQ-HKUYNNGSSA-N 0 1 387.524 3.374 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000780698696 939147240 /nfs/dbraw/zinc/14/72/40/939147240.db2.gz AMDBSPMJJMBINA-XJKSGUPXSA-N 0 1 397.878 3.169 20 0 GGADMN CC[N@@H+](CCCNC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000844296295 939231889 /nfs/dbraw/zinc/23/18/89/939231889.db2.gz HJKWWAHTLRMOKJ-GOSISDBHSA-N 0 1 397.466 3.434 20 0 GGADMN C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900295598 939268646 /nfs/dbraw/zinc/26/86/46/939268646.db2.gz LNAMQHGKCBCZIO-AHRSYUTCSA-N 0 1 381.476 3.022 20 0 GGADMN Cc1cc(F)ccc1NC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000900321959 939273241 /nfs/dbraw/zinc/27/32/41/939273241.db2.gz BBRDZRWNFJSRNV-NRFANRHFSA-N 0 1 385.439 3.375 20 0 GGADMN Cc1ccc(F)cc1NC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000900322625 939273326 /nfs/dbraw/zinc/27/33/26/939273326.db2.gz ONWBDJICQDFIFU-NRFANRHFSA-N 0 1 385.439 3.375 20 0 GGADMN CC(=O)c1ccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000900320055 939273513 /nfs/dbraw/zinc/27/35/13/939273513.db2.gz RRJWHQZPHUTSNI-JOCHJYFZSA-N 0 1 395.459 3.130 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC000902862181 939291864 /nfs/dbraw/zinc/29/18/64/939291864.db2.gz GNPUWLPRVPZHJG-WOJBJXKFSA-N 0 1 396.462 3.370 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC000902862176 939292001 /nfs/dbraw/zinc/29/20/01/939292001.db2.gz GNPUWLPRVPZHJG-UXHICEINSA-N 0 1 396.462 3.370 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Nc2ccc(F)c(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908622304 939302277 /nfs/dbraw/zinc/30/22/77/939302277.db2.gz ZAUBKWUHTPCXBW-HXUWFJFHSA-N 0 1 389.402 3.206 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Nc2cc(F)cc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908622812 939302315 /nfs/dbraw/zinc/30/23/15/939302315.db2.gz ZEDMFSFYLBQHHY-HXUWFJFHSA-N 0 1 389.402 3.206 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Nc2ccc3[nH]ccc3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908618242 939302331 /nfs/dbraw/zinc/30/23/31/939302331.db2.gz FSQQYRLAWDOJFP-QFIPXVFZSA-N 0 1 392.459 3.409 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Nc2cc(F)cc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908622811 939302371 /nfs/dbraw/zinc/30/23/71/939302371.db2.gz ZEDMFSFYLBQHHY-FQEVSTJZSA-N 0 1 389.402 3.206 20 0 GGADMN Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000908622796 939302413 /nfs/dbraw/zinc/30/24/13/939302413.db2.gz YZBXXSIWBRGOGP-OAQYLSRUSA-N 0 1 385.439 3.375 20 0 GGADMN CC(=O)c1cccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000908616050 939302493 /nfs/dbraw/zinc/30/24/93/939302493.db2.gz BXRWKMJJODAYNK-JOCHJYFZSA-N 0 1 395.459 3.130 20 0 GGADMN CCc1ccc(C)nc1NC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000908653148 939303690 /nfs/dbraw/zinc/30/36/90/939303690.db2.gz YBJHTNHKMGQOIQ-JOCHJYFZSA-N 0 1 396.491 3.193 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000908744708 939308049 /nfs/dbraw/zinc/30/80/49/939308049.db2.gz GIWXDLBHGBORRW-HIFRSBDPSA-N 0 1 399.369 3.026 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000908752786 939312289 /nfs/dbraw/zinc/31/22/89/939312289.db2.gz FWCUGLVCQBSUPC-IAGOWNOFSA-N 0 1 393.846 3.207 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757267 939314107 /nfs/dbraw/zinc/31/41/07/939314107.db2.gz SEAFHZNMXABTRS-PMACEKPBSA-N 0 1 381.476 3.003 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757269 939314572 /nfs/dbraw/zinc/31/45/72/939314572.db2.gz SEAFHZNMXABTRS-UXHICEINSA-N 0 1 381.476 3.003 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908760186 939314938 /nfs/dbraw/zinc/31/49/38/939314938.db2.gz JEXIYBRRSBSLAL-HXUWFJFHSA-N 0 1 383.492 3.250 20 0 GGADMN COc1ccc([C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C(=O)[O-])cc1 ZINC000908783166 939321289 /nfs/dbraw/zinc/32/12/89/939321289.db2.gz LNYYOZAHSXNYLQ-FQEVSTJZSA-N 0 1 399.491 3.161 20 0 GGADMN CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000908810178 939324566 /nfs/dbraw/zinc/32/45/66/939324566.db2.gz DOVCUWUANSDNCC-PXNSSMCTSA-N 0 1 399.466 3.088 20 0 GGADMN CC[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000908810179 939324606 /nfs/dbraw/zinc/32/46/06/939324606.db2.gz DOVCUWUANSDNCC-XLIONFOSSA-N 0 1 399.466 3.088 20 0 GGADMN C[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000908814713 939326649 /nfs/dbraw/zinc/32/66/49/939326649.db2.gz SEIDPLQGHRMVAI-JXXFODFXSA-N 0 1 383.492 3.385 20 0 GGADMN 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ZINC001600316628 970798003 /nfs/dbraw/zinc/79/80/03/970798003.db2.gz LOWKRQUECOJMII-DLBZAZTESA-N 0 1 399.516 3.408 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000323500590 971011554 /nfs/dbraw/zinc/01/15/54/971011554.db2.gz VJQDKOIGNOWLTF-PHIMTYICSA-N 0 1 384.274 3.012 20 0 GGADMN O=C([O-])c1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC001601615722 971031476 /nfs/dbraw/zinc/03/14/76/971031476.db2.gz ZLXHVECUPDRCAK-UHFFFAOYSA-N 0 1 389.402 3.449 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001611506583 971087627 /nfs/dbraw/zinc/08/76/27/971087627.db2.gz RZDJPXRVSSIKJM-QHCPKHFHSA-N 0 1 393.487 3.444 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000518390806 944633149 /nfs/dbraw/zinc/63/31/49/944633149.db2.gz NTRAYXDLEUZPCD-INIZCTEOSA-N 0 1 390.491 3.148 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001602041549 971125609 /nfs/dbraw/zinc/12/56/09/971125609.db2.gz FRCYGQBAUFCXEA-HXUWFJFHSA-N 0 1 381.476 3.490 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC001602137198 971154654 /nfs/dbraw/zinc/15/46/54/971154654.db2.gz CNMDQVWFLPUWFP-GOSISDBHSA-N 0 1 388.414 3.410 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001602319738 971179182 /nfs/dbraw/zinc/17/91/82/971179182.db2.gz MMHMKVHFOLNBPC-LJQANCHMSA-N 0 1 392.377 3.322 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001602319738 971179186 /nfs/dbraw/zinc/17/91/86/971179186.db2.gz MMHMKVHFOLNBPC-LJQANCHMSA-N 0 1 392.377 3.322 20 0 GGADMN C[C@@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824529809 946765977 /nfs/dbraw/zinc/76/59/77/946765977.db2.gz HOMYIKHLBVULPN-BDJLRTHQSA-N 0 1 388.269 3.013 20 0 GGADMN C[C@H](NCc1ccc(CO)o1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824611700 946861883 /nfs/dbraw/zinc/86/18/83/946861883.db2.gz CYUSYOFEGNBVKX-AWEZNQCLSA-N 0 1 375.432 3.470 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825658887 947279438 /nfs/dbraw/zinc/27/94/38/947279438.db2.gz LHOUPUWGLIRZHW-CABCVRRESA-N 0 1 399.520 3.008 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000327331470 971388750 /nfs/dbraw/zinc/38/87/50/971388750.db2.gz CTSXMQOMVDZECV-AWEZNQCLSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000327331470 971388756 /nfs/dbraw/zinc/38/87/56/971388756.db2.gz CTSXMQOMVDZECV-AWEZNQCLSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000327453654 971400097 /nfs/dbraw/zinc/40/00/97/971400097.db2.gz XUKSLTIEGSTHMM-AWEZNQCLSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000327453654 971400100 /nfs/dbraw/zinc/40/01/00/971400100.db2.gz XUKSLTIEGSTHMM-AWEZNQCLSA-N 0 1 375.734 3.229 20 0 GGADMN COc1ccccc1COC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826220656 947654167 /nfs/dbraw/zinc/65/41/67/947654167.db2.gz VJPQOCFOWUCTQQ-UHFFFAOYSA-N 0 1 397.454 3.196 20 0 GGADMN CC(=CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)c1ccccc1Cl ZINC001573362300 947700874 /nfs/dbraw/zinc/70/08/74/947700874.db2.gz JDXFNEZAHAEIHN-NTMALXAHSA-N 0 1 379.811 3.438 20 0 GGADMN C[C@H]([C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC001573637803 947823931 /nfs/dbraw/zinc/82/39/31/947823931.db2.gz REIZZXGALQLUOF-DLBZAZTESA-N 0 1 398.555 3.219 20 0 GGADMN Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826296835 947857796 /nfs/dbraw/zinc/85/77/96/947857796.db2.gz KREQCZPOZZMQHF-GOSISDBHSA-N 0 1 380.496 3.462 20 0 GGADMN Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826296835 947857805 /nfs/dbraw/zinc/85/78/05/947857805.db2.gz KREQCZPOZZMQHF-GOSISDBHSA-N 0 1 380.496 3.462 20 0 GGADMN Cn1cc(CN2CCC[C@H](C(F)(F)F)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360371 948120096 /nfs/dbraw/zinc/12/00/96/948120096.db2.gz IGHPWBBDOWINGH-HNNXBMFYSA-N 0 1 391.401 3.042 20 0 GGADMN Fc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1-c1nn[nH]n1 ZINC000826374555 948160486 /nfs/dbraw/zinc/16/04/86/948160486.db2.gz DHNTXDZSHNOXSB-LBPRGKRZSA-N 0 1 395.364 3.058 20 0 GGADMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826455416 948328036 /nfs/dbraw/zinc/32/80/36/948328036.db2.gz NGAIRAPPMOXRQV-UHFFFAOYSA-N 0 1 376.424 3.371 20 0 GGADMN CC(C)c1ccccc1OCCC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001574422022 948825825 /nfs/dbraw/zinc/82/58/25/948825825.db2.gz UYQBSLOGQTWSCT-UHFFFAOYSA-N 0 1 391.435 3.274 20 0 GGADMN C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575503388 949047878 /nfs/dbraw/zinc/04/78/78/949047878.db2.gz LCNGBAKZBHEOSC-ZCFIWIBFSA-N 0 1 399.814 3.480 20 0 GGADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001602786544 971536353 /nfs/dbraw/zinc/53/63/53/971536353.db2.gz XGJYPBRYFMGJQS-HUUCEWRRSA-N 0 1 389.521 3.220 20 0 GGADMN CC(C)[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[nH]n4)c(O)c3)sc2C1 ZINC001574098830 949166949 /nfs/dbraw/zinc/16/69/49/949166949.db2.gz GGJLCTUJEOAMSB-JTQLQIEISA-N 0 1 384.465 3.042 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC001589604734 949230153 /nfs/dbraw/zinc/23/01/53/949230153.db2.gz FUXUXSZUARHNKJ-FQEVSTJZSA-N 0 1 388.537 3.272 20 0 GGADMN CC1(c2ccccc2)CCC(NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 ZINC001575856072 949243181 /nfs/dbraw/zinc/24/31/81/949243181.db2.gz CXHOWZHJIOGKEN-UHFFFAOYSA-N 0 1 377.448 3.203 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC001589605143 949244201 /nfs/dbraw/zinc/24/42/01/949244201.db2.gz LHYRLNFHUVAGKM-PBHICJAKSA-N 0 1 375.387 3.022 20 0 GGADMN C[C@H](c1nc2ccccc2s1)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001575522024 949266139 /nfs/dbraw/zinc/26/61/39/949266139.db2.gz JXXOMXUADLGDLK-WBMJQRKESA-N 0 1 380.477 3.203 20 0 GGADMN C[C@@H](c1nc2ccccc2s1)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001575522021 949269844 /nfs/dbraw/zinc/26/98/44/949269844.db2.gz JXXOMXUADLGDLK-LRDDRELGSA-N 0 1 380.477 3.203 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001589606579 949292830 /nfs/dbraw/zinc/29/28/30/949292830.db2.gz WRVBLIRJNYRGAQ-HXUWFJFHSA-N 0 1 376.428 3.181 20 0 GGADMN O=C([O-])c1ccc(/C=C/C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)o1 ZINC001595226406 949298458 /nfs/dbraw/zinc/29/84/58/949298458.db2.gz WBWGJDMQXLICCI-SOFGYWHQSA-N 0 1 380.444 3.040 20 0 GGADMN O=C([O-])c1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC001595230746 949342874 /nfs/dbraw/zinc/34/28/74/949342874.db2.gz MPNBMHKIBSECPO-UHFFFAOYSA-N 0 1 387.237 3.018 20 0 GGADMN O=C([O-])c1cccc(C[NH2+]Cc2ccc(F)cc2I)c1 ZINC001595244894 949508519 /nfs/dbraw/zinc/50/85/19/949508519.db2.gz CNFCTMFGMHLYIG-UHFFFAOYSA-N 0 1 385.176 3.418 20 0 GGADMN C[C@H](CNC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1ccc(F)cc1 ZINC001574949780 949511454 /nfs/dbraw/zinc/51/14/54/949511454.db2.gz CZJGXXYLUBNXBL-SSDOTTSWSA-N 0 1 381.824 3.041 20 0 GGADMN O=C([O-])c1ccccc1OCC[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC001595258044 949637881 /nfs/dbraw/zinc/63/78/81/949637881.db2.gz SQDGXMMONQKWDW-UHFFFAOYSA-N 0 1 391.471 3.130 20 0 GGADMN CCC[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589639277 949654214 /nfs/dbraw/zinc/65/42/14/949654214.db2.gz QSDTZBMNGCOWQF-FQEVSTJZSA-N 0 1 380.488 3.440 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589639507 949663935 /nfs/dbraw/zinc/66/39/35/949663935.db2.gz ZWJXROAPBKOTDJ-RCCFBDPRSA-N 0 1 385.464 3.281 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001589647734 949751031 /nfs/dbraw/zinc/75/10/31/949751031.db2.gz PRJRTLWVBBVZDS-MOPGFXCFSA-N 0 1 375.513 3.361 20 0 GGADMN CCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001589658506 949824308 /nfs/dbraw/zinc/82/43/08/949824308.db2.gz ANOGQERSSQDISS-HSALFYBXSA-N 0 1 387.524 3.326 20 0 GGADMN O=C([O-])c1n[nH]cc1NC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001595272712 949849394 /nfs/dbraw/zinc/84/93/94/949849394.db2.gz QTAMNPHGJXOPLB-QGZVFWFLSA-N 0 1 396.422 3.087 20 0 GGADMN C[C@@H](C(=O)[O-])N(C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1CC1 ZINC001602815135 971613753 /nfs/dbraw/zinc/61/37/53/971613753.db2.gz MMYVZYFHRLGUCS-NSHDSACASA-N 0 1 388.493 3.360 20 0 GGADMN C[C@H](C(=O)[O-])N(C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1CC1 ZINC001602815134 971613856 /nfs/dbraw/zinc/61/38/56/971613856.db2.gz MMYVZYFHRLGUCS-LLVKDONJSA-N 0 1 388.493 3.360 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001595273542 949873389 /nfs/dbraw/zinc/87/33/89/949873389.db2.gz PPKVOHSLXPPOSV-IEBWSBKVSA-N 0 1 394.475 3.298 20 0 GGADMN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[nH]n4)c(O)c3)sc2C1 ZINC001573827167 949915306 /nfs/dbraw/zinc/91/53/06/949915306.db2.gz KNEGLSASWBKMRM-LLVKDONJSA-N 0 1 398.492 3.432 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001589671877 949936992 /nfs/dbraw/zinc/93/69/92/949936992.db2.gz CZADHOAGEDTJNK-CQSZACIVSA-N 0 1 378.435 3.144 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001589671876 949937281 /nfs/dbraw/zinc/93/72/81/949937281.db2.gz CZADHOAGEDTJNK-AWEZNQCLSA-N 0 1 378.435 3.144 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001589672449 949948251 /nfs/dbraw/zinc/94/82/51/949948251.db2.gz KYERWQZOYYDXGT-LLVKDONJSA-N 0 1 386.290 3.389 20 0 GGADMN CCC[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H](CC)C(=O)OCC ZINC001589674417 949977735 /nfs/dbraw/zinc/97/77/35/949977735.db2.gz UDHGPOMXVNJDIA-KRWDZBQOSA-N 0 1 380.485 3.134 20 0 GGADMN CCC[N@@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H](CC)C(=O)OCC ZINC001589674417 949977744 /nfs/dbraw/zinc/97/77/44/949977744.db2.gz UDHGPOMXVNJDIA-KRWDZBQOSA-N 0 1 380.485 3.134 20 0 GGADMN CCC[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H](CC)C(=O)OCC ZINC001589674418 949979168 /nfs/dbraw/zinc/97/91/68/949979168.db2.gz UDHGPOMXVNJDIA-QGZVFWFLSA-N 0 1 380.485 3.134 20 0 GGADMN CCC[N@@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@H](CC)C(=O)OCC ZINC001589674418 949979194 /nfs/dbraw/zinc/97/91/94/949979194.db2.gz UDHGPOMXVNJDIA-QGZVFWFLSA-N 0 1 380.485 3.134 20 0 GGADMN O=C([O-])CS(=O)(=O)CC[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000262321548 950109366 /nfs/dbraw/zinc/10/93/66/950109366.db2.gz RMWXZZAEFRECMT-UHFFFAOYSA-N 0 1 375.490 3.084 20 0 GGADMN CCN(C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)[C@@H](C)C(=O)[O-] ZINC001589704568 950267486 /nfs/dbraw/zinc/26/74/86/950267486.db2.gz BSKVQFDDAUODSI-NSHDSACASA-N 0 1 376.482 3.217 20 0 GGADMN CC(C)(C)OC(=O)[C@@](C)(C[NH2+]Cc1csc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573850159 950268512 /nfs/dbraw/zinc/26/85/12/950268512.db2.gz GUCYOFIPZQTTJD-FQEVSTJZSA-N 0 1 399.520 3.317 20 0 GGADMN CC(C)(C)OC(=O)[C@@](C)(C[NH2+]Cc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573850159 950268534 /nfs/dbraw/zinc/26/85/34/950268534.db2.gz GUCYOFIPZQTTJD-FQEVSTJZSA-N 0 1 399.520 3.317 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263105103 950269021 /nfs/dbraw/zinc/26/90/21/950269021.db2.gz KLFOVGPYWCXZIQ-STQMWFEESA-N 0 1 383.286 3.353 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263147893 950293765 /nfs/dbraw/zinc/29/37/65/950293765.db2.gz FDMSAFUSKVWAKS-RYRKJORJSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263147893 950293784 /nfs/dbraw/zinc/29/37/84/950293784.db2.gz FDMSAFUSKVWAKS-RYRKJORJSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000263145880 950294293 /nfs/dbraw/zinc/29/42/93/950294293.db2.gz FADOMPVELQHHPB-UWVAXJGDSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000263156472 950302116 /nfs/dbraw/zinc/30/21/16/950302116.db2.gz QAMNYWYWWSEZHA-LLVKDONJSA-N 0 1 376.254 3.344 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000263156472 950302137 /nfs/dbraw/zinc/30/21/37/950302137.db2.gz QAMNYWYWWSEZHA-LLVKDONJSA-N 0 1 376.254 3.344 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000263303955 950356217 /nfs/dbraw/zinc/35/62/17/950356217.db2.gz GYPWEIHSYOVWBE-WCQYABFASA-N 0 1 384.270 3.153 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310635 950361494 /nfs/dbraw/zinc/36/14/94/950361494.db2.gz HXMMKDPPMDMRMD-CFLQYTFWSA-N 0 1 376.472 3.216 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000263323140 950368655 /nfs/dbraw/zinc/36/86/55/950368655.db2.gz JNVIJZRKOSJRRV-VQTJNVASSA-N 0 1 389.540 3.335 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263361109 950400301 /nfs/dbraw/zinc/40/03/01/950400301.db2.gz RXWBJAGAPBCSDT-KPFFTGBYSA-N 0 1 388.508 3.182 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000263365106 950405060 /nfs/dbraw/zinc/40/50/60/950405060.db2.gz SXCMMXZEMMQMIZ-WMZOPIPTSA-N 0 1 382.460 3.247 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)CC2)cc1 ZINC000263364832 950405926 /nfs/dbraw/zinc/40/59/26/950405926.db2.gz SWNHFJCGLJNCQP-GHTZIAJQSA-N 0 1 386.536 3.209 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263367656 950408245 /nfs/dbraw/zinc/40/82/45/950408245.db2.gz UIEYRSQXISAHNH-SIXWZSSISA-N 0 1 398.425 3.010 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263380753 950423933 /nfs/dbraw/zinc/42/39/33/950423933.db2.gz XGRWTVFQAOZYPX-HOJAQTOUSA-N 0 1 387.524 3.041 20 0 GGADMN CC[NH+](CC)[C@@H](CNCc1c(C(=O)[O-])cnn1C)c1ccc(C(F)(F)F)cc1 ZINC001589722787 950432249 /nfs/dbraw/zinc/43/22/49/950432249.db2.gz FSZIZCBWSKUDGI-INIZCTEOSA-N 0 1 398.429 3.310 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263398854 950437446 /nfs/dbraw/zinc/43/74/46/950437446.db2.gz RUAKIDYGXROVAM-RDJZCZTQSA-N 0 1 381.904 3.229 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263398849 950438207 /nfs/dbraw/zinc/43/82/07/950438207.db2.gz RUAKIDYGXROVAM-NVXWUHKLSA-N 0 1 381.904 3.229 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000263404692 950443539 /nfs/dbraw/zinc/44/35/39/950443539.db2.gz SWCWSJBOXCUBOD-QHCPKHFHSA-N 0 1 393.487 3.192 20 0 GGADMN CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263415380 950448107 /nfs/dbraw/zinc/44/81/07/950448107.db2.gz MZGCZXCVWLYKAD-UHFFFAOYSA-N 0 1 395.455 3.413 20 0 GGADMN CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263415167 950449368 /nfs/dbraw/zinc/44/93/68/950449368.db2.gz VTQYEAMISNWWKY-HXUWFJFHSA-N 0 1 381.476 3.191 20 0 GGADMN COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000263423323 950454493 /nfs/dbraw/zinc/45/44/93/950454493.db2.gz PQICJNYYJLDQHT-IBGZPJMESA-N 0 1 383.444 3.349 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263575170 950514586 /nfs/dbraw/zinc/51/45/86/950514586.db2.gz OOYDHQKMHZPGSP-FQEVSTJZSA-N 0 1 387.505 3.498 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263575170 950514603 /nfs/dbraw/zinc/51/46/03/950514603.db2.gz OOYDHQKMHZPGSP-FQEVSTJZSA-N 0 1 387.505 3.498 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263575171 950515046 /nfs/dbraw/zinc/51/50/46/950515046.db2.gz OOYDHQKMHZPGSP-HXUWFJFHSA-N 0 1 387.505 3.498 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263575171 950515063 /nfs/dbraw/zinc/51/50/63/950515063.db2.gz OOYDHQKMHZPGSP-HXUWFJFHSA-N 0 1 387.505 3.498 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cc1)C(C)C ZINC001589736143 950534609 /nfs/dbraw/zinc/53/46/09/950534609.db2.gz HYMPWYOONRLYBW-UHFFFAOYSA-N 0 1 398.459 3.377 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@H]1C ZINC001589740610 950585317 /nfs/dbraw/zinc/58/53/17/950585317.db2.gz VZZKMXHXIDYBNY-MNOVXSKESA-N 0 1 384.274 3.094 20 0 GGADMN CC1CCN(CC(=O)Nc2ccc(Oc3ccccc3)c(-c3nn[nH]n3)c2)CC1 ZINC001576213651 950640586 /nfs/dbraw/zinc/64/05/86/950640586.db2.gz FWIJDUYBJZVMCT-UHFFFAOYSA-N 0 1 392.463 3.329 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001594970556 950844230 /nfs/dbraw/zinc/84/42/30/950844230.db2.gz VJUSLQAKLGTTEN-DQKOTCQSSA-N 0 1 394.471 3.408 20 0 GGADMN O=C([O-])c1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cc1F ZINC000380536647 971705095 /nfs/dbraw/zinc/70/50/95/971705095.db2.gz VDGUFVPULJWERG-ZDUSSCGKSA-N 0 1 375.375 3.059 20 0 GGADMN CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3ncc(C(=O)[O-])s3)cc2C1 ZINC000380574189 971706776 /nfs/dbraw/zinc/70/67/76/971706776.db2.gz UTXKUHGFXWAXJB-UHFFFAOYSA-N 0 1 389.477 3.382 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000320533692 950991939 /nfs/dbraw/zinc/99/19/39/950991939.db2.gz JFXBDIUDSTYVQG-INIZCTEOSA-N 0 1 387.249 3.104 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000320701298 950998362 /nfs/dbraw/zinc/99/83/62/950998362.db2.gz IMMAAQXMTWMEQT-QGZVFWFLSA-N 0 1 383.286 3.273 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)c(C(=O)[O-])c1C ZINC001591426748 951141506 /nfs/dbraw/zinc/14/15/06/951141506.db2.gz WLBGEFMVBDDIJY-NSHDSACASA-N 0 1 394.493 3.133 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)c(C(=O)[O-])c1C ZINC001591466512 951145672 /nfs/dbraw/zinc/14/56/72/951145672.db2.gz GORNBZCDCHMOJC-LLVKDONJSA-N 0 1 396.509 3.238 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](C)CC(C)(C)C2)c(C(=O)[O-])c1C ZINC001591466512 951145679 /nfs/dbraw/zinc/14/56/79/951145679.db2.gz GORNBZCDCHMOJC-LLVKDONJSA-N 0 1 396.509 3.238 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000379421363 951164890 /nfs/dbraw/zinc/16/48/90/951164890.db2.gz KWGUYMCJEAXLJO-RBUKOAKNSA-N 0 1 375.513 3.087 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000379626184 951171341 /nfs/dbraw/zinc/17/13/41/951171341.db2.gz GNWDIXMJZNYTKW-SJLPKXTDSA-N 0 1 375.513 3.230 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000382615132 951226419 /nfs/dbraw/zinc/22/64/19/951226419.db2.gz OSDYFVIQYWTVJG-GOSISDBHSA-N 0 1 375.513 3.039 20 0 GGADMN CCOCN(C(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1c(C)cccc1CC ZINC001591977390 951251922 /nfs/dbraw/zinc/25/19/22/951251922.db2.gz PNFJOXFPYOJRBF-WMZOPIPTSA-N 0 1 376.497 3.070 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC001595012440 951261059 /nfs/dbraw/zinc/26/10/59/951261059.db2.gz GHCBUPBDCVQMEK-MRXNPFEDSA-N 0 1 388.464 3.386 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000381036676 971733141 /nfs/dbraw/zinc/73/31/41/971733141.db2.gz YXZGRKAAHGKQEG-ZDUSSCGKSA-N 0 1 375.375 3.059 20 0 GGADMN CC(C)C[C@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C(=O)[O-] ZINC000386807579 951303993 /nfs/dbraw/zinc/30/39/93/951303993.db2.gz CYJAYFGDEVUZFQ-GOSISDBHSA-N 0 1 375.513 3.087 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC001595018760 951305282 /nfs/dbraw/zinc/30/52/82/951305282.db2.gz CYAMXMYLBNUHHD-QGZVFWFLSA-N 0 1 395.503 3.360 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001595019632 951314936 /nfs/dbraw/zinc/31/49/36/951314936.db2.gz WMLINRWOKVILAT-WFASDCNBSA-N 0 1 376.280 3.310 20 0 GGADMN CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592663465 951348396 /nfs/dbraw/zinc/34/83/96/951348396.db2.gz XVBWTVJKBAAWOY-HIFRSBDPSA-N 0 1 377.872 3.163 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000390217247 951372649 /nfs/dbraw/zinc/37/26/49/951372649.db2.gz YRRUOYRJGTTZRW-GOSISDBHSA-N 0 1 375.513 3.231 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001602883223 971771795 /nfs/dbraw/zinc/77/17/95/971771795.db2.gz XVYZQDMJRONZCG-MRXNPFEDSA-N 0 1 391.512 3.357 20 0 GGADMN C[C@H](C[NH2+]Cc1csc(-c2nnn[n-]2)c1)Oc1cccc(Br)c1 ZINC001575118843 951985508 /nfs/dbraw/zinc/98/55/08/951985508.db2.gz UHKWYCWVWLALBT-SNVBAGLBSA-N 0 1 394.298 3.248 20 0 GGADMN C[C@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)Oc1cccc(Br)c1 ZINC001575118843 951985518 /nfs/dbraw/zinc/98/55/18/951985518.db2.gz UHKWYCWVWLALBT-SNVBAGLBSA-N 0 1 394.298 3.248 20 0 GGADMN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001595124513 952001281 /nfs/dbraw/zinc/00/12/81/952001281.db2.gz ULUUGLBANWRRQN-OAHLLOKOSA-N 0 1 393.427 3.122 20 0 GGADMN O=C([O-])CS(=O)(=O)CC[N@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001595124513 952001285 /nfs/dbraw/zinc/00/12/85/952001285.db2.gz ULUUGLBANWRRQN-OAHLLOKOSA-N 0 1 393.427 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001602889820 971797189 /nfs/dbraw/zinc/79/71/89/971797189.db2.gz SLZZUBTZAJMBFB-DLBZAZTESA-N 0 1 390.480 3.237 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001595136949 952059945 /nfs/dbraw/zinc/05/99/45/952059945.db2.gz SKGHBXLCCWRZMW-GOSISDBHSA-N 0 1 399.516 3.053 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001595136949 952059951 /nfs/dbraw/zinc/05/99/51/952059951.db2.gz SKGHBXLCCWRZMW-GOSISDBHSA-N 0 1 399.516 3.053 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](C/C=C\c1ccc(OCc3ccccc3)cc1)C2 ZINC001595191019 952282770 /nfs/dbraw/zinc/28/27/70/952282770.db2.gz ZXRWPIPYZFAMTM-JXCMTNHBSA-N 0 1 379.456 3.312 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(OCc3ccc(F)cc3F)c1)C2 ZINC001595192784 952294683 /nfs/dbraw/zinc/29/46/83/952294683.db2.gz YGWQPQFHODCJSF-KKSFZXQISA-N 0 1 389.398 3.077 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001602895821 971821808 /nfs/dbraw/zinc/82/18/08/971821808.db2.gz NUYQEHJENWPOPL-UKRRQHHQSA-N 0 1 384.423 3.219 20 0 GGADMN C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575189358 952455812 /nfs/dbraw/zinc/45/58/12/952455812.db2.gz NVHDDOLCPLVMBO-SSDOTTSWSA-N 0 1 383.264 3.447 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000383714750 971888373 /nfs/dbraw/zinc/88/83/73/971888373.db2.gz HZBWGSYKIGVIAH-SFHVURJKSA-N 0 1 375.513 3.089 20 0 GGADMN O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594739387 953362019 /nfs/dbraw/zinc/36/20/19/953362019.db2.gz YUDRTJAURGUDQT-KZNAEPCWSA-N 0 1 399.516 3.010 20 0 GGADMN O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594739387 953362029 /nfs/dbraw/zinc/36/20/29/953362029.db2.gz YUDRTJAURGUDQT-KZNAEPCWSA-N 0 1 399.516 3.010 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001594739334 953362219 /nfs/dbraw/zinc/36/22/19/953362219.db2.gz XMSNGIHZCIVSBF-RCCFBDPRSA-N 0 1 384.501 3.075 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001594739334 953362228 /nfs/dbraw/zinc/36/22/28/953362228.db2.gz XMSNGIHZCIVSBF-RCCFBDPRSA-N 0 1 384.501 3.075 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCCCC(=O)[O-])cc2)C1 ZINC000414602636 953395954 /nfs/dbraw/zinc/39/59/54/953395954.db2.gz UAUSCCAFAKLIPX-KRWDZBQOSA-N 0 1 375.513 3.363 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000422595637 953425685 /nfs/dbraw/zinc/42/56/85/953425685.db2.gz ZRYRJXTUOQSAGV-SYNHAJSKSA-N 0 1 386.517 3.386 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424262070 953441548 /nfs/dbraw/zinc/44/15/48/953441548.db2.gz PYQNPIZXWBOYFK-WMZOPIPTSA-N 0 1 376.497 3.372 20 0 GGADMN COc1cc(OC)c(NC(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1Cl ZINC000424267798 953445680 /nfs/dbraw/zinc/44/56/80/953445680.db2.gz YWWMNOBPAGCKDS-GFCCVEGCSA-N 0 1 384.860 3.015 20 0 GGADMN CCC(CC)(CNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000424401478 953466740 /nfs/dbraw/zinc/46/67/40/953466740.db2.gz AGKVMEXOQNGYCI-SJORKVTESA-N 0 1 375.513 3.182 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000424404305 953468606 /nfs/dbraw/zinc/46/86/06/953468606.db2.gz CBMCHFJZCJCDTC-MISYRCLQSA-N 0 1 389.540 3.428 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424404978 953470571 /nfs/dbraw/zinc/47/05/71/953470571.db2.gz NGRYBGVMAXCDGX-KRWDZBQOSA-N 0 1 395.931 3.304 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424404978 953470574 /nfs/dbraw/zinc/47/05/74/953470574.db2.gz NGRYBGVMAXCDGX-KRWDZBQOSA-N 0 1 395.931 3.304 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C(=O)[O-] ZINC000424426360 953482760 /nfs/dbraw/zinc/48/27/60/953482760.db2.gz SNZFXXRWMWEZDK-HXUWFJFHSA-N 0 1 389.540 3.083 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001589279995 953486345 /nfs/dbraw/zinc/48/63/45/953486345.db2.gz SPXCSQXMKUVJTD-WBVHZDCISA-N 0 1 399.516 3.355 20 0 GGADMN CCC(CC)(CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424449582 953488107 /nfs/dbraw/zinc/48/81/07/953488107.db2.gz LTAALASVQYBTNT-PKOBYXMFSA-N 0 1 389.540 3.477 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c1Cl ZINC001594758549 953489289 /nfs/dbraw/zinc/48/92/89/953489289.db2.gz XOHYGSUTBVACBE-UHFFFAOYSA-N 0 1 397.859 3.419 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)c1Cl ZINC001594758549 953489298 /nfs/dbraw/zinc/48/92/98/953489298.db2.gz XOHYGSUTBVACBE-UHFFFAOYSA-N 0 1 397.859 3.419 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000517144998 953543966 /nfs/dbraw/zinc/54/39/66/953543966.db2.gz SBJQQYJCWBANPP-APWZRJJASA-N 0 1 378.472 3.493 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589284728 953550465 /nfs/dbraw/zinc/55/04/65/953550465.db2.gz CMGUTQUEHOQQHG-MHORFTMASA-N 0 1 377.529 3.037 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000521580205 953554169 /nfs/dbraw/zinc/55/41/69/953554169.db2.gz PTBUSTQUEGXGMT-QZTJIDSGSA-N 0 1 387.524 3.457 20 0 GGADMN O=C([O-])C[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000533189491 953567807 /nfs/dbraw/zinc/56/78/07/953567807.db2.gz ADUGYNQHZYXYCQ-APWZRJJASA-N 0 1 398.425 3.154 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000533203288 953569904 /nfs/dbraw/zinc/56/99/04/953569904.db2.gz VNQCNUZKZREKEO-OAHLLOKOSA-N 0 1 398.425 3.383 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)Nc2ccnc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC001589286120 953574808 /nfs/dbraw/zinc/57/48/08/953574808.db2.gz NZXJTFBBMQSCAC-NVXWUHKLSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccnc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589289914 953590563 /nfs/dbraw/zinc/59/05/63/953590563.db2.gz MDHWQTZMFJYRFL-WBVHZDCISA-N 0 1 382.464 3.297 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2cccnc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589289912 953590902 /nfs/dbraw/zinc/59/09/02/953590902.db2.gz MDHWQTZMFJYRFL-NVXWUHKLSA-N 0 1 382.464 3.297 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000563127062 953594634 /nfs/dbraw/zinc/59/46/34/953594634.db2.gz VSOJQHLACXFBQZ-PBHICJAKSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000563127062 953594643 /nfs/dbraw/zinc/59/46/43/953594643.db2.gz VSOJQHLACXFBQZ-PBHICJAKSA-N 0 1 387.505 3.175 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000566221508 953622805 /nfs/dbraw/zinc/62/28/05/953622805.db2.gz SFZVUNXFFRRXTM-WBVHZDCISA-N 0 1 398.507 3.151 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)cc1 ZINC001593637969 953624203 /nfs/dbraw/zinc/62/42/03/953624203.db2.gz ZBCKCAOJPLXEFO-UHFFFAOYSA-N 0 1 381.476 3.226 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000566368953 953626102 /nfs/dbraw/zinc/62/61/02/953626102.db2.gz WNAQRWONDRXNGO-CRAIPNDOSA-N 0 1 379.378 3.293 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000567595428 953633565 /nfs/dbraw/zinc/63/35/65/953633565.db2.gz HNVDRRSWUKEAFB-QFIPXVFZSA-N 0 1 396.443 3.427 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000572250158 953667651 /nfs/dbraw/zinc/66/76/51/953667651.db2.gz IMTISMGRSPJEBJ-KBXCAEBGSA-N 0 1 395.377 3.129 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000575751564 953685754 /nfs/dbraw/zinc/68/57/54/953685754.db2.gz DJEOLPJNODRPPS-CQSZACIVSA-N 0 1 396.509 3.199 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000575751564 953685761 /nfs/dbraw/zinc/68/57/61/953685761.db2.gz DJEOLPJNODRPPS-CQSZACIVSA-N 0 1 396.509 3.199 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000576039848 953687352 /nfs/dbraw/zinc/68/73/52/953687352.db2.gz QISZRIRQYFKLKK-HKUYNNGSSA-N 0 1 396.487 3.067 20 0 GGADMN CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])n2CC ZINC000582066172 953721632 /nfs/dbraw/zinc/72/16/32/953721632.db2.gz RYAGSRDKEVTFMA-MRXNPFEDSA-N 0 1 387.480 3.452 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000582306348 953723082 /nfs/dbraw/zinc/72/30/82/953723082.db2.gz MLBSXFSQDCKDNC-AVRDEDQJSA-N 0 1 393.443 3.249 20 0 GGADMN O=C([O-])CC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000582243920 953723374 /nfs/dbraw/zinc/72/33/74/953723374.db2.gz CZVCYMKAGAFWPR-QGZVFWFLSA-N 0 1 378.900 3.456 20 0 GGADMN O=C([O-])CC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000582243920 953723377 /nfs/dbraw/zinc/72/33/77/953723377.db2.gz CZVCYMKAGAFWPR-QGZVFWFLSA-N 0 1 378.900 3.456 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000582420491 953723586 /nfs/dbraw/zinc/72/35/86/953723586.db2.gz TXXAPBLIJRXSTN-DOTOQJQBSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000582420491 953723589 /nfs/dbraw/zinc/72/35/89/953723589.db2.gz TXXAPBLIJRXSTN-DOTOQJQBSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000584469760 953734472 /nfs/dbraw/zinc/73/44/72/953734472.db2.gz WHQMBORWCKZQFZ-IIAWOOMASA-N 0 1 379.526 3.240 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001589305444 953734684 /nfs/dbraw/zinc/73/46/84/953734684.db2.gz OJQOFSYBTQMKDE-LSDHHAIUSA-N 0 1 388.464 3.242 20 0 GGADMN O=C([O-])c1ccc(Br)c(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001594800408 953734725 /nfs/dbraw/zinc/73/47/25/953734725.db2.gz RDTUNTTZMUPDAA-ZFWWWQNUSA-N 0 1 396.285 3.286 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001589308592 953776093 /nfs/dbraw/zinc/77/60/93/953776093.db2.gz VVMNGNMUDGOPDH-OLZOCXBDSA-N 0 1 395.525 3.121 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000623102687 953797484 /nfs/dbraw/zinc/79/74/84/953797484.db2.gz AZTVEZVHMPANRE-GOSISDBHSA-N 0 1 393.365 3.173 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[C@H]1C(=O)[O-] ZINC000626746570 953800499 /nfs/dbraw/zinc/80/04/99/953800499.db2.gz UYCWCWWBYDISCV-FUHIMQAGSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[C@@H]1C(=O)[O-] ZINC000626754771 953809037 /nfs/dbraw/zinc/80/90/37/953809037.db2.gz NKDVCXFJYFBNAM-UZLBHIALSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[C@@H]1C(=O)[O-] ZINC000626754771 953809056 /nfs/dbraw/zinc/80/90/56/953809056.db2.gz NKDVCXFJYFBNAM-UZLBHIALSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[C@@H]1C(=O)[O-] ZINC000626759864 953813277 /nfs/dbraw/zinc/81/32/77/953813277.db2.gz UQWNDOYUHACWLV-QNDFHXLGSA-N 0 1 399.535 3.039 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C)C(=O)[O-] ZINC000626769984 953817606 /nfs/dbraw/zinc/81/76/06/953817606.db2.gz YQSTYNOYHOFSRD-VQTJNVASSA-N 0 1 389.540 3.285 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC[C@@H]1C(=O)[O-] ZINC000626772507 953818614 /nfs/dbraw/zinc/81/86/14/953818614.db2.gz JALLSJZZZVOHFM-HOJAQTOUSA-N 0 1 399.535 3.041 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC[C@H]1C(=O)[O-] ZINC000629495233 953824636 /nfs/dbraw/zinc/82/46/36/953824636.db2.gz HXXKEGZHYHKZGH-DJKXOVBDSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000629498061 953829559 /nfs/dbraw/zinc/82/95/59/953829559.db2.gz HJLDUNGTZUVXSY-UZLBHIALSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1CCC[C@](C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)(N(C)C)C1 ZINC001589315292 953830489 /nfs/dbraw/zinc/83/04/89/953830489.db2.gz HHDDLPIYEXHMQC-LZJOCLMNSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000629498055 953831065 /nfs/dbraw/zinc/83/10/65/953831065.db2.gz HJLDUNGTZUVXSY-JXFKEZNVSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000629503234 953832078 /nfs/dbraw/zinc/83/20/78/953832078.db2.gz VPUXXRHGELHZNG-SYNHAJSKSA-N 0 1 386.517 3.386 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001594811597 953832666 /nfs/dbraw/zinc/83/26/66/953832666.db2.gz CIHYWDZOEWMJFI-RCCFBDPRSA-N 0 1 394.475 3.202 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019920 953873015 /nfs/dbraw/zinc/87/30/15/953873015.db2.gz FIIQXGAJECBQJX-AOMKIAJQSA-N 0 1 398.459 3.229 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635020670 953873367 /nfs/dbraw/zinc/87/33/67/953873367.db2.gz QHOJTDZGGXXFOE-QFIPXVFZSA-N 0 1 398.459 3.231 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019923 953873575 /nfs/dbraw/zinc/87/35/75/953873575.db2.gz FIIQXGAJECBQJX-ZHRRBRCNSA-N 0 1 398.459 3.229 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000635020357 953874522 /nfs/dbraw/zinc/87/45/22/953874522.db2.gz MACREZOHWJPABO-JOCHJYFZSA-N 0 1 398.459 3.149 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000635299733 953875939 /nfs/dbraw/zinc/87/59/39/953875939.db2.gz WWVGSISICGPVHN-UHFFFAOYSA-N 0 1 381.480 3.353 20 0 GGADMN Cn1nc(C(=O)[O-])cc1CN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000635303663 953879191 /nfs/dbraw/zinc/87/91/91/953879191.db2.gz XLKSWKVHGHTRPD-UHFFFAOYSA-N 0 1 382.508 3.139 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001589323957 953885196 /nfs/dbraw/zinc/88/51/96/953885196.db2.gz MQBKOAGAMQRGPF-FCGDIQPGSA-N 0 1 389.540 3.418 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])C1 ZINC001589325692 953905953 /nfs/dbraw/zinc/90/59/53/953905953.db2.gz QRKCRIUZAKAGMS-OPAMFIHVSA-N 0 1 397.519 3.120 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])C1 ZINC001589325691 953906093 /nfs/dbraw/zinc/90/60/93/953906093.db2.gz QRKCRIUZAKAGMS-KSFYIVLOSA-N 0 1 397.519 3.120 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646142421 953921284 /nfs/dbraw/zinc/92/12/84/953921284.db2.gz OWILDILRHSYBRQ-QGZVFWFLSA-N 0 1 387.524 3.457 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3C[C@@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000647367290 953954969 /nfs/dbraw/zinc/95/49/69/953954969.db2.gz KDPXVPGWIRAARC-CABCVRRESA-N 0 1 387.505 3.318 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000647376982 953957747 /nfs/dbraw/zinc/95/77/47/953957747.db2.gz HSWGVAVXOGORDP-INIZCTEOSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@H]1C(=O)[O-] ZINC001589333999 953974004 /nfs/dbraw/zinc/97/40/04/953974004.db2.gz IVKDZZZXLONFCF-QFBILLFUSA-N 0 1 379.932 3.037 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000647759063 953976135 /nfs/dbraw/zinc/97/61/35/953976135.db2.gz VGCZIDJHMWEVMX-BHIFYINESA-N 0 1 392.499 3.225 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H]1C(=O)[O-] ZINC001589334384 953978190 /nfs/dbraw/zinc/97/81/90/953978190.db2.gz OHLMRTBADKMJAS-IUODEOHRSA-N 0 1 381.473 3.120 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H]1C(=O)[O-] ZINC001589334384 953978200 /nfs/dbraw/zinc/97/82/00/953978200.db2.gz OHLMRTBADKMJAS-IUODEOHRSA-N 0 1 381.473 3.120 20 0 GGADMN O=C([O-])[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC001594833270 953999303 /nfs/dbraw/zinc/99/93/03/953999303.db2.gz XSTCGALGEARCRS-ANULTFPQSA-N 0 1 384.520 3.294 20 0 GGADMN C[C@@H](CCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000652091985 954051471 /nfs/dbraw/zinc/05/14/71/954051471.db2.gz AWYJXNXJKWWZLS-FDDCHVKYSA-N 0 1 397.519 3.239 20 0 GGADMN C[C@@H](CCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000652091987 954051702 /nfs/dbraw/zinc/05/17/02/954051702.db2.gz AWYJXNXJKWWZLS-MBSDFSHPSA-N 0 1 397.519 3.239 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000652097510 954063790 /nfs/dbraw/zinc/06/37/90/954063790.db2.gz IJPSRKDKBZLXRF-SNCRXVCESA-N 0 1 387.524 3.323 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000652100520 954064661 /nfs/dbraw/zinc/06/46/61/954064661.db2.gz GCOZDGSCBDHAIY-UYAOXDASSA-N 0 1 389.540 3.431 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000652099172 954064981 /nfs/dbraw/zinc/06/49/81/954064981.db2.gz PLBDKNYPKQISMO-PNYFIKQUSA-N 0 1 389.540 3.426 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000652100724 954065311 /nfs/dbraw/zinc/06/53/11/954065311.db2.gz UYPJTEGSJJOKII-LJQANCHMSA-N 0 1 375.513 3.185 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000652469877 954086796 /nfs/dbraw/zinc/08/67/96/954086796.db2.gz HNRDAVUFRQLSAG-DOTOQJQBSA-N 0 1 375.852 3.072 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000652471007 954088354 /nfs/dbraw/zinc/08/83/54/954088354.db2.gz QCIXQLRPYGVAMI-HXUWFJFHSA-N 0 1 377.444 3.183 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@@H]1C(=O)[O-] ZINC001589353123 954099087 /nfs/dbraw/zinc/09/90/87/954099087.db2.gz MARUOMMEFZESEH-ZBFHGGJFSA-N 0 1 388.464 3.099 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC=CCC1 ZINC000653288473 954099488 /nfs/dbraw/zinc/09/94/88/954099488.db2.gz UZPDWZVAGGPRPJ-MIZPHKNDSA-N 0 1 382.504 3.311 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC001589353691 954108982 /nfs/dbraw/zinc/10/89/82/954108982.db2.gz WTDVDUVNGREMQW-VOQZNFBZSA-N 0 1 392.499 3.203 20 0 GGADMN CC(C)[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)N1CCC(C)CC1 ZINC001589353717 954109891 /nfs/dbraw/zinc/10/98/91/954109891.db2.gz XBYVRTMOIQELNW-ICSRJNTNSA-N 0 1 391.556 3.427 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1ccc(F)cc1 ZINC001594843934 954112448 /nfs/dbraw/zinc/11/24/48/954112448.db2.gz PODISZKYNHXUFS-OAHLLOKOSA-N 0 1 378.201 3.151 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC=CCC1 ZINC000653308704 954124089 /nfs/dbraw/zinc/12/40/89/954124089.db2.gz QEYVDFPGWACVJV-QFBILLFUSA-N 0 1 396.409 3.207 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC001589355270 954127990 /nfs/dbraw/zinc/12/79/90/954127990.db2.gz OUSPCCJLMUGAED-XHDPSFHLSA-N 0 1 378.270 3.382 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001589355757 954140318 /nfs/dbraw/zinc/14/03/18/954140318.db2.gz WBNGWFLBADJCJJ-HOTGVXAUSA-N 0 1 392.496 3.246 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)[nH+]c1 ZINC000653327964 954155782 /nfs/dbraw/zinc/15/57/82/954155782.db2.gz BTCVHTXOSZWESP-RTBURBONSA-N 0 1 379.460 3.036 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000653328539 954156701 /nfs/dbraw/zinc/15/67/01/954156701.db2.gz KGEWHGGRZAURIJ-IOMROCGXSA-N 0 1 378.472 3.328 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329380 954158387 /nfs/dbraw/zinc/15/83/87/954158387.db2.gz VRWQRBZTVXUAEY-VAMGGRTRSA-N 0 1 382.435 3.220 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329380 954158394 /nfs/dbraw/zinc/15/83/94/954158394.db2.gz VRWQRBZTVXUAEY-VAMGGRTRSA-N 0 1 382.435 3.220 20 0 GGADMN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548704 954198197 /nfs/dbraw/zinc/19/81/97/954198197.db2.gz JDWHAOQULLLHGY-VQIMIIECSA-N 0 1 375.513 3.094 20 0 GGADMN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548704 954198201 /nfs/dbraw/zinc/19/82/01/954198201.db2.gz JDWHAOQULLLHGY-VQIMIIECSA-N 0 1 375.513 3.094 20 0 GGADMN O=C([O-])C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC001594854015 954210206 /nfs/dbraw/zinc/21/02/06/954210206.db2.gz CLEBSPGBQJHOTR-VAMGGRTRSA-N 0 1 384.520 3.438 20 0 GGADMN O=C([O-])C1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC001594854014 954210234 /nfs/dbraw/zinc/21/02/34/954210234.db2.gz CLEBSPGBQJHOTR-SLFFLAALSA-N 0 1 384.520 3.438 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC=CCC1 ZINC001594855458 954226753 /nfs/dbraw/zinc/22/67/53/954226753.db2.gz FEIRVHUJSYSKGT-VLVHOKLOSA-N 0 1 382.504 3.214 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(=O)[O-] ZINC000655860816 954243541 /nfs/dbraw/zinc/24/35/41/954243541.db2.gz IDGMMUFFHNTGJI-FUHIMQAGSA-N 0 1 389.540 3.321 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(=O)[O-] ZINC000655860079 954243750 /nfs/dbraw/zinc/24/37/50/954243750.db2.gz FPCFKCUAMKAACC-QFBILLFUSA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000655861120 954245341 /nfs/dbraw/zinc/24/53/41/954245341.db2.gz NIWAXULTLNGPKM-APWZRJJASA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000655862168 954246545 /nfs/dbraw/zinc/24/65/45/954246545.db2.gz YVSIQYDMUHDQIB-APWZRJJASA-N 0 1 375.513 3.217 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655902307 954283882 /nfs/dbraw/zinc/28/38/82/954283882.db2.gz JZUKLLXLEPPSDS-HYVNUMGLSA-N 0 1 389.496 3.078 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001589382099 954285411 /nfs/dbraw/zinc/28/54/11/954285411.db2.gz DJDVSDJTQDOLCP-LSDHHAIUSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001589382099 954285421 /nfs/dbraw/zinc/28/54/21/954285421.db2.gz DJDVSDJTQDOLCP-LSDHHAIUSA-N 0 1 378.469 3.093 20 0 GGADMN O=C([O-])c1ccccc1C1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655908770 954292012 /nfs/dbraw/zinc/29/20/12/954292012.db2.gz SWTJFYUIMAJSBN-VQTJNVASSA-N 0 1 385.508 3.291 20 0 GGADMN O=C([O-])c1ccccc1C1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655908771 954292242 /nfs/dbraw/zinc/29/22/42/954292242.db2.gz SWTJFYUIMAJSBN-WOJBJXKFSA-N 0 1 385.508 3.291 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(=O)[O-] ZINC000659396631 954322216 /nfs/dbraw/zinc/32/22/16/954322216.db2.gz DYBTUGMLJJLDGP-HOJAQTOUSA-N 0 1 389.540 3.333 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659403255 954328020 /nfs/dbraw/zinc/32/80/20/954328020.db2.gz ICTQXKFDUQFTJH-YZGWKJHDSA-N 0 1 389.540 3.333 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659403254 954328598 /nfs/dbraw/zinc/32/85/98/954328598.db2.gz ICTQXKFDUQFTJH-YSIASYRMSA-N 0 1 389.540 3.333 20 0 GGADMN O=C([O-])C1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000659405931 954331378 /nfs/dbraw/zinc/33/13/78/954331378.db2.gz IATLOHIQHNESPI-GPJFCIFZSA-N 0 1 399.535 3.231 20 0 GGADMN CC[C@H]1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000659416840 954341676 /nfs/dbraw/zinc/34/16/76/954341676.db2.gz NNDONGHOUWBJBR-PMACEKPBSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000659755010 954357242 /nfs/dbraw/zinc/35/72/42/954357242.db2.gz UOVKONOZRLCAST-QGZVFWFLSA-N 0 1 396.487 3.312 20 0 GGADMN CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659755065 954357663 /nfs/dbraw/zinc/35/76/63/954357663.db2.gz VFJANRFJOYDQDH-FXAWDEMLSA-N 0 1 396.487 3.448 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1F ZINC001589396006 954371431 /nfs/dbraw/zinc/37/14/31/954371431.db2.gz QLQSZSCZWUCDFO-HOCLYGCPSA-N 0 1 379.476 3.042 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2cccc(I)c2)Cc2ccccc21 ZINC000385685559 972008931 /nfs/dbraw/zinc/00/89/31/972008931.db2.gz DXPXDQLTQHASNH-MRXNPFEDSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(I)c2)Cc2ccccc21 ZINC000385685559 972008935 /nfs/dbraw/zinc/00/89/35/972008935.db2.gz DXPXDQLTQHASNH-MRXNPFEDSA-N 0 1 393.224 3.475 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC[C@H]1C(=O)[O-] ZINC001589396091 954374562 /nfs/dbraw/zinc/37/45/62/954374562.db2.gz URFWEZUKCSHPIW-GDBMZVCRSA-N 0 1 388.464 3.099 20 0 GGADMN Cc1sc([C@@H](C)[NH2+][C@@H]2CCN(CC(=O)[O-])C2=O)nc1-c1ccc(Cl)cc1 ZINC000662210112 954381381 /nfs/dbraw/zinc/38/13/81/954381381.db2.gz CUODTCRWRWDITO-QMTHXVAHSA-N 0 1 393.896 3.108 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001589398748 954387690 /nfs/dbraw/zinc/38/76/90/954387690.db2.gz IHKUPVAKULPWRK-HOTGVXAUSA-N 0 1 383.444 3.351 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221126 954389638 /nfs/dbraw/zinc/38/96/38/954389638.db2.gz CQEFWBJFPUURHH-UNMCSNQZSA-N 0 1 378.472 3.246 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221126 954389652 /nfs/dbraw/zinc/38/96/52/954389652.db2.gz CQEFWBJFPUURHH-UNMCSNQZSA-N 0 1 378.472 3.246 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000662221466 954390341 /nfs/dbraw/zinc/39/03/41/954390341.db2.gz HDZAZQYTSPUMCL-MRXNPFEDSA-N 0 1 378.350 3.328 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000662221466 954390357 /nfs/dbraw/zinc/39/03/57/954390357.db2.gz HDZAZQYTSPUMCL-MRXNPFEDSA-N 0 1 378.350 3.328 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222959 954391887 /nfs/dbraw/zinc/39/18/87/954391887.db2.gz LDTFSUSOGFEMOG-WOJBJXKFSA-N 0 1 396.487 3.337 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222959 954391900 /nfs/dbraw/zinc/39/19/00/954391900.db2.gz LDTFSUSOGFEMOG-WOJBJXKFSA-N 0 1 396.487 3.337 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222952 954392178 /nfs/dbraw/zinc/39/21/78/954392178.db2.gz LDTFSUSOGFEMOG-VQTJNVASSA-N 0 1 396.487 3.337 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222952 954392191 /nfs/dbraw/zinc/39/21/91/954392191.db2.gz LDTFSUSOGFEMOG-VQTJNVASSA-N 0 1 396.487 3.337 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000662222141 954393505 /nfs/dbraw/zinc/39/35/05/954393505.db2.gz GMYWQYPRIVACOM-SFHVURJKSA-N 0 1 376.497 3.182 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000662222141 954393519 /nfs/dbraw/zinc/39/35/19/954393519.db2.gz GMYWQYPRIVACOM-SFHVURJKSA-N 0 1 376.497 3.182 20 0 GGADMN CCN(C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1)[C@H](C)c1ccc(F)cc1 ZINC000662225212 954394903 /nfs/dbraw/zinc/39/49/03/954394903.db2.gz YOMIRONPKDHUDT-QRWLVFNGSA-N 0 1 384.451 3.419 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(I)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC001589399012 954395678 /nfs/dbraw/zinc/39/56/78/954395678.db2.gz LPXAIMRPTRKTNF-ONGXEEELSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(I)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC001589399012 954395691 /nfs/dbraw/zinc/39/56/91/954395691.db2.gz LPXAIMRPTRKTNF-ONGXEEELSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(I)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001589399006 954396173 /nfs/dbraw/zinc/39/61/73/954396173.db2.gz LPXAIMRPTRKTNF-GXSJLCMTSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(I)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001589399006 954396186 /nfs/dbraw/zinc/39/61/86/954396186.db2.gz LPXAIMRPTRKTNF-GXSJLCMTSA-N 0 1 393.652 3.487 20 0 GGADMN C[N@@H+](CCCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCCCC1 ZINC001593750448 954399914 /nfs/dbraw/zinc/39/99/14/954399914.db2.gz SXYPMFYJOKFLKP-QGZVFWFLSA-N 0 1 377.529 3.325 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589400844 954425236 /nfs/dbraw/zinc/42/52/36/954425236.db2.gz IKYVLINJXIEWNM-APWZRJJASA-N 0 1 381.476 3.203 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001593756752 954457319 /nfs/dbraw/zinc/45/73/19/954457319.db2.gz FDRCXRUAHVXYAT-UHFFFAOYSA-N 0 1 378.270 3.044 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C[C@H]1OCCc2ccccc21 ZINC001593760331 954480259 /nfs/dbraw/zinc/48/02/59/954480259.db2.gz LCIIDRAGWXHFNE-FXAWDEMLSA-N 0 1 384.476 3.326 20 0 GGADMN CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593760381 954480883 /nfs/dbraw/zinc/48/08/83/954480883.db2.gz OANTVRWAXDGMNN-PMACEKPBSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001593760381 954480891 /nfs/dbraw/zinc/48/08/91/954480891.db2.gz OANTVRWAXDGMNN-PMACEKPBSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001593760381 954480903 /nfs/dbraw/zinc/48/09/03/954480903.db2.gz OANTVRWAXDGMNN-PMACEKPBSA-N 0 1 397.519 3.287 20 0 GGADMN CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593760518 954481810 /nfs/dbraw/zinc/48/18/10/954481810.db2.gz OANTVRWAXDGMNN-WOJBJXKFSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001593760518 954481815 /nfs/dbraw/zinc/48/18/15/954481815.db2.gz OANTVRWAXDGMNN-WOJBJXKFSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001593760518 954481822 /nfs/dbraw/zinc/48/18/22/954481822.db2.gz OANTVRWAXDGMNN-WOJBJXKFSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccnc2C(=O)[O-])CC1 ZINC001593760675 954485515 /nfs/dbraw/zinc/48/55/15/954485515.db2.gz JYSHSJKWWVUETF-UHFFFAOYSA-N 0 1 382.464 3.156 20 0 GGADMN O=C([O-])[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000663102012 954487723 /nfs/dbraw/zinc/48/77/23/954487723.db2.gz WGALWLHZIGODEO-REWPJTCUSA-N 0 1 384.520 3.392 20 0 GGADMN C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)[C@@H](C(=O)[O-])C1CC1 ZINC001593761112 954494964 /nfs/dbraw/zinc/49/49/64/954494964.db2.gz SRGQJNLNGMALKI-GDBMZVCRSA-N 0 1 398.297 3.302 20 0 GGADMN CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000663112706 954504126 /nfs/dbraw/zinc/50/41/26/954504126.db2.gz OLDBEUITTHJNHO-IBGZPJMESA-N 0 1 398.425 3.241 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC000663134778 954522959 /nfs/dbraw/zinc/52/29/59/954522959.db2.gz LLJIXEWEUUQELC-PZJWPPBQSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)Cc2ccccc21 ZINC000663136665 954524460 /nfs/dbraw/zinc/52/44/60/954524460.db2.gz YQSCPOQVQZBIHN-SFTDATJTSA-N 0 1 378.472 3.252 20 0 GGADMN O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000666540238 954552742 /nfs/dbraw/zinc/55/27/42/954552742.db2.gz JPIFVIABFUUFOO-XSDIEEQYSA-N 0 1 399.535 3.183 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001593775178 954598325 /nfs/dbraw/zinc/59/83/25/954598325.db2.gz AFCUICVPYBRZNW-VWPFQQQWSA-N 0 1 397.878 3.024 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)c2)C1 ZINC001593780388 954646833 /nfs/dbraw/zinc/64/68/33/954646833.db2.gz CHPSTFNPFHGRFJ-WIYYLYMNSA-N 0 1 378.472 3.320 20 0 GGADMN O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+]Cc1csc(COc3ccccc3)n1)O2 ZINC001594907513 954689629 /nfs/dbraw/zinc/68/96/29/954689629.db2.gz PSTFINSOTHLCHS-WSGJVKOYSA-N 0 1 388.489 3.224 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCCC[C@H]([C@@H]4CCOC4)C3)o2)C1 ZINC001594914342 954725533 /nfs/dbraw/zinc/72/55/33/954725533.db2.gz FYFHVAVMNSGCJT-RCCFBDPRSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])C1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001594914341 954726159 /nfs/dbraw/zinc/72/61/59/954726159.db2.gz BZFASFOIAKLCQB-OAQYLSRUSA-N 0 1 398.478 3.350 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594915302 954742482 /nfs/dbraw/zinc/74/24/82/954742482.db2.gz KIUXUMOMLGOSCM-HOTGVXAUSA-N 0 1 389.521 3.492 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@](O)(c4ccccc4)C3)o2)C1 ZINC001594915693 954749565 /nfs/dbraw/zinc/74/95/65/954749565.db2.gz KNKGGSVQGWCXFT-HTAPYJJXSA-N 0 1 384.476 3.064 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(OCC4CC4)nc3)o2)C1 ZINC001594917024 954765346 /nfs/dbraw/zinc/76/53/46/954765346.db2.gz QUJBYSSQROZVAX-KRWDZBQOSA-N 0 1 385.464 3.054 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)o2)C1 ZINC001594917154 954767810 /nfs/dbraw/zinc/76/78/10/954767810.db2.gz NAGLWEZHTRFLJH-INIZCTEOSA-N 0 1 387.455 3.042 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccnc(OCC4CC4)c3)o2)C1 ZINC001594917732 954775011 /nfs/dbraw/zinc/77/50/11/954775011.db2.gz XAGVAZAANVDUKS-KRWDZBQOSA-N 0 1 385.464 3.054 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)o2)C1 ZINC001594917846 954775757 /nfs/dbraw/zinc/77/57/57/954775757.db2.gz QKBATGHETYZNEH-GHTZIAJQSA-N 0 1 398.503 3.453 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594918518 954782634 /nfs/dbraw/zinc/78/26/34/954782634.db2.gz UECQHNDVVGDRPK-LSDHHAIUSA-N 0 1 375.494 3.102 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)o2)C1 ZINC001594918890 954785831 /nfs/dbraw/zinc/78/58/31/954785831.db2.gz WAANEVYQCJXGDL-LJQANCHMSA-N 0 1 397.519 3.335 20 0 GGADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002830 972050483 /nfs/dbraw/zinc/05/04/83/972050483.db2.gz NATWMONZLFOHPC-APWZRJJASA-N 0 1 376.497 3.218 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)Cc2ccccc21 ZINC001594946270 954915783 /nfs/dbraw/zinc/91/57/83/954915783.db2.gz GFYVVYGTNKMHAQ-ICSRJNTNSA-N 0 1 385.508 3.177 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)Cc2ccccc21 ZINC001594951326 954950520 /nfs/dbraw/zinc/95/05/20/954950520.db2.gz GXJVEMSZZLQAIW-QGZVFWFLSA-N 0 1 386.879 3.361 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953175 954965125 /nfs/dbraw/zinc/96/51/25/954965125.db2.gz CFKLAFXUDRSHOL-QAPCUYQASA-N 0 1 396.270 3.417 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953177 954965636 /nfs/dbraw/zinc/96/56/36/954965636.db2.gz CFKLAFXUDRSHOL-YJBOKZPZSA-N 0 1 396.270 3.417 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC001594965472 955048745 /nfs/dbraw/zinc/04/87/45/955048745.db2.gz SWRCFJPZTQSOIW-INIZCTEOSA-N 0 1 390.233 3.362 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC001594965472 955048759 /nfs/dbraw/zinc/04/87/59/955048759.db2.gz SWRCFJPZTQSOIW-INIZCTEOSA-N 0 1 390.233 3.362 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001594965517 955049925 /nfs/dbraw/zinc/04/99/25/955049925.db2.gz VPDZRMMVHGGBBW-YJBOKZPZSA-N 0 1 396.270 3.417 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc([C@H](C)C(F)(F)F)cc1)C[C@@H]2C(=O)[O-] ZINC001593824606 955082501 /nfs/dbraw/zinc/08/25/01/955082501.db2.gz PRTGEGRFUNLLQJ-IHCGZUGKSA-N 0 1 399.409 3.438 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc([C@@H](C)C(F)(F)F)cc1)C[C@H]2C(=O)[O-] ZINC001593824608 955083862 /nfs/dbraw/zinc/08/38/62/955083862.db2.gz PRTGEGRFUNLLQJ-IRLWIRLSSA-N 0 1 399.409 3.438 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(OC)c(C(C)(C)C)c1)C[C@H]2C(=O)[O-] ZINC001593825042 955092324 /nfs/dbraw/zinc/09/23/24/955092324.db2.gz WDVJVKKWGYCSBS-YSJWXEPDSA-N 0 1 389.492 3.079 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc3ccnc(Cl)c3s1)C[C@H]2C(=O)[O-] ZINC001593825124 955094948 /nfs/dbraw/zinc/09/49/48/955094948.db2.gz XXVXLTQKBTYPFW-HLZQHVJHSA-N 0 1 394.880 3.036 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc3ccnc(Cl)c3s1)C[C@@H]2C(=O)[O-] ZINC001593825128 955095406 /nfs/dbraw/zinc/09/54/06/955095406.db2.gz XXVXLTQKBTYPFW-NOBQPIJMSA-N 0 1 394.880 3.036 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCCCCC(=O)[O-])CCCCC1 ZINC000714224836 955103150 /nfs/dbraw/zinc/10/31/50/955103150.db2.gz ZWHWWZLEJQRJDU-UHFFFAOYSA-N 0 1 375.513 3.375 20 0 GGADMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001593841337 955368133 /nfs/dbraw/zinc/36/81/33/955368133.db2.gz WJCBRPXPGCMEQQ-UHFFFAOYSA-N 0 1 397.349 3.346 20 0 GGADMN CN(CCC(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000818429078 955398522 /nfs/dbraw/zinc/39/85/22/955398522.db2.gz LYLAEXSZIOOGMF-UHFFFAOYSA-N 0 1 388.295 3.074 20 0 GGADMN Cn1c(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)nc2ccc(Br)cc21 ZINC001594518769 955444601 /nfs/dbraw/zinc/44/46/01/955444601.db2.gz QPRSNZVUGWBYFC-INIZCTEOSA-N 0 1 392.228 3.390 20 0 GGADMN Cn1c(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)nc2ccc(Br)cc21 ZINC001594518770 955445394 /nfs/dbraw/zinc/44/53/94/955445394.db2.gz QPRSNZVUGWBYFC-MRXNPFEDSA-N 0 1 392.228 3.390 20 0 GGADMN CN(C)c1nc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c(Cl)n1-c1ccccc1 ZINC000843041542 955620706 /nfs/dbraw/zinc/62/07/06/955620706.db2.gz RXNAVYYJWHVBNB-UHFFFAOYSA-N 0 1 376.888 3.278 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000843329199 955632271 /nfs/dbraw/zinc/63/22/71/955632271.db2.gz BWGLLSHXWPGRHN-UHFFFAOYSA-N 0 1 386.414 3.383 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])co2)cc1 ZINC001593875832 955667817 /nfs/dbraw/zinc/66/78/17/955667817.db2.gz KNFNLVZQFHSMIE-LJQANCHMSA-N 0 1 392.411 3.312 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])co2)cc1 ZINC001593875832 955667826 /nfs/dbraw/zinc/66/78/26/955667826.db2.gz KNFNLVZQFHSMIE-LJQANCHMSA-N 0 1 392.411 3.312 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCCC[C@H]3CC(=O)[O-])cc(=O)oc2c1 ZINC000844835637 955677715 /nfs/dbraw/zinc/67/77/15/955677715.db2.gz MNNKGYOTZDPIPE-HNNXBMFYSA-N 0 1 388.420 3.191 20 0 GGADMN COC(=O)c1ccc(COc2ccccc2C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC001593879491 955697217 /nfs/dbraw/zinc/69/72/17/955697217.db2.gz MBZMEWPJIPVFNQ-UHFFFAOYSA-N 0 1 383.444 3.349 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271059 955701430 /nfs/dbraw/zinc/70/14/30/955701430.db2.gz QSYXHCCKZMISEJ-WMLDXEAASA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271059 955701438 /nfs/dbraw/zinc/70/14/38/955701438.db2.gz QSYXHCCKZMISEJ-WMLDXEAASA-N 0 1 394.240 3.306 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000852740852 955853394 /nfs/dbraw/zinc/85/33/94/955853394.db2.gz VFHLYNUEIBYPSG-UHFFFAOYSA-N 0 1 375.513 3.438 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000852740852 955853409 /nfs/dbraw/zinc/85/34/09/955853409.db2.gz VFHLYNUEIBYPSG-UHFFFAOYSA-N 0 1 375.513 3.438 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)C3(C(=O)[O-])CCCCCC3)cc2Cl)CC1 ZINC000852945057 955860315 /nfs/dbraw/zinc/86/03/15/955860315.db2.gz WEVNNMICTWJCIM-UHFFFAOYSA-N 0 1 393.915 3.456 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])C1 ZINC001603068718 972137428 /nfs/dbraw/zinc/13/74/28/972137428.db2.gz WVJXRTZIYNMLNG-IIBYNOLFSA-N 0 1 397.519 3.262 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)nc2N(C)C)cc1 ZINC000859814925 955913507 /nfs/dbraw/zinc/91/35/07/955913507.db2.gz KLSNKSBUHYMPDB-GDBMZVCRSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)nc2N(C)C)cc1 ZINC000859814925 955913515 /nfs/dbraw/zinc/91/35/15/955913515.db2.gz KLSNKSBUHYMPDB-GDBMZVCRSA-N 0 1 390.915 3.443 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)cn1 ZINC000873642921 956070788 /nfs/dbraw/zinc/07/07/88/956070788.db2.gz DRKBJFQNJAFFBW-CABCVRRESA-N 0 1 397.397 3.052 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C2)cn1 ZINC000873642923 956072166 /nfs/dbraw/zinc/07/21/66/956072166.db2.gz DRKBJFQNJAFFBW-HUUCEWRRSA-N 0 1 397.397 3.052 20 0 GGADMN C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873643930 956076406 /nfs/dbraw/zinc/07/64/06/956076406.db2.gz ACDQJUQBCGKKCW-YUELXQCFSA-N 0 1 392.297 3.434 20 0 GGADMN C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000873643927 956079069 /nfs/dbraw/zinc/07/90/69/956079069.db2.gz ACDQJUQBCGKKCW-SNPRPXQTSA-N 0 1 392.297 3.434 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000873643999 956079349 /nfs/dbraw/zinc/07/93/49/956079349.db2.gz BHAWVCJMECOVDH-UONOGXRCSA-N 0 1 397.397 3.008 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000873644000 956081430 /nfs/dbraw/zinc/08/14/30/956081430.db2.gz BHAWVCJMECOVDH-ZIAGYGMSSA-N 0 1 397.397 3.008 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](CCCOc3cccc(Cl)c3)C2)cn1 ZINC000873644768 956083141 /nfs/dbraw/zinc/08/31/41/956083141.db2.gz GMMUFGOFXRYBLJ-GJZGRUSLSA-N 0 1 377.872 3.033 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)cn1 ZINC000873644544 956083590 /nfs/dbraw/zinc/08/35/90/956083590.db2.gz DKOMKJLZVVGZRJ-LSDHHAIUSA-N 0 1 384.867 3.312 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)cn1 ZINC000873644542 956084222 /nfs/dbraw/zinc/08/42/22/956084222.db2.gz DKOMKJLZVVGZRJ-GJZGRUSLSA-N 0 1 384.867 3.312 20 0 GGADMN Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873645102 956085598 /nfs/dbraw/zinc/08/55/98/956085598.db2.gz TWXPGGBVRMETGX-UONOGXRCSA-N 0 1 386.477 3.135 20 0 GGADMN Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873645103 956086015 /nfs/dbraw/zinc/08/60/15/956086015.db2.gz TWXPGGBVRMETGX-ZIAGYGMSSA-N 0 1 386.477 3.135 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(F)c(Br)c3)C2)cn1 ZINC000873645479 956088639 /nfs/dbraw/zinc/08/86/39/956088639.db2.gz NZVHQXFLOCMUJS-STQMWFEESA-N 0 1 396.260 3.012 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(F)c(Br)c3)C2)cn1 ZINC000873645477 956089840 /nfs/dbraw/zinc/08/98/40/956089840.db2.gz NZVHQXFLOCMUJS-OLZOCXBDSA-N 0 1 396.260 3.012 20 0 GGADMN Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)cs2)o1 ZINC000873645905 956090820 /nfs/dbraw/zinc/09/08/20/956090820.db2.gz SSQVMQDNLVLUHC-KGLIPLIRSA-N 0 1 386.477 3.135 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(F)c3Br)C2)cn1 ZINC000874047977 956109985 /nfs/dbraw/zinc/10/99/85/956109985.db2.gz FWEIHNNIGHQZGH-STQMWFEESA-N 0 1 396.260 3.012 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(F)c3Br)C2)cn1 ZINC000874047975 956110949 /nfs/dbraw/zinc/11/09/49/956110949.db2.gz FWEIHNNIGHQZGH-OLZOCXBDSA-N 0 1 396.260 3.012 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)cn1 ZINC000874049027 956112572 /nfs/dbraw/zinc/11/25/72/956112572.db2.gz GCXNVGLWLMDNBU-QWHCGFSZSA-N 0 1 385.361 3.268 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)cn1 ZINC000874049896 956115712 /nfs/dbraw/zinc/11/57/12/956115712.db2.gz KNIZZEZLNYOCFZ-STQMWFEESA-N 0 1 385.361 3.268 20 0 GGADMN COc1cc(Cl)c(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000874051747 956116641 /nfs/dbraw/zinc/11/66/41/956116641.db2.gz SBBSVKZACDCUSF-YPMHNXCESA-N 0 1 398.290 3.426 20 0 GGADMN COc1cc(Cl)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000874051744 956116927 /nfs/dbraw/zinc/11/69/27/956116927.db2.gz SBBSVKZACDCUSF-AAEUAGOBSA-N 0 1 398.290 3.426 20 0 GGADMN O=C([O-])c1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000874388111 956134788 /nfs/dbraw/zinc/13/47/88/956134788.db2.gz MHKJGWNEWGUPIB-IBGZPJMESA-N 0 1 381.476 3.239 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C(=O)[O-])[C@@H]1c1cccs1 ZINC000874392575 956144284 /nfs/dbraw/zinc/14/42/84/956144284.db2.gz UDZASROAJIYRRM-MAUKXSAKSA-N 0 1 387.505 3.329 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1cnn(CC2CCC2)c1 ZINC001589131275 956193461 /nfs/dbraw/zinc/19/34/61/956193461.db2.gz GZDROSXOJFLBDZ-RDJZCZTQSA-N 0 1 386.496 3.428 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000874415790 956200809 /nfs/dbraw/zinc/20/08/09/956200809.db2.gz WOPIAJKSUQIRKY-KDURUIRLSA-N 0 1 385.508 3.080 20 0 GGADMN C[C@]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)(C(=O)[O-])c1ccccc1 ZINC001589132425 956213270 /nfs/dbraw/zinc/21/32/70/956213270.db2.gz RAELRPNBSPHZCY-GOSISDBHSA-N 0 1 391.349 3.444 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCCCC1 ZINC000874421607 956215665 /nfs/dbraw/zinc/21/56/65/956215665.db2.gz KIOFDHUEJCTTFI-OAQYLSRUSA-N 0 1 387.524 3.328 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603099502 972172263 /nfs/dbraw/zinc/17/22/63/972172263.db2.gz NZYSKEHQIZDVLX-GOSISDBHSA-N 0 1 382.464 3.154 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000898840371 956267185 /nfs/dbraw/zinc/26/71/85/956267185.db2.gz JBMHXVHOKJSPKV-UXHICEINSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@H](c1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000899311932 956282441 /nfs/dbraw/zinc/28/24/41/956282441.db2.gz TZBRKNTUKFPPND-APWZRJJASA-N 0 1 389.496 3.331 20 0 GGADMN C[C@H](c1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000899311935 956283286 /nfs/dbraw/zinc/28/32/86/956283286.db2.gz TZBRKNTUKFPPND-VQIMIIECSA-N 0 1 389.496 3.331 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000901416002 956304320 /nfs/dbraw/zinc/30/43/20/956304320.db2.gz QGLPFHVOMSHGNS-ZDUSSCGKSA-N 0 1 378.270 3.240 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000901415983 956304711 /nfs/dbraw/zinc/30/47/11/956304711.db2.gz PTMIZALPSDNVCL-CYBMUJFWSA-N 0 1 378.270 3.240 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000901575678 956348230 /nfs/dbraw/zinc/34/82/30/956348230.db2.gz SKWCWBRIBUTPQO-VQTJNVASSA-N 0 1 384.520 3.392 20 0 GGADMN CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000901607466 956372820 /nfs/dbraw/zinc/37/28/20/956372820.db2.gz AZLHZRYWTLMEHQ-UHFFFAOYSA-N 0 1 386.536 3.291 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)/C=C\c2ccc(C(=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000901624556 956386758 /nfs/dbraw/zinc/38/67/58/956386758.db2.gz LQYGDJFAWGNHSK-XEUQTBLPSA-N 0 1 382.460 3.408 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)c2coc(/C=C/C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000901625814 956388087 /nfs/dbraw/zinc/38/80/87/956388087.db2.gz UVALNAWMYQBTEV-FEHORCSSSA-N 0 1 382.460 3.408 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)c2coc(/C=C/C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000901625815 956388456 /nfs/dbraw/zinc/38/84/56/956388456.db2.gz UVALNAWMYQBTEV-KTJBFALPSA-N 0 1 382.460 3.408 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000901653137 956404184 /nfs/dbraw/zinc/40/41/84/956404184.db2.gz XXLXLZPRESUPNC-AYWYSENESA-N 0 1 386.536 3.350 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)[C@H]1c1cccs1 ZINC000901799210 956477489 /nfs/dbraw/zinc/47/74/89/956477489.db2.gz PZLUQGDCELGWHM-ZFWWWQNUSA-N 0 1 378.538 3.384 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1=O ZINC001589174848 956485833 /nfs/dbraw/zinc/48/58/33/956485833.db2.gz KUZFLCXZPLMOGW-VOBQZIQPSA-N 0 1 382.435 3.172 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC001593966323 956545523 /nfs/dbraw/zinc/54/55/23/956545523.db2.gz HVJZASJUSGBKHT-SBUREZEXSA-N 0 1 396.487 3.028 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3cccc(OC)c3)cc2)C1 ZINC001593966343 956545716 /nfs/dbraw/zinc/54/57/16/956545716.db2.gz AATAAIVFAIMSOA-JOCHJYFZSA-N 0 1 385.460 3.197 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000901925668 956547494 /nfs/dbraw/zinc/54/74/94/956547494.db2.gz NHCGEYASNNOYKW-LECLMCCNSA-N 0 1 382.460 3.362 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC000901934331 956552850 /nfs/dbraw/zinc/55/28/50/956552850.db2.gz LLKVOYQKCXUVSD-WMZOPIPTSA-N 0 1 385.464 3.263 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC000901934328 956552968 /nfs/dbraw/zinc/55/29/68/956552968.db2.gz LLKVOYQKCXUVSD-AEFFLSMTSA-N 0 1 385.464 3.263 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000901948189 956560582 /nfs/dbraw/zinc/56/05/82/956560582.db2.gz VQFOCHMWSSECRD-WOJBJXKFSA-N 0 1 378.472 3.031 20 0 GGADMN C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001589188305 956577789 /nfs/dbraw/zinc/57/77/89/956577789.db2.gz YHIJWCYOKVWVCP-REWPJTCUSA-N 0 1 398.478 3.350 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000901996598 956596186 /nfs/dbraw/zinc/59/61/86/956596186.db2.gz HQLNDSMKEYASAT-OKZBNKHCSA-N 0 1 380.488 3.437 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000902045970 956629797 /nfs/dbraw/zinc/62/97/97/956629797.db2.gz YUYUFMJTGMLNRT-UHFFFAOYSA-N 0 1 378.270 3.382 20 0 GGADMN CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902145600 956662054 /nfs/dbraw/zinc/66/20/54/956662054.db2.gz ZUBWPAKZXACGOX-ZTBDEIDFSA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902145600 956662059 /nfs/dbraw/zinc/66/20/59/956662059.db2.gz ZUBWPAKZXACGOX-ZTBDEIDFSA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000902151921 956663104 /nfs/dbraw/zinc/66/31/04/956663104.db2.gz HOXIVYILKGYBSS-OAQYLSRUSA-N 0 1 396.487 3.133 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000902180913 956680272 /nfs/dbraw/zinc/68/02/72/956680272.db2.gz UEAJOSJXSRMLLV-KDXIVRHGSA-N 0 1 398.547 3.494 20 0 GGADMN O=C([O-])COc1ccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000902267793 956690492 /nfs/dbraw/zinc/69/04/92/956690492.db2.gz DSDYYSLHFQRKJD-FQEVSTJZSA-N 0 1 396.487 3.325 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000902270065 956692068 /nfs/dbraw/zinc/69/20/68/956692068.db2.gz LXQILJQWHBMTGT-HXUWFJFHSA-N 0 1 380.488 3.488 20 0 GGADMN C[N@@H+](CC(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21)CC(C)(C)C ZINC000902323121 956702670 /nfs/dbraw/zinc/70/26/70/956702670.db2.gz DCRQZTDEDGYNIE-CYBMUJFWSA-N 0 1 397.313 3.332 20 0 GGADMN COC[C@@]1(C(=O)[O-])C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CCO1 ZINC001593984410 956748037 /nfs/dbraw/zinc/74/80/37/956748037.db2.gz PZWTYPWAKJFMJB-HXUWFJFHSA-N 0 1 375.852 3.309 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC001594692588 956759744 /nfs/dbraw/zinc/75/97/44/956759744.db2.gz UYYYTSRLXQBKPL-GFCCVEGCSA-N 0 1 384.461 3.027 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)C1 ZINC001594692588 956759748 /nfs/dbraw/zinc/75/97/48/956759748.db2.gz UYYYTSRLXQBKPL-GFCCVEGCSA-N 0 1 384.461 3.027 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000902695110 956771449 /nfs/dbraw/zinc/77/14/49/956771449.db2.gz WMDFUVCZRSMRKN-FQEVSTJZSA-N 0 1 396.487 3.277 20 0 GGADMN CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000902700753 956775052 /nfs/dbraw/zinc/77/50/52/956775052.db2.gz GLYIBWUOROQMBX-KRWDZBQOSA-N 0 1 385.508 3.047 20 0 GGADMN COC[C@]1(C(=O)[O-])C[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCO1 ZINC001593986478 956792895 /nfs/dbraw/zinc/79/28/95/956792895.db2.gz XNNDYZLXUGXBSS-VSFNPRRYSA-N 0 1 397.471 3.081 20 0 GGADMN COC[C@]1(C(=O)[O-])C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCO1 ZINC001593986478 956792899 /nfs/dbraw/zinc/79/28/99/956792899.db2.gz XNNDYZLXUGXBSS-VSFNPRRYSA-N 0 1 397.471 3.081 20 0 GGADMN CC1(C)CC[N@@H+](CCNC(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589226522 956803573 /nfs/dbraw/zinc/80/35/73/956803573.db2.gz YNJJSVJFCAPWMH-UHFFFAOYSA-N 0 1 384.274 3.001 20 0 GGADMN COCC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccc(C)o1 ZINC001593990365 956834334 /nfs/dbraw/zinc/83/43/34/956834334.db2.gz DFRZHPLJQXMTDB-WBVHZDCISA-N 0 1 376.453 3.349 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001589232288 956836349 /nfs/dbraw/zinc/83/63/49/956836349.db2.gz QUWNSXRPFKVLNG-FQEVSTJZSA-N 0 1 380.488 3.344 20 0 GGADMN COC(=O)C1CC2(C1)C[N@H+]([C@@H](C)c1ccccc1Br)C[C@H]2C(=O)[O-] ZINC000903415885 956844320 /nfs/dbraw/zinc/84/43/20/956844320.db2.gz MACRGPYORAMICG-FDUVVUAFSA-N 0 1 396.281 3.096 20 0 GGADMN COC(=O)C1CC2(C1)C[N@H+]([C@H](C)c1ccc(Br)cc1)C[C@@H]2C(=O)[O-] ZINC000903416064 956845751 /nfs/dbraw/zinc/84/57/51/956845751.db2.gz NWNPJFIRYQDHLZ-XDCZEYRVSA-N 0 1 396.281 3.096 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](CCSc1cccc(Cl)c1)C[C@H]2C(=O)[O-] ZINC000903417062 956848222 /nfs/dbraw/zinc/84/82/22/956848222.db2.gz UBXXOPJNSAIJAS-KVIBHRHWSA-N 0 1 383.897 3.018 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000903711842 956909661 /nfs/dbraw/zinc/90/96/61/956909661.db2.gz MJXOAMCHEHZZMK-JTQLQIEISA-N 0 1 396.793 3.109 20 0 GGADMN Cc1cccc(N2CC[NH+](Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CC2)c1 ZINC000904191185 956919019 /nfs/dbraw/zinc/91/90/19/956919019.db2.gz OVSBYTKSPSNYOB-UHFFFAOYSA-N 0 1 383.492 3.211 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)CC1 ZINC000904191603 956919506 /nfs/dbraw/zinc/91/95/06/956919506.db2.gz MHJRXGYSTSWCIK-SFHVURJKSA-N 0 1 388.464 3.355 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)CC1 ZINC000904191603 956919528 /nfs/dbraw/zinc/91/95/28/956919528.db2.gz MHJRXGYSTSWCIK-SFHVURJKSA-N 0 1 388.464 3.355 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904194537 956921572 /nfs/dbraw/zinc/92/15/72/956921572.db2.gz BQUSFQRQNBGYRA-HXUWFJFHSA-N 0 1 397.519 3.287 20 0 GGADMN C[C@@]1(CNC(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001589246244 956924113 /nfs/dbraw/zinc/92/41/13/956924113.db2.gz ASIIQZSARRZOOK-QFIPXVFZSA-N 0 1 381.476 3.347 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C12CCC2 ZINC000904195092 956925146 /nfs/dbraw/zinc/92/51/46/956925146.db2.gz IVTSJDTXYFZOGR-ZWKOTPCHSA-N 0 1 376.497 3.360 20 0 GGADMN COCC[C@H]([NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccc(C)o1 ZINC000904229637 956926807 /nfs/dbraw/zinc/92/68/07/956926807.db2.gz MJHXAAUYAQPSLS-KRWDZBQOSA-N 0 1 376.453 3.349 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)Cc1ccco1 ZINC000904238622 956934377 /nfs/dbraw/zinc/93/43/77/956934377.db2.gz BWMSRZKATOWVIW-UHFFFAOYSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904238622 956934391 /nfs/dbraw/zinc/93/43/91/956934391.db2.gz BWMSRZKATOWVIW-UHFFFAOYSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904238622 956934398 /nfs/dbraw/zinc/93/43/98/956934398.db2.gz BWMSRZKATOWVIW-UHFFFAOYSA-N 0 1 389.496 3.128 20 0 GGADMN C[C@H]1[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000904241327 956935421 /nfs/dbraw/zinc/93/54/21/956935421.db2.gz RNUBXGZVHRUODV-LAUBAEHRSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@H]1[C@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC[N@H+]1Cc1ccccc1 ZINC000904241327 956935435 /nfs/dbraw/zinc/93/54/35/956935435.db2.gz RNUBXGZVHRUODV-LAUBAEHRSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@@H]1[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000904241328 956935662 /nfs/dbraw/zinc/93/56/62/956935662.db2.gz RNUBXGZVHRUODV-UTKZUKDTSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@@H]1[C@@H](NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC[N@H+]1Cc1ccccc1 ZINC000904241328 956935675 /nfs/dbraw/zinc/93/56/75/956935675.db2.gz RNUBXGZVHRUODV-UTKZUKDTSA-N 0 1 397.519 3.333 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[NH2+][C@H](CCO)c3ccc(Cl)cc3)o2)CC1 ZINC000904241167 956936390 /nfs/dbraw/zinc/93/63/90/956936390.db2.gz QFBQZADPLURHIM-GOSISDBHSA-N 0 1 392.883 3.447 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[NH2+]Cc3ccnc(C(F)(F)F)c3)o2)CC1 ZINC000904243732 956937349 /nfs/dbraw/zinc/93/73/49/956937349.db2.gz CXTWFOQTCJIPPI-UHFFFAOYSA-N 0 1 383.370 3.284 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)o2)CC1 ZINC000904253344 956942940 /nfs/dbraw/zinc/94/29/40/956942940.db2.gz OWMUGPDROZKAQT-PKOBYXMFSA-N 0 1 376.497 3.362 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)o2)CC1 ZINC000904258362 956947937 /nfs/dbraw/zinc/94/79/37/956947937.db2.gz MFQQFZIKQPNWBI-INIZCTEOSA-N 0 1 390.377 3.447 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCC[C@@H](C4CCOCC4)C3)o2)CC1 ZINC000904261687 956949109 /nfs/dbraw/zinc/94/91/09/956949109.db2.gz JSQWOPHSXISQTL-GOSISDBHSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCCC[C@@H]([C@H]4CCOC4)C3)o2)CC1 ZINC000904273163 956954762 /nfs/dbraw/zinc/95/47/62/956954762.db2.gz UFWJCHQWPWZAMY-MSOLQXFVSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCCC[C@@H]([C@@H]4CCOC4)C3)o2)CC1 ZINC000904273164 956954905 /nfs/dbraw/zinc/95/49/05/956954905.db2.gz UFWJCHQWPWZAMY-QZTJIDSGSA-N 0 1 376.497 3.219 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1cnn(CC2CCC2)c1 ZINC000904272723 956955227 /nfs/dbraw/zinc/95/52/27/956955227.db2.gz XPUSEKRDOWLJNP-HNNXBMFYSA-N 0 1 386.496 3.428 20 0 GGADMN O=C([O-])c1ccc(/C=C/C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000908424400 956986709 /nfs/dbraw/zinc/98/67/09/956986709.db2.gz AMDRNJGUOKUCNM-PNKWUNSRSA-N 0 1 394.471 3.408 20 0 GGADMN COCC[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1cccs1 ZINC001594012122 957007369 /nfs/dbraw/zinc/00/73/69/957007369.db2.gz HOIYBMHJOACHPU-HNNXBMFYSA-N 0 1 378.494 3.291 20 0 GGADMN COCC[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1cccs1 ZINC001594012122 957007382 /nfs/dbraw/zinc/00/73/82/957007382.db2.gz HOIYBMHJOACHPU-HNNXBMFYSA-N 0 1 378.494 3.291 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589261916 957039492 /nfs/dbraw/zinc/03/94/92/957039492.db2.gz HXLBARQFKSGXSN-HRCADAONSA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001589261917 957040119 /nfs/dbraw/zinc/04/01/19/957040119.db2.gz HXLBARQFKSGXSN-OWCLPIDISA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589261914 957040289 /nfs/dbraw/zinc/04/02/89/957040289.db2.gz HXLBARQFKSGXSN-ARFHVFGLSA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001589262378 957044453 /nfs/dbraw/zinc/04/44/53/957044453.db2.gz NUFVUUAAPHAMFZ-ARFHVFGLSA-N 0 1 382.464 3.295 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC000911363309 957062902 /nfs/dbraw/zinc/06/29/02/957062902.db2.gz CNDXPUGZVIKRHV-UHFFFAOYSA-N 0 1 388.508 3.237 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000911556640 957081174 /nfs/dbraw/zinc/08/11/74/957081174.db2.gz VDEFDHKPGGEFJZ-NJDAHSKKSA-N 0 1 378.472 3.415 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000911556604 957081256 /nfs/dbraw/zinc/08/12/56/957081256.db2.gz UJTXVRVFXRNEAG-NJDAHSKKSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000911591732 957083811 /nfs/dbraw/zinc/08/38/11/957083811.db2.gz MTFFQTGPWHUJGG-LJQANCHMSA-N 0 1 384.501 3.041 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000911591732 957083822 /nfs/dbraw/zinc/08/38/22/957083822.db2.gz MTFFQTGPWHUJGG-LJQANCHMSA-N 0 1 384.501 3.041 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911774993 957091630 /nfs/dbraw/zinc/09/16/30/957091630.db2.gz UQLOSGVKWWKRFA-HBMCJLEFSA-N 0 1 398.478 3.267 20 0 GGADMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C)cc1I ZINC000923252263 957107976 /nfs/dbraw/zinc/10/79/76/957107976.db2.gz KSGDACPYMIIMPW-QMTHXVAHSA-N 0 1 387.261 3.451 20 0 GGADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)cc1I ZINC000923252262 957108764 /nfs/dbraw/zinc/10/87/64/957108764.db2.gz KSGDACPYMIIMPW-IINYFYTJSA-N 0 1 387.261 3.451 20 0 GGADMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)cc1I ZINC000923263409 957108834 /nfs/dbraw/zinc/10/88/34/957108834.db2.gz NATQKHPTMWQKMQ-GXTWGEPZSA-N 0 1 387.261 3.451 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)C1 ZINC000923466888 957112812 /nfs/dbraw/zinc/11/28/12/957112812.db2.gz BYDXWFIIAQVTQG-OAQYLSRUSA-N 0 1 384.480 3.004 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000923469321 957116069 /nfs/dbraw/zinc/11/60/69/957116069.db2.gz DULSHFVOXKEVOD-YJBOKZPZSA-N 0 1 384.398 3.388 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000923469311 957116119 /nfs/dbraw/zinc/11/61/19/957116119.db2.gz DULSHFVOXKEVOD-CRAIPNDOSA-N 0 1 384.398 3.388 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000923470583 957118869 /nfs/dbraw/zinc/11/88/69/957118869.db2.gz MOVHFAZMLJMDJM-JLTOFOAXSA-N 0 1 389.521 3.220 20 0 GGADMN CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@](CC)(C(=O)[O-])C1)n2CC ZINC000923472976 957123595 /nfs/dbraw/zinc/12/35/95/957123595.db2.gz XXBKMBRTASTEKL-NRFANRHFSA-N 0 1 387.480 3.310 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000923472541 957124158 /nfs/dbraw/zinc/12/41/58/957124158.db2.gz WNBOCUOYHFJRLW-LJQANCHMSA-N 0 1 396.509 3.057 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc2ccccc21 ZINC000923528329 957125218 /nfs/dbraw/zinc/12/52/18/957125218.db2.gz HXAKRFQDAMNFOK-LATRNWQMSA-N 0 1 380.488 3.448 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cs2)cc1 ZINC000923528575 957125656 /nfs/dbraw/zinc/12/56/56/957125656.db2.gz FXSIMYCTRJZAHI-ZWKOTPCHSA-N 0 1 399.516 3.175 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C1CC1 ZINC000923530155 957127418 /nfs/dbraw/zinc/12/74/18/957127418.db2.gz GJQPZJNIVZLYGQ-ZWKOTPCHSA-N 0 1 380.444 3.460 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001121816664 957210990 /nfs/dbraw/zinc/21/09/90/957210990.db2.gz CCFMMZKFPXEOMR-IQGAEYHTSA-N 0 1 385.508 3.252 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC001121892866 957223757 /nfs/dbraw/zinc/22/37/57/957223757.db2.gz RDJQSWGTTWWBDW-LPTQZCDUSA-N 0 1 393.487 3.046 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)[C@H]1c1cccs1 ZINC001121897956 957226134 /nfs/dbraw/zinc/22/61/34/957226134.db2.gz SOSBLZYGXHASBR-FCEWJHQRSA-N 0 1 393.553 3.417 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cs1 ZINC001329021355 957685631 /nfs/dbraw/zinc/68/56/31/957685631.db2.gz YRJSAKWTSYEDEY-GUYCJALGSA-N 0 1 399.516 3.050 20 0 GGADMN C[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[N@H+](C)Cc1ccccc1 ZINC001603192342 972293944 /nfs/dbraw/zinc/29/39/44/972293944.db2.gz IIWJIKDTHKFHKU-HKUYNNGSSA-N 0 1 385.508 3.191 20 0 GGADMN C[C@@H](CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[N@@H+](C)Cc1ccccc1 ZINC001603192342 972293947 /nfs/dbraw/zinc/29/39/47/972293947.db2.gz IIWJIKDTHKFHKU-HKUYNNGSSA-N 0 1 385.508 3.191 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC001335381094 957812559 /nfs/dbraw/zinc/81/25/59/957812559.db2.gz IQSLAIFFXATSSN-ZBFHGGJFSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC001335381094 957812571 /nfs/dbraw/zinc/81/25/71/957812571.db2.gz IQSLAIFFXATSSN-ZBFHGGJFSA-N 0 1 387.505 3.175 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001335560135 957815958 /nfs/dbraw/zinc/81/59/58/957815958.db2.gz MLABWDLUVBDIKI-VXKWHMMOSA-N 0 1 387.524 3.185 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001335560134 957816876 /nfs/dbraw/zinc/81/68/76/957816876.db2.gz MLABWDLUVBDIKI-FGZHOGPDSA-N 0 1 387.524 3.185 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC001335509120 957816971 /nfs/dbraw/zinc/81/69/71/957816971.db2.gz JOCVYOAMRFGJDY-UGKGYDQZSA-N 0 1 387.524 3.183 20 0 GGADMN O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001574799248 957829584 /nfs/dbraw/zinc/82/95/84/957829584.db2.gz DSOBMNFNKVEJAO-GLJAUCNMSA-N 0 1 380.444 3.116 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001338661131 957850508 /nfs/dbraw/zinc/85/05/08/957850508.db2.gz WITOOAREFHZEHV-LZNRXBQRSA-N 0 1 387.524 3.041 20 0 GGADMN Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c(C)c1 ZINC001594294016 957850834 /nfs/dbraw/zinc/85/08/34/957850834.db2.gz IZOUYLOGFDENRS-QGZVFWFLSA-N 0 1 399.491 3.234 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001339925555 957902859 /nfs/dbraw/zinc/90/28/59/957902859.db2.gz JJLSFJCYFWWKHI-QAJUQPOASA-N 0 1 393.487 3.262 20 0 GGADMN O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001339938038 957905245 /nfs/dbraw/zinc/90/52/45/957905245.db2.gz DQBWINDVANLUAO-VQTJNVASSA-N 0 1 387.524 3.470 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC001339945305 957909803 /nfs/dbraw/zinc/90/98/03/957909803.db2.gz JJVUXTYATMENPO-RTWAWAEBSA-N 0 1 393.487 3.217 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001341341529 957975339 /nfs/dbraw/zinc/97/53/39/957975339.db2.gz HYOXPPUVMWVGJT-LEWJYISDSA-N 0 1 393.487 3.135 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001341447875 957996581 /nfs/dbraw/zinc/99/65/81/957996581.db2.gz ABQZSJJYVMODBT-MOPGFXCFSA-N 0 1 395.459 3.256 20 0 GGADMN C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001343120165 958029479 /nfs/dbraw/zinc/02/94/79/958029479.db2.gz XLRKAUMAMWGMOQ-KCITZHQASA-N 0 1 387.524 3.038 20 0 GGADMN C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001343120165 958029490 /nfs/dbraw/zinc/02/94/90/958029490.db2.gz XLRKAUMAMWGMOQ-KCITZHQASA-N 0 1 387.524 3.038 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001343148928 958039824 /nfs/dbraw/zinc/03/98/24/958039824.db2.gz XLQZJTNKBJUGBB-NHCUHLMSSA-N 0 1 393.487 3.135 20 0 GGADMN CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001353155804 958151005 /nfs/dbraw/zinc/15/10/05/958151005.db2.gz MRNUDKDVGXDXCA-JRGCBEDISA-N 0 1 393.487 3.216 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)o1 ZINC001594069409 958169947 /nfs/dbraw/zinc/16/99/47/958169947.db2.gz DZJJQBNFUULVOZ-XJKSGUPXSA-N 0 1 381.432 3.441 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001357173239 958188480 /nfs/dbraw/zinc/18/84/80/958188480.db2.gz OASGJBNLUZTJOZ-XPGWFJOJSA-N 0 1 381.476 3.119 20 0 GGADMN CC[C@H](CNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C(=O)[O-] ZINC001357175587 958192324 /nfs/dbraw/zinc/19/23/24/958192324.db2.gz VKTYMOGDZJPICJ-MRXNPFEDSA-N 0 1 393.487 3.194 20 0 GGADMN CC[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC001521150575 958212677 /nfs/dbraw/zinc/21/26/77/958212677.db2.gz ANWYHHRZHRVFOO-MRXNPFEDSA-N 0 1 375.513 3.361 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001523010237 958237520 /nfs/dbraw/zinc/23/75/20/958237520.db2.gz OQUMQFNUFBJVTH-NQIIRXRSSA-N 0 1 376.472 3.284 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001523010237 958237525 /nfs/dbraw/zinc/23/75/25/958237525.db2.gz OQUMQFNUFBJVTH-NQIIRXRSSA-N 0 1 376.472 3.284 20 0 GGADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001594081202 958269481 /nfs/dbraw/zinc/26/94/81/958269481.db2.gz XVNDVSMIQIMBIB-HRAATJIYSA-N 0 1 392.496 3.100 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001594350512 958348615 /nfs/dbraw/zinc/34/86/15/958348615.db2.gz DIMWJPDNZNRLGJ-XJUOHMSHSA-N 0 1 392.499 3.363 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1OC ZINC001594091965 958351534 /nfs/dbraw/zinc/35/15/34/958351534.db2.gz CDCHVWBKSWOPTJ-MRXNPFEDSA-N 0 1 388.464 3.230 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1OC ZINC001594091964 958351621 /nfs/dbraw/zinc/35/16/21/958351621.db2.gz CDCHVWBKSWOPTJ-INIZCTEOSA-N 0 1 388.464 3.230 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)[O-])CC3)[C@H](c3ccco3)C2)cc1 ZINC001594353095 958377509 /nfs/dbraw/zinc/37/75/09/958377509.db2.gz CTYQZNJGNGWQMW-IBGZPJMESA-N 0 1 395.459 3.062 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@@H+](C)CCCC(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC001594353326 958382160 /nfs/dbraw/zinc/38/21/60/958382160.db2.gz NQQBAQKQINOZCO-SFHVURJKSA-N 0 1 383.448 3.062 20 0 GGADMN Cc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001594358734 958429087 /nfs/dbraw/zinc/42/90/87/958429087.db2.gz FOGVOGYFUABSRU-FCHUYYIVSA-N 0 1 392.499 3.286 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3ccccc3C(=O)[O-])C2)s1 ZINC001594360168 958440117 /nfs/dbraw/zinc/44/01/17/958440117.db2.gz LXXSIPXRIKQFKM-INIZCTEOSA-N 0 1 386.517 3.278 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360355 958444378 /nfs/dbraw/zinc/44/43/78/958444378.db2.gz VQGDKJSDIGGJLG-WOJBJXKFSA-N 0 1 397.519 3.253 20 0 GGADMN Cc1ccc(C[N@H+]2CC[C@@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360355 958444393 /nfs/dbraw/zinc/44/43/93/958444393.db2.gz VQGDKJSDIGGJLG-WOJBJXKFSA-N 0 1 397.519 3.253 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3C[C@@H](C)C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC001594369647 958537299 /nfs/dbraw/zinc/53/72/99/958537299.db2.gz IODUPEUQFVZCRK-GJZGRUSLSA-N 0 1 387.505 3.175 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cs1)c1ccc(F)cc1F ZINC001573344849 958548702 /nfs/dbraw/zinc/54/87/02/958548702.db2.gz VKRZPTVMQASSHY-SFHVURJKSA-N 0 1 395.431 3.403 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cs1)c1ccc(F)cc1F ZINC001573344849 958548715 /nfs/dbraw/zinc/54/87/15/958548715.db2.gz VKRZPTVMQASSHY-SFHVURJKSA-N 0 1 395.431 3.403 20 0 GGADMN COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccccc3C(=O)[O-])n2)c1 ZINC001594120153 958594146 /nfs/dbraw/zinc/59/41/46/958594146.db2.gz WWHKODOUYZCTAU-ZDUSSCGKSA-N 0 1 383.404 3.173 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)NCc1ccccc1COc1ccccc1 ZINC001573406219 958725021 /nfs/dbraw/zinc/72/50/21/958725021.db2.gz GZWOUESZLKIBRK-UHFFFAOYSA-N 0 1 398.503 3.315 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)NCc1ccccc1COc1ccccc1 ZINC001573406219 958725034 /nfs/dbraw/zinc/72/50/34/958725034.db2.gz GZWOUESZLKIBRK-UHFFFAOYSA-N 0 1 398.503 3.315 20 0 GGADMN COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594140182 958731453 /nfs/dbraw/zinc/73/14/53/958731453.db2.gz COVLJOJLYXZYKY-FFZOFVMBSA-N 0 1 396.487 3.015 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406873 958735100 /nfs/dbraw/zinc/73/51/00/958735100.db2.gz HVCANTXQVUTGSE-YCRPNKLZSA-N 0 1 376.472 3.269 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406872 958735470 /nfs/dbraw/zinc/73/54/70/958735470.db2.gz HVCANTXQVUTGSE-VFNWGFHPSA-N 0 1 376.472 3.269 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001573435378 958798631 /nfs/dbraw/zinc/79/86/31/958798631.db2.gz LGTMORBODFXCJE-WYADAEROSA-N 0 1 386.492 3.044 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001573435372 958799123 /nfs/dbraw/zinc/79/91/23/958799123.db2.gz LGTMORBODFXCJE-AYMMHLMVSA-N 0 1 386.492 3.044 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C ZINC001588527018 958868741 /nfs/dbraw/zinc/86/87/41/958868741.db2.gz OOAYZGVTHMHRBM-FHLIZLRMSA-N 0 1 382.460 3.206 20 0 GGADMN CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588533590 958908456 /nfs/dbraw/zinc/90/84/56/958908456.db2.gz GBRFLQMMMQPKGV-IBGZPJMESA-N 0 1 380.444 3.292 20 0 GGADMN C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588550921 959016262 /nfs/dbraw/zinc/01/62/62/959016262.db2.gz HMPKDHHWQKZRGA-RYQLBKOJSA-N 0 1 396.512 3.314 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001573547421 959216287 /nfs/dbraw/zinc/21/62/87/959216287.db2.gz OPDPVJHUWBREGW-CZUORRHYSA-N 0 1 395.297 3.227 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC001594213547 959308832 /nfs/dbraw/zinc/30/88/32/959308832.db2.gz GWQLZTNDBARHLH-DYESRHJHSA-N 0 1 396.487 3.209 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC001594213547 959308846 /nfs/dbraw/zinc/30/88/46/959308846.db2.gz GWQLZTNDBARHLH-DYESRHJHSA-N 0 1 396.487 3.209 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001594213724 959311412 /nfs/dbraw/zinc/31/14/12/959311412.db2.gz KWZKFLSSSUIYNW-VOQZNFBZSA-N 0 1 392.499 3.488 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001594213724 959311427 /nfs/dbraw/zinc/31/14/27/959311427.db2.gz KWZKFLSSSUIYNW-VOQZNFBZSA-N 0 1 392.499 3.488 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001594213727 959312319 /nfs/dbraw/zinc/31/23/19/959312319.db2.gz KWZKFLSSSUIYNW-ZPMCFJSWSA-N 0 1 392.499 3.488 20 0 GGADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001594213727 959312326 /nfs/dbraw/zinc/31/23/26/959312326.db2.gz KWZKFLSSSUIYNW-ZPMCFJSWSA-N 0 1 392.499 3.488 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC001588596116 959369759 /nfs/dbraw/zinc/36/97/59/959369759.db2.gz BGPGVANUVBDTFV-ZETCQYMHSA-N 0 1 392.091 3.231 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC001594221271 959375764 /nfs/dbraw/zinc/37/57/64/959375764.db2.gz PNMLTCFWNCTORU-HZPDHXFCSA-N 0 1 392.496 3.246 20 0 GGADMN C[N@H+](CCOc1ccccc1C(=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000183922788 959455723 /nfs/dbraw/zinc/45/57/23/959455723.db2.gz RJPRDSAWAQJKEY-QGZVFWFLSA-N 0 1 388.851 3.154 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000183922788 959455732 /nfs/dbraw/zinc/45/57/32/959455732.db2.gz RJPRDSAWAQJKEY-QGZVFWFLSA-N 0 1 388.851 3.154 20 0 GGADMN Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594471984 959573616 /nfs/dbraw/zinc/57/36/16/959573616.db2.gz WOHANJWAJWGUQI-UHFFFAOYSA-N 0 1 395.257 3.206 20 0 GGADMN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)CC[N@H+]1C ZINC001594246872 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ODIKNCJZRKGCRS-MRXNPFEDSA-N 0 1 394.512 3.238 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001588871315 962088942 /nfs/dbraw/zinc/08/89/42/962088942.db2.gz ZRAMOVRAESPOKR-QUCCMNQESA-N 0 1 385.439 3.410 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001340461088 962093871 /nfs/dbraw/zinc/09/38/71/962093871.db2.gz GWHOGSYJFFJZPE-BSIFCXSSSA-N 0 1 393.487 3.216 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1c(C(=O)[O-])cnn1C ZINC001588874644 962105189 /nfs/dbraw/zinc/10/51/89/962105189.db2.gz UGFIKHDHCUWDQH-FQEVSTJZSA-N 0 1 398.551 3.283 20 0 GGADMN COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001574046391 962110855 /nfs/dbraw/zinc/11/08/55/962110855.db2.gz JLLUBWAHVGJHQE-CQSZACIVSA-N 0 1 384.270 3.240 20 0 GGADMN COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001574046391 962110858 /nfs/dbraw/zinc/11/08/58/962110858.db2.gz JLLUBWAHVGJHQE-CQSZACIVSA-N 0 1 384.270 3.240 20 0 GGADMN CC(C)(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[O-] ZINC001341258802 962122804 /nfs/dbraw/zinc/12/28/04/962122804.db2.gz VQRSINSBHSBVBY-YQQQUEKLSA-N 0 1 387.524 3.372 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000263031810 962146695 /nfs/dbraw/zinc/14/66/95/962146695.db2.gz BJINNSNWHPXJPS-CZUORRHYSA-N 0 1 384.398 3.388 20 0 GGADMN CC[C@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC001343020950 962153062 /nfs/dbraw/zinc/15/30/62/962153062.db2.gz LMGYLXIVLNDSBA-YLJYHZDGSA-N 0 1 387.524 3.110 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001574608840 962195042 /nfs/dbraw/zinc/19/50/42/962195042.db2.gz VKQCHXUBLADIGJ-LSTHTHJFSA-N 0 1 394.475 3.202 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263088130 962236058 /nfs/dbraw/zinc/23/60/58/962236058.db2.gz IPLIOKVBJIMRQG-XLIONFOSSA-N 0 1 388.508 3.326 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109881 962261707 /nfs/dbraw/zinc/26/17/07/962261707.db2.gz KYXDSAXUGWNAJJ-WMLDXEAASA-N 0 1 396.434 3.360 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000263109880 962261938 /nfs/dbraw/zinc/26/19/38/962261938.db2.gz KYXDSAXUGWNAJJ-RHSMWYFYSA-N 0 1 396.434 3.360 20 0 GGADMN CC(C)(CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC001345744630 962275339 /nfs/dbraw/zinc/27/53/39/962275339.db2.gz AFFSJGXHUONNMA-SFHVURJKSA-N 0 1 386.414 3.201 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263121852 962275267 /nfs/dbraw/zinc/27/52/67/962275267.db2.gz MDNBFUGBSXQRSO-FUHWJXTLSA-N 0 1 376.497 3.229 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c2ncccc12 ZINC001574087476 962336625 /nfs/dbraw/zinc/33/66/25/962336625.db2.gz SOSPOVOIMMZBJT-FQEVSTJZSA-N 0 1 376.412 3.205 20 0 GGADMN CC(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001346299762 962337133 /nfs/dbraw/zinc/33/71/33/962337133.db2.gz CISFWMOMXCVHCB-HSZRJFAPSA-N 0 1 394.471 3.047 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Cc2cccc(C3CC3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001346289435 962339023 /nfs/dbraw/zinc/33/90/23/962339023.db2.gz WIIBHILREVARLM-DEOSSOPVSA-N 0 1 392.499 3.342 20 0 GGADMN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263197545 962353793 /nfs/dbraw/zinc/35/37/93/962353793.db2.gz WRWBBKPDULPDIP-JKSUJKDBSA-N 0 1 396.915 3.143 20 0 GGADMN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263197542 962354006 /nfs/dbraw/zinc/35/40/06/962354006.db2.gz WRWBBKPDULPDIP-HOTGVXAUSA-N 0 1 396.915 3.143 20 0 GGADMN Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001346382642 962367888 /nfs/dbraw/zinc/36/78/88/962367888.db2.gz BLLDPVCFULSYNP-UYAOXDASSA-N 0 1 395.503 3.299 20 0 GGADMN C/C(=C\c1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001347496174 962388847 /nfs/dbraw/zinc/38/88/47/962388847.db2.gz PKQVDOKSXODCCH-AKXFXYSNSA-N 0 1 396.462 3.465 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001588922689 962406180 /nfs/dbraw/zinc/40/61/80/962406180.db2.gz XYMIXMSRGYLEEY-KRWDZBQOSA-N 0 1 387.524 3.394 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C)(C(=O)[O-])CC2)C1 ZINC001588923090 962409909 /nfs/dbraw/zinc/40/99/09/962409909.db2.gz CBPHUIJBMQXZPM-UHFFFAOYSA-N 0 1 397.519 3.121 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)C1 ZINC001588923214 962412238 /nfs/dbraw/zinc/41/22/38/962412238.db2.gz LKOIDCYPZLLTHH-SJORKVTESA-N 0 1 397.519 3.120 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CC[C@H](O)C[C@@H]3c3ccccc3)o2)C1 ZINC001574651729 962437391 /nfs/dbraw/zinc/43/73/91/962437391.db2.gz HFDBKPFDLNXTEK-WSTZPKSXSA-N 0 1 384.476 3.279 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000263309279 962452253 /nfs/dbraw/zinc/45/22/53/962452253.db2.gz YHRRHOAAFOHUNM-ZWKOTPCHSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000263309279 962452262 /nfs/dbraw/zinc/45/22/62/962452262.db2.gz YHRRHOAAFOHUNM-ZWKOTPCHSA-N 0 1 387.867 3.283 20 0 GGADMN O=C([O-])C1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000263328094 962472294 /nfs/dbraw/zinc/47/22/94/962472294.db2.gz LDYKBJXZIXINBP-HDYDNRTBSA-N 0 1 387.524 3.231 20 0 GGADMN CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001574120022 962489798 /nfs/dbraw/zinc/48/97/98/962489798.db2.gz MNHWKOQYDUREBG-CXAGYDPISA-N 0 1 390.402 3.124 20 0 GGADMN CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001574120022 962489808 /nfs/dbraw/zinc/48/98/08/962489808.db2.gz MNHWKOQYDUREBG-CXAGYDPISA-N 0 1 390.402 3.124 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001349931061 962493480 /nfs/dbraw/zinc/49/34/80/962493480.db2.gz DFLRPPZOJWVUKO-APWZRJJASA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001349931061 962493489 /nfs/dbraw/zinc/49/34/89/962493489.db2.gz DFLRPPZOJWVUKO-APWZRJJASA-N 0 1 376.472 3.284 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)C1 ZINC001574132883 962547709 /nfs/dbraw/zinc/54/77/09/962547709.db2.gz CKJSQYKRFZHURP-SPLOXXLWSA-N 0 1 381.432 3.374 20 0 GGADMN CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)c1 ZINC001350666160 962565305 /nfs/dbraw/zinc/56/53/05/962565305.db2.gz DZQGILDOCXVFNL-UHFFFAOYSA-N 0 1 376.497 3.061 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263422818 962593890 /nfs/dbraw/zinc/59/38/90/962593890.db2.gz XFOVJVVZAJCZLX-ACBHZAAOSA-N 0 1 387.524 3.230 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000263424875 962598430 /nfs/dbraw/zinc/59/84/30/962598430.db2.gz LYSGVHRJWUVYLJ-WOJBJXKFSA-N 0 1 380.444 3.101 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263433859 962611680 /nfs/dbraw/zinc/61/16/80/962611680.db2.gz ZLERYXVAVDBBAS-FQEVSTJZSA-N 0 1 395.503 3.485 20 0 GGADMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263444619 962627175 /nfs/dbraw/zinc/62/71/75/962627175.db2.gz FPFXJRAQBZICPD-GOSISDBHSA-N 0 1 399.443 3.065 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000263445107 962629627 /nfs/dbraw/zinc/62/96/27/962629627.db2.gz XPGOGNWKSPTSGF-UHFFFAOYSA-N 0 1 390.439 3.203 20 0 GGADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000263452353 962639560 /nfs/dbraw/zinc/63/95/60/962639560.db2.gz AFXXVJVCBFPFEX-UHFFFAOYSA-N 0 1 380.080 3.089 20 0 GGADMN COc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000263454085 962641375 /nfs/dbraw/zinc/64/13/75/962641375.db2.gz AJOVRUWGRSBTCL-MRVPVSSYSA-N 0 1 395.091 3.373 20 0 GGADMN CCC[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000263462701 962650977 /nfs/dbraw/zinc/65/09/77/962650977.db2.gz JGIPAJLZFKDDGZ-MHJFOBGBSA-N 0 1 387.524 3.326 20 0 GGADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263482612 962669313 /nfs/dbraw/zinc/66/93/13/962669313.db2.gz OJABIZUTIVTWOH-INIZCTEOSA-N 0 1 392.459 3.314 20 0 GGADMN CC(C)[N@H+](CC(=O)[O-])CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000263558761 962727796 /nfs/dbraw/zinc/72/77/96/962727796.db2.gz ALAPSKVIIXBSOC-IBGZPJMESA-N 0 1 393.487 3.211 20 0 GGADMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000263558761 962727803 /nfs/dbraw/zinc/72/78/03/962727803.db2.gz ALAPSKVIIXBSOC-IBGZPJMESA-N 0 1 393.487 3.211 20 0 GGADMN C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263559190 962727996 /nfs/dbraw/zinc/72/79/96/962727996.db2.gz 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IRHPUSNPUXLERA-NEPJUHHUSA-N 0 1 398.326 3.243 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)cn1 ZINC001605489620 973634324 /nfs/dbraw/zinc/63/43/24/973634324.db2.gz UHBYTCQIPXWPGT-CVEARBPZSA-N 0 1 381.398 3.215 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1 ZINC001604584092 973675286 /nfs/dbraw/zinc/67/52/86/973675286.db2.gz LGVPRPDYUFKOHE-UHFFFAOYSA-N 0 1 382.545 3.009 20 0 GGADMN CC[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001603566759 973692230 /nfs/dbraw/zinc/69/22/30/973692230.db2.gz BTRCJJMGHSVSBG-ZILOHOTNSA-N 0 1 394.515 3.303 20 0 GGADMN CN(Cc1ccccc1C[NH2+]Cc1ncc(C(=O)[O-])s1)C(=O)OC(C)(C)C ZINC000404570057 973734216 /nfs/dbraw/zinc/73/42/16/973734216.db2.gz HFEYYJRDIJBAQB-UHFFFAOYSA-N 0 1 391.493 3.498 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405187299 973773750 /nfs/dbraw/zinc/77/37/50/973773750.db2.gz MFAPUAYYVXIPQX-IPMKNSEASA-N 0 1 375.513 3.086 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1ccc(F)cc1I)c1ccccc1 ZINC001606362556 973822292 /nfs/dbraw/zinc/82/22/92/973822292.db2.gz OSKFPMVAMOGJAI-AWEZNQCLSA-N 0 1 385.176 3.346 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001606401377 973857241 /nfs/dbraw/zinc/85/72/41/973857241.db2.gz NVUKUWYGFCXPFG-BRWVUGGUSA-N 0 1 398.425 3.010 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001606434975 973884882 /nfs/dbraw/zinc/88/48/82/973884882.db2.gz KRRZMFQHJNHBHC-GBESFXJTSA-N 0 1 393.405 3.409 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000414640829 973944915 /nfs/dbraw/zinc/94/49/15/973944915.db2.gz SEYKWZABVFQMRC-OAQYLSRUSA-N 0 1 380.488 3.488 20 0 GGADMN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000414677238 973948397 /nfs/dbraw/zinc/94/83/97/973948397.db2.gz IDHHYMPWWCFGLG-OAHLLOKOSA-N 0 1 395.459 3.461 20 0 GGADMN 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O=C([O-])c1ccccc1OCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001606528698 974039060 /nfs/dbraw/zinc/03/90/60/974039060.db2.gz GKIIAUWFVCZTKR-UXHICEINSA-N 0 1 380.488 3.218 20 0 GGADMN O=C([O-])c1ccccc1OCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001606528698 974039071 /nfs/dbraw/zinc/03/90/71/974039071.db2.gz GKIIAUWFVCZTKR-UXHICEINSA-N 0 1 380.488 3.218 20 0 GGADMN O=C([O-])c1ccccc1OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001606528698 974039076 /nfs/dbraw/zinc/03/90/76/974039076.db2.gz GKIIAUWFVCZTKR-UXHICEINSA-N 0 1 380.488 3.218 20 0 GGADMN COc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC001604806419 974044336 /nfs/dbraw/zinc/04/43/36/974044336.db2.gz PPXNPGGHEBCKHY-IBGZPJMESA-N 0 1 389.477 3.133 20 0 GGADMN COc1ccc(N(C(C)=O)c2nc(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC001604806419 974044351 /nfs/dbraw/zinc/04/43/51/974044351.db2.gz PPXNPGGHEBCKHY-IBGZPJMESA-N 0 1 389.477 3.133 20 0 GGADMN CCC[N@H+](CCN1CCCCC1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 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JYBCIIHSFWUGSF-MRXNPFEDSA-N 0 1 383.366 3.275 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000652470869 975545034 /nfs/dbraw/zinc/54/50/34/975545034.db2.gz MAUFPTVQJUJJTD-BWAGFHJFSA-N 0 1 381.472 3.126 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000652486216 975552347 /nfs/dbraw/zinc/55/23/47/975552347.db2.gz VFHASOJZXMSKCJ-OAHLLOKOSA-N 0 1 396.270 3.490 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1OC ZINC000652497507 975559288 /nfs/dbraw/zinc/55/92/88/975559288.db2.gz XGVSZZVMXYKESF-SWLSCSKDSA-N 0 1 376.478 3.370 20 0 GGADMN Cn1c(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000652500200 975564082 /nfs/dbraw/zinc/56/40/82/975564082.db2.gz DQGZKZXUGCUCDS-OAQYLSRUSA-N 0 1 396.878 3.364 20 0 GGADMN C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(OC)c1 ZINC000652500237 975564889 /nfs/dbraw/zinc/56/48/89/975564889.db2.gz HMEBRBKIBVVDBU-JORFTBQQSA-N 0 1 391.508 3.291 20 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CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001591711270 975592506 /nfs/dbraw/zinc/59/25/06/975592506.db2.gz JMGFSRYZJDIKPH-QGZVFWFLSA-N 0 1 380.485 3.021 20 0 GGADMN CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000656180161 975641511 /nfs/dbraw/zinc/64/15/11/975641511.db2.gz HBYFMSJIOKKKJF-UHFFFAOYSA-N 0 1 396.534 3.094 20 0 GGADMN Cc1cnc(OC2CC[NH+]([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)nc1 ZINC000656190602 975642971 /nfs/dbraw/zinc/64/29/71/975642971.db2.gz AYKNCXHOIYJNOR-INIZCTEOSA-N 0 1 379.819 3.247 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)nn1 ZINC000656190698 975643764 /nfs/dbraw/zinc/64/37/64/975643764.db2.gz CXERPNOMPIUAEF-LJQANCHMSA-N 0 1 392.459 3.392 20 0 GGADMN CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC001591724790 975674097 /nfs/dbraw/zinc/67/40/97/975674097.db2.gz LCRJOJNFYXIUCY-UHFFFAOYSA-N 0 1 385.464 3.113 20 0 GGADMN Cc1cc([C@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)oc1C(=O)[O-] 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/nfs/dbraw/zinc/79/38/47/975793847.db2.gz QGHATXNQFOAOHP-HNNXBMFYSA-N 0 1 375.469 3.310 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(OCC(=O)[O-])cc3)cc2)C1 ZINC000659753378 975862006 /nfs/dbraw/zinc/86/20/06/975862006.db2.gz ISNBPXNAPBWNDS-KRWDZBQOSA-N 0 1 396.487 3.312 20 0 GGADMN CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659753464 975862570 /nfs/dbraw/zinc/86/25/70/975862570.db2.gz LQHSVNSJXXGNSM-YLJYHZDGSA-N 0 1 396.487 3.448 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000659756396 975865753 /nfs/dbraw/zinc/86/57/53/975865753.db2.gz DZBWCVYKCLXYTG-YLJYHZDGSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000659763920 975870021 /nfs/dbraw/zinc/87/00/21/975870021.db2.gz MPTXGWXQVMLUCA-FGTMMUONSA-N 0 1 396.487 3.274 20 0 GGADMN O=C([O-])c1ccccc1CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000659793091 975880281 /nfs/dbraw/zinc/88/02/81/975880281.db2.gz ILQFWCMBNFVEIT-UHFFFAOYSA-N 0 1 376.460 3.420 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ncnn2-c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000659796954 975886359 /nfs/dbraw/zinc/88/63/59/975886359.db2.gz FIRHFLXDGFKJBS-ZWKOTPCHSA-N 0 1 382.851 3.221 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221231 975902139 /nfs/dbraw/zinc/90/21/39/975902139.db2.gz CVHDWNFFQUKUQK-PKOBYXMFSA-N 0 1 382.435 3.314 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221231 975902152 /nfs/dbraw/zinc/90/21/52/975902152.db2.gz CVHDWNFFQUKUQK-PKOBYXMFSA-N 0 1 382.435 3.314 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000662222798 975904304 /nfs/dbraw/zinc/90/43/04/975904304.db2.gz PMKCIBRYRLIXNB-INIZCTEOSA-N 0 1 378.350 3.328 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000662222798 975904310 /nfs/dbraw/zinc/90/43/10/975904310.db2.gz PMKCIBRYRLIXNB-INIZCTEOSA-N 0 1 378.350 3.328 20 0 GGADMN CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000662224563 975905758 /nfs/dbraw/zinc/90/57/58/975905758.db2.gz SZIWQVUIZRNYRF-NRFANRHFSA-N 0 1 394.515 3.327 20 0 GGADMN CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000662224563 975905766 /nfs/dbraw/zinc/90/57/66/975905766.db2.gz SZIWQVUIZRNYRF-NRFANRHFSA-N 0 1 394.515 3.327 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132024 975930269 /nfs/dbraw/zinc/93/02/69/975930269.db2.gz HRBMKDHCTQEZTA-RTWAWAEBSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132024 975930276 /nfs/dbraw/zinc/93/02/76/975930276.db2.gz HRBMKDHCTQEZTA-RTWAWAEBSA-N 0 1 396.462 3.391 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000666543355 975969363 /nfs/dbraw/zinc/96/93/63/975969363.db2.gz XDYDMONDWLWGAO-FQEVSTJZSA-N 0 1 381.476 3.095 20 0 GGADMN O=C([O-])CCCCNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000666557680 975971654 /nfs/dbraw/zinc/97/16/54/975971654.db2.gz SABJUQFZRFSCFA-UHFFFAOYSA-N 0 1 393.487 3.339 20 0 GGADMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000666580525 975974467 /nfs/dbraw/zinc/97/44/67/975974467.db2.gz LRLABUNZDPPGEU-FQEVSTJZSA-N 0 1 377.444 3.133 20 0 GGADMN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000666580525 975974476 /nfs/dbraw/zinc/97/44/76/975974476.db2.gz LRLABUNZDPPGEU-FQEVSTJZSA-N 0 1 377.444 3.133 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000666580519 975975379 /nfs/dbraw/zinc/97/53/79/975975379.db2.gz LIEQIUKXHMJXLR-FQEVSTJZSA-N 0 1 395.434 3.272 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000666580519 975975384 /nfs/dbraw/zinc/97/53/84/975975384.db2.gz LIEQIUKXHMJXLR-FQEVSTJZSA-N 0 1 395.434 3.272 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC001591797055 976011436 /nfs/dbraw/zinc/01/14/36/976011436.db2.gz VOZMRQFNJORDMS-HSALFYBXSA-N 0 1 388.508 3.055 20 0 GGADMN CCCC[C@@H](NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000680362663 976053333 /nfs/dbraw/zinc/05/33/33/976053333.db2.gz KOVSIBPRTCWJKW-SJLPKXTDSA-N 0 1 376.497 3.313 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cc(F)ccc1F ZINC000683173680 976079120 /nfs/dbraw/zinc/07/91/20/976079120.db2.gz OBGMWVQPILHQLK-SFHVURJKSA-N 0 1 375.350 3.264 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccc(Br)cc1)C(C)(C)C)C(=O)[O-] ZINC001591866189 976167178 /nfs/dbraw/zinc/16/71/78/976167178.db2.gz BKQQZPAQABSLRM-INIZCTEOSA-N 0 1 399.329 3.275 20 0 GGADMN CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591910287 976315106 /nfs/dbraw/zinc/31/51/06/976315106.db2.gz BAKBTINETJSUCE-SINXNMPMSA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591910287 976315114 /nfs/dbraw/zinc/31/51/14/976315114.db2.gz BAKBTINETJSUCE-SINXNMPMSA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)c1[nH]c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1C(=O)[O-] ZINC001591912423 976346248 /nfs/dbraw/zinc/34/62/48/976346248.db2.gz MQLJVLQOQJBNBD-UHFFFAOYSA-N 0 1 375.513 3.451 20 0 GGADMN CC(C)c1[nH]c(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1C(=O)[O-] ZINC001591912423 976346259 /nfs/dbraw/zinc/34/62/59/976346259.db2.gz MQLJVLQOQJBNBD-UHFFFAOYSA-N 0 1 375.513 3.451 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692508896 976516635 /nfs/dbraw/zinc/51/66/35/976516635.db2.gz PDOODFFSGWVROD-UHFFFAOYSA-N 0 1 380.897 3.337 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001591986480 976608372 /nfs/dbraw/zinc/60/83/72/976608372.db2.gz FZXYAQFQSNPXIX-NRFANRHFSA-N 0 1 386.496 3.202 20 0 GGADMN CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001591995390 976640464 /nfs/dbraw/zinc/64/04/64/976640464.db2.gz VIXNRNTWHJKDLC-RBUKOAKNSA-N 0 1 382.460 3.254 20 0 GGADMN CC(C)c1[nH+]ccn1CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC001592037589 976757266 /nfs/dbraw/zinc/75/72/66/976757266.db2.gz URGBWGPOLKADHD-OAHLLOKOSA-N 0 1 396.447 3.483 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c1 ZINC001592039463 976760944 /nfs/dbraw/zinc/76/09/44/976760944.db2.gz JLJMSPJAMXQTSR-ZWKOTPCHSA-N 0 1 385.464 3.406 20 0 GGADMN CC(C)c1ocnc1C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001592108150 976891047 /nfs/dbraw/zinc/89/10/47/976891047.db2.gz LPLIXADQIXWLOG-DMAKZNTKSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)c1ocnc1C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001592108150 976891052 /nfs/dbraw/zinc/89/10/52/976891052.db2.gz LPLIXADQIXWLOG-DMAKZNTKSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)n1cc(C2=CCC[N@@H+](Cn3nc(C(=O)[O-])c4ccccc43)CC2)nn1 ZINC001592126625 976945988 /nfs/dbraw/zinc/94/59/88/976945988.db2.gz XHJXZWWAOSQTPV-UHFFFAOYSA-N 0 1 380.452 3.044 20 0 GGADMN C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001592193014 977149591 /nfs/dbraw/zinc/14/95/91/977149591.db2.gz HUOYYDMFWLQZHK-FKUVOPGZSA-N 0 1 384.451 3.172 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2ccsc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000704771789 977254863 /nfs/dbraw/zinc/25/48/63/977254863.db2.gz MMJKKTQABWZRKO-GOSISDBHSA-N 0 1 386.517 3.358 20 0 GGADMN CC(C)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC001592266984 977510287 /nfs/dbraw/zinc/51/02/87/977510287.db2.gz AFNRDDPODUOSOM-YVEFUNNKSA-N 0 1 386.452 3.349 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001592268383 977523106 /nfs/dbraw/zinc/52/31/06/977523106.db2.gz LHMLRMUWDIGVIT-UZLBHIALSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC001592268383 977523108 /nfs/dbraw/zinc/52/31/08/977523108.db2.gz LHMLRMUWDIGVIT-UZLBHIALSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001592269938 977532358 /nfs/dbraw/zinc/53/23/58/977532358.db2.gz UXEIZBPJWWZIAM-SCWSEQNSSA-N 0 1 395.503 3.037 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]Cc1ncccc1Br ZINC001592274052 977546275 /nfs/dbraw/zinc/54/62/75/977546275.db2.gz JPFZSMZRPHNOIZ-NSHDSACASA-N 0 1 392.253 3.049 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]Cc1ncccc1Br ZINC001592274051 977546402 /nfs/dbraw/zinc/54/64/02/977546402.db2.gz JPFZSMZRPHNOIZ-LLVKDONJSA-N 0 1 392.253 3.049 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c1ccccn1)c1cccs1 ZINC001592322053 977724379 /nfs/dbraw/zinc/72/43/79/977724379.db2.gz OLOXNEIXUGMAMD-ICSRJNTNSA-N 0 1 389.521 3.326 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccccn1 ZINC001592322161 977725311 /nfs/dbraw/zinc/72/53/11/977725311.db2.gz PYXLRYOOUBDLII-DHIUTWEWSA-N 0 1 395.503 3.409 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccccn1 ZINC001592322880 977731087 /nfs/dbraw/zinc/73/10/87/977731087.db2.gz QTEYHKNAJJCNKB-GOSISDBHSA-N 0 1 395.431 3.315 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccccn1 ZINC001592330765 977770311 /nfs/dbraw/zinc/77/03/11/977770311.db2.gz YFYGMAFEVMHPAZ-QGZVFWFLSA-N 0 1 389.253 3.200 20 0 GGADMN C[C@H](CC(=O)[O-])CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001592375654 977912119 /nfs/dbraw/zinc/91/21/19/977912119.db2.gz PBDWUUOHLKMOQO-AWEZNQCLSA-N 0 1 386.414 3.241 20 0 GGADMN C[C@@H](CC(=O)[O-])CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001592385037 977924428 /nfs/dbraw/zinc/92/44/28/977924428.db2.gz AEBNXULJSGQLCX-CYBMUJFWSA-N 0 1 386.414 3.287 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001592409314 977994738 /nfs/dbraw/zinc/99/47/38/977994738.db2.gz POOHABUWSLUADC-LBPRGKRZSA-N 0 1 398.475 3.088 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)CSc2ccc3c4c(cccc42)CC3)CC1 ZINC001592410890 978007383 /nfs/dbraw/zinc/00/73/83/978007383.db2.gz XLYDXYAODWLXCN-HNNXBMFYSA-N 0 1 398.528 3.038 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720895747 978078507 /nfs/dbraw/zinc/07/85/07/978078507.db2.gz CCURJMHYBSNPFD-YESZJQIVSA-N 0 1 375.513 3.180 20 0 GGADMN C[C@@H](CCNC(=O)NCCc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC001592512641 978337228 /nfs/dbraw/zinc/33/72/28/978337228.db2.gz AQFVDCBLDAQJNU-KRWDZBQOSA-N 0 1 383.492 3.137 20 0 GGADMN C[C@H](CCNC(=O)NCCc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC001592512642 978337259 /nfs/dbraw/zinc/33/72/59/978337259.db2.gz AQFVDCBLDAQJNU-QGZVFWFLSA-N 0 1 383.492 3.137 20 0 GGADMN C[C@H](CCc1ccccc1)[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001592540447 978423535 /nfs/dbraw/zinc/42/35/35/978423535.db2.gz JLLISCPBMTZXQE-AEFFLSMTSA-N 0 1 388.508 3.261 20 0 GGADMN C[C@@H](CCc1ccccc1)[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001592540448 978423697 /nfs/dbraw/zinc/42/36/97/978423697.db2.gz JLLISCPBMTZXQE-FUHWJXTLSA-N 0 1 388.508 3.261 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)C1 ZINC001592556446 978444042 /nfs/dbraw/zinc/44/40/42/978444042.db2.gz VKEYRLRHYDXRAU-INIZCTEOSA-N 0 1 397.519 3.120 20 0 GGADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C ZINC001592578688 978485398 /nfs/dbraw/zinc/48/53/98/978485398.db2.gz AUAOSXSKHVIVAN-YMTOWFKASA-N 0 1 376.375 3.075 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592584991 978505863 /nfs/dbraw/zinc/50/58/63/978505863.db2.gz WGIOSZVFFWBPFV-LBPRGKRZSA-N 0 1 393.459 3.361 20 0 GGADMN C[C@@H](C[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)c1ccc(F)cc1 ZINC001592611261 978567031 /nfs/dbraw/zinc/56/70/31/978567031.db2.gz MVBMPJLCWQSLMQ-YOEHRIQHSA-N 0 1 392.471 3.183 20 0 GGADMN C[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@@H+]1CCc2sccc2C1 ZINC001592640643 978620623 /nfs/dbraw/zinc/62/06/23/978620623.db2.gz LHAXPXNHKAELDD-WPUWVODUSA-N 0 1 376.522 3.036 20 0 GGADMN C[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@H+]1CCc2sccc2C1 ZINC001592640643 978620627 /nfs/dbraw/zinc/62/06/27/978620627.db2.gz LHAXPXNHKAELDD-WPUWVODUSA-N 0 1 376.522 3.036 20 0 GGADMN C[C@H](CNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1)[N@@H+](C)C1CC1 ZINC001592659922 978643142 /nfs/dbraw/zinc/64/31/42/978643142.db2.gz JWAPJHQETXTUHD-CQSZACIVSA-N 0 1 398.507 3.238 20 0 GGADMN O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569109 978645789 /nfs/dbraw/zinc/64/57/89/978645789.db2.gz VBYKGASKCHPEIT-SJORKVTESA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569109 978645791 /nfs/dbraw/zinc/64/57/91/978645791.db2.gz VBYKGASKCHPEIT-SJORKVTESA-N 0 1 378.900 3.265 20 0 GGADMN CCC[C@]1(C)CCC[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000829238567 978996130 /nfs/dbraw/zinc/99/61/30/978996130.db2.gz WYBJLHIFCZIKHJ-SIKLNZKXSA-N 0 1 385.508 3.182 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000829458236 978999776 /nfs/dbraw/zinc/99/97/76/978999776.db2.gz LNIYHNPMGONRPQ-HNNXBMFYSA-N 0 1 377.485 3.368 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832842713 979049262 /nfs/dbraw/zinc/04/92/62/979049262.db2.gz COMHXHCJLDGEKN-OALUTQOASA-N 0 1 395.503 3.456 20 0 GGADMN Cc1ccccc1[C@H](O)C[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000832981235 979063903 /nfs/dbraw/zinc/06/39/03/979063903.db2.gz DBHWWHMXVOCYLJ-WOJBJXKFSA-N 0 1 388.895 3.125 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001595017537 979080479 /nfs/dbraw/zinc/08/04/79/979080479.db2.gz HNSPBJNUJIGKBT-XYJFISCASA-N 0 1 389.544 3.110 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001595017675 979082231 /nfs/dbraw/zinc/08/22/31/979082231.db2.gz JPSPQQHTFUTIIO-XSLAGTTESA-N 0 1 391.560 3.213 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001595017691 979082399 /nfs/dbraw/zinc/08/23/99/979082399.db2.gz JSZMPFSBNCQSRP-YESZJQIVSA-N 0 1 391.560 3.213 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001595017833 979084208 /nfs/dbraw/zinc/08/42/08/979084208.db2.gz LYHWDXVQAOJQBI-RCCFBDPRSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[N@@H+](C)Cc1ccccc1 ZINC001592674302 979085129 /nfs/dbraw/zinc/08/51/29/979085129.db2.gz GQVKBXPRDBDSTL-GFCCVEGCSA-N 0 1 376.844 3.075 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001595017922 979086353 /nfs/dbraw/zinc/08/63/53/979086353.db2.gz NDWIFBPBSKIWNJ-JENIJYKNSA-N 0 1 399.539 3.223 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001595017923 979086623 /nfs/dbraw/zinc/08/66/23/979086623.db2.gz NDWIFBPBSKIWNJ-LNLFQRSKSA-N 0 1 399.539 3.223 20 0 GGADMN CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001595018255 979089422 /nfs/dbraw/zinc/08/94/22/979089422.db2.gz QKVKSBURABBLFN-CRAIPNDOSA-N 0 1 389.544 3.110 20 0 GGADMN CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001595018259 979089577 /nfs/dbraw/zinc/08/95/77/979089577.db2.gz QKVKSBURABBLFN-QAPCUYQASA-N 0 1 389.544 3.110 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001595018375 979090314 /nfs/dbraw/zinc/09/03/14/979090314.db2.gz RGKZTUUZMUILPM-OKZBNKHCSA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001595018373 979090467 /nfs/dbraw/zinc/09/04/67/979090467.db2.gz RGKZTUUZMUILPM-BZSNNMDCSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC001592682456 979103164 /nfs/dbraw/zinc/10/31/64/979103164.db2.gz KXTVGASONLOCDJ-INIZCTEOSA-N 0 1 397.475 3.108 20 0 GGADMN O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000833172395 979107859 /nfs/dbraw/zinc/10/78/59/979107859.db2.gz URKVEJPMQWZRDL-QGZVFWFLSA-N 0 1 387.307 3.163 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682989 979108404 /nfs/dbraw/zinc/10/84/04/979108404.db2.gz JZMLBTXKMDSJRU-RWMBFGLXSA-N 0 1 391.493 3.219 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682989 979108407 /nfs/dbraw/zinc/10/84/07/979108407.db2.gz JZMLBTXKMDSJRU-RWMBFGLXSA-N 0 1 391.493 3.219 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)Oc1ccc(Br)cc1 ZINC001592710514 979196963 /nfs/dbraw/zinc/19/69/63/979196963.db2.gz SHNOGVAINWENEE-AWEZNQCLSA-N 0 1 399.329 3.135 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2)C[C@@H](C)O1 ZINC000841771910 979308163 /nfs/dbraw/zinc/30/81/63/979308163.db2.gz ZYASEOAEPHWBNR-HZPDHXFCSA-N 0 1 394.471 3.197 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000842668077 979323966 /nfs/dbraw/zinc/32/39/66/979323966.db2.gz KOBHJOOJMPFFJZ-ATNYBXOESA-N 0 1 396.890 3.479 20 0 GGADMN C[C@@](CO)([NH2+]Cc1ccc(/C=C\C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001592751550 979325990 /nfs/dbraw/zinc/32/59/90/979325990.db2.gz YSQNZAMTNGSYCL-JJEJIETFSA-N 0 1 380.238 3.137 20 0 GGADMN C[C@](CO)([NH2+]Cc1nc2cc(C(=O)[O-])ccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC001592751565 979326168 /nfs/dbraw/zinc/32/61/68/979326168.db2.gz ZDKQDJIINZWELX-GOSISDBHSA-N 0 1 393.365 3.277 20 0 GGADMN C[C@@](CO)([NH2+]Cc1nc2cc(C(=O)[O-])ccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC001592751566 979326253 /nfs/dbraw/zinc/32/62/53/979326253.db2.gz ZDKQDJIINZWELX-SFHVURJKSA-N 0 1 393.365 3.277 20 0 GGADMN CCC(CC)(COCc1ccccc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001595092858 979387050 /nfs/dbraw/zinc/38/70/50/979387050.db2.gz IXBGELINUQJRGR-SFHVURJKSA-N 0 1 390.524 3.017 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)Cc1ccccc1 ZINC000846128902 979411675 /nfs/dbraw/zinc/41/16/75/979411675.db2.gz SPRAEVLPNFPACF-OAQYLSRUSA-N 0 1 375.513 3.185 20 0 GGADMN Cc1oc(C[N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000846262370 979431335 /nfs/dbraw/zinc/43/13/35/979431335.db2.gz YOVVDOCVYIPFBL-OAHLLOKOSA-N 0 1 386.217 3.353 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC[C@H](O)c1ccccc1)CC2 ZINC000846262154 979431877 /nfs/dbraw/zinc/43/18/77/979431877.db2.gz VVRZCPDOYJHNOP-OALUTQOASA-N 0 1 385.460 3.201 20 0 GGADMN COc1cc(C[N@@H+](CC(=O)[O-])C[C@H](O)c2cccc3ccccc32)cc(OC)c1 ZINC000846269339 979435146 /nfs/dbraw/zinc/43/51/46/979435146.db2.gz XHUPSDSJFPKJOD-QFIPXVFZSA-N 0 1 395.455 3.477 20 0 GGADMN COc1cc(C[N@H+](CC(=O)[O-])C[C@H](O)c2cccc3ccccc32)cc(OC)c1 ZINC000846269339 979435149 /nfs/dbraw/zinc/43/51/49/979435149.db2.gz XHUPSDSJFPKJOD-QFIPXVFZSA-N 0 1 395.455 3.477 20 0 GGADMN Cc1nn(C)c2ncc(C[N@@H+](CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)cc12 ZINC000846267935 979435576 /nfs/dbraw/zinc/43/55/76/979435576.db2.gz DBBCTMOTRZMNRJ-UHFFFAOYSA-N 0 1 392.381 3.382 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-])[NH+]1CCOCC1 ZINC001595106840 979435875 /nfs/dbraw/zinc/43/58/75/979435875.db2.gz XQYXGOAOLRBCQE-OAHLLOKOSA-N 0 1 397.541 3.322 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000846273221 979438533 /nfs/dbraw/zinc/43/85/33/979438533.db2.gz DMKFLDQEQKXPRH-KRWDZBQOSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000846273221 979438539 /nfs/dbraw/zinc/43/85/39/979438539.db2.gz DMKFLDQEQKXPRH-KRWDZBQOSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000846275127 979441298 /nfs/dbraw/zinc/44/12/98/979441298.db2.gz DDRYSHHYTJHEAZ-SFHVURJKSA-N 0 1 388.261 3.491 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc2c(c1)COC2 ZINC000846275127 979441305 /nfs/dbraw/zinc/44/13/05/979441305.db2.gz DDRYSHHYTJHEAZ-SFHVURJKSA-N 0 1 388.261 3.491 20 0 GGADMN O=C([O-])c1cccc2c1C[N@@H+](C[C@H](O)c1ccccc1Br)CC2 ZINC000846275882 979442809 /nfs/dbraw/zinc/44/28/09/979442809.db2.gz LYCCOVHZIUTIGD-KRWDZBQOSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000846280262 979448244 /nfs/dbraw/zinc/44/82/44/979448244.db2.gz JOBYOCYLRHAPMU-IEBWSBKVSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](CCCCOc3cccc(C(F)(F)F)c3)C[C@H]1COCC2 ZINC000846281616 979452918 /nfs/dbraw/zinc/45/29/18/979452918.db2.gz GSQYLVBKVXRDHV-MAUKXSAKSA-N 0 1 387.398 3.288 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)nn1 ZINC000846285979 979457198 /nfs/dbraw/zinc/45/71/98/979457198.db2.gz QYLNSYPBZHUESB-GFCCVEGCSA-N 0 1 386.399 3.425 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3cccc(SC(F)(F)F)c3)C2)nn1 ZINC000846285982 979457408 /nfs/dbraw/zinc/45/74/08/979457408.db2.gz QYLNSYPBZHUESB-LBPRGKRZSA-N 0 1 386.399 3.425 20 0 GGADMN Cc1nc(C)c(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)o1 ZINC000846288705 979458906 /nfs/dbraw/zinc/45/89/06/979458906.db2.gz AHWFPBQMUWOWKL-LSDHHAIUSA-N 0 1 379.254 3.354 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000849344301 979495167 /nfs/dbraw/zinc/49/51/67/979495167.db2.gz ILAGQHZYRYSFPI-KGYLQXTDSA-N 0 1 385.304 3.324 20 0 GGADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC000849349067 979499827 /nfs/dbraw/zinc/49/98/27/979499827.db2.gz OSYNDWQZFMPVDJ-HALDLXJZSA-N 0 1 394.500 3.187 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000851704890 979568299 /nfs/dbraw/zinc/56/82/99/979568299.db2.gz FCVQHOITSLXUAH-AEFFLSMTSA-N 0 1 388.508 3.171 20 0 GGADMN C/C(=C\C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1)C(=O)[O-] ZINC000851708862 979579994 /nfs/dbraw/zinc/57/99/94/979579994.db2.gz NMSUIJHOBFFDNW-CLUXPMKYSA-N 0 1 385.245 3.187 20 0 GGADMN Cc1cc(C)c(N2CC[C@@H]([N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC000852734908 979581991 /nfs/dbraw/zinc/58/19/91/979581991.db2.gz FDVGYHHJQYIQHU-WOJBJXKFSA-N 0 1 378.472 3.401 20 0 GGADMN Cc1cc(C)c(N2CC[C@@H]([N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC000852734908 979581998 /nfs/dbraw/zinc/58/19/98/979581998.db2.gz FDVGYHHJQYIQHU-WOJBJXKFSA-N 0 1 378.472 3.401 20 0 GGADMN Cc1cc(C)c(N2CC[C@@H]([N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC000852734906 979582050 /nfs/dbraw/zinc/58/20/50/979582050.db2.gz FDVGYHHJQYIQHU-VQTJNVASSA-N 0 1 378.472 3.401 20 0 GGADMN Cc1cc(C)c(N2CC[C@@H]([N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC000852734906 979582058 /nfs/dbraw/zinc/58/20/58/979582058.db2.gz FDVGYHHJQYIQHU-VQTJNVASSA-N 0 1 378.472 3.401 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1 ZINC001592838701 979591201 /nfs/dbraw/zinc/59/12/01/979591201.db2.gz HJYVPEXLBYTNMO-QWHCGFSZSA-N 0 1 387.307 3.179 20 0 GGADMN O=C([O-])C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000852959515 979592243 /nfs/dbraw/zinc/59/22/43/979592243.db2.gz NJHXWRYOKMSKBR-VQIMIIECSA-N 0 1 398.425 3.058 20 0 GGADMN O=C([O-])c1coc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000859790903 979631983 /nfs/dbraw/zinc/63/19/83/979631983.db2.gz JXKHOZYUHMMLBA-INIZCTEOSA-N 0 1 396.365 3.277 20 0 GGADMN CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859814245 979645057 /nfs/dbraw/zinc/64/50/57/979645057.db2.gz JRMHZGVBNGOIPA-LBPRGKRZSA-N 0 1 398.294 3.186 20 0 GGADMN CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859814245 979645061 /nfs/dbraw/zinc/64/50/61/979645061.db2.gz JRMHZGVBNGOIPA-LBPRGKRZSA-N 0 1 398.294 3.186 20 0 GGADMN COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859816900 979648152 /nfs/dbraw/zinc/64/81/52/979648152.db2.gz LCEKCCFMOXBYAJ-LJQANCHMSA-N 0 1 392.459 3.489 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000859819584 979653429 /nfs/dbraw/zinc/65/34/29/979653429.db2.gz KXKPKIJHMJFJKB-FQEVSTJZSA-N 0 1 391.899 3.499 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863474860 979670514 /nfs/dbraw/zinc/67/05/14/979670514.db2.gz GTEPONBVPJEXLY-FCRQHZQGSA-N 0 1 378.472 3.125 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C(=O)[O-] ZINC001592860246 979688333 /nfs/dbraw/zinc/68/83/33/979688333.db2.gz GOMWZWYRXJEDBI-SYNHAJSKSA-N 0 1 385.508 3.430 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C(=O)[O-] ZINC001592860245 979688436 /nfs/dbraw/zinc/68/84/36/979688436.db2.gz GOMWZWYRXJEDBI-OXFYSEKESA-N 0 1 385.508 3.430 20 0 GGADMN CC[C@H](C[NH2+]C1CCN(CC(=O)[O-])CC1)Cc1cccc(Br)c1 ZINC001595167343 979719927 /nfs/dbraw/zinc/71/99/27/979719927.db2.gz MADNMPCAOGCJJK-AWEZNQCLSA-N 0 1 383.330 3.156 20 0 GGADMN Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(N3CCCCC3)c(C(=O)[O-])c1)CC2 ZINC000864150699 979760568 /nfs/dbraw/zinc/76/05/68/979760568.db2.gz WJYUBXWVKRKTNF-OAHLLOKOSA-N 0 1 382.464 3.081 20 0 GGADMN C[C@](Cn1cccn1)([NH2+]Cc1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC001592924157 979928850 /nfs/dbraw/zinc/92/88/50/979928850.db2.gz UPYQORHNGQBFCB-MRXNPFEDSA-N 0 1 378.226 3.025 20 0 GGADMN Cn1cc(C[NH2+][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(Br)n1 ZINC000864514255 979941526 /nfs/dbraw/zinc/94/15/26/979941526.db2.gz NHGRVBJMAKPPHN-NSHDSACASA-N 0 1 392.175 3.117 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001595204284 979975393 /nfs/dbraw/zinc/97/53/93/979975393.db2.gz FJIFXUSWPSBVAH-NFBGKYEXSA-N 0 1 376.522 3.139 20 0 GGADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000871869155 979977575 /nfs/dbraw/zinc/97/75/75/979977575.db2.gz SVAJKKNPUZDQHJ-QGZVFWFLSA-N 0 1 394.537 3.016 20 0 GGADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000871869154 979977594 /nfs/dbraw/zinc/97/75/94/979977594.db2.gz SVAJKKNPUZDQHJ-KRWDZBQOSA-N 0 1 394.537 3.016 20 0 GGADMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000872166675 980064253 /nfs/dbraw/zinc/06/42/53/980064253.db2.gz MZPHJZUUDSKIIL-UHFFFAOYSA-N 0 1 379.416 3.044 20 0 GGADMN C[C@H]1C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000872168183 980069898 /nfs/dbraw/zinc/06/98/98/980069898.db2.gz RWZSOVBKXJXZBG-HZMBPMFUSA-N 0 1 381.778 3.459 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000872168183 980069907 /nfs/dbraw/zinc/06/99/07/980069907.db2.gz RWZSOVBKXJXZBG-HZMBPMFUSA-N 0 1 381.778 3.459 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000872168187 980070487 /nfs/dbraw/zinc/07/04/87/980070487.db2.gz RWZSOVBKXJXZBG-QMTHXVAHSA-N 0 1 381.778 3.459 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000872168187 980070498 /nfs/dbraw/zinc/07/04/98/980070498.db2.gz RWZSOVBKXJXZBG-QMTHXVAHSA-N 0 1 381.778 3.459 20 0 GGADMN CC[C@](NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237394 980144918 /nfs/dbraw/zinc/14/49/18/980144918.db2.gz FNWCDLUIVLPDCD-AMVBQIFNSA-N 0 1 378.900 3.267 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000900072816 980244412 /nfs/dbraw/zinc/24/44/12/980244412.db2.gz AGPUUIZONMPSMU-LBPRGKRZSA-N 0 1 387.333 3.286 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Br)c(F)c1F ZINC000900073506 980245818 /nfs/dbraw/zinc/24/58/18/980245818.db2.gz KDXUUTAJTSWJFJ-JTQLQIEISA-N 0 1 386.196 3.247 20 0 GGADMN Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000901420710 980267925 /nfs/dbraw/zinc/26/79/25/980267925.db2.gz TWNRZEVSLUVSGA-UHFFFAOYSA-N 0 1 396.487 3.115 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901428812 980275730 /nfs/dbraw/zinc/27/57/30/980275730.db2.gz OKUUMFNPYKFJFO-CQSZACIVSA-N 0 1 397.313 3.276 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000901429805 980278208 /nfs/dbraw/zinc/27/82/08/980278208.db2.gz ZOWLKYQSZMCKTL-INIZCTEOSA-N 0 1 382.464 3.122 20 0 GGADMN COc1cccc([C@H]2C[N@H+](Cc3cc(C)c(OCC(=O)[O-])c(C)c3)CCO2)c1 ZINC000901430919 980280483 /nfs/dbraw/zinc/28/04/83/980280483.db2.gz OFBSUDNLFHYEOD-HXUWFJFHSA-N 0 1 385.460 3.349 20 0 GGADMN COc1cccc([C@H]2C[N@@H+](Cc3cc(C)c(OCC(=O)[O-])c(C)c3)CCO2)c1 ZINC000901430919 980280487 /nfs/dbraw/zinc/28/04/87/980280487.db2.gz OFBSUDNLFHYEOD-HXUWFJFHSA-N 0 1 385.460 3.349 20 0 GGADMN O=C([O-])CCCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000901438560 980287133 /nfs/dbraw/zinc/28/71/33/980287133.db2.gz YKZCTDGOIYSYDO-LEWJYISDSA-N 0 1 395.503 3.058 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000901439426 980288417 /nfs/dbraw/zinc/28/84/17/980288417.db2.gz RVWHCEBPWVPAND-HNNXBMFYSA-N 0 1 377.872 3.281 20 0 GGADMN C[C@@H](NC(=O)C[NH2+][C@](C)(CC(=O)[O-])c1ccccn1)c1ccc2ccccc2c1 ZINC001593029591 980300898 /nfs/dbraw/zinc/30/08/98/980300898.db2.gz UXBRAGDLCRPVLV-WAIKUNEKSA-N 0 1 391.471 3.392 20 0 GGADMN O=C([O-])C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 ZINC000901503384 980323680 /nfs/dbraw/zinc/32/36/80/980323680.db2.gz SIEPBQXOAFENOK-NRFANRHFSA-N 0 1 391.471 3.274 20 0 GGADMN O=C([O-])C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1 ZINC000901503384 980323687 /nfs/dbraw/zinc/32/36/87/980323687.db2.gz SIEPBQXOAFENOK-NRFANRHFSA-N 0 1 391.471 3.274 20 0 GGADMN O=C([O-])C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCO1 ZINC000901503834 980324570 /nfs/dbraw/zinc/32/45/70/980324570.db2.gz WWIDLVDDVUFKJM-HXUWFJFHSA-N 0 1 395.434 3.354 20 0 GGADMN O=C([O-])C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCO1 ZINC000901503834 980324575 /nfs/dbraw/zinc/32/45/75/980324575.db2.gz WWIDLVDDVUFKJM-HXUWFJFHSA-N 0 1 395.434 3.354 20 0 GGADMN Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@](F)(C(=O)[O-])C4)cc3)nc12 ZINC000901517210 980333979 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1 393.285 3.193 20 0 GGADMN C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524794 980348317 /nfs/dbraw/zinc/34/83/17/980348317.db2.gz GVOMVVXTVRCWGQ-UZGISAJGSA-N 0 1 392.406 3.318 20 0 GGADMN Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](n4cc(C(=O)[O-])nn4)C3)s2)cc1 ZINC000901524727 980348550 /nfs/dbraw/zinc/34/85/50/980348550.db2.gz MSBZBBTXIKBDCO-HNNXBMFYSA-N 0 1 383.477 3.245 20 0 GGADMN COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000901527136 980354124 /nfs/dbraw/zinc/35/41/24/980354124.db2.gz WCONEDCNBFTVGI-GOSISDBHSA-N 0 1 392.459 3.489 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)nn1 ZINC000901529609 980357235 /nfs/dbraw/zinc/35/72/35/980357235.db2.gz YYDDUAAFCJZFEP-CQSZACIVSA-N 0 1 389.887 3.067 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)nn1 ZINC000901530022 980358178 /nfs/dbraw/zinc/35/81/78/980358178.db2.gz ZEJSOQVIEKPYQL-GFCCVEGCSA-N 0 1 387.440 3.076 20 0 GGADMN CC[C@@H]([NH2+]CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1OC(F)F ZINC001595287398 980370078 /nfs/dbraw/zinc/37/00/78/980370078.db2.gz RSFNJISTDYMHCA-GFCCVEGCSA-N 0 1 399.419 3.051 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000901543609 980372266 /nfs/dbraw/zinc/37/22/66/980372266.db2.gz WFSSPDGUAOJOBV-CYBMUJFWSA-N 0 1 382.176 3.143 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000901543609 980372271 /nfs/dbraw/zinc/37/22/71/980372271.db2.gz WFSSPDGUAOJOBV-CYBMUJFWSA-N 0 1 382.176 3.143 20 0 GGADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000901605587 980402822 /nfs/dbraw/zinc/40/28/22/980402822.db2.gz VZXMXZZVSQZFJG-UHFFFAOYSA-N 0 1 382.201 3.356 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000901613188 980404967 /nfs/dbraw/zinc/40/49/67/980404967.db2.gz HXKUJBRTJSVBGL-UHFFFAOYSA-N 0 1 394.397 3.182 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000901626428 980411181 /nfs/dbraw/zinc/41/11/81/980411181.db2.gz ZTRROSCCFASQMA-RBBKRZOGSA-N 0 1 392.499 3.440 20 0 GGADMN CC[C@]([NH2+]Cc1cn(C)nc1Br)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304763 980439797 /nfs/dbraw/zinc/43/97/97/980439797.db2.gz HLHKEKJZMYSASE-OAHLLOKOSA-N 0 1 386.677 3.316 20 0 GGADMN Cn1cc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c(-c2cc3ccccc3o2)n1 ZINC000901677760 980440148 /nfs/dbraw/zinc/44/01/48/980440148.db2.gz LYTIKDLZNKNJCH-QGZVFWFLSA-N 0 1 383.448 3.289 20 0 GGADMN Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000901680304 980442996 /nfs/dbraw/zinc/44/29/96/980442996.db2.gz YEBREJNPTMXTQN-MRXNPFEDSA-N 0 1 377.872 3.290 20 0 GGADMN CCOCCC[N@H+](Cc1ncc(Br)cc1Cl)C[C@H](C)C(=O)[O-] ZINC000901683118 980448645 /nfs/dbraw/zinc/44/86/45/980448645.db2.gz UVTGOQWYAVZWMP-NSHDSACASA-N 0 1 393.709 3.447 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2Cl)CC1 ZINC000901716587 980462437 /nfs/dbraw/zinc/46/24/37/980462437.db2.gz CYOLVVQMMSZVTN-DAXSKMNVSA-N 0 1 389.839 3.035 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000901743395 980473456 /nfs/dbraw/zinc/47/34/56/980473456.db2.gz IMTJVKYNNSSMOT-QWRGUYRKSA-N 0 1 384.354 3.033 20 0 GGADMN CN1CCN(c2cccc(Cl)c2C[NH2+]CC2(C(=O)[O-])CCCCC2)CC1 ZINC000901782687 980512441 /nfs/dbraw/zinc/51/24/41/980512441.db2.gz DLEOZXGNAVJUNS-UHFFFAOYSA-N 0 1 379.932 3.217 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000901785083 980515032 /nfs/dbraw/zinc/51/50/32/980515032.db2.gz CFWJQHHWBXAWCP-INIZCTEOSA-N 0 1 387.789 3.424 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000901786719 980516541 /nfs/dbraw/zinc/51/65/41/980516541.db2.gz MLCVVNMKHGACSM-SFHVURJKSA-N 0 1 380.366 3.500 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000901789987 980521503 /nfs/dbraw/zinc/52/15/03/980521503.db2.gz RMVARPWLPNDUPD-OAHLLOKOSA-N 0 1 375.297 3.194 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000901824478 980544146 /nfs/dbraw/zinc/54/41/46/980544146.db2.gz AAENBDDXUKAIMF-FQEVSTJZSA-N 0 1 391.370 3.245 20 0 GGADMN C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCO1 ZINC000901827846 980547111 /nfs/dbraw/zinc/54/71/11/980547111.db2.gz JWSUOIFIJMPULB-WZONZLPQSA-N 0 1 380.488 3.140 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cc2n(n1)CCC2)Cc1cccc(Br)c1 ZINC000901856965 980579485 /nfs/dbraw/zinc/57/94/85/980579485.db2.gz GPRJTQCOJVGIQP-UHFFFAOYSA-N 0 1 378.270 3.069 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cc2n(n1)CCC2)Cc1cccc(Br)c1 ZINC000901856965 980579487 /nfs/dbraw/zinc/57/94/87/980579487.db2.gz GPRJTQCOJVGIQP-UHFFFAOYSA-N 0 1 378.270 3.069 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901888414 980600610 /nfs/dbraw/zinc/60/06/10/980600610.db2.gz ANDWWNDMOONWPT-CYBMUJFWSA-N 0 1 381.448 3.017 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000901893717 980607291 /nfs/dbraw/zinc/60/72/91/980607291.db2.gz FSCQOTHVGHANCI-RBUKOAKNSA-N 0 1 382.851 3.221 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccncc2F)C[C@H]1c1ccc(Br)cc1 ZINC000901896866 980608436 /nfs/dbraw/zinc/60/84/36/980608436.db2.gz KYWGPGCASUWFRZ-LSDHHAIUSA-N 0 1 379.229 3.283 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Cl)nn2)C[C@H]1c1ccc(Br)cc1 ZINC000901897617 980609540 /nfs/dbraw/zinc/60/95/40/980609540.db2.gz UFMPPLPHGQIDKT-UONOGXRCSA-N 0 1 396.672 3.193 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)C[C@H]1c1ccc(Cl)cc1 ZINC000901898227 980610361 /nfs/dbraw/zinc/61/03/61/980610361.db2.gz JUEKCKJBDFOMPK-ZWKOTPCHSA-N 0 1 382.851 3.425 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3cc4cc(Br)ccc4o3)C[C@H]1COCC2 ZINC000901948751 980645139 /nfs/dbraw/zinc/64/51/39/980645139.db2.gz BTPJXGBLFDOYBS-YVEFUNNKSA-N 0 1 380.238 3.118 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000901982720 980660797 /nfs/dbraw/zinc/66/07/97/980660797.db2.gz DCPRMTFEPADSHJ-ZDUSSCGKSA-N 0 1 396.310 3.231 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000901982720 980660800 /nfs/dbraw/zinc/66/08/00/980660800.db2.gz DCPRMTFEPADSHJ-ZDUSSCGKSA-N 0 1 396.310 3.231 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000901981422 980660891 /nfs/dbraw/zinc/66/08/91/980660891.db2.gz BXTSEBVRLWKYJL-SNVBAGLBSA-N 0 1 396.253 3.443 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000901981422 980660892 /nfs/dbraw/zinc/66/08/92/980660892.db2.gz BXTSEBVRLWKYJL-SNVBAGLBSA-N 0 1 396.253 3.443 20 0 GGADMN C[C@H](C[N@H+](Cc1ncc(Br)cc1Br)C1CC1)C(=O)[O-] ZINC000901994626 980674013 /nfs/dbraw/zinc/67/40/13/980674013.db2.gz SXGRDPIRDRADLO-MRVPVSSYSA-N 0 1 392.091 3.292 20 0 GGADMN C[C@H](C[N@@H+](Cc1ncc(Br)cc1Br)C1CC1)C(=O)[O-] ZINC000901994626 980674020 /nfs/dbraw/zinc/67/40/20/980674020.db2.gz SXGRDPIRDRADLO-MRVPVSSYSA-N 0 1 392.091 3.292 20 0 GGADMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000902001694 980679644 /nfs/dbraw/zinc/67/96/44/980679644.db2.gz JJCPRKXLGHUHCI-NRFANRHFSA-N 0 1 391.471 3.274 20 0 GGADMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000902001694 980679646 /nfs/dbraw/zinc/67/96/46/980679646.db2.gz JJCPRKXLGHUHCI-NRFANRHFSA-N 0 1 391.471 3.274 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000902006410 980684174 /nfs/dbraw/zinc/68/41/74/980684174.db2.gz FXAFUSJJUYZJBL-AWEZNQCLSA-N 0 1 378.270 3.382 20 0 GGADMN Cc1cc(Br)cn2c(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])cnc12 ZINC000902010276 980688661 /nfs/dbraw/zinc/68/86/61/980688661.db2.gz CORZRNRQCSYEPF-CQDKDKBSSA-N 0 1 378.270 3.090 20 0 GGADMN Cc1cc(Br)cn2c(C[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])cnc12 ZINC000902010277 980689138 /nfs/dbraw/zinc/68/91/38/980689138.db2.gz CORZRNRQCSYEPF-GLQYFDAESA-N 0 1 378.270 3.090 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc(OC)c1OCC(F)F ZINC000902011367 980689785 /nfs/dbraw/zinc/68/97/85/980689785.db2.gz LCBYOROFKGRIGO-GDZNZVCISA-N 0 1 385.407 3.033 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)[C@@H](C(=O)[O-])C1 ZINC000902031141 980701928 /nfs/dbraw/zinc/70/19/28/980701928.db2.gz HUILLRDNNQZKPK-SWLSCSKDSA-N 0 1 379.254 3.061 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])ccc1OCc1ccccc1 ZINC000902033908 980705375 /nfs/dbraw/zinc/70/53/75/980705375.db2.gz WTDBAOURPJNVNR-MOPGFXCFSA-N 0 1 385.460 3.338 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)[C@H](C(=O)[O-])C1 ZINC000902034595 980706390 /nfs/dbraw/zinc/70/63/90/980706390.db2.gz RAKSBBMCDIBLHN-JQWIXIFHSA-N 0 1 394.212 3.115 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001595359493 980741523 /nfs/dbraw/zinc/74/15/23/980741523.db2.gz CCHLHMAMXJQEOY-SFHVURJKSA-N 0 1 377.435 3.270 20 0 GGADMN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2snc(OC)c2C(=O)[O-])CC1 ZINC001595359905 980746034 /nfs/dbraw/zinc/74/60/34/980746034.db2.gz NDGYYEURWPDHDR-OAHLLOKOSA-N 0 1 393.484 3.258 20 0 GGADMN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001595360206 980750037 /nfs/dbraw/zinc/75/00/37/980750037.db2.gz SCEXRANWCAQSKO-UCFODXPJSA-N 0 1 386.423 3.426 20 0 GGADMN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC001595360202 980750106 /nfs/dbraw/zinc/75/01/06/980750106.db2.gz SCEXRANWCAQSKO-FQQSSWHASA-N 0 1 386.423 3.426 20 0 GGADMN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001595360295 980750627 /nfs/dbraw/zinc/75/06/27/980750627.db2.gz GHAHGNDBJZTJQV-RXVVDRJESA-N 0 1 382.460 3.446 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC000902174841 980768043 /nfs/dbraw/zinc/76/80/43/980768043.db2.gz IWWUJYZTWZDSJD-KRWDZBQOSA-N 0 1 397.393 3.413 20 0 GGADMN Cc1c([C@@H](C)[NH2+]C2CCN(CCCC(=O)[O-])CC2)cnn1-c1ccc(F)cc1 ZINC000902193596 980777100 /nfs/dbraw/zinc/77/71/00/980777100.db2.gz VGWPOQKXVFKZCM-OAHLLOKOSA-N 0 1 388.487 3.300 20 0 GGADMN COc1cc(C[N@H+](C)Cc2c(C)nn(CCC(=O)[O-])c2C)ccc1SC ZINC000902201089 980780050 /nfs/dbraw/zinc/78/00/50/980780050.db2.gz SJDSDDXIZMLESS-UHFFFAOYSA-N 0 1 377.510 3.337 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2c(C)nn(CCC(=O)[O-])c2C)ccc1SC ZINC000902201089 980780054 /nfs/dbraw/zinc/78/00/54/980780054.db2.gz SJDSDDXIZMLESS-UHFFFAOYSA-N 0 1 377.510 3.337 20 0 GGADMN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902201241 980780120 /nfs/dbraw/zinc/78/01/20/980780120.db2.gz HZJJGQLZOMQLSL-CQSZACIVSA-N 0 1 397.313 3.276 20 0 GGADMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902201237 980780272 /nfs/dbraw/zinc/78/02/72/980780272.db2.gz HZJJGQLZOMQLSL-AWEZNQCLSA-N 0 1 397.313 3.276 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000902212133 980784738 /nfs/dbraw/zinc/78/47/38/980784738.db2.gz ZSDPWSZFVAUNBQ-CQSZACIVSA-N 0 1 382.395 3.349 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CCc1c(C)nc2ccccn2c1=O)CC(=O)[O-] ZINC001595363697 980785535 /nfs/dbraw/zinc/78/55/35/980785535.db2.gz IWTKLMBHRNKMJN-LJQANCHMSA-N 0 1 379.460 3.083 20 0 GGADMN CC[C@@H](c1ccncc1)[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001595364641 980796007 /nfs/dbraw/zinc/79/60/07/980796007.db2.gz ZHUFCYMTWVLKFV-PXNSSMCTSA-N 0 1 394.475 3.200 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000902294107 980820888 /nfs/dbraw/zinc/82/08/88/980820888.db2.gz BNHGWPBESZFERP-KRWDZBQOSA-N 0 1 387.455 3.209 20 0 GGADMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1 ZINC001595368428 980827037 /nfs/dbraw/zinc/82/70/37/980827037.db2.gz IOEHVWHUJNDLBG-FQEVSTJZSA-N 0 1 378.469 3.038 20 0 GGADMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1 ZINC001595368428 980827044 /nfs/dbraw/zinc/82/70/44/980827044.db2.gz IOEHVWHUJNDLBG-FQEVSTJZSA-N 0 1 378.469 3.038 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)Oc1cccc(Br)c1 ZINC000902315689 980830026 /nfs/dbraw/zinc/83/00/26/980830026.db2.gz HGMNJPBRZGERCZ-AWEZNQCLSA-N 0 1 399.329 3.135 20 0 GGADMN Cc1oc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1C(=O)[O-] ZINC000902324709 980832566 /nfs/dbraw/zinc/83/25/66/980832566.db2.gz OOGLWWJLCKUVDA-INIZCTEOSA-N 0 1 394.374 3.173 20 0 GGADMN Cc1oc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1C(=O)[O-] ZINC000902324710 980832750 /nfs/dbraw/zinc/83/27/50/980832750.db2.gz OOGLWWJLCKUVDA-MRXNPFEDSA-N 0 1 394.374 3.173 20 0 GGADMN O=C([O-])Cn1cc(C[NH2+]C2(c3cccc(Br)c3)CCCCC2)nn1 ZINC000902398560 980870281 /nfs/dbraw/zinc/87/02/81/980870281.db2.gz ROAIIWDYALOJLE-UHFFFAOYSA-N 0 1 393.285 3.074 20 0 GGADMN CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC001595375089 980891443 /nfs/dbraw/zinc/89/14/43/980891443.db2.gz PXBZCANHTLSJCY-CYBMUJFWSA-N 0 1 376.453 3.011 20 0 GGADMN CCC1(CC)C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCS1 ZINC001595375895 980900776 /nfs/dbraw/zinc/90/07/76/980900776.db2.gz GFJNMGWAFUFUAW-UHFFFAOYSA-N 0 1 382.551 3.481 20 0 GGADMN CCC1(CC)C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCS1 ZINC001595375895 980900781 /nfs/dbraw/zinc/90/07/81/980900781.db2.gz GFJNMGWAFUFUAW-UHFFFAOYSA-N 0 1 382.551 3.481 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000902495785 980910074 /nfs/dbraw/zinc/91/00/74/980910074.db2.gz TXHQKVYIXGRRRH-QXAKKESOSA-N 0 1 393.325 3.006 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000902501991 980911569 /nfs/dbraw/zinc/91/15/69/980911569.db2.gz AWRSXDJNSQHFLI-QUCCMNQESA-N 0 1 380.916 3.479 20 0 GGADMN CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001595384551 980932586 /nfs/dbraw/zinc/93/25/86/980932586.db2.gz VWSSHWCIVJGBIH-FQEVSTJZSA-N 0 1 387.505 3.196 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1OC(F)(F)F ZINC000902566318 980935584 /nfs/dbraw/zinc/93/55/84/980935584.db2.gz SHRHBOXONFIEJL-LLVKDONJSA-N 0 1 383.248 3.243 20 0 GGADMN O=C([O-])C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903601119 980982846 /nfs/dbraw/zinc/98/28/46/980982846.db2.gz FHRBSRCVDBFOMX-STQMWFEESA-N 0 1 396.203 3.446 20 0 GGADMN COc1ccc2c(c1)C[C@H](C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)O2 ZINC000903602192 980983928 /nfs/dbraw/zinc/98/39/28/980983928.db2.gz PHVPRVKLKGSPGU-MRXNPFEDSA-N 0 1 377.387 3.254 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000903617400 980995283 /nfs/dbraw/zinc/99/52/83/980995283.db2.gz WDHVXFLFOYTOCE-KRWDZBQOSA-N 0 1 379.378 3.365 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@@H](O)c1ccccc1Br)C2 ZINC000903617253 980995625 /nfs/dbraw/zinc/99/56/25/980995625.db2.gz SMDGGJUGBJGNAZ-QGZVFWFLSA-N 0 1 376.250 3.239 20 0 GGADMN CC(C)C[N@@H+](CCCN1CCN(c2ccccc2)CC1)CC(C)(C)C(=O)[O-] ZINC000903622406 980998360 /nfs/dbraw/zinc/99/83/60/980998360.db2.gz KCUVIHUDZTUBFK-UHFFFAOYSA-N 0 1 375.557 3.268 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CCc1ccc2c(c1)OCO2 ZINC000903625661 981001289 /nfs/dbraw/zinc/00/12/89/981001289.db2.gz OUHVVHWALRYNFZ-UHFFFAOYSA-N 0 1 377.824 3.320 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000903626415 981001752 /nfs/dbraw/zinc/00/17/52/981001752.db2.gz BEBZPZIUPPXQIR-HXUWFJFHSA-N 0 1 383.444 3.265 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000903627224 981003327 /nfs/dbraw/zinc/00/33/27/981003327.db2.gz NESMKYAAPAAYDQ-UKRRQHHQSA-N 0 1 377.334 3.196 20 0 GGADMN Cn1ccc([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903631000 981007263 /nfs/dbraw/zinc/00/72/63/981007263.db2.gz JFQADFSSOXRCOC-XJKSGUPXSA-N 0 1 378.270 3.188 20 0 GGADMN O=C([O-])c1cncc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000903889740 981022442 /nfs/dbraw/zinc/02/24/42/981022442.db2.gz QFWPOMPRZPMDQD-OAHLLOKOSA-N 0 1 382.395 3.349 20 0 GGADMN CCOC[C@H]1CCC[N@@H+](Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC000903891634 981023163 /nfs/dbraw/zinc/02/31/63/981023163.db2.gz RALABZAKLJOWQM-LBPRGKRZSA-N 0 1 386.286 3.404 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(Br)cc1C(=O)[O-] ZINC000903899348 981028217 /nfs/dbraw/zinc/02/82/17/981028217.db2.gz YGFREYLAUXURGM-XHDPSFHLSA-N 0 1 384.270 3.157 20 0 GGADMN CC1(C)Cc2nc(C[N@H+]3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)sc2C(C)(C)C1 ZINC000903904573 981030150 /nfs/dbraw/zinc/03/01/50/981030150.db2.gz LVPHKICHDUERLD-RNODOKPDSA-N 0 1 378.538 3.316 20 0 GGADMN O=C([O-])C[N@@H+](CCOC1CCSCC1)Cc1cccc(Br)c1 ZINC000903903691 981030246 /nfs/dbraw/zinc/03/02/46/981030246.db2.gz FZMGQJSSNIQZHE-UHFFFAOYSA-N 0 1 388.327 3.248 20 0 GGADMN CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595415845 981030363 /nfs/dbraw/zinc/03/03/63/981030363.db2.gz MDORJTMVPSEEMP-CMPLNLGQSA-N 0 1 382.482 3.133 20 0 GGADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595415848 981030410 /nfs/dbraw/zinc/03/04/10/981030410.db2.gz MDORJTMVPSEEMP-ZYHUDNBSSA-N 0 1 382.482 3.133 20 0 GGADMN CO[C@@H]1CC[N@@H+](CCCCOc2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000903906750 981031729 /nfs/dbraw/zinc/03/17/29/981031729.db2.gz DDDMYKOWJKDZQN-HZPDHXFCSA-N 0 1 386.286 3.172 20 0 GGADMN CO[C@H]1CC[N@@H+](CCCCOc2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000903906749 981031917 /nfs/dbraw/zinc/03/19/17/981031917.db2.gz DDDMYKOWJKDZQN-HOTGVXAUSA-N 0 1 386.286 3.172 20 0 GGADMN CO[C@@H]1CC[N@@H+](CCCCOc2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000903906748 981032035 /nfs/dbraw/zinc/03/20/35/981032035.db2.gz DDDMYKOWJKDZQN-CVEARBPZSA-N 0 1 386.286 3.172 20 0 GGADMN COc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c(Br)cc1C(=O)[O-] ZINC000903907621 981032885 /nfs/dbraw/zinc/03/28/85/981032885.db2.gz ORYNDTZMBZABOS-MRXNPFEDSA-N 0 1 386.286 3.403 20 0 GGADMN O=C([O-])c1cccc2c1OCC[N@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000903920876 981038813 /nfs/dbraw/zinc/03/88/13/981038813.db2.gz IVKXDAWRGBQVOC-INIZCTEOSA-N 0 1 392.249 3.075 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)s1 ZINC000903923708 981039743 /nfs/dbraw/zinc/03/97/43/981039743.db2.gz AKQPKMMCTUIESU-DGCLKSJQSA-N 0 1 397.294 3.127 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@@H](O)c3ccccc3Br)C2)s1 ZINC000903925779 981043680 /nfs/dbraw/zinc/04/36/80/981043680.db2.gz WUEZOIVLHJHEAN-GXFFZTMASA-N 0 1 397.294 3.127 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(F)F ZINC000903926231 981044279 /nfs/dbraw/zinc/04/42/79/981044279.db2.gz ABMWYZVIPUZRIW-LLVKDONJSA-N 0 1 384.404 3.441 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000903926236 981044464 /nfs/dbraw/zinc/04/44/64/981044464.db2.gz AEHSJYDMCOCJKV-AAEUAGOBSA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H]([C@H]2CCCO2)C1 ZINC000903942169 981064247 /nfs/dbraw/zinc/06/42/47/981064247.db2.gz AXPRDIZRGSLDEW-MXASKKJJSA-N 0 1 387.398 3.083 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2Br)[C@@H]([C@H]2CCCO2)C1 ZINC000903942412 981065258 /nfs/dbraw/zinc/06/52/58/981065258.db2.gz XASVGKJGCPFEEQ-FRFSOERESA-N 0 1 398.297 3.172 20 0 GGADMN 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ZINC001595484447 981221482 /nfs/dbraw/zinc/22/14/82/981221482.db2.gz QWUPELGTGHXNEL-LEWJYISDSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484447 981221484 /nfs/dbraw/zinc/22/14/84/981221484.db2.gz QWUPELGTGHXNEL-LEWJYISDSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484447 981221486 /nfs/dbraw/zinc/22/14/86/981221486.db2.gz QWUPELGTGHXNEL-LEWJYISDSA-N 0 1 396.487 3.195 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC000907805022 981224777 /nfs/dbraw/zinc/22/47/77/981224777.db2.gz DEGKUMFOAKDJMI-YPHICONVSA-N 0 1 378.472 3.197 20 0 GGADMN CC[C@@H]1CN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595484673 981224830 /nfs/dbraw/zinc/22/48/30/981224830.db2.gz WMFLCVTXYJQOLN-PKOBYXMFSA-N 0 1 397.519 3.497 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC000907805019 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3.008 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCC[N@@H+](CCc3ccccc3)C1)C2 ZINC000910066257 981751464 /nfs/dbraw/zinc/75/14/64/981751464.db2.gz OGGBJRDDVJFBTJ-HXUWFJFHSA-N 0 1 392.499 3.224 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000910070001 981752204 /nfs/dbraw/zinc/75/22/04/981752204.db2.gz FDXREAXWKKOJLL-OAQYLSRUSA-N 0 1 396.462 3.463 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000910070001 981752213 /nfs/dbraw/zinc/75/22/13/981752213.db2.gz FDXREAXWKKOJLL-OAQYLSRUSA-N 0 1 396.462 3.463 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000910070015 981752476 /nfs/dbraw/zinc/75/24/76/981752476.db2.gz FOUKUGOLZQQSEX-LJQANCHMSA-N 0 1 378.472 3.182 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3[C@H](C(=O)[O-])CC[C@H]3c3ccccc3)CC2)[nH+]c1 ZINC000910104061 981760706 /nfs/dbraw/zinc/76/07/06/981760706.db2.gz VRKNOZCAKXVBTK-PMACEKPBSA-N 0 1 393.487 3.423 20 0 GGADMN O=C([O-])[C@]12CN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)C[C@H]1CCCC2 ZINC000910160932 981768650 /nfs/dbraw/zinc/76/86/50/981768650.db2.gz QKOHSJDSLAVRQK-MIZPHKNDSA-N 0 1 384.520 3.045 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627636 981774779 /nfs/dbraw/zinc/77/47/79/981774779.db2.gz NONQSUMFQZIOHO-OLZOCXBDSA-N 0 1 392.481 3.125 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627636 981774786 /nfs/dbraw/zinc/77/47/86/981774786.db2.gz NONQSUMFQZIOHO-OLZOCXBDSA-N 0 1 392.481 3.125 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627638 981774937 /nfs/dbraw/zinc/77/49/37/981774937.db2.gz NONQSUMFQZIOHO-STQMWFEESA-N 0 1 392.481 3.125 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627638 981774939 /nfs/dbraw/zinc/77/49/39/981774939.db2.gz NONQSUMFQZIOHO-STQMWFEESA-N 0 1 392.481 3.125 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627635 981774952 /nfs/dbraw/zinc/77/49/52/981774952.db2.gz NONQSUMFQZIOHO-CHWSQXEVSA-N 0 1 392.481 3.125 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627635 981774954 /nfs/dbraw/zinc/77/49/54/981774954.db2.gz NONQSUMFQZIOHO-CHWSQXEVSA-N 0 1 392.481 3.125 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3CCc4c(F)ccc(C(=O)[O-])c4C3)CC2)[nH+]c1 ZINC000910207791 981783983 /nfs/dbraw/zinc/78/39/83/981783983.db2.gz QKXNTBJFIAPXLF-UHFFFAOYSA-N 0 1 397.450 3.029 20 0 GGADMN O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)s1 ZINC000910213997 981788992 /nfs/dbraw/zinc/78/89/92/981788992.db2.gz QMRAVAZYHMKJIY-INIZCTEOSA-N 0 1 391.537 3.344 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F)C(=O)[O-] ZINC000910233921 981798395 /nfs/dbraw/zinc/79/83/95/981798395.db2.gz QSJBZQJCVDGTNT-UONOGXRCSA-N 0 1 378.444 3.271 20 0 GGADMN CC(C)N1CC[NH+](CCCC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC000910249384 981822182 /nfs/dbraw/zinc/82/21/82/981822182.db2.gz VBJIMGGTXZVXQE-UHFFFAOYSA-N 0 1 383.492 3.283 20 0 GGADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCC1(NC(=O)OC(C)(C)C)CCOCC1)CC1CC1 ZINC001594787583 981824653 /nfs/dbraw/zinc/82/46/53/981824653.db2.gz INNCMJSVBRTYHF-FQEVSTJZSA-N 0 1 398.544 3.416 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000910253872 981830572 /nfs/dbraw/zinc/83/05/72/981830572.db2.gz SYSKTURIOOJXPU-IAQYHMDHSA-N 0 1 381.270 3.411 20 0 GGADMN Cc1nc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1C(=O)[O-] ZINC000910288316 981844239 /nfs/dbraw/zinc/84/42/39/981844239.db2.gz OQJLCQHRKZDASI-UHFFFAOYSA-N 0 1 399.491 3.190 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000910301424 981858499 /nfs/dbraw/zinc/85/84/99/981858499.db2.gz MBPNSFNXDOJAAM-YZGWKJHDSA-N 0 1 379.460 3.120 20 0 GGADMN C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000910315849 981869670 /nfs/dbraw/zinc/86/96/70/981869670.db2.gz SMIICIAZHODODL-IERDGZPVSA-N 0 1 392.927 3.497 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000910351057 981886097 /nfs/dbraw/zinc/88/60/97/981886097.db2.gz BDWSFYGFMPOSAT-UHFFFAOYSA-N 0 1 394.397 3.294 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC000910352658 981886737 /nfs/dbraw/zinc/88/67/37/981886737.db2.gz RDZXUOGJHADIDD-UHFFFAOYSA-N 0 1 394.397 3.294 20 0 GGADMN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC(CC(=O)[O-])CC1)C2=O ZINC001594808842 981922254 /nfs/dbraw/zinc/92/22/54/981922254.db2.gz PIRATKZICRISCG-UHFFFAOYSA-N 0 1 393.528 3.048 20 0 GGADMN Cc1nc2scc(CC(C)C)c2c(N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)n1 ZINC000910455849 981941394 /nfs/dbraw/zinc/94/13/94/981941394.db2.gz JVAOSIRWJJGIFF-CYBMUJFWSA-N 0 1 376.526 3.183 20 0 GGADMN Cc1nc2sc3c(c2c(N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)n1)CC[C@@H](C)C3 ZINC000910459344 981943731 /nfs/dbraw/zinc/94/37/31/981943731.db2.gz YEZADTRTEIPFAP-CHWSQXEVSA-N 0 1 388.537 3.110 20 0 GGADMN CCCC[C@H](S[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC001595652808 982037116 /nfs/dbraw/zinc/03/71/16/982037116.db2.gz XYPYICBROLHNDN-SZMVWBNQSA-N 0 1 378.538 3.142 20 0 GGADMN CCCC[C@H](SCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(=O)[O-] ZINC001595654450 982040479 /nfs/dbraw/zinc/04/04/79/982040479.db2.gz CFLIZBQNAHKYRL-IBGZPJMESA-N 0 1 392.565 3.406 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)CC2)c1 ZINC000910684011 982060564 /nfs/dbraw/zinc/06/05/64/982060564.db2.gz LYAACWYXQKFTPR-KRWDZBQOSA-N 0 1 388.508 3.326 20 0 GGADMN CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910719784 982081669 /nfs/dbraw/zinc/08/16/69/982081669.db2.gz XTUPXLBDHWXGPK-AAEUAGOBSA-N 0 1 376.482 3.223 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000910771244 982114307 /nfs/dbraw/zinc/11/43/07/982114307.db2.gz YYALMPGLNIHXSF-PZJWPPBQSA-N 0 1 396.487 3.192 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000910771243 982114344 /nfs/dbraw/zinc/11/43/44/982114344.db2.gz YYALMPGLNIHXSF-FPOVZHCZSA-N 0 1 396.487 3.192 20 0 GGADMN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001594858539 982125717 /nfs/dbraw/zinc/12/57/17/982125717.db2.gz GSEPYYULJOMFBV-QFIPXVFZSA-N 0 1 395.459 3.197 20 0 GGADMN CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001594858539 982125726 /nfs/dbraw/zinc/12/57/26/982125726.db2.gz GSEPYYULJOMFBV-QFIPXVFZSA-N 0 1 395.459 3.197 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910830850 982142894 /nfs/dbraw/zinc/14/28/94/982142894.db2.gz SVSRJPGGUKFYLX-INIZCTEOSA-N 0 1 376.497 3.171 20 0 GGADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910951654 982174143 /nfs/dbraw/zinc/17/41/43/982174143.db2.gz KJNXWZHAXYBBIA-HXUWFJFHSA-N 0 1 383.492 3.447 20 0 GGADMN CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594872822 982189568 /nfs/dbraw/zinc/18/95/68/982189568.db2.gz GGNJLWWKIOFLCV-CAPXZKIUSA-N 0 1 398.297 3.137 20 0 GGADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001594873281 982192763 /nfs/dbraw/zinc/19/27/63/982192763.db2.gz LPPVEMSUWSDECQ-MSQAHXEGSA-N 0 1 398.297 3.137 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000911083101 982229655 /nfs/dbraw/zinc/22/96/55/982229655.db2.gz SVMBQIQATAXGDZ-INIZCTEOSA-N 0 1 384.501 3.210 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696480 982229627 /nfs/dbraw/zinc/22/96/27/982229627.db2.gz JLXSLSOUQNQUQA-UZLBHIALSA-N 0 1 386.533 3.009 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696479 982230394 /nfs/dbraw/zinc/23/03/94/982230394.db2.gz JLXSLSOUQNQUQA-OXQOHEQNSA-N 0 1 386.533 3.009 20 0 GGADMN CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881073 982234050 /nfs/dbraw/zinc/23/40/50/982234050.db2.gz MFNSZWXDNFHTHX-CMPLNLGQSA-N 0 1 396.509 3.379 20 0 GGADMN CCCCCC[C@@](O)(C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C(=O)[O-] ZINC001595697471 982242117 /nfs/dbraw/zinc/24/21/17/982242117.db2.gz QTOFKUGJAFRREN-QGZVFWFLSA-N 0 1 391.434 3.394 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(CC(=O)[O-])c3)CC2)cc1 ZINC000911110458 982244766 /nfs/dbraw/zinc/24/47/66/982244766.db2.gz ZRRNTHMLXWHJRM-UHFFFAOYSA-N 0 1 380.488 3.395 20 0 GGADMN O=C([O-])Cc1cccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000911120238 982248247 /nfs/dbraw/zinc/24/82/47/982248247.db2.gz MDFANTWDICTPQJ-UHFFFAOYSA-N 0 1 388.467 3.425 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595698256 982249600 /nfs/dbraw/zinc/24/96/00/982249600.db2.gz QDNZUZFWBWWPHM-QRWLVFNGSA-N 0 1 386.533 3.008 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001595698791 982253578 /nfs/dbraw/zinc/25/35/78/982253578.db2.gz XBKCLEPTPLQSTD-CXAGYDPISA-N 0 1 389.418 3.071 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001595698799 982253658 /nfs/dbraw/zinc/25/36/58/982253658.db2.gz XBKCLEPTPLQSTD-GUYCJALGSA-N 0 1 389.418 3.071 20 0 GGADMN O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911135633 982255770 /nfs/dbraw/zinc/25/57/70/982255770.db2.gz MKRFNTAHZYFFAK-UHFFFAOYSA-N 0 1 391.471 3.143 20 0 GGADMN C[C@H](CC(=O)[O-])CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000911151946 982261195 /nfs/dbraw/zinc/26/11/95/982261195.db2.gz LKJJXIKYRZEGRH-INIZCTEOSA-N 0 1 378.472 3.402 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21)C(=O)[O-] ZINC001594886668 982266373 /nfs/dbraw/zinc/26/63/73/982266373.db2.gz AKUCMNBXMOTKBT-WDYCEAGBSA-N 0 1 375.513 3.033 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)cc1 ZINC000911175869 982266470 /nfs/dbraw/zinc/26/64/70/982266470.db2.gz KAKVBYMACQIYEY-INIZCTEOSA-N 0 1 384.480 3.375 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000911177734 982268301 /nfs/dbraw/zinc/26/83/01/982268301.db2.gz VDRCWSYBBBVMEG-HNNXBMFYSA-N 0 1 384.476 3.377 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000911179992 982270675 /nfs/dbraw/zinc/27/06/75/982270675.db2.gz GPBDGBPYXJMNMQ-KRWDZBQOSA-N 0 1 380.488 3.476 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000911183472 982271715 /nfs/dbraw/zinc/27/17/15/982271715.db2.gz RXSAIYQYOMDJBC-UHFFFAOYSA-N 0 1 393.487 3.496 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccoc2CC(=O)[O-])C1 ZINC000911188115 982273363 /nfs/dbraw/zinc/27/33/63/982273363.db2.gz NWNHHFXPECPNGA-IYBDPMFKSA-N 0 1 384.476 3.315 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)cc2)CC1 ZINC000911189036 982274577 /nfs/dbraw/zinc/27/45/77/982274577.db2.gz UAUOGPVQLAIGMP-UHFFFAOYSA-N 0 1 381.476 3.083 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC000911205052 982283953 /nfs/dbraw/zinc/28/39/53/982283953.db2.gz FIRCKOAAWFHEEJ-ZDUSSCGKSA-N 0 1 397.313 3.389 20 0 GGADMN O=C([O-])c1cn(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000911221170 982290946 /nfs/dbraw/zinc/29/09/46/982290946.db2.gz QOHGAOHOHBCVCZ-GOSISDBHSA-N 0 1 391.471 3.120 20 0 GGADMN O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000911221164 982291028 /nfs/dbraw/zinc/29/10/28/982291028.db2.gz QHZZVYCJEBPTEX-QGZVFWFLSA-N 0 1 391.471 3.189 20 0 GGADMN C[C@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000911222658 982291568 /nfs/dbraw/zinc/29/15/68/982291568.db2.gz QFJTZLBIQVXFMV-CYBMUJFWSA-N 0 1 397.500 3.033 20 0 GGADMN C[C@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000911222658 982291574 /nfs/dbraw/zinc/29/15/74/982291574.db2.gz QFJTZLBIQVXFMV-CYBMUJFWSA-N 0 1 397.500 3.033 20 0 GGADMN C[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000911221914 982292155 /nfs/dbraw/zinc/29/21/55/982292155.db2.gz BSKRIESVFFSNCZ-LLVKDONJSA-N 0 1 378.881 3.276 20 0 GGADMN C[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000911221914 982292166 /nfs/dbraw/zinc/29/21/66/982292166.db2.gz BSKRIESVFFSNCZ-LLVKDONJSA-N 0 1 378.881 3.276 20 0 GGADMN O=C([O-])C12CCC(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)(CC1)C2 ZINC000911226397 982298968 /nfs/dbraw/zinc/29/89/68/982298968.db2.gz GRFQVVXXSKXXAG-UHFFFAOYSA-N 0 1 392.446 3.081 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(OC)c2)C1 ZINC001595712282 982305409 /nfs/dbraw/zinc/30/54/09/982305409.db2.gz OEEMIZLZTBFRHA-PKOBYXMFSA-N 0 1 376.497 3.229 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000911241025 982309413 /nfs/dbraw/zinc/30/94/13/982309413.db2.gz BEXFDUQGCAMYRD-OAHLLOKOSA-N 0 1 378.538 3.444 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911240224 982309480 /nfs/dbraw/zinc/30/94/80/982309480.db2.gz UNBVUTGOHPQTJV-QGZVFWFLSA-N 0 1 385.439 3.046 20 0 GGADMN CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000911253095 982316294 /nfs/dbraw/zinc/31/62/94/982316294.db2.gz OGTVICFATXODPB-IEBWSBKVSA-N 0 1 398.507 3.046 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000911261572 982320345 /nfs/dbraw/zinc/32/03/45/982320345.db2.gz MBUKICXOWZFZLA-XUWVNRHRSA-N 0 1 378.538 3.348 20 0 GGADMN O=C([O-])C12CCC(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)(CC1)C2 ZINC000911275656 982326680 /nfs/dbraw/zinc/32/66/80/982326680.db2.gz QPFVRFUIXKPKIK-APMMTJHUSA-N 0 1 376.522 3.111 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000911315740 982336971 /nfs/dbraw/zinc/33/69/71/982336971.db2.gz QLBDGCNGMPGAGX-QGZVFWFLSA-N 0 1 387.524 3.077 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)cc2Cl)CC1 ZINC000911318691 982342024 /nfs/dbraw/zinc/34/20/24/982342024.db2.gz CPSCHVJMRAFNLL-QPJJXVBHSA-N 0 1 389.839 3.035 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000911322198 982345735 /nfs/dbraw/zinc/34/57/35/982345735.db2.gz BLTKXXGGXSDMIS-HXUWFJFHSA-N 0 1 396.487 3.146 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C(=O)[O-])oc1C ZINC000911324232 982347930 /nfs/dbraw/zinc/34/79/30/982347930.db2.gz XBNIIVUJJFMNKW-INIZCTEOSA-N 0 1 386.448 3.119 20 0 GGADMN O=C([O-])C1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000911327858 982352576 /nfs/dbraw/zinc/35/25/76/982352576.db2.gz QWLRESUKKVYWMF-UHFFFAOYSA-N 0 1 384.520 3.189 20 0 GGADMN O=C([O-])c1ccc(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000911328939 982353735 /nfs/dbraw/zinc/35/37/35/982353735.db2.gz XBMOHTINHABZIA-UHFFFAOYSA-N 0 1 380.488 3.094 20 0 GGADMN C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000911332274 982356523 /nfs/dbraw/zinc/35/65/23/982356523.db2.gz ZHSGWRVZIBABPL-AYBZRNKSSA-N 0 1 397.475 3.480 20 0 GGADMN Cc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000911334519 982357634 /nfs/dbraw/zinc/35/76/34/982357634.db2.gz ANSAHMYCNWFRRE-LJQANCHMSA-N 0 1 396.487 3.019 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1)C(C)C ZINC000911349090 982372318 /nfs/dbraw/zinc/37/23/18/982372318.db2.gz KXXKJLSBPZXQMF-HXUWFJFHSA-N 0 1 398.503 3.296 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595734514 982373749 /nfs/dbraw/zinc/37/37/49/982373749.db2.gz PKPDENNDMJWJOS-ZDUSSCGKSA-N 0 1 382.530 3.056 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595734513 982374367 /nfs/dbraw/zinc/37/43/67/982374367.db2.gz PKPDENNDMJWJOS-CYBMUJFWSA-N 0 1 382.530 3.056 20 0 GGADMN C[C@@]1(CNC(=O)CCc2ccccc2C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000911362520 982379124 /nfs/dbraw/zinc/37/91/24/982379124.db2.gz MOOMUTRFAYIPAG-QHCPKHFHSA-N 0 1 380.488 3.488 20 0 GGADMN C[C@]1(CNC(=O)CCc2ccccc2C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000911362519 982379676 /nfs/dbraw/zinc/37/96/76/982379676.db2.gz MOOMUTRFAYIPAG-HSZRJFAPSA-N 0 1 380.488 3.488 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000911363907 982382292 /nfs/dbraw/zinc/38/22/92/982382292.db2.gz ZTBRTOHFZWAPNM-QHCPKHFHSA-N 0 1 396.487 3.343 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000911364803 982383401 /nfs/dbraw/zinc/38/34/01/982383401.db2.gz NMQNUAFAMNDLEO-UWJYYQICSA-N 0 1 380.488 3.439 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911371653 982389782 /nfs/dbraw/zinc/38/97/82/982389782.db2.gz GTUHSRSHCUZYRT-MRXNPFEDSA-N 0 1 385.508 3.356 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000911373105 982391145 /nfs/dbraw/zinc/39/11/45/982391145.db2.gz UCYIMKTYXBTVQM-KRWDZBQOSA-N 0 1 390.524 3.397 20 0 GGADMN O=C([O-])c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc2[nH]ccc21 ZINC000911386885 982410922 /nfs/dbraw/zinc/41/09/22/982410922.db2.gz KMWOIGNDBFNMKK-OAHLLOKOSA-N 0 1 378.432 3.112 20 0 GGADMN CCCC[N@@H+](Cc1snc(OC)c1C(=O)[O-])[C@H]1CCc2ncsc2C1 ZINC001595747872 982415905 /nfs/dbraw/zinc/41/59/05/982415905.db2.gz LBSGTEMFIYLKNK-NSHDSACASA-N 0 1 381.523 3.466 20 0 GGADMN CC[N@@H+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@H](C)C1 ZINC000911406274 982418875 /nfs/dbraw/zinc/41/88/75/982418875.db2.gz ALAIXJYBBINSNV-CQSZACIVSA-N 0 1 388.489 3.436 20 0 GGADMN CC[N@H+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@H](C)C1 ZINC000911406274 982418879 /nfs/dbraw/zinc/41/88/79/982418879.db2.gz ALAIXJYBBINSNV-CQSZACIVSA-N 0 1 388.489 3.436 20 0 GGADMN O=C([O-])c1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)no1 ZINC000911479701 982451700 /nfs/dbraw/zinc/45/17/00/982451700.db2.gz LBHJHWFTGOXUJS-UHFFFAOYSA-N 0 1 383.448 3.034 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000911492014 982454272 /nfs/dbraw/zinc/45/42/72/982454272.db2.gz YVTTUAWCODSVNM-UHFFFAOYSA-N 0 1 395.253 3.292 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1ccoc1CC(=O)[O-] ZINC000911501875 982459385 /nfs/dbraw/zinc/45/93/85/982459385.db2.gz ZAJJGBPZAZODIR-UHFFFAOYSA-N 0 1 384.476 3.422 20 0 GGADMN C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000911501771 982459476 /nfs/dbraw/zinc/45/94/76/982459476.db2.gz WXFFSNPQFXJSAC-SFHVURJKSA-N 0 1 380.488 3.440 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3cccc(CC(=O)[O-])c3)CC[N@H+]2C2CC2)c1 ZINC000911506042 982462323 /nfs/dbraw/zinc/46/23/23/982462323.db2.gz ZCTXUJFIVGUJIY-IRLDBZIGSA-N 0 1 394.471 3.030 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(=O)[O-])cc3F)CC[N@H+]2C2CC2)c1 ZINC000911505759 982462381 /nfs/dbraw/zinc/46/23/81/982462381.db2.gz VVMKEUFCMILWGL-PMACEKPBSA-N 0 1 398.434 3.240 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)c2c(C)coc2CC(=O)[O-])CC1)CC1CC1 ZINC000911508556 982463290 /nfs/dbraw/zinc/46/32/90/982463290.db2.gz IHJKHKCKJQOMGB-UHFFFAOYSA-N 0 1 376.497 3.189 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1)CC1CC1 ZINC000911509572 982464467 /nfs/dbraw/zinc/46/44/67/982464467.db2.gz TVCCLXNZWAHPIU-UHFFFAOYSA-N 0 1 376.541 3.382 20 0 GGADMN C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000911509690 982464857 /nfs/dbraw/zinc/46/48/57/982464857.db2.gz WGENFOFEQZGEBU-GJZGRUSLSA-N 0 1 383.492 3.178 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000911510551 982465544 /nfs/dbraw/zinc/46/55/44/982465544.db2.gz CYISNBNAWSHYEM-CVEARBPZSA-N 0 1 376.884 3.237 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000911510551 982465549 /nfs/dbraw/zinc/46/55/49/982465549.db2.gz CYISNBNAWSHYEM-CVEARBPZSA-N 0 1 376.884 3.237 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000911512465 982466704 /nfs/dbraw/zinc/46/67/04/982466704.db2.gz QSPNENHPRQUPRU-IAGOWNOFSA-N 0 1 376.815 3.353 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccc(Cl)cc1 ZINC000911512465 982466710 /nfs/dbraw/zinc/46/67/10/982466710.db2.gz QSPNENHPRQUPRU-IAGOWNOFSA-N 0 1 376.815 3.353 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)cc2)C1 ZINC000911538729 982482626 /nfs/dbraw/zinc/48/26/26/982482626.db2.gz WKDRNSZSCLLLNH-AWEZNQCLSA-N 0 1 386.423 3.497 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000911540654 982483694 /nfs/dbraw/zinc/48/36/94/982483694.db2.gz GCRCYPCWODPLQF-AWEZNQCLSA-N 0 1 386.448 3.188 20 0 GGADMN O=C([O-])Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000911554634 982497152 /nfs/dbraw/zinc/49/71/52/982497152.db2.gz BREOWFLYHKXOFI-BHDDXSALSA-N 0 1 392.499 3.344 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000911566384 982505910 /nfs/dbraw/zinc/50/59/10/982505910.db2.gz DKYJPUUHQCXLRD-CVEARBPZSA-N 0 1 386.414 3.010 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000911566386 982506186 /nfs/dbraw/zinc/50/61/86/982506186.db2.gz DKYJPUUHQCXLRD-HOTGVXAUSA-N 0 1 386.414 3.010 20 0 GGADMN CCC[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000911567826 982507400 /nfs/dbraw/zinc/50/74/00/982507400.db2.gz GYUWCVIMXUHXLO-OAQYLSRUSA-N 0 1 380.488 3.440 20 0 GGADMN C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911589038 982518894 /nfs/dbraw/zinc/51/88/94/982518894.db2.gz COJFGIQVACPLSJ-UTKZUKDTSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911590653 982522279 /nfs/dbraw/zinc/52/22/79/982522279.db2.gz LUSVHAGBVJDOJU-OMMZEQHOSA-N 0 1 384.520 3.438 20 0 GGADMN Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000911593295 982525277 /nfs/dbraw/zinc/52/52/77/982525277.db2.gz XXRLEXVMZIQXFF-GOSISDBHSA-N 0 1 384.501 3.041 20 0 GGADMN Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000911593295 982525282 /nfs/dbraw/zinc/52/52/82/982525282.db2.gz XXRLEXVMZIQXFF-GOSISDBHSA-N 0 1 384.501 3.041 20 0 GGADMN O=C([O-])Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000911593330 982525455 /nfs/dbraw/zinc/52/54/55/982525455.db2.gz AEUNJFNPHPEKER-FCHUYYIVSA-N 0 1 392.499 3.440 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000911593422 982525534 /nfs/dbraw/zinc/52/55/34/982525534.db2.gz YRRLBKOABITPJN-FQEVSTJZSA-N 0 1 398.528 3.051 20 0 GGADMN O=C([O-])Cc1occc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000911593907 982526486 /nfs/dbraw/zinc/52/64/86/982526486.db2.gz IUWBHONJNGYRNY-MJGOQNOKSA-N 0 1 382.460 3.033 20 0 GGADMN CCCCOc1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC001595774444 982532453 /nfs/dbraw/zinc/53/24/53/982532453.db2.gz SLTDPAPXHZMUFK-CQSZACIVSA-N 0 1 382.888 3.140 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000911608593 982536671 /nfs/dbraw/zinc/53/66/71/982536671.db2.gz OTBHQCWQMMYAES-IEBWSBKVSA-N 0 1 384.520 3.438 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C[N@H+]1Cc1ccccc1 ZINC000911609788 982538057 /nfs/dbraw/zinc/53/80/57/982538057.db2.gz RPFOSBYYGUWVIX-POEPRGHXSA-N 0 1 384.520 3.438 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000911614530 982544142 /nfs/dbraw/zinc/54/41/42/982544142.db2.gz ZOJFZGIFBVIVPB-GOSISDBHSA-N 0 1 384.476 3.247 20 0 GGADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C(=O)[O-])c(C)n1C ZINC001594930921 982556525 /nfs/dbraw/zinc/55/65/25/982556525.db2.gz CKCKAPSSOQWRTB-KSFYIVLOSA-N 0 1 398.551 3.468 20 0 GGADMN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001594930921 982556534 /nfs/dbraw/zinc/55/65/34/982556534.db2.gz CKCKAPSSOQWRTB-KSFYIVLOSA-N 0 1 398.551 3.468 20 0 GGADMN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001594930921 982556538 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/nfs/dbraw/zinc/64/17/28/982641728.db2.gz DXTDXPGOERVNHE-RYGJVYDSSA-N 0 1 384.451 3.021 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2)C[C@H](C)O1 ZINC000914779019 982659340 /nfs/dbraw/zinc/65/93/40/982659340.db2.gz WSTCIKTTZMVELP-KBPBESRZSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000914861643 982661443 /nfs/dbraw/zinc/66/14/43/982661443.db2.gz CRMLYDFMWIBKFI-IRXDYDNUSA-N 0 1 396.487 3.266 20 0 GGADMN CC[C@@H](C)C[C@H]([NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001594952732 982672815 /nfs/dbraw/zinc/67/28/15/982672815.db2.gz JFMGPTNGCKYWQK-OCCSQVGLSA-N 0 1 397.541 3.415 20 0 GGADMN CCCN(C(=O)CCc1ocnc1C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001595816455 982673260 /nfs/dbraw/zinc/67/32/60/982673260.db2.gz KSXPNOVLIJBIEI-SFHVURJKSA-N 0 1 399.491 3.209 20 0 GGADMN CCCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC001595821132 982688064 /nfs/dbraw/zinc/68/80/64/982688064.db2.gz JMWWDLSYFSBHQZ-LBPRGKRZSA-N 0 1 398.301 3.404 20 0 GGADMN CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594960776 982712055 /nfs/dbraw/zinc/71/20/55/982712055.db2.gz NDIXXATWWHSVNT-RHSMWYFYSA-N 0 1 389.475 3.045 20 0 GGADMN CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594960775 982712313 /nfs/dbraw/zinc/71/23/13/982712313.db2.gz NDIXXATWWHSVNT-PBHICJAKSA-N 0 1 389.475 3.045 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C(=O)[O-])sc3C)CC2)cs1 ZINC000923091703 982717257 /nfs/dbraw/zinc/71/72/57/982717257.db2.gz GSSPJELLOVSZBH-UHFFFAOYSA-N 0 1 379.507 3.370 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594967047 982725510 /nfs/dbraw/zinc/72/55/10/982725510.db2.gz IKHSEUIHUZLKJG-BXUZGUMPSA-N 0 1 375.391 3.018 20 0 GGADMN CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595836045 982741600 /nfs/dbraw/zinc/74/16/00/982741600.db2.gz ZSNGXNYEVFFRCU-UHFFFAOYSA-N 0 1 386.290 3.389 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836653 982743667 /nfs/dbraw/zinc/74/36/67/982743667.db2.gz HCYUFVXXKWMDCE-XYPHTWIQSA-N 0 1 381.904 3.085 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595836707 982744886 /nfs/dbraw/zinc/74/48/86/982744886.db2.gz KDBXAWNDLNVWAQ-QGZVFWFLSA-N 0 1 375.856 3.246 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595836711 982744923 /nfs/dbraw/zinc/74/49/23/982744923.db2.gz KLASNXMSPVVTGZ-AWEZNQCLSA-N 0 1 381.885 3.308 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837098 982746280 /nfs/dbraw/zinc/74/62/80/982746280.db2.gz UQJWPYMXIDCFIG-IRXDYDNUSA-N 0 1 381.904 3.372 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837099 982746768 /nfs/dbraw/zinc/74/67/68/982746768.db2.gz UQJWPYMXIDCFIG-SJORKVTESA-N 0 1 381.904 3.372 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001595839226 982750968 /nfs/dbraw/zinc/75/09/68/982750968.db2.gz KEHVPSRHHRKCJV-OAHLLOKOSA-N 0 1 379.526 3.449 20 0 GGADMN CCC[N@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H](C)c1ccccc1OC ZINC001595846205 982771713 /nfs/dbraw/zinc/77/17/13/982771713.db2.gz NLYROOCFPRDKQD-ZDUSSCGKSA-N 0 1 391.493 3.191 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H](C)c1ccccc1OC ZINC001595846205 982771722 /nfs/dbraw/zinc/77/17/22/982771722.db2.gz NLYROOCFPRDKQD-ZDUSSCGKSA-N 0 1 391.493 3.191 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595862817 982800528 /nfs/dbraw/zinc/80/05/28/982800528.db2.gz MFUZCMRXHBLXEE-QGZVFWFLSA-N 0 1 382.382 3.356 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001595863269 982808583 /nfs/dbraw/zinc/80/85/83/982808583.db2.gz ZKSSXPSWMHSGKQ-OCCSQVGLSA-N 0 1 392.443 3.387 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC001595863271 982808807 /nfs/dbraw/zinc/80/88/07/982808807.db2.gz ZKSSXPSWMHSGKQ-TZMCWYRMSA-N 0 1 392.443 3.387 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC001594986747 982818061 /nfs/dbraw/zinc/81/80/61/982818061.db2.gz HXGABSMCVKFMFM-OFDAHSHWSA-N 0 1 387.524 3.464 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172869 982821633 /nfs/dbraw/zinc/82/16/33/982821633.db2.gz DNHPSTLBYHTEMA-WOJBJXKFSA-N 0 1 387.524 3.081 20 0 GGADMN CCC[N@@H+](CC)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001595866892 982829055 /nfs/dbraw/zinc/82/90/55/982829055.db2.gz DRIJDKPGGRWSPV-GOSISDBHSA-N 0 1 391.560 3.044 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595867620 982836914 /nfs/dbraw/zinc/83/69/14/982836914.db2.gz TYZFUJXKTIYSJZ-OCCSQVGLSA-N 0 1 382.530 3.117 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001595867783 982839516 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/nfs/dbraw/zinc/86/04/24/982860424.db2.gz CGDVTTLSSGICLO-LEWJYISDSA-N 0 1 394.471 3.247 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000923530373 982860558 /nfs/dbraw/zinc/86/05/58/982860558.db2.gz YMBDLSJDEJVJEP-LATRNWQMSA-N 0 1 384.520 3.174 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC001595885715 982908518 /nfs/dbraw/zinc/90/85/18/982908518.db2.gz COTUUDPIHGFMQU-MRXNPFEDSA-N 0 1 377.462 3.044 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC001595885715 982908528 /nfs/dbraw/zinc/90/85/28/982908528.db2.gz COTUUDPIHGFMQU-MRXNPFEDSA-N 0 1 377.462 3.044 20 0 GGADMN CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001595887694 982914824 /nfs/dbraw/zinc/91/48/24/982914824.db2.gz BLEDQJXNHAMHAI-SFHVURJKSA-N 0 1 386.414 3.073 20 0 GGADMN CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001595887693 982915459 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NQNYWKDOUIYJEZ-BEVDRBHNSA-N 0 1 398.507 3.061 20 0 GGADMN CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC001119645122 983012844 /nfs/dbraw/zinc/01/28/44/983012844.db2.gz NQNYWKDOUIYJEZ-YSSFQJQWSA-N 0 1 398.507 3.061 20 0 GGADMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC001595915732 983018677 /nfs/dbraw/zinc/01/86/77/983018677.db2.gz FMZKANGUOKJBJI-LBPRGKRZSA-N 0 1 378.469 3.477 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001596008856 983268480 /nfs/dbraw/zinc/26/84/80/983268480.db2.gz QAPIOABIKBPDFT-WIYYLYMNSA-N 0 1 397.519 3.196 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001596008882 983269224 /nfs/dbraw/zinc/26/92/24/983269224.db2.gz RLPZEXJVKIUJDB-SJLPKXTDSA-N 0 1 381.476 3.454 20 0 GGADMN CCC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001596018254 983280228 /nfs/dbraw/zinc/28/02/28/983280228.db2.gz CWFMTIZJMLVNOC-ZFGGDYGUSA-N 0 1 394.515 3.446 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[NH2+][C@](C)(CCF)C(=O)[O-])n2)cc1 ZINC001596058302 983365004 /nfs/dbraw/zinc/36/50/04/983365004.db2.gz IWHSOFWRMFRMSM-LJQANCHMSA-N 0 1 393.484 3.494 20 0 GGADMN CCN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596148838 983505808 /nfs/dbraw/zinc/50/58/08/983505808.db2.gz DISHGXBHYMNQFU-LJQANCHMSA-N 0 1 387.524 3.328 20 0 GGADMN CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596151346 983511682 /nfs/dbraw/zinc/51/16/82/983511682.db2.gz VCHNPYCLKMYWTK-FQEVSTJZSA-N 0 1 381.476 3.442 20 0 GGADMN CCN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596151432 983512714 /nfs/dbraw/zinc/51/27/14/983512714.db2.gz XZJYMTLDCWFMHO-QAPCUYQASA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cn1 ZINC001596194940 983578119 /nfs/dbraw/zinc/57/81/19/983578119.db2.gz ZIIVHCCEPFWRLC-DLBZAZTESA-N 0 1 375.419 3.116 20 0 GGADMN CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596201426 983586026 /nfs/dbraw/zinc/58/60/26/983586026.db2.gz BOVPCYVKDLZBKG-LJQANCHMSA-N 0 1 386.517 3.407 20 0 GGADMN CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596201426 983586027 /nfs/dbraw/zinc/58/60/27/983586027.db2.gz BOVPCYVKDLZBKG-LJQANCHMSA-N 0 1 386.517 3.407 20 0 GGADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC001596201986 983587690 /nfs/dbraw/zinc/58/76/90/983587690.db2.gz OXJKHHQKYJGEPN-BEFAXECRSA-N 0 1 386.517 3.039 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596209314 983599006 /nfs/dbraw/zinc/59/90/06/983599006.db2.gz DINVGSFWAHUOMC-GFCCVEGCSA-N 0 1 386.370 3.113 20 0 GGADMN CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596209314 983599010 /nfs/dbraw/zinc/59/90/10/983599010.db2.gz DINVGSFWAHUOMC-GFCCVEGCSA-N 0 1 386.370 3.113 20 0 GGADMN CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596228956 983620874 /nfs/dbraw/zinc/62/08/74/983620874.db2.gz YONUEBPHYKSCAJ-SJLPKXTDSA-N 0 1 383.492 3.361 20 0 GGADMN CC[NH+](CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])nn1C)c1cccc(C(F)(F)F)c1 ZINC001596253673 983658384 /nfs/dbraw/zinc/65/83/84/983658384.db2.gz FJYPIZGYAYKZQH-OAHLLOKOSA-N 0 1 398.385 3.159 20 0 GGADMN CC[NH+](CC)[C@H](C(=O)Nc1ccnc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC001596253891 983659422 /nfs/dbraw/zinc/65/94/22/983659422.db2.gz PICPPSZNZTXVJP-AWEZNQCLSA-N 0 1 396.369 3.215 20 0 GGADMN CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001596277308 983697777 /nfs/dbraw/zinc/69/77/77/983697777.db2.gz GEDXDYYCMVEVFA-UHFFFAOYSA-N 0 1 380.441 3.167 20 0 GGADMN CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC001596277220 983698008 /nfs/dbraw/zinc/69/80/08/983698008.db2.gz BCJHZKQHACPYOA-UHFFFAOYSA-N 0 1 392.477 3.036 20 0 GGADMN CC[N@@H+](Cc1cccs1)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001596292255 983712011 /nfs/dbraw/zinc/71/20/11/983712011.db2.gz GCAWLAUBWKYGGA-GOSISDBHSA-N 0 1 385.489 3.305 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001596298619 983721565 /nfs/dbraw/zinc/72/15/65/983721565.db2.gz PJLSDIQNPNBUFT-SFHVURJKSA-N 0 1 396.491 3.464 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596299008 983722761 /nfs/dbraw/zinc/72/27/61/983722761.db2.gz YIOFGLCJDUQVMK-KRWDZBQOSA-N 0 1 382.464 3.156 20 0 GGADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001596314728 983745845 /nfs/dbraw/zinc/74/58/45/983745845.db2.gz GNBVEEPQSGXNST-HNNXBMFYSA-N 0 1 380.485 3.134 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)CC1)CC1CC1 ZINC001596320633 983751183 /nfs/dbraw/zinc/75/11/83/983751183.db2.gz FSHWHCOJXWZZMQ-UHFFFAOYSA-N 0 1 388.512 3.454 20 0 GGADMN CC[N@@H+](CCCNC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1 ZINC001596327216 983762639 /nfs/dbraw/zinc/76/26/39/983762639.db2.gz UJYXYGNGJJOLTL-KRWDZBQOSA-N 0 1 393.450 3.080 20 0 GGADMN CC[N@@H+](CCNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CCC(F)(F)F ZINC001596334453 983776413 /nfs/dbraw/zinc/77/64/13/983776413.db2.gz KXSLKCHYXIZWSD-UHFFFAOYSA-N 0 1 375.391 3.397 20 0 GGADMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596335355 983780620 /nfs/dbraw/zinc/78/06/20/983780620.db2.gz MXGHHTYNMSYPHK-UHFFFAOYSA-N 0 1 393.459 3.362 20 0 GGADMN CC[N@@H+](CCOc1cccc(C(=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001596345406 983793920 /nfs/dbraw/zinc/79/39/20/983793920.db2.gz IFNFJXOHFMBNOF-INIZCTEOSA-N 0 1 378.469 3.095 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)cc1)C(C)C ZINC001596356158 983822925 /nfs/dbraw/zinc/82/29/25/983822925.db2.gz HNIVJGXHULGWLL-QFIPXVFZSA-N 0 1 383.492 3.432 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001596356192 983823346 /nfs/dbraw/zinc/82/33/46/983823346.db2.gz KMIGLGXWQFZKJM-UHFFFAOYSA-N 0 1 398.503 3.491 20 0 GGADMN CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001596371335 983868102 /nfs/dbraw/zinc/86/81/02/983868102.db2.gz NQZURGKSVJZJAQ-AWEZNQCLSA-N 0 1 384.432 3.021 20 0 GGADMN CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001596371336 983868396 /nfs/dbraw/zinc/86/83/96/983868396.db2.gz NQZURGKSVJZJAQ-CQSZACIVSA-N 0 1 384.432 3.021 20 0 GGADMN CC[N@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001596378123 983893126 /nfs/dbraw/zinc/89/31/26/983893126.db2.gz MVGQTCNKSZVUND-AWEZNQCLSA-N 0 1 388.468 3.092 20 0 GGADMN CC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001596378123 983893131 /nfs/dbraw/zinc/89/31/31/983893131.db2.gz MVGQTCNKSZVUND-AWEZNQCLSA-N 0 1 388.468 3.092 20 0 GGADMN CCN1C[C@@H](C[N@@H+](C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396056 983939012 /nfs/dbraw/zinc/93/90/12/983939012.db2.gz MUSXGILXNCBRGX-VQIMIIECSA-N 0 1 384.476 3.258 20 0 GGADMN CCN1C[C@H](C[N@@H+](C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396054 983939054 /nfs/dbraw/zinc/93/90/54/983939054.db2.gz MUSXGILXNCBRGX-LPHOPBHVSA-N 0 1 384.476 3.258 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C[C@H]1C ZINC001596396592 983942183 /nfs/dbraw/zinc/94/21/83/983942183.db2.gz VFEHVDJYSHDBHF-VXGBXAGGSA-N 0 1 398.301 3.402 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)C[C@H]1C ZINC001596402892 983958419 /nfs/dbraw/zinc/95/84/19/983958419.db2.gz CEXBVRDZGNUGET-OCCSQVGLSA-N 0 1 399.438 3.365 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H](C)C1 ZINC001596403811 983968827 /nfs/dbraw/zinc/96/88/27/983968827.db2.gz NTQRRIWOPAIJND-PBHICJAKSA-N 0 1 379.526 3.447 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@@H]1C ZINC001596407222 983976191 /nfs/dbraw/zinc/97/61/91/983976191.db2.gz BGXCUAWMIXPFTA-YOEHRIQHSA-N 0 1 390.505 3.031 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(C(=O)[O-])cc2Br)[C@@H](C)C1 ZINC001596407176 983976285 /nfs/dbraw/zinc/97/62/85/983976285.db2.gz AEHZJCPUDUTJNT-LRDDRELGSA-N 0 1 399.329 3.318 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC001596408514 983983913 /nfs/dbraw/zinc/98/39/13/983983913.db2.gz NOMRDYNXCAQOIE-GFCCVEGCSA-N 0 1 398.301 3.404 20 0 GGADMN CCN(C(=O)Nc1cccc(C(=O)[O-])c1Br)[C@@H]1CC[N@@H+](CC)C1 ZINC001596408500 983984108 /nfs/dbraw/zinc/98/41/08/983984108.db2.gz NJUQYWDLQAVRIN-LLVKDONJSA-N 0 1 384.274 3.095 20 0 GGADMN CCN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC001596408525 983984218 /nfs/dbraw/zinc/98/42/18/983984218.db2.gz NQCDJXMFHWNUIY-LBPRGKRZSA-N 0 1 384.274 3.095 20 0 GGADMN CC[NH+]1CCC(N2CCCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)CC1 ZINC001596409318 983991462 /nfs/dbraw/zinc/99/14/62/983991462.db2.gz MZPPWWBYJUSISJ-IBGZPJMESA-N 0 1 397.922 3.097 20 0 GGADMN CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001596415049 984016949 /nfs/dbraw/zinc/01/69/49/984016949.db2.gz FTPWEWSTROKNHB-NSHDSACASA-N 0 1 384.274 3.001 20 0 GGADMN CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001596415047 984017698 /nfs/dbraw/zinc/01/76/98/984017698.db2.gz FTPWEWSTROKNHB-LLVKDONJSA-N 0 1 384.274 3.001 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001596415720 984027391 /nfs/dbraw/zinc/02/73/91/984027391.db2.gz OCVIHLWEDPLLKQ-NEPJUHHUSA-N 0 1 396.285 3.238 20 0 GGADMN CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC001596434184 984109854 /nfs/dbraw/zinc/10/98/54/984109854.db2.gz KVGLHVUIITYEGS-UHFFFAOYSA-N 0 1 398.507 3.076 20 0 GGADMN CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001596434840 984114754 /nfs/dbraw/zinc/11/47/54/984114754.db2.gz ZAVRTOZLYCUTRN-UHFFFAOYSA-N 0 1 385.508 3.151 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3c(F)cccc3C(=O)[O-])cc2F)CC1 ZINC001596438200 984126039 /nfs/dbraw/zinc/12/60/39/984126039.db2.gz AOOWDIKRJQNPQI-UHFFFAOYSA-N 0 1 389.402 3.057 20 0 GGADMN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596457139 984166978 /nfs/dbraw/zinc/16/69/78/984166978.db2.gz OICLZRBKOCYJDP-QGZVFWFLSA-N 0 1 387.505 3.389 20 0 GGADMN CCOC(=O)C1(CC(F)F)CC[NH+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001596549661 984405653 /nfs/dbraw/zinc/40/56/53/984405653.db2.gz CRAFIXQNBQIECA-UHFFFAOYSA-N 0 1 384.423 3.391 20 0 GGADMN CCOC(=O)C1(CC(F)F)CC[NH+](Cc2cc(C(=O)[O-])ccc2OC)CC1 ZINC001596550757 984410290 /nfs/dbraw/zinc/41/02/90/984410290.db2.gz ZCUXRSKKEMRYHD-UHFFFAOYSA-N 0 1 385.407 3.194 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001596551133 984411951 /nfs/dbraw/zinc/41/19/51/984411951.db2.gz FSLDKZPFEVDDPX-LJQANCHMSA-N 0 1 383.872 3.328 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001596553161 984420868 /nfs/dbraw/zinc/42/08/68/984420868.db2.gz UGAFBUZBEYZHBB-OAQYLSRUSA-N 0 1 390.455 3.427 20 0 GGADMN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001596553405 984422509 /nfs/dbraw/zinc/42/25/09/984422509.db2.gz WPDDCRZSSBLGOM-UHFFFAOYSA-N 0 1 377.334 3.232 20 0 GGADMN CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001596602057 984561203 /nfs/dbraw/zinc/56/12/03/984561203.db2.gz RMACTJNYVNEGCA-CQSZACIVSA-N 0 1 396.509 3.057 20 0 GGADMN CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001596602057 984561207 /nfs/dbraw/zinc/56/12/07/984561207.db2.gz RMACTJNYVNEGCA-CQSZACIVSA-N 0 1 396.509 3.057 20 0 GGADMN CCOC(=O)CCCCC[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001596603998 984567599 /nfs/dbraw/zinc/56/75/99/984567599.db2.gz VJABRPBJFDCVPX-MRXNPFEDSA-N 0 1 398.297 3.384 20 0 GGADMN C/C(=C/C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccccc1C(F)(F)F ZINC001588937637 984617869 /nfs/dbraw/zinc/61/78/69/984617869.db2.gz NQKAKTTZHRZWQR-YBEMTRGBSA-N 0 1 384.398 3.116 20 0 GGADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001596692035 984812087 /nfs/dbraw/zinc/81/20/87/984812087.db2.gz TXBZKZGGTMYOQQ-SFHVURJKSA-N 0 1 388.464 3.107 20 0 GGADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](C)[C@H](COC1CCC1)C(=O)[O-] ZINC001596692034 984813026 /nfs/dbraw/zinc/81/30/26/984813026.db2.gz TXBZKZGGTMYOQQ-GOSISDBHSA-N 0 1 388.464 3.107 20 0 GGADMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC001599901136 984828724 /nfs/dbraw/zinc/82/87/24/984828724.db2.gz SUXLZHSYCFTDDX-MGPLVRAMSA-N 0 1 385.844 3.359 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1)C(=O)NCCc1ccccc1 ZINC001599901317 984834715 /nfs/dbraw/zinc/83/47/15/984834715.db2.gz JALRMFBWSPHRMO-INIZCTEOSA-N 0 1 392.455 3.482 20 0 GGADMN CCOC(=O)c1c(C)onc1C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001596697897 984866263 /nfs/dbraw/zinc/86/62/63/984866263.db2.gz ZCGJDYRGSORIMB-LSDHHAIUSA-N 0 1 392.839 3.113 20 0 GGADMN CCOC(=O)c1c(C)onc1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001596697897 984866277 /nfs/dbraw/zinc/86/62/77/984866277.db2.gz ZCGJDYRGSORIMB-LSDHHAIUSA-N 0 1 392.839 3.113 20 0 GGADMN CCOC(=O)c1cc(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)[nH]c1C ZINC001596704024 984899533 /nfs/dbraw/zinc/89/95/33/984899533.db2.gz NCZKIZXSADAEGV-INIZCTEOSA-N 0 1 384.354 3.175 20 0 GGADMN CCOC(=O)c1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)[nH]c1C ZINC001596704024 984899550 /nfs/dbraw/zinc/89/95/50/984899550.db2.gz NCZKIZXSADAEGV-INIZCTEOSA-N 0 1 384.354 3.175 20 0 GGADMN CCOC(=O)c1cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC001596704244 984903376 /nfs/dbraw/zinc/90/33/76/984903376.db2.gz XWUVLJNSQBAYSK-CQSZACIVSA-N 0 1 386.235 3.151 20 0 GGADMN CCOC(=O)c1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC001596704244 984903380 /nfs/dbraw/zinc/90/33/80/984903380.db2.gz XWUVLJNSQBAYSK-CQSZACIVSA-N 0 1 386.235 3.151 20 0 GGADMN C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001588995540 984925276 /nfs/dbraw/zinc/92/52/76/984925276.db2.gz MEYZALRWBVOHQN-XSNHNAGMSA-N 0 1 385.291 3.404 20 0 GGADMN CCOC(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)[nH]1 ZINC001596720768 984965164 /nfs/dbraw/zinc/96/51/64/984965164.db2.gz OXIPSEYXHCJINV-HNNXBMFYSA-N 0 1 395.253 3.212 20 0 GGADMN CCOC(=O)c1cccc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)n1 ZINC001596728082 984985338 /nfs/dbraw/zinc/98/53/38/984985338.db2.gz BNZNZMDLVKLOAV-UHFFFAOYSA-N 0 1 378.375 3.013 20 0 GGADMN CCOC(=O)c1cccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)n1 ZINC001596728082 984985342 /nfs/dbraw/zinc/98/53/42/984985342.db2.gz BNZNZMDLVKLOAV-UHFFFAOYSA-N 0 1 378.375 3.013 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@]1(C)C(=O)[O-] ZINC001599919179 985105601 /nfs/dbraw/zinc/10/56/01/985105601.db2.gz HWLAMPLUGZLELB-JLMWRMLUSA-N 0 1 387.524 3.041 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)nc1C ZINC001596756103 985133381 /nfs/dbraw/zinc/13/33/81/985133381.db2.gz MPMWBUDEMFQCLU-ZDUSSCGKSA-N 0 1 392.452 3.455 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccccc3CC(=O)[O-])C2)nc1C ZINC001596756303 985134932 /nfs/dbraw/zinc/13/49/32/985134932.db2.gz QGRATDDFLIHVGC-INIZCTEOSA-N 0 1 388.489 3.245 20 0 GGADMN CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001596761134 985150616 /nfs/dbraw/zinc/15/06/16/985150616.db2.gz QOPBIDIPNWVQAA-BXUZGUMPSA-N 0 1 395.452 3.281 20 0 GGADMN CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001596761328 985151756 /nfs/dbraw/zinc/15/17/56/985151756.db2.gz QOPBIDIPNWVQAA-RISCZKNCSA-N 0 1 395.452 3.281 20 0 GGADMN CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001589065197 985194759 /nfs/dbraw/zinc/19/47/59/985194759.db2.gz MCIBCLZOIKVMJD-UHFFFAOYSA-N 0 1 387.505 3.163 20 0 GGADMN CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001589072986 985223257 /nfs/dbraw/zinc/22/32/57/985223257.db2.gz VJKGJXRMXVOKTR-CZUORRHYSA-N 0 1 379.526 3.405 20 0 GGADMN C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001599927631 985231994 /nfs/dbraw/zinc/23/19/94/985231994.db2.gz XYFWSERKGGKMKK-ZDUSSCGKSA-N 0 1 399.516 3.214 20 0 GGADMN C[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001599927631 985232008 /nfs/dbraw/zinc/23/20/08/985232008.db2.gz XYFWSERKGGKMKK-ZDUSSCGKSA-N 0 1 399.516 3.214 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@]1(C)C(=O)[O-] ZINC001599927842 985237765 /nfs/dbraw/zinc/23/77/65/985237765.db2.gz KYHMTWCMEAYRSU-DJJJIMSYSA-N 0 1 398.425 3.239 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC[C@H]1C(=O)[O-] ZINC001599927794 985237977 /nfs/dbraw/zinc/23/79/77/985237977.db2.gz HXXKEGZHYHKZGH-BOUXLOLZSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599927832 985238661 /nfs/dbraw/zinc/23/86/61/985238661.db2.gz KFTVDPZOXHRZIO-ZKYUUJBMSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@H]1C[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001599927930 985241572 /nfs/dbraw/zinc/24/15/72/985241572.db2.gz UFPQOXMERFKRMB-KANYHAFZSA-N 0 1 390.705 3.353 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3ncc(C(=O)[O-])s3)cc2)C[C@H](C)O1 ZINC001599929350 985279475 /nfs/dbraw/zinc/27/94/75/985279475.db2.gz LOSLHLCMHAAKMM-GASCZTMLSA-N 0 1 389.521 3.083 20 0 GGADMN C[C@@H]1C[N@@H+](CCN(C)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)O1 ZINC001599929538 985284275 /nfs/dbraw/zinc/28/42/75/985284275.db2.gz BUVPGGWBLHHDOS-GASCZTMLSA-N 0 1 389.521 3.049 20 0 GGADMN C[C@@H]1C[N@H+](CCN(C)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)O1 ZINC001599929538 985284284 /nfs/dbraw/zinc/28/42/84/985284284.db2.gz BUVPGGWBLHHDOS-GASCZTMLSA-N 0 1 389.521 3.049 20 0 GGADMN C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H](C)[N@@H+]1C ZINC001599930562 985307315 /nfs/dbraw/zinc/30/73/15/985307315.db2.gz WADPWSIMCJGJTN-TXEJJXNPSA-N 0 1 397.306 3.402 20 0 GGADMN CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811164 985361523 /nfs/dbraw/zinc/36/15/23/985361523.db2.gz ONQHWRIYKHDUJK-KGLIPLIRSA-N 0 1 380.510 3.281 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811164 985361532 /nfs/dbraw/zinc/36/15/32/985361532.db2.gz ONQHWRIYKHDUJK-KGLIPLIRSA-N 0 1 380.510 3.281 20 0 GGADMN C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001599935383 985385232 /nfs/dbraw/zinc/38/52/32/985385232.db2.gz CGEHKFRMJYYJHU-HZMBPMFUSA-N 0 1 394.880 3.160 20 0 GGADMN C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001599935383 985385243 /nfs/dbraw/zinc/38/52/43/985385243.db2.gz CGEHKFRMJYYJHU-HZMBPMFUSA-N 0 1 394.880 3.160 20 0 GGADMN CC(=O)NCC[N@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC001589137642 985441338 /nfs/dbraw/zinc/44/13/38/985441338.db2.gz LOPMIKZNMXKNBA-UHFFFAOYSA-N 0 1 377.444 3.168 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594474973 985484542 /nfs/dbraw/zinc/48/45/42/985484542.db2.gz HYLJQFZYWMGTKY-HUUCEWRRSA-N 0 1 387.505 3.251 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943932 985491151 /nfs/dbraw/zinc/49/11/51/985491151.db2.gz GJCBIJUZPLTSAU-BMIGLBTASA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943932 985491157 /nfs/dbraw/zinc/49/11/57/985491157.db2.gz GJCBIJUZPLTSAU-BMIGLBTASA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943984 985492605 /nfs/dbraw/zinc/49/26/05/985492605.db2.gz MYXWPLFPFIXEEO-ZBFHGGJFSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943984 985492609 /nfs/dbraw/zinc/49/26/09/985492609.db2.gz MYXWPLFPFIXEEO-ZBFHGGJFSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C)c1C(=O)[O-] ZINC001599944236 985497191 /nfs/dbraw/zinc/49/71/91/985497191.db2.gz HOOCEQFWEBHKNJ-OAHLLOKOSA-N 0 1 399.495 3.253 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C)c1C(=O)[O-] ZINC001599944236 985497194 /nfs/dbraw/zinc/49/71/94/985497194.db2.gz HOOCEQFWEBHKNJ-OAHLLOKOSA-N 0 1 399.495 3.253 20 0 GGADMN Cc1[nH]c(C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c(C)c1C(=O)[O-] ZINC001599944446 985500705 /nfs/dbraw/zinc/50/07/05/985500705.db2.gz FOUDZORIFMAOCR-UHFFFAOYSA-N 0 1 388.489 3.138 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001594479044 985510968 /nfs/dbraw/zinc/51/09/68/985510968.db2.gz GKAGEHPINIWXOT-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594479044 985510975 /nfs/dbraw/zinc/51/09/75/985510975.db2.gz GKAGEHPINIWXOT-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594479563 985517664 /nfs/dbraw/zinc/51/76/64/985517664.db2.gz LSQQIQKVMAUGPY-IRXDYDNUSA-N 0 1 397.475 3.277 20 0 GGADMN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001589166883 985520095 /nfs/dbraw/zinc/52/00/95/985520095.db2.gz WMMFBNYDKZXVQH-CYBMUJFWSA-N 0 1 376.844 3.099 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945985 985528938 /nfs/dbraw/zinc/52/89/38/985528938.db2.gz QMEKLTHXCPLMKO-CVEARBPZSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945985 985528942 /nfs/dbraw/zinc/52/89/42/985528942.db2.gz QMEKLTHXCPLMKO-CVEARBPZSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599946265 985533819 /nfs/dbraw/zinc/53/38/19/985533819.db2.gz BZOVRRWVACRCJG-GJZGRUSLSA-N 0 1 397.519 3.259 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599946706 985539536 /nfs/dbraw/zinc/53/95/36/985539536.db2.gz FDZXFEYTVJAWJC-INIZCTEOSA-N 0 1 386.448 3.185 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c(C)c1C(=O)[O-] ZINC001599947620 985556251 /nfs/dbraw/zinc/55/62/51/985556251.db2.gz QYXRFHVVMHTUJO-QGZVFWFLSA-N 0 1 376.478 3.067 20 0 GGADMN Cc1[nH]c(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599949145 985578066 /nfs/dbraw/zinc/57/80/66/985578066.db2.gz BRILCPNRYQNYBR-SFHVURJKSA-N 0 1 383.492 3.456 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)c1C(=O)[O-] ZINC001599949940 985591061 /nfs/dbraw/zinc/59/10/61/985591061.db2.gz BDUDOMCVDIDYFN-QFIPXVFZSA-N 0 1 381.476 3.068 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3ccccc3cc2OC(F)F)CC[N@H+]1CCC(=O)[O-] ZINC001594489487 985592370 /nfs/dbraw/zinc/59/23/70/985592370.db2.gz PIZLGENYZZWFQW-CYBMUJFWSA-N 0 1 392.402 3.062 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC[N@@H+]1CCC(=O)[O-] ZINC001594489245 985592589 /nfs/dbraw/zinc/59/25/89/985592589.db2.gz OVUBCZYBHKYOMX-CQSZACIVSA-N 0 1 384.501 3.135 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC[N@H+]1CCC(=O)[O-] ZINC001594489245 985592595 /nfs/dbraw/zinc/59/25/95/985592595.db2.gz OVUBCZYBHKYOMX-CQSZACIVSA-N 0 1 384.501 3.135 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC[N@@H+]1CCC(=O)[O-] ZINC001594490078 985597737 /nfs/dbraw/zinc/59/77/37/985597737.db2.gz VBSWSFJODZPTGF-ZDUSSCGKSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC[N@H+]1CCC(=O)[O-] ZINC001594490078 985597754 /nfs/dbraw/zinc/59/77/54/985597754.db2.gz VBSWSFJODZPTGF-ZDUSSCGKSA-N 0 1 385.489 3.014 20 0 GGADMN CC(=O)Nc1ccc(C[NH+]2CCC(NCc3ccc(/C=C/C(=O)[O-])o3)CC2)cc1 ZINC001589191407 985599486 /nfs/dbraw/zinc/59/94/86/985599486.db2.gz HNFKIDWEJRKTHV-CMDGGOBGSA-N 0 1 397.475 3.090 20 0 GGADMN CCOC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC001596855539 985608977 /nfs/dbraw/zinc/60/89/77/985608977.db2.gz RPZQUFZPBOEQRA-GFCCVEGCSA-N 0 1 380.510 3.011 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594494732 985629851 /nfs/dbraw/zinc/62/98/51/985629851.db2.gz WBIZECQQFHZUSN-QGZVFWFLSA-N 0 1 388.508 3.267 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594494731 985630292 /nfs/dbraw/zinc/63/02/92/985630292.db2.gz WBIZECQQFHZUSN-KRWDZBQOSA-N 0 1 388.508 3.267 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)cc(=O)oc2c1 ZINC001589204198 985658603 /nfs/dbraw/zinc/65/86/03/985658603.db2.gz NGIWHBMEFGUYII-GBESFXJTSA-N 0 1 398.459 3.217 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001599954224 985659561 /nfs/dbraw/zinc/65/95/61/985659561.db2.gz CWEFELOOCWMRBB-GOSISDBHSA-N 0 1 383.492 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001599954260 985661044 /nfs/dbraw/zinc/66/10/44/985661044.db2.gz FLPUWDMFMYMLCR-JOCHJYFZSA-N 0 1 381.476 3.068 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccnc3c(C(=O)[O-])cccc13)CC2 ZINC001589205126 985667394 /nfs/dbraw/zinc/66/73/94/985667394.db2.gz FVIPVBAGCPQODW-UHFFFAOYSA-N 0 1 375.428 3.450 20 0 GGADMN C[C@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594500856 985680856 /nfs/dbraw/zinc/68/08/56/985680856.db2.gz LAMXAADJEPLRAU-GXFFZTMASA-N 0 1 384.320 3.400 20 0 GGADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594500856 985680861 /nfs/dbraw/zinc/68/08/61/985680861.db2.gz LAMXAADJEPLRAU-GXFFZTMASA-N 0 1 384.320 3.400 20 0 GGADMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594504937 985705232 /nfs/dbraw/zinc/70/52/32/985705232.db2.gz CASZIKSHIDSGLG-DJJJIMSYSA-N 0 1 396.447 3.176 20 0 GGADMN CC(=O)Nc1cccc2c1C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)CC2 ZINC001589215720 985709791 /nfs/dbraw/zinc/70/97/91/985709791.db2.gz ITUTTZXELQNDNQ-JXMROGBWSA-N 0 1 380.444 3.180 20 0 GGADMN CC(=O)Nc1cccc2c1C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001589215973 985712842 /nfs/dbraw/zinc/71/28/42/985712842.db2.gz PIYRHZTZIYMHPQ-UHFFFAOYSA-N 0 1 388.851 3.434 20 0 GGADMN CC(=O)Nc1cccc2c1C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001589215973 985712853 /nfs/dbraw/zinc/71/28/53/985712853.db2.gz PIYRHZTZIYMHPQ-UHFFFAOYSA-N 0 1 388.851 3.434 20 0 GGADMN C[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2Br)CC[N@H+](C2CCC2)C1 ZINC001594507991 985739606 /nfs/dbraw/zinc/73/96/06/985739606.db2.gz PJRZNYTZCIXBEX-CXAGYDPISA-N 0 1 381.314 3.381 20 0 GGADMN C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2Br)CC[N@H+](C2CCC2)C1 ZINC001594507993 985739738 /nfs/dbraw/zinc/73/97/38/985739738.db2.gz PJRZNYTZCIXBEX-DYVFJYSZSA-N 0 1 381.314 3.381 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508163 985742766 /nfs/dbraw/zinc/74/27/66/985742766.db2.gz DYABYRZYHFDIRC-JXJLXUTGSA-N 0 1 379.325 3.433 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508163 985742772 /nfs/dbraw/zinc/74/27/72/985742772.db2.gz DYABYRZYHFDIRC-JXJLXUTGSA-N 0 1 379.325 3.433 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508162 985743293 /nfs/dbraw/zinc/74/32/93/985743293.db2.gz DYABYRZYHFDIRC-ICGCDAGXSA-N 0 1 379.325 3.433 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508162 985743304 /nfs/dbraw/zinc/74/33/04/985743304.db2.gz DYABYRZYHFDIRC-ICGCDAGXSA-N 0 1 379.325 3.433 20 0 GGADMN C[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)Cc2ccccc21 ZINC001594508618 985753643 /nfs/dbraw/zinc/75/36/43/985753643.db2.gz IQQSCUGHBYXFPY-VFNWGFHPSA-N 0 1 391.471 3.341 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001599961676 985793522 /nfs/dbraw/zinc/79/35/22/985793522.db2.gz WIQDLUNKRCTHBU-NSHDSACASA-N 0 1 384.411 3.188 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001594513670 985803365 /nfs/dbraw/zinc/80/33/65/985803365.db2.gz NFTKBQZGGFSVEG-CYBMUJFWSA-N 0 1 399.318 3.423 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001594513763 985806650 /nfs/dbraw/zinc/80/66/50/985806650.db2.gz PEHBOXHRAAGGAY-OAHLLOKOSA-N 0 1 378.900 3.159 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1C(=O)[O-] ZINC001599962253 985807765 /nfs/dbraw/zinc/80/77/65/985807765.db2.gz FDZYKGBQSZYTTI-KRWDZBQOSA-N 0 1 385.464 3.160 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C1(Sc2ccccc2)CCCC1 ZINC001594513859 985811320 /nfs/dbraw/zinc/81/13/20/985811320.db2.gz QPCSKFGEXXFCAH-INIZCTEOSA-N 0 1 376.522 3.099 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(Sc2ccccc2)CCCC1 ZINC001594513859 985811334 /nfs/dbraw/zinc/81/13/34/985811334.db2.gz QPCSKFGEXXFCAH-INIZCTEOSA-N 0 1 376.522 3.099 20 0 GGADMN Cc1[nH]c(C[NH+]2CCN(c3cccc(Br)c3)CC2)cc1C(=O)[O-] ZINC001599963635 985850091 /nfs/dbraw/zinc/85/00/91/985850091.db2.gz SLQGNFOBUPNKAI-UHFFFAOYSA-N 0 1 378.270 3.106 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC001594514715 985850533 /nfs/dbraw/zinc/85/05/33/985850533.db2.gz BKNCMZKTGODRPJ-BWDFOLQRSA-N 0 1 387.524 3.077 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC001594514855 985858318 /nfs/dbraw/zinc/85/83/18/985858318.db2.gz CULHRHBGORSJQU-KDOFPFPSSA-N 0 1 379.476 3.103 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC001599964055 985860324 /nfs/dbraw/zinc/86/03/24/985860324.db2.gz WCTZZNGNCHTKNW-UHFFFAOYSA-N 0 1 375.856 3.023 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC001599964055 985860341 /nfs/dbraw/zinc/86/03/41/985860341.db2.gz WCTZZNGNCHTKNW-UHFFFAOYSA-N 0 1 375.856 3.023 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001594515378 985875905 /nfs/dbraw/zinc/87/59/05/985875905.db2.gz HLUPSCWWFIFYNS-WIYYLYMNSA-N 0 1 395.503 3.161 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001594515622 985879524 /nfs/dbraw/zinc/87/95/24/985879524.db2.gz IYYHOOXSGBCNAS-YJBOKZPZSA-N 0 1 393.503 3.493 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001594515935 985890003 /nfs/dbraw/zinc/89/00/03/985890003.db2.gz LFYYMQDZMNMMTO-HFTRVMKXSA-N 0 1 393.915 3.167 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])sc2C)[C@H](C)C1 ZINC001596916552 985948233 /nfs/dbraw/zinc/94/82/33/985948233.db2.gz FEWXIRDXNXUUAC-OCCSQVGLSA-N 0 1 383.514 3.013 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)[C@@H](C)C1 ZINC001596916763 985950303 /nfs/dbraw/zinc/95/03/03/985950303.db2.gz JFDFQQOQKBYXNB-QANKJYHBSA-N 0 1 386.895 3.331 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])[C@H](C)C1 ZINC001596917057 985954042 /nfs/dbraw/zinc/95/40/42/985954042.db2.gz PHEASIXZIUUSJS-IUODEOHRSA-N 0 1 397.541 3.322 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])[C@@H](C)C1 ZINC001596917059 985955338 /nfs/dbraw/zinc/95/53/38/985955338.db2.gz PHEASIXZIUUSJS-SWLSCSKDSA-N 0 1 397.541 3.322 20 0 GGADMN CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)[O-])c3cccnc23)[C@@H](C)C1 ZINC001596917302 985959072 /nfs/dbraw/zinc/95/90/72/985959072.db2.gz VFUKBBXNECIQLF-JXFKEZNVSA-N 0 1 385.508 3.160 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001594520178 985972922 /nfs/dbraw/zinc/97/29/22/985972922.db2.gz MJUKNOZEWNIBLV-AWEZNQCLSA-N 0 1 394.899 3.282 20 0 GGADMN Cc1c(-c2cc(C[N@@H+]3CCCC[C@@H]3c3ccc(C(=O)[O-])n3C)on2)cnn1C ZINC001599969604 985980408 /nfs/dbraw/zinc/98/04/08/985980408.db2.gz LOJZQFGODAFHKS-GOSISDBHSA-N 0 1 383.452 3.147 20 0 GGADMN Cc1c(-c2cc(C[N@H+]3CCCC[C@@H]3c3ccc(C(=O)[O-])n3C)on2)cnn1C ZINC001599969604 985980425 /nfs/dbraw/zinc/98/04/25/985980425.db2.gz LOJZQFGODAFHKS-GOSISDBHSA-N 0 1 383.452 3.147 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=S)Nc1ccc(SC(F)F)cc1 ZINC001594522186 986000303 /nfs/dbraw/zinc/00/03/03/986000303.db2.gz MOPHMJMCTXROPN-LLVKDONJSA-N 0 1 389.493 3.179 20 0 GGADMN C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCO1 ZINC001594527338 986072403 /nfs/dbraw/zinc/07/24/03/986072403.db2.gz DFPGZNOURUMPQM-HNNXBMFYSA-N 0 1 385.464 3.160 20 0 GGADMN CCOCc1cc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(O)cc3)C2)ccc1OC ZINC001596946483 986098363 /nfs/dbraw/zinc/09/83/63/986098363.db2.gz RHSRNRPFEZBGTO-UXHICEINSA-N 0 1 385.460 3.238 20 0 GGADMN C[C@H]1CN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594532095 986129069 /nfs/dbraw/zinc/12/90/69/986129069.db2.gz TYXXQMVWMQJFQG-ADYPVZHUSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H]1C[N@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532095 986129078 /nfs/dbraw/zinc/12/90/78/986129078.db2.gz TYXXQMVWMQJFQG-ADYPVZHUSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532095 986129082 /nfs/dbraw/zinc/12/90/82/986129082.db2.gz TYXXQMVWMQJFQG-ADYPVZHUSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594535223 986146375 /nfs/dbraw/zinc/14/63/75/986146375.db2.gz MFFHYABCEVKHFF-HOCLYGCPSA-N 0 1 376.497 3.322 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC001594535818 986149655 /nfs/dbraw/zinc/14/96/55/986149655.db2.gz AZOAOIRAQONAPE-YRNRMSPPSA-N 0 1 383.444 3.279 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC001594535818 986149663 /nfs/dbraw/zinc/14/96/63/986149663.db2.gz AZOAOIRAQONAPE-YRNRMSPPSA-N 0 1 383.444 3.279 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538984 986169998 /nfs/dbraw/zinc/16/99/98/986169998.db2.gz QEHKJLMAIUXCTA-LLGFUMIMSA-N 0 1 397.471 3.149 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538984 986170002 /nfs/dbraw/zinc/17/00/02/986170002.db2.gz QEHKJLMAIUXCTA-LLGFUMIMSA-N 0 1 397.471 3.149 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594542067 986176448 /nfs/dbraw/zinc/17/64/48/986176448.db2.gz CDDWKGHQOQAXJR-FUHWJXTLSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594542201 986179446 /nfs/dbraw/zinc/17/94/46/986179446.db2.gz GHURTNJRJVQYST-GDBMZVCRSA-N 0 1 387.505 3.014 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594542204 986179880 /nfs/dbraw/zinc/17/98/80/986179880.db2.gz GHURTNJRJVQYST-ZBFHGGJFSA-N 0 1 387.505 3.014 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594542251 986181018 /nfs/dbraw/zinc/18/10/18/986181018.db2.gz IBHCWZXCFMRAKI-JXFKEZNVSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542936 986191322 /nfs/dbraw/zinc/19/13/22/986191322.db2.gz WGTIXAFJYBYKCK-SJKOYZFVSA-N 0 1 389.402 3.305 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)c2)C[C@@H](C)O1 ZINC001594543105 986192747 /nfs/dbraw/zinc/19/27/47/986192747.db2.gz YKKVSWNYZJJTBQ-VIGJRRFGSA-N 0 1 384.432 3.239 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594543089 986192837 /nfs/dbraw/zinc/19/28/37/986192837.db2.gz YCOWFFAQGJDIIZ-KXBFYZLASA-N 0 1 399.466 3.091 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)c2)C[C@@H](C)O1 ZINC001594543103 986193065 /nfs/dbraw/zinc/19/30/65/986193065.db2.gz YKKVSWNYZJJTBQ-UEDYQVLESA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594544222 986197339 /nfs/dbraw/zinc/19/73/39/986197339.db2.gz FMKMAMYREJEHER-MRXNPFEDSA-N 0 1 378.476 3.358 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594544472 986198967 /nfs/dbraw/zinc/19/89/67/986198967.db2.gz HKMFJCDDSSCGPP-PKOBYXMFSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594544585 986201030 /nfs/dbraw/zinc/20/10/30/986201030.db2.gz KSLAFCLVRWFYSK-KRWDZBQOSA-N 0 1 397.475 3.136 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001594545374 986207423 /nfs/dbraw/zinc/20/74/23/986207423.db2.gz QXIZOXKRGHEKJL-UWJYYQICSA-N 0 1 395.503 3.137 20 0 GGADMN CCO[C@@H]1C[N@H+]([C@H](C)c2cc(C)c(C(=O)[O-])o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001596975006 986211603 /nfs/dbraw/zinc/21/16/03/986211603.db2.gz RKSXHFBIVTYGBC-IIAWOOMASA-N 0 1 396.484 3.209 20 0 GGADMN Cc1c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cnn1-c1cc[nH+]cc1 ZINC001599985503 986221319 /nfs/dbraw/zinc/22/13/19/986221319.db2.gz VBXADNREFLWOGZ-UHFFFAOYSA-N 0 1 385.449 3.280 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CCN1C(=O)OC(C)(C)C ZINC001594548727 986240652 /nfs/dbraw/zinc/24/06/52/986240652.db2.gz XIYJNPFNIKGFEB-CQSZACIVSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CCN1C(=O)OC(C)(C)C ZINC001594548727 986240663 /nfs/dbraw/zinc/24/06/63/986240663.db2.gz XIYJNPFNIKGFEB-CQSZACIVSA-N 0 1 385.464 3.374 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC001589341789 986257330 /nfs/dbraw/zinc/25/73/30/986257330.db2.gz BEHUXGCAYWIFRT-AWEZNQCLSA-N 0 1 379.526 3.384 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001589352139 986321595 /nfs/dbraw/zinc/32/15/95/986321595.db2.gz HIYARORGYPYUIU-OAHLLOKOSA-N 0 1 382.460 3.016 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001589352139 986321604 /nfs/dbraw/zinc/32/16/04/986321604.db2.gz HIYARORGYPYUIU-OAHLLOKOSA-N 0 1 382.460 3.016 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC001594568604 986372288 /nfs/dbraw/zinc/37/22/88/986372288.db2.gz LGRLVUZROWVOBQ-GOSISDBHSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC001594568604 986372295 /nfs/dbraw/zinc/37/22/95/986372295.db2.gz LGRLVUZROWVOBQ-GOSISDBHSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001594568601 986372537 /nfs/dbraw/zinc/37/25/37/986372537.db2.gz JWOLBNUBLQGRBM-KBRIMQKVSA-N 0 1 386.414 3.395 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001594568601 986372548 /nfs/dbraw/zinc/37/25/48/986372548.db2.gz JWOLBNUBLQGRBM-KBRIMQKVSA-N 0 1 386.414 3.395 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1[C@@H]1CCCN(c2ccccc2)C1=O ZINC001594569592 986380873 /nfs/dbraw/zinc/38/08/73/986380873.db2.gz NAEDMCLKMPDLLV-LAUBAEHRSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1[C@@H]1CCCN(c2ccccc2)C1=O ZINC001594569592 986380884 /nfs/dbraw/zinc/38/08/84/986380884.db2.gz NAEDMCLKMPDLLV-LAUBAEHRSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1[C@@H]1CCCN(c2ccccc2)C1=O ZINC001594569590 986381690 /nfs/dbraw/zinc/38/16/90/986381690.db2.gz NAEDMCLKMPDLLV-DYESRHJHSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1[C@@H]1CCCN(c2ccccc2)C1=O ZINC001594569590 986381699 /nfs/dbraw/zinc/38/16/99/986381699.db2.gz NAEDMCLKMPDLLV-DYESRHJHSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001594569641 986381905 /nfs/dbraw/zinc/38/19/05/986381905.db2.gz NGPYZLQCOZQMAF-XMSQKQJNSA-N 0 1 379.504 3.170 20 0 GGADMN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1Cc1oncc1C(=O)[O-] ZINC001594569794 986384195 /nfs/dbraw/zinc/38/41/95/986384195.db2.gz QWYZVECCMRJYJO-RYUDHWBXSA-N 0 1 383.370 3.491 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001597017019 986390100 /nfs/dbraw/zinc/39/01/00/986390100.db2.gz QXVQXEHRKIJQHY-UHFFFAOYSA-N 0 1 383.448 3.133 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001597020740 986404705 /nfs/dbraw/zinc/40/47/05/986404705.db2.gz GGOXKFMCLKCCFE-QGZVFWFLSA-N 0 1 383.448 3.180 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001597021127 986408547 /nfs/dbraw/zinc/40/85/47/986408547.db2.gz TZBQTDGMOBBBFO-HNNXBMFYSA-N 0 1 377.485 3.417 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589373092 986420978 /nfs/dbraw/zinc/42/09/78/986420978.db2.gz AWZAUQJVFAAGLZ-HOOSLVGPSA-N 0 1 392.499 3.471 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030403 986443980 /nfs/dbraw/zinc/44/39/80/986443980.db2.gz AFZRUQZUCQZAEJ-WMLDXEAASA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031035 986447562 /nfs/dbraw/zinc/44/75/62/986447562.db2.gz HUWUTGNODYOMPQ-GDBMZVCRSA-N 0 1 389.448 3.301 20 0 GGADMN CCOc1cc(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc(Cl)c1O ZINC001597031141 986447583 /nfs/dbraw/zinc/44/75/83/986447583.db2.gz JEBAIFRAWWWPNU-IBGZPJMESA-N 0 1 383.872 3.026 20 0 GGADMN CCOc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033787 986465075 /nfs/dbraw/zinc/46/50/75/986465075.db2.gz PTVBQNLPGGYCJX-UHFFFAOYSA-N 0 1 399.447 3.321 20 0 GGADMN CCOc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033787 986465076 /nfs/dbraw/zinc/46/50/76/986465076.db2.gz PTVBQNLPGGYCJX-UHFFFAOYSA-N 0 1 399.447 3.321 20 0 GGADMN CCOc1cc(C[N@@H+](C)[C@@H]2CCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597034127 986467162 /nfs/dbraw/zinc/46/71/62/986467162.db2.gz WFKITIDDTJULME-OAHLLOKOSA-N 0 1 375.421 3.176 20 0 GGADMN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589389385 986503929 /nfs/dbraw/zinc/50/39/29/986503929.db2.gz ZMECYOLVRUXYLJ-ABSDTBQOSA-N 0 1 380.488 3.323 20 0 GGADMN CCOc1ccc(-c2nc(C[N@@H+]3[C@@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)co2)cc1 ZINC001597049478 986521631 /nfs/dbraw/zinc/52/16/31/986521631.db2.gz PNAIZEFDUREVCQ-BPQTVZERSA-N 0 1 386.448 3.335 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3[C@@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)co2)cc1 ZINC001597049478 986521636 /nfs/dbraw/zinc/52/16/36/986521636.db2.gz PNAIZEFDUREVCQ-BPQTVZERSA-N 0 1 386.448 3.335 20 0 GGADMN C[C@@H]1COCC[N@H+]1C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607778 986586767 /nfs/dbraw/zinc/58/67/67/986586767.db2.gz ZXYUZORUJQKOIQ-SJKOYZFVSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H]1COCCN1C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607778 986586772 /nfs/dbraw/zinc/58/67/72/986586772.db2.gz ZXYUZORUJQKOIQ-SJKOYZFVSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001589406754 986592925 /nfs/dbraw/zinc/59/29/25/986592925.db2.gz JAVZYMGYPLBPLU-CYBMUJFWSA-N 0 1 379.526 3.106 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC001597082027 986629646 /nfs/dbraw/zinc/62/96/46/986629646.db2.gz UZCQEPGSOUUQIN-LJQANCHMSA-N 0 1 376.497 3.182 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001597082192 986632530 /nfs/dbraw/zinc/63/25/30/986632530.db2.gz ZMHIEMQNGMCCCO-KNKQGSTJSA-N 0 1 386.492 3.078 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589424126 986687656 /nfs/dbraw/zinc/68/76/56/986687656.db2.gz YPESLKFXWSCJGS-IIAWOOMASA-N 0 1 387.505 3.287 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589424126 986687660 /nfs/dbraw/zinc/68/76/60/986687660.db2.gz YPESLKFXWSCJGS-IIAWOOMASA-N 0 1 387.505 3.287 20 0 GGADMN CCOc1ccc(C[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C(C)C)cc1 ZINC001597102122 986725308 /nfs/dbraw/zinc/72/53/08/986725308.db2.gz OJASYUBCUDZXFB-UNOMPAQXSA-N 0 1 392.521 3.187 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589434988 986741021 /nfs/dbraw/zinc/74/10/21/986741021.db2.gz BXPJYKJCIPDYEO-INIZCTEOSA-N 0 1 381.476 3.444 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589439005 986769570 /nfs/dbraw/zinc/76/95/70/986769570.db2.gz RPNPXUWUFWHLIW-DRSNIGMVSA-N 0 1 385.508 3.191 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001589439796 986778375 /nfs/dbraw/zinc/77/83/75/986778375.db2.gz KQDCKAOSYKNCNT-LBPRGKRZSA-N 0 1 391.468 3.262 20 0 GGADMN C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440414 986785498 /nfs/dbraw/zinc/78/54/98/986785498.db2.gz WPIULRSTRITQPQ-NEPJUHHUSA-N 0 1 377.441 3.187 20 0 GGADMN C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440414 986785509 /nfs/dbraw/zinc/78/55/09/986785509.db2.gz WPIULRSTRITQPQ-NEPJUHHUSA-N 0 1 377.441 3.187 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597113388 986786059 /nfs/dbraw/zinc/78/60/59/986786059.db2.gz RZFJQIDALJYTKC-HNNXBMFYSA-N 0 1 386.448 3.008 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597113388 986786069 /nfs/dbraw/zinc/78/60/69/986786069.db2.gz RZFJQIDALJYTKC-HNNXBMFYSA-N 0 1 386.448 3.008 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589444162 986794945 /nfs/dbraw/zinc/79/49/45/986794945.db2.gz FGDAMPHCLJGVOS-CQSZACIVSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589444162 986794957 /nfs/dbraw/zinc/79/49/57/986794957.db2.gz FGDAMPHCLJGVOS-CQSZACIVSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@H]1OCC[C@]12C[N@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001594642202 986803368 /nfs/dbraw/zinc/80/33/68/986803368.db2.gz HPGPHAUMVMWILT-HXOBKFHXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@H]1OCC[C@]12C[N@@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001594642202 986803375 /nfs/dbraw/zinc/80/33/75/986803375.db2.gz HPGPHAUMVMWILT-HXOBKFHXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001589444883 986805283 /nfs/dbraw/zinc/80/52/83/986805283.db2.gz SAMRJQXREBHKFR-ZKTNFTSUSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC001589445318 986811170 /nfs/dbraw/zinc/81/11/70/986811170.db2.gz ZDGSJIQMGBTQFQ-CWTRNNRKSA-N 0 1 391.468 3.463 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589445633 986814204 /nfs/dbraw/zinc/81/42/04/986814204.db2.gz UIPJJHPZXPSOPY-XEKQOVJPSA-N 0 1 382.407 3.192 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445687 986816056 /nfs/dbraw/zinc/81/60/56/986816056.db2.gz WMZWXRZWELSGIR-CQSZACIVSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445687 986816066 /nfs/dbraw/zinc/81/60/66/986816066.db2.gz WMZWXRZWELSGIR-CQSZACIVSA-N 0 1 375.428 3.318 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589449083 986833523 /nfs/dbraw/zinc/83/35/23/986833523.db2.gz YUAURDLHDPPQPC-FVQBIDKESA-N 0 1 395.484 3.424 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597172505 987003819 /nfs/dbraw/zinc/00/38/19/987003819.db2.gz FQPMFUUTUXDHDU-WMZOPIPTSA-N 0 1 390.524 3.475 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCC1 ZINC001589479347 987008074 /nfs/dbraw/zinc/00/80/74/987008074.db2.gz QRBMDNNIIKUXEW-SECBINFHSA-N 0 1 389.677 3.369 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCC1 ZINC001589479347 987008081 /nfs/dbraw/zinc/00/80/81/987008081.db2.gz QRBMDNNIIKUXEW-SECBINFHSA-N 0 1 389.677 3.369 20 0 GGADMN CCOc1ccccc1N1CC[NH+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001597178722 987028441 /nfs/dbraw/zinc/02/84/41/987028441.db2.gz QXXPCJDFYAZAJL-KRWDZBQOSA-N 0 1 384.476 3.259 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001589486596 987032305 /nfs/dbraw/zinc/03/23/05/987032305.db2.gz QIOBLEAUOCRPMA-DOMZBBRYSA-N 0 1 388.327 3.499 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001589486598 987032480 /nfs/dbraw/zinc/03/24/80/987032480.db2.gz QIOBLEAUOCRPMA-SWLSCSKDSA-N 0 1 388.327 3.499 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001589508001 987126748 /nfs/dbraw/zinc/12/67/48/987126748.db2.gz GOUUGZJVRBUOJB-KRWDZBQOSA-N 0 1 381.476 3.267 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001589510767 987136663 /nfs/dbraw/zinc/13/66/63/987136663.db2.gz VZHDSGJOGFMIPW-AHRSYUTCSA-N 0 1 393.487 3.470 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@]3(C(=O)[O-])CCCC(C)(C)C3)nc2c1 ZINC001597239736 987209193 /nfs/dbraw/zinc/20/91/93/987209193.db2.gz KNLGOXRNXCUAEW-IBGZPJMESA-N 0 1 394.493 3.135 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001589610845 987459286 /nfs/dbraw/zinc/45/92/86/987459286.db2.gz WCKKEXHMKOBXKK-FUHWJXTLSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC001589616179 987476155 /nfs/dbraw/zinc/47/61/55/987476155.db2.gz LSEGEGZZTFVKNW-GFCCVEGCSA-N 0 1 380.286 3.420 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC001589616179 987476158 /nfs/dbraw/zinc/47/61/58/987476158.db2.gz LSEGEGZZTFVKNW-GFCCVEGCSA-N 0 1 380.286 3.420 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC001589616741 987483610 /nfs/dbraw/zinc/48/36/10/987483610.db2.gz FIUGFBPUSDABTO-LLVKDONJSA-N 0 1 397.269 3.137 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC001589616741 987483613 /nfs/dbraw/zinc/48/36/13/987483613.db2.gz FIUGFBPUSDABTO-LLVKDONJSA-N 0 1 397.269 3.137 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597384290 987586653 /nfs/dbraw/zinc/58/66/53/987586653.db2.gz IYXQWMLMIBOHNI-UHFFFAOYSA-N 0 1 391.512 3.498 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001597383952 987586780 /nfs/dbraw/zinc/58/67/80/987586780.db2.gz HZUDZMRHLAZDDE-DYVFJYSZSA-N 0 1 379.501 3.401 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1C(=O)[O-] ZINC001597386866 987609516 /nfs/dbraw/zinc/60/95/16/987609516.db2.gz PBUCXALMGWKKIT-UHFFFAOYSA-N 0 1 387.480 3.005 20 0 GGADMN CCc1[nH]c(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1C(=O)[O-] ZINC001597386983 987610223 /nfs/dbraw/zinc/61/02/23/987610223.db2.gz SISJTLQLZJKRQF-INIZCTEOSA-N 0 1 377.485 3.299 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCC2)cc1C(=O)[O-] ZINC001597386983 987610226 /nfs/dbraw/zinc/61/02/26/987610226.db2.gz SISJTLQLZJKRQF-INIZCTEOSA-N 0 1 377.485 3.299 20 0 GGADMN CCc1[nH]c(C[NH2+]Cc2nc3cc(Br)ccc3o2)cc1C(=O)[O-] ZINC001597395673 987649211 /nfs/dbraw/zinc/64/92/11/987649211.db2.gz ZFXBVDDTRGLZCX-UHFFFAOYSA-N 0 1 378.226 3.469 20 0 GGADMN CCc1c(C(=O)C[N@@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC001597400913 987667247 /nfs/dbraw/zinc/66/72/47/987667247.db2.gz TUIRPFUVVOVGOG-MSOLQXFVSA-N 0 1 382.460 3.071 20 0 GGADMN CCc1c(C(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC001597400913 987667252 /nfs/dbraw/zinc/66/72/52/987667252.db2.gz TUIRPFUVVOVGOG-MSOLQXFVSA-N 0 1 382.460 3.071 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001589690909 987756113 /nfs/dbraw/zinc/75/61/13/987756113.db2.gz KEUGZIDJPYVMOC-IBWPDUFMSA-N 0 1 388.508 3.038 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001597451852 987844505 /nfs/dbraw/zinc/84/45/05/987844505.db2.gz JGZIZYJJDQLZJS-JWTNVVGKSA-N 0 1 389.496 3.053 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001597452687 987850502 /nfs/dbraw/zinc/85/05/02/987850502.db2.gz HKMVVSIACCWWJF-RVKKMQEKSA-N 0 1 389.496 3.053 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001597452687 987850508 /nfs/dbraw/zinc/85/05/08/987850508.db2.gz HKMVVSIACCWWJF-RVKKMQEKSA-N 0 1 389.496 3.053 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC001597457070 987869094 /nfs/dbraw/zinc/86/90/94/987869094.db2.gz QKHSTMRSBGZXEW-IBGZPJMESA-N 0 1 381.476 3.338 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC001597457070 987869098 /nfs/dbraw/zinc/86/90/98/987869098.db2.gz QKHSTMRSBGZXEW-IBGZPJMESA-N 0 1 381.476 3.338 20 0 GGADMN CC(C)(C)[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC001589718041 987871926 /nfs/dbraw/zinc/87/19/26/987871926.db2.gz XBVZLEQTJVXKQN-DYVFJYSZSA-N 0 1 389.477 3.108 20 0 GGADMN CCc1cc2c(C[N@H+]3CCc4cc(C(=O)[O-])ccc4C3)cc(=O)oc2cc1O ZINC001597489037 988005994 /nfs/dbraw/zinc/00/59/94/988005994.db2.gz VMCULXTVBDKYJW-UHFFFAOYSA-N 0 1 379.412 3.318 20 0 GGADMN CCc1cc2c(C[N@@H+]3CCc4c(F)ccc(C(=O)[O-])c4C3)cc(=O)oc2cc1O ZINC001597489099 988006744 /nfs/dbraw/zinc/00/67/44/988006744.db2.gz YIQWEPHDNZYIKE-UHFFFAOYSA-N 0 1 397.402 3.457 20 0 GGADMN CCc1cc2c(C[N@H+]3CCc4c(F)ccc(C(=O)[O-])c4C3)cc(=O)oc2cc1O ZINC001597489099 988006758 /nfs/dbraw/zinc/00/67/58/988006758.db2.gz YIQWEPHDNZYIKE-UHFFFAOYSA-N 0 1 397.402 3.457 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC001589743120 988021282 /nfs/dbraw/zinc/02/12/82/988021282.db2.gz DJIONDUOVFBEQE-NVXWUHKLSA-N 0 1 375.513 3.499 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745903 988043957 /nfs/dbraw/zinc/04/39/57/988043957.db2.gz VSDVZMKZHHEQPB-IRXDYDNUSA-N 0 1 396.528 3.311 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC001589745903 988043971 /nfs/dbraw/zinc/04/39/71/988043971.db2.gz VSDVZMKZHHEQPB-IRXDYDNUSA-N 0 1 396.528 3.311 20 0 GGADMN CCc1ccc(C2=CC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])CC2)cc1 ZINC001597516269 988127418 /nfs/dbraw/zinc/12/74/18/988127418.db2.gz CBFQDJHQFQYYSE-ZHZULCJRSA-N 0 1 386.517 3.230 20 0 GGADMN CCc1ccc([C@@H]2CN(C(=O)c3[nH]c4ccccc4c3CC(=O)[O-])CC[NH2+]2)cc1 ZINC001597520005 988145331 /nfs/dbraw/zinc/14/53/31/988145331.db2.gz JXDYNQRLZIAGLH-FQEVSTJZSA-N 0 1 391.471 3.144 20 0 GGADMN CC(C)(C)CN1CCC[C@H]([N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)C1=O ZINC001589781058 988158282 /nfs/dbraw/zinc/15/82/82/988158282.db2.gz WNNSXTRILQYCJX-JZXOWHBKSA-N 0 1 394.462 3.102 20 0 GGADMN CC(C)(C)CN1CCC[C@@H]([N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)C1=O ZINC001589781060 988158448 /nfs/dbraw/zinc/15/84/48/988158448.db2.gz WNNSXTRILQYCJX-LZLYRXPVSA-N 0 1 394.462 3.102 20 0 GGADMN CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)C1=O ZINC001589781157 988159696 /nfs/dbraw/zinc/15/96/96/988159696.db2.gz YASSKZPIRVOBIW-KGLIPLIRSA-N 0 1 379.526 3.058 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001589806427 988229526 /nfs/dbraw/zinc/22/95/26/988229526.db2.gz ONTPKPPLSPVHHF-MRXNPFEDSA-N 0 1 387.249 3.298 20 0 GGADMN CCc1ccc2ccccc2c1CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001597569409 988335603 /nfs/dbraw/zinc/33/56/03/988335603.db2.gz UOVSNRCGQSUJDT-MRXNPFEDSA-N 0 1 383.492 3.093 20 0 GGADMN CSc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001599813606 988380786 /nfs/dbraw/zinc/38/07/86/988380786.db2.gz ZFENHSYACUZGES-ZDUSSCGKSA-N 0 1 398.550 3.224 20 0 GGADMN CSc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001599813595 988381251 /nfs/dbraw/zinc/38/12/51/988381251.db2.gz ZFENHSYACUZGES-CYBMUJFWSA-N 0 1 398.550 3.224 20 0 GGADMN CC(C)(C)OC(=O)C1(CC[N@H+]2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])CCC1 ZINC001589854706 988391090 /nfs/dbraw/zinc/39/10/90/988391090.db2.gz GCELRHSSKHZCMX-KRWDZBQOSA-N 0 1 375.465 3.106 20 0 GGADMN CC(C)(C)OC(=O)C1(CC[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CCC1 ZINC001589854880 988392143 /nfs/dbraw/zinc/39/21/43/988392143.db2.gz ITCFSDHNMINZGJ-QWHCGFSZSA-N 0 1 379.419 3.474 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)[O-])o2)C1 ZINC001589860497 988431666 /nfs/dbraw/zinc/43/16/66/988431666.db2.gz UNWZVAXZLGTSDA-HZPDHXFCSA-N 0 1 392.496 3.277 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816564 988436543 /nfs/dbraw/zinc/43/65/43/988436543.db2.gz ZKMPUBTWVVORHI-BONVTDFDSA-N 0 1 376.400 3.075 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816564 988436547 /nfs/dbraw/zinc/43/65/47/988436547.db2.gz ZKMPUBTWVVORHI-BONVTDFDSA-N 0 1 376.400 3.075 20 0 GGADMN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)[O-])o2)CC1 ZINC001589860899 988437745 /nfs/dbraw/zinc/43/77/45/988437745.db2.gz BMCJMZSZQFSLGV-MRXNPFEDSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC12CC(C(=O)[O-])C2 ZINC001589865476 988457659 /nfs/dbraw/zinc/45/76/59/988457659.db2.gz BRCJTBJNIVQMDO-FVRICEFQSA-N 0 1 385.504 3.430 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC12CC(C(=O)[O-])C2 ZINC001589865455 988457723 /nfs/dbraw/zinc/45/77/23/988457723.db2.gz AXTHYFYZHPZKBY-OTQYULQBSA-N 0 1 396.487 3.489 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCc2ccccc2F)CC12CC(C(=O)[O-])C2 ZINC001589865802 988462665 /nfs/dbraw/zinc/46/26/65/988462665.db2.gz HGTXKUILPZMYPS-ZGOJQLDESA-N 0 1 377.456 3.123 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCc2ccccc2F)CC12CC(C(=O)[O-])C2 ZINC001589865800 988462850 /nfs/dbraw/zinc/46/28/50/988462850.db2.gz HGTXKUILPZMYPS-TZQQIIETSA-N 0 1 377.456 3.123 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cc(O)cc(Cl)c2)CC12CC(C(=O)[O-])C2 ZINC001589866142 988465754 /nfs/dbraw/zinc/46/57/54/988465754.db2.gz KXCOJWFYPWCWMV-FOCKTWCOSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867188 988483052 /nfs/dbraw/zinc/48/30/52/988483052.db2.gz UHKDEWRXFKKNHS-QHPGTNOESA-N 0 1 389.467 3.436 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc32)CC12CC(C(=O)[O-])C2 ZINC001589867454 988488897 /nfs/dbraw/zinc/48/88/97/988488897.db2.gz XDOIJNZUWYBILV-DVCDAGAOSA-N 0 1 385.504 3.471 20 0 GGADMN CCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001597614894 988525799 /nfs/dbraw/zinc/52/57/99/988525799.db2.gz QGQYBMPGYQPGLO-UHFFFAOYSA-N 0 1 395.503 3.012 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599824972 988583423 /nfs/dbraw/zinc/58/34/23/988583423.db2.gz ACAKDYXSMDYSJY-GFCCVEGCSA-N 0 1 391.518 3.381 20 0 GGADMN CC(C)(C)OC(=O)N(CCC[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-])C1CC1 ZINC001589905725 988617528 /nfs/dbraw/zinc/61/75/28/988617528.db2.gz NJYXSAAZDUWHLD-GOSISDBHSA-N 0 1 390.480 3.296 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@](C)(C(=O)[O-])C2)[C@H](O)c2ccccc21 ZINC001589928619 988677976 /nfs/dbraw/zinc/67/79/76/988677976.db2.gz GXAHBCFCOQUXPI-CSODHUTKSA-N 0 1 390.480 3.030 20 0 GGADMN CCc1nc(NC[C@@H](Oc2ccc(Br)cc2)C(=O)[O-])cc(C)[nH+]1 ZINC001597660777 988728286 /nfs/dbraw/zinc/72/82/86/988728286.db2.gz DQIKKIRXVFLGDC-CYBMUJFWSA-N 0 1 380.242 3.054 20 0 GGADMN CCc1nc(NC[C@H](Oc2ccc(Br)cc2)C(=O)[O-])cc(C)[nH+]1 ZINC001597660778 988728465 /nfs/dbraw/zinc/72/84/65/988728465.db2.gz DQIKKIRXVFLGDC-ZDUSSCGKSA-N 0 1 380.242 3.054 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCc1cccc(F)c1)C[C@@H]2C(=O)[O-] ZINC001589949995 988747355 /nfs/dbraw/zinc/74/73/55/988747355.db2.gz YXVHXDAFHBVXHR-QGZVFWFLSA-N 0 1 392.471 3.012 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc(C3CC3)cc1)C[C@@H]2C(=O)[O-] ZINC001589953058 988749130 /nfs/dbraw/zinc/74/91/30/988749130.db2.gz CMMIFPOYXMWDMY-GOSISDBHSA-N 0 1 386.492 3.318 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1cccc(F)c1Cl)C[C@@H]2C(=O)[O-] ZINC001589954727 988756786 /nfs/dbraw/zinc/75/67/86/988756786.db2.gz JRDYKVUHWLHKCI-CYBMUJFWSA-N 0 1 398.862 3.233 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1cccc(F)c1Cl)C[C@@H]2C(=O)[O-] ZINC001589954727 988756798 /nfs/dbraw/zinc/75/67/98/988756798.db2.gz JRDYKVUHWLHKCI-CYBMUJFWSA-N 0 1 398.862 3.233 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccccc1C1CC1)C[C@@H]2C(=O)[O-] ZINC001589955378 988759446 /nfs/dbraw/zinc/75/94/46/988759446.db2.gz OHKVFFCINVQNEM-GOSISDBHSA-N 0 1 386.492 3.318 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(C(=O)[O-])s2)C1 ZINC001589971775 988802580 /nfs/dbraw/zinc/80/25/80/988802580.db2.gz FCINZOQRMUVZGJ-KBPBESRZSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972024 988807156 /nfs/dbraw/zinc/80/71/56/988807156.db2.gz OPIYMALPNMANLI-IRXDYDNUSA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972080 988808368 /nfs/dbraw/zinc/80/83/68/988808368.db2.gz QTQDVCFQVXIGBX-WMLDXEAASA-N 0 1 377.485 3.324 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](Cc3nc(C(=O)[O-])cs3)CC2)C1 ZINC001589972053 988808891 /nfs/dbraw/zinc/80/88/91/988808891.db2.gz PKOJGGDNKZZLQY-AWEZNQCLSA-N 0 1 395.525 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001589974658 988826933 /nfs/dbraw/zinc/82/69/33/988826933.db2.gz REGIOKBRVMYRJS-UONOGXRCSA-N 0 1 395.525 3.278 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CC1 ZINC001589974767 988828033 /nfs/dbraw/zinc/82/80/33/988828033.db2.gz UKWVGPZZNJOCDZ-UONOGXRCSA-N 0 1 394.434 3.219 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1cccc(C(=O)[O-])n1)C2 ZINC001590002621 988920947 /nfs/dbraw/zinc/92/09/47/988920947.db2.gz BMKCTYSQJLMVEK-NRFANRHFSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])c(F)c1 ZINC001590003268 988930458 /nfs/dbraw/zinc/93/04/58/988930458.db2.gz BXKXADMQLYIYLA-IRXDYDNUSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3F)CC[C@H]21 ZINC001590003594 988933384 /nfs/dbraw/zinc/93/33/84/988933384.db2.gz FPELWIJMCARUQD-NVXWUHKLSA-N 0 1 378.444 3.355 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(/C=C/C(=O)[O-])o3)CC[C@@H]21 ZINC001590004619 988944375 /nfs/dbraw/zinc/94/43/75/988944375.db2.gz LWUYPKUJIUMTPA-PALPZSCYSA-N 0 1 376.453 3.209 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005281 988951290 /nfs/dbraw/zinc/95/12/90/988951290.db2.gz PJSSWAFXZXPMBA-DOTOQJQBSA-N 0 1 375.469 3.001 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC[C@H]21 ZINC001590006288 988959245 /nfs/dbraw/zinc/95/92/45/988959245.db2.gz XVXSXKXURFEAOA-OIISXLGYSA-N 0 1 378.444 3.283 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001590011200 988962672 /nfs/dbraw/zinc/96/26/72/988962672.db2.gz BSEODQNPKNFJJE-CXAGYDPISA-N 0 1 394.434 3.363 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013695 988977576 /nfs/dbraw/zinc/97/75/76/988977576.db2.gz WRMQEXLDUPANBL-RHSMWYFYSA-N 0 1 393.484 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+]Cc1cc(C(=O)[O-])co1)C(F)(F)F ZINC001590017710 988995661 /nfs/dbraw/zinc/99/56/61/988995661.db2.gz BRPDFYDJZWAHPU-INIZCTEOSA-N 0 1 392.374 3.399 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+]([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024486 989010365 /nfs/dbraw/zinc/01/03/65/989010365.db2.gz AAICOKPILCDBJT-OXQOHEQNSA-N 0 1 375.469 3.073 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cncc(C(=O)[O-])c1)C2 ZINC001590025897 989021649 /nfs/dbraw/zinc/02/16/49/989021649.db2.gz NFSSQLBZTNMJEC-HXUWFJFHSA-N 0 1 375.469 3.145 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccc(/C=C/C(=O)[O-])o3)C2)C1 ZINC001590026441 989028935 /nfs/dbraw/zinc/02/89/35/989028935.db2.gz YMZMFRCWENZKRG-BQYQJAHWSA-N 0 1 376.453 3.210 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C\c2ccc(F)c(F)c2)[C@H](C(=O)[O-])C1 ZINC001590034440 989046275 /nfs/dbraw/zinc/04/62/75/989046275.db2.gz FVRCAZNGQPFTRW-AATOQMJSSA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC001590034688 989048752 /nfs/dbraw/zinc/04/87/52/989048752.db2.gz JOVYNTZZFGICND-YFHOEESVSA-N 0 1 390.480 3.106 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@H](C(=O)[O-])C1 ZINC001590034784 989052736 /nfs/dbraw/zinc/05/27/36/989052736.db2.gz MMSLAPJSFAHXMI-SFHVURJKSA-N 0 1 385.464 3.131 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H]1CC(=O)[O-] ZINC001599858142 989122286 /nfs/dbraw/zinc/12/22/86/989122286.db2.gz XPINSLWHBNXMSK-RSRIQPTJSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@H]1CC(=O)[O-] ZINC001599858141 989122363 /nfs/dbraw/zinc/12/23/63/989122363.db2.gz XPINSLWHBNXMSK-LELZANKISA-N 0 1 399.535 3.039 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C[C@@H]2C1 ZINC001590074589 989165091 /nfs/dbraw/zinc/16/50/91/989165091.db2.gz NNSGPPSVDRJAAE-KEYYUXOJSA-N 0 1 378.444 3.140 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H]1CC(=O)[O-] ZINC001599861194 989169700 /nfs/dbraw/zinc/16/97/00/989169700.db2.gz SXIPVXAMLWGQOL-RLLQIKCJSA-N 0 1 399.535 3.041 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599861924 989182924 /nfs/dbraw/zinc/18/29/24/989182924.db2.gz DXLCWINZUPUKOZ-HZSPNIEDSA-N 0 1 395.525 3.134 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC001597762876 989199031 /nfs/dbraw/zinc/19/90/31/989199031.db2.gz LOYYWZQYFVMBRR-LLVKDONJSA-N 0 1 378.450 3.163 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3F)[C@@H]2C1 ZINC001590091295 989206210 /nfs/dbraw/zinc/20/62/10/989206210.db2.gz HKGUBXSBNGFZQM-DOTOQJQBSA-N 0 1 378.444 3.355 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001597763506 989206044 /nfs/dbraw/zinc/20/60/44/989206044.db2.gz YGFOEIOGEFHUAM-VBKZILBWSA-N 0 1 378.469 3.419 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)[C@@H]2C1 ZINC001590091295 989206221 /nfs/dbraw/zinc/20/62/21/989206221.db2.gz HKGUBXSBNGFZQM-DOTOQJQBSA-N 0 1 378.444 3.355 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH2+][C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001597767550 989221918 /nfs/dbraw/zinc/22/19/18/989221918.db2.gz QLDZHULDZAFMRQ-HXUWFJFHSA-N 0 1 375.421 3.117 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599864670 989225464 /nfs/dbraw/zinc/22/54/64/989225464.db2.gz CULBENQVTRZDTG-PXAZEXFGSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599864679 989226141 /nfs/dbraw/zinc/22/61/41/989226141.db2.gz DBFCGUDDCSEIII-SJKOYZFVSA-N 0 1 387.307 3.304 20 0 GGADMN CCc1oc(C(=O)[O-])cc1COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC001597772149 989234653 /nfs/dbraw/zinc/23/46/53/989234653.db2.gz KKKZYUPNVJHFQD-UHFFFAOYSA-N 0 1 391.330 3.416 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2Br)C[C@H]1C(=O)[O-] ZINC001599865953 989256937 /nfs/dbraw/zinc/25/69/37/989256937.db2.gz OPGOZDOVKBDXCY-LDYMZIIASA-N 0 1 377.076 3.364 20 0 GGADMN CC(C)(C)OC(=O)N1[C@H](C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)COC1(C)C ZINC001590105720 989258160 /nfs/dbraw/zinc/25/81/60/989258160.db2.gz MLKUBELSMFHBFB-NVXWUHKLSA-N 0 1 390.480 3.042 20 0 GGADMN CCc1oc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1C(=O)[O-] ZINC001597798791 989372900 /nfs/dbraw/zinc/37/29/00/989372900.db2.gz KKMDXLNVMRBZIP-ZDUSSCGKSA-N 0 1 390.455 3.491 20 0 GGADMN CCc1oc(C[N@H+]2CCC[C@H](c3ncc(C(=O)OC)s3)C2)cc1C(=O)[O-] ZINC001597799140 989377922 /nfs/dbraw/zinc/37/79/22/989377922.db2.gz NGSAWWAVGYDVAT-NSHDSACASA-N 0 1 378.450 3.163 20 0 GGADMN CCc1oc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1C(=O)OC ZINC001597799679 989384776 /nfs/dbraw/zinc/38/47/76/989384776.db2.gz SUJRPXQKMKDSLO-LLVKDONJSA-N 0 1 378.450 3.163 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cccc(C(=O)[O-])c1)C2 ZINC001590137936 989389695 /nfs/dbraw/zinc/38/96/95/989389695.db2.gz BRWKZPHTCQERRI-UAGQMJEPSA-N 0 1 390.480 3.141 20 0 GGADMN CCc1oc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C(=O)[O-] ZINC001597800222 989391218 /nfs/dbraw/zinc/39/12/18/989391218.db2.gz ZAKCFZIZWYKIRR-FPOVZHCZSA-N 0 1 384.476 3.016 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C2 ZINC001590138910 989396870 /nfs/dbraw/zinc/39/68/70/989396870.db2.gz ITNNABVJMZVAPS-RCBQFDQVSA-N 0 1 378.444 3.402 20 0 GGADMN CCc1oc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1C(=O)[O-] ZINC001597805317 989412943 /nfs/dbraw/zinc/41/29/43/989412943.db2.gz DNLHOMXWVIUGJR-UHFFFAOYSA-N 0 1 378.856 3.320 20 0 GGADMN CCc1oc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1C(=O)[O-] ZINC001597805878 989416579 /nfs/dbraw/zinc/41/65/79/989416579.db2.gz QBXFXHDOMGNHQG-UHFFFAOYSA-N 0 1 379.416 3.477 20 0 GGADMN CCc1sc(-c2nnc(C[N@@H+]3[C@@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816531 989447613 /nfs/dbraw/zinc/44/76/13/989447613.db2.gz WKYABHCBXBLTMK-MQYQWHSLSA-N 0 1 391.493 3.264 20 0 GGADMN CCc1sc(-c2nnc(C[N@H+]3[C@@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816531 989447622 /nfs/dbraw/zinc/44/76/22/989447622.db2.gz WKYABHCBXBLTMK-MQYQWHSLSA-N 0 1 391.493 3.264 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001599878295 989449051 /nfs/dbraw/zinc/44/90/51/989449051.db2.gz WNRKFQCKJWKNJA-NXEZZACHSA-N 0 1 378.778 3.482 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CCCO1 ZINC001590176324 989504811 /nfs/dbraw/zinc/50/48/11/989504811.db2.gz GHOZXFANUKKDTC-CVEARBPZSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCCCC(=O)[O-])CC[C@@H]1C(F)(F)F ZINC001590176788 989510213 /nfs/dbraw/zinc/51/02/13/989510213.db2.gz LHYUOYPASOBUJL-STQMWFEESA-N 0 1 382.423 3.266 20 0 GGADMN C[C@]12CN(C(=O)Nc3ccc(C(=O)[O-])cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599885168 989543617 /nfs/dbraw/zinc/54/36/17/989543617.db2.gz WUOVTYXXZAUCBF-GCJKJVERSA-N 0 1 379.460 3.371 20 0 GGADMN CC(C)(C)OC(=O)NCCC[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)CC1CCCC1 ZINC001590195081 989553585 /nfs/dbraw/zinc/55/35/85/989553585.db2.gz PUZFLQUSVLHFIW-LSDHHAIUSA-N 0 1 390.471 3.359 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC001590200166 989557077 /nfs/dbraw/zinc/55/70/77/989557077.db2.gz AAGMAUVIRQJLFJ-UHFFFAOYSA-N 0 1 399.491 3.349 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccoc2C(=O)[O-])c(F)c1 ZINC001590223504 989591656 /nfs/dbraw/zinc/59/16/56/989591656.db2.gz CGXYXZVJBRVZSH-UHFFFAOYSA-N 0 1 378.400 3.431 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC001590267922 989667246 /nfs/dbraw/zinc/66/72/46/989667246.db2.gz CKBHWCKCGBELCS-CZUORRHYSA-N 0 1 389.477 3.122 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001590284120 989696301 /nfs/dbraw/zinc/69/63/01/989696301.db2.gz YOTFSRRQRPNELI-YRYLYKBFSA-N 0 1 390.480 3.152 20 0 GGADMN CCn1cc([C@H](O)C[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)Cc2ccccc2)cn1 ZINC001597882335 989711664 /nfs/dbraw/zinc/71/16/64/989711664.db2.gz MRVSNJWQDLJCED-LJQANCHMSA-N 0 1 383.448 3.238 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3CF)C[C@]2(C(=O)[O-])C1 ZINC001590296780 989718278 /nfs/dbraw/zinc/71/82/78/989718278.db2.gz MFJYGIOXJYHSNC-LLGFUMIMSA-N 0 1 392.471 3.346 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)CC2 ZINC001590318390 989748247 /nfs/dbraw/zinc/74/82/47/989748247.db2.gz CRPQGNFKYDAHEM-DZGCQCFKSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])n2)C[C@H]1c1ccccc1 ZINC001590340299 989778699 /nfs/dbraw/zinc/77/86/99/989778699.db2.gz MBEDGTKVHOKIKE-ZWKOTPCHSA-N 0 1 382.460 3.337 20 0 GGADMN CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)cc1 ZINC001590364865 989833161 /nfs/dbraw/zinc/83/31/61/989833161.db2.gz UXBRLBUZZISBTJ-QFIPXVFZSA-N 0 1 389.492 3.224 20 0 GGADMN CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1 ZINC001590364864 989833379 /nfs/dbraw/zinc/83/33/79/989833379.db2.gz UXBRLBUZZISBTJ-JOCHJYFZSA-N 0 1 389.492 3.224 20 0 GGADMN CN(C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597991411 990092856 /nfs/dbraw/zinc/09/28/56/990092856.db2.gz LLRNYRIXNMBTCV-QHAWAJNXSA-N 0 1 398.478 3.349 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001590497856 990104541 /nfs/dbraw/zinc/10/45/41/990104541.db2.gz FDGUKYAFSCEMQO-XLIONFOSSA-N 0 1 379.522 3.087 20 0 GGADMN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001590573213 990210453 /nfs/dbraw/zinc/21/04/53/990210453.db2.gz NSGHSKAHLQPNPZ-ZFWWWQNUSA-N 0 1 391.899 3.091 20 0 GGADMN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001590573210 990210510 /nfs/dbraw/zinc/21/05/10/990210510.db2.gz NSGHSKAHLQPNPZ-DZGCQCFKSA-N 0 1 391.899 3.091 20 0 GGADMN CN(C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001598049715 990300261 /nfs/dbraw/zinc/30/02/61/990300261.db2.gz YWTPDUPAONWMPM-QXULXFAOSA-N 0 1 399.413 3.255 20 0 GGADMN CN(C(=O)NCc1ccc(C(=O)[O-])s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001598049911 990302008 /nfs/dbraw/zinc/30/20/08/990302008.db2.gz HSDWAXLMQJSUBE-INIZCTEOSA-N 0 1 387.505 3.252 20 0 GGADMN CN(C(=O)NCc1ccc(C(=O)[O-])s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001598049912 990302215 /nfs/dbraw/zinc/30/22/15/990302215.db2.gz HSDWAXLMQJSUBE-MRXNPFEDSA-N 0 1 387.505 3.252 20 0 GGADMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1)C(N)=O ZINC001590654051 990345179 /nfs/dbraw/zinc/34/51/79/990345179.db2.gz JLSWHFAEFAHUIB-AWEZNQCLSA-N 0 1 385.464 3.153 20 0 GGADMN CC(C)(C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1)C(N)=O ZINC001590654876 990349967 /nfs/dbraw/zinc/34/99/67/990349967.db2.gz WTWZKRVKAFBELY-IUODEOHRSA-N 0 1 397.313 3.188 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001598066366 990350197 /nfs/dbraw/zinc/35/01/97/990350197.db2.gz JBNVKYMWCQCKLP-HNNXBMFYSA-N 0 1 385.464 3.374 20 0 GGADMN CN(C(=O)c1ccccc1CCC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001598093108 990437555 /nfs/dbraw/zinc/43/75/55/990437555.db2.gz DNQVSMWZNGYIPP-HXUWFJFHSA-N 0 1 380.488 3.440 20 0 GGADMN CC(C)(COCc1ccccc1)[NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001590787482 990605536 /nfs/dbraw/zinc/60/55/36/990605536.db2.gz OTESDACKBAWONX-UHFFFAOYSA-N 0 1 381.432 3.119 20 0 GGADMN CN(C)C(=O)OC1CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001598146015 990620967 /nfs/dbraw/zinc/62/09/67/990620967.db2.gz OBPWVEFLCVHPTM-AWEZNQCLSA-N 0 1 375.252 3.282 20 0 GGADMN C[NH+](C)[C@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001598162415 990660416 /nfs/dbraw/zinc/66/04/16/990660416.db2.gz GVDBNDAZBPQWJA-HNNXBMFYSA-N 0 1 382.247 3.006 20 0 GGADMN C[NH+](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)c1cccc(Cl)c1 ZINC001598162836 990664583 /nfs/dbraw/zinc/66/45/83/990664583.db2.gz LBCJINWEFNEXLT-SFHVURJKSA-N 0 1 387.867 3.230 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001598163680 990672638 /nfs/dbraw/zinc/67/26/38/990672638.db2.gz WWCNPXVIWKJPRT-OUCADQQQSA-N 0 1 392.805 3.054 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC001598170658 990701878 /nfs/dbraw/zinc/70/18/78/990701878.db2.gz PKRIPQPVTMOZPQ-QGZVFWFLSA-N 0 1 375.856 3.392 20 0 GGADMN CC(C)([NH2+]CC(=O)NC1(C(=O)[O-])CCCCC1)c1nc2cc(Cl)ccc2o1 ZINC001590866945 990764160 /nfs/dbraw/zinc/76/41/60/990764160.db2.gz WGYPRZCILCPIBS-UHFFFAOYSA-N 0 1 393.871 3.210 20 0 GGADMN CC(C)([NH2+]Cc1cc(C(=O)[O-])ccc1Br)C(=O)NCC1CCCC1 ZINC001590871340 990776921 /nfs/dbraw/zinc/77/69/21/990776921.db2.gz NSPHTKHAFMQKIS-UHFFFAOYSA-N 0 1 397.313 3.322 20 0 GGADMN C[NH+](C)CCCOc1cnccc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598220202 990893601 /nfs/dbraw/zinc/89/36/01/990893601.db2.gz CHMDUIHVKQCEFJ-UHFFFAOYSA-N 0 1 377.872 3.054 20 0 GGADMN COc1cccc(Sc2ccccc2CN2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001599683954 990956628 /nfs/dbraw/zinc/95/66/28/990956628.db2.gz IEOMYKZXDWXPAQ-QGZVFWFLSA-N 0 1 386.517 3.295 20 0 GGADMN COc1cccc(Sc2ccccc2C[N@@H+]2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001599683954 990956634 /nfs/dbraw/zinc/95/66/34/990956634.db2.gz IEOMYKZXDWXPAQ-QGZVFWFLSA-N 0 1 386.517 3.295 20 0 GGADMN COc1cccc(Sc2ccccc2C[N@H+]2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001599683954 990956641 /nfs/dbraw/zinc/95/66/41/990956641.db2.gz IEOMYKZXDWXPAQ-QGZVFWFLSA-N 0 1 386.517 3.295 20 0 GGADMN COc1cccc([C@H]([NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)C(=O)[O-])c1 ZINC001599688212 991023196 /nfs/dbraw/zinc/02/31/96/991023196.db2.gz SUZDKIAVMXQYQJ-NSHDSACASA-N 0 1 377.750 3.016 20 0 GGADMN C[NH+](C)Cc1ccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)o1 ZINC001598248989 991027514 /nfs/dbraw/zinc/02/75/14/991027514.db2.gz UFVKDWGAMAVIMZ-UHFFFAOYSA-N 0 1 381.388 3.479 20 0 GGADMN CN(C)Cc1ccc(C[NH2+]C[C@H](CC2CCCC2)C(=O)[O-])c2c1OC(F)(F)O2 ZINC001598252515 991033371 /nfs/dbraw/zinc/03/33/71/991033371.db2.gz JWKMRFNTDDYTSA-INIZCTEOSA-N 0 1 398.450 3.440 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)c2ccsc2CC(=O)[O-])cc1Br ZINC001598252762 991034554 /nfs/dbraw/zinc/03/45/54/991034554.db2.gz NBIYQDMZSYDTLW-UHFFFAOYSA-N 0 1 397.294 3.452 20 0 GGADMN CN(C)Cc1ccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c2c1OC(F)(F)O2 ZINC001598252745 991035080 /nfs/dbraw/zinc/03/50/80/991035080.db2.gz MGQFOTZHMDCARV-UHFFFAOYSA-N 0 1 384.423 3.337 20 0 GGADMN C[NH+](C)Cc1cnc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)s1 ZINC001598253973 991053344 /nfs/dbraw/zinc/05/33/44/991053344.db2.gz RJYLCVIHBISAHF-UHFFFAOYSA-N 0 1 387.427 3.310 20 0 GGADMN COc1ccccc1-c1ccc(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@H](C)C2)s1 ZINC001599692741 991097712 /nfs/dbraw/zinc/09/77/12/991097712.db2.gz BATYFSSTBJYHIT-CQSZACIVSA-N 0 1 388.489 3.045 20 0 GGADMN COc1ccccc1-c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)s1 ZINC001599692741 991097719 /nfs/dbraw/zinc/09/77/19/991097719.db2.gz BATYFSSTBJYHIT-CQSZACIVSA-N 0 1 388.489 3.045 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001590980406 991131164 /nfs/dbraw/zinc/13/11/64/991131164.db2.gz CQFSMDKJVPOEPD-MRXNPFEDSA-N 0 1 390.509 3.048 20 0 GGADMN COc1ccccc1-c1nc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)co1 ZINC001599695361 991141469 /nfs/dbraw/zinc/14/14/69/991141469.db2.gz QKKVUIPAEPRAOZ-RBUKOAKNSA-N 0 1 394.427 3.356 20 0 GGADMN COc1ccccc1[C@H](CNc1cc(C(=O)[O-])cc[nH+]1)NC(=O)OC(C)(C)C ZINC001599697654 991172715 /nfs/dbraw/zinc/17/27/15/991172715.db2.gz HSTSLOWRHQDXMU-HNNXBMFYSA-N 0 1 387.436 3.466 20 0 GGADMN CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590987923 991175584 /nfs/dbraw/zinc/17/55/84/991175584.db2.gz BIRPWEBDGCGCHG-ZIAGYGMSSA-N 0 1 397.541 3.428 20 0 GGADMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590987920 991175652 /nfs/dbraw/zinc/17/56/52/991175652.db2.gz BIRPWEBDGCGCHG-KBPBESRZSA-N 0 1 397.541 3.428 20 0 GGADMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590987921 991175674 /nfs/dbraw/zinc/17/56/74/991175674.db2.gz BIRPWEBDGCGCHG-KGLIPLIRSA-N 0 1 397.541 3.428 20 0 GGADMN COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001599698485 991183958 /nfs/dbraw/zinc/18/39/58/991183958.db2.gz NUZHOEDNKCHFDP-DSLXNQLJSA-N 0 1 388.508 3.180 20 0 GGADMN COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001599698487 991184254 /nfs/dbraw/zinc/18/42/54/991184254.db2.gz NUZHOEDNKCHFDP-WNHJNPCNSA-N 0 1 388.508 3.180 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[NH+]1CCOCC1 ZINC001590988931 991191849 /nfs/dbraw/zinc/19/18/49/991191849.db2.gz PWUZMSJJYUTPSU-LJQANCHMSA-N 0 1 385.464 3.016 20 0 GGADMN CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001590989482 991198969 /nfs/dbraw/zinc/19/89/69/991198969.db2.gz VTDBJEHUXLIJOG-GOSISDBHSA-N 0 1 378.513 3.413 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001598293784 991212130 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XOCADBIJBOENHU-UHFFFAOYSA-N 0 1 396.491 3.021 20 0 GGADMN COc1ccccc1/C=C/C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001599704943 991278278 /nfs/dbraw/zinc/27/82/78/991278278.db2.gz CJTFZCNWJPNMBZ-PYUISTEWSA-N 0 1 390.480 3.104 20 0 GGADMN COc1ccccc1/C=C\C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599704942 991278723 /nfs/dbraw/zinc/27/87/23/991278723.db2.gz CJTFZCNWJPNMBZ-JEZWAEDTSA-N 0 1 390.480 3.104 20 0 GGADMN COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001599708964 991338181 /nfs/dbraw/zinc/33/81/81/991338181.db2.gz PKYSFHPNMJWCBH-CYBMUJFWSA-N 0 1 376.478 3.265 20 0 GGADMN COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599714225 991425371 /nfs/dbraw/zinc/42/53/71/991425371.db2.gz DYIKYEAKJCPZGG-SUMWQHHRSA-N 0 1 382.416 3.054 20 0 GGADMN COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599714222 991425527 /nfs/dbraw/zinc/42/55/27/991425527.db2.gz DYIKYEAKJCPZGG-CXAGYDPISA-N 0 1 382.416 3.054 20 0 GGADMN COc1ccccc1O[C@@H]1CCC[N@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC001599715115 991441006 /nfs/dbraw/zinc/44/10/06/991441006.db2.gz MTRVPMUGIJLZEF-OAHLLOKOSA-N 0 1 381.432 3.244 20 0 GGADMN COc1ccccc1O[C@@H]1CCC[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC001599715115 991441012 /nfs/dbraw/zinc/44/10/12/991441012.db2.gz MTRVPMUGIJLZEF-OAHLLOKOSA-N 0 1 381.432 3.244 20 0 GGADMN CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001598348940 991441278 /nfs/dbraw/zinc/44/12/78/991441278.db2.gz NAQSWJSGEHDNSE-JKSUJKDBSA-N 0 1 393.409 3.467 20 0 GGADMN CN(C)c1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598349045 991442684 /nfs/dbraw/zinc/44/26/84/991442684.db2.gz SGBKOXFEUTWMCF-ZDUSSCGKSA-N 0 1 385.308 3.005 20 0 GGADMN CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)s1 ZINC001598352585 991451205 /nfs/dbraw/zinc/45/12/05/991451205.db2.gz MUCGLSHOBBOQRX-SECBINFHSA-N 0 1 386.930 3.397 20 0 GGADMN CC(C)[C@@H](c1noc([C@@H]([NH3+])CCC(=O)[O-])n1)c1ccc(Br)cc1 ZINC001591051446 991451360 /nfs/dbraw/zinc/45/13/60/991451360.db2.gz CHYHOSFWJOISFC-GXTWGEPZSA-N 0 1 382.258 3.485 20 0 GGADMN CN(C)c1ncc(C[N@H+]2CCOc3ccccc3[C@H]2C(=O)[O-])c2ccccc21 ZINC001598353785 991460449 /nfs/dbraw/zinc/46/04/49/991460449.db2.gz LNNOUDZVGOEXKO-FQEVSTJZSA-N 0 1 377.444 3.321 20 0 GGADMN CN(C)c1ncc(C[N@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])c2ccccc21 ZINC001598358823 991482130 /nfs/dbraw/zinc/48/21/30/991482130.db2.gz AGHGJBMHZZCXNO-HXUWFJFHSA-N 0 1 377.444 3.018 20 0 GGADMN C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001598370304 991530635 /nfs/dbraw/zinc/53/06/35/991530635.db2.gz NEJLUNGEJMANPC-UHFFFAOYSA-N 0 1 386.448 3.245 20 0 GGADMN COc1ccnc(N2CC[NH+](Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)CC2)c1 ZINC001599721648 991549331 /nfs/dbraw/zinc/54/93/31/991549331.db2.gz ROWGTBXBYLWSBF-UHFFFAOYSA-N 0 1 393.443 3.371 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001598375696 991560689 /nfs/dbraw/zinc/56/06/89/991560689.db2.gz DVRRPTRFSKOJHE-UHFFFAOYSA-N 0 1 378.831 3.268 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001598375696 991560698 /nfs/dbraw/zinc/56/06/98/991560698.db2.gz DVRRPTRFSKOJHE-UHFFFAOYSA-N 0 1 378.831 3.268 20 0 GGADMN CN(C(=O)C[N@H+](C)Cc1cc(Br)ccc1C(=O)[O-])C1CCCCC1 ZINC001598375972 991562679 /nfs/dbraw/zinc/56/26/79/991562679.db2.gz JWWRHVQQNWUGTG-UHFFFAOYSA-N 0 1 397.313 3.370 20 0 GGADMN CN(C(=O)C[N@@H+](C)Cc1cc(Br)ccc1C(=O)[O-])C1CCCCC1 ZINC001598375972 991562689 /nfs/dbraw/zinc/56/26/89/991562689.db2.gz JWWRHVQQNWUGTG-UHFFFAOYSA-N 0 1 397.313 3.370 20 0 GGADMN C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598384890 991599592 /nfs/dbraw/zinc/59/95/92/991599592.db2.gz MILXKRJCSDGJAM-YRNRMSPPSA-N 0 1 384.501 3.017 20 0 GGADMN C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1c[nH]c(C(=O)[O-])c1 ZINC001598386494 991606642 /nfs/dbraw/zinc/60/66/42/991606642.db2.gz HPFVXEKYVUJYBV-UHFFFAOYSA-N 0 1 377.444 3.051 20 0 GGADMN C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1c[nH]c(C(=O)[O-])c1 ZINC001598386494 991606647 /nfs/dbraw/zinc/60/66/47/991606647.db2.gz HPFVXEKYVUJYBV-UHFFFAOYSA-N 0 1 377.444 3.051 20 0 GGADMN C[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598391819 991635334 /nfs/dbraw/zinc/63/53/34/991635334.db2.gz PWIRIWPZVFZQJS-OTVXOJSOSA-N 0 1 376.840 3.011 20 0 GGADMN CC(C)[C@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001591093675 991661997 /nfs/dbraw/zinc/66/19/97/991661997.db2.gz YHAZTBUDIQYURP-VQTJNVASSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001591093674 991662055 /nfs/dbraw/zinc/66/20/55/991662055.db2.gz YHAZTBUDIQYURP-UXHICEINSA-N 0 1 387.524 3.039 20 0 GGADMN C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@H](CO)CC(C)(C)C ZINC001598396857 991664924 /nfs/dbraw/zinc/66/49/24/991664924.db2.gz UAKGWJCTPXGXPN-NSHDSACASA-N 0 1 391.295 3.359 20 0 GGADMN C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001598397018 991666418 /nfs/dbraw/zinc/66/64/18/991666418.db2.gz MHIDWZGXUIFWNW-UHFFFAOYSA-N 0 1 386.496 3.293 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C(=O)[O-])cc1 ZINC001598397703 991676120 /nfs/dbraw/zinc/67/61/20/991676120.db2.gz OMUSTOVGDCWNBY-UHFFFAOYSA-N 0 1 396.443 3.497 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C(=O)[O-])cc1 ZINC001598397703 991676125 /nfs/dbraw/zinc/67/61/25/991676125.db2.gz OMUSTOVGDCWNBY-UHFFFAOYSA-N 0 1 396.443 3.497 20 0 GGADMN C[N@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1cccc(Br)c1 ZINC001598400423 991692022 /nfs/dbraw/zinc/69/20/22/991692022.db2.gz JOJYEORQQNWVCA-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1cccc(Br)c1 ZINC001598400423 991692023 /nfs/dbraw/zinc/69/20/23/991692023.db2.gz JOJYEORQQNWVCA-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)CC1(O)CCCCCC1 ZINC001598403789 991700922 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GGADMN C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001598616837 993899325 /nfs/dbraw/zinc/89/93/25/993899325.db2.gz NWWNAXFGCHJYCF-UHFFFAOYSA-N 0 1 398.507 3.076 20 0 GGADMN CN1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618513 993944290 /nfs/dbraw/zinc/94/42/90/993944290.db2.gz JRDALBUHQNOMPV-ZDKIGPTLSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618513 993944298 /nfs/dbraw/zinc/94/42/98/993944298.db2.gz JRDALBUHQNOMPV-ZDKIGPTLSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC001598618513 993944310 /nfs/dbraw/zinc/94/43/10/993944310.db2.gz JRDALBUHQNOMPV-ZDKIGPTLSA-N 0 1 380.488 3.022 20 0 GGADMN CN1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618514 993944480 /nfs/dbraw/zinc/94/44/80/993944480.db2.gz JRDALBUHQNOMPV-ZRFOIIEFSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618514 993944492 /nfs/dbraw/zinc/94/44/92/993944492.db2.gz JRDALBUHQNOMPV-ZRFOIIEFSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618514 993944504 /nfs/dbraw/zinc/94/45/04/993944504.db2.gz JRDALBUHQNOMPV-ZRFOIIEFSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(Cc2cc(F)ccc2Oc2cncc(Cl)c2)C[C@@H](C(=O)[O-])C1 ZINC001598619308 993968463 /nfs/dbraw/zinc/96/84/63/993968463.db2.gz LKSBMZGHQQSFQU-AWEZNQCLSA-N 0 1 393.846 3.115 20 0 GGADMN CN1CCN(c2ccc(CC[NH2+]Cc3cc(C(=O)[O-])ccc3Cl)cc2)CC1 ZINC001598622790 994033739 /nfs/dbraw/zinc/03/37/39/994033739.db2.gz ZJUDQNGMKWDKEL-UHFFFAOYSA-N 0 1 387.911 3.122 20 0 GGADMN C[N@H+]1CC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)[C@@H]1c1ccccc1 ZINC001598625078 994074519 /nfs/dbraw/zinc/07/45/19/994074519.db2.gz BWOBTNDQTGSJNY-KXBFYZLASA-N 0 1 388.851 3.435 20 0 GGADMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)Nc4ccc(OCCC(=O)[O-])cc4)cc3c2C1 ZINC001598626658 994107695 /nfs/dbraw/zinc/10/76/95/994107695.db2.gz GVCYNVRXUWPNCD-UHFFFAOYSA-N 0 1 393.443 3.262 20 0 GGADMN C[N@H+]1CCc2[nH]c3ccc(C(=O)Nc4ccc(OCCC(=O)[O-])cc4)cc3c2C1 ZINC001598626658 994107704 /nfs/dbraw/zinc/10/77/04/994107704.db2.gz GVCYNVRXUWPNCD-UHFFFAOYSA-N 0 1 393.443 3.262 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)[O-])o1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593196244 994152807 /nfs/dbraw/zinc/15/28/07/994152807.db2.gz GYIVBSAAHOMIAD-OLZOCXBDSA-N 0 1 376.428 3.490 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598630002 994159186 /nfs/dbraw/zinc/15/91/86/994159186.db2.gz DAMHTOKWADWLDL-RTBURBONSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598630002 994159192 /nfs/dbraw/zinc/15/91/92/994159192.db2.gz DAMHTOKWADWLDL-RTBURBONSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598630001 994159525 /nfs/dbraw/zinc/15/95/25/994159525.db2.gz DAMHTOKWADWLDL-RBUKOAKNSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598630001 994159529 /nfs/dbraw/zinc/15/95/29/994159529.db2.gz DAMHTOKWADWLDL-RBUKOAKNSA-N 0 1 381.476 3.324 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599628187 994179410 /nfs/dbraw/zinc/17/94/10/994179410.db2.gz GZENMKMJNJUANB-DYESRHJHSA-N 0 1 385.460 3.143 20 0 GGADMN COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-])CC2 ZINC001599628317 994180867 /nfs/dbraw/zinc/18/08/67/994180867.db2.gz NGBLYZFRJDAHHX-ZDUSSCGKSA-N 0 1 388.489 3.191 20 0 GGADMN COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-])CC2 ZINC001599628317 994180873 /nfs/dbraw/zinc/18/08/73/994180873.db2.gz NGBLYZFRJDAHHX-ZDUSSCGKSA-N 0 1 388.489 3.191 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598632271 994189333 /nfs/dbraw/zinc/18/93/33/994189333.db2.gz UULVXQFFOJURCW-SFHVURJKSA-N 0 1 385.489 3.313 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598632271 994189338 /nfs/dbraw/zinc/18/93/38/994189338.db2.gz UULVXQFFOJURCW-SFHVURJKSA-N 0 1 385.489 3.313 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)N[C@H](C)c1ccccc1 ZINC001593207601 994217785 /nfs/dbraw/zinc/21/77/85/994217785.db2.gz DBAWVOSGXIYMOH-SPYBWZPUSA-N 0 1 380.444 3.284 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC001593209008 994233932 /nfs/dbraw/zinc/23/39/32/994233932.db2.gz GWNZFPZENSNOLH-IUCAKERBSA-N 0 1 383.832 3.090 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC001593209218 994236808 /nfs/dbraw/zinc/23/68/08/994236808.db2.gz LMDQGCLCAAAESK-AMIZOPFISA-N 0 1 388.276 3.062 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC001593210774 994253798 /nfs/dbraw/zinc/25/37/98/994253798.db2.gz SIMCKSOMHZWKIA-PELKAZGASA-N 0 1 388.276 3.062 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC001593210779 994254218 /nfs/dbraw/zinc/25/42/18/994254218.db2.gz SIMCKSOMHZWKIA-UFBFGSQYSA-N 0 1 388.276 3.062 20 0 GGADMN COc1ccc2c(c1)[nH+]c(NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)n2Cc1ccccc1 ZINC001599634006 994259773 /nfs/dbraw/zinc/25/97/73/994259773.db2.gz QSQPTLYIKPBORI-RHSMWYFYSA-N 0 1 387.386 3.471 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC001593211170 994262311 /nfs/dbraw/zinc/26/23/11/994262311.db2.gz VORKDLCXEBPWEO-XHDPSFHLSA-N 0 1 387.823 3.094 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC001593211423 994266841 /nfs/dbraw/zinc/26/68/41/994266841.db2.gz XDIKZLIHCWYEHY-AUUYWEPGSA-N 0 1 395.484 3.423 20 0 GGADMN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598640717 994314102 /nfs/dbraw/zinc/31/41/02/994314102.db2.gz OWCUKDGGZVDNBY-KRWDZBQOSA-N 0 1 387.505 3.389 20 0 GGADMN C[C@@H]([NH2+]C1CCC(CC(=O)[O-])CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593225688 994348267 /nfs/dbraw/zinc/34/82/67/994348267.db2.gz WMMCSGJLBYAAKD-KLHKWILBSA-N 0 1 377.504 3.262 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC001593236270 994402777 /nfs/dbraw/zinc/40/27/77/994402777.db2.gz BTZPDLYVUWCBCV-LLVKDONJSA-N 0 1 388.374 3.419 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)N2CCCc3ccccc32)c1 ZINC001599646574 994432320 /nfs/dbraw/zinc/43/23/20/994432320.db2.gz AIHREQYIMKPDSV-NRFANRHFSA-N 0 1 382.460 3.122 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC001599647185 994441558 /nfs/dbraw/zinc/44/15/58/994441558.db2.gz NMUXICFIXYQXDY-YJBOKZPZSA-N 0 1 376.497 3.037 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001599647371 994443961 /nfs/dbraw/zinc/44/39/61/994443961.db2.gz PZQFRKKONXTIES-YOEHRIQHSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCc2cccc3c2OC(F)(F)O3)c1 ZINC001599648101 994454532 /nfs/dbraw/zinc/45/45/32/994454532.db2.gz ZEVQNKOTMZAQST-MRXNPFEDSA-N 0 1 379.359 3.317 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC001593246738 994456735 /nfs/dbraw/zinc/45/67/35/994456735.db2.gz OJXXLMAHJLVGNZ-WMLDXEAASA-N 0 1 382.416 3.130 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001599648935 994466660 /nfs/dbraw/zinc/46/66/60/994466660.db2.gz AVACPFUZINJGTK-CVEARBPZSA-N 0 1 378.469 3.056 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001599649210 994470125 /nfs/dbraw/zinc/47/01/25/994470125.db2.gz CLITVDSZCTUSJO-YOEHRIQHSA-N 0 1 378.469 3.058 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC001599650252 994487438 /nfs/dbraw/zinc/48/74/38/994487438.db2.gz LPBHUPPCVXPBES-KBRIMQKVSA-N 0 1 378.469 3.056 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001599650658 994493144 /nfs/dbraw/zinc/49/31/44/994493144.db2.gz NRGIFZJJGKPPOD-JKIFEVAISA-N 0 1 378.469 3.151 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650782 994495139 /nfs/dbraw/zinc/49/51/39/994495139.db2.gz OAAXGUZWENQIFK-DOTOQJQBSA-N 0 1 378.469 3.152 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC001599651114 994501466 /nfs/dbraw/zinc/50/14/66/994501466.db2.gz SJXATMRVGGVHTB-GOSISDBHSA-N 0 1 386.839 3.187 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)c1 ZINC001599651206 994502610 /nfs/dbraw/zinc/50/26/10/994502610.db2.gz UUYLQJAKBBMHAX-HXUWFJFHSA-N 0 1 383.400 3.068 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC001599651548 994511610 /nfs/dbraw/zinc/51/16/10/994511610.db2.gz ZNRIAIJTCIYJRM-KYJSFNMBSA-N 0 1 392.496 3.256 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])NC(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC001599652302 994524300 /nfs/dbraw/zinc/52/43/00/994524300.db2.gz LAPVMFZYQFIHQY-FQEVSTJZSA-N 0 1 382.420 3.163 20 0 GGADMN CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001598656351 994528591 /nfs/dbraw/zinc/52/85/91/994528591.db2.gz ZKMMJLLLTUIKEF-KRWDZBQOSA-N 0 1 380.469 3.272 20 0 GGADMN CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001598656351 994528603 /nfs/dbraw/zinc/52/86/03/994528603.db2.gz ZKMMJLLLTUIKEF-KRWDZBQOSA-N 0 1 380.469 3.272 20 0 GGADMN C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001593285092 994634212 /nfs/dbraw/zinc/63/42/12/994634212.db2.gz AZQDMPFCJMKRPX-SECBINFHSA-N 0 1 391.777 3.407 20 0 GGADMN COc1cccc([C@H](O)C2CC[NH+](Cc3nc4cc(C(=O)[O-])ccc4[nH]3)CC2)c1 ZINC001599660402 994647634 /nfs/dbraw/zinc/64/76/34/994647634.db2.gz RXXVCKGJLRQJET-OAQYLSRUSA-N 0 1 395.459 3.215 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593289380 994663704 /nfs/dbraw/zinc/66/37/04/994663704.db2.gz RPRWYGQTAKANRQ-GFCCVEGCSA-N 0 1 396.896 3.139 20 0 GGADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccc(Br)cc1OCCCO ZINC001593289584 994665305 /nfs/dbraw/zinc/66/53/05/994665305.db2.gz VAQVQCCJEINSRA-NSHDSACASA-N 0 1 398.253 3.352 20 0 GGADMN C[C@]([NH2+]Cc1cc2c(cc1Br)OCO2)(C(=O)[O-])c1ccc(F)cc1 ZINC001593291697 994670131 /nfs/dbraw/zinc/67/01/31/994670131.db2.gz BCABCISYQFXJCO-QGZVFWFLSA-N 0 1 396.212 3.407 20 0 GGADMN C[C@@]([NH2+]Cc1ccc(C(=O)[O-])c2cccnc12)(C(N)=O)c1cccc(Cl)c1 ZINC001593293009 994681444 /nfs/dbraw/zinc/68/14/44/994681444.db2.gz RQAOLPDGQUROIC-FQEVSTJZSA-N 0 1 383.835 3.077 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccc(Br)cc1OCCCO ZINC001593297487 994703687 /nfs/dbraw/zinc/70/36/87/994703687.db2.gz VXWGDBWZJGCTQF-NSHDSACASA-N 0 1 398.253 3.352 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C2CC2)c1 ZINC001599665445 994721787 /nfs/dbraw/zinc/72/17/87/994721787.db2.gz GANJVFUDSXRPLT-PMACEKPBSA-N 0 1 398.434 3.240 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(I)c1)c1ncc(C(=O)[O-])s1 ZINC001593303824 994739556 /nfs/dbraw/zinc/73/95/56/994739556.db2.gz GNVLGPWOUSEVSJ-MRVPVSSYSA-N 0 1 388.230 3.297 20 0 GGADMN COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666739 994742831 /nfs/dbraw/zinc/74/28/31/994742831.db2.gz IXMXVABLFBVBHH-VLIAUNLRSA-N 0 1 380.444 3.390 20 0 GGADMN COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666739 994742842 /nfs/dbraw/zinc/74/28/42/994742842.db2.gz IXMXVABLFBVBHH-VLIAUNLRSA-N 0 1 380.444 3.390 20 0 GGADMN COc1cccc([C@@H]2CC(=O)N(C[N@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])C2)c1 ZINC001599666826 994743575 /nfs/dbraw/zinc/74/35/75/994743575.db2.gz KQEZUBYINLQRLL-YLJYHZDGSA-N 0 1 396.487 3.192 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599667612 994756288 /nfs/dbraw/zinc/75/62/88/994756288.db2.gz RMTARISVQRNNDV-PXNSSMCTSA-N 0 1 397.475 3.046 20 0 GGADMN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(N2CCCC2)c1 ZINC001593311353 994781086 /nfs/dbraw/zinc/78/10/86/994781086.db2.gz FWGUSRVLIWDJGZ-AWEZNQCLSA-N 0 1 392.459 3.485 20 0 GGADMN COc1nsc(C[N@@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)c1C(=O)[O-] ZINC001599673767 994859810 /nfs/dbraw/zinc/85/98/10/994859810.db2.gz UOCQPCKFXMLAPJ-OAHLLOKOSA-N 0 1 392.477 3.040 20 0 GGADMN COc1nsc(C[N@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)c1C(=O)[O-] ZINC001599673767 994859822 /nfs/dbraw/zinc/85/98/22/994859822.db2.gz UOCQPCKFXMLAPJ-OAHLLOKOSA-N 0 1 392.477 3.040 20 0 GGADMN COc1cccc(COc2ccc(C[N@H+]3CC[C@@]4(CC(C(=O)[O-])=NO4)C3)cc2)c1 ZINC001599677330 994918908 /nfs/dbraw/zinc/91/89/08/994918908.db2.gz XKDFCXXDUGCDGA-JOCHJYFZSA-N 0 1 396.443 3.080 20 0 GGADMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001598682529 994952092 /nfs/dbraw/zinc/95/20/92/994952092.db2.gz AAGAUGVTKUTPHP-YRYLYKBFSA-N 0 1 375.465 3.074 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593353627 994983526 /nfs/dbraw/zinc/98/35/26/994983526.db2.gz CCZHBTIMKSQIPQ-KWCYVHTRSA-N 0 1 383.370 3.054 20 0 GGADMN COc1cccc(OCC[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1 ZINC001599682193 995000047 /nfs/dbraw/zinc/00/00/47/995000047.db2.gz NUDPTIUCKMKFDA-ZWKOTPCHSA-N 0 1 377.387 3.152 20 0 GGADMN COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cn1 ZINC001599682440 995004381 /nfs/dbraw/zinc/00/43/81/995004381.db2.gz OFAQQIBJURTIGR-UHFFFAOYSA-N 0 1 384.388 3.472 20 0 GGADMN C[C@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593359989 995021237 /nfs/dbraw/zinc/02/12/37/995021237.db2.gz MDPUPGYATATXMT-SDADXPQNSA-N 0 1 377.460 3.160 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001598688792 995032556 /nfs/dbraw/zinc/03/25/56/995032556.db2.gz IOLUPNLNWBJNFR-IRXDYDNUSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001598689989 995049213 /nfs/dbraw/zinc/04/92/13/995049213.db2.gz UIKICLQVVLAYQS-IRXDYDNUSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](C)Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001598690666 995060829 /nfs/dbraw/zinc/06/08/29/995060829.db2.gz OPOWVPBMLAQHLA-IRXDYDNUSA-N 0 1 385.460 3.350 20 0 GGADMN C[C@](O)(C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(Br)cc1F ZINC001593396550 995142038 /nfs/dbraw/zinc/14/20/38/995142038.db2.gz PNHPRBQDKDYIDE-PVAVHDDUSA-N 0 1 386.261 3.125 20 0 GGADMN COC(=O)[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715384 995400151 /nfs/dbraw/zinc/40/01/51/995400151.db2.gz FJNJZMIWYPYZHM-LZLYRXPVSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715384 995400155 /nfs/dbraw/zinc/40/01/55/995400155.db2.gz FJNJZMIWYPYZHM-LZLYRXPVSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@@H](c1ccccc1C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598715843 995406674 /nfs/dbraw/zinc/40/66/74/995406674.db2.gz QJLYBTHNACDKGY-YQVWRLOYSA-N 0 1 389.398 3.288 20 0 GGADMN COC(=O)[C@@H](c1ccccc1C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598715843 995406685 /nfs/dbraw/zinc/40/66/85/995406685.db2.gz QJLYBTHNACDKGY-YQVWRLOYSA-N 0 1 389.398 3.288 20 0 GGADMN C[C@@H](O)c1ncc(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)s1 ZINC001593482623 995433038 /nfs/dbraw/zinc/43/30/38/995433038.db2.gz SMLOTPXONNYYJP-LLVKDONJSA-N 0 1 399.310 3.436 20 0 GGADMN C[C@@H](O)c1ncc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)s1 ZINC001593482623 995433045 /nfs/dbraw/zinc/43/30/45/995433045.db2.gz SMLOTPXONNYYJP-LLVKDONJSA-N 0 1 399.310 3.436 20 0 GGADMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001598719558 995460579 /nfs/dbraw/zinc/46/05/79/995460579.db2.gz ZIUJGELGFLETPP-BXUZGUMPSA-N 0 1 399.287 3.259 20 0 GGADMN C[C@@H](OC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1nc(C(=O)[O-])co1 ZINC001593503766 995516126 /nfs/dbraw/zinc/51/61/26/995516126.db2.gz ZGOOPBDETJPHGF-OCCSQVGLSA-N 0 1 376.384 3.028 20 0 GGADMN C[C@@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1nc(C(=O)[O-])co1 ZINC001593503771 995516402 /nfs/dbraw/zinc/51/64/02/995516402.db2.gz ZGOOPBDETJPHGF-TZMCWYRMSA-N 0 1 376.384 3.028 20 0 GGADMN C[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001593604210 995775455 /nfs/dbraw/zinc/77/54/55/995775455.db2.gz NFAUIUNWNWZTPI-ACJLOTCBSA-N 0 1 378.856 3.004 20 0 GGADMN C[C@@H](OCCCNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608552 995797274 /nfs/dbraw/zinc/79/72/74/995797274.db2.gz KBVULKFWDCEMQL-IEBWSBKVSA-N 0 1 390.524 3.093 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001593614899 995827227 /nfs/dbraw/zinc/82/72/27/995827227.db2.gz DGTKYBHYOZQZOL-UPRAQXHNSA-N 0 1 375.852 3.500 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615195 995829268 /nfs/dbraw/zinc/82/92/68/995829268.db2.gz FQPGJRLJXHNTRN-MEQKGCOVSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H](Oc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615195 995829272 /nfs/dbraw/zinc/82/92/72/995829272.db2.gz FQPGJRLJXHNTRN-MEQKGCOVSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC001593615318 995831875 /nfs/dbraw/zinc/83/18/75/995831875.db2.gz HEHFAHMJEVEBPX-RVKKMQEKSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615388 995832603 /nfs/dbraw/zinc/83/26/03/995832603.db2.gz JBYRENDJCRBYIB-RVKKMQEKSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1)C(=O)[O-] ZINC001593615484 995833560 /nfs/dbraw/zinc/83/35/60/995833560.db2.gz MBWDSMQHIQRLOP-HSQYWUDLSA-N 0 1 383.488 3.497 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1)C(=O)[O-] ZINC001593615483 995833789 /nfs/dbraw/zinc/83/37/89/995833789.db2.gz MBWDSMQHIQRLOP-BULFRSBZSA-N 0 1 383.488 3.497 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1)C(=O)[O-] ZINC001593615715 995838229 /nfs/dbraw/zinc/83/82/29/995838229.db2.gz MFSQODJKTYZYOT-AOMKIAJQSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001593616344 995847708 /nfs/dbraw/zinc/84/77/08/995847708.db2.gz XRHCRRJFZZSZFG-BHYGNILZSA-N 0 1 390.480 3.122 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001593616344 995847712 /nfs/dbraw/zinc/84/77/12/995847712.db2.gz XRHCRRJFZZSZFG-BHYGNILZSA-N 0 1 390.480 3.122 20 0 GGADMN C[C@H](Oc1ccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)cc1)C(=O)[O-] ZINC001593617984 995856238 /nfs/dbraw/zinc/85/62/38/995856238.db2.gz RWZQOLYISILCDG-OXJNMPFZSA-N 0 1 379.460 3.346 20 0 GGADMN C[C@@H](Oc1ccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)cc1)C(=O)[O-] ZINC001593617985 995856560 /nfs/dbraw/zinc/85/65/60/995856560.db2.gz RWZQOLYISILCDG-OXQOHEQNSA-N 0 1 379.460 3.346 20 0 GGADMN C[C@@H](Oc1ccc(CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1)C(=O)[O-] ZINC001593619156 995859637 /nfs/dbraw/zinc/85/96/37/995859637.db2.gz ADRDPQCSFZUBIR-UTKZUKDTSA-N 0 1 395.503 3.435 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1F)C(=O)[O-] ZINC001593632262 995919108 /nfs/dbraw/zinc/91/91/08/995919108.db2.gz SJAAFYNVMUPWKV-AZOIQLNYSA-N 0 1 386.423 3.309 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778188 995953373 /nfs/dbraw/zinc/95/33/73/995953373.db2.gz NWRCVUUBRTZGBA-OXQOHEQNSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778188 995953382 /nfs/dbraw/zinc/95/33/82/995953382.db2.gz NWRCVUUBRTZGBA-OXQOHEQNSA-N 0 1 399.443 3.196 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644547 995962386 /nfs/dbraw/zinc/96/23/86/995962386.db2.gz LSQZVEJGLUQWKQ-BTYIYWSLSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644488 995962801 /nfs/dbraw/zinc/96/28/01/995962801.db2.gz KXZARTZFPMOJFQ-VQIMIIECSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644488 995962805 /nfs/dbraw/zinc/96/28/05/995962805.db2.gz KXZARTZFPMOJFQ-VQIMIIECSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644550 995963722 /nfs/dbraw/zinc/96/37/22/995963722.db2.gz LSQZVEJGLUQWKQ-YCRPNKLZSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593644777 995966312 /nfs/dbraw/zinc/96/63/12/995966312.db2.gz MXVRMHWOVJUUMY-RDJZCZTQSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644814 995966733 /nfs/dbraw/zinc/96/67/33/995966733.db2.gz NBNDSQNXNBIKPJ-HZPDHXFCSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@H](Oc1ccccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1)C(=O)[O-] ZINC001593646008 995979502 /nfs/dbraw/zinc/97/95/02/995979502.db2.gz UUQJXKIEMXCOOQ-AWEZNQCLSA-N 0 1 391.414 3.300 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646685 995988435 /nfs/dbraw/zinc/98/84/35/995988435.db2.gz ZXZHDDFYWQGFJB-YQQAZPJKSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@@H](Oc1ccccc1C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC001593646734 995989039 /nfs/dbraw/zinc/98/90/39/995989039.db2.gz VKPNTPWJOIZPQG-QGZVFWFLSA-N 0 1 393.487 3.338 20 0 GGADMN C[C@H](Oc1ccccc1C[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC001593646733 995989211 /nfs/dbraw/zinc/98/92/11/995989211.db2.gz VKPNTPWJOIZPQG-KRWDZBQOSA-N 0 1 393.487 3.338 20 0 GGADMN C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593663299 996044114 /nfs/dbraw/zinc/04/41/14/996044114.db2.gz KXZJVSUVYMACDF-QFBILLFUSA-N 0 1 398.528 3.397 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C(=O)[O-] ZINC001593672859 996079917 /nfs/dbraw/zinc/07/99/17/996079917.db2.gz KPZDFMWEFYIMQG-ZBFHGGJFSA-N 0 1 376.522 3.104 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001593672976 996080523 /nfs/dbraw/zinc/08/05/23/996080523.db2.gz NVUQEKOEKXZKHG-WDYCEAGBSA-N 0 1 398.528 3.327 20 0 GGADMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001598797721 996119812 /nfs/dbraw/zinc/11/98/12/996119812.db2.gz CVBFUJUTMVNCNN-GXFFZTMASA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001598797721 996119815 /nfs/dbraw/zinc/11/98/15/996119815.db2.gz CVBFUJUTMVNCNN-GXFFZTMASA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC001598798286 996122784 /nfs/dbraw/zinc/12/27/84/996122784.db2.gz DRRDSYBRMVBMIR-GWCFXTLKSA-N 0 1 392.304 3.424 20 0 GGADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001593686688 996123996 /nfs/dbraw/zinc/12/39/96/996123996.db2.gz LUYQHEKQUKJAPT-HNAYVOBHSA-N 0 1 392.455 3.464 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001598801340 996140347 /nfs/dbraw/zinc/14/03/47/996140347.db2.gz BGMWQZBUDFQWCQ-CRAIPNDOSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC001593692930 996141666 /nfs/dbraw/zinc/14/16/66/996141666.db2.gz GXGBBYWAZFEUMX-HNNXBMFYSA-N 0 1 390.430 3.461 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)[C@H](C(=O)[O-])C1 ZINC001598802482 996151566 /nfs/dbraw/zinc/15/15/66/996151566.db2.gz GVGSVYQTLUXBHH-CJNGLKHVSA-N 0 1 377.437 3.392 20 0 GGADMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC001593697303 996154973 /nfs/dbraw/zinc/15/49/73/996154973.db2.gz IHBRZDJTFOQNTL-ZDUSSCGKSA-N 0 1 394.518 3.179 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC001593697405 996156526 /nfs/dbraw/zinc/15/65/26/996156526.db2.gz JZBIZADYKYIEJO-NMSZZDKCSA-N 0 1 396.462 3.288 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001593697784 996157660 /nfs/dbraw/zinc/15/76/60/996157660.db2.gz OSKPYNQYGWZIEQ-SWLSCSKDSA-N 0 1 396.434 3.279 20 0 GGADMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC001593697839 996158448 /nfs/dbraw/zinc/15/84/48/996158448.db2.gz QSOWXUPSTMCBGH-ZDUSSCGKSA-N 0 1 394.518 3.179 20 0 GGADMN C[C@@H](c1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001593698152 996161156 /nfs/dbraw/zinc/16/11/56/996161156.db2.gz ATQNEVNXROUNQB-YOEHRIQHSA-N 0 1 377.485 3.091 20 0 GGADMN C[C@@H](c1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001593698150 996161183 /nfs/dbraw/zinc/16/11/83/996161183.db2.gz ATQNEVNXROUNQB-WMLDXEAASA-N 0 1 377.485 3.091 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC001598803693 996164225 /nfs/dbraw/zinc/16/42/25/996164225.db2.gz NUSAULLVRDCZCN-SJLPKXTDSA-N 0 1 384.432 3.021 20 0 GGADMN C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC001593704008 996182327 /nfs/dbraw/zinc/18/23/27/996182327.db2.gz WZGANJSWDBBBEQ-OAHLLOKOSA-N 0 1 384.432 3.413 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001593705704 996192185 /nfs/dbraw/zinc/19/21/85/996192185.db2.gz KJPNEDJHBYZQIR-RMHQSFGDSA-N 0 1 396.487 3.315 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001593705704 996192190 /nfs/dbraw/zinc/19/21/90/996192190.db2.gz KJPNEDJHBYZQIR-RMHQSFGDSA-N 0 1 396.487 3.315 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711062 996211583 /nfs/dbraw/zinc/21/15/83/996211583.db2.gz PLVUIYFTUBEVTC-CRAIPNDOSA-N 0 1 383.448 3.107 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711069 996211781 /nfs/dbraw/zinc/21/17/81/996211781.db2.gz PLVUIYFTUBEVTC-QAPCUYQASA-N 0 1 383.448 3.107 20 0 GGADMN C[C@@H](c1cccs1)[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001593723274 996256804 /nfs/dbraw/zinc/25/68/04/996256804.db2.gz PPTVGVAPUCOROE-UGSOOPFHSA-N 0 1 385.489 3.476 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593725002 996272268 /nfs/dbraw/zinc/27/22/68/996272268.db2.gz KVHDTOFCCJQRKW-STQMWFEESA-N 0 1 390.415 3.107 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593725002 996272271 /nfs/dbraw/zinc/27/22/71/996272271.db2.gz KVHDTOFCCJQRKW-STQMWFEESA-N 0 1 390.415 3.107 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001593728307 996289262 /nfs/dbraw/zinc/28/92/62/996289262.db2.gz FCYLAYOIFLLPBI-DPMMWBKBSA-N 0 1 379.457 3.013 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001593728307 996289267 /nfs/dbraw/zinc/28/92/67/996289267.db2.gz FCYLAYOIFLLPBI-DPMMWBKBSA-N 0 1 379.457 3.013 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731722 996303999 /nfs/dbraw/zinc/30/39/99/996303999.db2.gz IERSVFZHPPQYJM-FRRDWIJNSA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731722 996304004 /nfs/dbraw/zinc/30/40/04/996304004.db2.gz IERSVFZHPPQYJM-FRRDWIJNSA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001593733640 996319649 /nfs/dbraw/zinc/31/96/49/996319649.db2.gz KCWYHRUJHWDAMO-USWWRNFRSA-N 0 1 385.247 3.477 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734435 996323984 /nfs/dbraw/zinc/32/39/84/996323984.db2.gz VPTSIBCVEPZVSE-SJCJKPOMSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734435 996323989 /nfs/dbraw/zinc/32/39/89/996323989.db2.gz VPTSIBCVEPZVSE-SJCJKPOMSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734434 996324376 /nfs/dbraw/zinc/32/43/76/996324376.db2.gz VPTSIBCVEPZVSE-PXAZEXFGSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734434 996324380 /nfs/dbraw/zinc/32/43/80/996324380.db2.gz VPTSIBCVEPZVSE-PXAZEXFGSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001593736611 996327360 /nfs/dbraw/zinc/32/73/60/996327360.db2.gz DHMWUNWFEFCORZ-JHJVBQTASA-N 0 1 383.514 3.385 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001593738160 996343745 /nfs/dbraw/zinc/34/37/45/996343745.db2.gz XICCCDITIQSCAS-XQQFMLRXSA-N 0 1 381.498 3.091 20 0 GGADMN COC(=O)[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])Cc2ccccc21 ZINC001598826365 996386897 /nfs/dbraw/zinc/38/68/97/996386897.db2.gz GSKSADLBWKDONR-GOSISDBHSA-N 0 1 396.418 3.288 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001593769569 996456758 /nfs/dbraw/zinc/45/67/58/996456758.db2.gz SFUCKPZTYVTJBI-NVJIOZQYSA-N 0 1 399.535 3.183 20 0 GGADMN COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC001598833765 996463786 /nfs/dbraw/zinc/46/37/86/996463786.db2.gz DMIJEMHHPXFEAL-KOQZAGCLSA-N 0 1 387.476 3.217 20 0 GGADMN C[C@]1(C(N)=O)CC[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])C1 ZINC001593816330 996554683 /nfs/dbraw/zinc/55/46/83/996554683.db2.gz TUNALBVSTNKXGD-QHCPKHFHSA-N 0 1 389.455 3.297 20 0 GGADMN COC(=O)CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598848076 996581038 /nfs/dbraw/zinc/58/10/38/996581038.db2.gz GPBFCFXYAHWHAQ-MLGOLLRUSA-N 0 1 384.270 3.240 20 0 GGADMN COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001598849654 996592517 /nfs/dbraw/zinc/59/25/17/996592517.db2.gz RFQQASRAFQIINC-GFCCVEGCSA-N 0 1 384.270 3.313 20 0 GGADMN CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001593837248 996594583 /nfs/dbraw/zinc/59/45/83/996594583.db2.gz GFCSHDXZBABULM-UWCCDQBKSA-N 0 1 392.496 3.285 20 0 GGADMN COC(=O)CCC[N@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC001598852285 996614618 /nfs/dbraw/zinc/61/46/18/996614618.db2.gz NHVOHLHFNVEKHJ-UHFFFAOYSA-N 0 1 381.432 3.217 20 0 GGADMN COC(=O)CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC001598852285 996614621 /nfs/dbraw/zinc/61/46/21/996614621.db2.gz NHVOHLHFNVEKHJ-UHFFFAOYSA-N 0 1 381.432 3.217 20 0 GGADMN COC(=O)CC[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC001598855676 996636493 /nfs/dbraw/zinc/63/64/93/996636493.db2.gz XQVCDGPJGKZIFM-UHFFFAOYSA-N 0 1 391.851 3.482 20 0 GGADMN CC1(C)C[C@H](O)C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593861862 996656675 /nfs/dbraw/zinc/65/66/75/996656675.db2.gz LIEKLUXJGFHTGQ-ZDUSSCGKSA-N 0 1 398.290 3.470 20 0 GGADMN COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001598867053 996713645 /nfs/dbraw/zinc/71/36/45/996713645.db2.gz ZEQTVADCDGOUFF-HNNXBMFYSA-N 0 1 390.461 3.039 20 0 GGADMN COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001598867053 996713649 /nfs/dbraw/zinc/71/36/49/996713649.db2.gz ZEQTVADCDGOUFF-HNNXBMFYSA-N 0 1 390.461 3.039 20 0 GGADMN CC1(C)CCC[N@@H+](CCNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001593910448 996792459 /nfs/dbraw/zinc/79/24/59/996792459.db2.gz SFCYSFONSUPACC-UHFFFAOYSA-N 0 1 388.512 3.229 20 0 GGADMN COC[C@H]([NH2+]CC(=O)Nc1cc(C(=O)[O-])ccc1C)c1cccc(Cl)c1 ZINC001599174288 996812526 /nfs/dbraw/zinc/81/25/26/996812526.db2.gz VHCGATGAYUPCJW-KRWDZBQOSA-N 0 1 376.840 3.262 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC001599380403 996829951 /nfs/dbraw/zinc/82/99/51/996829951.db2.gz HZZLFNFAGQLJSI-SJLPKXTDSA-N 0 1 387.476 3.443 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001599380829 996839491 /nfs/dbraw/zinc/83/94/91/996839491.db2.gz NEWDGQHXXOKWKA-RTBURBONSA-N 0 1 385.460 3.279 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC001599075573 996852937 /nfs/dbraw/zinc/85/29/37/996852937.db2.gz AQFMCRWXXXXPNG-JDNHERCYSA-N 0 1 386.235 3.280 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC001599075574 996853016 /nfs/dbraw/zinc/85/30/16/996853016.db2.gz AQFMCRWXXXXPNG-XXFAHNHDSA-N 0 1 386.235 3.280 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](OC)C[C@@H]3C(=O)[O-])c2)cc1 ZINC001599486898 996865995 /nfs/dbraw/zinc/86/59/95/996865995.db2.gz FDBKMUPJJYYOGO-WOJBJXKFSA-N 0 1 398.459 3.012 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@H+](C[C@@H](CN(C)Cc2ccccc2)c2ccccc2)C1 ZINC001599077147 996899612 /nfs/dbraw/zinc/89/96/12/996899612.db2.gz FBNLKLWDBRMPTG-GGAORHGYSA-N 0 1 382.504 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QHPRMHBLVBXPKB-JKSUJKDBSA-N 0 1 376.403 3.285 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)C(C)(C)CC(=O)[O-])cc1 ZINC001599539294 997805137 /nfs/dbraw/zinc/80/51/37/997805137.db2.gz RNWHLDAVNXCDKO-GOSISDBHSA-N 0 1 376.497 3.324 20 0 GGADMN COc1c(C)c[nH+]c(CN(C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c1C ZINC001599334442 997809492 /nfs/dbraw/zinc/80/94/92/997809492.db2.gz XDZBCFXRLSRYPD-CYBMUJFWSA-N 0 1 391.493 3.234 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598933238 997810593 /nfs/dbraw/zinc/81/05/93/997810593.db2.gz UNPPYYXNKVOJOQ-QGZVFWFLSA-N 0 1 391.464 3.258 20 0 GGADMN CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)[C@@H](C)C1 ZINC001599125654 997842093 /nfs/dbraw/zinc/84/20/93/997842093.db2.gz QHMIIZILLSMXTF-RWMBFGLXSA-N 0 1 380.510 3.009 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)[C@@H](C)C1 ZINC001599125654 997842106 /nfs/dbraw/zinc/84/21/06/997842106.db2.gz QHMIIZILLSMXTF-RWMBFGLXSA-N 0 1 380.510 3.009 20 0 GGADMN COc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599338040 997872316 /nfs/dbraw/zinc/87/23/16/997872316.db2.gz FZPYQZCYRJMUKH-MRXNPFEDSA-N 0 1 383.448 3.132 20 0 GGADMN COc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1C(=O)[O-] ZINC001599339291 997894547 /nfs/dbraw/zinc/89/45/47/997894547.db2.gz HMIHUBNZUQRSCT-HNNXBMFYSA-N 0 1 383.448 3.132 20 0 GGADMN COc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1C(=O)[O-] ZINC001599339291 997894557 /nfs/dbraw/zinc/89/45/57/997894557.db2.gz HMIHUBNZUQRSCT-HNNXBMFYSA-N 0 1 383.448 3.132 20 0 GGADMN COc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1C(=O)[O-] ZINC001599438635 997894559 /nfs/dbraw/zinc/89/45/59/997894559.db2.gz UOSPOLMJPYPMFU-MRXNPFEDSA-N 0 1 375.469 3.312 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@H]1CC[C@H](C)C1 ZINC001599233157 997898980 /nfs/dbraw/zinc/89/89/80/997898980.db2.gz DVMQGFOOQMGWEA-STQMWFEESA-N 0 1 380.510 3.011 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@@H]1CC[C@@H](C)C1 ZINC001599233315 997901849 /nfs/dbraw/zinc/90/18/49/997901849.db2.gz IOBXSFCYOXAHOX-ZIAGYGMSSA-N 0 1 394.537 3.401 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@H]1CC[C@@H](C)C1 ZINC001599233313 997902156 /nfs/dbraw/zinc/90/21/56/997902156.db2.gz IOBXSFCYOXAHOX-KGLIPLIRSA-N 0 1 394.537 3.401 20 0 GGADMN COc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599439122 997902596 /nfs/dbraw/zinc/90/25/96/997902596.db2.gz ZVGLBIXXFCCJFS-KRWDZBQOSA-N 0 1 383.448 3.180 20 0 GGADMN COc1c(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1C(=O)[O-] ZINC001599340060 997906810 /nfs/dbraw/zinc/90/68/10/997906810.db2.gz CPLYTTROBKKWDJ-GASCZTMLSA-N 0 1 377.485 3.273 20 0 GGADMN COc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1C(=O)[O-] ZINC001599340699 997917583 /nfs/dbraw/zinc/91/75/83/997917583.db2.gz MMKYZEPJYUZCKW-RHSMWYFYSA-N 0 1 383.448 3.178 20 0 GGADMN COc1c(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cccc1C(=O)[O-] ZINC001599341178 997924786 /nfs/dbraw/zinc/92/47/86/997924786.db2.gz PYDVFDLTICBZOZ-OAHLLOKOSA-N 0 1 375.469 3.312 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@]2(C)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598938927 997926256 /nfs/dbraw/zinc/92/62/56/997926256.db2.gz GRRRVBRIAGNYPF-JOCHJYFZSA-N 0 1 396.443 3.121 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@H](c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC001598939541 997939325 /nfs/dbraw/zinc/93/93/25/997939325.db2.gz AABBMHNDLJJLAN-FQEVSTJZSA-N 0 1 398.459 3.439 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc(C(=O)[O-])c1 ZINC001598939578 997939897 /nfs/dbraw/zinc/93/98/97/997939897.db2.gz ARLNZKQZFVXFFI-OAHLLOKOSA-N 0 1 388.464 3.012 20 0 GGADMN CO[C@H]1C[N@@H+](CCCCOc2ccc(Br)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599130831 997939775 /nfs/dbraw/zinc/93/97/75/997939775.db2.gz AFRLSGBGLHESLO-NVXWUHKLSA-N 0 1 386.286 3.172 20 0 GGADMN CO[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@](C)(C(=O)[O-])C1 ZINC001599131214 997949100 /nfs/dbraw/zinc/94/91/00/997949100.db2.gz CIHHAPCDGFMKFT-XLIONFOSSA-N 0 1 391.899 3.266 20 0 GGADMN COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001599238336 997988403 /nfs/dbraw/zinc/98/84/03/997988403.db2.gz URYQVDLJUIIQTF-UHFFFAOYSA-N 0 1 394.427 3.310 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598942109 997992673 /nfs/dbraw/zinc/99/26/73/997992673.db2.gz NWQNYXKSEXIJGN-INIZCTEOSA-N 0 1 396.443 3.022 20 0 GGADMN C[C@]12CN(C(=O)/C=C\c3cc(C(=O)[O-])co3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594087549 998017869 /nfs/dbraw/zinc/01/78/69/998017869.db2.gz ITUFSFKNNUFBIO-TYIDXYQXSA-N 0 1 394.471 3.362 20 0 GGADMN C[C@]12CN(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594087684 998020415 /nfs/dbraw/zinc/02/04/15/998020415.db2.gz KKHUDOWQUVOMSZ-WFJJQWMPSA-N 0 1 394.471 3.362 20 0 GGADMN COc1cc(OC)c(C[NH+]2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cc1F ZINC001599448173 998044776 /nfs/dbraw/zinc/04/47/76/998044776.db2.gz ZYSCEGYWIKNHMR-UHFFFAOYSA-N 0 1 394.468 3.452 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CN3Cc4ccc(C(=O)[O-])cc4C3=O)C2)cc1 ZINC001599553230 998046010 /nfs/dbraw/zinc/04/60/10/998046010.db2.gz QYGWGPQVOHHLPJ-QGZVFWFLSA-N 0 1 394.471 3.261 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450573 998088679 /nfs/dbraw/zinc/08/86/79/998088679.db2.gz HNQATMHVLKCHON-NRFANRHFSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450573 998088683 /nfs/dbraw/zinc/08/86/83/998088683.db2.gz HNQATMHVLKCHON-NRFANRHFSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450573 998088690 /nfs/dbraw/zinc/08/86/90/998088690.db2.gz HNQATMHVLKCHON-NRFANRHFSA-N 0 1 398.503 3.426 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)O1 ZINC001594099660 998100726 /nfs/dbraw/zinc/10/07/26/998100726.db2.gz GQAROLZHSATNDH-QVKFZJNVSA-N 0 1 396.528 3.397 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599451219 998103418 /nfs/dbraw/zinc/10/34/18/998103418.db2.gz XOUHBOCMLIZIGE-DDUZABMNSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC001599451189 998103601 /nfs/dbraw/zinc/10/36/01/998103601.db2.gz WKYQZVPMSRGGRS-QRWLVFNGSA-N 0 1 399.491 3.242 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](CCCOc2ccccc2)C2CCOCC2)O1 ZINC001594100239 998104970 /nfs/dbraw/zinc/10/49/70/998104970.db2.gz MZGFQFRSFKSOGP-LJQANCHMSA-N 0 1 375.465 3.084 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)O1 ZINC001594103186 998128124 /nfs/dbraw/zinc/12/81/24/998128124.db2.gz NVOIWRRGNBPDOX-HZPDHXFCSA-N 0 1 382.501 3.245 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)O1 ZINC001594103504 998134727 /nfs/dbraw/zinc/13/47/27/998134727.db2.gz XYDTWVYAOSZVCH-INIZCTEOSA-N 0 1 394.512 3.247 20 0 GGADMN COc1ccc(C[N@@H+](CCCO)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001599558344 998138005 /nfs/dbraw/zinc/13/80/05/998138005.db2.gz FUPSJCKTHSSRSJ-UHFFFAOYSA-N 0 1 398.253 3.134 20 0 GGADMN COc1ccc(C[N@@H+](CCO)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])cc1 ZINC001599558661 998143751 /nfs/dbraw/zinc/14/37/51/998143751.db2.gz LQPXNRCLXQZVHI-UHFFFAOYSA-N 0 1 386.423 3.019 20 0 GGADMN COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001599559007 998152253 /nfs/dbraw/zinc/15/22/53/998152253.db2.gz UXQJCXLIZSAANR-UHFFFAOYSA-N 0 1 379.460 3.372 20 0 GGADMN COc1ccc(C[N@@H+](CCCO)Cc2ccc(C(=O)[O-])c3cccnc23)cc1 ZINC001599559252 998158023 /nfs/dbraw/zinc/15/80/23/998158023.db2.gz XQOCRCBROILMOI-UHFFFAOYSA-N 0 1 380.444 3.326 20 0 GGADMN COCC(=O)Nc1cccc(C[NH2+][C@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC001599144118 998182783 /nfs/dbraw/zinc/18/27/83/998182783.db2.gz VHARAXROSSBGDH-KRWDZBQOSA-N 0 1 397.258 3.494 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599560716 998188209 /nfs/dbraw/zinc/18/82/09/998188209.db2.gz MRMYHHBDZIVTPN-KRWDZBQOSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599560716 998188214 /nfs/dbraw/zinc/18/82/14/998188214.db2.gz MRMYHHBDZIVTPN-KRWDZBQOSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001599561031 998194767 /nfs/dbraw/zinc/19/47/67/998194767.db2.gz BGKOCWUNMDRFMZ-SFHVURJKSA-N 0 1 398.503 3.255 20 0 GGADMN COc1ccc(CN2CCC[N@H+](Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001599561031 998194775 /nfs/dbraw/zinc/19/47/75/998194775.db2.gz BGKOCWUNMDRFMZ-SFHVURJKSA-N 0 1 398.503 3.255 20 0 GGADMN COc1ccc(CN2CCC[N@@H+](Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001599561031 998194781 /nfs/dbraw/zinc/19/47/81/998194781.db2.gz BGKOCWUNMDRFMZ-SFHVURJKSA-N 0 1 398.503 3.255 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)o1 ZINC001599562949 998234602 /nfs/dbraw/zinc/23/46/02/998234602.db2.gz BJVNSNFRTLBNIY-LSDHHAIUSA-N 0 1 380.238 3.351 20 0 GGADMN COC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001598956196 998246060 /nfs/dbraw/zinc/24/60/60/998246060.db2.gz BLQILIHNJUCVOB-KRWDZBQOSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001598956196 998246070 /nfs/dbraw/zinc/24/60/70/998246070.db2.gz BLQILIHNJUCVOB-KRWDZBQOSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CC(=O)[O-])c3ccncc3)co2)cc1 ZINC001598956460 998249672 /nfs/dbraw/zinc/24/96/72/998249672.db2.gz HXYDGYXSKZHQGE-NRFANRHFSA-N 0 1 395.415 3.003 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CC(=O)[O-])c3ccncc3)co2)cc1 ZINC001598956461 998250023 /nfs/dbraw/zinc/25/00/23/998250023.db2.gz HXYDGYXSKZHQGE-OAQYLSRUSA-N 0 1 395.415 3.003 20 0 GGADMN COC(=O)c1ccc(Br)c(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001598956595 998252741 /nfs/dbraw/zinc/25/27/41/998252741.db2.gz QQCOCWRRGLGBGY-PBHICJAKSA-N 0 1 382.254 3.065 20 0 GGADMN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598957088 998262349 /nfs/dbraw/zinc/26/23/49/998262349.db2.gz WAFQYADILQVCLM-MRXNPFEDSA-N 0 1 395.415 3.253 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cs2)cc1 ZINC001598957100 998263673 /nfs/dbraw/zinc/26/36/73/998263673.db2.gz WPMVJALHWYLNFJ-YWZLYKJASA-N 0 1 386.473 3.283 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599564807 998265885 /nfs/dbraw/zinc/26/58/85/998265885.db2.gz ULTMNBMDSRSCRY-FQEVSTJZSA-N 0 1 377.444 3.124 20 0 GGADMN COC(=O)c1cc2cc(C[N@H+](C)[C@H](C(=O)[O-])c3cccc(OC)c3)ccc2o1 ZINC001598958092 998282161 /nfs/dbraw/zinc/28/21/61/998282161.db2.gz VHFFNGXQTXIDBP-IBGZPJMESA-N 0 1 383.400 3.486 20 0 GGADMN COC(=O)c1cc2cc(C[N@@H+](C)[C@H](C(=O)[O-])c3cccc(OC)c3)ccc2o1 ZINC001598958092 998282172 /nfs/dbraw/zinc/28/21/72/998282172.db2.gz VHFFNGXQTXIDBP-IBGZPJMESA-N 0 1 383.400 3.486 20 0 GGADMN 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O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc2cc[nH]c2n1 ZINC000541167828 564267599 /nfs/dbraw/zinc/26/75/99/564267599.db2.gz SSWPXFBQTMBGCM-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000012560730 564269543 /nfs/dbraw/zinc/26/95/43/564269543.db2.gz GBMJZHIUELSBDU-UHFFFAOYSA-N 0 1 395.278 3.377 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000119613170 564278881 /nfs/dbraw/zinc/27/88/81/564278881.db2.gz VKZZFIWGUHBUOD-UHFFFAOYSA-N 0 1 391.313 3.444 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000119626095 564280297 /nfs/dbraw/zinc/28/02/97/564280297.db2.gz MBLBEEJBAFDKPH-UHFFFAOYSA-N 0 1 377.796 3.444 20 0 GGADMN O=C(NCc1ccc(Br)c(F)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000119660243 564281908 /nfs/dbraw/zinc/28/19/08/564281908.db2.gz DCALKTHEFQZDLF-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000016100054 564291839 /nfs/dbraw/zinc/29/18/39/564291839.db2.gz REHCSKCFOFQPTG-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN C[C@@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)N1CCC[C@@H](C)C1 ZINC000119883046 564292881 /nfs/dbraw/zinc/29/28/81/564292881.db2.gz YJEAGKFOECDEQV-CABCVRRESA-N 0 1 382.957 3.493 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000541904847 564294879 /nfs/dbraw/zinc/29/48/79/564294879.db2.gz XHJOZGOTFMYQFH-VIFPVBQESA-N 0 1 398.232 3.305 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)cc(F)c1 ZINC000119967569 564297952 /nfs/dbraw/zinc/29/79/52/564297952.db2.gz FFYRNFSGFYTTHC-CYBMUJFWSA-N 0 1 386.489 3.217 20 0 GGADMN Cc1ccc(F)cc1S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000119966031 564298058 /nfs/dbraw/zinc/29/80/58/564298058.db2.gz JOHJVTZCBLDICY-OAHLLOKOSA-N 0 1 382.526 3.386 20 0 GGADMN Cc1cscc1NC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000119985889 564298714 /nfs/dbraw/zinc/29/87/14/564298714.db2.gz HEGDPWPPDVMAMG-UHFFFAOYSA-N 0 1 375.519 3.183 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000120011018 564300167 /nfs/dbraw/zinc/30/01/67/564300167.db2.gz OQRQOICPEFAXOF-ZDUSSCGKSA-N 0 1 381.881 3.063 20 0 GGADMN O=S(=O)(NCCNC1(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000120031549 564301035 /nfs/dbraw/zinc/30/10/35/564301035.db2.gz LKDWNJPUIALZIX-UHFFFAOYSA-N 0 1 395.322 3.006 20 0 GGADMN Cc1csc2nc(CN3CC[C@H](Oc4cccc(Cl)c4)C3)cc(=O)n12 ZINC000120091052 564303776 /nfs/dbraw/zinc/30/37/76/564303776.db2.gz UUWPUGKKBHUGKT-INIZCTEOSA-N 0 1 375.881 3.371 20 0 GGADMN COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1Br ZINC000120099469 564304529 /nfs/dbraw/zinc/30/45/29/564304529.db2.gz CFFHZHXILHGOPC-PBHICJAKSA-N 0 1 393.325 3.433 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccnc2Br)N(C)C)c1 ZINC000120155826 564307198 /nfs/dbraw/zinc/30/71/98/564307198.db2.gz OIZBVNIPCRDVHK-OAHLLOKOSA-N 0 1 393.285 3.277 20 0 GGADMN Cn1cc(Br)cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000120193173 564308772 /nfs/dbraw/zinc/30/87/72/564308772.db2.gz ULPDFBFMTAOOHB-CQSZACIVSA-N 0 1 382.327 3.416 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)c1ccc(I)cc1 ZINC000021737128 564311702 /nfs/dbraw/zinc/31/17/02/564311702.db2.gz ZTSDDGIQEBKKNC-UHFFFAOYSA-N 0 1 385.230 3.262 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)c1ccc(I)cc1 ZINC000021737128 564311707 /nfs/dbraw/zinc/31/17/07/564311707.db2.gz ZTSDDGIQEBKKNC-UHFFFAOYSA-N 0 1 385.230 3.262 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)[C@H]2COc3ccc(Br)cc32)c1 ZINC000120327122 564315790 /nfs/dbraw/zinc/31/57/90/564315790.db2.gz PMBUIIVGILLCAE-AWEZNQCLSA-N 0 1 376.254 3.020 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000022312968 564316222 /nfs/dbraw/zinc/31/62/22/564316222.db2.gz BMBQSFKUPKGALG-JTQLQIEISA-N 0 1 381.889 3.088 20 0 GGADMN O=C(CCN1CCCN(CC(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000120342163 564316789 /nfs/dbraw/zinc/31/67/89/564316789.db2.gz RUCXFVBVAAWPHT-UHFFFAOYSA-N 0 1 381.801 3.378 20 0 GGADMN COCCCn1c(=O)[nH]nc1SCc1ccc(F)cc1Br ZINC000022480276 564316927 /nfs/dbraw/zinc/31/69/27/564316927.db2.gz NKPWFODFGHNWEU-UHFFFAOYSA-N 0 1 376.251 3.214 20 0 GGADMN C[N@@H+](CC(=O)N(Cc1csc(Br)c1)C1CC1)[C@H]1CCSC1 ZINC000120458326 564321232 /nfs/dbraw/zinc/32/12/32/564321232.db2.gz OZDZAWFBGXTYMA-ZDUSSCGKSA-N 0 1 389.384 3.439 20 0 GGADMN CN(CC(=O)N(Cc1csc(Br)c1)C1CC1)[C@H]1CCSC1 ZINC000120458326 564321237 /nfs/dbraw/zinc/32/12/37/564321237.db2.gz OZDZAWFBGXTYMA-ZDUSSCGKSA-N 0 1 389.384 3.439 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccsc1 ZINC000023132999 564322222 /nfs/dbraw/zinc/32/22/22/564322222.db2.gz JWKUMOFXFXEDNR-HNNXBMFYSA-N 0 1 375.519 3.215 20 0 GGADMN Cc1cccc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1Br ZINC000120561233 564325949 /nfs/dbraw/zinc/32/59/49/564325949.db2.gz UIYBZGFQVMTYFZ-CQSZACIVSA-N 0 1 396.329 3.475 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000120552633 564325995 /nfs/dbraw/zinc/32/59/95/564325995.db2.gz JZDGBXIEVCVDLB-SNVBAGLBSA-N 0 1 386.308 3.455 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1ccc(Br)cc1)c1cccs1 ZINC000024148802 564328734 /nfs/dbraw/zinc/32/87/34/564328734.db2.gz HOCBOYSCKOUEEY-CQSZACIVSA-N 0 1 383.311 3.309 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000024307705 564329335 /nfs/dbraw/zinc/32/93/35/564329335.db2.gz XGVRSSSCFMGXJJ-LLVKDONJSA-N 0 1 384.889 3.101 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000024255534 564329376 /nfs/dbraw/zinc/32/93/76/564329376.db2.gz SYQNSLRGMZNPMZ-QGZVFWFLSA-N 0 1 380.897 3.423 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)c2coc(Br)c2)CC1 ZINC000024451096 564330630 /nfs/dbraw/zinc/33/06/30/564330630.db2.gz DMJSVKAMHRHWBV-UHFFFAOYSA-N 0 1 378.270 3.436 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1Br ZINC000024425307 564330644 /nfs/dbraw/zinc/33/06/44/564330644.db2.gz LFILIEHDUIZCFI-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN c1csc(CCNc2nnc(SCCN3C[C@H]4CC[C@@H](C3)O4)s2)c1 ZINC000542933306 564332286 /nfs/dbraw/zinc/33/22/86/564332286.db2.gz JDLNOSMZWKSYSM-BETUJISGSA-N 0 1 382.580 3.210 20 0 GGADMN O=S(=O)(NCCN1CCCCCC1)c1ccc(Br)cc1Cl ZINC000024682707 564332405 /nfs/dbraw/zinc/33/24/05/564332405.db2.gz MAUNJFOGQHGFKF-UHFFFAOYSA-N 0 1 395.750 3.257 20 0 GGADMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C)s1)c1cccc(OC)c1 ZINC000024711474 564332568 /nfs/dbraw/zinc/33/25/68/564332568.db2.gz IGJKEALNYANCNQ-QGZVFWFLSA-N 0 1 382.551 3.427 20 0 GGADMN COCCOc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1OC ZINC000024955529 564334945 /nfs/dbraw/zinc/33/49/45/564334945.db2.gz AJXMOAVCKIPNGQ-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN Cc1cc(CN(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)no1 ZINC000025137562 564335457 /nfs/dbraw/zinc/33/54/57/564335457.db2.gz GWODERPXIJONRU-UHFFFAOYSA-N 0 1 375.226 3.408 20 0 GGADMN C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NCC(F)(F)F ZINC000025257056 564336739 /nfs/dbraw/zinc/33/67/39/564336739.db2.gz HAODPFOTLRYMRG-KWQFWETISA-N 0 1 395.834 3.243 20 0 GGADMN CN(CC(=O)NCc1ccc(Br)cc1Cl)[C@H]1CCSC1 ZINC000120803622 564338115 /nfs/dbraw/zinc/33/81/15/564338115.db2.gz GNSUEOMODCYWNN-LBPRGKRZSA-N 0 1 377.735 3.156 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000025408159 564338589 /nfs/dbraw/zinc/33/85/89/564338589.db2.gz JNJRSXKQSXSGIV-AWEZNQCLSA-N 0 1 396.329 3.077 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000025408155 564338652 /nfs/dbraw/zinc/33/86/52/564338652.db2.gz JNJRSXKQSXSGIV-CQSZACIVSA-N 0 1 396.329 3.077 20 0 GGADMN CC(C)(CNC(=O)c1cncc(Br)c1)N1CCc2ccccc2C1 ZINC000025461093 564338756 /nfs/dbraw/zinc/33/87/56/564338756.db2.gz XRDFQTOQWSGTJK-UHFFFAOYSA-N 0 1 388.309 3.411 20 0 GGADMN Cc1cccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1Br ZINC000120846941 564340328 /nfs/dbraw/zinc/34/03/28/564340328.db2.gz ATVJEMBNZCOIIG-MRXNPFEDSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)Nc1ccc(Br)cn1)C(C)C ZINC000120876046 564340719 /nfs/dbraw/zinc/34/07/19/564340719.db2.gz AFDSBLNJQPXMBW-MRXNPFEDSA-N 0 1 377.286 3.473 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)s2)cs1 ZINC000120921855 564343381 /nfs/dbraw/zinc/34/33/81/564343381.db2.gz UGYXPQINKNYQKI-DGCLKSJQSA-N 0 1 385.580 3.283 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000026490256 564346530 /nfs/dbraw/zinc/34/65/30/564346530.db2.gz JXHWOTHTZKPJFE-UHFFFAOYSA-N 0 1 376.873 3.206 20 0 GGADMN O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000026537907 564347481 /nfs/dbraw/zinc/34/74/81/564347481.db2.gz PBHSZNVAHYYITO-UHFFFAOYSA-N 0 1 379.243 3.297 20 0 GGADMN O=C(c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c[nH]1)N1CCCC1 ZINC000026527467 564347526 /nfs/dbraw/zinc/34/75/26/564347526.db2.gz BZMDXKIMFWPBTG-UHFFFAOYSA-N 0 1 388.276 3.358 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000026529730 564348040 /nfs/dbraw/zinc/34/80/40/564348040.db2.gz ZNGNDHKVLFAWLR-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN Cc1cc(S(=O)(=O)NCC(C)(C)N2CCCCC2)ccc1Br ZINC000026885475 564351477 /nfs/dbraw/zinc/35/14/77/564351477.db2.gz MANFDODSNSVMOD-UHFFFAOYSA-N 0 1 389.359 3.300 20 0 GGADMN CC(C)(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000026885462 564351929 /nfs/dbraw/zinc/35/19/29/564351929.db2.gz RFFWNLWKTSZKHH-UHFFFAOYSA-N 0 1 380.432 3.128 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(Br)c[nH]2)N2CCCC2)c1 ZINC000027341924 564354018 /nfs/dbraw/zinc/35/40/18/564354018.db2.gz CVXNKUHHRFEYHY-QGZVFWFLSA-N 0 1 392.297 3.353 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cccs1 ZINC000027678768 564355831 /nfs/dbraw/zinc/35/58/31/564355831.db2.gz IZAVSQVNGKENME-AWEZNQCLSA-N 0 1 380.897 3.134 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000121156478 564356440 /nfs/dbraw/zinc/35/64/40/564356440.db2.gz BXOUNSCUEQHGDP-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccccc2-n2cncn2)ccc1Br ZINC000028020511 564358519 /nfs/dbraw/zinc/35/85/19/564358519.db2.gz SRYQCWRIMYNUHT-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121197873 564359162 /nfs/dbraw/zinc/35/91/62/564359162.db2.gz UKJGYHZVMKMTFD-CYBMUJFWSA-N 0 1 385.580 3.285 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c(Br)c1 ZINC000028244469 564361585 /nfs/dbraw/zinc/36/15/85/564361585.db2.gz DVAWBHOFXYIWMN-UHFFFAOYSA-N 0 1 384.255 3.049 20 0 GGADMN CSc1nsc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000121293079 564362855 /nfs/dbraw/zinc/36/28/55/564362855.db2.gz NHRLVBDJLYORJG-LLVKDONJSA-N 0 1 378.527 3.002 20 0 GGADMN C[C@H](CNC(=O)CCCCc1ccc(Cl)c(Cl)c1)N1CCN(C)CC1 ZINC000121319749 564363528 /nfs/dbraw/zinc/36/35/28/564363528.db2.gz APIKSSPOGNOQMU-OAHLLOKOSA-N 0 1 386.367 3.458 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000028577645 564363591 /nfs/dbraw/zinc/36/35/91/564363591.db2.gz ZKMHEDSGPXDZNI-UHFFFAOYSA-N 0 1 384.251 3.461 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1cccs1 ZINC000028834751 564364302 /nfs/dbraw/zinc/36/43/02/564364302.db2.gz WKGDZXVEAJYDMM-HNNXBMFYSA-N 0 1 375.885 3.015 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000028813324 564364696 /nfs/dbraw/zinc/36/46/96/564364696.db2.gz PSANKKQVAUPEGK-NSHDSACASA-N 0 1 383.853 3.245 20 0 GGADMN COc1ccc2nc(NC(=O)CSc3nc(C(C)(C)C)n[nH]3)sc2c1 ZINC000028788258 564365001 /nfs/dbraw/zinc/36/50/01/564365001.db2.gz KZWDVTHQBLANII-UHFFFAOYSA-N 0 1 377.495 3.451 20 0 GGADMN COc1cc(Br)ccc1CCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121335863 564365063 /nfs/dbraw/zinc/36/50/63/564365063.db2.gz WQWZKAPIAIHFFI-UHFFFAOYSA-N 0 1 395.341 3.335 20 0 GGADMN COC(=O)c1sccc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000029048934 564365708 /nfs/dbraw/zinc/36/57/08/564365708.db2.gz LOWUHGWJWVBXCW-UHFFFAOYSA-N 0 1 377.447 3.150 20 0 GGADMN O=C(CCN1CCCN(C(=O)C2CC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000121361777 564365962 /nfs/dbraw/zinc/36/59/62/564365962.db2.gz HMXUWYBQOHGISV-UHFFFAOYSA-N 0 1 384.307 3.266 20 0 GGADMN O=C(c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c[nH]1)N1CCCC1 ZINC000029435162 564370313 /nfs/dbraw/zinc/37/03/13/564370313.db2.gz MDWBAVPXXGSJFH-UHFFFAOYSA-N 0 1 388.276 3.358 20 0 GGADMN O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000029838917 564374974 /nfs/dbraw/zinc/37/49/74/564374974.db2.gz VEKHIMDIMDUCOA-UHFFFAOYSA-N 0 1 389.293 3.333 20 0 GGADMN O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(Br)ccc1[O-] ZINC000029838917 564374976 /nfs/dbraw/zinc/37/49/76/564374976.db2.gz VEKHIMDIMDUCOA-UHFFFAOYSA-N 0 1 389.293 3.333 20 0 GGADMN Cc1cc(NC(=O)CN2CCCC[C@@H]2c2nnc[nH]2)ccc1Br ZINC000121659502 564380877 /nfs/dbraw/zinc/38/08/77/564380877.db2.gz LJARAFGQICPORX-CQSZACIVSA-N 0 1 378.274 3.041 20 0 GGADMN O=C(NN1CCCCC1=O)c1csc(-c2cc(Br)cs2)n1 ZINC000121728563 564383574 /nfs/dbraw/zinc/38/35/74/564383574.db2.gz JRYMZJKSEBIMHO-UHFFFAOYSA-N 0 1 386.296 3.291 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000121744780 564384300 /nfs/dbraw/zinc/38/43/00/564384300.db2.gz MQABIKLAPPZBBR-CQSZACIVSA-N 0 1 391.313 3.015 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000121752658 564384430 /nfs/dbraw/zinc/38/44/30/564384430.db2.gz NKVGZOPWHTZLSX-GJZGRUSLSA-N 0 1 383.330 3.295 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000121752509 564384838 /nfs/dbraw/zinc/38/48/38/564384838.db2.gz NKVGZOPWHTZLSX-HUUCEWRRSA-N 0 1 383.330 3.295 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCN1CCOC ZINC000121807661 564387369 /nfs/dbraw/zinc/38/73/69/564387369.db2.gz CRADAMWIBYIVTC-HNNXBMFYSA-N 0 1 388.339 3.365 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CCN1CCOC ZINC000121808629 564387807 /nfs/dbraw/zinc/38/78/07/564387807.db2.gz XJRYIGBMEXVSBM-HNNXBMFYSA-N 0 1 388.339 3.365 20 0 GGADMN O=C(COc1ccc(Br)cc1)NCCN1CCc2ccccc2C1 ZINC000031338127 564388746 /nfs/dbraw/zinc/38/87/46/564388746.db2.gz SCMYRSSEQCMDAQ-UHFFFAOYSA-N 0 1 389.293 3.002 20 0 GGADMN CC[C@H](NC(=O)CSc1nc2n[nH]cc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000031610813 564389747 /nfs/dbraw/zinc/38/97/47/564389747.db2.gz FKCIZHUKPJNDNO-LBPRGKRZSA-N 0 1 377.857 3.072 20 0 GGADMN O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccccc1Br ZINC000031722499 564392051 /nfs/dbraw/zinc/39/20/51/564392051.db2.gz JIRLVPNGVSECMZ-UHFFFAOYSA-N 0 1 392.278 3.495 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)cc1Br ZINC000031932021 564394503 /nfs/dbraw/zinc/39/45/03/564394503.db2.gz MSAOSSIUORYNFA-SECBINFHSA-N 0 1 375.226 3.220 20 0 GGADMN NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000032096987 564396779 /nfs/dbraw/zinc/39/67/79/564396779.db2.gz WKERYAKIFCBYQZ-UHFFFAOYSA-N 0 1 392.786 3.187 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1F ZINC000032401845 564398723 /nfs/dbraw/zinc/39/87/23/564398723.db2.gz CGBWKTAYPXNHKZ-UHFFFAOYSA-N 0 1 382.888 3.422 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCCN1CCc2ccccc2C1 ZINC000032433779 564399694 /nfs/dbraw/zinc/39/96/94/564399694.db2.gz CBFGZYNAOOVBSS-UHFFFAOYSA-N 0 1 378.925 3.375 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCC1(N2CCSCC2)CCCC1 ZINC000032436243 564400564 /nfs/dbraw/zinc/40/05/64/564400564.db2.gz KICTZQHBXLBKNZ-UHFFFAOYSA-N 0 1 388.986 3.288 20 0 GGADMN Cc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1Cl ZINC000032436238 564400849 /nfs/dbraw/zinc/40/08/49/564400849.db2.gz KTQRSDCMISIUOB-UHFFFAOYSA-N 0 1 388.986 3.288 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)cc1Cl ZINC000032591639 564402503 /nfs/dbraw/zinc/40/25/03/564402503.db2.gz GIWGCWJLZMIQSM-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN O=S(=O)(NCCNCc1cnc(-c2ccsc2)s1)c1cccs1 ZINC000122192829 564404537 /nfs/dbraw/zinc/40/45/37/564404537.db2.gz ATJZMEQDHIWJQO-UHFFFAOYSA-N 0 1 385.561 3.001 20 0 GGADMN COc1ccc(CN[C@H](C)CS(=O)(=O)c2ccccc2)cc1Br ZINC000122296601 564407692 /nfs/dbraw/zinc/40/76/92/564407692.db2.gz UXKORCIRLCIZPV-CYBMUJFWSA-N 0 1 398.322 3.410 20 0 GGADMN CC(C)CN1CCO[C@@H](CNc2ncnc3cc(F)c(Br)cc32)C1 ZINC000545158080 564410372 /nfs/dbraw/zinc/41/03/72/564410372.db2.gz QINSSLNTVNRRNS-LBPRGKRZSA-N 0 1 397.292 3.300 20 0 GGADMN O=C(Cc1cc(Cl)ccc1Br)Nc1nc(-c2ccccn2)n[nH]1 ZINC000122381281 564412215 /nfs/dbraw/zinc/41/22/15/564412215.db2.gz UWNLFRWQRKYHSS-UHFFFAOYSA-N 0 1 392.644 3.464 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1C[C@@H]2CCC[C@H]2C1 ZINC000122487605 564416562 /nfs/dbraw/zinc/41/65/62/564416562.db2.gz JEKDDLHJARPPKH-STQMWFEESA-N 0 1 390.285 3.176 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000122487605 564416566 /nfs/dbraw/zinc/41/65/66/564416566.db2.gz JEKDDLHJARPPKH-STQMWFEESA-N 0 1 390.285 3.176 20 0 GGADMN CN(C[C@@H]1CCCCO1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000122523551 564417608 /nfs/dbraw/zinc/41/76/08/564417608.db2.gz KPYZTWUUAQORGV-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCCNc1ncc(Cl)cc1Cl ZINC000122540661 564418345 /nfs/dbraw/zinc/41/83/45/564418345.db2.gz HEBXUUYIJNSCMI-LBPRGKRZSA-N 0 1 388.320 3.252 20 0 GGADMN O=S(=O)(NCC(F)(F)F)c1cc(Br)ccc1Br ZINC000037386147 564421127 /nfs/dbraw/zinc/42/11/27/564421127.db2.gz QUCNHRUDWNLMHP-UHFFFAOYSA-N 0 1 397.010 3.052 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)cc1Br ZINC000122667677 564423090 /nfs/dbraw/zinc/42/30/90/564423090.db2.gz KCFLQVILYZTXMB-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000039968109 564425434 /nfs/dbraw/zinc/42/54/34/564425434.db2.gz APPVJXNVUMAETI-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(C(C)C)CC1 ZINC000122739249 564425642 /nfs/dbraw/zinc/42/56/42/564425642.db2.gz MUSJUASFFOXQLQ-UHFFFAOYSA-N 0 1 387.265 3.158 20 0 GGADMN COc1c(Br)cc(CNCc2cnn(C)c2)cc1Br ZINC000041159287 564430159 /nfs/dbraw/zinc/43/01/59/564430159.db2.gz AUVHSQXJXSSVTN-UHFFFAOYSA-N 0 1 389.091 3.244 20 0 GGADMN C[C@@H](c1ccccc1Br)N(C)CCCN1C(=O)NC(C)(C)C1=O ZINC000122888414 564431631 /nfs/dbraw/zinc/43/16/31/564431631.db2.gz WKRKXJQIAJIWEA-LBPRGKRZSA-N 0 1 382.302 3.162 20 0 GGADMN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1O ZINC000122904237 564431683 /nfs/dbraw/zinc/43/16/83/564431683.db2.gz BHDAUNLWHYHUHX-UHFFFAOYSA-N 0 1 380.853 3.385 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000122980030 564434524 /nfs/dbraw/zinc/43/45/24/564434524.db2.gz CTWGROHSDJQSDB-QGZVFWFLSA-N 0 1 396.373 3.068 20 0 GGADMN CC[C@@H](C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)N(C)C ZINC000123002850 564435460 /nfs/dbraw/zinc/43/54/60/564435460.db2.gz UJYRFOLDTPNNSU-AWEZNQCLSA-N 0 1 379.258 3.310 20 0 GGADMN O=C(Nc1cc2ccc(Br)cn2n1)c1cn[nH]c1-c1ccncc1 ZINC000513734172 564436905 /nfs/dbraw/zinc/43/69/05/564436905.db2.gz VQMLBLDJUCKCCD-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)c1cccs1 ZINC000123089705 564437988 /nfs/dbraw/zinc/43/79/88/564437988.db2.gz BLRVVSPNESRFEU-KGLIPLIRSA-N 0 1 395.322 3.406 20 0 GGADMN O=S1(=O)CC[C@@H](NCc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000041886908 564439292 /nfs/dbraw/zinc/43/92/92/564439292.db2.gz XRFQFZOCQLIGMX-CYBMUJFWSA-N 0 1 386.336 3.454 20 0 GGADMN O=C(NCc1cc(Br)ccc1F)c1c[nH]c2ccccc2c1=O ZINC000042042773 564441171 /nfs/dbraw/zinc/44/11/71/564441171.db2.gz UMVWCODGVPTUSN-UHFFFAOYSA-N 0 1 375.197 3.360 20 0 GGADMN CC(C)[C@@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000042580367 564448230 /nfs/dbraw/zinc/44/82/30/564448230.db2.gz PUWQHBNBOJXQFO-MAUKXSAKSA-N 0 1 383.989 3.209 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2ccc(Br)cc2)N(C)C)c1 ZINC000042674268 564448659 /nfs/dbraw/zinc/44/86/59/564448659.db2.gz MWHKXUQUGBMUEG-SFHVURJKSA-N 0 1 391.309 3.419 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N(C)C)c1 ZINC000042674269 564449127 /nfs/dbraw/zinc/44/91/27/564449127.db2.gz MWHKXUQUGBMUEG-GOSISDBHSA-N 0 1 391.309 3.419 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000123477522 564449641 /nfs/dbraw/zinc/44/96/41/564449641.db2.gz KFQTUZSMVUGVHJ-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN Cc1sc2ncnc(SCC(=O)N3CCN(CC(C)C)CC3)c2c1C ZINC000043008641 564452979 /nfs/dbraw/zinc/45/29/79/564452979.db2.gz GSJVMVCSUGXXRK-UHFFFAOYSA-N 0 1 378.567 3.200 20 0 GGADMN COC[C@](C)(CC(=O)OC)NCc1cc(Br)ccc1OC(F)F ZINC000123591106 564454911 /nfs/dbraw/zinc/45/49/11/564454911.db2.gz XMFLEPIHGWUKIV-HNNXBMFYSA-N 0 1 396.228 3.108 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000043259878 564456649 /nfs/dbraw/zinc/45/66/49/564456649.db2.gz PVNSUEXLEGSJND-RYUDHWBXSA-N 0 1 388.281 3.209 20 0 GGADMN O=C(Nc1cccc(I)c1)N1CCN(C2CCCC2)CC1 ZINC000043317222 564456903 /nfs/dbraw/zinc/45/69/03/564456903.db2.gz LDYLGAWKNMUZQT-UHFFFAOYSA-N 0 1 399.276 3.383 20 0 GGADMN Cc1ccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000043328364 564457004 /nfs/dbraw/zinc/45/70/04/564457004.db2.gz FFECXHVVQDVZDL-ZIAGYGMSSA-N 0 1 384.318 3.378 20 0 GGADMN CCCc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)n[nH]1 ZINC000044068842 564464260 /nfs/dbraw/zinc/46/42/60/564464260.db2.gz LIAHTAKEUQPORM-UHFFFAOYSA-N 0 1 397.342 3.144 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c1 ZINC000123911785 564465622 /nfs/dbraw/zinc/46/56/22/564465622.db2.gz HQQGVBXPQCGOSV-UHFFFAOYSA-N 0 1 384.255 3.049 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000044314830 564467168 /nfs/dbraw/zinc/46/71/68/564467168.db2.gz KEDGAOMYKIPLCA-UHFFFAOYSA-N 0 1 391.313 3.049 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 ZINC000123968124 564467494 /nfs/dbraw/zinc/46/74/94/564467494.db2.gz QALWPNFOABKBOM-UHFFFAOYSA-N 0 1 395.278 3.443 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccccc2-n2ccnn2)c1 ZINC000124057896 564470663 /nfs/dbraw/zinc/47/06/63/564470663.db2.gz NUHDQSJNISXJKA-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN Cc1cc(N2CCC[C@H](N[C@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000124113094 564472067 /nfs/dbraw/zinc/47/20/67/564472067.db2.gz GCRXDWLWYLIOBP-DYVFJYSZSA-N 0 1 391.313 3.337 20 0 GGADMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000124112617 564472289 /nfs/dbraw/zinc/47/22/89/564472289.db2.gz GCRXDWLWYLIOBP-GUYCJALGSA-N 0 1 391.313 3.337 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000044820417 564473097 /nfs/dbraw/zinc/47/30/97/564473097.db2.gz KODWNMWSPIOFGF-UHFFFAOYSA-N 0 1 393.285 3.315 20 0 GGADMN O=S1(=O)CC[C@@H](NCc2ccc(-c3ccccc3Br)s2)C1 ZINC000044861788 564474259 /nfs/dbraw/zinc/47/42/59/564474259.db2.gz RULYIRFGQSUUCT-LLVKDONJSA-N 0 1 386.336 3.454 20 0 GGADMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124280783 564476706 /nfs/dbraw/zinc/47/67/06/564476706.db2.gz WEJMEWBESQQFLW-ZDUSSCGKSA-N 0 1 386.256 3.300 20 0 GGADMN COc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1Br ZINC000045085016 564477997 /nfs/dbraw/zinc/47/79/97/564477997.db2.gz MSVUKRVTASVUFT-UHFFFAOYSA-N 0 1 397.313 3.167 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cc3c(cccc3Br)[nH]2)C[C@H](C)O1 ZINC000124342114 564478715 /nfs/dbraw/zinc/47/87/15/564478715.db2.gz LDFBZIUSIDWXFV-STQMWFEESA-N 0 1 394.313 3.160 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2cccc(Br)c2)N(C)C)c1 ZINC000124337157 564478936 /nfs/dbraw/zinc/47/89/36/564478936.db2.gz QRKOKSLGPVGNDX-SFHVURJKSA-N 0 1 391.309 3.419 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3oc(=O)n(C)c3c2)c1 ZINC000124361604 564479447 /nfs/dbraw/zinc/47/94/47/564479447.db2.gz NRGAKMFHMYMEMT-UHFFFAOYSA-N 0 1 397.250 3.003 20 0 GGADMN CSc1ncc(Cl)c(C(=O)NC[C@H](C)N2CCc3ccccc3C2)n1 ZINC000045465214 564483873 /nfs/dbraw/zinc/48/38/73/564483873.db2.gz FUCGKNHVFMYPNP-LBPRGKRZSA-N 0 1 376.913 3.029 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000045455711 564484022 /nfs/dbraw/zinc/48/40/22/564484022.db2.gz ZXSTUJSFTXYPQP-GJZGRUSLSA-N 0 1 398.345 3.090 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000124533492 564485048 /nfs/dbraw/zinc/48/50/48/564485048.db2.gz DZHFEXPMYJPFEH-HXUWFJFHSA-N 0 1 388.308 3.296 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000480734607 564485136 /nfs/dbraw/zinc/48/51/36/564485136.db2.gz ORTZAWNUSIAUSI-QMMMGPOBSA-N 0 1 380.239 3.488 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000124589760 564486335 /nfs/dbraw/zinc/48/63/35/564486335.db2.gz MVPJQXVNTYAIEA-UHFFFAOYSA-N 0 1 380.886 3.173 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N(C)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000045633877 564487168 /nfs/dbraw/zinc/48/71/68/564487168.db2.gz XXGYMVSTPXKOLH-GJZGRUSLSA-N 0 1 398.345 3.090 20 0 GGADMN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000124593150 564487614 /nfs/dbraw/zinc/48/76/14/564487614.db2.gz QQJIJESZUQDPBA-OAHLLOKOSA-N 0 1 384.263 3.018 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(OC)c1 ZINC000045774435 564488876 /nfs/dbraw/zinc/48/88/76/564488876.db2.gz XQTJZLZCQAMKIX-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN O=C(CSCc1cccc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046048455 564493219 /nfs/dbraw/zinc/49/32/19/564493219.db2.gz ZIMJOBPUSNOQHR-SFHVURJKSA-N 0 1 382.957 3.287 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccsc1)N1CCN(Cc2cccs2)CC1 ZINC000046088975 564494805 /nfs/dbraw/zinc/49/48/05/564494805.db2.gz GPJHWVJMTANMQX-GOSISDBHSA-N 0 1 375.563 3.291 20 0 GGADMN C[C@H](NCc1cc(Br)ccc1F)c1ccc(-n2cnnn2)cc1 ZINC000125098982 564502875 /nfs/dbraw/zinc/50/28/75/564502875.db2.gz AORDXSKOKAGTCW-NSHDSACASA-N 0 1 376.233 3.415 20 0 GGADMN Nc1cc(N)nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000046560615 564503742 /nfs/dbraw/zinc/50/37/42/564503742.db2.gz UYWROTCTBYJVDB-UHFFFAOYSA-N 0 1 377.779 3.044 20 0 GGADMN Cc1c([C@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cnn1C ZINC000047007156 564510862 /nfs/dbraw/zinc/51/08/62/564510862.db2.gz WXEUPWSEQMSPQE-ZETCQYMHSA-N 0 1 376.770 3.183 20 0 GGADMN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CCN(CC2CC2)CC1 ZINC000481560560 564515711 /nfs/dbraw/zinc/51/57/11/564515711.db2.gz IDQXKFXRSQCMAR-UHFFFAOYSA-N 0 1 377.901 3.418 20 0 GGADMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000047261990 564516225 /nfs/dbraw/zinc/51/62/25/564516225.db2.gz DXLGJGVZTJJUSQ-AWEZNQCLSA-N 0 1 375.270 3.090 20 0 GGADMN O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cccnc2)CC1 ZINC000047262023 564516294 /nfs/dbraw/zinc/51/62/94/564516294.db2.gz OHHUIARAOGIGQD-UHFFFAOYSA-N 0 1 375.270 3.090 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2cc3ccccc3[nH]2)sc1Br ZINC000125550242 564518392 /nfs/dbraw/zinc/51/83/92/564518392.db2.gz FALDDUABUWKYDY-UHFFFAOYSA-N 0 1 386.296 3.174 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccnc1Br ZINC000125602447 564519376 /nfs/dbraw/zinc/51/93/76/564519376.db2.gz VKEZSVSFSDVQHU-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2CNc2ncncc2Br)C[C@H](C)O1 ZINC000481697923 564520082 /nfs/dbraw/zinc/52/00/82/564520082.db2.gz RHLHBDKXSRFHFH-OKILXGFUSA-N 0 1 391.313 3.460 20 0 GGADMN C[C@H]1CN(CCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000047434603 564520911 /nfs/dbraw/zinc/52/09/11/564520911.db2.gz ISMCTTZGXRSJBZ-GJZGRUSLSA-N 0 1 395.341 3.096 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000047434821 564521113 /nfs/dbraw/zinc/52/11/13/564521113.db2.gz AEFFGPFVIXFQKY-BETUJISGSA-N 0 1 394.313 3.160 20 0 GGADMN CCc1c(NC(=O)C[C@H]2COC(=O)C2)[nH]nc1-c1ccc(Br)cc1 ZINC000125655450 564521769 /nfs/dbraw/zinc/52/17/69/564521769.db2.gz IXPVTXASUOKEHF-SNVBAGLBSA-N 0 1 392.253 3.293 20 0 GGADMN CCc1nc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n[nH]1 ZINC000125799760 564526727 /nfs/dbraw/zinc/52/67/27/564526727.db2.gz KJZDIRWINCFWFA-UHFFFAOYSA-N 0 1 389.257 3.184 20 0 GGADMN CCc1n[nH]c(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n1 ZINC000125799760 564526730 /nfs/dbraw/zinc/52/67/30/564526730.db2.gz KJZDIRWINCFWFA-UHFFFAOYSA-N 0 1 389.257 3.184 20 0 GGADMN CC(=O)NCC1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000047772317 564527125 /nfs/dbraw/zinc/52/71/25/564527125.db2.gz XRLDQVPGAGKQCV-LBPRGKRZSA-N 0 1 386.323 3.019 20 0 GGADMN CN(CCc1cccc(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125844920 564529170 /nfs/dbraw/zinc/52/91/70/564529170.db2.gz FYPCBVNOTWGWCT-HOTGVXAUSA-N 0 1 379.444 3.415 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1S(C)(=O)=O ZINC000125885577 564529951 /nfs/dbraw/zinc/52/99/51/564529951.db2.gz PDBASBPFWIEMFR-UHFFFAOYSA-N 0 1 393.408 3.218 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000481971020 564529972 /nfs/dbraw/zinc/52/99/72/564529972.db2.gz RTLDNLBELGROLC-UHFFFAOYSA-N 0 1 393.270 3.321 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc3ccccc32)ccc1S(C)(=O)=O ZINC000125937219 564530969 /nfs/dbraw/zinc/53/09/69/564530969.db2.gz XQMFDWGOTCOUIT-UHFFFAOYSA-N 0 1 375.471 3.353 20 0 GGADMN O[C@H](COC1CCOCC1)CN1CCC[C@H]1c1ccccc1Br ZINC000125945210 564532351 /nfs/dbraw/zinc/53/23/51/564532351.db2.gz IKTIXOCXJCHSDZ-KSSFIOAISA-N 0 1 384.314 3.143 20 0 GGADMN CC1(C)NC(=O)N(CCCN2CCC[C@@H]2c2ccccc2Br)C1=O ZINC000126016613 564534074 /nfs/dbraw/zinc/53/40/74/564534074.db2.gz KNHOZWSIRSAFNF-OAHLLOKOSA-N 0 1 394.313 3.307 20 0 GGADMN O=C(CSc1nncs1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000048342193 564536327 /nfs/dbraw/zinc/53/63/27/564536327.db2.gz INOLJJIIDFJSIH-UHFFFAOYSA-N 0 1 382.942 3.064 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1cccc(F)c1 ZINC000048365748 564537191 /nfs/dbraw/zinc/53/71/91/564537191.db2.gz NJULBHVKHNCTJO-ZDUSSCGKSA-N 0 1 395.276 3.221 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cncc(Br)c2)N(C)C)c1 ZINC000126131395 564537839 /nfs/dbraw/zinc/53/78/39/564537839.db2.gz KEUVXLSDLBQWCW-INIZCTEOSA-N 0 1 393.285 3.277 20 0 GGADMN CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000048430494 564539637 /nfs/dbraw/zinc/53/96/37/564539637.db2.gz OBSDPXOJNPIMDZ-GFCCVEGCSA-N 0 1 378.270 3.338 20 0 GGADMN CCN(CC(=O)Nc1ccc(I)cc1Cl)C1CC1 ZINC000126197556 564539642 /nfs/dbraw/zinc/53/96/42/564539642.db2.gz LSKYTKJVOWPBHN-UHFFFAOYSA-N 0 1 378.641 3.367 20 0 GGADMN CCc1nc(NS(=O)(=O)c2ccc(OC)c(Br)c2)sc1C ZINC000048445626 564540092 /nfs/dbraw/zinc/54/00/92/564540092.db2.gz ZGGXLGGHAHLJJE-UHFFFAOYSA-N 0 1 391.312 3.008 20 0 GGADMN COc1c(Br)cc(Br)cc1CNCCn1cccn1 ZINC000048449678 564540345 /nfs/dbraw/zinc/54/03/45/564540345.db2.gz PQSPSIOXLVBJQQ-UHFFFAOYSA-N 0 1 389.091 3.207 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000126224819 564540580 /nfs/dbraw/zinc/54/05/80/564540580.db2.gz PZEOQFOKLNSKFJ-SNVBAGLBSA-N 0 1 377.367 3.120 20 0 GGADMN O=C(CCc1ccc(Cl)cc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000048481593 564541340 /nfs/dbraw/zinc/54/13/40/564541340.db2.gz REROYGZGNSWPAY-UHFFFAOYSA-N 0 1 385.335 3.497 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(F)cc2Br)C1 ZINC000048452475 564541438 /nfs/dbraw/zinc/54/14/38/564541438.db2.gz SBNDONWOAIXFEC-ZDUSSCGKSA-N 0 1 388.281 3.067 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000048742180 564544468 /nfs/dbraw/zinc/54/44/68/564544468.db2.gz YDBZHYFHQXAZBT-CYBMUJFWSA-N 0 1 386.304 3.413 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1cccs1 ZINC000048742270 564545275 /nfs/dbraw/zinc/54/52/75/564545275.db2.gz RAAHZSCDFPCOMN-ZDUSSCGKSA-N 0 1 386.304 3.413 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000048742280 564545304 /nfs/dbraw/zinc/54/53/04/564545304.db2.gz MZLKJDJIFUDEOT-ZDUSSCGKSA-N 0 1 386.304 3.413 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCNC[C@@H]1C ZINC000126438205 564549238 /nfs/dbraw/zinc/54/92/38/564549238.db2.gz BQIWJSNGLHIUPK-LBPRGKRZSA-N 0 1 377.897 3.396 20 0 GGADMN Cc1cc(CC(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)[nH]n1 ZINC000126439985 564549440 /nfs/dbraw/zinc/54/94/40/564549440.db2.gz CIZARIWLCBXPPS-UHFFFAOYSA-N 0 1 382.291 3.432 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126594095 564554065 /nfs/dbraw/zinc/55/40/65/564554065.db2.gz XZVFRTSXNRAFDX-OLZOCXBDSA-N 0 1 384.237 3.371 20 0 GGADMN COC(=O)c1c[nH]c(=NC(=O)c2cnc(-c3ccccc3Cl)s2)s1 ZINC000050295635 564557338 /nfs/dbraw/zinc/55/73/38/564557338.db2.gz ZDZYELRDUJMWQY-UHFFFAOYSA-N 0 1 379.850 3.381 20 0 GGADMN CC1CCN([C@@H](CNC(=O)CSc2nncs2)c2cccs2)CC1 ZINC000126757380 564560941 /nfs/dbraw/zinc/56/09/41/564560941.db2.gz HBKDMKSKWZGTHV-ZDUSSCGKSA-N 0 1 382.580 3.281 20 0 GGADMN CCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000051042806 564561181 /nfs/dbraw/zinc/56/11/81/564561181.db2.gz AQTYUIIKSDQRFK-KBPBESRZSA-N 0 1 396.329 3.014 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000051353249 564563823 /nfs/dbraw/zinc/56/38/23/564563823.db2.gz KHHUVVFXWCGLTD-VXGBXAGGSA-N 0 1 389.721 3.332 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cn[nH]c1C ZINC000051383318 564564256 /nfs/dbraw/zinc/56/42/56/564564256.db2.gz HVAQFUSOEXYQDY-UHFFFAOYSA-N 0 1 388.269 3.213 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)s1 ZINC000126936993 564568636 /nfs/dbraw/zinc/56/86/36/564568636.db2.gz OBADKZZWQCKJOO-BPUTZDHNSA-N 0 1 378.925 3.257 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052165503 564568828 /nfs/dbraw/zinc/56/88/28/564568828.db2.gz DEXUHCPVQPFDDP-UHFFFAOYSA-N 0 1 375.822 3.325 20 0 GGADMN Brc1ccccc1-c1nnc(CN2CCN(CC3CC3)CC2)o1 ZINC000052164617 564569202 /nfs/dbraw/zinc/56/92/02/564569202.db2.gz JOQXGUMDTIUTFL-UHFFFAOYSA-N 0 1 377.286 3.027 20 0 GGADMN O=S(=O)(c1ccc(NCC2(N3CCSCC3)CCCC2)cc1)C(F)F ZINC000052042688 564569452 /nfs/dbraw/zinc/56/94/52/564569452.db2.gz ROSAXLMJYLJHKQ-UHFFFAOYSA-N 0 1 390.521 3.456 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000127132465 564573944 /nfs/dbraw/zinc/57/39/44/564573944.db2.gz BFKDKRPWZFNQMK-CABCVRRESA-N 0 1 379.287 3.359 20 0 GGADMN COc1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1Br ZINC000127173807 564576082 /nfs/dbraw/zinc/57/60/82/564576082.db2.gz RCPQZWHAHSALDZ-HNNXBMFYSA-N 0 1 381.314 3.196 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)n[nH]1 ZINC000483879417 564576433 /nfs/dbraw/zinc/57/64/33/564576433.db2.gz ZYDOFYLRNXRRTN-LURJTMIESA-N 0 1 381.824 3.307 20 0 GGADMN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)c1ncccc1O ZINC000127216562 564576831 /nfs/dbraw/zinc/57/68/31/564576831.db2.gz OBRPMGPTNUZJJE-UHFFFAOYSA-N 0 1 392.131 3.138 20 0 GGADMN CCC[C@H](CNC(=O)CN[C@](C)(CC)C(N)=O)c1ccc(Cl)cc1Cl ZINC000127196508 564577079 /nfs/dbraw/zinc/57/70/79/564577079.db2.gz QWDDOZKNTFAANW-KZULUSFZSA-N 0 1 388.339 3.237 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@H](O)COc3cc(Cl)ccc3Cl)C2)n1 ZINC000052863748 564578406 /nfs/dbraw/zinc/57/84/06/564578406.db2.gz GWKTUDRVGJIEAF-JSGCOSHPSA-N 0 1 386.279 3.304 20 0 GGADMN COC(=O)c1ccncc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000127357778 564581104 /nfs/dbraw/zinc/58/11/04/564581104.db2.gz NYVGIXKRGOWNKP-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(Cl)cc2cccnc21 ZINC000053219605 564582966 /nfs/dbraw/zinc/58/29/66/564582966.db2.gz UGJMYGXRYAIQBB-KRWDZBQOSA-N 0 1 381.929 3.182 20 0 GGADMN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(Br)cc1F ZINC000127442781 564584501 /nfs/dbraw/zinc/58/45/01/564584501.db2.gz TYVSXFNNCVAQNP-LLVKDONJSA-N 0 1 381.245 3.303 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CSc1nnc(NCc2ccco2)s1 ZINC000519681707 564585948 /nfs/dbraw/zinc/58/59/48/564585948.db2.gz FAPDDOHOABFEQO-UHFFFAOYSA-N 0 1 379.467 3.244 20 0 GGADMN Nc1cc(N)nc(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000053450944 564588839 /nfs/dbraw/zinc/58/88/39/564588839.db2.gz KMYDNTKEBCTZCT-LBPRGKRZSA-N 0 1 398.319 3.404 20 0 GGADMN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000053569806 564590190 /nfs/dbraw/zinc/59/01/90/564590190.db2.gz FETUQJSVPVSMLK-HNNXBMFYSA-N 0 1 382.957 3.391 20 0 GGADMN O=C(c1ccc(Br)cc1O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127651974 564590814 /nfs/dbraw/zinc/59/08/14/564590814.db2.gz HFGBXHDCUKCSAH-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127651974 564590815 /nfs/dbraw/zinc/59/08/15/564590815.db2.gz HFGBXHDCUKCSAH-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127651974 564590818 /nfs/dbraw/zinc/59/08/18/564590818.db2.gz HFGBXHDCUKCSAH-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN Cc1noc(C2CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)n1 ZINC000053618358 564591852 /nfs/dbraw/zinc/59/18/52/564591852.db2.gz LVDZZRYVKUEIST-CQSZACIVSA-N 0 1 386.279 3.304 20 0 GGADMN Cc1noc(C2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)n1 ZINC000053618366 564592327 /nfs/dbraw/zinc/59/23/27/564592327.db2.gz GXIHTBKADNKSJL-AWEZNQCLSA-N 0 1 386.279 3.304 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[nH]1 ZINC000053673860 564592964 /nfs/dbraw/zinc/59/29/64/564592964.db2.gz CBKBEXNWGHWURP-UHFFFAOYSA-N 0 1 397.291 3.396 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)n1 ZINC000053673860 564592967 /nfs/dbraw/zinc/59/29/67/564592967.db2.gz CBKBEXNWGHWURP-UHFFFAOYSA-N 0 1 397.291 3.396 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)nc2)CC1 ZINC000053744279 564593818 /nfs/dbraw/zinc/59/38/18/564593818.db2.gz NRXSGAPIALHFIK-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CC1CCN([C@@H](CNC(=O)c2cc(C(N)=O)cs2)c2cccs2)CC1 ZINC000053758135 564594958 /nfs/dbraw/zinc/59/49/58/564594958.db2.gz KWFUYIZULPYHKD-AWEZNQCLSA-N 0 1 377.535 3.112 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000053980868 564596750 /nfs/dbraw/zinc/59/67/50/564596750.db2.gz KIZILMXRDKZVBO-OAHLLOKOSA-N 0 1 384.318 3.236 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000053981551 564596779 /nfs/dbraw/zinc/59/67/79/564596779.db2.gz AVMHOTSUTKORBV-CYBMUJFWSA-N 0 1 388.281 3.067 20 0 GGADMN CC(C)(C)c1ncc(CNCCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000127869393 564599124 /nfs/dbraw/zinc/59/91/24/564599124.db2.gz IXTFBTACCCRWTL-UHFFFAOYSA-N 0 1 393.987 3.224 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000054681168 564607951 /nfs/dbraw/zinc/60/79/51/564607951.db2.gz ZWYBOTZPJYRMNO-MRXNPFEDSA-N 0 1 396.248 3.323 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@@H](C2=Cc3cc(Br)ccc3OC2)N1 ZINC000054681172 564608424 /nfs/dbraw/zinc/60/84/24/564608424.db2.gz ZWYBOTZPJYRMNO-INIZCTEOSA-N 0 1 396.248 3.323 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000054796925 564609286 /nfs/dbraw/zinc/60/92/86/564609286.db2.gz XAXQGRKYMMUCFG-UHFFFAOYSA-N 0 1 375.475 3.381 20 0 GGADMN CC(C)(C)c1n[nH]c(SC[C@H](O)COc2cccc(Br)c2)n1 ZINC000054866419 564611237 /nfs/dbraw/zinc/61/12/37/564611237.db2.gz UMUYLNGRJHFYPS-LLVKDONJSA-N 0 1 386.315 3.397 20 0 GGADMN CC(C)(C)c1nc(SC[C@H](O)COc2cccc(Br)c2)n[nH]1 ZINC000054866419 564611239 /nfs/dbraw/zinc/61/12/39/564611239.db2.gz UMUYLNGRJHFYPS-LLVKDONJSA-N 0 1 386.315 3.397 20 0 GGADMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc(C)no2)cc1Br ZINC000055009038 564613366 /nfs/dbraw/zinc/61/33/66/564613366.db2.gz 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C[C@@H](NCc1csc(-c2cccc(Br)c2)n1)[C@H]1CN(C)CCO1 ZINC000129219797 564641837 /nfs/dbraw/zinc/64/18/37/564641837.db2.gz ZVJJIZFBQJZBOD-MLGOLLRUSA-N 0 1 396.354 3.381 20 0 GGADMN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCN(CC2CC2)CC1 ZINC000056414651 564648145 /nfs/dbraw/zinc/64/81/45/564648145.db2.gz QMHDHFZGERWPIU-UHFFFAOYSA-N 0 1 379.291 3.347 20 0 GGADMN O=S1(=O)CCC[C@H]1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000129483451 564650591 /nfs/dbraw/zinc/65/05/91/564650591.db2.gz HDJXLPIGMJUCFM-LBPRGKRZSA-N 0 1 375.334 3.391 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1 ZINC000129589282 564653219 /nfs/dbraw/zinc/65/32/19/564653219.db2.gz HLTSQRRLJUQAKS-UHFFFAOYSA-N 0 1 398.282 3.302 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Br)cc2C)c1C ZINC000129597253 564654392 /nfs/dbraw/zinc/65/43/92/564654392.db2.gz NDDOMZGJWSSKHT-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cc(Cl)ncc3Cl)c2)CC1 ZINC000129713163 564657547 /nfs/dbraw/zinc/65/75/47/564657547.db2.gz 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/nfs/dbraw/zinc/71/49/84/564714984.db2.gz IWPAKNWHNPNFOF-UHFFFAOYSA-N 0 1 387.705 3.039 20 0 GGADMN O=C1CCCN1CCCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000063416082 564717866 /nfs/dbraw/zinc/71/78/66/564717866.db2.gz UHSOAAWUCKUSJU-UHFFFAOYSA-N 0 1 381.299 3.339 20 0 GGADMN COC(=O)CCN(CC(=O)Nc1ccc(C)cc1Br)CC(C)C ZINC000063513333 564718816 /nfs/dbraw/zinc/71/88/16/564718816.db2.gz WURKEWCNIISVBC-UHFFFAOYSA-N 0 1 385.302 3.217 20 0 GGADMN CCCOc1c(Cl)cc(CNC[C@@H]2CCCS2(=O)=O)cc1OCC ZINC000131694709 564720152 /nfs/dbraw/zinc/72/01/52/564720152.db2.gz ZNLJJZQTUSKEOB-AWEZNQCLSA-N 0 1 375.918 3.194 20 0 GGADMN CCCOc1c(Cl)cc(CNC[C@H]2CCCS2(=O)=O)cc1OCC ZINC000131694895 564720234 /nfs/dbraw/zinc/72/02/34/564720234.db2.gz ZNLJJZQTUSKEOB-CQSZACIVSA-N 0 1 375.918 3.194 20 0 GGADMN Cn1cccc1[C@H]1COCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000131717629 564721080 /nfs/dbraw/zinc/72/10/80/564721080.db2.gz OYOAYBJFXUWLLC-MRXNPFEDSA-N 0 1 375.270 3.237 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)cc1Br ZINC000131701502 564721190 /nfs/dbraw/zinc/72/11/90/564721190.db2.gz WESHXWKLUCJTLH-UHFFFAOYSA-N 0 1 399.266 3.246 20 0 GGADMN CCCN(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000063761961 564721848 /nfs/dbraw/zinc/72/18/48/564721848.db2.gz PIDJESHFDIHUHN-UHFFFAOYSA-N 0 1 379.810 3.098 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl ZINC000131850890 564725972 /nfs/dbraw/zinc/72/59/72/564725972.db2.gz XNVLLJNRJLULIS-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CCN(CCc2cccs2)CC1 ZINC000064352074 564727810 /nfs/dbraw/zinc/72/78/10/564727810.db2.gz YSKNRGGGARKOSV-UHFFFAOYSA-N 0 1 397.997 3.282 20 0 GGADMN CSc1ccc(Cl)cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000064374897 564728112 /nfs/dbraw/zinc/72/81/12/564728112.db2.gz WQEZLBBJKXVCBY-UHFFFAOYSA-N 0 1 391.923 3.266 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000131969341 564729511 /nfs/dbraw/zinc/72/95/11/564729511.db2.gz DZMSKXIANFAHMN-KRWDZBQOSA-N 0 1 380.897 3.252 20 0 GGADMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000064467640 564729693 /nfs/dbraw/zinc/72/96/93/564729693.db2.gz HVHHWRPOJDCEMZ-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN COc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1Br ZINC000132005846 564730887 /nfs/dbraw/zinc/73/08/87/564730887.db2.gz NMNDAJSILYRYCK-WMLDXEAASA-N 0 1 394.313 3.137 20 0 GGADMN Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064599446 564732315 /nfs/dbraw/zinc/73/23/15/564732315.db2.gz QWCRUNVVDXEFID-OAHLLOKOSA-N 0 1 382.526 3.386 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1F ZINC000064599514 564732473 /nfs/dbraw/zinc/73/24/73/564732473.db2.gz JZHLMSDABRKMCA-ZDUSSCGKSA-N 0 1 386.489 3.217 20 0 GGADMN CSc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000064595931 564733063 /nfs/dbraw/zinc/73/30/63/564733063.db2.gz ZZACAKDZACUYMD-UHFFFAOYSA-N 0 1 386.608 3.048 20 0 GGADMN CN(CCCOc1ccc(Cl)cc1)CCNS(=O)(=O)c1ccccc1 ZINC000064629831 564733572 /nfs/dbraw/zinc/73/35/72/564733572.db2.gz HPWBVEBUTUPHRU-UHFFFAOYSA-N 0 1 382.913 3.019 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)ccc1C ZINC000132198538 564736581 /nfs/dbraw/zinc/73/65/81/564736581.db2.gz DNIHCIWLHHZCCD-UHFFFAOYSA-N 0 1 379.507 3.480 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000064954722 564737269 /nfs/dbraw/zinc/73/72/69/564737269.db2.gz VMZODFBRUPFWOT-UHFFFAOYSA-N 0 1 378.460 3.446 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000064954773 564737396 /nfs/dbraw/zinc/73/73/96/564737396.db2.gz LPLYJTWPRZFAPV-UHFFFAOYSA-N 0 1 378.460 3.446 20 0 GGADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2csc(-c3ccsc3)n2)C1 ZINC000064994603 564737907 /nfs/dbraw/zinc/73/79/07/564737907.db2.gz KNEYQRXXRKLXHQ-KGLIPLIRSA-N 0 1 379.551 3.235 20 0 GGADMN O=C(CNC(=O)Cc1[nH]nc2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000065084045 564738233 /nfs/dbraw/zinc/73/82/33/564738233.db2.gz TVIWBIJRRRWXIY-UHFFFAOYSA-N 0 1 377.231 3.167 20 0 GGADMN CCCNC(=O)C1(NCC(=O)N(C)Cc2ccc(Cl)s2)CCCCC1 ZINC000132287726 564738738 /nfs/dbraw/zinc/73/87/38/564738738.db2.gz AUTOVDLIWCRWFL-UHFFFAOYSA-N 0 1 385.961 3.179 20 0 GGADMN CCO[C@@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000065109214 564740299 /nfs/dbraw/zinc/74/02/99/564740299.db2.gz KJMXKNMHRFRERA-CYBMUJFWSA-N 0 1 378.270 3.480 20 0 GGADMN O=S(=O)([N-]c1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(F)c1 ZINC000132328912 564740421 /nfs/dbraw/zinc/74/04/21/564740421.db2.gz UBDVRBHGWKARAN-UHFFFAOYSA-N 0 1 380.510 3.218 20 0 GGADMN Cc1ncsc1CN[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000132471304 564744800 /nfs/dbraw/zinc/74/48/00/564744800.db2.gz ZWRKLRSRKNGMEU-CQSZACIVSA-N 0 1 379.551 3.477 20 0 GGADMN C[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC(C)(C)O1 ZINC000065613460 564745338 /nfs/dbraw/zinc/74/53/38/564745338.db2.gz DSCBORNFVXQEAK-NSHDSACASA-N 0 1 378.270 3.479 20 0 GGADMN CN(Cc1cccnc1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000132507235 564745690 /nfs/dbraw/zinc/74/56/90/564745690.db2.gz JQVRYCYLHZLSJB-CQSZACIVSA-N 0 1 385.689 3.369 20 0 GGADMN CN(Cc1cccnc1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000132507029 564745751 /nfs/dbraw/zinc/74/57/51/564745751.db2.gz JQVRYCYLHZLSJB-AWEZNQCLSA-N 0 1 385.689 3.369 20 0 GGADMN O=C(NCc1cc(F)ccc1Br)c1c[nH]c2ccccc2c1=O ZINC000065654373 564747447 /nfs/dbraw/zinc/74/74/47/564747447.db2.gz QPPJZJPXGZMETO-UHFFFAOYSA-N 0 1 375.197 3.360 20 0 GGADMN O=S(=O)(CCNCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000132593858 564747773 /nfs/dbraw/zinc/74/77/73/564747773.db2.gz DGPHTGKIHXBWAS-UHFFFAOYSA-N 0 1 378.288 3.213 20 0 GGADMN Cc1ccc(O)c(NS(=O)(=O)c2cccc(I)c2)c1 ZINC000132696165 564751154 /nfs/dbraw/zinc/75/11/54/564751154.db2.gz PCEBULVYCJMSOK-UHFFFAOYSA-N 0 1 389.214 3.106 20 0 GGADMN O=S(=O)(NCCOc1ccc(Br)cc1)c1c(F)cccc1F ZINC000065971983 564752718 /nfs/dbraw/zinc/75/27/18/564752718.db2.gz JJGJVKUVYWOYOY-UHFFFAOYSA-N 0 1 392.221 3.085 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)N(C)C1CCCCC1 ZINC000065972155 564752736 /nfs/dbraw/zinc/75/27/36/564752736.db2.gz AKFZSRGGCWAUID-UHFFFAOYSA-N 0 1 387.977 3.213 20 0 GGADMN Cc1ccc(-c2n[nH]cc2CNCCS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000065935847 564752854 /nfs/dbraw/zinc/75/28/54/564752854.db2.gz OBRYMCORBZMNGV-UHFFFAOYSA-N 0 1 379.869 3.195 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000065972195 564752955 /nfs/dbraw/zinc/75/29/55/564752955.db2.gz ASDBWAJUCQMPAS-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN Brc1ccc(OCc2ccccc2)c(CNCCn2cncn2)c1 ZINC000065934518 564753072 /nfs/dbraw/zinc/75/30/72/564753072.db2.gz FEWQMURUZYPHPO-UHFFFAOYSA-N 0 1 387.281 3.409 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)s1 ZINC000065972412 564753104 /nfs/dbraw/zinc/75/31/04/564753104.db2.gz LGPFCAOLHLHMQI-UHFFFAOYSA-N 0 1 376.906 3.293 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1c(F)cccc1F ZINC000065972208 564753148 /nfs/dbraw/zinc/75/31/48/564753148.db2.gz FHCVQWRAESFWED-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000065972179 564753249 /nfs/dbraw/zinc/75/32/49/564753249.db2.gz IHTFFFRAIAQQPL-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN CCCCNC(=O)C1(NCC(=O)NCc2ccc(Cl)s2)CCCCC1 ZINC000132818600 564753690 /nfs/dbraw/zinc/75/36/90/564753690.db2.gz PDBKXMWRIDANIH-UHFFFAOYSA-N 0 1 385.961 3.227 20 0 GGADMN CC(C)(CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCCCC1 ZINC000066000199 564753863 /nfs/dbraw/zinc/75/38/63/564753863.db2.gz NFVFKUZJOIKRLS-UHFFFAOYSA-N 0 1 382.423 3.387 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2O)c1 ZINC000066054119 564755296 /nfs/dbraw/zinc/75/52/96/564755296.db2.gz QZIYUZBFCMREKY-SNVBAGLBSA-N 0 1 393.237 3.380 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000066106126 564755773 /nfs/dbraw/zinc/75/57/73/564755773.db2.gz FKLCQJDYHOCTHL-LLVKDONJSA-N 0 1 382.835 3.218 20 0 GGADMN COc1ccc(CNCC(=O)Nc2ccc(I)cc2)cc1 ZINC000066092441 564756097 /nfs/dbraw/zinc/75/60/97/564756097.db2.gz RNIQLFSQFBLJNT-UHFFFAOYSA-N 0 1 396.228 3.028 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1I ZINC000132915999 564757052 /nfs/dbraw/zinc/75/70/52/564757052.db2.gz WBNWOIGOTZKXHE-NSHDSACASA-N 0 1 381.217 3.381 20 0 GGADMN C[C@H]1Oc2ccc(NC(=O)c3ccc(Br)c(O)c3)cc2NC1=O ZINC000132945109 564757773 /nfs/dbraw/zinc/75/77/73/564757773.db2.gz PISAWBFGEOBYDL-MRVPVSSYSA-N 0 1 377.194 3.126 20 0 GGADMN O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)c([O-])c1 ZINC000133051247 564760977 /nfs/dbraw/zinc/76/09/77/564760977.db2.gz QKSVUJXIMLKCEF-UHFFFAOYSA-N 0 1 389.293 3.333 20 0 GGADMN O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Br)c([O-])c1 ZINC000133051247 564760978 /nfs/dbraw/zinc/76/09/78/564760978.db2.gz QKSVUJXIMLKCEF-UHFFFAOYSA-N 0 1 389.293 3.333 20 0 GGADMN CCCn1c(=O)[nH]nc1S(=O)(=O)[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000133102892 564762626 /nfs/dbraw/zinc/76/26/26/564762626.db2.gz GZDLCIDNCHMFRP-LBPRGKRZSA-N 0 1 376.265 3.162 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000133203169 564766797 /nfs/dbraw/zinc/76/67/97/564766797.db2.gz MDPFVHLXDMXBGZ-HNNXBMFYSA-N 0 1 381.245 3.327 20 0 GGADMN C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000133272224 564768538 /nfs/dbraw/zinc/76/85/38/564768538.db2.gz HRELDDBJGJCONF-SNVBAGLBSA-N 0 1 396.228 3.147 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000066588369 564770164 /nfs/dbraw/zinc/77/01/64/564770164.db2.gz WQEVNBODQCFXKF-UHFFFAOYSA-N 0 1 395.836 3.131 20 0 GGADMN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000066586022 564770308 /nfs/dbraw/zinc/77/03/08/564770308.db2.gz HSAWYHFMBFMUCJ-UHFFFAOYSA-N 0 1 377.796 3.444 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2C)cn1 ZINC000133355723 564771051 /nfs/dbraw/zinc/77/10/51/564771051.db2.gz DVZKWKBRKFSFAL-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN O=S(=O)(Nc1cc(Br)ccc1-n1cccn1)c1ccccc1 ZINC000066813897 564775276 /nfs/dbraw/zinc/77/52/76/564775276.db2.gz RGQXIHMPBDZJQF-UHFFFAOYSA-N 0 1 378.251 3.436 20 0 GGADMN O=S(=O)([N-]CC[NH2+]C1CCCCCC1)c1sccc1Br ZINC000133531463 564776897 /nfs/dbraw/zinc/77/68/97/564776897.db2.gz YMMJRYVGPSIFJP-UHFFFAOYSA-N 0 1 381.361 3.101 20 0 GGADMN CCN(C1CCN(Cc2ccc(Cl)c3cccnc23)CC1)S(C)(=O)=O ZINC000066882996 564777156 /nfs/dbraw/zinc/77/71/56/564777156.db2.gz AJTXNPOWQGKTQT-UHFFFAOYSA-N 0 1 381.929 3.134 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000066879745 564777322 /nfs/dbraw/zinc/77/73/22/564777322.db2.gz QRGRECRLQYIASZ-ZDUSSCGKSA-N 0 1 376.469 3.095 20 0 GGADMN CCN(C1CCN([C@H](C)c2ccc(OC(F)F)cc2)CC1)S(C)(=O)=O ZINC000066883418 564777489 /nfs/dbraw/zinc/77/74/89/564777489.db2.gz QBVUQCWBXVQURR-CYBMUJFWSA-N 0 1 376.469 3.095 20 0 GGADMN CCN(C1CCN([C@@H](C)c2ccc(OC(F)F)cc2)CC1)S(C)(=O)=O ZINC000066883416 564777641 /nfs/dbraw/zinc/77/76/41/564777641.db2.gz QBVUQCWBXVQURR-ZDUSSCGKSA-N 0 1 376.469 3.095 20 0 GGADMN CCN(C1CCN(CCSc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000066883139 564777782 /nfs/dbraw/zinc/77/77/82/564777782.db2.gz VKQARXPKTLRUSU-UHFFFAOYSA-N 0 1 376.975 3.178 20 0 GGADMN CCN(C1CCN(Cc2c(Cl)ccc3cccnc32)CC1)S(C)(=O)=O ZINC000066883505 564777810 /nfs/dbraw/zinc/77/78/10/564777810.db2.gz BYZPRHWFTPTDKB-UHFFFAOYSA-N 0 1 381.929 3.134 20 0 GGADMN CSC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000133577028 564778621 /nfs/dbraw/zinc/77/86/21/564778621.db2.gz KPGDTDORSGWHNI-WFASDCNBSA-N 0 1 375.460 3.330 20 0 GGADMN CCOCCN1CCN(C(=O)Nc2ccc(Br)c(C)n2)C[C@H]1CC ZINC000133625052 564780116 /nfs/dbraw/zinc/78/01/16/564780116.db2.gz LFIJAWPGWCTHML-CQSZACIVSA-N 0 1 399.333 3.117 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000067124833 564784789 /nfs/dbraw/zinc/78/47/89/564784789.db2.gz MSUVQRFZDLGRRO-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000067124408 564784916 /nfs/dbraw/zinc/78/49/16/564784916.db2.gz BCYDQZPYPDRDKY-UHFFFAOYSA-N 0 1 398.282 3.391 20 0 GGADMN CC(C)NS(=O)(=O)c1cccc(CNCc2cccc(Br)c2)c1 ZINC000067216878 564787121 /nfs/dbraw/zinc/78/71/21/564787121.db2.gz ZOFRWKYKYVZPEL-UHFFFAOYSA-N 0 1 397.338 3.426 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1ccco1 ZINC000067274044 564787946 /nfs/dbraw/zinc/78/79/46/564787946.db2.gz FWGARWMBUAYEGC-LBPRGKRZSA-N 0 1 395.301 3.456 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1Br ZINC000133918854 564789079 /nfs/dbraw/zinc/78/90/79/564789079.db2.gz WFNRWVFXQAWHIF-HNNXBMFYSA-N 0 1 396.329 3.334 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNc3ncc(Br)cn3)cc2)C[C@H](C)O1 ZINC000067350181 564789545 /nfs/dbraw/zinc/78/95/45/564789545.db2.gz MUPCSOMDIGERPP-OKILXGFUSA-N 0 1 391.313 3.460 20 0 GGADMN COc1ccc(-c2n[nH]c(Sc3ncc(Br)cn3)n2)c(OC)c1 ZINC000067369843 564790933 /nfs/dbraw/zinc/79/09/33/564790933.db2.gz GKOUGFYIKKRLER-UHFFFAOYSA-N 0 1 394.254 3.193 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000067826594 564799584 /nfs/dbraw/zinc/79/95/84/564799584.db2.gz OTZCRLLWXMZATR-INIZCTEOSA-N 0 1 378.270 3.338 20 0 GGADMN O=C(CN[C@@H]1CCc2c1cc(Cl)cc2Br)NCC(F)(F)F ZINC000134348642 564801691 /nfs/dbraw/zinc/80/16/91/564801691.db2.gz UAHXIPKGXJPBMB-LLVKDONJSA-N 0 1 385.611 3.358 20 0 GGADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H](CO)C(C)(C)C ZINC000134401347 564802771 /nfs/dbraw/zinc/80/27/71/564802771.db2.gz YZJNHIVGPCCVQM-GFCCVEGCSA-N 0 1 379.245 3.005 20 0 GGADMN CC(C)[C@@H](N[C@H]1CCc2c1c(Br)ccc2F)C(=O)N1CCOCC1 ZINC000134433905 564803232 /nfs/dbraw/zinc/80/32/32/564803232.db2.gz BVUGBGUYXSZSIW-DOTOQJQBSA-N 0 1 399.304 3.049 20 0 GGADMN CC(C)[C@H](N[C@@H]1CCc2c1c(Br)ccc2F)C(=O)N1CCOCC1 ZINC000134433841 564803571 /nfs/dbraw/zinc/80/35/71/564803571.db2.gz BVUGBGUYXSZSIW-WBVHZDCISA-N 0 1 399.304 3.049 20 0 GGADMN CCC(=O)N1CC[C@@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000134522663 564806522 /nfs/dbraw/zinc/80/65/22/564806522.db2.gz IFQMKAJKJWQRNS-GFCCVEGCSA-N 0 1 377.229 3.151 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000134555211 564807084 /nfs/dbraw/zinc/80/70/84/564807084.db2.gz PBCAXAIBYUUPLY-UHFFFAOYSA-N 0 1 380.422 3.331 20 0 GGADMN CS[C@H]1CCCCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000134601788 564809069 /nfs/dbraw/zinc/80/90/69/564809069.db2.gz JPHMKWPOAXWMRC-AWEZNQCLSA-N 0 1 379.917 3.077 20 0 GGADMN CCC1(CO)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000134611451 564809226 /nfs/dbraw/zinc/80/92/26/564809226.db2.gz MKCIVDUCSRSHSD-UHFFFAOYSA-N 0 1 392.297 3.464 20 0 GGADMN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cscc2C)cc1F ZINC000134662271 564810882 /nfs/dbraw/zinc/81/08/82/564810882.db2.gz YSQPWZRQMDGVSH-UHFFFAOYSA-N 0 1 392.499 3.148 20 0 GGADMN CC1CCN(CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000134708264 564812589 /nfs/dbraw/zinc/81/25/89/564812589.db2.gz SZBARPJAQKFFPK-MRXNPFEDSA-N 0 1 394.357 3.124 20 0 GGADMN Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(Br)c(O)c1 ZINC000494115606 564817007 /nfs/dbraw/zinc/81/70/07/564817007.db2.gz LHAGIMWKXXCFLY-UHFFFAOYSA-N 0 1 391.200 3.435 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)c2cccc3c2N=S=N3)cc1F ZINC000134903043 564818097 /nfs/dbraw/zinc/81/80/97/564818097.db2.gz VTCWUQZCVYBKAH-UHFFFAOYSA-N 0 1 380.470 3.092 20 0 GGADMN Oc1ccccc1N1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000068517101 564820835 /nfs/dbraw/zinc/82/08/35/564820835.db2.gz NWPMEYCPMYYKRT-UHFFFAOYSA-N 0 1 377.282 3.356 20 0 GGADMN Oc1ccccc1N1CCN(CCOc2cccc(Br)c2)CC1 ZINC000068517083 564820883 /nfs/dbraw/zinc/82/08/83/564820883.db2.gz HJVNRKWVJVQNNT-UHFFFAOYSA-N 0 1 377.282 3.356 20 0 GGADMN CN1CC[C@H](CNC(=O)NCc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135175872 564824906 /nfs/dbraw/zinc/82/49/06/564824906.db2.gz ZUNHUGILFQVSCJ-WBMJQRKESA-N 0 1 382.892 3.428 20 0 GGADMN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000135252152 564826076 /nfs/dbraw/zinc/82/60/76/564826076.db2.gz IWGAYATYBYEDTJ-UHFFFAOYSA-N 0 1 398.275 3.387 20 0 GGADMN COc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1SC ZINC000068784906 564826553 /nfs/dbraw/zinc/82/65/53/564826553.db2.gz GCZVOVJPEBDCPI-CYBMUJFWSA-N 0 1 380.535 3.258 20 0 GGADMN Cc1n[nH]cc1CCCNCc1ncc(Br)cc1Br ZINC000135299543 564827067 /nfs/dbraw/zinc/82/70/67/564827067.db2.gz XWTHVQRCXFENSI-UHFFFAOYSA-N 0 1 388.107 3.361 20 0 GGADMN COc1cc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1SC ZINC000068822522 564827793 /nfs/dbraw/zinc/82/77/93/564827793.db2.gz PBDKSVCXBLVEQN-CYBMUJFWSA-N 0 1 380.535 3.258 20 0 GGADMN O=S(=O)(Cc1cccc(F)c1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000068906322 564829701 /nfs/dbraw/zinc/82/97/01/564829701.db2.gz JWQOIUGZJQXCTK-MRXNPFEDSA-N 0 1 382.526 3.219 20 0 GGADMN CSC[C@H]1CCCN1CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000135433723 564831470 /nfs/dbraw/zinc/83/14/70/564831470.db2.gz DWRJJFHMNADPKP-CQSZACIVSA-N 0 1 376.444 3.071 20 0 GGADMN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1CN1CCCCC1 ZINC000069124850 564833203 /nfs/dbraw/zinc/83/32/03/564833203.db2.gz NUIWKMSAWZSTAA-GFCCVEGCSA-N 0 1 393.372 3.150 20 0 GGADMN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(C2CC2)no1 ZINC000069128328 564833486 /nfs/dbraw/zinc/83/34/86/564833486.db2.gz DITOKKSBADYZDE-LLVKDONJSA-N 0 1 391.280 3.324 20 0 GGADMN CCS(=O)(=O)CCNCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000069173196 564834178 /nfs/dbraw/zinc/83/41/78/564834178.db2.gz FDFKYXVARQVOQC-UHFFFAOYSA-N 0 1 375.519 3.125 20 0 GGADMN NS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2SCC(F)F)o1 ZINC000135622126 564837363 /nfs/dbraw/zinc/83/73/63/564837363.db2.gz BTCLQFQVYVTMLH-UHFFFAOYSA-N 0 1 396.824 3.190 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Br)cn1 ZINC000135628151 564837578 /nfs/dbraw/zinc/83/75/78/564837578.db2.gz IUPPPMGBEHGGLM-UHFFFAOYSA-N 0 1 390.281 3.053 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cncc(Br)c1 ZINC000135622346 564837613 /nfs/dbraw/zinc/83/76/13/564837613.db2.gz LYRYYIUGISPNHB-UHFFFAOYSA-N 0 1 390.281 3.053 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)NC(=O)NNc1ncc(C(F)(F)F)cc1Cl ZINC000069334090 564837786 /nfs/dbraw/zinc/83/77/86/564837786.db2.gz CZLFZLRMTNMKMR-SSDOTTSWSA-N 0 1 376.770 3.183 20 0 GGADMN Cc1nn(C)cc1[C@H](C)NC(=O)NNc1ncc(C(F)(F)F)cc1Cl ZINC000069334096 564838291 /nfs/dbraw/zinc/83/82/91/564838291.db2.gz CZLFZLRMTNMKMR-ZETCQYMHSA-N 0 1 376.770 3.183 20 0 GGADMN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069710447 564843471 /nfs/dbraw/zinc/84/34/71/564843471.db2.gz IJXYKJCKEPVNJZ-HOTGVXAUSA-N 0 1 382.957 3.391 20 0 GGADMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069711535 564844076 /nfs/dbraw/zinc/84/40/76/564844076.db2.gz GCKPRCIACXIQPJ-HZPDHXFCSA-N 0 1 382.957 3.391 20 0 GGADMN CC(=O)Nc1cccc(CNCc2cc3c(c(Br)c2)OCO3)c1 ZINC000069831278 564846536 /nfs/dbraw/zinc/84/65/36/564846536.db2.gz AHQKJZWLVYGJRS-UHFFFAOYSA-N 0 1 377.238 3.426 20 0 GGADMN O[C@@H](CNCc1cc(F)c(F)cc1F)COc1ccccc1Br ZINC000136364613 564849122 /nfs/dbraw/zinc/84/91/22/564849122.db2.gz KBBLOLNTHVIUCM-NSHDSACASA-N 0 1 390.199 3.396 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cc(F)ccc2Br)C[C@H](C)O1 ZINC000136436989 564851121 /nfs/dbraw/zinc/85/11/21/564851121.db2.gz VWBSIZKPXWPXGP-RYUDHWBXSA-N 0 1 388.281 3.209 20 0 GGADMN O=C(NCc1nnc[nH]1)c1cccc(OCc2ccccc2Br)c1 ZINC000070824021 564852292 /nfs/dbraw/zinc/85/22/92/564852292.db2.gz JXFNLKABEYBXED-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1nnc[nH]1 ZINC000070823310 564852337 /nfs/dbraw/zinc/85/23/37/564852337.db2.gz CBXIXZDAOKIFQK-SNVBAGLBSA-N 0 1 377.857 3.051 20 0 GGADMN C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000070869476 564852401 /nfs/dbraw/zinc/85/24/01/564852401.db2.gz QSJKIHXHTATWRE-WCQYABFASA-N 0 1 381.263 3.127 20 0 GGADMN O=C(NCc1nnc[nH]1)c1ccccc1OCc1ccc(Br)cc1 ZINC000070824065 564852409 /nfs/dbraw/zinc/85/24/09/564852409.db2.gz CJJHVMPGXOMZBJ-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071028201 564855199 /nfs/dbraw/zinc/85/51/99/564855199.db2.gz WREJNLZCFRBQEZ-GFCCVEGCSA-N 0 1 387.237 3.436 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCc3cc(Br)ccc32)n[nH]1 ZINC000137394845 564862198 /nfs/dbraw/zinc/86/21/98/564862198.db2.gz FQIXRSOTFPEKSI-QFYYESIMSA-N 0 1 377.286 3.398 20 0 GGADMN COc1ccc([C@H](C)NC(=O)CCCCc2cn[nH]n2)cc1Br ZINC000138180990 564865103 /nfs/dbraw/zinc/86/51/03/564865103.db2.gz AALVGFVRESOFTC-NSHDSACASA-N 0 1 381.274 3.166 20 0 GGADMN Cc1cc(NC(=O)CNC(=O)[C@@H](C)N2CCCCCC2)ccc1Br ZINC000079309533 564866754 /nfs/dbraw/zinc/86/67/54/564866754.db2.gz SZHKILVBCAROPP-CQSZACIVSA-N 0 1 396.329 3.077 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000139193391 564867609 /nfs/dbraw/zinc/86/76/09/564867609.db2.gz AXNIGNMEYGUMPY-UHFFFAOYSA-N 0 1 395.286 3.370 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)NCC(F)(F)F)n1 ZINC000079441536 564868060 /nfs/dbraw/zinc/86/80/60/564868060.db2.gz HDXFGRLXEATMMS-SSDOTTSWSA-N 0 1 394.806 3.293 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000138970064 564868178 /nfs/dbraw/zinc/86/81/78/564868178.db2.gz HGYOEPZJECCGIK-CQSZACIVSA-N 0 1 384.318 3.074 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000139186278 564868254 /nfs/dbraw/zinc/86/82/54/564868254.db2.gz GUHXJYKLULJHAE-GFCCVEGCSA-N 0 1 379.302 3.344 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCCc1cc(Cl)ccc1Br ZINC000139589581 564868566 /nfs/dbraw/zinc/86/85/66/564868566.db2.gz ZORDQRMZQSDNGE-UHFFFAOYSA-N 0 1 385.693 3.292 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000139267808 564869065 /nfs/dbraw/zinc/86/90/65/564869065.db2.gz VSEKYLDKTXJZFU-MRXNPFEDSA-N 0 1 383.279 3.424 20 0 GGADMN CN(C)c1ncc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000091856739 564872943 /nfs/dbraw/zinc/87/29/43/564872943.db2.gz WXDYUIUTLPUCBF-LBPRGKRZSA-N 0 1 379.917 3.108 20 0 GGADMN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cccc2c[nH]nc21 ZINC000141004150 564873327 /nfs/dbraw/zinc/87/33/27/564873327.db2.gz GDYCICHLYXNIQG-UHFFFAOYSA-N 0 1 397.236 3.218 20 0 GGADMN Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)[nH]n1 ZINC000530268986 564874239 /nfs/dbraw/zinc/87/42/39/564874239.db2.gz YUYCJJBRGPLKIR-VHSXEESVSA-N 0 1 392.282 3.376 20 0 GGADMN O=C(CN1CCN(CCc2cccs2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000141511489 564874244 /nfs/dbraw/zinc/87/42/44/564874244.db2.gz QEUWYLCQMJLNKK-UHFFFAOYSA-N 0 1 381.904 3.339 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000142075974 564874741 /nfs/dbraw/zinc/87/47/41/564874741.db2.gz DVQDLDFPWKHWBT-UHFFFAOYSA-N 0 1 375.324 3.173 20 0 GGADMN COCCCN(CCOC)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000092220949 564875080 /nfs/dbraw/zinc/87/50/80/564875080.db2.gz ORLPHCZDVLGCRS-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN CCn1c2ccc(Br)cc2nc1NC(=O)c1c(C)nsc1NC ZINC000092105821 564875163 /nfs/dbraw/zinc/87/51/63/564875163.db2.gz YADPITOAFFALHO-UHFFFAOYSA-N 0 1 394.298 3.300 20 0 GGADMN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000144635643 564877672 /nfs/dbraw/zinc/87/76/72/564877672.db2.gz FWDRCZQYZNKJJZ-UHFFFAOYSA-N 0 1 387.307 3.086 20 0 GGADMN Cc1ccc(CN2CCC(c3ccnn3CCO)CC2)c(Br)c1 ZINC000092811292 564881425 /nfs/dbraw/zinc/88/14/25/564881425.db2.gz YVOBXPMQOVOQLX-UHFFFAOYSA-N 0 1 378.314 3.326 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000146475513 564882080 /nfs/dbraw/zinc/88/20/80/564882080.db2.gz VEJZWHPCPXDFEW-MRXNPFEDSA-N 0 1 382.526 3.219 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093278573 564885229 /nfs/dbraw/zinc/88/52/29/564885229.db2.gz TZRNFZRGHSLOSA-KRWDZBQOSA-N 0 1 391.309 3.312 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(OC)ccc1Br)CC2 ZINC000093613629 564887749 /nfs/dbraw/zinc/88/77/49/564887749.db2.gz MLDLOLJZGOGZTE-DLBZAZTESA-N 0 1 384.314 3.210 20 0 GGADMN CCOC(=O)c1nnc(NC(=O)c2c(F)cc(Br)cc2F)s1 ZINC000150733161 564888778 /nfs/dbraw/zinc/88/87/78/564888778.db2.gz OVVODVHWULYKJX-UHFFFAOYSA-N 0 1 392.181 3.008 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093788817 564889603 /nfs/dbraw/zinc/88/96/03/564889603.db2.gz OVKZJXPGIFUTSO-OAHLLOKOSA-N 0 1 383.330 3.312 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000093755092 564889614 /nfs/dbraw/zinc/88/96/14/564889614.db2.gz HJCYEAVPRUILDP-CQSZACIVSA-N 0 1 394.313 3.324 20 0 GGADMN COc1cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cc2c1OCO2 ZINC000093815429 564890247 /nfs/dbraw/zinc/89/02/47/564890247.db2.gz NCAWGUCXKJUMDD-HNNXBMFYSA-N 0 1 394.265 3.352 20 0 GGADMN 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CC[C@@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)N(C)C ZINC000151399041 564917797 /nfs/dbraw/zinc/91/77/97/564917797.db2.gz NGKYOBQJNCTLBF-ZDUSSCGKSA-N 0 1 380.539 3.095 20 0 GGADMN CSc1ccccc1NC(=O)CCN1CCN(c2nc(C)cs2)CC1 ZINC000101544442 564917838 /nfs/dbraw/zinc/91/78/38/564917838.db2.gz QCLJKTFXEFGGNY-UHFFFAOYSA-N 0 1 376.551 3.324 20 0 GGADMN CC[C@@H](C)N(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000151394472 564918124 /nfs/dbraw/zinc/91/81/24/564918124.db2.gz FQHNFGOFSQWRBJ-SECBINFHSA-N 0 1 384.217 3.003 20 0 GGADMN CCOc1ccc(OC[C@H](O)CN(C)Cc2cc(Br)cn2C)cc1 ZINC000151518364 564924303 /nfs/dbraw/zinc/92/43/03/564924303.db2.gz XFMRGIVUKJOWMA-MRXNPFEDSA-N 0 1 397.313 3.058 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000151519006 564924455 /nfs/dbraw/zinc/92/44/55/564924455.db2.gz UJZKFBZJMZQNKK-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000151558130 564926425 /nfs/dbraw/zinc/92/64/25/564926425.db2.gz FHVCXLKEMZTLDL-ZANVPECISA-N 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CCN1CCCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000102942537 564939943 /nfs/dbraw/zinc/93/99/43/564939943.db2.gz PNIXCXIGUIUPNS-UHFFFAOYSA-N 0 1 382.295 3.050 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@H]1C=CCCC1 ZINC000151928310 564940828 /nfs/dbraw/zinc/94/08/28/564940828.db2.gz DBOBBWOPFSLGIU-ZDUSSCGKSA-N 0 1 376.258 3.142 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@H]1C=CCCC1 ZINC000151928310 564940830 /nfs/dbraw/zinc/94/08/30/564940830.db2.gz DBOBBWOPFSLGIU-ZDUSSCGKSA-N 0 1 376.258 3.142 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000103057737 564942096 /nfs/dbraw/zinc/94/20/96/564942096.db2.gz JNDMUBSEYXCDKH-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000103058451 564942187 /nfs/dbraw/zinc/94/21/87/564942187.db2.gz HTNZAJGARWWZQT-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN NC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000103058189 564942235 /nfs/dbraw/zinc/94/22/35/564942235.db2.gz 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ZINC000267433152 565117306 /nfs/dbraw/zinc/11/73/06/565117306.db2.gz ZAOJVRSFTZJUSS-LBPRGKRZSA-N 0 1 382.291 3.269 20 0 GGADMN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1OCCc2sccc21 ZINC000292475759 565117611 /nfs/dbraw/zinc/11/76/11/565117611.db2.gz RRAVVXIDNNGJBM-YGRLFVJLSA-N 0 1 380.539 3.128 20 0 GGADMN Cc1cc(=O)n2nc(CN3CC[C@@H](Sc4cccc(Cl)c4)C3)sc2n1 ZINC000292457577 565117868 /nfs/dbraw/zinc/11/78/68/565117868.db2.gz QAHJNSDYPCGUMS-CQSZACIVSA-N 0 1 392.937 3.479 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000184205206 565118478 /nfs/dbraw/zinc/11/84/78/565118478.db2.gz RBSYLKUITFXQGI-KBPBESRZSA-N 0 1 378.460 3.289 20 0 GGADMN CN(C)S(=O)(=O)CCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000157101701 565118716 /nfs/dbraw/zinc/11/87/16/565118716.db2.gz NAUKIWAEQNHPCI-GOSISDBHSA-N 0 1 384.904 3.440 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000184209008 565120350 /nfs/dbraw/zinc/12/03/50/565120350.db2.gz VAHBFMAGRJGQTN-KGLIPLIRSA-N 0 1 378.460 3.431 20 0 GGADMN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NCCc1nc[nH]n1 ZINC000267528927 565120758 /nfs/dbraw/zinc/12/07/58/565120758.db2.gz PJCRSERNBDCRFB-AWEZNQCLSA-N 0 1 379.302 3.131 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3nc4c(s3)CCCCC4)ccc2[nH]1 ZINC000267526131 565121008 /nfs/dbraw/zinc/12/10/08/565121008.db2.gz PQICLEWIJYLDNA-UHFFFAOYSA-N 0 1 375.475 3.467 20 0 GGADMN Cc1oc(-c2cccs2)nc1CS(=O)(=O)Cc1n[nH]c(C(C)(C)C)n1 ZINC000292556815 565121868 /nfs/dbraw/zinc/12/18/68/565121868.db2.gz XQNHHHVRRQRKFL-UHFFFAOYSA-N 0 1 380.495 3.242 20 0 GGADMN COc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)c(Br)c1OC ZINC000370013402 565122704 /nfs/dbraw/zinc/12/27/04/565122704.db2.gz VYGIGMALMAOFLI-CYBMUJFWSA-N 0 1 394.313 3.264 20 0 GGADMN NC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC000157191242 565122790 /nfs/dbraw/zinc/12/27/90/565122790.db2.gz IMTPFCJCUZQVFQ-OAHLLOKOSA-N 0 1 389.293 3.335 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccsc1 ZINC000184252317 565123544 /nfs/dbraw/zinc/12/35/44/565123544.db2.gz FEXRWCFRBRMXQK-LBPRGKRZSA-N 0 1 380.274 3.248 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccsc1 ZINC000184252491 565123673 /nfs/dbraw/zinc/12/36/73/565123673.db2.gz BHLVZCFXZDIVCZ-CYBMUJFWSA-N 0 1 394.301 3.389 20 0 GGADMN COc1ccccc1S(=O)(=O)CCCNC(C)(C)c1nc(C)c(C)s1 ZINC000184264019 565124118 /nfs/dbraw/zinc/12/41/18/565124118.db2.gz BZVGUUFNJUAWGC-UHFFFAOYSA-N 0 1 382.551 3.457 20 0 GGADMN C[C@H](C[S@](C)=O)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000184255922 565124255 /nfs/dbraw/zinc/12/42/55/565124255.db2.gz RICXZYYBNHKFRM-ZLOXQWCVSA-N 0 1 397.338 3.280 20 0 GGADMN CC(=O)N1CC[C@@](C)(C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000370078151 565126432 /nfs/dbraw/zinc/12/64/32/565126432.db2.gz QXYFSNKDLIXWJI-CQSZACIVSA-N 0 1 375.650 3.005 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000267698871 565127176 /nfs/dbraw/zinc/12/71/76/565127176.db2.gz RNNRZKCWTKSCLV-BDJLRTHQSA-N 0 1 385.295 3.379 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000267698885 565127229 /nfs/dbraw/zinc/12/72/29/565127229.db2.gz RNNRZKCWTKSCLV-ZBEGNZNMSA-N 0 1 385.295 3.379 20 0 GGADMN COCCc1nc2cc(NS(=O)(=O)c3cnc(Cl)c(C)c3)ccc2o1 ZINC000267719315 565128576 /nfs/dbraw/zinc/12/85/76/565128576.db2.gz BJSWJGXUPFPNDM-UHFFFAOYSA-N 0 1 381.841 3.174 20 0 GGADMN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000184345391 565129121 /nfs/dbraw/zinc/12/91/21/565129121.db2.gz SJJCNFFSBCJGQF-RUZDIDTESA-N 0 1 379.551 3.222 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)CSc2n[nH]c(=S)s2)c(C)c1OC ZINC000292685994 565129322 /nfs/dbraw/zinc/12/93/22/565129322.db2.gz PYSKFCXOYLIGIR-SECBINFHSA-N 0 1 385.536 3.122 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370116643 565129587 /nfs/dbraw/zinc/12/95/87/565129587.db2.gz JHGRTUOOTLMSSO-TZMCWYRMSA-N 0 1 392.301 3.087 20 0 GGADMN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c(F)cc1Br ZINC000292685910 565129628 /nfs/dbraw/zinc/12/96/28/565129628.db2.gz PXMROSQZIMYHOU-INIZCTEOSA-N 0 1 385.277 3.479 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3nn(C)cc3Br)[nH]c2c1 ZINC000292737268 565131597 /nfs/dbraw/zinc/13/15/97/565131597.db2.gz QLTXJZZSIUKUAJ-CQSZACIVSA-N 0 1 388.269 3.345 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Cl)ns1)N1CCN(CC2CC2)CC1 ZINC000184381278 565131986 /nfs/dbraw/zinc/13/19/86/565131986.db2.gz RDFPDYWTPPVFEI-UHFFFAOYSA-N 0 1 377.901 3.418 20 0 GGADMN O=C1CCCCN1CC1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000157446188 565132113 /nfs/dbraw/zinc/13/21/13/565132113.db2.gz XCFIGBYRPDBGHJ-SFHVURJKSA-N 0 1 395.341 3.207 20 0 GGADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1cnc([C@H]2CCCO2)s1 ZINC000292793151 565134667 /nfs/dbraw/zinc/13/46/67/565134667.db2.gz MRJSGKOEBAOZDA-RAIGVLPGSA-N 0 1 377.432 3.026 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCNc2cccc(C)n2)c1 ZINC000157504540 565134885 /nfs/dbraw/zinc/13/48/85/565134885.db2.gz RYLWAPMOKNDKJA-UHFFFAOYSA-N 0 1 378.270 3.393 20 0 GGADMN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1cc(F)c(F)c(F)c1 ZINC000157577369 565136638 /nfs/dbraw/zinc/13/66/38/565136638.db2.gz UGUMISAEJMSMQS-UHFFFAOYSA-N 0 1 388.758 3.139 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@@H](O)COC1CCOCC1 ZINC000268001157 565136792 /nfs/dbraw/zinc/13/67/92/565136792.db2.gz NFJWFWUMNRYSBI-MRXNPFEDSA-N 0 1 386.330 3.218 20 0 GGADMN COc1ccc(C[C@@](C)(O)CNCc2ncc(CSC)s2)cc1OC ZINC000292830264 565137239 /nfs/dbraw/zinc/13/72/39/565137239.db2.gz ALRKKCXQUVPDAW-GOSISDBHSA-N 0 1 382.551 3.107 20 0 GGADMN COCc1cccc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)c1 ZINC000184467241 565137534 /nfs/dbraw/zinc/13/75/34/565137534.db2.gz SPBBCEIWXJFRSX-UHFFFAOYSA-N 0 1 398.278 3.331 20 0 GGADMN O=C(C[C@@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000268006747 565137862 /nfs/dbraw/zinc/13/78/62/565137862.db2.gz OIFNHGLLJJHDID-LBPRGKRZSA-N 0 1 379.532 3.183 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000184484399 565138075 /nfs/dbraw/zinc/13/80/75/565138075.db2.gz URFLPVAGKXQZNV-INIZCTEOSA-N 0 1 396.260 3.478 20 0 GGADMN CCc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000184484783 565138576 /nfs/dbraw/zinc/13/85/76/565138576.db2.gz SVOQMWQFCQBQHJ-HNNXBMFYSA-N 0 1 382.233 3.087 20 0 GGADMN O=C(C[C@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1)c1cccs1 ZINC000268004590 565138779 /nfs/dbraw/zinc/13/87/79/565138779.db2.gz NVUKQHNKPJHJND-SECBINFHSA-N 0 1 385.561 3.244 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292881506 565139005 /nfs/dbraw/zinc/13/90/05/565139005.db2.gz FAZKQIAMAAQXII-DLBZAZTESA-N 0 1 379.302 3.321 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000268043943 565139518 /nfs/dbraw/zinc/13/95/18/565139518.db2.gz YVQZMZBRAPCSHP-ZJUUUORDSA-N 0 1 387.577 3.095 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C1CCC(CO)CC1 ZINC000157633205 565139878 /nfs/dbraw/zinc/13/98/78/565139878.db2.gz LRONZWMTLYWYRY-UHFFFAOYSA-N 0 1 392.297 3.462 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000268043941 565140017 /nfs/dbraw/zinc/14/00/17/565140017.db2.gz YVQZMZBRAPCSHP-VHSXEESVSA-N 0 1 387.577 3.095 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NC1(c2cccc(Br)c2)CCC1 ZINC000157658008 565140021 /nfs/dbraw/zinc/14/00/21/565140021.db2.gz KGOOWWRRVOSZQZ-UHFFFAOYSA-N 0 1 377.286 3.476 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccncc1Br ZINC000157649826 565140064 /nfs/dbraw/zinc/14/00/64/565140064.db2.gz VEOQKLPNQQSKCG-UHFFFAOYSA-N 0 1 375.226 3.016 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000157689327 565141259 /nfs/dbraw/zinc/14/12/59/565141259.db2.gz LRYOGKNYMWGVFZ-WCQYABFASA-N 0 1 389.334 3.073 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)COC2)c1cc(Br)cc2c1OCC2 ZINC000184547960 565143103 /nfs/dbraw/zinc/14/31/03/565143103.db2.gz ZKZIVFBMTQKAME-UHFFFAOYSA-N 0 1 396.262 3.215 20 0 GGADMN O[C@H]1CCCN(Cc2coc(-c3ccc(I)cc3)n2)CC1 ZINC000292988085 565144426 /nfs/dbraw/zinc/14/44/26/565144426.db2.gz BVTQLMIDODLOFB-HNNXBMFYSA-N 0 1 398.244 3.293 20 0 GGADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1c(F)cccc1I ZINC000184587546 565146996 /nfs/dbraw/zinc/14/69/96/565146996.db2.gz ZTTUNMLQZAGHFU-UHFFFAOYSA-N 0 1 386.168 3.068 20 0 GGADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1c(F)cccc1I ZINC000184587546 565147002 /nfs/dbraw/zinc/14/70/02/565147002.db2.gz ZTTUNMLQZAGHFU-UHFFFAOYSA-N 0 1 386.168 3.068 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3ccc(Br)cc3C)C2)n1 ZINC000268421322 565151238 /nfs/dbraw/zinc/15/12/38/565151238.db2.gz CRLIJFIDPHFTGE-CYBMUJFWSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc(Br)cc3C)C2)[nH]1 ZINC000268421322 565151244 /nfs/dbraw/zinc/15/12/44/565151244.db2.gz CRLIJFIDPHFTGE-CYBMUJFWSA-N 0 1 392.301 3.002 20 0 GGADMN C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000184698086 565152667 /nfs/dbraw/zinc/15/26/67/565152667.db2.gz GBGFOZFQIBUJIF-JGVFFNPUSA-N 0 1 392.212 3.389 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000184725283 565153888 /nfs/dbraw/zinc/15/38/88/565153888.db2.gz IMHMOTBTHWTAGL-UHFFFAOYSA-N 0 1 390.285 3.394 20 0 GGADMN COC[C@@](C)(CC(=O)OC)NCc1cccc(Br)c1OC(F)F ZINC000158127031 565157021 /nfs/dbraw/zinc/15/70/21/565157021.db2.gz KBAPHCDPBVAMPE-OAHLLOKOSA-N 0 1 396.228 3.108 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1Cl ZINC000293238574 565158154 /nfs/dbraw/zinc/15/81/54/565158154.db2.gz BEMCLFYHZBMVOW-INIZCTEOSA-N 0 1 382.917 3.273 20 0 GGADMN CSCc1cnc(CNc2cccc(CN3CCC[C@@H]3C(N)=O)c2)s1 ZINC000293240529 565158434 /nfs/dbraw/zinc/15/84/34/565158434.db2.gz LGCFUUYVZLOZAQ-MRXNPFEDSA-N 0 1 376.551 3.068 20 0 GGADMN Cc1n[nH]c(CCNC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)n1 ZINC000293251838 565158514 /nfs/dbraw/zinc/15/85/14/565158514.db2.gz CYONGCPPLMYFHK-UHFFFAOYSA-N 0 1 379.302 3.112 20 0 GGADMN Cc1nn2c(nc(C)c2CNCCCS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000293267611 565159495 /nfs/dbraw/zinc/15/94/95/565159495.db2.gz BTUCEJYHADEWPD-UHFFFAOYSA-N 0 1 398.941 3.015 20 0 GGADMN O=C(NCCOc1cccc(Br)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184854537 565161023 /nfs/dbraw/zinc/16/10/23/565161023.db2.gz PWFAMTZZOOVWAF-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000268687634 565162413 /nfs/dbraw/zinc/16/24/13/565162413.db2.gz PBFULBMNEDDFAP-QMMMGPOBSA-N 0 1 396.346 3.076 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000268685686 565162514 /nfs/dbraw/zinc/16/25/14/565162514.db2.gz FWPKYSKLRWYVAN-UHFFFAOYSA-N 0 1 396.329 3.340 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)c1ccc(-c2nnc[nH]2)cc1 ZINC000184880461 565163292 /nfs/dbraw/zinc/16/32/92/565163292.db2.gz ZNUABKUJEBQOCH-UHFFFAOYSA-N 0 1 389.228 3.346 20 0 GGADMN CN(CCNCc1cnc(-c2ccsc2)s1)S(=O)(=O)c1cccs1 ZINC000158287061 565164183 /nfs/dbraw/zinc/16/41/83/565164183.db2.gz VQHCYZFDNYITEO-UHFFFAOYSA-N 0 1 399.588 3.343 20 0 GGADMN COc1cc(C)c(Br)cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000184899720 565164862 /nfs/dbraw/zinc/16/48/62/565164862.db2.gz MFATZSMBEHUGMF-NSHDSACASA-N 0 1 378.288 3.077 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000268726547 565165514 /nfs/dbraw/zinc/16/55/14/565165514.db2.gz PMPWFCQYVJYMTJ-CQSZACIVSA-N 0 1 396.329 3.198 20 0 GGADMN CC(C)(C)c1ccc([C@@H](O)CNC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000268723703 565165559 /nfs/dbraw/zinc/16/55/59/565165559.db2.gz WQLWTDJMCAFNTM-LBPRGKRZSA-N 0 1 383.564 3.066 20 0 GGADMN Cn1cc(Br)c(CNC2(Cc3ccc(F)cc3)CCOCC2)n1 ZINC000293382804 565165790 /nfs/dbraw/zinc/16/57/90/565165790.db2.gz WINLNFKHAQEPFM-UHFFFAOYSA-N 0 1 382.277 3.203 20 0 GGADMN CCNC(=O)[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000293415504 565166233 /nfs/dbraw/zinc/16/62/33/565166233.db2.gz ZILOREKDQWKHNO-AWEZNQCLSA-N 0 1 379.810 3.048 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)c(Cl)c1Cl ZINC000268802397 565167743 /nfs/dbraw/zinc/16/77/43/565167743.db2.gz QQYAOUVQTBRGBF-VIFPVBQESA-N 0 1 376.265 3.081 20 0 GGADMN Cc1ncc([C@@H](C)NCc2cc(Br)c3c(c2)OCCO3)c(C)n1 ZINC000268839526 565168822 /nfs/dbraw/zinc/16/88/22/565168822.db2.gz QJVARUPVZTZJMA-SNVBAGLBSA-N 0 1 378.270 3.478 20 0 GGADMN Cc1ncc([C@H](C)NCc2cc(Br)c3c(c2)OCCO3)c(C)n1 ZINC000268839525 565169149 /nfs/dbraw/zinc/16/91/49/565169149.db2.gz QJVARUPVZTZJMA-JTQLQIEISA-N 0 1 378.270 3.478 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268836694 565169793 /nfs/dbraw/zinc/16/97/93/565169793.db2.gz DPFWQOHRXDMLCM-CYBMUJFWSA-N 0 1 379.258 3.058 20 0 GGADMN CN(C)C1CN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1 ZINC000158424145 565169851 /nfs/dbraw/zinc/16/98/51/565169851.db2.gz FYNHBFXPELUXOO-UHFFFAOYSA-N 0 1 379.254 3.007 20 0 GGADMN C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccccc1Br ZINC000158453529 565170364 /nfs/dbraw/zinc/17/03/64/565170364.db2.gz AJGPIFRQWILMON-HNNXBMFYSA-N 0 1 389.341 3.447 20 0 GGADMN CSCc1cnc(CNC[C@H](c2cccc(F)c2)N2CCOCC2)s1 ZINC000293524509 565172285 /nfs/dbraw/zinc/17/22/85/565172285.db2.gz IWGNUEWQCCEFAH-QGZVFWFLSA-N 0 1 381.542 3.308 20 0 GGADMN CSCc1cnc(CNC[C@@H](c2cccc(F)c2)N2CCOCC2)s1 ZINC000293524503 565172601 /nfs/dbraw/zinc/17/26/01/565172601.db2.gz IWGNUEWQCCEFAH-KRWDZBQOSA-N 0 1 381.542 3.308 20 0 GGADMN COc1cc(Br)c(CN2CCC3(CC2)OCCCO3)c(OC)c1 ZINC000293520593 565172652 /nfs/dbraw/zinc/17/26/52/565172652.db2.gz AYJMRWMABYKQKW-UHFFFAOYSA-N 0 1 386.286 3.195 20 0 GGADMN Cn1c2ccccc2nc1CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000293525803 565172670 /nfs/dbraw/zinc/17/26/70/565172670.db2.gz WMMPSOMEXWNNQW-UHFFFAOYSA-N 0 1 377.897 3.180 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1cccs1 ZINC000268952194 565173137 /nfs/dbraw/zinc/17/31/37/565173137.db2.gz SMCDJKCBKDYOPH-MRVPVSSYSA-N 0 1 379.433 3.129 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)CC2)c(C)cc1Br ZINC000158539386 565173345 /nfs/dbraw/zinc/17/33/45/565173345.db2.gz BTENKJYDIOVQMC-UHFFFAOYSA-N 0 1 381.314 3.003 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269061557 565176366 /nfs/dbraw/zinc/17/63/66/565176366.db2.gz ZXVUBHRJTWKUFD-CQSZACIVSA-N 0 1 393.285 3.400 20 0 GGADMN CN1CCN(C)[C@@H](CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000293613380 565177317 /nfs/dbraw/zinc/17/73/17/565177317.db2.gz GRKZLRPYOVEMMT-MAUKXSAKSA-N 0 1 396.304 3.106 20 0 GGADMN CC(C)(CO)[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccnc1 ZINC000293698699 565180383 /nfs/dbraw/zinc/18/03/83/565180383.db2.gz RHYFNBGRQWGEQR-KRWDZBQOSA-N 0 1 393.281 3.422 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2c(Br)cccc2C1 ZINC000185156129 565181694 /nfs/dbraw/zinc/18/16/94/565181694.db2.gz BAUYVHLRXLCYHR-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN O[C@@H](CN[C@@H](c1cccs1)c1nnc[nH]1)COc1cccc(Cl)c1Cl ZINC000293746805 565182028 /nfs/dbraw/zinc/18/20/28/565182028.db2.gz NXMDNOUFDZAIIN-BONVTDFDSA-N 0 1 399.303 3.292 20 0 GGADMN Nc1cc(Br)ccc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000185163970 565183593 /nfs/dbraw/zinc/18/35/93/565183593.db2.gz BDWLYUCFPMAQBC-UHFFFAOYSA-N 0 1 388.309 3.379 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000269279400 565184753 /nfs/dbraw/zinc/18/47/53/565184753.db2.gz PIDQJGDXMGMKFH-OAHLLOKOSA-N 0 1 396.329 3.252 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185205135 565187006 /nfs/dbraw/zinc/18/70/06/565187006.db2.gz ICAIPGGTOAOMLA-PXAZEXFGSA-N 0 1 391.313 3.256 20 0 GGADMN CCOC(=O)c1ccc(CN2CCC(n3cc(Br)cn3)CC2)o1 ZINC000371334936 565187689 /nfs/dbraw/zinc/18/76/89/565187689.db2.gz HVQCMWARCCHRTK-UHFFFAOYSA-N 0 1 382.258 3.252 20 0 GGADMN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185249453 565189803 /nfs/dbraw/zinc/18/98/03/565189803.db2.gz RJKKBQGHSJPKIA-XMMPIXPASA-N 0 1 380.466 3.295 20 0 GGADMN Cc1nc2scc(C3CC3)n2c1CNCCS(=O)(=O)c1ccccc1 ZINC000269395360 565189930 /nfs/dbraw/zinc/18/99/30/565189930.db2.gz WEPJBAYMQCPCDJ-UHFFFAOYSA-N 0 1 375.519 3.145 20 0 GGADMN C[C@H]1[C@@H](NCc2ccc(-c3cccc(Br)c3)o2)CCS1(=O)=O ZINC000293991461 565193308 /nfs/dbraw/zinc/19/33/08/565193308.db2.gz SBZTTWXOJPDYFZ-NHYWBVRUSA-N 0 1 384.295 3.374 20 0 GGADMN CSCc1noc(CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)n1 ZINC000269520284 565193362 /nfs/dbraw/zinc/19/33/62/565193362.db2.gz DFRYKXYASDZXPH-UHFFFAOYSA-N 0 1 396.270 3.143 20 0 GGADMN C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000159082039 565194054 /nfs/dbraw/zinc/19/40/54/565194054.db2.gz JPJPXHHKLOPJLP-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN COCCc1ccc(OC[C@H](O)CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000294002035 565194166 /nfs/dbraw/zinc/19/41/66/565194166.db2.gz GDDPXPLCSDKRRV-BPQIPLTHSA-N 0 1 388.335 3.131 20 0 GGADMN C[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000159081908 565194268 /nfs/dbraw/zinc/19/42/68/565194268.db2.gz JPJPXHHKLOPJLP-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN CCc1nc(C)c([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000185300739 565194679 /nfs/dbraw/zinc/19/46/79/565194679.db2.gz QFXHXSHEESBJNW-CYBMUJFWSA-N 0 1 379.551 3.405 20 0 GGADMN C[C@](N)(C(=O)NCCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000294045030 565194891 /nfs/dbraw/zinc/19/48/91/565194891.db2.gz IUZKVPHRVNCLGU-GOSISDBHSA-N 0 1 391.313 3.027 20 0 GGADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185359886 565197050 /nfs/dbraw/zinc/19/70/50/565197050.db2.gz ZDPRWXOYRGZPMO-ZBEGNZNMSA-N 0 1 377.286 3.245 20 0 GGADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185359922 565197336 /nfs/dbraw/zinc/19/73/36/565197336.db2.gz ZDPRWXOYRGZPMO-BZNIZROVSA-N 0 1 377.286 3.245 20 0 GGADMN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000294084330 565197367 /nfs/dbraw/zinc/19/73/67/565197367.db2.gz MGMSQNMJKLZHOZ-XVGQJIODSA-N 0 1 391.309 3.251 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000159191293 565198198 /nfs/dbraw/zinc/19/81/98/565198198.db2.gz GPTNTKLEULQIMK-OAHLLOKOSA-N 0 1 379.287 3.142 20 0 GGADMN CC(=O)N(c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)[C@@H]1C[C@H]1C ZINC000294194230 565201657 /nfs/dbraw/zinc/20/16/57/565201657.db2.gz OZBZKDVNDCKOPT-NOZJJQNGSA-N 0 1 394.547 3.319 20 0 GGADMN CC(=O)N(c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)[C@H]1C[C@H]1C ZINC000294194231 565202397 /nfs/dbraw/zinc/20/23/97/565202397.db2.gz OZBZKDVNDCKOPT-RNCFNFMXSA-N 0 1 394.547 3.319 20 0 GGADMN CN1CCN(C)[C@H](CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000269918155 565203618 /nfs/dbraw/zinc/20/36/18/565203618.db2.gz KCQMIXWABBVFDT-CYBMUJFWSA-N 0 1 385.364 3.452 20 0 GGADMN O=C(CCc1cc(F)ccc1Br)N1CCC(c2nc[nH]n2)CC1 ZINC000371696486 565205167 /nfs/dbraw/zinc/20/51/67/565205167.db2.gz NFIQXUZYKBWBJE-UHFFFAOYSA-N 0 1 381.249 3.045 20 0 GGADMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000270083561 565207636 /nfs/dbraw/zinc/20/76/36/565207636.db2.gz AEKDAJFOHCTIPZ-QMMMGPOBSA-N 0 1 382.408 3.013 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000185554592 565208107 /nfs/dbraw/zinc/20/81/07/565208107.db2.gz KVAMFPPGMGLXBI-UHFFFAOYSA-N 0 1 384.251 3.461 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000294357792 565209863 /nfs/dbraw/zinc/20/98/63/565209863.db2.gz QXWVJCBLTHGKHB-LLVKDONJSA-N 0 1 378.548 3.325 20 0 GGADMN O=C(Cc1ccn[nH]1)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000371792046 565210119 /nfs/dbraw/zinc/21/01/19/565210119.db2.gz GGAVRBTVNBLEMD-HNNXBMFYSA-N 0 1 381.263 3.279 20 0 GGADMN C[C@@H]1OCC[C@@]1(O)CN[C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000294384119 565211121 /nfs/dbraw/zinc/21/11/21/565211121.db2.gz RNPJWUGHCKXBOA-YMRXKLBXSA-N 0 1 384.245 3.400 20 0 GGADMN CCc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)n[nH]1 ZINC000185619029 565211176 /nfs/dbraw/zinc/21/11/76/565211176.db2.gz OWGOBBXRGNUFMX-UHFFFAOYSA-N 0 1 378.270 3.418 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)cc1Cl ZINC000185634994 565212116 /nfs/dbraw/zinc/21/21/16/565212116.db2.gz CSEMSAPBZOYNJK-UHFFFAOYSA-N 0 1 395.897 3.053 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1nccs1 ZINC000185623241 565212236 /nfs/dbraw/zinc/21/22/36/565212236.db2.gz DCABGQYLJDDEPO-WPRPVWTQSA-N 0 1 375.420 3.197 20 0 GGADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000185651782 565213720 /nfs/dbraw/zinc/21/37/20/565213720.db2.gz GBMGHXDQDSHIPX-DEOSSOPVSA-N 0 1 393.408 3.265 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)ccc1Br ZINC000371918621 565215298 /nfs/dbraw/zinc/21/52/98/565215298.db2.gz OBPWIQRQIDNOEI-GFCCVEGCSA-N 0 1 392.301 3.082 20 0 GGADMN Brc1ccccc1C1(CN[C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000294540323 565216806 /nfs/dbraw/zinc/21/68/06/565216806.db2.gz AIGUAMCNGBKVOY-MRXNPFEDSA-N 0 1 384.281 3.373 20 0 GGADMN C[C@H](Cc1ccccc1Br)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000371936748 565217164 /nfs/dbraw/zinc/21/71/64/565217164.db2.gz GIHGEHRBDLCICJ-TZMCWYRMSA-N 0 1 392.301 3.087 20 0 GGADMN CCc1c(NC(=O)[C@H]2CCCC(=O)N2)[nH]nc1-c1ccc(Br)cc1 ZINC000270417686 565217676 /nfs/dbraw/zinc/21/76/76/565217676.db2.gz KAPSAABQADDUMV-CYBMUJFWSA-N 0 1 391.269 3.009 20 0 GGADMN CSc1ccc([C@H](CNC(=O)C(=O)Nc2cscc2C)N(C)C)cc1 ZINC000294587093 565218968 /nfs/dbraw/zinc/21/89/68/565218968.db2.gz NWKIOODGPCWCPI-INIZCTEOSA-N 0 1 377.535 3.136 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@@H](CO)CC1 ZINC000294639072 565220952 /nfs/dbraw/zinc/22/09/52/565220952.db2.gz SOKCPJRVQFDLEC-GFCCVEGCSA-N 0 1 378.270 3.074 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000185796533 565221725 /nfs/dbraw/zinc/22/17/25/565221725.db2.gz DCMDNQNFWHWTKF-UHFFFAOYSA-N 0 1 378.152 3.250 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000270569803 565222305 /nfs/dbraw/zinc/22/23/05/565222305.db2.gz MTKGFPWNVPXMIU-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN CC(C)c1nc(CNCc2c(F)ccc(I)c2F)n[nH]1 ZINC000294662395 565222661 /nfs/dbraw/zinc/22/26/61/565222661.db2.gz AESWNICQWNVISA-UHFFFAOYSA-N 0 1 392.191 3.101 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000270569801 565222781 /nfs/dbraw/zinc/22/27/81/565222781.db2.gz MTKGFPWNVPXMIU-JTQLQIEISA-N 0 1 387.303 3.039 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CCOc2ccccc2Br)n[nH]1 ZINC000270607188 565223376 /nfs/dbraw/zinc/22/33/76/565223376.db2.gz DUEBCJIUBOVGIC-NSHDSACASA-N 0 1 381.274 3.337 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)n[nH]1 ZINC000270606490 565223461 /nfs/dbraw/zinc/22/34/61/565223461.db2.gz FOIFRDUVJNPIJH-YUMQZZPRSA-N 0 1 376.408 3.354 20 0 GGADMN CC(C)(C[C@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1)C(N)=O ZINC000294690235 565223501 /nfs/dbraw/zinc/22/35/01/565223501.db2.gz CHVCVOZLELUKAX-CYBMUJFWSA-N 0 1 393.329 3.210 20 0 GGADMN COc1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc(OC)c1Br ZINC000270604753 565224019 /nfs/dbraw/zinc/22/40/19/565224019.db2.gz DNXVARVMBFDGMM-SECBINFHSA-N 0 1 397.273 3.199 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000270598934 565224197 /nfs/dbraw/zinc/22/41/97/565224197.db2.gz VIBHALMHLLVBKS-VIFPVBQESA-N 0 1 377.297 3.416 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000270633211 565224637 /nfs/dbraw/zinc/22/46/37/565224637.db2.gz HEZZWYFVNYBBSI-QMMMGPOBSA-N 0 1 375.650 3.005 20 0 GGADMN O=C(CCOC1CCOCC1)Nc1cc(Br)cc(Cl)c1O ZINC000270690646 565225897 /nfs/dbraw/zinc/22/58/97/565225897.db2.gz XNZAQNGHPRBJSA-UHFFFAOYSA-N 0 1 378.650 3.332 20 0 GGADMN C[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccc(C(F)(F)F)nc1Cl ZINC000294743026 565225931 /nfs/dbraw/zinc/22/59/31/565225931.db2.gz PJPGEXXJINEBPB-VIFPVBQESA-N 0 1 375.782 3.462 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2cc(F)ccc2Br)n[nH]1 ZINC000270676271 565226198 /nfs/dbraw/zinc/22/61/98/565226198.db2.gz MCGQLUQAPFULKV-VIFPVBQESA-N 0 1 384.253 3.390 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)n[nH]1 ZINC000270726035 565226264 /nfs/dbraw/zinc/22/62/64/565226264.db2.gz ITTNKTHIXHNSSV-SNVBAGLBSA-N 0 1 383.315 3.240 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2cc(F)ccc2Br)n[nH]1 ZINC000270676266 565226348 /nfs/dbraw/zinc/22/63/48/565226348.db2.gz MCGQLUQAPFULKV-SECBINFHSA-N 0 1 384.253 3.390 20 0 GGADMN CCc1nc([C@@H](C)NCc2nc(-c3cccc(Br)c3)c[nH]2)n[nH]1 ZINC000270747125 565227352 /nfs/dbraw/zinc/22/73/52/565227352.db2.gz WZNFPEAWUHLSNG-SNVBAGLBSA-N 0 1 375.274 3.371 20 0 GGADMN COc1ccc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Br ZINC000270754134 565227632 /nfs/dbraw/zinc/22/76/32/565227632.db2.gz OZAPPCSGLDYHLD-SNVBAGLBSA-N 0 1 396.289 3.260 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270788457 565228929 /nfs/dbraw/zinc/22/89/29/565228929.db2.gz VCRQJPBCSSFKFP-SNVBAGLBSA-N 0 1 396.289 3.260 20 0 GGADMN COc1ccc(Br)cc1CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185910470 565228897 /nfs/dbraw/zinc/22/88/97/565228897.db2.gz FYHZPTQEYARHRM-OAHLLOKOSA-N 0 1 397.700 3.297 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)Nc1cc(C)nn1C ZINC000185929790 565230300 /nfs/dbraw/zinc/23/03/00/565230300.db2.gz MSHJMOMBWVXAIN-HNNXBMFYSA-N 0 1 393.329 3.383 20 0 GGADMN CCc1c(NC(=O)C[S@@](=O)CC)[nH]nc1-c1ccc(Br)cc1 ZINC000294819716 565230619 /nfs/dbraw/zinc/23/06/19/565230619.db2.gz GRUBVRXKJQUFAE-QFIPXVFZSA-N 0 1 384.299 3.109 20 0 GGADMN CCc1c(NC(=O)C[S@](=O)CC)[nH]nc1-c1ccc(Br)cc1 ZINC000294819715 565230752 /nfs/dbraw/zinc/23/07/52/565230752.db2.gz GRUBVRXKJQUFAE-JOCHJYFZSA-N 0 1 384.299 3.109 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3c(Br)cnn3C)[nH]c2c1 ZINC000294843226 565232110 /nfs/dbraw/zinc/23/21/10/565232110.db2.gz MTSQRBSDCXKKLR-AWEZNQCLSA-N 0 1 388.269 3.345 20 0 GGADMN C[C@@](O)(CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc(Cl)c1 ZINC000372335971 565232257 /nfs/dbraw/zinc/23/22/57/565232257.db2.gz BZOQTDNPSOQQHF-FUHWJXTLSA-N 0 1 383.872 3.195 20 0 GGADMN C[C@@](O)(CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1Cl ZINC000372339906 565232910 /nfs/dbraw/zinc/23/29/10/565232910.db2.gz XGQHVPZSMLLDNT-SJLPKXTDSA-N 0 1 383.872 3.195 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)C1(c2ccccc2Br)CCCCC1 ZINC000294895738 565234462 /nfs/dbraw/zinc/23/44/62/565234462.db2.gz IXDZREXRXKXRPO-UHFFFAOYSA-N 0 1 377.286 3.428 20 0 GGADMN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cncc(Cl)c1 ZINC000271042852 565235959 /nfs/dbraw/zinc/23/59/59/565235959.db2.gz JQNLZCJHWCYFSB-OAHLLOKOSA-N 0 1 378.841 3.264 20 0 GGADMN O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCN(C[C@H]2CCOC2)CC1 ZINC000186035457 565236074 /nfs/dbraw/zinc/23/60/74/565236074.db2.gz ZTILONSOIZOVQE-GFCCVEGCSA-N 0 1 376.806 3.153 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCc1cc2cc(Br)ccc2[nH]1 ZINC000186054384 565237128 /nfs/dbraw/zinc/23/71/28/565237128.db2.gz DBGMKBWSAKLGRK-UHFFFAOYSA-N 0 1 376.258 3.078 20 0 GGADMN O=C(c1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1)N1CCCCC1 ZINC000271055543 565237417 /nfs/dbraw/zinc/23/74/17/565237417.db2.gz SWYMAIZRJUUFDJ-UHFFFAOYSA-N 0 1 379.869 3.162 20 0 GGADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1)C(C)C ZINC000271062859 565237509 /nfs/dbraw/zinc/23/75/09/565237509.db2.gz YSSPOGGFQFYROW-UHFFFAOYSA-N 0 1 381.885 3.293 20 0 GGADMN C[C@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cscn1 ZINC000271123060 565238768 /nfs/dbraw/zinc/23/87/68/565238768.db2.gz JYJYCLJEUUPSSC-ZDUSSCGKSA-N 0 1 385.580 3.273 20 0 GGADMN CC(C)c1nc(CNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)n[nH]1 ZINC000294994284 565239545 /nfs/dbraw/zinc/23/95/45/565239545.db2.gz QTUQXTOKDDYVDN-UHFFFAOYSA-N 0 1 379.251 3.393 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2cscn2)c1 ZINC000271160968 565239883 /nfs/dbraw/zinc/23/98/83/565239883.db2.gz SCAJCTXKJJWWIP-LLVKDONJSA-N 0 1 398.326 3.385 20 0 GGADMN CN(Cc1ccc(CSC(F)F)o1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295027365 565240609 /nfs/dbraw/zinc/24/06/09/565240609.db2.gz CVHQBUXFOAQQGQ-LLVKDONJSA-N 0 1 380.457 3.053 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186116137 565240634 /nfs/dbraw/zinc/24/06/34/565240634.db2.gz ACJSOQLRDJXSNP-UHFFFAOYSA-N 0 1 380.836 3.467 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)c(C)c1 ZINC000186103771 565240665 /nfs/dbraw/zinc/24/06/65/565240665.db2.gz VYFLLUOTEGOBGE-UHFFFAOYSA-N 0 1 387.910 3.470 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccncc2Br)N(C)C)c1 ZINC000271168150 565240974 /nfs/dbraw/zinc/24/09/74/565240974.db2.gz LGFHEMIXCDPTBI-INIZCTEOSA-N 0 1 393.285 3.277 20 0 GGADMN COC[C@@]1(C)CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000295041418 565242013 /nfs/dbraw/zinc/24/20/13/565242013.db2.gz DWHGGARQGOYGJZ-SFHVURJKSA-N 0 1 383.330 3.144 20 0 GGADMN O=S(=O)(NCCC[C@H]1CCCCO1)c1cc(F)c(Br)cc1F ZINC000186162211 565243941 /nfs/dbraw/zinc/24/39/41/565243941.db2.gz YDVIUVYMPCZBFO-SNVBAGLBSA-N 0 1 398.269 3.355 20 0 GGADMN CN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000186171539 565245021 /nfs/dbraw/zinc/24/50/21/565245021.db2.gz ISHPKPNDSJFHCO-UHFFFAOYSA-N 0 1 386.945 3.234 20 0 GGADMN CSCc1cnc(CN2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)s1 ZINC000295112027 565245725 /nfs/dbraw/zinc/24/57/25/565245725.db2.gz WEXQGQHHZLDFPJ-INIZCTEOSA-N 0 1 378.567 3.136 20 0 GGADMN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000271318595 565247643 /nfs/dbraw/zinc/24/76/43/565247643.db2.gz NWNUXSDLBKMCOU-SECBINFHSA-N 0 1 382.201 3.027 20 0 GGADMN C[C@H](NC(=O)CN1CCC(c2nc[nH]n2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000372682856 565248817 /nfs/dbraw/zinc/24/88/17/565248817.db2.gz TVTFSCRIIYRGQM-NSHDSACASA-N 0 1 382.295 3.168 20 0 GGADMN CO[C@H](C)c1nc(CN2CCCN(CCc3csc(C)n3)CC2)cs1 ZINC000271347098 565249514 /nfs/dbraw/zinc/24/95/14/565249514.db2.gz YCUMNYHGJARZGI-CQSZACIVSA-N 0 1 380.583 3.366 20 0 GGADMN O=C(CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCCC1 ZINC000372766094 565252296 /nfs/dbraw/zinc/25/22/96/565252296.db2.gz LDRGACYDIULUSN-UHFFFAOYSA-N 0 1 384.307 3.266 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)s1 ZINC000271409934 565252996 /nfs/dbraw/zinc/25/29/96/565252996.db2.gz SUISMIRHDUHWSR-CYBMUJFWSA-N 0 1 382.551 3.036 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186303656 565253131 /nfs/dbraw/zinc/25/31/31/565253131.db2.gz BIAARUNWAZZPEM-NSHDSACASA-N 0 1 378.826 3.116 20 0 GGADMN Cc1nc(C)c(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000186297160 565253572 /nfs/dbraw/zinc/25/35/72/565253572.db2.gz QPHTXLXYIURHNT-AWEZNQCLSA-N 0 1 379.551 3.493 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000271469710 565254576 /nfs/dbraw/zinc/25/45/76/565254576.db2.gz YWHYAIMCRWFIJG-UHFFFAOYSA-N 0 1 384.437 3.293 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cncc(Cl)c2C)cc1 ZINC000295256173 565255335 /nfs/dbraw/zinc/25/53/35/565255335.db2.gz XLYOHQHPLTXFGW-UHFFFAOYSA-N 0 1 388.898 3.028 20 0 GGADMN CC1=CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000271506176 565255389 /nfs/dbraw/zinc/25/53/89/565255389.db2.gz XYTRJBJSXLURBV-UHFFFAOYSA-N 0 1 394.212 3.337 20 0 GGADMN CCc1nc(CNC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n[nH]1 ZINC000295260829 565255475 /nfs/dbraw/zinc/25/54/75/565255475.db2.gz GCRXDTRUNILHEA-SNVBAGLBSA-N 0 1 375.885 3.366 20 0 GGADMN O=C1Nc2ccccc2CC[C@H]1N1CCC(n2cc(Br)cn2)CC1 ZINC000372812421 565255704 /nfs/dbraw/zinc/25/57/04/565255704.db2.gz PXHPOBOYSPNSGH-QGZVFWFLSA-N 0 1 389.297 3.236 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000271507455 565256003 /nfs/dbraw/zinc/25/60/03/565256003.db2.gz IKEXUBOYJMIMCB-NWDGAFQWSA-N 0 1 379.400 3.493 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000295331264 565259751 /nfs/dbraw/zinc/25/97/51/565259751.db2.gz BQJRRSYRNIBCDK-SNVBAGLBSA-N 0 1 383.265 3.325 20 0 GGADMN CSc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1C ZINC000271613776 565261294 /nfs/dbraw/zinc/26/12/94/565261294.db2.gz LEUJSKJJGQDJOR-UHFFFAOYSA-N 0 1 379.507 3.082 20 0 GGADMN Cc1cc(C2CCN(CC(=O)Nc3ccc(Br)cc3F)CC2)[nH]n1 ZINC000271615563 565261730 /nfs/dbraw/zinc/26/17/30/565261730.db2.gz KVAOFCKNLAIUQV-UHFFFAOYSA-N 0 1 395.276 3.438 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN[C@@H](CCO)c1ccccc1 ZINC000271679879 565263513 /nfs/dbraw/zinc/26/35/13/565263513.db2.gz OUMYNYIAAGTTNM-KRWDZBQOSA-N 0 1 377.282 3.409 20 0 GGADMN CCOC(=O)c1cc(CN[C@@H](CO)c2ccc(Br)cc2)[nH]c1C ZINC000295401228 565263890 /nfs/dbraw/zinc/26/38/90/565263890.db2.gz MCVYPNMFSUGPKP-INIZCTEOSA-N 0 1 381.270 3.086 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Cl)c(F)cc2Br)n[nH]1 ZINC000295429597 565265507 /nfs/dbraw/zinc/26/55/07/565265507.db2.gz FPZCOODBJJWJSN-ZCFIWIBFSA-N 0 1 375.629 3.413 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000271766631 565266904 /nfs/dbraw/zinc/26/69/04/565266904.db2.gz DLFWHORPAUGJMH-VDBVYFBLSA-N 0 1 380.897 3.375 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)CN[C@H](CCO)c1ccccc1 ZINC000271762778 565267190 /nfs/dbraw/zinc/26/71/90/565267190.db2.gz MOXBYOGBUXLNOT-MRXNPFEDSA-N 0 1 397.338 3.182 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(Cl)c(Br)cc2F)n[nH]1 ZINC000295459878 565267408 /nfs/dbraw/zinc/26/74/08/565267408.db2.gz HSIIYMLRCPWABO-LURJTMIESA-N 0 1 375.629 3.413 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1Cl ZINC000271766632 565267557 /nfs/dbraw/zinc/26/75/57/565267557.db2.gz DLFWHORPAUGJMH-XELLLNAOSA-N 0 1 380.897 3.375 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000271766576 565267791 /nfs/dbraw/zinc/26/77/91/565267791.db2.gz DHGKEVDTSUOXSP-JXQWACKNSA-N 0 1 378.925 3.433 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1C(F)(F)F ZINC000295467389 565268273 /nfs/dbraw/zinc/26/82/73/565268273.db2.gz PTQNRBMUIKIDPN-UHFFFAOYSA-N 0 1 389.175 3.393 20 0 GGADMN Cn1ccnc1[C@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100557 565269529 /nfs/dbraw/zinc/26/95/29/565269529.db2.gz SKQNLUUHTOOEEQ-BBRMVZONSA-N 0 1 382.277 3.235 20 0 GGADMN C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC000271844293 565269979 /nfs/dbraw/zinc/26/99/79/565269979.db2.gz LGUAIFASFWZRFR-JTQLQIEISA-N 0 1 376.375 3.343 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccccc1Br)[C@@H](c1ccccc1)N(C)C ZINC000186588333 565270652 /nfs/dbraw/zinc/27/06/52/565270652.db2.gz IZEAFXCUZPUATE-DYVFJYSZSA-N 0 1 397.338 3.419 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccccc1Br)[C@H](c1ccccc1)N(C)C ZINC000186588368 565271046 /nfs/dbraw/zinc/27/10/46/565271046.db2.gz IZEAFXCUZPUATE-CXAGYDPISA-N 0 1 397.338 3.419 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)C1(c2ccc(Br)cc2)CCC1 ZINC000295529947 565271738 /nfs/dbraw/zinc/27/17/38/565271738.db2.gz VQVHOGRWNSEKAF-UHFFFAOYSA-N 0 1 375.270 3.183 20 0 GGADMN C[C@H](CC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000295548131 565272402 /nfs/dbraw/zinc/27/24/02/565272402.db2.gz XLASJIUGLPPUBF-SECBINFHSA-N 0 1 381.249 3.394 20 0 GGADMN Cc1cc(Br)ccc1SCC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295543187 565272789 /nfs/dbraw/zinc/27/27/89/565272789.db2.gz WYYFKAUBJAFHIG-UHFFFAOYSA-N 0 1 381.299 3.162 20 0 GGADMN COC[C@@]1(C)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000295559419 565273305 /nfs/dbraw/zinc/27/33/05/565273305.db2.gz UEGFMCRZFJPGRF-KRWDZBQOSA-N 0 1 378.270 3.338 20 0 GGADMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000271981809 565273322 /nfs/dbraw/zinc/27/33/22/565273322.db2.gz DVPPQVUYXOVVGX-HWPZZCPQSA-N 0 1 398.257 3.304 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000295571243 565273464 /nfs/dbraw/zinc/27/34/64/565273464.db2.gz ZQKGWIUFOITAAM-UHFFFAOYSA-N 0 1 377.235 3.105 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625786 565273668 /nfs/dbraw/zinc/27/36/68/565273668.db2.gz OCSJVKVEUIZCME-PXAZEXFGSA-N 0 1 392.276 3.286 20 0 GGADMN CC(C)c1nc(CNC(=O)C2(c3cc(F)cc(Br)c3)CC2)n[nH]1 ZINC000295561104 565273710 /nfs/dbraw/zinc/27/37/10/565273710.db2.gz YQTVZOPCLBACLA-UHFFFAOYSA-N 0 1 381.249 3.178 20 0 GGADMN COC[C@]1(C)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000295559426 565273766 /nfs/dbraw/zinc/27/37/66/565273766.db2.gz UEGFMCRZFJPGRF-QGZVFWFLSA-N 0 1 378.270 3.338 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625820 565273871 /nfs/dbraw/zinc/27/38/71/565273871.db2.gz OCSJVKVEUIZCME-SJKOYZFVSA-N 0 1 392.276 3.286 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc3sc(N4CCCC4)nc3s2)n[nH]1 ZINC000295559412 565273854 /nfs/dbraw/zinc/27/38/54/565273854.db2.gz YMKRDZYWKBGJCJ-UHFFFAOYSA-N 0 1 376.511 3.130 20 0 GGADMN Cc1nc(C(C)C)sc1[C@H](C)NC[C@](O)(c1nccn1C)C(F)(F)F ZINC000272025196 565274558 /nfs/dbraw/zinc/27/45/58/565274558.db2.gz DLJVXJRBKFGKAJ-BONVTDFDSA-N 0 1 376.448 3.409 20 0 GGADMN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)s1 ZINC000272000583 565274627 /nfs/dbraw/zinc/27/46/27/565274627.db2.gz AHXFHRBZZHEWPO-PRHODGIISA-N 0 1 398.248 3.345 20 0 GGADMN Cc1nc(C(C)C)sc1[C@@H](C)NC[C@](O)(c1nccn1C)C(F)(F)F ZINC000272025195 565274823 /nfs/dbraw/zinc/27/48/23/565274823.db2.gz DLJVXJRBKFGKAJ-BMIGLBTASA-N 0 1 376.448 3.409 20 0 GGADMN CCOC(=O)C1([S@](C)=O)CCN(CCCSCc2ccccc2)CC1 ZINC000295584301 565274903 /nfs/dbraw/zinc/27/49/03/565274903.db2.gz MDRWBLSBBWAGIQ-VWLOTQADSA-N 0 1 383.579 3.086 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000186669579 565275994 /nfs/dbraw/zinc/27/59/94/565275994.db2.gz JEEGQUUMLANVSS-OAHLLOKOSA-N 0 1 384.929 3.220 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000186669109 565276049 /nfs/dbraw/zinc/27/60/49/565276049.db2.gz QHCXFLMASZZVQF-GWJCSSMESA-N 0 1 385.291 3.404 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1Br ZINC000186669038 565276226 /nfs/dbraw/zinc/27/62/26/565276226.db2.gz ZPQCOBIAHJOJOQ-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000272079250 565276908 /nfs/dbraw/zinc/27/69/08/565276908.db2.gz KNPFNISEKYIYIH-RTHLEPHNSA-N 0 1 397.228 3.410 20 0 GGADMN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186671009 565277031 /nfs/dbraw/zinc/27/70/31/565277031.db2.gz KCAJYZIGTWXGCN-ZIAGYGMSSA-N 0 1 384.929 3.218 20 0 GGADMN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)s1 ZINC000272095241 565277145 /nfs/dbraw/zinc/27/71/45/565277145.db2.gz FKNQWZOFLHESAL-NSHDSACASA-N 0 1 386.461 3.030 20 0 GGADMN COCCC[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000272084445 565277325 /nfs/dbraw/zinc/27/73/25/565277325.db2.gz GSWPECZTGUBXSV-AWEZNQCLSA-N 0 1 398.345 3.202 20 0 GGADMN C[C@H]1C[C@@H](NC[C@](O)(c2nccn2C)C(F)(F)F)c2ccsc2S1 ZINC000272131204 565278528 /nfs/dbraw/zinc/27/85/28/565278528.db2.gz RQANSOHDPWSMPM-PXWWUCIGSA-N 0 1 377.457 3.447 20 0 GGADMN C[C@H](NC1(c2cccc(Br)c2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000272168582 565279405 /nfs/dbraw/zinc/27/94/05/565279405.db2.gz PGZFMIJXKSHRHJ-LBPRGKRZSA-N 0 1 395.322 3.436 20 0 GGADMN C[C@H]1CN(CCCC(=O)c2ccc(Br)cc2)CCN1CC(C)(C)O ZINC000295655488 565279340 /nfs/dbraw/zinc/27/93/40/565279340.db2.gz DNDMQDYKTKBNRZ-HNNXBMFYSA-N 0 1 397.357 3.189 20 0 GGADMN CC(C)c1nc(CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000295699600 565282312 /nfs/dbraw/zinc/28/23/12/565282312.db2.gz KDVRKOBSROESOV-UHFFFAOYSA-N 0 1 379.251 3.351 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCN(C)C1CC1 ZINC000186763884 565284224 /nfs/dbraw/zinc/28/42/24/565284224.db2.gz FLEYAJXIFZKAQQ-ZDUSSCGKSA-N 0 1 381.314 3.211 20 0 GGADMN COc1cc(CCNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)ccc1O ZINC000186804176 565286370 /nfs/dbraw/zinc/28/63/70/565286370.db2.gz OJLJJGNRDBCJHQ-UHFFFAOYSA-N 0 1 377.853 3.478 20 0 GGADMN CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)CCSc2ccccc2)CC1 ZINC000295779539 565287201 /nfs/dbraw/zinc/28/72/01/565287201.db2.gz ZAIIQDRZRRWCCJ-IVCQMTBJSA-N 0 1 383.579 3.334 20 0 GGADMN CC(C)c1nc(CNC(=O)CCSc2ccccc2Br)n[nH]1 ZINC000295793737 565287338 /nfs/dbraw/zinc/28/73/38/565287338.db2.gz ROORNHBGKKHUOG-UHFFFAOYSA-N 0 1 383.315 3.489 20 0 GGADMN CC(C)[C@@H](O)CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272475088 565289224 /nfs/dbraw/zinc/28/92/24/565289224.db2.gz SELCEVPYSWTNLH-RBUKOAKNSA-N 0 1 381.925 3.439 20 0 GGADMN Cc1sc(CNC(=O)N[C@H](C)c2nnc[nH]2)nc1-c1ccc(Cl)cc1 ZINC000272487438 565289419 /nfs/dbraw/zinc/28/94/19/565289419.db2.gz SNMGUJDGPCROIT-SECBINFHSA-N 0 1 376.873 3.450 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)n1 ZINC000272517291 565289876 /nfs/dbraw/zinc/28/98/76/565289876.db2.gz XSPVUEJIDLAOGE-UHFFFAOYSA-N 0 1 377.754 3.072 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1cccc(I)c1 ZINC000161655239 565290098 /nfs/dbraw/zinc/29/00/98/565290098.db2.gz QRRAJYKDMQFIEI-UHFFFAOYSA-N 0 1 379.244 3.462 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCSC2(CCOCC2)C1 ZINC000186843896 565290171 /nfs/dbraw/zinc/29/01/71/565290171.db2.gz OPZDTLUPDZSVRG-CVEARBPZSA-N 0 1 380.579 3.398 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000373530227 565290294 /nfs/dbraw/zinc/29/02/94/565290294.db2.gz ADKKHMWWHKCYRN-GOSISDBHSA-N 0 1 377.227 3.435 20 0 GGADMN Cc1cnc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)s1 ZINC000295889034 565291836 /nfs/dbraw/zinc/29/18/36/565291836.db2.gz YKWGKEFSFQXEPM-UHFFFAOYSA-N 0 1 385.580 3.020 20 0 GGADMN Cc1cc(I)cc(C(=O)NCc2n[nH]c(C(C)C)n2)c1C ZINC000295892540 565291984 /nfs/dbraw/zinc/29/19/84/565291984.db2.gz YSIYQXRYUWUZFV-UHFFFAOYSA-N 0 1 398.248 3.080 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1cccc(C)c1)C(C)(C)C ZINC000161756932 565292372 /nfs/dbraw/zinc/29/23/72/565292372.db2.gz XKOXCMUHKWYQSB-CQSZACIVSA-N 0 1 382.507 3.304 20 0 GGADMN CS(=O)(=O)CC1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000295910227 565292643 /nfs/dbraw/zinc/29/26/43/565292643.db2.gz YJUQJQYOJUCTJP-UHFFFAOYSA-N 0 1 380.293 3.032 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCCc1ccccc1Br ZINC000186898816 565293941 /nfs/dbraw/zinc/29/39/41/565293941.db2.gz FEDOEXWZSLECCL-HNNXBMFYSA-N 0 1 397.357 3.075 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000295984628 565295897 /nfs/dbraw/zinc/29/58/97/565295897.db2.gz NJINUHPVLCBYPX-INIZCTEOSA-N 0 1 379.913 3.153 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000186938283 565296159 /nfs/dbraw/zinc/29/61/59/565296159.db2.gz JWMHMNXSCCSCHL-CQSZACIVSA-N 0 1 391.313 3.375 20 0 GGADMN NC(=O)[C@@H](NCCCN1CCc2ccccc21)c1cccc(Br)c1 ZINC000161886546 565296542 /nfs/dbraw/zinc/29/65/42/565296542.db2.gz ZXPFSBPTUSQCAP-SFHVURJKSA-N 0 1 388.309 3.018 20 0 GGADMN CS(=O)(=O)c1cccc(Br)c1NC1CCN(C2CCC2)CC1 ZINC000295984899 565296582 /nfs/dbraw/zinc/29/65/82/565296582.db2.gz LJEDSCNDNJWCSM-UHFFFAOYSA-N 0 1 387.343 3.281 20 0 GGADMN CC(C)C[C@@H](CN[C@@H](C)c1ncc(Br)cc1F)N1CCOCC1 ZINC000186959270 565297610 /nfs/dbraw/zinc/29/76/10/565297610.db2.gz HGLMGPRQNXVGJK-ZFWWWQNUSA-N 0 1 388.325 3.381 20 0 GGADMN CC(C)C[C@@H](CN[C@H](C)c1ncc(Br)cc1F)N1CCOCC1 ZINC000186959301 565297625 /nfs/dbraw/zinc/29/76/25/565297625.db2.gz HGLMGPRQNXVGJK-HIFRSBDPSA-N 0 1 388.325 3.381 20 0 GGADMN Cc1csc([C@@H](NC(=O)CSc2n[nH]c(=S)s2)C(F)(F)F)n1 ZINC000296020613 565298662 /nfs/dbraw/zinc/29/86/62/565298662.db2.gz UTSMDJMAJXTXPT-ZCFIWIBFSA-N 0 1 386.471 3.104 20 0 GGADMN NC(=O)[C@H](NCC1(c2ccc(F)cc2)CC1)c1cccc(Br)c1 ZINC000161942816 565298612 /nfs/dbraw/zinc/29/86/12/565298612.db2.gz HNWWYELSJJEWJN-MRXNPFEDSA-N 0 1 377.257 3.436 20 0 GGADMN NC(=O)[C@@H](NCC1(c2ccc(F)cc2)CC1)c1cccc(Br)c1 ZINC000161942673 565298824 /nfs/dbraw/zinc/29/88/24/565298824.db2.gz HNWWYELSJJEWJN-INIZCTEOSA-N 0 1 377.257 3.436 20 0 GGADMN CC[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(Cl)c1F ZINC000161942356 565299189 /nfs/dbraw/zinc/29/91/89/565299189.db2.gz INCAYLCWZIFDIH-RISCZKNCSA-N 0 1 391.917 3.416 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccccc3Br)o2)[C@H]2CCO[C@H]21 ZINC000296056472 565299662 /nfs/dbraw/zinc/29/96/62/565299662.db2.gz FZJDKJTWLNCTQS-KCPJHIHWSA-N 0 1 378.270 3.402 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN(C)CCc1cnccn1 ZINC000272845507 565299839 /nfs/dbraw/zinc/29/98/39/565299839.db2.gz RYAPWFWNMLLBSP-UHFFFAOYSA-N 0 1 394.313 3.329 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cc(Br)cs3)no2)[C@H]2CCO[C@H]21 ZINC000296056657 565300029 /nfs/dbraw/zinc/30/00/29/565300029.db2.gz GBOOZPFSMBVKQH-OASPWFOLSA-N 0 1 384.299 3.464 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000186983079 565300100 /nfs/dbraw/zinc/30/01/00/565300100.db2.gz WDZMPODUNFAFRT-BPLDGKMQSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000186985264 565300119 /nfs/dbraw/zinc/30/01/19/565300119.db2.gz MBPXOPWGLQBZPE-NSHDSACASA-N 0 1 378.822 3.276 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cc(Br)cs3)no2)[C@@H]2CCO[C@@H]21 ZINC000296056655 565300322 /nfs/dbraw/zinc/30/03/22/565300322.db2.gz GBOOZPFSMBVKQH-BIMULSAOSA-N 0 1 384.299 3.464 20 0 GGADMN C[C@@H](NC(=O)NCCN1CCCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000186989484 565300803 /nfs/dbraw/zinc/30/08/03/565300803.db2.gz JPDHZQWXCWTBCH-LLVKDONJSA-N 0 1 378.275 3.215 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272945983 565303478 /nfs/dbraw/zinc/30/34/78/565303478.db2.gz LVAREXSDBLOQNK-OIRASMEMSA-N 0 1 387.473 3.271 20 0 GGADMN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000162094708 565303899 /nfs/dbraw/zinc/30/38/99/565303899.db2.gz TVULDVXZOGSAGC-LLVKDONJSA-N 0 1 394.269 3.251 20 0 GGADMN Brc1ccc(-c2nnc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCC4)o2)o1 ZINC000296163442 565305516 /nfs/dbraw/zinc/30/55/16/565305516.db2.gz KQQLAEBWPUXIIK-OWYVNGRQSA-N 0 1 380.242 3.139 20 0 GGADMN COc1cccc(OCCCN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162142401 565306051 /nfs/dbraw/zinc/30/60/51/565306051.db2.gz RCJIAWOCSOAWIP-QGZVFWFLSA-N 0 1 393.281 3.043 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cn1C ZINC000187055589 565306144 /nfs/dbraw/zinc/30/61/44/565306144.db2.gz UGURMBSPMQLXJC-UHFFFAOYSA-N 0 1 396.774 3.285 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1Cl ZINC000296183933 565306401 /nfs/dbraw/zinc/30/64/01/565306401.db2.gz LUFUQVTWNGFSPI-LLVKDONJSA-N 0 1 375.281 3.336 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1cccc(F)c1 ZINC000162171360 565307003 /nfs/dbraw/zinc/30/70/03/565307003.db2.gz YHHHVNLEZBCZBE-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1ccccc1F ZINC000162174177 565307326 /nfs/dbraw/zinc/30/73/26/565307326.db2.gz SFNDISQHWRDOCE-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000187077117 565307436 /nfs/dbraw/zinc/30/74/36/565307436.db2.gz ZZLUCGJRCLTTMG-UHFFFAOYSA-N 0 1 375.475 3.244 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1ccc(F)cc1 ZINC000162174556 565307683 /nfs/dbraw/zinc/30/76/83/565307683.db2.gz DAHSKGONXLQYJD-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1ccccc1O[C@@H](C)CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162172959 565307814 /nfs/dbraw/zinc/30/78/14/565307814.db2.gz YDUXPGIXIQYQPD-GUYCJALGSA-N 0 1 377.282 3.341 20 0 GGADMN Cc1ccc(O[C@@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162173491 565307898 /nfs/dbraw/zinc/30/78/98/565307898.db2.gz OHGAFFDFHMFLNQ-GUYCJALGSA-N 0 1 377.282 3.341 20 0 GGADMN COc1ccccc1O[C@H](C)CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162176766 565307971 /nfs/dbraw/zinc/30/79/71/565307971.db2.gz BYEBOKONYPDHNM-PXAZEXFGSA-N 0 1 393.281 3.041 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCOc1ccc(OC)cc1 ZINC000187104219 565309474 /nfs/dbraw/zinc/30/94/74/565309474.db2.gz RRZDPEIMUMJTSI-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc2c(c1)OCO2 ZINC000187101988 565309553 /nfs/dbraw/zinc/30/95/53/565309553.db2.gz QVVJMHWTUNUIPW-UHFFFAOYSA-N 0 1 381.881 3.195 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCCN1CCCCCC1=O ZINC000187096387 565309573 /nfs/dbraw/zinc/30/95/73/565309573.db2.gz NTNRMTMTORTELF-UHFFFAOYSA-N 0 1 386.945 3.016 20 0 GGADMN COC1CCN(CCNC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000162209070 565309639 /nfs/dbraw/zinc/30/96/39/565309639.db2.gz MNDRSLSKEARKGB-UHFFFAOYSA-N 0 1 391.309 3.443 20 0 GGADMN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1COc2ccccc21 ZINC000162307722 565312525 /nfs/dbraw/zinc/31/25/25/565312525.db2.gz JNOAXCJHVRTWPR-KCTSRDHCSA-N 0 1 375.266 3.130 20 0 GGADMN COc1c(CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)c(C)nn1C ZINC000162314705 565312964 /nfs/dbraw/zinc/31/29/64/565312964.db2.gz FEGXIOKLWZVVSA-LLVKDONJSA-N 0 1 395.301 3.007 20 0 GGADMN COc1c(Br)cccc1CNCCCS(=O)(=O)c1ccccc1 ZINC000187167050 565313520 /nfs/dbraw/zinc/31/35/20/565313520.db2.gz INPWDBCXVPQICK-UHFFFAOYSA-N 0 1 398.322 3.411 20 0 GGADMN C[C@@H](C(=O)NC1CCCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000374011122 565314937 /nfs/dbraw/zinc/31/49/37/565314937.db2.gz VINUNQPECHPTOA-ZDUSSCGKSA-N 0 1 383.334 3.120 20 0 GGADMN COC(=O)c1oc(CN2CCC(n3cc(Br)cn3)CC2)cc1C ZINC000374011129 565315071 /nfs/dbraw/zinc/31/50/71/565315071.db2.gz VPDJEHOKULOGJB-UHFFFAOYSA-N 0 1 382.258 3.171 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273297397 565315277 /nfs/dbraw/zinc/31/52/77/565315277.db2.gz AKYNPDGXUZVTFM-NEPJUHHUSA-N 0 1 385.511 3.095 20 0 GGADMN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000374013123 565315870 /nfs/dbraw/zinc/31/58/70/565315870.db2.gz ZFNQUBIASGIHKO-KBPBESRZSA-N 0 1 383.334 3.072 20 0 GGADMN COc1c(CN[C@H](C)CC(=O)Nc2cccc(Br)c2)c(C)nn1C ZINC000162404236 565316234 /nfs/dbraw/zinc/31/62/34/565316234.db2.gz YFVRZLKCYSYIRW-LLVKDONJSA-N 0 1 395.301 3.007 20 0 GGADMN COc1cc(OC)cc([C@H](O)CN[C@H](C)c2ncc(Br)cc2F)c1 ZINC000187221533 565316931 /nfs/dbraw/zinc/31/69/31/565316931.db2.gz KNQPQOFKOKUQIV-QLJPJBMISA-N 0 1 399.260 3.385 20 0 GGADMN COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187221479 565317178 /nfs/dbraw/zinc/31/71/78/565317178.db2.gz KNQPQOFKOKUQIV-QFYYESIMSA-N 0 1 399.260 3.385 20 0 GGADMN COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2ncc(Br)cc2F)c1 ZINC000187221499 565317293 /nfs/dbraw/zinc/31/72/93/565317293.db2.gz KNQPQOFKOKUQIV-HWPZZCPQSA-N 0 1 399.260 3.385 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccsc2Cl)CN1Cc1ccccc1 ZINC000187285770 565320429 /nfs/dbraw/zinc/32/04/29/565320429.db2.gz ZLLQNBODIHYFJF-TZMCWYRMSA-N 0 1 377.897 3.119 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H]1CCN(CC2CCCC2)C1 ZINC000187271577 565320548 /nfs/dbraw/zinc/32/05/48/565320548.db2.gz JIHIRSFWVJBNAW-KRWDZBQOSA-N 0 1 384.973 3.488 20 0 GGADMN O=C(C1=Cc2cc(Br)ccc2OC1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296521808 565321466 /nfs/dbraw/zinc/32/14/66/565321466.db2.gz VTDBYEKFIABGKH-CQSZACIVSA-N 0 1 389.253 3.097 20 0 GGADMN COc1cc(Br)c(NC(=O)NCc2n[nH]c(C(C)C)n2)cc1OC ZINC000296527574 565321726 /nfs/dbraw/zinc/32/17/26/565321726.db2.gz PLRPAKLDFIEXAF-UHFFFAOYSA-N 0 1 398.261 3.030 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@]1(O)CCc2ccccc21 ZINC000187335359 565324371 /nfs/dbraw/zinc/32/43/71/565324371.db2.gz DIMNLMUJAMHWKZ-LJQANCHMSA-N 0 1 379.909 3.057 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000273540465 565324863 /nfs/dbraw/zinc/32/48/63/565324863.db2.gz VIEOWNPGDJTYMC-ZDUSSCGKSA-N 0 1 386.926 3.484 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cc4c(c(Br)c3)OCO4)CC2)n[nH]1 ZINC000273556889 565326190 /nfs/dbraw/zinc/32/61/90/565326190.db2.gz BCNTUJWERSINRU-UHFFFAOYSA-N 0 1 392.253 3.229 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)[nH]1 ZINC000187352645 565326474 /nfs/dbraw/zinc/32/64/74/565326474.db2.gz WSUIMJOFYPSHTA-UHFFFAOYSA-N 0 1 394.913 3.330 20 0 GGADMN Cc1cc(C2CCN(C(=O)COc3ccc(F)cc3Br)CC2)n[nH]1 ZINC000273594910 565327833 /nfs/dbraw/zinc/32/78/33/565327833.db2.gz ICPLZUQBCWSITR-UHFFFAOYSA-N 0 1 396.260 3.405 20 0 GGADMN COc1c(C)cc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)cc1C ZINC000296664619 565328913 /nfs/dbraw/zinc/32/89/13/565328913.db2.gz FVEBMKSEMGWSSJ-UHFFFAOYSA-N 0 1 382.507 3.463 20 0 GGADMN CC(C)(C)OC(=O)NCCc1noc(-c2ccc(Br)cc2O)n1 ZINC000273674930 565329956 /nfs/dbraw/zinc/32/99/56/565329956.db2.gz HNAIWUACLZEHNP-UHFFFAOYSA-N 0 1 384.230 3.272 20 0 GGADMN CN1CCC2(CCCN2S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000374293633 565330475 /nfs/dbraw/zinc/33/04/75/565330475.db2.gz IAOUYWUAWDTGNF-UHFFFAOYSA-N 0 1 380.407 3.093 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cc4sc(N(C)C)nc4s3)CC2)n[nH]1 ZINC000273684214 565331153 /nfs/dbraw/zinc/33/11/53/565331153.db2.gz ZQJXLQGVCRVIMS-UHFFFAOYSA-N 0 1 375.523 3.475 20 0 GGADMN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@@H](N2CC=CC2)C1 ZINC000296726482 565331861 /nfs/dbraw/zinc/33/18/61/565331861.db2.gz KUNUHBKLHRFNHR-CYBMUJFWSA-N 0 1 377.286 3.200 20 0 GGADMN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@H](N2CC=CC2)C1 ZINC000296726485 565332384 /nfs/dbraw/zinc/33/23/84/565332384.db2.gz KUNUHBKLHRFNHR-ZDUSSCGKSA-N 0 1 377.286 3.200 20 0 GGADMN CS(=O)(=O)c1cccc(CN[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000296744772 565333227 /nfs/dbraw/zinc/33/32/27/565333227.db2.gz KEAWKFDXJVAFEZ-KRWDZBQOSA-N 0 1 395.322 3.489 20 0 GGADMN CS(=O)(=O)c1cccc(CN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000296744801 565333506 /nfs/dbraw/zinc/33/35/06/565333506.db2.gz KEAWKFDXJVAFEZ-QGZVFWFLSA-N 0 1 395.322 3.489 20 0 GGADMN COCCn1cc(CN[C@H]2CCCOc3c(Br)cccc32)cn1 ZINC000374376644 565335457 /nfs/dbraw/zinc/33/54/57/565335457.db2.gz FWAFXIHORMTNCJ-INIZCTEOSA-N 0 1 380.286 3.296 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(C)cc(Br)c2)CCN1C[C@@H](C)O ZINC000187488600 565335846 /nfs/dbraw/zinc/33/58/46/565335846.db2.gz AHUCDEXDGMYLGG-CZUORRHYSA-N 0 1 384.318 3.066 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1(C)C ZINC000187484882 565335989 /nfs/dbraw/zinc/33/59/89/565335989.db2.gz LGPINQUYBCCLPV-PXAZEXFGSA-N 0 1 380.901 3.330 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374391829 565336667 /nfs/dbraw/zinc/33/66/67/565336667.db2.gz JTEZPPULQPTNHD-KGLIPLIRSA-N 0 1 390.281 3.338 20 0 GGADMN Brc1ccc(-c2noc(CN3CC[C@@H]([C@H]4CCOC4)C3)n2)s1 ZINC000374414219 565337948 /nfs/dbraw/zinc/33/79/48/565337948.db2.gz ZIZRQNNBFTVUKD-MNOVXSKESA-N 0 1 384.299 3.419 20 0 GGADMN Brc1cccc(Cc2noc(CN3CC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000374397453 565338004 /nfs/dbraw/zinc/33/80/04/565338004.db2.gz CITAFNPMHDRYMO-CABCVRRESA-N 0 1 392.297 3.281 20 0 GGADMN COc1ccc(Sc2ccc(NC(=O)[C@H]3CNCCO3)cc2Cl)cc1 ZINC000187530791 565339462 /nfs/dbraw/zinc/33/94/62/565339462.db2.gz WORLCOLTHHIBEY-MRXNPFEDSA-N 0 1 378.881 3.427 20 0 GGADMN CCN1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)CC1 ZINC000163213464 565340105 /nfs/dbraw/zinc/34/01/05/565340105.db2.gz SMJKWCRUQDEYRP-UHFFFAOYSA-N 0 1 383.945 3.333 20 0 GGADMN CCOc1c(Br)cc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1OC ZINC000374459999 565341023 /nfs/dbraw/zinc/34/10/23/565341023.db2.gz KGWQTGJZWPVFNY-ZDUSSCGKSA-N 0 1 394.269 3.387 20 0 GGADMN CC(=O)N1CCc2sc(C(=O)CSc3nc(C(C)(C)C)n[nH]3)cc2C1 ZINC000163260153 565341165 /nfs/dbraw/zinc/34/11/65/565341165.db2.gz HVLDYOUURWXTLP-UHFFFAOYSA-N 0 1 378.523 3.043 20 0 GGADMN CC(=O)N1CCc2sc(C(=O)CSc3n[nH]c(C(C)(C)C)n3)cc2C1 ZINC000163260153 565341169 /nfs/dbraw/zinc/34/11/69/565341169.db2.gz HVLDYOUURWXTLP-UHFFFAOYSA-N 0 1 378.523 3.043 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374483527 565341512 /nfs/dbraw/zinc/34/15/12/565341512.db2.gz SZZAFFIYUKTVME-RNCFNFMXSA-N 0 1 381.263 3.029 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000163313134 565342123 /nfs/dbraw/zinc/34/21/23/565342123.db2.gz HDLJWUYMHBGFNR-ZIAGYGMSSA-N 0 1 390.281 3.480 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H]2OCCC[C@H]2C1 ZINC000163313343 565342577 /nfs/dbraw/zinc/34/25/77/565342577.db2.gz HDLJWUYMHBGFNR-UONOGXRCSA-N 0 1 390.281 3.480 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000163327021 565343438 /nfs/dbraw/zinc/34/34/38/565343438.db2.gz WTTLOKRQYRFEQZ-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)c(Br)c1 ZINC000374525510 565343595 /nfs/dbraw/zinc/34/35/95/565343595.db2.gz CFPZHBFKMYMLSZ-BDJLRTHQSA-N 0 1 385.277 3.019 20 0 GGADMN COc1c(Br)cccc1CNc1ccc(N2CCN(C)CC2)nc1 ZINC000187597749 565344390 /nfs/dbraw/zinc/34/43/90/565344390.db2.gz MFSVMSQLNCHUSW-UHFFFAOYSA-N 0 1 391.313 3.217 20 0 GGADMN CC[C@]1(CO)CCCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000187611731 565345532 /nfs/dbraw/zinc/34/55/32/565345532.db2.gz XHEWQIIMURBZIF-KSSFIOAISA-N 0 1 383.330 3.111 20 0 GGADMN O=C1C[C@@H](c2noc(-c3ccc(Br)cc3O)n2)CN1CC1CCC1 ZINC000273917595 565346322 /nfs/dbraw/zinc/34/63/22/565346322.db2.gz LBDFIJZJKZVXHD-LLVKDONJSA-N 0 1 392.253 3.321 20 0 GGADMN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000296930034 565346723 /nfs/dbraw/zinc/34/67/23/565346723.db2.gz NPSVRMOWQKHZOK-MRXNPFEDSA-N 0 1 396.285 3.110 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1cccc2cc(Br)cnc21 ZINC000296959663 565347691 /nfs/dbraw/zinc/34/76/91/565347691.db2.gz HXESEXQCTMETNZ-UHFFFAOYSA-N 0 1 387.241 3.315 20 0 GGADMN CO[C@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000374666555 565349264 /nfs/dbraw/zinc/34/92/64/565349264.db2.gz VBTDEIFIRLNKMW-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000273969539 565349870 /nfs/dbraw/zinc/34/98/70/565349870.db2.gz QYUYBQGFTYGISR-UHFFFAOYSA-N 0 1 381.885 3.142 20 0 GGADMN CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CSC ZINC000187732609 565351363 /nfs/dbraw/zinc/35/13/63/565351363.db2.gz BRRILMREUIYCDG-OLZOCXBDSA-N 0 1 378.460 3.468 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(Br)ccc2N2CCCC2)n[nH]1 ZINC000297032922 565351968 /nfs/dbraw/zinc/35/19/68/565351968.db2.gz JYXUJORCCQVAHU-UHFFFAOYSA-N 0 1 393.289 3.052 20 0 GGADMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H](O)CSC)CC2 ZINC000187741014 565352112 /nfs/dbraw/zinc/35/21/12/565352112.db2.gz PHAZASJPYYIOLC-IFXJQAMLSA-N 0 1 379.547 3.437 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccsc1 ZINC000187746548 565352161 /nfs/dbraw/zinc/35/21/61/565352161.db2.gz RRJMTMJLUIEMSO-LBPRGKRZSA-N 0 1 394.250 3.031 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000374723465 565352338 /nfs/dbraw/zinc/35/23/38/565352338.db2.gz OTZTZXMGDRQOMP-UHFFFAOYSA-N 0 1 393.285 3.017 20 0 GGADMN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)nn1-c1ccc(Cl)c(Cl)c1 ZINC000163897032 565352451 /nfs/dbraw/zinc/35/24/51/565352451.db2.gz VRYFITOVQUVZDG-BETUJISGSA-N 0 1 379.291 3.454 20 0 GGADMN NC(=O)Nc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000187755968 565352462 /nfs/dbraw/zinc/35/24/62/565352462.db2.gz GLZFLKKYUYEIQW-UHFFFAOYSA-N 0 1 375.841 3.212 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccsc1Cl ZINC000187776532 565354561 /nfs/dbraw/zinc/35/45/61/565354561.db2.gz GRZWELMJBMHYJB-OAHLLOKOSA-N 0 1 377.897 3.293 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccsc1Cl ZINC000187776551 565354662 /nfs/dbraw/zinc/35/46/62/565354662.db2.gz GRZWELMJBMHYJB-HNNXBMFYSA-N 0 1 377.897 3.293 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccsc1Cl ZINC000187776744 565354848 /nfs/dbraw/zinc/35/48/48/565354848.db2.gz HYAWRUOTGNMZHA-GFCCVEGCSA-N 0 1 383.926 3.355 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)NCc1nccn1CCc1ccccc1 ZINC000164280004 565357249 /nfs/dbraw/zinc/35/72/49/565357249.db2.gz FIBBGORMPGNGMK-OAHLLOKOSA-N 0 1 388.313 3.263 20 0 GGADMN O=C(NCCCOC(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000374898801 565359376 /nfs/dbraw/zinc/35/93/76/565359376.db2.gz PXPKOQSAHAHPHS-UHFFFAOYSA-N 0 1 375.847 3.233 20 0 GGADMN COC(=O)CCCN1CCC(Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 ZINC000274197665 565360379 /nfs/dbraw/zinc/36/03/79/565360379.db2.gz JUXWEYZLAKHYTG-VWLOTQADSA-N 0 1 386.945 3.048 20 0 GGADMN Cc1nc(NC(=O)N(C)Cc2nnc[nH]2)sc1Cc1ccccc1Cl ZINC000297180973 565361123 /nfs/dbraw/zinc/36/11/23/565361123.db2.gz OCHGYDYNZKTDGM-UHFFFAOYSA-N 0 1 376.873 3.478 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)NCc1ccc(Br)cc1Cl ZINC000297196495 565361203 /nfs/dbraw/zinc/36/12/03/565361203.db2.gz LEJDXPDBLURSRO-UHFFFAOYSA-N 0 1 384.665 3.097 20 0 GGADMN CCc1nc(CNC(=O)N(Cc2csc(Br)c2)C2CC2)n[nH]1 ZINC000297219021 565362056 /nfs/dbraw/zinc/36/20/56/565362056.db2.gz FBSVKAFLCBRLDE-UHFFFAOYSA-N 0 1 384.303 3.065 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCCc2ccc(Br)cc2Cl)n[nH]1 ZINC000297212551 565362442 /nfs/dbraw/zinc/36/24/42/565362442.db2.gz DQJQCDDLBRIJFZ-MRVPVSSYSA-N 0 1 386.681 3.132 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297230625 565362932 /nfs/dbraw/zinc/36/29/32/565362932.db2.gz RKLJYBDLSBMUGR-OAHLLOKOSA-N 0 1 397.338 3.378 20 0 GGADMN CCc1nc(NC(=O)c2ccc(Br)c(O)c2)sc1C(=O)OC ZINC000164746118 565363268 /nfs/dbraw/zinc/36/32/68/565363268.db2.gz KPQMHUSYJRTSJV-UHFFFAOYSA-N 0 1 385.239 3.213 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000297280921 565365502 /nfs/dbraw/zinc/36/55/02/565365502.db2.gz LCSLTRVUEOALNK-UHFFFAOYSA-N 0 1 392.301 3.221 20 0 GGADMN O=C(NCCN1CCCOCC1)N(Cc1cccs1)Cc1cccs1 ZINC000297269221 565365648 /nfs/dbraw/zinc/36/56/48/565365648.db2.gz ZPLQULDYBNQRFG-UHFFFAOYSA-N 0 1 379.551 3.244 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCS[C@H](C(C)C)C3)n2)cc1 ZINC000165020362 565366681 /nfs/dbraw/zinc/36/66/81/565366681.db2.gz YZJVFMPLSBCSTN-HNNXBMFYSA-N 0 1 376.551 3.472 20 0 GGADMN C[C@@H](CS(C)(=O)=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000187961521 565366628 /nfs/dbraw/zinc/36/66/28/565366628.db2.gz IIBGTZKJGDNGEV-BONVTDFDSA-N 0 1 378.307 3.452 20 0 GGADMN Brc1c(CN[C@H]2CCO[C@]3(CCSC3)C2)nc2ccccn21 ZINC000375069069 565366947 /nfs/dbraw/zinc/36/69/47/565366947.db2.gz HAJPDIQIQBFILV-BLLLJJGKSA-N 0 1 382.327 3.241 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000165007469 565367031 /nfs/dbraw/zinc/36/70/31/565367031.db2.gz KAOLVFCUJVQVCM-UHFFFAOYSA-N 0 1 392.301 3.193 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc3n2CCCC3)n1 ZINC000375072193 565367095 /nfs/dbraw/zinc/36/70/95/565367095.db2.gz YEYQJBGTBLUXEF-UHFFFAOYSA-N 0 1 376.873 3.354 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2CNC(=O)CSc1n[nH]c(=S)s1 ZINC000274345957 565367504 /nfs/dbraw/zinc/36/75/04/565367504.db2.gz JJPYEGHFTPLTDR-NSHDSACASA-N 0 1 381.548 3.164 20 0 GGADMN CC[C@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000165154401 565367857 /nfs/dbraw/zinc/36/78/57/565367857.db2.gz KRUNYWNMCLECRE-RISCZKNCSA-N 0 1 376.831 3.229 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000297322518 565368008 /nfs/dbraw/zinc/36/80/08/565368008.db2.gz IZOHJOUPOZDORB-CYBMUJFWSA-N 0 1 396.264 3.315 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000375111280 565369354 /nfs/dbraw/zinc/36/93/54/565369354.db2.gz OWVCLSKUEOMFQT-LLVKDONJSA-N 0 1 387.939 3.172 20 0 GGADMN O=C(Cc1csc(-c2cccc(Br)c2)n1)NOC[C@H]1CCOC1 ZINC000188004930 565369749 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CC1([C@@H]2CCCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C2)OCCO1 ZINC000188082298 565376676 /nfs/dbraw/zinc/37/66/76/565376676.db2.gz WLMNFCKNBCIJCQ-LLVKDONJSA-N 0 1 381.885 3.407 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000274680634 565376837 /nfs/dbraw/zinc/37/68/37/565376837.db2.gz ZUBWBFVMHLSWKA-UHFFFAOYSA-N 0 1 377.286 3.354 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)C[C@H](C)N1C ZINC000297577572 565377919 /nfs/dbraw/zinc/37/79/19/565377919.db2.gz CENFRPYHKPKGMT-BFQNTYOBSA-N 0 1 381.318 3.029 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCC1(CCOCc2ccccc2)CC1 ZINC000274700497 565377901 /nfs/dbraw/zinc/37/79/01/565377901.db2.gz NMSJODHYDIZARI-UHFFFAOYSA-N 0 1 395.575 3.422 20 0 GGADMN CC1(C2CCN(C[C@H](O)c3ccc(F)c(Br)c3)CC2)OCCO1 ZINC000274751499 565379102 /nfs/dbraw/zinc/37/91/02/565379102.db2.gz ATBFDKBHAHYFLY-INIZCTEOSA-N 0 1 388.277 3.097 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000375271898 565379632 /nfs/dbraw/zinc/37/96/32/565379632.db2.gz HXTLIYHEJXAXSD-UHFFFAOYSA-N 0 1 381.263 3.370 20 0 GGADMN CCc1cnc(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)o1 ZINC000274743980 565379755 /nfs/dbraw/zinc/37/97/55/565379755.db2.gz WGGLGHPMHPMYLX-UHFFFAOYSA-N 0 1 397.653 3.271 20 0 GGADMN COc1c(Br)cccc1CNCc1ccc(CS(C)(=O)=O)cc1 ZINC000274777129 565380372 /nfs/dbraw/zinc/38/03/72/565380372.db2.gz JVEFYMUTKYETQM-UHFFFAOYSA-N 0 1 398.322 3.292 20 0 GGADMN CN1C(=O)CCc2cc(CN[C@H](CO)c3ccc(Br)cc3)ccc21 ZINC000274775723 565380559 /nfs/dbraw/zinc/38/05/59/565380559.db2.gz JMDZLEMCNHGLGR-QGZVFWFLSA-N 0 1 389.293 3.181 20 0 GGADMN COc1c(Br)cc(Br)cc1CN[C@H](C)C[S@](C)=O ZINC000168148458 565380892 /nfs/dbraw/zinc/38/08/92/565380892.db2.gz NJKAOHXQMUKZPV-NTCNTBNZSA-N 0 1 399.148 3.077 20 0 GGADMN COc1c(Br)cc(Br)cc1CN[C@@H](C)C[S@](C)=O ZINC000168148345 565381270 /nfs/dbraw/zinc/38/12/70/565381270.db2.gz NJKAOHXQMUKZPV-DCXZOGHSSA-N 0 1 399.148 3.077 20 0 GGADMN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000188143024 565382516 /nfs/dbraw/zinc/38/25/16/565382516.db2.gz QFXGZILASGSMRW-GOSISDBHSA-N 0 1 382.291 3.031 20 0 GGADMN CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000188143051 565382632 /nfs/dbraw/zinc/38/26/32/565382632.db2.gz QFXGZILASGSMRW-SFHVURJKSA-N 0 1 382.291 3.031 20 0 GGADMN CN(CC(=O)OC(C)(C)C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000170628088 565382985 /nfs/dbraw/zinc/38/29/85/565382985.db2.gz XIAIDPWUKGDZPS-UHFFFAOYSA-N 0 1 394.269 3.253 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1Br ZINC000297775380 565385249 /nfs/dbraw/zinc/38/52/49/565385249.db2.gz AAILZEZAVPFTGO-OCCSQVGLSA-N 0 1 395.219 3.165 20 0 GGADMN O=C(Cc1ccc(F)cc1Br)NCc1nc2ccc(F)cc2[nH]1 ZINC000188180731 565385464 /nfs/dbraw/zinc/38/54/64/565385464.db2.gz SCLQJTRTNYILLN-UHFFFAOYSA-N 0 1 380.192 3.463 20 0 GGADMN COC(=O)c1cc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)oc1C ZINC000188192896 565387076 /nfs/dbraw/zinc/38/70/76/565387076.db2.gz YZDQWYCNWGZRDP-UHFFFAOYSA-N 0 1 379.825 3.410 20 0 GGADMN CCOCCNC(=O)CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188192360 565387446 /nfs/dbraw/zinc/38/74/46/565387446.db2.gz BTKYQACWEYAMOY-INIZCTEOSA-N 0 1 387.293 3.172 20 0 GGADMN COc1cc(Br)cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000297820873 565387623 /nfs/dbraw/zinc/38/76/23/565387623.db2.gz QNMUXDHTLOVSPD-KRWDZBQOSA-N 0 1 382.302 3.407 20 0 GGADMN CCOc1ccc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1Br ZINC000297858924 565390256 /nfs/dbraw/zinc/39/02/56/565390256.db2.gz PFHODEKQNXJXKT-UHFFFAOYSA-N 0 1 380.246 3.165 20 0 GGADMN CN(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000170756967 565390975 /nfs/dbraw/zinc/39/09/75/565390975.db2.gz PRMFFIWJEFFCDX-QGZVFWFLSA-N 0 1 377.941 3.179 20 0 GGADMN COc1ccc([C@H](C)NC(=O)NCc2n[nH]c(C(C)C)n2)cc1Br ZINC000297921684 565392535 /nfs/dbraw/zinc/39/25/35/565392535.db2.gz UIIODHCGQFCWAY-JTQLQIEISA-N 0 1 396.289 3.260 20 0 GGADMN CC(C)(C)OCc1cc(CNS(=O)(=O)c2c(Cl)ccnc2Cl)no1 ZINC000275102538 565392718 /nfs/dbraw/zinc/39/27/18/565392718.db2.gz LTHRUQZQIQYKNA-UHFFFAOYSA-N 0 1 394.280 3.170 20 0 GGADMN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000275086205 565393450 /nfs/dbraw/zinc/39/34/50/565393450.db2.gz GKYXUQFLRPHSIK-JTQLQIEISA-N 0 1 375.441 3.372 20 0 GGADMN Cc1csc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1I ZINC000188297433 565393521 /nfs/dbraw/zinc/39/35/21/565393521.db2.gz IPIHGEJIHVXFJP-ZJUUUORDSA-N 0 1 390.290 3.016 20 0 GGADMN CC[C@H](NCC(=O)N1CCOCC1)c1ccc(Br)cc1Cl ZINC000188307021 565394901 /nfs/dbraw/zinc/39/49/01/565394901.db2.gz LLVLKVQYIYMYHX-AWEZNQCLSA-N 0 1 375.694 3.002 20 0 GGADMN CCc1nc(CNC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000297992990 565394985 /nfs/dbraw/zinc/39/49/85/565394985.db2.gz NMFFMFQTJGTMNU-CYBMUJFWSA-N 0 1 386.283 3.251 20 0 GGADMN CCN(Cc1cccc(Br)c1)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297991741 565395350 /nfs/dbraw/zinc/39/53/50/565395350.db2.gz CKTKQILDITYNDF-UHFFFAOYSA-N 0 1 380.290 3.422 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](C)Cc2ccccc2Br)n[nH]1 ZINC000298018233 565396355 /nfs/dbraw/zinc/39/63/55/565396355.db2.gz RFUYGPYUDUWRLT-LLVKDONJSA-N 0 1 380.290 3.121 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000298011349 565396399 /nfs/dbraw/zinc/39/63/99/565396399.db2.gz DWKVKHSNBUKYKA-LKFCYVNXSA-N 0 1 386.283 3.156 20 0 GGADMN CC(C)C(=O)NC1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000275186071 565396700 /nfs/dbraw/zinc/39/67/00/565396700.db2.gz XNXMCCJVCSPIHE-UHFFFAOYSA-N 0 1 380.901 3.168 20 0 GGADMN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000275190192 565396877 /nfs/dbraw/zinc/39/68/77/565396877.db2.gz WRJMNIZYJZOGLM-MNOVXSKESA-N 0 1 380.901 3.168 20 0 GGADMN CO[C@@H]1CCCC[C@@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000275205032 565397003 /nfs/dbraw/zinc/39/70/03/565397003.db2.gz IPPGAKGZGJKUMW-DLBZAZTESA-N 0 1 380.535 3.261 20 0 GGADMN CN(C)c1noc([C@H]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n1 ZINC000375648641 565398733 /nfs/dbraw/zinc/39/87/33/565398733.db2.gz LIXDLOVOHXKGTN-VIFPVBQESA-N 0 1 385.251 3.168 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1nnc[nH]1 ZINC000188398177 565398995 /nfs/dbraw/zinc/39/89/95/565398995.db2.gz QQOCIIOPOCFYSP-CMPLNLGQSA-N 0 1 383.283 3.141 20 0 GGADMN CCc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)n[nH]1 ZINC000298105439 565399337 /nfs/dbraw/zinc/39/93/37/565399337.db2.gz MPLMHVAJFZOOSD-UHFFFAOYSA-N 0 1 389.264 3.191 20 0 GGADMN CCc1n[nH]c(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)n1 ZINC000298105439 565399341 /nfs/dbraw/zinc/39/93/41/565399341.db2.gz MPLMHVAJFZOOSD-UHFFFAOYSA-N 0 1 389.264 3.191 20 0 GGADMN C[C@H](Sc1ccc(Cl)nn1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298108249 565399521 /nfs/dbraw/zinc/39/95/21/565399521.db2.gz WYYPTXWVBLDJRO-ZFWWWQNUSA-N 0 1 376.913 3.001 20 0 GGADMN C[C@H](Sc1ccc(Cl)nn1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298108242 565399652 /nfs/dbraw/zinc/39/96/52/565399652.db2.gz WYYPTXWVBLDJRO-DZGCQCFKSA-N 0 1 376.913 3.001 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCN[C@H](C)C1 ZINC000188418000 565399948 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CN(Cc1nnc[nH]1)C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000276433727 565449987 /nfs/dbraw/zinc/44/99/87/565449987.db2.gz QDOZBMWPAGJDOG-UHFFFAOYSA-N 0 1 394.151 3.130 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1 ZINC000189179357 565450620 /nfs/dbraw/zinc/45/06/20/565450620.db2.gz IRYGAESTYDAQEK-ZDUSSCGKSA-N 0 1 398.322 3.066 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CSc1nncs1 ZINC000299509136 565452871 /nfs/dbraw/zinc/45/28/71/565452871.db2.gz AFZQEPNKPJHGOY-UHFFFAOYSA-N 0 1 380.564 3.126 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(CN3CCSCC3)c2)s1 ZINC000299504657 565453018 /nfs/dbraw/zinc/45/30/18/565453018.db2.gz MLVSFIUZRHSISM-UHFFFAOYSA-N 0 1 380.564 3.126 20 0 GGADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000376751159 565453050 /nfs/dbraw/zinc/45/30/50/565453050.db2.gz OCFUUIFIXDRFMD-FRIZHTMISA-N 0 1 386.293 3.050 20 0 GGADMN CSc1n[nH]c(NC(=O)COc2ccc(C3SCCCS3)cc2)n1 ZINC000299523469 565453575 /nfs/dbraw/zinc/45/35/75/565453575.db2.gz LQKCAHNLNWBPNS-UHFFFAOYSA-N 0 1 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Cc1ccccc1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000172274880 565475471 /nfs/dbraw/zinc/47/54/71/565475471.db2.gz IAKSJMUIOKMRDY-UHFFFAOYSA-N 0 1 395.278 3.443 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)cc1 ZINC000172274920 565475485 /nfs/dbraw/zinc/47/54/85/565475485.db2.gz JNTCVAIQAJXMOO-UHFFFAOYSA-N 0 1 395.278 3.443 20 0 GGADMN COc1ccc(Br)cc1CN(C)C[C@H](O)COCc1ccccc1 ZINC000301313072 565478375 /nfs/dbraw/zinc/47/83/75/565478375.db2.gz CBGKSJILHMDKSI-SFHVURJKSA-N 0 1 394.309 3.467 20 0 GGADMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000277138557 565478844 /nfs/dbraw/zinc/47/88/44/565478844.db2.gz PAXHPXIATGLIFR-SPSFWMDKSA-N 0 1 385.938 3.332 20 0 GGADMN C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000277138552 565479014 /nfs/dbraw/zinc/47/90/14/565479014.db2.gz PAXHPXIATGLIFR-MYODQAERSA-N 0 1 385.938 3.332 20 0 GGADMN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(Br)o2)c1OC ZINC000277207781 565482362 /nfs/dbraw/zinc/48/23/62/565482362.db2.gz GZHXPHPNHKEANB-GFCCVEGCSA-N 0 1 384.226 3.365 20 0 GGADMN COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(Br)c1 ZINC000377546498 565485315 /nfs/dbraw/zinc/48/53/15/565485315.db2.gz AOLCELFHNSXOTI-MAUKXSAKSA-N 0 1 394.313 3.279 20 0 GGADMN NC(=O)C[C@@H]1CCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000377582659 565486639 /nfs/dbraw/zinc/48/66/39/565486639.db2.gz JROAXMCFPZWPQW-NSHDSACASA-N 0 1 380.311 3.270 20 0 GGADMN O=C([O-])[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000277278420 565486868 /nfs/dbraw/zinc/48/68/68/565486868.db2.gz LVHMCUKVYLUZKG-AWEZNQCLSA-N 0 1 375.694 3.131 20 0 GGADMN CC(C)[C@]1(CO)CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000377659318 565491724 /nfs/dbraw/zinc/49/17/24/565491724.db2.gz MNWYNDBJMNZJNM-QGZVFWFLSA-N 0 1 380.286 3.340 20 0 GGADMN COCCCOC1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000189854258 565491853 /nfs/dbraw/zinc/49/18/53/565491853.db2.gz AQMZYCJPWAPDEA-UHFFFAOYSA-N 0 1 383.901 3.449 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCOCC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189873760 565493313 /nfs/dbraw/zinc/49/33/13/565493313.db2.gz YTPSPHKFGBYBJF-SJCJKPOMSA-N 0 1 378.822 3.260 20 0 GGADMN CN(CCN1CCN(c2ccccc2)CC1)Cc1ccc(Br)cn1 ZINC000172596933 565494137 /nfs/dbraw/zinc/49/41/37/565494137.db2.gz IHUHVZICRBNCJJ-UHFFFAOYSA-N 0 1 389.341 3.098 20 0 GGADMN Fc1cc2nc(N3CC[C@@H](CN4CCOCC4)C3)ccc2cc1Br ZINC000301544539 565494800 /nfs/dbraw/zinc/49/48/00/565494800.db2.gz KTMYSFAUTKRIDT-ZDUSSCGKSA-N 0 1 394.288 3.295 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189898136 565496109 /nfs/dbraw/zinc/49/61/09/565496109.db2.gz ALIHSMZXZJTYRP-STQMWFEESA-N 0 1 388.339 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189949003 565497907 /nfs/dbraw/zinc/49/79/07/565497907.db2.gz ZWKJJYQLFYFFLW-STQMWFEESA-N 0 1 388.339 3.097 20 0 GGADMN Brc1cccc2ccc(N3CC[C@@H](CN4CCOCC4)C3)nc12 ZINC000301601523 565498447 /nfs/dbraw/zinc/49/84/47/565498447.db2.gz JFYLFBFYMWOPDQ-AWEZNQCLSA-N 0 1 376.298 3.156 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2c(Cl)cccc2Cl)C1(C)C ZINC000189977001 565501051 /nfs/dbraw/zinc/50/10/51/565501051.db2.gz CPFOYMRRCGSQPS-DYVFJYSZSA-N 0 1 375.296 3.088 20 0 GGADMN NC(=O)C[C@H]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000377840966 565501528 /nfs/dbraw/zinc/50/15/28/565501528.db2.gz XLPMQWIDJCTNJK-SNVBAGLBSA-N 0 1 381.192 3.045 20 0 GGADMN CCN(CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000172743598 565502721 /nfs/dbraw/zinc/50/27/21/565502721.db2.gz RONWBFUMKSKXIJ-OAHLLOKOSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1Br ZINC000190037559 565503414 /nfs/dbraw/zinc/50/34/14/565503414.db2.gz ONEALVJNHNJVON-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H](c3nccn3C)C2)c(OC)c1 ZINC000377887289 565504076 /nfs/dbraw/zinc/50/40/76/565504076.db2.gz DXXNAZFCHRZAHH-GFCCVEGCSA-N 0 1 380.286 3.189 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1Br ZINC000190087032 565507502 /nfs/dbraw/zinc/50/75/02/565507502.db2.gz ZGECECPCPWUWGE-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1Br ZINC000190087073 565507755 /nfs/dbraw/zinc/50/77/55/565507755.db2.gz NJIFPOFFCXZYEY-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190131392 565509377 /nfs/dbraw/zinc/50/93/77/565509377.db2.gz KTPHRBABUZSGAQ-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190131392 565509380 /nfs/dbraw/zinc/50/93/80/565509380.db2.gz KTPHRBABUZSGAQ-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000190131445 565509394 /nfs/dbraw/zinc/50/93/94/565509394.db2.gz ARYHCVACUDPXTI-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190131445 565509400 /nfs/dbraw/zinc/50/94/00/565509400.db2.gz ARYHCVACUDPXTI-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190134317 565510449 /nfs/dbraw/zinc/51/04/49/565510449.db2.gz GFOGUTFVZBLFTH-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN CC(C)Oc1cc(Br)ccc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000378077673 565511452 /nfs/dbraw/zinc/51/14/52/565511452.db2.gz NENZVNPYNPAQLA-UHFFFAOYSA-N 0 1 393.285 3.374 20 0 GGADMN Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000277709660 565515126 /nfs/dbraw/zinc/51/51/26/565515126.db2.gz RGDSITKYGOKMTM-UHFFFAOYSA-N 0 1 383.832 3.332 20 0 GGADMN CN1CC[C@@H](CNc2cnn(C)c(=O)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301891785 565516936 /nfs/dbraw/zinc/51/69/36/565516936.db2.gz RPUQEHJXGRIITK-ZBEGNZNMSA-N 0 1 385.270 3.331 20 0 GGADMN O=C(NCc1ccccc1OCCO)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000190231782 565517549 /nfs/dbraw/zinc/51/75/49/565517549.db2.gz ZGURGBRYDJYSCT-UHFFFAOYSA-N 0 1 377.853 3.093 20 0 GGADMN O=C(Nc1cc(Br)c(F)cc1F)[C@H]1CCCN1C1CCOCC1 ZINC000190244958 565517701 /nfs/dbraw/zinc/51/77/01/565517701.db2.gz NXUNXWVKRBKTGR-OAHLLOKOSA-N 0 1 389.240 3.309 20 0 GGADMN O=C(COc1ccc(Br)cc1F)Nc1ccccc1-c1nnc[nH]1 ZINC000378260700 565518621 /nfs/dbraw/zinc/51/86/21/565518621.db2.gz NJBUZMFGCCHQTF-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN CCOCCOCCN(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000190254531 565519180 /nfs/dbraw/zinc/51/91/80/565519180.db2.gz YZGWQXQJOPZYSL-UHFFFAOYSA-N 0 1 394.313 3.391 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1C(N)=O ZINC000190279980 565519902 /nfs/dbraw/zinc/51/99/02/565519902.db2.gz MVMSIWSFBKMYIO-UHFFFAOYSA-N 0 1 377.224 3.341 20 0 GGADMN Nc1cc(N)nc(SCc2ncc(-c3ccc(Br)cc3)o2)n1 ZINC000173024843 565520053 /nfs/dbraw/zinc/52/00/53/565520053.db2.gz OLUOTQVKUBWHOZ-UHFFFAOYSA-N 0 1 378.255 3.351 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000173023617 565520314 /nfs/dbraw/zinc/52/03/14/565520314.db2.gz PCKDWKDIDHMTAR-JTQLQIEISA-N 0 1 382.835 3.121 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CC[N@H+](C2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000173023617 565520316 /nfs/dbraw/zinc/52/03/16/565520316.db2.gz PCKDWKDIDHMTAR-JTQLQIEISA-N 0 1 382.835 3.121 20 0 GGADMN Cc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000173018429 565520467 /nfs/dbraw/zinc/52/04/67/565520467.db2.gz HKTHQLOAYNBQGO-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Nc1nc(NCC2(c3cccc(Br)c3)CC2)cc(-n2cccn2)n1 ZINC000301971735 565522094 /nfs/dbraw/zinc/52/20/94/565522094.db2.gz GNSKJZQXRGKCGF-UHFFFAOYSA-N 0 1 385.269 3.151 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)Nc1cc(-n2cccn2)nc(N)n1 ZINC000301989290 565523247 /nfs/dbraw/zinc/52/32/47/565523247.db2.gz WYAKIAODVRBTQM-SNVBAGLBSA-N 0 1 391.248 3.189 20 0 GGADMN Cc1c2cc(Br)ccc2oc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000190363779 565525128 /nfs/dbraw/zinc/52/51/28/565525128.db2.gz IYCKTRXCAIJNII-UHFFFAOYSA-N 0 1 375.226 3.431 20 0 GGADMN Cc1cc(SCC(=O)NC2(c3nnc[nH]3)CCC2)c(C)cc1Br ZINC000190363403 565525364 /nfs/dbraw/zinc/52/53/64/565525364.db2.gz LFUAIIPMTOEFBZ-UHFFFAOYSA-N 0 1 395.326 3.472 20 0 GGADMN CCOc1ccc(NC(=O)CCSc2nnc(C)[nH]2)cc1Br ZINC000190362288 565525613 /nfs/dbraw/zinc/52/56/13/565525613.db2.gz RABUGCAREVJJLH-UHFFFAOYSA-N 0 1 385.287 3.395 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)NC3(c4nnc[nH]4)CCC3)cc2s1 ZINC000190361824 565525701 /nfs/dbraw/zinc/52/57/01/565525701.db2.gz GLQBVYOHFBFDCW-UHFFFAOYSA-N 0 1 376.511 3.131 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000173092727 565527113 /nfs/dbraw/zinc/52/71/13/565527113.db2.gz IKBKXJXRINDMPU-DYEKYZERSA-N 0 1 381.263 3.124 20 0 GGADMN CC[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(Br)c1 ZINC000378453315 565527763 /nfs/dbraw/zinc/52/77/63/565527763.db2.gz NIRXVKKLXBCBLY-IRXDYDNUSA-N 0 1 399.304 3.409 20 0 GGADMN O=S1(=O)CCC(CN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000378442718 565527888 /nfs/dbraw/zinc/52/78/88/565527888.db2.gz ORQIHUJQFGLTPT-UHFFFAOYSA-N 0 1 391.364 3.330 20 0 GGADMN CC(C)[C@H](CNc1ccnc2cc(Br)cnc21)N1CCOCC1 ZINC000302109697 565530539 /nfs/dbraw/zinc/53/05/39/565530539.db2.gz OWYHHSRNXWFFND-INIZCTEOSA-N 0 1 379.302 3.161 20 0 GGADMN C[C@@H]1CSCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000190419170 565530811 /nfs/dbraw/zinc/53/08/11/565530811.db2.gz WPWOCSDCJVPCFA-NSHDSACASA-N 0 1 377.373 3.154 20 0 GGADMN C[C@H]1CSCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000190419150 565531129 /nfs/dbraw/zinc/53/11/29/565531129.db2.gz WPWOCSDCJVPCFA-LLVKDONJSA-N 0 1 377.373 3.154 20 0 GGADMN Cc1nc(N2CCC(CCCN3CCOCC3)CC2)ccc1Br ZINC000302116060 565531792 /nfs/dbraw/zinc/53/17/92/565531792.db2.gz CAGHGHHSENLBQW-UHFFFAOYSA-N 0 1 382.346 3.481 20 0 GGADMN Clc1ccc2c(c1)nccc2SCCN1CCN([C@@H]2CCOC2)CC1 ZINC000378506169 565531916 /nfs/dbraw/zinc/53/19/16/565531916.db2.gz GVGMMPUHZIYKEY-MRXNPFEDSA-N 0 1 377.941 3.387 20 0 GGADMN CN(C)[C@H](CNC(=O)c1nc(C2CC2)ncc1Br)c1cccs1 ZINC000277983629 565532575 /nfs/dbraw/zinc/53/25/75/565532575.db2.gz YOEMGDKQLHTRFW-GFCCVEGCSA-N 0 1 395.326 3.211 20 0 GGADMN C[C@@H](NC(=O)Cc1ccccc1Br)C1(N2CCOCC2)CCCC1 ZINC000173176486 565533547 /nfs/dbraw/zinc/53/35/47/565533547.db2.gz CNAIBQVPWUYTCO-OAHLLOKOSA-N 0 1 395.341 3.141 20 0 GGADMN O=c1[nH]c(CC(F)(F)F)c(O)n1-c1ccc(N2CCSCC2)c(Cl)c1 ZINC000278002799 565533591 /nfs/dbraw/zinc/53/35/91/565533591.db2.gz FYARTBBXZWVGEF-NSHDSACASA-N 0 1 393.818 3.270 20 0 GGADMN CCCS(=O)(=O)CCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278063205 565537460 /nfs/dbraw/zinc/53/74/60/565537460.db2.gz FQBPQRHFZLSCBV-UHFFFAOYSA-N 0 1 379.444 3.126 20 0 GGADMN C[C@@H]1CN(C(=O)CNC2(c3ccc(Br)cc3)CCC2)C[C@@H](C)O1 ZINC000173242919 565539573 /nfs/dbraw/zinc/53/95/73/565539573.db2.gz KYMCWHCYYKOHHA-ZIAGYGMSSA-N 0 1 381.314 3.054 20 0 GGADMN CN(C)[C@H](CNc1ncc(Cn2cc(Br)cn2)s1)c1ccco1 ZINC000302447671 565542217 /nfs/dbraw/zinc/54/22/17/565542217.db2.gz OJTMDUYRXJOFLJ-CYBMUJFWSA-N 0 1 396.314 3.458 20 0 GGADMN C[C@@H](O)CN1CCN(c2ccc3c(Br)ccc(Cl)c3n2)CC1 ZINC000302511558 565543341 /nfs/dbraw/zinc/54/33/41/565543341.db2.gz GEBPWZNVBJDPDX-LLVKDONJSA-N 0 1 384.705 3.154 20 0 GGADMN C[C@H]1CN(C(=O)CNC2(c3cccc(Br)c3)CCC2)C[C@H](C)O1 ZINC000173283065 565544494 /nfs/dbraw/zinc/54/44/94/565544494.db2.gz GVXIWZYYMKGILT-KBPBESRZSA-N 0 1 381.314 3.054 20 0 GGADMN C[C@H](CCN1CCN(C)CC1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000302530002 565544831 /nfs/dbraw/zinc/54/48/31/565544831.db2.gz PXVMQNSNTVUVLK-CQSZACIVSA-N 0 1 379.961 3.220 20 0 GGADMN OC[C@H](NCc1ncc(Br)cc1Br)C1CCCC1 ZINC000386075304 565546487 /nfs/dbraw/zinc/54/64/87/565546487.db2.gz DGIOJPPHDUCSMG-ZDUSSCGKSA-N 0 1 378.108 3.247 20 0 GGADMN COCc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)no1 ZINC000173322682 565547820 /nfs/dbraw/zinc/54/78/20/565547820.db2.gz JACJCWDHWAJNMB-UHFFFAOYSA-N 0 1 395.238 3.354 20 0 GGADMN CN(Cc1csc(Br)c1)C[C@@H](O)COc1ccccc1C#N ZINC000386796777 565549444 /nfs/dbraw/zinc/54/94/44/565549444.db2.gz MXYIVDKQINAPEG-CQSZACIVSA-N 0 1 381.295 3.254 20 0 GGADMN CCc1ccc([C@H](COC)NS(=O)(=O)c2sccc2Br)o1 ZINC000173353671 565551227 /nfs/dbraw/zinc/55/12/27/565551227.db2.gz JCRYHTHLTUBUMN-NSHDSACASA-N 0 1 394.312 3.332 20 0 GGADMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2sccc2Br)o1 ZINC000173353657 565551393 /nfs/dbraw/zinc/55/13/93/565551393.db2.gz JCRYHTHLTUBUMN-LLVKDONJSA-N 0 1 394.312 3.332 20 0 GGADMN O=C(Nc1cnn(CC2CC2)c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000173353573 565551466 /nfs/dbraw/zinc/55/14/66/565551466.db2.gz AJZOIGCTMQODCP-UHFFFAOYSA-N 0 1 387.237 3.149 20 0 GGADMN CC(C)(C)[S@@](=O)Cc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333945 565551733 /nfs/dbraw/zinc/55/17/33/565551733.db2.gz YHJNZJFYIYQTCE-YDBLSZJJSA-N 0 1 376.400 3.111 20 0 GGADMN COc1ccc(-c2n[nH]c(Sc3cc(C)ncn3)n2)cc1Br ZINC000302714058 565551731 /nfs/dbraw/zinc/55/17/31/565551731.db2.gz XOKPIRDUSHDXRK-UHFFFAOYSA-N 0 1 378.255 3.492 20 0 GGADMN C[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CCS1 ZINC000190695782 565552699 /nfs/dbraw/zinc/55/26/99/565552699.db2.gz XRGFFFDCDSZQKI-INIZCTEOSA-N 0 1 384.973 3.378 20 0 GGADMN Cc1n[nH]c(CCNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1 ZINC000278357374 565552749 /nfs/dbraw/zinc/55/27/49/565552749.db2.gz PLGJTEOXKXELOZ-GFCCVEGCSA-N 0 1 379.745 3.051 20 0 GGADMN Cc1n[nH]c(CCNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1 ZINC000278357379 565552876 /nfs/dbraw/zinc/55/28/76/565552876.db2.gz PLGJTEOXKXELOZ-LBPRGKRZSA-N 0 1 379.745 3.051 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1Br ZINC000278369223 565554405 /nfs/dbraw/zinc/55/44/05/565554405.db2.gz GCYDGUISALYOBE-CYBMUJFWSA-N 0 1 399.304 3.222 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)[nH]1 ZINC000173411317 565556132 /nfs/dbraw/zinc/55/61/32/565556132.db2.gz JENFDPILUJXRGU-UHFFFAOYSA-N 0 1 394.913 3.330 20 0 GGADMN COCCO[C@@H]1C[C@@H](CO)CN([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000278424251 565557540 /nfs/dbraw/zinc/55/75/40/565557540.db2.gz ZRHLAMICNYMDNL-LSBZLQRGSA-N 0 1 398.341 3.172 20 0 GGADMN COCCO[C@@H]1C[C@H](CO)CN([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000278424253 565557665 /nfs/dbraw/zinc/55/76/65/565557665.db2.gz ZRHLAMICNYMDNL-POZUXBRTSA-N 0 1 398.341 3.172 20 0 GGADMN Brc1cccnc1NCCN1CCN(Cc2ccccc2)CC1 ZINC000390855708 565559050 /nfs/dbraw/zinc/55/90/50/565559050.db2.gz IOCBCBHWWAKONX-UHFFFAOYSA-N 0 1 375.314 3.074 20 0 GGADMN CCCN1Cc2cccc(NC(=O)c3c[nH]c(=O)c(Br)c3)c2C1 ZINC000173465746 565559636 /nfs/dbraw/zinc/55/96/36/565559636.db2.gz PEUHBLVCULXUHI-UHFFFAOYSA-N 0 1 376.254 3.115 20 0 GGADMN COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000390991824 565560294 /nfs/dbraw/zinc/56/02/94/565560294.db2.gz GZTZLEZVKKBPCY-KNHMANMVSA-N 0 1 384.270 3.151 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000391251742 565560350 /nfs/dbraw/zinc/56/03/50/565560350.db2.gz PITVGXBLXVDUNW-QGZVFWFLSA-N 0 1 381.314 3.084 20 0 GGADMN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000173487590 565560874 /nfs/dbraw/zinc/56/08/74/565560874.db2.gz PLGWULABMZJIRH-VIFPVBQESA-N 0 1 377.198 3.233 20 0 GGADMN CS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Cl ZINC000190830700 565561582 /nfs/dbraw/zinc/56/15/82/565561582.db2.gz QNOYJSJNOAEXAH-UHFFFAOYSA-N 0 1 380.274 3.198 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)ccc1Br ZINC000278486837 565562338 /nfs/dbraw/zinc/56/23/38/565562338.db2.gz LNNCKISFRVRUSE-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000392098902 565562717 /nfs/dbraw/zinc/56/27/17/565562717.db2.gz YDDZUZSEZQYDRS-HNNXBMFYSA-N 0 1 397.313 3.127 20 0 GGADMN Nc1c(Cl)cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000190840462 565563460 /nfs/dbraw/zinc/56/34/60/565563460.db2.gz XSDMGIQSSBHUEB-LBPRGKRZSA-N 0 1 387.311 3.152 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)cc1-n1cccn1)c1ccc2c(c1)OCO2 ZINC000190839428 565563526 /nfs/dbraw/zinc/56/35/26/565563526.db2.gz YQLXKPXOBSONBM-UHFFFAOYSA-N 0 1 377.809 3.055 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1NCc1cc(Br)cc2c1OCC2 ZINC000392371822 565564095 /nfs/dbraw/zinc/56/40/95/565564095.db2.gz MAEWRTNCBMALAP-KRWDZBQOSA-N 0 1 387.277 3.427 20 0 GGADMN OC[C@@H]1CCCC[C@@H]1NCc1c(Br)cncc1Br ZINC000394532238 565571175 /nfs/dbraw/zinc/57/11/75/565571175.db2.gz PIOOAEBGABHYMH-ZANVPECISA-N 0 1 378.108 3.247 20 0 GGADMN Cc1ncc([C@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(C)n1 ZINC000278551061 565565701 /nfs/dbraw/zinc/56/57/01/565565701.db2.gz VUIQCRJLHWJFCC-YVEFUNNKSA-N 0 1 389.297 3.312 20 0 GGADMN CC(C)(C)n1cc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000190866288 565566011 /nfs/dbraw/zinc/56/60/11/565566011.db2.gz AAKCGPRRAQTXGD-CQSZACIVSA-N 0 1 392.345 3.412 20 0 GGADMN Cc1csc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1Br ZINC000190868776 565566027 /nfs/dbraw/zinc/56/60/27/565566027.db2.gz BGWCUOQASYMGRZ-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN COc1ccc(Br)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000303143188 565566902 /nfs/dbraw/zinc/56/69/02/565566902.db2.gz VRUWSFUIVCGUNW-INIZCTEOSA-N 0 1 389.293 3.462 20 0 GGADMN O=C(NCCN1CC=CCC1)c1cc(C(F)(F)F)ccc1Br ZINC000392793046 565567534 /nfs/dbraw/zinc/56/75/34/565567534.db2.gz ILTNPBDOBBEEHZ-UHFFFAOYSA-N 0 1 377.204 3.460 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000392821393 565567564 /nfs/dbraw/zinc/56/75/64/565567564.db2.gz UDAOOOVBLHHDMW-CYBMUJFWSA-N 0 1 382.507 3.386 20 0 GGADMN O=S1(=O)CC[C@H](CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)C1 ZINC000278605203 565568211 /nfs/dbraw/zinc/56/82/11/565568211.db2.gz GDUWDBWSBNXXLK-MRVPVSSYSA-N 0 1 378.306 3.305 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(Cl)cc2N1 ZINC000303196682 565568785 /nfs/dbraw/zinc/56/87/85/565568785.db2.gz YDGYBXSOXKOPAH-UHFFFAOYSA-N 0 1 375.208 3.428 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000303352306 565569871 /nfs/dbraw/zinc/56/98/71/565569871.db2.gz RADRRKIZAJYUMU-UHFFFAOYSA-N 0 1 389.323 3.068 20 0 GGADMN C[C@@H]1C[N@H+](Cc2c(Br)cncc2Br)CC[C@@H]1C(=O)[O-] ZINC000394010805 565569929 /nfs/dbraw/zinc/56/99/29/565569929.db2.gz AJLYBJQBTGVZMO-BDAKNGLRSA-N 0 1 392.091 3.149 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2c(Br)cncc2Br)CC[C@@H]1C(=O)[O-] ZINC000394010805 565569932 /nfs/dbraw/zinc/56/99/32/565569932.db2.gz AJLYBJQBTGVZMO-BDAKNGLRSA-N 0 1 392.091 3.149 20 0 GGADMN COCCN(C)c1ccc(CNCc2ccc(OC)c(Br)c2)cn1 ZINC000190924233 565570066 /nfs/dbraw/zinc/57/00/66/565570066.db2.gz BPDANSPBKYMAGK-UHFFFAOYSA-N 0 1 394.313 3.225 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3cc(Cl)ccc3Br)C[C@H]2CO)cn1 ZINC000278643511 565570794 /nfs/dbraw/zinc/57/07/94/565570794.db2.gz JEAYBWIQOMOITF-ZFWWWQNUSA-N 0 1 384.705 3.044 20 0 GGADMN OCC1(CNCc2c(Br)cncc2Br)CCCC1 ZINC000394537219 565571261 /nfs/dbraw/zinc/57/12/61/565571261.db2.gz TTZVNUNYGSLPRE-UHFFFAOYSA-N 0 1 378.108 3.249 20 0 GGADMN O[C@H]1CCCC[C@@H]1CNCc1c(Br)cncc1Br ZINC000394514392 565571430 /nfs/dbraw/zinc/57/14/30/565571430.db2.gz CTRJMPZKIBFNLK-RNCFNFMXSA-N 0 1 378.108 3.247 20 0 GGADMN O[C@@H]1CCC[C@@H](CNCc2c(Br)cncc2Br)C1 ZINC000394512932 565571508 /nfs/dbraw/zinc/57/15/08/565571508.db2.gz CDDIWUAEOFLJSU-NXEZZACHSA-N 0 1 378.108 3.247 20 0 GGADMN CC(C)(C)n1cc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000190947136 565572424 /nfs/dbraw/zinc/57/24/24/565572424.db2.gz HFOLUWLJHNGCMI-CQSZACIVSA-N 0 1 378.318 3.164 20 0 GGADMN CC(C)(C)n1cc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000190947152 565572598 /nfs/dbraw/zinc/57/25/98/565572598.db2.gz HFOLUWLJHNGCMI-AWEZNQCLSA-N 0 1 378.318 3.164 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000303745124 565573319 /nfs/dbraw/zinc/57/33/19/565573319.db2.gz JQDSTSUMPQCCHD-MRXNPFEDSA-N 0 1 382.277 3.482 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CC[C@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375236 565573408 /nfs/dbraw/zinc/57/34/08/565573408.db2.gz PIXZVDUWWIQTTM-CJNGLKHVSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375236 565573414 /nfs/dbraw/zinc/57/34/14/565573414.db2.gz PIXZVDUWWIQTTM-CJNGLKHVSA-N 0 1 383.330 3.109 20 0 GGADMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCCN(Cc2cscn2)CC1 ZINC000278710537 565573861 /nfs/dbraw/zinc/57/38/61/565573861.db2.gz BVABPRNWZHJUJG-UHFFFAOYSA-N 0 1 375.885 3.021 20 0 GGADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1C(C)C ZINC000190979272 565574730 /nfs/dbraw/zinc/57/47/30/565574730.db2.gz PFTNSNCNZGCOHT-LBPRGKRZSA-N 0 1 387.889 3.332 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000397092255 565574869 /nfs/dbraw/zinc/57/48/69/565574869.db2.gz WOSHRCHJZHRHNP-PWSUYJOCSA-N 0 1 380.242 3.184 20 0 GGADMN C[C@@H]1OCC[C@@]1(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000278763954 565576200 /nfs/dbraw/zinc/57/62/00/565576200.db2.gz XPMGCRCUMXFMDK-MEDUHNTESA-N 0 1 383.311 3.202 20 0 GGADMN CC1(C)CCC(O)(CNCc2ncc(I)s2)CC1 ZINC000306093468 565576458 /nfs/dbraw/zinc/57/64/58/565576458.db2.gz LCERHGAKOWIFNT-UHFFFAOYSA-N 0 1 380.295 3.169 20 0 GGADMN CC(C)(C)n1cc(CN[C@H]2CCN(c3ccccc3Br)C2)nn1 ZINC000191007536 565577315 /nfs/dbraw/zinc/57/73/15/565577315.db2.gz TXMHRXWPEDCFJV-ZDUSSCGKSA-N 0 1 378.318 3.164 20 0 GGADMN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000310367569 565577341 /nfs/dbraw/zinc/57/73/41/565577341.db2.gz MPUFSDOTLCXNIH-MRXNPFEDSA-N 0 1 388.309 3.486 20 0 GGADMN FC(F)(F)CSCCNCc1ncc(I)s1 ZINC000309559307 565577619 /nfs/dbraw/zinc/57/76/19/565577619.db2.gz ITSOUYLEMBOSPA-UHFFFAOYSA-N 0 1 382.214 3.133 20 0 GGADMN C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000399841571 565578884 /nfs/dbraw/zinc/57/88/84/565578884.db2.gz CGRJNAFWWDIXHP-ASCAZGACSA-N 0 1 399.148 3.116 20 0 GGADMN Fc1ccc(CNCCn2cc(Br)cn2)c(Br)c1 ZINC000310998271 565579016 /nfs/dbraw/zinc/57/90/16/565579016.db2.gz JCJLBXPYRJHRJU-UHFFFAOYSA-N 0 1 377.055 3.337 20 0 GGADMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000399841573 565579472 /nfs/dbraw/zinc/57/94/72/565579472.db2.gz CGRJNAFWWDIXHP-CVJBHZAOSA-N 0 1 399.148 3.116 20 0 GGADMN COCCOC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000173731776 565580353 /nfs/dbraw/zinc/58/03/53/565580353.db2.gz ZUIJHRDANNDBRP-OLZOCXBDSA-N 0 1 375.296 3.305 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccoc1Br ZINC000278839530 565581156 /nfs/dbraw/zinc/58/11/56/565581156.db2.gz VVOWAQBZGOMSAY-UHFFFAOYSA-N 0 1 379.254 3.251 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3ccco3)cc2Br)CC1 ZINC000191088502 565581870 /nfs/dbraw/zinc/58/18/70/565581870.db2.gz HMKRGZVQRINROJ-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](N[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000278855606 565581957 /nfs/dbraw/zinc/58/19/57/565581957.db2.gz QTAGYTSIELEXDD-IAOVAPTHSA-N 0 1 390.281 3.260 20 0 GGADMN CCOc1cc(CNCc2ccc(C)n(C)c2=O)cc(Br)c1OC ZINC000278879586 565583044 /nfs/dbraw/zinc/58/30/44/565583044.db2.gz ZKRUBDYXELHXBW-UHFFFAOYSA-N 0 1 395.297 3.153 20 0 GGADMN COCCN(Cc1cccnc1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000191126114 565584068 /nfs/dbraw/zinc/58/40/68/565584068.db2.gz VWBWRLUIQJELGB-MRXNPFEDSA-N 0 1 385.291 3.277 20 0 GGADMN Cn1cc(N2CCC[C@@H](N[C@H]3CCSc4ccc(Cl)cc43)C2=O)cn1 ZINC000173765323 565584156 /nfs/dbraw/zinc/58/41/56/565584156.db2.gz NMRZHGOGROQLRW-JKSUJKDBSA-N 0 1 376.913 3.396 20 0 GGADMN COc1ccc(Br)c(C(=O)N2CCNC[C@H]2c2ccccc2)c1 ZINC000313368907 565584337 /nfs/dbraw/zinc/58/43/37/565584337.db2.gz ZHWPILXYBKFIMZ-KRWDZBQOSA-N 0 1 375.266 3.244 20 0 GGADMN COc1cc(Br)ccc1C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000313355008 565584530 /nfs/dbraw/zinc/58/45/30/565584530.db2.gz MYYNXAQZDCQHOP-INIZCTEOSA-N 0 1 375.266 3.244 20 0 GGADMN O=C(c1csc(I)c1)N1CCNC[C@@H]1c1ccccc1 ZINC000313344286 565584699 /nfs/dbraw/zinc/58/46/99/565584699.db2.gz FTWBYWWIXHYMNW-CYBMUJFWSA-N 0 1 398.269 3.139 20 0 GGADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1nc(C(F)(F)F)cs1 ZINC000278916409 565584845 /nfs/dbraw/zinc/58/48/45/565584845.db2.gz KCYLUZURLSDWIG-BYPYZUCNSA-N 0 1 386.471 3.272 20 0 GGADMN CC[C@@]1(C)CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000173777348 565584911 /nfs/dbraw/zinc/58/49/11/565584911.db2.gz WJTHXPYRYIASJO-SFHVURJKSA-N 0 1 396.329 3.016 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278912542 565585289 /nfs/dbraw/zinc/58/52/89/565585289.db2.gz SZVUPHSTTGIQLA-ZDUSSCGKSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1nc(C(F)(F)F)cs1 ZINC000278916412 565585378 /nfs/dbraw/zinc/58/53/78/565585378.db2.gz KCYLUZURLSDWIG-SCSAIBSYSA-N 0 1 386.471 3.272 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@@H]1C(=O)[O-] ZINC000405191383 565585666 /nfs/dbraw/zinc/58/56/66/565585666.db2.gz RMDMOLCYQRGMCB-CABZTGNLSA-N 0 1 393.652 3.487 20 0 GGADMN CCN(CC)[C@H](CNC(=O)CSc1n[nH]c(C)n1)c1ccccc1Cl ZINC000173797646 565587470 /nfs/dbraw/zinc/58/74/70/565587470.db2.gz AMJHTPNGRGONMO-OAHLLOKOSA-N 0 1 381.933 3.058 20 0 GGADMN O=S(=O)(Nc1cccc(-c2cnco2)c1)c1cncc(Br)c1 ZINC000314977823 565588757 /nfs/dbraw/zinc/58/87/57/565588757.db2.gz PZLLDIFPEZDYMV-UHFFFAOYSA-N 0 1 380.223 3.300 20 0 GGADMN COc1ccc(Br)c(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000315917667 565590588 /nfs/dbraw/zinc/59/05/88/565590588.db2.gz PGEFTULQHSOLNO-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000315917667 565590591 /nfs/dbraw/zinc/59/05/91/565590591.db2.gz PGEFTULQHSOLNO-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN CC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000408021599 565590631 /nfs/dbraw/zinc/59/06/31/565590631.db2.gz IQPVJGKMDIECQT-VIFPVBQESA-N 0 1 375.650 3.005 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1Br ZINC000279037535 565592190 /nfs/dbraw/zinc/59/21/90/565592190.db2.gz NLMXAISHSGFLMP-WYVULQQZSA-N 0 1 398.326 3.305 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1Br ZINC000279059090 565593349 /nfs/dbraw/zinc/59/33/49/565593349.db2.gz YTAOKRUCHWRASG-UHFFFAOYSA-N 0 1 393.285 3.062 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCO[C@@H]2CCC[C@@H]21 ZINC000408098473 565594751 /nfs/dbraw/zinc/59/47/51/565594751.db2.gz VAXNZYJQLWOLHZ-QWHCGFSZSA-N 0 1 376.254 3.233 20 0 GGADMN CC(C)[C@@H](NCc1cc(Br)c(Cl)s1)C(=O)N1CCOCC1 ZINC000191299090 565594964 /nfs/dbraw/zinc/59/49/64/565594964.db2.gz GJIFCCQGRCPYHM-GFCCVEGCSA-N 0 1 395.750 3.137 20 0 GGADMN COc1ccc(-c2n[nH]c(SCCn3ccnc3)n2)cc1Br ZINC000191313870 565595338 /nfs/dbraw/zinc/59/53/38/565595338.db2.gz BIOHHVZAQCUABY-UHFFFAOYSA-N 0 1 380.271 3.232 20 0 GGADMN CCOC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191309649 565595401 /nfs/dbraw/zinc/59/54/01/565595401.db2.gz OTVTWVNBZPYERM-MRVPVSSYSA-N 0 1 386.271 3.287 20 0 GGADMN CCCNC(=O)[C@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191314277 565595772 /nfs/dbraw/zinc/59/57/72/565595772.db2.gz UGDPYKGGENDVIO-VIFPVBQESA-N 0 1 399.314 3.250 20 0 GGADMN CCc1nnc(CSc2nc(-c3ccc(OC)c(Br)c3)n[nH]2)o1 ZINC000191313057 565595824 /nfs/dbraw/zinc/59/58/24/565595824.db2.gz CUDJPLIQFRWBIS-UHFFFAOYSA-N 0 1 396.270 3.481 20 0 GGADMN O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1c(Cl)ccc(F)c1F ZINC000408115309 565595879 /nfs/dbraw/zinc/59/58/79/565595879.db2.gz MVDUHISXPSBUAC-TZTCFGBESA-N 0 1 377.840 3.244 20 0 GGADMN CCc1nc(CSc2nc(-c3ccc(OC)c(Br)c3)n[nH]2)no1 ZINC000191315886 565596113 /nfs/dbraw/zinc/59/61/13/565596113.db2.gz CKDMPMFLOBMZQA-UHFFFAOYSA-N 0 1 396.270 3.481 20 0 GGADMN COC[C@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000279108139 565596110 /nfs/dbraw/zinc/59/61/10/565596110.db2.gz RZACAVPPPROUDH-KBPBESRZSA-N 0 1 381.687 3.369 20 0 GGADMN O=C(CCc1ccccc1)N1CC[C@@H](NCc2ccc(Br)o2)C1 ZINC000191313269 565596186 /nfs/dbraw/zinc/59/61/86/565596186.db2.gz BHJMCZMXATVICE-OAHLLOKOSA-N 0 1 377.282 3.365 20 0 GGADMN CCN1CCN([C@H]2CCN(Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000191330718 565597008 /nfs/dbraw/zinc/59/70/08/565597008.db2.gz DLHNLUBJHFLVRH-LBPRGKRZSA-N 0 1 392.794 3.376 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2NCc1ccc(Br)cc1Cl ZINC000318648900 565597171 /nfs/dbraw/zinc/59/71/71/565597171.db2.gz SINQVLKJUGCILN-OAHLLOKOSA-N 0 1 384.705 3.459 20 0 GGADMN CN(CCOCC1CC1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349521 565598118 /nfs/dbraw/zinc/59/81/18/565598118.db2.gz RBVXAVRXQLPXLL-UHFFFAOYSA-N 0 1 386.330 3.457 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(Br)c1 ZINC000319420686 565599029 /nfs/dbraw/zinc/59/90/29/565599029.db2.gz OPIOKMAQYICZON-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(Br)c1 ZINC000319420686 565599034 /nfs/dbraw/zinc/59/90/34/565599034.db2.gz OPIOKMAQYICZON-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000408207789 565599429 /nfs/dbraw/zinc/59/94/29/565599429.db2.gz UFQQXDABUQTTOR-QWHCGFSZSA-N 0 1 392.301 3.191 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1Br ZINC000279181666 565600031 /nfs/dbraw/zinc/60/00/31/565600031.db2.gz HZFZYMMDRKNLMO-ZDUSSCGKSA-N 0 1 382.233 3.087 20 0 GGADMN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Cl)cc1Cl ZINC000173944139 565600361 /nfs/dbraw/zinc/60/03/61/565600361.db2.gz AJUNIDDVDBBEKL-NSHDSACASA-N 0 1 380.275 3.059 20 0 GGADMN Cc1nn(C)c(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1Br ZINC000279180927 565600575 /nfs/dbraw/zinc/60/05/75/565600575.db2.gz RWRHWWUXTWPAQO-CYBMUJFWSA-N 0 1 376.657 3.107 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1Br ZINC000279181662 565600607 /nfs/dbraw/zinc/60/06/07/565600607.db2.gz HZFZYMMDRKNLMO-CYBMUJFWSA-N 0 1 382.233 3.087 20 0 GGADMN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000319938717 565600925 /nfs/dbraw/zinc/60/09/25/565600925.db2.gz ASMWHRQVGGWEBZ-BQBZGAKWSA-N 0 1 390.130 3.160 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c1Br ZINC000279205059 565601192 /nfs/dbraw/zinc/60/11/92/565601192.db2.gz KKMUUSKSVPUVAJ-ZDUSSCGKSA-N 0 1 382.233 3.087 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000320366806 565602139 /nfs/dbraw/zinc/60/21/39/565602139.db2.gz IFWLFPUAQRSNBZ-CQSZACIVSA-N 0 1 383.286 3.415 20 0 GGADMN Cc1nn(C)c(CNC[C@H](O)c2ccc(Cl)c(F)c2)c1Br ZINC000279224299 565602801 /nfs/dbraw/zinc/60/28/01/565602801.db2.gz XSDZAGKGBGWFJB-ZDUSSCGKSA-N 0 1 376.657 3.107 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000320549093 565603496 /nfs/dbraw/zinc/60/34/96/565603496.db2.gz RWQQERBCTOVDFT-NSHDSACASA-N 0 1 380.242 3.186 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000321154497 565604173 /nfs/dbraw/zinc/60/41/73/565604173.db2.gz WOTWLMMNEDHNQI-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000321033031 565604297 /nfs/dbraw/zinc/60/42/97/565604297.db2.gz QSRFOTHXCJUWGD-ZDUSSCGKSA-N 0 1 384.270 3.440 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cncc(Br)c2)n(-c2ccccc2)n1 ZINC000320823400 565604609 /nfs/dbraw/zinc/60/46/09/565604609.db2.gz MTMQLZTZXLDUIQ-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CCc1cnc(NS(=O)(=O)c2ccc(OC)c(Br)c2)s1 ZINC000174020169 565607610 /nfs/dbraw/zinc/60/76/10/565607610.db2.gz CYHFHJRKXSGNAK-UHFFFAOYSA-N 0 1 377.285 3.277 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000174031925 565607988 /nfs/dbraw/zinc/60/79/88/565607988.db2.gz BOANZLZKDJMUOU-SNVBAGLBSA-N 0 1 392.472 3.368 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1nc(C(C)(C)C)no1 ZINC000174035162 565609021 /nfs/dbraw/zinc/60/90/21/565609021.db2.gz XTTAHPZGDCCPJT-SSDOTTSWSA-N 0 1 394.316 3.231 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H](C)C(=O)NC(C)C)cc1OC ZINC000322451418 565609054 /nfs/dbraw/zinc/60/90/54/565609054.db2.gz IDWLLXOVSFMDEJ-LBPRGKRZSA-N 0 1 387.318 3.249 20 0 GGADMN CCCOc1c(Br)cc(CN[C@H](C)C(=O)NC(C)C)cc1OC ZINC000322451416 565609209 /nfs/dbraw/zinc/60/92/09/565609209.db2.gz IDWLLXOVSFMDEJ-GFCCVEGCSA-N 0 1 387.318 3.249 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCOc1cccc(Br)c1 ZINC000322461941 565609447 /nfs/dbraw/zinc/60/94/47/565609447.db2.gz JHXIGEUAKPJZHF-KRWDZBQOSA-N 0 1 376.250 3.339 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)[nH]1 ZINC000174057839 565610116 /nfs/dbraw/zinc/61/01/16/565610116.db2.gz WCEUTNBUSUEBDJ-UHFFFAOYSA-N 0 1 377.470 3.420 20 0 GGADMN Cc1cccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1Br ZINC000322714062 565610165 /nfs/dbraw/zinc/61/01/65/565610165.db2.gz QOGGVKKWTLEDRQ-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN NC(=O)[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(Br)cc1F ZINC000174072413 565610321 /nfs/dbraw/zinc/61/03/21/565610321.db2.gz QYDYCXGCFJKFIQ-GTNSWQLSSA-N 0 1 393.256 3.271 20 0 GGADMN COc1ccc2c(c1)[C@H](NCCN(C)S(=O)(=O)c1cccs1)CCS2 ZINC000191535695 565611053 /nfs/dbraw/zinc/61/10/53/565611053.db2.gz XZBYKPXZPHHINO-OAHLLOKOSA-N 0 1 398.575 3.204 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCCN(C)S(=O)(=O)c1cccs1)CCS2 ZINC000191535712 565611154 /nfs/dbraw/zinc/61/11/54/565611154.db2.gz XZBYKPXZPHHINO-HNNXBMFYSA-N 0 1 398.575 3.204 20 0 GGADMN NC(=O)[C@H](NC[C@H]1CCc2ccccc21)c1ccc(Br)cc1F ZINC000174076009 565611108 /nfs/dbraw/zinc/61/11/08/565611108.db2.gz QMFNULLNKYLCGT-SJKOYZFVSA-N 0 1 377.257 3.434 20 0 GGADMN Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C[NH+](C)C)cc2)sc1Cl ZINC000191544473 565611222 /nfs/dbraw/zinc/61/12/22/565611222.db2.gz DVFJKAFUKURHOL-UHFFFAOYSA-N 0 1 387.914 3.011 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCCNS(=O)(=O)c1ccc(C)s1)CCS2 ZINC000191535745 565611476 /nfs/dbraw/zinc/61/14/76/565611476.db2.gz CIBIFRHUQLSTBJ-HNNXBMFYSA-N 0 1 398.575 3.170 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H]3CCc4c3ccc(Cl)c4Cl)C2=O)n(C)n1 ZINC000174091253 565612411 /nfs/dbraw/zinc/61/24/11/565612411.db2.gz RUDSLQHURFQOFB-CABCVRRESA-N 0 1 379.291 3.418 20 0 GGADMN COc1ccc(CNCCNC(=O)c2ccc(C)cc2)c(Br)c1 ZINC000323646356 565613714 /nfs/dbraw/zinc/61/37/14/565613714.db2.gz SYKBIECYSJFVFI-UHFFFAOYSA-N 0 1 377.282 3.286 20 0 GGADMN CCOCCOCCN(C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000191572534 565614411 /nfs/dbraw/zinc/61/44/11/565614411.db2.gz KOTJKTNIUNONJS-UHFFFAOYSA-N 0 1 382.302 3.120 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000174111282 565614425 /nfs/dbraw/zinc/61/44/25/565614425.db2.gz CGQFRGQNGQSTFE-KGLIPLIRSA-N 0 1 389.323 3.156 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)CC[C@H]1C(=O)[O-] ZINC000323682825 565614949 /nfs/dbraw/zinc/61/49/49/565614949.db2.gz QDUSQZRVHOWANX-ZWNOBZJWSA-N 0 1 380.242 3.042 20 0 GGADMN CC(C)(C)CN(CCCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000174139005 565615763 /nfs/dbraw/zinc/61/57/63/565615763.db2.gz DJYOBXCWYHEZPN-UHFFFAOYSA-N 0 1 393.272 3.396 20 0 GGADMN O=C(NCCOCC(F)F)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000191602519 565616020 /nfs/dbraw/zinc/61/60/20/565616020.db2.gz APCBGCBBKSDRQF-HNNXBMFYSA-N 0 1 375.847 3.058 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303007 565618048 /nfs/dbraw/zinc/61/80/48/565618048.db2.gz WOBUJCRMWUHCKB-CJNGLKHVSA-N 0 1 397.313 3.346 20 0 GGADMN COc1cc(Br)c(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)cc1OC ZINC000324540097 565618284 /nfs/dbraw/zinc/61/82/84/565618284.db2.gz VZPPWDXNMUQKIF-QGZVFWFLSA-N 0 1 386.286 3.399 20 0 GGADMN CCc1nn(C)cc1CN(CCC(=O)OC)Cc1cccc(Br)c1 ZINC000191630975 565618407 /nfs/dbraw/zinc/61/84/07/565618407.db2.gz NNNGBWUZYZOOPR-UHFFFAOYSA-N 0 1 394.313 3.310 20 0 GGADMN CCN(Cc1cnn(C)c1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191621518 565618518 /nfs/dbraw/zinc/61/85/18/565618518.db2.gz FBPLLTALXSPXTL-UHFFFAOYSA-N 0 1 393.329 3.041 20 0 GGADMN CCOC(=O)COc1cccc(NC(=O)c2ccc(Br)cc2O)c1 ZINC000324620162 565618821 /nfs/dbraw/zinc/61/88/21/565618821.db2.gz RCTLSSPTCFAXOQ-UHFFFAOYSA-N 0 1 394.221 3.349 20 0 GGADMN COCC1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191652620 565619071 /nfs/dbraw/zinc/61/90/71/565619071.db2.gz HVCQZXSUUHKFQX-UHFFFAOYSA-N 0 1 383.330 3.144 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(F)c(Br)c2)C1=O ZINC000191644308 565619587 /nfs/dbraw/zinc/61/95/87/565619587.db2.gz IJOIAYNAUHDJBG-OAHLLOKOSA-N 0 1 395.276 3.090 20 0 GGADMN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174185974 565619975 /nfs/dbraw/zinc/61/99/75/565619975.db2.gz WDQRCLQLMXVFRQ-INIZCTEOSA-N 0 1 385.335 3.497 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174207350 565620696 /nfs/dbraw/zinc/62/06/96/565620696.db2.gz PVLUTDYBKHJWIA-XWIAVFTESA-N 0 1 383.319 3.278 20 0 GGADMN O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174191627 565620724 /nfs/dbraw/zinc/62/07/24/565620724.db2.gz MEYHPANSASYFPM-XYPHTWIQSA-N 0 1 383.319 3.278 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191688418 565621387 /nfs/dbraw/zinc/62/13/87/565621387.db2.gz QGLPIPVTNVUYPG-WMLDXEAASA-N 0 1 383.330 3.021 20 0 GGADMN Cc1nn(C)c2ncc(CNCc3cc(Br)cc4c3OCC4)cc12 ZINC000325549028 565621698 /nfs/dbraw/zinc/62/16/98/565621698.db2.gz DAVKFNDADIKEJM-UHFFFAOYSA-N 0 1 387.281 3.264 20 0 GGADMN COc1cc(CNCc2cc(Br)cc3c2OCC3)cc2c1OCO2 ZINC000325636353 565622741 /nfs/dbraw/zinc/62/27/41/565622741.db2.gz YFCXYUZMEOXYFT-UHFFFAOYSA-N 0 1 392.249 3.411 20 0 GGADMN Brc1cc2c(c(CNCc3c[nH]nc3-c3cccnc3)c1)OCC2 ZINC000325834693 565622831 /nfs/dbraw/zinc/62/28/31/565622831.db2.gz VDEABCVZXLXEOJ-UHFFFAOYSA-N 0 1 385.265 3.459 20 0 GGADMN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1O ZINC000174251323 565623834 /nfs/dbraw/zinc/62/38/34/565623834.db2.gz LGAMFNYQRBLOIE-UHFFFAOYSA-N 0 1 380.853 3.282 20 0 GGADMN Cc1ccc(O[C@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174261414 565624438 /nfs/dbraw/zinc/62/44/38/565624438.db2.gz XMFQWBGRVWUCEP-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN Cc1ccccc1O[C@H](C)CN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174258820 565625038 /nfs/dbraw/zinc/62/50/38/565625038.db2.gz FHUZECTXHHXKEU-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN Cc1ccc(O[C@@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174261426 565625071 /nfs/dbraw/zinc/62/50/71/565625071.db2.gz XMFQWBGRVWUCEP-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN O=C([C@@H]1C[C@]12CCc1cc(Br)ccc12)N1CCN2CCCC[C@@H]2C1 ZINC000409586814 565626018 /nfs/dbraw/zinc/62/60/18/565626018.db2.gz WYFGABZHTVJDJO-KPFFTGBYSA-N 0 1 389.337 3.350 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)Oc1ccccc1F ZINC000174262988 565626051 /nfs/dbraw/zinc/62/60/51/565626051.db2.gz WLVOFPUYICFDTC-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)Oc1ccc(F)cc1 ZINC000174264486 565626296 /nfs/dbraw/zinc/62/62/96/565626296.db2.gz GODBFZMEKNGXKN-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCN3CCC[C@@H](C)C3)c2)n1 ZINC000409594901 565626500 /nfs/dbraw/zinc/62/65/00/565626500.db2.gz JPTRDNHCWFHJFN-CQSZACIVSA-N 0 1 379.551 3.129 20 0 GGADMN Cc1ccc(F)c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000279697562 565627753 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COCCCN(CCCc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000193234614 565739704 /nfs/dbraw/zinc/73/97/04/565739704.db2.gz YOGSLKBKXFLMJA-CQSZACIVSA-N 0 1 394.364 3.452 20 0 GGADMN COC(=O)[C@H](C)N(CCC(=O)Nc1ccccc1Br)C1CCC1 ZINC000411614959 565739943 /nfs/dbraw/zinc/73/99/43/565739943.db2.gz BBXZDSPCPOZSGT-LBPRGKRZSA-N 0 1 383.286 3.194 20 0 GGADMN CCc1c(NC(=O)CC2OCCCO2)[nH]nc1-c1ccc(Br)cc1 ZINC000193236297 565740313 /nfs/dbraw/zinc/74/03/13/565740313.db2.gz WJRPDBZXGXHSAM-UHFFFAOYSA-N 0 1 394.269 3.493 20 0 GGADMN COCCCN(CCCc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000193234629 565740428 /nfs/dbraw/zinc/74/04/28/565740428.db2.gz YOGSLKBKXFLMJA-AWEZNQCLSA-N 0 1 394.364 3.452 20 0 GGADMN O=C(NCC1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1)C(F)(F)F ZINC000281664430 565741061 /nfs/dbraw/zinc/74/10/61/565741061.db2.gz JHOHWGJYAYINEX-UHFFFAOYSA-N 0 1 384.732 3.149 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2Br)n[nH]1 ZINC000331156495 565742140 /nfs/dbraw/zinc/74/21/40/565742140.db2.gz PZLGOLHRTDKFGK-DTWKUNHWSA-N 0 1 383.294 3.418 20 0 GGADMN CCCN(CCC(=O)Nc1ccccc1Br)[C@H](C)C(=O)OCC ZINC000411646758 565742240 /nfs/dbraw/zinc/74/22/40/565742240.db2.gz KPXXIQOEHAJXLN-CYBMUJFWSA-N 0 1 385.302 3.441 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cccc(Br)c1Cl ZINC000411645863 565742530 /nfs/dbraw/zinc/74/25/30/565742530.db2.gz PAYDGAGFYMUDTK-STQMWFEESA-N 0 1 395.750 3.053 20 0 GGADMN O=C(CCN[C@@H](CO)c1cccc(Cl)c1F)N1CCc2sccc2C1 ZINC000411666847 565743185 /nfs/dbraw/zinc/74/31/85/565743185.db2.gz HKIRPNUBHFOHBK-HNNXBMFYSA-N 0 1 382.888 3.139 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1nc(CN2CCCCC2)cs1 ZINC000176094541 565747608 /nfs/dbraw/zinc/74/76/08/565747608.db2.gz VKXDLBHWFBGLBV-UHFFFAOYSA-N 0 1 387.581 3.374 20 0 GGADMN C[C@@H](Cn1cc(Br)cn1)NCc1ccncc1OCC(F)(F)F ZINC000281797372 565748780 /nfs/dbraw/zinc/74/87/80/565748780.db2.gz YDEKFHRJVRFIBI-JTQLQIEISA-N 0 1 393.207 3.160 20 0 GGADMN O=C1[C@H](N[C@H](CO)c2ccc(Br)cc2)CCN1c1ccc(F)cc1 ZINC000411756111 565750340 /nfs/dbraw/zinc/75/03/40/565750340.db2.gz JXNPUPJUMVAZCJ-IAGOWNOFSA-N 0 1 393.256 3.017 20 0 GGADMN CN(C(=O)CCN[C@H](CO)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000411762697 565750421 /nfs/dbraw/zinc/75/04/21/565750421.db2.gz XONQXDLXNSOCDI-QGZVFWFLSA-N 0 1 395.272 3.264 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(SC)c(Cl)c3)C2)CC1 ZINC000176115071 565751250 /nfs/dbraw/zinc/75/12/50/565751250.db2.gz RYHGLZGFWJREJC-HNNXBMFYSA-N 0 1 382.961 3.306 20 0 GGADMN COC(=O)c1cncc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000193443656 565751589 /nfs/dbraw/zinc/75/15/89/565751589.db2.gz TWEPZDFTIIVPNT-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN O=S(=O)([N-]Cc1ccc2c(c1)C[NH2+]C2)c1c(Cl)cccc1C(F)(F)F ZINC000193433485 565751776 /nfs/dbraw/zinc/75/17/76/565751776.db2.gz HABJTRUWMBHDLQ-UHFFFAOYSA-N 0 1 390.814 3.441 20 0 GGADMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000331284282 565752009 /nfs/dbraw/zinc/75/20/09/565752009.db2.gz KUXDZNMLSXSUFU-LALPHHSUSA-N 0 1 380.286 3.480 20 0 GGADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000176138825 565752221 /nfs/dbraw/zinc/75/22/21/565752221.db2.gz WVUBCDAMVPPFBF-UHFFFAOYSA-N 0 1 385.898 3.299 20 0 GGADMN CCn1c(CCNC(=O)CSc2n[nH]c(=S)s2)nc2ccccc21 ZINC000176138226 565752231 /nfs/dbraw/zinc/75/22/31/565752231.db2.gz KYCIDPOCXYLQKW-UHFFFAOYSA-N 0 1 379.536 3.021 20 0 GGADMN C[C@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)N1CCC(C)CC1 ZINC000176131425 565752340 /nfs/dbraw/zinc/75/23/40/565752340.db2.gz JXZDESGSTHXPGY-OAHLLOKOSA-N 0 1 382.957 3.493 20 0 GGADMN O=C(NCC1CCN(C(=O)c2ccc(Br)s2)CC1)C(F)(F)F ZINC000281861192 565752492 /nfs/dbraw/zinc/75/24/92/565752492.db2.gz YUNSIBJLQYMIFV-UHFFFAOYSA-N 0 1 399.232 3.041 20 0 GGADMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000331295817 565752789 /nfs/dbraw/zinc/75/27/89/565752789.db2.gz SMNACOXTURTLIC-JMSVASOKSA-N 0 1 380.286 3.480 20 0 GGADMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000331295818 565753028 /nfs/dbraw/zinc/75/30/28/565753028.db2.gz SMNACOXTURTLIC-LALPHHSUSA-N 0 1 380.286 3.480 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1Cl ZINC000193484984 565755541 /nfs/dbraw/zinc/75/55/41/565755541.db2.gz ALNGPYQNXWMOAS-UHFFFAOYSA-N 0 1 387.244 3.297 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000193501698 565756647 /nfs/dbraw/zinc/75/66/47/565756647.db2.gz YPLCVNFHSLPGBJ-GXTWGEPZSA-N 0 1 378.270 3.271 20 0 GGADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000411831857 565756814 /nfs/dbraw/zinc/75/68/14/565756814.db2.gz CJXVZWLVYYUDBS-ZDUSSCGKSA-N 0 1 376.444 3.266 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2nccs2)CC1 ZINC000193511318 565757408 /nfs/dbraw/zinc/75/74/08/565757408.db2.gz LGMLTHCYWVZCKV-UHFFFAOYSA-N 0 1 379.917 3.260 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000281965431 565757598 /nfs/dbraw/zinc/75/75/98/565757598.db2.gz LCXMYWRLMVUTAB-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1n[nH]c2ccc(Br)cc21 ZINC000331398617 565758931 /nfs/dbraw/zinc/75/89/31/565758931.db2.gz OKLJDAGHMZQCME-NHYWBVRUSA-N 0 1 380.286 3.387 20 0 GGADMN Fc1ccc(Br)c(F)c1CNCCc1nnc2n1CCCCC2 ZINC000281993825 565759356 /nfs/dbraw/zinc/75/93/56/565759356.db2.gz LNWFJHWSPXCHQK-UHFFFAOYSA-N 0 1 385.256 3.378 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000282001558 565759567 /nfs/dbraw/zinc/75/95/67/565759567.db2.gz OIZNHHQLOVSTJW-AULYBMBSSA-N 0 1 381.249 3.365 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Cl)ccc1Br ZINC000282020282 565760651 /nfs/dbraw/zinc/76/06/51/565760651.db2.gz QIRFZARPZININT-UHFFFAOYSA-N 0 1 393.734 3.008 20 0 GGADMN CO[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccccc1Br ZINC000411896450 565760650 /nfs/dbraw/zinc/76/06/50/565760650.db2.gz ZIXVVMCZGKTZCF-AEFFLSMTSA-N 0 1 375.266 3.290 20 0 GGADMN CO[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(Br)cc1F ZINC000411894547 565760806 /nfs/dbraw/zinc/76/08/06/565760806.db2.gz RDLHSLLPVRFEJP-AEFFLSMTSA-N 0 1 393.256 3.429 20 0 GGADMN CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000176272562 565761452 /nfs/dbraw/zinc/76/14/52/565761452.db2.gz JYCBSNHBGNXYRA-UHFFFAOYSA-N 0 1 382.580 3.449 20 0 GGADMN CN(C)C(=O)[C@@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411942689 565761685 /nfs/dbraw/zinc/76/16/85/565761685.db2.gz QANMNXSVBFQOCK-CYBMUJFWSA-N 0 1 378.270 3.014 20 0 GGADMN CC(C)(C)c1nc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000331505724 565762654 /nfs/dbraw/zinc/76/26/54/565762654.db2.gz CFZKPDCXZBXPBC-CQSZACIVSA-N 0 1 379.302 3.438 20 0 GGADMN NC(=O)[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1c1ccccc1 ZINC000411970247 565763190 /nfs/dbraw/zinc/76/31/90/565763190.db2.gz DRSCRWWLRFLWKU-LSDHHAIUSA-N 0 1 399.292 3.026 20 0 GGADMN NC(=O)[C@]1(c2ccccc2)CCN(Cc2cc(Br)ccc2F)C1 ZINC000411974901 565764506 /nfs/dbraw/zinc/76/45/06/565764506.db2.gz ZDVFEAZEZZHUPM-GOSISDBHSA-N 0 1 377.257 3.217 20 0 GGADMN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c1Br ZINC000331526321 565764568 /nfs/dbraw/zinc/76/45/68/565764568.db2.gz DHUBXLWHYBOLNV-LLVKDONJSA-N 0 1 395.305 3.344 20 0 GGADMN OCC1([C@@H](NCc2ccc(Br)cn2)c2ccccc2)CCOCC1 ZINC000412004941 565765260 /nfs/dbraw/zinc/76/52/60/565765260.db2.gz ADNIQOCNRVYIOR-SFHVURJKSA-N 0 1 391.309 3.464 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)C1(c2cncc(Br)c2)CC1 ZINC000282099137 565765321 /nfs/dbraw/zinc/76/53/21/565765321.db2.gz VXSJIZMAIKQRTE-UHFFFAOYSA-N 0 1 375.148 3.256 20 0 GGADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000331552657 565766375 /nfs/dbraw/zinc/76/63/75/565766375.db2.gz HZBYGLLTJYXSFO-COXVUDFISA-N 0 1 397.313 3.046 20 0 GGADMN Cc1nc(C2(NC(=O)c3cc(Br)cc4nc[nH]c43)CCCC2)no1 ZINC000282144604 565766429 /nfs/dbraw/zinc/76/64/29/565766429.db2.gz SCEULVPLPPXEMX-UHFFFAOYSA-N 0 1 390.241 3.216 20 0 GGADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3ccccc3Br)[C@H]2C1 ZINC000331552664 565766390 /nfs/dbraw/zinc/76/63/90/565766390.db2.gz HZBYGLLTJYXSFO-XOKHGSTOSA-N 0 1 397.313 3.046 20 0 GGADMN CC(C)N(CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000176366900 565766982 /nfs/dbraw/zinc/76/69/82/565766982.db2.gz PZBWBSZCESDXQD-UHFFFAOYSA-N 0 1 383.208 3.109 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000176352146 565767086 /nfs/dbraw/zinc/76/70/86/565767086.db2.gz WQQAXNNTNJAHPJ-VIFPVBQESA-N 0 1 396.346 3.449 20 0 GGADMN Cc1cc(C2CCN(C(=O)C3(c4cncc(Br)c4)CC3)CC2)n[nH]1 ZINC000282156253 565767261 /nfs/dbraw/zinc/76/72/61/565767261.db2.gz BUURVWCOELIINL-UHFFFAOYSA-N 0 1 389.297 3.313 20 0 GGADMN COc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1Br ZINC000412052690 565767935 /nfs/dbraw/zinc/76/79/35/565767935.db2.gz DFWMKWKTGLKVPX-HNNXBMFYSA-N 0 1 381.314 3.435 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(Cc3c(F)c(F)c(Br)c(F)c3F)C2)n1 ZINC000412049972 565768189 /nfs/dbraw/zinc/76/81/89/565768189.db2.gz ZPIPKJVGWKWLTK-SSDOTTSWSA-N 0 1 393.182 3.422 20 0 GGADMN Cc1nnc([C@@H]2CCN(Cc3c(F)c(F)c(Br)c(F)c3F)C2)[nH]1 ZINC000412049972 565768196 /nfs/dbraw/zinc/76/81/96/565768196.db2.gz ZPIPKJVGWKWLTK-SSDOTTSWSA-N 0 1 393.182 3.422 20 0 GGADMN NC(=O)[C@H](N[C@H]1CCCC12CCOCC2)c1ccc(Br)cc1F ZINC000282175290 565768552 /nfs/dbraw/zinc/76/85/52/565768552.db2.gz VIIPLDKFCOHSTG-LSDHHAIUSA-N 0 1 385.277 3.054 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCCc1c[nH]c2ccc(F)cc12 ZINC000282229260 565770388 /nfs/dbraw/zinc/77/03/88/565770388.db2.gz VHTDAWSNYXBJKB-UHFFFAOYSA-N 0 1 382.511 3.288 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000176421984 565770621 /nfs/dbraw/zinc/77/06/21/565770621.db2.gz XDDZYTJJRXPJPS-ZDUSSCGKSA-N 0 1 394.591 3.416 20 0 GGADMN CN(CC[S@](=O)c1cc(Cl)ccc1Cl)C(C)(C)CN1CCOCC1 ZINC000412097498 565771217 /nfs/dbraw/zinc/77/12/17/565771217.db2.gz VTRHOIVWRVOINO-DEOSSOPVSA-N 0 1 393.380 3.144 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)sc1Br ZINC000176436452 565771273 /nfs/dbraw/zinc/77/12/73/565771273.db2.gz ACEBSEXEVICUKK-UHFFFAOYSA-N 0 1 399.295 3.201 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)N=c2nc(-c3sccc3C)[n-]s2)C[C@H]1C ZINC000331610020 565771514 /nfs/dbraw/zinc/77/15/14/565771514.db2.gz RNLLZQZJLCMRCY-CHWSQXEVSA-N 0 1 379.555 3.333 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000282262411 565771856 /nfs/dbraw/zinc/77/18/56/565771856.db2.gz NUVZTTDRJPXOPA-UHFFFAOYSA-N 0 1 375.519 3.232 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC2(SC)CC2)CC1 ZINC000193720953 565772018 /nfs/dbraw/zinc/77/20/18/565772018.db2.gz MVDCSHBORQAIHG-UHFFFAOYSA-N 0 1 382.961 3.499 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)[nH]1 ZINC000282288138 565772435 /nfs/dbraw/zinc/77/24/35/565772435.db2.gz YTPCFENYSGQSCP-UHFFFAOYSA-N 0 1 378.351 3.314 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)n1 ZINC000282288138 565772439 /nfs/dbraw/zinc/77/24/39/565772439.db2.gz YTPCFENYSGQSCP-UHFFFAOYSA-N 0 1 378.351 3.314 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccoc2Br)CC1 ZINC000193745647 565773529 /nfs/dbraw/zinc/77/35/29/565773529.db2.gz WKCZDSLVTKBPIS-LBPRGKRZSA-N 0 1 378.270 3.393 20 0 GGADMN CCCN1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC1=O ZINC000412218535 565774470 /nfs/dbraw/zinc/77/44/70/565774470.db2.gz MWTNOOVTXZMELJ-QMMMGPOBSA-N 0 1 375.650 3.005 20 0 GGADMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1Br ZINC000331654973 565774807 /nfs/dbraw/zinc/77/48/07/565774807.db2.gz WEBNFGRSGZUWJW-HZMBPMFUSA-N 0 1 396.260 3.476 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@H](COCc2ccccc2)C1 ZINC000176462374 565774815 /nfs/dbraw/zinc/77/48/15/565774815.db2.gz IHEJAWBGIYHQKF-ZDUSSCGKSA-N 0 1 381.548 3.358 20 0 GGADMN Cc1ccc(N2CCC[C@@H](NC(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000176463357 565775132 /nfs/dbraw/zinc/77/51/32/565775132.db2.gz XKMXREQYCIQTJD-GFCCVEGCSA-N 0 1 380.564 3.386 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193791635 565775670 /nfs/dbraw/zinc/77/56/70/565775670.db2.gz WUIXFXFFIQSRNE-UHFFFAOYSA-N 0 1 396.431 3.057 20 0 GGADMN C[C@@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)CC[N@H+]1Cc1ccccc1 ZINC000176491217 565776840 /nfs/dbraw/zinc/77/68/40/565776840.db2.gz WJNNNUZGQAWLHS-CYBMUJFWSA-N 0 1 394.591 3.416 20 0 GGADMN Cc1cc([C@@H](C)NCCC(=O)N(C)Cc2ccccc2Br)nn1C ZINC000282411565 565777525 /nfs/dbraw/zinc/77/75/25/565777525.db2.gz YGFFWSRXFPEAQM-CQSZACIVSA-N 0 1 393.329 3.190 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000331707408 565778294 /nfs/dbraw/zinc/77/82/94/565778294.db2.gz DIGDNJQPSUPABJ-IRXDYDNUSA-N 0 1 379.302 3.019 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3cccc(Cl)c3Cl)nc2)CC1 ZINC000193833112 565778347 /nfs/dbraw/zinc/77/83/47/565778347.db2.gz WZYWHMPQHOKOIN-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN O=C(N[C@H](CCO)C1CCCCC1)c1cc(Br)cc2nc[nH]c21 ZINC000331732523 565780796 /nfs/dbraw/zinc/78/07/96/565780796.db2.gz RJUGNDOKBYKGQU-CQSZACIVSA-N 0 1 380.286 3.387 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)s1 ZINC000331773958 565782429 /nfs/dbraw/zinc/78/24/29/565782429.db2.gz DTOCBIZHCXZXFT-SNVBAGLBSA-N 0 1 379.429 3.367 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ncccc1Br)C1CC1 ZINC000193911367 565782711 /nfs/dbraw/zinc/78/27/11/565782711.db2.gz 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1 386.267 3.405 20 0 GGADMN COCc1cccc(NS(=O)(=O)c2cc(OC)ccc2Br)c1 ZINC000176684092 565793894 /nfs/dbraw/zinc/79/38/94/565793894.db2.gz YARQZXUGEQXFGD-UHFFFAOYSA-N 0 1 386.267 3.405 20 0 GGADMN COc1cc(S(=O)(=O)Nc2ccc(F)cc2OC)ccc1Br ZINC000176684006 565794150 /nfs/dbraw/zinc/79/41/50/565794150.db2.gz INBLDJWVXUYBHO-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(N)c2Cl)n[nH]1 ZINC000331939347 565794915 /nfs/dbraw/zinc/79/49/15/565794915.db2.gz RADFRDNPCQPLFG-NSHDSACASA-N 0 1 384.267 3.208 20 0 GGADMN Cc1cc(C2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)[nH]n1 ZINC000331953152 565794960 /nfs/dbraw/zinc/79/49/60/565794960.db2.gz SUGGLKWXBUYSIC-UHFFFAOYSA-N 0 1 377.286 3.299 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Br)cs1 ZINC000194107463 565795086 /nfs/dbraw/zinc/79/50/86/565795086.db2.gz OWXHPCVRGKVQFR-ZYHUDNBSSA-N 0 1 383.315 3.090 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cccc(Br)c2)n[nH]1 ZINC000331961181 565795927 /nfs/dbraw/zinc/79/59/27/565795927.db2.gz 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GGADMN O=S(=O)(Cc1ccc(Br)cc1)Nc1ncccc1OC(F)F ZINC000194571651 565824471 /nfs/dbraw/zinc/82/44/71/565824471.db2.gz IBDQSJAFSYMLFM-UHFFFAOYSA-N 0 1 393.209 3.387 20 0 GGADMN CSc1nn(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)c(=O)[nH]1 ZINC000194582051 565824700 /nfs/dbraw/zinc/82/47/00/565824700.db2.gz HVBZPWWJTGAZBQ-UHFFFAOYSA-N 0 1 395.897 3.136 20 0 GGADMN O=S(=O)(Cc1ccc(Br)cc1)Nc1cnc2ccccc2n1 ZINC000194600223 565825247 /nfs/dbraw/zinc/82/52/47/565825247.db2.gz PNXYTLNBLMJOKL-UHFFFAOYSA-N 0 1 378.251 3.334 20 0 GGADMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000194598908 565825338 /nfs/dbraw/zinc/82/53/38/565825338.db2.gz ZUOGEKCGGZHRKR-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN Cc1nc(NS(=O)(=O)Cc2c(F)cccc2F)ccc1Br ZINC000194596006 565825452 /nfs/dbraw/zinc/82/54/52/565825452.db2.gz JRPDPAHJNDYGEA-UHFFFAOYSA-N 0 1 377.210 3.373 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NCCN(C)Cc2ccc(F)cc2)c1Br ZINC000177060197 565826629 /nfs/dbraw/zinc/82/66/29/565826629.db2.gz QBPYSXYDKAPBSH-UHFFFAOYSA-N 0 1 397.292 3.297 20 0 GGADMN Cc1[nH]nc(NS(=O)(=O)Cc2ccc(Cl)cc2Br)c1C ZINC000194610143 565826915 /nfs/dbraw/zinc/82/69/15/565826915.db2.gz SWFVYYZTFLMWFV-UHFFFAOYSA-N 0 1 378.679 3.384 20 0 GGADMN Brc1ccccc1-c1nc(SCCN2CCCOCC2)n[nH]1 ZINC000412984484 565827885 /nfs/dbraw/zinc/82/78/85/565827885.db2.gz QLZFUBONSLWJPX-UHFFFAOYSA-N 0 1 383.315 3.049 20 0 GGADMN CSc1c(F)cc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1F ZINC000194660607 565828741 /nfs/dbraw/zinc/82/87/41/565828741.db2.gz ORQYSEAHOPIALH-UHFFFAOYSA-N 0 1 386.445 3.189 20 0 GGADMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)s1 ZINC000194647069 565829057 /nfs/dbraw/zinc/82/90/57/565829057.db2.gz QAQNPHKUCMIQRL-UHFFFAOYSA-N 0 1 381.523 3.153 20 0 GGADMN CS(=O)(=O)c1ccc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)o1 ZINC000413003313 565829638 /nfs/dbraw/zinc/82/96/38/565829638.db2.gz WOIZPXMBXLCCGX-UHFFFAOYSA-N 0 1 375.475 3.249 20 0 GGADMN O=C(c1ccc(Br)cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332337269 565829822 /nfs/dbraw/zinc/82/98/22/565829822.db2.gz QEQZKBNINOUNCC-MRVPVSSYSA-N 0 1 386.633 3.211 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C4CCOCC4)n3)n2)c1 ZINC000283795451 565830066 /nfs/dbraw/zinc/83/00/66/565830066.db2.gz HCMFXZSCXBKNEL-UHFFFAOYSA-N 0 1 376.214 3.178 20 0 GGADMN CC1(C)CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)CCC(F)(F)F ZINC000283794169 565830243 /nfs/dbraw/zinc/83/02/43/565830243.db2.gz AAARKKWYIIAUJI-OAHLLOKOSA-N 0 1 378.460 3.159 20 0 GGADMN O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332329351 565830340 /nfs/dbraw/zinc/83/03/40/565830340.db2.gz MVPHFJOXSHLJJD-MRVPVSSYSA-N 0 1 375.734 3.467 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC(NCc3ncc(Cl)s3)CC2)cc1 ZINC000332346598 565831150 /nfs/dbraw/zinc/83/11/50/565831150.db2.gz XIYCWOQHVIBWNN-UHFFFAOYSA-N 0 1 385.942 3.048 20 0 GGADMN CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332349814 565831267 /nfs/dbraw/zinc/83/12/67/565831267.db2.gz QMASBEDYMCDUAW-DYVFJYSZSA-N 0 1 392.297 3.462 20 0 GGADMN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332349816 565831301 /nfs/dbraw/zinc/83/13/01/565831301.db2.gz QMASBEDYMCDUAW-GUYCJALGSA-N 0 1 392.297 3.462 20 0 GGADMN CO[C@@H](C)CCc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000283806363 565831302 /nfs/dbraw/zinc/83/13/02/565831302.db2.gz IIHJEWLADSZOOI-VIFPVBQESA-N 0 1 378.230 3.252 20 0 GGADMN CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332349812 565831371 /nfs/dbraw/zinc/83/13/71/565831371.db2.gz QMASBEDYMCDUAW-CXAGYDPISA-N 0 1 392.297 3.462 20 0 GGADMN CN(C)C(=O)c1ccc(CN[C@@H](c2cncc(Br)c2)C2CC2)[nH]1 ZINC000283817940 565831823 /nfs/dbraw/zinc/83/18/23/565831823.db2.gz CJLCCHPIGBGOBL-MRXNPFEDSA-N 0 1 377.286 3.115 20 0 GGADMN CC(C)N1C(=S)N=NC1CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000177150993 565832173 /nfs/dbraw/zinc/83/21/73/565832173.db2.gz YPWOZPGCWHICBK-UHFFFAOYSA-N 0 1 375.281 3.133 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000177187908 565834789 /nfs/dbraw/zinc/83/47/89/565834789.db2.gz XBHOCKPUIBTUBI-UHFFFAOYSA-N 0 1 392.282 3.186 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc([C@H]4CCCOC4)n3)n2)c1 ZINC000283933033 565835902 /nfs/dbraw/zinc/83/59/02/565835902.db2.gz NHFKDXCJNMXWEW-JTQLQIEISA-N 0 1 376.214 3.178 20 0 GGADMN Cc1c(Br)ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1F ZINC000194774166 565836073 /nfs/dbraw/zinc/83/60/73/565836073.db2.gz NCJIKOXSEOFWOS-OAHLLOKOSA-N 0 1 385.277 3.479 20 0 GGADMN O=S1(=O)CCC[C@@H](CN(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 ZINC000283949626 565836075 /nfs/dbraw/zinc/83/60/75/565836075.db2.gz DITYEXNRETZJKX-ZWKOTPCHSA-N 0 1 379.547 3.109 20 0 GGADMN CN(C[C@@H]1CCCS(=O)(=O)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000283939598 565836353 /nfs/dbraw/zinc/83/63/53/565836353.db2.gz DBAMHJIOEKXWSA-AWEZNQCLSA-N 0 1 386.355 3.237 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332431831 565836768 /nfs/dbraw/zinc/83/67/68/565836768.db2.gz ZLLOBJZGWYGCAL-ZYHUDNBSSA-N 0 1 380.242 3.047 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332435715 565836923 /nfs/dbraw/zinc/83/69/23/565836923.db2.gz HAGLLRHSIDNAAJ-YJBOKZPZSA-N 0 1 394.313 3.210 20 0 GGADMN O=S(=O)(CCN[C@H](c1cncc(Br)c1)C1CC1)c1ccccc1 ZINC000283950412 565836976 /nfs/dbraw/zinc/83/69/76/565836976.db2.gz ANWVKUSBZKGXMQ-KRWDZBQOSA-N 0 1 395.322 3.359 20 0 GGADMN Cc1nc([C@@H](C)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)n[nH]1 ZINC000332442949 565838207 /nfs/dbraw/zinc/83/82/07/565838207.db2.gz BLPZLVOXPOPWCJ-LLVKDONJSA-N 0 1 392.301 3.287 20 0 GGADMN C[C@@H](CC(=O)Nc1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177260860 565839369 /nfs/dbraw/zinc/83/93/69/565839369.db2.gz UEJPKBDHJZBDGA-AWEZNQCLSA-N 0 1 380.897 3.121 20 0 GGADMN C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cn[nH]c1 ZINC000284028699 565839950 /nfs/dbraw/zinc/83/99/50/565839950.db2.gz JEGSCKIPPDOVCC-LLVKDONJSA-N 0 1 386.315 3.075 20 0 GGADMN Cc1nc([C@@H](C)N2CCC(C(=O)Nc3ccccc3Br)CC2)n[nH]1 ZINC000332496014 565840331 /nfs/dbraw/zinc/84/03/31/565840331.db2.gz WUWPNPOTAFXLNW-LLVKDONJSA-N 0 1 392.301 3.287 20 0 GGADMN CO[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1(C)C ZINC000332496281 565840445 /nfs/dbraw/zinc/84/04/45/565840445.db2.gz BXZXTMDIPZMKGK-OAHLLOKOSA-N 0 1 393.281 3.178 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)[C@H](C)c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000332485157 565840709 /nfs/dbraw/zinc/84/07/09/565840709.db2.gz ZKOUYPAJILUBQM-QMTHXVAHSA-N 0 1 383.279 3.378 20 0 GGADMN CCOC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000194822738 565841087 /nfs/dbraw/zinc/84/10/87/565841087.db2.gz LSXDZTUDIPITAD-UHFFFAOYSA-N 0 1 392.264 3.013 20 0 GGADMN Brc1cccc(C2(CN[C@@H](c3nnc[nH]3)c3cccnc3)CC2)c1 ZINC000284081122 565841145 /nfs/dbraw/zinc/84/11/45/565841145.db2.gz LTYRHWQOIOHMIY-MRXNPFEDSA-N 0 1 384.281 3.373 20 0 GGADMN OC1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CCCC1 ZINC000284079243 565841259 /nfs/dbraw/zinc/84/12/59/565841259.db2.gz VCKSAZWFHXJQQB-UHFFFAOYSA-N 0 1 376.214 3.046 20 0 GGADMN C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000177302591 565841695 /nfs/dbraw/zinc/84/16/95/565841695.db2.gz HZRVESZZLPMYKZ-AWEZNQCLSA-N 0 1 396.329 3.016 20 0 GGADMN CCC(=O)[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332537440 565842651 /nfs/dbraw/zinc/84/26/51/565842651.db2.gz YVPRLASKGQQGQH-HNNXBMFYSA-N 0 1 391.265 3.264 20 0 GGADMN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@@H](C(N)=O)C1 ZINC000332536740 565842697 /nfs/dbraw/zinc/84/26/97/565842697.db2.gz YTBCLCWXWUWNSS-YMTOWFKASA-N 0 1 392.253 3.067 20 0 GGADMN NC(=O)C[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332530513 565842817 /nfs/dbraw/zinc/84/28/17/565842817.db2.gz VEOMPGXGIUUNJF-SNVBAGLBSA-N 0 1 392.253 3.068 20 0 GGADMN COc1cc(Cl)ccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177318129 565842948 /nfs/dbraw/zinc/84/29/48/565842948.db2.gz BPBBLTAHOQAXRL-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN COc1cc(Cl)ccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177318141 565843368 /nfs/dbraw/zinc/84/33/68/565843368.db2.gz BPBBLTAHOQAXRL-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)OC(C)(C)C ZINC000413269581 565843647 /nfs/dbraw/zinc/84/36/47/565843647.db2.gz SJEDTNFKAHUXRL-SECBINFHSA-N 0 1 395.257 3.151 20 0 GGADMN Cn1ncc2c1C[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1O)CC2 ZINC000332597453 565846191 /nfs/dbraw/zinc/84/61/91/565846191.db2.gz CCAOKESWEQNWQL-QMMMGPOBSA-N 0 1 384.661 3.285 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1C ZINC000332600213 565846206 /nfs/dbraw/zinc/84/62/06/565846206.db2.gz MKFQKSGWQOXFRF-RYUDHWBXSA-N 0 1 392.301 3.339 20 0 GGADMN CSc1ccc(S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000194928359 565847787 /nfs/dbraw/zinc/84/77/87/565847787.db2.gz JPEQVUOYFSMYSC-UHFFFAOYSA-N 0 1 380.535 3.287 20 0 GGADMN COC(=O)CCN(Cc1nnc(-c2ccc(Br)o2)o1)CC(C)C ZINC000194922013 565848379 /nfs/dbraw/zinc/84/83/79/565848379.db2.gz NVWCRPLTWWMGMN-UHFFFAOYSA-N 0 1 386.246 3.113 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2cnc(OC)c(Cl)c2)c1 ZINC000284319233 565849328 /nfs/dbraw/zinc/84/93/28/565849328.db2.gz LRUNKCZUFIGGKS-NEPJUHHUSA-N 0 1 383.901 3.064 20 0 GGADMN COC1CCC(N(C)C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000332636981 565850147 /nfs/dbraw/zinc/85/01/47/565850147.db2.gz WCBVGLOYGKZOLC-UHFFFAOYSA-N 0 1 393.281 3.320 20 0 GGADMN COC(=O)[C@]1(C)CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000177420795 565850349 /nfs/dbraw/zinc/85/03/49/565850349.db2.gz YPJOGVWCGKYMMX-QGZVFWFLSA-N 0 1 379.254 3.489 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000284356627 565850686 /nfs/dbraw/zinc/85/06/86/565850686.db2.gz YXACSAUTHIZUJO-HNNXBMFYSA-N 0 1 381.263 3.005 20 0 GGADMN CC(C)(C)c1nc(CNc2ccc(S(C)(=O)=O)cc2C(F)(F)F)n[nH]1 ZINC000413406558 565850754 /nfs/dbraw/zinc/85/07/54/565850754.db2.gz GQQNPNPDUYPFRC-UHFFFAOYSA-N 0 1 376.404 3.137 20 0 GGADMN CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000177467299 565853023 /nfs/dbraw/zinc/85/30/23/565853023.db2.gz XMWMOULYZIBFNN-INIZCTEOSA-N 0 1 381.973 3.304 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n[nH]1 ZINC000284428419 565853430 /nfs/dbraw/zinc/85/34/30/565853430.db2.gz JBPSBKMFSLBANA-CJNGLKHVSA-N 0 1 382.295 3.083 20 0 GGADMN CC(C)(C)c1ncc(CNC[C@@H](O)COc2ccccc2Br)cn1 ZINC000284432017 565853533 /nfs/dbraw/zinc/85/35/33/565853533.db2.gz SAHXEUHKIISWAV-CQSZACIVSA-N 0 1 394.313 3.066 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(Br)cc2nc[nH]c21 ZINC000332692695 565853957 /nfs/dbraw/zinc/85/39/57/565853957.db2.gz UUYHQRPWUJSJLX-HFBAOOFYSA-N 0 1 390.281 3.403 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)CSc2n[n-]c(=S)s2)CC[N@H+]1Cc1ccccc1 ZINC000177476372 565854252 /nfs/dbraw/zinc/85/42/52/565854252.db2.gz VDSOCXDVTRISAO-JSGCOSHPSA-N 0 1 394.591 3.462 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000284515755 565856180 /nfs/dbraw/zinc/85/61/80/565856180.db2.gz FBJBBWVSRFQPRC-MFKMUULPSA-N 0 1 399.676 3.131 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000177505897 565856350 /nfs/dbraw/zinc/85/63/50/565856350.db2.gz MOCHHNOOQMXNND-GHMZBOCLSA-N 0 1 379.810 3.278 20 0 GGADMN COC1(c2nc(CC(F)(F)F)no2)CCN(Cc2scnc2C)CC1 ZINC000284542642 565857151 /nfs/dbraw/zinc/85/71/51/565857151.db2.gz SJOZEQSBJPMPOO-UHFFFAOYSA-N 0 1 376.404 3.077 20 0 GGADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000332961765 565859762 /nfs/dbraw/zinc/85/97/62/565859762.db2.gz LUJDMFHLXJPMDJ-NHYWBVRUSA-N 0 1 377.286 3.480 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)c(Br)cc2C)C1 ZINC000284576304 565860250 /nfs/dbraw/zinc/86/02/50/565860250.db2.gz KOLBENOUGRVZQY-DOMZBBRYSA-N 0 1 393.285 3.095 20 0 GGADMN CC(C)OCC(C)(C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000413598291 565861781 /nfs/dbraw/zinc/86/17/81/565861781.db2.gz CGDSTVWQTVRPOV-UHFFFAOYSA-N 0 1 383.290 3.328 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1C[C@H]1c1ccco1 ZINC000413600761 565862676 /nfs/dbraw/zinc/86/26/76/565862676.db2.gz GTYDWQWUEZPWAK-BXKDBHETSA-N 0 1 375.226 3.274 20 0 GGADMN CCCCc1nc(CS(=O)(=O)c2n[nH]c(Cc3cccs3)n2)cs1 ZINC000195160100 565862817 /nfs/dbraw/zinc/86/28/17/565862817.db2.gz VIJUNASHFQUHAN-UHFFFAOYSA-N 0 1 382.536 3.230 20 0 GGADMN CO[C@@](C)([C@@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000413604653 565862847 /nfs/dbraw/zinc/86/28/47/565862847.db2.gz NAQFSYQXJCFZHY-QGHHPUGFSA-N 0 1 395.301 3.328 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(Br)s2)CCCN1C ZINC000284655213 565863311 /nfs/dbraw/zinc/86/33/11/565863311.db2.gz SYZBNVNRXKXLSR-XHDPSFHLSA-N 0 1 397.342 3.057 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1n[nH]c(Cc2cccs2)n1 ZINC000195162646 565864132 /nfs/dbraw/zinc/86/41/32/565864132.db2.gz CUSMQIOOSHEOLQ-UHFFFAOYSA-N 0 1 387.408 3.450 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000333078888 565865043 /nfs/dbraw/zinc/86/50/43/565865043.db2.gz AKYVOBWNMHMJJG-FRRDWIJNSA-N 0 1 378.270 3.092 20 0 GGADMN C[C@H]1CCCc2nc(S(=O)(=O)Nc3cc4c(cc3Cl)CCC4=O)cn21 ZINC000333097819 565865757 /nfs/dbraw/zinc/86/57/57/565865757.db2.gz BYNIAXQKVWUYLW-JTQLQIEISA-N 0 1 379.869 3.364 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2S(=O)(=O)C[C@@H]2CCCC2(F)F)n[nH]1 ZINC000333106554 565865869 /nfs/dbraw/zinc/86/58/69/565865869.db2.gz RBQYYFVEQSEDHV-STQMWFEESA-N 0 1 376.473 3.220 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)n[nH]1 ZINC000333106051 565865893 /nfs/dbraw/zinc/86/58/93/565865893.db2.gz RBQYYFVEQSEDHV-CHWSQXEVSA-N 0 1 376.473 3.220 20 0 GGADMN O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)NCc1cccs1 ZINC000284680307 565866004 /nfs/dbraw/zinc/86/60/04/565866004.db2.gz HIYVZBXRWLLQID-MRXNPFEDSA-N 0 1 380.311 3.263 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc3[nH]cnc32)cc1Br ZINC000177675292 565866389 /nfs/dbraw/zinc/86/63/89/565866389.db2.gz GHLJNHFCRPKZHK-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN Cc1c2cc(Cl)ccc2sc1CNC(=O)NCCN1CCCOCC1 ZINC000333116978 565866987 /nfs/dbraw/zinc/86/69/87/565866987.db2.gz UITARWDYLDMYGI-UHFFFAOYSA-N 0 1 381.929 3.385 20 0 GGADMN C[C@H](c1nccs1)N1CCN(C(=O)c2[nH]nc3ccc(Cl)cc32)CC1 ZINC000284742593 565867939 /nfs/dbraw/zinc/86/79/39/565867939.db2.gz QPLPMCPBJXRGGB-LLVKDONJSA-N 0 1 375.885 3.192 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]2C1 ZINC000333145232 565868051 /nfs/dbraw/zinc/86/80/51/565868051.db2.gz LQOBHERYKKGGIL-JBLDHEPKSA-N 0 1 384.299 3.153 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cc(Cl)cc(Br)c2)n[nH]1 ZINC000413697600 565868168 /nfs/dbraw/zinc/86/81/68/565868168.db2.gz GXYKJTSSTJZRJO-MRVPVSSYSA-N 0 1 386.681 3.343 20 0 GGADMN CCn1ccnc1[C@H](N[C@H](C)Cn1cc(Br)cn1)C1CCOCC1 ZINC000284761727 565869062 /nfs/dbraw/zinc/86/90/62/565869062.db2.gz WMBXCSOAWBVXGJ-CZUORRHYSA-N 0 1 396.333 3.008 20 0 GGADMN C[C@](N)(C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000195256129 565869683 /nfs/dbraw/zinc/86/96/83/565869683.db2.gz YXYSRUOGDINITE-PKOBYXMFSA-N 0 1 389.293 3.223 20 0 GGADMN C[C@](N)(C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000195256147 565869983 /nfs/dbraw/zinc/86/99/83/565869983.db2.gz YXYSRUOGDINITE-IEBWSBKVSA-N 0 1 389.293 3.223 20 0 GGADMN O=S(=O)([C@H]1CCCOC1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333195557 565870641 /nfs/dbraw/zinc/87/06/41/565870641.db2.gz TZSQVMJOVDYHBT-XJKSGUPXSA-N 0 1 383.901 3.252 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000333215378 565871592 /nfs/dbraw/zinc/87/15/92/565871592.db2.gz VKRVMURMHFHSJA-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCSc2ccc(F)cc21)NCc1ccccc1 ZINC000177768227 565872784 /nfs/dbraw/zinc/87/27/84/565872784.db2.gz HPKNKPDPTCUAHZ-QGZVFWFLSA-N 0 1 380.510 3.072 20 0 GGADMN O=C(NCc1ccc(Br)c(F)c1)c1c[nH]c2ccccc2c1=O ZINC000195277055 565873317 /nfs/dbraw/zinc/87/33/17/565873317.db2.gz IRXWADPSRDYANT-UHFFFAOYSA-N 0 1 375.197 3.360 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C(=O)OC)sc2C)cc1 ZINC000284852692 565874148 /nfs/dbraw/zinc/87/41/48/565874148.db2.gz UAOLMICKVROGTM-GFCCVEGCSA-N 0 1 381.519 3.488 20 0 GGADMN Cc1nc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)sc1C ZINC000333286996 565875916 /nfs/dbraw/zinc/87/59/16/565875916.db2.gz QRADBXDNXXAUFK-UHFFFAOYSA-N 0 1 379.551 3.045 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCc1cccs1 ZINC000195374834 565878893 /nfs/dbraw/zinc/87/88/93/565878893.db2.gz AGHGNEWRYLDIQK-UHFFFAOYSA-N 0 1 378.563 3.217 20 0 GGADMN CC(C)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000177877627 565879277 /nfs/dbraw/zinc/87/92/77/565879277.db2.gz TTZAKGKMCIFCLS-UHFFFAOYSA-N 0 1 378.475 3.433 20 0 GGADMN Cc1nc(C)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 ZINC000177896215 565880220 /nfs/dbraw/zinc/88/02/20/565880220.db2.gz ZDWUYSSJTQLVDJ-CYBMUJFWSA-N 0 1 379.551 3.395 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)C3CCC(C(F)(F)F)CC3)CC2)n[nH]1 ZINC000333402889 565880867 /nfs/dbraw/zinc/88/08/67/565880867.db2.gz IXADGNIXFATOEK-UHFFFAOYSA-N 0 1 379.448 3.348 20 0 GGADMN CN(C)C(=O)c1cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)ccn1 ZINC000177926145 565881032 /nfs/dbraw/zinc/88/10/32/565881032.db2.gz SMYZCHOZULMVLQ-UHFFFAOYSA-N 0 1 395.893 3.452 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2cc(Cl)cc(Br)c2)[nH]1 ZINC000413947448 565882273 /nfs/dbraw/zinc/88/22/73/565882273.db2.gz UFDHRIDSCHOLDI-UHFFFAOYSA-N 0 1 389.706 3.328 20 0 GGADMN O=S(=O)(N[C@@H]1CCOC2(CCCC2)C1)c1cc(C(F)(F)F)ccc1O ZINC000333464678 565883503 /nfs/dbraw/zinc/88/35/03/565883503.db2.gz VFPMNNUMIMSAIZ-GFCCVEGCSA-N 0 1 379.400 3.181 20 0 GGADMN Cc1cc(Br)ccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000195439613 565883602 /nfs/dbraw/zinc/88/36/02/565883602.db2.gz LWPPVLPEQNLWOZ-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN Cc1ccc(Br)cc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000195443851 565883618 /nfs/dbraw/zinc/88/36/18/565883618.db2.gz BCPNGQXSHXBZLV-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000333463368 565884013 /nfs/dbraw/zinc/88/40/13/565884013.db2.gz PZWSLYYSJGZTIF-SUMWQHHRSA-N 0 1 379.551 3.091 20 0 GGADMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000333564332 565888384 /nfs/dbraw/zinc/88/83/84/565888384.db2.gz XAOMUQLLFDGPLX-HIFRSBDPSA-N 0 1 389.297 3.229 20 0 GGADMN COc1ccc([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000178003722 565889101 /nfs/dbraw/zinc/88/91/01/565889101.db2.gz ZGSGPFKNKQTDRZ-LBPRGKRZSA-N 0 1 386.876 3.117 20 0 GGADMN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195505067 565889502 /nfs/dbraw/zinc/88/95/02/565889502.db2.gz DPZJSFDUKYOHCU-XMMPIXPASA-N 0 1 379.503 3.079 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C=Cc2cc(Cl)cc(Cl)c2)C1 ZINC000285107235 565889487 /nfs/dbraw/zinc/88/94/87/565889487.db2.gz ULCOJCPAPWRPGX-RYIMYRPNSA-N 0 1 381.263 3.422 20 0 GGADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195505065 565889546 /nfs/dbraw/zinc/88/95/46/565889546.db2.gz DPZJSFDUKYOHCU-DEOSSOPVSA-N 0 1 379.503 3.079 20 0 GGADMN C[NH+](C)C1CCN(c2ccc([N-]S(=O)(=O)c3ccsc3)cc2F)CC1 ZINC000285132098 565889905 /nfs/dbraw/zinc/88/99/05/565889905.db2.gz PXYJERDTAQUREI-UHFFFAOYSA-N 0 1 383.514 3.218 20 0 GGADMN Cc1nn(C)c(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1C ZINC000285132313 565890179 /nfs/dbraw/zinc/89/01/79/565890179.db2.gz QDIICDWEKQOFGF-UHFFFAOYSA-N 0 1 396.669 3.393 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333619312 565890158 /nfs/dbraw/zinc/89/01/58/565890158.db2.gz TXHRHVXZSJXOME-UHFFFAOYSA-N 0 1 389.297 3.035 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285164067 565890833 /nfs/dbraw/zinc/89/08/33/565890833.db2.gz SPTMCVUTFTZZHP-INIZCTEOSA-N 0 1 385.295 3.380 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333696964 565892636 /nfs/dbraw/zinc/89/26/36/565892636.db2.gz DHJNCLVPFSOESK-GOEBONIOSA-N 0 1 392.297 3.339 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(C3SCCS3)cc2)C[C@@H](C)O1 ZINC000198903833 565893555 /nfs/dbraw/zinc/89/35/55/565893555.db2.gz IGHUTWIUTSQZEX-HUUCEWRRSA-N 0 1 380.579 3.394 20 0 GGADMN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Sc2nnc(C)s2)cc1C ZINC000285260865 565897072 /nfs/dbraw/zinc/89/70/72/565897072.db2.gz XLGHYHZPWSEJLG-UHFFFAOYSA-N 0 1 395.535 3.149 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178120583 565897653 /nfs/dbraw/zinc/89/76/53/565897653.db2.gz LSHHLUZKPHQXFO-INIZCTEOSA-N 0 1 382.957 3.393 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000414137613 565898410 /nfs/dbraw/zinc/89/84/10/565898410.db2.gz GARMKHPUHOPIAF-CZIZLABSSA-N 0 1 381.245 3.250 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178125617 565898772 /nfs/dbraw/zinc/89/87/72/565898772.db2.gz JLQVTDXDAOJENS-IMJJTQAJSA-N 0 1 383.319 3.278 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178125625 565899088 /nfs/dbraw/zinc/89/90/88/565899088.db2.gz JLQVTDXDAOJENS-CWRNSKLLSA-N 0 1 383.319 3.278 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000414157709 565899275 /nfs/dbraw/zinc/89/92/75/565899275.db2.gz SAWXNGTWKXTJEC-GHMZBOCLSA-N 0 1 382.327 3.295 20 0 GGADMN C[C@@H](NCCOc1ccc(I)cc1)c1cc2n(n1)CCC2 ZINC000414157552 565899451 /nfs/dbraw/zinc/89/94/51/565899451.db2.gz WLOYNPAIWBYZJV-GFCCVEGCSA-N 0 1 397.260 3.164 20 0 GGADMN C[C@H](NCCOc1ccc(I)cc1)c1cc2n(n1)CCC2 ZINC000414157553 565899673 /nfs/dbraw/zinc/89/96/73/565899673.db2.gz WLOYNPAIWBYZJV-LBPRGKRZSA-N 0 1 397.260 3.164 20 0 GGADMN Fc1cc(CN2CCN(CCc3cccnc3)CC2)ccc1Br ZINC000178136877 565899743 /nfs/dbraw/zinc/89/97/43/565899743.db2.gz RTIGZWONHNBSHH-UHFFFAOYSA-N 0 1 378.289 3.344 20 0 GGADMN Cc1nc2sccn2c(=O)c1CCN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000285310568 565899909 /nfs/dbraw/zinc/89/99/09/565899909.db2.gz MTTJUONFOILQCS-VIFPVBQESA-N 0 1 388.440 3.433 20 0 GGADMN Cc1c([C@H](C)NCCS(C)(=O)=O)cnn1-c1ccc(Cl)cc1Cl ZINC000178135033 565900101 /nfs/dbraw/zinc/90/01/01/565900101.db2.gz YOYQUMYYBHIWLN-JTQLQIEISA-N 0 1 376.309 3.183 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc(Cl)ccc1Cl ZINC000178142803 565900850 /nfs/dbraw/zinc/90/08/50/565900850.db2.gz WMLBLDPAGUHJNW-UHFFFAOYSA-N 0 1 392.285 3.124 20 0 GGADMN COc1ccc([C@H](CO)CN[C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000414186194 565901644 /nfs/dbraw/zinc/90/16/44/565901644.db2.gz PEHGIDBPQUMBPG-AAEUAGOBSA-N 0 1 383.261 3.419 20 0 GGADMN CO[C@@H]1C[C@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C12CCC2 ZINC000414179368 565901872 /nfs/dbraw/zinc/90/18/72/565901872.db2.gz KQCOZAOUUCOXJQ-TURNYIBQSA-N 0 1 393.336 3.249 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2cc(C)on2)c1 ZINC000285369789 565903847 /nfs/dbraw/zinc/90/38/47/565903847.db2.gz VWUKYBFLUWVWRJ-LBPRGKRZSA-N 0 1 396.285 3.225 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cscc1Br ZINC000285388560 565904804 /nfs/dbraw/zinc/90/48/04/565904804.db2.gz DIKPFGOWBMVWDV-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN CN(C)[C@@H](CNCc1ncc(I)s1)c1ccsc1 ZINC000285397440 565904971 /nfs/dbraw/zinc/90/49/71/565904971.db2.gz HXSXBSWSWZJTLP-JTQLQIEISA-N 0 1 393.319 3.202 20 0 GGADMN CO[C@@](C)([C@@H](C)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000414232592 565905331 /nfs/dbraw/zinc/90/53/31/565905331.db2.gz IDWNHWRJPJMKOD-IEVXNVSRSA-N 0 1 395.352 3.495 20 0 GGADMN CO[C@@](C)([C@@H](C)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000414232597 565905563 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COCCOc1cc(NS(=O)(=O)c2c(C)cccc2Cl)ccc1OC ZINC000414375059 565917132 /nfs/dbraw/zinc/91/71/32/565917132.db2.gz WMWRLRRBVRJBGO-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN Cc1ccc(OC(F)F)c(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414376060 565918911 /nfs/dbraw/zinc/91/89/11/565918911.db2.gz GUDLXAGOXKBPFY-UHFFFAOYSA-N 0 1 390.839 3.187 20 0 GGADMN CCC[C@@]1(NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCOC1 ZINC000285657549 565919406 /nfs/dbraw/zinc/91/94/06/565919406.db2.gz SRHNMSNJDBFDQE-GOSISDBHSA-N 0 1 380.535 3.262 20 0 GGADMN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)nn1 ZINC000414381354 565919841 /nfs/dbraw/zinc/91/98/41/565919841.db2.gz LQGCFLDCJATXEG-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CCOC(=O)CC1(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000414384328 565920585 /nfs/dbraw/zinc/92/05/85/565920585.db2.gz PLMGPNIMHIZEOR-UHFFFAOYSA-N 0 1 397.827 3.211 20 0 GGADMN Cc1nn(C)c(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)c1C(F)F ZINC000414384682 565921333 /nfs/dbraw/zinc/92/13/33/565921333.db2.gz QAWWGLIQVVBRHN-UHFFFAOYSA-N 0 1 384.330 3.189 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000178501921 565921463 /nfs/dbraw/zinc/92/14/63/565921463.db2.gz FUFDYJRVIXBPLF-KRWDZBQOSA-N 0 1 380.510 3.403 20 0 GGADMN Cc1nnc(COCC(=O)Nc2cc(Br)cc(Cl)c2O)s1 ZINC000285705836 565921530 /nfs/dbraw/zinc/92/15/30/565921530.db2.gz DJFWKNWGPMKVAW-UHFFFAOYSA-N 0 1 392.662 3.123 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000178502514 565922453 /nfs/dbraw/zinc/92/24/53/565922453.db2.gz ABKHCFLGLPSVPQ-LJQANCHMSA-N 0 1 376.547 3.057 20 0 GGADMN C[C@H](NCc1ccc(F)cc1Br)c1ccc(-n2cnnn2)cc1 ZINC000178507513 565922708 /nfs/dbraw/zinc/92/27/08/565922708.db2.gz VVIVUWGHCVBPKU-NSHDSACASA-N 0 1 376.233 3.415 20 0 GGADMN C[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1nnc[nH]1 ZINC000178524618 565924948 /nfs/dbraw/zinc/92/49/48/565924948.db2.gz DRYGVNWAJCXBLT-QMMMGPOBSA-N 0 1 382.207 3.170 20 0 GGADMN CCN(CC)[C@H](CN1C(=O)[C@@H]2CSCCN2C1=O)c1ccccc1Cl ZINC000349274699 565925279 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565928600 /nfs/dbraw/zinc/92/86/00/565928600.db2.gz WHFRKGDDVPTPMO-ONGXEEELSA-N 0 1 378.108 3.247 20 0 GGADMN O[C@H]1CCC[C@@H](CNCc2ncc(Br)cc2Br)C1 ZINC000230556330 565928707 /nfs/dbraw/zinc/92/87/07/565928707.db2.gz WHFRKGDDVPTPMO-KOLCDFICSA-N 0 1 378.108 3.247 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2cnc(C3CCCC3)s2)cc1 ZINC000178619490 565929348 /nfs/dbraw/zinc/92/93/48/565929348.db2.gz IKPRVYNNKQDAHC-UHFFFAOYSA-N 0 1 379.551 3.177 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000414437098 565932136 /nfs/dbraw/zinc/93/21/36/565932136.db2.gz BFVGHVFIBGAPLL-UHFFFAOYSA-N 0 1 380.897 3.281 20 0 GGADMN Cc1nnc(COCC(=O)Nc2cc(Cl)cc(Br)c2O)s1 ZINC000285906827 565933057 /nfs/dbraw/zinc/93/30/57/565933057.db2.gz YTQAYEPHGVHTEO-UHFFFAOYSA-N 0 1 392.662 3.123 20 0 GGADMN CC(C)[C@@H]1OCCC[C@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000178693421 565933692 /nfs/dbraw/zinc/93/36/92/565933692.db2.gz FOKSKHJPYLEMEO-UVBJJODRSA-N 0 1 387.293 3.155 20 0 GGADMN COCc1ncc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)s1 ZINC000285931398 565934033 /nfs/dbraw/zinc/93/40/33/565934033.db2.gz IUHHSUCOWKILJJ-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN COc1cc(OC)c(S(=O)(=O)Nc2cccc3c2CN(C)C3)cc1Cl ZINC000414448851 565935301 /nfs/dbraw/zinc/93/53/01/565935301.db2.gz BUXOUQIQNLCVTM-UHFFFAOYSA-N 0 1 382.869 3.103 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cn4ccc(Br)cc4n3)CC2)n[nH]1 ZINC000285945335 565935229 /nfs/dbraw/zinc/93/52/29/565935229.db2.gz YZMZKKFXKDQGIT-UHFFFAOYSA-N 0 1 388.269 3.148 20 0 GGADMN CC(C)c1[nH]nc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c1Br ZINC000350346348 565936368 /nfs/dbraw/zinc/93/63/68/565936368.db2.gz BWCNLPUEDJERAW-QFYYESIMSA-N 0 1 396.289 3.271 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2cncc(Cl)c2Br)cn1C ZINC000414454531 565936565 /nfs/dbraw/zinc/93/65/65/565936565.db2.gz RBTGZRWPTOCJKL-UHFFFAOYSA-N 0 1 393.694 3.155 20 0 GGADMN CNC(=O)Nc1cccc(NS(=O)(=O)c2cccc(C)c2Br)c1 ZINC000178796166 565937403 /nfs/dbraw/zinc/93/74/03/565937403.db2.gz OBCHOVXCRGREDB-UHFFFAOYSA-N 0 1 398.282 3.310 20 0 GGADMN O=C(CN1CCN([C@H]2C=CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000178800677 565938752 /nfs/dbraw/zinc/93/87/52/565938752.db2.gz PAFPXWLRXYTHOC-KRWDZBQOSA-N 0 1 378.314 3.114 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(CN)o2)CC1 ZINC000178821790 565939200 /nfs/dbraw/zinc/93/92/00/565939200.db2.gz FXOMPDKFEJYWIM-ZDUSSCGKSA-N 0 1 392.297 3.020 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccccc2C(C)(C)C)c1S(C)(=O)=O ZINC000414473720 565940617 /nfs/dbraw/zinc/94/06/17/565940617.db2.gz RAAHIKHSINDWML-UHFFFAOYSA-N 0 1 381.519 3.497 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1S(C)(=O)=O ZINC000414478892 565941900 /nfs/dbraw/zinc/94/19/00/565941900.db2.gz QFYJJXUAOYNBJE-UHFFFAOYSA-N 0 1 379.503 3.078 20 0 GGADMN O=C1C[C@@H](NCc2ccc(Br)s2)CN1CCOc1ccccc1 ZINC000236706483 565942483 /nfs/dbraw/zinc/94/24/83/565942483.db2.gz XPKWARPTORXBOD-CYBMUJFWSA-N 0 1 395.322 3.280 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc([S@](C)=O)cc2)c1 ZINC000414495401 565942649 /nfs/dbraw/zinc/94/26/49/565942649.db2.gz NPSSPAIWYBMIND-QHCPKHFHSA-N 0 1 385.938 3.161 20 0 GGADMN COC(=O)[C@@H](CC1CC1)NC1CCN(Cc2ccccc2Br)CC1 ZINC000414496753 565942908 /nfs/dbraw/zinc/94/29/08/565942908.db2.gz ZJXLBKLIRHZYIR-GOSISDBHSA-N 0 1 395.341 3.345 20 0 GGADMN O=C(c1ccccc1OCc1ccc(Br)cc1)N1CCNCC1 ZINC000236710606 565942848 /nfs/dbraw/zinc/94/28/48/565942848.db2.gz VQIZCQHABABGMN-UHFFFAOYSA-N 0 1 375.266 3.074 20 0 GGADMN O=C1C[C@H](NCc2ccc(Br)s2)CN1CCOc1ccccc1 ZINC000236705080 565942909 /nfs/dbraw/zinc/94/29/09/565942909.db2.gz XPKWARPTORXBOD-ZDUSSCGKSA-N 0 1 395.322 3.280 20 0 GGADMN CCCOc1c(Br)cc(CN2CC[C@H](C(=O)N(C)C)C2)cc1OC ZINC000414496074 565942944 /nfs/dbraw/zinc/94/29/44/565942944.db2.gz IAAXNCGGWMMZLU-AWEZNQCLSA-N 0 1 399.329 3.157 20 0 GGADMN CO[C@@](C)([C@@H](C)NCc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000414500259 565943321 /nfs/dbraw/zinc/94/33/21/565943321.db2.gz LBDGAJVKCRBBKH-PXAZEXFGSA-N 0 1 379.302 3.323 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)Cc2nc(-c3cccs3)no2)c1Br ZINC000286123423 565943956 /nfs/dbraw/zinc/94/39/56/565943956.db2.gz YKGYNTOTYGMVFE-UHFFFAOYSA-N 0 1 396.270 3.118 20 0 GGADMN CCn1cnc2c(c1=O)CCN(CCCc1ccccc1Br)C2 ZINC000286154921 565944843 /nfs/dbraw/zinc/94/48/43/565944843.db2.gz NUJGTCLDSKTIJD-UHFFFAOYSA-N 0 1 376.298 3.017 20 0 GGADMN CC[C@H](NCc1c(Br)cncc1Br)[C@H](O)C(C)C ZINC000414526606 565945018 /nfs/dbraw/zinc/94/50/18/565945018.db2.gz LJSNYXVKQSVJLD-QWHCGFSZSA-N 0 1 380.124 3.492 20 0 GGADMN CC(C)(CCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)S(C)(=O)=O ZINC000414520060 565945601 /nfs/dbraw/zinc/94/56/01/565945601.db2.gz YTBGVDRXUIAPIF-INIZCTEOSA-N 0 1 389.945 3.201 20 0 GGADMN COC1(c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)CCCCC1 ZINC000351126848 565946367 /nfs/dbraw/zinc/94/63/67/565946367.db2.gz ASFXQIKWZVZYIG-UHFFFAOYSA-N 0 1 391.902 3.069 20 0 GGADMN O[C@@H]1[C@@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCCC1(F)F ZINC000414540304 565946341 /nfs/dbraw/zinc/94/63/41/565946341.db2.gz UIKLKBOMQFXYQW-SWLSCSKDSA-N 0 1 386.240 3.478 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cccc(OC(F)F)c2)c(C)s1 ZINC000178941825 565947832 /nfs/dbraw/zinc/94/78/32/565947832.db2.gz HRZZNSKSRFQWHY-UHFFFAOYSA-N 0 1 390.477 3.034 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414555873 565947822 /nfs/dbraw/zinc/94/78/22/565947822.db2.gz UVABYOZDANOWKN-OAHLLOKOSA-N 0 1 381.314 3.435 20 0 GGADMN COC(=O)[C@H]1CSCCN(Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000414573934 565949816 /nfs/dbraw/zinc/94/98/16/565949816.db2.gz ZUHYUHUEQNXTNE-CQSZACIVSA-N 0 1 379.913 3.079 20 0 GGADMN C[N@@H+](CCCC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000414642783 565953653 /nfs/dbraw/zinc/95/36/53/565953653.db2.gz WJHKGFGWEFMBOE-UHFFFAOYSA-N 0 1 380.080 3.090 20 0 GGADMN CCS(=O)(=O)NCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000237054040 565950479 /nfs/dbraw/zinc/95/04/79/565950479.db2.gz YZEIHTQVOYFYKH-UHFFFAOYSA-N 0 1 377.293 3.282 20 0 GGADMN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H](N)C(C)(C)C ZINC000237102946 565950496 /nfs/dbraw/zinc/95/04/96/565950496.db2.gz JJJXFAJMZBNILS-CYBMUJFWSA-N 0 1 379.810 3.129 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)n[nH]1 ZINC000286256020 565950612 /nfs/dbraw/zinc/95/06/12/565950612.db2.gz FGQVEILMQXANKR-LURJTMIESA-N 0 1 393.163 3.265 20 0 GGADMN CC[C@@](CNCc1c(Br)c(C)nn1C)(C(=O)OC)c1ccccc1 ZINC000414586364 565950644 /nfs/dbraw/zinc/95/06/44/565950644.db2.gz LBRKFPTTZFZXBN-SFHVURJKSA-N 0 1 394.313 3.102 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Br)CCN1 ZINC000414690418 565955720 /nfs/dbraw/zinc/95/57/20/565955720.db2.gz HXTFMZRARIPOSO-QMMMGPOBSA-N 0 1 377.080 3.037 20 0 GGADMN CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373153 565956072 /nfs/dbraw/zinc/95/60/72/565956072.db2.gz YTJNBSKMPGVICX-QWRGUYRKSA-N 0 1 381.523 3.256 20 0 GGADMN CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373166 565956115 /nfs/dbraw/zinc/95/61/15/565956115.db2.gz YTJNBSKMPGVICX-WDEREUQCSA-N 0 1 381.523 3.256 20 0 GGADMN Cc1cc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)sc1Br ZINC000286369867 565956330 /nfs/dbraw/zinc/95/63/30/565956330.db2.gz GGKBGHYOOGDOCL-PWSUYJOCSA-N 0 1 383.315 3.009 20 0 GGADMN COc1ccc(Br)c(CNCCNC(=O)c2ccc(C)cc2)c1 ZINC000237326695 565956568 /nfs/dbraw/zinc/95/65/68/565956568.db2.gz CVIQGAFBKGUVDB-UHFFFAOYSA-N 0 1 377.282 3.286 20 0 GGADMN COc1ccc(Br)c(CNC[C@@H](O)COc2cccc(C)c2)c1 ZINC000237327007 565957165 /nfs/dbraw/zinc/95/71/65/565957165.db2.gz OQSOSPQMBDCRSK-OAHLLOKOSA-N 0 1 380.282 3.296 20 0 GGADMN CO[C@H](CC(C)C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000414736702 565958081 /nfs/dbraw/zinc/95/80/81/565958081.db2.gz YLLJYPGIDVQHLE-QGZVFWFLSA-N 0 1 398.345 3.201 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000286448253 565960067 /nfs/dbraw/zinc/96/00/67/565960067.db2.gz MEXFCCHGMMVJSQ-CZUORRHYSA-N 0 1 387.293 3.002 20 0 GGADMN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCNC[C@H]1C ZINC000237452188 565960438 /nfs/dbraw/zinc/96/04/38/565960438.db2.gz ZBDUDYXFMHJKBE-OLZOCXBDSA-N 0 1 379.913 3.437 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2Br)n[nH]1 ZINC000286475122 565962183 /nfs/dbraw/zinc/96/21/83/565962183.db2.gz UMQNEOHNNAELRG-MRVPVSSYSA-N 0 1 387.665 3.175 20 0 GGADMN CC(C)C[C@@H](CN[C@@H](C)c1ncc(Br)s1)N1CCOCC1 ZINC000179196900 565964484 /nfs/dbraw/zinc/96/44/84/565964484.db2.gz CCMITFPDSBCCLX-STQMWFEESA-N 0 1 376.364 3.303 20 0 GGADMN C[C@H](NC1CCN(C(=O)c2ccoc2)CC1)c1ncc(Br)s1 ZINC000179201011 565964571 /nfs/dbraw/zinc/96/45/71/565964571.db2.gz BCIUZPCQKCCKFL-JTQLQIEISA-N 0 1 384.299 3.454 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1C ZINC000286522094 565964542 /nfs/dbraw/zinc/96/45/42/565964542.db2.gz QTTBBOHJERIUBQ-HNNXBMFYSA-N 0 1 396.329 3.077 20 0 GGADMN C[C@H](NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncc(Br)s1 ZINC000179217675 565965910 /nfs/dbraw/zinc/96/59/10/565965910.db2.gz PVGKURLTABXYTQ-XQQFMLRXSA-N 0 1 376.364 3.446 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CCN1 ZINC000237637358 565966643 /nfs/dbraw/zinc/96/66/43/565966643.db2.gz VDWKLFWZFBPGNO-GFCCVEGCSA-N 0 1 392.322 3.429 20 0 GGADMN Cc1nc(CCC(=O)N2CCN[C@@H](C)C2)oc1-c1ccc(Br)cc1 ZINC000237732424 565968674 /nfs/dbraw/zinc/96/86/74/565968674.db2.gz UMOHFLAQWDXWFI-LBPRGKRZSA-N 0 1 392.297 3.165 20 0 GGADMN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN[C@@H](C)C1 ZINC000237754697 565969795 /nfs/dbraw/zinc/96/97/95/565969795.db2.gz XNNCECCDVPBXSS-QWHCGFSZSA-N 0 1 379.913 3.437 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1Br ZINC000286611255 565970197 /nfs/dbraw/zinc/97/01/97/565970197.db2.gz XDDFOQSNFXBHEY-CQSZACIVSA-N 0 1 399.329 3.347 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CCN1 ZINC000415066303 565971635 /nfs/dbraw/zinc/97/16/35/565971635.db2.gz AJJKMWKJMYOZCY-GFCCVEGCSA-N 0 1 391.269 3.462 20 0 GGADMN C[C@H](CNc1ccc(Br)cn1)N1CCN(c2ccccc2)CC1 ZINC000606893404 565971834 /nfs/dbraw/zinc/97/18/34/565971834.db2.gz RCRWCTFPTLTNBF-OAHLLOKOSA-N 0 1 375.314 3.467 20 0 GGADMN Cc1cc(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)on1 ZINC000179318321 565972836 /nfs/dbraw/zinc/97/28/36/565972836.db2.gz CKVQFMVQIWCEAR-UHFFFAOYSA-N 0 1 383.626 3.017 20 0 GGADMN O=C(C=Cc1cc(Br)ccc1F)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179346128 565975311 /nfs/dbraw/zinc/97/53/11/565975311.db2.gz OWJWDMHYNPSUOF-BTKRWWFXSA-N 0 1 379.233 3.473 20 0 GGADMN O=C(C=Cc1cc(Br)ccc1F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179346140 565975468 /nfs/dbraw/zinc/97/54/68/565975468.db2.gz OWJWDMHYNPSUOF-GBXSZLQWSA-N 0 1 379.233 3.473 20 0 GGADMN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237933196 565975707 /nfs/dbraw/zinc/97/57/07/565975707.db2.gz PLRZVKRRNKYFKB-QPUJVOFHSA-N 0 1 399.713 3.037 20 0 GGADMN O=c1[nH]c(NCC2(c3ccc(Br)s3)CCC2)nc2[nH]ncc21 ZINC000286706307 565975818 /nfs/dbraw/zinc/97/58/18/565975818.db2.gz YWZNSMDSIMTUTC-UHFFFAOYSA-N 0 1 380.271 3.416 20 0 GGADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000286707189 565976028 /nfs/dbraw/zinc/97/60/28/565976028.db2.gz JOVLPZPWXJFGTK-SNVBAGLBSA-N 0 1 384.713 3.287 20 0 GGADMN OC[C@@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC[C@H]1C(F)(F)F ZINC000286716117 565976092 /nfs/dbraw/zinc/97/60/92/565976092.db2.gz WYHRDEKEABWYQU-NWANDNLSSA-N 0 1 376.806 3.326 20 0 GGADMN Cc1nnc(NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000179363776 565976713 /nfs/dbraw/zinc/97/67/13/565976713.db2.gz DCOKDLDYLREPNU-SMDDNHRTSA-N 0 1 383.880 3.454 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2cccc(Br)c2Cl)[C@@H](C)C1 ZINC000286740874 565977463 /nfs/dbraw/zinc/97/74/63/565977463.db2.gz KUNVYLMMDHFERF-WDEREUQCSA-N 0 1 390.709 3.021 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CNCc1ncc(I)s1 ZINC000286755188 565978259 /nfs/dbraw/zinc/97/82/59/565978259.db2.gz YZWUZRLOPFQHAA-ZETCQYMHSA-N 0 1 377.251 3.246 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2nccs2)c1 ZINC000179427462 565980697 /nfs/dbraw/zinc/98/06/97/565980697.db2.gz ZQWYFDOATFCALY-NSHDSACASA-N 0 1 398.326 3.385 20 0 GGADMN CNS(=O)(=O)c1ccc(NC[C@H](c2ccccc2Cl)N(C)C)c(F)c1 ZINC000179455691 565981414 /nfs/dbraw/zinc/98/14/14/565981414.db2.gz KJPFDHKQVBQONH-QGZVFWFLSA-N 0 1 385.892 3.102 20 0 GGADMN C[C@H]1CC(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C[C@H](C)O1 ZINC000179520186 565986904 /nfs/dbraw/zinc/98/69/04/565986904.db2.gz NKXOJCAAJBKFBL-QWRGUYRKSA-N 0 1 393.285 3.054 20 0 GGADMN C[C@H]1CC(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@H](C)O1 ZINC000179520186 565986905 /nfs/dbraw/zinc/98/69/05/565986905.db2.gz NKXOJCAAJBKFBL-QWRGUYRKSA-N 0 1 393.285 3.054 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415314563 565987108 /nfs/dbraw/zinc/98/71/08/565987108.db2.gz XSVHSPJMHHFIRD-CYBMUJFWSA-N 0 1 383.283 3.180 20 0 GGADMN O=S(=O)(Cc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000244304840 565987300 /nfs/dbraw/zinc/98/73/00/565987300.db2.gz WZXRRNPJCMTJLP-UHFFFAOYSA-N 0 1 378.925 3.424 20 0 GGADMN COc1cc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc(Br)c1OC ZINC000245203040 565987342 /nfs/dbraw/zinc/98/73/42/565987342.db2.gz YRGNJWGNRSRWMI-FRRDWIJNSA-N 0 1 399.329 3.344 20 0 GGADMN C[C@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201121 565987443 /nfs/dbraw/zinc/98/74/43/565987443.db2.gz FRWALGCYYAITCO-XJFOESAGSA-N 0 1 389.323 3.111 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000245421748 565988727 /nfs/dbraw/zinc/98/87/27/565988727.db2.gz OGUOWZHSCICZFE-QWHCGFSZSA-N 0 1 386.612 3.406 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286994759 565991136 /nfs/dbraw/zinc/99/11/36/565991136.db2.gz JTKNITIWYOOWNX-FZKQIMNGSA-N 0 1 382.913 3.022 20 0 GGADMN CN(CCCN(C)C(=O)Nc1cccnc1Br)Cc1ccco1 ZINC000287017880 565992621 /nfs/dbraw/zinc/99/26/21/565992621.db2.gz HXIBHAXBODMBBB-UHFFFAOYSA-N 0 1 381.274 3.423 20 0 GGADMN CC(C)(NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1 ZINC000179605626 565992864 /nfs/dbraw/zinc/99/28/64/565992864.db2.gz KJYMGDREGCWYRY-UHFFFAOYSA-N 0 1 380.897 3.207 20 0 GGADMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000179625732 565994046 /nfs/dbraw/zinc/99/40/46/565994046.db2.gz MZGZGZPPPIRZIZ-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363170494 565994193 /nfs/dbraw/zinc/99/41/93/565994193.db2.gz IWMILLVZMRDTIC-ZETCQYMHSA-N 0 1 393.968 3.234 20 0 GGADMN CN(Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCCC[C@H]1O ZINC000245526878 565994542 /nfs/dbraw/zinc/99/45/42/565994542.db2.gz AUTLJQREKXPWQM-IUODEOHRSA-N 0 1 380.286 3.482 20 0 GGADMN COCCOC[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000245526318 565994582 /nfs/dbraw/zinc/99/45/82/565994582.db2.gz AMBLUXRICNCHOT-DYVFJYSZSA-N 0 1 387.307 3.084 20 0 GGADMN NC(=O)CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000245528853 565994712 /nfs/dbraw/zinc/99/47/12/565994712.db2.gz BOLGCDGWYSJISM-BLLLJJGKSA-N 0 1 384.307 3.076 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000245595675 565996967 /nfs/dbraw/zinc/99/69/67/565996967.db2.gz CARLXAULLOSULY-ZNMIVQPWSA-N 0 1 375.270 3.425 20 0 GGADMN CCN(CC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)C1CC1 ZINC000245615547 565998257 /nfs/dbraw/zinc/99/82/57/565998257.db2.gz MOGMJYLIXRWKLU-ACJLOTCBSA-N 0 1 381.314 3.222 20 0 GGADMN O[C@H](CN1CCC[C@@H](c2nnc3n2CCC3)C1)c1ccc(Cl)cc1Cl ZINC000245644421 565999723 /nfs/dbraw/zinc/99/97/23/565999723.db2.gz LEPCQENHSVVPRF-MLGOLLRUSA-N 0 1 381.307 3.444 20 0 GGADMN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287136735 565999825 /nfs/dbraw/zinc/99/98/25/565999825.db2.gz ZSVMUXYTTCSVOZ-SECBINFHSA-N 0 1 376.812 3.053 20 0 GGADMN C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)[C@H]1COc2ccccc21 ZINC000245669381 566000021 /nfs/dbraw/zinc/00/00/21/566000021.db2.gz JNOAXCJHVRTWPR-UXEPBGEESA-N 0 1 375.266 3.130 20 0 GGADMN O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179705378 566001676 /nfs/dbraw/zinc/00/16/76/566001676.db2.gz WCRWYUWCANRGGT-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN CCO[C@@H]1C[C@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C12CCCC2 ZINC000245699117 566002114 /nfs/dbraw/zinc/00/21/14/566002114.db2.gz QIXGWCNLGDTKFW-ARFHVFGLSA-N 0 1 381.314 3.303 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CCN1 ZINC000415523283 566003512 /nfs/dbraw/zinc/00/35/12/566003512.db2.gz PJPGBXGHMFUHGH-UHFFFAOYSA-N 0 1 382.295 3.454 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)c2ccc(Br)cc2)C1 ZINC000245743167 566005231 /nfs/dbraw/zinc/00/52/31/566005231.db2.gz MHYULKSQPBCERC-RHSMWYFYSA-N 0 1 383.330 3.026 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)cc1F ZINC000179760747 566006742 /nfs/dbraw/zinc/00/67/42/566006742.db2.gz XCKDSPISWCTQTR-UHFFFAOYSA-N 0 1 379.331 3.418 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000245831410 566007452 /nfs/dbraw/zinc/00/74/52/566007452.db2.gz GJTRFAPNNMGGSD-STQMWFEESA-N 0 1 385.316 3.420 20 0 GGADMN CC(C)(C)OCc1cc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)no1 ZINC000287262541 566008210 /nfs/dbraw/zinc/00/82/10/566008210.db2.gz HUVCBZBJFUIQRN-UHFFFAOYSA-N 0 1 394.827 3.400 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000363496182 566008719 /nfs/dbraw/zinc/00/87/19/566008719.db2.gz ODNOSUUWHHQMRX-OAHLLOKOSA-N 0 1 383.334 3.074 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000245894670 566009215 /nfs/dbraw/zinc/00/92/15/566009215.db2.gz CUHPMAUMKIUMCH-WMLDXEAASA-N 0 1 398.320 3.256 20 0 GGADMN C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)s1 ZINC000245887480 566009275 /nfs/dbraw/zinc/00/92/75/566009275.db2.gz OBADKZZWQCKJOO-NUEKZKHPSA-N 0 1 378.925 3.257 20 0 GGADMN C[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)s1 ZINC000245887480 566009277 /nfs/dbraw/zinc/00/92/77/566009277.db2.gz OBADKZZWQCKJOO-NUEKZKHPSA-N 0 1 378.925 3.257 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000245869576 566009454 /nfs/dbraw/zinc/00/94/54/566009454.db2.gz LTYMPNLTHFRVRS-JKSUJKDBSA-N 0 1 379.287 3.359 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000415628914 566009531 /nfs/dbraw/zinc/00/95/31/566009531.db2.gz HABJABXDJQMJBD-BETUJISGSA-N 0 1 381.929 3.132 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCC(C)(C)c2ccc(Br)cc2)n[nH]1 ZINC000287328929 566011034 /nfs/dbraw/zinc/01/10/34/566011034.db2.gz OPNJIZMSICOUJA-SNVBAGLBSA-N 0 1 380.290 3.214 20 0 GGADMN COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)nc1 ZINC000179818900 566011005 /nfs/dbraw/zinc/01/10/05/566011005.db2.gz YTOOUPRQFXVMEI-UHFFFAOYSA-N 0 1 385.601 3.242 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)C2(c3ccc(Br)cc3)CCC2)n1 ZINC000415638793 566011289 /nfs/dbraw/zinc/01/12/89/566011289.db2.gz OXTDAHOFBUCQRP-UHFFFAOYSA-N 0 1 392.253 3.409 20 0 GGADMN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2F)s1 ZINC000179828418 566011510 /nfs/dbraw/zinc/01/15/10/566011510.db2.gz AMUBVURFHVEKAS-UHFFFAOYSA-N 0 1 384.498 3.393 20 0 GGADMN C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000179833338 566011711 /nfs/dbraw/zinc/01/17/11/566011711.db2.gz CSZQVZBCQIQAHL-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN C[C@H](NCc1nc(Cc2cccc(Br)c2)no1)C1CCOCC1 ZINC000179842946 566012258 /nfs/dbraw/zinc/01/22/58/566012258.db2.gz CVFYXKYMZYSZMD-LBPRGKRZSA-N 0 1 380.286 3.328 20 0 GGADMN O=C(c1cc(F)ccc1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000363592874 566012524 /nfs/dbraw/zinc/01/25/24/566012524.db2.gz RUMFIWYNHCLBMM-UHFFFAOYSA-N 0 1 399.304 3.163 20 0 GGADMN O[C@@H](COC1CCOCC1)CN1CCC[C@H]1c1ccccc1Br ZINC000363611466 566012855 /nfs/dbraw/zinc/01/28/55/566012855.db2.gz IKTIXOCXJCHSDZ-KDOFPFPSSA-N 0 1 384.314 3.143 20 0 GGADMN CCN(C(=O)c1c[nH]c2ccc(I)cc2c1=O)C(C)C ZINC000179862961 566013149 /nfs/dbraw/zinc/01/31/49/566013149.db2.gz LGSDGWVTLRFCAP-UHFFFAOYSA-N 0 1 384.217 3.003 20 0 GGADMN O=S(=O)(NC1CCN(Cc2coc3ccccc23)CC1)c1cccs1 ZINC000179872060 566014105 /nfs/dbraw/zinc/01/41/05/566014105.db2.gz PMBKURCDOIKWHT-UHFFFAOYSA-N 0 1 376.503 3.437 20 0 GGADMN CC[C@H](C)[C@@H](C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179869760 566014141 /nfs/dbraw/zinc/01/41/41/566014141.db2.gz ILGLROYTDVNOAJ-VHSXEESVSA-N 0 1 398.244 3.297 20 0 GGADMN CCC[C@@H](CC)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179875862 566014368 /nfs/dbraw/zinc/01/43/68/566014368.db2.gz PRAYTDBRRJAMSY-LLVKDONJSA-N 0 1 398.244 3.441 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000179872359 566014490 /nfs/dbraw/zinc/01/44/90/566014490.db2.gz DGKHIZXRYPITCG-CYBMUJFWSA-N 0 1 378.822 3.445 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1C ZINC000246038300 566014744 /nfs/dbraw/zinc/01/47/44/566014744.db2.gz NEKMPOYZQYSELI-MNOVXSKESA-N 0 1 390.709 3.021 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000179866242 566014870 /nfs/dbraw/zinc/01/48/70/566014870.db2.gz VZYXDBGNVFQZMU-UHFFFAOYSA-N 0 1 393.281 3.064 20 0 GGADMN O=C(Nc1cncc(Br)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179893480 566015491 /nfs/dbraw/zinc/01/54/91/566015491.db2.gz BUCBADGYZHUIKY-NSHDSACASA-N 0 1 391.273 3.251 20 0 GGADMN C[C@H](NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)c1cccc(Cl)c1Cl ZINC000287407385 566015633 /nfs/dbraw/zinc/01/56/33/566015633.db2.gz CWSYXFKXMVFHSK-ZANVPECISA-N 0 1 381.263 3.088 20 0 GGADMN CCCN1CCN(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000179899615 566017140 /nfs/dbraw/zinc/01/71/40/566017140.db2.gz OTHOADRBEQNTQD-UHFFFAOYSA-N 0 1 386.290 3.026 20 0 GGADMN CCOCCN1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000179915710 566018137 /nfs/dbraw/zinc/01/81/37/566018137.db2.gz FQUIODYQBGXLKM-UHFFFAOYSA-N 0 1 378.314 3.151 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1[nH]nc(-c2ccccc2)c1Br ZINC000363760767 566019686 /nfs/dbraw/zinc/01/96/86/566019686.db2.gz VIGHYEKJWWXSPL-LBPRGKRZSA-N 0 1 386.253 3.370 20 0 GGADMN COc1cc(NC(=O)N2CCN(CC3CC3)CC2)cc(OC)c1Br ZINC000179923901 566019719 /nfs/dbraw/zinc/01/97/19/566019719.db2.gz WYLYARXZMAFSJE-UHFFFAOYSA-N 0 1 398.301 3.026 20 0 GGADMN COc1cc(NC(=O)N2CCN(C(C)C)CC2)cc(OC)c1Br ZINC000179917144 566019805 /nfs/dbraw/zinc/01/98/05/566019805.db2.gz OZRDYPWNCLGVHD-UHFFFAOYSA-N 0 1 386.290 3.024 20 0 GGADMN O=C(CN1CCS[C@H]2CCCC[C@H]21)NCCc1nc2ccccc2s1 ZINC000246170494 566020329 /nfs/dbraw/zinc/02/03/29/566020329.db2.gz RUGRBPXZNMSNKY-WBVHZDCISA-N 0 1 375.563 3.315 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2sc(CCOC)nc2C)cc1 ZINC000179955906 566021888 /nfs/dbraw/zinc/02/18/88/566021888.db2.gz IGVOQZNHXSUYJB-ZDUSSCGKSA-N 0 1 382.551 3.285 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2sc(CCOC)nc2C)cc1 ZINC000179955922 566022058 /nfs/dbraw/zinc/02/20/58/566022058.db2.gz IGVOQZNHXSUYJB-CYBMUJFWSA-N 0 1 382.551 3.285 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)cc(Br)c3[O-])CC[C@H]21 ZINC000246241423 566022568 /nfs/dbraw/zinc/02/25/68/566022568.db2.gz GTCPNWRQGQWAFN-QMTHXVAHSA-N 0 1 387.705 3.364 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179982782 566022728 /nfs/dbraw/zinc/02/27/28/566022728.db2.gz FLOMDTOILWNBGA-LBPRGKRZSA-N 0 1 382.869 3.423 20 0 GGADMN COc1ccc([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)c(Br)c1 ZINC000179984846 566023069 /nfs/dbraw/zinc/02/30/69/566023069.db2.gz NJPTWEIUIVIALY-TZMCWYRMSA-N 0 1 386.286 3.030 20 0 GGADMN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)[C@H]1C ZINC000179989615 566023833 /nfs/dbraw/zinc/02/38/33/566023833.db2.gz YJRYMJYDNCBJJV-ZJUUUORDSA-N 0 1 396.228 3.003 20 0 GGADMN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)[C@@H]1C ZINC000179989578 566023864 /nfs/dbraw/zinc/02/38/64/566023864.db2.gz YJRYMJYDNCBJJV-NXEZZACHSA-N 0 1 396.228 3.003 20 0 GGADMN CCC1(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000179996613 566024109 /nfs/dbraw/zinc/02/41/09/566024109.db2.gz NYLSEEFFBPDWBJ-UHFFFAOYSA-N 0 1 396.228 3.053 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccccc2SCCC(N)=O)c1Cl ZINC000179993484 566024214 /nfs/dbraw/zinc/02/42/14/566024214.db2.gz YUWIQGSFUSUEHU-UHFFFAOYSA-N 0 1 384.910 3.417 20 0 GGADMN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179998913 566024494 /nfs/dbraw/zinc/02/44/94/566024494.db2.gz AGLLQMLOOAVSSW-UHFFFAOYSA-N 0 1 388.898 3.129 20 0 GGADMN Brc1cccc2c1CC[C@H]2NCc1cccnc1N1CCOCC1 ZINC000180008775 566025407 /nfs/dbraw/zinc/02/54/07/566025407.db2.gz ASHDPUKQJIMQRV-GOSISDBHSA-N 0 1 388.309 3.458 20 0 GGADMN COC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000246300169 566025571 /nfs/dbraw/zinc/02/55/71/566025571.db2.gz FCQBICLGNIPIGQ-NXEZZACHSA-N 0 1 380.794 3.427 20 0 GGADMN C[C@H]1CC[C@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000180020474 566026984 /nfs/dbraw/zinc/02/69/84/566026984.db2.gz LIOYYTIPMJIOTK-UWVGGRQHSA-N 0 1 396.228 3.146 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000180020492 566027005 /nfs/dbraw/zinc/02/70/05/566027005.db2.gz LIOYYTIPMJIOTK-NXEZZACHSA-N 0 1 396.228 3.146 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCCCc2ccc(Br)cc2F)n[nH]1 ZINC000287567421 566027108 /nfs/dbraw/zinc/02/71/08/566027108.db2.gz LKWBYCBQUVKINL-SECBINFHSA-N 0 1 384.253 3.008 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000246425680 566028742 /nfs/dbraw/zinc/02/87/42/566028742.db2.gz ISNIHYBVNZCCKV-XOKHGSTOSA-N 0 1 383.319 3.278 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000246432742 566029755 /nfs/dbraw/zinc/02/97/55/566029755.db2.gz JLQVTDXDAOJENS-FVQBIDKESA-N 0 1 383.319 3.278 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C[C@H](C)O1 ZINC000246443523 566030041 /nfs/dbraw/zinc/03/00/41/566030041.db2.gz NKXOJCAAJBKFBL-PTEHBNRSSA-N 0 1 393.285 3.054 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@H](C)O1 ZINC000246443523 566030045 /nfs/dbraw/zinc/03/00/45/566030045.db2.gz NKXOJCAAJBKFBL-PTEHBNRSSA-N 0 1 393.285 3.054 20 0 GGADMN CS[C@H]1CCC[C@H](NS(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180077792 566030268 /nfs/dbraw/zinc/03/02/68/566030268.db2.gz FERWZFRWUHLRRR-IUCAKERBSA-N 0 1 385.374 3.167 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000246477566 566031041 /nfs/dbraw/zinc/03/10/41/566031041.db2.gz PDRSGORYNSETFU-FVQBIDKESA-N 0 1 383.319 3.278 20 0 GGADMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CCN(CC2CC2)CC1 ZINC000287642658 566031546 /nfs/dbraw/zinc/03/15/46/566031546.db2.gz CIROZRAFOXLJSE-KRWDZBQOSA-N 0 1 393.329 3.032 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)s1 ZINC000246527043 566032503 /nfs/dbraw/zinc/03/25/03/566032503.db2.gz OZUNUIXIELRELO-DZGCQCFKSA-N 0 1 385.580 3.183 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[C@H]1O ZINC000246586146 566033929 /nfs/dbraw/zinc/03/39/29/566033929.db2.gz MICXWPHFFIQEIU-QMTHXVAHSA-N 0 1 375.694 3.134 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2C)CCN1C[C@H](C)O ZINC000246569534 566034154 /nfs/dbraw/zinc/03/41/54/566034154.db2.gz SLYOSJADRWCFMW-DZGCQCFKSA-N 0 1 384.318 3.066 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246687112 566037297 /nfs/dbraw/zinc/03/72/97/566037297.db2.gz MDRZMIPQGLFUEU-QWHCGFSZSA-N 0 1 382.295 3.324 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCN1C[C@H](C)O ZINC000246714477 566038678 /nfs/dbraw/zinc/03/86/78/566038678.db2.gz DCPHFWCUXGHGFP-SJXGUFTOSA-N 0 1 385.335 3.401 20 0 GGADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416172007 566040666 /nfs/dbraw/zinc/04/06/66/566040666.db2.gz UEQHSCILWNZVSK-LBPRGKRZSA-N 0 1 382.233 3.104 20 0 GGADMN CC[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCN1C[C@H](C)O ZINC000246790455 566040868 /nfs/dbraw/zinc/04/08/68/566040868.db2.gz JJCPOZUYMUTOKU-WCQYABFASA-N 0 1 384.307 3.392 20 0 GGADMN O=C(CC[N@H+]1CCOC2(CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000364267641 566041991 /nfs/dbraw/zinc/04/19/91/566041991.db2.gz XEKOSOPUXPRCEI-UHFFFAOYSA-N 0 1 397.313 3.049 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000287849323 566044379 /nfs/dbraw/zinc/04/43/79/566044379.db2.gz XQGUPEKJJILYBW-SKDRFNHKSA-N 0 1 383.283 3.059 20 0 GGADMN CNC(=O)[C@H]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180219724 566045374 /nfs/dbraw/zinc/04/53/74/566045374.db2.gz RXISHRRQXSNFGV-NSHDSACASA-N 0 1 377.229 3.009 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000246907360 566045394 /nfs/dbraw/zinc/04/53/94/566045394.db2.gz FWHDYCOGDOUZAC-DZGCQCFKSA-N 0 1 384.318 3.066 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C)c2)CCN1C[C@H](C)O ZINC000246907360 566045400 /nfs/dbraw/zinc/04/54/00/566045400.db2.gz FWHDYCOGDOUZAC-DZGCQCFKSA-N 0 1 384.318 3.066 20 0 GGADMN O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CCCc2cn[nH]c21 ZINC000287886451 566046061 /nfs/dbraw/zinc/04/60/61/566046061.db2.gz ZQGOPLYYVODZOL-GFCCVEGCSA-N 0 1 387.241 3.315 20 0 GGADMN O=C(Nc1ccc2nccnc2c1Br)N[C@H]1CCCc2cn[nH]c21 ZINC000287886452 566046383 /nfs/dbraw/zinc/04/63/83/566046383.db2.gz ZQGOPLYYVODZOL-LBPRGKRZSA-N 0 1 387.241 3.315 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)n[nH]1 ZINC000287912413 566047716 /nfs/dbraw/zinc/04/77/16/566047716.db2.gz PILIATZOSBANIF-VIFPVBQESA-N 0 1 376.873 3.450 20 0 GGADMN C[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000246987215 566048227 /nfs/dbraw/zinc/04/82/27/566048227.db2.gz KAUQFYUJTSUEBS-NSYGIPOTSA-N 0 1 381.925 3.087 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000246987215 566048231 /nfs/dbraw/zinc/04/82/31/566048231.db2.gz KAUQFYUJTSUEBS-NSYGIPOTSA-N 0 1 381.925 3.087 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC(c2cn[nH]c2)CC1 ZINC000364372493 566048258 /nfs/dbraw/zinc/04/82/58/566048258.db2.gz XYNRDDIWPNFELU-UHFFFAOYSA-N 0 1 391.313 3.010 20 0 GGADMN CC(C)c1nc(CNC(=O)Cc2cc(Cl)c(Br)cc2F)n[nH]1 ZINC000416240582 566048671 /nfs/dbraw/zinc/04/86/71/566048671.db2.gz NPTGLDZCXGRZMI-UHFFFAOYSA-N 0 1 389.656 3.342 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](c2cncc(Br)c2)C2CC2)n[nH]1 ZINC000287964572 566049850 /nfs/dbraw/zinc/04/98/50/566049850.db2.gz VVORMYGTEIHNHG-OTYXRUKQSA-N 0 1 393.289 3.036 20 0 GGADMN OCCCN(Cc1ccccn1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000287978817 566050998 /nfs/dbraw/zinc/05/09/98/566050998.db2.gz ZVHBVRBJGZOKQY-MRXNPFEDSA-N 0 1 385.291 3.013 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(Br)cc1C(F)(F)F)c1nnc[nH]1 ZINC000180287255 566051187 /nfs/dbraw/zinc/05/11/87/566051187.db2.gz WZRMPFZLVWOGNK-ZCFIWIBFSA-N 0 1 378.152 3.469 20 0 GGADMN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1COc2ccccc21 ZINC000247143492 566053142 /nfs/dbraw/zinc/05/31/42/566053142.db2.gz XFZMBVXREYAMOS-XNJJOIOASA-N 0 1 375.266 3.130 20 0 GGADMN CCOc1cc(Br)c(NC(=O)N[C@H](C)c2nnc[nH]2)cc1OCC ZINC000180309573 566053573 /nfs/dbraw/zinc/05/35/73/566053573.db2.gz YUOIKZVSHPUAMQ-SECBINFHSA-N 0 1 398.261 3.247 20 0 GGADMN O=C(c1ccccc1Br)N1CCC(CCCN2CCOCC2)CC1 ZINC000180307489 566053888 /nfs/dbraw/zinc/05/38/88/566053888.db2.gz JFIFGVKPBFWPCZ-UHFFFAOYSA-N 0 1 395.341 3.414 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2C)CCN1C[C@H](C)O ZINC000247160812 566054918 /nfs/dbraw/zinc/05/49/18/566054918.db2.gz UUJXPPWCBOTCSM-ZFWWWQNUSA-N 0 1 384.318 3.066 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000247207841 566055045 /nfs/dbraw/zinc/05/50/45/566055045.db2.gz CGQFRGQNGQSTFE-UONOGXRCSA-N 0 1 389.323 3.156 20 0 GGADMN O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000180332177 566056137 /nfs/dbraw/zinc/05/61/37/566056137.db2.gz PKIYIAHJRGKWGV-LBPRGKRZSA-N 0 1 376.806 3.153 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCCN4C[C@H]3C)s2)cs1 ZINC000247234553 566056617 /nfs/dbraw/zinc/05/66/17/566056617.db2.gz YNOVAVQFQLQNGM-YPMHNXCESA-N 0 1 383.564 3.037 20 0 GGADMN O=C(c1cccc(Br)c1Cl)N1CCN(C2CCOCC2)CC1 ZINC000180353145 566057011 /nfs/dbraw/zinc/05/70/11/566057011.db2.gz VHYNSYYRXYIKCS-UHFFFAOYSA-N 0 1 387.705 3.039 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCS[C@H]2COCC[C@H]21 ZINC000247308828 566057808 /nfs/dbraw/zinc/05/78/08/566057808.db2.gz VHDQTVJSTLIOHD-CVEARBPZSA-N 0 1 389.348 3.158 20 0 GGADMN O=S(=O)(CCOCC1CCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416370485 566058088 /nfs/dbraw/zinc/05/80/88/566058088.db2.gz KVLGUSFPQPJBDI-KRWDZBQOSA-N 0 1 386.583 3.011 20 0 GGADMN O=S(=O)(CCOCC1CCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000416370486 566058188 /nfs/dbraw/zinc/05/81/88/566058188.db2.gz KVLGUSFPQPJBDI-QGZVFWFLSA-N 0 1 386.583 3.011 20 0 GGADMN O=S(=O)(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000416372425 566058407 /nfs/dbraw/zinc/05/84/07/566058407.db2.gz NKXNAYDXCLGOEO-JENIJYKNSA-N 0 1 376.547 3.361 20 0 GGADMN C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000247331148 566058949 /nfs/dbraw/zinc/05/89/49/566058949.db2.gz IQWFECBPLHERJV-TZMCWYRMSA-N 0 1 391.313 3.251 20 0 GGADMN CCO[C@@H]1C[C@H](N[C@@H](C(N)=O)c2ccc(Br)cc2)C12CCCC2 ZINC000247431772 566059915 /nfs/dbraw/zinc/05/99/15/566059915.db2.gz MCKZVTLOZVXJID-ARFHVFGLSA-N 0 1 381.314 3.303 20 0 GGADMN CCO[C@@H]1C[C@@H](N[C@@H](C(N)=O)c2ccc(Br)cc2)C12CCCC2 ZINC000247431776 566060686 /nfs/dbraw/zinc/06/06/86/566060686.db2.gz MCKZVTLOZVXJID-BZUAXINKSA-N 0 1 381.314 3.303 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364679736 566063562 /nfs/dbraw/zinc/06/35/62/566063562.db2.gz WLLPHLLHVUIXNO-YOEHRIQHSA-N 0 1 393.325 3.355 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCS(=O)(=O)NC(C)C ZINC000180466353 566064537 /nfs/dbraw/zinc/06/45/37/566064537.db2.gz YRVGVKYWKCCZGR-GFCCVEGCSA-N 0 1 385.530 3.236 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000288255377 566064919 /nfs/dbraw/zinc/06/49/19/566064919.db2.gz GHCBCUPVZTWAFO-WMLDXEAASA-N 0 1 380.941 3.341 20 0 GGADMN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000288255376 566065235 /nfs/dbraw/zinc/06/52/35/566065235.db2.gz GHCBCUPVZTWAFO-RHSMWYFYSA-N 0 1 380.941 3.341 20 0 GGADMN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000288255374 566065409 /nfs/dbraw/zinc/06/54/09/566065409.db2.gz GHCBCUPVZTWAFO-PBHICJAKSA-N 0 1 380.941 3.341 20 0 GGADMN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000288255379 566065470 /nfs/dbraw/zinc/06/54/70/566065470.db2.gz GHCBCUPVZTWAFO-YOEHRIQHSA-N 0 1 380.941 3.341 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000180468421 566065508 /nfs/dbraw/zinc/06/55/08/566065508.db2.gz DMPNGIADBXUJSQ-GFCCVEGCSA-N 0 1 384.489 3.319 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000247740822 566065615 /nfs/dbraw/zinc/06/56/15/566065615.db2.gz WWQQFQRWRICIAE-YNEHKIRRSA-N 0 1 386.323 3.017 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3sccc3Br)n2)cc1 ZINC000364742715 566068066 /nfs/dbraw/zinc/06/80/66/566068066.db2.gz LZYZJGMVHMQNHO-UHFFFAOYSA-N 0 1 393.266 3.234 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3sccc3Br)n[nH]2)cc1 ZINC000364742715 566068071 /nfs/dbraw/zinc/06/80/71/566068071.db2.gz LZYZJGMVHMQNHO-UHFFFAOYSA-N 0 1 393.266 3.234 20 0 GGADMN COc1ccc(Br)cc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000180504086 566069223 /nfs/dbraw/zinc/06/92/23/566069223.db2.gz ILYSSRRRBGKJIL-LBPRGKRZSA-N 0 1 388.269 3.284 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)nc2C)cc1 ZINC000288365448 566070908 /nfs/dbraw/zinc/07/09/08/566070908.db2.gz XZWKJJOMXPTTDX-UHFFFAOYSA-N 0 1 388.898 3.028 20 0 GGADMN CCN(CC)C(=O)C[C@H](C)NCc1cc(OC)c(OC)cc1Br ZINC000180543380 566071584 /nfs/dbraw/zinc/07/15/84/566071584.db2.gz VJUHKEWZATVXEJ-LBPRGKRZSA-N 0 1 387.318 3.203 20 0 GGADMN CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)OC)C(F)(F)F ZINC000416469862 566071634 /nfs/dbraw/zinc/07/16/34/566071634.db2.gz KUFCEBSEYSMNOA-UFBFGSQYSA-N 0 1 387.807 3.382 20 0 GGADMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1nc2ccccc2cc1Br ZINC000288400240 566071740 /nfs/dbraw/zinc/07/17/40/566071740.db2.gz HYWNXIHDKBVHRK-MLGOLLRUSA-N 0 1 376.298 3.410 20 0 GGADMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nc2ccccc2cc1Br ZINC000288400246 566072068 /nfs/dbraw/zinc/07/20/68/566072068.db2.gz HYWNXIHDKBVHRK-WBMJQRKESA-N 0 1 376.298 3.410 20 0 GGADMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)OC)C(F)(F)F ZINC000416469859 566072003 /nfs/dbraw/zinc/07/20/03/566072003.db2.gz KUFCEBSEYSMNOA-PELKAZGASA-N 0 1 387.807 3.382 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(Cl)nc1C ZINC000288419650 566072966 /nfs/dbraw/zinc/07/29/66/566072966.db2.gz HBJKBGNREPDNKX-UHFFFAOYSA-N 0 1 379.869 3.045 20 0 GGADMN O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCCN(CC(F)F)CC1 ZINC000180580138 566075129 /nfs/dbraw/zinc/07/51/29/566075129.db2.gz REUNJMLSUIQHOK-CYBMUJFWSA-N 0 1 383.266 3.006 20 0 GGADMN O=S(=O)(CCCCF)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000288488119 566076315 /nfs/dbraw/zinc/07/63/15/566076315.db2.gz CPXOAXACROPECN-UHFFFAOYSA-N 0 1 394.291 3.459 20 0 GGADMN C[C@H](NC(=O)NCC1(c2ccc(Br)s2)CCC1)c1nnc[nH]1 ZINC000288482783 566076968 /nfs/dbraw/zinc/07/69/68/566076968.db2.gz QCSCHSQOLNQWNW-VIFPVBQESA-N 0 1 384.303 3.111 20 0 GGADMN CN(Cc1cc(C(F)(F)F)ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000180627022 566077856 /nfs/dbraw/zinc/07/78/56/566077856.db2.gz QJYWKJOHJVPAGK-UHFFFAOYSA-N 0 1 384.851 3.215 20 0 GGADMN C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000248432001 566079147 /nfs/dbraw/zinc/07/91/47/566079147.db2.gz VAHBFMAGRJGQTN-ZIAGYGMSSA-N 0 1 378.460 3.431 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000180650295 566079176 /nfs/dbraw/zinc/07/91/76/566079176.db2.gz OHUAPRULLHYKKD-DYVFJYSZSA-N 0 1 394.313 3.137 20 0 GGADMN COC(=O)[C@H](O)C1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000180670354 566080265 /nfs/dbraw/zinc/08/02/65/566080265.db2.gz LHTVDZVGQBLBKD-MRXNPFEDSA-N 0 1 386.275 3.015 20 0 GGADMN COCc1c(Br)cccc1NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000180667150 566080473 /nfs/dbraw/zinc/08/04/73/566080473.db2.gz DDZXIQMZWAAOPN-MRXNPFEDSA-N 0 1 384.318 3.399 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000248544471 566080931 /nfs/dbraw/zinc/08/09/31/566080931.db2.gz CYKLKSXCDBEGJZ-JTWNBILESA-N 0 1 381.925 3.098 20 0 GGADMN C[C@@H]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1n1ccnc1 ZINC000248553682 566081737 /nfs/dbraw/zinc/08/17/37/566081737.db2.gz JQJBOKKKAUYJKB-JLZZUVOBSA-N 0 1 382.277 3.401 20 0 GGADMN CC[C@H](CSC)N(C)CC(=O)Nc1ccccc1I ZINC000180679014 566082053 /nfs/dbraw/zinc/08/20/53/566082053.db2.gz PTNDNNFKOGVTIS-LLVKDONJSA-N 0 1 392.306 3.303 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000248614762 566083973 /nfs/dbraw/zinc/08/39/73/566083973.db2.gz 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566086843 /nfs/dbraw/zinc/08/68/43/566086843.db2.gz JRVCIDBDJVOQIB-UHFFFAOYSA-N 0 1 396.431 3.057 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000416555240 566086998 /nfs/dbraw/zinc/08/69/98/566086998.db2.gz KPDPGNHMWADTBO-UHFFFAOYSA-N 0 1 398.941 3.030 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000416559536 566087176 /nfs/dbraw/zinc/08/71/76/566087176.db2.gz QUBKETQAHLRNBN-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2NCc1ccc(Br)c(Cl)c1 ZINC000365197223 566089253 /nfs/dbraw/zinc/08/92/53/566089253.db2.gz CBAZVQNTUSWHEI-OAHLLOKOSA-N 0 1 384.705 3.459 20 0 GGADMN COC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000288769514 566089672 /nfs/dbraw/zinc/08/96/72/566089672.db2.gz JLVQQMRVLPUITJ-GOSISDBHSA-N 0 1 382.913 3.068 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(Br)cc2F)n[nH]1 ZINC000288772295 566090046 /nfs/dbraw/zinc/09/00/46/566090046.db2.gz XWSLGJGLUUIVGC-RKDXNWHRSA-N 0 1 384.253 3.390 20 0 GGADMN 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CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261870203 566138794 /nfs/dbraw/zinc/13/87/94/566138794.db2.gz XTWWEMMHQZFODO-SKDZVZGDSA-N 0 1 383.330 3.190 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181385587 566138736 /nfs/dbraw/zinc/13/87/36/566138736.db2.gz CARLXAULLOSULY-RRFJBIMHSA-N 0 1 375.270 3.425 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181398082 566138840 /nfs/dbraw/zinc/13/88/40/566138840.db2.gz JZFYTQWGWONFEB-ZWNOBZJWSA-N 0 1 397.248 3.227 20 0 GGADMN CN(CCOCc1ccccc1)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261879771 566139330 /nfs/dbraw/zinc/13/93/30/566139330.db2.gz YWDARYWHOKRCDF-LJQANCHMSA-N 0 1 391.309 3.298 20 0 GGADMN CN1CCCN(C(=O)Nc2ccc(I)cc2Cl)CC1 ZINC000181424749 566139802 /nfs/dbraw/zinc/13/98/02/566139802.db2.gz PSLDEWRRMVROOB-UHFFFAOYSA-N 0 1 393.656 3.114 20 0 GGADMN C[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)CCN1 ZINC000417252198 566141631 /nfs/dbraw/zinc/14/16/31/566141631.db2.gz 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Cc1ccc(S(=O)(=O)NCCN[C@H]2CCSc3c(F)cccc32)s1 ZINC000181510162 566145362 /nfs/dbraw/zinc/14/53/62/566145362.db2.gz FPFKDOBDAYHGCT-AWEZNQCLSA-N 0 1 386.539 3.301 20 0 GGADMN COc1ccc([C@H](C)NCCNS(=O)(=O)c2cc(C)sc2C)cc1F ZINC000181506959 566146015 /nfs/dbraw/zinc/14/60/15/566146015.db2.gz XHBKVSQPVTYOCY-LBPRGKRZSA-N 0 1 386.514 3.142 20 0 GGADMN CN(CCN[C@H]1CCSc2ccc(F)cc21)S(=O)(=O)c1cccs1 ZINC000181504415 566146047 /nfs/dbraw/zinc/14/60/47/566146047.db2.gz PJQZFWNFPVUXNZ-AWEZNQCLSA-N 0 1 386.539 3.334 20 0 GGADMN CN(CCN[C@@H]1CCSc2ccc(F)cc21)S(=O)(=O)c1cccs1 ZINC000181504401 566146058 /nfs/dbraw/zinc/14/60/58/566146058.db2.gz PJQZFWNFPVUXNZ-CQSZACIVSA-N 0 1 386.539 3.334 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262094576 566146502 /nfs/dbraw/zinc/14/65/02/566146502.db2.gz GTURUMRGKRMGEC-RRUGBERISA-N 0 1 385.291 3.357 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000181516013 566146807 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O=C([O-])CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000263120535 566173874 /nfs/dbraw/zinc/17/38/74/566173874.db2.gz LZKAPURARIBQIA-ZDUSSCGKSA-N 0 1 383.286 3.355 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000366894392 566176069 /nfs/dbraw/zinc/17/60/69/566176069.db2.gz SZNRNUUDZYQJPX-HKUYNNGSSA-N 0 1 388.309 3.434 20 0 GGADMN CN(C)[C@H](CNCc1ccc(F)cc1I)c1ccco1 ZINC000417846686 566176754 /nfs/dbraw/zinc/17/67/54/566176754.db2.gz PWXNUNMRAVBUFY-CQSZACIVSA-N 0 1 388.224 3.416 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000366967125 566179597 /nfs/dbraw/zinc/17/95/97/566179597.db2.gz UUANMLSXTAUOKQ-JVMOKEISSA-N 0 1 388.309 3.432 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Br)nc1 ZINC000182068899 566181108 /nfs/dbraw/zinc/18/11/08/566181108.db2.gz CWAZCAUKIVFSAS-UHFFFAOYSA-N 0 1 390.281 3.053 20 0 GGADMN Cn1cc(CN2CCCN(c3noc4ccc(Br)cc43)CC2)cn1 ZINC000290641658 566182777 /nfs/dbraw/zinc/18/27/77/566182777.db2.gz 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Cc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)ccc1Br ZINC000555773669 566251493 /nfs/dbraw/zinc/25/14/93/566251493.db2.gz DTOFKPPLVDZFJV-UHFFFAOYSA-N 0 1 395.341 3.332 20 0 GGADMN CC(=O)[C@H](NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1)C(C)C ZINC000481758564 566251719 /nfs/dbraw/zinc/25/17/19/566251719.db2.gz UULSGPBZGWSWIT-MSOLQXFVSA-N 0 1 399.304 3.359 20 0 GGADMN COCCCNC(=O)[C@H](C)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481760626 566251763 /nfs/dbraw/zinc/25/17/63/566251763.db2.gz KMVNMSUBAJTZPD-MEDUHNTESA-N 0 1 387.293 3.170 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[nH]1 ZINC000444762061 566252080 /nfs/dbraw/zinc/25/20/80/566252080.db2.gz PPHPGXVGCHCSFJ-NSHDSACASA-N 0 1 382.770 3.418 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1 ZINC000444762061 566252083 /nfs/dbraw/zinc/25/20/83/566252083.db2.gz PPHPGXVGCHCSFJ-NSHDSACASA-N 0 1 382.770 3.418 20 0 GGADMN CS(=O)(=O)[C@H]1CCCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000444800192 566253299 /nfs/dbraw/zinc/25/32/99/566253299.db2.gz IVQBSVHTJWCTDA-INIZCTEOSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCC[C@](C)(O)C2)C1=O ZINC000508979192 566253371 /nfs/dbraw/zinc/25/33/71/566253371.db2.gz REZBKWWWLMFKQG-LPHOPBHVSA-N 0 1 395.341 3.408 20 0 GGADMN CN1CCCC[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000599323202 566254499 /nfs/dbraw/zinc/25/44/99/566254499.db2.gz OHELNUCFVUBVRF-QGZVFWFLSA-N 0 1 395.341 3.098 20 0 GGADMN COc1c(Cl)cc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000444826038 566254664 /nfs/dbraw/zinc/25/46/64/566254664.db2.gz GVQAXLJMFVVTTK-LLVKDONJSA-N 0 1 390.311 3.311 20 0 GGADMN Cn1cc(N2CCC[C@@H](N[C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cn1 ZINC000534793132 566254768 /nfs/dbraw/zinc/25/47/68/566254768.db2.gz KJCREHUPIMRGNG-DLBZAZTESA-N 0 1 379.291 3.499 20 0 GGADMN O=C(Nc1ccc(F)cc1I)c1ccc2cncn2c1 ZINC000555860378 566255078 /nfs/dbraw/zinc/25/50/78/566255078.db2.gz DLTQXAOTRLIDHG-UHFFFAOYSA-N 0 1 381.148 3.330 20 0 GGADMN CN1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000599323881 566255441 /nfs/dbraw/zinc/25/54/41/566255441.db2.gz GGAVFEYEFIWEKZ-LBPRGKRZSA-N 0 1 377.229 3.151 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c(Br)c1 ZINC000481826219 566255536 /nfs/dbraw/zinc/25/55/36/566255536.db2.gz RZJATSBQZUMXCB-UHFFFAOYSA-N 0 1 396.266 3.145 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCCS(=O)(=O)N(C)C ZINC000509023665 566256055 /nfs/dbraw/zinc/25/60/55/566256055.db2.gz XJVZNWRXXHLPCQ-LLVKDONJSA-N 0 1 387.958 3.314 20 0 GGADMN COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000575163266 566256340 /nfs/dbraw/zinc/25/63/40/566256340.db2.gz HNQSZNUYGGJCJN-GFCCVEGCSA-N 0 1 375.824 3.154 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1sc(C)cc1Br ZINC000462151473 566256244 /nfs/dbraw/zinc/25/62/44/566256244.db2.gz PBFRDZMVQGQPBM-GFCCVEGCSA-N 0 1 395.388 3.362 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)Nc1ccncc1 ZINC000481838446 566256286 /nfs/dbraw/zinc/25/62/86/566256286.db2.gz LLSLQYCHPDBNHP-INIZCTEOSA-N 0 1 376.298 3.158 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(NS(C)(=O)=O)nc2)c2cccc(Cl)c21 ZINC000624909797 566257047 /nfs/dbraw/zinc/25/70/47/566257047.db2.gz KFEONJNHQLJQNV-UHFFFAOYSA-N 0 1 379.869 3.045 20 0 GGADMN Brc1ccc(-c2nnc(CN3CC[C@H](c4ccncc4)C3)o2)o1 ZINC000555879845 566257062 /nfs/dbraw/zinc/25/70/62/566257062.db2.gz GNTKWILMUIKQFU-LBPRGKRZSA-N 0 1 375.226 3.477 20 0 GGADMN COC(=O)CCCCN[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000599368930 566257292 /nfs/dbraw/zinc/25/72/92/566257292.db2.gz CNHFGQXARLWEMG-LLVKDONJSA-N 0 1 382.258 3.493 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000509053312 566257663 /nfs/dbraw/zinc/25/76/63/566257663.db2.gz HJWWFGAIWJYYNZ-QGZVFWFLSA-N 0 1 395.341 3.098 20 0 GGADMN CC[C@@H]1CN(Cc2coc(-c3ccc(I)cc3)n2)C[C@H]1O ZINC000534863619 566259494 /nfs/dbraw/zinc/25/94/94/566259494.db2.gz LWQSHGLYJJHWJU-IAQYHMDHSA-N 0 1 398.244 3.149 20 0 GGADMN CN1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)C12CCCC2 ZINC000420032655 566260771 /nfs/dbraw/zinc/26/07/71/566260771.db2.gz NJTSDNVOXLXHBR-UHFFFAOYSA-N 0 1 377.242 3.032 20 0 GGADMN CSc1cccc(S(=O)(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)c1 ZINC000509077014 566261631 /nfs/dbraw/zinc/26/16/31/566261631.db2.gz ZKJCXXUKEPBULN-UHFFFAOYSA-N 0 1 375.475 3.409 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000481891850 566261634 /nfs/dbraw/zinc/26/16/34/566261634.db2.gz AJWVPMYDENTNPL-UHFFFAOYSA-N 0 1 379.381 3.495 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(CN(C)C)c(Cl)c2)cc1OC ZINC000481885097 566262010 /nfs/dbraw/zinc/26/20/10/566262010.db2.gz YVJFRMKDLKHFCZ-UHFFFAOYSA-N 0 1 384.885 3.220 20 0 GGADMN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1cccc2c1OCO2 ZINC000509101034 566262708 /nfs/dbraw/zinc/26/27/08/566262708.db2.gz WIZQZSYTZWIZRR-UHFFFAOYSA-N 0 1 375.324 3.157 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481917973 566263344 /nfs/dbraw/zinc/26/33/44/566263344.db2.gz PUAXZDBBTUZZGP-UHFFFAOYSA-N 0 1 385.896 3.273 20 0 GGADMN COC(=O)C[C@@](C)(NCCOc1cccc(Br)c1)c1ccccn1 ZINC000509126401 566264663 /nfs/dbraw/zinc/26/46/63/566264663.db2.gz NLMSKOBTIZOXII-GOSISDBHSA-N 0 1 393.281 3.291 20 0 GGADMN COC(=O)C[C@](C)(NCCOc1cccc(Br)c1)c1ccccn1 ZINC000509126402 566265206 /nfs/dbraw/zinc/26/52/06/566265206.db2.gz NLMSKOBTIZOXII-SFHVURJKSA-N 0 1 393.281 3.291 20 0 GGADMN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534941219 566265390 /nfs/dbraw/zinc/26/53/90/566265390.db2.gz QEAKPJUZALLWHU-PSASIEDQSA-N 0 1 378.650 3.331 20 0 GGADMN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cc(F)ccc1Br ZINC000534942876 566265697 /nfs/dbraw/zinc/26/56/97/566265697.db2.gz SKIKFKJXMZIUQF-UHFFFAOYSA-N 0 1 398.213 3.439 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534941300 566265836 /nfs/dbraw/zinc/26/58/36/566265836.db2.gz VCMMYGXRIRDPNR-UHFFFAOYSA-N 0 1 398.706 3.352 20 0 GGADMN COc1ccc(Cl)cc1CS(=O)(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445070246 566265982 /nfs/dbraw/zinc/26/59/82/566265982.db2.gz KANASPGRUFGIAF-UHFFFAOYSA-N 0 1 385.917 3.331 20 0 GGADMN Cc1cc(Br)cn2c(CN[C@@H](CC(N)=O)c3ccccc3)cnc12 ZINC000575335032 566266208 /nfs/dbraw/zinc/26/62/08/566266208.db2.gz JCXOIPOZJSHHIN-INIZCTEOSA-N 0 1 387.281 3.112 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)CC1=CCSC1 ZINC000668775250 566266860 /nfs/dbraw/zinc/26/68/60/566266860.db2.gz RZYCWOFXYJBFLQ-LBPRGKRZSA-N 0 1 399.354 3.067 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)CC1=CCSC1 ZINC000668775249 566267345 /nfs/dbraw/zinc/26/73/45/566267345.db2.gz RZYCWOFXYJBFLQ-GFCCVEGCSA-N 0 1 399.354 3.067 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccccc2I)n[nH]1 ZINC000534962562 566267542 /nfs/dbraw/zinc/26/75/42/566267542.db2.gz BXLUYTPMDKXJLW-VIFPVBQESA-N 0 1 399.236 3.415 20 0 GGADMN C[C@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCC[N@H+]1C ZINC000481933869 566267731 /nfs/dbraw/zinc/26/77/31/566267731.db2.gz RUXZPHPAWXFBHH-CABZTGNLSA-N 0 1 383.880 3.024 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000481946320 566267842 /nfs/dbraw/zinc/26/78/42/566267842.db2.gz VGNARUXTNNBUNY-UHFFFAOYSA-N 0 1 394.243 3.237 20 0 GGADMN O=S(=O)([N-]CC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000445086679 566267908 /nfs/dbraw/zinc/26/79/08/566267908.db2.gz WYIZEVRFNSEQOB-UHFFFAOYSA-N 0 1 381.300 3.285 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)n[nH]1 ZINC000534996243 566268283 /nfs/dbraw/zinc/26/82/83/566268283.db2.gz RESOCRBXLPVEED-UWVGGRQHSA-N 0 1 398.280 3.260 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CC[C@@H](O)[C@H](C)C2)C1=O ZINC000509143829 566268343 /nfs/dbraw/zinc/26/83/43/566268343.db2.gz ZBXXGXQEQMODCW-HYVNUMGLSA-N 0 1 395.341 3.264 20 0 GGADMN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ncccc2Cl)cn1 ZINC000481959762 566268734 /nfs/dbraw/zinc/26/87/34/566268734.db2.gz BFAMRWXOZJSOJW-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCC(C)(C)c2ccccc2Br)n[nH]1 ZINC000534994930 566268924 /nfs/dbraw/zinc/26/89/24/566268924.db2.gz NBNRTVVUNYQJOV-NSHDSACASA-N 0 1 394.317 3.468 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n[nH]1 ZINC000534979034 566268995 /nfs/dbraw/zinc/26/89/95/566268995.db2.gz ZAJVBGROJXTEDY-MRVPVSSYSA-N 0 1 394.831 3.222 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(Br)cc2Cl)n[nH]1 ZINC000534989376 566269691 /nfs/dbraw/zinc/26/96/91/566269691.db2.gz HKDMYSPVKIQIGK-MRVPVSSYSA-N 0 1 386.681 3.343 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000534979451 566269702 /nfs/dbraw/zinc/26/97/02/566269702.db2.gz CSOLYWQAFWKNTE-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ncc(Br)cc1C ZINC000575370434 566269729 /nfs/dbraw/zinc/26/97/29/566269729.db2.gz PFPKXWIIAQACIW-OAHLLOKOSA-N 0 1 399.310 3.152 20 0 GGADMN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ncc(Br)cc1C ZINC000575370433 566270070 /nfs/dbraw/zinc/27/00/70/566270070.db2.gz PFPKXWIIAQACIW-HNNXBMFYSA-N 0 1 399.310 3.152 20 0 GGADMN C[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCC1=O ZINC000535004487 566270491 /nfs/dbraw/zinc/27/04/91/566270491.db2.gz UHKUXFAKLIFCAY-UWVGGRQHSA-N 0 1 377.242 3.178 20 0 GGADMN C[C@H]1[C@H](C)N(Cc2ncc(Br)cc2Br)CCN1C ZINC000482515003 566312423 /nfs/dbraw/zinc/31/24/23/566312423.db2.gz WSJKDBDMSGWMMO-UWVGGRQHSA-N 0 1 377.124 3.131 20 0 GGADMN CC[C@@H](C)N(C)CCNC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000556091947 566271074 /nfs/dbraw/zinc/27/10/74/566271074.db2.gz PQWWDKVERMWADF-CYBMUJFWSA-N 0 1 389.949 3.374 20 0 GGADMN Cc1c(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)cnn1-c1ccccn1 ZINC000481981880 566271819 /nfs/dbraw/zinc/27/18/19/566271819.db2.gz DQSVFRHUNHNKOJ-UHFFFAOYSA-N 0 1 398.275 3.387 20 0 GGADMN CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCC2)CC1 ZINC000575432680 566271933 /nfs/dbraw/zinc/27/19/33/566271933.db2.gz NWPLFEVNTJVXBJ-UHFFFAOYSA-N 0 1 396.358 3.464 20 0 GGADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000535037154 566271992 /nfs/dbraw/zinc/27/19/92/566271992.db2.gz SIWRZSGPSBRTGI-ZIAGYGMSSA-N 0 1 380.330 3.247 20 0 GGADMN Brc1ccccc1-n1cc(N[C@@H](c2nnc[nH]2)c2cccnc2)cn1 ZINC000556156177 566272781 /nfs/dbraw/zinc/27/27/81/566272781.db2.gz SMPVOKUMQWWKOH-MRXNPFEDSA-N 0 1 396.252 3.349 20 0 GGADMN CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000556152105 566273096 /nfs/dbraw/zinc/27/30/96/566273096.db2.gz MBLUYXPUSAASJC-MNOVXSKESA-N 0 1 379.258 3.378 20 0 GGADMN CN(CCNC(=O)c1[nH]nc(C2CC2)c1Br)Cc1ccc(F)cc1 ZINC000481991654 566273285 /nfs/dbraw/zinc/27/32/85/566273285.db2.gz OUKOMBFDHCAHQV-UHFFFAOYSA-N 0 1 395.276 3.051 20 0 GGADMN COc1ccc(C(=O)NCCN(C)Cc2ccc(F)cc2)cc1Br ZINC000481999375 566273312 /nfs/dbraw/zinc/27/33/12/566273312.db2.gz OJUWTCPUYXUGKZ-UHFFFAOYSA-N 0 1 395.272 3.459 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(I)ccc2C)n[nH]1 ZINC000481983218 566273469 /nfs/dbraw/zinc/27/34/69/566273469.db2.gz RSHNLIZHKUWLGT-SECBINFHSA-N 0 1 399.236 3.163 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)cc1Cl ZINC000481982921 566273839 /nfs/dbraw/zinc/27/38/39/566273839.db2.gz RUJWTCNHTRNDPQ-UHFFFAOYSA-N 0 1 378.841 3.284 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000509201248 566274188 /nfs/dbraw/zinc/27/41/88/566274188.db2.gz VHIKEXBFUZVYBL-CQSZACIVSA-N 0 1 399.292 3.263 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(OC)cc2Br)CCN1CCOC ZINC000535045416 566274061 /nfs/dbraw/zinc/27/40/61/566274061.db2.gz MPFWUQJAKPTDLU-AWEZNQCLSA-N 0 1 399.329 3.031 20 0 GGADMN CC[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]nc21)Cc1cccc(Br)c1 ZINC000668922450 566274683 /nfs/dbraw/zinc/27/46/83/566274683.db2.gz HTGDLDYLMCFDNW-IUODEOHRSA-N 0 1 391.313 3.372 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(OC)cc2Br)CCN1CCOC ZINC000535045417 566274810 /nfs/dbraw/zinc/27/48/10/566274810.db2.gz MPFWUQJAKPTDLU-CQSZACIVSA-N 0 1 399.329 3.031 20 0 GGADMN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(O)c1F ZINC000535053518 566274907 /nfs/dbraw/zinc/27/49/07/566274907.db2.gz KYBUDMQDMKDNSQ-UHFFFAOYSA-N 0 1 381.406 3.333 20 0 GGADMN CC(C)SCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000535045460 566275100 /nfs/dbraw/zinc/27/51/00/566275100.db2.gz ALJVMVSZPTYLGP-UHFFFAOYSA-N 0 1 386.359 3.281 20 0 GGADMN CN(CCNC(=O)COc1cccc(Br)c1)Cc1ccc(F)cc1 ZINC000482010972 566275247 /nfs/dbraw/zinc/27/52/47/566275247.db2.gz RZGLJKNSLIKULL-UHFFFAOYSA-N 0 1 395.272 3.215 20 0 GGADMN O=S(=O)(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccc2c1OCO2 ZINC000509205598 566276128 /nfs/dbraw/zinc/27/61/28/566276128.db2.gz LVORSBQYUKNXQQ-UHFFFAOYSA-N 0 1 377.809 3.055 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H](c2cc[nH]n2)C1 ZINC000625095103 566276416 /nfs/dbraw/zinc/27/64/16/566276416.db2.gz HCKXJSNYSNVNRG-GUYCJALGSA-N 0 1 389.297 3.305 20 0 GGADMN C[C@@H]1CN(C[C@H](O)Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C[C@@H](C)O1 ZINC000535121746 566278115 /nfs/dbraw/zinc/27/81/15/566278115.db2.gz SDWPQYAFIWKIRN-NFAWXSAZSA-N 0 1 384.307 3.327 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000535119052 566278369 /nfs/dbraw/zinc/27/83/69/566278369.db2.gz YPRPNGSUGUUDRJ-CYBMUJFWSA-N 0 1 386.309 3.255 20 0 GGADMN CCn1c(=O)[nH]nc1S[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000648405795 566279143 /nfs/dbraw/zinc/27/91/43/566279143.db2.gz VUAXLEFZTNZHCV-LLVKDONJSA-N 0 1 381.527 3.307 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000575635304 566279247 /nfs/dbraw/zinc/27/92/47/566279247.db2.gz ROYLHUWIAGDFOS-MPKXVKKWSA-N 0 1 393.285 3.082 20 0 GGADMN COC(=O)CCSc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000535138474 566279561 /nfs/dbraw/zinc/27/95/61/566279561.db2.gz SZLVGGSQUDXKGN-UHFFFAOYSA-N 0 1 387.429 3.421 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482041651 566279640 /nfs/dbraw/zinc/27/96/40/566279640.db2.gz CAGFGRRNRSLFDO-SJKOYZFVSA-N 0 1 399.304 3.124 20 0 GGADMN COC(=O)c1c(Br)ccc(NC(=O)N2CCNC[C@@H]2C(C)C)c1C ZINC000599607277 566280562 /nfs/dbraw/zinc/28/05/62/566280562.db2.gz VHYXILFACKEFKL-CQSZACIVSA-N 0 1 398.301 3.006 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000575744617 566281655 /nfs/dbraw/zinc/28/16/55/566281655.db2.gz BDSKYFYHVNFQFA-QZTJIDSGSA-N 0 1 389.293 3.357 20 0 GGADMN CN(C)C1(CNS(=O)(=O)c2c(Cl)cccc2Cl)Cc2ccccc2C1 ZINC000462321098 566283184 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20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(Br)cc2cccnc21 ZINC000535394743 566300971 /nfs/dbraw/zinc/30/09/71/566300971.db2.gz PCBTWWCVQUBIAA-INIZCTEOSA-N 0 1 376.298 3.410 20 0 GGADMN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc2cncn2c1 ZINC000556438154 566301018 /nfs/dbraw/zinc/30/10/18/566301018.db2.gz QITJLMKRWRTTPP-UHFFFAOYSA-N 0 1 394.294 3.447 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000575957342 566301141 /nfs/dbraw/zinc/30/11/41/566301141.db2.gz ZXDQRYQEORQISQ-CYBMUJFWSA-N 0 1 384.851 3.464 20 0 GGADMN Cc1nc(CNCc2cn(-c3ccncc3)nc2C)sc1Br ZINC000648655877 566301204 /nfs/dbraw/zinc/30/12/04/566301204.db2.gz DQPLWRJVFYCQHM-UHFFFAOYSA-N 0 1 378.299 3.393 20 0 GGADMN CCC1(CO)CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625278702 566301976 /nfs/dbraw/zinc/30/19/76/566301976.db2.gz VKFCYMGZQCNGHE-INIZCTEOSA-N 0 1 381.314 3.187 20 0 GGADMN CSc1cccc(S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000509420317 566301977 /nfs/dbraw/zinc/30/19/77/566301977.db2.gz YJRXQPAGESBLAU-UHFFFAOYSA-N 0 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GGADMN C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000536146152 566354937 /nfs/dbraw/zinc/35/49/37/566354937.db2.gz YVNIXJIXGRUSEC-JQWIXIFHSA-N 0 1 384.454 3.052 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2ccsc2Cl)C1 ZINC000576545821 566355085 /nfs/dbraw/zinc/35/50/85/566355085.db2.gz AJQKVKGKALDXTO-GFCCVEGCSA-N 0 1 376.956 3.406 20 0 GGADMN Cc1nc(S(=O)(=O)Nc2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)c[nH]1 ZINC000600664846 566355138 /nfs/dbraw/zinc/35/51/38/566355138.db2.gz ITMXVUDGERYOFL-UHFFFAOYSA-N 0 1 389.836 3.267 20 0 GGADMN C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000536146153 566355202 /nfs/dbraw/zinc/35/52/02/566355202.db2.gz YVNIXJIXGRUSEC-PWSUYJOCSA-N 0 1 384.454 3.052 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000576528898 566355431 /nfs/dbraw/zinc/35/54/31/566355431.db2.gz KCHNIMGCWHIDCD-UHFFFAOYSA-N 0 1 392.297 3.483 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cn3ccc(Br)cc3n2)n[nH]1 ZINC000557027365 566356302 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CCSCc1ccnc(NS(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421231121 566357905 /nfs/dbraw/zinc/35/79/05/566357905.db2.gz JAEBSVHLCHFAKA-KRWDZBQOSA-N 0 1 380.535 3.334 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1F ZINC000446626440 566358361 /nfs/dbraw/zinc/35/83/61/566358361.db2.gz XMBHXTFLIWPHAQ-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670393000 566358427 /nfs/dbraw/zinc/35/84/27/566358427.db2.gz NJEVDPAJQXDXSZ-MRXNPFEDSA-N 0 1 381.314 3.084 20 0 GGADMN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(SC)cc2OC)c1 ZINC000446622755 566358737 /nfs/dbraw/zinc/35/87/37/566358737.db2.gz HFUFGFJDBOGFKA-UHFFFAOYSA-N 0 1 381.475 3.395 20 0 GGADMN O=C(Nc1ccc(Br)cc1)N1CCC(CCN2CCOCC2)CC1 ZINC000557068699 566358691 /nfs/dbraw/zinc/35/86/91/566358691.db2.gz PGWKVYFMHSLCNE-UHFFFAOYSA-N 0 1 396.329 3.415 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1coc(C2CCOCC2)n1 ZINC000510041885 566359445 /nfs/dbraw/zinc/35/94/45/566359445.db2.gz FIQKULWPEBJIIZ-UHFFFAOYSA-N 0 1 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CCSCc1ccnc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000536421918 566371081 /nfs/dbraw/zinc/37/10/81/566371081.db2.gz YBEBUJYBKSJLEC-UHFFFAOYSA-N 0 1 379.507 3.118 20 0 GGADMN Cc1[nH]nc2ncc(NC(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)cc12 ZINC000536427636 566371299 /nfs/dbraw/zinc/37/12/99/566371299.db2.gz YEZHRFPQAPMEPW-UHFFFAOYSA-N 0 1 398.220 3.123 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1nc2ccccc2s1 ZINC000576700477 566371508 /nfs/dbraw/zinc/37/15/08/566371508.db2.gz LCOXEOSMAGOATK-UHFFFAOYSA-N 0 1 381.548 3.110 20 0 GGADMN C[C@H]1CCCN1C(=O)CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483278558 566371427 /nfs/dbraw/zinc/37/14/27/566371427.db2.gz IQSPGXSHAXIBDL-XHDPSFHLSA-N 0 1 378.822 3.383 20 0 GGADMN COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000557206913 566371832 /nfs/dbraw/zinc/37/18/32/566371832.db2.gz NDJVRSDFQYZFAC-MRXNPFEDSA-N 0 1 393.281 3.196 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)Nc1ccc(Cl)cc1Cl ZINC000625990372 566372021 /nfs/dbraw/zinc/37/20/21/566372021.db2.gz 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COC(=O)[C@@](C)(CNCc1ncc(Br)s1)c1ccc(F)cc1 ZINC000447062151 566381584 /nfs/dbraw/zinc/38/15/84/566381584.db2.gz XIZODPADIIIZIB-HNNXBMFYSA-N 0 1 387.274 3.265 20 0 GGADMN CS[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1N1CCCC1 ZINC000483418377 566381994 /nfs/dbraw/zinc/38/19/94/566381994.db2.gz ZBVIQQGWGZDTKU-BXUZGUMPSA-N 0 1 396.607 3.076 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@H]1CCSC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000536539785 566382429 /nfs/dbraw/zinc/38/24/29/566382429.db2.gz AKWYJZHKEXYWOP-FZMZJTMJSA-N 0 1 380.901 3.005 20 0 GGADMN COC(=O)c1cc(CNCc2cnn(-c3ccc(Br)cc3)c2)c[nH]1 ZINC000447063012 566383153 /nfs/dbraw/zinc/38/31/53/566383153.db2.gz HGPAZIPBUKAACI-UHFFFAOYSA-N 0 1 389.253 3.039 20 0 GGADMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)C1CCOCC1 ZINC000536554436 566383433 /nfs/dbraw/zinc/38/34/33/566383433.db2.gz MTZMSKZTWQZNTL-UHFFFAOYSA-N 0 1 382.283 3.322 20 0 GGADMN CCOc1ccc(Cl)c(NS(=O)(=O)c2sc(NC(C)=O)nc2C)c1 ZINC000649665067 566383717 /nfs/dbraw/zinc/38/37/17/566383717.db2.gz 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566384389 /nfs/dbraw/zinc/38/43/89/566384389.db2.gz RHBQWRJONICJGZ-GFCCVEGCSA-N 0 1 395.326 3.331 20 0 GGADMN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000510470307 566384724 /nfs/dbraw/zinc/38/47/24/566384724.db2.gz BGJUCAHJISFFSH-DGCLKSJQSA-N 0 1 380.407 3.092 20 0 GGADMN Cn1nnc2cc(CNCc3cnn(-c4ccc(Br)cc4)c3)ccc21 ZINC000447084178 566384773 /nfs/dbraw/zinc/38/47/73/566384773.db2.gz DLTXCAMFRIAMCR-UHFFFAOYSA-N 0 1 397.280 3.206 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000447073738 566385228 /nfs/dbraw/zinc/38/52/28/566385228.db2.gz YMGIIZRTOVXLIV-UHFFFAOYSA-N 0 1 383.901 3.036 20 0 GGADMN CN(CCC(F)(F)F)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000463140533 566385551 /nfs/dbraw/zinc/38/55/51/566385551.db2.gz XAEVCWRTKLIJFW-UHFFFAOYSA-N 0 1 397.138 3.192 20 0 GGADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ccccc1Br ZINC000510471310 566386268 /nfs/dbraw/zinc/38/62/68/566386268.db2.gz IBSSENSSLKTDLZ-UHFFFAOYSA-N 0 1 389.359 3.336 20 0 GGADMN CC(C)O[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000649696639 566386158 /nfs/dbraw/zinc/38/61/58/566386158.db2.gz KCAPECHFWMFAJK-INIZCTEOSA-N 0 1 383.330 3.297 20 0 GGADMN COc1ccsc1CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000447100492 566386592 /nfs/dbraw/zinc/38/65/92/566386592.db2.gz MPLFKXFAHQDEEF-ZDUSSCGKSA-N 0 1 381.295 3.414 20 0 GGADMN CC(C)(C)n1cc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447093735 566386638 /nfs/dbraw/zinc/38/66/38/566386638.db2.gz MDYIVJYJRRXMTD-MRXNPFEDSA-N 0 1 391.313 3.296 20 0 GGADMN CC(C)Cn1cc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447094337 566386703 /nfs/dbraw/zinc/38/67/03/566386703.db2.gz RBIUSIRPXSTDMQ-QGZVFWFLSA-N 0 1 391.313 3.197 20 0 GGADMN CC[C@](NS(=O)(=O)c1ccccc1SC)(C(=O)OC)c1ccccc1 ZINC000510485139 566386757 /nfs/dbraw/zinc/38/67/57/566386757.db2.gz INKNTDIRDKQDTE-GOSISDBHSA-N 0 1 379.503 3.165 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000510501144 566388278 /nfs/dbraw/zinc/38/82/78/566388278.db2.gz IFUFJYIYHBDKPH-PWSUYJOCSA-N 0 1 393.372 3.066 20 0 GGADMN O=S(=O)(c1cccc2c(Cl)ccnc21)N1CC[C@H](N2CCCCC2)C1 ZINC000649743653 566388483 /nfs/dbraw/zinc/38/84/83/566388483.db2.gz JMPKMJMZTUZXHL-AWEZNQCLSA-N 0 1 379.913 3.137 20 0 GGADMN O=S(=O)(c1ccc(Br)s1)N1CCCN(CC2CCC2)CC1 ZINC000483535405 566388900 /nfs/dbraw/zinc/38/89/00/566388900.db2.gz YODCMLKJCUODBO-UHFFFAOYSA-N 0 1 393.372 3.007 20 0 GGADMN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000510517603 566389916 /nfs/dbraw/zinc/38/99/16/566389916.db2.gz JRYZOVSSEYTKDB-VXGBXAGGSA-N 0 1 380.407 3.092 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H](C)Cc2ccccc2F)sc1Br ZINC000536660861 566390073 /nfs/dbraw/zinc/39/00/73/566390073.db2.gz OGJISEXOQASCBM-MRVPVSSYSA-N 0 1 393.303 3.263 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000536653481 566390122 /nfs/dbraw/zinc/39/01/22/566390122.db2.gz WAYXIRXOFVMBIZ-UHFFFAOYSA-N 0 1 399.292 3.283 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000447159957 566391072 /nfs/dbraw/zinc/39/10/72/566391072.db2.gz WRSMBFPYHJOAHE-XJKSGUPXSA-N 0 1 392.309 3.211 20 0 GGADMN C[C@@H](CN[C@@H](c1nnc[nH]1)c1cccnc1)Oc1ccccc1Br ZINC000576933682 566391293 /nfs/dbraw/zinc/39/12/93/566391293.db2.gz PTPHXRRESXEFQC-BLLLJJGKSA-N 0 1 388.269 3.109 20 0 GGADMN CS(=O)(=O)NCCN(Cc1cccc2c(Br)cccc12)C1CC1 ZINC000463200861 566391459 /nfs/dbraw/zinc/39/14/59/566391459.db2.gz CFKVKBPFEZDSPE-UHFFFAOYSA-N 0 1 397.338 3.116 20 0 GGADMN CN(CC(=O)N1CCC[C@@H]1Cc1ccccc1Br)[C@@H]1CCSC1 ZINC000421622145 566391517 /nfs/dbraw/zinc/39/15/17/566391517.db2.gz ZXHZEYWHZMSKPH-HZPDHXFCSA-N 0 1 397.382 3.420 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1Br ZINC000463199636 566391692 /nfs/dbraw/zinc/39/16/92/566391692.db2.gz PYLJAYUZUAYHJC-KGLIPLIRSA-N 0 1 395.750 3.053 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000447167427 566392139 /nfs/dbraw/zinc/39/21/39/566392139.db2.gz IORMXOLLZMEZFU-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)sc1Br ZINC000536684243 566392215 /nfs/dbraw/zinc/39/22/15/566392215.db2.gz PPSQOFPRNNHTLH-FRRDWIJNSA-N 0 1 399.335 3.221 20 0 GGADMN COc1cc(CN2CCN(C)C[C@@H]2C)cc(Br)c1OC(F)F ZINC000536671900 566392679 /nfs/dbraw/zinc/39/26/79/566392679.db2.gz XWWVORGNIWCKTA-JTQLQIEISA-N 0 1 379.245 3.195 20 0 GGADMN CN(CCCN(C)C(=O)Nc1cc(Br)ccn1)Cc1ccco1 ZINC000483574281 566392637 /nfs/dbraw/zinc/39/26/37/566392637.db2.gz LGYPZQNAPFMFFL-UHFFFAOYSA-N 0 1 381.274 3.423 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000447171708 566392683 /nfs/dbraw/zinc/39/26/83/566392683.db2.gz KJNBUPLADVYPLH-UHFFFAOYSA-N 0 1 391.320 3.480 20 0 GGADMN CCN1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)[C@H](C)C1 ZINC000557525827 566392952 /nfs/dbraw/zinc/39/29/52/566392952.db2.gz SDWPNEARARAAOG-CQSZACIVSA-N 0 1 375.563 3.494 20 0 GGADMN Cc1cc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)sc1Br ZINC000510537721 566393129 /nfs/dbraw/zinc/39/31/29/566393129.db2.gz JLZPTOLPBKIOQK-NWDGAFQWSA-N 0 1 393.372 3.066 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447188602 566393695 /nfs/dbraw/zinc/39/36/95/566393695.db2.gz YPIAURWLRUWQRL-AWEZNQCLSA-N 0 1 385.335 3.500 20 0 GGADMN CCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)nc2)cc1Cl ZINC000536701904 566393934 /nfs/dbraw/zinc/39/39/34/566393934.db2.gz WLWUGVPMDCOELX-UHFFFAOYSA-N 0 1 384.841 3.111 20 0 GGADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000510561736 566394616 /nfs/dbraw/zinc/39/46/16/566394616.db2.gz XIVDEWULSJCJLM-MNOVXSKESA-N 0 1 381.300 3.380 20 0 GGADMN CN(CCc1ccc2c(c1)CCO2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000536744063 566397310 /nfs/dbraw/zinc/39/73/10/566397310.db2.gz HQYCWCARSLKEFE-SFHVURJKSA-N 0 1 389.293 3.085 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCN(CCCC2CCOCC2)CC1 ZINC000463285330 566397429 /nfs/dbraw/zinc/39/74/29/566397429.db2.gz IMDPLYLRMIYPHI-UHFFFAOYSA-N 0 1 395.341 3.414 20 0 GGADMN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(Cl)cc1Br ZINC000463291390 566397953 /nfs/dbraw/zinc/39/79/53/566397953.db2.gz ZJJVYWUKIPJUBP-OAHLLOKOSA-N 0 1 378.694 3.285 20 0 GGADMN COC(=O)Cc1sccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000601269492 566398535 /nfs/dbraw/zinc/39/85/35/566398535.db2.gz GEKNYTMTXYVBET-HNNXBMFYSA-N 0 1 380.897 3.150 20 0 GGADMN CN(CC[C@H]1CCCCN1C)c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000557583923 566399637 /nfs/dbraw/zinc/39/96/37/566399637.db2.gz QRBCKCYFHCWXEB-CYBMUJFWSA-N 0 1 378.460 3.420 20 0 GGADMN CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c(C)c1 ZINC000447277410 566399743 /nfs/dbraw/zinc/39/97/43/566399743.db2.gz HDMXKUUGOVWUSQ-UHFFFAOYSA-N 0 1 382.869 3.208 20 0 GGADMN COCCN1CC[C@H](NC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)C1 ZINC000536764469 566399990 /nfs/dbraw/zinc/39/99/90/566399990.db2.gz WOBLTGQUDJQAPH-OCCSQVGLSA-N 0 1 386.323 3.343 20 0 GGADMN COCCN1CC[C@@H](NC(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)C1 ZINC000536764466 566400371 /nfs/dbraw/zinc/40/03/71/566400371.db2.gz WOBLTGQUDJQAPH-GXTWGEPZSA-N 0 1 386.323 3.343 20 0 GGADMN COC(=O)c1csc([C@H](C)NCc2ccnc(N3CCSCC3)c2)c1 ZINC000601302101 566400504 /nfs/dbraw/zinc/40/05/04/566400504.db2.gz GFJVKDYQDHBJFB-ZDUSSCGKSA-N 0 1 377.535 3.334 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(Br)ccc1OC(F)F ZINC000577064519 566400922 /nfs/dbraw/zinc/40/09/22/566400922.db2.gz DFHYFTPLQLMXRM-SNVBAGLBSA-N 0 1 375.213 3.017 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1N1CCN(CC2CCOCC2)CC1 ZINC000557600445 566400786 /nfs/dbraw/zinc/40/07/86/566400786.db2.gz FFUNBQJVPTVOGL-UHFFFAOYSA-N 0 1 387.307 3.329 20 0 GGADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)cc1F ZINC000447281566 566400764 /nfs/dbraw/zinc/40/07/64/566400764.db2.gz SMEPHOGGJZAMRR-UHFFFAOYSA-N 0 1 383.466 3.298 20 0 GGADMN COC[C@@H](C)OC[C@@H](O)CN(Cc1ccccc1Br)C(C)(C)C ZINC000447299221 566401000 /nfs/dbraw/zinc/40/10/00/566401000.db2.gz OVELPJZJWAZKSN-ZBFHGGJFSA-N 0 1 388.346 3.462 20 0 GGADMN CC(C)OC1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000649866841 566401565 /nfs/dbraw/zinc/40/15/65/566401565.db2.gz QUCOPHJACFUPLU-UHFFFAOYSA-N 0 1 381.416 3.426 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN(Cc1ccccc1Br)C(C)(C)C ZINC000447299219 566402030 /nfs/dbraw/zinc/40/20/30/566402030.db2.gz OVELPJZJWAZKSN-GOEBONIOSA-N 0 1 388.346 3.462 20 0 GGADMN Cc1cc(NC(=O)c2nc(Cc3c(F)ccc(Br)c3F)no2)no1 ZINC000671158712 566402275 /nfs/dbraw/zinc/40/22/75/566402275.db2.gz UDTZGTGIEBRPNM-UHFFFAOYSA-N 0 1 399.151 3.250 20 0 GGADMN COC[C@@H](C)OC[C@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000447318966 566403193 /nfs/dbraw/zinc/40/31/93/566403193.db2.gz VOWAYXAHPZCDRH-DGCLKSJQSA-N 0 1 381.822 3.350 20 0 GGADMN Cn1cc(C=Cc2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)cn1 ZINC000671157844 566403174 /nfs/dbraw/zinc/40/31/74/566403174.db2.gz WLWAVUZXOTUAND-AATRIKPKSA-N 0 1 398.224 3.188 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCCSC2)CC1 ZINC000483818064 566403659 /nfs/dbraw/zinc/40/36/59/566403659.db2.gz HFEMXWOTRXGNMR-HNNXBMFYSA-N 0 1 382.961 3.499 20 0 GGADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1OCCCO ZINC000463363150 566403723 /nfs/dbraw/zinc/40/37/23/566403723.db2.gz YNKPKNRREDZMOS-LLVKDONJSA-N 0 1 395.301 3.057 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000510674295 566404246 /nfs/dbraw/zinc/40/42/46/566404246.db2.gz IJHAPWYUULMDQB-FRRDWIJNSA-N 0 1 379.555 3.176 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@@H]1CCC[C@@H](F)C1 ZINC000577103536 566404459 /nfs/dbraw/zinc/40/44/59/566404459.db2.gz NYYQZOCKHXZELF-CHWSQXEVSA-N 0 1 396.264 3.314 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000577103536 566404464 /nfs/dbraw/zinc/40/44/64/566404464.db2.gz NYYQZOCKHXZELF-CHWSQXEVSA-N 0 1 396.264 3.314 20 0 GGADMN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000577108613 566405387 /nfs/dbraw/zinc/40/53/87/566405387.db2.gz ADMPFYHXYNEYJW-NKWVEPMBSA-N 0 1 390.130 3.160 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000536831687 566405427 /nfs/dbraw/zinc/40/54/27/566405427.db2.gz IUQRLNAZOYKLJC-AWEZNQCLSA-N 0 1 382.551 3.311 20 0 GGADMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000671183733 566405550 /nfs/dbraw/zinc/40/55/50/566405550.db2.gz MKCZRPLLJAXDPD-UHFFFAOYSA-N 0 1 378.841 3.071 20 0 GGADMN C[C@H](NCCC(=O)N1CCCCC1)c1ccccc1I ZINC000536835673 566405559 /nfs/dbraw/zinc/40/55/59/566405559.db2.gz ZPMHJRLRDKYZNA-ZDUSSCGKSA-N 0 1 386.277 3.344 20 0 GGADMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccc(I)cc1 ZINC000536884352 566408989 /nfs/dbraw/zinc/40/89/89/566408989.db2.gz CVSJSJIXJZLYGY-ZDUSSCGKSA-N 0 1 392.306 3.303 20 0 GGADMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000577108615 566406136 /nfs/dbraw/zinc/40/61/36/566406136.db2.gz ADMPFYHXYNEYJW-RQJHMYQMSA-N 0 1 390.130 3.160 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H]3CCSc4c(Cl)cccc43)C2=O)n(C)n1 ZINC000536875671 566406453 /nfs/dbraw/zinc/40/64/53/566406453.db2.gz JDIKWMGYRXJFNX-GJZGRUSLSA-N 0 1 376.913 3.314 20 0 GGADMN C[C@H](NCCn1cnnc1C1CC1)c1ccccc1I ZINC000536857608 566406582 /nfs/dbraw/zinc/40/65/82/566406582.db2.gz LZRRABDKLPGKPX-NSHDSACASA-N 0 1 382.249 3.111 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H]3CCSc4c(Cl)cccc43)C2=O)n(C)n1 ZINC000536875673 566406982 /nfs/dbraw/zinc/40/69/82/566406982.db2.gz JDIKWMGYRXJFNX-LSDHHAIUSA-N 0 1 376.913 3.314 20 0 GGADMN Cn1ccc(N2CCC[C@H](N[C@H]3CCSc4c(Cl)cccc43)C2=O)n1 ZINC000536877318 566407178 /nfs/dbraw/zinc/40/71/78/566407178.db2.gz MBTSHLCUHUZWJR-GJZGRUSLSA-N 0 1 376.913 3.396 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000577140165 566407277 /nfs/dbraw/zinc/40/72/77/566407277.db2.gz URTSMCDGATXZHQ-NVXWUHKLSA-N 0 1 376.547 3.350 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000577140164 566407455 /nfs/dbraw/zinc/40/74/55/566407455.db2.gz URTSMCDGATXZHQ-DOTOQJQBSA-N 0 1 376.547 3.350 20 0 GGADMN CN(CCCN(C)S(=O)(=O)Cc1ccc(Cl)c(F)c1)Cc1ccco1 ZINC000510717151 566407555 /nfs/dbraw/zinc/40/75/55/566407555.db2.gz XHKNGGRQBLPEMH-UHFFFAOYSA-N 0 1 388.892 3.356 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000577140167 566407740 /nfs/dbraw/zinc/40/77/40/566407740.db2.gz URTSMCDGATXZHQ-WBVHZDCISA-N 0 1 376.547 3.350 20 0 GGADMN CN(CCc1cccc(Br)c1)CC(=O)NC(=O)Nc1ccccc1 ZINC000463423194 566408362 /nfs/dbraw/zinc/40/83/62/566408362.db2.gz CSMOLCYTOIPXKZ-UHFFFAOYSA-N 0 1 390.281 3.272 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc2c[nH]nc2c1 ZINC000671193371 566408503 /nfs/dbraw/zinc/40/85/03/566408503.db2.gz LLZFEFGTRUENFU-UHFFFAOYSA-N 0 1 377.897 3.342 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1N1CCC[C@H](CN2CCOCC2)C1 ZINC000557685706 566408782 /nfs/dbraw/zinc/40/87/82/566408782.db2.gz IBHOAPCHOWVMRO-CYBMUJFWSA-N 0 1 387.307 3.329 20 0 GGADMN COCC[C@]1(NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCOC1 ZINC000447398302 566409052 /nfs/dbraw/zinc/40/90/52/566409052.db2.gz SEUSCZWUVINWSN-HNNXBMFYSA-N 0 1 381.687 3.371 20 0 GGADMN COCC1(C)CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000536885311 566408909 /nfs/dbraw/zinc/40/89/09/566408909.db2.gz KMXIAMCOYFQZAP-UHFFFAOYSA-N 0 1 389.359 3.218 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1nc(-c2ccccc2Cl)cs1 ZINC000510751455 566410038 /nfs/dbraw/zinc/41/00/38/566410038.db2.gz MBJDINPMTLKNHE-GJZGRUSLSA-N 0 1 399.969 3.414 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccccc2Cl)cs1 ZINC000510751458 566410222 /nfs/dbraw/zinc/41/02/22/566410222.db2.gz MBJDINPMTLKNHE-LSDHHAIUSA-N 0 1 399.969 3.414 20 0 GGADMN Cc1c(Cl)cccc1N1CCCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000671226978 566411274 /nfs/dbraw/zinc/41/12/74/566411274.db2.gz UTEUYUXAUBOEFL-MRXNPFEDSA-N 0 1 381.973 3.124 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000577158241 566411439 /nfs/dbraw/zinc/41/14/39/566411439.db2.gz JBAHEUPEYSQULM-UHFFFAOYSA-N 0 1 387.355 3.209 20 0 GGADMN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cncc(Cl)c3)ccc21 ZINC000536905256 566411945 /nfs/dbraw/zinc/41/19/45/566411945.db2.gz MXMWXMGYIBTAJQ-UHFFFAOYSA-N 0 1 379.869 3.225 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccncc2Cl)cc1 ZINC000421825234 566411963 /nfs/dbraw/zinc/41/19/63/566411963.db2.gz MNALXNPVSHHJJY-CQSZACIVSA-N 0 1 381.929 3.414 20 0 GGADMN COC1CCN([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000463468350 566412310 /nfs/dbraw/zinc/41/23/10/566412310.db2.gz DKQDKSZILBFOCY-QGZVFWFLSA-N 0 1 381.314 3.364 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1Cl ZINC000510776243 566412420 /nfs/dbraw/zinc/41/24/20/566412420.db2.gz BZXBCQMCJDIJBM-KGLIPLIRSA-N 0 1 395.750 3.053 20 0 GGADMN O=C1[C@H](N2CCC3(CCOCC3)CC2)CCN1c1cccc(Br)c1 ZINC000671252158 566412992 /nfs/dbraw/zinc/41/29/92/566412992.db2.gz PLKZZTKAGUVDGS-QGZVFWFLSA-N 0 1 393.325 3.447 20 0 GGADMN CS(=O)(=O)N1CC[C@H](NCc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000577184094 566413101 /nfs/dbraw/zinc/41/31/01/566413101.db2.gz JKMWXUZEUPWENO-NSHDSACASA-N 0 1 389.304 3.377 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)[C@@]34C[C@@H]3CCC4)cc2Br)CC1 ZINC000421870055 566413330 /nfs/dbraw/zinc/41/33/30/566413330.db2.gz JQUPDPSHAWLVJL-KXBFYZLASA-N 0 1 392.341 3.325 20 0 GGADMN CC[C@@H](CNC(=O)c1ccnc(CN)c1)Cc1cccc(Br)c1 ZINC000463481078 566413407 /nfs/dbraw/zinc/41/34/07/566413407.db2.gz BFLUANFBZQWFCI-CYBMUJFWSA-N 0 1 376.298 3.302 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCN(C(C)C)CC3)C2=O)ccc1Br ZINC000463477871 566413547 /nfs/dbraw/zinc/41/35/47/566413547.db2.gz FBTBGOVFVDNUPO-GOSISDBHSA-N 0 1 394.357 3.279 20 0 GGADMN C[C@@H](CNC(=O)c1ccnc(CN)c1)Sc1ccc(Br)cc1 ZINC000463479057 566413945 /nfs/dbraw/zinc/41/39/45/566413945.db2.gz PIJUZRXYLCITBK-NSHDSACASA-N 0 1 380.311 3.213 20 0 GGADMN NCc1cc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)ccn1 ZINC000463480407 566414111 /nfs/dbraw/zinc/41/41/11/566414111.db2.gz VYAKJNFUCFYEQQ-INIZCTEOSA-N 0 1 384.238 3.200 20 0 GGADMN NCc1cc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)ccn1 ZINC000463491001 566414292 /nfs/dbraw/zinc/41/42/92/566414292.db2.gz OSPZDXMNHKOJOI-UHFFFAOYSA-N 0 1 378.245 3.247 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC(OCCCc3ccccc3)C2)c1Br ZINC000447517291 566414534 /nfs/dbraw/zinc/41/45/34/566414534.db2.gz KGNKFJQXHDALMJ-UHFFFAOYSA-N 0 1 392.297 3.208 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000536945199 566414624 /nfs/dbraw/zinc/41/46/24/566414624.db2.gz SLVYAQKPCOCPFA-KDOFPFPSSA-N 0 1 383.330 3.373 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3Br)C2)n1 ZINC000577201189 566414651 /nfs/dbraw/zinc/41/46/51/566414651.db2.gz PJYSWXHVTVMFBW-WCQYABFASA-N 0 1 392.301 3.001 20 0 GGADMN Cc1nnc([C@@H]2CCN([C@@H](C)C(=O)Nc3ccc(C)cc3Br)C2)[nH]1 ZINC000577201189 566414656 /nfs/dbraw/zinc/41/46/56/566414656.db2.gz PJYSWXHVTVMFBW-WCQYABFASA-N 0 1 392.301 3.001 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000536945200 566415052 /nfs/dbraw/zinc/41/50/52/566415052.db2.gz SLVYAQKPCOCPFA-KSSFIOAISA-N 0 1 383.330 3.373 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000536945201 566415065 /nfs/dbraw/zinc/41/50/65/566415065.db2.gz SLVYAQKPCOCPFA-RDTXWAMCSA-N 0 1 383.330 3.373 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)nn1 ZINC000484043664 566415161 /nfs/dbraw/zinc/41/51/61/566415161.db2.gz OROVJGGWCQVWEH-UHFFFAOYSA-N 0 1 385.289 3.456 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2C[C@H](O)C(C)(C)C2)C1=O ZINC000510815000 566415859 /nfs/dbraw/zinc/41/58/59/566415859.db2.gz VKOPKCLCSBWANE-CVEARBPZSA-N 0 1 395.341 3.264 20 0 GGADMN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1csc(=NC2CC2)[nH]1 ZINC000536998663 566416922 /nfs/dbraw/zinc/41/69/22/566416922.db2.gz DQDHOENAERUVOD-ZFWWWQNUSA-N 0 1 381.860 3.192 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)OC(C)(C)C ZINC000557782219 566417675 /nfs/dbraw/zinc/41/76/75/566417675.db2.gz JYJHWGOKYUAIAN-LBPRGKRZSA-N 0 1 383.844 3.263 20 0 GGADMN O=C(Nc1nnc(C2CCOCC2)s1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000650058798 566418286 /nfs/dbraw/zinc/41/82/86/566418286.db2.gz JZXOXAMYKWGKCO-WDEREUQCSA-N 0 1 379.404 3.118 20 0 GGADMN C[C@@H](N[C@@H]1CCc2c1cccc2Br)c1cccc(S(N)(=O)=O)c1 ZINC000537014304 566418291 /nfs/dbraw/zinc/41/82/91/566418291.db2.gz JLQMWYJGRBILEY-PIGZYNQJSA-N 0 1 395.322 3.435 20 0 GGADMN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2cncc(C)c2)cc1Br ZINC000537035790 566419626 /nfs/dbraw/zinc/41/96/26/566419626.db2.gz WBGIIMILKUJZQB-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN O=S(=O)(NCc1noc(-c2cccs2)n1)c1c(Cl)ccc(F)c1F ZINC000557808823 566420710 /nfs/dbraw/zinc/42/07/10/566420710.db2.gz OKPCCEPFCVQJKG-UHFFFAOYSA-N 0 1 391.808 3.208 20 0 GGADMN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccccc1I ZINC000484279021 566423107 /nfs/dbraw/zinc/42/31/07/566423107.db2.gz GOWWGASJHQDNMG-FRRDWIJNSA-N 0 1 375.250 3.136 20 0 GGADMN COC(=O)C(C)(C)CCN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510922941 566421509 /nfs/dbraw/zinc/42/15/09/566421509.db2.gz WFOMGQJJJQCDMD-UHFFFAOYSA-N 0 1 398.301 3.330 20 0 GGADMN CCc1cccc(NC(=O)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000557813462 566421865 /nfs/dbraw/zinc/42/18/65/566421865.db2.gz FVQBGQBWQSLQGV-UHFFFAOYSA-N 0 1 388.823 3.098 20 0 GGADMN O=C1[C@@H](NCc2cc3cc(Br)ccc3o2)CCN1CC(F)(F)F ZINC000577297030 566422122 /nfs/dbraw/zinc/42/21/22/566422122.db2.gz WUGPLZNQNJTUQL-LBPRGKRZSA-N 0 1 391.187 3.448 20 0 GGADMN COc1ccsc1[C@H](C)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510957655 566422348 /nfs/dbraw/zinc/42/23/48/566422348.db2.gz ILFACIBOROJXKK-JTQLQIEISA-N 0 1 392.905 3.178 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2nnsc2Cl)CC1 ZINC000537108405 566422595 /nfs/dbraw/zinc/42/25/95/566422595.db2.gz RZHLCFVHTGSLHP-GFCCVEGCSA-N 0 1 383.924 3.323 20 0 GGADMN C[N@@H+](CC(=O)NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CCSC1 ZINC000484291390 566422694 /nfs/dbraw/zinc/42/26/94/566422694.db2.gz NLDFATRPRRFYDN-INIZCTEOSA-N 0 1 397.382 3.424 20 0 GGADMN CN(CC(=O)NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CCSC1 ZINC000484291390 566422703 /nfs/dbraw/zinc/42/27/03/566422703.db2.gz NLDFATRPRRFYDN-INIZCTEOSA-N 0 1 397.382 3.424 20 0 GGADMN C[N@@H+](CC(=O)NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCSC1 ZINC000484291391 566422904 /nfs/dbraw/zinc/42/29/04/566422904.db2.gz NLDFATRPRRFYDN-MRXNPFEDSA-N 0 1 397.382 3.424 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000447694318 566422868 /nfs/dbraw/zinc/42/28/68/566422868.db2.gz HIOJZLKHCDKEBC-UHFFFAOYSA-N 0 1 379.207 3.265 20 0 GGADMN CN(CC(=O)NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCSC1 ZINC000484291391 566422914 /nfs/dbraw/zinc/42/29/14/566422914.db2.gz NLDFATRPRRFYDN-MRXNPFEDSA-N 0 1 397.382 3.424 20 0 GGADMN CC(C)CN1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000510961083 566423346 /nfs/dbraw/zinc/42/33/46/566423346.db2.gz UPQHBHZPHLAMFI-ZDUSSCGKSA-N 0 1 387.293 3.156 20 0 GGADMN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccccc1I ZINC000484279023 566423521 /nfs/dbraw/zinc/42/35/21/566423521.db2.gz GOWWGASJHQDNMG-JHJVBQTASA-N 0 1 375.250 3.136 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)c3c2OCCC3)n[nH]1 ZINC000577334631 566425747 /nfs/dbraw/zinc/42/57/47/566425747.db2.gz NZWQFQPFCCAHAP-SNVBAGLBSA-N 0 1 378.270 3.167 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cc(Br)c(F)cc1Cl ZINC000671518730 566425853 /nfs/dbraw/zinc/42/58/53/566425853.db2.gz VRONCYCEQHZMJK-UHFFFAOYSA-N 0 1 376.617 3.114 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1CCCc1c(F)cccc1Cl ZINC000447735939 566426316 /nfs/dbraw/zinc/42/63/16/566426316.db2.gz IGVQZPRBXBUZBV-CQSZACIVSA-N 0 1 376.925 3.206 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1Br)c1ccc([S@@](C)=O)cc1 ZINC000537160937 566427348 /nfs/dbraw/zinc/42/73/48/566427348.db2.gz PIGUEBQVMXOJLM-SFDCACGMSA-N 0 1 395.322 3.476 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000650152366 566427504 /nfs/dbraw/zinc/42/75/04/566427504.db2.gz CZYZWPCGHHTNFU-MGPQQGTHSA-N 0 1 391.313 3.188 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1OC ZINC000650145592 566427540 /nfs/dbraw/zinc/42/75/40/566427540.db2.gz NJYWFHCMVUNFBT-FRRDWIJNSA-N 0 1 399.329 3.410 20 0 GGADMN COC(=O)C[C@@]1(NCc2cc(Br)cc(C(F)(F)F)c2)CCOC1 ZINC000463696015 566427698 /nfs/dbraw/zinc/42/76/98/566427698.db2.gz AQLDXMLFTHYZFG-AWEZNQCLSA-N 0 1 396.203 3.280 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C)CN1C ZINC000650151294 566427945 /nfs/dbraw/zinc/42/79/45/566427945.db2.gz JMRGTMQFGXMWSV-BFHYXJOUSA-N 0 1 391.313 3.188 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H](C)CN1C ZINC000650155457 566428097 /nfs/dbraw/zinc/42/80/97/566428097.db2.gz AMWDKXHSUMRVFQ-BFHYXJOUSA-N 0 1 391.313 3.188 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000422037440 566428914 /nfs/dbraw/zinc/42/89/14/566428914.db2.gz PBYVFDFZQBRAID-HNNXBMFYSA-N 0 1 377.286 3.124 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)N1CCCC1 ZINC000577367623 566429174 /nfs/dbraw/zinc/42/91/74/566429174.db2.gz APUXQQNEPBZZBN-NSHDSACASA-N 0 1 395.750 3.006 20 0 GGADMN CCn1nnnc1-c1cccc(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000537196071 566430338 /nfs/dbraw/zinc/43/03/38/566430338.db2.gz PZTXAEHUINNHPH-UHFFFAOYSA-N 0 1 377.857 3.123 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447787693 566430464 /nfs/dbraw/zinc/43/04/64/566430464.db2.gz LHMYLODZJRTASK-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447782907 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COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)OC)c1 ZINC000577805764 566465489 /nfs/dbraw/zinc/46/54/89/566465489.db2.gz GXNDJFSIIFOAQX-UHFFFAOYSA-N 0 1 383.853 3.382 20 0 GGADMN Cc1nnc(SCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)[nH]1 ZINC000511433454 566465505 /nfs/dbraw/zinc/46/55/05/566465505.db2.gz VGFOXYGNONNYPB-UHFFFAOYSA-N 0 1 399.289 3.298 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)n1 ZINC000511433454 566465513 /nfs/dbraw/zinc/46/55/13/566465513.db2.gz VGFOXYGNONNYPB-UHFFFAOYSA-N 0 1 399.289 3.298 20 0 GGADMN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(C)c(Br)s2)C1 ZINC000511479829 566466863 /nfs/dbraw/zinc/46/68/63/566466863.db2.gz IDQLSLTZQPBATG-QWHCGFSZSA-N 0 1 389.359 3.182 20 0 GGADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(C)c(Br)s2)C1 ZINC000511479830 566467078 /nfs/dbraw/zinc/46/70/78/566467078.db2.gz IDQLSLTZQPBATG-STQMWFEESA-N 0 1 389.359 3.182 20 0 GGADMN CO[C@H](c1ccc(F)cc1)[C@@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000537743669 566468009 /nfs/dbraw/zinc/46/80/09/566468009.db2.gz QBBJWDWFXWFWIA-PSLIRLAXSA-N 0 1 377.359 3.298 20 0 GGADMN COc1ccc(CN2CCC[C@H](CCNC(C)=O)C2)c(Br)c1OC ZINC000577848140 566469614 /nfs/dbraw/zinc/46/96/14/566469614.db2.gz YMBOIPKBCCJFIR-CQSZACIVSA-N 0 1 399.329 3.205 20 0 GGADMN CCOC(=O)[C@@](C)(CNCc1c(Br)c(C)nn1C)c1ccccc1 ZINC000448351475 566471304 /nfs/dbraw/zinc/47/13/04/566471304.db2.gz AMUFPOVWYQZCFF-SFHVURJKSA-N 0 1 394.313 3.102 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c2ccc(Br)cc2n1 ZINC000537818864 566473877 /nfs/dbraw/zinc/47/38/77/566473877.db2.gz JIJMWKUZXAJATQ-OLZOCXBDSA-N 0 1 376.298 3.470 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)cc21 ZINC000537808051 566474134 /nfs/dbraw/zinc/47/41/34/566474134.db2.gz JICJZNBQQMNOES-QWRGUYRKSA-N 0 1 380.286 3.104 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)COc1ccc(Br)cc1Cl ZINC000537808132 566474146 /nfs/dbraw/zinc/47/41/46/566474146.db2.gz JZXBGOBDIYUBRR-WDEREUQCSA-N 0 1 375.694 3.032 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3CCN(C)[C@H](C)[C@@H]3C)cc21 ZINC000537808049 566474289 /nfs/dbraw/zinc/47/42/89/566474289.db2.gz JICJZNBQQMNOES-MNOVXSKESA-N 0 1 380.286 3.104 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cccnc2N2CCOCC2)cc1Cl ZINC000464422139 566475082 /nfs/dbraw/zinc/47/50/82/566475082.db2.gz PPNLOACHIOBTKO-UHFFFAOYSA-N 0 1 399.925 3.094 20 0 GGADMN Cc1nc(S(=O)(=O)NCCc2cccc(F)c2F)sc1Br ZINC000537839638 566475280 /nfs/dbraw/zinc/47/52/80/566475280.db2.gz NEAZWYNFQAZNDI-UHFFFAOYSA-N 0 1 397.266 3.013 20 0 GGADMN OC[C@@H]1CN(CCOc2cccc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000511623537 566476750 /nfs/dbraw/zinc/47/67/50/566476750.db2.gz GPTZTDAFBNGANX-FZMZJTMJSA-N 0 1 382.220 3.321 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1nc(-c2cc(Br)cs2)no1 ZINC000511622257 566476792 /nfs/dbraw/zinc/47/67/92/566476792.db2.gz CVXUNCCESVBRBE-UBSPAHDZSA-N 0 1 396.310 3.416 20 0 GGADMN COCCN(CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC=CCC1 ZINC000485120612 566477120 /nfs/dbraw/zinc/47/71/20/566477120.db2.gz HPZQJCIGJGFFQM-CQSZACIVSA-N 0 1 382.302 3.087 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)Nc1ccc(Br)cc1C ZINC000511630044 566477248 /nfs/dbraw/zinc/47/72/48/566477248.db2.gz QQHHAPNPXVASFA-QHEVRDBASA-N 0 1 379.298 3.051 20 0 GGADMN OC[C@H]1CN(CCOc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000511623536 566477333 /nfs/dbraw/zinc/47/73/33/566477333.db2.gz GPTZTDAFBNGANX-BXUZGUMPSA-N 0 1 382.220 3.321 20 0 GGADMN OC[C@@H]1CN(CCOc2cccc(Br)c2)CC[C@H]1C(F)(F)F ZINC000511623539 566477420 /nfs/dbraw/zinc/47/74/20/566477420.db2.gz GPTZTDAFBNGANX-SMDDNHRTSA-N 0 1 382.220 3.321 20 0 GGADMN CCOC(=O)c1ccc(CNCc2cc(Br)c(OC)c(OC)c2)[nH]1 ZINC000602543070 566477666 /nfs/dbraw/zinc/47/76/66/566477666.db2.gz GTHFQSSIQYGKHX-UHFFFAOYSA-N 0 1 397.269 3.261 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1)c1cccs1 ZINC000558482804 566478106 /nfs/dbraw/zinc/47/81/06/566478106.db2.gz NFWDTJHGTCSJCK-CYBMUJFWSA-N 0 1 393.408 3.268 20 0 GGADMN CC(C)c1nc([C@H](C)NCc2ccc(I)s2)n[nH]1 ZINC000602577019 566479393 /nfs/dbraw/zinc/47/93/93/566479393.db2.gz FKDMPFABXHSJPQ-QMMMGPOBSA-N 0 1 376.267 3.445 20 0 GGADMN COC(=O)c1cc(CN[C@H](C)[C@H](OC)c2ccc(Br)cc2)on1 ZINC000602581502 566479865 /nfs/dbraw/zinc/47/98/65/566479865.db2.gz IVSVXWKXHYQUTK-BMIGLBTASA-N 0 1 383.242 3.090 20 0 GGADMN C[C@H](NCc1cnn2cc(Br)cnc12)c1ccc([S@](C)=O)cc1 ZINC000602578992 566480013 /nfs/dbraw/zinc/48/00/13/566480013.db2.gz XUYBXTNFAUKUBE-RULNZOCKSA-N 0 1 393.310 3.080 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2nccc3ccccc32)s1 ZINC000558493298 566480433 /nfs/dbraw/zinc/48/04/33/566480433.db2.gz OABWUKPSCJVLFA-AWEZNQCLSA-N 0 1 375.519 3.234 20 0 GGADMN C[C@@H](CNCc1cn(-c2ccccc2Br)nn1)c1nccs1 ZINC000558491065 566480480 /nfs/dbraw/zinc/48/04/80/566480480.db2.gz ULAMOMYARGIREL-NSHDSACASA-N 0 1 378.299 3.380 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H](O)C12CCCC2 ZINC000558507349 566481560 /nfs/dbraw/zinc/48/15/60/566481560.db2.gz ZTHJMJPVBWILQM-ZDUSSCGKSA-N 0 1 390.281 3.359 20 0 GGADMN CC(C)(C)N1CC[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)C1=O ZINC000578005481 566482534 /nfs/dbraw/zinc/48/25/34/566482534.db2.gz QGOQDQRSHRGDTA-INIZCTEOSA-N 0 1 391.313 3.124 20 0 GGADMN COc1ccc(OCC(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000464549922 566484334 /nfs/dbraw/zinc/48/43/34/566484334.db2.gz DJLQTSMULBYELC-UHFFFAOYSA-N 0 1 376.210 3.352 20 0 GGADMN CCOC(=O)[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)[C@@H](C)CC ZINC000464547076 566484489 /nfs/dbraw/zinc/48/44/89/566484489.db2.gz UEPPVTVSSGSOOL-ZANVPECISA-N 0 1 382.258 3.033 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN[C@H]2CCSc3c(F)cccc32)c1 ZINC000578034909 566484966 /nfs/dbraw/zinc/48/49/66/566484966.db2.gz WJTIGWAKDSIGQB-KRWDZBQOSA-N 0 1 380.510 3.403 20 0 GGADMN Cc1ccc(CS(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1C ZINC000578044862 566485826 /nfs/dbraw/zinc/48/58/26/566485826.db2.gz VXPWEJOCNSWPTP-UHFFFAOYSA-N 0 1 387.910 3.302 20 0 GGADMN C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000672385787 566485817 /nfs/dbraw/zinc/48/58/17/566485817.db2.gz PZQDWKNIJDUZMV-IINYFYTJSA-N 0 1 375.824 3.061 20 0 GGADMN CCN1CCCC[C@H]1CNC(=O)COc1ccc(Br)cc1C(C)=O ZINC000511763947 566486789 /nfs/dbraw/zinc/48/67/89/566486789.db2.gz BCFNCIVYDJXWFQ-HNNXBMFYSA-N 0 1 397.313 3.021 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccccc1Cn1cncn1 ZINC000464577771 566487323 /nfs/dbraw/zinc/48/73/23/566487323.db2.gz QUXWKIXVLRNYJZ-UHFFFAOYSA-N 0 1 397.236 3.218 20 0 GGADMN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464570884 566487924 /nfs/dbraw/zinc/48/79/24/566487924.db2.gz NZWGYDGORFTOQP-PWSUYJOCSA-N 0 1 382.258 3.238 20 0 GGADMN O=S(=O)(NC[C@H](CO)c1ccc(Cl)cc1)c1c(Cl)ccc(F)c1F ZINC000672427973 566488391 /nfs/dbraw/zinc/48/83/91/566488391.db2.gz CBNLAYSYTJXMFP-SNVBAGLBSA-N 0 1 396.242 3.326 20 0 GGADMN O=S(=O)(NC[C@@H](CO)c1ccc(Cl)cc1)c1c(Cl)ccc(F)c1F ZINC000672427972 566488549 /nfs/dbraw/zinc/48/85/49/566488549.db2.gz CBNLAYSYTJXMFP-JTQLQIEISA-N 0 1 396.242 3.326 20 0 GGADMN CC(C)[C@@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccnn1C ZINC000672408589 566488737 /nfs/dbraw/zinc/48/87/37/566488737.db2.gz SBYNAYFLHKNDND-SNVBAGLBSA-N 0 1 377.844 3.070 20 0 GGADMN O=C(NC[C@H]1CCCN1CCCO)c1cc2cc(Br)ccc2s1 ZINC000627569994 566489186 /nfs/dbraw/zinc/48/91/86/566489186.db2.gz PTSKVMQCYOKKCE-CQSZACIVSA-N 0 1 397.338 3.240 20 0 GGADMN O=C(NC[C@@H]1CCCN1CCCO)c1cc2cc(Br)ccc2s1 ZINC000627569993 566489214 /nfs/dbraw/zinc/48/92/14/566489214.db2.gz PTSKVMQCYOKKCE-AWEZNQCLSA-N 0 1 397.338 3.240 20 0 GGADMN CC(C)n1cnnc1SCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464582119 566489467 /nfs/dbraw/zinc/48/94/67/566489467.db2.gz TXFCVLVAKFUYES-UHFFFAOYSA-N 0 1 395.286 3.229 20 0 GGADMN CN(C)C(=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000464580709 566489481 /nfs/dbraw/zinc/48/94/81/566489481.db2.gz LDMOLXLBNFRANI-UHFFFAOYSA-N 0 1 387.237 3.280 20 0 GGADMN Cc1cc(CNC(=O)NCC2(c3ccc(Br)s3)CCC2)n[nH]1 ZINC000672428523 566489883 /nfs/dbraw/zinc/48/98/83/566489883.db2.gz RLQLSJNKDNIDFU-UHFFFAOYSA-N 0 1 383.315 3.463 20 0 GGADMN C[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000578073610 566490180 /nfs/dbraw/zinc/49/01/80/566490180.db2.gz SDLOKCGDNXYIFY-SNVBAGLBSA-N 0 1 390.839 3.440 20 0 GGADMN CO[C@@H](CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000651026864 566490430 /nfs/dbraw/zinc/49/04/30/566490430.db2.gz NHGUGDLGWYDNKZ-HNNXBMFYSA-N 0 1 378.822 3.388 20 0 GGADMN COC(=O)CCn1nc(C)c(CNCc2ccc(C)c(Br)c2)c1C ZINC000602750454 566491329 /nfs/dbraw/zinc/49/13/29/566491329.db2.gz HRPLAGCDHYQONB-UHFFFAOYSA-N 0 1 394.313 3.424 20 0 GGADMN CC(C)n1nccc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000602740037 566491439 /nfs/dbraw/zinc/49/14/39/566491439.db2.gz YKNMPCDREXLLLW-UHFFFAOYSA-N 0 1 375.226 3.320 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(I)cc2)N1 ZINC000602763724 566492857 /nfs/dbraw/zinc/49/28/57/566492857.db2.gz ZVRLQXWDZOTNRF-ZDUSSCGKSA-N 0 1 389.200 3.138 20 0 GGADMN O=C(CN[C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc(Cl)cn1 ZINC000558619088 566492994 /nfs/dbraw/zinc/49/29/94/566492994.db2.gz UQLHRXMBNSCIEJ-SFHVURJKSA-N 0 1 380.275 3.318 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)c(O)cc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000672485734 566493032 /nfs/dbraw/zinc/49/30/32/566493032.db2.gz HACCSBKTGNJVSD-MRVPVSSYSA-N 0 1 375.780 3.125 20 0 GGADMN O=C(CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc(Cl)cn1 ZINC000558619087 566493070 /nfs/dbraw/zinc/49/30/70/566493070.db2.gz UQLHRXMBNSCIEJ-GOSISDBHSA-N 0 1 380.275 3.318 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1NC(N)=O ZINC000485390481 566493757 /nfs/dbraw/zinc/49/37/57/566493757.db2.gz QOOUTGLPZDUEHP-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN Cc1ccc(NC(=O)CN[C@H](CCO)c2ccccc2)c(Br)c1 ZINC000538129060 566494079 /nfs/dbraw/zinc/49/40/79/566494079.db2.gz DAZONQAWXRNZBN-MRXNPFEDSA-N 0 1 377.282 3.409 20 0 GGADMN NC(=O)CCNc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485391248 566494267 /nfs/dbraw/zinc/49/42/67/566494267.db2.gz QGIIKEBINKEUKJ-UHFFFAOYSA-N 0 1 388.276 3.082 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000672503234 566494963 /nfs/dbraw/zinc/49/49/63/566494963.db2.gz CSMBPTDWKXBASA-RYUDHWBXSA-N 0 1 386.445 3.241 20 0 GGADMN O=c1[nH]c(N2CCC[C@@H]2c2ccc(Br)c(F)c2)nc2[nH]ncc21 ZINC000485410615 566495538 /nfs/dbraw/zinc/49/55/38/566495538.db2.gz QSOMXGMKUCDQCF-GFCCVEGCSA-N 0 1 378.205 3.302 20 0 GGADMN Cc1cc([C@H]2CCCN2c2cc(-n3cccn3)nc(N)n2)ccc1Br ZINC000485406809 566495763 /nfs/dbraw/zinc/49/57/63/566495763.db2.gz OBAQXAIWRFLSQI-OAHLLOKOSA-N 0 1 399.296 3.487 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485398061 566495822 /nfs/dbraw/zinc/49/58/22/566495822.db2.gz FSXUFTGSYKVWQI-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ncc(C(F)(F)F)[nH]1 ZINC000558649165 566496400 /nfs/dbraw/zinc/49/64/00/566496400.db2.gz XNBSOWILQHODLZ-UHFFFAOYSA-N 0 1 381.141 3.104 20 0 GGADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000672553734 566497152 /nfs/dbraw/zinc/49/71/52/566497152.db2.gz XWTAJZSMRKDIKO-SUMWQHHRSA-N 0 1 399.292 3.435 20 0 GGADMN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485420424 566497477 /nfs/dbraw/zinc/49/74/77/566497477.db2.gz WQAYFDFZXLCUKZ-UHFFFAOYSA-N 0 1 395.289 3.166 20 0 GGADMN O=C(CN[C@H](c1ccc(Br)cc1)C1CCC1)Nc1nncs1 ZINC000538180366 566497564 /nfs/dbraw/zinc/49/75/64/566497564.db2.gz OALKMOZPSFOGCT-AWEZNQCLSA-N 0 1 381.299 3.370 20 0 GGADMN CC(C)CN(C(=O)c1ccc(NS(C)(=O)=O)nc1)c1cccc(Cl)c1 ZINC000627680413 566497780 /nfs/dbraw/zinc/49/77/80/566497780.db2.gz HNVZJYFEJYKAQU-UHFFFAOYSA-N 0 1 381.885 3.409 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1ccccc1Br ZINC000578178063 566498036 /nfs/dbraw/zinc/49/80/36/566498036.db2.gz YLSRXRDHEAKBCK-UHFFFAOYSA-N 0 1 376.298 3.438 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1Br ZINC000558681614 566498068 /nfs/dbraw/zinc/49/80/68/566498068.db2.gz SISJBXNWZZZGAN-LBPRGKRZSA-N 0 1 397.342 3.363 20 0 GGADMN CC(C)(C)[C@@H]1C[C@H](NCc2ncc(I)s2)CCO1 ZINC000511944969 566498364 /nfs/dbraw/zinc/49/83/64/566498364.db2.gz ZMXJLRMYQGFLNT-ZJUUUORDSA-N 0 1 380.295 3.431 20 0 GGADMN CCSc1ccc([C@H](C)NCC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000538200070 566498279 /nfs/dbraw/zinc/49/82/79/566498279.db2.gz RHXHFEYCSOZKCI-ZDUSSCGKSA-N 0 1 375.519 3.471 20 0 GGADMN CC(C)(C)[C@H]1C[C@@H](NCc2ncc(I)s2)CCO1 ZINC000511944968 566498395 /nfs/dbraw/zinc/49/83/95/566498395.db2.gz ZMXJLRMYQGFLNT-VHSXEESVSA-N 0 1 380.295 3.431 20 0 GGADMN CC(C)(C)[C@@H]1C[C@@H](NCc2ncc(I)s2)CCO1 ZINC000511944967 566498488 /nfs/dbraw/zinc/49/84/88/566498488.db2.gz ZMXJLRMYQGFLNT-UWVGGRQHSA-N 0 1 380.295 3.431 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000485436364 566498923 /nfs/dbraw/zinc/49/89/23/566498923.db2.gz JSPHXWRFKXECQA-UHFFFAOYSA-N 0 1 379.381 3.495 20 0 GGADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000538224224 566500240 /nfs/dbraw/zinc/50/02/40/566500240.db2.gz RBFJPASMONSAOJ-NXEZZACHSA-N 0 1 386.308 3.393 20 0 GGADMN CSC1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000602919769 566500420 /nfs/dbraw/zinc/50/04/20/566500420.db2.gz IGIJFACTIBUCET-UHFFFAOYSA-N 0 1 376.444 3.071 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000538224225 566500475 /nfs/dbraw/zinc/50/04/75/566500475.db2.gz RBFJPASMONSAOJ-UWVGGRQHSA-N 0 1 386.308 3.393 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000538217977 566500511 /nfs/dbraw/zinc/50/05/11/566500511.db2.gz MXVOTEYNKIQMGM-GPCCPHFNSA-N 0 1 378.357 3.255 20 0 GGADMN C[C@H](NCc1cc(Cl)cc2cccnc21)c1cccc(S(N)(=O)=O)c1 ZINC000538269202 566501112 /nfs/dbraw/zinc/50/11/12/566501112.db2.gz VNGWCQDHSZWJRK-LBPRGKRZSA-N 0 1 375.881 3.386 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000672676328 566501463 /nfs/dbraw/zinc/50/14/63/566501463.db2.gz TVSLLQFCONQVKS-ZBFHGGJFSA-N 0 1 381.929 3.080 20 0 GGADMN O=C(CCOc1ccccc1Br)N1CCNC[C@@H]1c1ccccc1 ZINC000424009650 566502688 /nfs/dbraw/zinc/50/26/88/566502688.db2.gz XKISMNKJWDUGIS-QGZVFWFLSA-N 0 1 389.293 3.391 20 0 GGADMN CC(C)[C@@H]1CN(CCN2c3cccc4cccc(c34)S2(=O)=O)CCS1 ZINC000464777939 566502997 /nfs/dbraw/zinc/50/29/97/566502997.db2.gz VUFROQOMKOXFHC-KRWDZBQOSA-N 0 1 376.547 3.422 20 0 GGADMN C[C@H](CNCc1ncc(I)s1)Oc1ccccc1F ZINC000511989671 566502942 /nfs/dbraw/zinc/50/29/42/566502942.db2.gz MAQZFOWZGYQNID-SECBINFHSA-N 0 1 392.237 3.444 20 0 GGADMN CC(C)O[C@@H]1C[C@@H](NCc2ncc(I)s2)C1(C)C ZINC000511987585 566502969 /nfs/dbraw/zinc/50/29/69/566502969.db2.gz GPZJLORERIKQKU-NXEZZACHSA-N 0 1 380.295 3.429 20 0 GGADMN CC(C)O[C@@H]1C[C@H](NCc2ncc(I)s2)C1(C)C ZINC000511987587 566503007 /nfs/dbraw/zinc/50/30/07/566503007.db2.gz GPZJLORERIKQKU-VHSXEESVSA-N 0 1 380.295 3.429 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000672724094 566503095 /nfs/dbraw/zinc/50/30/95/566503095.db2.gz ZJISBHFFWSFREW-NVXWUHKLSA-N 0 1 381.929 3.080 20 0 GGADMN COc1ccc(Br)c(CC(=O)N2CCNC[C@H]2c2ccccc2)c1 ZINC000424005264 566503065 /nfs/dbraw/zinc/50/30/65/566503065.db2.gz SOKQDBGGZHVEPX-SFHVURJKSA-N 0 1 389.293 3.173 20 0 GGADMN CC(C)[C@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CCS1 ZINC000464779489 566503271 /nfs/dbraw/zinc/50/32/71/566503271.db2.gz XAGOUIVEIXLUNL-MRXNPFEDSA-N 0 1 385.371 3.481 20 0 GGADMN CO[C@H](c1ccccc1F)[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000538284969 566503311 /nfs/dbraw/zinc/50/33/11/566503311.db2.gz NAUSOQXCKVTZGJ-VFZGTOFNSA-N 0 1 377.359 3.298 20 0 GGADMN COc1ccc(CN(Cc2cccc(Br)c2)C2CCOCC2)nn1 ZINC000558736718 566503430 /nfs/dbraw/zinc/50/34/30/566503430.db2.gz UMFRVDIYBPRVTI-UHFFFAOYSA-N 0 1 392.297 3.429 20 0 GGADMN CC(C)[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CCS1 ZINC000464779488 566503395 /nfs/dbraw/zinc/50/33/95/566503395.db2.gz XAGOUIVEIXLUNL-INIZCTEOSA-N 0 1 385.371 3.481 20 0 GGADMN C[C@@H](CNCc1ncc(I)s1)Oc1cccc(F)c1 ZINC000512008114 566503973 /nfs/dbraw/zinc/50/39/73/566503973.db2.gz PNLDGRYOSFQDKN-VIFPVBQESA-N 0 1 392.237 3.444 20 0 GGADMN COc1ccc(Br)c(CNC(=O)c2n[nH]nc2-c2ccccc2)c1 ZINC000558749776 566504047 /nfs/dbraw/zinc/50/40/47/566504047.db2.gz ZQJQLDXFIBNLPO-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3cc(C)c(Br)s3)C2=O)n(C)n1 ZINC000512010016 566504300 /nfs/dbraw/zinc/50/43/00/566504300.db2.gz QVOROPYOILTMPQ-NEPJUHHUSA-N 0 1 397.342 3.317 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCc3ccc(SC)cc32)c1 ZINC000578237371 566505189 /nfs/dbraw/zinc/50/51/89/566505189.db2.gz KKPAAUAHZGPYMG-LJQANCHMSA-N 0 1 376.547 3.484 20 0 GGADMN COC[C@@H](Cc1ccccc1)NCc1ncc(I)s1 ZINC000512018330 566505707 /nfs/dbraw/zinc/50/57/07/566505707.db2.gz YGBSZJMNKSWZDQ-GFCCVEGCSA-N 0 1 388.274 3.095 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)c[nH]1 ZINC000464828973 566506272 /nfs/dbraw/zinc/50/62/72/566506272.db2.gz HJWRUHDQHPGVPD-UHFFFAOYSA-N 0 1 376.356 3.097 20 0 GGADMN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccccc2C(F)F)c1 ZINC000424059258 566506410 /nfs/dbraw/zinc/50/64/10/566506410.db2.gz ATDHMXLSIHVIEM-UHFFFAOYSA-N 0 1 389.445 3.445 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC(OCC2CC2)CC1 ZINC000464820286 566506483 /nfs/dbraw/zinc/50/64/83/566506483.db2.gz VZHZULCLRAUONX-UHFFFAOYSA-N 0 1 395.341 3.299 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000672811931 566507045 /nfs/dbraw/zinc/50/70/45/566507045.db2.gz AVNVPMXFMAXTNH-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN Nc1c(Cl)ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1Cl ZINC000538322839 566507029 /nfs/dbraw/zinc/50/70/29/566507029.db2.gz BRWGXUKIGHYXOV-UHFFFAOYSA-N 0 1 379.291 3.365 20 0 GGADMN COc1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc(OC)c1Br ZINC000538325791 566507188 /nfs/dbraw/zinc/50/71/88/566507188.db2.gz GEJCTLAHSVXRLN-LLVKDONJSA-N 0 1 395.257 3.389 20 0 GGADMN O=S(=O)(CCOCC1CC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000424062791 566507460 /nfs/dbraw/zinc/50/74/60/566507460.db2.gz HVFZUGUWRXJCCK-UHFFFAOYSA-N 0 1 385.379 3.325 20 0 GGADMN COC(=O)c1ncc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1Cl ZINC000603054042 566507561 /nfs/dbraw/zinc/50/75/61/566507561.db2.gz QEGGGCRSUAAOBI-LBPRGKRZSA-N 0 1 382.873 3.008 20 0 GGADMN Cc1cc(NS(=O)(=O)CCc2ccc(Cl)cc2)nn1CC(F)(F)F ZINC000424069687 566507973 /nfs/dbraw/zinc/50/79/73/566507973.db2.gz QHIFKSZZOUHSKR-UHFFFAOYSA-N 0 1 381.807 3.392 20 0 GGADMN C[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000578277027 566508080 /nfs/dbraw/zinc/50/80/80/566508080.db2.gz MDIUUJUTUFYEMP-IFXJQAMLSA-N 0 1 379.909 3.442 20 0 GGADMN CCC1(CC)[C@@H](NCc2ncc(I)s2)C[C@@H]1OC ZINC000512052282 566508303 /nfs/dbraw/zinc/50/83/03/566508303.db2.gz LVGVUQUSVTYKHJ-UWVGGRQHSA-N 0 1 380.295 3.431 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCN(CCc2ccnn2C)CC1 ZINC000558832088 566509688 /nfs/dbraw/zinc/50/96/88/566509688.db2.gz YPBWKPSJLWSSQN-LJQANCHMSA-N 0 1 391.357 3.494 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Br)c1O)c1nc(C(F)(F)F)no1 ZINC000627818475 566510619 /nfs/dbraw/zinc/51/06/19/566510619.db2.gz JBIGDBLOHZCLRJ-RXMQYKEDSA-N 0 1 380.120 3.048 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNCc2ccccc2Br)c1 ZINC000578316012 566511029 /nfs/dbraw/zinc/51/10/29/566511029.db2.gz JHKGBCISGWQYIN-INIZCTEOSA-N 0 1 378.266 3.181 20 0 GGADMN COc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)c(Br)c1 ZINC000512090725 566511648 /nfs/dbraw/zinc/51/16/48/566511648.db2.gz WVDYBVNZCIFOOM-CQSZACIVSA-N 0 1 384.245 3.126 20 0 GGADMN C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)S(C)(=O)=O ZINC000538428737 566511724 /nfs/dbraw/zinc/51/17/24/566511724.db2.gz JLYGLCOTABZIHW-AWEZNQCLSA-N 0 1 375.519 3.124 20 0 GGADMN Ic1cnc(CNC[C@H]2CCOc3ccccc32)s1 ZINC000512081704 566511846 /nfs/dbraw/zinc/51/18/46/566511846.db2.gz DHBGOTFUICICJO-SNVBAGLBSA-N 0 1 386.258 3.404 20 0 GGADMN CC[C@H](NCCS(=O)(=O)NC(C)(C)C)c1cc(F)cc(Br)c1 ZINC000538399010 566511863 /nfs/dbraw/zinc/51/18/63/566511863.db2.gz YMRSHZUIQNYOIM-AWEZNQCLSA-N 0 1 395.338 3.347 20 0 GGADMN COc1ccc(CNCCNC(=O)Cc2cccc(F)c2)c(Br)c1 ZINC000512083216 566512251 /nfs/dbraw/zinc/51/22/51/566512251.db2.gz OJOVQNMRMXHIMZ-UHFFFAOYSA-N 0 1 395.272 3.045 20 0 GGADMN COc1ccc(CNC[C@@H](O)COc2cccc(C)c2)c(Br)c1 ZINC000512108670 566513213 /nfs/dbraw/zinc/51/32/13/566513213.db2.gz UDPGWRGUTLJZKO-OAHLLOKOSA-N 0 1 380.282 3.296 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000485605249 566513349 /nfs/dbraw/zinc/51/33/49/566513349.db2.gz ZFMYDUGTBPMFNN-LLVKDONJSA-N 0 1 396.260 3.409 20 0 GGADMN C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)[C@@H](C)CN1C ZINC000512103782 566513504 /nfs/dbraw/zinc/51/35/04/566513504.db2.gz GXZNKQWDQRBPQD-GJZGRUSLSA-N 0 1 395.341 3.048 20 0 GGADMN COCCN1CC[C@H](NC(=O)c2cc3ccc(Br)cc3s2)C1 ZINC000448933589 566513693 /nfs/dbraw/zinc/51/36/93/566513693.db2.gz QVDSXLWFFRDCNN-ZDUSSCGKSA-N 0 1 383.311 3.114 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CC[C@@H](F)C2)cc1 ZINC000578356624 566514732 /nfs/dbraw/zinc/51/47/32/566514732.db2.gz TYJGLISLIOKJDI-OCCSQVGLSA-N 0 1 382.482 3.478 20 0 GGADMN COC1(C)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000578347578 566514744 /nfs/dbraw/zinc/51/47/44/566514744.db2.gz DQGMZTYNZSNHNG-UHFFFAOYSA-N 0 1 378.270 3.480 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2cnc3ncc(Br)cc3c2)n[nH]1 ZINC000672918879 566514768 /nfs/dbraw/zinc/51/47/68/566514768.db2.gz JHNGUQXGMMBPOP-VIFPVBQESA-N 0 1 389.257 3.125 20 0 GGADMN Fc1ccc(OCCCNCc2ncc(I)s2)cc1 ZINC000512119013 566515728 /nfs/dbraw/zinc/51/57/28/566515728.db2.gz AGUOTSHWKKEZSA-UHFFFAOYSA-N 0 1 392.237 3.446 20 0 GGADMN CCn1cc(CNCc2cc(Cl)cc(I)c2)cn1 ZINC000424164453 566515883 /nfs/dbraw/zinc/51/58/83/566515883.db2.gz CIISHRBYGIXQPV-UHFFFAOYSA-N 0 1 375.641 3.451 20 0 GGADMN CC(C)C[C@H]1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000465035750 566515889 /nfs/dbraw/zinc/51/58/89/566515889.db2.gz RJEMPXVKPSUECQ-CJNGLKHVSA-N 0 1 379.298 3.449 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000578371407 566516104 /nfs/dbraw/zinc/51/61/04/566516104.db2.gz XOCMWDYKPALHNH-LBPRGKRZSA-N 0 1 384.851 3.464 20 0 GGADMN Cc1cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c2cc(Br)ccc2n1 ZINC000512144248 566516414 /nfs/dbraw/zinc/51/64/14/566516414.db2.gz BDYAZKFGDFSLFG-CHWSQXEVSA-N 0 1 376.298 3.470 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1Br ZINC000448970219 566516479 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C[C@H]1C[C@@H](N2CCCC2)CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512181959 566518506 /nfs/dbraw/zinc/51/85/06/566518506.db2.gz CHNPHUMGTCHOEX-DZGCQCFKSA-N 0 1 391.364 3.326 20 0 GGADMN O=C(NCCCOC(F)F)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000512180742 566519143 /nfs/dbraw/zinc/51/91/43/566519143.db2.gz YJJPQGIYRJGVCW-HNNXBMFYSA-N 0 1 375.847 3.405 20 0 GGADMN O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)NCc1ccccc1F ZINC000512177164 566519174 /nfs/dbraw/zinc/51/91/74/566519174.db2.gz FUEZUJXUQGUAFL-QGZVFWFLSA-N 0 1 385.266 3.462 20 0 GGADMN O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1 ZINC000512205455 566519424 /nfs/dbraw/zinc/51/94/24/566519424.db2.gz ZJJHJTZEGWTQLN-QGZVFWFLSA-N 0 1 385.266 3.462 20 0 GGADMN CN(C)CCN(C1CC1)S(=O)(=O)c1ccc2ccccc2c1Br ZINC000424209756 566519567 /nfs/dbraw/zinc/51/95/67/566519567.db2.gz ASKIRNDXPWOWBY-UHFFFAOYSA-N 0 1 397.338 3.317 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000449014931 566519753 /nfs/dbraw/zinc/51/97/53/566519753.db2.gz 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CCc1nn(C)c(CC)c1CNCc1ccc(I)cc1 ZINC000449202542 566536828 /nfs/dbraw/zinc/53/68/28/566536828.db2.gz FZXKWIKOGVFQCW-UHFFFAOYSA-N 0 1 383.277 3.439 20 0 GGADMN COc1cc(CN2CCS[C@H]3COCC[C@@H]32)ccc1OCC(F)(F)F ZINC000538809424 566537441 /nfs/dbraw/zinc/53/74/41/566537441.db2.gz JSTGSHWUNDQJKC-BBRMVZONSA-N 0 1 377.428 3.343 20 0 GGADMN CN1C[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)c2ccccc2C1=O ZINC000485902760 566537611 /nfs/dbraw/zinc/53/76/11/566537611.db2.gz XQNQHNIIEWQWQE-CYBMUJFWSA-N 0 1 399.248 3.133 20 0 GGADMN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2OC)c1 ZINC000673487957 566538578 /nfs/dbraw/zinc/53/85/78/566538578.db2.gz HUXMWCPIMFRQFZ-UHFFFAOYSA-N 0 1 382.869 3.241 20 0 GGADMN CCNC(=O)[C@@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C ZINC000559292009 566538648 /nfs/dbraw/zinc/53/86/48/566538648.db2.gz ZAFSKHMRQGDIBD-AWEZNQCLSA-N 0 1 379.810 3.048 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000538817744 566539508 /nfs/dbraw/zinc/53/95/08/566539508.db2.gz WFFGCSHAGRGGOR-CQSZACIVSA-N 0 1 385.335 3.500 20 0 GGADMN COC(=O)C(C)(C)CCNCc1c(F)ccc(I)c1F ZINC000512491289 566539737 /nfs/dbraw/zinc/53/97/37/566539737.db2.gz FOKQKEDWGBKJDJ-UHFFFAOYSA-N 0 1 397.203 3.248 20 0 GGADMN O=C1[C@H](NCc2cc(F)cc(Br)c2)CCCN1Cc1ccccn1 ZINC000449238560 566540703 /nfs/dbraw/zinc/54/07/03/566540703.db2.gz GRFGRFKMNGNRKB-QGZVFWFLSA-N 0 1 392.272 3.264 20 0 GGADMN Cc1cc(CN2CCC(CCCN3CCOCC3)CC2)ncc1Br ZINC000628235834 566540973 /nfs/dbraw/zinc/54/09/73/566540973.db2.gz DLEZKPSDACHTAJ-UHFFFAOYSA-N 0 1 396.373 3.477 20 0 GGADMN O=C1[C@@H](NCc2cc(F)cc(Br)c2)CCCN1Cc1ccccn1 ZINC000449238559 566541313 /nfs/dbraw/zinc/54/13/13/566541313.db2.gz GRFGRFKMNGNRKB-KRWDZBQOSA-N 0 1 392.272 3.264 20 0 GGADMN CCCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(Br)cc32)CC1 ZINC000512531720 566541537 /nfs/dbraw/zinc/54/15/37/566541537.db2.gz XHRHBMMOMKFEBL-UHFFFAOYSA-N 0 1 378.314 3.336 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2ccc(Br)c(OC(C)C)c2)n[nH]1 ZINC000651610047 566542504 /nfs/dbraw/zinc/54/25/04/566542504.db2.gz UZJRFTYWEVREPC-JTQLQIEISA-N 0 1 381.274 3.408 20 0 GGADMN CCOC(=O)c1cc(CNCc2cc(Br)cc3c2OCC3)[nH]c1C ZINC000449254798 566542919 /nfs/dbraw/zinc/54/29/19/566542919.db2.gz ZYOUGVMSNJINNB-UHFFFAOYSA-N 0 1 393.281 3.487 20 0 GGADMN COCCO[C@H]1COCC[C@@H]1NCc1cc(Cl)c(C)cc1Br ZINC000449255313 566542981 /nfs/dbraw/zinc/54/29/81/566542981.db2.gz CIZZXNKNGZVZHT-HOTGVXAUSA-N 0 1 392.721 3.321 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000449258669 566543019 /nfs/dbraw/zinc/54/30/19/566543019.db2.gz NXMFRZLBFSLVLP-XEZPLFJOSA-N 0 1 381.314 3.337 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000651622383 566543653 /nfs/dbraw/zinc/54/36/53/566543653.db2.gz XPIKFFJSUOTMTB-CQSZACIVSA-N 0 1 380.901 3.045 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000651622043 566543951 /nfs/dbraw/zinc/54/39/51/566543951.db2.gz MQODSZVQTPKUOG-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN CCn1nnc(C)c1CN1CCC(Nc2cccc(Br)c2)CC1 ZINC000449290027 566544236 /nfs/dbraw/zinc/54/42/36/566544236.db2.gz CZLUWZOTYUAVIR-UHFFFAOYSA-N 0 1 378.318 3.445 20 0 GGADMN CN(CCc1ccccc1)CC(=O)Nc1ccc(I)cc1 ZINC000603892115 566544313 /nfs/dbraw/zinc/54/43/13/566544313.db2.gz IDKJHBHXNDBEAZ-UHFFFAOYSA-N 0 1 394.256 3.404 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000449278023 566544631 /nfs/dbraw/zinc/54/46/31/566544631.db2.gz HJXMYGGFZLIFIZ-OAHLLOKOSA-N 0 1 395.276 3.090 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)c2n[nH]c3ccc(Br)cc32)cc1 ZINC000538889402 566544962 /nfs/dbraw/zinc/54/49/62/566544962.db2.gz QLLFRIAFRUXYQK-INIZCTEOSA-N 0 1 388.265 3.351 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(Cl)c1 ZINC000673589643 566545058 /nfs/dbraw/zinc/54/50/58/566545058.db2.gz LSENBYCWIRBOLB-CQSZACIVSA-N 0 1 379.787 3.423 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CCN1C ZINC000486004176 566547138 /nfs/dbraw/zinc/54/71/38/566547138.db2.gz UHUUJWGAGGMWRJ-GWCFXTLKSA-N 0 1 395.750 3.005 20 0 GGADMN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000559392165 566547407 /nfs/dbraw/zinc/54/74/07/566547407.db2.gz NUKLWTYAZHRWNK-ZDUSSCGKSA-N 0 1 399.969 3.231 20 0 GGADMN CCC[C@@H](C)S(=O)(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000651646983 566548806 /nfs/dbraw/zinc/54/88/06/566548806.db2.gz YTUMPIYHPLZISH-ZWNOBZJWSA-N 0 1 376.404 3.021 20 0 GGADMN CC[C@H](NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(Cl)s1 ZINC000512664563 566548728 /nfs/dbraw/zinc/54/87/28/566548728.db2.gz AEQCSBIXDZOVRS-GJZGRUSLSA-N 0 1 386.993 3.424 20 0 GGADMN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccnc2c(Br)cccc12 ZINC000449317724 566549290 /nfs/dbraw/zinc/54/92/90/566549290.db2.gz BMXLEBKDFUHHGS-HOCLYGCPSA-N 0 1 390.325 3.292 20 0 GGADMN CC(C)[C@@]1(CO)CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000559425797 566549514 /nfs/dbraw/zinc/54/95/14/566549514.db2.gz UHGSUXIFOBPMLX-HKUYNNGSSA-N 0 1 395.341 3.285 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2cc(F)c(F)cc2Br)nc1C ZINC000538938450 566550142 /nfs/dbraw/zinc/55/01/42/566550142.db2.gz CBJYXQSJJAYCNZ-UHFFFAOYSA-N 0 1 380.214 3.053 20 0 GGADMN C[C@](N)(C(=O)N[C@H]1CCOc2c(F)cccc21)c1ccc(Br)cc1 ZINC000578746753 566550382 /nfs/dbraw/zinc/55/03/82/566550382.db2.gz SIGVKASSFSFIRO-MAUKXSAKSA-N 0 1 393.256 3.402 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CCn2cccc2)CC1 ZINC000673649456 566550575 /nfs/dbraw/zinc/55/05/75/566550575.db2.gz IDDVDOUMRBTWSL-UHFFFAOYSA-N 0 1 391.313 3.031 20 0 GGADMN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccnc2c(Br)cccc12 ZINC000449329681 566550659 /nfs/dbraw/zinc/55/06/59/566550659.db2.gz PHSYJFOUZVGILY-RDTXWAMCSA-N 0 1 390.325 3.292 20 0 GGADMN CC(C)(CO)[C@@H](NCc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000559443138 566550715 /nfs/dbraw/zinc/55/07/15/566550715.db2.gz AHFYKHUBEMCTML-HNNXBMFYSA-N 0 1 380.286 3.386 20 0 GGADMN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1ncn[nH]1 ZINC000512684945 566551174 /nfs/dbraw/zinc/55/11/74/566551174.db2.gz MKFYDBQXHAUICV-MRVPVSSYSA-N 0 1 392.282 3.490 20 0 GGADMN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1nc[nH]n1 ZINC000512684945 566551178 /nfs/dbraw/zinc/55/11/78/566551178.db2.gz MKFYDBQXHAUICV-MRVPVSSYSA-N 0 1 392.282 3.490 20 0 GGADMN Cc1[nH]ncc1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000512684190 566551231 /nfs/dbraw/zinc/55/12/31/566551231.db2.gz ATPSHKGLZZVCBJ-UHFFFAOYSA-N 0 1 378.148 3.309 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CCC[C@@H](F)C1 ZINC000424643720 566551408 /nfs/dbraw/zinc/55/14/08/566551408.db2.gz MLLKDDZOTDVRLN-WCQYABFASA-N 0 1 381.249 3.379 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCC[C@@H](F)C1 ZINC000424643720 566551412 /nfs/dbraw/zinc/55/14/12/566551412.db2.gz MLLKDDZOTDVRLN-WCQYABFASA-N 0 1 381.249 3.379 20 0 GGADMN O[C@@H](CNCc1cc2c(cc1Br)OCO2)Cc1cccc(F)c1 ZINC000449363343 566552258 /nfs/dbraw/zinc/55/22/58/566552258.db2.gz NJJAYFUUDKPNOA-CQSZACIVSA-N 0 1 382.229 3.010 20 0 GGADMN COC(=O)c1ccc(CNC[C@H](O)Cc2cccc(F)c2)c(Br)c1 ZINC000449356594 566552441 /nfs/dbraw/zinc/55/24/41/566552441.db2.gz AKBJASLPNPWYLF-MRXNPFEDSA-N 0 1 396.256 3.068 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1cccc(Br)c1 ZINC000578761072 566552573 /nfs/dbraw/zinc/55/25/73/566552573.db2.gz JYVFJHYVNPQEHV-LBPRGKRZSA-N 0 1 392.301 3.044 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000651701753 566553052 /nfs/dbraw/zinc/55/30/52/566553052.db2.gz ADFXVFILYWKMJX-NEPJUHHUSA-N 0 1 393.372 3.066 20 0 GGADMN O=C(c1ccc2cncn2c1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000559500938 566553268 /nfs/dbraw/zinc/55/32/68/566553268.db2.gz XZSKEFIDUXJVQS-QGZVFWFLSA-N 0 1 386.249 3.311 20 0 GGADMN COCCN1CC[C@H](NC(=O)c2sc3ccc(Br)cc3c2C)C1 ZINC000578772289 566553809 /nfs/dbraw/zinc/55/38/09/566553809.db2.gz DALUUCIITTVMPW-ZDUSSCGKSA-N 0 1 397.338 3.423 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000604088487 566553881 /nfs/dbraw/zinc/55/38/81/566553881.db2.gz CASFTZFJVPPOIG-ZDUSSCGKSA-N 0 1 390.281 3.069 20 0 GGADMN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2cncn2c1 ZINC000559512577 566554026 /nfs/dbraw/zinc/55/40/26/566554026.db2.gz LWBUVXNMQCNDQE-UHFFFAOYSA-N 0 1 377.231 3.352 20 0 GGADMN CCCn1c2ccccc2nc1CNCCn1cc(Br)ccc1=O ZINC000449374812 566554350 /nfs/dbraw/zinc/55/43/50/566554350.db2.gz GLMMSVPUKNSTRL-UHFFFAOYSA-N 0 1 389.297 3.160 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673736652 566554600 /nfs/dbraw/zinc/55/46/00/566554600.db2.gz AWWYKXLYOFNNKX-UHFFFAOYSA-N 0 1 392.175 3.438 20 0 GGADMN Cc1sc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc1Br ZINC000424666024 566555289 /nfs/dbraw/zinc/55/52/89/566555289.db2.gz RRDOKPFJCWFJKG-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(Br)cc2Br)C1 ZINC000539061625 566555933 /nfs/dbraw/zinc/55/59/33/566555933.db2.gz NBYRDVCDQOACFP-BXKDBHETSA-N 0 1 390.119 3.483 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2ccccc2N(C)C)c(C)s1 ZINC000539051376 566556204 /nfs/dbraw/zinc/55/62/04/566556204.db2.gz HFDOSSSADLWQJA-AWEZNQCLSA-N 0 1 381.567 3.060 20 0 GGADMN CC[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1cc(C)ccc1OC ZINC000539052901 566556263 /nfs/dbraw/zinc/55/62/63/566556263.db2.gz AIMADTHWTOHBEP-MRXNPFEDSA-N 0 1 382.551 3.427 20 0 GGADMN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000539045385 566556373 /nfs/dbraw/zinc/55/63/73/566556373.db2.gz LNJFGFYCELXDHI-MWLCHTKSSA-N 0 1 383.366 3.446 20 0 GGADMN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000539061632 566556475 /nfs/dbraw/zinc/55/64/75/566556475.db2.gz NBYRDVCDQOACFP-CABZTGNLSA-N 0 1 390.119 3.483 20 0 GGADMN Cc1sc(C(=O)N2CCN(CC3CCOCC3)CC2)cc1Br ZINC000424676238 566556717 /nfs/dbraw/zinc/55/67/17/566556717.db2.gz HCIZAALGKCIINW-UHFFFAOYSA-N 0 1 387.343 3.003 20 0 GGADMN C[C@@H](Cc1cnn(C)c1)NCc1c(Br)cncc1Br ZINC000449391105 566556733 /nfs/dbraw/zinc/55/67/33/566556733.db2.gz COXAFABIHNYKHQ-VIFPVBQESA-N 0 1 388.107 3.061 20 0 GGADMN COc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc(Br)c1OC ZINC000559566870 566557074 /nfs/dbraw/zinc/55/70/74/566557074.db2.gz LCWDEXYRMQAGFD-VIFPVBQESA-N 0 1 397.273 3.199 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(Br)c(OC)c(OC)c2)C[C@H]1C ZINC000559567275 566558069 /nfs/dbraw/zinc/55/80/69/566558069.db2.gz PNKAXROKQNSFEJ-NEPJUHHUSA-N 0 1 385.302 3.021 20 0 GGADMN CC(C)c1nc(CN2CCN(C(=O)c3cc4sccc4s3)CC2)n[nH]1 ZINC000578827301 566558070 /nfs/dbraw/zinc/55/80/70/566558070.db2.gz CTGPVTMSKDUEGQ-UHFFFAOYSA-N 0 1 375.523 3.162 20 0 GGADMN CC(C)(C[C@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1)C(N)=O ZINC000449407684 566558271 /nfs/dbraw/zinc/55/82/71/566558271.db2.gz FQDFVIMKQPZCPY-GFCCVEGCSA-N 0 1 397.313 3.291 20 0 GGADMN COC(=O)C[C@H]1CCCCN1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000604305119 566558946 /nfs/dbraw/zinc/55/89/46/566558946.db2.gz UTNCEJOTTPCKBJ-CQSZACIVSA-N 0 1 387.307 3.070 20 0 GGADMN Cc1cc(CNCc2ccc(Br)cc2N2CCOCC2)ccn1 ZINC000449405064 566559251 /nfs/dbraw/zinc/55/92/51/566559251.db2.gz WYBUGOVSJLWPLD-UHFFFAOYSA-N 0 1 376.298 3.279 20 0 GGADMN CCOC1CC2(C1)CCN([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000512831249 566560428 /nfs/dbraw/zinc/56/04/28/566560428.db2.gz BLNXSSFQSAUUAS-TVRKMHQQSA-N 0 1 393.325 3.445 20 0 GGADMN O=C(NCc1cccc(-n2ccnc2)c1)c1n[nH]c2ccc(Br)cc21 ZINC000604375471 566562491 /nfs/dbraw/zinc/56/24/91/566562491.db2.gz LQAUSSFLNCIKAW-UHFFFAOYSA-N 0 1 396.248 3.441 20 0 GGADMN O[C@H]1CCC[C@@H]1N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000604384558 566563016 /nfs/dbraw/zinc/56/30/16/566563016.db2.gz WSNKPXMNXIQNKU-ROUUACIJSA-N 0 1 377.941 3.495 20 0 GGADMN COc1ccc(CCNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1OC ZINC000559639594 566563473 /nfs/dbraw/zinc/56/34/73/566563473.db2.gz PMUWZEMSKZPSSA-UHFFFAOYSA-N 0 1 391.823 3.156 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Cl)ccc(F)c1F ZINC000559640113 566565226 /nfs/dbraw/zinc/56/52/26/566565226.db2.gz JNIUECIRGCHFDF-ZDUSSCGKSA-N 0 1 386.851 3.171 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)ccc(F)c1F ZINC000559640113 566565231 /nfs/dbraw/zinc/56/52/31/566565231.db2.gz JNIUECIRGCHFDF-ZDUSSCGKSA-N 0 1 386.851 3.171 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(C)[C@@H](C)CCO ZINC000652046256 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CO[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000449492733 566569794 /nfs/dbraw/zinc/56/97/94/566569794.db2.gz CNZXKUPGNKYPGC-RDTXWAMCSA-N 0 1 383.330 3.143 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCN(C(C)C)CC1 ZINC000578972590 566570183 /nfs/dbraw/zinc/57/01/83/566570183.db2.gz BTWULKGWDRYLKL-YOEHRIQHSA-N 0 1 398.345 3.261 20 0 GGADMN CCC[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000539255980 566570126 /nfs/dbraw/zinc/57/01/26/566570126.db2.gz UBCCOGLDSVMSRP-INIZCTEOSA-N 0 1 386.323 3.163 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000466375494 566570298 /nfs/dbraw/zinc/57/02/98/566570298.db2.gz UHGOBPYIOWHRKZ-WMLDXEAASA-N 0 1 398.345 3.198 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000486226771 566570296 /nfs/dbraw/zinc/57/02/96/566570296.db2.gz NEOXQGGBCQRQBF-UHFFFAOYSA-N 0 1 381.410 3.166 20 0 GGADMN COc1c(Cl)cc(Cl)cc1CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000512972198 566570393 /nfs/dbraw/zinc/57/03/93/566570393.db2.gz 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O[C@@H]1CC[C@H]2CN(Cc3cn(-c4ccccc4Br)nn3)CC[C@H]2C1 ZINC000449556831 566574740 /nfs/dbraw/zinc/57/47/40/566574740.db2.gz SZCZTXQBFRWJOW-OFQRWUPVSA-N 0 1 391.313 3.013 20 0 GGADMN Brc1cccc2c(N3CCN(C[C@H]4CCCO4)CC3)ccnc12 ZINC000674062307 566575243 /nfs/dbraw/zinc/57/52/43/566575243.db2.gz NAHAUBHWTXSLEA-CQSZACIVSA-N 0 1 376.298 3.298 20 0 GGADMN Brc1cccc2c(N3CCN(C[C@@H]4CCCO4)CC3)ccnc12 ZINC000674062306 566575335 /nfs/dbraw/zinc/57/53/35/566575335.db2.gz NAHAUBHWTXSLEA-AWEZNQCLSA-N 0 1 376.298 3.298 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1OC ZINC000449553774 566575469 /nfs/dbraw/zinc/57/54/69/566575469.db2.gz MTERESSUKJCMTO-NFAWXSAZSA-N 0 1 384.314 3.449 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1OC ZINC000449553773 566575894 /nfs/dbraw/zinc/57/58/94/566575894.db2.gz MTERESSUKJCMTO-IPYPFGDCSA-N 0 1 384.314 3.449 20 0 GGADMN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(Br)cn1)C(F)(F)F ZINC000604766706 566576187 /nfs/dbraw/zinc/57/61/87/566576187.db2.gz 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Cn1cc(I)c(CN[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000449606051 566583413 /nfs/dbraw/zinc/58/34/13/566583413.db2.gz PEMZFCYHGUNGKL-IUCAKERBSA-N 0 1 387.187 3.235 20 0 GGADMN COc1ccc(C[C@H](CO)CNCc2csc(C)n2)cc1Br ZINC000449604659 566583528 /nfs/dbraw/zinc/58/35/28/566583528.db2.gz XTLFIASYJXIMES-ZDUSSCGKSA-N 0 1 385.327 3.163 20 0 GGADMN COc1c(NS(=O)(=O)c2cc(Cl)ccc2C)cc(Cl)cc1C(N)=O ZINC000560011065 566585008 /nfs/dbraw/zinc/58/50/08/566585008.db2.gz JLZVGWRRKDNWOO-UHFFFAOYSA-N 0 1 389.260 3.210 20 0 GGADMN CCc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000560012048 566585137 /nfs/dbraw/zinc/58/51/37/566585137.db2.gz ISHHQZPSLBLGCF-UHFFFAOYSA-N 0 1 383.853 3.498 20 0 GGADMN Cn1cc(I)c(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000449606800 566585407 /nfs/dbraw/zinc/58/54/07/566585407.db2.gz SDXUFMQTMPZYCA-TZMCWYRMSA-N 0 1 396.276 3.236 20 0 GGADMN OCC[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000539519270 566585543 /nfs/dbraw/zinc/58/55/43/566585543.db2.gz PDLKYKFYTGMVGY-MRXNPFEDSA-N 0 1 378.266 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Nc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000467060218 566622043 /nfs/dbraw/zinc/62/20/43/566622043.db2.gz ONJFZPYMLDZIFQ-OAHLLOKOSA-N 0 1 376.869 3.324 20 0 GGADMN CCO[C@H]1COCC[C@@H]1Nc1ccnc2cc(OC)c(Br)cc21 ZINC000425248364 566622830 /nfs/dbraw/zinc/62/28/30/566622830.db2.gz QYXWTAWBQKYAHN-YOEHRIQHSA-N 0 1 381.270 3.034 20 0 GGADMN COc1cc2nccc(N3CCN(C(C)C)C(=O)C3)c2cc1Br ZINC000425247601 566622868 /nfs/dbraw/zinc/62/28/68/566622868.db2.gz ONHIQFRLTZJFMH-UHFFFAOYSA-N 0 1 378.270 3.063 20 0 GGADMN COc1cc2nccc(N3C[C@H](C)S(=O)[C@@H](C)C3)c2cc1Br ZINC000425252894 566623065 /nfs/dbraw/zinc/62/30/65/566623065.db2.gz IAPFJWCWUGVGTR-QWRGUYRKSA-N 0 1 383.311 3.352 20 0 GGADMN COc1cc2nccc(NC[C@H]3CCCN(C(C)=O)C3)c2cc1Br ZINC000425252659 566623256 /nfs/dbraw/zinc/62/32/56/566623256.db2.gz BNAXAPYLSKEBRN-CYBMUJFWSA-N 0 1 392.297 3.098 20 0 GGADMN COc1cc2nccc(NC[C@@H]3CCCN(C(C)=O)C3)c2cc1Br ZINC000425252660 566623346 /nfs/dbraw/zinc/62/33/46/566623346.db2.gz 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/nfs/dbraw/zinc/62/44/13/566624413.db2.gz IERVJFQJIDBBHG-KZULUSFZSA-N 0 1 393.281 3.390 20 0 GGADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CC1CCC1 ZINC000540038142 566624690 /nfs/dbraw/zinc/62/46/90/566624690.db2.gz SMFIGDXDDSWZSJ-UHFFFAOYSA-N 0 1 378.460 3.199 20 0 GGADMN COc1cc2nccc(N3CC[C@H](C)[S@](=O)CC3)c2cc1Br ZINC000425260278 566624833 /nfs/dbraw/zinc/62/48/33/566624833.db2.gz NTHVYBJRNXOCBE-KPWVOAKYSA-N 0 1 383.311 3.353 20 0 GGADMN Cc1nc(S(=O)(=O)NCCO[C@H]2CCCC[C@H]2C)sc1Br ZINC000540039849 566624938 /nfs/dbraw/zinc/62/49/38/566624938.db2.gz AVDAAIKNXRFSDN-KOLCDFICSA-N 0 1 397.360 3.088 20 0 GGADMN COc1cc2nccc(N3CC[S@](=O)C[C@@H](C)C3)c2cc1Br ZINC000425259500 566624853 /nfs/dbraw/zinc/62/48/53/566624853.db2.gz MEHXOCLNYRHTQN-SAHAZLINSA-N 0 1 383.311 3.211 20 0 GGADMN O=C(N1CCc2[nH]nnc2C1)C1(c2ccccc2Br)CCCCC1 ZINC000450029535 566625204 /nfs/dbraw/zinc/62/52/04/566625204.db2.gz VRQUNBPYCKEQRL-UHFFFAOYSA-N 0 1 389.297 3.354 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1nc2c(cccc2Br)s1 ZINC000560429935 566625188 /nfs/dbraw/zinc/62/51/88/566625188.db2.gz VCRGUCNTOBJMAE-UHFFFAOYSA-N 0 1 393.270 3.376 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000513801526 566625632 /nfs/dbraw/zinc/62/56/32/566625632.db2.gz XTCWTZYXRILZQH-GFCCVEGCSA-N 0 1 377.340 3.038 20 0 GGADMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3O)cc2F)c1 ZINC000513813322 566626910 /nfs/dbraw/zinc/62/69/10/566626910.db2.gz BHLUEFQIUFJZDZ-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCCOc1cccc(Br)c1 ZINC000606339248 566627034 /nfs/dbraw/zinc/62/70/34/566627034.db2.gz UMJZFUDDGDDPAU-QGZVFWFLSA-N 0 1 383.330 3.407 20 0 GGADMN Cc1nc(C)n(CCCC(=O)Nc2cc(Cl)cc(Br)c2O)n1 ZINC000450041275 566627151 /nfs/dbraw/zinc/62/71/51/566627151.db2.gz IGOJJXWVRGBIEM-UHFFFAOYSA-N 0 1 387.665 3.435 20 0 GGADMN C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1nc2c(s1)CCCC2 ZINC000540087180 566627691 /nfs/dbraw/zinc/62/76/91/566627691.db2.gz XCLLFFHPYQIYCE-CYBMUJFWSA-N 0 1 380.535 3.155 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000513815177 566627636 /nfs/dbraw/zinc/62/76/36/566627636.db2.gz OMICRCJHISWBSR-UHFFFAOYSA-N 0 1 376.217 3.286 20 0 GGADMN Cc1ncsc1CCC(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000425293077 566627589 /nfs/dbraw/zinc/62/75/89/566627589.db2.gz BFBLGLVAMSITMH-UHFFFAOYSA-N 0 1 375.885 3.182 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000606339898 566627784 /nfs/dbraw/zinc/62/77/84/566627784.db2.gz REHZCTOYPCEWAY-INIZCTEOSA-N 0 1 379.298 3.024 20 0 GGADMN O=C(c1cc(Cl)cc(Br)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425293499 566627792 /nfs/dbraw/zinc/62/77/92/566627792.db2.gz BVFJBQCTIQHWCB-QMMMGPOBSA-N 0 1 386.633 3.211 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000652746763 566628036 /nfs/dbraw/zinc/62/80/36/566628036.db2.gz CLAHTEXOEDLISW-UHFFFAOYSA-N 0 1 382.295 3.173 20 0 GGADMN O=C(CCCc1ccccc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425300005 566628747 /nfs/dbraw/zinc/62/87/47/566628747.db2.gz 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ZINC000425316049 566630532 /nfs/dbraw/zinc/63/05/32/566630532.db2.gz BXTFPVHJOSUWBK-UHFFFAOYSA-N 0 1 398.232 3.016 20 0 GGADMN COc1c(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1Br ZINC000579686886 566630949 /nfs/dbraw/zinc/63/09/49/566630949.db2.gz NTUYNKJHDPOMFQ-ZETCQYMHSA-N 0 1 381.064 3.125 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CSc2ccc(F)c(F)c2)c1 ZINC000513859936 566631039 /nfs/dbraw/zinc/63/10/39/566631039.db2.gz RJCBOKPRVGYZIB-UHFFFAOYSA-N 0 1 387.429 3.195 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](C)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000540144941 566631224 /nfs/dbraw/zinc/63/12/24/566631224.db2.gz AOZJYFRJCOEPBL-CQSZACIVSA-N 0 1 382.913 3.286 20 0 GGADMN Cc1ccc(C(C)(C)CN[C@H](C(N)=O)c2ccc(Br)cc2)nc1 ZINC000629257716 566631242 /nfs/dbraw/zinc/63/12/42/566631242.db2.gz QURFLDDHKFYQFE-INIZCTEOSA-N 0 1 376.298 3.246 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCS(=O)(=O)NC(C)(C)C ZINC000540144998 566631416 /nfs/dbraw/zinc/63/14/16/566631416.db2.gz BGQHGDJGZLAFRY-CYBMUJFWSA-N 0 1 381.567 3.487 20 0 GGADMN CCN1CCO[C@@H](CNCc2ccc(Br)cn2)[C@@H]1c1ccccc1 ZINC000486868371 566631719 /nfs/dbraw/zinc/63/17/19/566631719.db2.gz JHZLHPPADSCJRA-OALUTQOASA-N 0 1 390.325 3.396 20 0 GGADMN Cc1cc(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]1 ZINC000606459187 566632327 /nfs/dbraw/zinc/63/23/27/566632327.db2.gz GXDPOQUTXXNRDD-UHFFFAOYSA-N 0 1 387.305 3.234 20 0 GGADMN C[C@H](CO)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000652865856 566633706 /nfs/dbraw/zinc/63/37/06/566633706.db2.gz KBTXPRWYOCQWST-GFCCVEGCSA-N 0 1 392.297 3.320 20 0 GGADMN O=S(=O)(C1CC1)N1CCC[C@@H](NCc2cnc(C3CCCCC3)s2)C1 ZINC000560503328 566634061 /nfs/dbraw/zinc/63/40/61/566634061.db2.gz DYYTZVSDMQIWOO-OAHLLOKOSA-N 0 1 383.583 3.237 20 0 GGADMN Cc1cc(CNC(=O)NC[C@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000606503854 566634298 /nfs/dbraw/zinc/63/42/98/566634298.db2.gz KNBLXFLJGZEGNM-NSHDSACASA-N 0 1 383.315 3.461 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@H]1CCc2c1cc(Br)cc2Cl ZINC000540193299 566634558 /nfs/dbraw/zinc/63/45/58/566634558.db2.gz 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CC(C)NS(=O)(=O)Cc1ccccc1CNCc1scnc1C1CC1 ZINC000487271288 566660398 /nfs/dbraw/zinc/66/03/98/566660398.db2.gz QMFAVHIEASEQCJ-UHFFFAOYSA-N 0 1 379.551 3.138 20 0 GGADMN C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1nc(C(F)(F)F)cs1 ZINC000467737057 566661311 /nfs/dbraw/zinc/66/13/11/566661311.db2.gz ZXOLVCKHGBCDEV-RISCZKNCSA-N 0 1 381.489 3.020 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cnc3onc(C)c3c2)cc1Br ZINC000487299370 566661627 /nfs/dbraw/zinc/66/16/27/566661627.db2.gz OJPIQFDEKKRJMK-UHFFFAOYSA-N 0 1 398.238 3.103 20 0 GGADMN Fc1cc2nccc(N3CC[C@@H](CN4CCOCC4)C3)c2cc1Br ZINC000450354991 566662406 /nfs/dbraw/zinc/66/24/06/566662406.db2.gz PAYDAKQSKNECSQ-ZDUSSCGKSA-N 0 1 394.288 3.295 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629497824 566662278 /nfs/dbraw/zinc/66/22/78/566662278.db2.gz CBZJRBOMONDUQT-MWLCHTKSSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629497824 566662285 /nfs/dbraw/zinc/66/22/85/566662285.db2.gz CBZJRBOMONDUQT-MWLCHTKSSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@@H]1C[N@H+](Cc2nc(-c3ccc(Br)s3)no2)CC[C@@H]1C(=O)[O-] ZINC000629496313 566662596 /nfs/dbraw/zinc/66/25/96/566662596.db2.gz RCMLTQCJKZQNID-BDAKNGLRSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)CC[C@@H]1C(=O)[O-] ZINC000629496313 566662604 /nfs/dbraw/zinc/66/26/04/566662604.db2.gz RCMLTQCJKZQNID-BDAKNGLRSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@H]1C[N@H+](Cc2nc(-c3ccc(Br)s3)no2)CC[C@H]1C(=O)[O-] ZINC000629496314 566662915 /nfs/dbraw/zinc/66/29/15/566662915.db2.gz RCMLTQCJKZQNID-DTWKUNHWSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)CC[C@H]1C(=O)[O-] ZINC000629496314 566662918 /nfs/dbraw/zinc/66/29/18/566662918.db2.gz RCMLTQCJKZQNID-DTWKUNHWSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629497826 566663007 /nfs/dbraw/zinc/66/30/07/566663007.db2.gz CBZJRBOMONDUQT-ONGXEEELSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000629497826 566663010 /nfs/dbraw/zinc/66/30/10/566663010.db2.gz CBZJRBOMONDUQT-ONGXEEELSA-N 0 1 378.778 3.340 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccnc2c(Br)cccc12)C1CCOCC1 ZINC000580074894 566663265 /nfs/dbraw/zinc/66/32/65/566663265.db2.gz MHHOFFGADFJPPS-UHFFFAOYSA-N 0 1 393.281 3.453 20 0 GGADMN COc1ccc(Br)c(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000675782009 566664071 /nfs/dbraw/zinc/66/40/71/566664071.db2.gz KCKIZRCGBOGDQK-GFCCVEGCSA-N 0 1 388.269 3.284 20 0 GGADMN CC(C)(N)c1noc(CN2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000629550197 566664150 /nfs/dbraw/zinc/66/41/50/566664150.db2.gz NEWIYUXCNDXMQQ-CYBMUJFWSA-N 0 1 397.342 3.393 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000675778308 566664510 /nfs/dbraw/zinc/66/45/10/566664510.db2.gz DBAGZRUVPDUBKT-LBPRGKRZSA-N 0 1 381.885 3.001 20 0 GGADMN CCN1C[C@H](C)N(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)[C@@H](C)C1 ZINC000580094026 566665372 /nfs/dbraw/zinc/66/53/72/566665372.db2.gz OVXJUJGNCLDLEL-MKBNYLNASA-N 0 1 381.929 3.084 20 0 GGADMN Cc1cc([C@H](Cc2ccccc2Cl)NC[C@H]2CS(=O)(=O)CCO2)cs1 ZINC000514712135 566665466 /nfs/dbraw/zinc/66/54/66/566665466.db2.gz QUBNCUXTLBPPRC-WMZOPIPTSA-N 0 1 399.965 3.397 20 0 GGADMN C[C@@H](CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)S(C)(=O)=O ZINC000560909739 566665652 /nfs/dbraw/zinc/66/56/52/566665652.db2.gz PSGXUZJTAHTUCN-GUYCJALGSA-N 0 1 397.338 3.151 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000607280504 566666499 /nfs/dbraw/zinc/66/64/99/566666499.db2.gz UOJFABKIOZTPNS-TXEJJXNPSA-N 0 1 379.917 3.431 20 0 GGADMN O=S1(=O)C[C@@H](N[C@@H]2CCc3cccc(Br)c3C2)c2ccccc21 ZINC000514743591 566667054 /nfs/dbraw/zinc/66/70/54/566667054.db2.gz JBHJDVOEGDYMEX-CXAGYDPISA-N 0 1 392.318 3.425 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c1 ZINC000487385848 566668155 /nfs/dbraw/zinc/66/81/55/566668155.db2.gz FEYWMNYNFGCOPD-UHFFFAOYSA-N 0 1 384.866 3.194 20 0 GGADMN C[C@@](O)(CNCc1cccc(Br)c1OC(F)F)C(F)(F)F ZINC000540734629 566668608 /nfs/dbraw/zinc/66/86/08/566668608.db2.gz QIDRZHWOHQMVJC-LLVKDONJSA-N 0 1 378.135 3.453 20 0 GGADMN NC(=O)[C@H](CNCc1cc(O)ccc1Br)Cc1ccccc1Cl ZINC000540731617 566668715 /nfs/dbraw/zinc/66/87/15/566668715.db2.gz DJVYJLDJKCUBFM-ZDUSSCGKSA-N 0 1 397.700 3.242 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000467804235 566669476 /nfs/dbraw/zinc/66/94/76/566669476.db2.gz WMUYKMIVYMBADD-UHFFFAOYSA-N 0 1 383.677 3.402 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1cn[nH]c1C ZINC000467816560 566669535 /nfs/dbraw/zinc/66/95/35/566669535.db2.gz GJEIFLJQZDMRNO-XHDPSFHLSA-N 0 1 381.274 3.056 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc(Br)ccc1F ZINC000540790194 566671444 /nfs/dbraw/zinc/67/14/44/566671444.db2.gz KXVBHANVBAYQHQ-LRDDRELGSA-N 0 1 389.309 3.416 20 0 GGADMN O=C(CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1nncs1 ZINC000514843351 566673094 /nfs/dbraw/zinc/67/30/94/566673094.db2.gz FXKCXLYHSUYRBG-CYBMUJFWSA-N 0 1 376.873 3.234 20 0 GGADMN O=S(=O)([N-]c1ccnn1-c1cc[nH+]cc1)c1cc(Cl)sc1Cl ZINC000676028431 566673984 /nfs/dbraw/zinc/67/39/84/566673984.db2.gz WDHAPHBIFDDRRF-UHFFFAOYSA-N 0 1 375.262 3.436 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCc2c(F)cc(Br)cc2C1 ZINC000676027342 566674065 /nfs/dbraw/zinc/67/40/65/566674065.db2.gz KSURVJAJAIZSIU-OAHLLOKOSA-N 0 1 393.260 3.457 20 0 GGADMN C[C@H]1CN(CCSc2nc(-c3ccccc3Br)n[nH]2)C[C@H](C)O1 ZINC000580216852 566674339 /nfs/dbraw/zinc/67/43/39/566674339.db2.gz JQIFBGBRRZSNDK-RYUDHWBXSA-N 0 1 397.342 3.436 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CCCSC2)cc1 ZINC000561074508 566674759 /nfs/dbraw/zinc/67/47/59/566674759.db2.gz BKKNQPOZTFBGKU-AWEZNQCLSA-N 0 1 396.559 3.483 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000514857327 566674887 /nfs/dbraw/zinc/67/48/87/566674887.db2.gz NVEGSPDBMCWFHZ-KRWDZBQOSA-N 0 1 375.266 3.179 20 0 GGADMN C[C@@H](O)CN1CCN(c2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000450467463 566675125 /nfs/dbraw/zinc/67/51/25/566675125.db2.gz LCIAZOIEAPPYSA-LLVKDONJSA-N 0 1 384.705 3.154 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@H]1OCCc2sccc21 ZINC000487518937 566677486 /nfs/dbraw/zinc/67/74/86/566677486.db2.gz KOYFGANOKYERAM-RVSPLBMKSA-N 0 1 379.551 3.414 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2Br)C[C@@H]1C ZINC000450497734 566678548 /nfs/dbraw/zinc/67/85/48/566678548.db2.gz FBHXFKCKHKXGIW-NWDGAFQWSA-N 0 1 385.302 3.021 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1)c1cccs1 ZINC000487519790 566678644 /nfs/dbraw/zinc/67/86/44/566678644.db2.gz LTIPRNMXVJBQHG-WCQYABFASA-N 0 1 379.448 3.102 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](CO)Cc2ccco2)c(OC)c1 ZINC000676202291 566679244 /nfs/dbraw/zinc/67/92/44/566679244.db2.gz DXYLBYJVYDLKIX-LBPRGKRZSA-N 0 1 384.270 3.000 20 0 GGADMN CCN1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000561148266 566679943 /nfs/dbraw/zinc/67/99/43/566679943.db2.gz OWNOJRZSHRFARQ-NSHDSACASA-N 0 1 378.826 3.108 20 0 GGADMN Cc1cc(NC(=O)C2CCN(Cc3cc(Br)ccc3C)CC2)no1 ZINC000450514289 566680416 /nfs/dbraw/zinc/68/04/16/566680416.db2.gz YTHMORWBNBILJV-UHFFFAOYSA-N 0 1 392.297 3.327 20 0 GGADMN Cc1nc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(Br)s1 ZINC000561165501 566681893 /nfs/dbraw/zinc/68/18/93/566681893.db2.gz IAEVHVAEEXSGRO-GFCCVEGCSA-N 0 1 386.290 3.386 20 0 GGADMN Cc1nc([C@H](C)Nc2nc(C(F)(F)F)ccc2I)n[nH]1 ZINC000450534710 566682538 /nfs/dbraw/zinc/68/25/38/566682538.db2.gz HKCNZASMMSFJRP-YFKPBYRVSA-N 0 1 397.142 3.305 20 0 GGADMN CC[C@]1(O)CCN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000425932643 566682491 /nfs/dbraw/zinc/68/24/91/566682491.db2.gz VXQDLRYUOPABOX-INIZCTEOSA-N 0 1 398.244 3.293 20 0 GGADMN COCCCNC(=O)[C@@H](C)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425921614 566682515 /nfs/dbraw/zinc/68/25/15/566682515.db2.gz DDMYSEFRRCCYFL-OAHLLOKOSA-N 0 1 397.357 3.478 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000676271095 566683049 /nfs/dbraw/zinc/68/30/49/566683049.db2.gz JXKJEYUFLCTZSM-CVEARBPZSA-N 0 1 396.329 3.129 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1C(=O)[O-] ZINC000629772650 566684123 /nfs/dbraw/zinc/68/41/23/566684123.db2.gz URXJZZYLAIQION-FZMZJTMJSA-N 0 1 378.270 3.382 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc(Br)c1OC ZINC000629771943 566684388 /nfs/dbraw/zinc/68/43/88/566684388.db2.gz KEEUYBDDQQINGG-DGCLKSJQSA-N 0 1 386.286 3.399 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@H]1C(=O)[O-] ZINC000629772768 566684800 /nfs/dbraw/zinc/68/48/00/566684800.db2.gz WUBFUJJSCONLJX-BXUZGUMPSA-N 0 1 378.270 3.382 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629772364 566684840 /nfs/dbraw/zinc/68/48/40/566684840.db2.gz NSFPUJGWJBROTB-BLLLJJGKSA-N 0 1 378.270 3.177 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000540958185 566685409 /nfs/dbraw/zinc/68/54/09/566685409.db2.gz SOFUNPAYSCDOPM-UHFFFAOYSA-N 0 1 384.661 3.482 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000607903905 566685599 /nfs/dbraw/zinc/68/55/99/566685599.db2.gz VYHDWESYKCJVBV-BRSBDYLESA-N 0 1 383.319 3.155 20 0 GGADMN CCN(CC(=O)N(Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000468151892 566685776 /nfs/dbraw/zinc/68/57/76/566685776.db2.gz FDHVUVROFRZVIG-UHFFFAOYSA-N 0 1 395.341 3.441 20 0 GGADMN O=C(CCC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Br)cc1 ZINC000450576337 566685932 /nfs/dbraw/zinc/68/59/32/566685932.db2.gz PIHZMLWRINFSDS-GOSISDBHSA-N 0 1 379.298 3.014 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000607903906 566686713 /nfs/dbraw/zinc/68/67/13/566686713.db2.gz VYHDWESYKCJVBV-TVFCKZIOSA-N 0 1 383.319 3.155 20 0 GGADMN O=C(NCc1cccc2c1OCCCO2)c1cccc(Br)c1O ZINC000676349403 566687009 /nfs/dbraw/zinc/68/70/09/566687009.db2.gz XWPMHMHMHZJFPV-UHFFFAOYSA-N 0 1 378.222 3.246 20 0 GGADMN O=C(CCSc1nc2ccc(Cl)cc2[nH]1)NC(=O)NCCC(F)(F)F ZINC000450586082 566687320 /nfs/dbraw/zinc/68/73/20/566687320.db2.gz RGEMOBCFJHDVQI-UHFFFAOYSA-N 0 1 394.806 3.477 20 0 GGADMN OCC[C@@H](NC[C@@H](O)COc1ccccc1F)c1ccccc1Br ZINC000541021950 566687613 /nfs/dbraw/zinc/68/76/13/566687613.db2.gz UZUBALRUIPOVFO-CXAGYDPISA-N 0 1 398.272 3.041 20 0 GGADMN Cc1ccc2cc([C@@H](C)NC[C@H](O)CS(=O)(=O)c3cccs3)oc2c1 ZINC000426032161 566687789 /nfs/dbraw/zinc/68/77/89/566687789.db2.gz WZLCJYGRGITRCC-HIFRSBDPSA-N 0 1 379.503 3.288 20 0 GGADMN OCC[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1Br ZINC000541019172 566688134 /nfs/dbraw/zinc/68/81/34/566688134.db2.gz IMUOFXZNZBRBKI-KDOFPFPSSA-N 0 1 398.272 3.041 20 0 GGADMN Cc1ccc2cc([C@H](C)NC[C@H](O)CS(=O)(=O)c3cccs3)oc2c1 ZINC000426032163 566688137 /nfs/dbraw/zinc/68/81/37/566688137.db2.gz WZLCJYGRGITRCC-ZFWWWQNUSA-N 0 1 379.503 3.288 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000515077671 566689490 /nfs/dbraw/zinc/68/94/90/566689490.db2.gz SKDDTRDXSAVBDB-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1n[nH]c2ccccc21 ZINC000487754614 566690237 /nfs/dbraw/zinc/69/02/37/566690237.db2.gz GFKLZAFFHHTZBI-ZDUSSCGKSA-N 0 1 385.265 3.334 20 0 GGADMN Cc1ccccc1[C@@H](CO)NCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000541053357 566691514 /nfs/dbraw/zinc/69/15/14/566691514.db2.gz FDYYTJQYUIXDEI-KBXCAEBGSA-N 0 1 391.309 3.258 20 0 GGADMN Cc1ccccc1[C@H](CO)NCC(=O)Nc1ccc(Br)cc1C ZINC000541055080 566692399 /nfs/dbraw/zinc/69/23/99/566692399.db2.gz RSJSMDUDBHQIKS-KRWDZBQOSA-N 0 1 377.282 3.328 20 0 GGADMN CCc1[nH]nc(C(=O)N(CC)Cc2ccc3c(c2)OCO3)c1Br ZINC000468239833 566692737 /nfs/dbraw/zinc/69/27/37/566692737.db2.gz IPYXWKBXCGYONV-UHFFFAOYSA-N 0 1 380.242 3.126 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1Br ZINC000468234851 566692944 /nfs/dbraw/zinc/69/29/44/566692944.db2.gz PDHMTELGKUAGOQ-UHFFFAOYSA-N 0 1 397.704 3.350 20 0 GGADMN CN(CCNCc1cccc(Cl)c1Cl)S(=O)(=O)c1cccs1 ZINC000676419073 566692969 /nfs/dbraw/zinc/69/29/69/566692969.db2.gz UEFGDCIWIRXTIR-UHFFFAOYSA-N 0 1 379.334 3.465 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000580429900 566693229 /nfs/dbraw/zinc/69/32/29/566693229.db2.gz ITFPMAOIOIFJIL-AWEZNQCLSA-N 0 1 397.313 3.021 20 0 GGADMN CCN(CC(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1)C1CC1 ZINC000487868794 566694748 /nfs/dbraw/zinc/69/47/48/566694748.db2.gz FBSVEBGSPDWKEN-OAHLLOKOSA-N 0 1 394.357 3.139 20 0 GGADMN Cc1cc(I)cc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000561329769 566695146 /nfs/dbraw/zinc/69/51/46/566695146.db2.gz NKZKAGZLOXBKLD-UHFFFAOYSA-N 0 1 384.221 3.069 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(Br)s1 ZINC000561332048 566695250 /nfs/dbraw/zinc/69/52/50/566695250.db2.gz CFDVVSBLJPUHRL-ZDUSSCGKSA-N 0 1 380.311 3.218 20 0 GGADMN COc1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1Br ZINC000487907687 566695795 /nfs/dbraw/zinc/69/57/95/566695795.db2.gz CFFHZHXILHGOPC-YOEHRIQHSA-N 0 1 393.325 3.433 20 0 GGADMN CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000608040608 566695928 /nfs/dbraw/zinc/69/59/28/566695928.db2.gz HMLRJUWLQQTSEZ-SFHVURJKSA-N 0 1 378.925 3.376 20 0 GGADMN O[C@@H]1CCC[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)C1 ZINC000580482257 566696206 /nfs/dbraw/zinc/69/62/06/566696206.db2.gz LKBMBIABIWACOA-ZYHUDNBSSA-N 0 1 390.241 3.303 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](OC2CCC2)C1 ZINC000653816268 566696527 /nfs/dbraw/zinc/69/65/27/566696527.db2.gz QZRFCMQKEQPGMV-KRWDZBQOSA-N 0 1 395.341 3.441 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000653816269 566696694 /nfs/dbraw/zinc/69/66/94/566696694.db2.gz QZRFCMQKEQPGMV-QGZVFWFLSA-N 0 1 395.341 3.441 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2sc(Br)cc2C1 ZINC000676468257 566697167 /nfs/dbraw/zinc/69/71/67/566697167.db2.gz HNRUAYNVRWBTGJ-NSHDSACASA-N 0 1 381.299 3.379 20 0 GGADMN CN(CC(=O)Nc1cnc(-c2ccc(Br)s2)nc1)C1CCC1 ZINC000630008547 566697178 /nfs/dbraw/zinc/69/71/78/566697178.db2.gz CRKNBNGGZAIUHW-UHFFFAOYSA-N 0 1 381.299 3.390 20 0 GGADMN CC(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000541123642 566697575 /nfs/dbraw/zinc/69/75/75/566697575.db2.gz ZFRIXDHNTCLJNF-IZHWHUGBSA-N 0 1 379.547 3.457 20 0 GGADMN CN(CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1)C1CCC1 ZINC000629975989 566697706 /nfs/dbraw/zinc/69/77/06/566697706.db2.gz ZJIGXWTXRJRQQM-UHFFFAOYSA-N 0 1 391.269 3.454 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2nc(Sc3ccccc3)ns2)CC[N@H+]1C ZINC000580499544 566698077 /nfs/dbraw/zinc/69/80/77/566698077.db2.gz BEANWJFJOLWQNW-AWEZNQCLSA-N 0 1 377.539 3.493 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2nc(Sc3ccccc3)ns2)CCN1C ZINC000580499544 566698084 /nfs/dbraw/zinc/69/80/84/566698084.db2.gz BEANWJFJOLWQNW-AWEZNQCLSA-N 0 1 377.539 3.493 20 0 GGADMN CC(C)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000541123649 566698413 /nfs/dbraw/zinc/69/84/13/566698413.db2.gz ZFRIXDHNTCLJNF-MYYSRTQBSA-N 0 1 379.547 3.457 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000676479669 566698775 /nfs/dbraw/zinc/69/87/75/566698775.db2.gz WIHXOFUTRWAVSE-OAHLLOKOSA-N 0 1 381.307 3.485 20 0 GGADMN C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000515236397 566699162 /nfs/dbraw/zinc/69/91/62/566699162.db2.gz MGJIXWHBMJCVBW-NWDGAFQWSA-N 0 1 379.258 3.137 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000580513598 566699334 /nfs/dbraw/zinc/69/93/34/566699334.db2.gz LZHKUUPYXUFNKE-SECBINFHSA-N 0 1 399.195 3.483 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(Br)cn2)c1 ZINC000580508613 566699897 /nfs/dbraw/zinc/69/98/97/566699897.db2.gz IXPPAQBAJVWNOF-CYBMUJFWSA-N 0 1 392.297 3.210 20 0 GGADMN O=C1C[C@H](NCc2ccc(Br)cn2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000608072169 566700102 /nfs/dbraw/zinc/70/01/02/566700102.db2.gz XYLMUTJTNIQOBI-RCCFBDPRSA-N 0 1 386.293 3.091 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)n[nH]1 ZINC000561378728 566700374 /nfs/dbraw/zinc/70/03/74/566700374.db2.gz ATNWYFFAIVICSF-SECBINFHSA-N 0 1 376.258 3.085 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc3ccc(=O)n(C)c3c2)c(Cl)c1 ZINC000515247524 566700855 /nfs/dbraw/zinc/70/08/55/566700855.db2.gz LCCAQELCOCJECE-UHFFFAOYSA-N 0 1 378.837 3.001 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2c(Cl)oc3ccccc32)C1)C1CC1 ZINC000561396094 566701632 /nfs/dbraw/zinc/70/16/32/566701632.db2.gz BUPLWIBZBSPKAO-CYBMUJFWSA-N 0 1 382.913 3.380 20 0 GGADMN Cc1n[nH]c(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000676631880 566701969 /nfs/dbraw/zinc/70/19/69/566701969.db2.gz IQRODSOJIURAJG-UHFFFAOYSA-N 0 1 385.295 3.325 20 0 GGADMN Cc1ccc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c(Br)c1 ZINC000653917813 566702630 /nfs/dbraw/zinc/70/26/30/566702630.db2.gz DFAOJJGCEFPJAG-LBPRGKRZSA-N 0 1 380.246 3.049 20 0 GGADMN CNC(=O)[C@@]1(C)CCN(Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000561412040 566703507 /nfs/dbraw/zinc/70/35/07/566703507.db2.gz VCJUFXRWOGTACH-AWEZNQCLSA-N 0 1 379.220 3.426 20 0 GGADMN OC1(CNCc2cn(-c3ccccc3Br)nn2)CCCCCC1 ZINC000561405749 566703519 /nfs/dbraw/zinc/70/35/19/566703519.db2.gz KKQINTOKJSVHDF-UHFFFAOYSA-N 0 1 379.302 3.205 20 0 GGADMN C[C@@H]1CSC[C@@H]1Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000561419458 566703593 /nfs/dbraw/zinc/70/35/93/566703593.db2.gz LNOHIVGZBCIBOO-BMIGLBTASA-N 0 1 385.461 3.324 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc(N3CN=NC3=O)c2C)c1Cl ZINC000515307097 566703746 /nfs/dbraw/zinc/70/37/46/566703746.db2.gz XGHOJFOPVRTMPX-UHFFFAOYSA-N 0 1 378.841 3.044 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000653945258 566704296 /nfs/dbraw/zinc/70/42/96/566704296.db2.gz PWJZXRXDSSSHNJ-GFCCVEGCSA-N 0 1 394.273 3.357 20 0 GGADMN Cc1cc(CNC(=O)CCc2nc3cc(Br)ccc3s2)n[nH]1 ZINC000608135141 566704407 /nfs/dbraw/zinc/70/44/07/566704407.db2.gz MCZPZARTZPYFGE-UHFFFAOYSA-N 0 1 379.283 3.339 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000653945259 566704499 /nfs/dbraw/zinc/70/44/99/566704499.db2.gz PWJZXRXDSSSHNJ-LBPRGKRZSA-N 0 1 394.273 3.357 20 0 GGADMN OC[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676706140 566704947 /nfs/dbraw/zinc/70/49/47/566704947.db2.gz ITEGICHVQDCBJY-LIRRHRJNSA-N 0 1 382.287 3.325 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000561437376 566704979 /nfs/dbraw/zinc/70/49/79/566704979.db2.gz PTQWYGUTPHQYJB-UHFFFAOYSA-N 0 1 392.304 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)CN1CCOc2ccc(Cl)cc21)c1ccsc1 ZINC000468505819 566705047 /nfs/dbraw/zinc/70/50/47/566705047.db2.gz HKLHHNOIOHHTBO-INIZCTEOSA-N 0 1 379.913 3.019 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2nc(C(=O)OC)c(C(C)C)s2)cc1 ZINC000515327126 566705834 /nfs/dbraw/zinc/70/58/34/566705834.db2.gz DHNOGLDMTWEZLY-UHFFFAOYSA-N 0 1 384.479 3.253 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)N1CCc2ccc(Br)cc21 ZINC000488093019 566707578 /nfs/dbraw/zinc/70/75/78/566707578.db2.gz YJQPDYPDLLKFAG-UHFFFAOYSA-N 0 1 395.278 3.024 20 0 GGADMN O=C(CN1CCc2cn[nH]c2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000676792718 566707967 /nfs/dbraw/zinc/70/79/67/566707967.db2.gz RGPIEGDMWBVLGV-QGZVFWFLSA-N 0 1 379.291 3.438 20 0 GGADMN Cc1cc(Br)c(F)cc1NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654039714 566708748 /nfs/dbraw/zinc/70/87/48/566708748.db2.gz IVJMUTNPQKVFSD-LBPRGKRZSA-N 0 1 398.236 3.188 20 0 GGADMN C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1ccc(Br)cc1 ZINC000608217760 566708946 /nfs/dbraw/zinc/70/89/46/566708946.db2.gz WHSRBQMHYXEABM-LLVKDONJSA-N 0 1 378.270 3.248 20 0 GGADMN OCC1(NCc2nc(-c3ccc(Br)cc3)c[nH]2)Cc2ccccc2C1 ZINC000561491308 566709312 /nfs/dbraw/zinc/70/93/12/566709312.db2.gz YFCGVFOANDNPBK-UHFFFAOYSA-N 0 1 398.304 3.459 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NC1(Cc2ccccc2Br)CC1 ZINC000488150155 566709389 /nfs/dbraw/zinc/70/93/89/566709389.db2.gz NDVAOFADQOPJTK-UHFFFAOYSA-N 0 1 391.313 3.488 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000608220827 566709889 /nfs/dbraw/zinc/70/98/89/566709889.db2.gz TZCQRKRTFHFSLB-LLVKDONJSA-N 0 1 399.248 3.317 20 0 GGADMN Cc1cc(C)c(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1Br ZINC000654041982 566710357 /nfs/dbraw/zinc/71/03/57/566710357.db2.gz JVUBNISHKPPFBE-ZDUSSCGKSA-N 0 1 394.273 3.357 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)Nc1c(Cl)cccc1Cl ZINC000580628093 566710632 /nfs/dbraw/zinc/71/06/32/566710632.db2.gz OSOWELONXARTHW-JTQLQIEISA-N 0 1 384.267 3.025 20 0 GGADMN Cn1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c(-c2cccnc2)n1 ZINC000608220735 566710662 /nfs/dbraw/zinc/71/06/62/566710662.db2.gz SJRCABZUEXYMNP-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN COC(=O)c1ccc(CN(CCO)Cc2cccc(Br)c2)cc1 ZINC000488174072 566710757 /nfs/dbraw/zinc/71/07/57/566710757.db2.gz GABCJQZCTRISPO-UHFFFAOYSA-N 0 1 378.266 3.230 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000608220828 566711066 /nfs/dbraw/zinc/71/10/66/566711066.db2.gz TZCQRKRTFHFSLB-NSHDSACASA-N 0 1 399.248 3.317 20 0 GGADMN CN(C)C(=O)c1cccc(CN(CCO)Cc2cccc(Br)c2)c1 ZINC000488173711 566711271 /nfs/dbraw/zinc/71/12/71/566711271.db2.gz FNBMWUJRMRORNM-UHFFFAOYSA-N 0 1 391.309 3.145 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000630221727 566713056 /nfs/dbraw/zinc/71/30/56/566713056.db2.gz BSOBMWFNWGHPBK-SNVBAGLBSA-N 0 1 384.860 3.315 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000630222673 566713167 /nfs/dbraw/zinc/71/31/67/566713167.db2.gz HDCUEAMLWLCTJG-NSHDSACASA-N 0 1 391.320 3.093 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000541309368 566713318 /nfs/dbraw/zinc/71/33/18/566713318.db2.gz ACJWDKJAIBJCOK-LBPRGKRZSA-N 0 1 385.429 3.324 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2O)ccc1C ZINC000608342349 566713526 /nfs/dbraw/zinc/71/35/26/566713526.db2.gz HTPKFIMYAQXMDT-UHFFFAOYSA-N 0 1 399.266 3.222 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000630222670 566713563 /nfs/dbraw/zinc/71/35/63/566713563.db2.gz HDCUEAMLWLCTJG-LLVKDONJSA-N 0 1 391.320 3.093 20 0 GGADMN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(Br)c(O)c1 ZINC000468611198 566714472 /nfs/dbraw/zinc/71/44/72/566714472.db2.gz MIRRFPFUZZHVHX-LLVKDONJSA-N 0 1 380.242 3.035 20 0 GGADMN COCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@H]1CCCSC1 ZINC000468609941 566714640 /nfs/dbraw/zinc/71/46/40/566714640.db2.gz IIDLQUSYNZYYQK-LBPRGKRZSA-N 0 1 398.326 3.310 20 0 GGADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1Cl ZINC000676889897 566714602 /nfs/dbraw/zinc/71/46/02/566714602.db2.gz WZMRXMFEMYKAPX-LBPRGKRZSA-N 0 1 382.835 3.121 20 0 GGADMN Cn1nc(CCNS(=O)(=O)c2c(Cl)ccc(F)c2F)c2ccccc21 ZINC000561531066 566715410 /nfs/dbraw/zinc/71/54/10/566715410.db2.gz IKRGOGWYBFCTGF-UHFFFAOYSA-N 0 1 385.823 3.026 20 0 GGADMN COc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000676905312 566715402 /nfs/dbraw/zinc/71/54/02/566715402.db2.gz UAEBSGWOBBFUMY-UHFFFAOYSA-N 0 1 395.333 3.132 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c(F)cc1Br ZINC000654084331 566715798 /nfs/dbraw/zinc/71/57/98/566715798.db2.gz ORTCXHCDUIHHNT-LBPRGKRZSA-N 0 1 398.236 3.188 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000426528645 566715932 /nfs/dbraw/zinc/71/59/32/566715932.db2.gz GFURCHNCACWNDG-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000541331634 566718362 /nfs/dbraw/zinc/71/83/62/566718362.db2.gz KHSMACAKEBFNSD-GFCCVEGCSA-N 0 1 375.296 3.225 20 0 GGADMN CC1(C)C[C@@H](O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000654119510 566718643 /nfs/dbraw/zinc/71/86/43/566718643.db2.gz SCFQVEKXDZHGBM-AWEZNQCLSA-N 0 1 392.297 3.462 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc(F)c1Br ZINC000654108932 566718690 /nfs/dbraw/zinc/71/86/90/566718690.db2.gz QJAXQGIASIFFTB-NSHDSACASA-N 0 1 398.236 3.188 20 0 GGADMN CCn1c(SCc2n[nH]c(C)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000488297484 566719506 /nfs/dbraw/zinc/71/95/06/566719506.db2.gz OHVVWJTVWZAKKV-SECBINFHSA-N 0 1 375.523 3.322 20 0 GGADMN CCN(Cc1cccc(Br)c1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000488291491 566719577 /nfs/dbraw/zinc/71/95/77/566719577.db2.gz FRBAKIHGZLUHAF-QGZVFWFLSA-N 0 1 391.313 3.200 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(CCCc2cnn(C)c2)CC1 ZINC000608500042 566719774 /nfs/dbraw/zinc/71/97/74/566719774.db2.gz UWIROTFTLYPKMQ-INIZCTEOSA-N 0 1 391.357 3.494 20 0 GGADMN CCN(Cc1cccc(Br)c1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000488291489 566719975 /nfs/dbraw/zinc/71/99/75/566719975.db2.gz FRBAKIHGZLUHAF-KRWDZBQOSA-N 0 1 391.313 3.200 20 0 GGADMN CNC(=O)N[C@@H]1CCN(Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000468693359 566721048 /nfs/dbraw/zinc/72/10/48/566721048.db2.gz JXSJTWGMSYUPTQ-CQSZACIVSA-N 0 1 378.270 3.212 20 0 GGADMN COc1cc(NCCNC(=O)c2cccc(Br)c2O)cc(OC)c1 ZINC000677000734 566721089 /nfs/dbraw/zinc/72/10/89/566721089.db2.gz WYVOAEOVQCTKPG-UHFFFAOYSA-N 0 1 395.253 3.014 20 0 GGADMN Cc1nc(COc2ccc(C[NH2+]Cc3nc(C(=O)[O-])cs3)cc2)cs1 ZINC000426638439 566721883 /nfs/dbraw/zinc/72/18/83/566721883.db2.gz JEGFXYZKNREZRL-UHFFFAOYSA-N 0 1 375.475 3.475 20 0 GGADMN CCNc1nc(C(=O)Nc2cc(Cl)cc(Br)c2O)cs1 ZINC000426632571 566722215 /nfs/dbraw/zinc/72/22/15/566722215.db2.gz XQDJUFVKGOXKKZ-UHFFFAOYSA-N 0 1 376.663 3.371 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H]2CCc3c2cc(F)cc3F)c(C)s1 ZINC000677041785 566722853 /nfs/dbraw/zinc/72/28/53/566722853.db2.gz AZWFTADAYGPMAK-MRXNPFEDSA-N 0 1 386.489 3.199 20 0 GGADMN Cc1[nH]nc2ncc(CN(CCO)Cc3cccc(Br)c3)cc12 ZINC000488366358 566723919 /nfs/dbraw/zinc/72/39/19/566723919.db2.gz LAXZZZWCKFNRKL-UHFFFAOYSA-N 0 1 375.270 3.023 20 0 GGADMN COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCN1CC=C(C)CC1 ZINC000468738299 566724094 /nfs/dbraw/zinc/72/40/94/566724094.db2.gz GYILCKYNVHRUQX-CQSZACIVSA-N 0 1 396.329 3.470 20 0 GGADMN COC(=O)[C@H]1CC12CCN(Cc1nc3ccc(Br)cc3o1)CC2 ZINC000580807960 566724609 /nfs/dbraw/zinc/72/46/09/566724609.db2.gz OUIZSOIKNMPCSI-GFCCVEGCSA-N 0 1 379.254 3.365 20 0 GGADMN Fc1ccc(Br)cc1-c1n[n-]c(=N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000468737539 566724607 /nfs/dbraw/zinc/72/46/07/566724607.db2.gz JGZLGNMCIBQULA-SNVBAGLBSA-N 0 1 394.273 3.152 20 0 GGADMN CN(C[C@@H]1CCCN(CCc2c(Cl)cccc2Cl)C1)S(C)(=O)=O ZINC000450969050 566724816 /nfs/dbraw/zinc/72/48/16/566724816.db2.gz AUCYYCZTSNEDBD-ZDUSSCGKSA-N 0 1 379.353 3.139 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccccc2CC(=O)[O-])c(Br)c1O ZINC000426715573 566725420 /nfs/dbraw/zinc/72/54/20/566725420.db2.gz RYYAKQDDDSXCFP-UHFFFAOYSA-N 0 1 380.238 3.080 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000677128815 566725575 /nfs/dbraw/zinc/72/55/75/566725575.db2.gz CJZBWGQQKJYYSV-LJQANCHMSA-N 0 1 388.261 3.469 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc(Br)cc1F ZINC000630416857 566726401 /nfs/dbraw/zinc/72/64/01/566726401.db2.gz IFGBIYZMEXZGOM-UHFFFAOYSA-N 0 1 383.265 3.394 20 0 GGADMN CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cc(Br)ccc2OC)n1 ZINC000426744769 566726469 /nfs/dbraw/zinc/72/64/69/566726469.db2.gz RWYZOHBWWPQJNT-MRXNPFEDSA-N 0 1 395.253 3.167 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1cc(C)c(Br)cn1)c1ccccc1 ZINC000450974117 566726800 /nfs/dbraw/zinc/72/68/00/566726800.db2.gz LRIFIICCZMJPAF-CQSZACIVSA-N 0 1 385.283 3.282 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1cc(C)c(Br)cn1)c1ccccc1 ZINC000450974112 566727353 /nfs/dbraw/zinc/72/73/53/566727353.db2.gz LRIFIICCZMJPAF-AWEZNQCLSA-N 0 1 385.283 3.282 20 0 GGADMN Clc1ccc(OCCN2CCC(Cn3cncn3)CC2)c(Br)c1 ZINC000426756746 566727736 /nfs/dbraw/zinc/72/77/36/566727736.db2.gz AECLKRJDJSLDER-UHFFFAOYSA-N 0 1 399.720 3.485 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1c(Cl)cccc1Cl ZINC000426757931 566727877 /nfs/dbraw/zinc/72/78/77/566727877.db2.gz QSFFRRVFHYSMHS-MRXNPFEDSA-N 0 1 377.231 3.490 20 0 GGADMN CCN1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C[C@H]1C ZINC000677177805 566728413 /nfs/dbraw/zinc/72/84/13/566728413.db2.gz WJCDMSQIMSSDCK-WBVHZDCISA-N 0 1 397.357 3.197 20 0 GGADMN CN1CC=C(CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000468768314 566728592 /nfs/dbraw/zinc/72/85/92/566728592.db2.gz ATFLFKYPGIJHRM-UHFFFAOYSA-N 0 1 384.929 3.059 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CCC[C@H]2F)cc1 ZINC000561684505 566728795 /nfs/dbraw/zinc/72/87/95/566728795.db2.gz IYIZSKTYCSWUCJ-KGLIPLIRSA-N 0 1 382.482 3.478 20 0 GGADMN C[C@@](NCCOc1cccc(Br)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000426774408 566729305 /nfs/dbraw/zinc/72/93/05/566729305.db2.gz UPKWZTBIXYFFAY-KRWDZBQOSA-N 0 1 397.700 3.472 20 0 GGADMN CCN1CCN(C(=O)CCSc2ncnc3sc(C)c(C)c32)C[C@H]1C ZINC000677197872 566729954 /nfs/dbraw/zinc/72/99/54/566729954.db2.gz XJUBHPYEFCLBHN-GFCCVEGCSA-N 0 1 378.567 3.343 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000541526913 566730291 /nfs/dbraw/zinc/73/02/91/566730291.db2.gz LGGPYHVBNYYAMD-UHFFFAOYSA-N 0 1 394.221 3.349 20 0 GGADMN CC1CCN(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000515736452 566730899 /nfs/dbraw/zinc/73/08/99/566730899.db2.gz IUORSWYHQCAPAT-UHFFFAOYSA-N 0 1 384.851 3.369 20 0 GGADMN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c(Br)c1O ZINC000426812184 566730901 /nfs/dbraw/zinc/73/09/01/566730901.db2.gz PXHNRADBHKMHRI-AWEZNQCLSA-N 0 1 384.201 3.218 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000515737122 566731138 /nfs/dbraw/zinc/73/11/38/566731138.db2.gz JOIMYYQGPHJTRY-OCCSQVGLSA-N 0 1 389.359 3.156 20 0 GGADMN CCCc1ccc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1 ZINC000561694724 566731200 /nfs/dbraw/zinc/73/12/00/566731200.db2.gz XFGLNXXPACBXCE-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(OC)c(OC)cc2Br)C[C@@H]1C ZINC000677200339 566731380 /nfs/dbraw/zinc/73/13/80/566731380.db2.gz JHGMQUMQTUGWFG-NSHDSACASA-N 0 1 386.290 3.024 20 0 GGADMN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000561695797 566731382 /nfs/dbraw/zinc/73/13/82/566731382.db2.gz RMVJDOPQNQVCJY-UHFFFAOYSA-N 0 1 382.869 3.241 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C[C@@H]1C ZINC000677201212 566731406 /nfs/dbraw/zinc/73/14/06/566731406.db2.gz FPVFXAHAPFYLNZ-AWEZNQCLSA-N 0 1 382.961 3.451 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000515758887 566732097 /nfs/dbraw/zinc/73/20/97/566732097.db2.gz UIUOMYQXQDXNSQ-BETUJISGSA-N 0 1 378.460 3.140 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000515758887 566732105 /nfs/dbraw/zinc/73/21/05/566732105.db2.gz UIUOMYQXQDXNSQ-BETUJISGSA-N 0 1 378.460 3.140 20 0 GGADMN CSCC[C@@H](C)N(C)c1nc(C[NH+](C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000580895062 566732301 /nfs/dbraw/zinc/73/23/01/566732301.db2.gz PSAIMWKSTYYXIS-SNVBAGLBSA-N 0 1 382.555 3.337 20 0 GGADMN O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654406531 566732237 /nfs/dbraw/zinc/73/22/37/566732237.db2.gz ZXLFZYSOWGNQJK-CYBMUJFWSA-N 0 1 384.267 3.005 20 0 GGADMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ncc(Br)cc2F)c1 ZINC000630453496 566732394 /nfs/dbraw/zinc/73/23/94/566732394.db2.gz QFNYPJPYQKTCDX-AWEZNQCLSA-N 0 1 383.217 3.297 20 0 GGADMN Cc1cc(N2CCN([C@@H]3CCOC3)CC2)c2cc(Br)cc(F)c2n1 ZINC000677237850 566732382 /nfs/dbraw/zinc/73/23/82/566732382.db2.gz LUBOZFWMVJPATD-CQSZACIVSA-N 0 1 394.288 3.356 20 0 GGADMN CC(C)(C)CN(CCO)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000608756784 566733184 /nfs/dbraw/zinc/73/31/84/566733184.db2.gz GXWQTIUCNHBQGY-UHFFFAOYSA-N 0 1 379.245 3.006 20 0 GGADMN Fc1cc2nc(N3CCN([C@@H]4CCOC4)CC3)ccc2cc1Br ZINC000677238402 566733404 /nfs/dbraw/zinc/73/34/04/566733404.db2.gz VDGNKHROMKKTND-CYBMUJFWSA-N 0 1 380.261 3.047 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CNCc1ccc(OC(F)F)c(Br)c1 ZINC000541554284 566733648 /nfs/dbraw/zinc/73/36/48/566733648.db2.gz BLRLEPVKXGZKLB-LLVKDONJSA-N 0 1 398.269 3.107 20 0 GGADMN CO[C@H]1CN(Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C[C@@H]1OC ZINC000488554092 566733635 /nfs/dbraw/zinc/73/36/35/566733635.db2.gz FOFSFOUBIYDCLX-ROUUACIJSA-N 0 1 394.313 3.097 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N(C)Cc3ccc(Br)o3)c(=O)c2c1 ZINC000541559269 566733773 /nfs/dbraw/zinc/73/37/73/566733773.db2.gz ZFRBWMPQDMEUSJ-UHFFFAOYSA-N 0 1 375.222 3.464 20 0 GGADMN CCOc1cccc(CN(CCO)C(=O)c2cccc(Br)c2O)c1 ZINC000654471163 566734067 /nfs/dbraw/zinc/73/40/67/566734067.db2.gz IWOCGFCOMHAWBZ-UHFFFAOYSA-N 0 1 394.265 3.188 20 0 GGADMN O=C(N[C@H]1CSc2ccc(Br)cc21)N1CCN(CC2CC2)CC1 ZINC000426850809 566734650 /nfs/dbraw/zinc/73/46/50/566734650.db2.gz KJBLXLMRCNFCDY-HNNXBMFYSA-N 0 1 396.354 3.333 20 0 GGADMN FC(F)CN1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000677245601 566735144 /nfs/dbraw/zinc/73/51/44/566735144.db2.gz NTWPJFYHMUHRMJ-UHFFFAOYSA-N 0 1 390.265 3.393 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000541578885 566735315 /nfs/dbraw/zinc/73/53/15/566735315.db2.gz WLGDAXVEWDEHHB-BBRMVZONSA-N 0 1 381.822 3.023 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCNC(C)(C)C1 ZINC000515847725 566735577 /nfs/dbraw/zinc/73/55/77/566735577.db2.gz GUEQEVUCPJOJKK-UHFFFAOYSA-N 0 1 391.313 3.076 20 0 GGADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000515847494 566736046 /nfs/dbraw/zinc/73/60/46/566736046.db2.gz SNCANPIAJRQCPM-QGZVFWFLSA-N 0 1 388.339 3.492 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000515847494 566736055 /nfs/dbraw/zinc/73/60/55/566736055.db2.gz SNCANPIAJRQCPM-QGZVFWFLSA-N 0 1 388.339 3.492 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc(I)cc1 ZINC000541585932 566736535 /nfs/dbraw/zinc/73/65/35/566736535.db2.gz JATIOEWOFPXJLF-UHFFFAOYSA-N 0 1 390.184 3.329 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)CCCc2ccc(OC)cc2)c1Br ZINC000468851126 566737382 /nfs/dbraw/zinc/73/73/82/566737382.db2.gz DZYUWPGUWKLVOA-UHFFFAOYSA-N 0 1 380.286 3.448 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1Br ZINC000468851060 566737426 /nfs/dbraw/zinc/73/74/26/566737426.db2.gz FMXNZBFUBUTVTQ-AWEZNQCLSA-N 0 1 392.297 3.208 20 0 GGADMN C[C@@H]1CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)[C@H](C)CN1C ZINC000426913101 566739015 /nfs/dbraw/zinc/73/90/15/566739015.db2.gz BMHWQFJRHPZWLH-ZIAGYGMSSA-N 0 1 377.941 3.481 20 0 GGADMN OCC[C@H](NC[C@H](O)CCc1ccccc1)c1ccccc1Br ZINC000541630014 566739490 /nfs/dbraw/zinc/73/94/90/566739490.db2.gz STROUAYQBBIYBI-APWZRJJASA-N 0 1 378.310 3.456 20 0 GGADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000468877160 566740227 /nfs/dbraw/zinc/74/02/27/566740227.db2.gz HDIFLRVVRRUDCA-UHFFFAOYSA-N 0 1 378.837 3.381 20 0 GGADMN C[C@@H](NCC1(CO)COC1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000541640712 566740287 /nfs/dbraw/zinc/74/02/87/566740287.db2.gz ZRSWBMYBQHUHBZ-LLVKDONJSA-N 0 1 383.311 3.232 20 0 GGADMN COC(=O)c1ccc(CN(C)CCn2cc(Br)cn2)cc1Cl ZINC000451036438 566740969 /nfs/dbraw/zinc/74/09/69/566740969.db2.gz KSJPPKAGAAZSEY-UHFFFAOYSA-N 0 1 386.677 3.218 20 0 GGADMN C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000426980818 566741111 /nfs/dbraw/zinc/74/11/11/566741111.db2.gz BQDZTKWPIOXLAS-IFXJQAMLSA-N 0 1 378.925 3.258 20 0 GGADMN C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000426980817 566741223 /nfs/dbraw/zinc/74/12/23/566741223.db2.gz BQDZTKWPIOXLAS-AUUYWEPGSA-N 0 1 378.925 3.258 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000427014860 566742110 /nfs/dbraw/zinc/74/21/10/566742110.db2.gz IXNCSBDKSYEPFW-UHFFFAOYSA-N 0 1 396.285 3.425 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)c1ccsc1 ZINC000468910442 566743029 /nfs/dbraw/zinc/74/30/29/566743029.db2.gz KMTVTEKTXGEFLP-CYBMUJFWSA-N 0 1 391.923 3.316 20 0 GGADMN CCN1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@@H]1C ZINC000677375280 566743811 /nfs/dbraw/zinc/74/38/11/566743811.db2.gz FMWQLBVZUULBFC-ZDUSSCGKSA-N 0 1 392.301 3.193 20 0 GGADMN O=S(=O)(C[C@H]1CCCCC1(F)F)NCC1(N2CCSCC2)CCCC1 ZINC000451051327 566743981 /nfs/dbraw/zinc/74/39/81/566743981.db2.gz UTDVLGWDHLINJG-OAHLLOKOSA-N 0 1 396.569 3.093 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Br)ccc2NC2CC2)[nH]1 ZINC000468925358 566744275 /nfs/dbraw/zinc/74/42/75/566744275.db2.gz LGANZXILELWGAW-UHFFFAOYSA-N 0 1 382.287 3.181 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Br)ccc2NC2CC2)n1 ZINC000468925358 566744280 /nfs/dbraw/zinc/74/42/80/566744280.db2.gz LGANZXILELWGAW-UHFFFAOYSA-N 0 1 382.287 3.181 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000427079826 566745102 /nfs/dbraw/zinc/74/51/02/566745102.db2.gz DGCFAEPHRFVUBX-JLZZUVOBSA-N 0 1 381.314 3.268 20 0 GGADMN O=S(=O)(N[C@H]1CCC(F)(F)C1)c1cc(F)c(Br)cc1F ZINC000677421145 566745240 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COCc1cc(NS(=O)(=O)c2cccc(C)c2Cl)cc(C(=O)OC)c1 ZINC000427299851 566764853 /nfs/dbraw/zinc/76/48/53/566764853.db2.gz QYLQSZFOYKGQRF-UHFFFAOYSA-N 0 1 383.853 3.382 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CC1CC(F)(F)C1 ZINC000451129556 566764893 /nfs/dbraw/zinc/76/48/93/566764893.db2.gz JGUGQWCXFKWLLK-UHFFFAOYSA-N 0 1 380.888 3.079 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1sccc1Cl ZINC000451131435 566764942 /nfs/dbraw/zinc/76/49/42/566764942.db2.gz QZRZGSQVSVQGLJ-UHFFFAOYSA-N 0 1 376.906 3.293 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCCCc2cccc(Br)c2)n[nH]1 ZINC000677829823 566765287 /nfs/dbraw/zinc/76/52/87/566765287.db2.gz DEGQHBUOGAFSFB-NSHDSACASA-N 0 1 380.290 3.123 20 0 GGADMN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1csc(=NC2CC2)[nH]1 ZINC000469154249 566765404 /nfs/dbraw/zinc/76/54/04/566765404.db2.gz YHMRILDDRXXJFP-UHFFFAOYSA-N 0 1 391.294 3.313 20 0 GGADMN COc1ccc(C(=O)CSc2ccc(Br)cn2)c2c1C(=O)CO2 ZINC000581303384 566765917 /nfs/dbraw/zinc/76/59/17/566765917.db2.gz WRZZOMNUPMDSBC-UHFFFAOYSA-N 0 1 394.246 3.403 20 0 GGADMN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1CC(=O)NC(=O)NCc1cccs1 ZINC000451149075 566765876 /nfs/dbraw/zinc/76/58/76/566765876.db2.gz RZWHILCFJOQOOR-QJPTWQEYSA-N 0 1 377.432 3.125 20 0 GGADMN COC(=O)C1(CS(=O)(=O)Nc2ccc(SC)cc2OC)CCCCC1 ZINC000427317853 566766493 /nfs/dbraw/zinc/76/64/93/566766493.db2.gz YZSBAAJTYRZSNF-UHFFFAOYSA-N 0 1 387.523 3.282 20 0 GGADMN Ic1cnc(NC[C@@H](c2ccco2)N2CCCCC2)nc1 ZINC000609494840 566766648 /nfs/dbraw/zinc/76/66/48/566766648.db2.gz LTOSGSVABIMEDB-ZDUSSCGKSA-N 0 1 398.248 3.313 20 0 GGADMN CCN1C[C@H](C)N(C(=O)CCc2ccc(Br)cc2OC)C[C@H]1C ZINC000541997097 566767112 /nfs/dbraw/zinc/76/71/12/566767112.db2.gz VCSZVJPQPFLMKQ-KGLIPLIRSA-N 0 1 383.330 3.331 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)c1 ZINC000542003460 566767389 /nfs/dbraw/zinc/76/73/89/566767389.db2.gz YIFKXUXNATVVRE-UHFFFAOYSA-N 0 1 386.832 3.133 20 0 GGADMN CCOC(=O)c1cc(COC)cc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000427329826 566767718 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Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000677957316 566770468 /nfs/dbraw/zinc/77/04/68/566770468.db2.gz JOHIAGFDEUPHRU-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccccc2-n2cncn2)c1 ZINC000677957536 566771075 /nfs/dbraw/zinc/77/10/75/566771075.db2.gz LFDBHQQOAFACGA-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCc2c1cccc2O)c1cccc(Br)c1 ZINC000451177180 566771516 /nfs/dbraw/zinc/77/15/16/566771516.db2.gz GYNCFRVWTJATPT-MRXNPFEDSA-N 0 1 396.306 3.206 20 0 GGADMN C[C@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000631042458 566771899 /nfs/dbraw/zinc/77/18/99/566771899.db2.gz JCNCTCZUXGIVDP-JTQLQIEISA-N 0 1 390.839 3.440 20 0 GGADMN C[C@](N)(C(=O)N1CCOc2ccc(F)cc2C1)c1ccc(Br)cc1 ZINC000581368696 566772024 /nfs/dbraw/zinc/77/20/24/566772024.db2.gz XUENELRWAIVXDW-GOSISDBHSA-N 0 1 393.256 3.183 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@]1(C)OCCc2sccc21)c1cccs1 ZINC000562226716 566772072 /nfs/dbraw/zinc/77/20/72/566772072.db2.gz BVBSHMFUTWZION-RDTXWAMCSA-N 0 1 379.551 3.200 20 0 GGADMN O=c1[nH]c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)c2[nH]1 ZINC000562233539 566772150 /nfs/dbraw/zinc/77/21/50/566772150.db2.gz DVLVDGPBOVPCSB-UHFFFAOYSA-N 0 1 375.303 3.227 20 0 GGADMN C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc([S@](C)=O)cc1 ZINC000542046639 566772276 /nfs/dbraw/zinc/77/22/76/566772276.db2.gz IZHLVLOWZLIESL-YYUOZPCZSA-N 0 1 384.954 3.448 20 0 GGADMN COCC1(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000489152050 566772892 /nfs/dbraw/zinc/77/28/92/566772892.db2.gz ITQLELFJASVNQN-UHFFFAOYSA-N 0 1 384.454 3.053 20 0 GGADMN CC(C)COc1cccc(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631050476 566773552 /nfs/dbraw/zinc/77/35/52/566773552.db2.gz FZSDMDTZSOXEPL-UHFFFAOYSA-N 0 1 382.913 3.312 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)cnc2N(C)C)n[nH]1 ZINC000489176357 566774132 /nfs/dbraw/zinc/77/41/32/566774132.db2.gz KACNGUXRDUXZSV-VHSXEESVSA-N 0 1 395.305 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2[nH]nc(C3CC3)c2Br)n[nH]1 ZINC000489189737 566774323 /nfs/dbraw/zinc/77/43/23/566774323.db2.gz KZKKMXSFEWVITJ-YUMQZZPRSA-N 0 1 381.278 3.172 20 0 GGADMN Fc1cccc([C@@H](CNCc2ccncc2Br)N2CCOCC2)c1 ZINC000631051579 566774442 /nfs/dbraw/zinc/77/44/42/566774442.db2.gz BIVRESRBJAFLQQ-GOSISDBHSA-N 0 1 394.288 3.146 20 0 GGADMN CC(C)(C)Oc1ccc(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000631051946 566774768 /nfs/dbraw/zinc/77/47/68/566774768.db2.gz LBHKPYAGZCQXFM-UHFFFAOYSA-N 0 1 382.913 3.455 20 0 GGADMN O=S(=O)(N[C@@H]1CCCN(CCCc2ccsc2)C1)c1cccc(F)c1 ZINC000542102635 566774900 /nfs/dbraw/zinc/77/49/00/566774900.db2.gz NIFAUJLVHKVADZ-QGZVFWFLSA-N 0 1 382.526 3.263 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)COc2ccccc2Br)n[nH]1 ZINC000489217139 566775247 /nfs/dbraw/zinc/77/52/47/566775247.db2.gz KMAFNHQZACXOSC-GHMZBOCLSA-N 0 1 381.274 3.337 20 0 GGADMN CN(CCCc1cccc(F)c1)CC(=O)Nc1ccc(Br)cn1 ZINC000489197990 566775578 /nfs/dbraw/zinc/77/55/78/566775578.db2.gz OMYSLTFQMYEDOW-UHFFFAOYSA-N 0 1 380.261 3.486 20 0 GGADMN CCN(CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000489198090 566775813 /nfs/dbraw/zinc/77/58/13/566775813.db2.gz UFMHSVXZSGWZDV-MRXNPFEDSA-N 0 1 384.307 3.407 20 0 GGADMN COc1ccccc1CN(CCO)CCOc1ccc(Br)cc1 ZINC000489199546 566776116 /nfs/dbraw/zinc/77/61/16/566776116.db2.gz VKGDZUFZVASKBM-UHFFFAOYSA-N 0 1 380.282 3.331 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)COc2cccc(Br)c2)n[nH]1 ZINC000489224105 566776135 /nfs/dbraw/zinc/77/61/35/566776135.db2.gz YBAPLFYDMFUUQN-GHMZBOCLSA-N 0 1 381.274 3.337 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000581429348 566776829 /nfs/dbraw/zinc/77/68/29/566776829.db2.gz IKKXCSBZUPDEOG-MRXNPFEDSA-N 0 1 387.307 3.431 20 0 GGADMN COC(=O)[C@H]1CC12CCN([C@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000609617293 566777136 /nfs/dbraw/zinc/77/71/36/566777136.db2.gz BWNZXKJWLGMYJZ-IUODEOHRSA-N 0 1 395.297 3.051 20 0 GGADMN O=C(CCc1ccccc1)N1CC[C@H](NCc2ccncc2Br)C1 ZINC000631088683 566777966 /nfs/dbraw/zinc/77/79/66/566777966.db2.gz QDDQYTCBDOHVAR-KRWDZBQOSA-N 0 1 388.309 3.167 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)c(C)nc2OC)n[nH]1 ZINC000489269091 566778259 /nfs/dbraw/zinc/77/82/59/566778259.db2.gz OKGBCGZYQDNBSE-WPRPVWTQSA-N 0 1 396.289 3.284 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1cccc(Br)c1 ZINC000655103245 566778197 /nfs/dbraw/zinc/77/81/97/566778197.db2.gz AUNYFETZVSHJSK-UHFFFAOYSA-N 0 1 376.176 3.472 20 0 GGADMN Fc1ccc(Br)cc1-c1n[n-]c(=NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000562297885 566778527 /nfs/dbraw/zinc/77/85/27/566778527.db2.gz MKKPTVSUDURMQT-JTQLQIEISA-N 0 1 397.317 3.425 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)c(C)nc2OC)n[nH]1 ZINC000489269088 566778869 /nfs/dbraw/zinc/77/88/69/566778869.db2.gz OKGBCGZYQDNBSE-PSASIEDQSA-N 0 1 396.289 3.284 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000542168488 566779467 /nfs/dbraw/zinc/77/94/67/566779467.db2.gz VCUXSSBAKBJSEB-OAHLLOKOSA-N 0 1 382.957 3.391 20 0 GGADMN O=S1(=O)CCO[C@H](CN[C@H](Cc2ccccc2Cl)c2ccsc2)C1 ZINC000581470621 566779643 /nfs/dbraw/zinc/77/96/43/566779643.db2.gz NAVLHXMHDWLTEA-NVXWUHKLSA-N 0 1 385.938 3.089 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2cc(Br)ccc2C1 ZINC000562312069 566779722 /nfs/dbraw/zinc/77/97/22/566779722.db2.gz OGMITUFYRSOHMT-HNNXBMFYSA-N 0 1 375.270 3.318 20 0 GGADMN Cc1cccnc1C(C)(C)CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000581461604 566779879 /nfs/dbraw/zinc/77/98/79/566779879.db2.gz YXFKBPISLUQWSW-OAHLLOKOSA-N 0 1 376.298 3.246 20 0 GGADMN CC(C)N(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(Br)cc1 ZINC000516745158 566779966 /nfs/dbraw/zinc/77/99/66/566779966.db2.gz NWJPRONKTBPVDH-GASCZTMLSA-N 0 1 383.330 3.295 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCc2cc(Br)ccc2C1 ZINC000562312070 566780299 /nfs/dbraw/zinc/78/02/99/566780299.db2.gz OGMITUFYRSOHMT-OAHLLOKOSA-N 0 1 375.270 3.318 20 0 GGADMN CC[C@@](C)(NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1nccs1 ZINC000451234083 566780540 /nfs/dbraw/zinc/78/05/40/566780540.db2.gz JUPGHNIKKOLVAQ-CYBMUJFWSA-N 0 1 380.413 3.471 20 0 GGADMN CC(C)[C@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)CCN1C ZINC000489320010 566781044 /nfs/dbraw/zinc/78/10/44/566781044.db2.gz KGEWRONQMPINIS-OAHLLOKOSA-N 0 1 379.551 3.435 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000542177800 566781458 /nfs/dbraw/zinc/78/14/58/566781458.db2.gz YGJZXBQQTZAIGW-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN Cn1cc([C@H]2OCCC[C@@H]2NCc2ncc(Br)cc2Cl)cn1 ZINC000631116284 566781578 /nfs/dbraw/zinc/78/15/78/566781578.db2.gz IMEKWMOXZGPCGU-DZGCQCFKSA-N 0 1 385.693 3.241 20 0 GGADMN Cc1ccc(I)cc1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489319842 566781661 /nfs/dbraw/zinc/78/16/61/566781661.db2.gz XVJKFWNFSKIJHF-HNNXBMFYSA-N 0 1 386.277 3.012 20 0 GGADMN COc1c(NS(=O)(=O)c2ccc(Cl)cc2C)cc(Cl)cc1C(N)=O ZINC000581479544 566781681 /nfs/dbraw/zinc/78/16/81/566781681.db2.gz IKHGUIXYXYUYRR-UHFFFAOYSA-N 0 1 389.260 3.210 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000469316952 566781983 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COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000581494659 566783419 /nfs/dbraw/zinc/78/34/19/566783419.db2.gz WTUWPJHJJQVSSI-OAHLLOKOSA-N 0 1 376.678 3.416 20 0 GGADMN O=C(NCCN1CCC1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000469342657 566783331 /nfs/dbraw/zinc/78/33/31/566783331.db2.gz SSDRVJIDFNZXCZ-UHFFFAOYSA-N 0 1 375.822 3.395 20 0 GGADMN CS(=O)(=O)Nc1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000678126006 566783350 /nfs/dbraw/zinc/78/33/50/566783350.db2.gz BIEGAPSEPYWNGV-KRWDZBQOSA-N 0 1 380.535 3.301 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000427620259 566783387 /nfs/dbraw/zinc/78/33/87/566783387.db2.gz FXFUWJAGSBJOAH-UFBFGSQYSA-N 0 1 379.791 3.319 20 0 GGADMN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccncc2Br)s1 ZINC000631135686 566783430 /nfs/dbraw/zinc/78/34/30/566783430.db2.gz OKDPIUOEZKGZQD-UWVGGRQHSA-N 0 1 398.330 3.011 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)c1 ZINC000427638643 566784325 /nfs/dbraw/zinc/78/43/25/566784325.db2.gz 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COC(=O)[C@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000427814281 566799598 /nfs/dbraw/zinc/79/95/98/566799598.db2.gz VSNRBGNEMKZMOA-CYBMUJFWSA-N 0 1 394.301 3.389 20 0 GGADMN CC(=O)N[C@H](C)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000427810487 566799705 /nfs/dbraw/zinc/79/97/05/566799705.db2.gz FWRDASVKJVWBIR-SNVBAGLBSA-N 0 1 380.901 3.168 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H]2CCCc3ccc(O)cc32)c(C)s1 ZINC000517008800 566799896 /nfs/dbraw/zinc/79/98/96/566799896.db2.gz ZYIFVCRRUPJMAY-KRWDZBQOSA-N 0 1 380.535 3.016 20 0 GGADMN C[C@H](N[C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)Nc1ncccn1 ZINC000581703095 566799937 /nfs/dbraw/zinc/79/99/37/566799937.db2.gz JUZHXGACBPKMAW-NHYWBVRUSA-N 0 1 389.297 3.479 20 0 GGADMN Cc1nnc(SCC(=O)N(C)Cc2cc(Br)ccc2Cl)[nH]1 ZINC000427810172 566799916 /nfs/dbraw/zinc/79/99/16/566799916.db2.gz YHINACIYEVAFPS-UHFFFAOYSA-N 0 1 389.706 3.280 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(C)Cc2cc(Br)ccc2Cl)n1 ZINC000427810172 566799921 /nfs/dbraw/zinc/79/99/21/566799921.db2.gz YHINACIYEVAFPS-UHFFFAOYSA-N 0 1 389.706 3.280 20 0 GGADMN CC(=O)N[C@@H](C)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000427810486 566800126 /nfs/dbraw/zinc/80/01/26/566800126.db2.gz FWRDASVKJVWBIR-JTQLQIEISA-N 0 1 380.901 3.168 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451343467 566800471 /nfs/dbraw/zinc/80/04/71/566800471.db2.gz IRXBAEYUZJTELY-QMMMGPOBSA-N 0 1 378.372 3.098 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 ZINC000655470048 566801260 /nfs/dbraw/zinc/80/12/60/566801260.db2.gz HPFXZTDJEUCNMV-UHFFFAOYSA-N 0 1 379.551 3.223 20 0 GGADMN CC(C)(C)n1nnc(CSc2nc(-c3ccccc3Br)n[nH]2)n1 ZINC000655463491 566801608 /nfs/dbraw/zinc/80/16/08/566801608.db2.gz PNDIWINMDDZUNF-UHFFFAOYSA-N 0 1 394.302 3.268 20 0 GGADMN CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451357396 566801687 /nfs/dbraw/zinc/80/16/87/566801687.db2.gz GRHHUPBFOSDFAD-FZMZJTMJSA-N 0 1 381.416 3.283 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000542457578 566802299 /nfs/dbraw/zinc/80/22/99/566802299.db2.gz QFIRGWDPLJLBMZ-INIZCTEOSA-N 0 1 383.330 3.381 20 0 GGADMN CN(CC(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@@H]1CCSC1 ZINC000489665175 566802725 /nfs/dbraw/zinc/80/27/25/566802725.db2.gz IFCPRFYJUTYUAX-DGCLKSJQSA-N 0 1 387.368 3.149 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000655477412 566802847 /nfs/dbraw/zinc/80/28/47/566802847.db2.gz IWPDKNPJYRNWDM-XYPYZODXSA-N 0 1 396.260 3.446 20 0 GGADMN Cc1[nH]c2nc(S(=O)(=O)C[C@@H]3CCCC3(F)F)nc-2cc1Br ZINC000562563751 566802876 /nfs/dbraw/zinc/80/28/76/566802876.db2.gz HNQXEISPCCKMIT-QMMMGPOBSA-N 0 1 394.241 3.238 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C=C[C@@H]4CCOC4)n3)n2)c1 ZINC000562563111 566802988 /nfs/dbraw/zinc/80/29/88/566802988.db2.gz IUHNBQKHGRUQKK-UMCURTJPSA-N 0 1 388.225 3.334 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccc3c(Cl)ccnc32)n[nH]1 ZINC000451359254 566803749 /nfs/dbraw/zinc/80/37/49/566803749.db2.gz WBMZYUKNCJWNTD-JTQLQIEISA-N 0 1 379.873 3.169 20 0 GGADMN C[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC2(CCOCC2)O1 ZINC000517070788 566804169 /nfs/dbraw/zinc/80/41/69/566804169.db2.gz BTWHRNXRCVKWGQ-CYBMUJFWSA-N 0 1 388.277 3.237 20 0 GGADMN C[C@](N)(C(=O)N1CCC[C@H](OC2CCC2)C1)c1ccc(Br)cc1 ZINC000655494419 566805306 /nfs/dbraw/zinc/80/53/06/566805306.db2.gz BJLZPVUWNJZWIT-FUHWJXTLSA-N 0 1 381.314 3.183 20 0 GGADMN O=c1ccc(Br)cn1CCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000581768110 566805735 /nfs/dbraw/zinc/80/57/35/566805735.db2.gz FIRBPSCDAKJAED-MRXNPFEDSA-N 0 1 379.302 3.245 20 0 GGADMN O=S(=O)(CCC1CCCC1)NCc1nc2cccc(Br)c2[nH]1 ZINC000581767594 566805901 /nfs/dbraw/zinc/80/59/01/566805901.db2.gz UMSZJLNPJFSTRJ-UHFFFAOYSA-N 0 1 386.315 3.325 20 0 GGADMN COc1ccc([C@H](C)NC[C@@H]2CCCCS2(=O)=O)cc1Br ZINC000542498595 566806693 /nfs/dbraw/zinc/80/66/93/566806693.db2.gz IYDHPDUGSYYTOR-AAEUAGOBSA-N 0 1 376.316 3.076 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000489732893 566807178 /nfs/dbraw/zinc/80/71/78/566807178.db2.gz IOFHFJKTROPOCX-AWEZNQCLSA-N 0 1 382.913 3.147 20 0 GGADMN C[C@@H](Cc1cccs1)N(Cc1nc(=O)n(C)[nH]1)Cc1ccc(Cl)cc1 ZINC000542505941 566807330 /nfs/dbraw/zinc/80/73/30/566807330.db2.gz DUFGCFDNULTLAO-ZDUSSCGKSA-N 0 1 376.913 3.457 20 0 GGADMN Cc1c([C@@H](C)N[C@H]2CCCC[C@@H]2O)nnn1-c1cccc(Br)c1 ZINC000427980941 566807576 /nfs/dbraw/zinc/80/75/76/566807576.db2.gz BIYZKQMSQXYKSJ-RLCCDNCMSA-N 0 1 379.302 3.292 20 0 GGADMN Cc1c(NC(=O)c2ccc(Br)c(O)c2)cccc1N1CCNC1=O ZINC000427987065 566807953 /nfs/dbraw/zinc/80/79/53/566807953.db2.gz IZTMADKFGWZJRB-UHFFFAOYSA-N 0 1 390.237 3.245 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1cc(C)[nH]n1 ZINC000678633500 566808614 /nfs/dbraw/zinc/80/86/14/566808614.db2.gz LXNCKWKHGSXVOC-NHYWBVRUSA-N 0 1 381.274 3.056 20 0 GGADMN O[C@H](COc1ccc(Cl)c(Cl)c1)CN1CCCN(CC(F)F)CC1 ZINC000678632504 566808795 /nfs/dbraw/zinc/80/87/95/566808795.db2.gz OARSQZTWFWLMPS-LBPRGKRZSA-N 0 1 383.266 3.006 20 0 GGADMN Cc1cnc([C@@H](C)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)s1 ZINC000451391297 566809309 /nfs/dbraw/zinc/80/93/09/566809309.db2.gz CHCPWIUZGKHDPO-QMMMGPOBSA-N 0 1 380.413 3.258 20 0 GGADMN C[C@H](C(=O)Nc1cccc(I)c1)N1CCC(CF)CC1 ZINC000451388552 566809326 /nfs/dbraw/zinc/80/93/26/566809326.db2.gz LHFLJUZZEJAEMA-LLVKDONJSA-N 0 1 390.240 3.300 20 0 GGADMN O[C@@H](COc1ccc(Cl)c(Cl)c1)CN1CCCN(CC(F)F)CC1 ZINC000678632503 566809317 /nfs/dbraw/zinc/80/93/17/566809317.db2.gz OARSQZTWFWLMPS-GFCCVEGCSA-N 0 1 383.266 3.006 20 0 GGADMN COCCCNC(=O)[C@@H](C)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469733083 566809922 /nfs/dbraw/zinc/80/99/22/566809922.db2.gz HNWOYZKKAYXSJV-QWHCGFSZSA-N 0 1 377.312 3.234 20 0 GGADMN C[C@@H]1C[C@@H](CCN[C@H](C(N)=O)c2ccc(Br)cc2F)C[C@H](C)O1 ZINC000517182124 566810148 /nfs/dbraw/zinc/81/01/48/566810148.db2.gz LEJKZENDOHXROH-BUWBCJGYSA-N 0 1 387.293 3.298 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CC12CCSCC2 ZINC000562645655 566810458 /nfs/dbraw/zinc/81/04/58/566810458.db2.gz ZTRXEFDSNPWSLM-JTQLQIEISA-N 0 1 380.311 3.475 20 0 GGADMN CC[C@H](CN(C)CCN1CCCS1(=O)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000469751607 566811124 /nfs/dbraw/zinc/81/11/24/566811124.db2.gz JDXYHTVSBPJCLZ-CYBMUJFWSA-N 0 1 395.352 3.118 20 0 GGADMN C[C@H](CN(C)[C@H](C)C(=O)NC[C@H]1CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739228 566811152 /nfs/dbraw/zinc/81/11/52/566811152.db2.gz GTCNTJLYZUUTCE-UMVBOHGHSA-N 0 1 389.323 3.376 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000562673261 566811937 /nfs/dbraw/zinc/81/19/37/566811937.db2.gz INRJWECIYJSRPT-GFCCVEGCSA-N 0 1 394.248 3.070 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CNC(=O)CNC(C)(C)c1cccs1 ZINC000542575541 566812169 /nfs/dbraw/zinc/81/21/69/566812169.db2.gz LKTCUDMRVGFCQG-UHFFFAOYSA-N 0 1 379.913 3.290 20 0 GGADMN COc1cccc(O[C@@H](C)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000581901833 566813270 /nfs/dbraw/zinc/81/32/70/566813270.db2.gz PGCWHHXNTDMLCC-JTQLQIEISA-N 0 1 391.823 3.373 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000428063862 566813393 /nfs/dbraw/zinc/81/33/93/566813393.db2.gz ZGGTUVHEEGKDEI-DOTOQJQBSA-N 0 1 380.330 3.018 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC000610193878 566813458 /nfs/dbraw/zinc/81/34/58/566813458.db2.gz WAHNQLQYDFQRHS-UHFFFAOYSA-N 0 1 379.743 3.345 20 0 GGADMN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000678719368 566813663 /nfs/dbraw/zinc/81/36/63/566813663.db2.gz ISOADWWZTFUNCS-UHFFFAOYSA-N 0 1 381.519 3.480 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1F ZINC000451414333 566816131 /nfs/dbraw/zinc/81/61/31/566816131.db2.gz ICZMAGCUOASDTL-MAZHCROVSA-N 0 1 385.277 3.152 20 0 GGADMN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc2nc[nH]c21 ZINC000428076029 566816224 /nfs/dbraw/zinc/81/62/24/566816224.db2.gz MDTGFJMZLRTZBD-ZDUSSCGKSA-N 0 1 385.265 3.334 20 0 GGADMN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1n[nH]c2ccc(Cl)cc21 ZINC000517251196 566816286 /nfs/dbraw/zinc/81/62/86/566816286.db2.gz KGXJPECFVRPZQJ-LLVKDONJSA-N 0 1 376.247 3.273 20 0 GGADMN FC(F)(F)[C@H](CN[C@H]1CCc2ccc(Br)cc21)n1cncn1 ZINC000631689713 566816631 /nfs/dbraw/zinc/81/66/31/566816631.db2.gz DGQSGYKEJMDWQH-STQMWFEESA-N 0 1 375.192 3.421 20 0 GGADMN Cc1c(Br)cccc1CNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000581952420 566817046 /nfs/dbraw/zinc/81/70/46/566817046.db2.gz KGNAPJAKXDUHPE-UHFFFAOYSA-N 0 1 380.290 3.173 20 0 GGADMN CC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1O ZINC000517274146 566818016 /nfs/dbraw/zinc/81/80/16/566818016.db2.gz WURSHXJINPYWFQ-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN Brc1cccc2c1CC[C@@H]2NCc1n[nH]c(C2CCOCC2)n1 ZINC000631695124 566818134 /nfs/dbraw/zinc/81/81/34/566818134.db2.gz YQPKJDFVQPMQLV-HNNXBMFYSA-N 0 1 377.286 3.238 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)NCCCc3cn[nH]c3C)cc2)n1 ZINC000655591623 566818244 /nfs/dbraw/zinc/81/82/44/566818244.db2.gz UFYUBOZTGFXHGP-UHFFFAOYSA-N 0 1 376.507 3.061 20 0 GGADMN Brc1cccc2c1CC[C@H]2NCc1n[nH]c(C2CCOCC2)n1 ZINC000631695125 566818243 /nfs/dbraw/zinc/81/82/43/566818243.db2.gz YQPKJDFVQPMQLV-OAHLLOKOSA-N 0 1 377.286 3.238 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@@H]1C ZINC000469835036 566818431 /nfs/dbraw/zinc/81/84/31/566818431.db2.gz SOUUUBGIFDGHMC-IAQYHMDHSA-N 0 1 379.254 3.488 20 0 GGADMN CSCC[C@H](N[C@H](C)c1ccc(Br)c(F)c1)C(=O)N(C)C ZINC000489938855 566818526 /nfs/dbraw/zinc/81/85/26/566818526.db2.gz ZSFYZABEEMBJPL-YGRLFVJLSA-N 0 1 377.323 3.449 20 0 GGADMN COC[C@@H](N[C@@H](CCSC)C(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000489953083 566819327 /nfs/dbraw/zinc/81/93/27/566819327.db2.gz BDTRHIMNGYJCNP-LSDHHAIUSA-N 0 1 378.460 3.192 20 0 GGADMN C[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000517321083 566819559 /nfs/dbraw/zinc/81/95/59/566819559.db2.gz ROPIHYRZRXHTNV-HLPPOEQASA-N 0 1 375.340 3.456 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)Nc1cc(-n2cccn2)nc(N)n1 ZINC000428143033 566819644 /nfs/dbraw/zinc/81/96/44/566819644.db2.gz UNZQNEFGBGUOAS-SNVBAGLBSA-N 0 1 391.248 3.020 20 0 GGADMN COc1ccc(Br)c([C@@H](CO)N(C)CCCc2ccncc2)c1 ZINC000451452662 566819894 /nfs/dbraw/zinc/81/98/94/566819894.db2.gz FSEKQHQEJLDNSO-GOSISDBHSA-N 0 1 379.298 3.451 20 0 GGADMN O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(Br)c1O ZINC000581975646 566820281 /nfs/dbraw/zinc/82/02/81/566820281.db2.gz PJEJVUDVTRFPHQ-KDOFPFPSSA-N 0 1 376.250 3.051 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2ccc(Br)c3c2OCCC3)CCN1C ZINC000469854984 566820513 /nfs/dbraw/zinc/82/05/13/566820513.db2.gz YTLPTDBQZRXFCR-MRXNPFEDSA-N 0 1 381.314 3.186 20 0 GGADMN O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cccc(Br)c1O ZINC000581975647 566820501 /nfs/dbraw/zinc/82/05/01/566820501.db2.gz PJEJVUDVTRFPHQ-KSSFIOAISA-N 0 1 376.250 3.051 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2sccc2Cl)c1 ZINC000451454449 566820627 /nfs/dbraw/zinc/82/06/27/566820627.db2.gz JCTINQVYGNNGTE-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@@H]3CCN(C(C)C)C3)cc2)n1 ZINC000655606206 566821059 /nfs/dbraw/zinc/82/10/59/566821059.db2.gz LQVVKYIMNBKANM-MRXNPFEDSA-N 0 1 379.551 3.222 20 0 GGADMN O=C(c1[nH]nc2ccc(I)cc21)N1CC[C@H]2CCC[C@@H]21 ZINC000428156266 566821694 /nfs/dbraw/zinc/82/16/94/566821694.db2.gz VBEGOIIAMWNVOB-RNCFNFMXSA-N 0 1 381.217 3.182 20 0 GGADMN O=C(c1[nH]nc2ccc(I)cc21)N1CC[C@@H]2CCC[C@@H]21 ZINC000428156274 566821865 /nfs/dbraw/zinc/82/18/65/566821865.db2.gz VBEGOIIAMWNVOB-ZANVPECISA-N 0 1 381.217 3.182 20 0 GGADMN O=C(c1cccc(Br)c1[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000517367139 566822178 /nfs/dbraw/zinc/82/21/78/566822178.db2.gz AYTRRAVMDOIZHT-UHFFFAOYSA-N 0 1 395.322 3.217 20 0 GGADMN CCn1nnc(C)c1CNc1nccn1Cc1ccc(Br)cc1 ZINC000562781622 566822198 /nfs/dbraw/zinc/82/21/98/566822198.db2.gz GDWKXFAHEDGKHY-UHFFFAOYSA-N 0 1 375.274 3.226 20 0 GGADMN C[C@H]1[C@H](C)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCN1C ZINC000542737759 566822715 /nfs/dbraw/zinc/82/27/15/566822715.db2.gz JWPKFNCYQJKXAE-RYUDHWBXSA-N 0 1 382.295 3.157 20 0 GGADMN CCOC(=O)c1ccc(CNC(=O)c2cccc(Br)c2O)cc1 ZINC000517370998 566822794 /nfs/dbraw/zinc/82/27/94/566822794.db2.gz QVBNYJUWMPSGDA-UHFFFAOYSA-N 0 1 378.222 3.261 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1CC(F)(F)C1 ZINC000490002706 566822980 /nfs/dbraw/zinc/82/29/80/566822980.db2.gz YIRXYASROVSITR-UHFFFAOYSA-N 0 1 388.219 3.104 20 0 GGADMN C[S@](=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000610306201 566823224 /nfs/dbraw/zinc/82/32/24/566823224.db2.gz SKBIRBHZJAIGDN-QFIPXVFZSA-N 0 1 378.251 3.315 20 0 GGADMN O=C(c1cccc(Br)c1Cl)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000517398874 566823381 /nfs/dbraw/zinc/82/33/81/566823381.db2.gz QCCYLBCLFZWDQQ-UHFFFAOYSA-N 0 1 386.633 3.211 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@@H](C)c2ccccc2)sc1Br ZINC000542757139 566823931 /nfs/dbraw/zinc/82/39/31/566823931.db2.gz CSDUZEJBXCVTTP-SECBINFHSA-N 0 1 375.313 3.296 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(OC)c(Br)c(OC)c2)C[C@H]1C ZINC000678898280 566824068 /nfs/dbraw/zinc/82/40/68/566824068.db2.gz NQIUYPROFMHKQK-LLVKDONJSA-N 0 1 386.290 3.024 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccc(Br)o3)o2)[C@@H]2CCCO[C@H]21 ZINC000451480334 566825402 /nfs/dbraw/zinc/82/54/02/566825402.db2.gz OOXCGMNGJBBEQR-CUOATXAZSA-N 0 1 382.258 3.385 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c1 ZINC000582035148 566825511 /nfs/dbraw/zinc/82/55/11/566825511.db2.gz MTJMQXBBTRHCNQ-UHFFFAOYSA-N 0 1 379.825 3.337 20 0 GGADMN O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1Cc2ccccc2CN1 ZINC000490031239 566826202 /nfs/dbraw/zinc/82/62/02/566826202.db2.gz AHHBVEBPMFMTSM-IAGOWNOFSA-N 0 1 387.277 3.103 20 0 GGADMN CN1CCN(c2ccnc(-c3noc(Cc4ccc(Cl)s4)n3)c2)CC1 ZINC000517435283 566827853 /nfs/dbraw/zinc/82/78/53/566827853.db2.gz NLYGLFKWKAQSLG-UHFFFAOYSA-N 0 1 375.885 3.189 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000610388293 566828212 /nfs/dbraw/zinc/82/82/12/566828212.db2.gz VNKCSXRSRIWWFU-SSDOTTSWSA-N 0 1 386.271 3.461 20 0 GGADMN CCCN1CCC(Nc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000562867653 566828253 /nfs/dbraw/zinc/82/82/53/566828253.db2.gz VVMADIFLTOTOOL-UHFFFAOYSA-N 0 1 375.332 3.139 20 0 GGADMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000582091773 566829975 /nfs/dbraw/zinc/82/99/75/566829975.db2.gz JNVPBHFNFDGWIF-UHFFFAOYSA-N 0 1 395.352 3.115 20 0 GGADMN COC(=O)C1(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCCCC1 ZINC000517542568 566830587 /nfs/dbraw/zinc/83/05/87/566830587.db2.gz MUIORXQQFOLZMA-UHFFFAOYSA-N 0 1 381.828 3.163 20 0 GGADMN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1n[nH]c(C(C)C)n1 ZINC000428291286 566831119 /nfs/dbraw/zinc/83/11/19/566831119.db2.gz QKPBHBJTQJAYMW-CQSZACIVSA-N 0 1 381.274 3.037 20 0 GGADMN COC(=O)c1cccc2nc(NCc3cccc(Br)c3OC)[nH]c21 ZINC000428338206 566832079 /nfs/dbraw/zinc/83/20/79/566832079.db2.gz PSBIVWRRDYRAKY-UHFFFAOYSA-N 0 1 390.237 3.155 20 0 GGADMN CCO[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000451523385 566832069 /nfs/dbraw/zinc/83/20/69/566832069.db2.gz JIIALDRWRDITQX-CKEIUWERSA-N 0 1 383.330 3.373 20 0 GGADMN CN1C[C@@H](NCc2cc(Br)ccc2OCc2ccccc2)CC1=O ZINC000517559584 566833005 /nfs/dbraw/zinc/83/30/05/566833005.db2.gz GXJMAIPLLKDBQJ-KRWDZBQOSA-N 0 1 389.293 3.348 20 0 GGADMN C[C@@H]1C[C@H](N[C@H]2CCSc3c(Cl)cccc32)C(=O)N1c1cnn(C)c1 ZINC000679063424 566833337 /nfs/dbraw/zinc/83/33/37/566833337.db2.gz KBFOCAZRPOZDBA-RLCCDNCMSA-N 0 1 376.913 3.394 20 0 GGADMN O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1c(Cl)ccc(F)c1F ZINC000582136095 566833525 /nfs/dbraw/zinc/83/35/25/566833525.db2.gz ACAYIZUVVVBKON-UHFFFAOYSA-N 0 1 383.807 3.282 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000451534712 566833633 /nfs/dbraw/zinc/83/36/33/566833633.db2.gz NICBYMKISXRRFC-SOUVJXGZSA-N 0 1 378.485 3.454 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655670264 566833768 /nfs/dbraw/zinc/83/37/68/566833768.db2.gz XDHZVPRRINYGDP-HZPDHXFCSA-N 0 1 376.444 3.142 20 0 GGADMN CCO[C@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000451535893 566833805 /nfs/dbraw/zinc/83/38/05/566833805.db2.gz ZCVKPJMGTBNMGW-PBHICJAKSA-N 0 1 383.330 3.154 20 0 GGADMN O=S(=O)(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(Cl)ccc1OC(F)F ZINC000655666792 566833806 /nfs/dbraw/zinc/83/38/06/566833806.db2.gz AJNCTLCCEUJVLA-CHWSQXEVSA-N 0 1 394.871 3.237 20 0 GGADMN C[C@@H]1C[C@@H](N[C@@H]2CCSc3c(Cl)cccc32)C(=O)N1c1cnn(C)c1 ZINC000679063411 566834094 /nfs/dbraw/zinc/83/40/94/566834094.db2.gz KBFOCAZRPOZDBA-HFBAOOFYSA-N 0 1 376.913 3.394 20 0 GGADMN CN1C[C@H](N[C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1=O ZINC000490191644 566834468 /nfs/dbraw/zinc/83/44/68/566834468.db2.gz VGYRCYCFLCNGNH-AEFFLSMTSA-N 0 1 377.257 3.498 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655669255 566834459 /nfs/dbraw/zinc/83/44/59/566834459.db2.gz NVGRLYSNVWAXFC-HOTGVXAUSA-N 0 1 376.444 3.142 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655670262 566835001 /nfs/dbraw/zinc/83/50/01/566835001.db2.gz XDHZVPRRINYGDP-CVEARBPZSA-N 0 1 376.444 3.142 20 0 GGADMN CN(CCCN(C)S(=O)(=O)Cc1c(F)cccc1Cl)Cc1ccco1 ZINC000451544487 566835316 /nfs/dbraw/zinc/83/53/16/566835316.db2.gz MVTZWUGGPUNPQR-UHFFFAOYSA-N 0 1 388.892 3.356 20 0 GGADMN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000451543785 566835553 /nfs/dbraw/zinc/83/55/53/566835553.db2.gz CSRLJTBPYFSOBL-UHFFFAOYSA-N 0 1 386.315 3.009 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000679066953 566835634 /nfs/dbraw/zinc/83/56/34/566835634.db2.gz PVCIVZFHJSULIZ-GDLVEWKHSA-N 0 1 395.276 3.166 20 0 GGADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000542909435 566835810 /nfs/dbraw/zinc/83/58/10/566835810.db2.gz LOZGCQYTSLLRKF-COXVUDFISA-N 0 1 383.330 3.109 20 0 GGADMN CCO[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000451539305 566836361 /nfs/dbraw/zinc/83/63/61/566836361.db2.gz JYWLXVIBMUGBTR-XOKHGSTOSA-N 0 1 381.314 3.301 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@@H]1C ZINC000469997721 566837190 /nfs/dbraw/zinc/83/71/90/566837190.db2.gz ABMPPLJFFOEZJE-BXUZGUMPSA-N 0 1 379.254 3.488 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@H]1C ZINC000470007039 566837361 /nfs/dbraw/zinc/83/73/61/566837361.db2.gz XSDRZWFYVQGPPI-FZMZJTMJSA-N 0 1 379.254 3.488 20 0 GGADMN C[S@](=O)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000517638531 566837417 /nfs/dbraw/zinc/83/74/17/566837417.db2.gz YGGGPVSFFLNZON-QHCPKHFHSA-N 0 1 379.381 3.123 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@H]1C ZINC000469997722 566837431 /nfs/dbraw/zinc/83/74/31/566837431.db2.gz ABMPPLJFFOEZJE-FZMZJTMJSA-N 0 1 379.254 3.488 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N(CCO)Cc1cccc(Br)c1 ZINC000490212274 566837551 /nfs/dbraw/zinc/83/75/51/566837551.db2.gz ZBSZVXCAENUSFI-UHFFFAOYSA-N 0 1 397.338 3.207 20 0 GGADMN CC(C)c1nc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)n[nH]1 ZINC000428389002 566837611 /nfs/dbraw/zinc/83/76/11/566837611.db2.gz YBMOAZSLLGRLAW-UHFFFAOYSA-N 0 1 396.308 3.148 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655720945 566837901 /nfs/dbraw/zinc/83/79/01/566837901.db2.gz JPQGAAWLAFYMFU-GXTWGEPZSA-N 0 1 393.329 3.336 20 0 GGADMN CCO[C@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000451550149 566838290 /nfs/dbraw/zinc/83/82/90/566838290.db2.gz WMYZEZJTPKGTOL-DOMZBBRYSA-N 0 1 389.359 3.216 20 0 GGADMN CO[C@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000451556999 566838438 /nfs/dbraw/zinc/83/84/38/566838438.db2.gz NNCXYJKHVDPOBP-HOTGVXAUSA-N 0 1 381.314 3.301 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CCCn2ccnc21 ZINC000655711178 566838523 /nfs/dbraw/zinc/83/85/23/566838523.db2.gz HOASBHZYRTXZQD-MRXNPFEDSA-N 0 1 391.313 3.119 20 0 GGADMN CO[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1(C)C ZINC000451551552 566838464 /nfs/dbraw/zinc/83/84/64/566838464.db2.gz LLAWMSRKSWNSDQ-BBRMVZONSA-N 0 1 383.330 3.373 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CCN(C(C)C)C1=O ZINC000655735086 566840107 /nfs/dbraw/zinc/84/01/07/566840107.db2.gz FCIADQQXFDKCQP-QGZVFWFLSA-N 0 1 391.313 3.042 20 0 GGADMN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(Br)c1O ZINC000582215720 566841025 /nfs/dbraw/zinc/84/10/25/566841025.db2.gz GURPQZNSWOOGEY-CQSZACIVSA-N 0 1 378.266 3.484 20 0 GGADMN Cc1nc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c(-c2ccccc2)s1 ZINC000632025722 566841044 /nfs/dbraw/zinc/84/10/44/566841044.db2.gz PLBOCORHRRNMRU-CJNGLKHVSA-N 0 1 379.551 3.079 20 0 GGADMN C[C@H](CNC(=O)c1cccc(Br)c1[O-])[N@@H+](C)Cc1ccccc1 ZINC000517713221 566841422 /nfs/dbraw/zinc/84/14/22/566841422.db2.gz ONZZCKCCSJHZFJ-CYBMUJFWSA-N 0 1 377.282 3.405 20 0 GGADMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655721370 566841387 /nfs/dbraw/zinc/84/13/87/566841387.db2.gz OBIWNTXWIYZQMJ-OCCSQVGLSA-N 0 1 393.329 3.336 20 0 GGADMN Cc1ccc2nc(CNC[C@@H](O)COc3cc(Cl)ccc3Cl)cn2c1 ZINC000562987211 566841462 /nfs/dbraw/zinc/84/14/62/566841462.db2.gz QVDDDFAPZIIGRK-OAHLLOKOSA-N 0 1 380.275 3.479 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000542951611 566841987 /nfs/dbraw/zinc/84/19/87/566841987.db2.gz GKXORVNDUMGCPW-UHFFFAOYSA-N 0 1 390.241 3.216 20 0 GGADMN O[C@@H](CN[C@H]1COCc2ccccc21)COc1cc(F)cc(Br)c1 ZINC000562996831 566843227 /nfs/dbraw/zinc/84/32/27/566843227.db2.gz HSDBEEAADVIIRC-YJBOKZPZSA-N 0 1 396.256 3.189 20 0 GGADMN COCc1nc2n(n1)C[C@H](NCc1oc3ccccc3c1Br)CC2 ZINC000655748585 566843589 /nfs/dbraw/zinc/84/35/89/566843589.db2.gz CZVWZAKIKUVJCS-LLVKDONJSA-N 0 1 391.269 3.038 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000655742354 566843609 /nfs/dbraw/zinc/84/36/09/566843609.db2.gz QTLSSECSNYJQJW-HNNXBMFYSA-N 0 1 391.313 3.042 20 0 GGADMN C[C@@H](CO)N1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000470070230 566843783 /nfs/dbraw/zinc/84/37/83/566843783.db2.gz FYCFPSNQAAZNPS-LBPRGKRZSA-N 0 1 377.337 3.001 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3cncnc3C)C2=O)ccc1Br ZINC000655754861 566844434 /nfs/dbraw/zinc/84/44/34/566844434.db2.gz KPTMETXDWSBFIT-DYVFJYSZSA-N 0 1 389.297 3.312 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000582246872 566844391 /nfs/dbraw/zinc/84/43/91/566844391.db2.gz TVTUGNYLSUZBPE-INIZCTEOSA-N 0 1 384.259 3.320 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cscc1Br)c1nc(C(C)(C)C)no1 ZINC000632049833 566844579 /nfs/dbraw/zinc/84/45/79/566844579.db2.gz RSCRGVHANVQXNM-SSDOTTSWSA-N 0 1 394.316 3.231 20 0 GGADMN Cn1cc(CNC(=O)c2cccc(Br)c2O)c(-c2ccccc2)n1 ZINC000542989222 566844618 /nfs/dbraw/zinc/84/46/18/566844618.db2.gz NGTMFFSXAFQNGH-UHFFFAOYSA-N 0 1 386.249 3.485 20 0 GGADMN CCc1nc([C@H](C)NCc2cn(-c3ccccc3Br)nc2C)n[nH]1 ZINC000655754011 566844842 /nfs/dbraw/zinc/84/48/42/566844842.db2.gz JFCZQVGQBPWKOP-LBPRGKRZSA-N 0 1 389.301 3.475 20 0 GGADMN C[S@@](=O)c1ccc(CNCc2cnc3ccc(Br)cn23)cc1 ZINC000610575239 566845008 /nfs/dbraw/zinc/84/50/08/566845008.db2.gz QDAVGNYOKPOJMX-JOCHJYFZSA-N 0 1 378.295 3.124 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC[C@@H]1CCCCS1 ZINC000563031979 566845335 /nfs/dbraw/zinc/84/53/35/566845335.db2.gz HDOQEZPMPTZIFY-JTQLQIEISA-N 0 1 383.315 3.410 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NC2(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000563020697 566845869 /nfs/dbraw/zinc/84/58/69/566845869.db2.gz ZAUDRDVRJUCSCX-UHFFFAOYSA-N 0 1 392.301 3.353 20 0 GGADMN Cc1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Br ZINC000428475522 566846632 /nfs/dbraw/zinc/84/66/32/566846632.db2.gz AHBXWXCDDOMHRA-GFCCVEGCSA-N 0 1 379.220 3.258 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC(CCCO)CC1 ZINC000543027055 566846770 /nfs/dbraw/zinc/84/67/70/566846770.db2.gz UMVOYIXLMQPNSI-UHFFFAOYSA-N 0 1 392.297 3.464 20 0 GGADMN OC[C@H]([C@H](NCc1nnc(-c2ccccc2Br)o1)C1CC1)C1CC1 ZINC000451595529 566846768 /nfs/dbraw/zinc/84/67/68/566846768.db2.gz RWZLCSHKVAHHLA-WMLDXEAASA-N 0 1 392.297 3.386 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000428478066 566847176 /nfs/dbraw/zinc/84/71/76/566847176.db2.gz BRTJBAWGHZIYRH-SNVBAGLBSA-N 0 1 386.748 3.442 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000490415702 566847194 /nfs/dbraw/zinc/84/71/94/566847194.db2.gz AHZSTUNFUBCLFT-LBPRGKRZSA-N 0 1 377.337 3.488 20 0 GGADMN C[S@@](=O)c1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000610591711 566847229 /nfs/dbraw/zinc/84/72/29/566847229.db2.gz QLBUFTAFJROHQD-JOCHJYFZSA-N 0 1 382.279 3.205 20 0 GGADMN Cc1cc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)sc1Br ZINC000428484294 566847499 /nfs/dbraw/zinc/84/74/99/566847499.db2.gz POYCHJGMNYGACK-VIFPVBQESA-N 0 1 385.249 3.319 20 0 GGADMN O=C1CCCN1CCCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000517775204 566847541 /nfs/dbraw/zinc/84/75/41/566847541.db2.gz WWGDGOXOYPEXIL-UHFFFAOYSA-N 0 1 381.299 3.339 20 0 GGADMN CCNC(=O)[C@@H](NCc1cn(-c2cccc(Br)c2)nc1C)C(C)C ZINC000655775844 566847773 /nfs/dbraw/zinc/84/77/73/566847773.db2.gz BWTDNKATVMASAQ-KRWDZBQOSA-N 0 1 393.329 3.194 20 0 GGADMN CN(CCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl)S(C)(=O)=O ZINC000679331494 566848654 /nfs/dbraw/zinc/84/86/54/566848654.db2.gz IYPBTUOUJLOPEW-GOSISDBHSA-N 0 1 384.904 3.440 20 0 GGADMN Brc1cccc2c1OCCC[C@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655799051 566848681 /nfs/dbraw/zinc/84/86/81/566848681.db2.gz ZLHGVLDJFTYQCQ-ZIAGYGMSSA-N 0 1 393.285 3.422 20 0 GGADMN Cc1nc(CN(C)Cc2cccc(Br)c2OC[C@H]2CCCO2)n[nH]1 ZINC000428489890 566848850 /nfs/dbraw/zinc/84/88/50/566848850.db2.gz KXTPZQRPSADJHO-CQSZACIVSA-N 0 1 395.301 3.065 20 0 GGADMN O=C(Nc1cccc2c(Br)ccnc12)N1CC[C@H](c2nc[nH]n2)C1 ZINC000582297573 566849190 /nfs/dbraw/zinc/84/91/90/566849190.db2.gz HSUFDRBTAHGKRH-JTQLQIEISA-N 0 1 387.241 3.137 20 0 GGADMN Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1nnc([C@H]3CCCO3)[n-]1)C2 ZINC000655798126 566849759 /nfs/dbraw/zinc/84/97/59/566849759.db2.gz UBRGEINOROKFGH-LSDHHAIUSA-N 0 1 377.286 3.066 20 0 GGADMN Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1nnc([C@@H]3CCCO3)[n-]1)C2 ZINC000655798124 566849903 /nfs/dbraw/zinc/84/99/03/566849903.db2.gz UBRGEINOROKFGH-GJZGRUSLSA-N 0 1 377.286 3.066 20 0 GGADMN COc1ccc([C@@H](C)NCc2n[nH]c([C@H]3CCCO3)n2)c(Br)c1 ZINC000655793849 566850098 /nfs/dbraw/zinc/85/00/98/566850098.db2.gz DYARWQDYKFQTKW-QMTHXVAHSA-N 0 1 381.274 3.278 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CNCc1n[nH]c(C(C)C)n1 ZINC000655778533 566850259 /nfs/dbraw/zinc/85/02/59/566850259.db2.gz OIPQFULCHKBGMK-UHFFFAOYSA-N 0 1 389.301 3.475 20 0 GGADMN Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1nnc([C@H]3CCCO3)[n-]1)C2 ZINC000655798125 566850337 /nfs/dbraw/zinc/85/03/37/566850337.db2.gz UBRGEINOROKFGH-HUUCEWRRSA-N 0 1 377.286 3.066 20 0 GGADMN Brc1cccc2c1C[C@H]([NH2+]Cc1nnc([C@H]3CCCO3)[n-]1)CC2 ZINC000655796673 566850442 /nfs/dbraw/zinc/85/04/42/566850442.db2.gz IBGPMACTFZEZJD-IUODEOHRSA-N 0 1 377.286 3.066 20 0 GGADMN CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1cccc(Br)c1 ZINC000517857254 566851159 /nfs/dbraw/zinc/85/11/59/566851159.db2.gz ZRPKZXZKWQQPGR-UHFFFAOYSA-N 0 1 384.318 3.284 20 0 GGADMN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NCc1n[nH]c(C2CC2)n1 ZINC000517858434 566851393 /nfs/dbraw/zinc/85/13/93/566851393.db2.gz XJZLGLWBJMADEY-UHFFFAOYSA-N 0 1 382.898 3.337 20 0 GGADMN Brc1cccc2c(CNCc3n[nH]c([C@H]4CCCO4)n3)ccnc12 ZINC000655816998 566851803 /nfs/dbraw/zinc/85/18/03/566851803.db2.gz CWZHEJKLPXYDCB-CQSZACIVSA-N 0 1 388.269 3.257 20 0 GGADMN O=C1C[C@H](N[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CN1C1CC1 ZINC000679354595 566851928 /nfs/dbraw/zinc/85/19/28/566851928.db2.gz XQVBVGAMENHDHY-YXJHDRRASA-N 0 1 379.298 3.022 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000490444348 566852336 /nfs/dbraw/zinc/85/23/36/566852336.db2.gz XBUJENVLYDJNEJ-LBPRGKRZSA-N 0 1 377.337 3.488 20 0 GGADMN Clc1sc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1Br ZINC000655816764 566852398 /nfs/dbraw/zinc/85/23/98/566852398.db2.gz BKEFZUWKBBKXLL-SECBINFHSA-N 0 1 377.695 3.423 20 0 GGADMN CC(C)C[C@@H]1C[C@@H](NC(=O)[C@](C)(N)c2ccc(Br)cc2)CCO1 ZINC000563086936 566852641 /nfs/dbraw/zinc/85/26/41/566852641.db2.gz WLZAINAURXUMFD-LZLYRXPVSA-N 0 1 383.330 3.333 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2NCC(=O)Nc2cc(Cl)ccc2Cl)cnn1C ZINC000582337794 566853111 /nfs/dbraw/zinc/85/31/11/566853111.db2.gz FMCNCVZBMMDMPO-WMLDXEAASA-N 0 1 383.279 3.094 20 0 GGADMN Cn1nnc2c1CC[C@@H](N[C@@H](c1ccco1)c1ccc(Br)cc1)C2 ZINC000655827242 566853568 /nfs/dbraw/zinc/85/35/68/566853568.db2.gz QFKZFMKJFWVOTA-RDTXWAMCSA-N 0 1 387.281 3.407 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000490456624 566853636 /nfs/dbraw/zinc/85/36/36/566853636.db2.gz ZOPJAHYRGQGFLV-CYBMUJFWSA-N 0 1 376.444 3.200 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000490456625 566854015 /nfs/dbraw/zinc/85/40/15/566854015.db2.gz ZOPJAHYRGQGFLV-ZDUSSCGKSA-N 0 1 376.444 3.200 20 0 GGADMN Cn1nnc2c1CC[C@H](N[C@@H](c1ccco1)c1ccc(Br)cc1)C2 ZINC000655827239 566853949 /nfs/dbraw/zinc/85/39/49/566853949.db2.gz QFKZFMKJFWVOTA-KBXCAEBGSA-N 0 1 387.281 3.407 20 0 GGADMN Cn1nnc2c1CC[C@H](N[C@H](c1ccco1)c1ccc(Br)cc1)C2 ZINC000655827241 566854213 /nfs/dbraw/zinc/85/42/13/566854213.db2.gz QFKZFMKJFWVOTA-KSSFIOAISA-N 0 1 387.281 3.407 20 0 GGADMN O=S(=O)(N[C@H]1CCN(c2ccccc2F)C1)c1c(Cl)ccc(F)c1F ZINC000490458446 566854296 /nfs/dbraw/zinc/85/42/96/566854296.db2.gz NBRPNMFNNBSZCM-JTQLQIEISA-N 0 1 390.814 3.315 20 0 GGADMN C[C@H](Cc1ccccn1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000655833940 566854479 /nfs/dbraw/zinc/85/44/79/566854479.db2.gz IXYWFBPZUZCALS-MLGOLLRUSA-N 0 1 395.322 3.283 20 0 GGADMN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451648088 566855495 /nfs/dbraw/zinc/85/54/95/566855495.db2.gz NZCJEYOVSGNPNE-SECBINFHSA-N 0 1 395.321 3.047 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000543153818 566857232 /nfs/dbraw/zinc/85/72/32/566857232.db2.gz PULYKFSAVULLDF-CQSZACIVSA-N 0 1 376.844 3.453 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1Cl ZINC000428553308 566858477 /nfs/dbraw/zinc/85/84/77/566858477.db2.gz XCSHTFCVLROKSA-UHFFFAOYSA-N 0 1 375.881 3.423 20 0 GGADMN COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000543164577 566858811 /nfs/dbraw/zinc/85/88/11/566858811.db2.gz QVPXKPHRGGKQAV-UHFFFAOYSA-N 0 1 379.331 3.418 20 0 GGADMN CN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000518002268 566859722 /nfs/dbraw/zinc/85/97/22/566859722.db2.gz QSEWTTXNIFISJV-LLVKDONJSA-N 0 1 390.349 3.097 20 0 GGADMN CCc1cnc(CNCCc2ccc(S(=O)(=O)N(CC)CC)s2)s1 ZINC000543176973 566860290 /nfs/dbraw/zinc/86/02/90/566860290.db2.gz CWEZRVDUVRRHJZ-UHFFFAOYSA-N 0 1 387.596 3.130 20 0 GGADMN COc1cc(Br)c(CN(C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000543171367 566860528 /nfs/dbraw/zinc/86/05/28/566860528.db2.gz GLRKRKKRDYYRQX-UHFFFAOYSA-N 0 1 399.329 3.345 20 0 GGADMN CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@@H]1CCCC[C@H]1O ZINC000428605431 566861306 /nfs/dbraw/zinc/86/13/06/566861306.db2.gz VQVZHEZQGBONSD-CHWSQXEVSA-N 0 1 378.270 3.215 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451691981 566863325 /nfs/dbraw/zinc/86/33/25/566863325.db2.gz DDDBVJKKBHRMSP-VMUDFCTBSA-N 0 1 381.314 3.259 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC(=O)c1cccc(Br)c1O ZINC000518049004 566863459 /nfs/dbraw/zinc/86/34/59/566863459.db2.gz GVCNODXLNLWOIT-UHFFFAOYSA-N 0 1 396.237 3.111 20 0 GGADMN CN(CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@H]1CCSC1 ZINC000490562758 566864271 /nfs/dbraw/zinc/86/42/71/566864271.db2.gz FPZOKKILRAUWAJ-QFBILLFUSA-N 0 1 375.925 3.378 20 0 GGADMN C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1OCCc2sccc21 ZINC000490551985 566864371 /nfs/dbraw/zinc/86/43/71/566864371.db2.gz SPNDIMCFMZUSGT-RTHLEPHNSA-N 0 1 377.409 3.146 20 0 GGADMN CN(C)c1ncc(Br)cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470326913 566864503 /nfs/dbraw/zinc/86/45/03/566864503.db2.gz HEYIKCYRDDKTEP-UHFFFAOYSA-N 0 1 394.317 3.203 20 0 GGADMN OC[C@@H](CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)Cc1ccco1 ZINC000543237576 566865554 /nfs/dbraw/zinc/86/55/54/566865554.db2.gz BYNPKSGLTOLOAJ-GFCCVEGCSA-N 0 1 381.263 3.108 20 0 GGADMN Brc1cc2c(cc1Cc1noc(C34CCCN3CCC4)n1)OCO2 ZINC000582477181 566865649 /nfs/dbraw/zinc/86/56/49/566865649.db2.gz DUBYUEBDOGCJDH-UHFFFAOYSA-N 0 1 392.253 3.237 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1cnc(C)[nH]c1=O ZINC000543234952 566865655 /nfs/dbraw/zinc/86/56/55/566865655.db2.gz BDSHHESSFQVQPA-UHFFFAOYSA-N 0 1 388.269 3.037 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@H]2C1 ZINC000451701220 566866132 /nfs/dbraw/zinc/86/61/32/566866132.db2.gz GZYKNVPFGATOPU-KCQAQPDRSA-N 0 1 382.298 3.203 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)CN(C)[C@H]1CCSC1 ZINC000490582331 566866221 /nfs/dbraw/zinc/86/62/21/566866221.db2.gz GZQOJBLHVRRXJZ-GJZGRUSLSA-N 0 1 385.371 3.324 20 0 GGADMN COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(Br)c1OC ZINC000451706175 566866849 /nfs/dbraw/zinc/86/68/49/566866849.db2.gz LORGFWQMHKLOBA-VNHYZAJKSA-N 0 1 384.314 3.449 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]2C1 ZINC000451711332 566867735 /nfs/dbraw/zinc/86/77/35/566867735.db2.gz PQQHIDVFMLTRPL-IJLUTSLNSA-N 0 1 382.258 3.075 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccccc1SCc1cccs1 ZINC000490588296 566867851 /nfs/dbraw/zinc/86/78/51/566867851.db2.gz QSUWOTKMJIPKIT-UHFFFAOYSA-N 0 1 392.531 3.495 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273665 566868356 /nfs/dbraw/zinc/86/83/56/566868356.db2.gz WKENQOXKKCLORA-JGVFFNPUSA-N 0 1 393.332 3.182 20 0 GGADMN O=C(N=c1cc(-c2cccc(F)c2F)[nH][nH]1)c1ccc(Br)c(O)c1 ZINC000490606095 566869120 /nfs/dbraw/zinc/86/91/20/566869120.db2.gz HRZWAJSCAIYVTI-UHFFFAOYSA-N 0 1 394.175 3.497 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]2C1 ZINC000451720263 566869216 /nfs/dbraw/zinc/86/92/16/566869216.db2.gz XYWTYXMYYQMMKD-MGPQQGTHSA-N 0 1 392.297 3.482 20 0 GGADMN CC[C@H]1CN(CC)CCN1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000451723766 566869548 /nfs/dbraw/zinc/86/95/48/566869548.db2.gz BLXNQGCIUMEQSU-PBHICJAKSA-N 0 1 382.346 3.042 20 0 GGADMN CC[N@@H+](CCOc1ccc(Br)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000518201120 566869992 /nfs/dbraw/zinc/86/99/92/566869992.db2.gz SLAROFIRBPQJSM-INIZCTEOSA-N 0 1 379.254 3.371 20 0 GGADMN CC[N@@H+](CCOc1ccc(Br)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000518201122 566870172 /nfs/dbraw/zinc/87/01/72/566870172.db2.gz SLAROFIRBPQJSM-MRXNPFEDSA-N 0 1 379.254 3.371 20 0 GGADMN COc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)cc(Br)c1OC(F)F ZINC000656100414 566870155 /nfs/dbraw/zinc/87/01/55/566870155.db2.gz LKBRWZYSOUYURC-UHFFFAOYSA-N 0 1 394.212 3.498 20 0 GGADMN COC(=O)[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1Cl ZINC000543305558 566870975 /nfs/dbraw/zinc/87/09/75/566870975.db2.gz QMFFCIFFRQQBCF-MEBBXXQBSA-N 0 1 382.247 3.167 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccn1)N1CCc2c(Br)cccc2C1 ZINC000582517374 566871061 /nfs/dbraw/zinc/87/10/61/566871061.db2.gz XITUESXFVWFXKJ-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN CCN1CCN([C@@H](C)CNc2nc3ccccc3cc2Br)CC1 ZINC000656108675 566872097 /nfs/dbraw/zinc/87/20/97/566872097.db2.gz MJQVKRJZOJFLHR-AWEZNQCLSA-N 0 1 377.330 3.435 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000563290608 566872264 /nfs/dbraw/zinc/87/22/64/566872264.db2.gz PJMXBJDEZZVMMU-ZDUSSCGKSA-N 0 1 380.901 3.449 20 0 GGADMN CC[C@@H]1CN(CC)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000451731931 566872434 /nfs/dbraw/zinc/87/24/34/566872434.db2.gz RYQYGNOQPYXFKV-MRXNPFEDSA-N 0 1 393.329 3.339 20 0 GGADMN CCOC(=O)c1nnc(NC(=O)c2cc(-c3ccccc3Cl)on2)s1 ZINC000610894732 566872634 /nfs/dbraw/zinc/87/26/34/566872634.db2.gz HHQVPQMXNYUXLN-UHFFFAOYSA-N 0 1 378.797 3.276 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000563288016 566873191 /nfs/dbraw/zinc/87/31/91/566873191.db2.gz BLJUTDPCZQEHLB-ZDUSSCGKSA-N 0 1 396.159 3.017 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000563288016 566873195 /nfs/dbraw/zinc/87/31/95/566873195.db2.gz BLJUTDPCZQEHLB-ZDUSSCGKSA-N 0 1 396.159 3.017 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000490649311 566873891 /nfs/dbraw/zinc/87/38/91/566873891.db2.gz NZRXGOPCSTZFQV-UHFFFAOYSA-N 0 1 386.246 3.256 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1 ZINC000428777839 566875507 /nfs/dbraw/zinc/87/55/07/566875507.db2.gz HJBZVFGLYIANQV-KDOFPFPSSA-N 0 1 391.309 3.119 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000428774386 566875587 /nfs/dbraw/zinc/87/55/87/566875587.db2.gz VHIKFZYIPCXYBA-KBXCAEBGSA-N 0 1 391.309 3.085 20 0 GGADMN COc1ccc(Br)c(CN(C)C(=O)NCCCc2cn[nH]c2C)c1 ZINC000428758248 566875721 /nfs/dbraw/zinc/87/57/21/566875721.db2.gz KOVYYSYEAIAAIN-UHFFFAOYSA-N 0 1 395.301 3.263 20 0 GGADMN CC(C)(C)CN1CCC[C@H](N[C@H](CO)c2ccc(Br)cc2)C1=O ZINC000428773965 566876171 /nfs/dbraw/zinc/87/61/71/566876171.db2.gz SRPYPKSDMCQSKO-JKSUJKDBSA-N 0 1 383.330 3.109 20 0 GGADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)s1 ZINC000679844822 566876508 /nfs/dbraw/zinc/87/65/08/566876508.db2.gz MIVZXSYJAMBHNG-NSHDSACASA-N 0 1 379.507 3.020 20 0 GGADMN Cc1cccc(C[C@@H](CO)NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000470472392 566877262 /nfs/dbraw/zinc/87/72/62/566877262.db2.gz GAUNVSMBXJDUPJ-ZDUSSCGKSA-N 0 1 375.881 3.433 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000428784514 566877334 /nfs/dbraw/zinc/87/73/34/566877334.db2.gz TUFDVBLUGQGYTE-QFYYESIMSA-N 0 1 399.235 3.378 20 0 GGADMN CC1(C)[C@H](O)C[C@H]1NCc1coc(-c2ccc(I)cc2)n1 ZINC000563361976 566878216 /nfs/dbraw/zinc/87/82/16/566878216.db2.gz VWNVNBUKKGLJPH-ZIAGYGMSSA-N 0 1 398.244 3.195 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000428784516 566878106 /nfs/dbraw/zinc/87/81/06/566878106.db2.gz TUFDVBLUGQGYTE-QLJPJBMISA-N 0 1 399.235 3.378 20 0 GGADMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(OC)c(OC)c1Br ZINC000451771548 566878404 /nfs/dbraw/zinc/87/84/04/566878404.db2.gz HFRDROKWWRIAFS-OLZOCXBDSA-N 0 1 386.286 3.288 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000428801767 566878787 /nfs/dbraw/zinc/87/87/87/566878787.db2.gz GAIHMXKAZLNBBR-MGBSGCIJSA-N 0 1 383.330 3.156 20 0 GGADMN COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc(Br)c1OC(F)F ZINC000543410834 566879173 /nfs/dbraw/zinc/87/91/73/566879173.db2.gz DYNWYXQKCLBURQ-DMDPSCGWSA-N 0 1 392.240 3.262 20 0 GGADMN COc1ccccc1NC(=O)[C@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000428795386 566879278 /nfs/dbraw/zinc/87/92/78/566879278.db2.gz WNWKTNMGKRNKLO-LRDDRELGSA-N 0 1 393.281 3.108 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)c1ccccc1F ZINC000610970360 566879723 /nfs/dbraw/zinc/87/97/23/566879723.db2.gz TXNGBKYQUUJFOD-OAHLLOKOSA-N 0 1 385.482 3.377 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CCN1C ZINC000490773049 566879771 /nfs/dbraw/zinc/87/97/71/566879771.db2.gz STCUDGKEVDCPKM-AWEZNQCLSA-N 0 1 392.301 3.196 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)c1ccccc1F ZINC000610970359 566879888 /nfs/dbraw/zinc/87/98/88/566879888.db2.gz TXNGBKYQUUJFOD-HNNXBMFYSA-N 0 1 385.482 3.377 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000518386988 566880425 /nfs/dbraw/zinc/88/04/25/566880425.db2.gz UHZUPFLGDSINRC-ZWKOTPCHSA-N 0 1 390.277 3.242 20 0 GGADMN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000428802990 566880509 /nfs/dbraw/zinc/88/05/09/566880509.db2.gz HXROLEUHTHTUGT-DYVFJYSZSA-N 0 1 377.282 3.408 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NCC1CCCCC1 ZINC000428813427 566880545 /nfs/dbraw/zinc/88/05/45/566880545.db2.gz DBESFQOUBPGWEA-GUYCJALGSA-N 0 1 383.330 3.157 20 0 GGADMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(Br)o2)C1 ZINC000582630150 566880753 /nfs/dbraw/zinc/88/07/53/566880753.db2.gz TVYDFVNIWCDZDD-SNVBAGLBSA-N 0 1 383.208 3.465 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2cccc(F)c2I)c1 ZINC000611001375 566880967 /nfs/dbraw/zinc/88/09/67/566880967.db2.gz GPUABPFWJIOHGW-UHFFFAOYSA-N 0 1 399.207 3.139 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1F)[C@H](CO)CC(C)(C)C ZINC000451783682 566880987 /nfs/dbraw/zinc/88/09/87/566880987.db2.gz SMBUHSKBLCYWDD-LBPRGKRZSA-N 0 1 375.282 3.256 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N(C)C1CCCCC1 ZINC000428806531 566881068 /nfs/dbraw/zinc/88/10/68/566881068.db2.gz YLSCVAGESOUMRD-CXAGYDPISA-N 0 1 383.330 3.252 20 0 GGADMN O=C(CN[C@@H]1CCC(=O)Nc2ccccc21)Nc1cccc(Br)c1 ZINC000543426325 566881053 /nfs/dbraw/zinc/88/10/53/566881053.db2.gz PGTNMLIGDRTXKN-OAHLLOKOSA-N 0 1 388.265 3.451 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NCCC1=CCCCC1 ZINC000428814860 566881299 /nfs/dbraw/zinc/88/12/99/566881299.db2.gz FBABGQMEICYLLL-RDTXWAMCSA-N 0 1 395.341 3.467 20 0 GGADMN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](c2cccs2)C2CC2)c1 ZINC000543439642 566881682 /nfs/dbraw/zinc/88/16/82/566881682.db2.gz QBFCGUMBTJPZMC-QGZVFWFLSA-N 0 1 398.937 3.484 20 0 GGADMN COC(=O)CCSc1ncccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000543446069 566881881 /nfs/dbraw/zinc/88/18/81/566881881.db2.gz WSWCDJXAQFCZJU-UHFFFAOYSA-N 0 1 380.491 3.154 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000490836638 566881972 /nfs/dbraw/zinc/88/19/72/566881972.db2.gz XYQIHIYVNYIZGD-VXGBXAGGSA-N 0 1 387.265 3.156 20 0 GGADMN Brc1ccc2onc(N3CCC[C@@H](N4CCOCC4)CC3)c2c1 ZINC000563422164 566882173 /nfs/dbraw/zinc/88/21/73/566882173.db2.gz BZSHEXWNUMHLQL-CQSZACIVSA-N 0 1 380.286 3.281 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000490836637 566882373 /nfs/dbraw/zinc/88/23/73/566882373.db2.gz XYQIHIYVNYIZGD-RYUDHWBXSA-N 0 1 387.265 3.156 20 0 GGADMN COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)n1C ZINC000490845145 566882531 /nfs/dbraw/zinc/88/25/31/566882531.db2.gz PXJKAVZVICAIHZ-UHFFFAOYSA-N 0 1 387.617 3.186 20 0 GGADMN CCNC(=O)c1ccc(=N[C@@H]2c3cc(Br)ccc3CC2(C)C)[nH]n1 ZINC000582641719 566882553 /nfs/dbraw/zinc/88/25/53/566882553.db2.gz ABIDRSWXQZLLLL-MRXNPFEDSA-N 0 1 389.297 3.146 20 0 GGADMN CC(C)N1CCN(Cc2ncc(Br)cc2Br)CC1 ZINC000543446207 566882707 /nfs/dbraw/zinc/88/27/07/566882707.db2.gz AJEPSHAPVXHZAC-UHFFFAOYSA-N 0 1 377.124 3.133 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cscc2C(F)(F)F)cc1 ZINC000518445582 566883850 /nfs/dbraw/zinc/88/38/50/566883850.db2.gz RACRWUBBJRDCQN-UHFFFAOYSA-N 0 1 378.441 3.307 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000563442097 566884411 /nfs/dbraw/zinc/88/44/11/566884411.db2.gz NZDDDZZNXZISRJ-TXEJJXNPSA-N 0 1 382.917 3.335 20 0 GGADMN COc1ccc(Br)cc1CN[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428852024 566884761 /nfs/dbraw/zinc/88/47/61/566884761.db2.gz SIFPYBZMNXMTKY-SJCJKPOMSA-N 0 1 377.282 3.205 20 0 GGADMN CN(CCNCc1ccc(C(F)(F)F)s1)S(=O)(=O)c1cccs1 ZINC000428854017 566885008 /nfs/dbraw/zinc/88/50/08/566885008.db2.gz ANHIBLMUWVCOCI-UHFFFAOYSA-N 0 1 384.470 3.239 20 0 GGADMN C[C@@H](N[C@@H](C)c1cncc(Br)c1)C(=O)NCCc1ccccc1 ZINC000563445082 566885403 /nfs/dbraw/zinc/88/54/03/566885403.db2.gz WTFKDOHUEYNOHY-UONOGXRCSA-N 0 1 376.298 3.242 20 0 GGADMN COc1c(Br)cc(Cl)cc1NC(=O)N1CCNC(C)(C)C1 ZINC000563464186 566886007 /nfs/dbraw/zinc/88/60/07/566886007.db2.gz QNAVJGDIMKBXCZ-UHFFFAOYSA-N 0 1 376.682 3.327 20 0 GGADMN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000563445476 566886194 /nfs/dbraw/zinc/88/61/94/566886194.db2.gz GTDWWAVZNOWQPH-UHFFFAOYSA-N 0 1 383.279 3.112 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2ccc(C(F)(F)F)s2)cc1 ZINC000428870827 566886789 /nfs/dbraw/zinc/88/67/89/566886789.db2.gz ISHKEWCWKKZZEQ-UHFFFAOYSA-N 0 1 378.441 3.143 20 0 GGADMN C[C@H](c1ccccc1)[C@H](NCC[S@@](=O)c1cc(Cl)ccc1Cl)C(N)=O ZINC000428873619 566886827 /nfs/dbraw/zinc/88/68/27/566886827.db2.gz VKEIJLWMNXOFQS-BGVGCFLOSA-N 0 1 399.343 3.348 20 0 GGADMN CS(=O)(=O)c1ccc(OCCNCc2nc3ccc(F)cc3s2)cc1 ZINC000428888535 566887611 /nfs/dbraw/zinc/88/76/11/566887611.db2.gz OJSCTEOAZIERPC-UHFFFAOYSA-N 0 1 380.466 3.008 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1nc(C(F)(F)F)no1 ZINC000632479256 566888151 /nfs/dbraw/zinc/88/81/51/566888151.db2.gz DNFKXBDZBXIEKI-SCSAIBSYSA-N 0 1 395.306 3.208 20 0 GGADMN C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1nc(C(F)(F)F)no1 ZINC000632479425 566888298 /nfs/dbraw/zinc/88/82/98/566888298.db2.gz CPMFKVHEOMCQKI-YFKPBYRVSA-N 0 1 390.170 3.435 20 0 GGADMN COCCNC(=O)C1CCN(Cc2oc3ccccc3c2Br)CC1 ZINC000656248599 566888310 /nfs/dbraw/zinc/88/83/10/566888310.db2.gz WMDSDNUBMQCNKV-UHFFFAOYSA-N 0 1 395.297 3.170 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCC(CC(N)=O)CC1 ZINC000656250407 566888702 /nfs/dbraw/zinc/88/87/02/566888702.db2.gz PWOBIYPRICBAAU-UHFFFAOYSA-N 0 1 391.313 3.031 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCC1(F)F)c1cc(Br)c(F)cc1F ZINC000451824823 566888808 /nfs/dbraw/zinc/88/88/08/566888808.db2.gz PMLOPTLALMNNHE-ZETCQYMHSA-N 0 1 390.196 3.441 20 0 GGADMN C[C@@H](NCCCN1CCCC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000543548331 566889146 /nfs/dbraw/zinc/88/91/46/566889146.db2.gz IZQWBNPQNQJCOR-GFCCVEGCSA-N 0 1 393.285 3.162 20 0 GGADMN O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1cccc(Cl)c1O ZINC000563506294 566889167 /nfs/dbraw/zinc/88/91/67/566889167.db2.gz KJJZJXQMPMUCDU-UHFFFAOYSA-N 0 1 379.865 3.411 20 0 GGADMN CC[C@@H](C)N1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000451822801 566889166 /nfs/dbraw/zinc/88/91/66/566889166.db2.gz LLFKIOKQLIQRIC-CQSZACIVSA-N 0 1 393.329 3.339 20 0 GGADMN O=S(=O)(NC[C@H]1CCCC1(F)F)c1cc(Br)c(F)cc1F ZINC000451824822 566889430 /nfs/dbraw/zinc/88/94/30/566889430.db2.gz PMLOPTLALMNNHE-SSDOTTSWSA-N 0 1 390.196 3.441 20 0 GGADMN CCN1CCN(C(=O)Nc2ccc(I)cc2C)C[C@H]1C ZINC000611093305 566889679 /nfs/dbraw/zinc/88/96/79/566889679.db2.gz XEFOXXWLRWDDPV-GFCCVEGCSA-N 0 1 387.265 3.158 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)CO2 ZINC000518529280 566889782 /nfs/dbraw/zinc/88/97/82/566889782.db2.gz GQXICXUULORTOE-CRAIPNDOSA-N 0 1 375.266 3.181 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)CO2 ZINC000518529282 566889882 /nfs/dbraw/zinc/88/98/82/566889882.db2.gz GQXICXUULORTOE-QAPCUYQASA-N 0 1 375.266 3.181 20 0 GGADMN C[C@@H](NC(=O)CN1CCC([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000680087434 566890176 /nfs/dbraw/zinc/89/01/76/566890176.db2.gz FIGHKKHCDUOTOA-PBHICJAKSA-N 0 1 395.341 3.375 20 0 GGADMN COCCCN(CCOC)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656250709 566891079 /nfs/dbraw/zinc/89/10/79/566891079.db2.gz YZLHMNPRYQGZLW-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN(C)CCc1cnccn1 ZINC000656255537 566891094 /nfs/dbraw/zinc/89/10/94/566891094.db2.gz KWYJQAHNEOPBGF-UHFFFAOYSA-N 0 1 386.297 3.408 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)s1 ZINC000680090189 566891270 /nfs/dbraw/zinc/89/12/70/566891270.db2.gz LDOHGKBYVZMRKV-YMTOWFKASA-N 0 1 398.472 3.345 20 0 GGADMN Cc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2O)c(Cl)c1 ZINC000518574145 566891653 /nfs/dbraw/zinc/89/16/53/566891653.db2.gz PSQZBBKHOXQHDA-UHFFFAOYSA-N 0 1 397.656 3.485 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(Br)c2O)C1 ZINC000518572266 566892071 /nfs/dbraw/zinc/89/20/71/566892071.db2.gz CVUDDOWMSKBTBW-QWHCGFSZSA-N 0 1 397.313 3.312 20 0 GGADMN COCCN(CCc1ccccc1)C(=O)c1cccc(Br)c1O ZINC000518572393 566892262 /nfs/dbraw/zinc/89/22/62/566892262.db2.gz LTJWASILRDETRU-UHFFFAOYSA-N 0 1 378.266 3.486 20 0 GGADMN Cn1ccc([C@@H](NC2CCC(S(C)(=O)=O)CC2)c2ccc(Cl)cc2)n1 ZINC000543604313 566892361 /nfs/dbraw/zinc/89/23/61/566892361.db2.gz XWKZPFWWGKCULP-HTWSVDAQSA-N 0 1 381.929 3.108 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(Cc3cnc4c(C)cc(Br)cn34)C2)n1 ZINC000543621016 566892588 /nfs/dbraw/zinc/89/25/88/566892588.db2.gz BIHJUFTVMSYGIZ-ZDUSSCGKSA-N 0 1 389.301 3.211 20 0 GGADMN Cc1nnc([C@H]2CCCN(Cc3cnc4c(C)cc(Br)cn34)C2)[nH]1 ZINC000543621016 566892595 /nfs/dbraw/zinc/89/25/95/566892595.db2.gz BIHJUFTVMSYGIZ-ZDUSSCGKSA-N 0 1 389.301 3.211 20 0 GGADMN CCOCCOCCN(C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656257116 566893255 /nfs/dbraw/zinc/89/32/55/566893255.db2.gz GZTISAKUMYLVNI-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN COCCOCCN(C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656259990 566893409 /nfs/dbraw/zinc/89/34/09/566893409.db2.gz HJGINHNELYMWNT-UHFFFAOYSA-N 0 1 382.302 3.038 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000543600298 566893497 /nfs/dbraw/zinc/89/34/97/566893497.db2.gz GOQBINWGKSRBRR-UHFFFAOYSA-N 0 1 391.269 3.414 20 0 GGADMN O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000582794320 566894610 /nfs/dbraw/zinc/89/46/10/566894610.db2.gz JFYKBILETSXBFN-WBVHZDCISA-N 0 1 377.282 3.073 20 0 GGADMN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1oc2ccccc2c1Br ZINC000656262428 566895700 /nfs/dbraw/zinc/89/57/00/566895700.db2.gz VDYKXBJOQPTEAP-KGLIPLIRSA-N 0 1 379.298 3.490 20 0 GGADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000518619899 566895749 /nfs/dbraw/zinc/89/57/49/566895749.db2.gz IXMXGUIONYQDJB-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN COCCN1CCN(Cc2cc(Br)cc(C)c2OC(F)F)CC1 ZINC000491152197 566895920 /nfs/dbraw/zinc/89/59/20/566895920.db2.gz ZDMLUTWQWUBYHF-UHFFFAOYSA-N 0 1 393.272 3.123 20 0 GGADMN Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1[O-] ZINC000680227838 566898097 /nfs/dbraw/zinc/89/80/97/566898097.db2.gz CALJHBQTZUNLHK-UHFFFAOYSA-N 0 1 383.279 3.125 20 0 GGADMN O=[S@@](CCN[C@@H](CO)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000429012308 566898407 /nfs/dbraw/zinc/89/84/07/566898407.db2.gz UAVGORXHDHMTCY-AOMKIAJQSA-N 0 1 386.286 3.019 20 0 GGADMN COc1cc(Br)ccc1CCC(=O)Nc1cc(N(C)C)ccn1 ZINC000680256445 566898554 /nfs/dbraw/zinc/89/85/54/566898554.db2.gz LDKPMPDSMVNGGG-UHFFFAOYSA-N 0 1 378.270 3.490 20 0 GGADMN O=C(c1sc2ccccc2c1Br)N1CC[C@@H](c2nc[nH]n2)C1 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Cc1[nH]ncc1CCCNC(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000656544934 566915787 /nfs/dbraw/zinc/91/57/87/566915787.db2.gz GNJDEXVNQKXVTG-UHFFFAOYSA-N 0 1 383.279 3.430 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H](c1cccs1)C(C)(C)CO)c1cccs1 ZINC000656541480 566915892 /nfs/dbraw/zinc/91/58/92/566915892.db2.gz LWUVVXZSHFLGNO-CZUORRHYSA-N 0 1 381.567 3.471 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000563771160 566916326 /nfs/dbraw/zinc/91/63/26/566916326.db2.gz UDJGNNCGTFJNIV-OKILXGFUSA-N 0 1 391.313 3.190 20 0 GGADMN O=C(CN1CCC[C@@]2(CCSC2)C1)NCCc1nc2ccccc2s1 ZINC000451971575 566916533 /nfs/dbraw/zinc/91/65/33/566916533.db2.gz LVPJOFSISCXQAZ-LJQANCHMSA-N 0 1 375.563 3.174 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000563771161 566916756 /nfs/dbraw/zinc/91/67/56/566916756.db2.gz UDJGNNCGTFJNIV-ZIAGYGMSSA-N 0 1 391.313 3.190 20 0 GGADMN CCOC(=O)c1nc(C)n(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000583057481 566917154 /nfs/dbraw/zinc/91/71/54/566917154.db2.gz 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O=S1(=O)C[C@H](N[C@@H]2CCc3cc(Br)ccc3C2)c2ccccc21 ZINC000583111165 566922437 /nfs/dbraw/zinc/92/24/37/566922437.db2.gz KDXUKDVSPLHEGJ-WBVHZDCISA-N 0 1 392.318 3.425 20 0 GGADMN Oc1cccc2c1C[C@H](NCc1cc3c(cc1Br)OCCO3)C2 ZINC000429302765 566922685 /nfs/dbraw/zinc/92/26/85/566922685.db2.gz BMYRLDWXOKTFGS-CYBMUJFWSA-N 0 1 376.250 3.183 20 0 GGADMN CC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(Cl)ccc3F)cc2C1 ZINC000656614228 566922765 /nfs/dbraw/zinc/92/27/65/566922765.db2.gz GLDGAFHQKDXWOY-UHFFFAOYSA-N 0 1 388.873 3.246 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[C@@H](C)N1 ZINC000519140649 566924150 /nfs/dbraw/zinc/92/41/50/566924150.db2.gz YFXHCYMEOWVERR-RKDXNWHRSA-N 0 1 381.192 3.170 20 0 GGADMN NS(=O)(=O)CC1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000429325567 566924276 /nfs/dbraw/zinc/92/42/76/566924276.db2.gz GSZGOUWMSOOJBI-UHFFFAOYSA-N 0 1 397.338 3.103 20 0 GGADMN Cc1csc(-c2nc(C3(N)CCCC3)no2)c1I ZINC000519154652 566924300 /nfs/dbraw/zinc/92/43/00/566924300.db2.gz ZTLWAMJGGXVPBK-UHFFFAOYSA-N 0 1 375.235 3.439 20 0 GGADMN Cc1cc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)nc(C(C)C)n1 ZINC000471056482 566924500 /nfs/dbraw/zinc/92/45/00/566924500.db2.gz OZWRMLNEWWRWCI-UHFFFAOYSA-N 0 1 387.285 3.490 20 0 GGADMN Cc1cc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)nc(C(C)C)n1 ZINC000471056482 566924505 /nfs/dbraw/zinc/92/45/05/566924505.db2.gz OZWRMLNEWWRWCI-UHFFFAOYSA-N 0 1 387.285 3.490 20 0 GGADMN COCCOc1ccc(F)cc1NS(=O)(=O)CCc1ccccc1Cl ZINC000656620793 566924709 /nfs/dbraw/zinc/92/47/09/566924709.db2.gz HVHCRSWLCBPAOF-UHFFFAOYSA-N 0 1 387.860 3.489 20 0 GGADMN COc1ccc(C(=O)C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1Cl ZINC000680636666 566924848 /nfs/dbraw/zinc/92/48/48/566924848.db2.gz OEVNBOYSVCBGLM-UHFFFAOYSA-N 0 1 378.215 3.377 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)NCc1cc(F)c(F)cc1Br ZINC000519165940 566925420 /nfs/dbraw/zinc/92/54/20/566925420.db2.gz KCDDSUKCGNYFRI-UHFFFAOYSA-N 0 1 380.192 3.463 20 0 GGADMN CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000563881539 566925869 /nfs/dbraw/zinc/92/58/69/566925869.db2.gz AOAATNYERSNAJF-OCCSQVGLSA-N 0 1 377.286 3.152 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000563881537 566925988 /nfs/dbraw/zinc/92/59/88/566925988.db2.gz AOAATNYERSNAJF-GXTWGEPZSA-N 0 1 377.286 3.152 20 0 GGADMN Cc1cc(NC(=O)c2nc(Cc3nc4cc(Cl)ccc4s3)no2)no1 ZINC000680677568 566926112 /nfs/dbraw/zinc/92/61/12/566926112.db2.gz ZCZGZOFZEZKMDK-UHFFFAOYSA-N 0 1 375.797 3.472 20 0 GGADMN CC(=O)c1cc(Br)cc(Cl)c1OCc1nc(C(C)(C)N)no1 ZINC000563883517 566926253 /nfs/dbraw/zinc/92/62/53/566926253.db2.gz ROZZVPJDAQKBCG-UHFFFAOYSA-N 0 1 388.649 3.461 20 0 GGADMN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1nc(C(F)(F)F)no1 ZINC000543996066 566926890 /nfs/dbraw/zinc/92/68/90/566926890.db2.gz JMIFJFZFXPTXLF-UHFFFAOYSA-N 0 1 390.170 3.015 20 0 GGADMN COCc1ccccc1-c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000680708715 566927812 /nfs/dbraw/zinc/92/78/12/566927812.db2.gz XQEIIOYVHKGPOS-UHFFFAOYSA-N 0 1 399.881 3.076 20 0 GGADMN Cc1nccc(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1Cl ZINC000492197641 566928334 /nfs/dbraw/zinc/92/83/34/566928334.db2.gz RVCYMOKASQOZNU-AWEZNQCLSA-N 0 1 383.876 3.130 20 0 GGADMN COC(=O)[C@@H]1CCCCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000611576883 566928748 /nfs/dbraw/zinc/92/87/48/566928748.db2.gz YZASVOWCWHKJHS-HNNXBMFYSA-N 0 1 383.286 3.195 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C[C@H](C)N1 ZINC000429414997 566929067 /nfs/dbraw/zinc/92/90/67/566929067.db2.gz CQKBXMJIFDJRPP-PHIMTYICSA-N 0 1 381.263 3.398 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2cncc(Br)c2)c1 ZINC000583213954 566929777 /nfs/dbraw/zinc/92/97/77/566929777.db2.gz ACANCMNFQQTTNB-VXGBXAGGSA-N 0 1 398.326 3.164 20 0 GGADMN COc1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc(OC)c1 ZINC000492257093 566929970 /nfs/dbraw/zinc/92/99/70/566929970.db2.gz JQOIQJDMUAVHJU-KRWDZBQOSA-N 0 1 384.245 3.429 20 0 GGADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC(C)C)c1 ZINC000471117256 566930205 /nfs/dbraw/zinc/93/02/05/566930205.db2.gz TWLZQTCDMZPGHM-UHFFFAOYSA-N 0 1 383.491 3.068 20 0 GGADMN COc1ccc(CNCCc2nnc(C(C)C)s2)c(Br)c1O ZINC000492239199 566930343 /nfs/dbraw/zinc/93/03/43/566930343.db2.gz HVQRRBZNJHBSEG-UHFFFAOYSA-N 0 1 386.315 3.471 20 0 GGADMN Cc1nn(C)c(S(=O)(=O)Nc2cnc(C(F)(F)F)c(C)c2)c1C(F)F ZINC000656638326 566930688 /nfs/dbraw/zinc/93/06/88/566930688.db2.gz YCHYEFJXLMUJBF-UHFFFAOYSA-N 0 1 384.330 3.189 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000492286492 566930809 /nfs/dbraw/zinc/93/08/09/566930809.db2.gz AFIOQEYJNDCCLF-UHFFFAOYSA-N 0 1 394.672 3.085 20 0 GGADMN NC(=O)c1ccc(CN[C@H]2CCc3c2cc(Cl)cc3Br)cn1 ZINC000583216913 566930929 /nfs/dbraw/zinc/93/09/29/566930929.db2.gz HXEARKKUQIDJQR-AWEZNQCLSA-N 0 1 380.673 3.374 20 0 GGADMN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2Cl)c(C)c1 ZINC000583224511 566931443 /nfs/dbraw/zinc/93/14/43/566931443.db2.gz RZZYWDJMOJXXTA-UHFFFAOYSA-N 0 1 382.869 3.208 20 0 GGADMN CCCCc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000471133888 566931547 /nfs/dbraw/zinc/93/15/47/566931547.db2.gz RZZYBAVQUWQLSS-UHFFFAOYSA-N 0 1 385.482 3.373 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492334629 566931947 /nfs/dbraw/zinc/93/19/47/566931947.db2.gz OWHMTMWWNHGCKV-OPAMFIHVSA-N 0 1 386.286 3.149 20 0 GGADMN CCc1nc(C)c([C@@H](C)NCc2ccc(S(=O)(=O)CCOC)cc2)s1 ZINC000429460591 566932226 /nfs/dbraw/zinc/93/22/26/566932226.db2.gz ZKOMEFMLDWLLPO-CYBMUJFWSA-N 0 1 382.551 3.285 20 0 GGADMN Cc1ccc2nc(C[NH2+]C[C@H](O)COc3cccc(Br)c3)[nH]c2c1 ZINC000563952542 566932272 /nfs/dbraw/zinc/93/22/72/566932272.db2.gz KQYYKLHBXUDSOO-AWEZNQCLSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc2[nH]c(CNC[C@H](O)COc3cccc(Br)c3)nc2c1 ZINC000563952542 566932277 /nfs/dbraw/zinc/93/22/77/566932277.db2.gz KQYYKLHBXUDSOO-AWEZNQCLSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc2nc(CNC[C@H](O)COc3cccc(Br)c3)[nH]c2c1 ZINC000563952542 566932286 /nfs/dbraw/zinc/93/22/86/566932286.db2.gz KQYYKLHBXUDSOO-AWEZNQCLSA-N 0 1 390.281 3.163 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000519334800 566934333 /nfs/dbraw/zinc/93/43/33/566934333.db2.gz LHYYJZCDPULXNS-OLZOCXBDSA-N 0 1 397.313 3.312 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000519334802 566934381 /nfs/dbraw/zinc/93/43/81/566934381.db2.gz LHYYJZCDPULXNS-STQMWFEESA-N 0 1 397.313 3.312 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000519342925 566934417 /nfs/dbraw/zinc/93/44/17/566934417.db2.gz OJRGEOPNXPDVFU-OAHLLOKOSA-N 0 1 382.346 3.363 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000452094479 566934753 /nfs/dbraw/zinc/93/47/53/566934753.db2.gz IUEZVNOMSKXBIT-GFCCVEGCSA-N 0 1 395.750 3.206 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cncc(Br)c1 ZINC000583274474 566935272 /nfs/dbraw/zinc/93/52/72/566935272.db2.gz DAAHXRPXDXBAOR-CXAGYDPISA-N 0 1 389.297 3.081 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000611724332 566935763 /nfs/dbraw/zinc/93/57/63/566935763.db2.gz MJKGDOPPDYPVOO-OAHLLOKOSA-N 0 1 388.339 3.492 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cccc(Br)c3)no2)[C@@H](C)C1 ZINC000564005406 566936074 /nfs/dbraw/zinc/93/60/74/566936074.db2.gz OOWGYJHZDHOUTA-BETUJISGSA-N 0 1 379.302 3.414 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000452107527 566936542 /nfs/dbraw/zinc/93/65/42/566936542.db2.gz SXAABQZPTZAOPN-GFCCVEGCSA-N 0 1 395.750 3.206 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N(C)CCCNC(=O)C1CCC1 ZINC000429544480 566936636 /nfs/dbraw/zinc/93/66/36/566936636.db2.gz AEQXOKWCCQURSI-CYBMUJFWSA-N 0 1 396.329 3.014 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Br)N(C)CCCNC(=O)C1CCC1 ZINC000429552540 566936686 /nfs/dbraw/zinc/93/66/86/566936686.db2.gz YGEDSQYLYRZKHV-CYBMUJFWSA-N 0 1 396.329 3.014 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000452105007 566937246 /nfs/dbraw/zinc/93/72/46/566937246.db2.gz NDGNBAZLKZATEB-NSHDSACASA-N 0 1 395.750 3.206 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000452109654 566937465 /nfs/dbraw/zinc/93/74/65/566937465.db2.gz YXTPNVMAORLCOX-GFCCVEGCSA-N 0 1 395.750 3.206 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000471210217 566938061 /nfs/dbraw/zinc/93/80/61/566938061.db2.gz JVYZPWJOMSXWHI-NSHDSACASA-N 0 1 385.331 3.333 20 0 GGADMN COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656729939 566938636 /nfs/dbraw/zinc/93/86/36/566938636.db2.gz CLSBYNGXMORJNS-UHFFFAOYSA-N 0 1 386.876 3.491 20 0 GGADMN CC(C)c1ncncc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000611791408 566939042 /nfs/dbraw/zinc/93/90/42/566939042.db2.gz SXVDZFXDOSWUGT-UHFFFAOYSA-N 0 1 387.241 3.400 20 0 GGADMN CC(C)c1cc(NS(=O)(=O)Cc2cc(F)ccc2Br)n[nH]1 ZINC000656728701 566939393 /nfs/dbraw/zinc/93/93/93/566939393.db2.gz RCRNWKAIFMATEY-UHFFFAOYSA-N 0 1 376.251 3.377 20 0 GGADMN C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000452127445 566939820 /nfs/dbraw/zinc/93/98/20/566939820.db2.gz SIEJJZVIBLIVOA-FIXISWKDSA-N 0 1 385.277 3.096 20 0 GGADMN CN(CC(=O)NC1(Cc2ccccc2Br)CC1)[C@H]1CCSC1 ZINC000519447236 566939899 /nfs/dbraw/zinc/93/98/99/566939899.db2.gz HOHCNONARSEJSK-AWEZNQCLSA-N 0 1 383.355 3.078 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c(C)c1 ZINC000564059445 566940274 /nfs/dbraw/zinc/94/02/74/566940274.db2.gz JLUIFNOVROWJCT-UHFFFAOYSA-N 0 1 380.853 3.397 20 0 GGADMN CC[C@@H](C(=O)NCc1cc(Br)ccn1)N(C)Cc1ccccc1 ZINC000452138100 566940674 /nfs/dbraw/zinc/94/06/74/566940674.db2.gz BRHHKSDKSWNPGB-KRWDZBQOSA-N 0 1 376.298 3.371 20 0 GGADMN C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130674 566941021 /nfs/dbraw/zinc/94/10/21/566941021.db2.gz ZYAGWOWKQVENDA-RWSFTLGLSA-N 0 1 385.277 3.096 20 0 GGADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000583327941 566941134 /nfs/dbraw/zinc/94/11/34/566941134.db2.gz LTHGVXGMAMWRJD-SFHVURJKSA-N 0 1 393.281 3.311 20 0 GGADMN Cc1ccc(C(=O)N=c2ncn(Cc3ccc(Br)cc3)[nH]2)s1 ZINC000492996441 566941678 /nfs/dbraw/zinc/94/16/78/566941678.db2.gz WAUSBPKTMWEMFF-UHFFFAOYSA-N 0 1 377.267 3.133 20 0 GGADMN COC(=O)c1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)cn1C ZINC000493029289 566941936 /nfs/dbraw/zinc/94/19/36/566941936.db2.gz VPZCULBMYRMKIC-UHFFFAOYSA-N 0 1 387.617 3.186 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000544125321 566942319 /nfs/dbraw/zinc/94/23/19/566942319.db2.gz HGBOPQDLJRBCAR-NEPJUHHUSA-N 0 1 375.296 3.444 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000544125323 566942454 /nfs/dbraw/zinc/94/24/54/566942454.db2.gz HGBOPQDLJRBCAR-RYUDHWBXSA-N 0 1 375.296 3.444 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc(Br)cc2c1OCC2 ZINC000583348723 566943189 /nfs/dbraw/zinc/94/31/89/566943189.db2.gz CJPKXKUCIRABOL-MRXNPFEDSA-N 0 1 381.314 3.265 20 0 GGADMN Cc1onc(C2CC2)c1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000583366092 566944174 /nfs/dbraw/zinc/94/41/74/566944174.db2.gz QABSUGTUXRQNRQ-UHFFFAOYSA-N 0 1 375.226 3.429 20 0 GGADMN CCn1ncc(C)c1NS(=O)(=O)c1cc(C)c(Br)cc1F ZINC000656740962 566944408 /nfs/dbraw/zinc/94/44/08/566944408.db2.gz ADNRLRGEFWNJRW-UHFFFAOYSA-N 0 1 376.251 3.222 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000564106208 566945086 /nfs/dbraw/zinc/94/50/86/566945086.db2.gz UEROHUIKUXKZEB-PBHICJAKSA-N 0 1 398.345 3.166 20 0 GGADMN O=C(CCc1c[nH]nn1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000633218198 566945384 /nfs/dbraw/zinc/94/53/84/566945384.db2.gz JGSHHTQGUCZWRN-OAHLLOKOSA-N 0 1 377.286 3.124 20 0 GGADMN O=C(CCc1cnn[nH]1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000633218198 566945389 /nfs/dbraw/zinc/94/53/89/566945389.db2.gz JGSHHTQGUCZWRN-OAHLLOKOSA-N 0 1 377.286 3.124 20 0 GGADMN COc1cc(Br)ccc1CCCN(CC(N)=O)Cc1ccccc1 ZINC000544151042 566945629 /nfs/dbraw/zinc/94/56/29/566945629.db2.gz ZDUPRCLRUKUZTG-UHFFFAOYSA-N 0 1 391.309 3.378 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000544179969 566946285 /nfs/dbraw/zinc/94/62/85/566946285.db2.gz VGPZVNHKVYGBOS-CQSZACIVSA-N 0 1 376.305 3.326 20 0 GGADMN CCn1ncc(C)c1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000656741629 566946846 /nfs/dbraw/zinc/94/68/46/566946846.db2.gz 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Cc1ccc(CS(=O)(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000519791319 566969534 /nfs/dbraw/zinc/96/95/34/566969534.db2.gz NJPUBHBOKJTRCL-UHFFFAOYSA-N 0 1 382.595 3.166 20 0 GGADMN C[C@H]1[C@H](C)N(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCN1C ZINC000544580509 566969659 /nfs/dbraw/zinc/96/96/59/566969659.db2.gz XELRPPSYRVVSAM-KBPBESRZSA-N 0 1 382.961 3.450 20 0 GGADMN CC[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccn(C)n1 ZINC000544570299 566969691 /nfs/dbraw/zinc/96/96/91/566969691.db2.gz OQZOHIUJOLSMIM-INIZCTEOSA-N 0 1 393.329 3.272 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000681366092 566970062 /nfs/dbraw/zinc/97/00/62/566970062.db2.gz WAIXZOIBZYJYKE-UHFFFAOYSA-N 0 1 381.841 3.127 20 0 GGADMN O=S(=O)(NCC1(c2ccccc2Cl)CCOCC1)c1ccccc1O ZINC000656899992 566970111 /nfs/dbraw/zinc/97/01/11/566970111.db2.gz PZHNJFRPGKFLSL-UHFFFAOYSA-N 0 1 381.881 3.072 20 0 GGADMN COC(=O)C1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCCC1 ZINC000612404496 566970447 /nfs/dbraw/zinc/97/04/47/566970447.db2.gz NVUNVNNKPZYQHP-UHFFFAOYSA-N 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O[C@@H]1CCC[C@H]1N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000681402175 566973898 /nfs/dbraw/zinc/97/38/98/566973898.db2.gz VWHXMJSIRLXHCC-QZTJIDSGSA-N 0 1 377.941 3.495 20 0 GGADMN O[C@@H]1CCC[C@@H]1N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000681402177 566974461 /nfs/dbraw/zinc/97/44/61/566974461.db2.gz VWHXMJSIRLXHCC-ZWKOTPCHSA-N 0 1 377.941 3.495 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1cccc(F)c1 ZINC000583698668 566974559 /nfs/dbraw/zinc/97/45/59/566974559.db2.gz KQQLNMJMRQKCBG-QGZVFWFLSA-N 0 1 394.240 3.479 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000544637661 566975231 /nfs/dbraw/zinc/97/52/31/566975231.db2.gz KNANTFYFZHVLDB-LBPRGKRZSA-N 0 1 379.917 3.086 20 0 GGADMN Cn1c(CNC[C@H](O)COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000564444492 566975680 /nfs/dbraw/zinc/97/56/80/566975680.db2.gz ORJBEYDFUZQWBS-ZDUSSCGKSA-N 0 1 380.275 3.410 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000583712596 566976517 /nfs/dbraw/zinc/97/65/17/566976517.db2.gz MMIHYYWHRXZGMS-MRXNPFEDSA-N 0 1 396.256 3.320 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@H]1C ZINC000544638659 566976653 /nfs/dbraw/zinc/97/66/53/566976653.db2.gz INJIAAGXKKRYSP-VXGBXAGGSA-N 0 1 379.917 3.227 20 0 GGADMN CO[C@@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C1CC1 ZINC000471774383 566976782 /nfs/dbraw/zinc/97/67/82/566976782.db2.gz SWCKIMYPUJBSBA-OAHLLOKOSA-N 0 1 384.454 3.052 20 0 GGADMN CCCc1csc(CNC[C@H](O)COc2ccccc2Br)n1 ZINC000494194245 566977081 /nfs/dbraw/zinc/97/70/81/566977081.db2.gz GGWVICUHZUAJOC-ZDUSSCGKSA-N 0 1 385.327 3.388 20 0 GGADMN O=C(NCc1c(Cl)cccc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000519902175 566977758 /nfs/dbraw/zinc/97/77/58/566977758.db2.gz ZSORDIWOYMYNFW-UHFFFAOYSA-N 0 1 386.323 3.247 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000544666427 566978131 /nfs/dbraw/zinc/97/81/31/566978131.db2.gz MSHXLARLXXJXMW-LBPRGKRZSA-N 0 1 387.807 3.382 20 0 GGADMN Cc1cc(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)n[nH]1 ZINC000681471444 566978385 /nfs/dbraw/zinc/97/83/85/566978385.db2.gz ANMHFFYDYGLJSA-UHFFFAOYSA-N 0 1 393.270 3.321 20 0 GGADMN O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000519928585 566978764 /nfs/dbraw/zinc/97/87/64/566978764.db2.gz DQVAILONKAWRMZ-HNNXBMFYSA-N 0 1 397.953 3.322 20 0 GGADMN CC(C)Oc1cc(Br)cc(C(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000452423047 566978954 /nfs/dbraw/zinc/97/89/54/566978954.db2.gz XIZBCJKYFSGPPQ-UHFFFAOYSA-N 0 1 379.258 3.162 20 0 GGADMN O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000519928586 566979335 /nfs/dbraw/zinc/97/93/35/566979335.db2.gz DQVAILONKAWRMZ-OAHLLOKOSA-N 0 1 397.953 3.322 20 0 GGADMN CC[C@H](Cc1ccccc1Br)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452421638 566979504 /nfs/dbraw/zinc/97/95/04/566979504.db2.gz QFGLNBNDMURTGB-LLVKDONJSA-N 0 1 377.286 3.330 20 0 GGADMN C[C@](N)(C(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccccc1 ZINC000583753939 566980295 /nfs/dbraw/zinc/98/02/95/566980295.db2.gz SITARMNZZPUUDR-GOSISDBHSA-N 0 1 377.257 3.347 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cscc2Br)CC1 ZINC000430102013 566980950 /nfs/dbraw/zinc/98/09/50/566980950.db2.gz IKNSTKNBVJCBKA-HIFRSBDPSA-N 0 1 388.327 3.301 20 0 GGADMN CCC[C@@H](C)C(=O)NCCNCc1cc(OC)c(OC)cc1Br ZINC000583769146 566981458 /nfs/dbraw/zinc/98/14/58/566981458.db2.gz RJMOBMROZZMXQE-GFCCVEGCSA-N 0 1 387.318 3.108 20 0 GGADMN COc1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c(Br)cc1O ZINC000681487565 566981285 /nfs/dbraw/zinc/98/12/85/566981285.db2.gz CGWPZOIOGVWECW-INIZCTEOSA-N 0 1 389.253 3.161 20 0 GGADMN COCC(=O)Nc1cccc(CN[C@@H](C)c2cncc(Br)c2)c1 ZINC000583764481 566981827 /nfs/dbraw/zinc/98/18/27/566981827.db2.gz KOBREKJRRMQPQH-LBPRGKRZSA-N 0 1 378.270 3.280 20 0 GGADMN OCCN(Cc1cccc(F)c1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000494267729 566981796 /nfs/dbraw/zinc/98/17/96/566981796.db2.gz IZOZZWQXCMXDBX-INIZCTEOSA-N 0 1 388.266 3.367 20 0 GGADMN COCCCN(C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000520043916 566982448 /nfs/dbraw/zinc/98/24/48/566982448.db2.gz ZYQQTFPRSSYZQQ-UHFFFAOYSA-N 0 1 383.208 3.375 20 0 GGADMN C[C@H](CO)N(CC1CCC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000430112180 566982879 /nfs/dbraw/zinc/98/28/79/566982879.db2.gz WOTINIKKIRRKMD-GFCCVEGCSA-N 0 1 392.297 3.462 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)Oc2ccc(Br)cc2)n[nH]1 ZINC000612600144 566982868 /nfs/dbraw/zinc/98/28/68/566982868.db2.gz FQGDWPGRHYCLAU-LLVKDONJSA-N 0 1 380.286 3.385 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000520018017 566982878 /nfs/dbraw/zinc/98/28/78/566982878.db2.gz UTQIOKRFTAZXST-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN OCCN(Cc1cccc(F)c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000494290357 566983597 /nfs/dbraw/zinc/98/35/97/566983597.db2.gz KVTDIQUNWZJAQL-HNNXBMFYSA-N 0 1 388.266 3.367 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)N1CCCC[C@@H]1C ZINC000471930313 566986761 /nfs/dbraw/zinc/98/67/61/566986761.db2.gz XLDFOYROSQXTIQ-STQMWFEESA-N 0 1 387.933 3.128 20 0 GGADMN COc1cc(CN[C@@H]2CCC[C@@H]2F)cc(I)c1OC ZINC000583818798 566987090 /nfs/dbraw/zinc/98/70/90/566987090.db2.gz VQAWEJRJURHVQW-CMPLNLGQSA-N 0 1 379.213 3.289 20 0 GGADMN COc1cc2nccc(NCCc3nnc(C)s3)c2cc1Br ZINC000564561225 566987596 /nfs/dbraw/zinc/98/75/96/566987596.db2.gz NJUXOIWZPYVUCY-UHFFFAOYSA-N 0 1 379.283 3.242 20 0 GGADMN CN(CC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)[C@@H]1CCSC1 ZINC000452532796 566988837 /nfs/dbraw/zinc/98/88/37/566988837.db2.gz PZAWXXFGFPSUAC-GFCCVEGCSA-N 0 1 393.500 3.305 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1OC ZINC000471969605 566989972 /nfs/dbraw/zinc/98/99/72/566989972.db2.gz SXTLUHAAAHYASU-UHFFFAOYSA-N 0 1 375.805 3.311 20 0 GGADMN O=C(c1ccc(CNCc2csc(Br)c2)cc1)N1CCOCC1 ZINC000520217890 566989982 /nfs/dbraw/zinc/98/99/82/566989982.db2.gz LXQBLGNONNQGRM-UHFFFAOYSA-N 0 1 395.322 3.273 20 0 GGADMN C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000544748135 566990560 /nfs/dbraw/zinc/99/05/60/566990560.db2.gz BNAILWOCGSVWTD-ZIAGYGMSSA-N 0 1 378.460 3.431 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000471970250 566990657 /nfs/dbraw/zinc/99/06/57/566990657.db2.gz WZXHCVCSSVTKMF-UHFFFAOYSA-N 0 1 375.805 3.011 20 0 GGADMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1NCCc2ccccc21 ZINC000583872793 566990689 /nfs/dbraw/zinc/99/06/89/566990689.db2.gz GKKWJXDDSSASHH-RDJZCZTQSA-N 0 1 391.240 3.025 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000471971041 566990750 /nfs/dbraw/zinc/99/07/50/566990750.db2.gz RKHZZCNRWXKCMM-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN CSc1cccc(C)c1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000471990340 566992618 /nfs/dbraw/zinc/99/26/18/566992618.db2.gz DLSCNXCXJPWZDW-UHFFFAOYSA-N 0 1 389.495 3.060 20 0 GGADMN C[C@@H](C(=O)N(C)c1ccccc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000520263796 566993367 /nfs/dbraw/zinc/99/33/67/566993367.db2.gz JITBJEYGQZFHTP-AWEZNQCLSA-N 0 1 391.313 3.334 20 0 GGADMN O=S(=O)(c1ccccc1O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000657001626 566993957 /nfs/dbraw/zinc/99/39/57/566993957.db2.gz UROZCSSHVYNEEL-UHFFFAOYSA-N 0 1 392.424 3.436 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000520291973 566995572 /nfs/dbraw/zinc/99/55/72/566995572.db2.gz QXUXSYMLGAWOQX-UHFFFAOYSA-N 0 1 388.269 3.308 20 0 GGADMN COc1ncccc1CCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000520293671 566995718 /nfs/dbraw/zinc/99/57/18/566995718.db2.gz GJJQGVKMRFWIPQ-UHFFFAOYSA-N 0 1 378.263 3.310 20 0 GGADMN Cc1cccc2nc(CNC[C@H](O)COc3ccc(Cl)cc3Cl)cn21 ZINC000583930251 566995867 /nfs/dbraw/zinc/99/58/67/566995867.db2.gz VRYFUNPECCERKS-HNNXBMFYSA-N 0 1 380.275 3.479 20 0 GGADMN C[C@H]1CN(C([O-])=[NH+]c2ccncc2I)c2ccccc21 ZINC000612755274 566996096 /nfs/dbraw/zinc/99/60/96/566996096.db2.gz HODYPKFTBQMAGO-JTQLQIEISA-N 0 1 379.201 3.264 20 0 GGADMN O=C(NCC1CC1)[C@@H]1CCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000564662098 566996168 /nfs/dbraw/zinc/99/61/68/566996168.db2.gz VLTRJMNTPVGALU-CYBMUJFWSA-N 0 1 392.297 3.329 20 0 GGADMN CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cccc(Br)c1O ZINC000520330671 566997027 /nfs/dbraw/zinc/99/70/27/566997027.db2.gz BKXQGTMQXNUYGV-QGZVFWFLSA-N 0 1 384.270 3.493 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cn1C ZINC000544816387 566997564 /nfs/dbraw/zinc/99/75/64/566997564.db2.gz CENYUNBXRHWZNU-UHFFFAOYSA-N 0 1 377.249 3.309 20 0 GGADMN O=S(=O)(c1ccccc1O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000657010280 566997796 /nfs/dbraw/zinc/99/77/96/566997796.db2.gz YKGANGBAESMTBV-CYBMUJFWSA-N 0 1 383.267 3.076 20 0 GGADMN O=C(Nc1nc2cc(Br)ccc2[nH]1)c1c[nH]nc1-c1ccncc1 ZINC000472074374 566997969 /nfs/dbraw/zinc/99/79/69/566997969.db2.gz NICNZHVPANLUQW-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3cc(Br)ccc23)[C@@H](C)C1 ZINC000583958121 566998210 /nfs/dbraw/zinc/99/82/10/566998210.db2.gz BNMWWSMHPHKDSG-BETUJISGSA-N 0 1 378.314 3.414 20 0 GGADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000681682763 566999069 /nfs/dbraw/zinc/99/90/69/566999069.db2.gz OQKDEAAZWDDPKM-ZDUSSCGKSA-N 0 1 382.835 3.121 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H](C)O1 ZINC000520350393 566999507 /nfs/dbraw/zinc/99/95/07/566999507.db2.gz UPMDGBGXONIKNA-RISCZKNCSA-N 0 1 378.270 3.479 20 0 GGADMN O=S(=O)(c1ccccc1O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000657018148 566999813 /nfs/dbraw/zinc/99/98/13/566999813.db2.gz OBRDHPJCZDDZDB-UHFFFAOYSA-N 0 1 378.519 3.296 20 0 GGADMN CCOc1c(Br)cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1OC ZINC000583976715 567000083 /nfs/dbraw/zinc/00/00/83/567000083.db2.gz SEBZQACBJJKCIT-DZGCQCFKSA-N 0 1 397.313 3.099 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430214721 567000472 /nfs/dbraw/zinc/00/04/72/567000472.db2.gz BFHVGGLHMQJJLL-YXJHDRRASA-N 0 1 386.330 3.307 20 0 GGADMN Cc1cc(CNC(=O)NCCc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000633865136 567000547 /nfs/dbraw/zinc/00/05/47/567000547.db2.gz DTCRBZMQORDBFV-UHFFFAOYSA-N 0 1 376.258 3.004 20 0 GGADMN CCS(=O)(=O)NCCCN1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430216384 567000552 /nfs/dbraw/zinc/00/05/52/567000552.db2.gz GSEZRUJDZZJEAS-INIZCTEOSA-N 0 1 389.359 3.224 20 0 GGADMN C[C@](O)(C1CCN(C[C@@H](O)COc2ccccc2Cl)CC1)C(F)(F)F ZINC000564701674 567000734 /nfs/dbraw/zinc/00/07/34/567000734.db2.gz LBGMMARJSSPOMS-CJNGLKHVSA-N 0 1 381.822 3.105 20 0 GGADMN O=C1Nc2ccccc2[C@@]12CCN(Cc1cn3cc(Br)ccc3n1)C2 ZINC000681698074 567001076 /nfs/dbraw/zinc/00/10/76/567001076.db2.gz PTOIFHXMDGINMS-IBGZPJMESA-N 0 1 397.276 3.193 20 0 GGADMN C[C@H](O)CN1CCN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000494436574 567001586 /nfs/dbraw/zinc/00/15/86/567001586.db2.gz QUHZIMCOWHYESK-AWEZNQCLSA-N 0 1 379.298 3.208 20 0 GGADMN CN1C[C@H](NC(=O)c2cccc(Br)c2F)[C@@H](c2ccccc2)C1 ZINC000430256228 567002172 /nfs/dbraw/zinc/00/21/72/567002172.db2.gz IKGPFPCZSICOLZ-ZBFHGGJFSA-N 0 1 377.257 3.416 20 0 GGADMN Brc1cccc2c1C[C@H](NCc1nnnn1-c1ccccc1)CC2 ZINC000584000651 567002681 /nfs/dbraw/zinc/00/26/81/567002681.db2.gz QXVQQIIGJSNQPC-CQSZACIVSA-N 0 1 384.281 3.072 20 0 GGADMN O=C(NC1CC1)N[C@H]1CCN([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000544880491 567003701 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Cc1ccc([C@@H](N)C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000430592994 567023148 /nfs/dbraw/zinc/02/31/48/567023148.db2.gz RMWULIDDNADOFT-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN CN(CC(=O)N1CC[C@@H](c2cccc(Br)c2)C1)[C@H]1CCSC1 ZINC000452846739 567024113 /nfs/dbraw/zinc/02/41/13/567024113.db2.gz MLLSJVMTZBBXIO-ZBFHGGJFSA-N 0 1 383.355 3.202 20 0 GGADMN COCCN1CC[C@@H](NC(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000520766074 567024323 /nfs/dbraw/zinc/02/43/23/567024323.db2.gz INHNQRVSOXWZKZ-OAHLLOKOSA-N 0 1 378.925 3.422 20 0 GGADMN CC1(C)CN(CCSc2ccnc3cc(Cl)ccc32)CC[N@@H+]1CCO ZINC000682033938 567024672 /nfs/dbraw/zinc/02/46/72/567024672.db2.gz AXQYXRBJPLUGIQ-UHFFFAOYSA-N 0 1 379.957 3.369 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCSCc2ccccc2)c1 ZINC000472417949 567025090 /nfs/dbraw/zinc/02/50/90/567025090.db2.gz GNBOOPCBJINSAA-UHFFFAOYSA-N 0 1 379.503 3.448 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)c2csc(=NC3CC3)[nH]2)cc1Br ZINC000494819235 567025380 /nfs/dbraw/zinc/02/53/80/567025380.db2.gz 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CCc1nc([C@H](C)NC(=O)c2cc(Cl)c(Br)cc2OC)n[nH]1 ZINC000565026990 567031839 /nfs/dbraw/zinc/03/18/39/567031839.db2.gz GEQFDVOBFGBUGL-ZETCQYMHSA-N 0 1 387.665 3.283 20 0 GGADMN CCn1c(Cc2cc(C)n[nH]2)nnc1N1Cc2cccc(Br)c2C1 ZINC000634353172 567031977 /nfs/dbraw/zinc/03/19/77/567031977.db2.gz VTGJZIUDYCKOPR-UHFFFAOYSA-N 0 1 387.285 3.203 20 0 GGADMN Cc1cccc(Br)c1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000584324613 567032508 /nfs/dbraw/zinc/03/25/08/567032508.db2.gz XXHRAIJVJZFQKW-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN CNC(=O)[C@@]1(C)CCN(Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000430773709 567034778 /nfs/dbraw/zinc/03/47/78/567034778.db2.gz WLNLZMMPGFSVAH-AWEZNQCLSA-N 0 1 379.220 3.426 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000472577755 567037298 /nfs/dbraw/zinc/03/72/98/567037298.db2.gz CIHPPAXBPUEDFP-OAHLLOKOSA-N 0 1 387.343 3.006 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000565102134 567037575 /nfs/dbraw/zinc/03/75/75/567037575.db2.gz AQJFLNGLNJCTRP-QGZVFWFLSA-N 0 1 395.253 3.027 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N(C)Cc3cccs3)c12 ZINC000521050607 567037927 /nfs/dbraw/zinc/03/79/27/567037927.db2.gz VOPNMTKYJDPLCI-UHFFFAOYSA-N 0 1 376.507 3.457 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000565102131 567037969 /nfs/dbraw/zinc/03/79/69/567037969.db2.gz AQJFLNGLNJCTRP-KRWDZBQOSA-N 0 1 395.253 3.027 20 0 GGADMN Cc1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(Br)cc2)on1 ZINC000613456797 567038008 /nfs/dbraw/zinc/03/80/08/567038008.db2.gz QDOWLFFWOPBCNW-ZBFHGGJFSA-N 0 1 381.270 3.322 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)Cc1cc(=O)c(OC)co1 ZINC000472586759 567038033 /nfs/dbraw/zinc/03/80/33/567038033.db2.gz SDYDZZWHLKZTGQ-UHFFFAOYSA-N 0 1 382.254 3.312 20 0 GGADMN CC(C)S(=O)(=O)Cc1ccc(N[C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000565089487 567038149 /nfs/dbraw/zinc/03/81/49/567038149.db2.gz RJGWKCNQVFLEAL-INIZCTEOSA-N 0 1 376.507 3.391 20 0 GGADMN COc1ccccc1CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000584376682 567038831 /nfs/dbraw/zinc/03/88/31/567038831.db2.gz BRABBVBLTVQVAE-UHFFFAOYSA-N 0 1 375.368 3.240 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000584397971 567039484 /nfs/dbraw/zinc/03/94/84/567039484.db2.gz VUSBWEJWNHUYSQ-LBPRGKRZSA-N 0 1 384.270 3.297 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@]1(C)C(=O)[O-] ZINC000565111768 567040070 /nfs/dbraw/zinc/04/00/70/567040070.db2.gz OPKBKXAZBGZMFH-HWPZZCPQSA-N 0 1 380.242 3.042 20 0 GGADMN Cc1[nH]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC000634614198 567040056 /nfs/dbraw/zinc/04/00/56/567040056.db2.gz VYNFTVVPTXIPKQ-TVQRCGJNSA-N 0 1 394.802 3.132 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c(Br)c1 ZINC000521085701 567040311 /nfs/dbraw/zinc/04/03/11/567040311.db2.gz ZADJSIIZHLFNBW-AWEZNQCLSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(I)cc1Cl ZINC000565110330 567040170 /nfs/dbraw/zinc/04/01/70/567040170.db2.gz NZROBIVOIIMVSF-KWQFWETISA-N 0 1 379.625 3.240 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(I)cc1Cl ZINC000565110330 567040181 /nfs/dbraw/zinc/04/01/81/567040181.db2.gz NZROBIVOIIMVSF-KWQFWETISA-N 0 1 379.625 3.240 20 0 GGADMN Cc1[nH]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC000634614199 567040715 /nfs/dbraw/zinc/04/07/15/567040715.db2.gz VYNFTVVPTXIPKQ-ZANVPECISA-N 0 1 394.802 3.132 20 0 GGADMN COc1ccc(C[S@](=O)Cc2n[nH]c(C(C)(C)C)n2)cc1Br ZINC000430926591 567040864 /nfs/dbraw/zinc/04/08/64/567040864.db2.gz OIAYKEDIPSYXCO-QFIPXVFZSA-N 0 1 386.315 3.322 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cc1ccccc1 ZINC000565112396 567041037 /nfs/dbraw/zinc/04/10/37/567041037.db2.gz SHIIFYKXWQEPAL-GOSISDBHSA-N 0 1 392.293 3.329 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000472604123 567042036 /nfs/dbraw/zinc/04/20/36/567042036.db2.gz UYLLLQHWQPYWLH-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN O=c1c2c([n-]n1-c1cncc(Br)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000634621005 567042488 /nfs/dbraw/zinc/04/24/88/567042488.db2.gz WPBKSNJIILVLCO-INIZCTEOSA-N 0 1 385.265 3.069 20 0 GGADMN CN(C)[C@@H](CN1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C1=O)c1cccs1 ZINC000430951008 567042424 /nfs/dbraw/zinc/04/24/24/567042424.db2.gz JSDJCDGXXYYPDH-ZFWWWQNUSA-N 0 1 381.860 3.436 20 0 GGADMN CC[NH+](CC)[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CC(C)C ZINC000545357032 567043302 /nfs/dbraw/zinc/04/33/02/567043302.db2.gz STFPMSGXZINYNK-LBPRGKRZSA-N 0 1 381.336 3.077 20 0 GGADMN Cc1nc(NS(=O)(=O)c2c3c(nn2C)CCCC3)c(Cl)cc1Cl ZINC000634656971 567044332 /nfs/dbraw/zinc/04/43/32/567044332.db2.gz OXJKQWMYEOLWDK-UHFFFAOYSA-N 0 1 375.281 3.110 20 0 GGADMN CCCCn1cc(S(=O)(=O)Nc2ncc(C)cc2Br)c(C)n1 ZINC000634656655 567044417 /nfs/dbraw/zinc/04/44/17/567044417.db2.gz YRBXUOGDMOGXFN-UHFFFAOYSA-N 0 1 387.303 3.258 20 0 GGADMN COc1cccc(Nc2nnc(SCc3n[nH]c(C(C)(C)C)n3)s2)c1 ZINC000430989859 567044418 /nfs/dbraw/zinc/04/44/18/567044418.db2.gz UIGHLFIMNKMYBG-UHFFFAOYSA-N 0 1 376.511 3.420 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2csc(Cl)c2)CC1 ZINC000682437904 567044371 /nfs/dbraw/zinc/04/43/71/567044371.db2.gz FSNNQYDDSJFKSY-UHFFFAOYSA-N 0 1 377.897 3.432 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCOCC1 ZINC000584473257 567045016 /nfs/dbraw/zinc/04/50/16/567045016.db2.gz VIQHFDRPBVOIGE-UHFFFAOYSA-N 0 1 395.670 3.151 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1Br ZINC000565160843 567045013 /nfs/dbraw/zinc/04/50/13/567045013.db2.gz FGXVMGBUFGUZLW-INIZCTEOSA-N 0 1 396.329 3.476 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000495111223 567045460 /nfs/dbraw/zinc/04/54/60/567045460.db2.gz VYHJANSNBOWTTK-GFCCVEGCSA-N 0 1 397.595 3.167 20 0 GGADMN O=S(=O)(Cc1n[nH]c(C2CC2)n1)c1ccc(Br)c(Cl)c1 ZINC000453030166 567046311 /nfs/dbraw/zinc/04/63/11/567046311.db2.gz FEYHWGCPYMRXIH-UHFFFAOYSA-N 0 1 376.663 3.072 20 0 GGADMN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCCN1C1CC1 ZINC000495099724 567046251 /nfs/dbraw/zinc/04/62/51/567046251.db2.gz RROSCSRUVFWIQL-KSSFIOAISA-N 0 1 392.341 3.018 20 0 GGADMN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cc(F)cc2nc[nH]c21 ZINC000584487549 567046451 /nfs/dbraw/zinc/04/64/51/567046451.db2.gz JIIPFVYXUFOYDR-AWEZNQCLSA-N 0 1 396.191 3.067 20 0 GGADMN CSc1n[nH]c(NC(=O)c2ccc(I)c(Cl)c2)n1 ZINC000495096832 567046690 /nfs/dbraw/zinc/04/66/90/567046690.db2.gz CXTILVFOEYPLLA-UHFFFAOYSA-N 0 1 394.625 3.037 20 0 GGADMN COCCN(Cc1cc(Br)cs1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000565193030 567046993 /nfs/dbraw/zinc/04/69/93/567046993.db2.gz SQRMPLUQGGWIIV-NSHDSACASA-N 0 1 386.315 3.088 20 0 GGADMN O=C(Cc1ccc(Br)c(Cl)c1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000682472578 567047527 /nfs/dbraw/zinc/04/75/27/567047527.db2.gz UGLQEYRVSBUHSK-UHFFFAOYSA-N 0 1 392.644 3.464 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1nc2c(s1)CCC2 ZINC000521215338 567048543 /nfs/dbraw/zinc/04/85/43/567048543.db2.gz GBYSUXSPAVDRNQ-MRVPVSSYSA-N 0 1 392.424 3.396 20 0 GGADMN O=S(=O)(Nc1ncc2c(n1)CCOC2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000634660556 567048404 /nfs/dbraw/zinc/04/84/04/567048404.db2.gz RFTFKOMRZOJMJA-UHFFFAOYSA-N 0 1 393.774 3.022 20 0 GGADMN Cc1nccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)c1Br ZINC000584504727 567048755 /nfs/dbraw/zinc/04/87/55/567048755.db2.gz XXMOYRHVPNJSIY-LLVKDONJSA-N 0 1 377.286 3.165 20 0 GGADMN Brc1cc(CNCc2ccnn2CC2CC2)cc2c1OCCO2 ZINC000657333937 567049815 /nfs/dbraw/zinc/04/98/15/567049815.db2.gz FOHSALGRJSVMNG-UHFFFAOYSA-N 0 1 378.270 3.117 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)Cc2ccc(F)c(Cl)c2)o1 ZINC000431069074 567050617 /nfs/dbraw/zinc/05/06/17/567050617.db2.gz FCYZTSVDCHIQOQ-UHFFFAOYSA-N 0 1 388.892 3.274 20 0 GGADMN CCSc1cccc(Br)c1NS(=O)(=O)c1c(C)onc1N ZINC000584533262 567050771 /nfs/dbraw/zinc/05/07/71/567050771.db2.gz VFGHQPWRGWJBRV-UHFFFAOYSA-N 0 1 392.300 3.071 20 0 GGADMN O=C1[C@@H](NCc2cc3cc(Br)ccc3o2)CCN1C1CCOCC1 ZINC000657385361 567050846 /nfs/dbraw/zinc/05/08/46/567050846.db2.gz VBKUWWDEQLFWER-INIZCTEOSA-N 0 1 393.281 3.065 20 0 GGADMN O=S(=O)(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cccc(F)c1 ZINC000565267858 567051492 /nfs/dbraw/zinc/05/14/92/567051492.db2.gz WCVGUGRHJWEXSN-UHFFFAOYSA-N 0 1 388.823 3.256 20 0 GGADMN CC[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1cc(F)cc(Br)c1 ZINC000613645527 567051533 /nfs/dbraw/zinc/05/15/33/567051533.db2.gz IDJIREBYBOHDIR-QWHCGFSZSA-N 0 1 381.249 3.394 20 0 GGADMN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@H]1CCCc2n[nH]nc21 ZINC000613638564 567051765 /nfs/dbraw/zinc/05/17/65/567051765.db2.gz WLUICEPDJPDSCX-DZGCQCFKSA-N 0 1 393.260 3.394 20 0 GGADMN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@@H]1CCCc2n[nH]nc21 ZINC000613638566 567052015 /nfs/dbraw/zinc/05/20/15/567052015.db2.gz WLUICEPDJPDSCX-UKRRQHHQSA-N 0 1 393.260 3.394 20 0 GGADMN C[NH+](C)Cc1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000545455100 567052115 /nfs/dbraw/zinc/05/21/15/567052115.db2.gz ZBKBKCILDQTYHT-UHFFFAOYSA-N 0 1 396.228 3.311 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C1CCC1 ZINC000565255074 567052325 /nfs/dbraw/zinc/05/23/25/567052325.db2.gz QCXREEGKQGAAHP-LLVKDONJSA-N 0 1 384.270 3.438 20 0 GGADMN CO[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000565253161 567052623 /nfs/dbraw/zinc/05/26/23/567052623.db2.gz GUEXJAFWEIGRCC-VXGBXAGGSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000565253161 567052629 /nfs/dbraw/zinc/05/26/29/567052629.db2.gz GUEXJAFWEIGRCC-VXGBXAGGSA-N 0 1 394.212 3.115 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2sc(C)nc2C)c1 ZINC000545447457 567052795 /nfs/dbraw/zinc/05/27/95/567052795.db2.gz RGIHOOIEELFOCO-UHFFFAOYSA-N 0 1 377.285 3.332 20 0 GGADMN CC(C)[C@@H](NCc1cc2cc(Br)ccc2o1)C(=O)N1CCOCC1 ZINC000657392111 567053221 /nfs/dbraw/zinc/05/32/21/567053221.db2.gz SCXMDNFDRUKRDV-QGZVFWFLSA-N 0 1 395.297 3.168 20 0 GGADMN CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000634692586 567053689 /nfs/dbraw/zinc/05/36/89/567053689.db2.gz DHHPZODPWXOESC-OWCLPIDISA-N 0 1 382.298 3.364 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)cn1C ZINC000545474521 567053665 /nfs/dbraw/zinc/05/36/65/567053665.db2.gz JXCFYDLICTXKTR-UHFFFAOYSA-N 0 1 390.433 3.003 20 0 GGADMN O[C@H](CNCc1ccc(F)c(F)c1F)COc1ccccc1Br ZINC000657400346 567053840 /nfs/dbraw/zinc/05/38/40/567053840.db2.gz SGXSUPPAWWUVEY-LLVKDONJSA-N 0 1 390.199 3.396 20 0 GGADMN C[C@@](N)(C(=O)NCCCNc1cccc(F)c1)c1ccc(Br)cc1 ZINC000565302152 567055217 /nfs/dbraw/zinc/05/52/17/567055217.db2.gz CYHBLFRAHWWZHU-SFHVURJKSA-N 0 1 394.288 3.381 20 0 GGADMN O[C@@H](CNCc1nc2c(cccc2Br)[nH]1)COCc1cccs1 ZINC000565300586 567055292 /nfs/dbraw/zinc/05/52/92/567055292.db2.gz UXMLKQXJFASXEW-NSHDSACASA-N 0 1 396.310 3.054 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(n2cc(Br)cn2)CC1 ZINC000521348478 567055748 /nfs/dbraw/zinc/05/57/48/567055748.db2.gz LVQRRVGRAIDBKH-ZBFHGGJFSA-N 0 1 397.361 3.462 20 0 GGADMN C[NH+](C)CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1 ZINC000545490613 567055965 /nfs/dbraw/zinc/05/59/65/567055965.db2.gz MAXWHGZMFCIUFV-UHFFFAOYSA-N 0 1 399.713 3.004 20 0 GGADMN O=C(c1csc([C@H]2CCCO2)n1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000584585204 567057189 /nfs/dbraw/zinc/05/71/89/567057189.db2.gz CTSXTKYYSFOHMP-HZPDHXFCSA-N 0 1 377.897 3.435 20 0 GGADMN Brc1ccc(-c2nnc(N3CCN(C4CC4)CC3)n2C2CC2)s1 ZINC000565309470 567057343 /nfs/dbraw/zinc/05/73/43/567057343.db2.gz JNVUORZDKCPTBB-UHFFFAOYSA-N 0 1 394.342 3.388 20 0 GGADMN OC[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000584658390 567057487 /nfs/dbraw/zinc/05/74/87/567057487.db2.gz JJWAHYZAAXLBHB-QGZVFWFLSA-N 0 1 382.913 3.253 20 0 GGADMN CCc1ncc(S(=O)(=O)N(c2cccc(F)c2)C2CCN(C)CC2)s1 ZINC000521378673 567057779 /nfs/dbraw/zinc/05/77/79/567057779.db2.gz ZNRPYNAIIDCBHS-UHFFFAOYSA-N 0 1 383.514 3.134 20 0 GGADMN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(F)c(I)c2)C1=O ZINC000453151849 567057879 /nfs/dbraw/zinc/05/78/79/567057879.db2.gz WNBQGKDGHYKJKY-HZMBPMFUSA-N 0 1 390.240 3.090 20 0 GGADMN CN(CC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)[C@H]1CCSC1 ZINC000495355456 567059366 /nfs/dbraw/zinc/05/93/66/567059366.db2.gz JNEVFXKWJJOABI-HOTGVXAUSA-N 0 1 382.957 3.395 20 0 GGADMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(F)cc(F)c2F)c(F)c1 ZINC000431161692 567059548 /nfs/dbraw/zinc/05/95/48/567059548.db2.gz ORNUPOVYHWPAKC-UHFFFAOYSA-N 0 1 380.294 3.141 20 0 GGADMN CC(=O)Nc1cc(NS(=O)(=O)c2cncc(OC(C)C)c2)ccc1Cl ZINC000634787668 567059749 /nfs/dbraw/zinc/05/97/49/567059749.db2.gz KPVLRNBPNSESBQ-UHFFFAOYSA-N 0 1 383.857 3.281 20 0 GGADMN CC(C)O[C@@]1(CS(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)CCOC1 ZINC000634788759 567059891 /nfs/dbraw/zinc/05/98/91/567059891.db2.gz IGXBSDYMQULMIB-AWEZNQCLSA-N 0 1 385.379 3.170 20 0 GGADMN O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)CC2CCC(C(F)(F)F)CC2)C1 ZINC000473039315 567060277 /nfs/dbraw/zinc/06/02/77/567060277.db2.gz VGOSBRUKPVHZGX-CKUJCDMFSA-N 0 1 383.476 3.023 20 0 GGADMN Cc1c(Br)cncc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000657472066 567060675 /nfs/dbraw/zinc/06/06/75/567060675.db2.gz HLIWBDGBHAVFJO-KRWDZBQOSA-N 0 1 376.298 3.331 20 0 GGADMN COc1ccc(Br)cc1C[C@@H](CO)CNCc1nccn1C(C)C ZINC000657485667 567060816 /nfs/dbraw/zinc/06/08/16/567060816.db2.gz PHYBYKIEAPWXJE-CQSZACIVSA-N 0 1 396.329 3.176 20 0 GGADMN Cn1nccc1N1CCC[C@H](N[C@H]2CCc3c2cc(Cl)cc3Cl)C1=O ZINC000584695326 567061531 /nfs/dbraw/zinc/06/15/31/567061531.db2.gz UFAJYBJXOCFPGE-HOTGVXAUSA-N 0 1 379.291 3.499 20 0 GGADMN O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000431164967 567062096 /nfs/dbraw/zinc/06/20/96/567062096.db2.gz BJIPCHHNZRGARW-UKRRQHHQSA-N 0 1 383.275 3.281 20 0 GGADMN CSc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000657508109 567062326 /nfs/dbraw/zinc/06/23/26/567062326.db2.gz ROYXKBYYWKWSRI-CQSZACIVSA-N 0 1 397.953 3.481 20 0 GGADMN O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)CC2CCC(C(F)(F)F)CC2)C1 ZINC000473039324 567062465 /nfs/dbraw/zinc/06/24/65/567062465.db2.gz VGOSBRUKPVHZGX-QDIHITRGSA-N 0 1 383.476 3.023 20 0 GGADMN CSc1c(F)cc(NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)cc1F ZINC000634791279 567062435 /nfs/dbraw/zinc/06/24/35/567062435.db2.gz RTYMURJFBKLRRK-HNNXBMFYSA-N 0 1 381.466 3.013 20 0 GGADMN C[S@](=O)c1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000613799320 567062690 /nfs/dbraw/zinc/06/26/90/567062690.db2.gz KKFFYTNFCWLZKQ-QFIPXVFZSA-N 0 1 378.251 3.315 20 0 GGADMN CSc1c(F)cc(NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)cc1F ZINC000634791280 567062673 /nfs/dbraw/zinc/06/26/73/567062673.db2.gz RTYMURJFBKLRRK-OAHLLOKOSA-N 0 1 381.466 3.013 20 0 GGADMN C[C@@H]1CN(C(=O)c2c(Cl)cccc2Br)CCN1CC(C)(C)O ZINC000613789883 567062774 /nfs/dbraw/zinc/06/27/74/567062774.db2.gz HDNRHDGJYHYZLO-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1Cl ZINC000431181717 567063094 /nfs/dbraw/zinc/06/30/94/567063094.db2.gz SRHFFJIHMRJYCH-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN Brc1ccc2oc(CNCc3n[nH]c([C@H]4CCCO4)n3)cc2c1 ZINC000657505958 567063614 /nfs/dbraw/zinc/06/36/14/567063614.db2.gz XPKOQSDFZFYQKS-CQSZACIVSA-N 0 1 377.242 3.455 20 0 GGADMN O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000584716338 567063708 /nfs/dbraw/zinc/06/37/08/567063708.db2.gz UVEAPCWJYAHAKQ-ZETCQYMHSA-N 0 1 388.628 3.381 20 0 GGADMN COc1ccc2c(c1)C[C@H](N[C@@H](CCO)c1ccccc1Br)CO2 ZINC000453202092 567063820 /nfs/dbraw/zinc/06/38/20/567063820.db2.gz YJSUQYZDDOMZHE-KSSFIOAISA-N 0 1 392.293 3.475 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCN(C2CCC2)CC1 ZINC000431195960 567064999 /nfs/dbraw/zinc/06/49/99/567064999.db2.gz ZDCQOWMBODFEBD-DOTOQJQBSA-N 0 1 378.314 3.185 20 0 GGADMN C[C@H](NC1CCC(CS(C)(=O)=O)CC1)c1ncc(Br)s1 ZINC000453230667 567065484 /nfs/dbraw/zinc/06/54/84/567065484.db2.gz DKRVYLZQOHNUHD-WHXUTIOJSA-N 0 1 381.361 3.160 20 0 GGADMN COc1cc(Br)ccc1CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000565434699 567066590 /nfs/dbraw/zinc/06/65/90/567066590.db2.gz XAZDMXRBJWNQAE-LBPRGKRZSA-N 0 1 380.286 3.108 20 0 GGADMN COCc1ccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000545633761 567066625 /nfs/dbraw/zinc/06/66/25/567066625.db2.gz OWIVDWHPYLJMBT-UHFFFAOYSA-N 0 1 399.881 3.076 20 0 GGADMN C[C@@H](NCCn1cc(Br)ccc1=O)c1nc2c(s1)CCCC2 ZINC000453252354 567066870 /nfs/dbraw/zinc/06/68/70/567066870.db2.gz OKTJOCYKVXQGEP-LLVKDONJSA-N 0 1 382.327 3.297 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000431227065 567066911 /nfs/dbraw/zinc/06/69/11/567066911.db2.gz ZAPOZRQQPNNIRQ-KRWDZBQOSA-N 0 1 384.904 3.071 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(CCOc3ccc(Cl)cc3Br)C2)n1 ZINC000584766783 567068327 /nfs/dbraw/zinc/06/83/27/567068327.db2.gz KIMKWWATEGMTSS-LLVKDONJSA-N 0 1 385.693 3.397 20 0 GGADMN COc1cc(CN[C@@H]2COc3ccc(F)cc3C2)c(Br)cc1O ZINC000565445137 567068383 /nfs/dbraw/zinc/06/83/83/567068383.db2.gz WMBNVHSDPVNOLP-ZDUSSCGKSA-N 0 1 382.229 3.396 20 0 GGADMN Cc1n[nH]c([C@H]2CCN(CCOc3ccc(Cl)cc3Br)C2)n1 ZINC000584766785 567068904 /nfs/dbraw/zinc/06/89/04/567068904.db2.gz KIMKWWATEGMTSS-NSHDSACASA-N 0 1 385.693 3.397 20 0 GGADMN CC[C@H](C)[C@@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000453263503 567068850 /nfs/dbraw/zinc/06/88/50/567068850.db2.gz HKCVHBXGWJOKTM-TUKIKUTGSA-N 0 1 390.343 3.318 20 0 GGADMN O=C(Cc1csc2ccc(Br)cc12)NCCN1CCCOCC1 ZINC000473213055 567069079 /nfs/dbraw/zinc/06/90/79/567069079.db2.gz DETVEXQEPDKKQE-UHFFFAOYSA-N 0 1 397.338 3.045 20 0 GGADMN C[C@H](NCCC(=O)Nc1cccc(Br)c1)c1nnc2ccccn21 ZINC000565447196 567069150 /nfs/dbraw/zinc/06/91/50/567069150.db2.gz JOFQZUUYKVPLHR-LBPRGKRZSA-N 0 1 388.269 3.171 20 0 GGADMN CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)CCc2ccc(Cl)s2)CC1 ZINC000453286839 567072655 /nfs/dbraw/zinc/07/26/55/567072655.db2.gz RIBKLTOGTIHQHO-RZFZLAGVSA-N 0 1 391.986 3.499 20 0 GGADMN CN(CC1CC1)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000613929301 567072858 /nfs/dbraw/zinc/07/28/58/567072858.db2.gz ZHVLIAWQTMCJNE-UHFFFAOYSA-N 0 1 381.299 3.195 20 0 GGADMN CC(C)Sc1n[nH]c(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000682806915 567072880 /nfs/dbraw/zinc/07/28/80/567072880.db2.gz GGQHOGSZYFDCKG-UHFFFAOYSA-N 0 1 396.416 3.146 20 0 GGADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(F)c(I)c1 ZINC000453287080 567072996 /nfs/dbraw/zinc/07/29/96/567072996.db2.gz YVEOYPGCRRPEIL-QMMMGPOBSA-N 0 1 386.212 3.277 20 0 GGADMN CCc1nc2c(s1)[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000453295425 567073023 /nfs/dbraw/zinc/07/30/23/567073023.db2.gz GGLKIDMSEXIJMS-OAHLLOKOSA-N 0 1 379.551 3.123 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000657582008 567073083 /nfs/dbraw/zinc/07/30/83/567073083.db2.gz RVNXICSZSBBFNK-QWHCGFSZSA-N 0 1 383.945 3.237 20 0 GGADMN CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000453282217 567073146 /nfs/dbraw/zinc/07/31/46/567073146.db2.gz LMUJYHFWOWNJJK-ZWNOBZJWSA-N 0 1 381.325 3.125 20 0 GGADMN CCOC(=O)C1([S@](C)=O)CCN([C@H](C)CCc2ccc(Cl)s2)CC1 ZINC000453286833 567073174 /nfs/dbraw/zinc/07/31/74/567073174.db2.gz RIBKLTOGTIHQHO-OZAJXLCCSA-N 0 1 391.986 3.499 20 0 GGADMN CCc1nc2c(s1)[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000453295424 567073333 /nfs/dbraw/zinc/07/33/33/567073333.db2.gz GGLKIDMSEXIJMS-HNNXBMFYSA-N 0 1 379.551 3.123 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000657600332 567073993 /nfs/dbraw/zinc/07/39/93/567073993.db2.gz BXBYVEBBTFNTMH-SFHVURJKSA-N 0 1 383.897 3.218 20 0 GGADMN C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cnc2ccsc2c1 ZINC000453305266 567075020 /nfs/dbraw/zinc/07/50/20/567075020.db2.gz QLBSOOAVHPZJCY-CYBMUJFWSA-N 0 1 375.519 3.397 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1)C1CC1 ZINC000584866145 567075542 /nfs/dbraw/zinc/07/55/42/567075542.db2.gz POHGSHXUBOKPJJ-CYBMUJFWSA-N 0 1 397.591 3.165 20 0 GGADMN Cn1ncc(Br)c1C[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000635015047 567075857 /nfs/dbraw/zinc/07/58/57/567075857.db2.gz BODWAXFMMRKOHN-UHFFFAOYSA-N 0 1 378.270 3.260 20 0 GGADMN CO[C@@H]([C@@H](C)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000453342535 567076010 /nfs/dbraw/zinc/07/60/10/567076010.db2.gz CTUJHZDJNDXNAH-XWRVAKJBSA-N 0 1 381.325 3.105 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc(F)cc(Br)c1 ZINC000473378409 567076433 /nfs/dbraw/zinc/07/64/33/567076433.db2.gz XENALJOEYYRWOZ-HNNXBMFYSA-N 0 1 389.228 3.420 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)CCCc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000473375172 567076691 /nfs/dbraw/zinc/07/66/91/567076691.db2.gz WHCSFYXASOFWMZ-NEPJUHHUSA-N 0 1 379.353 3.291 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(F)ccc1Br ZINC000473374772 567076936 /nfs/dbraw/zinc/07/69/36/567076936.db2.gz CDRLRSDFUSBXOH-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN CN1CC2(C1)CCN(C(=O)CCCCOc1ccc(Br)cc1)C2 ZINC000614039146 567078400 /nfs/dbraw/zinc/07/84/00/567078400.db2.gz OLMVXLFDVJXRTK-UHFFFAOYSA-N 0 1 381.314 3.162 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000473394430 567078408 /nfs/dbraw/zinc/07/84/08/567078408.db2.gz IHVLNQBQNNEVKY-UHFFFAOYSA-N 0 1 380.836 3.467 20 0 GGADMN C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000496687591 567078613 /nfs/dbraw/zinc/07/86/13/567078613.db2.gz AROHJEFYEXAUGC-LTCOOKNTSA-N 0 1 395.341 3.168 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000496687591 567078620 /nfs/dbraw/zinc/07/86/20/567078620.db2.gz AROHJEFYEXAUGC-LTCOOKNTSA-N 0 1 395.341 3.168 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(C)nc3cc(Br)ccc32)n[nH]1 ZINC000496627542 567078813 /nfs/dbraw/zinc/07/88/13/567078813.db2.gz DSRNELXLEMQESJ-SNVBAGLBSA-N 0 1 388.269 3.477 20 0 GGADMN CN1CC2(C1)CCN(C(=O)Cc1csc3ccc(Br)cc13)C2 ZINC000614035115 567078958 /nfs/dbraw/zinc/07/89/58/567078958.db2.gz RCJCNJALZIBDQB-UHFFFAOYSA-N 0 1 379.323 3.370 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)c[nH]1 ZINC000565578880 567079130 /nfs/dbraw/zinc/07/91/30/567079130.db2.gz ZFZFVUBHGRQFJJ-UHFFFAOYSA-N 0 1 393.646 3.018 20 0 GGADMN O=C([C@H]1CCCc2n[nH]nc21)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000614025574 567079134 /nfs/dbraw/zinc/07/91/34/567079134.db2.gz ANYITXUNAWUUSK-LBPRGKRZSA-N 0 1 387.281 3.456 20 0 GGADMN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000473428691 567079502 /nfs/dbraw/zinc/07/95/02/567079502.db2.gz ANSACUOANYIICO-UHFFFAOYSA-N 0 1 394.653 3.328 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cscc2Cl)C1 ZINC000635049098 567079706 /nfs/dbraw/zinc/07/97/06/567079706.db2.gz WIVVDAGHDPXZDP-TZMCWYRMSA-N 0 1 377.897 3.292 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@H]1CSc2ccc(Br)cc21 ZINC000565583816 567079988 /nfs/dbraw/zinc/07/99/88/567079988.db2.gz BRAHQUQODCYIAR-NSHDSACASA-N 0 1 394.298 3.091 20 0 GGADMN CC(C)(NCC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(Cl)c1F ZINC000473428753 567080266 /nfs/dbraw/zinc/08/02/66/567080266.db2.gz ALXWTZUJJLWUCA-UHFFFAOYSA-N 0 1 381.860 3.326 20 0 GGADMN O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CCCc2n[nH]nc21 ZINC000614062588 567080494 /nfs/dbraw/zinc/08/04/94/567080494.db2.gz MXXLEEIWPYGYJZ-AMIZOPFISA-N 0 1 376.741 3.437 20 0 GGADMN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CCCc2n[nH]nc21 ZINC000614062592 567080505 /nfs/dbraw/zinc/08/05/05/567080505.db2.gz MXXLEEIWPYGYJZ-SDBXPKJASA-N 0 1 376.741 3.437 20 0 GGADMN CC(C)Cc1ncnc(N[C@H]2CCCc3cn[nH]c32)c1I ZINC000585707081 567080788 /nfs/dbraw/zinc/08/07/88/567080788.db2.gz XASUYVGKNYBEPS-NSHDSACASA-N 0 1 397.264 3.492 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(F)ccc2Br)CCCCC1 ZINC000657656310 567081853 /nfs/dbraw/zinc/08/18/53/567081853.db2.gz JXXZTGKQXBISIQ-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN CN(C)[C@H](CNC(=O)CC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000635108475 567081990 /nfs/dbraw/zinc/08/19/90/567081990.db2.gz NQLLIBPOURNGQU-CQSZACIVSA-N 0 1 377.476 3.131 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)Cc1cccc(F)c1 ZINC000521859375 567082118 /nfs/dbraw/zinc/08/21/18/567082118.db2.gz XHENUTLSTSLHMS-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN CC1=CC[N@@H+](CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000545862727 567082137 /nfs/dbraw/zinc/08/21/37/567082137.db2.gz VBZKREXUZUPMEG-UHFFFAOYSA-N 0 1 389.297 3.017 20 0 GGADMN CC1=CCN(CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000545862727 567082142 /nfs/dbraw/zinc/08/21/42/567082142.db2.gz VBZKREXUZUPMEG-UHFFFAOYSA-N 0 1 389.297 3.017 20 0 GGADMN COc1ccc(C[C@H](CO)CN[C@@H](C)c2cc(C)on2)cc1Br ZINC000453376045 567082149 /nfs/dbraw/zinc/08/21/49/567082149.db2.gz PHLORQWAAPUERX-JSGCOSHPSA-N 0 1 383.286 3.256 20 0 GGADMN COc1ccc(Br)c(CNCC2(S(C)(=O)=O)CCCCC2)c1 ZINC000657657413 567082651 /nfs/dbraw/zinc/08/26/51/567082651.db2.gz VRUQZGKTTINDOB-UHFFFAOYSA-N 0 1 390.343 3.295 20 0 GGADMN Cc1nc2scc(C3CC3)n2c1CNCC1(S(C)(=O)=O)CCCCC1 ZINC000657656323 567082803 /nfs/dbraw/zinc/08/28/03/567082803.db2.gz KGLFAHBEGXRUBK-UHFFFAOYSA-N 0 1 381.567 3.419 20 0 GGADMN O=C(NCCOC(F)(F)F)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000473471809 567083214 /nfs/dbraw/zinc/08/32/14/567083214.db2.gz HCXLASZIWSGLGD-CQSZACIVSA-N 0 1 379.810 3.313 20 0 GGADMN Cc1nnc(CNc2cc(C(C)C)nc(NCc3nnc(C)s3)n2)s1 ZINC000682920409 567083290 /nfs/dbraw/zinc/08/32/90/567083290.db2.gz TXKAEMFLJSWHHD-UHFFFAOYSA-N 0 1 376.515 3.144 20 0 GGADMN Cc1ccc(C[C@H](NCc2nn(C)cc2I)C2CC2)cc1 ZINC000453385562 567083678 /nfs/dbraw/zinc/08/36/78/567083678.db2.gz URDHHICDEGMTAI-INIZCTEOSA-N 0 1 395.288 3.444 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000521876628 567084389 /nfs/dbraw/zinc/08/43/89/567084389.db2.gz NVHYULNIQINWSG-ZNMIVQPWSA-N 0 1 397.361 3.176 20 0 GGADMN CC[C@@H](Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1)C(=O)OC ZINC000473513748 567086647 /nfs/dbraw/zinc/08/66/47/567086647.db2.gz PHWVWNXWFRYOEI-LLVKDONJSA-N 0 1 386.271 3.287 20 0 GGADMN CN(C)[C@@H](CNC(=O)CC1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000635239433 567087709 /nfs/dbraw/zinc/08/77/09/567087709.db2.gz FPJGRGTUZSUYRC-HNNXBMFYSA-N 0 1 377.476 3.131 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3cncn3C)n2)cc1Br ZINC000473535664 567087720 /nfs/dbraw/zinc/08/77/20/567087720.db2.gz UAXHXDZXKXMIAD-UHFFFAOYSA-N 0 1 380.271 3.269 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1C ZINC000614130517 567088255 /nfs/dbraw/zinc/08/82/55/567088255.db2.gz RDEGWWSQZFLCKU-AWEZNQCLSA-N 0 1 395.341 3.391 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1C ZINC000614134623 567088310 /nfs/dbraw/zinc/08/83/10/567088310.db2.gz RDEGWWSQZFLCKU-CQSZACIVSA-N 0 1 395.341 3.391 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000614131961 567088381 /nfs/dbraw/zinc/08/83/81/567088381.db2.gz GOOYQSOJOOEDBX-GFCCVEGCSA-N 0 1 399.304 3.222 20 0 GGADMN O[C@H]1CCC[C@@H]1N1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000682996262 567090405 /nfs/dbraw/zinc/09/04/05/567090405.db2.gz OHASTCBPSLREFP-STQMWFEESA-N 0 1 379.751 3.195 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2sc(C)cc2Br)CC1 ZINC000453559125 567090762 /nfs/dbraw/zinc/09/07/62/567090762.db2.gz FLRIQLLEJMOGEA-UHFFFAOYSA-N 0 1 389.359 3.184 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3sc(C)cc3Br)CC2)nn1 ZINC000453561958 567091039 /nfs/dbraw/zinc/09/10/39/567091039.db2.gz APOCRIJDNHKHSN-UHFFFAOYSA-N 0 1 399.314 3.034 20 0 GGADMN Cc1cc(NC(=O)C2CCN(Cc3sc(C)cc3Br)CC2)no1 ZINC000453563111 567091120 /nfs/dbraw/zinc/09/11/20/567091120.db2.gz MESQXFOQMGVBNJ-UHFFFAOYSA-N 0 1 398.326 3.388 20 0 GGADMN Cc1c([C@H](C)NCCC2(O)CCC2)nnn1-c1cccc(Br)c1 ZINC000521988535 567091781 /nfs/dbraw/zinc/09/17/81/567091781.db2.gz VWUQHUNNBXIBMR-LBPRGKRZSA-N 0 1 379.302 3.294 20 0 GGADMN COC(=O)c1cccc(CNCc2cnc3c(C)cc(Br)cn23)c1 ZINC000565709231 567091851 /nfs/dbraw/zinc/09/18/51/567091851.db2.gz RHOLFAWPLQBOFC-UHFFFAOYSA-N 0 1 388.265 3.482 20 0 GGADMN CC(C)(C)c1nc(CN2C(=O)N[C@@H](c3ccc(Cl)cc3Cl)C2=O)n[nH]1 ZINC000565708043 567091911 /nfs/dbraw/zinc/09/19/11/567091911.db2.gz ZNIBROGXSJEFMW-LBPRGKRZSA-N 0 1 382.251 3.202 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000635311550 567093010 /nfs/dbraw/zinc/09/30/10/567093010.db2.gz RJUFNBFCXYKNRW-HNNXBMFYSA-N 0 1 392.297 3.478 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000635311550 567093021 /nfs/dbraw/zinc/09/30/21/567093021.db2.gz RJUFNBFCXYKNRW-HNNXBMFYSA-N 0 1 392.297 3.478 20 0 GGADMN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000683021528 567093245 /nfs/dbraw/zinc/09/32/45/567093245.db2.gz GHLWLKHJSZONEZ-GOEBONIOSA-N 0 1 378.460 3.111 20 0 GGADMN Cn1cc(C(C)(C)NCc2cc(Br)c3c(c2)OCCCO3)cn1 ZINC000545996052 567093529 /nfs/dbraw/zinc/09/35/29/567093529.db2.gz DSTKGAAMVIQNLE-UHFFFAOYSA-N 0 1 380.286 3.369 20 0 GGADMN O=C(NCc1cn2cc(Br)ccc2n1)c1[nH]nc2c1CCCCC2 ZINC000473626680 567093766 /nfs/dbraw/zinc/09/37/66/567093766.db2.gz QTMCYXWSJFPAQV-UHFFFAOYSA-N 0 1 388.269 3.019 20 0 GGADMN Cc1cc(Br)c(CNC[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000453594918 567094225 /nfs/dbraw/zinc/09/42/25/567094225.db2.gz LSTCMEKEZIXOSV-GFCCVEGCSA-N 0 1 387.265 3.172 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2sc(C)cc2C)c1 ZINC000431594006 567094766 /nfs/dbraw/zinc/09/47/66/567094766.db2.gz DEPJHKIXJZFDPE-UHFFFAOYSA-N 0 1 382.551 3.126 20 0 GGADMN Cc1cc(Br)c(CNCc2cccnc2N2CCN(C)CC2)s1 ZINC000453586109 567094755 /nfs/dbraw/zinc/09/47/55/567094755.db2.gz IVQJBQKXRKRHGR-UHFFFAOYSA-N 0 1 395.370 3.256 20 0 GGADMN C[C@@]1(CNCc2csc(-c3cccc(Br)c3)n2)CCC(=O)N1 ZINC000453584419 567095068 /nfs/dbraw/zinc/09/50/68/567095068.db2.gz DYSVIMLPYUBLTQ-INIZCTEOSA-N 0 1 380.311 3.331 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000657761284 567095058 /nfs/dbraw/zinc/09/50/58/567095058.db2.gz IIHHMCDCIKVURS-VIFPVBQESA-N 0 1 381.889 3.119 20 0 GGADMN O=c1ccccn1CCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000586796166 567095892 /nfs/dbraw/zinc/09/58/92/567095892.db2.gz QKAGHJPNTHDYKA-UHFFFAOYSA-N 0 1 377.267 3.188 20 0 GGADMN COc1ccc(CNC[C@@H](O)[C@H](C)c2ccccc2)c(Br)c1O ZINC000657795256 567096050 /nfs/dbraw/zinc/09/60/50/567096050.db2.gz FBGOJHDSCJLFKM-IUODEOHRSA-N 0 1 380.282 3.418 20 0 GGADMN C[C@@H](c1ccccc1)[C@H](CO)NCc1ncc(I)s1 ZINC000586777596 567096640 /nfs/dbraw/zinc/09/66/40/567096640.db2.gz SBKBTDPOHWQZLE-JQWIXIFHSA-N 0 1 388.274 3.002 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1Cl ZINC000522054716 567096937 /nfs/dbraw/zinc/09/69/37/567096937.db2.gz HVUASJRTHMWHNE-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN Cc1cc(Br)c(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000453599420 567096981 /nfs/dbraw/zinc/09/69/81/567096981.db2.gz NACQCIWTNSUHGO-VIFPVBQESA-N 0 1 385.249 3.319 20 0 GGADMN Clc1cnc(CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)s1 ZINC000546035265 567096938 /nfs/dbraw/zinc/09/69/38/567096938.db2.gz GNUKVUVMYCJYKG-UHFFFAOYSA-N 0 1 377.901 3.160 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](O)[C@@H](C)c1ccccc1 ZINC000657796617 567097158 /nfs/dbraw/zinc/09/71/58/567097158.db2.gz WYSQWLWKTNBQDY-KSSFIOAISA-N 0 1 381.925 3.388 20 0 GGADMN COc1ccc(CN[C@H](C)C(=O)NCCc2ccccc2)cc1Br ZINC000453623472 567097779 /nfs/dbraw/zinc/09/77/79/567097779.db2.gz XSUWRIDRHOGZAZ-CQSZACIVSA-N 0 1 391.309 3.295 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000473727274 567097807 /nfs/dbraw/zinc/09/78/07/567097807.db2.gz WVZCKXZOZBJBMD-MRXNPFEDSA-N 0 1 385.221 3.176 20 0 GGADMN O=C1[C@H](NCc2ccc(OC(F)F)c(Br)c2)C[C@H]2CCCCN12 ZINC000453617444 567098028 /nfs/dbraw/zinc/09/80/28/567098028.db2.gz GWEHPBLZACZYEI-DGCLKSJQSA-N 0 1 389.240 3.294 20 0 GGADMN COc1sc(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1Br ZINC000453620981 567098112 /nfs/dbraw/zinc/09/81/12/567098112.db2.gz XUNKUHHSHRLSKP-JTQLQIEISA-N 0 1 384.299 3.339 20 0 GGADMN COc1ccc(CNC(=O)c2[nH]nc3c2CCCCC3)cc1Br ZINC000473692323 567098546 /nfs/dbraw/zinc/09/85/46/567098546.db2.gz ILYFROIDJXADEL-UHFFFAOYSA-N 0 1 378.270 3.380 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[nH]1 ZINC000522058098 567098694 /nfs/dbraw/zinc/09/86/94/567098694.db2.gz KPEZQFCEBMBJQZ-WCQYABFASA-N 0 1 381.299 3.030 20 0 GGADMN Cc1cc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(C)c1Br ZINC000683155917 567099211 /nfs/dbraw/zinc/09/92/11/567099211.db2.gz UNMYNMBDTZGNDE-CVEARBPZSA-N 0 1 396.329 3.129 20 0 GGADMN CN1CCCC[C@H]1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000635444707 567099591 /nfs/dbraw/zinc/09/95/91/567099591.db2.gz SUDSCFRKGSYKLP-INIZCTEOSA-N 0 1 381.314 3.055 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H](C)C1 ZINC000565798430 567100045 /nfs/dbraw/zinc/10/00/45/567100045.db2.gz ZCACZCALTVQRLO-OKILXGFUSA-N 0 1 391.313 3.190 20 0 GGADMN Cc1nc(CC(=O)N[C@@](C)(CC(C)C)c2cccc(Br)c2)n[nH]1 ZINC000614282345 567100119 /nfs/dbraw/zinc/10/01/19/567100119.db2.gz QYPZJLBYRJANTK-KRWDZBQOSA-N 0 1 379.302 3.496 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000497456897 567100556 /nfs/dbraw/zinc/10/05/56/567100556.db2.gz ALLGPIGVUPJXEV-UHFFFAOYSA-N 0 1 382.258 3.129 20 0 GGADMN Cc1ccnc([C@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C2CC2)n1 ZINC000497497659 567101738 /nfs/dbraw/zinc/10/17/38/567101738.db2.gz ALOZWTJVDBXRPC-CQSZACIVSA-N 0 1 386.253 3.305 20 0 GGADMN Cc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000683181659 567102566 /nfs/dbraw/zinc/10/25/66/567102566.db2.gz KEDREDIBOFDZJG-AWEZNQCLSA-N 0 1 380.210 3.473 20 0 GGADMN CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000614343418 567102800 /nfs/dbraw/zinc/10/28/00/567102800.db2.gz VIQAHGFJZSWMDH-GFCCVEGCSA-N 0 1 392.297 3.259 20 0 GGADMN CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000614343418 567102808 /nfs/dbraw/zinc/10/28/08/567102808.db2.gz VIQAHGFJZSWMDH-GFCCVEGCSA-N 0 1 392.297 3.259 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000497522452 567103154 /nfs/dbraw/zinc/10/31/54/567103154.db2.gz NVEYMMYUOPFUBB-KGLIPLIRSA-N 0 1 389.359 3.156 20 0 GGADMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2CSC)c1 ZINC000546075746 567103410 /nfs/dbraw/zinc/10/34/10/567103410.db2.gz YTXKODDXFBFPNQ-UHFFFAOYSA-N 0 1 381.475 3.146 20 0 GGADMN FC(F)(F)Cn1nnnc1CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000683190372 567104492 /nfs/dbraw/zinc/10/44/92/567104492.db2.gz VMZKLXNHHRWXIH-UHFFFAOYSA-N 0 1 382.293 3.423 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000522197213 567104728 /nfs/dbraw/zinc/10/47/28/567104728.db2.gz PZGLACXBDFFSKC-ZDUSSCGKSA-N 0 1 380.432 3.128 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2cccc(-n3cccn3)c2)cc1Cl ZINC000683206859 567105779 /nfs/dbraw/zinc/10/57/79/567105779.db2.gz WUAAGHJHHNRVOZ-UHFFFAOYSA-N 0 1 375.881 3.219 20 0 GGADMN Brc1ccc(CN[C@H]2CCCn3nccc32)c(N2CCOCC2)c1 ZINC000657927188 567105864 /nfs/dbraw/zinc/10/58/64/567105864.db2.gz KDMICFOMKJMDCQ-INIZCTEOSA-N 0 1 391.313 3.107 20 0 GGADMN CC[C@H](NC(=O)C(C)(C)CN1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000635649870 567106862 /nfs/dbraw/zinc/10/68/62/567106862.db2.gz NFRLYCRJBWOTTP-NSHDSACASA-N 0 1 379.448 3.088 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000497543943 567108068 /nfs/dbraw/zinc/10/80/68/567108068.db2.gz SPNYVNHNPVTECM-UHFFFAOYSA-N 0 1 389.359 3.300 20 0 GGADMN COCCN(Cc1cccnc1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000683221975 567107648 /nfs/dbraw/zinc/10/76/48/567107648.db2.gz JIEVOMYUHRKOHW-HNNXBMFYSA-N 0 1 385.291 3.277 20 0 GGADMN Cc1cc(Br)cn2cc(CCNC(=O)c3cccc4nc[nH]c43)nc12 ZINC000546122328 567107592 /nfs/dbraw/zinc/10/75/92/567107592.db2.gz ZADKNMXIQRHNID-UHFFFAOYSA-N 0 1 398.264 3.254 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000473853562 567108153 /nfs/dbraw/zinc/10/81/53/567108153.db2.gz DNHQSENGMJWQKN-NSHDSACASA-N 0 1 381.300 3.381 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@H](N2CCCCC2)C1 ZINC000473853549 567108239 /nfs/dbraw/zinc/10/82/39/567108239.db2.gz DNHQSENGMJWQKN-LLVKDONJSA-N 0 1 381.300 3.381 20 0 GGADMN O=C(c1c(Cl)cccc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000614391027 567108418 /nfs/dbraw/zinc/10/84/18/567108418.db2.gz LRFGMIQBKOZWKS-QMMMGPOBSA-N 0 1 386.633 3.211 20 0 GGADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000565888550 567108360 /nfs/dbraw/zinc/10/83/60/567108360.db2.gz OYZQBFNNSSNOAO-ZJUUUORDSA-N 0 1 399.676 3.004 20 0 GGADMN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 ZINC000522254339 567108456 /nfs/dbraw/zinc/10/84/56/567108456.db2.gz UHAVDYMRUCCRKW-HNNXBMFYSA-N 0 1 389.293 3.462 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473853833 567108436 /nfs/dbraw/zinc/10/84/36/567108436.db2.gz JGGGQJMIGBZJJN-SNVBAGLBSA-N 0 1 381.300 3.428 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473853833 567108437 /nfs/dbraw/zinc/10/84/37/567108437.db2.gz JGGGQJMIGBZJJN-SNVBAGLBSA-N 0 1 381.300 3.428 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1C ZINC000614390305 567108483 /nfs/dbraw/zinc/10/84/83/567108483.db2.gz SMQSPEBTROUBOE-LLVKDONJSA-N 0 1 380.242 3.174 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cn1C ZINC000546152564 567109149 /nfs/dbraw/zinc/10/91/49/567109149.db2.gz AECHUCGMTUKEHW-UHFFFAOYSA-N 0 1 376.356 3.021 20 0 GGADMN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCN(C2CC2)C1 ZINC000453772292 567110246 /nfs/dbraw/zinc/11/02/46/567110246.db2.gz WXRFKVIWZCSHML-JTQLQIEISA-N 0 1 388.270 3.014 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000546153730 567111231 /nfs/dbraw/zinc/11/12/31/567111231.db2.gz SVRVTAHTDZLYPP-UHFFFAOYSA-N 0 1 396.266 3.443 20 0 GGADMN CCC[C@H]([NH2+]C(C)C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000497563223 567111274 /nfs/dbraw/zinc/11/12/74/567111274.db2.gz JZXHXLJWRQDEMC-ZDUSSCGKSA-N 0 1 398.280 3.479 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614437439 567111981 /nfs/dbraw/zinc/11/19/81/567111981.db2.gz GQAVYYRYBGIEOP-INIZCTEOSA-N 0 1 381.314 3.084 20 0 GGADMN Cc1c(Br)ccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1F ZINC000614435149 567112142 /nfs/dbraw/zinc/11/21/42/567112142.db2.gz AAJYOZKCHFSSNC-CQSZACIVSA-N 0 1 399.304 3.224 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H]3CCCn4nccc43)C2=O)ccc1Br ZINC000657977509 567112058 /nfs/dbraw/zinc/11/20/58/567112058.db2.gz HLAAXGMTESACIE-JKSUJKDBSA-N 0 1 389.297 3.184 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614444886 567112245 /nfs/dbraw/zinc/11/22/45/567112245.db2.gz CRYOJWQORQMYJN-CQSZACIVSA-N 0 1 399.304 3.224 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614437440 567112257 /nfs/dbraw/zinc/11/22/57/567112257.db2.gz GQAVYYRYBGIEOP-MRXNPFEDSA-N 0 1 381.314 3.084 20 0 GGADMN Cc1c(Br)ccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1F ZINC000614435148 567112639 /nfs/dbraw/zinc/11/26/39/567112639.db2.gz AAJYOZKCHFSSNC-AWEZNQCLSA-N 0 1 399.304 3.224 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)c1ccsc1 ZINC000473888387 567112885 /nfs/dbraw/zinc/11/28/85/567112885.db2.gz YWLGBIUMLHTJGT-ZIAGYGMSSA-N 0 1 382.580 3.307 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCSC[C@H]1c1nccs1)c1ccsc1 ZINC000473888383 567113295 /nfs/dbraw/zinc/11/32/95/567113295.db2.gz YWLGBIUMLHTJGT-KGLIPLIRSA-N 0 1 382.580 3.307 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614453303 567113372 /nfs/dbraw/zinc/11/33/72/567113372.db2.gz WBZQWZPNYGXLAR-INIZCTEOSA-N 0 1 395.341 3.393 20 0 GGADMN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000431885976 567113654 /nfs/dbraw/zinc/11/36/54/567113654.db2.gz ANFMPNBBOOFZNI-UHFFFAOYSA-N 0 1 378.460 3.140 20 0 GGADMN CSC1(CNc2nc(C[NH+](C)C)nc3sc(C(=O)[O-])c(C)c32)CCC1 ZINC000565953320 567114509 /nfs/dbraw/zinc/11/45/09/567114509.db2.gz FGUIRKYGWBJLLW-UHFFFAOYSA-N 0 1 380.539 3.457 20 0 GGADMN C[C@H](C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)N(C)C ZINC000635852318 567115398 /nfs/dbraw/zinc/11/53/98/567115398.db2.gz JRONYZNHQWFMKH-CXAGYDPISA-N 0 1 376.298 3.194 20 0 GGADMN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000431893806 567115891 /nfs/dbraw/zinc/11/58/91/567115891.db2.gz JJQMKBAKBHZTSB-UHFFFAOYSA-N 0 1 378.460 3.140 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)s1 ZINC000473941620 567116937 /nfs/dbraw/zinc/11/69/37/567116937.db2.gz BDYOEPVVJBPXSY-WDEREUQCSA-N 0 1 395.388 3.218 20 0 GGADMN COCCNC(=O)C1(N[C@@H](C)c2ccc(Br)c(Cl)c2)CC1 ZINC000658033227 567117337 /nfs/dbraw/zinc/11/73/37/567117337.db2.gz CMIVSNAXJXXLEM-JTQLQIEISA-N 0 1 375.694 3.048 20 0 GGADMN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H](O)C(F)(F)F ZINC000473941864 567117518 /nfs/dbraw/zinc/11/75/18/567117518.db2.gz PQYUYKKASARSHP-QUBYGPBYSA-N 0 1 384.178 3.113 20 0 GGADMN O=C1[C@H](N2CCC([C@H]3CCOC3)CC2)CCN1c1cccc(Br)c1 ZINC000683369627 567119403 /nfs/dbraw/zinc/11/94/03/567119403.db2.gz RNDGIGRSBJQAFA-MAUKXSAKSA-N 0 1 393.325 3.303 20 0 GGADMN CN(CC(=O)Nc1cc(N2CCOCC2)ccc1Br)CC(C)(C)C ZINC000635996959 567120477 /nfs/dbraw/zinc/12/04/77/567120477.db2.gz MHLJGLPTSFNJOD-UHFFFAOYSA-N 0 1 398.345 3.202 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ncc(Br)s2)C1 ZINC000683405871 567120701 /nfs/dbraw/zinc/12/07/01/567120701.db2.gz GXHLTWJPGYTDAL-WCQYABFASA-N 0 1 380.311 3.471 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ncc(Br)s2)C1 ZINC000683405870 567121125 /nfs/dbraw/zinc/12/11/25/567121125.db2.gz GXHLTWJPGYTDAL-DGCLKSJQSA-N 0 1 380.311 3.471 20 0 GGADMN Cc1[nH]ncc1CN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000636064680 567122083 /nfs/dbraw/zinc/12/20/83/567122083.db2.gz IFCNBHXLDONGSI-UHFFFAOYSA-N 0 1 377.857 3.172 20 0 GGADMN Cc1[nH]ncc1CN(C)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000636069629 567122234 /nfs/dbraw/zinc/12/22/34/567122234.db2.gz VMSVXHHEFZKBHV-UHFFFAOYSA-N 0 1 378.270 3.492 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000566053847 567122208 /nfs/dbraw/zinc/12/22/08/567122208.db2.gz HOIXXDSIZNEQTE-UHFFFAOYSA-N 0 1 392.301 3.265 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1cn[nH]c1C ZINC000636066436 567122635 /nfs/dbraw/zinc/12/26/35/567122635.db2.gz CISMYYAJMIJAAF-OAHLLOKOSA-N 0 1 394.313 3.334 20 0 GGADMN Cc1csc([C@H](C)C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)n1 ZINC000614576552 567123411 /nfs/dbraw/zinc/12/34/11/567123411.db2.gz IVIMIWHNKYMFID-LLVKDONJSA-N 0 1 375.885 3.352 20 0 GGADMN COc1ccc(Br)cc1C1(C(=O)N(C)Cc2cn[nH]c2C)CC1 ZINC000636070119 567123503 /nfs/dbraw/zinc/12/35/03/567123503.db2.gz HVFQHRXBJYKMKS-UHFFFAOYSA-N 0 1 378.270 3.179 20 0 GGADMN COc1cc(Br)ccc1CCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000566073084 567123703 /nfs/dbraw/zinc/12/37/03/567123703.db2.gz CVIGKLPRGBRAKR-AWEZNQCLSA-N 0 1 388.327 3.282 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)N1CCCC[C@H]1C ZINC000614606023 567123904 /nfs/dbraw/zinc/12/39/04/567123904.db2.gz DHIVYQAQGWMQGD-NEPJUHHUSA-N 0 1 393.322 3.129 20 0 GGADMN CN(C)c1ncc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000474005134 567124430 /nfs/dbraw/zinc/12/44/30/567124430.db2.gz CCYMOQFIDNJKMU-CYBMUJFWSA-N 0 1 385.320 3.411 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2cc(Br)cc(N(C)C)c2)c1 ZINC000566070073 567124754 /nfs/dbraw/zinc/12/47/54/567124754.db2.gz KHYODJTWAZTZPC-UHFFFAOYSA-N 0 1 377.286 3.224 20 0 GGADMN COCC[C@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000614591897 567125091 /nfs/dbraw/zinc/12/50/91/567125091.db2.gz JOMRXJAFIQRVTA-FZMZJTMJSA-N 0 1 383.279 3.425 20 0 GGADMN Cc1ccccc1CN1CCCN(S(=O)(=O)CCc2cccs2)CC1 ZINC000683461694 567125530 /nfs/dbraw/zinc/12/55/30/567125530.db2.gz BVLLXFJEIBGUOT-UHFFFAOYSA-N 0 1 378.563 3.137 20 0 GGADMN COc1ccc(N2C[C@H](N[C@@H](C)c3ccc(Br)cn3)CC2=O)cc1 ZINC000658154480 567126376 /nfs/dbraw/zinc/12/63/76/567126376.db2.gz HZJJEZMNWBKHJH-GXTWGEPZSA-N 0 1 390.281 3.309 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC000683481492 567127620 /nfs/dbraw/zinc/12/76/20/567127620.db2.gz TYYPSDIHKHSQSH-JTQLQIEISA-N 0 1 393.684 3.082 20 0 GGADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(F)(F)F ZINC000683466718 567127677 /nfs/dbraw/zinc/12/76/77/567127677.db2.gz UBZJGJTYLUJMQC-MWODSPESSA-N 0 1 386.461 3.201 20 0 GGADMN C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(Br)cn1 ZINC000658200418 567127971 /nfs/dbraw/zinc/12/79/71/567127971.db2.gz PFJNSQUAKKQSAV-LBPRGKRZSA-N 0 1 375.332 3.242 20 0 GGADMN COC1CCN(CCNC(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000683493385 567128114 /nfs/dbraw/zinc/12/81/14/567128114.db2.gz GHGAVQWHMOJZBH-UHFFFAOYSA-N 0 1 393.684 3.082 20 0 GGADMN O=C(c1cc2ccc(Br)cc2s1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566132929 567129303 /nfs/dbraw/zinc/12/93/03/567129303.db2.gz LTEQSFMPYBSFQD-SNVBAGLBSA-N 0 1 377.267 3.412 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1Cl ZINC000497869336 567129759 /nfs/dbraw/zinc/12/97/59/567129759.db2.gz RAWWHCINZUERNE-HNNXBMFYSA-N 0 1 379.913 3.322 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474095594 567132478 /nfs/dbraw/zinc/13/24/78/567132478.db2.gz HTQZTYADVOAYIZ-HUUCEWRRSA-N 0 1 379.291 3.499 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)C1 ZINC000497925008 567132670 /nfs/dbraw/zinc/13/26/70/567132670.db2.gz UFMAMKOWMGVHSE-OTYXRUKQSA-N 0 1 380.235 3.195 20 0 GGADMN Brc1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)nc1 ZINC000546503647 567133696 /nfs/dbraw/zinc/13/36/96/567133696.db2.gz OQJZZDQEJALRFP-UHFFFAOYSA-N 0 1 383.209 3.270 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000566181701 567135188 /nfs/dbraw/zinc/13/51/88/567135188.db2.gz MZBXOUBFCKFQRK-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000566181689 567135214 /nfs/dbraw/zinc/13/52/14/567135214.db2.gz MZBXOUBFCKFQRK-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(Br)cc1C(C)C)[C@@H]1CCN(C)C1 ZINC000658359380 567135723 /nfs/dbraw/zinc/13/57/23/567135723.db2.gz CTCFBXCWFNQVGH-CQSZACIVSA-N 0 1 396.329 3.064 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C)[C@@H]1CCN(C)C1 ZINC000658356386 567135865 /nfs/dbraw/zinc/13/58/65/567135865.db2.gz KPFIKIRHYVXXEJ-CQSZACIVSA-N 0 1 383.945 3.332 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000497953571 567135787 /nfs/dbraw/zinc/13/57/87/567135787.db2.gz WMBWWVRMWHKLFQ-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN CO[C@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CCCC1 ZINC000658313141 567136610 /nfs/dbraw/zinc/13/66/10/567136610.db2.gz BRMNKOFFSNKCOM-ZUZCIYMTSA-N 0 1 395.352 3.497 20 0 GGADMN CC(C)NC(=O)NCCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000566210789 567136801 /nfs/dbraw/zinc/13/68/01/567136801.db2.gz FEWMWKLINQOMTL-UHFFFAOYSA-N 0 1 384.303 3.034 20 0 GGADMN Cc1cnc([C@@H](C)CNC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000566197939 567137101 /nfs/dbraw/zinc/13/71/01/567137101.db2.gz VFGQRLMSWUMXEY-MGPLVRAMSA-N 0 1 382.327 3.308 20 0 GGADMN C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000474120431 567136977 /nfs/dbraw/zinc/13/69/77/567136977.db2.gz YCQFRDWGPVCLKQ-MWLCHTKSSA-N 0 1 396.228 3.051 20 0 GGADMN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658380122 567137416 /nfs/dbraw/zinc/13/74/16/567137416.db2.gz GPVBOOXQFMQEHB-ZETCQYMHSA-N 0 1 390.130 3.162 20 0 GGADMN Cc1cnc([C@H](C)CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)s1 ZINC000566197938 567137430 /nfs/dbraw/zinc/13/74/30/567137430.db2.gz VFGQRLMSWUMXEY-HWPZZCPQSA-N 0 1 382.327 3.308 20 0 GGADMN COc1ccc(Cl)cc1CS(=O)(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000497967097 567137792 /nfs/dbraw/zinc/13/77/92/567137792.db2.gz GXNMTGFVUFODNC-UHFFFAOYSA-N 0 1 379.869 3.153 20 0 GGADMN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000658383223 567138196 /nfs/dbraw/zinc/13/81/96/567138196.db2.gz CRLZPXHCZZWSFM-NKWVEPMBSA-N 0 1 390.130 3.160 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)CCOc2ccc(F)cc2)cc1Cl ZINC000522958997 567138785 /nfs/dbraw/zinc/13/87/85/567138785.db2.gz KUDKDHHNVSAKMF-UHFFFAOYSA-N 0 1 389.832 3.317 20 0 GGADMN CC[C@H]1CN(C)CCCN1C(=O)c1scc(C)c1I ZINC000588821907 567138727 /nfs/dbraw/zinc/13/87/27/567138727.db2.gz PTSNXOYMPRWQOR-NSHDSACASA-N 0 1 392.306 3.217 20 0 GGADMN CCOc1c(Br)cc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1OC ZINC000566216796 567138839 /nfs/dbraw/zinc/13/88/39/567138839.db2.gz FEAMWRROHOUXEU-AWEZNQCLSA-N 0 1 399.329 3.345 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C)c1cccs1 ZINC000474128400 567139064 /nfs/dbraw/zinc/13/90/64/567139064.db2.gz YVBBPYWULUUERB-CYBMUJFWSA-N 0 1 393.408 3.268 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cnccc2N2CCCC2)cc1Cl ZINC000566228650 567140426 /nfs/dbraw/zinc/14/04/26/567140426.db2.gz FNFNIWKXSSBLLB-UHFFFAOYSA-N 0 1 381.885 3.453 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)sc1Cl ZINC000658403032 567140887 /nfs/dbraw/zinc/14/08/87/567140887.db2.gz YLIOEQJVBKPFGX-MRVPVSSYSA-N 0 1 399.763 3.117 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000614803083 567141206 /nfs/dbraw/zinc/14/12/06/567141206.db2.gz STCGUVIBYBVEJM-UHFFFAOYSA-N 0 1 377.447 3.064 20 0 GGADMN O=C(Nc1nc2c(cccc2Br)s1)[C@@H]1CCCc2n[nH]nc21 ZINC000614799797 567141293 /nfs/dbraw/zinc/14/12/93/567141293.db2.gz NCMRBPDXZITRJE-SSDOTTSWSA-N 0 1 378.255 3.236 20 0 GGADMN COCCOCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2OC)c1 ZINC000614838843 567142824 /nfs/dbraw/zinc/14/28/24/567142824.db2.gz JCFTWHMALAZIGA-UHFFFAOYSA-N 0 1 385.869 3.312 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498024553 567143510 /nfs/dbraw/zinc/14/35/10/567143510.db2.gz DWESWNREQLVLOB-ZDUSSCGKSA-N 0 1 385.265 3.425 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000498021109 567143934 /nfs/dbraw/zinc/14/39/34/567143934.db2.gz ASKQNWOGGQMZSI-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1cc(Br)ccc1N1CCCC1 ZINC000432270384 567144124 /nfs/dbraw/zinc/14/41/24/567144124.db2.gz MOSPVWZULZJKBD-UHFFFAOYSA-N 0 1 393.329 3.433 20 0 GGADMN CC(=O)NCc1ccc(NS(=O)(=O)c2cc(C)ccc2Br)cc1 ZINC000498018193 567144122 /nfs/dbraw/zinc/14/41/22/567144122.db2.gz BPPDHJUWCRZFLF-UHFFFAOYSA-N 0 1 397.294 3.194 20 0 GGADMN COc1cc(Br)c(Cl)cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000566257959 567144518 /nfs/dbraw/zinc/14/45/18/567144518.db2.gz ZYAQNSMCOJFBOA-SNVBAGLBSA-N 0 1 375.694 3.277 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C)C[C@@H]2C(C)C)c(Br)c1 ZINC000523132549 567144630 /nfs/dbraw/zinc/14/46/30/567144630.db2.gz HMCWUWCGWHNEEF-GOEBONIOSA-N 0 1 383.330 3.323 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000588924469 567144604 /nfs/dbraw/zinc/14/46/04/567144604.db2.gz VORAXUCLVAQCEV-NSHDSACASA-N 0 1 383.853 3.245 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N2CCN(CC3CC3)CC2)c(Br)c1 ZINC000614871519 567144745 /nfs/dbraw/zinc/14/47/45/567144745.db2.gz YLGKNGOKRDDTOW-AWEZNQCLSA-N 0 1 381.314 3.079 20 0 GGADMN COC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccco1 ZINC000474187689 567144995 /nfs/dbraw/zinc/14/49/95/567144995.db2.gz GGHTUEHVXMIZLX-VIFPVBQESA-N 0 1 380.249 3.261 20 0 GGADMN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)c(C)c1 ZINC000614863368 567145071 /nfs/dbraw/zinc/14/50/71/567145071.db2.gz ZUOSCPMVLTXTED-UHFFFAOYSA-N 0 1 382.869 3.208 20 0 GGADMN Cc1ccc(O[C@H](C)C(=O)N2CCN(CC3CC3)CC2)c(Br)c1 ZINC000614871520 567145547 /nfs/dbraw/zinc/14/55/47/567145547.db2.gz YLGKNGOKRDDTOW-CQSZACIVSA-N 0 1 381.314 3.079 20 0 GGADMN CSc1ccncc1NS(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 ZINC000588944195 567146129 /nfs/dbraw/zinc/14/61/29/567146129.db2.gz SWEFOXTXKAKUPU-UHFFFAOYSA-N 0 1 380.491 3.478 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000474201857 567146516 /nfs/dbraw/zinc/14/65/16/567146516.db2.gz QNQOXJKRGLEGPX-ZDUSSCGKSA-N 0 1 389.323 3.066 20 0 GGADMN Cc1c(NS(=O)(=O)Cc2ccc(Br)cc2)[nH]nc1C(F)(F)F ZINC000683708719 567146668 /nfs/dbraw/zinc/14/66/68/567146668.db2.gz KCTYVLZRISEOGF-UHFFFAOYSA-N 0 1 398.204 3.441 20 0 GGADMN Cc1c(NS(=O)(=O)Cc2ccc(Br)cc2)n[nH]c1C(F)(F)F ZINC000683708719 567146673 /nfs/dbraw/zinc/14/66/73/567146673.db2.gz KCTYVLZRISEOGF-UHFFFAOYSA-N 0 1 398.204 3.441 20 0 GGADMN O=C1[C@H](NCc2n[nH]c3ccccc23)CCN1c1cccc(Br)c1 ZINC000683706800 567146807 /nfs/dbraw/zinc/14/68/07/567146807.db2.gz BGHPJQKWEBLPKM-MRXNPFEDSA-N 0 1 385.265 3.221 20 0 GGADMN O=C1[C@H](NCc2[nH]nc3ccccc32)CCN1c1cccc(Br)c1 ZINC000683706800 567146818 /nfs/dbraw/zinc/14/68/18/567146818.db2.gz BGHPJQKWEBLPKM-MRXNPFEDSA-N 0 1 385.265 3.221 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000523257748 567147490 /nfs/dbraw/zinc/14/74/90/567147490.db2.gz IRVAXKFXZBXUIL-UHFFFAOYSA-N 0 1 378.841 3.149 20 0 GGADMN COCC[N@@H+](C)CCNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000588974845 567148357 /nfs/dbraw/zinc/14/83/57/567148357.db2.gz JEVWCGBPTLWXFL-KRWDZBQOSA-N 0 1 398.345 3.168 20 0 GGADMN COCC[N@@H+](C)CCNC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000588974856 567148598 /nfs/dbraw/zinc/14/85/98/567148598.db2.gz JEVWCGBPTLWXFL-QGZVFWFLSA-N 0 1 398.345 3.168 20 0 GGADMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCCOC1 ZINC000546678209 567149598 /nfs/dbraw/zinc/14/95/98/567149598.db2.gz YMMKYYXGWKQNPD-LLVKDONJSA-N 0 1 382.283 3.322 20 0 GGADMN C[C@@H]1C[N@H+](C2CCN(C(=O)c3nc4cc(Cl)ccc4s3)CC2)CCO1 ZINC000454166257 567149696 /nfs/dbraw/zinc/14/96/96/567149696.db2.gz KDVWSAYRNJJCIM-GFCCVEGCSA-N 0 1 379.913 3.275 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)c3nc4cc(Cl)ccc4s3)CC2)CCO1 ZINC000454166257 567149703 /nfs/dbraw/zinc/14/97/03/567149703.db2.gz KDVWSAYRNJJCIM-GFCCVEGCSA-N 0 1 379.913 3.275 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000474219810 567149671 /nfs/dbraw/zinc/14/96/71/567149671.db2.gz MHQKLJRMJVRSOK-CHWSQXEVSA-N 0 1 389.323 3.064 20 0 GGADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@H]1CCSC1 ZINC000474224541 567149962 /nfs/dbraw/zinc/14/99/62/567149962.db2.gz FDXJXJYXXSBAJQ-JTQLQIEISA-N 0 1 386.495 3.380 20 0 GGADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000474222843 567150074 /nfs/dbraw/zinc/15/00/74/567150074.db2.gz IIUCFGSUGLVVEY-QWHCGFSZSA-N 0 1 389.323 3.064 20 0 GGADMN NC(=O)c1csc(=NCC2(c3ccc(Cl)cc3Cl)CCOCC2)[nH]1 ZINC000432330712 567150109 /nfs/dbraw/zinc/15/01/09/567150109.db2.gz DYYMDRJNOBTPON-UHFFFAOYSA-N 0 1 386.304 3.131 20 0 GGADMN COCc1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000432332325 567150148 /nfs/dbraw/zinc/15/01/48/567150148.db2.gz WLQGHZQTXMTJQC-SFHVURJKSA-N 0 1 389.293 3.491 20 0 GGADMN COc1cccc2c(C(=O)Nc3cccc(I)c3)n[nH]c21 ZINC000589049450 567151143 /nfs/dbraw/zinc/15/11/43/567151143.db2.gz BEPCTCOUTSCMPO-UHFFFAOYSA-N 0 1 393.184 3.428 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1Br ZINC000454179281 567151426 /nfs/dbraw/zinc/15/14/26/567151426.db2.gz JDOTWDVSFMMARX-FRRDWIJNSA-N 0 1 384.318 3.253 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000566363000 567151743 /nfs/dbraw/zinc/15/17/43/567151743.db2.gz YCRRSLZDLKLLKB-HNNXBMFYSA-N 0 1 384.259 3.320 20 0 GGADMN NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474259265 567152175 /nfs/dbraw/zinc/15/21/75/567152175.db2.gz NBPVLQKYLSQLKL-JTQLQIEISA-N 0 1 395.219 3.435 20 0 GGADMN NC(=O)C[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474259265 567152180 /nfs/dbraw/zinc/15/21/80/567152180.db2.gz NBPVLQKYLSQLKL-JTQLQIEISA-N 0 1 395.219 3.435 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000474254955 567152475 /nfs/dbraw/zinc/15/24/75/567152475.db2.gz QDDFPZNEOKBZFD-CYBMUJFWSA-N 0 1 397.313 3.129 20 0 GGADMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474265109 567152750 /nfs/dbraw/zinc/15/27/50/567152750.db2.gz HTOUPWWKPNXRRW-LLVKDONJSA-N 0 1 395.219 3.306 20 0 GGADMN CNC(=O)[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474265109 567152754 /nfs/dbraw/zinc/15/27/54/567152754.db2.gz HTOUPWWKPNXRRW-LLVKDONJSA-N 0 1 395.219 3.306 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000498105207 567153209 /nfs/dbraw/zinc/15/32/09/567153209.db2.gz AJGIRJAFKUOUFN-CYBMUJFWSA-N 0 1 377.539 3.388 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000454187437 567153306 /nfs/dbraw/zinc/15/33/06/567153306.db2.gz SXFSIGORSWNHNZ-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN CN(c1ccc(CNCc2cnc(-c3ccco3)s2)cc1)S(C)(=O)=O ZINC000683768586 567153424 /nfs/dbraw/zinc/15/34/24/567153424.db2.gz HUSPDWFAOXIKPO-UHFFFAOYSA-N 0 1 377.491 3.089 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000474275810 567153649 /nfs/dbraw/zinc/15/36/49/567153649.db2.gz IFLDSXKPNKTUJV-MAUKXSAKSA-N 0 1 382.287 3.325 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000636487707 567153849 /nfs/dbraw/zinc/15/38/49/567153849.db2.gz WLFMJLZGWQKCIH-UHFFFAOYSA-N 0 1 381.885 3.484 20 0 GGADMN OC[C@H]1c2ccccc2CCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000474275812 567154332 /nfs/dbraw/zinc/15/43/32/567154332.db2.gz IFLDSXKPNKTUJV-YJBOKZPZSA-N 0 1 382.287 3.325 20 0 GGADMN CC(C)Sc1cccc(Cl)c1CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000474267525 567154666 /nfs/dbraw/zinc/15/46/66/567154666.db2.gz UGHQJOCHNIQSMS-CYBMUJFWSA-N 0 1 376.975 3.341 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000589095240 567155168 /nfs/dbraw/zinc/15/51/68/567155168.db2.gz STUQMXWWBJLESQ-MCIONIFRSA-N 0 1 389.323 3.376 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000589095238 567155338 /nfs/dbraw/zinc/15/53/38/567155338.db2.gz STUQMXWWBJLESQ-HZSPNIEDSA-N 0 1 389.323 3.376 20 0 GGADMN OC[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000474282179 567155376 /nfs/dbraw/zinc/15/53/76/567155376.db2.gz YTFXCVFTIHRPHC-YJBOKZPZSA-N 0 1 382.287 3.325 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000615064978 567155557 /nfs/dbraw/zinc/15/55/57/567155557.db2.gz IHEDXDSJFJGMHO-QMMMGPOBSA-N 0 1 383.221 3.164 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000589093098 567156038 /nfs/dbraw/zinc/15/60/38/567156038.db2.gz QXUHKMVBPWQSBQ-CXAGYDPISA-N 0 1 389.323 3.234 20 0 GGADMN Cc1ccc(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)c(=O)n1C ZINC000683820555 567157022 /nfs/dbraw/zinc/15/70/22/567157022.db2.gz LSQDNSMOAHDAOA-MSOLQXFVSA-N 0 1 391.309 3.466 20 0 GGADMN C[C@@H](C(=O)N1CCC(N2CCOC[C@H]2C)CC1)c1cccc(Br)c1 ZINC000615086158 567157180 /nfs/dbraw/zinc/15/71/80/567157180.db2.gz BVCNNSXGEWDHRP-HUUCEWRRSA-N 0 1 395.341 3.264 20 0 GGADMN Cc1ccc(Br)cc1CC(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615083692 567157600 /nfs/dbraw/zinc/15/76/00/567157600.db2.gz MIXSCJDDYXIZFF-HNNXBMFYSA-N 0 1 395.341 3.012 20 0 GGADMN COc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1NC(N)=O ZINC000474302547 567157967 /nfs/dbraw/zinc/15/79/67/567157967.db2.gz MABVXJJKSVZHGP-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615089646 567158030 /nfs/dbraw/zinc/15/80/30/567158030.db2.gz LWFYDPZLYUWHJI-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1cc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c(Br)s1 ZINC000615088013 567158193 /nfs/dbraw/zinc/15/81/93/567158193.db2.gz AKNQYKGXMQDBCU-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN C[C@@H](C(=O)N1CCC(N2CCOC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000615086159 567158243 /nfs/dbraw/zinc/15/82/43/567158243.db2.gz BVCNNSXGEWDHRP-LSDHHAIUSA-N 0 1 395.341 3.264 20 0 GGADMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H](N)CC(F)F ZINC000498205160 567158359 /nfs/dbraw/zinc/15/83/59/567158359.db2.gz NSMZXYMMNAEEKC-LLVKDONJSA-N 0 1 382.238 3.153 20 0 GGADMN C[C@H](C(=O)N1CCC(N2CCOC[C@@H]2C)CC1)c1ccc(Br)cc1 ZINC000615090111 567158360 /nfs/dbraw/zinc/15/83/60/567158360.db2.gz PSAIAUXYEASPJF-GJZGRUSLSA-N 0 1 395.341 3.264 20 0 GGADMN C[C@@H](C(=O)N1CCC(N2CCOC[C@H]2C)CC1)c1ccc(Br)cc1 ZINC000615090112 567158409 /nfs/dbraw/zinc/15/84/09/567158409.db2.gz PSAIAUXYEASPJF-HUUCEWRRSA-N 0 1 395.341 3.264 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566451093 567158993 /nfs/dbraw/zinc/15/89/93/567158993.db2.gz OUOADCJWKUSQCL-MKBNYLNASA-N 0 1 380.286 3.243 20 0 GGADMN Cc1c(Cl)cccc1C(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000683872471 567159037 /nfs/dbraw/zinc/15/90/37/567159037.db2.gz XKSXMNQXNJPBMH-AWEZNQCLSA-N 0 1 380.210 3.473 20 0 GGADMN CC1(C)CCN(CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000566435883 567159086 /nfs/dbraw/zinc/15/90/86/567159086.db2.gz RGRNWLMKTPMJRY-UHFFFAOYSA-N 0 1 395.341 3.303 20 0 GGADMN CCN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C[C@@H]1C ZINC000683862875 567159139 /nfs/dbraw/zinc/15/91/39/567159139.db2.gz HWEVQBBGWCOJLK-AWEZNQCLSA-N 0 1 377.941 3.482 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000566449658 567159544 /nfs/dbraw/zinc/15/95/44/567159544.db2.gz ZDSFTGJOJQRTOA-IAQYHMDHSA-N 0 1 378.270 3.333 20 0 GGADMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000546797960 567160008 /nfs/dbraw/zinc/16/00/08/567160008.db2.gz PYFYXGGNLJPJQH-OFQRWUPVSA-N 0 1 378.460 3.424 20 0 GGADMN CCN1C[C@H](C)N(C(=O)NCc2cc(OC)ccc2Br)C[C@@H]1C ZINC000498222169 567160088 /nfs/dbraw/zinc/16/00/88/567160088.db2.gz QSQCJWVWZGBTMH-STQMWFEESA-N 0 1 384.318 3.082 20 0 GGADMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)[C@H](C)C(F)(F)F ZINC000546797958 567160093 /nfs/dbraw/zinc/16/00/93/567160093.db2.gz PYFYXGGNLJPJQH-IIAWOOMASA-N 0 1 378.460 3.424 20 0 GGADMN CC[C@@H](C)[C@](C)(O)CNCc1ncc(Br)cc1Br ZINC000474347756 567160779 /nfs/dbraw/zinc/16/07/79/567160779.db2.gz FTIMNMBOSWKYOW-NOZJJQNGSA-N 0 1 380.124 3.493 20 0 GGADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)NCc1cccc(Cl)c1Cl ZINC000636668873 567161510 /nfs/dbraw/zinc/16/15/10/567161510.db2.gz JTMIFRDLRYURGR-UHFFFAOYSA-N 0 1 384.267 3.005 20 0 GGADMN O=C1CCC[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)N1 ZINC000683931318 567162754 /nfs/dbraw/zinc/16/27/54/567162754.db2.gz CAAYGGKUZKWDIF-ZDUSSCGKSA-N 0 1 380.311 3.331 20 0 GGADMN O=S(=O)(NCCCc1nc2c(s1)CCCC2)c1c(F)cc(F)cc1F ZINC000589172220 567162929 /nfs/dbraw/zinc/16/29/29/567162929.db2.gz QXWQJGLDCKLSDN-UHFFFAOYSA-N 0 1 390.452 3.350 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1COc2cc(F)ccc2C1 ZINC000566501593 567163461 /nfs/dbraw/zinc/16/34/61/567163461.db2.gz YEOWJXPHLBDCOX-HNNXBMFYSA-N 0 1 383.872 3.366 20 0 GGADMN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)C[C@@H](C)OC ZINC000589189346 567164712 /nfs/dbraw/zinc/16/47/12/567164712.db2.gz RHOIENPGKCFWIN-CYBMUJFWSA-N 0 1 388.302 3.166 20 0 GGADMN CN(C)c1ccncc1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000546864285 567167064 /nfs/dbraw/zinc/16/70/64/567167064.db2.gz IAFBWVFMJWOIES-UHFFFAOYSA-N 0 1 387.281 3.364 20 0 GGADMN CCOc1cc(CNC(=O)c2cccc(Br)c2O)ccc1OC ZINC000523702608 567167146 /nfs/dbraw/zinc/16/71/46/567167146.db2.gz JMDDICOLBXUEIQ-UHFFFAOYSA-N 0 1 380.238 3.492 20 0 GGADMN C[C@@H](NCc1cccc(I)c1)C(=O)N1CCCC[C@H]1C ZINC000566575599 567168264 /nfs/dbraw/zinc/16/82/64/567168264.db2.gz FPCBYRXNVAEISJ-CHWSQXEVSA-N 0 1 386.277 3.170 20 0 GGADMN CCc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nc(C)n1 ZINC000546883106 567168204 /nfs/dbraw/zinc/16/82/04/567168204.db2.gz COMKVEUIDLLDLL-UHFFFAOYSA-N 0 1 375.372 3.089 20 0 GGADMN CN1C(=O)C[C@@H](c2nc(C3(N)CCC3)no2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000566560929 567168365 /nfs/dbraw/zinc/16/83/65/567168365.db2.gz JDCJPNIMSICSOQ-YGRLFVJLSA-N 0 1 381.263 3.401 20 0 GGADMN Cc1cc(Cl)cc2c1N(C(=O)c1ccc(NS(C)(=O)=O)nc1)CCC2 ZINC000636880609 567170620 /nfs/dbraw/zinc/17/06/20/567170620.db2.gz KVXCJOHCOCTCPE-UHFFFAOYSA-N 0 1 379.869 3.008 20 0 GGADMN CCc1n[nH]c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1Br ZINC000684040631 567170911 /nfs/dbraw/zinc/17/09/11/567170911.db2.gz AVYKSYUXWHYRIH-UHFFFAOYSA-N 0 1 391.313 3.083 20 0 GGADMN Cc1sc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1CS(C)(=O)=O ZINC000474435085 567171434 /nfs/dbraw/zinc/17/14/34/567171434.db2.gz MDDVPBHKKCDCLY-UHFFFAOYSA-N 0 1 377.846 3.352 20 0 GGADMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(Cl)cn1 ZINC000566596449 567171473 /nfs/dbraw/zinc/17/14/73/567171473.db2.gz OAGGRHOKWINLCO-AWEZNQCLSA-N 0 1 379.913 3.468 20 0 GGADMN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000474431634 567171843 /nfs/dbraw/zinc/17/18/43/567171843.db2.gz OMWQETPSIQTCPM-UHFFFAOYSA-N 0 1 386.832 3.124 20 0 GGADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnn1C(C)C ZINC000589263296 567172193 /nfs/dbraw/zinc/17/21/93/567172193.db2.gz JTJILIJEFKMJFJ-UHFFFAOYSA-N 0 1 388.287 3.426 20 0 GGADMN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000684048810 567172858 /nfs/dbraw/zinc/17/28/58/567172858.db2.gz HJVGFRMQKBVSCS-GFCCVEGCSA-N 0 1 385.917 3.074 20 0 GGADMN CC[C@H](NCc1cnn(-c2ccc(Br)cc2)c1)[C@@H](O)C(F)(F)F ZINC000498358916 567173082 /nfs/dbraw/zinc/17/30/82/567173082.db2.gz KCNMZPFTAHYNNY-UONOGXRCSA-N 0 1 392.219 3.426 20 0 GGADMN CC[C@@H](CNC(=O)c1ccc(Br)cn1)N1CCc2ccccc2C1 ZINC000589306301 567173304 /nfs/dbraw/zinc/17/33/04/567173304.db2.gz AZWOWHSNVOOXBH-KRWDZBQOSA-N 0 1 388.309 3.411 20 0 GGADMN CC[C@H](NCc1cc(Br)c2c(c1)OCCCO2)[C@H](O)C(F)(F)F ZINC000498368707 567173469 /nfs/dbraw/zinc/17/34/69/567173469.db2.gz BZBUFKOZJCJLBJ-FZMZJTMJSA-N 0 1 398.219 3.402 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c1Br ZINC000684059879 567173618 /nfs/dbraw/zinc/17/36/18/567173618.db2.gz CMUQMVHXHCDDJM-GFCCVEGCSA-N 0 1 382.233 3.167 20 0 GGADMN CC[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)[C@H](O)C(F)(F)F ZINC000498368708 567173513 /nfs/dbraw/zinc/17/35/13/567173513.db2.gz BZBUFKOZJCJLBJ-RISCZKNCSA-N 0 1 398.219 3.402 20 0 GGADMN CC[C@H](NCc1cc(Br)c2c(c1)OCCO2)[C@@H](O)C(F)(F)F ZINC000498380565 567174405 /nfs/dbraw/zinc/17/44/05/567174405.db2.gz KIAYJDAJURHLLH-GXFFZTMASA-N 0 1 384.192 3.012 20 0 GGADMN CC[C@@H](NCc1cc(Br)c2c(c1)OCCO2)[C@@H](O)C(F)(F)F ZINC000498380567 567175021 /nfs/dbraw/zinc/17/50/21/567175021.db2.gz KIAYJDAJURHLLH-ZWNOBZJWSA-N 0 1 384.192 3.012 20 0 GGADMN CN1CCCC[C@@H]1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000684074116 567175567 /nfs/dbraw/zinc/17/55/67/567175567.db2.gz FQSYRNZZQDOPRT-QGZVFWFLSA-N 0 1 380.330 3.336 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2F)o1 ZINC000432641267 567175896 /nfs/dbraw/zinc/17/58/96/567175896.db2.gz IHHRRNAPVNAXJK-UHFFFAOYSA-N 0 1 392.202 3.077 20 0 GGADMN COC[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000432639346 567176800 /nfs/dbraw/zinc/17/68/00/567176800.db2.gz WIONCTKWKIELAM-LZDSYCOUSA-N 0 1 389.323 3.343 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cc(Br)sc2Br)n1 ZINC000523944497 567177481 /nfs/dbraw/zinc/17/74/81/567177481.db2.gz HFIJXUYLZYMHPL-UHFFFAOYSA-N 0 1 398.105 3.365 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)ccc1Cl ZINC000432651652 567177513 /nfs/dbraw/zinc/17/75/13/567177513.db2.gz IVNWKMRWEDXYDW-UHFFFAOYSA-N 0 1 396.774 3.486 20 0 GGADMN C[C@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000684099762 567178552 /nfs/dbraw/zinc/17/85/52/567178552.db2.gz YGEPMCROECDKKL-KBPBESRZSA-N 0 1 390.307 3.003 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2F)s1 ZINC000589434481 567178844 /nfs/dbraw/zinc/17/88/44/567178844.db2.gz DSIITYXJCDEQJN-UHFFFAOYSA-N 0 1 387.458 3.137 20 0 GGADMN C[C@@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000566687187 567179896 /nfs/dbraw/zinc/17/98/96/567179896.db2.gz XEBIXVQCYOAGFB-RHSMWYFYSA-N 0 1 376.298 3.400 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNCc1cnc(N(C)C)s1 ZINC000566692020 567180370 /nfs/dbraw/zinc/18/03/70/567180370.db2.gz NQHFEKSUQPCXDF-UHFFFAOYSA-N 0 1 383.315 3.008 20 0 GGADMN COCCN(CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cncs1 ZINC000684106876 567180507 /nfs/dbraw/zinc/18/05/07/567180507.db2.gz XELCHQZUXRNNND-UHFFFAOYSA-N 0 1 383.901 3.282 20 0 GGADMN O[C@H]([C@@H]1CCCN1C[C@H](O)COc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000524080908 567181055 /nfs/dbraw/zinc/18/10/55/567181055.db2.gz AGJOZWRVXOQTAT-VHRBIJSZSA-N 0 1 388.213 3.121 20 0 GGADMN Cc1ccccc1S(=O)(=O)Nc1cc(Br)ccc1-n1cncn1 ZINC000524057863 567182045 /nfs/dbraw/zinc/18/20/45/567182045.db2.gz KNVVXWIVIXQFNW-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN COCCN1CC[C@@H](NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000524135372 567182726 /nfs/dbraw/zinc/18/27/26/567182726.db2.gz CTYKGOGCPBNRMU-CQSZACIVSA-N 0 1 386.323 3.388 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(C)c(C(=O)OC)s2)c1 ZINC000589549853 567182733 /nfs/dbraw/zinc/18/27/33/567182733.db2.gz JFHRRQDRJFOKEL-UHFFFAOYSA-N 0 1 389.882 3.444 20 0 GGADMN COC(=O)Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000589554892 567183447 /nfs/dbraw/zinc/18/34/47/567183447.db2.gz FLBOSPSVOPJUEI-UHFFFAOYSA-N 0 1 390.244 3.215 20 0 GGADMN O=C(CCn1cc(Cl)cn1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000524129581 567183714 /nfs/dbraw/zinc/18/37/14/567183714.db2.gz DOKDOMMMIJWMLQ-UHFFFAOYSA-N 0 1 395.648 3.113 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)OC)s2)c1 ZINC000589587258 567185118 /nfs/dbraw/zinc/18/51/18/567185118.db2.gz SWRJGTZBQDMLOS-UHFFFAOYSA-N 0 1 375.855 3.135 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1coc(-c3ccc(Br)cc3F)n1)C2 ZINC000684172509 567185366 /nfs/dbraw/zinc/18/53/66/567185366.db2.gz HFRAFPXNSJFETN-UHFFFAOYSA-N 0 1 394.244 3.021 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccn(-c3cccc(Br)c3)n2)C[C@H]1C ZINC000498550748 567186121 /nfs/dbraw/zinc/18/61/21/567186121.db2.gz RGXDCIOMCGWDPM-ZIAGYGMSSA-N 0 1 391.313 3.190 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@H]1C ZINC000498554876 567186198 /nfs/dbraw/zinc/18/61/98/567186198.db2.gz NAFXKCGZIBWUMN-KGLIPLIRSA-N 0 1 391.313 3.190 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C ZINC000498556818 567186260 /nfs/dbraw/zinc/18/62/60/567186260.db2.gz SDGXCPQZDSOSDP-CHWSQXEVSA-N 0 1 378.314 3.414 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(OC)c(Br)c(OC)c2)C[C@H]1C ZINC000498554998 567186285 /nfs/dbraw/zinc/18/62/85/567186285.db2.gz NWDFBMHFDZGOKC-VXGBXAGGSA-N 0 1 385.302 3.021 20 0 GGADMN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000432763357 567186317 /nfs/dbraw/zinc/18/63/17/567186317.db2.gz BNROOKBPHZRRMW-UHFFFAOYSA-N 0 1 387.816 3.384 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C ZINC000498553613 567186586 /nfs/dbraw/zinc/18/65/86/567186586.db2.gz GYBOTBBSBOIYKE-KGLIPLIRSA-N 0 1 391.313 3.190 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CNc2ccnn2C1 ZINC000684196768 567187092 /nfs/dbraw/zinc/18/70/92/567187092.db2.gz UEMHPQZXSDZKLN-GFCCVEGCSA-N 0 1 382.295 3.192 20 0 GGADMN CC[C@@]1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000474656413 567187185 /nfs/dbraw/zinc/18/71/85/567187185.db2.gz KWQVOHUWFCRAEV-KRWDZBQOSA-N 0 1 378.270 3.480 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@@H]1C ZINC000498571720 567187809 /nfs/dbraw/zinc/18/78/09/567187809.db2.gz WRKQBLHGYQSCCA-QWHCGFSZSA-N 0 1 378.314 3.414 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cccc(C)c2I)C[C@@H]1C ZINC000498574382 567188105 /nfs/dbraw/zinc/18/81/05/567188105.db2.gz GUAKWXBUFNGRBQ-QWHCGFSZSA-N 0 1 386.277 3.154 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@@H]1C ZINC000498577352 567188432 /nfs/dbraw/zinc/18/84/32/567188432.db2.gz OCNKXHCUQSUHKK-UONOGXRCSA-N 0 1 391.313 3.190 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)Nc3nc(SC)n[nH]3)cc21 ZINC000589691866 567190667 /nfs/dbraw/zinc/19/06/67/567190667.db2.gz IQRCEBBIHAHIKH-UHFFFAOYSA-N 0 1 382.243 3.031 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000566782697 567190794 /nfs/dbraw/zinc/19/07/94/567190794.db2.gz GNIWJMDNHZTTAW-QPUJVOFHSA-N 0 1 396.264 3.316 20 0 GGADMN Cn1nc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)c2ccccc21 ZINC000589645819 567190966 /nfs/dbraw/zinc/19/09/66/567190966.db2.gz YXJCMLGBDKITRW-GFCCVEGCSA-N 0 1 380.275 3.410 20 0 GGADMN Cc1nc(-c2cc3c(s2)CCN(C[C@@H](O)COCC(F)(F)F)C3)cs1 ZINC000432781149 567191206 /nfs/dbraw/zinc/19/12/06/567191206.db2.gz MVGGCLMCBQXXOH-GFCCVEGCSA-N 0 1 392.468 3.478 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)c(C)c1 ZINC000524297653 567192156 /nfs/dbraw/zinc/19/21/56/567192156.db2.gz PEDINMRJZBZCMY-UHFFFAOYSA-N 0 1 376.459 3.485 20 0 GGADMN CN(CCCNC(=O)C1CCC1)Cc1cc(Br)cc2c1OCC2 ZINC000432793601 567192503 /nfs/dbraw/zinc/19/25/03/567192503.db2.gz PLRFAVIKTYCFKD-UHFFFAOYSA-N 0 1 381.314 3.122 20 0 GGADMN CCn1cc(CN(C)C(=O)c2n[nH]c(-c3ccccc3)c2Br)cn1 ZINC000524342293 567194375 /nfs/dbraw/zinc/19/43/75/567194375.db2.gz FVTYNOAGMYXDKN-UHFFFAOYSA-N 0 1 388.269 3.328 20 0 GGADMN CC(C)(C)C[C@H](O)CNCc1c(F)ccc(I)c1F ZINC000474713318 567194353 /nfs/dbraw/zinc/19/43/53/567194353.db2.gz LUYGTUXUHPUBHI-VIFPVBQESA-N 0 1 383.220 3.456 20 0 GGADMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000566849711 567195568 /nfs/dbraw/zinc/19/55/68/567195568.db2.gz SDUCAHRLJFXFDC-HNNXBMFYSA-N 0 1 393.329 3.209 20 0 GGADMN C[C@@](N)(C(=O)N1CCc2cccc(F)c2C1)c1ccc(Br)cc1 ZINC000566854558 567195623 /nfs/dbraw/zinc/19/56/23/567195623.db2.gz YRHXQGPKQKLVIZ-SFHVURJKSA-N 0 1 377.257 3.347 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)n[nH]1 ZINC000637370948 567195682 /nfs/dbraw/zinc/19/56/82/567195682.db2.gz VJBHPHIGFBEXST-RNFRBKRXSA-N 0 1 388.216 3.275 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2F)CC1 ZINC000566847920 567196105 /nfs/dbraw/zinc/19/61/05/567196105.db2.gz BBUBJPHHRPUKQY-ZDUSSCGKSA-N 0 1 376.925 3.361 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000498710804 567196060 /nfs/dbraw/zinc/19/60/60/567196060.db2.gz REYZGCNYTQLQIL-GFCCVEGCSA-N 0 1 377.286 3.005 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000498710805 567196112 /nfs/dbraw/zinc/19/61/12/567196112.db2.gz REYZGCNYTQLQIL-LBPRGKRZSA-N 0 1 377.286 3.005 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000524380223 567196178 /nfs/dbraw/zinc/19/61/78/567196178.db2.gz UIDWQRFXVHDEIR-UHFFFAOYSA-N 0 1 383.344 3.493 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H](OCC(F)(F)F)C1)c1ccsc1 ZINC000615672509 567197445 /nfs/dbraw/zinc/19/74/45/567197445.db2.gz XFAVYNPBSIHQFA-ZIAGYGMSSA-N 0 1 379.448 3.104 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000589887689 567197563 /nfs/dbraw/zinc/19/75/63/567197563.db2.gz DBUYXISYAJLREA-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@H](OCC(F)(F)F)C1)c1ccsc1 ZINC000615672508 567197621 /nfs/dbraw/zinc/19/76/21/567197621.db2.gz XFAVYNPBSIHQFA-UONOGXRCSA-N 0 1 379.448 3.104 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@H](OCC(F)(F)F)C1)c1ccsc1 ZINC000615672506 567197885 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Cc1cc(S(=O)(=O)NCCN[C@H](c2ccc(F)cn2)C(C)C)c(C)s1 ZINC000498767335 567199378 /nfs/dbraw/zinc/19/93/78/567199378.db2.gz MFRWMSNIXVLQME-KRWDZBQOSA-N 0 1 385.530 3.164 20 0 GGADMN O=S1(=O)CCC[C@@H]1CNCc1ccc(Br)cc1C(F)(F)F ZINC000474807465 567200431 /nfs/dbraw/zinc/20/04/31/567200431.db2.gz HXGBEQKJJBIWHE-LLVKDONJSA-N 0 1 386.233 3.135 20 0 GGADMN C[NH2+][C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)c1cccc(Cl)c1Cl ZINC000659300271 567201866 /nfs/dbraw/zinc/20/18/66/567201866.db2.gz OPZAVJFGKCXPBB-PBHICJAKSA-N 0 1 382.291 3.079 20 0 GGADMN C[C@@]1(CO)CCC[C@H]1NCc1c(F)ccc(I)c1F ZINC000474810444 567202716 /nfs/dbraw/zinc/20/27/16/567202716.db2.gz ORWIKFOKUQZHRQ-OCCSQVGLSA-N 0 1 381.204 3.210 20 0 GGADMN CC(C)(CS(C)(=O)=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000474934469 567211687 /nfs/dbraw/zinc/21/16/87/567211687.db2.gz QBSWUGZYYDJRJV-UHFFFAOYSA-N 0 1 388.249 3.381 20 0 GGADMN NC(=O)c1ccccc1N1CC[C@@H](NCc2c(F)cccc2Br)C1 ZINC000684378721 567204496 /nfs/dbraw/zinc/20/44/96/567204496.db2.gz JBTMAOCJLNPQIT-GFCCVEGCSA-N 0 1 392.272 3.056 20 0 GGADMN O=C(Cc1ccc(Br)cc1F)N1CCNC[C@@H]1c1ccccc1 ZINC000659323706 567205320 /nfs/dbraw/zinc/20/53/20/567205320.db2.gz ZMXAEIFLHWCUGM-QGZVFWFLSA-N 0 1 377.257 3.304 20 0 GGADMN CCN(Cc1cc(Br)ccc1F)C[C@H](O)COCC(F)(F)F ZINC000432933323 567205901 /nfs/dbraw/zinc/20/59/01/567205901.db2.gz TXKSQUNOGDTZDA-LBPRGKRZSA-N 0 1 388.199 3.350 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000566954011 567206171 /nfs/dbraw/zinc/20/61/71/567206171.db2.gz RWMMEBSHPRSOHP-UHFFFAOYSA-N 0 1 393.285 3.067 20 0 GGADMN Nc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000547384822 567206146 /nfs/dbraw/zinc/20/61/46/567206146.db2.gz MKBRVEBSDQHFDJ-INIZCTEOSA-N 0 1 376.869 3.324 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2cc(Cl)ccc2Br)n[nH]1 ZINC000566971548 567206324 /nfs/dbraw/zinc/20/63/24/567206324.db2.gz MYIFDYGAKTVFNN-QMMMGPOBSA-N 0 1 386.681 3.343 20 0 GGADMN C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000684424693 567207790 /nfs/dbraw/zinc/20/77/90/567207790.db2.gz VXQBSPVIBXATEA-NSHDSACASA-N 0 1 384.299 3.066 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000615818544 567207816 /nfs/dbraw/zinc/20/78/16/567207816.db2.gz XFTGUXVYPSEDIN-LLVKDONJSA-N 0 1 383.901 3.093 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000524656056 567207955 /nfs/dbraw/zinc/20/79/55/567207955.db2.gz SEFAADLSNFIXQY-IUODEOHRSA-N 0 1 397.313 3.272 20 0 GGADMN O=C(Cc1n[nH]c2ccccc21)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498878041 567207992 /nfs/dbraw/zinc/20/79/92/567207992.db2.gz XEAOQKCOXUVMJO-UHFFFAOYSA-N 0 1 396.248 3.114 20 0 GGADMN CC(C)CS(=O)(=O)CCC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615815273 567208225 /nfs/dbraw/zinc/20/82/25/567208225.db2.gz GQGHITCDIHFYNR-LBPRGKRZSA-N 0 1 385.917 3.197 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000615818550 567208394 /nfs/dbraw/zinc/20/83/94/567208394.db2.gz XFTGUXVYPSEDIN-NSHDSACASA-N 0 1 383.901 3.093 20 0 GGADMN Cc1nc(CC(=O)NCC2(c3ccccc3Br)CCCCC2)n[nH]1 ZINC000615830483 567209299 /nfs/dbraw/zinc/20/92/99/567209299.db2.gz CGZYKECKSLJXKY-UHFFFAOYSA-N 0 1 391.313 3.436 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C ZINC000498916863 567211272 /nfs/dbraw/zinc/21/12/72/567211272.db2.gz JHJAARFDOGULHB-GHMZBOCLSA-N 0 1 385.331 3.475 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C ZINC000498915089 567211341 /nfs/dbraw/zinc/21/13/41/567211341.db2.gz FERVJUQBZAJJII-UONOGXRCSA-N 0 1 393.329 3.337 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000590166942 567211392 /nfs/dbraw/zinc/21/13/92/567211392.db2.gz AACOHYGEKQFBGZ-IAGOWNOFSA-N 0 1 380.330 3.431 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(-c3ccc(Br)s3)no2)C[C@@H]1C ZINC000498916865 567211575 /nfs/dbraw/zinc/21/15/75/567211575.db2.gz JHJAARFDOGULHB-QWRGUYRKSA-N 0 1 385.331 3.475 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000590171107 567211884 /nfs/dbraw/zinc/21/18/84/567211884.db2.gz SCINCHXQQWIMIV-KRWDZBQOSA-N 0 1 380.330 3.420 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C ZINC000498915088 567212064 /nfs/dbraw/zinc/21/20/64/567212064.db2.gz FERVJUQBZAJJII-KGLIPLIRSA-N 0 1 393.329 3.337 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000590192341 567212828 /nfs/dbraw/zinc/21/28/28/567212828.db2.gz BEVIUWNAFYJRMU-MNOVXSKESA-N 0 1 388.281 3.109 20 0 GGADMN CCN1C[C@H](C)N(Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1C ZINC000498929277 567213657 /nfs/dbraw/zinc/21/36/57/567213657.db2.gz NJVQCSCZMSPGOX-STQMWFEESA-N 0 1 379.302 3.414 20 0 GGADMN COCCN1CC[C@@H](N[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000498922112 567213968 /nfs/dbraw/zinc/21/39/68/567213968.db2.gz BZPQRKZERIZQRT-SJLPKXTDSA-N 0 1 379.298 3.442 20 0 GGADMN COC[C@H](N[C@H](C)c1ccccc1I)[C@@H]1CCCO1 ZINC000432997027 567214216 /nfs/dbraw/zinc/21/42/16/567214216.db2.gz JNWKEKKJTMXPLA-UGFHNGPFSA-N 0 1 375.250 3.136 20 0 GGADMN C[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000567080729 567215366 /nfs/dbraw/zinc/21/53/66/567215366.db2.gz XUCORWRJGIPRCT-GXTWGEPZSA-N 0 1 394.368 3.305 20 0 GGADMN C[C@H](NCC1(CO)CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554421 567215736 /nfs/dbraw/zinc/21/57/36/567215736.db2.gz AVLJIFNKWFELDT-NSHDSACASA-N 0 1 395.352 3.234 20 0 GGADMN C[C@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000547514513 567215849 /nfs/dbraw/zinc/21/58/49/567215849.db2.gz XBPWPJHBMBRXEA-ZUZCIYMTSA-N 0 1 393.260 3.446 20 0 GGADMN O=C(Cn1cnc2ccccc21)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000590271503 567217509 /nfs/dbraw/zinc/21/75/09/567217509.db2.gz QUCOEWSSXBEUHC-UHFFFAOYSA-N 0 1 397.236 3.223 20 0 GGADMN O=C(CN1CCc2ccccc21)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000590271601 567217860 /nfs/dbraw/zinc/21/78/60/567217860.db2.gz YMGXPSLITODDHJ-UHFFFAOYSA-N 0 1 398.264 3.235 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Br)N(C)C[C@H](O)Cc1ccccc1 ZINC000433054044 567218399 /nfs/dbraw/zinc/21/83/99/567218399.db2.gz TYVPECGPUSJHRU-GOEBONIOSA-N 0 1 391.309 3.312 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@H](O)Cc1ccccc1 ZINC000433059039 567218656 /nfs/dbraw/zinc/21/86/56/567218656.db2.gz CAWAPEKWHOQILE-RDTXWAMCSA-N 0 1 391.309 3.312 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100660 567218903 /nfs/dbraw/zinc/21/89/03/567218903.db2.gz VVYBEXMTGOFRFP-STQMWFEESA-N 0 1 382.835 3.264 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+]2CCCC[C@@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100660 567218906 /nfs/dbraw/zinc/21/89/06/567218906.db2.gz VVYBEXMTGOFRFP-STQMWFEESA-N 0 1 382.835 3.264 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000684588320 567219319 /nfs/dbraw/zinc/21/93/19/567219319.db2.gz BJSZTZHMPDUDJF-FZKQIMNGSA-N 0 1 382.913 3.318 20 0 GGADMN CC(C)(NC(=O)c1ccc(-c2ccc(Br)cc2)s1)c1nn[nH]n1 ZINC000475005433 567219349 /nfs/dbraw/zinc/21/93/49/567219349.db2.gz AUQKQLVLSBDJGY-UHFFFAOYSA-N 0 1 392.282 3.356 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000567116830 567219948 /nfs/dbraw/zinc/21/99/48/567219948.db2.gz NUHRGYJITPVSBE-CYBMUJFWSA-N 0 1 382.309 3.198 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N(C)C[C@H](O)Cc1ccccc1 ZINC000433072509 567220443 /nfs/dbraw/zinc/22/04/43/567220443.db2.gz OPAFVDLHNCWNOL-RDTXWAMCSA-N 0 1 391.309 3.312 20 0 GGADMN CCCN(Cc1ccccc1Br)C(=O)NCCN1CCCOCC1 ZINC000454992073 567220415 /nfs/dbraw/zinc/22/04/15/567220415.db2.gz AZBGPIYGPWHOMZ-UHFFFAOYSA-N 0 1 398.345 3.093 20 0 GGADMN C[C@H]1COCCN1C1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000590386473 567222400 /nfs/dbraw/zinc/22/24/00/567222400.db2.gz AIKRUKSOOKENGE-HNNXBMFYSA-N 0 1 382.957 3.285 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433092221 567222743 /nfs/dbraw/zinc/22/27/43/567222743.db2.gz WSSCHFXVMCQROW-NSHDSACASA-N 0 1 386.253 3.447 20 0 GGADMN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000684629399 567223346 /nfs/dbraw/zinc/22/33/46/567223346.db2.gz ATUIWQWZFITIJS-GLJUWKHASA-N 0 1 390.307 3.003 20 0 GGADMN COc1cccc([C@@H](N)C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000637895313 567224028 /nfs/dbraw/zinc/22/40/28/567224028.db2.gz LGCFKYXZCHFVKA-APPDUMDISA-N 0 1 393.281 3.344 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000684629400 567224030 /nfs/dbraw/zinc/22/40/30/567224030.db2.gz ATUIWQWZFITIJS-HBUWYVDXSA-N 0 1 390.307 3.003 20 0 GGADMN Fc1ccc(I)c(F)c1CN[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000475088336 567224383 /nfs/dbraw/zinc/22/43/83/567224383.db2.gz MRVDKCPDYFHBIB-BZHVJNSISA-N 0 1 379.188 3.227 20 0 GGADMN CN(Cc1ccc(Br)cn1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475091009 567224785 /nfs/dbraw/zinc/22/47/85/567224785.db2.gz ILNMYSQBFAWTAS-ZFWWWQNUSA-N 0 1 399.333 3.345 20 0 GGADMN COc1cccc(C[C@H](N)C(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000637935700 567225955 /nfs/dbraw/zinc/22/59/55/567225955.db2.gz POOGGGHWXLPQDE-HNNXBMFYSA-N 0 1 383.311 3.048 20 0 GGADMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(I)cc2)C1 ZINC000590417863 567226182 /nfs/dbraw/zinc/22/61/82/567226182.db2.gz NMEZYPJCINQVKV-NOZJJQNGSA-N 0 1 381.217 3.319 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)c1 ZINC000525013365 567226235 /nfs/dbraw/zinc/22/62/35/567226235.db2.gz WKHXRPKEOPJJLS-UHFFFAOYSA-N 0 1 384.841 3.110 20 0 GGADMN CO[C@H](C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CCC1 ZINC000659788485 567226289 /nfs/dbraw/zinc/22/62/89/567226289.db2.gz IYZCHVRRIZBUKX-GVDBMIGSSA-N 0 1 382.298 3.364 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000659796297 567226459 /nfs/dbraw/zinc/22/64/59/567226459.db2.gz KHCJWQLHOCETOY-USXIJHARSA-N 0 1 382.298 3.448 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000659791058 567226638 /nfs/dbraw/zinc/22/66/38/567226638.db2.gz LVNQTIBAEIYEDG-OAHLLOKOSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000659791058 567226640 /nfs/dbraw/zinc/22/66/40/567226640.db2.gz LVNQTIBAEIYEDG-OAHLLOKOSA-N 0 1 382.243 3.447 20 0 GGADMN CC(C)OC[C@@H](CO)N(C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000433167833 567226948 /nfs/dbraw/zinc/22/69/48/567226948.db2.gz OSAXNFDVIHMKEH-QGZVFWFLSA-N 0 1 394.313 3.124 20 0 GGADMN Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567228842 567227798 /nfs/dbraw/zinc/22/77/98/567227798.db2.gz AZLXFYURZVFRCG-JTQLQIEISA-N 0 1 375.226 3.252 20 0 GGADMN Cc1c(Cl)cccc1S(=O)(=O)Nc1nccc(-c2cncc(F)c2)n1 ZINC000433158305 567228019 /nfs/dbraw/zinc/22/80/19/567228019.db2.gz JJYDQMVDLVJWTA-UHFFFAOYSA-N 0 1 378.816 3.440 20 0 GGADMN CC[C@@H](CC(F)F)CN(Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000659818961 567228463 /nfs/dbraw/zinc/22/84/63/567228463.db2.gz AXECLLWCOOYMCV-HOCLYGCPSA-N 0 1 375.481 3.366 20 0 GGADMN NS(=O)(=O)c1cc(CN(Cc2cccc(O)c2)CC2CC2)ccc1Cl ZINC000637985286 567228894 /nfs/dbraw/zinc/22/88/94/567228894.db2.gz BHJLPDQEUORAEP-UHFFFAOYSA-N 0 1 380.897 3.105 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000590499257 567228969 /nfs/dbraw/zinc/22/89/69/567228969.db2.gz SEQPXPPWDBFCJT-VHSXEESVSA-N 0 1 376.869 3.274 20 0 GGADMN CS(=O)(=O)Cc1nc(CSc2nc(C=Cc3ccccc3)n[nH]2)cs1 ZINC000525110455 567229193 /nfs/dbraw/zinc/22/91/93/567229193.db2.gz MZIUXQSEPSLNMJ-FPLPWBNLSA-N 0 1 392.531 3.269 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000499169616 567229145 /nfs/dbraw/zinc/22/91/45/567229145.db2.gz NEGYJIWSNLHDQX-UHFFFAOYSA-N 0 1 383.466 3.446 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000590499256 567229414 /nfs/dbraw/zinc/22/94/14/567229414.db2.gz SEQPXPPWDBFCJT-UWVGGRQHSA-N 0 1 376.869 3.274 20 0 GGADMN CCn1cccc(CNCc2cc(Br)c3c(c2)OCCCO3)c1=O ZINC000433185920 567229590 /nfs/dbraw/zinc/22/95/90/567229590.db2.gz CEHNBXFPJGDQHO-UHFFFAOYSA-N 0 1 393.281 3.082 20 0 GGADMN O=C(CN(C[C@@H]1CCOC1)C1CC1)c1c[nH]c2ncc(Br)cc12 ZINC000659841497 567230215 /nfs/dbraw/zinc/23/02/15/567230215.db2.gz PEAJQBNRQDUEQY-NSHDSACASA-N 0 1 378.270 3.009 20 0 GGADMN CCn1nc(C)c(NC(=O)NCc2nc3cccc(Br)c3[nH]2)c1C ZINC000455073301 567230329 /nfs/dbraw/zinc/23/03/29/567230329.db2.gz YDBVMPKIAMMHJE-UHFFFAOYSA-N 0 1 391.273 3.480 20 0 GGADMN CCCS(=O)(=O)NC1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000659841596 567230799 /nfs/dbraw/zinc/23/07/99/567230799.db2.gz FWBSIJZNHWQKLL-UHFFFAOYSA-N 0 1 376.975 3.226 20 0 GGADMN CC(C)CC[C@@H](O)CNCc1c(Br)cncc1Br ZINC000567262465 567230847 /nfs/dbraw/zinc/23/08/47/567230847.db2.gz POLSIIUVCFXUBH-SNVBAGLBSA-N 0 1 380.124 3.493 20 0 GGADMN COC[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCCO1 ZINC000433195306 567231178 /nfs/dbraw/zinc/23/11/78/567231178.db2.gz TVJAJZRHVJAMKN-MSOLQXFVSA-N 0 1 394.313 3.227 20 0 GGADMN CCOc1cc(Br)ccc1NC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638033666 567231266 /nfs/dbraw/zinc/23/12/66/567231266.db2.gz MDFPRCUHZKWTIA-OAHLLOKOSA-N 0 1 393.281 3.365 20 0 GGADMN COC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCCO1 ZINC000433195308 567231595 /nfs/dbraw/zinc/23/15/95/567231595.db2.gz TVJAJZRHVJAMKN-ROUUACIJSA-N 0 1 394.313 3.227 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2ccccc2I)C[C@H]1C ZINC000499241246 567231769 /nfs/dbraw/zinc/23/17/69/567231769.db2.gz FBXXSMKWXULCND-NEPJUHHUSA-N 0 1 387.265 3.238 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(I)cc2)C[C@H]1C ZINC000499240648 567231964 /nfs/dbraw/zinc/23/19/64/567231964.db2.gz BFQMGCYZFDRHQW-VXGBXAGGSA-N 0 1 387.265 3.238 20 0 GGADMN Cc1nc(C(=O)NCCN2CCCCC2)nn1-c1c(Cl)cccc1Cl ZINC000590569724 567231892 /nfs/dbraw/zinc/23/18/92/567231892.db2.gz DQPGZJIMEFOPQD-UHFFFAOYSA-N 0 1 382.295 3.098 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2ccccc2I)C[C@@H]1C ZINC000499241247 567232040 /nfs/dbraw/zinc/23/20/40/567232040.db2.gz FBXXSMKWXULCND-NWDGAFQWSA-N 0 1 387.265 3.238 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(Br)s1 ZINC000525182290 567232240 /nfs/dbraw/zinc/23/22/40/567232240.db2.gz DKYCJGOVLPGKGF-HNNXBMFYSA-N 0 1 392.322 3.439 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2ccccc2I)C[C@@H]1C ZINC000499241248 567232647 /nfs/dbraw/zinc/23/26/47/567232647.db2.gz FBXXSMKWXULCND-RYUDHWBXSA-N 0 1 387.265 3.238 20 0 GGADMN 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NC(=O)Cc1ccc(CNCc2cc(Br)ccc2OC(F)F)cc1 ZINC000591718358 567291652 /nfs/dbraw/zinc/29/16/52/567291652.db2.gz YMIMUQOCNFKDDR-UHFFFAOYSA-N 0 1 399.235 3.368 20 0 GGADMN CSc1nnc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)s1 ZINC000526090140 567291763 /nfs/dbraw/zinc/29/17/63/567291763.db2.gz ZZDKHRFFSVGGNR-LBPRGKRZSA-N 0 1 385.946 3.016 20 0 GGADMN C[C@@]1(CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)OCCc2sccc21 ZINC000685661818 567291938 /nfs/dbraw/zinc/29/19/38/567291938.db2.gz JVKBUYGWYQVLGL-YJBOKZPZSA-N 0 1 381.494 3.183 20 0 GGADMN COc1cccc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)c1 ZINC000591682459 567292235 /nfs/dbraw/zinc/29/22/35/567292235.db2.gz XURRTTVQVRWENG-UHFFFAOYSA-N 0 1 375.475 3.381 20 0 GGADMN OCC[C@H](NCc1cnn2cc(Br)cnc12)c1ccc(Cl)cc1 ZINC000639183616 567292925 /nfs/dbraw/zinc/29/29/25/567292925.db2.gz YAOGYFQLAGBXTG-HNNXBMFYSA-N 0 1 395.688 3.359 20 0 GGADMN NC(=O)c1cnccc1N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000567954143 567293016 /nfs/dbraw/zinc/29/30/16/567293016.db2.gz RAHYSMXLXZAFSF-INIZCTEOSA-N 0 1 385.265 3.336 20 0 GGADMN OCC1([C@@H](NCc2nc3cc(Br)ccc3o2)[C@H]2CCCO2)CCC1 ZINC000639193423 567294275 /nfs/dbraw/zinc/29/42/75/567294275.db2.gz MNWLKKQUYDHSGT-WBVHZDCISA-N 0 1 395.297 3.390 20 0 GGADMN OCC1([C@H](NCc2nc3cc(Br)ccc3o2)[C@H]2CCCO2)CCC1 ZINC000639193420 567294642 /nfs/dbraw/zinc/29/46/42/567294642.db2.gz MNWLKKQUYDHSGT-NVXWUHKLSA-N 0 1 395.297 3.390 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N3C[C@@H](C)S[C@H](C)C3)c12 ZINC000567980659 567295031 /nfs/dbraw/zinc/29/50/31/567295031.db2.gz IQOVPCSYNMJCQI-NXEZZACHSA-N 0 1 380.539 3.090 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N3C[C@H](C)S[C@@H](C)C3)c12 ZINC000567980660 567295115 /nfs/dbraw/zinc/29/51/15/567295115.db2.gz IQOVPCSYNMJCQI-UWVGGRQHSA-N 0 1 380.539 3.090 20 0 GGADMN C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639184828 567295521 /nfs/dbraw/zinc/29/55/21/567295521.db2.gz GAZRZHBSPBJEET-LLVKDONJSA-N 0 1 376.400 3.009 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCOc3c(Br)cccc3C2)nc1C ZINC000660446100 567295742 /nfs/dbraw/zinc/29/57/42/567295742.db2.gz OQVDIDQESCJINO-UHFFFAOYSA-N 0 1 378.270 3.120 20 0 GGADMN COC(=O)c1nsc(NC(=O)c2c(F)ccc(SCC3CC3)c2F)n1 ZINC000567992164 567295871 /nfs/dbraw/zinc/29/58/71/567295871.db2.gz JZGLHGWUOSQNOT-UHFFFAOYSA-N 0 1 385.417 3.357 20 0 GGADMN CCC[C@H](C)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000500069986 567296332 /nfs/dbraw/zinc/29/63/32/567296332.db2.gz MFLOIOLLZNLNOF-LBPRGKRZSA-N 0 1 395.388 3.396 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)c1c[nH]c2ncc(Br)cc12 ZINC000526901524 567296789 /nfs/dbraw/zinc/29/67/89/567296789.db2.gz CIUMFRPUERILOS-UHFFFAOYSA-N 0 1 399.292 3.114 20 0 GGADMN CN(Cc1ccccc1)C[C@H](O)CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000591776210 567296921 /nfs/dbraw/zinc/29/69/21/567296921.db2.gz ADQQTAQXVDWANN-IQGLISFBSA-N 0 1 380.941 3.123 20 0 GGADMN C[C@]1(C(N)=O)CCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000660460490 567297651 /nfs/dbraw/zinc/29/76/51/567297651.db2.gz GEJBDHMNZURKIH-AWEZNQCLSA-N 0 1 395.219 3.088 20 0 GGADMN CC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2C)c1O ZINC000568012624 567297636 /nfs/dbraw/zinc/29/76/36/567297636.db2.gz NDQQKEQUELVWEF-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C)cc1Br ZINC000500102461 567298489 /nfs/dbraw/zinc/29/84/89/567298489.db2.gz MTADXBNSISQTKU-AWEZNQCLSA-N 0 1 389.359 3.300 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000568029524 567299386 /nfs/dbraw/zinc/29/93/86/567299386.db2.gz LKLYWVBUAXBMEW-SDBXPKJASA-N 0 1 390.698 3.184 20 0 GGADMN Cc1cc(CCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1Br ZINC000434220824 567299916 /nfs/dbraw/zinc/29/99/16/567299916.db2.gz PWYCRDURRQKDOI-QGZVFWFLSA-N 0 1 397.357 3.163 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(Br)ccc1Br ZINC000476133616 567300104 /nfs/dbraw/zinc/30/01/04/567300104.db2.gz DVJKJMVEBOCGMX-JTQLQIEISA-N 0 1 390.119 3.378 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000500109454 567300626 /nfs/dbraw/zinc/30/06/26/567300626.db2.gz MRBGPBXAUHVSBH-ZDUSSCGKSA-N 0 1 393.322 3.131 20 0 GGADMN OCCN(Cc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000685833007 567300836 /nfs/dbraw/zinc/30/08/36/567300836.db2.gz ZYPYECSJIFGQHQ-UHFFFAOYSA-N 0 1 379.302 3.157 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1Cl ZINC000591817730 567300857 /nfs/dbraw/zinc/30/08/57/567300857.db2.gz ZIFXRUXALHPUKI-LBPRGKRZSA-N 0 1 395.352 3.401 20 0 GGADMN O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000660497223 567300969 /nfs/dbraw/zinc/30/09/69/567300969.db2.gz UQEYAQCCNXMFBG-BASLNEPJSA-N 0 1 378.314 3.332 20 0 GGADMN O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000660497224 567301528 /nfs/dbraw/zinc/30/15/28/567301528.db2.gz UQEYAQCCNXMFBG-VDNDLQMASA-N 0 1 378.314 3.332 20 0 GGADMN O=C(CN1CC[C@]2(C1)CCCOC2)c1c[nH]c2ncc(Br)cc12 ZINC000660497382 567301609 /nfs/dbraw/zinc/30/16/09/567301609.db2.gz XCIAXNPNJXESTN-KRWDZBQOSA-N 0 1 378.270 3.011 20 0 GGADMN O=C(NCCNc1cccc(Br)c1)c1[nH]nc2c1CCCCC2 ZINC000476165415 567301667 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CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000568073917 567303180 /nfs/dbraw/zinc/30/31/80/567303180.db2.gz QNIMNRWQGHRONE-MRXNPFEDSA-N 0 1 394.320 3.200 20 0 GGADMN O=C(NCCOCC(F)(F)C(F)F)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000434326969 567303403 /nfs/dbraw/zinc/30/34/03/567303403.db2.gz UWAWGFTXWKVZFK-UHFFFAOYSA-N 0 1 385.770 3.438 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000568098669 567304540 /nfs/dbraw/zinc/30/45/40/567304540.db2.gz NMYDAIBGYSHBID-ZBFHGGJFSA-N 0 1 381.519 3.387 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[NH+](Cc2cccs2)Cc2cccs2)CC1 ZINC000568098890 567304556 /nfs/dbraw/zinc/30/45/56/567304556.db2.gz YDOSQFDARPJERE-UHFFFAOYSA-N 0 1 378.519 3.135 20 0 GGADMN COc1ccc(Br)c(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000685851740 567304635 /nfs/dbraw/zinc/30/46/35/567304635.db2.gz QXPMAMYGUZVQHC-IAGOWNOFSA-N 0 1 384.314 3.258 20 0 GGADMN Cc1nn(C)c(CN2CCCN3c4ccccc4C[C@@H]3C2)c1Br ZINC000685849716 567304902 /nfs/dbraw/zinc/30/49/02/567304902.db2.gz QDPDBZQDWRATPV-OAHLLOKOSA-N 0 1 375.314 3.128 20 0 GGADMN C[C@@H](CO)N(Cc1cn(-c2ccccc2Br)nn1)CC1CCC1 ZINC000685846739 567305108 /nfs/dbraw/zinc/30/51/08/567305108.db2.gz BHEIKKKTVBRDDC-ZDUSSCGKSA-N 0 1 379.302 3.013 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000660525848 567306047 /nfs/dbraw/zinc/30/60/47/567306047.db2.gz QCSSJCLZUMHIRA-JURCDPSOSA-N 0 1 378.460 3.338 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cc(Br)cnc2C)CCN1CCOC ZINC000455797326 567306134 /nfs/dbraw/zinc/30/61/34/567306134.db2.gz IJJFCLFTNFIMOF-OAHLLOKOSA-N 0 1 399.333 3.117 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)N(C)Cc2cc(Br)cs2)cn1 ZINC000548299403 567306256 /nfs/dbraw/zinc/30/62/56/567306256.db2.gz UTJMYKJXDXDFDF-UHFFFAOYSA-N 0 1 394.298 3.389 20 0 GGADMN CN(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Br)c2O)cc1 ZINC000527029053 567306276 /nfs/dbraw/zinc/30/62/76/567306276.db2.gz CHMYPEYWRPXVKP-UHFFFAOYSA-N 0 1 392.253 3.178 20 0 GGADMN CN(CCN(C)S(=O)(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000476219792 567306417 /nfs/dbraw/zinc/30/64/17/567306417.db2.gz MSVUVZKTGZLJAR-UHFFFAOYSA-N 0 1 397.338 3.317 20 0 GGADMN CC(C)[C@H](N[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000660525852 567306758 /nfs/dbraw/zinc/30/67/58/567306758.db2.gz QCSSJCLZUMHIRA-UXOAXIEHSA-N 0 1 378.460 3.338 20 0 GGADMN O=S(=O)(NC[C@H]1CCC[N@H+](CCSc2cccc(Cl)c2)C1)C1CC1 ZINC000660557368 567307721 /nfs/dbraw/zinc/30/77/21/567307721.db2.gz LPVLGPPIKMZWPC-CQSZACIVSA-N 0 1 388.986 3.226 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc(OC)c2Cl)CC1 ZINC000660558073 567307772 /nfs/dbraw/zinc/30/77/72/567307772.db2.gz QYOOXFAXJLLSLT-AWEZNQCLSA-N 0 1 388.961 3.231 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000500212270 567307971 /nfs/dbraw/zinc/30/79/71/567307971.db2.gz SBVOXTWIALKPTP-UHFFFAOYSA-N 0 1 377.754 3.154 20 0 GGADMN CCSc1cccc(Br)c1NS(=O)(=O)c1cn(C)c(C)n1 ZINC000685903098 567308888 /nfs/dbraw/zinc/30/88/88/567308888.db2.gz KNCIFRCMLKPZEZ-UHFFFAOYSA-N 0 1 390.328 3.404 20 0 GGADMN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cccc(Br)c1O ZINC000548343918 567309020 /nfs/dbraw/zinc/30/90/20/567309020.db2.gz WIUIGCAZFOITIE-ZFWWWQNUSA-N 0 1 394.269 3.021 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)C2)n1 ZINC000639459038 567308998 /nfs/dbraw/zinc/30/89/98/567308998.db2.gz DBQOLNBJEHIWBM-DOMZBBRYSA-N 0 1 386.279 3.304 20 0 GGADMN Cc1noc(C2CCN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000639459749 567309264 /nfs/dbraw/zinc/30/92/64/567309264.db2.gz OKQAAUJGMDQJEP-OAHLLOKOSA-N 0 1 386.279 3.304 20 0 GGADMN Brc1ccc2onc(N3CCC(CN4CCOCC4)CC3)c2c1 ZINC000685904443 567309378 /nfs/dbraw/zinc/30/93/78/567309378.db2.gz SJQSZXZGLFIAQF-UHFFFAOYSA-N 0 1 380.286 3.139 20 0 GGADMN Cc1nccc(NCc2cn(-c3ccccc3Br)nn2)c1Cl ZINC000685915812 567310160 /nfs/dbraw/zinc/31/01/60/567310160.db2.gz DBABBMPUGUXNMA-UHFFFAOYSA-N 0 1 378.661 3.421 20 0 GGADMN COC(=O)c1cn(C2CCN(CCc3cccc(Cl)c3Cl)CC2)nn1 ZINC000434479194 567310269 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C[C@H]1C[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)CN1C1CC1 ZINC000476299440 567312023 /nfs/dbraw/zinc/31/20/23/567312023.db2.gz KPKVCDHIDSIMNW-RYUDHWBXSA-N 0 1 376.551 3.313 20 0 GGADMN Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000434554853 567312600 /nfs/dbraw/zinc/31/26/00/567312600.db2.gz FROUXSFBAASXHT-AWEZNQCLSA-N 0 1 384.307 3.373 20 0 GGADMN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1conc1C(C)(C)N ZINC000568235544 567313509 /nfs/dbraw/zinc/31/35/09/567313509.db2.gz RXPNXKPPVARBOM-LLVKDONJSA-N 0 1 380.286 3.382 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000568236657 567313674 /nfs/dbraw/zinc/31/36/74/567313674.db2.gz RFXQYUXWIOWKRR-OAHLLOKOSA-N 0 1 380.853 3.429 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000476312174 567313830 /nfs/dbraw/zinc/31/38/30/567313830.db2.gz YIZYJKBLKAWVGG-WCQYABFASA-N 0 1 376.551 3.171 20 0 GGADMN CCCn1nccc1NC(=O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000639642868 567314549 /nfs/dbraw/zinc/31/45/49/567314549.db2.gz 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567317022 /nfs/dbraw/zinc/31/70/22/567317022.db2.gz KUBLMJMAKMDQBW-UHFFFAOYSA-N 0 1 378.475 3.157 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000434627697 567317691 /nfs/dbraw/zinc/31/76/91/567317691.db2.gz BITDMBPZBLVAPZ-XMMPIXPASA-N 0 1 381.519 3.300 20 0 GGADMN C[C@H](CNC(=O)c1n[nH]c2ccc(I)cc21)C(F)(F)F ZINC000476340702 567317730 /nfs/dbraw/zinc/31/77/30/567317730.db2.gz JWLKEWPZWHJSIE-ZCFIWIBFSA-N 0 1 397.138 3.096 20 0 GGADMN C[C@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC[C@@H](C)C1 ZINC000500418317 567318530 /nfs/dbraw/zinc/31/85/30/567318530.db2.gz ZDIJMPFGOHBUNB-HUUCEWRRSA-N 0 1 379.551 3.209 20 0 GGADMN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc(Br)c1O ZINC000527195222 567318527 /nfs/dbraw/zinc/31/85/27/567318527.db2.gz GOZCYVZWDSZZQT-OAHLLOKOSA-N 0 1 395.297 3.208 20 0 GGADMN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccc2cncn2c1 ZINC000568301636 567318696 /nfs/dbraw/zinc/31/86/96/567318696.db2.gz PPTFLOUUDNDIHG-AWEZNQCLSA-N 0 1 399.292 3.353 20 0 GGADMN O=C(CN[C@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccc(Cl)cc1Cl ZINC000639768352 567319637 /nfs/dbraw/zinc/31/96/37/567319637.db2.gz RGMDXUFGKDVJQB-NVXWUHKLSA-N 0 1 387.307 3.232 20 0 GGADMN Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639771173 567319655 /nfs/dbraw/zinc/31/96/55/567319655.db2.gz BJCOCUDBRLYYCU-INIZCTEOSA-N 0 1 379.302 3.283 20 0 GGADMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000500431501 567320968 /nfs/dbraw/zinc/32/09/68/567320968.db2.gz XYJJVJCYRXASRN-UHFFFAOYSA-N 0 1 388.320 3.141 20 0 GGADMN C[C@@H](CN1CCOCC1)N(C)Cc1cccc(Br)c1OC(F)F ZINC000434697840 567321108 /nfs/dbraw/zinc/32/11/08/567321108.db2.gz BCJLVCQTHSQANT-LBPRGKRZSA-N 0 1 393.272 3.203 20 0 GGADMN CCn1cc(CNCc2ccc(I)c(Cl)c2)cn1 ZINC000500439557 567322468 /nfs/dbraw/zinc/32/24/68/567322468.db2.gz JTAGKRCUXLFZME-UHFFFAOYSA-N 0 1 375.641 3.451 20 0 GGADMN COc1cc(S(=O)(=O)Nc2cnc3onc(C)c3c2)ccc1Br ZINC000476422137 567323001 /nfs/dbraw/zinc/32/30/01/567323001.db2.gz FRHYIEWMQBLHJS-UHFFFAOYSA-N 0 1 398.238 3.103 20 0 GGADMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CSC)cc2)c1 ZINC000476426545 567323285 /nfs/dbraw/zinc/32/32/85/567323285.db2.gz AUUJMTZIUGOTPV-UHFFFAOYSA-N 0 1 381.475 3.146 20 0 GGADMN O=S1(=O)CCCN1[C@H]1CCCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC000434737794 567323575 /nfs/dbraw/zinc/32/35/75/567323575.db2.gz QLFZCZANGVDCCK-SFHVURJKSA-N 0 1 376.547 3.415 20 0 GGADMN Cc1cc(=O)[nH]c(C(C)(C)NCCC(=O)Nc2ccccc2Br)n1 ZINC000660751961 567323737 /nfs/dbraw/zinc/32/37/37/567323737.db2.gz PYGVUAHMBFHZIS-UHFFFAOYSA-N 0 1 393.285 3.107 20 0 GGADMN Brc1ccc2oc(CN3CCC[C@H](n4ccnn4)CC3)nc2c1 ZINC000639818104 567323855 /nfs/dbraw/zinc/32/38/55/567323855.db2.gz KQPVITTWHCGSAA-ZDUSSCGKSA-N 0 1 376.258 3.409 20 0 GGADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434740842 567324191 /nfs/dbraw/zinc/32/41/91/567324191.db2.gz YVMGKKYIDBWLGB-XJKSGUPXSA-N 0 1 376.444 3.266 20 0 GGADMN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000568390928 567324761 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CCOc1c(Br)cc(C(=O)N2CCN(C)CC2(C)C)cc1OC ZINC000500508389 567327154 /nfs/dbraw/zinc/32/71/54/567327154.db2.gz PDQKGSIOKRUKOF-UHFFFAOYSA-N 0 1 385.302 3.023 20 0 GGADMN Cc1ncc(CNC(=O)CCN[C@H](CO)c2cccc(Cl)c2Cl)s1 ZINC000639862760 567328104 /nfs/dbraw/zinc/32/81/04/567328104.db2.gz NNJDYCOGPBVONR-CQSZACIVSA-N 0 1 388.320 3.088 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000434768483 567327947 /nfs/dbraw/zinc/32/79/47/567327947.db2.gz YXJLAXOQYHAQIS-INIZCTEOSA-N 0 1 376.444 3.142 20 0 GGADMN C[C@]1(CO)C[C@@H](O)CN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000639853157 567328234 /nfs/dbraw/zinc/32/82/34/567328234.db2.gz DTPLUUXYTALUMP-RDTXWAMCSA-N 0 1 377.897 3.034 20 0 GGADMN C[C@]1(CO)C[C@H](O)CN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000639853145 567328718 /nfs/dbraw/zinc/32/87/18/567328718.db2.gz DTPLUUXYTALUMP-KBXCAEBGSA-N 0 1 377.897 3.034 20 0 GGADMN COC[C@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000434787495 567328925 /nfs/dbraw/zinc/32/89/25/567328925.db2.gz 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ZINC000434788480 567329293 /nfs/dbraw/zinc/32/92/93/567329293.db2.gz WSSKIFZANSYGNI-UONOGXRCSA-N 0 1 380.794 3.081 20 0 GGADMN COC[C@@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000434788479 567329307 /nfs/dbraw/zinc/32/93/07/567329307.db2.gz WSSKIFZANSYGNI-KGLIPLIRSA-N 0 1 380.794 3.081 20 0 GGADMN COC[C@H](NCc1cc(Br)ccc1OC(F)F)[C@H]1CCCO1 ZINC000434789566 567329320 /nfs/dbraw/zinc/32/93/20/567329320.db2.gz NBMVNSKOYWQEOO-GXTWGEPZSA-N 0 1 380.229 3.334 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H]1CCCCN1C1CC1 ZINC000434778909 567329690 /nfs/dbraw/zinc/32/96/90/567329690.db2.gz VVNWUPGKJCXUAL-HNNXBMFYSA-N 0 1 376.444 3.142 20 0 GGADMN O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CCCCN1C1CC1 ZINC000434779656 567329711 /nfs/dbraw/zinc/32/97/11/567329711.db2.gz XQPDJZRGJAXOIA-ZDUSSCGKSA-N 0 1 377.337 3.430 20 0 GGADMN Nc1cc(N)nc(SCc2ccc(I)c(Cl)c2)n1 ZINC000435503494 567374554 /nfs/dbraw/zinc/37/45/54/567374554.db2.gz WDDIXKSMNAQQRJ-UHFFFAOYSA-N 0 1 392.653 3.022 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476506012 567329872 /nfs/dbraw/zinc/32/98/72/567329872.db2.gz GHPDCWRGCWEZDB-ZBFHGGJFSA-N 0 1 384.307 3.089 20 0 GGADMN COc1cc(NC(=O)N2CCN(C)C(C)(C)C2)cc(OC)c1Br ZINC000639913264 567330257 /nfs/dbraw/zinc/33/02/57/567330257.db2.gz ARANOJMZDWEIHP-UHFFFAOYSA-N 0 1 386.290 3.024 20 0 GGADMN CC[C@H](C)N(CC(=O)OC)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000456016211 567330676 /nfs/dbraw/zinc/33/06/76/567330676.db2.gz ASQLVIKBIDXOBR-NSHDSACASA-N 0 1 394.269 3.253 20 0 GGADMN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cncc(F)c3)ccc2s1 ZINC000500568915 567330695 /nfs/dbraw/zinc/33/06/95/567330695.db2.gz PUCURTONNSCZBV-UHFFFAOYSA-N 0 1 380.422 3.413 20 0 GGADMN O=C(NCCOCC(F)F)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000527315239 567331116 /nfs/dbraw/zinc/33/11/16/567331116.db2.gz ZORQIINNQRXRME-HNNXBMFYSA-N 0 1 375.847 3.058 20 0 GGADMN CCc1nc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)n[nH]1 ZINC000568481921 567331769 /nfs/dbraw/zinc/33/17/69/567331769.db2.gz PIEDGSOVCLFVGU-UHFFFAOYSA-N 0 1 378.274 3.008 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1c(C)cccc1F)c1ccc(Cl)c(F)c1 ZINC000476527384 567332286 /nfs/dbraw/zinc/33/22/86/567332286.db2.gz YSBAEHIMVLOZDU-CQSZACIVSA-N 0 1 389.807 3.119 20 0 GGADMN Clc1cc(I)ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000592356964 567332288 /nfs/dbraw/zinc/33/22/88/567332288.db2.gz NNYSEYCFJWQBPH-JTQLQIEISA-N 0 1 375.597 3.419 20 0 GGADMN Fc1cc(F)c(-c2nc([C@H]3CCCN3)no2)cc1I ZINC000592357047 567332725 /nfs/dbraw/zinc/33/27/25/567332725.db2.gz QFUYVLKLULLNBI-SNVBAGLBSA-N 0 1 377.132 3.044 20 0 GGADMN CC(C)SCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000568495196 567333380 /nfs/dbraw/zinc/33/33/80/567333380.db2.gz ZCANQNONDRAAIM-CYBMUJFWSA-N 0 1 378.357 3.399 20 0 GGADMN Cc1cccc2nc(CCNCc3ncc(I)s3)cn21 ZINC000592379060 567334155 /nfs/dbraw/zinc/33/41/55/567334155.db2.gz KRQYVJSDQLFOTH-UHFFFAOYSA-N 0 1 398.273 3.036 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776191 567334523 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C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000617851668 567340768 /nfs/dbraw/zinc/34/07/68/567340768.db2.gz UYAMHVJOPQRWKV-SJCJKPOMSA-N 0 1 392.297 3.462 20 0 GGADMN COC(=O)C(C)(C)CCN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000527520688 567341082 /nfs/dbraw/zinc/34/10/82/567341082.db2.gz IKHBLKBTKFIVLS-LLVKDONJSA-N 0 1 386.286 3.460 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc(Br)c(F)cc1F)C(F)(F)F ZINC000476636293 567341503 /nfs/dbraw/zinc/34/15/03/567341503.db2.gz PJROLGCXQIQUQU-RXMQYKEDSA-N 0 1 382.148 3.204 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000548679579 567341592 /nfs/dbraw/zinc/34/15/92/567341592.db2.gz VFZKRJCYKGSPAT-MSOLQXFVSA-N 0 1 395.341 3.252 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000548679581 567341833 /nfs/dbraw/zinc/34/18/33/567341833.db2.gz VFZKRJCYKGSPAT-ROUUACIJSA-N 0 1 395.341 3.252 20 0 GGADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)Nc1cc(Cl)c(Cl)cc1F ZINC000640115065 567341917 /nfs/dbraw/zinc/34/19/17/567341917.db2.gz 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/nfs/dbraw/zinc/34/32/52/567343252.db2.gz WBQJMZBUOZNRPI-UHFFFAOYSA-N 0 1 375.219 3.183 20 0 GGADMN O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000568621995 567343428 /nfs/dbraw/zinc/34/34/28/567343428.db2.gz QRDWBUCRZJXAMN-SECBINFHSA-N 0 1 389.175 3.216 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(O)cc2Br)[C@H]1SC ZINC000592530315 567343456 /nfs/dbraw/zinc/34/34/56/567343456.db2.gz PKPBIUHDCNUEDP-NILFDRSVSA-N 0 1 376.316 3.162 20 0 GGADMN CCc1ncc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000548695169 567344135 /nfs/dbraw/zinc/34/41/35/567344135.db2.gz PRXBDWIBIPCTGV-UHFFFAOYSA-N 0 1 383.564 3.055 20 0 GGADMN CC(=O)NCc1ccc(NS(=O)(=O)c2cccc(C)c2Br)cc1 ZINC000435137001 567344091 /nfs/dbraw/zinc/34/40/91/567344091.db2.gz APLUUDQXKLCIPH-UHFFFAOYSA-N 0 1 397.294 3.194 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1Br ZINC000435130100 567344274 /nfs/dbraw/zinc/34/42/74/567344274.db2.gz NYTCLWKSCXPUHV-UHFFFAOYSA-N 0 1 397.294 3.260 20 0 GGADMN O=C1[C@H](N[C@H](c2cncc(Br)c2)C2CC2)CCN1CC(F)(F)F ZINC000568641928 567344539 /nfs/dbraw/zinc/34/45/39/567344539.db2.gz SLLTVXDOOTWIJC-OLZOCXBDSA-N 0 1 392.219 3.048 20 0 GGADMN CC(=O)[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)C1(C)C ZINC000548722010 567344653 /nfs/dbraw/zinc/34/46/53/567344653.db2.gz HVYJEFIKBUQNRP-NWDGAFQWSA-N 0 1 391.269 3.424 20 0 GGADMN COC(=O)[C@H]1CNCCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000592552601 567344906 /nfs/dbraw/zinc/34/49/06/567344906.db2.gz ZVFOQDCHNZWQKI-CQSZACIVSA-N 0 1 378.881 3.046 20 0 GGADMN Cc1nn(C)c(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1Br ZINC000640162236 567344961 /nfs/dbraw/zinc/34/49/61/567344961.db2.gz MKLHYAXVLBFCRG-ZDUSSCGKSA-N 0 1 398.280 3.055 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)s1 ZINC000500799225 567345354 /nfs/dbraw/zinc/34/53/54/567345354.db2.gz ZRLSVOPFRWOKNO-UHFFFAOYSA-N 0 1 388.898 3.051 20 0 GGADMN Cc1cccc(I)c1C(=O)N1CCN(CC(C)C)CC1 ZINC000476717035 567345520 /nfs/dbraw/zinc/34/55/20/567345520.db2.gz 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CCOC(=O)[C@@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000435246435 567352696 /nfs/dbraw/zinc/35/26/96/567352696.db2.gz QTEWIMUFYPUGPW-OAHLLOKOSA-N 0 1 392.297 3.410 20 0 GGADMN COc1ccccc1[C@@H](CNCc1ncc(Br)cc1F)N(C)C ZINC000527632603 567353308 /nfs/dbraw/zinc/35/33/08/567353308.db2.gz QPNDPAUIQQGLSW-MRXNPFEDSA-N 0 1 382.277 3.384 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2ccsc2C(F)(F)F)cc1 ZINC000527638020 567354559 /nfs/dbraw/zinc/35/45/59/567354559.db2.gz DQOBQEGMCZDJPN-UHFFFAOYSA-N 0 1 378.441 3.307 20 0 GGADMN CN(C)C(=O)c1cccc(CCNc2noc3ccc(Br)cc32)c1 ZINC000568773507 567355027 /nfs/dbraw/zinc/35/50/27/567355027.db2.gz ZPQMTCFJDMSBMC-UHFFFAOYSA-N 0 1 388.265 3.369 20 0 GGADMN CC[C@H](CSC)N(C)c1nc(C[NH+](C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000568767315 567355199 /nfs/dbraw/zinc/35/51/99/567355199.db2.gz OSAWVXHFEHWZRW-LLVKDONJSA-N 0 1 382.555 3.337 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc2[nH]nnc2c1 ZINC000476874146 567355376 /nfs/dbraw/zinc/35/53/76/567355376.db2.gz YCZNQQYXTZJAQK-LBPRGKRZSA-N 0 1 376.247 3.273 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1ccc2[nH]nnc2c1 ZINC000476874144 567355424 /nfs/dbraw/zinc/35/54/24/567355424.db2.gz YCZNQQYXTZJAQK-GFCCVEGCSA-N 0 1 376.247 3.273 20 0 GGADMN COc1cccc(N2CC[C@@H](NCc3ncc(Br)cc3F)C2)c1 ZINC000527654584 567356892 /nfs/dbraw/zinc/35/68/92/567356892.db2.gz TYBFNUSJRUGSQT-CYBMUJFWSA-N 0 1 380.261 3.360 20 0 GGADMN COc1cc(OC)c(CCNCc2ncc(Br)cc2F)c(OC)c1 ZINC000527656073 567356930 /nfs/dbraw/zinc/35/69/30/567356930.db2.gz AXLFEGKZOIAIBP-UHFFFAOYSA-N 0 1 399.260 3.341 20 0 GGADMN Cc1cc(Br)cn2cc(CN[C@H](c3nnc[nH]3)c3ccccc3)nc12 ZINC000568808129 567357677 /nfs/dbraw/zinc/35/76/77/567357677.db2.gz DFDRVLQVLWGBRM-INIZCTEOSA-N 0 1 397.280 3.403 20 0 GGADMN Cc1cc(Br)cn2cc(CN[C@@H](c3nnc[nH]3)c3ccccc3)nc12 ZINC000568808133 567357752 /nfs/dbraw/zinc/35/77/52/567357752.db2.gz DFDRVLQVLWGBRM-MRXNPFEDSA-N 0 1 397.280 3.403 20 0 GGADMN CN(CC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCSC1 ZINC000456278312 567358327 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OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(Br)c(F)c1F ZINC000527688244 567361520 /nfs/dbraw/zinc/36/15/20/567361520.db2.gz UGOZPWKBTCPXQE-HIFRSBDPSA-N 0 1 386.236 3.302 20 0 GGADMN Cn1cncc1[C@H]1C[C@@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527693431 567363653 /nfs/dbraw/zinc/36/36/53/567363653.db2.gz DPIAYJJOKDLSOU-XHDPSFHLSA-N 0 1 385.693 3.241 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000456342746 567363658 /nfs/dbraw/zinc/36/36/58/567363658.db2.gz CEIYHESBWVAXGG-CYBMUJFWSA-N 0 1 385.302 3.023 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000456342747 567363676 /nfs/dbraw/zinc/36/36/76/567363676.db2.gz CEIYHESBWVAXGG-ZDUSSCGKSA-N 0 1 385.302 3.023 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CSCc2cscn2)C1 ZINC000456341198 567363851 /nfs/dbraw/zinc/36/38/51/567363851.db2.gz PRBQFYYVDQBPAF-INIZCTEOSA-N 0 1 375.563 3.357 20 0 GGADMN C[C@H]1N(C[C@@H](O)COc2ccc(Cl)cc2Br)CCOC1(C)C ZINC000476997507 567364008 /nfs/dbraw/zinc/36/40/08/567364008.db2.gz RAWCTYQPLXUDMB-DGCLKSJQSA-N 0 1 392.721 3.342 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435433768 567364190 /nfs/dbraw/zinc/36/41/90/567364190.db2.gz UIVVQUWDGHKBTP-ZDUSSCGKSA-N 0 1 392.235 3.325 20 0 GGADMN Cc1cc(N2CCC[C@H](NCc3ncc(Cl)cc3Br)C2)n(C)n1 ZINC000527700413 567364532 /nfs/dbraw/zinc/36/45/32/567364532.db2.gz NJCZRJFRXMOUSQ-ZDUSSCGKSA-N 0 1 398.736 3.298 20 0 GGADMN C[N@@H+](CCCSc1ccccc1Cl)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000568890585 567364806 /nfs/dbraw/zinc/36/48/06/567364806.db2.gz MJYTVJDBOMNXAX-UHFFFAOYSA-N 0 1 384.929 3.077 20 0 GGADMN OC[C@@]1(CNCc2ncc(Br)cc2F)C[C@H]1c1ccc(F)cc1 ZINC000527699128 567365165 /nfs/dbraw/zinc/36/51/65/567365165.db2.gz GTYRDOSRBYQLSV-YOEHRIQHSA-N 0 1 383.236 3.378 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccsn1 ZINC000456365406 567365276 /nfs/dbraw/zinc/36/52/76/567365276.db2.gz HXWPVIYAEPWJJJ-NSHDSACASA-N 0 1 395.326 3.298 20 0 GGADMN Cc1cc[nH]c1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456354224 567365287 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ZINC000456367918 567367089 /nfs/dbraw/zinc/36/70/89/567367089.db2.gz KJLVRBLLTLOINK-AWEZNQCLSA-N 0 1 398.345 3.345 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000456370345 567367230 /nfs/dbraw/zinc/36/72/30/567367230.db2.gz GKQXIWQECINLQM-OAHLLOKOSA-N 0 1 391.313 3.191 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)no1 ZINC000456370621 567367437 /nfs/dbraw/zinc/36/74/37/567367437.db2.gz MIWPCILIEGCBLF-LLVKDONJSA-N 0 1 393.285 3.138 20 0 GGADMN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000549011477 567368128 /nfs/dbraw/zinc/36/81/28/567368128.db2.gz WVVWVPUPJQBJMH-MRXNPFEDSA-N 0 1 375.270 3.240 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(OC)c(OC)cc1Br ZINC000456376863 567368758 /nfs/dbraw/zinc/36/87/58/567368758.db2.gz LASTVVKWIKVPOE-LBPRGKRZSA-N 0 1 385.302 3.023 20 0 GGADMN NC(=O)c1ccc(CN(C(=O)c2cccc(Br)c2O)C2CC2)cc1 ZINC000592831882 567368834 /nfs/dbraw/zinc/36/88/34/567368834.db2.gz ZXQPRSJKLQOKHX-UHFFFAOYSA-N 0 1 389.249 3.058 20 0 GGADMN Cc1ncc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)s1 ZINC000549035362 567369430 /nfs/dbraw/zinc/36/94/30/567369430.db2.gz NVBSTPXGUVEMFT-MRXNPFEDSA-N 0 1 379.551 3.031 20 0 GGADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(Br)c(C)c2)C1 ZINC000501144393 567369483 /nfs/dbraw/zinc/36/94/83/567369483.db2.gz VTJIJNSJWDPAGY-HOCLYGCPSA-N 0 1 383.330 3.121 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cccnc1 ZINC000456379561 567369679 /nfs/dbraw/zinc/36/96/79/567369679.db2.gz VOBRAOWAGCCWPI-ZDUSSCGKSA-N 0 1 389.297 3.237 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000592850106 567370239 /nfs/dbraw/zinc/37/02/39/567370239.db2.gz AQSGFUFVULHMER-UHFFFAOYSA-N 0 1 397.313 3.265 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCCC1 ZINC000477122184 567372037 /nfs/dbraw/zinc/37/20/37/567372037.db2.gz SZBCIJBHQJPLCN-CABCVRRESA-N 0 1 395.377 3.194 20 0 GGADMN COc1cccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000568992455 567372096 /nfs/dbraw/zinc/37/20/96/567372096.db2.gz 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CN1CCN(c2ccc(Br)cc2NC(=O)C[C@H]2CCCCO2)CC1 ZINC000501226013 567373444 /nfs/dbraw/zinc/37/34/44/567373444.db2.gz IARXXYQOEGUKTO-OAHLLOKOSA-N 0 1 396.329 3.099 20 0 GGADMN COc1cc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc(Br)c1OC ZINC000501240845 567373574 /nfs/dbraw/zinc/37/35/74/567373574.db2.gz WDHIRWBOVRTBPB-UHFFFAOYSA-N 0 1 394.147 3.461 20 0 GGADMN CC[C@](C)(OC)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000435525441 567373868 /nfs/dbraw/zinc/37/38/68/567373868.db2.gz JSNAQURDLLMNNJ-INIZCTEOSA-N 0 1 386.470 3.442 20 0 GGADMN Cc1ncc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)s1 ZINC000501240316 567374035 /nfs/dbraw/zinc/37/40/35/567374035.db2.gz NGLCOELJZSTLNV-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN Cc1ccccc1-c1nc(CNS(=O)(=O)c2cc(F)ccc2Cl)no1 ZINC000477137824 567374376 /nfs/dbraw/zinc/37/43/76/567374376.db2.gz LZKFAYCVGMFJEB-UHFFFAOYSA-N 0 1 381.816 3.316 20 0 GGADMN C[C@@H](CO)[C@@H]1CCCCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000661437032 567374598 /nfs/dbraw/zinc/37/45/98/567374598.db2.gz 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O=C1CC[C@H]2CN(CCOc3ccc(Cl)cc3Br)CC[C@H]2N1 ZINC000661605113 567382897 /nfs/dbraw/zinc/38/28/97/567382897.db2.gz QQVGJCZGRXQLQK-SMDDNHRTSA-N 0 1 387.705 3.082 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc3sc(N(CC)CC)nc3s2)n[nH]1 ZINC000477238236 567383324 /nfs/dbraw/zinc/38/33/24/567383324.db2.gz WRPOUJGWCLINPU-VIFPVBQESA-N 0 1 378.527 3.376 20 0 GGADMN CSCC[C@H](NCC1=Cc2cc(Br)ccc2OC1)C(=O)N(C)C ZINC000569166555 567383876 /nfs/dbraw/zinc/38/38/76/567383876.db2.gz MUZZQZWXTUVDSC-HNNXBMFYSA-N 0 1 399.354 3.024 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)[nH]n2)o1 ZINC000477261688 567384482 /nfs/dbraw/zinc/38/44/82/567384482.db2.gz UWPGBUOSFPWOAZ-UHFFFAOYSA-N 0 1 379.825 3.287 20 0 GGADMN Cc1nnc(SCCC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)[nH]1 ZINC000501366512 567384527 /nfs/dbraw/zinc/38/45/27/567384527.db2.gz RMZWNUXZPVXKKF-JTQLQIEISA-N 0 1 395.326 3.331 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n[nH]1 ZINC000477270908 567384580 /nfs/dbraw/zinc/38/45/80/567384580.db2.gz 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COC(=O)[C@@H]1CN(Cc2cc(OC)c(OC)cc2Br)C[C@H]1C1CC1 ZINC000593126837 567388640 /nfs/dbraw/zinc/38/86/40/567388640.db2.gz PEFQCLXSVHXWBQ-UONOGXRCSA-N 0 1 398.297 3.097 20 0 GGADMN O=C(NCCN1CCCCC1)c1scc(Br)c1Br ZINC000527970808 567388851 /nfs/dbraw/zinc/38/88/51/567388851.db2.gz HUBQBIHJQBJJGY-UHFFFAOYSA-N 0 1 396.148 3.489 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Br)c2)n[nH]1 ZINC000477326765 567388852 /nfs/dbraw/zinc/38/88/52/567388852.db2.gz WKFLQIHDCAZSIV-QWRGUYRKSA-N 0 1 381.274 3.335 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000477326250 567388927 /nfs/dbraw/zinc/38/89/27/567388927.db2.gz VYLYSGXFOQORMI-SECBINFHSA-N 0 1 379.251 3.351 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000477309561 567388992 /nfs/dbraw/zinc/38/89/92/567388992.db2.gz PXQZBDGKGAOANJ-NXEZZACHSA-N 0 1 383.265 3.325 20 0 GGADMN Cc1c(I)cccc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000477328561 567389009 /nfs/dbraw/zinc/38/90/09/567389009.db2.gz 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Cc1c([C@H](C)NC[C@@H](CO)C2CC2)nnn1-c1cccc(Br)c1 ZINC000569278235 567392479 /nfs/dbraw/zinc/39/24/79/567392479.db2.gz XCHVPWWPLYSKKY-FZMZJTMJSA-N 0 1 379.302 3.007 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(Cl)cc(Br)c1F ZINC000435872873 567392725 /nfs/dbraw/zinc/39/27/25/567392725.db2.gz SBNOLXBCLNZMPQ-UHFFFAOYSA-N 0 1 395.619 3.497 20 0 GGADMN O[C@H](COCc1ccco1)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618466373 567393107 /nfs/dbraw/zinc/39/31/07/567393107.db2.gz FBRPYROLWMKYGL-UTUOFQBUSA-N 0 1 375.309 3.220 20 0 GGADMN C[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CCN1CC(C)(C)O ZINC000435880429 567394345 /nfs/dbraw/zinc/39/43/45/567394345.db2.gz JAVGYMNATMWLMI-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN CS(=O)(=O)C1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CCCCC1 ZINC000618485640 567394558 /nfs/dbraw/zinc/39/45/58/567394558.db2.gz PNLHUOJPFCFRBV-UHFFFAOYSA-N 0 1 380.293 3.176 20 0 GGADMN CC(C)N1CCO[C@@H](C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000456587304 567394641 /nfs/dbraw/zinc/39/46/41/567394641.db2.gz 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ZINC000436023439 567402050 /nfs/dbraw/zinc/40/20/50/567402050.db2.gz BAQNGJFWYAPLQO-NEPJUHHUSA-N 0 1 387.307 3.444 20 0 GGADMN COC(=O)[C@@H](C)CN(CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000436023440 567402233 /nfs/dbraw/zinc/40/22/33/567402233.db2.gz BAQNGJFWYAPLQO-NWDGAFQWSA-N 0 1 387.307 3.444 20 0 GGADMN Brc1ccc2oc(CN(CCN3CCOCC3)CC3CC3)nc2c1 ZINC000661970397 567402601 /nfs/dbraw/zinc/40/26/01/567402601.db2.gz QXEZOZFNMKDUFV-UHFFFAOYSA-N 0 1 394.313 3.135 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1C(=O)[O-] ZINC000593288885 567403287 /nfs/dbraw/zinc/40/32/87/567403287.db2.gz QIFOQGZOSVRAPY-JOYOIKCWSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@H]1C(=O)[O-] ZINC000593288885 567403285 /nfs/dbraw/zinc/40/32/85/567403285.db2.gz QIFOQGZOSVRAPY-JOYOIKCWSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000640991702 567404257 /nfs/dbraw/zinc/40/42/57/567404257.db2.gz XEQKOCBTEHSKIF-LLVKDONJSA-N 0 1 383.279 3.491 20 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/nfs/dbraw/zinc/40/57/51/567405751.db2.gz XHLSKKTZVKVFCK-UHFFFAOYSA-N 0 1 376.463 3.288 20 0 GGADMN OC[C@@H](NC[C@@H](O)COCc1ccccc1F)c1cccc(Cl)c1Cl ZINC000662053803 567406035 /nfs/dbraw/zinc/40/60/35/567406035.db2.gz BGTVJPIJFYFMDO-CXAGYDPISA-N 0 1 388.266 3.333 20 0 GGADMN CNC(C)(C)c1cn(Cc2coc(-c3ccc(Br)cc3)n2)nn1 ZINC000640999019 567406627 /nfs/dbraw/zinc/40/66/27/567406627.db2.gz JEQRXNCXSSOTMZ-UHFFFAOYSA-N 0 1 376.258 3.198 20 0 GGADMN O=C(CCc1nc2cc(Br)ccc2s1)NCCN1CC=CCC1 ZINC000477625547 567406858 /nfs/dbraw/zinc/40/68/58/567406858.db2.gz KBIRMVKLPSGLSY-UHFFFAOYSA-N 0 1 394.338 3.370 20 0 GGADMN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCN1CC=CCC1 ZINC000477646458 567406937 /nfs/dbraw/zinc/40/69/37/567406937.db2.gz ZBZXUFWJRYCCNZ-UHFFFAOYSA-N 0 1 375.925 3.308 20 0 GGADMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(I)c(Cl)c1 ZINC000436098946 567407050 /nfs/dbraw/zinc/40/70/50/567407050.db2.gz KFQNSLNJNABILU-XLFHBGCDSA-N 0 1 385.698 3.143 20 0 GGADMN C[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCN1CC(C)(C)O ZINC000436130937 567408338 /nfs/dbraw/zinc/40/83/38/567408338.db2.gz RFEPDQLWKVZUIZ-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c(Br)c1 ZINC000436148809 567408989 /nfs/dbraw/zinc/40/89/89/567408989.db2.gz GZLSMUFNIUWCLN-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN N[C@H](c1cn(CC/C=C/c2ccc(Br)cc2)nn1)[C@H]1CCCO1 ZINC000641058764 567409186 /nfs/dbraw/zinc/40/91/86/567409186.db2.gz VIVDJYQKFOUQID-LOHMXVOOSA-N 0 1 377.286 3.323 20 0 GGADMN N[C@H](c1cn(CC/C=C\c2ccc(Br)cc2)nn1)[C@H]1CCCO1 ZINC000641058761 567409804 /nfs/dbraw/zinc/40/98/04/567409804.db2.gz VIVDJYQKFOUQID-KDWAXSDBSA-N 0 1 377.286 3.323 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC000569524558 567410302 /nfs/dbraw/zinc/41/03/02/567410302.db2.gz OCFRUALILKQXCX-UHFFFAOYSA-N 0 1 384.885 3.090 20 0 GGADMN CNC(C)(C)c1cn(Cc2ncc(-c3ccc(Br)cc3)o2)nn1 ZINC000641072104 567411206 /nfs/dbraw/zinc/41/12/06/567411206.db2.gz FOSOYXKYERVHIV-UHFFFAOYSA-N 0 1 376.258 3.198 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000501894964 567412115 /nfs/dbraw/zinc/41/21/15/567412115.db2.gz BFOASRVTSDANNL-IIDMSEBBSA-N 0 1 395.341 3.092 20 0 GGADMN COCCN(CCOC)Cc1ccc(I)c(Cl)c1 ZINC000436187101 567412282 /nfs/dbraw/zinc/41/22/82/567412282.db2.gz RQNUOSVTAVSTRJ-UHFFFAOYSA-N 0 1 383.657 3.039 20 0 GGADMN COc1cccc(C2(NCC(=O)Nc3ccc(Br)cn3)CCC2)c1 ZINC000662109496 567413530 /nfs/dbraw/zinc/41/35/30/567413530.db2.gz JWIWVUIDLLEIAS-UHFFFAOYSA-N 0 1 390.281 3.460 20 0 GGADMN N[C@H](c1cn([C@@H]2CCCc3ccc(Br)cc32)nn1)[C@@H]1CCCO1 ZINC000641122613 567414267 /nfs/dbraw/zinc/41/42/67/567414267.db2.gz KDRBCYJTSIHRPG-IXDOHACOSA-N 0 1 377.286 3.145 20 0 GGADMN N[C@H](c1cn([C@H]2CCCc3ccc(Br)cc32)nn1)[C@H]1CCCO1 ZINC000641122612 567414319 /nfs/dbraw/zinc/41/43/19/567414319.db2.gz KDRBCYJTSIHRPG-GVDBMIGSSA-N 0 1 377.286 3.145 20 0 GGADMN CC1(C)C[C@@H](N=c2nc[nH]c3cc(I)sc32)CCO1 ZINC000593464872 567415298 /nfs/dbraw/zinc/41/52/98/567415298.db2.gz ICZFJIKBMAZEIR-QMMMGPOBSA-N 0 1 389.262 3.087 20 0 GGADMN N[C@@H](c1cn(Cc2cccc3c(Br)cccc23)nn1)[C@@H]1CCCO1 ZINC000641129369 567415765 /nfs/dbraw/zinc/41/57/65/567415765.db2.gz LXSZMYSQUQBIOG-ROUUACIJSA-N 0 1 387.281 3.421 20 0 GGADMN Cc1cc(Br)c(C[N@@H+](CC(=O)[O-])C2CCOCC2)cc1Cl ZINC000662212656 567417646 /nfs/dbraw/zinc/41/76/46/567417646.db2.gz POVLJHBXMPKEKG-UHFFFAOYSA-N 0 1 376.678 3.477 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1CC(C)(C)O ZINC000436330669 567418669 /nfs/dbraw/zinc/41/86/69/567418669.db2.gz MITQYVJVCZFZRD-SNVBAGLBSA-N 0 1 380.341 3.042 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)n1cc(CN(C)C2CCCCC2)nn1 ZINC000641179042 567418698 /nfs/dbraw/zinc/41/86/98/567418698.db2.gz YKULQIJSJQYKPQ-LBPRGKRZSA-N 0 1 379.306 3.204 20 0 GGADMN Cc1cc(Br)c(Cn2cc([C@@H](N)[C@@H]3CCCO3)nn2)cc1Cl ZINC000641170850 567418808 /nfs/dbraw/zinc/41/88/08/567418808.db2.gz IVPVKUBGSWBQDF-LSDHHAIUSA-N 0 1 385.693 3.230 20 0 GGADMN CCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1ncc(C(=O)OC)s1 ZINC000593491720 567419138 /nfs/dbraw/zinc/41/91/38/567419138.db2.gz NAFBNNAYGCWJJM-ZJUUUORDSA-N 0 1 380.388 3.030 20 0 GGADMN C[C@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1CC(C)(C)O ZINC000436330668 567419229 /nfs/dbraw/zinc/41/92/29/567419229.db2.gz MITQYVJVCZFZRD-JTQLQIEISA-N 0 1 380.341 3.042 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000618874529 567419668 /nfs/dbraw/zinc/41/96/68/567419668.db2.gz JFQGJGBMNIWKGA-OLZOCXBDSA-N 0 1 386.279 3.304 20 0 GGADMN OCC[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1Br ZINC000549930834 567420016 /nfs/dbraw/zinc/42/00/16/567420016.db2.gz CWWXTYOATGSIOH-MAUKXSAKSA-N 0 1 382.273 3.205 20 0 GGADMN N[C@@H](c1cn(Cc2oc3ccccc3c2Br)nn1)[C@@H]1CCCO1 ZINC000641205034 567420215 /nfs/dbraw/zinc/42/02/15/567420215.db2.gz GRVIUPQOWINBSN-BBRMVZONSA-N 0 1 377.242 3.014 20 0 GGADMN N[C@H](c1cn(Cc2oc3ccccc3c2Br)nn1)[C@@H]1CCCO1 ZINC000641205037 567420390 /nfs/dbraw/zinc/42/03/90/567420390.db2.gz GRVIUPQOWINBSN-XJKSGUPXSA-N 0 1 377.242 3.014 20 0 GGADMN C[C@@H](CNC(=O)c1scc(Br)c1Br)N1CCCC1 ZINC000528427955 567421869 /nfs/dbraw/zinc/42/18/69/567421869.db2.gz BFDLTVLQUACREU-QMMMGPOBSA-N 0 1 396.148 3.487 20 0 GGADMN COC1(CC(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)CCC1 ZINC000477827189 567421894 /nfs/dbraw/zinc/42/18/94/567421894.db2.gz HGFJPCYLZAAIKR-UHFFFAOYSA-N 0 1 396.329 3.099 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000456873523 567422548 /nfs/dbraw/zinc/42/25/48/567422548.db2.gz AMFIIHKBNXNCDF-UHFFFAOYSA-N 0 1 396.373 3.212 20 0 GGADMN CN1C[C@H](CNCc2c(Cl)cccc2S(C)(=O)=O)Cc2ccccc21 ZINC000436406282 567422928 /nfs/dbraw/zinc/42/29/28/567422928.db2.gz BZERMLCHNJSTEH-AWEZNQCLSA-N 0 1 378.925 3.142 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC1=CCSC1 ZINC000662270468 567424355 /nfs/dbraw/zinc/42/43/55/567424355.db2.gz ODCOQHDGKVNBNA-CYBMUJFWSA-N 0 1 383.355 3.401 20 0 GGADMN C[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)N1CCN(C)CC1 ZINC000569712645 567425415 /nfs/dbraw/zinc/42/54/15/567425415.db2.gz BVHSEQFUGINMCR-AWEZNQCLSA-N 0 1 377.941 3.434 20 0 GGADMN CC(C)(N)c1noc(CN2CCc3[nH]c4ccc(Br)cc4c3C2)n1 ZINC000662306369 567425783 /nfs/dbraw/zinc/42/57/83/567425783.db2.gz YWKNDBRUSNSYMZ-UHFFFAOYSA-N 0 1 390.285 3.066 20 0 GGADMN CCSc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000477924154 567426167 /nfs/dbraw/zinc/42/61/67/567426167.db2.gz DMGUNTRPLDJGDX-OAHLLOKOSA-N 0 1 379.547 3.415 20 0 GGADMN O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1F)c1c(Cl)ccc(F)c1F ZINC000436478494 567426594 /nfs/dbraw/zinc/42/65/94/567426594.db2.gz PQWPWBYUEMPXMB-UHFFFAOYSA-N 0 1 388.758 3.343 20 0 GGADMN C[NH+](C)CCOc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436482710 567426898 /nfs/dbraw/zinc/42/68/98/567426898.db2.gz BFKSAZCREZRBML-UHFFFAOYSA-N 0 1 379.254 3.347 20 0 GGADMN CNS(=O)(=O)C[C@@H]1CCCN1C/C(C)=C\c1ccccc1C(F)(F)F ZINC000502281360 567426992 /nfs/dbraw/zinc/42/69/92/567426992.db2.gz HVHLPEUGATXCSI-WVUXNXBLSA-N 0 1 376.444 3.122 20 0 GGADMN O=C(Cc1ccc(Br)c(F)c1)NCCN1CCc2ccccc2C1 ZINC000502265376 567427093 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O[C@@H](CN1CCc2nc(-c3ccccc3Cl)sc2C1)CC1(O)CCC1 ZINC000528502062 567430935 /nfs/dbraw/zinc/43/09/35/567430935.db2.gz JERNPSLKNWWGSU-CYBMUJFWSA-N 0 1 378.925 3.488 20 0 GGADMN O=c1[nH]cccc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000569778663 567431484 /nfs/dbraw/zinc/43/14/84/567431484.db2.gz DRQZVFKSFLDYNT-UHFFFAOYSA-N 0 1 381.610 3.143 20 0 GGADMN O=C(NCc1ccccc1Cn1cncn1)c1c(O)cc(Cl)cc1Cl ZINC000436522899 567432274 /nfs/dbraw/zinc/43/22/74/567432274.db2.gz YCRUHAGFDAAOBM-UHFFFAOYSA-N 0 1 377.231 3.269 20 0 GGADMN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(Br)cc1O ZINC000436536247 567432664 /nfs/dbraw/zinc/43/26/64/567432664.db2.gz PKIFSTMVOAULGE-UHFFFAOYSA-N 0 1 395.228 3.383 20 0 GGADMN CN1CC[C@H](NCc2coc(S(C)(=O)=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528511946 567432600 /nfs/dbraw/zinc/43/26/00/567432600.db2.gz ZSAOAQDXYFTXKB-DOTOQJQBSA-N 0 1 386.876 3.011 20 0 GGADMN Cc1cc(C)n([C@H](C)CC(=O)NCc2nc3cccc(Br)c3[nH]2)n1 ZINC000457028090 567433076 /nfs/dbraw/zinc/43/30/76/567433076.db2.gz GMJOKYCASGTLOB-GFCCVEGCSA-N 0 1 390.285 3.406 20 0 GGADMN CCN(Cc1ccccc1)C(=O)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436541632 567433350 /nfs/dbraw/zinc/43/33/50/567433350.db2.gz XBGLAUUUKGZFHA-UHFFFAOYSA-N 0 1 381.259 3.478 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CC(N(C)C)C1 ZINC000478062003 567433681 /nfs/dbraw/zinc/43/36/81/567433681.db2.gz MVCYAMXUOLOUAF-UHFFFAOYSA-N 0 1 381.307 3.111 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1ccc(F)cc1O ZINC000436542086 567433914 /nfs/dbraw/zinc/43/39/14/567433914.db2.gz CTRQUJZCMRCYSX-UHFFFAOYSA-N 0 1 395.228 3.361 20 0 GGADMN Cc1noc(C)c1CCC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457049690 567434174 /nfs/dbraw/zinc/43/41/74/567434174.db2.gz UZHUGDHIKXHXLL-UHFFFAOYSA-N 0 1 377.242 3.179 20 0 GGADMN O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccc(Br)cc1O ZINC000436555733 567435037 /nfs/dbraw/zinc/43/50/37/567435037.db2.gz NQCZOSLXCYJMNT-UHFFFAOYSA-N 0 1 376.210 3.151 20 0 GGADMN CC[C@@H](C)CS(=O)(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000502450997 567435257 /nfs/dbraw/zinc/43/52/57/567435257.db2.gz LUPPQSCACKLRAK-CQSZACIVSA-N 0 1 380.476 3.445 20 0 GGADMN COc1cc(Br)c(CNC(=O)c2ccc(F)cc2O)cc1OC ZINC000436568435 567435261 /nfs/dbraw/zinc/43/52/61/567435261.db2.gz TVPFOJPZPRLAOD-UHFFFAOYSA-N 0 1 384.201 3.241 20 0 GGADMN Cc1c(C(=O)NCc2nc3cccc(Br)c3[nH]2)cnn1CC(C)C ZINC000457071632 567435540 /nfs/dbraw/zinc/43/55/40/567435540.db2.gz WSXDBCILJYXYMF-UHFFFAOYSA-N 0 1 390.285 3.416 20 0 GGADMN Cc1nc([C@@H]2CCCN(c3ncnc(C(F)(F)F)c3Br)C2)n[nH]1 ZINC000641440747 567435696 /nfs/dbraw/zinc/43/56/96/567435696.db2.gz WRMBWQWYGDWJBY-MRVPVSSYSA-N 0 1 391.195 3.068 20 0 GGADMN Cc1nnc([C@@H]2CCCN(c3ncnc(C(F)(F)F)c3Br)C2)[nH]1 ZINC000641440747 567435700 /nfs/dbraw/zinc/43/57/00/567435700.db2.gz WRMBWQWYGDWJBY-MRVPVSSYSA-N 0 1 391.195 3.068 20 0 GGADMN O=C(NCCCNC(=O)c1c(O)cc(Cl)cc1Cl)c1cccc(F)c1 ZINC000436557467 567435593 /nfs/dbraw/zinc/43/55/93/567435593.db2.gz WNWBFKKCUCLKMU-UHFFFAOYSA-N 0 1 385.222 3.388 20 0 GGADMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@@H+]1C ZINC000502455129 567435743 /nfs/dbraw/zinc/43/57/43/567435743.db2.gz BUUMYTJRAKMHMP-PSASIEDQSA-N 0 1 399.713 3.003 20 0 GGADMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@H+]1C ZINC000502455129 567435750 /nfs/dbraw/zinc/43/57/50/567435750.db2.gz BUUMYTJRAKMHMP-PSASIEDQSA-N 0 1 399.713 3.003 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)c1ncoc1[C@@H]1CCCO1 ZINC000457059295 567435945 /nfs/dbraw/zinc/43/59/45/567435945.db2.gz NTDHMRBSJJPHIP-NSHDSACASA-N 0 1 391.225 3.095 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)c1noc2c1CCCC2 ZINC000457062132 567436317 /nfs/dbraw/zinc/43/63/17/567436317.db2.gz PKTOZMXNZIPLGF-UHFFFAOYSA-N 0 1 375.226 3.122 20 0 GGADMN CSCc1cccnc1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457066792 567436329 /nfs/dbraw/zinc/43/63/29/567436329.db2.gz KBGJHSMGVWRXMQ-UHFFFAOYSA-N 0 1 375.460 3.433 20 0 GGADMN CNC(=O)Nc1cc(NC(=O)c2ccc(Br)cc2O)ccc1F ZINC000436603898 567436398 /nfs/dbraw/zinc/43/63/98/567436398.db2.gz IPRSFHWIAARWOV-UHFFFAOYSA-N 0 1 382.189 3.297 20 0 GGADMN Cc1cnc(CCCC(=O)NCc2nc3cccc(Br)c3[nH]2)o1 ZINC000457064047 567436451 /nfs/dbraw/zinc/43/64/51/567436451.db2.gz QLNMKINPJRZVOF-UHFFFAOYSA-N 0 1 377.242 3.261 20 0 GGADMN CN1CCc2ccc(NC(=O)c3ccc(Br)cc3O)cc2C1=O ZINC000436582576 567436466 /nfs/dbraw/zinc/43/64/66/567436466.db2.gz IKUXOETXKKNAQQ-UHFFFAOYSA-N 0 1 375.222 3.035 20 0 GGADMN Cc1nc(CC(=O)NCc2nc3cccc(Br)c3[nH]2)c(C)s1 ZINC000457062125 567436631 /nfs/dbraw/zinc/43/66/31/567436631.db2.gz PJVPMCMVPMPXCV-UHFFFAOYSA-N 0 1 379.283 3.258 20 0 GGADMN Oc1cc(Br)ccc1-c1nc(-c2cnc(OCC(F)F)cn2)no1 ZINC000436597090 567437184 /nfs/dbraw/zinc/43/71/84/567437184.db2.gz SWPSGUDHQLNPNW-UHFFFAOYSA-N 0 1 399.151 3.306 20 0 GGADMN COc1cc(N(C)C(=O)c2ccc(Br)cc2O)cc(OC)c1OC ZINC000436589672 567437291 /nfs/dbraw/zinc/43/72/91/567437291.db2.gz KYJIRJPHWPJXMV-UHFFFAOYSA-N 0 1 396.237 3.457 20 0 GGADMN CN(C(=O)c1nnc(C(C)(C)C)s1)C1CCN(CCC(F)(F)F)CC1 ZINC000457076592 567437700 /nfs/dbraw/zinc/43/77/00/567437700.db2.gz YOPKEFDAASHNLV-UHFFFAOYSA-N 0 1 378.464 3.324 20 0 GGADMN CN(CCC(N)=O)Cc1cc(Br)ccc1OCc1ccccc1 ZINC000569855677 567437757 /nfs/dbraw/zinc/43/77/57/567437757.db2.gz CDFWDHQOJJHTND-UHFFFAOYSA-N 0 1 377.282 3.335 20 0 GGADMN CN(C(=O)c1cncc(Br)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000457084468 567437788 /nfs/dbraw/zinc/43/77/88/567437788.db2.gz LBIGDRWNYXMUKO-UHFFFAOYSA-N 0 1 394.235 3.333 20 0 GGADMN CN(C(=O)CCSc1ccccn1)C1CCN(CCC(F)(F)F)CC1 ZINC000457088742 567437811 /nfs/dbraw/zinc/43/78/11/567437811.db2.gz SGMCHKSEWUMKOA-UHFFFAOYSA-N 0 1 375.460 3.439 20 0 GGADMN CN(C(=O)COC(C)(C)C(F)(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000457074251 567437834 /nfs/dbraw/zinc/43/78/34/567437834.db2.gz VFYVITQLRJZHGI-UHFFFAOYSA-N 0 1 378.357 3.219 20 0 GGADMN CN(C(=O)c1cc(Br)cn1C)C1CCN(CCC(F)(F)F)CC1 ZINC000457079505 567437849 /nfs/dbraw/zinc/43/78/49/567437849.db2.gz FNJPYBPWNNWBEV-UHFFFAOYSA-N 0 1 396.251 3.276 20 0 GGADMN CCSCc1cc(C(=O)NCc2nc3cccc(Br)c3[nH]2)no1 ZINC000457075547 567438235 /nfs/dbraw/zinc/43/82/35/567438235.db2.gz ZNSSLQWYQRVXTB-UHFFFAOYSA-N 0 1 395.282 3.497 20 0 GGADMN CN(C(=O)CSCc1ccncc1)C1CCN(CCC(F)(F)F)CC1 ZINC000457088251 567438299 /nfs/dbraw/zinc/43/82/99/567438299.db2.gz QWTIZVINSPOTLA-UHFFFAOYSA-N 0 1 375.460 3.190 20 0 GGADMN C[C@@H]1CCc2onc(C(=O)NCc3nc4cccc(Br)c4[nH]3)c2C1 ZINC000457074805 567438520 /nfs/dbraw/zinc/43/85/20/567438520.db2.gz ZDDUAPGWILRHAB-SECBINFHSA-N 0 1 389.253 3.368 20 0 GGADMN OC[C@@H](CNCc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000550274842 567438758 /nfs/dbraw/zinc/43/87/58/567438758.db2.gz ATHHSWVCFQVNMK-OAHLLOKOSA-N 0 1 393.329 3.308 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000457099887 567439389 /nfs/dbraw/zinc/43/93/89/567439389.db2.gz VXGALEHIFDJWFV-LBPRGKRZSA-N 0 1 392.297 3.258 20 0 GGADMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000457099887 567439395 /nfs/dbraw/zinc/43/93/95/567439395.db2.gz VXGALEHIFDJWFV-LBPRGKRZSA-N 0 1 392.297 3.258 20 0 GGADMN COCCC1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000528575661 567439846 /nfs/dbraw/zinc/43/98/46/567439846.db2.gz BLHZHBOTNNCMPF-UHFFFAOYSA-N 0 1 389.359 3.218 20 0 GGADMN C[C@H](NC(=O)CN1CCC(CCC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000502505452 567440107 /nfs/dbraw/zinc/44/01/07/567440107.db2.gz CISJECRFPDCZBX-LBPRGKRZSA-N 0 1 386.323 3.148 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(Br)c2)[C@H](C)C1 ZINC000528583322 567440196 /nfs/dbraw/zinc/44/01/96/567440196.db2.gz HCVGAWAJLDPQOI-DYVFJYSZSA-N 0 1 399.329 3.022 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)c1 ZINC000436649483 567440369 /nfs/dbraw/zinc/44/03/69/567440369.db2.gz WRIAXUYAVZQZAT-UHFFFAOYSA-N 0 1 381.475 3.152 20 0 GGADMN CSc1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000569882991 567440466 /nfs/dbraw/zinc/44/04/66/567440466.db2.gz WHJLGWVIWHSCEP-DNVCBOLYSA-N 0 1 376.547 3.350 20 0 GGADMN COCCC1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000528572312 567440483 /nfs/dbraw/zinc/44/04/83/567440483.db2.gz 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OC[C@@H](CC(F)(F)F)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000641742988 567454354 /nfs/dbraw/zinc/45/43/54/567454354.db2.gz DTNIAWUHOSMQFA-MRVPVSSYSA-N 0 1 384.221 3.304 20 0 GGADMN OC[C@H](CC(F)(F)F)NCc1cc(Br)ccc1OC(F)F ZINC000641742943 567454450 /nfs/dbraw/zinc/45/44/50/567454450.db2.gz CVPSKPMTTRUVOA-VIFPVBQESA-N 0 1 378.135 3.453 20 0 GGADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000594033812 567454633 /nfs/dbraw/zinc/45/46/33/567454633.db2.gz NUVJWIYDEZSICV-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN Cc1cc(I)ccc1NC(=O)c1ccc2cncn2c1 ZINC000550649715 567455796 /nfs/dbraw/zinc/45/57/96/567455796.db2.gz SSDXBZQMOQJXAU-UHFFFAOYSA-N 0 1 377.185 3.500 20 0 GGADMN COCc1csc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000662662750 567455827 /nfs/dbraw/zinc/45/58/27/567455827.db2.gz CXIGLWDDYNPPSX-MRXNPFEDSA-N 0 1 383.311 3.147 20 0 GGADMN CNC(=O)[C@H]1CCC[C@@H]1NCc1ncc(-c2ccc(Br)cc2)o1 ZINC000502831627 567456075 /nfs/dbraw/zinc/45/60/75/567456075.db2.gz CLOUDTVAWZETIN-KBPBESRZSA-N 0 1 378.270 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C[C@](N)(C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000662756381 567461404 /nfs/dbraw/zinc/46/14/04/567461404.db2.gz FMZRGYMCCDKVDN-RVKKMQEKSA-N 0 1 381.314 3.039 20 0 GGADMN O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1ccc(O)c(Cl)c1 ZINC000436871479 567463250 /nfs/dbraw/zinc/46/32/50/567463250.db2.gz UENWLTPJOJTFGA-GFCCVEGCSA-N 0 1 398.684 3.389 20 0 GGADMN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000478501062 567463407 /nfs/dbraw/zinc/46/34/07/567463407.db2.gz LKULLAIRBBUTAH-LBPRGKRZSA-N 0 1 382.291 3.269 20 0 GGADMN O=C(CN1CCc2ccccc21)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000619540975 567463720 /nfs/dbraw/zinc/46/37/20/567463720.db2.gz RZRHONGEJIAZLF-UHFFFAOYSA-N 0 1 398.264 3.235 20 0 GGADMN C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(Br)ccc1[O-] ZINC000436906643 567464070 /nfs/dbraw/zinc/46/40/70/567464070.db2.gz CZAOFVGWTFIFKL-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN NC(=O)CN(Cc1ccc(I)c(Cl)c1)C1CCCC1 ZINC000619552619 567464763 /nfs/dbraw/zinc/46/47/63/567464763.db2.gz VQEVHHOEJBFQAH-UHFFFAOYSA-N 0 1 392.668 3.175 20 0 GGADMN Oc1cc(Br)ccc1-c1nc(-c2ccnc(-n3cccn3)c2)no1 ZINC000436891768 567465187 /nfs/dbraw/zinc/46/51/87/567465187.db2.gz HKRBPJHPBOEGKN-UHFFFAOYSA-N 0 1 384.193 3.452 20 0 GGADMN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195729 567465394 /nfs/dbraw/zinc/46/53/94/567465394.db2.gz IDIMWJQTUYOINI-IRXDYDNUSA-N 0 1 380.941 3.389 20 0 GGADMN O=C(c1c(Br)ccc2ccccc21)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000528880937 567465876 /nfs/dbraw/zinc/46/58/76/567465876.db2.gz GLTXINJJSXYHAK-LBPRGKRZSA-N 0 1 386.253 3.135 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570208471 567466182 /nfs/dbraw/zinc/46/61/82/567466182.db2.gz WYZRNOLFFLQEPD-QAPCUYQASA-N 0 1 388.309 3.152 20 0 GGADMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(CN)o1 ZINC000662859972 567466191 /nfs/dbraw/zinc/46/61/91/567466191.db2.gz ZJNRVYPMNOUUSW-BZNIZROVSA-N 0 1 379.254 3.103 20 0 GGADMN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(O)c(Cl)c1 ZINC000436915576 567466804 /nfs/dbraw/zinc/46/68/04/567466804.db2.gz PBIMBDVCMGDLQA-LBPRGKRZSA-N 0 1 375.730 3.408 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cccc(Br)c1Cl ZINC000503066479 567467602 /nfs/dbraw/zinc/46/76/02/567467602.db2.gz CAGGMDOFUXNGEJ-UHFFFAOYSA-N 0 1 377.629 3.357 20 0 GGADMN O=C(N[C@@H]1COc2ccc(F)cc21)c1cc(Br)cc2nc[nH]c21 ZINC000503067056 567468303 /nfs/dbraw/zinc/46/83/03/567468303.db2.gz ZTYADWAQMMQAMT-CYBMUJFWSA-N 0 1 376.185 3.328 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(F)c(Br)c2F)C1(C)C ZINC000662922010 567468908 /nfs/dbraw/zinc/46/89/08/567468908.db2.gz QGPAGUIHSXVKJC-BONVTDFDSA-N 0 1 377.229 3.198 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(F)c(Br)c2F)C1(C)C ZINC000662922012 567469021 /nfs/dbraw/zinc/46/90/21/567469021.db2.gz QGPAGUIHSXVKJC-ZUZCIYMTSA-N 0 1 377.229 3.198 20 0 GGADMN O=C(COc1c(Cl)cccc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000642119759 567469077 /nfs/dbraw/zinc/46/90/77/567469077.db2.gz CWXUNTXTFMIZEW-AWEZNQCLSA-N 0 1 387.307 3.086 20 0 GGADMN C[C@@H](CN(C)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nn[nH]n1 ZINC000478593413 567469644 /nfs/dbraw/zinc/46/96/44/567469644.db2.gz LSIORYCSXWCBRD-JTQLQIEISA-N 0 1 384.267 3.122 20 0 GGADMN O=C(NCc1cccc(N2CCOCC2)c1)c1c(O)cc(Cl)cc1Cl ZINC000436954056 567469992 /nfs/dbraw/zinc/46/99/92/567469992.db2.gz DOBXBXOPHWPBDS-UHFFFAOYSA-N 0 1 381.259 3.466 20 0 GGADMN NC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000642178314 567470068 /nfs/dbraw/zinc/47/00/68/567470068.db2.gz FBWBMHBIGDRLGU-UHFFFAOYSA-N 0 1 399.248 3.119 20 0 GGADMN CCCN(CCC)S(=O)(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000642191141 567470324 /nfs/dbraw/zinc/47/03/24/567470324.db2.gz URKCSSJYAFXWJQ-KRWDZBQOSA-N 0 1 387.615 3.478 20 0 GGADMN O=C(c1cc(O)cc(Br)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000528930767 567470341 /nfs/dbraw/zinc/47/03/41/567470341.db2.gz FJTDPKKJKKCARY-LLVKDONJSA-N 0 1 391.269 3.170 20 0 GGADMN C[C@@H](NCCc1cnn(C)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000503168426 567471018 /nfs/dbraw/zinc/47/10/18/567471018.db2.gz WXEGBRKTIAIEGR-LLVKDONJSA-N 0 1 376.258 3.126 20 0 GGADMN CC(C)(C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436990993 567472128 /nfs/dbraw/zinc/47/21/28/567472128.db2.gz RZBHIJPXVCAVDF-UHFFFAOYSA-N 0 1 382.869 3.375 20 0 GGADMN Cc1cc(CN[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)n(C)n1 ZINC000551003890 567472856 /nfs/dbraw/zinc/47/28/56/567472856.db2.gz SPJREFNSWUIBEP-QGZVFWFLSA-N 0 1 391.313 3.085 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1Cl ZINC000642259953 567473418 /nfs/dbraw/zinc/47/34/18/567473418.db2.gz FMGBRYWAJIOAOD-UHFFFAOYSA-N 0 1 375.233 3.323 20 0 GGADMN O=C([O-])[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000663046072 567474761 /nfs/dbraw/zinc/47/47/61/567474761.db2.gz PJRZRLQNVYNCHJ-MRXNPFEDSA-N 0 1 385.291 3.185 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)c(C)[nH]1 ZINC000642291039 567474935 /nfs/dbraw/zinc/47/49/35/567474935.db2.gz LYGSQKDQGGIJBM-UHFFFAOYSA-N 0 1 391.313 3.398 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000642364535 567475465 /nfs/dbraw/zinc/47/54/65/567475465.db2.gz MUYGFEAFHZQNAJ-GFCCVEGCSA-N 0 1 383.901 3.143 20 0 GGADMN O=C([O-])[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000663084287 567475802 /nfs/dbraw/zinc/47/58/02/567475802.db2.gz ICFJTLSGKBWSRY-INIZCTEOSA-N 0 1 385.291 3.185 20 0 GGADMN Cc1cn(-c2cccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)c2)c(=O)[nH]1 ZINC000478692646 567475976 /nfs/dbraw/zinc/47/59/76/567475976.db2.gz BYMAQKTYQWCBSU-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331547 567476095 /nfs/dbraw/zinc/47/60/95/567476095.db2.gz AVJKGJGTHXISNV-IUCAKERBSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331547 567476101 /nfs/dbraw/zinc/47/61/01/567476101.db2.gz AVJKGJGTHXISNV-IUCAKERBSA-N 0 1 386.271 3.246 20 0 GGADMN CN1CCCC[C@@H]1C(=O)NCc1ccc(I)c(Cl)c1 ZINC000619731134 567475989 /nfs/dbraw/zinc/47/59/89/567475989.db2.gz DPMWQXRGOGIQHC-CYBMUJFWSA-N 0 1 392.668 3.045 20 0 GGADMN CCCc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000642335541 567476102 /nfs/dbraw/zinc/47/61/02/567476102.db2.gz MZWJTQSLPBSYAM-UHFFFAOYSA-N 0 1 382.595 3.279 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331546 567476290 /nfs/dbraw/zinc/47/62/90/567476290.db2.gz AVJKGJGTHXISNV-DTWKUNHWSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000570331546 567476291 /nfs/dbraw/zinc/47/62/91/567476291.db2.gz AVJKGJGTHXISNV-DTWKUNHWSA-N 0 1 386.271 3.246 20 0 GGADMN Cc1nc(CCNC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cs1 ZINC000457599220 567476681 /nfs/dbraw/zinc/47/66/81/567476681.db2.gz LVLLGELBKLTUIJ-UHFFFAOYSA-N 0 1 378.464 3.052 20 0 GGADMN COC(=O)[C@]1(C)CN(Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C ZINC000503256006 567477225 /nfs/dbraw/zinc/47/72/25/567477225.db2.gz JOYNDSKLNNZCHB-KZULUSFZSA-N 0 1 398.297 3.241 20 0 GGADMN CCOC(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000437096033 567477189 /nfs/dbraw/zinc/47/71/89/567477189.db2.gz MKUBJNKMVYULCL-ZDUSSCGKSA-N 0 1 376.316 3.072 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(C)cc1C ZINC000478701940 567477344 /nfs/dbraw/zinc/47/73/44/567477344.db2.gz IABMOPSFFBHYJN-UHFFFAOYSA-N 0 1 380.853 3.261 20 0 GGADMN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)cn1 ZINC000478710441 567477413 /nfs/dbraw/zinc/47/74/13/567477413.db2.gz MJUNPJPGENIMPM-JTQLQIEISA-N 0 1 383.857 3.231 20 0 GGADMN Cc1cc(Br)c(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)s1 ZINC000457582714 567477542 /nfs/dbraw/zinc/47/75/42/567477542.db2.gz QKDREABVKIENDF-UHFFFAOYSA-N 0 1 395.282 3.114 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H](C)CC(F)(F)F)c1F ZINC000594464651 567477746 /nfs/dbraw/zinc/47/77/46/567477746.db2.gz RBIWBXYJWIWJRN-SSDOTTSWSA-N 0 1 391.770 3.133 20 0 GGADMN Brc1cccc(C2(c3noc([C@H]4CCCc5nn[nH]c54)n3)CC2)c1 ZINC000663160908 567478724 /nfs/dbraw/zinc/47/87/24/567478724.db2.gz NVUURMYRAYIWPP-LBPRGKRZSA-N 0 1 386.253 3.498 20 0 GGADMN COCCOc1cccc(CN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000503268345 567478731 /nfs/dbraw/zinc/47/87/31/567478731.db2.gz FKLFBDNMMDKBBE-GOSISDBHSA-N 0 1 380.282 3.298 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1Br ZINC000642396739 567479075 /nfs/dbraw/zinc/47/90/75/567479075.db2.gz HPEFVTXNZGAROU-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1cc(N2CCC(CCCN3CCOCC3)CC2)ncc1Br ZINC000503277455 567479049 /nfs/dbraw/zinc/47/90/49/567479049.db2.gz QTKFEQXILFTRLW-UHFFFAOYSA-N 0 1 382.346 3.481 20 0 GGADMN CCCCn1c(=O)[nH]nc1S[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000478721429 567479185 /nfs/dbraw/zinc/47/91/85/567479185.db2.gz HPLUZFSAKAHRHH-ZDUSSCGKSA-N 0 1 384.864 3.474 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000642396767 567479685 /nfs/dbraw/zinc/47/96/85/567479685.db2.gz JNSBNVUBTYPANP-OKILXGFUSA-N 0 1 384.318 3.378 20 0 GGADMN O=C(Cc1cc(Cl)ccc1Cl)N1CCC(n2ncc3c2CNC3)CC1 ZINC000570389777 567480661 /nfs/dbraw/zinc/48/06/61/567480661.db2.gz KFWCJBKEMPAFKI-UHFFFAOYSA-N 0 1 379.291 3.199 20 0 GGADMN Cc1csc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1Cl ZINC000478750640 567480906 /nfs/dbraw/zinc/48/09/06/567480906.db2.gz ZUAOYQJVMUUYFJ-UHFFFAOYSA-N 0 1 377.941 3.258 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(Br)c1 ZINC000642515927 567481132 /nfs/dbraw/zinc/48/11/32/567481132.db2.gz YZHRXIOPKJZQBQ-KGLIPLIRSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@@H]1C[C@@]1(NCC(=O)NC(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000503372105 567481235 /nfs/dbraw/zinc/48/12/35/567481235.db2.gz JGCDTPCCEMYZGC-XIKOKIGWSA-N 0 1 377.897 3.252 20 0 GGADMN CS(=O)(=O)CC1(CN2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000503367236 567481621 /nfs/dbraw/zinc/48/16/21/567481621.db2.gz AWYSOQODEIIPRJ-UHFFFAOYSA-N 0 1 386.355 3.453 20 0 GGADMN C[C@H]1C[C@@]1(NCC(=O)NC(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000503372104 567482052 /nfs/dbraw/zinc/48/20/52/567482052.db2.gz JGCDTPCCEMYZGC-SGTLLEGYSA-N 0 1 377.897 3.252 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CN1CCC(c2ccc(Br)cc2)CC1 ZINC000503403357 567482788 /nfs/dbraw/zinc/48/27/88/567482788.db2.gz DHRIRLXPXBAJGQ-UHFFFAOYSA-N 0 1 396.329 3.253 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000570423415 567483100 /nfs/dbraw/zinc/48/31/00/567483100.db2.gz BRNAMEYHTGOIFN-CPCISQLKSA-N 0 1 382.287 3.083 20 0 GGADMN O=C(c1cc(Br)co1)N1CCC(CCCN2CCOCC2)CC1 ZINC000457700368 567483674 /nfs/dbraw/zinc/48/36/74/567483674.db2.gz PDSXQLKXJHCHKE-UHFFFAOYSA-N 0 1 385.302 3.007 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](C)C(=O)OC(C)(C)C ZINC000594515859 567483791 /nfs/dbraw/zinc/48/37/91/567483791.db2.gz TYOQDOYJPPEWTC-LBPRGKRZSA-N 0 1 375.918 3.201 20 0 GGADMN O=C(Cc1csc(-c2cc(Br)cs2)n1)NCc1cnc[nH]1 ZINC000478832827 567485666 /nfs/dbraw/zinc/48/56/66/567485666.db2.gz RTPCOVLHBJIMBY-UHFFFAOYSA-N 0 1 383.296 3.216 20 0 GGADMN CS(=O)(=O)CC1CCC(N[C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000551175494 567485825 /nfs/dbraw/zinc/48/58/25/567485825.db2.gz KWUBLZORWVUZSX-QOZQQMKHSA-N 0 1 380.337 3.220 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000642657684 567486074 /nfs/dbraw/zinc/48/60/74/567486074.db2.gz AIAAERUZBDJRLZ-INIZCTEOSA-N 0 1 385.961 3.088 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000570456766 567486197 /nfs/dbraw/zinc/48/61/97/567486197.db2.gz LIVKUHGEMPVCIV-HZEYSBKDSA-N 0 1 388.291 3.452 20 0 GGADMN O=C(NCc1cnc[nH]1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000478827194 567486216 /nfs/dbraw/zinc/48/62/16/567486216.db2.gz KXHIJFVFLPSCRH-UHFFFAOYSA-N 0 1 376.210 3.274 20 0 GGADMN FC(F)(F)[C@H](CN[C@@H]1CCc2sc(Br)cc21)N1CCOCC1 ZINC000551198696 567486652 /nfs/dbraw/zinc/48/66/52/567486652.db2.gz PFPLSEJYPWHDPI-PWSUYJOCSA-N 0 1 399.276 3.351 20 0 GGADMN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cncc(Br)c1 ZINC000570463970 567487319 /nfs/dbraw/zinc/48/73/19/567487319.db2.gz IUBLSZWTUDBJAR-BXUZGUMPSA-N 0 1 378.245 3.439 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2ccc(F)c(Br)c2F)c1 ZINC000663261307 567487639 /nfs/dbraw/zinc/48/76/39/567487639.db2.gz 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C[C@H](CO[C@@H]1CCOC1)NCc1cc(Cl)ccc1I ZINC000594931769 567527150 /nfs/dbraw/zinc/52/71/50/567527150.db2.gz IDIGTEWPUNJCQS-ZWNOBZJWSA-N 0 1 395.668 3.228 20 0 GGADMN COCC1(NCc2cc(Cl)ccc2I)CCOCC1 ZINC000594944348 567527684 /nfs/dbraw/zinc/52/76/84/567527684.db2.gz NZQCSZIILMMWAO-UHFFFAOYSA-N 0 1 395.668 3.230 20 0 GGADMN CC(C)(O)CN(Cc1ncc(Cl)cc1Br)C1CCOCC1 ZINC000529534064 567528035 /nfs/dbraw/zinc/52/80/35/567528035.db2.gz YLFRVPZIXZJQSU-UHFFFAOYSA-N 0 1 377.710 3.249 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H](CO)c1ccccc1Cl)c1ccsc1 ZINC000479356408 567528139 /nfs/dbraw/zinc/52/81/39/567528139.db2.gz XSTCCTJMDVQLTP-RHSMWYFYSA-N 0 1 381.929 3.080 20 0 GGADMN CCOC(=O)c1cc(N2CCN(CCc3cccs3)CC2)ncc1Cl ZINC000479378758 567529111 /nfs/dbraw/zinc/52/91/11/567529111.db2.gz PQVUMCBJOOSIPR-UHFFFAOYSA-N 0 1 379.913 3.338 20 0 GGADMN Clc1cc(I)cc(CNCc2cnc3n2CCC3)c1 ZINC000594951173 567529211 /nfs/dbraw/zinc/52/92/11/567529211.db2.gz SJXVQCXSFWPFSZ-UHFFFAOYSA-N 0 1 387.652 3.377 20 0 GGADMN C[S@](=O)[C@@H]1CCC[C@@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000594958899 567529324 /nfs/dbraw/zinc/52/93/24/567529324.db2.gz AHKSLRXPDFHFHB-USCZKRCMSA-N 0 1 378.519 3.318 20 0 GGADMN CN(C)CCN(Cc1ccsc1)C(=O)CSCC(=O)c1ccccc1 ZINC000458197004 567530331 /nfs/dbraw/zinc/53/03/31/567530331.db2.gz FJIHUJFYSVPTMZ-UHFFFAOYSA-N 0 1 376.547 3.254 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000458195583 567530407 /nfs/dbraw/zinc/53/04/07/567530407.db2.gz HRPDXXKECDTROM-CYBMUJFWSA-N 0 1 384.318 3.083 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)CCc1cc(F)ccc1Br ZINC000644090753 567530673 /nfs/dbraw/zinc/53/06/73/567530673.db2.gz GLXUSGGQGIJOBP-MRXNPFEDSA-N 0 1 395.272 3.346 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)[C@H](C)c1ccc(Br)s1 ZINC000644092672 567530874 /nfs/dbraw/zinc/53/08/74/567530874.db2.gz RISQTDZDPLSIOO-PWSUYJOCSA-N 0 1 383.311 3.439 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000644091676 567531520 /nfs/dbraw/zinc/53/15/20/567531520.db2.gz ZRIGCYLSNSJKOS-SWLSCSKDSA-N 0 1 393.281 3.041 20 0 GGADMN O=S(=O)(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c(F)cccc1F ZINC000620624515 567531599 /nfs/dbraw/zinc/53/15/99/567531599.db2.gz IXBJCNXAAQQVGW-GFCCVEGCSA-N 0 1 386.851 3.423 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000644093195 567531722 /nfs/dbraw/zinc/53/17/22/567531722.db2.gz AAAAZWTYWAGEMY-MLGOLLRUSA-N 0 1 393.281 3.041 20 0 GGADMN O=C1CCCN1[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529559956 567531898 /nfs/dbraw/zinc/53/18/98/567531898.db2.gz ZHUXNPDPKWAJAM-GFCCVEGCSA-N 0 1 395.326 3.097 20 0 GGADMN C[C@@H](C[C@H]1CCCO1)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458211978 567532392 /nfs/dbraw/zinc/53/23/92/567532392.db2.gz BEATZGXXLHBOKY-WDEREUQCSA-N 0 1 381.274 3.082 20 0 GGADMN O=c1cc(CN[C@H](c2cncc(Br)c2)C2CC2)nc2ccccn12 ZINC000551749000 567532668 /nfs/dbraw/zinc/53/26/68/567532668.db2.gz FIIIPMWONYYTMK-SFHVURJKSA-N 0 1 385.265 3.093 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479410285 567532759 /nfs/dbraw/zinc/53/27/59/567532759.db2.gz RJPPAWBYJLBYQC-BMIGLBTASA-N 0 1 378.307 3.452 20 0 GGADMN C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000551749684 567533018 /nfs/dbraw/zinc/53/30/18/567533018.db2.gz LQKKEDNKZINLMU-VFVRVIDISA-N 0 1 380.330 3.389 20 0 GGADMN Cc1nc(C)c(Br)c(NCc2n[nH]c(COc3ccccc3)n2)n1 ZINC000663811362 567533435 /nfs/dbraw/zinc/53/34/35/567533435.db2.gz XUWHSUAWZFHLQZ-UHFFFAOYSA-N 0 1 389.257 3.165 20 0 GGADMN CCC(CC)(CO)CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479413637 567533695 /nfs/dbraw/zinc/53/36/95/567533695.db2.gz KSBCSWABMFTGTI-SNVBAGLBSA-N 0 1 383.341 3.090 20 0 GGADMN O=C(NCCCCc1ccc(Cl)s1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000504443506 567535398 /nfs/dbraw/zinc/53/53/98/567535398.db2.gz RBHHLBYKEKVAJU-HNNXBMFYSA-N 0 1 385.961 3.088 20 0 GGADMN C[C@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C(F)(F)F ZINC000479456417 567535862 /nfs/dbraw/zinc/53/58/62/567535862.db2.gz PKVQRFHJUGDLTN-RQJHMYQMSA-N 0 1 379.231 3.490 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@H](CO)CC1 ZINC000571082980 567535780 /nfs/dbraw/zinc/53/57/80/567535780.db2.gz XWDLQEDJAWGIAK-LBPRGKRZSA-N 0 1 378.270 3.074 20 0 GGADMN C[C@H](NC[C@H](C)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479456411 567536134 /nfs/dbraw/zinc/53/61/34/567536134.db2.gz PKVQRFHJUGDLTN-BQBZGAKWSA-N 0 1 379.231 3.490 20 0 GGADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479456413 567536605 /nfs/dbraw/zinc/53/66/05/567536605.db2.gz PKVQRFHJUGDLTN-NKWVEPMBSA-N 0 1 379.231 3.490 20 0 GGADMN Ic1ccc2c(c1)[C@H](NCc1n[nH]c(C3CC3)n1)CC2 ZINC000595039675 567537446 /nfs/dbraw/zinc/53/74/46/567537446.db2.gz AAXKJMZDDFJEIB-CYBMUJFWSA-N 0 1 380.233 3.064 20 0 GGADMN COC(=O)c1ccc(CNCCC(=O)N2CCCCCC2)c(Br)c1 ZINC000551805219 567537547 /nfs/dbraw/zinc/53/75/47/567537547.db2.gz CHBRXQALQCKKDR-UHFFFAOYSA-N 0 1 397.313 3.118 20 0 GGADMN COc1ccncc1CN[C@H]1CCc2ccc(I)cc21 ZINC000595038917 567537790 /nfs/dbraw/zinc/53/77/90/567537790.db2.gz QDRRSYZEWSPROT-HNNXBMFYSA-N 0 1 380.229 3.472 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(F)cc3Br)n2)o1 ZINC000479470242 567537863 /nfs/dbraw/zinc/53/78/63/567537863.db2.gz YOWRESFZBMVFFJ-UHFFFAOYSA-N 0 1 395.188 3.292 20 0 GGADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000479481856 567538463 /nfs/dbraw/zinc/53/84/63/567538463.db2.gz IDOKMOXAUSKFBL-DQYPLSBCSA-N 0 1 377.282 3.341 20 0 GGADMN CO[C@H](c1ccccc1)[C@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000479481859 567539453 /nfs/dbraw/zinc/53/94/53/567539453.db2.gz IDOKMOXAUSKFBL-ZLIFDBKOSA-N 0 1 377.282 3.341 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000458323530 567540177 /nfs/dbraw/zinc/54/01/77/567540177.db2.gz ZTUPFNCQWIJTHI-XPTSAGLGSA-N 0 1 396.314 3.192 20 0 GGADMN COCC(C)(C)CN(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000504544783 567540484 /nfs/dbraw/zinc/54/04/84/567540484.db2.gz FVAGMIHVPIZUFQ-UHFFFAOYSA-N 0 1 377.348 3.121 20 0 GGADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N=c1ccn(CCN(C)C)[nH]1 ZINC000438710466 567541163 /nfs/dbraw/zinc/54/11/63/567541163.db2.gz NAHFEBFWNZPNFI-LBPRGKRZSA-N 0 1 384.311 3.398 20 0 GGADMN COC(=O)COc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1Cl ZINC000479500899 567541206 /nfs/dbraw/zinc/54/12/06/567541206.db2.gz VYZURZFWLYIMCW-UHFFFAOYSA-N 0 1 387.816 3.140 20 0 GGADMN C[C@@H](N[C@@H](CO)CCC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479525139 567541687 /nfs/dbraw/zinc/54/16/87/567541687.db2.gz IVHIPNHZQBHFRA-GHMZBOCLSA-N 0 1 397.368 3.479 20 0 GGADMN CN(C(=O)c1c[nH]c2ccc(I)cc2c1=O)C(C)(C)C ZINC000571167905 567542041 /nfs/dbraw/zinc/54/20/41/567542041.db2.gz GNWLXUVVSHILKP-UHFFFAOYSA-N 0 1 384.217 3.003 20 0 GGADMN O=C(c1cnc([C@@H]2CCCO2)s1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000571157548 567542131 /nfs/dbraw/zinc/54/21/31/567542131.db2.gz GKTFCORYDFKNGO-CABCVRRESA-N 0 1 377.897 3.435 20 0 GGADMN NC(=O)[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(Br)cc1 ZINC000479522902 567542533 /nfs/dbraw/zinc/54/25/33/567542533.db2.gz DROCBTVFUUNWCW-HOTGVXAUSA-N 0 1 381.314 3.447 20 0 GGADMN CC(C)[C@@H](Oc1ccccc1Br)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000551919751 567542965 /nfs/dbraw/zinc/54/29/65/567542965.db2.gz BEKSIISGMWOGCM-YVEFUNNKSA-N 0 1 392.297 3.249 20 0 GGADMN COc1c(Br)cccc1CNCCNC(=O)c1cccc(C)c1 ZINC000479541183 567543177 /nfs/dbraw/zinc/54/31/77/567543177.db2.gz MAQHGDVSGDHNKB-UHFFFAOYSA-N 0 1 377.282 3.286 20 0 GGADMN O=C(CCCC(=O)c1ccc(Br)cc1)NCCN1CCCCC1 ZINC000438767783 567543364 /nfs/dbraw/zinc/54/33/64/567543364.db2.gz ARHMWCOTGJPSNJ-UHFFFAOYSA-N 0 1 381.314 3.404 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(OC(F)F)c2)cs1 ZINC000438770926 567544132 /nfs/dbraw/zinc/54/41/32/567544132.db2.gz IXZAOKPUHFDBMP-UHFFFAOYSA-N 0 1 377.390 3.245 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3ccc(F)c(Br)c3)cc12 ZINC000438771783 567544747 /nfs/dbraw/zinc/54/47/47/567544747.db2.gz LJLLVLMVLOITAQ-UHFFFAOYSA-N 0 1 386.202 3.234 20 0 GGADMN CCOCc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000438771412 567545161 /nfs/dbraw/zinc/54/51/61/567545161.db2.gz BMQSUHNDPWRJTC-UHFFFAOYSA-N 0 1 382.825 3.112 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cs1 ZINC000438790149 567545516 /nfs/dbraw/zinc/54/55/16/567545516.db2.gz KEDGEXHLNWGANW-UHFFFAOYSA-N 0 1 380.472 3.459 20 0 GGADMN CC(C)c1ncc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)s1 ZINC000479583922 567546808 /nfs/dbraw/zinc/54/68/08/567546808.db2.gz OAPULIFYKXQQIK-UHFFFAOYSA-N 0 1 383.514 3.235 20 0 GGADMN Cc1cc2cc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)ccc2[nH]1 ZINC000438797513 567546863 /nfs/dbraw/zinc/54/68/63/567546863.db2.gz POQHSHBKMGQABV-UHFFFAOYSA-N 0 1 377.809 3.365 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000571217538 567546932 /nfs/dbraw/zinc/54/69/32/567546932.db2.gz KDNYBXUIUQSNNO-ZDUSSCGKSA-N 0 1 397.294 3.496 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000571217538 567546933 /nfs/dbraw/zinc/54/69/33/567546933.db2.gz KDNYBXUIUQSNNO-ZDUSSCGKSA-N 0 1 397.294 3.496 20 0 GGADMN C[C@@H](CNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000663998993 567547197 /nfs/dbraw/zinc/54/71/97/567547197.db2.gz PLAVMTOMAQBDTR-SUMWQHHRSA-N 0 1 396.329 3.015 20 0 GGADMN C[C@@H](CNC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000663998991 567547365 /nfs/dbraw/zinc/54/73/65/567547365.db2.gz PLAVMTOMAQBDTR-GUYCJALGSA-N 0 1 396.329 3.015 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C)c1 ZINC000438817716 567547984 /nfs/dbraw/zinc/54/79/84/567547984.db2.gz ZXUYRSDCLJPOOY-UHFFFAOYSA-N 0 1 382.825 3.282 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2)c(Br)c1 ZINC000438808062 567548189 /nfs/dbraw/zinc/54/81/89/567548189.db2.gz IPXNTGBDMOVDLA-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CC(C)COC[C@H](O)CN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000438815820 567548197 /nfs/dbraw/zinc/54/81/97/567548197.db2.gz XIZDVQIYTIAHDN-QFBILLFUSA-N 0 1 399.373 3.161 20 0 GGADMN Cc1nc2sccn2c(=O)c1CCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000551990405 567548270 /nfs/dbraw/zinc/54/82/70/567548270.db2.gz VXCVVIBWEQEQIU-AWEZNQCLSA-N 0 1 398.315 3.237 20 0 GGADMN CCCCNC(=O)CCN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000438820760 567549077 /nfs/dbraw/zinc/54/90/77/567549077.db2.gz QSCJMIHNTAYTTE-INIZCTEOSA-N 0 1 396.373 3.434 20 0 GGADMN COC(C)(C)C[C@@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458469614 567549268 /nfs/dbraw/zinc/54/92/68/567549268.db2.gz XMEKTJOFXGAYHX-SNVBAGLBSA-N 0 1 383.290 3.328 20 0 GGADMN CO[C@@]1(C(F)(F)F)CCCN(C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000664043685 567550002 /nfs/dbraw/zinc/55/00/02/567550002.db2.gz SKUQFNOTHMIPNN-CJNGLKHVSA-N 0 1 379.444 3.192 20 0 GGADMN CC(C)C[C@@H](CCO)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458493420 567550335 /nfs/dbraw/zinc/55/03/35/567550335.db2.gz SXWNSHBLZJWLFI-GFCCVEGCSA-N 0 1 397.317 3.169 20 0 GGADMN COc1cc(C)c(Br)cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000504887183 567550415 /nfs/dbraw/zinc/55/04/15/567550415.db2.gz IAGDWVCKQUTFHY-UHFFFAOYSA-N 0 1 381.314 3.467 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN(Cc1ccccn1)C1CC1 ZINC000438853099 567550515 /nfs/dbraw/zinc/55/05/15/567550515.db2.gz OHEOBQAUEHTTKD-KRWDZBQOSA-N 0 1 395.272 3.388 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000552017552 567550670 /nfs/dbraw/zinc/55/06/70/567550670.db2.gz MLOCEODJCLPBCE-UHFFFAOYSA-N 0 1 381.500 3.414 20 0 GGADMN COc1ccccc1CN(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438839260 567550975 /nfs/dbraw/zinc/55/09/75/567550975.db2.gz UUNDCMFCDHVMHW-MRXNPFEDSA-N 0 1 398.272 3.469 20 0 GGADMN COCCC1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000458538340 567551481 /nfs/dbraw/zinc/55/14/81/567551481.db2.gz FRDXXBCYOHDVJE-UHFFFAOYSA-N 0 1 395.301 3.331 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)n1 ZINC000504909278 567551778 /nfs/dbraw/zinc/55/17/78/567551778.db2.gz PLRRZUGRHSAIEJ-UHFFFAOYSA-N 0 1 377.754 3.072 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1F)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644430165 567551867 /nfs/dbraw/zinc/55/18/67/567551867.db2.gz NXGBBJBYCNPJJI-PKPZWWHKSA-N 0 1 376.259 3.242 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(I)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000595279110 567551950 /nfs/dbraw/zinc/55/19/50/567551950.db2.gz IZAKHRVGEYKAOE-SKDRFNHKSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(I)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000595279110 567551953 /nfs/dbraw/zinc/55/19/53/567551953.db2.gz IZAKHRVGEYKAOE-SKDRFNHKSA-N 0 1 393.652 3.487 20 0 GGADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2cccc(Br)c2C1 ZINC000438880241 567552004 /nfs/dbraw/zinc/55/20/04/567552004.db2.gz UAZRDTPSWTXRLI-SFHVURJKSA-N 0 1 398.304 3.385 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000644428623 567552099 /nfs/dbraw/zinc/55/20/99/567552099.db2.gz YYIQIPNWEDAGJB-OTYXRUKQSA-N 0 1 398.219 3.402 20 0 GGADMN COC(=O)c1oc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cc1C ZINC000595312266 567552659 /nfs/dbraw/zinc/55/26/59/567552659.db2.gz IXSUVTBFMSOWQU-MNOVXSKESA-N 0 1 383.388 3.022 20 0 GGADMN O=C1COc2ccc(CN[C@@H](c3cncc(Br)c3)C3CC3)cc2N1 ZINC000552037832 567553029 /nfs/dbraw/zinc/55/30/29/567553029.db2.gz RTBSFTIDBXPTOM-GOSISDBHSA-N 0 1 388.265 3.416 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000438910132 567553159 /nfs/dbraw/zinc/55/31/59/567553159.db2.gz GFCYUVGUVKTUDK-GUYCJALGSA-N 0 1 393.325 3.401 20 0 GGADMN Cc1cc(Br)cn2cc(CNC(=O)Cc3[nH]nc4ccccc43)nc12 ZINC000504926054 567553136 /nfs/dbraw/zinc/55/31/36/567553136.db2.gz WRIOMCHUPBMKBA-UHFFFAOYSA-N 0 1 398.264 3.140 20 0 GGADMN C[C@H](Cc1ccccc1Br)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458556100 567553688 /nfs/dbraw/zinc/55/36/88/567553688.db2.gz ZXXCOBKHAFWVBI-LLVKDONJSA-N 0 1 394.317 3.295 20 0 GGADMN Cn1c(=O)[nH]nc1SCc1ccc(I)cc1Cl ZINC000479699102 567553851 /nfs/dbraw/zinc/55/38/51/567553851.db2.gz HAPOIJBXKIDVCM-UHFFFAOYSA-N 0 1 381.626 3.071 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000438910126 567553798 /nfs/dbraw/zinc/55/37/98/567553798.db2.gz GFCYUVGUVKTUDK-CXAGYDPISA-N 0 1 393.325 3.401 20 0 GGADMN CC(C)c1nc(CNC(=O)NCC(C)(C)c2ccccc2Br)n[nH]1 ZINC000458572204 567554225 /nfs/dbraw/zinc/55/42/25/567554225.db2.gz JKLYAKLOVOGFHB-UHFFFAOYSA-N 0 1 394.317 3.468 20 0 GGADMN CC1(N2CCOCC2)CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000529913156 567554261 /nfs/dbraw/zinc/55/42/61/567554261.db2.gz ZNXYKASVSLIGPL-UHFFFAOYSA-N 0 1 387.307 3.086 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(Br)cnc1OCC1CC1 ZINC000552064087 567554719 /nfs/dbraw/zinc/55/47/19/567554719.db2.gz XDBYLVWHFCVDDM-UHFFFAOYSA-N 0 1 388.225 3.157 20 0 GGADMN CCOc1cc(CNCc2cccc(NS(C)(=O)=O)c2)cc(Cl)c1O ZINC000552065102 567554863 /nfs/dbraw/zinc/55/48/63/567554863.db2.gz DXQIVSWCIKYFRS-UHFFFAOYSA-N 0 1 384.885 3.106 20 0 GGADMN CCN1CCN(CC(=O)Nc2cccc3cccc(Br)c32)CC1 ZINC000529941970 567556440 /nfs/dbraw/zinc/55/64/40/567556440.db2.gz WJFXVIHNUMHEOZ-UHFFFAOYSA-N 0 1 376.298 3.178 20 0 GGADMN CC(=O)c1ccc(OC[C@@H](O)CNCc2sccc2Br)cc1 ZINC000644532316 567557038 /nfs/dbraw/zinc/55/70/38/567557038.db2.gz NLEWWWHJNAUVHH-ZDUSSCGKSA-N 0 1 384.295 3.243 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)CCN1C ZINC000505076035 567557184 /nfs/dbraw/zinc/55/71/84/567557184.db2.gz LKVIABLDMRDQRK-CQSZACIVSA-N 0 1 375.257 3.068 20 0 GGADMN C[C@H]1C[C@H](C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CO1 ZINC000438954814 567557278 /nfs/dbraw/zinc/55/72/78/567557278.db2.gz DFQSNKWMGKGWQS-QWRGUYRKSA-N 0 1 384.454 3.052 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cncs1 ZINC000552090850 567557694 /nfs/dbraw/zinc/55/76/94/567557694.db2.gz VSJUMNXDQZTEEM-SECBINFHSA-N 0 1 380.322 3.079 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CO1 ZINC000438954812 567557846 /nfs/dbraw/zinc/55/78/46/567557846.db2.gz DFQSNKWMGKGWQS-GHMZBOCLSA-N 0 1 384.454 3.052 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000644544433 567557971 /nfs/dbraw/zinc/55/79/71/567557971.db2.gz CYQPGUGVHFKWIG-GFCCVEGCSA-N 0 1 380.275 3.410 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCc2cc(Br)ccc2C1 ZINC000505086972 567558298 /nfs/dbraw/zinc/55/82/98/567558298.db2.gz YYHZVHHLEGWMAR-UHFFFAOYSA-N 0 1 375.201 3.058 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000458622479 567558646 /nfs/dbraw/zinc/55/86/46/567558646.db2.gz YYUKWLDOQKIGKS-UHFFFAOYSA-N 0 1 393.384 3.270 20 0 GGADMN CCc1nc(CNC(=O)NCCSCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000458622296 567558744 /nfs/dbraw/zinc/55/87/44/567558744.db2.gz PTAHYNRRYGMYMK-UHFFFAOYSA-N 0 1 388.324 3.407 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n(-c2ccc(C)nn2)n1 ZINC000438983217 567559365 /nfs/dbraw/zinc/55/93/65/567559365.db2.gz HOEYRUSDAJXZER-UHFFFAOYSA-N 0 1 398.275 3.387 20 0 GGADMN C[C@H](C[S@@](C)=O)NC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458632777 567559922 /nfs/dbraw/zinc/55/99/22/567559922.db2.gz BRGZNNGIJJUQOU-NEKPFDEYSA-N 0 1 382.917 3.220 20 0 GGADMN C[C@H]1CC[C@@H](N(CCO)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000438994733 567560119 /nfs/dbraw/zinc/56/01/19/567560119.db2.gz CJHYPLYQMHFDNG-CMPLNLGQSA-N 0 1 391.256 3.149 20 0 GGADMN O=S(=O)([C@H]1CCN(Cc2ccccc2)C1)N(CCC(F)(F)F)C1CC1 ZINC000552116564 567560537 /nfs/dbraw/zinc/56/05/37/567560537.db2.gz AVQCXTYNZGQQPK-INIZCTEOSA-N 0 1 376.444 3.008 20 0 GGADMN C[C@@H]1CC[C@@H](N(CCO)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000438994736 567560563 /nfs/dbraw/zinc/56/05/63/567560563.db2.gz CJHYPLYQMHFDNG-ZYHUDNBSSA-N 0 1 391.256 3.149 20 0 GGADMN C[C@H](N[C@@H](C)c1cncc(Br)c1)C(=O)NCCc1ccccc1 ZINC000571419356 567560835 /nfs/dbraw/zinc/56/08/35/567560835.db2.gz WTFKDOHUEYNOHY-KBPBESRZSA-N 0 1 376.298 3.242 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCCc1ccccc1)c1cncc(Br)c1 ZINC000571419357 567561001 /nfs/dbraw/zinc/56/10/01/567561001.db2.gz WTFKDOHUEYNOHY-KGLIPLIRSA-N 0 1 376.298 3.242 20 0 GGADMN CS[C@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000458648233 567561442 /nfs/dbraw/zinc/56/14/42/567561442.db2.gz OOKLSSNYYAGRFX-GJZGRUSLSA-N 0 1 375.460 3.455 20 0 GGADMN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cscc2C)c1 ZINC000439037783 567561507 /nfs/dbraw/zinc/56/15/07/567561507.db2.gz ATDPSNJMPJFIRI-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN C[C@H](c1ncc(Br)cn1)N1CCN(CCc2ccccc2)CC1 ZINC000439016199 567561524 /nfs/dbraw/zinc/56/15/24/567561524.db2.gz WYRONSSFNDQGJU-OAHLLOKOSA-N 0 1 375.314 3.160 20 0 GGADMN CCc1nc(CNC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)n[nH]1 ZINC000458658861 567561651 /nfs/dbraw/zinc/56/16/51/567561651.db2.gz GCCVNCOLHCOBCE-LBPRGKRZSA-N 0 1 384.253 3.219 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC(c3ccc(Br)cc3)CC2)[nH]1 ZINC000505163100 567562614 /nfs/dbraw/zinc/56/26/14/567562614.db2.gz YDDCLSCEKVVITE-UHFFFAOYSA-N 0 1 395.326 3.374 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000505163100 567562619 /nfs/dbraw/zinc/56/26/19/567562619.db2.gz YDDCLSCEKVVITE-UHFFFAOYSA-N 0 1 395.326 3.374 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)c1cccs1 ZINC000505164467 567562791 /nfs/dbraw/zinc/56/27/91/567562791.db2.gz OQWUKDNPSSYWOM-ZDUSSCGKSA-N 0 1 393.310 3.191 20 0 GGADMN CC[C@@H]1C[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)CC(=O)N1 ZINC000530033696 567563171 /nfs/dbraw/zinc/56/31/71/567563171.db2.gz QJRCPLUJCGAOST-XJKCOSOUSA-N 0 1 386.323 3.017 20 0 GGADMN COc1cc2nccc(N3CC[C@@H]4NC(=O)CC[C@@H]4C3)c2cc1Br ZINC000664338484 567563704 /nfs/dbraw/zinc/56/37/04/567563704.db2.gz SKWSGLIHPUDJNQ-RISCZKNCSA-N 0 1 390.281 3.111 20 0 GGADMN Cc1ccc(Br)cc1CNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000439049799 567563720 /nfs/dbraw/zinc/56/37/20/567563720.db2.gz JESVEKHNXGCRQX-GJZGRUSLSA-N 0 1 398.345 3.056 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000505167280 567564236 /nfs/dbraw/zinc/56/42/36/567564236.db2.gz HRTYSOLYAFAYNI-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN Cc1sc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1Br ZINC000644607740 567565238 /nfs/dbraw/zinc/56/52/38/567565238.db2.gz XOQWARFWORZBNW-CYBMUJFWSA-N 0 1 387.343 3.146 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000595477713 567566604 /nfs/dbraw/zinc/56/66/04/567566604.db2.gz TVZBJMUFNNXJQZ-OAHLLOKOSA-N 0 1 393.285 3.389 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)c3cc4c(cc(Cl)cc4Cl)[nH]3)CCO2)n[nH]1 ZINC000479899386 567566859 /nfs/dbraw/zinc/56/68/59/567566859.db2.gz 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567570013 /nfs/dbraw/zinc/57/00/13/567570013.db2.gz YQAWBQNOGGZMDX-ZDUSSCGKSA-N 0 1 397.313 3.021 20 0 GGADMN COc1cccc(OC(F)(F)F)c1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000552242875 567570265 /nfs/dbraw/zinc/57/02/65/567570265.db2.gz HHFWGDTUELIIJC-RYUDHWBXSA-N 0 1 381.416 3.039 20 0 GGADMN COCC[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000571546011 567570802 /nfs/dbraw/zinc/57/08/02/567570802.db2.gz OWRBHIVSXMHLDP-AWEZNQCLSA-N 0 1 390.311 3.285 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc2c(cc1Br)OCO2)c1cccs1 ZINC000621266239 567571161 /nfs/dbraw/zinc/57/11/61/567571161.db2.gz DJKURYSFOSEZLA-GFCCVEGCSA-N 0 1 397.294 3.272 20 0 GGADMN COC(=O)c1nc(NS(=O)(=O)c2ccc(OC)cc2C)sc1C(C)C ZINC000571559731 567571766 /nfs/dbraw/zinc/57/17/66/567571766.db2.gz VLFRZRPGGCOENW-UHFFFAOYSA-N 0 1 384.479 3.171 20 0 GGADMN CCC[C@H](CNC(=O)CN1C[C@H]2[C@H](CO)[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000644714224 567571882 /nfs/dbraw/zinc/57/18/82/567571882.db2.gz NLUCJALNIJMAOX-VZEFYGNVSA-N 0 1 385.335 3.163 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)CCC(F)(F)F)c2cccs2)CC1 ZINC000439208962 567571831 /nfs/dbraw/zinc/57/18/31/567571831.db2.gz IXXCGVPDZUIODJ-ZDUSSCGKSA-N 0 1 384.489 3.393 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)CCC(F)(F)F)c2cccs2)CC1 ZINC000439208959 567572034 /nfs/dbraw/zinc/57/20/34/567572034.db2.gz IXXCGVPDZUIODJ-CYBMUJFWSA-N 0 1 384.489 3.393 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000439215060 567572508 /nfs/dbraw/zinc/57/25/08/567572508.db2.gz MASUBKOUKWGYSR-LLVKDONJSA-N 0 1 384.851 3.464 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000458761960 567572525 /nfs/dbraw/zinc/57/25/25/567572525.db2.gz MIJNUAMKPBTCKZ-CXAGYDPISA-N 0 1 395.345 3.421 20 0 GGADMN CCN1C[C@H](C)N(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@H]1C ZINC000505379334 567572906 /nfs/dbraw/zinc/57/29/06/567572906.db2.gz JLAVFCDMLPXBTE-IGCXYCKISA-N 0 1 395.345 3.419 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000479975371 567573108 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C[C@@H](CN(C)Cc1ccccc1S(N)(=O)=O)c1cccc(Br)c1 ZINC000552313057 567576873 /nfs/dbraw/zinc/57/68/73/567576873.db2.gz JCFLQZJCVIVRCS-ZDUSSCGKSA-N 0 1 397.338 3.332 20 0 GGADMN CCc1noc(C)c1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458820541 567577052 /nfs/dbraw/zinc/57/70/52/567577052.db2.gz SDAZGHAWNHHLKK-UHFFFAOYSA-N 0 1 392.257 3.184 20 0 GGADMN COC(=O)c1cnoc1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000505462221 567577223 /nfs/dbraw/zinc/57/72/23/567577223.db2.gz PQFNYNPDRWXIBU-UHFFFAOYSA-N 0 1 380.813 3.201 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(Br)s3)n2)cc1 ZINC000505479709 567578358 /nfs/dbraw/zinc/57/83/58/567578358.db2.gz IONCAHCDNQTJLB-UHFFFAOYSA-N 0 1 393.266 3.234 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3ccc(Br)s3)n[nH]2)cc1 ZINC000505479709 567578362 /nfs/dbraw/zinc/57/83/62/567578362.db2.gz IONCAHCDNQTJLB-UHFFFAOYSA-N 0 1 393.266 3.234 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1N ZINC000439258223 567578317 /nfs/dbraw/zinc/57/83/17/567578317.db2.gz MXCZJMFTIUCZDQ-UHFFFAOYSA-N 0 1 375.233 3.163 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)n[nH]1 ZINC000458845307 567578314 /nfs/dbraw/zinc/57/83/14/567578314.db2.gz IYWVDCZDEIVXSO-IUCAKERBSA-N 0 1 384.253 3.390 20 0 GGADMN O=C(CNC[C@@H]1CCCO1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000571639280 567578596 /nfs/dbraw/zinc/57/85/96/567578596.db2.gz MKTWZXUTIJRIJH-LBPRGKRZSA-N 0 1 396.310 3.280 20 0 GGADMN CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCN1CCCOCC1 ZINC000458855306 567578501 /nfs/dbraw/zinc/57/85/01/567578501.db2.gz ZBYWFGULDAIHOT-UHFFFAOYSA-N 0 1 398.345 3.091 20 0 GGADMN CC[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000552339806 567579330 /nfs/dbraw/zinc/57/93/30/567579330.db2.gz DMZCHBRCYDZPPU-XJKSGUPXSA-N 0 1 389.359 3.304 20 0 GGADMN O=C(c1ncc(Br)s1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644805389 567579312 /nfs/dbraw/zinc/57/93/12/567579312.db2.gz JBYWPNYEBWXJJK-UONOGXRCSA-N 0 1 392.322 3.252 20 0 GGADMN Cc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000552339822 567579428 /nfs/dbraw/zinc/57/94/28/567579428.db2.gz DYZBZKWVCMDQAO-LLVKDONJSA-N 0 1 387.958 3.351 20 0 GGADMN O=C([O-])c1ccc(F)c2c1C[N@@H+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000530169754 567579515 /nfs/dbraw/zinc/57/95/15/567579515.db2.gz UIPBATDEVDQCGS-QGZVFWFLSA-N 0 1 394.240 3.378 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000530170772 567579945 /nfs/dbraw/zinc/57/99/45/567579945.db2.gz MTBNIUUTYWPVHY-MRXNPFEDSA-N 0 1 397.294 3.248 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000530170772 567579950 /nfs/dbraw/zinc/57/99/50/567579950.db2.gz MTBNIUUTYWPVHY-MRXNPFEDSA-N 0 1 397.294 3.248 20 0 GGADMN CCC[C@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1nn[nH]n1 ZINC000552341612 567580100 /nfs/dbraw/zinc/58/01/00/567580100.db2.gz PHPFWRCXJQLCBU-VIFPVBQESA-N 0 1 376.617 3.026 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000530178968 567580285 /nfs/dbraw/zinc/58/02/85/567580285.db2.gz JSJSLYFNWVDXSW-RNJOBUHISA-N 0 1 376.280 3.307 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595748308 567580700 /nfs/dbraw/zinc/58/07/00/567580700.db2.gz ISRXNOSTERMDSX-CQSZACIVSA-N 0 1 386.279 3.367 20 0 GGADMN CCc1nc(CNC(=O)N2CCC(c3cccc(Br)c3)CC2)n[nH]1 ZINC000458868624 567580800 /nfs/dbraw/zinc/58/08/00/567580800.db2.gz GAOQIBAYDPBUQR-UHFFFAOYSA-N 0 1 392.301 3.219 20 0 GGADMN C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000439344719 567581460 /nfs/dbraw/zinc/58/14/60/567581460.db2.gz FOXRFCUMJGHLEB-VIFPVBQESA-N 0 1 378.687 3.138 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000439344719 567581463 /nfs/dbraw/zinc/58/14/63/567581463.db2.gz FOXRFCUMJGHLEB-VIFPVBQESA-N 0 1 378.687 3.138 20 0 GGADMN NC(=O)NC(=O)CCCN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000595766227 567581851 /nfs/dbraw/zinc/58/18/51/567581851.db2.gz CHTMARGRBSYGOA-KRWDZBQOSA-N 0 1 377.897 3.324 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439343933 567581706 /nfs/dbraw/zinc/58/17/06/567581706.db2.gz FFAHFZYBGICZSL-CYBMUJFWSA-N 0 1 383.945 3.332 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C)CC[C@H]1C ZINC000439343933 567581714 /nfs/dbraw/zinc/58/17/14/567581714.db2.gz FFAHFZYBGICZSL-CYBMUJFWSA-N 0 1 383.945 3.332 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)n[nH]1 ZINC000458876380 567582318 /nfs/dbraw/zinc/58/23/18/567582318.db2.gz RMIFDWMTDQYWPV-CQSZACIVSA-N 0 1 392.301 3.485 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1O ZINC000644838570 567582594 /nfs/dbraw/zinc/58/25/94/567582594.db2.gz RISXCQCMRSWFRQ-NOZJJQNGSA-N 0 1 384.192 3.099 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](C)c2ccc(F)c(Br)c2)n[nH]1 ZINC000458878185 567582529 /nfs/dbraw/zinc/58/25/29/567582529.db2.gz JBVFMSVOIDZNNO-SECBINFHSA-N 0 1 384.253 3.390 20 0 GGADMN CCc1nc(CNC(=O)N(Cc2cccc(Br)c2)CC2CC2)n[nH]1 ZINC000458874055 567582554 /nfs/dbraw/zinc/58/25/54/567582554.db2.gz OFRJZTSUTWLJJF-UHFFFAOYSA-N 0 1 392.301 3.251 20 0 GGADMN O=C(N=c1ncn(Cc2ccc(Cl)cc2)[nH]1)c1ccc(Br)cc1 ZINC000480136478 567582918 /nfs/dbraw/zinc/58/29/18/567582918.db2.gz OPUOFEKWXJQKQM-UHFFFAOYSA-N 0 1 391.656 3.417 20 0 GGADMN CC(C)OCCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480151350 567583179 /nfs/dbraw/zinc/58/31/79/567583179.db2.gz UCEKXPBCEMINRV-AWEZNQCLSA-N 0 1 376.316 3.072 20 0 GGADMN CCc1nc(CNC(=O)N(C)[C@H](CC)Cc2ccccc2Br)n[nH]1 ZINC000458880553 567583551 /nfs/dbraw/zinc/58/35/51/567583551.db2.gz XFLRHNPBQWLFHD-CYBMUJFWSA-N 0 1 394.317 3.292 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCOc1ccc(Br)cc1 ZINC000439386705 567584047 /nfs/dbraw/zinc/58/40/47/567584047.db2.gz NSHVNXRJZMELEF-CVEARBPZSA-N 0 1 396.329 3.096 20 0 GGADMN O=S1(=O)CC[C@@H](NCCOc2ccccc2)c2cc(Br)ccc21 ZINC000480176579 567584240 /nfs/dbraw/zinc/58/42/40/567584240.db2.gz YFEPZBPTUYXMDS-MRXNPFEDSA-N 0 1 396.306 3.336 20 0 GGADMN Cc1cnc([C@H](C)NC[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000439426740 567584824 /nfs/dbraw/zinc/58/48/24/567584824.db2.gz BVUJKNBJFRDAAB-GWCFXTLKSA-N 0 1 389.290 3.444 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccc(Br)c(F)c1F)C1CCOCC1 ZINC000530215406 567584715 /nfs/dbraw/zinc/58/47/15/567584715.db2.gz WUQOSUJXRFOBJP-UHFFFAOYSA-N 0 1 378.213 3.183 20 0 GGADMN Fc1cc(Br)ccc1[C@@H](NC[C@@H]1COCCN1)c1ccccc1 ZINC000530223929 567585523 /nfs/dbraw/zinc/58/55/23/567585523.db2.gz JBIDKUDRTVDNLQ-QAPCUYQASA-N 0 1 379.273 3.256 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CCN1C ZINC000552389389 567585964 /nfs/dbraw/zinc/58/59/64/567585964.db2.gz YCFLXLXWPPCHMG-HUUCEWRRSA-N 0 1 395.341 3.048 20 0 GGADMN COc1cc2nccc(N[C@@H](C)CO[C@H]3CCOC3)c2cc1Br ZINC000644872118 567586654 /nfs/dbraw/zinc/58/66/54/567586654.db2.gz KAWYRSCLCDBDMT-RYUDHWBXSA-N 0 1 381.270 3.034 20 0 GGADMN Cc1cccc(CN(C)C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000439445916 567586926 /nfs/dbraw/zinc/58/69/26/567586926.db2.gz YYBACTZDMQQOHW-INIZCTEOSA-N 0 1 383.261 3.163 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000458918467 567587015 /nfs/dbraw/zinc/58/70/15/567587015.db2.gz ALLVAJLVHVHCII-CYBMUJFWSA-N 0 1 392.301 3.390 20 0 GGADMN CCC(CC)(CO)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480200217 567587192 /nfs/dbraw/zinc/58/71/92/567587192.db2.gz WJCVLYWADYMGIQ-CQSZACIVSA-N 0 1 390.343 3.056 20 0 GGADMN CCCC[C@@H](COC)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480200564 567587289 /nfs/dbraw/zinc/58/72/89/567587289.db2.gz UTPKUVJOROCONH-ZFWWWQNUSA-N 0 1 390.343 3.462 20 0 GGADMN CC(C)c1nc(CNC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)n[nH]1 ZINC000458921490 567587393 /nfs/dbraw/zinc/58/73/93/567587393.db2.gz IMLRHHBKAVQWLJ-LLVKDONJSA-N 0 1 392.301 3.347 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000458918588 567587457 /nfs/dbraw/zinc/58/74/57/567587457.db2.gz BRDWKBQXGMZSOI-GFCCVEGCSA-N 0 1 396.264 3.316 20 0 GGADMN CN(CCN(C)C1CC1)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000505612782 567587558 /nfs/dbraw/zinc/58/75/58/567587558.db2.gz WRSIWEWBHRBCQR-UHFFFAOYSA-N 0 1 381.314 3.355 20 0 GGADMN COCC[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000552395296 567587763 /nfs/dbraw/zinc/58/77/63/567587763.db2.gz DLBJEULKRKURMA-SUMWQHHRSA-N 0 1 389.323 3.156 20 0 GGADMN C[C@H](c1ccccn1)N(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439441688 567587712 /nfs/dbraw/zinc/58/77/12/567587712.db2.gz SXZOHEIBPQISPL-IUODEOHRSA-N 0 1 383.261 3.416 20 0 GGADMN CC(C)c1nc(CNC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)n[nH]1 ZINC000458921491 567587775 /nfs/dbraw/zinc/58/77/75/567587775.db2.gz IMLRHHBKAVQWLJ-NSHDSACASA-N 0 1 392.301 3.347 20 0 GGADMN CCOC(=O)CC1(NCc2cn3cc(Cl)cc(Cl)c3n2)CCOCC1 ZINC000595873832 567587942 /nfs/dbraw/zinc/58/79/42/567587942.db2.gz GQOAHIIKNKMZKO-UHFFFAOYSA-N 0 1 386.279 3.233 20 0 GGADMN O=C(c1ccc(CNCc2ccccc2Br)cc1)N1CCOCC1 ZINC000644898863 567588041 /nfs/dbraw/zinc/58/80/41/567588041.db2.gz VVCLOEAUCFYMAX-UHFFFAOYSA-N 0 1 389.293 3.211 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2F)cc(Cl)c1F ZINC000480211958 567588399 /nfs/dbraw/zinc/58/83/99/567588399.db2.gz ZAPZMGDPNQHAHY-UHFFFAOYSA-N 0 1 391.779 3.214 20 0 GGADMN C[C@H](O)CC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480216381 567588525 /nfs/dbraw/zinc/58/85/25/567588525.db2.gz VGJNNMHTFAPKBE-SMDDNHRTSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c(=O)[nH]1 ZINC000480205553 567588702 /nfs/dbraw/zinc/58/87/02/567588702.db2.gz WNRYWFSPQCDYJM-UHFFFAOYSA-N 0 1 395.637 3.451 20 0 GGADMN O=C(CCCc1cccc(Br)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000644883806 567588909 /nfs/dbraw/zinc/58/89/09/567588909.db2.gz DIVUNNYRFPVVHJ-CYBMUJFWSA-N 0 1 394.269 3.267 20 0 GGADMN CCOC(=O)c1ccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000552423169 567588965 /nfs/dbraw/zinc/58/89/65/567588965.db2.gz VEPZSKFBLSVLPW-UHFFFAOYSA-N 0 1 385.869 3.063 20 0 GGADMN C[C@H](O)CC(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480216379 567589224 /nfs/dbraw/zinc/58/92/24/567589224.db2.gz VGJNNMHTFAPKBE-FZMZJTMJSA-N 0 1 390.343 3.054 20 0 GGADMN O=C(Nc1cccc2c1CCO2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000530305733 567590823 /nfs/dbraw/zinc/59/08/23/567590823.db2.gz FAQRRRRNJMAALL-UHFFFAOYSA-N 0 1 385.217 3.478 20 0 GGADMN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000552448037 567591376 /nfs/dbraw/zinc/59/13/76/567591376.db2.gz MLBUOELTAJNZJY-OAHLLOKOSA-N 0 1 397.313 3.020 20 0 GGADMN CCC(CC)[C@H](O)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480245384 567591693 /nfs/dbraw/zinc/59/16/93/567591693.db2.gz ZRLMVIMQOFVBOX-HUUCEWRRSA-N 0 1 390.343 3.054 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCc2cc(Br)cc(F)c2C1 ZINC000530317423 567592064 /nfs/dbraw/zinc/59/20/64/567592064.db2.gz PQHYSRKELVGIHL-UHFFFAOYSA-N 0 1 375.201 3.058 20 0 GGADMN CCC(CC)[C@H](O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480245388 567591976 /nfs/dbraw/zinc/59/19/76/567591976.db2.gz ZRLMVIMQOFVBOX-LSDHHAIUSA-N 0 1 390.343 3.054 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1C ZINC000439569625 567593065 /nfs/dbraw/zinc/59/30/65/567593065.db2.gz KTABGNNQKUVBPQ-UHFFFAOYSA-N 0 1 396.774 3.285 20 0 GGADMN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439570814 567593180 /nfs/dbraw/zinc/59/31/80/567593180.db2.gz NXCFEXXECIXYLH-UHFFFAOYSA-N 0 1 375.475 3.235 20 0 GGADMN CNC(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1Cl ZINC000439568940 567593523 /nfs/dbraw/zinc/59/35/23/567593523.db2.gz ZPUDCRPRXPCKGD-UHFFFAOYSA-N 0 1 381.866 3.110 20 0 GGADMN COc1cc(NS(=O)(=O)c2cnc3ccsc3c2)cc(OC)c1OC ZINC000439573697 567594696 /nfs/dbraw/zinc/59/46/96/567594696.db2.gz UCQNGDRGUVRCQE-UHFFFAOYSA-N 0 1 380.447 3.123 20 0 GGADMN COc1ccccc1[C@]1(C)C[C@@H]1N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000439604591 567594751 /nfs/dbraw/zinc/59/47/51/567594751.db2.gz RKUATIRNJFRAHN-SCTDSRPQSA-N 0 1 389.293 3.304 20 0 GGADMN Cc1cc(Br)cn2cc(CCNCc3cn(C(C)(C)C)nn3)nc12 ZINC000480286123 567594930 /nfs/dbraw/zinc/59/49/30/567594930.db2.gz ARMQLANDLNDTCL-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN COc1ccccc1[C@]1(C)C[C@H]1N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000439604589 567594995 /nfs/dbraw/zinc/59/49/95/567594995.db2.gz RKUATIRNJFRAHN-LMMKCTJWSA-N 0 1 389.293 3.304 20 0 GGADMN CC(C)COCCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480326521 567596947 /nfs/dbraw/zinc/59/69/47/567596947.db2.gz LDWNGCJFHXACMR-OAHLLOKOSA-N 0 1 390.343 3.320 20 0 GGADMN CCn1ccnc1[C@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459057233 567597262 /nfs/dbraw/zinc/59/72/62/567597262.db2.gz KVJXXEFFWUQVNG-JTQLQIEISA-N 0 1 391.273 3.102 20 0 GGADMN COc1cc2nccc(N[C@H]3CCO[C@]4(CCOC4)C3)c2cc1Br ZINC000571910821 567597743 /nfs/dbraw/zinc/59/77/43/567597743.db2.gz BLDALCGWKGFNGQ-KPZWWZAWSA-N 0 1 393.281 3.178 20 0 GGADMN COc1cc2nccc(N[C@H]3CCO[C@@]4(CCOC4)C3)c2cc1Br ZINC000571910826 567597751 /nfs/dbraw/zinc/59/77/51/567597751.db2.gz BLDALCGWKGFNGQ-SGTLLEGYSA-N 0 1 393.281 3.178 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)CCc1cccs1 ZINC000530380453 567598102 /nfs/dbraw/zinc/59/81/02/567598102.db2.gz BILOPTRYKDARIT-MJGOQNOKSA-N 0 1 376.547 3.237 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(F)cc1)Oc1cccc(Br)c1 ZINC000439652586 567598300 /nfs/dbraw/zinc/59/83/00/567598300.db2.gz UFBUNLVWYRNHCT-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000530413449 567599311 /nfs/dbraw/zinc/59/93/11/567599311.db2.gz IPGZEVKHEJGBOG-RDJZCZTQSA-N 0 1 379.291 3.499 20 0 GGADMN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)c1 ZINC000596025365 567599358 /nfs/dbraw/zinc/59/93/58/567599358.db2.gz FFENEXHCBGLOEL-UHFFFAOYSA-N 0 1 385.825 3.422 20 0 GGADMN CCC[C@@]1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCOC1 ZINC000459131708 567599709 /nfs/dbraw/zinc/59/97/09/567599709.db2.gz HABIKAWTJIZSLI-MRXNPFEDSA-N 0 1 381.274 3.084 20 0 GGADMN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000530412804 567599728 /nfs/dbraw/zinc/59/97/28/567599728.db2.gz JWYKINHGVNIGJA-GOEBONIOSA-N 0 1 379.291 3.499 20 0 GGADMN CCOC[C@@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459130792 567599949 /nfs/dbraw/zinc/59/99/49/567599949.db2.gz GKKPYUKGBANKIQ-LBPRGKRZSA-N 0 1 395.301 3.426 20 0 GGADMN CCOC1CC(N(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459125725 567600081 /nfs/dbraw/zinc/60/00/81/567600081.db2.gz AMYPGWMEPBLGHO-UHFFFAOYSA-N 0 1 381.274 3.034 20 0 GGADMN CC1(C)C[C@H](O)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459140943 567600623 /nfs/dbraw/zinc/60/06/23/567600623.db2.gz NVPREEHPCDZAPZ-LLVKDONJSA-N 0 1 395.301 3.018 20 0 GGADMN COc1nc(N2CCCN(Cc3ccc(F)cc3)CC2)ncc1Br ZINC000480396069 567600851 /nfs/dbraw/zinc/60/08/51/567600851.db2.gz OEJKOBOSEPCUPP-UHFFFAOYSA-N 0 1 395.276 3.099 20 0 GGADMN O=C(NCCOCC1CCCC1)NCc1nc2cccc(Br)c2[nH]1 ZINC000459138706 567601057 /nfs/dbraw/zinc/60/10/57/567601057.db2.gz LZXUWJSKMIKHDD-UHFFFAOYSA-N 0 1 395.301 3.331 20 0 GGADMN CN(CCc1nccs1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459138832 567601440 /nfs/dbraw/zinc/60/14/40/567601440.db2.gz ATZGIMSQPVBIPO-UHFFFAOYSA-N 0 1 394.298 3.166 20 0 GGADMN C[C@@H](Nc1cc(-n2cccn2)nc(N)n1)c1ccc(F)c(Br)c1 ZINC000645050211 567602007 /nfs/dbraw/zinc/60/20/07/567602007.db2.gz ZHFOVLRLPDXVAT-SECBINFHSA-N 0 1 377.221 3.150 20 0 GGADMN Cc1csc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000571963200 567602618 /nfs/dbraw/zinc/60/26/18/567602618.db2.gz WIQRLCDFMGGFIJ-GOEBONIOSA-N 0 1 382.892 3.218 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCCc2cccc(Br)c2)n[nH]1 ZINC000459148139 567602948 /nfs/dbraw/zinc/60/29/48/567602948.db2.gz KXDCZJNUGVSBJE-NSHDSACASA-N 0 1 380.290 3.294 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)c(Br)s1 ZINC000571979560 567603855 /nfs/dbraw/zinc/60/38/55/567603855.db2.gz LHZHNKUYMNGRQX-STQMWFEESA-N 0 1 380.311 3.042 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(CCO)C(C)C ZINC000506750077 567641263 /nfs/dbraw/zinc/64/12/63/567641263.db2.gz FYCSIAODMJLRNW-UHFFFAOYSA-N 0 1 381.108 3.423 20 0 GGADMN CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000664988443 567605456 /nfs/dbraw/zinc/60/54/56/567605456.db2.gz ADQCLGZXRLZSKZ-CQSZACIVSA-N 0 1 392.301 3.265 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CC[C@@H]2c2ccc(Br)cc2)n[nH]1 ZINC000664989211 567605570 /nfs/dbraw/zinc/60/55/70/567605570.db2.gz AZHNMFZSWMHFMH-CYBMUJFWSA-N 0 1 378.274 3.347 20 0 GGADMN C[C@@]1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC[C@@H]1O ZINC000459188793 567606306 /nfs/dbraw/zinc/60/63/06/567606306.db2.gz CPKRXQRYJNTLKV-GUYCJALGSA-N 0 1 395.301 3.066 20 0 GGADMN CCn1ncc(NC(=O)NC[C@@H](c2cccs2)N(C)C)c1C(F)(F)F ZINC000439916914 567606489 /nfs/dbraw/zinc/60/64/89/567606489.db2.gz RKZXJDCXOOJMTD-NSHDSACASA-N 0 1 375.420 3.408 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459191649 567607011 /nfs/dbraw/zinc/60/70/11/567607011.db2.gz DTTKTUMBVJOBKZ-JTQLQIEISA-N 0 1 383.315 3.362 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NCC1(O)CCCCCC1 ZINC000459198572 567607036 /nfs/dbraw/zinc/60/70/36/567607036.db2.gz HTERSWSDKSJSRT-UHFFFAOYSA-N 0 1 395.301 3.210 20 0 GGADMN CCn1ncc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c1C(F)(F)F ZINC000439913727 567607043 /nfs/dbraw/zinc/60/70/43/567607043.db2.gz MLHBPFVMUSUEMJ-LBPRGKRZSA-N 0 1 375.420 3.408 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCN(CC2CC2)CC1 ZINC000480481798 567607323 /nfs/dbraw/zinc/60/73/23/567607323.db2.gz OHIHRQJPRQUFRN-CYBMUJFWSA-N 0 1 383.305 3.321 20 0 GGADMN CN(C[C@H]1CCCC[C@H]1O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459198347 567607279 /nfs/dbraw/zinc/60/72/79/567607279.db2.gz HNZHHNPCEVNBGN-BXUZGUMPSA-N 0 1 395.301 3.018 20 0 GGADMN CO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H](C)C1 ZINC000459199758 567607449 /nfs/dbraw/zinc/60/74/49/567607449.db2.gz ICGPRGPKXPNRBP-MNOVXSKESA-N 0 1 381.274 3.034 20 0 GGADMN C[C@@H](CS(C)(=O)=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530492359 567607593 /nfs/dbraw/zinc/60/75/93/567607593.db2.gz VKHSOPZURWOSDG-GUYCJALGSA-N 0 1 397.338 3.151 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2ccc(F)cc2)c(OC)c1 ZINC000480483258 567607639 /nfs/dbraw/zinc/60/76/39/567607639.db2.gz OOYADCBSNNGUOB-AWEZNQCLSA-N 0 1 398.272 3.299 20 0 GGADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(Br)cs1 ZINC000506031949 567607777 /nfs/dbraw/zinc/60/77/77/567607777.db2.gz TWAMJRZJUMLWMX-SNVBAGLBSA-N 0 1 389.340 3.351 20 0 GGADMN C[C@@H]1CCSCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459203418 567607974 /nfs/dbraw/zinc/60/79/74/567607974.db2.gz JCILXSUMJPXJJA-SNVBAGLBSA-N 0 1 383.315 3.362 20 0 GGADMN O=C(CN1CCC(n2cc(Cl)cn2)CC1)NCCc1ccc(Cl)cc1 ZINC000506042086 567608185 /nfs/dbraw/zinc/60/81/85/567608185.db2.gz OHNDTROBXNFPFQ-UHFFFAOYSA-N 0 1 381.307 3.186 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000459210052 567608203 /nfs/dbraw/zinc/60/82/03/567608203.db2.gz LGAHRWIZMZDJTE-WDEREUQCSA-N 0 1 381.274 3.034 20 0 GGADMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(Br)cs1 ZINC000506031948 567608423 /nfs/dbraw/zinc/60/84/23/567608423.db2.gz TWAMJRZJUMLWMX-JTQLQIEISA-N 0 1 389.340 3.351 20 0 GGADMN CCc1cc(N2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000572042735 567608459 /nfs/dbraw/zinc/60/84/59/567608459.db2.gz ASFSFLAMFDJTHD-JKSUJKDBSA-N 0 1 390.281 3.415 20 0 GGADMN COC(=O)[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccsc1 ZINC000506037768 567608469 /nfs/dbraw/zinc/60/84/69/567608469.db2.gz IMRYALIZCITABY-GFCCVEGCSA-N 0 1 394.250 3.031 20 0 GGADMN CC(C)CO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459214713 567608538 /nfs/dbraw/zinc/60/85/38/567608538.db2.gz OAOFBWIFALMQNA-LBPRGKRZSA-N 0 1 395.301 3.282 20 0 GGADMN CCO[C@H]1C[C@@](O)(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1(C)C ZINC000530510346 567608585 /nfs/dbraw/zinc/60/85/85/567608585.db2.gz UDRHWFSTWPGZEU-YVEFUNNKSA-N 0 1 383.901 3.088 20 0 GGADMN CC[C@H]1CO[C@@H](C)CN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211293 567608732 /nfs/dbraw/zinc/60/87/32/567608732.db2.gz LWIOVHWTAAMHCE-QWRGUYRKSA-N 0 1 381.274 3.034 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480510125 567609063 /nfs/dbraw/zinc/60/90/63/567609063.db2.gz OXMGATUZWSSUMU-NSHDSACASA-N 0 1 384.307 3.392 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459256323 567609432 /nfs/dbraw/zinc/60/94/32/567609432.db2.gz ITYQCICUBHFOKR-UHFFFAOYSA-N 0 1 380.290 3.206 20 0 GGADMN CC(=O)[C@@H](NC(=O)CNC(C)(C)c1ccc(Br)c(C)c1)C(C)C ZINC000572050411 567609424 /nfs/dbraw/zinc/60/94/24/567609424.db2.gz GENBFMGIYOZACW-KRWDZBQOSA-N 0 1 383.330 3.312 20 0 GGADMN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)NCCN1CCCOCC1 ZINC000480523877 567609863 /nfs/dbraw/zinc/60/98/63/567609863.db2.gz DZACZZNQEIKTIG-UHFFFAOYSA-N 0 1 389.323 3.237 20 0 GGADMN O=S(=O)(NCCC[NH2+]Cc1cccc([O-])c1Cl)c1ccccc1Cl ZINC000645178115 567610018 /nfs/dbraw/zinc/61/00/18/567610018.db2.gz FFMUZGVKTILSMK-UHFFFAOYSA-N 0 1 389.304 3.157 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530534804 567610182 /nfs/dbraw/zinc/61/01/82/567610182.db2.gz FXLNRYSCQDFOSD-LBPRGKRZSA-N 0 1 377.235 3.105 20 0 GGADMN CC(=O)[C@H](NC(=O)CNC(C)(C)c1ccc(Br)c(C)c1)C(C)C ZINC000572050412 567610111 /nfs/dbraw/zinc/61/01/11/567610111.db2.gz GENBFMGIYOZACW-QGZVFWFLSA-N 0 1 383.330 3.312 20 0 GGADMN C[C@H](CC(F)(F)F)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459224703 567610240 /nfs/dbraw/zinc/61/02/40/567610240.db2.gz XBMWYXDKINZBSG-SSDOTTSWSA-N 0 1 379.180 3.466 20 0 GGADMN O=C(NCc1cc(Br)ccc1F)c1cn[nH]c1-c1ccccn1 ZINC000506120764 567610627 /nfs/dbraw/zinc/61/06/27/567610627.db2.gz DHXUHHRSRDKTNM-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc3cc(Br)cnc32)[nH]1 ZINC000552805666 567610726 /nfs/dbraw/zinc/61/07/26/567610726.db2.gz ANEFERMPAGXWBO-UHFFFAOYSA-N 0 1 378.255 3.155 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc3cc(Br)cnc32)n1 ZINC000552805666 567610729 /nfs/dbraw/zinc/61/07/29/567610729.db2.gz ANEFERMPAGXWBO-UHFFFAOYSA-N 0 1 378.255 3.155 20 0 GGADMN C[N@@H+]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H]1Cc1ccccc1 ZINC000552804728 567611010 /nfs/dbraw/zinc/61/10/10/567611010.db2.gz NARGAAKOFMEWJA-HNNXBMFYSA-N 0 1 389.293 3.154 20 0 GGADMN C[N@H+]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H]1Cc1ccccc1 ZINC000552804728 567611012 /nfs/dbraw/zinc/61/10/12/567611012.db2.gz NARGAAKOFMEWJA-HNNXBMFYSA-N 0 1 389.293 3.154 20 0 GGADMN CC(C)(NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000552801116 567611100 /nfs/dbraw/zinc/61/11/00/567611100.db2.gz VQVUPHSOEVXDLS-UHFFFAOYSA-N 0 1 396.228 3.051 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1ccccc1)c1ccc(F)c(Br)c1 ZINC000645196504 567611627 /nfs/dbraw/zinc/61/16/27/567611627.db2.gz NTBGTGDGCSUFQJ-CYBMUJFWSA-N 0 1 395.272 3.434 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2ccccc2I)n[nH]1 ZINC000459266515 567611875 /nfs/dbraw/zinc/61/18/75/567611875.db2.gz SCUZQUNJRNPNOR-UHFFFAOYSA-N 0 1 399.236 3.029 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000552824718 567612098 /nfs/dbraw/zinc/61/20/98/567612098.db2.gz KWXPZEFJAVTHBJ-CHWSQXEVSA-N 0 1 378.460 3.140 20 0 GGADMN Cc1cc(C)nc(SCC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000530589615 567613271 /nfs/dbraw/zinc/61/32/71/567613271.db2.gz ZOGGDOHAMYTRBM-INIZCTEOSA-N 0 1 378.929 3.258 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000621819347 567613619 /nfs/dbraw/zinc/61/36/19/567613619.db2.gz KEWAGXLBQJMBHI-UHFFFAOYSA-N 0 1 380.286 3.387 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000506170680 567613635 /nfs/dbraw/zinc/61/36/35/567613635.db2.gz PMIXZNWCSRUKGI-HNNXBMFYSA-N 0 1 388.339 3.192 20 0 GGADMN C[C@](N)(C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 ZINC000645261220 567614632 /nfs/dbraw/zinc/61/46/32/567614632.db2.gz VCVDMLZLPVWJEU-GOSISDBHSA-N 0 1 391.265 3.423 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(Br)c1 ZINC000440076520 567615322 /nfs/dbraw/zinc/61/53/22/567615322.db2.gz JDXZPVIFVMBUGV-KBPBESRZSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)c(Br)c1 ZINC000440076522 567615339 /nfs/dbraw/zinc/61/53/39/567615339.db2.gz JDXZPVIFVMBUGV-UONOGXRCSA-N 0 1 389.359 3.156 20 0 GGADMN CC(C)CN1C[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)CC1=O ZINC000530656275 567616027 /nfs/dbraw/zinc/61/60/27/567616027.db2.gz BVMQSVHVRQZWGK-SECBINFHSA-N 0 1 389.677 3.251 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000440075860 567615407 /nfs/dbraw/zinc/61/54/07/567615407.db2.gz TZOZTEQZXOFFPJ-ACJLOTCBSA-N 0 1 382.913 3.318 20 0 GGADMN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083180 567615648 /nfs/dbraw/zinc/61/56/48/567615648.db2.gz SLWSNBGOYPSIIX-NEPJUHHUSA-N 0 1 382.423 3.243 20 0 GGADMN O=C([O-])C[N@@H+](CCOc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000572123995 567615906 /nfs/dbraw/zinc/61/59/06/567615906.db2.gz DKDLJCSTVUVCLB-UHFFFAOYSA-N 0 1 392.677 3.047 20 0 GGADMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083182 567615942 /nfs/dbraw/zinc/61/59/42/567615942.db2.gz SLWSNBGOYPSIIX-RYUDHWBXSA-N 0 1 382.423 3.243 20 0 GGADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000572128606 567616137 /nfs/dbraw/zinc/61/61/37/567616137.db2.gz ZMFMJTGNOLDDIE-UHFFFAOYSA-N 0 1 394.499 3.014 20 0 GGADMN CN(C)c1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)ccn1 ZINC000530650779 567616355 /nfs/dbraw/zinc/61/63/55/567616355.db2.gz JABAWZJLPHBPDP-UHFFFAOYSA-N 0 1 387.237 3.004 20 0 GGADMN OCC[N@@H+](CCOCC(F)(F)F)Cc1cc(Cl)cc(Br)c1 ZINC000459355262 567616631 /nfs/dbraw/zinc/61/66/31/567616631.db2.gz YFIVMYTYGHVDIK-UHFFFAOYSA-N 0 1 390.627 3.476 20 0 GGADMN OCCN(CCOCC(F)(F)F)Cc1cc(Cl)cc(Br)c1 ZINC000459355262 567616636 /nfs/dbraw/zinc/61/66/36/567616636.db2.gz YFIVMYTYGHVDIK-UHFFFAOYSA-N 0 1 390.627 3.476 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2Cl)ccc1Cl ZINC000572156125 567616711 /nfs/dbraw/zinc/61/67/11/567616711.db2.gz ZYYWDMULSJLCME-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN Cc1cc(Br)cn2c(C[NH+]3CCC(CCC(=O)[O-])CC3)cnc12 ZINC000665343444 567619339 /nfs/dbraw/zinc/61/93/39/567619339.db2.gz JDSTZUUHYAKRRS-UHFFFAOYSA-N 0 1 380.286 3.482 20 0 GGADMN O=C(NCc1cc(Cl)cc(Cl)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000665344551 567619554 /nfs/dbraw/zinc/61/95/54/567619554.db2.gz NDHJPDKHYFXODD-KRWDZBQOSA-N 0 1 386.323 3.390 20 0 GGADMN C[C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(F)(F)F ZINC000480664051 567619785 /nfs/dbraw/zinc/61/97/85/567619785.db2.gz ODIGVWKKLSWBKY-KCJUWKMLSA-N 0 1 386.233 3.456 20 0 GGADMN O=C(CCSc1cccc(Cl)c1)N1CCC(CN2CCOCC2)CC1 ZINC000552998256 567620278 /nfs/dbraw/zinc/62/02/78/567620278.db2.gz YLCKRPOOXQVNQU-UHFFFAOYSA-N 0 1 382.957 3.393 20 0 GGADMN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Br)cc2C)[C@H]1SC ZINC000459384292 567620457 /nfs/dbraw/zinc/62/04/57/567620457.db2.gz HZJLUQILMIFQTO-SQWLQELKSA-N 0 1 387.343 3.195 20 0 GGADMN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1SC ZINC000459382762 567620759 /nfs/dbraw/zinc/62/07/59/567620759.db2.gz WZEMNWRXPWHNHM-KURKYZTESA-N 0 1 385.595 3.256 20 0 GGADMN COC(=O)CCC1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000530763100 567622134 /nfs/dbraw/zinc/62/21/34/567622134.db2.gz MOOORUDTPRYVCA-UHFFFAOYSA-N 0 1 398.297 3.386 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000645397733 567622104 /nfs/dbraw/zinc/62/21/04/567622104.db2.gz ZHKOSCPBTCXVHV-UHFFFAOYSA-N 0 1 384.885 3.431 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cccc(Br)c2O)[C@H](CC)CN1C(C)=O ZINC000530748183 567622467 /nfs/dbraw/zinc/62/24/67/567622467.db2.gz WMRYRDMMDSXHMQ-CHWSQXEVSA-N 0 1 383.286 3.016 20 0 GGADMN Oc1cccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1Br ZINC000459406387 567622594 /nfs/dbraw/zinc/62/25/94/567622594.db2.gz CYDQHUFONWZBBN-CZUORRHYSA-N 0 1 386.236 3.482 20 0 GGADMN COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000530754177 567622549 /nfs/dbraw/zinc/62/25/49/567622549.db2.gz DEMCFZYAQMQELA-KRWDZBQOSA-N 0 1 398.345 3.264 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000530767139 567622662 /nfs/dbraw/zinc/62/26/62/567622662.db2.gz AGTPKHVUMRQNAS-UMPQAUOISA-N 0 1 378.314 3.229 20 0 GGADMN CN(C)C(=O)c1cccc(CC[NH2+]Cc2cccc([O-])c2Br)c1 ZINC000459416846 567622693 /nfs/dbraw/zinc/62/26/93/567622693.db2.gz SUKNZBGEUXVOAW-UHFFFAOYSA-N 0 1 377.282 3.189 20 0 GGADMN CN(Cc1cnc[nH]1)c1nc(C(F)(F)F)ccc1I ZINC000596313819 567622922 /nfs/dbraw/zinc/62/29/22/567622922.db2.gz UUIOVKVTEVTOTD-UHFFFAOYSA-N 0 1 382.127 3.065 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2nccc(Br)c2C)CCN1CCOC ZINC000572226153 567622880 /nfs/dbraw/zinc/62/28/80/567622880.db2.gz GZBSZTQFDKEKKP-CQSZACIVSA-N 0 1 399.333 3.117 20 0 GGADMN CCCOc1c(Cl)cc(CN[C@H]2CCCS(=O)(=O)C2)cc1OCC ZINC000530780221 567623376 /nfs/dbraw/zinc/62/33/76/567623376.db2.gz PKQTTWSICVUQOD-AWEZNQCLSA-N 0 1 375.918 3.194 20 0 GGADMN COc1cc(CN[C@H]2CCCS(=O)(=O)C2)ccc1OCc1cccs1 ZINC000530780195 567624033 /nfs/dbraw/zinc/62/40/33/567624033.db2.gz KDKINDZMCSDZFG-HNNXBMFYSA-N 0 1 381.519 3.003 20 0 GGADMN COc1cc(OC)cc(OCCNCc2cccc(O)c2Br)c1 ZINC000459437462 567624260 /nfs/dbraw/zinc/62/42/60/567624260.db2.gz ROJQHQMHHHTABM-UHFFFAOYSA-N 0 1 382.254 3.341 20 0 GGADMN Cc1cc(Br)oc1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506377892 567624501 /nfs/dbraw/zinc/62/45/01/567624501.db2.gz HJLSNSSIAPXGGG-GFCCVEGCSA-N 0 1 375.226 3.182 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cncc(Br)c2)cc1 ZINC000572257898 567624958 /nfs/dbraw/zinc/62/49/58/567624958.db2.gz DMAXBBDJXJSVOE-RYUDHWBXSA-N 0 1 398.326 3.164 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2c(F)cc(Br)cc2F)n[nH]1 ZINC000459451290 567625175 /nfs/dbraw/zinc/62/51/75/567625175.db2.gz XAZUPRRKKQLVOI-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN COCC1(C(=O)[O-])CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000572250493 567625807 /nfs/dbraw/zinc/62/58/07/567625807.db2.gz WRXJTERRAKEHKJ-UHFFFAOYSA-N 0 1 376.678 3.416 20 0 GGADMN CC(C)(C)N1CC[C@@H](NCC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000572242330 567625862 /nfs/dbraw/zinc/62/58/62/567625862.db2.gz FEVLCXYUZNVBAS-OAHLLOKOSA-N 0 1 379.298 3.214 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000480750119 567627419 /nfs/dbraw/zinc/62/74/19/567627419.db2.gz QRDWTECGZNGOHC-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530866262 567628363 /nfs/dbraw/zinc/62/83/63/567628363.db2.gz DVFLLTJGDFZJDK-KGLIPLIRSA-N 0 1 391.313 3.074 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)NCCN1CCC1 ZINC000506489047 567628790 /nfs/dbraw/zinc/62/87/90/567628790.db2.gz LLGSFHBNUPQBQW-NHYWBVRUSA-N 0 1 384.343 3.237 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2cc(F)c(Br)c(F)c2)n[nH]1 ZINC000459488355 567629277 /nfs/dbraw/zinc/62/92/77/567629277.db2.gz UHCSSJJMZJCVFS-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCc1ccc(Br)cc1 ZINC000530898134 567629364 /nfs/dbraw/zinc/62/93/64/567629364.db2.gz KNJBYJPVDDHEJJ-UHFFFAOYSA-N 0 1 380.242 3.229 20 0 GGADMN CCn1cc([C@H]2OCCC[C@@H]2NCc2cccc(O)c2Br)cn1 ZINC000459487381 567629721 /nfs/dbraw/zinc/62/97/21/567629721.db2.gz MKNSVLSHEPAJJM-WMLDXEAASA-N 0 1 380.286 3.381 20 0 GGADMN COc1ccc(F)c(CNC[C@@H](O)COc2cccc(Br)c2)c1 ZINC000622016302 567630448 /nfs/dbraw/zinc/63/04/48/567630448.db2.gz DFCRYGSIYIZIEZ-CQSZACIVSA-N 0 1 384.245 3.126 20 0 GGADMN CCOC(=O)c1noc(CNC(C)(C)Cc2ccc(Br)c(C)c2)n1 ZINC000459496176 567630579 /nfs/dbraw/zinc/63/05/79/567630579.db2.gz WUYMDTWTCLUZJT-UHFFFAOYSA-N 0 1 396.285 3.428 20 0 GGADMN COc1ccc(F)c(CNC[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000622016272 567630625 /nfs/dbraw/zinc/63/06/25/567630625.db2.gz CDTAKQFRHRKSJM-CQSZACIVSA-N 0 1 384.245 3.126 20 0 GGADMN Cn1cc(Br)c(CN2CCC3(CC2)OCCc2ccccc23)n1 ZINC000459495967 567631224 /nfs/dbraw/zinc/63/12/24/567631224.db2.gz NHJZPOYTMFSLMI-UHFFFAOYSA-N 0 1 376.298 3.247 20 0 GGADMN [NH3+]C1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CCCCC1 ZINC000440525563 567631488 /nfs/dbraw/zinc/63/14/88/567631488.db2.gz NNCBAIYKGYKPKO-UHFFFAOYSA-N 0 1 387.752 3.104 20 0 GGADMN Cc1cc(F)cc(NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c1 ZINC000553161090 567632136 /nfs/dbraw/zinc/63/21/36/567632136.db2.gz WXGDLHLXTUZPET-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000506597044 567632321 /nfs/dbraw/zinc/63/23/21/567632321.db2.gz WZYUNXPISZEIBG-UHFFFAOYSA-N 0 1 386.267 3.405 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506585847 567632362 /nfs/dbraw/zinc/63/23/62/567632362.db2.gz UZIIRPNFYHZBPO-UHFFFAOYSA-N 0 1 378.759 3.259 20 0 GGADMN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(SC)c2)c1 ZINC000506583663 567632386 /nfs/dbraw/zinc/63/23/86/567632386.db2.gz KMWZTKGONYEWOC-UHFFFAOYSA-N 0 1 381.475 3.395 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2c(F)cc(F)cc2Br)n[nH]1 ZINC000459516064 567632809 /nfs/dbraw/zinc/63/28/09/567632809.db2.gz NJLIMPGKXLHUCD-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN CCn1ncc2ccc(NS(=O)(=O)c3cncc(Br)c3)cc21 ZINC000506630467 567633797 /nfs/dbraw/zinc/63/37/97/567633797.db2.gz LVUABASYZWLYKA-UHFFFAOYSA-N 0 1 381.255 3.015 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CCNCc1cc(C(F)(F)F)n[nH]1 ZINC000440630001 567635331 /nfs/dbraw/zinc/63/53/31/567635331.db2.gz VODLPABTCDHNLH-UHFFFAOYSA-N 0 1 376.766 3.209 20 0 GGADMN Cc1cc(OCC(=O)Nc2cccc(I)c2)cc(C)n1 ZINC000531007715 567636148 /nfs/dbraw/zinc/63/61/48/567636148.db2.gz ZJDQBFNMFJDKJQ-UHFFFAOYSA-N 0 1 382.201 3.321 20 0 GGADMN COC[C@]1(CNCc2cccc(O)c2Br)OCCc2ccccc21 ZINC000459556525 567636344 /nfs/dbraw/zinc/63/63/44/567636344.db2.gz BLAJRPQSUULREX-IBGZPJMESA-N 0 1 392.293 3.359 20 0 GGADMN CCOc1c(Br)cc(C(=O)NCCN2CC=C(C)CC2)cc1OC ZINC000506662224 567636581 /nfs/dbraw/zinc/63/65/81/567636581.db2.gz QOVBNNFRCXBEJA-UHFFFAOYSA-N 0 1 397.313 3.238 20 0 GGADMN CCNC(=O)C(C)(C)NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000459563366 567637371 /nfs/dbraw/zinc/63/73/71/567637371.db2.gz PYCFEUKTMSNRAF-HNNXBMFYSA-N 0 1 386.323 3.161 20 0 GGADMN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000622117037 567637763 /nfs/dbraw/zinc/63/77/63/567637763.db2.gz OYLBMKVNCCXMOV-VIFPVBQESA-N 0 1 378.841 3.116 20 0 GGADMN O=S(=O)([N-]CCCCC[NH+]1CCCCC1)c1ncccc1C(F)(F)F ZINC000645528933 567637722 /nfs/dbraw/zinc/63/77/22/567637722.db2.gz VOOMNKMFHHGJGJ-UHFFFAOYSA-N 0 1 379.448 3.035 20 0 GGADMN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000622117117 567637780 /nfs/dbraw/zinc/63/77/80/567637780.db2.gz RSZGQTSXVZRGFS-CYBMUJFWSA-N 0 1 396.285 3.401 20 0 GGADMN CN(Cc1n[nH]c(=O)o1)C(=O)CCCSc1ccc(Br)cc1 ZINC000622118413 567638290 /nfs/dbraw/zinc/63/82/90/567638290.db2.gz WBLCPYUMSHVAGO-UHFFFAOYSA-N 0 1 386.271 3.069 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(C)nc2)cc1OCC(F)(F)F ZINC000506691405 567638426 /nfs/dbraw/zinc/63/84/26/567638426.db2.gz YZMOZTYUMZVMDD-UHFFFAOYSA-N 0 1 376.356 3.141 20 0 GGADMN COc1cc2c(cc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1Br)OCO2 ZINC000572434030 567638390 /nfs/dbraw/zinc/63/83/90/567638390.db2.gz MYCCQOUOHONCML-MRXNPFEDSA-N 0 1 394.221 3.102 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1NS(C)(=O)=O ZINC000506675588 567638582 /nfs/dbraw/zinc/63/85/82/567638582.db2.gz LIOWVFXDEZZTJJ-UHFFFAOYSA-N 0 1 396.515 3.382 20 0 GGADMN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1ccsc1 ZINC000506677457 567638610 /nfs/dbraw/zinc/63/86/10/567638610.db2.gz UHZYUAQMOXBWEP-UHFFFAOYSA-N 0 1 378.397 3.149 20 0 GGADMN Cc1csc(Sc2ccc(NS(=O)(=O)c3c(C)cnn3C)cc2)n1 ZINC000506687870 567638761 /nfs/dbraw/zinc/63/87/61/567638761.db2.gz FUIKPAZANMHWJD-UHFFFAOYSA-N 0 1 380.520 3.445 20 0 GGADMN CC(C)C[C@@H](CNc1c(Br)cccc1S(C)(=O)=O)N(C)C ZINC000553249563 567638963 /nfs/dbraw/zinc/63/89/63/567638963.db2.gz OORBCFISCAJDLH-LBPRGKRZSA-N 0 1 377.348 3.241 20 0 GGADMN CC(C)N1CCC(Nc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000553251956 567639619 /nfs/dbraw/zinc/63/96/19/567639619.db2.gz SDYNFCGEWSHWBX-UHFFFAOYSA-N 0 1 375.332 3.137 20 0 GGADMN O=C(NCc1ccco1)Nc1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000506722661 567639845 /nfs/dbraw/zinc/63/98/45/567639845.db2.gz ZANLRTOVYDATBL-UHFFFAOYSA-N 0 1 377.447 3.464 20 0 GGADMN CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459586811 567640951 /nfs/dbraw/zinc/64/09/51/567640951.db2.gz DWKMLNAWTVFVFL-MRXNPFEDSA-N 0 1 384.933 3.025 20 0 GGADMN Cc1ncc(C(=O)NCc2nc3cccc(Br)c3[nH]2)c(C2CC2)n1 ZINC000572458949 567641073 /nfs/dbraw/zinc/64/10/73/567641073.db2.gz DKQGQPUGVZMRSR-UHFFFAOYSA-N 0 1 386.253 3.231 20 0 GGADMN CCS(=O)(=O)NCCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459593928 567641160 /nfs/dbraw/zinc/64/11/60/567641160.db2.gz PWNIIEIOCKMIKP-INIZCTEOSA-N 0 1 384.933 3.073 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000480901507 567641505 /nfs/dbraw/zinc/64/15/05/567641505.db2.gz TXLABZZJFOSBRC-FZKQIMNGSA-N 0 1 382.913 3.318 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000480901508 567641674 /nfs/dbraw/zinc/64/16/74/567641674.db2.gz TXLABZZJFOSBRC-SCLBCKFNSA-N 0 1 382.913 3.318 20 0 GGADMN CC(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000440739134 567642298 /nfs/dbraw/zinc/64/22/98/567642298.db2.gz AJKZNSDJVUKLLY-ZDUSSCGKSA-N 0 1 387.299 3.144 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1cc(Br)cs1)c1cncc(F)c1 ZINC000459618365 567642541 /nfs/dbraw/zinc/64/25/41/567642541.db2.gz DZHYNMZHRXGGEF-JTQLQIEISA-N 0 1 386.290 3.354 20 0 GGADMN CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCCN1CC=CCC1 ZINC000506767404 567642876 /nfs/dbraw/zinc/64/28/76/567642876.db2.gz NADIKULKEWNRLU-QGZVFWFLSA-N 0 1 381.314 3.231 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CC(CC(N)=O)C1 ZINC000459620262 567643037 /nfs/dbraw/zinc/64/30/37/567643037.db2.gz IIVYJWUMUJUMMQ-UHFFFAOYSA-N 0 1 391.313 3.065 20 0 GGADMN CCN1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000553316531 567643137 /nfs/dbraw/zinc/64/31/37/567643137.db2.gz SEONJXCZOGNPBE-RDJZCZTQSA-N 0 1 397.357 3.197 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2cncc(Br)c2)C1=O ZINC000572497963 567643334 /nfs/dbraw/zinc/64/33/34/567643334.db2.gz DIGZCALMJYTFMR-WFASDCNBSA-N 0 1 390.281 3.309 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCN1CC=CCC1 ZINC000506768005 567643332 /nfs/dbraw/zinc/64/33/32/567643332.db2.gz UDVOUZGWTRDICF-UHFFFAOYSA-N 0 1 376.298 3.159 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1nc2c(s1)CCC2 ZINC000459633979 567643682 /nfs/dbraw/zinc/64/36/82/567643682.db2.gz GYRCMOCJYHROGC-AAEUAGOBSA-N 0 1 397.338 3.485 20 0 GGADMN CCc1cnc(CNS(=O)(=O)c2cc(Br)sc2Cl)o1 ZINC000480933265 567643907 /nfs/dbraw/zinc/64/39/07/567643907.db2.gz VOZSDWXNYNOCSO-UHFFFAOYSA-N 0 1 385.692 3.193 20 0 GGADMN O[C@@H](CNCc1cc(C(F)(F)F)n[nH]1)COc1cccc(Cl)c1Cl ZINC000440806043 567643931 /nfs/dbraw/zinc/64/39/31/567643931.db2.gz QRPAEEWCYBZSTP-VIFPVBQESA-N 0 1 384.185 3.265 20 0 GGADMN CN(CC(=O)NCC(F)(F)c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000622207470 567644002 /nfs/dbraw/zinc/64/40/02/567644002.db2.gz IBMQWULQPVVAQK-ZDUSSCGKSA-N 0 1 393.297 3.094 20 0 GGADMN Cc1cc(NS(=O)(=O)CCc2cccc(Cl)c2)n(-c2ccncc2)n1 ZINC000506817961 567644032 /nfs/dbraw/zinc/64/40/32/567644032.db2.gz VEVXOBADCMEVQQ-UHFFFAOYSA-N 0 1 376.869 3.214 20 0 GGADMN CC(C)C[C@H](C)N(C)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000531143066 567644019 /nfs/dbraw/zinc/64/40/19/567644019.db2.gz ZDRFKUWGXTYCGC-AWEZNQCLSA-N 0 1 385.350 3.176 20 0 GGADMN COC(=O)c1ccncc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506815443 567644415 /nfs/dbraw/zinc/64/44/15/567644415.db2.gz MMFUWMNYRDSTLY-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2ccc(Br)cc2)c1 ZINC000459642940 567644611 /nfs/dbraw/zinc/64/46/11/567644611.db2.gz HJMAVBDKYLWJPW-UHFFFAOYSA-N 0 1 383.311 3.037 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2cncc(Br)c2)ccc1C ZINC000506833506 567645820 /nfs/dbraw/zinc/64/58/20/567645820.db2.gz GQKCMPLFOYCVGG-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN CO[C@H](CS(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000645596987 567645970 /nfs/dbraw/zinc/64/59/70/567645970.db2.gz XYXCFPXJRLGCQQ-HZPDHXFCSA-N 0 1 383.901 3.108 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnccc1C ZINC000506850940 567646208 /nfs/dbraw/zinc/64/62/08/567646208.db2.gz JRTQQAATXSWZGT-UHFFFAOYSA-N 0 1 375.233 3.284 20 0 GGADMN Cc1nc2cc(NS(=O)(=O)c3ccccc3Br)ccc2n1C ZINC000531199070 567646342 /nfs/dbraw/zinc/64/63/42/567646342.db2.gz TWAKONAWHUZPOF-UHFFFAOYSA-N 0 1 380.267 3.445 20 0 GGADMN CC[N@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)[C@H](C)CS(=O)(=O)CC ZINC000572532730 567646467 /nfs/dbraw/zinc/64/64/67/567646467.db2.gz BNMJFLGJNPFQDL-LLVKDONJSA-N 0 1 387.498 3.384 20 0 GGADMN CC[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)[C@H](C)CS(=O)(=O)CC ZINC000572532730 567646472 /nfs/dbraw/zinc/64/64/72/567646472.db2.gz BNMJFLGJNPFQDL-LLVKDONJSA-N 0 1 387.498 3.384 20 0 GGADMN CC[N@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)[C@@H](C)CS(=O)(=O)CC ZINC000572532731 567646688 /nfs/dbraw/zinc/64/66/88/567646688.db2.gz BNMJFLGJNPFQDL-NSHDSACASA-N 0 1 387.498 3.384 20 0 GGADMN CC[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)[C@@H](C)CS(=O)(=O)CC ZINC000572532731 567646693 /nfs/dbraw/zinc/64/66/93/567646693.db2.gz BNMJFLGJNPFQDL-NSHDSACASA-N 0 1 387.498 3.384 20 0 GGADMN COCCN(Cc1ccccn1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000622322916 567648219 /nfs/dbraw/zinc/64/82/19/567648219.db2.gz KZQPZKSYBVVWPT-UHFFFAOYSA-N 0 1 376.869 3.475 20 0 GGADMN CC(C)(C)c1nc(CNCC2=Cc3cc(Br)ccc3OC2)n[nH]1 ZINC000459666606 567648274 /nfs/dbraw/zinc/64/82/74/567648274.db2.gz CFCVSZVHYANIEN-UHFFFAOYSA-N 0 1 377.286 3.430 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000622348654 567648413 /nfs/dbraw/zinc/64/84/13/567648413.db2.gz WWABLKMKPFPJHG-LBPRGKRZSA-N 0 1 377.725 3.435 20 0 GGADMN COc1ccc(Br)c(CN(C)C(=O)c2cccc3nn[nH]c32)c1 ZINC000572553678 567648307 /nfs/dbraw/zinc/64/83/07/567648307.db2.gz FPUIMCSWUVSZEZ-UHFFFAOYSA-N 0 1 375.226 3.001 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CCNc2nc(C(F)(F)F)ns2)cc1 ZINC000553388628 567648800 /nfs/dbraw/zinc/64/88/00/567648800.db2.gz FNEJGGSFDVPCFF-UHFFFAOYSA-N 0 1 393.456 3.162 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)sc1Br ZINC000531254529 567649327 /nfs/dbraw/zinc/64/93/27/567649327.db2.gz HYQBOIKUERXVPD-NSHDSACASA-N 0 1 391.287 3.319 20 0 GGADMN COc1ccc(OCc2nc(CNC3(CO)CCSCC3)cs2)cc1 ZINC000459687413 567649859 /nfs/dbraw/zinc/64/98/59/567649859.db2.gz DVIHLVHCWKTCFS-UHFFFAOYSA-N 0 1 380.535 3.078 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)N2CCN(C3CCCC3)CC2)n1 ZINC000666031917 567650088 /nfs/dbraw/zinc/65/00/88/567650088.db2.gz ASNCWEFQYTVAMJ-UHFFFAOYSA-N 0 1 383.334 3.101 20 0 GGADMN CC1(C)CN(C[C@@H](O)COc2ccc(Br)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440943775 567650121 /nfs/dbraw/zinc/65/01/21/567650121.db2.gz RLHRXZWBJPFUMY-DJIMGWMZSA-N 0 1 384.314 3.221 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)[nH]1 ZINC000531293070 567651247 /nfs/dbraw/zinc/65/12/47/567651247.db2.gz QAGGCTVZIKMHNQ-STQMWFEESA-N 0 1 381.299 3.030 20 0 GGADMN COc1cccc2c1C[C@H](NCc1cc(O)c(OC)cc1Br)C2 ZINC000459690857 567652023 /nfs/dbraw/zinc/65/20/23/567652023.db2.gz FUCAICVXHWFQRU-CYBMUJFWSA-N 0 1 378.266 3.429 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000572603363 567652205 /nfs/dbraw/zinc/65/22/05/567652205.db2.gz RLKMYFPJBVMSPN-ZDUSSCGKSA-N 0 1 390.285 3.144 20 0 GGADMN C[C@](N)(C(=O)N1CCOc2ccccc2C1)c1ccc(Br)cc1 ZINC000645651743 567652540 /nfs/dbraw/zinc/65/25/40/567652540.db2.gz YQJBROOZMQGOML-GOSISDBHSA-N 0 1 375.266 3.044 20 0 GGADMN Cc1c([C@H](C)N[C@@H](CO)CC(C)C)nnn1-c1cccc(Br)c1 ZINC000481033593 567652560 /nfs/dbraw/zinc/65/25/60/567652560.db2.gz GLDGNBSIJSAPLU-SWLSCSKDSA-N 0 1 381.318 3.396 20 0 GGADMN C[C@@](CO)(NC(=O)c1csc(=NC2CC2)[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000622662933 567652985 /nfs/dbraw/zinc/65/29/85/567652985.db2.gz WPGAJZMBRGBSAM-INIZCTEOSA-N 0 1 386.304 3.084 20 0 GGADMN COc1cccc(-c2nc(CNC3(CO)CCSCC3)cs2)c1OC ZINC000459703824 567653065 /nfs/dbraw/zinc/65/30/65/567653065.db2.gz DZCQTRDIBOUXHO-UHFFFAOYSA-N 0 1 380.535 3.175 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CCCC[C@@H]1C ZINC000481031919 567653264 /nfs/dbraw/zinc/65/32/64/567653264.db2.gz BLIAZDZDDPIAJA-UONOGXRCSA-N 0 1 378.460 3.333 20 0 GGADMN Cc1c([C@H](C)N[C@H](CO)CC(C)C)nnn1-c1cccc(Br)c1 ZINC000481033594 567653396 /nfs/dbraw/zinc/65/33/96/567653396.db2.gz GLDGNBSIJSAPLU-WFASDCNBSA-N 0 1 381.318 3.396 20 0 GGADMN Cc1cn2[nH]c(=N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)sc2n1 ZINC000481040521 567653444 /nfs/dbraw/zinc/65/34/44/567653444.db2.gz PCBUDFIIVSGJHH-NSHDSACASA-N 0 1 376.791 3.339 20 0 GGADMN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cncc(Cl)c3)cc2F)n1 ZINC000507009532 567653881 /nfs/dbraw/zinc/65/38/81/567653881.db2.gz WOIIBZBJNGRBOM-UHFFFAOYSA-N 0 1 380.832 3.477 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@H]1COc2ccc(Br)cc21 ZINC000507021745 567654197 /nfs/dbraw/zinc/65/41/97/567654197.db2.gz KNCIXFFCDVHLQP-QMMMGPOBSA-N 0 1 376.132 3.306 20 0 GGADMN O=C(NC1CC1)c1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1Cl ZINC000507005885 567654255 /nfs/dbraw/zinc/65/42/55/567654255.db2.gz DOGWQMSYWIFMAK-UHFFFAOYSA-N 0 1 386.260 3.081 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000531344013 567654206 /nfs/dbraw/zinc/65/42/06/567654206.db2.gz XUJYXKNDNCRBQY-ZDUSSCGKSA-N 0 1 394.313 3.264 20 0 GGADMN COc1cc(Br)c(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000531344012 567654305 /nfs/dbraw/zinc/65/43/05/567654305.db2.gz XUJYXKNDNCRBQY-CYBMUJFWSA-N 0 1 394.313 3.264 20 0 GGADMN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507009316 567654615 /nfs/dbraw/zinc/65/46/15/567654615.db2.gz YWECMJYIWRGDRS-UHFFFAOYSA-N 0 1 379.869 3.208 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507009795 567654722 /nfs/dbraw/zinc/65/47/22/567654722.db2.gz YKMIETJPIZOVKQ-UHFFFAOYSA-N 0 1 381.885 3.454 20 0 GGADMN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507013831 567654788 /nfs/dbraw/zinc/65/47/88/567654788.db2.gz RVFWAAFKWFLERK-UHFFFAOYSA-N 0 1 382.869 3.420 20 0 GGADMN Cn1ncc2cc(C(=O)Nc3cc(Cl)cc(Br)c3O)cnc21 ZINC000531371790 567655367 /nfs/dbraw/zinc/65/53/67/567655367.db2.gz OZMIRYYZSDSZMW-UHFFFAOYSA-N 0 1 381.617 3.342 20 0 GGADMN COc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c(Br)c1 ZINC000531364576 567655608 /nfs/dbraw/zinc/65/56/08/567655608.db2.gz KMHHBMCPHZMGCO-UHFFFAOYSA-N 0 1 392.228 3.446 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H]1Cc2cccc(OC)c2C1 ZINC000459733753 567656307 /nfs/dbraw/zinc/65/63/07/567656307.db2.gz SVBCAJZOFCASSJ-HNNXBMFYSA-N 0 1 379.909 3.399 20 0 GGADMN COc1cccc2c1C[C@@H](NCc1cn(-c3ccccc3Br)nn1)C2 ZINC000459732235 567656817 /nfs/dbraw/zinc/65/68/17/567656817.db2.gz ROGAYOODVJBLHR-AWEZNQCLSA-N 0 1 399.292 3.295 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cccc(C)c2Cl)s1 ZINC000531382401 567657284 /nfs/dbraw/zinc/65/72/84/567657284.db2.gz MESXUMLTOZGJHS-UHFFFAOYSA-N 0 1 375.855 3.306 20 0 GGADMN COc1cc(Br)ccc1CNCc1cccc(N2CCC2=O)c1 ZINC000441216616 567657437 /nfs/dbraw/zinc/65/74/37/567657437.db2.gz KIOZGEKLCRSYCP-UHFFFAOYSA-N 0 1 375.266 3.484 20 0 GGADMN CCCNC(=O)C1(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCCC1 ZINC000553480128 567657862 /nfs/dbraw/zinc/65/78/62/567657862.db2.gz CJKAOMPPEFUECJ-UHFFFAOYSA-N 0 1 394.871 3.126 20 0 GGADMN C[C@@H](O)CN(CC(=O)N(C)c1nccs1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441249686 567657977 /nfs/dbraw/zinc/65/79/77/567657977.db2.gz CNPYNWOAZNJOFX-UONOGXRCSA-N 0 1 381.929 3.073 20 0 GGADMN O=C1CCN1c1cccc(CNCc2cnc3ccc(Br)cn23)c1 ZINC000441210680 567658194 /nfs/dbraw/zinc/65/81/94/567658194.db2.gz QBAFVDKMFLEWFD-UHFFFAOYSA-N 0 1 385.265 3.123 20 0 GGADMN COc1ccc(Br)c(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)c1 ZINC000459784314 567659542 /nfs/dbraw/zinc/65/95/42/567659542.db2.gz XEDZCGKZJBYLTH-UHFFFAOYSA-N 0 1 393.325 3.228 20 0 GGADMN Cc1cnc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(Br)c1 ZINC000622833393 567659884 /nfs/dbraw/zinc/65/98/84/567659884.db2.gz ZUWSRXPGIVTTDI-VHSXEESVSA-N 0 1 397.191 3.075 20 0 GGADMN COC1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000645725710 567659882 /nfs/dbraw/zinc/65/98/82/567659882.db2.gz OHVCKIUAKYEMNC-UHFFFAOYSA-N 0 1 391.309 3.443 20 0 GGADMN CC[C@H](C)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000481114452 567659983 /nfs/dbraw/zinc/65/99/83/567659983.db2.gz VEEPJKPWZIEGNE-LBPRGKRZSA-N 0 1 395.388 3.253 20 0 GGADMN CC(C)c1ncc(CNCCNS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000441332180 567661375 /nfs/dbraw/zinc/66/13/75/567661375.db2.gz QKMNXGYZKCXUAX-UHFFFAOYSA-N 0 1 391.921 3.127 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553518928 567661762 /nfs/dbraw/zinc/66/17/62/567661762.db2.gz ZICJJDOXUOWVHN-UHFFFAOYSA-N 0 1 377.844 3.460 20 0 GGADMN Cc1nc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)sc1C(F)(F)F ZINC000622861878 567663099 /nfs/dbraw/zinc/66/30/99/567663099.db2.gz LAPDBMCJFPGEKG-SFYZADRCSA-N 0 1 392.321 3.393 20 0 GGADMN Cc1cc(CNCc2ccc3c(c2)CCS3(=O)=O)ccc1Br ZINC000531557355 567665808 /nfs/dbraw/zinc/66/58/08/567665808.db2.gz OHIXKVMEKRJEJI-UHFFFAOYSA-N 0 1 380.307 3.377 20 0 GGADMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc(Br)cn1 ZINC000572784354 567666386 /nfs/dbraw/zinc/66/63/86/567666386.db2.gz CPJSTBGNRAVAKI-GFCCVEGCSA-N 0 1 388.269 3.392 20 0 GGADMN C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1Br ZINC000507208163 567666976 /nfs/dbraw/zinc/66/69/76/567666976.db2.gz GPJJOTYVHDNERH-BXUZGUMPSA-N 0 1 381.236 3.363 20 0 GGADMN Cc1cc(Br)ccc1CNCc1ccc2c(c1)CCS2(=O)=O ZINC000531582124 567667087 /nfs/dbraw/zinc/66/70/87/567667087.db2.gz ZMIPTOCVAUEZQF-UHFFFAOYSA-N 0 1 380.307 3.377 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(SC)ccc3Cl)C2)CC1 ZINC000596978417 567667959 /nfs/dbraw/zinc/66/79/59/567667959.db2.gz XSTFQEWURZHQQO-CQSZACIVSA-N 0 1 382.961 3.306 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccncc2Br)N2CCCC2)o1 ZINC000507227609 567668266 /nfs/dbraw/zinc/66/82/66/567668266.db2.gz YYNQNYSXFHBYQR-OAHLLOKOSA-N 0 1 393.285 3.126 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cc(SC)ccc3Cl)C2)CC1 ZINC000596978416 567668688 /nfs/dbraw/zinc/66/86/88/567668688.db2.gz XSTFQEWURZHQQO-AWEZNQCLSA-N 0 1 382.961 3.306 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(Cl)cc3SC)C2)CC1 ZINC000596976720 567668706 /nfs/dbraw/zinc/66/87/06/567668706.db2.gz FUNWZQQKJBOFGF-OAHLLOKOSA-N 0 1 382.961 3.306 20 0 GGADMN C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441532672 567668791 /nfs/dbraw/zinc/66/87/91/567668791.db2.gz HMKXYAXPFZXUJX-BLLLJJGKSA-N 0 1 382.917 3.472 20 0 GGADMN CCN(CC)CCN(CC(C)C)C(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000531603941 567668986 /nfs/dbraw/zinc/66/89/86/567668986.db2.gz QXQRVIROROJLLB-UHFFFAOYSA-N 0 1 388.599 3.041 20 0 GGADMN O=S(=O)(CC1CCOCC1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441538694 567669171 /nfs/dbraw/zinc/66/91/71/567669171.db2.gz WNAWDZFPCAGVMD-MRXNPFEDSA-N 0 1 383.901 3.110 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000481293632 567669629 /nfs/dbraw/zinc/66/96/29/567669629.db2.gz HMECEDZNLOCBIT-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN O=C(Cc1cc(Cl)c(Br)cc1F)NCc1n[nH]c(C2CC2)n1 ZINC000572853186 567669604 /nfs/dbraw/zinc/66/96/04/567669604.db2.gz BGWYFKMHIJYHIV-UHFFFAOYSA-N 0 1 387.640 3.096 20 0 GGADMN CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cc(Cl)cc(F)c1F ZINC000441605194 567670111 /nfs/dbraw/zinc/67/01/11/567670111.db2.gz WMLDVKHIOAHWNI-UHFFFAOYSA-N 0 1 380.825 3.182 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cncs1 ZINC000481322200 567670513 /nfs/dbraw/zinc/67/05/13/567670513.db2.gz LOJVWIOHBAFUAC-HUUCEWRRSA-N 0 1 379.551 3.415 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000481323820 567671231 /nfs/dbraw/zinc/67/12/31/567671231.db2.gz PJFBXJPABBNZAR-UHFFFAOYSA-N 0 1 378.841 3.149 20 0 GGADMN C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@H](C)S1 ZINC000531644345 567671788 /nfs/dbraw/zinc/67/17/88/567671788.db2.gz OKJJMJPUESUXTP-STQMWFEESA-N 0 1 376.444 3.070 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cccc(C)c2I)[C@H](C)C1 ZINC000572880056 567672227 /nfs/dbraw/zinc/67/22/27/567672227.db2.gz IWXWXKAXFQLVLY-CHWSQXEVSA-N 0 1 386.277 3.154 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 ZINC000572887203 567672281 /nfs/dbraw/zinc/67/22/81/567672281.db2.gz LHIZLXMLIFBTPT-ZANVPECISA-N 0 1 390.698 3.138 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)n[nH]1 ZINC000553636599 567672395 /nfs/dbraw/zinc/67/23/95/567672395.db2.gz XROVRGWDVDFFIL-MRVPVSSYSA-N 0 1 376.511 3.013 20 0 GGADMN Cc1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n[nH]1 ZINC000553636083 567672979 /nfs/dbraw/zinc/67/29/79/567672979.db2.gz WAOUASHLFQAFCS-JGVFFNPUSA-N 0 1 387.665 3.174 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000507272316 567673241 /nfs/dbraw/zinc/67/32/41/567673241.db2.gz LAWOLQQVAPEUQJ-RYUDHWBXSA-N 0 1 378.460 3.139 20 0 GGADMN CCCCNC(=O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000507293357 567674376 /nfs/dbraw/zinc/67/43/76/567674376.db2.gz RBTHCFGFWCKZCJ-UHFFFAOYSA-N 0 1 396.329 3.016 20 0 GGADMN O=S(=O)(N[C@@H]1CCCOc2ccc(F)cc21)c1c(F)cc(F)cc1F ZINC000507289427 567674444 /nfs/dbraw/zinc/67/44/44/567674444.db2.gz LPJRGBUTRKMRLT-CQSZACIVSA-N 0 1 375.343 3.435 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(Br)c(C)n2)CCN1CCOC ZINC000481378203 567674623 /nfs/dbraw/zinc/67/46/23/567674623.db2.gz UDPDLALRADZKSL-AWEZNQCLSA-N 0 1 399.333 3.117 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccccc1)c1ccccc1I ZINC000531687781 567674806 /nfs/dbraw/zinc/67/48/06/567674806.db2.gz MMFFTIZTBXPJET-KBPBESRZSA-N 0 1 397.256 3.382 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000572915244 567675109 /nfs/dbraw/zinc/67/51/09/567675109.db2.gz MWVQUTOOXDLJRC-CQSZACIVSA-N 0 1 375.519 3.095 20 0 GGADMN C[C@H](CNC(=O)N[C@@H]1CCCc2cn[nH]c21)Oc1cccc(Br)c1 ZINC000531719432 567675767 /nfs/dbraw/zinc/67/57/67/567675767.db2.gz NTRPMXCBZDXMDZ-IAQYHMDHSA-N 0 1 393.285 3.316 20 0 GGADMN Cc1cc(Br)ccc1CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000507356040 567677105 /nfs/dbraw/zinc/67/71/05/567677105.db2.gz XOAREXUTGRUGFF-INIZCTEOSA-N 0 1 389.359 3.051 20 0 GGADMN Cc1cc(Br)ccc1CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000507356043 567677135 /nfs/dbraw/zinc/67/71/35/567677135.db2.gz XOAREXUTGRUGFF-MRXNPFEDSA-N 0 1 389.359 3.051 20 0 GGADMN COC(=O)c1oc(CNC[C@H](O)COc2cccc(Cl)c2Cl)cc1C ZINC000597046260 567677277 /nfs/dbraw/zinc/67/72/77/567677277.db2.gz CZSWNCDTCJOHBQ-NSHDSACASA-N 0 1 388.247 3.211 20 0 GGADMN O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1csc(=NC2CC2)[nH]1 ZINC000531766351 567677356 /nfs/dbraw/zinc/67/73/56/567677356.db2.gz YBMVZFHIFCXXNZ-CHWSQXEVSA-N 0 1 378.295 3.188 20 0 GGADMN O=C(c1cc(Br)c2ccccc2c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000645880817 567678659 /nfs/dbraw/zinc/67/86/59/567678659.db2.gz BQOWMKMZGZXNGW-GFCCVEGCSA-N 0 1 386.253 3.135 20 0 GGADMN O=C(NC[C@H]1CCN1Cc1ccccc1)Nc1cncc(Br)c1 ZINC000666449612 567679181 /nfs/dbraw/zinc/67/91/81/567679181.db2.gz KMDRKGZCCSCDRO-MRXNPFEDSA-N 0 1 375.270 3.240 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000441994836 567680906 /nfs/dbraw/zinc/68/09/06/567680906.db2.gz BOJDHWDGWPPEJK-ZDUSSCGKSA-N 0 1 381.929 3.132 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2cncc(Br)c2C)cc1 ZINC000597087512 567681328 /nfs/dbraw/zinc/68/13/28/567681328.db2.gz GTBKJGACARPPNA-UHFFFAOYSA-N 0 1 393.281 3.336 20 0 GGADMN O=C(CCN1CCN2CC(F)(F)C[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000645937747 567681740 /nfs/dbraw/zinc/68/17/40/567681740.db2.gz WXZFXJWCTNJJMM-NSHDSACASA-N 0 1 378.250 3.347 20 0 GGADMN COC(=O)CC1(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCCC1 ZINC000553765479 567681731 /nfs/dbraw/zinc/68/17/31/567681731.db2.gz FZCZUAHQJYVGCU-UHFFFAOYSA-N 0 1 381.828 3.163 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC(CN3CCOCC3)CC2)c1C ZINC000666515182 567682010 /nfs/dbraw/zinc/68/20/10/567682010.db2.gz UHBLFWDUJYIPRA-UHFFFAOYSA-N 0 1 395.341 3.250 20 0 GGADMN CCc1cccnc1[C@@H](C)NCCNC(=O)c1ccc(Br)cc1 ZINC000507517212 567683167 /nfs/dbraw/zinc/68/31/67/567683167.db2.gz YTZUZYMHOQIJTA-CYBMUJFWSA-N 0 1 376.298 3.487 20 0 GGADMN CCc1cccnc1[C@@H](C)NCCNC(=O)c1cccc(Br)c1 ZINC000507511054 567684053 /nfs/dbraw/zinc/68/40/53/567684053.db2.gz NNIUMWYDRHWVMM-CYBMUJFWSA-N 0 1 376.298 3.487 20 0 GGADMN CCO[C@@H]1COC[C@H]1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000573072697 567684832 /nfs/dbraw/zinc/68/48/32/567684832.db2.gz JSDARXUXGAVMJO-IXDOHACOSA-N 0 1 387.307 3.050 20 0 GGADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)NCC(=O)c1cccs1 ZINC000481526381 567684913 /nfs/dbraw/zinc/68/49/13/567684913.db2.gz GBYBUVXMOCXPNS-SGTLLEGYSA-N 0 1 380.897 3.066 20 0 GGADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)NCC(=O)c1cccs1 ZINC000481526380 567685441 /nfs/dbraw/zinc/68/54/41/567685441.db2.gz GBYBUVXMOCXPNS-KZULUSFZSA-N 0 1 380.897 3.066 20 0 GGADMN OCCN(CCCO[C@H]1CCCCO1)Cc1cc(Br)ccc1F ZINC000460383962 567686019 /nfs/dbraw/zinc/68/60/19/567686019.db2.gz XCGTZKKQZMERMM-KRWDZBQOSA-N 0 1 390.293 3.316 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2C)c1 ZINC000442221362 567686310 /nfs/dbraw/zinc/68/63/10/567686310.db2.gz RMFRSIZXAGSSMS-UHFFFAOYSA-N 0 1 379.869 3.287 20 0 GGADMN O=S(=O)([N-]CCC[C@@H]1CCC[NH2+]1)c1c(Cl)cc(F)cc1Br ZINC000573090114 567687540 /nfs/dbraw/zinc/68/75/40/567687540.db2.gz RJHRRIKKDSSPEH-JTQLQIEISA-N 0 1 399.713 3.052 20 0 GGADMN Cc1nc2cccc(C(=O)N[C@H](CO)c3ccc(Br)c(F)c3)c2[nH]1 ZINC000553816026 567687494 /nfs/dbraw/zinc/68/74/94/567687494.db2.gz RSDGPSUMOIIKQH-OAHLLOKOSA-N 0 1 392.228 3.236 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Br)cc2)CCO1 ZINC000666581102 567687673 /nfs/dbraw/zinc/68/76/73/567687673.db2.gz YXKGHAOMIWGJMM-KRWDZBQOSA-N 0 1 376.250 3.402 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Br)cc2)CCO1 ZINC000666581102 567687681 /nfs/dbraw/zinc/68/76/81/567687681.db2.gz YXKGHAOMIWGJMM-KRWDZBQOSA-N 0 1 376.250 3.402 20 0 GGADMN CNC(=O)Nc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1F ZINC000507581254 567687851 /nfs/dbraw/zinc/68/78/51/567687851.db2.gz IRUNYUAYJDKWSQ-UHFFFAOYSA-N 0 1 375.784 3.170 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000666580761 567687978 /nfs/dbraw/zinc/68/79/78/567687978.db2.gz RPUZPSBTPXEOMR-AWEZNQCLSA-N 0 1 382.279 3.463 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000666580761 567687981 /nfs/dbraw/zinc/68/79/81/567687981.db2.gz RPUZPSBTPXEOMR-AWEZNQCLSA-N 0 1 382.279 3.463 20 0 GGADMN O=S(=O)(CCCCF)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000553812932 567687845 /nfs/dbraw/zinc/68/78/45/567687845.db2.gz BHMZFDDAIQWSJQ-UHFFFAOYSA-N 0 1 376.925 3.221 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cn2)sc1Br ZINC000573103260 567688359 /nfs/dbraw/zinc/68/83/59/567688359.db2.gz YIHPYWUGOSQEFF-LURJTMIESA-N 0 1 396.719 3.302 20 0 GGADMN Cc1nc2cccc(C(=O)N[C@@H](CO)c3ccc(Br)c(F)c3)c2[nH]1 ZINC000553816023 567688354 /nfs/dbraw/zinc/68/83/54/567688354.db2.gz RSDGPSUMOIIKQH-HNNXBMFYSA-N 0 1 392.228 3.236 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Br)s2)CCO1 ZINC000666580565 567688503 /nfs/dbraw/zinc/68/85/03/567688503.db2.gz NKJBFKKNPRONQL-AWEZNQCLSA-N 0 1 382.279 3.463 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Br)s2)CCO1 ZINC000666580565 567688520 /nfs/dbraw/zinc/68/85/20/567688520.db2.gz NKJBFKKNPRONQL-AWEZNQCLSA-N 0 1 382.279 3.463 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2ccsc2)c(C)cc1Br ZINC000507595578 567688911 /nfs/dbraw/zinc/68/89/11/567688911.db2.gz KGBNFYHCSQVQLT-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN O=S(=O)(NCCN[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000531952667 567689180 /nfs/dbraw/zinc/68/91/80/567689180.db2.gz HJZZVCSMNWSMRH-MRXNPFEDSA-N 0 1 382.938 3.445 20 0 GGADMN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC2(CN(C)C2)C1 ZINC000646021167 567689898 /nfs/dbraw/zinc/68/98/98/567689898.db2.gz PGVBZQBVFBBEFZ-NSHDSACASA-N 0 1 387.705 3.034 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)N(C)Cc1cnc[nH]1 ZINC000666607003 567690072 /nfs/dbraw/zinc/69/00/72/567690072.db2.gz PQTUMGRGNQKRSV-UHFFFAOYSA-N 0 1 397.273 3.251 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000531980063 567691659 /nfs/dbraw/zinc/69/16/59/567691659.db2.gz BCLTVGQIFQGVJX-MEDUHNTESA-N 0 1 395.276 3.168 20 0 GGADMN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc(O)c(OC)cc1Br ZINC000597240838 567691847 /nfs/dbraw/zinc/69/18/47/567691847.db2.gz POHLZTRSBQXZEE-RDJZCZTQSA-N 0 1 386.286 3.375 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(C)(C)CS(C)(=O)=O)n1 ZINC000442400361 567692344 /nfs/dbraw/zinc/69/23/44/567692344.db2.gz XLNPJCRMOCUVQX-UHFFFAOYSA-N 0 1 389.930 3.297 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCOc3c(Br)cccc3C2)C1 ZINC000623214325 567692446 /nfs/dbraw/zinc/69/24/46/567692446.db2.gz SSSRWRUNJBFVDQ-SMDDNHRTSA-N 0 1 390.281 3.259 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000623215955 567692504 /nfs/dbraw/zinc/69/25/04/567692504.db2.gz LBKMJOMEVSUAIS-NHYWBVRUSA-N 0 1 390.281 3.259 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCOc3c(Br)cccc3C2)C1 ZINC000623214323 567692631 /nfs/dbraw/zinc/69/26/31/567692631.db2.gz SSSRWRUNJBFVDQ-FZMZJTMJSA-N 0 1 390.281 3.259 20 0 GGADMN COc1cc(OC)c(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)cc1Br ZINC000623210237 567692750 /nfs/dbraw/zinc/69/27/50/567692750.db2.gz HAOOGKPKPWAKQQ-MWLCHTKSSA-N 0 1 394.269 3.494 20 0 GGADMN OCC[C@@H](NC[C@H](O)COc1cccc(Br)c1)c1ccccc1F ZINC000646066863 567693238 /nfs/dbraw/zinc/69/32/38/567693238.db2.gz FKCMTTLYPQAODW-KBXCAEBGSA-N 0 1 398.272 3.041 20 0 GGADMN CC(C)c1nnc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)s1 ZINC000532075129 567695453 /nfs/dbraw/zinc/69/54/53/567695453.db2.gz SEDPIGSICVGHQB-AWEZNQCLSA-N 0 1 381.933 3.417 20 0 GGADMN O=C([O-])C[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C1CCCC1 ZINC000573221658 567696499 /nfs/dbraw/zinc/69/64/99/567696499.db2.gz LMISLVHFQQWKJZ-UHFFFAOYSA-N 0 1 384.270 3.440 20 0 GGADMN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000553889895 567696525 /nfs/dbraw/zinc/69/65/25/567696525.db2.gz NRVQIZAPODXJPF-HOCLYGCPSA-N 0 1 377.535 3.057 20 0 GGADMN CN(Cc1cn(-c2ccccc2Br)nn1)C1CCC(CO)CC1 ZINC000573214317 567696547 /nfs/dbraw/zinc/69/65/47/567696547.db2.gz NLPPVSGZUKJKRJ-UHFFFAOYSA-N 0 1 379.302 3.013 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(F)c(Br)c1 ZINC000507692197 567698457 /nfs/dbraw/zinc/69/84/57/567698457.db2.gz BCIVXDBORJVAGX-ZYHUDNBSSA-N 0 1 375.307 3.203 20 0 GGADMN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000532113780 567699195 /nfs/dbraw/zinc/69/91/95/567699195.db2.gz IRZHUWRZBRQTRR-UHFFFAOYSA-N 0 1 379.507 3.471 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)Oc1cccc(Br)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000460718942 567699430 /nfs/dbraw/zinc/69/94/30/567699430.db2.gz TYTIWMAPLNNHBI-KFWWJZLASA-N 0 1 383.330 3.453 20 0 GGADMN NC1(c2noc([C@H]3CC(=O)Nc4ccc(Br)cc43)n2)CCCC1 ZINC000573247901 567699567 /nfs/dbraw/zinc/69/95/67/567699567.db2.gz SBNOGMNHIQBKGT-NSHDSACASA-N 0 1 377.242 3.034 20 0 GGADMN COc1cc(CNC2(CF)CCC2)cc(I)c1OC ZINC000573247905 567699975 /nfs/dbraw/zinc/69/99/75/567699975.db2.gz SGXPVKNXBFHFOC-UHFFFAOYSA-N 0 1 379.213 3.290 20 0 GGADMN Cn1c(=O)[nH]nc1SCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000532152631 567700511 /nfs/dbraw/zinc/70/05/11/567700511.db2.gz UYMZYOGDCDSHFY-GFCCVEGCSA-N 0 1 387.292 3.283 20 0 GGADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](CO)CN1CCCC1 ZINC000646221327 567700659 /nfs/dbraw/zinc/70/06/59/567700659.db2.gz DYFYZHIJNGMKAV-YPMHNXCESA-N 0 1 377.337 3.047 20 0 GGADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000646221325 567700892 /nfs/dbraw/zinc/70/08/92/567700892.db2.gz DYFYZHIJNGMKAV-DGCLKSJQSA-N 0 1 377.337 3.047 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000573268013 567700979 /nfs/dbraw/zinc/70/09/79/567700979.db2.gz WVKFDHYCUMDRGK-WVWOOGAGSA-N 0 1 376.280 3.307 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(F)c(Br)c1 ZINC000507722721 567700915 /nfs/dbraw/zinc/70/09/15/567700915.db2.gz UHDIEYNGZOQNAX-SECBINFHSA-N 0 1 392.232 3.203 20 0 GGADMN C[C@@H]1[C@@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)C1(F)F ZINC000460761362 567701236 /nfs/dbraw/zinc/70/12/36/567701236.db2.gz WXGIOFIJFMGCOJ-YGRLFVJLSA-N 0 1 388.256 3.041 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(F)c(Br)c1 ZINC000507722725 567701351 /nfs/dbraw/zinc/70/13/51/567701351.db2.gz UHDIEYNGZOQNAX-VIFPVBQESA-N 0 1 392.232 3.203 20 0 GGADMN CCc1ncc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)s1 ZINC000460772550 567702106 /nfs/dbraw/zinc/70/21/06/567702106.db2.gz QZQKIDJVGICTKW-UHFFFAOYSA-N 0 1 385.898 3.287 20 0 GGADMN C[C@](N)(C(=O)N1CCc2c(F)cc(F)cc2C1)c1ccc(Br)cc1 ZINC000646251997 567702937 /nfs/dbraw/zinc/70/29/37/567702937.db2.gz MLGSYUWHJBAUDN-GOSISDBHSA-N 0 1 395.247 3.486 20 0 GGADMN C[C@@](N)(C(=O)N1CCc2c(F)cc(F)cc2C1)c1ccc(Br)cc1 ZINC000646251998 567703072 /nfs/dbraw/zinc/70/30/72/567703072.db2.gz MLGSYUWHJBAUDN-SFHVURJKSA-N 0 1 395.247 3.486 20 0 GGADMN Cc1cc(CNC[C@H]2CN(Cc3ccccc3)CCO2)ncc1Br ZINC000623340777 567703465 /nfs/dbraw/zinc/70/34/65/567703465.db2.gz XNZARHYNQFAFIF-SFHVURJKSA-N 0 1 390.325 3.143 20 0 GGADMN CCOc1c(Br)cc(CNc2nc(C)cc(N(C)C)n2)cc1OC ZINC000507762572 567703497 /nfs/dbraw/zinc/70/34/97/567703497.db2.gz SZABBJLRILZNDR-UHFFFAOYSA-N 0 1 395.301 3.055 20 0 GGADMN C[C@@H]1COCCN1C1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000646317329 567705244 /nfs/dbraw/zinc/70/52/44/567705244.db2.gz PPJRWDOTOBSIDY-OAHLLOKOSA-N 0 1 395.341 3.093 20 0 GGADMN O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000646312645 567705495 /nfs/dbraw/zinc/70/54/95/567705495.db2.gz QPNYYHHXTAZULF-UHFFFAOYSA-N 0 1 399.208 3.068 20 0 GGADMN CC[C@H](C)NC(=O)[C@H](C)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000623384355 567706231 /nfs/dbraw/zinc/70/62/31/567706231.db2.gz ZIFBMLWFVVAILC-UWVGGRQHSA-N 0 1 385.331 3.294 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1c[nH]nc1-c1ccc(Br)s1 ZINC000623384356 567706515 /nfs/dbraw/zinc/70/65/15/567706515.db2.gz ZIFBMLWFVVAILC-VHSXEESVSA-N 0 1 385.331 3.294 20 0 GGADMN CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000573333928 567706441 /nfs/dbraw/zinc/70/64/41/567706441.db2.gz KBSSKRRWVZMPKK-NSHDSACASA-N 0 1 394.269 3.253 20 0 GGADMN CC(C)[C@@H]1CN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CCCO1 ZINC000573331732 567706508 /nfs/dbraw/zinc/70/65/08/567706508.db2.gz CHVSBVILOGQXTN-PBHICJAKSA-N 0 1 383.330 3.373 20 0 GGADMN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000442821104 567709969 /nfs/dbraw/zinc/70/99/69/567709969.db2.gz AYUGEEUBJOPXOW-UHFFFAOYSA-N 0 1 399.877 3.432 20 0 GGADMN Brc1ccc(C2CC(NCc3nnnn3-c3ccccc3)C2)cc1 ZINC000573389333 567709789 /nfs/dbraw/zinc/70/97/89/567709789.db2.gz GFBRREVGJQMUFA-UHFFFAOYSA-N 0 1 384.281 3.461 20 0 GGADMN O=C(NCc1noc(C(F)(F)F)n1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000573405764 567711250 /nfs/dbraw/zinc/71/12/50/567711250.db2.gz SZIJMTXCWYPKBB-UHFFFAOYSA-N 0 1 377.735 3.123 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000460953151 567711955 /nfs/dbraw/zinc/71/19/55/567711955.db2.gz RPJXHCHGOYSNGS-UHFFFAOYSA-N 0 1 395.341 3.332 20 0 GGADMN CCCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)[C@H]1CC[N@@H+](C)C1 ZINC000646363960 567712334 /nfs/dbraw/zinc/71/23/34/567712334.db2.gz VHKXUPBGTMBXOS-AWEZNQCLSA-N 0 1 379.917 3.228 20 0 GGADMN COc1ccsc1[C@H](C)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854894 567712295 /nfs/dbraw/zinc/71/22/95/567712295.db2.gz BBHKWRPFQAJUBC-JTQLQIEISA-N 0 1 392.905 3.178 20 0 GGADMN COc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854895 567712941 /nfs/dbraw/zinc/71/29/41/567712941.db2.gz BBHKWRPFQAJUBC-SNVBAGLBSA-N 0 1 392.905 3.178 20 0 GGADMN NC(=O)[C@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1cccc(Br)c1 ZINC000442860132 567712997 /nfs/dbraw/zinc/71/29/97/567712997.db2.gz BEVRZZXFVDJZQJ-FZKQIMNGSA-N 0 1 384.277 3.214 20 0 GGADMN CC1CCN(CC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000532388085 567713147 /nfs/dbraw/zinc/71/31/47/567713147.db2.gz AOTOSBQJZOVIHK-UHFFFAOYSA-N 0 1 378.826 3.014 20 0 GGADMN COc1cc(CNCCNS(=O)(=O)c2ccc(Cl)s2)ccc1Cl ZINC000623470194 567713106 /nfs/dbraw/zinc/71/31/06/567713106.db2.gz CULMWGTYTBUBKH-UHFFFAOYSA-N 0 1 395.333 3.132 20 0 GGADMN COc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1ccsc1 ZINC000507889823 567713427 /nfs/dbraw/zinc/71/34/27/567713427.db2.gz FHHYIGZJRUFOOH-UHFFFAOYSA-N 0 1 382.507 3.173 20 0 GGADMN CCCc1nc(C)c(NS(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)s1 ZINC000507893693 567713542 /nfs/dbraw/zinc/71/35/42/567713542.db2.gz NHHQATFVYTZRLR-CQSZACIVSA-N 0 1 382.507 3.103 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1Cl ZINC000442875532 567713682 /nfs/dbraw/zinc/71/36/82/567713682.db2.gz WIBLEZIUCMPFFU-JTQLQIEISA-N 0 1 392.830 3.386 20 0 GGADMN CC[C@H](NC(=O)C(=O)N1CCN(C2CCCC2)CC1)c1ccc(Cl)s1 ZINC000554159488 567713921 /nfs/dbraw/zinc/71/39/21/567713921.db2.gz KJPJVDZFVGHNCS-AWEZNQCLSA-N 0 1 383.945 3.056 20 0 GGADMN O=C([O-])CC[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000573445714 567714318 /nfs/dbraw/zinc/71/43/18/567714318.db2.gz RBOWRKTVZAYGRZ-UHFFFAOYSA-N 0 1 396.281 3.181 20 0 GGADMN Cc1ccc(Br)c(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000573455374 567715150 /nfs/dbraw/zinc/71/51/50/567715150.db2.gz HHJYZOMAONLZCQ-HNNXBMFYSA-N 0 1 396.329 3.476 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000460997905 567715963 /nfs/dbraw/zinc/71/59/63/567715963.db2.gz BXRGQDRFMQBDSJ-UHFFFAOYSA-N 0 1 381.314 3.003 20 0 GGADMN O=S(=O)(Nc1ccc(-c2ncco2)cc1)c1cncc(Br)c1 ZINC000507922943 567716175 /nfs/dbraw/zinc/71/61/75/567716175.db2.gz WGPXCFSPSRWSJJ-UHFFFAOYSA-N 0 1 380.223 3.300 20 0 GGADMN O=S(=O)(Nc1ccc(OCC(F)F)cc1)c1cncc(Br)c1 ZINC000507911005 567716530 /nfs/dbraw/zinc/71/65/30/567716530.db2.gz YQOLXCNLGNHTSV-UHFFFAOYSA-N 0 1 393.209 3.289 20 0 GGADMN O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCCc2n[nH]nc21 ZINC000666991458 567717162 /nfs/dbraw/zinc/71/71/62/567717162.db2.gz BGFRZTQWVGBQGT-CQSZACIVSA-N 0 1 389.297 3.225 20 0 GGADMN CCC(CC)[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1cccs1 ZINC000667002131 567717171 /nfs/dbraw/zinc/71/71/71/567717171.db2.gz CYJIQBXVGQCERH-INIZCTEOSA-N 0 1 382.507 3.008 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cn1 ZINC000507947841 567717507 /nfs/dbraw/zinc/71/75/07/567717507.db2.gz FVGVYLSZBCZSSB-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000573504712 567717783 /nfs/dbraw/zinc/71/77/83/567717783.db2.gz XHQBAKQXZGQDAD-NSHDSACASA-N 0 1 375.270 3.191 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000554266404 567717985 /nfs/dbraw/zinc/71/79/85/567717985.db2.gz XOLHAZOLQQHBDF-WMLDXEAASA-N 0 1 375.314 3.159 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCCCc1ccc(Cl)s1 ZINC000573501018 567718126 /nfs/dbraw/zinc/71/81/26/567718126.db2.gz XWKOUQVOSDKWEB-CQSZACIVSA-N 0 1 387.977 3.211 20 0 GGADMN COc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)c(Cl)c1 ZINC000532496912 567719031 /nfs/dbraw/zinc/71/90/31/567719031.db2.gz UXGISXBZRMNJAO-UHFFFAOYSA-N 0 1 388.942 3.095 20 0 GGADMN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(C(F)(F)F)s1 ZINC000461107075 567719685 /nfs/dbraw/zinc/71/96/85/567719685.db2.gz IPVVJTDJQMIKKT-UHFFFAOYSA-N 0 1 383.335 3.157 20 0 GGADMN C[C@H](NCCOC[C@@H]1CCCO1)c1ccccc1I ZINC000532500767 567719965 /nfs/dbraw/zinc/71/99/65/567719965.db2.gz FUVHKLMFTHXHDD-STQMWFEESA-N 0 1 375.250 3.137 20 0 GGADMN C[C@H](NCCOC[C@H]1CCCO1)c1ccccc1I ZINC000532500766 567720085 /nfs/dbraw/zinc/72/00/85/567720085.db2.gz FUVHKLMFTHXHDD-QWHCGFSZSA-N 0 1 375.250 3.137 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)[nH]1 ZINC000554298719 567720196 /nfs/dbraw/zinc/72/01/96/567720196.db2.gz NVLRCGOSMXEURL-AWEZNQCLSA-N 0 1 395.326 3.408 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)n1 ZINC000554298719 567720202 /nfs/dbraw/zinc/72/02/02/567720202.db2.gz NVLRCGOSMXEURL-AWEZNQCLSA-N 0 1 395.326 3.408 20 0 GGADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1ccccc1Br ZINC000507970771 567720353 /nfs/dbraw/zinc/72/03/53/567720353.db2.gz JCKQXADYJAWGGG-UHFFFAOYSA-N 0 1 396.329 3.112 20 0 GGADMN COc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1NC(N)=O ZINC000507977926 567720383 /nfs/dbraw/zinc/72/03/83/567720383.db2.gz DRQDMWLCUYNHEU-UHFFFAOYSA-N 0 1 377.447 3.201 20 0 GGADMN CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000554300838 567720823 /nfs/dbraw/zinc/72/08/23/567720823.db2.gz OGTLVDMRLKOAEG-QFYYESIMSA-N 0 1 389.297 3.112 20 0 GGADMN CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000554300838 567720829 /nfs/dbraw/zinc/72/08/29/567720829.db2.gz OGTLVDMRLKOAEG-QFYYESIMSA-N 0 1 389.297 3.112 20 0 GGADMN O=S1(=O)NC(CN2CCc3c(ccc(Cl)c3Cl)C2)=Nc2ccccc21 ZINC000532529943 567721418 /nfs/dbraw/zinc/72/14/18/567721418.db2.gz UJTLTTBNSPVRKX-UHFFFAOYSA-N 0 1 396.299 3.374 20 0 GGADMN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(Br)c(C)n1 ZINC000573554359 567721553 /nfs/dbraw/zinc/72/15/53/567721553.db2.gz SPDDUCDOCOCSSM-CQSZACIVSA-N 0 1 399.310 3.152 20 0 GGADMN COc1ccc(N2C[C@H](NCc3cc(C)c(Br)cn3)CC2=O)cc1 ZINC000623563674 567721597 /nfs/dbraw/zinc/72/15/97/567721597.db2.gz GXKDYORFVKDHJK-CQSZACIVSA-N 0 1 390.281 3.056 20 0 GGADMN C[C@@H]1N(C(=O)[C@](C)(N)c2ccc(Br)cc2)CCC12CCOCC2 ZINC000646500351 567722187 /nfs/dbraw/zinc/72/21/87/567722187.db2.gz GLYXHVVADBQAID-SUMWQHHRSA-N 0 1 381.314 3.041 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2c(C)cccc2Cl)s1 ZINC000461116489 567722867 /nfs/dbraw/zinc/72/28/67/567722867.db2.gz LCMROZJDPOWGRN-UHFFFAOYSA-N 0 1 375.855 3.306 20 0 GGADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000508005578 567722818 /nfs/dbraw/zinc/72/28/18/567722818.db2.gz MBGKKQMJTPXFSU-UHFFFAOYSA-N 0 1 396.329 3.112 20 0 GGADMN C[C@](N)(C(=O)N1CC[C@H](Oc2ccccc2)C1)c1ccc(Br)cc1 ZINC000573568784 567723661 /nfs/dbraw/zinc/72/36/61/567723661.db2.gz ZETKDNIUZMHRHZ-PKOBYXMFSA-N 0 1 389.293 3.303 20 0 GGADMN CC(C)CN(CC(N)=O)Cc1ccc(Br)c(Br)c1 ZINC000508042677 567723833 /nfs/dbraw/zinc/72/38/33/567723833.db2.gz QEWFARQUIYMBOP-UHFFFAOYSA-N 0 1 378.108 3.155 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2c(Br)cccc2C1 ZINC000532613302 567724868 /nfs/dbraw/zinc/72/48/68/567724868.db2.gz HDFBYMZVSBNVSJ-HNNXBMFYSA-N 0 1 375.270 3.318 20 0 GGADMN CCCOc1ccc(S(=O)(=O)Nc2cnc(C(=O)OC)c(Cl)c2)cc1 ZINC000508070571 567725370 /nfs/dbraw/zinc/72/53/70/567725370.db2.gz XBQIKAZPGXQFEV-UHFFFAOYSA-N 0 1 384.841 3.111 20 0 GGADMN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc(Br)cc1O ZINC000443029458 567726536 /nfs/dbraw/zinc/72/65/36/567726536.db2.gz GUMCTLQKNSDZDG-UHFFFAOYSA-N 0 1 390.237 3.245 20 0 GGADMN O=C(NC1CCN(c2nccs2)CC1)c1cccc(Br)c1O ZINC000532616463 567726681 /nfs/dbraw/zinc/72/66/81/567726681.db2.gz IVPIVBGNGDLCRZ-UHFFFAOYSA-N 0 1 382.283 3.010 20 0 GGADMN COc1cc(Br)c(CNC[C@H]2CCCN2CC(F)F)c(OC)c1 ZINC000623624887 567726810 /nfs/dbraw/zinc/72/68/10/567726810.db2.gz COEIIIPEDCJELQ-LLVKDONJSA-N 0 1 393.272 3.285 20 0 GGADMN CC[C@H](NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc(Cl)s1 ZINC000554415109 567727257 /nfs/dbraw/zinc/72/72/57/567727257.db2.gz UGFDFLCITSDAEY-KBPBESRZSA-N 0 1 383.945 3.102 20 0 GGADMN CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000667132148 567728439 /nfs/dbraw/zinc/72/84/39/567728439.db2.gz RGXMUUHVKGNODD-IINYFYTJSA-N 0 1 380.290 3.257 20 0 GGADMN C[C@H]1COCCN1CCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000573663666 567729048 /nfs/dbraw/zinc/72/90/48/567729048.db2.gz DEFMSRMFCHRADU-NSHDSACASA-N 0 1 383.315 3.047 20 0 GGADMN CC(C)(CNS(=O)(=O)CCCC(F)(F)F)N1CCc2ccccc2C1 ZINC000554464473 567729382 /nfs/dbraw/zinc/72/93/82/567729382.db2.gz JYBGGLLKNSAMBC-UHFFFAOYSA-N 0 1 378.460 3.085 20 0 GGADMN CCOC(=O)C(C)(C)CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000554472913 567729495 /nfs/dbraw/zinc/72/94/95/567729495.db2.gz PEJHGORMFOMNOW-UHFFFAOYSA-N 0 1 395.257 3.152 20 0 GGADMN C[C@@](N)(C(=O)N1CCC[C@H](OCC2CC2)C1)c1ccc(Br)cc1 ZINC000573681611 567730021 /nfs/dbraw/zinc/73/00/21/567730021.db2.gz MBKBROMZEUMLGZ-WMZOPIPTSA-N 0 1 381.314 3.041 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000532712814 567729997 /nfs/dbraw/zinc/72/99/97/567729997.db2.gz WAKMGAHNBJYGLU-SNVBAGLBSA-N 0 1 378.778 3.484 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000532712814 567730001 /nfs/dbraw/zinc/73/00/01/567730001.db2.gz WAKMGAHNBJYGLU-SNVBAGLBSA-N 0 1 378.778 3.484 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)CCc1ccccc1Br ZINC000461344255 567730932 /nfs/dbraw/zinc/73/09/32/567730932.db2.gz MWKBONOJAVBVAI-UHFFFAOYSA-N 0 1 398.278 3.220 20 0 GGADMN Cc1nn(C)c2cc(NS(=O)(=O)c3ccccc3Br)ccc12 ZINC000461340997 567731001 /nfs/dbraw/zinc/73/10/01/567731001.db2.gz SRKRMLQBCAPBBT-UHFFFAOYSA-N 0 1 380.267 3.445 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)c1cc(Br)cn1C(C)C ZINC000646603645 567731405 /nfs/dbraw/zinc/73/14/05/567731405.db2.gz QWKRMVULSNVOKF-AWEZNQCLSA-N 0 1 380.286 3.270 20 0 GGADMN Cc1nn(C)c2ncc(CN3CCC(n4cc(Br)cn4)CC3)cc12 ZINC000597996237 567731456 /nfs/dbraw/zinc/73/14/56/567731456.db2.gz VJHAVOPETZDWJG-UHFFFAOYSA-N 0 1 389.301 3.073 20 0 GGADMN C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)N1CCSCC1 ZINC000532763495 567732764 /nfs/dbraw/zinc/73/27/64/567732764.db2.gz NCHKOALVMZZVHW-YJBOKZPZSA-N 0 1 381.973 3.030 20 0 GGADMN COCCc1ccnc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000508130431 567733611 /nfs/dbraw/zinc/73/36/11/567733611.db2.gz GSXDOHLKJCDUSU-UHFFFAOYSA-N 0 1 392.811 3.326 20 0 GGADMN O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000646697968 567736042 /nfs/dbraw/zinc/73/60/42/567736042.db2.gz JNDRTEDDXGPAMM-CPFSXVBKSA-N 0 1 379.791 3.367 20 0 GGADMN Cn1ncc(Br)c1CN[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000623756520 567736230 /nfs/dbraw/zinc/73/62/30/567736230.db2.gz ZKTIUSVBEWJJGE-NSHDSACASA-N 0 1 387.684 3.344 20 0 GGADMN C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000573796576 567736494 /nfs/dbraw/zinc/73/64/94/567736494.db2.gz MMNRNGNMYNRSSJ-OCCSQVGLSA-N 0 1 392.301 3.087 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)cs1 ZINC000461432430 567736955 /nfs/dbraw/zinc/73/69/55/567736955.db2.gz ULVVIJVCKSABAN-UHFFFAOYSA-N 0 1 380.491 3.060 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1CO[C@H](C)C1 ZINC000573803161 567737285 /nfs/dbraw/zinc/73/72/85/567737285.db2.gz OCDYVTOOXUQSDO-PWSUYJOCSA-N 0 1 384.263 3.233 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc(C)c1Cl ZINC000443162164 567737284 /nfs/dbraw/zinc/73/72/84/567737284.db2.gz YCOLJGXDQFFEPD-CQSZACIVSA-N 0 1 379.913 3.376 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1CO[C@@H](C)C1 ZINC000573803158 567737757 /nfs/dbraw/zinc/73/77/57/567737757.db2.gz OCDYVTOOXUQSDO-JQWIXIFHSA-N 0 1 384.263 3.233 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000623815694 567739123 /nfs/dbraw/zinc/73/91/23/567739123.db2.gz NQTSJNVZWVAHHX-HNNXBMFYSA-N 0 1 379.869 3.084 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c(Cl)c1 ZINC000573877748 567741095 /nfs/dbraw/zinc/74/10/95/567741095.db2.gz OJCMUCPMUQDRTB-FZKQIMNGSA-N 0 1 382.913 3.318 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC)cc2Cl)c1 ZINC000554682834 567741963 /nfs/dbraw/zinc/74/19/63/567741963.db2.gz OHQWYOZESKUMOA-UHFFFAOYSA-N 0 1 383.857 3.291 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000598141692 567742021 /nfs/dbraw/zinc/74/20/21/567742021.db2.gz ZWOPBAYLODUDNT-AWEZNQCLSA-N 0 1 397.361 3.462 20 0 GGADMN Cc1ccoc1CC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000667350585 567742930 /nfs/dbraw/zinc/74/29/30/567742930.db2.gz LWORRNXUEIKEJX-UHFFFAOYSA-N 0 1 392.297 3.284 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)C2CC3(CC3)C2)CC1 ZINC000667350888 567743131 /nfs/dbraw/zinc/74/31/31/567743131.db2.gz WKXFSCSAIQKSEE-UHFFFAOYSA-N 0 1 378.314 3.330 20 0 GGADMN CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000573909372 567743423 /nfs/dbraw/zinc/74/34/23/567743423.db2.gz DQAVNGITWWRGQH-CQSZACIVSA-N 0 1 392.297 3.333 20 0 GGADMN CC[C@@H]1Cc2c(Br)cccc2CN1CCC(=O)Nc1cc(C)on1 ZINC000573909372 567743427 /nfs/dbraw/zinc/74/34/27/567743427.db2.gz DQAVNGITWWRGQH-CQSZACIVSA-N 0 1 392.297 3.333 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)c2nccn21 ZINC000573898823 567743492 /nfs/dbraw/zinc/74/34/92/567743492.db2.gz BWASTRIRXRPDAH-BXKDBHETSA-N 0 1 389.257 3.027 20 0 GGADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000646814897 567744351 /nfs/dbraw/zinc/74/43/51/567744351.db2.gz VLJAEQXBCVTQIF-UHFFFAOYSA-N 0 1 399.208 3.068 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CCCc3scnc32)s1 ZINC000623887063 567744424 /nfs/dbraw/zinc/74/44/24/567744424.db2.gz SSEXYZSQXDKMFP-AWEZNQCLSA-N 0 1 399.607 3.445 20 0 GGADMN Cc1sc(NC(=O)CN2CCN(C)C[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000532982145 567745412 /nfs/dbraw/zinc/74/54/12/567745412.db2.gz NWROKSCLVGCJFI-GFCCVEGCSA-N 0 1 378.929 3.346 20 0 GGADMN Cc1ccc(NC(=O)c2conc2C(C)(C)N)cc1I ZINC000573934000 567745374 /nfs/dbraw/zinc/74/53/74/567745374.db2.gz NVRMEEJCBFLNIS-UHFFFAOYSA-N 0 1 385.205 3.034 20 0 GGADMN Cc1sc(NC(=O)CN2CCN(C)C[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000532982147 567745576 /nfs/dbraw/zinc/74/55/76/567745576.db2.gz NWROKSCLVGCJFI-LBPRGKRZSA-N 0 1 378.929 3.346 20 0 GGADMN COCc1nc2cc(NS(=O)(=O)c3ccc(OC)cc3Cl)ccc2o1 ZINC000554725450 567745627 /nfs/dbraw/zinc/74/56/27/567745627.db2.gz DGVQTTVYBNFQFY-UHFFFAOYSA-N 0 1 382.825 3.437 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000667423703 567746066 /nfs/dbraw/zinc/74/60/66/567746066.db2.gz SSCZWCNEZJEQKP-AWEZNQCLSA-N 0 1 399.304 3.224 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1C ZINC000667422926 567746188 /nfs/dbraw/zinc/74/61/88/567746188.db2.gz BWNQGXCBDWHJFB-QGZVFWFLSA-N 0 1 395.341 3.393 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000461744814 567746193 /nfs/dbraw/zinc/74/61/93/567746193.db2.gz CBFCZKACDMOQTF-YOEHRIQHSA-N 0 1 383.330 3.026 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000461744811 567746329 /nfs/dbraw/zinc/74/63/29/567746329.db2.gz CBFCZKACDMOQTF-PBHICJAKSA-N 0 1 383.330 3.026 20 0 GGADMN COc1cc2nccc(N3C[C@@H](C)S(=O)(=O)[C@H](C)C3)c2cc1Br ZINC000573957919 567746390 /nfs/dbraw/zinc/74/63/90/567746390.db2.gz NURSBZVMKTWTGE-GHMZBOCLSA-N 0 1 399.310 3.018 20 0 GGADMN COc1cc2nccc(N3C[C@@H](C)S(=O)(=O)[C@@H](C)C3)c2cc1Br ZINC000573957920 567746589 /nfs/dbraw/zinc/74/65/89/567746589.db2.gz NURSBZVMKTWTGE-PHIMTYICSA-N 0 1 399.310 3.018 20 0 GGADMN O[C@@H](CN[C@H]1CCCc2scnc21)COc1ccccc1Br ZINC000623920360 567746975 /nfs/dbraw/zinc/74/69/75/567746975.db2.gz KCBZRYHCINPTGF-AAEUAGOBSA-N 0 1 383.311 3.313 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000667423704 567746963 /nfs/dbraw/zinc/74/69/63/567746963.db2.gz SSCZWCNEZJEQKP-CQSZACIVSA-N 0 1 399.304 3.224 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@H](C)c1ccc(Br)s1 ZINC000443311245 567747324 /nfs/dbraw/zinc/74/73/24/567747324.db2.gz LIOPYQWGPDUGJA-LLVKDONJSA-N 0 1 383.311 3.486 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000554755184 567747894 /nfs/dbraw/zinc/74/78/94/567747894.db2.gz IBEURJCYTCWRJV-OKILXGFUSA-N 0 1 383.330 3.331 20 0 GGADMN Cc1csc(C2(NCCOc3ccc(S(C)(=O)=O)cc3)CCCC2)n1 ZINC000533064977 567748203 /nfs/dbraw/zinc/74/82/03/567748203.db2.gz PUKWCOYXAOGOEU-UHFFFAOYSA-N 0 1 380.535 3.293 20 0 GGADMN C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 ZINC000461791330 567748366 /nfs/dbraw/zinc/74/83/66/567748366.db2.gz NGZUXDSMTLRMII-RBSFLKMASA-N 0 1 383.330 3.168 20 0 GGADMN C[C@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 ZINC000461791328 567748501 /nfs/dbraw/zinc/74/85/01/567748501.db2.gz NGZUXDSMTLRMII-KFWWJZLASA-N 0 1 383.330 3.168 20 0 GGADMN Cn1cc(C[N@H+](C)Cc2cc(Br)c([O-])c(Br)c2)cn1 ZINC000667484831 567749086 /nfs/dbraw/zinc/74/90/86/567749086.db2.gz ZNLNDNQGSCJIJJ-UHFFFAOYSA-N 0 1 389.091 3.283 20 0 GGADMN Cn1cc(C[N@@H+](C)Cc2cc(Br)c([O-])c(Br)c2)cn1 ZINC000667484831 567749089 /nfs/dbraw/zinc/74/90/89/567749089.db2.gz ZNLNDNQGSCJIJJ-UHFFFAOYSA-N 0 1 389.091 3.283 20 0 GGADMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000443333746 567749437 /nfs/dbraw/zinc/74/94/37/567749437.db2.gz PEVPMMHFKBTHJF-GYSYKLTISA-N 0 1 376.831 3.361 20 0 GGADMN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000443333747 567749783 /nfs/dbraw/zinc/74/97/83/567749783.db2.gz PEVPMMHFKBTHJF-JTNHKYCSSA-N 0 1 376.831 3.361 20 0 GGADMN C[C@@H](NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(Br)s1 ZINC000443337818 567749859 /nfs/dbraw/zinc/74/98/59/567749859.db2.gz UIESCLUQESIEBF-UPJWGTAASA-N 0 1 387.343 3.331 20 0 GGADMN C[C@@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(Br)s1 ZINC000443337815 567750164 /nfs/dbraw/zinc/75/01/64/567750164.db2.gz UIESCLUQESIEBF-AGIUHOORSA-N 0 1 387.343 3.331 20 0 GGADMN COC(=O)c1cccc2nc(NCc3ccc(OC)c(Br)c3)[nH]c21 ZINC000508491235 567750674 /nfs/dbraw/zinc/75/06/74/567750674.db2.gz VBCKECHWRYYIDK-UHFFFAOYSA-N 0 1 390.237 3.155 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000508491077 567751452 /nfs/dbraw/zinc/75/14/52/567751452.db2.gz UCVRSZSQKROVOX-INIZCTEOSA-N 0 1 377.286 3.081 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCOc2ccc(Br)cc2)O1 ZINC000554835634 567751520 /nfs/dbraw/zinc/75/15/20/567751520.db2.gz KWRKPDNICGNNAP-DXEWXGHRSA-N 0 1 398.297 3.011 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCOc2ccc(Br)cc2)O1 ZINC000554835637 567751820 /nfs/dbraw/zinc/75/18/20/567751820.db2.gz KWRKPDNICGNNAP-IEAZIUSSSA-N 0 1 398.297 3.011 20 0 GGADMN Cn1c2ccc(Cl)cc2nc1SCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000508527752 567752823 /nfs/dbraw/zinc/75/28/23/567752823.db2.gz NADXOXBAWBWLCU-UHFFFAOYSA-N 0 1 392.893 3.341 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ncc(I)s1 ZINC000554866691 567752889 /nfs/dbraw/zinc/75/28/89/567752889.db2.gz DMHRHRVKNRCHRT-UHFFFAOYSA-N 0 1 390.294 3.400 20 0 GGADMN COC(=O)c1cc(CN[C@@H](c2cncc(Br)c2)C2CC2)cn1C ZINC000554863584 567753041 /nfs/dbraw/zinc/75/30/41/567753041.db2.gz GMQNCIKLAKUXRJ-MRXNPFEDSA-N 0 1 378.270 3.210 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)CCN(C2CCC2)C1 ZINC000646994265 567753503 /nfs/dbraw/zinc/75/35/03/567753503.db2.gz UASKWYQTNCJVTK-LBPRGKRZSA-N 0 1 378.567 3.370 20 0 GGADMN CCN1CCN(Cc2ncc(Br)cc2Br)[C@H](C)C1 ZINC000554868178 567754319 /nfs/dbraw/zinc/75/43/19/567754319.db2.gz DUHWLCHKVASDBD-SNVBAGLBSA-N 0 1 377.124 3.133 20 0 GGADMN CCOc1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC000443405921 567754950 /nfs/dbraw/zinc/75/49/50/567754950.db2.gz YIXPUQMHVUSOOU-UHFFFAOYSA-N 0 1 376.356 3.222 20 0 GGADMN CCOc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 ZINC000443398155 567755503 /nfs/dbraw/zinc/75/55/03/567755503.db2.gz HNXMPYNXKVWQEE-UHFFFAOYSA-N 0 1 378.841 3.120 20 0 GGADMN C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H](C)C1 ZINC000647032740 567755964 /nfs/dbraw/zinc/75/59/64/567755964.db2.gz GZKARPJCGPSBOW-MQIPJXDCSA-N 0 1 391.313 3.128 20 0 GGADMN Cc1c(Br)cncc1CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000667558283 567756337 /nfs/dbraw/zinc/75/63/37/567756337.db2.gz BUSGSZBOXWLWRX-VBQJREDUSA-N 0 1 382.346 3.226 20 0 GGADMN O=S(=O)(NC[C@]1(CO)C[C@H]1c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000554918184 567756851 /nfs/dbraw/zinc/75/68/51/567756851.db2.gz BBPDFGUZMZBILH-SJCJKPOMSA-N 0 1 387.835 3.063 20 0 GGADMN CCCc1nc(=NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935925 567757535 /nfs/dbraw/zinc/75/75/35/567757535.db2.gz NCFOJSAMZRUEMD-ZFWWWQNUSA-N 0 1 379.917 3.133 20 0 GGADMN CCCc1nc(=NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935925 567757539 /nfs/dbraw/zinc/75/75/39/567757539.db2.gz NCFOJSAMZRUEMD-ZFWWWQNUSA-N 0 1 379.917 3.133 20 0 GGADMN Cc1ncc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)n1C ZINC000667584848 567757728 /nfs/dbraw/zinc/75/77/28/567757728.db2.gz IKTZWJBJENIJBO-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cn(-c5cccc(Cl)c5Cl)nn4)[C@H]1[C@H]3C2 ZINC000574120432 567757835 /nfs/dbraw/zinc/75/78/35/567757835.db2.gz MOCAEJLOTHFXBJ-RRGUEFANSA-N 0 1 379.291 3.429 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000574120431 567757927 /nfs/dbraw/zinc/75/79/27/567757927.db2.gz MOCAEJLOTHFXBJ-OCBAZWNDSA-N 0 1 379.291 3.429 20 0 GGADMN CCCc1nc(=NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935921 567758016 /nfs/dbraw/zinc/75/80/16/567758016.db2.gz NCFOJSAMZRUEMD-HIFRSBDPSA-N 0 1 379.917 3.133 20 0 GGADMN CCCc1nc(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935921 567758020 /nfs/dbraw/zinc/75/80/20/567758020.db2.gz NCFOJSAMZRUEMD-HIFRSBDPSA-N 0 1 379.917 3.133 20 0 GGADMN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc2ccc(F)cc2[nH]1 ZINC000574136389 567758525 /nfs/dbraw/zinc/75/85/25/567758525.db2.gz BHUNFMKLJHXHEQ-UHFFFAOYSA-N 0 1 381.194 3.377 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000533208399 567759275 /nfs/dbraw/zinc/75/92/75/567759275.db2.gz LDFQRFWQVWBUKK-HNNXBMFYSA-N 0 1 388.339 3.492 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000533203161 567759692 /nfs/dbraw/zinc/75/96/92/567759692.db2.gz OBCLOUPIUZUPHD-SNVBAGLBSA-N 0 1 378.778 3.484 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCCC1CCOCC1 ZINC000574165321 567759787 /nfs/dbraw/zinc/75/97/87/567759787.db2.gz VGLPOYSNHYGVTE-QGZVFWFLSA-N 0 1 382.298 3.467 20 0 GGADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC000443465305 567760091 /nfs/dbraw/zinc/76/00/91/567760091.db2.gz GZBYVSCCUDAULV-UHFFFAOYSA-N 0 1 381.500 3.496 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000443468329 567760104 /nfs/dbraw/zinc/76/01/04/567760104.db2.gz 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ZINC000667640520 567761211 /nfs/dbraw/zinc/76/12/11/567761211.db2.gz WOTQKAROEXYMDE-UHFFFAOYSA-N 0 1 375.064 3.272 20 0 GGADMN C[N@@H+](Cc1cn[nH]c1)Cc1cc(Br)c([O-])c(Br)c1 ZINC000667640520 567761215 /nfs/dbraw/zinc/76/12/15/567761215.db2.gz WOTQKAROEXYMDE-UHFFFAOYSA-N 0 1 375.064 3.272 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1Cl ZINC000647125393 567761872 /nfs/dbraw/zinc/76/18/72/567761872.db2.gz RDGQJFJTOUSUCS-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cc(Br)c(=O)[nH]c1C)c1ccco1 ZINC000508687274 567762588 /nfs/dbraw/zinc/76/25/88/567762588.db2.gz BZJAFCDNETVOBM-CQSZACIVSA-N 0 1 396.285 3.264 20 0 GGADMN Cc1c(Br)cncc1CN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000667647771 567762626 /nfs/dbraw/zinc/76/26/26/567762626.db2.gz FFEPYRGYDVWRFC-UHFFFAOYSA-N 0 1 388.309 3.172 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cccc(Br)c2OC(F)F)[C@@H]1OC ZINC000508714590 567762839 /nfs/dbraw/zinc/76/28/39/567762839.db2.gz HMESLRVGHWFKHM-SCRDCRAPSA-N 0 1 380.229 3.333 20 0 GGADMN CCC[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)c1ccc(F)cc1F ZINC000443499991 567762829 /nfs/dbraw/zinc/76/28/29/567762829.db2.gz JINNICCKMUQYBX-GFCCVEGCSA-N 0 1 390.433 3.028 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000533309844 567764179 /nfs/dbraw/zinc/76/41/79/567764179.db2.gz QXCWFUMUTKVYDI-KGLIPLIRSA-N 0 1 391.313 3.074 20 0 GGADMN COc1c(Br)cccc1CNCc1ccccc1Cn1cncn1 ZINC000508738498 567764292 /nfs/dbraw/zinc/76/42/92/567764292.db2.gz GIKFSRUBSNPXJT-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN Clc1ccc([C@H](c2nc([C@@H]3CCCN3)no2)N2CCOCC2)c(Cl)c1 ZINC000647149798 567764721 /nfs/dbraw/zinc/76/47/21/567764721.db2.gz SECMSUXXGMPRDW-LSDHHAIUSA-N 0 1 383.279 3.223 20 0 GGADMN CC(=O)[C@H](NC(=O)CNC1(c2ccc(Br)cc2)CCC1)C(C)C ZINC000533355624 567765325 /nfs/dbraw/zinc/76/53/25/567765325.db2.gz ZRNLCWVXXQCNLN-QGZVFWFLSA-N 0 1 381.314 3.148 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000533352457 567765796 /nfs/dbraw/zinc/76/57/96/567765796.db2.gz UANCCYPSLBKRHO-LBPRGKRZSA-N 0 1 397.393 3.347 20 0 GGADMN Cc1cc(N2C[C@@H](c3nc([C@@H]4CCCN4)no3)CC2=O)ccc1Br ZINC000647153322 567766172 /nfs/dbraw/zinc/76/61/72/567766172.db2.gz ZGMURJJWQOTCMC-FZMZJTMJSA-N 0 1 391.269 3.086 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccccc1Br)c1nc([C@@H]2CCCN2)no1 ZINC000647155541 567766242 /nfs/dbraw/zinc/76/62/42/567766242.db2.gz AEMINFCGMQAXSN-KBPBESRZSA-N 0 1 393.285 3.384 20 0 GGADMN Cc1nc2ccccn2c1CNCC(=O)Nc1ccc(Br)c(C)c1 ZINC000443552655 567766336 /nfs/dbraw/zinc/76/63/36/567766336.db2.gz WGXPBHUKWFSRSI-UHFFFAOYSA-N 0 1 387.281 3.442 20 0 GGADMN Cc1cc(N2C[C@H](c3nc([C@@H]4CCCN4)no3)CC2=O)ccc1Br ZINC000647153323 567766339 /nfs/dbraw/zinc/76/63/39/567766339.db2.gz ZGMURJJWQOTCMC-RISCZKNCSA-N 0 1 391.269 3.086 20 0 GGADMN O=C(c1sc2ccccc2c1Br)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000555070029 567767072 /nfs/dbraw/zinc/76/70/72/567767072.db2.gz KTPAXLSEJJKDPR-SECBINFHSA-N 0 1 392.282 3.197 20 0 GGADMN C[C@H](CN1CCCC1=O)NCc1cc(OC(F)F)ccc1Br ZINC000647173198 567767379 /nfs/dbraw/zinc/76/73/79/567767379.db2.gz YBGVOIYONOJMLC-SNVBAGLBSA-N 0 1 377.229 3.151 20 0 GGADMN COc1ccccc1[C@@H](N)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000647186338 567767385 /nfs/dbraw/zinc/76/73/85/567767385.db2.gz KCNMUHUVFNQGSJ-HNNXBMFYSA-N 0 1 389.304 3.121 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000598428170 567767466 /nfs/dbraw/zinc/76/74/66/567767466.db2.gz LKDLEKZTFDURJE-ZUZCIYMTSA-N 0 1 384.263 3.268 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ncc(Br)cc1F ZINC000624196189 567767937 /nfs/dbraw/zinc/76/79/37/567767937.db2.gz YIVJOEMREQGNGZ-VAHXTSCQSA-N 0 1 382.233 3.265 20 0 GGADMN O=C(NCCNCc1cc(OC(F)F)ccc1Br)c1ccco1 ZINC000647169465 567768120 /nfs/dbraw/zinc/76/81/20/567768120.db2.gz NQSVNIJCRXOMRG-UHFFFAOYSA-N 0 1 389.196 3.163 20 0 GGADMN FC(F)Oc1ccc(Br)c(CNCCOC[C@@H]2CCCO2)c1 ZINC000647184060 567768510 /nfs/dbraw/zinc/76/85/10/567768510.db2.gz ZZVCGCUBCLVDKX-ZDUSSCGKSA-N 0 1 380.229 3.336 20 0 GGADMN Clc1ccc(OCCN2CCC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000443598176 567768631 /nfs/dbraw/zinc/76/86/31/567768631.db2.gz HIRLCFYRZMHUAV-CYBMUJFWSA-N 0 1 399.720 3.485 20 0 GGADMN CCO[C@@H]1COCC[C@@H]1NCc1cc(OC(F)F)ccc1Br ZINC000647201537 567769429 /nfs/dbraw/zinc/76/94/29/567769429.db2.gz RCDDKXKMIGCVRR-UONOGXRCSA-N 0 1 380.229 3.334 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)c(Br)c1 ZINC000574288126 567769764 /nfs/dbraw/zinc/76/97/64/567769764.db2.gz KRXVPRXDIJSDOY-OAHLLOKOSA-N 0 1 396.329 3.476 20 0 GGADMN COc1ccccc1CN(CCO)CCOc1ccccc1Br ZINC000508861381 567770287 /nfs/dbraw/zinc/77/02/87/567770287.db2.gz UNIZUJPOGIJKNG-UHFFFAOYSA-N 0 1 380.282 3.331 20 0 GGADMN CC(C)Oc1ccc(Br)cc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000574314870 567770913 /nfs/dbraw/zinc/77/09/13/567770913.db2.gz NEWHGZXVLSJBDS-NSHDSACASA-N 0 1 394.273 3.376 20 0 GGADMN COCC[C@@]1(NCc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000647206958 567771077 /nfs/dbraw/zinc/77/10/77/567771077.db2.gz NUPSBICRACCPGM-OAHLLOKOSA-N 0 1 380.229 3.336 20 0 GGADMN CC(C)Oc1ccc(Br)cc1NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000574314869 567771221 /nfs/dbraw/zinc/77/12/21/567771221.db2.gz NEWHGZXVLSJBDS-LLVKDONJSA-N 0 1 394.273 3.376 20 0 GGADMN CCS(=O)(=O)N(C)CCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000443682357 567771211 /nfs/dbraw/zinc/77/12/11/567771211.db2.gz OLPTYZVUWWDHAN-UHFFFAOYSA-N 0 1 375.416 3.337 20 0 GGADMN Cc1nc2c(Cl)cccc2c(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1C ZINC000555135046 567772255 /nfs/dbraw/zinc/77/22/55/567772255.db2.gz FIXOLWGQCAMXKJ-CQSZACIVSA-N 0 1 381.929 3.412 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)cc12 ZINC000462102243 567772508 /nfs/dbraw/zinc/77/25/08/567772508.db2.gz LOTZGFYNMVKLBF-MRVPVSSYSA-N 0 1 379.825 3.309 20 0 GGADMN O=S(=O)(N[C@H]1CCN(CC2CCCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000462101320 567772665 /nfs/dbraw/zinc/77/26/65/567772665.db2.gz ITOLEZRXSPDLQX-LBPRGKRZSA-N 0 1 382.473 3.310 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc12 ZINC000462104855 567772782 /nfs/dbraw/zinc/77/27/82/567772782.db2.gz ROGIWSVGDBIKRK-UHFFFAOYSA-N 0 1 375.303 3.490 20 0 GGADMN CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000462108579 567773429 /nfs/dbraw/zinc/77/34/29/567773429.db2.gz MMMRSNYSZJCQOR-CYBMUJFWSA-N 0 1 393.408 3.350 20 0 GGADMN C[C@@H](NCc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCCOC1 ZINC000574366052 567774310 /nfs/dbraw/zinc/77/43/10/567774310.db2.gz LZQWZHOSWJWTOB-TZMCWYRMSA-N 0 1 380.286 3.328 20 0 GGADMN C[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1cccc(Br)c1 ZINC000462110629 567774801 /nfs/dbraw/zinc/77/48/01/567774801.db2.gz GIZHLSPQQHDSIF-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN CN1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C(C)(C)C1 ZINC000462111298 567774972 /nfs/dbraw/zinc/77/49/72/567774972.db2.gz IRZAPLRDGBVHCJ-QFBILLFUSA-N 0 1 377.326 3.206 20 0 GGADMN CN1CCN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C(C)(C)C1 ZINC000462111296 567775004 /nfs/dbraw/zinc/77/50/04/567775004.db2.gz IRZAPLRDGBVHCJ-APWZRJJASA-N 0 1 377.326 3.206 20 0 GGADMN CCO[C@@H](CC)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000574421009 567776278 /nfs/dbraw/zinc/77/62/78/567776278.db2.gz QAADOFKHNKYWTH-DYVFJYSZSA-N 0 1 398.345 3.343 20 0 GGADMN NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC000443853761 567778190 /nfs/dbraw/zinc/77/81/90/567778190.db2.gz NONZLEPRGDBOMJ-CQSZACIVSA-N 0 1 390.452 3.297 20 0 GGADMN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3cnc(C)s3)n2)cc1 ZINC000533631920 567778419 /nfs/dbraw/zinc/77/84/19/567778419.db2.gz FZJGOHZSKQIVKY-SNVBAGLBSA-N 0 1 378.479 3.103 20 0 GGADMN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3cnc(C)s3)n2)cc1 ZINC000533631918 567778814 /nfs/dbraw/zinc/77/88/14/567778814.db2.gz FZJGOHZSKQIVKY-JTQLQIEISA-N 0 1 378.479 3.103 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632865 567778989 /nfs/dbraw/zinc/77/89/89/567778989.db2.gz IRTTVHPHHALLLU-WMLDXEAASA-N 0 1 379.913 3.066 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000533631667 567779122 /nfs/dbraw/zinc/77/91/22/567779122.db2.gz TXDDNDLSPXREFT-LLVKDONJSA-N 0 1 397.292 3.483 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)cn1 ZINC000624430478 567779526 /nfs/dbraw/zinc/77/95/26/567779526.db2.gz RTCCODLTPVUJIA-HNNXBMFYSA-N 0 1 379.869 3.084 20 0 GGADMN OC[C@H](CNCc1cn(-c2cccc(Cl)c2Cl)nn1)Cc1ccco1 ZINC000533637091 567779791 /nfs/dbraw/zinc/77/97/91/567779791.db2.gz AZYNMSPICGLHOU-LBPRGKRZSA-N 0 1 381.263 3.108 20 0 GGADMN O=S(=O)([N-]CCC[C@@H]1CCC[NH2+]1)c1cc(Cl)c(Br)cc1F ZINC000647321022 567779987 /nfs/dbraw/zinc/77/99/87/567779987.db2.gz RIKYWDWHXLAANK-VIFPVBQESA-N 0 1 399.713 3.052 20 0 GGADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(F)(F)F ZINC000443926595 567780420 /nfs/dbraw/zinc/78/04/20/567780420.db2.gz KKHCILMBZBSCDI-QPUJVOFHSA-N 0 1 387.807 3.382 20 0 GGADMN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(F)(F)F ZINC000443926596 567780502 /nfs/dbraw/zinc/78/05/02/567780502.db2.gz KKHCILMBZBSCDI-UFBFGSQYSA-N 0 1 387.807 3.382 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)CC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000555354905 567780828 /nfs/dbraw/zinc/78/08/28/567780828.db2.gz ZGZOLOBFVSNOHR-MAUKXSAKSA-N 0 1 388.961 3.069 20 0 GGADMN Brc1cccc(-c2nc(CNCCN3CCCOCC3)cs2)c1 ZINC000574486428 567780825 /nfs/dbraw/zinc/78/08/25/567780825.db2.gz FJOAUUHOVSBDFY-UHFFFAOYSA-N 0 1 396.354 3.385 20 0 GGADMN CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(F)(F)F ZINC000443945078 567781326 /nfs/dbraw/zinc/78/13/26/567781326.db2.gz OTCQDYWQVKLIKE-UFBFGSQYSA-N 0 1 387.807 3.382 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367242 567781638 /nfs/dbraw/zinc/78/16/38/567781638.db2.gz CKERGNMJSGURIU-IUCAKERBSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367242 567781641 /nfs/dbraw/zinc/78/16/41/567781641.db2.gz CKERGNMJSGURIU-IUCAKERBSA-N 0 1 386.271 3.246 20 0 GGADMN COc1cc(CN[C@@H](C)CC(=O)N2CCCCCC2)c(Br)cc1O ZINC000647362229 567781680 /nfs/dbraw/zinc/78/16/80/567781680.db2.gz YFTJTBHAKYMMAZ-ZDUSSCGKSA-N 0 1 399.329 3.434 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C(=O)[O-] ZINC000647368069 567782052 /nfs/dbraw/zinc/78/20/52/567782052.db2.gz RVJNAIYJEAFTQG-BLLLJJGKSA-N 0 1 390.281 3.449 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cn1C ZINC000443972887 567783168 /nfs/dbraw/zinc/78/31/68/567783168.db2.gz XWKYCOZKGVTJCB-LBPRGKRZSA-N 0 1 385.770 3.103 20 0 GGADMN O[C@H](CNCc1ccc2c(n1)CCCC2)COc1cccc(Br)c1 ZINC000574512765 567783424 /nfs/dbraw/zinc/78/34/24/567783424.db2.gz WRBNSDOWAFLIFZ-QGZVFWFLSA-N 0 1 391.309 3.252 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc2[nH]nnc2c1 ZINC000533716298 567784068 /nfs/dbraw/zinc/78/40/68/567784068.db2.gz GWHNOJMOGHUZAI-VIFPVBQESA-N 0 1 377.217 3.221 20 0 GGADMN O[C@@H](COc1cc(F)cc(Br)c1)CN1CCc2ccccc2C1 ZINC000533709100 567784134 /nfs/dbraw/zinc/78/41/34/567784134.db2.gz ZLSHBDKNQLFMKN-QGZVFWFLSA-N 0 1 380.257 3.386 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1cccc(OC(F)(F)F)c1 ZINC000555428059 567784345 /nfs/dbraw/zinc/78/43/45/567784345.db2.gz DBKASYFCYFSSKN-UHFFFAOYSA-N 0 1 384.282 3.382 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1ccc(OC(F)F)c(F)c1 ZINC000555428244 567784399 /nfs/dbraw/zinc/78/43/99/567784399.db2.gz MSOZAKPASHTKQM-UHFFFAOYSA-N 0 1 384.282 3.224 20 0 GGADMN OC[C@H](CNCc1ncc(Br)s1)Cc1cc(F)c(F)c(F)c1 ZINC000443983857 567784478 /nfs/dbraw/zinc/78/44/78/567784478.db2.gz FKMUSPYZLMOAMB-VIFPVBQESA-N 0 1 395.244 3.264 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(Br)c2F)C[C@@H](C)O1 ZINC000667925162 567784618 /nfs/dbraw/zinc/78/46/18/567784618.db2.gz MSOOZLTVHCNILO-VXGBXAGGSA-N 0 1 388.281 3.209 20 0 GGADMN O=C(COc1ccccc1Br)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000555515436 567787299 /nfs/dbraw/zinc/78/72/99/567787299.db2.gz ABIRYACOKVLQJX-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN CO[C@@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)C(C)(C)C ZINC000533801888 567787418 /nfs/dbraw/zinc/78/74/18/567787418.db2.gz WZAFJSJQJHUTSB-LBPRGKRZSA-N 0 1 386.258 3.067 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc(Br)c2)s1 ZINC000444060904 567787721 /nfs/dbraw/zinc/78/77/21/567787721.db2.gz XTEMMJOVTRVONH-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000444069499 567788622 /nfs/dbraw/zinc/78/86/22/567788622.db2.gz HXSARFNERYPPGC-DOTOQJQBSA-N 0 1 376.547 3.350 20 0 GGADMN COC[C@@H](C)OC[C@@H](O)CNCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000574631304 567789058 /nfs/dbraw/zinc/78/90/58/567789058.db2.gz DMLLNSDGBCWZDZ-WBMJQRKESA-N 0 1 384.929 3.274 20 0 GGADMN CCNC(=O)[C@@H](NCc1cc(Br)ccc1OC(F)F)C(C)C ZINC000555567681 567789210 /nfs/dbraw/zinc/78/92/10/567789210.db2.gz BCRQWIUEZLEXRN-ZDUSSCGKSA-N 0 1 379.245 3.301 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2ccc(F)c(Br)c2F)n[nH]1 ZINC000668038410 567792046 /nfs/dbraw/zinc/79/20/46/567792046.db2.gz VQYCWCROUGPLDC-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN CSc1cc(Br)ccc1CN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000574724985 567793128 /nfs/dbraw/zinc/79/31/28/567793128.db2.gz BIWXXIAOEHTZBQ-BBRMVZONSA-N 0 1 385.371 3.466 20 0 GGADMN C[C@@H]1CCC[C@]1(O)CNCc1c(F)ccc(I)c1F ZINC000555638271 567793454 /nfs/dbraw/zinc/79/34/54/567793454.db2.gz VFEZNAFTVISXLR-OTYXRUKQSA-N 0 1 381.204 3.210 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)CCOc1cccc(Br)c1 ZINC000647633120 567795196 /nfs/dbraw/zinc/79/51/96/567795196.db2.gz WEKDYQBWLWAIOX-INIZCTEOSA-N 0 1 393.281 3.043 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccccc1SC)c1ccc(C)c(C)c1 ZINC000444201167 567795884 /nfs/dbraw/zinc/79/58/84/567795884.db2.gz TVSUZRCHDVZQOZ-QGZVFWFLSA-N 0 1 379.503 3.218 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000647666459 567795968 /nfs/dbraw/zinc/79/59/68/567795968.db2.gz OHRCHENTOHBRJY-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000444195828 567796365 /nfs/dbraw/zinc/79/63/65/567796365.db2.gz LEGSZPPQUOXKSM-DOTOQJQBSA-N 0 1 376.547 3.207 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccccc1SC)c1cc(C)cc(C)c1 ZINC000444193840 567796377 /nfs/dbraw/zinc/79/63/77/567796377.db2.gz IMJJYBPPBAYUNO-QGZVFWFLSA-N 0 1 379.503 3.218 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000444195829 567796678 /nfs/dbraw/zinc/79/66/78/567796678.db2.gz LEGSZPPQUOXKSM-NVXWUHKLSA-N 0 1 376.547 3.207 20 0 GGADMN OC[C@@]1([C@H](NCc2nc3ccc(Br)cc3o2)C2CC2)CCCO1 ZINC000555759899 567797068 /nfs/dbraw/zinc/79/70/68/567797068.db2.gz WJYVCMFYURSSFK-IAGOWNOFSA-N 0 1 381.270 3.000 20 0 GGADMN OC[C@]1([C@@H](NCc2nc3ccc(Br)cc3o2)C2CC2)CCCO1 ZINC000555759900 567797492 /nfs/dbraw/zinc/79/74/92/567797492.db2.gz WJYVCMFYURSSFK-IRXDYDNUSA-N 0 1 381.270 3.000 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000647706982 567798110 /nfs/dbraw/zinc/79/81/10/567798110.db2.gz UOAHTHLXKMGKKV-FPMFFAJLSA-N 0 1 389.348 3.142 20 0 GGADMN CN(Cc1n[nH]c(=O)o1)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000647695698 567798144 /nfs/dbraw/zinc/79/81/44/567798144.db2.gz LQRLPTSAUUFXQB-UHFFFAOYSA-N 0 1 375.734 3.138 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000598933927 567798759 /nfs/dbraw/zinc/79/87/59/567798759.db2.gz MKYPIPQFWPLLOL-UFBFGSQYSA-N 0 1 396.232 3.022 20 0 GGADMN Cn1cc(-c2n[nH]cc2C(=O)Nc2cc(Cl)cc(Br)c2O)cn1 ZINC000444259341 567799145 /nfs/dbraw/zinc/79/91/45/567799145.db2.gz KHYDATXHRXBYJV-UHFFFAOYSA-N 0 1 396.632 3.184 20 0 GGADMN C[N@H+](Cc1cc(Br)c([O-])c(Br)c1)C[C@@H](O)C1CC1 ZINC000668167174 567799431 /nfs/dbraw/zinc/79/94/31/567799431.db2.gz VUPXAHGMYQOMNI-GFCCVEGCSA-N 0 1 379.092 3.120 20 0 GGADMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)nn1-c1ccc(Cl)cc1Cl ZINC000647735963 567799859 /nfs/dbraw/zinc/79/98/59/567799859.db2.gz UAGODOMGHUEWEH-UHFFFAOYSA-N 0 1 376.247 3.409 20 0 GGADMN COc1cnc(NS(=O)(=O)c2ccc(Cl)s2)c(Br)c1 ZINC000574840752 567800075 /nfs/dbraw/zinc/80/00/75/567800075.db2.gz VIJOTYDAXATTJZ-UHFFFAOYSA-N 0 1 383.676 3.368 20 0 GGADMN O=S(=O)(N[C@@H](C1CC1)C(F)(F)F)c1ccc(F)cc1Br ZINC000574840424 567800278 /nfs/dbraw/zinc/80/02/78/567800278.db2.gz RTNYOUVXYZNICS-JTQLQIEISA-N 0 1 376.169 3.207 20 0 GGADMN C[C@@H]1COCCN1C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000647764218 567800900 /nfs/dbraw/zinc/80/09/00/567800900.db2.gz TZJUTSOKZKNQRA-CYBMUJFWSA-N 0 1 387.307 3.084 20 0 GGADMN C[C@@H]1CSCCN1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000534139954 567801195 /nfs/dbraw/zinc/80/11/95/567801195.db2.gz SMSATMOZFNKXPO-CRAIPNDOSA-N 0 1 381.973 3.030 20 0 GGADMN C[N@H+]1CC[C@@H]2CN(Cc3cc(Br)c([O-])c(Br)c3)C[C@@H]21 ZINC000668217982 567801609 /nfs/dbraw/zinc/80/16/09/567801609.db2.gz ZXDLMYALDQNURG-MFKMUULPSA-N 0 1 390.119 3.053 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Cl)cc(Br)c2F)n[nH]1 ZINC000444323298 567801706 /nfs/dbraw/zinc/80/17/06/567801706.db2.gz XYQBAOXEXXVXEM-ZCFIWIBFSA-N 0 1 375.629 3.413 20 0 GGADMN O=C(CCOc1cccc(Br)c1)Nc1n[nH]c2cc(O)ccc21 ZINC000647801750 567801672 /nfs/dbraw/zinc/80/16/72/567801672.db2.gz TVUNCVMBSMXVCI-UHFFFAOYSA-N 0 1 376.210 3.439 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000574884012 567801756 /nfs/dbraw/zinc/80/17/56/567801756.db2.gz KZCNSRKZRMRZNP-KRWDZBQOSA-N 0 1 394.269 3.110 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000574884012 567801759 /nfs/dbraw/zinc/80/17/59/567801759.db2.gz KZCNSRKZRMRZNP-KRWDZBQOSA-N 0 1 394.269 3.110 20 0 GGADMN O=C(Nc1n[nH]c2cc(O)ccc21)C1=Cc2cc(Br)ccc2OC1 ZINC000647799949 567802173 /nfs/dbraw/zinc/80/21/73/567802173.db2.gz LMRVJGIZJCYIDI-UHFFFAOYSA-N 0 1 386.205 3.446 20 0 GGADMN COc1cccc(N2C[C@H](N[C@H](C)c3ccc(Br)cn3)CC2=O)c1 ZINC000574885928 567802241 /nfs/dbraw/zinc/80/22/41/567802241.db2.gz ALSQHMNRRYZFBL-TZMCWYRMSA-N 0 1 390.281 3.309 20 0 GGADMN CCn1ccc(C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)n1 ZINC000668238202 567802417 /nfs/dbraw/zinc/80/24/17/567802417.db2.gz JYZVQSQSLOLFOV-UHFFFAOYSA-N 0 1 389.091 3.423 20 0 GGADMN CC(=O)Nc1nc(C(=O)Nc2cc(Br)cc(Cl)c2O)cs1 ZINC000534205800 567803025 /nfs/dbraw/zinc/80/30/25/567803025.db2.gz BECJDFWOZCMWME-UHFFFAOYSA-N 0 1 390.646 3.475 20 0 GGADMN O=C(c1ccc(Br)c2c1OCCC2)N1CCCC[C@H]1c1nnc[nH]1 ZINC000574899097 567803223 /nfs/dbraw/zinc/80/32/23/567803223.db2.gz MZTAMHIWIAPREK-AWEZNQCLSA-N 0 1 391.269 3.260 20 0 GGADMN CC(C)(C)N1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC1=O ZINC000534207530 567803449 /nfs/dbraw/zinc/80/34/49/567803449.db2.gz QEBGHUURMPMVSM-QMMMGPOBSA-N 0 1 389.677 3.394 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(N2CCCC2)nn1 ZINC000534205791 567803462 /nfs/dbraw/zinc/80/34/62/567803462.db2.gz AJUYPVKGWWGPDC-UHFFFAOYSA-N 0 1 397.660 3.451 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCc2ccc(Br)cc2)n[nH]1 ZINC000534225397 567804346 /nfs/dbraw/zinc/80/43/46/567804346.db2.gz KMMMJKYWZOSUGX-LLVKDONJSA-N 0 1 380.290 3.294 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Br)cc1F ZINC000534262889 567804503 /nfs/dbraw/zinc/80/45/03/567804503.db2.gz FDQZXYGGMVCCIA-UHFFFAOYSA-N 0 1 395.276 3.180 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCCc2ccc(Br)s2)n[nH]1 ZINC000534258082 567804541 /nfs/dbraw/zinc/80/45/41/567804541.db2.gz MZADDDBDPQAVPG-VIFPVBQESA-N 0 1 386.319 3.355 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Br)cn2)cc1 ZINC000534241245 567804772 /nfs/dbraw/zinc/80/47/72/567804772.db2.gz CNMGTDVOWZIWQJ-UHFFFAOYSA-N 0 1 387.255 3.052 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444389077 567804878 /nfs/dbraw/zinc/80/48/78/567804878.db2.gz NJQFZXHJHGIPMC-QWHCGFSZSA-N 0 1 389.323 3.064 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCc2ccc(Br)s2)n[nH]1 ZINC000534258081 567804986 /nfs/dbraw/zinc/80/49/86/567804986.db2.gz MZADDDBDPQAVPG-SECBINFHSA-N 0 1 386.319 3.355 20 0 GGADMN Cc1c(Br)cncc1CN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000668276269 567805273 /nfs/dbraw/zinc/80/52/73/567805273.db2.gz JDXVGQFAQADKKM-INIZCTEOSA-N 0 1 388.309 3.291 20 0 GGADMN C[C@H](CNCc1cn(-c2ccccc2Cl)nc1C(C)(C)C)S(C)(=O)=O ZINC000534268920 567805639 /nfs/dbraw/zinc/80/56/39/567805639.db2.gz BCWQSAOKNCUVRI-CYBMUJFWSA-N 0 1 383.945 3.346 20 0 GGADMN CCOC(=O)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1O ZINC000534284218 567806100 /nfs/dbraw/zinc/80/61/00/567806100.db2.gz KXYVUYUOISAAHU-UHFFFAOYSA-N 0 1 392.249 3.360 20 0 GGADMN O=S(=O)(Nc1ccc2oc(CO)cc2c1)c1ccccc1Br ZINC000647918967 567806730 /nfs/dbraw/zinc/80/67/30/567806730.db2.gz FTUIJKJLJNJYBR-UHFFFAOYSA-N 0 1 382.235 3.488 20 0 GGADMN CC(C)[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H](O)C(F)(F)F ZINC000647931540 567807046 /nfs/dbraw/zinc/80/70/46/567807046.db2.gz HXLJEMQMJSRCFS-SNPRPXQTSA-N 0 1 378.822 3.373 20 0 GGADMN O[C@H](CN[C@H]1COc2cc(F)c(Br)cc21)COCc1ccccc1 ZINC000574983342 567807218 /nfs/dbraw/zinc/80/72/18/567807218.db2.gz DVRDZFYHIXAOOI-DYVFJYSZSA-N 0 1 396.256 3.189 20 0 GGADMN Cc1cc2cc(NS(=O)(=O)c3ccccc3Br)ccc2[nH]c1=O ZINC000647919637 567807211 /nfs/dbraw/zinc/80/72/11/567807211.db2.gz IPWKBPILKXRWDC-UHFFFAOYSA-N 0 1 393.262 3.400 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CC[C@@H](c3nccn3C)C2)ccc1Br ZINC000534309473 567807313 /nfs/dbraw/zinc/80/73/13/567807313.db2.gz TYCOZTOIVGAISM-ZIAGYGMSSA-N 0 1 391.313 3.308 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444546139 567807413 /nfs/dbraw/zinc/80/74/13/567807413.db2.gz HMRAFTFZIXOWRL-ZIAGYGMSSA-N 0 1 387.351 3.476 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](c3nccn3C)C2)ccc1Br ZINC000534309471 567807677 /nfs/dbraw/zinc/80/76/77/567807677.db2.gz TYCOZTOIVGAISM-KGLIPLIRSA-N 0 1 391.313 3.308 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574995583 567807811 /nfs/dbraw/zinc/80/78/11/567807811.db2.gz HAXUIKGQCHKGAB-FZMZJTMJSA-N 0 1 379.258 3.137 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574995583 567807813 /nfs/dbraw/zinc/80/78/13/567807813.db2.gz HAXUIKGQCHKGAB-FZMZJTMJSA-N 0 1 379.258 3.137 20 0 GGADMN CC(C)[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H](O)C(F)(F)F ZINC000647931625 567807802 /nfs/dbraw/zinc/80/78/02/567807802.db2.gz WZNSBXCVOWEFGH-RDBSUJKOSA-N 0 1 382.785 3.122 20 0 GGADMN CN(CCOc1ccccc1Cl)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000647954781 567808272 /nfs/dbraw/zinc/80/82/72/567808272.db2.gz AXFOTOXDGMEGCB-UHFFFAOYSA-N 0 1 389.304 3.152 20 0 GGADMN Clc1cccc(-n2cc(CNCCCOC[C@@H]3CCOC3)nn2)c1Cl ZINC000534354462 567808447 /nfs/dbraw/zinc/80/84/47/567808447.db2.gz SQDANNLEQXMYIB-ZDUSSCGKSA-N 0 1 385.295 3.107 20 0 GGADMN O=C(Cc1cc[nH]c(=O)c1Br)Nc1cc(Cl)c(O)cc1F ZINC000575012570 567808736 /nfs/dbraw/zinc/80/87/36/567808736.db2.gz OUIAVUGHQSHPBL-UHFFFAOYSA-N 0 1 375.581 3.229 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN[C@@](C)(CO)c1ccccc1 ZINC000599170203 567808675 /nfs/dbraw/zinc/80/86/75/567808675.db2.gz IMCYPLXOCZPTDS-IBGZPJMESA-N 0 1 381.303 3.449 20 0 GGADMN NC(=O)CCSc1ccccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534401167 567810082 /nfs/dbraw/zinc/81/00/82/567810082.db2.gz GHSWDAGLLKMLIY-UHFFFAOYSA-N 0 1 388.873 3.247 20 0 GGADMN O=C(CCc1cc(Cl)ccc1Br)N1CC[C@H](c2nc[nH]n2)C1 ZINC000575054088 567810501 /nfs/dbraw/zinc/81/05/01/567810501.db2.gz KXQCZVANGPJTDO-NSHDSACASA-N 0 1 383.677 3.169 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(OC(F)F)ccc2Br)[C@H]1OC ZINC000648024050 567810913 /nfs/dbraw/zinc/81/09/13/567810913.db2.gz YGYRMOZUTUCYMT-MGPQQGTHSA-N 0 1 380.229 3.333 20 0 GGADMN COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000575065452 567811474 /nfs/dbraw/zinc/81/14/74/567811474.db2.gz LGNGHIFSJNQMQX-PWSUYJOCSA-N 0 1 378.416 3.364 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000534441940 567812340 /nfs/dbraw/zinc/81/23/40/567812340.db2.gz SWCHJEOHTGGBKU-CCYWUUKESA-N 0 1 379.551 3.149 20 0 GGADMN O=C(Nc1nc(-c2ccsc2)ns1)C(C[C@H]1COCCO1)C(F)(F)F ZINC000668502910 567812532 /nfs/dbraw/zinc/81/25/32/567812532.db2.gz GKLDHJISJDKVRR-UWVGGRQHSA-N 0 1 393.412 3.189 20 0 GGADMN O=C(Nc1nc(-c2ccsc2)ns1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000668502902 567812619 /nfs/dbraw/zinc/81/26/19/567812619.db2.gz GKLDHJISJDKVRR-NXEZZACHSA-N 0 1 393.412 3.189 20 0 GGADMN Cc1cc(Br)cc(CN(C)C[C@@H]2COCCO2)c1OC(F)F ZINC000668545456 567812997 /nfs/dbraw/zinc/81/29/97/567812997.db2.gz ROKQFNNROCINKW-CYBMUJFWSA-N 0 1 380.229 3.206 20 0 GGADMN O=C1CC[C@H]2CN(Cc3cc(OC(F)F)ccc3Br)CC[C@H]2N1 ZINC000668544025 567813203 /nfs/dbraw/zinc/81/32/03/567813203.db2.gz HILQUGCWOATMNU-IINYFYTJSA-N 0 1 389.240 3.151 20 0 GGADMN CCCOc1c(Br)cc(CN(C)C[C@H]2COCCO2)cc1OC ZINC000668541411 567813272 /nfs/dbraw/zinc/81/32/72/567813272.db2.gz GIERZCITKPAMFK-AWEZNQCLSA-N 0 1 388.302 3.094 20 0 GGADMN CN(Cc1cc(Br)cc(Br)c1)C[C@@H]1COCCO1 ZINC000668547542 567813396 /nfs/dbraw/zinc/81/33/96/567813396.db2.gz UYSUVXRXZOOGEY-CYBMUJFWSA-N 0 1 379.092 3.059 20 0 GGADMN O=S(=O)(N[C@@H](CO)CC(F)(F)F)c1c(Cl)cc(Cl)cc1Cl ZINC000534512044 567813466 /nfs/dbraw/zinc/81/34/66/567813466.db2.gz MCJQNDBXPOVAKC-ZCFIWIBFSA-N 0 1 386.606 3.238 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000648101971 567813639 /nfs/dbraw/zinc/81/36/39/567813639.db2.gz MEMCUYAJAUEMQV-QGZVFWFLSA-N 0 1 377.257 3.481 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(OCCO)CC1)c1ccc(Cl)cc1Cl ZINC000534515492 567813627 /nfs/dbraw/zinc/81/36/27/567813627.db2.gz GTRMCCQSXDIYNX-OLZOCXBDSA-N 0 1 389.323 3.032 20 0 GGADMN CCN(CCCO)Cc1coc(-c2ccc(I)cc2)n1 ZINC000534551689 567814281 /nfs/dbraw/zinc/81/42/81/567814281.db2.gz UJUDLZWVSZGYSK-UHFFFAOYSA-N 0 1 386.233 3.151 20 0 GGADMN Cn1ccnc1[C@@H]1CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000534579511 567814639 /nfs/dbraw/zinc/81/46/39/567814639.db2.gz SHPLHGQGXUQEDU-GFCCVEGCSA-N 0 1 388.269 3.222 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(C)=O)c(C)c2)c1 ZINC000534614167 567815014 /nfs/dbraw/zinc/81/50/14/567815014.db2.gz LMIQCPHQSIVCLK-UHFFFAOYSA-N 0 1 381.837 3.438 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccsc1 ZINC000534608317 567815064 /nfs/dbraw/zinc/81/50/64/567815064.db2.gz CADHJZWTXAWLQP-CABCVRRESA-N 0 1 395.322 3.406 20 0 GGADMN Cn1nc2cc(Br)ccc2c1C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000648177863 567815073 /nfs/dbraw/zinc/81/50/73/567815073.db2.gz YNZGVVWDWNQFAG-QGZVFWFLSA-N 0 1 399.292 3.123 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccnc2N2CCCC2)N(C)C)c1 ZINC000048171695 570220125 /nfs/dbraw/zinc/22/01/25/570220125.db2.gz SMFBTSBRBOFSID-LJQANCHMSA-N 0 1 383.496 3.115 20 0 GGADMN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000048289723 570228963 /nfs/dbraw/zinc/22/89/63/570228963.db2.gz QZVMSHQCAZCRTB-VQTJNVASSA-N 0 1 388.508 3.166 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000048368035 570248033 /nfs/dbraw/zinc/24/80/33/570248033.db2.gz KAPSTXUETDDQJW-QFIPXVFZSA-N 0 1 395.503 3.034 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)NCCCc3ccccc3)n2)cc1 ZINC000006154705 570277925 /nfs/dbraw/zinc/27/79/25/570277925.db2.gz VGWRYEUQSMDTCL-UHFFFAOYSA-N 0 1 382.489 3.321 20 0 biogenic GGADMN CCOc1ccc(CN2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000021476371 570291632 /nfs/dbraw/zinc/29/16/32/570291632.db2.gz VRZXBOSBUXABCE-UHFFFAOYSA-N 0 1 390.487 3.433 20 0 GGADMN COc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022610916 570323088 /nfs/dbraw/zinc/32/30/88/570323088.db2.gz JPMNKIQFIZUJER-UHFFFAOYSA-N 0 1 384.476 3.061 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc(F)c1 ZINC000022683079 570324554 /nfs/dbraw/zinc/32/45/54/570324554.db2.gz GTFJWEKYCMFMMM-RTWAWAEBSA-N 0 1 386.467 3.416 20 0 GGADMN CC(C)c1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000022771411 570326686 /nfs/dbraw/zinc/32/66/86/570326686.db2.gz UARVWKVPQCXJTA-UHFFFAOYSA-N 0 1 376.504 3.364 20 0 GGADMN Cc1cccc(CN2CCN(Cn3nc(-c4ccncc4)n(C)c3=S)CC2)c1 ZINC000022815691 570329928 /nfs/dbraw/zinc/32/99/28/570329928.db2.gz QOTIWJRPWCYIKO-UHFFFAOYSA-N 0 1 394.548 3.097 20 0 GGADMN Cc1cccc(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c1 ZINC000022913965 570334833 /nfs/dbraw/zinc/33/48/33/570334833.db2.gz NAPOCQXIGLOTGH-UHFFFAOYSA-N 0 1 382.895 3.203 20 0 GGADMN O=C(CNC(=O)c1ccccc1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023055334 570342495 /nfs/dbraw/zinc/34/24/95/570342495.db2.gz NFXIDYHIQDOIJM-QFIPXVFZSA-N 0 1 384.439 3.199 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023387070 570360107 /nfs/dbraw/zinc/36/01/07/570360107.db2.gz CRHCMSLIECPXFZ-FQEVSTJZSA-N 0 1 390.911 3.048 20 0 GGADMN Cc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)[nH]c2c1 ZINC000006292297 570363706 /nfs/dbraw/zinc/36/37/06/570363706.db2.gz GNLQAJDHKDIHBV-UHFFFAOYSA-N 0 1 380.473 3.494 20 0 GGADMN COc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000237462089 570369355 /nfs/dbraw/zinc/36/93/55/570369355.db2.gz UTEVOXNNCXXQDS-HOTGVXAUSA-N 0 1 386.467 3.374 20 0 GGADMN Cc1cccc(CN2CCN(C(=O)NC[C@H](c3ccco3)N3CCCC3)CC2)c1 ZINC000023717679 570370153 /nfs/dbraw/zinc/37/01/53/570370153.db2.gz TYXUECYFVCKMFU-OAQYLSRUSA-N 0 1 396.535 3.252 20 0 GGADMN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000008378232 570376119 /nfs/dbraw/zinc/37/61/19/570376119.db2.gz DAQZMSFKIQHEMD-UHFFFAOYSA-N 0 1 386.408 3.128 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(Cc2ccccn2)CC1 ZINC000024579578 570386282 /nfs/dbraw/zinc/38/62/82/570386282.db2.gz VRDMARSJNVEFRA-UHFFFAOYSA-N 0 1 381.867 3.083 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000024758831 570391863 /nfs/dbraw/zinc/39/18/63/570391863.db2.gz OOLPYQGXUGFLHU-QZTJIDSGSA-N 0 1 395.503 3.168 20 0 GGADMN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCc1cccc(Cl)c1 ZINC000024838687 570395698 /nfs/dbraw/zinc/39/56/98/570395698.db2.gz XDFUQOBALZBQCM-QGZVFWFLSA-N 0 1 385.895 3.307 20 0 GGADMN Cc1cc(=O)n2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)sc2n1 ZINC000025139167 570406455 /nfs/dbraw/zinc/40/64/55/570406455.db2.gz TUPJEVUXESXXCS-ZDUSSCGKSA-N 0 1 397.529 3.449 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](c3ccsc3)N(C)C)c12 ZINC000025331960 570411427 /nfs/dbraw/zinc/41/14/27/570411427.db2.gz XHCYBPXUKFJQME-QGZVFWFLSA-N 0 1 383.521 3.248 20 0 GGADMN COc1ccc(-c2nnc(CN3CCN(CCc4ccccc4)CC3)o2)cc1 ZINC000025355969 570411892 /nfs/dbraw/zinc/41/18/92/570411892.db2.gz AKVJZVQIDOIRRJ-UHFFFAOYSA-N 0 1 378.476 3.106 20 0 GGADMN O=C(CN1CCC[C@@H]1Cc1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000025359856 570412046 /nfs/dbraw/zinc/41/20/46/570412046.db2.gz CQCOWUIEMUNHOK-HXUWFJFHSA-N 0 1 377.488 3.459 20 0 GGADMN COc1ccccc1N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000025562764 570415930 /nfs/dbraw/zinc/41/59/30/570415930.db2.gz WUMGZMNAXBWRKU-OFNKIYASSA-N 0 1 396.531 3.272 20 0 GGADMN COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000025562761 570415966 /nfs/dbraw/zinc/41/59/66/570415966.db2.gz WUMGZMNAXBWRKU-NZQKXSOJSA-N 0 1 396.531 3.272 20 0 GGADMN COc1ccccc1N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000025562767 570416080 /nfs/dbraw/zinc/41/60/80/570416080.db2.gz WUMGZMNAXBWRKU-REWPJTCUSA-N 0 1 396.531 3.272 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN3CCC[C@H]3C(=O)NCc3ccco3)cc2)n1 ZINC000026134937 570422674 /nfs/dbraw/zinc/42/26/74/570422674.db2.gz JSIYJBZLEQJFCN-NRFANRHFSA-N 0 1 378.476 3.363 20 0 GGADMN O=C(c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c[nH]1)N1CCCC1 ZINC000026529020 570426618 /nfs/dbraw/zinc/42/66/18/570426618.db2.gz BQZXHYQPVVPTFK-UHFFFAOYSA-N 0 1 387.383 3.070 20 0 GGADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(F)cc(F)c1 ZINC000247963512 570432338 /nfs/dbraw/zinc/43/23/38/570432338.db2.gz GMPKVJWGMUFYQW-IEBWSBKVSA-N 0 1 378.444 3.270 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(F)cc(F)c1 ZINC000247963512 570432343 /nfs/dbraw/zinc/43/23/43/570432343.db2.gz GMPKVJWGMUFYQW-IEBWSBKVSA-N 0 1 378.444 3.270 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000027336363 570433362 /nfs/dbraw/zinc/43/33/62/570433362.db2.gz XRQWHMVNYBHZFO-PMACEKPBSA-N 0 1 384.476 3.404 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000027590734 570437417 /nfs/dbraw/zinc/43/74/17/570437417.db2.gz NAWFLTCIXOAGSP-NHCUHLMSSA-N 0 1 386.467 3.416 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000029369371 570472570 /nfs/dbraw/zinc/47/25/70/570472570.db2.gz OPRRCHMYCUUDKO-UHFFFAOYSA-N 0 1 396.516 3.043 20 0 GGADMN COc1ccc(NC(=O)c2nnc(CSc3nc(C4CC4)n[nH]3)s2)cc1 ZINC000029395612 570473208 /nfs/dbraw/zinc/47/32/08/570473208.db2.gz XDZSZOIFEFYWQK-UHFFFAOYSA-N 0 1 388.478 3.087 20 0 GGADMN COc1ccc(NC(=O)c2nnc(CSc3n[nH]c(C4CC4)n3)s2)cc1 ZINC000029395612 570473212 /nfs/dbraw/zinc/47/32/12/570473212.db2.gz XDZSZOIFEFYWQK-UHFFFAOYSA-N 0 1 388.478 3.087 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CCc2ccccc21 ZINC000029485915 570474846 /nfs/dbraw/zinc/47/48/46/570474846.db2.gz OGRKHIWOJGIWSK-SFHVURJKSA-N 0 1 381.867 3.479 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000029837850 570481282 /nfs/dbraw/zinc/48/12/82/570481282.db2.gz QRJAWZPYHCYMPT-LJQANCHMSA-N 0 1 383.471 3.492 20 0 GGADMN Cc1cccc(OCCCC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)c1 ZINC000072295377 570503214 /nfs/dbraw/zinc/50/32/14/570503214.db2.gz UVJIZZTXAMECCR-NRFANRHFSA-N 0 1 395.547 3.481 20 0 GGADMN COc1cccc(NC(=O)CCN2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000033933164 570515053 /nfs/dbraw/zinc/51/50/53/570515053.db2.gz YPLSGSOAWSAZAP-TWGQIWQCSA-N 0 1 379.504 3.355 20 0 GGADMN C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nnc[nH]1 ZINC000072306695 570523741 /nfs/dbraw/zinc/52/37/41/570523741.db2.gz UAEHGCXLFPBWSH-MRVPVSSYSA-N 0 1 384.749 3.154 20 0 GGADMN CCN(Cc1cccs1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000225799397 570618712 /nfs/dbraw/zinc/61/87/12/570618712.db2.gz FKDZKWPMGPVGPJ-SFHVURJKSA-N 0 1 388.537 3.128 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 ZINC000036392441 570675817 /nfs/dbraw/zinc/67/58/17/570675817.db2.gz QYHZGBBCFLJJNE-UHFFFAOYSA-N 0 1 387.461 3.318 20 0 GGADMN CCOc1nc2cc(C(=O)NC[C@@H](c3cccc(OC)c3)N(C)C)ccc2[nH]1 ZINC000241157248 570685908 /nfs/dbraw/zinc/68/59/08/570685908.db2.gz JWDOQNCZOAEXPB-IBGZPJMESA-N 0 1 382.464 3.003 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c(F)c1 ZINC000241911271 570687891 /nfs/dbraw/zinc/68/78/91/570687891.db2.gz UBCVMWFQYVOOTK-UHFFFAOYSA-N 0 1 392.452 3.261 20 0 GGADMN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c[nH]c3ccccc3c2=O)c(C)c1 ZINC000032688747 570740766 /nfs/dbraw/zinc/74/07/66/570740766.db2.gz JOGWPXFKVHIHEH-UHFFFAOYSA-N 0 1 377.444 3.164 20 0 GGADMN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000032730618 570776675 /nfs/dbraw/zinc/77/66/75/570776675.db2.gz WGIXYXMGVUFQNG-YWZLYKJASA-N 0 1 381.451 3.060 20 0 GGADMN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000032730620 570776852 /nfs/dbraw/zinc/77/68/52/570776852.db2.gz WGIXYXMGVUFQNG-QRWLVFNGSA-N 0 1 381.451 3.060 20 0 GGADMN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC000032729204 570776902 /nfs/dbraw/zinc/77/69/02/570776902.db2.gz YOQQHVYFFRCRJJ-SFHVURJKSA-N 0 1 393.503 3.192 20 0 GGADMN COc1ccc2nc(S[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)[nH]c2c1 ZINC000007096883 570788421 /nfs/dbraw/zinc/78/84/21/570788421.db2.gz SMVRVRUQSOQLMO-OAHLLOKOSA-N 0 1 396.516 3.401 20 0 GGADMN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000005678306 570801779 /nfs/dbraw/zinc/80/17/79/570801779.db2.gz CBBUUEDWWGJARH-KRWDZBQOSA-N 0 1 398.463 3.019 20 0 GGADMN CCC(CC)[C@H](CNC(=O)NCCc1c[nH]c2ccccc12)N1CCOCC1 ZINC000036744432 570806029 /nfs/dbraw/zinc/80/60/29/570806029.db2.gz VJXXEAMTHWBHRX-NRFANRHFSA-N 0 1 386.540 3.147 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1ccc(F)c(F)c1 ZINC000102137656 570841725 /nfs/dbraw/zinc/84/17/25/570841725.db2.gz BZBQRWHHFGAULM-UHFFFAOYSA-N 0 1 381.404 3.073 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000037210725 570848463 /nfs/dbraw/zinc/84/84/63/570848463.db2.gz HNAANMDNEQJURO-ZWKOTPCHSA-N 0 1 377.492 3.480 20 0 GGADMN Cc1nc(C(=O)NC[C@H](c2cccs2)N2CCCC2)nn1-c1ccc(F)cc1 ZINC000032841497 570850007 /nfs/dbraw/zinc/85/00/07/570850007.db2.gz ABLJFEYLMBZSJT-QGZVFWFLSA-N 0 1 399.495 3.343 20 0 GGADMN Cc1ccc([C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C2CC2)cc1 ZINC000102603411 570853586 /nfs/dbraw/zinc/85/35/86/570853586.db2.gz ZXUYWZJZXOXHBY-SFHVURJKSA-N 0 1 379.485 3.412 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc3[nH]c(=O)oc3c1)O[C@@H](C)C2 ZINC000032869174 570862506 /nfs/dbraw/zinc/86/25/06/570862506.db2.gz WOHCLLLWCNPRLV-JTQLQIEISA-N 0 1 390.417 3.056 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(C)=O)c1)O[C@@H](C)C2 ZINC000012560636 570864982 /nfs/dbraw/zinc/86/49/82/570864982.db2.gz LLEXZXSFEXFCJE-LBPRGKRZSA-N 0 1 375.446 3.412 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(C)=O)c1)O[C@H](C)C2 ZINC000012560635 570865295 /nfs/dbraw/zinc/86/52/95/570865295.db2.gz LLEXZXSFEXFCJE-GFCCVEGCSA-N 0 1 375.446 3.412 20 0 GGADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)Nc1cccc2[nH]ccc21 ZINC000170609716 570865992 /nfs/dbraw/zinc/86/59/92/570865992.db2.gz NWQMXPTUMCFOBR-SFHVURJKSA-N 0 1 378.476 3.446 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2[nH]c1=S ZINC000103013337 570873081 /nfs/dbraw/zinc/87/30/81/570873081.db2.gz IBFWBTNUSNJQCG-OAHLLOKOSA-N 0 1 379.485 3.072 20 0 GGADMN CCOC(=O)C(=C([O-])CSc1ncnc2ccccc21)c1nc(C)cs1 ZINC000103034725 570873514 /nfs/dbraw/zinc/87/35/14/570873514.db2.gz YRKBCIXGAQVZAM-OAHLLOKOSA-N 0 1 387.486 3.403 20 0 GGADMN C[C@H](C(=O)NCCC1=CCCCC1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015043349 570873691 /nfs/dbraw/zinc/87/36/91/570873691.db2.gz BNNKEGUIZKOYTA-QGZVFWFLSA-N 0 1 399.535 3.438 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)c(C)c1 ZINC000097117217 570897967 /nfs/dbraw/zinc/89/79/67/570897967.db2.gz PXLHNMBOXVXEGN-UHFFFAOYSA-N 0 1 375.425 3.188 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2O)cc1 ZINC000032904344 570902002 /nfs/dbraw/zinc/90/20/02/570902002.db2.gz QELXEAUUABFKDQ-UHFFFAOYSA-N 0 1 398.440 3.454 20 0 GGADMN CC(C)c1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccccn1 ZINC000032913851 570919708 /nfs/dbraw/zinc/91/97/08/570919708.db2.gz KDYGSKBSAABHLG-IBGZPJMESA-N 0 1 389.503 3.395 20 0 GGADMN CCn1c(=S)n(CN2CCN(C)C[C@@H]2c2ccccc2)nc1-c1ccncc1 ZINC000032935375 570947758 /nfs/dbraw/zinc/94/77/58/570947758.db2.gz SCASYEREJJBJQW-LJQANCHMSA-N 0 1 394.548 3.442 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000047450111 570957223 /nfs/dbraw/zinc/95/72/23/570957223.db2.gz IFHQKNOIKCMGKA-UHFFFAOYSA-N 0 1 376.504 3.418 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000043777164 570969219 /nfs/dbraw/zinc/96/92/19/570969219.db2.gz CDFAKDYQSIFFOW-UHFFFAOYSA-N 0 1 389.477 3.295 20 0 GGADMN C[C@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)N(C)c1ccccc1 ZINC000045984028 571007729 /nfs/dbraw/zinc/00/77/29/571007729.db2.gz HEEXPPPDOHNAGH-GOSISDBHSA-N 0 1 381.524 3.085 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1sccc1-c1nn[nH]n1 ZINC000738173056 598909934 /nfs/dbraw/zinc/90/99/34/598909934.db2.gz ANPYGLFEAVXRGK-UHFFFAOYSA-N 0 1 388.416 3.119 20 0 GGADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1SC(F)F ZINC000737301125 598930058 /nfs/dbraw/zinc/93/00/58/598930058.db2.gz HXXALPFZTLWOFF-UHFFFAOYSA-N 0 1 397.432 3.291 20 0 GGADMN CSc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000737189961 598931199 /nfs/dbraw/zinc/93/11/99/598931199.db2.gz IVDTYCUIFUEYGU-UHFFFAOYSA-N 0 1 395.897 3.351 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1)CC1CC1 ZINC000736471771 598945598 /nfs/dbraw/zinc/94/55/98/598945598.db2.gz WFWLPMZJLKPVCP-UHFFFAOYSA-N 0 1 399.543 3.461 20 0 GGADMN CCC[N@H+](CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1)CC1CC1 ZINC000736471771 598945599 /nfs/dbraw/zinc/94/55/99/598945599.db2.gz WFWLPMZJLKPVCP-UHFFFAOYSA-N 0 1 399.543 3.461 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2)C1CCC1 ZINC000735860834 598990209 /nfs/dbraw/zinc/99/02/09/598990209.db2.gz OYZKNRXFMONEIQ-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)CCC2CCCCC2)cc1-c1nn[nH]n1 ZINC000737186732 599108735 /nfs/dbraw/zinc/10/87/35/599108735.db2.gz LKQSBTKPJWDZFY-LLVKDONJSA-N 0 1 390.513 3.168 20 0 GGADMN O=C(CCCC1CCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822954731 599135617 /nfs/dbraw/zinc/13/56/17/599135617.db2.gz ASKCNELEABJKHK-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818385893 596901299 /nfs/dbraw/zinc/90/12/99/596901299.db2.gz XBCLUXITUJDXMH-AWEZNQCLSA-N 0 1 382.489 3.331 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818113190 596914709 /nfs/dbraw/zinc/91/47/09/596914709.db2.gz MMFKCGDMOPBVNE-OXQOHEQNSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000818090165 596918161 /nfs/dbraw/zinc/91/81/61/596918161.db2.gz VVZZAHCIEMDIFY-QFBILLFUSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000818090163 596918565 /nfs/dbraw/zinc/91/85/65/596918565.db2.gz VVZZAHCIEMDIFY-APWZRJJASA-N 0 1 381.476 3.488 20 0 GGADMN COc1cc2c(cc1NC(=O)C[NH+]1CCC(C(=O)[O-])CC1)oc1ccccc12 ZINC000262297830 596923495 /nfs/dbraw/zinc/92/34/95/596923495.db2.gz JMRZWCPOJOHRHD-UHFFFAOYSA-N 0 1 382.416 3.330 20 0 GGADMN O=C([O-])C[C@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000819351383 597061444 /nfs/dbraw/zinc/06/14/44/597061444.db2.gz FPSRQRHXSAFQPD-XUBOLADHSA-N 0 1 385.508 3.078 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000533202970 597083098 /nfs/dbraw/zinc/08/30/98/597083098.db2.gz AWWOUZINSSHBTJ-DLBZAZTESA-N 0 1 384.480 3.003 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000533202890 597085668 /nfs/dbraw/zinc/08/56/68/597085668.db2.gz UASOFBXJQCFCKW-JLTOFOAXSA-N 0 1 390.480 3.280 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000738626410 597191107 /nfs/dbraw/zinc/19/11/07/597191107.db2.gz VCNDOIYKNDOCTD-IBGZPJMESA-N 0 1 381.476 3.347 20 0 GGADMN C[C@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000818102147 597198652 /nfs/dbraw/zinc/19/86/52/597198652.db2.gz LYMGLNLIUULGDI-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818413497 597324998 /nfs/dbraw/zinc/32/49/98/597324998.db2.gz ZHTMFVDLDFIBPV-GOSISDBHSA-N 0 1 381.476 3.300 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000819618303 597333945 /nfs/dbraw/zinc/33/39/45/597333945.db2.gz SPKKJPAWDPVDNB-SFHVURJKSA-N 0 1 381.476 3.347 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113239 597341564 /nfs/dbraw/zinc/34/15/64/597341564.db2.gz NELHSQJVRQBIQP-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113234 597341772 /nfs/dbraw/zinc/34/17/72/597341772.db2.gz NELHSQJVRQBIQP-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN Cc1c(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cccc1-c1nn[nH]n1 ZINC000822095329 607284204 /nfs/dbraw/zinc/28/42/04/607284204.db2.gz DCMOMEVTKSSDEJ-QGZVFWFLSA-N 0 1 399.886 3.253 20 0 GGADMN Clc1nsc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000737583402 599268589 /nfs/dbraw/zinc/26/85/89/599268589.db2.gz KKJPOHMGIAXUDP-LBPRGKRZSA-N 0 1 375.889 3.226 20 0 GGADMN Clc1nsc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000737583402 599268591 /nfs/dbraw/zinc/26/85/91/599268591.db2.gz KKJPOHMGIAXUDP-LBPRGKRZSA-N 0 1 375.889 3.226 20 0 GGADMN C[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000736025900 599269352 /nfs/dbraw/zinc/26/93/52/599269352.db2.gz KLNLCMUTHWHDMB-CYBMUJFWSA-N 0 1 391.504 3.335 20 0 GGADMN C[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000736025900 599269354 /nfs/dbraw/zinc/26/93/54/599269354.db2.gz KLNLCMUTHWHDMB-CYBMUJFWSA-N 0 1 391.504 3.335 20 0 GGADMN c1ccc2c(c1)CC[N@@H+](CCCNc1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000738442410 599271257 /nfs/dbraw/zinc/27/12/57/599271257.db2.gz NMQGRRRWMSCKQQ-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN c1ccc2c(c1)CC[N@H+](CCCNc1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000738442410 599271259 /nfs/dbraw/zinc/27/12/59/599271259.db2.gz NMQGRRRWMSCKQQ-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN c1ccc2c(c1)CC[N@@H+](CCCNc1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000738442410 599271262 /nfs/dbraw/zinc/27/12/62/599271262.db2.gz NMQGRRRWMSCKQQ-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN c1ccc2c(c1)CC[N@H+](CCCNc1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000738442410 599271263 /nfs/dbraw/zinc/27/12/63/599271263.db2.gz NMQGRRRWMSCKQQ-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000820949357 597716337 /nfs/dbraw/zinc/71/63/37/597716337.db2.gz RYBPOUXQCRSGGR-AWEZNQCLSA-N 0 1 383.286 3.334 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000635516197 598166942 /nfs/dbraw/zinc/16/69/42/598166942.db2.gz YTCRRUTVZFCHRE-SUMWQHHRSA-N 0 1 385.867 3.026 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820348080 598176825 /nfs/dbraw/zinc/17/68/25/598176825.db2.gz JMQMASAHUYNPID-QGZVFWFLSA-N 0 1 382.464 3.298 20 0 GGADMN O=C([O-])c1cccc(C[NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000821552729 598202664 /nfs/dbraw/zinc/20/26/64/598202664.db2.gz PZIYQARVBBDYBC-UHFFFAOYSA-N 0 1 384.745 3.390 20 0 GGADMN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(C(=O)[O-])c1 ZINC000820562258 598210476 /nfs/dbraw/zinc/21/04/76/598210476.db2.gz DUEBJNSCIACAPM-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(C(=O)[O-])c1 ZINC000820562258 598210477 /nfs/dbraw/zinc/21/04/77/598210477.db2.gz DUEBJNSCIACAPM-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129696 598212238 /nfs/dbraw/zinc/21/22/38/598212238.db2.gz ORWCOYCKKNYTNA-QFBILLFUSA-N 0 1 381.476 3.346 20 0 GGADMN CCCOc1ccc(OCCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000736492029 598502267 /nfs/dbraw/zinc/50/22/67/598502267.db2.gz IBGSPCNMCNECHA-UHFFFAOYSA-N 0 1 391.431 3.049 20 0 GGADMN CCc1c(C)sc(NC(=O)c2ccc(CN(CC)CC)o2)c1-c1nn[nH]n1 ZINC000736675798 598515513 /nfs/dbraw/zinc/51/55/13/598515513.db2.gz NRRJGRPDWNJTBM-UHFFFAOYSA-N 0 1 388.497 3.486 20 0 GGADMN Cc1cc(OCc2cccc(-c3nn[nH]n3)c2)ccc1NC(=O)CN(C)C(C)C ZINC000737280903 598550194 /nfs/dbraw/zinc/55/01/94/598550194.db2.gz VBIPLUOOZKSESP-UHFFFAOYSA-N 0 1 394.479 3.033 20 0 GGADMN CC[C@H](C)CN(C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000736321960 598703321 /nfs/dbraw/zinc/70/33/21/598703321.db2.gz HEGZZDCZKHTVTQ-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN Cc1ccccc1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000737415715 598721403 /nfs/dbraw/zinc/72/14/03/598721403.db2.gz SNQYPYXCOPKAQC-UHFFFAOYSA-N 0 1 379.807 3.026 20 0 GGADMN C[C@@H](NC(=O)CCc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736105941 598742486 /nfs/dbraw/zinc/74/24/86/598742486.db2.gz QHSBOBSRQAUHNY-LLVKDONJSA-N 0 1 395.854 3.206 20 0 GGADMN COc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737109723 598798884 /nfs/dbraw/zinc/79/88/84/598798884.db2.gz SPMFXFBJXJDDOR-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000736197282 599313538 /nfs/dbraw/zinc/31/35/38/599313538.db2.gz MQTACLFDMPXWRK-INIZCTEOSA-N 0 1 392.463 3.134 20 0 GGADMN COCCCN1Cc2cccc(N[C@H](C)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000736982063 599326425 /nfs/dbraw/zinc/32/64/25/599326425.db2.gz QUOSGDPZCJQWTK-OAHLLOKOSA-N 0 1 378.480 3.392 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820410040 599386402 /nfs/dbraw/zinc/38/64/02/599386402.db2.gz CFFOCISDBSPMPA-NWDGAFQWSA-N 0 1 393.476 3.154 20 0 GGADMN CCCOc1ccc(CNCc2cc(-c3nn[nH]n3)ccc2F)cc1OCC ZINC000821134048 599456037 /nfs/dbraw/zinc/45/60/37/599456037.db2.gz LVZAGPZAVDHIIU-UHFFFAOYSA-N 0 1 385.443 3.483 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1ccc(OCc2ccncc2)cc1 ZINC000822761218 599457098 /nfs/dbraw/zinc/45/70/98/599457098.db2.gz CLFRXDWYFSKOAG-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736057641 599477333 /nfs/dbraw/zinc/47/73/33/599477333.db2.gz XVKIBHXVVHKGMC-CYBMUJFWSA-N 0 1 384.871 3.022 20 0 GGADMN C[C@@H]1CN(Cc2cccc(Nc3ncc(-c4nn[nH]n4)cc3Cl)c2)C[C@@H](C)O1 ZINC000736287839 599526245 /nfs/dbraw/zinc/52/62/45/599526245.db2.gz GKUWLCVPELEVON-CHWSQXEVSA-N 0 1 399.886 3.268 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737331116 599594713 /nfs/dbraw/zinc/59/47/13/599594713.db2.gz PINAUZBOOQDQHZ-GOSISDBHSA-N 0 1 394.479 3.002 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)N1CCC(C)(C)C1 ZINC000819875947 599643331 /nfs/dbraw/zinc/64/33/31/599643331.db2.gz CMYFCJCEUUEQPK-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000738766289 599705779 /nfs/dbraw/zinc/70/57/79/599705779.db2.gz CWDVBTOXXLKPBY-CYBMUJFWSA-N 0 1 378.270 3.408 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000738766289 599705780 /nfs/dbraw/zinc/70/57/80/599705780.db2.gz CWDVBTOXXLKPBY-CYBMUJFWSA-N 0 1 378.270 3.408 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000738766292 599705791 /nfs/dbraw/zinc/70/57/91/599705791.db2.gz CWDVBTOXXLKPBY-ZDUSSCGKSA-N 0 1 378.270 3.408 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000738766292 599705793 /nfs/dbraw/zinc/70/57/93/599705793.db2.gz CWDVBTOXXLKPBY-ZDUSSCGKSA-N 0 1 378.270 3.408 20 0 GGADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000739473920 599711133 /nfs/dbraw/zinc/71/11/33/599711133.db2.gz UCOQGPUXDOOHFL-SUMWQHHRSA-N 0 1 391.830 3.351 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000736217902 599712060 /nfs/dbraw/zinc/71/20/60/599712060.db2.gz HZCOXORRQITYCZ-ZBFHGGJFSA-N 0 1 385.489 3.107 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738238867 599712122 /nfs/dbraw/zinc/71/21/22/599712122.db2.gz ZOMRJMYQVLTZEZ-RMHZUWNSSA-N 0 1 375.513 3.238 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000248612272 599712785 /nfs/dbraw/zinc/71/27/85/599712785.db2.gz XVZJFJSNFKSVAA-WQVCFCJDSA-N 0 1 380.872 3.395 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000248616164 599713511 /nfs/dbraw/zinc/71/35/11/599713511.db2.gz ZQFXGSRVRGOINT-MJQMVNBJSA-N 0 1 399.516 3.066 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000248616164 599713513 /nfs/dbraw/zinc/71/35/13/599713513.db2.gz ZQFXGSRVRGOINT-MJQMVNBJSA-N 0 1 399.516 3.066 20 0 GGADMN C[C@@H](C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1)C(=O)[O-] ZINC000736577637 599713706 /nfs/dbraw/zinc/71/37/06/599713706.db2.gz FGVMJCAOTZWUJZ-INIZCTEOSA-N 0 1 386.517 3.246 20 0 GGADMN C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000566742607 599716434 /nfs/dbraw/zinc/71/64/34/599716434.db2.gz DFRKGUABWCESLW-FQEVSTJZSA-N 0 1 379.456 3.452 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000736204270 599718778 /nfs/dbraw/zinc/71/87/78/599718778.db2.gz IMFMZCOYGWKWRN-QGZVFWFLSA-N 0 1 380.488 3.497 20 0 GGADMN C[N@@H+](CCC1CCCCC1)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737415852 599720623 /nfs/dbraw/zinc/72/06/23/599720623.db2.gz UDZWCWZLLRJMAI-HXUWFJFHSA-N 0 1 385.508 3.182 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000737336345 599720663 /nfs/dbraw/zinc/72/06/63/599720663.db2.gz QDGRAZLUELLFHC-INIZCTEOSA-N 0 1 378.469 3.095 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000738894152 599730721 /nfs/dbraw/zinc/73/07/21/599730721.db2.gz JIAXYQKLCZANKN-HNNXBMFYSA-N 0 1 396.447 3.448 20 0 GGADMN CN(CCCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000737426576 599738236 /nfs/dbraw/zinc/73/82/36/599738236.db2.gz FQEUJKLZTOQECY-UHFFFAOYSA-N 0 1 375.513 3.457 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000738368389 599738415 /nfs/dbraw/zinc/73/84/15/599738415.db2.gz FIYMHENRDJDXPU-HNNXBMFYSA-N 0 1 394.269 3.066 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000738894575 599740102 /nfs/dbraw/zinc/74/01/02/599740102.db2.gz KYMRKBTVJPFZOE-OAHLLOKOSA-N 0 1 394.269 3.066 20 0 GGADMN COc1cc(-c2noc(C[N@H+]3CCCC[C@H]3CC(=O)[O-])n2)ccc1OC(F)F ZINC000650504443 599753442 /nfs/dbraw/zinc/75/34/42/599753442.db2.gz NMNDJUVNXUGIFV-LBPRGKRZSA-N 0 1 397.378 3.176 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000315071418 599754707 /nfs/dbraw/zinc/75/47/07/599754707.db2.gz ISQAEFDVWPIWOL-SECBINFHSA-N 0 1 386.271 3.390 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000315071418 599754709 /nfs/dbraw/zinc/75/47/09/599754709.db2.gz ISQAEFDVWPIWOL-SECBINFHSA-N 0 1 386.271 3.390 20 0 GGADMN CNC(=O)CC[N@@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737536973 599761324 /nfs/dbraw/zinc/76/13/24/599761324.db2.gz QKJULVAZXQBVBR-UHFFFAOYSA-N 0 1 377.444 3.168 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[NH+](Cc4cccc(O)c4)CC3)c12 ZINC000581134201 599767862 /nfs/dbraw/zinc/76/78/62/599767862.db2.gz NEOFAJUFEIRKDC-UHFFFAOYSA-N 0 1 398.488 3.034 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)c1C(=O)[O-] ZINC000738769563 599770544 /nfs/dbraw/zinc/77/05/44/599770544.db2.gz DPEJZLIGXZQEOA-GOSISDBHSA-N 0 1 397.519 3.417 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccccc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737407982 599771590 /nfs/dbraw/zinc/77/15/90/599771590.db2.gz HFOKAJLGNARGLK-GUYCJALGSA-N 0 1 384.259 3.491 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccccc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737407983 599771793 /nfs/dbraw/zinc/77/17/93/599771793.db2.gz HFOKAJLGNARGLK-SUMWQHHRSA-N 0 1 384.259 3.491 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000477837702 599779933 /nfs/dbraw/zinc/77/99/33/599779933.db2.gz LOKJDMZCHWPBQZ-BBWFWOEESA-N 0 1 398.425 3.295 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccccc1 ZINC000739506130 599786336 /nfs/dbraw/zinc/78/63/36/599786336.db2.gz UJPGNBYGLQCPNW-HNNXBMFYSA-N 0 1 377.322 3.270 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000739275515 599788903 /nfs/dbraw/zinc/78/89/03/599788903.db2.gz YFRGVCDSIFOLSF-NRFANRHFSA-N 0 1 397.519 3.325 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000737657653 599811145 /nfs/dbraw/zinc/81/11/45/599811145.db2.gz ABMJBDBITZPZDY-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000737657653 599811147 /nfs/dbraw/zinc/81/11/47/599811147.db2.gz ABMJBDBITZPZDY-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000737681667 599811261 /nfs/dbraw/zinc/81/12/61/599811261.db2.gz KEVLWBVDDZGNET-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000737681667 599811262 /nfs/dbraw/zinc/81/12/62/599811262.db2.gz KEVLWBVDDZGNET-GFCCVEGCSA-N 0 1 390.461 3.000 20 0 GGADMN CC1(C)CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736734979 599831248 /nfs/dbraw/zinc/83/12/48/599831248.db2.gz AKGKLOCEEKMAPH-UHFFFAOYSA-N 0 1 395.503 3.233 20 0 GGADMN CC1CCN(c2nn(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)n2C2CC2)CC1 ZINC000736803495 599839676 /nfs/dbraw/zinc/83/96/76/599839676.db2.gz WMQPRLCUPDELLT-MRXNPFEDSA-N 0 1 393.557 3.272 20 0 GGADMN CC1CCN(c2nn(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)n2C2CC2)CC1 ZINC000736803495 599839677 /nfs/dbraw/zinc/83/96/77/599839677.db2.gz WMQPRLCUPDELLT-MRXNPFEDSA-N 0 1 393.557 3.272 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736810464 599843776 /nfs/dbraw/zinc/84/37/76/599843776.db2.gz ONKLKKCPGULQMP-KBPBESRZSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736810467 599843796 /nfs/dbraw/zinc/84/37/96/599843796.db2.gz ONKLKKCPGULQMP-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736810467 599843797 /nfs/dbraw/zinc/84/37/97/599843797.db2.gz ONKLKKCPGULQMP-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000736755387 599844000 /nfs/dbraw/zinc/84/40/00/599844000.db2.gz MEISGZAFLUNRIA-JTDSTZFVSA-N 0 1 375.513 3.073 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000736369688 599844822 /nfs/dbraw/zinc/84/48/22/599844822.db2.gz KBWSKNHCCFGSCA-LJQANCHMSA-N 0 1 375.513 3.360 20 0 GGADMN C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737393888 599855886 /nfs/dbraw/zinc/85/58/86/599855886.db2.gz SIMGPRXWHUXSIV-IBGZPJMESA-N 0 1 395.484 3.179 20 0 GGADMN C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737393888 599855887 /nfs/dbraw/zinc/85/58/87/599855887.db2.gz SIMGPRXWHUXSIV-IBGZPJMESA-N 0 1 395.484 3.179 20 0 GGADMN CC(C)C[N@H+](CCC(=O)[O-])Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000652460463 599874109 /nfs/dbraw/zinc/87/41/09/599874109.db2.gz URHIASQLCYYQBC-UHFFFAOYSA-N 0 1 396.534 3.146 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000652460463 599874112 /nfs/dbraw/zinc/87/41/12/599874112.db2.gz URHIASQLCYYQBC-UHFFFAOYSA-N 0 1 396.534 3.146 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000738530099 599875834 /nfs/dbraw/zinc/87/58/34/599875834.db2.gz CVRQGGMVKJYTKR-KRWDZBQOSA-N 0 1 382.416 3.198 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000738530099 599875835 /nfs/dbraw/zinc/87/58/35/599875835.db2.gz CVRQGGMVKJYTKR-KRWDZBQOSA-N 0 1 382.416 3.198 20 0 GGADMN COc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])o2)cc1 ZINC000737914017 599888549 /nfs/dbraw/zinc/88/85/49/599888549.db2.gz RAXXOKDHHAXMSQ-OAHLLOKOSA-N 0 1 381.432 3.468 20 0 GGADMN CC1(C)C[N@H+](C2(CNC(=O)c3ccc(NC(=O)[O-])cc3)CCCCC2)CCO1 ZINC000736735462 599899938 /nfs/dbraw/zinc/89/99/38/599899938.db2.gz LUQYGTNFDYLCLZ-UHFFFAOYSA-N 0 1 389.496 3.320 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000736369687 599915018 /nfs/dbraw/zinc/91/50/18/599915018.db2.gz KBWSKNHCCFGSCA-IBGZPJMESA-N 0 1 375.513 3.360 20 0 GGADMN CC(C)(C)C1CCC2(CC(=O)N(C[NH+]3CCC(CC(=O)[O-])CC3)C2=O)CC1 ZINC000736255403 599921669 /nfs/dbraw/zinc/92/16/69/599921669.db2.gz AEZYNZXMNDVAJJ-UHFFFAOYSA-N 0 1 378.513 3.112 20 0 GGADMN C[C@@H](C[N@@H+](CN1C(=O)CC2(CCC(C(C)(C)C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736579665 599921687 /nfs/dbraw/zinc/92/16/87/599921687.db2.gz VRPXDUNRUBIJGV-VEBLATHCSA-N 0 1 378.513 3.111 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000736796714 599928406 /nfs/dbraw/zinc/92/84/06/599928406.db2.gz YRUXWBQUKWMSHW-CABCVRRESA-N 0 1 378.538 3.492 20 0 GGADMN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+](C[C@H](C)C(=O)[O-])C1CC1)C2=O ZINC000736859576 599934829 /nfs/dbraw/zinc/93/48/29/599934829.db2.gz UTMFFYGYRGAAGG-VEBLATHCSA-N 0 1 393.528 3.046 20 0 GGADMN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1)C2=O ZINC000736859576 599934830 /nfs/dbraw/zinc/93/48/30/599934830.db2.gz UTMFFYGYRGAAGG-VEBLATHCSA-N 0 1 393.528 3.046 20 0 GGADMN O=C([O-])c1sc2ccccc2c1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000740279878 599938199 /nfs/dbraw/zinc/93/81/99/599938199.db2.gz RCVYAJPRRHHVOZ-UHFFFAOYSA-N 0 1 387.505 3.323 20 0 GGADMN CC1(C)C[N@H+](C2(CNC(=O)Nc3cccc(C(=O)[O-])c3)CCCCC2)CCO1 ZINC000736735015 599940842 /nfs/dbraw/zinc/94/08/42/599940842.db2.gz CLUCKNSXKXZAGD-UHFFFAOYSA-N 0 1 389.496 3.320 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736576593 599950181 /nfs/dbraw/zinc/95/01/81/599950181.db2.gz DZZKVBDCTQMYEA-KRWDZBQOSA-N 0 1 380.488 3.420 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CC1)C(=O)[O-] ZINC000736584383 599951703 /nfs/dbraw/zinc/95/17/03/599951703.db2.gz XGUZFYPYPJZDIR-QMMMGPOBSA-N 0 1 386.271 3.246 20 0 GGADMN O=C([O-])CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000739660280 599952240 /nfs/dbraw/zinc/95/22/40/599952240.db2.gz WOZXRBHKVWLGSV-UXHICEINSA-N 0 1 381.476 3.016 20 0 GGADMN CCCc1c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041694 599953562 /nfs/dbraw/zinc/95/35/62/599953562.db2.gz SPBWNXGPJYGYLG-GOSISDBHSA-N 0 1 397.519 3.268 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(Nc4cccnn4)CC3)cs2)cc1 ZINC000740097354 599957986 /nfs/dbraw/zinc/95/79/86/599957986.db2.gz GRXNNSBVAQTAPS-UHFFFAOYSA-N 0 1 395.488 3.375 20 0 GGADMN C[C@H](O)C[N@@H+](C)C1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000736677032 599965116 /nfs/dbraw/zinc/96/51/16/599965116.db2.gz KOWNIWFYPBIADJ-LBPRGKRZSA-N 0 1 380.485 3.016 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1C(=O)[O-])C[C@@H](c1cccs1)N1CCOCC1 ZINC000737472443 599967669 /nfs/dbraw/zinc/96/76/69/599967669.db2.gz RVZVHEPQSUOJJG-KRWDZBQOSA-N 0 1 378.469 3.091 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cs2)cc1 ZINC000740098212 599969801 /nfs/dbraw/zinc/96/98/01/599969801.db2.gz NVRZFIQONPWGJI-CQSZACIVSA-N 0 1 383.477 3.012 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000739371060 599972007 /nfs/dbraw/zinc/97/20/07/599972007.db2.gz ZZUVWYRYUROYTD-KXBFYZLASA-N 0 1 388.414 3.119 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C2 ZINC000738073762 599978857 /nfs/dbraw/zinc/97/88/57/599978857.db2.gz KRBBOACMPNLCDY-UHFFFAOYSA-N 0 1 388.489 3.459 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C2 ZINC000738073762 599978860 /nfs/dbraw/zinc/97/88/60/599978860.db2.gz KRBBOACMPNLCDY-UHFFFAOYSA-N 0 1 388.489 3.459 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737115381 599993599 /nfs/dbraw/zinc/99/35/99/599993599.db2.gz OPOPQODAGTXBHA-LJQANCHMSA-N 0 1 382.464 3.298 20 0 GGADMN CCc1[nH]c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000737244613 600002984 /nfs/dbraw/zinc/00/29/84/600002984.db2.gz QBTFVAQTXHQLDO-CQSZACIVSA-N 0 1 385.464 3.229 20 0 GGADMN O=C([O-])c1ccc(F)c(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000739414889 600008338 /nfs/dbraw/zinc/00/83/38/600008338.db2.gz NAAKEFCQAAONRN-MRXNPFEDSA-N 0 1 385.439 3.210 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000737389682 600012211 /nfs/dbraw/zinc/01/22/11/600012211.db2.gz PRHXKYYUTRETBD-NHCUHLMSSA-N 0 1 378.472 3.034 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736271980 600014252 /nfs/dbraw/zinc/01/42/52/600014252.db2.gz BOSWJDRLQLSFEI-HNNXBMFYSA-N 0 1 398.450 3.499 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722306 600018646 /nfs/dbraw/zinc/01/86/46/600018646.db2.gz BUNXSLXPJYJLCQ-YWZLYKJASA-N 0 1 379.460 3.246 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000739823475 600021471 /nfs/dbraw/zinc/02/14/71/600021471.db2.gz HDRSEEHPVLYBLW-SFHVURJKSA-N 0 1 389.496 3.316 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccco1 ZINC000737358430 600022158 /nfs/dbraw/zinc/02/21/58/600022158.db2.gz MCJWCYIYKFKKNX-HNNXBMFYSA-N 0 1 377.466 3.022 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000739872714 600022785 /nfs/dbraw/zinc/02/27/85/600022785.db2.gz ZMRILVHLCKYVGL-UHFFFAOYSA-N 0 1 399.516 3.184 20 0 GGADMN CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000236650995 600037335 /nfs/dbraw/zinc/03/73/35/600037335.db2.gz BLJXVLLRPSDSEM-UHFFFAOYSA-N 0 1 380.488 3.271 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000737862329 600039481 /nfs/dbraw/zinc/03/94/81/600039481.db2.gz IIGYOCQUWVSGET-PMACEKPBSA-N 0 1 399.487 3.230 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000737862339 600039498 /nfs/dbraw/zinc/03/94/98/600039498.db2.gz IIGYOCQUWVSGET-VQTJNVASSA-N 0 1 399.487 3.230 20 0 GGADMN C[N@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccc(Cl)c1 ZINC000737394656 600044555 /nfs/dbraw/zinc/04/45/55/600044555.db2.gz ZAUIHLVXKOHMMO-LJQANCHMSA-N 0 1 399.878 3.065 20 0 GGADMN C[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccc(Cl)c1 ZINC000737394656 600044558 /nfs/dbraw/zinc/04/45/58/600044558.db2.gz ZAUIHLVXKOHMMO-LJQANCHMSA-N 0 1 399.878 3.065 20 0 GGADMN C[C@H]([NH2+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1Cl ZINC000736660757 600045463 /nfs/dbraw/zinc/04/54/63/600045463.db2.gz BIRAIYAKSGZJGB-DJJJIMSYSA-N 0 1 399.878 3.284 20 0 GGADMN C[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccc2ccccc2c1 ZINC000737389886 600046154 /nfs/dbraw/zinc/04/61/54/600046154.db2.gz ROIDSVYECLQIID-QFIPXVFZSA-N 0 1 388.467 3.310 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccc2ccccc2c1 ZINC000737389886 600046157 /nfs/dbraw/zinc/04/61/57/600046157.db2.gz ROIDSVYECLQIID-QFIPXVFZSA-N 0 1 388.467 3.310 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000739286123 600046235 /nfs/dbraw/zinc/04/62/35/600046235.db2.gz NRGVDWSRMNHNTE-ZWKOTPCHSA-N 0 1 397.500 3.178 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000739286123 600046237 /nfs/dbraw/zinc/04/62/37/600046237.db2.gz NRGVDWSRMNHNTE-ZWKOTPCHSA-N 0 1 397.500 3.178 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC000649457765 600047073 /nfs/dbraw/zinc/04/70/73/600047073.db2.gz WTHXLGWVGFTPKX-KRWDZBQOSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc1 ZINC000649457765 600047077 /nfs/dbraw/zinc/04/70/77/600047077.db2.gz WTHXLGWVGFTPKX-KRWDZBQOSA-N 0 1 387.867 3.218 20 0 GGADMN CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737113583 600060104 /nfs/dbraw/zinc/06/01/04/600060104.db2.gz DVMNPCSZOVRRBD-INIZCTEOSA-N 0 1 381.567 3.165 20 0 GGADMN Cc1cccc(C[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000237694603 600065900 /nfs/dbraw/zinc/06/59/00/600065900.db2.gz HPKNTPRWGSTEQG-NHCUHLMSSA-N 0 1 380.488 3.019 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000740124387 600066106 /nfs/dbraw/zinc/06/61/06/600066106.db2.gz XNUAIMWEYMAFNK-UHFFFAOYSA-N 0 1 392.499 3.367 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000740188146 600073985 /nfs/dbraw/zinc/07/39/85/600073985.db2.gz BCXXZCMISRPJHN-SFHVURJKSA-N 0 1 382.435 3.278 20 0 GGADMN Cc1oc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000738977247 600077519 /nfs/dbraw/zinc/07/75/19/600077519.db2.gz BDTGLNJQVNUBDB-AWEZNQCLSA-N 0 1 389.427 3.459 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)o1 ZINC000739407085 600077871 /nfs/dbraw/zinc/07/78/71/600077871.db2.gz NNUWDEVJFYIAIK-CYBMUJFWSA-N 0 1 375.400 3.151 20 0 GGADMN O=C([O-])CCCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000666527360 600085692 /nfs/dbraw/zinc/08/56/92/600085692.db2.gz AXWANZGYCSSIKH-KRWDZBQOSA-N 0 1 381.904 3.249 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C2 ZINC000739243779 600088350 /nfs/dbraw/zinc/08/83/50/600088350.db2.gz LXRKUKCLKOEYEF-UHFFFAOYSA-N 0 1 389.249 3.492 20 0 GGADMN C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000737447579 600091810 /nfs/dbraw/zinc/09/18/10/600091810.db2.gz ABTZAERTFOAGPW-UHFFFAOYSA-N 0 1 397.294 3.322 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000737447579 600091812 /nfs/dbraw/zinc/09/18/12/600091812.db2.gz ABTZAERTFOAGPW-UHFFFAOYSA-N 0 1 397.294 3.322 20 0 GGADMN Cc1nc([C@H]2CCC[N@@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)sc1C ZINC000738349179 600093046 /nfs/dbraw/zinc/09/30/46/600093046.db2.gz FVRRCWXTUKJZAY-AWEZNQCLSA-N 0 1 375.494 3.465 20 0 GGADMN Cc1nc([C@H]2CCC[N@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)sc1C ZINC000738349179 600093049 /nfs/dbraw/zinc/09/30/49/600093049.db2.gz FVRRCWXTUKJZAY-AWEZNQCLSA-N 0 1 375.494 3.465 20 0 GGADMN Cc1nc([C@H]2CCC[N@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)sc1C ZINC000738851451 600093070 /nfs/dbraw/zinc/09/30/70/600093070.db2.gz ZEZHUAFVMUOFIQ-AWEZNQCLSA-N 0 1 398.488 3.487 20 0 GGADMN Cc1nc([C@H]2CCC[N@@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)sc1C ZINC000738851451 600093075 /nfs/dbraw/zinc/09/30/75/600093075.db2.gz ZEZHUAFVMUOFIQ-AWEZNQCLSA-N 0 1 398.488 3.487 20 0 GGADMN CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736951588 600105530 /nfs/dbraw/zinc/10/55/30/600105530.db2.gz WLOMDJAYVLVKOL-ZWKOTPCHSA-N 0 1 384.501 3.095 20 0 GGADMN CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736951588 600105531 /nfs/dbraw/zinc/10/55/31/600105531.db2.gz WLOMDJAYVLVKOL-ZWKOTPCHSA-N 0 1 384.501 3.095 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736951578 600105540 /nfs/dbraw/zinc/10/55/40/600105540.db2.gz WLOMDJAYVLVKOL-MSOLQXFVSA-N 0 1 384.501 3.095 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736951578 600105542 /nfs/dbraw/zinc/10/55/42/600105542.db2.gz WLOMDJAYVLVKOL-MSOLQXFVSA-N 0 1 384.501 3.095 20 0 GGADMN C[C@@H](OC[C@@H](O)C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790583 600110320 /nfs/dbraw/zinc/11/03/20/600110320.db2.gz BOMINWAXENEXOW-YJYMSZOUSA-N 0 1 375.852 3.493 20 0 GGADMN C[C@@H](OC[C@@H](O)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790583 600110323 /nfs/dbraw/zinc/11/03/23/600110323.db2.gz BOMINWAXENEXOW-YJYMSZOUSA-N 0 1 375.852 3.493 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000740202024 600110532 /nfs/dbraw/zinc/11/05/32/600110532.db2.gz HEEXVVCVSFXCOU-AWEZNQCLSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000740202024 600110534 /nfs/dbraw/zinc/11/05/34/600110534.db2.gz HEEXVVCVSFXCOU-AWEZNQCLSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])C1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000739487834 600115481 /nfs/dbraw/zinc/11/54/81/600115481.db2.gz HCBLOMKTLHNSQJ-UHFFFAOYSA-N 0 1 377.510 3.000 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000739754419 600124495 /nfs/dbraw/zinc/12/44/95/600124495.db2.gz PKFLITNDPGCSIX-SJORKVTESA-N 0 1 377.510 3.143 20 0 GGADMN Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000738288813 600124779 /nfs/dbraw/zinc/12/47/79/600124779.db2.gz JLTGALRYGCPTJM-UHFFFAOYSA-N 0 1 390.915 3.345 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000262671406 600129601 /nfs/dbraw/zinc/12/96/01/600129601.db2.gz PONHESQZZBTLAN-XLIONFOSSA-N 0 1 386.879 3.342 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736219135 600132146 /nfs/dbraw/zinc/13/21/46/600132146.db2.gz WQEODKGMPZGDPQ-LSDHHAIUSA-N 0 1 388.464 3.242 20 0 GGADMN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737517495 600132878 /nfs/dbraw/zinc/13/28/78/600132878.db2.gz JMUUVEZZHJGTPK-MRXNPFEDSA-N 0 1 387.549 3.201 20 0 GGADMN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737517495 600132879 /nfs/dbraw/zinc/13/28/79/600132879.db2.gz JMUUVEZZHJGTPK-MRXNPFEDSA-N 0 1 387.549 3.201 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736219325 600136433 /nfs/dbraw/zinc/13/64/33/600136433.db2.gz ONZVWGCVPILKGN-CMPLNLGQSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736219325 600136435 /nfs/dbraw/zinc/13/64/35/600136435.db2.gz ONZVWGCVPILKGN-CMPLNLGQSA-N 0 1 395.431 3.212 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463345445 600138842 /nfs/dbraw/zinc/13/88/42/600138842.db2.gz PHHDUUSCTNNVQN-YLJYHZDGSA-N 0 1 386.879 3.342 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263574171 600140632 /nfs/dbraw/zinc/14/06/32/600140632.db2.gz NJEXPFHGHZAPPE-DOTOQJQBSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263574171 600140634 /nfs/dbraw/zinc/14/06/34/600140634.db2.gz NJEXPFHGHZAPPE-DOTOQJQBSA-N 0 1 380.444 3.041 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)[C@@H](c3ccco3)C2)cc1 ZINC000738581149 600141289 /nfs/dbraw/zinc/14/12/89/600141289.db2.gz CAAIWRKDYKANFT-IEBWSBKVSA-N 0 1 395.459 3.062 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)[C@@H](c3ccco3)C2)cc1 ZINC000738581149 600141290 /nfs/dbraw/zinc/14/12/90/600141290.db2.gz CAAIWRKDYKANFT-IEBWSBKVSA-N 0 1 395.459 3.062 20 0 GGADMN C[C@@H](C[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571107 600143749 /nfs/dbraw/zinc/14/37/49/600143749.db2.gz IGNORIHGGZEMBG-KKSFZXQISA-N 0 1 393.487 3.457 20 0 GGADMN CCC[C@@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000736964279 600154360 /nfs/dbraw/zinc/15/43/60/600154360.db2.gz MJWXQIWCPPHLNF-IFXJQAMLSA-N 0 1 389.477 3.252 20 0 GGADMN CCC[C@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(=O)[O-] ZINC000736965582 600154452 /nfs/dbraw/zinc/15/44/52/600154452.db2.gz WWSFPNIUOPIABB-LIRRHRJNSA-N 0 1 389.477 3.252 20 0 GGADMN CCC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(=O)[O-] ZINC000736965578 600154608 /nfs/dbraw/zinc/15/46/08/600154608.db2.gz WWSFPNIUOPIABB-IFXJQAMLSA-N 0 1 389.477 3.252 20 0 GGADMN CCC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736963638 600155374 /nfs/dbraw/zinc/15/53/74/600155374.db2.gz KBIITBCADWMVHT-XMSQKQJNSA-N 0 1 397.475 3.499 20 0 GGADMN CCC[N@@H+](CCC(=O)N(C)CC(=O)[O-])[C@H](C)c1ccccc1Br ZINC000737020347 600160275 /nfs/dbraw/zinc/16/02/75/600160275.db2.gz VNTSDUBHMVUKOL-CYBMUJFWSA-N 0 1 385.302 3.155 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000737869201 600178699 /nfs/dbraw/zinc/17/86/99/600178699.db2.gz YGGIDDJWRDIULT-AYOQOUSVSA-N 0 1 385.460 3.011 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000739622813 600179350 /nfs/dbraw/zinc/17/93/50/600179350.db2.gz QJTCBKHGIADUCI-OAQYLSRUSA-N 0 1 396.462 3.076 20 0 GGADMN O=C([O-])c1ccoc1COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000740252197 600195641 /nfs/dbraw/zinc/19/56/41/600195641.db2.gz LKUDHXIQPNUUIK-SFHVURJKSA-N 0 1 397.349 3.476 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(C[C@H](C)C[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703230 600208444 /nfs/dbraw/zinc/20/84/44/600208444.db2.gz UJOBAYVFQNKZHO-OAHLLOKOSA-N 0 1 394.471 3.139 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCc1nc2ccccc2n1C ZINC000736826957 600208578 /nfs/dbraw/zinc/20/85/78/600208578.db2.gz YDLKSIAYELLFPF-MRXNPFEDSA-N 0 1 378.476 3.025 20 0 GGADMN C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H](C(=O)[O-])c1ccccc1 ZINC000737454345 600210669 /nfs/dbraw/zinc/21/06/69/600210669.db2.gz MCMCKEFUJVNBAZ-HNNXBMFYSA-N 0 1 378.222 3.436 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737408913 600212648 /nfs/dbraw/zinc/21/26/48/600212648.db2.gz QKAZIMCBAKEZEY-CJNGLKHVSA-N 0 1 384.259 3.491 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000737505086 600215931 /nfs/dbraw/zinc/21/59/31/600215931.db2.gz DDBLMEKOGWCEMS-DNVCBOLYSA-N 0 1 381.432 3.152 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000736465428 600219115 /nfs/dbraw/zinc/21/91/15/600219115.db2.gz DZZFBNXWLVHUFP-HNNXBMFYSA-N 0 1 389.477 3.204 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000736466351 600222184 /nfs/dbraw/zinc/22/21/84/600222184.db2.gz WNFHMIMYWPRIPK-OAHLLOKOSA-N 0 1 389.477 3.204 20 0 GGADMN C[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000736219054 600248907 /nfs/dbraw/zinc/24/89/07/600248907.db2.gz JHIPSWUDGPYELR-CQSZACIVSA-N 0 1 387.505 3.052 20 0 GGADMN C[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000736219053 600249049 /nfs/dbraw/zinc/24/90/49/600249049.db2.gz JHIPSWUDGPYELR-AWEZNQCLSA-N 0 1 387.505 3.052 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000738252718 600260218 /nfs/dbraw/zinc/26/02/18/600260218.db2.gz HYJFPBAHGNXJSI-UHFFFAOYSA-N 0 1 396.260 3.456 20 0 GGADMN CCc1[nH]c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000737241116 600260333 /nfs/dbraw/zinc/26/03/33/600260333.db2.gz JYFGEEIASAATJG-GOEBONIOSA-N 0 1 375.513 3.310 20 0 GGADMN CCc1[nH]c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1C(=O)[O-] ZINC000737241120 600260416 /nfs/dbraw/zinc/26/04/16/600260416.db2.gz JYFGEEIASAATJG-ZBFHGGJFSA-N 0 1 375.513 3.310 20 0 GGADMN Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000564336718 600261330 /nfs/dbraw/zinc/26/13/30/600261330.db2.gz FXZGHJJZZPPVEY-KRWDZBQOSA-N 0 1 396.487 3.241 20 0 GGADMN COCCOC1CC[NH+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000571570326 600261818 /nfs/dbraw/zinc/26/18/18/600261818.db2.gz CAYFREMPLDMQDX-UHFFFAOYSA-N 0 1 376.478 3.136 20 0 GGADMN Cc1ccc(OC2CC[NH+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)CC2)cc1 ZINC000738638975 600262716 /nfs/dbraw/zinc/26/27/16/600262716.db2.gz LMHCSUAGLVUXHC-UHFFFAOYSA-N 0 1 397.475 3.245 20 0 GGADMN CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000583752599 600271732 /nfs/dbraw/zinc/27/17/32/600271732.db2.gz RXEYWUCDQIOZLK-UHFFFAOYSA-N 0 1 387.505 3.046 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000737284227 600271890 /nfs/dbraw/zinc/27/18/90/600271890.db2.gz FJJZWPFWJRCPRL-HUUCEWRRSA-N 0 1 387.505 3.488 20 0 GGADMN O=C([O-])c1cn(CC(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000739359317 600273351 /nfs/dbraw/zinc/27/33/51/600273351.db2.gz KFTBGOYYNUAALD-KRWDZBQOSA-N 0 1 378.428 3.157 20 0 GGADMN Cc1cccc(OCc2nn(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)c(=S)o2)c1 ZINC000738738212 600279227 /nfs/dbraw/zinc/27/92/27/600279227.db2.gz YBISYVIREWUOSG-HNNXBMFYSA-N 0 1 389.477 3.237 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc21 ZINC000739604887 600280309 /nfs/dbraw/zinc/28/03/09/600280309.db2.gz PXZFWIXGLBRBHB-APWZRJJASA-N 0 1 382.435 3.253 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000737166494 600282339 /nfs/dbraw/zinc/28/23/39/600282339.db2.gz FIEIRPJSOZOZPE-SUMWQHHRSA-N 0 1 397.903 3.297 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000737905577 600285610 /nfs/dbraw/zinc/28/56/10/600285610.db2.gz MIHRUPWQUCKHNI-GOSISDBHSA-N 0 1 383.444 3.213 20 0 GGADMN CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000737164507 600286050 /nfs/dbraw/zinc/28/60/50/600286050.db2.gz RTZZMWXOYBFJID-CYBMUJFWSA-N 0 1 380.510 3.012 20 0 GGADMN CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000737164507 600286052 /nfs/dbraw/zinc/28/60/52/600286052.db2.gz RTZZMWXOYBFJID-CYBMUJFWSA-N 0 1 380.510 3.012 20 0 GGADMN CCOC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000737163991 600286167 /nfs/dbraw/zinc/28/61/67/600286167.db2.gz BCQMKFBMVIIZED-KBPBESRZSA-N 0 1 394.537 3.258 20 0 GGADMN CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000737163991 600286169 /nfs/dbraw/zinc/28/61/69/600286169.db2.gz BCQMKFBMVIIZED-KBPBESRZSA-N 0 1 394.537 3.258 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000738530518 600286952 /nfs/dbraw/zinc/28/69/52/600286952.db2.gz DHGSJYOSRNGZFV-ROUUACIJSA-N 0 1 387.524 3.218 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000736810411 600291512 /nfs/dbraw/zinc/29/15/12/600291512.db2.gz OGNUHBHLJJEUAI-HZPDHXFCSA-N 0 1 397.475 3.316 20 0 GGADMN COc1ccc2ccccc2c1C[N@@H+](CCC(=O)NCC(=O)[O-])C1CCCC1 ZINC000738078425 600297982 /nfs/dbraw/zinc/29/79/82/600297982.db2.gz FXTIBZODNAHVFH-UHFFFAOYSA-N 0 1 384.476 3.184 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC2 ZINC000739279142 600298786 /nfs/dbraw/zinc/29/87/86/600298786.db2.gz VDHYDBNECUSYAF-GFCCVEGCSA-N 0 1 390.789 3.484 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)(C(=O)[O-])c1ccccc1 ZINC000736917586 600304466 /nfs/dbraw/zinc/30/44/66/600304466.db2.gz OCSNCYSVXGSVGX-QHCPKHFHSA-N 0 1 391.471 3.032 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736920233 600304724 /nfs/dbraw/zinc/30/47/24/600304724.db2.gz OPQAYLXMBDHALE-SZNDQCEHSA-N 0 1 390.430 3.464 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200990 600305890 /nfs/dbraw/zinc/30/58/90/600305890.db2.gz TXCDJHVMGJZJOH-ZBFHGGJFSA-N 0 1 391.537 3.384 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)cs1 ZINC000738855657 600308693 /nfs/dbraw/zinc/30/86/93/600308693.db2.gz WYDGPPGKCGKLBI-UHFFFAOYSA-N 0 1 388.493 3.070 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccccc1Cc1ccccc1)CC2 ZINC000739277951 600311224 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381.350 3.447 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)cc2c1OCOC2 ZINC000739720211 600329291 /nfs/dbraw/zinc/32/92/91/600329291.db2.gz LNMKDZVGHKWJAO-UHFFFAOYSA-N 0 1 381.350 3.447 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nnc(-c3ccc(Br)s3)o1)CC2 ZINC000405290671 600332817 /nfs/dbraw/zinc/33/28/17/600332817.db2.gz JKKTWZSLCAXMPB-SECBINFHSA-N 0 1 398.282 3.247 20 0 GGADMN O=C([O-])/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000739628366 600335648 /nfs/dbraw/zinc/33/56/48/600335648.db2.gz ZVPMNKGDVCNJHS-FBJMNJBLSA-N 0 1 380.897 3.021 20 0 GGADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000740160264 600336336 /nfs/dbraw/zinc/33/63/36/600336336.db2.gz IRCGZAFYRJWAGA-AEFFLSMTSA-N 0 1 375.852 3.267 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000736785289 600343027 /nfs/dbraw/zinc/34/30/27/600343027.db2.gz RDIODDHGIRORSU-MJGOQNOKSA-N 0 1 387.524 3.223 20 0 GGADMN 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ZINC000830928255 600811139 /nfs/dbraw/zinc/81/11/39/600811139.db2.gz ILTJBTVIVNSFIT-IAQYHMDHSA-N 0 1 394.522 3.036 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2nc(CC(=O)[O-])cs2)[C@@H]1c1cccs1 ZINC000830928257 600811172 /nfs/dbraw/zinc/81/11/72/600811172.db2.gz ILTJBTVIVNSFIT-XHDPSFHLSA-N 0 1 394.522 3.036 20 0 GGADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736587036 600815504 /nfs/dbraw/zinc/81/55/04/600815504.db2.gz TVCCAYMGZBDBLO-INIZCTEOSA-N 0 1 397.479 3.109 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000573330961 600816867 /nfs/dbraw/zinc/81/68/67/600816867.db2.gz HDDIVNZPVLZKGR-UHFFFAOYSA-N 0 1 377.824 3.320 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)cs2)c1 ZINC000833326645 600818474 /nfs/dbraw/zinc/81/84/74/600818474.db2.gz TVAACMOYYIPLAE-KRWDZBQOSA-N 0 1 399.516 3.247 20 0 GGADMN C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830841150 600818832 /nfs/dbraw/zinc/81/88/32/600818832.db2.gz 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CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000829507902 600820554 /nfs/dbraw/zinc/82/05/54/600820554.db2.gz KOXSYQJYXDGDGE-MRXNPFEDSA-N 0 1 387.505 3.247 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000826875836 600820776 /nfs/dbraw/zinc/82/07/76/600820776.db2.gz JIIOLZCWCVVRTG-UHFFFAOYSA-N 0 1 393.228 3.099 20 0 GGADMN CCCCNC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000829395000 600821895 /nfs/dbraw/zinc/82/18/95/600821895.db2.gz DAMNQOFGXMOALQ-HNNXBMFYSA-N 0 1 382.888 3.045 20 0 GGADMN CCOCC[N@H+]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1C ZINC000830011481 600825870 /nfs/dbraw/zinc/82/58/70/600825870.db2.gz GXFGRTQCPPPQTB-HNNXBMFYSA-N 0 1 389.521 3.051 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000832995319 600827752 /nfs/dbraw/zinc/82/77/52/600827752.db2.gz CZTQVLCWSGRIHB-HNNXBMFYSA-N 0 1 392.887 3.038 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000826135056 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FGDZHSOZIIMHTP-BHDDXSALSA-N 0 1 383.488 3.259 20 0 GGADMN Cc1ccc([C@@H](OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924052 600846604 /nfs/dbraw/zinc/84/66/04/600846604.db2.gz FGDZHSOZIIMHTP-BDTNDASRSA-N 0 1 383.488 3.259 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000833107640 600847944 /nfs/dbraw/zinc/84/79/44/600847944.db2.gz XITXILIYMZBHKT-CYBMUJFWSA-N 0 1 376.503 3.499 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000833107640 600847947 /nfs/dbraw/zinc/84/79/47/600847947.db2.gz XITXILIYMZBHKT-CYBMUJFWSA-N 0 1 376.503 3.499 20 0 GGADMN CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000829618532 600851238 /nfs/dbraw/zinc/85/12/38/600851238.db2.gz DLTKAXKIDWQTPR-LJQANCHMSA-N 0 1 378.488 3.038 20 0 GGADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000832929927 600858475 /nfs/dbraw/zinc/85/84/75/600858475.db2.gz NYRSAMRVZIIBNN-UIAACRFSSA-N 0 1 396.487 3.399 20 0 GGADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000832929927 600858478 /nfs/dbraw/zinc/85/84/78/600858478.db2.gz NYRSAMRVZIIBNN-UIAACRFSSA-N 0 1 396.487 3.399 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N(c1ccccc1)C1CCCCC1)C1CCOCC1 ZINC000647366525 600859285 /nfs/dbraw/zinc/85/92/85/600859285.db2.gz QXEUKQFHIQCDFY-UHFFFAOYSA-N 0 1 388.508 3.308 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CCOCC1 ZINC000520406920 600859312 /nfs/dbraw/zinc/85/93/12/600859312.db2.gz VKYXTVAZSHQBCT-UHFFFAOYSA-N 0 1 394.556 3.436 20 0 GGADMN COc1cccc(-c2nc(C[N@@H+](CCC(=O)[O-])C3CCOCC3)cs2)c1 ZINC000579591623 600859380 /nfs/dbraw/zinc/85/93/80/600859380.db2.gz FVNVORIGUPZUNZ-UHFFFAOYSA-N 0 1 376.478 3.274 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000828284317 600862642 /nfs/dbraw/zinc/86/26/42/600862642.db2.gz DCBNWMOZMVZVQM-MNEFBYGVSA-N 0 1 382.460 3.091 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000828284317 600862643 /nfs/dbraw/zinc/86/26/43/600862643.db2.gz DCBNWMOZMVZVQM-MNEFBYGVSA-N 0 1 382.460 3.091 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000831918107 600863114 /nfs/dbraw/zinc/86/31/14/600863114.db2.gz LHUJQTCLJHKUPY-DJIMGWMZSA-N 0 1 389.448 3.199 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000737242322 600866675 /nfs/dbraw/zinc/86/66/75/600866675.db2.gz SSWGFZMAGYLHIM-ACJLOTCBSA-N 0 1 389.521 3.458 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000737242336 600866718 /nfs/dbraw/zinc/86/67/18/600866718.db2.gz SSWGFZMAGYLHIM-UGSOOPFHSA-N 0 1 389.521 3.458 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)CC2)cs1 ZINC000738855261 600909391 /nfs/dbraw/zinc/90/93/91/600909391.db2.gz OJDRWUKWOBVOKE-MRXNPFEDSA-N 0 1 399.516 3.269 20 0 GGADMN Cc1[nH]c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000738153427 600914730 /nfs/dbraw/zinc/91/47/30/600914730.db2.gz CRPWPSNPEKRJHG-CXAGYDPISA-N 0 1 375.494 3.204 20 0 GGADMN Cc1[nH]c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000738153430 600915100 /nfs/dbraw/zinc/91/51/00/600915100.db2.gz CRPWPSNPEKRJHG-SUMWQHHRSA-N 0 1 375.494 3.204 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000830856144 600918466 /nfs/dbraw/zinc/91/84/66/600918466.db2.gz JBOFXMUGWVFGKH-NRFANRHFSA-N 0 1 389.455 3.269 20 0 GGADMN C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000827958257 600920249 /nfs/dbraw/zinc/92/02/49/600920249.db2.gz RTXVMMOYFTWCGA-XHSDSOJGSA-N 0 1 385.464 3.335 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])CC[N@H+]1C ZINC000736762431 600929455 /nfs/dbraw/zinc/92/94/55/600929455.db2.gz QQCJEOCPKZFQJT-KGLIPLIRSA-N 0 1 388.489 3.483 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C(=O)[O-])cc1 ZINC000832923234 600940086 /nfs/dbraw/zinc/94/00/86/600940086.db2.gz WJNQXMHYPNEMPK-RTWAWAEBSA-N 0 1 380.488 3.334 20 0 GGADMN Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000738427122 600949266 /nfs/dbraw/zinc/94/92/66/600949266.db2.gz CABYZUMPGNBCJG-UHFFFAOYSA-N 0 1 396.422 3.089 20 0 GGADMN Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000738427122 600949267 /nfs/dbraw/zinc/94/92/67/600949267.db2.gz CABYZUMPGNBCJG-UHFFFAOYSA-N 0 1 396.422 3.089 20 0 GGADMN O=C([O-])[C@H]1CC12CCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)CC2 ZINC000833178189 600953554 /nfs/dbraw/zinc/95/35/54/600953554.db2.gz PWGKJQYGCRNUQO-OAQYLSRUSA-N 0 1 392.499 3.402 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000738233242 600957545 /nfs/dbraw/zinc/95/75/45/600957545.db2.gz AVMHGUMLCSVIMT-KRWDZBQOSA-N 0 1 390.455 3.343 20 0 GGADMN C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828279423 600961558 /nfs/dbraw/zinc/96/15/58/600961558.db2.gz ZZYZMBAXMKJIIJ-SFHVURJKSA-N 0 1 380.488 3.440 20 0 GGADMN CCc1[nH]c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000830183734 600961685 /nfs/dbraw/zinc/96/16/85/600961685.db2.gz MDQBPWXFXPAFJZ-OAHLLOKOSA-N 0 1 383.492 3.320 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000833287088 600963717 /nfs/dbraw/zinc/96/37/17/600963717.db2.gz FAQPJFATHNRACQ-FQEVSTJZSA-N 0 1 381.476 3.490 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000833287089 600963769 /nfs/dbraw/zinc/96/37/69/600963769.db2.gz FAQPJFATHNRACQ-HXUWFJFHSA-N 0 1 381.476 3.490 20 0 GGADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC000737280177 600965514 /nfs/dbraw/zinc/96/55/14/600965514.db2.gz CUNKHWUGXVKWTH-HIFRSBDPSA-N 0 1 378.494 3.145 20 0 GGADMN CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC000737280174 600965736 /nfs/dbraw/zinc/96/57/36/600965736.db2.gz CUNKHWUGXVKWTH-DZGCQCFKSA-N 0 1 378.494 3.145 20 0 GGADMN C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737452057 600966270 /nfs/dbraw/zinc/96/62/70/600966270.db2.gz XIOWXNYSRXVYDY-INIZCTEOSA-N 0 1 383.322 3.414 20 0 GGADMN C[C@H]1C[C@H](N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC[N@H+]1C ZINC000736762619 600967497 /nfs/dbraw/zinc/96/74/97/600967497.db2.gz RNUPVYFVJCRVEG-CMPLNLGQSA-N 0 1 388.295 3.045 20 0 GGADMN COC[C@@H]1C[N@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])CCO1 ZINC000569347512 600969031 /nfs/dbraw/zinc/96/90/31/600969031.db2.gz FVLHKIFKWLTBSL-KRWDZBQOSA-N 0 1 392.455 3.447 20 0 GGADMN COC[C@@H]1C[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])CCO1 ZINC000569347512 600969034 /nfs/dbraw/zinc/96/90/34/600969034.db2.gz FVLHKIFKWLTBSL-KRWDZBQOSA-N 0 1 392.455 3.447 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000830860836 600969182 /nfs/dbraw/zinc/96/91/82/600969182.db2.gz ZQQFHRGVIRAHHG-DLBZAZTESA-N 0 1 384.476 3.419 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000830860836 600969183 /nfs/dbraw/zinc/96/91/83/600969183.db2.gz ZQQFHRGVIRAHHG-DLBZAZTESA-N 0 1 384.476 3.419 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)cc1 ZINC000737983528 600969757 /nfs/dbraw/zinc/96/97/57/600969757.db2.gz BGYIWBXFJWNORO-QGZVFWFLSA-N 0 1 384.476 3.476 20 0 GGADMN COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-])cc1 ZINC000738113506 600972221 /nfs/dbraw/zinc/97/22/21/600972221.db2.gz HDPWJADEMOTBLM-INIZCTEOSA-N 0 1 384.476 3.288 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736410395 600973106 /nfs/dbraw/zinc/97/31/06/600973106.db2.gz CBKRPMJVFGEWAW-LSDHHAIUSA-N 0 1 381.542 3.061 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736410395 600973108 /nfs/dbraw/zinc/97/31/08/600973108.db2.gz CBKRPMJVFGEWAW-LSDHHAIUSA-N 0 1 381.542 3.061 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)n1 ZINC000736523530 600974533 /nfs/dbraw/zinc/97/45/33/600974533.db2.gz ZLUDKEUVQKOCGG-GOEBONIOSA-N 0 1 393.553 3.158 20 0 GGADMN Cc1cccc(C2(O)CC[NH+](CC(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1C ZINC000738533221 600975001 /nfs/dbraw/zinc/97/50/01/600975001.db2.gz QXKVREJOWGUIBH-UHFFFAOYSA-N 0 1 396.487 3.232 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC2(C1)CCCCC2 ZINC000737505500 600975589 /nfs/dbraw/zinc/97/55/89/600975589.db2.gz LOLRTMGXLDWDFA-LJQANCHMSA-N 0 1 383.492 3.378 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])C12CCCCC2 ZINC000737158865 600980113 /nfs/dbraw/zinc/98/01/13/600980113.db2.gz UJLCQASVDSFLPF-MOPGFXCFSA-N 0 1 388.508 3.407 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000737865172 600980520 /nfs/dbraw/zinc/98/05/20/600980520.db2.gz JGNDEGZVBMFNGE-NSISKUIASA-N 0 1 399.487 3.259 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000737865171 600980902 /nfs/dbraw/zinc/98/09/02/600980902.db2.gz JGNDEGZVBMFNGE-DBVUQKKJSA-N 0 1 399.487 3.259 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000736810236 600981290 /nfs/dbraw/zinc/98/12/90/600981290.db2.gz SWWSTSVSGVKYCW-ZPMCFJSWSA-N 0 1 392.499 3.150 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000737865173 600981319 /nfs/dbraw/zinc/98/13/19/600981319.db2.gz JGNDEGZVBMFNGE-PWIZWCRZSA-N 0 1 399.487 3.259 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000736810232 600981504 /nfs/dbraw/zinc/98/15/04/600981504.db2.gz SWWSTSVSGVKYCW-WTNAPCKOSA-N 0 1 392.499 3.150 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C(=O)[O-] ZINC000827914823 600982477 /nfs/dbraw/zinc/98/24/77/600982477.db2.gz HCXWACNBMPKJIF-GDBMZVCRSA-N 0 1 376.522 3.056 20 0 GGADMN CCN(C(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2s1 ZINC000829591027 600986028 /nfs/dbraw/zinc/98/60/28/600986028.db2.gz MKGNDCJBIHQLLG-BMFZPTHFSA-N 0 1 387.505 3.367 20 0 GGADMN CCN(C(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2s1 ZINC000829591027 600986030 /nfs/dbraw/zinc/98/60/30/600986030.db2.gz MKGNDCJBIHQLLG-BMFZPTHFSA-N 0 1 387.505 3.367 20 0 GGADMN CCN(C(=O)C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1nc2ccccc2s1 ZINC000829591028 600986034 /nfs/dbraw/zinc/98/60/34/600986034.db2.gz MKGNDCJBIHQLLG-BPUTZDHNSA-N 0 1 387.505 3.367 20 0 GGADMN CCN(C(=O)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1nc2ccccc2s1 ZINC000829591028 600986036 /nfs/dbraw/zinc/98/60/36/600986036.db2.gz MKGNDCJBIHQLLG-BPUTZDHNSA-N 0 1 387.505 3.367 20 0 GGADMN CCN(C(=O)C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1nc2ccccc2s1 ZINC000829591030 600986087 /nfs/dbraw/zinc/98/60/87/600986087.db2.gz MKGNDCJBIHQLLG-KBMXLJTQSA-N 0 1 387.505 3.367 20 0 GGADMN CCN(C(=O)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1nc2ccccc2s1 ZINC000829591030 600986088 /nfs/dbraw/zinc/98/60/88/600986088.db2.gz MKGNDCJBIHQLLG-KBMXLJTQSA-N 0 1 387.505 3.367 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650504483 600989089 /nfs/dbraw/zinc/98/90/89/600989089.db2.gz OWOIMEOEPNKGFL-SFHVURJKSA-N 0 1 384.480 3.065 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650504483 600989092 /nfs/dbraw/zinc/98/90/92/600989092.db2.gz OWOIMEOEPNKGFL-SFHVURJKSA-N 0 1 384.480 3.065 20 0 GGADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833159531 600989172 /nfs/dbraw/zinc/98/91/72/600989172.db2.gz SVGVNSLMYHUFMG-PXAZEXFGSA-N 0 1 391.830 3.351 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccccc1)C(=O)[O-] ZINC000827450385 600992511 /nfs/dbraw/zinc/99/25/11/600992511.db2.gz WLYJIKCASRCCMT-HNNXBMFYSA-N 0 1 397.500 3.482 20 0 GGADMN CCOCC[N@H+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000830012326 601000500 /nfs/dbraw/zinc/00/05/00/601000500.db2.gz YKEDNFPGZRHWRL-LRDDRELGSA-N 0 1 375.296 3.162 20 0 GGADMN Cn1cc(C[N@@H+]2CCCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000833046389 601000722 /nfs/dbraw/zinc/00/07/22/601000722.db2.gz OWTWHWPQGDDMEY-QGZVFWFLSA-N 0 1 397.306 3.061 20 0 GGADMN Cn1cc(C[N@H+]2CCCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000833046389 601000725 /nfs/dbraw/zinc/00/07/25/601000725.db2.gz OWTWHWPQGDDMEY-QGZVFWFLSA-N 0 1 397.306 3.061 20 0 GGADMN Cn1cc(CN2CCC[N@@H+]([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000833046389 601000729 /nfs/dbraw/zinc/00/07/29/601000729.db2.gz OWTWHWPQGDDMEY-QGZVFWFLSA-N 0 1 397.306 3.061 20 0 GGADMN Cn1cc(CN2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000833046389 601000733 /nfs/dbraw/zinc/00/07/33/601000733.db2.gz OWTWHWPQGDDMEY-QGZVFWFLSA-N 0 1 397.306 3.061 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000832915215 601010518 /nfs/dbraw/zinc/01/05/18/601010518.db2.gz ICYKPHJMGLNYFV-IBGZPJMESA-N 0 1 381.476 3.233 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000564092737 601013767 /nfs/dbraw/zinc/01/37/67/601013767.db2.gz KLPLTOSELNPZBT-LBPRGKRZSA-N 0 1 387.383 3.148 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000564092737 601013768 /nfs/dbraw/zinc/01/37/68/601013768.db2.gz KLPLTOSELNPZBT-LBPRGKRZSA-N 0 1 387.383 3.148 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000564092736 601013910 /nfs/dbraw/zinc/01/39/10/601013910.db2.gz KLPLTOSELNPZBT-GFCCVEGCSA-N 0 1 387.383 3.148 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000564092736 601013912 /nfs/dbraw/zinc/01/39/12/601013912.db2.gz KLPLTOSELNPZBT-GFCCVEGCSA-N 0 1 387.383 3.148 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000833172994 601015136 /nfs/dbraw/zinc/01/51/36/601015136.db2.gz YUPVXLQWCWKSJS-PBHICJAKSA-N 0 1 387.307 3.306 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000833172995 601015141 /nfs/dbraw/zinc/01/51/41/601015141.db2.gz YUPVXLQWCWKSJS-RHSMWYFYSA-N 0 1 387.307 3.306 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000830718442 601016847 /nfs/dbraw/zinc/01/68/47/601016847.db2.gz SNUQRLBUPAMSJX-SFHVURJKSA-N 0 1 397.475 3.136 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221109 601016906 /nfs/dbraw/zinc/01/69/06/601016906.db2.gz BFNYOXHRFZEBNY-FXAWDEMLSA-N 0 1 394.512 3.065 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221109 601016910 /nfs/dbraw/zinc/01/69/10/601016910.db2.gz BFNYOXHRFZEBNY-FXAWDEMLSA-N 0 1 394.512 3.065 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC000736873871 601017691 /nfs/dbraw/zinc/01/76/91/601017691.db2.gz BVRZRRAGCWNMLD-QSFXBCCZSA-N 0 1 376.497 3.228 20 0 GGADMN COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000737986139 601018062 /nfs/dbraw/zinc/01/80/62/601018062.db2.gz KNJAVONQNNUJMW-OALUTQOASA-N 0 1 376.497 3.228 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000829873924 601020666 /nfs/dbraw/zinc/02/06/66/601020666.db2.gz WXBWEEVRNXMJQR-AWEZNQCLSA-N 0 1 388.489 3.112 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000829873924 601020670 /nfs/dbraw/zinc/02/06/70/601020670.db2.gz WXBWEEVRNXMJQR-AWEZNQCLSA-N 0 1 388.489 3.112 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000319906684 601021362 /nfs/dbraw/zinc/02/13/62/601021362.db2.gz YBHLFNMMZGNURN-SNVBAGLBSA-N 0 1 377.293 3.214 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642345 601021734 /nfs/dbraw/zinc/02/17/34/601021734.db2.gz JRMBGAOOIMINLM-RYUDHWBXSA-N 0 1 376.375 3.162 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000829641877 601021779 /nfs/dbraw/zinc/02/17/79/601021779.db2.gz CBQICQOEOBLILC-WFASDCNBSA-N 0 1 390.377 3.074 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000833223480 601023022 /nfs/dbraw/zinc/02/30/22/601023022.db2.gz ZIRUIQGHSYKUPP-LJQANCHMSA-N 0 1 384.501 3.112 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000833223480 601023024 /nfs/dbraw/zinc/02/30/24/601023024.db2.gz ZIRUIQGHSYKUPP-LJQANCHMSA-N 0 1 384.501 3.112 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000321500624 601023407 /nfs/dbraw/zinc/02/34/07/601023407.db2.gz ABYNLYONZFGCMH-NSHDSACASA-N 0 1 377.293 3.214 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827637017 601025447 /nfs/dbraw/zinc/02/54/47/601025447.db2.gz QGJRJNYFGZKGEA-PWSUYJOCSA-N 0 1 391.320 3.063 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827637017 601025449 /nfs/dbraw/zinc/02/54/49/601025449.db2.gz QGJRJNYFGZKGEA-PWSUYJOCSA-N 0 1 391.320 3.063 20 0 GGADMN CCCCOc1ccc(-c2nnc(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])o2)cc1 ZINC000829421442 601025585 /nfs/dbraw/zinc/02/55/85/601025585.db2.gz BHDLFMCKHFZEEI-HNNXBMFYSA-N 0 1 391.493 3.308 20 0 GGADMN CCCCOc1ccc(-c2nnc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])o2)cc1 ZINC000829421442 601025588 /nfs/dbraw/zinc/02/55/88/601025588.db2.gz BHDLFMCKHFZEEI-HNNXBMFYSA-N 0 1 391.493 3.308 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000825822429 601027200 /nfs/dbraw/zinc/02/72/00/601027200.db2.gz BPGUYCXQAIGCMT-YLJYHZDGSA-N 0 1 385.464 3.047 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000164549808 601030024 /nfs/dbraw/zinc/03/00/24/601030024.db2.gz PONHESQZZBTLAN-FXAWDEMLSA-N 0 1 386.879 3.342 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](C(=O)[O-])C3)[C@@H](c3ccco3)C2)cc1 ZINC000738581153 601031281 /nfs/dbraw/zinc/03/12/81/601031281.db2.gz CAAIWRKDYKANFT-PKOBYXMFSA-N 0 1 395.459 3.062 20 0 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Cc1[nH]c(C(=O)[C@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843445 601045605 /nfs/dbraw/zinc/04/56/05/601045605.db2.gz WZVATWNGQZNUIG-PKOBYXMFSA-N 0 1 397.519 3.355 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000832916899 601046011 /nfs/dbraw/zinc/04/60/11/601046011.db2.gz SNWOPTAOBUUYFO-LJQANCHMSA-N 0 1 395.503 3.086 20 0 GGADMN O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CCOCC1 ZINC000568274731 601046591 /nfs/dbraw/zinc/04/65/91/601046591.db2.gz LBKZCLFILSKIHM-UHFFFAOYSA-N 0 1 398.459 3.373 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000830852661 601047633 /nfs/dbraw/zinc/04/76/33/601047633.db2.gz TTWAGQLFEZVTIV-FQEVSTJZSA-N 0 1 381.476 3.442 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000832915186 601047855 /nfs/dbraw/zinc/04/78/55/601047855.db2.gz HYVOHEFSWAGHBO-SFHVURJKSA-N 0 1 395.503 3.228 20 0 GGADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000832931503 601047868 /nfs/dbraw/zinc/04/78/68/601047868.db2.gz ZDHPOZYXYOQSHZ-BQHKEAAHSA-N 0 1 378.494 3.253 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000830755879 601049111 /nfs/dbraw/zinc/04/91/11/601049111.db2.gz IKKHACDEIVPFCT-ZDUSSCGKSA-N 0 1 385.411 3.324 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CCOCC1 ZINC000563122932 601049989 /nfs/dbraw/zinc/04/99/89/601049989.db2.gz AVMRIVLYYOIPCU-UHFFFAOYSA-N 0 1 382.460 3.395 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000662232061 601050331 /nfs/dbraw/zinc/05/03/31/601050331.db2.gz FLVWMBVNCOYLDZ-OAQYLSRUSA-N 0 1 378.472 3.497 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000833104503 601052012 /nfs/dbraw/zinc/05/20/12/601052012.db2.gz CGGLXVPACLXSBD-UHFFFAOYSA-N 0 1 387.263 3.133 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC2(C1)CCOCC2 ZINC000833104503 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393.484 3.178 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000829396353 601084861 /nfs/dbraw/zinc/08/48/61/601084861.db2.gz NUJQAPOAVYWNCS-OAHLLOKOSA-N 0 1 393.484 3.178 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)CN1C(=O)OC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000736583187 601088557 /nfs/dbraw/zinc/08/85/57/601088557.db2.gz LIWPYZMUYGOJCZ-XLIONFOSSA-N 0 1 382.460 3.230 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)CN1C(=O)CC2(CCC(C)CC2)C1=O)C(=O)[O-] ZINC000736773819 601089926 /nfs/dbraw/zinc/08/99/26/601089926.db2.gz XOMRPPYCAKOTIP-PSCUFVCCSA-N 0 1 386.492 3.122 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)CN1C(=O)CC2(CCC(C)CC2)C1=O)C(=O)[O-] ZINC000736773819 601089929 /nfs/dbraw/zinc/08/99/29/601089929.db2.gz XOMRPPYCAKOTIP-PSCUFVCCSA-N 0 1 386.492 3.122 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585776 601090149 /nfs/dbraw/zinc/09/01/49/601090149.db2.gz VTBRSYRPQYINLS-IRXDYDNUSA-N 0 1 395.459 3.024 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585776 601090152 /nfs/dbraw/zinc/09/01/52/601090152.db2.gz VTBRSYRPQYINLS-IRXDYDNUSA-N 0 1 395.459 3.024 20 0 GGADMN O=C([O-])c1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)n1 ZINC000740215560 601096359 /nfs/dbraw/zinc/09/63/59/601096359.db2.gz ZMAMBFIZSPOHHB-UHFFFAOYSA-N 0 1 393.487 3.441 20 0 GGADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833009558 601096389 /nfs/dbraw/zinc/09/63/89/601096389.db2.gz ZZQWRDVMBLUYCY-UHFFFAOYSA-N 0 1 393.447 3.260 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000833009424 601096517 /nfs/dbraw/zinc/09/65/17/601096517.db2.gz UCAYZJQSLLSIPT-UHFFFAOYSA-N 0 1 393.447 3.260 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000630225468 601099936 /nfs/dbraw/zinc/09/99/36/601099936.db2.gz VPVDDDSNGAWHPS-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN Cc1ccc2c(Cl)c(C(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)sc2c1 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PNMYJZPETZUXMZ-JXFKEZNVSA-N 0 1 396.491 3.486 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412160 601133551 /nfs/dbraw/zinc/13/35/51/601133551.db2.gz GQSFGMZWFNGIFR-MRXNPFEDSA-N 0 1 384.480 3.486 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cs2)c1 ZINC000832926687 601151519 /nfs/dbraw/zinc/15/15/19/601151519.db2.gz ZZUQNPVFJJAGHJ-AWEZNQCLSA-N 0 1 375.494 3.094 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)C[C@H](C)C(=O)[O-])cs2)c1 ZINC000832926687 601151520 /nfs/dbraw/zinc/15/15/20/601151520.db2.gz ZZUQNPVFJJAGHJ-AWEZNQCLSA-N 0 1 375.494 3.094 20 0 GGADMN Cc1oc(CN(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C(=O)[O-] ZINC000833025079 601152228 /nfs/dbraw/zinc/15/22/28/601152228.db2.gz AFRJNWAQWQICCX-OAHLLOKOSA-N 0 1 387.480 3.338 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844371 601156473 /nfs/dbraw/zinc/15/64/73/601156473.db2.gz QGCMQDYQQSZJSE-KBPBESRZSA-N 0 1 376.478 3.162 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844371 601156476 /nfs/dbraw/zinc/15/64/76/601156476.db2.gz QGCMQDYQQSZJSE-KBPBESRZSA-N 0 1 376.478 3.162 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000832914494 601156617 /nfs/dbraw/zinc/15/66/17/601156617.db2.gz CUZVWYGSSCOBMB-DOTOQJQBSA-N 0 1 388.489 3.281 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000832914494 601156618 /nfs/dbraw/zinc/15/66/18/601156618.db2.gz CUZVWYGSSCOBMB-DOTOQJQBSA-N 0 1 388.489 3.281 20 0 GGADMN O=C([O-])c1sc2ccccc2c1C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000833347760 601170452 /nfs/dbraw/zinc/17/04/52/601170452.db2.gz RSDCUFJMRHSZBO-UHFFFAOYSA-N 0 1 396.468 3.263 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])CC2)[nH+]c1 ZINC000832936629 601170597 /nfs/dbraw/zinc/17/05/97/601170597.db2.gz NFDAOQXPFNEJHV-OXQOHEQNSA-N 0 1 381.476 3.185 20 0 GGADMN C[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)[C@H]1c1ccccc1 ZINC000828439121 601178760 /nfs/dbraw/zinc/17/87/60/601178760.db2.gz HFQWILWDKIPMGR-IPHXSNPTSA-N 0 1 391.471 3.414 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257839 601179464 /nfs/dbraw/zinc/17/94/64/601179464.db2.gz MLFLRHIDKYRUOG-TYILLQQXSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257839 601179465 /nfs/dbraw/zinc/17/94/65/601179465.db2.gz MLFLRHIDKYRUOG-TYILLQQXSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257836 601179514 /nfs/dbraw/zinc/17/95/14/601179514.db2.gz MLFLRHIDKYRUOG-BIENJYKASA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257836 601179515 /nfs/dbraw/zinc/17/95/15/601179515.db2.gz MLFLRHIDKYRUOG-BIENJYKASA-N 0 1 396.443 3.191 20 0 GGADMN C[C@]1(O)CC[N@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C1 ZINC000828110867 601183142 /nfs/dbraw/zinc/18/31/42/601183142.db2.gz XWAHHFXKHFNIQH-SFHVURJKSA-N 0 1 394.880 3.162 20 0 GGADMN C[C@]1(O)CC[N@@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C1 ZINC000828110867 601183144 /nfs/dbraw/zinc/18/31/44/601183144.db2.gz XWAHHFXKHFNIQH-SFHVURJKSA-N 0 1 394.880 3.162 20 0 GGADMN C[N@H+](CC(=O)NCCC(=O)[O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830674872 601184177 /nfs/dbraw/zinc/18/41/77/601184177.db2.gz UDCAEASLGRCUEP-LJQANCHMSA-N 0 1 378.831 3.091 20 0 GGADMN C[N@@H+](CC(=O)NCCC(=O)[O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830674872 601184178 /nfs/dbraw/zinc/18/41/78/601184178.db2.gz UDCAEASLGRCUEP-LJQANCHMSA-N 0 1 378.831 3.091 20 0 GGADMN O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000833233364 601186302 /nfs/dbraw/zinc/18/63/02/601186302.db2.gz TZHCSBAMFFTCNI-MRXNPFEDSA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000833233363 601186386 /nfs/dbraw/zinc/18/63/86/601186386.db2.gz TZHCSBAMFFTCNI-INIZCTEOSA-N 0 1 394.462 3.423 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2)C[C@H](C)O1 ZINC000663119820 601187535 /nfs/dbraw/zinc/18/75/35/601187535.db2.gz OMXKAGUSTKCIGS-IRXDYDNUSA-N 0 1 388.508 3.203 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000830785205 601191141 /nfs/dbraw/zinc/19/11/41/601191141.db2.gz LSBRNLQGKBLHOX-UHFFFAOYSA-N 0 1 379.819 3.431 20 0 GGADMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829160233 601191911 /nfs/dbraw/zinc/19/19/11/601191911.db2.gz GFCANLNAOZUWCV-DLBZAZTESA-N 0 1 386.496 3.076 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000829458035 601192168 /nfs/dbraw/zinc/19/21/68/601192168.db2.gz IFSCYZKGNYRZRW-MRXNPFEDSA-N 0 1 388.512 3.181 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000826785642 601195813 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HBBVLDPYNRDSIK-GFCCVEGCSA-N 0 1 392.297 3.474 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000829613104 601225353 /nfs/dbraw/zinc/22/53/53/601225353.db2.gz HBBVLDPYNRDSIK-LBPRGKRZSA-N 0 1 392.297 3.474 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC[N@H+]2C)cc1 ZINC000832265217 601240214 /nfs/dbraw/zinc/24/02/14/601240214.db2.gz LJMMOQFNUYUTJE-LSTDLKDCSA-N 0 1 375.465 3.122 20 0 GGADMN CCN1CC[NH+](Cc2ccccc2CNc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC000829776353 601248565 /nfs/dbraw/zinc/24/85/65/601248565.db2.gz MWEROUGRKIGEGX-UHFFFAOYSA-N 0 1 394.928 3.244 20 0 GGADMN C[N@@H+](Cc1ccccc1CNC(=O)c1ccnc(C(=O)[O-])c1)C1CCCCC1 ZINC000830857409 601248741 /nfs/dbraw/zinc/24/87/41/601248741.db2.gz ZMFCZYYWRWARSL-UHFFFAOYSA-N 0 1 381.476 3.474 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000832869471 601268026 /nfs/dbraw/zinc/26/80/26/601268026.db2.gz XKQUVJGYEOBJBD-AWEZNQCLSA-N 0 1 399.472 3.227 20 0 GGADMN O=C([O-])c1ccc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000833313528 601274325 /nfs/dbraw/zinc/27/43/25/601274325.db2.gz YBIIOBOSTXVWPE-HXUWFJFHSA-N 0 1 384.451 3.237 20 0 GGADMN O=C([O-])c1ccc(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000833313528 601274326 /nfs/dbraw/zinc/27/43/26/601274326.db2.gz YBIIOBOSTXVWPE-HXUWFJFHSA-N 0 1 384.451 3.237 20 0 GGADMN O=C([O-])c1n[nH]c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc21 ZINC000833344238 601275006 /nfs/dbraw/zinc/27/50/06/601275006.db2.gz HQFKBFMWINUVFP-KRWDZBQOSA-N 0 1 382.395 3.003 20 0 GGADMN O=C([O-])c1n[nH]c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc21 ZINC000833344238 601275007 /nfs/dbraw/zinc/27/50/07/601275007.db2.gz HQFKBFMWINUVFP-KRWDZBQOSA-N 0 1 382.395 3.003 20 0 GGADMN O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000833249279 601284641 /nfs/dbraw/zinc/28/46/41/601284641.db2.gz QVSFIAQIDWDZAZ-OAHLLOKOSA-N 0 1 380.435 3.033 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000833215242 601289455 /nfs/dbraw/zinc/28/94/55/601289455.db2.gz BHHAKBVFHPHGLG-JXFKEZNVSA-N 0 1 382.435 3.395 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000833215242 601289457 /nfs/dbraw/zinc/28/94/57/601289457.db2.gz BHHAKBVFHPHGLG-JXFKEZNVSA-N 0 1 382.435 3.395 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164757 601290955 /nfs/dbraw/zinc/29/09/55/601290955.db2.gz YMACLXYEUWNQEE-WOJBJXKFSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164757 601290957 /nfs/dbraw/zinc/29/09/57/601290957.db2.gz YMACLXYEUWNQEE-WOJBJXKFSA-N 0 1 384.451 3.165 20 0 GGADMN CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829722635 601303282 /nfs/dbraw/zinc/30/32/82/601303282.db2.gz OWTBMSXZYCYLKF-CQSZACIVSA-N 0 1 388.464 3.440 20 0 GGADMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829722635 601303284 /nfs/dbraw/zinc/30/32/84/601303284.db2.gz OWTBMSXZYCYLKF-CQSZACIVSA-N 0 1 388.464 3.440 20 0 GGADMN CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829722615 601303337 /nfs/dbraw/zinc/30/33/37/601303337.db2.gz OWTBMSXZYCYLKF-AWEZNQCLSA-N 0 1 388.464 3.440 20 0 GGADMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829722615 601303340 /nfs/dbraw/zinc/30/33/40/601303340.db2.gz OWTBMSXZYCYLKF-AWEZNQCLSA-N 0 1 388.464 3.440 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710035 601318588 /nfs/dbraw/zinc/31/85/88/601318588.db2.gz UYHYRWGZDLFWLN-SZNDQCEHSA-N 0 1 383.492 3.181 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710035 601318591 /nfs/dbraw/zinc/31/85/91/601318591.db2.gz UYHYRWGZDLFWLN-SZNDQCEHSA-N 0 1 383.492 3.181 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710031 601318613 /nfs/dbraw/zinc/31/86/13/601318613.db2.gz UYHYRWGZDLFWLN-QKKBWIMNSA-N 0 1 383.492 3.181 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710031 601318616 /nfs/dbraw/zinc/31/86/16/601318616.db2.gz UYHYRWGZDLFWLN-QKKBWIMNSA-N 0 1 383.492 3.181 20 0 GGADMN Cn1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833045403 601324313 /nfs/dbraw/zinc/32/43/13/601324313.db2.gz LJRIWEKXZUVFRT-SFHVURJKSA-N 0 1 395.381 3.116 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000830368736 601325633 /nfs/dbraw/zinc/32/56/33/601325633.db2.gz BCVIWDMTWPJQOZ-UHFFFAOYSA-N 0 1 384.476 3.207 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000830368736 601325635 /nfs/dbraw/zinc/32/56/35/601325635.db2.gz BCVIWDMTWPJQOZ-UHFFFAOYSA-N 0 1 384.476 3.207 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@H](c4ccccc4)[C@H]3C)nc(=O)c12 ZINC000832852830 601328850 /nfs/dbraw/zinc/32/88/50/601328850.db2.gz LWNNZKNNCOPQJL-TZMCWYRMSA-N 0 1 383.473 3.369 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@@H](c4ccccc4)[C@H]3C)nc(=O)c12 ZINC000832852830 601328852 /nfs/dbraw/zinc/32/88/52/601328852.db2.gz LWNNZKNNCOPQJL-TZMCWYRMSA-N 0 1 383.473 3.369 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828456240 601332379 /nfs/dbraw/zinc/33/23/79/601332379.db2.gz JSSIYUZKDBGKHE-DYESRHJHSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828455362 601334938 /nfs/dbraw/zinc/33/49/38/601334938.db2.gz ACSIPFUTCKKSGX-JXFKEZNVSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000828455764 601335128 /nfs/dbraw/zinc/33/51/28/601335128.db2.gz GLKORTFYXJGOTA-LAUBAEHRSA-N 0 1 395.503 3.437 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828455649 601335250 /nfs/dbraw/zinc/33/52/50/601335250.db2.gz DRJYSLOZVHQDCD-JXFKEZNVSA-N 0 1 397.475 3.182 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828457136 601335253 /nfs/dbraw/zinc/33/52/53/601335253.db2.gz RUWIXBMOTRUXIO-UZLBHIALSA-N 0 1 397.475 3.182 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829160283 601336812 /nfs/dbraw/zinc/33/68/12/601336812.db2.gz HCBAUVCDRGEBSM-KBPBESRZSA-N 0 1 397.422 3.467 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000831919613 601360707 /nfs/dbraw/zinc/36/07/07/601360707.db2.gz YFRXSLQBYPLEBX-LZQZEXGQSA-N 0 1 385.460 3.011 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000826026664 601380018 /nfs/dbraw/zinc/38/00/18/601380018.db2.gz PULGGDFJMBZGIW-WCQYABFASA-N 0 1 377.441 3.073 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000826026664 601380020 /nfs/dbraw/zinc/38/00/20/601380020.db2.gz PULGGDFJMBZGIW-WCQYABFASA-N 0 1 377.441 3.073 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cn1c(=O)oc2ccc(Br)cc21 ZINC000830819551 601398248 /nfs/dbraw/zinc/39/82/48/601398248.db2.gz VYOMMXMJKJYUCU-UHFFFAOYSA-N 0 1 391.221 3.145 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cn1c(=O)oc2ccc(Br)cc21 ZINC000830819551 601398250 /nfs/dbraw/zinc/39/82/50/601398250.db2.gz VYOMMXMJKJYUCU-UHFFFAOYSA-N 0 1 391.221 3.145 20 0 GGADMN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000830519950 601400348 /nfs/dbraw/zinc/40/03/48/601400348.db2.gz YQIKPHOPOQCIEQ-UHFFFAOYSA-N 0 1 388.468 3.023 20 0 GGADMN COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000831060299 601400567 /nfs/dbraw/zinc/40/05/67/601400567.db2.gz SESLCDNIORXQOD-HNNXBMFYSA-N 0 1 381.432 3.003 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(Cn3nc(C(=O)[O-])c4ccccc43)CC2)c1 ZINC000832533843 601400601 /nfs/dbraw/zinc/40/06/01/601400601.db2.gz RHGVUGYBIZGMQD-MRXNPFEDSA-N 0 1 394.475 3.079 20 0 GGADMN CC[N@@H+](CC1CCN(c2ccccn2)CC1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829692915 601401229 /nfs/dbraw/zinc/40/12/29/601401229.db2.gz QSRVTZRKMISMEP-UHFFFAOYSA-N 0 1 393.491 3.326 20 0 GGADMN C[N@@H+](CCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)Cc1ccccc1 ZINC000830785411 601412821 /nfs/dbraw/zinc/41/28/21/601412821.db2.gz SHZJPXOVHOOUOF-SFHVURJKSA-N 0 1 389.883 3.287 20 0 GGADMN O=C([O-])C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000833135809 601416039 /nfs/dbraw/zinc/41/60/39/601416039.db2.gz JAQMWLWFBOXNII-YQQQUEKLSA-N 0 1 385.508 3.126 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000830369209 601420293 /nfs/dbraw/zinc/42/02/93/601420293.db2.gz LHLWQCHUULYEON-QGZVFWFLSA-N 0 1 398.459 3.468 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000830369209 601420295 /nfs/dbraw/zinc/42/02/95/601420295.db2.gz LHLWQCHUULYEON-QGZVFWFLSA-N 0 1 398.459 3.468 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1c1cccs1 ZINC000830927735 601423893 /nfs/dbraw/zinc/42/38/93/601423893.db2.gz CCDSHXBZZVWOHS-GDBMZVCRSA-N 0 1 379.526 3.075 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000833180386 601432098 /nfs/dbraw/zinc/43/20/98/601432098.db2.gz UKBIHXICFYBRNK-ROUUACIJSA-N 0 1 390.549 3.378 20 0 GGADMN COc1ccc(OC)c([C@H](O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000832431343 601433508 /nfs/dbraw/zinc/43/35/08/601433508.db2.gz NMVZTAKHMFKDFU-AYOQOUSVSA-N 0 1 377.481 3.093 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828378370 601478684 /nfs/dbraw/zinc/47/86/84/601478684.db2.gz QFMPDVRLAVZRGF-HNAYVOBHSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828378370 601478686 /nfs/dbraw/zinc/47/86/86/601478686.db2.gz QFMPDVRLAVZRGF-HNAYVOBHSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828378403 601478752 /nfs/dbraw/zinc/47/87/52/601478752.db2.gz QJYIVUYAVHGQOR-KXBFYZLASA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828378403 601478754 /nfs/dbraw/zinc/47/87/54/601478754.db2.gz QJYIVUYAVHGQOR-KXBFYZLASA-N 0 1 398.463 3.048 20 0 GGADMN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000831586416 601488810 /nfs/dbraw/zinc/48/88/10/601488810.db2.gz WKQMVQISCDQVKA-LJQANCHMSA-N 0 1 391.493 3.106 20 0 GGADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1ncc(-c2cccc(Br)c2)o1 ZINC000831586743 601488876 /nfs/dbraw/zinc/48/88/76/601488876.db2.gz YQUUIVPCJAYIFZ-INIZCTEOSA-N 0 1 383.242 3.074 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832258218 601507228 /nfs/dbraw/zinc/50/72/28/601507228.db2.gz HAZQACMXIDMQMG-VPWXQRGCSA-N 0 1 382.460 3.336 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832258215 601507366 /nfs/dbraw/zinc/50/73/66/601507366.db2.gz HAZQACMXIDMQMG-SYNHAJSKSA-N 0 1 382.460 3.336 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000825823320 601513430 /nfs/dbraw/zinc/51/34/30/601513430.db2.gz OGZIUCGMMFUXBD-MEDUHNTESA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000825823320 601513432 /nfs/dbraw/zinc/51/34/32/601513432.db2.gz OGZIUCGMMFUXBD-MEDUHNTESA-N 0 1 377.441 3.119 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424013 601513578 /nfs/dbraw/zinc/51/35/78/601513578.db2.gz NVQRJHQJIKNJPB-RVKKMQEKSA-N 0 1 399.516 3.353 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424015 601514289 /nfs/dbraw/zinc/51/42/89/601514289.db2.gz NVQRJHQJIKNJPB-VKJFTORMSA-N 0 1 399.516 3.353 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1OC ZINC000830054246 601523992 /nfs/dbraw/zinc/52/39/92/601523992.db2.gz WRYKANOVYPRANX-WFASDCNBSA-N 0 1 376.478 3.370 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)cs2)cc1OC ZINC000830054245 601524122 /nfs/dbraw/zinc/52/41/22/601524122.db2.gz WRYKANOVYPRANX-SWLSCSKDSA-N 0 1 376.478 3.370 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)nc1-c1ccc(Cl)cc1 ZINC000263335374 601525288 /nfs/dbraw/zinc/52/52/88/601525288.db2.gz MIWCKDQXYCHSCD-QMTHXVAHSA-N 0 1 393.896 3.363 20 0 GGADMN CCc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c2cccs2)cc1 ZINC000830238272 601525777 /nfs/dbraw/zinc/52/57/77/601525777.db2.gz QSBBTILCABYRNN-LIVBEALHSA-N 0 1 386.517 3.169 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828309887 601528055 /nfs/dbraw/zinc/52/80/55/601528055.db2.gz GXFYDLQUVMASLM-DCQANWLSSA-N 0 1 375.494 3.235 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828309887 601528056 /nfs/dbraw/zinc/52/80/56/601528056.db2.gz GXFYDLQUVMASLM-DCQANWLSSA-N 0 1 375.494 3.235 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000422593745 601529392 /nfs/dbraw/zinc/52/93/92/601529392.db2.gz VGMSVELWRHAXJF-VMRPVKRXSA-N 0 1 384.451 3.026 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828441826 601529703 /nfs/dbraw/zinc/52/97/03/601529703.db2.gz UAFSPZVSHCUXMX-MAUKXSAKSA-N 0 1 396.491 3.121 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421440 601529891 /nfs/dbraw/zinc/52/98/91/601529891.db2.gz FSORZJDXVRJCOV-FMKPAKJESA-N 0 1 388.464 3.098 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000828430255 601538617 /nfs/dbraw/zinc/53/86/17/601538617.db2.gz AORGBDFHYDSTJR-WNYOCNMUSA-N 0 1 386.879 3.198 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000832873704 601540328 /nfs/dbraw/zinc/54/03/28/601540328.db2.gz LMNXWGUCJUHHBJ-LSDHHAIUSA-N 0 1 387.505 3.326 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000832873704 601540329 /nfs/dbraw/zinc/54/03/29/601540329.db2.gz LMNXWGUCJUHHBJ-LSDHHAIUSA-N 0 1 387.505 3.326 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000833179480 601540730 /nfs/dbraw/zinc/54/07/30/601540730.db2.gz NSKYAAQYPLWZGX-XHSDSOJGSA-N 0 1 390.446 3.143 20 0 GGADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000833107431 601541962 /nfs/dbraw/zinc/54/19/62/601541962.db2.gz VVRCCTOIXDOFAY-FUHWJXTLSA-N 0 1 388.512 3.292 20 0 GGADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000833107431 601541963 /nfs/dbraw/zinc/54/19/63/601541963.db2.gz VVRCCTOIXDOFAY-FUHWJXTLSA-N 0 1 388.512 3.292 20 0 GGADMN C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(OC)c1 ZINC000571054916 601543732 /nfs/dbraw/zinc/54/37/32/601543732.db2.gz RWIXHGROGAOQGG-YWYPQMBHSA-N 0 1 397.471 3.152 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000584236918 601543957 /nfs/dbraw/zinc/54/39/57/601543957.db2.gz CSILNPPQMUHZKR-QAPCUYQASA-N 0 1 395.377 3.129 20 0 GGADMN CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1OCC ZINC000662231209 601544627 /nfs/dbraw/zinc/54/46/27/601544627.db2.gz BSERBASGBQLCTC-NRFANRHFSA-N 0 1 398.459 3.107 20 0 GGADMN CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1OCC ZINC000662231209 601544628 /nfs/dbraw/zinc/54/46/28/601544628.db2.gz BSERBASGBQLCTC-NRFANRHFSA-N 0 1 398.459 3.107 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000662235803 601544664 /nfs/dbraw/zinc/54/46/64/601544664.db2.gz VFZAVGOYWPWADS-GOSISDBHSA-N 0 1 376.815 3.492 20 0 GGADMN Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)oc1C(=O)[O-] ZINC000832883553 601546273 /nfs/dbraw/zinc/54/62/73/601546273.db2.gz UXCICMDTVQKHKP-OAHLLOKOSA-N 0 1 382.416 3.427 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)oc1C(=O)[O-] ZINC000832883553 601546274 /nfs/dbraw/zinc/54/62/74/601546274.db2.gz UXCICMDTVQKHKP-OAHLLOKOSA-N 0 1 382.416 3.427 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000662232652 601546389 /nfs/dbraw/zinc/54/63/89/601546389.db2.gz JFPVLCMBJWDVBT-IBGZPJMESA-N 0 1 388.851 3.361 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130861 601546688 /nfs/dbraw/zinc/54/66/88/601546688.db2.gz ZYHFZNZJIAIPEJ-FXAWDEMLSA-N 0 1 378.428 3.453 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000662234633 601546927 /nfs/dbraw/zinc/54/69/27/601546927.db2.gz NRSXTVWAHDKNNK-KRWDZBQOSA-N 0 1 378.350 3.328 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000662234633 601546929 /nfs/dbraw/zinc/54/69/29/601546929.db2.gz NRSXTVWAHDKNNK-KRWDZBQOSA-N 0 1 378.350 3.328 20 0 GGADMN C[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCC(C)(C)CC1 ZINC000830670220 601552246 /nfs/dbraw/zinc/55/22/46/601552246.db2.gz ZOTQNKPHHGAAAA-LJQANCHMSA-N 0 1 385.508 3.180 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000833196414 601568798 /nfs/dbraw/zinc/56/87/98/601568798.db2.gz SYHZTCCTOWPIEH-UWCCDQBKSA-N 0 1 378.469 3.244 20 0 GGADMN O=C([O-])[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000158398813 601577451 /nfs/dbraw/zinc/57/74/51/601577451.db2.gz QBNGUMWLFNUWPK-MRXNPFEDSA-N 0 1 384.398 3.136 20 0 GGADMN O=C([O-])[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000158398813 601577454 /nfs/dbraw/zinc/57/74/54/601577454.db2.gz QBNGUMWLFNUWPK-MRXNPFEDSA-N 0 1 384.398 3.136 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000833125121 601583552 /nfs/dbraw/zinc/58/35/52/601583552.db2.gz IQRAITXDNDISPY-HKUYNNGSSA-N 0 1 386.879 3.494 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000833104710 601586252 /nfs/dbraw/zinc/58/62/52/601586252.db2.gz DGPCJIRNCZHVSQ-HXUWFJFHSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000833104710 601586253 /nfs/dbraw/zinc/58/62/53/601586253.db2.gz DGPCJIRNCZHVSQ-HXUWFJFHSA-N 0 1 382.460 3.047 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000832936912 601586780 /nfs/dbraw/zinc/58/67/80/601586780.db2.gz VXIDRJFHCFNIOQ-SFHVURJKSA-N 0 1 387.867 3.202 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@@H]1C ZINC000829753249 601586849 /nfs/dbraw/zinc/58/68/49/601586849.db2.gz NQLDGOUCMTWHLX-WCQYABFASA-N 0 1 385.411 3.323 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000832936911 601586885 /nfs/dbraw/zinc/58/68/85/601586885.db2.gz VXIDRJFHCFNIOQ-GOSISDBHSA-N 0 1 387.867 3.202 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@@H]1C ZINC000829760618 601586896 /nfs/dbraw/zinc/58/68/96/601586896.db2.gz UODVBCIAKQYLQI-WMLDXEAASA-N 0 1 379.526 3.341 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1C ZINC000831651312 601594062 /nfs/dbraw/zinc/59/40/62/601594062.db2.gz VVRYLWHEDLAUAB-FXECBMLZSA-N 0 1 376.497 3.213 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1C ZINC000831651313 601594077 /nfs/dbraw/zinc/59/40/77/601594077.db2.gz VVRYLWHEDLAUAB-WLWJZTKJSA-N 0 1 376.497 3.213 20 0 GGADMN Cc1cc(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)n1-c1nccs1 ZINC000832859860 601594218 /nfs/dbraw/zinc/59/42/18/601594218.db2.gz SZNPIAGNMBCFLU-XIRDDKMYSA-N 0 1 387.505 3.451 20 0 GGADMN Cc1cc(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)n1-c1nccs1 ZINC000832859858 601594261 /nfs/dbraw/zinc/59/42/61/601594261.db2.gz SZNPIAGNMBCFLU-PVAVHDDUSA-N 0 1 387.505 3.451 20 0 GGADMN CC(C)[N@H+](CCO)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000826951482 601597449 /nfs/dbraw/zinc/59/74/49/601597449.db2.gz KFMIHVQIUPUKEK-UHFFFAOYSA-N 0 1 396.896 3.408 20 0 GGADMN CC(C)[N@@H+](CCO)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000826951482 601597450 /nfs/dbraw/zinc/59/74/50/601597450.db2.gz KFMIHVQIUPUKEK-UHFFFAOYSA-N 0 1 396.896 3.408 20 0 GGADMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(CC)CC ZINC000829917156 601598066 /nfs/dbraw/zinc/59/80/66/601598066.db2.gz CORPKKMRSLDWQM-SJORKVTESA-N 0 1 387.480 3.449 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(CC)CC ZINC000829917156 601598068 /nfs/dbraw/zinc/59/80/68/601598068.db2.gz CORPKKMRSLDWQM-SJORKVTESA-N 0 1 387.480 3.449 20 0 GGADMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(CC)CC ZINC000829917151 601598140 /nfs/dbraw/zinc/59/81/40/601598140.db2.gz CORPKKMRSLDWQM-DLBZAZTESA-N 0 1 387.480 3.449 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(CC)CC ZINC000829917151 601598141 /nfs/dbraw/zinc/59/81/41/601598141.db2.gz CORPKKMRSLDWQM-DLBZAZTESA-N 0 1 387.480 3.449 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)[C@H](c3ccco3)C2)cc1 ZINC000832928707 601601934 /nfs/dbraw/zinc/60/19/34/601601934.db2.gz GTJDAJDJXQNETG-PXNSSMCTSA-N 0 1 397.475 3.355 20 0 GGADMN O=C([O-])C1(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000833173597 601604219 /nfs/dbraw/zinc/60/42/19/601604219.db2.gz FAORLVJELSIPKD-LJQANCHMSA-N 0 1 398.425 3.202 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)cs1 ZINC000831501056 601611125 /nfs/dbraw/zinc/61/11/25/601611125.db2.gz NEGRSHUZVLKWMO-UONOGXRCSA-N 0 1 393.509 3.411 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3)CC2)cs1 ZINC000831500771 601611229 /nfs/dbraw/zinc/61/12/29/601611229.db2.gz MJBKUNCLNNMNFR-QAPCUYQASA-N 0 1 389.521 3.184 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C(=O)[O-])oc3C)CC2)cs1 ZINC000831499403 601611329 /nfs/dbraw/zinc/61/13/29/601611329.db2.gz GEROXVMAUSNLRX-CQSZACIVSA-N 0 1 393.509 3.158 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000833107599 601611564 /nfs/dbraw/zinc/61/15/64/601611564.db2.gz SWEKIELHWUTWDI-LJQANCHMSA-N 0 1 394.427 3.152 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000833107599 601611566 /nfs/dbraw/zinc/61/15/66/601611566.db2.gz SWEKIELHWUTWDI-LJQANCHMSA-N 0 1 394.427 3.152 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1F ZINC000833313277 601620693 /nfs/dbraw/zinc/62/06/93/601620693.db2.gz RJDLABAODAECJK-ZDUSSCGKSA-N 0 1 391.830 3.423 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1F ZINC000831378710 601625339 /nfs/dbraw/zinc/62/53/39/601625339.db2.gz DUYPXDPWDFHPCN-AWEZNQCLSA-N 0 1 386.423 3.021 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1F ZINC000831378710 601625340 /nfs/dbraw/zinc/62/53/40/601625340.db2.gz DUYPXDPWDFHPCN-AWEZNQCLSA-N 0 1 386.423 3.021 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000833032750 601626826 /nfs/dbraw/zinc/62/68/26/601626826.db2.gz NFQGVBAUUOHHEO-OAHLLOKOSA-N 0 1 377.441 3.290 20 0 GGADMN O=C([O-])CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000666558660 601628039 /nfs/dbraw/zinc/62/80/39/601628039.db2.gz IXRXAIJXGDWFMJ-UHFFFAOYSA-N 0 1 387.524 3.472 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000833009310 601628669 /nfs/dbraw/zinc/62/86/69/601628669.db2.gz QHEXZRVEPWYLDR-OAHLLOKOSA-N 0 1 392.459 3.482 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000833032517 601631111 /nfs/dbraw/zinc/63/11/11/601631111.db2.gz IREDTMSYWCSXPE-UHFFFAOYSA-N 0 1 376.526 3.024 20 0 GGADMN CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000830328509 601631928 /nfs/dbraw/zinc/63/19/28/601631928.db2.gz QNIOORLKKFJJAA-UHFFFAOYSA-N 0 1 396.944 3.022 20 0 GGADMN CC(C)[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccccc1 ZINC000826936049 601634472 /nfs/dbraw/zinc/63/44/72/601634472.db2.gz YWSCAYQCIQGOJF-NRFANRHFSA-N 0 1 393.487 3.190 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC000831269667 601634770 /nfs/dbraw/zinc/63/47/70/601634770.db2.gz OHYMURZRNXRSBO-UHFFFAOYSA-N 0 1 384.432 3.021 20 0 GGADMN CCCCC[C@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000829333930 601641487 /nfs/dbraw/zinc/64/14/87/601641487.db2.gz WFHYIWIJNPMVSR-FCEWJHQRSA-N 0 1 376.497 3.059 20 0 GGADMN CCCCC[C@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000829333930 601641488 /nfs/dbraw/zinc/64/14/88/601641488.db2.gz WFHYIWIJNPMVSR-FCEWJHQRSA-N 0 1 376.497 3.059 20 0 GGADMN COc1cc(CN2CC[NH+](Cc3cc(C(=O)[O-])sc3C)CC2)cc(OC)c1 ZINC000831996067 601649798 /nfs/dbraw/zinc/64/97/98/601649798.db2.gz QCDTVAZFABIHDG-UHFFFAOYSA-N 0 1 390.505 3.090 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000833032399 601651118 /nfs/dbraw/zinc/65/11/18/601651118.db2.gz YSDUXEIFCQEKLD-MRXNPFEDSA-N 0 1 386.395 3.264 20 0 GGADMN Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861305 601674737 /nfs/dbraw/zinc/67/47/37/601674737.db2.gz ZIXLUVSQSBVVBC-UHFFFAOYSA-N 0 1 396.487 3.115 20 0 GGADMN Cc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832864338 601675424 /nfs/dbraw/zinc/67/54/24/601675424.db2.gz WZISZZXQIWVFOC-QGZVFWFLSA-N 0 1 376.497 3.151 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000830327890 601680115 /nfs/dbraw/zinc/68/01/15/601680115.db2.gz JUHMXLOBVBQIDH-KRWDZBQOSA-N 0 1 385.464 3.003 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC000829381567 601687682 /nfs/dbraw/zinc/68/76/82/601687682.db2.gz ZTUDVICNEXZHEQ-UHFFFAOYSA-N 0 1 390.524 3.351 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000832829072 601724337 /nfs/dbraw/zinc/72/43/37/601724337.db2.gz ZPIZIVDDYXMOSN-MRXNPFEDSA-N 0 1 382.464 3.192 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000832829072 601724340 /nfs/dbraw/zinc/72/43/40/601724340.db2.gz ZPIZIVDDYXMOSN-MRXNPFEDSA-N 0 1 382.464 3.192 20 0 GGADMN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000829753507 601727627 /nfs/dbraw/zinc/72/76/27/601727627.db2.gz PNSCBBGKXZETBS-CJNGLKHVSA-N 0 1 388.489 3.340 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827592910 601727674 /nfs/dbraw/zinc/72/76/74/601727674.db2.gz WKAQVQZRCQIJFJ-HXOBKFHXSA-N 0 1 398.478 3.240 20 0 GGADMN CCSc1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000830168696 601727777 /nfs/dbraw/zinc/72/77/77/601727777.db2.gz GDKHKXBIXDBLJN-NRFANRHFSA-N 0 1 399.516 3.043 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128990 601729919 /nfs/dbraw/zinc/72/99/19/601729919.db2.gz QMGPPIAFPMWWAE-AWRGLXIESA-N 0 1 392.499 3.101 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2CSc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128989 601729936 /nfs/dbraw/zinc/72/99/36/601729936.db2.gz QLQFIUVCCCWCDX-XMSQKQJNSA-N 0 1 396.512 3.112 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128993 601730603 /nfs/dbraw/zinc/73/06/03/601730603.db2.gz QMGPPIAFPMWWAE-ZFGGDYGUSA-N 0 1 392.499 3.101 20 0 GGADMN Cc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832930722 601730857 /nfs/dbraw/zinc/73/08/57/601730857.db2.gz LEOJMHJCICCNDF-QHCPKHFHSA-N 0 1 380.488 3.163 20 0 GGADMN O=C([O-])[C@]1(NC(=O)/C=C/c2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833094704 601730911 /nfs/dbraw/zinc/73/09/11/601730911.db2.gz JZDXYOQSJUHJNG-NEQMZLFVSA-N 0 1 382.435 3.075 20 0 GGADMN CSc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832774549 601731085 /nfs/dbraw/zinc/73/10/85/601731085.db2.gz OOWOHBSHERRVKP-OAQYLSRUSA-N 0 1 384.501 3.258 20 0 GGADMN 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O=C([O-])c1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000833106321 602346258 /nfs/dbraw/zinc/34/62/58/602346258.db2.gz QIYWASKVBOHGNQ-MSOLQXFVSA-N 0 1 386.448 3.285 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(C)c1C(=O)[O-] ZINC000832843285 602346266 /nfs/dbraw/zinc/34/62/66/602346266.db2.gz BTZJAXKBSLQNQC-JKSUJKDBSA-N 0 1 388.464 3.474 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(C)c1C(=O)[O-] ZINC000832843285 602346269 /nfs/dbraw/zinc/34/62/69/602346269.db2.gz BTZJAXKBSLQNQC-JKSUJKDBSA-N 0 1 388.464 3.474 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000833106031 602346346 /nfs/dbraw/zinc/34/63/46/602346346.db2.gz OUNXBAVKMGJJKE-QZTJIDSGSA-N 0 1 386.448 3.285 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(C)c1C(=O)[O-] ZINC000832843283 602346567 /nfs/dbraw/zinc/34/65/67/602346567.db2.gz BTZJAXKBSLQNQC-HOTGVXAUSA-N 0 1 388.464 3.474 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(C)c1C(=O)[O-] ZINC000832843283 602346571 /nfs/dbraw/zinc/34/65/71/602346571.db2.gz BTZJAXKBSLQNQC-HOTGVXAUSA-N 0 1 388.464 3.474 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC000828265752 602357670 /nfs/dbraw/zinc/35/76/70/602357670.db2.gz IHOWRYDFAGMFOA-HNNXBMFYSA-N 0 1 384.480 3.277 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2)C[C@H](C)O1 ZINC000828457698 602361097 /nfs/dbraw/zinc/36/10/97/602361097.db2.gz WNKBFGGHFSTUGQ-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2)C[C@H](C)O1 ZINC000828457698 602361099 /nfs/dbraw/zinc/36/10/99/602361099.db2.gz WNKBFGGHFSTUGQ-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN Cn1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1C(=O)[O-] ZINC000833047493 602363356 /nfs/dbraw/zinc/36/33/56/602363356.db2.gz NTJSZSVSVTWJNC-JOCHJYFZSA-N 0 1 396.491 3.243 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000828259313 602363682 /nfs/dbraw/zinc/36/36/82/602363682.db2.gz YAVFHRJOYRWHTL-HNNXBMFYSA-N 0 1 384.480 3.419 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000828259314 602363754 /nfs/dbraw/zinc/36/37/54/602363754.db2.gz YAVFHRJOYRWHTL-OAHLLOKOSA-N 0 1 384.480 3.419 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829688323 602369174 /nfs/dbraw/zinc/36/91/74/602369174.db2.gz ZLJVIXLCJGYNKD-QGZVFWFLSA-N 0 1 384.480 3.099 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000833009162 602380119 /nfs/dbraw/zinc/38/01/19/602380119.db2.gz LKFBMSXSHOJTMP-UHFFFAOYSA-N 0 1 386.358 3.479 20 0 GGADMN CC(C)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000827129836 602396130 /nfs/dbraw/zinc/39/61/30/602396130.db2.gz WDMMMQJCOLQILI-QFIPXVFZSA-N 0 1 381.476 3.054 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000736414017 602849778 /nfs/dbraw/zinc/84/97/78/602849778.db2.gz FTWZCMQAQLPHHO-UHOSZYNNSA-N 0 1 375.513 3.180 20 0 GGADMN CC(=O)N(c1nc(C[NH2+][C@H]2CCCN(C(=O)[O-])C2)cs1)c1ccc(C)cc1 ZINC000736130572 603244761 /nfs/dbraw/zinc/24/47/61/603244761.db2.gz NGIOKLVGWYGOCB-HNNXBMFYSA-N 0 1 388.493 3.368 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2)C1 ZINC000828290014 604297881 /nfs/dbraw/zinc/29/78/81/604297881.db2.gz PUSDBTYPEJQQTF-CQSZACIVSA-N 0 1 386.423 3.497 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000738168921 604319574 /nfs/dbraw/zinc/31/95/74/604319574.db2.gz OENIBNOTCAWLNU-STQMWFEESA-N 0 1 385.464 3.191 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000738165390 604321259 /nfs/dbraw/zinc/32/12/59/604321259.db2.gz AUMKWEHLVFBYKV-CXAGYDPISA-N 0 1 375.494 3.204 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000829692709 604328555 /nfs/dbraw/zinc/32/85/55/604328555.db2.gz NIXZIAUWCIZRGU-GOSISDBHSA-N 0 1 383.492 3.314 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(CSCCC(=O)[O-])c3)CC[C@@H]21 ZINC000830940761 604335852 /nfs/dbraw/zinc/33/58/52/604335852.db2.gz JIYPFQQWELGKAB-AEFFLSMTSA-N 0 1 391.537 3.343 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828457672 604339429 /nfs/dbraw/zinc/33/94/29/604339429.db2.gz VUMCXMSGZXMDKD-QVDMIQRCSA-N 0 1 384.451 3.410 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)Cc1ccc(F)c(F)c1 ZINC000579364597 604345905 /nfs/dbraw/zinc/34/59/05/604345905.db2.gz PELZSELHYYZBKZ-UHFFFAOYSA-N 0 1 390.308 3.388 20 0 GGADMN O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000833226606 604353111 /nfs/dbraw/zinc/35/31/11/604353111.db2.gz KDPNPKINXHINIW-OAQYLSRUSA-N 0 1 395.503 3.187 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)CC[C@H]21 ZINC000830939960 604353989 /nfs/dbraw/zinc/35/39/89/604353989.db2.gz AVRHYEDYTYIFKS-HNAYVOBHSA-N 0 1 397.475 3.251 20 0 GGADMN C/C(=C/C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000825741534 604371243 /nfs/dbraw/zinc/37/12/43/604371243.db2.gz OYGHFCMUCUZDNR-NDENLUEZSA-N 0 1 394.515 3.441 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826088824 604374831 /nfs/dbraw/zinc/37/48/31/604374831.db2.gz CDTJMHBDYNSNDQ-PMACEKPBSA-N 0 1 395.503 3.262 20 0 GGADMN COc1ccc(CN2CC[NH+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)cc1F ZINC000832315201 604381039 /nfs/dbraw/zinc/38/10/39/604381039.db2.gz VCIDWBXJNMRBGL-CQSZACIVSA-N 0 1 376.428 3.313 20 0 GGADMN C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000825994850 604391753 /nfs/dbraw/zinc/39/17/53/604391753.db2.gz KUBOPOWKANWGBH-OXJNMPFZSA-N 0 1 380.488 3.402 20 0 GGADMN C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000825994850 604391756 /nfs/dbraw/zinc/39/17/56/604391756.db2.gz KUBOPOWKANWGBH-OXJNMPFZSA-N 0 1 380.488 3.402 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833196242 604453629 /nfs/dbraw/zinc/45/36/29/604453629.db2.gz PIUJKJSDBVGIGH-CJMVGXJBSA-N 0 1 396.459 3.383 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833196242 604453631 /nfs/dbraw/zinc/45/36/31/604453631.db2.gz PIUJKJSDBVGIGH-CJMVGXJBSA-N 0 1 396.459 3.383 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826095645 604454809 /nfs/dbraw/zinc/45/48/09/604454809.db2.gz MLYJVIMJNMIFAV-VQTJNVASSA-N 0 1 395.503 3.412 20 0 GGADMN C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1(C(=O)[O-])CCCC1 ZINC000830669683 604456842 /nfs/dbraw/zinc/45/68/42/604456842.db2.gz MIXAWEJYWUXWLB-SFHVURJKSA-N 0 1 390.480 3.422 20 0 GGADMN C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1(C(=O)[O-])CCCC1 ZINC000830669683 604456843 /nfs/dbraw/zinc/45/68/43/604456843.db2.gz MIXAWEJYWUXWLB-SFHVURJKSA-N 0 1 390.480 3.422 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC000832394229 604457209 /nfs/dbraw/zinc/45/72/09/604457209.db2.gz OHTRFPPCQUWBEL-WQVCFCJDSA-N 0 1 380.872 3.395 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000833011001 604459684 /nfs/dbraw/zinc/45/96/84/604459684.db2.gz AEKDCCUVWRKQMC-UHFFFAOYSA-N 0 1 384.480 3.147 20 0 GGADMN C[C@@H](Cc1ccncc1)Nc1nc[nH+]c(N[C@@H](C)Cc2ccncc2)c1C(=O)[O-] ZINC000827597465 604459868 /nfs/dbraw/zinc/45/98/68/604459868.db2.gz SWUMTFVZHRAZHW-GJZGRUSLSA-N 0 1 392.463 3.051 20 0 GGADMN O=C([O-])c1c(NCC2CCSCC2)nc[nH+]c1NCC1CCSCC1 ZINC000833294041 604462443 /nfs/dbraw/zinc/46/24/43/604462443.db2.gz LLBZCHJKIBIFPT-UHFFFAOYSA-N 0 1 382.555 3.285 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414626779 604463997 /nfs/dbraw/zinc/46/39/97/604463997.db2.gz MEFJYKGAXZCXKF-WOJBJXKFSA-N 0 1 387.524 3.328 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000832040556 604468295 /nfs/dbraw/zinc/46/82/95/604468295.db2.gz GPIZOUCETLKIPS-NVALYEJGSA-N 0 1 376.497 3.167 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000833701580 604476439 /nfs/dbraw/zinc/47/64/39/604476439.db2.gz KXZHWVZQTVIBLS-QKLQHJQFSA-N 0 1 388.508 3.185 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000833701579 604476521 /nfs/dbraw/zinc/47/65/21/604476521.db2.gz KXZHWVZQTVIBLS-HLIPFELVSA-N 0 1 388.508 3.185 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000833701389 604479887 /nfs/dbraw/zinc/47/98/87/604479887.db2.gz JEXCYIZHNRNSNV-AQNXPRMDSA-N 0 1 383.444 3.187 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000833701389 604479890 /nfs/dbraw/zinc/47/98/90/604479890.db2.gz JEXCYIZHNRNSNV-AQNXPRMDSA-N 0 1 383.444 3.187 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000832048869 604480870 /nfs/dbraw/zinc/48/08/70/604480870.db2.gz BNAGYZBXQKPEPS-IOMROCGXSA-N 0 1 385.460 3.418 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040268 604481028 /nfs/dbraw/zinc/48/10/28/604481028.db2.gz BNKVTEIFRJFFML-GCJKJVERSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040268 604481031 /nfs/dbraw/zinc/48/10/31/604481031.db2.gz BNKVTEIFRJFFML-GCJKJVERSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000832040268 604481036 /nfs/dbraw/zinc/48/10/36/604481036.db2.gz BNKVTEIFRJFFML-GCJKJVERSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832040268 604481039 /nfs/dbraw/zinc/48/10/39/604481039.db2.gz BNKVTEIFRJFFML-GCJKJVERSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000832048867 604481297 /nfs/dbraw/zinc/48/12/97/604481297.db2.gz BNAGYZBXQKPEPS-DUXKGJEZSA-N 0 1 385.460 3.418 20 0 GGADMN CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833496684 604484360 /nfs/dbraw/zinc/48/43/60/604484360.db2.gz PXECXBHZPBVVTR-UHFFFAOYSA-N 0 1 393.534 3.283 20 0 GGADMN CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833496684 604484364 /nfs/dbraw/zinc/48/43/64/604484364.db2.gz PXECXBHZPBVVTR-UHFFFAOYSA-N 0 1 393.534 3.283 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828450106 604487097 /nfs/dbraw/zinc/48/70/97/604487097.db2.gz OJENSRVKZBSFIY-OXQOHEQNSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828450107 604487257 /nfs/dbraw/zinc/48/72/57/604487257.db2.gz OJENSRVKZBSFIY-UZLBHIALSA-N 0 1 382.460 3.247 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(C(=O)[O-])c1C ZINC000833034057 604488344 /nfs/dbraw/zinc/48/83/44/604488344.db2.gz NNDXZJUZVRVSOJ-NSHDSACASA-N 0 1 376.478 3.270 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000828024309 604489401 /nfs/dbraw/zinc/48/94/01/604489401.db2.gz MYGGKTUZOLKKMI-QFIPXVFZSA-N 0 1 382.460 3.391 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040534 604489954 /nfs/dbraw/zinc/48/99/54/604489954.db2.gz GEXNJHJXJSXRKB-KUHUBIRLSA-N 0 1 393.480 3.273 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1 ZINC000832040533 604490113 /nfs/dbraw/zinc/49/01/13/604490113.db2.gz GEXNJHJXJSXRKB-IFXJQAMLSA-N 0 1 393.480 3.273 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826966670 604492132 /nfs/dbraw/zinc/49/21/32/604492132.db2.gz UXZPCDBAPWNVFY-SJLPKXTDSA-N 0 1 375.513 3.258 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3CC(=O)[O-])cc2)C1 ZINC000828161866 604492134 /nfs/dbraw/zinc/49/21/34/604492134.db2.gz PWNMXYYNNNFBKD-QKLQHJQFSA-N 0 1 387.524 3.313 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826966669 604492305 /nfs/dbraw/zinc/49/23/05/604492305.db2.gz UXZPCDBAPWNVFY-FUHWJXTLSA-N 0 1 375.513 3.258 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829055271 604500310 /nfs/dbraw/zinc/50/03/10/604500310.db2.gz FGPWDYGAWLAKAE-VXGBXAGGSA-N 0 1 393.509 3.017 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829055271 604500316 /nfs/dbraw/zinc/50/03/16/604500316.db2.gz FGPWDYGAWLAKAE-VXGBXAGGSA-N 0 1 393.509 3.017 20 0 GGADMN CCC1(CC)[C@H]([N@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C[C@@H]1OC ZINC000829055256 604500608 /nfs/dbraw/zinc/50/06/08/604500608.db2.gz FGPWDYGAWLAKAE-NEPJUHHUSA-N 0 1 393.509 3.017 20 0 GGADMN CCC1(CC)[C@H]([N@@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C[C@@H]1OC ZINC000829055256 604500613 /nfs/dbraw/zinc/50/06/13/604500613.db2.gz FGPWDYGAWLAKAE-NEPJUHHUSA-N 0 1 393.509 3.017 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829055265 604500680 /nfs/dbraw/zinc/50/06/80/604500680.db2.gz FGPWDYGAWLAKAE-NWDGAFQWSA-N 0 1 393.509 3.017 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000829055265 604500682 /nfs/dbraw/zinc/50/06/82/604500682.db2.gz FGPWDYGAWLAKAE-NWDGAFQWSA-N 0 1 393.509 3.017 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC000832314858 604507804 /nfs/dbraw/zinc/50/78/04/604507804.db2.gz PUTNMZUKVWZBGT-UHFFFAOYSA-N 0 1 389.477 3.195 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826881240 604509616 /nfs/dbraw/zinc/50/96/16/604509616.db2.gz KSMHMPLJYHBEPQ-AEFFLSMTSA-N 0 1 375.513 3.116 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1)C(=O)[O-] ZINC000833538181 604515105 /nfs/dbraw/zinc/51/51/05/604515105.db2.gz RIYNPSVQXNVQQJ-HZPDHXFCSA-N 0 1 380.448 3.312 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000827016605 604515227 /nfs/dbraw/zinc/51/52/27/604515227.db2.gz QEKPGKWVTPVCOS-AWEZNQCLSA-N 0 1 377.268 3.132 20 0 GGADMN COc1ccc(C)cc1CN1CC[NH+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833730483 604524092 /nfs/dbraw/zinc/52/40/92/604524092.db2.gz CFKIDTKHCCTRAA-SFHVURJKSA-N 0 1 398.503 3.173 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833730483 604524095 /nfs/dbraw/zinc/52/40/95/604524095.db2.gz CFKIDTKHCCTRAA-SFHVURJKSA-N 0 1 398.503 3.173 20 0 GGADMN Cc1cc(N2CC[NH+](Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2)nc(C(C)C)n1 ZINC000833746173 604524760 /nfs/dbraw/zinc/52/47/60/604524760.db2.gz QZKVZTUHAFQVAQ-KRWDZBQOSA-N 0 1 398.507 3.083 20 0 GGADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000830713163 604525033 /nfs/dbraw/zinc/52/50/33/604525033.db2.gz DWEYBUKJTUSSBK-HKUYNNGSSA-N 0 1 387.524 3.212 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2c(C)nn(CCC(=O)[O-])c2C)cc1OC ZINC000833732913 604526941 /nfs/dbraw/zinc/52/69/41/604526941.db2.gz VUUHWHODNXANQM-GOSISDBHSA-N 0 1 387.480 3.329 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833439263 604530842 /nfs/dbraw/zinc/53/08/42/604530842.db2.gz MGHMTZUMKVPYCK-WBVHZDCISA-N 0 1 377.485 3.324 20 0 GGADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833011406 604535395 /nfs/dbraw/zinc/53/53/95/604535395.db2.gz VLMJVTUURZMQCH-ZWKOTPCHSA-N 0 1 384.480 3.218 20 0 GGADMN Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C(=O)[O-])CC2)c1 ZINC000832983060 604537099 /nfs/dbraw/zinc/53/70/99/604537099.db2.gz GBULCPOOBQQNLZ-IBGZPJMESA-N 0 1 396.491 3.074 20 0 GGADMN Cc1cc(C[N@@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)ccc1-n1cncn1 ZINC000833745337 604550118 /nfs/dbraw/zinc/55/01/18/604550118.db2.gz DGNMKGNZRZMVTJ-UHFFFAOYSA-N 0 1 387.443 3.314 20 0 GGADMN Cc1cc(C[N@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)ccc1-n1cncn1 ZINC000833745337 604550120 /nfs/dbraw/zinc/55/01/20/604550120.db2.gz DGNMKGNZRZMVTJ-UHFFFAOYSA-N 0 1 387.443 3.314 20 0 GGADMN C[C@H]1C[C@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833601527 604564331 /nfs/dbraw/zinc/56/43/31/604564331.db2.gz VWFBQKGAYLWSQD-LAUBAEHRSA-N 0 1 395.503 3.280 20 0 GGADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000833549615 604576081 /nfs/dbraw/zinc/57/60/81/604576081.db2.gz FQPXVBRRSMKLEQ-INIZCTEOSA-N 0 1 392.459 3.314 20 0 GGADMN COc1ccc(Br)c(CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826187055 607700972 /nfs/dbraw/zinc/70/09/72/607700972.db2.gz XSKTULKBXDHTQL-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)[O-] ZINC000833538629 604581838 /nfs/dbraw/zinc/58/18/38/604581838.db2.gz UFDUOEOPYRVHJN-OAHLLOKOSA-N 0 1 392.496 3.370 20 0 GGADMN O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000821545909 604586900 /nfs/dbraw/zinc/58/69/00/604586900.db2.gz LPRKNZNTYVCCDL-LJQANCHMSA-N 0 1 390.443 3.281 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833488224 604599137 /nfs/dbraw/zinc/59/91/37/604599137.db2.gz KSVVUQCTAVJNPT-HNNXBMFYSA-N 0 1 379.526 3.353 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833488227 604599162 /nfs/dbraw/zinc/59/91/62/604599162.db2.gz KSVVUQCTAVJNPT-OAHLLOKOSA-N 0 1 379.526 3.353 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833615575 604601145 /nfs/dbraw/zinc/60/11/45/604601145.db2.gz OFHKQSPSBSKEDC-MJGOQNOKSA-N 0 1 387.524 3.223 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833541535 604610696 /nfs/dbraw/zinc/61/06/96/604610696.db2.gz NKSHUQVPNMYNCS-RDJZCZTQSA-N 0 1 392.496 3.275 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000833736761 604614152 /nfs/dbraw/zinc/61/41/52/604614152.db2.gz XESXSJROOHJTST-LJQANCHMSA-N 0 1 389.477 3.133 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000833736761 604614155 /nfs/dbraw/zinc/61/41/55/604614155.db2.gz XESXSJROOHJTST-LJQANCHMSA-N 0 1 389.477 3.133 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833757436 604619257 /nfs/dbraw/zinc/61/92/57/604619257.db2.gz ZOKCQUIHKJRWPP-INIZCTEOSA-N 0 1 392.459 3.146 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000833536268 604619375 /nfs/dbraw/zinc/61/93/75/604619375.db2.gz AIJKYQPALPCRAT-SFHVURJKSA-N 0 1 397.519 3.072 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538930 604622550 /nfs/dbraw/zinc/62/25/50/604622550.db2.gz DVSCDMPKAXHKBA-DOTOQJQBSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540844 604622733 /nfs/dbraw/zinc/62/27/33/604622733.db2.gz LKAXNHNQBWSJJM-PKOBYXMFSA-N 0 1 396.487 3.181 20 0 GGADMN Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000666580704 604629712 /nfs/dbraw/zinc/62/97/12/604629712.db2.gz PBVXCRIHZHNAME-FQEVSTJZSA-N 0 1 377.444 3.133 20 0 GGADMN Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000666580704 604629714 /nfs/dbraw/zinc/62/97/14/604629714.db2.gz PBVXCRIHZHNAME-FQEVSTJZSA-N 0 1 377.444 3.133 20 0 GGADMN COc1cc(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c(SC)cc1OC ZINC000826179166 607704069 /nfs/dbraw/zinc/70/40/69/607704069.db2.gz BZEVXNDUGKZNCK-UHFFFAOYSA-N 0 1 397.504 3.385 20 0 GGADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC2CN(C(=O)[O-])C2)n1 ZINC000830624072 604637888 /nfs/dbraw/zinc/63/78/88/604637888.db2.gz RJJSSPNHCFISEM-UHFFFAOYSA-N 0 1 383.477 3.194 20 0 GGADMN C[C@H](Oc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538624 604639470 /nfs/dbraw/zinc/63/94/70/604639470.db2.gz UEKGFTBKMDQMSW-GHTZIAJQSA-N 0 1 382.504 3.492 20 0 GGADMN C[C@H](Oc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538624 604639472 /nfs/dbraw/zinc/63/94/72/604639472.db2.gz UEKGFTBKMDQMSW-GHTZIAJQSA-N 0 1 382.504 3.492 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833729487 604640351 /nfs/dbraw/zinc/64/03/51/604640351.db2.gz UGSVAFYSIIDVOU-UHFFFAOYSA-N 0 1 381.375 3.077 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000833536715 604655154 /nfs/dbraw/zinc/65/51/54/604655154.db2.gz DIMWJVXQHIDGLH-OXQOHEQNSA-N 0 1 382.460 3.166 20 0 GGADMN C[C@H](C1CC1)[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515188 604662130 /nfs/dbraw/zinc/66/21/30/604662130.db2.gz AYTGMZVKVMVQOP-VGSWGCGISA-N 0 1 392.499 3.325 20 0 GGADMN C[C@H](C1CC1)[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515187 604662828 /nfs/dbraw/zinc/66/28/28/604662828.db2.gz AYTGMZVKVMVQOP-VGOFRKELSA-N 0 1 392.499 3.325 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833543682 604665032 /nfs/dbraw/zinc/66/50/32/604665032.db2.gz URPQMFWOGSYMFN-GOEBONIOSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000235640644 604667850 /nfs/dbraw/zinc/66/78/50/604667850.db2.gz RGXVKSKIVSRLIA-WPRPVWTQSA-N 0 1 377.076 3.364 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000235640644 604667853 /nfs/dbraw/zinc/66/78/53/604667853.db2.gz RGXVKSKIVSRLIA-WPRPVWTQSA-N 0 1 377.076 3.364 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000300517132 604668093 /nfs/dbraw/zinc/66/80/93/604668093.db2.gz RGXVKSKIVSRLIA-WCBMZHEXSA-N 0 1 377.076 3.364 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000300517132 604668098 /nfs/dbraw/zinc/66/80/98/604668098.db2.gz RGXVKSKIVSRLIA-WCBMZHEXSA-N 0 1 377.076 3.364 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000248534840 604669598 /nfs/dbraw/zinc/66/95/98/604669598.db2.gz JQQBSHOUHFVKTI-HERUPUMHSA-N 0 1 381.354 3.372 20 0 GGADMN CCCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000833652441 604672417 /nfs/dbraw/zinc/67/24/17/604672417.db2.gz UMIDSLOFAPRDBO-WCQYABFASA-N 0 1 386.286 3.399 20 0 GGADMN C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694521 604676464 /nfs/dbraw/zinc/67/64/64/604676464.db2.gz WKKMGICILKKUDZ-QGZVFWFLSA-N 0 1 394.328 3.081 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccc(Br)cn12 ZINC000263496619 604679317 /nfs/dbraw/zinc/67/93/17/604679317.db2.gz JUQRETGMKRAFKY-UGFHNGPFSA-N 0 1 378.270 3.315 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544516 604683720 /nfs/dbraw/zinc/68/37/20/604683720.db2.gz ZDIIZFWWIPXYCY-WBVHZDCISA-N 0 1 392.496 3.370 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3cccc(C(=O)[O-])c3)cc2)C1 ZINC000833614917 604702811 /nfs/dbraw/zinc/70/28/11/604702811.db2.gz XMSDQAMKQXTCEB-KRWDZBQOSA-N 0 1 380.488 3.476 20 0 GGADMN C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833549910 604729937 /nfs/dbraw/zinc/72/99/37/604729937.db2.gz IJDOKEPGKXWWQH-VIFPVBQESA-N 0 1 386.235 3.016 20 0 GGADMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833635170 604734805 /nfs/dbraw/zinc/73/48/05/604734805.db2.gz OYTQPQIERGLJPE-CABCVRRESA-N 0 1 383.448 3.004 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CC1)C(=O)[O-] ZINC000827449177 604741403 /nfs/dbraw/zinc/74/14/03/604741403.db2.gz HZXOXEDJXFNLDG-LLVKDONJSA-N 0 1 377.441 3.073 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC1)C(=O)[O-] ZINC000827449902 604742722 /nfs/dbraw/zinc/74/27/22/604742722.db2.gz QHYKDQZPKSTWMA-SNVBAGLBSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CC1)C(=O)[O-] ZINC000827449178 604742880 /nfs/dbraw/zinc/74/28/80/604742880.db2.gz HZXOXEDJXFNLDG-NSHDSACASA-N 0 1 377.441 3.073 20 0 GGADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000830676385 604754014 /nfs/dbraw/zinc/75/40/14/604754014.db2.gz AVIYGNSXWDCFIV-HNNXBMFYSA-N 0 1 397.258 3.296 20 0 GGADMN C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000830676385 604754016 /nfs/dbraw/zinc/75/40/16/604754016.db2.gz AVIYGNSXWDCFIV-HNNXBMFYSA-N 0 1 397.258 3.296 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544492 604758982 /nfs/dbraw/zinc/75/89/82/604758982.db2.gz YQOCZWAVYXMZOZ-NVXWUHKLSA-N 0 1 377.481 3.482 20 0 GGADMN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cn1c(=O)scc1-c1ccccn1 ZINC000833226910 604765487 /nfs/dbraw/zinc/76/54/87/604765487.db2.gz RUXHEGHQYKOLDY-UHFFFAOYSA-N 0 1 383.473 3.296 20 0 GGADMN O=C([O-])CCC[N@H+](Cc1ccccc1)Cn1c(=O)scc1-c1ccccn1 ZINC000833226910 604765490 /nfs/dbraw/zinc/76/54/90/604765490.db2.gz RUXHEGHQYKOLDY-UHFFFAOYSA-N 0 1 383.473 3.296 20 0 GGADMN Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745506 604766384 /nfs/dbraw/zinc/76/63/84/604766384.db2.gz LVSVDFHKTXNBFR-LEWJYISDSA-N 0 1 399.487 3.091 20 0 GGADMN Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745506 604766386 /nfs/dbraw/zinc/76/63/86/604766386.db2.gz LVSVDFHKTXNBFR-LEWJYISDSA-N 0 1 399.487 3.091 20 0 GGADMN C[C@H](O)C[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000827796132 604766853 /nfs/dbraw/zinc/76/68/53/604766853.db2.gz MDNJRTDQBXWWOY-JTQLQIEISA-N 0 1 382.869 3.018 20 0 GGADMN C[C@H](O)C[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000827796132 604766857 /nfs/dbraw/zinc/76/68/57/604766857.db2.gz MDNJRTDQBXWWOY-JTQLQIEISA-N 0 1 382.869 3.018 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC000833537401 604773003 /nfs/dbraw/zinc/77/30/03/604773003.db2.gz JYKXOXFEBAKPPQ-YQQAZPJKSA-N 0 1 392.496 3.274 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833629264 604773627 /nfs/dbraw/zinc/77/36/27/604773627.db2.gz GURXIZOPVGLQER-DYESRHJHSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)cc1)C(=O)[O-] ZINC000833541894 604774983 /nfs/dbraw/zinc/77/49/83/604774983.db2.gz PEWLEFJYSLAHPC-QVKFZJNVSA-N 0 1 389.879 3.371 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)CCc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833595752 604777301 /nfs/dbraw/zinc/77/73/01/604777301.db2.gz HQTAWVYZUKXUIV-YLJYHZDGSA-N 0 1 380.488 3.487 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)c1ccccc1 ZINC000830581816 604781172 /nfs/dbraw/zinc/78/11/72/604781172.db2.gz RVAAKLIMKLYQAJ-FQEVSTJZSA-N 0 1 381.476 3.091 20 0 GGADMN O=C([O-])CCC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000833225997 604786722 /nfs/dbraw/zinc/78/67/22/604786722.db2.gz ZOYORAYPPJLGSK-UHFFFAOYSA-N 0 1 398.459 3.153 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833629450 604787247 /nfs/dbraw/zinc/78/72/47/604787247.db2.gz IOUGQNSEXWFUGV-YPGOJHLTSA-N 0 1 380.488 3.200 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833654241 604788292 /nfs/dbraw/zinc/78/82/92/604788292.db2.gz INCOBFKKXGCYTH-IBGZPJMESA-N 0 1 380.488 3.298 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000832971390 604801661 /nfs/dbraw/zinc/80/16/61/604801661.db2.gz YKQAFOUQBURHGE-UHFFFAOYSA-N 0 1 397.475 3.319 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547263 604809324 /nfs/dbraw/zinc/80/93/24/604809324.db2.gz AHGVESQXMQASKE-IIBYNOLFSA-N 0 1 393.487 3.288 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547262 604809415 /nfs/dbraw/zinc/80/94/15/604809415.db2.gz AHGVESQXMQASKE-IERDGZPVSA-N 0 1 393.487 3.288 20 0 GGADMN O=C([O-])c1ccc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1F ZINC000833310021 604809483 /nfs/dbraw/zinc/80/94/83/604809483.db2.gz RAIPSYAZBBSLJI-UHFFFAOYSA-N 0 1 393.418 3.030 20 0 GGADMN CC(C)c1ncc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000827158231 604829158 /nfs/dbraw/zinc/82/91/58/604829158.db2.gz CVHOWJMTAQCFHT-FQEVSTJZSA-N 0 1 387.505 3.116 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409891 604844872 /nfs/dbraw/zinc/84/48/72/604844872.db2.gz SHZBIZYCMANZQH-INIZCTEOSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409891 604844876 /nfs/dbraw/zinc/84/48/76/604844876.db2.gz SHZBIZYCMANZQH-INIZCTEOSA-N 0 1 393.487 3.370 20 0 GGADMN O=C([O-])CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000833240048 604848767 /nfs/dbraw/zinc/84/87/67/604848767.db2.gz YBRHGWGVKXXKKC-KXBFYZLASA-N 0 1 387.480 3.021 20 0 GGADMN O=C([O-])CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000833240044 604848881 /nfs/dbraw/zinc/84/88/81/604848881.db2.gz YBRHGWGVKXXKKC-DNVCBOLYSA-N 0 1 387.480 3.021 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000826885597 604851447 /nfs/dbraw/zinc/85/14/47/604851447.db2.gz CYOJEPRKACXZCV-AWEZNQCLSA-N 0 1 397.903 3.293 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000833417353 604857539 /nfs/dbraw/zinc/85/75/39/604857539.db2.gz QTNQDYKBRVNTQH-QFBILLFUSA-N 0 1 394.471 3.295 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000833438883 604866047 /nfs/dbraw/zinc/86/60/47/604866047.db2.gz GXUCLRBHCQEOTJ-KSZLIROESA-N 0 1 389.496 3.319 20 0 GGADMN CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833466244 604868059 /nfs/dbraw/zinc/86/80/59/604868059.db2.gz AWGBFKVJCKVJSD-HNNXBMFYSA-N 0 1 388.464 3.214 20 0 GGADMN CC(C)C(=O)c1ccc2c(c1)oc(=O)n2C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833466244 604868061 /nfs/dbraw/zinc/86/80/61/604868061.db2.gz AWGBFKVJCKVJSD-HNNXBMFYSA-N 0 1 388.464 3.214 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2)C[C@H](C)O1 ZINC000833629166 604869776 /nfs/dbraw/zinc/86/97/76/604869776.db2.gz FTWZRQPDCXULCC-IRXDYDNUSA-N 0 1 388.508 3.155 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C)cc1 ZINC000832264651 604886276 /nfs/dbraw/zinc/88/62/76/604886276.db2.gz FBJHZJGTORMLJJ-HNAYVOBHSA-N 0 1 387.407 3.382 20 0 GGADMN C[C@H]1CCc2c(sc3nc(C[NH+]4CCC5(C[C@H]5C(=O)[O-])CC4)nc(N)c32)C1 ZINC000833617242 604908897 /nfs/dbraw/zinc/90/88/97/604908897.db2.gz PKJLCMKRCXKCJF-AAEUAGOBSA-N 0 1 386.521 3.085 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCc1cn(CC(=O)[O-])nn1 ZINC000833746976 604910568 /nfs/dbraw/zinc/91/05/68/604910568.db2.gz WNGZIIGBLCPDLB-OAHLLOKOSA-N 0 1 399.520 3.339 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCc1cn(CC(=O)[O-])nn1 ZINC000833746975 604910577 /nfs/dbraw/zinc/91/05/77/604910577.db2.gz WNGZIIGBLCPDLB-HNNXBMFYSA-N 0 1 399.520 3.339 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833408718 604917715 /nfs/dbraw/zinc/91/77/15/604917715.db2.gz IDMJZPKECTXURL-APWZRJJASA-N 0 1 398.528 3.497 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833408718 604917718 /nfs/dbraw/zinc/91/77/18/604917718.db2.gz IDMJZPKECTXURL-APWZRJJASA-N 0 1 398.528 3.497 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829162231 604918340 /nfs/dbraw/zinc/91/83/40/604918340.db2.gz QJCISOXLHNDAMR-CABCVRRESA-N 0 1 395.887 3.284 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833550644 604919352 /nfs/dbraw/zinc/91/93/52/604919352.db2.gz XYSAGGOPZWLSDQ-CJNGLKHVSA-N 0 1 393.447 3.218 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833550642 604919372 /nfs/dbraw/zinc/91/93/72/604919372.db2.gz XYSAGGOPZWLSDQ-BBRMVZONSA-N 0 1 393.447 3.218 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000828266062 604922909 /nfs/dbraw/zinc/92/29/09/604922909.db2.gz OCARCNTXWIBDQN-STQMWFEESA-N 0 1 383.876 3.045 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000828257929 604925418 /nfs/dbraw/zinc/92/54/18/604925418.db2.gz MTMOARIOYUYMCM-CHWSQXEVSA-N 0 1 383.876 3.188 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828266518 604928117 /nfs/dbraw/zinc/92/81/17/604928117.db2.gz WFUFNGOOQCDMHJ-ZDUSSCGKSA-N 0 1 397.903 3.435 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833667903 604932010 /nfs/dbraw/zinc/93/20/10/604932010.db2.gz LIOMEBWYEFKWBN-MAUKXSAKSA-N 0 1 389.883 3.412 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833667903 604932014 /nfs/dbraw/zinc/93/20/14/604932014.db2.gz LIOMEBWYEFKWBN-MAUKXSAKSA-N 0 1 389.883 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000833420266 604940670 /nfs/dbraw/zinc/94/06/70/604940670.db2.gz PSPXPCHQBKZQJS-HNNXBMFYSA-N 0 1 387.505 3.232 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000830927879 604941086 /nfs/dbraw/zinc/94/10/86/604941086.db2.gz DGGZOKDOHKBFGB-XHDPSFHLSA-N 0 1 385.386 3.352 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC000833255381 604941253 /nfs/dbraw/zinc/94/12/53/604941253.db2.gz FNGGWSIHWHOTCX-CYBMUJFWSA-N 0 1 380.872 3.397 20 0 GGADMN CN(C(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000833684673 604941511 /nfs/dbraw/zinc/94/15/11/604941511.db2.gz NONWLWNXDCOGJE-CYBMUJFWSA-N 0 1 375.494 3.082 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000826012622 604941765 /nfs/dbraw/zinc/94/17/65/604941765.db2.gz HUNCISFHLIILLH-ZDUSSCGKSA-N 0 1 388.851 3.189 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000826012622 604941770 /nfs/dbraw/zinc/94/17/70/604941770.db2.gz HUNCISFHLIILLH-ZDUSSCGKSA-N 0 1 388.851 3.189 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000652500151 604944347 /nfs/dbraw/zinc/94/43/47/604944347.db2.gz BJGLFEZJJYIFCB-HBFSDRIKSA-N 0 1 375.509 3.264 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000652500152 604944766 /nfs/dbraw/zinc/94/47/66/604944766.db2.gz BJGLFEZJJYIFCB-QWFCFKBJSA-N 0 1 375.509 3.264 20 0 GGADMN C[C@H](OC[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000576286200 604951201 /nfs/dbraw/zinc/95/12/01/604951201.db2.gz OAYPELSJRBIBNS-ADLFWFRXSA-N 0 1 389.879 3.463 20 0 GGADMN 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O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000248562496 604963368 /nfs/dbraw/zinc/96/33/68/604963368.db2.gz OBNYROXPBYASKG-RCBQFDQVSA-N 0 1 375.400 3.005 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000833172423 604963469 /nfs/dbraw/zinc/96/34/69/604963469.db2.gz VGUINNCIZWYHRF-JSGCOSHPSA-N 0 1 377.699 3.277 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000833172423 604963472 /nfs/dbraw/zinc/96/34/72/604963472.db2.gz VGUINNCIZWYHRF-JSGCOSHPSA-N 0 1 377.699 3.277 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000833630276 604968162 /nfs/dbraw/zinc/96/81/62/604968162.db2.gz RFAOFGVBCLKOIU-CASVQKDBSA-N 0 1 388.508 3.059 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cs1)c1ccccc1F ZINC000833394112 604969515 /nfs/dbraw/zinc/96/95/15/604969515.db2.gz YYZPBSMUZPTKDW-AWEZNQCLSA-N 0 1 377.441 3.406 20 0 GGADMN 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/nfs/dbraw/zinc/45/69/70/605456970.db2.gz NXWCRZQTEVLKNS-VQIMIIECSA-N 0 1 393.487 3.321 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833498622 605457078 /nfs/dbraw/zinc/45/70/78/605457078.db2.gz GLOHHJQBUJQVGO-FNHZYXHNSA-N 0 1 395.450 3.137 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833498622 605457084 /nfs/dbraw/zinc/45/70/84/605457084.db2.gz GLOHHJQBUJQVGO-FNHZYXHNSA-N 0 1 395.450 3.137 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833498629 605457270 /nfs/dbraw/zinc/45/72/70/605457270.db2.gz GLOHHJQBUJQVGO-UCLAIMLFSA-N 0 1 395.450 3.137 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833498629 605457274 /nfs/dbraw/zinc/45/72/74/605457274.db2.gz GLOHHJQBUJQVGO-UCLAIMLFSA-N 0 1 395.450 3.137 20 0 GGADMN C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522989 605457408 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/nfs/dbraw/zinc/48/39/52/605483952.db2.gz RLXQULLBVKMDEW-OKZBNKHCSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000833480656 605483957 /nfs/dbraw/zinc/48/39/57/605483957.db2.gz RLXQULLBVKMDEW-OKZBNKHCSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000833480640 605484055 /nfs/dbraw/zinc/48/40/55/605484055.db2.gz RLXQULLBVKMDEW-BZSNNMDCSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000833480640 605484061 /nfs/dbraw/zinc/48/40/61/605484061.db2.gz RLXQULLBVKMDEW-BZSNNMDCSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647739165 605484144 /nfs/dbraw/zinc/48/41/44/605484144.db2.gz CRIQMAMUFJLFBX-WMZOPIPTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647739165 605484151 /nfs/dbraw/zinc/48/41/51/605484151.db2.gz CRIQMAMUFJLFBX-WMZOPIPTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000647739163 605484414 /nfs/dbraw/zinc/48/44/14/605484414.db2.gz CRIQMAMUFJLFBX-FUHWJXTLSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000647739163 605484417 /nfs/dbraw/zinc/48/44/17/605484417.db2.gz CRIQMAMUFJLFBX-FUHWJXTLSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500098 605485043 /nfs/dbraw/zinc/48/50/43/605485043.db2.gz OLAVGIDDNFQVHZ-YJBOKZPZSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500098 605485044 /nfs/dbraw/zinc/48/50/44/605485044.db2.gz OLAVGIDDNFQVHZ-YJBOKZPZSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833499280 605485052 /nfs/dbraw/zinc/48/50/52/605485052.db2.gz KPSACOIDWVOEBF-ZWKOTPCHSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833499280 605485054 /nfs/dbraw/zinc/48/50/54/605485054.db2.gz KPSACOIDWVOEBF-ZWKOTPCHSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500096 605485059 /nfs/dbraw/zinc/48/50/59/605485059.db2.gz OLAVGIDDNFQVHZ-QAPCUYQASA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500096 605485061 /nfs/dbraw/zinc/48/50/61/605485061.db2.gz OLAVGIDDNFQVHZ-QAPCUYQASA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833500470 605485228 /nfs/dbraw/zinc/48/52/28/605485228.db2.gz RLPSFXWYMVPEDQ-FUHWJXTLSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833500470 605485231 /nfs/dbraw/zinc/48/52/31/605485231.db2.gz RLPSFXWYMVPEDQ-FUHWJXTLSA-N 0 1 389.402 3.012 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000833542816 605491496 /nfs/dbraw/zinc/49/14/96/605491496.db2.gz STIYUADHHVLNRL-HLLBOEOZSA-N 0 1 392.496 3.274 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000833542817 605491618 /nfs/dbraw/zinc/49/16/18/605491618.db2.gz STIYUADHHVLNRL-VYDXJSESSA-N 0 1 392.496 3.274 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+](C)CCc3ccncc3)c2C(=O)[O-])C1 ZINC000833616920 605546259 /nfs/dbraw/zinc/54/62/59/605546259.db2.gz KICGAAMATDTINE-CYBMUJFWSA-N 0 1 387.505 3.079 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C)CCc3ccncc3)c2C(=O)[O-])C1 ZINC000833616920 605546263 /nfs/dbraw/zinc/54/62/63/605546263.db2.gz KICGAAMATDTINE-CYBMUJFWSA-N 0 1 387.505 3.079 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000833420511 605548885 /nfs/dbraw/zinc/54/88/85/605548885.db2.gz SUXUDMHMUKAEEG-SFHVURJKSA-N 0 1 388.508 3.011 20 0 GGADMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833471442 605554689 /nfs/dbraw/zinc/55/46/89/605554689.db2.gz LEAUEUDNOOFTCK-KRWDZBQOSA-N 0 1 379.526 3.198 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833470513 605556525 /nfs/dbraw/zinc/55/65/25/605556525.db2.gz AOSPCKOMEJGLFX-GOSISDBHSA-N 0 1 385.464 3.107 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@H](C(=O)[O-])C1 ZINC000833706467 605691399 /nfs/dbraw/zinc/69/13/99/605691399.db2.gz HGCRPFQDDUOIFC-QAPCUYQASA-N 0 1 377.481 3.091 20 0 GGADMN C[C@@H](C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CC1)C(=O)[O-] ZINC000833516813 605752036 /nfs/dbraw/zinc/75/20/36/605752036.db2.gz XYQYOOVTDUDFQS-NSHDSACASA-N 0 1 384.270 3.296 20 0 GGADMN CN(C)C(=O)CC1CC[NH+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833687629 605855257 /nfs/dbraw/zinc/85/52/57/605855257.db2.gz MRWYLYIXAYLICF-UHFFFAOYSA-N 0 1 387.505 3.199 20 0 GGADMN C[C@@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833522996 605860249 /nfs/dbraw/zinc/86/02/49/605860249.db2.gz VLELPQKGHPPWLC-NVXWUHKLSA-N 0 1 388.512 3.271 20 0 GGADMN CCCc1c(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)[nH]c(C)c1C(=O)[O-] ZINC000833653600 605862001 /nfs/dbraw/zinc/86/20/01/605862001.db2.gz ZIZOOANORYUMKF-UHFFFAOYSA-N 0 1 384.480 3.207 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000833520242 605863359 /nfs/dbraw/zinc/86/33/59/605863359.db2.gz BZOCCLMUQFJVLZ-NEPJUHHUSA-N 0 1 381.423 3.438 20 0 GGADMN C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833520243 605864003 /nfs/dbraw/zinc/86/40/03/605864003.db2.gz BZOCCLMUQFJVLZ-NWDGAFQWSA-N 0 1 381.423 3.438 20 0 GGADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619155 606044128 /nfs/dbraw/zinc/04/41/28/606044128.db2.gz LIWTVDRICUQWMD-CYBMUJFWSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619155 606044131 /nfs/dbraw/zinc/04/41/31/606044131.db2.gz LIWTVDRICUQWMD-CYBMUJFWSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619155 606044137 /nfs/dbraw/zinc/04/41/37/606044137.db2.gz LIWTVDRICUQWMD-CYBMUJFWSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619155 606044142 /nfs/dbraw/zinc/04/41/42/606044142.db2.gz LIWTVDRICUQWMD-CYBMUJFWSA-N 0 1 389.916 3.077 20 0 GGADMN COC[C@H](NCc1cc(-c2nn[nH]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000821684346 606219675 /nfs/dbraw/zinc/21/96/75/606219675.db2.gz YYTDKNVTWOFMTL-AWEZNQCLSA-N 0 1 383.399 3.424 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000823802614 606416213 /nfs/dbraw/zinc/41/62/13/606416213.db2.gz UQBRXVYHAPZRBU-UHFFFAOYSA-N 0 1 397.533 3.297 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000823802614 606416215 /nfs/dbraw/zinc/41/62/15/606416215.db2.gz UQBRXVYHAPZRBU-UHFFFAOYSA-N 0 1 397.533 3.297 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000823738595 606420890 /nfs/dbraw/zinc/42/08/90/606420890.db2.gz VVMBYLBJTZIASX-UHFFFAOYSA-N 0 1 383.506 3.169 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000823738595 606420892 /nfs/dbraw/zinc/42/08/92/606420892.db2.gz VVMBYLBJTZIASX-UHFFFAOYSA-N 0 1 383.506 3.169 20 0 GGADMN Clc1nsc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1-c1nnn[n-]1 ZINC000822590147 606440447 /nfs/dbraw/zinc/44/04/47/606440447.db2.gz JCHDHLBEWGRLGJ-VIFPVBQESA-N 0 1 381.918 3.287 20 0 GGADMN Clc1nsc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000822590147 606440449 /nfs/dbraw/zinc/44/04/49/606440449.db2.gz JCHDHLBEWGRLGJ-VIFPVBQESA-N 0 1 381.918 3.287 20 0 GGADMN C[C@H]1CN(Cc2ccccc2NCc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820760712 606448572 /nfs/dbraw/zinc/44/85/72/606448572.db2.gz SAPQCRYXKIZUPS-HOTGVXAUSA-N 0 1 378.480 3.088 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000822757858 606455237 /nfs/dbraw/zinc/45/52/37/606455237.db2.gz GKAKBNLKHPWXMF-LJQANCHMSA-N 0 1 381.455 3.230 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761575 606471011 /nfs/dbraw/zinc/47/10/11/606471011.db2.gz XYANYPQLTJZTOL-BBRMVZONSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761575 606471012 /nfs/dbraw/zinc/47/10/12/606471012.db2.gz XYANYPQLTJZTOL-BBRMVZONSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820761575 606471014 /nfs/dbraw/zinc/47/10/14/606471014.db2.gz XYANYPQLTJZTOL-BBRMVZONSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820761575 606471016 /nfs/dbraw/zinc/47/10/16/606471016.db2.gz XYANYPQLTJZTOL-BBRMVZONSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000819877558 606523707 /nfs/dbraw/zinc/52/37/07/606523707.db2.gz YGQGIGTWYZJUPA-AWEZNQCLSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820708949 606525609 /nfs/dbraw/zinc/52/56/09/606525609.db2.gz APTXSXFLGWPDRV-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820708949 606525611 /nfs/dbraw/zinc/52/56/11/606525611.db2.gz APTXSXFLGWPDRV-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820708949 606525614 /nfs/dbraw/zinc/52/56/14/606525614.db2.gz APTXSXFLGWPDRV-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820708949 606525616 /nfs/dbraw/zinc/52/56/16/606525616.db2.gz APTXSXFLGWPDRV-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN c1cn(CN2CCS[C@H]3CCCC[C@H]32)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823742616 606592998 /nfs/dbraw/zinc/59/29/98/606592998.db2.gz JDCGVJKJJQDJLA-MSOLQXFVSA-N 0 1 381.509 3.048 20 0 GGADMN Cc1cc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2C)n[nH]1 ZINC000822199658 606673880 /nfs/dbraw/zinc/67/38/80/606673880.db2.gz CKXKLTKTWBAEPH-UHFFFAOYSA-N 0 1 389.419 3.180 20 0 GGADMN Cc1ccc(CNCc2ccc(-c3nn[nH]n3)cc2)c(OCC(F)(F)F)c1 ZINC000822238442 606728320 /nfs/dbraw/zinc/72/83/20/606728320.db2.gz IBQPPXUGULGDNU-UHFFFAOYSA-N 0 1 377.370 3.406 20 0 GGADMN CC[C@H](C)Oc1cc(C)ccc1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000820876685 606771721 /nfs/dbraw/zinc/77/17/21/606771721.db2.gz RXUAJQQBOIGNHP-HNNXBMFYSA-N 0 1 391.479 3.290 20 0 GGADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@@H](C(F)(F)F)C2)c1-c1nn[nH]n1 ZINC000822486383 606850257 /nfs/dbraw/zinc/85/02/57/606850257.db2.gz IBIYXYVKDILUCC-CYBMUJFWSA-N 0 1 391.401 3.135 20 0 GGADMN O[C@H](CN1CCC(=Cc2ccccc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672394 606862486 /nfs/dbraw/zinc/86/24/86/606862486.db2.gz DOAAVHCJBNDNSM-HXUWFJFHSA-N 0 1 379.439 3.219 20 0 GGADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000823802560 606870208 /nfs/dbraw/zinc/87/02/08/606870208.db2.gz SJXKSWWIOSZYNR-QGZVFWFLSA-N 0 1 387.447 3.051 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)o1 ZINC000820676381 606882635 /nfs/dbraw/zinc/88/26/35/606882635.db2.gz MMNDNFKWNKAIKY-ZNOIYHFQSA-N 0 1 379.464 3.281 20 0 GGADMN CC(C)c1csc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000820198223 606902340 /nfs/dbraw/zinc/90/23/40/606902340.db2.gz SXOJCLXEPPJZEJ-WMZOPIPTSA-N 0 1 398.536 3.360 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820703481 606936259 /nfs/dbraw/zinc/93/62/59/606936259.db2.gz GBBSENWYMQGNSK-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820703481 606936260 /nfs/dbraw/zinc/93/62/60/606936260.db2.gz GBBSENWYMQGNSK-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820703481 606936261 /nfs/dbraw/zinc/93/62/61/606936261.db2.gz GBBSENWYMQGNSK-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820703481 606936262 /nfs/dbraw/zinc/93/62/62/606936262.db2.gz GBBSENWYMQGNSK-CQSZACIVSA-N 0 1 388.541 3.045 20 0 GGADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821394568 607034644 /nfs/dbraw/zinc/03/46/44/607034644.db2.gz LUXNLEQKUQUICJ-UHFFFAOYSA-N 0 1 393.856 3.028 20 0 GGADMN CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821000801 607199075 /nfs/dbraw/zinc/19/90/75/607199075.db2.gz JTOOZUDGYSTKQF-KGLIPLIRSA-N 0 1 389.891 3.001 20 0 GGADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000826402679 608000372 /nfs/dbraw/zinc/00/03/72/608000372.db2.gz ZQENLGNTPZICJI-YVMONPNESA-N 0 1 381.346 3.333 20 0 GGADMN CCc1cc(=O)oc2cc(Oc3snc(Cl)c3-c3nn[nH]n3)ccc12 ZINC000825694662 608170520 /nfs/dbraw/zinc/17/05/20/608170520.db2.gz YONIGFZAOBYXPX-UHFFFAOYSA-N 0 1 375.797 3.438 20 0 GGADMN CSCC(=O)Nc1ccc(Oc2snc(Cl)c2-c2nn[nH]n2)cc1 ZINC000826227878 608179300 /nfs/dbraw/zinc/17/93/00/608179300.db2.gz YWXIHQKFDDZILG-UHFFFAOYSA-N 0 1 382.858 3.070 20 0 GGADMN O=Cc1cc(Oc2snc(Cl)c2-c2nn[nH]n2)ccc1Br ZINC000826483963 608191936 /nfs/dbraw/zinc/19/19/36/608191936.db2.gz HMSVWPZEJXZNOO-UHFFFAOYSA-N 0 1 386.618 3.344 20 0 GGADMN Cc1ccnc(NC[C@@H]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)C2)c1 ZINC000826313645 608225420 /nfs/dbraw/zinc/22/54/20/608225420.db2.gz OIQPXHCNWXDQMZ-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN CC[N@H+](CCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)CC(C)C ZINC000825419352 608297627 /nfs/dbraw/zinc/29/76/27/608297627.db2.gz MLTWKWPQYSALJJ-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN CC[N@@H+](CCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)CC(C)C ZINC000825419352 608297629 /nfs/dbraw/zinc/29/76/29/608297629.db2.gz MLTWKWPQYSALJJ-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN CC[N@H+](CCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)CC(C)C ZINC000825419352 608297631 /nfs/dbraw/zinc/29/76/31/608297631.db2.gz MLTWKWPQYSALJJ-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN CC[N@@H+](CCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)CC(C)C ZINC000825419352 608297632 /nfs/dbraw/zinc/29/76/32/608297632.db2.gz MLTWKWPQYSALJJ-UHFFFAOYSA-N 0 1 391.951 3.500 20 0 GGADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2c2ccco2)c1-c1nn[nH]n1 ZINC000826331903 608312885 /nfs/dbraw/zinc/31/28/85/608312885.db2.gz CJRRHROPGJRZOS-INIZCTEOSA-N 0 1 375.436 3.291 20 0 GGADMN CS[C@@H]1CCCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826227748 608316307 /nfs/dbraw/zinc/31/63/07/608316307.db2.gz WZCLTVBZGLQCJZ-MRXNPFEDSA-N 0 1 383.525 3.078 20 0 GGADMN CS[C@@H]1CCCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826227748 608316308 /nfs/dbraw/zinc/31/63/08/608316308.db2.gz WZCLTVBZGLQCJZ-MRXNPFEDSA-N 0 1 383.525 3.078 20 0 GGADMN CS[C@@H]1CCCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826227748 608316311 /nfs/dbraw/zinc/31/63/11/608316311.db2.gz WZCLTVBZGLQCJZ-MRXNPFEDSA-N 0 1 383.525 3.078 20 0 GGADMN CS[C@@H]1CCCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826227748 608316312 /nfs/dbraw/zinc/31/63/12/608316312.db2.gz WZCLTVBZGLQCJZ-MRXNPFEDSA-N 0 1 383.525 3.078 20 0 GGADMN CCC[N@@H+](Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000825314018 608316539 /nfs/dbraw/zinc/31/65/39/608316539.db2.gz WDGSHYRVKDWKPC-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCC[N@H+](Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000825314018 608316540 /nfs/dbraw/zinc/31/65/40/608316540.db2.gz WDGSHYRVKDWKPC-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCC[N@@H+](Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000825314018 608316542 /nfs/dbraw/zinc/31/65/42/608316542.db2.gz WDGSHYRVKDWKPC-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN CCC[N@H+](Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C[C@@H]1CCCCO1 ZINC000825314018 608316544 /nfs/dbraw/zinc/31/65/44/608316544.db2.gz WDGSHYRVKDWKPC-SFHVURJKSA-N 0 1 395.511 3.142 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000826170182 608371174 /nfs/dbraw/zinc/37/11/74/608371174.db2.gz RAEHEGWSESNPNZ-UHFFFAOYSA-N 0 1 399.882 3.324 20 0 GGADMN Fc1cc(-c2nn[nH]n2)cc(F)c1N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826371522 608437497 /nfs/dbraw/zinc/43/74/97/608437497.db2.gz JBHRIWYBBUXJTC-OAHLLOKOSA-N 0 1 394.389 3.272 20 0 GGADMN C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824563355 608484223 /nfs/dbraw/zinc/48/42/23/608484223.db2.gz NEPYENOKAFFTMX-JTQLQIEISA-N 0 1 391.262 3.463 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564856 608491965 /nfs/dbraw/zinc/49/19/65/608491965.db2.gz WYCYOVPUZJFEED-NSHDSACASA-N 0 1 390.369 3.175 20 0 GGADMN CCSc1ccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000825675171 608495733 /nfs/dbraw/zinc/49/57/33/608495733.db2.gz YRRMXIBMWJWKMK-NSHDSACASA-N 0 1 388.522 3.330 20 0 GGADMN C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825946032 608500802 /nfs/dbraw/zinc/50/08/02/608500802.db2.gz FUENIMJJRMJVLZ-UHFFFAOYSA-N 0 1 394.298 3.202 20 0 GGADMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825946032 608500803 /nfs/dbraw/zinc/50/08/03/608500803.db2.gz FUENIMJJRMJVLZ-UHFFFAOYSA-N 0 1 394.298 3.202 20 0 GGADMN Clc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826352392 608510493 /nfs/dbraw/zinc/51/04/93/608510493.db2.gz ZAXARNYECKESOG-UHFFFAOYSA-N 0 1 388.928 3.290 20 0 GGADMN Clc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826352392 608510494 /nfs/dbraw/zinc/51/04/94/608510494.db2.gz ZAXARNYECKESOG-UHFFFAOYSA-N 0 1 388.928 3.290 20 0 GGADMN Cn1c(CN[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)nc2cc(F)ccc21 ZINC000826355394 608521695 /nfs/dbraw/zinc/52/16/95/608521695.db2.gz XQJQMZUCLNRNGC-INIZCTEOSA-N 0 1 377.427 3.060 20 0 GGADMN CN(Cc1c[nH]nc1-c1c(F)cccc1F)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825957857 608524368 /nfs/dbraw/zinc/52/43/68/608524368.db2.gz IHSUIMKNSKKADI-UHFFFAOYSA-N 0 1 381.390 3.167 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826236883 608531920 /nfs/dbraw/zinc/53/19/20/608531920.db2.gz FVBDPVIBKXONBL-UHFFFAOYSA-N 0 1 382.855 3.046 20 0 GGADMN CC(C)(NCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccc(F)c1 ZINC000824165819 608534770 /nfs/dbraw/zinc/53/47/70/608534770.db2.gz AVMRYPZXLFQEKL-UHFFFAOYSA-N 0 1 388.834 3.123 20 0 GGADMN C[C@H](NCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824585115 608553090 /nfs/dbraw/zinc/55/30/90/608553090.db2.gz NUBONAASSGAWQX-NSHDSACASA-N 0 1 388.834 3.339 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824507397 608561677 /nfs/dbraw/zinc/56/16/77/608561677.db2.gz XFHSBQIAOCUYOK-DOMZBBRYSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507314 608561919 /nfs/dbraw/zinc/56/19/19/608561919.db2.gz WJLBPYNAOKLIEM-OCCSQVGLSA-N 0 1 392.529 3.196 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824507314 608561920 /nfs/dbraw/zinc/56/19/20/608561920.db2.gz WJLBPYNAOKLIEM-OCCSQVGLSA-N 0 1 392.529 3.196 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)c1Cl ZINC000826303792 608582965 /nfs/dbraw/zinc/58/29/65/608582965.db2.gz FPYTZNSOIXGXPI-UHFFFAOYSA-N 0 1 384.248 3.283 20 0 GGADMN c1ccc2ncc(CN3CCC(Oc4cccc(-c5nn[nH]n5)c4)CC3)cc2c1 ZINC000826517763 608604100 /nfs/dbraw/zinc/60/41/00/608604100.db2.gz NYAPSYLXVXJAJA-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825923066 608608262 /nfs/dbraw/zinc/60/82/62/608608262.db2.gz AQFNLUUUEKUGIK-UHFFFAOYSA-N 0 1 379.493 3.383 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825923066 608608264 /nfs/dbraw/zinc/60/82/64/608608264.db2.gz AQFNLUUUEKUGIK-UHFFFAOYSA-N 0 1 379.493 3.383 20 0 GGADMN C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825923066 608608266 /nfs/dbraw/zinc/60/82/66/608608266.db2.gz AQFNLUUUEKUGIK-UHFFFAOYSA-N 0 1 379.493 3.383 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825923066 608608267 /nfs/dbraw/zinc/60/82/67/608608267.db2.gz AQFNLUUUEKUGIK-UHFFFAOYSA-N 0 1 379.493 3.383 20 0 GGADMN Fc1c(CN2CCC[C@H]2c2cccc3c2OCCO3)cccc1-c1nn[nH]n1 ZINC000826371102 608648884 /nfs/dbraw/zinc/64/88/84/608648884.db2.gz SMQNEUCAZVEBKX-INIZCTEOSA-N 0 1 381.411 3.114 20 0 GGADMN Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc(-c5nnn[n-]5)o4)C3)n2)cc1 ZINC000826373501 608665919 /nfs/dbraw/zinc/66/59/19/608665919.db2.gz OPEWYEIXORGFTJ-CYBMUJFWSA-N 0 1 395.398 3.028 20 0 GGADMN Fc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccc(-c5nn[n-]n5)o4)C3)n2)cc1 ZINC000826373501 608665925 /nfs/dbraw/zinc/66/59/25/608665925.db2.gz OPEWYEIXORGFTJ-CYBMUJFWSA-N 0 1 395.398 3.028 20 0 GGADMN Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc(-c5nn[n-]n5)o4)C3)n2)cc1 ZINC000826373501 608665928 /nfs/dbraw/zinc/66/59/28/608665928.db2.gz OPEWYEIXORGFTJ-CYBMUJFWSA-N 0 1 395.398 3.028 20 0 GGADMN COc1ccccc1[C@@H]1CCCCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826218577 608683502 /nfs/dbraw/zinc/68/35/02/608683502.db2.gz GSIHECXGLWODHY-SFHVURJKSA-N 0 1 389.463 3.250 20 0 GGADMN C[C@@H](C1CC1)N(CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1 ZINC000824377842 608697082 /nfs/dbraw/zinc/69/70/82/608697082.db2.gz PCUZVHFZTQYNRU-ZDUSSCGKSA-N 0 1 382.493 3.167 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824506669 608701271 /nfs/dbraw/zinc/70/12/71/608701271.db2.gz PNYSKJJFOLWGKA-QWHCGFSZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824506669 608701273 /nfs/dbraw/zinc/70/12/73/608701273.db2.gz PNYSKJJFOLWGKA-QWHCGFSZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506669 608701275 /nfs/dbraw/zinc/70/12/75/608701275.db2.gz PNYSKJJFOLWGKA-QWHCGFSZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506669 608701276 /nfs/dbraw/zinc/70/12/76/608701276.db2.gz PNYSKJJFOLWGKA-QWHCGFSZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H]1SCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)[C@H]1c1ccccc1 ZINC000825021036 608715228 /nfs/dbraw/zinc/71/52/28/608715228.db2.gz OHQCKBUBUHTNRO-IFXJQAMLSA-N 0 1 391.504 3.193 20 0 GGADMN Cc1ccc(N2CCC[C@H](N[C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289498 609146802 /nfs/dbraw/zinc/14/68/02/609146802.db2.gz CONVNRKLCZETON-LIRRHRJNSA-N 0 1 394.454 3.160 20 0 GGADMN Cc1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c(O[C@H]2CCOC2)c1 ZINC000826288589 609150206 /nfs/dbraw/zinc/15/02/06/609150206.db2.gz OFDCPRBSABLYRN-PBHICJAKSA-N 0 1 397.454 3.333 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)s1 ZINC000826163495 609251811 /nfs/dbraw/zinc/25/18/11/609251811.db2.gz XGARYFSFLYEZIH-CYBMUJFWSA-N 0 1 384.509 3.160 20 0 GGADMN CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429152 609269484 /nfs/dbraw/zinc/26/94/84/609269484.db2.gz XMAKDEODQYTTCD-CYBMUJFWSA-N 0 1 391.431 3.262 20 0 GGADMN 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C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000053237245 1406340078 /nfs/dbraw/zinc/34/00/78/1406340078.db2.gz RNWPQNQMBKUTMZ-IBGZPJMESA-N 0 1 377.532 3.308 20 0 GGADMN COCc1ccc(CNC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000053264466 1406346891 /nfs/dbraw/zinc/34/68/91/1406346891.db2.gz HAZWGMGJHYUEGN-UHFFFAOYSA-N 0 1 386.452 3.166 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)N(C)C)c1 ZINC000053271271 1406350614 /nfs/dbraw/zinc/35/06/14/1406350614.db2.gz XSCWKBJWORRFFD-KRWDZBQOSA-N 0 1 390.867 3.153 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CSCc2csc(C)n2)N(C)C)c1 ZINC000053272168 1406350927 /nfs/dbraw/zinc/35/09/27/1406350927.db2.gz QJHNIUXHMHRWJL-QGZVFWFLSA-N 0 1 379.551 3.112 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)N(C)C)c1 ZINC000053271274 1406351284 /nfs/dbraw/zinc/35/12/84/1406351284.db2.gz XSCWKBJWORRFFD-QGZVFWFLSA-N 0 1 390.867 3.153 20 0 GGADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)NCCc1c(F)cccc1F ZINC000053264670 1406347663 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CCOc1ccc(CCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000055249144 1406912543 /nfs/dbraw/zinc/91/25/43/1406912543.db2.gz BQHRUVGKKDMAOL-UHFFFAOYSA-N 0 1 381.520 3.404 20 0 GGADMN COC(=O)[C@H](C)Sc1ccccc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000055257546 1406914487 /nfs/dbraw/zinc/91/44/87/1406914487.db2.gz BFFCNDZHQPDARU-XJKSGUPXSA-N 0 1 392.546 3.434 20 0 GGADMN CCCS(=O)(=O)CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000055258983 1406915606 /nfs/dbraw/zinc/91/56/06/1406915606.db2.gz IJYZORIXNGCVRL-UHFFFAOYSA-N 0 1 375.425 3.132 20 0 GGADMN C[C@@H]1CN(CCCNC(=S)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000055354800 1406938708 /nfs/dbraw/zinc/93/87/08/1406938708.db2.gz WFQGMNWSEFWDIE-CHWSQXEVSA-N 0 1 386.359 3.235 20 0 GGADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CN[C@@H]2CCS(=O)(=O)C2)c1 ZINC000055372809 1406941595 /nfs/dbraw/zinc/94/15/95/1406941595.db2.gz UXHQNVNCYMPAIZ-LJQANCHMSA-N 0 1 399.491 3.264 20 0 GGADMN CCOc1cc2c(cc1CNCc1cccc(NS(C)(=O)=O)c1)O[C@@H](C)C2 ZINC000055373411 1406941632 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CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCCCCC2)ccc1C ZINC000007781737 1398743517 /nfs/dbraw/zinc/74/35/17/1398743517.db2.gz RZQAYDHDYSKAGE-KRWDZBQOSA-N 0 1 395.569 3.229 20 0 GGADMN CCCOc1ccc(NC(=O)NC(=O)CN2CCCCC2)cc1OCCC ZINC000007780727 1398743574 /nfs/dbraw/zinc/74/35/74/1398743574.db2.gz JIXDTOUWOOCHIZ-UHFFFAOYSA-N 0 1 377.485 3.398 20 0 GGADMN COc1ccc(CNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1OC ZINC000007788149 1398744221 /nfs/dbraw/zinc/74/42/21/1398744221.db2.gz GTZDBDSTZZRDDA-UHFFFAOYSA-N 0 1 382.504 3.275 20 0 GGADMN CCOc1ccc(OC[C@H](O)CN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000055471808 1406974889 /nfs/dbraw/zinc/97/48/89/1406974889.db2.gz HZFBHRVKHLPOGO-HXUWFJFHSA-N 0 1 383.488 3.420 20 0 GGADMN COCc1c2ccccc2oc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000007835494 1398755431 /nfs/dbraw/zinc/75/54/31/1398755431.db2.gz JSFUSIZQNIOLNS-ZDUSSCGKSA-N 0 1 384.413 3.377 20 0 GGADMN COCc1c2ccccc2oc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000007835494 1398755438 /nfs/dbraw/zinc/75/54/38/1398755438.db2.gz JSFUSIZQNIOLNS-ZDUSSCGKSA-N 0 1 384.413 3.377 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000007866619 1398761677 /nfs/dbraw/zinc/76/16/77/1398761677.db2.gz YXTFWYLCQGFQPH-GFCCVEGCSA-N 0 1 386.452 3.416 20 0 GGADMN CCOc1ccc(SCC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 ZINC000007931798 1398776151 /nfs/dbraw/zinc/77/61/51/1398776151.db2.gz JKEKACZZOMUFRX-HNNXBMFYSA-N 0 1 390.486 3.362 20 0 GGADMN CCOc1ccc(SCC(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000007931798 1398776157 /nfs/dbraw/zinc/77/61/57/1398776157.db2.gz JKEKACZZOMUFRX-HNNXBMFYSA-N 0 1 390.486 3.362 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCCC1 ZINC000007981996 1398786022 /nfs/dbraw/zinc/78/60/22/1398786022.db2.gz XCSIUFFQVWKDBQ-KRWDZBQOSA-N 0 1 393.553 3.064 20 0 GGADMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCCC1 ZINC000007981999 1398786525 /nfs/dbraw/zinc/78/65/25/1398786525.db2.gz XCSIUFFQVWKDBQ-QGZVFWFLSA-N 0 1 393.553 3.064 20 0 GGADMN CCOC(=O)C1=C(CN[C@H](c2ccccc2)C(C)C)NC(=O)N[C@H]1c1ccco1 ZINC000008003369 1398788734 /nfs/dbraw/zinc/78/87/34/1398788734.db2.gz JHMFRMAEHXYHNP-PMACEKPBSA-N 0 1 397.475 3.438 20 0 GGADMN Cc1ccccc1CCNC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004449 1398789492 /nfs/dbraw/zinc/78/94/92/1398789492.db2.gz LKTOESNVUHNJMM-UHFFFAOYSA-N 0 1 379.504 3.004 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc(-n3cccn3)cc2)N2CCCC2)cc1 ZINC000008231229 1398814814 /nfs/dbraw/zinc/81/48/14/1398814814.db2.gz NYCRJSMVNVPEKG-QFIPXVFZSA-N 0 1 390.487 3.448 20 0 GGADMN C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2ccccc2F)o1 ZINC000008305081 1398821769 /nfs/dbraw/zinc/82/17/69/1398821769.db2.gz RRJMHKCTSLJRBF-GFCCVEGCSA-N 0 1 386.354 3.453 20 0 GGADMN COc1ccc([C@@H](CNC(=O)CCc2c(C)n[nH]c2C)N2CCCCC2)cc1 ZINC000008341298 1398824580 /nfs/dbraw/zinc/82/45/80/1398824580.db2.gz ZUUABWHVCINHOM-OAQYLSRUSA-N 0 1 384.524 3.311 20 0 GGADMN COc1cccc([C@H]2CCCN2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000009905240 1398870278 /nfs/dbraw/zinc/87/02/78/1398870278.db2.gz YTURWLVFMVBKSY-HSZRJFAPSA-N 0 1 393.531 3.489 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)N(C)C)cc1 ZINC000010019714 1398873194 /nfs/dbraw/zinc/87/31/94/1398873194.db2.gz FGFLCZGAVDOUKK-QGZVFWFLSA-N 0 1 393.409 3.371 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000010019448 1398873256 /nfs/dbraw/zinc/87/32/56/1398873256.db2.gz FQWLPKHYUZFRCJ-INIZCTEOSA-N 0 1 379.382 3.063 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000010019507 1398873284 /nfs/dbraw/zinc/87/32/84/1398873284.db2.gz SIDNYNWPFBXQAZ-MRXNPFEDSA-N 0 1 379.382 3.063 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)N(C)C)cc1 ZINC000010019658 1398873302 /nfs/dbraw/zinc/87/33/02/1398873302.db2.gz GCDSHYZVGMCVGH-QGZVFWFLSA-N 0 1 393.409 3.371 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000010081834 1398874486 /nfs/dbraw/zinc/87/44/86/1398874486.db2.gz DGHBCFFMHKPGCZ-KRWDZBQOSA-N 0 1 377.847 3.145 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)N(C)C)c1 ZINC000010077647 1398874559 /nfs/dbraw/zinc/87/45/59/1398874559.db2.gz MLOWKSQXSGZECO-FQEVSTJZSA-N 0 1 383.492 3.176 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@@H]1c1ccccc1)CC2 ZINC000010088234 1398875004 /nfs/dbraw/zinc/87/50/04/1398875004.db2.gz CIWBAMQRGYSJCW-HXUWFJFHSA-N 0 1 380.488 3.426 20 0 GGADMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)NC(=O)NCc1ccccc1 ZINC000010140195 1398877293 /nfs/dbraw/zinc/87/72/93/1398877293.db2.gz CWFRIYPLDKGTCB-UHFFFAOYSA-N 0 1 390.487 3.373 20 0 GGADMN COC(=O)c1cccn2cc(CSc3nc(-c4ccccc4F)n[nH]3)nc12 ZINC000010393414 1398889860 /nfs/dbraw/zinc/88/98/60/1398889860.db2.gz HJOMETRMGBHRMI-UHFFFAOYSA-N 0 1 383.408 3.337 20 0 GGADMN Cc1oc(-c2cccs2)nc1COC(=O)c1ccccc1NS(C)(=O)=O ZINC000010393947 1398889935 /nfs/dbraw/zinc/88/99/35/1398889935.db2.gz XAAMQAWXRKJKFF-UHFFFAOYSA-N 0 1 392.458 3.440 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC/C=C/Cl)cc1 ZINC000010432616 1398892139 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COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1=O ZINC000010895906 1398930059 /nfs/dbraw/zinc/93/00/59/1398930059.db2.gz XLIXVORFARKOEX-CQSZACIVSA-N 0 1 378.432 3.180 20 0 GGADMN CCOC(=O)C1C(COC(=O)c2ccc(C)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000010975114 1398938154 /nfs/dbraw/zinc/93/81/54/1398938154.db2.gz WTQWRFJQYRGCLH-IBGZPJMESA-N 0 1 394.427 3.023 20 0 GGADMN Cc1ccc2c(CN3CCC(NC(=O)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000011097957 1398950739 /nfs/dbraw/zinc/95/07/39/1398950739.db2.gz FHSHPQAODCLJRE-UHFFFAOYSA-N 0 1 376.456 3.496 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000011100525 1398950898 /nfs/dbraw/zinc/95/08/98/1398950898.db2.gz XABBEKORJKENHE-JOCHJYFZSA-N 0 1 393.531 3.491 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2ncccn2)n1 ZINC000011165072 1398955910 /nfs/dbraw/zinc/95/59/10/1398955910.db2.gz FXVDLJQPLZJUFH-SECBINFHSA-N 0 1 390.856 3.043 20 0 GGADMN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)[C@@H]1CCCc2ccccc21 ZINC000011285475 1398967208 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COc1cccc(CN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000043491255 1403773338 /nfs/dbraw/zinc/77/33/38/1403773338.db2.gz WMMQRFBTQQUGOT-UHFFFAOYSA-N 0 1 382.508 3.419 20 0 GGADMN COc1ccc(CN(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000043491269 1403773437 /nfs/dbraw/zinc/77/34/37/1403773437.db2.gz GCTVKUXPEWMINS-UHFFFAOYSA-N 0 1 382.508 3.419 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000043493603 1403774307 /nfs/dbraw/zinc/77/43/07/1403774307.db2.gz MRIYPNYIPOKMQL-GOSISDBHSA-N 0 1 391.512 3.106 20 0 GGADMN Cc1ccc2nc(CSCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cn2c1 ZINC000043507575 1403777485 /nfs/dbraw/zinc/77/74/85/1403777485.db2.gz VKRHFFPOCBRLCP-IBGZPJMESA-N 0 1 394.544 3.267 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H](C)O1 ZINC000043548771 1403783420 /nfs/dbraw/zinc/78/34/20/1403783420.db2.gz QJUDFXSJKMABJV-HOTGVXAUSA-N 0 1 389.496 3.349 20 0 GGADMN CCCc1nnc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)s1 ZINC000043557332 1403785071 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COc1ccccc1NS(=O)(=O)c1cc(NC(=O)N2CCCC2)ccc1C ZINC000043656748 1403797694 /nfs/dbraw/zinc/79/76/94/1403797694.db2.gz QBLSWLAGLJRUSV-UHFFFAOYSA-N 0 1 389.477 3.432 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000043668233 1403799176 /nfs/dbraw/zinc/79/91/76/1403799176.db2.gz MVWIGAFFXPGUAP-MRXNPFEDSA-N 0 1 376.482 3.140 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000043668593 1403799215 /nfs/dbraw/zinc/79/92/15/1403799215.db2.gz CYJSQVYTIITFCY-UHFFFAOYSA-N 0 1 396.491 3.393 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000043669096 1403800125 /nfs/dbraw/zinc/80/01/25/1403800125.db2.gz IIJFYAUCHPNTKG-QGZVFWFLSA-N 0 1 386.452 3.205 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000043677777 1403801388 /nfs/dbraw/zinc/80/13/88/1403801388.db2.gz CZXSWUHMKZVLPM-INIZCTEOSA-N 0 1 380.492 3.005 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000043690759 1403803783 /nfs/dbraw/zinc/80/37/83/1403803783.db2.gz KCVDNUNAAJGTFJ-UHFFFAOYSA-N 0 1 394.475 3.066 20 0 GGADMN NC(=O)c1cccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000043715705 1403806311 /nfs/dbraw/zinc/80/63/11/1403806311.db2.gz MOHMKJSQZMNCGE-SFHVURJKSA-N 0 1 386.883 3.398 20 0 GGADMN NC(=O)c1cccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000043716375 1403807053 /nfs/dbraw/zinc/80/70/53/1403807053.db2.gz WWDJLRMRSBBXMX-UHFFFAOYSA-N 0 1 386.883 3.225 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000056553167 1407358958 /nfs/dbraw/zinc/35/89/58/1407358958.db2.gz QGYAYRGUMLSCKP-KRWDZBQOSA-N 0 1 382.508 3.205 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000043774339 1403814753 /nfs/dbraw/zinc/81/47/53/1403814753.db2.gz JZDBFTIFBKNHRS-UHFFFAOYSA-N 0 1 387.549 3.430 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(-c2ccccn2)n1 ZINC000043786391 1403816491 /nfs/dbraw/zinc/81/64/91/1403816491.db2.gz HDFREXUQVNQFFV-INIZCTEOSA-N 0 1 380.452 3.127 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000043799281 1403818886 /nfs/dbraw/zinc/81/88/86/1403818886.db2.gz MMPCWDNDBHLYTE-NRFANRHFSA-N 0 1 398.482 3.183 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000043799201 1403818929 /nfs/dbraw/zinc/81/89/29/1403818929.db2.gz YVQDTRGFLMHKDG-UHFFFAOYSA-N 0 1 393.535 3.360 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccccc1C(=O)N1CCCC1 ZINC000043797729 1403818940 /nfs/dbraw/zinc/81/89/40/1403818940.db2.gz FHVYPGZHLBZROF-LJQANCHMSA-N 0 1 396.491 3.474 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccsc1 ZINC000043797143 1403819143 /nfs/dbraw/zinc/81/91/43/1403819143.db2.gz IDNRLWUNZGEYOU-GOSISDBHSA-N 0 1 386.521 3.409 20 0 GGADMN Cc1cccc(N2CCN(C(=O)Nc3ccccc3N3CCN(C)CC3)CC2)c1 ZINC000043800320 1403819802 /nfs/dbraw/zinc/81/98/02/1403819802.db2.gz PPBYQZCSBRGRGZ-UHFFFAOYSA-N 0 1 393.535 3.101 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)NC[C@H]3CN(CC(C)C)CCO3)ccc2c1 ZINC000043820737 1403821659 /nfs/dbraw/zinc/82/16/59/1403821659.db2.gz NLPHJRFYRHBVJD-QFIPXVFZSA-N 0 1 399.535 3.347 20 0 GGADMN CCN(C(=O)NC[C@H]1CN(CC(C)C)CCO1)[C@@H](C)c1cccc(OC)c1 ZINC000043821272 1403821991 /nfs/dbraw/zinc/82/19/91/1403821991.db2.gz NLGCZICBENHZFS-PXNSSMCTSA-N 0 1 377.529 3.145 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc21 ZINC000043827098 1403823798 /nfs/dbraw/zinc/82/37/98/1403823798.db2.gz UYYLLCWCKCYMPX-IBGZPJMESA-N 0 1 382.464 3.147 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1cccc(F)c1 ZINC000056554122 1407359865 /nfs/dbraw/zinc/35/98/65/1407359865.db2.gz AHTPWLDCBYKYBW-PMACEKPBSA-N 0 1 389.471 3.412 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1F ZINC000056554135 1407359936 /nfs/dbraw/zinc/35/99/36/1407359936.db2.gz ZJPKAGYYPZKZHL-SFHVURJKSA-N 0 1 393.434 3.414 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000043847887 1403829931 /nfs/dbraw/zinc/82/99/31/1403829931.db2.gz PYIUNYVGGPQNPC-GOSISDBHSA-N 0 1 382.464 3.365 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1nnc(C)s1)N1CCCCC1 ZINC000056557236 1407360229 /nfs/dbraw/zinc/36/02/29/1407360229.db2.gz LQANMHHVVYMXBX-HNNXBMFYSA-N 0 1 375.498 3.204 20 0 GGADMN Cc1cc(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)no1 ZINC000043848545 1403830617 /nfs/dbraw/zinc/83/06/17/1403830617.db2.gz AVTCAJHJELMSHF-UHFFFAOYSA-N 0 1 390.392 3.280 20 0 GGADMN C[C@H](CNC(=O)Nc1ccccc1N1CCCC1=O)N1CCc2ccccc2C1 ZINC000043851793 1403831410 /nfs/dbraw/zinc/83/14/10/1403831410.db2.gz LBWVSDLXSMUYLZ-QGZVFWFLSA-N 0 1 392.503 3.382 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccccc1N1CCCC1=O ZINC000043853191 1403831941 /nfs/dbraw/zinc/83/19/41/1403831941.db2.gz JJCZUIRKHAMCBT-GOSISDBHSA-N 0 1 382.464 3.365 20 0 GGADMN Cc1ccc(SCCNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000043863228 1403834772 /nfs/dbraw/zinc/83/47/72/1403834772.db2.gz CLJXFWONYWBERB-UHFFFAOYSA-N 0 1 384.549 3.446 20 0 GGADMN C[C@@H]1Oc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2NC1=O ZINC000043872606 1403837704 /nfs/dbraw/zinc/83/77/04/1403837704.db2.gz ODXHPJUVUQWQLQ-INIZCTEOSA-N 0 1 394.475 3.146 20 0 GGADMN C[C@H]1Oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2NC1=O ZINC000043872800 1403837755 /nfs/dbraw/zinc/83/77/55/1403837755.db2.gz IZPDBWNKFODXIJ-RHSMWYFYSA-N 0 1 398.463 3.348 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000043874986 1403839060 /nfs/dbraw/zinc/83/90/60/1403839060.db2.gz GJJINNDMTNMDNJ-GOSISDBHSA-N 0 1 382.464 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc(F)c1 ZINC000043874919 1403839314 /nfs/dbraw/zinc/83/93/14/1403839314.db2.gz BVEUBXAQSWQFRH-IBGZPJMESA-N 0 1 384.455 3.142 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000043919161 1403845423 /nfs/dbraw/zinc/84/54/23/1403845423.db2.gz IBGQODHYVVJUTP-KBPBESRZSA-N 0 1 389.418 3.249 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H]2CCCOC2)CC1 ZINC000056560841 1407361808 /nfs/dbraw/zinc/36/18/08/1407361808.db2.gz STFGOQKSALIOIJ-OAHLLOKOSA-N 0 1 380.920 3.030 20 0 GGADMN CCS(=O)(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000043953084 1403852338 /nfs/dbraw/zinc/85/23/38/1403852338.db2.gz GADYJGJIFLLHSE-QGZVFWFLSA-N 0 1 391.493 3.032 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1 ZINC000044013206 1403859677 /nfs/dbraw/zinc/85/96/77/1403859677.db2.gz IDPLLSGSEGTPFF-KRWDZBQOSA-N 0 1 375.476 3.441 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccs1 ZINC000044014539 1403860250 /nfs/dbraw/zinc/86/02/50/1403860250.db2.gz VAJOCERUGMVYFY-KRWDZBQOSA-N 0 1 386.521 3.409 20 0 GGADMN CC(=O)Nc1ccc(F)c(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000044078130 1403871682 /nfs/dbraw/zinc/87/16/82/1403871682.db2.gz KUPIWQONOQUMRK-GOSISDBHSA-N 0 1 376.407 3.348 20 0 GGADMN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000044142130 1403883514 /nfs/dbraw/zinc/88/35/14/1403883514.db2.gz NKVCFUUNOJMNEH-UHFFFAOYSA-N 0 1 384.524 3.323 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000044141414 1403883526 /nfs/dbraw/zinc/88/35/26/1403883526.db2.gz SNJQBAWKNBFYRY-HXUWFJFHSA-N 0 1 398.482 3.486 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000044141443 1403883716 /nfs/dbraw/zinc/88/37/16/1403883716.db2.gz JVQYXBPAGBGYLG-LJQANCHMSA-N 0 1 396.491 3.474 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000044149047 1403886964 /nfs/dbraw/zinc/88/69/64/1403886964.db2.gz BZHCTEKYMOJPHA-GOSISDBHSA-N 0 1 388.537 3.240 20 0 GGADMN CCCC[C@H](CC)CNC(=S)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000044153718 1403889827 /nfs/dbraw/zinc/88/98/27/1403889827.db2.gz PZUJQBPEJFMKCE-KRWDZBQOSA-N 0 1 377.602 3.014 20 0 GGADMN CCc1cccc(CC)c1NC(=S)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000044153783 1403890089 /nfs/dbraw/zinc/89/00/89/1403890089.db2.gz HFNDCNVOXFQUSZ-UHFFFAOYSA-N 0 1 397.592 3.445 20 0 GGADMN CNC(=O)c1cccc(NC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1C ZINC000044176615 1403894336 /nfs/dbraw/zinc/89/43/36/1403894336.db2.gz XXLZVLFGFVUINW-UHFFFAOYSA-N 0 1 394.519 3.403 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000044181627 1403896375 /nfs/dbraw/zinc/89/63/75/1403896375.db2.gz MWBURBZHZXPLRU-UHFFFAOYSA-N 0 1 380.492 3.094 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)N1CCc2ccccc2C1 ZINC000044247449 1403907669 /nfs/dbraw/zinc/90/76/69/1403907669.db2.gz JTKBUIPXKGRMCF-SFHVURJKSA-N 0 1 389.503 3.500 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3cnc(-c4ccccc4)nc3)ccc2o1 ZINC000044256001 1403909356 /nfs/dbraw/zinc/90/93/56/1403909356.db2.gz MWMCMWOPVLNMSF-UHFFFAOYSA-N 0 1 379.397 3.051 20 0 GGADMN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1Cl ZINC000044254855 1403909546 /nfs/dbraw/zinc/90/95/46/1403909546.db2.gz DFJXVSXFPDTFNG-UHFFFAOYSA-N 0 1 399.799 3.276 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCOc2ccc3c(c2)CCC3)CC1 ZINC000056572634 1407364993 /nfs/dbraw/zinc/36/49/93/1407364993.db2.gz LHGOJQVGKCUOJM-UHFFFAOYSA-N 0 1 394.519 3.128 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000044298343 1403914858 /nfs/dbraw/zinc/91/48/58/1403914858.db2.gz SGJHAAORBMPGPT-QGZVFWFLSA-N 0 1 383.492 3.280 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000044300993 1403915685 /nfs/dbraw/zinc/91/56/85/1403915685.db2.gz VZBQXODFIMKUPH-LJQANCHMSA-N 0 1 375.444 3.275 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000044310281 1403918106 /nfs/dbraw/zinc/91/81/06/1403918106.db2.gz PGFLNGIABUOGQQ-INIZCTEOSA-N 0 1 389.418 3.106 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@H](C)O1 ZINC000044310081 1403918193 /nfs/dbraw/zinc/91/81/93/1403918193.db2.gz UKMOZXXOXHPKLZ-KBPBESRZSA-N 0 1 389.418 3.249 20 0 GGADMN COc1cccc(SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000044313400 1403919080 /nfs/dbraw/zinc/91/90/80/1403919080.db2.gz HPXGKDXPGJPWTP-UHFFFAOYSA-N 0 1 385.533 3.486 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000044331157 1403921140 /nfs/dbraw/zinc/92/11/40/1403921140.db2.gz YHGYQVCSRKFDJT-QFIPXVFZSA-N 0 1 395.503 3.424 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)NCCN1CCc2ccccc2C1 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391.830 3.488 20 0 GGADMN Cc1ccc(-n2ncc(C(=O)NCCN3CCCCC3)c2C(F)(F)F)cc1 ZINC000046853796 1404612922 /nfs/dbraw/zinc/61/29/22/1404612922.db2.gz QCMRWBFVJFBTOK-UHFFFAOYSA-N 0 1 380.414 3.415 20 0 GGADMN COc1cccc(NC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000046885758 1404622911 /nfs/dbraw/zinc/62/29/11/1404622911.db2.gz GZCDNWACUACCMA-UHFFFAOYSA-N 0 1 382.508 3.337 20 0 GGADMN CC(C)C(=O)Nc1ccc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000046891444 1404624326 /nfs/dbraw/zinc/62/43/26/1404624326.db2.gz ILYLGYYLBBFULC-GOSISDBHSA-N 0 1 388.537 3.445 20 0 GGADMN C[C@H](CNC(=O)NCc1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1 ZINC000046900670 1404628564 /nfs/dbraw/zinc/62/85/64/1404628564.db2.gz GIUKQDYNGZFPOW-GOSISDBHSA-N 0 1 389.503 3.118 20 0 GGADMN Cc1c(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cnn1-c1ccccn1 ZINC000046910307 1404631622 /nfs/dbraw/zinc/63/16/22/1404631622.db2.gz TUHFRGTWFUETDP-UHFFFAOYSA-N 0 1 389.503 3.232 20 0 GGADMN CCCOc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(C)c1 ZINC000056747178 1407417736 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COCCN(Cc1ccccc1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000047003734 1404669359 /nfs/dbraw/zinc/66/93/59/1404669359.db2.gz AKDHSPYOYCFYHC-LJQANCHMSA-N 0 1 381.520 3.291 20 0 GGADMN COCCN(Cc1ccccc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000047003732 1404669951 /nfs/dbraw/zinc/66/99/51/1404669951.db2.gz AKDHSPYOYCFYHC-IBGZPJMESA-N 0 1 381.520 3.291 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000047002748 1404670130 /nfs/dbraw/zinc/67/01/30/1404670130.db2.gz HVKWGJZCWPHXJT-FQEVSTJZSA-N 0 1 381.524 3.023 20 0 GGADMN COC(=O)c1cc(CNC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)oc1C ZINC000047017405 1404676433 /nfs/dbraw/zinc/67/64/33/1404676433.db2.gz NQKUXBCYKAMBIL-UHFFFAOYSA-N 0 1 399.491 3.101 20 0 GGADMN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000047048149 1404687449 /nfs/dbraw/zinc/68/74/49/1404687449.db2.gz UANDWYOOZCNWMD-UHFFFAOYSA-N 0 1 383.429 3.041 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCN(c2ccccc2F)CC1 ZINC000047057379 1404691304 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Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000047148191 1404723517 /nfs/dbraw/zinc/72/35/17/1404723517.db2.gz IPTBOOJYQMWAKL-MRXNPFEDSA-N 0 1 387.553 3.154 20 0 GGADMN COCCCCNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000047199972 1404745005 /nfs/dbraw/zinc/74/50/05/1404745005.db2.gz IJBSGJOXKFJCJL-UHFFFAOYSA-N 0 1 377.510 3.162 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000047260115 1404772705 /nfs/dbraw/zinc/77/27/05/1404772705.db2.gz KKGLOPMCENRVKW-FPOVZHCZSA-N 0 1 394.519 3.342 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000047260283 1404773105 /nfs/dbraw/zinc/77/31/05/1404773105.db2.gz OWRCJGHWDBLKGL-PXNSSMCTSA-N 0 1 394.519 3.172 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000047260114 1404773184 /nfs/dbraw/zinc/77/31/84/1404773184.db2.gz KKGLOPMCENRVKW-PZJWPPBQSA-N 0 1 394.519 3.342 20 0 GGADMN C[C@@H](C(=O)NC1CCCCC1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262597 1404775939 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O=C(CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1)CCC(=O)c1cccs1 ZINC000047425341 1404833447 /nfs/dbraw/zinc/83/34/47/1404833447.db2.gz KRISDMSEDNJNBR-SFHVURJKSA-N 0 1 398.528 3.451 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000047432696 1404834432 /nfs/dbraw/zinc/83/44/32/1404834432.db2.gz OAAUNIVNEMGFPQ-GASCZTMLSA-N 0 1 390.915 3.063 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000047433395 1404834677 /nfs/dbraw/zinc/83/46/77/1404834677.db2.gz BDNVRLLIUQOIFI-IYBDPMFKSA-N 0 1 375.538 3.235 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(COc3ccc(F)cc3)o2)C[C@@H](C)O1 ZINC000047433469 1404835173 /nfs/dbraw/zinc/83/51/73/1404835173.db2.gz AITSRCHQNZKISD-HZPDHXFCSA-N 0 1 390.455 3.227 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cccnc2Sc2ccccc2)C[C@H](C)O1 ZINC000047434531 1404835196 /nfs/dbraw/zinc/83/51/96/1404835196.db2.gz RMKRPKTZJAMULL-IRXDYDNUSA-N 0 1 385.533 3.462 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccccc2COc2ccccc2)C[C@@H](C)O1 ZINC000047434625 1404835207 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Cc1ccc(CN2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000047455830 1404843459 /nfs/dbraw/zinc/84/34/59/1404843459.db2.gz QKRYEHSFCZJIAZ-FQEVSTJZSA-N 0 1 377.488 3.155 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000047455829 1404843491 /nfs/dbraw/zinc/84/34/91/1404843491.db2.gz QKRYEHSFCZJIAZ-HXUWFJFHSA-N 0 1 377.488 3.155 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccncc1 ZINC000047459824 1404843947 /nfs/dbraw/zinc/84/39/47/1404843947.db2.gz QTLPMSDVFIGUCS-UHFFFAOYSA-N 0 1 392.425 3.043 20 0 GGADMN CC(C)(C)c1nc(CN2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cs1 ZINC000047476509 1404847804 /nfs/dbraw/zinc/84/78/04/1404847804.db2.gz HLVIYFZSRKRIRB-UHFFFAOYSA-N 0 1 383.521 3.275 20 0 GGADMN CNC(=O)c1cccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000047499125 1404852285 /nfs/dbraw/zinc/85/22/85/1404852285.db2.gz WYGVVHZJGLYPMM-UHFFFAOYSA-N 0 1 398.482 3.280 20 0 GGADMN O=C(NCCNc1ccccn1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000047501318 1404852953 /nfs/dbraw/zinc/85/29/53/1404852953.db2.gz IDXUHDFAEAZCFW-GOSISDBHSA-N 0 1 387.915 3.283 20 0 GGADMN O=C(NCCNc1ccccn1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000047501320 1404852982 /nfs/dbraw/zinc/85/29/82/1404852982.db2.gz IDXUHDFAEAZCFW-SFHVURJKSA-N 0 1 387.915 3.283 20 0 GGADMN CN1CC[N@@H+](CCCNC(=O)c2ccc([O-])c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000047511806 1404855358 /nfs/dbraw/zinc/85/53/58/1404855358.db2.gz OUYVAOPYGVHLQY-IBGZPJMESA-N 0 1 387.911 3.154 20 0 GGADMN CN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc2)CC1 ZINC000047523117 1404857727 /nfs/dbraw/zinc/85/77/27/1404857727.db2.gz KSBRDZMICBNAON-UHFFFAOYSA-N 0 1 388.899 3.283 20 0 GGADMN Cc1nn(C)c2ncc(NC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc12 ZINC000047525520 1404858204 /nfs/dbraw/zinc/85/82/04/1404858204.db2.gz WIQDMIMNXPRJPH-UHFFFAOYSA-N 0 1 396.470 3.202 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC000047538811 1404861784 /nfs/dbraw/zinc/86/17/84/1404861784.db2.gz XQVDQSUCRADDOH-HDICACEKSA-N 0 1 394.515 3.090 20 0 GGADMN COc1ccc(OC)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000047539320 1404861938 /nfs/dbraw/zinc/86/19/38/1404861938.db2.gz UOOVYRYTSBLEHS-IAGOWNOFSA-N 0 1 398.503 3.243 20 0 GGADMN COc1cc(CC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C ZINC000047538827 1404861953 /nfs/dbraw/zinc/86/19/53/1404861953.db2.gz CSNQKZHQUHYJSF-OALUTQOASA-N 0 1 396.531 3.472 20 0 GGADMN COCc1ccccc1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047538679 1404861966 /nfs/dbraw/zinc/86/19/66/1404861966.db2.gz FCWMJSAFMVOCAP-ROUUACIJSA-N 0 1 382.504 3.372 20 0 GGADMN COCc1cccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047539287 1404862100 /nfs/dbraw/zinc/86/21/00/1404862100.db2.gz DBVDNBSWQFLUHK-HDICACEKSA-N 0 1 382.504 3.372 20 0 GGADMN COCc1ccccc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047538682 1404862130 /nfs/dbraw/zinc/86/21/30/1404862130.db2.gz FCWMJSAFMVOCAP-QZTJIDSGSA-N 0 1 382.504 3.372 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)COc3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000047539422 1404862500 /nfs/dbraw/zinc/86/25/00/1404862500.db2.gz UIPFRZXHJNHAOY-IAGOWNOFSA-N 0 1 386.467 3.130 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)COc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000047539419 1404862540 /nfs/dbraw/zinc/86/25/40/1404862540.db2.gz UIPFRZXHJNHAOY-IRXDYDNUSA-N 0 1 386.467 3.130 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)COc3ccccc3F)cc2)C[C@H](C)O1 ZINC000047539539 1404862803 /nfs/dbraw/zinc/86/28/03/1404862803.db2.gz UPFYRIWBCRVHLA-IRXDYDNUSA-N 0 1 386.467 3.130 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2cnccc21 ZINC000047542804 1404863191 /nfs/dbraw/zinc/86/31/91/1404863191.db2.gz AOJQKHUARPOXNR-UHFFFAOYSA-N 0 1 381.501 3.178 20 0 GGADMN CCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000047553128 1404865824 /nfs/dbraw/zinc/86/58/24/1404865824.db2.gz OBCOXPULIHLKCF-UHFFFAOYSA-N 0 1 398.507 3.030 20 0 GGADMN CN1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)nc2)CC1 ZINC000047553189 1404865847 /nfs/dbraw/zinc/86/58/47/1404865847.db2.gz ALEGIPSOAXJFOG-UHFFFAOYSA-N 0 1 376.460 3.004 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)nc2)CC1 ZINC000047553499 1404866471 /nfs/dbraw/zinc/86/64/71/1404866471.db2.gz BWBHPSIYRLNFKA-UHFFFAOYSA-N 0 1 385.518 3.271 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3occc3COc3ccccc3)nc2)CC1 ZINC000047553549 1404866678 /nfs/dbraw/zinc/86/66/78/1404866678.db2.gz OJPWAIVRKMQCJN-UHFFFAOYSA-N 0 1 392.459 3.258 20 0 GGADMN CCCCC[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736440770 1426021852 /nfs/dbraw/zinc/02/18/52/1426021852.db2.gz GWFMJPQQVWVQMY-YJBOKZPZSA-N 0 1 380.500 3.016 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C[C@H](C)O1 ZINC000047588549 1404874506 /nfs/dbraw/zinc/87/45/06/1404874506.db2.gz XFXZRMSNELJDJA-IRXDYDNUSA-N 0 1 393.487 3.296 20 0 GGADMN COc1cc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)ccc1OCC(C)C ZINC000047609343 1404879107 /nfs/dbraw/zinc/87/91/07/1404879107.db2.gz QAIBONHSCMIOMT-HZPDHXFCSA-N 0 1 393.528 3.251 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 ZINC000047611543 1404879568 /nfs/dbraw/zinc/87/95/68/1404879568.db2.gz MEVLIIUVVJTOHJ-HOTGVXAUSA-N 0 1 397.475 3.346 20 0 GGADMN COc1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000047611600 1404879925 /nfs/dbraw/zinc/87/99/25/1404879925.db2.gz OHBLQAARUBTMJG-QZTJIDSGSA-N 0 1 397.519 3.304 20 0 GGADMN CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1C ZINC000047633060 1404882929 /nfs/dbraw/zinc/88/29/29/1404882929.db2.gz CLMBUWAGAWBMTO-VAZXNAHHSA-N 0 1 398.551 3.135 20 0 GGADMN CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000047669992 1404890051 /nfs/dbraw/zinc/89/00/51/1404890051.db2.gz OKJCGWIYBQWFDU-KQWOTGNYSA-N 0 1 386.540 3.037 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)n[nH]1 ZINC000047700909 1404895119 /nfs/dbraw/zinc/89/51/19/1404895119.db2.gz LNWRPGOJZFFAPH-HNNXBMFYSA-N 0 1 393.443 3.387 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047715831 1404900876 /nfs/dbraw/zinc/90/08/76/1404900876.db2.gz FKJMSIOMCNTTRS-IYBDPMFKSA-N 0 1 376.501 3.046 20 0 GGADMN CC(C)CNC(=O)c1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000047730573 1404907775 /nfs/dbraw/zinc/90/77/75/1404907775.db2.gz HTYMMDGGIUBELQ-UHFFFAOYSA-N 0 1 394.519 3.252 20 0 GGADMN COc1ccc(Br)cc1CNCc1ccc(NS(C)(=O)=O)cc1 ZINC000047750862 1404920747 /nfs/dbraw/zinc/92/07/47/1404920747.db2.gz NXBFXYMUPPGVDY-UHFFFAOYSA-N 0 1 399.310 3.119 20 0 GGADMN COCCOc1ccc(NC(=O)Nc2ccccc2N2CCN(C)CC2)c(C)c1 ZINC000047761076 1404928682 /nfs/dbraw/zinc/92/86/82/1404928682.db2.gz OZZKKDUICWEENI-UHFFFAOYSA-N 0 1 398.507 3.416 20 0 GGADMN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736327341 1426169154 /nfs/dbraw/zinc/16/91/54/1426169154.db2.gz CYAJZUIIDRQJHR-ZHRRBRCNSA-N 0 1 395.507 3.332 20 0 GGADMN c1ccc(C[C@H]2C[C@H]2[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826520295 1428212008 /nfs/dbraw/zinc/21/20/08/1428212008.db2.gz FJADBKXNOOKMRJ-RBBKRZOGSA-N 0 1 388.519 3.052 20 0 GGADMN CCCOc1cc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC ZINC000047770917 1404937077 /nfs/dbraw/zinc/93/70/77/1404937077.db2.gz CATLNSBHLPNBGF-UHFFFAOYSA-N 0 1 392.521 3.024 20 0 GGADMN CC(=O)NCC1CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000047772378 1404937347 /nfs/dbraw/zinc/93/73/47/1404937347.db2.gz AZJKYGDXSYYWSW-UHFFFAOYSA-N 0 1 377.573 3.329 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cn1 ZINC000047777731 1404938415 /nfs/dbraw/zinc/93/84/15/1404938415.db2.gz XSDCWYOUALEBBY-GOSISDBHSA-N 0 1 386.496 3.488 20 0 GGADMN CCNC(=O)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000047777639 1404939109 /nfs/dbraw/zinc/93/91/09/1404939109.db2.gz OAQYZDSISHUVSW-IBGZPJMESA-N 0 1 398.507 3.056 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000047777898 1404940190 /nfs/dbraw/zinc/94/01/90/1404940190.db2.gz PJDLFNCNJCDEGX-IBGZPJMESA-N 0 1 384.480 3.264 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@@H]1COc2ccccc2C1 ZINC000047778120 1404940300 /nfs/dbraw/zinc/94/03/00/1404940300.db2.gz WNTGHUJWGJIYSK-MJGOQNOKSA-N 0 1 383.492 3.357 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCOCc1ccccc1 ZINC000176271191 1428212108 /nfs/dbraw/zinc/21/21/08/1428212108.db2.gz PEBHHXYRPQKWSL-UHFFFAOYSA-N 0 1 382.508 3.085 20 0 GGADMN CN(C)C(=O)c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000047777883 1404940371 /nfs/dbraw/zinc/94/03/71/1404940371.db2.gz YUEJPHXVJXBZPK-LJQANCHMSA-N 0 1 398.507 3.008 20 0 GGADMN O=C(NCCCc1nc(=O)[nH][nH]1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000176271129 1428212128 /nfs/dbraw/zinc/21/21/28/1428212128.db2.gz KBAJTKNALGFSIC-UHFFFAOYSA-N 0 1 390.802 3.045 20 0 GGADMN CC(=O)Nc1cccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000047777983 1404940458 /nfs/dbraw/zinc/94/04/58/1404940458.db2.gz VVOAWKNJYYLZKG-LJQANCHMSA-N 0 1 384.480 3.264 20 0 GGADMN C[C@@H](CNC(=O)Nc1nnc(-c2ccco2)s1)N1CCc2ccccc2C1 ZINC000047785367 1404943656 /nfs/dbraw/zinc/94/36/56/1404943656.db2.gz HMQWQUSQNKVILO-ZDUSSCGKSA-N 0 1 383.477 3.366 20 0 GGADMN COc1cc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc(OC)c1OC ZINC000047794653 1404948245 /nfs/dbraw/zinc/94/82/45/1404948245.db2.gz LESOWGWMOYIZCB-SFHVURJKSA-N 0 1 384.476 3.166 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000047797501 1404950383 /nfs/dbraw/zinc/95/03/83/1404950383.db2.gz JYHQKCZSINIXGD-KRWDZBQOSA-N 0 1 375.415 3.299 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000047798012 1404950792 /nfs/dbraw/zinc/95/07/92/1404950792.db2.gz QBMOMSORPKSKFA-MRXNPFEDSA-N 0 1 393.405 3.439 20 0 GGADMN C[C@@H](OC(=O)c1cc(F)ccc1NS(C)(=O)=O)C(=O)c1ccc(Cl)cc1 ZINC000047829415 1404965513 /nfs/dbraw/zinc/96/55/13/1404965513.db2.gz SXWOEGMPFHFBFM-SNVBAGLBSA-N 0 1 399.827 3.279 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCCOc1ccccc1Cl ZINC000047831338 1404966490 /nfs/dbraw/zinc/96/64/90/1404966490.db2.gz RPKOIKCUKHKHEB-UHFFFAOYSA-N 0 1 387.816 3.086 20 0 GGADMN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1C ZINC000047831977 1404966548 /nfs/dbraw/zinc/96/65/48/1404966548.db2.gz MJVWAXSTUAMDMT-ZDUSSCGKSA-N 0 1 393.436 3.242 20 0 GGADMN CCCc1ccc(C(=O)COC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1 ZINC000047831941 1404966586 /nfs/dbraw/zinc/96/65/86/1404966586.db2.gz RQLFTMKYNDUSQM-UHFFFAOYSA-N 0 1 393.436 3.189 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000047833085 1404967705 /nfs/dbraw/zinc/96/77/05/1404967705.db2.gz VWNKTFVSRFVTQY-GOSISDBHSA-N 0 1 383.521 3.095 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1cccs1 ZINC000047833081 1404967720 /nfs/dbraw/zinc/96/77/20/1404967720.db2.gz VWNKTFVSRFVTQY-SFHVURJKSA-N 0 1 383.521 3.095 20 0 GGADMN CCOc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000047871530 1404978301 /nfs/dbraw/zinc/97/83/01/1404978301.db2.gz VVFBJMXFYUFIAU-KRWDZBQOSA-N 0 1 387.480 3.323 20 0 GGADMN COC(=O)C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(C)cc1 ZINC000047871784 1404979245 /nfs/dbraw/zinc/97/92/45/1404979245.db2.gz WIFQUICDNYSUDE-RTBURBONSA-N 0 1 399.491 3.329 20 0 GGADMN O=C(NCc1cccc(N2CCCC2=O)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047882781 1404982461 /nfs/dbraw/zinc/98/24/61/1404982461.db2.gz OVTGQOFNTKYELV-IBGZPJMESA-N 0 1 396.491 3.043 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000047882605 1404982617 /nfs/dbraw/zinc/98/26/17/1404982617.db2.gz UVAFJTWVDDGAGS-IBGZPJMESA-N 0 1 398.507 3.056 20 0 GGADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047893396 1404986744 /nfs/dbraw/zinc/98/67/44/1404986744.db2.gz FSNMWYIYUKCVJR-INIZCTEOSA-N 0 1 391.531 3.156 20 0 GGADMN CCCCCNC(=O)[C@H](C)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047893362 1404986846 /nfs/dbraw/zinc/98/68/46/1404986846.db2.gz XZVPJYRCFLHQNY-KRWDZBQOSA-N 0 1 391.531 3.157 20 0 GGADMN CCOC(=O)C1C(CSc2ccc(O)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000047895447 1404988071 /nfs/dbraw/zinc/98/80/71/1404988071.db2.gz NEUMSLPURSNEMR-SFHVURJKSA-N 0 1 384.457 3.356 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000047903560 1404990643 /nfs/dbraw/zinc/99/06/43/1404990643.db2.gz UTLXHGRJXZURLX-NRFANRHFSA-N 0 1 396.466 3.018 20 0 GGADMN COc1ccc(C(=O)N(C)CC2CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000047920582 1404996789 /nfs/dbraw/zinc/99/67/89/1404996789.db2.gz OKPGFYUFLBCEBT-UHFFFAOYSA-N 0 1 388.489 3.286 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)Cn1ccnc1)c1ccccc1Cl ZINC000047927289 1405000075 /nfs/dbraw/zinc/00/00/75/1405000075.db2.gz SGNKOSOTMZLKDX-CRAIPNDOSA-N 0 1 377.920 3.307 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cccc(Cn2ccnc2)c1)c1cccc(F)c1 ZINC000047935845 1405002705 /nfs/dbraw/zinc/00/27/05/1405002705.db2.gz KLNJYWZKGDDSRZ-NRFANRHFSA-N 0 1 395.482 3.173 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCCOC2CCCCC2)N(C)C)c1 ZINC000047936707 1405003000 /nfs/dbraw/zinc/00/30/00/1405003000.db2.gz DAZRAIITMHTPPY-FQEVSTJZSA-N 0 1 377.529 3.337 20 0 GGADMN CCOCc1ccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000047936704 1405003200 /nfs/dbraw/zinc/00/32/00/1405003200.db2.gz OMHXVSLFBLETGU-NRFANRHFSA-N 0 1 385.508 3.334 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000047936059 1405003211 /nfs/dbraw/zinc/00/32/11/1405003211.db2.gz IIVMUIULKXCRSA-OAQYLSRUSA-N 0 1 395.482 3.156 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCc2cccc3cccnc32)N(C)C)c1 ZINC000047936881 1405003537 /nfs/dbraw/zinc/00/35/37/1405003537.db2.gz HLNIWYRMDYERMZ-NRFANRHFSA-N 0 1 392.503 3.388 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCCOc2ccccc2F)N(C)C)c1 ZINC000047936716 1405004155 /nfs/dbraw/zinc/00/41/55/1405004155.db2.gz PIWPZDRSWDUDCU-LJQANCHMSA-N 0 1 389.471 3.205 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2cc(Cl)ccc2OC)N(C)C)c1 ZINC000047937273 1405004313 /nfs/dbraw/zinc/00/43/13/1405004313.db2.gz AXQMNDJGXKSJHL-SFHVURJKSA-N 0 1 391.899 3.459 20 0 GGADMN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000047958206 1405009444 /nfs/dbraw/zinc/00/94/44/1405009444.db2.gz DGHOYWZTDQMIIG-HXUWFJFHSA-N 0 1 380.488 3.060 20 0 GGADMN Cc1ccc([C@@H](C)N(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000047960133 1405010277 /nfs/dbraw/zinc/01/02/77/1405010277.db2.gz ROCWZSGBELLHTG-HXUWFJFHSA-N 0 1 395.547 3.136 20 0 GGADMN 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1405300588 /nfs/dbraw/zinc/30/05/88/1405300588.db2.gz BMWOWIHBUKNYMP-LJQANCHMSA-N 0 1 395.503 3.204 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cc(C)ccc1F)N1CCCC1 ZINC000048827804 1405300690 /nfs/dbraw/zinc/30/06/90/1405300690.db2.gz KWJCYHWZEPZVHW-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NOCc3ccccc3)cc2)C[C@@H](C)O1 ZINC000048827730 1405300876 /nfs/dbraw/zinc/30/08/76/1405300876.db2.gz GLRNCQOFUMVUND-QZTJIDSGSA-N 0 1 383.492 3.227 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1C)N1CCCC1 ZINC000048827711 1405300902 /nfs/dbraw/zinc/30/09/02/1405300902.db2.gz XAJVLGJLNVSYAD-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1F)N1CCCC1 ZINC000048827909 1405301460 /nfs/dbraw/zinc/30/14/60/1405301460.db2.gz GELKLOHTNIILTD-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN C#Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000048827934 1405301774 /nfs/dbraw/zinc/30/17/74/1405301774.db2.gz ZXYKHLHSYBJRFD-LJQANCHMSA-N 0 1 395.528 3.257 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1cccc(F)c1 ZINC000048843382 1405304456 /nfs/dbraw/zinc/30/44/56/1405304456.db2.gz NTYYJDMBMBUILM-IBGZPJMESA-N 0 1 385.483 3.481 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)N(C)C)c1 ZINC000048845271 1405304522 /nfs/dbraw/zinc/30/45/22/1405304522.db2.gz GFFQQAVUAISEEM-FQEVSTJZSA-N 0 1 397.519 3.350 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)N(C)C)c1 ZINC000048845197 1405305111 /nfs/dbraw/zinc/30/51/11/1405305111.db2.gz YBLKFQNHXJBBFJ-FQEVSTJZSA-N 0 1 383.492 3.176 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2SC)N(C)C)cc1 ZINC000048846354 1405305672 /nfs/dbraw/zinc/30/56/72/1405305672.db2.gz BBZPKISNVXAHCV-SFHVURJKSA-N 0 1 385.533 3.329 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc3cnccc32)N(C)C)cc1 ZINC000048846221 1405305782 /nfs/dbraw/zinc/30/57/82/1405305782.db2.gz HWXPUZNDMFTTGI-NRFANRHFSA-N 0 1 390.487 3.155 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc3cnccc32)N(C)C)cc1 ZINC000048846219 1405305842 /nfs/dbraw/zinc/30/58/42/1405305842.db2.gz HWXPUZNDMFTTGI-OAQYLSRUSA-N 0 1 390.487 3.155 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1 ZINC000048846060 1405305884 /nfs/dbraw/zinc/30/58/84/1405305884.db2.gz CASXMSNUWOJSTJ-FQEVSTJZSA-N 0 1 383.492 3.005 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(SC)cc2)N(C)C)cc1 ZINC000048846863 1405305930 /nfs/dbraw/zinc/30/59/30/1405305930.db2.gz WRHAWGQDCUYQSE-LJQANCHMSA-N 0 1 385.533 3.329 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000048852080 1405307663 /nfs/dbraw/zinc/30/76/63/1405307663.db2.gz UMTKITSCXUDVKL-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048852104 1405307795 /nfs/dbraw/zinc/30/77/95/1405307795.db2.gz UKYIOVQJGYMYOP-SFHVURJKSA-N 0 1 383.517 3.300 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000048851583 1405307978 /nfs/dbraw/zinc/30/79/78/1405307978.db2.gz MRBLRLWXMUNJQR-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000048853893 1405308534 /nfs/dbraw/zinc/30/85/34/1405308534.db2.gz CUIYPCWRJAVFQN-INIZCTEOSA-N 0 1 375.469 3.087 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1cccc2cccnc21 ZINC000048853264 1405308561 /nfs/dbraw/zinc/30/85/61/1405308561.db2.gz TUORUTYSMUNCEV-FQEVSTJZSA-N 0 1 388.471 3.127 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000048853848 1405308710 /nfs/dbraw/zinc/30/87/10/1405308710.db2.gz WFFDCUCMSRUPSV-INIZCTEOSA-N 0 1 375.469 3.087 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000048853255 1405308939 /nfs/dbraw/zinc/30/89/39/1405308939.db2.gz FWIZPEPTWGOXSY-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000048853142 1405309041 /nfs/dbraw/zinc/30/90/41/1405309041.db2.gz YVECFHNJFXMVGK-NRFANRHFSA-N 0 1 395.503 3.367 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000048853955 1405309077 /nfs/dbraw/zinc/30/90/77/1405309077.db2.gz FMPWYHFGTPUZGV-OAHLLOKOSA-N 0 1 395.887 3.432 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1F ZINC000048853818 1405309188 /nfs/dbraw/zinc/30/91/88/1405309188.db2.gz XRBVFWKKRHFROR-MRXNPFEDSA-N 0 1 375.469 3.087 20 0 GGADMN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000048853095 1405309523 /nfs/dbraw/zinc/30/95/23/1405309523.db2.gz KXKXESRPUPJUOQ-INIZCTEOSA-N 0 1 389.546 3.362 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000048854336 1405309690 /nfs/dbraw/zinc/30/96/90/1405309690.db2.gz ATNKRUOSQMWKJF-INIZCTEOSA-N 0 1 389.546 3.362 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000048854257 1405310336 /nfs/dbraw/zinc/31/03/36/1405310336.db2.gz QEBCYPSTKIUXJT-OAHLLOKOSA-N 0 1 395.887 3.432 20 0 GGADMN C[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)s1 ZINC000048870847 1405311622 /nfs/dbraw/zinc/31/16/22/1405311622.db2.gz VGWYDYKXKKZKHU-CYBMUJFWSA-N 0 1 393.944 3.109 20 0 GGADMN O=C(Nc1ccc2c3c(cccc31)CC2)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048877775 1405313533 /nfs/dbraw/zinc/31/35/33/1405313533.db2.gz FJBYKMFENKHOJQ-HXUWFJFHSA-N 0 1 399.494 3.268 20 0 GGADMN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000048875171 1405313822 /nfs/dbraw/zinc/31/38/22/1405313822.db2.gz OVWQWPFEJGMCKW-HXUWFJFHSA-N 0 1 379.504 3.313 20 0 GGADMN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048875689 1405313970 /nfs/dbraw/zinc/31/39/70/1405313970.db2.gz KLOXSWIXFDRNMS-INIZCTEOSA-N 0 1 392.286 3.323 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)N2CCCC2)c1 ZINC000048904793 1405319139 /nfs/dbraw/zinc/31/91/39/1405319139.db2.gz NYIVEYNXCMDCMY-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ncccc1CNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000048939132 1405324979 /nfs/dbraw/zinc/32/49/79/1405324979.db2.gz UTDDFGYMMVHITI-GOSISDBHSA-N 0 1 388.899 3.380 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cccc(Cn2ccnc2)c1)c1ccsc1 ZINC000048965582 1405329135 /nfs/dbraw/zinc/32/91/35/1405329135.db2.gz NEIQTQKPHXFHRD-LJQANCHMSA-N 0 1 383.521 3.095 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)NCCN2CCc3ccccc3C2)cc1OC ZINC000049132900 1405345895 /nfs/dbraw/zinc/34/58/95/1405345895.db2.gz IFFATSMUUVNJEE-KRWDZBQOSA-N 0 1 397.519 3.431 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000049168595 1405348433 /nfs/dbraw/zinc/34/84/33/1405348433.db2.gz WLKWFDAYALFOKU-UZLBHIALSA-N 0 1 393.487 3.212 20 0 GGADMN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000049167669 1405348680 /nfs/dbraw/zinc/34/86/80/1405348680.db2.gz SUHTVIVUIQNODL-CQSZACIVSA-N 0 1 386.883 3.109 20 0 GGADMN CCc1ccc([C@@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000049167128 1405348907 /nfs/dbraw/zinc/34/89/07/1405348907.db2.gz NGKBMRYYTSOXMI-VGOFRKELSA-N 0 1 381.520 3.028 20 0 GGADMN Cc1cc([C@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(C)s1 ZINC000049170064 1405349041 /nfs/dbraw/zinc/34/90/41/1405349041.db2.gz NIKBYRQDOYFXAF-HNAYVOBHSA-N 0 1 387.549 3.144 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000049168600 1405349154 /nfs/dbraw/zinc/34/91/54/1405349154.db2.gz WLKWFDAYALFOKU-OXQOHEQNSA-N 0 1 393.487 3.212 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000049173919 1405349916 /nfs/dbraw/zinc/34/99/16/1405349916.db2.gz SRVPJIYFDDTNFK-OXQOHEQNSA-N 0 1 399.560 3.188 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cn1 ZINC000049389793 1405374693 /nfs/dbraw/zinc/37/46/93/1405374693.db2.gz XVMPGWIQQCBLNX-QGZVFWFLSA-N 0 1 382.508 3.115 20 0 GGADMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)nc(C)n1 ZINC000049405320 1405377796 /nfs/dbraw/zinc/37/77/96/1405377796.db2.gz WYCDZQAKPJNNNZ-AEFFLSMTSA-N 0 1 377.448 3.214 20 0 GGADMN Cc1cc(C(C#N)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)nc(C)n1 ZINC000049405324 1405377972 /nfs/dbraw/zinc/37/79/72/1405377972.db2.gz WYCDZQAKPJNNNZ-FUHWJXTLSA-N 0 1 377.448 3.214 20 0 GGADMN COc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1N1CCCC1=O ZINC000049505489 1405381483 /nfs/dbraw/zinc/38/14/83/1405381483.db2.gz PDNUEUBEGVAXRH-UHFFFAOYSA-N 0 1 376.416 3.464 20 0 GGADMN Cc1c(C(=O)N=c2[nH]c(CN3CCC[C@@H](C)C3)cs2)oc2c1C(=O)CCC2 ZINC000049623890 1405388311 /nfs/dbraw/zinc/38/83/11/1405388311.db2.gz ROWLDLNNGJDVAK-GFCCVEGCSA-N 0 1 387.505 3.470 20 0 GGADMN O=C(NCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1)c1cccs1 ZINC000049652331 1405391411 /nfs/dbraw/zinc/39/14/11/1405391411.db2.gz QFQAKMXAVFPXPF-UHFFFAOYSA-N 0 1 397.544 3.379 20 0 GGADMN CC(C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[NH+]1CCC(C)CC1 ZINC000736275912 1426955811 /nfs/dbraw/zinc/95/58/11/1426955811.db2.gz KYALDMJNCPIDAU-AWEZNQCLSA-N 0 1 397.449 3.449 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCCNc1ccccn1)N1CCCC1 ZINC000049790108 1405417116 /nfs/dbraw/zinc/41/71/16/1405417116.db2.gz DHTHNAPHRROYJV-LJQANCHMSA-N 0 1 397.523 3.029 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCCCNc1ccccn1)N1CCCC1 ZINC000049790109 1405418367 /nfs/dbraw/zinc/41/83/67/1405418367.db2.gz DHTHNAPHRROYJV-IBGZPJMESA-N 0 1 397.523 3.029 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H]1COc2ccccc2C1)N1CCCC1 ZINC000049790122 1405418553 /nfs/dbraw/zinc/41/85/53/1405418553.db2.gz UPHPMAKZGQSNAG-AZUAARDMSA-N 0 1 395.503 3.135 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(F)c(F)c2)N(C)C)c1 ZINC000049798723 1405419902 /nfs/dbraw/zinc/41/99/02/1405419902.db2.gz QNOORUQQSKSTGD-LJQANCHMSA-N 0 1 377.435 3.418 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000049798445 1405420893 /nfs/dbraw/zinc/42/08/93/1405420893.db2.gz AZMRZIZKYUDGQJ-GOSISDBHSA-N 0 1 387.455 3.389 20 0 GGADMN O=C1CC2(CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c2cc(F)ccc21 ZINC001139089962 1427038075 /nfs/dbraw/zinc/03/80/75/1427038075.db2.gz ZZOHGTDCJIIVSA-UHFFFAOYSA-N 0 1 377.423 3.126 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1 ZINC000049968272 1405437829 /nfs/dbraw/zinc/43/78/29/1405437829.db2.gz HYCLVEFYZFFNNE-HNNXBMFYSA-N 0 1 375.875 3.479 20 0 GGADMN COc1cc(-c2noc(CN3CCN(CC(C)C)CC3)n2)ccc1OC(F)F ZINC000049970251 1405437935 /nfs/dbraw/zinc/43/79/35/1405437935.db2.gz TVMUAHXBFCQOCX-UHFFFAOYSA-N 0 1 396.438 3.120 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000049993843 1405441784 /nfs/dbraw/zinc/44/17/84/1405441784.db2.gz IIKGSSUROUQGKQ-WOJBJXKFSA-N 0 1 376.928 3.404 20 0 GGADMN COC(=O)CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000049992391 1405441969 /nfs/dbraw/zinc/44/19/69/1405441969.db2.gz NKZJZQFZBNZJEU-UHFFFAOYSA-N 0 1 399.428 3.192 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000049992640 1405442188 /nfs/dbraw/zinc/44/21/88/1405442188.db2.gz DTUAPRKEAKXDJG-QGZVFWFLSA-N 0 1 385.537 3.003 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000049992640 1405442195 /nfs/dbraw/zinc/44/21/95/1405442195.db2.gz DTUAPRKEAKXDJG-QGZVFWFLSA-N 0 1 385.537 3.003 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000049993841 1405442309 /nfs/dbraw/zinc/44/23/09/1405442309.db2.gz IIKGSSUROUQGKQ-UXHICEINSA-N 0 1 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KUBZITLRHLEYAZ-UHFFFAOYSA-N 0 1 379.482 3.200 20 0 GGADMN COc1ccc(C(=O)NNC(=O)c2csc(-c3ccccc3C)n2)cc1OC ZINC000066269207 1408800767 /nfs/dbraw/zinc/80/07/67/1408800767.db2.gz FMYQEWBOSQAWLP-UHFFFAOYSA-N 0 1 397.456 3.211 20 0 GGADMN C[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCCC1)NC(=O)C1CCCCC1 ZINC000066271915 1408801419 /nfs/dbraw/zinc/80/14/19/1408801419.db2.gz PFEQGFQOOAWRGM-IEBWSBKVSA-N 0 1 389.540 3.398 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cnn(C)c2C(F)F)CC1 ZINC000066273809 1408801874 /nfs/dbraw/zinc/80/18/74/1408801874.db2.gz YSEFRDVSLYCHHC-UHFFFAOYSA-N 0 1 397.857 3.405 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000066306384 1408808572 /nfs/dbraw/zinc/80/85/72/1408808572.db2.gz MRGSOXCUNRLARI-UHFFFAOYSA-N 0 1 398.868 3.124 20 0 GGADMN Cc1cccc(OCCCCC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000066314255 1408810164 /nfs/dbraw/zinc/81/01/64/1408810164.db2.gz JPHWERUNOYJPEF-UHFFFAOYSA-N 0 1 396.535 3.007 20 0 GGADMN COCCOc1ccccc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000066334941 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395.459 3.164 20 0 GGADMN CCCCn1c2nc(CN(C3CC3)C3CCCCC3)n(CC)c2c(=O)[nH]c1=O ZINC000066376219 1408826244 /nfs/dbraw/zinc/82/62/44/1408826244.db2.gz BTNGLVVOQBEDGN-UHFFFAOYSA-N 0 1 387.528 3.003 20 0 GGADMN CC[C@@H](C)Oc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000066404115 1408831719 /nfs/dbraw/zinc/83/17/19/1408831719.db2.gz YSUHMYNZKFVGIH-DYESRHJHSA-N 0 1 397.519 3.405 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CC(=O)NCc1ccccc1 ZINC000066422727 1408835267 /nfs/dbraw/zinc/83/52/67/1408835267.db2.gz PYDLRAWUVNABJR-UHFFFAOYSA-N 0 1 394.494 3.407 20 0 GGADMN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(CCc2cccs2)CC1 ZINC000066434974 1408837606 /nfs/dbraw/zinc/83/76/06/1408837606.db2.gz MOXUPXDWQORQAV-FQEVSTJZSA-N 0 1 387.524 3.067 20 0 GGADMN CC(C)[C@@H](CNC(=O)CN1CCN(CCc2cccs2)CC1)c1ccccc1 ZINC000066435277 1408837737 /nfs/dbraw/zinc/83/77/37/1408837737.db2.gz QTVUMEPCQKOESO-JOCHJYFZSA-N 0 1 399.604 3.464 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCN(CCc2cccs2)CC1 ZINC000066435118 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1408940614 /nfs/dbraw/zinc/94/06/14/1408940614.db2.gz BLIWKAXEQOSXLR-UHFFFAOYSA-N 0 1 382.570 3.243 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1 ZINC000066890748 1408942963 /nfs/dbraw/zinc/94/29/63/1408942963.db2.gz ZLCLTKOPOJAIBJ-FQEVSTJZSA-N 0 1 381.455 3.114 20 0 GGADMN C[C@@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1Cl ZINC000066891450 1408943053 /nfs/dbraw/zinc/94/30/53/1408943053.db2.gz KYUHSYNSXQIRAW-OAHLLOKOSA-N 0 1 387.915 3.047 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000066891524 1408943153 /nfs/dbraw/zinc/94/31/53/1408943153.db2.gz ISHQEKYZDUFVDG-FQEVSTJZSA-N 0 1 397.498 3.019 20 0 GGADMN C[C@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000066892089 1408943657 /nfs/dbraw/zinc/94/36/57/1408943657.db2.gz CEBQDVSCQOVPBJ-HNNXBMFYSA-N 0 1 387.915 3.047 20 0 GGADMN Cc1ccc([C@H](C)N(C)C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000066891965 1408943805 /nfs/dbraw/zinc/94/38/05/1408943805.db2.gz AEGVTFHOQSQJBF-SFHVURJKSA-N 0 1 381.524 3.044 20 0 GGADMN NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000066898486 1408944647 /nfs/dbraw/zinc/94/46/47/1408944647.db2.gz IKGYXBJBQCHVPN-SFHVURJKSA-N 0 1 397.544 3.472 20 0 GGADMN O=C(CN1CCC[C@@H](c2ccccc2)CC1)NNC(=O)c1ccccc1Cl ZINC000066898321 1408944737 /nfs/dbraw/zinc/94/47/37/1408944737.db2.gz NRUFJHXTDDWCAK-QGZVFWFLSA-N 0 1 385.895 3.371 20 0 GGADMN N#Cc1ccccc1COc1cccc(CNCc2ccc(-n3cncn3)nc2)c1 ZINC000066905330 1408947983 /nfs/dbraw/zinc/94/79/83/1408947983.db2.gz BVVBPGHIWMCGAL-UHFFFAOYSA-N 0 1 396.454 3.403 20 0 GGADMN CC(C)c1cc(C(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)n[nH]1 ZINC000176556102 1428362642 /nfs/dbraw/zinc/36/26/42/1428362642.db2.gz ZCBFLNBQHDIPHG-LBPRGKRZSA-N 0 1 385.386 3.064 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000066927484 1408953886 /nfs/dbraw/zinc/95/38/86/1408953886.db2.gz HTSVRKVZUKIEDM-UHFFFAOYSA-N 0 1 395.400 3.212 20 0 GGADMN NC(=O)[C@@H](Nc1ccc(NC(=O)CN2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000066939666 1408957994 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CCCN1Cc2cccc(N[C@H](C)C(=O)NC(=O)NCc3ccccc3)c2C1 ZINC000066968456 1408968262 /nfs/dbraw/zinc/96/82/62/1408968262.db2.gz HGVZAYXMTGBMAM-MRXNPFEDSA-N 0 1 380.492 3.239 20 0 GGADMN CC(C)CCN(CCC(C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066986265 1408972360 /nfs/dbraw/zinc/97/23/60/1408972360.db2.gz RIGYGMLXYRHRHP-UHFFFAOYSA-N 0 1 389.588 3.437 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 ZINC000066989488 1408973227 /nfs/dbraw/zinc/97/32/27/1408973227.db2.gz SZHRBKCHPAPMMB-UHFFFAOYSA-N 0 1 387.530 3.350 20 0 GGADMN CCCN(CC1CCCCC1)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066986658 1408973283 /nfs/dbraw/zinc/97/32/83/1408973283.db2.gz MPDUCQSVLVFFHH-UHFFFAOYSA-N 0 1 387.572 3.335 20 0 GGADMN O=S(=O)(Cc1ccccc1)NCCNCc1cnc(-c2ccccc2)s1 ZINC000066989181 1408973379 /nfs/dbraw/zinc/97/33/79/1408973379.db2.gz MSAAFJISKMQTAB-UHFFFAOYSA-N 0 1 387.530 3.019 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2cccc(Cl)c2Cl)nc2ccccc21 ZINC000066989658 1408973502 /nfs/dbraw/zinc/97/35/02/1408973502.db2.gz 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ZINC000067010562 1408979996 /nfs/dbraw/zinc/97/99/96/1408979996.db2.gz MNVSNRPHEZCQGB-OAHLLOKOSA-N 0 1 392.521 3.241 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000067013824 1408981219 /nfs/dbraw/zinc/98/12/19/1408981219.db2.gz UOYHITXQCAMQKJ-NRFANRHFSA-N 0 1 398.482 3.183 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OCc1cnc(-c2ccccc2)s1 ZINC000067027419 1408985193 /nfs/dbraw/zinc/98/51/93/1408985193.db2.gz XCKKVMVVKKHXLE-UHFFFAOYSA-N 0 1 394.456 3.049 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000067036676 1408988640 /nfs/dbraw/zinc/98/86/40/1408988640.db2.gz HMINBVYHHDSWPX-AZUAARDMSA-N 0 1 387.455 3.339 20 0 GGADMN O=C(NCc1ccc2c(c1)OCCCO2)NC[C@H](c1ccco1)N1CCCC1 ZINC000067036619 1408988817 /nfs/dbraw/zinc/98/88/17/1408988817.db2.gz NHURHYUOEBTDDR-QGZVFWFLSA-N 0 1 385.464 3.077 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000067036725 1408988883 /nfs/dbraw/zinc/98/88/83/1408988883.db2.gz 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CC[N@H+](Cc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1)C(C)C ZINC000067078925 1409003537 /nfs/dbraw/zinc/00/35/37/1409003537.db2.gz DWTXKSOPDPMZJT-UHFFFAOYSA-N 0 1 387.553 3.478 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1)C(C)C ZINC000067078925 1409003539 /nfs/dbraw/zinc/00/35/39/1409003539.db2.gz DWTXKSOPDPMZJT-UHFFFAOYSA-N 0 1 387.553 3.478 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000067124374 1409014765 /nfs/dbraw/zinc/01/47/65/1409014765.db2.gz YCACMWCYYABBSL-UHFFFAOYSA-N 0 1 398.828 3.190 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc3c2OCCO3)N2CCCC2)c1 ZINC000067131081 1409015931 /nfs/dbraw/zinc/01/59/31/1409015931.db2.gz LTKZEXIOVWPCIV-IBGZPJMESA-N 0 1 382.460 3.033 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC(=O)CN[C@H](C)c1ccc(Cl)cc1 ZINC000067131672 1409016175 /nfs/dbraw/zinc/01/61/75/1409016175.db2.gz XELVCIFMWJNTGY-CYBMUJFWSA-N 0 1 392.883 3.333 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cc(Cl)ccc1O ZINC000067145356 1409021502 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LIHLREQNBCQONV-WBVHZDCISA-N 0 1 382.508 3.272 20 0 GGADMN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)C1 ZINC000067158462 1409026512 /nfs/dbraw/zinc/02/65/12/1409026512.db2.gz PSKZKZIOYQRPQS-IRXDYDNUSA-N 0 1 382.508 3.226 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cn4c5ccccc5oc4=O)C3)[nH]c2c1 ZINC000067158682 1409026533 /nfs/dbraw/zinc/02/65/33/1409026533.db2.gz ZBHSPPLJLGYBJV-OAHLLOKOSA-N 0 1 390.443 3.185 20 0 GGADMN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)C1 ZINC000067158465 1409026540 /nfs/dbraw/zinc/02/65/40/1409026540.db2.gz PSKZKZIOYQRPQS-IAGOWNOFSA-N 0 1 382.508 3.226 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCC(=O)N5)C3)[nH]c2c1 ZINC000067158644 1409026632 /nfs/dbraw/zinc/02/66/32/1409026632.db2.gz ITIXCFSUBXRZMA-OAHLLOKOSA-N 0 1 390.443 3.222 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-n5cnnc5)cc4)C3)[nH]c2c1 ZINC000067158310 1409026691 /nfs/dbraw/zinc/02/66/91/1409026691.db2.gz BVJRGUDHYGZYQE-QGZVFWFLSA-N 0 1 386.459 3.472 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4n[nH]c(=O)c5ccccc54)C3)[nH]c2c1 ZINC000067158752 1409027000 /nfs/dbraw/zinc/02/70/00/1409027000.db2.gz STLSSHVSHKPLKF-CQSZACIVSA-N 0 1 387.443 3.128 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000067161013 1409028059 /nfs/dbraw/zinc/02/80/59/1409028059.db2.gz OFGVBYKZWPNTOZ-HOTGVXAUSA-N 0 1 381.542 3.257 20 0 GGADMN CC(C)(C)OC(=O)NCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000067163428 1409028430 /nfs/dbraw/zinc/02/84/30/1409028430.db2.gz HDSFBQVRXHKFEV-INIZCTEOSA-N 0 1 381.904 3.118 20 0 GGADMN COc1cc([C@H](C)NCc2c(C)nn(CCO)c2C)ccc1OCC(C)C ZINC000067186047 1409035905 /nfs/dbraw/zinc/03/59/05/1409035905.db2.gz BFUQCJZWESVPSY-HNNXBMFYSA-N 0 1 375.513 3.386 20 0 GGADMN CN(C)C(=O)COc1ccccc1CNCc1cccc(OCC(F)(F)F)c1 ZINC000067188778 1409036529 /nfs/dbraw/zinc/03/65/29/1409036529.db2.gz UYISHALFYKTLBQ-UHFFFAOYSA-N 0 1 396.409 3.385 20 0 GGADMN CC(C)[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)N1CCN(C)CC1 ZINC000067190895 1409037398 /nfs/dbraw/zinc/03/73/98/1409037398.db2.gz OLAYPANFWOAHHS-GOSISDBHSA-N 0 1 397.485 3.125 20 0 GGADMN CC(C)[C@@H](SCc1ccccc1)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000067191253 1409037559 /nfs/dbraw/zinc/03/75/59/1409037559.db2.gz DXPRGPLQNJALJP-NHCUHLMSSA-N 0 1 391.625 3.333 20 0 GGADMN CC(C)c1ccc(OCCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000067200296 1409039448 /nfs/dbraw/zinc/03/94/48/1409039448.db2.gz GNLQWHONVWSFNH-UHFFFAOYSA-N 0 1 396.535 3.042 20 0 GGADMN Cc1nn(CCO)c(C)c1CNCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000067215415 1409045369 /nfs/dbraw/zinc/04/53/69/1409045369.db2.gz CZNDZRPRCFOXOW-UHFFFAOYSA-N 0 1 396.466 3.173 20 0 GGADMN CC(C)NS(=O)(=O)c1cccc(CNCc2c[nH]nc2-c2cccs2)c1 ZINC000067216760 1409045700 /nfs/dbraw/zinc/04/57/00/1409045700.db2.gz ITJHHDYZAUTGLV-UHFFFAOYSA-N 0 1 390.534 3.115 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@@H](C)CN1CCCC1=O ZINC000067220580 1409045974 /nfs/dbraw/zinc/04/59/74/1409045974.db2.gz SVTJKOFVVRESMW-ZDUSSCGKSA-N 0 1 378.879 3.133 20 0 GGADMN CCCC[C@H](C(=O)OC)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000067226981 1409048146 /nfs/dbraw/zinc/04/81/46/1409048146.db2.gz XVRDLFOHSWJVMD-LJQANCHMSA-N 0 1 378.488 3.194 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000067248025 1409051845 /nfs/dbraw/zinc/05/18/45/1409051845.db2.gz RSPMGJINPKPXLK-LBPRGKRZSA-N 0 1 398.912 3.116 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000067248026 1409052040 /nfs/dbraw/zinc/05/20/40/1409052040.db2.gz RSPMGJINPKPXLK-GFCCVEGCSA-N 0 1 398.912 3.116 20 0 GGADMN COc1ccc(OC)c(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000067255211 1409054849 /nfs/dbraw/zinc/05/48/49/1409054849.db2.gz NWPIEKSILRNJIO-OAHLLOKOSA-N 0 1 385.382 3.252 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1ccco1 ZINC000067274293 1409060969 /nfs/dbraw/zinc/06/09/69/1409060969.db2.gz MABCMBQTGCTZCP-SJORKVTESA-N 0 1 387.480 3.067 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H](c2ccco2)N(CC)CC)c(C)c1C(=O)OC ZINC000067275858 1409061199 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COC(=O)COc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000068198586 1409328636 /nfs/dbraw/zinc/32/86/36/1409328636.db2.gz YHVCHPLDEBLRHG-SFHVURJKSA-N 0 1 395.415 3.219 20 0 GGADMN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000068199367 1409328738 /nfs/dbraw/zinc/32/87/38/1409328738.db2.gz OYONHMNOFPQJAC-KRWDZBQOSA-N 0 1 399.472 3.460 20 0 GGADMN COc1ccc(NC(=O)c2cc[nH]c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000068229196 1409335707 /nfs/dbraw/zinc/33/57/07/1409335707.db2.gz OHDQNJDQIGEJTB-UHFFFAOYSA-N 0 1 389.408 3.216 20 0 GGADMN Cc1nc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)nn1-c1ccccc1 ZINC000068236318 1409336885 /nfs/dbraw/zinc/33/68/85/1409336885.db2.gz BGTAXNOZDFAJFU-KRWDZBQOSA-N 0 1 381.505 3.204 20 0 GGADMN Cc1[nH]ncc1CNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000068238285 1409337416 /nfs/dbraw/zinc/33/74/16/1409337416.db2.gz SLLQODZHQZDMGE-UHFFFAOYSA-N 0 1 382.424 3.096 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c(C(F)(F)F)c1 ZINC000068239518 1409338086 /nfs/dbraw/zinc/33/80/86/1409338086.db2.gz SQQUJCDYVLALDE-UHFFFAOYSA-N 0 1 388.367 3.004 20 0 GGADMN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000068239614 1409338376 /nfs/dbraw/zinc/33/83/76/1409338376.db2.gz TVQZWYLXXIRKFY-UHFFFAOYSA-N 0 1 378.432 3.067 20 0 GGADMN CCN(C)[C@H](C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000068254735 1409341048 /nfs/dbraw/zinc/34/10/48/1409341048.db2.gz CNKYSTYJZGMOII-NRFANRHFSA-N 0 1 394.519 3.492 20 0 GGADMN CCCCN1C(=O)CC[C@H](C(=O)NCc2cn[nH]c2C)[C@H]1c1ccccc1OC ZINC000068271513 1409347281 /nfs/dbraw/zinc/34/72/81/1409347281.db2.gz HHCNINCOCHROFR-GHTZIAJQSA-N 0 1 398.507 3.123 20 0 GGADMN Cc1nc(C(=O)N2CCCN(Cc3ccccc3C)CC2)nn1-c1ccccc1 ZINC000068275936 1409349307 /nfs/dbraw/zinc/34/93/07/1409349307.db2.gz MMDPOFGPBFQRKH-UHFFFAOYSA-N 0 1 389.503 3.232 20 0 GGADMN COC(=O)c1ccc(CCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000068288328 1409354043 /nfs/dbraw/zinc/35/40/43/1409354043.db2.gz PAQDTIFNHLOGCJ-UHFFFAOYSA-N 0 1 398.478 3.326 20 0 GGADMN COC(=O)c1ccc(CCC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000068330571 1409368645 /nfs/dbraw/zinc/36/86/45/1409368645.db2.gz LIQUHDMMKBFGKH-LJQANCHMSA-N 0 1 384.476 3.261 20 0 GGADMN NC(=O)CCN(Cc1ccccc1)C(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000068333619 1409369836 /nfs/dbraw/zinc/36/98/36/1409369836.db2.gz LKYXUFHALNGVCJ-JOCHJYFZSA-N 0 1 391.515 3.043 20 0 GGADMN C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068335370 1409370565 /nfs/dbraw/zinc/37/05/65/1409370565.db2.gz SKTSVXMDGDOGQT-FXAWDEMLSA-N 0 1 377.573 3.184 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068335594 1409371397 /nfs/dbraw/zinc/37/13/97/1409371397.db2.gz PNKBFEUMZKOPAU-GOSISDBHSA-N 0 1 385.552 3.194 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000068335519 1409371444 /nfs/dbraw/zinc/37/14/44/1409371444.db2.gz JFGXGFUPCVQKNE-GOSISDBHSA-N 0 1 385.552 3.161 20 0 GGADMN C[C@H](CNC(=O)c1cc(Cl)ccc1OC1CCCC1)N1CCN(C)CC1 ZINC000176670774 1428399006 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C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000068441586 1409403769 /nfs/dbraw/zinc/40/37/69/1409403769.db2.gz AZXOLXSPHZJTAV-LBPRGKRZSA-N 0 1 380.473 3.179 20 0 GGADMN CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447032 1409405114 /nfs/dbraw/zinc/40/51/14/1409405114.db2.gz LUZFSNAUBQXNLM-INIZCTEOSA-N 0 1 379.574 3.492 20 0 GGADMN CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447032 1409405119 /nfs/dbraw/zinc/40/51/19/1409405119.db2.gz LUZFSNAUBQXNLM-INIZCTEOSA-N 0 1 379.574 3.492 20 0 GGADMN CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447030 1409405321 /nfs/dbraw/zinc/40/53/21/1409405321.db2.gz LUZFSNAUBQXNLM-MRXNPFEDSA-N 0 1 379.574 3.492 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447030 1409405325 /nfs/dbraw/zinc/40/53/25/1409405325.db2.gz LUZFSNAUBQXNLM-MRXNPFEDSA-N 0 1 379.574 3.492 20 0 GGADMN CC[C@@H](C)N(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000068449999 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3.230 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000068461950 1409410171 /nfs/dbraw/zinc/41/01/71/1409410171.db2.gz ABWUMXROJHQZOR-OXQOHEQNSA-N 0 1 381.476 3.263 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@H]1CCOc2ccc(F)cc21 ZINC000068480315 1409413594 /nfs/dbraw/zinc/41/35/94/1409413594.db2.gz UFWOMFZPELFBKD-INIZCTEOSA-N 0 1 399.447 3.228 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000068489450 1409417265 /nfs/dbraw/zinc/41/72/65/1409417265.db2.gz ATRJWRNWXFRYNT-DYVFJYSZSA-N 0 1 390.509 3.146 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000068489775 1409418132 /nfs/dbraw/zinc/41/81/32/1409418132.db2.gz VKWGNNDIBHLLRE-XJKSGUPXSA-N 0 1 390.509 3.146 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000068490180 1409418183 /nfs/dbraw/zinc/41/81/83/1409418183.db2.gz INUJVBWOLJPYOP-FQEVSTJZSA-N 0 1 375.513 3.092 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000737034205 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378.476 3.409 20 0 GGADMN CN(CCc1ccccc1F)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000068572311 1409442516 /nfs/dbraw/zinc/44/25/16/1409442516.db2.gz ZVLDXXOROYWAHP-UHFFFAOYSA-N 0 1 385.464 3.289 20 0 GGADMN O=C(NNC(=O)c1ccc2ccccc2n1)Nc1nnc(-c2ccccc2)s1 ZINC000068595673 1409447743 /nfs/dbraw/zinc/44/77/43/1409447743.db2.gz WDSHHBJEVIBDIQ-UHFFFAOYSA-N 0 1 390.428 3.220 20 0 GGADMN Cc1nn(CN2CCN(CCc3cccs3)CC2)c(C)c1Br ZINC000068615739 1409450408 /nfs/dbraw/zinc/45/04/08/1409450408.db2.gz CCWHMKGQPDZBNC-UHFFFAOYSA-N 0 1 383.359 3.142 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000068609186 1409450601 /nfs/dbraw/zinc/45/06/01/1409450601.db2.gz SUKDYANKKASVRW-UHFFFAOYSA-N 0 1 393.413 3.310 20 0 GGADMN CC(C)CN1CCO[C@@H](CNc2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC000068660591 1409460198 /nfs/dbraw/zinc/46/01/98/1409460198.db2.gz JYFWXHYOONUVNE-KRWDZBQOSA-N 0 1 394.947 3.130 20 0 GGADMN C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(N2CCCC2=O)cc1 ZINC000068662297 1409461659 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COc1ccc(-c2n[nH]c(SC[C@@H](O)c3ccc(F)cc3)n2)c(OC)c1 ZINC000069057998 1409554097 /nfs/dbraw/zinc/55/40/97/1409554097.db2.gz MBNHCDFGVLMBCW-OAHLLOKOSA-N 0 1 375.425 3.454 20 0 GGADMN COc1ccc2ccccc2c1CNCCS(=O)(=O)NCc1ccccc1 ZINC000069065366 1409554614 /nfs/dbraw/zinc/55/46/14/1409554614.db2.gz FZUYGIWXEVFRFV-UHFFFAOYSA-N 0 1 384.501 3.058 20 0 GGADMN Cc1nn(CCO)c(C)c1CNCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000069067325 1409555291 /nfs/dbraw/zinc/55/52/91/1409555291.db2.gz MOLHJNISLMJJPW-UHFFFAOYSA-N 0 1 384.524 3.301 20 0 GGADMN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c(OC)c1 ZINC000069067623 1409555999 /nfs/dbraw/zinc/55/59/99/1409555999.db2.gz IVZCXMJXCKOESE-UHFFFAOYSA-N 0 1 389.883 3.361 20 0 GGADMN CC(=O)Nc1ccc2c(CN3CCN(C)c4ccccc4C3)cc(=O)oc2c1 ZINC000069090599 1409563270 /nfs/dbraw/zinc/56/32/70/1409563270.db2.gz PCQRNIXMYQNABP-UHFFFAOYSA-N 0 1 377.444 3.203 20 0 GGADMN C[NH+](C)C[C@H]1CCCCN1C(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000176694835 1428413344 /nfs/dbraw/zinc/41/33/44/1428413344.db2.gz 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CCS(=O)(=O)CCNCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000069173154 1409580387 /nfs/dbraw/zinc/58/03/87/1409580387.db2.gz QBIQTSSQRGYMSH-UHFFFAOYSA-N 0 1 389.546 3.184 20 0 GGADMN CCS(=O)(=O)CCNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000069173463 1409580844 /nfs/dbraw/zinc/58/08/44/1409580844.db2.gz DBDZNDLVAWCVHX-LBPRGKRZSA-N 0 1 393.349 3.083 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000069173911 1409581008 /nfs/dbraw/zinc/58/10/08/1409581008.db2.gz IKFFZSFACHRRHW-LSDHHAIUSA-N 0 1 399.988 3.377 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000069173914 1409581117 /nfs/dbraw/zinc/58/11/17/1409581117.db2.gz IKFFZSFACHRRHW-GJZGRUSLSA-N 0 1 399.988 3.377 20 0 GGADMN CCS(=O)(=O)CCNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000069173461 1409581245 /nfs/dbraw/zinc/58/12/45/1409581245.db2.gz DBDZNDLVAWCVHX-GFCCVEGCSA-N 0 1 393.349 3.083 20 0 GGADMN C[C@H](Sc1nc(N)cc(N)n1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000069200152 1409583939 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Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000176701672 1428419777 /nfs/dbraw/zinc/41/97/77/1428419777.db2.gz XPWPWOFJBXGSCD-UHFFFAOYSA-N 0 1 376.413 3.164 20 0 GGADMN CN1CCN(C[C@H](NC(=O)N[C@@H](c2ccccc2)C2CC2)c2ccccc2)CC1 ZINC000069260332 1409597519 /nfs/dbraw/zinc/59/75/19/1409597519.db2.gz DYRBWCGYLLZMGI-GOTSBHOMSA-N 0 1 392.547 3.426 20 0 GGADMN CC(C)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 ZINC000069267041 1409598600 /nfs/dbraw/zinc/59/86/00/1409598600.db2.gz SELIESFYNSYCRD-UHFFFAOYSA-N 0 1 397.519 3.029 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000069267309 1409598765 /nfs/dbraw/zinc/59/87/65/1409598765.db2.gz VZTAXWAJLOQDNP-UHFFFAOYSA-N 0 1 388.512 3.245 20 0 GGADMN CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000069271326 1409599871 /nfs/dbraw/zinc/59/98/71/1409599871.db2.gz BOYJDWYEMGZTGM-OAQYLSRUSA-N 0 1 395.551 3.044 20 0 GGADMN CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000069271317 1409599988 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O=C(CN1CCC[C@@H](CN2CCOCC2)C1)Nc1ccc(-c2ccccc2)cc1 ZINC000069857661 1409715051 /nfs/dbraw/zinc/71/50/51/1409715051.db2.gz PFGZOCZHTHXYFN-FQEVSTJZSA-N 0 1 393.531 3.336 20 0 GGADMN Cc1ccsc1CN(C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069864555 1409716987 /nfs/dbraw/zinc/71/69/87/1409716987.db2.gz ZOTFBMQKDGMZCK-IBGZPJMESA-N 0 1 386.565 3.187 20 0 GGADMN CN(C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000069864483 1409717040 /nfs/dbraw/zinc/71/70/40/1409717040.db2.gz XFCWQNKEVDAHIS-PKTZIBPZSA-N 0 1 392.547 3.304 20 0 GGADMN CN(CCCc1ccccc1)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069864485 1409717337 /nfs/dbraw/zinc/71/73/37/1409717337.db2.gz IXSWZGXQRLIXEC-QHCPKHFHSA-N 0 1 394.563 3.249 20 0 GGADMN C[C@@H](CN(C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccccc1 ZINC000069862390 1409717400 /nfs/dbraw/zinc/71/74/00/1409717400.db2.gz JUZGSGAJLJHEJM-NZQKXSOJSA-N 0 1 394.563 3.420 20 0 GGADMN CN1CCN(C[C@H](NC(=O)N2CCC[C@H]2C2CCCC2)c2ccccc2)CC1 ZINC000069865229 1409718335 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Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133971 1410223729 /nfs/dbraw/zinc/22/37/29/1410223729.db2.gz QQKVBIFNCSSIBV-ZDUSSCGKSA-N 0 1 384.434 3.272 20 0 GGADMN CCOc1c(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)nn1CC(C)C ZINC000093133839 1410223779 /nfs/dbraw/zinc/22/37/79/1410223779.db2.gz APOGNLOURBHSIQ-QGZVFWFLSA-N 0 1 386.544 3.164 20 0 GGADMN COc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c(OC(F)F)c1 ZINC000093133951 1410224217 /nfs/dbraw/zinc/22/42/17/1410224217.db2.gz YZJCIIUAMYXVKX-AWEZNQCLSA-N 0 1 378.423 3.214 20 0 GGADMN COc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(Cl)c1OC ZINC000093134519 1410224901 /nfs/dbraw/zinc/22/49/01/1410224901.db2.gz APDPGLGIORIPPU-CQSZACIVSA-N 0 1 376.888 3.275 20 0 GGADMN COc1cc(CN2CCC[C@@H](N3CCCC3=O)C2)ccc1OCC(F)(F)F ZINC000093278115 1410228188 /nfs/dbraw/zinc/22/81/88/1410228188.db2.gz CYEHSCIMAMPZFT-OAHLLOKOSA-N 0 1 386.414 3.223 20 0 GGADMN COC(=O)C(C)(C)[C@H]1CCCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000093278851 1410228970 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Cc1nn(-c2ccc(F)cc2)c(C)c1CN(CCO)CCOCC(F)(F)F ZINC000093320087 1410233586 /nfs/dbraw/zinc/23/35/86/1410233586.db2.gz RIHPZUPKVAJCSB-UHFFFAOYSA-N 0 1 389.393 3.001 20 0 GGADMN COc1cc(CN(C)[C@H](C)c2cccc(O)c2)cc(Cl)c1OCC(N)=O ZINC000093315526 1410233753 /nfs/dbraw/zinc/23/37/53/1410233753.db2.gz LELXOSRUSXVNNY-GFCCVEGCSA-N 0 1 378.856 3.111 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000093320932 1410234630 /nfs/dbraw/zinc/23/46/30/1410234630.db2.gz QDPPXAAFVNTGFF-UHFFFAOYSA-N 0 1 380.554 3.254 20 0 GGADMN COCCN(Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000093358360 1410237278 /nfs/dbraw/zinc/23/72/78/1410237278.db2.gz OENXRPHWZZAKCA-UHFFFAOYSA-N 0 1 395.459 3.463 20 0 GGADMN CCN(Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362382 1410239555 /nfs/dbraw/zinc/23/95/55/1410239555.db2.gz LMAOOJAMDAAMCW-NRFANRHFSA-N 0 1 375.476 3.203 20 0 GGADMN COC(=O)CCn1nc(C)c(CN(C)[C@H]2CCCc3nc(C)sc32)c1C ZINC000093365021 1410240386 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Cn1ccnc1[C@@H](O)C1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000093454926 1410246895 /nfs/dbraw/zinc/24/68/95/1410246895.db2.gz LTGJUGDLQNDVGV-QFIPXVFZSA-N 0 1 392.503 3.340 20 0 GGADMN COc1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1OCC(C)C ZINC000093454386 1410247090 /nfs/dbraw/zinc/24/70/90/1410247090.db2.gz DGXMKCZNCZDBAD-NRFANRHFSA-N 0 1 387.524 3.409 20 0 GGADMN COCCN1[C@H](C)CN(Cc2cc3cnn(C(C)C)c3nc2Cl)C[C@@H]1C ZINC000093478772 1410248227 /nfs/dbraw/zinc/24/82/27/1410248227.db2.gz VFYHZMMCQPASAB-GASCZTMLSA-N 0 1 379.936 3.207 20 0 GGADMN Cc1cc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)ccc1-n1cncn1 ZINC000093512456 1410249378 /nfs/dbraw/zinc/24/93/78/1410249378.db2.gz JGDYOTGFTBIRGC-NRFANRHFSA-N 0 1 375.476 3.203 20 0 GGADMN Cc1cc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1-n1cncn1 ZINC000093512455 1410249509 /nfs/dbraw/zinc/24/95/09/1410249509.db2.gz JGDYOTGFTBIRGC-OAQYLSRUSA-N 0 1 375.476 3.203 20 0 GGADMN COc1ccc2cc(CN3CCN(c4ccc(C(N)=O)cc4)CC3)ccc2c1 ZINC000093533916 1410249966 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COC(=O)[C@H](C)Oc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000093638444 1410256989 /nfs/dbraw/zinc/25/69/89/1410256989.db2.gz BYJRYYINKXTPKB-GAJHUEQPSA-N 0 1 381.472 3.301 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000093638446 1410257104 /nfs/dbraw/zinc/25/71/04/1410257104.db2.gz BYJRYYINKXTPKB-UZUQRXQVSA-N 0 1 381.472 3.301 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CN(C)C1CCS(=O)CC1 ZINC000093659281 1410257741 /nfs/dbraw/zinc/25/77/41/1410257741.db2.gz PVMVFLACOBASSA-UHFFFAOYSA-N 0 1 396.354 3.286 20 0 GGADMN CC(C)c1nn(-c2ccccc2)cc1CN1CCC(N2CCCNC2=O)CC1 ZINC000093668732 1410259334 /nfs/dbraw/zinc/25/93/34/1410259334.db2.gz DYLUOLZMTWFROQ-UHFFFAOYSA-N 0 1 381.524 3.375 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000093684689 1410259934 /nfs/dbraw/zinc/25/99/34/1410259934.db2.gz AHMKZNHGAHEMJM-NHCUHLMSSA-N 0 1 389.565 3.178 20 0 GGADMN COc1cc(CN2CCSC3(CCCCC3)C2)cc(Cl)c1OCC(N)=O ZINC000093705244 1410260949 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COc1cc(CN(C)CCN2C(=O)c3ccccc3C2=O)ccc1OC(C)C ZINC000093837771 1410272606 /nfs/dbraw/zinc/27/26/06/1410272606.db2.gz VJTMJCHUAIPQQG-UHFFFAOYSA-N 0 1 382.460 3.210 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N(C)Cc3cccc4[nH]ccc43)C2=O)c1 ZINC000093840881 1410273995 /nfs/dbraw/zinc/27/39/95/1410273995.db2.gz YLZYUZJKIYSEIK-NRFANRHFSA-N 0 1 379.460 3.422 20 0 GGADMN CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@@H]1CCCc2c1cnn2C ZINC000093864366 1410274908 /nfs/dbraw/zinc/27/49/08/1410274908.db2.gz XFSMHPYBWLHIIM-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN Cc1nn(CCO)c(C)c1CN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000093866402 1410276222 /nfs/dbraw/zinc/27/62/22/1410276222.db2.gz XZEULNWGHNPOFR-HXUWFJFHSA-N 0 1 385.533 3.290 20 0 GGADMN CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000093867903 1410276292 /nfs/dbraw/zinc/27/62/92/1410276292.db2.gz SRGHALKCNDPCHC-UHFFFAOYSA-N 0 1 390.505 3.267 20 0 GGADMN CCc1nsc(N2CCCN(Cc3c[nH]nc3-c3ccc(OC)cc3)CC2)n1 ZINC000093871653 1410277565 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20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000177371705 1428708102 /nfs/dbraw/zinc/70/81/02/1428708102.db2.gz ABAPMRSSXPRIKT-INIZCTEOSA-N 0 1 384.476 3.271 20 0 GGADMN COC(=O)c1oc(CN2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc1C ZINC000177370749 1428708168 /nfs/dbraw/zinc/70/81/68/1428708168.db2.gz ZUMZQPAQSDUHJL-UHFFFAOYSA-N 0 1 388.464 3.468 20 0 GGADMN Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000118876047 1413256724 /nfs/dbraw/zinc/25/67/24/1413256724.db2.gz RIKKMQQGLALASU-LJQANCHMSA-N 0 1 394.519 3.483 20 0 GGADMN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000118877506 1413256957 /nfs/dbraw/zinc/25/69/57/1413256957.db2.gz JYNHJQQXYUBQTF-UHFFFAOYSA-N 0 1 391.475 3.045 20 0 GGADMN COC(=O)N[C@H](C(=O)OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1)C(C)C ZINC000118899594 1413264460 /nfs/dbraw/zinc/26/44/60/1413264460.db2.gz HMVXBWHWMXSZEH-KSSFIOAISA-N 0 1 398.450 3.101 20 0 GGADMN CN(C[C@@H]1CCOC1)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000118943072 1413267392 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GGADMN COc1ccc(OCCCN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000177387829 1428714179 /nfs/dbraw/zinc/71/41/79/1428714179.db2.gz MBQYUPFLNQFFRI-LJQANCHMSA-N 0 1 396.409 3.473 20 0 GGADMN Cc1ncc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1-c1ccccc1 ZINC000177389112 1428714619 /nfs/dbraw/zinc/71/46/19/1428714619.db2.gz DWUDXWLNOJTZOH-MRXNPFEDSA-N 0 1 398.532 3.282 20 0 GGADMN COc1ccc(OC(F)F)c(CN[C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000118977847 1413287125 /nfs/dbraw/zinc/28/71/25/1413287125.db2.gz DKYBUEMIXOLFQX-GFCCVEGCSA-N 0 1 375.379 3.123 20 0 GGADMN C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000118983679 1413289765 /nfs/dbraw/zinc/28/97/65/1413289765.db2.gz WDQQKASVOVOJST-PZJWPPBQSA-N 0 1 380.573 3.465 20 0 GGADMN COc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000119012036 1413303578 /nfs/dbraw/zinc/30/35/78/1413303578.db2.gz CCYKXSSSQAZXLO-LBPRGKRZSA-N 0 1 375.379 3.123 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000119020390 1413307033 /nfs/dbraw/zinc/30/70/33/1413307033.db2.gz HEGAYANRNUFLTM-INIZCTEOSA-N 0 1 382.386 3.136 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000119021978 1413307369 /nfs/dbraw/zinc/30/73/69/1413307369.db2.gz DQZKGCFSDUMROG-UHFFFAOYSA-N 0 1 378.358 3.361 20 0 GGADMN CN1CCc2ccc(C(=O)N3CCC[C@@H](c4nnc(-c5ccccc5)[nH]4)C3)cc21 ZINC000119035167 1413312402 /nfs/dbraw/zinc/31/24/02/1413312402.db2.gz PSRLNCTYYICEMD-LJQANCHMSA-N 0 1 387.487 3.484 20 0 GGADMN O=C(CN1CCC[C@H](Cn2ccnn2)C1)Nc1ccccc1Cc1ccccc1 ZINC000119060208 1413321206 /nfs/dbraw/zinc/32/12/06/1413321206.db2.gz QDVDYIPSLGYOFT-FQEVSTJZSA-N 0 1 389.503 3.220 20 0 GGADMN C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc2c(c1)CCC2 ZINC000119062339 1413322238 /nfs/dbraw/zinc/32/22/38/1413322238.db2.gz YYTUXWMSQHEULR-INIZCTEOSA-N 0 1 378.520 3.123 20 0 GGADMN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000119064572 1413322570 /nfs/dbraw/zinc/32/25/70/1413322570.db2.gz SIRLUTIWWZWAAJ-CQSZACIVSA-N 0 1 395.484 3.070 20 0 GGADMN CC1(C)Cc2occc2[C@H](NCc2cccnc2N2CCC(C(N)=O)CC2)C1 ZINC000119066045 1413323265 /nfs/dbraw/zinc/32/32/65/1413323265.db2.gz XLPIGBHSIWPDKL-GOSISDBHSA-N 0 1 382.508 3.180 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cnn(-c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000119069675 1413324885 /nfs/dbraw/zinc/32/48/85/1413324885.db2.gz AEKGQSMSYZMCIV-GASCZTMLSA-N 0 1 391.903 3.147 20 0 GGADMN C[C@H](c1ccccc1)[C@H](C)NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000119070064 1413325108 /nfs/dbraw/zinc/32/51/08/1413325108.db2.gz UHLQAKBLTIKEIE-GPHNJDIKSA-N 0 1 381.520 3.113 20 0 GGADMN O=C(NC[C@H](O)c1ccsc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000119070791 1413325242 /nfs/dbraw/zinc/32/52/42/1413325242.db2.gz LNCDIQYZKMVHTQ-SFHVURJKSA-N 0 1 393.940 3.399 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cnn(-c3ccccc3Cl)c2)C[C@@H](C)O1 ZINC000119069850 1413325286 /nfs/dbraw/zinc/32/52/86/1413325286.db2.gz AEKGQSMSYZMCIV-HUUCEWRRSA-N 0 1 391.903 3.147 20 0 GGADMN CNc1nc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cs1 ZINC000119072921 1413325842 /nfs/dbraw/zinc/32/58/42/1413325842.db2.gz VDTAMSINWTWOCA-UHFFFAOYSA-N 0 1 387.509 3.252 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000119073833 1413326848 /nfs/dbraw/zinc/32/68/48/1413326848.db2.gz HUCHLCJUXMWMBW-YCRPNKLZSA-N 0 1 379.460 3.471 20 0 GGADMN CCc1onc(C)c1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119081668 1413329859 /nfs/dbraw/zinc/32/98/59/1413329859.db2.gz LLBCLQSKGZETDL-GASCZTMLSA-N 0 1 386.496 3.476 20 0 GGADMN C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000119086379 1413330850 /nfs/dbraw/zinc/33/08/50/1413330850.db2.gz SRPLCMMVHKFAEM-CYBMUJFWSA-N 0 1 390.890 3.427 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000119088140 1413331535 /nfs/dbraw/zinc/33/15/35/1413331535.db2.gz MMSXGZRVTVPZFB-SFHVURJKSA-N 0 1 392.503 3.308 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(CN2CCCN(C(=O)C3CC3)CC2)o1 ZINC000119087961 1413331969 /nfs/dbraw/zinc/33/19/69/1413331969.db2.gz UTRBZOCFVVXXNQ-UHFFFAOYSA-N 0 1 382.460 3.178 20 0 GGADMN C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cnc2ccsc2c1 ZINC000119099796 1413336519 /nfs/dbraw/zinc/33/65/19/1413336519.db2.gz ILMBAPQYHJYZGG-CQSZACIVSA-N 0 1 395.532 3.244 20 0 GGADMN Cc1cc([C@@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc(C)c1F ZINC000119121469 1413345631 /nfs/dbraw/zinc/34/56/31/1413345631.db2.gz XAPJLMBJPWDMLX-MRXNPFEDSA-N 0 1 384.499 3.390 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cc(F)c(F)c(F)c3)n2)cc1 ZINC000119134687 1413350811 /nfs/dbraw/zinc/35/08/11/1413350811.db2.gz GCECSTSZWNGFKC-UHFFFAOYSA-N 0 1 377.326 3.219 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cc(F)c(F)c(F)c3)n[nH]2)cc1 ZINC000119134687 1413350822 /nfs/dbraw/zinc/35/08/22/1413350822.db2.gz GCECSTSZWNGFKC-UHFFFAOYSA-N 0 1 377.326 3.219 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@H](c4cc[nH]n4)C3)n2)cc1 ZINC000119136207 1413351217 /nfs/dbraw/zinc/35/12/17/1413351217.db2.gz GEJHTVMVNIMNCJ-HNNXBMFYSA-N 0 1 382.493 3.002 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)n2)cc1 ZINC000119136372 1413352216 /nfs/dbraw/zinc/35/22/16/1413352216.db2.gz GEJHTVMVNIMNCJ-OAHLLOKOSA-N 0 1 382.493 3.002 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)CC2)CCO1 ZINC000119143333 1413354329 /nfs/dbraw/zinc/35/43/29/1413354329.db2.gz QCZYRSIYYDRXGE-FOIQADDNSA-N 0 1 375.488 3.098 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)NC[C@H](c3cccs3)N(C)C)ccc21 ZINC000119146059 1413354743 /nfs/dbraw/zinc/35/47/43/1413354743.db2.gz YGIDOJKKMPEDPK-GOSISDBHSA-N 0 1 398.532 3.470 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1nc(Br)cs1 ZINC000119150805 1413356692 /nfs/dbraw/zinc/35/66/92/1413356692.db2.gz WVJMXJNPQPVGDM-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000119157559 1413358722 /nfs/dbraw/zinc/35/87/22/1413358722.db2.gz SFMDAWUDFAEHRG-CYBMUJFWSA-N 0 1 381.745 3.391 20 0 GGADMN CCN1CCN(CC(=O)Nc2cc(F)ccc2Nc2ccc(F)cc2F)CC1 ZINC000119160056 1413360240 /nfs/dbraw/zinc/36/02/40/1413360240.db2.gz MNIOUWBIMQOHBN-UHFFFAOYSA-N 0 1 392.425 3.424 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000119180803 1413367665 /nfs/dbraw/zinc/36/76/65/1413367665.db2.gz YSYHFLVIRMWSCD-VQTJNVASSA-N 0 1 399.560 3.152 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2OC(F)(F)F)cc1 ZINC000119182608 1413368475 /nfs/dbraw/zinc/36/84/75/1413368475.db2.gz IMXCKZJDLUTBCY-GFCCVEGCSA-N 0 1 388.411 3.344 20 0 GGADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc2n[nH]cc2c1 ZINC000119184098 1413369151 /nfs/dbraw/zinc/36/91/51/1413369151.db2.gz GIONZWQONVEQOF-OAHLLOKOSA-N 0 1 386.337 3.219 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119188314 1413370002 /nfs/dbraw/zinc/37/00/02/1413370002.db2.gz XVNJNPMYVZTYQP-OPAMFIHVSA-N 0 1 397.494 3.069 20 0 GGADMN CCc1ncsc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119188673 1413370169 /nfs/dbraw/zinc/37/01/69/1413370169.db2.gz CRNOTBSMPQUWDJ-ZDUSSCGKSA-N 0 1 376.501 3.087 20 0 GGADMN COc1cc(CN[C@H]2c3ccccc3C[C@H]2O)ccc1OCc1ccncc1 ZINC000119190991 1413371342 /nfs/dbraw/zinc/37/13/42/1413371342.db2.gz QBZIQOZAWFJXSO-OFNKIYASSA-N 0 1 376.456 3.417 20 0 GGADMN CCc1onc(C)c1NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119204137 1413375127 /nfs/dbraw/zinc/37/51/27/1413375127.db2.gz XZWNNVMAANCUHD-CYBMUJFWSA-N 0 1 389.475 3.319 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4nncn4C(C)C)C3)n[nH]2)c1 ZINC000119209219 1413376245 /nfs/dbraw/zinc/37/62/45/1413376245.db2.gz BNBMMJBDZJIVKR-MRXNPFEDSA-N 0 1 394.479 3.278 20 0 GGADMN CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1(CC)CC ZINC000177406506 1428721961 /nfs/dbraw/zinc/72/19/61/1428721961.db2.gz SLAAGRODDOCXBA-MOPGFXCFSA-N 0 1 389.540 3.243 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCC[C@H](c4nncn4C(C)C)C3)n[nH]2)c1 ZINC000119209352 1413376373 /nfs/dbraw/zinc/37/63/73/1413376373.db2.gz BNBMMJBDZJIVKR-INIZCTEOSA-N 0 1 394.479 3.278 20 0 GGADMN CC(C)n1nccc1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119217958 1413378611 /nfs/dbraw/zinc/37/86/11/1413378611.db2.gz LLYBAVSLKGLJTI-CQSZACIVSA-N 0 1 378.358 3.120 20 0 GGADMN CC(C)CCOCCNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119219149 1413379223 /nfs/dbraw/zinc/37/92/23/1413379223.db2.gz VGIZBVXBONGQLF-OAHLLOKOSA-N 0 1 399.417 3.275 20 0 GGADMN CCCCOCCNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119219455 1413379244 /nfs/dbraw/zinc/37/92/44/1413379244.db2.gz RBTKBZNUDQFIRI-CQSZACIVSA-N 0 1 385.390 3.029 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nncn4C(C)C)C3)n[nH]2)cc1 ZINC000119224659 1413381029 /nfs/dbraw/zinc/38/10/29/1413381029.db2.gz OZMSFQJBJFQGFP-INIZCTEOSA-N 0 1 394.479 3.278 20 0 GGADMN CO[C@@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000119227077 1413381803 /nfs/dbraw/zinc/38/18/03/1413381803.db2.gz CEJVMEOTTZGJQB-JKSUJKDBSA-N 0 1 390.365 3.417 20 0 GGADMN CC(C)c1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)no1 ZINC000119227767 1413382084 /nfs/dbraw/zinc/38/20/84/1413382084.db2.gz PEXQRYXSPLUWNN-CQSZACIVSA-N 0 1 379.342 3.454 20 0 GGADMN CC(C)CCO[C@@H](C)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119232489 1413383705 /nfs/dbraw/zinc/38/37/05/1413383705.db2.gz YCDGRMPLGDWYKK-SWLSCSKDSA-N 0 1 384.402 3.480 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3O)C2)CC1 ZINC000177407185 1428722555 /nfs/dbraw/zinc/72/25/55/1428722555.db2.gz DVOVQIKUOVDTSU-GOSISDBHSA-N 0 1 395.503 3.037 20 0 GGADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccncc1Cl ZINC000119233458 1413384153 /nfs/dbraw/zinc/38/41/53/1413384153.db2.gz JTZSGJIZIJOQKG-CYBMUJFWSA-N 0 1 381.745 3.391 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C)CCC1CCOCC1)N1CCCC1 ZINC000119249905 1413389170 /nfs/dbraw/zinc/38/91/70/1413389170.db2.gz IXSUPUZZPBEITC-HXUWFJFHSA-N 0 1 389.540 3.290 20 0 GGADMN COc1cc([C@@H](C)NCc2ccccc2Cn2cccn2)ccc1S(C)(=O)=O ZINC000119257925 1413391636 /nfs/dbraw/zinc/39/16/36/1413391636.db2.gz UZLSZDBIBCACMT-MRXNPFEDSA-N 0 1 399.516 3.194 20 0 GGADMN C[C@H](NCc1ccccc1Cn1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119260743 1413392241 /nfs/dbraw/zinc/39/22/41/1413392241.db2.gz ZNNLUCCZHKPTSZ-HNNXBMFYSA-N 0 1 387.480 3.325 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cccc(OCc2noc(C)n2)c1)c1ccco1 ZINC000119261985 1413392714 /nfs/dbraw/zinc/39/27/14/1413392714.db2.gz RVWNBPWVQATKEV-SFHVURJKSA-N 0 1 398.463 3.363 20 0 GGADMN Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000177408966 1428723301 /nfs/dbraw/zinc/72/33/01/1428723301.db2.gz KKOXFEBDHWSXPX-OAHLLOKOSA-N 0 1 385.493 3.012 20 0 GGADMN COc1ccc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000119267422 1413394291 /nfs/dbraw/zinc/39/42/91/1413394291.db2.gz RKUFZMHKSKJVKX-HZPDHXFCSA-N 0 1 386.467 3.374 20 0 GGADMN COc1ccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000119267256 1413394669 /nfs/dbraw/zinc/39/46/69/1413394669.db2.gz RKUFZMHKSKJVKX-HOTGVXAUSA-N 0 1 386.467 3.374 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)N(C)C)cc1 ZINC000119272132 1413395838 /nfs/dbraw/zinc/39/58/38/1413395838.db2.gz LACXTHAGEARBEF-NRFANRHFSA-N 0 1 392.503 3.396 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)NC[C@H](c3ccccc3)N3CCCC3)ccc2[nH]1 ZINC000119281524 1413398023 /nfs/dbraw/zinc/39/80/23/1413398023.db2.gz RHXZOYWVBYQNGQ-OAQYLSRUSA-N 0 1 390.487 3.368 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N3CCCC3)ccc2[nH]1 ZINC000119281352 1413398093 /nfs/dbraw/zinc/39/80/93/1413398093.db2.gz RHXZOYWVBYQNGQ-NRFANRHFSA-N 0 1 390.487 3.368 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)c1ccc(F)cc1 ZINC000119296561 1413402455 /nfs/dbraw/zinc/40/24/55/1413402455.db2.gz CXQMNPRHXCHZON-QYZOEREBSA-N 0 1 389.471 3.319 20 0 GGADMN O=C(NCCCc1nc2ccccc2[nH]1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000119298454 1413402972 /nfs/dbraw/zinc/40/29/72/1413402972.db2.gz DFLOQKKGVKOGEH-HNNXBMFYSA-N 0 1 393.495 3.080 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000119301972 1413404652 /nfs/dbraw/zinc/40/46/52/1413404652.db2.gz XQDJLXNREWHNLX-OAHLLOKOSA-N 0 1 376.428 3.303 20 0 GGADMN O=C(NCc1nnc2ccccn21)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000119308771 1413406536 /nfs/dbraw/zinc/40/65/36/1413406536.db2.gz UEHHJJZOBODNAB-KRWDZBQOSA-N 0 1 398.898 3.019 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000177414315 1428726143 /nfs/dbraw/zinc/72/61/43/1428726143.db2.gz KXHMTIWJMOQAHK-FOIQADDNSA-N 0 1 384.480 3.077 20 0 GGADMN Cc1nc(CC(C)C)c(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)s1 ZINC000119341014 1413416908 /nfs/dbraw/zinc/41/69/08/1413416908.db2.gz YVHQUBRMBONVOK-UHFFFAOYSA-N 0 1 388.518 3.438 20 0 GGADMN CCc1noc(CC)c1CC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000119369135 1413426297 /nfs/dbraw/zinc/42/62/97/1413426297.db2.gz ZXDWIZFKANZKNA-IRXDYDNUSA-N 0 1 399.535 3.268 20 0 GGADMN CC(C)C[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1 ZINC000119398366 1413434549 /nfs/dbraw/zinc/43/45/49/1413434549.db2.gz NFXQKKLCOIHRFQ-NRFANRHFSA-N 0 1 395.551 3.420 20 0 GGADMN O=C(CCC(=O)NC1CCCC1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000119414039 1413439281 /nfs/dbraw/zinc/43/92/81/1413439281.db2.gz MZTLBPZASSLFLB-IBGZPJMESA-N 0 1 391.943 3.432 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000177418765 1428728261 /nfs/dbraw/zinc/72/82/61/1428728261.db2.gz UYAONWOTKYQKAY-XGRCMKMKSA-N 0 1 380.488 3.394 20 0 GGADMN CCc1ccccc1NC(=O)CN1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000119434627 1413446175 /nfs/dbraw/zinc/44/61/75/1413446175.db2.gz VBPYYLHZRXJMRV-UHFFFAOYSA-N 0 1 376.504 3.487 20 0 GGADMN C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607175 1428728391 /nfs/dbraw/zinc/72/83/91/1428728391.db2.gz VSNSJGWWLNMHPK-AWEZNQCLSA-N 0 1 377.427 3.085 20 0 GGADMN CN(CCNC(=O)c1ncccc1OCC(F)(F)F)Cc1ccc(F)cc1 ZINC000177418316 1428728456 /nfs/dbraw/zinc/72/84/56/1428728456.db2.gz NQUCSDQKNJMHEG-UHFFFAOYSA-N 0 1 385.361 3.024 20 0 GGADMN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000119436726 1413446670 /nfs/dbraw/zinc/44/66/70/1413446670.db2.gz CUKADLCDDVEFIS-LBPRGKRZSA-N 0 1 397.397 3.094 20 0 GGADMN CCOc1cc(CCCNC(=O)c2c[nH]c3ccccc3c2=O)ccc1OC ZINC000119443530 1413448631 /nfs/dbraw/zinc/44/86/31/1413448631.db2.gz SGNPGGINOCVBNC-UHFFFAOYSA-N 0 1 380.444 3.298 20 0 GGADMN COCC(C)(C)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000119446709 1413449286 /nfs/dbraw/zinc/44/92/86/1413449286.db2.gz HDVYYFBIUKAMEU-UHFFFAOYSA-N 0 1 395.547 3.298 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000119446510 1413449371 /nfs/dbraw/zinc/44/93/71/1413449371.db2.gz SMTLOKJKQRYCCT-KBXCAEBGSA-N 0 1 386.471 3.194 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000119446896 1413449426 /nfs/dbraw/zinc/44/94/26/1413449426.db2.gz SMTLOKJKQRYCCT-KDOFPFPSSA-N 0 1 386.471 3.194 20 0 GGADMN CNC(=O)c1cccc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1C ZINC000119455860 1413452800 /nfs/dbraw/zinc/45/28/00/1413452800.db2.gz OCUCBZMYWQWBFF-UHFFFAOYSA-N 0 1 378.432 3.314 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2NCc2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000119457965 1413453738 /nfs/dbraw/zinc/45/37/38/1413453738.db2.gz KELYOIMLYWKZEU-HDICACEKSA-N 0 1 377.492 3.489 20 0 GGADMN C[C@H]1C[C@@H](N(C)CC(=O)[N-]OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000119460486 1413454598 /nfs/dbraw/zinc/45/45/98/1413454598.db2.gz RWXQKGAILQMJEN-UGKGYDQZSA-N 0 1 381.520 3.219 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000177410724 1428724242 /nfs/dbraw/zinc/72/42/42/1428724242.db2.gz CTYKRDWKOAEUJY-LAUBAEHRSA-N 0 1 380.488 3.322 20 0 GGADMN COC[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000119492596 1413465351 /nfs/dbraw/zinc/46/53/51/1413465351.db2.gz UHHFZCNSTVYEDB-IBGZPJMESA-N 0 1 379.932 3.276 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](Cn2ccnn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000119495210 1413465468 /nfs/dbraw/zinc/46/54/68/1413465468.db2.gz UHNYHLVTOKPMLJ-KBPBESRZSA-N 0 1 396.322 3.174 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C[C@@H](C)O1 ZINC000119522914 1413474643 /nfs/dbraw/zinc/47/46/43/1413474643.db2.gz IZIHJEQUQDPEGX-QZTJIDSGSA-N 0 1 396.535 3.044 20 0 GGADMN O=C(c1ccc(S(=O)(=O)Nc2cccc3ncccc32)cc1F)N1CCCC1 ZINC000119523008 1413474766 /nfs/dbraw/zinc/47/47/66/1413474766.db2.gz JUGDJJZOTLMTHA-UHFFFAOYSA-N 0 1 399.447 3.411 20 0 GGADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCSCc1ccccn1 ZINC000119542413 1413480942 /nfs/dbraw/zinc/48/09/42/1413480942.db2.gz HLXIXNWJUQNIRV-IBGZPJMESA-N 0 1 398.576 3.032 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1C1CC1 ZINC000119544070 1413481583 /nfs/dbraw/zinc/48/15/83/1413481583.db2.gz RBUPJIOSOUTNFX-HNNXBMFYSA-N 0 1 382.512 3.131 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)n1 ZINC000119546614 1413482114 /nfs/dbraw/zinc/48/21/14/1413482114.db2.gz KWHULGOPUCKRIX-UHFFFAOYSA-N 0 1 397.460 3.451 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000119547560 1413482176 /nfs/dbraw/zinc/48/21/76/1413482176.db2.gz CRUIISOIZZPSBV-VGSWGCGISA-N 0 1 387.483 3.496 20 0 GGADMN O=C(CCn1ccc2cc(Cl)ccc21)N1CCN(C2CCOCC2)CC1 ZINC000119554066 1413484045 /nfs/dbraw/zinc/48/40/45/1413484045.db2.gz WQEISIRFWANDOX-UHFFFAOYSA-N 0 1 375.900 3.008 20 0 GGADMN Cc1ncsc1CNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119565708 1413487752 /nfs/dbraw/zinc/48/77/52/1413487752.db2.gz QLQOLDANSLHAOY-CYBMUJFWSA-N 0 1 396.398 3.177 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000119579193 1413491923 /nfs/dbraw/zinc/49/19/23/1413491923.db2.gz JYKIOVOMSUCQGY-GDBMZVCRSA-N 0 1 394.450 3.227 20 0 GGADMN O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000119580527 1413492462 /nfs/dbraw/zinc/49/24/62/1413492462.db2.gz MPEMGXCJYKSLOV-QFIPXVFZSA-N 0 1 379.504 3.251 20 0 GGADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000119583689 1413493817 /nfs/dbraw/zinc/49/38/17/1413493817.db2.gz YGNRKHVWTQBYOW-KRWDZBQOSA-N 0 1 394.494 3.176 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000119613953 1413504086 /nfs/dbraw/zinc/50/40/86/1413504086.db2.gz HRMMADWGKJDZGM-UHFFFAOYSA-N 0 1 398.488 3.399 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCC2CCOCC2)N2CCCC2)c1 ZINC000119615830 1413504777 /nfs/dbraw/zinc/50/47/77/1413504777.db2.gz DAPDSYPNVIERHH-OAQYLSRUSA-N 0 1 389.540 3.290 20 0 GGADMN CS(=O)(=O)c1ccc(OCCCN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000119630411 1413509167 /nfs/dbraw/zinc/50/91/67/1413509167.db2.gz LKYRITQNUKZZEB-UHFFFAOYSA-N 0 1 389.517 3.444 20 0 GGADMN CCCN(CCC(=O)NC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C ZINC000119651338 1413516033 /nfs/dbraw/zinc/51/60/33/1413516033.db2.gz VCHXEKACGVENRB-UHFFFAOYSA-N 0 1 396.491 3.384 20 0 GGADMN C[C@H](c1cccs1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000119656569 1413517785 /nfs/dbraw/zinc/51/77/85/1413517785.db2.gz UCIRRNPLTVMCPM-CYBMUJFWSA-N 0 1 394.518 3.071 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2OC)cc1OC ZINC000119661291 1413520244 /nfs/dbraw/zinc/52/02/44/1413520244.db2.gz ASZOZRDHQOJECW-HZPDHXFCSA-N 0 1 386.492 3.458 20 0 GGADMN COC(=O)c1ccc([C@@H](C)N2CCC(C(=O)NCCc3cccs3)CC2)o1 ZINC000119665024 1413521776 /nfs/dbraw/zinc/52/17/76/1413521776.db2.gz SMJVHKHDGCTYGB-CQSZACIVSA-N 0 1 390.505 3.260 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cnn(CCC(C)C)c2C)CCN1CCOC ZINC000119668986 1413523720 /nfs/dbraw/zinc/52/37/20/1413523720.db2.gz PSYXMUTZBKHLKY-SFHVURJKSA-N 0 1 379.549 3.202 20 0 GGADMN C[C@H](NCC(=O)N(CCC(N)=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000119667905 1413523909 /nfs/dbraw/zinc/52/39/09/1413523909.db2.gz JPHQUDBTGWXVSB-ZDUSSCGKSA-N 0 1 377.847 3.038 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000119681402 1413529335 /nfs/dbraw/zinc/52/93/35/1413529335.db2.gz ZPUWSCOVDNREKE-ZIAGYGMSSA-N 0 1 385.464 3.094 20 0 GGADMN COc1ccc(NC(=O)[C@H](NCC(C)(C)N2CCOCC2)c2ccccc2)cc1 ZINC000119695904 1413535057 /nfs/dbraw/zinc/53/50/57/1413535057.db2.gz NOTXRRRTMIXZJC-OAQYLSRUSA-N 0 1 397.519 3.075 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119700155 1413537362 /nfs/dbraw/zinc/53/73/62/1413537362.db2.gz PCYRMEMIPYWDNX-ULQDDVLXSA-N 0 1 388.533 3.315 20 0 GGADMN O=C(c1ccc(OCC(F)F)nc1)N1CCCN(Cc2ccccc2)CC1 ZINC000119704730 1413538635 /nfs/dbraw/zinc/53/86/35/1413538635.db2.gz WFTGPQGECLPBGX-UHFFFAOYSA-N 0 1 375.419 3.074 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)c1cccs1 ZINC000119725145 1413545622 /nfs/dbraw/zinc/54/56/22/1413545622.db2.gz FSVZLDQUHQCCQX-OAHLLOKOSA-N 0 1 387.534 3.191 20 0 GGADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000119744461 1413552309 /nfs/dbraw/zinc/55/23/09/1413552309.db2.gz BZEPABPVVIYDCO-LLVKDONJSA-N 0 1 380.370 3.180 20 0 GGADMN CN(C)C1(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)CCC1 ZINC000119744999 1413552335 /nfs/dbraw/zinc/55/23/35/1413552335.db2.gz ZTEKOXAPDSBJIE-UHFFFAOYSA-N 0 1 377.488 3.241 20 0 GGADMN Cc1cc(C)n2nc(CC(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)nc2n1 ZINC000119746568 1413553221 /nfs/dbraw/zinc/55/32/21/1413553221.db2.gz WOCCMKNJLUIULP-UHFFFAOYSA-N 0 1 375.436 3.066 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000119748996 1413553975 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0 GGADMN C[C@@H](c1ccco1)N(C(=O)NCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000121304916 1414078414 /nfs/dbraw/zinc/07/84/14/1414078414.db2.gz IRAOWQISNPMGPK-IBGZPJMESA-N 0 1 396.535 3.332 20 0 GGADMN O=S(=O)(c1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)o1)N1CCCC1 ZINC000121307524 1414079196 /nfs/dbraw/zinc/07/91/96/1414079196.db2.gz DJQHJVRIZRRVHZ-QGZVFWFLSA-N 0 1 392.496 3.268 20 0 GGADMN Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000121315342 1414080802 /nfs/dbraw/zinc/08/08/02/1414080802.db2.gz OPVPZLUAYHSNGN-CYBMUJFWSA-N 0 1 382.432 3.281 20 0 GGADMN Cc1cc(NC(=O)c2nnc3ccccc3c2O)ccc1OCC(F)(F)F ZINC000121314403 1414080853 /nfs/dbraw/zinc/08/08/53/1414080853.db2.gz BAHWQNYGSMUCQI-UHFFFAOYSA-N 0 1 377.322 3.425 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCSC(C)(C)C2)c(OC)c1 ZINC000177520366 1428780067 /nfs/dbraw/zinc/78/00/67/1428780067.db2.gz AVHSYYLRNGPIEC-QGZVFWFLSA-N 0 1 378.538 3.195 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)CN2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000121350648 1414091367 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0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000121411442 1414112975 /nfs/dbraw/zinc/11/29/75/1414112975.db2.gz WPBQTXLVXIUTMK-LIVBEALHSA-N 0 1 377.481 3.141 20 0 GGADMN CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cc1 ZINC000121420412 1414115627 /nfs/dbraw/zinc/11/56/27/1414115627.db2.gz PJKSGXNQXUUIHP-UHFFFAOYSA-N 0 1 390.436 3.065 20 0 GGADMN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)C1 ZINC000121431644 1414120101 /nfs/dbraw/zinc/12/01/01/1414120101.db2.gz SZUWZOVDKRCYHD-HNNXBMFYSA-N 0 1 399.457 3.493 20 0 GGADMN COC(=O)C1CCN(C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000121445715 1414125080 /nfs/dbraw/zinc/12/50/80/1414125080.db2.gz JYVQDGJNCPGNAX-INIZCTEOSA-N 0 1 383.916 3.397 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000121446308 1414125777 /nfs/dbraw/zinc/12/57/77/1414125777.db2.gz GZMBZCUCHMPMQB-IPYPFGDCSA-N 0 1 382.439 3.200 20 0 GGADMN O=C(NC1CC1)[C@H]1CCCN1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000121453501 1414130198 /nfs/dbraw/zinc/13/01/98/1414130198.db2.gz NIHVBXBOAXIYRF-MRXNPFEDSA-N 0 1 378.398 3.134 20 0 GGADMN Cc1cc(C(=O)CSc2n[nH]c(CCC3CCCC3)n2)c(C)n1-c1nc[nH]n1 ZINC000121458627 1414133340 /nfs/dbraw/zinc/13/33/40/1414133340.db2.gz SYQGUMLHVOCERL-UHFFFAOYSA-N 0 1 399.524 3.428 20 0 GGADMN Cc1cc(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)c(C)n1-c1nc[nH]n1 ZINC000121458627 1414133344 /nfs/dbraw/zinc/13/33/44/1414133344.db2.gz SYQGUMLHVOCERL-UHFFFAOYSA-N 0 1 399.524 3.428 20 0 GGADMN CN(CCOc1ccc(F)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000121478746 1414142763 /nfs/dbraw/zinc/14/27/63/1414142763.db2.gz KGYRELIZCXKMEP-UHFFFAOYSA-N 0 1 386.467 3.338 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCCNc3ccccc3)n2)cc1 ZINC000121482853 1414143439 /nfs/dbraw/zinc/14/34/39/1414143439.db2.gz IAWIUVDZFDVFPU-UHFFFAOYSA-N 0 1 381.505 3.491 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000121495308 1414149220 /nfs/dbraw/zinc/14/92/20/1414149220.db2.gz FHXDHIVFPLNZSJ-INIZCTEOSA-N 0 1 391.479 3.009 20 0 GGADMN CN(C)C(=O)COc1ccccc1CN(C)CCOc1cccc(Cl)c1 ZINC000121494622 1414149444 /nfs/dbraw/zinc/14/94/44/1414149444.db2.gz OWAPEZQUPAKTBT-UHFFFAOYSA-N 0 1 376.884 3.318 20 0 GGADMN CCOc1cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc(Cl)c1OC ZINC000121524357 1414162357 /nfs/dbraw/zinc/16/23/57/1414162357.db2.gz TVKLIGIQFCYZNX-CYBMUJFWSA-N 0 1 394.821 3.390 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NCC(=O)Nc1ccccc1N1CCCC1=O ZINC000121529293 1414164123 /nfs/dbraw/zinc/16/41/23/1414164123.db2.gz VUPGLXHJNRTIJN-MRXNPFEDSA-N 0 1 381.476 3.420 20 0 GGADMN CC(C)c1nn(-c2ccccc2)cc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000121538884 1414167684 /nfs/dbraw/zinc/16/76/84/1414167684.db2.gz MBBKYLWOOMZEOI-UHFFFAOYSA-N 0 1 392.551 3.437 20 0 GGADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cnc(-c2ncccn2)s1 ZINC000121545403 1414170793 /nfs/dbraw/zinc/17/07/93/1414170793.db2.gz GUPLVPISGZAUQK-WBVHZDCISA-N 0 1 391.500 3.357 20 0 GGADMN Cc1cc(CC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[nH]n1 ZINC000121550032 1414172415 /nfs/dbraw/zinc/17/24/15/1414172415.db2.gz IRDIISRTAIXGIN-LJQANCHMSA-N 0 1 377.423 3.307 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000121567501 1414181225 /nfs/dbraw/zinc/18/12/25/1414181225.db2.gz IKMNILSBBKVPIR-AVRDEDQJSA-N 0 1 399.510 3.008 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NCc3ccc4ccccc4c3)cc2[nH]c1=S ZINC000121581312 1414186229 /nfs/dbraw/zinc/18/62/29/1414186229.db2.gz IXDDEKQAEYISRN-UHFFFAOYSA-N 0 1 375.453 3.305 20 0 GGADMN O=C(Nc1nc(Br)ccc1O)c1ccc(Br)c(O)c1 ZINC000121584730 1414187279 /nfs/dbraw/zinc/18/72/79/1414187279.db2.gz JNKYHUMQGASNRZ-UHFFFAOYSA-N 0 1 388.015 3.270 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000177545658 1428787530 /nfs/dbraw/zinc/78/75/30/1428787530.db2.gz JCKNZYLNROEUOV-QFBILLFUSA-N 0 1 377.488 3.395 20 0 GGADMN Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822242831 1428787701 /nfs/dbraw/zinc/78/77/01/1428787701.db2.gz ZEDSTRGLNGCTQS-ZDUSSCGKSA-N 0 1 384.871 3.335 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000177544966 1428787732 /nfs/dbraw/zinc/78/77/32/1428787732.db2.gz HBEKBZYDNSZQDO-HIFRSBDPSA-N 0 1 383.517 3.152 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000177545675 1428787885 /nfs/dbraw/zinc/78/78/85/1428787885.db2.gz JCKNZYLNROEUOV-APWZRJJASA-N 0 1 377.488 3.395 20 0 GGADMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000121595830 1414193295 /nfs/dbraw/zinc/19/32/95/1414193295.db2.gz KWXMOWQGBHKLOR-UHFFFAOYSA-N 0 1 376.478 3.153 20 0 GGADMN C[C@]1(CO)CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000121606915 1414197620 /nfs/dbraw/zinc/19/76/20/1414197620.db2.gz MQVHYAGWJVKIPV-ICSRJNTNSA-N 0 1 379.932 3.281 20 0 GGADMN Cc1nc2ccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2o1 ZINC000121611163 1414200014 /nfs/dbraw/zinc/20/00/14/1414200014.db2.gz YMDQCEQRMSMCOA-IBGZPJMESA-N 0 1 392.459 3.028 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2ncccc2c1 ZINC000121611330 1414200239 /nfs/dbraw/zinc/20/02/39/1414200239.db2.gz NRQKKBHJOROXGO-NRFANRHFSA-N 0 1 388.471 3.127 20 0 GGADMN C[N@@H+]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000826030016 1428788526 /nfs/dbraw/zinc/78/85/26/1428788526.db2.gz ZPSCIHSPAQPXGF-GJZGRUSLSA-N 0 1 390.278 3.426 20 0 GGADMN C[N@H+]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000826030016 1428788531 /nfs/dbraw/zinc/78/85/31/1428788531.db2.gz ZPSCIHSPAQPXGF-GJZGRUSLSA-N 0 1 390.278 3.426 20 0 GGADMN CCCN1CCCC[C@@H]1C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 ZINC000121621706 1414203684 /nfs/dbraw/zinc/20/36/84/1414203684.db2.gz WXEYORKDWFZLIP-QFBILLFUSA-N 0 1 395.569 3.108 20 0 GGADMN O=C(Nc1cc(F)ccc1OC(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000121627556 1414205576 /nfs/dbraw/zinc/20/55/76/1414205576.db2.gz LKWAPFGDHCGRNQ-CYBMUJFWSA-N 0 1 387.402 3.003 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)N3CCN(CC4CC4)CC3)s2)cs1 ZINC000121632439 1414206923 /nfs/dbraw/zinc/20/69/23/1414206923.db2.gz SCUALYVYZAUPAH-UHFFFAOYSA-N 0 1 390.578 3.460 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1CC[C@@H](c3ccccc3)[C@@H]1C)[nH]c2=O ZINC000177549623 1428789158 /nfs/dbraw/zinc/78/91/58/1428789158.db2.gz JNWLABIFADQAEK-WMLDXEAASA-N 0 1 377.444 3.088 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCSC2)N2CCCCC2)cc1 ZINC000121663016 1414216016 /nfs/dbraw/zinc/21/60/16/1414216016.db2.gz SFUPLLNFTQWBMX-MJGOQNOKSA-N 0 1 377.554 3.369 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCSC2)N2CCCCC2)cc1 ZINC000121663331 1414216162 /nfs/dbraw/zinc/21/61/62/1414216162.db2.gz SFUPLLNFTQWBMX-IEBWSBKVSA-N 0 1 377.554 3.369 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CCN1CCOC ZINC000121667839 1414217330 /nfs/dbraw/zinc/21/73/30/1414217330.db2.gz LMWCAUGSMGULKP-HXUWFJFHSA-N 0 1 375.557 3.355 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000121683885 1414222608 /nfs/dbraw/zinc/22/26/08/1414222608.db2.gz PUCFGNRCXJJJJI-LEWJYISDSA-N 0 1 385.552 3.196 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000121701905 1414229677 /nfs/dbraw/zinc/22/96/77/1414229677.db2.gz OLACBQNGTPBVKL-UHFFFAOYSA-N 0 1 386.496 3.139 20 0 GGADMN CC(C)Oc1cccc(CN(C)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000121708628 1414231360 /nfs/dbraw/zinc/23/13/60/1414231360.db2.gz HIWNYKIIDUEOQK-ROUUACIJSA-N 0 1 377.529 3.115 20 0 GGADMN CCC[C@H]1CN(CC(=O)Nc2cc(C)c(Cl)cc2OC)CCN1CCOC ZINC000121719488 1414235237 /nfs/dbraw/zinc/23/52/37/1414235237.db2.gz GPWAZHONVOTDAJ-INIZCTEOSA-N 0 1 397.947 3.028 20 0 GGADMN CCC[C@H]1CN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCN1CCOC ZINC000121732416 1414239708 /nfs/dbraw/zinc/23/97/08/1414239708.db2.gz PSGUILQYYNVING-QFBILLFUSA-N 0 1 397.922 3.017 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)C[C@@H]1C ZINC000121740787 1414242833 /nfs/dbraw/zinc/24/28/33/1414242833.db2.gz QKKJFZFFJBMNRO-CALCHBBNSA-N 0 1 387.549 3.229 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000177556675 1428791968 /nfs/dbraw/zinc/79/19/68/1428791968.db2.gz VHCPSESWIDAOML-IHPCNDPISA-N 0 1 385.508 3.270 20 0 GGADMN C[C@@H](O)C[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000177556712 1428791990 /nfs/dbraw/zinc/79/19/90/1428791990.db2.gz VHCPSESWIDAOML-RLLQIKCJSA-N 0 1 385.508 3.270 20 0 GGADMN CCn1nccc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121747196 1414244754 /nfs/dbraw/zinc/24/47/54/1414244754.db2.gz CTUZEFSANQFKIV-CYBMUJFWSA-N 0 1 378.402 3.344 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCCCC3)cn2)CC1 ZINC000121757724 1414248056 /nfs/dbraw/zinc/24/80/56/1414248056.db2.gz JSZAPYSTGFGGBO-HXUWFJFHSA-N 0 1 385.556 3.088 20 0 GGADMN COCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000121762351 1414248780 /nfs/dbraw/zinc/24/87/80/1414248780.db2.gz MOJMBKDUAXDROB-UHFFFAOYSA-N 0 1 392.452 3.009 20 0 GGADMN C[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820721715 1428792346 /nfs/dbraw/zinc/79/23/46/1428792346.db2.gz AASVUHPQMPUPRH-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC[N@@H+]1Cc1ccccc1 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CC(C)[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1Cl)N1CCN(C)CC1 ZINC000121823468 1414269295 /nfs/dbraw/zinc/26/92/95/1414269295.db2.gz HCQQPUWCATWMFN-PMACEKPBSA-N 0 1 392.975 3.459 20 0 GGADMN COC1CCN(CCNC(=O)c2cc3ccccc3cc2OC(F)F)CC1 ZINC000121823880 1414270096 /nfs/dbraw/zinc/27/00/96/1414270096.db2.gz DLXXJNFPLOLYDF-UHFFFAOYSA-N 0 1 378.419 3.282 20 0 GGADMN CCC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(SC)c2)CCN1CCOC ZINC000121833707 1414273201 /nfs/dbraw/zinc/27/32/01/1414273201.db2.gz CFKORHSMYZKZBE-WMZOPIPTSA-N 0 1 379.570 3.168 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1F ZINC000121840437 1414275088 /nfs/dbraw/zinc/27/50/88/1414275088.db2.gz OBKJTUBNRQOQDU-UHFFFAOYSA-N 0 1 392.478 3.492 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1F ZINC000121847373 1414277109 /nfs/dbraw/zinc/27/71/09/1414277109.db2.gz RMLUSGONRQMXDI-QFIPXVFZSA-N 0 1 397.494 3.257 20 0 GGADMN COc1cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)ccc1OC(F)F ZINC000121852905 1414278901 /nfs/dbraw/zinc/27/89/01/1414278901.db2.gz GGQIQPABCGXJTN-UHFFFAOYSA-N 0 1 382.382 3.427 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1F ZINC000121863704 1414282904 /nfs/dbraw/zinc/28/29/04/1414282904.db2.gz XZHDPQIIPKWATK-MSOLQXFVSA-N 0 1 384.451 3.078 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1F ZINC000121863551 1414282994 /nfs/dbraw/zinc/28/29/94/1414282994.db2.gz XZHDPQIIPKWATK-QZTJIDSGSA-N 0 1 384.451 3.078 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1F ZINC000121863974 1414283074 /nfs/dbraw/zinc/28/30/74/1414283074.db2.gz XZHDPQIIPKWATK-ROUUACIJSA-N 0 1 384.451 3.078 20 0 GGADMN COc1cc(Cl)c(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1OC ZINC000121874450 1414286456 /nfs/dbraw/zinc/28/64/56/1414286456.db2.gz JINLDHHEHPOOFM-UHFFFAOYSA-N 0 1 380.847 3.488 20 0 GGADMN C[C@@H](OCCCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000121874700 1414286943 /nfs/dbraw/zinc/28/69/43/1414286943.db2.gz UXCQVSBERFMFMT-OAHLLOKOSA-N 0 1 397.500 3.343 20 0 GGADMN O=C1[C@H](N2CCC(c3c[nH]c4ncccc34)CC2)CCCN1CC(F)(F)F ZINC000121874861 1414286957 /nfs/dbraw/zinc/28/69/57/1414286957.db2.gz CKUQMOJBVLPGKH-MRXNPFEDSA-N 0 1 380.414 3.296 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCN1CCOC ZINC000121888340 1414292044 /nfs/dbraw/zinc/29/20/44/1414292044.db2.gz VULQTNOZSCYUNE-ABSDTBQOSA-N 0 1 395.975 3.338 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000177564681 1428795993 /nfs/dbraw/zinc/79/59/93/1428795993.db2.gz RTHJPXOJDGQLRH-OAHLLOKOSA-N 0 1 376.451 3.256 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(-n2ccnn2)cc1 ZINC000121892963 1414294963 /nfs/dbraw/zinc/29/49/63/1414294963.db2.gz JVVIZQNTBPAXIM-UHFFFAOYSA-N 0 1 379.489 3.068 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000121896606 1414296942 /nfs/dbraw/zinc/29/69/42/1414296942.db2.gz BSAXPMWNDDNLDW-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CCC[C@](C)(O)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000121901067 1414299464 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C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000121961684 1414324295 /nfs/dbraw/zinc/32/42/95/1414324295.db2.gz AGAAVXKQFNSWRP-MJGOQNOKSA-N 0 1 376.522 3.259 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCN1CCOC ZINC000121962009 1414324504 /nfs/dbraw/zinc/32/45/04/1414324504.db2.gz DAGAQEQQMXAVEZ-PXNSSMCTSA-N 0 1 395.613 3.384 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1F ZINC000121962820 1414324856 /nfs/dbraw/zinc/32/48/56/1414324856.db2.gz XTCKGTRYDOLNLI-UHFFFAOYSA-N 0 1 384.430 3.071 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1cnc(-c2ccccc2)nc1 ZINC000121969675 1414326699 /nfs/dbraw/zinc/32/66/99/1414326699.db2.gz KFSNASAJIMLYRC-UHFFFAOYSA-N 0 1 389.440 3.155 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2ncccc2OCC(F)(F)F)cc1F ZINC000121970884 1414327498 /nfs/dbraw/zinc/32/74/98/1414327498.db2.gz BALNLADARKGINT-UHFFFAOYSA-N 0 1 385.361 3.153 20 0 GGADMN Cc1cc(NC(=O)CN2CCN([C@H](C)CCSc3ccccc3)CC2)no1 ZINC000121982184 1414330985 /nfs/dbraw/zinc/33/09/85/1414330985.db2.gz TXWTVTLJGYHOQS-MRXNPFEDSA-N 0 1 388.537 3.110 20 0 GGADMN CCC[C@H]1CN(CC(=O)N2CCc3sccc3[C@@H]2CC)CCN1CCOC ZINC000121983462 1414331085 /nfs/dbraw/zinc/33/10/85/1414331085.db2.gz BWAOLYCQWIOOTL-HKUYNNGSSA-N 0 1 393.597 3.017 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nnc(-c4ccco4)o3)n2)cc1 ZINC000121983928 1414332044 /nfs/dbraw/zinc/33/20/44/1414332044.db2.gz UVLBPRSDOBNJAW-UHFFFAOYSA-N 0 1 382.405 3.154 20 0 GGADMN COc1cccc(COCCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000121990911 1414333430 /nfs/dbraw/zinc/33/34/30/1414333430.db2.gz MMIWJBAEVBGOCR-UHFFFAOYSA-N 0 1 397.519 3.129 20 0 GGADMN CCOCCC1(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCC1 ZINC000121992429 1414334061 /nfs/dbraw/zinc/33/40/61/1414334061.db2.gz JQZMDEGRUIVGFE-KRWDZBQOSA-N 0 1 391.531 3.352 20 0 GGADMN CCOCCC1(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCC1 ZINC000121992609 1414334182 /nfs/dbraw/zinc/33/41/82/1414334182.db2.gz JQZMDEGRUIVGFE-QGZVFWFLSA-N 0 1 391.531 3.352 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2c(OC)cccc2OC)N2CCCC2)cc1 ZINC000121995988 1414334491 /nfs/dbraw/zinc/33/44/91/1414334491.db2.gz RIFBPOFIVQMMDL-SFHVURJKSA-N 0 1 384.476 3.279 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000122007350 1414338672 /nfs/dbraw/zinc/33/86/72/1414338672.db2.gz FAHXIPVQOYXTQT-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000122019603 1414341257 /nfs/dbraw/zinc/34/12/57/1414341257.db2.gz BVNNTTIRSGLOCB-UHFFFAOYSA-N 0 1 397.523 3.433 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1F ZINC000122027566 1414343376 /nfs/dbraw/zinc/34/33/76/1414343376.db2.gz DCFZUPXMOXYXGO-UHFFFAOYSA-N 0 1 395.434 3.407 20 0 GGADMN Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000122037445 1414345715 /nfs/dbraw/zinc/34/57/15/1414345715.db2.gz SZUKVXJBQYWKHI-GOSISDBHSA-N 0 1 381.524 3.044 20 0 GGADMN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)o1 ZINC000122046123 1414348496 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CCCCN(CC(F)(F)F)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000122088616 1414360023 /nfs/dbraw/zinc/36/00/23/1414360023.db2.gz LVGDQPYJSSWLBF-UHFFFAOYSA-N 0 1 387.427 3.266 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000122095800 1414361740 /nfs/dbraw/zinc/36/17/40/1414361740.db2.gz KCCPVMSDYBHABF-NRFANRHFSA-N 0 1 380.488 3.304 20 0 GGADMN C[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H]1CCCc2ccccc21 ZINC000821617885 1428806257 /nfs/dbraw/zinc/80/62/57/1428806257.db2.gz GWESKLNTGIHKIE-SFHVURJKSA-N 0 1 387.447 3.426 20 0 GGADMN C[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H]1CCCc2ccccc21 ZINC000821617885 1428806262 /nfs/dbraw/zinc/80/62/62/1428806262.db2.gz GWESKLNTGIHKIE-SFHVURJKSA-N 0 1 387.447 3.426 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000122146378 1414373714 /nfs/dbraw/zinc/37/37/14/1414373714.db2.gz QEOTVAAYGGYQLV-GOSISDBHSA-N 0 1 387.549 3.270 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177582871 1428802922 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20 0 GGADMN Cn1cc(CCC(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000122173077 1414380136 /nfs/dbraw/zinc/38/01/36/1414380136.db2.gz OHHGTQHXWCDTDL-UHFFFAOYSA-N 0 1 376.504 3.287 20 0 GGADMN O=C(NCc1ccn2ccnc2c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000177585199 1428803477 /nfs/dbraw/zinc/80/34/77/1428803477.db2.gz OVIKNYQIFBXABJ-UHFFFAOYSA-N 0 1 397.910 3.452 20 0 GGADMN O=C1[C@H](N2CCC(OC[C@@H]3CCCCO3)CC2)CCCN1c1cccc(F)c1 ZINC000177585384 1428803496 /nfs/dbraw/zinc/80/34/96/1428803496.db2.gz YBIFESLYQUPIQE-LEWJYISDSA-N 0 1 390.499 3.371 20 0 GGADMN CCN1C(=O)CN(CN(C)CCCCCc2cc(-c3ccccc3)no2)C1=O ZINC000122193078 1414385104 /nfs/dbraw/zinc/38/51/04/1414385104.db2.gz RQWZGPSWLHEHCQ-UHFFFAOYSA-N 0 1 384.480 3.228 20 0 GGADMN CCOc1cccc2c1OCC(C(=O)NCc1ccc(CN(C)C)c(F)c1)=C2 ZINC000122196526 1414385693 /nfs/dbraw/zinc/38/56/93/1414385693.db2.gz DXKDEEIIPISCJJ-UHFFFAOYSA-N 0 1 384.451 3.378 20 0 GGADMN CCOC(=O)[C@H](C)/N=C\c1cc(Br)cc(Br)c1O ZINC000122200056 1414386606 /nfs/dbraw/zinc/38/66/06/1414386606.db2.gz WRGWWKCSGWKDGJ-VQIYEXGWSA-N 0 1 379.048 3.288 20 0 GGADMN C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000122220183 1414392854 /nfs/dbraw/zinc/39/28/54/1414392854.db2.gz TXQHWFJQOZUWTP-DLBZAZTESA-N 0 1 386.517 3.326 20 0 GGADMN CC(C)CCn1ccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000122223787 1414393443 /nfs/dbraw/zinc/39/34/43/1414393443.db2.gz NQVOAYIDLHWIHN-UHFFFAOYSA-N 0 1 391.560 3.286 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000122222703 1414393482 /nfs/dbraw/zinc/39/34/82/1414393482.db2.gz ABBXBAATQGBCEJ-DLBZAZTESA-N 0 1 396.553 3.228 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000122222881 1414393584 /nfs/dbraw/zinc/39/35/84/1414393584.db2.gz ABBXBAATQGBCEJ-IAGOWNOFSA-N 0 1 396.553 3.228 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc(F)c1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122235850 1414396681 /nfs/dbraw/zinc/39/66/81/1414396681.db2.gz CIVLZPUDFGZVFX-MRXNPFEDSA-N 0 1 387.430 3.026 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(C)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122259523 1414403961 /nfs/dbraw/zinc/40/39/61/1414403961.db2.gz FWTQPHITVWTKCK-IBGZPJMESA-N 0 1 383.467 3.196 20 0 GGADMN Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000122264529 1414405299 /nfs/dbraw/zinc/40/52/99/1414405299.db2.gz AJRCGBQUNKBCOQ-DVECYGJZSA-N 0 1 380.532 3.488 20 0 GGADMN CCN(C(=O)C(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122264487 1414405556 /nfs/dbraw/zinc/40/55/56/1414405556.db2.gz ZUDVCOPBSDYCQL-GOSISDBHSA-N 0 1 390.487 3.229 20 0 GGADMN O=C(c1cccnc1-n1cccn1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000122264975 1414406127 /nfs/dbraw/zinc/40/61/27/1414406127.db2.gz UWTNZVIQQLYEMM-UHFFFAOYSA-N 0 1 397.482 3.379 20 0 GGADMN COc1ccccc1[C@H]1CCN(C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000122273650 1414408096 /nfs/dbraw/zinc/40/80/96/1414408096.db2.gz XLGYOJKLYDGDMD-FQEVSTJZSA-N 0 1 379.504 3.252 20 0 GGADMN FC(F)(F)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822723479 1428805727 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CCN(C(=O)C(=O)Nc1cc(F)ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000122310715 1414420811 /nfs/dbraw/zinc/42/08/11/1414420811.db2.gz LKNSOPFQGFWZSZ-QGZVFWFLSA-N 0 1 387.430 3.026 20 0 GGADMN O=C(CN1CCC(OC[C@@H]2CCCCO2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000177597965 1428806892 /nfs/dbraw/zinc/80/68/92/1428806892.db2.gz UIVAUNWXYDZXMH-JBACZVJFSA-N 0 1 378.557 3.218 20 0 GGADMN CC(C)[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000122316537 1414421886 /nfs/dbraw/zinc/42/18/86/1414421886.db2.gz IFSGKKUGPTYTSH-WFASDCNBSA-N 0 1 378.473 3.023 20 0 GGADMN CN1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)CC1 ZINC000122319394 1414422419 /nfs/dbraw/zinc/42/24/19/1414422419.db2.gz FYVGLOONBSIRIQ-INIZCTEOSA-N 0 1 381.904 3.070 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(NC(C)=O)ccc3Cl)n2)cc1 ZINC000122326505 1414424512 /nfs/dbraw/zinc/42/45/12/1414424512.db2.gz KYWQHCHYGVTLEC-UHFFFAOYSA-N 0 1 399.838 3.022 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cc(NC(C)=O)ccc3Cl)n[nH]2)cc1 ZINC000122326505 1414424515 /nfs/dbraw/zinc/42/45/15/1414424515.db2.gz KYWQHCHYGVTLEC-UHFFFAOYSA-N 0 1 399.838 3.022 20 0 GGADMN COc1ccc(F)cc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000122324887 1414424667 /nfs/dbraw/zinc/42/46/67/1414424667.db2.gz XOZOHMBTAXDWIX-UHFFFAOYSA-N 0 1 379.476 3.191 20 0 GGADMN C[C@@H](CNC(=O)NCC1([C@@H](O)c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000122346524 1414430421 /nfs/dbraw/zinc/43/04/21/1414430421.db2.gz OMRRUJSNDZYCRF-AVRDEDQJSA-N 0 1 393.531 3.246 20 0 GGADMN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000122348354 1414431028 /nfs/dbraw/zinc/43/10/28/1414431028.db2.gz YBNDLJPRTQGNHO-GPMSIDNRSA-N 0 1 387.549 3.306 20 0 GGADMN CCC[C@](C)(CO)NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000122360187 1414434384 /nfs/dbraw/zinc/43/43/84/1414434384.db2.gz SLNQKXWJZLENJW-SJLPKXTDSA-N 0 1 387.446 3.130 20 0 GGADMN CCCCn1ncc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1C ZINC000122364241 1414435215 /nfs/dbraw/zinc/43/52/15/1414435215.db2.gz IZODAIDUILPBNH-UHFFFAOYSA-N 0 1 383.540 3.451 20 0 GGADMN O=C(NC[C@H](O)c1ccco1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000122378325 1414440417 /nfs/dbraw/zinc/44/04/17/1414440417.db2.gz NTVCFOITBJQCLV-SJORKVTESA-N 0 1 377.872 3.103 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000122383051 1414441006 /nfs/dbraw/zinc/44/10/06/1414441006.db2.gz YAGIEDRJTPHOIP-INIZCTEOSA-N 0 1 393.940 3.161 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc3nccnc3c2)N2CCCC2)cc1 ZINC000122381387 1414441208 /nfs/dbraw/zinc/44/12/08/1414441208.db2.gz MXWGFNYVAFSSEZ-OAQYLSRUSA-N 0 1 376.460 3.205 20 0 GGADMN Cc1nccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)c1Cl ZINC000122388420 1414443199 /nfs/dbraw/zinc/44/31/99/1414443199.db2.gz DDUOLDZXAMSEIJ-UHFFFAOYSA-N 0 1 380.920 3.400 20 0 GGADMN Oc1ccccc1N1CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000122430912 1414457176 /nfs/dbraw/zinc/45/71/76/1414457176.db2.gz BHLXBFMIEAHTIO-UHFFFAOYSA-N 0 1 384.867 3.460 20 0 GGADMN Cc1c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cccc1-c1ccccn1 ZINC000122449090 1414463501 /nfs/dbraw/zinc/46/35/01/1414463501.db2.gz HKINUUXLZRHBBV-IBGZPJMESA-N 0 1 379.504 3.241 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000122468674 1414470923 /nfs/dbraw/zinc/47/09/23/1414470923.db2.gz QFRNIDGLXQAMDS-UZLBHIALSA-N 0 1 375.534 3.470 20 0 GGADMN Cc1c(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cccc1-c1ccccn1 ZINC000122473264 1414473832 /nfs/dbraw/zinc/47/38/32/1414473832.db2.gz SPFMDRJFHWCJPP-QFIPXVFZSA-N 0 1 380.536 3.059 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000122478368 1414475539 /nfs/dbraw/zinc/47/55/39/1414475539.db2.gz MLBCQQRLQORRIP-UHFFFAOYSA-N 0 1 390.487 3.433 20 0 GGADMN CCOc1cc(C)ccc1CNC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000122494858 1414481100 /nfs/dbraw/zinc/48/11/00/1414481100.db2.gz BMPXHWMZTIHVLE-UHFFFAOYSA-N 0 1 395.463 3.187 20 0 GGADMN CCOc1cc(C)ccc1CNC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000122494858 1414481108 /nfs/dbraw/zinc/48/11/08/1414481108.db2.gz BMPXHWMZTIHVLE-UHFFFAOYSA-N 0 1 395.463 3.187 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N[C@@H]1CCCc2occc21 ZINC000122505686 1414484673 /nfs/dbraw/zinc/48/46/73/1414484673.db2.gz BTQXKPGJPFDNAK-HXUWFJFHSA-N 0 1 382.508 3.169 20 0 GGADMN CC(C)c1ccc(CC2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)cc1 ZINC000122521902 1414489387 /nfs/dbraw/zinc/48/93/87/1414489387.db2.gz OOCSUTBGRCBWGR-QFIPXVFZSA-N 0 1 386.584 3.020 20 0 GGADMN CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139096887 1428812802 /nfs/dbraw/zinc/81/28/02/1428812802.db2.gz PAVFVHDVZJYGDB-ZNXRZULTSA-N 0 1 398.511 3.134 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc(C(F)(F)F)nc2)N2CCCC2)c1 ZINC000122528718 1414491639 /nfs/dbraw/zinc/49/16/39/1414491639.db2.gz LMXCQRMCEZVWPX-MRXNPFEDSA-N 0 1 394.397 3.071 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[C@H](C)[C@H](C)C1 ZINC000122548651 1414497401 /nfs/dbraw/zinc/49/74/01/1414497401.db2.gz MUYWZQNZPAVNCO-JKSUJKDBSA-N 0 1 392.569 3.175 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000122560278 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385.552 3.451 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CCC2(CCC2)C1 ZINC000123097366 1414640194 /nfs/dbraw/zinc/64/01/94/1414640194.db2.gz IJCDUDIAHARHTC-MRXNPFEDSA-N 0 1 381.476 3.413 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)no1 ZINC000123096227 1414640333 /nfs/dbraw/zinc/64/03/33/1414640333.db2.gz DUAZNCMZPYPIGG-MRXNPFEDSA-N 0 1 386.477 3.051 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(c2cccc(O)c2)CC1 ZINC000123101125 1414641679 /nfs/dbraw/zinc/64/16/79/1414641679.db2.gz AHXYJAHKKFBYPF-UHFFFAOYSA-N 0 1 382.851 3.398 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N(C[C@H]1CCOC1)C1CC1 ZINC000123103575 1414643163 /nfs/dbraw/zinc/64/31/63/1414643163.db2.gz JTMMJSZHMJJTQV-QGZVFWFLSA-N 0 1 375.488 3.001 20 0 GGADMN COC(=O)CCN(Cc1ccc(OC(C)=O)cc1)Cc1ccc(F)c(F)c1 ZINC000123137741 1414651272 /nfs/dbraw/zinc/65/12/72/1414651272.db2.gz VWSLUTSYTZNNLO-UHFFFAOYSA-N 0 1 377.387 3.455 20 0 GGADMN Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826377889 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20 0 GGADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)cn2)cc1OC(F)F ZINC000123237864 1414675750 /nfs/dbraw/zinc/67/57/50/1414675750.db2.gz PIYSYXIKNQOPEZ-UHFFFAOYSA-N 0 1 378.423 3.056 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000123250278 1414678367 /nfs/dbraw/zinc/67/83/67/1414678367.db2.gz DQNIKPWYBFEVHY-UHFFFAOYSA-N 0 1 395.532 3.354 20 0 GGADMN NC(=O)C1(NCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CCCCC1 ZINC000123259073 1414680434 /nfs/dbraw/zinc/68/04/34/1414680434.db2.gz JLHGSGRHCHHBKB-FQEVSTJZSA-N 0 1 399.922 3.323 20 0 GGADMN Cc1nnnn1-c1ccc(F)c(NC(=O)CN(CC2CCCCC2)C2CC2)c1 ZINC000123263217 1414681408 /nfs/dbraw/zinc/68/14/08/1414681408.db2.gz DOSGKVLWKFGDHQ-UHFFFAOYSA-N 0 1 386.475 3.093 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3ccc(Cl)nc3)[nH]c2c1 ZINC000123265963 1414682125 /nfs/dbraw/zinc/68/21/25/1414682125.db2.gz CDTNNTICEJEIEK-HNNXBMFYSA-N 0 1 383.839 3.222 20 0 GGADMN NC(=O)C1(NCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCCCC1 ZINC000123276641 1414684934 /nfs/dbraw/zinc/68/49/34/1414684934.db2.gz JVUMEDFQULLPDO-FQEVSTJZSA-N 0 1 397.544 3.000 20 0 GGADMN CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000123295079 1414689995 /nfs/dbraw/zinc/68/99/95/1414689995.db2.gz RJIMBFACGRVGDS-WOJBJXKFSA-N 0 1 387.572 3.334 20 0 GGADMN CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000123294898 1414690115 /nfs/dbraw/zinc/69/01/15/1414690115.db2.gz RJIMBFACGRVGDS-PMACEKPBSA-N 0 1 387.572 3.334 20 0 GGADMN O=C(CN1CCC[C@H](CO)C1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000177668749 1428828604 /nfs/dbraw/zinc/82/86/04/1428828604.db2.gz XBZMVYXVUKWJPD-GHTZIAJQSA-N 0 1 391.515 3.120 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H]1CCSC1)N1CCCCC1 ZINC000123326125 1414697732 /nfs/dbraw/zinc/69/77/32/1414697732.db2.gz LAUIOBNZYBTEQQ-SJLPKXTDSA-N 0 1 377.554 3.369 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccco2)N2CCCC2)C12CCC2 ZINC000123354099 1414704719 /nfs/dbraw/zinc/70/47/19/1414704719.db2.gz QZULXWPGYOHDLC-YTQUADARSA-N 0 1 375.513 3.406 20 0 GGADMN Cc1nc(C)c(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)s1 ZINC000123357814 1414705312 /nfs/dbraw/zinc/70/53/12/1414705312.db2.gz CZDJTUCBJNGJDC-AWEZNQCLSA-N 0 1 393.578 3.470 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2c(OC)cccc2OC)N2CCCC2)c1 ZINC000123357561 1414705503 /nfs/dbraw/zinc/70/55/03/1414705503.db2.gz MZBPQXSEAWFIOJ-SFHVURJKSA-N 0 1 384.476 3.279 20 0 GGADMN C[C@H](NC1CCC2(CC1)c1ccccc1NC2=O)c1nnnn1-c1ccccc1 ZINC000123365254 1414707298 /nfs/dbraw/zinc/70/72/98/1414707298.db2.gz KXPCEUFCJWDGQS-KKWNJKKUSA-N 0 1 388.475 3.146 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@@H](CNc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826521536 1428830019 /nfs/dbraw/zinc/83/00/19/1428830019.db2.gz QIDUBTIYQGIOGC-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@@H+]2CC[C@@H](CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826521536 1428830023 /nfs/dbraw/zinc/83/00/23/1428830023.db2.gz QIDUBTIYQGIOGC-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@@H](CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826521536 1428830028 /nfs/dbraw/zinc/83/00/28/1428830028.db2.gz QIDUBTIYQGIOGC-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000735933426 1428830268 /nfs/dbraw/zinc/83/02/68/1428830268.db2.gz WKZBUFBJEHMKSX-CRAIPNDOSA-N 0 1 395.511 3.245 20 0 GGADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000123395556 1414714997 /nfs/dbraw/zinc/71/49/97/1414714997.db2.gz QWZLLFPXBPYZGG-AWEZNQCLSA-N 0 1 396.422 3.100 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000123404815 1414719693 /nfs/dbraw/zinc/71/96/93/1414719693.db2.gz MEBGQXUTZSFUCT-YJBOKZPZSA-N 0 1 381.476 3.470 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000123461037 1414739593 /nfs/dbraw/zinc/73/95/93/1414739593.db2.gz ZAQUUWZETDAYGJ-SFHVURJKSA-N 0 1 394.519 3.459 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123465257 1414740604 /nfs/dbraw/zinc/74/06/04/1414740604.db2.gz LVGRLQPUCDWAEZ-LLVKDONJSA-N 0 1 377.803 3.071 20 0 GGADMN COc1ccc2c(c1)C=C(C(=O)NC1CCN(Cc3ccc(F)cc3)CC1)CO2 ZINC000123471168 1414743913 /nfs/dbraw/zinc/74/39/13/1414743913.db2.gz IWFKFWSGUDSWBT-UHFFFAOYSA-N 0 1 396.462 3.391 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3cccc(N4CCCNC4=O)c3)[nH]n2)c1 ZINC000123484677 1414749210 /nfs/dbraw/zinc/74/92/10/1414749210.db2.gz HDJMHWWVAULERO-UHFFFAOYSA-N 0 1 391.431 3.257 20 0 GGADMN CC(C)N(C)C(=O)[C@@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000177688028 1428833823 /nfs/dbraw/zinc/83/38/23/1428833823.db2.gz MZYVPHRZEGFIIT-GOSISDBHSA-N 0 1 385.552 3.145 20 0 GGADMN Cc1oc2ccccc2c1CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000123523081 1414762389 /nfs/dbraw/zinc/76/23/89/1414762389.db2.gz JHMNNSCCBRAXKD-UHFFFAOYSA-N 0 1 388.471 3.296 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC2)cc1 ZINC000177693618 1428834910 /nfs/dbraw/zinc/83/49/10/1428834910.db2.gz ZJZZTTNRLVVCIE-LJQANCHMSA-N 0 1 387.568 3.216 20 0 GGADMN COc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC(C)C ZINC000123544028 1414769130 /nfs/dbraw/zinc/76/91/30/1414769130.db2.gz VTAWSVMYWODXBO-HDICACEKSA-N 0 1 392.540 3.349 20 0 GGADMN CN(Cc1ccccc1F)Cn1nc(Br)c(=O)c2ccccc21 ZINC000123559895 1414774219 /nfs/dbraw/zinc/77/42/19/1414774219.db2.gz GENVWFJXVPHUMT-UHFFFAOYSA-N 0 1 376.229 3.388 20 0 GGADMN CCOc1cc(CN[C@H]2COc3ccc(C)cc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000123570374 1414777693 /nfs/dbraw/zinc/77/76/93/1414777693.db2.gz UJAQHZFHYRQBAN-LPHOPBHVSA-N 0 1 398.503 3.473 20 0 GGADMN CC(C)(C)[C@H](NCN1C(=O)C(=O)N(Cc2cccs2)C1=O)c1ccccc1 ZINC000123573595 1414779862 /nfs/dbraw/zinc/77/98/62/1414779862.db2.gz CEKSEPNDSUVUSF-MRXNPFEDSA-N 0 1 385.489 3.373 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000123587884 1414785423 /nfs/dbraw/zinc/78/54/23/1414785423.db2.gz COLMNYBTQYSBPZ-QGZVFWFLSA-N 0 1 386.814 3.478 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000123599239 1414788908 /nfs/dbraw/zinc/78/89/08/1414788908.db2.gz NLTIICHEFDPERH-LJQANCHMSA-N 0 1 395.528 3.292 20 0 GGADMN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(F)cc2O)CC1)c1ccccc1 ZINC000123602307 1414791257 /nfs/dbraw/zinc/79/12/57/1414791257.db2.gz QVNSYNWVNNQCDN-GOSISDBHSA-N 0 1 384.451 3.446 20 0 GGADMN Cn1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(C(F)(F)F)n1 ZINC000123610492 1414794271 /nfs/dbraw/zinc/79/42/71/1414794271.db2.gz WUEGIYWSUHLXAE-CYBMUJFWSA-N 0 1 379.342 3.419 20 0 GGADMN COc1cc([C@H](C)N[C@@H](CO)c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000123615260 1414795791 /nfs/dbraw/zinc/79/57/91/1414795791.db2.gz IXEADJULAAYIAL-WFASDCNBSA-N 0 1 385.432 3.076 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1OCCc2ccccc21 ZINC000123658482 1414805237 /nfs/dbraw/zinc/80/52/37/1414805237.db2.gz HMXCPASRXXCWCN-QFIPXVFZSA-N 0 1 395.503 3.090 20 0 GGADMN C[C@@H](NC(=O)C(=O)Nc1cccc(CSC2CCCCC2)c1)c1nnc[nH]1 ZINC000123691747 1414810705 /nfs/dbraw/zinc/81/07/05/1414810705.db2.gz DRELUWKOZZXHKP-CYBMUJFWSA-N 0 1 387.509 3.187 20 0 GGADMN CCCCc1nc2ccc(NC(=O)c3coc(S(=O)(=O)N(C)C)c3)cc2[nH]1 ZINC000123698296 1414811622 /nfs/dbraw/zinc/81/16/22/1414811622.db2.gz SLUCTSFOYLSUCP-UHFFFAOYSA-N 0 1 390.465 3.001 20 0 GGADMN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000123724572 1414815960 /nfs/dbraw/zinc/81/59/60/1414815960.db2.gz VLXXZLXCGQPIGH-CABCVRRESA-N 0 1 393.447 3.069 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000123743835 1414818725 /nfs/dbraw/zinc/81/87/25/1414818725.db2.gz FJSPXZLATGIJHO-UZLBHIALSA-N 0 1 380.419 3.396 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000123744459 1414818756 /nfs/dbraw/zinc/81/87/56/1414818756.db2.gz FJSPXZLATGIJHO-OXJNMPFZSA-N 0 1 380.419 3.396 20 0 GGADMN C[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123746876 1414819205 /nfs/dbraw/zinc/81/92/05/1414819205.db2.gz YUJHILIOUSHTOF-NQUFMGSDSA-N 0 1 398.906 3.172 20 0 GGADMN CCOC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123761199 1414821082 /nfs/dbraw/zinc/82/10/82/1414821082.db2.gz SSSMHYSWKBZARR-CZUORRHYSA-N 0 1 384.879 3.177 20 0 GGADMN Cc1cc(C)c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000123770038 1414822106 /nfs/dbraw/zinc/82/21/06/1414822106.db2.gz DCFIFPSAEUCFFE-RDTXWAMCSA-N 0 1 391.874 3.207 20 0 GGADMN COC(=O)N(C)CCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123779547 1414823539 /nfs/dbraw/zinc/82/35/39/1414823539.db2.gz ACCNYSYTMCPNHU-KSSFIOAISA-N 0 1 399.894 3.067 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000123784926 1414824045 /nfs/dbraw/zinc/82/40/45/1414824045.db2.gz OGYORBPHNZPEJZ-QGZVFWFLSA-N 0 1 376.416 3.220 20 0 GGADMN O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccccc1)NCC(=O)c1ccccc1 ZINC000123791647 1414824935 /nfs/dbraw/zinc/82/49/35/1414824935.db2.gz VZZQFSAICOGQRP-VXKWHMMOSA-N 0 1 394.515 3.354 20 0 GGADMN O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)NCC(=O)c1ccccc1 ZINC000123791396 1414825011 /nfs/dbraw/zinc/82/50/11/1414825011.db2.gz VZZQFSAICOGQRP-FCHUYYIVSA-N 0 1 394.515 3.354 20 0 GGADMN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1nnc[nH]1 ZINC000123797744 1414825919 /nfs/dbraw/zinc/82/59/19/1414825919.db2.gz YLTQDKSSQJRMHH-LLVKDONJSA-N 0 1 385.811 3.066 20 0 GGADMN C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)c1nnc[nH]1 ZINC000123797553 1414825973 /nfs/dbraw/zinc/82/59/73/1414825973.db2.gz YLTQDKSSQJRMHH-NSHDSACASA-N 0 1 385.811 3.066 20 0 GGADMN C[C@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000123801605 1414826282 /nfs/dbraw/zinc/82/62/82/1414826282.db2.gz DXNDFTBHVMJSBV-PSLIRLAXSA-N 0 1 377.359 3.034 20 0 GGADMN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000123801816 1414826315 /nfs/dbraw/zinc/82/63/15/1414826315.db2.gz DXNDFTBHVMJSBV-BJOHPYRUSA-N 0 1 377.359 3.034 20 0 GGADMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000123802037 1414826740 /nfs/dbraw/zinc/82/67/40/1414826740.db2.gz DXNDFTBHVMJSBV-RFAUZJTJSA-N 0 1 377.359 3.034 20 0 GGADMN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)c1nnc[nH]1 ZINC000123803757 1414826827 /nfs/dbraw/zinc/82/68/27/1414826827.db2.gz KDIWYTYQHMPSMK-JTQLQIEISA-N 0 1 387.802 3.080 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCCn2ccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123815946 1414828402 /nfs/dbraw/zinc/82/84/02/1414828402.db2.gz YBMWRNOHJUDYDB-KXBFYZLASA-N 0 1 378.879 3.265 20 0 GGADMN CS(=O)(=O)Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000123825116 1414829649 /nfs/dbraw/zinc/82/96/49/1414829649.db2.gz UIVGDFZRJZRODZ-GOSISDBHSA-N 0 1 386.517 3.082 20 0 GGADMN C[C@H](c1ccccc1)N(CCC(=O)Nc1ccc(Cl)cc1F)CC(N)=O ZINC000123824204 1414829865 /nfs/dbraw/zinc/82/98/65/1414829865.db2.gz LIESYGIEOFGXHD-CYBMUJFWSA-N 0 1 377.847 3.356 20 0 GGADMN CCCOc1ccc(CNC(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123826599 1414830241 /nfs/dbraw/zinc/83/02/41/1414830241.db2.gz LLMRQGBCXWMWRL-QUCCMNQESA-N 0 1 392.565 3.078 20 0 GGADMN Cc1c(CCC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1C ZINC000123825876 1414830285 /nfs/dbraw/zinc/83/02/85/1414830285.db2.gz IPLUXOGPNDMDHG-OXQOHEQNSA-N 0 1 392.906 3.263 20 0 GGADMN O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1ccc(F)cc1O ZINC000123828684 1414830525 /nfs/dbraw/zinc/83/05/25/1414830525.db2.gz ANHUOGWGKNHRNI-SANMLTNESA-N 0 1 377.437 3.211 20 0 GGADMN O=C(CN(Cc1ccccc1)CC1CCC1)Nc1cc(-n2cnnn2)ccc1F ZINC000123832278 1414831645 /nfs/dbraw/zinc/83/16/45/1414831645.db2.gz CNANDQRSEBPNJC-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(C)=O)c(C)c2)N(C)C)cc1 ZINC000123838193 1414832454 /nfs/dbraw/zinc/83/24/54/1414832454.db2.gz PIAURWLPEMWZDE-OAQYLSRUSA-N 0 1 395.503 3.118 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2nnc(CC(C)C)s2)N(C)C)c1 ZINC000123839551 1414832799 /nfs/dbraw/zinc/83/27/99/1414832799.db2.gz WHERSKMRZSGEES-OAHLLOKOSA-N 0 1 377.514 3.170 20 0 GGADMN Cc1nc2ccc(NC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)cc2s1 ZINC000123851541 1414834995 /nfs/dbraw/zinc/83/49/95/1414834995.db2.gz IXOVXYDZSUANBB-GOSISDBHSA-N 0 1 396.516 3.145 20 0 GGADMN Cc1c(/C=C/C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1C ZINC000123852997 1414835512 /nfs/dbraw/zinc/83/55/12/1414835512.db2.gz PJTAIIQTLZHECI-SMQNEPHISA-N 0 1 390.890 3.343 20 0 GGADMN C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1nnc[nH]1 ZINC000123853417 1414835656 /nfs/dbraw/zinc/83/56/56/1414835656.db2.gz BURPSNQQCONXBS-NSHDSACASA-N 0 1 385.811 3.066 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)C[C@H](O)c3ccco3)n2)cc1 ZINC000123857712 1414836056 /nfs/dbraw/zinc/83/60/56/1414836056.db2.gz GXUWACBCIVJMLA-ZFWWWQNUSA-N 0 1 386.477 3.094 20 0 GGADMN CCCOC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000123861887 1414837461 /nfs/dbraw/zinc/83/74/61/1414837461.db2.gz KQZZJASMYYNWHM-UHFFFAOYSA-N 0 1 396.491 3.435 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000123867519 1414838751 /nfs/dbraw/zinc/83/87/51/1414838751.db2.gz MWMQJQXEVFQBJA-LJQANCHMSA-N 0 1 375.419 3.284 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000123868006 1414839096 /nfs/dbraw/zinc/83/90/96/1414839096.db2.gz LSWVAUZJJKDFFK-IBGZPJMESA-N 0 1 393.409 3.423 20 0 GGADMN Cc1nn(C)cc1CCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123879341 1414841336 /nfs/dbraw/zinc/84/13/36/1414841336.db2.gz IPXHKWYMPIYMKF-MGPUTAFESA-N 0 1 392.906 3.263 20 0 GGADMN C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123880276 1414841889 /nfs/dbraw/zinc/84/18/89/1414841889.db2.gz VOANADQKEAPOSF-ZBQZNYHESA-N 0 1 391.874 3.451 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000123900410 1414846224 /nfs/dbraw/zinc/84/62/24/1414846224.db2.gz CCBLRBMPCMISEW-UHFFFAOYSA-N 0 1 391.475 3.196 20 0 GGADMN Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123903989 1414846803 /nfs/dbraw/zinc/84/68/03/1414846803.db2.gz POTJNKXMKGSYJV-RDTXWAMCSA-N 0 1 378.879 3.252 20 0 GGADMN Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123903785 1414846879 /nfs/dbraw/zinc/84/68/79/1414846879.db2.gz POTJNKXMKGSYJV-KBXCAEBGSA-N 0 1 378.879 3.252 20 0 GGADMN NC(=O)c1ccsc1NC(=O)CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719725 1428841857 /nfs/dbraw/zinc/84/18/57/1428841857.db2.gz BHCZYKJOEOJMJX-UHFFFAOYSA-N 0 1 395.484 3.494 20 0 GGADMN CC[C@@H](NCc1cc(OC)c(OCC(N)=O)c(OC)c1)c1cc(F)ccc1F ZINC000123927658 1414851233 /nfs/dbraw/zinc/85/12/33/1414851233.db2.gz HPENEBCCJDNZHO-MRXNPFEDSA-N 0 1 394.418 3.087 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc(O)cc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123930774 1414851513 /nfs/dbraw/zinc/85/15/13/1414851513.db2.gz MWXOFHSKGBJEHK-XIKOKIGWSA-N 0 1 378.831 3.313 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000123944842 1414854827 /nfs/dbraw/zinc/85/48/27/1414854827.db2.gz NFMBRDHERNMZRT-UYAOXDASSA-N 0 1 385.508 3.476 20 0 GGADMN NC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC4CCC4)cc3Cl)cc21 ZINC000123955100 1414857024 /nfs/dbraw/zinc/85/70/24/1414857024.db2.gz WEJRBSDNSVFSPB-UHFFFAOYSA-N 0 1 384.823 3.499 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)[C@@H]2CCSC2)CC1 ZINC000123966503 1414858688 /nfs/dbraw/zinc/85/86/88/1414858688.db2.gz ZHEIWZLULGRNEP-DOTOQJQBSA-N 0 1 394.560 3.176 20 0 GGADMN COc1ccc2c(c1)C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)CO2 ZINC000123972146 1414860189 /nfs/dbraw/zinc/86/01/89/1414860189.db2.gz BMUANLWLBURPSI-HKUYNNGSSA-N 0 1 384.476 3.183 20 0 GGADMN O=C(Nc1cccc2cnccc21)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000123984726 1414862994 /nfs/dbraw/zinc/86/29/94/1414862994.db2.gz KDDIUKUALFJKGU-NRFANRHFSA-N 0 1 388.471 3.127 20 0 GGADMN CCC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)c1ccc(F)cc1F ZINC000123985240 1414863066 /nfs/dbraw/zinc/86/30/66/1414863066.db2.gz ZNLKQVKQJNVNGM-QGZVFWFLSA-N 0 1 388.418 3.118 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000123992030 1414864570 /nfs/dbraw/zinc/86/45/70/1414864570.db2.gz FOSBFONLOYLLIA-SFHVURJKSA-N 0 1 383.517 3.300 20 0 GGADMN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000123994898 1414865242 /nfs/dbraw/zinc/86/52/42/1414865242.db2.gz QMOGHZBZZKAABH-NRFANRHFSA-N 0 1 388.471 3.127 20 0 GGADMN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000123996833 1414865862 /nfs/dbraw/zinc/86/58/62/1414865862.db2.gz ZYRCOWMMQGJRHI-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000124002039 1414866874 /nfs/dbraw/zinc/86/68/74/1414866874.db2.gz WGDDOVJJXHKCKK-QGZVFWFLSA-N 0 1 389.858 3.371 20 0 GGADMN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1O ZINC000124008600 1414867824 /nfs/dbraw/zinc/86/78/24/1414867824.db2.gz OOHQFIZPZSPWTM-ZDUSSCGKSA-N 0 1 387.329 3.062 20 0 GGADMN Cn1cc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)c(-c2cccnc2)n1 ZINC000124033505 1414873126 /nfs/dbraw/zinc/87/31/26/1414873126.db2.gz IQTWHYJOXNKUMH-UHFFFAOYSA-N 0 1 376.460 3.283 20 0 GGADMN COc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)c1 ZINC000124034186 1414873710 /nfs/dbraw/zinc/87/37/10/1414873710.db2.gz NFIRLRUGQZCWAO-WIYYLYMNSA-N 0 1 383.492 3.008 20 0 GGADMN CCOc1c(Cl)cc(CNC(=O)NCCCc2cn[nH]c2C)cc1OC ZINC000124046915 1414875863 /nfs/dbraw/zinc/87/58/63/1414875863.db2.gz OWBPEXDMNZDGRI-UHFFFAOYSA-N 0 1 380.876 3.211 20 0 GGADMN Cc1c([C@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)nnn1-c1ccc(F)cc1 ZINC000124064837 1414878763 /nfs/dbraw/zinc/87/87/63/1414878763.db2.gz XLLSWTFBYLOTAI-KBXCAEBGSA-N 0 1 393.466 3.450 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nn3cnc4ccccc43)cc2)C[C@@H](C)O1 ZINC000124068055 1414879690 /nfs/dbraw/zinc/87/96/90/1414879690.db2.gz ULMHYAJYIBDSII-IAGOWNOFSA-N 0 1 393.491 3.099 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cccc(Oc3ccncc3)c2)C[C@@H]1C ZINC000124068905 1414879960 /nfs/dbraw/zinc/87/99/60/1414879960.db2.gz FDPFSRIOQJRXGQ-CALCHBBNSA-N 0 1 384.480 3.447 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CN3CCOC3=O)cc2)c1 ZINC000124090522 1414883522 /nfs/dbraw/zinc/88/35/22/1414883522.db2.gz ZBLXSTDITIJVQW-UHFFFAOYSA-N 0 1 380.853 3.401 20 0 GGADMN CCc1nn(C)c(Cl)c1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124115123 1414888110 /nfs/dbraw/zinc/88/81/10/1414888110.db2.gz UYIHIIYWORSGSX-AWEZNQCLSA-N 0 1 376.936 3.333 20 0 GGADMN COC1CCC(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CC1 ZINC000124125678 1414890272 /nfs/dbraw/zinc/89/02/72/1414890272.db2.gz SWZWCBKMCHGPJE-LRYGQEGESA-N 0 1 391.531 3.350 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCC1(Cc2ccccc2)CC1 ZINC000124132307 1414891961 /nfs/dbraw/zinc/89/19/61/1414891961.db2.gz NAQHDZXQKWFTMD-UHFFFAOYSA-N 0 1 393.512 3.214 20 0 GGADMN C[C@H](CNC(=O)CSc1nccn1C(C)(C)C)N1CCc2ccccc2C1 ZINC000124137441 1414892891 /nfs/dbraw/zinc/89/28/91/1414892891.db2.gz KZKKYPWQDJVIDQ-MRXNPFEDSA-N 0 1 386.565 3.293 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccccc2)C1)Nc1cccc(N2CCCC2=O)c1 ZINC000124138575 1414893506 /nfs/dbraw/zinc/89/35/06/1414893506.db2.gz OHUDACGHUUPXOG-LJQANCHMSA-N 0 1 377.488 3.317 20 0 GGADMN O=C(CN1CC[C@@H](Cc2ccccc2)C1)Nc1cccc(N2CCCC2=O)c1 ZINC000124138356 1414893579 /nfs/dbraw/zinc/89/35/79/1414893579.db2.gz OHUDACGHUUPXOG-IBGZPJMESA-N 0 1 377.488 3.317 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)CCSC)CC1 ZINC000124143276 1414894479 /nfs/dbraw/zinc/89/44/79/1414894479.db2.gz XRYIBWNPHSTCRY-OAHLLOKOSA-N 0 1 382.549 3.033 20 0 GGADMN CC(C)c1nc(CNCCCC(=O)N2CCN(c3ccccc3)CC2)cs1 ZINC000124150625 1414896052 /nfs/dbraw/zinc/89/60/52/1414896052.db2.gz CNXMRJKEIXKOAN-UHFFFAOYSA-N 0 1 386.565 3.485 20 0 GGADMN CC(=O)Oc1ccc(CN2CCN(Cc3ccc(OC(C)=O)cc3)[C@H](C)C2)cc1 ZINC000124153923 1414896515 /nfs/dbraw/zinc/89/65/15/1414896515.db2.gz IPVPMKBFYSTLBE-QGZVFWFLSA-N 0 1 396.487 3.244 20 0 GGADMN Cn1cc(CN(CCO)CCOCC(F)(F)F)c(-c2cc3ccccc3o2)n1 ZINC000124159308 1414897653 /nfs/dbraw/zinc/89/76/53/1414897653.db2.gz ILTBRZFLQBYNTP-UHFFFAOYSA-N 0 1 397.397 3.207 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1 ZINC000124168899 1414899088 /nfs/dbraw/zinc/89/90/88/1414899088.db2.gz UXDNVGIUYYDWJD-UHFFFAOYSA-N 0 1 392.864 3.098 20 0 GGADMN CC(=O)NCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000124183671 1414902378 /nfs/dbraw/zinc/90/23/78/1414902378.db2.gz AZALUCRFTHDOPV-QFIPXVFZSA-N 0 1 378.476 3.465 20 0 GGADMN CC[C@@H](NCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccc(OC)cc1 ZINC000124190287 1414904333 /nfs/dbraw/zinc/90/43/33/1414904333.db2.gz NULARMCSQRAEMQ-HXUWFJFHSA-N 0 1 397.519 3.416 20 0 GGADMN O=S1(=O)CCC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000124208009 1414908762 /nfs/dbraw/zinc/90/87/62/1414908762.db2.gz GDAVVYPKKUGCHH-IBGZPJMESA-N 0 1 381.501 3.206 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@H](CC)c1ccc(OC)cc1 ZINC000124215627 1414910615 /nfs/dbraw/zinc/91/06/15/1414910615.db2.gz XUSGQOZKINHDLF-LJQANCHMSA-N 0 1 383.492 3.053 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCc4ccc(Cl)cc4C3)cc2[nH]c1=S ZINC000124222843 1414912671 /nfs/dbraw/zinc/91/26/71/1414912671.db2.gz VIOQOAXXLWOUPV-UHFFFAOYSA-N 0 1 385.876 3.074 20 0 GGADMN CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)C1(C)C ZINC000177740434 1428847133 /nfs/dbraw/zinc/84/71/33/1428847133.db2.gz CDOKWJNTJMWINB-RTBURBONSA-N 0 1 375.513 3.499 20 0 GGADMN CCCCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)C1(C)C ZINC000177740434 1428847136 /nfs/dbraw/zinc/84/71/36/1428847136.db2.gz CDOKWJNTJMWINB-RTBURBONSA-N 0 1 375.513 3.499 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccccc2)C1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000124225382 1414913469 /nfs/dbraw/zinc/91/34/69/1414913469.db2.gz GPXOIWDTCLEGHB-GOSISDBHSA-N 0 1 377.488 3.082 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc5c4oc(=O)n5C)C3)[nH]c2c1 ZINC000124243178 1414918127 /nfs/dbraw/zinc/91/81/27/1414918127.db2.gz GBXWHTKNRXEZRF-CQSZACIVSA-N 0 1 390.443 3.336 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N(C)CCCn1ccnc1 ZINC000124246672 1414918664 /nfs/dbraw/zinc/91/86/64/1414918664.db2.gz PGPNXUXZJZVSRG-KGLIPLIRSA-N 0 1 385.537 3.389 20 0 GGADMN Cc1nnc(-c2ccccc2C)n1-c1ccc(OS(=O)(=O)c2c[nH]cn2)cc1 ZINC000124248913 1414919955 /nfs/dbraw/zinc/91/99/55/1414919955.db2.gz JMBRATUQDALUSE-UHFFFAOYSA-N 0 1 395.444 3.042 20 0 GGADMN O=C(CN1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000124252790 1414921421 /nfs/dbraw/zinc/92/14/21/1414921421.db2.gz TWROJTZGEVQINQ-SFHVURJKSA-N 0 1 377.488 3.082 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(C)(C)C)CC(C)(C)CN1CCOCC1 ZINC000124253001 1414921498 /nfs/dbraw/zinc/92/14/98/1414921498.db2.gz KGMSWZZQXAVZJS-UHFFFAOYSA-N 0 1 375.557 3.213 20 0 GGADMN CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000124256493 1414922287 /nfs/dbraw/zinc/92/22/87/1414922287.db2.gz UWQDKVWBDYXESL-IBGZPJMESA-N 0 1 387.505 3.300 20 0 GGADMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000124256493 1414922291 /nfs/dbraw/zinc/92/22/91/1414922291.db2.gz UWQDKVWBDYXESL-IBGZPJMESA-N 0 1 387.505 3.300 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000124262820 1414924594 /nfs/dbraw/zinc/92/45/94/1414924594.db2.gz POLBMJLNBNJRNS-UHFFFAOYSA-N 0 1 376.460 3.357 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@H](CO)C(C)(C)C ZINC000825980946 1428848224 /nfs/dbraw/zinc/84/82/24/1428848224.db2.gz MOBDURQBTJFKIR-HXUWFJFHSA-N 0 1 395.507 3.285 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H](CO)C(C)(C)C ZINC000825980946 1428848228 /nfs/dbraw/zinc/84/82/28/1428848228.db2.gz MOBDURQBTJFKIR-HXUWFJFHSA-N 0 1 395.507 3.285 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H](CO)C(C)(C)C ZINC000825980946 1428848235 /nfs/dbraw/zinc/84/82/35/1428848235.db2.gz MOBDURQBTJFKIR-HXUWFJFHSA-N 0 1 395.507 3.285 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)C(=O)NCc3ccccc3C)C2)nc1 ZINC000177743324 1428848310 /nfs/dbraw/zinc/84/83/10/1428848310.db2.gz QXFCHCZLKBVWJW-ICSRJNTNSA-N 0 1 394.519 3.054 20 0 GGADMN CCOC(=O)C1CCC(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000124271807 1414926494 /nfs/dbraw/zinc/92/64/94/1414926494.db2.gz CTCRVHUDYFTSED-ABHNRTSZSA-N 0 1 391.512 3.228 20 0 GGADMN CC(C)(C)S(=O)(=O)Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000124291579 1414930707 /nfs/dbraw/zinc/93/07/07/1414930707.db2.gz WDMPPDCTPWBGRH-UHFFFAOYSA-N 0 1 377.510 3.436 20 0 GGADMN Cc1ccc2nc(NC(=O)CN3CCN(CCc4ccccc4)CC3)sc2c1 ZINC000124302524 1414933510 /nfs/dbraw/zinc/93/35/10/1414933510.db2.gz 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20 0 GGADMN CC[C@H]1CN(C)c2ccccc2CN1C(=O)CSc1n[nH]c(=S)s1 ZINC000124585674 1414999840 /nfs/dbraw/zinc/99/98/40/1414999840.db2.gz PLYSDDUZRWUVGR-LBPRGKRZSA-N 0 1 380.564 3.176 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccccc2-c2nnc(C)o2)N(C)C)c1 ZINC000124586519 1414999895 /nfs/dbraw/zinc/99/98/95/1414999895.db2.gz JAMGQDSXNUNULB-IBGZPJMESA-N 0 1 380.448 3.086 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735856527 1428854591 /nfs/dbraw/zinc/85/45/91/1428854591.db2.gz JFZRWTIKOKQTPL-UHFFFAOYSA-N 0 1 395.467 3.121 20 0 GGADMN O=S(=O)(CCN[C@@H]1CC2(CCC2)Oc2ccccc21)NCc1ccccc1 ZINC000177771187 1428854590 /nfs/dbraw/zinc/85/45/90/1428854590.db2.gz RGSMXTAUGCJAQR-LJQANCHMSA-N 0 1 386.517 3.142 20 0 GGADMN CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735856527 1428854597 /nfs/dbraw/zinc/85/45/97/1428854597.db2.gz JFZRWTIKOKQTPL-UHFFFAOYSA-N 0 1 395.467 3.121 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735856527 1428854603 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O=C(NC[C@@H](O)c1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCC1 ZINC000124761074 1415038488 /nfs/dbraw/zinc/03/84/88/1415038488.db2.gz VAUYRTBZJZITIW-DLBZAZTESA-N 0 1 377.872 3.103 20 0 GGADMN C[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)N1CCc2ccccc2C1 ZINC000124776654 1415042175 /nfs/dbraw/zinc/04/21/75/1415042175.db2.gz RVLIBNLWEHVXNS-JTQLQIEISA-N 0 1 385.415 3.125 20 0 GGADMN CO[C@H](C)c1noc(CCC(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)n1 ZINC000124785942 1415043860 /nfs/dbraw/zinc/04/38/60/1415043860.db2.gz VGPMRKYSERYSCE-GFCCVEGCSA-N 0 1 392.419 3.287 20 0 GGADMN NC(=O)N[C@H](CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccs1 ZINC000124803965 1415047661 /nfs/dbraw/zinc/04/76/61/1415047661.db2.gz SNKJGRSHSMFJGN-CABCVRRESA-N 0 1 399.476 3.214 20 0 GGADMN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 ZINC000124817183 1415051737 /nfs/dbraw/zinc/05/17/37/1415051737.db2.gz YTKNUQKGRRZFFW-SFHVURJKSA-N 0 1 399.882 3.049 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)CN(C)c3ncnc4[nH]cnc43)n2)cc1C ZINC000124844248 1415057232 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GGADMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)[nH]1 ZINC000125026549 1415094328 /nfs/dbraw/zinc/09/43/28/1415094328.db2.gz IUGGTRAPDBUVGY-UHFFFAOYSA-N 0 1 399.834 3.095 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000177823733 1428865581 /nfs/dbraw/zinc/86/55/81/1428865581.db2.gz HKJSNLDAJXRCRA-UHFFFAOYSA-N 0 1 382.395 3.179 20 0 GGADMN CC[C@@](C)(CO)NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000177827353 1428866097 /nfs/dbraw/zinc/86/60/97/1428866097.db2.gz WRAUQMBEHQUMPY-NRFANRHFSA-N 0 1 390.528 3.174 20 0 GGADMN Cc1ccc(C(C)(C)CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000125116660 1415112277 /nfs/dbraw/zinc/11/22/77/1415112277.db2.gz NSVBTOFZRYFFEI-UHFFFAOYSA-N 0 1 380.536 3.126 20 0 GGADMN C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Cl)N1CCc2ccccc2C1 ZINC000125133303 1415116317 /nfs/dbraw/zinc/11/63/17/1415116317.db2.gz KCOPHZRGCAKDPL-QRWLVFNGSA-N 0 1 387.911 3.119 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCC(CO)CC3)[nH]n2)o1 ZINC000177830076 1428867281 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GGADMN COc1ccccc1[C@H](C)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000125216394 1415132613 /nfs/dbraw/zinc/13/26/13/1415132613.db2.gz YDOZNRKIEVDJBI-INIZCTEOSA-N 0 1 376.522 3.374 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1)CCC2 ZINC000177835444 1428868683 /nfs/dbraw/zinc/86/86/83/1428868683.db2.gz LZSSRTHFMOTNEX-WBVHZDCISA-N 0 1 394.585 3.081 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000125240446 1415137914 /nfs/dbraw/zinc/13/79/14/1415137914.db2.gz MIZAVVUVCKXQJD-PMPSAXMXSA-N 0 1 386.517 3.107 20 0 GGADMN C[C@H](NC(=O)CN(C)CCCNC(=O)OC(C)(C)C)c1ccccc1Cl ZINC000125254768 1415143382 /nfs/dbraw/zinc/14/33/82/1415143382.db2.gz VJUQHAOGKCXWOP-AWEZNQCLSA-N 0 1 383.920 3.364 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000125265813 1415146703 /nfs/dbraw/zinc/14/67/03/1415146703.db2.gz XZZIXUHFDAICAL-INIZCTEOSA-N 0 1 378.542 3.143 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc3c(c2)CCN3C(C)=O)N(C)C)c1 ZINC000125263945 1415146773 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GGADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)CCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000125328179 1415165640 /nfs/dbraw/zinc/16/56/40/1415165640.db2.gz RYDHINYFPBVNLZ-CYBMUJFWSA-N 0 1 399.520 3.230 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C(=O)CCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000125328355 1415165733 /nfs/dbraw/zinc/16/57/33/1415165733.db2.gz RYDHINYFPBVNLZ-ZDUSSCGKSA-N 0 1 399.520 3.230 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3nc4ccccc4s3)cc2)CC1 ZINC000125330832 1415166565 /nfs/dbraw/zinc/16/65/65/1415166565.db2.gz YNCHAVDIVHDBGC-UHFFFAOYSA-N 0 1 396.516 3.175 20 0 GGADMN Cc1cscc1NC(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000125350731 1415172202 /nfs/dbraw/zinc/17/22/02/1415172202.db2.gz SIJDXDLLAKTVGE-UHFFFAOYSA-N 0 1 391.924 3.429 20 0 GGADMN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000125362918 1415176497 /nfs/dbraw/zinc/17/64/97/1415176497.db2.gz LITOVVFMPPLTRM-AWEZNQCLSA-N 0 1 398.488 3.406 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000125366400 1415177313 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COc1cc(F)c(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000125492369 1415213257 /nfs/dbraw/zinc/21/32/57/1415213257.db2.gz QMMQBXQJMSZNCP-MRXNPFEDSA-N 0 1 376.428 3.311 20 0 GGADMN C[C@H](NC(=O)CCOc1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000125509989 1415217467 /nfs/dbraw/zinc/21/74/67/1415217467.db2.gz AOYSHFLPDCQJGP-KRWDZBQOSA-N 0 1 385.483 3.224 20 0 GGADMN CN1CC[C@H](CNC(=O)CNC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000125515909 1415218415 /nfs/dbraw/zinc/21/84/15/1415218415.db2.gz VQNPGKAGKUGNPB-CXAGYDPISA-N 0 1 399.894 3.113 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(-n5ccnn5)cc4)C3)[nH]c2c1 ZINC000125516715 1415218963 /nfs/dbraw/zinc/21/89/63/1415218963.db2.gz QBFLBRQDGNPUSY-KRWDZBQOSA-N 0 1 386.459 3.472 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000125555136 1415225394 /nfs/dbraw/zinc/22/53/94/1415225394.db2.gz UEGVXXNGDIAEPN-IBGZPJMESA-N 0 1 399.466 3.116 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000125557042 1415225891 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381.484 3.333 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000125567723 1415228705 /nfs/dbraw/zinc/22/87/05/1415228705.db2.gz CCOCXLZOBGTRKR-HACGYAERSA-N 0 1 397.922 3.139 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N(Cc1ccco1)Cc1ccco1 ZINC000125577673 1415230210 /nfs/dbraw/zinc/23/02/10/1415230210.db2.gz BQROVXYBUBVSRD-UHFFFAOYSA-N 0 1 381.413 3.240 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000125582359 1415231185 /nfs/dbraw/zinc/23/11/85/1415231185.db2.gz WPQRERUEWZJICT-UHFFFAOYSA-N 0 1 381.480 3.349 20 0 GGADMN C[C@@](O)(CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccsc1 ZINC000125602902 1415236025 /nfs/dbraw/zinc/23/60/25/1415236025.db2.gz LHRUGKIIYSQTTH-HXUWFJFHSA-N 0 1 391.512 3.059 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000125620752 1415239406 /nfs/dbraw/zinc/23/94/06/1415239406.db2.gz GCODDNFTDPMULS-UHFFFAOYSA-N 0 1 396.491 3.262 20 0 GGADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 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395.912 3.009 20 0 GGADMN O=S(=O)(c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1)N1CCCC1 ZINC000177896395 1428885734 /nfs/dbraw/zinc/88/57/34/1428885734.db2.gz IRHWSYHNXFDZCA-HXUWFJFHSA-N 0 1 386.517 3.475 20 0 GGADMN COc1ccccc1CCNC(=O)CN1CCC(OCCc2ccccc2)CC1 ZINC000125739653 1415267275 /nfs/dbraw/zinc/26/72/75/1415267275.db2.gz LNVQOFDPPAXTIY-UHFFFAOYSA-N 0 1 396.531 3.078 20 0 GGADMN CC(=O)Nc1cc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)ccc1F ZINC000125751948 1415270373 /nfs/dbraw/zinc/27/03/73/1415270373.db2.gz GKMCVKYDCFLEMD-UHFFFAOYSA-N 0 1 399.470 3.488 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000125754508 1415271148 /nfs/dbraw/zinc/27/11/48/1415271148.db2.gz FEEVPHKAHIJWMW-SFTDATJTSA-N 0 1 387.499 3.411 20 0 GGADMN CCCCN1C(=O)CC[C@H](C(=O)Nc2n[nH]c(CC)n2)[C@H]1c1ccccc1OC ZINC000125762988 1415273460 /nfs/dbraw/zinc/27/34/60/1415273460.db2.gz BDTQFXSFXUOMTR-HNAYVOBHSA-N 0 1 399.495 3.094 20 0 GGADMN CCCCN1C(=O)CC[C@H](C(=O)Nc2nc(CC)n[nH]2)[C@H]1c1ccccc1OC ZINC000125762988 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1 396.535 3.294 20 0 GGADMN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)NCC(F)(F)F ZINC000125773443 1415276490 /nfs/dbraw/zinc/27/64/90/1415276490.db2.gz FFSUCOZKAFCWDO-UHFFFAOYSA-N 0 1 389.421 3.053 20 0 GGADMN CCOc1cccc(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)c1OC(F)F ZINC000125773412 1415276527 /nfs/dbraw/zinc/27/65/27/1415276527.db2.gz NPTRSFFTIGRSQW-OAHLLOKOSA-N 0 1 385.455 3.168 20 0 GGADMN COC(=O)c1cc(CN(C)C[C@H](O)c2cccc(Br)c2)oc1C ZINC000125774248 1415277422 /nfs/dbraw/zinc/27/74/22/1415277422.db2.gz IVJKXQPLFNQZSV-INIZCTEOSA-N 0 1 382.254 3.303 20 0 GGADMN Nn1c(SCc2ccccn2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000125773887 1415277478 /nfs/dbraw/zinc/27/74/78/1415277478.db2.gz APHOUSKFEYOCLO-UHFFFAOYSA-N 0 1 383.868 3.390 20 0 GGADMN O=C1c2ccccc2C(=O)N1CCN1CCC(OCCc2ccccc2)CC1 ZINC000125775658 1415277865 /nfs/dbraw/zinc/27/78/65/1415277865.db2.gz IPRNPMGUISDKKU-UHFFFAOYSA-N 0 1 378.472 3.006 20 0 GGADMN COCCCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N ZINC000125777307 1415278516 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0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000125962126 1415323156 /nfs/dbraw/zinc/32/31/56/1415323156.db2.gz RARWVZFCNDPADR-IRLDBZIGSA-N 0 1 386.584 3.209 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C(N)=O)c1ccccc1 ZINC000125968131 1415325179 /nfs/dbraw/zinc/32/51/79/1415325179.db2.gz GUEYOLGYRVIKSL-SJKOYZFVSA-N 0 1 379.382 3.239 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000125970456 1415325994 /nfs/dbraw/zinc/32/59/94/1415325994.db2.gz MOKQASHKECJALD-APWZRJJASA-N 0 1 393.959 3.497 20 0 GGADMN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000125993400 1415332231 /nfs/dbraw/zinc/33/22/31/1415332231.db2.gz MRWWVVMIKOYGNL-OAQYLSRUSA-N 0 1 393.535 3.189 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000125993166 1415332299 /nfs/dbraw/zinc/33/22/99/1415332299.db2.gz MRWWVVMIKOYGNL-NRFANRHFSA-N 0 1 393.535 3.189 20 0 GGADMN COc1cc([C@@H](C)N[C@H](C)c2cnn(C)c2C)ccc1S(=O)(=O)C(F)F ZINC000177961230 1428902643 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GGADMN C[C@@H](CNC(=O)c1ccc(C2N=NC(=S)O2)cc1)N1CCc2ccccc2C1 ZINC000126070335 1415350811 /nfs/dbraw/zinc/35/08/11/1415350811.db2.gz DOBMFLCRUDSNAL-AWEZNQCLSA-N 0 1 394.500 3.202 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(F)c1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177967908 1428906478 /nfs/dbraw/zinc/90/64/78/1428906478.db2.gz ALZMBEWRYFYBKS-CYBMUJFWSA-N 0 1 398.887 3.260 20 0 GGADMN COc1ccc(CNC(=O)CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000177926699 1428893127 /nfs/dbraw/zinc/89/31/27/1428893127.db2.gz UVSYSIHAJOBVCO-GOSISDBHSA-N 0 1 394.393 3.487 20 0 GGADMN CCOc1cc(CN2CCC3(CC2)OCCO3)ccc1OCC(F)(F)F ZINC000126113009 1415361537 /nfs/dbraw/zinc/36/15/37/1415361537.db2.gz PIKHNNBXZGNIRL-UHFFFAOYSA-N 0 1 375.387 3.365 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(-n4ccnn4)cc3)n2)cc1 ZINC000177936880 1428895016 /nfs/dbraw/zinc/89/50/16/1428895016.db2.gz NRXSBOQAIPNJAB-UHFFFAOYSA-N 0 1 391.460 3.092 20 0 GGADMN NC(=O)c1cccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000126125072 1415364062 /nfs/dbraw/zinc/36/40/62/1415364062.db2.gz RFPQBWCYVHSENC-UHFFFAOYSA-N 0 1 380.492 3.212 20 0 GGADMN COc1cccc([C@H](CNC(=O)CCc2nc(C3CCCC3)no2)N(C)C)c1 ZINC000126124600 1415364222 /nfs/dbraw/zinc/36/42/22/1415364222.db2.gz OXRDDOJTCSHXIR-SFHVURJKSA-N 0 1 386.496 3.088 20 0 GGADMN CN(C)C(=O)c1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)[nH]1 ZINC000126138037 1415367391 /nfs/dbraw/zinc/36/73/91/1415367391.db2.gz QKSKYSPWLLXZBP-UHFFFAOYSA-N 0 1 397.523 3.143 20 0 GGADMN CCCCc1nnc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000177986451 1428916945 /nfs/dbraw/zinc/91/69/45/1428916945.db2.gz JFIFQJWBNFJJAK-UHFFFAOYSA-N 0 1 392.500 3.254 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cnc(-c3ncccn3)s2)N2CCCC2)cc1 ZINC000126152955 1415371151 /nfs/dbraw/zinc/37/11/51/1415371151.db2.gz REMPBCZMEKMTOS-KRWDZBQOSA-N 0 1 393.516 3.475 20 0 GGADMN C[C@H]1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)C[C@H]1n1ccnc1 ZINC000126163112 1415373844 /nfs/dbraw/zinc/37/38/44/1415373844.db2.gz STLQXGJITFGFMO-FXAWDEMLSA-N 0 1 384.549 3.155 20 0 GGADMN C[C@@H]1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)C[C@@H]1n1ccnc1 ZINC000126162458 1415373938 /nfs/dbraw/zinc/37/39/38/1415373938.db2.gz STLQXGJITFGFMO-XLIONFOSSA-N 0 1 384.549 3.155 20 0 GGADMN O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1occc1-c1ccc(F)cc1 ZINC000126174769 1415377057 /nfs/dbraw/zinc/37/70/57/1415377057.db2.gz ZPMBOOYLJDJZDG-FQEVSTJZSA-N 0 1 394.446 3.235 20 0 GGADMN CN1CCCc2ccc(S(=O)(=O)Nc3cccc(Br)n3)cc21 ZINC000126182388 1415379347 /nfs/dbraw/zinc/37/93/47/1415379347.db2.gz PIYNPDONEMWDPJ-UHFFFAOYSA-N 0 1 382.283 3.027 20 0 GGADMN O=c1nc(CN2CCN(CC3CC3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000126186625 1415379752 /nfs/dbraw/zinc/37/97/52/1415379752.db2.gz AOQQXNRVRLOLBG-UHFFFAOYSA-N 0 1 380.517 3.179 20 0 GGADMN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N1CCN(CC2CC2)CC1 ZINC000126191056 1415380902 /nfs/dbraw/zinc/38/09/02/1415380902.db2.gz BGGRTMRDHJQRQP-UONOGXRCSA-N 0 1 386.565 3.198 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCN(CC2CC2)CC1 ZINC000126209133 1415385043 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CN(C)S(=O)(=O)c1ccccc1CNCc1cccc(-c2ccccn2)c1 ZINC000126602680 1415504583 /nfs/dbraw/zinc/50/45/83/1415504583.db2.gz WTXVTVMNADUXST-UHFFFAOYSA-N 0 1 381.501 3.289 20 0 GGADMN C[C@@H](CNC(=O)NCc1ccn(-c2ccccc2)n1)N1CCc2ccccc2C1 ZINC000126611095 1415507070 /nfs/dbraw/zinc/50/70/70/1415507070.db2.gz LCNAXCKWUXRCFV-SFHVURJKSA-N 0 1 389.503 3.118 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)[nH]n1 ZINC000126626180 1415510143 /nfs/dbraw/zinc/51/01/43/1415510143.db2.gz FWOBPGMZXWFYFP-UHFFFAOYSA-N 0 1 380.452 3.274 20 0 GGADMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000126631149 1415512051 /nfs/dbraw/zinc/51/20/51/1415512051.db2.gz PAMDNYBLJIJSAH-DLBZAZTESA-N 0 1 393.528 3.472 20 0 GGADMN COc1ccc2oc([C@@H](C)NCCNS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000178019356 1428940078 /nfs/dbraw/zinc/94/00/78/1428940078.db2.gz OFPQIPXXKHWCAZ-OAHLLOKOSA-N 0 1 388.489 3.379 20 0 GGADMN Cc1nc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)sc1C ZINC000126700437 1415530696 /nfs/dbraw/zinc/53/06/96/1415530696.db2.gz KJIHFTGQGOVTDN-UHFFFAOYSA-N 0 1 385.468 3.252 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3nn[n-]n3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885624 1428942103 /nfs/dbraw/zinc/94/21/03/1428942103.db2.gz TXCYYWIWJCBAOR-APWZRJJASA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000824885624 1428942105 /nfs/dbraw/zinc/94/21/05/1428942105.db2.gz TXCYYWIWJCBAOR-APWZRJJASA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885624 1428942107 /nfs/dbraw/zinc/94/21/07/1428942107.db2.gz TXCYYWIWJCBAOR-APWZRJJASA-N 0 1 394.498 3.491 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000737523015 1428942911 /nfs/dbraw/zinc/94/29/11/1428942911.db2.gz GAVJPVWNVNZXRJ-GOSISDBHSA-N 0 1 378.484 3.046 20 0 GGADMN COc1cc(CN[C@@H](C)c2cc(C)ccc2OC(F)F)ccc1OCC(N)=O ZINC000178028193 1428943522 /nfs/dbraw/zinc/94/35/22/1428943522.db2.gz BLUULEZKVDZNHI-ZDUSSCGKSA-N 0 1 394.418 3.320 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736199764 1428944059 /nfs/dbraw/zinc/94/40/59/1428944059.db2.gz YTXVPUQXMWICRE-RHSMWYFYSA-N 0 1 386.500 3.259 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736199764 1428944062 /nfs/dbraw/zinc/94/40/62/1428944062.db2.gz YTXVPUQXMWICRE-RHSMWYFYSA-N 0 1 386.500 3.259 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736199764 1428944064 /nfs/dbraw/zinc/94/40/64/1428944064.db2.gz YTXVPUQXMWICRE-RHSMWYFYSA-N 0 1 386.500 3.259 20 0 GGADMN C[C@@H](N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)NC(=O)NC1CC1 ZINC000126728609 1415541161 /nfs/dbraw/zinc/54/11/61/1415541161.db2.gz QXUPCQFSKQIHBO-YJYMSZOUSA-N 0 1 387.430 3.215 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000826181651 1428948683 /nfs/dbraw/zinc/94/86/83/1428948683.db2.gz IXQDWCUTJBFNCP-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN CC(=O)Nc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000178029937 1428945082 /nfs/dbraw/zinc/94/50/82/1428945082.db2.gz NWUXAIHKAMCDJK-HNNXBMFYSA-N 0 1 387.505 3.036 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C[C@H]1CCOC1)C1CC1)N1CCCC1 ZINC000126761756 1415551609 /nfs/dbraw/zinc/55/16/09/1415551609.db2.gz IGEXXEBDSACLET-XLIONFOSSA-N 0 1 387.524 3.043 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC(OC(C)=O)CC1)c1ccccc1Cl ZINC000126762249 1415551814 /nfs/dbraw/zinc/55/18/14/1415551814.db2.gz IUPXUNXXMZIMBE-LJQANCHMSA-N 0 1 395.931 3.460 20 0 GGADMN O=C(NOCc1cccnc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126775222 1415555810 /nfs/dbraw/zinc/55/58/10/1415555810.db2.gz AINPAVQYEXEYIZ-KRWDZBQOSA-N 0 1 394.397 3.106 20 0 GGADMN Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126825190 1415574101 /nfs/dbraw/zinc/57/41/01/1415574101.db2.gz CXXMGNJTLSSDOH-WOJBJXKFSA-N 0 1 391.471 3.015 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccnc(N2CCCCC2)c1)c1cccc(F)c1 ZINC000126833895 1415578018 /nfs/dbraw/zinc/57/80/18/1415578018.db2.gz PRPMEHHJXUVMOU-FQEVSTJZSA-N 0 1 399.514 3.313 20 0 GGADMN CC(C)n1ncc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1C1CC1 ZINC000126839869 1415580462 /nfs/dbraw/zinc/58/04/62/1415580462.db2.gz ZBXQUSMOHAFPJK-UHFFFAOYSA-N 0 1 381.524 3.341 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1cccc(F)c1 ZINC000126842831 1415582230 /nfs/dbraw/zinc/58/22/30/1415582230.db2.gz UCWUKXMQBAUDHF-HXUWFJFHSA-N 0 1 398.482 3.373 20 0 GGADMN COc1ccc(CCN(CC(=O)NCC(F)(F)F)Cc2ccccc2)cc1 ZINC000126862192 1415588108 /nfs/dbraw/zinc/58/81/08/1415588108.db2.gz COWQZAXZNSHMDC-UHFFFAOYSA-N 0 1 380.410 3.418 20 0 GGADMN O=C(CN1CCC[C@H](CNC(=O)c2ccccc2)C1)N(C1CC1)C1CCCC1 ZINC000178059687 1428962090 /nfs/dbraw/zinc/96/20/90/1428962090.db2.gz OGUYWHFOGLUEPR-GOSISDBHSA-N 0 1 383.536 3.062 20 0 GGADMN Cc1noc(C)c1N(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000126883655 1415594471 /nfs/dbraw/zinc/59/44/71/1415594471.db2.gz LECXSDGLYOGUMR-GOSISDBHSA-N 0 1 390.915 3.334 20 0 GGADMN Cc1noc(C)c1N(C)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000126883390 1415594881 /nfs/dbraw/zinc/59/48/81/1415594881.db2.gz LECXSDGLYOGUMR-SFHVURJKSA-N 0 1 390.915 3.334 20 0 GGADMN COC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000126890954 1415596990 /nfs/dbraw/zinc/59/69/90/1415596990.db2.gz VXULCXIAABEZCD-IRXDYDNUSA-N 0 1 385.430 3.004 20 0 GGADMN COc1ccc(NC(=O)N2CCN(C(C)C)CC2)cc1OCc1ccncc1 ZINC000126891369 1415597236 /nfs/dbraw/zinc/59/72/36/1415597236.db2.gz ABFSGPSUQHWTGV-UHFFFAOYSA-N 0 1 384.480 3.227 20 0 GGADMN C[C@@]1(CO)CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000126896034 1415598703 /nfs/dbraw/zinc/59/87/03/1415598703.db2.gz AFEPAAQWVTYQOP-PKOBYXMFSA-N 0 1 399.457 3.084 20 0 GGADMN O=C(/C=C/c1ccc(OC(F)F)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000178047744 1428955743 /nfs/dbraw/zinc/95/57/43/1428955743.db2.gz LJILNYHLEUKQPB-VMPITWQZSA-N 0 1 387.430 3.477 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000178048897 1428956444 /nfs/dbraw/zinc/95/64/44/1428956444.db2.gz RMVMCXXHCUWXNK-UHFFFAOYSA-N 0 1 382.420 3.331 20 0 GGADMN C[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)cc1 ZINC000126913035 1415605213 /nfs/dbraw/zinc/60/52/13/1415605213.db2.gz LAPCKLJEIJJHBE-OAHLLOKOSA-N 0 1 387.915 3.047 20 0 GGADMN C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178052642 1428957266 /nfs/dbraw/zinc/95/72/66/1428957266.db2.gz AXQSOIPVEHVYGP-RTBURBONSA-N 0 1 391.515 3.106 20 0 GGADMN CC(=O)c1ccccc1OCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178052730 1428958260 /nfs/dbraw/zinc/95/82/60/1428958260.db2.gz QGAGUXWDIRYVMY-LJQANCHMSA-N 0 1 380.488 3.410 20 0 GGADMN CC(C)(C)Oc1ccc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000126939611 1415614220 /nfs/dbraw/zinc/61/42/20/1415614220.db2.gz RYLFPSJLBWSDIK-WOJBJXKFSA-N 0 1 382.504 3.229 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000126939892 1415614559 /nfs/dbraw/zinc/61/45/59/1415614559.db2.gz AWYXCFMOFHFMNO-MUIFIZLQSA-N 0 1 384.442 3.424 20 0 GGADMN Cc1nc2ccccc2n1CCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000126941690 1415615062 /nfs/dbraw/zinc/61/50/62/1415615062.db2.gz BVHOGXHZUVFPHD-KRWDZBQOSA-N 0 1 376.504 3.298 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cc(-c4ccccc4)on3)n2)cc1 ZINC000126948780 1415616285 /nfs/dbraw/zinc/61/62/85/1415616285.db2.gz PTFIYTKQBQJUAM-UHFFFAOYSA-N 0 1 390.403 3.457 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cc(-c4ccccc4)on3)n[nH]2)cc1 ZINC000126948780 1415616290 /nfs/dbraw/zinc/61/62/90/1415616290.db2.gz PTFIYTKQBQJUAM-UHFFFAOYSA-N 0 1 390.403 3.457 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178055505 1428958924 /nfs/dbraw/zinc/95/89/24/1428958924.db2.gz UTGYWFYZVSDIIM-IYWMVGAKSA-N 0 1 385.552 3.021 20 0 GGADMN O=C(CCSc1ccc(F)cc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126955752 1415618026 /nfs/dbraw/zinc/61/80/26/1415618026.db2.gz CPOFFXONUGYXOK-MOPGFXCFSA-N 0 1 388.508 3.060 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1)c1ccccc1 ZINC000178055970 1428959599 /nfs/dbraw/zinc/95/95/99/1428959599.db2.gz DOHXMHGAMYCSBA-RBUKOAKNSA-N 0 1 379.504 3.006 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000126970376 1415621261 /nfs/dbraw/zinc/62/12/61/1415621261.db2.gz BJCKZYKYNOXABP-HZPDHXFCSA-N 0 1 396.384 3.210 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1nc(C)ccc1OC)N1CCCC1 ZINC000126971883 1415622136 /nfs/dbraw/zinc/62/21/36/1415622136.db2.gz UMCSZMBYNKLXEO-KRWDZBQOSA-N 0 1 384.480 3.366 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178057332 1428960687 /nfs/dbraw/zinc/96/06/87/1428960687.db2.gz YHPFOJXULDLLIC-WOJBJXKFSA-N 0 1 393.531 3.142 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000127001906 1415632038 /nfs/dbraw/zinc/63/20/38/1415632038.db2.gz XNNBKIWRPKTKBJ-LJQANCHMSA-N 0 1 389.540 3.355 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000127011065 1415635257 /nfs/dbraw/zinc/63/52/57/1415635257.db2.gz ODSUPBVISYNJOJ-YOEHRIQHSA-N 0 1 381.432 3.025 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000178086941 1428976143 /nfs/dbraw/zinc/97/61/43/1428976143.db2.gz KKGWIIATVFZRJH-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc2nccnc2c1)N1CCCC1 ZINC000127023044 1415641630 /nfs/dbraw/zinc/64/16/30/1415641630.db2.gz KQEYGALNZRXDRT-FQEVSTJZSA-N 0 1 376.460 3.205 20 0 GGADMN Cc1ncc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(Cl)c1Cl ZINC000127033196 1415643936 /nfs/dbraw/zinc/64/39/36/1415643936.db2.gz DCDXDXUKYSNFEC-GJZGRUSLSA-N 0 1 394.302 3.062 20 0 GGADMN Cc1ncc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(Cl)c1Cl ZINC000127033896 1415644577 /nfs/dbraw/zinc/64/45/77/1415644577.db2.gz DCDXDXUKYSNFEC-HUUCEWRRSA-N 0 1 394.302 3.062 20 0 GGADMN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1nnc2ccccc2c1O ZINC000127038615 1415645410 /nfs/dbraw/zinc/64/54/10/1415645410.db2.gz XXKQNBRXOLYBRC-UHFFFAOYSA-N 0 1 377.322 3.094 20 0 GGADMN O=C(c1n[nH]cc1Br)N(Cc1ccccc1)CC1CCOCC1 ZINC000127043413 1415646349 /nfs/dbraw/zinc/64/63/49/1415646349.db2.gz FRSXJMRPVUJWIP-UHFFFAOYSA-N 0 1 378.270 3.241 20 0 GGADMN Cc1ccc2c(CC(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)coc2c1C ZINC000127041971 1415646392 /nfs/dbraw/zinc/64/63/92/1415646392.db2.gz GYXVWYDCLPOGDI-NHCUHLMSSA-N 0 1 392.499 3.344 20 0 GGADMN Cc1ccc(-n2ncc(C(=O)N3CCN(C[C@H]4CCOC4)CC3)c2C(C)C)cc1 ZINC000178072958 1428969885 /nfs/dbraw/zinc/96/98/85/1428969885.db2.gz OCOUIRBPSRGCIM-LJQANCHMSA-N 0 1 396.535 3.098 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(CCO)Cc2ccccc2)N2CCCC2)c1 ZINC000127069874 1415654071 /nfs/dbraw/zinc/65/40/71/1415654071.db2.gz JWCIJJSXJGZLMM-JOCHJYFZSA-N 0 1 397.519 3.036 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NCC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000127080850 1415656994 /nfs/dbraw/zinc/65/69/94/1415656994.db2.gz KVEYRLUKRSBCSA-GOSISDBHSA-N 0 1 392.503 3.199 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000127081094 1415657123 /nfs/dbraw/zinc/65/71/23/1415657123.db2.gz KVEYRLUKRSBCSA-SFHVURJKSA-N 0 1 392.503 3.199 20 0 GGADMN C/C(=C\C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000178074650 1428970762 /nfs/dbraw/zinc/97/07/62/1428970762.db2.gz UPJHLYFVYQBRIK-ASNKMWSDSA-N 0 1 382.426 3.289 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000127100802 1415660657 /nfs/dbraw/zinc/66/06/57/1415660657.db2.gz UCTFHOYEKDRKFA-MRXNPFEDSA-N 0 1 391.865 3.361 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178076534 1428971430 /nfs/dbraw/zinc/97/14/30/1428971430.db2.gz NQCHEXLUAFPLRZ-NVXWUHKLSA-N 0 1 384.442 3.065 20 0 GGADMN COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000127104508 1415661317 /nfs/dbraw/zinc/66/13/17/1415661317.db2.gz IZMDKUYYDAKLGC-UHFFFAOYSA-N 0 1 395.387 3.165 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178076490 1428971587 /nfs/dbraw/zinc/97/15/87/1428971587.db2.gz NQCHEXLUAFPLRZ-RDJZCZTQSA-N 0 1 384.442 3.065 20 0 GGADMN Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127108535 1415662156 /nfs/dbraw/zinc/66/21/56/1415662156.db2.gz NAEOBQMJJVPWDO-OALUTQOASA-N 0 1 377.488 3.150 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000178077218 1428971747 /nfs/dbraw/zinc/97/17/47/1428971747.db2.gz GMYFKNZUNVUPGP-AWEZNQCLSA-N 0 1 377.410 3.103 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Oc2ccccc2)o1 ZINC000127114561 1415663856 /nfs/dbraw/zinc/66/38/56/1415663856.db2.gz FNYJGXSVJGGFHK-MOPGFXCFSA-N 0 1 392.455 3.437 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000735562094 1428972744 /nfs/dbraw/zinc/97/27/44/1428972744.db2.gz NLDPXHLCWAHOHX-ZDUSSCGKSA-N 0 1 384.871 3.022 20 0 GGADMN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000127152245 1415673193 /nfs/dbraw/zinc/67/31/93/1415673193.db2.gz RQQOEGWIKXRMHR-RTBURBONSA-N 0 1 392.613 3.109 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)C2)CC1 ZINC000127155984 1415674514 /nfs/dbraw/zinc/67/45/14/1415674514.db2.gz BERPVWPQNZRVJP-GOSISDBHSA-N 0 1 383.458 3.034 20 0 GGADMN Cc1cccc(OCCCCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000127176316 1415679092 /nfs/dbraw/zinc/67/90/92/1415679092.db2.gz YOVHKURDDXEPGT-VXKWHMMOSA-N 0 1 396.531 3.296 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000127196205 1415683618 /nfs/dbraw/zinc/68/36/18/1415683618.db2.gz QJCSMFDGKFXQBC-OAHLLOKOSA-N 0 1 376.460 3.222 20 0 GGADMN COc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(OC)c1OC ZINC000127195582 1415683981 /nfs/dbraw/zinc/68/39/81/1415683981.db2.gz WDLWSISBYNGDPR-HNNXBMFYSA-N 0 1 382.464 3.486 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000127200426 1415684422 /nfs/dbraw/zinc/68/44/22/1415684422.db2.gz NCWUTZABHAZHRF-VDGAXYAQSA-N 0 1 378.472 3.288 20 0 GGADMN O=C(c1ccccc1)N1CCCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000127207618 1415686942 /nfs/dbraw/zinc/68/69/42/1415686942.db2.gz OOYVGBVLULCFEC-UHFFFAOYSA-N 0 1 382.460 3.032 20 0 GGADMN Cc1cc(CCCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000127214541 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YJGNZGODWHSOPM-OAQYLSRUSA-N 0 1 394.515 3.368 20 0 GGADMN CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178125107 1428991175 /nfs/dbraw/zinc/99/11/75/1428991175.db2.gz IALXZNULAJARGK-WOJBJXKFSA-N 0 1 376.566 3.125 20 0 GGADMN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(C[C@H]5CCOC5)CC4)cc3c2C1 ZINC000178120872 1428990080 /nfs/dbraw/zinc/99/00/80/1428990080.db2.gz XPRXAPLLKIPZRE-IAGOWNOFSA-N 0 1 381.520 3.087 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCc2cn(C)c3ccccc23)C[C@H](C)O1 ZINC000127405067 1415767508 /nfs/dbraw/zinc/76/75/08/1415767508.db2.gz UDMIMZABGLRHLX-NSHGMRRFSA-N 0 1 383.536 3.211 20 0 GGADMN COc1ccc2oc(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)c(C)c2c1 ZINC000127408189 1415768113 /nfs/dbraw/zinc/76/81/13/1415768113.db2.gz ZCUUSSCBUMENCL-ROUUACIJSA-N 0 1 394.471 3.115 20 0 GGADMN O=C(c1cccc(OCc2cccs2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178088694 1428976556 /nfs/dbraw/zinc/97/65/56/1428976556.db2.gz QMISAYNESCGPRD-KRWDZBQOSA-N 0 1 386.517 3.121 20 0 GGADMN CC(C)[C@H](SCc1ccccc1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178125072 1428991488 /nfs/dbraw/zinc/99/14/88/1428991488.db2.gz IALXZNULAJARGK-PMACEKPBSA-N 0 1 376.566 3.125 20 0 GGADMN CC(C)c1cc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nn1C(C)(C)C ZINC000127416479 1415771475 /nfs/dbraw/zinc/77/14/75/1415771475.db2.gz ZKVHICCYLIPGEL-OALUTQOASA-N 0 1 398.551 3.127 20 0 GGADMN CC(C)(C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(Cl)c1 ZINC000127430025 1415775857 /nfs/dbraw/zinc/77/58/57/1415775857.db2.gz QSZAWABBRKDQDW-PMACEKPBSA-N 0 1 386.923 3.369 20 0 GGADMN CC(C)(C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(Cl)c1 ZINC000127430755 1415776832 /nfs/dbraw/zinc/77/68/32/1415776832.db2.gz QSZAWABBRKDQDW-WOJBJXKFSA-N 0 1 386.923 3.369 20 0 GGADMN COc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1OCC(=O)N1CCCC1 ZINC000127450482 1415782521 /nfs/dbraw/zinc/78/25/21/1415782521.db2.gz ZRQUYDDLQRJRNW-LJQANCHMSA-N 0 1 383.492 3.362 20 0 GGADMN CCOCCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000127450022 1415782809 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CC(C)c1ccc(OCCNC(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000129628670 1416240234 /nfs/dbraw/zinc/24/02/34/1416240234.db2.gz MSJJPWQQCWZOBD-RXVVDRJESA-N 0 1 384.524 3.085 20 0 GGADMN C[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccc2c(c1)OCO2 ZINC000129634632 1416240915 /nfs/dbraw/zinc/24/09/15/1416240915.db2.gz PORIMCOJIWWFSR-HNNXBMFYSA-N 0 1 378.432 3.101 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000178448345 1429079845 /nfs/dbraw/zinc/07/98/45/1429079845.db2.gz MQNHXWDSJSMFIN-VXKWHMMOSA-N 0 1 399.535 3.371 20 0 GGADMN FC(F)(F)c1cccc([C@H](NCc2ncn(-c3ccccc3)n2)c2nnc[nH]2)c1 ZINC000129667086 1416245704 /nfs/dbraw/zinc/24/57/04/1416245704.db2.gz HPBMYKDKYXCGIR-KRWDZBQOSA-N 0 1 399.380 3.283 20 0 GGADMN COc1cc(F)c(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1OC ZINC000129668319 1416245802 /nfs/dbraw/zinc/24/58/02/1416245802.db2.gz RSSTZYFOOKTDGN-UHFFFAOYSA-N 0 1 379.407 3.365 20 0 GGADMN Cc1cc(C)c(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C)c1 ZINC000129669859 1416245858 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GGADMN COC(=O)[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000129686530 1416248497 /nfs/dbraw/zinc/24/84/97/1416248497.db2.gz JJCCGNJGNYNPBR-HOTGVXAUSA-N 0 1 390.365 3.417 20 0 GGADMN COC(=O)[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000129686980 1416248581 /nfs/dbraw/zinc/24/85/81/1416248581.db2.gz JJCCGNJGNYNPBR-CVEARBPZSA-N 0 1 390.365 3.417 20 0 GGADMN CCCCCNC(=O)[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129694472 1416249961 /nfs/dbraw/zinc/24/99/61/1416249961.db2.gz INPYXSHXVTWAQO-WFASDCNBSA-N 0 1 383.418 3.197 20 0 GGADMN CCC(CC)NC(=O)[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129696709 1416250274 /nfs/dbraw/zinc/25/02/74/1416250274.db2.gz XYRRBHIOPYFKAW-NHYWBVRUSA-N 0 1 383.418 3.196 20 0 GGADMN CCC(CC)NC(=O)[C@@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129696912 1416250280 /nfs/dbraw/zinc/25/02/80/1416250280.db2.gz XYRRBHIOPYFKAW-IAQYHMDHSA-N 0 1 383.418 3.196 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129698219 1416250297 /nfs/dbraw/zinc/25/02/97/1416250297.db2.gz QZJRCXNTMHHUPF-HUBLWGQQSA-N 0 1 383.418 3.196 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccnc1Br ZINC000129718255 1416253288 /nfs/dbraw/zinc/25/32/88/1416253288.db2.gz NQGUHIXEYKOQRU-UHFFFAOYSA-N 0 1 375.226 3.016 20 0 GGADMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCCC(=O)N(C)C ZINC000129745434 1416257434 /nfs/dbraw/zinc/25/74/34/1416257434.db2.gz ZLVDKAFBNQXOQH-UHFFFAOYSA-N 0 1 388.821 3.421 20 0 GGADMN C[C@H](OCCCNC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000129757474 1416259306 /nfs/dbraw/zinc/25/93/06/1416259306.db2.gz UVBIXZFDCQENJX-ZJOUEHCJSA-N 0 1 384.524 3.050 20 0 GGADMN CCOC(=O)[C@@H](CC(C)C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129760875 1416259582 /nfs/dbraw/zinc/25/95/82/1416259582.db2.gz DYLHPOLZQVOUBJ-HUUCEWRRSA-N 0 1 384.402 3.480 20 0 GGADMN Cc1cccc(C)c1CNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000129766504 1416260468 /nfs/dbraw/zinc/26/04/68/1416260468.db2.gz LSDWKQAWBLMWOT-UHFFFAOYSA-N 0 1 397.544 3.107 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000129771728 1416261277 /nfs/dbraw/zinc/26/12/77/1416261277.db2.gz ZXWFVFGVWUFIHU-SFHVURJKSA-N 0 1 378.457 3.395 20 0 GGADMN COc1cc(CN2CCN(Cc3ccccc3N(C)C)CC2)cc(OC)c1OC ZINC000178469774 1429085048 /nfs/dbraw/zinc/08/50/48/1429085048.db2.gz NCGGDUSHORTMKP-UHFFFAOYSA-N 0 1 399.535 3.096 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[C@@H]1c1ccccc1 ZINC000129784285 1416263296 /nfs/dbraw/zinc/26/32/96/1416263296.db2.gz RSFJWYJYHCEPCG-UTKZUKDTSA-N 0 1 379.504 3.453 20 0 GGADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000129785475 1416263563 /nfs/dbraw/zinc/26/35/63/1416263563.db2.gz LQZVTUSKGOIRCS-UHFFFAOYSA-N 0 1 384.455 3.195 20 0 GGADMN C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)CS(=O)(=O)C1CCCC1 ZINC000129811347 1416267604 /nfs/dbraw/zinc/26/76/04/1416267604.db2.gz QARMFSBDJMZPFI-QGZVFWFLSA-N 0 1 392.565 3.035 20 0 GGADMN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000129828233 1416270431 /nfs/dbraw/zinc/27/04/31/1416270431.db2.gz LIVDBRNZIZUCCJ-HZMBPMFUSA-N 0 1 389.839 3.290 20 0 GGADMN CCCCOc1cccc(CNC(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000129827770 1416270450 /nfs/dbraw/zinc/27/04/50/1416270450.db2.gz UZSYZKJVHCWMKI-WIYYLYMNSA-N 0 1 384.524 3.261 20 0 GGADMN Cc1nn2c(nc(C)cc2C)c1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000129839030 1416271924 /nfs/dbraw/zinc/27/19/24/1416271924.db2.gz WEMRUNUGWLZRFV-UHFFFAOYSA-N 0 1 395.482 3.188 20 0 GGADMN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000129838337 1416272065 /nfs/dbraw/zinc/27/20/65/1416272065.db2.gz IQKQVKPMYOLPNA-WMLDXEAASA-N 0 1 379.501 3.130 20 0 GGADMN Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@H](C)[C@H](n4ccnc4)C3)c2C)no1 ZINC000129846199 1416273115 /nfs/dbraw/zinc/27/31/15/1416273115.db2.gz NKMHJYAAGGWQJN-AUUYWEPGSA-N 0 1 381.480 3.353 20 0 GGADMN O=C(Nc1nc2ccccc2s1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000129855949 1416275100 /nfs/dbraw/zinc/27/51/00/1416275100.db2.gz PCPVDCWVSYIPRJ-SJLPKXTDSA-N 0 1 396.516 3.301 20 0 GGADMN COc1cc(C)c([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)cc1OC ZINC000129869428 1416277283 /nfs/dbraw/zinc/27/72/83/1416277283.db2.gz VXZOWJMTMYKXFR-OAHLLOKOSA-N 0 1 392.521 3.113 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(CCCCO)C2CC2)CC1 ZINC000129886743 1416280075 /nfs/dbraw/zinc/28/00/75/1416280075.db2.gz CDVFFNQQXGSFGQ-UHFFFAOYSA-N 0 1 394.947 3.251 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CSC)N2CCCC2)cc1 ZINC000178462855 1429083091 /nfs/dbraw/zinc/08/30/91/1429083091.db2.gz XGPZANNBGYPZGQ-IEBWSBKVSA-N 0 1 377.554 3.369 20 0 GGADMN COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Br)s1 ZINC000129923468 1416285564 /nfs/dbraw/zinc/28/55/64/1416285564.db2.gz RQMQAPGDNNRZTI-VIFPVBQESA-N 0 1 379.235 3.480 20 0 GGADMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(Br)s1 ZINC000129923468 1416285571 /nfs/dbraw/zinc/28/55/71/1416285571.db2.gz RQMQAPGDNNRZTI-VIFPVBQESA-N 0 1 379.235 3.480 20 0 GGADMN CCc1noc(CC)c1CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000129943948 1416289158 /nfs/dbraw/zinc/28/91/58/1416289158.db2.gz ZYBIRXICPKABRC-UHFFFAOYSA-N 0 1 385.512 3.181 20 0 GGADMN CN(CCN1CCOC1=O)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000129950444 1416289991 /nfs/dbraw/zinc/28/99/91/1416289991.db2.gz WWIOXMWLWRHWNN-UHFFFAOYSA-N 0 1 382.489 3.485 20 0 GGADMN CC(C)[C@H](CCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O)NC(=O)OC(C)(C)C ZINC000178467016 1429083643 /nfs/dbraw/zinc/08/36/43/1429083643.db2.gz ZLVMFGPTCVHJCJ-UONOGXRCSA-N 0 1 395.466 3.021 20 0 GGADMN COc1ccccc1NC(=O)C(C#N)C(=O)c1oc(Br)cc1C ZINC000130001861 1416300577 /nfs/dbraw/zinc/30/05/77/1416300577.db2.gz LEFBLWQCVQOUGK-JTQLQIEISA-N 0 1 377.194 3.320 20 0 GGADMN Cc1cc(NC(=O)CN2CCC3(C2)CCCCC3)n(-c2nc(C)cc(C)n2)n1 ZINC000130003716 1416300923 /nfs/dbraw/zinc/30/09/23/1416300923.db2.gz SLABIGDUUZJYSJ-UHFFFAOYSA-N 0 1 382.512 3.182 20 0 GGADMN COc1ncncc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000130019947 1416303731 /nfs/dbraw/zinc/30/37/31/1416303731.db2.gz NWLJOABHRCRTJK-LRDDRELGSA-N 0 1 393.850 3.092 20 0 GGADMN COc1ncncc1NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000130019947 1416303734 /nfs/dbraw/zinc/30/37/34/1416303734.db2.gz NWLJOABHRCRTJK-LRDDRELGSA-N 0 1 393.850 3.092 20 0 GGADMN COc1cccc(Cc2nnc(NC(=O)c3cccc(-c4nnc[nH]4)c3)s2)c1 ZINC000130020593 1416303902 /nfs/dbraw/zinc/30/39/02/1416303902.db2.gz QHAUEAPPORCSHA-UHFFFAOYSA-N 0 1 392.444 3.175 20 0 GGADMN O=C(Nc1cccc(-n2ccnn2)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000130027454 1416304678 /nfs/dbraw/zinc/30/46/78/1416304678.db2.gz OURYYGQUKNCCMI-UHFFFAOYSA-N 0 1 376.464 3.007 20 0 GGADMN CN1CCN(CCCSc2nnc(-c3ccc(OC(F)F)cc3)o2)CC1 ZINC000130035821 1416306155 /nfs/dbraw/zinc/30/61/55/1416306155.db2.gz CIAYIFTZWNFOPN-UHFFFAOYSA-N 0 1 384.452 3.068 20 0 GGADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(O)cc1F ZINC000130039746 1416306844 /nfs/dbraw/zinc/30/68/44/1416306844.db2.gz DEBIIHYUUBZOGH-CQSZACIVSA-N 0 1 380.301 3.188 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NCc2ccc(CN(C)C)c(F)c2)n1 ZINC000130051829 1416308876 /nfs/dbraw/zinc/30/88/76/1416308876.db2.gz KRNUXFSRIVKASN-UHFFFAOYSA-N 0 1 396.470 3.407 20 0 GGADMN O=C(CCC1CCOCC1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000130050244 1416308942 /nfs/dbraw/zinc/30/89/42/1416308942.db2.gz MIEQQXJHJBVJOZ-INIZCTEOSA-N 0 1 382.386 3.236 20 0 GGADMN COc1ccc(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1Cl ZINC000130069507 1416311950 /nfs/dbraw/zinc/31/19/50/1416311950.db2.gz BGWOFTDWRZJBBV-SJORKVTESA-N 0 1 389.883 3.106 20 0 GGADMN COc1ccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1Cl ZINC000130069957 1416311975 /nfs/dbraw/zinc/31/19/75/1416311975.db2.gz BGWOFTDWRZJBBV-IAGOWNOFSA-N 0 1 389.883 3.106 20 0 GGADMN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000130070690 1416312455 /nfs/dbraw/zinc/31/24/55/1416312455.db2.gz KPEJVQFXBHGFFT-LJQANCHMSA-N 0 1 394.515 3.150 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)oc(=O)n4C)[nH]2)c1 ZINC000130074418 1416312963 /nfs/dbraw/zinc/31/29/63/1416312963.db2.gz FDMGXZMFHGTNIF-UHFFFAOYSA-N 0 1 378.388 3.091 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529466 1429085892 /nfs/dbraw/zinc/08/58/92/1429085892.db2.gz GMKFKPUXRBABLR-VXGBXAGGSA-N 0 1 380.427 3.302 20 0 GGADMN Cc1ccc2cccc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c2n1 ZINC000130157529 1416329242 /nfs/dbraw/zinc/32/92/42/1416329242.db2.gz MELWAFFVXDDBPN-IFMALSPDSA-N 0 1 389.499 3.156 20 0 GGADMN COC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000130190958 1416336289 /nfs/dbraw/zinc/33/62/89/1416336289.db2.gz UBRDSAMYKNSRCW-SECBINFHSA-N 0 1 380.784 3.288 20 0 GGADMN COC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000130190958 1416336296 /nfs/dbraw/zinc/33/62/96/1416336296.db2.gz UBRDSAMYKNSRCW-SECBINFHSA-N 0 1 380.784 3.288 20 0 GGADMN C[C@@H]1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000130197065 1416337313 /nfs/dbraw/zinc/33/73/13/1416337313.db2.gz IWHFCEYMLVMCPH-GOSISDBHSA-N 0 1 390.491 3.396 20 0 GGADMN COCc1cc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1F ZINC000178483354 1429087828 /nfs/dbraw/zinc/08/78/28/1429087828.db2.gz UMBKVEYCGHZNKS-HNNXBMFYSA-N 0 1 392.496 3.363 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000178484064 1429087945 /nfs/dbraw/zinc/08/79/45/1429087945.db2.gz ZITJCCAQMXPVMB-ROUUACIJSA-N 0 1 375.538 3.334 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000178484073 1429088016 /nfs/dbraw/zinc/08/80/16/1429088016.db2.gz ZITJCCAQMXPVMB-MSOLQXFVSA-N 0 1 375.538 3.334 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)nn1CCCOc1ccc(F)cc1 ZINC000130281850 1416351355 /nfs/dbraw/zinc/35/13/55/1416351355.db2.gz GCBWOJIMDZOHNI-LJQANCHMSA-N 0 1 376.476 3.324 20 0 GGADMN CCCc1[nH]ncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000130302797 1416354459 /nfs/dbraw/zinc/35/44/59/1416354459.db2.gz PBUKPCPCVKRBKB-UHFFFAOYSA-N 0 1 384.461 3.415 20 0 GGADMN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)o1 ZINC000178489231 1429089011 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20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCCOc2ccccc2)CC1 ZINC000131709024 1416601580 /nfs/dbraw/zinc/60/15/80/1416601580.db2.gz BWEBWKMPNZSKBE-GOSISDBHSA-N 0 1 382.508 3.375 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1F ZINC000131725625 1416605308 /nfs/dbraw/zinc/60/53/08/1416605308.db2.gz YQVYDLGCUQCGTK-HNNXBMFYSA-N 0 1 386.471 3.254 20 0 GGADMN O=C(Nc1cccc(CNC[C@H]2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000131742785 1416609156 /nfs/dbraw/zinc/60/91/56/1416609156.db2.gz ZRXDGKLOHQJSJR-GOSISDBHSA-N 0 1 392.908 3.259 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(OCC(F)F)n2)CC1 ZINC000131778333 1416618260 /nfs/dbraw/zinc/61/82/60/1416618260.db2.gz JRDSSDLZMDXCQO-CQSZACIVSA-N 0 1 390.434 3.076 20 0 GGADMN O=S1(=O)CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000131778604 1416618773 /nfs/dbraw/zinc/61/87/73/1416618773.db2.gz ZHNCHVQBMRPQDY-FQEVSTJZSA-N 0 1 381.501 3.206 20 0 GGADMN CCc1c(NC(=O)CN(CCc2ccccc2)C(C)=O)[nH]nc1-c1ccncc1 ZINC000131811790 1416626833 /nfs/dbraw/zinc/62/68/33/1416626833.db2.gz PWYJEXLLERHWCB-UHFFFAOYSA-N 0 1 391.475 3.064 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131826414 1416630527 /nfs/dbraw/zinc/63/05/27/1416630527.db2.gz OULRRIYSDKFYMX-DLBZAZTESA-N 0 1 394.943 3.377 20 0 GGADMN CCOCCN1CCN(C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@H]1CC ZINC000131848047 1416634200 /nfs/dbraw/zinc/63/42/00/1416634200.db2.gz LFAJFYXMMKBSFO-MRXNPFEDSA-N 0 1 396.919 3.263 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131856014 1416635504 /nfs/dbraw/zinc/63/55/04/1416635504.db2.gz HULRSFPWEQISRS-NRFANRHFSA-N 0 1 377.444 3.258 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000131856229 1416635757 /nfs/dbraw/zinc/63/57/57/1416635757.db2.gz HULRSFPWEQISRS-OAQYLSRUSA-N 0 1 377.444 3.258 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000131859526 1416636627 /nfs/dbraw/zinc/63/66/27/1416636627.db2.gz WIPASEKNDDSURX-MRXNPFEDSA-N 0 1 395.532 3.280 20 0 GGADMN Cc1nn(C)c2nc(C)cc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)c12 ZINC000131865717 1416637741 /nfs/dbraw/zinc/63/77/41/1416637741.db2.gz WYYKQNDJRDWDSG-KRWDZBQOSA-N 0 1 391.519 3.322 20 0 GGADMN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@H]1NCCc2ccccc21 ZINC000178584081 1429114406 /nfs/dbraw/zinc/11/44/06/1429114406.db2.gz KZYLDNMWZNDKDQ-SFHVURJKSA-N 0 1 394.866 3.019 20 0 GGADMN CCc1cc2c(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)cc(=O)oc2cc1[O-] ZINC000131870155 1416638324 /nfs/dbraw/zinc/63/83/24/1416638324.db2.gz OVDLUGCJUUAIGQ-OAHLLOKOSA-N 0 1 387.476 3.079 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc2cc(F)ccc2s1 ZINC000178583503 1429114515 /nfs/dbraw/zinc/11/45/15/1429114515.db2.gz TXFHAAPJZCVXHQ-GOSISDBHSA-N 0 1 384.476 3.189 20 0 GGADMN CC(C)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000131896088 1416644419 /nfs/dbraw/zinc/64/44/19/1416644419.db2.gz IPVUULHMSATSHQ-UHFFFAOYSA-N 0 1 398.916 3.399 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000131915675 1416650402 /nfs/dbraw/zinc/65/04/02/1416650402.db2.gz KFLFZNSBOZYKPS-FQEVSTJZSA-N 0 1 396.470 3.448 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(OC)c1 ZINC000131916438 1416650914 /nfs/dbraw/zinc/65/09/14/1416650914.db2.gz SCJPWTCTLYUAHJ-MRXNPFEDSA-N 0 1 398.507 3.124 20 0 GGADMN CSCc1noc(CCC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)n1 ZINC000178593233 1429115896 /nfs/dbraw/zinc/11/58/96/1429115896.db2.gz QTYPAPLEWQRAIN-UHFFFAOYSA-N 0 1 394.460 3.442 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000131930924 1416653689 /nfs/dbraw/zinc/65/36/89/1416653689.db2.gz OCCXUFXOJQIGIX-SFHVURJKSA-N 0 1 375.476 3.004 20 0 GGADMN CCN(C(=O)CN1CCC(OC[C@H]2CCOC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000131937242 1416655529 /nfs/dbraw/zinc/65/55/29/1416655529.db2.gz GQHIIUVHCTUFNW-MSOLQXFVSA-N 0 1 392.515 3.253 20 0 GGADMN CCN(C(=O)CN1CCC(OC[C@H]2CCOC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000131937009 1416655555 /nfs/dbraw/zinc/65/55/55/1416655555.db2.gz GQHIIUVHCTUFNW-ROUUACIJSA-N 0 1 392.515 3.253 20 0 GGADMN CC(C)CN(CC(C)(C)C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000131960977 1416660495 /nfs/dbraw/zinc/66/04/95/1416660495.db2.gz MJAWJPNWZMHZFS-UHFFFAOYSA-N 0 1 396.620 3.327 20 0 GGADMN COC1CCN(CCNC(=O)c2ccc(C)nc2Sc2ccccc2)CC1 ZINC000131962873 1416661108 /nfs/dbraw/zinc/66/11/08/1416661108.db2.gz OWSIQHSYDHMKJZ-UHFFFAOYSA-N 0 1 385.533 3.382 20 0 GGADMN COCc1cccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000131975428 1416664349 /nfs/dbraw/zinc/66/43/49/1416664349.db2.gz OKAZWFNRRGXACP-QGZVFWFLSA-N 0 1 382.508 3.253 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NCCN(C)Cc2ccc(F)cc2)n1 ZINC000131976994 1416664556 /nfs/dbraw/zinc/66/45/56/1416664556.db2.gz DTELBOHFNBGSAR-UHFFFAOYSA-N 0 1 396.470 3.277 20 0 GGADMN CSCc1ccc(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000131980838 1416665127 /nfs/dbraw/zinc/66/51/27/1416665127.db2.gz FJZWCNLVDLPNDK-PMACEKPBSA-N 0 1 385.533 3.307 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCN(CC2CC2)CC1 ZINC000178597273 1429117379 /nfs/dbraw/zinc/11/73/79/1429117379.db2.gz KAXXOMXTTUHUBQ-AWEZNQCLSA-N 0 1 388.512 3.304 20 0 GGADMN COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826193915 1429117979 /nfs/dbraw/zinc/11/79/79/1429117979.db2.gz USXRLFKSZLSYMO-IBGZPJMESA-N 0 1 399.470 3.206 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000132014192 1416673789 /nfs/dbraw/zinc/67/37/89/1416673789.db2.gz XAWQJTPXIRPGOU-IBGZPJMESA-N 0 1 394.479 3.436 20 0 GGADMN COc1ccc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826193915 1429117982 /nfs/dbraw/zinc/11/79/82/1429117982.db2.gz USXRLFKSZLSYMO-IBGZPJMESA-N 0 1 399.470 3.206 20 0 GGADMN COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826193915 1429117987 /nfs/dbraw/zinc/11/79/87/1429117987.db2.gz USXRLFKSZLSYMO-IBGZPJMESA-N 0 1 399.470 3.206 20 0 GGADMN C[C@@H](CNC(=O)/C=C/SCc1ccco1)N1CCN(c2ccccc2)CC1 ZINC000132016741 1416674255 /nfs/dbraw/zinc/67/42/55/1416674255.db2.gz WJQYJOGUZFVDDQ-DWCFMXGVSA-N 0 1 385.533 3.353 20 0 GGADMN COCCOC[C@H]1CCN([C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC000132027075 1416676787 /nfs/dbraw/zinc/67/67/87/1416676787.db2.gz ZFITWKPEODCGCN-MOPGFXCFSA-N 0 1 388.508 3.302 20 0 GGADMN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCCc1nc[nH]n1 ZINC000132057706 1416684090 /nfs/dbraw/zinc/68/40/90/1416684090.db2.gz XLOVPNMGMWOGSK-UHFFFAOYSA-N 0 1 391.431 3.114 20 0 GGADMN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)n1 ZINC000132063302 1416685320 /nfs/dbraw/zinc/68/53/20/1416685320.db2.gz HNOKTYUZYCDJTG-UHFFFAOYSA-N 0 1 376.825 3.427 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000132069673 1416687263 /nfs/dbraw/zinc/68/72/63/1416687263.db2.gz XOXRGLCSKOGHDW-UHFFFAOYSA-N 0 1 387.915 3.377 20 0 GGADMN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000132069911 1416687357 /nfs/dbraw/zinc/68/73/57/1416687357.db2.gz HKLVPZSTRFDVMM-ZRBLBEILSA-N 0 1 393.531 3.320 20 0 GGADMN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000132069911 1416687362 /nfs/dbraw/zinc/68/73/62/1416687362.db2.gz HKLVPZSTRFDVMM-ZRBLBEILSA-N 0 1 393.531 3.320 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000132076582 1416689374 /nfs/dbraw/zinc/68/93/74/1416689374.db2.gz FEKOKXHBBATQPQ-LLVKDONJSA-N 0 1 377.803 3.071 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000132080012 1416690111 /nfs/dbraw/zinc/69/01/11/1416690111.db2.gz QZWOUISZVHECIP-UHFFFAOYSA-N 0 1 377.803 3.071 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000132101522 1416696582 /nfs/dbraw/zinc/69/65/82/1416696582.db2.gz OMLKJOBMKBFKND-XMSQKQJNSA-N 0 1 396.535 3.381 20 0 GGADMN C[C@@H](NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1)C(=O)N(C)C ZINC000132134690 1416705338 /nfs/dbraw/zinc/70/53/38/1416705338.db2.gz DRSRRNNEIPMDST-CQSZACIVSA-N 0 1 399.457 3.047 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)CN2CCN(C)CC23CCCCC3)c1C ZINC000132147104 1416707372 /nfs/dbraw/zinc/70/73/72/1416707372.db2.gz BTESKWSDOVYSEZ-SFHVURJKSA-N 0 1 375.557 3.445 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132169849 1416711169 /nfs/dbraw/zinc/71/11/69/1416711169.db2.gz MRXNKKFEXSGDIA-APWZRJJASA-N 0 1 392.565 3.101 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000132170053 1416711324 /nfs/dbraw/zinc/71/13/24/1416711324.db2.gz MRXNKKFEXSGDIA-QFBILLFUSA-N 0 1 392.565 3.101 20 0 GGADMN Cc1cccc2nc(CNC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)[nH]c21 ZINC000132182092 1416713060 /nfs/dbraw/zinc/71/30/60/1416713060.db2.gz PSEKWSUBAIAEDL-KRWDZBQOSA-N 0 1 386.402 3.433 20 0 GGADMN O[C@H](CN1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000132186675 1416713421 /nfs/dbraw/zinc/71/34/21/1416713421.db2.gz ICJUKBFLCWXLKE-RDTXWAMCSA-N 0 1 384.314 3.000 20 0 GGADMN CC1(C)SC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000132198531 1416716023 /nfs/dbraw/zinc/71/60/23/1416716023.db2.gz ZTDVZJMSHRGCCM-UHFFFAOYSA-N 0 1 383.517 3.389 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@]1(CO)CCc2ccccc21 ZINC000132204391 1416716683 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/nfs/dbraw/zinc/01/64/12/1417016412.db2.gz IITMUPKELISDRZ-CVEARBPZSA-N 0 1 382.489 3.053 20 0 GGADMN CCc1noc(CC)c1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000134064703 1417017042 /nfs/dbraw/zinc/01/70/42/1417017042.db2.gz JHHNIWKIXMFSPK-OAHLLOKOSA-N 0 1 385.512 3.219 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(Cl)nc1 ZINC000134075775 1417018432 /nfs/dbraw/zinc/01/84/32/1417018432.db2.gz VOUBLVQSHWFKNP-JKSUJKDBSA-N 0 1 382.869 3.218 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1c[nH]c2ncccc12 ZINC000134078721 1417018533 /nfs/dbraw/zinc/01/85/33/1417018533.db2.gz QPCSSGPBGQMYHE-SJORKVTESA-N 0 1 387.461 3.046 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(Cl)nc1 ZINC000134076174 1417018705 /nfs/dbraw/zinc/01/87/05/1417018705.db2.gz VOUBLVQSHWFKNP-HZPDHXFCSA-N 0 1 382.869 3.218 20 0 GGADMN CC(C)c1nc([C@@H]2CCCN2C(=O)NCc2ccc(CN(C)C)c(F)c2)no1 ZINC000134080878 1417019057 /nfs/dbraw/zinc/01/90/57/1417019057.db2.gz NEPYIJWDXHQUEB-KRWDZBQOSA-N 0 1 389.475 3.440 20 0 GGADMN CC(C)c1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000134084007 1417019610 /nfs/dbraw/zinc/01/96/10/1417019610.db2.gz PKAWIWBIMNLTEO-FPOVZHCZSA-N 0 1 387.568 3.495 20 0 GGADMN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)C1 ZINC000134123333 1417025465 /nfs/dbraw/zinc/02/54/65/1417025465.db2.gz DMARSDKRUKCCSL-KRWDZBQOSA-N 0 1 394.581 3.337 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1F ZINC000134126419 1417026150 /nfs/dbraw/zinc/02/61/50/1417026150.db2.gz QWOYNVDTJRFIKC-IBGZPJMESA-N 0 1 389.471 3.371 20 0 GGADMN O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1CCCN1C1CCOCC1 ZINC000134130787 1417026612 /nfs/dbraw/zinc/02/66/12/1417026612.db2.gz LMBMUCFPORWZML-GOSISDBHSA-N 0 1 389.496 3.455 20 0 GGADMN O=C(CN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21)NCc1ccco1 ZINC000134142537 1417028379 /nfs/dbraw/zinc/02/83/79/1417028379.db2.gz ZEXGRBHMIMUPMW-XMMPIXPASA-N 0 1 390.483 3.232 20 0 GGADMN COc1cc(C)ccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000134171142 1417032987 /nfs/dbraw/zinc/03/29/87/1417032987.db2.gz FQHCYYHTHXSWQR-QGZVFWFLSA-N 0 1 382.508 3.423 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)N2CCCC2)o1 ZINC000134175552 1417033297 /nfs/dbraw/zinc/03/32/97/1417033297.db2.gz ILTBQWBZNHKDOH-SQGPQFPESA-N 0 1 393.553 3.079 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)C2)CC1 ZINC000134183848 1417034584 /nfs/dbraw/zinc/03/45/84/1417034584.db2.gz GAFHLTNFRGILJD-OAQYLSRUSA-N 0 1 398.938 3.254 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000134191334 1417035961 /nfs/dbraw/zinc/03/59/61/1417035961.db2.gz FONFVYSRVRSYHT-SFHVURJKSA-N 0 1 398.576 3.019 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000134192790 1417035989 /nfs/dbraw/zinc/03/59/89/1417035989.db2.gz QFROXTSNMKRFPB-IRXDYDNUSA-N 0 1 381.561 3.403 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(S(C)(=O)=O)cc(C)c3C)n2)cc1 ZINC000134258094 1417045170 /nfs/dbraw/zinc/04/51/70/1417045170.db2.gz MVRZBUFPFUJXPA-UHFFFAOYSA-N 0 1 384.461 3.053 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000134259474 1417045697 /nfs/dbraw/zinc/04/56/97/1417045697.db2.gz NKYVKAUBRCXHIP-FUHWJXTLSA-N 0 1 393.422 3.077 20 0 GGADMN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000134269257 1417046771 /nfs/dbraw/zinc/04/67/71/1417046771.db2.gz OMTCUVSTYUZWQH-INIZCTEOSA-N 0 1 393.447 3.347 20 0 GGADMN Cc1ccnc([C@@H](NC(=O)c2ccc(CN3CCSCC3)cc2)C2CC2)n1 ZINC000134266515 1417046806 /nfs/dbraw/zinc/04/68/06/1417046806.db2.gz MEBIPHLHEOTZNK-IBGZPJMESA-N 0 1 382.533 3.215 20 0 GGADMN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1nnc2ccccc2c1O ZINC000134270508 1417047674 /nfs/dbraw/zinc/04/76/74/1417047674.db2.gz COYNSVOCECXUQK-UHFFFAOYSA-N 0 1 383.820 3.347 20 0 GGADMN Cc1ccc(-c2cncc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c2)cc1 ZINC000134275852 1417048053 /nfs/dbraw/zinc/04/80/53/1417048053.db2.gz XUMYMMLWWSUKPB-UHFFFAOYSA-N 0 1 387.487 3.456 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134314066 1417054652 /nfs/dbraw/zinc/05/46/52/1417054652.db2.gz WZVRXNMIRJOOHC-UHFFFAOYSA-N 0 1 395.503 3.391 20 0 GGADMN COc1ccccc1CNC(=O)CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000134332264 1417056785 /nfs/dbraw/zinc/05/67/85/1417056785.db2.gz ATRFNDHJRHNVAM-UHFFFAOYSA-N 0 1 382.504 3.119 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000134366139 1417061430 /nfs/dbraw/zinc/06/14/30/1417061430.db2.gz HBXSLZMOABDPOR-YOEHRIQHSA-N 0 1 377.916 3.426 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000134366114 1417061571 /nfs/dbraw/zinc/06/15/71/1417061571.db2.gz HBXSLZMOABDPOR-WMLDXEAASA-N 0 1 377.916 3.426 20 0 GGADMN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H](CO)C(C)(C)C ZINC000134374926 1417062409 /nfs/dbraw/zinc/06/24/09/1417062409.db2.gz OEQOQOOTYWLYNH-KRWDZBQOSA-N 0 1 389.521 3.278 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)[nH]n1 ZINC000134382262 1417062932 /nfs/dbraw/zinc/06/29/32/1417062932.db2.gz FYUBWBZPQXPQFQ-UHFFFAOYSA-N 0 1 397.389 3.348 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000134405655 1417066039 /nfs/dbraw/zinc/06/60/39/1417066039.db2.gz QNGJNLQBKMIEHM-UHFFFAOYSA-N 0 1 392.421 3.390 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)CN(C)[C@H](CO)C(C)(C)C)cc1 ZINC000134414474 1417067098 /nfs/dbraw/zinc/06/70/98/1417067098.db2.gz GHAGPUMUUMOZRA-WOJBJXKFSA-N 0 1 376.541 3.478 20 0 GGADMN CC[C@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCC[NH2+]1 ZINC000134418463 1417067118 /nfs/dbraw/zinc/06/71/18/1417067118.db2.gz WSXNOWORWVIHSA-HXUWFJFHSA-N 0 1 387.505 3.267 20 0 GGADMN CC[C@@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CCC[NH2+]1 ZINC000134418484 1417067211 /nfs/dbraw/zinc/06/72/11/1417067211.db2.gz WSXNOWORWVIHSA-FQEVSTJZSA-N 0 1 387.505 3.267 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nnc(C=Cc3ccco3)s2)[nH]n1 ZINC000134460336 1417071504 /nfs/dbraw/zinc/07/15/04/1417071504.db2.gz WYSYXQAMIXMBAQ-VOTSOKGWSA-N 0 1 395.448 3.294 20 0 GGADMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000134459239 1417071608 /nfs/dbraw/zinc/07/16/08/1417071608.db2.gz JZRJVJSKRWRHRT-RHSMWYFYSA-N 0 1 379.382 3.449 20 0 GGADMN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)NC[C@H](c1ccco1)N1CCCC1 ZINC000134494573 1417077101 /nfs/dbraw/zinc/07/71/01/1417077101.db2.gz GWPWTJVJMBSUIB-SJORKVTESA-N 0 1 395.862 3.242 20 0 GGADMN CC[C@H](CNC(=O)c1cccnc1Br)N1CCc2ccccc2C1 ZINC000134504521 1417077815 /nfs/dbraw/zinc/07/78/15/1417077815.db2.gz QCGJHZPTUNBPRP-MRXNPFEDSA-N 0 1 388.309 3.411 20 0 GGADMN CC[C@@H](CNC(=O)c1cccnc1Br)N1CCc2ccccc2C1 ZINC000134504496 1417077980 /nfs/dbraw/zinc/07/79/80/1417077980.db2.gz QCGJHZPTUNBPRP-INIZCTEOSA-N 0 1 388.309 3.411 20 0 GGADMN O=C(NCC1(c2ccccc2Cl)CC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000134526533 1417082203 /nfs/dbraw/zinc/08/22/03/1417082203.db2.gz JMWRKOWHEXAFIZ-QGZVFWFLSA-N 0 1 391.943 3.125 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)Nc2nc(-c3ccco3)n[nH]2)CC1 ZINC000134537776 1417084028 /nfs/dbraw/zinc/08/40/28/1417084028.db2.gz XVCFYVVDIKKSNJ-LBPRGKRZSA-N 0 1 387.440 3.040 20 0 GGADMN CC(=O)c1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)nc1C ZINC000134544750 1417084841 /nfs/dbraw/zinc/08/48/41/1417084841.db2.gz IXAZPEWKZIUFGU-UHFFFAOYSA-N 0 1 395.488 3.095 20 0 GGADMN O=C(NCCC[C@H]1CCCC[C@H]1O)c1ccc(CN2CCSCC2)cc1 ZINC000134561065 1417087515 /nfs/dbraw/zinc/08/75/15/1417087515.db2.gz KTPJJBKRRXQFJC-UYAOXDASSA-N 0 1 376.566 3.297 20 0 GGADMN CCOC(=O)Nc1ccc(Br)cc1NC(=O)Cc1cc(C)[nH]n1 ZINC000134567473 1417088391 /nfs/dbraw/zinc/08/83/91/1417088391.db2.gz RIYQSKOFJLVPDA-UHFFFAOYSA-N 0 1 381.230 3.230 20 0 GGADMN CCCC[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(=O)Nc1cc(C)on1 ZINC000134571688 1417089591 /nfs/dbraw/zinc/08/95/91/1417089591.db2.gz VJEMRSKUOMRHKC-RBUKOAKNSA-N 0 1 398.507 3.261 20 0 GGADMN C[C@H](CCS(C)(=O)=O)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000134577047 1417090529 /nfs/dbraw/zinc/09/05/29/1417090529.db2.gz RBGZIXPZLATEPJ-LLVKDONJSA-N 0 1 386.857 3.421 20 0 GGADMN C[C@@H](O)c1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000178738769 1429157781 /nfs/dbraw/zinc/15/77/81/1429157781.db2.gz FJBILUPJTFOGBY-IAGOWNOFSA-N 0 1 382.508 3.160 20 0 GGADMN CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000134616021 1417096718 /nfs/dbraw/zinc/09/67/18/1417096718.db2.gz MSLKLZIIVGTTBU-SFHVURJKSA-N 0 1 389.459 3.336 20 0 GGADMN CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000134616021 1417096724 /nfs/dbraw/zinc/09/67/24/1417096724.db2.gz MSLKLZIIVGTTBU-SFHVURJKSA-N 0 1 389.459 3.336 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134616614 1417097216 /nfs/dbraw/zinc/09/72/16/1417097216.db2.gz OVCYHSAJUNYBSO-MRXNPFEDSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134616614 1417097224 /nfs/dbraw/zinc/09/72/24/1417097224.db2.gz OVCYHSAJUNYBSO-MRXNPFEDSA-N 0 1 393.422 3.221 20 0 GGADMN O=C(Nc1ccccc1Cl)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134617516 1417097627 /nfs/dbraw/zinc/09/76/27/1417097627.db2.gz ALJBYLDWUNSNLV-INIZCTEOSA-N 0 1 395.850 3.427 20 0 GGADMN O=C(Nc1ccccc1Cl)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134617516 1417097634 /nfs/dbraw/zinc/09/76/34/1417097634.db2.gz ALJBYLDWUNSNLV-INIZCTEOSA-N 0 1 395.850 3.427 20 0 GGADMN O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134618730 1417097974 /nfs/dbraw/zinc/09/79/74/1417097974.db2.gz UFIZOHSLNZPXJY-MRXNPFEDSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134618730 1417097976 /nfs/dbraw/zinc/09/79/76/1417097976.db2.gz UFIZOHSLNZPXJY-MRXNPFEDSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134618681 1417098250 /nfs/dbraw/zinc/09/82/50/1417098250.db2.gz WAAIDVNWJNFXSV-MRXNPFEDSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134618681 1417098257 /nfs/dbraw/zinc/09/82/57/1417098257.db2.gz WAAIDVNWJNFXSV-MRXNPFEDSA-N 0 1 397.385 3.052 20 0 GGADMN Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000134618639 1417098334 /nfs/dbraw/zinc/09/83/34/1417098334.db2.gz OYSPROUUQKCRML-SFHVURJKSA-N 0 1 389.459 3.391 20 0 GGADMN Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000134618639 1417098340 /nfs/dbraw/zinc/09/83/40/1417098340.db2.gz OYSPROUUQKCRML-SFHVURJKSA-N 0 1 389.459 3.391 20 0 GGADMN O=C(NCCOc1ncccc1Cl)NC[C@H](c1ccco1)N1CCCCC1 ZINC000134629175 1417100055 /nfs/dbraw/zinc/10/00/55/1417100055.db2.gz DMDGRNRYZXABAC-MRXNPFEDSA-N 0 1 392.887 3.233 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2C=CCCC2)c1 ZINC000134634881 1417102042 /nfs/dbraw/zinc/10/20/42/1417102042.db2.gz GVBBULLQXRAPCC-MRXNPFEDSA-N 0 1 386.473 3.335 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134637606 1417102750 /nfs/dbraw/zinc/10/27/50/1417102750.db2.gz AQHLHIIKQXWSJR-PKOBYXMFSA-N 0 1 389.540 3.331 20 0 GGADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)Cc1ccccc1 ZINC000134648068 1417104161 /nfs/dbraw/zinc/10/41/61/1417104161.db2.gz DMTVAHAFEZLPRR-FUHWJXTLSA-N 0 1 375.513 3.023 20 0 GGADMN COCCC1(CNC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)CCCC1 ZINC000134645963 1417104227 /nfs/dbraw/zinc/10/42/27/1417104227.db2.gz HJXNHPXNXBSJGJ-IBGZPJMESA-N 0 1 377.529 3.194 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)Cc1ccccc1 ZINC000134648109 1417104467 /nfs/dbraw/zinc/10/44/67/1417104467.db2.gz DMTVAHAFEZLPRR-WMZOPIPTSA-N 0 1 375.513 3.023 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1F ZINC000134665401 1417109497 /nfs/dbraw/zinc/10/94/97/1417109497.db2.gz UVLAUGZIVGBCKC-HIFRSBDPSA-N 0 1 380.460 3.490 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000134669613 1417110292 /nfs/dbraw/zinc/11/02/92/1417110292.db2.gz XWNNTINHSVQQTE-HZPDHXFCSA-N 0 1 379.545 3.298 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(-c2ncco2)ccc1C ZINC000134677525 1417111546 /nfs/dbraw/zinc/11/15/46/1417111546.db2.gz BMKVWXKVTXALEA-UHFFFAOYSA-N 0 1 390.392 3.377 20 0 GGADMN CCc1n[nH]c(=O)c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1CC ZINC000134681115 1417112211 /nfs/dbraw/zinc/11/22/11/1417112211.db2.gz IJHCERNSYQJYBX-UHFFFAOYSA-N 0 1 377.404 3.283 20 0 GGADMN CN1CCO[C@H]([C@H](NCc2cccnc2-n2cccn2)c2ccc(Cl)cc2)C1 ZINC000134690810 1417112871 /nfs/dbraw/zinc/11/28/71/1417112871.db2.gz OARKJHZVNPRMHB-VQTJNVASSA-N 0 1 397.910 3.082 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)c2cnc([C@@H]3CCCO3)s2)CC1 ZINC000134707673 1417115407 /nfs/dbraw/zinc/11/54/07/1417115407.db2.gz GXYGNPCIHLEGQD-KRWDZBQOSA-N 0 1 386.521 3.389 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC000134731100 1417117616 /nfs/dbraw/zinc/11/76/16/1417117616.db2.gz XGHCXCGQYRSHEE-QGZVFWFLSA-N 0 1 383.467 3.076 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1F ZINC000134780169 1417124857 /nfs/dbraw/zinc/12/48/57/1417124857.db2.gz UYYIWIBBUJQGIA-FPOVZHCZSA-N 0 1 388.458 3.478 20 0 GGADMN C[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1noc(-c2ccccc2)n1 ZINC000134781913 1417125087 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CC[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1OC(F)F ZINC000178803310 1429174931 /nfs/dbraw/zinc/17/49/31/1429174931.db2.gz JDUFSJDVVYMVJQ-JKSUJKDBSA-N 0 1 378.423 3.258 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CC[C@]3(CCOC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136474404 1417320067 /nfs/dbraw/zinc/32/00/67/1417320067.db2.gz OKSCLAGWVBSHSS-BPAFIMBUSA-N 0 1 395.906 3.294 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000136472825 1417320172 /nfs/dbraw/zinc/32/01/72/1417320172.db2.gz DHEXAYURFWQUDA-IIDMSEBBSA-N 0 1 383.895 3.292 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Br)n1 ZINC000136519710 1417323506 /nfs/dbraw/zinc/32/35/06/1417323506.db2.gz ZVZXKDVLQXJFAA-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(N[C@@H]1CCCc2sccc21)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000136546297 1417325289 /nfs/dbraw/zinc/32/52/89/1417325289.db2.gz TWGYUKRNAWEDLH-MISYRCLQSA-N 0 1 399.560 3.308 20 0 GGADMN CCCCCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(C)C ZINC000136558745 1417326441 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GGADMN O=C(CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)Nc1ccccc1F ZINC000136688607 1417339056 /nfs/dbraw/zinc/33/90/56/1417339056.db2.gz GTYKEQDUJJZHPH-MRXNPFEDSA-N 0 1 393.344 3.280 20 0 GGADMN O=C(CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 ZINC000136695567 1417339927 /nfs/dbraw/zinc/33/99/27/1417339927.db2.gz SPROIUDMDVOBJS-INIZCTEOSA-N 0 1 393.344 3.280 20 0 GGADMN C[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000136700782 1417340334 /nfs/dbraw/zinc/34/03/34/1417340334.db2.gz UOGGRAWCMRQPOV-CZUORRHYSA-N 0 1 395.429 3.150 20 0 GGADMN CCO[C@@H](C)c1noc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136701613 1417340456 /nfs/dbraw/zinc/34/04/56/1417340456.db2.gz OQCSIZAZCMYFIO-IINYFYTJSA-N 0 1 396.373 3.183 20 0 GGADMN C[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000136700741 1417340576 /nfs/dbraw/zinc/34/05/76/1417340576.db2.gz UOGGRAWCMRQPOV-BBRMVZONSA-N 0 1 395.429 3.150 20 0 GGADMN C[C@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000136705323 1417340598 /nfs/dbraw/zinc/34/05/98/1417340598.db2.gz RPUIZFHNRPFTNR-XJKSGUPXSA-N 0 1 395.429 3.294 20 0 GGADMN Cc1ccccc1NC(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136702419 1417340615 /nfs/dbraw/zinc/34/06/15/1417340615.db2.gz TYUDXVJTWOHDEO-KRWDZBQOSA-N 0 1 389.381 3.450 20 0 GGADMN O=C(CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000136707056 1417341058 /nfs/dbraw/zinc/34/10/58/1417341058.db2.gz VFTDXHVSLGXCBP-INIZCTEOSA-N 0 1 393.344 3.280 20 0 GGADMN Cc1ccc(NC(=O)CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136706897 1417341111 /nfs/dbraw/zinc/34/11/11/1417341111.db2.gz MUTUUCNBNPZKBV-KRWDZBQOSA-N 0 1 389.381 3.450 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000136745024 1417342699 /nfs/dbraw/zinc/34/26/99/1417342699.db2.gz BXHDKGNSVJXTMI-WOJBJXKFSA-N 0 1 388.556 3.281 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cccc(Br)n2)N2CCCC2)o1 ZINC000136807408 1417347316 /nfs/dbraw/zinc/34/73/16/1417347316.db2.gz KLRWDXIOXOMNAY-CQSZACIVSA-N 0 1 378.270 3.312 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCN1C[C@@H](C)O ZINC000136845911 1417350026 /nfs/dbraw/zinc/35/00/26/1417350026.db2.gz CJCDNDAGHJGVML-NVXWUHKLSA-N 0 1 393.503 3.456 20 0 GGADMN CC(=O)c1ccc(NC(=O)c2cc(I)ccc2O)cc1 ZINC000136885534 1417352722 /nfs/dbraw/zinc/35/27/22/1417352722.db2.gz LWQPONUHJQDMKV-UHFFFAOYSA-N 0 1 381.169 3.452 20 0 GGADMN Cc1ccc(CNC(=O)Cc2[nH]nc3ccccc32)c(OC[C@H]2CCCO2)c1 ZINC000136914131 1417354453 /nfs/dbraw/zinc/35/44/53/1417354453.db2.gz PJTKTRLGVOJYNG-QGZVFWFLSA-N 0 1 379.460 3.288 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CCO1 ZINC000136913582 1417354470 /nfs/dbraw/zinc/35/44/70/1417354470.db2.gz XNRVSJYJFBOEQG-MJGOQNOKSA-N 0 1 375.513 3.043 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1cnn(C)c1C)c1ccccc1Cl ZINC000136917515 1417354688 /nfs/dbraw/zinc/35/46/88/1417354688.db2.gz SNPLLFUGRYIEBF-SFHVURJKSA-N 0 1 377.920 3.264 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1cnn(C)c1C)c1ccccc1Cl ZINC000136917556 1417354967 /nfs/dbraw/zinc/35/49/67/1417354967.db2.gz SNPLLFUGRYIEBF-GOSISDBHSA-N 0 1 377.920 3.264 20 0 GGADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CC1 ZINC000136943823 1417356677 /nfs/dbraw/zinc/35/66/77/1417356677.db2.gz YPRDHLBXUACRBK-LSDHHAIUSA-N 0 1 394.537 3.216 20 0 GGADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CC1 ZINC000136943795 1417356863 /nfs/dbraw/zinc/35/68/63/1417356863.db2.gz YPRDHLBXUACRBK-HUUCEWRRSA-N 0 1 394.537 3.216 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2c2cccn2C)CC1 ZINC000178811809 1429177994 /nfs/dbraw/zinc/17/79/94/1429177994.db2.gz FEGXWVMCSRLHBY-LAUBAEHRSA-N 0 1 381.524 3.492 20 0 GGADMN CCOc1c(OC)cc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1OC ZINC000137016295 1417362947 /nfs/dbraw/zinc/36/29/47/1417362947.db2.gz NAJIKZFDCYRKPL-UHFFFAOYSA-N 0 1 389.477 3.033 20 0 GGADMN CCOc1c(OC)cc(C[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1OC ZINC000137016295 1417362955 /nfs/dbraw/zinc/36/29/55/1417362955.db2.gz NAJIKZFDCYRKPL-UHFFFAOYSA-N 0 1 389.477 3.033 20 0 GGADMN C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1nc(=O)c2sccc2[n-]1 ZINC000137023642 1417363325 /nfs/dbraw/zinc/36/33/25/1417363325.db2.gz IFQAHUPDSOYYNK-UHFFFAOYSA-N 0 1 387.415 3.285 20 0 GGADMN C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1nc(=O)c2sccc2[n-]1 ZINC000137023642 1417363330 /nfs/dbraw/zinc/36/33/30/1417363330.db2.gz IFQAHUPDSOYYNK-UHFFFAOYSA-N 0 1 387.415 3.285 20 0 GGADMN Cc1nc(CN2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)oc1C ZINC000137073039 1417366446 /nfs/dbraw/zinc/36/64/46/1417366446.db2.gz MEOFGMJMUZTMFS-UHFFFAOYSA-N 0 1 384.524 3.445 20 0 GGADMN COc1ccnc(N2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000137100233 1417367721 /nfs/dbraw/zinc/36/77/21/1417367721.db2.gz HOKQRRMKRRXENF-UHFFFAOYSA-N 0 1 382.508 3.248 20 0 GGADMN CCN(c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1)C(C)C ZINC000137178404 1417373494 /nfs/dbraw/zinc/37/34/94/1417373494.db2.gz PTTZFACLBWKPAX-UHFFFAOYSA-N 0 1 392.525 3.270 20 0 GGADMN CC1CC[NH+](Cc2cccc(CNC(=O)c3sccc3-c3nnn[n-]3)c2)CC1 ZINC000736277835 1429179214 /nfs/dbraw/zinc/17/92/14/1429179214.db2.gz ZDWHYYOTCMMMQY-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN CCCOc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c(C)c1 ZINC000137298580 1417380244 /nfs/dbraw/zinc/38/02/44/1417380244.db2.gz RWUDIDOHUKMDIW-UHFFFAOYSA-N 0 1 379.482 3.133 20 0 GGADMN CCOc1ccc(NC(=O)CCN2CCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000137467943 1417387411 /nfs/dbraw/zinc/38/74/11/1417387411.db2.gz YUJIZSULZPAPTQ-GOSISDBHSA-N 0 1 382.508 3.188 20 0 GGADMN CC1CCN(CC(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000137479779 1417387599 /nfs/dbraw/zinc/38/75/99/1417387599.db2.gz LQZBCAMZWRRRLP-UHFFFAOYSA-N 0 1 392.931 3.138 20 0 GGADMN CC(C)c1ccc(CCN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000137557697 1417390136 /nfs/dbraw/zinc/39/01/36/1417390136.db2.gz OKAWZESEEUZKFO-UHFFFAOYSA-N 0 1 396.560 3.240 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000137678850 1417392288 /nfs/dbraw/zinc/39/22/88/1417392288.db2.gz BNPHDJCCWGYJPX-UHFFFAOYSA-N 0 1 384.524 3.041 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1sccc1-c1nnn[n-]1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773690 1429183981 /nfs/dbraw/zinc/18/39/81/1429183981.db2.gz XWQIFXAAVVGOOX-HOCLYGCPSA-N 0 1 398.536 3.424 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)cn1C ZINC000137707596 1417392819 /nfs/dbraw/zinc/39/28/19/1417392819.db2.gz IKCUZNPMQWXTNK-UHFFFAOYSA-N 0 1 385.445 3.356 20 0 GGADMN CCOCc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000137724448 1417393632 /nfs/dbraw/zinc/39/36/32/1417393632.db2.gz AFSTYKSKKNQKQD-UHFFFAOYSA-N 0 1 383.473 3.063 20 0 GGADMN CC(C)(C)OC(=O)c1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c(F)c1 ZINC000138319368 1417410706 /nfs/dbraw/zinc/41/07/06/1417410706.db2.gz XTJUVVKZLKHTGY-HNNXBMFYSA-N 0 1 375.444 3.259 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000138355556 1417412408 /nfs/dbraw/zinc/41/24/08/1417412408.db2.gz IULDAMLWPYIFLL-UHFFFAOYSA-N 0 1 382.464 3.050 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(C)C2Cc3ccccc3C2)c1 ZINC000138434038 1417414494 /nfs/dbraw/zinc/41/44/94/1417414494.db2.gz WUNJQJRYFLXOEF-JOCHJYFZSA-N 0 1 394.515 3.467 20 0 GGADMN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138580007 1417426215 /nfs/dbraw/zinc/42/62/15/1417426215.db2.gz HIHVVVSIMWWWIB-LPHOPBHVSA-N 0 1 378.538 3.148 20 0 GGADMN Cn1ncc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1C(F)(F)F ZINC000138598941 1417428002 /nfs/dbraw/zinc/42/80/02/1417428002.db2.gz JASXSITUAIQFPF-UHFFFAOYSA-N 0 1 384.427 3.240 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(Cn2cncn2)cc1 ZINC000138617502 1417428564 /nfs/dbraw/zinc/42/85/64/1417428564.db2.gz QITZPDKCEAXQQU-UHFFFAOYSA-N 0 1 393.516 3.128 20 0 GGADMN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138621381 1417428797 /nfs/dbraw/zinc/42/87/97/1417428797.db2.gz XZPGSNMPPKITNX-QRWLVFNGSA-N 0 1 384.501 3.402 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(=O)[nH]c2ccccc21 ZINC000138656766 1417431724 /nfs/dbraw/zinc/43/17/24/1417431724.db2.gz WKBJSGZDKPNHAL-UHFFFAOYSA-N 0 1 379.485 3.329 20 0 GGADMN O=C(CNC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000138803931 1417438072 /nfs/dbraw/zinc/43/80/72/1417438072.db2.gz PXASZAMQJCJDPR-HXUWFJFHSA-N 0 1 399.441 3.171 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1C[C@@H](CO)OC[C@@H]1C ZINC000138811915 1417438360 /nfs/dbraw/zinc/43/83/60/1417438360.db2.gz DEXZMPMEKLLJDJ-HOCLYGCPSA-N 0 1 382.932 3.265 20 0 GGADMN CC(C)[C@H](CCN(C)Cc1cc(=O)n2ccsc2n1)NC(=O)OC(C)(C)C ZINC000178819824 1429182379 /nfs/dbraw/zinc/18/23/79/1429182379.db2.gz DVQSEZLXHZNCPM-HNNXBMFYSA-N 0 1 394.541 3.127 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@@H]1c1ccc(O)cc1)CC2 ZINC000138863833 1417440480 /nfs/dbraw/zinc/44/04/80/1417440480.db2.gz FVCNZGDTOHTQCK-HXUWFJFHSA-N 0 1 396.487 3.131 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000138910347 1417441564 /nfs/dbraw/zinc/44/15/64/1417441564.db2.gz WHZFEGUBGBPMIS-MJGOQNOKSA-N 0 1 392.565 3.457 20 0 GGADMN Cc1cc2oc(=O)cc(CN3CCC[C@@H](N4CCNC4=O)C3)c2cc1C(C)C ZINC000138996983 1417444606 /nfs/dbraw/zinc/44/46/06/1417444606.db2.gz JMQMOOKFECTTIE-QGZVFWFLSA-N 0 1 383.492 3.214 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000139012451 1417445209 /nfs/dbraw/zinc/44/52/09/1417445209.db2.gz SYICEJAFQUPZIA-UHFFFAOYSA-N 0 1 383.414 3.428 20 0 GGADMN Cc1ccc([C@@H](N[C@H](C)Cn2cccn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000139141318 1417449980 /nfs/dbraw/zinc/44/99/80/1417449980.db2.gz RZPTXILIIWZIRY-DYESRHJHSA-N 0 1 383.517 3.363 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000139178086 1417450644 /nfs/dbraw/zinc/45/06/44/1417450644.db2.gz CFPILIMKQRBBBH-UHFFFAOYSA-N 0 1 395.438 3.477 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000139330992 1417456912 /nfs/dbraw/zinc/45/69/12/1417456912.db2.gz POAYMMCRXQKWSH-UHFFFAOYSA-N 0 1 393.476 3.465 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC000139403989 1417458277 /nfs/dbraw/zinc/45/82/77/1417458277.db2.gz VNUMJUCOYFJDEC-IBGZPJMESA-N 0 1 391.466 3.091 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000139482988 1417461336 /nfs/dbraw/zinc/46/13/36/1417461336.db2.gz LWOLUNCSJSWOAK-KRWDZBQOSA-N 0 1 380.452 3.321 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)CCCCc2cn[nH]n2)cc1 ZINC000139494794 1417461477 /nfs/dbraw/zinc/46/14/77/1417461477.db2.gz XTMJRIDTNHAJJE-UHFFFAOYSA-N 0 1 387.484 3.223 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1Cl)N1CCN(CCc2ccccc2)CC1 ZINC000139583908 1417465826 /nfs/dbraw/zinc/46/58/26/1417465826.db2.gz FRTONUQAIXJQNR-GOSISDBHSA-N 0 1 385.939 3.205 20 0 GGADMN COc1ccc([C@H](NC(=O)CCCCc2cn[nH]n2)c2ccccc2OC)cc1 ZINC000139628200 1417466808 /nfs/dbraw/zinc/46/68/08/1417466808.db2.gz CLUAWJPGXPHNER-QFIPXVFZSA-N 0 1 394.475 3.441 20 0 GGADMN COc1nc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc2ccccc21 ZINC000139732205 1417471565 /nfs/dbraw/zinc/47/15/65/1417471565.db2.gz DYFAYGWJSWJPQO-UHFFFAOYSA-N 0 1 390.487 3.243 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1)[NH+](C)C ZINC000821995009 1429186795 /nfs/dbraw/zinc/18/67/95/1429186795.db2.gz UFQWNTRSGAQZIW-NSHDSACASA-N 0 1 386.843 3.201 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc(OC(C)(C)C)cc2)C1 ZINC000139853234 1417477805 /nfs/dbraw/zinc/47/78/05/1417477805.db2.gz AERVHHHYDGSCTM-LJQANCHMSA-N 0 1 377.529 3.020 20 0 GGADMN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C(=O)c1ccc2c(c1)CCC2 ZINC000139913743 1417480091 /nfs/dbraw/zinc/48/00/91/1417480091.db2.gz LOIGCRBPQQKTTJ-INIZCTEOSA-N 0 1 382.529 3.448 20 0 GGADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(-c2cccnc2)on1 ZINC000140005035 1417484317 /nfs/dbraw/zinc/48/43/17/1417484317.db2.gz DSGUVSUZEXVQMZ-OAHLLOKOSA-N 0 1 382.489 3.440 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(-c2cccnc2)on1 ZINC000140004877 1417484350 /nfs/dbraw/zinc/48/43/50/1417484350.db2.gz DSGUVSUZEXVQMZ-HNNXBMFYSA-N 0 1 382.489 3.440 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NCc2ccc(OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000140021661 1417485257 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CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000152196335 1418170215 /nfs/dbraw/zinc/17/02/15/1418170215.db2.gz LQKSLGRRBMSEDN-UHFFFAOYSA-N 0 1 380.341 3.273 20 0 GGADMN COc1cc(OC)c(CNCCOc2ccc(C(F)(F)F)cn2)c(OC)c1 ZINC000152206081 1418172953 /nfs/dbraw/zinc/17/29/53/1418172953.db2.gz DVBFSKNZAVGZAS-UHFFFAOYSA-N 0 1 386.370 3.295 20 0 GGADMN Cc1ccc(OCCCC(=O)N2CCC(CN3CCOCC3)CC2)c(Cl)c1 ZINC000152213204 1418175017 /nfs/dbraw/zinc/17/50/17/1418175017.db2.gz SJDOXMBIFAJPDK-UHFFFAOYSA-N 0 1 394.943 3.378 20 0 GGADMN CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)CC1(O)CCCC1 ZINC000152228420 1418179117 /nfs/dbraw/zinc/17/91/17/1418179117.db2.gz SDIWYQOXLWUTOQ-LJQANCHMSA-N 0 1 376.497 3.330 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)CC2(O)CCCC2)c1 ZINC000152240366 1418181531 /nfs/dbraw/zinc/18/15/31/1418181531.db2.gz PNKRUUFHDKNXPG-UHFFFAOYSA-N 0 1 395.503 3.423 20 0 GGADMN COC(=O)[C@@H](Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1cccnc1 ZINC000152250237 1418184329 /nfs/dbraw/zinc/18/43/29/1418184329.db2.gz NDQKFVUQEJYKMU-NRFANRHFSA-N 0 1 396.491 3.222 20 0 GGADMN Fc1ccc(-c2noc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1F ZINC000152250693 1418184942 /nfs/dbraw/zinc/18/49/42/1418184942.db2.gz JWJNSJXBVFPYPI-CYBMUJFWSA-N 0 1 386.406 3.390 20 0 GGADMN C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000152262335 1418187763 /nfs/dbraw/zinc/18/77/63/1418187763.db2.gz FQCGIGRKSHUYKG-MRXNPFEDSA-N 0 1 393.491 3.278 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152263869 1418188398 /nfs/dbraw/zinc/18/83/98/1418188398.db2.gz WMIGNWSSCVJBRW-LPHOPBHVSA-N 0 1 381.524 3.217 20 0 GGADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCOc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737257974 1429242318 /nfs/dbraw/zinc/24/23/18/1429242318.db2.gz WDXCQDZZPHAAFY-LJQANCHMSA-N 0 1 395.511 3.004 20 0 GGADMN Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737257974 1429242320 /nfs/dbraw/zinc/24/23/20/1429242320.db2.gz WDXCQDZZPHAAFY-LJQANCHMSA-N 0 1 395.511 3.004 20 0 GGADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737257974 1429242323 /nfs/dbraw/zinc/24/23/23/1429242323.db2.gz WDXCQDZZPHAAFY-LJQANCHMSA-N 0 1 395.511 3.004 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(-n2ccnn2)cc1 ZINC000179016545 1429243285 /nfs/dbraw/zinc/24/32/85/1429243285.db2.gz HLHMIVIFRHFOOO-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737146649 1429246005 /nfs/dbraw/zinc/24/60/05/1429246005.db2.gz IOTMPYFRDYNAEN-LJQANCHMSA-N 0 1 379.464 3.481 20 0 GGADMN CNC(=O)c1cccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000179073793 1429254999 /nfs/dbraw/zinc/25/49/99/1429254999.db2.gz UPFSBRJTHIMOID-UHFFFAOYSA-N 0 1 386.358 3.290 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC(C)(C)C2)c1-c1nnn[n-]1 ZINC000822016084 1429262262 /nfs/dbraw/zinc/26/22/62/1429262262.db2.gz UTXCQOAEDJZDKD-UHFFFAOYSA-N 0 1 385.516 3.071 20 0 GGADMN CCCOc1ccccc1NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000179104417 1429263064 /nfs/dbraw/zinc/26/30/64/1429263064.db2.gz ODAZRIOSLWAJKM-RBUKOAKNSA-N 0 1 383.492 3.232 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000822758146 1429265834 /nfs/dbraw/zinc/26/58/34/1429265834.db2.gz KEFIJEGKKGWATK-LJQANCHMSA-N 0 1 381.455 3.230 20 0 GGADMN C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(Cl)nc1 ZINC000179114943 1429267752 /nfs/dbraw/zinc/26/77/52/1429267752.db2.gz WXPMXXGWPKJDFG-INIZCTEOSA-N 0 1 375.900 3.297 20 0 GGADMN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000179147109 1429277601 /nfs/dbraw/zinc/27/76/01/1429277601.db2.gz ATXOHADOVVLHKD-UHFFFAOYSA-N 0 1 385.895 3.339 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826193702 1429278315 /nfs/dbraw/zinc/27/83/15/1429278315.db2.gz MCNDVOQLDUHEHX-YWZLYKJASA-N 0 1 379.464 3.146 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826193702 1429278318 /nfs/dbraw/zinc/27/83/18/1429278318.db2.gz MCNDVOQLDUHEHX-YWZLYKJASA-N 0 1 379.464 3.146 20 0 GGADMN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179154888 1429279626 /nfs/dbraw/zinc/27/96/26/1429279626.db2.gz JEDDSPYEAFRVEU-MRXNPFEDSA-N 0 1 385.895 3.196 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000179163008 1429282372 /nfs/dbraw/zinc/28/23/72/1429282372.db2.gz BVZOYGZHWCFPTR-HNNXBMFYSA-N 0 1 385.512 3.277 20 0 GGADMN Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000179162999 1429282678 /nfs/dbraw/zinc/28/26/78/1429282678.db2.gz BVZOYGZHWCFPTR-OAHLLOKOSA-N 0 1 385.512 3.277 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccnc(OC(C)C)c1 ZINC000179162775 1429282723 /nfs/dbraw/zinc/28/27/23/1429282723.db2.gz WDYYHCYSKPQZCI-UHFFFAOYSA-N 0 1 397.523 3.251 20 0 GGADMN COc1ccccc1OC[C@H](C)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000179166481 1429283215 /nfs/dbraw/zinc/28/32/15/1429283215.db2.gz RSKULIDHRAECPH-HZPDHXFCSA-N 0 1 391.537 3.374 20 0 GGADMN C[C@]1(c2ccccc2)CC(=O)N(CN2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000179182870 1429288236 /nfs/dbraw/zinc/28/82/36/1429288236.db2.gz PAIJHLNOQYZLKI-GBXCKJPGSA-N 0 1 392.499 3.199 20 0 GGADMN COCc1cccc(CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000179202523 1429293227 /nfs/dbraw/zinc/29/32/27/1429293227.db2.gz UUZDHHQWFQLIRP-UHFFFAOYSA-N 0 1 377.506 3.137 20 0 GGADMN CCOc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc(Cl)c1OC ZINC000736625136 1429294417 /nfs/dbraw/zinc/29/44/17/1429294417.db2.gz KENWSHJSNJYSFS-UHFFFAOYSA-N 0 1 391.834 3.356 20 0 GGADMN CN1CC[C@H](CNC(=O)NCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247411 1429304451 /nfs/dbraw/zinc/30/44/51/1429304451.db2.gz NKZHJYRAPZBEGP-KDOFPFPSSA-N 0 1 376.863 3.366 20 0 GGADMN CNC(=O)Nc1cccc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1 ZINC000179247265 1429304682 /nfs/dbraw/zinc/30/46/82/1429304682.db2.gz BFUHIQVXOIOLSZ-UHFFFAOYSA-N 0 1 379.420 3.397 20 0 GGADMN CN(CC(=O)NCc1ccccc1COCc1ccccc1)[C@@H]1CCSC1 ZINC000179263217 1429307610 /nfs/dbraw/zinc/30/76/10/1429307610.db2.gz VOZBHHKBVDBCTN-OAQYLSRUSA-N 0 1 384.545 3.457 20 0 GGADMN Cn1c2cccc(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2oc1=O ZINC000179268517 1429309132 /nfs/dbraw/zinc/30/91/32/1429309132.db2.gz AIBHNJACHAQKQI-MRXNPFEDSA-N 0 1 378.388 3.112 20 0 GGADMN Cc1cc(F)ccc1-n1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)nn1 ZINC000179274271 1429311068 /nfs/dbraw/zinc/31/10/68/1429311068.db2.gz OZIBUEHYIISHBW-UHFFFAOYSA-N 0 1 393.466 3.063 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179285595 1429314250 /nfs/dbraw/zinc/31/42/50/1429314250.db2.gz MTYKKWSMKKFOHT-CQSZACIVSA-N 0 1 399.520 3.139 20 0 GGADMN O=C(c1cc2ccccc2cc1OC(F)F)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179305900 1429322183 /nfs/dbraw/zinc/32/21/83/1429322183.db2.gz AVGOVLDSRMFOSI-OAHLLOKOSA-N 0 1 390.430 3.236 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(-c2ccccc2)[nH]1 ZINC000179318497 1429327250 /nfs/dbraw/zinc/32/72/50/1429327250.db2.gz FXMKOWYMOLEEGR-UXHICEINSA-N 0 1 375.472 3.047 20 0 GGADMN CCn1cc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc21 ZINC000179320027 1429327674 /nfs/dbraw/zinc/32/76/74/1429327674.db2.gz CSXIZUNARUBNON-RTBURBONSA-N 0 1 377.488 3.026 20 0 GGADMN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179322316 1429328618 /nfs/dbraw/zinc/32/86/18/1429328618.db2.gz HISBXOPGAYGOGF-QGZVFWFLSA-N 0 1 378.432 3.164 20 0 GGADMN Cc1nc2cc(F)cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2nc1C ZINC000179327575 1429329728 /nfs/dbraw/zinc/32/97/28/1429329728.db2.gz HJDGDURTOJFUJR-CQSZACIVSA-N 0 1 394.454 3.401 20 0 GGADMN COc1ccc(CCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(OC)c1 ZINC000179330210 1429331131 /nfs/dbraw/zinc/33/11/31/1429331131.db2.gz ODBYGCQJIDNPHF-QGZVFWFLSA-N 0 1 398.507 3.428 20 0 GGADMN CC(=O)c1ccc(OCCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179334834 1429332482 /nfs/dbraw/zinc/33/24/82/1429332482.db2.gz XFIGBAQCZJWBTA-SFHVURJKSA-N 0 1 396.491 3.450 20 0 GGADMN CC(=O)c1ccc(OCCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179334843 1429332496 /nfs/dbraw/zinc/33/24/96/1429332496.db2.gz XFIGBAQCZJWBTA-GOSISDBHSA-N 0 1 396.491 3.450 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820912957 1429333369 /nfs/dbraw/zinc/33/33/69/1429333369.db2.gz ANLOGLZORVRFTK-GOSISDBHSA-N 0 1 389.463 3.370 20 0 GGADMN CC(C)NC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179335456 1429333442 /nfs/dbraw/zinc/33/34/42/1429333442.db2.gz IAYBNRVALWQSDM-INIZCTEOSA-N 0 1 396.495 3.232 20 0 GGADMN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179338122 1429333838 /nfs/dbraw/zinc/33/38/38/1429333838.db2.gz MFPKIZLABFVITP-AAEUAGOBSA-N 0 1 376.407 3.134 20 0 GGADMN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179338144 1429334527 /nfs/dbraw/zinc/33/45/27/1429334527.db2.gz MFPKIZLABFVITP-DGCLKSJQSA-N 0 1 376.407 3.134 20 0 GGADMN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179340113 1429334698 /nfs/dbraw/zinc/33/46/98/1429334698.db2.gz FPZIGLFAHILYKZ-SFHVURJKSA-N 0 1 390.491 3.207 20 0 GGADMN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179338129 1429334719 /nfs/dbraw/zinc/33/47/19/1429334719.db2.gz MFPKIZLABFVITP-YPMHNXCESA-N 0 1 376.407 3.134 20 0 GGADMN COCCn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc21 ZINC000179340902 1429335431 /nfs/dbraw/zinc/33/54/31/1429335431.db2.gz JLPAWXMWQPJGKE-MRXNPFEDSA-N 0 1 393.491 3.303 20 0 GGADMN CCOc1c(Cl)cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OC ZINC000179340963 1429335608 /nfs/dbraw/zinc/33/56/08/1429335608.db2.gz CWGWKCPOSPMYDI-MRXNPFEDSA-N 0 1 380.916 3.486 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000179350665 1429339925 /nfs/dbraw/zinc/33/99/25/1429339925.db2.gz CKZQFIUWBSHKAZ-CQSZACIVSA-N 0 1 378.436 3.060 20 0 GGADMN COc1ccc(C(=O)N2CCN(C[C@H]3CCC[C@@H](C)C3)CC2)c(OC)c1OC ZINC000179357675 1429342507 /nfs/dbraw/zinc/34/25/07/1429342507.db2.gz WVGNNRACMXHLNC-SJORKVTESA-N 0 1 390.524 3.297 20 0 GGADMN O=C(CCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(F)cc1F ZINC000179352849 1429340664 /nfs/dbraw/zinc/34/06/64/1429340664.db2.gz GFCRCRZEWDTJQK-ZDUSSCGKSA-N 0 1 388.418 3.329 20 0 GGADMN O=C(N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000179356602 1429341595 /nfs/dbraw/zinc/34/15/95/1429341595.db2.gz ZPGBUBKDUKOTSE-MRXNPFEDSA-N 0 1 398.482 3.276 20 0 GGADMN Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1 ZINC000179346062 1429337538 /nfs/dbraw/zinc/33/75/38/1429337538.db2.gz ZTKYOZAEQDJDCQ-MRXNPFEDSA-N 0 1 376.464 3.196 20 0 GGADMN CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825140953 1429338379 /nfs/dbraw/zinc/33/83/79/1429338379.db2.gz LZLOVJRFTQPVCL-MEDUHNTESA-N 0 1 386.406 3.213 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179360407 1429342975 /nfs/dbraw/zinc/34/29/75/1429342975.db2.gz XEQDZXDBGVZXGG-AWEZNQCLSA-N 0 1 378.436 3.060 20 0 GGADMN CC(C)c1noc2ncc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc21 ZINC000179361571 1429343913 /nfs/dbraw/zinc/34/39/13/1429343913.db2.gz TZDMGLSFZJIRKD-CYBMUJFWSA-N 0 1 380.452 3.362 20 0 GGADMN O=C(Nc1ccc(C(F)(F)F)nc1)NC1CCN(Cc2ccncc2)CC1 ZINC000179362958 1429344656 /nfs/dbraw/zinc/34/46/56/1429344656.db2.gz RPVWKIXGAZLSGB-UHFFFAOYSA-N 0 1 379.386 3.282 20 0 GGADMN COc1ccc(CCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000179364637 1429345413 /nfs/dbraw/zinc/34/54/13/1429345413.db2.gz HWRFZZGBXCTIKK-MRXNPFEDSA-N 0 1 384.480 3.038 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1)C1CC1 ZINC000179364780 1429345446 /nfs/dbraw/zinc/34/54/46/1429345446.db2.gz YSJCBPFQURIDGJ-INIZCTEOSA-N 0 1 379.464 3.050 20 0 GGADMN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179365125 1429346032 /nfs/dbraw/zinc/34/60/32/1429346032.db2.gz COKBAQGSAJHHOK-CQSZACIVSA-N 0 1 394.504 3.176 20 0 GGADMN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179365115 1429346053 /nfs/dbraw/zinc/34/60/53/1429346053.db2.gz COKBAQGSAJHHOK-AWEZNQCLSA-N 0 1 394.504 3.176 20 0 GGADMN Brc1cc(CN2CCC[C@H](C3OCCO3)C2)cc2c1OCCCO2 ZINC000179366092 1429346857 /nfs/dbraw/zinc/34/68/57/1429346857.db2.gz APQUBPFTSURDIC-AWEZNQCLSA-N 0 1 398.297 3.195 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179372187 1429349026 /nfs/dbraw/zinc/34/90/26/1429349026.db2.gz WAGQAPMORQIEFF-YJBOKZPZSA-N 0 1 383.895 3.198 20 0 GGADMN CCC[C@H]1C(=O)NCCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000179382351 1429352038 /nfs/dbraw/zinc/35/20/38/1429352038.db2.gz QAIJQADZWOLXBX-NRFANRHFSA-N 0 1 379.504 3.059 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CCO1 ZINC000179385424 1429353276 /nfs/dbraw/zinc/35/32/76/1429353276.db2.gz WBUGNWFAGCMWQY-PMACEKPBSA-N 0 1 375.513 3.043 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CCO1 ZINC000179385436 1429353390 /nfs/dbraw/zinc/35/33/90/1429353390.db2.gz WBUGNWFAGCMWQY-WOJBJXKFSA-N 0 1 375.513 3.043 20 0 GGADMN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179367723 1429347514 /nfs/dbraw/zinc/34/75/14/1429347514.db2.gz CKUUAHFZAUVRCK-ZDUSSCGKSA-N 0 1 398.492 3.132 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cn(-c2ccc(F)cc2C)nn1)c1ccco1 ZINC000179390428 1429355132 /nfs/dbraw/zinc/35/51/32/1429355132.db2.gz DEXMGXVVXLNTEJ-GOSISDBHSA-N 0 1 385.443 3.121 20 0 GGADMN CCC1(CNc2cnccc2-c2nn[n-]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171218 1429355431 /nfs/dbraw/zinc/35/54/31/1429355431.db2.gz NAVUQURHBVMXDE-UHFFFAOYSA-N 0 1 377.496 3.366 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179413739 1429365270 /nfs/dbraw/zinc/36/52/70/1429365270.db2.gz NPNOTFUNSBIFJD-UHFFFAOYSA-N 0 1 396.457 3.018 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000179393192 1429356929 /nfs/dbraw/zinc/35/69/29/1429356929.db2.gz AEAXPZCTXDENBB-UHFFFAOYSA-N 0 1 390.505 3.143 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cnc4cc(C)nn4c3C)cn2)n1 ZINC000179399722 1429359637 /nfs/dbraw/zinc/35/96/37/1429359637.db2.gz NRABIBWPTAYMJG-MRXNPFEDSA-N 0 1 375.480 3.394 20 0 GGADMN Cc1cc2ncc([C@H](C)NCc3cccc(NC(=O)[C@H]4CCCO4)c3)c(C)n2n1 ZINC000179407295 1429362338 /nfs/dbraw/zinc/36/23/38/1429362338.db2.gz WBWXTZXCFLBZML-MGPUTAFESA-N 0 1 393.491 3.314 20 0 GGADMN CC1CCN(C(=O)C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)CC1 ZINC000179411887 1429364001 /nfs/dbraw/zinc/36/40/01/1429364001.db2.gz ISDFHKFHSIGVQD-UHFFFAOYSA-N 0 1 380.536 3.402 20 0 GGADMN C[C@@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000179417514 1429366501 /nfs/dbraw/zinc/36/65/01/1429366501.db2.gz AXKQVIMQYINNAJ-QGZVFWFLSA-N 0 1 398.576 3.411 20 0 GGADMN CC[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc(C)ccc1OC ZINC000179423449 1429369167 /nfs/dbraw/zinc/36/91/67/1429369167.db2.gz WISJGPPLALLIBQ-HXUWFJFHSA-N 0 1 396.535 3.341 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(-c2cccs2)on1 ZINC000179430890 1429372942 /nfs/dbraw/zinc/37/29/42/1429372942.db2.gz GLTULCNWXILKNU-FUHWJXTLSA-N 0 1 397.500 3.016 20 0 GGADMN O=C(/C=C\SCc1ccco1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000179431511 1429373429 /nfs/dbraw/zinc/37/34/29/1429373429.db2.gz RQXHEOFHBRRGJW-GBOJCQPWSA-N 0 1 386.517 3.026 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cn(-c3ccc(F)cc3C)nn2)N2CCCC2)o1 ZINC000179432166 1429373986 /nfs/dbraw/zinc/37/39/86/1429373986.db2.gz DDSPWXICIFFJHX-IBGZPJMESA-N 0 1 397.454 3.183 20 0 GGADMN O=C(/C=C\SCc1ccco1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000179431499 1429374020 /nfs/dbraw/zinc/37/40/20/1429374020.db2.gz RQXHEOFHBRRGJW-JXYKKQOOSA-N 0 1 386.517 3.026 20 0 GGADMN COC(=O)C1CCC(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000179448152 1429380373 /nfs/dbraw/zinc/38/03/73/1429380373.db2.gz YJAAKLOZDWWCCP-UHFFFAOYSA-N 0 1 392.927 3.400 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NC3C[C@@H](C)O[C@H](C)C3)c2C1 ZINC000179452098 1429380981 /nfs/dbraw/zinc/38/09/81/1429380981.db2.gz LJYMICANRNVCIO-OAGGEKHMSA-N 0 1 387.524 3.057 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)c(C)n2n1 ZINC000179452987 1429381911 /nfs/dbraw/zinc/38/19/11/1429381911.db2.gz AUCZZLQVIKGYQC-TZMCWYRMSA-N 0 1 385.418 3.080 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)c(C)n2n1 ZINC000179453000 1429382028 /nfs/dbraw/zinc/38/20/28/1429382028.db2.gz AUCZZLQVIKGYQC-GXTWGEPZSA-N 0 1 385.418 3.080 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000179454255 1429382371 /nfs/dbraw/zinc/38/23/71/1429382371.db2.gz JUQKZZJJCUOWEH-LBPRGKRZSA-N 0 1 391.821 3.098 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000179466361 1429385574 /nfs/dbraw/zinc/38/55/74/1429385574.db2.gz PWYNOMFBBMIHEE-CQSZACIVSA-N 0 1 392.931 3.171 20 0 GGADMN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000179469259 1429385806 /nfs/dbraw/zinc/38/58/06/1429385806.db2.gz SOYNMADJDHFUAL-PZJWPPBQSA-N 0 1 395.503 3.282 20 0 GGADMN CSCCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000179469445 1429386447 /nfs/dbraw/zinc/38/64/47/1429386447.db2.gz QYEQUKVIGHZEAA-PMACEKPBSA-N 0 1 397.544 3.092 20 0 GGADMN CCCN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179472717 1429386761 /nfs/dbraw/zinc/38/67/61/1429386761.db2.gz UFDSZZVEUBGKBS-QGZVFWFLSA-N 0 1 399.495 3.333 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000179473815 1429386804 /nfs/dbraw/zinc/38/68/04/1429386804.db2.gz QTMUTPPNUCTEQG-IRXDYDNUSA-N 0 1 392.286 3.494 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(F)c1 ZINC000179473369 1429387173 /nfs/dbraw/zinc/38/71/73/1429387173.db2.gz CCMWQGKXXCSQKT-VQTJNVASSA-N 0 1 399.466 3.113 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179476500 1429387704 /nfs/dbraw/zinc/38/77/04/1429387704.db2.gz CVVCISFPNYVTJK-RTBURBONSA-N 0 1 383.517 3.299 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000179489895 1429391597 /nfs/dbraw/zinc/39/15/97/1429391597.db2.gz ZVAKGZHSJCSRAN-HNNXBMFYSA-N 0 1 385.374 3.198 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1 ZINC000179477227 1429388700 /nfs/dbraw/zinc/38/87/00/1429388700.db2.gz KMSNFIDMYDXDGJ-IRXDYDNUSA-N 0 1 392.286 3.494 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496261 1429394848 /nfs/dbraw/zinc/39/48/48/1429394848.db2.gz JKQFEFXZGYZDEA-MAUKXSAKSA-N 0 1 383.496 3.287 20 0 GGADMN CN(C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000179496561 1429395077 /nfs/dbraw/zinc/39/50/77/1429395077.db2.gz JZOUMTNGBYIFDZ-MRXNPFEDSA-N 0 1 390.892 3.335 20 0 GGADMN COc1ccccc1[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826218944 1429395358 /nfs/dbraw/zinc/39/53/58/1429395358.db2.gz OXAVJQMLQUZMBG-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@@H]2CCCN(Cc3ccccc3)C2=O)s1 ZINC000179497172 1429395863 /nfs/dbraw/zinc/39/58/63/1429395863.db2.gz NPRNAUBRRZUBHN-MAUKXSAKSA-N 0 1 387.549 3.482 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179497295 1429395913 /nfs/dbraw/zinc/39/59/13/1429395913.db2.gz IDCYMYLYEDXEIR-GOSISDBHSA-N 0 1 382.508 3.023 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179491101 1429392521 /nfs/dbraw/zinc/39/25/21/1429392521.db2.gz FQMQURLMTOIDGS-ZDUSSCGKSA-N 0 1 389.887 3.162 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179491101 1429392524 /nfs/dbraw/zinc/39/25/24/1429392524.db2.gz FQMQURLMTOIDGS-ZDUSSCGKSA-N 0 1 389.887 3.162 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H]3CCCN(c4ccccc4F)C3=O)c(C)n2n1 ZINC000179498981 1429396667 /nfs/dbraw/zinc/39/66/67/1429396667.db2.gz LPIDNVICDNWVDY-RDTXWAMCSA-N 0 1 381.455 3.331 20 0 GGADMN Cc1nscc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000179501341 1429398314 /nfs/dbraw/zinc/39/83/14/1429398314.db2.gz ANMZCGGNUBPIAL-UHFFFAOYSA-N 0 1 384.427 3.474 20 0 GGADMN c1ccc(CCc2noc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1 ZINC000179503106 1429399045 /nfs/dbraw/zinc/39/90/45/1429399045.db2.gz RFWBXLKBTIOORR-KRWDZBQOSA-N 0 1 378.480 3.230 20 0 GGADMN c1ccc(CCc2noc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 ZINC000179503106 1429399052 /nfs/dbraw/zinc/39/90/52/1429399052.db2.gz RFWBXLKBTIOORR-KRWDZBQOSA-N 0 1 378.480 3.230 20 0 GGADMN c1ccc(CCc2noc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1 ZINC000179503118 1429399213 /nfs/dbraw/zinc/39/92/13/1429399213.db2.gz RFWBXLKBTIOORR-QGZVFWFLSA-N 0 1 378.480 3.230 20 0 GGADMN c1ccc(CCc2noc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 ZINC000179503118 1429399223 /nfs/dbraw/zinc/39/92/23/1429399223.db2.gz RFWBXLKBTIOORR-QGZVFWFLSA-N 0 1 378.480 3.230 20 0 GGADMN COc1ccc(COCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826206965 1429400089 /nfs/dbraw/zinc/40/00/89/1429400089.db2.gz TUUPBCBYAVUNCC-OAQYLSRUSA-N 0 1 393.491 3.449 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)N1CCSc2ccccc21 ZINC000179514033 1429404123 /nfs/dbraw/zinc/40/41/23/1429404123.db2.gz BOKFKUIZUKYAKM-HNNXBMFYSA-N 0 1 383.521 3.000 20 0 GGADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)N1CCSc2ccccc21 ZINC000179514033 1429404132 /nfs/dbraw/zinc/40/41/32/1429404132.db2.gz BOKFKUIZUKYAKM-HNNXBMFYSA-N 0 1 383.521 3.000 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179505562 1429400448 /nfs/dbraw/zinc/40/04/48/1429400448.db2.gz MHKUWCGIDZFVRU-OCCSQVGLSA-N 0 1 396.520 3.498 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179505562 1429400455 /nfs/dbraw/zinc/40/04/55/1429400455.db2.gz MHKUWCGIDZFVRU-OCCSQVGLSA-N 0 1 396.520 3.498 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179505501 1429400532 /nfs/dbraw/zinc/40/05/32/1429400532.db2.gz KMWQCJYMPWZFIE-LPHOPBHVSA-N 0 1 381.524 3.299 20 0 GGADMN CC(C)[C@H](CNC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1 ZINC000179505631 1429400879 /nfs/dbraw/zinc/40/08/79/1429400879.db2.gz FMZVCKHVUBSZQC-PMACEKPBSA-N 0 1 395.551 3.418 20 0 GGADMN CCn1nc(C)c(NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1C ZINC000179515942 1429405019 /nfs/dbraw/zinc/40/50/19/1429405019.db2.gz FCYCSYAOHIEVCK-LJQANCHMSA-N 0 1 385.512 3.487 20 0 GGADMN CCn1nc(C)c(NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1C ZINC000179515933 1429405473 /nfs/dbraw/zinc/40/54/73/1429405473.db2.gz FCYCSYAOHIEVCK-IBGZPJMESA-N 0 1 385.512 3.487 20 0 GGADMN COC[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)c(F)c1 ZINC000179518693 1429406270 /nfs/dbraw/zinc/40/62/70/1429406270.db2.gz ZYNFDEXJAPOSFA-MOPGFXCFSA-N 0 1 395.425 3.394 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000179525815 1429409325 /nfs/dbraw/zinc/40/93/25/1429409325.db2.gz OSCMEXBEEGFTQP-INIZCTEOSA-N 0 1 383.492 3.465 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000179529024 1429411324 /nfs/dbraw/zinc/41/13/24/1429411324.db2.gz BWWBAOVSFAKBIG-CHWSQXEVSA-N 0 1 375.494 3.312 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736235133 1429417616 /nfs/dbraw/zinc/41/76/16/1429417616.db2.gz MLOIVSJZFUAVHQ-RKVPGOIHSA-N 0 1 376.464 3.072 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1 ZINC000179542018 1429419519 /nfs/dbraw/zinc/41/95/19/1429419519.db2.gz AZDNBPNBUPUEEU-UHFFFAOYSA-N 0 1 393.896 3.148 20 0 GGADMN COc1cc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1C ZINC000179559291 1429432743 /nfs/dbraw/zinc/43/27/43/1429432743.db2.gz HFGRIUKRXUDWQO-UHFFFAOYSA-N 0 1 388.374 3.072 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC1(C)OCCO1 ZINC000179556415 1429429822 /nfs/dbraw/zinc/42/98/22/1429429822.db2.gz YQKYNTNPSLBXPU-UHFFFAOYSA-N 0 1 380.286 3.104 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000820913284 1429449114 /nfs/dbraw/zinc/44/91/14/1429449114.db2.gz FCRJMMYZOQHUCE-MRXNPFEDSA-N 0 1 398.536 3.437 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000179578887 1429449798 /nfs/dbraw/zinc/44/97/98/1429449798.db2.gz IFBGNZDJIIUUDL-QWHCGFSZSA-N 0 1 389.402 3.312 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2cc(Br)cs2)cc1-c1nnn[n-]1 ZINC000826193138 1429451591 /nfs/dbraw/zinc/45/15/91/1429451591.db2.gz RBXHHPXLEFZUJM-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(OC(F)F)c1 ZINC000179587691 1429455146 /nfs/dbraw/zinc/45/51/46/1429455146.db2.gz ZNCNDALHPAAPBT-ZDUSSCGKSA-N 0 1 384.448 3.389 20 0 GGADMN Cc1cc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1-n1cncn1 ZINC000826266578 1429455250 /nfs/dbraw/zinc/45/52/50/1429455250.db2.gz UDFHZXROUSTSPG-UHFFFAOYSA-N 0 1 398.474 3.045 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1sccc1C(N)=O ZINC000179589123 1429456179 /nfs/dbraw/zinc/45/61/79/1429456179.db2.gz RZEWAGDBBPMFHK-UWVGGRQHSA-N 0 1 383.420 3.126 20 0 GGADMN C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824599241 1429456612 /nfs/dbraw/zinc/45/66/12/1429456612.db2.gz MPVUMWGJUGEQEF-SECBINFHSA-N 0 1 396.257 3.470 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1cccc(OC(F)F)c1 ZINC000179595059 1429460263 /nfs/dbraw/zinc/46/02/63/1429460263.db2.gz GIEUYTBMQZKYTE-KGLIPLIRSA-N 0 1 391.418 3.353 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179594864 1429460682 /nfs/dbraw/zinc/46/06/82/1429460682.db2.gz GSWFUXJADOVOGC-CYBMUJFWSA-N 0 1 391.418 3.327 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)NC(=O)NCc1ccccc1 ZINC000179595080 1429460896 /nfs/dbraw/zinc/46/08/96/1429460896.db2.gz GIEUYTBMQZKYTE-ZIAGYGMSSA-N 0 1 391.418 3.353 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179595241 1429460931 /nfs/dbraw/zinc/46/09/31/1429460931.db2.gz SYKBDORFMKTFCG-OLZOCXBDSA-N 0 1 391.418 3.325 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000179596391 1429461578 /nfs/dbraw/zinc/46/15/78/1429461578.db2.gz SSNPKGGXYNAYJX-HXUWFJFHSA-N 0 1 389.540 3.373 20 0 GGADMN COc1cc(F)cc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000179595883 1429461981 /nfs/dbraw/zinc/46/19/81/1429461981.db2.gz HVKAXOBLMFMVRX-AWEZNQCLSA-N 0 1 378.469 3.225 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1 ZINC000821094909 1429457886 /nfs/dbraw/zinc/45/78/86/1429457886.db2.gz TXFZOZBXURWJGI-UHFFFAOYSA-N 0 1 382.443 3.247 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC000821094909 1429457891 /nfs/dbraw/zinc/45/78/91/1429457891.db2.gz TXFZOZBXURWJGI-UHFFFAOYSA-N 0 1 382.443 3.247 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC000821094909 1429457894 /nfs/dbraw/zinc/45/78/94/1429457894.db2.gz TXFZOZBXURWJGI-UHFFFAOYSA-N 0 1 382.443 3.247 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3C(N)=O)[nH]n2)o1 ZINC000179592029 1429458086 /nfs/dbraw/zinc/45/80/86/1429458086.db2.gz YCSNMHUVVUGXNX-UHFFFAOYSA-N 0 1 393.447 3.320 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179600190 1429463610 /nfs/dbraw/zinc/46/36/10/1429463610.db2.gz YJRFZOLAELZLNW-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN O=C(CN1CCN(Cc2cccc(Cl)c2O)CC1)Nc1ccccc1Cl ZINC000179599597 1429463914 /nfs/dbraw/zinc/46/39/14/1429463914.db2.gz UUOJRLDMUPGUSN-UHFFFAOYSA-N 0 1 394.302 3.455 20 0 GGADMN O=C(CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)Nc1ccccc1Cl ZINC000179599597 1429463919 /nfs/dbraw/zinc/46/39/19/1429463919.db2.gz UUOJRLDMUPGUSN-UHFFFAOYSA-N 0 1 394.302 3.455 20 0 GGADMN CC(C)C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nccs1 ZINC000179600454 1429464720 /nfs/dbraw/zinc/46/47/20/1429464720.db2.gz RAKQQLAJNNASCV-BBRMVZONSA-N 0 1 395.550 3.251 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000179600493 1429465170 /nfs/dbraw/zinc/46/51/70/1429465170.db2.gz QFYISBWKXCTCFI-ZDUSSCGKSA-N 0 1 391.418 3.279 20 0 GGADMN CC(C)(NCC(=O)N(CCC(N)=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000179602569 1429465745 /nfs/dbraw/zinc/46/57/45/1429465745.db2.gz JHROUYDNDQOCSW-UHFFFAOYSA-N 0 1 387.911 3.069 20 0 GGADMN CC(C)[C@H](CNC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)c1ccccc1 ZINC000179614335 1429471571 /nfs/dbraw/zinc/47/15/71/1429471571.db2.gz LDGKKEITISOKLQ-SFHVURJKSA-N 0 1 375.557 3.073 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179612945 1429470896 /nfs/dbraw/zinc/47/08/96/1429470896.db2.gz HRLRRTVJCCFDKH-CQSZACIVSA-N 0 1 378.419 3.306 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(OC(F)F)cc1 ZINC000179613649 1429470978 /nfs/dbraw/zinc/47/09/78/1429470978.db2.gz VAHAZZABUQYSBY-CYBMUJFWSA-N 0 1 382.382 3.273 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179614170 1429471483 /nfs/dbraw/zinc/47/14/83/1429471483.db2.gz TUXPBSADQYFGEV-ZDUSSCGKSA-N 0 1 391.418 3.327 20 0 GGADMN COc1cccc([C@H](CNC(=O)C[C@H](O)c2ccc(Cl)cc2)N(C)C)c1 ZINC000179618464 1429473750 /nfs/dbraw/zinc/47/37/50/1429473750.db2.gz NYEGNBGUJMXKCF-OALUTQOASA-N 0 1 376.884 3.191 20 0 GGADMN CC[C@H](CSC)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000179621040 1429474444 /nfs/dbraw/zinc/47/44/44/1429474444.db2.gz SRPZXTDPONBSPJ-NVXWUHKLSA-N 0 1 396.576 3.422 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000179625250 1429475852 /nfs/dbraw/zinc/47/58/52/1429475852.db2.gz NDJYKRYIKBATEL-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN COc1ccccc1CC1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000737152263 1429472119 /nfs/dbraw/zinc/47/21/19/1429472119.db2.gz JENMAXCTRVYCMU-UHFFFAOYSA-N 0 1 390.491 3.218 20 0 GGADMN COc1ccc(CN(C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c(OC)c1 ZINC000179617882 1429472806 /nfs/dbraw/zinc/47/28/06/1429472806.db2.gz JCTUAKAAJYHBIN-UHFFFAOYSA-N 0 1 395.459 3.497 20 0 GGADMN c1ccc(N2CCC[N@H+](Cc3cccc4cnccc43)CC2)c(-c2nnn[n-]2)c1 ZINC000826521938 1429480890 /nfs/dbraw/zinc/48/08/90/1429480890.db2.gz DQIVAILIOAEXFJ-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(N2CCC[N@@H+](Cc3cccc4cnccc43)CC2)c(-c2nn[n-]n2)c1 ZINC000826521938 1429480893 /nfs/dbraw/zinc/48/08/93/1429480893.db2.gz DQIVAILIOAEXFJ-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(N2CCC[N@H+](Cc3cccc4cnccc43)CC2)c(-c2nn[n-]n2)c1 ZINC000826521938 1429480898 /nfs/dbraw/zinc/48/08/98/1429480898.db2.gz DQIVAILIOAEXFJ-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN CN(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C[C@@H]1COc2ccccc2O1 ZINC000179635812 1429482543 /nfs/dbraw/zinc/48/25/43/1429482543.db2.gz OMXOHSUAOOCWTC-QGZVFWFLSA-N 0 1 393.443 3.120 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000179636785 1429483074 /nfs/dbraw/zinc/48/30/74/1429483074.db2.gz XGDBVOVUMFVIKJ-INIZCTEOSA-N 0 1 386.492 3.378 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(Cc4nc5ccccc5c(=O)n4C)C3)[nH]c2c1 ZINC000179637578 1429483988 /nfs/dbraw/zinc/48/39/88/1429483988.db2.gz UZOUTLNCLONFRW-MRXNPFEDSA-N 0 1 387.487 3.498 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(Cc4nc5ccccc5c(=O)n4C)C3)[nH]c2c1 ZINC000179637592 1429484035 /nfs/dbraw/zinc/48/40/35/1429484035.db2.gz UZOUTLNCLONFRW-INIZCTEOSA-N 0 1 387.487 3.498 20 0 GGADMN CC(C)Cc1nnc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179638905 1429484770 /nfs/dbraw/zinc/48/47/70/1429484770.db2.gz QHERUBIVYXBRQB-GFCCVEGCSA-N 0 1 375.502 3.144 20 0 GGADMN Cc1cccc(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1C ZINC000179647817 1429488459 /nfs/dbraw/zinc/48/84/59/1429488459.db2.gz RLORJWKBDUFMEK-QGZVFWFLSA-N 0 1 395.503 3.250 20 0 GGADMN CCc1ccccc1NC(=O)CN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650369 1429489088 /nfs/dbraw/zinc/48/90/88/1429489088.db2.gz FDTZIJZPJLCQGG-INIZCTEOSA-N 0 1 395.503 3.196 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CCN1Cc1ccccc1 ZINC000179653725 1429491647 /nfs/dbraw/zinc/49/16/47/1429491647.db2.gz DRCTYYZXMGATIN-HXUWFJFHSA-N 0 1 389.503 3.394 20 0 GGADMN CN1CC[C@@H](CNC(=O)NC2(CO)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179654795 1429492346 /nfs/dbraw/zinc/49/23/46/1429492346.db2.gz AWWANLIRTOWALN-YOEHRIQHSA-N 0 1 383.895 3.076 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179655540 1429492447 /nfs/dbraw/zinc/49/24/47/1429492447.db2.gz JZVHRLBXWNXIAG-POZUXBRTSA-N 0 1 385.911 3.178 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000179655844 1429493344 /nfs/dbraw/zinc/49/33/44/1429493344.db2.gz TXMKABNWCQHRQY-QIIPPGSGSA-N 0 1 383.895 3.292 20 0 GGADMN Cc1ccc2nc(CN[C@@H](C)c3ccc(OCC(=O)NC4CC4)cc3)cn2c1 ZINC000179658424 1429494054 /nfs/dbraw/zinc/49/40/54/1429494054.db2.gz ZJTRYHWLUKWNDF-INIZCTEOSA-N 0 1 378.476 3.151 20 0 GGADMN c1ccc([C@@H]2OCCC[C@@H]2CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000823780976 1429496418 /nfs/dbraw/zinc/49/64/18/1429496418.db2.gz XZFNNKWYTCAEPO-IERDGZPVSA-N 0 1 386.459 3.417 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000179664291 1429497012 /nfs/dbraw/zinc/49/70/12/1429497012.db2.gz OPRHQKRJZMIVMA-GOSISDBHSA-N 0 1 385.508 3.062 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000179664305 1429497030 /nfs/dbraw/zinc/49/70/30/1429497030.db2.gz OPRHQKRJZMIVMA-SFHVURJKSA-N 0 1 385.508 3.062 20 0 GGADMN CC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1nc(C)cs1 ZINC000179667234 1429498412 /nfs/dbraw/zinc/49/84/12/1429498412.db2.gz LVZXPZUCGWAWPG-SNVBAGLBSA-N 0 1 393.419 3.471 20 0 GGADMN C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000735977294 1429498538 /nfs/dbraw/zinc/49/85/38/1429498538.db2.gz NKBIWEVDSQESSD-OAHLLOKOSA-N 0 1 396.520 3.107 20 0 GGADMN CCCc1cc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n(C)n1 ZINC000179670726 1429500060 /nfs/dbraw/zinc/50/00/60/1429500060.db2.gz UJTWMUAZXCOGGZ-IAGOWNOFSA-N 0 1 399.539 3.304 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cccc(N(C)C)n3)[nH]c2c1 ZINC000179672855 1429500741 /nfs/dbraw/zinc/50/07/41/1429500741.db2.gz MJNUJNDAHFYKBX-SFHVURJKSA-N 0 1 378.480 3.379 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3cccc(N(C)C)n3)[nH]c2c1 ZINC000179672870 1429500832 /nfs/dbraw/zinc/50/08/32/1429500832.db2.gz MJNUJNDAHFYKBX-GOSISDBHSA-N 0 1 378.480 3.379 20 0 GGADMN O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179675199 1429502001 /nfs/dbraw/zinc/50/20/01/1429502001.db2.gz LGQNJVAWCATXKE-OAHLLOKOSA-N 0 1 377.452 3.279 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2c(C)ccn(C)c2=O)CCN1Cc1ccccc1 ZINC000179676043 1429502301 /nfs/dbraw/zinc/50/23/01/1429502301.db2.gz QKKNNZLFIRXHFQ-LJQANCHMSA-N 0 1 382.508 3.212 20 0 GGADMN CC(=O)Nc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1F ZINC000179675773 1429502505 /nfs/dbraw/zinc/50/25/05/1429502505.db2.gz TXOLKJSIORQSHY-ZDUSSCGKSA-N 0 1 386.431 3.191 20 0 GGADMN CCC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCN1CCOC ZINC000179676577 1429502734 /nfs/dbraw/zinc/50/27/34/1429502734.db2.gz HCNRRBCUPAGCRZ-IRXDYDNUSA-N 0 1 381.948 3.408 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CCN1CCOC ZINC000179676530 1429503323 /nfs/dbraw/zinc/50/33/23/1429503323.db2.gz FITHBQIKKIXHCG-FUHWJXTLSA-N 0 1 381.948 3.408 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000179678721 1429504038 /nfs/dbraw/zinc/50/40/38/1429504038.db2.gz CKJHRLPJXBAYRV-HNNXBMFYSA-N 0 1 382.468 3.360 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)NCCCN2CCCCCC2=O)c1 ZINC000179679188 1429504206 /nfs/dbraw/zinc/50/42/06/1429504206.db2.gz CUNUSEAELWFARB-SFHVURJKSA-N 0 1 389.540 3.033 20 0 GGADMN COCCOc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179684097 1429506300 /nfs/dbraw/zinc/50/63/00/1429506300.db2.gz QOKURQSGQBMOOR-OAHLLOKOSA-N 0 1 385.468 3.119 20 0 GGADMN O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738391602 1429506406 /nfs/dbraw/zinc/50/64/06/1429506406.db2.gz YLEGMNRZPAZSSR-FPOVZHCZSA-N 0 1 393.491 3.086 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000824761994 1429508359 /nfs/dbraw/zinc/50/83/59/1429508359.db2.gz DWUGIHBCAOWZGV-APWZRJJASA-N 0 1 394.523 3.042 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCN(Cc2ccccc2C)CC1 ZINC000179693792 1429510213 /nfs/dbraw/zinc/51/02/13/1429510213.db2.gz WIJAMYGQBMTVHE-UHFFFAOYSA-N 0 1 396.457 3.296 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCc2ccco2)ccc1OCc1ccncc1 ZINC000179699078 1429512037 /nfs/dbraw/zinc/51/20/37/1429512037.db2.gz IMFFAGALPBUADM-MRXNPFEDSA-N 0 1 395.459 3.229 20 0 GGADMN O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179699946 1429513046 /nfs/dbraw/zinc/51/30/46/1429513046.db2.gz FSYKTOISBXLOKX-KRWDZBQOSA-N 0 1 384.505 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20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccn(Cc2ccccc2)c1=O)c1cccs1 ZINC000152529219 1422132443 /nfs/dbraw/zinc/13/24/43/1422132443.db2.gz WHHHVEDCMICXPC-SFHVURJKSA-N 0 1 396.516 3.383 20 0 GGADMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](CCCO)c1ccccc1 ZINC000179732849 1429527993 /nfs/dbraw/zinc/52/79/93/1429527993.db2.gz KWCHUJRXXQWQCH-MRXNPFEDSA-N 0 1 390.505 3.193 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000152569283 1422147833 /nfs/dbraw/zinc/14/78/33/1422147833.db2.gz NPXOCESOBIKVMB-KRWDZBQOSA-N 0 1 384.480 3.226 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)NC1(c2ccccc2F)CC1 ZINC000179735774 1429529019 /nfs/dbraw/zinc/52/90/19/1429529019.db2.gz MDKFBSSBMXZLCI-UHFFFAOYSA-N 0 1 388.349 3.384 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1 ZINC000152604310 1422159911 /nfs/dbraw/zinc/15/99/11/1422159911.db2.gz CVFLMPPPTUNTMU-SCWSEQNSSA-N 0 1 387.499 3.282 20 0 GGADMN CN(CC(=O)NCc1ccccn1)CC1(c2ccc(Br)cc2)CC1 ZINC000152607493 1422162108 /nfs/dbraw/zinc/16/21/08/1422162108.db2.gz DYNJGLRCLOSOAO-UHFFFAOYSA-N 0 1 388.309 3.124 20 0 GGADMN CC(C)CNC(=O)c1ccccc1NC(=O)CN[C@H](CCCO)c1ccccc1 ZINC000179747057 1429535190 /nfs/dbraw/zinc/53/51/90/1429535190.db2.gz QWKGYQKGZITNDR-HXUWFJFHSA-N 0 1 397.519 3.114 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NCC(=O)NC(=O)NCc1cccs1 ZINC000179746861 1429535206 /nfs/dbraw/zinc/53/52/06/1429535206.db2.gz YQGHBVXDCZRPEF-MRXNPFEDSA-N 0 1 375.494 3.214 20 0 GGADMN CCOc1ccccc1[C@H](CC)NCC(=O)NC(=O)NCc1cccs1 ZINC000179746851 1429535488 /nfs/dbraw/zinc/53/54/88/1429535488.db2.gz YQGHBVXDCZRPEF-INIZCTEOSA-N 0 1 375.494 3.214 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCC(=O)c3csc4ccccc34)C2)CC1 ZINC000152631824 1422178906 /nfs/dbraw/zinc/17/89/06/1422178906.db2.gz JSLVVVCUMJNSHA-QGZVFWFLSA-N 0 1 399.560 3.103 20 0 GGADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000179748366 1429535866 /nfs/dbraw/zinc/53/58/66/1429535866.db2.gz HJMQGHLKRDWODN-ICSRJNTNSA-N 0 1 396.535 3.258 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4ccc(Cl)cc4C3)n2)cc1 ZINC000152642888 1422184367 /nfs/dbraw/zinc/18/43/67/1422184367.db2.gz LURYKVUFRNWPBT-UHFFFAOYSA-N 0 1 397.866 3.402 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4ccc(Cl)cc4C3)n[nH]2)cc1 ZINC000152642888 1422184371 /nfs/dbraw/zinc/18/43/71/1422184371.db2.gz LURYKVUFRNWPBT-UHFFFAOYSA-N 0 1 397.866 3.402 20 0 GGADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000152652336 1422190212 /nfs/dbraw/zinc/19/02/12/1422190212.db2.gz KPYYOKLESOOGNH-OKILXGFUSA-N 0 1 386.414 3.401 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1C[C@H]2CCC[C@@H]2C1 ZINC000152655085 1422191494 /nfs/dbraw/zinc/19/14/94/1422191494.db2.gz IUUNQZHRLDEKMR-JHJVBQTASA-N 0 1 381.398 3.111 20 0 GGADMN C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152654807 1422192079 /nfs/dbraw/zinc/19/20/79/1422192079.db2.gz IUUNQZHRLDEKMR-RWMBFGLXSA-N 0 1 381.398 3.111 20 0 GGADMN O[C@@H](CN1CCN(CCc2ccccc2)CC1)c1ccccc1Br ZINC000152689953 1422210455 /nfs/dbraw/zinc/21/04/55/1422210455.db2.gz UKQTYWBPRFDZEP-FQEVSTJZSA-N 0 1 389.337 3.343 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2-n2cc(C)cn2)cc1F ZINC000152694395 1422212572 /nfs/dbraw/zinc/21/25/72/1422212572.db2.gz TYJINAQHMAPBBU-UHFFFAOYSA-N 0 1 375.425 3.438 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(N(C)C)n3)cc2)C[C@H](C)O1 ZINC000152698177 1422213764 /nfs/dbraw/zinc/21/37/64/1422213764.db2.gz YRQNDCVIFXDYQU-IRXDYDNUSA-N 0 1 397.523 3.079 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@@H](C)CCSC)CC1 ZINC000152717525 1422221492 /nfs/dbraw/zinc/22/14/92/1422221492.db2.gz IUWRNSJNKQIVEB-JKSUJKDBSA-N 0 1 396.576 3.469 20 0 GGADMN CN1CCCc2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000152718028 1422223501 /nfs/dbraw/zinc/22/35/01/1422223501.db2.gz WTTAGPWTHWHHEJ-UHFFFAOYSA-N 0 1 399.560 3.012 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC2 ZINC000152730070 1422227892 /nfs/dbraw/zinc/22/78/92/1422227892.db2.gz VFYGPBRVODVPDN-YADHBBJMSA-N 0 1 399.510 3.252 20 0 GGADMN COc1ccc(-n2nc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2C)cc1 ZINC000179754803 1429540196 /nfs/dbraw/zinc/54/01/96/1429540196.db2.gz JUCZMYDANAAUMB-GOSISDBHSA-N 0 1 384.505 3.284 20 0 GGADMN COc1ccccc1COC1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000179754822 1429540274 /nfs/dbraw/zinc/54/02/74/1429540274.db2.gz GEEZSNMMKQQVPZ-OAQYLSRUSA-N 0 1 380.488 3.482 20 0 GGADMN CCOc1cccc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000152736887 1422230745 /nfs/dbraw/zinc/23/07/45/1422230745.db2.gz SVBIYMYFERCJFB-VGSWGCGISA-N 0 1 392.503 3.077 20 0 GGADMN Cn1cc(C[NH2+]CCc2cccc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361755 1429540558 /nfs/dbraw/zinc/54/05/58/1429540558.db2.gz NFOWMZXAKIQNGR-UHFFFAOYSA-N 0 1 393.882 3.253 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@H](C)C(=O)OC(C)(C)C)nc1Cc1ccccc1 ZINC000152771702 1422243051 /nfs/dbraw/zinc/24/30/51/1422243051.db2.gz VEOVLLFLPWJCDY-CQSZACIVSA-N 0 1 389.521 3.247 20 0 GGADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1)c1ccc(F)cc1 ZINC000152774921 1422244230 /nfs/dbraw/zinc/24/42/30/1422244230.db2.gz JBQDTORSDDGNPI-UHFFFAOYSA-N 0 1 389.383 3.413 20 0 GGADMN CCn1ncc2ccc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc21 ZINC000179756606 1429541843 /nfs/dbraw/zinc/54/18/43/1429541843.db2.gz RVCMZNRXPLSAIU-HNNXBMFYSA-N 0 1 379.468 3.463 20 0 GGADMN CCOC(=O)c1cnc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(Cl)c1 ZINC000152785579 1422247450 /nfs/dbraw/zinc/24/74/50/1422247450.db2.gz LRWDLTGTBQGDMG-INIZCTEOSA-N 0 1 393.846 3.084 20 0 GGADMN O=C(CC1CCN(C[C@@H](O)c2ccccc2Br)CC1)N1CCCC1 ZINC000152787120 1422248842 /nfs/dbraw/zinc/24/88/42/1422248842.db2.gz HBQINTQSAWIPBA-GOSISDBHSA-N 0 1 395.341 3.207 20 0 GGADMN CCOc1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1F ZINC000152792266 1422250508 /nfs/dbraw/zinc/25/05/08/1422250508.db2.gz SZXCAXPCFUTCIJ-CYBMUJFWSA-N 0 1 381.469 3.487 20 0 GGADMN CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179756285 1429542092 /nfs/dbraw/zinc/54/20/92/1429542092.db2.gz NHYGMDCCTYXBLU-HNNXBMFYSA-N 0 1 387.390 3.444 20 0 GGADMN C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000152801806 1422253418 /nfs/dbraw/zinc/25/34/18/1422253418.db2.gz DCECJRZUTNYYPQ-AZUAARDMSA-N 0 1 389.540 3.082 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)nc2C)ccc1C ZINC000179756625 1429542212 /nfs/dbraw/zinc/54/22/12/1429542212.db2.gz NNJJNHONNZRCEU-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1 ZINC000179756072 1429542231 /nfs/dbraw/zinc/54/22/31/1429542231.db2.gz OGRDAQSDBDIZAM-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN O=S(=O)(Nc1ccc(F)nc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000152805267 1422255662 /nfs/dbraw/zinc/25/56/62/1422255662.db2.gz FMVGQMGNGFJVKL-UHFFFAOYSA-N 0 1 396.337 3.439 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000152811251 1422257072 /nfs/dbraw/zinc/25/70/72/1422257072.db2.gz PBGNZRUOERNUFT-ROUUACIJSA-N 0 1 395.507 3.174 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000152811251 1422257078 /nfs/dbraw/zinc/25/70/78/1422257078.db2.gz PBGNZRUOERNUFT-ROUUACIJSA-N 0 1 395.507 3.174 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1cccc(N(C)C)n1)N1CCCC1 ZINC000152815340 1422258842 /nfs/dbraw/zinc/25/88/42/1422258842.db2.gz MEAAUDFXADABOJ-QGZVFWFLSA-N 0 1 383.496 3.115 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@@H]3C[C@@H](C)O)n2)ccc1OC(F)F ZINC000152815939 1422259155 /nfs/dbraw/zinc/25/91/55/1422259155.db2.gz SBDRWGXYTTYACT-DGCLKSJQSA-N 0 1 383.395 3.082 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)nn1-c1cccc(Cl)c1 ZINC000179757183 1429543024 /nfs/dbraw/zinc/54/30/24/1429543024.db2.gz KHYXMPPKQZOTCV-HZPDHXFCSA-N 0 1 390.915 3.063 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCOc1ccc(F)cc1Cl ZINC000152853026 1422271867 /nfs/dbraw/zinc/27/18/67/1422271867.db2.gz MWZUFLRMOJUDDB-UHFFFAOYSA-N 0 1 393.846 3.047 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000152860277 1422274244 /nfs/dbraw/zinc/27/42/44/1422274244.db2.gz OHIWKBBKWBLHMC-UHFFFAOYSA-N 0 1 389.883 3.298 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000152875735 1422279041 /nfs/dbraw/zinc/27/90/41/1422279041.db2.gz CZBYKBMAFIORAE-FUHWJXTLSA-N 0 1 381.476 3.113 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)Cc1cccc(Cl)c1 ZINC000736536333 1429545110 /nfs/dbraw/zinc/54/51/10/1429545110.db2.gz JCTXINHWPSSJNG-UHFFFAOYSA-N 0 1 387.871 3.430 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000152916974 1422295358 /nfs/dbraw/zinc/29/53/58/1422295358.db2.gz RCWQOYXBFRWGEE-UHFFFAOYSA-N 0 1 397.479 3.208 20 0 GGADMN CC[C@H](CSc1ccccc1)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000152919047 1422296000 /nfs/dbraw/zinc/29/60/00/1422296000.db2.gz ZZBCOISSPMQWCO-RBUKOAKNSA-N 0 1 391.581 3.311 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(C(C)(C)C(N)=O)cc3)[nH]2)c1 ZINC000152929036 1422299317 /nfs/dbraw/zinc/29/93/17/1422299317.db2.gz OCMNCVLIHGDXHE-UHFFFAOYSA-N 0 1 392.459 3.409 20 0 GGADMN COc1ccc(F)cc1C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737098531 1429550789 /nfs/dbraw/zinc/55/07/89/1429550789.db2.gz FSFLDCAMKMMUHW-UHFFFAOYSA-N 0 1 383.427 3.058 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cnc(Cc4ccccc4)s3)cn2)CC1 ZINC000152941778 1422302740 /nfs/dbraw/zinc/30/27/40/1422302740.db2.gz JPNNHSMKDOCEAA-UHFFFAOYSA-N 0 1 393.516 3.133 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000152948824 1422305260 /nfs/dbraw/zinc/30/52/60/1422305260.db2.gz YGPWFIWFYDJPRH-LIVBEALHSA-N 0 1 376.497 3.328 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCOC4(CCCCC4)C3)n2)cc1 ZINC000152968100 1422311296 /nfs/dbraw/zinc/31/12/96/1422311296.db2.gz AWZJCMCAYWPBKJ-INIZCTEOSA-N 0 1 399.495 3.161 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3CCOC4(CCCCC4)C3)n[nH]2)cc1 ZINC000152968100 1422311302 /nfs/dbraw/zinc/31/13/02/1422311302.db2.gz AWZJCMCAYWPBKJ-INIZCTEOSA-N 0 1 399.495 3.161 20 0 GGADMN CC(=O)N(C)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000152977141 1422314254 /nfs/dbraw/zinc/31/42/54/1422314254.db2.gz FXJZEVSURIIZKE-UHFFFAOYSA-N 0 1 395.488 3.494 20 0 GGADMN COc1ccc(OC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)c([N+](=O)[O-])c1 ZINC000152980888 1422315756 /nfs/dbraw/zinc/31/57/56/1422315756.db2.gz LKCHYMUHMPLUJB-UHFFFAOYSA-N 0 1 380.360 3.485 20 0 GGADMN Cc1cn2c(ncc(C(=O)N3CCC[C@H]3c3nc4ccc(C)cc4[nH]3)c2=O)s1 ZINC000179763231 1429547437 /nfs/dbraw/zinc/54/74/37/1429547437.db2.gz SXSDZJOFMXPQSX-INIZCTEOSA-N 0 1 393.472 3.226 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)C2)CC1 ZINC000152990319 1422319441 /nfs/dbraw/zinc/31/94/41/1422319441.db2.gz QVGZQCJRGCKEHX-FPOVZHCZSA-N 0 1 384.568 3.122 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)C2)CC1 ZINC000152990212 1422319729 /nfs/dbraw/zinc/31/97/29/1422319729.db2.gz QVGZQCJRGCKEHX-CTNGQTDRSA-N 0 1 384.568 3.122 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179764203 1429547902 /nfs/dbraw/zinc/54/79/02/1429547902.db2.gz WHAUJMQRNPNTTO-MRXNPFEDSA-N 0 1 395.503 3.353 20 0 GGADMN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)CCc1ccccn1 ZINC000153013891 1422326527 /nfs/dbraw/zinc/32/65/27/1422326527.db2.gz YPDGBUFCABKUSR-MRXNPFEDSA-N 0 1 375.900 3.135 20 0 GGADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000153015298 1422327181 /nfs/dbraw/zinc/32/71/81/1422327181.db2.gz BIAVKTVEAUICQP-CSKARUKUSA-N 0 1 398.938 3.202 20 0 GGADMN Cc1ccc(CNCc2c[nH]nc2-c2cccnc2)c(OC[C@H]2CCOC2)c1 ZINC000153022642 1422329392 /nfs/dbraw/zinc/32/93/92/1422329392.db2.gz NCGMRRVGLGTTQD-KRWDZBQOSA-N 0 1 378.476 3.485 20 0 GGADMN Cc1ccc(CNCc2c[nH]nc2-c2cccnc2)c(OC[C@@H]2CCOC2)c1 ZINC000153022522 1422329484 /nfs/dbraw/zinc/32/94/84/1422329484.db2.gz NCGMRRVGLGTTQD-QGZVFWFLSA-N 0 1 378.476 3.485 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnc(Cl)cc2C)c1 ZINC000153021662 1422329813 /nfs/dbraw/zinc/32/98/13/1422329813.db2.gz HOXRITWKJCZFLQ-UHFFFAOYSA-N 0 1 375.233 3.284 20 0 GGADMN Cc1ccc(CNCc2cn(C)nc2-c2cccnc2)c(OC[C@@H]2CCOC2)c1 ZINC000153035047 1422334460 /nfs/dbraw/zinc/33/44/60/1422334460.db2.gz PKIUUVIKGXHGTL-GOSISDBHSA-N 0 1 392.503 3.496 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Cc3cccc4ccc(OC)cc43)CC2)c1 ZINC000153049242 1422338643 /nfs/dbraw/zinc/33/86/43/1422338643.db2.gz JBTOGMZIDAKLRJ-UHFFFAOYSA-N 0 1 391.471 3.143 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)N2CCCC2)o1 ZINC000153054642 1422341145 /nfs/dbraw/zinc/34/11/45/1422341145.db2.gz PJKUTOPQXATJND-QXAKKESOSA-N 0 1 385.512 3.214 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)N2CCCC2)o1 ZINC000153054738 1422341181 /nfs/dbraw/zinc/34/11/81/1422341181.db2.gz PJKUTOPQXATJND-YTQUADARSA-N 0 1 385.512 3.214 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 ZINC000153074736 1422347656 /nfs/dbraw/zinc/34/76/56/1422347656.db2.gz ZIPNBSHUTPTJBZ-DNVCBOLYSA-N 0 1 394.947 3.107 20 0 GGADMN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc21 ZINC000179768894 1429550998 /nfs/dbraw/zinc/55/09/98/1429550998.db2.gz VORRGMHRNPCMGI-UHFFFAOYSA-N 0 1 379.869 3.225 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)c2C1 ZINC000179769550 1429551044 /nfs/dbraw/zinc/55/10/44/1429551044.db2.gz YYFGDNVQVOZRHJ-CZUORRHYSA-N 0 1 383.414 3.054 20 0 GGADMN CC(C)n1c(=S)n(CN2CCN(Cc3ccccc3)C[C@H]2C)nc1N(C)C ZINC000153089707 1422352635 /nfs/dbraw/zinc/35/26/35/1422352635.db2.gz ZMKOPSUVOPYVEX-QGZVFWFLSA-N 0 1 388.585 3.225 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cc(C)cc(F)c1)N1CCCC1 ZINC000153091621 1422352866 /nfs/dbraw/zinc/35/28/66/1422352866.db2.gz FYVFAUKZEJIIBD-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2C1 ZINC000179767995 1429550192 /nfs/dbraw/zinc/55/01/92/1429550192.db2.gz LUPBIQICMWZGOI-UHFFFAOYSA-N 0 1 391.471 3.283 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H]2OCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000153101863 1422357190 /nfs/dbraw/zinc/35/71/90/1422357190.db2.gz DTQJOXMHGUJXSN-YSVLISHTSA-N 0 1 381.314 3.127 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C[C@H]2CCCCO2)CC1 ZINC000153140431 1422369171 /nfs/dbraw/zinc/36/91/71/1422369171.db2.gz CYOWVRXZYIAQNZ-QGZVFWFLSA-N 0 1 399.457 3.033 20 0 GGADMN COC(=O)c1ccccc1CN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000153149792 1422373202 /nfs/dbraw/zinc/37/32/02/1422373202.db2.gz FIPMOZPSXKUNGS-UHFFFAOYSA-N 0 1 398.478 3.449 20 0 GGADMN Cn1ccnc1Sc1ncc(C(=O)Nc2ccc3[nH]nnc3c2)cc1Cl ZINC000153154551 1422374303 /nfs/dbraw/zinc/37/43/03/1422374303.db2.gz FYWRIRDYEVDRTG-UHFFFAOYSA-N 0 1 385.840 3.143 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2cncc(C)c2)N2CCCCC2)cc1 ZINC000153157820 1422376143 /nfs/dbraw/zinc/37/61/43/1422376143.db2.gz UUDWJEGWKYNJCC-OAQYLSRUSA-N 0 1 382.508 3.425 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000153161605 1422377480 /nfs/dbraw/zinc/37/74/80/1422377480.db2.gz SXSXSEQCKGDRHM-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000153167303 1422379271 /nfs/dbraw/zinc/37/92/71/1422379271.db2.gz ZQVYZPDCAMWQSE-UWJYYQICSA-N 0 1 395.503 3.051 20 0 GGADMN C[C@@H](NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000153167155 1422379436 /nfs/dbraw/zinc/37/94/36/1422379436.db2.gz VJCOGOVDVDJNCS-NXHRZFHOSA-N 0 1 387.911 3.336 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC(OC(C)=O)CC3)ccc2c1 ZINC000153175380 1422381970 /nfs/dbraw/zinc/38/19/70/1422381970.db2.gz JSMLOPLZOJSSNN-INIZCTEOSA-N 0 1 398.503 3.223 20 0 GGADMN COc1ccc(-c2csc(NC(=O)CN3C[C@H]4CCC[C@@H]4C3)n2)c(OC)c1 ZINC000153180584 1422383420 /nfs/dbraw/zinc/38/34/20/1422383420.db2.gz MWILVLBOOLHBGI-ZIAGYGMSSA-N 0 1 387.505 3.498 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000153186702 1422385542 /nfs/dbraw/zinc/38/55/42/1422385542.db2.gz FBNLBGAHBPIIDB-PXNSSMCTSA-N 0 1 395.503 3.051 20 0 GGADMN CC[C@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(OC)cc1 ZINC000153189497 1422386752 /nfs/dbraw/zinc/38/67/52/1422386752.db2.gz UXEFZERSWLJDHI-ONTIZHBOSA-N 0 1 397.519 3.081 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000153195244 1422389047 /nfs/dbraw/zinc/38/90/47/1422389047.db2.gz AWAQZUJZCYOYHD-HNAYVOBHSA-N 0 1 385.895 3.224 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000153200864 1422390648 /nfs/dbraw/zinc/39/06/48/1422390648.db2.gz VQXODCAHXYJXOV-ACJLOTCBSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc2ccccc21 ZINC000153202840 1422391471 /nfs/dbraw/zinc/39/14/71/1422391471.db2.gz HQEBXPXWNXYRRM-VGSWGCGISA-N 0 1 387.483 3.415 20 0 GGADMN C[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769717 1429551195 /nfs/dbraw/zinc/55/11/95/1429551195.db2.gz MOAQVVRFQZOXJY-INIZCTEOSA-N 0 1 377.488 3.271 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000153212039 1422395427 /nfs/dbraw/zinc/39/54/27/1422395427.db2.gz KAUCGHJJFLYXBC-KXBFYZLASA-N 0 1 385.895 3.224 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CCN(c4ccccn4)C3)[nH]c2c1 ZINC000153212730 1422395472 /nfs/dbraw/zinc/39/54/72/1422395472.db2.gz DCMQQRWQECVSNP-LPHOPBHVSA-N 0 1 390.491 3.392 20 0 GGADMN O=c1cc(CN2CCC(N3CCCCC3=O)CC2)c2cc3c(cc2o1)CCC3 ZINC000153229475 1422404901 /nfs/dbraw/zinc/40/49/01/1422404901.db2.gz OHWNDRJCDWWASF-UHFFFAOYSA-N 0 1 380.488 3.259 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000179772042 1429552427 /nfs/dbraw/zinc/55/24/27/1429552427.db2.gz KRTUDVSGPBMEEG-CQSZACIVSA-N 0 1 394.475 3.283 20 0 GGADMN CCCN(CCCC(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000153240703 1422412518 /nfs/dbraw/zinc/41/25/18/1422412518.db2.gz AEFPBYBKRWPMPJ-SFHVURJKSA-N 0 1 380.554 3.230 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000179773536 1429553030 /nfs/dbraw/zinc/55/30/30/1429553030.db2.gz RGNJWXZGYBQDHT-QMMMGPOBSA-N 0 1 395.091 3.158 20 0 GGADMN CCCCN(CCCC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000153256259 1422421596 /nfs/dbraw/zinc/42/15/96/1422421596.db2.gz ILODLKDSXNLUSS-GOSISDBHSA-N 0 1 380.554 3.311 20 0 GGADMN C[C@@H]1CN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)C[C@@H](C)N1 ZINC000153255881 1422421958 /nfs/dbraw/zinc/42/19/58/1422421958.db2.gz XIEFHDOYWLDAOQ-HUUCEWRRSA-N 0 1 378.542 3.021 20 0 GGADMN C[C@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179778016 1429556911 /nfs/dbraw/zinc/55/69/11/1429556911.db2.gz PGTITKNPPXDPPF-HNNXBMFYSA-N 0 1 399.466 3.020 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cccc(C2OCCO2)c1)N1CCCC1 ZINC000153287145 1422442734 /nfs/dbraw/zinc/44/27/34/1422442734.db2.gz RPVALNHAGQTCJZ-FQEVSTJZSA-N 0 1 396.487 3.308 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cccc(C2OCCO2)c1)N1CCCC1 ZINC000153287033 1422443257 /nfs/dbraw/zinc/44/32/57/1422443257.db2.gz RPVALNHAGQTCJZ-HXUWFJFHSA-N 0 1 396.487 3.308 20 0 GGADMN C[C@H](NCC(=O)N1CCc2sccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179779149 1429557982 /nfs/dbraw/zinc/55/79/82/1429557982.db2.gz OYACCXATRAKZEI-AWEZNQCLSA-N 0 1 383.517 3.332 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)N[C@@H](c3cccc(C)c3)C(F)(F)F)CCO2)n[nH]1 ZINC000153296819 1422449853 /nfs/dbraw/zinc/44/98/53/1422449853.db2.gz SSTVSTPKOZPLFN-HIFRSBDPSA-N 0 1 397.401 3.062 20 0 GGADMN COc1cc(OC)c(CN2CCC[C@H](c3nnc4ccccn43)C2)c(OC)c1 ZINC000179780212 1429558861 /nfs/dbraw/zinc/55/88/61/1429558861.db2.gz PQYXBSBUTJHKPZ-HNNXBMFYSA-N 0 1 382.464 3.135 20 0 GGADMN CCc1noc(CC)c1CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000153308476 1422457906 /nfs/dbraw/zinc/45/79/06/1422457906.db2.gz YZFCWLITJTWGSF-UHFFFAOYSA-N 0 1 385.508 3.085 20 0 GGADMN O=C(C[C@@H]1COCCN1C(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1 ZINC000153308526 1422459677 /nfs/dbraw/zinc/45/96/77/1422459677.db2.gz RKTFZBKUWPHTJG-OAHLLOKOSA-N 0 1 381.457 3.252 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179781694 1429559579 /nfs/dbraw/zinc/55/95/79/1429559579.db2.gz IZXXEDNZMBFZLR-INIZCTEOSA-N 0 1 395.503 3.401 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000153330507 1422473219 /nfs/dbraw/zinc/47/32/19/1422473219.db2.gz JFHNRXAHAKAHGV-IEBWSBKVSA-N 0 1 390.553 3.138 20 0 GGADMN CCc1noc(CC)c1CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000153334517 1422476951 /nfs/dbraw/zinc/47/69/51/1422476951.db2.gz NEFOERMPBYFNNX-UHFFFAOYSA-N 0 1 390.915 3.386 20 0 GGADMN CN1CCN(c2ccc(NCc3csc(COc4ccccc4)n3)cn2)CC1 ZINC000153334258 1422477511 /nfs/dbraw/zinc/47/75/11/1422477511.db2.gz TXRUEEPZCDVYLF-UHFFFAOYSA-N 0 1 395.532 3.481 20 0 GGADMN CCc1nn(C)c(Cl)c1CN[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000153355001 1422488791 /nfs/dbraw/zinc/48/87/91/1422488791.db2.gz QGCJESRMWOGTFZ-HNNXBMFYSA-N 0 1 392.931 3.017 20 0 GGADMN CSCc1noc(CCC(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)n1 ZINC000153355663 1422488828 /nfs/dbraw/zinc/48/88/28/1422488828.db2.gz TVICFSIXOIRQIH-UHFFFAOYSA-N 0 1 394.460 3.442 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc12 ZINC000153365225 1422497581 /nfs/dbraw/zinc/49/75/81/1422497581.db2.gz SVRYGPDOTIQTRO-BETUJISGSA-N 0 1 386.496 3.416 20 0 GGADMN CCC(=O)N1CC[C@H](NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)N(CC)CC)C1 ZINC000153376865 1422505026 /nfs/dbraw/zinc/50/50/26/1422505026.db2.gz CUMQNSQEIZVPGA-FUHWJXTLSA-N 0 1 399.457 3.215 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCCc3ccc(CC(C)C)cc3)C2)CC1 ZINC000153393929 1422512140 /nfs/dbraw/zinc/51/21/40/1422512140.db2.gz QZVUOBNUBUTQKK-QHCPKHFHSA-N 0 1 385.596 3.446 20 0 GGADMN Cc1c(C(=O)N(C)[C@H]2CCCN(C)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000153401906 1422515559 /nfs/dbraw/zinc/51/55/59/1422515559.db2.gz RRXUAIFBCIRSSQ-NRFANRHFSA-N 0 1 389.503 3.409 20 0 GGADMN C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000153402686 1422516601 /nfs/dbraw/zinc/51/66/01/1422516601.db2.gz SUIDVZXEFWQNDU-FOIQADDNSA-N 0 1 382.460 3.426 20 0 GGADMN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cccc(-c3nnc[nH]3)c2)o1 ZINC000153404569 1422517123 /nfs/dbraw/zinc/51/71/23/1422517123.db2.gz DWEQDNGNUXKSQD-SFHVURJKSA-N 0 1 386.415 3.103 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000153418758 1422524379 /nfs/dbraw/zinc/52/43/79/1422524379.db2.gz BWMIRVVGHRMIJT-CTNGQTDRSA-N 0 1 377.529 3.073 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000153418660 1422524414 /nfs/dbraw/zinc/52/44/14/1422524414.db2.gz BWMIRVVGHRMIJT-PZJWPPBQSA-N 0 1 377.529 3.073 20 0 GGADMN CC[C@H](NC[C@H](O)COc1ccc(C(=O)OC)cc1)c1cc(F)ccc1F ZINC000179788491 1429564612 /nfs/dbraw/zinc/56/46/12/1429564612.db2.gz PBWUBQNMQJHSIN-KXBFYZLASA-N 0 1 379.403 3.232 20 0 GGADMN CC[C@@H](NC[C@@H](O)COc1ccc(C(=O)OC)cc1)c1cc(F)ccc1F ZINC000179788526 1429564918 /nfs/dbraw/zinc/56/49/18/1429564918.db2.gz PBWUBQNMQJHSIN-DNVCBOLYSA-N 0 1 379.403 3.232 20 0 GGADMN Cc1cc(F)cc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000153428411 1422530735 /nfs/dbraw/zinc/53/07/35/1422530735.db2.gz XVZSFQAPTQUJKG-HXUWFJFHSA-N 0 1 383.467 3.196 20 0 GGADMN Cc1cc(F)cc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000153428503 1422531067 /nfs/dbraw/zinc/53/10/67/1422531067.db2.gz XVZSFQAPTQUJKG-FQEVSTJZSA-N 0 1 383.467 3.196 20 0 GGADMN c1ccc2c(NC3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)cc[nH+]c2c1 ZINC000826523637 1429565160 /nfs/dbraw/zinc/56/51/60/1429565160.db2.gz SBKNNSMRVQCGRX-UHFFFAOYSA-N 0 1 387.447 3.034 20 0 GGADMN Cc1[nH]c(SCC(=O)Nc2ccc3n[nH]nc3c2)nc1Cc1ccccc1 ZINC000153431489 1422532353 /nfs/dbraw/zinc/53/23/53/1422532353.db2.gz WKSYCQMKDSTEHW-UHFFFAOYSA-N 0 1 378.461 3.311 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000153441089 1422537683 /nfs/dbraw/zinc/53/76/83/1422537683.db2.gz OFKPFTGXZLUEJY-CALCHBBNSA-N 0 1 385.512 3.016 20 0 GGADMN O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179789656 1429565735 /nfs/dbraw/zinc/56/57/35/1429565735.db2.gz IFTOZWNGMLOMGD-HNNXBMFYSA-N 0 1 377.452 3.484 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000153488796 1422566146 /nfs/dbraw/zinc/56/61/46/1422566146.db2.gz MAQIPACRLNLBBE-KRWDZBQOSA-N 0 1 378.407 3.346 20 0 GGADMN Cc1nc(C(=O)Nc2ccc3[nH]nnc3c2)nn1-c1c(Cl)cccc1Cl ZINC000153503664 1422574142 /nfs/dbraw/zinc/57/41/42/1422574142.db2.gz VRXGMBYDQYXYMQ-UHFFFAOYSA-N 0 1 388.218 3.406 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSc2nc3ccccc3[nH]2)N(C)C)c1 ZINC000153508867 1422577351 /nfs/dbraw/zinc/57/73/51/1422577351.db2.gz XRIIDVHHUNGPFH-SFHVURJKSA-N 0 1 384.505 3.083 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153524115 1422584290 /nfs/dbraw/zinc/58/42/90/1422584290.db2.gz JIJJMUHMKHWAJF-PSFFPDNBSA-N 0 1 397.922 3.417 20 0 GGADMN COc1ccccc1[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153525133 1422586059 /nfs/dbraw/zinc/58/60/59/1422586059.db2.gz GNQSXEWPKOTHKR-MRXNPFEDSA-N 0 1 379.420 3.309 20 0 GGADMN CN1CC[C@H](CNC(=O)NC[C@@H](O)C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000153534914 1422590881 /nfs/dbraw/zinc/59/08/81/1422590881.db2.gz YEUMWBFZLBALKB-KBRIMQKVSA-N 0 1 385.911 3.178 20 0 GGADMN Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)c2cnn(Cc3cccs3)c2n1 ZINC000153533748 1422591580 /nfs/dbraw/zinc/59/15/80/1422591580.db2.gz LNQFTSFJMYXBTF-UHFFFAOYSA-N 0 1 389.444 3.373 20 0 GGADMN COc1ccccc1[C@@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000153539056 1422595470 /nfs/dbraw/zinc/59/54/70/1422595470.db2.gz GRFSPIWNCYNXCC-MRXNPFEDSA-N 0 1 379.420 3.309 20 0 GGADMN C[C@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1ccc(F)cc1Cl ZINC000153541215 1422597399 /nfs/dbraw/zinc/59/73/99/1422597399.db2.gz KKPARQFYXHURGO-KBPBESRZSA-N 0 1 383.895 3.435 20 0 GGADMN Cc1c(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cnn1C1CCOCC1 ZINC000179797090 1429571501 /nfs/dbraw/zinc/57/15/01/1429571501.db2.gz XHUJXVQGWAMMNC-UHFFFAOYSA-N 0 1 396.535 3.110 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCc2cncc(C)c2)CC1 ZINC000153556801 1422612932 /nfs/dbraw/zinc/61/29/32/1422612932.db2.gz NKHZCLBEIZASNU-KRWDZBQOSA-N 0 1 399.514 3.231 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ncc(-c2ccccc2)o1 ZINC000153559494 1422614680 /nfs/dbraw/zinc/61/46/80/1422614680.db2.gz YMYVCGPXCSOJAR-BBWFWOEESA-N 0 1 386.496 3.201 20 0 GGADMN CC[C@H](CCO)CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153560287 1422616339 /nfs/dbraw/zinc/61/63/39/1422616339.db2.gz DYYUMOGLBHDDPL-DDUZABMNSA-N 0 1 385.911 3.180 20 0 GGADMN CC[C@H](CCO)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153560035 1422616933 /nfs/dbraw/zinc/61/69/33/1422616933.db2.gz DYYUMOGLBHDDPL-QIIPPGSGSA-N 0 1 385.911 3.180 20 0 GGADMN CC(C)C[C@H](CO)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153565583 1422619336 /nfs/dbraw/zinc/61/93/36/1422619336.db2.gz BQTICVMERZGKSF-HDMKZQKVSA-N 0 1 385.911 3.178 20 0 GGADMN CC(C)C[C@@H](CO)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153565496 1422620135 /nfs/dbraw/zinc/62/01/35/1422620135.db2.gz BQTICVMERZGKSF-RLFYNMQTSA-N 0 1 385.911 3.178 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1)N1CCN(C)CC1 ZINC000153565758 1422621128 /nfs/dbraw/zinc/62/11/28/1422621128.db2.gz MGCMAYILJIZOTI-RTWAWAEBSA-N 0 1 386.584 3.094 20 0 GGADMN CC(C)C[C@@H](CO)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153565685 1422621619 /nfs/dbraw/zinc/62/16/19/1422621619.db2.gz BQTICVMERZGKSF-RVKKMQEKSA-N 0 1 385.911 3.178 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccco2)Cc2cccnc2)n[nH]1 ZINC000153565963 1422621735 /nfs/dbraw/zinc/62/17/35/1422621735.db2.gz WZWIZVGGPBTEII-UHFFFAOYSA-N 0 1 390.447 3.258 20 0 GGADMN CC(C)[C@H](CCO)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153567493 1422622890 /nfs/dbraw/zinc/62/28/90/1422622890.db2.gz ZOSAJHMOHFAZTF-JCGIZDLHSA-N 0 1 385.911 3.178 20 0 GGADMN C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153570542 1422623802 /nfs/dbraw/zinc/62/38/02/1422623802.db2.gz MHMQSOUMJYVCCT-BWQRHGBYSA-N 0 1 385.911 3.178 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCOC[C@@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153572868 1422626207 /nfs/dbraw/zinc/62/62/07/1422626207.db2.gz QWTWYRJOGDUVAE-LZQZEXGQSA-N 0 1 395.906 3.292 20 0 GGADMN CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000153604314 1422643940 /nfs/dbraw/zinc/64/39/40/1422643940.db2.gz VDVOOTVMKMRCGG-UHFFFAOYSA-N 0 1 397.866 3.155 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Oc3cccc(C(=O)N(C)C)c3)[nH]2)c1 ZINC000179801012 1429574344 /nfs/dbraw/zinc/57/43/44/1429574344.db2.gz IQWRKFQDTJMIJU-UHFFFAOYSA-N 0 1 379.416 3.315 20 0 GGADMN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000153606402 1422645705 /nfs/dbraw/zinc/64/57/05/1422645705.db2.gz NRKRJFAMSIVYIQ-UHFFFAOYSA-N 0 1 396.410 3.218 20 0 GGADMN CC1(c2ccccc2)CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000153609663 1422646857 /nfs/dbraw/zinc/64/68/57/1422646857.db2.gz QHLXTVNGTAYTLD-UHFFFAOYSA-N 0 1 397.494 3.088 20 0 GGADMN O=C(NCc1ccc2ccccc2c1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000153620105 1422652721 /nfs/dbraw/zinc/65/27/21/1422652721.db2.gz NPAPRFZLJQRHJS-DHIUTWEWSA-N 0 1 389.499 3.274 20 0 GGADMN CC[C@H](NC[C@H](O)COc1ccc(NC(C)=O)cc1)c1cc(F)ccc1F ZINC000179802251 1429575274 /nfs/dbraw/zinc/57/52/74/1429575274.db2.gz DUWBZGIWYSNBBL-JXFKEZNVSA-N 0 1 378.419 3.404 20 0 GGADMN CC[C@@H](NC[C@@H](O)COc1ccc(NC(C)=O)cc1)c1cc(F)ccc1F ZINC000179802294 1429575374 /nfs/dbraw/zinc/57/53/74/1429575374.db2.gz DUWBZGIWYSNBBL-OXQOHEQNSA-N 0 1 378.419 3.404 20 0 GGADMN CN(Cc1cccc2nccn21)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000179801716 1429575428 /nfs/dbraw/zinc/57/54/28/1429575428.db2.gz YEAJDXWWBBJRLI-OAHLLOKOSA-N 0 1 379.382 3.225 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)o1 ZINC000153632796 1422662069 /nfs/dbraw/zinc/66/20/69/1422662069.db2.gz JJRGJBDSFCCYFN-CQSZACIVSA-N 0 1 380.326 3.082 20 0 GGADMN COc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H]3CCCN(C)C3)s2)cc1OC ZINC000153643309 1422672074 /nfs/dbraw/zinc/67/20/74/1422672074.db2.gz GCNTYJKZEMBPLG-OAHLLOKOSA-N 0 1 389.521 3.302 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)c1cccc(F)c1 ZINC000179803639 1429576858 /nfs/dbraw/zinc/57/68/58/1429576858.db2.gz PTFUIQRFAINETG-HNNXBMFYSA-N 0 1 399.800 3.115 20 0 GGADMN O=c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000153655518 1422680824 /nfs/dbraw/zinc/68/08/24/1422680824.db2.gz XCVGKCPYFRKTIH-FQEVSTJZSA-N 0 1 385.464 3.403 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822595924 1429577559 /nfs/dbraw/zinc/57/75/59/1429577559.db2.gz FLKCSHYPXWFRQT-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@@]2(C)CCCO2)N2CCCCC2)cc1 ZINC000153683304 1422700701 /nfs/dbraw/zinc/70/07/01/1422700701.db2.gz XECXIPQGCJFYCD-PZJWPPBQSA-N 0 1 375.513 3.091 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360539 1429579322 /nfs/dbraw/zinc/57/93/22/1429579322.db2.gz ONNWHGNVJONJKO-SFHVURJKSA-N 0 1 399.502 3.332 20 0 GGADMN Cn1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360539 1429579325 /nfs/dbraw/zinc/57/93/25/1429579325.db2.gz ONNWHGNVJONJKO-SFHVURJKSA-N 0 1 399.502 3.332 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360539 1429579329 /nfs/dbraw/zinc/57/93/29/1429579329.db2.gz ONNWHGNVJONJKO-SFHVURJKSA-N 0 1 399.502 3.332 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(C)(c3ccccc3)CC2)c1 ZINC000153695253 1422706485 /nfs/dbraw/zinc/70/64/85/1422706485.db2.gz NZCLVZSOEGDIGV-QGZVFWFLSA-N 0 1 379.504 3.427 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C[C@H](C)N1 ZINC000153721379 1422721758 /nfs/dbraw/zinc/72/17/58/1422721758.db2.gz RMZNYLCXGIQETD-OKILXGFUSA-N 0 1 380.423 3.365 20 0 GGADMN COC(=O)[C@H](C)CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C1CC1 ZINC000153724789 1422723847 /nfs/dbraw/zinc/72/38/47/1422723847.db2.gz NHDMOFYNSXVHHI-MRXNPFEDSA-N 0 1 395.503 3.057 20 0 GGADMN Cc1cccc(C(C)(C)CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000153725518 1422725578 /nfs/dbraw/zinc/72/55/78/1422725578.db2.gz ZNCZXGQBZCXOMP-QFIPXVFZSA-N 0 1 390.531 3.204 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179810791 1429584687 /nfs/dbraw/zinc/58/46/87/1429584687.db2.gz BWJYDQWDAFJNHW-YJBOKZPZSA-N 0 1 397.479 3.261 20 0 GGADMN CCc1nc(C(=O)N(C)[C@H]2CCCN(C)C2)nn1-c1c(Cl)cccc1Cl ZINC000153770138 1422746776 /nfs/dbraw/zinc/74/67/76/1422746776.db2.gz VIWMHFJKQFSAFA-LBPRGKRZSA-N 0 1 396.322 3.303 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000153772814 1422748170 /nfs/dbraw/zinc/74/81/70/1422748170.db2.gz CBASQACLQNZTFS-IBGZPJMESA-N 0 1 381.863 3.059 20 0 GGADMN C[C@@H](OC[C@@H](O)CN1CCN(c2cccc(O)c2)CC1)c1ccc(Cl)cc1 ZINC000153778362 1422751317 /nfs/dbraw/zinc/75/13/17/1422751317.db2.gz FHYSDHIQBJGJOL-IERDGZPVSA-N 0 1 390.911 3.306 20 0 GGADMN COc1cc(CN[C@@H]2CCN(c3ccccc3F)C2=O)c(SC)cc1OC ZINC000153782711 1422755561 /nfs/dbraw/zinc/75/55/61/1422755561.db2.gz QMXYJQTWTNLGIY-OAHLLOKOSA-N 0 1 390.480 3.460 20 0 GGADMN Cc1cccnc1[C@H](NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C(C)C ZINC000153786603 1422757459 /nfs/dbraw/zinc/75/74/59/1422757459.db2.gz SMCGFGQKTMHJQJ-QHAWAJNXSA-N 0 1 396.535 3.022 20 0 GGADMN O=C(CN1CC[C@]2(CCOC2)C1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000153788253 1422758131 /nfs/dbraw/zinc/75/81/31/1422758131.db2.gz GFYMUMDAURSRNU-QHCPKHFHSA-N 0 1 377.488 3.432 20 0 GGADMN O=C(CN1CC[C@@]2(CCOC2)C1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000153788370 1422758763 /nfs/dbraw/zinc/75/87/63/1422758763.db2.gz GFYMUMDAURSRNU-HSZRJFAPSA-N 0 1 377.488 3.432 20 0 GGADMN CCc1ccc([C@@H]2COCCN2C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)o1 ZINC000153795397 1422762531 /nfs/dbraw/zinc/76/25/31/1422762531.db2.gz GZOGFHZZVZCUMM-IBGZPJMESA-N 0 1 381.432 3.454 20 0 GGADMN CCc1ccc([C@H]2COCCN2C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)o1 ZINC000153795512 1422762739 /nfs/dbraw/zinc/76/27/39/1422762739.db2.gz GZOGFHZZVZCUMM-LJQANCHMSA-N 0 1 381.432 3.454 20 0 GGADMN C[C@@H]1CN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)C[C@@H](C)N1 ZINC000153802965 1422766471 /nfs/dbraw/zinc/76/64/71/1422766471.db2.gz HSXFAMYKILDDQC-ZIAGYGMSSA-N 0 1 398.532 3.097 20 0 GGADMN C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824593315 1429584140 /nfs/dbraw/zinc/58/41/40/1429584140.db2.gz QLXVPZJSAXCENK-HNNXBMFYSA-N 0 1 380.471 3.105 20 0 GGADMN C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824593315 1429584143 /nfs/dbraw/zinc/58/41/43/1429584143.db2.gz QLXVPZJSAXCENK-HNNXBMFYSA-N 0 1 380.471 3.105 20 0 GGADMN C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824593315 1429584146 /nfs/dbraw/zinc/58/41/46/1429584146.db2.gz QLXVPZJSAXCENK-HNNXBMFYSA-N 0 1 380.471 3.105 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179810765 1429584451 /nfs/dbraw/zinc/58/44/51/1429584451.db2.gz BWJYDQWDAFJNHW-MAUKXSAKSA-N 0 1 397.479 3.261 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000153819761 1422778594 /nfs/dbraw/zinc/77/85/94/1422778594.db2.gz NIYQHFJRPCXMNZ-MRXNPFEDSA-N 0 1 380.414 3.303 20 0 GGADMN NC(=O)c1ccccc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000179812843 1429585573 /nfs/dbraw/zinc/58/55/73/1429585573.db2.gz BJQLKHGHOQKHOR-OAQYLSRUSA-N 0 1 391.446 3.437 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c(F)c1 ZINC000153822990 1422780009 /nfs/dbraw/zinc/78/00/09/1422780009.db2.gz ZFNJTWXQSHHEBK-FQEVSTJZSA-N 0 1 396.466 3.366 20 0 GGADMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000153832022 1422786250 /nfs/dbraw/zinc/78/62/50/1422786250.db2.gz HKKILEVWHVGEEJ-UHFFFAOYSA-N 0 1 376.478 3.116 20 0 GGADMN CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000153840012 1422792190 /nfs/dbraw/zinc/79/21/90/1422792190.db2.gz VBFOLTXAGOHWCB-PGRDOPGGSA-N 0 1 399.579 3.395 20 0 GGADMN CCNC(=O)c1cccc(OC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1 ZINC000179813821 1429586828 /nfs/dbraw/zinc/58/68/28/1429586828.db2.gz WXEZKZPEPCFSRY-UHFFFAOYSA-N 0 1 379.416 3.363 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826331951 1429587571 /nfs/dbraw/zinc/58/75/71/1429587571.db2.gz FIOWXPNFEMSRLQ-IBGZPJMESA-N 0 1 385.475 3.480 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826331951 1429587576 /nfs/dbraw/zinc/58/75/76/1429587576.db2.gz FIOWXPNFEMSRLQ-IBGZPJMESA-N 0 1 385.475 3.480 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826331951 1429587584 /nfs/dbraw/zinc/58/75/84/1429587584.db2.gz FIOWXPNFEMSRLQ-IBGZPJMESA-N 0 1 385.475 3.480 20 0 GGADMN CCCN1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000153880742 1422804433 /nfs/dbraw/zinc/80/44/33/1422804433.db2.gz HSRCPZYBSIZKNE-UHFFFAOYSA-N 0 1 381.402 3.451 20 0 GGADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(C)C[C@H]3C(C)C)c12 ZINC000153883067 1422804919 /nfs/dbraw/zinc/80/49/19/1422804919.db2.gz UQLVPMOBWBPHIR-KRWDZBQOSA-N 0 1 397.548 3.417 20 0 GGADMN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000153907145 1422808720 /nfs/dbraw/zinc/80/87/20/1422808720.db2.gz RCHOKBILMWRHKB-BEFAXECRSA-N 0 1 377.504 3.020 20 0 GGADMN COc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000153929303 1422812687 /nfs/dbraw/zinc/81/26/87/1422812687.db2.gz IXHYXYLEFWIQNZ-IYBDPMFKSA-N 0 1 384.476 3.105 20 0 GGADMN C[C@H]1CN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C[C@H](C)N1 ZINC000153946502 1422815383 /nfs/dbraw/zinc/81/53/83/1422815383.db2.gz NHRBPYBNZPHKNW-HOTGVXAUSA-N 0 1 391.471 3.436 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CCN(CC2CC2)CC1 ZINC000153960594 1422817220 /nfs/dbraw/zinc/81/72/20/1422817220.db2.gz BFNITOZZNCCQRT-UHFFFAOYSA-N 0 1 393.413 3.451 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccncc1)Nc1cccc(CN2CCSCC2)c1 ZINC000153974578 1422819567 /nfs/dbraw/zinc/81/95/67/1422819567.db2.gz UBXXBYFGEAEJCP-OAQYLSRUSA-N 0 1 396.560 3.406 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)c2cnn(Cc3cccs3)c2n1 ZINC000153987552 1422821423 /nfs/dbraw/zinc/82/14/23/1422821423.db2.gz URUXRKHJRIMGTQ-IBGZPJMESA-N 0 1 397.548 3.262 20 0 GGADMN Fc1cccnc1N1CC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000153988779 1422821661 /nfs/dbraw/zinc/82/16/61/1422821661.db2.gz LQRDUQYDHKGBAG-AWEZNQCLSA-N 0 1 398.463 3.441 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccn(-c4ccccc4)n3)C2)c1 ZINC000153994177 1422822579 /nfs/dbraw/zinc/82/25/79/1422822579.db2.gz VQIFYGCHTOVCKN-GOSISDBHSA-N 0 1 378.476 3.258 20 0 GGADMN COc1cc(CN2CC[C@@H](NCc3ccn(-c4ccccc4)n3)C2)cc(OC)c1 ZINC000153996211 1422822782 /nfs/dbraw/zinc/82/27/82/1422822782.db2.gz VHPBVCFFCFPBCR-HXUWFJFHSA-N 0 1 392.503 3.254 20 0 GGADMN COc1cc(CN2CC[C@H](NCc3ccn(-c4ccccc4)n3)C2)cc(OC)c1 ZINC000153996077 1422822905 /nfs/dbraw/zinc/82/29/05/1422822905.db2.gz VHPBVCFFCFPBCR-FQEVSTJZSA-N 0 1 392.503 3.254 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1F ZINC000153998580 1422823333 /nfs/dbraw/zinc/82/33/33/1422823333.db2.gz DQCMSWSOKNMVOQ-UHFFFAOYSA-N 0 1 398.265 3.449 20 0 GGADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000154000728 1422823636 /nfs/dbraw/zinc/82/36/36/1422823636.db2.gz BSFRASLWGBRSDW-HKUYNNGSSA-N 0 1 394.604 3.223 20 0 GGADMN CC(C)CC[C@@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000154003808 1422823957 /nfs/dbraw/zinc/82/39/57/1422823957.db2.gz NNFDZJRNHGFRCW-IBGZPJMESA-N 0 1 394.604 3.223 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C[NH+](C)C)ccc2C)ccc1Cl ZINC000154016312 1422826101 /nfs/dbraw/zinc/82/61/01/1422826101.db2.gz XVTOEWBPEVMKFK-UHFFFAOYSA-N 0 1 396.896 3.297 20 0 GGADMN COc1ccccc1C(=O)NCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000154016843 1422826117 /nfs/dbraw/zinc/82/61/17/1422826117.db2.gz FQCYEMMYEGPMRA-UHFFFAOYSA-N 0 1 390.399 3.200 20 0 GGADMN O=C(CSCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000154020196 1422826813 /nfs/dbraw/zinc/82/68/13/1422826813.db2.gz YXBTYRDFAODSGY-ZDUSSCGKSA-N 0 1 396.862 3.422 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N(Cc3ccc(O)cc3)CC3CC3)c2)CC1 ZINC000154021627 1422827163 /nfs/dbraw/zinc/82/71/63/1422827163.db2.gz OSPWCHCVULNUMG-UHFFFAOYSA-N 0 1 393.531 3.192 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)N1 ZINC000154048671 1422831541 /nfs/dbraw/zinc/83/15/41/1422831541.db2.gz FJDIVWUIYNPDHD-VNHYZAJKSA-N 0 1 398.334 3.054 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C[NH+](C)C)ccc2C)c1 ZINC000154050071 1422831882 /nfs/dbraw/zinc/83/18/82/1422831882.db2.gz NJJBBFPOGFCGKK-UHFFFAOYSA-N 0 1 394.468 3.173 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)N1CCN(C)CC1 ZINC000179821992 1429594775 /nfs/dbraw/zinc/59/47/75/1429594775.db2.gz VYRASUFWQBOWSP-AWEZNQCLSA-N 0 1 397.910 3.458 20 0 GGADMN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NOCc1cccnc1 ZINC000154112587 1422842176 /nfs/dbraw/zinc/84/21/76/1422842176.db2.gz QDXRXWAMIJFNFC-MRXNPFEDSA-N 0 1 397.378 3.079 20 0 GGADMN C[C@H](C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)N1CCN(C)CC1 ZINC000179822005 1429594830 /nfs/dbraw/zinc/59/48/30/1429594830.db2.gz VYRASUFWQBOWSP-CQSZACIVSA-N 0 1 397.910 3.458 20 0 GGADMN NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000179822023 1429594926 /nfs/dbraw/zinc/59/49/26/1429594926.db2.gz XRGOTECZHCYDSB-INIZCTEOSA-N 0 1 383.839 3.365 20 0 GGADMN O=S(=O)(CCCCCl)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000154129043 1422844136 /nfs/dbraw/zinc/84/41/36/1422844136.db2.gz RAZGZGFBHCRVTB-UHFFFAOYSA-N 0 1 393.380 3.490 20 0 GGADMN CCOc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)ccc1OCCOc1ccccc1 ZINC000154147266 1422846743 /nfs/dbraw/zinc/84/67/43/1422846743.db2.gz OGYCMEBKMNLVQW-HDICACEKSA-N 0 1 398.503 3.366 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154167942 1422849400 /nfs/dbraw/zinc/84/94/00/1422849400.db2.gz DMUDGGVBWZMBPB-UHFFFAOYSA-N 0 1 388.556 3.104 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000154170960 1422850266 /nfs/dbraw/zinc/85/02/66/1422850266.db2.gz LLFUJPKKBFPWSQ-GOSISDBHSA-N 0 1 397.519 3.381 20 0 GGADMN O=C(CCn1ccccc1=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000154182452 1422851492 /nfs/dbraw/zinc/85/14/92/1422851492.db2.gz FBNPPJBFJMDUOZ-UHFFFAOYSA-N 0 1 385.427 3.329 20 0 GGADMN O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000154200551 1422854084 /nfs/dbraw/zinc/85/40/84/1422854084.db2.gz FGVBBKZSPSXLLL-FXAWDEMLSA-N 0 1 390.886 3.021 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000154203746 1422854480 /nfs/dbraw/zinc/85/44/80/1422854480.db2.gz PPQZHFGZQPAXIG-INIZCTEOSA-N 0 1 386.492 3.239 20 0 GGADMN O=C(NC1CCCCC1)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000154213560 1422856041 /nfs/dbraw/zinc/85/60/41/1422856041.db2.gz LSCQSXNFDIQHMD-UHFFFAOYSA-N 0 1 399.470 3.016 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000154215973 1422856467 /nfs/dbraw/zinc/85/64/67/1422856467.db2.gz TWLWPYMIAUFYTN-QGZVFWFLSA-N 0 1 398.503 3.036 20 0 GGADMN Cc1ccc2c(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)coc2c1 ZINC000154221835 1422857482 /nfs/dbraw/zinc/85/74/82/1422857482.db2.gz PQBCSNXYMYOYIX-KNQAVFIVSA-N 0 1 392.499 3.283 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@H](O)c1ccccc1Cl)c1ccco1 ZINC000154220901 1422857602 /nfs/dbraw/zinc/85/76/02/1422857602.db2.gz ZYAJGZIQJVSRHX-SJORKVTESA-N 0 1 379.888 3.349 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Cl)c1ccco1 ZINC000154220968 1422857634 /nfs/dbraw/zinc/85/76/34/1422857634.db2.gz ZYAJGZIQJVSRHX-DLBZAZTESA-N 0 1 379.888 3.349 20 0 GGADMN CN1CC[C@H](CNC(=O)C(=O)Nc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000154228971 1422858937 /nfs/dbraw/zinc/85/89/37/1422858937.db2.gz CDEGZQGIZPDYRD-WBMJQRKESA-N 0 1 395.887 3.288 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000154233645 1422859586 /nfs/dbraw/zinc/85/95/86/1422859586.db2.gz KAXNVFMDDRKAAP-VQIMIIECSA-N 0 1 376.859 3.092 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Cc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000154234840 1422859811 /nfs/dbraw/zinc/85/98/11/1422859811.db2.gz SZQLXWGPADYIKY-IBGZPJMESA-N 0 1 396.487 3.310 20 0 GGADMN Cc1ccc2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)ccc2n1 ZINC000154234599 1422859919 /nfs/dbraw/zinc/85/99/19/1422859919.db2.gz UYASKNRPGZQVKD-FYYLOGMGSA-N 0 1 389.499 3.156 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154238183 1422860110 /nfs/dbraw/zinc/86/01/10/1422860110.db2.gz HMWLPCHDSNKXDI-AEFFLSMTSA-N 0 1 387.446 3.130 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000154237955 1422860140 /nfs/dbraw/zinc/86/01/40/1422860140.db2.gz XGIKFSBJEJBCQD-OXQOHEQNSA-N 0 1 396.487 3.217 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000154237727 1422860212 /nfs/dbraw/zinc/86/02/12/1422860212.db2.gz XGIKFSBJEJBCQD-UZLBHIALSA-N 0 1 396.487 3.217 20 0 GGADMN C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000154237605 1422860243 /nfs/dbraw/zinc/86/02/43/1422860243.db2.gz XGIKFSBJEJBCQD-JXFKEZNVSA-N 0 1 396.487 3.217 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cncc(OC(C)C)c2)N2CCCC2)cc1 ZINC000154245833 1422861526 /nfs/dbraw/zinc/86/15/26/1422861526.db2.gz XKMYATIYJNFSSP-OAQYLSRUSA-N 0 1 383.492 3.444 20 0 GGADMN CC(C)(C)SCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154251956 1422862070 /nfs/dbraw/zinc/86/20/70/1422862070.db2.gz HIVXXLCCLJMVFY-RTBURBONSA-N 0 1 378.582 3.298 20 0 GGADMN CC(C)(C)SCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154251956 1422862071 /nfs/dbraw/zinc/86/20/71/1422862071.db2.gz HIVXXLCCLJMVFY-RTBURBONSA-N 0 1 378.582 3.298 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc2c(c1)OCO2 ZINC000154263476 1422863584 /nfs/dbraw/zinc/86/35/84/1422863584.db2.gz VWQFHIACXBUSED-BEFAXECRSA-N 0 1 382.460 3.175 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN[C@@H](C)c3ccccc3)nc2c1 ZINC000154266285 1422864333 /nfs/dbraw/zinc/86/43/33/1422864333.db2.gz RUXQAPQAHKJNEK-HNNXBMFYSA-N 0 1 386.521 3.444 20 0 GGADMN Cc1cccc2c(CC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c[nH]c21 ZINC000154273652 1422865253 /nfs/dbraw/zinc/86/52/53/1422865253.db2.gz CASWEYDJMTZLGN-DENIHFKCSA-N 0 1 391.515 3.018 20 0 GGADMN CC(C)CO[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000154276737 1422866037 /nfs/dbraw/zinc/86/60/37/1422866037.db2.gz AFPVGSINSMOSMK-HXUWFJFHSA-N 0 1 377.504 3.247 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccccc1 ZINC000154284104 1422867094 /nfs/dbraw/zinc/86/70/94/1422867094.db2.gz CALYOJBDJNPQCD-FXAWDEMLSA-N 0 1 387.499 3.111 20 0 GGADMN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000154288488 1422867698 /nfs/dbraw/zinc/86/76/98/1422867698.db2.gz SDQYKUWPHGWOHL-IRXDYDNUSA-N 0 1 380.529 3.125 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000179824644 1429596604 /nfs/dbraw/zinc/59/66/04/1429596604.db2.gz GFSTXXDMTKGVCZ-UHFFFAOYSA-N 0 1 399.332 3.438 20 0 GGADMN Cc1ccc2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)[nH]c2c1 ZINC000154311297 1422870854 /nfs/dbraw/zinc/87/08/54/1422870854.db2.gz LSXWHNRRMFXTFQ-DENIHFKCSA-N 0 1 377.488 3.089 20 0 GGADMN Cc1ccc2cc(C(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)[nH]c2c1 ZINC000154311410 1422870941 /nfs/dbraw/zinc/87/09/41/1422870941.db2.gz LSXWHNRRMFXTFQ-KNQAVFIVSA-N 0 1 377.488 3.089 20 0 GGADMN C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154313121 1422871209 /nfs/dbraw/zinc/87/12/09/1422871209.db2.gz KMBHAXOANMPWGN-NQSCKRDGSA-N 0 1 384.495 3.004 20 0 GGADMN CCN(CC)[C@H](CNS(=O)(=O)c1sccc1OC)c1cccc(OC)c1 ZINC000154323405 1422872533 /nfs/dbraw/zinc/87/25/33/1422872533.db2.gz HHSSSOCMLAXUJK-MRXNPFEDSA-N 0 1 398.550 3.127 20 0 GGADMN Cc1ccsc1CCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154323456 1422872692 /nfs/dbraw/zinc/87/26/92/1422872692.db2.gz ARUOTRHBIYACEV-WOJBJXKFSA-N 0 1 386.561 3.378 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@H]1CCCOc2ccccc21 ZINC000154341519 1422875640 /nfs/dbraw/zinc/87/56/40/1422875640.db2.gz UVMOFMIVXLEILM-INIZCTEOSA-N 0 1 395.484 3.105 20 0 GGADMN CN1CCO[C@H]([C@H](NCc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000154346087 1422876016 /nfs/dbraw/zinc/87/60/16/1422876016.db2.gz NHFVIAQSYBNDCS-LEWJYISDSA-N 0 1 388.895 3.273 20 0 GGADMN O=C([N-]CCC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)C(F)(F)F ZINC000154346740 1422876460 /nfs/dbraw/zinc/87/64/60/1422876460.db2.gz JPTGJWWCOSUUAD-UHFFFAOYSA-N 0 1 383.389 3.334 20 0 GGADMN O=C([N-]CCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)C(F)(F)F ZINC000154346740 1422876461 /nfs/dbraw/zinc/87/64/61/1422876461.db2.gz JPTGJWWCOSUUAD-UHFFFAOYSA-N 0 1 383.389 3.334 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)C[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000154361324 1422878114 /nfs/dbraw/zinc/87/81/14/1422878114.db2.gz RVXWIXUMLZNQGU-OAQYLSRUSA-N 0 1 385.483 3.025 20 0 GGADMN 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376.859 3.293 20 0 GGADMN COc1ccc([C@@H]2CCN(CCCOc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000155199946 1423239558 /nfs/dbraw/zinc/23/95/58/1423239558.db2.gz NFPDBFPWLLUNBC-GOSISDBHSA-N 0 1 389.517 3.357 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000826285576 1423241040 /nfs/dbraw/zinc/24/10/40/1423241040.db2.gz CZFXIVLFGZGFBY-YOEHRIQHSA-N 0 1 394.479 3.201 20 0 GGADMN CCOCc1ccc(CNC(=O)CN2CC[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000155200650 1423241140 /nfs/dbraw/zinc/24/11/40/1423241140.db2.gz UHMPSYIVLVRYPZ-NRFANRHFSA-N 0 1 382.504 3.337 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000155205690 1423244104 /nfs/dbraw/zinc/24/41/04/1423244104.db2.gz YEZDTOUBTHASFF-INIZCTEOSA-N 0 1 392.503 3.386 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)CN(C)CCCC(=O)NC)ccc21 ZINC000155209415 1423246556 /nfs/dbraw/zinc/24/65/56/1423246556.db2.gz VVHSLHGEAVBARE-UHFFFAOYSA-N 0 1 380.492 3.211 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nnc3n2c2ccccc2c(=O)n3C)C1 ZINC000155210189 1423248065 /nfs/dbraw/zinc/24/80/65/1423248065.db2.gz WFLUWEMVGTXYBM-DLBZAZTESA-N 0 1 387.487 3.268 20 0 GGADMN CC(C)c1csc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)n1 ZINC000179889829 1429626179 /nfs/dbraw/zinc/62/61/79/1429626179.db2.gz QHQQIHRXKZRECE-UHFFFAOYSA-N 0 1 393.419 3.335 20 0 GGADMN COC(=O)c1cc(C)ccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179889914 1429626406 /nfs/dbraw/zinc/62/64/06/1429626406.db2.gz YXQDBQYYJALXIJ-AWEZNQCLSA-N 0 1 383.452 3.189 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ncn(-c2ccccc2)n1 ZINC000155229186 1423260200 /nfs/dbraw/zinc/26/02/00/1423260200.db2.gz NPCAQECDXPFWDO-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCC2(CCCC2)C1 ZINC000155233211 1423263411 /nfs/dbraw/zinc/26/34/11/1423263411.db2.gz WWWIJCXKFYLAIG-UHFFFAOYSA-N 0 1 375.538 3.072 20 0 GGADMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000737749662 1429627319 /nfs/dbraw/zinc/62/73/19/1429627319.db2.gz YXCBOWHTJDSQKM-MRXNPFEDSA-N 0 1 390.491 3.011 20 0 GGADMN NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000737749662 1429627323 /nfs/dbraw/zinc/62/73/23/1429627323.db2.gz YXCBOWHTJDSQKM-MRXNPFEDSA-N 0 1 390.491 3.011 20 0 GGADMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000737749662 1429627327 /nfs/dbraw/zinc/62/73/27/1429627327.db2.gz YXCBOWHTJDSQKM-MRXNPFEDSA-N 0 1 390.491 3.011 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1C[C@H](c3ccccc3C)C[C@@H]1C)[nH]c2=O ZINC000155236391 1423265131 /nfs/dbraw/zinc/26/51/31/1423265131.db2.gz QSWQODJDWHIYNN-DOTOQJQBSA-N 0 1 391.471 3.396 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN2CCN(C3CCC(C)CC3)CC2)c1 ZINC000155242564 1423268055 /nfs/dbraw/zinc/26/80/55/1423268055.db2.gz DGKWTKCVJKBMBL-UHFFFAOYSA-N 0 1 378.582 3.355 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179893342 1429628275 /nfs/dbraw/zinc/62/82/75/1429628275.db2.gz LUVWDAKLAHKANW-UONOGXRCSA-N 0 1 394.422 3.149 20 0 GGADMN COc1ccc(C=O)c(OCC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000155256645 1423280195 /nfs/dbraw/zinc/28/01/95/1423280195.db2.gz BHPLGASGALCZDO-GOSISDBHSA-N 0 1 396.487 3.010 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000155266900 1423287749 /nfs/dbraw/zinc/28/77/49/1423287749.db2.gz IEPWECNRMSDXSF-INIZCTEOSA-N 0 1 375.476 3.427 20 0 GGADMN COc1ccc([C@H]2CCN([C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000155269365 1423289010 /nfs/dbraw/zinc/28/90/10/1423289010.db2.gz DAGHZONAMVMJPM-APWZRJJASA-N 0 1 398.503 3.207 20 0 GGADMN CC(=O)N(c1nc(/C=C/C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cs1)c1ccccc1 ZINC000155270235 1423289039 /nfs/dbraw/zinc/28/90/39/1423289039.db2.gz AQQXVDJWHILJIY-ISEXYEMMSA-N 0 1 398.532 3.392 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000179896904 1429629388 /nfs/dbraw/zinc/62/93/88/1429629388.db2.gz URSGBUUXNUWNDX-LBPRGKRZSA-N 0 1 392.406 3.047 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000179896884 1429629429 /nfs/dbraw/zinc/62/94/29/1429629429.db2.gz URSGBUUXNUWNDX-GFCCVEGCSA-N 0 1 392.406 3.047 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cccnc1C(F)(F)F ZINC000155281985 1423297999 /nfs/dbraw/zinc/29/79/99/1423297999.db2.gz GNLQQTJKQHOHIJ-UHFFFAOYSA-N 0 1 385.430 3.113 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)C2)cc1 ZINC000155295301 1423305217 /nfs/dbraw/zinc/30/52/17/1423305217.db2.gz MENWCOXGHKSXBB-QGZVFWFLSA-N 0 1 382.460 3.285 20 0 GGADMN CC1(C)[C@H](NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000155307215 1423310829 /nfs/dbraw/zinc/31/08/29/1423310829.db2.gz PEOBGKRELIIBMS-OTWHNJEPSA-N 0 1 391.943 3.417 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155332702 1423320546 /nfs/dbraw/zinc/32/05/46/1423320546.db2.gz SSLNVCJHRDHMAC-INIZCTEOSA-N 0 1 391.531 3.410 20 0 GGADMN Cc1noc(-c2ccc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc2)n1 ZINC000155331542 1423321052 /nfs/dbraw/zinc/32/10/52/1423321052.db2.gz NAMFZFBNBJBZPD-HNNXBMFYSA-N 0 1 391.475 3.395 20 0 GGADMN CCc1nc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)co1 ZINC000155338677 1423323802 /nfs/dbraw/zinc/32/38/02/1423323802.db2.gz JIJPYCCJSUWPOZ-UHFFFAOYSA-N 0 1 391.475 3.207 20 0 GGADMN Cc1ccn(C)c(=O)c1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000155344837 1423326663 /nfs/dbraw/zinc/32/66/63/1423326663.db2.gz UUQJLLOXYDMTNJ-UHFFFAOYSA-N 0 1 388.899 3.133 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000155375142 1423339506 /nfs/dbraw/zinc/33/95/06/1423339506.db2.gz VAQQOJBPDRJRNM-GOSISDBHSA-N 0 1 389.503 3.282 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nnc[nH]1 ZINC000155377147 1423340465 /nfs/dbraw/zinc/34/04/65/1423340465.db2.gz ZRAOQUZUKFJPQN-XCBNKYQSSA-N 0 1 381.280 3.487 20 0 GGADMN CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000155385002 1423342900 /nfs/dbraw/zinc/34/29/00/1423342900.db2.gz MFWBKJRKYHDOJL-LJQANCHMSA-N 0 1 389.565 3.273 20 0 GGADMN COCC[N@@H+](C)CCNC(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000155405349 1423350774 /nfs/dbraw/zinc/35/07/74/1423350774.db2.gz RNMKNWCNIJTMPX-INIZCTEOSA-N 0 1 390.553 3.399 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C[C@H](O)c3ccccc3)n[nH]2)cc1 ZINC000155419554 1423356412 /nfs/dbraw/zinc/35/64/12/1423356412.db2.gz UCDLQWSMLFJCDE-KNQAVFIVSA-N 0 1 391.471 3.350 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3ccccc3)n[nH]2)cc1 ZINC000155419766 1423356466 /nfs/dbraw/zinc/35/64/66/1423356466.db2.gz UCDLQWSMLFJCDE-DENIHFKCSA-N 0 1 391.471 3.350 20 0 GGADMN O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1cccc(-c2nnc[nH]2)c1 ZINC000155435260 1423362090 /nfs/dbraw/zinc/36/20/90/1423362090.db2.gz FNOMVGAOSYACGB-SFHVURJKSA-N 0 1 392.850 3.341 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)NCc1ccc(COc2ccccc2)cc1 ZINC000155440114 1423364609 /nfs/dbraw/zinc/36/46/09/1423364609.db2.gz CIHGKIPLWXTDKG-GGAORHGYSA-N 0 1 394.515 3.383 20 0 GGADMN Cc1nn(C)c2sc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc12 ZINC000155453438 1423371044 /nfs/dbraw/zinc/37/10/44/1423371044.db2.gz WESPYBCJBZQHLF-CQSZACIVSA-N 0 1 383.521 3.294 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820562154 1423371947 /nfs/dbraw/zinc/37/19/47/1423371947.db2.gz DPJMJKRBNGFUQD-OHZJNBGDSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820562154 1423371954 /nfs/dbraw/zinc/37/19/54/1423371954.db2.gz DPJMJKRBNGFUQD-OHZJNBGDSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820562154 1423371961 /nfs/dbraw/zinc/37/19/61/1423371961.db2.gz DPJMJKRBNGFUQD-OHZJNBGDSA-N 0 1 399.520 3.066 20 0 GGADMN O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000155458481 1423372268 /nfs/dbraw/zinc/37/22/68/1423372268.db2.gz OQARAOVWQRIZQG-YJBOKZPZSA-N 0 1 397.866 3.379 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccccc2-n2cccn2)CC1 ZINC000155459963 1423373714 /nfs/dbraw/zinc/37/37/14/1423373714.db2.gz OKJWJTNMZOYPJP-QGZVFWFLSA-N 0 1 375.476 3.223 20 0 GGADMN O=C(C(=Cc1ccc(F)cc1)c1cccs1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155464811 1423375481 /nfs/dbraw/zinc/37/54/81/1423375481.db2.gz OVYWROMFOCGTBI-DSQDWWTGSA-N 0 1 383.452 3.347 20 0 GGADMN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000155468022 1423377061 /nfs/dbraw/zinc/37/70/61/1423377061.db2.gz UQYPJGBNMFYUFE-SFHVURJKSA-N 0 1 398.850 3.244 20 0 GGADMN COC(=O)Nc1ccccc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155474924 1423379551 /nfs/dbraw/zinc/37/95/51/1423379551.db2.gz BPOIJHWNMLDRBN-HNNXBMFYSA-N 0 1 382.464 3.215 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000155473453 1423379753 /nfs/dbraw/zinc/37/97/53/1423379753.db2.gz WNVQXQMXRKKUAH-UZLBHIALSA-N 0 1 395.494 3.416 20 0 GGADMN O=C(c1cccnc1SCC1CCCCC1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000155483431 1423381894 /nfs/dbraw/zinc/38/18/94/1423381894.db2.gz OESQMYFJNYBBTD-OAHLLOKOSA-N 0 1 386.525 3.287 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820643547 1423382526 /nfs/dbraw/zinc/38/25/26/1423382526.db2.gz XAPCDNGQZNHHJN-DOTOQJQBSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820643547 1423382531 /nfs/dbraw/zinc/38/25/31/1423382531.db2.gz XAPCDNGQZNHHJN-DOTOQJQBSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820643547 1423382537 /nfs/dbraw/zinc/38/25/37/1423382537.db2.gz XAPCDNGQZNHHJN-DOTOQJQBSA-N 0 1 376.464 3.073 20 0 GGADMN CC[C@H](NCc1cccc(NC(C)=O)c1)c1ccccc1OCC(=O)N(C)C ZINC000155485142 1423382966 /nfs/dbraw/zinc/38/29/66/1423382966.db2.gz MNFQWFDOUHPYJR-FQEVSTJZSA-N 0 1 383.492 3.353 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)C[C@@H](C)O1 ZINC000155487611 1423383194 /nfs/dbraw/zinc/38/31/94/1423383194.db2.gz QJEKBGDADVSHNN-ZIAGYGMSSA-N 0 1 378.432 3.065 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(CCOC)CCC2)CC1 ZINC000155488074 1423383799 /nfs/dbraw/zinc/38/37/99/1423383799.db2.gz UZLNTTIGZQBHCV-KRWDZBQOSA-N 0 1 391.531 3.352 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000155489144 1423383999 /nfs/dbraw/zinc/38/39/99/1423383999.db2.gz MKLGZVKDLDAVMS-AWEZNQCLSA-N 0 1 384.455 3.135 20 0 GGADMN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H](c4nn[nH]n4)C3)c2c1 ZINC000155493852 1423385247 /nfs/dbraw/zinc/38/52/47/1423385247.db2.gz UOBIUAUOWQBKBA-HNNXBMFYSA-N 0 1 376.464 3.262 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155493278 1423385550 /nfs/dbraw/zinc/38/55/50/1423385550.db2.gz UPYDVVRMBAZMRC-OAHLLOKOSA-N 0 1 391.475 3.395 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@@H]2C1)NCc1ccccc1COc1ccccc1 ZINC000155502047 1423389333 /nfs/dbraw/zinc/38/93/33/1423389333.db2.gz PNPOZBSZKSHHFN-NFBKMPQASA-N 0 1 394.515 3.383 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)NCc1ccccc1COc1ccccc1 ZINC000155502167 1423389679 /nfs/dbraw/zinc/38/96/79/1423389679.db2.gz PNPOZBSZKSHHFN-OFNKIYASSA-N 0 1 394.515 3.383 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c[nH]c12 ZINC000155505948 1423391373 /nfs/dbraw/zinc/39/13/73/1423391373.db2.gz MZTRMLILQNBMQQ-HNNXBMFYSA-N 0 1 395.503 3.360 20 0 GGADMN CCC[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000155519444 1423397291 /nfs/dbraw/zinc/39/72/91/1423397291.db2.gz FZERNPXQANTCCX-IBGZPJMESA-N 0 1 381.467 3.312 20 0 GGADMN Cc1ccc(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cn1 ZINC000155521889 1423398477 /nfs/dbraw/zinc/39/84/77/1423398477.db2.gz IPCUMPVZYGCQBZ-UHFFFAOYSA-N 0 1 380.492 3.386 20 0 GGADMN COc1ccc(CNC(=O)CN(C)[C@H]2CCSC2)cc1OC1CCCC1 ZINC000155540700 1423409241 /nfs/dbraw/zinc/40/92/41/1423409241.db2.gz SFEZJMJLPFPJDD-INIZCTEOSA-N 0 1 378.538 3.070 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCCc1cccc(Br)c1 ZINC000822740520 1423409243 /nfs/dbraw/zinc/40/92/43/1423409243.db2.gz LLCXBFKBTXPARY-UHFFFAOYSA-N 0 1 390.260 3.491 20 0 GGADMN CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736664902 1423411197 /nfs/dbraw/zinc/41/11/97/1423411197.db2.gz LXZKMPNQDWXVIR-TZMCWYRMSA-N 0 1 392.529 3.011 20 0 GGADMN CCn1nc(C)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1Cl ZINC000155545816 1423411551 /nfs/dbraw/zinc/41/15/51/1423411551.db2.gz HQKQGVDEWRSKLZ-AWEZNQCLSA-N 0 1 375.904 3.215 20 0 GGADMN Cc1nc([C@@H](C)N2CCN(C(=O)CN(C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000155546003 1423411862 /nfs/dbraw/zinc/41/18/62/1423411862.db2.gz XECXLXMJBACFKY-OAHLLOKOSA-N 0 1 390.915 3.070 20 0 GGADMN CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825417747 1423413004 /nfs/dbraw/zinc/41/30/04/1423413004.db2.gz UKOXTNTXCLCYIM-UHFFFAOYSA-N 0 1 394.479 3.148 20 0 GGADMN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000155557133 1423417256 /nfs/dbraw/zinc/41/72/56/1423417256.db2.gz YNGDUEQOZRIJRS-UHFFFAOYSA-N 0 1 389.902 3.499 20 0 GGADMN NC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccccc4Cl)n[nH]3)ccc21 ZINC000155584346 1423432538 /nfs/dbraw/zinc/43/25/38/1423432538.db2.gz QWIKIMACGURTKX-UHFFFAOYSA-N 0 1 381.823 3.424 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000155589613 1423433278 /nfs/dbraw/zinc/43/32/78/1423433278.db2.gz ORBOBAFDRQYPFG-CQSZACIVSA-N 0 1 396.466 3.061 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000155603831 1423440597 /nfs/dbraw/zinc/44/05/97/1423440597.db2.gz WRSXHLGFNAUORF-UHFFFAOYSA-N 0 1 376.319 3.045 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@@H](C4(C)OCCO4)C3)c2c1 ZINC000826263881 1423441275 /nfs/dbraw/zinc/44/12/75/1423441275.db2.gz UKPUQGWKVXBHKN-OAHLLOKOSA-N 0 1 394.479 3.011 20 0 GGADMN CCCNC(=O)CCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155604403 1423441464 /nfs/dbraw/zinc/44/14/64/1423441464.db2.gz KZCYGYFAWOLXQA-MGPUTAFESA-N 0 1 397.922 3.285 20 0 GGADMN COC(=O)CCCN(Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000155615084 1423446977 /nfs/dbraw/zinc/44/69/77/1423446977.db2.gz FUYVLTYEIFAVGL-UHFFFAOYSA-N 0 1 399.878 3.303 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(Cn2ccnn2)CC1)c1ccc2ccccc2c1 ZINC000155617822 1423448862 /nfs/dbraw/zinc/44/88/62/1423448862.db2.gz LCLFKBHSMJEXJV-QZTJIDSGSA-N 0 1 391.519 3.409 20 0 GGADMN CC(=O)NC[C@H]1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000155619331 1423449560 /nfs/dbraw/zinc/44/95/60/1423449560.db2.gz WUPJWMJDPCOYRT-APWZRJJASA-N 0 1 380.916 3.246 20 0 GGADMN CN(CC(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1)[C@H]1CCSC1 ZINC000155619693 1423451322 /nfs/dbraw/zinc/45/13/22/1423451322.db2.gz AGKBYAIQJGRBEW-SFHVURJKSA-N 0 1 384.501 3.386 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CC23CCOCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155620085 1423451378 /nfs/dbraw/zinc/45/13/78/1423451378.db2.gz ITLJYLBZYRCINX-VKJFTORMSA-N 0 1 380.891 3.405 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155630523 1423457243 /nfs/dbraw/zinc/45/72/43/1423457243.db2.gz RNJJBFOHUSLPRK-QAPCUYQASA-N 0 1 392.544 3.440 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000155634630 1423459318 /nfs/dbraw/zinc/45/93/18/1423459318.db2.gz CNKUVOIPOVGIFO-QFIPXVFZSA-N 0 1 387.545 3.432 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824936651 1423466320 /nfs/dbraw/zinc/46/63/20/1423466320.db2.gz KUEAOBWSJFHQSO-DYESRHJHSA-N 0 1 398.555 3.016 20 0 GGADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000155648702 1423467450 /nfs/dbraw/zinc/46/74/50/1423467450.db2.gz DOECQOYSPVQBKR-FWYSVENZSA-N 0 1 377.573 3.183 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000155662245 1423474153 /nfs/dbraw/zinc/47/41/53/1423474153.db2.gz SRLUVZKMQCHWFE-INIZCTEOSA-N 0 1 393.466 3.362 20 0 GGADMN COc1ccc([C@H]2CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000155663022 1423475157 /nfs/dbraw/zinc/47/51/57/1423475157.db2.gz BNFXEDUVQMEYHK-IBGZPJMESA-N 0 1 394.519 3.254 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000155676656 1423481704 /nfs/dbraw/zinc/48/17/04/1423481704.db2.gz XIFNKUBYHWYREP-KRWDZBQOSA-N 0 1 394.519 3.129 20 0 GGADMN CC(C)(C)OC(=O)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000179928347 1429645942 /nfs/dbraw/zinc/64/59/42/1429645942.db2.gz BBAINYSKHBEMHD-UHFFFAOYSA-N 0 1 395.503 3.431 20 0 GGADMN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000179928525 1429646016 /nfs/dbraw/zinc/64/60/16/1429646016.db2.gz ONEDUJYCLSCJFE-ZWKOTPCHSA-N 0 1 381.879 3.046 20 0 GGADMN CCOc1cccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)c1OC(F)F ZINC000155684148 1423486221 /nfs/dbraw/zinc/48/62/21/1423486221.db2.gz SFQHZXRWOIMFGD-UHFFFAOYSA-N 0 1 388.374 3.402 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c[nH]c12 ZINC000155701420 1423493897 /nfs/dbraw/zinc/49/38/97/1423493897.db2.gz QHLKTROYAYRJBA-UHFFFAOYSA-N 0 1 395.503 3.360 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4ccccc4C=O)C3)[nH]c2c1 ZINC000155717848 1423502500 /nfs/dbraw/zinc/50/25/00/1423502500.db2.gz IQWVEEWSGVUGJZ-INIZCTEOSA-N 0 1 377.444 3.469 20 0 GGADMN C[C@H](CNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)N1CCc2ccccc2C1 ZINC000155721926 1423504532 /nfs/dbraw/zinc/50/45/32/1423504532.db2.gz JHEYMYUAZFBXTI-MRXNPFEDSA-N 0 1 389.540 3.100 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CCCN4C(=O)NC(C)C)C3)[nH]c2c1 ZINC000155731321 1423507597 /nfs/dbraw/zinc/50/75/97/1423507597.db2.gz MJQWAZIPXYXYSK-APWZRJJASA-N 0 1 397.523 3.160 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(Cn2ccnn2)CC1 ZINC000155731921 1423508937 /nfs/dbraw/zinc/50/89/37/1423508937.db2.gz ZLUFOVDZRWQVGG-ZWKOTPCHSA-N 0 1 395.551 3.135 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(Cn2ccnn2)CC1)c1ccc2c(c1)CCCC2 ZINC000155732141 1423509060 /nfs/dbraw/zinc/50/90/60/1423509060.db2.gz ZLUFOVDZRWQVGG-ROUUACIJSA-N 0 1 395.551 3.135 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000155737139 1423511112 /nfs/dbraw/zinc/51/11/12/1423511112.db2.gz VRDHFAHUKYIXQH-QGZVFWFLSA-N 0 1 388.537 3.034 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000155737139 1423511116 /nfs/dbraw/zinc/51/11/16/1423511116.db2.gz VRDHFAHUKYIXQH-QGZVFWFLSA-N 0 1 388.537 3.034 20 0 GGADMN O=C(CN1CCC[C@H](c2nnc3ccccn32)C1)N(Cc1ccccc1)C1CC1 ZINC000155744701 1423513873 /nfs/dbraw/zinc/51/38/73/1423513873.db2.gz PGJCLRYJRIBDLV-IBGZPJMESA-N 0 1 389.503 3.100 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4cccc(C=O)c4)C3)[nH]c2c1 ZINC000155750257 1423516309 /nfs/dbraw/zinc/51/63/09/1423516309.db2.gz ZOLFFBLBVLDKMY-KRWDZBQOSA-N 0 1 377.444 3.469 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000155760716 1423521643 /nfs/dbraw/zinc/52/16/43/1423521643.db2.gz ORSGLZRAYQKUHS-QGZVFWFLSA-N 0 1 387.446 3.247 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000155760603 1423522047 /nfs/dbraw/zinc/52/20/47/1423522047.db2.gz ORSGLZRAYQKUHS-KRWDZBQOSA-N 0 1 387.446 3.247 20 0 GGADMN CC(C)(C)OC(=O)c1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000179935282 1429650207 /nfs/dbraw/zinc/65/02/07/1429650207.db2.gz APNZQQODWSUJQD-UHFFFAOYSA-N 0 1 395.503 3.431 20 0 GGADMN CC(=O)NC1(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)CCCCC1 ZINC000155769217 1423525450 /nfs/dbraw/zinc/52/54/50/1423525450.db2.gz ILFDBOGCTQRCLA-KRWDZBQOSA-N 0 1 382.508 3.416 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4ccc(C=O)cc4)C3)[nH]c2c1 ZINC000155770145 1423527085 /nfs/dbraw/zinc/52/70/85/1423527085.db2.gz SQCAJLDTQVDEGS-QGZVFWFLSA-N 0 1 377.444 3.469 20 0 GGADMN C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824599717 1429651024 /nfs/dbraw/zinc/65/10/24/1429651024.db2.gz RGPTYBUNFFCEID-SNVBAGLBSA-N 0 1 378.267 3.331 20 0 GGADMN CN(C)S(=O)(=O)c1ccccc1CNCc1cc(Cl)cc2cccnc21 ZINC000155796482 1423537860 /nfs/dbraw/zinc/53/78/60/1423537860.db2.gz OCKSHWNVXYJLQQ-UHFFFAOYSA-N 0 1 389.908 3.428 20 0 GGADMN COc1cc(F)c(NC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1F ZINC000155797076 1423538129 /nfs/dbraw/zinc/53/81/29/1423538129.db2.gz IIPDIHLFPALWFB-UHFFFAOYSA-N 0 1 397.466 3.378 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1c(C)noc1C ZINC000155803629 1423541301 /nfs/dbraw/zinc/54/13/01/1423541301.db2.gz DTQFADIZRPFOHP-PBHICJAKSA-N 0 1 389.496 3.396 20 0 GGADMN C[C@H]1C[NH+](Cc2ccccc2NCc2cccc(-c3nnn[n-]3)c2F)C[C@H](C)O1 ZINC000824994544 1423542496 /nfs/dbraw/zinc/54/24/96/1423542496.db2.gz VFQXIJSFIDSKKV-GJZGRUSLSA-N 0 1 396.470 3.227 20 0 GGADMN C[C@@H](CNC(=O)[C@@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000155810792 1423544297 /nfs/dbraw/zinc/54/42/97/1423544297.db2.gz BAIIQPJHQQQIPO-NSHGMRRFSA-N 0 1 391.519 3.217 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155812500 1423544886 /nfs/dbraw/zinc/54/48/86/1423544886.db2.gz LFHNSULPWYATGN-JZXOWHBKSA-N 0 1 395.482 3.314 20 0 GGADMN COC[C@H](NCCCS(=O)(=O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC000155819968 1423546644 /nfs/dbraw/zinc/54/66/44/1423546644.db2.gz UPGRMQBXVYJSGA-IBGZPJMESA-N 0 1 383.460 3.414 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155826641 1423550088 /nfs/dbraw/zinc/55/00/88/1423550088.db2.gz MQMVMSXICBUXGN-HKUYNNGSSA-N 0 1 389.503 3.277 20 0 GGADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000155831598 1423552313 /nfs/dbraw/zinc/55/23/13/1423552313.db2.gz MTZIXFPTIBKUEC-UHFFFAOYSA-N 0 1 392.507 3.292 20 0 GGADMN CC(C)c1ncc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000824364957 1423552315 /nfs/dbraw/zinc/55/23/15/1423552315.db2.gz WZZBDVZWSZJPKA-UHFFFAOYSA-N 0 1 384.509 3.490 20 0 GGADMN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155834201 1423554578 /nfs/dbraw/zinc/55/45/78/1423554578.db2.gz BMBGUAASAZLLJX-ZBFHGGJFSA-N 0 1 375.436 3.115 20 0 GGADMN C[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736133540 1423559941 /nfs/dbraw/zinc/55/99/41/1423559941.db2.gz HPXXSTVLPNTXMP-OAHLLOKOSA-N 0 1 386.463 3.086 20 0 GGADMN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000155849937 1423560851 /nfs/dbraw/zinc/56/08/51/1423560851.db2.gz UDXVQAXAFUQZDK-AEFFLSMTSA-N 0 1 375.513 3.008 20 0 GGADMN O=C(NCc1cccc2c1OCCCO2)c1ccc(CN2CCSCC2)cc1 ZINC000155851093 1423562221 /nfs/dbraw/zinc/56/22/21/1423562221.db2.gz SBPXYLBHWZARJE-UHFFFAOYSA-N 0 1 398.528 3.327 20 0 GGADMN O=C(CSc1c[nH]nn1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000155861933 1423566215 /nfs/dbraw/zinc/56/62/15/1423566215.db2.gz GQBVXSFLWPBVFA-UHFFFAOYSA-N 0 1 387.852 3.441 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155868602 1423568926 /nfs/dbraw/zinc/56/89/26/1423568926.db2.gz WQOSYVAWCQBDGD-INIZCTEOSA-N 0 1 387.484 3.285 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000155882000 1423575397 /nfs/dbraw/zinc/57/53/97/1423575397.db2.gz XYKOXZNWODIJQL-LAUBAEHRSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000155882000 1423575410 /nfs/dbraw/zinc/57/54/10/1423575410.db2.gz XYKOXZNWODIJQL-LAUBAEHRSA-N 0 1 399.560 3.098 20 0 GGADMN Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc(Cl)n1 ZINC000155891580 1423579898 /nfs/dbraw/zinc/57/98/98/1423579898.db2.gz KAJKXARKXZUHBF-CQSZACIVSA-N 0 1 390.890 3.425 20 0 GGADMN 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394.454 3.212 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234418 1423630891 /nfs/dbraw/zinc/63/08/91/1423630891.db2.gz JDBSUBJCJRPQET-WMLDXEAASA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736234418 1423630894 /nfs/dbraw/zinc/63/08/94/1423630894.db2.gz JDBSUBJCJRPQET-WMLDXEAASA-N 0 1 394.454 3.212 20 0 GGADMN C[S@@](=O)c1ccc(CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000156012945 1423633523 /nfs/dbraw/zinc/63/35/23/1423633523.db2.gz CZOYKZVRGYGEGY-VWLOTQADSA-N 0 1 393.574 3.285 20 0 GGADMN C[S@](=O)c1ccc(CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000156012832 1423633549 /nfs/dbraw/zinc/63/35/49/1423633549.db2.gz CZOYKZVRGYGEGY-RUZDIDTESA-N 0 1 393.574 3.285 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1cccc2ccccc21 ZINC000156016180 1423635806 /nfs/dbraw/zinc/63/58/06/1423635806.db2.gz PKPOWWKZTXXPPM-QGZVFWFLSA-N 0 1 377.492 3.021 20 0 GGADMN 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CCS(=O)(=O)c1ccc(CN[C@@H]2CCCOc3ccc(OC)cc32)cc1 ZINC000179954657 1429661427 /nfs/dbraw/zinc/66/14/27/1429661427.db2.gz MOAMLDZCVGZOTG-LJQANCHMSA-N 0 1 375.490 3.492 20 0 GGADMN C[C@H](CC(=O)N1CCN(CC2CC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000156096767 1423671869 /nfs/dbraw/zinc/67/18/69/1423671869.db2.gz IFHFOMGLPAAYMT-QGZVFWFLSA-N 0 1 393.572 3.214 20 0 GGADMN CNC(=O)c1cc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)ccc1Cl ZINC000156108106 1423676047 /nfs/dbraw/zinc/67/60/47/1423676047.db2.gz SHEUMTGDJRJFHB-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000179958498 1429661873 /nfs/dbraw/zinc/66/18/73/1429661873.db2.gz ZHAHKOJTUBIYLX-FZKQIMNGSA-N 0 1 378.469 3.298 20 0 GGADMN O=C(COC[C@@H]1CCCO1)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156115832 1423679051 /nfs/dbraw/zinc/67/90/51/1423679051.db2.gz MPHJQJYMLXWBQQ-SFHVURJKSA-N 0 1 378.432 3.273 20 0 GGADMN O=C(COC[C@@H]1CCCO1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000156115832 1423679054 /nfs/dbraw/zinc/67/90/54/1423679054.db2.gz MPHJQJYMLXWBQQ-SFHVURJKSA-N 0 1 378.432 3.273 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1-c1nnn[n-]1 ZINC000826193237 1423679497 /nfs/dbraw/zinc/67/94/97/1423679497.db2.gz VYFGZRPTLAJIBB-UHFFFAOYSA-N 0 1 378.480 3.108 20 0 GGADMN COc1ccc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc1-c1nn[n-]n1 ZINC000826193237 1423679507 /nfs/dbraw/zinc/67/95/07/1423679507.db2.gz VYFGZRPTLAJIBB-UHFFFAOYSA-N 0 1 378.480 3.108 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1-c1nn[n-]n1 ZINC000826193237 1423679514 /nfs/dbraw/zinc/67/95/14/1423679514.db2.gz VYFGZRPTLAJIBB-UHFFFAOYSA-N 0 1 378.480 3.108 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000156117660 1423680117 /nfs/dbraw/zinc/68/01/17/1423680117.db2.gz UJOFJIXIFGRDTA-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN O=C(CCn1ccccc1=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156119262 1423680411 /nfs/dbraw/zinc/68/04/11/1423680411.db2.gz ASTOWJYHEBNVMB-UHFFFAOYSA-N 0 1 385.427 3.329 20 0 GGADMN O=C(CCn1ccccc1=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000156119262 1423680417 /nfs/dbraw/zinc/68/04/17/1423680417.db2.gz ASTOWJYHEBNVMB-UHFFFAOYSA-N 0 1 385.427 3.329 20 0 GGADMN C[S@](=O)c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000156121583 1423681450 /nfs/dbraw/zinc/68/14/50/1423681450.db2.gz MKXDGINZCXQXHG-CBZJRKILSA-N 0 1 396.434 3.338 20 0 GGADMN CCC[C@@H](NC(=O)N1CC[C@H](N2CCN(CC)CC2)C1)c1ccc(F)cc1F ZINC000156126784 1423684311 /nfs/dbraw/zinc/68/43/11/1423684311.db2.gz YEPUJLQCQFJHKH-FXAWDEMLSA-N 0 1 394.510 3.227 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000156133655 1423686819 /nfs/dbraw/zinc/68/68/19/1423686819.db2.gz UPJYQTKKJJANMI-NRFANRHFSA-N 0 1 379.504 3.078 20 0 GGADMN CN(CC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000156135259 1423687674 /nfs/dbraw/zinc/68/76/74/1423687674.db2.gz YIADRIRGAHEUHE-MJGOQNOKSA-N 0 1 382.957 3.049 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000179958529 1429662853 /nfs/dbraw/zinc/66/28/53/1429662853.db2.gz ZHAHKOJTUBIYLX-ACJLOTCBSA-N 0 1 378.469 3.298 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCC[C@H](C(=O)NCC4CC4)C3)co2)cc1 ZINC000156159145 1423699604 /nfs/dbraw/zinc/69/96/04/1423699604.db2.gz NQPMYJFVHJQHNZ-SFHVURJKSA-N 0 1 383.492 3.479 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000736198320 1423699514 /nfs/dbraw/zinc/69/95/14/1423699514.db2.gz SGLUHJVTSZDAQM-QLFBSQMISA-N 0 1 386.500 3.257 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000736198320 1423699517 /nfs/dbraw/zinc/69/95/17/1423699517.db2.gz SGLUHJVTSZDAQM-QLFBSQMISA-N 0 1 386.500 3.257 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000736198320 1423699523 /nfs/dbraw/zinc/69/95/23/1423699523.db2.gz SGLUHJVTSZDAQM-QLFBSQMISA-N 0 1 386.500 3.257 20 0 GGADMN COc1ccc(Oc2cc(CNC(=O)N3CCN(C)C[C@@H]3C(C)C)ccn2)cc1 ZINC000156160849 1423700770 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3.489 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)n[nH]2)cc1 ZINC000156210150 1423727502 /nfs/dbraw/zinc/72/75/02/1423727502.db2.gz KFBOPUHSWMMBLH-DLBZAZTESA-N 0 1 397.866 3.489 20 0 GGADMN COc1ccc(OCCN(C)C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)cc1 ZINC000156217305 1423732015 /nfs/dbraw/zinc/73/20/15/1423732015.db2.gz ZQQFRWBWUAFBDK-UHFFFAOYSA-N 0 1 381.432 3.245 20 0 GGADMN COc1ccc(OCCN(C)C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000156225001 1423734319 /nfs/dbraw/zinc/73/43/19/1423734319.db2.gz VSUUKXAIJGKLAP-UHFFFAOYSA-N 0 1 381.432 3.245 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000156226937 1423735859 /nfs/dbraw/zinc/73/58/59/1423735859.db2.gz MDUAOKZZUIDSQD-LLVKDONJSA-N 0 1 387.402 3.032 20 0 GGADMN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000179968992 1429667802 /nfs/dbraw/zinc/66/78/02/1429667802.db2.gz JLMYFBQDJUKFHE-UHFFFAOYSA-N 0 1 386.415 3.022 20 0 GGADMN CC(=O)OCCCc1cccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000156253994 1423744261 /nfs/dbraw/zinc/74/42/61/1423744261.db2.gz DDOFGNKIYWJGOR-UHFFFAOYSA-N 0 1 395.463 3.175 20 0 GGADMN COc1cccc([C@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)N(C)C)c1 ZINC000826214532 1423750605 /nfs/dbraw/zinc/75/06/05/1423750605.db2.gz OJRYYBIUJLMPED-RTWAWAEBSA-N 0 1 392.507 3.145 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1Cl ZINC000179971631 1429668464 /nfs/dbraw/zinc/66/84/64/1429668464.db2.gz ZETSRKCNORVVMI-UHFFFAOYSA-N 0 1 392.864 3.493 20 0 GGADMN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000156296793 1423763581 /nfs/dbraw/zinc/76/35/81/1423763581.db2.gz CHZBUZNJECOQGL-UHFFFAOYSA-N 0 1 398.366 3.275 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000156309216 1423770841 /nfs/dbraw/zinc/77/08/41/1423770841.db2.gz SDYXNEHNMUJAHC-UHFFFAOYSA-N 0 1 391.836 3.318 20 0 GGADMN Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822356456 1423772321 /nfs/dbraw/zinc/77/23/21/1423772321.db2.gz TVTVPIAARKIBTL-FQEVSTJZSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822356456 1423772324 /nfs/dbraw/zinc/77/23/24/1423772324.db2.gz TVTVPIAARKIBTL-FQEVSTJZSA-N 0 1 390.491 3.211 20 0 GGADMN Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822356456 1423772328 /nfs/dbraw/zinc/77/23/28/1423772328.db2.gz TVTVPIAARKIBTL-FQEVSTJZSA-N 0 1 390.491 3.211 20 0 GGADMN CC[C@@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1 ZINC000156322866 1423778494 /nfs/dbraw/zinc/77/84/94/1423778494.db2.gz TVQACEQAXKSIDQ-FQEVSTJZSA-N 0 1 380.536 3.342 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cnn(C)c1 ZINC000179973454 1429670748 /nfs/dbraw/zinc/67/07/48/1429670748.db2.gz HCSFWNZBKOURNK-CXAGYDPISA-N 0 1 380.414 3.281 20 0 GGADMN CCc1sc(NC(=O)CNC[C@H]2CCCO2)nc1-c1ccc(OC)cc1 ZINC000156326282 1423780512 /nfs/dbraw/zinc/78/05/12/1423780512.db2.gz WQGJMFGOVGDEOA-OAHLLOKOSA-N 0 1 375.494 3.088 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000156327928 1423781197 /nfs/dbraw/zinc/78/11/97/1423781197.db2.gz JGPFPHLCGJNSLI-SIKLNZKXSA-N 0 1 399.579 3.448 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cnn(CC(C)C)c3)[nH]c2c1 ZINC000156331155 1423782962 /nfs/dbraw/zinc/78/29/62/1423782962.db2.gz MEZCDMMFSPYFED-GOSISDBHSA-N 0 1 394.479 3.026 20 0 GGADMN C[S@](=O)c1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000156332397 1423783965 /nfs/dbraw/zinc/78/39/65/1423783965.db2.gz QFWBJKFOMLRACL-SSOJOUAXSA-N 0 1 376.909 3.363 20 0 GGADMN C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735992782 1423785312 /nfs/dbraw/zinc/78/53/12/1423785312.db2.gz MVQPMNRJKWOIGZ-KRWDZBQOSA-N 0 1 376.508 3.446 20 0 GGADMN COc1cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)c(SC)cc1OC ZINC000826179539 1423786456 /nfs/dbraw/zinc/78/64/56/1423786456.db2.gz SJWMPISCWBJKGE-UHFFFAOYSA-N 0 1 391.522 3.299 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)c(SC)cc1OC ZINC000826179539 1423786459 /nfs/dbraw/zinc/78/64/59/1423786459.db2.gz SJWMPISCWBJKGE-UHFFFAOYSA-N 0 1 391.522 3.299 20 0 GGADMN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000156337647 1423787361 /nfs/dbraw/zinc/78/73/61/1423787361.db2.gz UGWXEDSGZHKHDH-AWEZNQCLSA-N 0 1 377.231 3.242 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000736901004 1423789006 /nfs/dbraw/zinc/78/90/06/1423789006.db2.gz HHKWRBYVXOUSEH-PXNSSMCTSA-N 0 1 391.475 3.351 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000736901004 1423789011 /nfs/dbraw/zinc/78/90/11/1423789011.db2.gz HHKWRBYVXOUSEH-PXNSSMCTSA-N 0 1 391.475 3.351 20 0 GGADMN O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000156355258 1423795063 /nfs/dbraw/zinc/79/50/63/1423795063.db2.gz TUZORNXTMQXOKQ-CYBMUJFWSA-N 0 1 379.363 3.245 20 0 GGADMN Cn1cc(CCCN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cn1 ZINC000156361169 1423797439 /nfs/dbraw/zinc/79/74/39/1423797439.db2.gz SMPNVZOGTYHCHT-UHFFFAOYSA-N 0 1 399.539 3.433 20 0 GGADMN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)c1ccc(C)o1 ZINC000156381511 1423802301 /nfs/dbraw/zinc/80/23/01/1423802301.db2.gz NTIQMTUAXBWOMU-GUYCJALGSA-N 0 1 376.453 3.300 20 0 GGADMN CC(C)[C@H](O)C(C)(C)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000156382375 1423802403 /nfs/dbraw/zinc/80/24/03/1423802403.db2.gz XDGLVAVQMKGYNH-IBGZPJMESA-N 0 1 379.520 3.132 20 0 GGADMN CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000156383985 1423802716 /nfs/dbraw/zinc/80/27/16/1423802716.db2.gz LDQRNYQANIJEKG-UHFFFAOYSA-N 0 1 396.896 3.348 20 0 GGADMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824687284 1423802828 /nfs/dbraw/zinc/80/28/28/1423802828.db2.gz FGOBLFZFMWPLFM-OXJNMPFZSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687284 1423802846 /nfs/dbraw/zinc/80/28/46/1423802846.db2.gz FGOBLFZFMWPLFM-OXJNMPFZSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687284 1423802857 /nfs/dbraw/zinc/80/28/57/1423802857.db2.gz FGOBLFZFMWPLFM-OXJNMPFZSA-N 0 1 393.491 3.039 20 0 GGADMN CC(C)(C)OC(=O)[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC000156392663 1423804423 /nfs/dbraw/zinc/80/44/23/1423804423.db2.gz UNGQUNDNEVJYEG-QGZVFWFLSA-N 0 1 378.432 3.285 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1Cl ZINC000179968051 1429667161 /nfs/dbraw/zinc/66/71/61/1429667161.db2.gz URIYXKYKWPXRQK-UHFFFAOYSA-N 0 1 392.864 3.098 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1cccs1 ZINC000735549596 1429678984 /nfs/dbraw/zinc/67/89/84/1429678984.db2.gz BDIKOWGDKRWCEP-SNVBAGLBSA-N 0 1 376.873 3.041 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000156403052 1423806150 /nfs/dbraw/zinc/80/61/50/1423806150.db2.gz RFWTVVIUJLOMCZ-GFCCVEGCSA-N 0 1 391.821 3.098 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3ccccc3F)C3CCCC3)CCO2)n[nH]1 ZINC000156417946 1423808093 /nfs/dbraw/zinc/80/80/93/1423808093.db2.gz PLKDILSJEQOFGV-ZWKOTPCHSA-N 0 1 387.459 3.267 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccccc3F)C3CCCC3)CCO2)n[nH]1 ZINC000156418311 1423808100 /nfs/dbraw/zinc/80/81/00/1423808100.db2.gz PLKDILSJEQOFGV-MSOLQXFVSA-N 0 1 387.459 3.267 20 0 GGADMN O=S(=O)(CCNCc1cc(Cl)cc2cccnc21)NCc1ccccc1 ZINC000156438556 1423810683 /nfs/dbraw/zinc/81/06/83/1423810683.db2.gz RASYMLZAQBKUQE-UHFFFAOYSA-N 0 1 389.908 3.097 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000156455728 1423812378 /nfs/dbraw/zinc/81/23/78/1423812378.db2.gz NPGQKWXDUFXHMU-HSZRJFAPSA-N 0 1 393.531 3.445 20 0 GGADMN COc1cc(NCCNC(=O)CCc2nc3cccc(C)c3[nH]2)cc(OC)c1 ZINC000156461394 1423813092 /nfs/dbraw/zinc/81/30/92/1423813092.db2.gz LULJIEKFOCITIP-UHFFFAOYSA-N 0 1 382.464 3.049 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000156466367 1423813614 /nfs/dbraw/zinc/81/36/14/1423813614.db2.gz GVUCPBHEWXPTED-INIZCTEOSA-N 0 1 399.560 3.245 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000156468347 1423814023 /nfs/dbraw/zinc/81/40/23/1423814023.db2.gz QZPQDTFBYQMQJY-RXVVDRJESA-N 0 1 393.531 3.405 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)CCc3ccc4[nH]ccc4c3)c2)CC1 ZINC000179983270 1429674495 /nfs/dbraw/zinc/67/44/95/1429674495.db2.gz XSFUYLQHVWVOFW-UHFFFAOYSA-N 0 1 376.504 3.487 20 0 GGADMN CC[N@@H+](Cc1ccccc1N1CCOCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439641 1423820488 /nfs/dbraw/zinc/82/04/88/1423820488.db2.gz IUZFJRHAHVRFNS-QGZVFWFLSA-N 0 1 392.507 3.286 20 0 GGADMN CC[N@H+](Cc1ccccc1N1CCOCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439641 1423820494 /nfs/dbraw/zinc/82/04/94/1423820494.db2.gz IUZFJRHAHVRFNS-QGZVFWFLSA-N 0 1 392.507 3.286 20 0 GGADMN CC[N@@H+](Cc1ccccc1N1CCOCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439641 1423820500 /nfs/dbraw/zinc/82/05/00/1423820500.db2.gz IUZFJRHAHVRFNS-QGZVFWFLSA-N 0 1 392.507 3.286 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000156522601 1423822945 /nfs/dbraw/zinc/82/29/45/1423822945.db2.gz FBJOSKYCZPMISN-FQEVSTJZSA-N 0 1 393.531 3.035 20 0 GGADMN Cn1cc(Nc2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)cn1 ZINC000156570368 1423829804 /nfs/dbraw/zinc/82/98/04/1423829804.db2.gz QEWROBGRSLEMCE-IBGZPJMESA-N 0 1 379.464 3.324 20 0 GGADMN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000156572178 1423830333 /nfs/dbraw/zinc/83/03/33/1423830333.db2.gz LMHPYPUJJNAARE-OAHLLOKOSA-N 0 1 384.455 3.439 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000156570592 1423830406 /nfs/dbraw/zinc/83/04/06/1423830406.db2.gz JOGOZRCAEZEKHZ-NRFANRHFSA-N 0 1 386.467 3.345 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000156580666 1423831916 /nfs/dbraw/zinc/83/19/16/1423831916.db2.gz LGNPDTHWYIUCGF-CVDCTZTESA-N 0 1 387.568 3.424 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH]1 ZINC000156581622 1423832022 /nfs/dbraw/zinc/83/20/22/1423832022.db2.gz QCNGQEPRMWSGIH-CYBMUJFWSA-N 0 1 391.566 3.337 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc([N+](=O)[O-])c1F ZINC000156607502 1423835126 /nfs/dbraw/zinc/83/51/26/1423835126.db2.gz HHFJVHTYQQTVED-UHFFFAOYSA-N 0 1 383.357 3.368 20 0 GGADMN COc1cccc(-c2nc(CN(C)C[C@H]3CCN(C(C)=O)C3)cs2)c1OC ZINC000156610455 1423835561 /nfs/dbraw/zinc/83/55/61/1423835561.db2.gz NCWIPBWLZFHEEZ-OAHLLOKOSA-N 0 1 389.521 3.128 20 0 GGADMN Cc1[nH]c(SCCc2ccc(S(N)(=O)=O)cc2)nc1Cc1ccccc1 ZINC000156612214 1423835983 /nfs/dbraw/zinc/83/59/83/1423835983.db2.gz FPNVCIGMLWMQSL-UHFFFAOYSA-N 0 1 387.530 3.291 20 0 GGADMN O=C(Cc1cn2ccsc2n1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000156615253 1423836262 /nfs/dbraw/zinc/83/62/62/1423836262.db2.gz XRAJQNFGHMZVKK-OAHLLOKOSA-N 0 1 378.461 3.087 20 0 GGADMN O=C(Cc1cn2ccsc2n1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000156615253 1423836265 /nfs/dbraw/zinc/83/62/65/1423836265.db2.gz XRAJQNFGHMZVKK-OAHLLOKOSA-N 0 1 378.461 3.087 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000156620047 1423836825 /nfs/dbraw/zinc/83/68/25/1423836825.db2.gz AVFZZGGNSBSKOI-FQEVSTJZSA-N 0 1 395.503 3.004 20 0 GGADMN COc1cccc(OC)c1Oc1ccc(CNCc2cnc3cnccn23)cn1 ZINC000156634286 1423838621 /nfs/dbraw/zinc/83/86/21/1423838621.db2.gz PWWXICOJTHYUEB-UHFFFAOYSA-N 0 1 391.431 3.224 20 0 GGADMN Cn1ncc2c1CCC[C@H]2NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000156644238 1423839666 /nfs/dbraw/zinc/83/96/66/1423839666.db2.gz LFGUUIJXAGLSEX-GOSISDBHSA-N 0 1 375.538 3.159 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)c1ccc(F)cc1 ZINC000156644214 1423839698 /nfs/dbraw/zinc/83/96/98/1423839698.db2.gz FTRHOBKHLQDISQ-SFHVURJKSA-N 0 1 399.495 3.269 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000156650191 1423841135 /nfs/dbraw/zinc/84/11/35/1423841135.db2.gz OJSMIMKOYYRFCN-OAHLLOKOSA-N 0 1 399.539 3.309 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000823674083 1423843735 /nfs/dbraw/zinc/84/37/35/1423843735.db2.gz PYKYXBJEXIYXOD-LJQANCHMSA-N 0 1 393.422 3.335 20 0 GGADMN CCCOc1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cn1 ZINC000156679948 1423846611 /nfs/dbraw/zinc/84/66/11/1423846611.db2.gz MOWPZSYEAXYFAI-CQSZACIVSA-N 0 1 378.494 3.133 20 0 GGADMN O=C1C[C@@H](NCc2cnc3cnccn23)CN1c1ccc(Oc2ccccc2)cc1 ZINC000156699277 1423850726 /nfs/dbraw/zinc/85/07/26/1423850726.db2.gz PRUCSSFUJLEIPJ-QGZVFWFLSA-N 0 1 399.454 3.417 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@](C)(O)c1ccccc1Cl ZINC000156716264 1423852810 /nfs/dbraw/zinc/85/28/10/1423852810.db2.gz NNXGUENDCBPBAQ-INIZCTEOSA-N 0 1 391.821 3.320 20 0 GGADMN O[C@H](CNCc1cc(Br)cc2c1OCC2)c1c(F)cccc1F ZINC000156714705 1423852833 /nfs/dbraw/zinc/85/28/33/1423852833.db2.gz MUYMVOWFHYQKMS-OAHLLOKOSA-N 0 1 384.220 3.485 20 0 GGADMN C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577496 1423853856 /nfs/dbraw/zinc/85/38/56/1423853856.db2.gz LBHLIKTVKKVKDM-CQSZACIVSA-N 0 1 390.532 3.018 20 0 GGADMN Cc1nc([C@H](NS(=O)(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)no1 ZINC000179988910 1429677511 /nfs/dbraw/zinc/67/75/11/1429677511.db2.gz JOXNJFGXCFMVLM-OAHLLOKOSA-N 0 1 399.806 3.378 20 0 GGADMN COc1cc(CNC[C@@](C)(O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000156732742 1423856036 /nfs/dbraw/zinc/85/60/36/1423856036.db2.gz CVJXHEKPBQVUIN-GOSISDBHSA-N 0 1 380.828 3.263 20 0 GGADMN Cc1c([C@@H](C)NC(=O)N2CCN(C)C[C@@H]2C(C)C)cnn1-c1ccc(F)cc1 ZINC000156739023 1423857220 /nfs/dbraw/zinc/85/72/20/1423857220.db2.gz XEOWPZJQKRYEJW-FOIQADDNSA-N 0 1 387.503 3.362 20 0 GGADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2F)N2CCCC2)cc1 ZINC000156757834 1423860048 /nfs/dbraw/zinc/86/00/48/1423860048.db2.gz KSPQMQGCOUFEST-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1cccs1 ZINC000735549596 1429678972 /nfs/dbraw/zinc/67/89/72/1429678972.db2.gz BDIKOWGDKRWCEP-SNVBAGLBSA-N 0 1 376.873 3.041 20 0 GGADMN Cc1cccc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)c1C ZINC000156776998 1423862768 /nfs/dbraw/zinc/86/27/68/1423862768.db2.gz KSOLYJRLKPKSSF-UHFFFAOYSA-N 0 1 383.517 3.429 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735602372 1423867138 /nfs/dbraw/zinc/86/71/38/1423867138.db2.gz NSDMNQZKIBVTHO-UHFFFAOYSA-N 0 1 384.509 3.415 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735602372 1423867149 /nfs/dbraw/zinc/86/71/49/1423867149.db2.gz NSDMNQZKIBVTHO-UHFFFAOYSA-N 0 1 384.509 3.415 20 0 GGADMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000156804824 1423867775 /nfs/dbraw/zinc/86/77/75/1423867775.db2.gz OHIHLEOJMAMYOV-UHFFFAOYSA-N 0 1 381.867 3.396 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000156812065 1423868650 /nfs/dbraw/zinc/86/86/50/1423868650.db2.gz CWZNIWJCUAIMIP-SFHVURJKSA-N 0 1 381.476 3.218 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)c2ccccc2CSc2nc[nH]n2)CC1 ZINC000156818111 1423869957 /nfs/dbraw/zinc/86/99/57/1423869957.db2.gz FQWUMQAKGSTEJB-UHFFFAOYSA-N 0 1 387.553 3.291 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000156843740 1423873458 /nfs/dbraw/zinc/87/34/58/1423873458.db2.gz PVLNDXBQOHRPHI-YADHBBJMSA-N 0 1 394.515 3.444 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000156843740 1423873462 /nfs/dbraw/zinc/87/34/62/1423873462.db2.gz PVLNDXBQOHRPHI-YADHBBJMSA-N 0 1 394.515 3.444 20 0 GGADMN Cc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)c(O[C@H]2CCOC2)c1 ZINC000156844156 1423874080 /nfs/dbraw/zinc/87/40/80/1423874080.db2.gz PVLNDXBQOHRPHI-FCHUYYIVSA-N 0 1 394.515 3.444 20 0 GGADMN CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000156844951 1423874145 /nfs/dbraw/zinc/87/41/45/1423874145.db2.gz WUEZOVPASMTELH-KRWDZBQOSA-N 0 1 390.915 3.211 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)N2CCCC2)cc1 ZINC000156845234 1423874275 /nfs/dbraw/zinc/87/42/75/1423874275.db2.gz AKLOQXDCLGZGLS-HXUWFJFHSA-N 0 1 391.475 3.047 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000156868180 1423877612 /nfs/dbraw/zinc/87/76/12/1423877612.db2.gz DDUZSQXDXZAHHI-NRFANRHFSA-N 0 1 383.540 3.095 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccnc(OC(C)C)c3)n2)cc1 ZINC000156916356 1423885403 /nfs/dbraw/zinc/88/54/03/1423885403.db2.gz BHGSZPQZLRPGFI-UHFFFAOYSA-N 0 1 397.504 3.371 20 0 GGADMN CC[C@H](CNC(=O)C(=O)Nc1c(C)cccc1F)N1CCc2ccccc2C1 ZINC000156927539 1423887633 /nfs/dbraw/zinc/88/76/33/1423887633.db2.gz DTJKLYFNKLLPIJ-GOSISDBHSA-N 0 1 383.467 3.026 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156937869 1423889658 /nfs/dbraw/zinc/88/96/58/1423889658.db2.gz VVVMOGGIHNMHDO-KXBFYZLASA-N 0 1 387.528 3.013 20 0 GGADMN CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc(Br)ccc1[O-] ZINC000156942803 1423890864 /nfs/dbraw/zinc/89/08/64/1423890864.db2.gz FMKVMZMOZSYKLV-CQSZACIVSA-N 0 1 376.316 3.020 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000156951962 1423892538 /nfs/dbraw/zinc/89/25/38/1423892538.db2.gz PXVSNRHCNGRCRZ-KRWDZBQOSA-N 0 1 399.564 3.251 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)nc1Cc1ccccc1 ZINC000156972895 1423895720 /nfs/dbraw/zinc/89/57/20/1423895720.db2.gz AGABODQDRLDHBK-PKOBYXMFSA-N 0 1 385.533 3.475 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156977353 1423896094 /nfs/dbraw/zinc/89/60/94/1423896094.db2.gz PTIJDVBCFDNBLT-MGPUTAFESA-N 0 1 380.492 3.016 20 0 GGADMN NS(=O)(=O)c1ccc(CCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000156990028 1423897906 /nfs/dbraw/zinc/89/79/06/1423897906.db2.gz BUNLMJRAOUTQMA-UHFFFAOYSA-N 0 1 394.909 3.107 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000156991830 1423898219 /nfs/dbraw/zinc/89/82/19/1423898219.db2.gz JTRAVLMCIOOJIO-WBVHZDCISA-N 0 1 398.507 3.242 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000156991967 1423898371 /nfs/dbraw/zinc/89/83/71/1423898371.db2.gz JTRAVLMCIOOJIO-RDJZCZTQSA-N 0 1 398.507 3.242 20 0 GGADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CCC1)NC(=O)NCC(F)(F)F ZINC000179996917 1429681007 /nfs/dbraw/zinc/68/10/07/1429681007.db2.gz WJHMDTSVOMXDIU-UHFFFAOYSA-N 0 1 397.319 3.062 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157022014 1423904771 /nfs/dbraw/zinc/90/47/71/1423904771.db2.gz JOCXTEDGIJHOLH-IKGGRYGDSA-N 0 1 380.916 3.115 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccccc3CN3CCOCC3)[nH]n2)c1 ZINC000157028189 1423906339 /nfs/dbraw/zinc/90/63/39/1423906339.db2.gz HHADQGIFNJEVQB-UHFFFAOYSA-N 0 1 392.459 3.170 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000157029009 1423906395 /nfs/dbraw/zinc/90/63/95/1423906395.db2.gz WDPYQYOZHJCCFE-QZTJIDSGSA-N 0 1 386.492 3.179 20 0 GGADMN O=S(=O)(NCc1ccc(COC2CCOCC2)cc1)c1c(F)cccc1F ZINC000157030129 1423907090 /nfs/dbraw/zinc/90/70/90/1423907090.db2.gz BRKXZFSFZUHCDK-UHFFFAOYSA-N 0 1 397.443 3.139 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000157052085 1423911831 /nfs/dbraw/zinc/91/18/31/1423911831.db2.gz ZHQUUWKTJYZUHP-INIZCTEOSA-N 0 1 380.414 3.303 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000157052010 1423912110 /nfs/dbraw/zinc/91/21/10/1423912110.db2.gz PSPJSEIANKXLOX-INIZCTEOSA-N 0 1 397.523 3.093 20 0 GGADMN CC(C)([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824167279 1423917981 /nfs/dbraw/zinc/91/79/81/1423917981.db2.gz QCVHFINMZGRKDM-UHFFFAOYSA-N 0 1 384.871 3.374 20 0 GGADMN CCc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000157078409 1423919982 /nfs/dbraw/zinc/91/99/82/1423919982.db2.gz ANNAIXLJMMNNHX-MRXNPFEDSA-N 0 1 390.915 3.211 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824507706 1423921520 /nfs/dbraw/zinc/92/15/20/1423921520.db2.gz XTRCGHOLDKSAKX-GRDNDAEWSA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824507706 1423921525 /nfs/dbraw/zinc/92/15/25/1423921525.db2.gz XTRCGHOLDKSAKX-GRDNDAEWSA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824507706 1423921529 /nfs/dbraw/zinc/92/15/29/1423921529.db2.gz XTRCGHOLDKSAKX-GRDNDAEWSA-N 0 1 386.500 3.163 20 0 GGADMN CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824323927 1423922166 /nfs/dbraw/zinc/92/21/66/1423922166.db2.gz DKWWWZNSHQPHAC-LEWJYISDSA-N 0 1 393.491 3.355 20 0 GGADMN COc1ccc(-c2nc(SCc3nccn3C(F)F)[nH]c(=O)c2C#N)cc1 ZINC000157095494 1423924523 /nfs/dbraw/zinc/92/45/23/1423924523.db2.gz PRPBAHYIWXUQOG-UHFFFAOYSA-N 0 1 389.387 3.201 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000157102013 1423925695 /nfs/dbraw/zinc/92/56/95/1423925695.db2.gz XKWWIGROYKIZFS-UHFFFAOYSA-N 0 1 381.867 3.083 20 0 GGADMN O=C(c1ccc(F)cc1)N1CCCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000180001444 1429683293 /nfs/dbraw/zinc/68/32/93/1429683293.db2.gz CZOKKHZPACONKR-UHFFFAOYSA-N 0 1 397.494 3.010 20 0 GGADMN C[C@@H](C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1CCCCCC1 ZINC000157123908 1423931251 /nfs/dbraw/zinc/93/12/51/1423931251.db2.gz UMIVHAPNLFVISS-ZDUSSCGKSA-N 0 1 381.402 3.489 20 0 GGADMN NC(=O)c1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000180000830 1429683614 /nfs/dbraw/zinc/68/36/14/1429683614.db2.gz FDRBJJILAFLBGM-UHFFFAOYSA-N 0 1 391.393 3.412 20 0 GGADMN Cc1ccc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)cc1C ZINC000157138821 1423935347 /nfs/dbraw/zinc/93/53/47/1423935347.db2.gz LPIIYUUIFNUVBO-UHFFFAOYSA-N 0 1 383.517 3.429 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000180002589 1429684260 /nfs/dbraw/zinc/68/42/60/1429684260.db2.gz SJGTZJWOHQYNKX-IFXJQAMLSA-N 0 1 379.460 3.036 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000157168848 1423943295 /nfs/dbraw/zinc/94/32/95/1423943295.db2.gz CLXQFKPIJKNGNZ-UHFFFAOYSA-N 0 1 399.857 3.222 20 0 GGADMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN1CC[C@@H](C(N)=O)C1 ZINC000157189939 1423949936 /nfs/dbraw/zinc/94/99/36/1423949936.db2.gz KPCMBSMADUFKIG-LLVKDONJSA-N 0 1 386.805 3.160 20 0 GGADMN CN(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCCc2c1cnn2C ZINC000157188687 1423950176 /nfs/dbraw/zinc/95/01/76/1423950176.db2.gz UMRNCVANHZPAKZ-HKUYNNGSSA-N 0 1 385.512 3.259 20 0 GGADMN CC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2O)ccc1Br ZINC000180003010 1429685432 /nfs/dbraw/zinc/68/54/32/1429685432.db2.gz OBXOPSLOENDUJN-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@@H]3CCOC4(CCCC4)C3)c2c1 ZINC000822195514 1423951749 /nfs/dbraw/zinc/95/17/49/1423951749.db2.gz UKRKGDFVDAMIGI-OAHLLOKOSA-N 0 1 378.480 3.357 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)n2)cc1 ZINC000157198310 1423953324 /nfs/dbraw/zinc/95/33/24/1423953324.db2.gz MDKIGRXILJTJCV-DOTOQJQBSA-N 0 1 396.520 3.178 20 0 GGADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)n2)cc1 ZINC000157201430 1423954261 /nfs/dbraw/zinc/95/42/61/1423954261.db2.gz VHKZCHUMKADYFQ-IEBWSBKVSA-N 0 1 382.508 3.258 20 0 GGADMN COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826191247 1423954475 /nfs/dbraw/zinc/95/44/75/1423954475.db2.gz ARHSJDISMHICNK-LSDHHAIUSA-N 0 1 381.480 3.413 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1ncccc1F)N1CCCCC1 ZINC000157224099 1423959692 /nfs/dbraw/zinc/95/96/92/1423959692.db2.gz CRCQMAICLVHBGM-IBGZPJMESA-N 0 1 386.471 3.256 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccccc1OC(F)(F)F ZINC000180007604 1429686760 /nfs/dbraw/zinc/68/67/60/1429686760.db2.gz KFQWTFUNGNNNCY-UHFFFAOYSA-N 0 1 379.382 3.375 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N(C)CC3CCCCC3)ccc2NC1=O ZINC000180007958 1429687176 /nfs/dbraw/zinc/68/71/76/1429687176.db2.gz CWTKZMRDMXIOID-DNVCBOLYSA-N 0 1 387.524 3.485 20 0 GGADMN CC(C)CSCCCN1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000157291618 1423976983 /nfs/dbraw/zinc/97/69/83/1423976983.db2.gz WVUFMQFNLZCJQU-UHFFFAOYSA-N 0 1 389.609 3.363 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3CSCCS3)cc2)C[C@H](C)O1 ZINC000157297246 1423977790 /nfs/dbraw/zinc/97/77/90/1423977790.db2.gz GBALHHCDKFHEKZ-JTDSTZFVSA-N 0 1 394.606 3.151 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1424045395 /nfs/dbraw/zinc/04/53/95/1424045395.db2.gz NUXADQSKEJFPCL-MRXNPFEDSA-N 0 1 376.439 3.323 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCCN(c4ccccc4)CC3)n[nH]2)c1 ZINC000157611243 1424049306 /nfs/dbraw/zinc/04/93/06/1424049306.db2.gz OAIPVALHUHSIGU-UHFFFAOYSA-N 0 1 376.460 3.438 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000157616937 1424049668 /nfs/dbraw/zinc/04/96/68/1424049668.db2.gz XJVMUPNGBNFKPJ-MRXNPFEDSA-N 0 1 379.435 3.200 20 0 GGADMN Cc1ccccc1C(=O)NC1CCN([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000157618128 1424050413 /nfs/dbraw/zinc/05/04/13/1424050413.db2.gz WRMONHHPOAEFFN-GOSISDBHSA-N 0 1 385.552 3.369 20 0 GGADMN CCN(Cc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(C)=O ZINC000157629472 1424053024 /nfs/dbraw/zinc/05/30/24/1424053024.db2.gz ZLTQPZKOLFBSEU-UHFFFAOYSA-N 0 1 386.395 3.273 20 0 GGADMN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157663891 1424060145 /nfs/dbraw/zinc/06/01/45/1424060145.db2.gz XABGXPVYSDGJIW-UHFFFAOYSA-N 0 1 386.395 3.291 20 0 GGADMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157686355 1424064900 /nfs/dbraw/zinc/06/49/00/1424064900.db2.gz GXOMQHWRTCCNSG-JTQLQIEISA-N 0 1 386.395 3.433 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@H](C)c2cc(C)cc(C)c2)n1 ZINC000157691214 1424065455 /nfs/dbraw/zinc/06/54/55/1424065455.db2.gz OWFGNEITKGECBT-CQSZACIVSA-N 0 1 375.494 3.155 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN[C@@H](c2ccccc2Cl)C(C)C)n1 ZINC000157697495 1424067199 /nfs/dbraw/zinc/06/71/99/1424067199.db2.gz LSSKOJPFIYFXOV-QGZVFWFLSA-N 0 1 395.912 3.437 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000826248025 1424067770 /nfs/dbraw/zinc/06/77/70/1424067770.db2.gz UCJGDEZRZCZMKY-QZTJIDSGSA-N 0 1 396.882 3.004 20 0 GGADMN Cn1cc(/C=C/C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cn1 ZINC000157701346 1424067822 /nfs/dbraw/zinc/06/78/22/1424067822.db2.gz SCWINZPSVNEXBP-ZHACJKMWSA-N 0 1 384.483 3.348 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 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GGADMN Cc1ccc([C@@H](CN[C@H](c2cnn(C)c2)c2cccc(F)c2)N2CCOCC2)o1 ZINC000180025800 1429700629 /nfs/dbraw/zinc/70/06/29/1429700629.db2.gz FMFNOGJYHODLRZ-IRLDBZIGSA-N 0 1 398.482 3.213 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N[C@@H](C)c3cccs3)ccc2NC1=O ZINC000180025668 1429700822 /nfs/dbraw/zinc/70/08/22/1429700822.db2.gz BRAWUQLGNIEIGD-DVOMOZLQSA-N 0 1 387.505 3.386 20 0 GGADMN CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000157991206 1424135315 /nfs/dbraw/zinc/13/53/15/1424135315.db2.gz FVHWMSJBCFJREA-AEFFLSMTSA-N 0 1 389.565 3.259 20 0 GGADMN COc1ccccc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158016020 1424140097 /nfs/dbraw/zinc/14/00/97/1424140097.db2.gz BZBHZFXEUMWNRX-GOSISDBHSA-N 0 1 388.895 3.378 20 0 GGADMN COc1ccccc1[C@H]1CCN([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000158025704 1424142875 /nfs/dbraw/zinc/14/28/75/1424142875.db2.gz MUQQROJKTOKAMQ-WBVHZDCISA-N 0 1 381.476 3.470 20 0 GGADMN Cc1ccc(C(=O)NC2CCN([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)s1 ZINC000158046650 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380.496 3.075 20 0 GGADMN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCCC[C@H]2CCC(C)C)c1C ZINC000158123049 1424172516 /nfs/dbraw/zinc/17/25/16/1424172516.db2.gz MDHKNXBTJYOOFE-KRWDZBQOSA-N 0 1 395.569 3.180 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(C)C3CCC(C)CC3)ccc2NC1=O ZINC000180029836 1429703524 /nfs/dbraw/zinc/70/35/24/1429703524.db2.gz URVCYIOEBYHFJK-RYBRAKCQSA-N 0 1 387.524 3.484 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000158132786 1424175285 /nfs/dbraw/zinc/17/52/85/1424175285.db2.gz UFVOTGSZAJLADF-KRWDZBQOSA-N 0 1 397.479 3.254 20 0 GGADMN CC(C)CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000158149332 1424179527 /nfs/dbraw/zinc/17/95/27/1424179527.db2.gz WCBKKZDXORWBNQ-INIZCTEOSA-N 0 1 377.554 3.493 20 0 GGADMN CC(C)CC[C@H]1CCCCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000158149490 1424180246 /nfs/dbraw/zinc/18/02/46/1424180246.db2.gz WCBKKZDXORWBNQ-MRXNPFEDSA-N 0 1 377.554 3.493 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCc3cccc(C(=O)N(C)C)c3)ccc2NC1=O ZINC000180031955 1429704156 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3.144 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCc3cnn(C)c3C(F)(F)F)ccc2NC1=O ZINC000180033432 1429704935 /nfs/dbraw/zinc/70/49/35/1429704935.db2.gz WCPBZVORAZOMNZ-QMTHXVAHSA-N 0 1 382.386 3.399 20 0 GGADMN Cc1c([C@@H](C)NCCCOC[C@@H]2CCOC2)nnn1-c1ccc(Cl)cc1 ZINC000158232545 1424202205 /nfs/dbraw/zinc/20/22/05/1424202205.db2.gz XIWWUMKCNZKHSH-ZBFHGGJFSA-N 0 1 378.904 3.323 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@@H]2CCOC2)nnn1-c1ccc(Cl)cc1 ZINC000158232694 1424202314 /nfs/dbraw/zinc/20/23/14/1424202314.db2.gz XIWWUMKCNZKHSH-HOCLYGCPSA-N 0 1 378.904 3.323 20 0 GGADMN CCOc1cc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)ccc1OC(F)F ZINC000158240312 1424204672 /nfs/dbraw/zinc/20/46/72/1424204672.db2.gz LDSZYXXQLJMGCG-LBPRGKRZSA-N 0 1 396.356 3.330 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CCNC(=O)Cc3ccccc3)c2C1 ZINC000158279056 1424216053 /nfs/dbraw/zinc/21/60/53/1424216053.db2.gz RIUUJCUOWYISPX-UHFFFAOYSA-N 0 1 379.504 3.346 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)c2C1 ZINC000158283530 1424216669 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GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000158307579 1424222769 /nfs/dbraw/zinc/22/27/69/1424222769.db2.gz JQVBJBVOGLRXNU-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccc(Br)cc1CN[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000158326314 1424226683 /nfs/dbraw/zinc/22/66/83/1424226683.db2.gz LMMUCJOCWNHCOO-LBPRGKRZSA-N 0 1 395.219 3.101 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3ncccc3C(F)(F)F)n2)c(OC)c1 ZINC000180041810 1429709740 /nfs/dbraw/zinc/70/97/40/1429709740.db2.gz UTYNDTIVCAQLLK-UHFFFAOYSA-N 0 1 393.325 3.155 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000158333532 1424229299 /nfs/dbraw/zinc/22/92/99/1424229299.db2.gz KPRDGBCVDFITJZ-AWEZNQCLSA-N 0 1 391.313 3.248 20 0 GGADMN COc1ccc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC000158335560 1424229378 /nfs/dbraw/zinc/22/93/78/1424229378.db2.gz ZEQCMONKDKIQSY-FQEVSTJZSA-N 0 1 391.468 3.436 20 0 GGADMN COc1ccc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC000158335710 1424230313 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GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000158373444 1424239348 /nfs/dbraw/zinc/23/93/48/1424239348.db2.gz HWYDHTXIZWETLS-GOSISDBHSA-N 0 1 388.443 3.217 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000158394573 1424244330 /nfs/dbraw/zinc/24/43/30/1424244330.db2.gz FQKLOCCFNOQOOM-UHFFFAOYSA-N 0 1 397.523 3.401 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)[nH]c21 ZINC000158409465 1424247194 /nfs/dbraw/zinc/24/71/94/1424247194.db2.gz ZZMOGYZQIOSSRN-UHFFFAOYSA-N 0 1 395.806 3.441 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)[nH]c21 ZINC000158414107 1424248288 /nfs/dbraw/zinc/24/82/88/1424248288.db2.gz ISXHDGHTGPNOGL-UHFFFAOYSA-N 0 1 389.415 3.404 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000826186338 1424256734 /nfs/dbraw/zinc/25/67/34/1424256734.db2.gz OFIYXMIQJDUQER-CRAIPNDOSA-N 0 1 378.480 3.340 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000826186338 1424256739 /nfs/dbraw/zinc/25/67/39/1424256739.db2.gz OFIYXMIQJDUQER-CRAIPNDOSA-N 0 1 378.480 3.340 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000826186338 1424256745 /nfs/dbraw/zinc/25/67/45/1424256745.db2.gz OFIYXMIQJDUQER-CRAIPNDOSA-N 0 1 378.480 3.340 20 0 GGADMN Cc1sc2nc([C@@H](C)[NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000826350133 1424257177 /nfs/dbraw/zinc/25/71/77/1424257177.db2.gz JQJYNROUZHEGJE-WDEREUQCSA-N 0 1 394.508 3.482 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nncn2CC)c1 ZINC000158449168 1424257647 /nfs/dbraw/zinc/25/76/47/1424257647.db2.gz KNZKLOQNCUTUCF-UHFFFAOYSA-N 0 1 384.461 3.359 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](NCC(C)(C)C(=O)NC)c1ccccc1 ZINC000158450169 1424259044 /nfs/dbraw/zinc/25/90/44/1424259044.db2.gz MVLNOQVFACFKRV-IBGZPJMESA-N 0 1 383.492 3.127 20 0 GGADMN Cc1nc(N2CCOCC2)ccc1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000180046642 1429712070 /nfs/dbraw/zinc/71/20/70/1429712070.db2.gz QMBDNDSVDFOPBJ-UHFFFAOYSA-N 0 1 392.503 3.471 20 0 GGADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000821033781 1424264396 /nfs/dbraw/zinc/26/43/96/1424264396.db2.gz FHDYXAASWYLBGW-KBXCAEBGSA-N 0 1 380.500 3.292 20 0 GGADMN CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000180046387 1429712258 /nfs/dbraw/zinc/71/22/58/1429712258.db2.gz VXJBDPKXRXEJHZ-JENIJYKNSA-N 0 1 391.531 3.350 20 0 GGADMN COc1cccc(CCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000158486696 1424270072 /nfs/dbraw/zinc/27/00/72/1424270072.db2.gz HDASNVYPAQQOSP-UHFFFAOYSA-N 0 1 385.483 3.023 20 0 GGADMN CCOC(=O)N[C@H](CN[C@H](c1cnn(C)c1)c1cccc(F)c1)CC(C)C ZINC000180048235 1429712985 /nfs/dbraw/zinc/71/29/85/1429712985.db2.gz NVHCAPBNZDZLOR-OALUTQOASA-N 0 1 376.476 3.399 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000158565868 1424290636 /nfs/dbraw/zinc/29/06/36/1424290636.db2.gz RFUQKUDGYIOYIQ-QZTJIDSGSA-N 0 1 388.533 3.473 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(Cl)cc1F ZINC000158574405 1424293316 /nfs/dbraw/zinc/29/33/16/1424293316.db2.gz WHOGHWADUDKHJO-HNAYVOBHSA-N 0 1 376.859 3.092 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(F)c(F)cc1Cl ZINC000158573159 1424293710 /nfs/dbraw/zinc/29/37/10/1424293710.db2.gz URNQCKGRYJMDRV-IFXJQAMLSA-N 0 1 394.849 3.231 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000158587456 1424296339 /nfs/dbraw/zinc/29/63/39/1424296339.db2.gz TYNSIOFGRUKIRN-NRFANRHFSA-N 0 1 377.488 3.451 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000158586053 1424296438 /nfs/dbraw/zinc/29/64/38/1424296438.db2.gz VUPQGQIUUMVRRW-XZOQPEGZSA-N 0 1 393.531 3.084 20 0 GGADMN COc1ccccc1/C(C)=C/C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158590734 1424297712 /nfs/dbraw/zinc/29/77/12/1424297712.db2.gz AHFGDSCLQRRHFK-CIYPFXQWSA-N 0 1 394.515 3.098 20 0 GGADMN Cc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1CC(C)C ZINC000158591481 1424297757 /nfs/dbraw/zinc/29/77/57/1424297757.db2.gz WTEFWBSZOYLEQC-HDICACEKSA-N 0 1 398.551 3.387 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000158596069 1424298593 /nfs/dbraw/zinc/29/85/93/1424298593.db2.gz FQQGOJCFYUGKML-JKSUJKDBSA-N 0 1 392.496 3.303 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000158601097 1424298916 /nfs/dbraw/zinc/29/89/16/1424298916.db2.gz CHUOQFZFAHPZEC-HOTGVXAUSA-N 0 1 392.496 3.303 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000158601370 1424298940 /nfs/dbraw/zinc/29/89/40/1424298940.db2.gz CHUOQFZFAHPZEC-CVEARBPZSA-N 0 1 392.496 3.303 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000736232536 1424299547 /nfs/dbraw/zinc/29/95/47/1424299547.db2.gz ZCKVNPHXFBBFKL-UTKZUKDTSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232536 1424299556 /nfs/dbraw/zinc/29/95/56/1424299556.db2.gz ZCKVNPHXFBBFKL-UTKZUKDTSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232536 1424299560 /nfs/dbraw/zinc/29/95/60/1424299560.db2.gz ZCKVNPHXFBBFKL-UTKZUKDTSA-N 0 1 376.508 3.352 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000158601674 1424300116 /nfs/dbraw/zinc/30/01/16/1424300116.db2.gz AYQYFSJIMKDISL-ROUUACIJSA-N 0 1 388.533 3.188 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(F)cc1Cl ZINC000158616732 1424302230 /nfs/dbraw/zinc/30/22/30/1424302230.db2.gz RQPXNRXGMLCIML-HNAYVOBHSA-N 0 1 376.859 3.092 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cccs1 ZINC000158636170 1424306461 /nfs/dbraw/zinc/30/64/61/1424306461.db2.gz BCQIWIXGZBJPAD-ILXRZTDVSA-N 0 1 381.542 3.160 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2CC(=O)NCCCN2CCCCCC2=O)o1 ZINC000158646818 1424309560 /nfs/dbraw/zinc/30/95/60/1424309560.db2.gz GHLNOZDVHYLAAY-IBGZPJMESA-N 0 1 389.540 3.414 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(Cl)c(F)c1 ZINC000158658102 1424312116 /nfs/dbraw/zinc/31/21/16/1424312116.db2.gz GNTDDRLWICYUSZ-QFBILLFUSA-N 0 1 376.859 3.092 20 0 GGADMN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccccc1F ZINC000158657854 1424312214 /nfs/dbraw/zinc/31/22/14/1424312214.db2.gz DWSFGRYUSVXICF-JUXOCIIHSA-N 0 1 384.495 3.319 20 0 GGADMN O=C(c1ccc2nnc(C(F)F)n2c1)N1CCN(CC2CCCCC2)CC1 ZINC000158680407 1424316928 /nfs/dbraw/zinc/31/69/28/1424316928.db2.gz UGQNUZDHFWVBBY-UHFFFAOYSA-N 0 1 377.439 3.005 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158681162 1424318090 /nfs/dbraw/zinc/31/80/90/1424318090.db2.gz YDYJGXZBDSJMSJ-ZNLUXHQJSA-N 0 1 384.495 3.004 20 0 GGADMN Cc1cc2ncn(C[C@@H](O)CN3CCO[C@]4(CCc5ccccc54)C3)c2cc1C ZINC000158683092 1424318533 /nfs/dbraw/zinc/31/85/33/1424318533.db2.gz ZDEBBLQKEIVCBT-GBXCKJPGSA-N 0 1 391.515 3.188 20 0 GGADMN CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736569919 1424321004 /nfs/dbraw/zinc/32/10/04/1424321004.db2.gz KCPDBKKKYYXOMT-IBGZPJMESA-N 0 1 392.463 3.472 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736569919 1424321009 /nfs/dbraw/zinc/32/10/09/1424321009.db2.gz KCPDBKKKYYXOMT-IBGZPJMESA-N 0 1 392.463 3.472 20 0 GGADMN Cc1cccc2[nH]cc(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c21 ZINC000158703858 1424323146 /nfs/dbraw/zinc/32/31/46/1424323146.db2.gz UTJGBCISMJSGSX-KNQAVFIVSA-N 0 1 391.515 3.018 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2)C[C@@H](C)O1 ZINC000158706174 1424323817 /nfs/dbraw/zinc/32/38/17/1424323817.db2.gz VPVAJNYSEQQHHH-CHWSQXEVSA-N 0 1 382.432 3.379 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(OCC2CC2)cc1 ZINC000158712049 1424324495 /nfs/dbraw/zinc/32/44/95/1424324495.db2.gz YHAJORSASNZKTL-JTHBVZDNSA-N 0 1 394.515 3.088 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1csc(-c2ccco2)n1 ZINC000158716890 1424326271 /nfs/dbraw/zinc/32/62/71/1424326271.db2.gz PSQZUOFRHHRBIT-DLBZAZTESA-N 0 1 397.500 3.016 20 0 GGADMN CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000180056908 1429717665 /nfs/dbraw/zinc/71/76/65/1429717665.db2.gz MHVXHCSMXGSXHC-OAHLLOKOSA-N 0 1 390.509 3.038 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(Cl)ccc1F ZINC000158735857 1424330672 /nfs/dbraw/zinc/33/06/72/1424330672.db2.gz WJSOEQRKSXDQGU-DNVCBOLYSA-N 0 1 376.859 3.092 20 0 GGADMN CN(C(=O)c1ccc(CN2CCSCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000158742064 1424332277 /nfs/dbraw/zinc/33/22/77/1424332277.db2.gz SCQRYVDHYPZLHE-OAQYLSRUSA-N 0 1 384.545 3.431 20 0 GGADMN O=C(CCc1ccc(Cl)s1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000158747709 1424333065 /nfs/dbraw/zinc/33/30/65/1424333065.db2.gz HANCKVMXHJJOEB-FUHWJXTLSA-N 0 1 392.952 3.333 20 0 GGADMN CCOc1ccc(CCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000158745414 1424333131 /nfs/dbraw/zinc/33/31/31/1424333131.db2.gz VFKZXQTWEACKIJ-FYYLOGMGSA-N 0 1 396.531 3.017 20 0 GGADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(F)c1 ZINC000158752525 1424334321 /nfs/dbraw/zinc/33/43/21/1424334321.db2.gz BFVUWSUOAWBNQU-NQSCKRDGSA-N 0 1 384.495 3.319 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(-c2nnn[n-]2)c1C ZINC000822557413 1429718449 /nfs/dbraw/zinc/71/84/49/1429718449.db2.gz ICVCPYPDDZCETR-CQDKDKBSSA-N 0 1 388.541 3.384 20 0 GGADMN COC(=O)CCCN(Cc1ccccc1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000158767742 1424337572 /nfs/dbraw/zinc/33/75/72/1424337572.db2.gz SIWFGZXCJANZEL-UHFFFAOYSA-N 0 1 378.432 3.067 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000158778979 1424340103 /nfs/dbraw/zinc/34/01/03/1424340103.db2.gz XGTRQZGAGQLEBA-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN O=S(=O)(NC[C@H](O)c1ccc2ccccc2c1)c1c(F)cc(F)cc1F ZINC000158793910 1424343570 /nfs/dbraw/zinc/34/35/70/1424343570.db2.gz CSYZZQRYENHJKX-KRWDZBQOSA-N 0 1 381.375 3.269 20 0 GGADMN CCc1cnc(CN[C@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)s1 ZINC000158796401 1424344644 /nfs/dbraw/zinc/34/46/44/1424344644.db2.gz TWZBXHLOXJNBAM-CRAIPNDOSA-N 0 1 389.521 3.221 20 0 GGADMN C[C@H]1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820722662 1424345683 /nfs/dbraw/zinc/34/56/83/1424345683.db2.gz LFFCXGQAZOSKOE-ORAYPTAESA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820722662 1424345690 /nfs/dbraw/zinc/34/56/90/1424345690.db2.gz LFFCXGQAZOSKOE-ORAYPTAESA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820722662 1424345697 /nfs/dbraw/zinc/34/56/97/1424345697.db2.gz LFFCXGQAZOSKOE-ORAYPTAESA-N 0 1 380.427 3.027 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000158861398 1424358426 /nfs/dbraw/zinc/35/84/26/1424358426.db2.gz WLQXVAYPNSLMOC-UHFFFAOYSA-N 0 1 376.464 3.053 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nc(C2CC2)no1 ZINC000158861773 1424359393 /nfs/dbraw/zinc/35/93/93/1424359393.db2.gz RBLIRUFYZKYITE-NSHDSACASA-N 0 1 391.280 3.324 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)n[nH]2)c1 ZINC000158917884 1424372288 /nfs/dbraw/zinc/37/22/88/1424372288.db2.gz QFIUALSIPBBIDR-LJQANCHMSA-N 0 1 392.459 3.302 20 0 GGADMN CN(C)C(=O)Nc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000158946289 1424379153 /nfs/dbraw/zinc/37/91/53/1424379153.db2.gz AXPMJRJHALURKF-QGZVFWFLSA-N 0 1 386.521 3.409 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000158949900 1424380130 /nfs/dbraw/zinc/38/01/30/1424380130.db2.gz OPLQGUWQUPCFPC-UHFFFAOYSA-N 0 1 399.447 3.284 20 0 GGADMN CN(C)[C@@H](CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1cccs1 ZINC000159044294 1424403051 /nfs/dbraw/zinc/40/30/51/1424403051.db2.gz WLHODIXTNNATMZ-ABHNRTSZSA-N 0 1 391.581 3.332 20 0 GGADMN O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1Cc2ccccc2CN1 ZINC000159048271 1424404687 /nfs/dbraw/zinc/40/46/87/1424404687.db2.gz LOQIRAYYMBGYKM-FQEVSTJZSA-N 0 1 384.907 3.219 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)N(C)C)c1 ZINC000159078016 1424412033 /nfs/dbraw/zinc/41/20/33/1424412033.db2.gz HLYLIZUIIXPRJK-MRXNPFEDSA-N 0 1 397.397 3.064 20 0 GGADMN CN(C)C(=O)OCCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000159106857 1424419062 /nfs/dbraw/zinc/41/90/62/1424419062.db2.gz IQPLHXISSCPODE-CQSZACIVSA-N 0 1 378.860 3.268 20 0 GGADMN CN(C)C(=O)OCCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000159106702 1424419415 /nfs/dbraw/zinc/41/94/15/1424419415.db2.gz IQPLHXISSCPODE-AWEZNQCLSA-N 0 1 378.860 3.268 20 0 GGADMN C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(N2CCCC2=O)c1 ZINC000159125334 1424422594 /nfs/dbraw/zinc/42/25/94/1424422594.db2.gz JBXDSECZTNXBIO-LAUBAEHRSA-N 0 1 379.504 3.164 20 0 GGADMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(N2CCCC2=O)c1 ZINC000159125500 1424422607 /nfs/dbraw/zinc/42/26/07/1424422607.db2.gz JBXDSECZTNXBIO-DYESRHJHSA-N 0 1 379.504 3.164 20 0 GGADMN CCc1nn(C)cc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000180073341 1429725003 /nfs/dbraw/zinc/72/50/03/1429725003.db2.gz IGCXZSDTJROSQZ-UHFFFAOYSA-N 0 1 384.461 3.036 20 0 GGADMN CCC[C@H](NC(=O)[C@@H](C)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000159130800 1424424113 /nfs/dbraw/zinc/42/41/13/1424424113.db2.gz QHYHTGNYHKBNFI-QMMLZNLJSA-N 0 1 398.551 3.212 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000159139663 1424426906 /nfs/dbraw/zinc/42/69/06/1424426906.db2.gz NKZQNKSZWHMUDE-UHFFFAOYSA-N 0 1 389.260 3.327 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000159143804 1424427512 /nfs/dbraw/zinc/42/75/12/1424427512.db2.gz PENLHDZVVZWTEM-GJZGRUSLSA-N 0 1 395.546 3.296 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000159143912 1424427814 /nfs/dbraw/zinc/42/78/14/1424427814.db2.gz PENLHDZVVZWTEM-HUUCEWRRSA-N 0 1 395.546 3.296 20 0 GGADMN CCc1nc(CN(CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)n[nH]1 ZINC000159147951 1424428442 /nfs/dbraw/zinc/42/84/42/1424428442.db2.gz JMPXQCUNCGKHBS-UHFFFAOYSA-N 0 1 384.871 3.056 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@]1(C)CCCS1)N1CCCC1 ZINC000159157666 1424430766 /nfs/dbraw/zinc/43/07/66/1424430766.db2.gz SDOMFHZCADQHMV-PXNSSMCTSA-N 0 1 377.554 3.417 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@]1(C)CCCS1)N1CCCC1 ZINC000159157787 1424431051 /nfs/dbraw/zinc/43/10/51/1424431051.db2.gz SDOMFHZCADQHMV-YLJYHZDGSA-N 0 1 377.554 3.417 20 0 GGADMN Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)nn1-c1ccc(F)cc1F ZINC000159165161 1424432961 /nfs/dbraw/zinc/43/29/61/1424432961.db2.gz PQLQFWHTNWZDBW-UHFFFAOYSA-N 0 1 399.376 3.447 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H](C)C[C@H](O)c2ccccc2)N(C)C)c1 ZINC000159174626 1424435577 /nfs/dbraw/zinc/43/55/77/1424435577.db2.gz YLMMSRUCXFVDIL-CZAAIQMYSA-N 0 1 385.508 3.109 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)nc1C ZINC000159203618 1424442231 /nfs/dbraw/zinc/44/22/31/1424442231.db2.gz VDSVCDSEFSFTNK-UHFFFAOYSA-N 0 1 388.899 3.446 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[N@H+](C)Cc1ccccc1 ZINC000735570649 1424446745 /nfs/dbraw/zinc/44/67/45/1424446745.db2.gz OQJXYBUISHXZEQ-CYBMUJFWSA-N 0 1 396.520 3.266 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000735570649 1424446748 /nfs/dbraw/zinc/44/67/48/1424446748.db2.gz OQJXYBUISHXZEQ-CYBMUJFWSA-N 0 1 396.520 3.266 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2ccnc(Cl)c2)cc1OC ZINC000159226449 1424450897 /nfs/dbraw/zinc/45/08/97/1424450897.db2.gz GFHGOHSJBWIOCZ-CYBMUJFWSA-N 0 1 377.872 3.109 20 0 GGADMN COc1ccc(C(C)(C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821772842 1424453106 /nfs/dbraw/zinc/45/31/06/1424453106.db2.gz SDGFOVDWHXSMHS-UHFFFAOYSA-N 0 1 385.443 3.090 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000159254570 1424460396 /nfs/dbraw/zinc/46/03/96/1424460396.db2.gz RKRKVGFEHSVKHA-UHFFFAOYSA-N 0 1 396.466 3.261 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)[nH]c21 ZINC000159274147 1424467733 /nfs/dbraw/zinc/46/77/33/1424467733.db2.gz DYDNDNXGJHMVHA-AWEZNQCLSA-N 0 1 394.214 3.328 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)[nH]c21 ZINC000159274005 1424467775 /nfs/dbraw/zinc/46/77/75/1424467775.db2.gz DYDNDNXGJHMVHA-CQSZACIVSA-N 0 1 394.214 3.328 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000159292283 1424475003 /nfs/dbraw/zinc/47/50/03/1424475003.db2.gz YWBNTSLKCZZXMD-VQIMIIECSA-N 0 1 397.485 3.122 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000159292210 1424475048 /nfs/dbraw/zinc/47/50/48/1424475048.db2.gz YWBNTSLKCZZXMD-LPHOPBHVSA-N 0 1 397.485 3.122 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCN1CCOC ZINC000159294371 1424476074 /nfs/dbraw/zinc/47/60/74/1424476074.db2.gz LFGVYNHUSYAKMY-AWEZNQCLSA-N 0 1 389.418 3.392 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCN1CCOC ZINC000159294242 1424476203 /nfs/dbraw/zinc/47/62/03/1424476203.db2.gz LFGVYNHUSYAKMY-CQSZACIVSA-N 0 1 389.418 3.392 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cccc(OC4CCCCC4)c3)C2)CC1 ZINC000159296236 1424476703 /nfs/dbraw/zinc/47/67/03/1424476703.db2.gz PFAJGEKKSRXCEP-FQEVSTJZSA-N 0 1 385.552 3.250 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@H](C)Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159298881 1424477854 /nfs/dbraw/zinc/47/78/54/1424477854.db2.gz APSMSSGKICWOML-APWZRJJASA-N 0 1 397.485 3.122 20 0 GGADMN Cn1ccc(NC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)n1 ZINC000159314605 1424482153 /nfs/dbraw/zinc/48/21/53/1424482153.db2.gz RNWZYVRVQYIAEQ-UHFFFAOYSA-N 0 1 384.484 3.269 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cnc(-c2ccsc2)s1 ZINC000159315700 1424482312 /nfs/dbraw/zinc/48/23/12/1424482312.db2.gz RYBPZDBSFIDCNU-QGZVFWFLSA-N 0 1 399.541 3.021 20 0 GGADMN C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000159324753 1424485903 /nfs/dbraw/zinc/48/59/03/1424485903.db2.gz XDWPKKUNEJVAHU-CYBMUJFWSA-N 0 1 375.432 3.311 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)CCCc3nc(C4CC4)no3)CC2)cc1 ZINC000159331410 1424487556 /nfs/dbraw/zinc/48/75/56/1424487556.db2.gz GATIFYPDDDAECT-UHFFFAOYSA-N 0 1 398.507 3.013 20 0 GGADMN O=C(C[C@@H]1CCCN1C(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(F)cc1 ZINC000159334135 1424488504 /nfs/dbraw/zinc/48/85/04/1424488504.db2.gz NAQCPMDGMGRBID-SFHVURJKSA-N 0 1 378.407 3.488 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)C1 ZINC000159338525 1424489301 /nfs/dbraw/zinc/48/93/01/1424489301.db2.gz JGFKAKROLVRJHL-INIZCTEOSA-N 0 1 389.459 3.336 20 0 GGADMN O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000159340565 1424489877 /nfs/dbraw/zinc/48/98/77/1424489877.db2.gz UPPCEQOQAHUINY-INIZCTEOSA-N 0 1 379.382 3.014 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2nocc2C)CC1 ZINC000159347070 1424491661 /nfs/dbraw/zinc/49/16/61/1424491661.db2.gz ULEPJIHLCFRNLT-AWEZNQCLSA-N 0 1 375.448 3.147 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)n(-c2ccccc2)n1 ZINC000159349377 1424492278 /nfs/dbraw/zinc/49/22/78/1424492278.db2.gz QPCKJGQYXCWNJX-HNNXBMFYSA-N 0 1 386.459 3.327 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1cccc2nc[nH]c21 ZINC000159350290 1424493179 /nfs/dbraw/zinc/49/31/79/1424493179.db2.gz IGOPLWZBTIZUMV-SFHVURJKSA-N 0 1 384.867 3.020 20 0 GGADMN O=CNc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000159451888 1424503701 /nfs/dbraw/zinc/50/37/01/1424503701.db2.gz MAFHBBSKFBHPSO-SFHVURJKSA-N 0 1 387.867 3.008 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@](C)(O)c1ccccc1Cl)c1cccc(F)c1 ZINC000159492871 1424506958 /nfs/dbraw/zinc/50/69/58/1424506958.db2.gz DVZAWOZAFYRKHA-ICSRJNTNSA-N 0 1 393.890 3.289 20 0 GGADMN Cc1c(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822088869 1424515252 /nfs/dbraw/zinc/51/52/52/1424515252.db2.gz APKFDGOVUZPAGF-NVXWUHKLSA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822088869 1424515254 /nfs/dbraw/zinc/51/52/54/1424515254.db2.gz APKFDGOVUZPAGF-NVXWUHKLSA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822088869 1424515258 /nfs/dbraw/zinc/51/52/58/1424515258.db2.gz APKFDGOVUZPAGF-NVXWUHKLSA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnn1C(C)C ZINC000180089820 1429732158 /nfs/dbraw/zinc/73/21/58/1429732158.db2.gz OUHOJLSWOKNHMO-HNNXBMFYSA-N 0 1 387.503 3.154 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(C)C ZINC000180089022 1429732363 /nfs/dbraw/zinc/73/23/63/1429732363.db2.gz UZHOIRUHUCVOEE-ZACQAIPSSA-N 0 1 378.513 3.016 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822549172 1424524832 /nfs/dbraw/zinc/52/48/32/1424524832.db2.gz UQDYEOSJBSIEOK-AWEZNQCLSA-N 0 1 394.479 3.316 20 0 GGADMN CCC[C@H]1CN(CN2C(=S)N=NC2CCC2CCCC2)CCN1CCOC ZINC000159779569 1424535786 /nfs/dbraw/zinc/53/57/86/1424535786.db2.gz XOGAFEMLVCHTIU-SFHVURJKSA-N 0 1 395.617 3.080 20 0 GGADMN C[C@H]([NH2+]C(C)(C)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736126024 1424540434 /nfs/dbraw/zinc/54/04/34/1424540434.db2.gz LNJQIMOAOPYRHC-VUSFMPOISA-N 0 1 390.491 3.126 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000159869910 1424546729 /nfs/dbraw/zinc/54/67/29/1424546729.db2.gz DETYJEYUJFLOQD-KXBFYZLASA-N 0 1 387.455 3.226 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000159874582 1424547983 /nfs/dbraw/zinc/54/79/83/1424547983.db2.gz DBNMODNAZDAGMC-LPHOPBHVSA-N 0 1 384.476 3.149 20 0 GGADMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000159881523 1424548188 /nfs/dbraw/zinc/54/81/88/1424548188.db2.gz PIDSQGBWEDCUIT-QFBILLFUSA-N 0 1 386.492 3.395 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)cn1 ZINC000159958491 1424557531 /nfs/dbraw/zinc/55/75/31/1424557531.db2.gz WHAKZXOFIBCYJS-GFCCVEGCSA-N 0 1 379.258 3.155 20 0 GGADMN O=C(O[C@H](c1ccccn1)C(F)(F)F)c1cc(N2CC[NH+]=C2[O-])ccc1F ZINC000159996087 1424560751 /nfs/dbraw/zinc/56/07/51/1424560751.db2.gz AIXXCNRZEHIZRJ-CQSZACIVSA-N 0 1 383.301 3.211 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CSc4cccc[n+]4[O-])C3)[nH]c2c1 ZINC000159997135 1424560902 /nfs/dbraw/zinc/56/09/02/1424560902.db2.gz 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389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238123 1424783436 /nfs/dbraw/zinc/78/34/36/1424783436.db2.gz WYYAOJWKMAFIGN-HIFRSBDPSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238123 1424783443 /nfs/dbraw/zinc/78/34/43/1424783443.db2.gz WYYAOJWKMAFIGN-HIFRSBDPSA-N 0 1 389.935 3.314 20 0 GGADMN C[C@@H]1CC(=O)CC[C@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000161875934 1424784446 /nfs/dbraw/zinc/78/44/46/1424784446.db2.gz CCNUAZRWKUMIRW-FOIQADDNSA-N 0 1 392.927 3.305 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000161882365 1424786778 /nfs/dbraw/zinc/78/67/78/1424786778.db2.gz CVAKFTFRIJEXAS-KRWDZBQOSA-N 0 1 375.432 3.082 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000161882365 1424786781 /nfs/dbraw/zinc/78/67/81/1424786781.db2.gz CVAKFTFRIJEXAS-KRWDZBQOSA-N 0 1 375.432 3.082 20 0 GGADMN COCCOc1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)ccn1 ZINC000180137309 1429753380 /nfs/dbraw/zinc/75/33/80/1429753380.db2.gz WRQDCJKUQYXDJK-UHFFFAOYSA-N 0 1 378.388 3.495 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)CCN1CCOC ZINC000161888345 1424788990 /nfs/dbraw/zinc/78/89/90/1424788990.db2.gz RERQXNJRRWACBE-FQEVSTJZSA-N 0 1 397.523 3.417 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccccc2OC(F)F)cc1 ZINC000161898964 1424791242 /nfs/dbraw/zinc/79/12/42/1424791242.db2.gz BDMDZIYWGYRKNZ-CQSZACIVSA-N 0 1 384.448 3.226 20 0 GGADMN O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000180136380 1429753557 /nfs/dbraw/zinc/75/35/57/1429753557.db2.gz CHQQNAMIGQLJJU-UHFFFAOYSA-N 0 1 389.830 3.270 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)nn1-c1ccc(F)cc1 ZINC000180136381 1429753764 /nfs/dbraw/zinc/75/37/64/1429753764.db2.gz JVRUIBVPRGKAOB-FQEVSTJZSA-N 0 1 384.430 3.492 20 0 GGADMN CC[C@H](C)[C@@H](NCc1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000161914453 1424795148 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20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc5[nH]c(=O)n(C)c5c4)C3)[nH]c2c1 ZINC000161966493 1424804166 /nfs/dbraw/zinc/80/41/66/1424804166.db2.gz JWESFSVAQSFDBH-HNNXBMFYSA-N 0 1 389.459 3.071 20 0 GGADMN O=C1[C@H](Nc2ccc(CCN3CCOCC3)cc2)CCCN1c1ccccc1F ZINC000161978985 1424805625 /nfs/dbraw/zinc/80/56/25/1424805625.db2.gz DNISYQGWZNCDRQ-OAQYLSRUSA-N 0 1 397.494 3.308 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000161986715 1424806648 /nfs/dbraw/zinc/80/66/48/1424806648.db2.gz CUZUCOPNAXAHSF-UHFFFAOYSA-N 0 1 394.518 3.011 20 0 GGADMN CN1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000161995077 1424806870 /nfs/dbraw/zinc/80/68/70/1424806870.db2.gz HFFXAFINJFXFQW-UHFFFAOYSA-N 0 1 387.867 3.235 20 0 GGADMN Cn1cnc(-c2cccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)c2)n1 ZINC000162009867 1424808321 /nfs/dbraw/zinc/80/83/21/1424808321.db2.gz YBEJHFDVOFGDPO-KRWDZBQOSA-N 0 1 380.452 3.034 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)c1ccco1 ZINC000162028917 1424810043 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3.424 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@H](CCO)C(C)C)cs2)c1 ZINC000162188695 1424824717 /nfs/dbraw/zinc/82/47/17/1424824717.db2.gz VNSGJWVCUNOADP-QGZVFWFLSA-N 0 1 375.538 3.438 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000162208610 1424826752 /nfs/dbraw/zinc/82/67/52/1424826752.db2.gz YBISVUCQORSQOM-UHFFFAOYSA-N 0 1 399.401 3.490 20 0 GGADMN COc1cc(OC)c(OC)cc1CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000162208868 1424826813 /nfs/dbraw/zinc/82/68/13/1424826813.db2.gz GUFTUTLOAULSFV-OAHLLOKOSA-N 0 1 382.464 3.486 20 0 GGADMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000162208366 1424826876 /nfs/dbraw/zinc/82/68/76/1424826876.db2.gz KXJDQHCWGJNZCX-INIZCTEOSA-N 0 1 381.455 3.058 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)c2C1 ZINC000162211776 1424826883 /nfs/dbraw/zinc/82/68/83/1424826883.db2.gz QVJDRSTYVOBUSV-GOSISDBHSA-N 0 1 392.503 3.040 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000162223768 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GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(OC(C)(C)C)CC2)cc1F ZINC000162381363 1424844337 /nfs/dbraw/zinc/84/43/37/1424844337.db2.gz QBBCMRFVGJYKRQ-OAHLLOKOSA-N 0 1 380.504 3.461 20 0 GGADMN COC[C@@H](NCCNC(=O)c1cccc(OC)c1)c1cccc(C(F)(F)F)c1 ZINC000162409249 1424847841 /nfs/dbraw/zinc/84/78/41/1424847841.db2.gz QHFLAMFOBDBTDJ-GOSISDBHSA-N 0 1 396.409 3.421 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCC(OC(C)(C)C)CC1 ZINC000162411107 1424847900 /nfs/dbraw/zinc/84/79/00/1424847900.db2.gz VBPUTENBXNJBBK-JKSUJKDBSA-N 0 1 390.524 3.303 20 0 GGADMN CCN(CC(C)(C)O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000162435237 1424851526 /nfs/dbraw/zinc/85/15/26/1424851526.db2.gz WXOKZADIOPUHQE-IBGZPJMESA-N 0 1 377.529 3.025 20 0 GGADMN CCN(CC(C)(C)O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000162435368 1424851643 /nfs/dbraw/zinc/85/16/43/1424851643.db2.gz WXOKZADIOPUHQE-LJQANCHMSA-N 0 1 377.529 3.025 20 0 GGADMN CC(=O)N1CCc2sc(-c3csc([C@@H]4CN5CCC[C@@H]5CO4)n3)cc2C1 ZINC000162445734 1424852719 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Cc1ccc(-c2n[nH]c(NC(=O)c3cc(NC(=O)N(C)C)ccc3Cl)n2)o1 ZINC000162492481 1424858568 /nfs/dbraw/zinc/85/85/68/1424858568.db2.gz ABGBBQPOWDCRPL-UHFFFAOYSA-N 0 1 388.815 3.372 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(C)ccc3-n3ccnc3)[nH]c21 ZINC000162532362 1424862769 /nfs/dbraw/zinc/86/27/69/1424862769.db2.gz PGMPAYISDZLISR-UHFFFAOYSA-N 0 1 375.388 3.096 20 0 GGADMN COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821868335 1424863274 /nfs/dbraw/zinc/86/32/74/1424863274.db2.gz PEQAHOANHDVXKC-FQEVSTJZSA-N 0 1 381.480 3.067 20 0 GGADMN c1nc(N2CCOCC2)sc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000162531776 1424863143 /nfs/dbraw/zinc/86/31/43/1424863143.db2.gz IFYVSBGYQJMDHA-QGZVFWFLSA-N 0 1 387.505 3.088 20 0 GGADMN COc1cccc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868335 1424863284 /nfs/dbraw/zinc/86/32/84/1424863284.db2.gz PEQAHOANHDVXKC-FQEVSTJZSA-N 0 1 381.480 3.067 20 0 GGADMN COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868335 1424863294 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C[C@@H](NC(=O)c1ccnc(Cl)c1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000162600745 1424870988 /nfs/dbraw/zinc/87/09/88/1424870988.db2.gz LWSLESNUDFSYPI-GFCCVEGCSA-N 0 1 394.853 3.256 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(OC3CCCC3)nc2)c1 ZINC000162641254 1424874289 /nfs/dbraw/zinc/87/42/89/1424874289.db2.gz PZERILHIHGRFQE-OAHLLOKOSA-N 0 1 389.521 3.162 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN[C@H](C)[C@@H]2CCOC2)cs1 ZINC000162645641 1424874978 /nfs/dbraw/zinc/87/49/78/1424874978.db2.gz FSMOCCXRGLWGEO-UKRRQHHQSA-N 0 1 375.494 3.351 20 0 GGADMN Cc1cc(C)cc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)c1 ZINC000162644167 1424875116 /nfs/dbraw/zinc/87/51/16/1424875116.db2.gz COEICJKVBJXAOE-UHFFFAOYSA-N 0 1 383.517 3.429 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OC3CCCC3)nc2)cc1 ZINC000162652737 1424875650 /nfs/dbraw/zinc/87/56/50/1424875650.db2.gz BRFOMFAMGAHRMI-OAHLLOKOSA-N 0 1 389.521 3.162 20 0 GGADMN CC[C@@H](NCc1ccc(OCC(N)=O)c(OC)c1)c1cc(Cl)ccc1OC ZINC000162669543 1424877290 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382.512 3.098 20 0 GGADMN CCN(CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1cccc(C)c1 ZINC000162930918 1424908168 /nfs/dbraw/zinc/90/81/68/1424908168.db2.gz ZYZMAJUBRGKPJL-GOSISDBHSA-N 0 1 396.539 3.406 20 0 GGADMN CN1CCN(c2ccc(NCc3c[nH]nc3-c3c(F)cccc3F)cn2)CC1 ZINC000162930435 1424908286 /nfs/dbraw/zinc/90/82/86/1424908286.db2.gz SWSDEVJTRHKQJL-UHFFFAOYSA-N 0 1 384.434 3.114 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CCN1CCOC ZINC000162938442 1424909109 /nfs/dbraw/zinc/90/91/09/1424909109.db2.gz PWNNWFJBNOFFKT-GHTZIAJQSA-N 0 1 399.539 3.076 20 0 GGADMN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162954651 1424912624 /nfs/dbraw/zinc/91/26/24/1424912624.db2.gz SEISWEQBHNJPDR-PBHICJAKSA-N 0 1 383.496 3.298 20 0 GGADMN O=C(NCc1ccccc1OC(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162956811 1424912701 /nfs/dbraw/zinc/91/27/01/1424912701.db2.gz YQFHJWOGPOADNI-AWEZNQCLSA-N 0 1 391.422 3.373 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821087355 1424912940 /nfs/dbraw/zinc/91/29/40/1424912940.db2.gz AFLRNYARQTUWOJ-INIZCTEOSA-N 0 1 379.512 3.200 20 0 GGADMN CCC[N@H+](C)C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821087355 1424912942 /nfs/dbraw/zinc/91/29/42/1424912942.db2.gz AFLRNYARQTUWOJ-INIZCTEOSA-N 0 1 379.512 3.200 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821087355 1424912944 /nfs/dbraw/zinc/91/29/44/1424912944.db2.gz AFLRNYARQTUWOJ-INIZCTEOSA-N 0 1 379.512 3.200 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000162977093 1424916723 /nfs/dbraw/zinc/91/67/23/1424916723.db2.gz JDILYRIABPBWSI-CXAGYDPISA-N 0 1 396.495 3.291 20 0 GGADMN C[C@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000162983285 1424917285 /nfs/dbraw/zinc/91/72/85/1424917285.db2.gz STIFTNBCJNYXHF-GUYCJALGSA-N 0 1 387.423 3.191 20 0 GGADMN C[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000162983371 1424917642 /nfs/dbraw/zinc/91/76/42/1424917642.db2.gz STIFTNBCJNYXHF-DYVFJYSZSA-N 0 1 387.423 3.191 20 0 GGADMN CCOCc1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000162984418 1424917846 /nfs/dbraw/zinc/91/78/46/1424917846.db2.gz UDPPFHFPJKFWJE-GOSISDBHSA-N 0 1 383.496 3.308 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)n1 ZINC000180153262 1429765051 /nfs/dbraw/zinc/76/50/51/1429765051.db2.gz RQBLDGYYOBDRFT-UHFFFAOYSA-N 0 1 392.394 3.366 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)N1CCc2ccccc21 ZINC000163015463 1424923805 /nfs/dbraw/zinc/92/38/05/1424923805.db2.gz HNMVIMJOOQFTNK-QAPCUYQASA-N 0 1 394.523 3.022 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)N1CCc2ccccc21 ZINC000163015598 1424924051 /nfs/dbraw/zinc/92/40/51/1424924051.db2.gz HNMVIMJOOQFTNK-CRAIPNDOSA-N 0 1 394.523 3.022 20 0 GGADMN O=C(COc1cccc(NC(=O)C2CC2)c1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000163019641 1424925061 /nfs/dbraw/zinc/92/50/61/1424925061.db2.gz AWSRNRJPZFHMDF-SFHVURJKSA-N 0 1 398.459 3.215 20 0 GGADMN O=C(NCCOc1cccc(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163022483 1424925209 /nfs/dbraw/zinc/92/52/09/1424925209.db2.gz GDBBHUFJJBKKTF-AWEZNQCLSA-N 0 1 389.887 3.304 20 0 GGADMN O=C(NCCOc1cccc(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163022584 1424925222 /nfs/dbraw/zinc/92/52/22/1424925222.db2.gz GDBBHUFJJBKKTF-CQSZACIVSA-N 0 1 389.887 3.304 20 0 GGADMN C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc(N2CCCC2=O)c1 ZINC000163027674 1424925730 /nfs/dbraw/zinc/92/57/30/1424925730.db2.gz ZKWSYNMQMKKKJO-CQSZACIVSA-N 0 1 375.432 3.090 20 0 GGADMN Cc1cccc(OC[C@H](C)NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000163053032 1424931375 /nfs/dbraw/zinc/93/13/75/1424931375.db2.gz RRCCAZMDYOIVAT-RDJZCZTQSA-N 0 1 383.496 3.347 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)COCc1ccccc1 ZINC000163062707 1424933953 /nfs/dbraw/zinc/93/39/53/1424933953.db2.gz FZZVBFVNVTUTBX-APWZRJJASA-N 0 1 397.523 3.424 20 0 GGADMN COc1ccc(OCCCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000163072839 1424935070 /nfs/dbraw/zinc/93/50/70/1424935070.db2.gz GHYWBOSRIBSVJO-MRXNPFEDSA-N 0 1 399.495 3.049 20 0 GGADMN Cc1nn(C)c2ncc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)cc12 ZINC000163098919 1424939088 /nfs/dbraw/zinc/93/90/88/1424939088.db2.gz UDYXRPLGJLTSIA-UHFFFAOYSA-N 0 1 393.476 3.101 20 0 GGADMN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3nnc(S)n3C)cc12 ZINC000163109101 1424941580 /nfs/dbraw/zinc/94/15/80/1424941580.db2.gz OOBVWZFUUDERRS-UHFFFAOYSA-N 0 1 398.517 3.051 20 0 GGADMN C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163111146 1424942358 /nfs/dbraw/zinc/94/23/58/1424942358.db2.gz NUQJGYKNEALQQS-YJBOKZPZSA-N 0 1 394.523 3.022 20 0 GGADMN C[C@H](CC(=O)OC[C@@H]1CCCN1Cc1ccco1)NC(=O)C1CCCCC1 ZINC000163128896 1424947312 /nfs/dbraw/zinc/94/73/12/1424947312.db2.gz XGLXPFLMIJTUTL-AEFFLSMTSA-N 0 1 376.497 3.262 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000736286797 1424948424 /nfs/dbraw/zinc/94/84/24/1424948424.db2.gz NNYRSYBSUMFWBH-OXQOHEQNSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000736286797 1424948428 /nfs/dbraw/zinc/94/84/28/1424948428.db2.gz NNYRSYBSUMFWBH-OXQOHEQNSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000736286797 1424948433 /nfs/dbraw/zinc/94/84/33/1424948433.db2.gz NNYRSYBSUMFWBH-OXQOHEQNSA-N 0 1 390.491 3.321 20 0 GGADMN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000163164733 1424951274 /nfs/dbraw/zinc/95/12/74/1424951274.db2.gz XKTSMZKSAYYUHU-CRAIPNDOSA-N 0 1 390.505 3.303 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)[nH]n2)cc1 ZINC000163161913 1424951488 /nfs/dbraw/zinc/95/14/88/1424951488.db2.gz XSOCNPHJUIQXRR-UHFFFAOYSA-N 0 1 376.416 3.230 20 0 GGADMN O=C(NCCc1ccc(F)cc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163161649 1424951630 /nfs/dbraw/zinc/95/16/30/1424951630.db2.gz PKKNYLLWEWCQIQ-CQSZACIVSA-N 0 1 375.423 3.092 20 0 GGADMN COc1ccc(NC(=O)C[C@@H](C)NCc2ccn(-c3ccccc3)n2)c(OC)c1 ZINC000163165678 1424952721 /nfs/dbraw/zinc/95/27/21/1424952721.db2.gz GCIMWLHMOKZWJY-MRXNPFEDSA-N 0 1 394.475 3.396 20 0 GGADMN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163173728 1424953523 /nfs/dbraw/zinc/95/35/23/1424953523.db2.gz RLXHBJPXEXSKEQ-HEHGZKQESA-N 0 1 387.434 3.405 20 0 GGADMN O=C(NCC1(c2cccc(F)c2)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163191947 1424956862 /nfs/dbraw/zinc/95/68/62/1424956862.db2.gz CTMLZSXLGMBZJM-OAHLLOKOSA-N 0 1 383.471 3.442 20 0 GGADMN O=C(NCc1coc(-c2ccccc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163201925 1424957559 /nfs/dbraw/zinc/95/75/59/1424957559.db2.gz YRNCTYKHMRCKJV-INIZCTEOSA-N 0 1 392.463 3.426 20 0 GGADMN CCN1CCCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)CC1 ZINC000163199855 1424957765 /nfs/dbraw/zinc/95/77/65/1424957765.db2.gz UOYBAONBONVWFA-SFHVURJKSA-N 0 1 395.503 3.319 20 0 GGADMN Cc1csc([C@@H](NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C2CC2)n1 ZINC000163206410 1424958568 /nfs/dbraw/zinc/95/85/68/1424958568.db2.gz OUHCHSUETFAWTP-GJZGRUSLSA-N 0 1 386.525 3.487 20 0 GGADMN Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccccc2OC(C)C)c(-c2nnn[n-]2)c1C ZINC000826342034 1424959145 /nfs/dbraw/zinc/95/91/45/1424959145.db2.gz WFZPMMFGOBKXGF-CYBMUJFWSA-N 0 1 398.467 3.153 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Oc1ccccc1F ZINC000163215651 1424960474 /nfs/dbraw/zinc/96/04/74/1424960474.db2.gz CJLPJTXRMYKXOQ-HIFRSBDPSA-N 0 1 387.459 3.178 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Oc1ccc(F)cc1 ZINC000163216096 1424960640 /nfs/dbraw/zinc/96/06/40/1424960640.db2.gz JCBMYVVBQAKIIR-HIFRSBDPSA-N 0 1 387.459 3.178 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163218027 1424961150 /nfs/dbraw/zinc/96/11/50/1424961150.db2.gz XWXZOXLEMLAGMT-HOCLYGCPSA-N 0 1 399.495 3.047 20 0 GGADMN CC[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1c(C)nn(C)c1C ZINC000163220208 1424961196 /nfs/dbraw/zinc/96/11/96/1424961196.db2.gz GPDCUHIFZUCDRD-CVEARBPZSA-N 0 1 385.516 3.073 20 0 GGADMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000163222567 1424962116 /nfs/dbraw/zinc/96/21/16/1424962116.db2.gz BRVADRCVIQUIHT-NSHDSACASA-N 0 1 396.447 3.493 20 0 GGADMN CO[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(F)cc1 ZINC000163225880 1424962280 /nfs/dbraw/zinc/96/22/80/1424962280.db2.gz BCLQLAHCTDLYAO-DOTOQJQBSA-N 0 1 387.459 3.098 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1cccnc1 ZINC000163247856 1424965893 /nfs/dbraw/zinc/96/58/93/1424965893.db2.gz WMHSDUIEEYBVKK-ROUUACIJSA-N 0 1 382.512 3.406 20 0 GGADMN COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H](C)CC(C)C)s1 ZINC000163244713 1424966183 /nfs/dbraw/zinc/96/61/83/1424966183.db2.gz IHVRSXRXSVTBEX-QMMMGPOBSA-N 0 1 384.317 3.010 20 0 GGADMN CCOc1cc(C)ccc1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163257786 1424967454 /nfs/dbraw/zinc/96/74/54/1424967454.db2.gz WSDBRUFUVVXCDL-KRWDZBQOSA-N 0 1 383.496 3.478 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)n1 ZINC000826276402 1424967661 /nfs/dbraw/zinc/96/76/61/1424967661.db2.gz DZLXJOLRAKRNBN-UHFFFAOYSA-N 0 1 398.474 3.140 20 0 GGADMN C[C@@H](O)C[C@@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000163262920 1424968568 /nfs/dbraw/zinc/96/85/68/1424968568.db2.gz HKJFHUDJUZATQO-MNEFBYGVSA-N 0 1 397.523 3.126 20 0 GGADMN C[C@@H](O)C[C@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000163263152 1424968727 /nfs/dbraw/zinc/96/87/27/1424968727.db2.gz HKJFHUDJUZATQO-AYOQOUSVSA-N 0 1 397.523 3.126 20 0 GGADMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3nccc(-c4ccco4)n3)cc2F)c1 ZINC000163265915 1424969765 /nfs/dbraw/zinc/96/97/65/1424969765.db2.gz KIONHGSIDRMBPX-UHFFFAOYSA-N 0 1 399.407 3.171 20 0 GGADMN COCCC1(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCCC1 ZINC000163264261 1424969848 /nfs/dbraw/zinc/96/98/48/1424969848.db2.gz NSTQXGYQGYTGGB-INIZCTEOSA-N 0 1 375.517 3.168 20 0 GGADMN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000163269314 1424970169 /nfs/dbraw/zinc/97/01/69/1424970169.db2.gz MWGQQMDVPMCMNC-TZIWHRDSSA-N 0 1 396.487 3.021 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C[C@H](C)SC)CC2)c1C ZINC000163279544 1424972061 /nfs/dbraw/zinc/97/20/61/1424972061.db2.gz LBJHNENOIHKLKT-HNNXBMFYSA-N 0 1 379.570 3.271 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000736901360 1424973388 /nfs/dbraw/zinc/97/33/88/1424973388.db2.gz JZBZNPTZOMWYRR-FXAWDEMLSA-N 0 1 391.475 3.036 20 0 GGADMN Clc1ccc2sc(C[NH2+]Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1 ZINC000737576055 1424976040 /nfs/dbraw/zinc/97/60/40/1424976040.db2.gz SIWYECPSLWBBJN-UHFFFAOYSA-N 0 1 396.867 3.067 20 0 GGADMN CC1(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)Cc2ccccc2C1 ZINC000163303759 1424976467 /nfs/dbraw/zinc/97/64/67/1424976467.db2.gz PGGCPAWWVPFGBX-SFHVURJKSA-N 0 1 379.508 3.376 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000163312170 1424977042 /nfs/dbraw/zinc/97/70/42/1424977042.db2.gz DXNUJSOVRXMEQB-INIZCTEOSA-N 0 1 398.511 3.344 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000824761996 1424979955 /nfs/dbraw/zinc/97/99/55/1424979955.db2.gz DWUGIHBCAOWZGV-LPHOPBHVSA-N 0 1 394.523 3.042 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333757 1424983350 /nfs/dbraw/zinc/98/33/50/1424983350.db2.gz LPBFNZNZVUWKCW-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333757 1424983352 /nfs/dbraw/zinc/98/33/52/1424983352.db2.gz LPBFNZNZVUWKCW-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)nn1-c1cccc(Cl)c1 ZINC000180153455 1429764635 /nfs/dbraw/zinc/76/46/35/1429764635.db2.gz XVBGNTDQLKRJGF-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)COc3ccc4c(c3)CCCC4)n2)cc1 ZINC000163379348 1424987908 /nfs/dbraw/zinc/98/79/08/1424987908.db2.gz LLDJGDKEKOPULN-UHFFFAOYSA-N 0 1 392.459 3.054 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)COc3ccc4c(c3)CCCC4)n[nH]2)cc1 ZINC000163379348 1424987913 /nfs/dbraw/zinc/98/79/13/1424987913.db2.gz LLDJGDKEKOPULN-UHFFFAOYSA-N 0 1 392.459 3.054 20 0 GGADMN C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824407224 1424988349 /nfs/dbraw/zinc/98/83/49/1424988349.db2.gz VTOUSYOQHGTGHX-FOIQADDNSA-N 0 1 381.455 3.400 20 0 GGADMN CCOc1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OCC ZINC000163381653 1424988885 /nfs/dbraw/zinc/98/88/85/1424988885.db2.gz JZKOJRPXMJVJEQ-OAHLLOKOSA-N 0 1 392.521 3.324 20 0 GGADMN C[C@@H]([NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(N2CCOCC2)c1 ZINC000824536967 1424989192 /nfs/dbraw/zinc/98/91/92/1424989192.db2.gz BGCWFXWOBWSZIJ-MRXNPFEDSA-N 0 1 390.491 3.043 20 0 GGADMN O=C1CC2(CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)Oc2ccc(F)cc21 ZINC001139094847 1424996256 /nfs/dbraw/zinc/99/62/56/1424996256.db2.gz JLQCKWKGXMRDCY-UHFFFAOYSA-N 0 1 393.422 3.006 20 0 GGADMN Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000826299102 1424997658 /nfs/dbraw/zinc/99/76/58/1424997658.db2.gz QYLATTKPZGOSJN-CYBMUJFWSA-N 0 1 382.443 3.130 20 0 GGADMN C[C@]1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC[NH2+]C1 ZINC000163441386 1425000097 /nfs/dbraw/zinc/00/00/97/1425000097.db2.gz WAIFTJXZCCTYHD-SFHVURJKSA-N 0 1 393.896 3.079 20 0 GGADMN COC(=O)CCCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163456409 1425002752 /nfs/dbraw/zinc/00/27/52/1425002752.db2.gz SGIXFRBAEKTXDC-UHFFFAOYSA-N 0 1 386.414 3.083 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000163483143 1425006409 /nfs/dbraw/zinc/00/64/09/1425006409.db2.gz LFAAINQJSUVPMA-LSDHHAIUSA-N 0 1 390.505 3.167 20 0 GGADMN COCCc1noc(CN(C)C(=O)c2cc(Cl)c3ccccc3c2O)n1 ZINC000163489486 1425007395 /nfs/dbraw/zinc/00/73/95/1425007395.db2.gz BHIUMDKZRIMMFW-UHFFFAOYSA-N 0 1 375.812 3.043 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)c2)n1 ZINC000163504687 1425009398 /nfs/dbraw/zinc/00/93/98/1425009398.db2.gz PNOCZCUJGHZRLO-UHFFFAOYSA-N 0 1 392.440 3.287 20 0 GGADMN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163542066 1425014772 /nfs/dbraw/zinc/01/47/72/1425014772.db2.gz CUMCWJRDANZGCI-JKSUJKDBSA-N 0 1 397.479 3.261 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC[C@H](CNC(=O)C(C)(C)C)C3)c[nH]c12 ZINC000163548673 1425015907 /nfs/dbraw/zinc/01/59/07/1425015907.db2.gz VRDPPCYVOXPVTQ-OAHLLOKOSA-N 0 1 383.492 3.263 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2csc(-c3ccco3)n2)CCN1CCOC ZINC000163546289 1425016042 /nfs/dbraw/zinc/01/60/42/1425016042.db2.gz GMVBAYIWGOFTIJ-MRXNPFEDSA-N 0 1 392.525 3.045 20 0 GGADMN COc1ccc([C@@H](NC(=O)c2ccc3[nH]nnc3c2)c2ccccc2OC)cc1 ZINC000163560997 1425018604 /nfs/dbraw/zinc/01/86/04/1425018604.db2.gz LJWLDAIUFDFPQJ-OAQYLSRUSA-N 0 1 388.427 3.495 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000163570289 1425019414 /nfs/dbraw/zinc/01/94/14/1425019414.db2.gz MMZHXARQVHQVPG-HNNXBMFYSA-N 0 1 385.464 3.281 20 0 GGADMN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000163585680 1425021945 /nfs/dbraw/zinc/02/19/45/1425021945.db2.gz NLKWVZCRELPQBW-LJQANCHMSA-N 0 1 383.467 3.107 20 0 GGADMN C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N(C)C1CC1 ZINC000736025544 1425022807 /nfs/dbraw/zinc/02/28/07/1425022807.db2.gz LQYAYVGDSUFRPR-INIZCTEOSA-N 0 1 392.507 3.018 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)[nH]n2)c1 ZINC000163659060 1425029933 /nfs/dbraw/zinc/02/99/33/1425029933.db2.gz OAFTUNPGBXTULC-UHFFFAOYSA-N 0 1 376.416 3.247 20 0 GGADMN O=C(CN1C[C@H]2CCCC[C@@]21c1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000163663899 1425030944 /nfs/dbraw/zinc/03/09/44/1425030944.db2.gz ZQWNHCUUGQZTPY-AUSIDOKSSA-N 0 1 384.520 3.190 20 0 GGADMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000163686038 1425033568 /nfs/dbraw/zinc/03/35/68/1425033568.db2.gz JULVTVMUMVKAQW-INIZCTEOSA-N 0 1 392.475 3.300 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(CN4CCCCC4=O)CC3)c[nH]c12 ZINC000163737145 1425039536 /nfs/dbraw/zinc/03/95/36/1425039536.db2.gz NFVGLRSNEWWRKK-UHFFFAOYSA-N 0 1 381.476 3.114 20 0 GGADMN COc1ccnc(N2CCN(C(=O)CSc3nccc4ccccc43)CC2)c1 ZINC000163756834 1425041498 /nfs/dbraw/zinc/04/14/98/1425041498.db2.gz DBMWVCSPANPSKU-UHFFFAOYSA-N 0 1 394.500 3.079 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)CCCO2 ZINC000163770215 1425042930 /nfs/dbraw/zinc/04/29/30/1425042930.db2.gz XRCDDEKNESPYSN-FQEVSTJZSA-N 0 1 384.476 3.166 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163778928 1425043671 /nfs/dbraw/zinc/04/36/71/1425043671.db2.gz CBBDQUXTTDMPRM-FGZHOGPDSA-N 0 1 379.504 3.264 20 0 GGADMN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cnn(Cc2ccccc2)c1 ZINC000163821913 1425048060 /nfs/dbraw/zinc/04/80/60/1425048060.db2.gz URMRHRKIVQRJHB-GOSISDBHSA-N 0 1 392.503 3.249 20 0 GGADMN C[C@@](O)(CN1CCC(C)(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000180161914 1429773186 /nfs/dbraw/zinc/77/31/86/1429773186.db2.gz DINKEFDEHGYMMZ-JOCHJYFZSA-N 0 1 387.545 3.351 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163926290 1425058834 /nfs/dbraw/zinc/05/88/34/1425058834.db2.gz YFQHBVNHLLRVMC-HOTGVXAUSA-N 0 1 376.526 3.007 20 0 GGADMN CN(Cc1ccccc1F)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139094737 1429773708 /nfs/dbraw/zinc/77/37/08/1429773708.db2.gz HENLRIFNRCHPGZ-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CCn1cc([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cn1 ZINC000163997791 1425066800 /nfs/dbraw/zinc/06/68/00/1425066800.db2.gz DMMORDUVYACGGT-IRXDYDNUSA-N 0 1 390.553 3.174 20 0 GGADMN O=C(c1cn(Cc2ccccc2)c2ccccc2c1=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000164010633 1425068544 /nfs/dbraw/zinc/06/85/44/1425068544.db2.gz PBARPLRTIZAAHG-KDURUIRLSA-N 0 1 387.483 3.016 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cncc(F)c1 ZINC000164015564 1425068830 /nfs/dbraw/zinc/06/88/30/1425068830.db2.gz YMJJQIAFWGWGFI-HOTGVXAUSA-N 0 1 391.512 3.492 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cncc(F)c1 ZINC000164015435 1425068856 /nfs/dbraw/zinc/06/88/56/1425068856.db2.gz YMJJQIAFWGWGFI-CVEARBPZSA-N 0 1 391.512 3.492 20 0 GGADMN COCOc1ccc(OC)cc1CNCc1ccc(CN2CCCC2=O)cc1 ZINC000164036778 1425070473 /nfs/dbraw/zinc/07/04/73/1425070473.db2.gz LJPOFMYPAFQGTH-UHFFFAOYSA-N 0 1 384.476 3.090 20 0 GGADMN Cc1ccnc(N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)c1 ZINC000164044748 1425071375 /nfs/dbraw/zinc/07/13/75/1425071375.db2.gz ROTWVWAIQZELFI-QGZVFWFLSA-N 0 1 376.298 3.008 20 0 GGADMN COCOc1ccc(OC)cc1CNc1ccc(CCN2CCOCC2)cc1 ZINC000164047147 1425071578 /nfs/dbraw/zinc/07/15/78/1425071578.db2.gz GTTDSJGDCZAVQW-UHFFFAOYSA-N 0 1 386.492 3.165 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000737559439 1425072285 /nfs/dbraw/zinc/07/22/85/1425072285.db2.gz XWQAVSROPXPPMY-HNNXBMFYSA-N 0 1 375.908 3.372 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000737559439 1425072296 /nfs/dbraw/zinc/07/22/96/1425072296.db2.gz XWQAVSROPXPPMY-HNNXBMFYSA-N 0 1 375.908 3.372 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000737559439 1425072302 /nfs/dbraw/zinc/07/23/02/1425072302.db2.gz XWQAVSROPXPPMY-HNNXBMFYSA-N 0 1 375.908 3.372 20 0 GGADMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1 ZINC000231688829 1433373285 /nfs/dbraw/zinc/37/32/85/1433373285.db2.gz YXPGOBCENFEGSU-UHFFFAOYSA-N 0 1 386.658 3.478 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000164075058 1425074644 /nfs/dbraw/zinc/07/46/44/1425074644.db2.gz BZPDJMDFBQKBBK-UHFFFAOYSA-N 0 1 395.528 3.301 20 0 GGADMN CCN(CC(C)(C)O)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000164126910 1425079229 /nfs/dbraw/zinc/07/92/29/1425079229.db2.gz OUHCTYRYMJZZEQ-SFHVURJKSA-N 0 1 377.529 3.025 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H](O)c1ccccc1 ZINC000164212071 1425088387 /nfs/dbraw/zinc/08/83/87/1425088387.db2.gz GWGUESMILNEAAR-ZWKOTPCHSA-N 0 1 378.394 3.130 20 0 GGADMN CC[NH+](CC)CCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736530239 1425090955 /nfs/dbraw/zinc/09/09/55/1425090955.db2.gz GYUCMUSDTYXTIF-UHFFFAOYSA-N 0 1 384.459 3.339 20 0 GGADMN C[C@H](NCCN1CCN(c2ncccn2)CC1)c1nc(-c2ccccc2)cs1 ZINC000164356202 1425102092 /nfs/dbraw/zinc/10/20/92/1425102092.db2.gz ASPDJMVUUKIRAR-KRWDZBQOSA-N 0 1 394.548 3.073 20 0 GGADMN C[C@@H](NCCN1CCN(c2ncccn2)CC1)c1nc(-c2ccccc2)cs1 ZINC000164356260 1425102587 /nfs/dbraw/zinc/10/25/87/1425102587.db2.gz ASPDJMVUUKIRAR-QGZVFWFLSA-N 0 1 394.548 3.073 20 0 GGADMN CC(C)OCCCNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164370096 1425103851 /nfs/dbraw/zinc/10/38/51/1425103851.db2.gz PJXOPUGNRBVUNH-AWEZNQCLSA-N 0 1 385.390 3.027 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000164469043 1425115134 /nfs/dbraw/zinc/11/51/34/1425115134.db2.gz VLGZXIBSOKJZJG-UZKOGDIHSA-N 0 1 383.536 3.071 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccnc3)C3CC3)n2)cc1 ZINC000164497028 1425117910 /nfs/dbraw/zinc/11/79/10/1425117910.db2.gz XTWJHWKJMNEDAS-UHFFFAOYSA-N 0 1 379.489 3.458 20 0 GGADMN O=C(NCCCOCC1CC1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164501718 1425118760 /nfs/dbraw/zinc/11/87/60/1425118760.db2.gz HDWZQESNMFRIBI-HNNXBMFYSA-N 0 1 397.401 3.029 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000164551440 1425122800 /nfs/dbraw/zinc/12/28/00/1425122800.db2.gz CKYCIZIAPGRMRG-UHFFFAOYSA-N 0 1 398.532 3.046 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000164569241 1425124696 /nfs/dbraw/zinc/12/46/96/1425124696.db2.gz IKCFBLNOJWIYBB-GOSISDBHSA-N 0 1 399.495 3.094 20 0 GGADMN CC(C)(C)OC(=O)[C@H](NS(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 ZINC000164615582 1425129820 /nfs/dbraw/zinc/12/98/20/1425129820.db2.gz PXJWVJBAICBBIG-QGZVFWFLSA-N 0 1 397.443 3.467 20 0 GGADMN CCOCCCCNC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164623840 1425130454 /nfs/dbraw/zinc/13/04/54/1425130454.db2.gz XIWQMYMLZGLPCB-CQSZACIVSA-N 0 1 385.390 3.029 20 0 GGADMN Cc1cccc(CNC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000164624867 1425130704 /nfs/dbraw/zinc/13/07/04/1425130704.db2.gz ZGKMOXJMZVVKIQ-HNNXBMFYSA-N 0 1 390.369 3.116 20 0 GGADMN CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428114 1425133156 /nfs/dbraw/zinc/13/31/56/1425133156.db2.gz BUSLDYBYJNJOST-CQSZACIVSA-N 0 1 397.479 3.476 20 0 GGADMN C[C@@]1([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCCOC1 ZINC000824837908 1425134275 /nfs/dbraw/zinc/13/42/75/1425134275.db2.gz JYPSWPHYXHANIE-OAQYLSRUSA-N 0 1 379.464 3.104 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC(c4nncn4C(C)C)CC3)n[nH]2)cc1 ZINC000164727342 1425137300 /nfs/dbraw/zinc/13/73/00/1425137300.db2.gz HHJLJKFKNSGMGL-UHFFFAOYSA-N 0 1 394.479 3.278 20 0 GGADMN C[N@@H+](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)CC(C)(C)C ZINC000736787535 1425138019 /nfs/dbraw/zinc/13/80/19/1425138019.db2.gz KRJFAHWIRPTGJT-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Br ZINC000820276415 1425145926 /nfs/dbraw/zinc/14/59/26/1425145926.db2.gz WRTCATQHNDKFGD-LBPRGKRZSA-N 0 1 388.269 3.186 20 0 GGADMN Cc1c([C@H](C)N[C@H](C(=O)N2CCOCC2)C(C)C)cnn1-c1cc(C)ccc1C ZINC000164849793 1425146368 /nfs/dbraw/zinc/14/63/68/1425146368.db2.gz NBFJHPFWWKRFNC-AVRDEDQJSA-N 0 1 398.551 3.332 20 0 GGADMN CC(C)[C@@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000164962187 1425153594 /nfs/dbraw/zinc/15/35/94/1425153594.db2.gz XXBXUXKOMAGZKF-MLGOLLRUSA-N 0 1 390.858 3.475 20 0 GGADMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cccnc3-c3ccccc3)ccc21 ZINC000164979489 1425154299 /nfs/dbraw/zinc/15/42/99/1425154299.db2.gz ZRFAQJAGOFDOAD-UHFFFAOYSA-N 0 1 379.441 3.068 20 0 GGADMN CC[C@@H](N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)N1CCOCC1 ZINC000165030583 1425157245 /nfs/dbraw/zinc/15/72/45/1425157245.db2.gz FFNIESKBKVNJHU-YLJYHZDGSA-N 0 1 384.524 3.086 20 0 GGADMN CC[C@H](N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)N1CCOCC1 ZINC000165030454 1425157752 /nfs/dbraw/zinc/15/77/52/1425157752.db2.gz FFNIESKBKVNJHU-XLIONFOSSA-N 0 1 384.524 3.086 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821449914 1425162772 /nfs/dbraw/zinc/16/27/72/1425162772.db2.gz YEOGYMGTGUGONS-STQMWFEESA-N 0 1 394.570 3.090 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028987 1425173768 /nfs/dbraw/zinc/17/37/68/1425173768.db2.gz LSHUSYAQFIELRI-IRXDYDNUSA-N 0 1 397.870 3.087 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028987 1425173773 /nfs/dbraw/zinc/17/37/73/1425173773.db2.gz LSHUSYAQFIELRI-IRXDYDNUSA-N 0 1 397.870 3.087 20 0 GGADMN N[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1 ZINC000165425068 1425178361 /nfs/dbraw/zinc/17/83/61/1425178361.db2.gz IEZUQTAUNQTEJQ-GOSISDBHSA-N 0 1 375.925 3.209 20 0 GGADMN N[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1 ZINC000165424938 1425178475 /nfs/dbraw/zinc/17/84/75/1425178475.db2.gz IEZUQTAUNQTEJQ-SFHVURJKSA-N 0 1 375.925 3.209 20 0 GGADMN Fc1ccc(N2CCC([NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)CC2)c(F)c1 ZINC000826375298 1425178715 /nfs/dbraw/zinc/17/87/15/1425178715.db2.gz HPTXRWSOYOGNCX-UHFFFAOYSA-N 0 1 396.445 3.393 20 0 GGADMN COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)cc1-c1nnn[n-]1 ZINC000821804851 1425193190 /nfs/dbraw/zinc/19/31/90/1425193190.db2.gz PYFYRLPAMLDNEF-FQEVSTJZSA-N 0 1 390.422 3.289 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCONC(=O)C(C)(C)c2ccccc2)c1 ZINC000165923680 1425201498 /nfs/dbraw/zinc/20/14/98/1425201498.db2.gz FERBUDDIONOHRN-UHFFFAOYSA-N 0 1 375.490 3.184 20 0 GGADMN Cc1ccnc(N2CCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000166182435 1425207844 /nfs/dbraw/zinc/20/78/44/1425207844.db2.gz QWVUNCJCJUKVNP-UHFFFAOYSA-N 0 1 383.883 3.458 20 0 GGADMN Cc1cc(C)cc(C2=CC[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264421 1425210832 /nfs/dbraw/zinc/21/08/32/1425210832.db2.gz NXQQQQIOESIGRL-OAQYLSRUSA-N 0 1 375.476 3.306 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(Br)nc1 ZINC000166437782 1425212533 /nfs/dbraw/zinc/21/25/33/1425212533.db2.gz DXEPNJCYWHVUAR-UHFFFAOYSA-N 0 1 375.270 3.024 20 0 GGADMN CN(CCNC(=O)Nc1ccc(Br)nc1)Cc1ccc(F)cc1 ZINC000166569693 1425214647 /nfs/dbraw/zinc/21/46/47/1425214647.db2.gz SZGCQRBQMZNGQC-UHFFFAOYSA-N 0 1 381.249 3.237 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166584883 1425214696 /nfs/dbraw/zinc/21/46/96/1425214696.db2.gz LIOMGSZJPPVFOH-GQWLDOHISA-N 0 1 388.533 3.026 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(Br)nc2)N(C)C)c1 ZINC000166613182 1425215470 /nfs/dbraw/zinc/21/54/70/1425215470.db2.gz OWGYCWCOUIUYHJ-OAHLLOKOSA-N 0 1 393.285 3.277 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc(Br)nc2)N(C)C)c1 ZINC000166613088 1425215618 /nfs/dbraw/zinc/21/56/18/1425215618.db2.gz OWGYCWCOUIUYHJ-HNNXBMFYSA-N 0 1 393.285 3.277 20 0 GGADMN N[C@@H](C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)c1cccc(Cl)c1 ZINC000166802202 1425217749 /nfs/dbraw/zinc/21/77/49/1425217749.db2.gz AOPVPZXFSCLEGN-QGZVFWFLSA-N 0 1 397.866 3.191 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(Br)nc1)c1ccc(F)cc1 ZINC000166960179 1425220149 /nfs/dbraw/zinc/22/01/49/1425220149.db2.gz SHYIXHKVZOZSOT-CQSZACIVSA-N 0 1 381.249 3.408 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000167008240 1425220576 /nfs/dbraw/zinc/22/05/76/1425220576.db2.gz TZVBTOONGSXYBG-JXFKEZNVSA-N 0 1 383.923 3.305 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000737031945 1425223949 /nfs/dbraw/zinc/22/39/49/1425223949.db2.gz IQGYUAIGUVENSH-UHFFFAOYSA-N 0 1 385.443 3.304 20 0 GGADMN Cn1ncc2c1CCC[C@H]2NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167445557 1425226815 /nfs/dbraw/zinc/22/68/15/1425226815.db2.gz UAGHFUCMALSZJN-HXUWFJFHSA-N 0 1 390.491 3.304 20 0 GGADMN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1NCCc2ccccc21 ZINC000167609804 1425228604 /nfs/dbraw/zinc/22/86/04/1425228604.db2.gz YSBRAXXOVOWPSN-HNNXBMFYSA-N 0 1 383.345 3.186 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN2CCN(CC3CCCCC3)CC2)c1 ZINC000167830036 1425232480 /nfs/dbraw/zinc/23/24/80/1425232480.db2.gz ITBWNUVTQOPSIA-UHFFFAOYSA-N 0 1 378.582 3.357 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000168154393 1425236055 /nfs/dbraw/zinc/23/60/55/1425236055.db2.gz MUYNFOOCBILKMU-LLVKDONJSA-N 0 1 388.411 3.186 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168233777 1425236748 /nfs/dbraw/zinc/23/67/48/1425236748.db2.gz RXLOUJJZKPNOTL-NSHDSACASA-N 0 1 388.411 3.186 20 0 GGADMN CN(Cc1cccc(-c2nnn[n-]2)c1F)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000825976930 1425238449 /nfs/dbraw/zinc/23/84/49/1425238449.db2.gz RKRSIHNKVBDZOO-LJQANCHMSA-N 0 1 395.417 3.100 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000820658865 1425246786 /nfs/dbraw/zinc/24/67/86/1425246786.db2.gz VCOWLUBUYHFMEM-YOEHRIQHSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820658865 1425246790 /nfs/dbraw/zinc/24/67/90/1425246790.db2.gz VCOWLUBUYHFMEM-YOEHRIQHSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000820658865 1425246796 /nfs/dbraw/zinc/24/67/96/1425246796.db2.gz VCOWLUBUYHFMEM-YOEHRIQHSA-N 0 1 396.520 3.053 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)N2CCCC2)o1 ZINC000170633862 1425267787 /nfs/dbraw/zinc/26/77/87/1425267787.db2.gz WTFQFCMWHCHSSJ-PKOBYXMFSA-N 0 1 399.491 3.156 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)N2CCCC2)o1 ZINC000170633863 1425267977 /nfs/dbraw/zinc/26/79/77/1425267977.db2.gz WTFQFCMWHCHSSJ-HKUYNNGSSA-N 0 1 399.491 3.156 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1-c1nnn[n-]1 ZINC000826194635 1425269883 /nfs/dbraw/zinc/26/98/83/1425269883.db2.gz RFBCQJQXDBYFLD-OAHLLOKOSA-N 0 1 384.509 3.328 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1-c1nn[n-]n1 ZINC000826194635 1425269891 /nfs/dbraw/zinc/26/98/91/1425269891.db2.gz RFBCQJQXDBYFLD-OAHLLOKOSA-N 0 1 384.509 3.328 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1-c1nn[n-]n1 ZINC000826194635 1425269897 /nfs/dbraw/zinc/26/98/97/1425269897.db2.gz RFBCQJQXDBYFLD-OAHLLOKOSA-N 0 1 384.509 3.328 20 0 GGADMN O=C(NCc1ccc(F)cc1)C1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000170637829 1425270398 /nfs/dbraw/zinc/27/03/98/1425270398.db2.gz QCMTUYNIMFVDTJ-UHFFFAOYSA-N 0 1 393.466 3.070 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000170647341 1425273937 /nfs/dbraw/zinc/27/39/37/1425273937.db2.gz PVYSKILXNYVRKF-QGZVFWFLSA-N 0 1 387.524 3.029 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000170647685 1425274022 /nfs/dbraw/zinc/27/40/22/1425274022.db2.gz SQLHJXQHTKBFJN-UZLBHIALSA-N 0 1 387.524 3.101 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647609 1425274433 /nfs/dbraw/zinc/27/44/33/1425274433.db2.gz SDDHGOMAGSJBEK-JKSUJKDBSA-N 0 1 398.507 3.408 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000170647683 1425274537 /nfs/dbraw/zinc/27/45/37/1425274537.db2.gz SQLHJXQHTKBFJN-JXFKEZNVSA-N 0 1 387.524 3.101 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648021 1425275136 /nfs/dbraw/zinc/27/51/36/1425275136.db2.gz KVOUHAOMNURPMS-IBGZPJMESA-N 0 1 389.540 3.270 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647953 1425275300 /nfs/dbraw/zinc/27/53/00/1425275300.db2.gz HGAAIWHXPOBYED-GOEBONIOSA-N 0 1 395.931 3.191 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648065 1425275758 /nfs/dbraw/zinc/27/57/58/1425275758.db2.gz OCGMFINAIHMSDW-KRWDZBQOSA-N 0 1 393.503 3.021 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000170648173 1425276115 /nfs/dbraw/zinc/27/61/15/1425276115.db2.gz JKUKYEMNIGWHQQ-HUUCEWRRSA-N 0 1 395.931 3.364 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170648158 1425276238 /nfs/dbraw/zinc/27/62/38/1425276238.db2.gz XLMVGMNPSPVHRN-FGTMMUONSA-N 0 1 389.540 3.141 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648277 1425276310 /nfs/dbraw/zinc/27/63/10/1425276310.db2.gz POYYLEFLJOBAKI-GVDBMIGSSA-N 0 1 387.524 3.199 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170648147 1425276486 /nfs/dbraw/zinc/27/64/86/1425276486.db2.gz CYZHPZLGOAEIFA-ZWKOTPCHSA-N 0 1 389.540 3.327 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648276 1425276514 /nfs/dbraw/zinc/27/65/14/1425276514.db2.gz POYYLEFLJOBAKI-BRWVUGGUSA-N 0 1 387.524 3.199 20 0 GGADMN CC(C)N(C(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170648504 1425276958 /nfs/dbraw/zinc/27/69/58/1425276958.db2.gz CAXKMFFSLIVJIC-QGZVFWFLSA-N 0 1 375.513 3.275 20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651085 1425277282 /nfs/dbraw/zinc/27/72/82/1425277282.db2.gz MSXSDWZGSUFPAV-INIZCTEOSA-N 0 1 385.483 3.416 20 0 GGADMN C[C@H](C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1)N1C(=O)NC2(CCCC2)C1=O ZINC000170665587 1425284786 /nfs/dbraw/zinc/28/47/86/1425284786.db2.gz HBEZIKOZFDBXEV-GFCCVEGCSA-N 0 1 397.479 3.052 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170680457 1425294891 /nfs/dbraw/zinc/29/48/91/1425294891.db2.gz HEMVMLTZZFVUCQ-VXKWHMMOSA-N 0 1 379.504 3.264 20 0 GGADMN COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821904740 1425294962 /nfs/dbraw/zinc/29/49/62/1425294962.db2.gz YXJYYYVQDVWIOW-AWEZNQCLSA-N 0 1 399.520 3.402 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)N(C(C)C)C(C)C)C2)cc1 ZINC000170687626 1425300135 /nfs/dbraw/zinc/30/01/35/1425300135.db2.gz AGFJJJCEXHKDIM-IBGZPJMESA-N 0 1 388.556 3.474 20 0 GGADMN Brc1cc(C[N@H+](Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)cs1 ZINC000823827106 1425300680 /nfs/dbraw/zinc/30/06/80/1425300680.db2.gz UPAPYDGMZVGLHK-UHFFFAOYSA-N 0 1 391.298 3.250 20 0 GGADMN Brc1cc(C[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)cs1 ZINC000823827106 1425300690 /nfs/dbraw/zinc/30/06/90/1425300690.db2.gz UPAPYDGMZVGLHK-UHFFFAOYSA-N 0 1 391.298 3.250 20 0 GGADMN CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503380 1425302947 /nfs/dbraw/zinc/30/29/47/1425302947.db2.gz VTWLNBWDLKRYCE-DLBZAZTESA-N 0 1 392.507 3.297 20 0 GGADMN CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503380 1425302953 /nfs/dbraw/zinc/30/29/53/1425302953.db2.gz VTWLNBWDLKRYCE-DLBZAZTESA-N 0 1 392.507 3.297 20 0 GGADMN CC[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000825140635 1425305093 /nfs/dbraw/zinc/30/50/93/1425305093.db2.gz LJXRRHKEFOREMS-KRWDZBQOSA-N 0 1 386.406 3.214 20 0 GGADMN CCc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000825712614 1425309971 /nfs/dbraw/zinc/30/99/71/1425309971.db2.gz SKAZJSDKEKGGAY-UHFFFAOYSA-N 0 1 378.480 3.304 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCCNc1ccccn1 ZINC000170711189 1425312119 /nfs/dbraw/zinc/31/21/19/1425312119.db2.gz QIVNNAGXGIEVDC-UHFFFAOYSA-N 0 1 396.539 3.156 20 0 GGADMN Cc1nc2n(n1)C[C@H](NCc1c(C)nn(Cc3ccc(F)cc3)c1Cl)CC2 ZINC000170715737 1425314573 /nfs/dbraw/zinc/31/45/73/1425314573.db2.gz RGXVXUUCTFPLEN-MRXNPFEDSA-N 0 1 388.878 3.037 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000170724126 1425317842 /nfs/dbraw/zinc/31/78/42/1425317842.db2.gz HUCGRYZJWVBIRH-YOEHRIQHSA-N 0 1 387.484 3.214 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)N2CCCC2)o1 ZINC000170724882 1425318655 /nfs/dbraw/zinc/31/86/55/1425318655.db2.gz BHDLBVMNDDMMSG-CRAIPNDOSA-N 0 1 399.495 3.276 20 0 GGADMN CC(C)c1ccc(CN(C(=O)CN2CCC[C@@H](CCC(N)=O)C2)C2CC2)cc1 ZINC000170732824 1425322365 /nfs/dbraw/zinc/32/23/65/1425322365.db2.gz XUICUZLKDUVUAG-SFHVURJKSA-N 0 1 385.552 3.279 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CCC(N)=O)C1)c1ccc2c(c1)CCCC2 ZINC000170733970 1425322460 /nfs/dbraw/zinc/32/24/60/1425322460.db2.gz YLLHCIKIWIIWGP-OKZBNKHCSA-N 0 1 385.552 3.109 20 0 GGADMN NC(=O)CC[C@H]1CCCN(CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000170738072 1425323110 /nfs/dbraw/zinc/32/31/10/1425323110.db2.gz VDMZWTCHICGXDO-GOSISDBHSA-N 0 1 377.573 3.458 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1ccc([C@@H](C)O)cc1)N1CCCC1 ZINC000170748943 1425326310 /nfs/dbraw/zinc/32/63/10/1425326310.db2.gz CJSFJFGAJJMPBU-UTKZUKDTSA-N 0 1 397.519 3.385 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCc1cccc(O)c1)N1CCCC1 ZINC000170748946 1425326610 /nfs/dbraw/zinc/32/66/10/1425326610.db2.gz MOPKVGNNDIKTDG-HXUWFJFHSA-N 0 1 383.492 3.080 20 0 GGADMN CSc1ccc([C@H](CNC(=O)CN(C)C)N2CCc3sccc3C2)cc1 ZINC000170757164 1425329065 /nfs/dbraw/zinc/32/90/65/1425329065.db2.gz HERQPPCKQORSSL-SFHVURJKSA-N 0 1 389.590 3.247 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4ccc(-c5nn[n-]n5)cc4)CC[C@@H]32)cc1 ZINC000823781020 1425329744 /nfs/dbraw/zinc/32/97/44/1425329744.db2.gz YQQRNXBNFFBWPC-VXKWHMMOSA-N 0 1 388.519 3.353 20 0 GGADMN O=C(Nc1cc(-c2cccs2)nn1CCO)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000170766837 1425332213 /nfs/dbraw/zinc/33/22/13/1425332213.db2.gz SXEZDUZXZDFEFN-UHFFFAOYSA-N 0 1 397.435 3.385 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n(CCO)n1 ZINC000170767457 1425332624 /nfs/dbraw/zinc/33/26/24/1425332624.db2.gz DOPSQHWVUIUCPJ-UHFFFAOYSA-N 0 1 387.443 3.493 20 0 GGADMN CCC[C@H](NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000170768424 1425333034 /nfs/dbraw/zinc/33/30/34/1425333034.db2.gz JJIKIKSAMDXJES-SFHVURJKSA-N 0 1 375.419 3.151 20 0 GGADMN CN(C)CC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000170769458 1425333770 /nfs/dbraw/zinc/33/37/70/1425333770.db2.gz PNTBLCYVVARSDS-UHFFFAOYSA-N 0 1 382.895 3.413 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736247486 1425335506 /nfs/dbraw/zinc/33/55/06/1425335506.db2.gz FCZXVZLFIBAISH-TXEJJXNPSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736247486 1425335514 /nfs/dbraw/zinc/33/55/14/1425335514.db2.gz FCZXVZLFIBAISH-TXEJJXNPSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736247486 1425335525 /nfs/dbraw/zinc/33/55/25/1425335525.db2.gz FCZXVZLFIBAISH-TXEJJXNPSA-N 0 1 393.948 3.069 20 0 GGADMN Cn1cc(C[NH2+]CCSc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361810 1425341666 /nfs/dbraw/zinc/34/16/66/1425341666.db2.gz QCVOYAUIQQJMAS-UHFFFAOYSA-N 0 1 391.504 3.149 20 0 GGADMN CSCCc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000170785821 1425342601 /nfs/dbraw/zinc/34/26/01/1425342601.db2.gz HSJCRRIEXDSDRR-UHFFFAOYSA-N 0 1 385.514 3.380 20 0 GGADMN COc1cc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc(OC)c1OC ZINC000170790916 1425343760 /nfs/dbraw/zinc/34/37/60/1425343760.db2.gz AJVJRHCZQHIGHS-GOSISDBHSA-N 0 1 385.382 3.252 20 0 GGADMN COc1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)c(OC)c1OC ZINC000170790961 1425343780 /nfs/dbraw/zinc/34/37/80/1425343780.db2.gz AOJWJEVUUUEAGI-GOSISDBHSA-N 0 1 385.382 3.252 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)CCC(=O)NC)ccc21 ZINC000170792105 1425344672 /nfs/dbraw/zinc/34/46/72/1425344672.db2.gz SAYBUPVXUKNOON-HNNXBMFYSA-N 0 1 380.492 3.209 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@H]1CCC[C@@H]1O ZINC000825980713 1425346283 /nfs/dbraw/zinc/34/62/83/1425346283.db2.gz HQKYAIYUGGXDFP-CTNGQTDRSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCC[C@@H]1O ZINC000825980713 1425346288 /nfs/dbraw/zinc/34/62/88/1425346288.db2.gz HQKYAIYUGGXDFP-CTNGQTDRSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCC[C@@H]1O ZINC000825980713 1425346296 /nfs/dbraw/zinc/34/62/96/1425346296.db2.gz HQKYAIYUGGXDFP-CTNGQTDRSA-N 0 1 393.491 3.039 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000170819706 1425353056 /nfs/dbraw/zinc/35/30/56/1425353056.db2.gz XSIYPXBIQZDXSV-UHFFFAOYSA-N 0 1 396.422 3.337 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCOC3CCCC3)c2C1 ZINC000170820334 1425354211 /nfs/dbraw/zinc/35/42/11/1425354211.db2.gz MPFFWIREQLCDGV-INIZCTEOSA-N 0 1 387.524 3.061 20 0 GGADMN CC(C)OCc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000170828148 1425357907 /nfs/dbraw/zinc/35/79/07/1425357907.db2.gz JVDGIZXBYGFJBJ-UHFFFAOYSA-N 0 1 380.448 3.247 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000170830398 1425358852 /nfs/dbraw/zinc/35/88/52/1425358852.db2.gz ARUUKCWLAKSZNP-UHFFFAOYSA-N 0 1 377.370 3.285 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@H](O)C1CCCCC1)N1CCCC1 ZINC000170837011 1425361779 /nfs/dbraw/zinc/36/17/79/1425361779.db2.gz YDFYKHXHGFNTAD-PMACEKPBSA-N 0 1 389.540 3.073 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1-c1nnn[n-]1 ZINC000826374554 1425362309 /nfs/dbraw/zinc/36/23/09/1425362309.db2.gz DHNTXDZSHNOXSB-GFCCVEGCSA-N 0 1 395.364 3.058 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@H]2C2CCC2)N(C)C)cc1OC ZINC000170862436 1425373263 /nfs/dbraw/zinc/37/32/63/1425373263.db2.gz PURWJCWTLQAJDD-ROUUACIJSA-N 0 1 375.513 3.281 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCOc2cccc(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000822352436 1425373248 /nfs/dbraw/zinc/37/32/48/1425373248.db2.gz ZOQGDDYUFBYIMA-OXJNMPFZSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCOc2cccc(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000822352436 1425373252 /nfs/dbraw/zinc/37/32/52/1425373252.db2.gz ZOQGDDYUFBYIMA-OXJNMPFZSA-N 0 1 379.464 3.016 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000170875319 1425376586 /nfs/dbraw/zinc/37/65/86/1425376586.db2.gz ANQQKOHERUDSRD-KRWDZBQOSA-N 0 1 375.444 3.106 20 0 GGADMN CN(C[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1)C(=O)OC(C)(C)C ZINC000170918242 1425391324 /nfs/dbraw/zinc/39/13/24/1425391324.db2.gz DFIUKCKXFWHYCK-AWEZNQCLSA-N 0 1 380.460 3.381 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918201 1425391917 /nfs/dbraw/zinc/39/19/17/1425391917.db2.gz DMVDXSURTXPSQC-DOTOQJQBSA-N 0 1 393.503 3.019 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000826175647 1425394027 /nfs/dbraw/zinc/39/40/27/1425394027.db2.gz LTHMQZRCWURPOJ-UHFFFAOYSA-N 0 1 391.834 3.179 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820409893 1425403069 /nfs/dbraw/zinc/40/30/69/1425403069.db2.gz BLVXQEBSXUILDP-RRQGHBQHSA-N 0 1 386.500 3.211 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000170947644 1425407213 /nfs/dbraw/zinc/40/72/13/1425407213.db2.gz WTPDCYIGGQTCTK-CQSZACIVSA-N 0 1 399.491 3.294 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)/C=C(\C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000170950397 1425412325 /nfs/dbraw/zinc/41/23/25/1425412325.db2.gz AGSVQMZTACXVES-IDCODDLRSA-N 0 1 395.469 3.347 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)NCc1cccc(Cl)c1 ZINC000170971287 1425421266 /nfs/dbraw/zinc/42/12/66/1425421266.db2.gz NWVQSYDAUAZPSP-UHFFFAOYSA-N 0 1 376.859 3.391 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)on1 ZINC000170971043 1425421668 /nfs/dbraw/zinc/42/16/68/1425421668.db2.gz BTQNNEOWCMXEQD-UHFFFAOYSA-N 0 1 375.444 3.345 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000170971597 1425421702 /nfs/dbraw/zinc/42/17/02/1425421702.db2.gz RSNWXJDIVZSTDC-LJQANCHMSA-N 0 1 384.451 3.061 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)NCCCOC1CCCCC1 ZINC000170972227 1425422322 /nfs/dbraw/zinc/42/23/22/1425422322.db2.gz DJNPKORDKXXTDF-UHFFFAOYSA-N 0 1 392.515 3.277 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000170972002 1425422335 /nfs/dbraw/zinc/42/23/35/1425422335.db2.gz ALACRRHMGULNLY-UHFFFAOYSA-N 0 1 385.439 3.018 20 0 GGADMN COc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000170971998 1425422400 /nfs/dbraw/zinc/42/24/00/1425422400.db2.gz MUMSMVBDDHVYCZ-UHFFFAOYSA-N 0 1 388.439 3.077 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCCCOC(C)C)CC1 ZINC000171002988 1425432174 /nfs/dbraw/zinc/43/21/74/1425432174.db2.gz MUCNPIYBEGRMGM-QGZVFWFLSA-N 0 1 394.535 3.143 20 0 GGADMN CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824135676 1425432514 /nfs/dbraw/zinc/43/25/14/1425432514.db2.gz IVFGMPPKVRPGBQ-FQEVSTJZSA-N 0 1 377.492 3.256 20 0 GGADMN C[C@H](NC(=O)NCc1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171008064 1425433887 /nfs/dbraw/zinc/43/38/87/1425433887.db2.gz XVZJHEIPVYKETH-AWEZNQCLSA-N 0 1 376.501 3.199 20 0 GGADMN CCOCCCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000171015633 1425438020 /nfs/dbraw/zinc/43/80/20/1425438020.db2.gz GIIUGQFLSGBLAP-QGZVFWFLSA-N 0 1 394.535 3.145 20 0 GGADMN COc1cc(NC(=O)CCN(C)Cc2ccccc2F)cc(OC)c1OC ZINC000171029199 1425446354 /nfs/dbraw/zinc/44/63/54/1425446354.db2.gz OQNWFWQIHKYJCI-UHFFFAOYSA-N 0 1 376.428 3.312 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCCO1 ZINC000825980696 1425447379 /nfs/dbraw/zinc/44/73/79/1425447379.db2.gz HASHQLFWWPLAEP-FQEVSTJZSA-N 0 1 379.464 3.057 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NC(C)(C)CCc3ccccc3)cc2[nH]c1=S ZINC000171032643 1425447991 /nfs/dbraw/zinc/44/79/91/1425447991.db2.gz TWTCFEFYBXVLPK-UHFFFAOYSA-N 0 1 381.501 3.363 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171044153 1425452937 /nfs/dbraw/zinc/45/29/37/1425452937.db2.gz SVZAQWHADREJOW-UHFFFAOYSA-N 0 1 375.407 3.377 20 0 GGADMN CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000820876686 1425459714 /nfs/dbraw/zinc/45/97/14/1425459714.db2.gz RXUAJQQBOIGNHP-OAHLLOKOSA-N 0 1 391.479 3.290 20 0 GGADMN COC(=O)[C@H]1CCCN(CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000171060128 1425460802 /nfs/dbraw/zinc/46/08/02/1425460802.db2.gz PMQPENQMJUQYCD-AZUAARDMSA-N 0 1 388.508 3.024 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000171061192 1425461773 /nfs/dbraw/zinc/46/17/73/1425461773.db2.gz OTRXQGFEIQYHPG-KRWDZBQOSA-N 0 1 377.510 3.140 20 0 GGADMN COc1ccc(Br)cc1CN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826186774 1425471581 /nfs/dbraw/zinc/47/15/81/1425471581.db2.gz KEGCDADBWYDEAS-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826186774 1425471587 /nfs/dbraw/zinc/47/15/87/1425471587.db2.gz KEGCDADBWYDEAS-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826186774 1425471591 /nfs/dbraw/zinc/47/15/91/1425471591.db2.gz KEGCDADBWYDEAS-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)c1cccc(F)c1 ZINC000171080353 1425472481 /nfs/dbraw/zinc/47/24/81/1425472481.db2.gz JUQOVUIFUYPKTF-LJQANCHMSA-N 0 1 383.471 3.237 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736481570 1425474193 /nfs/dbraw/zinc/47/41/93/1425474193.db2.gz WOLVJCJEDSJKMR-ATZDWAIDSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736481570 1425474197 /nfs/dbraw/zinc/47/41/97/1425474197.db2.gz WOLVJCJEDSJKMR-ATZDWAIDSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736481570 1425474200 /nfs/dbraw/zinc/47/42/00/1425474200.db2.gz WOLVJCJEDSJKMR-ATZDWAIDSA-N 0 1 380.496 3.145 20 0 GGADMN Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc(-c5nnn[n-]5)o4)C3)n2)c1 ZINC000826376842 1425476613 /nfs/dbraw/zinc/47/66/13/1425476613.db2.gz VDLITNWOLWTJCC-CYBMUJFWSA-N 0 1 395.398 3.028 20 0 GGADMN CN(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000171102247 1425483357 /nfs/dbraw/zinc/48/33/57/1425483357.db2.gz OSKZDJBRDYZUHV-UHFFFAOYSA-N 0 1 383.467 3.135 20 0 GGADMN COCc1cccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000171107173 1425487102 /nfs/dbraw/zinc/48/71/02/1425487102.db2.gz UIBMPSIIQXQJBK-KRWDZBQOSA-N 0 1 394.562 3.085 20 0 GGADMN Cc1nn(C)c2ncc(CN3CCC(c4nc(-c5ccccn5)no4)CC3)cc12 ZINC000171110328 1425487989 /nfs/dbraw/zinc/48/79/89/1425487989.db2.gz RHJLFKDWYAZWPC-UHFFFAOYSA-N 0 1 389.463 3.101 20 0 GGADMN C[C@H](CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)NC(=O)OC(C)(C)C ZINC000824402307 1425488331 /nfs/dbraw/zinc/48/83/31/1425488331.db2.gz VOBLNUKGSOFTFC-DYVFJYSZSA-N 0 1 386.500 3.137 20 0 GGADMN O=C(Nc1nc2c(s1)COCC2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000171111443 1425488873 /nfs/dbraw/zinc/48/88/73/1425488873.db2.gz LPQZTLMRKIHSOV-AWEZNQCLSA-N 0 1 375.469 3.206 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000819877705 1425490976 /nfs/dbraw/zinc/49/09/76/1425490976.db2.gz ZYYJHGRTWYECLS-JZXOWHBKSA-N 0 1 390.491 3.147 20 0 GGADMN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000171121839 1425493176 /nfs/dbraw/zinc/49/31/76/1425493176.db2.gz LMJVGSXCUZFLEI-UHFFFAOYSA-N 0 1 390.531 3.196 20 0 GGADMN CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000171124437 1425493747 /nfs/dbraw/zinc/49/37/47/1425493747.db2.gz QEHBESYOCIWTCS-INIZCTEOSA-N 0 1 398.532 3.395 20 0 GGADMN CCN(Cc1cccs1)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000171124440 1425493772 /nfs/dbraw/zinc/49/37/72/1425493772.db2.gz QEHBESYOCIWTCS-MRXNPFEDSA-N 0 1 398.532 3.395 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccccc2N2CCCCC2)c1 ZINC000171136393 1425500350 /nfs/dbraw/zinc/50/03/50/1425500350.db2.gz VXFOYBSJZBEKJM-QGZVFWFLSA-N 0 1 387.549 3.436 20 0 GGADMN COc1ccc(-c2nc(CN3CCC[C@H](C4OCCO4)C3)cs2)cc1OC ZINC000171139941 1425503499 /nfs/dbraw/zinc/50/34/99/1425503499.db2.gz MOOWYTULAMOAKR-HNNXBMFYSA-N 0 1 390.505 3.412 20 0 GGADMN O=C(CN1CCC[C@H](C2OCCO2)C1)NCC1(c2ccccc2)CCCCC1 ZINC000171141056 1425504254 /nfs/dbraw/zinc/50/42/54/1425504254.db2.gz YBGZOQKKLRYJHV-IBGZPJMESA-N 0 1 386.536 3.090 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233976 1425504802 /nfs/dbraw/zinc/50/48/02/1425504802.db2.gz ZCLRLVUGTPRGIY-INIZCTEOSA-N 0 1 380.452 3.161 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233976 1425504808 /nfs/dbraw/zinc/50/48/08/1425504808.db2.gz ZCLRLVUGTPRGIY-INIZCTEOSA-N 0 1 380.452 3.161 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420935 1425505741 /nfs/dbraw/zinc/50/57/41/1425505741.db2.gz YFUVPNGOECWQDQ-CYBMUJFWSA-N 0 1 384.434 3.465 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](C2OCCO2)C1 ZINC000171144181 1425506562 /nfs/dbraw/zinc/50/65/62/1425506562.db2.gz LWGSWEMBURVMEL-CQSZACIVSA-N 0 1 387.307 3.037 20 0 GGADMN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(CCCCCO)CC1 ZINC000171144645 1425507145 /nfs/dbraw/zinc/50/71/45/1425507145.db2.gz MYVVRDAYZUPALQ-UHFFFAOYSA-N 0 1 382.504 3.186 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](C2OCCO2)C1)c1ccc(Cl)c(Cl)c1 ZINC000171144325 1425507582 /nfs/dbraw/zinc/50/75/82/1425507582.db2.gz QUDBHJBQAGQJAE-OCCSQVGLSA-N 0 1 387.307 3.256 20 0 GGADMN CC(C)(O)CN1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000171151292 1425510337 /nfs/dbraw/zinc/51/03/37/1425510337.db2.gz JQCYDERSRYWCTH-UHFFFAOYSA-N 0 1 395.956 3.264 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(C)(C)O)CC1 ZINC000171155224 1425513342 /nfs/dbraw/zinc/51/33/42/1425513342.db2.gz ZWECARJYROBELO-GOSISDBHSA-N 0 1 381.520 3.069 20 0 GGADMN CC(C)CCOc1ccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)cc1 ZINC000171156484 1425514357 /nfs/dbraw/zinc/51/43/57/1425514357.db2.gz PPXPLNOXSFCVAE-MRXNPFEDSA-N 0 1 393.509 3.145 20 0 GGADMN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2ccccc2)cc1OC ZINC000171155901 1425514535 /nfs/dbraw/zinc/51/45/35/1425514535.db2.gz PVVQWVMPYRBLNX-UHFFFAOYSA-N 0 1 387.461 3.058 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)N2CCCC2)o1 ZINC000171158425 1425516065 /nfs/dbraw/zinc/51/60/65/1425516065.db2.gz VHBDHTJNQUMMMB-GOSISDBHSA-N 0 1 380.452 3.127 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233006 1425516181 /nfs/dbraw/zinc/51/61/81/1425516181.db2.gz GELHBSOCIGMKFE-PWRODBHTSA-N 0 1 377.492 3.477 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233006 1425516183 /nfs/dbraw/zinc/51/61/83/1425516183.db2.gz GELHBSOCIGMKFE-PWRODBHTSA-N 0 1 377.492 3.477 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233006 1425516190 /nfs/dbraw/zinc/51/61/90/1425516190.db2.gz GELHBSOCIGMKFE-PWRODBHTSA-N 0 1 377.492 3.477 20 0 GGADMN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCN(CC2CC2)CC1 ZINC000171165013 1425521395 /nfs/dbraw/zinc/52/13/95/1425521395.db2.gz KVGKGBAWXKWWNG-UHFFFAOYSA-N 0 1 395.385 3.315 20 0 GGADMN c1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cc(-c2nnn[n-]2)c1 ZINC001139851854 1425521616 /nfs/dbraw/zinc/52/16/16/1425521616.db2.gz JFUZEEFGMFYPMO-IRLDBZIGSA-N 0 1 390.491 3.081 20 0 GGADMN Fc1cccc([C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c2ccccn2)c1 ZINC000826376379 1425532186 /nfs/dbraw/zinc/53/21/86/1425532186.db2.gz BARAERYFPLEMQY-LJQANCHMSA-N 0 1 387.422 3.486 20 0 GGADMN COc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000171194855 1425533389 /nfs/dbraw/zinc/53/33/89/1425533389.db2.gz HJRAOWRWHJHEAH-GOSISDBHSA-N 0 1 379.464 3.413 20 0 GGADMN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000171195397 1425533970 /nfs/dbraw/zinc/53/39/70/1425533970.db2.gz DDOASEWHMZDECW-VQIMIIECSA-N 0 1 382.508 3.368 20 0 GGADMN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000171196317 1425534141 /nfs/dbraw/zinc/53/41/41/1425534141.db2.gz GEDUATOVIPENDD-ZDUSSCGKSA-N 0 1 391.431 3.029 20 0 GGADMN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000171196311 1425534331 /nfs/dbraw/zinc/53/43/31/1425534331.db2.gz GEDUATOVIPENDD-CYBMUJFWSA-N 0 1 391.431 3.029 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cc(N)nc(Cl)c1)N1CCCCC1 ZINC000171198133 1425535916 /nfs/dbraw/zinc/53/59/16/1425535916.db2.gz KQAUEMCJLYWJKU-INIZCTEOSA-N 0 1 388.899 3.283 20 0 GGADMN CC[C@H](Cc1ccccc1)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000171202382 1425537679 /nfs/dbraw/zinc/53/76/79/1425537679.db2.gz HJLXHRGABXIURJ-MRXNPFEDSA-N 0 1 381.501 3.213 20 0 GGADMN CCCCOCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000171204077 1425538546 /nfs/dbraw/zinc/53/85/46/1425538546.db2.gz XSKINLQQHNQQMB-QGZVFWFLSA-N 0 1 394.535 3.145 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)N(C)C)cc1 ZINC000171219509 1425545982 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388.562 3.297 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000822757867 1425677682 /nfs/dbraw/zinc/67/76/82/1425677682.db2.gz GQNFKOXUBZSNLE-SNVBAGLBSA-N 0 1 395.364 3.127 20 0 GGADMN Cc1[nH+]ccn1[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000822477653 1425679703 /nfs/dbraw/zinc/67/97/03/1425679703.db2.gz NOLZHSAISPXQPA-AWEZNQCLSA-N 0 1 394.870 3.415 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908494 1425681986 /nfs/dbraw/zinc/68/19/86/1425681986.db2.gz IORIGPPOEVAXSR-ZDUSSCGKSA-N 0 1 392.529 3.007 20 0 GGADMN O=C(NCCCc1ccccc1)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000171461822 1425689594 /nfs/dbraw/zinc/68/95/94/1425689594.db2.gz QVTRQXJBXSYCEU-LJQANCHMSA-N 0 1 392.459 3.102 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822558090 1425697407 /nfs/dbraw/zinc/69/74/07/1425697407.db2.gz MKJPTLSPFSSRLT-BBRMVZONSA-N 0 1 396.520 3.362 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccccc1 ZINC000171477612 1425698778 /nfs/dbraw/zinc/69/87/78/1425698778.db2.gz IYRNIFKHCLUSKZ-JOCHJYFZSA-N 0 1 379.504 3.118 20 0 GGADMN CCC(CC)N1C[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2)CC1=O ZINC000171480754 1425700625 /nfs/dbraw/zinc/70/06/25/1425700625.db2.gz SRTNSOIWIUUZEI-QGZVFWFLSA-N 0 1 389.565 3.211 20 0 GGADMN O=C(NCC1CC1)[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000171499244 1425705974 /nfs/dbraw/zinc/70/59/74/1425705974.db2.gz FKIFDLHXEAIBFG-OAHLLOKOSA-N 0 1 375.419 3.358 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(OC(F)F)cc3)CC2)c1 ZINC000171504768 1425707497 /nfs/dbraw/zinc/70/74/97/1425707497.db2.gz OOVNJNXYBZLXBZ-UHFFFAOYSA-N 0 1 378.379 3.046 20 0 GGADMN CN(C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)C(=O)OC(C)(C)C ZINC000171522545 1425714437 /nfs/dbraw/zinc/71/44/37/1425714437.db2.gz AGCLCNIDPCKRMW-OAHLLOKOSA-N 0 1 384.480 3.406 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NC1CCSCC1 ZINC000171548743 1425729340 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Cc1cccc(-c2nn(Cc3ccccc3)cc2CN[C@@H](C)CS(C)(=O)=O)c1 ZINC000172122401 1425905125 /nfs/dbraw/zinc/90/51/25/1425905125.db2.gz IAGPLVGSLYNICK-SFHVURJKSA-N 0 1 397.544 3.430 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000172122443 1425905227 /nfs/dbraw/zinc/90/52/27/1425905227.db2.gz SSWCRAAWRVZTJS-KRWDZBQOSA-N 0 1 383.517 3.121 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cnc(C)nc1C(C)C)N1CCCC1 ZINC000172125432 1425906000 /nfs/dbraw/zinc/90/60/00/1425906000.db2.gz ORQRSYQHNFNSSE-LJQANCHMSA-N 0 1 382.508 3.484 20 0 GGADMN Cc1ncc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(C(C)C)n1 ZINC000172129944 1425908132 /nfs/dbraw/zinc/90/81/32/1425908132.db2.gz CZBCCBHEDONMCX-CALCHBBNSA-N 0 1 396.535 3.448 20 0 GGADMN Cc1ncc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(C(C)C)n1 ZINC000172129948 1425908611 /nfs/dbraw/zinc/90/86/11/1425908611.db2.gz CZBCCBHEDONMCX-IAGOWNOFSA-N 0 1 396.535 3.448 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736134974 1425918758 /nfs/dbraw/zinc/91/87/58/1425918758.db2.gz XFTCGVNRTIYBML-QWRGUYRKSA-N 0 1 388.834 3.337 20 0 GGADMN CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824093706 1425930609 /nfs/dbraw/zinc/93/06/09/1425930609.db2.gz KLTVIQIXQOQCDL-UHFFFAOYSA-N 0 1 388.472 3.307 20 0 GGADMN CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824093706 1425930611 /nfs/dbraw/zinc/93/06/11/1425930611.db2.gz KLTVIQIXQOQCDL-UHFFFAOYSA-N 0 1 388.472 3.307 20 0 GGADMN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)o1 ZINC000172177115 1425934707 /nfs/dbraw/zinc/93/47/07/1425934707.db2.gz NGAXIEXYNAIPNP-UHFFFAOYSA-N 0 1 396.428 3.015 20 0 GGADMN CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)C1 ZINC000172176763 1425934740 /nfs/dbraw/zinc/93/47/40/1425934740.db2.gz HVWHIPOEKGLPET-AWEZNQCLSA-N 0 1 393.447 3.432 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000172198349 1425942952 /nfs/dbraw/zinc/94/29/52/1425942952.db2.gz WZSBYZIAKMMLON-UHFFFAOYSA-N 0 1 381.457 3.236 20 0 GGADMN O=C1CCCN1Cc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000172198421 1425942989 /nfs/dbraw/zinc/94/29/89/1425942989.db2.gz NNUNJUFHEBBELN-UHFFFAOYSA-N 0 1 381.457 3.158 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000737647448 1425944228 /nfs/dbraw/zinc/94/42/28/1425944228.db2.gz DMYMSHKEYBGVHS-AWEZNQCLSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000737647448 1425944232 /nfs/dbraw/zinc/94/42/32/1425944232.db2.gz DMYMSHKEYBGVHS-AWEZNQCLSA-N 0 1 387.850 3.131 20 0 GGADMN C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccccc1CN(C)C1CCCCC1 ZINC000172205692 1425947704 /nfs/dbraw/zinc/94/77/04/1425947704.db2.gz PGNOEKXNUQRDPY-OAHLLOKOSA-N 0 1 381.542 3.006 20 0 GGADMN CC(C)(C)c1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735651385 1425948971 /nfs/dbraw/zinc/94/89/71/1425948971.db2.gz SYGLYCKWFDIFSY-UHFFFAOYSA-N 0 1 375.480 3.144 20 0 GGADMN C[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)[N@H+]1CCc2sccc2C1 ZINC000824433484 1425950739 /nfs/dbraw/zinc/95/07/39/1425950739.db2.gz FPNSZIIEKURODA-CYBMUJFWSA-N 0 1 391.504 3.335 20 0 GGADMN Cc1ccccc1C[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1 ZINC000822356001 1425951816 /nfs/dbraw/zinc/95/18/16/1425951816.db2.gz FYAHWGQVKIHUGL-UHFFFAOYSA-N 0 1 387.447 3.390 20 0 GGADMN Cc1ccccc1C[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1 ZINC000822356001 1425951819 /nfs/dbraw/zinc/95/18/19/1425951819.db2.gz FYAHWGQVKIHUGL-UHFFFAOYSA-N 0 1 387.447 3.390 20 0 GGADMN O=C(CCc1cscn1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172230293 1425957023 /nfs/dbraw/zinc/95/70/23/1425957023.db2.gz WLBWWEOLULCIBF-OAHLLOKOSA-N 0 1 383.439 3.485 20 0 GGADMN Cc1cc(C)n(-c2ccc(C(=O)NC3CCN(Cc4cccnc4)CC3)cc2)n1 ZINC000172242854 1425962535 /nfs/dbraw/zinc/96/25/35/1425962535.db2.gz QIWGAHUYYCLYKD-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2cccnc2)CC1 ZINC000172243340 1425962584 /nfs/dbraw/zinc/96/25/84/1425962584.db2.gz WNILYIFOZNCHNV-UHFFFAOYSA-N 0 1 377.410 3.424 20 0 GGADMN CCOc1ccccc1OCCCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172242965 1425962661 /nfs/dbraw/zinc/96/26/61/1425962661.db2.gz RHMBUXAFVBUVPP-UHFFFAOYSA-N 0 1 397.519 3.420 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(C)c(OC)c3C)n2)cc1 ZINC000172242683 1425962759 /nfs/dbraw/zinc/96/27/59/1425962759.db2.gz VBQKRWCZPINCAJ-UHFFFAOYSA-N 0 1 381.436 3.427 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc(C)c(OC)c3C)n[nH]2)cc1 ZINC000172242683 1425962763 /nfs/dbraw/zinc/96/27/63/1425962763.db2.gz VBQKRWCZPINCAJ-UHFFFAOYSA-N 0 1 381.436 3.427 20 0 GGADMN O=C(COc1ccc2ccccc2c1)NC1CCN(Cc2cccnc2)CC1 ZINC000172244632 1425963437 /nfs/dbraw/zinc/96/34/37/1425963437.db2.gz MDTHJSSLHFVFIF-UHFFFAOYSA-N 0 1 375.472 3.394 20 0 GGADMN CCc1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccccc1 ZINC000172243715 1425963550 /nfs/dbraw/zinc/96/35/50/1425963550.db2.gz YXHMPHUOHQCGSY-UHFFFAOYSA-N 0 1 389.503 3.224 20 0 GGADMN COc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)ccc1OC(C)C ZINC000172243401 1425963755 /nfs/dbraw/zinc/96/37/55/1425963755.db2.gz NBGMVRCMFMQWSG-UHFFFAOYSA-N 0 1 383.492 3.272 20 0 GGADMN O=c1c2ccccc2ncn1CCN1CCC(OCCc2ccccc2)CC1 ZINC000172245602 1425964212 /nfs/dbraw/zinc/96/42/12/1425964212.db2.gz FZXDOLFKEDSUPH-UHFFFAOYSA-N 0 1 377.488 3.120 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1 ZINC000172246057 1425964435 /nfs/dbraw/zinc/96/44/35/1425964435.db2.gz JAZPVHMJRQLSMC-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN O=C(COc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000172247422 1425965407 /nfs/dbraw/zinc/96/54/07/1425965407.db2.gz SRTANWJVOGGPNW-UHFFFAOYSA-N 0 1 393.409 3.260 20 0 GGADMN C[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1N1CCCC1 ZINC000821600429 1425970214 /nfs/dbraw/zinc/97/02/14/1425970214.db2.gz MDBUDBVMILFMFJ-UHFFFAOYSA-N 0 1 392.507 3.368 20 0 GGADMN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1N1CCCC1 ZINC000821600429 1425970219 /nfs/dbraw/zinc/97/02/19/1425970219.db2.gz MDBUDBVMILFMFJ-UHFFFAOYSA-N 0 1 392.507 3.368 20 0 GGADMN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1N1CCCC1 ZINC000821600429 1425970224 /nfs/dbraw/zinc/97/02/24/1425970224.db2.gz MDBUDBVMILFMFJ-UHFFFAOYSA-N 0 1 392.507 3.368 20 0 GGADMN Cc1ccc(N2CCCC2)c(C(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000172277509 1425978093 /nfs/dbraw/zinc/97/80/93/1425978093.db2.gz WQUXLZABUUWRFE-UHFFFAOYSA-N 0 1 378.520 3.385 20 0 GGADMN Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ccccc2n1 ZINC000826266364 1425981434 /nfs/dbraw/zinc/98/14/34/1425981434.db2.gz MNUKUBLEILZQOQ-OAQYLSRUSA-N 0 1 386.459 3.297 20 0 GGADMN Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ccccc2n1 ZINC000826266364 1425981438 /nfs/dbraw/zinc/98/14/38/1425981438.db2.gz MNUKUBLEILZQOQ-OAQYLSRUSA-N 0 1 386.459 3.297 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000826169488 1425981759 /nfs/dbraw/zinc/98/17/59/1425981759.db2.gz UODXUEABCNOICB-MRXNPFEDSA-N 0 1 390.447 3.396 20 0 GGADMN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)C1 ZINC000172295490 1425985343 /nfs/dbraw/zinc/98/53/43/1425985343.db2.gz FKPXJROAWAGTCZ-AWEZNQCLSA-N 0 1 377.448 3.212 20 0 GGADMN CCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825267608 1425985793 /nfs/dbraw/zinc/98/57/93/1425985793.db2.gz KWPULVCDPKUVRB-WOJBJXKFSA-N 0 1 381.480 3.430 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)N2CCCC2)cc1 ZINC000172297190 1425985896 /nfs/dbraw/zinc/98/58/96/1425985896.db2.gz RJWHCRZCQOESOH-RXVVDRJESA-N 0 1 397.523 3.144 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)N2CCCC2)cc1 ZINC000172297193 1425986077 /nfs/dbraw/zinc/98/60/77/1425986077.db2.gz RJWHCRZCQOESOH-WIYYLYMNSA-N 0 1 397.523 3.144 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000172299634 1425987094 /nfs/dbraw/zinc/98/70/94/1425987094.db2.gz PGKOZBROSBXXMI-SFHVURJKSA-N 0 1 389.496 3.295 20 0 GGADMN CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921057 1425988159 /nfs/dbraw/zinc/98/81/59/1425988159.db2.gz HDPGCNSFTAMVAG-SCLBCKFNSA-N 0 1 396.520 3.244 20 0 GGADMN O=C(NCCN1CCCC1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000172303867 1425988763 /nfs/dbraw/zinc/98/87/63/1425988763.db2.gz AKIUVDDOMKKXIO-UHFFFAOYSA-N 0 1 387.867 3.283 20 0 GGADMN COCC[S@](=O)Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000172319546 1425995802 /nfs/dbraw/zinc/99/58/02/1425995802.db2.gz FTKNUGHTFDLCBG-MHZLTWQESA-N 0 1 387.461 3.126 20 0 GGADMN CC(C)(C)C[C@@H](O)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000172323090 1425998130 /nfs/dbraw/zinc/99/81/30/1425998130.db2.gz AQZYMKBRNHZDIX-GOSISDBHSA-N 0 1 381.948 3.401 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825068740 1426002285 /nfs/dbraw/zinc/00/22/85/1426002285.db2.gz WDIODPFAEAUWTE-KGLIPLIRSA-N 0 1 396.470 3.385 20 0 GGADMN CCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000825342133 1426003230 /nfs/dbraw/zinc/00/32/30/1426003230.db2.gz NNPGJGUTLVPFLU-HXUWFJFHSA-N 0 1 379.464 3.229 20 0 GGADMN CCCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000825342133 1426003235 /nfs/dbraw/zinc/00/32/35/1426003235.db2.gz NNPGJGUTLVPFLU-HXUWFJFHSA-N 0 1 379.464 3.229 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2nc(C(N)=O)cs2)c1 ZINC000172336881 1426005333 /nfs/dbraw/zinc/00/53/33/1426005333.db2.gz JWLAQKWROFEBRJ-UHFFFAOYSA-N 0 1 380.473 3.126 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000172348169 1426010874 /nfs/dbraw/zinc/01/08/74/1426010874.db2.gz FMLDZVSMSXMESX-HXUWFJFHSA-N 0 1 396.510 3.459 20 0 GGADMN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1cccc(Cl)c1O ZINC000172355307 1426013081 /nfs/dbraw/zinc/01/30/81/1426013081.db2.gz QIVYLZJGFDWLEC-UHFFFAOYSA-N 0 1 384.823 3.071 20 0 GGADMN CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(Cl)c1O ZINC000172355677 1426013267 /nfs/dbraw/zinc/01/32/67/1426013267.db2.gz VNVUWUHDDWJEDJ-MRXNPFEDSA-N 0 1 392.908 3.465 20 0 GGADMN O=C(Cc1ccccc1OC(F)F)NC1CCN(Cc2ccncc2)CC1 ZINC000172375818 1426018738 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3.324 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000172407038 1426028604 /nfs/dbraw/zinc/02/86/04/1426028604.db2.gz PQKMESLVAQOSOQ-WMZOPIPTSA-N 0 1 389.402 3.004 20 0 GGADMN Cc1csc(-c2cccc(C(=O)N3CCN(CC4CCOCC4)CC3)c2)n1 ZINC000172409133 1426029359 /nfs/dbraw/zinc/02/93/59/1426029359.db2.gz YZLZITWLBWFRFO-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN Cc1cccc(OC(F)F)c1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172413834 1426031211 /nfs/dbraw/zinc/03/12/11/1426031211.db2.gz XQCUGGQGOPHVGQ-UHFFFAOYSA-N 0 1 383.439 3.173 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172418496 1426034144 /nfs/dbraw/zinc/03/41/44/1426034144.db2.gz ILPULNCUTFBCKN-INIZCTEOSA-N 0 1 398.469 3.455 20 0 GGADMN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000172428072 1426040770 /nfs/dbraw/zinc/04/07/70/1426040770.db2.gz XVJIUFMYSFQGHX-AZUAARDMSA-N 0 1 388.556 3.187 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H](Nc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)C1 ZINC000737100655 1426042008 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20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000172626870 1426118276 /nfs/dbraw/zinc/11/82/76/1426118276.db2.gz OKWBWTSWUAOTIX-CLYVBNDRSA-N 0 1 384.545 3.302 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000822486780 1426118935 /nfs/dbraw/zinc/11/89/35/1426118935.db2.gz SENHAFDBEWHDKE-UHFFFAOYSA-N 0 1 395.417 3.237 20 0 GGADMN COc1ccc(CN2CC[C@H](NCc3cccc4c3OC(C)(C)C4)C2=O)cc1 ZINC000172630687 1426119164 /nfs/dbraw/zinc/11/91/64/1426119164.db2.gz QAUYTBJAZXJRFL-FQEVSTJZSA-N 0 1 380.488 3.299 20 0 GGADMN C[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820722917 1426121837 /nfs/dbraw/zinc/12/18/37/1426121837.db2.gz RJKIXVFGQUUWAM-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820722917 1426121841 /nfs/dbraw/zinc/12/18/41/1426121841.db2.gz RJKIXVFGQUUWAM-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820722917 1426121845 /nfs/dbraw/zinc/12/18/45/1426121845.db2.gz RJKIXVFGQUUWAM-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000172645331 1426124763 /nfs/dbraw/zinc/12/47/63/1426124763.db2.gz OKZFZGWCSANWQM-UHFFFAOYSA-N 0 1 389.415 3.004 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000172645398 1426125090 /nfs/dbraw/zinc/12/50/90/1426125090.db2.gz MRCRISQNKGVNHX-UHFFFAOYSA-N 0 1 378.461 3.246 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000172645868 1426125106 /nfs/dbraw/zinc/12/51/06/1426125106.db2.gz ZYBRBYJKDBRBDY-UHFFFAOYSA-N 0 1 382.811 3.176 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(CCOc1ccc3c(C)cc(=O)oc3c1)C2 ZINC000172651652 1426128164 /nfs/dbraw/zinc/12/81/64/1426128164.db2.gz APACDEJVMVRCCC-UHFFFAOYSA-N 0 1 392.455 3.497 20 0 GGADMN O=C(NCCN1CCCC1)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000172653407 1426128905 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GGADMN C[C@@H]1Cc2ccccc2CN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000172671448 1426137029 /nfs/dbraw/zinc/13/70/29/1426137029.db2.gz WTYXTLUTWWQTBN-CQSZACIVSA-N 0 1 379.485 3.049 20 0 GGADMN COCc1cccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000172680966 1426140746 /nfs/dbraw/zinc/14/07/46/1426140746.db2.gz ZLAACWJNTCVKCJ-GOSISDBHSA-N 0 1 388.533 3.118 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000172683203 1426141530 /nfs/dbraw/zinc/14/15/30/1426141530.db2.gz MKQLLURRCIAFDD-IBGZPJMESA-N 0 1 387.505 3.051 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000826349392 1426141645 /nfs/dbraw/zinc/14/16/45/1426141645.db2.gz GVECLNONRQPKOL-VIFPVBQESA-N 0 1 392.435 3.113 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H](CCO)c1ccccc1 ZINC000172686707 1426142743 /nfs/dbraw/zinc/14/27/43/1426142743.db2.gz NAIJJIOWWNMYNW-FQEVSTJZSA-N 0 1 396.535 3.035 20 0 GGADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCCN(c2nccs2)CC1 ZINC000172686316 1426142779 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20 0 GGADMN CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297141 1426171467 /nfs/dbraw/zinc/17/14/67/1426171467.db2.gz QVHCKOKDLPITLO-UXHICEINSA-N 0 1 398.461 3.459 20 0 GGADMN Cc1ccc(OC2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1C ZINC000172754652 1426173700 /nfs/dbraw/zinc/17/37/00/1426173700.db2.gz MMHNXMVGZKBZNE-UHFFFAOYSA-N 0 1 385.508 3.011 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1-c1nnn[n-]1 ZINC000826194634 1426175500 /nfs/dbraw/zinc/17/55/00/1426175500.db2.gz RFBCQJQXDBYFLD-HNNXBMFYSA-N 0 1 384.509 3.328 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1-c1nn[n-]n1 ZINC000826194634 1426175507 /nfs/dbraw/zinc/17/55/07/1426175507.db2.gz RFBCQJQXDBYFLD-HNNXBMFYSA-N 0 1 384.509 3.328 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1-c1nn[n-]n1 ZINC000826194634 1426175515 /nfs/dbraw/zinc/17/55/15/1426175515.db2.gz RFBCQJQXDBYFLD-HNNXBMFYSA-N 0 1 384.509 3.328 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000172760602 1426176290 /nfs/dbraw/zinc/17/62/90/1426176290.db2.gz QPSDIYIGMSDYLY-UHFFFAOYSA-N 0 1 396.422 3.313 20 0 GGADMN CCc1nc(CN2CCN(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000172762122 1426177081 /nfs/dbraw/zinc/17/70/81/1426177081.db2.gz DHUXPJXKFWTHCG-MRXNPFEDSA-N 0 1 394.585 3.080 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H]2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738432209 1426177486 /nfs/dbraw/zinc/17/74/86/1426177486.db2.gz DUWPPOISLJUPCK-KRWDZBQOSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738432209 1426177492 /nfs/dbraw/zinc/17/74/92/1426177492.db2.gz DUWPPOISLJUPCK-KRWDZBQOSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738432209 1426177498 /nfs/dbraw/zinc/17/74/98/1426177498.db2.gz DUWPPOISLJUPCK-KRWDZBQOSA-N 0 1 385.475 3.491 20 0 GGADMN COCc1cc(NCc2ccccc2CN(C)Cc2ccco2)n2ncnc2n1 ZINC000172766227 1426178637 /nfs/dbraw/zinc/17/86/37/1426178637.db2.gz IZSOAFWFNGUVTN-UHFFFAOYSA-N 0 1 392.463 3.108 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(-c4ncc[nH]4)c3)c2)CC1 ZINC000172767644 1426179200 /nfs/dbraw/zinc/17/92/00/1426179200.db2.gz ZEPNKMJKLHOQJS-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN C[NH+](C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000736760917 1426187463 /nfs/dbraw/zinc/18/74/63/1426187463.db2.gz RQBPJNQEHGPZLK-AWEZNQCLSA-N 0 1 378.267 3.283 20 0 GGADMN COc1ccc(OC(C)C)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000172786698 1426188100 /nfs/dbraw/zinc/18/81/00/1426188100.db2.gz DUODTHLBBYTXLY-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000172790160 1426189925 /nfs/dbraw/zinc/18/99/25/1426189925.db2.gz XQYXAVHXRVAJPA-LIRRHRJNSA-N 0 1 394.450 3.432 20 0 GGADMN Cn1c(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)nc2cc(F)ccc21 ZINC000172793543 1426191051 /nfs/dbraw/zinc/19/10/51/1426191051.db2.gz OQHYDSYKWGZSAI-NRFANRHFSA-N 0 1 394.494 3.426 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000172802519 1426195435 /nfs/dbraw/zinc/19/54/35/1426195435.db2.gz NOQLXLNNYVMDCZ-UHFFFAOYSA-N 0 1 381.524 3.077 20 0 GGADMN O=S(=O)(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(F)c(F)c(F)c1 ZINC000172810281 1426199386 /nfs/dbraw/zinc/19/93/86/1426199386.db2.gz USIUYGPFPNORSI-CYBMUJFWSA-N 0 1 387.379 3.463 20 0 GGADMN CCN1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000736570367 1426201666 /nfs/dbraw/zinc/20/16/66/1426201666.db2.gz LZHZIILJODHKFM-LJQANCHMSA-N 0 1 392.507 3.020 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(F)cc1OC(F)F ZINC000172830168 1426208274 /nfs/dbraw/zinc/20/82/74/1426208274.db2.gz YQLUXVOGCINLRQ-UHFFFAOYSA-N 0 1 392.337 3.062 20 0 GGADMN CC/C(=C\C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1 ZINC000172836439 1426211638 /nfs/dbraw/zinc/21/16/38/1426211638.db2.gz BZMBOQVJAWGCRB-HMMYKYKNSA-N 0 1 378.520 3.252 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1 ZINC000820116510 1426214896 /nfs/dbraw/zinc/21/48/96/1426214896.db2.gz JPIKVASWDDYWAF-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CC(C)[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC000820116510 1426214899 /nfs/dbraw/zinc/21/48/99/1426214899.db2.gz JPIKVASWDDYWAF-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC000820116510 1426214903 /nfs/dbraw/zinc/21/49/03/1426214903.db2.gz JPIKVASWDDYWAF-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825406405 1426221617 /nfs/dbraw/zinc/22/16/17/1426221617.db2.gz MZOXWJFLMOQEBK-CQSZACIVSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)[C@@H]1C ZINC000172855512 1426222756 /nfs/dbraw/zinc/22/27/56/1426222756.db2.gz HYQNWPGBXYUXKL-CHWSQXEVSA-N 0 1 381.402 3.345 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nnc3ccccc3c2O)CC1 ZINC000172865439 1426228210 /nfs/dbraw/zinc/22/82/10/1426228210.db2.gz MOYUKOKASNRTGR-AWEZNQCLSA-N 0 1 396.878 3.096 20 0 GGADMN Fc1ccc(OCCC[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737657449 1426233872 /nfs/dbraw/zinc/23/38/72/1426233872.db2.gz VQLIOMROXYRNHK-UHFFFAOYSA-N 0 1 397.454 3.318 20 0 GGADMN Cc1ccccc1O[C@@H](C)CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000172886262 1426239308 /nfs/dbraw/zinc/23/93/08/1426239308.db2.gz ZYXFXABXKSAGGT-HNNXBMFYSA-N 0 1 397.500 3.341 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)c(OCC(=O)N(C)C)c1 ZINC000172888679 1426240821 /nfs/dbraw/zinc/24/08/21/1426240821.db2.gz WAKMISMGWCLIAM-UHFFFAOYSA-N 0 1 394.468 3.019 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000172897607 1426244492 /nfs/dbraw/zinc/24/44/92/1426244492.db2.gz NLEATYZDNGLONG-NEPJUHHUSA-N 0 1 382.432 3.046 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826168876 1426249718 /nfs/dbraw/zinc/24/97/18/1426249718.db2.gz BBNQZXFCYJIWTA-HNNXBMFYSA-N 0 1 385.855 3.182 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826168876 1426249726 /nfs/dbraw/zinc/24/97/26/1426249726.db2.gz BBNQZXFCYJIWTA-HNNXBMFYSA-N 0 1 385.855 3.182 20 0 GGADMN C[C@@H]1Cc2ccccc2CN1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000172906387 1426252287 /nfs/dbraw/zinc/25/22/87/1426252287.db2.gz UETUGOAXMVZLOS-GOSISDBHSA-N 0 1 391.515 3.311 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2NCc2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000820759366 1426257663 /nfs/dbraw/zinc/25/76/63/1426257663.db2.gz JYSWNOUBRYNGSF-OKILXGFUSA-N 0 1 384.509 3.150 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000820759366 1426257668 /nfs/dbraw/zinc/25/76/68/1426257668.db2.gz JYSWNOUBRYNGSF-OKILXGFUSA-N 0 1 384.509 3.150 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccccc1Cn1cncn1 ZINC000172919319 1426263680 /nfs/dbraw/zinc/26/36/80/1426263680.db2.gz KQIRJMUNVUXLJP-UHFFFAOYSA-N 0 1 393.516 3.128 20 0 GGADMN FC(F)Oc1ccc([C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826369745 1426263763 /nfs/dbraw/zinc/26/37/63/1426263763.db2.gz PCBQUXPQBPQSLV-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1ccc([C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826369745 1426263765 /nfs/dbraw/zinc/26/37/65/1426263765.db2.gz PCBQUXPQBPQSLV-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1-c1nnn[n-]1 ZINC000822766463 1426265340 /nfs/dbraw/zinc/26/53/40/1426265340.db2.gz JVOOZFXBUNAIOW-LLVKDONJSA-N 0 1 395.364 3.127 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1-c1nn[n-]n1 ZINC000822766463 1426265345 /nfs/dbraw/zinc/26/53/45/1426265345.db2.gz JVOOZFXBUNAIOW-LLVKDONJSA-N 0 1 395.364 3.127 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1-c1nn[n-]n1 ZINC000822766463 1426265350 /nfs/dbraw/zinc/26/53/50/1426265350.db2.gz JVOOZFXBUNAIOW-LLVKDONJSA-N 0 1 395.364 3.127 20 0 GGADMN Cc1cc(C)cc(-c2nn(CN3CC[C@H](CN4CCOCC4)C3)c(=S)o2)c1 ZINC000172934011 1426271426 /nfs/dbraw/zinc/27/14/26/1426271426.db2.gz IBUDOEZGSHQKNH-QGZVFWFLSA-N 0 1 388.537 3.101 20 0 GGADMN Cc1cc(C)cc(-n2ccn(CN3CC[C@@H](CN4CCOCC4)C3)c2=S)c1 ZINC000172934363 1426272697 /nfs/dbraw/zinc/27/26/97/1426272697.db2.gz VSTPMHXAWRRVMT-IBGZPJMESA-N 0 1 386.565 3.237 20 0 GGADMN S=c1oc(-c2ccc(Cl)cc2)nn1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000172935790 1426273274 /nfs/dbraw/zinc/27/32/74/1426273274.db2.gz OHSQULNCGOBTBL-AWEZNQCLSA-N 0 1 394.928 3.138 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000822333177 1426277312 /nfs/dbraw/zinc/27/73/12/1426277312.db2.gz ZODYIHXWPUEYIZ-INIZCTEOSA-N 0 1 377.496 3.178 20 0 GGADMN CC1CCC([NH+]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)CC1 ZINC000820690291 1426278135 /nfs/dbraw/zinc/27/81/35/1426278135.db2.gz JBLHRSCTJSABAH-UHFFFAOYSA-N 0 1 377.496 3.116 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1-n1cncn1 ZINC000172944553 1426278653 /nfs/dbraw/zinc/27/86/53/1426278653.db2.gz VJIQGIVSADTHSG-IBGZPJMESA-N 0 1 379.464 3.126 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000172947655 1426280321 /nfs/dbraw/zinc/28/03/21/1426280321.db2.gz XTBKHUUVBIRXDN-GCJKJVERSA-N 0 1 399.560 3.410 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccs1 ZINC000172947312 1426280335 /nfs/dbraw/zinc/28/03/35/1426280335.db2.gz XUXIKHHNDYOAMC-HZPDHXFCSA-N 0 1 391.924 3.174 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)c1cccs1 ZINC000172947250 1426280361 /nfs/dbraw/zinc/28/03/61/1426280361.db2.gz AHAQZUWKCMDIGN-AWEZNQCLSA-N 0 1 399.472 3.207 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000172947642 1426280493 /nfs/dbraw/zinc/28/04/93/1426280493.db2.gz XTBKHUUVBIRXDN-AVRDEDQJSA-N 0 1 399.560 3.410 20 0 GGADMN CCn1nc(C)c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1Cl ZINC000172953497 1426282295 /nfs/dbraw/zinc/28/22/95/1426282295.db2.gz UUJWELCIYCQUIO-INIZCTEOSA-N 0 1 390.915 3.440 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)[C@H](C)Cc1c(C)nn(C)c1C)N1CCCC1 ZINC000172953539 1426282547 /nfs/dbraw/zinc/28/25/47/1426282547.db2.gz VJRVWVFHAIMRPC-IERDGZPVSA-N 0 1 398.551 3.177 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000172981333 1426291940 /nfs/dbraw/zinc/29/19/40/1426291940.db2.gz DRFMAMYHJKPWJG-FQEVSTJZSA-N 0 1 392.446 3.161 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cnc(-c2ccccn2)s1 ZINC000172981634 1426292720 /nfs/dbraw/zinc/29/27/20/1426292720.db2.gz QEAULLAMAREFTB-UHFFFAOYSA-N 0 1 379.445 3.377 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccnc(OCC(F)(F)F)c1 ZINC000172983976 1426293378 /nfs/dbraw/zinc/29/33/78/1426293378.db2.gz SNKFZDLTUPIERF-UHFFFAOYSA-N 0 1 394.353 3.195 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172985672 1426295429 /nfs/dbraw/zinc/29/54/29/1426295429.db2.gz SENYNAAMBGTITC-UHFFFAOYSA-N 0 1 388.427 3.232 20 0 GGADMN C[C@@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)[C@@H]1C ZINC000172987449 1426296266 /nfs/dbraw/zinc/29/62/66/1426296266.db2.gz HCBGTLBWYXGETB-IAGOWNOFSA-N 0 1 383.492 3.293 20 0 GGADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000172987377 1426296486 /nfs/dbraw/zinc/29/64/86/1426296486.db2.gz RRIWNCPQYWNBIX-UONOGXRCSA-N 0 1 385.430 3.223 20 0 GGADMN O[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000823698369 1426298333 /nfs/dbraw/zinc/29/83/33/1426298333.db2.gz PKEZXKAOXUHOKT-QFBILLFUSA-N 0 1 393.491 3.086 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000822035362 1426303564 /nfs/dbraw/zinc/30/35/64/1426303564.db2.gz UAUNFBHWVHAPSJ-UHFFFAOYSA-N 0 1 376.873 3.008 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000173027004 1426314620 /nfs/dbraw/zinc/31/46/20/1426314620.db2.gz QOVOWUVOMYPXFR-DLBZAZTESA-N 0 1 395.912 3.158 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000173026977 1426314739 /nfs/dbraw/zinc/31/47/39/1426314739.db2.gz QOVOWUVOMYPXFR-IAGOWNOFSA-N 0 1 395.912 3.158 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000173048640 1426322873 /nfs/dbraw/zinc/32/28/73/1426322873.db2.gz UUSQGMOEZISXST-CQSZACIVSA-N 0 1 375.542 3.009 20 0 GGADMN C[C@@]1(C(=O)N2CCN(C3CCCC3)CC2)CCCN(C(=O)c2ccccc2)C1 ZINC000173051567 1426323309 /nfs/dbraw/zinc/32/33/09/1426323309.db2.gz HMFWDCLOHULSCK-HSZRJFAPSA-N 0 1 383.536 3.016 20 0 GGADMN C[C@]1(C(=O)N2CCN(C3CCCC3)CC2)CCCN(C(=O)c2ccccc2)C1 ZINC000173051561 1426323635 /nfs/dbraw/zinc/32/36/35/1426323635.db2.gz HMFWDCLOHULSCK-QHCPKHFHSA-N 0 1 383.536 3.016 20 0 GGADMN C[C@H](C(=O)N1CCCN(C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000173054733 1426324766 /nfs/dbraw/zinc/32/47/66/1426324766.db2.gz ZZWPFZKPMQBTFD-FUHWJXTLSA-N 0 1 375.513 3.053 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@H](C)c1ccccc1Br ZINC000826169657 1426325468 /nfs/dbraw/zinc/32/54/68/1426325468.db2.gz AAGDIIZWCYABMC-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN Cc1cc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)ccc1C(N)=O ZINC000173066038 1426329430 /nfs/dbraw/zinc/32/94/30/1426329430.db2.gz GWQVCEURORPCJS-UHFFFAOYSA-N 0 1 386.358 3.338 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)CCO2)n[nH]1 ZINC000173086396 1426336157 /nfs/dbraw/zinc/33/61/57/1426336157.db2.gz PAJLMKRKAOKLKQ-MGPUTAFESA-N 0 1 392.459 3.148 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CCO2)n[nH]1 ZINC000173085539 1426336369 /nfs/dbraw/zinc/33/63/69/1426336369.db2.gz ZPOOTXIOZLRPAV-IBGZPJMESA-N 0 1 382.464 3.434 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)c3csc(-c4ccc(C)cc4C)n3)CCO2)n[nH]1 ZINC000173087889 1426337077 /nfs/dbraw/zinc/33/70/77/1426337077.db2.gz WKXIHOYEMXSLJD-INIZCTEOSA-N 0 1 383.477 3.067 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)c3csc(-c4ccc(C)cc4C)n3)CCO2)n[nH]1 ZINC000173087894 1426337179 /nfs/dbraw/zinc/33/71/79/1426337179.db2.gz WKXIHOYEMXSLJD-MRXNPFEDSA-N 0 1 383.477 3.067 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)c3c4c(sc3-n3cccc3)CCCC4)CCO2)n[nH]1 ZINC000173092180 1426338962 /nfs/dbraw/zinc/33/89/62/1426338962.db2.gz JXLUNXRWCJPTFZ-HNNXBMFYSA-N 0 1 397.504 3.058 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)CCO2)n[nH]1 ZINC000173097637 1426340716 /nfs/dbraw/zinc/34/07/16/1426340716.db2.gz VEJOSIPBXSEUDH-IPYPFGDCSA-N 0 1 394.397 3.090 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000173103827 1426343322 /nfs/dbraw/zinc/34/33/22/1426343322.db2.gz PWWXBTVCTNBREB-LLVKDONJSA-N 0 1 393.846 3.046 20 0 GGADMN CC(C)Oc1ccc(/C=C/C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000173106389 1426344482 /nfs/dbraw/zinc/34/44/82/1426344482.db2.gz FMIHYUCJSPUXCS-KPKJPENVSA-N 0 1 381.476 3.286 20 0 GGADMN CCc1cccc2c(CC(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c[nH]c21 ZINC000173105786 1426344524 /nfs/dbraw/zinc/34/45/24/1426344524.db2.gz XNCMCEWFXJRQFP-UHFFFAOYSA-N 0 1 378.476 3.072 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000173106581 1426344687 /nfs/dbraw/zinc/34/46/87/1426344687.db2.gz NWDDNHBHMNIVSZ-ZIAGYGMSSA-N 0 1 389.858 3.382 20 0 GGADMN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c2c(n1)onc2C(C)C ZINC000173106730 1426345547 /nfs/dbraw/zinc/34/55/47/1426345547.db2.gz ALVVLCABUCECFW-UHFFFAOYSA-N 0 1 395.463 3.067 20 0 GGADMN CC(C)CN1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000173129378 1426354028 /nfs/dbraw/zinc/35/40/28/1426354028.db2.gz YIEPLKCZURIJMH-UHFFFAOYSA-N 0 1 387.402 3.211 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)N(C)C)c1 ZINC000173131722 1426355353 /nfs/dbraw/zinc/35/53/53/1426355353.db2.gz YWHUIISFRUJSOV-NRFANRHFSA-N 0 1 395.503 3.005 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668326 1426355783 /nfs/dbraw/zinc/35/57/83/1426355783.db2.gz RPYWTGOESSJTTH-KBXCAEBGSA-N 0 1 387.447 3.295 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cn(Cc2cccs2)nn1 ZINC000173132577 1426355812 /nfs/dbraw/zinc/35/58/12/1426355812.db2.gz WLTMMZZDOJKJFU-MRXNPFEDSA-N 0 1 387.534 3.016 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)n2)cc1 ZINC000173135046 1426357699 /nfs/dbraw/zinc/35/76/99/1426357699.db2.gz RXDQXGQGBUKACF-WMZHIEFXSA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)n[nH]2)cc1 ZINC000173135046 1426357704 /nfs/dbraw/zinc/35/77/04/1426357704.db2.gz RXDQXGQGBUKACF-WMZHIEFXSA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@]34CCCc3ccccc34)n2)cc1 ZINC000173135061 1426357955 /nfs/dbraw/zinc/35/79/55/1426357955.db2.gz RXDQXGQGBUKACF-CVDCTZTESA-N 0 1 388.471 3.391 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@]34CCCc3ccccc34)n[nH]2)cc1 ZINC000173135061 1426357965 /nfs/dbraw/zinc/35/79/65/1426357965.db2.gz RXDQXGQGBUKACF-CVDCTZTESA-N 0 1 388.471 3.391 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000173137957 1426360390 /nfs/dbraw/zinc/36/03/90/1426360390.db2.gz OXWLYEWINLJYRF-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824546174 1426364071 /nfs/dbraw/zinc/36/40/71/1426364071.db2.gz GSJRHSZHOCSCAR-ZFWWWQNUSA-N 0 1 384.434 3.465 20 0 GGADMN CCn1nc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1Cl ZINC000173146033 1426364401 /nfs/dbraw/zinc/36/44/01/1426364401.db2.gz LIMKMTYGNLVJQM-UHFFFAOYSA-N 0 1 378.879 3.398 20 0 GGADMN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000173158498 1426370566 /nfs/dbraw/zinc/37/05/66/1426370566.db2.gz LVFGLRGIGPAOSR-UHFFFAOYSA-N 0 1 378.363 3.217 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC(C)(C)C[C@H](C)O)N1CCCCC1 ZINC000173160179 1426370932 /nfs/dbraw/zinc/37/09/32/1426370932.db2.gz JUAJYCYKBDKIHX-HKUYNNGSSA-N 0 1 391.556 3.319 20 0 GGADMN CC(C)OCCN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000173164422 1426373114 /nfs/dbraw/zinc/37/31/14/1426373114.db2.gz XTNFWHSASBIGTD-UHFFFAOYSA-N 0 1 381.520 3.482 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cccc(N[C@@H](C)C(C)C)c3C)C2)CC1 ZINC000173166139 1426373363 /nfs/dbraw/zinc/37/33/63/1426373363.db2.gz IRWSQQHUVNQLJP-VQTJNVASSA-N 0 1 386.584 3.303 20 0 GGADMN CC[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)N1CCCC1=O ZINC000173168462 1426374718 /nfs/dbraw/zinc/37/47/18/1426374718.db2.gz CRJLTBRNQFEVKX-IBGZPJMESA-N 0 1 391.943 3.069 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668460 1426375972 /nfs/dbraw/zinc/37/59/72/1426375972.db2.gz SXYKYAHZKDIEKY-IAQYHMDHSA-N 0 1 386.456 3.089 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820668460 1426375974 /nfs/dbraw/zinc/37/59/74/1426375974.db2.gz SXYKYAHZKDIEKY-IAQYHMDHSA-N 0 1 386.456 3.089 20 0 GGADMN CC(C)OCCN1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000173171082 1426376005 /nfs/dbraw/zinc/37/60/05/1426376005.db2.gz JKBNHCDBMVFPGW-UHFFFAOYSA-N 0 1 381.520 3.482 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2C)c1 ZINC000173173430 1426377487 /nfs/dbraw/zinc/37/74/87/1426377487.db2.gz XGLLZHMGBUDMDS-OAHLLOKOSA-N 0 1 388.489 3.429 20 0 GGADMN CCn1cc(CC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c2ccccc21 ZINC000173176383 1426378509 /nfs/dbraw/zinc/37/85/09/1426378509.db2.gz IJAFELMUKLYZHI-GOSISDBHSA-N 0 1 383.536 3.353 20 0 GGADMN C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C1(N2CCOCC2)CCCC1 ZINC000173177369 1426379109 /nfs/dbraw/zinc/37/91/09/1426379109.db2.gz ZEDXSYURZGIFCT-HNNXBMFYSA-N 0 1 384.442 3.398 20 0 GGADMN CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H](C)c1cccc(O)c1 ZINC000821230752 1426379351 /nfs/dbraw/zinc/37/93/51/1426379351.db2.gz QAPYYSHUSFSNBZ-CYBMUJFWSA-N 0 1 391.435 3.205 20 0 GGADMN C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)C1(N2CCOCC2)CCCC1 ZINC000173184234 1426381726 /nfs/dbraw/zinc/38/17/26/1426381726.db2.gz QVJMROFYKXQJDH-OAHLLOKOSA-N 0 1 389.521 3.095 20 0 GGADMN Cc1cccc2c(CCNC(=O)c3cccc(CN4CCN(C)CC4)c3)c[nH]c21 ZINC000173186886 1426382727 /nfs/dbraw/zinc/38/27/27/1426382727.db2.gz SUZSFVPBWBNXFO-UHFFFAOYSA-N 0 1 390.531 3.196 20 0 GGADMN CC(C)(C)CCN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000173187980 1426383572 /nfs/dbraw/zinc/38/35/72/1426383572.db2.gz BWJADERNLAHBFO-UHFFFAOYSA-N 0 1 392.931 3.064 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821207743 1426389361 /nfs/dbraw/zinc/38/93/61/1426389361.db2.gz UGXNDFOCQCEAQP-AWEZNQCLSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821207743 1426389365 /nfs/dbraw/zinc/38/93/65/1426389365.db2.gz UGXNDFOCQCEAQP-AWEZNQCLSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000821207743 1426389375 /nfs/dbraw/zinc/38/93/75/1426389375.db2.gz UGXNDFOCQCEAQP-AWEZNQCLSA-N 0 1 382.443 3.418 20 0 GGADMN CCc1ccc([C@H](NC(=O)C(F)(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000173200235 1426389614 /nfs/dbraw/zinc/38/96/14/1426389614.db2.gz TUCWJQDKLPCOSA-INIZCTEOSA-N 0 1 385.407 3.420 20 0 GGADMN Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1NC(=O)CC(C)C ZINC000173203893 1426392337 /nfs/dbraw/zinc/39/23/37/1426392337.db2.gz SSELCPACIJIWRG-UHFFFAOYSA-N 0 1 378.436 3.412 20 0 GGADMN C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCO2 ZINC000820426154 1426394110 /nfs/dbraw/zinc/39/41/10/1426394110.db2.gz GNMRLQPOLSNBFX-AWEZNQCLSA-N 0 1 381.505 3.386 20 0 GGADMN COc1ccc(-c2ncc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)s2)cc1 ZINC000173210121 1426395612 /nfs/dbraw/zinc/39/56/12/1426395612.db2.gz IKWOLRBZLSOPTO-HUUCEWRRSA-N 0 1 389.521 3.048 20 0 GGADMN Fc1cccc(C2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)CC2)c1 ZINC000826376890 1426396238 /nfs/dbraw/zinc/39/62/38/1426396238.db2.gz WZQKKBOCFRSLSB-UHFFFAOYSA-N 0 1 375.354 3.386 20 0 GGADMN O=C(Nc1ccccc1Sc1ccccc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173212205 1426396989 /nfs/dbraw/zinc/39/69/89/1426396989.db2.gz JZEQVNUICZLBKM-KRWDZBQOSA-N 0 1 393.512 3.249 20 0 GGADMN Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173212171 1426397000 /nfs/dbraw/zinc/39/70/00/1426397000.db2.gz RCGAVIPVKDXSSQ-INIZCTEOSA-N 0 1 387.549 3.297 20 0 GGADMN O=C(Nc1ccccc1Sc1ccccc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173212220 1426397223 /nfs/dbraw/zinc/39/72/23/1426397223.db2.gz JZEQVNUICZLBKM-QGZVFWFLSA-N 0 1 393.512 3.249 20 0 GGADMN O=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000173215560 1426398862 /nfs/dbraw/zinc/39/88/62/1426398862.db2.gz WPNOVBZZFLLFAQ-HNNXBMFYSA-N 0 1 389.496 3.312 20 0 GGADMN O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173217017 1426399826 /nfs/dbraw/zinc/39/98/26/1426399826.db2.gz CLOMBLKWCGYLHZ-HXUWFJFHSA-N 0 1 397.519 3.057 20 0 GGADMN O=C(Nc1ccccc1Oc1cccc(F)c1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173217220 1426400004 /nfs/dbraw/zinc/40/00/04/1426400004.db2.gz HIYAMKLKVIJMOC-QGZVFWFLSA-N 0 1 395.434 3.029 20 0 GGADMN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173221658 1426403986 /nfs/dbraw/zinc/40/39/86/1426403986.db2.gz FNIXDGDKOJQJQA-GOSISDBHSA-N 0 1 395.434 3.029 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000173221712 1426404130 /nfs/dbraw/zinc/40/41/30/1426404130.db2.gz TUBINOSXNKCOLX-UHFFFAOYSA-N 0 1 392.507 3.091 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735856055 1426405756 /nfs/dbraw/zinc/40/57/56/1426405756.db2.gz AFLXFZJVHFXDMC-UHFFFAOYSA-N 0 1 395.467 3.121 20 0 GGADMN CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735856055 1426405760 /nfs/dbraw/zinc/40/57/60/1426405760.db2.gz AFLXFZJVHFXDMC-UHFFFAOYSA-N 0 1 395.467 3.121 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735856055 1426405766 /nfs/dbraw/zinc/40/57/66/1426405766.db2.gz AFLXFZJVHFXDMC-UHFFFAOYSA-N 0 1 395.467 3.121 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)N(C(C)C)C(C)C)ccc2NC1=O ZINC000173223514 1426406650 /nfs/dbraw/zinc/40/66/50/1426406650.db2.gz SMEMUZVHYZDBTH-VKJFTORMSA-N 0 1 375.513 3.481 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CCN(c4ccccc4)C3=O)ccc2NC1=O ZINC000173223406 1426407279 /nfs/dbraw/zinc/40/72/79/1426407279.db2.gz ATHWQCRNXVDFOW-KYNGSXCRSA-N 0 1 379.460 3.252 20 0 GGADMN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1nnc2ccccc2c1O ZINC000173224308 1426408456 /nfs/dbraw/zinc/40/84/56/1426408456.db2.gz FQTUFYHVDNIXCU-UHFFFAOYSA-N 0 1 397.847 3.271 20 0 GGADMN Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173223980 1426408890 /nfs/dbraw/zinc/40/88/90/1426408890.db2.gz JBPYBMHWLVMGOR-SFHVURJKSA-N 0 1 387.549 3.048 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC000173224180 1426408978 /nfs/dbraw/zinc/40/89/78/1426408978.db2.gz XPFNVLACNQDYDU-UHFFFAOYSA-N 0 1 399.495 3.332 20 0 GGADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825013233 1426411461 /nfs/dbraw/zinc/41/14/61/1426411461.db2.gz NUMGEGXPAAIDFK-KGLIPLIRSA-N 0 1 394.454 3.342 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC000173226354 1426411560 /nfs/dbraw/zinc/41/15/60/1426411560.db2.gz OXFIKQNKUIIWRL-UHFFFAOYSA-N 0 1 385.468 3.086 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc21 ZINC000173231766 1426416737 /nfs/dbraw/zinc/41/67/37/1426416737.db2.gz IAVUBJKBJOONSF-HXUWFJFHSA-N 0 1 392.503 3.382 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3coc(-c4ccccc4)n3)c2)CC1 ZINC000173233784 1426420787 /nfs/dbraw/zinc/42/07/87/1426420787.db2.gz CNJKCQATCZLYOA-UHFFFAOYSA-N 0 1 390.487 3.019 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)C3CCC(c4ccccc4)CC3)cn2)CC1 ZINC000173237161 1426421985 /nfs/dbraw/zinc/42/19/85/1426421985.db2.gz SXBGXBXEWKUMSL-UHFFFAOYSA-N 0 1 392.547 3.424 20 0 GGADMN COc1ccccc1OCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826220533 1426422183 /nfs/dbraw/zinc/42/21/83/1426422183.db2.gz QTRIMJATFHCFSQ-GOSISDBHSA-N 0 1 379.464 3.311 20 0 GGADMN COc1ccc([C@H](C)CCNC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000173239547 1426423549 /nfs/dbraw/zinc/42/35/49/1426423549.db2.gz BDRZNIYHQBNNTL-LJQANCHMSA-N 0 1 395.547 3.366 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000826274237 1426423889 /nfs/dbraw/zinc/42/38/89/1426423889.db2.gz KXHPAVHOYRRFCA-QUCCMNQESA-N 0 1 389.507 3.061 20 0 GGADMN Cc1cccc(-c2ccc(CNC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)cc2)c1 ZINC000173245793 1426426925 /nfs/dbraw/zinc/42/69/25/1426426925.db2.gz ONNZRZHWXGNICF-HXUWFJFHSA-N 0 1 394.563 3.345 20 0 GGADMN CO[C@@H](CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2)C(C)(C)C ZINC000173256621 1426435790 /nfs/dbraw/zinc/43/57/90/1426435790.db2.gz LIVNMRDQOIHCJA-KXBFYZLASA-N 0 1 389.540 3.163 20 0 GGADMN CCC(CC)c1cc(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)on1 ZINC000173263034 1426441634 /nfs/dbraw/zinc/44/16/34/1426441634.db2.gz QDTCZIVQLPCCOX-UHFFFAOYSA-N 0 1 384.524 3.256 20 0 GGADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(Br)c1 ZINC000820275031 1426448628 /nfs/dbraw/zinc/44/86/28/1426448628.db2.gz MPXQFDVJYJUUHE-GFCCVEGCSA-N 0 1 388.269 3.186 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCC1 ZINC000820893835 1426460624 /nfs/dbraw/zinc/46/06/24/1426460624.db2.gz WWPUBXLNVOYPJS-HNAYVOBHSA-N 0 1 399.543 3.128 20 0 GGADMN C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@@H]1c1ccccc1 ZINC000173283705 1426461167 /nfs/dbraw/zinc/46/11/67/1426461167.db2.gz MZCPSQWQTDKDGY-UNMCSNQZSA-N 0 1 392.547 3.246 20 0 GGADMN COC(=O)c1ccc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc32)cc1 ZINC000736948472 1426464786 /nfs/dbraw/zinc/46/47/86/1426464786.db2.gz VWMKHOBKGMVNPQ-UHFFFAOYSA-N 0 1 388.431 3.146 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173297305 1426478423 /nfs/dbraw/zinc/47/84/23/1426478423.db2.gz WICSXIZNXTVMKQ-HUUCEWRRSA-N 0 1 390.505 3.120 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000173300376 1426481495 /nfs/dbraw/zinc/48/14/95/1426481495.db2.gz ONHVQGCSHXHPSV-UONOGXRCSA-N 0 1 380.485 3.496 20 0 GGADMN Cc1cc[nH+]c(NC[C@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)c1 ZINC000737438009 1426481598 /nfs/dbraw/zinc/48/15/98/1426481598.db2.gz XHQGIPPKAVSVBX-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccn(Cc3ccncc3)n2)N2CCCC2)o1 ZINC000173301449 1426482831 /nfs/dbraw/zinc/48/28/31/1426482831.db2.gz DDIBMIKGLXMZPR-SFHVURJKSA-N 0 1 394.479 3.186 20 0 GGADMN C[C@H](NCc1ccc(Cn2cccn2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173302129 1426483597 /nfs/dbraw/zinc/48/35/97/1426483597.db2.gz CSVWYOHOWSTJCF-KRWDZBQOSA-N 0 1 398.532 3.033 20 0 GGADMN CCOCc1ccccc1CN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173306074 1426487317 /nfs/dbraw/zinc/48/73/17/1426487317.db2.gz QXEYEYJJVHXATF-INIZCTEOSA-N 0 1 376.522 3.324 20 0 GGADMN c1ccc2nc(NCC[NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc2c1 ZINC000826524053 1426496610 /nfs/dbraw/zinc/49/66/10/1426496610.db2.gz HOLRXMPNNMHTFT-FQEVSTJZSA-N 0 1 385.475 3.494 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826219968 1426500121 /nfs/dbraw/zinc/50/01/21/1426500121.db2.gz XOUUQQPYCDZGPC-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000826219968 1426500123 /nfs/dbraw/zinc/50/01/23/1426500123.db2.gz XOUUQQPYCDZGPC-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000826219968 1426500129 /nfs/dbraw/zinc/50/01/29/1426500129.db2.gz XOUUQQPYCDZGPC-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN Cc1cc(C)n([C@@H]2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)C2)n1 ZINC000822197868 1426500222 /nfs/dbraw/zinc/50/02/22/1426500222.db2.gz SFOQFUGJNVIGET-MRXNPFEDSA-N 0 1 388.479 3.378 20 0 GGADMN COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826098725 1426505210 /nfs/dbraw/zinc/50/52/10/1426505210.db2.gz MZRPRVGZXWIYPR-QGZVFWFLSA-N 0 1 383.427 3.036 20 0 GGADMN CC(C)C1CCN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000173327781 1426509480 /nfs/dbraw/zinc/50/94/80/1426509480.db2.gz YGEHPEPUFBNBMA-UHFFFAOYSA-N 0 1 389.565 3.069 20 0 GGADMN C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585320 1426509893 /nfs/dbraw/zinc/50/98/93/1426509893.db2.gz PVZNSPSOJSIUPU-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(F)cc3OC(F)F)c2)CC1 ZINC000173335439 1426516218 /nfs/dbraw/zinc/51/62/18/1426516218.db2.gz JJCQXVYEADWLOL-UHFFFAOYSA-N 0 1 393.409 3.427 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1)OCC(F)(F)F ZINC000173341586 1426520994 /nfs/dbraw/zinc/52/09/94/1426520994.db2.gz LKFFVZLOOBWYIN-UHFFFAOYSA-N 0 1 399.413 3.498 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCC(C)(C)C[C@H](C)O)N2CCCCC2)cc1 ZINC000173358015 1426532597 /nfs/dbraw/zinc/53/25/97/1426532597.db2.gz WXPFSYCLKGBYQV-FXAWDEMLSA-N 0 1 391.556 3.319 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736446583 1426532617 /nfs/dbraw/zinc/53/26/17/1426532617.db2.gz JMBCVTBOJAHJRU-APWZRJJASA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446583 1426532621 /nfs/dbraw/zinc/53/26/21/1426532621.db2.gz JMBCVTBOJAHJRU-APWZRJJASA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446583 1426532625 /nfs/dbraw/zinc/53/26/25/1426532625.db2.gz JMBCVTBOJAHJRU-APWZRJJASA-N 0 1 384.528 3.336 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2c(C)nn(C)c2C)N2CCCCC2)cc1 ZINC000173358298 1426532710 /nfs/dbraw/zinc/53/27/10/1426532710.db2.gz WTJFOVDDJFWUNM-NRFANRHFSA-N 0 1 399.539 3.072 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCC(C)(C)C[C@@H](C)O)N2CCCCC2)cc1 ZINC000173358026 1426532824 /nfs/dbraw/zinc/53/28/24/1426532824.db2.gz WXPFSYCLKGBYQV-YLJYHZDGSA-N 0 1 391.556 3.319 20 0 GGADMN Cc1c(CSC(C)C)cccc1NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000173360572 1426533945 /nfs/dbraw/zinc/53/39/45/1426533945.db2.gz TVXRFHINLZONEG-UHFFFAOYSA-N 0 1 384.509 3.378 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2Cc3ccccc3C[C@@H]2C)N(C)C)cc1OC ZINC000173363962 1426537016 /nfs/dbraw/zinc/53/70/16/1426537016.db2.gz GROJRHZUMMNNPD-OXJNMPFZSA-N 0 1 397.519 3.463 20 0 GGADMN CC[C@H](NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C)c1ccncc1 ZINC000173363654 1426537263 /nfs/dbraw/zinc/53/72/63/1426537263.db2.gz ZKKCPZODCZBVEZ-ZWKOTPCHSA-N 0 1 386.496 3.152 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000821610972 1426539058 /nfs/dbraw/zinc/53/90/58/1426539058.db2.gz MFRJJNZVHRYYDF-LJQANCHMSA-N 0 1 395.417 3.100 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000821610972 1426539061 /nfs/dbraw/zinc/53/90/61/1426539061.db2.gz MFRJJNZVHRYYDF-LJQANCHMSA-N 0 1 395.417 3.100 20 0 GGADMN C[C@H](CNC(=O)c1cccc(CN2CCN(C)CC2)c1)Sc1ccccc1 ZINC000173365648 1426539684 /nfs/dbraw/zinc/53/96/84/1426539684.db2.gz DLOZJISVTNCEGL-GOSISDBHSA-N 0 1 383.561 3.345 20 0 GGADMN O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737875628 1426539712 /nfs/dbraw/zinc/53/97/12/1426539712.db2.gz FDZLAGPJMMVVGB-LJQANCHMSA-N 0 1 386.887 3.281 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173378365 1426551594 /nfs/dbraw/zinc/55/15/94/1426551594.db2.gz ZLQOLQUFCCLVSE-KBPBESRZSA-N 0 1 378.494 3.024 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547903 1426554495 /nfs/dbraw/zinc/55/44/95/1426554495.db2.gz UEYRPWRZAYIBIF-XJKSGUPXSA-N 0 1 384.434 3.465 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cnccc2-c2nn[n-]n2)C1 ZINC000824874575 1426571088 /nfs/dbraw/zinc/57/10/88/1426571088.db2.gz DXWWSDULXDKKML-HOTGVXAUSA-N 0 1 377.496 3.352 20 0 GGADMN CCOc1ccc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000173398088 1426580038 /nfs/dbraw/zinc/58/00/38/1426580038.db2.gz DWHVEKMCWSZAGH-CQSZACIVSA-N 0 1 380.485 3.326 20 0 GGADMN CCc1cnc(CNC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)s1 ZINC000173401584 1426584514 /nfs/dbraw/zinc/58/45/14/1426584514.db2.gz LIJUWOKNESOOJI-KRWDZBQOSA-N 0 1 388.537 3.350 20 0 GGADMN COc1cc(NC(=O)CCN2CCOC[C@H]2CC(C)C)c(OC)cc1Cl ZINC000173402120 1426585288 /nfs/dbraw/zinc/58/52/88/1426585288.db2.gz FGRAHCOVBKGRFQ-CQSZACIVSA-N 0 1 384.904 3.433 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)CCc1cccn1C)N1CCCC1 ZINC000173401895 1426585414 /nfs/dbraw/zinc/58/54/14/1426585414.db2.gz PNOGLAQSBBEQAG-GHTZIAJQSA-N 0 1 398.551 3.491 20 0 GGADMN C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626054 1426585631 /nfs/dbraw/zinc/58/56/31/1426585631.db2.gz LLWOERIYJGZUNC-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(-n3cncn3)cc2C)N2CCCC2)o1 ZINC000173407005 1426589947 /nfs/dbraw/zinc/58/99/47/1426589947.db2.gz LEVXVJMNQXVTRQ-LJQANCHMSA-N 0 1 379.464 3.044 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)c1cccc(F)c1 ZINC000173406434 1426590422 /nfs/dbraw/zinc/59/04/22/1426590422.db2.gz CWVXLQDGNKDFCZ-OAQYLSRUSA-N 0 1 382.483 3.304 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(-n3cncn3)c(C)c2)N2CCCC2)o1 ZINC000173406657 1426590745 /nfs/dbraw/zinc/59/07/45/1426590745.db2.gz VTPCXLMNWLSCJX-LJQANCHMSA-N 0 1 379.464 3.044 20 0 GGADMN CO[C@@H](CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1 ZINC000173408058 1426591590 /nfs/dbraw/zinc/59/15/90/1426591590.db2.gz MGGYDAFBGIRKKU-OALUTQOASA-N 0 1 377.435 3.254 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000173407760 1426591632 /nfs/dbraw/zinc/59/16/32/1426591632.db2.gz WNCDKIHFOOGNNU-MAUKXSAKSA-N 0 1 389.471 3.204 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@H](C)Oc2ccccc2F)N(C)C)c1 ZINC000173409765 1426593285 /nfs/dbraw/zinc/59/32/85/1426593285.db2.gz XUKLLTDSWYXSFG-HNAYVOBHSA-N 0 1 389.471 3.204 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)N(C)C)c1 ZINC000173411078 1426594301 /nfs/dbraw/zinc/59/43/01/1426594301.db2.gz YQDVMQGZJQMLDA-CJNGLKHVSA-N 0 1 389.500 3.039 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@H](OC)c2ccc(F)cc2)N(C)C)c1 ZINC000173410805 1426594643 /nfs/dbraw/zinc/59/46/43/1426594643.db2.gz DHQQAADNZFAVQT-UXHICEINSA-N 0 1 389.471 3.124 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)N(C)C)c1 ZINC000173411089 1426594705 /nfs/dbraw/zinc/59/47/05/1426594705.db2.gz YQDVMQGZJQMLDA-XJKSGUPXSA-N 0 1 389.500 3.039 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C(C)C)c1 ZINC000173413142 1426596718 /nfs/dbraw/zinc/59/67/18/1426596718.db2.gz YPMRWIHGOMROPQ-NRFANRHFSA-N 0 1 383.492 3.103 20 0 GGADMN CN(Cc1nccs1)c1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000821618252 1426606709 /nfs/dbraw/zinc/60/67/09/1426606709.db2.gz XOQLXTYPZVIFKW-UHFFFAOYSA-N 0 1 389.391 3.109 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCCNC(C)(C)c2nc(C)cs2)cc1 ZINC000173429758 1426610568 /nfs/dbraw/zinc/61/05/68/1426610568.db2.gz MPZBGTKQJQGICD-UHFFFAOYSA-N 0 1 395.550 3.099 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173438722 1426619575 /nfs/dbraw/zinc/61/95/75/1426619575.db2.gz CMAMZVRZLPZGIR-ZWKOTPCHSA-N 0 1 383.536 3.077 20 0 GGADMN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173439092 1426619797 /nfs/dbraw/zinc/61/97/97/1426619797.db2.gz SAQWDBGQVSMWTA-UZLBHIALSA-N 0 1 376.522 3.101 20 0 GGADMN CCOc1cc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1OC ZINC000825615579 1426620678 /nfs/dbraw/zinc/62/06/78/1426620678.db2.gz BGZJJPIVOLUWGC-SFHVURJKSA-N 0 1 379.464 3.441 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173441614 1426621607 /nfs/dbraw/zinc/62/16/07/1426621607.db2.gz ZNWYILQEACENRJ-RTBURBONSA-N 0 1 397.563 3.467 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173441627 1426621812 /nfs/dbraw/zinc/62/18/12/1426621812.db2.gz ZNWYILQEACENRJ-RBUKOAKNSA-N 0 1 397.563 3.467 20 0 GGADMN O=C(Nc1ccc2c(c1)CC(=O)N2)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000173451575 1426629049 /nfs/dbraw/zinc/62/90/49/1426629049.db2.gz BRGCGYSCYBHYCG-UHFFFAOYSA-N 0 1 384.342 3.425 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@H](c2ccccc2)CO1 ZINC000173463374 1426637835 /nfs/dbraw/zinc/63/78/35/1426637835.db2.gz KVDHVOLWGJWZEG-XXBNENTESA-N 0 1 393.531 3.036 20 0 GGADMN CC(C)[NH+]1CCN(c2cccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)c2)CC1 ZINC000824300487 1426638257 /nfs/dbraw/zinc/63/82/57/1426638257.db2.gz IBUHYTCGLYWEAT-UHFFFAOYSA-N 0 1 398.902 3.189 20 0 GGADMN Cn1ccc(N2CCC[C@H](N3CCC(c4c[nH]c5ccccc54)CC3)C2=O)n1 ZINC000173469805 1426643815 /nfs/dbraw/zinc/64/38/15/1426643815.db2.gz GHJHXNXXYPIGTQ-FQEVSTJZSA-N 0 1 377.492 3.276 20 0 GGADMN CCCn1ccc2ccc(NC(=O)N3CC[C@@H](N4CCN(CC)CC4)C3)cc21 ZINC000173472689 1426647577 /nfs/dbraw/zinc/64/75/77/1426647577.db2.gz SYFHQPKFVZMXDV-HXUWFJFHSA-N 0 1 383.540 3.295 20 0 GGADMN COCc1cccc(CNC(=O)CN2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000173475860 1426650939 /nfs/dbraw/zinc/65/09/39/1426650939.db2.gz YIBGYTAALACDDJ-QFIPXVFZSA-N 0 1 381.520 3.352 20 0 GGADMN COCc1ccccc1CNC(=O)CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000173476869 1426651741 /nfs/dbraw/zinc/65/17/41/1426651741.db2.gz WVNATLUSFJPSRT-QFIPXVFZSA-N 0 1 381.520 3.352 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736371195 1426654634 /nfs/dbraw/zinc/65/46/34/1426654634.db2.gz PHAWIPPIGNJALN-DIFFPNOSSA-N 0 1 386.406 3.213 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824103429 1426661433 /nfs/dbraw/zinc/66/14/33/1426661433.db2.gz ABLVMMPDWNYPSP-QGZVFWFLSA-N 0 1 398.511 3.235 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824770869 1426666752 /nfs/dbraw/zinc/66/67/52/1426666752.db2.gz NKAGELBWDGXXAD-PWSUYJOCSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@H]1C[NH+](Cc2ccccc2NCc2cc(-c3nnn[n-]3)cs2)C[C@H](C)O1 ZINC000820760929 1426667292 /nfs/dbraw/zinc/66/72/92/1426667292.db2.gz TZUCGAVCZZRSBB-KBPBESRZSA-N 0 1 384.509 3.150 20 0 GGADMN CC[C@@](C)(NC[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1nccs1 ZINC000173499420 1426669078 /nfs/dbraw/zinc/66/90/78/1426669078.db2.gz GQCPMNVPFGYKJW-DNVCBOLYSA-N 0 1 378.494 3.009 20 0 GGADMN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547281 1426674065 /nfs/dbraw/zinc/67/40/65/1426674065.db2.gz NRDZQOJTROYHTC-OAHLLOKOSA-N 0 1 380.471 3.321 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@@]4(CCCOC4)C3)c2c1 ZINC000822195403 1426677934 /nfs/dbraw/zinc/67/79/34/1426677934.db2.gz QRJUSIBOGAACLD-OAQYLSRUSA-N 0 1 378.480 3.429 20 0 GGADMN CC(C)Nc1ccc(F)cc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000173509172 1426679054 /nfs/dbraw/zinc/67/90/54/1426679054.db2.gz RZVKTTBTOIXFPA-UHFFFAOYSA-N 0 1 383.427 3.281 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)o1 ZINC000173510339 1426679993 /nfs/dbraw/zinc/67/99/93/1426679993.db2.gz ZBPGEEWMQSSTHO-MSOLQXFVSA-N 0 1 377.460 3.271 20 0 GGADMN Cc1cccc(-n2cc(C(=O)N3CC[C@H](C)N(Cc4ccccc4)CC3)nn2)c1 ZINC000173511042 1426680670 /nfs/dbraw/zinc/68/06/70/1426680670.db2.gz KNDMPORTPDPXEJ-IBGZPJMESA-N 0 1 389.503 3.312 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3C)C2)c(-c2nnn[n-]2)c1C ZINC000822351934 1426682492 /nfs/dbraw/zinc/68/24/92/1426682492.db2.gz RRHOSGPKHHFVHE-OAHLLOKOSA-N 0 1 396.520 3.281 20 0 GGADMN Cc1cccc([C@H]2CCCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)c1C ZINC000173514621 1426685698 /nfs/dbraw/zinc/68/56/98/1426685698.db2.gz FWCXSOKZFVGKOP-QGZVFWFLSA-N 0 1 378.480 3.160 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000173514764 1426685754 /nfs/dbraw/zinc/68/57/54/1426685754.db2.gz YIUZKISWPXRABP-GOSISDBHSA-N 0 1 394.548 3.414 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000173514764 1426685760 /nfs/dbraw/zinc/68/57/60/1426685760.db2.gz YIUZKISWPXRABP-GOSISDBHSA-N 0 1 394.548 3.414 20 0 GGADMN C[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820721788 1426687526 /nfs/dbraw/zinc/68/75/26/1426687526.db2.gz BGXNROQKTPOMIM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000820721788 1426687529 /nfs/dbraw/zinc/68/75/29/1426687529.db2.gz BGXNROQKTPOMIM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820721788 1426687530 /nfs/dbraw/zinc/68/75/30/1426687530.db2.gz BGXNROQKTPOMIM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cccn(C)c1=O)c1ccccc1Cl ZINC000173517407 1426687787 /nfs/dbraw/zinc/68/77/87/1426687787.db2.gz GHOUDPAFXNVEAV-QGZVFWFLSA-N 0 1 376.888 3.243 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000820563731 1426694953 /nfs/dbraw/zinc/69/49/53/1426694953.db2.gz UNZOVGWBCLRLEL-QGTPRVQTSA-N 0 1 398.511 3.402 20 0 GGADMN C[C@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)CCN1Cc1ccccc1 ZINC000173526190 1426700017 /nfs/dbraw/zinc/70/00/17/1426700017.db2.gz UISLYJVGAZBAOM-KRWDZBQOSA-N 0 1 395.532 3.125 20 0 GGADMN COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826099001 1426703640 /nfs/dbraw/zinc/70/36/40/1426703640.db2.gz VONQWTLLHKKUAQ-QGZVFWFLSA-N 0 1 383.427 3.036 20 0 GGADMN CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000173531896 1426707792 /nfs/dbraw/zinc/70/77/92/1426707792.db2.gz DYGPMSUBHKODSI-GOSISDBHSA-N 0 1 393.940 3.161 20 0 GGADMN CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000821164570 1426709298 /nfs/dbraw/zinc/70/92/98/1426709298.db2.gz HYCKZOUFEFOHOP-GFCCVEGCSA-N 0 1 386.431 3.237 20 0 GGADMN CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000821164570 1426709301 /nfs/dbraw/zinc/70/93/01/1426709301.db2.gz HYCKZOUFEFOHOP-GFCCVEGCSA-N 0 1 386.431 3.237 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)C2=O)cc1 ZINC000173537177 1426712799 /nfs/dbraw/zinc/71/27/99/1426712799.db2.gz LURNXRZWRGOONO-SIKLNZKXSA-N 0 1 397.563 3.461 20 0 GGADMN CCNC(=O)c1ccc(C)c(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)c1 ZINC000173539474 1426714414 /nfs/dbraw/zinc/71/44/14/1426714414.db2.gz XMZRQFIHJOSVIE-UHFFFAOYSA-N 0 1 378.432 3.396 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547901 1426718984 /nfs/dbraw/zinc/71/89/84/1426718984.db2.gz UEYRPWRZAYIBIF-CJNGLKHVSA-N 0 1 384.434 3.465 20 0 GGADMN c1ccc(COC[C@H]2CC[N@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000823788293 1426722539 /nfs/dbraw/zinc/72/25/39/1426722539.db2.gz XMIDZTWIRMQDHN-IBGZPJMESA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(COC[C@H]2CC[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000823788293 1426722546 /nfs/dbraw/zinc/72/25/46/1426722546.db2.gz XMIDZTWIRMQDHN-IBGZPJMESA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(COC[C@H]2CC[N@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000823788293 1426722553 /nfs/dbraw/zinc/72/25/53/1426722553.db2.gz XMIDZTWIRMQDHN-IBGZPJMESA-N 0 1 393.491 3.174 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000821702132 1426723533 /nfs/dbraw/zinc/72/35/33/1426723533.db2.gz INAZJSDYZDFTMG-UHFFFAOYSA-N 0 1 381.480 3.255 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000820242180 1426724563 /nfs/dbraw/zinc/72/45/63/1426724563.db2.gz LQVKSPBPTJQNJJ-CQSZACIVSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[N@H+](C)Cc1ccccc1 ZINC000820242180 1426724567 /nfs/dbraw/zinc/72/45/67/1426724567.db2.gz LQVKSPBPTJQNJJ-CQSZACIVSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@H](CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[N@@H+](C)Cc1ccccc1 ZINC000820242180 1426724571 /nfs/dbraw/zinc/72/45/71/1426724571.db2.gz LQVKSPBPTJQNJJ-CQSZACIVSA-N 0 1 397.458 3.038 20 0 GGADMN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nnc3ccccc3c2O)cc1 ZINC000173554694 1426726861 /nfs/dbraw/zinc/72/68/61/1426726861.db2.gz RWTOELNKCINXAT-GOSISDBHSA-N 0 1 391.471 3.095 20 0 GGADMN O=C(CN1CCC[C@H]2CCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000173555877 1426727757 /nfs/dbraw/zinc/72/77/57/1426727757.db2.gz GHRVLKGIKZKUIO-CJNGLKHVSA-N 0 1 393.413 3.489 20 0 GGADMN O=C(CN1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000173560759 1426730991 /nfs/dbraw/zinc/73/09/91/1426730991.db2.gz JXVOQPIYZOLBOS-JXFKEZNVSA-N 0 1 381.476 3.413 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000737563791 1426746491 /nfs/dbraw/zinc/74/64/91/1426746491.db2.gz QKBUUIOTPPDPBK-AWEZNQCLSA-N 0 1 375.908 3.008 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000173598797 1426766065 /nfs/dbraw/zinc/76/60/65/1426766065.db2.gz QVEMYHWMPMHCAD-FPOVZHCZSA-N 0 1 391.531 3.147 20 0 GGADMN CCC[N@H+](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)CC1CC1 ZINC000821088112 1426772692 /nfs/dbraw/zinc/77/26/92/1426772692.db2.gz JRLBKEZQCXPTJU-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN COc1ccc(CCC(=O)N2CCCN(Cc3ccccc3N(C)C)CC2)cc1 ZINC000173609448 1426784090 /nfs/dbraw/zinc/78/40/90/1426784090.db2.gz OIWWKJGHEZLSDK-UHFFFAOYSA-N 0 1 395.547 3.428 20 0 GGADMN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000821777668 1426797098 /nfs/dbraw/zinc/79/70/98/1426797098.db2.gz KVHGYSSAOVZGCR-CHWSQXEVSA-N 0 1 380.452 3.246 20 0 GGADMN Fc1ccc(OCCCCNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000737655730 1426803209 /nfs/dbraw/zinc/80/32/09/1426803209.db2.gz FQVFTQQMJYHYKY-UHFFFAOYSA-N 0 1 378.411 3.247 20 0 GGADMN Cc1ccc(-c2nc(CC[NH2+]Cc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000822214070 1426808001 /nfs/dbraw/zinc/80/80/01/1426808001.db2.gz NWJFXIYWTNMVHN-UHFFFAOYSA-N 0 1 378.411 3.302 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c2)o1 ZINC000173649022 1426809837 /nfs/dbraw/zinc/80/98/37/1426809837.db2.gz AJFNUFQNOFRABQ-UHFFFAOYSA-N 0 1 391.475 3.358 20 0 GGADMN COc1cc(NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)cc(OC)c1 ZINC000173649847 1426810171 /nfs/dbraw/zinc/81/01/71/1426810171.db2.gz DSKHIORLYVXVAB-GOSISDBHSA-N 0 1 384.476 3.181 20 0 GGADMN Cc1cc(N2CCCC2)ccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173649982 1426810240 /nfs/dbraw/zinc/81/02/40/1426810240.db2.gz LVJAUXUZIKWJCV-UHFFFAOYSA-N 0 1 393.535 3.141 20 0 GGADMN COc1ccc(NC(=O)CN2CC[C@H](COCc3ccccc3)C2)cc1OC ZINC000173651681 1426810917 /nfs/dbraw/zinc/81/09/17/1426810917.db2.gz ZBKWLTCFLBLQJZ-SFHVURJKSA-N 0 1 384.476 3.181 20 0 GGADMN O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000173658277 1426812548 /nfs/dbraw/zinc/81/25/48/1426812548.db2.gz CTXCLNOKJIZHNQ-MRXNPFEDSA-N 0 1 385.430 3.368 20 0 GGADMN O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000173658288 1426812759 /nfs/dbraw/zinc/81/27/59/1426812759.db2.gz CTXCLNOKJIZHNQ-INIZCTEOSA-N 0 1 385.430 3.368 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000173660165 1426813149 /nfs/dbraw/zinc/81/31/49/1426813149.db2.gz WHTMBENYIRGZCN-OAQYLSRUSA-N 0 1 397.494 3.441 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000173678380 1426818494 /nfs/dbraw/zinc/81/84/94/1426818494.db2.gz AOEDAKSJEFPMBS-UHFFFAOYSA-N 0 1 397.523 3.332 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1-n1cncn1 ZINC000824261358 1426820636 /nfs/dbraw/zinc/82/06/36/1426820636.db2.gz IUNHLYSXFBMMBY-UHFFFAOYSA-N 0 1 388.479 3.106 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1-n1cncn1 ZINC000824261358 1426820643 /nfs/dbraw/zinc/82/06/43/1426820643.db2.gz IUNHLYSXFBMMBY-UHFFFAOYSA-N 0 1 388.479 3.106 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1-n1cncn1 ZINC000824261358 1426820645 /nfs/dbraw/zinc/82/06/45/1426820645.db2.gz IUNHLYSXFBMMBY-UHFFFAOYSA-N 0 1 388.479 3.106 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000173692199 1426822360 /nfs/dbraw/zinc/82/23/60/1426822360.db2.gz JRLLZXMTJKKXOK-MRXNPFEDSA-N 0 1 395.503 3.089 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000173692184 1426822444 /nfs/dbraw/zinc/82/24/44/1426822444.db2.gz JRLLZXMTJKKXOK-INIZCTEOSA-N 0 1 395.503 3.089 20 0 GGADMN C[C@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824600185 1426825272 /nfs/dbraw/zinc/82/52/72/1426825272.db2.gz XLKUDLSCPFRHTE-LBPRGKRZSA-N 0 1 388.269 3.359 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000173702567 1426825810 /nfs/dbraw/zinc/82/58/10/1426825810.db2.gz YCWJMDOENJWZSE-IBGZPJMESA-N 0 1 396.535 3.161 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173710117 1426828624 /nfs/dbraw/zinc/82/86/24/1426828624.db2.gz RMLOOWJMCARVDE-IBGZPJMESA-N 0 1 385.895 3.402 20 0 GGADMN CC(=O)Nc1cccc(OC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000173712882 1426828987 /nfs/dbraw/zinc/82/89/87/1426828987.db2.gz RFNFBUGCQGHRNB-UHFFFAOYSA-N 0 1 381.476 3.071 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000173715597 1426829707 /nfs/dbraw/zinc/82/97/07/1426829707.db2.gz LICDCCNZAHILGK-QGZVFWFLSA-N 0 1 395.532 3.125 20 0 GGADMN CN(C(=O)c1cn(Cc2cccs2)nn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173716032 1426830158 /nfs/dbraw/zinc/83/01/58/1426830158.db2.gz QEUPLYLTMOSLJL-SFHVURJKSA-N 0 1 395.532 3.125 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)ccc1OC(C)C ZINC000173719098 1426830617 /nfs/dbraw/zinc/83/06/17/1426830617.db2.gz LILPHVSQGWYHKS-LJQANCHMSA-N 0 1 376.545 3.176 20 0 GGADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000173718220 1426830699 /nfs/dbraw/zinc/83/06/99/1426830699.db2.gz JCMWRBBKBKBIFC-UHFFFAOYSA-N 0 1 396.472 3.078 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000173725315 1426831991 /nfs/dbraw/zinc/83/19/91/1426831991.db2.gz SYICEUKTTNYXGF-INIZCTEOSA-N 0 1 389.521 3.042 20 0 GGADMN C[C@H](CNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCN(C)CC1 ZINC000173726099 1426832284 /nfs/dbraw/zinc/83/22/84/1426832284.db2.gz VACCMCOBEIRBRE-CQSZACIVSA-N 0 1 391.437 3.137 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000173730973 1426833545 /nfs/dbraw/zinc/83/35/45/1426833545.db2.gz QTBKGFYYQJDFDR-FQEVSTJZSA-N 0 1 398.503 3.189 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)ccc1OC(C)C ZINC000173732506 1426834192 /nfs/dbraw/zinc/83/41/92/1426834192.db2.gz ZXVIHXNQSPRNHL-GOSISDBHSA-N 0 1 375.513 3.358 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)ccc1OC(C)C ZINC000173732519 1426834297 /nfs/dbraw/zinc/83/42/97/1426834297.db2.gz ZXVIHXNQSPRNHL-SFHVURJKSA-N 0 1 375.513 3.358 20 0 GGADMN CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825494671 1426834853 /nfs/dbraw/zinc/83/48/53/1426834853.db2.gz ZWACVCJKHNKTAS-MAZHCROVSA-N 0 1 393.438 3.275 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000173742350 1426836627 /nfs/dbraw/zinc/83/66/27/1426836627.db2.gz ASUWAEHONFZZGW-UHFFFAOYSA-N 0 1 394.494 3.049 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000173745955 1426837996 /nfs/dbraw/zinc/83/79/96/1426837996.db2.gz POXXHYLSQLCQDX-UHFFFAOYSA-N 0 1 394.519 3.373 20 0 GGADMN COc1cccc(C[N@H+](Cc2ccc(F)cc2-c2nnn[n-]2)C[C@@H]2CCCO2)c1 ZINC000737130927 1426838513 /nfs/dbraw/zinc/83/85/13/1426838513.db2.gz JAUWOQKDIGRTNN-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000173749670 1426839404 /nfs/dbraw/zinc/83/94/04/1426839404.db2.gz QVNVAKZCVXOSTH-IRXDYDNUSA-N 0 1 397.544 3.487 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000173751104 1426839720 /nfs/dbraw/zinc/83/97/20/1426839720.db2.gz XKVSUKTWKXTJSR-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN COc1ccc(-c2ncc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)s2)cc1 ZINC000173750933 1426839884 /nfs/dbraw/zinc/83/98/84/1426839884.db2.gz CCFUJNNTYZDFRJ-UHFFFAOYSA-N 0 1 378.417 3.251 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N(C)CCc1cccs1 ZINC000173754087 1426840905 /nfs/dbraw/zinc/84/09/05/1426840905.db2.gz GDLBDJRHFHSULZ-CYBMUJFWSA-N 0 1 375.494 3.217 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[nH]1 ZINC000173762403 1426843317 /nfs/dbraw/zinc/84/33/17/1426843317.db2.gz MWALIRDKIYALEN-UHFFFAOYSA-N 0 1 388.522 3.444 20 0 GGADMN Cc1nsc(N2CCCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)n1 ZINC000173764123 1426843854 /nfs/dbraw/zinc/84/38/54/1426843854.db2.gz XVWNMJFBOIBIOY-UHFFFAOYSA-N 0 1 384.505 3.282 20 0 GGADMN CCOc1cccc2cc([C@H](C)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)oc21 ZINC000173764956 1426844040 /nfs/dbraw/zinc/84/40/40/1426844040.db2.gz OPVVHJAWDPKATI-GOEBONIOSA-N 0 1 382.464 3.411 20 0 GGADMN Cc1nsc(N2CCCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)n1 ZINC000173765346 1426844548 /nfs/dbraw/zinc/84/45/48/1426844548.db2.gz NJSIOJCWDZPIAP-UHFFFAOYSA-N 0 1 396.516 3.154 20 0 GGADMN C[C@H]1CCC[C@H]([NH+]2CCC(NC3(c4cccc(-c5nnn[n-]5)c4)CC3)CC2)C1 ZINC000824929998 1426845621 /nfs/dbraw/zinc/84/56/21/1426845621.db2.gz ZDMBIMKZRQGZSH-JXFKEZNVSA-N 0 1 380.540 3.489 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)cc1-c1nn[n-]n1 ZINC000826202998 1426846577 /nfs/dbraw/zinc/84/65/77/1426846577.db2.gz VXZHSUROVZTVFP-UHFFFAOYSA-N 0 1 389.406 3.383 20 0 GGADMN Cc1ccc(C[C@H](N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c2ccccn2)cc1 ZINC000173777901 1426848381 /nfs/dbraw/zinc/84/83/81/1426848381.db2.gz BRAPWRYUVICBIO-RTWAWAEBSA-N 0 1 389.503 3.193 20 0 GGADMN Cc1ccc(C[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2=O)c2ccccn2)cc1 ZINC000173777964 1426848538 /nfs/dbraw/zinc/84/85/38/1426848538.db2.gz KEBUDXSYAFIZIR-YADHBBJMSA-N 0 1 389.503 3.193 20 0 GGADMN Cc1cc(-n2cncn2)ccc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000173789458 1426851634 /nfs/dbraw/zinc/85/16/34/1426851634.db2.gz ONUSADZQZDZVNN-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN CC[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000825139151 1426853390 /nfs/dbraw/zinc/85/33/90/1426853390.db2.gz CJHXWULUJJDWJO-KRWDZBQOSA-N 0 1 383.452 3.004 20 0 GGADMN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000173802311 1426855645 /nfs/dbraw/zinc/85/56/45/1426855645.db2.gz WKGZWXUXGNWQSK-YJBOKZPZSA-N 0 1 386.496 3.064 20 0 GGADMN CN(C(=O)CN1CCC[C@@H]2CCC[C@@H]21)c1ccccc1C(=O)NCc1ccco1 ZINC000173814783 1426858792 /nfs/dbraw/zinc/85/87/92/1426858792.db2.gz BICDZLNVSPENGS-PXNSSMCTSA-N 0 1 395.503 3.437 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CCN1Cc1ccccc1 ZINC000173817280 1426859426 /nfs/dbraw/zinc/85/94/26/1426859426.db2.gz ILOQTWPMDHKUGV-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000173817392 1426859579 /nfs/dbraw/zinc/85/95/79/1426859579.db2.gz KQMHXYQIMOBNRD-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN CNC(=O)CC1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 ZINC000173832487 1426863872 /nfs/dbraw/zinc/86/38/72/1426863872.db2.gz KZFGSZLWFFTKLJ-UHFFFAOYSA-N 0 1 393.531 3.307 20 0 GGADMN C[C@@H](NCC(=O)NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000173838814 1426865916 /nfs/dbraw/zinc/86/59/16/1426865916.db2.gz YNTMPXLTNCCASR-MRXNPFEDSA-N 0 1 377.444 3.499 20 0 GGADMN Cc1ccc(N2CCC[C@H](N[C@H](C)c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000173845687 1426868518 /nfs/dbraw/zinc/86/85/18/1426868518.db2.gz ZBLOWRDNBPTFOU-UZLBHIALSA-N 0 1 386.517 3.245 20 0 GGADMN Cc1ccc(N2CCC[C@H](N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000173845666 1426868626 /nfs/dbraw/zinc/86/86/26/1426868626.db2.gz ZBLOWRDNBPTFOU-JXFKEZNVSA-N 0 1 386.517 3.245 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCS[C@H](C(C)C)C2)cc1OC ZINC000173861769 1426874059 /nfs/dbraw/zinc/87/40/59/1426874059.db2.gz GINSBUAJROXFFT-XLIONFOSSA-N 0 1 392.565 3.441 20 0 GGADMN Cc1c(NC(=O)[C@H](C)N2CCC(C(C)C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000173862912 1426874506 /nfs/dbraw/zinc/87/45/06/1426874506.db2.gz JOZNFZHOMQKIGO-KRWDZBQOSA-N 0 1 384.524 3.179 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1 ZINC000173865244 1426875045 /nfs/dbraw/zinc/87/50/45/1426875045.db2.gz OFVACWIEMXFFBS-OLZOCXBDSA-N 0 1 377.510 3.046 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000173866059 1426875295 /nfs/dbraw/zinc/87/52/95/1426875295.db2.gz XNRIFGAGNUSSNP-STQMWFEESA-N 0 1 395.594 3.270 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000173866132 1426875406 /nfs/dbraw/zinc/87/54/06/1426875406.db2.gz XNRIFGAGNUSSNP-CHWSQXEVSA-N 0 1 395.594 3.270 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N(Cc3cccc(F)c3)C3CC3)c2)CC1 ZINC000173868676 1426876185 /nfs/dbraw/zinc/87/61/85/1426876185.db2.gz GRUPBIDVWRACCR-UHFFFAOYSA-N 0 1 381.495 3.378 20 0 GGADMN C[C@@H](c1ccccc1Cl)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173874525 1426877938 /nfs/dbraw/zinc/87/79/38/1426877938.db2.gz UIDVMERRLGBSJS-KRWDZBQOSA-N 0 1 386.927 3.467 20 0 GGADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cn(Cc2cccs2)nn1 ZINC000173882841 1426880680 /nfs/dbraw/zinc/88/06/80/1426880680.db2.gz CBRZRPDTCGBGSS-KRWDZBQOSA-N 0 1 394.460 3.368 20 0 GGADMN Cc1ccc(N2CC[C@@H](NCc3ccccc3CN3CCCC3=O)C2=O)cc1 ZINC000173888113 1426881714 /nfs/dbraw/zinc/88/17/14/1426881714.db2.gz KLBBIODVCOUSGV-OAQYLSRUSA-N 0 1 377.488 3.013 20 0 GGADMN CN(C)c1cccc([C@H]2CCCN2CC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000173898327 1426884642 /nfs/dbraw/zinc/88/46/42/1426884642.db2.gz JMXOLBNCXUMBMV-LJQANCHMSA-N 0 1 381.476 3.299 20 0 GGADMN CN(C)c1cccc([C@@H]2CCCN2CCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000173899714 1426885006 /nfs/dbraw/zinc/88/50/06/1426885006.db2.gz WGCBETUMNRLBIB-NRFANRHFSA-N 0 1 388.533 3.372 20 0 GGADMN CN(C)c1cccc([C@H]2CCCN2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000173901183 1426885650 /nfs/dbraw/zinc/88/56/50/1426885650.db2.gz KKRCWZYUAQUVKN-RTWAWAEBSA-N 0 1 388.533 3.027 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[nH]1 ZINC000173921918 1426893259 /nfs/dbraw/zinc/89/32/59/1426893259.db2.gz GPGPMEFJWYMFQA-UHFFFAOYSA-N 0 1 391.840 3.343 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)n1 ZINC000173921918 1426893267 /nfs/dbraw/zinc/89/32/67/1426893267.db2.gz GPGPMEFJWYMFQA-UHFFFAOYSA-N 0 1 391.840 3.343 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000173945693 1426903275 /nfs/dbraw/zinc/90/32/75/1426903275.db2.gz BLUDOUGVFJZYGT-KXBFYZLASA-N 0 1 392.496 3.134 20 0 GGADMN COc1ccc2[nH]cc(C3=CCN(C(=O)CSc4nnc(C)[nH]4)CC3)c2c1 ZINC000173956343 1426908303 /nfs/dbraw/zinc/90/83/03/1426908303.db2.gz LASXNLWGPWKHGA-UHFFFAOYSA-N 0 1 383.477 3.011 20 0 GGADMN COc1ccc2[nH]cc(C3=CCN(C(=O)CSc4nc(C)n[nH]4)CC3)c2c1 ZINC000173956343 1426908312 /nfs/dbraw/zinc/90/83/12/1426908312.db2.gz LASXNLWGPWKHGA-UHFFFAOYSA-N 0 1 383.477 3.011 20 0 GGADMN CN(Cc1csc2ccccc12)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173968455 1426914786 /nfs/dbraw/zinc/91/47/86/1426914786.db2.gz TWJVCILGBKSYIF-UHFFFAOYSA-N 0 1 394.544 3.467 20 0 GGADMN C[C@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)Oc1ccccc1F ZINC000173970251 1426915660 /nfs/dbraw/zinc/91/56/60/1426915660.db2.gz ZLMUXWDPTLQDFO-NVXWUHKLSA-N 0 1 375.444 3.322 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000737526210 1426915698 /nfs/dbraw/zinc/91/56/98/1426915698.db2.gz YCZZIDSQENHQIW-OAQYLSRUSA-N 0 1 390.495 3.213 20 0 GGADMN C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736301740 1426916861 /nfs/dbraw/zinc/91/68/61/1426916861.db2.gz DNKALRXHBQIRSV-LLVKDONJSA-N 0 1 386.456 3.015 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3NS(C)(=O)=O)[nH]n2)cc1 ZINC000173972842 1426917996 /nfs/dbraw/zinc/91/79/96/1426917996.db2.gz NZSZNMADLIWTQN-UHFFFAOYSA-N 0 1 384.461 3.317 20 0 GGADMN Cc1cccc(OCCNC(=O)CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000173975188 1426920191 /nfs/dbraw/zinc/92/01/91/1426920191.db2.gz SAWCUGXLVRGXFN-OAQYLSRUSA-N 0 1 382.504 3.029 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173980579 1426923385 /nfs/dbraw/zinc/92/33/85/1426923385.db2.gz BALSLFUIUYVJEC-SJORKVTESA-N 0 1 387.480 3.192 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000173980871 1426924587 /nfs/dbraw/zinc/92/45/87/1426924587.db2.gz RYEVUMYDMNSOLM-CABCVRRESA-N 0 1 377.510 3.126 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000173993425 1426930555 /nfs/dbraw/zinc/93/05/55/1426930555.db2.gz ILWZUPQCRDWLBS-GOSISDBHSA-N 0 1 399.560 3.464 20 0 GGADMN COc1cccc(N2CC[C@H]([NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)C2)c1 ZINC000826216495 1426930628 /nfs/dbraw/zinc/93/06/28/1426930628.db2.gz BAKXUMCUWAJRMD-UWJYYQICSA-N 0 1 390.491 3.121 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000173994450 1426931997 /nfs/dbraw/zinc/93/19/97/1426931997.db2.gz GBNWOTJVPDCJDW-JOCHJYFZSA-N 0 1 393.531 3.497 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000173997479 1426934622 /nfs/dbraw/zinc/93/46/22/1426934622.db2.gz LWMJWXMGHJSVML-UHFFFAOYSA-N 0 1 380.492 3.035 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000174009279 1426940599 /nfs/dbraw/zinc/94/05/99/1426940599.db2.gz TZCKAQFXMAADLZ-UHFFFAOYSA-N 0 1 393.487 3.153 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@H](C4CCOCC4)C3)c2c1 ZINC000826263445 1426940913 /nfs/dbraw/zinc/94/09/13/1426940913.db2.gz BTVUBQXWVTVMSB-MRXNPFEDSA-N 0 1 378.480 3.285 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2NC1=O ZINC000825220249 1426941217 /nfs/dbraw/zinc/94/12/17/1426941217.db2.gz RCFAANRVFSZTJG-JCGVRSQUSA-N 0 1 392.463 3.388 20 0 GGADMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cn1)c1ccccc1 ZINC000174009581 1426941521 /nfs/dbraw/zinc/94/15/21/1426941521.db2.gz HOBJDJMEUYDWKT-UHFFFAOYSA-N 0 1 389.383 3.413 20 0 GGADMN c1ccc(CC2CC[NH+](CCCCNc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000738425942 1426942116 /nfs/dbraw/zinc/94/21/16/1426942116.db2.gz CMUCFKLVRDNQDM-UHFFFAOYSA-N 0 1 391.523 3.409 20 0 GGADMN C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821610798 1426942521 /nfs/dbraw/zinc/94/25/21/1426942521.db2.gz FQCBKVXNJLYPCI-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN C[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c2ccc(F)cc2O1 ZINC000174014861 1426944208 /nfs/dbraw/zinc/94/42/08/1426944208.db2.gz TZGQRPPFFMYKAD-GFCCVEGCSA-N 0 1 399.447 3.029 20 0 GGADMN C[C@H]1CCc2ccccc2N1CCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000174018104 1426945726 /nfs/dbraw/zinc/94/57/26/1426945726.db2.gz IGNMEGURMWJCDM-IBGZPJMESA-N 0 1 392.547 3.394 20 0 GGADMN CO[C@]1(C)C[C@@H](N(C)CC(=O)N[C@H](c2nccs2)c2ccccc2)C1(C)C ZINC000174017486 1426946131 /nfs/dbraw/zinc/94/61/31/1426946131.db2.gz AJIKDJJTHZBEEY-PLMTUMEDSA-N 0 1 387.549 3.484 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1 ZINC000174018558 1426946983 /nfs/dbraw/zinc/94/69/83/1426946983.db2.gz SCTCSBZDVHFABK-PGRDOPGGSA-N 0 1 389.540 3.243 20 0 GGADMN Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1C ZINC000826341956 1426948773 /nfs/dbraw/zinc/94/87/73/1426948773.db2.gz UJXQHYXREYRRMP-SECBINFHSA-N 0 1 392.822 3.158 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174022967 1426949865 /nfs/dbraw/zinc/94/98/65/1426949865.db2.gz BKIQFMYSWSZWTD-MRXNPFEDSA-N 0 1 385.483 3.073 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(C)c(C)c4ncccc34)cc12 ZINC000174023376 1426950459 /nfs/dbraw/zinc/95/04/59/1426950459.db2.gz WPXZEZRQIFAPED-UHFFFAOYSA-N 0 1 381.461 3.243 20 0 GGADMN Fc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1F ZINC000826374494 1426950513 /nfs/dbraw/zinc/95/05/13/1426950513.db2.gz AYCCWFLOAIUOTQ-UHFFFAOYSA-N 0 1 386.406 3.020 20 0 GGADMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1 ZINC000174025674 1426951728 /nfs/dbraw/zinc/95/17/28/1426951728.db2.gz TWYRSXSVIKDDOG-UHFFFAOYSA-N 0 1 391.836 3.113 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826297757 1426952749 /nfs/dbraw/zinc/95/27/49/1426952749.db2.gz QUEFAEMYIKOGAZ-WMLDXEAASA-N 0 1 394.479 3.201 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000174029697 1426954283 /nfs/dbraw/zinc/95/42/83/1426954283.db2.gz QLZRPSNMERHXNH-GFCCVEGCSA-N 0 1 383.583 3.128 20 0 GGADMN CCSCC[C@H](C)N(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000174029706 1426954404 /nfs/dbraw/zinc/95/44/04/1426954404.db2.gz QLZRPSNMERHXNH-LBPRGKRZSA-N 0 1 383.583 3.128 20 0 GGADMN COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000174033848 1426956978 /nfs/dbraw/zinc/95/69/78/1426956978.db2.gz BLIGZAWROQXZJY-PMACEKPBSA-N 0 1 395.547 3.201 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000174033848 1426956982 /nfs/dbraw/zinc/95/69/82/1426956982.db2.gz BLIGZAWROQXZJY-PMACEKPBSA-N 0 1 395.547 3.201 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000174033866 1426957157 /nfs/dbraw/zinc/95/71/57/1426957157.db2.gz BLIGZAWROQXZJY-UXHICEINSA-N 0 1 395.547 3.201 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000174033866 1426957163 /nfs/dbraw/zinc/95/71/63/1426957163.db2.gz BLIGZAWROQXZJY-UXHICEINSA-N 0 1 395.547 3.201 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000174035648 1426959342 /nfs/dbraw/zinc/95/93/42/1426959342.db2.gz PTVZACKLRMCXMS-QGZVFWFLSA-N 0 1 395.503 3.324 20 0 GGADMN FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000737632888 1426959389 /nfs/dbraw/zinc/95/93/89/1426959389.db2.gz OFNSKHYAUBLUQJ-UHFFFAOYSA-N 0 1 395.433 3.347 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)CC1 ZINC000174036950 1426959806 /nfs/dbraw/zinc/95/98/06/1426959806.db2.gz ZPPIJVPNKOCJRJ-UHFFFAOYSA-N 0 1 391.874 3.358 20 0 GGADMN CSc1ccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 ZINC000174036861 1426960000 /nfs/dbraw/zinc/96/00/00/1426960000.db2.gz JETYVBPPTZNQMG-UHFFFAOYSA-N 0 1 385.533 3.287 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccccc1F ZINC000174037598 1426960182 /nfs/dbraw/zinc/96/01/82/1426960182.db2.gz AOZSHBJQNDBITF-GOSISDBHSA-N 0 1 376.497 3.109 20 0 GGADMN C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174037518 1426960208 /nfs/dbraw/zinc/96/02/08/1426960208.db2.gz KUWWWAKZUYUTCR-IBGZPJMESA-N 0 1 381.520 3.130 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccnc4ccccc43)cc2)CC1 ZINC000174038184 1426960864 /nfs/dbraw/zinc/96/08/64/1426960864.db2.gz DCDZTIZSPHJZEZ-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174037939 1426960885 /nfs/dbraw/zinc/96/08/85/1426960885.db2.gz NPAMWWWGRVCUHZ-LJQANCHMSA-N 0 1 388.533 3.228 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174037861 1426961010 /nfs/dbraw/zinc/96/10/10/1426961010.db2.gz ILYDJKOKICYSHA-GOSISDBHSA-N 0 1 376.497 3.277 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000174037687 1426961087 /nfs/dbraw/zinc/96/10/87/1426961087.db2.gz YPMHSBBKBZAGKD-LJQANCHMSA-N 0 1 376.497 3.109 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174037919 1426961358 /nfs/dbraw/zinc/96/13/58/1426961358.db2.gz NPAMWWWGRVCUHZ-IBGZPJMESA-N 0 1 388.533 3.228 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C(C)(C)c3cccc(F)c3)cc2)CC1 ZINC000174039213 1426961772 /nfs/dbraw/zinc/96/17/72/1426961772.db2.gz WVFYOUZOWKXUTA-UHFFFAOYSA-N 0 1 399.510 3.368 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc4ncccc4c3)cc2)CC1 ZINC000174040363 1426963400 /nfs/dbraw/zinc/96/34/00/1426963400.db2.gz LITKTTCSOVFDSM-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)CC1 ZINC000174041373 1426964060 /nfs/dbraw/zinc/96/40/60/1426964060.db2.gz SVBYKKKIRLTQOA-UHFFFAOYSA-N 0 1 393.531 3.373 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2)CC1 ZINC000174040575 1426964121 /nfs/dbraw/zinc/96/41/21/1426964121.db2.gz DCMLDJJJUPCZSM-UHFFFAOYSA-N 0 1 378.476 3.046 20 0 GGADMN CCO[C@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000174041858 1426964273 /nfs/dbraw/zinc/96/42/73/1426964273.db2.gz HISLQEZGZGQTEW-QFIPXVFZSA-N 0 1 397.519 3.029 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)cc2OC(F)F)C[C@@H](C)O1 ZINC000174041924 1426964648 /nfs/dbraw/zinc/96/46/48/1426964648.db2.gz XZAVPGKLVYKOAU-VXGBXAGGSA-N 0 1 375.391 3.048 20 0 GGADMN Cc1cnc([C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C2CC2)s1 ZINC000174042337 1426965103 /nfs/dbraw/zinc/96/51/03/1426965103.db2.gz SIZXOCLELFYWJO-LJQANCHMSA-N 0 1 384.549 3.080 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000174044636 1426966922 /nfs/dbraw/zinc/96/69/22/1426966922.db2.gz NFSTVGNPMCBEDF-SECBINFHSA-N 0 1 383.351 3.193 20 0 GGADMN C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000174044624 1426967279 /nfs/dbraw/zinc/96/72/79/1426967279.db2.gz NFSTVGNPMCBEDF-VIFPVBQESA-N 0 1 383.351 3.193 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cn1C ZINC000174045676 1426967849 /nfs/dbraw/zinc/96/78/49/1426967849.db2.gz QDDCWCMOJMJRPA-UHFFFAOYSA-N 0 1 384.457 3.203 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cn1C ZINC000174045860 1426969324 /nfs/dbraw/zinc/96/93/24/1426969324.db2.gz MLNGBKCBRNGVTA-UHFFFAOYSA-N 0 1 391.474 3.044 20 0 GGADMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1 ZINC000174047033 1426970304 /nfs/dbraw/zinc/97/03/04/1426970304.db2.gz TZJIXWATFPJSEG-UHFFFAOYSA-N 0 1 390.505 3.429 20 0 GGADMN COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000174050838 1426973177 /nfs/dbraw/zinc/97/31/77/1426973177.db2.gz JWGAGDVOZIJRCY-GOSISDBHSA-N 0 1 398.503 3.449 20 0 GGADMN CN(C(=O)c1ccccc1SCC(N)=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051344 1426973681 /nfs/dbraw/zinc/97/36/81/1426973681.db2.gz UNZPCNKFBNXKLQ-GOSISDBHSA-N 0 1 397.544 3.001 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000174057963 1426978229 /nfs/dbraw/zinc/97/82/29/1426978229.db2.gz UWEJLVUYYFRPBC-LJQANCHMSA-N 0 1 396.487 3.058 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c2)CC1 ZINC000174077889 1426990523 /nfs/dbraw/zinc/99/05/23/1426990523.db2.gz SLOUJPFBRYQCDM-UHFFFAOYSA-N 0 1 393.466 3.011 20 0 GGADMN CC(C)c1cc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n(C)n1 ZINC000174083261 1426993095 /nfs/dbraw/zinc/99/30/95/1426993095.db2.gz AUTDTLXTILUKHX-IRXDYDNUSA-N 0 1 384.524 3.083 20 0 GGADMN CC(C)c1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n(C)n1 ZINC000174083278 1426993175 /nfs/dbraw/zinc/99/31/75/1426993175.db2.gz AUTDTLXTILUKHX-IAGOWNOFSA-N 0 1 384.524 3.083 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000174086829 1426994596 /nfs/dbraw/zinc/99/45/96/1426994596.db2.gz IRGJTJBAFUHJDC-LJQANCHMSA-N 0 1 394.441 3.108 20 0 GGADMN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)cc21 ZINC000174086083 1426994739 /nfs/dbraw/zinc/99/47/39/1426994739.db2.gz QPPMIBBWYUSHMZ-UHFFFAOYSA-N 0 1 391.406 3.169 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(NC=O)cc1)N1CCCCC1 ZINC000174093304 1426998617 /nfs/dbraw/zinc/99/86/17/1426998617.db2.gz KVHVUJBCRQYHKO-FQEVSTJZSA-N 0 1 381.476 3.221 20 0 GGADMN Cc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cnn1-c1ccccc1 ZINC000174092879 1426998645 /nfs/dbraw/zinc/99/86/45/1426998645.db2.gz CGWVFWFVNZKXOC-UHFFFAOYSA-N 0 1 375.432 3.353 20 0 GGADMN CN(C)[C@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000174093618 1426999283 /nfs/dbraw/zinc/99/92/83/1426999283.db2.gz ZEXSHNJQVHWKIM-GOSISDBHSA-N 0 1 386.471 3.145 20 0 GGADMN C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736859760 1426999963 /nfs/dbraw/zinc/99/99/63/1426999963.db2.gz JALTZZYLKALQJG-SFHVURJKSA-N 0 1 378.436 3.082 20 0 GGADMN C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736859760 1426999968 /nfs/dbraw/zinc/99/99/68/1426999968.db2.gz JALTZZYLKALQJG-SFHVURJKSA-N 0 1 378.436 3.082 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)n(C)n1 ZINC000174094647 1427000321 /nfs/dbraw/zinc/00/03/21/1427000321.db2.gz QRYQOWVVFCZYNK-UHFFFAOYSA-N 0 1 391.456 3.173 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[nH]1 ZINC000174098104 1427001368 /nfs/dbraw/zinc/00/13/68/1427001368.db2.gz NPWDTSADODWHER-UHFFFAOYSA-N 0 1 385.424 3.235 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)n1 ZINC000174098104 1427001381 /nfs/dbraw/zinc/00/13/81/1427001381.db2.gz NPWDTSADODWHER-UHFFFAOYSA-N 0 1 385.424 3.235 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000174101979 1427002618 /nfs/dbraw/zinc/00/26/18/1427002618.db2.gz MQLJJKGITDZRAL-OAHLLOKOSA-N 0 1 392.521 3.312 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000174105097 1427003841 /nfs/dbraw/zinc/00/38/41/1427003841.db2.gz PNXXVYWGONNPPX-GOSISDBHSA-N 0 1 377.916 3.378 20 0 GGADMN COCCOC[C@@H]1CCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000174105971 1427004716 /nfs/dbraw/zinc/00/47/16/1427004716.db2.gz SWVLDFOWWLUGFK-GCJKJVERSA-N 0 1 398.503 3.360 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C12CCC2 ZINC000174118785 1427009885 /nfs/dbraw/zinc/00/98/85/1427009885.db2.gz KUQSWJJDBSLSJD-VQTJNVASSA-N 0 1 389.515 3.437 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000737032764 1427010208 /nfs/dbraw/zinc/01/02/08/1427010208.db2.gz NICBAJLDFXQNPP-KRWDZBQOSA-N 0 1 379.464 3.052 20 0 GGADMN CC(C)C[C@@H](CCO)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000174119328 1427010519 /nfs/dbraw/zinc/01/05/19/1427010519.db2.gz GHZVIULAKBLLIN-GOSISDBHSA-N 0 1 379.520 3.134 20 0 GGADMN CSCC[C@@H]([NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC000826228453 1427011214 /nfs/dbraw/zinc/01/12/14/1427011214.db2.gz PCKRJSIXAKNRLP-CZUORRHYSA-N 0 1 394.508 3.054 20 0 GGADMN COc1ccc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826192655 1427015202 /nfs/dbraw/zinc/01/52/02/1427015202.db2.gz VTDJJNMZARKAPP-LBPRGKRZSA-N 0 1 389.406 3.370 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc(OC)c1 ZINC000174153315 1427023332 /nfs/dbraw/zinc/02/33/32/1427023332.db2.gz BKOQBGQEIZKIDD-UHFFFAOYSA-N 0 1 384.480 3.490 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)CCc1cccs1 ZINC000174155802 1427024012 /nfs/dbraw/zinc/02/40/12/1427024012.db2.gz QZYJVOSXXPCKQB-UHFFFAOYSA-N 0 1 396.560 3.400 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCCCC(C)(C)CO)N1CCCCC1 ZINC000174158511 1427025478 /nfs/dbraw/zinc/02/54/78/1427025478.db2.gz FUBVLUOJQYCVCM-IBGZPJMESA-N 0 1 391.556 3.320 20 0 GGADMN CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1C ZINC000821563791 1427027025 /nfs/dbraw/zinc/02/70/25/1427027025.db2.gz FVZBITRPHOSJFQ-UHFFFAOYSA-N 0 1 380.496 3.398 20 0 GGADMN CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1C ZINC000821563791 1427027028 /nfs/dbraw/zinc/02/70/28/1427027028.db2.gz FVZBITRPHOSJFQ-UHFFFAOYSA-N 0 1 380.496 3.398 20 0 GGADMN Cc1nsc(N2CCCN(Cc3ccccc3OCC(F)(F)F)CC2)n1 ZINC000174163244 1427028013 /nfs/dbraw/zinc/02/80/13/1427028013.db2.gz UPHZVJCQMZZNQX-UHFFFAOYSA-N 0 1 386.443 3.500 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)[nH]1 ZINC000174166535 1427029460 /nfs/dbraw/zinc/02/94/60/1427029460.db2.gz YKHMYQMYUCSVEY-UHFFFAOYSA-N 0 1 387.509 3.106 20 0 GGADMN Cc1nsc(N2CCCN(Cc3cccc(OCC(F)(F)F)c3)CC2)n1 ZINC000174168837 1427030810 /nfs/dbraw/zinc/03/08/10/1427030810.db2.gz RRIQRGBDBVQUIL-UHFFFAOYSA-N 0 1 386.443 3.500 20 0 GGADMN C[C@H](CC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000174171135 1427031945 /nfs/dbraw/zinc/03/19/45/1427031945.db2.gz JRQMWFKTIBSWJD-CVEARBPZSA-N 0 1 384.442 3.380 20 0 GGADMN CC(C)(C)c1ccc(SCC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000174172774 1427032724 /nfs/dbraw/zinc/03/27/24/1427032724.db2.gz QBWAJGPSOATIQO-KRWDZBQOSA-N 0 1 376.566 3.257 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccco1 ZINC000174175441 1427033220 /nfs/dbraw/zinc/03/32/20/1427033220.db2.gz JIBHBCAJYYVXBQ-SFHVURJKSA-N 0 1 399.495 3.404 20 0 GGADMN CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000174183490 1427036391 /nfs/dbraw/zinc/03/63/91/1427036391.db2.gz BXNOXFRFEGZVMU-LJQANCHMSA-N 0 1 388.552 3.180 20 0 GGADMN CCCCOc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174187587 1427039864 /nfs/dbraw/zinc/03/98/64/1427039864.db2.gz VAESOOXSZONOBC-UHFFFAOYSA-N 0 1 382.508 3.411 20 0 GGADMN CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825291401 1427042946 /nfs/dbraw/zinc/04/29/46/1427042946.db2.gz QRILASZOLWNSPW-OAHLLOKOSA-N 0 1 378.480 3.247 20 0 GGADMN CC(C)(C)c1ccc(OCCCC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000174202151 1427047661 /nfs/dbraw/zinc/04/76/61/1427047661.db2.gz VROIHYFIRUHOJR-IBGZPJMESA-N 0 1 388.552 3.324 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000735771294 1427058910 /nfs/dbraw/zinc/05/89/10/1427058910.db2.gz NASAZEMMEFEBQR-UZLBHIALSA-N 0 1 392.507 3.362 20 0 GGADMN CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)[C@H]2CCO[C@@H]21 ZINC000824789849 1427060275 /nfs/dbraw/zinc/06/02/75/1427060275.db2.gz JSWPAZZQVLEAIJ-AQNXPRMDSA-N 0 1 375.476 3.437 20 0 GGADMN Cc1cccn2c(CNCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cnc12 ZINC000174246314 1427067807 /nfs/dbraw/zinc/06/78/07/1427067807.db2.gz CGPIOTCAWNDYRM-UHFFFAOYSA-N 0 1 398.532 3.107 20 0 GGADMN CCOc1ccccc1[C@H](CC(C)C)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000174246654 1427068603 /nfs/dbraw/zinc/06/86/03/1427068603.db2.gz ILZAXNGRCQPIFF-ICSRJNTNSA-N 0 1 390.572 3.108 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@H]1CCc2c1cccc2Cl ZINC000174248161 1427069022 /nfs/dbraw/zinc/06/90/22/1427069022.db2.gz VAFXHJCXKSXJBE-IBGZPJMESA-N 0 1 384.911 3.051 20 0 GGADMN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc21 ZINC000174255190 1427072375 /nfs/dbraw/zinc/07/23/75/1427072375.db2.gz XHTALEZTATYQEV-UHFFFAOYSA-N 0 1 397.859 3.372 20 0 GGADMN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000174258728 1427073162 /nfs/dbraw/zinc/07/31/62/1427073162.db2.gz KNNSVUHHDZWTLG-UHFFFAOYSA-N 0 1 397.382 3.044 20 0 GGADMN C[C@@H]1CN([C@@H](CNCc2ccc(CO)o2)c2c(F)cccc2Cl)CCO1 ZINC000174271724 1427078795 /nfs/dbraw/zinc/07/87/95/1427078795.db2.gz WNTRMZSKZHDMDV-ACJLOTCBSA-N 0 1 382.863 3.116 20 0 GGADMN CSC1(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC000174275124 1427079881 /nfs/dbraw/zinc/07/98/81/1427079881.db2.gz DMUKTPFILFQSHL-GOSISDBHSA-N 0 1 390.593 3.358 20 0 GGADMN C[C@H](O)C[C@H](C)CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000174279310 1427082091 /nfs/dbraw/zinc/08/20/91/1427082091.db2.gz USAKGMSUWGCZJJ-GJZGRUSLSA-N 0 1 391.537 3.143 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000174288188 1427086612 /nfs/dbraw/zinc/08/66/12/1427086612.db2.gz FDHBPAOWQMZHJK-SFHVURJKSA-N 0 1 375.513 3.220 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H](C)CCOc3ccccc3)n2)cc1 ZINC000174292368 1427088216 /nfs/dbraw/zinc/08/82/16/1427088216.db2.gz FKHDBLRFKZLRRY-OAHLLOKOSA-N 0 1 380.448 3.202 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H](C)CCOc3ccccc3)n[nH]2)cc1 ZINC000174292368 1427088220 /nfs/dbraw/zinc/08/82/20/1427088220.db2.gz FKHDBLRFKZLRRY-OAHLLOKOSA-N 0 1 380.448 3.202 20 0 GGADMN O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000174294033 1427089022 /nfs/dbraw/zinc/08/90/22/1427089022.db2.gz KTKQPCXTOCHNEU-FQEVSTJZSA-N 0 1 378.476 3.209 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1Cl ZINC000174298302 1427090922 /nfs/dbraw/zinc/09/09/22/1427090922.db2.gz HCADVZJJYBMKLV-UHFFFAOYSA-N 0 1 393.318 3.331 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3nc(C)c(C)s3)CC2)cc1 ZINC000174305637 1427093608 /nfs/dbraw/zinc/09/36/08/1427093608.db2.gz ZPQOLIZJQMYEGM-UHFFFAOYSA-N 0 1 388.537 3.186 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)[nH]1 ZINC000174311117 1427095997 /nfs/dbraw/zinc/09/59/97/1427095997.db2.gz ACBXAOHOBDRQPJ-LBPRGKRZSA-N 0 1 387.509 3.024 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)n1 ZINC000174311117 1427096007 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CCN(C)[C@@H](C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000174337953 1427108948 /nfs/dbraw/zinc/10/89/48/1427108948.db2.gz FGTVDKHKUGCKRT-OAQYLSRUSA-N 0 1 380.467 3.363 20 0 GGADMN O=C(NC1CC1)[C@H](NCCc1nc(C(F)(F)F)cs1)c1ccc(F)cc1 ZINC000174341855 1427110734 /nfs/dbraw/zinc/11/07/34/1427110734.db2.gz PNTUZICIBVJDJW-OAHLLOKOSA-N 0 1 387.402 3.453 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000174350133 1427115296 /nfs/dbraw/zinc/11/52/96/1427115296.db2.gz ZJVGMWBNMUXKAI-CABCVRRESA-N 0 1 397.972 3.343 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000174356898 1427118205 /nfs/dbraw/zinc/11/82/05/1427118205.db2.gz BJQJUMVBRKZTPY-UHFFFAOYSA-N 0 1 390.443 3.287 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000174381327 1427129835 /nfs/dbraw/zinc/12/98/35/1427129835.db2.gz BDIBKSQFEVOALQ-ZBFHGGJFSA-N 0 1 386.496 3.305 20 0 GGADMN C[C@H](c1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1)[NH+]1CCOCC1 ZINC000820562859 1427130983 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3.378 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)c2)CC1 ZINC000174494565 1427180981 /nfs/dbraw/zinc/18/09/81/1427180981.db2.gz JNKZCKHSBDESQA-XZOQPEGZSA-N 0 1 393.531 3.084 20 0 GGADMN COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826190072 1427184149 /nfs/dbraw/zinc/18/41/49/1427184149.db2.gz OVRRYQQGRAJFAH-STQMWFEESA-N 0 1 398.467 3.071 20 0 GGADMN COc1cccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821868790 1427184570 /nfs/dbraw/zinc/18/45/70/1427184570.db2.gz VJSNOOVGIDPQAU-UHFFFAOYSA-N 0 1 375.379 3.109 20 0 GGADMN COc1cccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000821868790 1427184577 /nfs/dbraw/zinc/18/45/77/1427184577.db2.gz VJSNOOVGIDPQAU-UHFFFAOYSA-N 0 1 375.379 3.109 20 0 GGADMN CSc1nc(C)c(CCC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(C)n1 ZINC000174506114 1427190103 /nfs/dbraw/zinc/19/01/03/1427190103.db2.gz JZHLGCPLEPTPQF-UHFFFAOYSA-N 0 1 387.484 3.122 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccccc1C ZINC000174505833 1427190622 /nfs/dbraw/zinc/19/06/22/1427190622.db2.gz FXNJFOWFUWXVNG-UHFFFAOYSA-N 0 1 377.423 3.477 20 0 GGADMN O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174508174 1427191371 /nfs/dbraw/zinc/19/13/71/1427191371.db2.gz VDJRKONTVSQZIB-OAHLLOKOSA-N 0 1 387.534 3.308 20 0 GGADMN CC(C)NC(=O)Nc1cccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000174508675 1427191380 /nfs/dbraw/zinc/19/13/80/1427191380.db2.gz MTEYSMXBFYENIV-UHFFFAOYSA-N 0 1 383.427 3.204 20 0 GGADMN COc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1OC(F)F ZINC000174510141 1427192472 /nfs/dbraw/zinc/19/24/72/1427192472.db2.gz PDAJZLROYOUACV-UHFFFAOYSA-N 0 1 379.338 3.285 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[nH]1 ZINC000174511433 1427193295 /nfs/dbraw/zinc/19/32/95/1427193295.db2.gz DSWWKRVGPPHKGW-UHFFFAOYSA-N 0 1 379.489 3.407 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(CN3CCc4ccccc43)cc2)n1 ZINC000174511433 1427193297 /nfs/dbraw/zinc/19/32/97/1427193297.db2.gz DSWWKRVGPPHKGW-UHFFFAOYSA-N 0 1 379.489 3.407 20 0 GGADMN O=C(Cc1csc(-c2cccnc2)n1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174511262 1427193805 /nfs/dbraw/zinc/19/38/05/1427193805.db2.gz HGJRUXNIKALKOI-UHFFFAOYSA-N 0 1 381.436 3.122 20 0 GGADMN COc1ccc(C(=O)CCCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000174513284 1427194382 /nfs/dbraw/zinc/19/43/82/1427194382.db2.gz LLDKEWAVKOUVJT-UHFFFAOYSA-N 0 1 383.423 3.423 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821207240 1427194473 /nfs/dbraw/zinc/19/44/73/1427194473.db2.gz JNYCJGSXEIOLOD-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821207240 1427194477 /nfs/dbraw/zinc/19/44/77/1427194477.db2.gz JNYCJGSXEIOLOD-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000821207240 1427194480 /nfs/dbraw/zinc/19/44/80/1427194480.db2.gz JNYCJGSXEIOLOD-HNNXBMFYSA-N 0 1 394.479 3.287 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1OC(F)F ZINC000174512520 1427194545 /nfs/dbraw/zinc/19/45/45/1427194545.db2.gz UKSLAZXYYULXOU-UHFFFAOYSA-N 0 1 375.419 3.439 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccccc3OC(F)F)c2)CC1 ZINC000174512687 1427194690 /nfs/dbraw/zinc/19/46/90/1427194690.db2.gz PLHCSHPHKAJJPY-UHFFFAOYSA-N 0 1 375.419 3.288 20 0 GGADMN O=C(Nc1cccc(Oc2ccccn2)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000174513746 1427195188 /nfs/dbraw/zinc/19/51/88/1427195188.db2.gz GNRQNDAFAWSOEO-SFHVURJKSA-N 0 1 396.491 3.450 20 0 GGADMN COc1ccc(CCN(Cc2ccccc2)C(=O)CSc2nnc(C)[nH]2)cc1 ZINC000174516499 1427197469 /nfs/dbraw/zinc/19/74/69/1427197469.db2.gz UQMFONNBWPGSLD-UHFFFAOYSA-N 0 1 396.516 3.485 20 0 GGADMN COc1ccc(CCN(Cc2ccccc2)C(=O)CSc2nc(C)n[nH]2)cc1 ZINC000174516499 1427197481 /nfs/dbraw/zinc/19/74/81/1427197481.db2.gz UQMFONNBWPGSLD-UHFFFAOYSA-N 0 1 396.516 3.485 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ncc(C)s1 ZINC000174516710 1427197558 /nfs/dbraw/zinc/19/75/58/1427197558.db2.gz CTVXLOHSOFOMBZ-UHFFFAOYSA-N 0 1 375.498 3.246 20 0 GGADMN CCc1nsc(N2CCCN(CCCOc3ccc(OC)cc3)CC2)n1 ZINC000174518935 1427199200 /nfs/dbraw/zinc/19/92/00/1427199200.db2.gz AKSSNNGOFGTUKC-UHFFFAOYSA-N 0 1 376.526 3.090 20 0 GGADMN Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000174520052 1427199222 /nfs/dbraw/zinc/19/92/22/1427199222.db2.gz CVQNTNCORCPXBE-UHFFFAOYSA-N 0 1 394.475 3.131 20 0 GGADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)s1 ZINC000174519686 1427199280 /nfs/dbraw/zinc/19/92/80/1427199280.db2.gz LIGVUURMULVMMX-SNVBAGLBSA-N 0 1 388.518 3.372 20 0 GGADMN CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736336316 1427209698 /nfs/dbraw/zinc/20/96/98/1427209698.db2.gz CGMOJUKPWDLNHH-NRFANRHFSA-N 0 1 395.507 3.332 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1ccccc1 ZINC000174540516 1427211632 /nfs/dbraw/zinc/21/16/32/1427211632.db2.gz PRVGWGUTESBEKM-UHFFFAOYSA-N 0 1 382.508 3.201 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cccc(C)c1 ZINC000174539978 1427211667 /nfs/dbraw/zinc/21/16/67/1427211667.db2.gz ZQWGKIACQFRRLO-UHFFFAOYSA-N 0 1 382.508 3.467 20 0 GGADMN C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nnc[nH]1 ZINC000174540772 1427211780 /nfs/dbraw/zinc/21/17/80/1427211780.db2.gz SHDPURBYQXIZNW-GUYCJALGSA-N 0 1 397.866 3.197 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174544014 1427214604 /nfs/dbraw/zinc/21/46/04/1427214604.db2.gz GVMZGNPNVCYZPA-JTQLQIEISA-N 0 1 393.278 3.334 20 0 GGADMN CC(C)(CCc1ccccc1)NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174549191 1427218418 /nfs/dbraw/zinc/21/84/18/1427218418.db2.gz JCQKOZHEDYVHBP-UHFFFAOYSA-N 0 1 380.536 3.121 20 0 GGADMN COc1ccc([C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C2CC2)cc1 ZINC000174557970 1427223835 /nfs/dbraw/zinc/22/38/35/1427223835.db2.gz JVKZDYWLJLZJJQ-HSZRJFAPSA-N 0 1 393.531 3.324 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)c2cccnc2c1C ZINC000174562229 1427225135 /nfs/dbraw/zinc/22/51/35/1427225135.db2.gz MHZXIKKRNXBEAP-FQEVSTJZSA-N 0 1 390.487 3.209 20 0 GGADMN C[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000736025925 1427225273 /nfs/dbraw/zinc/22/52/73/1427225273.db2.gz KXUOZPVSRTUVGS-OAHLLOKOSA-N 0 1 385.475 3.274 20 0 GGADMN C[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000736025925 1427225282 /nfs/dbraw/zinc/22/52/82/1427225282.db2.gz KXUOZPVSRTUVGS-OAHLLOKOSA-N 0 1 385.475 3.274 20 0 GGADMN C[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000736025925 1427225291 /nfs/dbraw/zinc/22/52/91/1427225291.db2.gz KXUOZPVSRTUVGS-OAHLLOKOSA-N 0 1 385.475 3.274 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccccc1 ZINC000174562603 1427226188 /nfs/dbraw/zinc/22/61/88/1427226188.db2.gz HIFKFWSILFFNLG-QGZVFWFLSA-N 0 1 393.409 3.149 20 0 GGADMN Cc1cc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822202189 1427228729 /nfs/dbraw/zinc/22/87/29/1427228729.db2.gz OPFDXHRBPZIOBQ-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)N2CCCC2)o1 ZINC000174568852 1427229154 /nfs/dbraw/zinc/22/91/54/1427229154.db2.gz ZFVYSYUGQNUTOO-HUUCEWRRSA-N 0 1 389.500 3.466 20 0 GGADMN COc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1O ZINC000174568903 1427229179 /nfs/dbraw/zinc/22/91/79/1427229179.db2.gz WSXAWNKFWIQRLQ-INIZCTEOSA-N 0 1 392.402 3.287 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1)c1cccs1 ZINC000174568722 1427229923 /nfs/dbraw/zinc/22/99/23/1427229923.db2.gz YXNDQOJDMMBZEY-AWEZNQCLSA-N 0 1 399.438 3.211 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)N2CCCC2)o1 ZINC000174568827 1427229972 /nfs/dbraw/zinc/22/99/72/1427229972.db2.gz ZFVYSYUGQNUTOO-LSDHHAIUSA-N 0 1 389.500 3.466 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569686 1427230267 /nfs/dbraw/zinc/23/02/67/1427230267.db2.gz OEAAYBOHMSBROY-HOTGVXAUSA-N 0 1 394.535 3.141 20 0 GGADMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCS1 ZINC000174569919 1427230408 /nfs/dbraw/zinc/23/04/08/1427230408.db2.gz WIXJVYZFTXQUHT-DOTOQJQBSA-N 0 1 394.560 3.176 20 0 GGADMN CC[C@H]1CN(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCS1 ZINC000174569957 1427231632 /nfs/dbraw/zinc/23/16/32/1427231632.db2.gz WIXJVYZFTXQUHT-WBVHZDCISA-N 0 1 394.560 3.176 20 0 GGADMN CSC(C)(C)CNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174570466 1427231891 /nfs/dbraw/zinc/23/18/91/1427231891.db2.gz MRUFETJWQLBPFW-CQSZACIVSA-N 0 1 382.549 3.079 20 0 GGADMN CN1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)C2(CCCCC2)C1 ZINC000174574160 1427233814 /nfs/dbraw/zinc/23/38/14/1427233814.db2.gz WPXFITQQWAOMAQ-UHFFFAOYSA-N 0 1 389.584 3.329 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)N(C)C)cc1 ZINC000174578517 1427237026 /nfs/dbraw/zinc/23/70/26/1427237026.db2.gz DGJFWHXABTXRAC-NRFANRHFSA-N 0 1 392.503 3.098 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000174586981 1427242499 /nfs/dbraw/zinc/24/24/99/1427242499.db2.gz WRXIHVWJPHXGIZ-NVXWUHKLSA-N 0 1 394.947 3.155 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H]2CCC[C@@H](O)C2)CC1 ZINC000174586991 1427242712 /nfs/dbraw/zinc/24/27/12/1427242712.db2.gz WRXIHVWJPHXGIZ-DOTOQJQBSA-N 0 1 394.947 3.155 20 0 GGADMN Cc1cc(F)ccc1-c1ccc(CN[C@H]2CCCN(c3ccn(C)n3)C2=O)o1 ZINC000174588515 1427243825 /nfs/dbraw/zinc/24/38/25/1427243825.db2.gz PCPFGGGTRRVRKH-SFHVURJKSA-N 0 1 382.439 3.413 20 0 GGADMN CCCC(=CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nnn[n-]2)c1)CCC ZINC000825221206 1427247213 /nfs/dbraw/zinc/24/72/13/1427247213.db2.gz YURFSVXWLNZGTP-UHFFFAOYSA-N 0 1 384.528 3.284 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)CCc1cccn1C ZINC000174598984 1427250026 /nfs/dbraw/zinc/25/00/26/1427250026.db2.gz VRPGAWGALLKKAC-GOSISDBHSA-N 0 1 383.540 3.228 20 0 GGADMN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1 ZINC000736231301 1427250385 /nfs/dbraw/zinc/25/03/85/1427250385.db2.gz WZZXEOZARZBTQU-DYESRHJHSA-N 0 1 376.508 3.352 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028598 1427252819 /nfs/dbraw/zinc/25/28/19/1427252819.db2.gz DCPDFAUIQBVLIM-ZWKOTPCHSA-N 0 1 386.862 3.194 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CCN1C[C@@H](C)O ZINC000174603678 1427253268 /nfs/dbraw/zinc/25/32/68/1427253268.db2.gz ZHGUKQYPUHZNQV-PBHICJAKSA-N 0 1 385.483 3.169 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000174606519 1427257018 /nfs/dbraw/zinc/25/70/18/1427257018.db2.gz YTIDKXVSKIOVNZ-BNEJOLLZSA-N 0 1 384.442 3.113 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)[nH]1 ZINC000174619213 1427266605 /nfs/dbraw/zinc/26/66/05/1427266605.db2.gz DQUYNMOCGIOYPA-UHFFFAOYSA-N 0 1 397.508 3.137 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)n1 ZINC000174619213 1427266615 /nfs/dbraw/zinc/26/66/15/1427266615.db2.gz DQUYNMOCGIOYPA-UHFFFAOYSA-N 0 1 397.508 3.137 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000737243938 1427266723 /nfs/dbraw/zinc/26/67/23/1427266723.db2.gz CWKRXNJVIXWHOH-AWEZNQCLSA-N 0 1 387.488 3.080 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CCSc2nnc(C)[nH]2)cc1Cl ZINC000174634562 1427278589 /nfs/dbraw/zinc/27/85/89/1427278589.db2.gz IWMRDCYNDFFHAH-UHFFFAOYSA-N 0 1 395.916 3.369 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCN(CC)CC2)C12CCC2 ZINC000174634441 1427278678 /nfs/dbraw/zinc/27/86/78/1427278678.db2.gz SPQYWMQUVHQYHC-UXHICEINSA-N 0 1 386.540 3.298 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000174638678 1427280001 /nfs/dbraw/zinc/28/00/01/1427280001.db2.gz JJQDDWRBJQPVBM-OAQYLSRUSA-N 0 1 393.535 3.133 20 0 GGADMN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000825923551 1427288849 /nfs/dbraw/zinc/28/88/49/1427288849.db2.gz LYNWTJZRCCWKGH-UHFFFAOYSA-N 0 1 389.463 3.158 20 0 GGADMN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000825923551 1427288860 /nfs/dbraw/zinc/28/88/60/1427288860.db2.gz LYNWTJZRCCWKGH-UHFFFAOYSA-N 0 1 389.463 3.158 20 0 GGADMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820056153 1427290818 /nfs/dbraw/zinc/29/08/18/1427290818.db2.gz NCDNHFMZCRSZCO-OAHLLOKOSA-N 0 1 392.479 3.035 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)cc2=O)cc1 ZINC000174658156 1427292218 /nfs/dbraw/zinc/29/22/18/1427292218.db2.gz VQQZRRJQIQKXHL-UHFFFAOYSA-N 0 1 392.503 3.244 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[nH]1 ZINC000174679288 1427305164 /nfs/dbraw/zinc/30/51/64/1427305164.db2.gz VKNDZISTFCIFLT-UHFFFAOYSA-N 0 1 385.518 3.468 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)n1 ZINC000174679288 1427305172 /nfs/dbraw/zinc/30/51/72/1427305172.db2.gz VKNDZISTFCIFLT-UHFFFAOYSA-N 0 1 385.518 3.468 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000823821415 1427306325 /nfs/dbraw/zinc/30/63/25/1427306325.db2.gz UATIINAYRCCCQR-LSDHHAIUSA-N 0 1 394.342 3.489 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(F)ccc2Sc2nccn2C)[nH]1 ZINC000174681368 1427306853 /nfs/dbraw/zinc/30/68/53/1427306853.db2.gz ILCARKZEUFNNDB-UHFFFAOYSA-N 0 1 392.485 3.258 20 0 GGADMN COc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826193632 1427308235 /nfs/dbraw/zinc/30/82/35/1427308235.db2.gz JNIQMFZJOIHLKC-GOSISDBHSA-N 0 1 379.464 3.057 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)[nH]1 ZINC000174685264 1427308856 /nfs/dbraw/zinc/30/88/56/1427308856.db2.gz UUHRNZYQQBIMRB-UHFFFAOYSA-N 0 1 393.900 3.123 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[nH]1 ZINC000174685228 1427308930 /nfs/dbraw/zinc/30/89/30/1427308930.db2.gz OVOXLGFAEYKRQS-UHFFFAOYSA-N 0 1 393.900 3.123 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)n1 ZINC000174685228 1427308932 /nfs/dbraw/zinc/30/89/32/1427308932.db2.gz OVOXLGFAEYKRQS-UHFFFAOYSA-N 0 1 393.900 3.123 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)N2CCCC2)o1 ZINC000174687869 1427310246 /nfs/dbraw/zinc/31/02/46/1427310246.db2.gz VTKDIVVKTNBYHZ-QGZVFWFLSA-N 0 1 391.512 3.098 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3c(F)cccc3N3CCCC3)c2)CC1 ZINC000174693368 1427313607 /nfs/dbraw/zinc/31/36/07/1427313607.db2.gz PGMRKCNVQYGGFC-UHFFFAOYSA-N 0 1 396.510 3.426 20 0 GGADMN CN(Cc1cc2ccccc2o1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000174693824 1427314211 /nfs/dbraw/zinc/31/42/11/1427314211.db2.gz QVBUBHDQMYXBAK-UHFFFAOYSA-N 0 1 379.441 3.241 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(c2nncn2C2CC2)CC1 ZINC000174706810 1427321003 /nfs/dbraw/zinc/32/10/03/1427321003.db2.gz PMVGSZWAZDGABC-OAQYLSRUSA-N 0 1 393.535 3.374 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@H]1CCOC1 ZINC000825435041 1427321919 /nfs/dbraw/zinc/32/19/19/1427321919.db2.gz JPBLLDJNYXUMRT-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCOC1 ZINC000825435041 1427321926 /nfs/dbraw/zinc/32/19/26/1427321926.db2.gz JPBLLDJNYXUMRT-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCOC1 ZINC000825435041 1427321931 /nfs/dbraw/zinc/32/19/31/1427321931.db2.gz JPBLLDJNYXUMRT-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000174709902 1427322592 /nfs/dbraw/zinc/32/25/92/1427322592.db2.gz PYEQECAZRQWWFL-KRWDZBQOSA-N 0 1 375.513 3.071 20 0 GGADMN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)nn1 ZINC000174708947 1427322632 /nfs/dbraw/zinc/32/26/32/1427322632.db2.gz YXIYELHJVFTWGR-UHFFFAOYSA-N 0 1 392.419 3.282 20 0 GGADMN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1nnc2ccccc2c1O ZINC000174709083 1427323081 /nfs/dbraw/zinc/32/30/81/1427323081.db2.gz PDORKNRHLUHBJN-UHFFFAOYSA-N 0 1 390.374 3.289 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000820411683 1427327446 /nfs/dbraw/zinc/32/74/46/1427327446.db2.gz JFJIBMLKZCJAGT-ZIAGYGMSSA-N 0 1 378.436 3.235 20 0 GGADMN CCS(=O)(=O)CCN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000174717116 1427328249 /nfs/dbraw/zinc/32/82/49/1427328249.db2.gz YAWJCNVIICUKOJ-HXUWFJFHSA-N 0 1 377.506 3.012 20 0 GGADMN C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820412214 1427332286 /nfs/dbraw/zinc/33/22/86/1427332286.db2.gz KWMPOPPFGVZREZ-IGEOTXOUSA-N 0 1 386.500 3.353 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)c2)CC1 ZINC000174748346 1427346407 /nfs/dbraw/zinc/34/64/07/1427346407.db2.gz SGMUKVNOPWVURK-FQEVSTJZSA-N 0 1 399.922 3.341 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCNC3=O)c2)c(Cl)c1 ZINC000174753963 1427349507 /nfs/dbraw/zinc/34/95/07/1427349507.db2.gz LUBFRLQTARNJJH-UHFFFAOYSA-N 0 1 379.869 3.369 20 0 GGADMN Cc1ccc(Cl)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826288925 1427355523 /nfs/dbraw/zinc/35/55/23/1427355523.db2.gz CEKSTVSFKGSXNP-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN Clc1ccccc1C1=CC[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826353080 1427355704 /nfs/dbraw/zinc/35/57/04/1427355704.db2.gz AETODRWVJUTIHT-UHFFFAOYSA-N 0 1 391.866 3.457 20 0 GGADMN Clc1ccccc1C1=CC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826353080 1427355706 /nfs/dbraw/zinc/35/57/06/1427355706.db2.gz AETODRWVJUTIHT-UHFFFAOYSA-N 0 1 391.866 3.457 20 0 GGADMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000174768431 1427357355 /nfs/dbraw/zinc/35/73/55/1427357355.db2.gz VBQRNUWNOYQGHZ-CQSZACIVSA-N 0 1 388.537 3.133 20 0 GGADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737420267 1427358835 /nfs/dbraw/zinc/35/88/35/1427358835.db2.gz FAZFUKKZYWSWOT-LJQANCHMSA-N 0 1 385.475 3.486 20 0 GGADMN CN1C(=O)COc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21 ZINC000174774905 1427360865 /nfs/dbraw/zinc/36/08/65/1427360865.db2.gz BMSMJKHAXWJQIL-UHFFFAOYSA-N 0 1 387.244 3.149 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)[nH]1 ZINC000174775285 1427360923 /nfs/dbraw/zinc/36/09/23/1427360923.db2.gz JFHMQKKKOMRQSZ-ZDUSSCGKSA-N 0 1 377.514 3.120 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000174782866 1427364635 /nfs/dbraw/zinc/36/46/35/1427364635.db2.gz RAGYSQWYADFNHE-MRXNPFEDSA-N 0 1 394.510 3.055 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000174783446 1427365482 /nfs/dbraw/zinc/36/54/82/1427365482.db2.gz NCEFUCWOQHNXGJ-OAHLLOKOSA-N 0 1 398.473 3.020 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174785063 1427366175 /nfs/dbraw/zinc/36/61/75/1427366175.db2.gz NODNTOCFHLHSQH-XXBNENTESA-N 0 1 392.547 3.132 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000174785036 1427366366 /nfs/dbraw/zinc/36/63/66/1427366366.db2.gz NODNTOCFHLHSQH-WMZHIEFXSA-N 0 1 392.547 3.132 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)[C@@H]1c1cccc(F)c1 ZINC000824962650 1427368966 /nfs/dbraw/zinc/36/89/66/1427368966.db2.gz WMLSFRQUCFDXBM-DJJJIMSYSA-N 0 1 377.427 3.237 20 0 GGADMN COCCCC[N@@H+](Cc1ccccc1)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826156271 1427373022 /nfs/dbraw/zinc/37/30/22/1427373022.db2.gz WFMZZZLDTAZWSI-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(CN3CCN(C)CC3)c1)CCC2 ZINC000174798799 1427374903 /nfs/dbraw/zinc/37/49/03/1427374903.db2.gz WCJNPVIRWHRIIO-HXUWFJFHSA-N 0 1 398.576 3.349 20 0 GGADMN CCCc1ccc([C@@H]([NH2+][C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000825348755 1427382950 /nfs/dbraw/zinc/38/29/50/1427382950.db2.gz ZELXWKDLSKVVEH-VQTJNVASSA-N 0 1 392.507 3.333 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3n[nH]cc3-c3ccc4c(c3)OCO4)[nH]n2)o1 ZINC000174817244 1427384646 /nfs/dbraw/zinc/38/46/46/1427384646.db2.gz ZGFUURLJYDMJGL-UHFFFAOYSA-N 0 1 377.360 3.349 20 0 GGADMN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nnc[nH]2)cc1Cl ZINC000174818601 1427385707 /nfs/dbraw/zinc/38/57/07/1427385707.db2.gz ZOVKEBASRFTGSZ-GOSISDBHSA-N 0 1 385.855 3.279 20 0 GGADMN O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCCN1Cc1ccccc1 ZINC000174826120 1427389497 /nfs/dbraw/zinc/38/94/97/1427389497.db2.gz MLDFJHABUNLNNN-AWEZNQCLSA-N 0 1 383.439 3.485 20 0 GGADMN OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738393925 1427390244 /nfs/dbraw/zinc/39/02/44/1427390244.db2.gz OFXNYNXSVVVNQM-FPOVZHCZSA-N 0 1 393.491 3.086 20 0 GGADMN CN(CCCS(=O)(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828987 1427390726 /nfs/dbraw/zinc/39/07/26/1427390726.db2.gz ODGOGJLYAMEWPF-UHFFFAOYSA-N 0 1 396.553 3.182 20 0 GGADMN O=C(CN(CCO)c1ccccc1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000174829133 1427391072 /nfs/dbraw/zinc/39/10/72/1427391072.db2.gz HTOSQORPAWDAPN-UHFFFAOYSA-N 0 1 378.354 3.019 20 0 GGADMN CC[C@@H](NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1nc(C)cs1 ZINC000825144396 1427397821 /nfs/dbraw/zinc/39/78/21/1427397821.db2.gz ZXHYPPYILHHEEW-GOSISDBHSA-N 0 1 397.552 3.337 20 0 GGADMN CC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1nc(C)cs1 ZINC000825144396 1427397830 /nfs/dbraw/zinc/39/78/30/1427397830.db2.gz ZXHYPPYILHHEEW-GOSISDBHSA-N 0 1 397.552 3.337 20 0 GGADMN CC1(C)CN(C(=O)Nc2cnn(CC(F)F)c2)CCN1Cc1ccccc1 ZINC000174845113 1427403231 /nfs/dbraw/zinc/40/32/31/1427403231.db2.gz KDBDFHQOUVILJM-UHFFFAOYSA-N 0 1 377.439 3.277 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1cnn(CC(F)F)c1)N1CCCC1 ZINC000174846762 1427403936 /nfs/dbraw/zinc/40/39/36/1427403936.db2.gz AGTZUASMARQNJW-MRXNPFEDSA-N 0 1 393.438 3.115 20 0 GGADMN Cc1ccccc1-n1nccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174850837 1427406262 /nfs/dbraw/zinc/40/62/62/1427406262.db2.gz DQJYEQQMKCFYFI-UHFFFAOYSA-N 0 1 389.503 3.180 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N2CC[C@H](CSc3ccccc3)C2)C[C@H](C)O1 ZINC000174856410 1427410002 /nfs/dbraw/zinc/41/00/02/1427410002.db2.gz JYFZUMBMVDSJTQ-OTWHNJEPSA-N 0 1 391.581 3.310 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N2CC[C@H](CSc3ccccc3)C2)C[C@@H](C)O1 ZINC000174856426 1427410114 /nfs/dbraw/zinc/41/01/14/1427410114.db2.gz JYFZUMBMVDSJTQ-QRVBRYPASA-N 0 1 391.581 3.310 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N(CCc3cccc(F)c3)C3CC3)c2)CC1 ZINC000174858890 1427411789 /nfs/dbraw/zinc/41/17/89/1427411789.db2.gz FYWOXJUJGAPZCG-UHFFFAOYSA-N 0 1 395.522 3.420 20 0 GGADMN C[C@H](C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(F)cc1 ZINC000824427099 1427415777 /nfs/dbraw/zinc/41/57/77/1427415777.db2.gz LJEGBEREFRXAEI-FTXHTYHOSA-N 0 1 396.470 3.484 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CSc4nccn4C)o3)[nH]c2c1 ZINC000174864797 1427416263 /nfs/dbraw/zinc/41/62/63/1427416263.db2.gz AIFBWVWEYHHTAG-UHFFFAOYSA-N 0 1 381.461 3.420 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ncoc3-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000174867027 1427417793 /nfs/dbraw/zinc/41/77/93/1427417793.db2.gz WAGXSNALJAHROW-UHFFFAOYSA-N 0 1 390.399 3.228 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)N1CCOCC1 ZINC000174867247 1427417820 /nfs/dbraw/zinc/41/78/20/1427417820.db2.gz OWJTUGVUUUPLFQ-ZWKOTPCHSA-N 0 1 394.585 3.339 20 0 GGADMN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000824773080 1427419891 /nfs/dbraw/zinc/41/98/91/1427419891.db2.gz YDXDASFTAXBLLX-HNNXBMFYSA-N 0 1 388.479 3.152 20 0 GGADMN Cc1ccc2nc(CNC(=O)CCn3c(=O)oc4cc(Cl)ccc43)[nH]c2c1 ZINC000174872732 1427420631 /nfs/dbraw/zinc/42/06/31/1427420631.db2.gz CPVIMOCDWGRIOC-UHFFFAOYSA-N 0 1 384.823 3.139 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)[nH]c2c1 ZINC000174877389 1427422505 /nfs/dbraw/zinc/42/25/05/1427422505.db2.gz IBIKIMPEBAPJFF-FQEVSTJZSA-N 0 1 378.476 3.251 20 0 GGADMN C[C@@H]1C[N@H+](CCCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820759047 1427424265 /nfs/dbraw/zinc/42/42/65/1427424265.db2.gz HDXKYKCZGIIVMM-BETUJISGSA-N 0 1 398.433 3.187 20 0 GGADMN C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547280 1427427482 /nfs/dbraw/zinc/42/74/82/1427427482.db2.gz NRDZQOJTROYHTC-HNNXBMFYSA-N 0 1 380.471 3.321 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCSC[C@@H]3c3ccccc3)c2)CC1 ZINC000174892135 1427430738 /nfs/dbraw/zinc/43/07/38/1427430738.db2.gz HGNXWOXXAJTODE-JOCHJYFZSA-N 0 1 395.572 3.364 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCSC[C@H]3c3ccccc3)c2)CC1 ZINC000174892154 1427430887 /nfs/dbraw/zinc/43/08/87/1427430887.db2.gz HGNXWOXXAJTODE-QFIPXVFZSA-N 0 1 395.572 3.364 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1cccc2ncccc21 ZINC000174895565 1427432349 /nfs/dbraw/zinc/43/23/49/1427432349.db2.gz FZSUZXRIJPHYBO-UHFFFAOYSA-N 0 1 397.442 3.239 20 0 GGADMN Cc1ccc(NC(=O)CSCC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174897880 1427433771 /nfs/dbraw/zinc/43/37/71/1427433771.db2.gz DKMCHLAOWSDJFO-UHFFFAOYSA-N 0 1 382.489 3.168 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000174900534 1427435278 /nfs/dbraw/zinc/43/52/78/1427435278.db2.gz JBPLXNWFOIAHSA-SFHVURJKSA-N 0 1 390.572 3.283 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824548525 1427435656 /nfs/dbraw/zinc/43/56/56/1427435656.db2.gz XLPAXEBWDOBNPA-RLFYNMQTSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824548525 1427435658 /nfs/dbraw/zinc/43/56/58/1427435658.db2.gz XLPAXEBWDOBNPA-RLFYNMQTSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824548525 1427435660 /nfs/dbraw/zinc/43/56/60/1427435660.db2.gz XLPAXEBWDOBNPA-RLFYNMQTSA-N 0 1 380.471 3.492 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000821805307 1427436383 /nfs/dbraw/zinc/43/63/83/1427436383.db2.gz SUXJGKMRCQHUTJ-INIZCTEOSA-N 0 1 383.427 3.406 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1cccc2cccnc21 ZINC000174902693 1427436737 /nfs/dbraw/zinc/43/67/37/1427436737.db2.gz BRKUPMSLTUTVHE-UHFFFAOYSA-N 0 1 397.442 3.239 20 0 GGADMN COc1ccccc1-c1nn(C)cc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174903106 1427436780 /nfs/dbraw/zinc/43/67/80/1427436780.db2.gz DSCRYVXKQMNSME-UHFFFAOYSA-N 0 1 375.432 3.210 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)[nH]c2c1 ZINC000174902781 1427436953 /nfs/dbraw/zinc/43/69/53/1427436953.db2.gz OXNCPBNIRCJLRA-YOEHRIQHSA-N 0 1 383.496 3.117 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)[nH]c2c1 ZINC000174902796 1427437076 /nfs/dbraw/zinc/43/70/76/1427437076.db2.gz OXNCPBNIRCJLRA-WMLDXEAASA-N 0 1 383.496 3.117 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000174904629 1427437705 /nfs/dbraw/zinc/43/77/05/1427437705.db2.gz MHYNFQXDKAWTTH-UHFFFAOYSA-N 0 1 391.547 3.412 20 0 GGADMN Cc1sc2nc(CCC(=O)NCc3nc4ccc(C)cc4[nH]3)[nH]c(=O)c2c1C ZINC000174908195 1427440306 /nfs/dbraw/zinc/44/03/06/1427440306.db2.gz LHRATSRGYJOAMW-UHFFFAOYSA-N 0 1 395.488 3.035 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)ccc2OC[C@@H]2CCCO2)N1 ZINC000174908457 1427440890 /nfs/dbraw/zinc/44/08/90/1427440890.db2.gz KGKYHDDNZSWCII-UGSOOPFHSA-N 0 1 397.866 3.344 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)[nH]c2c1 ZINC000174909906 1427441175 /nfs/dbraw/zinc/44/11/75/1427441175.db2.gz ZLOGVZHXZVYFKW-QRWLVFNGSA-N 0 1 396.878 3.361 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)[nH]c2c1 ZINC000174909888 1427441316 /nfs/dbraw/zinc/44/13/16/1427441316.db2.gz ZLOGVZHXZVYFKW-MGPUTAFESA-N 0 1 396.878 3.361 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](NC(=O)CC(C)C)c3ccccc3)[nH]c2c1 ZINC000174909139 1427441328 /nfs/dbraw/zinc/44/13/28/1427441328.db2.gz OUMFLQFALIZBDK-OAQYLSRUSA-N 0 1 378.476 3.391 20 0 GGADMN COc1cc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC(F)F ZINC000174910576 1427442085 /nfs/dbraw/zinc/44/20/85/1427442085.db2.gz YBPIJTPVNGPPSS-UHFFFAOYSA-N 0 1 391.374 3.420 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)NC1(c2nccs2)CCCC1 ZINC000174911231 1427442781 /nfs/dbraw/zinc/44/27/81/1427442781.db2.gz CXQOIQJBQSUHHX-UHFFFAOYSA-N 0 1 384.549 3.241 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824613593 1427446700 /nfs/dbraw/zinc/44/67/00/1427446700.db2.gz VLTOLXOVYGRARS-LBPRGKRZSA-N 0 1 381.390 3.181 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(c2ccccc2Cl)CC1 ZINC000174950599 1427461393 /nfs/dbraw/zinc/46/13/93/1427461393.db2.gz OFBYLMVTNPXZGL-UHFFFAOYSA-N 0 1 386.955 3.295 20 0 GGADMN Cc1cccc(N2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)c1C ZINC000174951051 1427462516 /nfs/dbraw/zinc/46/25/16/1427462516.db2.gz LXFOALTYTSXSMU-UHFFFAOYSA-N 0 1 380.564 3.258 20 0 GGADMN COc1cccc(N2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)c1 ZINC000174969290 1427472623 /nfs/dbraw/zinc/47/26/23/1427472623.db2.gz KMMNTPHHAHBLAC-UHFFFAOYSA-N 0 1 378.476 3.161 20 0 GGADMN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)C1(C)C ZINC000174979451 1427476637 /nfs/dbraw/zinc/47/66/37/1427476637.db2.gz ORPFWCXNDVHYCN-CVEARBPZSA-N 0 1 389.521 3.268 20 0 GGADMN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)C1(C)C ZINC000174979431 1427476696 /nfs/dbraw/zinc/47/66/96/1427476696.db2.gz ORPFWCXNDVHYCN-HZPDHXFCSA-N 0 1 389.521 3.268 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000737434450 1427477251 /nfs/dbraw/zinc/47/72/51/1427477251.db2.gz JTJDLQAZRYJBEQ-CZUORRHYSA-N 0 1 397.483 3.094 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCC1(c2ccccc2)CCOCC1 ZINC000174988422 1427481697 /nfs/dbraw/zinc/48/16/97/1427481697.db2.gz OCCBAUSOAWZXCG-UHFFFAOYSA-N 0 1 381.548 3.157 20 0 GGADMN CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2OC)cc1 ZINC000174991358 1427483111 /nfs/dbraw/zinc/48/31/11/1427483111.db2.gz XHKCCCLFAABNTJ-UHFFFAOYSA-N 0 1 376.478 3.150 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000174997712 1427487214 /nfs/dbraw/zinc/48/72/14/1427487214.db2.gz QWWFOKCVLQVSKN-UHFFFAOYSA-N 0 1 394.468 3.344 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3sc(C)nc3C)C2=O)c1 ZINC000174999452 1427487996 /nfs/dbraw/zinc/48/79/96/1427487996.db2.gz HGMBOANEZMDFQG-SJCJKPOMSA-N 0 1 375.494 3.233 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3sc(C)nc3C)C2=O)c1 ZINC000174999433 1427488385 /nfs/dbraw/zinc/48/83/85/1427488385.db2.gz HGMBOANEZMDFQG-PXAZEXFGSA-N 0 1 375.494 3.233 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000175004797 1427492609 /nfs/dbraw/zinc/49/26/09/1427492609.db2.gz IXNCNPPLFWLABR-UHFFFAOYSA-N 0 1 384.524 3.146 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000175004797 1427492614 /nfs/dbraw/zinc/49/26/14/1427492614.db2.gz IXNCNPPLFWLABR-UHFFFAOYSA-N 0 1 384.524 3.146 20 0 GGADMN Cc1c(COc2ccccc2)cccc1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000175008172 1427493779 /nfs/dbraw/zinc/49/37/79/1427493779.db2.gz BFIKIFGBNINBHQ-SFHVURJKSA-N 0 1 396.535 3.331 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000175011291 1427495555 /nfs/dbraw/zinc/49/55/55/1427495555.db2.gz WRNNVZSQZZLXBR-QWHCGFSZSA-N 0 1 381.400 3.206 20 0 GGADMN CNC(=O)CC1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000175015345 1427499331 /nfs/dbraw/zinc/49/93/31/1427499331.db2.gz VQXBDRUSBIJOFL-SFHVURJKSA-N 0 1 393.531 3.129 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000175016353 1427500364 /nfs/dbraw/zinc/50/03/64/1427500364.db2.gz KASDQCVRXDLDKO-UHFFFAOYSA-N 0 1 380.441 3.035 20 0 GGADMN COC(=O)c1ccc(OC[C@H](O)CNC2(c3nc(C)cs3)CCCC2)cc1 ZINC000175019050 1427501954 /nfs/dbraw/zinc/50/19/54/1427501954.db2.gz CXXLYASBUHMFFP-MRXNPFEDSA-N 0 1 390.505 3.037 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1 ZINC000175018816 1427502051 /nfs/dbraw/zinc/50/20/51/1427502051.db2.gz VGLJWTYINIOLGP-KRWDZBQOSA-N 0 1 390.553 3.043 20 0 GGADMN CNC(=O)CC1CCN(CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 ZINC000175020816 1427503058 /nfs/dbraw/zinc/50/30/58/1427503058.db2.gz UPPOEJMDKTYMNL-UHFFFAOYSA-N 0 1 399.579 3.014 20 0 GGADMN C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1Cl ZINC000175020346 1427503315 /nfs/dbraw/zinc/50/33/15/1427503315.db2.gz WEUACLZJOKGOIT-HNNXBMFYSA-N 0 1 390.890 3.264 20 0 GGADMN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000175029636 1427508617 /nfs/dbraw/zinc/50/86/17/1427508617.db2.gz RVFLRPXRWWQFPV-UHFFFAOYSA-N 0 1 381.417 3.189 20 0 GGADMN COCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000175032600 1427510093 /nfs/dbraw/zinc/51/00/93/1427510093.db2.gz XVWGKTHFRZEYDD-UHFFFAOYSA-N 0 1 383.492 3.106 20 0 GGADMN Cc1c(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000826241963 1427510554 /nfs/dbraw/zinc/51/05/54/1427510554.db2.gz VISWYBAKFBBNOD-UHFFFAOYSA-N 0 1 397.527 3.295 20 0 GGADMN CCOc1ccc(-c2nn[n-]n2)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000825627139 1427510804 /nfs/dbraw/zinc/51/08/04/1427510804.db2.gz USYHGOWBRPRRMU-UHFFFAOYSA-N 0 1 378.480 3.342 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737343889 1427516319 /nfs/dbraw/zinc/51/63/19/1427516319.db2.gz XBFLYUDZEAQXDB-INIZCTEOSA-N 0 1 382.899 3.445 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2C)N2CCCC2)cc1 ZINC000175043400 1427516343 /nfs/dbraw/zinc/51/63/43/1427516343.db2.gz HVRRJGNUIGYBJX-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(F)c1C)N1CCCC1 ZINC000175045733 1427516910 /nfs/dbraw/zinc/51/69/10/1427516910.db2.gz HDMUBSQDAJMCLM-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2Cl)N(C)C)c1 ZINC000175046254 1427517756 /nfs/dbraw/zinc/51/77/56/1427517756.db2.gz PPRTZJIMZAXTSH-KRWDZBQOSA-N 0 1 389.883 3.015 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2C)N2CCCC2)c1 ZINC000175047599 1427518624 /nfs/dbraw/zinc/51/86/24/1427518624.db2.gz UCHATMMORKQSND-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)c2)CC1 ZINC000175048834 1427519295 /nfs/dbraw/zinc/51/92/95/1427519295.db2.gz YUAGXGNYQLKMAE-NRFANRHFSA-N 0 1 395.522 3.278 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000175050472 1427520151 /nfs/dbraw/zinc/52/01/51/1427520151.db2.gz PXAWUGOKIRVARL-QUCCMNQESA-N 0 1 396.510 3.137 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000175054036 1427522084 /nfs/dbraw/zinc/52/20/84/1427522084.db2.gz UBGVLBRMQGNXHU-VXKWHMMOSA-N 0 1 392.547 3.121 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000175055612 1427522741 /nfs/dbraw/zinc/52/27/41/1427522741.db2.gz ATSFXROILDXLRU-SFTDATJTSA-N 0 1 392.547 3.307 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(F)c1C)c1ccsc1 ZINC000175061406 1427525740 /nfs/dbraw/zinc/52/57/40/1427525740.db2.gz PUIFXYCNBBIGFO-QGZVFWFLSA-N 0 1 377.485 3.333 20 0 GGADMN C[C@@H](C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)N1CCc2ccccc2C1 ZINC000175064898 1427527302 /nfs/dbraw/zinc/52/73/02/1427527302.db2.gz YLPDGQGQYKQDQY-AVRDEDQJSA-N 0 1 386.536 3.010 20 0 GGADMN C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000825858944 1427540181 /nfs/dbraw/zinc/54/01/81/1427540181.db2.gz BCVYHYZJGRKNAF-UHFFFAOYSA-N 0 1 391.907 3.106 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000175094028 1427542810 /nfs/dbraw/zinc/54/28/10/1427542810.db2.gz LDQIJWBBVDHIOR-SFHVURJKSA-N 0 1 376.456 3.392 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000826028482 1427544281 /nfs/dbraw/zinc/54/42/81/1427544281.db2.gz AYKXYJAKUZADLY-HIFRSBDPSA-N 0 1 389.385 3.138 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc2c(c1)N(C)CCO2)N1CCc2ccccc2C1 ZINC000175105831 1427549499 /nfs/dbraw/zinc/54/94/99/1427549499.db2.gz FYVPNYXYJIXPOF-MRXNPFEDSA-N 0 1 380.492 3.084 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000175108115 1427550856 /nfs/dbraw/zinc/55/08/56/1427550856.db2.gz OIUAUSDMZIOJNQ-MRXNPFEDSA-N 0 1 376.888 3.121 20 0 GGADMN CN1CCOc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc21 ZINC000175107942 1427551058 /nfs/dbraw/zinc/55/10/58/1427551058.db2.gz LKXDLSJQQPBYQA-GOSISDBHSA-N 0 1 384.480 3.457 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCCc3cc4ccccc4o3)c2)CC1 ZINC000175109936 1427551650 /nfs/dbraw/zinc/55/16/50/1427551650.db2.gz LCPGGMALIZUTHM-UHFFFAOYSA-N 0 1 377.488 3.153 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000175109572 1427551670 /nfs/dbraw/zinc/55/16/70/1427551670.db2.gz MSULGXDENQQZIQ-UHFFFAOYSA-N 0 1 395.507 3.219 20 0 GGADMN CC1(C)CCC(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000175111850 1427552339 /nfs/dbraw/zinc/55/23/39/1427552339.db2.gz HXRDKVXZWSSXNU-UHFFFAOYSA-N 0 1 389.565 3.259 20 0 GGADMN Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826374028 1427555925 /nfs/dbraw/zinc/55/59/25/1427555925.db2.gz ITSDFNDTZXHJEU-GOSISDBHSA-N 0 1 377.427 3.381 20 0 GGADMN CN(CCNC(=O)Nc1ccccc1C(=O)N1CCCC1)Cc1ccc(F)cc1 ZINC000175128350 1427560941 /nfs/dbraw/zinc/56/09/41/1427560941.db2.gz JYAWLCWATPXSAE-UHFFFAOYSA-N 0 1 398.482 3.315 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545841 1427561424 /nfs/dbraw/zinc/56/14/24/1427561424.db2.gz DWJZGTZMRZRLGJ-MAUKXSAKSA-N 0 1 380.471 3.321 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824449010 1427561785 /nfs/dbraw/zinc/56/17/85/1427561785.db2.gz MFMFVBQRZUBCPE-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1noc(Cc2ccccc2)n1 ZINC000175131866 1427562074 /nfs/dbraw/zinc/56/20/74/1427562074.db2.gz FSQHVTFSYVXSMK-VIFPVBQESA-N 0 1 393.519 3.144 20 0 GGADMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1noc(Cc2ccccc2)n1 ZINC000175131877 1427562157 /nfs/dbraw/zinc/56/21/57/1427562157.db2.gz FSQHVTFSYVXSMK-SECBINFHSA-N 0 1 393.519 3.144 20 0 GGADMN CN(CCNC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(F)cc1 ZINC000175133300 1427562815 /nfs/dbraw/zinc/56/28/15/1427562815.db2.gz FBZCBYPFUAJGGF-UHFFFAOYSA-N 0 1 384.455 3.206 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824962046 1427565567 /nfs/dbraw/zinc/56/55/67/1427565567.db2.gz NEDSKKHAKKNYGH-OAHLLOKOSA-N 0 1 395.486 3.488 20 0 GGADMN Cc1cnc(C(C)(C)NC(=O)CCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000175146785 1427567903 /nfs/dbraw/zinc/56/79/03/1427567903.db2.gz UBYHGLBFWYLMCC-UHFFFAOYSA-N 0 1 386.565 3.324 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C)o1 ZINC000175166763 1427578283 /nfs/dbraw/zinc/57/82/83/1427578283.db2.gz KIGZJSPBRDNFDE-DLBZAZTESA-N 0 1 375.469 3.395 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1OCC1CC1 ZINC000175172666 1427580998 /nfs/dbraw/zinc/58/09/98/1427580998.db2.gz RJNGKWCCFVHGMA-UHFFFAOYSA-N 0 1 398.482 3.160 20 0 GGADMN COCCOc1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1 ZINC000175172285 1427581333 /nfs/dbraw/zinc/58/13/33/1427581333.db2.gz CWWPLCDJRJTOPM-UHFFFAOYSA-N 0 1 375.444 3.104 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccccc3OCC3CC3)c2)CC1 ZINC000175176976 1427583921 /nfs/dbraw/zinc/58/39/21/1427583921.db2.gz IPTHHKGKQGDIKZ-UHFFFAOYSA-N 0 1 379.504 3.475 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000175179788 1427585271 /nfs/dbraw/zinc/58/52/71/1427585271.db2.gz IQMJOZQNNXEPEG-HXUWFJFHSA-N 0 1 378.520 3.320 20 0 GGADMN Cc1ccc(O[C@H](C)CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000175179630 1427585295 /nfs/dbraw/zinc/58/52/95/1427585295.db2.gz WGYVCDDERJTWLT-GOSISDBHSA-N 0 1 382.508 3.121 20 0 GGADMN Cc1ccc(O[C@@H](C)CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000175179611 1427585376 /nfs/dbraw/zinc/58/53/76/1427585376.db2.gz WGYVCDDERJTWLT-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccccc1Cl ZINC000175179698 1427585538 /nfs/dbraw/zinc/58/55/38/1427585538.db2.gz XKALUVBYOBGSFW-MAUKXSAKSA-N 0 1 394.947 3.020 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000175179768 1427585582 /nfs/dbraw/zinc/58/55/82/1427585582.db2.gz IQMJOZQNNXEPEG-FQEVSTJZSA-N 0 1 378.520 3.320 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175182816 1427587244 /nfs/dbraw/zinc/58/72/44/1427587244.db2.gz CVEOKWYVPBGIFW-UHFFFAOYSA-N 0 1 386.471 3.219 20 0 GGADMN COC(=O)c1ccc(F)c(NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175191189 1427590666 /nfs/dbraw/zinc/59/06/66/1427590666.db2.gz XVEDODHNMDIKOG-UHFFFAOYSA-N 0 1 377.391 3.005 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000175196728 1427593574 /nfs/dbraw/zinc/59/35/74/1427593574.db2.gz OWCFQOLMWXTWFP-GHTZIAJQSA-N 0 1 388.556 3.401 20 0 GGADMN O=C(Cc1ccccc1)N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175197173 1427593736 /nfs/dbraw/zinc/59/37/36/1427593736.db2.gz TWADMZJXUCJWKU-UHFFFAOYSA-N 0 1 393.270 3.226 20 0 GGADMN CN(C)C(=O)COc1cccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000175199621 1427595643 /nfs/dbraw/zinc/59/56/43/1427595643.db2.gz FUXRVZUKRRQNOQ-UHFFFAOYSA-N 0 1 397.258 3.096 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)[nH]c21 ZINC000175199806 1427595738 /nfs/dbraw/zinc/59/57/38/1427595738.db2.gz VXEMKKFZTXWDLJ-UHFFFAOYSA-N 0 1 387.447 3.431 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)[nH]c21 ZINC000175203646 1427597788 /nfs/dbraw/zinc/59/77/88/1427597788.db2.gz UAUPZVGRTIFWSU-UHFFFAOYSA-N 0 1 391.475 3.142 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCC[C@@H](CC(N)=O)C3)cs2)cc1OC ZINC000175203382 1427598079 /nfs/dbraw/zinc/59/80/79/1427598079.db2.gz YMZUMPSBGDBPIB-AWEZNQCLSA-N 0 1 389.521 3.305 20 0 GGADMN Cc1ccccc1O[C@H](C)CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000175212048 1427604507 /nfs/dbraw/zinc/60/45/07/1427604507.db2.gz XYJCFOZQXPYDTB-GOSISDBHSA-N 0 1 382.508 3.121 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C12CCCC2 ZINC000175214290 1427605960 /nfs/dbraw/zinc/60/59/60/1427605960.db2.gz BMDAJNLHWHUKBX-PMACEKPBSA-N 0 1 386.540 3.083 20 0 GGADMN CCC(CC)c1cc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)on1 ZINC000175214539 1427606082 /nfs/dbraw/zinc/60/60/82/1427606082.db2.gz UQDJYBBUQLGKGN-UHFFFAOYSA-N 0 1 385.512 3.437 20 0 GGADMN Cc1ccc(O[C@H](C)CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000175214684 1427606582 /nfs/dbraw/zinc/60/65/82/1427606582.db2.gz FWBZHYZGEOKQHD-GOSISDBHSA-N 0 1 382.508 3.121 20 0 GGADMN CC[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000825142470 1427607436 /nfs/dbraw/zinc/60/74/36/1427607436.db2.gz SEOKBAIYRZAHEI-KRWDZBQOSA-N 0 1 386.406 3.214 20 0 GGADMN Cc1cnc([C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C2CC2)s1 ZINC000175216090 1427608469 /nfs/dbraw/zinc/60/84/69/1427608469.db2.gz NIYLYKGWZAJWOI-GOSISDBHSA-N 0 1 385.537 3.261 20 0 GGADMN c1c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738433731 1427609175 /nfs/dbraw/zinc/60/91/75/1427609175.db2.gz UNDGTBPAKSERSZ-UHFFFAOYSA-N 0 1 398.474 3.375 20 0 GGADMN COc1ccc(-n2c(CN3CCC[C@H](CC(N)=O)C3)nc3ccccc32)cc1 ZINC000175224046 1427611975 /nfs/dbraw/zinc/61/19/75/1427611975.db2.gz OHVFXQWZAGFMFM-MRXNPFEDSA-N 0 1 378.476 3.122 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175224927 1427612753 /nfs/dbraw/zinc/61/27/53/1427612753.db2.gz QZLDZVBLRROUKV-PKOBYXMFSA-N 0 1 379.504 3.192 20 0 GGADMN C/C(=C\C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1cccc(Cl)c1 ZINC000175231631 1427614706 /nfs/dbraw/zinc/61/47/06/1427614706.db2.gz ROWDRMARYXBKLE-FOWTUZBSSA-N 0 1 384.911 3.207 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175234927 1427617514 /nfs/dbraw/zinc/61/75/14/1427617514.db2.gz HCJCPTQDEBDOMJ-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175237249 1427618812 /nfs/dbraw/zinc/61/88/12/1427618812.db2.gz CLPZFNWZDJBAFG-PKOBYXMFSA-N 0 1 395.503 3.180 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1 ZINC000175241674 1427621588 /nfs/dbraw/zinc/62/15/88/1427621588.db2.gz IOZNQEALGZYYFH-UHFFFAOYSA-N 0 1 386.471 3.219 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(N2CCCNC2=O)c1 ZINC000175241823 1427622629 /nfs/dbraw/zinc/62/26/29/1427622629.db2.gz XKTVIQHAUXKGMG-FQEVSTJZSA-N 0 1 392.503 3.001 20 0 GGADMN NC(=O)C[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000175242127 1427622671 /nfs/dbraw/zinc/62/26/71/1427622671.db2.gz IVQSKTBJXNMGGE-ZHRRBRCNSA-N 0 1 399.922 3.133 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736348979 1427623602 /nfs/dbraw/zinc/62/36/02/1427623602.db2.gz CKCRSQAQMDHLEA-MRXNPFEDSA-N 0 1 398.898 3.412 20 0 GGADMN O=C(NCCCN1C(=O)COc2ccccc21)c1c(O)cc(Cl)cc1Cl ZINC000175252912 1427627277 /nfs/dbraw/zinc/62/72/77/1427627277.db2.gz QSAWBVCGSFNDMT-UHFFFAOYSA-N 0 1 395.242 3.245 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@@H](C)Cc3cccs3)n2)cc1 ZINC000175260705 1427631061 /nfs/dbraw/zinc/63/10/61/1427631061.db2.gz QRDKSLSBQMNKTH-ZDUSSCGKSA-N 0 1 385.493 3.220 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@@H](C)Cc3cccs3)n[nH]2)cc1 ZINC000175260705 1427631069 /nfs/dbraw/zinc/63/10/69/1427631069.db2.gz QRDKSLSBQMNKTH-ZDUSSCGKSA-N 0 1 385.493 3.220 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](c3ncc(C)s3)C3CC3)n2)cc1 ZINC000175261023 1427631431 /nfs/dbraw/zinc/63/14/31/1427631431.db2.gz LWOOFTSWCIBFIK-MRXNPFEDSA-N 0 1 398.492 3.196 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](c3ncc(C)s3)C3CC3)n[nH]2)cc1 ZINC000175261023 1427631435 /nfs/dbraw/zinc/63/14/35/1427631435.db2.gz LWOOFTSWCIBFIK-MRXNPFEDSA-N 0 1 398.492 3.196 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@@H](C)Oc3ccccc3C)n2)cc1 ZINC000175262364 1427632059 /nfs/dbraw/zinc/63/20/59/1427632059.db2.gz BDCSTMPEXLJAHS-OAHLLOKOSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@@H](C)Oc3ccccc3C)n[nH]2)cc1 ZINC000175262364 1427632064 /nfs/dbraw/zinc/63/20/64/1427632064.db2.gz BDCSTMPEXLJAHS-OAHLLOKOSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@H](C)[C@H]3c3ccccc3)n2)cc1 ZINC000175262110 1427632124 /nfs/dbraw/zinc/63/21/24/1427632124.db2.gz PCCYKJKFJDVHGP-LIRRHRJNSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@H](C)[C@H]3c3ccccc3)n[nH]2)cc1 ZINC000175262110 1427632132 /nfs/dbraw/zinc/63/21/32/1427632132.db2.gz PCCYKJKFJDVHGP-LIRRHRJNSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](c3nc(C)cs3)C3CC3)n2)cc1 ZINC000175262594 1427632470 /nfs/dbraw/zinc/63/24/70/1427632470.db2.gz CLBYTXCSGKLSHH-INIZCTEOSA-N 0 1 398.492 3.196 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](c3nc(C)cs3)C3CC3)n[nH]2)cc1 ZINC000175262594 1427632477 /nfs/dbraw/zinc/63/24/77/1427632477.db2.gz CLBYTXCSGKLSHH-INIZCTEOSA-N 0 1 398.492 3.196 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)n2)cc1 ZINC000175262153 1427632542 /nfs/dbraw/zinc/63/25/42/1427632542.db2.gz PCCYKJKFJDVHGP-IFXJQAMLSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)n[nH]2)cc1 ZINC000175262153 1427632545 /nfs/dbraw/zinc/63/25/45/1427632545.db2.gz PCCYKJKFJDVHGP-IFXJQAMLSA-N 0 1 377.448 3.383 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000175267733 1427635592 /nfs/dbraw/zinc/63/55/92/1427635592.db2.gz YLXZPXMKJGOESC-WOJBJXKFSA-N 0 1 375.582 3.228 20 0 GGADMN CCc1cc(N2CCC(NC(=O)c3c(O)cc(Cl)cc3Cl)CC2)ncn1 ZINC000175269669 1427637526 /nfs/dbraw/zinc/63/75/26/1427637526.db2.gz VNLVLSGBKCJUAX-UHFFFAOYSA-N 0 1 395.290 3.450 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000825981079 1427638070 /nfs/dbraw/zinc/63/80/70/1427638070.db2.gz OHZZJHLIAHHEBG-IBGZPJMESA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000825981079 1427638074 /nfs/dbraw/zinc/63/80/74/1427638074.db2.gz OHZZJHLIAHHEBG-IBGZPJMESA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000825981079 1427638079 /nfs/dbraw/zinc/63/80/79/1427638079.db2.gz OHZZJHLIAHHEBG-IBGZPJMESA-N 0 1 385.475 3.126 20 0 GGADMN Cc1ccc(-c2cc(C(=O)OCc3nc(Cc4ccc(F)cc4)no3)[nH]n2)o1 ZINC000175278567 1427643569 /nfs/dbraw/zinc/64/35/69/1427643569.db2.gz LOGAUILAJQEGQT-UHFFFAOYSA-N 0 1 382.351 3.448 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCCCN(C(=O)OC(C)(C)C)C2CC2)[nH+]1 ZINC000737240067 1427644365 /nfs/dbraw/zinc/64/43/65/1427644365.db2.gz HRQIMUUNIFMXOT-UHFFFAOYSA-N 0 1 387.488 3.080 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000175296142 1427654952 /nfs/dbraw/zinc/65/49/52/1427654952.db2.gz LIOAXRHCAJLCCU-CVEARBPZSA-N 0 1 391.562 3.256 20 0 GGADMN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000175296084 1427655079 /nfs/dbraw/zinc/65/50/79/1427655079.db2.gz JHMBDXQSGVKAIK-UHFFFAOYSA-N 0 1 383.492 3.488 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001139854520 1427655464 /nfs/dbraw/zinc/65/54/64/1427655464.db2.gz MMXOMYUJVMAVBB-DLBZAZTESA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001139854520 1427655467 /nfs/dbraw/zinc/65/54/67/1427655467.db2.gz MMXOMYUJVMAVBB-DLBZAZTESA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001139854520 1427655473 /nfs/dbraw/zinc/65/54/73/1427655473.db2.gz MMXOMYUJVMAVBB-DLBZAZTESA-N 0 1 386.500 3.134 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc2ccccc2n1 ZINC000175298082 1427656545 /nfs/dbraw/zinc/65/65/45/1427656545.db2.gz MWKNXOVXEPDHRL-UHFFFAOYSA-N 0 1 391.475 3.033 20 0 GGADMN CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)Cc1nccs1 ZINC000175300312 1427658559 /nfs/dbraw/zinc/65/85/59/1427658559.db2.gz NMCFDASWNBTQGF-QGZVFWFLSA-N 0 1 392.956 3.182 20 0 GGADMN C[S@@](=O)c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000175299630 1427658595 /nfs/dbraw/zinc/65/85/95/1427658595.db2.gz ZIWZELQTKDCDCT-DNOBIOAJSA-N 0 1 389.521 3.043 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(OC)cc1 ZINC000175300786 1427660258 /nfs/dbraw/zinc/66/02/58/1427660258.db2.gz FXOMKXTWFXJXGY-UHFFFAOYSA-N 0 1 383.492 3.027 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1cccc(OC)c1 ZINC000175302446 1427662299 /nfs/dbraw/zinc/66/22/99/1427662299.db2.gz CXUUATULFXSRSD-UHFFFAOYSA-N 0 1 383.492 3.027 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ncc(-c2ccccc2)s1 ZINC000175304241 1427662667 /nfs/dbraw/zinc/66/26/67/1427662667.db2.gz GWOQLQQCSBWHOT-UHFFFAOYSA-N 0 1 394.481 3.447 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000175303406 1427662912 /nfs/dbraw/zinc/66/29/12/1427662912.db2.gz MCUMHSUJTGYVKB-AEFFLSMTSA-N 0 1 375.513 3.123 20 0 GGADMN CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825204456 1427664104 /nfs/dbraw/zinc/66/41/04/1427664104.db2.gz RBMNSNCDXFQPNH-UIAACRFSSA-N 0 1 396.539 3.117 20 0 GGADMN C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCO2 ZINC000820426161 1427666008 /nfs/dbraw/zinc/66/60/08/1427666008.db2.gz GNMRLQPOLSNBFX-CQSZACIVSA-N 0 1 381.505 3.386 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000175308187 1427666824 /nfs/dbraw/zinc/66/68/24/1427666824.db2.gz LKPILBKXXGWIPZ-UHFFFAOYSA-N 0 1 398.482 3.315 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCc1csc2ccccc12 ZINC000175311815 1427668931 /nfs/dbraw/zinc/66/89/31/1427668931.db2.gz FMHZAWXJZLGKHF-UHFFFAOYSA-N 0 1 395.509 3.259 20 0 GGADMN Cc1ccccc1[C@@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175314136 1427670841 /nfs/dbraw/zinc/67/08/41/1427670841.db2.gz LWAKYLQGNYAGOX-SFHVURJKSA-N 0 1 379.485 3.357 20 0 GGADMN CN(C)c1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1Cl ZINC000175314260 1427671057 /nfs/dbraw/zinc/67/10/57/1427671057.db2.gz MBSFNCOLSDEKEJ-UHFFFAOYSA-N 0 1 388.880 3.043 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000175320114 1427675755 /nfs/dbraw/zinc/67/57/55/1427675755.db2.gz BBOXLYRSAFZSSS-JQVVWYNYSA-N 0 1 399.579 3.407 20 0 GGADMN Fc1ccc(COC2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000826374492 1427675973 /nfs/dbraw/zinc/67/59/73/1427675973.db2.gz ARYXBONKKBWQHD-UHFFFAOYSA-N 0 1 394.454 3.075 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C[C@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000175321111 1427676648 /nfs/dbraw/zinc/67/66/48/1427676648.db2.gz QIUHMWZLBAIFKA-FQEVSTJZSA-N 0 1 388.458 3.335 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000175321620 1427676700 /nfs/dbraw/zinc/67/67/00/1427676700.db2.gz VHOUFUJNIGCVIG-LJQANCHMSA-N 0 1 393.531 3.028 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000175326489 1427680554 /nfs/dbraw/zinc/68/05/54/1427680554.db2.gz LAVHETXWAUUFSP-OAQYLSRUSA-N 0 1 388.458 3.335 20 0 GGADMN CC(C)OCc1cccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000175327694 1427680576 /nfs/dbraw/zinc/68/05/76/1427680576.db2.gz JSVXEQNIYYTUJF-UHFFFAOYSA-N 0 1 383.473 3.249 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000175326468 1427680988 /nfs/dbraw/zinc/68/09/88/1427680988.db2.gz LAVHETXWAUUFSP-NRFANRHFSA-N 0 1 388.458 3.335 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000175329510 1427683126 /nfs/dbraw/zinc/68/31/26/1427683126.db2.gz RJQPXPPQTQOXQL-HSALFYBXSA-N 0 1 399.579 3.216 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N(C)C3CCC(C)CC3)CC2)cc1 ZINC000175329734 1427683518 /nfs/dbraw/zinc/68/35/18/1427683518.db2.gz ZNMHVJCQORQSSU-UHFFFAOYSA-N 0 1 399.579 3.360 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCN1C[C@@H](C)O ZINC000175332348 1427685192 /nfs/dbraw/zinc/68/51/92/1427685192.db2.gz YBAJALVCRNBRFW-SJLPKXTDSA-N 0 1 375.513 3.317 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CCO2)n[nH]1 ZINC000175333543 1427685683 /nfs/dbraw/zinc/68/56/83/1427685683.db2.gz QELUKNXRAPMQLA-KGLIPLIRSA-N 0 1 393.900 3.087 20 0 GGADMN Cc1cccc2nc(CCC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)[nH]c21 ZINC000175332880 1427685773 /nfs/dbraw/zinc/68/57/73/1427685773.db2.gz GWNRALSWYVNKMK-HNNXBMFYSA-N 0 1 399.516 3.427 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCCc1ccc(Cl)cc1 ZINC000175334924 1427686568 /nfs/dbraw/zinc/68/65/68/1427686568.db2.gz ZTZHKOWWCVSYAE-UHFFFAOYSA-N 0 1 387.892 3.088 20 0 GGADMN COC[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)o1 ZINC000175337256 1427688758 /nfs/dbraw/zinc/68/87/58/1427688758.db2.gz XPTWGXJGGFATFY-LJQANCHMSA-N 0 1 389.471 3.378 20 0 GGADMN COc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCCO1 ZINC000821899524 1427689464 /nfs/dbraw/zinc/68/94/64/1427689464.db2.gz ZZFUKNADORMJIV-KRWDZBQOSA-N 0 1 397.454 3.196 20 0 GGADMN CC[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000175339683 1427690533 /nfs/dbraw/zinc/69/05/33/1427690533.db2.gz DOCUZHQNURZUSY-TZIWHRDSSA-N 0 1 387.568 3.497 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCN1C[C@@H](C)O ZINC000175342769 1427692865 /nfs/dbraw/zinc/69/28/65/1427692865.db2.gz SLAZXXKCIQSVRO-IAGOWNOFSA-N 0 1 375.513 3.317 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCN1C[C@@H](C)O ZINC000175342789 1427692921 /nfs/dbraw/zinc/69/29/21/1427692921.db2.gz SLAZXXKCIQSVRO-SJORKVTESA-N 0 1 375.513 3.317 20 0 GGADMN c1cc(OCCC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)c1 ZINC000823762406 1427694158 /nfs/dbraw/zinc/69/41/58/1427694158.db2.gz OFRXIHKEBRHMFD-SFHVURJKSA-N 0 1 393.447 3.201 20 0 GGADMN Cc1cc(C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)on1 ZINC000737265094 1427695043 /nfs/dbraw/zinc/69/50/43/1427695043.db2.gz SFMOGXJOCRRDSN-UHFFFAOYSA-N 0 1 376.420 3.032 20 0 GGADMN Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826283052 1427701533 /nfs/dbraw/zinc/70/15/33/1427701533.db2.gz JGIZXLYGSRBIEF-QGZVFWFLSA-N 0 1 376.508 3.490 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CC[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000175357868 1427703932 /nfs/dbraw/zinc/70/39/32/1427703932.db2.gz MXLMOXHWBWNHSV-JOCHJYFZSA-N 0 1 377.532 3.139 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175360847 1427706269 /nfs/dbraw/zinc/70/62/69/1427706269.db2.gz VTNRTGCECXBODY-HOCLYGCPSA-N 0 1 379.485 3.090 20 0 GGADMN CCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@H](C)c1cccc(OC)c1 ZINC000175374240 1427716098 /nfs/dbraw/zinc/71/60/98/1427716098.db2.gz HTKZEJVOPXXCPM-CQSZACIVSA-N 0 1 397.500 3.304 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000175375444 1427717121 /nfs/dbraw/zinc/71/71/21/1427717121.db2.gz SJSFLQOWFQIQBQ-ACJLOTCBSA-N 0 1 397.475 3.434 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000175375424 1427717324 /nfs/dbraw/zinc/71/73/24/1427717324.db2.gz SJSFLQOWFQIQBQ-SCLBCKFNSA-N 0 1 397.475 3.434 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000175375463 1427718010 /nfs/dbraw/zinc/71/80/10/1427718010.db2.gz SJSFLQOWFQIQBQ-UGSOOPFHSA-N 0 1 397.475 3.434 20 0 GGADMN O=C(CCc1ccoc1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000175389440 1427726566 /nfs/dbraw/zinc/72/65/66/1427726566.db2.gz AIWGLYVUPKTZHB-UHFFFAOYSA-N 0 1 375.900 3.194 20 0 GGADMN COc1cccc(COC[C@@H](O)CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000175389952 1427726623 /nfs/dbraw/zinc/72/66/23/1427726623.db2.gz IZGJZZYPFFSMPC-JHPRIADQSA-N 0 1 391.533 3.003 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175396356 1427730436 /nfs/dbraw/zinc/73/04/36/1427730436.db2.gz ZHYPXMRSEJPIJM-JHPRIADQSA-N 0 1 391.533 3.003 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175396319 1427730473 /nfs/dbraw/zinc/73/04/73/1427730473.db2.gz ZHYPXMRSEJPIJM-FZBPCLLLSA-N 0 1 391.533 3.003 20 0 GGADMN CCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825722712 1427730495 /nfs/dbraw/zinc/73/04/95/1427730495.db2.gz KHPPEKCIQLKFGO-UHFFFAOYSA-N 0 1 393.495 3.025 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175396376 1427730658 /nfs/dbraw/zinc/73/06/58/1427730658.db2.gz ZHYPXMRSEJPIJM-OXSPQAICSA-N 0 1 391.533 3.003 20 0 GGADMN CSC(C)(C)CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000175398555 1427732079 /nfs/dbraw/zinc/73/20/79/1427732079.db2.gz JRCPICQJTOFGMT-IYBDPMFKSA-N 0 1 379.570 3.237 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(c4cc(F)ccc4F)CC3)[nH]c21 ZINC000175400823 1427732828 /nfs/dbraw/zinc/73/28/28/1427732828.db2.gz LKQTZVNSNAENBE-UHFFFAOYSA-N 0 1 384.430 3.431 20 0 GGADMN CN(CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)Cc1ccc(F)cc1 ZINC000175402813 1427734507 /nfs/dbraw/zinc/73/45/07/1427734507.db2.gz YRWHRTBHBFIXIM-FQEVSTJZSA-N 0 1 387.455 3.247 20 0 GGADMN CCOc1cc(C(=O)N2CCNC(C)(C)C2)ccc1OCCOc1ccccc1 ZINC000175402679 1427734572 /nfs/dbraw/zinc/73/45/72/1427734572.db2.gz JRFFFRUNIBGJGQ-UHFFFAOYSA-N 0 1 398.503 3.367 20 0 GGADMN Fc1ccc(C2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)CC2)cc1 ZINC000822766668 1427739837 /nfs/dbraw/zinc/73/98/37/1427739837.db2.gz MSAPCRCYDBNPQQ-UHFFFAOYSA-N 0 1 375.354 3.386 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CCO2)n[nH]1 ZINC000175411237 1427739977 /nfs/dbraw/zinc/73/99/77/1427739977.db2.gz MHKYVEFKJKGNTG-MSOLQXFVSA-N 0 1 387.459 3.267 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CCO2)n[nH]1 ZINC000175411221 1427740272 /nfs/dbraw/zinc/74/02/72/1427740272.db2.gz MHKYVEFKJKGNTG-ROUUACIJSA-N 0 1 387.459 3.267 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198242 1427740602 /nfs/dbraw/zinc/74/06/02/1427740602.db2.gz RKYIQIUKTPKOEL-UGSOOPFHSA-N 0 1 396.882 3.318 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198242 1427740603 /nfs/dbraw/zinc/74/06/03/1427740603.db2.gz RKYIQIUKTPKOEL-UGSOOPFHSA-N 0 1 396.882 3.318 20 0 GGADMN Cc1cccc2nc(CCC(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)[nH]c21 ZINC000175415094 1427741616 /nfs/dbraw/zinc/74/16/16/1427741616.db2.gz AOKWYMOMACAYTP-CYBMUJFWSA-N 0 1 378.432 3.012 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC000821087423 1427755592 /nfs/dbraw/zinc/75/55/92/1427755592.db2.gz BCYWKQVFCQODAU-CQSZACIVSA-N 0 1 383.475 3.031 20 0 GGADMN CCC[N@H+](C)C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821087423 1427755596 /nfs/dbraw/zinc/75/55/96/1427755596.db2.gz BCYWKQVFCQODAU-CQSZACIVSA-N 0 1 383.475 3.031 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC000821087423 1427755599 /nfs/dbraw/zinc/75/55/99/1427755599.db2.gz BCYWKQVFCQODAU-CQSZACIVSA-N 0 1 383.475 3.031 20 0 GGADMN C[NH+](C)CCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736759203 1427760461 /nfs/dbraw/zinc/76/04/61/1427760461.db2.gz PWAFSWYYNAMISJ-UHFFFAOYSA-N 0 1 380.452 3.329 20 0 GGADMN CCCOC1(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CCCCC1 ZINC000175449761 1427760892 /nfs/dbraw/zinc/76/08/92/1427760892.db2.gz XYFZYDPBSHVWHY-UHFFFAOYSA-N 0 1 390.528 3.098 20 0 GGADMN CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000175449735 1427760939 /nfs/dbraw/zinc/76/09/39/1427760939.db2.gz POUVZGPSHCIGLS-CVEARBPZSA-N 0 1 378.542 3.033 20 0 GGADMN CCC[N@H+](CC)CCNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000175452931 1427762535 /nfs/dbraw/zinc/76/25/35/1427762535.db2.gz RPYDMSCNSVIYSW-UHFFFAOYSA-N 0 1 375.542 3.154 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000175452931 1427762540 /nfs/dbraw/zinc/76/25/40/1427762540.db2.gz RPYDMSCNSVIYSW-UHFFFAOYSA-N 0 1 375.542 3.154 20 0 GGADMN CCOC(=O)C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1C ZINC000175454873 1427762970 /nfs/dbraw/zinc/76/29/70/1427762970.db2.gz VSBRKZORTPAMQU-IBGZPJMESA-N 0 1 378.428 3.261 20 0 GGADMN O=C(Nc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1cccs1 ZINC000175470864 1427772145 /nfs/dbraw/zinc/77/21/45/1427772145.db2.gz OKXFCWLLBDPFQY-UHFFFAOYSA-N 0 1 390.428 3.433 20 0 GGADMN CC[C@H](CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)Oc1ccccc1C ZINC000175474227 1427774495 /nfs/dbraw/zinc/77/44/95/1427774495.db2.gz MJHBPPIQGNVCON-CQSZACIVSA-N 0 1 383.473 3.108 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(OC3CCC3)c(F)c2)C[C@H](C)O1 ZINC000175475145 1427775043 /nfs/dbraw/zinc/77/50/43/1427775043.db2.gz YSIYUSDPGYJPSH-GASCZTMLSA-N 0 1 379.476 3.378 20 0 GGADMN CCCN(CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000175478396 1427776501 /nfs/dbraw/zinc/77/65/01/1427776501.db2.gz HXIASZREJOXYOW-KRWDZBQOSA-N 0 1 385.483 3.031 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000175480893 1427779324 /nfs/dbraw/zinc/77/93/24/1427779324.db2.gz MMQZIBRQAGXZDG-MEBBXXQBSA-N 0 1 398.294 3.134 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccc(OC2CCC2)c(F)c1)N1CCN(C)CC1 ZINC000175485714 1427780715 /nfs/dbraw/zinc/78/07/15/1427780715.db2.gz FKYPBVPDUPUOLB-IBGZPJMESA-N 0 1 392.519 3.151 20 0 GGADMN c1cc(-c2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515742 1427780868 /nfs/dbraw/zinc/78/08/68/1427780868.db2.gz JHXJFGGOUIVSHT-IAGOWNOFSA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515742 1427780870 /nfs/dbraw/zinc/78/08/70/1427780870.db2.gz JHXJFGGOUIVSHT-IAGOWNOFSA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515742 1427780875 /nfs/dbraw/zinc/78/08/75/1427780875.db2.gz JHXJFGGOUIVSHT-IAGOWNOFSA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515742 1427780878 /nfs/dbraw/zinc/78/08/78/1427780878.db2.gz JHXJFGGOUIVSHT-IAGOWNOFSA-N 0 1 380.521 3.312 20 0 GGADMN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175485379 1427781296 /nfs/dbraw/zinc/78/12/96/1427781296.db2.gz IKXKRWWBPRQORR-JOCHJYFZSA-N 0 1 397.494 3.302 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NCC3(c4cccc(C)c4)CCCC3)CCO2)n[nH]1 ZINC000175490765 1427785684 /nfs/dbraw/zinc/78/56/84/1427785684.db2.gz MSWAEKPRUKLOPZ-GOSISDBHSA-N 0 1 383.496 3.016 20 0 GGADMN CN(Cc1cscn1)Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821614590 1427786783 /nfs/dbraw/zinc/78/67/83/1427786783.db2.gz MKPSJNCBGCELGK-UHFFFAOYSA-N 0 1 381.465 3.160 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000175502418 1427792561 /nfs/dbraw/zinc/79/25/61/1427792561.db2.gz VSNGOISFMDUEFK-ZNXRZULTSA-N 0 1 390.528 3.335 20 0 GGADMN CC(=O)NCc1ccc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1 ZINC000175504841 1427793730 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C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292326 1427806758 /nfs/dbraw/zinc/80/67/58/1427806758.db2.gz JJWCHXJCKJXBOO-LLGFUMIMSA-N 0 1 393.491 3.486 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292326 1427806765 /nfs/dbraw/zinc/80/67/65/1427806765.db2.gz JJWCHXJCKJXBOO-LLGFUMIMSA-N 0 1 393.491 3.486 20 0 GGADMN COCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1OCC1CC1 ZINC000826159264 1427807931 /nfs/dbraw/zinc/80/79/31/1427807931.db2.gz ZNEVKGXQVLCTSP-UHFFFAOYSA-N 0 1 393.491 3.304 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1OCC1CC1 ZINC000826159264 1427807933 /nfs/dbraw/zinc/80/79/33/1427807933.db2.gz ZNEVKGXQVLCTSP-UHFFFAOYSA-N 0 1 393.491 3.304 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N(CCO)[C@H]1CCc2ccccc21 ZINC000175541251 1427809121 /nfs/dbraw/zinc/80/91/21/1427809121.db2.gz UKXHWRBNYFCZIY-SFTDATJTSA-N 0 1 397.519 3.498 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175542146 1427809636 /nfs/dbraw/zinc/80/96/36/1427809636.db2.gz NXKGCNHAWFFRDC-UHFFFAOYSA-N 0 1 376.445 3.053 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000175554577 1427813562 /nfs/dbraw/zinc/81/35/62/1427813562.db2.gz QIPTTWNUCAUFJG-NHCUHLMSSA-N 0 1 397.519 3.498 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(CCO)[C@H]1CCc2ccccc21 ZINC000175554426 1427813590 /nfs/dbraw/zinc/81/35/90/1427813590.db2.gz SKRWABMUGVECDA-PMACEKPBSA-N 0 1 383.492 3.108 20 0 GGADMN Clc1ccccc1O[C@H]1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000826353701 1427815906 /nfs/dbraw/zinc/81/59/06/1427815906.db2.gz ASBLAKWXICBNRS-ZDUSSCGKSA-N 0 1 382.855 3.062 20 0 GGADMN O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826505790 1427816076 /nfs/dbraw/zinc/81/60/76/1427816076.db2.gz FNOKNAVHGXVMSC-WBVHZDCISA-N 0 1 389.381 3.193 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1cccc(F)c1 ZINC000175571278 1427818565 /nfs/dbraw/zinc/81/85/65/1427818565.db2.gz LKSPIUITNKDWNT-WINIVTDRSA-N 0 1 391.512 3.007 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000175571697 1427818652 /nfs/dbraw/zinc/81/86/52/1427818652.db2.gz LDISTCWQEINKJZ-NHCUHLMSSA-N 0 1 385.483 3.120 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)N(C)C)c1 ZINC000175571922 1427819228 /nfs/dbraw/zinc/81/92/28/1427819228.db2.gz ROCSSIPODFEBGL-YSIASYRMSA-N 0 1 377.529 3.048 20 0 GGADMN CN(Cc1nnc[nH]1)C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000175586109 1427822608 /nfs/dbraw/zinc/82/26/08/1427822608.db2.gz KDOLSBDLQFIRSL-LJQANCHMSA-N 0 1 380.492 3.002 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175587440 1427823182 /nfs/dbraw/zinc/82/31/82/1427823182.db2.gz GGDPELHLQADJTC-HNNXBMFYSA-N 0 1 386.471 3.276 20 0 GGADMN CCCCO[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(C)C ZINC000175589531 1427824014 /nfs/dbraw/zinc/82/40/14/1427824014.db2.gz RFTYTKLVRYUXCA-WOJBJXKFSA-N 0 1 388.556 3.329 20 0 GGADMN CCCCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(C)C ZINC000175589551 1427824135 /nfs/dbraw/zinc/82/41/35/1427824135.db2.gz RFTYTKLVRYUXCA-UXHICEINSA-N 0 1 388.556 3.329 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000175589207 1427824248 /nfs/dbraw/zinc/82/42/48/1427824248.db2.gz DMTSBIFANRKKAO-IEBWSBKVSA-N 0 1 376.570 3.410 20 0 GGADMN CCSCC[C@@H](C)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000175590566 1427824821 /nfs/dbraw/zinc/82/48/21/1427824821.db2.gz SOJQUNWLNGQJFW-CYBMUJFWSA-N 0 1 379.551 3.065 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCC2(CCO)CCCCC2)N2CCCC2)o1 ZINC000175606056 1427829244 /nfs/dbraw/zinc/82/92/44/1427829244.db2.gz QRNIDGYWGCAYIU-GOSISDBHSA-N 0 1 377.529 3.357 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824540310 1427830484 /nfs/dbraw/zinc/83/04/84/1427830484.db2.gz WBMJXVRPSFWIGP-OEPMTFCVSA-N 0 1 396.882 3.143 20 0 GGADMN COc1cc(C=CC(=O)N(C)Cc2nnc[nH]2)cc(Cl)c1OCC(C)C ZINC000175622755 1427835256 /nfs/dbraw/zinc/83/52/56/1427835256.db2.gz WVIMATOJZRCSBH-AATRIKPKSA-N 0 1 378.860 3.173 20 0 GGADMN CN(CCNC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000175628599 1427837247 /nfs/dbraw/zinc/83/72/47/1427837247.db2.gz SELAYFPJDKSHQJ-LJQANCHMSA-N 0 1 384.499 3.083 20 0 GGADMN C[C@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000175633666 1427838767 /nfs/dbraw/zinc/83/87/67/1427838767.db2.gz LUVZENDKRTXJJT-KRWDZBQOSA-N 0 1 399.539 3.206 20 0 GGADMN C[C@@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000175633682 1427838777 /nfs/dbraw/zinc/83/87/77/1427838777.db2.gz LUVZENDKRTXJJT-QGZVFWFLSA-N 0 1 399.539 3.206 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000175633658 1427838904 /nfs/dbraw/zinc/83/89/04/1427838904.db2.gz VJFLXIVASMCGTI-ZBFHGGJFSA-N 0 1 399.520 3.385 20 0 GGADMN CC(C)(C)c1nc(CC(=O)NCC2(CN3CCOCC3)CCCCC2)cs1 ZINC000175649571 1427844525 /nfs/dbraw/zinc/84/45/25/1427844525.db2.gz BTSAPTLPZVWUQM-UHFFFAOYSA-N 0 1 393.597 3.382 20 0 GGADMN CCS[C@H]1CCC[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000175653052 1427845203 /nfs/dbraw/zinc/84/52/03/1427845203.db2.gz GDLMPXMCIPGXHD-OALUTQOASA-N 0 1 376.570 3.410 20 0 GGADMN O=C(Cc1ccccc1OC(F)F)NCC1(CN2CCOCC2)CCCCC1 ZINC000175652416 1427845334 /nfs/dbraw/zinc/84/53/34/1427845334.db2.gz YIPYHYIELRNATQ-UHFFFAOYSA-N 0 1 396.478 3.229 20 0 GGADMN CCN(C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)CC(F)(F)F ZINC000175653195 1427845464 /nfs/dbraw/zinc/84/54/64/1427845464.db2.gz GAWAKBLJTVXUBF-CQSZACIVSA-N 0 1 380.414 3.423 20 0 GGADMN COc1ccc2[nH]cc(CC(=O)NCC3(CN4CCOCC4)CCCCC3)c2c1 ZINC000175653794 1427845723 /nfs/dbraw/zinc/84/57/23/1427845723.db2.gz PMLAMABRCXQUJV-UHFFFAOYSA-N 0 1 399.535 3.118 20 0 GGADMN CCCOC1(CNC(=O)NC2CCN(Cc3ccncc3)CC2)CCCCC1 ZINC000175653467 1427845791 /nfs/dbraw/zinc/84/57/91/1427845791.db2.gz DFQPLHKKGPKOIX-UHFFFAOYSA-N 0 1 388.556 3.475 20 0 GGADMN CCCCO[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000175653370 1427845889 /nfs/dbraw/zinc/84/58/89/1427845889.db2.gz XCWZWSDTVXKJMY-VQTJNVASSA-N 0 1 388.556 3.329 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccc(Cl)nc1Cl ZINC000175657216 1427846538 /nfs/dbraw/zinc/84/65/38/1427846538.db2.gz LSCZUSBMNPHLJO-UHFFFAOYSA-N 0 1 386.323 3.401 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000175658079 1427847062 /nfs/dbraw/zinc/84/70/62/1427847062.db2.gz DBJHJZKBNIJQDD-UHFFFAOYSA-N 0 1 394.822 3.447 20 0 GGADMN O=C(Cc1c[nH]c2ccc(F)cc12)NCC1(CN2CCOCC2)CCCCC1 ZINC000175661217 1427848050 /nfs/dbraw/zinc/84/80/50/1427848050.db2.gz IVUNLMCFUOFAAW-UHFFFAOYSA-N 0 1 387.499 3.248 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F)c1ccco1 ZINC000826501777 1427850243 /nfs/dbraw/zinc/85/02/43/1427850243.db2.gz GWHPLNJRZMEXOK-RDJZCZTQSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501777 1427850248 /nfs/dbraw/zinc/85/02/48/1427850248.db2.gz GWHPLNJRZMEXOK-RDJZCZTQSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501777 1427850255 /nfs/dbraw/zinc/85/02/55/1427850255.db2.gz GWHPLNJRZMEXOK-RDJZCZTQSA-N 0 1 385.443 3.467 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000175673749 1427852461 /nfs/dbraw/zinc/85/24/61/1427852461.db2.gz TZVGQARQBXDPHZ-UHFFFAOYSA-N 0 1 385.468 3.154 20 0 GGADMN CCCN(CC)c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cn1 ZINC000175675790 1427853044 /nfs/dbraw/zinc/85/30/44/1427853044.db2.gz HLABGNICEWRXFL-UHFFFAOYSA-N 0 1 381.524 3.107 20 0 GGADMN O=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2cccnc2)CC1 ZINC000175677325 1427853865 /nfs/dbraw/zinc/85/38/65/1427853865.db2.gz ZSWSOQFKKBYGDC-UHFFFAOYSA-N 0 1 377.410 3.424 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175679864 1427854765 /nfs/dbraw/zinc/85/47/65/1427854765.db2.gz WMVFOSWFUODBFJ-ISKFKSNPSA-N 0 1 375.516 3.456 20 0 GGADMN CN(CCNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)Cc1ccc(F)cc1 ZINC000175681743 1427855070 /nfs/dbraw/zinc/85/50/70/1427855070.db2.gz TUSTZLMYJDNJPA-UHFFFAOYSA-N 0 1 399.445 3.082 20 0 GGADMN O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000175686854 1427857275 /nfs/dbraw/zinc/85/72/75/1427857275.db2.gz JJXQGULCKPGEFZ-UHFFFAOYSA-N 0 1 375.366 3.173 20 0 GGADMN CC(C)(C)c1cc(NC(=O)N2CCN(C3CCOCC3)CC2)n(C(C)(C)C)n1 ZINC000175688521 1427858174 /nfs/dbraw/zinc/85/81/74/1427858174.db2.gz PKYGROSEUHOKAY-UHFFFAOYSA-N 0 1 391.560 3.264 20 0 GGADMN CC(C)(C)c1nc2cc(NC(=O)N3CCN(C4CCOCC4)CC3)ccc2o1 ZINC000175703432 1427864212 /nfs/dbraw/zinc/86/42/12/1427864212.db2.gz FRDFBQBWKYXREF-UHFFFAOYSA-N 0 1 386.496 3.454 20 0 GGADMN C[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1nc(Cc2ccccc2)no1 ZINC000175710054 1427866669 /nfs/dbraw/zinc/86/66/69/1427866669.db2.gz LGGWLOVQZMFTFN-JTQLQIEISA-N 0 1 397.378 3.117 20 0 GGADMN C[S@@](=O)c1ccc(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1 ZINC000175714239 1427867953 /nfs/dbraw/zinc/86/79/53/1427867953.db2.gz XXCYRJHVKUOMIW-MUUNZHRXSA-N 0 1 399.560 3.230 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175716933 1427868853 /nfs/dbraw/zinc/86/88/53/1427868853.db2.gz DBFKCCFJNAGKOD-GJZGRUSLSA-N 0 1 385.430 3.130 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CC[NH+](CC=Cc2ccccc2)CC1 ZINC000738177783 1427869767 /nfs/dbraw/zinc/86/97/67/1427869767.db2.gz NYANBEQEEQZNJN-YVMONPNESA-N 0 1 388.475 3.231 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1ccco1 ZINC000175723849 1427870084 /nfs/dbraw/zinc/87/00/84/1427870084.db2.gz AEYAJIVXFZVCMO-OALUTQOASA-N 0 1 393.528 3.032 20 0 GGADMN CC(C)[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1nc(C2CC2)no1 ZINC000175725438 1427870703 /nfs/dbraw/zinc/87/07/03/1427870703.db2.gz CHJHWFXWQGOAHD-QGZVFWFLSA-N 0 1 389.475 3.214 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000824882383 1427874014 /nfs/dbraw/zinc/87/40/14/1427874014.db2.gz AXKVMOGDQYYNKZ-NVXWUHKLSA-N 0 1 382.537 3.413 20 0 GGADMN CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)cc21 ZINC000175738977 1427875151 /nfs/dbraw/zinc/87/51/51/1427875151.db2.gz PJYKCJRFHRQMJZ-UHFFFAOYSA-N 0 1 382.807 3.338 20 0 GGADMN OCCCCCCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000175740844 1427875546 /nfs/dbraw/zinc/87/55/46/1427875546.db2.gz JWHICODUAKMYRO-UHFFFAOYSA-N 0 1 378.904 3.060 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)s1 ZINC000175741447 1427876196 /nfs/dbraw/zinc/87/61/96/1427876196.db2.gz QJVNGUOYCRSZAN-UHFFFAOYSA-N 0 1 396.516 3.158 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)n2)c(OC)c1 ZINC000175762801 1427883314 /nfs/dbraw/zinc/88/33/14/1427883314.db2.gz AVWLPNLZCLEJQX-VGOFRKELSA-N 0 1 390.443 3.332 20 0 GGADMN CCc1ccc(C(C)(C)CNC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000175763148 1427883596 /nfs/dbraw/zinc/88/35/96/1427883596.db2.gz ZESFSXLCHWFSTH-GOSISDBHSA-N 0 1 387.568 3.421 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(F)cc1F ZINC000175764781 1427884033 /nfs/dbraw/zinc/88/40/33/1427884033.db2.gz AJCUPYWKMGAEGZ-MRXNPFEDSA-N 0 1 396.415 3.192 20 0 GGADMN Cc1cccc(NCCNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)[nH+]1 ZINC000737400326 1427891101 /nfs/dbraw/zinc/89/11/01/1427891101.db2.gz UEJBNYNSCHQASD-UHFFFAOYSA-N 0 1 399.458 3.079 20 0 GGADMN C[C@H]1C[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824885106 1427892331 /nfs/dbraw/zinc/89/23/31/1427892331.db2.gz REKGXTXYMLTCKV-FUHWJXTLSA-N 0 1 393.491 3.350 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)cc2)c1 ZINC000175795267 1427896184 /nfs/dbraw/zinc/89/61/84/1427896184.db2.gz PBINLUKNDJDIOA-WMZOPIPTSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)N2CCCC2)o1 ZINC000175799070 1427897035 /nfs/dbraw/zinc/89/70/35/1427897035.db2.gz QYBUKFMTDUYATG-QUGAMOGWSA-N 0 1 375.494 3.284 20 0 GGADMN CCS[C@H]1CCC[C@@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000175804855 1427899347 /nfs/dbraw/zinc/89/93/47/1427899347.db2.gz WAFYFEMAWVSVIA-ZBFHGGJFSA-N 0 1 389.525 3.344 20 0 GGADMN CCS[C@H]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C1 ZINC000175804855 1427899351 /nfs/dbraw/zinc/89/93/51/1427899351.db2.gz WAFYFEMAWVSVIA-ZBFHGGJFSA-N 0 1 389.525 3.344 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175805383 1427899771 /nfs/dbraw/zinc/89/97/71/1427899771.db2.gz KEZOMORDZWFKJC-SIKLNZKXSA-N 0 1 388.552 3.474 20 0 GGADMN C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175805408 1427899805 /nfs/dbraw/zinc/89/98/05/1427899805.db2.gz ZRXOTJWFAFZQCN-AVRDEDQJSA-N 0 1 386.536 3.010 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000737090786 1427900262 /nfs/dbraw/zinc/90/02/62/1427900262.db2.gz MKIMRXZQEWQAAZ-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000175806781 1427900942 /nfs/dbraw/zinc/90/09/42/1427900942.db2.gz ABXCVPIFDXEDNK-CQSZACIVSA-N 0 1 399.438 3.433 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H]1CCC[C@H]1O ZINC000825980924 1427901303 /nfs/dbraw/zinc/90/13/03/1427901303.db2.gz MEXQMTWABZRBJK-DYESRHJHSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCC[C@H]1O ZINC000825980924 1427901307 /nfs/dbraw/zinc/90/13/07/1427901307.db2.gz MEXQMTWABZRBJK-DYESRHJHSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCC[C@H]1O ZINC000825980924 1427901310 /nfs/dbraw/zinc/90/13/10/1427901310.db2.gz MEXQMTWABZRBJK-DYESRHJHSA-N 0 1 393.491 3.039 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)NCCN(C)Cc2ccc(F)cc2)o1 ZINC000175813075 1427905470 /nfs/dbraw/zinc/90/54/70/1427905470.db2.gz ITFFHPATHBZNCJ-GOSISDBHSA-N 0 1 377.460 3.100 20 0 GGADMN COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175813801 1427905600 /nfs/dbraw/zinc/90/56/00/1427905600.db2.gz KUMKCFUEYLQUPK-HKUYNNGSSA-N 0 1 388.533 3.303 20 0 GGADMN CN(CCNC(=O)NCc1coc(-c2ccccc2)n1)Cc1ccc(F)cc1 ZINC000175812889 1427905686 /nfs/dbraw/zinc/90/56/86/1427905686.db2.gz ZUDOXLCYNWMEIP-UHFFFAOYSA-N 0 1 382.439 3.412 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000175813981 1427906218 /nfs/dbraw/zinc/90/62/18/1427906218.db2.gz ZURNMZMXQJMTRA-NXHRZFHOSA-N 0 1 386.517 3.276 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1cccs1)N[C@H]1CCOc2ccccc21 ZINC000175814003 1427906634 /nfs/dbraw/zinc/90/66/34/1427906634.db2.gz ZURNMZMXQJMTRA-NJAFHUGGSA-N 0 1 386.517 3.276 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000175819144 1427909116 /nfs/dbraw/zinc/90/91/16/1427909116.db2.gz YGXCTHRZBFOEHS-UHFFFAOYSA-N 0 1 381.480 3.416 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000735832355 1427911359 /nfs/dbraw/zinc/91/13/59/1427911359.db2.gz ZTJDBJLILGAVOY-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175823886 1427912532 /nfs/dbraw/zinc/91/25/32/1427912532.db2.gz BBLPGCIRVBFTHA-MSOLQXFVSA-N 0 1 376.497 3.434 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc4[nH]nnc4c3)C2)c1 ZINC000175827875 1427915195 /nfs/dbraw/zinc/91/51/95/1427915195.db2.gz WDUURIONQSVIHP-AWEZNQCLSA-N 0 1 378.436 3.149 20 0 GGADMN O=C(c1cccnc1Sc1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175831519 1427916574 /nfs/dbraw/zinc/91/65/74/1427916574.db2.gz BIZNJEFHSZXSRB-UHFFFAOYSA-N 0 1 383.517 3.170 20 0 GGADMN COc1cc(C(=O)N2CCN(C3CCOCC3)CC2)ccc1OCCC(C)C ZINC000175831084 1427916918 /nfs/dbraw/zinc/91/69/18/1427916918.db2.gz OSZGTHHAQGJCCE-UHFFFAOYSA-N 0 1 390.524 3.057 20 0 GGADMN Cc1cccc(OCCNC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175834020 1427918639 /nfs/dbraw/zinc/91/86/39/1427918639.db2.gz UUMHWXIEAPBYIE-HKUYNNGSSA-N 0 1 388.533 3.140 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1F ZINC000175839424 1427921928 /nfs/dbraw/zinc/92/19/28/1427921928.db2.gz IDJJPQUQWDXWOJ-AEFFLSMTSA-N 0 1 376.497 3.400 20 0 GGADMN O=C(COC(c1ccccc1)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175839086 1427922326 /nfs/dbraw/zinc/92/23/26/1427922326.db2.gz OFWFIJIFJITSLA-UHFFFAOYSA-N 0 1 394.515 3.116 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000175842355 1427925083 /nfs/dbraw/zinc/92/50/83/1427925083.db2.gz NABHDGFHNLQGCY-DLBZAZTESA-N 0 1 382.426 3.132 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000175844845 1427927155 /nfs/dbraw/zinc/92/71/55/1427927155.db2.gz NGKOQIKVLMCIMH-GOEBONIOSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC000175846808 1427928841 /nfs/dbraw/zinc/92/88/41/1427928841.db2.gz ORGHPTQMLXESBI-KDOFPFPSSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000175847288 1427928885 /nfs/dbraw/zinc/92/88/85/1427928885.db2.gz ULFVTXBNFHRBLH-GDBMZVCRSA-N 0 1 379.913 3.066 20 0 GGADMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000175847879 1427929743 /nfs/dbraw/zinc/92/97/43/1427929743.db2.gz YIJZKYJOEOFMNY-ZBFHGGJFSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000175847907 1427929996 /nfs/dbraw/zinc/92/99/96/1427929996.db2.gz YIJZKYJOEOFMNY-HOCLYGCPSA-N 0 1 380.460 3.296 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)CCOc2cccc(C(N)=O)c2)[nH]1 ZINC000175848774 1427930957 /nfs/dbraw/zinc/93/09/57/1427930957.db2.gz NDHOYERBWRTYKM-UHFFFAOYSA-N 0 1 393.447 3.102 20 0 GGADMN CC[N@@H+](CCc1cccs1)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821213465 1427930979 /nfs/dbraw/zinc/93/09/79/1427930979.db2.gz CWBXLYGRBNNNOR-UHFFFAOYSA-N 0 1 381.465 3.043 20 0 GGADMN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175851722 1427932719 /nfs/dbraw/zinc/93/27/19/1427932719.db2.gz XFDBAVZEXBFLOD-LJQANCHMSA-N 0 1 394.515 3.444 20 0 GGADMN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1nc(C2CCCCC2)no1 ZINC000175854169 1427933561 /nfs/dbraw/zinc/93/35/61/1427933561.db2.gz PQONDCDTRHBNIB-SNVBAGLBSA-N 0 1 399.476 3.134 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000175854126 1427933599 /nfs/dbraw/zinc/93/35/99/1427933599.db2.gz YAHWOUMBOQKSIC-ZWKOTPCHSA-N 0 1 382.426 3.132 20 0 GGADMN C[C@H](NC(=O)CC[C@@H]1CC[C@H](C)O1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000175856026 1427934784 /nfs/dbraw/zinc/93/47/84/1427934784.db2.gz QSCNIRLKLARNGD-BQFCYCMXSA-N 0 1 377.504 3.102 20 0 GGADMN Cc1cc(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)n(C)n1 ZINC000175858701 1427936219 /nfs/dbraw/zinc/93/62/19/1427936219.db2.gz QKFFEIIVVVLTJR-CVEARBPZSA-N 0 1 376.526 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)N1[C@H](C)CC[C@H]1C ZINC000175858119 1427936262 /nfs/dbraw/zinc/93/62/62/1427936262.db2.gz CWAWWXHZHDHCGX-KFWWJZLASA-N 0 1 382.464 3.173 20 0 GGADMN Cc1cc(C[NH+](C)C)cc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826266465 1427936525 /nfs/dbraw/zinc/93/65/25/1427936525.db2.gz PPMULVKQTZFCAR-UHFFFAOYSA-N 0 1 394.479 3.033 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccc(F)cc1 ZINC000175859843 1427936837 /nfs/dbraw/zinc/93/68/37/1427936837.db2.gz GCBPSOMCSVSUDY-AKJBCIBTSA-N 0 1 381.448 3.127 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)c1ccc(F)cc1 ZINC000175859810 1427937275 /nfs/dbraw/zinc/93/72/75/1427937275.db2.gz GCBPSOMCSVSUDY-DXPJPUQTSA-N 0 1 381.448 3.127 20 0 GGADMN CCCCNC(=O)NC(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175861837 1427938372 /nfs/dbraw/zinc/93/83/72/1427938372.db2.gz HGFLDUXCWPZPKM-HOTGVXAUSA-N 0 1 381.542 3.042 20 0 GGADMN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)oc1C ZINC000826325720 1427939626 /nfs/dbraw/zinc/93/96/26/1427939626.db2.gz JMLYUUKVQVVYOO-HNNXBMFYSA-N 0 1 395.511 3.034 20 0 GGADMN C[C@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)N1CCc2ccccc2C1 ZINC000175869390 1427943131 /nfs/dbraw/zinc/94/31/31/1427943131.db2.gz YMKPTRZAADNNKX-JYRCXFKTSA-N 0 1 399.560 3.012 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1cccc(F)c1 ZINC000175874622 1427946248 /nfs/dbraw/zinc/94/62/48/1427946248.db2.gz QNTMIQHMRSWIMA-AKJBCIBTSA-N 0 1 381.448 3.127 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1noc(Cc2ccccc2)n1 ZINC000175880770 1427949318 /nfs/dbraw/zinc/94/93/18/1427949318.db2.gz FYZQSIRESYZLHY-SNVBAGLBSA-N 0 1 397.378 3.117 20 0 GGADMN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175888998 1427953402 /nfs/dbraw/zinc/95/34/02/1427953402.db2.gz LSSUEUKRCNYXCX-XMSQKQJNSA-N 0 1 397.494 3.279 20 0 GGADMN CCCCc1nc2ccc(NC(=O)CCOc3cccc(C(N)=O)c3)cc2[nH]1 ZINC000175891952 1427955029 /nfs/dbraw/zinc/95/50/29/1427955029.db2.gz RQEQQVNPUVTPOJ-UHFFFAOYSA-N 0 1 380.448 3.412 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)N2CCCC2)o1 ZINC000175895640 1427956827 /nfs/dbraw/zinc/95/68/27/1427956827.db2.gz CTAPYBZPWRAHOB-JWIGPWBQSA-N 0 1 393.484 3.423 20 0 GGADMN CCOC[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000175898315 1427958190 /nfs/dbraw/zinc/95/81/90/1427958190.db2.gz UVSBEXNVWFZGFB-KRWDZBQOSA-N 0 1 379.932 3.372 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826332353 1427968534 /nfs/dbraw/zinc/96/85/34/1427968534.db2.gz RARGLLRVWBMLIX-WMZOPIPTSA-N 0 1 395.536 3.221 20 0 GGADMN Cc1ccccc1CCCN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000175913476 1427968770 /nfs/dbraw/zinc/96/87/70/1427968770.db2.gz JESHWQRLMDXWJB-UHFFFAOYSA-N 0 1 381.520 3.335 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826332353 1427968536 /nfs/dbraw/zinc/96/85/36/1427968536.db2.gz RARGLLRVWBMLIX-WMZOPIPTSA-N 0 1 395.536 3.221 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccco1 ZINC000175914425 1427968994 /nfs/dbraw/zinc/96/89/94/1427968994.db2.gz YDJYLEBQUXPVPH-PVPMGCCUSA-N 0 1 381.473 3.361 20 0 GGADMN Cc1nc(C(=O)Nc2ccc3ccccc3c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000175918590 1427971395 /nfs/dbraw/zinc/97/13/95/1427971395.db2.gz QBNLNMLNSDKEOV-UHFFFAOYSA-N 0 1 387.325 3.118 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000175921049 1427972795 /nfs/dbraw/zinc/97/27/95/1427972795.db2.gz ALCVYQLOZTXPEC-HAWMADMCSA-N 0 1 379.457 3.115 20 0 GGADMN Fc1ccc2oc(CN3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826375741 1427975677 /nfs/dbraw/zinc/97/56/77/1427975677.db2.gz ADPZWNAHBNQIIY-LJQANCHMSA-N 0 1 379.395 3.326 20 0 GGADMN Fc1ccc2oc(C[N@@H+]3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826375741 1427975681 /nfs/dbraw/zinc/97/56/81/1427975681.db2.gz ADPZWNAHBNQIIY-LJQANCHMSA-N 0 1 379.395 3.326 20 0 GGADMN Fc1ccc2oc(C[N@H+]3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826375741 1427975684 /nfs/dbraw/zinc/97/56/84/1427975684.db2.gz ADPZWNAHBNQIIY-LJQANCHMSA-N 0 1 379.395 3.326 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826179526 1427976263 /nfs/dbraw/zinc/97/62/63/1427976263.db2.gz RTVUMXJLXAZHLZ-UHFFFAOYSA-N 0 1 385.493 3.238 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1 ZINC000175927632 1427978314 /nfs/dbraw/zinc/97/83/14/1427978314.db2.gz NUBDHMKNBNEJJF-WINIVTDRSA-N 0 1 391.512 3.007 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCC(C(F)(F)F)CC1 ZINC000175930039 1427979628 /nfs/dbraw/zinc/97/96/28/1427979628.db2.gz HCVHUTBIRWCZTB-UHFFFAOYSA-N 0 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GGADMN COc1ccc(C[NH2+]CCOc2ccccc2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000821813795 1428057560 /nfs/dbraw/zinc/05/75/60/1428057560.db2.gz NARUBTTURDWNEW-UHFFFAOYSA-N 0 1 381.480 3.341 20 0 GGADMN CCCCOc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176060903 1428059635 /nfs/dbraw/zinc/05/96/35/1428059635.db2.gz WYXAAVYTHFESQN-UHFFFAOYSA-N 0 1 398.507 3.348 20 0 GGADMN C[C@H](OCCCNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccccc1 ZINC000176061438 1428060086 /nfs/dbraw/zinc/06/00/86/1428060086.db2.gz JGGSUSJLFDKAHU-INIZCTEOSA-N 0 1 398.507 3.137 20 0 GGADMN CCC(CC)c1cc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)on1 ZINC000176062148 1428060674 /nfs/dbraw/zinc/06/06/74/1428060674.db2.gz FJXYBQMLOMCLNE-UHFFFAOYSA-N 0 1 387.484 3.060 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2NCc2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820760714 1428061249 /nfs/dbraw/zinc/06/12/49/1428061249.db2.gz SAPQCRYXKIZUPS-IYBDPMFKSA-N 0 1 378.480 3.088 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NCc2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820760714 1428061254 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20 0 GGADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176135558 1428108928 /nfs/dbraw/zinc/10/89/28/1428108928.db2.gz QMTCMNLTULNJQB-OXJNMPFZSA-N 0 1 375.488 3.031 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)c2)CC1 ZINC000176138289 1428111530 /nfs/dbraw/zinc/11/15/30/1428111530.db2.gz MPJAKJBTQOBYLO-SFHVURJKSA-N 0 1 383.458 3.285 20 0 GGADMN O[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682168 1428112030 /nfs/dbraw/zinc/11/20/30/1428112030.db2.gz NIGDXYBDSPMRIL-YADHBBJMSA-N 0 1 385.471 3.474 20 0 GGADMN CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176139022 1428112585 /nfs/dbraw/zinc/11/25/85/1428112585.db2.gz RHWZFRLKNBDJGD-UHFFFAOYSA-N 0 1 393.422 3.259 20 0 GGADMN Cc1cccc(N2C[C@H](C(=O)NCCc3nc4ccc(F)cc4[nH]3)CC2=O)c1C ZINC000176140175 1428113420 /nfs/dbraw/zinc/11/34/20/1428113420.db2.gz OYGHWZQXAFBWHD-OAHLLOKOSA-N 0 1 394.450 3.031 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H](C3CCCC3)C(F)(F)F)cc2)CC1 ZINC000176145436 1428116912 /nfs/dbraw/zinc/11/69/12/1428116912.db2.gz BZZWHYMQKKNTSK-GOSISDBHSA-N 0 1 383.458 3.285 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc(Oc2cnccn2)c1 ZINC000176147545 1428117935 /nfs/dbraw/zinc/11/79/35/1428117935.db2.gz ZGYSOVXMLZOKLF-UHFFFAOYSA-N 0 1 377.379 3.257 20 0 GGADMN CN(C)c1nc2sc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)cc2s1 ZINC000176146956 1428118187 /nfs/dbraw/zinc/11/81/87/1428118187.db2.gz JYCHXAKSXOWGCS-UHFFFAOYSA-N 0 1 389.481 3.412 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824945319 1428119379 /nfs/dbraw/zinc/11/93/79/1428119379.db2.gz BCOZOWZBMZTQOJ-WDEREUQCSA-N 0 1 397.310 3.024 20 0 GGADMN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945319 1428119383 /nfs/dbraw/zinc/11/93/83/1428119383.db2.gz BCOZOWZBMZTQOJ-WDEREUQCSA-N 0 1 397.310 3.024 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945319 1428119386 /nfs/dbraw/zinc/11/93/86/1428119386.db2.gz BCOZOWZBMZTQOJ-WDEREUQCSA-N 0 1 397.310 3.024 20 0 GGADMN O=C(CCC(=O)c1ccc(F)cc1F)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176148817 1428119363 /nfs/dbraw/zinc/11/93/63/1428119363.db2.gz KPCXEYOGXSNBNK-UHFFFAOYSA-N 0 1 375.350 3.302 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1sccc1Br ZINC000176149377 1428120146 /nfs/dbraw/zinc/12/01/46/1428120146.db2.gz GPIFBJXIZWMBHC-UHFFFAOYSA-N 0 1 382.355 3.059 20 0 GGADMN COc1ccccc1-c1nn(C)cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176151506 1428121376 /nfs/dbraw/zinc/12/13/76/1428121376.db2.gz RSYUCPQTCULUAC-UHFFFAOYSA-N 0 1 393.422 3.084 20 0 GGADMN CCOC(=O)c1cc2cc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)ccc2[nH]1 ZINC000176152020 1428122020 /nfs/dbraw/zinc/12/20/20/1428122020.db2.gz QRVOWGSDWIQIBX-UHFFFAOYSA-N 0 1 394.406 3.333 20 0 GGADMN Cc1cc(C)cc(N2CC[C@H](C(=O)NCCc3nc4ccc(F)cc4[nH]3)C2=O)c1 ZINC000176152262 1428122206 /nfs/dbraw/zinc/12/22/06/1428122206.db2.gz ULFNUMLLIDKDCS-QGZVFWFLSA-N 0 1 394.450 3.031 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)CCOc2ccc(C(N)=O)cc2)[nH]1 ZINC000176152930 1428122635 /nfs/dbraw/zinc/12/26/35/1428122635.db2.gz SWXZDPFZBMMALM-UHFFFAOYSA-N 0 1 393.447 3.102 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000176155052 1428124851 /nfs/dbraw/zinc/12/48/51/1428124851.db2.gz MVZWBPRSXITQIP-CYBMUJFWSA-N 0 1 381.548 3.153 20 0 GGADMN c1ccc2c(c1)C=C(C[NH+]1CCC(Oc3cccc(-c4nn[n-]n4)c3)CC1)CO2 ZINC000823868277 1428124929 /nfs/dbraw/zinc/12/49/29/1428124929.db2.gz UGVYCDHGUCWJSA-UHFFFAOYSA-N 0 1 389.459 3.186 20 0 GGADMN O=C(NCC(c1ccccc1)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000176156416 1428125231 /nfs/dbraw/zinc/12/52/31/1428125231.db2.gz QYKMFIXRUYPAMH-UHFFFAOYSA-N 0 1 393.531 3.325 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000176162157 1428129095 /nfs/dbraw/zinc/12/90/95/1428129095.db2.gz WSQPQTBKRSVUPN-CABCVRRESA-N 0 1 383.895 3.294 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000176164321 1428130635 /nfs/dbraw/zinc/13/06/35/1428130635.db2.gz ZHPWXFARLJIVDS-ZDUSSCGKSA-N 0 1 388.443 3.203 20 0 GGADMN CN(C[C@H]1CCOC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000176164371 1428131399 /nfs/dbraw/zinc/13/13/99/1428131399.db2.gz FYPHCLYZBMVDKJ-QGZVFWFLSA-N 0 1 379.932 3.230 20 0 GGADMN Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737400584 1428131642 /nfs/dbraw/zinc/13/16/42/1428131642.db2.gz WNEANMSXDFIMBB-INIZCTEOSA-N 0 1 391.479 3.086 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3nccs3)c2C1 ZINC000176167321 1428133006 /nfs/dbraw/zinc/13/30/06/1428133006.db2.gz NACBPJWNXDARJK-CQSZACIVSA-N 0 1 386.521 3.100 20 0 GGADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000176200097 1428161676 /nfs/dbraw/zinc/16/16/76/1428161676.db2.gz YNOJRTSREHVWOC-UHFFFAOYSA-N 0 1 384.524 3.100 20 0 GGADMN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176202474 1428164403 /nfs/dbraw/zinc/16/44/03/1428164403.db2.gz MTTODNFXNFDGBF-UHFFFAOYSA-N 0 1 375.472 3.450 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N(CCC(F)(F)F)CC1CC1 ZINC000176203460 1428164437 /nfs/dbraw/zinc/16/44/37/1428164437.db2.gz FLFIPRLQINMXKC-UHFFFAOYSA-N 0 1 399.438 3.266 20 0 GGADMN CC(C)C[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000735835800 1428170776 /nfs/dbraw/zinc/17/07/76/1428170776.db2.gz OEHMXMOYYZCKDK-UHFFFAOYSA-N 0 1 387.438 3.225 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N3CCCN(c4ccccc4)CC3)C2=O)c1 ZINC000176214084 1428172266 /nfs/dbraw/zinc/17/22/66/1428172266.db2.gz AKLITPPUXQOGHF-JOCHJYFZSA-N 0 1 395.503 3.021 20 0 GGADMN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nnc[nH]1 ZINC000176218922 1428173671 /nfs/dbraw/zinc/17/36/71/1428173671.db2.gz UMXMKAAVAFRTFA-LLVKDONJSA-N 0 1 387.490 3.088 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000176230465 1428180663 /nfs/dbraw/zinc/18/06/63/1428180663.db2.gz CDFLVSZVBQFTNB-QFBILLFUSA-N 0 1 379.932 3.401 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCS[C@H]2CCCC[C@@H]21 ZINC000176236712 1428184912 /nfs/dbraw/zinc/18/49/12/1428184912.db2.gz BOEWZOAIHOCJRT-HOTGVXAUSA-N 0 1 389.546 3.336 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCN(C)CC12CCCCC2)c1c(F)cccc1F ZINC000176239210 1428186974 /nfs/dbraw/zinc/18/69/74/1428186974.db2.gz PBTSRBRALVPBLX-SFHVURJKSA-N 0 1 393.478 3.009 20 0 GGADMN COc1cc(C(=O)N2CCN(C)CC23CCCCC3)cc(OC)c1OC(F)F ZINC000176245204 1428191536 /nfs/dbraw/zinc/19/15/36/1428191536.db2.gz KIJCCZWZXKAZHZ-UHFFFAOYSA-N 0 1 398.450 3.396 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000826519719 1428200576 /nfs/dbraw/zinc/20/05/76/1428200576.db2.gz LDMHKCVBVVHQPN-BZUAXINKSA-N 0 1 393.607 3.069 20 0 GGADMN c1nc(N2CCOCC2)sc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000180174511 1429781011 /nfs/dbraw/zinc/78/10/11/1429781011.db2.gz KHCNILIVFQBAOG-IBGZPJMESA-N 0 1 387.549 3.203 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc3cnn(CC)c3c2)c1 ZINC000180175794 1429782249 /nfs/dbraw/zinc/78/22/49/1429782249.db2.gz QCVRORMLDNEGGY-UHFFFAOYSA-N 0 1 391.424 3.173 20 0 GGADMN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826330608 1429782121 /nfs/dbraw/zinc/78/21/21/1429782121.db2.gz ALJIXQSTVIQUFY-LBPRGKRZSA-N 0 1 395.417 3.490 20 0 GGADMN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824394323 1429782649 /nfs/dbraw/zinc/78/26/49/1429782649.db2.gz XNTLGPUBCINRIG-UONOGXRCSA-N 0 1 386.500 3.137 20 0 GGADMN CC(C)(O)CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000180213798 1429803497 /nfs/dbraw/zinc/80/34/97/1429803497.db2.gz YKCZJMVVWSTKJJ-UHFFFAOYSA-N 0 1 378.419 3.500 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCCCCCCO)nc1 ZINC000180220454 1429805550 /nfs/dbraw/zinc/80/55/50/1429805550.db2.gz MHROZBWXKNPMPW-UHFFFAOYSA-N 0 1 385.436 3.125 20 0 GGADMN CCC[C@@H]1CN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1CCOC ZINC000180221333 1429806046 /nfs/dbraw/zinc/80/60/46/1429806046.db2.gz GFSVOLNKJSXCIZ-VQIMIIECSA-N 0 1 397.922 3.017 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180223263 1429806482 /nfs/dbraw/zinc/80/64/82/1429806482.db2.gz FVVZNCKFFVWNRS-QGZVFWFLSA-N 0 1 389.503 3.438 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180223248 1429806494 /nfs/dbraw/zinc/80/64/94/1429806494.db2.gz FVVZNCKFFVWNRS-KRWDZBQOSA-N 0 1 389.503 3.438 20 0 GGADMN COc1ccc([C@H](C)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000180224134 1429807018 /nfs/dbraw/zinc/80/70/18/1429807018.db2.gz MRQAFPSYHOQVIK-AUSIDOKSSA-N 0 1 393.531 3.222 20 0 GGADMN Cn1cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000180226108 1429807428 /nfs/dbraw/zinc/80/74/28/1429807428.db2.gz MUHBYRLDXTZBNB-UHFFFAOYSA-N 0 1 389.908 3.304 20 0 GGADMN COC[C@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000180233546 1429809808 /nfs/dbraw/zinc/80/98/08/1429809808.db2.gz STHSXAFPIDPRMF-XIKOKIGWSA-N 0 1 384.448 3.375 20 0 GGADMN COCCOCCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180234465 1429810246 /nfs/dbraw/zinc/81/02/46/1429810246.db2.gz GHCZLOFHLCEKGD-LJQANCHMSA-N 0 1 397.924 3.086 20 0 GGADMN CCc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180249739 1429814665 /nfs/dbraw/zinc/81/46/65/1429814665.db2.gz CEWQJHFOVKJPSN-HNNXBMFYSA-N 0 1 380.414 3.006 20 0 GGADMN COc1ccc(-n2nc(C(=O)N3CCN(C4CCCCC4)CC3)cc2C)cc1 ZINC000180252929 1429815503 /nfs/dbraw/zinc/81/55/03/1429815503.db2.gz QRRKMXUNTJUPAS-UHFFFAOYSA-N 0 1 382.508 3.280 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180252842 1429815709 /nfs/dbraw/zinc/81/57/09/1429815709.db2.gz NPJJRVQRQPHWHU-UHFFFAOYSA-N 0 1 379.508 3.383 20 0 GGADMN CC(C)c1ccc([C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(C)C)cc1 ZINC000735924118 1429819685 /nfs/dbraw/zinc/81/96/85/1429819685.db2.gz QLXQCVIPAGYTCP-BEFAXECRSA-N 0 1 394.527 3.215 20 0 GGADMN O=C(CCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OCc1ccccc1 ZINC000180268557 1429819695 /nfs/dbraw/zinc/81/96/95/1429819695.db2.gz NBYNYOUKCPHHAM-UHFFFAOYSA-N 0 1 396.403 3.115 20 0 GGADMN CCC1(CC)[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)[C@H](C)[C@@H]1OC ZINC000180279059 1429822625 /nfs/dbraw/zinc/82/26/25/1429822625.db2.gz JBABZNCZQGKUJD-DBVUQKKJSA-N 0 1 388.556 3.185 20 0 GGADMN CC[C@@H](OC1CCCCC1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180284779 1429824556 /nfs/dbraw/zinc/82/45/56/1429824556.db2.gz JVMOORWYDGIXMA-OAQYLSRUSA-N 0 1 380.573 3.465 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180285800 1429824882 /nfs/dbraw/zinc/82/48/82/1429824882.db2.gz UVZQKNADGSIHGB-GOSISDBHSA-N 0 1 376.516 3.355 20 0 GGADMN COc1ccc(Cl)cc1CC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180287053 1429825267 /nfs/dbraw/zinc/82/52/67/1429825267.db2.gz JWVCTEKRZXFSBA-UHFFFAOYSA-N 0 1 394.943 3.242 20 0 GGADMN CC(C)Oc1cccc(CC(=O)N2CCC(CCCN3CCOCC3)CC2)c1 ZINC000180290324 1429826373 /nfs/dbraw/zinc/82/63/73/1429826373.db2.gz NPCUFHOXWPEXAV-UHFFFAOYSA-N 0 1 388.552 3.367 20 0 GGADMN O=C(c1cc(-c2ccccc2)no1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180290467 1429826414 /nfs/dbraw/zinc/82/64/14/1429826414.db2.gz LUZDNCWJKUHALD-UHFFFAOYSA-N 0 1 383.492 3.306 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1nnc[nH]1 ZINC000180295781 1429828069 /nfs/dbraw/zinc/82/80/69/1429828069.db2.gz COMBGOUSKVFPGE-NSHDSACASA-N 0 1 390.875 3.403 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC(CCCN4CCOCC4)CC3)[nH]n2)cc1 ZINC000180295412 1429828175 /nfs/dbraw/zinc/82/81/75/1429828175.db2.gz NADWGFXCFXXBQU-UHFFFAOYSA-N 0 1 396.535 3.350 20 0 GGADMN Cc1c(C(=O)N2CCC(CCCN3CCOCC3)CC2)cnn1-c1ccccc1 ZINC000180299439 1429829283 /nfs/dbraw/zinc/82/92/83/1429829283.db2.gz JDANHYVKTHRTHL-UHFFFAOYSA-N 0 1 396.535 3.145 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1 ZINC000180300749 1429829432 /nfs/dbraw/zinc/82/94/32/1429829432.db2.gz CVOVQIIFIDCNRZ-FGZHOGPDSA-N 0 1 397.494 3.250 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)N1CCCCC1 ZINC000180300114 1429829466 /nfs/dbraw/zinc/82/94/66/1429829466.db2.gz ATQRPADKMZNOKV-KKSFZXQISA-N 0 1 389.515 3.164 20 0 GGADMN COc1cc(Cl)ccc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180302648 1429830319 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O=C(CCc1cccc(F)c1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312647 1429833471 /nfs/dbraw/zinc/83/34/71/1429833471.db2.gz MKYRASUPFATBIT-UHFFFAOYSA-N 0 1 380.479 3.248 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312205 1429833524 /nfs/dbraw/zinc/83/35/24/1429833524.db2.gz ILCOQRWGIIYSHZ-RBUKOAKNSA-N 0 1 392.490 3.419 20 0 GGADMN O=C(c1cnc(-c2ccccc2)nc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180313159 1429833810 /nfs/dbraw/zinc/83/38/10/1429833810.db2.gz GXXVDSFVRZBOIX-UHFFFAOYSA-N 0 1 394.519 3.108 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000180313299 1429833953 /nfs/dbraw/zinc/83/39/53/1429833953.db2.gz FSQXIQMRPVUNNY-WMZOPIPTSA-N 0 1 386.492 3.429 20 0 GGADMN COc1ccc(SCC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180314115 1429834268 /nfs/dbraw/zinc/83/42/68/1429834268.db2.gz LVVLXRVSTLJMHP-UHFFFAOYSA-N 0 1 392.565 3.138 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000180316134 1429834814 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GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(C)c(O)c1 ZINC000180347311 1429841776 /nfs/dbraw/zinc/84/17/76/1429841776.db2.gz VENQZADFGYMMCY-UHFFFAOYSA-N 0 1 383.492 3.032 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826208514 1429843075 /nfs/dbraw/zinc/84/30/75/1429843075.db2.gz OFTSBXWNMMOOIN-CXAGYDPISA-N 0 1 398.898 3.458 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC[C@H]1CCO ZINC000180353155 1429843592 /nfs/dbraw/zinc/84/35/92/1429843592.db2.gz USNKVAYYSROSAV-RBUKOAKNSA-N 0 1 379.932 3.423 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2nncs2)ccc1OCCC(C)C ZINC000180355799 1429844622 /nfs/dbraw/zinc/84/46/22/1429844622.db2.gz ZVTKQADZIHLVLP-ZDUSSCGKSA-N 0 1 378.498 3.261 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)nn1-c1ccccc1Cl ZINC000180356672 1429844960 /nfs/dbraw/zinc/84/49/60/1429844960.db2.gz ORHXBBVWRBPHMP-HZPDHXFCSA-N 0 1 390.915 3.063 20 0 GGADMN CC[C@H](C)Oc1cc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)ccn1 ZINC000180359398 1429845800 /nfs/dbraw/zinc/84/58/00/1429845800.db2.gz MJCBBMJPXICUCE-KRWDZBQOSA-N 0 1 397.523 3.118 20 0 GGADMN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000180359517 1429845885 /nfs/dbraw/zinc/84/58/85/1429845885.db2.gz ZWYJCCZCCWVTMD-UHFFFAOYSA-N 0 1 392.425 3.305 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2cc(C)nn2C)ccc1OCCC(C)C ZINC000180361822 1429846404 /nfs/dbraw/zinc/84/64/04/1429846404.db2.gz KTMROQHEPXFWFQ-MRXNPFEDSA-N 0 1 388.512 3.451 20 0 GGADMN CC[C@@H](C)Oc1cc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)ccn1 ZINC000180366848 1429848032 /nfs/dbraw/zinc/84/80/32/1429848032.db2.gz QYSLORNJEWTDBR-QGZVFWFLSA-N 0 1 397.523 3.118 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180366716 1429848090 /nfs/dbraw/zinc/84/80/90/1429848090.db2.gz MJLSKHWNLRXPPM-HXUWFJFHSA-N 0 1 398.482 3.398 20 0 GGADMN COc1ccc(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)cc1Br ZINC000737096466 1429848714 /nfs/dbraw/zinc/84/87/14/1429848714.db2.gz VBTIODIHOVLEGO-UHFFFAOYSA-N 0 1 389.257 3.262 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(C)c1F)N1CCCC1 ZINC000180374800 1429849919 /nfs/dbraw/zinc/84/99/19/1429849919.db2.gz IAJQMNUIFIVQCT-SFHVURJKSA-N 0 1 399.466 3.035 20 0 GGADMN C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180376994 1429850478 /nfs/dbraw/zinc/85/04/78/1429850478.db2.gz FSYGTELTWWVDNN-CYBMUJFWSA-N 0 1 379.092 3.264 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3cccc(C)c3)[nH]2)c1 ZINC000180380209 1429851428 /nfs/dbraw/zinc/85/14/28/1429851428.db2.gz TWPHDIOFPPILKW-UHFFFAOYSA-N 0 1 379.416 3.498 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccc(C)cc3)[nH]2)c1 ZINC000180380409 1429851734 /nfs/dbraw/zinc/85/17/34/1429851734.db2.gz KJUUDUDULMTMFV-UHFFFAOYSA-N 0 1 379.416 3.498 20 0 GGADMN O=C(CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)NCC1CC1 ZINC000180389503 1429853983 /nfs/dbraw/zinc/85/39/83/1429853983.db2.gz YVTWRHWMTKABKH-AWEZNQCLSA-N 0 1 384.320 3.174 20 0 GGADMN C[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736297386 1429855301 /nfs/dbraw/zinc/85/53/01/1429855301.db2.gz LQYFXKJRXYGHLL-CYBMUJFWSA-N 0 1 396.882 3.296 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2CNCC(=O)NCC2CC2)cc1 ZINC000180396825 1429856669 /nfs/dbraw/zinc/85/66/69/1429856669.db2.gz UKFKKGZOZJBILQ-UHFFFAOYSA-N 0 1 390.487 3.164 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1F)c1ccsc1 ZINC000180406140 1429859491 /nfs/dbraw/zinc/85/94/91/1429859491.db2.gz LOWSTKZJBLCTMW-INIZCTEOSA-N 0 1 377.485 3.333 20 0 GGADMN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000180412352 1429861537 /nfs/dbraw/zinc/86/15/37/1429861537.db2.gz LYFMSHJBBPZHOO-INIZCTEOSA-N 0 1 398.532 3.188 20 0 GGADMN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180415092 1429862770 /nfs/dbraw/zinc/86/27/70/1429862770.db2.gz SVAAMVAGBNBSEY-AWEZNQCLSA-N 0 1 387.480 3.481 20 0 GGADMN CN(C)[C@H](CNC(=O)N(Cc1ccccc1)CC(C)(C)O)c1ccc(F)cc1 ZINC000180427786 1429867056 /nfs/dbraw/zinc/86/70/56/1429867056.db2.gz QSNMKQGCYZKDSF-HXUWFJFHSA-N 0 1 387.499 3.411 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCCC[C@@H]1CCO)N1CCCCC1 ZINC000180427556 1429867110 /nfs/dbraw/zinc/86/71/10/1429867110.db2.gz GUTMFQCKMDKYAD-UYAOXDASSA-N 0 1 389.540 3.169 20 0 GGADMN CCc1c(Cl)nc(C)nc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000180431425 1429867916 /nfs/dbraw/zinc/86/79/16/1429867916.db2.gz HIPIGHNYOGHPKW-UHFFFAOYSA-N 0 1 380.842 3.092 20 0 GGADMN Cc1ncsc1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000180438858 1429869828 /nfs/dbraw/zinc/86/98/28/1429869828.db2.gz UKGHRYYNRBYHGR-UHFFFAOYSA-N 0 1 393.266 3.280 20 0 GGADMN Cc1ncsc1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000180438858 1429869831 /nfs/dbraw/zinc/86/98/31/1429869831.db2.gz UKGHRYYNRBYHGR-UHFFFAOYSA-N 0 1 393.266 3.280 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1OC ZINC000180441544 1429870261 /nfs/dbraw/zinc/87/02/61/1429870261.db2.gz GUYBKNBPVLNFCS-ROUUACIJSA-N 0 1 396.531 3.445 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@H](O)c1ccc(C)cc1 ZINC000180444055 1429870870 /nfs/dbraw/zinc/87/08/70/1429870870.db2.gz COLVKKNKAMCLBO-FQEVSTJZSA-N 0 1 379.460 3.181 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H](O)c1ccc(C)cc1 ZINC000180444075 1429871032 /nfs/dbraw/zinc/87/10/32/1429871032.db2.gz COLVKKNKAMCLBO-HXUWFJFHSA-N 0 1 379.460 3.181 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCC(C)(C)C ZINC000180448077 1429871888 /nfs/dbraw/zinc/87/18/88/1429871888.db2.gz AYIWQPAHLINEGF-YOFSQIOKSA-N 0 1 385.552 3.306 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000180457549 1429874001 /nfs/dbraw/zinc/87/40/01/1429874001.db2.gz XBRNMEVOFSJWAY-RBUKOAKNSA-N 0 1 379.476 3.474 20 0 GGADMN COc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1OCc1cccnc1 ZINC000180457481 1429874016 /nfs/dbraw/zinc/87/40/16/1429874016.db2.gz VXZTYENVYKQDIK-RXVVDRJESA-N 0 1 386.517 3.376 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C1CC1)C1CC1 ZINC000180463575 1429874999 /nfs/dbraw/zinc/87/49/99/1429874999.db2.gz BFMFCJKPUOJBKR-WCRBZPEASA-N 0 1 395.547 3.059 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000180465386 1429875603 /nfs/dbraw/zinc/87/56/03/1429875603.db2.gz PAPYIMWWFSSQRV-QGZVFWFLSA-N 0 1 376.522 3.244 20 0 GGADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(Cl)c1[O-] ZINC000180470682 1429876969 /nfs/dbraw/zinc/87/69/69/1429876969.db2.gz PBYOSQWEIBQXAW-MRXNPFEDSA-N 0 1 392.858 3.071 20 0 GGADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(Cl)c1[O-] ZINC000180470704 1429877173 /nfs/dbraw/zinc/87/71/73/1429877173.db2.gz PBYOSQWEIBQXAW-INIZCTEOSA-N 0 1 392.858 3.071 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000180474697 1429877832 /nfs/dbraw/zinc/87/78/32/1429877832.db2.gz ZTSUJJVCSKPEJF-QGZVFWFLSA-N 0 1 376.522 3.244 20 0 GGADMN CC(C)n1cc(CN2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cn1 ZINC000180472811 1429877873 /nfs/dbraw/zinc/87/78/73/1429877873.db2.gz OJNJBVAILKCKAP-UHFFFAOYSA-N 0 1 380.533 3.360 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@@H]1COC2(CCCCC2)O1)c1ccco1 ZINC000180486458 1429880762 /nfs/dbraw/zinc/88/07/62/1429880762.db2.gz GSLHFSYBINVYBA-IAGOWNOFSA-N 0 1 379.501 3.038 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCc3ccc4ccccc4c3)C2)CC1 ZINC000180495649 1429882286 /nfs/dbraw/zinc/88/22/86/1429882286.db2.gz WFNHYAPOHNKNEN-HSZRJFAPSA-N 0 1 379.548 3.401 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCCc3ccc4ccccc4c3)C2)CC1 ZINC000180495665 1429882326 /nfs/dbraw/zinc/88/23/26/1429882326.db2.gz WFNHYAPOHNKNEN-QHCPKHFHSA-N 0 1 379.548 3.401 20 0 GGADMN Cc1nsc(N2CCCN(Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000180504808 1429884764 /nfs/dbraw/zinc/88/47/64/1429884764.db2.gz FECRCHVWXVARHK-UHFFFAOYSA-N 0 1 397.342 3.335 20 0 GGADMN Fc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826374955 1429885161 /nfs/dbraw/zinc/88/51/61/1429885161.db2.gz UCLANFAZMHSCQS-HXUWFJFHSA-N 0 1 380.471 3.323 20 0 GGADMN Fc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826374955 1429885171 /nfs/dbraw/zinc/88/51/71/1429885171.db2.gz UCLANFAZMHSCQS-HXUWFJFHSA-N 0 1 380.471 3.323 20 0 GGADMN Fc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826374955 1429885180 /nfs/dbraw/zinc/88/51/80/1429885180.db2.gz UCLANFAZMHSCQS-HXUWFJFHSA-N 0 1 380.471 3.323 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2nccn2C(F)F)CCN1Cc1ccccc1 ZINC000180516743 1429887718 /nfs/dbraw/zinc/88/77/18/1429887718.db2.gz KUPOWFPDSMPBPS-QGZVFWFLSA-N 0 1 391.466 3.474 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2F)N2CCCC2)cc1 ZINC000180523646 1429889337 /nfs/dbraw/zinc/88/93/37/1429889337.db2.gz FIKGYJWDTFNOTP-LJQANCHMSA-N 0 1 383.467 3.334 20 0 GGADMN CCO[C@H](C)c1noc(CN2CCN(C[C@@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000180524805 1429889743 /nfs/dbraw/zinc/88/97/43/1429889743.db2.gz JDJQCGWUXURHCQ-IAGOWNOFSA-N 0 1 388.512 3.097 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000180525939 1429889974 /nfs/dbraw/zinc/88/99/74/1429889974.db2.gz LRHQXBOHVRWEEH-HOTGVXAUSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000180525980 1429890089 /nfs/dbraw/zinc/89/00/89/1429890089.db2.gz LRHQXBOHVRWEEH-JKSUJKDBSA-N 0 1 379.460 3.272 20 0 GGADMN CCc1cc(NC(=O)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)ccc1C ZINC000180528943 1429890663 /nfs/dbraw/zinc/89/06/63/1429890663.db2.gz SFUDFDKUKURNAY-UHFFFAOYSA-N 0 1 397.494 3.416 20 0 GGADMN COc1cc(CN2CC[C@@H](NC(=O)Cc3c(C)cccc3C)C2)cc(OC)c1 ZINC000180530917 1429891459 /nfs/dbraw/zinc/89/14/59/1429891459.db2.gz WVRAARGWSCXPTD-LJQANCHMSA-N 0 1 382.504 3.254 20 0 GGADMN O=C1NCCN1Cc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000180533409 1429892211 /nfs/dbraw/zinc/89/22/11/1429892211.db2.gz MIBSCBJXYPCILS-UHFFFAOYSA-N 0 1 399.394 3.031 20 0 GGADMN CCCn1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cn1 ZINC000180560700 1429897824 /nfs/dbraw/zinc/89/78/24/1429897824.db2.gz IZIPBDXNHWOPGI-UHFFFAOYSA-N 0 1 375.904 3.341 20 0 GGADMN Cc1ccc(-c2noc(CCCN3CCCN(CC(F)F)CC3)n2)cc1F ZINC000180564230 1429898960 /nfs/dbraw/zinc/89/89/60/1429898960.db2.gz QMEVQKLZWPMUIU-UHFFFAOYSA-N 0 1 382.430 3.390 20 0 GGADMN C[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824605565 1429899746 /nfs/dbraw/zinc/89/97/46/1429899746.db2.gz KGXRXUGYHVXPEL-CQSZACIVSA-N 0 1 377.427 3.085 20 0 GGADMN Cc1cc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cnc1Cl ZINC000826266562 1429900378 /nfs/dbraw/zinc/90/03/78/1429900378.db2.gz SXUPNNICXOAVNS-UHFFFAOYSA-N 0 1 384.871 3.267 20 0 GGADMN CC(C)c1csc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824353086 1429902727 /nfs/dbraw/zinc/90/27/27/1429902727.db2.gz XJHLNOKMYGFIQD-UHFFFAOYSA-N 0 1 394.508 3.137 20 0 GGADMN C[C@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@H](c2ccsc2)O1 ZINC000825000393 1429903125 /nfs/dbraw/zinc/90/31/25/1429903125.db2.gz PNZZQILRNZNYLM-YVEFUNNKSA-N 0 1 382.493 3.168 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 ZINC000180573233 1429903723 /nfs/dbraw/zinc/90/37/23/1429903723.db2.gz UMUBEPWOTXPXNL-GOSISDBHSA-N 0 1 397.519 3.064 20 0 GGADMN C[C@@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000825000390 1429909817 /nfs/dbraw/zinc/90/98/17/1429909817.db2.gz PNZZQILRNZNYLM-PXAZEXFGSA-N 0 1 382.493 3.168 20 0 GGADMN Cn1cc([C@H](NCCNc2nccc(C(F)(F)F)n2)c2cccc(F)c2)cn1 ZINC000180581271 1429910766 /nfs/dbraw/zinc/91/07/66/1429910766.db2.gz ZFRJPDAPBHPMAL-MRXNPFEDSA-N 0 1 394.376 3.159 20 0 GGADMN Cc1ccnc(N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826312731 1429915712 /nfs/dbraw/zinc/91/57/12/1429915712.db2.gz NAVGHEPINVYNTN-WMZOPIPTSA-N 0 1 399.449 3.484 20 0 GGADMN Cc1ccc(F)c(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826289356 1429915756 /nfs/dbraw/zinc/91/57/56/1429915756.db2.gz WXXMGPDOZWDRIJ-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccc(F)c(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826289356 1429915758 /nfs/dbraw/zinc/91/57/58/1429915758.db2.gz WXXMGPDOZWDRIJ-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccc(F)c(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826289356 1429915760 /nfs/dbraw/zinc/91/57/60/1429915760.db2.gz WXXMGPDOZWDRIJ-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000180591973 1429918219 /nfs/dbraw/zinc/91/82/19/1429918219.db2.gz OTELAWNWQLIDTN-KRWDZBQOSA-N 0 1 397.519 3.058 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000180592425 1429918669 /nfs/dbraw/zinc/91/86/69/1429918669.db2.gz WFMGHSWUACTXES-HXUWFJFHSA-N 0 1 398.482 3.398 20 0 GGADMN O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCCCN1Cc1ccccc1 ZINC000738232502 1429920642 /nfs/dbraw/zinc/92/06/42/1429920642.db2.gz RKLFMWYICAYHTK-LJQANCHMSA-N 0 1 395.438 3.104 20 0 GGADMN O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000738232502 1429920652 /nfs/dbraw/zinc/92/06/52/1429920652.db2.gz RKLFMWYICAYHTK-LJQANCHMSA-N 0 1 395.438 3.104 20 0 GGADMN O=C(OCc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738232502 1429920663 /nfs/dbraw/zinc/92/06/63/1429920663.db2.gz RKLFMWYICAYHTK-LJQANCHMSA-N 0 1 395.438 3.104 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1OC ZINC000180596153 1429921136 /nfs/dbraw/zinc/92/11/36/1429921136.db2.gz LBUMPFXZRCQDRY-KXBFYZLASA-N 0 1 388.483 3.441 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000736133436 1429924864 /nfs/dbraw/zinc/92/48/64/1429924864.db2.gz GWRNPTNXNXKRBI-QRWLVFNGSA-N 0 1 379.464 3.103 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180604443 1429928303 /nfs/dbraw/zinc/92/83/03/1429928303.db2.gz AFMQJAHCOYLFFG-ZFWWWQNUSA-N 0 1 387.402 3.351 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3cnc(C)n3-c3ccccc3)CC2)n1 ZINC000180606319 1429929301 /nfs/dbraw/zinc/92/93/01/1429929301.db2.gz DDPBQCXRVKAJPA-UHFFFAOYSA-N 0 1 392.507 3.082 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180609123 1429931714 /nfs/dbraw/zinc/93/17/14/1429931714.db2.gz GHEXCIDBXKSENO-UHFFFAOYSA-N 0 1 379.342 3.037 20 0 GGADMN CSC[C@@H](CCO)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180611159 1429932188 /nfs/dbraw/zinc/93/21/88/1429932188.db2.gz ZIOAHFKQPNACGK-UYAOXDASSA-N 0 1 393.574 3.192 20 0 GGADMN CSC[C@H](CCO)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180611109 1429932392 /nfs/dbraw/zinc/93/23/92/1429932392.db2.gz ZIOAHFKQPNACGK-ICSRJNTNSA-N 0 1 393.574 3.192 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@@H](C)c2cn(C)nc2C)CCN1Cc1ccccc1 ZINC000180618623 1429936320 /nfs/dbraw/zinc/93/63/20/1429936320.db2.gz AUTLMNFBPPWJKN-PXNSSMCTSA-N 0 1 383.540 3.486 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccn(-c3ccc(F)cc3C)n2)N(C)C)c1 ZINC000180628373 1429941113 /nfs/dbraw/zinc/94/11/13/1429941113.db2.gz YCVKNFNAWOFXIC-OAQYLSRUSA-N 0 1 396.466 3.361 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180629899 1429942392 /nfs/dbraw/zinc/94/23/92/1429942392.db2.gz UGIMRXXNHYQQHK-IBGZPJMESA-N 0 1 393.553 3.207 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180633204 1429945059 /nfs/dbraw/zinc/94/50/59/1429945059.db2.gz FJJCMSQMDMZQFS-FQEVSTJZSA-N 0 1 398.503 3.351 20 0 GGADMN O=C([N-]CCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000180641716 1429949850 /nfs/dbraw/zinc/94/98/50/1429949850.db2.gz GWWAJVMVXMBQIL-UHFFFAOYSA-N 0 1 387.229 3.246 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](C)C2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737045908 1429950440 /nfs/dbraw/zinc/95/04/40/1429950440.db2.gz SSFCUOKBWWWNAB-HNNXBMFYSA-N 0 1 379.464 3.296 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000180643312 1429950721 /nfs/dbraw/zinc/95/07/21/1429950721.db2.gz SKSQFJCVDKWYBO-MRXNPFEDSA-N 0 1 386.496 3.397 20 0 GGADMN CC[C@H](NCC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000180643299 1429951180 /nfs/dbraw/zinc/95/11/80/1429951180.db2.gz SKSQFJCVDKWYBO-INIZCTEOSA-N 0 1 386.496 3.397 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(COCCOc2ccccc2)c1)c1nnc[nH]1 ZINC000180644936 1429952013 /nfs/dbraw/zinc/95/20/13/1429952013.db2.gz KHSCDVZPGQAPHQ-OAHLLOKOSA-N 0 1 381.436 3.283 20 0 GGADMN CCC[C@H]1CN(C(=O)NCC(C)(C)C[C@@H](C)O)CCN1Cc1ccccc1 ZINC000180646191 1429952712 /nfs/dbraw/zinc/95/27/12/1429952712.db2.gz RJOPDXXPAIPMPY-QUCCMNQESA-N 0 1 375.557 3.480 20 0 GGADMN CCOc1cc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc(Cl)c1OC ZINC000180647593 1429953849 /nfs/dbraw/zinc/95/38/49/1429953849.db2.gz OBCAGBVKKSUERI-QAPCUYQASA-N 0 1 393.915 3.426 20 0 GGADMN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180648518 1429954434 /nfs/dbraw/zinc/95/44/34/1429954434.db2.gz SAUHHOUNYYJFER-VQIMIIECSA-N 0 1 385.899 3.205 20 0 GGADMN Cc1ccc(-c2nc(CCNc3[nH+]c(C)cc(C)c3-c3nnn[n-]3)co2)cc1 ZINC000737289836 1429955561 /nfs/dbraw/zinc/95/55/61/1429955561.db2.gz XSKCXLLZUQNLKK-UHFFFAOYSA-N 0 1 375.436 3.497 20 0 GGADMN COc1cc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc(Cl)c1OC ZINC000180650390 1429955510 /nfs/dbraw/zinc/95/55/10/1429955510.db2.gz SCDUPKCWPCJAPI-WMLDXEAASA-N 0 1 379.888 3.036 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)n1 ZINC000180649578 1429955723 /nfs/dbraw/zinc/95/57/23/1429955723.db2.gz CTVQYDYLBHXNIW-UHFFFAOYSA-N 0 1 392.394 3.366 20 0 GGADMN COc1ccc([C@@H](NCc2cccc(OCC(N)=O)c2)c2ccccc2)cc1 ZINC000180650086 1429955795 /nfs/dbraw/zinc/95/57/95/1429955795.db2.gz LVRMYDHFMQZQCT-QHCPKHFHSA-N 0 1 376.456 3.439 20 0 GGADMN Clc1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)nc1-c1nnn[n-]1 ZINC000826352050 1429959921 /nfs/dbraw/zinc/95/99/21/1429959921.db2.gz LGCHDDDKXULNHU-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000180658961 1429960964 /nfs/dbraw/zinc/96/09/64/1429960964.db2.gz SOXBWWIKRMBVQC-HKUYNNGSSA-N 0 1 375.513 3.438 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000180665988 1429964894 /nfs/dbraw/zinc/96/48/94/1429964894.db2.gz BKOHQYSTRUUDAJ-RBUKOAKNSA-N 0 1 381.520 3.379 20 0 GGADMN COC(=O)CC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000180669746 1429966575 /nfs/dbraw/zinc/96/65/75/1429966575.db2.gz QYDMAQGHWYYFSW-KXBFYZLASA-N 0 1 375.490 3.435 20 0 GGADMN CCC[C@H]1CN(C(=O)NCc2c(C)nn(C)c2C)CCN1Cc1ccccc1 ZINC000180673085 1429968354 /nfs/dbraw/zinc/96/83/54/1429968354.db2.gz BMLYOIKFBKFFFM-FQEVSTJZSA-N 0 1 383.540 3.233 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000180677331 1429970540 /nfs/dbraw/zinc/97/05/40/1429970540.db2.gz YFSUQKVXQNQAML-OAHLLOKOSA-N 0 1 377.489 3.072 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCCC(=O)Nc2cccc(Cl)c2C)[nH+]1 ZINC000737239614 1429973210 /nfs/dbraw/zinc/97/32/10/1429973210.db2.gz DQGMJTJPJYYIDC-UHFFFAOYSA-N 0 1 385.859 3.281 20 0 GGADMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000180684561 1429975716 /nfs/dbraw/zinc/97/57/16/1429975716.db2.gz OSOBXLRFOKKHRH-HNNXBMFYSA-N 0 1 389.521 3.222 20 0 GGADMN CC[C@H](CSC)N(C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000180684580 1429975937 /nfs/dbraw/zinc/97/59/37/1429975937.db2.gz OSOBXLRFOKKHRH-OAHLLOKOSA-N 0 1 389.521 3.222 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)c3cnn(C)c3C)CCN2C2CC2)c1 ZINC000180685039 1429976101 /nfs/dbraw/zinc/97/61/01/1429976101.db2.gz RQPRBGFBPDLAKA-PUCZYUMASA-N 0 1 397.523 3.075 20 0 GGADMN C[N@@H+](CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000736800192 1429977225 /nfs/dbraw/zinc/97/72/25/1429977225.db2.gz JQMBMQXTSGTZFY-UHFFFAOYSA-N 0 1 391.401 3.215 20 0 GGADMN C[N@H+](CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000736800192 1429977229 /nfs/dbraw/zinc/97/72/29/1429977229.db2.gz JQMBMQXTSGTZFY-UHFFFAOYSA-N 0 1 391.401 3.215 20 0 GGADMN C[N@@H+](CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000736800192 1429977232 /nfs/dbraw/zinc/97/72/32/1429977232.db2.gz JQMBMQXTSGTZFY-UHFFFAOYSA-N 0 1 391.401 3.215 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000180693196 1429980478 /nfs/dbraw/zinc/98/04/78/1429980478.db2.gz DSQGYTJBWOQAFZ-QGZVFWFLSA-N 0 1 395.503 3.179 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000180696284 1429982165 /nfs/dbraw/zinc/98/21/65/1429982165.db2.gz XXKRITUCAOBTEU-LBPRGKRZSA-N 0 1 387.505 3.024 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1OCc1cccnc1 ZINC000825977099 1429982431 /nfs/dbraw/zinc/98/24/31/1429982431.db2.gz WUQWTBYKVDMCKP-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000180696432 1429983208 /nfs/dbraw/zinc/98/32/08/1429983208.db2.gz LSUMPOUVQMGERO-GOSISDBHSA-N 0 1 375.904 3.389 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000736195294 1429984792 /nfs/dbraw/zinc/98/47/92/1429984792.db2.gz FVMWURYXWBJBHT-AWEZNQCLSA-N 0 1 396.882 3.039 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736236917 1429989114 /nfs/dbraw/zinc/98/91/14/1429989114.db2.gz UCCWZKTXXSWXBB-WBVHZDCISA-N 0 1 380.471 3.495 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736236917 1429989117 /nfs/dbraw/zinc/98/91/17/1429989117.db2.gz UCCWZKTXXSWXBB-WBVHZDCISA-N 0 1 380.471 3.495 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000736236917 1429989119 /nfs/dbraw/zinc/98/91/19/1429989119.db2.gz UCCWZKTXXSWXBB-WBVHZDCISA-N 0 1 380.471 3.495 20 0 GGADMN O=C([N-]CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)C(F)(F)F ZINC000180706954 1429989693 /nfs/dbraw/zinc/98/96/93/1429989693.db2.gz QWXDVXXQQBJTSL-ZIAGYGMSSA-N 0 1 378.460 3.485 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)C(F)(F)F ZINC000180706954 1429989703 /nfs/dbraw/zinc/98/97/03/1429989703.db2.gz QWXDVXXQQBJTSL-ZIAGYGMSSA-N 0 1 378.460 3.485 20 0 GGADMN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000180710355 1429992532 /nfs/dbraw/zinc/99/25/32/1429992532.db2.gz GCNPVFMDPOMKRG-UHFFFAOYSA-N 0 1 394.450 3.177 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000180716727 1429997255 /nfs/dbraw/zinc/99/72/55/1429997255.db2.gz MOSRJISTESZTBF-IIBYNOLFSA-N 0 1 386.467 3.475 20 0 GGADMN C[C@H]1CSCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825012341 1429997532 /nfs/dbraw/zinc/99/75/32/1429997532.db2.gz HNPQWMLDZMHMQZ-HNNXBMFYSA-N 0 1 381.505 3.383 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736413483 1429999229 /nfs/dbraw/zinc/99/92/29/1429999229.db2.gz YYRWVCGAVULNDE-LJQANCHMSA-N 0 1 376.464 3.205 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H]3CCN(c4ccccc4Cl)C3=O)c(C)n2n1 ZINC000180726297 1430001973 /nfs/dbraw/zinc/00/19/73/1430001973.db2.gz IIIPZFNVGHLEAF-DYVFJYSZSA-N 0 1 383.883 3.456 20 0 GGADMN O=S(=O)(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c(F)cc(F)cc1F ZINC000180729191 1430004233 /nfs/dbraw/zinc/00/42/33/1430004233.db2.gz WGFGXFIHSWGLBT-LSDHHAIUSA-N 0 1 393.333 3.191 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547138 1430005678 /nfs/dbraw/zinc/00/56/78/1430005678.db2.gz MVGHYSZJBHKVOM-RQUSPXKASA-N 0 1 384.434 3.241 20 0 GGADMN CC(C)n1cc([C@@H](C)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000180734606 1430007158 /nfs/dbraw/zinc/00/71/58/1430007158.db2.gz OPIACBDUPWYXFJ-MRXNPFEDSA-N 0 1 389.931 3.117 20 0 GGADMN O[C@H](C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673731 1430009444 /nfs/dbraw/zinc/00/94/44/1430009444.db2.gz MYWFQXAMSAVTLA-LJQANCHMSA-N 0 1 381.867 3.343 20 0 GGADMN COC(=O)c1oc([C@H](C)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1C ZINC000180741525 1430011070 /nfs/dbraw/zinc/01/10/70/1430011070.db2.gz YVRXXXYMVQBQHF-ZDUSSCGKSA-N 0 1 375.425 3.083 20 0 GGADMN Cc1cccc2[nH]c(CCC(=O)N3CCC(CCCN4CCOCC4)CC3)nc21 ZINC000180742966 1430012522 /nfs/dbraw/zinc/01/25/22/1430012522.db2.gz YSVZOVGQXHFFMW-UHFFFAOYSA-N 0 1 398.551 3.155 20 0 GGADMN COc1ccc2[nH]cc(CC(=O)N3CCC(CCCN4CCOCC4)CC3)c2c1 ZINC000180745117 1430013948 /nfs/dbraw/zinc/01/39/48/1430013948.db2.gz LLHLDKUPNLROEF-UHFFFAOYSA-N 0 1 399.535 3.070 20 0 GGADMN CC(C)(C)c1ncc(C(=O)N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000180744800 1430013998 /nfs/dbraw/zinc/01/39/98/1430013998.db2.gz XZTSUURGQVFKRZ-UHFFFAOYSA-N 0 1 379.570 3.405 20 0 GGADMN Fc1ccc(N2CC[C@@H](CNc3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826375459 1430020185 /nfs/dbraw/zinc/02/01/85/1430020185.db2.gz OJONWWCUURRELN-AWEZNQCLSA-N 0 1 393.470 3.218 20 0 GGADMN CC(C)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297139 1430022464 /nfs/dbraw/zinc/02/24/64/1430022464.db2.gz QVHCKOKDLPITLO-PMACEKPBSA-N 0 1 398.461 3.459 20 0 GGADMN O=C(CC1CCC(C(F)(F)F)CC1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000180758415 1430022639 /nfs/dbraw/zinc/02/26/39/1430022639.db2.gz CLKZLNQANPXBFK-JDGDGYACSA-N 0 1 398.469 3.497 20 0 GGADMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000180761927 1430024592 /nfs/dbraw/zinc/02/45/92/1430024592.db2.gz XOPZTHGOFYAKMQ-LJQANCHMSA-N 0 1 397.519 3.435 20 0 GGADMN Cc1c([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)cnn1-c1ccc(F)cc1 ZINC000180763413 1430026134 /nfs/dbraw/zinc/02/61/34/1430026134.db2.gz ZYFBHZTVFPNGOC-ZBEGNZNMSA-N 0 1 384.377 3.134 20 0 GGADMN Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000180767263 1430028733 /nfs/dbraw/zinc/02/87/33/1430028733.db2.gz AFVDNRSAOSEVGP-ZWNOBZJWSA-N 0 1 384.427 3.327 20 0 GGADMN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000180767321 1430028773 /nfs/dbraw/zinc/02/87/73/1430028773.db2.gz AFVDNRSAOSEVGP-GWCFXTLKSA-N 0 1 384.427 3.327 20 0 GGADMN C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000180769879 1430029484 /nfs/dbraw/zinc/02/94/84/1430029484.db2.gz YJNMNQQIVRGDMC-KXBFYZLASA-N 0 1 381.451 3.409 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000180771630 1430030590 /nfs/dbraw/zinc/03/05/90/1430030590.db2.gz FAICWOJBBJJNTF-BEFAXECRSA-N 0 1 381.451 3.409 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000180797944 1430046323 /nfs/dbraw/zinc/04/63/23/1430046323.db2.gz OGMHFMPZSPRLTH-APWZRJJASA-N 0 1 390.915 3.402 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000180798420 1430047626 /nfs/dbraw/zinc/04/76/26/1430047626.db2.gz DGAINROMGNYCDZ-UHFFFAOYSA-N 0 1 381.236 3.428 20 0 GGADMN CC(C)(C)S(=O)(=O)CCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000180806108 1430050846 /nfs/dbraw/zinc/05/08/46/1430050846.db2.gz WEDLHUWVMPKCKQ-CQSZACIVSA-N 0 1 390.343 3.466 20 0 GGADMN CC(C)(C)S(=O)(=O)CCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000180805162 1430051051 /nfs/dbraw/zinc/05/10/51/1430051051.db2.gz UJAMMXQWUYNVBP-CQSZACIVSA-N 0 1 390.343 3.466 20 0 GGADMN CC[C@@H](CSC)NC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000180806097 1430051339 /nfs/dbraw/zinc/05/13/39/1430051339.db2.gz JKNSKVKTMXRASK-HOCLYGCPSA-N 0 1 377.554 3.243 20 0 GGADMN Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737394193 1430052429 /nfs/dbraw/zinc/05/24/29/1430052429.db2.gz PNOHFCTZLBRRKA-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN CC[C@H](C)[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825068395 1430055729 /nfs/dbraw/zinc/05/57/29/1430055729.db2.gz RCJVXZPGSNNBLC-AWEZNQCLSA-N 0 1 389.463 3.316 20 0 GGADMN CC[C@H](C)[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825068395 1430055737 /nfs/dbraw/zinc/05/57/37/1430055737.db2.gz RCJVXZPGSNNBLC-AWEZNQCLSA-N 0 1 389.463 3.316 20 0 GGADMN CSCC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC000826228454 1430058409 /nfs/dbraw/zinc/05/84/09/1430058409.db2.gz PCKRJSIXAKNRLP-XJKSGUPXSA-N 0 1 394.508 3.054 20 0 GGADMN C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824390416 1430059490 /nfs/dbraw/zinc/05/94/90/1430059490.db2.gz AFBXVMGUYSIAJV-CAYVGHNUSA-N 0 1 381.455 3.485 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180827994 1430060137 /nfs/dbraw/zinc/06/01/37/1430060137.db2.gz NUYPKRZOJOKBOZ-OAHLLOKOSA-N 0 1 380.448 3.179 20 0 GGADMN O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000823450056 1430060364 /nfs/dbraw/zinc/06/03/64/1430060364.db2.gz INDCJXQSXUFYIZ-UHFFFAOYSA-N 0 1 381.411 3.211 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000736901006 1430062276 /nfs/dbraw/zinc/06/22/76/1430062276.db2.gz HHKWRBYVXOUSEH-XLIONFOSSA-N 0 1 391.475 3.351 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000736901006 1430062282 /nfs/dbraw/zinc/06/22/82/1430062282.db2.gz HHKWRBYVXOUSEH-XLIONFOSSA-N 0 1 391.475 3.351 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)C[C@H](O)C(F)(F)F)c1 ZINC000180840200 1430065874 /nfs/dbraw/zinc/06/58/74/1430065874.db2.gz VFNJXZJKBKKLGS-SFHVURJKSA-N 0 1 380.410 3.314 20 0 GGADMN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(-n2cccn2)cc1 ZINC000180840089 1430065957 /nfs/dbraw/zinc/06/59/57/1430065957.db2.gz RWIXHFMLUFRMAC-CYBMUJFWSA-N 0 1 384.509 3.311 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000180845070 1430066834 /nfs/dbraw/zinc/06/68/34/1430066834.db2.gz PSQGBQLHHUOQBR-AWEZNQCLSA-N 0 1 384.509 3.356 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c(O)cccc1O ZINC000180854030 1430071438 /nfs/dbraw/zinc/07/14/38/1430071438.db2.gz IFLQLSKGEVGOLN-AWEZNQCLSA-N 0 1 380.366 3.121 20 0 GGADMN O=C(CN(Cc1ccccn1)C1CC1)Nc1cccc(CN2CCSCC2)c1 ZINC000180869632 1430078404 /nfs/dbraw/zinc/07/84/04/1430078404.db2.gz LXKYDUHEFYHEOB-UHFFFAOYSA-N 0 1 396.560 3.234 20 0 GGADMN Cc1cc(C)c([C@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1C ZINC000180885308 1430088488 /nfs/dbraw/zinc/08/84/88/1430088488.db2.gz MSPOYUYWDDMBTR-SFHVURJKSA-N 0 1 390.549 3.075 20 0 GGADMN Cc1c(CNCc2ccc(OC(C)(C)C)nc2)c(=O)n(-c2ccccc2)n1C ZINC000180886083 1430089400 /nfs/dbraw/zinc/08/94/00/1430089400.db2.gz CLZYILKNGIXBQI-UHFFFAOYSA-N 0 1 380.492 3.347 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccncc2)cc1 ZINC000180891913 1430093259 /nfs/dbraw/zinc/09/32/59/1430093259.db2.gz NHYHLDFSATZYNE-INIZCTEOSA-N 0 1 389.455 3.444 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000180896896 1430096115 /nfs/dbraw/zinc/09/61/15/1430096115.db2.gz KBVYCMRVIIXXNZ-HOTGVXAUSA-N 0 1 394.397 3.091 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000180896832 1430096301 /nfs/dbraw/zinc/09/63/01/1430096301.db2.gz KBVYCMRVIIXXNZ-HZPDHXFCSA-N 0 1 394.397 3.091 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000180897032 1430096338 /nfs/dbraw/zinc/09/63/38/1430096338.db2.gz IHKPQHZMAQOMSI-MEDUHNTESA-N 0 1 382.386 3.083 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826188504 1430098119 /nfs/dbraw/zinc/09/81/19/1430098119.db2.gz YVUBMSZOEAKDFC-CQSZACIVSA-N 0 1 383.452 3.004 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[nH]1 ZINC000180904846 1430099995 /nfs/dbraw/zinc/09/99/95/1430099995.db2.gz UKGZTDFRHLHPLV-UHFFFAOYSA-N 0 1 382.371 3.048 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC000180904846 1430100008 /nfs/dbraw/zinc/10/00/08/1430100008.db2.gz UKGZTDFRHLHPLV-UHFFFAOYSA-N 0 1 382.371 3.048 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(-c2ccncc2)cc1 ZINC000180904279 1430100113 /nfs/dbraw/zinc/10/01/13/1430100113.db2.gz GCAPLUCTTXYOIT-OAHLLOKOSA-N 0 1 378.432 3.018 20 0 GGADMN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180910526 1430106278 /nfs/dbraw/zinc/10/62/78/1430106278.db2.gz LMTWILHVVGGFNN-UZLBHIALSA-N 0 1 383.492 3.103 20 0 GGADMN CCc1cccc2c(CC[NH2+]Cc3ccc(OC)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000821492273 1430107243 /nfs/dbraw/zinc/10/72/43/1430107243.db2.gz JYRIJAGRYOANIK-UHFFFAOYSA-N 0 1 376.464 3.251 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000180914313 1430109524 /nfs/dbraw/zinc/10/95/24/1430109524.db2.gz JXSWQXWCCJXOMT-OXQOHEQNSA-N 0 1 396.487 3.308 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000180914331 1430109659 /nfs/dbraw/zinc/10/96/59/1430109659.db2.gz JXSWQXWCCJXOMT-JXFKEZNVSA-N 0 1 396.487 3.308 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(OC)cc3OC)C2=O)cc1 ZINC000180915158 1430111214 /nfs/dbraw/zinc/11/12/14/1430111214.db2.gz KPMHFBDJMPJLKI-QRWLVFNGSA-N 0 1 384.476 3.164 20 0 GGADMN O=C(N[C@@H]1CCCc2occc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180916469 1430112082 /nfs/dbraw/zinc/11/20/82/1430112082.db2.gz VQOYQJHHNPJESW-LJQANCHMSA-N 0 1 375.513 3.191 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cccc(NC(C)=O)c3)C2=O)cc1 ZINC000180916914 1430112491 /nfs/dbraw/zinc/11/24/91/1430112491.db2.gz OVVKSOBAQQHFTQ-YCRPNKLZSA-N 0 1 381.476 3.105 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)[NH2+][C@H](C)c1ccccc1 ZINC000820054589 1430115671 /nfs/dbraw/zinc/11/56/71/1430115671.db2.gz BZJUWIYFYGFMQD-PBHICJAKSA-N 0 1 398.536 3.424 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cn(C)nc3-c3ccccc3)[nH]c21 ZINC000180920046 1430115707 /nfs/dbraw/zinc/11/57/07/1430115707.db2.gz JEMNETREVFAGSY-UHFFFAOYSA-N 0 1 375.388 3.002 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)n[nH]1 ZINC000180922879 1430117768 /nfs/dbraw/zinc/11/77/68/1430117768.db2.gz ZLCMLDOZVNWJEE-UHFFFAOYSA-N 0 1 387.399 3.449 20 0 GGADMN CC(C)(CNC(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccccc1 ZINC000180930337 1430120440 /nfs/dbraw/zinc/12/04/40/1430120440.db2.gz YEMGYIWKQSBIDM-UHFFFAOYSA-N 0 1 387.568 3.498 20 0 GGADMN CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736335955 1430121158 /nfs/dbraw/zinc/12/11/58/1430121158.db2.gz XARLQPIVIGDMJA-UHFFFAOYSA-N 0 1 392.479 3.179 20 0 GGADMN CCCn1cc(C(=O)N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cn1 ZINC000180933116 1430122250 /nfs/dbraw/zinc/12/22/50/1430122250.db2.gz GTDUYEMEHDUFDA-UHFFFAOYSA-N 0 1 399.539 3.050 20 0 GGADMN C[C@H](Cc1cccs1)NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180937458 1430124500 /nfs/dbraw/zinc/12/45/00/1430124500.db2.gz WHUQMCDRCQCIJU-QGZVFWFLSA-N 0 1 379.570 3.213 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)n[nH]1 ZINC000180938022 1430124927 /nfs/dbraw/zinc/12/49/27/1430124927.db2.gz MDFPDPCISXUOKK-UHFFFAOYSA-N 0 1 388.424 3.334 20 0 GGADMN COCc1nc2n(n1)C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000180939871 1430125960 /nfs/dbraw/zinc/12/59/60/1430125960.db2.gz SXYFERCMGUVNRQ-GOSISDBHSA-N 0 1 384.430 3.397 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821188975 1430125988 /nfs/dbraw/zinc/12/59/88/1430125988.db2.gz HSGHOSVCHVJQTA-UHFFFAOYSA-N 0 1 391.932 3.325 20 0 GGADMN CC[C@H](NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccccc1F ZINC000180942532 1430127565 /nfs/dbraw/zinc/12/75/65/1430127565.db2.gz AVKDNKNAQXBVMK-IBGZPJMESA-N 0 1 393.480 3.154 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000823756693 1430128459 /nfs/dbraw/zinc/12/84/59/1430128459.db2.gz FFSDHLUUTPXOMA-UHFFFAOYSA-N 0 1 386.550 3.132 20 0 GGADMN Clc1cccc(N2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)c1 ZINC000737573898 1430129812 /nfs/dbraw/zinc/12/98/12/1430129812.db2.gz GHNFBWWIFAMSGX-UHFFFAOYSA-N 0 1 391.866 3.395 20 0 GGADMN CS(=O)(=O)CCOCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180948326 1430130035 /nfs/dbraw/zinc/13/00/35/1430130035.db2.gz ZJOVEYIRPHZIRZ-UHFFFAOYSA-N 0 1 391.411 3.116 20 0 GGADMN C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000819857090 1430133031 /nfs/dbraw/zinc/13/30/31/1430133031.db2.gz OWSFSQBQJIDLPA-CYBMUJFWSA-N 0 1 384.871 3.003 20 0 GGADMN C[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000819857090 1430133038 /nfs/dbraw/zinc/13/30/38/1430133038.db2.gz OWSFSQBQJIDLPA-CYBMUJFWSA-N 0 1 384.871 3.003 20 0 GGADMN Cc1c([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cnn1-c1cccc(Cl)c1 ZINC000180959085 1430135635 /nfs/dbraw/zinc/13/56/35/1430135635.db2.gz ALIKPLLOJWKZOY-ORAYPTAESA-N 0 1 398.898 3.024 20 0 GGADMN Cc1c([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cnn1-c1cccc(Cl)c1 ZINC000180959102 1430135704 /nfs/dbraw/zinc/13/57/04/1430135704.db2.gz ALIKPLLOJWKZOY-YJYMSZOUSA-N 0 1 398.898 3.024 20 0 GGADMN CCOCCCNC(=O)[C@H](C)N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000180959955 1430136522 /nfs/dbraw/zinc/13/65/22/1430136522.db2.gz HKSCBBITFGNENF-KRWDZBQOSA-N 0 1 386.540 3.167 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1OCc1ccccc1 ZINC000180960573 1430137077 /nfs/dbraw/zinc/13/70/77/1430137077.db2.gz NBAYGCMPCYUQRZ-UTKZUKDTSA-N 0 1 390.487 3.455 20 0 GGADMN CCCCOCCNC(=O)CN1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000180960864 1430137384 /nfs/dbraw/zinc/13/73/84/1430137384.db2.gz MGJLEMNDFYVSQQ-UHFFFAOYSA-N 0 1 386.540 3.169 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(OCc2ccccc2)c1 ZINC000180963398 1430138738 /nfs/dbraw/zinc/13/87/38/1430138738.db2.gz QEHZKAXFEWZWLZ-VGSWGCGISA-N 0 1 390.487 3.455 20 0 GGADMN CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000180968907 1430142320 /nfs/dbraw/zinc/14/23/20/1430142320.db2.gz PMWJLJWUUMYFEH-HNNXBMFYSA-N 0 1 399.539 3.248 20 0 GGADMN C[C@H](CCO)N(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC000180973869 1430145361 /nfs/dbraw/zinc/14/53/61/1430145361.db2.gz BBDFOVWOHPUZMP-LJQANCHMSA-N 0 1 381.520 3.498 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120440 1430145971 /nfs/dbraw/zinc/14/59/71/1430145971.db2.gz AHGJOQWAZLFONE-SJORKVTESA-N 0 1 392.507 3.315 20 0 GGADMN COc1ccc2c(c1)CCCN2C(=O)CN(Cc1ccccc1)[C@@H](C)CCO ZINC000180976031 1430146912 /nfs/dbraw/zinc/14/69/12/1430146912.db2.gz CSQGAJZCODKLHE-SFHVURJKSA-N 0 1 382.504 3.248 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547825 1430147666 /nfs/dbraw/zinc/14/76/66/1430147666.db2.gz SQASRICZVYAFRJ-RHSMWYFYSA-N 0 1 398.461 3.460 20 0 GGADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736140522 1430148486 /nfs/dbraw/zinc/14/84/86/1430148486.db2.gz XDXPSDVWKDUPDT-KUHUBIRLSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736140522 1430148490 /nfs/dbraw/zinc/14/84/90/1430148490.db2.gz XDXPSDVWKDUPDT-KUHUBIRLSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@@H](CCO)N(CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1 ZINC000180980879 1430149648 /nfs/dbraw/zinc/14/96/48/1430149648.db2.gz PKAXKSXYXJXACF-KRWDZBQOSA-N 0 1 398.532 3.205 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN(Cc1ccccc1)[C@H](C)CCO ZINC000180980643 1430149692 /nfs/dbraw/zinc/14/96/92/1430149692.db2.gz YTGJILCMEBLQDK-MRXNPFEDSA-N 0 1 390.911 3.238 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@H](C)CCO)c1C ZINC000180982610 1430150908 /nfs/dbraw/zinc/15/09/08/1430150908.db2.gz MCPSMZYHQDIMSK-QGZVFWFLSA-N 0 1 383.492 3.225 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@@H](C)CCO)c1C ZINC000180982592 1430151107 /nfs/dbraw/zinc/15/11/07/1430151107.db2.gz MCPSMZYHQDIMSK-KRWDZBQOSA-N 0 1 383.492 3.225 20 0 GGADMN Cn1cnc2cc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)n[nH]3)cnc21 ZINC000180989881 1430155117 /nfs/dbraw/zinc/15/51/17/1430155117.db2.gz LVTCFEUBDGABSC-UHFFFAOYSA-N 0 1 375.436 3.303 20 0 GGADMN C[C@@H](CCO)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000180993038 1430156686 /nfs/dbraw/zinc/15/66/86/1430156686.db2.gz QLRYNUFPANCYRO-HNNXBMFYSA-N 0 1 378.419 3.500 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNC(=O)OC(C)(C)C ZINC000180996771 1430158683 /nfs/dbraw/zinc/15/86/83/1430158683.db2.gz AOBGKZAALUJWJH-DFNIBXOVSA-N 0 1 387.524 3.279 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1)C(=O)N1CCCCC1 ZINC000181001551 1430161703 /nfs/dbraw/zinc/16/17/03/1430161703.db2.gz YNNUTJZAKNKFDB-KKSFZXQISA-N 0 1 389.515 3.164 20 0 GGADMN Cc1[nH]c(S(=O)(=O)Cc2nnc(C3CC3)n2C2CC2)nc1Cc1ccccc1 ZINC000181001127 1430161872 /nfs/dbraw/zinc/16/18/72/1430161872.db2.gz SQMKENBVPLRQPN-UHFFFAOYSA-N 0 1 397.504 3.087 20 0 GGADMN CS(=O)(=O)N1CCC[C@@H]1CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000181009138 1430164904 /nfs/dbraw/zinc/16/49/04/1430164904.db2.gz KNLCTCFPTLITJY-GOSISDBHSA-N 0 1 380.460 3.068 20 0 GGADMN COc1cc(OC)c(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(OC)c1 ZINC000826181048 1430166801 /nfs/dbraw/zinc/16/68/01/1430166801.db2.gz JBWOZLYRVOBSBK-GOSISDBHSA-N 0 1 395.463 3.060 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1)c1ccccc1 ZINC000181018479 1430169591 /nfs/dbraw/zinc/16/95/91/1430169591.db2.gz QAJRAQIIHOWKQO-YADHBBJMSA-N 0 1 397.494 3.250 20 0 GGADMN COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)CC3 ZINC000826212253 1430169700 /nfs/dbraw/zinc/16/97/00/1430169700.db2.gz LBAXUFKSBZCVEN-AWEZNQCLSA-N 0 1 392.438 3.143 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737031277 1430170468 /nfs/dbraw/zinc/17/04/68/1430170468.db2.gz DPDGYEBAIBJUCD-KRWDZBQOSA-N 0 1 395.463 3.100 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CCN1Cc1ccccc1 ZINC000181022551 1430171722 /nfs/dbraw/zinc/17/17/22/1430171722.db2.gz YDVYNLTWLJTLJE-FQEVSTJZSA-N 0 1 380.492 3.304 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000181024456 1430172619 /nfs/dbraw/zinc/17/26/19/1430172619.db2.gz XVBFCYSSYALZEA-HNNXBMFYSA-N 0 1 389.521 3.007 20 0 GGADMN COc1cc(CNCC(=O)N2CCCc3ccccc32)ccc1OC(=O)C1CC1 ZINC000181033664 1430177243 /nfs/dbraw/zinc/17/72/43/1430177243.db2.gz DROZDJCTWHLROG-UHFFFAOYSA-N 0 1 394.471 3.080 20 0 GGADMN C[NH+](C)C1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2)CC1 ZINC000181036421 1430179290 /nfs/dbraw/zinc/17/92/90/1430179290.db2.gz VAOYYZYJFICUEB-UHFFFAOYSA-N 0 1 395.475 3.296 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736289999 1430179882 /nfs/dbraw/zinc/17/98/82/1430179882.db2.gz GBWHCMMXYFRXRS-RKVPGOIHSA-N 0 1 398.536 3.041 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000181043559 1430182570 /nfs/dbraw/zinc/18/25/70/1430182570.db2.gz DDAGPFUYGMHABP-UHFFFAOYSA-N 0 1 389.399 3.366 20 0 GGADMN COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826191884 1430182798 /nfs/dbraw/zinc/18/27/98/1430182798.db2.gz SNOXQLMWCDVDSU-CHWSQXEVSA-N 0 1 385.443 3.305 20 0 GGADMN Cc1ccccc1C[C@@H](C)NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181052986 1430187146 /nfs/dbraw/zinc/18/71/46/1430187146.db2.gz WAKWCWZBAQJSOU-HXUWFJFHSA-N 0 1 387.568 3.460 20 0 GGADMN CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000181055855 1430189364 /nfs/dbraw/zinc/18/93/64/1430189364.db2.gz RDGDEQOYPJMCFH-UHFFFAOYSA-N 0 1 391.468 3.045 20 0 GGADMN CCn1cc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cn1 ZINC000181055772 1430189448 /nfs/dbraw/zinc/18/94/48/1430189448.db2.gz XJNAHAMSWWTKFE-KRWDZBQOSA-N 0 1 380.414 3.203 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1F ZINC000736134964 1430189788 /nfs/dbraw/zinc/18/97/88/1430189788.db2.gz XAXRPWSCQUBCSL-CYBMUJFWSA-N 0 1 384.434 3.465 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC000181058725 1430191609 /nfs/dbraw/zinc/19/16/09/1430191609.db2.gz LVROLANAVCUUSS-UHFFFAOYSA-N 0 1 389.408 3.193 20 0 GGADMN Cc1nn(C)cc1CN[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181059877 1430192355 /nfs/dbraw/zinc/19/23/55/1430192355.db2.gz USYVNQCRWHAETF-QGZVFWFLSA-N 0 1 380.414 3.028 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181061367 1430193250 /nfs/dbraw/zinc/19/32/50/1430193250.db2.gz ZZFMCKNJVNSABR-QGZVFWFLSA-N 0 1 390.459 3.051 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181061344 1430193269 /nfs/dbraw/zinc/19/32/69/1430193269.db2.gz ZZFMCKNJVNSABR-KRWDZBQOSA-N 0 1 390.459 3.051 20 0 GGADMN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001139095456 1430194994 /nfs/dbraw/zinc/19/49/94/1430194994.db2.gz WQPJZJMFPIPNFQ-SFHVURJKSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001139095456 1430194995 /nfs/dbraw/zinc/19/49/95/1430194995.db2.gz WQPJZJMFPIPNFQ-SFHVURJKSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001139095456 1430194998 /nfs/dbraw/zinc/19/49/98/1430194998.db2.gz WQPJZJMFPIPNFQ-SFHVURJKSA-N 0 1 398.511 3.231 20 0 GGADMN CCCC[C@@H](NCc1ccc(N2CCOC2=O)cc1)C(=O)Nc1cc(C)on1 ZINC000181070837 1430197026 /nfs/dbraw/zinc/19/70/26/1430197026.db2.gz QMAKZKUYMNDSEI-QGZVFWFLSA-N 0 1 386.452 3.227 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2cccc3c2CN(CC(C)C)C3)c1 ZINC000181074400 1430198922 /nfs/dbraw/zinc/19/89/22/1430198922.db2.gz VGZUVCBORSGISG-UHFFFAOYSA-N 0 1 390.505 3.476 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000824572182 1430203531 /nfs/dbraw/zinc/20/35/31/1430203531.db2.gz UDLFYMMGRJIESQ-BTYIYWSLSA-N 0 1 386.459 3.313 20 0 GGADMN CC(C)C(=O)N1CCCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181091287 1430206111 /nfs/dbraw/zinc/20/61/11/1430206111.db2.gz OIEUDMFHQRNVRM-UHFFFAOYSA-N 0 1 379.411 3.223 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)c(C)n2n1 ZINC000181090696 1430206128 /nfs/dbraw/zinc/20/61/28/1430206128.db2.gz DMFYPHUTZZIQRJ-ACJLOTCBSA-N 0 1 383.883 3.456 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(-c2nnn[n-]2)c1C ZINC000822557425 1430206369 /nfs/dbraw/zinc/20/63/69/1430206369.db2.gz ICVCPYPDDZCETR-TUKIKUTGSA-N 0 1 388.541 3.384 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000181096556 1430208587 /nfs/dbraw/zinc/20/85/87/1430208587.db2.gz JGLRJYLVYRDLFW-HNNXBMFYSA-N 0 1 385.374 3.206 20 0 GGADMN COc1cccc([C@H](O)CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000181097142 1430208741 /nfs/dbraw/zinc/20/87/41/1430208741.db2.gz AYINDSGHGUFQKV-OAHLLOKOSA-N 0 1 376.363 3.364 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000181099105 1430209364 /nfs/dbraw/zinc/20/93/64/1430209364.db2.gz VCWBHOSZLNGOCZ-NSHDSACASA-N 0 1 390.369 3.435 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000181100169 1430210478 /nfs/dbraw/zinc/21/04/78/1430210478.db2.gz IIMNVOQBQPCQEA-UHFFFAOYSA-N 0 1 389.362 3.083 20 0 GGADMN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181107941 1430213271 /nfs/dbraw/zinc/21/32/71/1430213271.db2.gz JCTHGQUYHWMOBH-RTWAWAEBSA-N 0 1 389.515 3.216 20 0 GGADMN Cc1ccoc1C(=O)NCCCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181111818 1430214415 /nfs/dbraw/zinc/21/44/15/1430214415.db2.gz KUUNOYYZRXJGQC-UHFFFAOYSA-N 0 1 391.378 3.344 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCCC[C@@H]1C ZINC000181110821 1430214552 /nfs/dbraw/zinc/21/45/52/1430214552.db2.gz YETCKMSCAUUWPE-WDEREUQCSA-N 0 1 379.411 3.412 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CCC[C@@H](OCCO)C2)on1 ZINC000181113457 1430214876 /nfs/dbraw/zinc/21/48/76/1430214876.db2.gz YSJANVVAGSRBCR-QGZVFWFLSA-N 0 1 382.460 3.477 20 0 GGADMN O=C(NCc1cccnc1-n1cccn1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181114174 1430215250 /nfs/dbraw/zinc/21/52/50/1430215250.db2.gz DSYMREAJTZVURZ-UHFFFAOYSA-N 0 1 383.362 3.403 20 0 GGADMN CCOC(=O)N1CCCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181115698 1430216014 /nfs/dbraw/zinc/21/60/14/1430216014.db2.gz ILGVDDGATUPMMZ-UHFFFAOYSA-N 0 1 381.383 3.197 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c(C)c1F ZINC000181121244 1430217625 /nfs/dbraw/zinc/21/76/25/1430217625.db2.gz DOGGESTVIPWKOR-UHFFFAOYSA-N 0 1 378.425 3.070 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000181122915 1430218111 /nfs/dbraw/zinc/21/81/11/1430218111.db2.gz KULVWUGXNROGKE-LLVKDONJSA-N 0 1 375.383 3.036 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000181126932 1430218584 /nfs/dbraw/zinc/21/85/84/1430218584.db2.gz ZFRAWFOPQNSHOM-ZDUSSCGKSA-N 0 1 392.387 3.151 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccnn1Cc1ccccn1 ZINC000181127921 1430219066 /nfs/dbraw/zinc/21/90/66/1430219066.db2.gz MYLGAKDEHCDOOU-SFHVURJKSA-N 0 1 394.479 3.268 20 0 GGADMN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1C ZINC000181129871 1430219876 /nfs/dbraw/zinc/21/98/76/1430219876.db2.gz FBBMIXCZJIJOPG-UHFFFAOYSA-N 0 1 390.440 3.222 20 0 GGADMN CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824199373 1430222143 /nfs/dbraw/zinc/22/21/43/1430222143.db2.gz IUQHAEOUBFUZLK-GOSISDBHSA-N 0 1 384.871 3.446 20 0 GGADMN COc1ccc([C@@H](Cc2ccccc2C)NCC(=O)NCC2CC2)cc1OC ZINC000181141901 1430224618 /nfs/dbraw/zinc/22/46/18/1430224618.db2.gz DAIDYDGGHMCRTH-HXUWFJFHSA-N 0 1 382.504 3.412 20 0 GGADMN Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(N4CCOC4=O)cc3)C2=O)cc1 ZINC000181143763 1430225193 /nfs/dbraw/zinc/22/51/93/1430225193.db2.gz GFCQHXUQGIXAPE-UZLBHIALSA-N 0 1 379.460 3.408 20 0 GGADMN Cc1ccc(N2CC[C@H](N[C@H](C)c3cccc(N4CCOC4=O)c3)C2=O)cc1 ZINC000181145237 1430225602 /nfs/dbraw/zinc/22/56/02/1430225602.db2.gz WIFGHBJAMHABFZ-UZLBHIALSA-N 0 1 379.460 3.408 20 0 GGADMN COc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1-n1cnnn1 ZINC000181145944 1430226304 /nfs/dbraw/zinc/22/63/04/1430226304.db2.gz MFZIOWHSIIJYRU-UHFFFAOYSA-N 0 1 391.435 3.097 20 0 GGADMN Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cccc1-c1nn[n-]n1 ZINC000822066570 1430226949 /nfs/dbraw/zinc/22/69/49/1430226949.db2.gz GHKSSQRMMUGPTG-UHFFFAOYSA-N 0 1 376.464 3.026 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccnn2Cc2ccccn2)N2CCCC2)o1 ZINC000181155941 1430230395 /nfs/dbraw/zinc/23/03/95/1430230395.db2.gz RKYSYKNCPXNVKW-GOSISDBHSA-N 0 1 394.479 3.186 20 0 GGADMN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(OC)c(F)c2C)n[nH]1 ZINC000181156503 1430230559 /nfs/dbraw/zinc/23/05/59/1430230559.db2.gz LWVKRECVOZAMLD-UHFFFAOYSA-N 0 1 390.440 3.291 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820643804 1430232111 /nfs/dbraw/zinc/23/21/11/1430232111.db2.gz ZKVHRUWWVRYQTG-HOCLYGCPSA-N 0 1 396.520 3.210 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820643804 1430232113 /nfs/dbraw/zinc/23/21/13/1430232113.db2.gz ZKVHRUWWVRYQTG-HOCLYGCPSA-N 0 1 396.520 3.210 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820643804 1430232114 /nfs/dbraw/zinc/23/21/14/1430232114.db2.gz ZKVHRUWWVRYQTG-HOCLYGCPSA-N 0 1 396.520 3.210 20 0 GGADMN Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)[N-]OCc4ccccc4)C3)nc2c1 ZINC000181163740 1430233138 /nfs/dbraw/zinc/23/31/38/1430233138.db2.gz NZPJLLUMVRXUFH-SFHVURJKSA-N 0 1 378.476 3.299 20 0 GGADMN Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)[N-]OCc4ccccc4)C3)[nH]c2c1 ZINC000181163740 1430233142 /nfs/dbraw/zinc/23/31/42/1430233142.db2.gz NZPJLLUMVRXUFH-SFHVURJKSA-N 0 1 378.476 3.299 20 0 GGADMN Cc1ccc2nc([C@H]3CCC[N@@H+](CC(=O)[N-]OCc4ccccc4)C3)[nH]c2c1 ZINC000181163740 1430233145 /nfs/dbraw/zinc/23/31/45/1430233145.db2.gz NZPJLLUMVRXUFH-SFHVURJKSA-N 0 1 378.476 3.299 20 0 GGADMN Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181167599 1430234961 /nfs/dbraw/zinc/23/49/61/1430234961.db2.gz ATCCRHXSPVWDHQ-MVGZEHJDSA-N 0 1 376.892 3.386 20 0 GGADMN CCc1cc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc(=O)[nH]1 ZINC000181169816 1430235291 /nfs/dbraw/zinc/23/52/91/1430235291.db2.gz MXOVDALMCHFOGM-UHFFFAOYSA-N 0 1 375.472 3.049 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000181172597 1430236296 /nfs/dbraw/zinc/23/62/96/1430236296.db2.gz MUDSOHGKWYQNTD-FTRWYGJKSA-N 0 1 379.460 3.488 20 0 GGADMN CC[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1OC(F)F ZINC000181174854 1430237512 /nfs/dbraw/zinc/23/75/12/1430237512.db2.gz MIIDEXMJURYLAU-LSDHHAIUSA-N 0 1 378.423 3.258 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2cnc(Br)c(C)c2)c1C ZINC000181174293 1430237590 /nfs/dbraw/zinc/23/75/90/1430237590.db2.gz JZPGKUZPNUPEAP-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCCC[C@@H]3c3nnc[nH]3)C2)c1 ZINC000181174087 1430237646 /nfs/dbraw/zinc/23/76/46/1430237646.db2.gz VIWXQVGEGQRYQS-PKOBYXMFSA-N 0 1 395.507 3.028 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cnc(Br)c(C)c2)cc1C ZINC000181175751 1430237937 /nfs/dbraw/zinc/23/79/37/1430237937.db2.gz ZUEUTOWLVPMSSN-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N[C@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n1 ZINC000181176311 1430238455 /nfs/dbraw/zinc/23/84/55/1430238455.db2.gz AFPWZNWBJPJKCU-JKSUJKDBSA-N 0 1 394.397 3.091 20 0 GGADMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(Br)c(C)c1 ZINC000181176721 1430238467 /nfs/dbraw/zinc/23/84/67/1430238467.db2.gz FBUWQZQVELLMJD-UHFFFAOYSA-N 0 1 386.227 3.170 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnc(Br)c(C)c2)c(C)c1F ZINC000181177597 1430239235 /nfs/dbraw/zinc/23/92/35/1430239235.db2.gz KFGZVIXEQTYRDB-UHFFFAOYSA-N 0 1 389.246 3.409 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C)c2)c1 ZINC000181187051 1430241629 /nfs/dbraw/zinc/24/16/29/1430241629.db2.gz YIZBLNZRMNXASB-UHFFFAOYSA-N 0 1 396.896 3.294 20 0 GGADMN CC[C@@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccccc1OC(F)F ZINC000181186030 1430241937 /nfs/dbraw/zinc/24/19/37/1430241937.db2.gz YZCUMPGCSKKIED-CABCVRRESA-N 0 1 378.423 3.176 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n(C)n1 ZINC000181187759 1430242219 /nfs/dbraw/zinc/24/22/19/1430242219.db2.gz OTZWCZXEUJKCSL-HOTGVXAUSA-N 0 1 394.397 3.010 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3sc(-c4cccnc4)nc3C)C2=O)n(C)n1 ZINC000181190808 1430243319 /nfs/dbraw/zinc/24/33/19/1430243319.db2.gz GGBKZKAHEHYJLY-BBRMVZONSA-N 0 1 396.520 3.012 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccccc3OC(F)(F)F)C2=O)n(C)n1 ZINC000181190709 1430243374 /nfs/dbraw/zinc/24/33/74/1430243374.db2.gz UUFQXNKZLXGYRF-JSGCOSHPSA-N 0 1 382.386 3.083 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccccc3OC(F)(F)F)C2=O)n(C)n1 ZINC000181190762 1430243410 /nfs/dbraw/zinc/24/34/10/1430243410.db2.gz UUFQXNKZLXGYRF-TZMCWYRMSA-N 0 1 382.386 3.083 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3ccccc3OC(F)(F)F)C2=O)n(C)n1 ZINC000181190744 1430243484 /nfs/dbraw/zinc/24/34/84/1430243484.db2.gz UUFQXNKZLXGYRF-OCCSQVGLSA-N 0 1 382.386 3.083 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H](CN3CCOCC3)c3ccccc3)c(C)n2n1 ZINC000181191204 1430243777 /nfs/dbraw/zinc/24/37/77/1430243777.db2.gz LGNSDMNGPFCVRE-DYESRHJHSA-N 0 1 379.508 3.070 20 0 GGADMN C[C@H]1OCC[C@H]1N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181194387 1430244711 /nfs/dbraw/zinc/24/47/11/1430244711.db2.gz HSMXJPBYSQQYKK-DPMMWBKBSA-N 0 1 381.444 3.225 20 0 GGADMN CC[C@@H](COC)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181193662 1430244784 /nfs/dbraw/zinc/24/47/84/1430244784.db2.gz PPPUPVDPRLMSPE-HNAYVOBHSA-N 0 1 383.460 3.472 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCCOC2)c2ccc(F)c(F)c2)c1 ZINC000181193963 1430244822 /nfs/dbraw/zinc/24/48/22/1430244822.db2.gz RKNPFKXTDUSOIH-BEFAXECRSA-N 0 1 381.444 3.226 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCCC[C@H]3c3nnc[nH]3)C2)c1 ZINC000181195498 1430245404 /nfs/dbraw/zinc/24/54/04/1430245404.db2.gz JZLYCTZJVYRHFH-WMZOPIPTSA-N 0 1 396.495 3.111 20 0 GGADMN 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3.297 20 0 GGADMN COc1cccc(Oc2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cn2)c1 ZINC000182488940 1430476244 /nfs/dbraw/zinc/47/62/44/1430476244.db2.gz MQPYFRKAHUBBIG-MOPGFXCFSA-N 0 1 390.505 3.328 20 0 GGADMN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCOCc2ccccc2)CC1 ZINC000182490477 1430476510 /nfs/dbraw/zinc/47/65/10/1430476510.db2.gz IGZPUIAINVRCDW-LJQANCHMSA-N 0 1 399.510 3.377 20 0 GGADMN COc1ccc(Oc2cc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)ccn2)cc1 ZINC000182493410 1430477223 /nfs/dbraw/zinc/47/72/23/1430477223.db2.gz JQEJLAZYOURTTI-RTBURBONSA-N 0 1 390.505 3.328 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)N4CCC[C@H](C)C4)C3)[nH]c2c1 ZINC000182497078 1430477910 /nfs/dbraw/zinc/47/79/10/1430477910.db2.gz LTIMVLCSKMGBOO-JKSUJKDBSA-N 0 1 376.526 3.027 20 0 GGADMN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000182507109 1430480066 /nfs/dbraw/zinc/48/00/66/1430480066.db2.gz CQOWZVAMZRGSJU-JQFCIGGWSA-N 0 1 386.414 3.406 20 0 GGADMN C[C@@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000182509961 1430480870 /nfs/dbraw/zinc/48/08/70/1430480870.db2.gz BINJHNXOZGLTNW-GFCCVEGCSA-N 0 1 396.365 3.281 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000182521637 1430482984 /nfs/dbraw/zinc/48/29/84/1430482984.db2.gz MIVRZTIXLZKBIQ-OAHLLOKOSA-N 0 1 394.475 3.061 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@H](O)CCc1ccccc1 ZINC000182524722 1430483064 /nfs/dbraw/zinc/48/30/64/1430483064.db2.gz XOLIHIVBFIKPGO-CTNGQTDRSA-N 0 1 382.504 3.400 20 0 GGADMN COC(=O)c1ccc(CNCCC(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000182524385 1430483175 /nfs/dbraw/zinc/48/31/75/1430483175.db2.gz QJKZBNJUMQZRDL-UHFFFAOYSA-N 0 1 380.828 3.155 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3cn(C(C)(C)C)nc3C)n2)c(OC)c1 ZINC000182526947 1430483313 /nfs/dbraw/zinc/48/33/13/1430483313.db2.gz ILNTWAGTYSIQOQ-UHFFFAOYSA-N 0 1 384.440 3.001 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000182527344 1430483731 /nfs/dbraw/zinc/48/37/31/1430483731.db2.gz LVAWJTHKVOLVND-HXUWFJFHSA-N 0 1 395.482 3.328 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCCCOC2CCCCC2)c1 ZINC000182532971 1430484950 /nfs/dbraw/zinc/48/49/50/1430484950.db2.gz AUWOEWIKEGDEQT-MRXNPFEDSA-N 0 1 375.513 3.151 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)N(C)CCOc2cc(C)cc(C)c2)c1 ZINC000182537430 1430486086 /nfs/dbraw/zinc/48/60/86/1430486086.db2.gz YWTXTJRXVVIQSK-GOSISDBHSA-N 0 1 397.519 3.450 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NC(=O)Nc2ccc(C)cc2C)c1 ZINC000182546786 1430488104 /nfs/dbraw/zinc/48/81/04/1430488104.db2.gz DQFKKZUPZYLALB-OAHLLOKOSA-N 0 1 382.464 3.261 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCCCOc2cccc(C)c2)c1 ZINC000182550183 1430489404 /nfs/dbraw/zinc/48/94/04/1430489404.db2.gz HZRYAKPVRAKDBU-KRWDZBQOSA-N 0 1 383.492 3.189 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1cccs1 ZINC000182558806 1430491628 /nfs/dbraw/zinc/49/16/28/1430491628.db2.gz PMSHKZQBCGFSHK-NSHDSACASA-N 0 1 386.456 3.030 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1cccs1 ZINC000182558821 1430491823 /nfs/dbraw/zinc/49/18/23/1430491823.db2.gz PMSHKZQBCGFSHK-LLVKDONJSA-N 0 1 386.456 3.030 20 0 GGADMN CCN(CC)C(=O)CCC1CCN([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000182559288 1430492158 /nfs/dbraw/zinc/49/21/58/1430492158.db2.gz DTAFAHZLGPNOEK-MRXNPFEDSA-N 0 1 379.570 3.113 20 0 GGADMN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559339 1430492262 /nfs/dbraw/zinc/49/22/62/1430492262.db2.gz FLVSCEDKRLOTLJ-KURKYZTESA-N 0 1 395.503 3.225 20 0 GGADMN O=C(Nc1ccccc1)c1nnc(CN2CCN(C3CCCCC3)CC2)s1 ZINC000182565381 1430493564 /nfs/dbraw/zinc/49/35/64/1430493564.db2.gz NOEFGYNAUHOSJF-UHFFFAOYSA-N 0 1 385.537 3.241 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000182567722 1430494199 /nfs/dbraw/zinc/49/41/99/1430494199.db2.gz HDTNJOBRBYRSIT-ICSRJNTNSA-N 0 1 379.589 3.384 20 0 GGADMN COCCC[C@@H](C)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000182593063 1430498894 /nfs/dbraw/zinc/49/88/94/1430498894.db2.gz GUBMPGAYNGNQBM-LJQANCHMSA-N 0 1 396.535 3.405 20 0 GGADMN C[C@H](NCC(=O)NCCOc1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000182622470 1430504222 /nfs/dbraw/zinc/50/42/22/1430504222.db2.gz KHHFOHXGGIFZOK-AWEZNQCLSA-N 0 1 382.416 3.007 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000182622489 1430504320 /nfs/dbraw/zinc/50/43/20/1430504320.db2.gz KHHFOHXGGIFZOK-CQSZACIVSA-N 0 1 382.416 3.007 20 0 GGADMN COC(=O)C1(NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)CCCCC1 ZINC000182630012 1430505933 /nfs/dbraw/zinc/50/59/33/1430505933.db2.gz JJMMRIJSRUWEAH-INIZCTEOSA-N 0 1 376.497 3.117 20 0 GGADMN Cc1cc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)nn1-c1ccc(C)cc1 ZINC000182637196 1430506969 /nfs/dbraw/zinc/50/69/69/1430506969.db2.gz HGTYQRVSNOIQOC-UHFFFAOYSA-N 0 1 391.456 3.267 20 0 GGADMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000182639934 1430507932 /nfs/dbraw/zinc/50/79/32/1430507932.db2.gz XRUOTZACHLWJCF-IAGOWNOFSA-N 0 1 378.476 3.216 20 0 GGADMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000182639872 1430507984 /nfs/dbraw/zinc/50/79/84/1430507984.db2.gz XRUOTZACHLWJCF-IRXDYDNUSA-N 0 1 378.476 3.216 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1cc2ccccc2o1 ZINC000182643838 1430508605 /nfs/dbraw/zinc/50/86/05/1430508605.db2.gz BTQMTNZSERYESG-GFCCVEGCSA-N 0 1 396.838 3.351 20 0 GGADMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000182646621 1430509001 /nfs/dbraw/zinc/50/90/01/1430509001.db2.gz XOAUCINRTQCMGT-BFYDXBDKSA-N 0 1 380.444 3.428 20 0 GGADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000182646604 1430509159 /nfs/dbraw/zinc/50/91/59/1430509159.db2.gz XOAUCINRTQCMGT-ZMSDIMECSA-N 0 1 380.444 3.428 20 0 GGADMN Cc1ccc(CN(CCO)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000182646155 1430509330 /nfs/dbraw/zinc/50/93/30/1430509330.db2.gz BPOBVAAQAFVCKV-LJQANCHMSA-N 0 1 396.535 3.120 20 0 GGADMN COCc1nc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)no1 ZINC000182654873 1430511113 /nfs/dbraw/zinc/51/11/13/1430511113.db2.gz JZCKIJIMOBNTTK-UHFFFAOYSA-N 0 1 376.460 3.104 20 0 GGADMN COc1ccc([C@@H](Cc2ccccc2C)N[C@H](C)CS(C)(=O)=O)cc1OC ZINC000182676217 1430515059 /nfs/dbraw/zinc/51/50/59/1430515059.db2.gz XKIUNFNPRZQHNO-VQIMIIECSA-N 0 1 391.533 3.319 20 0 GGADMN COc1ccc([C@H](Cc2ccccc2C)N[C@H](C)CS(C)(=O)=O)cc1OC ZINC000182676199 1430515098 /nfs/dbraw/zinc/51/50/98/1430515098.db2.gz XKIUNFNPRZQHNO-APWZRJJASA-N 0 1 391.533 3.319 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@](C)(O)c1ccc(F)cc1 ZINC000182676653 1430515553 /nfs/dbraw/zinc/51/55/53/1430515553.db2.gz FHYCCBYGMVWVRD-QFIPXVFZSA-N 0 1 397.450 3.185 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000182689934 1430517885 /nfs/dbraw/zinc/51/78/85/1430517885.db2.gz IRRCRKPMGYAPFZ-UHFFFAOYSA-N 0 1 395.482 3.251 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000182702750 1430521871 /nfs/dbraw/zinc/52/18/71/1430521871.db2.gz JKGPBZLSTGHOLM-ZWKOTPCHSA-N 0 1 378.469 3.458 20 0 GGADMN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000182702771 1430521891 /nfs/dbraw/zinc/52/18/91/1430521891.db2.gz JKGPBZLSTGHOLM-ROUUACIJSA-N 0 1 378.469 3.458 20 0 GGADMN C[C@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1nccn1C ZINC000182712998 1430524326 /nfs/dbraw/zinc/52/43/26/1430524326.db2.gz LNHDFGIQMHMBLU-WMLDXEAASA-N 0 1 382.430 3.163 20 0 GGADMN C[C@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1nccn1C ZINC000182712964 1430524480 /nfs/dbraw/zinc/52/44/80/1430524480.db2.gz LNHDFGIQMHMBLU-YOEHRIQHSA-N 0 1 382.430 3.163 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)c2cc(F)c(Cl)cc2Cl)[nH]c1C ZINC000182715771 1430525076 /nfs/dbraw/zinc/52/50/76/1430525076.db2.gz GJRPOCGBSYNANT-UHFFFAOYSA-N 0 1 387.198 3.165 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)C2CCC(c3ccccc3)CC2)[nH]c1C ZINC000182714498 1430525226 /nfs/dbraw/zinc/52/52/26/1430525226.db2.gz LHMQXMCBRIDLEU-UHFFFAOYSA-N 0 1 382.464 3.379 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000182719394 1430526221 /nfs/dbraw/zinc/52/62/21/1430526221.db2.gz JZGAMAIBSUVEFV-UXHICEINSA-N 0 1 383.492 3.070 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[nH]c1C ZINC000182729920 1430528488 /nfs/dbraw/zinc/52/84/88/1430528488.db2.gz WSJGMSOJBJMRLH-ZWKOTPCHSA-N 0 1 390.443 3.362 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CN4CCCC[C@@H]4c4nnc[nH]4)nc(N)c23)C1 ZINC000182732100 1430528986 /nfs/dbraw/zinc/52/89/86/1430528986.db2.gz KYIQLDZHMDATGB-DGCLKSJQSA-N 0 1 383.525 3.244 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cn3)cc2C[C@@H]1C ZINC000182748144 1430532302 /nfs/dbraw/zinc/53/23/02/1430532302.db2.gz QSOAWHQQZVZGAP-JTQLQIEISA-N 0 1 399.394 3.199 20 0 GGADMN C[C@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1nnc[nH]1 ZINC000182749816 1430532710 /nfs/dbraw/zinc/53/27/10/1430532710.db2.gz CSVQOTYCXGGNSH-IFXJQAMLSA-N 0 1 377.448 3.280 20 0 GGADMN COCCOc1ccc(CNC(=O)CN[C@@H](C)c2cc(C)sc2C)cc1 ZINC000182755858 1430534448 /nfs/dbraw/zinc/53/44/48/1430534448.db2.gz LRXLEVWUMCHTOU-HNNXBMFYSA-N 0 1 376.522 3.357 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)s1 ZINC000182765232 1430536248 /nfs/dbraw/zinc/53/62/48/1430536248.db2.gz CFTPVKWFEUKFOF-KGLIPLIRSA-N 0 1 391.512 3.148 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)o1 ZINC000182781497 1430538923 /nfs/dbraw/zinc/53/89/23/1430538923.db2.gz UTUCPDVEWAONTF-BETUJISGSA-N 0 1 382.457 3.450 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3cnoc3C)c2)c(C)o1 ZINC000182784855 1430539373 /nfs/dbraw/zinc/53/93/73/1430539373.db2.gz XRKCIWVRDUXGEM-UHFFFAOYSA-N 0 1 375.406 3.246 20 0 GGADMN COCCNc1ccccc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000182786750 1430539715 /nfs/dbraw/zinc/53/97/15/1430539715.db2.gz AMBRNSHGOKBWFA-JOCHJYFZSA-N 0 1 381.520 3.416 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000182792065 1430540576 /nfs/dbraw/zinc/54/05/76/1430540576.db2.gz OEQWVAQSBRQFQJ-SFTDATJTSA-N 0 1 397.519 3.460 20 0 GGADMN CCO[C@H](C)c1noc(CN2CCN(CCCc3cccc(F)c3)CC2)n1 ZINC000182813507 1430545161 /nfs/dbraw/zinc/54/51/61/1430545161.db2.gz MAFHRUBRTKTZCG-MRXNPFEDSA-N 0 1 376.476 3.057 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182825914 1430547955 /nfs/dbraw/zinc/54/79/55/1430547955.db2.gz UFOSGMCFJBXWQD-MRXNPFEDSA-N 0 1 380.414 3.441 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1c(F)cc(Cl)cc1F ZINC000182855106 1430554471 /nfs/dbraw/zinc/55/44/71/1430554471.db2.gz SMMWTNDBHRAKFW-CABCVRRESA-N 0 1 395.837 3.375 20 0 GGADMN CC(C)Cn1ncnc1CN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000182874452 1430559203 /nfs/dbraw/zinc/55/92/03/1430559203.db2.gz GHFTYDQRCIRHCO-OXQOHEQNSA-N 0 1 379.549 3.497 20 0 GGADMN O=S(=O)(NCCCc1nc(-c2ccc(F)cc2)no1)c1c(F)cccc1F ZINC000182876477 1430559460 /nfs/dbraw/zinc/55/94/60/1430559460.db2.gz LRNWJSNRFVVYSG-UHFFFAOYSA-N 0 1 397.378 3.065 20 0 GGADMN C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182878916 1430560274 /nfs/dbraw/zinc/56/02/74/1430560274.db2.gz URFYDXSXBATPJQ-CABCVRRESA-N 0 1 386.471 3.100 20 0 GGADMN C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182878882 1430560288 /nfs/dbraw/zinc/56/02/88/1430560288.db2.gz URFYDXSXBATPJQ-HUUCEWRRSA-N 0 1 386.471 3.100 20 0 GGADMN C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182878858 1430560525 /nfs/dbraw/zinc/56/05/25/1430560525.db2.gz URFYDXSXBATPJQ-LSDHHAIUSA-N 0 1 386.471 3.100 20 0 GGADMN Cn1cnc(-c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2)n1 ZINC000182887495 1430562548 /nfs/dbraw/zinc/56/25/48/1430562548.db2.gz BMCXXMALHXYPEB-KRWDZBQOSA-N 0 1 381.505 3.111 20 0 GGADMN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1cccnc1 ZINC000182889825 1430563201 /nfs/dbraw/zinc/56/32/01/1430563201.db2.gz LZKJDASAZSXCDV-BLLLJJGKSA-N 0 1 392.381 3.039 20 0 GGADMN Cc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)nn1-c1ccc(C)cc1 ZINC000182909141 1430568810 /nfs/dbraw/zinc/56/88/10/1430568810.db2.gz ACBAUMOKPSXLCE-UHFFFAOYSA-N 0 1 389.463 3.482 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@@H](CO)c2ccccc2)cs1 ZINC000182912268 1430569666 /nfs/dbraw/zinc/56/96/66/1430569666.db2.gz PCKPEXUYIYJGLD-IBGZPJMESA-N 0 1 393.512 3.331 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Cl)cc1F ZINC000182915039 1430570067 /nfs/dbraw/zinc/57/00/67/1430570067.db2.gz DHSCAFVVDRKCKC-QGZVFWFLSA-N 0 1 385.911 3.274 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2NS(C)(=O)=O)nn1-c1ccc(C)cc1 ZINC000182921362 1430571739 /nfs/dbraw/zinc/57/17/39/1430571739.db2.gz DTWLHDDXOUONNU-UHFFFAOYSA-N 0 1 384.461 3.113 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN[C@H](CO)c2ccccc2)n(-c2ccccc2)n1 ZINC000182924047 1430572558 /nfs/dbraw/zinc/57/25/58/1430572558.db2.gz SXHBPCVSYMYYPU-LJQANCHMSA-N 0 1 392.503 3.432 20 0 GGADMN CCCn1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cn1 ZINC000182931788 1430574948 /nfs/dbraw/zinc/57/49/48/1430574948.db2.gz ZDGYXQUIPHIOIX-UHFFFAOYSA-N 0 1 384.461 3.346 20 0 GGADMN Cc1cc2cc(C(=O)NNC(=O)NCc3ccco3)oc2c(Br)c1 ZINC000182948344 1430578614 /nfs/dbraw/zinc/57/86/14/1430578614.db2.gz ZARUNQHRTDGMRF-UHFFFAOYSA-N 0 1 392.209 3.241 20 0 GGADMN COc1cccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1OC1CCCC1 ZINC000182963597 1430581401 /nfs/dbraw/zinc/58/14/01/1430581401.db2.gz LDFISALFEIOULU-HKUYNNGSSA-N 0 1 381.538 3.462 20 0 GGADMN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000182971595 1430582996 /nfs/dbraw/zinc/58/29/96/1430582996.db2.gz MAOCXWUSZCDQSX-BZNIZROVSA-N 0 1 399.401 3.444 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000183000112 1430589221 /nfs/dbraw/zinc/58/92/21/1430589221.db2.gz KCVRNRGEGHXUHH-UHFFFAOYSA-N 0 1 379.460 3.115 20 0 GGADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000183000701 1430589336 /nfs/dbraw/zinc/58/93/36/1430589336.db2.gz SUVKRGFJFAATNC-LJQANCHMSA-N 0 1 375.532 3.167 20 0 GGADMN COc1ccc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1OC ZINC000183001390 1430589572 /nfs/dbraw/zinc/58/95/72/1430589572.db2.gz BXRIYVYCZLTBLZ-HNAYVOBHSA-N 0 1 383.492 3.327 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1nc2ccccc2n1C ZINC000183002246 1430589612 /nfs/dbraw/zinc/58/96/12/1430589612.db2.gz KEAAFXSTFHEQSY-FOIQADDNSA-N 0 1 377.492 3.196 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 ZINC000183005307 1430590370 /nfs/dbraw/zinc/59/03/70/1430590370.db2.gz VBYDLFVSPIUWFV-QVKFZJNVSA-N 0 1 380.492 3.268 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2ccnc2)cc1 ZINC000183005241 1430590437 /nfs/dbraw/zinc/59/04/37/1430590437.db2.gz GTDZLJHQWHOPHZ-HTAPYJJXSA-N 0 1 389.503 3.495 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc2c(c1)OCCO2 ZINC000183009224 1430591427 /nfs/dbraw/zinc/59/14/27/1430591427.db2.gz WYVZHUMKKNEGMK-HNAYVOBHSA-N 0 1 381.476 3.081 20 0 GGADMN CC[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc2c(c1)OCCO2 ZINC000183007525 1430591670 /nfs/dbraw/zinc/59/16/70/1430591670.db2.gz LYZJBJXYAGWIKG-VQTJNVASSA-N 0 1 395.503 3.471 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(C)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183011346 1430591820 /nfs/dbraw/zinc/59/18/20/1430591820.db2.gz DRZDHYYSNWYIQD-QAPCUYQASA-N 0 1 389.521 3.019 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(C)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183011365 1430592086 /nfs/dbraw/zinc/59/20/86/1430592086.db2.gz DRZDHYYSNWYIQD-CRAIPNDOSA-N 0 1 389.521 3.019 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)Nc1cc(C)ccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183013175 1430592757 /nfs/dbraw/zinc/59/27/57/1430592757.db2.gz JGDURHWBWBORON-MAUKXSAKSA-N 0 1 389.521 3.019 20 0 GGADMN COc1cc(CNC(=O)CN[C@@H](C)c2ccc(Cl)s2)cc(OC)c1OC ZINC000183018282 1430593657 /nfs/dbraw/zinc/59/36/57/1430593657.db2.gz YVMYYNSQKCIHSJ-NSHDSACASA-N 0 1 398.912 3.394 20 0 GGADMN C[C@@H](CCc1cccc(F)c1)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000183017341 1430593708 /nfs/dbraw/zinc/59/37/08/1430593708.db2.gz AQOWVXHRUPWKRH-IBGZPJMESA-N 0 1 383.511 3.081 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183018744 1430593897 /nfs/dbraw/zinc/59/38/97/1430593897.db2.gz AFJJYFVGMIUQBI-SJKOYZFVSA-N 0 1 395.912 3.055 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183018706 1430593994 /nfs/dbraw/zinc/59/39/94/1430593994.db2.gz AFJJYFVGMIUQBI-YVEFUNNKSA-N 0 1 395.912 3.055 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000183025841 1430595683 /nfs/dbraw/zinc/59/56/83/1430595683.db2.gz PJDAQEWVDDQKQL-LRDDRELGSA-N 0 1 395.912 3.055 20 0 GGADMN O=C(c1cccnc1C(F)(F)F)N1CCC(CCCN2CCOCC2)CC1 ZINC000183039362 1430598619 /nfs/dbraw/zinc/59/86/19/1430598619.db2.gz OCPNRNIIOUCXMI-UHFFFAOYSA-N 0 1 385.430 3.065 20 0 GGADMN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183063684 1430603531 /nfs/dbraw/zinc/60/35/31/1430603531.db2.gz LDDKYUCEZNQAMV-UHFFFAOYSA-N 0 1 385.228 3.452 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(F)(F)F ZINC000183074769 1430607145 /nfs/dbraw/zinc/60/71/45/1430607145.db2.gz WRQIBMNMOSCTJU-CYBMUJFWSA-N 0 1 384.402 3.166 20 0 GGADMN COc1cccc(Cc2nnc(NC(=O)N3CCCC[C@@H]3c3nnc[nH]3)s2)c1 ZINC000183080676 1430608198 /nfs/dbraw/zinc/60/81/98/1430608198.db2.gz JJBOLROPMUJTBS-CQSZACIVSA-N 0 1 399.480 3.015 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccn(CCOC)n2)CCN1Cc1ccccc1 ZINC000183081664 1430608809 /nfs/dbraw/zinc/60/88/09/1430608809.db2.gz OHOZIQVBWWIXDS-LJQANCHMSA-N 0 1 385.512 3.048 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCN1Cc1ccccc1 ZINC000183096338 1430611715 /nfs/dbraw/zinc/61/17/15/1430611715.db2.gz ZTTDMKVXWOWWTI-SFHVURJKSA-N 0 1 398.482 3.443 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ncnn2CC(C)C)CC1 ZINC000183104122 1430614586 /nfs/dbraw/zinc/61/45/86/1430614586.db2.gz UXUWXBLFAGHPRH-KRWDZBQOSA-N 0 1 388.535 3.066 20 0 GGADMN CO[C@@H](C)CCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000183106851 1430615024 /nfs/dbraw/zinc/61/50/24/1430615024.db2.gz OXKQNIIMFGKXQS-FQEVSTJZSA-N 0 1 395.547 3.440 20 0 GGADMN COC[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000183111393 1430616792 /nfs/dbraw/zinc/61/67/92/1430616792.db2.gz KBJNFLDTBADAFR-WIYYLYMNSA-N 0 1 388.458 3.476 20 0 GGADMN C[S@](=O)C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000183116724 1430618554 /nfs/dbraw/zinc/61/85/54/1430618554.db2.gz SNNVDNRGZQAZCH-CLHVYKLBSA-N 0 1 383.513 3.289 20 0 GGADMN C[C@H](NC(=O)NCC(C)(C)Sc1ccc(Br)cc1)c1nnc[nH]1 ZINC000183117098 1430619035 /nfs/dbraw/zinc/61/90/35/1430619035.db2.gz BRPCMMYQKLXHEV-JTQLQIEISA-N 0 1 398.330 3.498 20 0 GGADMN O=C(NC1CC1)[C@H](NCCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000183126851 1430622329 /nfs/dbraw/zinc/62/23/29/1430622329.db2.gz YDPKLRGDNNDXPQ-HXUWFJFHSA-N 0 1 394.450 3.418 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183179954 1430640693 /nfs/dbraw/zinc/64/06/93/1430640693.db2.gz QKUQPGDKJZTGCW-ZDUSSCGKSA-N 0 1 398.404 3.383 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183181153 1430641073 /nfs/dbraw/zinc/64/10/73/1430641073.db2.gz AWALNPTVDQJXOO-RBSFLKMASA-N 0 1 386.462 3.432 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183189432 1430643105 /nfs/dbraw/zinc/64/31/05/1430643105.db2.gz BSQCZXLDZFGPAL-UHFFFAOYSA-N 0 1 380.414 3.164 20 0 GGADMN C[C@H](O)[C@@H]1CCN(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000183192803 1430644147 /nfs/dbraw/zinc/64/41/47/1430644147.db2.gz GZUIZCWOQKNJAH-DSKINZAPSA-N 0 1 391.515 3.119 20 0 GGADMN Cc1[nH]ccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000183202403 1430646860 /nfs/dbraw/zinc/64/68/60/1430646860.db2.gz VQAUMDSYEOJZOX-HZPDHXFCSA-N 0 1 397.372 3.139 20 0 GGADMN Cc1nn(C)c2ncc(CN3CCC(n4ccc(C(F)(F)F)n4)CC3)cc12 ZINC000183202490 1430646871 /nfs/dbraw/zinc/64/68/71/1430646871.db2.gz BADABKUNVYBFFE-UHFFFAOYSA-N 0 1 378.402 3.329 20 0 GGADMN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000183222524 1430651534 /nfs/dbraw/zinc/65/15/34/1430651534.db2.gz VMKDKAMSKHCVFY-YADHBBJMSA-N 0 1 387.568 3.148 20 0 GGADMN Cc1ccccc1[C@@H](NCc1nnc2n1c1ccsc1c(=O)n2C)C(C)C ZINC000183231339 1430654448 /nfs/dbraw/zinc/65/44/48/1430654448.db2.gz IUGIQUKNJUONNR-KRWDZBQOSA-N 0 1 381.505 3.438 20 0 GGADMN O=C(NNC(=O)c1cc2ccccc2o1)Nc1ccc(Br)nc1 ZINC000183235307 1430655324 /nfs/dbraw/zinc/65/53/24/1430655324.db2.gz NBDDQOXHRIXRAU-UHFFFAOYSA-N 0 1 375.182 3.057 20 0 GGADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000183255325 1430660880 /nfs/dbraw/zinc/66/08/80/1430660880.db2.gz QKDJCSZBUYOVHV-GOSISDBHSA-N 0 1 375.532 3.213 20 0 GGADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000183254754 1430661083 /nfs/dbraw/zinc/66/10/83/1430661083.db2.gz ZSWKOXAANLYORE-GSVIPDFHSA-N 0 1 389.559 3.459 20 0 GGADMN C[C@@H](CCc1cccc(F)c1)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000183255078 1430661223 /nfs/dbraw/zinc/66/12/23/1430661223.db2.gz PJCPOXBXYQLIIM-XQBPLPMBSA-N 0 1 389.559 3.459 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)CCc3cncc(F)c3)CCN2C2CC2)c1 ZINC000183264014 1430663872 /nfs/dbraw/zinc/66/38/72/1430663872.db2.gz CFWZTYZHSBYVCD-UNMCSNQZSA-N 0 1 383.467 3.256 20 0 GGADMN Cc1c2ccccc2oc1[C@@H](NCC(=O)N1CCC2(CC1)OCCO2)C(C)C ZINC000183270183 1430665716 /nfs/dbraw/zinc/66/57/16/1430665716.db2.gz RCOQRZQQSDVSBD-FQEVSTJZSA-N 0 1 386.492 3.393 20 0 GGADMN O=C(NNC(=O)c1cc2ccccc2o1)Nc1cccnc1Br ZINC000183270843 1430666736 /nfs/dbraw/zinc/66/67/36/1430666736.db2.gz DYQHIMIJWJLACB-UHFFFAOYSA-N 0 1 375.182 3.057 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)n[nH]1 ZINC000183283496 1430669208 /nfs/dbraw/zinc/66/92/08/1430669208.db2.gz BCOOZMVOEMISPR-UHFFFAOYSA-N 0 1 378.360 3.240 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n[nH]1 ZINC000183283925 1430669786 /nfs/dbraw/zinc/66/97/86/1430669786.db2.gz FLCJXUHNXVNCPM-UHFFFAOYSA-N 0 1 393.325 3.043 20 0 GGADMN Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)c(Br)n1 ZINC000183286486 1430670544 /nfs/dbraw/zinc/67/05/44/1430670544.db2.gz YDQVRXNIVHDSJG-UHFFFAOYSA-N 0 1 389.209 3.365 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000183292676 1430670830 /nfs/dbraw/zinc/67/08/30/1430670830.db2.gz JGLFCGPCEHKUBB-SNVBAGLBSA-N 0 1 379.386 3.358 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N(CC(C)(C)C)CC(C)(C)C)cn2)CC1 ZINC000183299780 1430673007 /nfs/dbraw/zinc/67/30/07/1430673007.db2.gz XKKNLJGIZWNSNF-UHFFFAOYSA-N 0 1 389.588 3.437 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cnn1C ZINC000183299904 1430673153 /nfs/dbraw/zinc/67/31/53/1430673153.db2.gz MUZMPEQACYPSLQ-VGSWGCGISA-N 0 1 376.504 3.479 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000183302338 1430673606 /nfs/dbraw/zinc/67/36/06/1430673606.db2.gz BAVGWGBNBJVJJE-JTQLQIEISA-N 0 1 392.381 3.395 20 0 GGADMN O=C(N[C@H]1CN(C(=O)C2CC=CC2)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000183339531 1430682737 /nfs/dbraw/zinc/68/27/37/1430682737.db2.gz QEXVVHWTTCQTJV-CVEARBPZSA-N 0 1 384.373 3.155 20 0 GGADMN O=C(N[C@@H]1CN(C(=O)C2CC=CC2)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000183339571 1430682864 /nfs/dbraw/zinc/68/28/64/1430682864.db2.gz QEXVVHWTTCQTJV-HZPDHXFCSA-N 0 1 384.373 3.155 20 0 GGADMN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000183341924 1430683178 /nfs/dbraw/zinc/68/31/78/1430683178.db2.gz CJFKDMBMORMOAH-QHCPKHFHSA-N 0 1 394.563 3.407 20 0 GGADMN CCOC(=O)Nc1ccc2c(CN[C@@H](C)c3cnn(C)c3C)cc(=O)oc2c1 ZINC000183345373 1430684009 /nfs/dbraw/zinc/68/40/09/1430684009.db2.gz HNNBTJJZQZOKCI-LBPRGKRZSA-N 0 1 384.436 3.254 20 0 GGADMN CCCNC(=O)c1cccc(CN[C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183366256 1430690766 /nfs/dbraw/zinc/69/07/66/1430690766.db2.gz YDZYPWLCECXOPQ-QHCPKHFHSA-N 0 1 395.547 3.298 20 0 GGADMN CC(C)C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)Nc1nccs1 ZINC000183366977 1430691481 /nfs/dbraw/zinc/69/14/81/1430691481.db2.gz MUWZBXJZEQHTJO-KGLIPLIRSA-N 0 1 382.530 3.095 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)c2C1 ZINC000183392725 1430699428 /nfs/dbraw/zinc/69/94/28/1430699428.db2.gz NRTGQLRMIWMLII-SFHVURJKSA-N 0 1 381.476 3.473 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3ccnc(O[C@@H]4CCOC4)c3)c2C1 ZINC000183392703 1430699482 /nfs/dbraw/zinc/69/94/82/1430699482.db2.gz NRTGQLRMIWMLII-GOSISDBHSA-N 0 1 381.476 3.473 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1)c1nnc[nH]1 ZINC000183393395 1430699908 /nfs/dbraw/zinc/69/99/08/1430699908.db2.gz RBGJBWZUNGCXCV-UONOGXRCSA-N 0 1 377.448 3.356 20 0 GGADMN O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000183394952 1430700501 /nfs/dbraw/zinc/70/05/01/1430700501.db2.gz WKNYDYMMUDRWOA-UHFFFAOYSA-N 0 1 395.753 3.326 20 0 GGADMN O=C(NNC(=O)c1ccc(Cl)nc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000183395672 1430700939 /nfs/dbraw/zinc/70/09/39/1430700939.db2.gz KCIWLWVITPNREB-UHFFFAOYSA-N 0 1 380.742 3.015 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cnn1C ZINC000183398425 1430701290 /nfs/dbraw/zinc/70/12/90/1430701290.db2.gz FEWUQUSVQYTJLS-XCLFUZPHSA-N 0 1 386.496 3.486 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cnn1C ZINC000183398468 1430701410 /nfs/dbraw/zinc/70/14/10/1430701410.db2.gz FEWUQUSVQYTJLS-ZUOKHONESA-N 0 1 386.496 3.486 20 0 GGADMN CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1C ZINC000183404108 1430702564 /nfs/dbraw/zinc/70/25/64/1430702564.db2.gz LMMSVQAIXUABRY-UHFFFAOYSA-N 0 1 396.266 3.488 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cnn1C ZINC000183415447 1430705669 /nfs/dbraw/zinc/70/56/69/1430705669.db2.gz ZTTJGFVQZRTAMP-CQSZACIVSA-N 0 1 378.480 3.081 20 0 GGADMN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000183415712 1430705972 /nfs/dbraw/zinc/70/59/72/1430705972.db2.gz FJXZNBRPYHEKAE-NRFANRHFSA-N 0 1 394.515 3.149 20 0 GGADMN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000183415736 1430706078 /nfs/dbraw/zinc/70/60/78/1430706078.db2.gz FJXZNBRPYHEKAE-OAQYLSRUSA-N 0 1 394.515 3.149 20 0 GGADMN Cc1c([C@H](C)NCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cnn1C ZINC000183415467 1430706140 /nfs/dbraw/zinc/70/61/40/1430706140.db2.gz ZTTJGFVQZRTAMP-AWEZNQCLSA-N 0 1 378.480 3.081 20 0 GGADMN Cc1nc(CSc2ccccc2C(=O)N(C)C[C@H](C)c2nn[nH]n2)cs1 ZINC000183426958 1430708549 /nfs/dbraw/zinc/70/85/49/1430708549.db2.gz PLUBVSRLXUDUMT-NSHDSACASA-N 0 1 388.522 3.133 20 0 GGADMN CC(C)c1c(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cnn1-c1cccc(Cl)c1 ZINC000183427762 1430708974 /nfs/dbraw/zinc/70/89/74/1430708974.db2.gz BTZQIKVVHMBJQO-LBPRGKRZSA-N 0 1 387.875 3.038 20 0 GGADMN CCOC(=O)N1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183430962 1430709878 /nfs/dbraw/zinc/70/98/78/1430709878.db2.gz KNGGHWQJXUDZCP-UHFFFAOYSA-N 0 1 398.294 3.285 20 0 GGADMN C[C@H](CN(C)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1nn[nH]n1 ZINC000183430735 1430709971 /nfs/dbraw/zinc/70/99/71/1430709971.db2.gz KCZUOAAWODDGEY-SNVBAGLBSA-N 0 1 375.354 3.160 20 0 GGADMN C[C@H](CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc21)c1nn[nH]n1 ZINC000183431865 1430710396 /nfs/dbraw/zinc/71/03/96/1430710396.db2.gz RLVXBVMESRAIDT-GFCCVEGCSA-N 0 1 378.461 3.352 20 0 GGADMN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000183434385 1430710769 /nfs/dbraw/zinc/71/07/69/1430710769.db2.gz WHGZPMOGJBOXPJ-QMMMGPOBSA-N 0 1 395.250 3.346 20 0 GGADMN CC[NH+](CC)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000183437851 1430711808 /nfs/dbraw/zinc/71/18/08/1430711808.db2.gz ZTFKGAXMOGXGKZ-HNNXBMFYSA-N 0 1 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0 GGADMN CC[C@@H](CSC)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000183562344 1430742438 /nfs/dbraw/zinc/74/24/38/1430742438.db2.gz ZYPBWKODTRXOFQ-ZBFHGGJFSA-N 0 1 382.549 3.079 20 0 GGADMN CC[C@H](CSC)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000183562399 1430742683 /nfs/dbraw/zinc/74/26/83/1430742683.db2.gz MRFHSHLUOFKHHI-DOTOQJQBSA-N 0 1 396.576 3.469 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccon1 ZINC000183567269 1430743310 /nfs/dbraw/zinc/74/33/10/1430743310.db2.gz KSIWACRIVGJUJM-UHFFFAOYSA-N 0 1 397.401 3.027 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCCOCC1)N1CCCCC1 ZINC000183591368 1430749171 /nfs/dbraw/zinc/74/91/71/1430749171.db2.gz KOKMKWCQYWQPTM-PKOBYXMFSA-N 0 1 375.513 3.091 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1cccc(F)c1 ZINC000183629917 1430758515 /nfs/dbraw/zinc/75/85/15/1430758515.db2.gz WPGSLFRUUSKOGP-FQEVSTJZSA-N 0 1 395.482 3.328 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](CO)c2ccccc2)cc1 ZINC000183632369 1430759072 /nfs/dbraw/zinc/75/90/72/1430759072.db2.gz XECWQKVAGKXLOB-VXKWHMMOSA-N 0 1 382.504 3.462 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](CC3CCC3)c3ccccc3)C2)CC1 ZINC000183633040 1430759495 /nfs/dbraw/zinc/75/94/95/1430759495.db2.gz QTOTWTSVKWDBEN-VXKWHMMOSA-N 0 1 384.568 3.339 20 0 GGADMN COc1ccc2cc(CNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)ccc2c1 ZINC000183641590 1430761403 /nfs/dbraw/zinc/76/14/03/1430761403.db2.gz JHZCUYQMDIKBON-INIZCTEOSA-N 0 1 382.382 3.168 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1 ZINC000183643609 1430761768 /nfs/dbraw/zinc/76/17/68/1430761768.db2.gz DXTOJFRBVOINNJ-HNNXBMFYSA-N 0 1 387.402 3.313 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000183644659 1430762331 /nfs/dbraw/zinc/76/23/31/1430762331.db2.gz GMTYGRBBHIQNBA-CABZTGNLSA-N 0 1 382.329 3.168 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NC3Cc4ccccc4C3)c2C1 ZINC000183646894 1430762876 /nfs/dbraw/zinc/76/28/76/1430762876.db2.gz DPGOXWLBSDASHL-MRXNPFEDSA-N 0 1 391.515 3.269 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1nc(-c2ccccc2)cs1 ZINC000183647863 1430763440 /nfs/dbraw/zinc/76/34/40/1430763440.db2.gz RAHBIMKJRDEEQI-AWEZNQCLSA-N 0 1 385.411 3.129 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000183656015 1430764954 /nfs/dbraw/zinc/76/49/54/1430764954.db2.gz HKMBVWZMJGSIAF-HNNXBMFYSA-N 0 1 388.430 3.321 20 0 GGADMN O=C(CN[C@H](CO)c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000183669836 1430768453 /nfs/dbraw/zinc/76/84/53/1430768453.db2.gz ZQPZZPAVPUPCJR-JOCHJYFZSA-N 0 1 375.472 3.107 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000183695137 1430774855 /nfs/dbraw/zinc/77/48/55/1430774855.db2.gz AOOMQENETRNJHU-KRWDZBQOSA-N 0 1 392.887 3.176 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000183695119 1430775090 /nfs/dbraw/zinc/77/50/90/1430775090.db2.gz AOOMQENETRNJHU-QGZVFWFLSA-N 0 1 392.887 3.176 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1 ZINC000183708726 1430778350 /nfs/dbraw/zinc/77/83/50/1430778350.db2.gz GAYQPQRSDXWBQD-CVEARBPZSA-N 0 1 386.414 3.452 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000183713923 1430779378 /nfs/dbraw/zinc/77/93/78/1430779378.db2.gz SVZSVGFBXPTZON-DLBZAZTESA-N 0 1 393.409 3.123 20 0 GGADMN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H](C)c1cccc(C)c1C ZINC000183715960 1430779807 /nfs/dbraw/zinc/77/98/07/1430779807.db2.gz HWSCOXJGLAQPCB-KRWDZBQOSA-N 0 1 383.492 3.026 20 0 GGADMN Cc1cccc([C@@H](C)NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1C ZINC000183721775 1430780504 /nfs/dbraw/zinc/78/05/04/1430780504.db2.gz SFYNYFHWPNJTSK-DLBZAZTESA-N 0 1 385.483 3.087 20 0 GGADMN Cc1cccc([C@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1C ZINC000183721831 1430780648 /nfs/dbraw/zinc/78/06/48/1430780648.db2.gz SFYNYFHWPNJTSK-SJORKVTESA-N 0 1 385.483 3.087 20 0 GGADMN CCc1cccc2c(CCNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c[nH]c21 ZINC000183720632 1430780770 /nfs/dbraw/zinc/78/07/70/1430780770.db2.gz RSUWBASYJUVJEN-HNNXBMFYSA-N 0 1 383.414 3.092 20 0 GGADMN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)nc2c1 ZINC000183721186 1430780804 /nfs/dbraw/zinc/78/08/04/1430780804.db2.gz QFNSLZVTNRZHSV-GJZGRUSLSA-N 0 1 396.413 3.238 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)[nH]c2c1 ZINC000183721186 1430780807 /nfs/dbraw/zinc/78/08/07/1430780807.db2.gz QFNSLZVTNRZHSV-GJZGRUSLSA-N 0 1 396.413 3.238 20 0 GGADMN COC(=O)c1cn(C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)nn1 ZINC000183730098 1430782854 /nfs/dbraw/zinc/78/28/54/1430782854.db2.gz OUSAUGFRGRLCLD-UHFFFAOYSA-N 0 1 399.278 3.087 20 0 GGADMN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183733308 1430783176 /nfs/dbraw/zinc/78/31/76/1430783176.db2.gz VTJDPCJEGRWAIY-ZDUSSCGKSA-N 0 1 392.452 3.037 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)nn1 ZINC000183733974 1430783388 /nfs/dbraw/zinc/78/33/88/1430783388.db2.gz YFOZIPHELXQILN-UHFFFAOYSA-N 0 1 384.480 3.030 20 0 GGADMN C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183733321 1430783439 /nfs/dbraw/zinc/78/34/39/1430783439.db2.gz VTJDPCJEGRWAIY-CYBMUJFWSA-N 0 1 392.452 3.037 20 0 GGADMN COC(=O)c1cn(C2CCN(CCOc3cc(Cl)ccc3Cl)CC2)nn1 ZINC000183736769 1430783772 /nfs/dbraw/zinc/78/37/72/1430783772.db2.gz WHFORFOLLKMGMP-UHFFFAOYSA-N 0 1 399.278 3.087 20 0 GGADMN C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1scnc1C1CCCC1 ZINC000183742504 1430785118 /nfs/dbraw/zinc/78/51/18/1430785118.db2.gz UNSBMDWGDYNYKH-NSHDSACASA-N 0 1 377.441 3.168 20 0 GGADMN C[C@H](NC[C@H](O)CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1Cl ZINC000183751048 1430786944 /nfs/dbraw/zinc/78/69/44/1430786944.db2.gz VRQGBZSVEYIOKV-RYUDHWBXSA-N 0 1 393.270 3.301 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000183772296 1430790384 /nfs/dbraw/zinc/79/03/84/1430790384.db2.gz VQWCPJNDOLEUBA-MSOLQXFVSA-N 0 1 391.512 3.180 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000183771884 1430790593 /nfs/dbraw/zinc/79/05/93/1430790593.db2.gz SFEDNLGXJRZDCP-HZPDHXFCSA-N 0 1 381.542 3.114 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)o1 ZINC000183776777 1430791437 /nfs/dbraw/zinc/79/14/37/1430791437.db2.gz IFWFPXDCZPOXDV-QGZVFWFLSA-N 0 1 389.540 3.188 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000183781816 1430792565 /nfs/dbraw/zinc/79/25/65/1430792565.db2.gz STHPAAHCZVLDEU-JTDSTZFVSA-N 0 1 382.460 3.083 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)o1 ZINC000183782469 1430792733 /nfs/dbraw/zinc/79/27/33/1430792733.db2.gz OHLVZCYBOVIJLM-MRXNPFEDSA-N 0 1 383.492 3.424 20 0 GGADMN Cc1cc([C@H](C)N[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1 ZINC000183785598 1430793779 /nfs/dbraw/zinc/79/37/79/1430793779.db2.gz RTGVXDFBBAKRFM-LSDHHAIUSA-N 0 1 396.491 3.372 20 0 GGADMN Cc1cc2c(cc1NC(=O)NCCCN1CCN(c3ccccc3)CC1)OCO2 ZINC000183794613 1430795433 /nfs/dbraw/zinc/79/54/33/1430795433.db2.gz JGCHHGONFJGKFF-UHFFFAOYSA-N 0 1 396.491 3.058 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(C)o1 ZINC000183794020 1430795496 /nfs/dbraw/zinc/79/54/96/1430795496.db2.gz BNNDWAKMPQOIAG-WBVHZDCISA-N 0 1 389.540 3.044 20 0 GGADMN O=C1C[C@H](NCc2cnc3ccccn23)CN1Cc1ccccc1C(F)(F)F ZINC000183812662 1430799741 /nfs/dbraw/zinc/79/97/41/1430799741.db2.gz UTLIUIULAGNJPA-HNNXBMFYSA-N 0 1 388.393 3.244 20 0 GGADMN O=C1C[C@@H](NCc2cnc3ccccn23)CN1Cc1ccccc1C(F)(F)F ZINC000183812653 1430799862 /nfs/dbraw/zinc/79/98/62/1430799862.db2.gz UTLIUIULAGNJPA-OAHLLOKOSA-N 0 1 388.393 3.244 20 0 GGADMN CCN(C(=O)CN1CCC[C@H](C2(C)OCCO2)C1)c1nc2ccccc2s1 ZINC000183837537 1430802928 /nfs/dbraw/zinc/80/29/28/1430802928.db2.gz SARPZGYVUNEVPH-HNNXBMFYSA-N 0 1 389.521 3.124 20 0 GGADMN COCc1ccccc1NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000183838001 1430803184 /nfs/dbraw/zinc/80/31/84/1430803184.db2.gz MCPLBSCAOGYXNF-UHFFFAOYSA-N 0 1 384.255 3.124 20 0 GGADMN CCN(C(=O)CN1CCC[C@@H](C2(C)OCCO2)C1)c1nc2ccccc2s1 ZINC000183837552 1430803296 /nfs/dbraw/zinc/80/32/96/1430803296.db2.gz SARPZGYVUNEVPH-OAHLLOKOSA-N 0 1 389.521 3.124 20 0 GGADMN CC1([C@H]2CCCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2)OCCO1 ZINC000183842471 1430804087 /nfs/dbraw/zinc/80/40/87/1430804087.db2.gz FKMULHDUYQWDLR-SFHVURJKSA-N 0 1 387.524 3.090 20 0 GGADMN CC1([C@@H]2CCCN([C@@H]3CCCN(c4ccccc4Cl)C3=O)C2)OCCO1 ZINC000183847906 1430804634 /nfs/dbraw/zinc/80/46/34/1430804634.db2.gz IAGAZDZWKVLWRL-CRAIPNDOSA-N 0 1 378.900 3.310 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NN1Cc2ccccc2C1=O ZINC000183855331 1430805366 /nfs/dbraw/zinc/80/53/66/1430805366.db2.gz LWUNJDFTGBZXQL-UHFFFAOYSA-N 0 1 397.431 3.470 20 0 GGADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NN1Cc2ccccc2C1=O ZINC000183855875 1430805484 /nfs/dbraw/zinc/80/54/84/1430805484.db2.gz XLCUFRXAFIAUTN-UHFFFAOYSA-N 0 1 381.432 3.482 20 0 GGADMN Cc1sc2nc([C@H](C)N3CCC[C@H](C4(C)OCCO4)C3)nc(N)c2c1C ZINC000183863826 1430806290 /nfs/dbraw/zinc/80/62/90/1430806290.db2.gz XTKLSWJEAMLTKO-JSGCOSHPSA-N 0 1 376.526 3.426 20 0 GGADMN CC1([C@H]2CCCN(Cc3cc4c(cc3Br)OCCO4)C2)OCCO1 ZINC000183874263 1430807454 /nfs/dbraw/zinc/80/74/54/1430807454.db2.gz ZMYICFSEBHJRAS-AWEZNQCLSA-N 0 1 398.297 3.195 20 0 GGADMN CCC[C@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1nn[nH]n1 ZINC000183874553 1430807495 /nfs/dbraw/zinc/80/74/95/1430807495.db2.gz DCAZHYRGWZNAII-LBPRGKRZSA-N 0 1 394.357 3.453 20 0 GGADMN CC1([C@H]2CCCN(CC(=O)N(Cc3ccco3)Cc3ccccc3)C2)OCCO1 ZINC000183887734 1430809033 /nfs/dbraw/zinc/80/90/33/1430809033.db2.gz QPYSPMXCYDXUSK-FQEVSTJZSA-N 0 1 398.503 3.283 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CSCCS1)c1cccc(C(F)(F)F)c1 ZINC000183899016 1430810394 /nfs/dbraw/zinc/81/03/94/1430810394.db2.gz XCNAJAXEPKFVMV-KGLIPLIRSA-N 0 1 378.485 3.273 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000183893981 1430809788 /nfs/dbraw/zinc/80/97/88/1430809788.db2.gz NNVGMWYRGLIGOK-QGZVFWFLSA-N 0 1 382.430 3.397 20 0 GGADMN C[C@@H]1CCN(C(=O)CN2CCC[C@H](C3(C)OCCO3)C2)c2ccccc2S1 ZINC000183897938 1430810407 /nfs/dbraw/zinc/81/04/07/1430810407.db2.gz AXAWERXJWMTSHT-SJORKVTESA-N 0 1 390.549 3.379 20 0 GGADMN COc1cccc([C@@H](O)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000183899391 1430810463 /nfs/dbraw/zinc/81/04/63/1430810463.db2.gz CNRNSNISNUGFAX-ZWKOTPCHSA-N 0 1 396.409 3.167 20 0 GGADMN CC1([C@H]2CCCN(Cc3nc4sc5c(c4c(N)n3)CCCC5)C2)OCCO1 ZINC000183900135 1430810611 /nfs/dbraw/zinc/81/06/11/1430810611.db2.gz HTMWYKWXUNIWLT-ZDUSSCGKSA-N 0 1 388.537 3.127 20 0 GGADMN CC1([C@@H]2CCCN(Cc3nc4sc5c(c4c(N)n3)CCCC5)C2)OCCO1 ZINC000183900117 1430810646 /nfs/dbraw/zinc/81/06/46/1430810646.db2.gz HTMWYKWXUNIWLT-CYBMUJFWSA-N 0 1 388.537 3.127 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000183899796 1430810707 /nfs/dbraw/zinc/81/07/07/1430810707.db2.gz JWWRTBSXCGZWRQ-KRWDZBQOSA-N 0 1 380.414 3.245 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000183899598 1430810719 /nfs/dbraw/zinc/81/07/19/1430810719.db2.gz CAKLQABHVGRKPF-INIZCTEOSA-N 0 1 396.369 3.229 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H](C2(C)OCCO2)C1 ZINC000183901561 1430810861 /nfs/dbraw/zinc/81/08/61/1430810861.db2.gz YRHZZRPROGBUPX-PKOBYXMFSA-N 0 1 390.524 3.128 20 0 GGADMN COc1cc(-c2nc(CN3CCC[C@H](C4(C)OCCO4)C3)cs2)ccc1O ZINC000183901957 1430810903 /nfs/dbraw/zinc/81/09/03/1430810903.db2.gz FDNKJYWIUIHFIM-HNNXBMFYSA-N 0 1 390.505 3.499 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(C(=O)NC)ccc2C)CCN1Cc1ccccc1 ZINC000183906618 1430811461 /nfs/dbraw/zinc/81/14/61/1430811461.db2.gz JZZKHFLIMPHNGF-HXUWFJFHSA-N 0 1 394.519 3.483 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(F)c(F)c1F ZINC000183912211 1430812220 /nfs/dbraw/zinc/81/22/20/1430812220.db2.gz AKLBKNWIJWEEQC-UHFFFAOYSA-N 0 1 377.326 3.123 20 0 GGADMN Cc1cc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)nn1-c1ccc(C)cc1 ZINC000183929378 1430814488 /nfs/dbraw/zinc/81/44/88/1430814488.db2.gz YCSJDJOISJPZLZ-UHFFFAOYSA-N 0 1 399.838 3.315 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(CCOc3ccccc3C(=O)[O-])CC2)c1 ZINC000183934718 1430814934 /nfs/dbraw/zinc/81/49/34/1430814934.db2.gz MJBYCIGFQUFHKQ-QGZVFWFLSA-N 0 1 384.476 3.151 20 0 GGADMN COc1cccc([C@@H](C)N2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)c1 ZINC000183934718 1430814935 /nfs/dbraw/zinc/81/49/35/1430814935.db2.gz MJBYCIGFQUFHKQ-QGZVFWFLSA-N 0 1 384.476 3.151 20 0 GGADMN CC[N@@H+](CCOc1ccccc1C(=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000183936751 1430815314 /nfs/dbraw/zinc/81/53/14/1430815314.db2.gz QYHOXLWIKWNTCE-UHFFFAOYSA-N 0 1 383.492 3.397 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C)CCN1Cc1ccccc1 ZINC000183977794 1430822008 /nfs/dbraw/zinc/82/20/08/1430822008.db2.gz QLQRNCNUUDVTNI-IBGZPJMESA-N 0 1 380.492 3.222 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc2c(c1)OCCO2 ZINC000183996046 1430826086 /nfs/dbraw/zinc/82/60/86/1430826086.db2.gz DSWYSCGYBKFASX-IBGZPJMESA-N 0 1 378.432 3.370 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(C)C[C@@H](C)c2nccs2)c1 ZINC000184002353 1430826812 /nfs/dbraw/zinc/82/68/12/1430826812.db2.gz AZXKJDSPZOTRIU-ILXRZTDVSA-N 0 1 391.537 3.462 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(C)C[C@H](C)c2nccs2)c1 ZINC000184002337 1430826837 /nfs/dbraw/zinc/82/68/37/1430826837.db2.gz AZXKJDSPZOTRIU-KKUMJFAQSA-N 0 1 391.537 3.462 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC[C@H](c4c(F)cccc4F)C3)c2)CC1 ZINC000184024002 1430830850 /nfs/dbraw/zinc/83/08/50/1430830850.db2.gz LOZKYXKPYJJNKC-IBGZPJMESA-N 0 1 399.485 3.342 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2nc3c(s2)COCC3)CCN1Cc1ccccc1 ZINC000184029166 1430831514 /nfs/dbraw/zinc/83/15/14/1430831514.db2.gz IBYFBGCKQRGIEZ-MRXNPFEDSA-N 0 1 386.521 3.344 20 0 GGADMN Cn1nc(C2CCCC2)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000184030495 1430831525 /nfs/dbraw/zinc/83/15/25/1430831525.db2.gz YYWHPGFVDNPVBK-UHFFFAOYSA-N 0 1 381.524 3.229 20 0 GGADMN COC(=O)[C@@H](C)Cc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000184037196 1430832524 /nfs/dbraw/zinc/83/25/24/1430832524.db2.gz MLSNQSDDLNBWMI-AWEZNQCLSA-N 0 1 384.457 3.387 20 0 GGADMN COC(=O)[C@@H](C)Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000184038487 1430832685 /nfs/dbraw/zinc/83/26/85/1430832685.db2.gz ODSUNIPWLPWUAP-LBPRGKRZSA-N 0 1 382.869 3.196 20 0 GGADMN Clc1ccc(-n2cc(CN[C@H]3CCN(c4ccccn4)C3)nn2)cc1Cl ZINC000184043719 1430833392 /nfs/dbraw/zinc/83/33/92/1430833392.db2.gz IJAWARDDAPYYMF-ZDUSSCGKSA-N 0 1 389.290 3.338 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184045343 1430833636 /nfs/dbraw/zinc/83/36/36/1430833636.db2.gz MMPUUTLOWBFGQB-UHFFFAOYSA-N 0 1 386.459 3.263 20 0 GGADMN CCCOc1cccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000184054998 1430835234 /nfs/dbraw/zinc/83/52/34/1430835234.db2.gz FXFIHXYXNHIASP-UHFFFAOYSA-N 0 1 381.436 3.494 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1cc(C2CCCC2)nn1C ZINC000184058923 1430835754 /nfs/dbraw/zinc/83/57/54/1430835754.db2.gz AUFGRPCRESLMND-UHFFFAOYSA-N 0 1 382.468 3.014 20 0 GGADMN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000184061625 1430836325 /nfs/dbraw/zinc/83/63/25/1430836325.db2.gz YQRQWLZAPKKBOR-UHFFFAOYSA-N 0 1 399.494 3.221 20 0 GGADMN C[C@@H](NC(=O)CN1CCOCC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000184072070 1430837564 /nfs/dbraw/zinc/83/75/64/1430837564.db2.gz MIBTUEPVFMLVAL-GOSISDBHSA-N 0 1 382.504 3.146 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCOCC2(CCOCC2)C1 ZINC000184086952 1430839541 /nfs/dbraw/zinc/83/95/41/1430839541.db2.gz BFOYHKAFVYCWJR-UHFFFAOYSA-N 0 1 392.515 3.082 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc2ncsc2c1 ZINC000184096878 1430840627 /nfs/dbraw/zinc/84/06/27/1430840627.db2.gz CQONDSATPADRSN-UHFFFAOYSA-N 0 1 380.433 3.315 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cccc(OC(F)F)c1 ZINC000184099244 1430840955 /nfs/dbraw/zinc/84/09/55/1430840955.db2.gz CBSQTGFYKPJZPT-UHFFFAOYSA-N 0 1 389.362 3.307 20 0 GGADMN CC(C)Oc1ncccc1NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000184106762 1430842037 /nfs/dbraw/zinc/84/20/37/1430842037.db2.gz RSSJOFNUERRITJ-UHFFFAOYSA-N 0 1 399.270 3.159 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000184113442 1430843043 /nfs/dbraw/zinc/84/30/43/1430843043.db2.gz CXRVCEBNRSMUOQ-LPHOPBHVSA-N 0 1 393.503 3.192 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC000184113457 1430843120 /nfs/dbraw/zinc/84/31/20/1430843120.db2.gz CXRVCEBNRSMUOQ-APWZRJJASA-N 0 1 393.503 3.192 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC000184119295 1430843628 /nfs/dbraw/zinc/84/36/28/1430843628.db2.gz PFCIVZOCDMJHQZ-VQIMIIECSA-N 0 1 393.503 3.192 20 0 GGADMN CSc1c(F)cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1F ZINC000184147740 1430847402 /nfs/dbraw/zinc/84/74/02/1430847402.db2.gz CGNRWULUAJIUBS-CYBMUJFWSA-N 0 1 399.488 3.106 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCSC[C@H]3c3nccs3)n[nH]2)cc1 ZINC000184151657 1430847799 /nfs/dbraw/zinc/84/77/99/1430847799.db2.gz HMTBLIHUTUMTAH-INIZCTEOSA-N 0 1 386.502 3.472 20 0 GGADMN CCN(CC)[C@H](C(=O)NCc1nc2cc(OC)ccc2n1C)c1ccccc1 ZINC000184162799 1430849305 /nfs/dbraw/zinc/84/93/05/1430849305.db2.gz MHNWIEBKLXOXQO-NRFANRHFSA-N 0 1 380.492 3.281 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000184162692 1430849361 /nfs/dbraw/zinc/84/93/61/1430849361.db2.gz LKJMAVZYSOELAG-UHFFFAOYSA-N 0 1 381.436 3.413 20 0 GGADMN Cn1cnnc1Sc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000184174099 1430850747 /nfs/dbraw/zinc/85/07/47/1430850747.db2.gz NAKJEKGKUGIXNK-UHFFFAOYSA-N 0 1 377.433 3.004 20 0 GGADMN CCOc1ccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1F ZINC000184190861 1430853931 /nfs/dbraw/zinc/85/39/31/1430853931.db2.gz GPLDOHKONATKDX-UHFFFAOYSA-N 0 1 385.399 3.243 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000184202866 1430855624 /nfs/dbraw/zinc/85/56/24/1430855624.db2.gz YXNAVKHGJUOKQI-FQEVSTJZSA-N 0 1 382.460 3.232 20 0 GGADMN Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000184202167 1430855733 /nfs/dbraw/zinc/85/57/33/1430855733.db2.gz ZLDWJCVVLGWKFS-UHFFFAOYSA-N 0 1 390.440 3.305 20 0 GGADMN Cc1nnc(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)n1C1CC1 ZINC000184215121 1430857448 /nfs/dbraw/zinc/85/74/48/1430857448.db2.gz WHGITYOWJDVXLM-UHFFFAOYSA-N 0 1 389.503 3.483 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1)c1cccs1 ZINC000184224306 1430858748 /nfs/dbraw/zinc/85/87/48/1430858748.db2.gz FLTWFRFFKJEYHF-OALUTQOASA-N 0 1 387.549 3.394 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccc(OC)c(Cl)c1 ZINC000184227499 1430859063 /nfs/dbraw/zinc/85/90/63/1430859063.db2.gz MQQIFNLSCPXOFT-HNNXBMFYSA-N 0 1 391.786 3.008 20 0 GGADMN Cc1nc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(-c2ccccc2)o1 ZINC000184230382 1430859667 /nfs/dbraw/zinc/85/96/67/1430859667.db2.gz JCVCDHGRNOTCMS-VQTJNVASSA-N 0 1 391.471 3.015 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NNc1c(F)cccc1Cl ZINC000184231690 1430859880 /nfs/dbraw/zinc/85/98/80/1430859880.db2.gz LMKAKEDXEGQYOB-UHFFFAOYSA-N 0 1 392.843 3.011 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(C)cnn2Cc2ccccc2F)cc1F ZINC000184233637 1430860153 /nfs/dbraw/zinc/86/01/53/1430860153.db2.gz FBHXJYBWUFODTN-UHFFFAOYSA-N 0 1 393.415 3.327 20 0 GGADMN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000184233743 1430860179 /nfs/dbraw/zinc/86/01/79/1430860179.db2.gz YUOUOQSNJTVRNT-UHFFFAOYSA-N 0 1 387.436 3.115 20 0 GGADMN CCO[C@H]1C[C@@H](N(C)CCCS(=O)(=O)c2ccccc2OC)C12CCC2 ZINC000184237424 1430860610 /nfs/dbraw/zinc/86/06/10/1430860610.db2.gz CDRZDQGMYBOVBL-MOPGFXCFSA-N 0 1 381.538 3.139 20 0 GGADMN COc1ccccc1[C@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)[NH+]1CCCCC1 ZINC000184237808 1430860760 /nfs/dbraw/zinc/86/07/60/1430860760.db2.gz ALRMZANEBOJFHY-HIFRSBDPSA-N 0 1 394.459 3.092 20 0 GGADMN COc1ccccc1[C@@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)[NH+]1CCCCC1 ZINC000184237837 1430860768 /nfs/dbraw/zinc/86/07/68/1430860768.db2.gz ALRMZANEBOJFHY-UKRRQHHQSA-N 0 1 394.459 3.092 20 0 GGADMN CCn1ncc2ccc(NC(=O)NCc3n[nH]c(COc4ccccc4)n3)cc21 ZINC000184244691 1430861526 /nfs/dbraw/zinc/86/15/26/1430861526.db2.gz CFIRXCJLCFABRU-UHFFFAOYSA-N 0 1 391.435 3.075 20 0 GGADMN C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000184263269 1430864428 /nfs/dbraw/zinc/86/44/28/1430864428.db2.gz RXQPIZWXWIQNDB-CYBMUJFWSA-N 0 1 375.432 3.311 20 0 GGADMN C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000184263245 1430864437 /nfs/dbraw/zinc/86/44/37/1430864437.db2.gz RXQPIZWXWIQNDB-ZDUSSCGKSA-N 0 1 375.432 3.311 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)n[nH]2)cc1 ZINC000184266271 1430864650 /nfs/dbraw/zinc/86/46/50/1430864650.db2.gz XGSWOWBZYAIMDS-HNNXBMFYSA-N 0 1 385.464 3.279 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)n[nH]2)cc1 ZINC000184266290 1430864813 /nfs/dbraw/zinc/86/48/13/1430864813.db2.gz XGSWOWBZYAIMDS-OAHLLOKOSA-N 0 1 385.464 3.279 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1S(=O)(=O)CC)N(C)C ZINC000184273785 1430865990 /nfs/dbraw/zinc/86/59/90/1430865990.db2.gz BHHWINGNMVNTDJ-MRXNPFEDSA-N 0 1 387.521 3.107 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)C)C3)n[nH]2)c1 ZINC000184291775 1430869084 /nfs/dbraw/zinc/86/90/84/1430869084.db2.gz OOUSCJRLAMJTKX-HNNXBMFYSA-N 0 1 385.464 3.279 20 0 GGADMN CCS(=O)(=O)c1cc(F)ccc1NC(=O)NC1CCN(C(C)(C)C)CC1 ZINC000184295752 1430869750 /nfs/dbraw/zinc/86/97/50/1430869750.db2.gz ZFVWRZPTADMSKU-UHFFFAOYSA-N 0 1 385.505 3.004 20 0 GGADMN C[S@](=O)Cc1ccccc1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000184297569 1430870039 /nfs/dbraw/zinc/87/00/39/1430870039.db2.gz QBXNYHFCTVSNIM-WINIVTDRSA-N 0 1 385.533 3.351 20 0 GGADMN COCCC(C)(C)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000184312095 1430872115 /nfs/dbraw/zinc/87/21/15/1430872115.db2.gz MEZIWAMWLONCRZ-UHFFFAOYSA-N 0 1 396.535 3.405 20 0 GGADMN COc1ccc2oc([C@@H](C)NCC(=O)NCc3ccc4c(c3)OCO4)c(C)c2c1 ZINC000184324723 1430873298 /nfs/dbraw/zinc/87/32/98/1430873298.db2.gz AFKXBRYQRWRHJR-CQSZACIVSA-N 0 1 396.443 3.446 20 0 GGADMN Cc1ccnn1-c1ccccc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1 ZINC000184327052 1430873443 /nfs/dbraw/zinc/87/34/43/1430873443.db2.gz LJJMZTOVJJCUDQ-UHFFFAOYSA-N 0 1 385.811 3.006 20 0 GGADMN C[S@@](=O)Cc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000184328789 1430873698 /nfs/dbraw/zinc/87/36/98/1430873698.db2.gz KSXINAGIANSGLS-AREMUKBSSA-N 0 1 395.594 3.048 20 0 GGADMN COc1ccc2oc([C@H](C)NCC(=O)NC(=O)NCc3ccco3)c(C)c2c1 ZINC000184331767 1430874242 /nfs/dbraw/zinc/87/42/42/1430874242.db2.gz KJJVTLLHONKKOG-ZDUSSCGKSA-N 0 1 385.420 3.019 20 0 GGADMN COc1ccc2oc([C@H](C)N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2c1 ZINC000184337333 1430874887 /nfs/dbraw/zinc/87/48/87/1430874887.db2.gz BLEPAUFPQIHHKQ-QWHCGFSZSA-N 0 1 375.469 3.413 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N1CCO[C@@H](C)C1 ZINC000184343860 1430875559 /nfs/dbraw/zinc/87/55/59/1430875559.db2.gz BXQYGJNHCIKRPN-QWHCGFSZSA-N 0 1 377.485 3.156 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)NC(=O)NCC(C)C ZINC000184343916 1430875801 /nfs/dbraw/zinc/87/58/01/1430875801.db2.gz ZGPTWHIUEPSZEB-LBPRGKRZSA-N 0 1 392.500 3.390 20 0 GGADMN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccccc2C[S@](C)=O)c1 ZINC000184347659 1430876045 /nfs/dbraw/zinc/87/60/45/1430876045.db2.gz CKDTVPQZIVEDSH-MHZLTWQESA-N 0 1 387.549 3.469 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c[nH]nc2C2CC2)CC1 ZINC000184349006 1430876221 /nfs/dbraw/zinc/87/62/21/1430876221.db2.gz CVUPUYLVDBWCST-CQSZACIVSA-N 0 1 385.487 3.059 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)NC1CCOCC1 ZINC000184349054 1430876298 /nfs/dbraw/zinc/87/62/98/1430876298.db2.gz RNAOQRPBHZMRGS-GFCCVEGCSA-N 0 1 377.485 3.203 20 0 GGADMN CCCNC(=O)NC(=O)CN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184348461 1430876333 /nfs/dbraw/zinc/87/63/33/1430876333.db2.gz JIJFIURDMGDDDS-NSHDSACASA-N 0 1 378.473 3.144 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](C)c1cc2ccccc2s1)c1ccccc1 ZINC000184354626 1430877383 /nfs/dbraw/zinc/87/73/83/1430877383.db2.gz JTIJZGVUBWENJJ-XOBRGWDASA-N 0 1 381.501 3.155 20 0 GGADMN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000184361007 1430878402 /nfs/dbraw/zinc/87/84/02/1430878402.db2.gz OUJYWQVEMJLABY-SFHVURJKSA-N 0 1 396.539 3.443 20 0 GGADMN CCCCCS(=O)(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000184379940 1430880865 /nfs/dbraw/zinc/88/08/65/1430880865.db2.gz FPRCMMCRXVWVTK-MRXNPFEDSA-N 0 1 385.549 3.138 20 0 GGADMN O=C(Nc1cccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1)c1ccncc1 ZINC000184381408 1430881135 /nfs/dbraw/zinc/88/11/35/1430881135.db2.gz AOLDPEFQULTGFH-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN COc1cc(CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184405063 1430883890 /nfs/dbraw/zinc/88/38/90/1430883890.db2.gz WBDRBXNNQBBNCP-CQSZACIVSA-N 0 1 383.420 3.135 20 0 GGADMN C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C1(Sc2ccccc2)CCCC1 ZINC000184412505 1430884731 /nfs/dbraw/zinc/88/47/31/1430884731.db2.gz YRGKRWFZACDCAY-SFHVURJKSA-N 0 1 375.582 3.234 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C(=O)NC2CCN(Cc3ccncc3)CC2)o1 ZINC000184415583 1430885294 /nfs/dbraw/zinc/88/52/94/1430885294.db2.gz CBJNPLOKDKRVKV-FQEVSTJZSA-N 0 1 398.507 3.332 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC000184417795 1430885646 /nfs/dbraw/zinc/88/56/46/1430885646.db2.gz XTHJSZCXYNIXSY-MRXNPFEDSA-N 0 1 384.528 3.369 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cc(-c2ccccc2)on1 ZINC000184418106 1430885690 /nfs/dbraw/zinc/88/56/90/1430885690.db2.gz UAQRDKBQRKPGPX-UHFFFAOYSA-N 0 1 390.403 3.360 20 0 GGADMN CCCN(Cc1cc(-c2cnn(C)c2C)no1)C[C@@H]1COc2ccccc2O1 ZINC000184438213 1430887725 /nfs/dbraw/zinc/88/77/25/1430887725.db2.gz LPQYMYOVPXDBMQ-QGZVFWFLSA-N 0 1 382.464 3.436 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000184468445 1430891178 /nfs/dbraw/zinc/89/11/78/1430891178.db2.gz HIDWHWIQPKPJAJ-UHFFFAOYSA-N 0 1 391.431 3.224 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000184477328 1430892190 /nfs/dbraw/zinc/89/21/90/1430892190.db2.gz CWVSPZMNLDOXGY-ROUUACIJSA-N 0 1 399.535 3.269 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC(C)(CO)CC2)N2CCCCC2)cc1 ZINC000184480061 1430892565 /nfs/dbraw/zinc/89/25/65/1430892565.db2.gz ZZDLQECKBYXXAF-FQEVSTJZSA-N 0 1 389.540 3.026 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000184494109 1430894637 /nfs/dbraw/zinc/89/46/37/1430894637.db2.gz LFUXVAIARISWLC-UHFFFAOYSA-N 0 1 387.486 3.358 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)(C)CCOC)CC1 ZINC000184500801 1430895552 /nfs/dbraw/zinc/89/55/52/1430895552.db2.gz TWTDXSTWQKGTHC-MRXNPFEDSA-N 0 1 379.520 3.208 20 0 GGADMN CCCN(CCc1cccs1)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000184507825 1430896394 /nfs/dbraw/zinc/89/63/94/1430896394.db2.gz GVGDKTMYPCSDPL-UHFFFAOYSA-N 0 1 387.534 3.159 20 0 GGADMN CCCN(CCc1cccs1)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000184509040 1430896483 /nfs/dbraw/zinc/89/64/83/1430896483.db2.gz KCVBLOZKGNACAK-UHFFFAOYSA-N 0 1 395.532 3.406 20 0 GGADMN CCCN(CCc1cccs1)CC(=O)Nc1ccccc1SCC(N)=O ZINC000184511462 1430896680 /nfs/dbraw/zinc/89/66/80/1430896680.db2.gz APQRGODOBPWDIG-UHFFFAOYSA-N 0 1 391.562 3.219 20 0 GGADMN COC(=O)CCNC(=O)CN[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184511412 1430896689 /nfs/dbraw/zinc/89/66/89/1430896689.db2.gz JBKOEYBTEGIABF-NSHDSACASA-N 0 1 395.912 3.102 20 0 GGADMN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184512734 1430897009 /nfs/dbraw/zinc/89/70/09/1430897009.db2.gz LPDQNSLBXSXEHK-CMPLNLGQSA-N 0 1 395.912 3.100 20 0 GGADMN CCCN(CCc1cccs1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000184515679 1430897232 /nfs/dbraw/zinc/89/72/32/1430897232.db2.gz BVIFMJVGINTOOU-UHFFFAOYSA-N 0 1 385.489 3.226 20 0 GGADMN Cc1cccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1C(=O)N1CCCC1 ZINC000184519176 1430897590 /nfs/dbraw/zinc/89/75/90/1430897590.db2.gz MFDCTBJJCOAHMX-UHFFFAOYSA-N 0 1 375.432 3.268 20 0 GGADMN O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184528104 1430898967 /nfs/dbraw/zinc/89/89/67/1430898967.db2.gz LYKWQKAZTIVVQT-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN Cc1ccnn1-c1ccccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000184537711 1430900483 /nfs/dbraw/zinc/90/04/83/1430900483.db2.gz HIOCASMTVZVYHM-UHFFFAOYSA-N 0 1 390.491 3.362 20 0 GGADMN Cc1c(-c2cc(CN3CCC([C@H](O)c4ccc(F)cc4)CC3)on2)cnn1C ZINC000184540498 1430900764 /nfs/dbraw/zinc/90/07/64/1430900764.db2.gz MHVLRFUGOCYLKX-OAQYLSRUSA-N 0 1 384.455 3.468 20 0 GGADMN Cc1ccnn1-c1ccccc1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000184545329 1430902172 /nfs/dbraw/zinc/90/21/72/1430902172.db2.gz BHQMKCNXWSTAMP-UHFFFAOYSA-N 0 1 390.491 3.362 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)c(Cl)c1F ZINC000184562085 1430905395 /nfs/dbraw/zinc/90/53/95/1430905395.db2.gz RGSZDKYOQZMFMF-RHSMWYFYSA-N 0 1 394.849 3.231 20 0 GGADMN COC[C@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1 ZINC000184565699 1430905892 /nfs/dbraw/zinc/90/58/92/1430905892.db2.gz MKOOYVVPTZSYSP-ZDUSSCGKSA-N 0 1 382.342 3.091 20 0 GGADMN COC1(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCCCC1 ZINC000184572145 1430907255 /nfs/dbraw/zinc/90/72/55/1430907255.db2.gz KQKASHXVGZRFKE-MRXNPFEDSA-N 0 1 377.504 3.104 20 0 GGADMN C[C@H](CNS(=O)(=O)C1=Cc2ccccc2OCC1)N(C)Cc1ccccc1 ZINC000184577243 1430908008 /nfs/dbraw/zinc/90/80/08/1430908008.db2.gz WWERQMNULUKQEH-QGZVFWFLSA-N 0 1 386.517 3.250 20 0 GGADMN CCn1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)ccc1=O ZINC000184585553 1430910348 /nfs/dbraw/zinc/91/03/48/1430910348.db2.gz CDWFTHUIDFRKRJ-MRXNPFEDSA-N 0 1 396.413 3.311 20 0 GGADMN CN(C)[C@H](CNC(=O)CN1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000184603705 1430915947 /nfs/dbraw/zinc/91/59/47/1430915947.db2.gz HHDLXAAYKPJPAI-RTBURBONSA-N 0 1 399.560 3.204 20 0 GGADMN Cn1cc([C@@H](NCCCOc2ccc3c(c2)OCO3)c2ccc(F)cc2)cn1 ZINC000184606852 1430918083 /nfs/dbraw/zinc/91/80/83/1430918083.db2.gz UVXUQIGXVIAJOU-NRFANRHFSA-N 0 1 383.423 3.436 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000184607601 1430918177 /nfs/dbraw/zinc/91/81/77/1430918177.db2.gz RRZFMQIDVFLVFN-QGZVFWFLSA-N 0 1 380.851 3.226 20 0 GGADMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000184621252 1430922015 /nfs/dbraw/zinc/92/20/15/1430922015.db2.gz VDEQYVIJLOEDEP-UHFFFAOYSA-N 0 1 391.174 3.003 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)cc2F)C[C@@H](C)O1 ZINC000184622214 1430922046 /nfs/dbraw/zinc/92/20/46/1430922046.db2.gz MGTOMOMMQYFGBQ-ZIAGYGMSSA-N 0 1 395.438 3.477 20 0 GGADMN C[C@@H](c1cnccn1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000184631025 1430924232 /nfs/dbraw/zinc/92/42/32/1430924232.db2.gz CHEHJQIWJZOMEF-STQMWFEESA-N 0 1 376.386 3.479 20 0 GGADMN C[C@H](NC(=O)NC1Cc2ccccc2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000184634494 1430925501 /nfs/dbraw/zinc/92/55/01/1430925501.db2.gz BACSARJVYKUYJO-INIZCTEOSA-N 0 1 396.510 3.105 20 0 GGADMN C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H](C)O1 ZINC000184641157 1430927659 /nfs/dbraw/zinc/92/76/59/1430927659.db2.gz DGALGOKLCCMEGN-HOTGVXAUSA-N 0 1 391.475 3.333 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H](C)O1 ZINC000184641182 1430927698 /nfs/dbraw/zinc/92/76/98/1430927698.db2.gz DGALGOKLCCMEGN-HZPDHXFCSA-N 0 1 391.475 3.333 20 0 GGADMN CCOc1cc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)ccc1OC(F)F ZINC000184647500 1430929046 /nfs/dbraw/zinc/92/90/46/1430929046.db2.gz PEMAJAHCJXMTNK-UHFFFAOYSA-N 0 1 388.374 3.402 20 0 GGADMN COC(=O)COc1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000184645871 1430929077 /nfs/dbraw/zinc/92/90/77/1430929077.db2.gz OURGQEPKYVPIDN-UHFFFAOYSA-N 0 1 397.406 3.040 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CCCCc2cn[nH]n2)cc1Cl ZINC000184650527 1430929838 /nfs/dbraw/zinc/92/98/38/1430929838.db2.gz JQEFNVWHVPHIAK-UHFFFAOYSA-N 0 1 377.876 3.292 20 0 GGADMN CCN(CC(F)F)C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000184661047 1430933829 /nfs/dbraw/zinc/93/38/29/1430933829.db2.gz YNMMBDQPAKACQM-UHFFFAOYSA-N 0 1 383.464 3.359 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)NNC(=O)c3ccc(O)c(Cl)c3)cc21 ZINC000184670036 1430936952 /nfs/dbraw/zinc/93/69/52/1430936952.db2.gz MTIVRIOCYJNGJH-UHFFFAOYSA-N 0 1 387.827 3.443 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000184675894 1430939676 /nfs/dbraw/zinc/93/96/76/1430939676.db2.gz MSPPOELCZITRLH-OAHLLOKOSA-N 0 1 388.462 3.389 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000184691717 1430944189 /nfs/dbraw/zinc/94/41/89/1430944189.db2.gz TXTWGVJBRWAAJK-UHFFFAOYSA-N 0 1 376.888 3.036 20 0 GGADMN COCCC(C)(C)C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000184692489 1430944330 /nfs/dbraw/zinc/94/43/30/1430944330.db2.gz ROLNJRIORXAHGV-UHFFFAOYSA-N 0 1 391.556 3.193 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)CCCCc1cn[nH]n1 ZINC000184692651 1430944347 /nfs/dbraw/zinc/94/43/47/1430944347.db2.gz BPHOWYYXOLLYLD-UHFFFAOYSA-N 0 1 380.496 3.287 20 0 GGADMN NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(F)cc1 ZINC000184712186 1430949693 /nfs/dbraw/zinc/94/96/93/1430949693.db2.gz RMCRRZWZOIYSGC-YOEHRIQHSA-N 0 1 381.373 3.239 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CCCCc2cn[nH]n2)C1 ZINC000184736221 1430958850 /nfs/dbraw/zinc/95/88/50/1430958850.db2.gz PAYHNEZNIYVTFR-HNNXBMFYSA-N 0 1 375.904 3.122 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)c1ccco1 ZINC000184735865 1430959135 /nfs/dbraw/zinc/95/91/35/1430959135.db2.gz USLDIOYOVISXJV-LJQANCHMSA-N 0 1 385.508 3.356 20 0 GGADMN CSCc1ccccc1NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000184743748 1430962224 /nfs/dbraw/zinc/96/22/24/1430962224.db2.gz SEOOGMZGOVVKFR-MOPGFXCFSA-N 0 1 385.533 3.307 20 0 GGADMN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184744242 1430963014 /nfs/dbraw/zinc/96/30/14/1430963014.db2.gz BYESBXGBPOHOPE-UHFFFAOYSA-N 0 1 381.399 3.434 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCSC[C@H]1c1nccs1 ZINC000184745562 1430963067 /nfs/dbraw/zinc/96/30/67/1430963067.db2.gz UQDCAFPDKHRLLK-CABCVRRESA-N 0 1 392.550 3.373 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184744098 1430963139 /nfs/dbraw/zinc/96/31/39/1430963139.db2.gz HRIWSFKSYMTXQF-LIRRHRJNSA-N 0 1 385.895 3.224 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000184744542 1430963475 /nfs/dbraw/zinc/96/34/75/1430963475.db2.gz HZLGTTSWOJEHCN-OXJNMPFZSA-N 0 1 397.544 3.374 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184744082 1430963563 /nfs/dbraw/zinc/96/35/63/1430963563.db2.gz HRIWSFKSYMTXQF-IFXJQAMLSA-N 0 1 385.895 3.224 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)OCc1ccccc1 ZINC000184747048 1430964250 /nfs/dbraw/zinc/96/42/50/1430964250.db2.gz KREWDVZZIRPUHI-SFHVURJKSA-N 0 1 397.519 3.381 20 0 GGADMN COCC(=O)N1CCc2c1cccc2NC(=O)c1cn[nH]c1-c1ccc(F)cc1 ZINC000184747643 1430964328 /nfs/dbraw/zinc/96/43/28/1430964328.db2.gz NYOZLYGTZJAXSW-UHFFFAOYSA-N 0 1 394.406 3.004 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184748585 1430965080 /nfs/dbraw/zinc/96/50/80/1430965080.db2.gz YHUKXLVMUYPROB-UHFFFAOYSA-N 0 1 375.432 3.350 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000184756815 1430967914 /nfs/dbraw/zinc/96/79/14/1430967914.db2.gz PFLZRTYDCWGWJB-HNNXBMFYSA-N 0 1 395.931 3.288 20 0 GGADMN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000184761711 1430969615 /nfs/dbraw/zinc/96/96/15/1430969615.db2.gz MMPUUXJZXIZZFZ-PGRDOPGGSA-N 0 1 378.520 3.052 20 0 GGADMN CSCc1ccccc1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000184767819 1430971640 /nfs/dbraw/zinc/97/16/40/1430971640.db2.gz LSQWZJHHCPBEAP-LJQANCHMSA-N 0 1 385.533 3.090 20 0 GGADMN O=C(c1cccnc1NCc1n[nH]c(COc2ccccc2)n1)N1CCCCC1 ZINC000184778787 1430974773 /nfs/dbraw/zinc/97/47/73/1430974773.db2.gz FRCFGIKDSXINGQ-UHFFFAOYSA-N 0 1 392.463 3.017 20 0 GGADMN CSCc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000184790950 1430978358 /nfs/dbraw/zinc/97/83/58/1430978358.db2.gz IVDLZNXAAMVKSL-UHFFFAOYSA-N 0 1 385.537 3.018 20 0 GGADMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000184803235 1430982483 /nfs/dbraw/zinc/98/24/83/1430982483.db2.gz BTRXIFLCYJGYRF-JKIFEVAISA-N 0 1 387.446 3.253 20 0 GGADMN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184816285 1430987652 /nfs/dbraw/zinc/98/76/52/1430987652.db2.gz QKZNAAVJGSBLRH-UHFFFAOYSA-N 0 1 390.447 3.029 20 0 GGADMN Cc1csc(=O)n1CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000184824064 1430991368 /nfs/dbraw/zinc/99/13/68/1430991368.db2.gz FOMZQVSVRFRVGN-UHFFFAOYSA-N 0 1 391.537 3.245 20 0 GGADMN Cc1csc(=O)n1CCN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000184824064 1430991376 /nfs/dbraw/zinc/99/13/76/1430991376.db2.gz FOMZQVSVRFRVGN-UHFFFAOYSA-N 0 1 391.537 3.245 20 0 GGADMN CN(C)c1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cn1 ZINC000184828115 1430992868 /nfs/dbraw/zinc/99/28/68/1430992868.db2.gz PMRULWKJSQTSIJ-INIZCTEOSA-N 0 1 380.414 3.199 20 0 GGADMN CN(C)c1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cn1 ZINC000184828136 1430993622 /nfs/dbraw/zinc/99/36/22/1430993622.db2.gz PMRULWKJSQTSIJ-MRXNPFEDSA-N 0 1 380.414 3.199 20 0 GGADMN CN(C)[C@H](CNC(=O)Cc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC000184828596 1430994317 /nfs/dbraw/zinc/99/43/17/1430994317.db2.gz AUBZTWIYBLSINA-OAHLLOKOSA-N 0 1 396.438 3.376 20 0 GGADMN Cc1cccc(C)c1NC(=O)CCCN[C@H](C)c1nnnn1-c1ccccc1 ZINC000184834437 1430997482 /nfs/dbraw/zinc/99/74/82/1430997482.db2.gz USPGEQVRMMEUQG-QGZVFWFLSA-N 0 1 378.480 3.349 20 0 GGADMN Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184838715 1430998796 /nfs/dbraw/zinc/99/87/96/1430998796.db2.gz UJLMFHSGUKTJFQ-QGZVFWFLSA-N 0 1 382.430 3.017 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000184845205 1431001341 /nfs/dbraw/zinc/00/13/41/1431001341.db2.gz BRGPCUQWPJVTFA-HKUYNNGSSA-N 0 1 376.522 3.177 20 0 GGADMN CCOCCONC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000184847294 1431001705 /nfs/dbraw/zinc/00/17/05/1431001705.db2.gz XFNRBFKKPDQFLT-UHFFFAOYSA-N 0 1 385.283 3.199 20 0 GGADMN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(C[S@](C)=O)c1 ZINC000184852806 1431003319 /nfs/dbraw/zinc/00/33/19/1431003319.db2.gz UFTXFGHPOVDIMC-ZBLYBZFDSA-N 0 1 386.561 3.452 20 0 GGADMN CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000184878921 1431010758 /nfs/dbraw/zinc/01/07/58/1431010758.db2.gz ZCXKEWDJSRBKBB-UHFFFAOYSA-N 0 1 377.448 3.386 20 0 GGADMN CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(F)cc1 ZINC000184880529 1431010951 /nfs/dbraw/zinc/01/09/51/1431010951.db2.gz HQVRERVFGXSDNZ-KRWDZBQOSA-N 0 1 382.395 3.035 20 0 GGADMN C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000184881952 1431011379 /nfs/dbraw/zinc/01/13/79/1431011379.db2.gz RFPQTVPVAMBTKI-AWEZNQCLSA-N 0 1 375.432 3.090 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CC3(CSc4ccccc4)CC3)C2)CC1 ZINC000184883746 1431011931 /nfs/dbraw/zinc/01/19/31/1431011931.db2.gz UBQVJZRWOSHWNO-IBGZPJMESA-N 0 1 387.593 3.187 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000184883974 1431012134 /nfs/dbraw/zinc/01/21/34/1431012134.db2.gz WCHXEUMVYHSXJW-LJQANCHMSA-N 0 1 397.485 3.267 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)NCCN(C)Cc3ccc(F)cc3)cc12 ZINC000184894382 1431014934 /nfs/dbraw/zinc/01/49/34/1431014934.db2.gz QJFPIOOBHZMIAI-UHFFFAOYSA-N 0 1 383.423 3.067 20 0 GGADMN CN1CC[C@@H](CNC(=O)N2CCC(C)(CO)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000184898817 1431016639 /nfs/dbraw/zinc/01/66/39/1431016639.db2.gz NLTGKYIUXTZOJA-MAUKXSAKSA-N 0 1 397.922 3.276 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(COc2ccccc2F)on1)c1cccs1 ZINC000184904377 1431017595 /nfs/dbraw/zinc/01/75/95/1431017595.db2.gz VSXDPYBGXPMJNM-INIZCTEOSA-N 0 1 389.452 3.487 20 0 GGADMN COCCC(C)(C)CNC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000184904400 1431017822 /nfs/dbraw/zinc/01/78/22/1431017822.db2.gz CGPDXIQQWCUYPW-GOSISDBHSA-N 0 1 377.529 3.194 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCC1(C)OCCO1)c1ccccc1Cl ZINC000184904446 1431017937 /nfs/dbraw/zinc/01/79/37/1431017937.db2.gz XUAWLPAUMVOZFN-QGZVFWFLSA-N 0 1 383.920 3.175 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CCN1Cc1ccccc1 ZINC000184914070 1431019979 /nfs/dbraw/zinc/01/99/79/1431019979.db2.gz DVDUJJRZGWXIKV-SFHVURJKSA-N 0 1 393.462 3.404 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000184920324 1431021579 /nfs/dbraw/zinc/02/15/79/1431021579.db2.gz ABYZHAOCVLKXMD-SFHVURJKSA-N 0 1 383.517 3.192 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCc2c1cccc2C(F)(F)F)N1CCN(C)CC1 ZINC000184922247 1431021925 /nfs/dbraw/zinc/02/19/25/1431021925.db2.gz UCSRXRXWMMNVCU-SFHVURJKSA-N 0 1 398.473 3.050 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccc(O)c(OC)c2)CCN1Cc1ccccc1 ZINC000184924723 1431022678 /nfs/dbraw/zinc/02/26/78/1431022678.db2.gz BBLWFWNEJAGDDW-LJQANCHMSA-N 0 1 383.492 3.207 20 0 GGADMN CCCC[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000184947806 1431028381 /nfs/dbraw/zinc/02/83/81/1431028381.db2.gz YWNSAZXWRZJRFG-QAPCUYQASA-N 0 1 386.414 3.201 20 0 GGADMN CSc1cccc(C)c1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000184975374 1431034782 /nfs/dbraw/zinc/03/47/82/1431034782.db2.gz CACKGFXTZWDWSI-GOSISDBHSA-N 0 1 385.533 3.258 20 0 GGADMN O=C(NCC1CC1)C1(NCc2nc3ccc(Br)cc3[nH]2)CCCC1 ZINC000184988517 1431036857 /nfs/dbraw/zinc/03/68/57/1431036857.db2.gz QIHFDPOBBVGVDA-UHFFFAOYSA-N 0 1 391.313 3.254 20 0 GGADMN O=C(NCc1ccc(C(=O)Nc2ccncc2)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184989756 1431037069 /nfs/dbraw/zinc/03/70/69/1431037069.db2.gz YHAXZVGDLDULEB-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000184995917 1431038107 /nfs/dbraw/zinc/03/81/07/1431038107.db2.gz RUGDCLDUNVQQHL-SFHVURJKSA-N 0 1 383.517 3.192 20 0 GGADMN CSc1cccc(C)c1NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000184998524 1431038855 /nfs/dbraw/zinc/03/88/55/1431038855.db2.gz IEPKWDOFTICOOQ-ROUUACIJSA-N 0 1 385.533 3.474 20 0 GGADMN CSc1cccc(C)c1NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000185026084 1431044320 /nfs/dbraw/zinc/04/43/20/1431044320.db2.gz MBCNIQPRRWZYCG-UHFFFAOYSA-N 0 1 385.537 3.185 20 0 GGADMN Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)CC[NH+](C)C ZINC000185035550 1431045978 /nfs/dbraw/zinc/04/59/78/1431045978.db2.gz MKQYAALKOIJRAI-UHFFFAOYSA-N 0 1 395.912 3.339 20 0 GGADMN CC[C@H]1CN(C(=O)NC[C@@H](C)CC2(C)OCCO2)CCN1Cc1ccccc1 ZINC000185039434 1431047218 /nfs/dbraw/zinc/04/72/18/1431047218.db2.gz PTTNDUIMHUPJIC-ICSRJNTNSA-N 0 1 389.540 3.082 20 0 GGADMN C[C@H](CCc1ccccc1)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185041647 1431047480 /nfs/dbraw/zinc/04/74/80/1431047480.db2.gz PJLKUBFUJJOBGX-MRXNPFEDSA-N 0 1 379.464 3.204 20 0 GGADMN CC(C)(C)OC(=O)c1ccccc1OCCN1CCCN(CC(F)F)CC1 ZINC000185045484 1431048337 /nfs/dbraw/zinc/04/83/37/1431048337.db2.gz ICISUJIUDKDTEY-UHFFFAOYSA-N 0 1 384.467 3.294 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000185049802 1431049426 /nfs/dbraw/zinc/04/94/26/1431049426.db2.gz XXDLVKIKGUUXAX-UHFFFAOYSA-N 0 1 384.379 3.280 20 0 GGADMN CCCCn1c(=S)n(CN2CC=C(COC)CC2)nc1[C@H](CC)N(C)C ZINC000185052143 1431049749 /nfs/dbraw/zinc/04/97/49/1431049749.db2.gz WKOYIXSUMNXXQK-KRWDZBQOSA-N 0 1 381.590 3.463 20 0 GGADMN C[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1cn(C)c2ccccc12 ZINC000185053219 1431049872 /nfs/dbraw/zinc/04/98/72/1431049872.db2.gz DAOZXYAIRMYAIE-KRWDZBQOSA-N 0 1 376.504 3.458 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cn1)c1cn(C)c2ccccc12 ZINC000185054965 1431050485 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GGADMN CC[C@@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(OC)cc1 ZINC000185072720 1431054189 /nfs/dbraw/zinc/05/41/89/1431054189.db2.gz PCLRRPQLHRUDTF-GOSISDBHSA-N 0 1 395.463 3.343 20 0 GGADMN CC[C@H](CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1 ZINC000185078031 1431055349 /nfs/dbraw/zinc/05/53/49/1431055349.db2.gz VRTVMISQBBNHCD-MRXNPFEDSA-N 0 1 379.464 3.377 20 0 GGADMN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000185079505 1431055646 /nfs/dbraw/zinc/05/56/46/1431055646.db2.gz RVJFDRQXGSDQCH-ZDUSSCGKSA-N 0 1 377.282 3.464 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(Cc1ncc(-c3cccc(Cl)c3)o1)CC2 ZINC000185092645 1431058897 /nfs/dbraw/zinc/05/88/97/1431058897.db2.gz LOFPFGBEAKNKSA-UHFFFAOYSA-N 0 1 389.839 3.279 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(Cn3cccn3)c2)cc1 ZINC000185093992 1431059340 /nfs/dbraw/zinc/05/93/40/1431059340.db2.gz ZJEFNKZKVQEABN-GOSISDBHSA-N 0 1 383.517 3.192 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@@H](c1ccccc1)C1CC1 ZINC000185101067 1431061535 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20 0 GGADMN CCN(CC(=O)Nc1ccccc1OC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185154019 1431073530 /nfs/dbraw/zinc/07/35/30/1431073530.db2.gz FOTAYJCAYUUMMZ-UHFFFAOYSA-N 0 1 389.540 3.240 20 0 GGADMN O=C([C@@H](Cc1ccccc1)NCc1cnc(C2CCCC2)s1)N1CCOCC1 ZINC000185156456 1431074013 /nfs/dbraw/zinc/07/40/13/1431074013.db2.gz RYRBYACWPJTBCN-HXUWFJFHSA-N 0 1 399.560 3.360 20 0 GGADMN CC(C)(C)OCc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)no1 ZINC000185161236 1431074578 /nfs/dbraw/zinc/07/45/78/1431074578.db2.gz NDAIDPIVXMQTJG-UHFFFAOYSA-N 0 1 381.542 3.081 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC[C@@H]1CCCc2ccccc21 ZINC000185162141 1431075127 /nfs/dbraw/zinc/07/51/27/1431075127.db2.gz PYZRDYDSDXAQOV-KRWDZBQOSA-N 0 1 391.475 3.303 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC[C@H]1CCCc2ccccc21 ZINC000185162160 1431075153 /nfs/dbraw/zinc/07/51/53/1431075153.db2.gz PYZRDYDSDXAQOV-QGZVFWFLSA-N 0 1 391.475 3.303 20 0 GGADMN O=C([C@@H](Cc1ccccc1)NCc1ccc(F)c(Cl)c1)N1CCOCC1 ZINC000185164256 1431075500 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CCOC(=O)Cc1csc(NC(=O)CN(C2CC2)C2CCC(C)CC2)n1 ZINC000185191353 1431081096 /nfs/dbraw/zinc/08/10/96/1431081096.db2.gz FGCVPDHCJDVXLI-UHFFFAOYSA-N 0 1 379.526 3.230 20 0 GGADMN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185198124 1431082363 /nfs/dbraw/zinc/08/23/63/1431082363.db2.gz JWIWKPIXXSVHIV-UHFFFAOYSA-N 0 1 375.425 3.166 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3cc(-c4cnn(C)c4C)no3)n2)cc1 ZINC000185203226 1431084186 /nfs/dbraw/zinc/08/41/86/1431084186.db2.gz GRVFZIUDOUMNBP-UHFFFAOYSA-N 0 1 382.449 3.470 20 0 GGADMN O=C1OCCN1Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185208540 1431085275 /nfs/dbraw/zinc/08/52/75/1431085275.db2.gz PYAGGQUKSGZPRG-UHFFFAOYSA-N 0 1 389.408 3.060 20 0 GGADMN COC(=O)N(C)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185216071 1431086894 /nfs/dbraw/zinc/08/68/94/1431086894.db2.gz SNNURMSLEDYXDP-UHFFFAOYSA-N 0 1 377.397 3.310 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185218277 1431087752 /nfs/dbraw/zinc/08/77/52/1431087752.db2.gz OTELCIAPZGQEHE-LLVKDONJSA-N 0 1 391.424 3.081 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185219825 1431088116 /nfs/dbraw/zinc/08/81/16/1431088116.db2.gz MBFYWNIVYSESHB-UHFFFAOYSA-N 0 1 376.413 3.249 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@@H]1CCc2cc(F)ccc21 ZINC000185227846 1431089365 /nfs/dbraw/zinc/08/93/65/1431089365.db2.gz YXKVUWHVFCKIMJ-QGZVFWFLSA-N 0 1 381.411 3.010 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@H]2C(C)(C)O)N2CCCCC2)cc1 ZINC000185226221 1431089492 /nfs/dbraw/zinc/08/94/92/1431089492.db2.gz BJKHXQZMPORMDZ-PMACEKPBSA-N 0 1 389.540 3.167 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H](C)c2ncc(C)s2)N(C)C)c1 ZINC000185237968 1431091249 /nfs/dbraw/zinc/09/12/49/1431091249.db2.gz HWLMMDQWAWQRHJ-DYVFJYSZSA-N 0 1 376.526 3.166 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H](C)c2nc(C)cs2)N(C)C)c1 ZINC000185237899 1431091371 /nfs/dbraw/zinc/09/13/71/1431091371.db2.gz VECPFCPIDSSYJS-DYVFJYSZSA-N 0 1 376.526 3.166 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@H](C)c2nc(C)cs2)N(C)C)c1 ZINC000185237880 1431091404 /nfs/dbraw/zinc/09/14/04/1431091404.db2.gz VECPFCPIDSSYJS-GUYCJALGSA-N 0 1 376.526 3.166 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@@H](C)c2ncc(C)s2)N(C)C)c1 ZINC000185237997 1431091450 /nfs/dbraw/zinc/09/14/50/1431091450.db2.gz HWLMMDQWAWQRHJ-CXAGYDPISA-N 0 1 376.526 3.166 20 0 GGADMN COc1ccc(C[C@H](C)CN2CCN(Cc3c(C)noc3C)CC2)cc1F ZINC000185239821 1431091920 /nfs/dbraw/zinc/09/19/20/1431091920.db2.gz ZKVRTWODMYZKAH-HNNXBMFYSA-N 0 1 375.488 3.436 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3c[nH]c4cccc(F)c43)cc2)CCO1 ZINC000185251441 1431093876 /nfs/dbraw/zinc/09/38/76/1431093876.db2.gz BONVBBKYJGJUGD-CYBMUJFWSA-N 0 1 389.452 3.333 20 0 GGADMN C[C@H]1COCCN1c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185252449 1431094285 /nfs/dbraw/zinc/09/42/85/1431094285.db2.gz PGBAOBJVWKGSLG-ZDUSSCGKSA-N 0 1 389.452 3.333 20 0 GGADMN O=C1NCCCN1c1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185257063 1431095004 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CCOc1cccc([C@@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185287750 1431100141 /nfs/dbraw/zinc/10/01/41/1431100141.db2.gz ALYLZLOYQBAVJB-OAHLLOKOSA-N 0 1 395.463 3.343 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000185288843 1431100793 /nfs/dbraw/zinc/10/07/93/1431100793.db2.gz OYXQOAAHMAECRF-FQEVSTJZSA-N 0 1 388.558 3.347 20 0 GGADMN Cc1c(-c2cc(CSc3nc(O)cc(=O)n3C3CCCC3)on2)cnn1C ZINC000185290729 1431101571 /nfs/dbraw/zinc/10/15/71/1431101571.db2.gz GFGSOMCUSSTGNY-UHFFFAOYSA-N 0 1 387.465 3.053 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000185292265 1431101939 /nfs/dbraw/zinc/10/19/39/1431101939.db2.gz KNDPDGZWOCKFJU-QGZVFWFLSA-N 0 1 376.416 3.220 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000185294063 1431102694 /nfs/dbraw/zinc/10/26/94/1431102694.db2.gz SNQGAUIEUWZZBC-IBGZPJMESA-N 0 1 390.480 3.369 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000185294045 1431102777 /nfs/dbraw/zinc/10/27/77/1431102777.db2.gz SNQGAUIEUWZZBC-LJQANCHMSA-N 0 1 390.480 3.369 20 0 GGADMN O=C(NCCCc1ccc(Cl)cc1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185309017 1431108120 /nfs/dbraw/zinc/10/81/20/1431108120.db2.gz BFPPHVIFDFPPFS-UHFFFAOYSA-N 0 1 399.882 3.469 20 0 GGADMN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000185312999 1431109894 /nfs/dbraw/zinc/10/98/94/1431109894.db2.gz HHMDCXHNDAKXEY-LJQANCHMSA-N 0 1 387.568 3.126 20 0 GGADMN C[C@H](Cc1noc(-c2ccc(-c3nnc[nH]3)cc2)n1)N(C)C(=O)OC(C)(C)C ZINC000185314571 1431110554 /nfs/dbraw/zinc/11/05/54/1431110554.db2.gz YOYJDQCPFKGQST-GFCCVEGCSA-N 0 1 384.440 3.320 20 0 GGADMN C[C@H](NC(=O)N1CCCC[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327614 1431115792 /nfs/dbraw/zinc/11/57/92/1431115792.db2.gz GIZIDGUNMNCLSC-SJORKVTESA-N 0 1 376.520 3.470 20 0 GGADMN CSCCCCCNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327987 1431115947 /nfs/dbraw/zinc/11/59/47/1431115947.db2.gz NJEWAWMBINCRAX-INIZCTEOSA-N 0 1 396.576 3.471 20 0 GGADMN CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327527 1431116028 /nfs/dbraw/zinc/11/60/28/1431116028.db2.gz CVLUUKUZKBTBLV-TXPKVOOTSA-N 0 1 376.520 3.469 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000185331263 1431116624 /nfs/dbraw/zinc/11/66/24/1431116624.db2.gz ZHOOROUKDPDIEW-LJQANCHMSA-N 0 1 375.472 3.265 20 0 GGADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1N(C)C ZINC000185341675 1431120420 /nfs/dbraw/zinc/12/04/20/1431120420.db2.gz MIQUDFXXQXFLRU-UTKZUKDTSA-N 0 1 399.510 3.012 20 0 GGADMN CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1OC ZINC000185345898 1431121554 /nfs/dbraw/zinc/12/15/54/1431121554.db2.gz IEOLUKZLRLHEGZ-RTWAWAEBSA-N 0 1 382.504 3.206 20 0 GGADMN CC[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1Cc1ccccc1 ZINC000185346101 1431121603 /nfs/dbraw/zinc/12/16/03/1431121603.db2.gz LBQYACAZZYLLBB-LJQANCHMSA-N 0 1 382.508 3.393 20 0 GGADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cnc2ccsc2c1 ZINC000185348233 1431122280 /nfs/dbraw/zinc/12/22/80/1431122280.db2.gz XBFPLYRFIFGYBP-UZLBHIALSA-N 0 1 395.528 3.417 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCN1Cc1ccccc1 ZINC000185352523 1431123262 /nfs/dbraw/zinc/12/32/62/1431123262.db2.gz UHHWKKXKUXQQOB-UYAOXDASSA-N 0 1 377.488 3.235 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360167 1431125772 /nfs/dbraw/zinc/12/57/72/1431125772.db2.gz QCPVWJGAZMNIKA-ROUUACIJSA-N 0 1 379.932 3.422 20 0 GGADMN CC[C@H]1CN(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)CCN1Cc1ccccc1 ZINC000185360636 1431125923 /nfs/dbraw/zinc/12/59/23/1431125923.db2.gz VTBLETJDMVWUGC-UWJYYQICSA-N 0 1 382.552 3.339 20 0 GGADMN CC[C@H]1CN(C(=O)CCC2CCN(C(C)=O)CC2)CCN1Cc1ccccc1 ZINC000185360684 1431125953 /nfs/dbraw/zinc/12/59/53/1431125953.db2.gz HFMFUBLNBBDIIH-QFIPXVFZSA-N 0 1 385.552 3.148 20 0 GGADMN Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000185371439 1431128489 /nfs/dbraw/zinc/12/84/89/1431128489.db2.gz WFCMYDWYJSDREA-UHFFFAOYSA-N 0 1 389.503 3.180 20 0 GGADMN CCCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185380272 1431130781 /nfs/dbraw/zinc/13/07/81/1431130781.db2.gz BYFZMHIICGQVAI-QGZVFWFLSA-N 0 1 399.495 3.333 20 0 GGADMN COCCC[C@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382090 1431131163 /nfs/dbraw/zinc/13/11/63/1431131163.db2.gz OJKVSTRWCYVMBC-LBPRGKRZSA-N 0 1 396.285 3.264 20 0 GGADMN COCCC[C@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382090 1431131169 /nfs/dbraw/zinc/13/11/69/1431131169.db2.gz OJKVSTRWCYVMBC-LBPRGKRZSA-N 0 1 396.285 3.264 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000185382777 1431131696 /nfs/dbraw/zinc/13/16/96/1431131696.db2.gz MDMYRAVOFRDLLQ-IBGZPJMESA-N 0 1 380.492 3.216 20 0 GGADMN C=CCCO[C@@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382218 1431131827 /nfs/dbraw/zinc/13/18/27/1431131827.db2.gz PSIIEGBFUKZSRU-LBPRGKRZSA-N 0 1 394.269 3.182 20 0 GGADMN C=CCCO[C@@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382218 1431131831 /nfs/dbraw/zinc/13/18/31/1431131831.db2.gz PSIIEGBFUKZSRU-LBPRGKRZSA-N 0 1 394.269 3.182 20 0 GGADMN Cc1ncccc1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185383061 1431131852 /nfs/dbraw/zinc/13/18/52/1431131852.db2.gz NAFFFMWWUALSRS-UHFFFAOYSA-N 0 1 387.237 3.218 20 0 GGADMN Cc1ncccc1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185383061 1431131855 /nfs/dbraw/zinc/13/18/55/1431131855.db2.gz NAFFFMWWUALSRS-UHFFFAOYSA-N 0 1 387.237 3.218 20 0 GGADMN CSC[C@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185383778 1431132097 /nfs/dbraw/zinc/13/20/97/1431132097.db2.gz QYARTHYJXSUROL-JTQLQIEISA-N 0 1 384.299 3.200 20 0 GGADMN CSC[C@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185383778 1431132101 /nfs/dbraw/zinc/13/21/01/1431132101.db2.gz QYARTHYJXSUROL-JTQLQIEISA-N 0 1 384.299 3.200 20 0 GGADMN CC(C)(C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccc(Cl)c1F ZINC000185385499 1431132877 /nfs/dbraw/zinc/13/28/77/1431132877.db2.gz CCFUZUGSNVDVOR-OAHLLOKOSA-N 0 1 382.907 3.328 20 0 GGADMN O=C(NCC1(CO)CCCC1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185395157 1431135253 /nfs/dbraw/zinc/13/52/53/1431135253.db2.gz PNUIOOHKFJHGSE-QGZVFWFLSA-N 0 1 399.457 3.132 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000185400168 1431136175 /nfs/dbraw/zinc/13/61/75/1431136175.db2.gz VBIHXGSVGRYUEK-SJORKVTESA-N 0 1 396.553 3.146 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000185400206 1431136283 /nfs/dbraw/zinc/13/62/83/1431136283.db2.gz VBIHXGSVGRYUEK-IAGOWNOFSA-N 0 1 396.553 3.146 20 0 GGADMN Cc1ccc([C@@H](OC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O)c2ccccc2)cc1 ZINC000185400925 1431136780 /nfs/dbraw/zinc/13/67/80/1431136780.db2.gz DGEFVWJSUCEQRX-DEGXZROYSA-N 0 1 389.561 3.161 20 0 GGADMN Cc1ccc([C@@H](OC[C@@H](O)CN(C)[C@@H](C)C[S@](C)=O)c2ccccc2)cc1 ZINC000185400959 1431136913 /nfs/dbraw/zinc/13/69/13/1431136913.db2.gz DGEFVWJSUCEQRX-PLJDGTNTSA-N 0 1 389.561 3.161 20 0 GGADMN CC(C)(CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1cccc(F)c1 ZINC000185410354 1431138654 /nfs/dbraw/zinc/13/86/54/1431138654.db2.gz UGNOOYVVDAITHO-UHFFFAOYSA-N 0 1 397.454 3.300 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185416288 1431140627 /nfs/dbraw/zinc/14/06/27/1431140627.db2.gz MWVMMBFSPLCNDG-UNMCSNQZSA-N 0 1 383.467 3.295 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185416271 1431140690 /nfs/dbraw/zinc/14/06/90/1431140690.db2.gz MWVMMBFSPLCNDG-IRLDBZIGSA-N 0 1 383.467 3.295 20 0 GGADMN Cn1cc([C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)c2ccc(F)cc2)cn1 ZINC000185421767 1431141824 /nfs/dbraw/zinc/14/18/24/1431141824.db2.gz FYINNGJXELJDNO-QUCCMNQESA-N 0 1 389.858 3.332 20 0 GGADMN Cc1ccc(OC[C@H](O)CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1 ZINC000185421481 1431142005 /nfs/dbraw/zinc/14/20/05/1431142005.db2.gz PDAMCYBFXMOIQI-IFMALSPDSA-N 0 1 383.467 3.295 20 0 GGADMN Cc1ccc(C[C@@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)s1 ZINC000185425012 1431142819 /nfs/dbraw/zinc/14/28/19/1431142819.db2.gz FLPSFTQWLSWUDR-CYBMUJFWSA-N 0 1 385.493 3.184 20 0 GGADMN Cn1cc([C@@H](NC[C@@H](O)COc2ccccc2Cl)c2ccc(F)cc2)cn1 ZINC000185427993 1431143326 /nfs/dbraw/zinc/14/33/26/1431143326.db2.gz ZACQCQKMHCBQAX-XLIONFOSSA-N 0 1 389.858 3.332 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185427138 1431143386 /nfs/dbraw/zinc/14/33/86/1431143386.db2.gz PLHWLAGKRUYJML-UGKGYDQZSA-N 0 1 399.466 3.077 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000185428963 1431143885 /nfs/dbraw/zinc/14/38/85/1431143885.db2.gz JACMFWDFWBWIKE-QAXTUJPFSA-N 0 1 389.561 3.161 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000185432924 1431144690 /nfs/dbraw/zinc/14/46/90/1431144690.db2.gz NBYPDVYOTSCBFI-AWEZNQCLSA-N 0 1 399.495 3.237 20 0 GGADMN COCCn1c(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)nc2ccccc21 ZINC000185433549 1431144715 /nfs/dbraw/zinc/14/47/15/1431144715.db2.gz DIONBWHLEUBIKD-UHFFFAOYSA-N 0 1 379.395 3.464 20 0 GGADMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185432255 1431144771 /nfs/dbraw/zinc/14/47/71/1431144771.db2.gz IRRQFLWRTNXDCC-UHFFFAOYSA-N 0 1 380.408 3.305 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185439185 1431145857 /nfs/dbraw/zinc/14/58/57/1431145857.db2.gz NYLJKDNFAVRSCA-SFTDATJTSA-N 0 1 383.467 3.295 20 0 GGADMN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cc(F)cc2nc[nH]c21 ZINC000185444858 1431146720 /nfs/dbraw/zinc/14/67/20/1431146720.db2.gz WKFFFIKRJLRPJN-UHFFFAOYSA-N 0 1 382.317 3.011 20 0 GGADMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000185444510 1431146956 /nfs/dbraw/zinc/14/69/56/1431146956.db2.gz JIFQFLNRDKHFPS-AWEZNQCLSA-N 0 1 381.388 3.371 20 0 GGADMN CCN(C)[C@@H](C(=O)NCCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000185446013 1431147563 /nfs/dbraw/zinc/14/75/63/1431147563.db2.gz INWVMBMWDWMTRW-GOSISDBHSA-N 0 1 395.425 3.374 20 0 GGADMN COc1cccc(COC[C@@H](O)CN2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000185449784 1431148566 /nfs/dbraw/zinc/14/85/66/1431148566.db2.gz CVHFMRFTQRCJQX-PXNSSMCTSA-N 0 1 390.549 3.013 20 0 GGADMN C[C@H](c1ccsc1)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000185463630 1431150872 /nfs/dbraw/zinc/15/08/72/1431150872.db2.gz PHSUURHSKMPGHG-VQIMIIECSA-N 0 1 378.513 3.144 20 0 GGADMN C[C@H](c1ccsc1)N1CCN(CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000185463501 1431150897 /nfs/dbraw/zinc/15/08/97/1431150897.db2.gz HXQLEERYAVSIKT-MRXNPFEDSA-N 0 1 386.521 3.165 20 0 GGADMN Cc1csc([C@@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C2CC2)n1 ZINC000185463932 1431150907 /nfs/dbraw/zinc/15/09/07/1431150907.db2.gz UUQNUYBIYPLNSK-KRWDZBQOSA-N 0 1 398.492 3.099 20 0 GGADMN CCC(CC)c1cc(CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)on1 ZINC000185465579 1431151443 /nfs/dbraw/zinc/15/14/43/1431151443.db2.gz RYKSNLXSJXZFBU-UHFFFAOYSA-N 0 1 398.467 3.275 20 0 GGADMN COc1ccc(COC[C@@H](O)CN2CCN([C@@H](C)c3ccsc3)CC2)cc1 ZINC000185471182 1431152594 /nfs/dbraw/zinc/15/25/94/1431152594.db2.gz FIWMDYKRPNBTIJ-PXNSSMCTSA-N 0 1 390.549 3.013 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H](Cc3ccc(Cl)cc3)C(N)=O)n2)cc1 ZINC000185493093 1431157489 /nfs/dbraw/zinc/15/74/89/1431157489.db2.gz FYHPBGQOCDHTPX-OAHLLOKOSA-N 0 1 388.880 3.322 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)[C@@H](C)c1ccccc1 ZINC000185499994 1431158728 /nfs/dbraw/zinc/15/87/28/1431158728.db2.gz AXUQILCRHYGELQ-CVEARBPZSA-N 0 1 379.464 3.375 20 0 GGADMN CCn1cc(C(=O)N(CCN(C)C)CC(C)C)c(=O)c2cc(Cl)ccc21 ZINC000185501481 1431158942 /nfs/dbraw/zinc/15/89/42/1431158942.db2.gz CBKBOGQHBVBQBL-UHFFFAOYSA-N 0 1 377.916 3.335 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000185501295 1431159067 /nfs/dbraw/zinc/15/90/67/1431159067.db2.gz CGNCZMJWQYKURN-ICSRJNTNSA-N 0 1 393.890 3.289 20 0 GGADMN O=C(N[C@H](C1CCCC1)C(F)(F)F)NC1CCN(Cc2ccncc2)CC1 ZINC000185507763 1431160751 /nfs/dbraw/zinc/16/07/51/1431160751.db2.gz HWWQWYWYUJEBBW-QGZVFWFLSA-N 0 1 384.446 3.466 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(-c2cncnc2)cc1F ZINC000185508762 1431160836 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3.246 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)NCc1ccccc1C ZINC000185619252 1431186190 /nfs/dbraw/zinc/18/61/90/1431186190.db2.gz DTXGCFHUYDKQIB-ZDUSSCGKSA-N 0 1 382.430 3.338 20 0 GGADMN COc1cccc(NC(=O)CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000185621001 1431186573 /nfs/dbraw/zinc/18/65/73/1431186573.db2.gz LZYXCJKLOJJRHJ-NSHDSACASA-N 0 1 384.402 3.360 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3c4ccccc4CCC[C@@H]3C)C2)CC1 ZINC000185623538 1431186952 /nfs/dbraw/zinc/18/69/52/1431186952.db2.gz BKOGTABGRWYBKO-CZTZKLFOSA-N 0 1 384.568 3.122 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCS(=O)(=O)c1ccccc1 ZINC000185628067 1431188306 /nfs/dbraw/zinc/18/83/06/1431188306.db2.gz JDBPWMOSQSJDKP-LBPRGKRZSA-N 0 1 389.443 3.187 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)N(C)Cc1ccccc1 ZINC000185631292 1431189127 /nfs/dbraw/zinc/18/91/27/1431189127.db2.gz PZRVPOLLMONLGR-ZDUSSCGKSA-N 0 1 382.430 3.371 20 0 GGADMN CC1(CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)OCCO1 ZINC000185632974 1431189893 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COC(=O)COc1ccc([C@H](C)NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000185675721 1431202650 /nfs/dbraw/zinc/20/26/50/1431202650.db2.gz ZTJRMVQISOHPIU-ROUUACIJSA-N 0 1 398.503 3.383 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000185675705 1431202956 /nfs/dbraw/zinc/20/29/56/1431202956.db2.gz ZTJRMVQISOHPIU-ZWKOTPCHSA-N 0 1 398.503 3.383 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000185681179 1431204265 /nfs/dbraw/zinc/20/42/65/1431204265.db2.gz CUDLJJVZLJTWIV-OLZOCXBDSA-N 0 1 392.402 3.194 20 0 GGADMN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000185685332 1431205509 /nfs/dbraw/zinc/20/55/09/1431205509.db2.gz UAKLUPUTWXTYCM-VIFPVBQESA-N 0 1 386.823 3.010 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000185685220 1431205645 /nfs/dbraw/zinc/20/56/45/1431205645.db2.gz FHAAFNGVJZTAPE-AWEZNQCLSA-N 0 1 390.867 3.490 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000185694641 1431208304 /nfs/dbraw/zinc/20/83/04/1431208304.db2.gz WYCCIJXDRWCZAV-ICSRJNTNSA-N 0 1 398.576 3.403 20 0 GGADMN CC1CCN(CC(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)CC1 ZINC000185704827 1431210937 /nfs/dbraw/zinc/21/09/37/1431210937.db2.gz WYXLJDSXCKEXGF-UHFFFAOYSA-N 0 1 381.524 3.266 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(F)cc1 ZINC000185725736 1431216636 /nfs/dbraw/zinc/21/66/36/1431216636.db2.gz XAFWNLIDOGYHMQ-HXUWFJFHSA-N 0 1 382.414 3.455 20 0 GGADMN Cc1ccc([C@@H](CNS(=O)(=O)Cc2noc3ccccc23)N2CCCC2)cc1 ZINC000185740581 1431220659 /nfs/dbraw/zinc/22/06/59/1431220659.db2.gz MRDPYFAXKLSYIR-HXUWFJFHSA-N 0 1 399.516 3.393 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NCC3(Cc4ccccc4)CCCCC3)CCO2)n[nH]1 ZINC000185747683 1431222928 /nfs/dbraw/zinc/22/29/28/1431222928.db2.gz YGKLYWQGFFZRMF-IBGZPJMESA-N 0 1 397.523 3.389 20 0 GGADMN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185757698 1431227021 /nfs/dbraw/zinc/22/70/21/1431227021.db2.gz SCHHABKSKFAIAR-GOSISDBHSA-N 0 1 379.439 3.318 20 0 GGADMN Cn1nc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1OC(F)F ZINC000185765028 1431228677 /nfs/dbraw/zinc/22/86/77/1431228677.db2.gz CUCNEJHWERYBMX-UHFFFAOYSA-N 0 1 384.346 3.212 20 0 GGADMN Cc1cc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c(C)c(C)c1O ZINC000185775497 1431232154 /nfs/dbraw/zinc/23/21/54/1431232154.db2.gz GGUJIHXDVOBVSD-UHFFFAOYSA-N 0 1 383.473 3.345 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)OC(C)C ZINC000185777158 1431232510 /nfs/dbraw/zinc/23/25/10/1431232510.db2.gz HNXYHGQBSOOYCP-YLJYHZDGSA-N 0 1 375.513 3.041 20 0 GGADMN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185777729 1431233349 /nfs/dbraw/zinc/23/33/49/1431233349.db2.gz IXVMEUZNGYLIPM-HNNXBMFYSA-N 0 1 377.231 3.242 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1 ZINC000185779818 1431233739 /nfs/dbraw/zinc/23/37/39/1431233739.db2.gz ANQNPPSRRWCMCD-CQSZACIVSA-N 0 1 380.851 3.294 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000185785486 1431235571 /nfs/dbraw/zinc/23/55/71/1431235571.db2.gz XWUGHZNWZPGJAA-LJQANCHMSA-N 0 1 380.423 3.197 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000185787367 1431235920 /nfs/dbraw/zinc/23/59/20/1431235920.db2.gz VJRQICGEZYRHQX-MRXNPFEDSA-N 0 1 394.878 3.353 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000185789296 1431236262 /nfs/dbraw/zinc/23/62/62/1431236262.db2.gz PKEZHABUKSXIPB-NRFANRHFSA-N 0 1 379.504 3.299 20 0 GGADMN CN(CCNC(=O)N1CC[C@]2(C1)OCc1ccccc12)Cc1ccc(F)cc1 ZINC000185793316 1431238101 /nfs/dbraw/zinc/23/81/01/1431238101.db2.gz VBFBFIZHRXWIKP-JOCHJYFZSA-N 0 1 383.467 3.099 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185806590 1431240967 /nfs/dbraw/zinc/24/09/67/1431240967.db2.gz KVLCQKDRQOKFNY-KRWDZBQOSA-N 0 1 378.407 3.346 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)c2)CC1 ZINC000185812781 1431242135 /nfs/dbraw/zinc/24/21/35/1431242135.db2.gz HVMCFNCERNARGZ-IBGZPJMESA-N 0 1 389.499 3.155 20 0 GGADMN CN(C)CCN(CC1CCCCC1)S(=O)(=O)Cc1noc2ccccc21 ZINC000185816981 1431242421 /nfs/dbraw/zinc/24/24/21/1431242421.db2.gz VSWXVTWVYSJCEZ-UHFFFAOYSA-N 0 1 379.526 3.102 20 0 GGADMN COCC1=CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000185823791 1431244614 /nfs/dbraw/zinc/24/46/14/1431244614.db2.gz GPLPHYCVRCIHDG-QGZVFWFLSA-N 0 1 385.430 3.296 20 0 GGADMN COc1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)ccc1OC(C)C ZINC000185826445 1431245197 /nfs/dbraw/zinc/24/51/97/1431245197.db2.gz COHFWNTUALQNBK-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN NC(=O)c1cnccc1N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000185834566 1431246632 /nfs/dbraw/zinc/24/66/32/1431246632.db2.gz LOEBKESAVWNGHR-UHFFFAOYSA-N 0 1 379.382 3.495 20 0 GGADMN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185843689 1431249715 /nfs/dbraw/zinc/24/97/15/1431249715.db2.gz HSHFJWPTDCVTOG-INIZCTEOSA-N 0 1 395.850 3.051 20 0 GGADMN COCC1=CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000185862765 1431255405 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GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000185879099 1431260811 /nfs/dbraw/zinc/26/08/11/1431260811.db2.gz MACISDSPYYYAHZ-FQEVSTJZSA-N 0 1 399.922 3.152 20 0 GGADMN CCN(CCc1ccccc1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185887480 1431263977 /nfs/dbraw/zinc/26/39/77/1431263977.db2.gz USMAUOHUGXNDCU-UHFFFAOYSA-N 0 1 379.464 3.158 20 0 GGADMN COCC1=CCN([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000185893080 1431266891 /nfs/dbraw/zinc/26/68/91/1431266891.db2.gz BKRJKBZHIPZIAI-QGZVFWFLSA-N 0 1 382.504 3.474 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N(Cc1ccccc1F)C1CC1 ZINC000185897526 1431269064 /nfs/dbraw/zinc/26/90/64/1431269064.db2.gz ITCJCOHCJLXYCM-UHFFFAOYSA-N 0 1 395.438 3.397 20 0 GGADMN CC(C)(NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1cccc(F)c1 ZINC000185901341 1431271340 /nfs/dbraw/zinc/27/13/40/1431271340.db2.gz GHSZDTWMGKZJQI-UHFFFAOYSA-N 0 1 383.427 3.257 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCCc2ccccc2C1 ZINC000185904699 1431272627 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GGADMN CCOC(=O)c1nn(C)cc1CN[C@H](C)COc1ccccc1C(F)(F)F ZINC000186320418 1431381229 /nfs/dbraw/zinc/38/12/29/1431381229.db2.gz ZYQUANRLWFSYDA-GFCCVEGCSA-N 0 1 385.386 3.173 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3cccnc3)c2C1 ZINC000186321394 1431381849 /nfs/dbraw/zinc/38/18/49/1431381849.db2.gz PZEROOMZKNACGM-MRXNPFEDSA-N 0 1 380.492 3.039 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)n[nH]1 ZINC000186321760 1431382053 /nfs/dbraw/zinc/38/20/53/1431382053.db2.gz IFHSKWBGPLKZFW-UHFFFAOYSA-N 0 1 387.827 3.240 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186328230 1431383859 /nfs/dbraw/zinc/38/38/59/1431383859.db2.gz IIZFKZUBYMGCRT-AWEZNQCLSA-N 0 1 385.830 3.273 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186330896 1431384641 /nfs/dbraw/zinc/38/46/41/1431384641.db2.gz YJYKTFBXLAYJKJ-QGZVFWFLSA-N 0 1 386.814 3.478 20 0 GGADMN CCN(C(=O)c1nc(-c2cnn(C)c2)oc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186333710 1431385560 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0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H]2COC3(CCCCCC3)O2)cc1 ZINC000186376396 1431395616 /nfs/dbraw/zinc/39/56/16/1431395616.db2.gz GRZTZQOPYLZOQG-QZTJIDSGSA-N 0 1 381.538 3.213 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000186376180 1431395753 /nfs/dbraw/zinc/39/57/53/1431395753.db2.gz PGXSQDFZQMEGCY-SFANZJOMSA-N 0 1 381.538 3.069 20 0 GGADMN COC(=O)N1CCC([C@H](C)NCc2nc(-c3ccc(C)c(OC)c3)no2)CC1 ZINC000186382101 1431396936 /nfs/dbraw/zinc/39/69/36/1431396936.db2.gz DLDOACBHYPMERZ-AWEZNQCLSA-N 0 1 388.468 3.010 20 0 GGADMN Cc1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000186385789 1431397682 /nfs/dbraw/zinc/39/76/82/1431397682.db2.gz QOPSZIKCLHDESM-UHFFFAOYSA-N 0 1 399.226 3.194 20 0 GGADMN COC(=O)N1CCC([C@H](C)NCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000186392006 1431399065 /nfs/dbraw/zinc/39/90/65/1431399065.db2.gz WJSXUBZYPQBKLR-LBPRGKRZSA-N 0 1 378.860 3.347 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNCCc1nc(C2CCCCC2)cs1 ZINC000186399068 1431401648 /nfs/dbraw/zinc/40/16/48/1431401648.db2.gz RYILJUXMCJJTHR-UHFFFAOYSA-N 0 1 376.526 3.433 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NCc2nnc(-c3ccccc3OC)o2)CC1 ZINC000186411051 1431407668 /nfs/dbraw/zinc/40/76/68/1431407668.db2.gz NOLSQBLNQIZVAD-AWEZNQCLSA-N 0 1 388.468 3.092 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000186412973 1431408513 /nfs/dbraw/zinc/40/85/13/1431408513.db2.gz HDBMJLMGYAPXGN-UHFFFAOYSA-N 0 1 392.385 3.038 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc(N3CCOC3=O)cc2)CCN1Cc1ccccc1 ZINC000186414081 1431408750 /nfs/dbraw/zinc/40/87/50/1431408750.db2.gz NIRBJSOZOLYZLQ-FQEVSTJZSA-N 0 1 393.487 3.380 20 0 GGADMN CCOC(=O)N1CCC([C@@H](C)NCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000186418164 1431411087 /nfs/dbraw/zinc/41/10/87/1431411087.db2.gz ZERNCRXWEUEROU-CQSZACIVSA-N 0 1 388.468 3.092 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000186421246 1431413189 /nfs/dbraw/zinc/41/31/89/1431413189.db2.gz FCSJOOBFLUUDOL-OAHLLOKOSA-N 0 1 378.469 3.328 20 0 GGADMN CCOc1cc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc(Cl)c1[O-] ZINC000186423132 1431413591 /nfs/dbraw/zinc/41/35/91/1431413591.db2.gz MYJIVGDAQDXOKZ-KRWDZBQOSA-N 0 1 392.883 3.486 20 0 GGADMN C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000186427865 1431415444 /nfs/dbraw/zinc/41/54/44/1431415444.db2.gz BXQCFQHTQPTDTM-HNNXBMFYSA-N 0 1 393.447 3.191 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NCc2nc(Cc3ccccc3C)no2)CC1 ZINC000186435431 1431418494 /nfs/dbraw/zinc/41/84/94/1431418494.db2.gz ORZNJQQKFBNAIM-INIZCTEOSA-N 0 1 386.496 3.315 20 0 GGADMN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000186435301 1431418686 /nfs/dbraw/zinc/41/86/86/1431418686.db2.gz SCBGHKREBDDMBA-HNNXBMFYSA-N 0 1 380.448 3.223 20 0 GGADMN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000186435317 1431418795 /nfs/dbraw/zinc/41/87/95/1431418795.db2.gz SCBGHKREBDDMBA-OAHLLOKOSA-N 0 1 380.448 3.223 20 0 GGADMN COCc1cc([C@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)ccc1OC ZINC000186439751 1431420570 /nfs/dbraw/zinc/42/05/70/1431420570.db2.gz DKUMNCPHDBLQET-HNNXBMFYSA-N 0 1 382.464 3.390 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2Cc2ccccc2)C12CCOCC2 ZINC000186456395 1431424208 /nfs/dbraw/zinc/42/42/08/1431424208.db2.gz FGUIYXJTMHEIQZ-PCCBWWKXSA-N 0 1 386.536 3.132 20 0 GGADMN Cn1c(CN2CCC[C@@H](C3(C)OCCO3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186468747 1431427887 /nfs/dbraw/zinc/42/78/87/1431427887.db2.gz SWDXDFZASAMONV-OAHLLOKOSA-N 0 1 376.888 3.111 20 0 GGADMN CC1([C@@H]2CCCN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)OCCO1 ZINC000186468694 1431428101 /nfs/dbraw/zinc/42/81/01/1431428101.db2.gz LYRXMHQWIQXXMY-RHSMWYFYSA-N 0 1 398.425 3.286 20 0 GGADMN CC(C)c1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)n(-c2ncccn2)n1 ZINC000186484391 1431432665 /nfs/dbraw/zinc/43/26/65/1431432665.db2.gz BGEKGNCPVHLOFC-OAHLLOKOSA-N 0 1 399.524 3.272 20 0 GGADMN CC(C)c1cc(NC(=O)NC[C@@H](c2cccs2)N(C)C)n(-c2ncccn2)n1 ZINC000186484376 1431432914 /nfs/dbraw/zinc/43/29/14/1431432914.db2.gz BGEKGNCPVHLOFC-HNNXBMFYSA-N 0 1 399.524 3.272 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccnn2-c2cc(C)ccn2)N(C)C)c1 ZINC000186491912 1431434643 /nfs/dbraw/zinc/43/46/43/1431434643.db2.gz SWWSLHUMKBBJRA-SFHVURJKSA-N 0 1 394.479 3.009 20 0 GGADMN N#Cc1cccc(NC(=O)CCN2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000186492475 1431435491 /nfs/dbraw/zinc/43/54/91/1431435491.db2.gz UIOJNYVAAMHSBI-UHFFFAOYSA-N 0 1 385.414 3.149 20 0 GGADMN COc1ccc(NC(=O)CCN2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000186494251 1431436232 /nfs/dbraw/zinc/43/62/32/1431436232.db2.gz KJIQKDDAMNHIME-UHFFFAOYSA-N 0 1 390.430 3.286 20 0 GGADMN COC(=O)c1ccccc1CCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000186498179 1431437259 /nfs/dbraw/zinc/43/72/59/1431437259.db2.gz MTERDWMVMJLHJU-UHFFFAOYSA-N 0 1 384.451 3.003 20 0 GGADMN Cn1cc([C@@H](NS(=O)(=O)c2c(F)cc(F)cc2F)c2ccc(F)cc2)cn1 ZINC000186504478 1431439796 /nfs/dbraw/zinc/43/97/96/1431439796.db2.gz LZTZSEUXDXHDPR-INIZCTEOSA-N 0 1 399.369 3.044 20 0 GGADMN COc1ccc([C@H](O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000186507397 1431441067 /nfs/dbraw/zinc/44/10/67/1431441067.db2.gz VAQCJSAIUIGUFM-CYBMUJFWSA-N 0 1 377.853 3.264 20 0 GGADMN O=C(NC[C@H](O)COc1ccc(F)cc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000186511205 1431442502 /nfs/dbraw/zinc/44/25/02/1431442502.db2.gz UNMSXAQYDHJCPI-NSHDSACASA-N 0 1 395.843 3.100 20 0 GGADMN COc1cccc([C@@H](O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000186515816 1431443691 /nfs/dbraw/zinc/44/36/91/1431443691.db2.gz GLPUIPBPGIELSQ-ZDUSSCGKSA-N 0 1 377.853 3.264 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)N2CCCC2)o1 ZINC000186523108 1431445755 /nfs/dbraw/zinc/44/57/55/1431445755.db2.gz TUVMWTLGZXAFGP-DENIHFKCSA-N 0 1 385.508 3.322 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNC(C)(C)c2nc3ccccc3n2C)c1 ZINC000186556987 1431453223 /nfs/dbraw/zinc/45/32/23/1431453223.db2.gz GOLTYTJJKZBYSQ-QGZVFWFLSA-N 0 1 381.476 3.041 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C1(Cc2cccc(F)c2)CCC1 ZINC000186585131 1431460837 /nfs/dbraw/zinc/46/08/37/1431460837.db2.gz XZKILFDCRCFLMQ-YADHBBJMSA-N 0 1 396.506 3.290 20 0 GGADMN COc1cc(OC)c(OC)cc1CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186587034 1431461475 /nfs/dbraw/zinc/46/14/75/1431461475.db2.gz NRFCEENRNWONGQ-UHFFFAOYSA-N 0 1 389.467 3.421 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000186586447 1431461636 /nfs/dbraw/zinc/46/16/36/1431461636.db2.gz FXCSSLWKCOKXOG-BEFAXECRSA-N 0 1 392.569 3.126 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCc2csc(-c3ccc4c(c3)OCO4)n2)C1(C)C ZINC000186593100 1431463009 /nfs/dbraw/zinc/46/30/09/1431463009.db2.gz LQUJNIVBXQLRHN-PXNSSMCTSA-N 0 1 390.505 3.195 20 0 GGADMN COc1ccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c(OC)c1OC ZINC000186594014 1431463311 /nfs/dbraw/zinc/46/33/11/1431463311.db2.gz BZDRCOPPAYNFFC-UHFFFAOYSA-N 0 1 389.467 3.421 20 0 GGADMN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000186605031 1431466849 /nfs/dbraw/zinc/46/68/49/1431466849.db2.gz QGFFOZXKAABRDP-HNNXBMFYSA-N 0 1 376.522 3.015 20 0 GGADMN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000186605051 1431467057 /nfs/dbraw/zinc/46/70/57/1431467057.db2.gz QGFFOZXKAABRDP-OAHLLOKOSA-N 0 1 376.522 3.015 20 0 GGADMN Cc1cc(C)c2c(c1)CN(C(=O)NC1CCN(Cc3ccncc3)CC1)CC2 ZINC000186615779 1431469662 /nfs/dbraw/zinc/46/96/62/1431469662.db2.gz GSYUNAGDEQLFSK-UHFFFAOYSA-N 0 1 378.520 3.431 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccco1 ZINC000186619497 1431471288 /nfs/dbraw/zinc/47/12/88/1431471288.db2.gz LWABSONCSSWEQS-BZSNNMDCSA-N 0 1 391.537 3.142 20 0 GGADMN O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000186621365 1431472028 /nfs/dbraw/zinc/47/20/28/1431472028.db2.gz VVXPADCKVAJALU-HNNXBMFYSA-N 0 1 392.438 3.298 20 0 GGADMN CCn1cc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)c2ccccc21 ZINC000186631843 1431474375 /nfs/dbraw/zinc/47/43/75/1431474375.db2.gz DOJUCGNZRVSDLL-UHFFFAOYSA-N 0 1 375.432 3.288 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000186633119 1431475407 /nfs/dbraw/zinc/47/54/07/1431475407.db2.gz GRUXQQFHVRQSQG-KRWDZBQOSA-N 0 1 390.524 3.283 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC000186634837 1431475961 /nfs/dbraw/zinc/47/59/61/1431475961.db2.gz ZGTTXAXUGGYUSP-MRXNPFEDSA-N 0 1 398.503 3.349 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000186637905 1431476690 /nfs/dbraw/zinc/47/66/90/1431476690.db2.gz ALSDJVJKLHAHJD-UHFFFAOYSA-N 0 1 387.505 3.130 20 0 GGADMN Cc1ccc2c(CC(=O)NCc3n[nH]c(COc4ccccc4)n3)c[nH]c2c1 ZINC000186637359 1431476709 /nfs/dbraw/zinc/47/67/09/1431476709.db2.gz PXVHUBBVYIYOFS-UHFFFAOYSA-N 0 1 375.432 3.032 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000186641097 1431477764 /nfs/dbraw/zinc/47/77/64/1431477764.db2.gz APPXGDWQPRKPOT-UHFFFAOYSA-N 0 1 388.508 3.409 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 ZINC000186640036 1431477798 /nfs/dbraw/zinc/47/77/98/1431477798.db2.gz SNPJLZFNROJPDG-KRWDZBQOSA-N 0 1 390.524 3.283 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc(-c2cncnc2)cc1F ZINC000186644029 1431478790 /nfs/dbraw/zinc/47/87/90/1431478790.db2.gz FGTKSOWYZPDOHU-UHFFFAOYSA-N 0 1 391.406 3.455 20 0 GGADMN Cc1[nH]c2ccc(C(=O)NCc3n[nH]c(COc4ccccc4)n3)cc2c1C ZINC000186644917 1431479028 /nfs/dbraw/zinc/47/90/28/1431479028.db2.gz RMEJWIDQZBQCBH-UHFFFAOYSA-N 0 1 375.432 3.412 20 0 GGADMN COc1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)c2ccccc12 ZINC000186646480 1431479252 /nfs/dbraw/zinc/47/92/52/1431479252.db2.gz YBIFRTMWHJIHJL-UHFFFAOYSA-N 0 1 388.427 3.476 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000186645761 1431479515 /nfs/dbraw/zinc/47/95/15/1431479515.db2.gz RXJCQPPURRXUBN-LSDHHAIUSA-N 0 1 384.386 3.082 20 0 GGADMN Cc1nc(C(F)(F)F)ccc1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186648030 1431480444 /nfs/dbraw/zinc/48/04/44/1431480444.db2.gz FNRWKXDHLMRCCH-UHFFFAOYSA-N 0 1 391.353 3.036 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000186652794 1431481252 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/nfs/dbraw/zinc/53/72/12/1431537212.db2.gz UZNOWNBYIYBCDA-UHFFFAOYSA-N 0 1 380.444 3.060 20 0 GGADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N(C)C2CCCCC2)[nH]c1-c1ccccc1 ZINC000186845716 1431537636 /nfs/dbraw/zinc/53/76/36/1431537636.db2.gz ZHUOPQQNKBCFGJ-HNNXBMFYSA-N 0 1 389.521 3.338 20 0 GGADMN CC(C)[C@H](NC(=O)CN1CCSC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000186846495 1431538043 /nfs/dbraw/zinc/53/80/43/1431538043.db2.gz LHPHGNZVISLLAK-IBGZPJMESA-N 0 1 380.529 3.237 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C)[nH]c1-c1ccccc1 ZINC000186847678 1431538218 /nfs/dbraw/zinc/53/82/18/1431538218.db2.gz LCMQHLOVDAIQKP-OAHLLOKOSA-N 0 1 383.473 3.494 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2cccc(F)c2)[nH]c1-c1ccccc1 ZINC000186853102 1431541122 /nfs/dbraw/zinc/54/11/22/1431541122.db2.gz PUUGWSGMFBCBJP-CYBMUJFWSA-N 0 1 387.436 3.325 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)[nH]c1-c1ccccc1 ZINC000186854039 1431541512 /nfs/dbraw/zinc/54/15/12/1431541512.db2.gz BHJDAKPHRPYXQA-AWEZNQCLSA-N 0 1 383.473 3.036 20 0 GGADMN Cc1nc(S(=O)(=O)Cc2noc(-c3ccsc3)n2)[nH]c1-c1ccccc1 ZINC000186857016 1431542250 /nfs/dbraw/zinc/54/22/50/1431542250.db2.gz ZJEZQBXCVJFMIW-UHFFFAOYSA-N 0 1 386.458 3.471 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)N(C)Cc2ccccc2)[nH]c1-c1ccccc1 ZINC000186856068 1431542322 /nfs/dbraw/zinc/54/23/22/1431542322.db2.gz XNZAEFJLTRIPMI-MRXNPFEDSA-N 0 1 397.500 3.206 20 0 GGADMN C[C@@H]1[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)CCCN1C(=O)OC(C)(C)C ZINC000186862412 1431544631 /nfs/dbraw/zinc/54/46/31/1431544631.db2.gz ZDFBSVCQYKVPDP-CZUORRHYSA-N 0 1 385.464 3.046 20 0 GGADMN Cc1cccc(COc2ccc(CNC(=O)NCCN3CCCOCC3)cc2)c1 ZINC000186879036 1431551499 /nfs/dbraw/zinc/55/14/99/1431551499.db2.gz BKTMUCBHDRAVAQ-UHFFFAOYSA-N 0 1 397.519 3.096 20 0 GGADMN CN1C(=O)CCc2cc(CN3CCCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC000186879590 1431552025 /nfs/dbraw/zinc/55/20/25/1431552025.db2.gz ORSZQOUCANERAL-UHFFFAOYSA-N 0 1 395.478 3.083 20 0 GGADMN CCOc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc(Cl)c1[O-] ZINC000186879656 1431552108 /nfs/dbraw/zinc/55/21/08/1431552108.db2.gz XEUGTWKCNLFQMX-UHFFFAOYSA-N 0 1 392.883 3.354 20 0 GGADMN CCCc1cccc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c1 ZINC000186881097 1431553193 /nfs/dbraw/zinc/55/31/93/1431553193.db2.gz DDBWHSFUEHPPEP-IBGZPJMESA-N 0 1 377.448 3.246 20 0 GGADMN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1CC[C@@H](N2CC=CC2)C1 ZINC000186882504 1431553454 /nfs/dbraw/zinc/55/34/54/1431553454.db2.gz XIEYQMJZDVXIEO-LLVKDONJSA-N 0 1 393.875 3.476 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCSc1nc2ccccc2s1 ZINC000186903565 1431560626 /nfs/dbraw/zinc/56/06/26/1431560626.db2.gz QXYNQVCRMGZISE-AWEZNQCLSA-N 0 1 393.578 3.082 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000186910793 1431562294 /nfs/dbraw/zinc/56/22/94/1431562294.db2.gz SAVFKYVVZAJIPN-ZDUSSCGKSA-N 0 1 397.441 3.114 20 0 GGADMN CN1C(=O)CCc2cc(CN3CCCN(C(=O)c4ccsc4)CC3)ccc21 ZINC000186911467 1431563408 /nfs/dbraw/zinc/56/34/08/1431563408.db2.gz BTDUGTPNOZPYAQ-UHFFFAOYSA-N 0 1 383.517 3.005 20 0 GGADMN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)C1 ZINC000186914077 1431563864 /nfs/dbraw/zinc/56/38/64/1431563864.db2.gz ITGBOIJDGKFJNB-HSALFYBXSA-N 0 1 382.589 3.446 20 0 GGADMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000186922838 1431566319 /nfs/dbraw/zinc/56/63/19/1431566319.db2.gz RUMVZDZQYYRDRN-UHFFFAOYSA-N 0 1 375.837 3.139 20 0 GGADMN C[C@H](C(=O)NC1CCC(C)CC1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186922305 1431566660 /nfs/dbraw/zinc/56/66/60/1431566660.db2.gz YBALGUSBAXZIOS-OHTSDLOESA-N 0 1 376.516 3.279 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186925324 1431567404 /nfs/dbraw/zinc/56/74/04/1431567404.db2.gz YNYYMWUOLRBFOL-KZNAEPCWSA-N 0 1 376.516 3.088 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186925284 1431567624 /nfs/dbraw/zinc/56/76/24/1431567624.db2.gz YNYYMWUOLRBFOL-FGTMMUONSA-N 0 1 376.516 3.088 20 0 GGADMN COc1cccc([C@@H](C)N2CCN(Cc3ccc4c(c3)CCC(=O)N4C)CC2)c1 ZINC000186934530 1431570398 /nfs/dbraw/zinc/57/03/98/1431570398.db2.gz DLNBVWQBVVLWCU-GOSISDBHSA-N 0 1 393.531 3.483 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(CN2CCC(N3CCCC3=O)CC2)o1 ZINC000186935534 1431570887 /nfs/dbraw/zinc/57/08/87/1431570887.db2.gz MPLZFNIYYRAHEB-UHFFFAOYSA-N 0 1 382.460 3.320 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(OCc2cccs2)c1 ZINC000186950131 1431574418 /nfs/dbraw/zinc/57/44/18/1431574418.db2.gz YFIRSACQEIEYIZ-MRXNPFEDSA-N 0 1 388.533 3.244 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2ccsc2Cl)CCN1Cc1ccccc1 ZINC000186951303 1431574977 /nfs/dbraw/zinc/57/49/77/1431574977.db2.gz OQQMSSLKZATGGT-CQSZACIVSA-N 0 1 391.924 3.463 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000186954632 1431576028 /nfs/dbraw/zinc/57/60/28/1431576028.db2.gz QENRTOVLYQGAJZ-INIZCTEOSA-N 0 1 384.476 3.102 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000186957410 1431576459 /nfs/dbraw/zinc/57/64/59/1431576459.db2.gz IHWTVCBPSRRPHA-OAHLLOKOSA-N 0 1 387.911 3.319 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000186961061 1431577526 /nfs/dbraw/zinc/57/75/26/1431577526.db2.gz AHLBUMQPDALCNO-MRXNPFEDSA-N 0 1 393.487 3.412 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000186968715 1431579261 /nfs/dbraw/zinc/57/92/61/1431579261.db2.gz OWYRWTONYZAGHH-UHFFFAOYSA-N 0 1 390.480 3.490 20 0 GGADMN CN(CCNC(=O)NCc1cc(COC(C)(C)C)on1)Cc1ccc(F)cc1 ZINC000186972103 1431580108 /nfs/dbraw/zinc/58/01/08/1431580108.db2.gz JKDQETOTLRYZHZ-UHFFFAOYSA-N 0 1 392.475 3.060 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCCCc1nc2ccccc2s1 ZINC000186978849 1431581334 /nfs/dbraw/zinc/58/13/34/1431581334.db2.gz ZBMOHJXMAJQLFO-MRXNPFEDSA-N 0 1 389.565 3.313 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186986915 1431583543 /nfs/dbraw/zinc/58/35/43/1431583543.db2.gz HJGSFBIILXTFNH-HNNXBMFYSA-N 0 1 386.458 3.332 20 0 GGADMN CCCc1cccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000186986322 1431583613 /nfs/dbraw/zinc/58/36/13/1431583613.db2.gz VNCBLWWUZGQGKW-UHFFFAOYSA-N 0 1 392.487 3.427 20 0 GGADMN CCN(CC)[C@H](C(=O)NCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000186989767 1431584356 /nfs/dbraw/zinc/58/43/56/1431584356.db2.gz CXLCJDBKGRRRQB-SFHVURJKSA-N 0 1 385.474 3.460 20 0 GGADMN CN(Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000187004150 1431587098 /nfs/dbraw/zinc/58/70/98/1431587098.db2.gz XBHBPRAZGGXTSH-NRFANRHFSA-N 0 1 377.488 3.223 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000187004668 1431587225 /nfs/dbraw/zinc/58/72/25/1431587225.db2.gz RFPPEIYTSGJJIH-UHFFFAOYSA-N 0 1 390.490 3.325 20 0 GGADMN COc1ccc(OC)c(CN(CCO)C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000187018458 1431591450 /nfs/dbraw/zinc/59/14/50/1431591450.db2.gz ZBORFSDDABQTEP-SFHVURJKSA-N 0 1 383.847 3.024 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCN1CCCOCC1 ZINC000187030589 1431595380 /nfs/dbraw/zinc/59/53/80/1431595380.db2.gz GLMSNSFRHAPPNF-INIZCTEOSA-N 0 1 388.537 3.201 20 0 GGADMN Cc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000187044077 1431598747 /nfs/dbraw/zinc/59/87/47/1431598747.db2.gz IJYNRXUDRWNTHF-UHFFFAOYSA-N 0 1 388.493 3.022 20 0 GGADMN CCO[C@H]1C[C@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1(CC)CC ZINC000187049661 1431600147 /nfs/dbraw/zinc/60/01/47/1431600147.db2.gz NCXSCQDVQQVGJT-ROUUACIJSA-N 0 1 389.496 3.014 20 0 GGADMN CCO[C@H]1C[C@H](NCc2nnc3n2c2ccccc2c(=O)n3CC)C1(CC)CC ZINC000187052923 1431600240 /nfs/dbraw/zinc/60/02/40/1431600240.db2.gz RGHVOORPYUOENY-ROUUACIJSA-N 0 1 397.523 3.138 20 0 GGADMN CN(C(=O)C(=O)Nc1ccsc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000187066315 1431603692 /nfs/dbraw/zinc/60/36/92/1431603692.db2.gz CYJRMUKDCMOOPR-HNNXBMFYSA-N 0 1 391.924 3.463 20 0 GGADMN COc1cc(C)c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1F ZINC000187066310 1431604174 /nfs/dbraw/zinc/60/41/74/1431604174.db2.gz GIQMFNAEWBYAGU-UHFFFAOYSA-N 0 1 394.346 3.280 20 0 GGADMN COCC[S@@](=O)Cc1cccc(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000187077388 1431607444 /nfs/dbraw/zinc/60/74/44/1431607444.db2.gz NPRKWGDHLFBQEY-AREMUKBSSA-N 0 1 389.502 3.286 20 0 GGADMN Cc1coc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)cc12 ZINC000187078550 1431607570 /nfs/dbraw/zinc/60/75/70/1431607570.db2.gz RWMMPTLDMBXVAT-UHFFFAOYSA-N 0 1 394.836 3.060 20 0 GGADMN O=C(N[C@@H](CCO)c1ccco1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000187098069 1431614383 /nfs/dbraw/zinc/61/43/83/1431614383.db2.gz XWXKFVRCCWYQRB-SFHVURJKSA-N 0 1 391.899 3.320 20 0 GGADMN Cc1oc2ccc(NC(=O)C(=O)NC[C@H](c3cccs3)N(C)C)cc2c1C ZINC000187115891 1431620278 /nfs/dbraw/zinc/62/02/78/1431620278.db2.gz ZTVDAKOCFZTRQF-MRXNPFEDSA-N 0 1 385.489 3.469 20 0 GGADMN Cc1nc(SCC(=O)NC2CCC3(CC2)OCCO3)[nH]c1-c1ccccc1 ZINC000187118364 1431621012 /nfs/dbraw/zinc/62/10/12/1431621012.db2.gz JUIQAWRMWXGQET-UHFFFAOYSA-N 0 1 387.505 3.279 20 0 GGADMN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCC(CN2CCOCC2)CC1 ZINC000187119751 1431621471 /nfs/dbraw/zinc/62/14/71/1431621471.db2.gz MMWDRAMQCDPKDX-FGZHOGPDSA-N 0 1 385.552 3.152 20 0 GGADMN CN1c2ccc(CN[C@H](CN3CCCC3=O)c3ccccc3)cc2CCC1=O ZINC000187128130 1431624355 /nfs/dbraw/zinc/62/43/55/1431624355.db2.gz FCPBHSSFXRDKGW-HXUWFJFHSA-N 0 1 377.488 3.049 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCCC3=O)n[nH]2)c(C)c1 ZINC000187127964 1431624434 /nfs/dbraw/zinc/62/44/34/1431624434.db2.gz HVOHJRQZZMHMJH-FXAWDEMLSA-N 0 1 381.476 3.294 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(CNCc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187128356 1431624632 /nfs/dbraw/zinc/62/46/32/1431624632.db2.gz XPBFKHJHNNLWDA-MRXNPFEDSA-N 0 1 379.504 3.414 20 0 GGADMN COc1cc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)ccc1F ZINC000187128454 1431624701 /nfs/dbraw/zinc/62/47/01/1431624701.db2.gz PVWQILHKETVCET-UHFFFAOYSA-N 0 1 386.471 3.168 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000187135925 1431627529 /nfs/dbraw/zinc/62/75/29/1431627529.db2.gz BTNSSZUWHYJAPW-KRWDZBQOSA-N 0 1 385.533 3.383 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1c(C)cccc1SC)c1ccco1 ZINC000187136137 1431627776 /nfs/dbraw/zinc/62/77/76/1431627776.db2.gz FFKNXFPBECHJQT-OAHLLOKOSA-N 0 1 389.521 3.448 20 0 GGADMN Cc1c([C@H](C)NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cnn1C ZINC000187140111 1431628451 /nfs/dbraw/zinc/62/84/51/1431628451.db2.gz SMZYVSXMMGDNNO-SJCJKPOMSA-N 0 1 397.445 3.410 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc3occ(C)c3c2)N(C)C)c1 ZINC000187142322 1431628596 /nfs/dbraw/zinc/62/85/96/1431628596.db2.gz WMNDFBMPOONDHH-LJQANCHMSA-N 0 1 395.459 3.107 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nc(C2CC2)no1 ZINC000187143610 1431629179 /nfs/dbraw/zinc/62/91/79/1431629179.db2.gz AGMIOFGKWPOXNR-INIZCTEOSA-N 0 1 399.476 3.080 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000187144192 1431629192 /nfs/dbraw/zinc/62/91/92/1431629192.db2.gz MMEKJASMGILXEK-UHFFFAOYSA-N 0 1 387.443 3.413 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(C)c(-c3ccccc3)[nH]2)CC1 ZINC000187155162 1431632898 /nfs/dbraw/zinc/63/28/98/1431632898.db2.gz YSBZRDCAHASFHY-AWEZNQCLSA-N 0 1 387.505 3.277 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)n[nH]2)cc1C ZINC000187156027 1431633184 /nfs/dbraw/zinc/63/31/84/1431633184.db2.gz JCEIBDOFDSPLAV-UHFFFAOYSA-N 0 1 391.475 3.106 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000187156382 1431633224 /nfs/dbraw/zinc/63/32/24/1431633224.db2.gz UHSMDHLFSSGLKV-INIZCTEOSA-N 0 1 396.491 3.206 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000187156400 1431633453 /nfs/dbraw/zinc/63/34/53/1431633453.db2.gz UHSMDHLFSSGLKV-MRXNPFEDSA-N 0 1 396.491 3.206 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000187158192 1431633866 /nfs/dbraw/zinc/63/38/66/1431633866.db2.gz PYRIZFYDKVACFB-KBPBESRZSA-N 0 1 387.446 3.253 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccccn1)c1ccccc1 ZINC000187159135 1431634054 /nfs/dbraw/zinc/63/40/54/1431634054.db2.gz CCIBFIWCRYLIRD-UNMCSNQZSA-N 0 1 383.492 3.059 20 0 GGADMN CCN(CC)[C@@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccccn1)c1ccccc1 ZINC000187159149 1431634397 /nfs/dbraw/zinc/63/43/97/1431634397.db2.gz CCIBFIWCRYLIRD-IRLDBZIGSA-N 0 1 383.492 3.059 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(OC2COC2)cc1 ZINC000187162290 1431634879 /nfs/dbraw/zinc/63/48/79/1431634879.db2.gz XMDBOSUUERMGQQ-LJQANCHMSA-N 0 1 385.464 3.406 20 0 GGADMN CN1C(=O)CCc2cc(CNCc3cccc(NC(=O)[C@H]4CCCO4)c3)ccc21 ZINC000187161996 1431635087 /nfs/dbraw/zinc/63/50/87/1431635087.db2.gz IMIXFRIVWDPXFD-OAQYLSRUSA-N 0 1 393.487 3.003 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[C@](C)(O)c1ccccc1 ZINC000187167210 1431635910 /nfs/dbraw/zinc/63/59/10/1431635910.db2.gz CYKVZWIBFJIGCK-QHCPKHFHSA-N 0 1 396.535 3.166 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)c1cccs1 ZINC000187187654 1431640807 /nfs/dbraw/zinc/64/08/07/1431640807.db2.gz RPJONQVEPJVRAA-HNNXBMFYSA-N 0 1 393.509 3.399 20 0 GGADMN CN1C(=O)CCc2cc(CNC[C@](O)(c3ccccc3)C(F)(F)F)ccc21 ZINC000187195065 1431643508 /nfs/dbraw/zinc/64/35/08/1431643508.db2.gz QEDYKWICOAXURB-IBGZPJMESA-N 0 1 378.394 3.135 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc(NC(C)=O)cc1 ZINC000187201589 1431645807 /nfs/dbraw/zinc/64/58/07/1431645807.db2.gz CRQNQMAFSFRBIW-UHFFFAOYSA-N 0 1 394.924 3.424 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nnc(SCc3ccccc3)s2)C1(C)C ZINC000187205047 1431646708 /nfs/dbraw/zinc/64/67/08/1431646708.db2.gz KOQDORPXYXBLFC-UGSOOPFHSA-N 0 1 392.550 3.301 20 0 GGADMN C[C@H](CNC(=O)NCc1ccc(C(C)(C)O)cc1)N1CCc2ccccc2C1 ZINC000187213168 1431650423 /nfs/dbraw/zinc/65/04/23/1431650423.db2.gz ZWJNGZBSRIXCEQ-QGZVFWFLSA-N 0 1 381.520 3.160 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000187227847 1431656318 /nfs/dbraw/zinc/65/63/18/1431656318.db2.gz ARJBFJKRCODRBV-AEFFLSMTSA-N 0 1 397.544 3.435 20 0 GGADMN N#CC(C(=O)Nc1ccccn1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000187231253 1431657829 /nfs/dbraw/zinc/65/78/29/1431657829.db2.gz RTIWAMBFYIMYOA-ZDUSSCGKSA-N 0 1 380.404 3.229 20 0 GGADMN 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3.021 20 0 GGADMN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000187401579 1431719880 /nfs/dbraw/zinc/71/98/80/1431719880.db2.gz XQJUZPGCERBCKB-UHFFFAOYSA-N 0 1 383.477 3.119 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1 ZINC000187405974 1431720984 /nfs/dbraw/zinc/72/09/84/1431720984.db2.gz XNQUNTMQYZLDQY-LPHOPBHVSA-N 0 1 375.513 3.053 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccccc1OC(F)F ZINC000187408392 1431721810 /nfs/dbraw/zinc/72/18/10/1431721810.db2.gz UIIZIYLMUASYSB-GOEBONIOSA-N 0 1 399.482 3.226 20 0 GGADMN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000187423764 1431725519 /nfs/dbraw/zinc/72/55/19/1431725519.db2.gz WDCJJARFYWZZNZ-JTQLQIEISA-N 0 1 377.326 3.292 20 0 GGADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187429847 1431727540 /nfs/dbraw/zinc/72/75/40/1431727540.db2.gz QCMKGRLPHYNAHB-UHFFFAOYSA-N 0 1 388.537 3.029 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2cn(-c3ccccc3)nc2C)cc1 ZINC000187433572 1431728663 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20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C(C)(C)O)c1cccc(C(F)(F)F)c1 ZINC000187453760 1431735435 /nfs/dbraw/zinc/73/54/35/1431735435.db2.gz DRKPPYUBTAPPJK-HOTGVXAUSA-N 0 1 387.446 3.253 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)nc3)[nH]n2)cc1C ZINC000187460097 1431737433 /nfs/dbraw/zinc/73/74/33/1431737433.db2.gz QDUZWGSBLDOQSK-UHFFFAOYSA-N 0 1 377.448 3.177 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C1(C)C ZINC000187460558 1431737677 /nfs/dbraw/zinc/73/76/77/1431737677.db2.gz WUUJDNHNUGXQRM-XMSQKQJNSA-N 0 1 387.524 3.174 20 0 GGADMN CC[C@@H](CCO)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187461253 1431737686 /nfs/dbraw/zinc/73/76/86/1431737686.db2.gz UKIIFDWYYVUOPO-XJKSGUPXSA-N 0 1 375.435 3.016 20 0 GGADMN CCOC[C@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000187460835 1431737812 /nfs/dbraw/zinc/73/78/12/1431737812.db2.gz RMIKNKWXKLNHOW-WMLDXEAASA-N 0 1 387.446 3.376 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000187460511 1431737833 /nfs/dbraw/zinc/73/78/33/1431737833.db2.gz AFRMOKDTZPFBEM-MRXNPFEDSA-N 0 1 378.394 3.450 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)[nH]n2)cc1C ZINC000187462214 1431738163 /nfs/dbraw/zinc/73/81/63/1431738163.db2.gz PEZVHWQKOYJKNL-UHFFFAOYSA-N 0 1 384.461 3.317 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)C1(C)C ZINC000187462647 1431738508 /nfs/dbraw/zinc/73/85/08/1431738508.db2.gz DUGBBSBQBZEVPK-JXFKEZNVSA-N 0 1 395.931 3.197 20 0 GGADMN C[C@@H](O)C[C@H](C)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187464304 1431738998 /nfs/dbraw/zinc/73/89/98/1431738998.db2.gz JIWLSEKRTIHBRO-ZENOOKHLSA-N 0 1 375.435 3.014 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000187463970 1431739007 /nfs/dbraw/zinc/73/90/07/1431739007.db2.gz FLTFUNAUVXIJDI-LSDHHAIUSA-N 0 1 386.439 3.089 20 0 GGADMN C[C@H](O)C1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187464267 1431739041 /nfs/dbraw/zinc/73/90/41/1431739041.db2.gz ZGZWEBFKUWKVRE-SUMWQHHRSA-N 0 1 387.446 3.111 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000187463989 1431739244 /nfs/dbraw/zinc/73/92/44/1431739244.db2.gz FLTFUNAUVXIJDI-HUUCEWRRSA-N 0 1 386.439 3.089 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)CCCn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000187469729 1431740940 /nfs/dbraw/zinc/74/09/40/1431740940.db2.gz WRKMLNRRWAWRTK-KRWDZBQOSA-N 0 1 397.445 3.236 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187469688 1431740982 /nfs/dbraw/zinc/74/09/82/1431740982.db2.gz GDKQRABCNPUVPF-FUHWJXTLSA-N 0 1 385.430 3.130 20 0 GGADMN O=C(/C=C/c1ccc[nH]1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000187472357 1431741407 /nfs/dbraw/zinc/74/14/07/1431741407.db2.gz WZAKLIDUVBMMGF-ZHACJKMWSA-N 0 1 387.487 3.384 20 0 GGADMN CCN(CC(C)(C)O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187472785 1431741836 /nfs/dbraw/zinc/74/18/36/1431741836.db2.gz DXSUYDSQQARIPQ-OAHLLOKOSA-N 0 1 375.435 3.111 20 0 GGADMN CC(C)C[C@@H](CO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187472934 1431742021 /nfs/dbraw/zinc/74/20/21/1431742021.db2.gz DAVCWLBXJADLIY-JKSUJKDBSA-N 0 1 375.435 3.014 20 0 GGADMN CC(C)C[C@H](CO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187472953 1431742073 /nfs/dbraw/zinc/74/20/73/1431742073.db2.gz DAVCWLBXJADLIY-HZPDHXFCSA-N 0 1 375.435 3.014 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CCC([C@@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000187474581 1431742483 /nfs/dbraw/zinc/74/24/83/1431742483.db2.gz CVOCRVHAQFKKLJ-OALUTQOASA-N 0 1 375.513 3.326 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@@](C)(O)c3ccccc3)n2)cc1 ZINC000187480586 1431744280 /nfs/dbraw/zinc/74/42/80/1431744280.db2.gz MRYFSEQOBBDYOG-OAQYLSRUSA-N 0 1 396.516 3.286 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](NCCN1CCCOCC1)c1ccccc1 ZINC000187484245 1431745644 /nfs/dbraw/zinc/74/56/44/1431745644.db2.gz REAIJRSUATZDDK-JOCHJYFZSA-N 0 1 397.519 3.077 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)C1(C)C ZINC000187487956 1431746389 /nfs/dbraw/zinc/74/63/89/1431746389.db2.gz USBSCCZZUIGTKI-PGRDOPGGSA-N 0 1 387.524 3.030 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1(C)C ZINC000187494274 1431747857 /nfs/dbraw/zinc/74/78/57/1431747857.db2.gz KCUKTLNZVXRSLD-XMSQKQJNSA-N 0 1 387.524 3.220 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)C1(C)C ZINC000187501297 1431749910 /nfs/dbraw/zinc/74/99/10/1431749910.db2.gz DHDOIHVYQLSYTR-YJBOKZPZSA-N 0 1 396.413 3.362 20 0 GGADMN C[C@@H]1C[C@H](C)CCN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000187503131 1431750228 /nfs/dbraw/zinc/75/02/28/1431750228.db2.gz VKSYZKQUBNSXJT-ZIAGYGMSSA-N 0 1 376.501 3.211 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000187504431 1431750370 /nfs/dbraw/zinc/75/03/70/1431750370.db2.gz LCSDBIOLJKBJIJ-ROUUACIJSA-N 0 1 398.400 3.167 20 0 GGADMN CC(C)(O)c1ccc(CNCc2ccccc2OCC(=O)NCC2CC2)cc1 ZINC000187509378 1431751622 /nfs/dbraw/zinc/75/16/22/1431751622.db2.gz GYCUVIYKAZKFPL-UHFFFAOYSA-N 0 1 382.504 3.109 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187508373 1431751743 /nfs/dbraw/zinc/75/17/43/1431751743.db2.gz PYFHSYNNLDLXSB-RLLQIKCJSA-N 0 1 391.943 3.419 20 0 GGADMN CNC(=O)c1ccc(CN(C)C(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000187508405 1431751764 /nfs/dbraw/zinc/75/17/64/1431751764.db2.gz JRXMJCIWOFCVEF-UHFFFAOYSA-N 0 1 388.880 3.423 20 0 GGADMN COc1ccc(NC(=O)NCCN2CCCOCC2)cc1Cc1ccccc1 ZINC000187519559 1431754953 /nfs/dbraw/zinc/75/49/53/1431754953.db2.gz OCZBVNSOCPHKPS-UHFFFAOYSA-N 0 1 383.492 3.130 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)C1(C)C ZINC000187521965 1431755439 /nfs/dbraw/zinc/75/54/39/1431755439.db2.gz BIVZFKGTFPKESH-BEFAXECRSA-N 0 1 395.475 3.483 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000187526466 1431756782 /nfs/dbraw/zinc/75/67/82/1431756782.db2.gz ZABFQEDJZVYHSZ-UHFFFAOYSA-N 0 1 396.838 3.093 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(COCCOC(C)C)c2)C1(C)C ZINC000187533712 1431758734 /nfs/dbraw/zinc/75/87/34/1431758734.db2.gz FTKPIXSRAGZINL-RXVVDRJESA-N 0 1 378.513 3.099 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1(C)C ZINC000187546282 1431763476 /nfs/dbraw/zinc/76/34/76/1431763476.db2.gz NPRGFKOBEYRJSF-GCJKJVERSA-N 0 1 381.476 3.410 20 0 GGADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)o1 ZINC000187555711 1431765601 /nfs/dbraw/zinc/76/56/01/1431765601.db2.gz ZVAMKBMBDADJRO-BBRMVZONSA-N 0 1 378.469 3.372 20 0 GGADMN CCCCc1nc2ccc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)cc2[nH]1 ZINC000187559324 1431767092 /nfs/dbraw/zinc/76/70/92/1431767092.db2.gz YOJQRFVHFISMBQ-AWEZNQCLSA-N 0 1 375.494 3.059 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cn3)[nH]n2)cc1C ZINC000187560167 1431767444 /nfs/dbraw/zinc/76/74/44/1431767444.db2.gz HVULFKLZTWTNDN-UHFFFAOYSA-N 0 1 377.448 3.177 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc(NC(C)=O)ccc3C)CC2)cc1 ZINC000187563061 1431768173 /nfs/dbraw/zinc/76/81/73/1431768173.db2.gz ZNQJTLYVCGONNQ-UHFFFAOYSA-N 0 1 395.503 3.310 20 0 GGADMN COc1ccc(NC(=O)C[C@H](C)NCc2nc3cc(C)ccc3n2C)c(OC)c1 ZINC000187580616 1431772065 /nfs/dbraw/zinc/77/20/65/1431772065.db2.gz ZUAZDYSXWPOKGL-HNNXBMFYSA-N 0 1 396.491 3.406 20 0 GGADMN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2nc3cc(C)ccc3n2C)c1 ZINC000187580699 1431772471 /nfs/dbraw/zinc/77/24/71/1431772471.db2.gz OOHQCPQFDIXNMJ-HNNXBMFYSA-N 0 1 394.475 3.175 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000187595908 1431775580 /nfs/dbraw/zinc/77/55/80/1431775580.db2.gz MLAXBVSZVIFLJN-UHFFFAOYSA-N 0 1 387.455 3.249 20 0 GGADMN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000187597944 1431775656 /nfs/dbraw/zinc/77/56/56/1431775656.db2.gz BOXLHMBGEBIBSU-RDJZCZTQSA-N 0 1 397.523 3.119 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CCN1CC(C)(C)O ZINC000187601969 1431776534 /nfs/dbraw/zinc/77/65/34/1431776534.db2.gz ARRQVOYJMTYXSJ-UWJYYQICSA-N 0 1 399.510 3.402 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(Br)ncc1Cl ZINC000187601432 1431776776 /nfs/dbraw/zinc/77/67/76/1431776776.db2.gz LIFXWZHBMZLFDO-UHFFFAOYSA-N 0 1 383.608 3.443 20 0 GGADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)[C@H](O)C1CCCCC1 ZINC000187616776 1431780134 /nfs/dbraw/zinc/78/01/34/1431780134.db2.gz UFWGPMHMKATFDG-LJQANCHMSA-N 0 1 388.489 3.367 20 0 GGADMN CC[C@@]1(CO)CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000187619109 1431780601 /nfs/dbraw/zinc/78/06/01/1431780601.db2.gz PZBNIBVCEIFEHB-SPLOXXLWSA-N 0 1 388.581 3.425 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)c1 ZINC000187629227 1431782640 /nfs/dbraw/zinc/78/26/40/1431782640.db2.gz HQDMHJJWMFEFSI-UHFFFAOYSA-N 0 1 383.345 3.211 20 0 GGADMN CC[C@]1(CO)CCCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000187629998 1431783078 /nfs/dbraw/zinc/78/30/78/1431783078.db2.gz HCPZCIXTFMETRS-NRFANRHFSA-N 0 1 376.516 3.238 20 0 GGADMN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1c(O)cccc1F ZINC000187633174 1431784269 /nfs/dbraw/zinc/78/42/69/1431784269.db2.gz COYJTLIMASYESL-GFCCVEGCSA-N 0 1 387.329 3.062 20 0 GGADMN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1c(O)cccc1F ZINC000187633561 1431784358 /nfs/dbraw/zinc/78/43/58/1431784358.db2.gz ACTTVDRHBDDFIG-NSHDSACASA-N 0 1 387.329 3.062 20 0 GGADMN CN(CC1(c2ccccc2)CC1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000187636519 1431784879 /nfs/dbraw/zinc/78/48/79/1431784879.db2.gz SWZPAMHDNRJSEB-UHFFFAOYSA-N 0 1 378.520 3.419 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)[C@H](O)C2CCCCC2)c1 ZINC000187651765 1431789102 /nfs/dbraw/zinc/78/91/02/1431789102.db2.gz AFZSOVCORAXWGT-OAQYLSRUSA-N 0 1 387.524 3.381 20 0 GGADMN CCc1nsc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)CC2)n1 ZINC000187660501 1431792544 /nfs/dbraw/zinc/79/25/44/1431792544.db2.gz ADMHBJWDEXVVJD-UHFFFAOYSA-N 0 1 396.520 3.070 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)C1(C)C ZINC000187701138 1431801587 /nfs/dbraw/zinc/80/15/87/1431801587.db2.gz RZOPEMMMNLVWSY-XOBRGWDASA-N 0 1 388.537 3.335 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000187720815 1431803631 /nfs/dbraw/zinc/80/36/31/1431803631.db2.gz PEHXMWUVDWBSFN-PXNSSMCTSA-N 0 1 387.524 3.024 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)N(CC)CC)CC1 ZINC000187727115 1431804474 /nfs/dbraw/zinc/80/44/74/1431804474.db2.gz UQJUIYOAAONVMR-FXAWDEMLSA-N 0 1 389.540 3.443 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000187729007 1431804672 /nfs/dbraw/zinc/80/46/72/1431804672.db2.gz HNRXRIRFLXMKIA-LRHNDGHRSA-N 0 1 397.922 3.322 20 0 GGADMN CCOCCOc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000187735452 1431805492 /nfs/dbraw/zinc/80/54/92/1431805492.db2.gz LKIJNZDRDCVFSG-AWEZNQCLSA-N 0 1 379.482 3.070 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCc2nn(C)c3ccccc23)N2CCCC2)o1 ZINC000187743739 1431806892 /nfs/dbraw/zinc/80/68/92/1431806892.db2.gz VFWBMBAYNGUPDO-FQEVSTJZSA-N 0 1 395.507 3.154 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc2occ(C)c2c1)c1ccco1 ZINC000187758160 1431809286 /nfs/dbraw/zinc/80/92/86/1431809286.db2.gz IQQZFBJMHGXWPX-QGZVFWFLSA-N 0 1 383.448 3.472 20 0 GGADMN CN1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)C2(CCCCC2)C1 ZINC000187762845 1431809491 /nfs/dbraw/zinc/80/94/91/1431809491.db2.gz IZHQHCGDGIIMGD-UHFFFAOYSA-N 0 1 391.512 3.395 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000187773838 1431810672 /nfs/dbraw/zinc/81/06/72/1431810672.db2.gz JIAURBXBRDPGFV-PMACEKPBSA-N 0 1 397.523 3.048 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)[nH]n2)cc1C ZINC000187786280 1431812373 /nfs/dbraw/zinc/81/23/73/1431812373.db2.gz FPYVRVWOKADBFX-UHFFFAOYSA-N 0 1 376.416 3.301 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000187789048 1431812619 /nfs/dbraw/zinc/81/26/19/1431812619.db2.gz HJDUFNOWQNLRNI-GOSISDBHSA-N 0 1 394.302 3.203 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1c(Cl)cnn1C ZINC000187796496 1431813547 /nfs/dbraw/zinc/81/35/47/1431813547.db2.gz NOJSZIUOJOJIGH-CQSZACIVSA-N 0 1 375.904 3.181 20 0 GGADMN CCN(CC(=O)Nc1ccccc1SCC(N)=O)[C@H](C)Cc1ccsc1 ZINC000187798922 1431813666 /nfs/dbraw/zinc/81/36/66/1431813666.db2.gz UZUPKXDFSAVBPW-CQSZACIVSA-N 0 1 391.562 3.217 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1(C)C ZINC000187801096 1431814020 /nfs/dbraw/zinc/81/40/20/1431814020.db2.gz WJTMMZSFBLZIHY-CPTIDLKLSA-N 0 1 380.554 3.205 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)N(C)C)cc1 ZINC000187804540 1431814515 /nfs/dbraw/zinc/81/45/15/1431814515.db2.gz WQNPIJBVTPSDMS-MRXNPFEDSA-N 0 1 385.430 3.151 20 0 GGADMN CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)[C@H](C)Cc1ccsc1 ZINC000187805563 1431814792 /nfs/dbraw/zinc/81/47/92/1431814792.db2.gz HBMZNODIRAMATP-CYBMUJFWSA-N 0 1 395.475 3.034 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)C1(C)C ZINC000187809498 1431814912 /nfs/dbraw/zinc/81/49/12/1431814912.db2.gz GWZHAPFCJBNSJG-GHTZIAJQSA-N 0 1 376.497 3.024 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000187830481 1431817321 /nfs/dbraw/zinc/81/73/21/1431817321.db2.gz SKBWTNMIUQJWSF-RBBKRZOGSA-N 0 1 375.557 3.337 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187828490 1431817345 /nfs/dbraw/zinc/81/73/45/1431817345.db2.gz IVTIZPBONVVVPT-HXUWFJFHSA-N 0 1 384.524 3.180 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187828490 1431817346 /nfs/dbraw/zinc/81/73/46/1431817346.db2.gz IVTIZPBONVVVPT-HXUWFJFHSA-N 0 1 384.524 3.180 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CC(C)(C)O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000187829543 1431817360 /nfs/dbraw/zinc/81/73/60/1431817360.db2.gz YHCFYHRXHFLXDY-INIZCTEOSA-N 0 1 387.446 3.253 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000187833271 1431817840 /nfs/dbraw/zinc/81/78/40/1431817840.db2.gz ZGFHTUCSOSUEJA-ZVZYQTTQSA-N 0 1 396.491 3.209 20 0 GGADMN O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)NOC[C@@H]1CCOC1 ZINC000187848200 1431819617 /nfs/dbraw/zinc/81/96/17/1431819617.db2.gz HAEQBHLCEBIYIM-LLVKDONJSA-N 0 1 386.395 3.456 20 0 GGADMN 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GGADMN COc1cccc([C@H](CNC(=O)NCc2ccc(C(C)(C)O)cc2)N(C)C)c1 ZINC000188196614 1431859446 /nfs/dbraw/zinc/85/94/46/1431859446.db2.gz UHECLAYWSMNGOL-FQEVSTJZSA-N 0 1 385.508 3.025 20 0 GGADMN CCc1ccc([C@H](CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)N(C)C)cc1 ZINC000188197118 1431859483 /nfs/dbraw/zinc/85/94/83/1431859483.db2.gz FUFCVWNKOQMVAC-KRWDZBQOSA-N 0 1 399.457 3.405 20 0 GGADMN CC(C)[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(CC(F)F)c3)c2C1 ZINC000188195304 1431859533 /nfs/dbraw/zinc/85/95/33/1431859533.db2.gz NPEPSOQMVXUZRA-ZDUSSCGKSA-N 0 1 398.479 3.309 20 0 GGADMN CC(C)[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(CC(F)F)c3)c2C1 ZINC000188195304 1431859537 /nfs/dbraw/zinc/85/95/37/1431859537.db2.gz NPEPSOQMVXUZRA-ZDUSSCGKSA-N 0 1 398.479 3.309 20 0 GGADMN C[C@@H](NC(=O)N1CCSCC[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000188218203 1431862110 /nfs/dbraw/zinc/86/21/10/1431862110.db2.gz LSVSTPRWRMCXAY-JKSUJKDBSA-N 0 1 394.560 3.176 20 0 GGADMN CCCOc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c(C)c1 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392.297 3.480 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(COCc2ccccc2)cc1 ZINC000188301023 1431870992 /nfs/dbraw/zinc/87/09/92/1431870992.db2.gz KROQYBNOIKXLMX-UHFFFAOYSA-N 0 1 383.492 3.247 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)NCCN3CCCOCC3)cn2)c1C ZINC000188299828 1431871061 /nfs/dbraw/zinc/87/10/61/1431871061.db2.gz BEPNFUKENBERDY-UHFFFAOYSA-N 0 1 384.480 3.335 20 0 GGADMN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cnc(-c2ccccc2)nc1 ZINC000188308129 1431871604 /nfs/dbraw/zinc/87/16/04/1431871604.db2.gz XTBFMQBXFGQDGQ-UHFFFAOYSA-N 0 1 389.440 3.401 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000188314655 1431872162 /nfs/dbraw/zinc/87/21/62/1431872162.db2.gz AJRBFRSPRDCWQA-UHFFFAOYSA-N 0 1 387.490 3.198 20 0 GGADMN CCOc1c(Cl)cc(CNC(=O)Cc2n[nH]c3c2CCCC3)cc1OC ZINC000188330865 1431874164 /nfs/dbraw/zinc/87/41/64/1431874164.db2.gz HMGVQZALEMZKKG-UHFFFAOYSA-N 0 1 377.872 3.208 20 0 GGADMN COCc1c(Br)cccc1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188341357 1431875053 /nfs/dbraw/zinc/87/50/53/1431875053.db2.gz 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O=C(Cc1n[nH]c2c1CCCC2)NNc1c(F)cc(F)cc1Br ZINC000188953332 1432015879 /nfs/dbraw/zinc/01/58/79/1432015879.db2.gz MVKYITYNSXUVDX-UHFFFAOYSA-N 0 1 385.212 3.015 20 0 GGADMN NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC000188956394 1432016013 /nfs/dbraw/zinc/01/60/13/1432016013.db2.gz CZTOOSXMXDATHD-UHFFFAOYSA-N 0 1 390.443 3.361 20 0 GGADMN CCOc1c(Cl)cccc1CC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000188961500 1432016893 /nfs/dbraw/zinc/01/68/93/1432016893.db2.gz DLVVDWXQKSTRLA-UHFFFAOYSA-N 0 1 387.911 3.457 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188960587 1432016970 /nfs/dbraw/zinc/01/69/70/1432016970.db2.gz XAOPFXGPKUHNGX-GFCCVEGCSA-N 0 1 394.928 3.416 20 0 GGADMN CC(C)CN(C(=O)C(=O)Nc1ccccc1CN1CCSCC1)C(C)C ZINC000188968469 1432018631 /nfs/dbraw/zinc/01/86/31/1432018631.db2.gz OMDIJQCLOLNBHT-UHFFFAOYSA-N 0 1 377.554 3.067 20 0 GGADMN COC(=O)COc1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)c2ccccc12 ZINC000188974325 1432019971 /nfs/dbraw/zinc/01/99/71/1432019971.db2.gz 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CCc1ccccc1O[C@@H](C(=O)NCCN1CCCOCC1)c1ccccc1 ZINC000189377003 1432095988 /nfs/dbraw/zinc/09/59/88/1432095988.db2.gz GMXRYZVRWQPUHS-JOCHJYFZSA-N 0 1 382.504 3.208 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1n[nH]nc1-c1ccccc1 ZINC000189392972 1432098319 /nfs/dbraw/zinc/09/83/19/1432098319.db2.gz JPXYVVIARQMKCX-ZDUSSCGKSA-N 0 1 385.830 3.273 20 0 GGADMN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1n[nH]nc1-c1ccccc1 ZINC000189396622 1432098563 /nfs/dbraw/zinc/09/85/63/1432098563.db2.gz JPEQDNKCDYERIK-AWEZNQCLSA-N 0 1 399.401 3.082 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1n[nH]nc1-c1ccccc1 ZINC000189396603 1432098578 /nfs/dbraw/zinc/09/85/78/1432098578.db2.gz JPEQDNKCDYERIK-CQSZACIVSA-N 0 1 399.401 3.082 20 0 GGADMN CC(=O)c1ccc(Oc2ccc(C(=O)NCCN3CCCOCC3)cc2)cc1 ZINC000189398343 1432099058 /nfs/dbraw/zinc/09/90/58/1432099058.db2.gz GJVHOPBKWWBTIF-UHFFFAOYSA-N 0 1 382.460 3.134 20 0 GGADMN COc1ccc2c(c1NS(=O)(=O)c1ccc3c(c1)CCCC(=O)N3)CCC2 ZINC000189401132 1432099294 /nfs/dbraw/zinc/09/92/94/1432099294.db2.gz AXKZYBGLGGSFLL-UHFFFAOYSA-N 0 1 386.473 3.260 20 0 GGADMN COc1ccc2c(c1NS(=O)(=O)c1ccc(N3CCCC3=O)cc1)CCC2 ZINC000189402285 1432099507 /nfs/dbraw/zinc/09/95/07/1432099507.db2.gz DKZCBPCRHQKHFG-UHFFFAOYSA-N 0 1 386.473 3.112 20 0 GGADMN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1n[nH]nc1-c1ccccc1 ZINC000189418237 1432104379 /nfs/dbraw/zinc/10/43/79/1432104379.db2.gz MVSFBQHSWLWLKX-CYBMUJFWSA-N 0 1 377.231 3.242 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000189423965 1432105968 /nfs/dbraw/zinc/10/59/68/1432105968.db2.gz DBZYYRXFULFKBN-HXUWFJFHSA-N 0 1 388.895 3.299 20 0 GGADMN CCCN1CCCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1=O ZINC000189425410 1432107265 /nfs/dbraw/zinc/10/72/65/1432107265.db2.gz QREYQLMKTRJBGE-UHFFFAOYSA-N 0 1 393.531 3.227 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC(=O)c3n[nH]nc3-c3ccccc3)n2)c1 ZINC000189457697 1432117956 /nfs/dbraw/zinc/11/79/56/1432117956.db2.gz LPCKQEFWKYXDFG-LBPRGKRZSA-N 0 1 390.403 3.021 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)c3n[nH]nc3-c3ccccc3)n2)c1 ZINC000189457721 1432118057 /nfs/dbraw/zinc/11/80/57/1432118057.db2.gz LPCKQEFWKYXDFG-GFCCVEGCSA-N 0 1 390.403 3.021 20 0 GGADMN O=C(CCCCCc1ccc(F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000189462232 1432120124 /nfs/dbraw/zinc/12/01/24/1432120124.db2.gz OUBHKNYSVFMLBM-FQEVSTJZSA-N 0 1 376.516 3.499 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000189473069 1432125054 /nfs/dbraw/zinc/12/50/54/1432125054.db2.gz KDRHWAGMUCZRAD-XZOQPEGZSA-N 0 1 394.515 3.208 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nnnn1-c1ccccc1 ZINC000189474100 1432125644 /nfs/dbraw/zinc/12/56/44/1432125644.db2.gz PMOSFQSEGDLOHX-USXIJHARSA-N 0 1 386.500 3.149 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nc2ccccc2c(=O)[nH]1 ZINC000189481257 1432129926 /nfs/dbraw/zinc/12/99/26/1432129926.db2.gz SJTBQECVCWGRSE-KBRIMQKVSA-N 0 1 386.496 3.410 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000189481671 1432130034 /nfs/dbraw/zinc/13/00/34/1432130034.db2.gz KXNKEMPRIGHLFJ-GUDVDZBRSA-N 0 1 387.524 3.432 20 0 GGADMN CCS[C@H]1CCCC[C@@H]1NCc1nnc2n1c1ccccc1c(=O)n2CC ZINC000189485896 1432131309 /nfs/dbraw/zinc/13/13/09/1432131309.db2.gz BJXSNAWXUXGIMR-RDJZCZTQSA-N 0 1 385.537 3.218 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000189487799 1432132535 /nfs/dbraw/zinc/13/25/35/1432132535.db2.gz QBUFKTUIBNXVGY-NWDGAFQWSA-N 0 1 395.550 3.234 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189527461 1432149059 /nfs/dbraw/zinc/14/90/59/1432149059.db2.gz PIURMJKFBNCETQ-CYBMUJFWSA-N 0 1 393.944 3.221 20 0 GGADMN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)CCN2CCCC2)CC1 ZINC000189542797 1432155009 /nfs/dbraw/zinc/15/50/09/1432155009.db2.gz JCPPVSQXPWXIIF-UHFFFAOYSA-N 0 1 375.538 3.081 20 0 GGADMN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000189557125 1432158407 /nfs/dbraw/zinc/15/84/07/1432158407.db2.gz IFALAUACGRQBJM-UHFFFAOYSA-N 0 1 375.432 3.172 20 0 GGADMN O=C(NCCC(c1ccccc1)c1ccccc1)NCCN1CCCOCC1 ZINC000189559256 1432159193 /nfs/dbraw/zinc/15/91/93/1432159193.db2.gz ADOPVCVXWHJQFM-UHFFFAOYSA-N 0 1 381.520 3.230 20 0 GGADMN C[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)[C@H](C)C1 ZINC000189560960 1432159615 /nfs/dbraw/zinc/15/96/15/1432159615.db2.gz QBZIUFIELWTOET-QZTJIDSGSA-N 0 1 399.560 3.163 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)N1CCN(CC2CC2)CC1 ZINC000189577832 1432165144 /nfs/dbraw/zinc/16/51/44/1432165144.db2.gz HEPJULKEGLTVCY-INIZCTEOSA-N 0 1 393.915 3.315 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N1CCN(CC2CC2)CC1 ZINC000189577808 1432165254 /nfs/dbraw/zinc/16/52/54/1432165254.db2.gz HEPJULKEGLTVCY-MRXNPFEDSA-N 0 1 393.915 3.315 20 0 GGADMN O[C@@H](CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1)CC(F)(F)F ZINC000189586880 1432167392 /nfs/dbraw/zinc/16/73/92/1432167392.db2.gz CZELNLCOKGPTLP-CMPLNLGQSA-N 0 1 396.335 3.241 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@H](O)C3)cc2Cl)CC1 ZINC000189591114 1432169621 /nfs/dbraw/zinc/16/96/21/1432169621.db2.gz IFSMNJHRIDAPEF-WBVHZDCISA-N 0 1 394.947 3.155 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000189602794 1432172479 /nfs/dbraw/zinc/17/24/79/1432172479.db2.gz KFAVFNRUJRATKH-UHFFFAOYSA-N 0 1 379.867 3.283 20 0 GGADMN O=C(NC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1)c1ccccc1 ZINC000189604112 1432173571 /nfs/dbraw/zinc/17/35/71/1432173571.db2.gz RBRAWSSSRNKYKO-UHFFFAOYSA-N 0 1 392.478 3.465 20 0 GGADMN Cc1ccc(-n2cc(NC(=O)N3CCN(CC4CCOCC4)CC3)cn2)c(C)c1 ZINC000189627725 1432183605 /nfs/dbraw/zinc/18/36/05/1432183605.db2.gz WYDJQYNUOLOHHY-UHFFFAOYSA-N 0 1 397.523 3.065 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1nnnn1-c1ccccc1 ZINC000189632229 1432186027 /nfs/dbraw/zinc/18/60/27/1432186027.db2.gz IWKOEDVGBWGBLH-SNVBAGLBSA-N 0 1 399.867 3.258 20 0 GGADMN C[C@@H](CNC(=O)NCc1ccc(Br)o1)N1CCc2ccccc2C1 ZINC000189644842 1432189097 /nfs/dbraw/zinc/18/90/97/1432189097.db2.gz SQEMQWWFUMVCQU-ZDUSSCGKSA-N 0 1 392.297 3.288 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000189655795 1432193022 /nfs/dbraw/zinc/19/30/22/1432193022.db2.gz KJTBDMXNOBADFO-PMACEKPBSA-N 0 1 376.497 3.330 20 0 GGADMN C[C@H]1CCCCN1C(=O)CN1CCN(CCCCCOc2ccccc2)CC1 ZINC000189657046 1432193191 /nfs/dbraw/zinc/19/31/91/1432193191.db2.gz XLVFGHGASFVIKY-NRFANRHFSA-N 0 1 387.568 3.254 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC(c5cccnc5)=NO4)C3)[nH]c2c1 ZINC000189695878 1432206648 /nfs/dbraw/zinc/20/66/48/1432206648.db2.gz LAKPQQKQFDONAK-UZLBHIALSA-N 0 1 389.459 3.166 20 0 GGADMN Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000189720947 1432213775 /nfs/dbraw/zinc/21/37/75/1432213775.db2.gz CUWVRIVCMJEQBC-PMACEKPBSA-N 0 1 385.508 3.018 20 0 GGADMN Cc1ccccc1C[C@H](CO)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000189720999 1432214248 /nfs/dbraw/zinc/21/42/48/1432214248.db2.gz CUWVRIVCMJEQBC-WOJBJXKFSA-N 0 1 385.508 3.018 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1 ZINC000189720248 1432214294 /nfs/dbraw/zinc/21/42/94/1432214294.db2.gz UYCOTNWMZPCFCP-JOCHJYFZSA-N 0 1 386.492 3.306 20 0 GGADMN Cc1cccc(C[C@H](CO)NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000189721197 1432214661 /nfs/dbraw/zinc/21/46/61/1432214661.db2.gz PKGHNPFONSYOIJ-UXHICEINSA-N 0 1 385.508 3.018 20 0 GGADMN CC[C@](C)(O)CN(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1 ZINC000189729371 1432217368 /nfs/dbraw/zinc/21/73/68/1432217368.db2.gz VQZHSSCVKZFKRL-NRFANRHFSA-N 0 1 391.533 3.132 20 0 GGADMN CC[C@](C)(O)CN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccccc1 ZINC000189734245 1432218049 /nfs/dbraw/zinc/21/80/49/1432218049.db2.gz KEHQVJKVUSSCGC-QFIPXVFZSA-N 0 1 383.492 3.247 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000189737697 1432219730 /nfs/dbraw/zinc/21/97/30/1432219730.db2.gz FHHYNFJTFDFTHT-OAHLLOKOSA-N 0 1 394.947 3.419 20 0 GGADMN COC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000189739118 1432220248 /nfs/dbraw/zinc/22/02/48/1432220248.db2.gz VEMGGSYXJIZEAO-VQTJNVASSA-N 0 1 385.508 3.316 20 0 GGADMN C[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1nnc[nH]1 ZINC000189741202 1432221115 /nfs/dbraw/zinc/22/11/15/1432221115.db2.gz KXFQPGHYAIVQDJ-WCQYABFASA-N 0 1 379.848 3.289 20 0 GGADMN CN1CCCN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC000189742596 1432221393 /nfs/dbraw/zinc/22/13/93/1432221393.db2.gz AJJRTKJADSCKAO-INIZCTEOSA-N 0 1 381.904 3.457 20 0 GGADMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)s1 ZINC000189746962 1432222491 /nfs/dbraw/zinc/22/24/91/1432222491.db2.gz FEIYATGPVOACJO-UHFFFAOYSA-N 0 1 385.470 3.414 20 0 GGADMN C[C@@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccc(Br)s2)cn1 ZINC000189755277 1432225130 /nfs/dbraw/zinc/22/51/30/1432225130.db2.gz NNCOARWZZSGTGO-QMMMGPOBSA-N 0 1 398.286 3.145 20 0 GGADMN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC2(O)CCOCC2)c1 ZINC000189759653 1432226175 /nfs/dbraw/zinc/22/61/75/1432226175.db2.gz YLYGQTMBSSFXBS-NRFANRHFSA-N 0 1 382.504 3.457 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)CC1(O)CCOCC1 ZINC000189767476 1432229550 /nfs/dbraw/zinc/22/95/50/1432229550.db2.gz NPVLONOQIKBBTB-NSHDSACASA-N 0 1 394.821 3.159 20 0 GGADMN CN(CC1(O)CCOCC1)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000189770747 1432230141 /nfs/dbraw/zinc/23/01/41/1432230141.db2.gz XXKUVSGQOBHLIA-IBGZPJMESA-N 0 1 379.460 3.299 20 0 GGADMN CCOc1ccc(-c2nc(CN(C)CC3(O)CCOCC3)cs2)cc1OC ZINC000189778806 1432233176 /nfs/dbraw/zinc/23/31/76/1432233176.db2.gz BZHLNHLNCUWSDR-UHFFFAOYSA-N 0 1 392.521 3.191 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189781656 1432233622 /nfs/dbraw/zinc/23/36/22/1432233622.db2.gz QLKPJXFSGXFRIG-QGZVFWFLSA-N 0 1 384.476 3.279 20 0 GGADMN COc1cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc(OC)c1 ZINC000189781591 1432233849 /nfs/dbraw/zinc/23/38/49/1432233849.db2.gz WYNRDYLFEGFWGE-HXUWFJFHSA-N 0 1 390.430 3.263 20 0 GGADMN O=C(N1CCC[C@H](CN2CCOCC2)C1)C1(Cc2ccccc2Cl)CC1 ZINC000189788019 1432235035 /nfs/dbraw/zinc/23/50/35/1432235035.db2.gz DSTSBLUEHIOYFH-QGZVFWFLSA-N 0 1 376.928 3.234 20 0 GGADMN CN(Cc1cnn(Cc2ccc(F)cc2)c1)C[C@@H](O)COCc1ccccc1 ZINC000189792617 1432236741 /nfs/dbraw/zinc/23/67/41/1432236741.db2.gz ZBKBXGOBIGLUAA-JOCHJYFZSA-N 0 1 383.467 3.080 20 0 GGADMN O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)N1CCN2CCC1CC2 ZINC000189797333 1432237691 /nfs/dbraw/zinc/23/76/91/1432237691.db2.gz IOAZYWCFXNBDRN-UHFFFAOYSA-N 0 1 387.549 3.108 20 0 GGADMN C[C@H](C1CC1)n1cc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000189809874 1432241123 /nfs/dbraw/zinc/24/11/23/1432241123.db2.gz CHPFGHUKBUOFLH-GOSISDBHSA-N 0 1 396.539 3.188 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(C(F)(F)F)c1 ZINC000189815125 1432242786 /nfs/dbraw/zinc/24/27/86/1432242786.db2.gz XMAIECAYUYYQGY-MRXNPFEDSA-N 0 1 396.369 3.229 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C)nc1Cl ZINC000189820623 1432244646 /nfs/dbraw/zinc/24/46/46/1432244646.db2.gz YTAKFSIOCHPMFH-QGZVFWFLSA-N 0 1 393.940 3.329 20 0 GGADMN CNC(=O)c1cccc(CCNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000189825989 1432245749 /nfs/dbraw/zinc/24/57/49/1432245749.db2.gz XGLHBPAVCWIQTL-UHFFFAOYSA-N 0 1 388.880 3.124 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC2 ZINC000189848147 1432252114 /nfs/dbraw/zinc/25/21/14/1432252114.db2.gz UZJJSMJVMYSVFV-KGLIPLIRSA-N 0 1 395.912 3.184 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC2 ZINC000189848114 1432252506 /nfs/dbraw/zinc/25/25/06/1432252506.db2.gz UZJJSMJVMYSVFV-KBPBESRZSA-N 0 1 395.912 3.184 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccnn2-c2cc(C)ccn2)N2CCCC2)o1 ZINC000189849394 1432253248 /nfs/dbraw/zinc/25/32/48/1432253248.db2.gz XBFHNWLMNUXPSN-QGZVFWFLSA-N 0 1 394.479 3.436 20 0 GGADMN COc1ccc(Cn2ccc(NC(=O)NC[C@@H](c3cccs3)N(C)C)n2)cc1 ZINC000189861511 1432256039 /nfs/dbraw/zinc/25/60/39/1432256039.db2.gz KSUYUUXSFMPMHJ-KRWDZBQOSA-N 0 1 399.520 3.426 20 0 GGADMN C[C@H](c1nnnn1C1CCCCC1)N1CCC(CCCN2CCOCC2)CC1 ZINC000189878362 1432260427 /nfs/dbraw/zinc/26/04/27/1432260427.db2.gz KTCZOPBXSONDGK-GOSISDBHSA-N 0 1 390.576 3.064 20 0 GGADMN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189883398 1432262044 /nfs/dbraw/zinc/26/20/44/1432262044.db2.gz QFBOWSIVTJSWGD-GJZGRUSLSA-N 0 1 392.931 3.152 20 0 GGADMN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189883378 1432262219 /nfs/dbraw/zinc/26/22/19/1432262219.db2.gz QFBOWSIVTJSWGD-CABCVRRESA-N 0 1 392.931 3.152 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000189884486 1432262773 /nfs/dbraw/zinc/26/27/73/1432262773.db2.gz JYMYDSLINZLPSB-MDZRGWNJSA-N 0 1 392.931 3.171 20 0 GGADMN C[C@H]1CN=C(N2CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)S1 ZINC000189887524 1432263297 /nfs/dbraw/zinc/26/32/97/1432263297.db2.gz AFYXZSUCXADMHP-JTQLQIEISA-N 0 1 395.941 3.041 20 0 GGADMN C[C@@H]1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1CC(C)(C)O ZINC000189898516 1432266721 /nfs/dbraw/zinc/26/67/21/1432266721.db2.gz XTBFNPZKXGDCJK-NQIIRXRSSA-N 0 1 381.520 3.143 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189902991 1432267875 /nfs/dbraw/zinc/26/78/75/1432267875.db2.gz BYEWVYVZNRDXRR-KBPBESRZSA-N 0 1 378.904 3.228 20 0 GGADMN CC(C)(O)C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000189911975 1432270730 /nfs/dbraw/zinc/27/07/30/1432270730.db2.gz ZERBIVSPVNYGSB-LJQANCHMSA-N 0 1 376.497 3.328 20 0 GGADMN CC(C)(O)CN(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000189911975 1432270740 /nfs/dbraw/zinc/27/07/40/1432270740.db2.gz ZERBIVSPVNYGSB-LJQANCHMSA-N 0 1 376.497 3.328 20 0 GGADMN COc1ccc(-c2nc(CN3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cs2)cc1 ZINC000189910914 1432271172 /nfs/dbraw/zinc/27/11/72/1432271172.db2.gz SMMAJXWXRRAEBS-HNNXBMFYSA-N 0 1 375.538 3.096 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189915239 1432272728 /nfs/dbraw/zinc/27/27/28/1432272728.db2.gz NWHHWHKNVGUXRX-MSOLQXFVSA-N 0 1 375.557 3.222 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(Cl)cc2-n2cccn2)C[C@@H](C)O1 ZINC000189923669 1432275474 /nfs/dbraw/zinc/27/54/74/1432275474.db2.gz QNRASFOTIXDUFI-HUUCEWRRSA-N 0 1 391.903 3.147 20 0 GGADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(CC(C)(C)O)[C@H](C)C2)c(Cl)c1 ZINC000189924678 1432275596 /nfs/dbraw/zinc/27/55/96/1432275596.db2.gz QTCVPGXHGAHROO-CVEARBPZSA-N 0 1 381.948 3.061 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(Cl)cc2-n2cccn2)C[C@H](C)O1 ZINC000189923650 1432275651 /nfs/dbraw/zinc/27/56/51/1432275651.db2.gz QNRASFOTIXDUFI-GJZGRUSLSA-N 0 1 391.903 3.147 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(Cl)cc2-n2cccn2)C[C@H](C)O1 ZINC000189923630 1432275850 /nfs/dbraw/zinc/27/58/50/1432275850.db2.gz QNRASFOTIXDUFI-GASCZTMLSA-N 0 1 391.903 3.147 20 0 GGADMN COCN1C(=O)CCc2cc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)ccc21 ZINC000189940831 1432281715 /nfs/dbraw/zinc/28/17/15/1432281715.db2.gz GOEJMHYMYMWUFW-UHFFFAOYSA-N 0 1 394.406 3.351 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2CCO)N2CCCCC2)cc1 ZINC000189948571 1432286175 /nfs/dbraw/zinc/28/61/75/1432286175.db2.gz NFALZDFXNDNJGY-QMMLZNLJSA-N 0 1 389.540 3.073 20 0 GGADMN Cc1ccc(-c2noc([C@H](C)N3CCN(CC(C)(C)O)[C@H](C)C3)n2)cc1F ZINC000189951194 1432287733 /nfs/dbraw/zinc/28/77/33/1432287733.db2.gz RESMBAZDMDMUCT-CABCVRRESA-N 0 1 376.476 3.022 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)NC3CCN(Cc4cccnc4)CC3)c21 ZINC000189957898 1432288992 /nfs/dbraw/zinc/28/89/92/1432288992.db2.gz GOJOYRBGVXJTCW-UHFFFAOYSA-N 0 1 392.503 3.285 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2ccccc2SC(F)F)C1(C)C ZINC000189966820 1432292100 /nfs/dbraw/zinc/29/21/00/1432292100.db2.gz OABLKAYBVYIYMQ-KBXCAEBGSA-N 0 1 388.480 3.096 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CC2(O)CCCCCC2)N(C)C)c1 ZINC000189971609 1432294300 /nfs/dbraw/zinc/29/43/00/1432294300.db2.gz VEUUHMGOAWQXRN-LJQANCHMSA-N 0 1 377.529 3.025 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC(Cn3cncn3)CC2)c1 ZINC000189976895 1432295443 /nfs/dbraw/zinc/29/54/43/1432295443.db2.gz XQGNQKXECMFGLO-LJQANCHMSA-N 0 1 390.915 3.402 20 0 GGADMN CC(C)n1cc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000189982012 1432297955 /nfs/dbraw/zinc/29/79/55/1432297955.db2.gz GJYDLDRPVRMAMB-MRXNPFEDSA-N 0 1 376.526 3.197 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCc2csc(-c3cccc(OC)c3)n2)C1(C)C ZINC000189989022 1432300731 /nfs/dbraw/zinc/30/07/31/1432300731.db2.gz XOMLFYGWHDATEW-FXAWDEMLSA-N 0 1 376.522 3.474 20 0 GGADMN Cc1cccc2c1OCC[C@H]2NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000189997429 1432301504 /nfs/dbraw/zinc/30/15/04/1432301504.db2.gz RFYNGILJNHWQDL-HXUWFJFHSA-N 0 1 380.492 3.177 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCc2csc(-c3ccccc3OC)n2)C1(C)C ZINC000190004441 1432302750 /nfs/dbraw/zinc/30/27/50/1432302750.db2.gz TZTSWKQFHLTFQQ-YLJYHZDGSA-N 0 1 376.522 3.474 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccccc2Cc2ccccc2)C1(C)C ZINC000190018101 1432305849 /nfs/dbraw/zinc/30/58/49/1432305849.db2.gz HSIDGWGAQPPFMT-QPPBQGQZSA-N 0 1 396.531 3.372 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000190022831 1432306659 /nfs/dbraw/zinc/30/66/59/1432306659.db2.gz HKUBJHOPGZVVPV-CABCVRRESA-N 0 1 383.468 3.418 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000190022774 1432306892 /nfs/dbraw/zinc/30/68/92/1432306892.db2.gz HKUBJHOPGZVVPV-LSDHHAIUSA-N 0 1 383.468 3.418 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000190029402 1432307768 /nfs/dbraw/zinc/30/77/68/1432307768.db2.gz PRZUGCNHFBWJAV-MRXNPFEDSA-N 0 1 377.366 3.110 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190062049 1432313047 /nfs/dbraw/zinc/31/30/47/1432313047.db2.gz LLHAPMIHJOYQBH-UNMCSNQZSA-N 0 1 379.504 3.122 20 0 GGADMN Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ccccc2)cc1C(N)=O ZINC000190080511 1432316004 /nfs/dbraw/zinc/31/60/04/1432316004.db2.gz IPYLXVKFHHTOFH-UHFFFAOYSA-N 0 1 389.864 3.245 20 0 GGADMN CC1CCN(c2ccc(NC(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)cc2)CC1 ZINC000190080373 1432316020 /nfs/dbraw/zinc/31/60/20/1432316020.db2.gz JQTPXCHOGPLIOT-SFHVURJKSA-N 0 1 388.556 3.232 20 0 GGADMN Cn1cnc(S(=O)(=O)Nc2cccc(Cl)c2Br)c1Cl ZINC000190091050 1432318157 /nfs/dbraw/zinc/31/81/57/1432318157.db2.gz OXFSGLWBKWVIRB-UHFFFAOYSA-N 0 1 385.070 3.290 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCN1CC(C)(C)O ZINC000190118106 1432322807 /nfs/dbraw/zinc/32/28/07/1432322807.db2.gz QIZBDMOFKNXLKM-INIZCTEOSA-N 0 1 375.513 3.317 20 0 GGADMN CCCCOc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000190144711 1432327658 /nfs/dbraw/zinc/32/76/58/1432327658.db2.gz HGNDKMUOEMDATP-UHFFFAOYSA-N 0 1 383.492 3.361 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)c2)oc1C ZINC000190147255 1432328133 /nfs/dbraw/zinc/32/81/33/1432328133.db2.gz QLYLPWQHNMLTLP-AWEZNQCLSA-N 0 1 386.496 3.267 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1Oc1cccnc1 ZINC000190149572 1432328420 /nfs/dbraw/zinc/32/84/20/1432328420.db2.gz AFLNGZKWPRLDRA-KRWDZBQOSA-N 0 1 398.507 3.491 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCN1CC(C)(C)O ZINC000190156632 1432329896 /nfs/dbraw/zinc/32/98/96/1432329896.db2.gz QGYPPNWRBPXGPI-ZDUSSCGKSA-N 0 1 388.537 3.483 20 0 GGADMN CC[C@@]1(C)CN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CCO1 ZINC000190160750 1432330545 /nfs/dbraw/zinc/33/05/45/1432330545.db2.gz FTDYMPCTSCKGGL-NQIIRXRSSA-N 0 1 375.513 3.043 20 0 GGADMN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1[nH]nc2c1CCCCC2 ZINC000190171977 1432333368 /nfs/dbraw/zinc/33/33/68/1432333368.db2.gz MDRLRPJNBDCPHO-UHFFFAOYSA-N 0 1 389.459 3.256 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000190174879 1432333707 /nfs/dbraw/zinc/33/37/07/1432333707.db2.gz LHXGDMBLLBJPRR-LLVKDONJSA-N 0 1 377.382 3.153 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000190176401 1432334143 /nfs/dbraw/zinc/33/41/43/1432334143.db2.gz VREFCTNKUFTKPM-HNNXBMFYSA-N 0 1 393.576 3.245 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CCN1CC(C)(C)O ZINC000190190208 1432337088 /nfs/dbraw/zinc/33/70/88/1432337088.db2.gz MCOFDTPODFCUJM-AWEZNQCLSA-N 0 1 388.512 3.434 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCc3cc(Cl)ccc3C)n2)cc1 ZINC000190191339 1432337316 /nfs/dbraw/zinc/33/73/16/1432337316.db2.gz XFFNGQTVSHRCBK-UHFFFAOYSA-N 0 1 385.855 3.442 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCc3cc(Cl)ccc3C)n[nH]2)cc1 ZINC000190191339 1432337320 /nfs/dbraw/zinc/33/73/20/1432337320.db2.gz XFFNGQTVSHRCBK-UHFFFAOYSA-N 0 1 385.855 3.442 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@@H]1CCC[C@@H]1CCO ZINC000190196959 1432338771 /nfs/dbraw/zinc/33/87/71/1432338771.db2.gz BKVCRRUQUMIQCO-ATZDWAIDSA-N 0 1 379.932 3.327 20 0 GGADMN CC(C)(O)CN(C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C1CC1 ZINC000190196804 1432338872 /nfs/dbraw/zinc/33/88/72/1432338872.db2.gz UXYLXGBZVMPGBO-SFHVURJKSA-N 0 1 379.932 3.422 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190197754 1432338911 /nfs/dbraw/zinc/33/89/11/1432338911.db2.gz BFFPDSIXDJPAHT-CQSZACIVSA-N 0 1 383.920 3.436 20 0 GGADMN CC1CCN(c2cccc(NC(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)c2)CC1 ZINC000190204087 1432340526 /nfs/dbraw/zinc/34/05/26/1432340526.db2.gz PMDKIWGDAMWYJX-SFHVURJKSA-N 0 1 388.556 3.232 20 0 GGADMN CC(C)c1c(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cnn1-c1ccccc1Cl ZINC000190215673 1432342598 /nfs/dbraw/zinc/34/25/98/1432342598.db2.gz ZGAGEMWYXOFYHM-LBPRGKRZSA-N 0 1 387.875 3.038 20 0 GGADMN CC(C)c1c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)cnn1-c1ccccc1Cl ZINC000190215654 1432342782 /nfs/dbraw/zinc/34/27/82/1432342782.db2.gz ZGAGEMWYXOFYHM-GFCCVEGCSA-N 0 1 387.875 3.038 20 0 GGADMN CCc1nc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)sc1C ZINC000190222447 1432343849 /nfs/dbraw/zinc/34/38/49/1432343849.db2.gz LLVXETLTVFRSCB-UHFFFAOYSA-N 0 1 380.558 3.370 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000190224105 1432344054 /nfs/dbraw/zinc/34/40/54/1432344054.db2.gz WXFOOEVEIRYJNY-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN CS(=O)(=O)CCNCc1ccc(Oc2cccc(Br)c2)cc1 ZINC000190228405 1432344732 /nfs/dbraw/zinc/34/47/32/1432344732.db2.gz XPZOJPAPORJAPI-UHFFFAOYSA-N 0 1 384.295 3.376 20 0 GGADMN Cc1cccc(OC[C@@H](O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000190243394 1432347730 /nfs/dbraw/zinc/34/77/30/1432347730.db2.gz KVLMLOQITKMGRW-LBPRGKRZSA-N 0 1 391.880 3.270 20 0 GGADMN C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190254311 1432349313 /nfs/dbraw/zinc/34/93/13/1432349313.db2.gz TVVWYYLJOAPVKY-HNNXBMFYSA-N 0 1 395.507 3.036 20 0 GGADMN O=C(NCCc1ccc(F)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000190290873 1432354521 /nfs/dbraw/zinc/35/45/21/1432354521.db2.gz RMKNVCJQNYVIOR-AWEZNQCLSA-N 0 1 375.423 3.092 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ncc(C(C)C)s1)c1ccsc1 ZINC000190308431 1432357284 /nfs/dbraw/zinc/35/72/84/1432357284.db2.gz WECNCGFLQYSPKB-AWEZNQCLSA-N 0 1 394.566 3.466 20 0 GGADMN C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1cc2ccccc2o1 ZINC000190307783 1432357395 /nfs/dbraw/zinc/35/73/95/1432357395.db2.gz DJIUSIBNOFFUEQ-ZDUSSCGKSA-N 0 1 376.416 3.306 20 0 GGADMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(F)nc3)cc2c1C ZINC000190326649 1432362108 /nfs/dbraw/zinc/36/21/08/1432362108.db2.gz SCYGVGFELPHHRR-UHFFFAOYSA-N 0 1 378.381 3.253 20 0 GGADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000190366240 1432367855 /nfs/dbraw/zinc/36/78/55/1432367855.db2.gz MATIFFKDCGUPTD-UHFFFAOYSA-N 0 1 399.451 3.375 20 0 GGADMN Cc1c(C(=O)NC2(c3nnc[nH]3)CCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000190370459 1432368561 /nfs/dbraw/zinc/36/85/61/1432368561.db2.gz MJBHIQLHNDFHEH-UHFFFAOYSA-N 0 1 390.369 3.127 20 0 GGADMN CCOc1c(Cl)cc(C=CC(=O)NC2(c3nnc[nH]3)CCC2)cc1OC ZINC000190372726 1432368916 /nfs/dbraw/zinc/36/89/16/1432368916.db2.gz BRJNECRDNVRYRJ-AATRIKPKSA-N 0 1 376.844 3.074 20 0 GGADMN CCCOc1cc(OC)ccc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000190384190 1432371124 /nfs/dbraw/zinc/37/11/24/1432371124.db2.gz HVJHXSIXJNBJQN-UHFFFAOYSA-N 0 1 383.492 3.273 20 0 GGADMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000190385586 1432371336 /nfs/dbraw/zinc/37/13/36/1432371336.db2.gz PSAIYWQDQJPGSN-UHFFFAOYSA-N 0 1 396.516 3.162 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)N(c3ccccc3)C3CCN(C)CC3)ccc2O1 ZINC000190386426 1432371497 /nfs/dbraw/zinc/37/14/97/1432371497.db2.gz WDIYVZGHGHXLKF-INIZCTEOSA-N 0 1 386.517 3.300 20 0 GGADMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc3c(c2)N(C)CCC3)CC1 ZINC000190384590 1432371530 /nfs/dbraw/zinc/37/15/30/1432371530.db2.gz CHSLYEZLAYUWOK-UHFFFAOYSA-N 0 1 399.560 3.359 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c2c1CCCCC2 ZINC000190407696 1432375721 /nfs/dbraw/zinc/37/57/21/1432375721.db2.gz PHKVZKQNECWASA-GOSISDBHSA-N 0 1 381.524 3.200 20 0 GGADMN COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(OC(F)F)c1 ZINC000190415354 1432377639 /nfs/dbraw/zinc/37/76/39/1432377639.db2.gz WIVAOFSOEZDTMD-INIZCTEOSA-N 0 1 382.382 3.468 20 0 GGADMN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1ccc(F)c(F)c1 ZINC000190418737 1432377985 /nfs/dbraw/zinc/37/79/85/1432377985.db2.gz YLLZYTDIYCERRK-QGZVFWFLSA-N 0 1 375.419 3.377 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)c1cccs1 ZINC000190425729 1432379614 /nfs/dbraw/zinc/37/96/14/1432379614.db2.gz NZYZLPHLVIWJPP-MRXNPFEDSA-N 0 1 392.500 3.138 20 0 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20 0 GGADMN CCCOc1ccc(CNC(=O)CCN2CCN(c3ccccn3)CC2)c(C)c1 ZINC000191116263 1432570913 /nfs/dbraw/zinc/57/09/13/1432570913.db2.gz SAINXWSJQKAESJ-UHFFFAOYSA-N 0 1 396.535 3.007 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)Cc1ccccc1 ZINC000191145534 1432576360 /nfs/dbraw/zinc/57/63/60/1432576360.db2.gz QDGWYMDFPJJAAU-FCHUYYIVSA-N 0 1 387.568 3.255 20 0 GGADMN O[C@H](CNCc1nccn1-c1ccccc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000191163196 1432579599 /nfs/dbraw/zinc/57/95/99/1432579599.db2.gz ARTOQVBDMMJDQO-QGZVFWFLSA-N 0 1 385.851 3.120 20 0 GGADMN O[C@@H](CNCc1nccn1-c1ccccc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000191163180 1432579909 /nfs/dbraw/zinc/57/99/09/1432579909.db2.gz ARTOQVBDMMJDQO-KRWDZBQOSA-N 0 1 385.851 3.120 20 0 GGADMN C[C@@H](c1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000191177571 1432583600 /nfs/dbraw/zinc/58/36/00/1432583600.db2.gz RABNVVYFEUEGDN-XGUBFFRZSA-N 0 1 380.489 3.312 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])[C@@H]1CO ZINC000191181027 1432584134 /nfs/dbraw/zinc/58/41/34/1432584134.db2.gz GUNOCXHIDJRREM-PRHODGIISA-N 0 1 379.092 3.120 20 0 GGADMN Cn1cc([C@H]2CSCCN2CCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000191181595 1432584739 /nfs/dbraw/zinc/58/47/39/1432584739.db2.gz ZLBAXDSQCAWUIV-MRXNPFEDSA-N 0 1 389.912 3.456 20 0 GGADMN COC(=O)c1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)c(N(C)C)c1 ZINC000191187065 1432586184 /nfs/dbraw/zinc/58/61/84/1432586184.db2.gz WVHLMPKMBAQAJS-INIZCTEOSA-N 0 1 390.509 3.025 20 0 GGADMN C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC000191194632 1432587800 /nfs/dbraw/zinc/58/78/00/1432587800.db2.gz VVOIZTIVEPHTQF-KEYYUXOJSA-N 0 1 381.492 3.094 20 0 GGADMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)cnn1C(C)(C)C ZINC000191200378 1432589577 /nfs/dbraw/zinc/58/95/77/1432589577.db2.gz XCSUIPQGQOWFPT-CQSZACIVSA-N 0 1 378.542 3.048 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191205044 1432591366 /nfs/dbraw/zinc/59/13/66/1432591366.db2.gz PKDBBFWAXKLDEQ-KGLIPLIRSA-N 0 1 378.542 3.266 20 0 GGADMN Cc1c([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)cnn1C(C)(C)C ZINC000191229988 1432597689 /nfs/dbraw/zinc/59/76/89/1432597689.db2.gz MDFCRUYZZTXUTD-ZDUSSCGKSA-N 0 1 398.960 3.229 20 0 GGADMN Cc1c([C@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)cnn1C(C)C ZINC000191267908 1432614394 /nfs/dbraw/zinc/61/43/94/1432614394.db2.gz PWOALDYVJPPTKH-INIZCTEOSA-N 0 1 392.569 3.451 20 0 GGADMN CSC1(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)CC1 ZINC000191276214 1432618424 /nfs/dbraw/zinc/61/84/24/1432618424.db2.gz USTBHCKHSFLERZ-UHFFFAOYSA-N 0 1 382.283 3.097 20 0 GGADMN CSC1(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)CC1 ZINC000191276214 1432618435 /nfs/dbraw/zinc/61/84/35/1432618435.db2.gz USTBHCKHSFLERZ-UHFFFAOYSA-N 0 1 382.283 3.097 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC000191299592 1432624611 /nfs/dbraw/zinc/62/46/11/1432624611.db2.gz UKGDGLPMLWUYGG-GOEBONIOSA-N 0 1 380.400 3.015 20 0 GGADMN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNC(=O)c2cc3ccccc3o2)c1 ZINC000191299577 1432624848 /nfs/dbraw/zinc/62/48/48/1432624848.db2.gz UKGDGLPMLWUYGG-ZBFHGGJFSA-N 0 1 380.400 3.015 20 0 GGADMN Cc1ccc([C@H](O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191322208 1432632045 /nfs/dbraw/zinc/63/20/45/1432632045.db2.gz KOKRRFPCSXMOPD-CQSZACIVSA-N 0 1 386.443 3.111 20 0 GGADMN COCCN(C)c1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cn1 ZINC000191346868 1432637931 /nfs/dbraw/zinc/63/79/31/1432637931.db2.gz YRMIOXQTKGJGLT-JOCHJYFZSA-N 0 1 387.499 3.249 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nc(Br)cs1 ZINC000191362762 1432641582 /nfs/dbraw/zinc/64/15/82/1432641582.db2.gz RMXPUBSGEPNOPG-YPMHNXCESA-N 0 1 380.311 3.156 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nc(Br)cs1 ZINC000191362776 1432641746 /nfs/dbraw/zinc/64/17/46/1432641746.db2.gz RMXPUBSGEPNOPG-AAEUAGOBSA-N 0 1 380.311 3.156 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cnn(C(C)(C)C)c3C)C2=O)cc1 ZINC000191367344 1432643024 /nfs/dbraw/zinc/64/30/24/1432643024.db2.gz XCDMBXPGGCDCQC-FOIQADDNSA-N 0 1 384.524 3.407 20 0 GGADMN CCC1(CC)[C@@H](NCc2nc3cc(S(=O)(=O)CC)ccc3o2)C[C@@H]1OC ZINC000191375295 1432644993 /nfs/dbraw/zinc/64/49/93/1432644993.db2.gz NFYDOGDOKKMOFG-IRXDYDNUSA-N 0 1 380.510 3.305 20 0 GGADMN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000191381354 1432646892 /nfs/dbraw/zinc/64/68/92/1432646892.db2.gz CQOWZVAMZRGSJU-IAOVAPTHSA-N 0 1 386.414 3.406 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nc(-c2ccc(OC)cc2OC)no1 ZINC000191388961 1432648197 /nfs/dbraw/zinc/64/81/97/1432648197.db2.gz GBCZECOEQWTDOH-DLBZAZTESA-N 0 1 375.469 3.437 20 0 GGADMN CCC1(CC)[C@H](NCc2nc(-c3ccc(OC)cc3OC)no2)C[C@@H]1OC ZINC000191388915 1432648361 /nfs/dbraw/zinc/64/83/61/1432648361.db2.gz GBCZECOEQWTDOH-SJORKVTESA-N 0 1 375.469 3.437 20 0 GGADMN CCC1(CC)[C@@H](NCc2nc(-c3ccc(OC)cc3OC)no2)C[C@@H]1OC ZINC000191388931 1432648443 /nfs/dbraw/zinc/64/84/43/1432648443.db2.gz GBCZECOEQWTDOH-IRXDYDNUSA-N 0 1 375.469 3.437 20 0 GGADMN O=C(N[C@H]1CCCc2c(O)cccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191391637 1432649645 /nfs/dbraw/zinc/64/96/45/1432649645.db2.gz JRMLZQHZRWDVRR-YOEHRIQHSA-N 0 1 381.480 3.354 20 0 GGADMN O=C(N[C@@H]1CCCc2c(O)cccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191391684 1432649857 /nfs/dbraw/zinc/64/98/57/1432649857.db2.gz JRMLZQHZRWDVRR-RHSMWYFYSA-N 0 1 381.480 3.354 20 0 GGADMN C[NH+](C)CCn1c(=O)oc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000191416563 1432657565 /nfs/dbraw/zinc/65/75/65/1432657565.db2.gz ZQNQOVBDABIPFE-UHFFFAOYSA-N 0 1 379.819 3.266 20 0 GGADMN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000191418453 1432658043 /nfs/dbraw/zinc/65/80/43/1432658043.db2.gz DDPHKVVYMALOHQ-SFHVURJKSA-N 0 1 379.460 3.415 20 0 GGADMN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000191423291 1432659405 /nfs/dbraw/zinc/65/94/05/1432659405.db2.gz QENKXTOPFKNOLI-GOSISDBHSA-N 0 1 379.460 3.415 20 0 GGADMN COc1ccc2nc(SCCN(Cc3ccccc3)S(C)(=O)=O)[nH]c2c1 ZINC000191432449 1432660709 /nfs/dbraw/zinc/66/07/09/1432660709.db2.gz AFBDNHIGKPJAJH-UHFFFAOYSA-N 0 1 391.518 3.125 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(O)c1 ZINC000191436323 1432661099 /nfs/dbraw/zinc/66/10/99/1432661099.db2.gz CVUHZDQDUVDGQT-BRWVUGGUSA-N 0 1 383.492 3.295 20 0 GGADMN COCCN(C)c1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cn1 ZINC000191459807 1432666117 /nfs/dbraw/zinc/66/61/17/1432666117.db2.gz VLWSLMAOBJNPQO-UHFFFAOYSA-N 0 1 397.445 3.217 20 0 GGADMN COCCN(C)c1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cn1 ZINC000191473729 1432668333 /nfs/dbraw/zinc/66/83/33/1432668333.db2.gz PLTFUCVHTHLLNZ-INIZCTEOSA-N 0 1 397.445 3.217 20 0 GGADMN Cc1c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cnn1C(C)(C)C ZINC000191502864 1432673885 /nfs/dbraw/zinc/67/38/85/1432673885.db2.gz OIBGCHDZQXSUOM-UWJYYQICSA-N 0 1 398.551 3.067 20 0 GGADMN Cc1c([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cnn1C(C)(C)C ZINC000191501909 1432674093 /nfs/dbraw/zinc/67/40/93/1432674093.db2.gz KXUDGHBVXJBFIN-HNNXBMFYSA-N 0 1 390.553 3.337 20 0 GGADMN Cc1c([C@@H](C)NCc2cnc(N3CCOCC3)c(F)c2)cnn1C(C)(C)C ZINC000191501755 1432674222 /nfs/dbraw/zinc/67/42/22/1432674222.db2.gz YOSHJNVCHSCUTL-CQSZACIVSA-N 0 1 375.492 3.168 20 0 GGADMN Cc1c([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cnn1C(C)C ZINC000191501861 1432674318 /nfs/dbraw/zinc/67/43/18/1432674318.db2.gz XZZJPXMTOHCCRO-OAHLLOKOSA-N 0 1 376.526 3.163 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCc2cc(Cl)ccc2C1 ZINC000191514286 1432676971 /nfs/dbraw/zinc/67/69/71/1432676971.db2.gz TXDIOIWWHZXODI-UHFFFAOYSA-N 0 1 399.903 3.314 20 0 GGADMN CCN(C)c1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cn1 ZINC000191527478 1432678531 /nfs/dbraw/zinc/67/85/31/1432678531.db2.gz VHUIWRQGMPUWAV-FPOVZHCZSA-N 0 1 388.943 3.353 20 0 GGADMN Cc1cc(Br)cnc1NS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000191546923 1432681258 /nfs/dbraw/zinc/68/12/58/1432681258.db2.gz DRUTYLIQOZBQFR-UHFFFAOYSA-N 0 1 381.251 3.328 20 0 GGADMN CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)c1cccc(O)c1 ZINC000191550336 1432681494 /nfs/dbraw/zinc/68/14/94/1432681494.db2.gz BGEBMGSFOWVXHX-UHFFFAOYSA-N 0 1 385.533 3.406 20 0 GGADMN CCN(C)c1ccc(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000191565105 1432684047 /nfs/dbraw/zinc/68/40/47/1432684047.db2.gz OIPUVSMYNZHOSO-QGZVFWFLSA-N 0 1 376.863 3.225 20 0 GGADMN CCN(C)c1ccc(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000191565122 1432684266 /nfs/dbraw/zinc/68/42/66/1432684266.db2.gz OIPUVSMYNZHOSO-KRWDZBQOSA-N 0 1 376.863 3.225 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC3CCN(CC(F)(F)F)CC3)n2)c1 ZINC000191567271 1432684807 /nfs/dbraw/zinc/68/48/07/1432684807.db2.gz MEQJOVDUWGGJDA-GFCCVEGCSA-N 0 1 384.402 3.423 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)[C@H]1CC(c2cccnc2)=NO1 ZINC000191606316 1432691319 /nfs/dbraw/zinc/69/13/19/1432691319.db2.gz BLDGVAAHBWBDNS-LJQANCHMSA-N 0 1 384.399 3.152 20 0 GGADMN CCc1c(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccccc1C ZINC000191628192 1432695573 /nfs/dbraw/zinc/69/55/73/1432695573.db2.gz NCVHJONKPYRSGT-ROUUACIJSA-N 0 1 399.539 3.364 20 0 GGADMN CCc1c(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cnn1-c1ccccc1C ZINC000191636537 1432697324 /nfs/dbraw/zinc/69/73/24/1432697324.db2.gz DOGSYALDMFNVKV-GOSISDBHSA-N 0 1 399.539 3.221 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2cnc(-c3cccs3)s2)C1=O ZINC000191640261 1432698829 /nfs/dbraw/zinc/69/88/29/1432698829.db2.gz IHVOJAJJAZZGEM-CQSZACIVSA-N 0 1 387.534 3.373 20 0 GGADMN C[C@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nnnn1C1CC1 ZINC000191643974 1432699237 /nfs/dbraw/zinc/69/92/37/1432699237.db2.gz HDAGUVVBZZPWOO-INIZCTEOSA-N 0 1 390.491 3.131 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(c3ccncc3)CC2)cc1OC ZINC000191645757 1432699696 /nfs/dbraw/zinc/69/96/96/1432699696.db2.gz GTHQVLQEOMLURG-KRWDZBQOSA-N 0 1 397.519 3.325 20 0 GGADMN COc1cc(OC)c(NC(=O)CN2CCC[C@@]2(CO)CC(C)C)cc1Cl ZINC000191650689 1432700437 /nfs/dbraw/zinc/70/04/37/1432700437.db2.gz RITRBEVLJCCOIN-IBGZPJMESA-N 0 1 384.904 3.169 20 0 GGADMN COc1cc(CN[C@@H]2CCCc3c(O)cccc32)cc(Cl)c1OCC(N)=O ZINC000191660354 1432701627 /nfs/dbraw/zinc/70/16/27/1432701627.db2.gz APGXAMQGPLGPLN-MRXNPFEDSA-N 0 1 390.867 3.086 20 0 GGADMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1CC(c2cccnc2)=NO1 ZINC000191675923 1432703712 /nfs/dbraw/zinc/70/37/12/1432703712.db2.gz UNCPETBJNNWKGL-FGZHOGPDSA-N 0 1 397.438 3.357 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1CC(c2cccnc2)=NO1 ZINC000191675905 1432703765 /nfs/dbraw/zinc/70/37/65/1432703765.db2.gz UNCPETBJNNWKGL-YADHBBJMSA-N 0 1 397.438 3.357 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191675874 1432703921 /nfs/dbraw/zinc/70/39/21/1432703921.db2.gz UNCPETBJNNWKGL-VXKWHMMOSA-N 0 1 397.438 3.357 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1Cl ZINC000191684219 1432705415 /nfs/dbraw/zinc/70/54/15/1432705415.db2.gz BKPKILHLUGNQBF-KRWDZBQOSA-N 0 1 377.920 3.499 20 0 GGADMN Cc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)c(-n2cc(Cl)cn2)n1 ZINC000191693309 1432707960 /nfs/dbraw/zinc/70/79/60/1432707960.db2.gz UYGCWFHSMAABQF-UHFFFAOYSA-N 0 1 384.802 3.175 20 0 GGADMN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1[nH]nc2c1CCCCC2 ZINC000191726939 1432713470 /nfs/dbraw/zinc/71/34/70/1432713470.db2.gz AECSZEIJOHSNTK-ZDUSSCGKSA-N 0 1 390.434 3.289 20 0 GGADMN O=S(=O)(Nc1cccnc1-n1cccn1)c1ccc(CC(F)(F)F)cc1 ZINC000191752051 1432718049 /nfs/dbraw/zinc/71/80/49/1432718049.db2.gz FOHCKYVWBIXULK-UHFFFAOYSA-N 0 1 382.367 3.173 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cn1 ZINC000191752244 1432718205 /nfs/dbraw/zinc/71/82/05/1432718205.db2.gz VRQQXTNYKAUNDF-UHFFFAOYSA-N 0 1 390.383 3.012 20 0 GGADMN CCOc1ccccc1NC(=O)CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191751959 1432718306 /nfs/dbraw/zinc/71/83/06/1432718306.db2.gz VKLRPKCYBYZFGJ-FQEVSTJZSA-N 0 1 395.503 3.147 20 0 GGADMN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000191768693 1432721672 /nfs/dbraw/zinc/72/16/72/1432721672.db2.gz OLUKQRPTTKAGOU-GOEBONIOSA-N 0 1 381.904 3.456 20 0 GGADMN COC(=O)[C@H]1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C[C@H]1C ZINC000191790914 1432725685 /nfs/dbraw/zinc/72/56/85/1432725685.db2.gz MBZYBRQAYVXHMM-QAPCUYQASA-N 0 1 378.488 3.084 20 0 GGADMN CCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000191791044 1432725860 /nfs/dbraw/zinc/72/58/60/1432725860.db2.gz FBOUNYJEKIYJCW-UHFFFAOYSA-N 0 1 396.472 3.021 20 0 GGADMN CCOc1c(OC)cc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191801346 1432728591 /nfs/dbraw/zinc/72/85/91/1432728591.db2.gz ZBVARFXJJLPUNH-LJQANCHMSA-N 0 1 398.503 3.302 20 0 GGADMN CC(=O)CC(C)(C)CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000191805753 1432729371 /nfs/dbraw/zinc/72/93/71/1432729371.db2.gz XHBZSOCRAFGUNU-MRXNPFEDSA-N 0 1 377.504 3.150 20 0 GGADMN COc1cc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)ccc1OC(F)F ZINC000191809738 1432730360 /nfs/dbraw/zinc/73/03/60/1432730360.db2.gz AEJJGCNXVBQGLM-QGZVFWFLSA-N 0 1 390.430 3.496 20 0 GGADMN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)n1 ZINC000191818200 1432732209 /nfs/dbraw/zinc/73/22/09/1432732209.db2.gz MOBFNNMFCPXIBX-UHFFFAOYSA-N 0 1 376.478 3.187 20 0 GGADMN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1nnc2ccccc2c1O ZINC000191827340 1432733300 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COc1cccc([C@@H]2CCCN2CCN(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000191862808 1432741832 /nfs/dbraw/zinc/74/18/32/1432741832.db2.gz ZPSUDYOWQLPOCK-NRFANRHFSA-N 0 1 388.533 3.294 20 0 GGADMN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000191885580 1432747413 /nfs/dbraw/zinc/74/74/13/1432747413.db2.gz RPRRTPDZBGKRFA-GDBMZVCRSA-N 0 1 383.423 3.182 20 0 GGADMN COC(=O)C[C@@](C)(NCc1ccc(OC)c(OC(F)F)c1)c1ccncc1 ZINC000191903052 1432751525 /nfs/dbraw/zinc/75/15/25/1432751525.db2.gz XCUDHPQZFJUSMM-LJQANCHMSA-N 0 1 380.391 3.260 20 0 GGADMN COC(=O)C[C@](C)(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccncc1 ZINC000191903559 1432751566 /nfs/dbraw/zinc/75/15/66/1432751566.db2.gz PNKJLMFTGCZXDR-UNMCSNQZSA-N 0 1 384.476 3.208 20 0 GGADMN COC(=O)C[C@](C)(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccncc1 ZINC000191903580 1432751745 /nfs/dbraw/zinc/75/17/45/1432751745.db2.gz PNKJLMFTGCZXDR-IRLDBZIGSA-N 0 1 384.476 3.208 20 0 GGADMN COc1ccc([C@H]2CCCN2CCN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000191910953 1432753583 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ZINC000192036721 1432783382 /nfs/dbraw/zinc/78/33/82/1432783382.db2.gz SDRYZFZPGUXJSC-CTNGQTDRSA-N 0 1 388.895 3.222 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192036708 1432783534 /nfs/dbraw/zinc/78/35/34/1432783534.db2.gz SDRYZFZPGUXJSC-TZIWHRDSSA-N 0 1 388.895 3.222 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192048788 1432786771 /nfs/dbraw/zinc/78/67/71/1432786771.db2.gz BQHKZZDHPYNMLN-PZJWPPBQSA-N 0 1 388.895 3.475 20 0 GGADMN O=C(NNC(=O)c1cccc([N+](=O)[O-])c1Br)c1cccc(Cl)c1 ZINC000192058059 1432789329 /nfs/dbraw/zinc/78/93/29/1432789329.db2.gz HDDQEGUCDISCIQ-UHFFFAOYSA-N 0 1 398.600 3.086 20 0 GGADMN O=C(NC[C@@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000192057225 1432789366 /nfs/dbraw/zinc/78/93/66/1432789366.db2.gz CVNBDCBKHOOQHE-LAUBAEHRSA-N 0 1 377.488 3.082 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192060756 1432790134 /nfs/dbraw/zinc/79/01/34/1432790134.db2.gz ZIJOSMBRAOFECG-PZJWPPBQSA-N 0 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CC(C)Cc1nnc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000192124712 1432801878 /nfs/dbraw/zinc/80/18/78/1432801878.db2.gz LXTNEMZLHDXTKV-WMLDXEAASA-N 0 1 396.463 3.073 20 0 GGADMN C[C@H](c1nnnn1C1CC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000192126020 1432802146 /nfs/dbraw/zinc/80/21/46/1432802146.db2.gz VNYAVKYZFJNNTC-MRXNPFEDSA-N 0 1 386.503 3.457 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000192130564 1432803474 /nfs/dbraw/zinc/80/34/74/1432803474.db2.gz YTCTXSYXEGOUBU-RHSMWYFYSA-N 0 1 396.463 3.217 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000192132563 1432803843 /nfs/dbraw/zinc/80/38/43/1432803843.db2.gz MODJANURYLEGRM-JXFKEZNVSA-N 0 1 392.402 3.040 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192132467 1432803893 /nfs/dbraw/zinc/80/38/93/1432803893.db2.gz AYBGZEUPRNBBSB-OXQOHEQNSA-N 0 1 376.403 3.340 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCc1cccc(Cl)c1 ZINC000192133866 1432804106 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396.478 3.096 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCCc1cccs1 ZINC000192136836 1432804748 /nfs/dbraw/zinc/80/47/48/1432804748.db2.gz OXBFHDFYHAJICK-JBBXEZCESA-N 0 1 380.460 3.193 20 0 GGADMN CCc1nc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)sc1C ZINC000192137617 1432804917 /nfs/dbraw/zinc/80/49/17/1432804917.db2.gz DNPQKABVTYVCDT-NVXWUHKLSA-N 0 1 381.448 3.350 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000192138801 1432805246 /nfs/dbraw/zinc/80/52/46/1432805246.db2.gz YZMAGNBEYOCFLC-MJGOQNOKSA-N 0 1 380.822 3.354 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)cc1 ZINC000192138788 1432805312 /nfs/dbraw/zinc/80/53/12/1432805312.db2.gz YZMAGNBEYOCFLC-IEBWSBKVSA-N 0 1 380.822 3.354 20 0 GGADMN O=C1[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCN1c1ccccc1F ZINC000192140912 1432805615 /nfs/dbraw/zinc/80/56/15/1432805615.db2.gz JWVCRMKLCFMTBO-ZHALLVOQSA-N 0 1 376.378 3.329 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 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GDUOIWFMXIGQJH-IBGZPJMESA-N 0 1 390.499 3.425 20 0 GGADMN CC(C)(NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000192160442 1432809953 /nfs/dbraw/zinc/80/99/53/1432809953.db2.gz GRKPJHYDRAVWDJ-UHFFFAOYSA-N 0 1 382.476 3.251 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCS[C@@H](C)CC2)cc1OC ZINC000192188540 1432813700 /nfs/dbraw/zinc/81/37/00/1432813700.db2.gz BLSAWHRTOJLCTB-DOTOQJQBSA-N 0 1 378.538 3.195 20 0 GGADMN C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCS1 ZINC000192190443 1432813896 /nfs/dbraw/zinc/81/38/96/1432813896.db2.gz YZQALGVZHCFRCX-SJLPKXTDSA-N 0 1 390.549 3.339 20 0 GGADMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192190536 1432813988 /nfs/dbraw/zinc/81/39/88/1432813988.db2.gz YAFFUHRBDGSBLO-SFHVURJKSA-N 0 1 388.508 3.499 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCS[C@@H](C)CC2)c(OC)c1 ZINC000192193814 1432814197 /nfs/dbraw/zinc/81/41/97/1432814197.db2.gz XYXCKPDZBZWBSA-MAUKXSAKSA-N 0 1 378.538 3.195 20 0 GGADMN CCCc1c(NC(=O)c2nnc3ccccc3c2O)cnn1-c1ccc(F)cc1 ZINC000192233729 1432820470 /nfs/dbraw/zinc/82/04/70/1432820470.db2.gz ANGSKLBKJYKBRZ-UHFFFAOYSA-N 0 1 391.406 3.453 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCS[C@H](C)CC3)cc2)C[C@@H](C)O1 ZINC000192234332 1432820712 /nfs/dbraw/zinc/82/07/12/1432820712.db2.gz QUELXLMBIBJWKL-KZNAEPCWSA-N 0 1 391.581 3.333 20 0 GGADMN CCCc1c(NC(=O)c2cnc3c(cnn3C)c2O)cnn1-c1ccc(F)cc1 ZINC000192233931 1432820716 /nfs/dbraw/zinc/82/07/16/1432820716.db2.gz OVSGBVUSGKYLBH-UHFFFAOYSA-N 0 1 394.410 3.204 20 0 GGADMN CCCc1c(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)cnn1-c1ccc(F)cc1 ZINC000192233931 1432820721 /nfs/dbraw/zinc/82/07/21/1432820721.db2.gz OVSGBVUSGKYLBH-UHFFFAOYSA-N 0 1 394.410 3.204 20 0 GGADMN CC1(C)Cc2cc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000192243247 1432821527 /nfs/dbraw/zinc/82/15/27/1432821527.db2.gz BLXBQILHGYZSRV-HXUWFJFHSA-N 0 1 375.472 3.162 20 0 GGADMN CC(C)Oc1ccc(N(C)C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000192263514 1432824273 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CCN(CC)C(=O)[C@@H](C)N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192343322 1432834233 /nfs/dbraw/zinc/83/42/33/1432834233.db2.gz ZCKMSIWCKRDZHC-OAHLLOKOSA-N 0 1 386.496 3.182 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000192346664 1432834775 /nfs/dbraw/zinc/83/47/75/1432834775.db2.gz OGILCQQNXPOTRZ-VQIMIIECSA-N 0 1 395.503 3.119 20 0 GGADMN COc1ccc(CNC(=O)[C@@H](C)N[C@H]2CCCc3c(O)cccc32)cc1OC ZINC000192349167 1432834908 /nfs/dbraw/zinc/83/49/08/1432834908.db2.gz LSVNHBUBFUSQCZ-KDOFPFPSSA-N 0 1 384.476 3.081 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H]3CCCc4c(O)cccc43)C2=O)c1 ZINC000192350813 1432835199 /nfs/dbraw/zinc/83/51/99/1432835199.db2.gz ZZLYHQVWUIUCGZ-WOJBJXKFSA-N 0 1 382.460 3.182 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CCCc4c(O)cccc43)C2=O)c1 ZINC000192350807 1432835237 /nfs/dbraw/zinc/83/52/37/1432835237.db2.gz ZZLYHQVWUIUCGZ-UXHICEINSA-N 0 1 382.460 3.182 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cncc(Cl)n1 ZINC000192351204 1432835268 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GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccccc1OC(F)(F)F ZINC000192759960 1432885866 /nfs/dbraw/zinc/88/58/66/1432885866.db2.gz WOFNWIVRZGVLAG-UHFFFAOYSA-N 0 1 395.362 3.223 20 0 GGADMN CNC(=O)c1cccc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000192795364 1432892090 /nfs/dbraw/zinc/89/20/90/1432892090.db2.gz UABWASCWTUPMLG-IBGZPJMESA-N 0 1 396.491 3.013 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)n[nH]2)cc1 ZINC000192800235 1432892519 /nfs/dbraw/zinc/89/25/19/1432892519.db2.gz HVGHVEUGFZYXSK-QGZVFWFLSA-N 0 1 386.459 3.448 20 0 GGADMN CCCNC(=O)C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000192839132 1432897294 /nfs/dbraw/zinc/89/72/94/1432897294.db2.gz BWNJQUSZHZKSDK-ROUUACIJSA-N 0 1 399.579 3.369 20 0 GGADMN CC[C@@]1(C)NC(=O)N(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1=O ZINC000192845127 1432898116 /nfs/dbraw/zinc/89/81/16/1432898116.db2.gz AYQRLERRGFTSRN-QGZVFWFLSA-N 0 1 392.868 3.137 20 0 GGADMN C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)[C@@H](c1ccccc1)N(C)C ZINC000192862892 1432900490 /nfs/dbraw/zinc/90/04/90/1432900490.db2.gz FTTHOGKIAYJTNF-SJCJKPOMSA-N 0 1 392.912 3.186 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCC2=CCCCC2)N(C)C)cc1OC ZINC000192867608 1432901025 /nfs/dbraw/zinc/90/10/25/1432901025.db2.gz MEMWISCVKLZDRA-SFHVURJKSA-N 0 1 375.513 3.496 20 0 GGADMN CCCCNC(=O)C1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000192869388 1432901310 /nfs/dbraw/zinc/90/13/10/1432901310.db2.gz KHIYUKDMQMWNAK-SJLPKXTDSA-N 0 1 391.581 3.428 20 0 GGADMN O=C(OCc1ccccc1)N1CCC(NCc2nncn2-c2ccccc2)CC1 ZINC000192875933 1432901815 /nfs/dbraw/zinc/90/18/15/1432901815.db2.gz VMMPECYTTHDHPD-UHFFFAOYSA-N 0 1 391.475 3.158 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)C(=O)NCCOc2cccc(C)c2)c1 ZINC000192877180 1432902066 /nfs/dbraw/zinc/90/20/66/1432902066.db2.gz IYQWYZMJUSJAFL-DLBZAZTESA-N 0 1 383.492 3.188 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)C(=O)NCCOc2cccc(C)c2)c1 ZINC000192877205 1432902123 /nfs/dbraw/zinc/90/21/23/1432902123.db2.gz IYQWYZMJUSJAFL-IAGOWNOFSA-N 0 1 383.492 3.188 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)NCCOc2cccc(C)c2)c1 ZINC000192877192 1432902137 /nfs/dbraw/zinc/90/21/37/1432902137.db2.gz IYQWYZMJUSJAFL-IRXDYDNUSA-N 0 1 383.492 3.188 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)NCCOc2cccc(C)c2)c1 ZINC000192877215 1432902157 /nfs/dbraw/zinc/90/21/57/1432902157.db2.gz IYQWYZMJUSJAFL-SJORKVTESA-N 0 1 383.492 3.188 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000192877234 1432902186 /nfs/dbraw/zinc/90/21/86/1432902186.db2.gz DUAFKSJHTAFORR-AUSJPIAWSA-N 0 1 381.476 3.324 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)NCc1ccccc1CN1CCCC1=O)c1ccccc1 ZINC000192879811 1432902357 /nfs/dbraw/zinc/90/23/57/1432902357.db2.gz JJFBIGOUFBWWHP-MOPGFXCFSA-N 0 1 393.531 3.207 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(N3CCCC3)ccn2)N2CCCC2)c1 ZINC000192879837 1432902407 /nfs/dbraw/zinc/90/24/07/1432902407.db2.gz VWMKPMWUKDGNRT-QFIPXVFZSA-N 0 1 394.519 3.257 20 0 GGADMN C[C@@H](NCc1ccccc1CN1CCCC1=O)C(=O)NCCC1=CCCCC1 ZINC000192879918 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C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)NCCc1ccc(F)cc1 ZINC000192947519 1432911663 /nfs/dbraw/zinc/91/16/63/1432911663.db2.gz ZSHHWVAEYNFBRW-GFCCVEGCSA-N 0 1 386.452 3.156 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)N(C)Cc1cccc(F)c1 ZINC000192949374 1432911673 /nfs/dbraw/zinc/91/16/73/1432911673.db2.gz LSDYMXFROSSHNO-GFCCVEGCSA-N 0 1 386.452 3.456 20 0 GGADMN O=S(=O)(c1ccc(CSc2nc(-c3ccccc3O)n[nH]2)cc1)C(F)F ZINC000192951591 1432911992 /nfs/dbraw/zinc/91/19/92/1432911992.db2.gz CZJLZJZLXKCBHZ-UHFFFAOYSA-N 0 1 397.428 3.466 20 0 GGADMN C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1cccnc1Cl ZINC000192950765 1432912016 /nfs/dbraw/zinc/91/20/16/1432912016.db2.gz WPPWHAIURVWYBH-VIFPVBQESA-N 0 1 375.841 3.345 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)N1CCc2sccc2C1 ZINC000192952954 1432912395 /nfs/dbraw/zinc/91/23/95/1432912395.db2.gz HOYMAOFKHCZCCB-LLVKDONJSA-N 0 1 386.502 3.304 20 0 GGADMN O=C(NC[C@@H](O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000192953576 1432912480 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COc1ccccc1[C@H](CNC(=O)NC[C@H](O)c1ccc(C)cc1)N1CCCC1 ZINC000192991732 1432918329 /nfs/dbraw/zinc/91/83/29/1432918329.db2.gz YGWISYWCTLZAPZ-SFTDATJTSA-N 0 1 397.519 3.173 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@H](O)c1ccc(C)cc1)N1CCCC1 ZINC000192991747 1432918491 /nfs/dbraw/zinc/91/84/91/1432918491.db2.gz YGWISYWCTLZAPZ-NHCUHLMSSA-N 0 1 397.519 3.173 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000192995557 1432918947 /nfs/dbraw/zinc/91/89/47/1432918947.db2.gz WRKMHRUPRSLIAD-IBGZPJMESA-N 0 1 385.552 3.148 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000192997228 1432919227 /nfs/dbraw/zinc/91/92/27/1432919227.db2.gz GPPKXWDUAZDXNG-RBUKOAKNSA-N 0 1 385.552 3.285 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000192999110 1432919578 /nfs/dbraw/zinc/91/95/78/1432919578.db2.gz LTQTUXVDNGNCLC-UHFFFAOYSA-N 0 1 378.398 3.348 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCC1 ZINC000193004634 1432920851 /nfs/dbraw/zinc/92/08/51/1432920851.db2.gz YNCVHDJKNWIZPA-GOSISDBHSA-N 0 1 399.491 3.341 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCC1 ZINC000193006666 1432921145 /nfs/dbraw/zinc/92/11/45/1432921145.db2.gz SLOABWJRVYOWCL-QGZVFWFLSA-N 0 1 399.495 3.285 20 0 GGADMN COc1ccccc1Nc1ccccc1C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000193007099 1432921437 /nfs/dbraw/zinc/92/14/37/1432921437.db2.gz MMNOEQIVMNZEHV-QGZVFWFLSA-N 0 1 397.519 3.356 20 0 GGADMN COc1ccccc1Nc1ccccc1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000193007113 1432921465 /nfs/dbraw/zinc/92/14/65/1432921465.db2.gz MMNOEQIVMNZEHV-KRWDZBQOSA-N 0 1 397.519 3.356 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000193007002 1432921554 /nfs/dbraw/zinc/92/15/54/1432921554.db2.gz LJWKXMBVYVHDEU-KRWDZBQOSA-N 0 1 399.495 3.285 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)CSc2nc(O)cc(=O)n2C2CCCC2)[C@@H]1C ZINC000193037401 1432925887 /nfs/dbraw/zinc/92/58/87/1432925887.db2.gz MHPLFWQZVIRFOB-NFAWXSAZSA-N 0 1 379.526 3.097 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)N1CCCc2ccccc21 ZINC000193037338 1432925892 /nfs/dbraw/zinc/92/58/92/1432925892.db2.gz CDXUBFSFIRKXFO-UHFFFAOYSA-N 0 1 385.489 3.136 20 0 GGADMN COc1c(C)ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1C ZINC000193066413 1432931039 /nfs/dbraw/zinc/93/10/39/1432931039.db2.gz VBMSRFHYQVYMKE-FQEVSTJZSA-N 0 1 395.503 3.204 20 0 GGADMN O=C(Nc1cccc2cccnc21)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193066326 1432931157 /nfs/dbraw/zinc/93/11/57/1432931157.db2.gz AVARWZGRYMXHLJ-FQEVSTJZSA-N 0 1 388.471 3.127 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(CCO)Cc2ccccc2)N2CCCC2)cc1 ZINC000193091952 1432935080 /nfs/dbraw/zinc/93/50/80/1432935080.db2.gz YJHNRIKWWSVMHL-JOCHJYFZSA-N 0 1 397.519 3.036 20 0 GGADMN O=C(CCCNC(=O)C1CC1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000193100933 1432935870 /nfs/dbraw/zinc/93/58/70/1432935870.db2.gz AYYHVYYBCKQVMH-NRFANRHFSA-N 0 1 376.460 3.075 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccncc2)N(C)C)cc1OC ZINC000193102518 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0 GGADMN COc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000193141571 1432943534 /nfs/dbraw/zinc/94/35/34/1432943534.db2.gz SGPBODCJCHOOED-LJQANCHMSA-N 0 1 395.503 3.204 20 0 GGADMN COCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000193141273 1432943687 /nfs/dbraw/zinc/94/36/87/1432943687.db2.gz RFGNQXYZNLIWAE-LJQANCHMSA-N 0 1 392.459 3.320 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000193147758 1432945312 /nfs/dbraw/zinc/94/53/12/1432945312.db2.gz YHCLEBHLLDREEV-AWEZNQCLSA-N 0 1 384.459 3.344 20 0 GGADMN CSc1ccc(NC(=O)CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000193150541 1432945507 /nfs/dbraw/zinc/94/55/07/1432945507.db2.gz RRNVWGLSLDQYNV-HXUWFJFHSA-N 0 1 385.533 3.010 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCc3c2cc(F)cc3F)N(C)C)c1 ZINC000193172322 1432950197 /nfs/dbraw/zinc/95/01/97/1432950197.db2.gz VDBOKOUKUJNOJK-LJQANCHMSA-N 0 1 375.419 3.348 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)s3)cn2)CC1 ZINC000193182444 1432952641 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0 GGADMN O=C(Cn1c(=O)oc2ccccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000193200085 1432957044 /nfs/dbraw/zinc/95/70/44/1432957044.db2.gz KVOGGERADBZWCR-JOCHJYFZSA-N 0 1 398.422 3.377 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2cnc(-c3ccco3)s2)cc1 ZINC000193210809 1432958431 /nfs/dbraw/zinc/95/84/31/1432958431.db2.gz RPHXEFTWRLFFSV-UHFFFAOYSA-N 0 1 389.502 3.233 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CNCc2cnc(-c3ccco3)s2)c1 ZINC000193211071 1432959086 /nfs/dbraw/zinc/95/90/86/1432959086.db2.gz NPFQVSBJMLJAAT-UHFFFAOYSA-N 0 1 389.502 3.233 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(O)ccc1C(F)(F)F ZINC000193215068 1432959973 /nfs/dbraw/zinc/95/99/73/1432959973.db2.gz XWNWLJZEVLNWDC-UHFFFAOYSA-N 0 1 379.382 3.200 20 0 GGADMN O=c1[nH]c(CN2CCN(Cc3csc4ccccc34)CC2)nc2ccccc21 ZINC000193230335 1432963188 /nfs/dbraw/zinc/96/31/88/1432963188.db2.gz HIXKNAUXQIDERF-UHFFFAOYSA-N 0 1 390.512 3.456 20 0 GGADMN CCN1CCC[C@H]1CNC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000193235332 1432964503 /nfs/dbraw/zinc/96/45/03/1432964503.db2.gz GKHKHLGCWFXVJO-HNNXBMFYSA-N 0 1 377.485 3.384 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccc(SC(F)F)cc1)N1CCN(C)CC1 ZINC000193235601 1432964637 /nfs/dbraw/zinc/96/46/37/1432964637.db2.gz IYWYJPKZPOPEJB-INIZCTEOSA-N 0 1 386.512 3.395 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000193240433 1432965757 /nfs/dbraw/zinc/96/57/57/1432965757.db2.gz QNZHLTRBLFSOGX-ZDUSSCGKSA-N 0 1 385.464 3.434 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2c3ccccc3C[C@H]2C)N(C)C)cc1OC ZINC000193245874 1432966757 /nfs/dbraw/zinc/96/67/57/1432966757.db2.gz KXWUCSMVZYMEIZ-BEFAXECRSA-N 0 1 383.492 3.467 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000193326522 1432979717 /nfs/dbraw/zinc/97/97/17/1432979717.db2.gz KZUMRNIDBHRWDQ-SFHVURJKSA-N 0 1 391.515 3.427 20 0 GGADMN Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C)nc2Cl)c1 ZINC000193324362 1432979735 /nfs/dbraw/zinc/97/97/35/1432979735.db2.gz QEVIRYXDXYOCHE-UHFFFAOYSA-N 0 1 376.869 3.397 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2F)N(C)C)cc1OC ZINC000193330214 1432980623 /nfs/dbraw/zinc/98/06/23/1432980623.db2.gz FVWWWQUUDDMDOD-INIZCTEOSA-N 0 1 379.407 3.406 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2)c(Cl)n1 ZINC000193330502 1432980638 /nfs/dbraw/zinc/98/06/38/1432980638.db2.gz IEWOHMMPKUSIBO-UHFFFAOYSA-N 0 1 383.926 3.397 20 0 GGADMN C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000193341436 1432982438 /nfs/dbraw/zinc/98/24/38/1432982438.db2.gz OTPHDEHAAGDRIK-IRXDYDNUSA-N 0 1 385.533 3.146 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000193346370 1432983511 /nfs/dbraw/zinc/98/35/11/1432983511.db2.gz XRHVLSAEWHNMQW-FQEVSTJZSA-N 0 1 390.487 3.229 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193346357 1432983586 /nfs/dbraw/zinc/98/35/86/1432983586.db2.gz XRHVLSAEWHNMQW-HXUWFJFHSA-N 0 1 390.487 3.229 20 0 GGADMN CCO[C@H](CNC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)c1ccccc1 ZINC000193347200 1432983859 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O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccccc1OCC1CC1 ZINC000194792691 1433233642 /nfs/dbraw/zinc/23/36/42/1433233642.db2.gz YYZCOGYVIJAJDF-UHFFFAOYSA-N 0 1 381.457 3.113 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC1(SC)CCC1)N1CCCC1 ZINC000194808845 1433237568 /nfs/dbraw/zinc/23/75/68/1433237568.db2.gz LUDLSQRTCXFMNT-KRWDZBQOSA-N 0 1 377.554 3.417 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC1(SC)CCC1)N1CCCC1 ZINC000194808826 1433237584 /nfs/dbraw/zinc/23/75/84/1433237584.db2.gz LUDLSQRTCXFMNT-QGZVFWFLSA-N 0 1 377.554 3.417 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)NCCN(C)Cc2ccc(F)cc2)c1C ZINC000194816984 1433239245 /nfs/dbraw/zinc/23/92/45/1433239245.db2.gz UHYDJDQMRUKNRI-UHFFFAOYSA-N 0 1 396.466 3.190 20 0 GGADMN Cc1cccnc1C(F)(F)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000194820086 1433240181 /nfs/dbraw/zinc/24/01/81/1433240181.db2.gz MHOCPONXWSHJMQ-UHFFFAOYSA-N 0 1 375.419 3.077 20 0 GGADMN CC(C)(NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(F)c(F)c1 ZINC000194827533 1433242070 /nfs/dbraw/zinc/24/20/70/1433242070.db2.gz SBRYXAFUYWPBPU-UHFFFAOYSA-N 0 1 389.427 3.015 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000194828806 1433242631 /nfs/dbraw/zinc/24/26/31/1433242631.db2.gz OHKXCXZVSOJHMA-UHFFFAOYSA-N 0 1 389.864 3.376 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000194840722 1433245749 /nfs/dbraw/zinc/24/57/49/1433245749.db2.gz WEODSUYBFVAEKR-JQHSSLGASA-N 0 1 393.915 3.118 20 0 GGADMN C[C@@H](CN1CCCCC1)NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000194845556 1433246856 /nfs/dbraw/zinc/24/68/56/1433246856.db2.gz GBDDMPDIKGOYKM-INIZCTEOSA-N 0 1 375.488 3.304 20 0 GGADMN COCCN1CCN(c2nc(COC)nc3scc(-c4ccccc4)c32)CC1 ZINC000194845313 1433247022 /nfs/dbraw/zinc/24/70/22/1433247022.db2.gz GWCJFHDKODNBRB-UHFFFAOYSA-N 0 1 398.532 3.273 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CCN([C@@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000194858890 1433249997 /nfs/dbraw/zinc/24/99/97/1433249997.db2.gz GNLWAKLRNFTBSU-HRAATJIYSA-N 0 1 376.497 3.324 20 0 GGADMN C[C@@H](NC(=O)c1cc(Cl)cn1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000194859433 1433250691 /nfs/dbraw/zinc/25/06/91/1433250691.db2.gz CUHNWPBBZCYKEL-CYBMUJFWSA-N 0 1 378.879 3.060 20 0 GGADMN CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000194865032 1433251699 /nfs/dbraw/zinc/25/16/99/1433251699.db2.gz OAYUKIUEKABWEO-FQEVSTJZSA-N 0 1 395.503 3.147 20 0 GGADMN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000194867067 1433252295 /nfs/dbraw/zinc/25/22/95/1433252295.db2.gz PRWHMFMKILSNEK-UHFFFAOYSA-N 0 1 393.278 3.145 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000194873404 1433253699 /nfs/dbraw/zinc/25/36/99/1433253699.db2.gz CMKDNWWCFHKNMW-QFIPXVFZSA-N 0 1 387.524 3.137 20 0 GGADMN COCc1ccccc1CNC(=O)CN1CCC(c2cccc(OC)c2)CC1 ZINC000194875295 1433254314 /nfs/dbraw/zinc/25/43/14/1433254314.db2.gz FDLRLOGRJONZIP-UHFFFAOYSA-N 0 1 382.504 3.337 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000194877002 1433254328 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/nfs/dbraw/zinc/27/29/79/1433272979.db2.gz BYHCCZTXVIYYFU-PZJWPPBQSA-N 0 1 377.492 3.329 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1cccc(C(F)(F)F)c1 ZINC000194964171 1433273319 /nfs/dbraw/zinc/27/33/19/1433273319.db2.gz RAKUFXAZQYDRBL-UHFFFAOYSA-N 0 1 393.390 3.020 20 0 GGADMN COc1cccc([C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)N2CCCC2)c1 ZINC000194962603 1433273327 /nfs/dbraw/zinc/27/33/27/1433273327.db2.gz MCIDRVWNPJSKDR-LEWJYISDSA-N 0 1 377.492 3.329 20 0 GGADMN COc1ccc([C@@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)N2CCCC2)cc1 ZINC000194964496 1433273471 /nfs/dbraw/zinc/27/34/71/1433273471.db2.gz LXXOVNVOAXHQTE-NHCUHLMSSA-N 0 1 377.492 3.329 20 0 GGADMN CCCCc1nc2ccc(NC(=O)CCCS(=O)(=O)N3CCCC3)cc2[nH]1 ZINC000194967396 1433273981 /nfs/dbraw/zinc/27/39/81/1433273981.db2.gz HKBHACALFURXHP-UHFFFAOYSA-N 0 1 392.525 3.050 20 0 GGADMN CSC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000194969132 1433274514 /nfs/dbraw/zinc/27/45/14/1433274514.db2.gz XDYAAQAVZUYHHP-HNNXBMFYSA-N 0 1 387.471 3.475 20 0 GGADMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000194973318 1433275055 /nfs/dbraw/zinc/27/50/55/1433275055.db2.gz KAGZMXOJNXLYLX-GJZGRUSLSA-N 0 1 392.521 3.366 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CN[C@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@@H](C)O1 ZINC000194973559 1433275211 /nfs/dbraw/zinc/27/52/11/1433275211.db2.gz FGCSLRRCFMZCAU-HMFYCAOWSA-N 0 1 391.519 3.293 20 0 GGADMN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1cccc(F)c1 ZINC000194987307 1433277003 /nfs/dbraw/zinc/27/70/03/1433277003.db2.gz LWRYRKCFFKGIFQ-UHFFFAOYSA-N 0 1 381.429 3.115 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000194997870 1433278570 /nfs/dbraw/zinc/27/85/70/1433278570.db2.gz CTBXQFVNUPLWKT-LBPRGKRZSA-N 0 1 376.482 3.125 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n[nH]2)cc1 ZINC000194997482 1433278628 /nfs/dbraw/zinc/27/86/28/1433278628.db2.gz FJPPHTRCXDNFGS-HNNXBMFYSA-N 0 1 384.480 3.372 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000194997879 1433278776 /nfs/dbraw/zinc/27/87/76/1433278776.db2.gz CTBXQFVNUPLWKT-GFCCVEGCSA-N 0 1 376.482 3.125 20 0 GGADMN COc1ccc(C2(CN[C@H](c3ncc[nH]3)c3cccnc3)CCOCC2)cc1 ZINC000194999127 1433278792 /nfs/dbraw/zinc/27/87/92/1433278792.db2.gz HKYNFUXZSWKTJL-FQEVSTJZSA-N 0 1 378.476 3.241 20 0 GGADMN COc1cccc(C)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000194999279 1433278901 /nfs/dbraw/zinc/27/89/01/1433278901.db2.gz BNMRYZUWGHEUTC-RTBURBONSA-N 0 1 383.492 3.008 20 0 GGADMN COc1cccc(C)c1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000194999290 1433278909 /nfs/dbraw/zinc/27/89/09/1433278909.db2.gz BNMRYZUWGHEUTC-MOPGFXCFSA-N 0 1 383.492 3.008 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2CN[C@H](c2ncc[nH]2)c2cccnc2)C[C@H](C)O1 ZINC000195006263 1433279733 /nfs/dbraw/zinc/27/97/33/1433279733.db2.gz ZINOJAGXZOEAQS-SVMVAKDDSA-N 0 1 391.519 3.293 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)Nc2cc(C)cc(C)c2)[nH]c1-c1ccccc1 ZINC000195061397 1433286978 /nfs/dbraw/zinc/28/69/78/1433286978.db2.gz ZGMQMYJUERTBOW-UHFFFAOYSA-N 0 1 383.473 3.414 20 0 GGADMN C[C@@H](c1cccc(Cl)c1)S(=O)(=O)C1N=NC(=O)N1CCc1ccccc1 ZINC000195063369 1433287259 /nfs/dbraw/zinc/28/72/59/1433287259.db2.gz GJJWEKHLHBMTEU-ZDUSSCGKSA-N 0 1 391.880 3.415 20 0 GGADMN C[C@H](c1cccc(Cl)c1)S(=O)(=O)C1N=NC(=O)N1CCc1ccccc1 ZINC000195063384 1433287307 /nfs/dbraw/zinc/28/73/07/1433287307.db2.gz GJJWEKHLHBMTEU-CYBMUJFWSA-N 0 1 391.880 3.415 20 0 GGADMN CN(C)C(=O)c1ccc(NCc2c(Cl)cccc2N2CCN(C)CC2)cc1 ZINC000195062725 1433287339 /nfs/dbraw/zinc/28/73/39/1433287339.db2.gz HQQXDCVKJGFRER-UHFFFAOYSA-N 0 1 386.927 3.406 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccco1 ZINC000195073179 1433288721 /nfs/dbraw/zinc/28/87/21/1433288721.db2.gz ASYJBBFQTZOXMF-CABCVRRESA-N 0 1 375.435 3.053 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C1CCN(c2ccc(C)cn2)CC1)c1ccco1 ZINC000195073264 1433288745 /nfs/dbraw/zinc/28/87/45/1433288745.db2.gz NBWVTNXWPXNTCH-IBGZPJMESA-N 0 1 384.524 3.399 20 0 GGADMN 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395.912 3.453 20 0 GGADMN CCC[C@@H](NCc1cccc2c1OCCO2)C(=O)N1CCc2sccc2C1 ZINC000236918896 1433383228 /nfs/dbraw/zinc/38/32/28/1433383228.db2.gz UXZCMVSSBSMHOG-QGZVFWFLSA-N 0 1 386.517 3.363 20 0 GGADMN CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000236927501 1433383565 /nfs/dbraw/zinc/38/35/65/1433383565.db2.gz CNOYWAMQZZJGMC-GTNSWQLSSA-N 0 1 397.447 3.078 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000236959438 1433383937 /nfs/dbraw/zinc/38/39/37/1433383937.db2.gz UDBCKBAVMMZODF-ORAYPTAESA-N 0 1 378.469 3.278 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000236959438 1433383939 /nfs/dbraw/zinc/38/39/39/1433383939.db2.gz UDBCKBAVMMZODF-ORAYPTAESA-N 0 1 378.469 3.278 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000236958257 1433383957 /nfs/dbraw/zinc/38/39/57/1433383957.db2.gz DTCVKABZPWNATK-ZDUSSCGKSA-N 0 1 378.856 3.401 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000236958257 1433383960 /nfs/dbraw/zinc/38/39/60/1433383960.db2.gz DTCVKABZPWNATK-ZDUSSCGKSA-N 0 1 378.856 3.401 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CC2 ZINC000236960541 1433383976 /nfs/dbraw/zinc/38/39/76/1433383976.db2.gz YATJTBBVGPYTFA-FQEVSTJZSA-N 0 1 380.488 3.083 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(CN)o2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000236956500 1433384064 /nfs/dbraw/zinc/38/40/64/1433384064.db2.gz ZQLXBZJDANDDRT-QZTJIDSGSA-N 0 1 399.491 3.390 20 0 GGADMN CCNC(=O)c1cccc(CNCc2cc(Br)c(O)c(OC)c2)c1 ZINC000236967106 1433384292 /nfs/dbraw/zinc/38/42/92/1433384292.db2.gz YGYFTGWUBPPUBG-UHFFFAOYSA-N 0 1 393.281 3.203 20 0 GGADMN CC[C@@H](CNC(=O)c1cc(Cl)c(N)cc1OC)N1CCc2ccccc2C1 ZINC000236975876 1433384601 /nfs/dbraw/zinc/38/46/01/1433384601.db2.gz GHXMXFTXIWGLPF-INIZCTEOSA-N 0 1 387.911 3.498 20 0 GGADMN CCN(Cc1ccccc1C)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000236975473 1433384639 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CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C(=O)c1ccc(CN)o1 ZINC000237066643 1433387695 /nfs/dbraw/zinc/38/76/95/1433387695.db2.gz ZQLXBZJDANDDRT-MSOLQXFVSA-N 0 1 399.491 3.390 20 0 GGADMN CCOc1cc(CNC(=O)[C@@H]2NCCc3ccccc32)ccc1OC(F)F ZINC000237071726 1433388039 /nfs/dbraw/zinc/38/80/39/1433388039.db2.gz ZFEMYMSROWWMSL-GOSISDBHSA-N 0 1 376.403 3.190 20 0 GGADMN C[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000237076512 1433388238 /nfs/dbraw/zinc/38/82/38/1433388238.db2.gz HLACWFUQBWYXNW-ZDUSSCGKSA-N 0 1 395.912 3.243 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2CCN(c3ccccc3Br)C2)o1 ZINC000237108899 1433389263 /nfs/dbraw/zinc/38/92/63/1433389263.db2.gz WWVBNECSDZRRJH-GFCCVEGCSA-N 0 1 379.254 3.197 20 0 GGADMN COC(=O)c1ccc(CNCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000237104490 1433389296 /nfs/dbraw/zinc/38/92/96/1433389296.db2.gz QTPVIPCZYKWMMH-UHFFFAOYSA-N 0 1 378.428 3.286 20 0 GGADMN COC(=O)c1ccc(CN[C@H]2CCN(c3ccccc3Br)C2)o1 ZINC000237111418 1433389467 /nfs/dbraw/zinc/38/94/67/1433389467.db2.gz WWVBNECSDZRRJH-LBPRGKRZSA-N 0 1 379.254 3.197 20 0 GGADMN COc1cc(CNCc2ccccc2OC(C)C)cc(Cl)c1OCC(N)=O ZINC000237122963 1433389910 /nfs/dbraw/zinc/38/99/10/1433389910.db2.gz GWOFVHZOJGHXGW-UHFFFAOYSA-N 0 1 392.883 3.290 20 0 GGADMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H]1NCCc2ccccc21 ZINC000237120831 1433390035 /nfs/dbraw/zinc/39/00/35/1433390035.db2.gz HBHRPFQVFWRNDE-JOCHJYFZSA-N 0 1 392.478 3.494 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C)c1nnc2ccccn21 ZINC000237150484 1433390964 /nfs/dbraw/zinc/39/09/64/1433390964.db2.gz OEORZBMARGFGNZ-QWHCGFSZSA-N 0 1 387.871 3.459 20 0 GGADMN COC(=O)CCSCc1cccc(NC(=O)[C@H]2NCCc3ccccc32)c1 ZINC000237160525 1433391208 /nfs/dbraw/zinc/39/12/08/1433391208.db2.gz VNAMHRGOQYCYJR-FQEVSTJZSA-N 0 1 384.501 3.308 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000237177612 1433391732 /nfs/dbraw/zinc/39/17/32/1433391732.db2.gz LKCHUOKPQNUCEK-LLVKDONJSA-N 0 1 396.846 3.211 20 0 GGADMN COc1ccc(C)cc1C1(CNC(=O)[C@@H]2NCCc3ccccc32)CCOCC1 ZINC000237187807 1433391976 /nfs/dbraw/zinc/39/19/76/1433391976.db2.gz OVXBOMZDBDLBRP-JOCHJYFZSA-N 0 1 394.515 3.055 20 0 GGADMN COCCNCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000237240692 1433393864 /nfs/dbraw/zinc/39/38/64/1433393864.db2.gz QCZDMNMJFFEEMZ-UHFFFAOYSA-N 0 1 395.381 3.132 20 0 GGADMN COCCNCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000237250400 1433394125 /nfs/dbraw/zinc/39/41/25/1433394125.db2.gz FOAMJIYDJPLFTJ-UHFFFAOYSA-N 0 1 387.333 3.206 20 0 GGADMN COCCNCC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000237255891 1433394512 /nfs/dbraw/zinc/39/45/12/1433394512.db2.gz PHGVVECJPVRKDD-UHFFFAOYSA-N 0 1 395.381 3.132 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1OCc1cccnc1 ZINC000237316617 1433396853 /nfs/dbraw/zinc/39/68/53/1433396853.db2.gz CNNZVWCAZTYAHE-FQEVSTJZSA-N 0 1 389.455 3.322 20 0 GGADMN COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1OCc1ccncc1 ZINC000237320510 1433397080 /nfs/dbraw/zinc/39/70/80/1433397080.db2.gz WIBHWOAJFNPRFX-HXUWFJFHSA-N 0 1 389.455 3.322 20 0 GGADMN COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1OCc1ccncc1 ZINC000237332014 1433397682 /nfs/dbraw/zinc/39/76/82/1433397682.db2.gz DQWHUMAELHNUHL-IBGZPJMESA-N 0 1 377.444 3.178 20 0 GGADMN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1nnc2ccccn21 ZINC000237333110 1433397700 /nfs/dbraw/zinc/39/77/00/1433397700.db2.gz OAFMYLRHWHNTCD-LBPRGKRZSA-N 0 1 377.370 3.255 20 0 GGADMN COc1cccc([C@H](O)CNCc2cc(OC)c(OC)cc2Br)c1 ZINC000237333282 1433397706 /nfs/dbraw/zinc/39/77/06/1433397706.db2.gz HCEOOSUXZKQSHP-MRXNPFEDSA-N 0 1 396.281 3.298 20 0 GGADMN COc1ccc([C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])N2CCOCC2)cc1 ZINC000237334180 1433397993 /nfs/dbraw/zinc/39/79/93/1433397993.db2.gz WFLCRQFJXVEJKK-IBGZPJMESA-N 0 1 376.884 3.217 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(Cl)c(F)c3)C2=O)c1 ZINC000237353954 1433398735 /nfs/dbraw/zinc/39/87/35/1433398735.db2.gz OOCCNQGSKGGCHS-SFHVURJKSA-N 0 1 378.831 3.391 20 0 GGADMN COc1cc2c(c(CNC[C@@H]3CN(Cc4ccccc4)CCO3)c1)O[C@@H](C)C2 ZINC000237401508 1433400739 /nfs/dbraw/zinc/40/07/39/1433400739.db2.gz KGPQJRHUIWSZME-HTAPYJJXSA-N 0 1 382.504 3.009 20 0 GGADMN COc1cc2c(c(CN[C@@H](CN3CCOCC3)c3ccccc3)c1)O[C@H](C)C2 ZINC000237424005 1433402302 /nfs/dbraw/zinc/40/23/02/1433402302.db2.gz NYRWEDFHPYPFPB-VGSWGCGISA-N 0 1 382.504 3.182 20 0 GGADMN COc1ccc(OC)c(-c2csc(NC(=O)[C@H](N)Cc3ccccc3)n2)c1 ZINC000237422301 1433402499 /nfs/dbraw/zinc/40/24/99/1433402499.db2.gz NEOVKBDJGKOAEK-MRXNPFEDSA-N 0 1 383.473 3.336 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000237437555 1433403292 /nfs/dbraw/zinc/40/32/92/1433403292.db2.gz DCKGEPIOQZKRPE-CYBMUJFWSA-N 0 1 398.429 3.315 20 0 GGADMN C[C@@H]1CNCCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000237456035 1433403900 /nfs/dbraw/zinc/40/39/00/1433403900.db2.gz YBAOVRCMNMQFGU-GFCCVEGCSA-N 0 1 376.254 3.070 20 0 GGADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCc1nc2ccccc2n1C ZINC000237475014 1433404957 /nfs/dbraw/zinc/40/49/57/1433404957.db2.gz AXTOTAXADJQLFW-YOEHRIQHSA-N 0 1 388.512 3.423 20 0 GGADMN C[C@H](NC(=O)[C@H]1NCCc2ccccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237540475 1433408459 /nfs/dbraw/zinc/40/84/59/1433408459.db2.gz PJVNQYSOZQIDKV-SJCJKPOMSA-N 0 1 382.851 3.454 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3NCCc4ccccc43)cc2F)C[C@H](C)O1 ZINC000237550508 1433408798 /nfs/dbraw/zinc/40/87/98/1433408798.db2.gz VFBUYVSYVSGMTH-ZSDSOXJFSA-N 0 1 383.467 3.265 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000237554650 1433409269 /nfs/dbraw/zinc/40/92/69/1433409269.db2.gz INYMEZRKYWSYJX-ZDUSSCGKSA-N 0 1 382.430 3.435 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCNC(=O)C(C)(C)C ZINC000237610328 1433412798 /nfs/dbraw/zinc/41/27/98/1433412798.db2.gz VJFHEHWAYUXFPM-UHFFFAOYSA-N 0 1 380.895 3.284 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237632888 1433413720 /nfs/dbraw/zinc/41/37/20/1433413720.db2.gz CEEIOPXDRBUGNG-HZPDHXFCSA-N 0 1 387.505 3.252 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(S(C)(=O)=O)cc1 ZINC000237636621 1433414071 /nfs/dbraw/zinc/41/40/71/1433414071.db2.gz SCVSCMYUZMAMME-UHFFFAOYSA-N 0 1 383.517 3.242 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000237646457 1433414369 /nfs/dbraw/zinc/41/43/69/1433414369.db2.gz PZYFKSSDQMNMGF-MRXNPFEDSA-N 0 1 393.896 3.140 20 0 GGADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000237667503 1433415686 /nfs/dbraw/zinc/41/56/86/1433415686.db2.gz HZMFBOTZKKNCLR-IIBYNOLFSA-N 0 1 377.488 3.354 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H](N)c3ccccc3)C2)cc1 ZINC000237690357 1433416935 /nfs/dbraw/zinc/41/69/35/1433416935.db2.gz RRMHVXNYKUSWEN-FXAWDEMLSA-N 0 1 380.492 3.055 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H](N)c3ccccc3)C2)cc1 ZINC000237691337 1433417365 /nfs/dbraw/zinc/41/73/65/1433417365.db2.gz RRMHVXNYKUSWEN-XLIONFOSSA-N 0 1 380.492 3.055 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC(C)(C)[NH3+])ccc2C)c1 ZINC000237694836 1433417471 /nfs/dbraw/zinc/41/74/71/1433417471.db2.gz WQJHZYWVWVBKBX-UHFFFAOYSA-N 0 1 375.494 3.170 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H](N)c3ccccc3)C2)cc1 ZINC000237691734 1433417513 /nfs/dbraw/zinc/41/75/13/1433417513.db2.gz RRMHVXNYKUSWEN-YLJYHZDGSA-N 0 1 380.492 3.055 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000237704406 1433418292 /nfs/dbraw/zinc/41/82/92/1433418292.db2.gz LWSVOVNVIPVYOS-GOSISDBHSA-N 0 1 399.516 3.124 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000237747677 1433420797 /nfs/dbraw/zinc/42/07/97/1433420797.db2.gz SBFBEYVCFRUOOV-KRWDZBQOSA-N 0 1 393.896 3.221 20 0 GGADMN Cc1ccc(Sc2ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc2)c(C)c1 ZINC000237776135 1433423229 /nfs/dbraw/zinc/42/32/29/1433423229.db2.gz VPULNRVENFJZIU-KRWDZBQOSA-N 0 1 392.546 3.155 20 0 GGADMN Cc1ccc(Sc2ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc2)c(C)c1 ZINC000237776168 1433423407 /nfs/dbraw/zinc/42/34/07/1433423407.db2.gz VPULNRVENFJZIU-QGZVFWFLSA-N 0 1 392.546 3.155 20 0 GGADMN O=S(=O)(NCCNCc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000237791765 1433424369 /nfs/dbraw/zinc/42/43/69/1433424369.db2.gz RMFTXZFDSCFYGX-UHFFFAOYSA-N 0 1 392.427 3.293 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@@H]1NCCc2ccccc21 ZINC000237813402 1433425415 /nfs/dbraw/zinc/42/54/15/1433425415.db2.gz BOJCYRZRIITZKB-HXUWFJFHSA-N 0 1 384.907 3.391 20 0 GGADMN O=C([C@H]1CNCCO1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000237815870 1433425426 /nfs/dbraw/zinc/42/54/26/1433425426.db2.gz DRNCVZRWVMQJAK-GOSISDBHSA-N 0 1 394.393 3.445 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000237832072 1433427419 /nfs/dbraw/zinc/42/74/19/1433427419.db2.gz PWSLBQONUBBGLS-UHFFFAOYSA-N 0 1 394.924 3.297 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CCSc2c(F)cccc21 ZINC000237834034 1433427428 /nfs/dbraw/zinc/42/74/28/1433427428.db2.gz URPOOXZUGUXIPN-KRWDZBQOSA-N 0 1 376.501 3.031 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000237837562 1433427869 /nfs/dbraw/zinc/42/78/69/1433427869.db2.gz WBSUUGUNCALTPZ-QFIPXVFZSA-N 0 1 388.515 3.039 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCCSc1ccccc1 ZINC000237838493 1433427879 /nfs/dbraw/zinc/42/78/79/1433427879.db2.gz NJFJNEJYJJEWQQ-NRFANRHFSA-N 0 1 394.544 3.100 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000237844857 1433428182 /nfs/dbraw/zinc/42/81/82/1433428182.db2.gz XRZUVIOLKWFQTO-SFTDATJTSA-N 0 1 394.906 3.258 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](N)c3ccccc3)cc2)cc1 ZINC000237858680 1433429499 /nfs/dbraw/zinc/42/94/99/1433429499.db2.gz PQYAJASSONVORX-HXUWFJFHSA-N 0 1 395.484 3.434 20 0 GGADMN N[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000237863058 1433429969 /nfs/dbraw/zinc/42/99/69/1433429969.db2.gz QGLBKKQLZSYKKN-LJQANCHMSA-N 0 1 381.457 3.126 20 0 GGADMN N[C@@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1 ZINC000237866333 1433430057 /nfs/dbraw/zinc/43/00/57/1433430057.db2.gz GGRCAUDCUSOXHA-LJQANCHMSA-N 0 1 379.439 3.449 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H]2NCCc3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000237872327 1433430367 /nfs/dbraw/zinc/43/03/67/1433430367.db2.gz YSXJEQJEAYJPML-SIKLNZKXSA-N 0 1 380.488 3.056 20 0 GGADMN O=C(CNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)NCC(F)(F)F ZINC000237875072 1433430665 /nfs/dbraw/zinc/43/06/65/1433430665.db2.gz PTPBQCTYOYGTJJ-UHFFFAOYSA-N 0 1 399.800 3.360 20 0 GGADMN Cc1nn(C)c2ncc(CNCc3cccc(NC(=O)c4ccco4)c3)cc12 ZINC000237897587 1433432388 /nfs/dbraw/zinc/43/23/88/1433432388.db2.gz KCWPSXJRAALTPU-UHFFFAOYSA-N 0 1 375.432 3.412 20 0 GGADMN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1Cc2ccccc2CN1 ZINC000237896473 1433432499 /nfs/dbraw/zinc/43/24/99/1433432499.db2.gz RSHCKIKFYASUHC-FCHUYYIVSA-N 0 1 386.499 3.140 20 0 GGADMN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@@H]1Cc2ccccc2CN1 ZINC000237899869 1433432779 /nfs/dbraw/zinc/43/27/79/1433432779.db2.gz VVPYTYQRQFSBQG-FQEVSTJZSA-N 0 1 393.874 3.203 20 0 GGADMN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1NCCc2ccccc21 ZINC000237914579 1433434157 /nfs/dbraw/zinc/43/41/57/1433434157.db2.gz VWLYHJVKQQXDEU-NRFANRHFSA-N 0 1 387.487 3.497 20 0 GGADMN Cc1cn2c(CNCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)c(C)nc2s1 ZINC000237922734 1433434720 /nfs/dbraw/zinc/43/47/20/1433434720.db2.gz RKKMWQMUINGECE-SFHVURJKSA-N 0 1 398.532 3.211 20 0 GGADMN Cc1cn2c(CNCc3cccc(NC(=O)[C@@H]4CCCO4)c3)c(C)nc2s1 ZINC000237923486 1433435127 /nfs/dbraw/zinc/43/51/27/1433435127.db2.gz OHAVENMHCLWRMR-SFHVURJKSA-N 0 1 384.505 3.420 20 0 GGADMN N[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000238005837 1433438810 /nfs/dbraw/zinc/43/88/10/1433438810.db2.gz XVGYLCBRJNQVGK-HNNXBMFYSA-N 0 1 398.816 3.102 20 0 GGADMN [NH3+]CCCCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000238009392 1433439054 /nfs/dbraw/zinc/43/90/54/1433439054.db2.gz RDBJAZVMCUBLRO-UHFFFAOYSA-N 0 1 375.494 3.335 20 0 GGADMN N[C@H](C(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccccc1 ZINC000238007749 1433439152 /nfs/dbraw/zinc/43/91/52/1433439152.db2.gz VDFZXLIAUPXEDN-QFIPXVFZSA-N 0 1 391.515 3.116 20 0 GGADMN O[C@@H](CNCc1ccc(Br)cc1F)COc1ccc(F)c(F)c1 ZINC000238034466 1433440506 /nfs/dbraw/zinc/44/05/06/1433440506.db2.gz VYPXGQXVGKHNGP-LBPRGKRZSA-N 0 1 390.199 3.396 20 0 GGADMN O=C(CCNCc1csc(-c2ccc3c(c2)OCO3)n1)N1CCCCCC1 ZINC000238051751 1433441154 /nfs/dbraw/zinc/44/11/54/1433441154.db2.gz DYQXPUSJPJZNKO-UHFFFAOYSA-N 0 1 387.505 3.421 20 0 GGADMN O=C([C@@H]1NCCc2ccccc21)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000238052513 1433441175 /nfs/dbraw/zinc/44/11/75/1433441175.db2.gz VZBMPLKWTOJVQP-FDDCHVKYSA-N 0 1 389.499 3.016 20 0 GGADMN O=C(Nc1ccc(CNC(=O)[C@H]2NCCc3ccccc32)cc1)c1ccco1 ZINC000238063535 1433441470 /nfs/dbraw/zinc/44/14/70/1433441470.db2.gz SAWSMKRGPLUKNQ-FQEVSTJZSA-N 0 1 375.428 3.035 20 0 GGADMN O=C(NCC[NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(Br)cc1 ZINC000238066158 1433441767 /nfs/dbraw/zinc/44/17/67/1433441767.db2.gz WPHSYXNBNHXPBH-UHFFFAOYSA-N 0 1 383.673 3.328 20 0 GGADMN O=C(CCc1ccc(NC(=O)[C@H]2NCCc3ccccc32)cc1)N1CCCC1 ZINC000238088139 1433442528 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CCC[C@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)CCN1CCOC ZINC000245862535 1433529071 /nfs/dbraw/zinc/52/90/71/1433529071.db2.gz FPYLEDDVTQQEDF-PXNSSMCTSA-N 0 1 393.959 3.268 20 0 GGADMN C[C@H](CCCc1ccccc1)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245861659 1433529223 /nfs/dbraw/zinc/52/92/23/1433529223.db2.gz OZMJQFLMJQKJLT-UEVCKROQSA-N 0 1 380.532 3.397 20 0 GGADMN C[C@H](CCCc1ccccc1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245861659 1433529232 /nfs/dbraw/zinc/52/92/32/1433529232.db2.gz OZMJQFLMJQKJLT-UEVCKROQSA-N 0 1 380.532 3.397 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CCN1CCOC ZINC000245876949 1433532016 /nfs/dbraw/zinc/53/20/16/1433532016.db2.gz HQOPYPBVJXZTFJ-SJLPKXTDSA-N 0 1 381.948 3.408 20 0 GGADMN CC[C@H](NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCO1 ZINC000245882010 1433532952 /nfs/dbraw/zinc/53/29/52/1433532952.db2.gz IAYCJAJBRXYGAL-IDPBPBMLSA-N 0 1 389.540 3.053 20 0 GGADMN C[C@]1(O)CCCN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000245880743 1433533089 /nfs/dbraw/zinc/53/30/89/1433533089.db2.gz IBHPGEIVGFEGHA-YKSBVNFPSA-N 0 1 391.515 3.263 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@H](C)c2cnn(C)c2C)CC[N@H+]1Cc1ccccc1 ZINC000245883096 1433533241 /nfs/dbraw/zinc/53/32/41/1433533241.db2.gz LEPFHOPTHLEDEG-YLJYHZDGSA-N 0 1 383.540 3.486 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@H](C)c2cnn(C)c2C)CCN1Cc1ccccc1 ZINC000245883096 1433533246 /nfs/dbraw/zinc/53/32/46/1433533246.db2.gz LEPFHOPTHLEDEG-YLJYHZDGSA-N 0 1 383.540 3.486 20 0 GGADMN C[C@H](Cc1ccccc1Cl)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245888839 1433534444 /nfs/dbraw/zinc/53/44/44/1433534444.db2.gz OEVFXNBIXWWRAW-LSTHTHJFSA-N 0 1 386.923 3.270 20 0 GGADMN CN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245891651 1433535143 /nfs/dbraw/zinc/53/51/43/1433535143.db2.gz GAVFEZDMPNSAET-FUHWJXTLSA-N 0 1 375.513 3.005 20 0 GGADMN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245899306 1433537659 /nfs/dbraw/zinc/53/76/59/1433537659.db2.gz AJMGVBVWXSSSEQ-QFUCXCTJSA-N 0 1 388.556 3.357 20 0 GGADMN O=C(CCCc1ccc(F)c(F)c1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245900808 1433538553 /nfs/dbraw/zinc/53/85/53/1433538553.db2.gz PZBUIVJFXIFJHH-RBUKOAKNSA-N 0 1 388.458 3.039 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@H]1CCc2c1cccc2Cl ZINC000245905105 1433539062 /nfs/dbraw/zinc/53/90/62/1433539062.db2.gz QNRYXTFLFHWVHB-FIKGOQFSSA-N 0 1 399.922 3.262 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000245903768 1433539330 /nfs/dbraw/zinc/53/93/30/1433539330.db2.gz LVYSELUSIUDWPA-HLLBOEOZSA-N 0 1 384.442 3.348 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2NC1=O ZINC000245909072 1433539986 /nfs/dbraw/zinc/53/99/86/1433539986.db2.gz UWJWHTLVIJULRN-ZAHIEGGZSA-N 0 1 387.524 3.340 20 0 GGADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@H](c1nccn1C)C1CC1 ZINC000245909057 1433540076 /nfs/dbraw/zinc/54/00/76/1433540076.db2.gz UWIAMMJJMNWPHL-IMJJTQAJSA-N 0 1 378.517 3.221 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)[C@@H]3CCCC[C@H]3C)ccc2NC1=O ZINC000245908726 1433540144 /nfs/dbraw/zinc/54/01/44/1433540144.db2.gz UQJAQRDVUUKOHL-OHQAAIJDSA-N 0 1 387.524 3.484 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(Cl)c1F ZINC000245909293 1433540277 /nfs/dbraw/zinc/54/02/77/1433540277.db2.gz RAQPEKVIXMAQIH-LSDHHAIUSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000245910973 1433540747 /nfs/dbraw/zinc/54/07/47/1433540747.db2.gz RHDDTGCXBXNEES-JKSUJKDBSA-N 0 1 396.384 3.210 20 0 GGADMN CC(C)(C)O[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1 ZINC000245913674 1433541048 /nfs/dbraw/zinc/54/10/48/1433541048.db2.gz RPHGVVKFLVUSCF-VSKRKVRLSA-N 0 1 396.531 3.294 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CCN1CCOC ZINC000245914978 1433541072 /nfs/dbraw/zinc/54/10/72/1433541072.db2.gz NAPOUBRVGXMKBN-NNMXDRDESA-N 0 1 389.584 3.247 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CCN1CCOC ZINC000245914986 1433541142 /nfs/dbraw/zinc/54/11/42/1433541142.db2.gz NAPOUBRVGXMKBN-WOIUINJBSA-N 0 1 389.584 3.247 20 0 GGADMN CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245917570 1433542095 /nfs/dbraw/zinc/54/20/95/1433542095.db2.gz WHNCBASQBBDVQD-RBBKRZOGSA-N 0 1 397.563 3.209 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)N1CCN(C)CC1 ZINC000245921268 1433543232 /nfs/dbraw/zinc/54/32/32/1433543232.db2.gz MIBPVTPQIODURT-VABKMULXSA-N 0 1 379.548 3.332 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)OC ZINC000245923057 1433543423 /nfs/dbraw/zinc/54/34/23/1433543423.db2.gz YCXNCAVJTROCPE-GCKMJXCFSA-N 0 1 383.492 3.103 20 0 GGADMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccn(CCc2ccncc2)n1 ZINC000245922990 1433543717 /nfs/dbraw/zinc/54/37/17/1433543717.db2.gz RFZZWPHKMKVKRY-WIYYLYMNSA-N 0 1 376.508 3.238 20 0 GGADMN CCC[C@H]1CN(C(=O)NCC(C)(C)C[C@H](C)O)CCN1Cc1ccccc1 ZINC000245925229 1433544086 /nfs/dbraw/zinc/54/40/86/1433544086.db2.gz RJOPDXXPAIPMPY-ICSRJNTNSA-N 0 1 375.557 3.480 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCC(C)(C)C[C@H](C)O)CCN1Cc1ccccc1 ZINC000245925222 1433544482 /nfs/dbraw/zinc/54/44/82/1433544482.db2.gz RJOPDXXPAIPMPY-AZUAARDMSA-N 0 1 375.557 3.480 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245930070 1433545554 /nfs/dbraw/zinc/54/55/54/1433545554.db2.gz YNDIVMLGSKBETN-HOTGVXAUSA-N 0 1 393.503 3.019 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)C2)CC1 ZINC000245951791 1433549826 /nfs/dbraw/zinc/54/98/26/1433549826.db2.gz ZKNNBPKYHRLACW-OIBXWCBGSA-N 0 1 377.532 3.182 20 0 GGADMN CN(Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245959641 1433550832 /nfs/dbraw/zinc/55/08/32/1433550832.db2.gz RUHKLSDTLBPYJD-MRDQGFSESA-N 0 1 385.451 3.478 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000245961854 1433551017 /nfs/dbraw/zinc/55/10/17/1433551017.db2.gz YGZPWAQFYWBLRB-FEHMIHBQSA-N 0 1 399.922 3.230 20 0 GGADMN Cc1ccc(CCCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000245969607 1433551890 /nfs/dbraw/zinc/55/18/90/1433551890.db2.gz VKPHYXJVKDYKER-FPOVZHCZSA-N 0 1 386.561 3.378 20 0 GGADMN Cc1ccc(CCCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)s1 ZINC000245969607 1433551894 /nfs/dbraw/zinc/55/18/94/1433551894.db2.gz VKPHYXJVKDYKER-FPOVZHCZSA-N 0 1 386.561 3.378 20 0 GGADMN O=C(C[C@@H]1CCCc2ccccc21)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245987973 1433554149 /nfs/dbraw/zinc/55/41/49/1433554149.db2.gz WLVSLNJFRAXWQG-FKBYEOEOSA-N 0 1 378.516 3.248 20 0 GGADMN O=C(C[C@@H]1CCCc2ccccc21)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245987973 1433554153 /nfs/dbraw/zinc/55/41/53/1433554153.db2.gz WLVSLNJFRAXWQG-FKBYEOEOSA-N 0 1 378.516 3.248 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1OC ZINC000245999737 1433555668 /nfs/dbraw/zinc/55/56/68/1433555668.db2.gz FXFBRUHCBTZFTP-HHXXYDBFSA-N 0 1 392.540 3.374 20 0 GGADMN CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000246001613 1433556309 /nfs/dbraw/zinc/55/63/09/1433556309.db2.gz YGJXITUAWCFCJX-ZRBLBEILSA-N 0 1 380.532 3.253 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cccc(-c2ncco2)c1 ZINC000246003291 1433556409 /nfs/dbraw/zinc/55/64/09/1433556409.db2.gz YNKDXSJGGUGDIQ-PMACEKPBSA-N 0 1 392.459 3.099 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000246010955 1433557576 /nfs/dbraw/zinc/55/75/76/1433557576.db2.gz ZONMIKHNIOODGF-MNEFBYGVSA-N 0 1 380.529 3.332 20 0 GGADMN O=C(NCc1cccc2ccccc21)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000246013782 1433557847 /nfs/dbraw/zinc/55/78/47/1433557847.db2.gz ZXOJVTOPAZUEMJ-VXKWHMMOSA-N 0 1 389.499 3.274 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000246016748 1433558009 /nfs/dbraw/zinc/55/80/09/1433558009.db2.gz JXMFDWFMMJFOCJ-BBWFWOEESA-N 0 1 392.519 3.353 20 0 GGADMN CC[C@@H](CSC)NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000246018610 1433558581 /nfs/dbraw/zinc/55/85/81/1433558581.db2.gz JKNSKVKTMXRASK-ZBFHGGJFSA-N 0 1 377.554 3.243 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C[C@H](C)O1 ZINC000246029042 1433559413 /nfs/dbraw/zinc/55/94/13/1433559413.db2.gz PGYQYJJVYPOOPQ-JZXOWHBKSA-N 0 1 375.513 3.087 20 0 GGADMN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@@H](Nc2ccccc2)C1 ZINC000246026088 1433559459 /nfs/dbraw/zinc/55/94/59/1433559459.db2.gz QVYZVLLQPUXMHR-YLJYHZDGSA-N 0 1 376.504 3.402 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)C(=O)NC[C@H]2CCCO2)ccc1OCC(C)C ZINC000246038570 1433560303 /nfs/dbraw/zinc/56/03/03/1433560303.db2.gz NIWVUPSXIJUUAV-LZLYRXPVSA-N 0 1 378.513 3.064 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000246043553 1433560606 /nfs/dbraw/zinc/56/06/06/1433560606.db2.gz SGJFXKOGGUSQJD-LFUKPOHLSA-N 0 1 390.524 3.402 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000246040160 1433560657 /nfs/dbraw/zinc/56/06/57/1433560657.db2.gz XMRFJSHPRWEESJ-PKOBYXMFSA-N 0 1 397.519 3.376 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)CN2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000246040149 1433560855 /nfs/dbraw/zinc/56/08/55/1433560855.db2.gz XMRFJSHPRWEESJ-IEBWSBKVSA-N 0 1 397.519 3.376 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000246042484 1433560860 /nfs/dbraw/zinc/56/08/60/1433560860.db2.gz AJTWMDWXCWUGQG-KJWYOANISA-N 0 1 384.442 3.424 20 0 GGADMN C[C@@H](OCCCNC(=O)CN1CC[C@@H](Nc2ccccc2)C1)c1ccccc1 ZINC000246046796 1433561155 /nfs/dbraw/zinc/56/11/55/1433561155.db2.gz ZRTMCGLABOLCQA-DENIHFKCSA-N 0 1 381.520 3.457 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000246057712 1433562417 /nfs/dbraw/zinc/56/24/17/1433562417.db2.gz YAJVBCGFRGUPGP-UYAOXDASSA-N 0 1 377.492 3.128 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cccc(N3CCCCCC3)c2)CCN1C[C@H](C)O ZINC000246059406 1433562912 /nfs/dbraw/zinc/56/29/12/1433562912.db2.gz AMEXPXVYWZQMLV-ICSRJNTNSA-N 0 1 388.556 3.376 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NC[C@@]3(C)CCCS3)cc2)C[C@H](C)O1 ZINC000246062203 1433563570 /nfs/dbraw/zinc/56/35/70/1433563570.db2.gz BDGGIWUJVFCLMZ-LLGFUMIMSA-N 0 1 391.581 3.381 20 0 GGADMN CCC[C@@H]1CN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1CCOC ZINC000246077895 1433565303 /nfs/dbraw/zinc/56/53/03/1433565303.db2.gz GFSVOLNKJSXCIZ-APWZRJJASA-N 0 1 397.922 3.017 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000246079128 1433565360 /nfs/dbraw/zinc/56/53/60/1433565360.db2.gz TTYOJJNTIRIGPV-GGPKGHCWSA-N 0 1 390.524 3.041 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1OCC(C)C ZINC000246080621 1433565425 /nfs/dbraw/zinc/56/54/25/1433565425.db2.gz UZHOIRUHUCVOEE-IXDOHACOSA-N 0 1 378.513 3.016 20 0 GGADMN CCC[C@H]1CN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1CCOC ZINC000246077899 1433565464 /nfs/dbraw/zinc/56/54/64/1433565464.db2.gz GFSVOLNKJSXCIZ-LPHOPBHVSA-N 0 1 397.922 3.017 20 0 GGADMN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000246083460 1433566147 /nfs/dbraw/zinc/56/61/47/1433566147.db2.gz 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C[N@H+]1CCN(CCCNC(=O)Cc2ccc(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000246129164 1433572785 /nfs/dbraw/zinc/57/27/85/1433572785.db2.gz XJNVDCCDWSMFJZ-OAQYLSRUSA-N 0 1 387.474 3.002 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](C2OCCO2)C1)c1ccc(Cl)c(Cl)c1 ZINC000246139575 1433573618 /nfs/dbraw/zinc/57/36/18/1433573618.db2.gz QUDBHJBQAGQJAE-TZMCWYRMSA-N 0 1 387.307 3.256 20 0 GGADMN CCN(C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1)CC(F)(F)F ZINC000246141179 1433574021 /nfs/dbraw/zinc/57/40/21/1433574021.db2.gz GHQCYULJDQVVSE-CABCVRRESA-N 0 1 387.446 3.228 20 0 GGADMN CCN(C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1)CC(F)(F)F ZINC000246141187 1433574132 /nfs/dbraw/zinc/57/41/32/1433574132.db2.gz GHQCYULJDQVVSE-HUUCEWRRSA-N 0 1 387.446 3.228 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2c[nH]c3ccc(Cl)cc23)C[C@H](C)O1 ZINC000246158057 1433575917 /nfs/dbraw/zinc/57/59/17/1433575917.db2.gz HFBJRTNQEGHIKB-RVKKMQEKSA-N 0 1 389.927 3.464 20 0 GGADMN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 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1433612601 /nfs/dbraw/zinc/61/26/01/1433612601.db2.gz BFVUWSUOAWBNQU-PIPMEXSNSA-N 0 1 384.495 3.319 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C[C@@H]1C ZINC000246437732 1433612832 /nfs/dbraw/zinc/61/28/32/1433612832.db2.gz BUKGEBURNKBSFL-FCEWJHQRSA-N 0 1 387.528 3.011 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000246445526 1433614271 /nfs/dbraw/zinc/61/42/71/1433614271.db2.gz BOUYNFRKSAGHKG-WBVHZDCISA-N 0 1 389.565 3.339 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000246445526 1433614273 /nfs/dbraw/zinc/61/42/73/1433614273.db2.gz BOUYNFRKSAGHKG-WBVHZDCISA-N 0 1 389.565 3.339 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccco1 ZINC000246447853 1433614589 /nfs/dbraw/zinc/61/45/89/1433614589.db2.gz IVUNZZBKWRFBGN-RWQQGDIJSA-N 0 1 375.513 3.309 20 0 GGADMN COc1ccc(CNC(=O)[C@@H](C)N2CCC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000246458001 1433615615 /nfs/dbraw/zinc/61/56/15/1433615615.db2.gz 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CC(=O)N1CC[C@H](CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246479362 1433619250 /nfs/dbraw/zinc/61/92/50/1433619250.db2.gz JRBCXFUWRDNIGR-DYESRHJHSA-N 0 1 383.467 3.306 20 0 GGADMN CCC[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000246487257 1433619933 /nfs/dbraw/zinc/61/99/33/1433619933.db2.gz ICFFQAYPLIMWEU-QZTJIDSGSA-N 0 1 384.524 3.324 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@@H]2OCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246494710 1433621033 /nfs/dbraw/zinc/62/10/33/1433621033.db2.gz DTQJOXMHGUJXSN-QRTARXTBSA-N 0 1 381.314 3.127 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000246494471 1433621091 /nfs/dbraw/zinc/62/10/91/1433621091.db2.gz IRFWLEQLCWUIED-ZQDPJKHASA-N 0 1 391.581 3.028 20 0 GGADMN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1F ZINC000246497830 1433621612 /nfs/dbraw/zinc/62/16/12/1433621612.db2.gz DWSFGRYUSVXICF-ZWCUEREDSA-N 0 1 384.495 3.319 20 0 GGADMN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000246500992 1433622107 /nfs/dbraw/zinc/62/21/07/1433622107.db2.gz BOHMOVGTFXABGA-BXWFABGCSA-N 0 1 384.476 3.081 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000246501662 1433622200 /nfs/dbraw/zinc/62/22/00/1433622200.db2.gz NFJKOCNBKSEGPN-KWMCUTETSA-N 0 1 399.560 3.230 20 0 GGADMN CS[C@@H]1CCCCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000246519201 1433624368 /nfs/dbraw/zinc/62/43/68/1433624368.db2.gz IQYOGOSKBKIEMD-MBOZVWFJSA-N 0 1 391.581 3.456 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246523625 1433625244 /nfs/dbraw/zinc/62/52/44/1433625244.db2.gz CKDMIVIJBFESFV-PZJWPPBQSA-N 0 1 397.519 3.478 20 0 GGADMN CC(C)Oc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246527408 1433625837 /nfs/dbraw/zinc/62/58/37/1433625837.db2.gz CMVJFHPRXKRKGO-UGKGYDQZSA-N 0 1 397.519 3.478 20 0 GGADMN CC(C)Oc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246527408 1433625840 /nfs/dbraw/zinc/62/58/40/1433625840.db2.gz CMVJFHPRXKRKGO-UGKGYDQZSA-N 0 1 397.519 3.478 20 0 GGADMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000246538112 1433627663 /nfs/dbraw/zinc/62/76/63/1433627663.db2.gz ANVSEMUGMOVALP-XMCHAPAWSA-N 0 1 391.462 3.379 20 0 GGADMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000246538105 1433627695 /nfs/dbraw/zinc/62/76/95/1433627695.db2.gz ANVSEMUGMOVALP-JSNMRZPZSA-N 0 1 391.462 3.379 20 0 GGADMN O=C(CCc1ccc(Cl)s1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000246554812 1433630289 /nfs/dbraw/zinc/63/02/89/1433630289.db2.gz HANCKVMXHJJOEB-WMZOPIPTSA-N 0 1 392.952 3.333 20 0 GGADMN O=C(CCc1ccc(Cl)s1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246554812 1433630293 /nfs/dbraw/zinc/63/02/93/1433630293.db2.gz HANCKVMXHJJOEB-WMZOPIPTSA-N 0 1 392.952 3.333 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000246558648 1433630785 /nfs/dbraw/zinc/63/07/85/1433630785.db2.gz DWAMJIDKXCCEFI-SJORKVTESA-N 0 1 379.932 3.020 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246557617 1433630898 /nfs/dbraw/zinc/63/08/98/1433630898.db2.gz HBEJXSBBMPUCJA-DPWOPVHTSA-N 0 1 391.581 3.030 20 0 GGADMN COc1ccc(COC[C@@H](O)CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000246560866 1433631487 /nfs/dbraw/zinc/63/14/87/1433631487.db2.gz DXWXRYCSZJWDPG-PKOBYXMFSA-N 0 1 391.895 3.379 20 0 GGADMN Cc1ccc(C2=NN(C(=O)CN(C)C[C@@H]3CCC[C@H]3O)[C@H](c3ccco3)C2)cc1 ZINC000246575403 1433633727 /nfs/dbraw/zinc/63/37/27/1433633727.db2.gz LZRLKLSYJADCBC-SESVDKBCSA-N 0 1 395.503 3.359 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)N1CCN(C)CC1 ZINC000246586185 1433635065 /nfs/dbraw/zinc/63/50/65/1433635065.db2.gz ZZOJSRAZWMAMJW-JRGCBEDISA-N 0 1 390.547 3.190 20 0 GGADMN Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](CN4CCOCC4)C3)o2)cc1C ZINC000246594684 1433636634 /nfs/dbraw/zinc/63/66/34/1433636634.db2.gz MFNNIJCMSYOXNR-MOPGFXCFSA-N 0 1 384.524 3.459 20 0 GGADMN Cc1[nH]c2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)cc2c1C ZINC000246604680 1433638300 /nfs/dbraw/zinc/63/83/00/1433638300.db2.gz JCYMKICQENVNTJ-NZQKXSOJSA-N 0 1 391.515 3.398 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000246613427 1433639355 /nfs/dbraw/zinc/63/93/55/1433639355.db2.gz BKOMRGAYCRDKBS-WMLDXEAASA-N 0 1 397.357 3.357 20 0 GGADMN CC[C@H](CSc1ccccc1)NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000246612194 1433639509 /nfs/dbraw/zinc/63/95/09/1433639509.db2.gz PUQBTYNUJCPTOI-ZWKOTPCHSA-N 0 1 391.581 3.452 20 0 GGADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000246621289 1433640888 /nfs/dbraw/zinc/64/08/88/1433640888.db2.gz MWQSUYUNTVRBTJ-ROUUACIJSA-N 0 1 393.959 3.328 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000246628947 1433642134 /nfs/dbraw/zinc/64/21/34/1433642134.db2.gz IWCQSAUNXVFHCG-WMLDXEAASA-N 0 1 397.357 3.357 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000246628938 1433642497 /nfs/dbraw/zinc/64/24/97/1433642497.db2.gz IWCQSAUNXVFHCG-RHSMWYFYSA-N 0 1 397.357 3.357 20 0 GGADMN CCc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)N(C)C)cc1 ZINC000246634969 1433643289 /nfs/dbraw/zinc/64/32/89/1433643289.db2.gz NGHWBZZJLSLYMA-XJEZSFAFSA-N 0 1 393.597 3.231 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCN1C[C@H](C)O ZINC000246639981 1433643998 /nfs/dbraw/zinc/64/39/98/1433643998.db2.gz CJCDNDAGHJGVML-RDJZCZTQSA-N 0 1 393.503 3.456 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc2ccccc21 ZINC000246657946 1433646336 /nfs/dbraw/zinc/64/63/36/1433646336.db2.gz RRDUVHJNYWCUIO-PMACEKPBSA-N 0 1 395.547 3.061 20 0 GGADMN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C2)no1 ZINC000246658935 1433646383 /nfs/dbraw/zinc/64/63/83/1433646383.db2.gz WBRGZIRADQPWEI-UXPWSPDFSA-N 0 1 397.523 3.005 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000246662358 1433646781 /nfs/dbraw/zinc/64/67/81/1433646781.db2.gz KTSQQVIJBMVIGS-HDMKZQKVSA-N 0 1 397.357 3.499 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C[C@@H](C)N1 ZINC000246669232 1433647585 /nfs/dbraw/zinc/64/75/85/1433647585.db2.gz FJDIVWUIYNPDHD-NFAWXSAZSA-N 0 1 398.334 3.054 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)CC2 ZINC000246697960 1433651408 /nfs/dbraw/zinc/65/14/08/1433651408.db2.gz BWQBONUWEWXLSN-IPMKNSEASA-N 0 1 394.943 3.159 20 0 GGADMN Cc1cc(-c2noc([C@H](C)N3CCC[C@@H](CN4CCOCC4)C3)n2)ccc1F ZINC000246702755 1433652300 /nfs/dbraw/zinc/65/23/00/1433652300.db2.gz YOVSXHNUBZAKLB-IRXDYDNUSA-N 0 1 388.487 3.289 20 0 GGADMN CN(CCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)Cc1ccc(F)cc1 ZINC000246710298 1433653685 /nfs/dbraw/zinc/65/36/85/1433653685.db2.gz SIDSGLVXDLWAEX-RTBURBONSA-N 0 1 389.471 3.148 20 0 GGADMN COc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](c4nnc5n4CCC5)C3)n2)cc1 ZINC000246712955 1433654067 /nfs/dbraw/zinc/65/40/67/1433654067.db2.gz NVJOHYGGIGUCAZ-GDBMZVCRSA-N 0 1 394.479 3.224 20 0 GGADMN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000246721000 1433655179 /nfs/dbraw/zinc/65/51/79/1433655179.db2.gz TTXOGNVGMQFJMR-KGVIQGDOSA-N 0 1 381.520 3.245 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246725390 1433655858 /nfs/dbraw/zinc/65/58/58/1433655858.db2.gz KTPDIVSNPHFYOA-ROUUACIJSA-N 0 1 385.552 3.229 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246727767 1433656197 /nfs/dbraw/zinc/65/61/97/1433656197.db2.gz KWCGFUJAOJOWCM-IRXDYDNUSA-N 0 1 396.535 3.436 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](N[C@H](C)CO[C@H]1CCOC1)c1ccccc1 ZINC000246726556 1433656212 /nfs/dbraw/zinc/65/62/12/1433656212.db2.gz XDQDXXQLVSNHRQ-ZWCUEREDSA-N 0 1 398.503 3.467 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246736235 1433657532 /nfs/dbraw/zinc/65/75/32/1433657532.db2.gz ICQJFRDMCIHUQP-QAPCUYQASA-N 0 1 391.487 3.168 20 0 GGADMN C[C@@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1ccc(F)cc1Cl ZINC000246738092 1433658015 /nfs/dbraw/zinc/65/80/15/1433658015.db2.gz KKPARQFYXHURGO-UONOGXRCSA-N 0 1 383.895 3.435 20 0 GGADMN CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)C[C@H]1CCC[C@H]1O ZINC000246740674 1433658320 /nfs/dbraw/zinc/65/83/20/1433658320.db2.gz OFBDBBNNHXKEAY-IEBWSBKVSA-N 0 1 385.533 3.405 20 0 GGADMN C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000246745703 1433658941 /nfs/dbraw/zinc/65/89/41/1433658941.db2.gz VEUGDMCCUVEQTH-JZXOWHBKSA-N 0 1 393.572 3.401 20 0 GGADMN O=C(CCN1CCO[C@H]([C@H]2CCCO2)C1)NC(c1ccccc1)c1ccccc1 ZINC000246745661 1433659048 /nfs/dbraw/zinc/65/90/48/1433659048.db2.gz BEJQBERDTSXPPX-YADHBBJMSA-N 0 1 394.515 3.162 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000246745734 1433659113 /nfs/dbraw/zinc/65/91/13/1433659113.db2.gz VEUGDMCCUVEQTH-XYJFISCASA-N 0 1 393.572 3.401 20 0 GGADMN CN(C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000246747265 1433659571 /nfs/dbraw/zinc/65/95/71/1433659571.db2.gz NAMSDGPPNPBXEP-RHSMWYFYSA-N 0 1 398.334 3.151 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@](C)(c2ccccc2)C1 ZINC000246752793 1433660403 /nfs/dbraw/zinc/66/04/03/1433660403.db2.gz AGSFYNUOGFWATN-NYHFZMIOSA-N 0 1 378.476 3.237 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000246765189 1433662153 /nfs/dbraw/zinc/66/21/53/1433662153.db2.gz YJDZDBQYMZJFFV-PFACBQEBSA-N 0 1 391.581 3.203 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246772020 1433663725 /nfs/dbraw/zinc/66/37/25/1433663725.db2.gz QMSMNNNCXZNSKV-KYJSFNMBSA-N 0 1 395.341 3.297 20 0 GGADMN CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@]3(C)CCCS3)c2C1 ZINC000246792887 1433668091 /nfs/dbraw/zinc/66/80/91/1433668091.db2.gz XRNDDXVVCGAEMU-QVKFZJNVSA-N 0 1 389.565 3.387 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NC[C@@]3(C)CCCS3)c2C1 ZINC000246792887 1433668092 /nfs/dbraw/zinc/66/80/92/1433668092.db2.gz XRNDDXVVCGAEMU-QVKFZJNVSA-N 0 1 389.565 3.387 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246804213 1433670308 /nfs/dbraw/zinc/67/03/08/1433670308.db2.gz REHZZTKGLZMFOU-DODZYUBVSA-N 0 1 377.504 3.212 20 0 GGADMN CC[C@]1(C)CCCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000246814119 1433672147 /nfs/dbraw/zinc/67/21/47/1433672147.db2.gz ACCBMEZVNQOPQN-CWTRNNRKSA-N 0 1 385.430 3.059 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246818946 1433673382 /nfs/dbraw/zinc/67/33/82/1433673382.db2.gz JTVPQGOAYONVSH-QKLQHJQFSA-N 0 1 391.581 3.333 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000246818924 1433673526 /nfs/dbraw/zinc/67/35/26/1433673526.db2.gz JTVPQGOAYONVSH-HLIPFELVSA-N 0 1 391.581 3.333 20 0 GGADMN Cc1cccc(CNC(=O)CN2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000246826488 1433675030 /nfs/dbraw/zinc/67/50/30/1433675030.db2.gz ZDRLAUSMKDKLNA-HKUYNNGSSA-N 0 1 389.540 3.236 20 0 GGADMN CC(C)[C@H](NC(=O)CN(C)[C@H](CO)C(C)(C)C)c1ccc2c(c1)OCCCO2 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/nfs/dbraw/zinc/68/17/32/1433681732.db2.gz LSXOUMICTUWEOM-QZTJIDSGSA-N 0 1 380.529 3.159 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCS[C@@H]2COCC[C@H]21 ZINC000246878448 1433681733 /nfs/dbraw/zinc/68/17/33/1433681733.db2.gz LSXOUMICTUWEOM-QZTJIDSGSA-N 0 1 380.529 3.159 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246878623 1433681870 /nfs/dbraw/zinc/68/18/70/1433681870.db2.gz AVHFFSLIPLXWTC-VQIMIIECSA-N 0 1 393.491 3.335 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246878623 1433681874 /nfs/dbraw/zinc/68/18/74/1433681874.db2.gz AVHFFSLIPLXWTC-VQIMIIECSA-N 0 1 393.491 3.335 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CCN1C[C@@H](C)O ZINC000246887039 1433682794 /nfs/dbraw/zinc/68/27/94/1433682794.db2.gz OXUKTPKCLOWQIN-TXCZRRACSA-N 0 1 384.442 3.113 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000246903703 1433684978 /nfs/dbraw/zinc/68/49/78/1433684978.db2.gz XUQVSAFUVVFRKV-SJORKVTESA-N 0 1 376.497 3.386 20 0 GGADMN O=C(Cc1c(F)cccc1Cl)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246913796 1433686654 /nfs/dbraw/zinc/68/66/54/1433686654.db2.gz VYXZKAZSEHPGFS-JXFKEZNVSA-N 0 1 390.886 3.021 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000246917353 1433686884 /nfs/dbraw/zinc/68/68/84/1433686884.db2.gz SIVABMONMKYBHS-LSTHTHJFSA-N 0 1 388.556 3.452 20 0 GGADMN O=C1[C@@H](N2CCC[C@@H](c3nnc4ccccn43)C2)CCCN1c1cccc(F)c1 ZINC000246917418 1433687129 /nfs/dbraw/zinc/68/71/29/1433687129.db2.gz CUKOVJNIICEEDD-APWZRJJASA-N 0 1 393.466 3.243 20 0 GGADMN CCCNC(=O)[C@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000247196709 1433689871 /nfs/dbraw/zinc/68/98/71/1433689871.db2.gz LLTJABMWYSFRME-YOEHRIQHSA-N 0 1 397.441 3.049 20 0 GGADMN C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247200590 1433690184 /nfs/dbraw/zinc/69/01/84/1433690184.db2.gz WCHFHTNLTLDINB-IEBWSBKVSA-N 0 1 381.524 3.304 20 0 GGADMN C[C@H](C(=O)NCCC1=CCCCC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247200590 1433690186 /nfs/dbraw/zinc/69/01/86/1433690186.db2.gz WCHFHTNLTLDINB-IEBWSBKVSA-N 0 1 381.524 3.304 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C[C@@H]1CCOC1 ZINC000247211799 1433691533 /nfs/dbraw/zinc/69/15/33/1433691533.db2.gz XWGBJRZRVRKERY-GOEBONIOSA-N 0 1 389.546 3.456 20 0 GGADMN CNC(=O)[C@H]1CCCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000247230516 1433693709 /nfs/dbraw/zinc/69/37/09/1433693709.db2.gz SDBOKOVKEABKDW-RBUKOAKNSA-N 0 1 376.460 3.284 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000247231609 1433694080 /nfs/dbraw/zinc/69/40/80/1433694080.db2.gz CWIHFWBHXKHDCX-OTWHNJEPSA-N 0 1 397.485 3.197 20 0 GGADMN C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cnn(Cc2ccccc2)c1 ZINC000247244937 1433695921 /nfs/dbraw/zinc/69/59/21/1433695921.db2.gz ZDYPVCJIKOYYHO-RBUKOAKNSA-N 0 1 391.519 3.402 20 0 GGADMN NC(=O)C[C@@H]1CCCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000247246197 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ZURNMZMXQJMTRA-BPQIPLTHSA-N 0 1 386.517 3.276 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247354677 1433712063 /nfs/dbraw/zinc/71/20/63/1433712063.db2.gz GXDCXTJLHDDBKJ-RBBKRZOGSA-N 0 1 380.536 3.429 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)C[C@@H]1C ZINC000247356507 1433712592 /nfs/dbraw/zinc/71/25/92/1433712592.db2.gz PVFWMZMTRIXTTL-ROUUACIJSA-N 0 1 389.540 3.455 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000247384831 1433715869 /nfs/dbraw/zinc/71/58/69/1433715869.db2.gz UWCCZFRBVZSTBG-NHCUHLMSSA-N 0 1 379.504 3.093 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000247431998 1433721474 /nfs/dbraw/zinc/72/14/74/1433721474.db2.gz MDOMCJAFPWMQJP-DZKIICNBSA-N 0 1 382.574 3.216 20 0 GGADMN Cc1cc([C@H](C)NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C)o1 ZINC000247437802 1433722243 /nfs/dbraw/zinc/72/22/43/1433722243.db2.gz LSNFVFCVZDDWFZ-LRQRDZAKSA-N 0 1 385.508 3.140 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CCC[C@@H](c2nnc3ccccn32)C1)C1CCCCC1 ZINC000247442849 1433722895 /nfs/dbraw/zinc/72/28/95/1433722895.db2.gz XYDLQOPJOHABTC-QZTJIDSGSA-N 0 1 383.540 3.478 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CCS1 ZINC000247459668 1433725203 /nfs/dbraw/zinc/72/52/03/1433725203.db2.gz QIOYVRXHWBMGDT-ABSDTBQOSA-N 0 1 391.581 3.333 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCCC[C@H]1CN1CCOCC1)c1cc2ccccc2o1 ZINC000247503899 1433730495 /nfs/dbraw/zinc/73/04/95/1433730495.db2.gz LZBSOERBLAQIJK-BJLQDIEVSA-N 0 1 399.535 3.185 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247510110 1433731276 /nfs/dbraw/zinc/73/12/76/1433731276.db2.gz PHIPXNQMMGFSAM-LXGFNABISA-N 0 1 389.540 3.005 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)n[nH]1 ZINC000247531421 1433734271 /nfs/dbraw/zinc/73/42/71/1433734271.db2.gz PCIXQGGONTWNKS-WRSAYESZSA-N 0 1 376.888 3.474 20 0 GGADMN C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1n1ccnc1 ZINC000247539437 1433734811 /nfs/dbraw/zinc/73/48/11/1433734811.db2.gz JXVDCACGOHWKSA-NRSPTQNISA-N 0 1 381.524 3.140 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000247543378 1433735400 /nfs/dbraw/zinc/73/54/00/1433735400.db2.gz QFSFIBXQWDTIOM-RBAQFSTRSA-N 0 1 389.565 3.003 20 0 GGADMN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)[C@@H](C)C1 ZINC000247548455 1433735970 /nfs/dbraw/zinc/73/59/70/1433735970.db2.gz ZAPIDMBQPILMIR-SOLBZPMBSA-N 0 1 389.565 3.115 20 0 GGADMN CC[C@@H]1CN([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCN1C[C@H](C)O ZINC000247571054 1433738428 /nfs/dbraw/zinc/73/84/28/1433738428.db2.gz HEVCFPVTQCABDC-ZMSDIMECSA-N 0 1 376.476 3.022 20 0 GGADMN Cc1ccc(N2CCCN([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)nn1 ZINC000247565959 1433738524 /nfs/dbraw/zinc/73/85/24/1433738524.db2.gz GNLBNOXOKPLPJW-JOCHJYFZSA-N 0 1 393.535 3.051 20 0 GGADMN CCc1cc(N2CCC[C@@H](N[C@@H](C(=O)N(CC)CC)c3ccccc3)C2)ncn1 ZINC000247579732 1433738633 /nfs/dbraw/zinc/73/86/33/1433738633.db2.gz YHMJIMXKJWAQBE-IFMALSPDSA-N 0 1 395.551 3.207 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@H](COCc2ccccc2)C1 ZINC000247579722 1433738869 /nfs/dbraw/zinc/73/88/69/1433738869.db2.gz SQUCWXYNIGTZRP-IEBWSBKVSA-N 0 1 396.487 3.324 20 0 GGADMN O=C(NCc1cc2ccccc2o1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000247631435 1433741374 /nfs/dbraw/zinc/74/13/74/1433741374.db2.gz SVSKLWVHDKEPQL-CTNGQTDRSA-N 0 1 393.487 3.115 20 0 GGADMN O=C(Nc1cccc2[nH]ccc21)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000247639707 1433741606 /nfs/dbraw/zinc/74/16/06/1433741606.db2.gz URAUZIYKYJGEHS-UTKZUKDTSA-N 0 1 378.476 3.172 20 0 GGADMN O=C(Nc1cccc2[nH]ccc21)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000247639707 1433741613 /nfs/dbraw/zinc/74/16/13/1433741613.db2.gz URAUZIYKYJGEHS-UTKZUKDTSA-N 0 1 378.476 3.172 20 0 GGADMN O=C(Nc1c(F)cc(F)cc1F)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000247641576 1433741877 /nfs/dbraw/zinc/74/18/77/1433741877.db2.gz UZJYZEPNKHGQQN-KDOFPFPSSA-N 0 1 393.409 3.108 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C[C@H](C)O1 ZINC000247646512 1433742484 /nfs/dbraw/zinc/74/24/84/1433742484.db2.gz VGRDAQCZUIXCTH-ILZDJORESA-N 0 1 375.513 3.041 20 0 GGADMN CN1CC[C@@H](CNC(=O)C(F)(F)C2(O)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247654711 1433743836 /nfs/dbraw/zinc/74/38/36/1433743836.db2.gz OCOCBWRRVDEDAT-SWLSCSKDSA-N 0 1 390.833 3.138 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000247656522 1433744144 /nfs/dbraw/zinc/74/41/44/1433744144.db2.gz XFQJDUKKVYVMNI-FUHWJXTLSA-N 0 1 388.899 3.048 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCS[C@H](C(C)C)C2)c1 ZINC000247698236 1433747023 /nfs/dbraw/zinc/74/70/23/1433747023.db2.gz XBSFBIIXQIJTMQ-ICSRJNTNSA-N 0 1 392.565 3.441 20 0 GGADMN O=C(CN1CCCC[C@H]1CCO)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000247728366 1433747808 /nfs/dbraw/zinc/74/78/08/1433747808.db2.gz TZVQAIYGCXPDCR-PGRDOPGGSA-N 0 1 384.545 3.459 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000247724375 1433747986 /nfs/dbraw/zinc/74/79/86/1433747986.db2.gz SERJSQYCSSIKHG-GHMZBOCLSA-N 0 1 391.821 3.144 20 0 GGADMN CC[C@@H]1CN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CCN1C[C@H](C)O ZINC000247779062 1433750521 /nfs/dbraw/zinc/75/05/21/1433750521.db2.gz RKLNSQWIRSWIBP-YQQAZPJKSA-N 0 1 376.476 3.022 20 0 GGADMN CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1F ZINC000247957588 1433758889 /nfs/dbraw/zinc/75/88/89/1433758889.db2.gz UCQCEHUHCURWLG-UHFFFAOYSA-N 0 1 392.330 3.484 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000247964493 1433759583 /nfs/dbraw/zinc/75/95/83/1433759583.db2.gz PWXWAEOPEXEYSA-INIZCTEOSA-N 0 1 391.519 3.497 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)c1cccc(F)c1 ZINC000247977597 1433760846 /nfs/dbraw/zinc/76/08/46/1433760846.db2.gz IVRQMTFBUJGIQT-SFHVURJKSA-N 0 1 399.495 3.269 20 0 GGADMN Cc1nc(COc2ccccc2C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)no1 ZINC000248035851 1433764826 /nfs/dbraw/zinc/76/48/26/1433764826.db2.gz NGGRCLZUCSEREH-SFHVURJKSA-N 0 1 398.438 3.129 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000248054008 1433766278 /nfs/dbraw/zinc/76/62/78/1433766278.db2.gz BDNBSILECUEXPN-UHFFFAOYSA-N 0 1 387.553 3.298 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000248058671 1433766741 /nfs/dbraw/zinc/76/67/41/1433766741.db2.gz TWFXDYLCPLVQBH-HNNXBMFYSA-N 0 1 385.514 3.433 20 0 GGADMN COc1ccc(CN(C)C(=O)CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000248086824 1433769021 /nfs/dbraw/zinc/76/90/21/1433769021.db2.gz WOWKBJUXKMLBCR-UHFFFAOYSA-N 0 1 399.510 3.001 20 0 GGADMN Cc1cccc2sc(NC(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)nc21 ZINC000248097741 1433769710 /nfs/dbraw/zinc/76/97/10/1433769710.db2.gz OGNHQUOHBSOLPZ-UHFFFAOYSA-N 0 1 382.470 3.393 20 0 GGADMN CC(C)CCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000248119751 1433770720 /nfs/dbraw/zinc/77/07/20/1433770720.db2.gz JORFEJDIEJBFKC-UHFFFAOYSA-N 0 1 396.535 3.188 20 0 GGADMN CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000248131594 1433772621 /nfs/dbraw/zinc/77/26/21/1433772621.db2.gz NJQWHCPSVVWNLZ-SFHVURJKSA-N 0 1 396.535 3.042 20 0 GGADMN CCc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cnn1-c1ccccc1 ZINC000248137914 1433773302 /nfs/dbraw/zinc/77/33/02/1433773302.db2.gz PELVQGHEHJNYSI-UHFFFAOYSA-N 0 1 389.503 3.439 20 0 GGADMN Cc1cccc(C(=O)N2CCCN(C[C@H](O)COc3cc(C)cc(C)c3)CC2)c1 ZINC000248153912 1433775345 /nfs/dbraw/zinc/77/53/45/1433775345.db2.gz KVTIGVFOIQLINV-QFIPXVFZSA-N 0 1 396.531 3.200 20 0 GGADMN Cc1c(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)sc2cccc(F)c12 ZINC000248165767 1433776794 /nfs/dbraw/zinc/77/67/94/1433776794.db2.gz ZSWDTOMHIKOQMH-UHFFFAOYSA-N 0 1 398.507 3.426 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2noc3ccccc23)N2CCCC2)c1 ZINC000248175728 1433778093 /nfs/dbraw/zinc/77/80/93/1433778093.db2.gz ADKXNZGBSBLZSM-HXUWFJFHSA-N 0 1 379.460 3.332 20 0 GGADMN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248241375 1433782065 /nfs/dbraw/zinc/78/20/65/1433782065.db2.gz FDHYBMXKEGDNKC-UXHICEINSA-N 0 1 390.524 3.316 20 0 GGADMN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000248241376 1433782119 /nfs/dbraw/zinc/78/21/19/1433782119.db2.gz FDHYBMXKEGDNKC-VQTJNVASSA-N 0 1 390.524 3.316 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CCn1cnc2ccccc21)N1CCCC1 ZINC000248256261 1433783380 /nfs/dbraw/zinc/78/33/80/1433783380.db2.gz SQSZCJKTFDLALF-OAQYLSRUSA-N 0 1 392.503 3.388 20 0 GGADMN Cc1ccc2nc(NC(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)sc2c1 ZINC000248335506 1433786835 /nfs/dbraw/zinc/78/68/35/1433786835.db2.gz NBRJFFSJTMVSDK-UHFFFAOYSA-N 0 1 382.470 3.393 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248366938 1433787936 /nfs/dbraw/zinc/78/79/36/1433787936.db2.gz SSBIXBVQYLYFJD-BNDYYXHWSA-N 0 1 385.552 3.212 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248371444 1433788756 /nfs/dbraw/zinc/78/87/56/1433788756.db2.gz YQGFJAVCRKSOSV-BWTSREIZSA-N 0 1 395.469 3.380 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(CN2C[C@@H](c3ccccc3F)CC2=O)C1 ZINC000248373147 1433788941 /nfs/dbraw/zinc/78/89/41/1433788941.db2.gz GRQDOHZRVFXLAK-SJORKVTESA-N 0 1 376.472 3.154 20 0 GGADMN O=C(CC1CCC(C(F)(F)F)CC1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000248372775 1433789293 /nfs/dbraw/zinc/78/92/93/1433789293.db2.gz CLKZLNQANPXBFK-FYOYPEGLSA-N 0 1 398.469 3.497 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000248404665 1433799507 /nfs/dbraw/zinc/79/95/07/1433799507.db2.gz AHVUYJLYGVMDCU-QWFCFKBJSA-N 0 1 379.589 3.288 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)[C@H]1COc2ccccc21 ZINC000248407558 1433799816 /nfs/dbraw/zinc/79/98/16/1433799816.db2.gz DGNGXHYMNMNPNG-YSVLISHTSA-N 0 1 381.480 3.136 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000248411082 1433800457 /nfs/dbraw/zinc/80/04/57/1433800457.db2.gz YRXVPOCHTNIKKP-BXWFABGCSA-N 0 1 391.560 3.153 20 0 GGADMN C[C@@H]1CN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)[C@@H]2CCCC[C@H]21 ZINC000248411546 1433800586 /nfs/dbraw/zinc/80/05/86/1433800586.db2.gz DUBBWOLPSQGRKU-IJEWVQPXSA-N 0 1 383.521 3.185 20 0 GGADMN CCC1(CC)[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C[C@H]1OC ZINC000248412584 1433800589 /nfs/dbraw/zinc/80/05/89/1433800589.db2.gz JURQIVNAZBPOCC-BZUAXINKSA-N 0 1 375.517 3.165 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248417561 1433801132 /nfs/dbraw/zinc/80/11/32/1433801132.db2.gz RKZMLIZKNZVFQP-DJIMGWMZSA-N 0 1 375.517 3.166 20 0 GGADMN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248417759 1433801243 /nfs/dbraw/zinc/80/12/43/1433801243.db2.gz RPYBKZVDMLQSPC-ZACQAIPSSA-N 0 1 375.517 3.022 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CCN1C[C@H](C)O ZINC000248424529 1433801608 /nfs/dbraw/zinc/80/16/08/1433801608.db2.gz NLMYYSYZXAOPHA-DZGCQCFKSA-N 0 1 399.482 3.451 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000248427690 1433801788 /nfs/dbraw/zinc/80/17/88/1433801788.db2.gz NTMPFAMTDKVSMC-SFTDATJTSA-N 0 1 385.552 3.148 20 0 GGADMN CC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3ccccn32)CCN1Cc1ccccc1 ZINC000248432428 1433802161 /nfs/dbraw/zinc/80/21/61/1433802161.db2.gz VKEBOMLDCOFADO-IEBWSBKVSA-N 0 1 392.507 3.096 20 0 GGADMN CC1([C@@H]2CCCN([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C2)OCCO1 ZINC000248436820 1433802551 /nfs/dbraw/zinc/80/25/51/1433802551.db2.gz AYJJWYDUGYJLRC-DYVFJYSZSA-N 0 1 382.863 3.059 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(C)C[C@H](C)c2nccs2)c1 ZINC000248436885 1433802595 /nfs/dbraw/zinc/80/25/95/1433802595.db2.gz AZXKJDSPZOTRIU-SOUVJXGZSA-N 0 1 391.537 3.462 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N(C)C[C@@H](C)c2nccs2)c1 ZINC000248436884 1433802668 /nfs/dbraw/zinc/80/26/68/1433802668.db2.gz AZXKJDSPZOTRIU-QLFBSQMISA-N 0 1 391.537 3.462 20 0 GGADMN CC(C)(C)[C@H](NC(=O)CN1CCC[C@@H](C2(C)OCCO2)C1)c1cccs1 ZINC000248437733 1433802813 /nfs/dbraw/zinc/80/28/13/1433802813.db2.gz BKKGPHPUJVHZHB-CRAIPNDOSA-N 0 1 380.554 3.427 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248452614 1433803857 /nfs/dbraw/zinc/80/38/57/1433803857.db2.gz JPTWDJWJEAWCQN-ZIAGYGMSSA-N 0 1 397.313 3.251 20 0 GGADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248458327 1433804496 /nfs/dbraw/zinc/80/44/96/1433804496.db2.gz MXUMTCYBIVVIGU-QWHCGFSZSA-N 0 1 393.484 3.237 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248468261 1433804996 /nfs/dbraw/zinc/80/49/96/1433804996.db2.gz UANPYXGWXKDEID-UKRRQHHQSA-N 0 1 377.872 3.014 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248477297 1433805487 /nfs/dbraw/zinc/80/54/87/1433805487.db2.gz YRHZZRPROGBUPX-MJGOQNOKSA-N 0 1 390.524 3.128 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000248530094 1433807166 /nfs/dbraw/zinc/80/71/66/1433807166.db2.gz XEIWUHUDYNNDLC-QXAKKESOSA-N 0 1 392.565 3.069 20 0 GGADMN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000248550267 1433807946 /nfs/dbraw/zinc/80/79/46/1433807946.db2.gz KHZQDIJFRWRMDF-IDCNUPLLSA-N 0 1 386.492 3.144 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2Cc2ccccc2)C12CCOCC2 ZINC000248559609 1433808406 /nfs/dbraw/zinc/80/84/06/1433808406.db2.gz FGUIYXJTMHEIQZ-NJDAHSKKSA-N 0 1 386.536 3.132 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC2(CO)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248561295 1433808572 /nfs/dbraw/zinc/80/85/72/1433808572.db2.gz GBZWEGZWZZNBJE-MAUKXSAKSA-N 0 1 397.922 3.324 20 0 GGADMN C[S@](=O)C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000248595335 1433810283 /nfs/dbraw/zinc/81/02/83/1433810283.db2.gz SNNVDNRGZQAZCH-YRTUYQHASA-N 0 1 383.513 3.289 20 0 GGADMN CC[C@H](N[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)[C@H]1CCCO1 ZINC000248605985 1433810959 /nfs/dbraw/zinc/81/09/59/1433810959.db2.gz OZWDZRFPLQPGKL-NNMXDRDESA-N 0 1 396.487 3.320 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000248628971 1433812378 /nfs/dbraw/zinc/81/23/78/1433812378.db2.gz QYYWJPVYNRJITR-LEWJYISDSA-N 0 1 383.488 3.474 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3nc(C)c(C)nc3C)CCN2C2CC2)c1 ZINC000248633631 1433812737 /nfs/dbraw/zinc/81/27/37/1433812737.db2.gz IZHMZOYXOKAPCE-FPOVZHCZSA-N 0 1 380.492 3.118 20 0 GGADMN CC[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000248636070 1433812947 /nfs/dbraw/zinc/81/29/47/1433812947.db2.gz UNYXRIBCKUFTDT-UWWQBHOKSA-N 0 1 394.479 3.359 20 0 GGADMN Cc1nc(Cl)ccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248646425 1433813517 /nfs/dbraw/zinc/81/35/17/1433813517.db2.gz HHYCFXDZUSNSPJ-FUHWJXTLSA-N 0 1 388.899 3.048 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCS[C@H](C)CC3)c2C1 ZINC000248652063 1433813758 /nfs/dbraw/zinc/81/37/58/1433813758.db2.gz BFRJYWHRSOTCQC-HZPDHXFCSA-N 0 1 389.565 3.339 20 0 GGADMN Cc1cc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N(C)C)c(C(C)C)cc1Cl ZINC000248661471 1433814232 /nfs/dbraw/zinc/81/42/32/1433814232.db2.gz FNHHKKDMAKPBMN-YJBOKZPZSA-N 0 1 382.932 3.064 20 0 GGADMN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N[C@H]1CCCc2occc21 ZINC000248661712 1433814319 /nfs/dbraw/zinc/81/43/19/1433814319.db2.gz IIJFKNLCOVZJIF-QUCCMNQESA-N 0 1 383.492 3.247 20 0 GGADMN C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000248667014 1433814503 /nfs/dbraw/zinc/81/45/03/1433814503.db2.gz OTPHDEHAAGDRIK-IAGOWNOFSA-N 0 1 385.533 3.146 20 0 GGADMN C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000248667013 1433814529 /nfs/dbraw/zinc/81/45/29/1433814529.db2.gz OTPHDEHAAGDRIK-DLBZAZTESA-N 0 1 385.533 3.146 20 0 GGADMN C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000248673125 1433814647 /nfs/dbraw/zinc/81/46/47/1433814647.db2.gz VQQQNKDYWSOWJW-PKOBYXMFSA-N 0 1 377.488 3.315 20 0 GGADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000248690764 1433815515 /nfs/dbraw/zinc/81/55/15/1433815515.db2.gz AAEYVTSRQSHFLS-JKSUJKDBSA-N 0 1 395.931 3.155 20 0 GGADMN COc1ccccc1N1CC[C@H]([N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1=O ZINC000248705162 1433816161 /nfs/dbraw/zinc/81/61/61/1433816161.db2.gz ADEHRXMULFQVMJ-LEWJYISDSA-N 0 1 380.488 3.074 20 0 GGADMN COc1ccccc1N1CC[C@H](N(Cc2ccccc2)[C@H](CO)C2CC2)C1=O ZINC000248705162 1433816162 /nfs/dbraw/zinc/81/61/62/1433816162.db2.gz ADEHRXMULFQVMJ-LEWJYISDSA-N 0 1 380.488 3.074 20 0 GGADMN C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000248705172 1433816208 /nfs/dbraw/zinc/81/62/08/1433816208.db2.gz LTVHIEHEVZBHOK-FGTMMUONSA-N 0 1 394.991 3.499 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)c1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000248706087 1433816284 /nfs/dbraw/zinc/81/62/84/1433816284.db2.gz HONSCDBYEJICHD-IIBYNOLFSA-N 0 1 384.476 3.109 20 0 GGADMN CCN(C)[C@@H](C(=O)N[C@H](C)c1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000248706087 1433816285 /nfs/dbraw/zinc/81/62/85/1433816285.db2.gz HONSCDBYEJICHD-IIBYNOLFSA-N 0 1 384.476 3.109 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000248713684 1433816797 /nfs/dbraw/zinc/81/67/97/1433816797.db2.gz BQARQGDRYOCVNU-OXQOHEQNSA-N 0 1 397.544 3.125 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3c4ccccc4CCC[C@H]3C)C2)CC1 ZINC000248711793 1433816827 /nfs/dbraw/zinc/81/68/27/1433816827.db2.gz BKOGTABGRWYBKO-UZKOGDIHSA-N 0 1 384.568 3.122 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000248718762 1433817405 /nfs/dbraw/zinc/81/74/05/1433817405.db2.gz CCGZGNOZWQGBFK-OXJNMPFZSA-N 0 1 392.528 3.411 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248720371 1433817513 /nfs/dbraw/zinc/81/75/13/1433817513.db2.gz CGUXYJAZOSASAN-QUCCMNQESA-N 0 1 394.519 3.062 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000248718767 1433817531 /nfs/dbraw/zinc/81/75/31/1433817531.db2.gz CCGZGNOZWQGBFK-OXQOHEQNSA-N 0 1 392.528 3.411 20 0 GGADMN COc1ccccc1N1CC[C@H](N(CCCO)[C@H]2CCc3ccccc32)C1=O ZINC000248721238 1433817694 /nfs/dbraw/zinc/81/76/94/1433817694.db2.gz GSKTYYDXOFHSJW-FPOVZHCZSA-N 0 1 380.488 3.172 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000248724695 1433817864 /nfs/dbraw/zinc/81/78/64/1433817864.db2.gz CRUIISOIZZPSBV-HTAPYJJXSA-N 0 1 387.483 3.496 20 0 GGADMN COc1cccc(C)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248735687 1433818808 /nfs/dbraw/zinc/81/88/08/1433818808.db2.gz BNMRYZUWGHEUTC-RBUKOAKNSA-N 0 1 383.492 3.008 20 0 GGADMN CC[C@H]1CN(C(=O)NC[C@H](C)CC2(C)OCCO2)CCN1Cc1ccccc1 ZINC000248738664 1433819099 /nfs/dbraw/zinc/81/90/99/1433819099.db2.gz PTTNDUIMHUPJIC-QUCCMNQESA-N 0 1 389.540 3.082 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000248742432 1433819245 /nfs/dbraw/zinc/81/92/45/1433819245.db2.gz IUGRRRLPBNZXGO-AZUAARDMSA-N 0 1 386.467 3.195 20 0 GGADMN CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000248743663 1433819301 /nfs/dbraw/zinc/81/93/01/1433819301.db2.gz CJUMGLYOKLEDOE-UIFIKXQLSA-N 0 1 385.552 3.271 20 0 GGADMN CCC[C@H](NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000248743663 1433819304 /nfs/dbraw/zinc/81/93/04/1433819304.db2.gz CJUMGLYOKLEDOE-UIFIKXQLSA-N 0 1 385.552 3.271 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c2)n[nH]1 ZINC000248743553 1433819394 /nfs/dbraw/zinc/81/93/94/1433819394.db2.gz FHGBICHYHVBIHG-FOIQADDNSA-N 0 1 390.491 3.422 20 0 GGADMN COc1ccc([C@@H]2CCN(CN3C[C@@H](c4cccc(OC)c4)CC3=O)C2)cc1 ZINC000248748929 1433819735 /nfs/dbraw/zinc/81/97/35/1433819735.db2.gz UAAKPFFIHPCTBB-UXHICEINSA-N 0 1 380.488 3.467 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248750401 1433819987 /nfs/dbraw/zinc/81/99/87/1433819987.db2.gz GHQPRMYERLUEBS-GDBMZVCRSA-N 0 1 377.916 3.214 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000248758077 1433820452 /nfs/dbraw/zinc/82/04/52/1433820452.db2.gz LZVLVCAUDSGEIP-BUKVSMQUSA-N 0 1 394.515 3.370 20 0 GGADMN Cc1cc(-c2noc([C@H](C)N3CCC[C@@H](C(=O)NCC4CC4)C3)n2)ccc1F ZINC000248764283 1433820975 /nfs/dbraw/zinc/82/09/75/1433820975.db2.gz NPRLTZFYDASGRB-WMLDXEAASA-N 0 1 386.471 3.483 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccn1 ZINC000248766607 1433821133 /nfs/dbraw/zinc/82/11/33/1433821133.db2.gz OPSOUCDKXMODLN-KZNAEPCWSA-N 0 1 382.508 3.251 20 0 GGADMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000248767872 1433821275 /nfs/dbraw/zinc/82/12/75/1433821275.db2.gz OMYQALJTPSWLMZ-HKUYNNGSSA-N 0 1 381.451 3.032 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccc2ccccc2c1 ZINC000248772706 1433821433 /nfs/dbraw/zinc/82/14/33/1433821433.db2.gz RWVSOGWWDFCSCD-HTAPYJJXSA-N 0 1 393.531 3.255 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1F ZINC000248778167 1433821992 /nfs/dbraw/zinc/82/19/92/1433821992.db2.gz HTLPPVFALQWWQV-OXQOHEQNSA-N 0 1 398.478 3.434 20 0 GGADMN CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccc(Cl)cc1 ZINC000248780804 1433822165 /nfs/dbraw/zinc/82/21/65/1433822165.db2.gz WOQIEBJHLLDYFJ-IEBWSBKVSA-N 0 1 391.943 3.146 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248785182 1433822395 /nfs/dbraw/zinc/82/23/95/1433822395.db2.gz YMSWGCZUQJKXII-GDBMZVCRSA-N 0 1 377.916 3.214 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cc2)C[C@@H](C)O1 ZINC000248787410 1433822578 /nfs/dbraw/zinc/82/25/78/1433822578.db2.gz ZBWJBIXVPYGXJE-JUIKRRPHSA-N 0 1 398.547 3.307 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000248790732 1433822597 /nfs/dbraw/zinc/82/25/97/1433822597.db2.gz SGFYVVFFUGJUIJ-LRQRDZAKSA-N 0 1 382.504 3.444 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000248788075 1433822667 /nfs/dbraw/zinc/82/26/67/1433822667.db2.gz INGFQQCFRMISFB-HZEGPAAWSA-N 0 1 397.519 3.398 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000248795780 1433823095 /nfs/dbraw/zinc/82/30/95/1433823095.db2.gz YNYYMWUOLRBFOL-KURKYZTESA-N 0 1 376.516 3.088 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 ZINC000248805713 1433823207 /nfs/dbraw/zinc/82/32/07/1433823207.db2.gz RDWGFVOSFKSEHC-KNQAVFIVSA-N 0 1 396.487 3.204 20 0 GGADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000248810701 1433823410 /nfs/dbraw/zinc/82/34/10/1433823410.db2.gz CKZYNIMWMQBYCQ-FCEWJHQRSA-N 0 1 396.487 3.046 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248807238 1433823466 /nfs/dbraw/zinc/82/34/66/1433823466.db2.gz RMXLBKPOIAJTOM-ZWKOTPCHSA-N 0 1 389.540 3.316 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)ccc2[nH]1 ZINC000248809852 1433823494 /nfs/dbraw/zinc/82/34/94/1433823494.db2.gz KKOPRNGVLJLMGD-QVKFZJNVSA-N 0 1 390.487 3.052 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C)ccc2[nH]1 ZINC000248809856 1433823517 /nfs/dbraw/zinc/82/35/17/1433823517.db2.gz KKOPRNGVLJLMGD-VFNWGFHPSA-N 0 1 390.487 3.052 20 0 GGADMN COC(=O)[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(OC)c(O)c1 ZINC000248826699 1433824259 /nfs/dbraw/zinc/82/42/59/1433824259.db2.gz HEQFXQOVJCKXNF-RRMPHLOHSA-N 0 1 384.476 3.040 20 0 GGADMN COC(=O)[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(OC)c(O)c1 ZINC000248826699 1433824260 /nfs/dbraw/zinc/82/42/60/1433824260.db2.gz HEQFXQOVJCKXNF-RRMPHLOHSA-N 0 1 384.476 3.040 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248831030 1433824532 /nfs/dbraw/zinc/82/45/32/1433824532.db2.gz YSXXORVOAARMCN-SJLPKXTDSA-N 0 1 383.492 3.038 20 0 GGADMN CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248834094 1433824758 /nfs/dbraw/zinc/82/47/58/1433824758.db2.gz JDAXYZWSHHGGQX-HNAYVOBHSA-N 0 1 380.916 3.129 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)c2C1 ZINC000248833744 1433824808 /nfs/dbraw/zinc/82/48/08/1433824808.db2.gz MVIBFZSSHYAVDY-UQASEVPWSA-N 0 1 399.535 3.059 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000248873417 1433826855 /nfs/dbraw/zinc/82/68/55/1433826855.db2.gz BMULBLGXECNGEJ-VQIMIIECSA-N 0 1 384.476 3.300 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CCN1CCOC ZINC000248877383 1433827185 /nfs/dbraw/zinc/82/71/85/1433827185.db2.gz RGGRDMZNUUGLKL-HBMCJLEFSA-N 0 1 389.540 3.049 20 0 GGADMN Cn1cc([C@@H]2CSCCN2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000248877441 1433827253 /nfs/dbraw/zinc/82/72/53/1433827253.db2.gz OGNGQCCPJPEJHS-WBVHZDCISA-N 0 1 380.558 3.157 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2OCc2ccccn2)C[C@@H]1C ZINC000248878392 1433827341 /nfs/dbraw/zinc/82/73/41/1433827341.db2.gz DMXCAECOLNDMKX-OXJNMPFZSA-N 0 1 384.476 3.300 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1Cl ZINC000248899441 1433828503 /nfs/dbraw/zinc/82/85/03/1433828503.db2.gz UHFZTNZLEBBAJW-CRAIPNDOSA-N 0 1 385.895 3.224 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC000248900811 1433828677 /nfs/dbraw/zinc/82/86/77/1433828677.db2.gz AECCLVZRAOJWNU-USXIJHARSA-N 0 1 387.446 3.158 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248907811 1433828827 /nfs/dbraw/zinc/82/88/27/1433828827.db2.gz XCPNTZNQLVFHDU-ZBFHGGJFSA-N 0 1 378.398 3.492 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000248905153 1433828875 /nfs/dbraw/zinc/82/88/75/1433828875.db2.gz UUJKEBSLLNEZOM-HTAPYJJXSA-N 0 1 387.483 3.415 20 0 GGADMN O=C(NCc1ccc(C(F)F)cc1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000248911668 1433829012 /nfs/dbraw/zinc/82/90/12/1433829012.db2.gz VMABPTIEOYDGBI-OALUTQOASA-N 0 1 389.446 3.059 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(Cl)c1 ZINC000248910119 1433829047 /nfs/dbraw/zinc/82/90/47/1433829047.db2.gz VFMWHVZWOFXHOG-DNVCBOLYSA-N 0 1 385.895 3.224 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248929911 1433829768 /nfs/dbraw/zinc/82/97/68/1433829768.db2.gz XQFWIFKTBLBVKP-DYESRHJHSA-N 0 1 395.503 3.051 20 0 GGADMN O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000248955806 1433830583 /nfs/dbraw/zinc/83/05/83/1433830583.db2.gz CZGFCAYLGRWZJM-BHIFYINESA-N 0 1 385.552 3.152 20 0 GGADMN C[C@H](O)[C@@](C)(CNC(=O)NC[C@H](c1cccs1)N(C)C)Cc1ccccc1 ZINC000248979450 1433831238 /nfs/dbraw/zinc/83/12/38/1433831238.db2.gz SCSJZZATHZWKNS-YRISNDGFSA-N 0 1 389.565 3.280 20 0 GGADMN COC(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C[C@@H]1C ZINC000248975514 1433831245 /nfs/dbraw/zinc/83/12/45/1433831245.db2.gz DJOQZCHJQVGBER-ZGPJWRFFSA-N 0 1 386.536 3.262 20 0 GGADMN COC(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C[C@H]1C ZINC000248974967 1433831335 /nfs/dbraw/zinc/83/13/35/1433831335.db2.gz DJOQZCHJQVGBER-BZLDKRAPSA-N 0 1 386.536 3.262 20 0 GGADMN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000248982770 1433831452 /nfs/dbraw/zinc/83/14/52/1433831452.db2.gz JGKGHBXKNRYWQB-XOKHGSTOSA-N 0 1 379.476 3.120 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(C(F)(F)F)c1 ZINC000248986435 1433831469 /nfs/dbraw/zinc/83/14/69/1433831469.db2.gz KCSJNIWPJHLROV-HZMVEIRTSA-N 0 1 399.457 3.421 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248982301 1433831504 /nfs/dbraw/zinc/83/15/04/1433831504.db2.gz FUNKQDBVUFROMJ-XZOAIXRZSA-N 0 1 378.423 3.189 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCSC[C@H](C)C2)c1 ZINC000249023938 1433832400 /nfs/dbraw/zinc/83/24/00/1433832400.db2.gz LDHHWHWQAGEDAE-QAPCUYQASA-N 0 1 378.538 3.052 20 0 GGADMN C[C@@H](C(=O)NC[C@H](C)N1CCc2ccccc2C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000249020712 1433832451 /nfs/dbraw/zinc/83/24/51/1433832451.db2.gz KTACGROHHFVQIA-BBWFWOEESA-N 0 1 389.540 3.099 20 0 GGADMN O=C1[C@H](N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCN1c1c(F)cccc1F ZINC000249017558 1433832461 /nfs/dbraw/zinc/83/24/61/1433832461.db2.gz KGPIRUUNCJVEKK-SCTDSRPQSA-N 0 1 394.368 3.468 20 0 GGADMN CO[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000249034546 1433832714 /nfs/dbraw/zinc/83/27/14/1433832714.db2.gz MFYQOFOCEXAYRG-IXDOHACOSA-N 0 1 385.430 3.146 20 0 GGADMN COc1cccc2c1CC[C@H](Nc1cccc(CN3CCC[C@H]3C(N)=O)c1)C2 ZINC000249034183 1433832775 /nfs/dbraw/zinc/83/27/75/1433832775.db2.gz MKSXORFUECRCRI-FPOVZHCZSA-N 0 1 379.504 3.114 20 0 GGADMN CC[C@H]1CN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CCN1C[C@H](C)O ZINC000249055838 1433833455 /nfs/dbraw/zinc/83/34/55/1433833455.db2.gz DFFBKNOPKVSJFU-YJBOKZPZSA-N 0 1 398.469 3.332 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000249068448 1433833706 /nfs/dbraw/zinc/83/37/06/1433833706.db2.gz ZVCNDLKIRRLMFL-KBRIMQKVSA-N 0 1 387.446 3.158 20 0 GGADMN COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249073644 1433834001 /nfs/dbraw/zinc/83/40/01/1433834001.db2.gz AMEMVKVHEAGYHY-PKOBYXMFSA-N 0 1 391.556 3.269 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000249075521 1433834088 /nfs/dbraw/zinc/83/40/88/1433834088.db2.gz QZHMZFRGKBVVPU-NXXSPTCGSA-N 0 1 376.403 3.420 20 0 GGADMN COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249073641 1433834096 /nfs/dbraw/zinc/83/40/96/1433834096.db2.gz AMEMVKVHEAGYHY-IEBWSBKVSA-N 0 1 391.556 3.269 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H](C(C)(C)C)CC3)C2)CC1 ZINC000249076670 1433834119 /nfs/dbraw/zinc/83/41/19/1433834119.db2.gz OAASEZLHFZRUPC-VAMGGRTRSA-N 0 1 378.605 3.403 20 0 GGADMN CCN(C[C@H]1CCN(CN2CC[C@](C)(c3ccccc3)C2=O)C1)CC(F)(F)F ZINC000249086477 1433834495 /nfs/dbraw/zinc/83/44/95/1433834495.db2.gz FPIKANPTHRZSBH-YLJYHZDGSA-N 0 1 397.485 3.340 20 0 GGADMN CC[C@@]1(C)CN(C(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)CCO1 ZINC000249085271 1433834513 /nfs/dbraw/zinc/83/45/13/1433834513.db2.gz MKQSNWVHGDVNMZ-ZHRRBRCNSA-N 0 1 387.524 3.013 20 0 GGADMN CCSc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1 ZINC000249084878 1433834556 /nfs/dbraw/zinc/83/45/56/1433834556.db2.gz DZJPHEIKWQMENB-HZPDHXFCSA-N 0 1 379.570 3.346 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)C1(C)C ZINC000249092272 1433834923 /nfs/dbraw/zinc/83/49/23/1433834923.db2.gz WJTMMZSFBLZIHY-AUYISRGKSA-N 0 1 380.554 3.205 20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249091673 1433834938 /nfs/dbraw/zinc/83/49/38/1433834938.db2.gz SUNFVOSGLMZXOY-GMVOTWDCSA-N 0 1 390.430 3.098 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CCSC[C@@H](C)C2)c1 ZINC000249098100 1433835185 /nfs/dbraw/zinc/83/51/85/1433835185.db2.gz UINCNIJVFZGHHY-HOTGVXAUSA-N 0 1 377.554 3.181 20 0 GGADMN CCC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccc(F)cc1F ZINC000249099332 1433835194 /nfs/dbraw/zinc/83/51/94/1433835194.db2.gz JGWWDUNUSLWZBD-RDTXWAMCSA-N 0 1 383.483 3.293 20 0 GGADMN CC[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1OC(F)F ZINC000249100605 1433835271 /nfs/dbraw/zinc/83/52/71/1433835271.db2.gz JNRUNJAAXHFGGB-HOCLYGCPSA-N 0 1 399.482 3.226 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000249105571 1433835397 /nfs/dbraw/zinc/83/53/97/1433835397.db2.gz VIEAOOIEBSOCCA-ZLXGRDSLSA-N 0 1 399.878 3.133 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000249108665 1433835569 /nfs/dbraw/zinc/83/55/69/1433835569.db2.gz APTJWPWCSWWUGZ-HLLBOEOZSA-N 0 1 387.446 3.083 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000249113600 1433835856 /nfs/dbraw/zinc/83/58/56/1433835856.db2.gz NKTLRASWKOGURE-IAGOWNOFSA-N 0 1 377.529 3.021 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(F)cc1F ZINC000249116313 1433835951 /nfs/dbraw/zinc/83/59/51/1433835951.db2.gz OEMMTNIKFOBOJC-KSSFIOAISA-N 0 1 383.483 3.149 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCS[C@H](C)CC2)c(OC)c1 ZINC000249130936 1433836717 /nfs/dbraw/zinc/83/67/17/1433836717.db2.gz XYXCKPDZBZWBSA-QAPCUYQASA-N 0 1 378.538 3.195 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000249136019 1433836877 /nfs/dbraw/zinc/83/68/77/1433836877.db2.gz UOTALYJHAHDCID-KXBFYZLASA-N 0 1 377.504 3.154 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000249143385 1433837358 /nfs/dbraw/zinc/83/73/58/1433837358.db2.gz WUBTXPQJPUMBRH-ZIAGYGMSSA-N 0 1 387.446 3.253 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2CN[C@@H](c2ncc[nH]2)c2cccnc2)C[C@@H](C)O1 ZINC000249162174 1433837900 /nfs/dbraw/zinc/83/79/00/1433837900.db2.gz ZINOJAGXZOEAQS-JBYIUTFZSA-N 0 1 391.519 3.293 20 0 GGADMN COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000249173008 1433838010 /nfs/dbraw/zinc/83/80/10/1433838010.db2.gz XTJIVJWFRYQBST-IEBWSBKVSA-N 0 1 391.556 3.269 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)[nH]c1-c1ccccc1 ZINC000249196164 1433838693 /nfs/dbraw/zinc/83/86/93/1433838693.db2.gz BTCNOESYYPLLLA-UNEWFSDZSA-N 0 1 389.521 3.242 20 0 GGADMN CCN(CC)C(=O)[C@H](C)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000249248621 1433839702 /nfs/dbraw/zinc/83/97/02/1433839702.db2.gz XBXHBBLLWSSHLS-UONOGXRCSA-N 0 1 397.445 3.184 20 0 GGADMN CCN(C(=O)N[C@H](C)c1nnc2ccccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249294435 1433840773 /nfs/dbraw/zinc/84/07/73/1433840773.db2.gz LUVLRUCQCKXDHK-IEBWSBKVSA-N 0 1 392.507 3.096 20 0 GGADMN C[C@H](O)CN1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)[C@@H](C)C1 ZINC000249301886 1433840842 /nfs/dbraw/zinc/84/08/42/1433840842.db2.gz SISVFTOFDNECQN-IRXDYDNUSA-N 0 1 389.927 3.201 20 0 GGADMN O=C1[C@H](N2CC[C@H]3OCCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000249319729 1433841242 /nfs/dbraw/zinc/84/12/42/1433841242.db2.gz QGIHBVSIYBGEDD-IAOVAPTHSA-N 0 1 379.298 3.055 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CCN1CC(C)(C)O ZINC000249383007 1433842219 /nfs/dbraw/zinc/84/22/19/1433842219.db2.gz PJRUXBUEFNMOGX-COXVUDFISA-N 0 1 384.442 3.113 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000249389157 1433842341 /nfs/dbraw/zinc/84/23/41/1433842341.db2.gz QKJWAQBOVNDVJV-XOKHGSTOSA-N 0 1 384.442 3.113 20 0 GGADMN CCCCN(C)c1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1 ZINC000249394717 1433842511 /nfs/dbraw/zinc/84/25/11/1433842511.db2.gz RKLJPINROZDPFS-QGZVFWFLSA-N 0 1 376.545 3.232 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCN1CC(C)(C)O ZINC000249403358 1433842845 /nfs/dbraw/zinc/84/28/45/1433842845.db2.gz TYAGDBHAZTWWQT-BMFZPTHFSA-N 0 1 384.442 3.113 20 0 GGADMN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249409863 1433843106 /nfs/dbraw/zinc/84/31/06/1433843106.db2.gz CRTWQHSRQNVFHD-HKUYNNGSSA-N 0 1 388.533 3.335 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249414508 1433843265 /nfs/dbraw/zinc/84/32/65/1433843265.db2.gz VVKIWKBOUGBDOJ-OKZBNKHCSA-N 0 1 375.557 3.304 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000249429424 1433843593 /nfs/dbraw/zinc/84/35/93/1433843593.db2.gz 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COc1ccccc1/C(C)=C\C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000255073343 1433875802 /nfs/dbraw/zinc/87/58/02/1433875802.db2.gz AHFGDSCLQRRHFK-TURXBZHESA-N 0 1 394.515 3.098 20 0 GGADMN C/C(=C/C(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000255076616 1433875896 /nfs/dbraw/zinc/87/58/96/1433875896.db2.gz MBKHWNGYZVUNSN-RTYFKUQISA-N 0 1 382.426 3.289 20 0 GGADMN CCC[C@H](NC(=O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000255276175 1433879139 /nfs/dbraw/zinc/87/91/39/1433879139.db2.gz JULCHURYPIVJOH-MXNKGDRCSA-N 0 1 387.568 3.218 20 0 GGADMN C/C(=C/C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccccc1OC(F)F ZINC000255355041 1433881023 /nfs/dbraw/zinc/88/10/23/1433881023.db2.gz QNRCVVPKFOPPEQ-VZVUQDNOSA-N 0 1 394.462 3.262 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C=C(C)Cc3ccccc3OC)n2)cc1 ZINC000255429354 1433882815 /nfs/dbraw/zinc/88/28/15/1433882815.db2.gz YBFDJFHZEDTJFD-FYWRMAATSA-N 0 1 392.459 3.294 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)/C=C(\C)Cc3ccccc3OC)n[nH]2)cc1 ZINC000255429354 1433882816 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C/C=C\c1ccc(OC[C@H](O)CN2CCc3ccccc3[C@H]2CO)c(OC)c1 ZINC000255758716 1433889114 /nfs/dbraw/zinc/88/91/14/1433889114.db2.gz FZXKSABLVVMNAD-HLHFGPBRSA-N 0 1 383.488 3.060 20 0 GGADMN Cc1ccc(OC[C@@H](O)CN2CCN(C/C=C\c3ccccc3)CC2)c(C)c1 ZINC000255774796 1433889510 /nfs/dbraw/zinc/88/95/10/1433889510.db2.gz PGZCHTFIJCGWOV-KUSOGIATSA-N 0 1 380.532 3.374 20 0 GGADMN C/C(=C/C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1cccc(Cl)c1 ZINC000255846949 1433890263 /nfs/dbraw/zinc/89/02/63/1433890263.db2.gz ROWDRMARYXBKLE-VBKFSLOCSA-N 0 1 384.911 3.207 20 0 GGADMN Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCCN(C)CC3)[C@@H]2c2cccs2)cc1 ZINC000261370011 1433895340 /nfs/dbraw/zinc/89/53/40/1433895340.db2.gz UYBQZJWQBNPWHK-GHTZIAJQSA-N 0 1 397.544 3.315 20 0 GGADMN O=C(CN1CCC(OC2CCCCC2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000261378401 1433895477 /nfs/dbraw/zinc/89/54/77/1433895477.db2.gz AAYUXXORLHPXIJ-UHFFFAOYSA-N 0 1 399.579 3.145 20 0 GGADMN COc1cccc(OC)c1OC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000261373207 1433895507 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NC1(c2noc(C3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)CCCC1 ZINC000261636469 1433897929 /nfs/dbraw/zinc/89/79/29/1433897929.db2.gz CXTGNUFIXSTTQA-UHFFFAOYSA-N 0 1 376.407 3.096 20 0 GGADMN NC1(c2noc(-c3cc(F)c(F)cc3I)n2)CCCC1 ZINC000261636671 1433897963 /nfs/dbraw/zinc/89/79/63/1433897963.db2.gz DABGGHIAXLXMBP-UHFFFAOYSA-N 0 1 391.159 3.347 20 0 GGADMN NC1(c2noc(-c3cccc(S(=O)(=O)Cc4ccccc4)c3)n2)CCCC1 ZINC000261671194 1433898623 /nfs/dbraw/zinc/89/86/23/1433898623.db2.gz GHPJRPXAHFKRGX-UHFFFAOYSA-N 0 1 383.473 3.439 20 0 GGADMN NC1(c2noc(Cn3c(COc4ccccc4)nc4ccccc43)n2)CCC1 ZINC000261673045 1433898658 /nfs/dbraw/zinc/89/86/58/1433898658.db2.gz GJPPISGBWFYRDM-UHFFFAOYSA-N 0 1 375.432 3.385 20 0 GGADMN C[C@@](N)(C(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000261672583 1433898735 /nfs/dbraw/zinc/89/87/35/1433898735.db2.gz GCXDOLASIMOEFU-HKUYNNGSSA-N 0 1 388.309 3.336 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@H]2CCCN(C(=O)[C@@H](C)CC)C2)cc1 ZINC000261678432 1433898912 /nfs/dbraw/zinc/89/89/12/1433898912.db2.gz BTGDYGDVVZPSMK-YYWHXJBOSA-N 0 1 385.552 3.007 20 0 GGADMN O=C(CCc1nc(-c2ccoc2)no1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261692037 1433899173 /nfs/dbraw/zinc/89/91/73/1433899173.db2.gz HQACJSZPPULCHX-MRXNPFEDSA-N 0 1 386.839 3.089 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000261693813 1433899394 /nfs/dbraw/zinc/89/93/94/1433899394.db2.gz CMCPEFUNPVXYBZ-NRFANRHFSA-N 0 1 377.488 3.163 20 0 GGADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000261702872 1433899572 /nfs/dbraw/zinc/89/95/72/1433899572.db2.gz DDLFVVSPEURVKE-BVSLBCMMSA-N 0 1 393.487 3.359 20 0 GGADMN NC1(c2noc(Cc3csc(NC(=O)Cc4cccs4)n3)n2)CCCC1 ZINC000261722549 1433899940 /nfs/dbraw/zinc/89/99/40/1433899940.db2.gz JQXKLKIRJDHDHV-UHFFFAOYSA-N 0 1 389.506 3.088 20 0 GGADMN NC1(c2noc(-c3nn(Cc4ccccc4)c(=O)c4ccccc43)n2)CCCC1 ZINC000261744800 1433901249 /nfs/dbraw/zinc/90/12/49/1433901249.db2.gz LGSWEACCIOLOGD-UHFFFAOYSA-N 0 1 387.443 3.223 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000261755066 1433901509 /nfs/dbraw/zinc/90/15/09/1433901509.db2.gz NRYVRURHGXZJEK-DHIUTWEWSA-N 0 1 393.531 3.298 20 0 GGADMN NC1(c2noc(Cn3cnc4scc(-c5cccs5)c4c3=O)n2)CCCC1 ZINC000261752944 1433901614 /nfs/dbraw/zinc/90/16/14/1433901614.db2.gz LWQLKECCZAMHGD-UHFFFAOYSA-N 0 1 399.501 3.346 20 0 GGADMN COc1ccc2c(c1)C[C@H](C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)CO2 ZINC000261779895 1433903185 /nfs/dbraw/zinc/90/31/85/1433903185.db2.gz GBLNFOORVWXFDE-QFBILLFUSA-N 0 1 386.879 3.073 20 0 GGADMN Cc1c2cc(Br)ccc2oc(=O)c1-c1nc(C2(N)CCC2)no1 ZINC000261779341 1433903443 /nfs/dbraw/zinc/90/34/43/1433903443.db2.gz NSTSNCOVOOELTE-UHFFFAOYSA-N 0 1 376.210 3.252 20 0 GGADMN CO[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000261781458 1433903649 /nfs/dbraw/zinc/90/36/49/1433903649.db2.gz PHPYZOVZEQUVOP-FUHWJXTLSA-N 0 1 395.272 3.266 20 0 GGADMN CC(C)n1ncc2cc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)cnc21 ZINC000261801575 1433904715 /nfs/dbraw/zinc/90/47/15/1433904715.db2.gz GYUSLIMPMVNLRU-SFHVURJKSA-N 0 1 383.883 3.452 20 0 GGADMN NC1(c2noc([C@H]3CC(=O)N(c4ccc5c(c4)Cc4ccccc4-5)C3)n2)CCC1 ZINC000261814278 1433905516 /nfs/dbraw/zinc/90/55/16/1433905516.db2.gz QBVASQJHKDVJGC-INIZCTEOSA-N 0 1 386.455 3.499 20 0 GGADMN Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000261840443 1433906397 /nfs/dbraw/zinc/90/63/97/1433906397.db2.gz KYJDJTXIZJAILU-MRXNPFEDSA-N 0 1 387.505 3.124 20 0 GGADMN COCc1cc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)ccc1F ZINC000261844806 1433906546 /nfs/dbraw/zinc/90/65/46/1433906546.db2.gz VEYGQXDCQSMRFC-SFHVURJKSA-N 0 1 395.272 3.225 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)C[C@@H](C)NC(=O)C2CCCCC2)cc1 ZINC000261858685 1433907675 /nfs/dbraw/zinc/90/76/75/1433907675.db2.gz WFCZRWKPHUOKDL-UTKZUKDTSA-N 0 1 385.552 3.197 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000261871869 1433908114 /nfs/dbraw/zinc/90/81/14/1433908114.db2.gz XMQLLMILIPKVGJ-NRFANRHFSA-N 0 1 389.503 3.233 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000261867145 1433908310 /nfs/dbraw/zinc/90/83/10/1433908310.db2.gz SQLQVGWULTXKIR-IBGZPJMESA-N 0 1 385.895 3.267 20 0 GGADMN CCCN(CCC)S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000261870054 1433908399 /nfs/dbraw/zinc/90/83/99/1433908399.db2.gz VCKDLIMKAOOMEW-UHFFFAOYSA-N 0 1 392.525 3.275 20 0 GGADMN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261878707 1433908956 /nfs/dbraw/zinc/90/89/56/1433908956.db2.gz UKCJMKQIAOWJAI-AEFFLSMTSA-N 0 1 387.842 3.078 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1CCCc2cc(N)ccc21)c1ccc(Br)cc1 ZINC000261890836 1433910148 /nfs/dbraw/zinc/91/01/48/1433910148.db2.gz VECQQUHMFKKVDZ-IEBWSBKVSA-N 0 1 388.309 3.399 20 0 GGADMN [NH3+]C1(c2noc(-c3cccc([N-]S(=O)(=O)c4ccccc4)c3)n2)CCCC1 ZINC000261900253 1433910637 /nfs/dbraw/zinc/91/06/37/1433910637.db2.gz YMLDGMRKAOANFX-UHFFFAOYSA-N 0 1 384.461 3.265 20 0 GGADMN CCCc1noc(CCCC(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)n1 ZINC000261901882 1433911069 /nfs/dbraw/zinc/91/10/69/1433911069.db2.gz WQUGZXWXBVENHB-MRXNPFEDSA-N 0 1 376.888 3.171 20 0 GGADMN Cc1nn(C)c2nc(C)c(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)cc12 ZINC000261915817 1433912426 /nfs/dbraw/zinc/91/24/26/1433912426.db2.gz YBYXBVOOWGZAGL-GOSISDBHSA-N 0 1 383.883 3.025 20 0 GGADMN NC1(c2noc([C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)n2)CCC1 ZINC000261924078 1433912998 /nfs/dbraw/zinc/91/29/98/1433912998.db2.gz KUVIWGUGALKXMZ-LBPRGKRZSA-N 0 1 392.406 3.029 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000261924546 1433913818 /nfs/dbraw/zinc/91/38/18/1433913818.db2.gz IYERPRJXFYPAMJ-KUHUBIRLSA-N 0 1 395.528 3.468 20 0 GGADMN O=C(c1cccc(N2CCCNC2=O)c1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261935619 1433914169 /nfs/dbraw/zinc/91/41/69/1433914169.db2.gz IXUDNELJXRJXSR-LJQANCHMSA-N 0 1 398.894 3.046 20 0 GGADMN NC1(c2noc([C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)n2)CCCC1 ZINC000261942848 1433914950 /nfs/dbraw/zinc/91/49/50/1433914950.db2.gz MWHMLLTURMVEHH-ZDUSSCGKSA-N 0 1 392.406 3.376 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000261948116 1433915607 /nfs/dbraw/zinc/91/56/07/1433915607.db2.gz LHISKGAJRBKBLW-GOSISDBHSA-N 0 1 384.476 3.062 20 0 GGADMN COc1cccc(CO[C@@H](C)C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000261987823 1433919526 /nfs/dbraw/zinc/91/95/26/1433919526.db2.gz MOQGDJGZDUKICU-YWZLYKJASA-N 0 1 388.895 3.427 20 0 GGADMN NC(=O)N[C@@H](Cc1nc(C2(N)CCC2)no1)c1cccc(Oc2ccccc2)c1 ZINC000261997120 1433920810 /nfs/dbraw/zinc/92/08/10/1433920810.db2.gz SZJBCKLWYXHCAQ-KRWDZBQOSA-N 0 1 393.447 3.152 20 0 GGADMN CN(C)C(=O)Nc1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000262010123 1433921466 /nfs/dbraw/zinc/92/14/66/1433921466.db2.gz NZSSHTSUEXJREA-GOSISDBHSA-N 0 1 386.883 3.220 20 0 GGADMN C[C@@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)NC(=O)c1ccccc1 ZINC000262011694 1433921653 /nfs/dbraw/zinc/92/16/53/1433921653.db2.gz OCOAANJSXJGTSO-KXBFYZLASA-N 0 1 385.895 3.022 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[C@H]2COCCN2)c2ccc(F)cc2Cl)cc1 ZINC000262015569 1433922148 /nfs/dbraw/zinc/92/21/48/1433922148.db2.gz CILLFZCYOPIDIK-OXJNMPFZSA-N 0 1 376.859 3.372 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[C@@H]2COCCN2)c2ccc(F)cc2Cl)cc1 ZINC000262015572 1433922177 /nfs/dbraw/zinc/92/21/77/1433922177.db2.gz CILLFZCYOPIDIK-UZLBHIALSA-N 0 1 376.859 3.372 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1 ZINC000262035850 1433923573 /nfs/dbraw/zinc/92/35/73/1433923573.db2.gz XSRADFJJONNHBZ-UHFFFAOYSA-N 0 1 384.461 3.184 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cc(=O)[nH]c3cc(F)ccc32)cc1 ZINC000262040769 1433923584 /nfs/dbraw/zinc/92/35/84/1433923584.db2.gz TZPMEEZHCRKVGY-FQEVSTJZSA-N 0 1 379.435 3.429 20 0 GGADMN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1 ZINC000262052649 1433924726 /nfs/dbraw/zinc/92/47/26/1433924726.db2.gz ZTEVKDRBTIGMFK-UHFFFAOYSA-N 0 1 383.473 3.357 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 ZINC000262055442 1433925009 /nfs/dbraw/zinc/92/50/09/1433925009.db2.gz VJHCEKNAFDZWBP-RBUKOAKNSA-N 0 1 385.533 3.051 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000262071723 1433925718 /nfs/dbraw/zinc/92/57/18/1433925718.db2.gz WVYLEIHMZCWXPO-OAQYLSRUSA-N 0 1 377.488 3.384 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262072600 1433925756 /nfs/dbraw/zinc/92/57/56/1433925756.db2.gz DDDCWSKLHLQVRH-HYFFOGBASA-N 0 1 396.491 3.003 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262109504 1433927218 /nfs/dbraw/zinc/92/72/18/1433927218.db2.gz IKNBWJGJHCKAPX-AUSJPIAWSA-N 0 1 391.537 3.384 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cc3c([nH]c2=O)CCCCC3)cc1 ZINC000262143947 1433928640 /nfs/dbraw/zinc/92/86/40/1433928640.db2.gz FHOACKYVSWGURW-OAQYLSRUSA-N 0 1 379.504 3.405 20 0 GGADMN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262150695 1433928754 /nfs/dbraw/zinc/92/87/54/1433928754.db2.gz XLAUAGJVAASXCD-PXNSSMCTSA-N 0 1 397.906 3.404 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c2)cs1 ZINC000262167867 1433929560 /nfs/dbraw/zinc/92/95/60/1433929560.db2.gz OVGRYLHEEIAANT-MGPUTAFESA-N 0 1 385.489 3.244 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000262212257 1433930923 /nfs/dbraw/zinc/93/09/23/1433930923.db2.gz UICZJADKQCWJKR-UOQCWDFBSA-N 0 1 384.520 3.318 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)C[C@H]2COCCN2)n(Cc2ccccc2)n1 ZINC000262219555 1433931190 /nfs/dbraw/zinc/93/11/90/1433931190.db2.gz OZIBKJSMTOLMOX-IBGZPJMESA-N 0 1 390.487 3.224 20 0 GGADMN O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262237736 1433932101 /nfs/dbraw/zinc/93/21/01/1433932101.db2.gz REVSFLKGWUSJDK-HRAATJIYSA-N 0 1 399.516 3.206 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1NCCc2ccccc21 ZINC000262260370 1433932816 /nfs/dbraw/zinc/93/28/16/1433932816.db2.gz JJHRBWPNKHIKPD-QGZVFWFLSA-N 0 1 384.423 3.012 20 0 GGADMN COC[C@H](N)C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC000262271326 1433933068 /nfs/dbraw/zinc/93/30/68/1433933068.db2.gz KKNVBROKZWBDDI-SFHVURJKSA-N 0 1 394.924 3.101 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000262277349 1433933463 /nfs/dbraw/zinc/93/34/63/1433933463.db2.gz UASGZRQMBMAWMF-OAQYLSRUSA-N 0 1 377.488 3.163 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000262286544 1433933727 /nfs/dbraw/zinc/93/37/27/1433933727.db2.gz VLJJIIDCPVKTRF-RBBKRZOGSA-N 0 1 391.515 3.313 20 0 GGADMN Cc1cc([C@H](NC(=O)C[C@H]2COCCN2)c2ccccc2Cl)ccc1F ZINC000262308715 1433934269 /nfs/dbraw/zinc/93/42/69/1433934269.db2.gz BOGUEOIAKJXBMR-YWZLYKJASA-N 0 1 376.859 3.372 20 0 GGADMN Cc1cc([C@@H](NC(=O)C[C@H]2COCCN2)c2ccccc2Cl)ccc1F ZINC000262308713 1433934377 /nfs/dbraw/zinc/93/43/77/1433934377.db2.gz BOGUEOIAKJXBMR-MGPUTAFESA-N 0 1 376.859 3.372 20 0 GGADMN Cc1nc2ccccc2n1Cc1cc(NC(=O)C[C@@H]2COCCN2)ccc1Cl ZINC000262314355 1433934610 /nfs/dbraw/zinc/93/46/10/1433934610.db2.gz DFBVXCCJKJXQOV-QGZVFWFLSA-N 0 1 398.894 3.363 20 0 GGADMN CN[C@H](C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1)c1cnn(C)c1 ZINC000262330452 1433935356 /nfs/dbraw/zinc/93/53/56/1433935356.db2.gz GRGLDMUQRTYUSY-SFHVURJKSA-N 0 1 395.334 3.469 20 0 GGADMN CC(C)[N@H+](CCS(=O)(=O)CC(=O)[O-])Cc1ccc(-c2ccccc2F)s1 ZINC000262338377 1433935546 /nfs/dbraw/zinc/93/55/46/1433935546.db2.gz XWWFCLVGJUOWBF-UHFFFAOYSA-N 0 1 399.509 3.264 20 0 GGADMN CC(C)[N@@H+](CCS(=O)(=O)CC(=O)[O-])Cc1ccc(-c2ccccc2F)s1 ZINC000262338377 1433935550 /nfs/dbraw/zinc/93/55/50/1433935550.db2.gz XWWFCLVGJUOWBF-UHFFFAOYSA-N 0 1 399.509 3.264 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000262347654 1433935854 /nfs/dbraw/zinc/93/58/54/1433935854.db2.gz IPQYUBKALZHGQH-OAHLLOKOSA-N 0 1 380.370 3.161 20 0 GGADMN CSc1cccc([C@@H](NC(=O)C[C@H]2COCCN2)c2ccc(F)c(F)c2)c1 ZINC000262354297 1433936145 /nfs/dbraw/zinc/93/61/45/1433936145.db2.gz GPILVRKICGXSBT-MGPUTAFESA-N 0 1 392.471 3.271 20 0 GGADMN CN[C@@H](C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262441615 1433939321 /nfs/dbraw/zinc/93/93/21/1433939321.db2.gz VAFSJRTWBYXQKV-RHSMWYFYSA-N 0 1 397.306 3.057 20 0 GGADMN O=C(C[C@H]1COCCN1)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000262489805 1433941066 /nfs/dbraw/zinc/94/10/66/1433941066.db2.gz HNCIPAPAZJCHPF-ORAYPTAESA-N 0 1 380.822 3.202 20 0 GGADMN CSc1cccc([C@H](NC(=O)C[C@@H]2COCCN2)c2cc(F)ccc2F)c1 ZINC000262529132 1433942558 /nfs/dbraw/zinc/94/25/58/1433942558.db2.gz LTESXTWKGNKWNS-QRWLVFNGSA-N 0 1 392.471 3.271 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c(C)c1 ZINC000262540673 1433942985 /nfs/dbraw/zinc/94/29/85/1433942985.db2.gz NEQNIJOWGLJZBF-FQEVSTJZSA-N 0 1 378.476 3.147 20 0 GGADMN COc1ccc2ccccc2c1CN(C(=O)C[C@H]1COCCN1)C1CCCC1 ZINC000262558603 1433943480 /nfs/dbraw/zinc/94/34/80/1433943480.db2.gz QEPLKXSXXWINDV-SFHVURJKSA-N 0 1 382.504 3.498 20 0 GGADMN CCOc1ccc(C2(CNC(=O)[C@@H](N)c3ccc(C)cc3)CCOCC2)cc1 ZINC000262612299 1433946190 /nfs/dbraw/zinc/94/61/90/1433946190.db2.gz BZPLUTMLRWIONQ-NRFANRHFSA-N 0 1 382.504 3.258 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000262622962 1433946819 /nfs/dbraw/zinc/94/68/19/1433946819.db2.gz FIWKVBOZZOHFCY-LJQANCHMSA-N 0 1 385.895 3.023 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[NH2+]CC3CC3)ccc2C)c1 ZINC000262644139 1433947417 /nfs/dbraw/zinc/94/74/17/1433947417.db2.gz RQRFFCLDIRUCIM-UHFFFAOYSA-N 0 1 387.505 3.042 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 ZINC000262647026 1433947636 /nfs/dbraw/zinc/94/76/36/1433947636.db2.gz KHEQIMILJVTWJH-SFHVURJKSA-N 0 1 399.541 3.256 20 0 GGADMN COc1cc2[nH]c(CCCNC(=O)[C@@H](N)c3ccc(C)cc3)cc2c(OC)c1 ZINC000262649030 1433947722 /nfs/dbraw/zinc/94/77/22/1433947722.db2.gz KSKZXNNXIFQOOP-NRFANRHFSA-N 0 1 381.476 3.242 20 0 GGADMN COc1cc2[nH]c(CCCNC(=O)[C@H](N)c3ccc(C)cc3)cc2c(OC)c1 ZINC000262649031 1433947817 /nfs/dbraw/zinc/94/78/17/1433947817.db2.gz KSKZXNNXIFQOOP-OAQYLSRUSA-N 0 1 381.476 3.242 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 ZINC000262647024 1433947873 /nfs/dbraw/zinc/94/78/73/1433947873.db2.gz KHEQIMILJVTWJH-GOSISDBHSA-N 0 1 399.541 3.256 20 0 GGADMN CCCOc1ccc(C(=O)CCC(=O)N2CCN[C@@H](C)C2)cc1OCCC ZINC000262653755 1433948118 /nfs/dbraw/zinc/94/81/18/1433948118.db2.gz YUYFHAUNVSMTHS-INIZCTEOSA-N 0 1 376.497 3.047 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000262654594 1433948162 /nfs/dbraw/zinc/94/81/62/1433948162.db2.gz CCVXBPDNJGBHSS-GOSISDBHSA-N 0 1 393.466 3.319 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000262661113 1433948556 /nfs/dbraw/zinc/94/85/56/1433948556.db2.gz MYCMFARKCDPTIQ-LJQANCHMSA-N 0 1 375.476 3.180 20 0 GGADMN Cc1ccc([C@H](N)C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)cc1 ZINC000262666834 1433948688 /nfs/dbraw/zinc/94/86/88/1433948688.db2.gz PSYDHHANMJBHGM-INIZCTEOSA-N 0 1 379.382 3.154 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000262668618 1433948870 /nfs/dbraw/zinc/94/88/70/1433948870.db2.gz QQATWTCFCODUES-QGZVFWFLSA-N 0 1 377.444 3.454 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262668617 1433948956 /nfs/dbraw/zinc/94/89/56/1433948956.db2.gz QQATWTCFCODUES-KRWDZBQOSA-N 0 1 377.444 3.454 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H](N)c3ccc(C)cc3)C2)cc1 ZINC000262670786 1433949025 /nfs/dbraw/zinc/94/90/25/1433949025.db2.gz RNIZJGLGANRHNL-NQIIRXRSSA-N 0 1 394.519 3.364 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000262684726 1433949821 /nfs/dbraw/zinc/94/98/21/1433949821.db2.gz XJAUBXXSPPSEPN-ROUUACIJSA-N 0 1 389.293 3.357 20 0 GGADMN CC[C@@H](Sc1ccccc1)C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262689911 1433949961 /nfs/dbraw/zinc/94/99/61/1433949961.db2.gz DRFRNYPXKBRHDU-LEOMRAHMSA-N 0 1 376.522 3.001 20 0 GGADMN COc1cc(CNC(=O)[C@H](N)c2ccc(C)cc2)ccc1OCC(F)(F)F ZINC000262686088 1433950277 /nfs/dbraw/zinc/95/02/77/1433950277.db2.gz XWPUVJMKJJEFOM-QGZVFWFLSA-N 0 1 382.382 3.261 20 0 GGADMN 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N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000269192998 1434605034 /nfs/dbraw/zinc/60/50/34/1434605034.db2.gz OFMQETCGNVGOCM-PMACEKPBSA-N 0 1 392.528 3.155 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000269199150 1434605894 /nfs/dbraw/zinc/60/58/94/1434605894.db2.gz DUCOEORAVVGTHO-KRWDZBQOSA-N 0 1 388.924 3.175 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCOC2(CCC2)C1)N1CCCC1 ZINC000269196786 1434605897 /nfs/dbraw/zinc/60/58/97/1434605897.db2.gz GRGXSUKAUFHIOX-MJGOQNOKSA-N 0 1 387.524 3.233 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2)C[C@H](C)O1 ZINC000269232127 1434610927 /nfs/dbraw/zinc/61/09/27/1434610927.db2.gz ITIVYKCWKKEHOH-GASCZTMLSA-N 0 1 387.911 3.461 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000269240445 1434612453 /nfs/dbraw/zinc/61/24/53/1434612453.db2.gz MMWUNDULHKAGNX-NMNUPHIUSA-N 0 1 388.515 3.206 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000269240451 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391.475 3.098 20 0 GGADMN C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270547647 1434743292 /nfs/dbraw/zinc/74/32/92/1434743292.db2.gz FGGZOJZNASHCBX-XUWXXGDYSA-N 0 1 393.894 3.056 20 0 GGADMN CN(Cc1ccon1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270550241 1434743598 /nfs/dbraw/zinc/74/35/98/1434743598.db2.gz BKJTUNAIWQHVAX-GUYCJALGSA-N 0 1 380.851 3.302 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)n[nH]1 ZINC000270576173 1434746492 /nfs/dbraw/zinc/74/64/92/1434746492.db2.gz AATSEKAEVWGLOO-STQMWFEESA-N 0 1 383.456 3.023 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)n[nH]1 ZINC000270576171 1434746522 /nfs/dbraw/zinc/74/65/22/1434746522.db2.gz AATSEKAEVWGLOO-QWHCGFSZSA-N 0 1 383.456 3.023 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270577295 1434746622 /nfs/dbraw/zinc/74/66/22/1434746622.db2.gz AEXXIORMSISFOS-JTQLQIEISA-N 0 1 383.374 3.071 20 0 GGADMN 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GGADMN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000271655494 1434842278 /nfs/dbraw/zinc/84/22/78/1434842278.db2.gz NHJWTDJRFXHFBY-VYDXJSESSA-N 0 1 378.835 3.409 20 0 GGADMN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000271655492 1434842323 /nfs/dbraw/zinc/84/23/23/1434842323.db2.gz NHJWTDJRFXHFBY-HLLBOEOZSA-N 0 1 378.835 3.409 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC ZINC000271657281 1434842516 /nfs/dbraw/zinc/84/25/16/1434842516.db2.gz GCYCWORFEKHZHW-LLVKDONJSA-N 0 1 380.391 3.280 20 0 GGADMN Cc1cc(C2CC[NH+](CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)n[nH]1 ZINC000271664138 1434842710 /nfs/dbraw/zinc/84/27/10/1434842710.db2.gz VORGVAXZPTYUCD-UHFFFAOYSA-N 0 1 392.450 3.158 20 0 GGADMN Cc1cc(C2CCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)n[nH]1 ZINC000271664138 1434842712 /nfs/dbraw/zinc/84/27/12/1434842712.db2.gz VORGVAXZPTYUCD-UHFFFAOYSA-N 0 1 392.450 3.158 20 0 GGADMN Cc1cc(C2CCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)[nH]n1 ZINC000271664138 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395.459 3.111 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271779487 1434849925 /nfs/dbraw/zinc/84/99/25/1434849925.db2.gz FUIWTPTYJUSLKU-LBPRGKRZSA-N 0 1 394.443 3.053 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NCc3ncoc3C)cc2Cl)CC1 ZINC000271780732 1434850112 /nfs/dbraw/zinc/85/01/12/1434850112.db2.gz HUKDSSSJKRGFMC-UHFFFAOYSA-N 0 1 391.903 3.490 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1OC(F)F ZINC000271782914 1434850191 /nfs/dbraw/zinc/85/01/91/1434850191.db2.gz PHNAKZTXBAZRCC-MNOVXSKESA-N 0 1 390.390 3.135 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)CS(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000271784456 1434850402 /nfs/dbraw/zinc/85/04/02/1434850402.db2.gz HNHARYIFNFWLLP-LSDHHAIUSA-N 0 1 393.505 3.225 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000271788296 1434850676 /nfs/dbraw/zinc/85/06/76/1434850676.db2.gz JOAUBPDDGFLLIN-OAHLLOKOSA-N 0 1 397.475 3.120 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](COC)c2ccccc2)cc1OC ZINC000271791084 1434850762 /nfs/dbraw/zinc/85/07/62/1434850762.db2.gz KCQGKPKANDVKNI-LPHOPBHVSA-N 0 1 386.492 3.248 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CN[C@H](COC)c2ccccc2)cc1OC ZINC000271791088 1434850839 /nfs/dbraw/zinc/85/08/39/1434850839.db2.gz KCQGKPKANDVKNI-QFBILLFUSA-N 0 1 386.492 3.248 20 0 GGADMN COC(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)o1 ZINC000271789387 1434850845 /nfs/dbraw/zinc/85/08/45/1434850845.db2.gz QJNJARFVIDJSEB-ZIAGYGMSSA-N 0 1 386.448 3.135 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2ncoc2C)CC1 ZINC000271795783 1434851204 /nfs/dbraw/zinc/85/12/04/1434851204.db2.gz LILNSZXXGMTUMY-UHFFFAOYSA-N 0 1 377.876 3.100 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000271795639 1434851231 /nfs/dbraw/zinc/85/12/31/1434851231.db2.gz LAYITDQGPQGKPE-KBPBESRZSA-N 0 1 397.431 3.050 20 0 GGADMN COc1ccc(C(F)(F)C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1 ZINC000271799343 1434851329 /nfs/dbraw/zinc/85/13/29/1434851329.db2.gz WJEIBBWAZHHQGJ-UHFFFAOYSA-N 0 1 390.430 3.382 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271802705 1434851486 /nfs/dbraw/zinc/85/14/86/1434851486.db2.gz KQINBHGVHPFNTI-HNNXBMFYSA-N 0 1 383.467 3.044 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(Cl)cc1 ZINC000271804064 1434851690 /nfs/dbraw/zinc/85/16/90/1434851690.db2.gz KSHPNUXPFJZQQZ-UONOGXRCSA-N 0 1 385.895 3.387 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc2c(c1)CC(=O)N2C ZINC000271807133 1434851974 /nfs/dbraw/zinc/85/19/74/1434851974.db2.gz LNYVHLLCOSQUSN-KGLIPLIRSA-N 0 1 385.895 3.387 20 0 GGADMN C[C@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271810917 1434852137 /nfs/dbraw/zinc/85/21/37/1434852137.db2.gz ARTLJFHJGHOADW-AWEZNQCLSA-N 0 1 390.505 3.140 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000271816303 1434852512 /nfs/dbraw/zinc/85/25/12/1434852512.db2.gz PHWLYMXRQRPOMU-UONOGXRCSA-N 0 1 378.432 3.442 20 0 GGADMN CC1(C)[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)[C@H]2CCCO[C@@H]21 ZINC000271828780 1434853182 /nfs/dbraw/zinc/85/31/82/1434853182.db2.gz DOQIQNUSFVNBLD-QRQLOZEOSA-N 0 1 385.533 3.366 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc([S@](C)=O)cc1 ZINC000271827845 1434853251 /nfs/dbraw/zinc/85/32/51/1434853251.db2.gz QIMKITMVCXQNQU-QDXKXIGTSA-N 0 1 382.432 3.315 20 0 GGADMN CC1(C)[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)[C@@H]2CCCO[C@@H]21 ZINC000271828782 1434853290 /nfs/dbraw/zinc/85/32/90/1434853290.db2.gz DOQIQNUSFVNBLD-UHOSZYNNSA-N 0 1 385.533 3.366 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnn(C)c2-c2ccccc2)CC1 ZINC000271833874 1434853601 /nfs/dbraw/zinc/85/36/01/1434853601.db2.gz XTNQAOLMXLUBEJ-KRWDZBQOSA-N 0 1 389.503 3.438 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(OC)c1 ZINC000271837825 1434853924 /nfs/dbraw/zinc/85/39/24/1434853924.db2.gz YAFCYHICGOTYKT-AWEZNQCLSA-N 0 1 397.475 3.342 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC ZINC000271842688 1434854221 /nfs/dbraw/zinc/85/42/21/1434854221.db2.gz YRWLHWQGKCRMDN-CQSZACIVSA-N 0 1 385.464 3.260 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c(OC)c1 ZINC000271847645 1434854517 /nfs/dbraw/zinc/85/45/17/1434854517.db2.gz ZHHKWJIGVJADAL-CQSZACIVSA-N 0 1 388.464 3.319 20 0 GGADMN C[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271849098 1434854770 /nfs/dbraw/zinc/85/47/70/1434854770.db2.gz RDAXOYZJNLRWHB-INIZCTEOSA-N 0 1 377.488 3.047 20 0 GGADMN C[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)CC(=O)N2C ZINC000271862846 1434855542 /nfs/dbraw/zinc/85/55/42/1434855542.db2.gz UNCXEVKIXHKMSN-GFCCVEGCSA-N 0 1 396.472 3.211 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000271863097 1434855582 /nfs/dbraw/zinc/85/55/82/1434855582.db2.gz ZKQYSRFGQMSNNR-UONOGXRCSA-N 0 1 397.431 3.050 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)CCO1 ZINC000271905556 1434858457 /nfs/dbraw/zinc/85/84/57/1434858457.db2.gz RBTSZAXZNCXPDA-KGLIPLIRSA-N 0 1 385.430 3.211 20 0 GGADMN CC[C@H](C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1ccc(OC)cc1 ZINC000271911200 1434858769 /nfs/dbraw/zinc/85/87/69/1434858769.db2.gz MLMKZPLGCKWDSD-INIZCTEOSA-N 0 1 377.462 3.327 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccccc1Cn1ccnc1 ZINC000271913274 1434858958 /nfs/dbraw/zinc/85/89/58/1434858958.db2.gz IZOVQWRJPGSIAX-UHFFFAOYSA-N 0 1 393.413 3.204 20 0 GGADMN CSc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000271913553 1434858974 /nfs/dbraw/zinc/85/89/74/1434858974.db2.gz QVKANOKBJKWRSL-CQSZACIVSA-N 0 1 399.520 3.057 20 0 GGADMN CC(C)NC(=O)Nc1ccc([C@@H](C)NCC(=O)NCCc2ccccc2)cc1 ZINC000271941758 1434860740 /nfs/dbraw/zinc/86/07/40/1434860740.db2.gz BSFBSYCLXJNBAH-QGZVFWFLSA-N 0 1 382.508 3.226 20 0 GGADMN C[C@H](NC1(c2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000271956242 1434861643 /nfs/dbraw/zinc/86/16/43/1434861643.db2.gz FJZZNMRBSRNTNI-KRWDZBQOSA-N 0 1 386.517 3.047 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000271958162 1434861867 /nfs/dbraw/zinc/86/18/67/1434861867.db2.gz FTASTPAHHQTNAY-AZUAARDMSA-N 0 1 388.556 3.462 20 0 GGADMN CC(C)C[C@H](NC1CCN(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000271974365 1434862898 /nfs/dbraw/zinc/86/28/98/1434862898.db2.gz XLWUQMJDUDYSPX-KRWDZBQOSA-N 0 1 381.484 3.201 20 0 GGADMN Cc1ccc(SC2CCCC2)c(C(=O)NCCCN2CCC[C@H]2C(N)=O)c1 ZINC000271977292 1434863119 /nfs/dbraw/zinc/86/31/19/1434863119.db2.gz YCZURPBRNHHPLU-SFHVURJKSA-N 0 1 389.565 3.099 20 0 GGADMN CC(C)C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCO1 ZINC000272007872 1434865495 /nfs/dbraw/zinc/86/54/95/1434865495.db2.gz VLARPZDIVXEZPW-DZFGPLHGSA-N 0 1 388.556 3.500 20 0 GGADMN Cc1csc2ncc(C(=O)N3CCC[C@H]3c3nc4ccc(C)cc4[nH]3)c(=O)n12 ZINC000272010398 1434865651 /nfs/dbraw/zinc/86/56/51/1434865651.db2.gz UEGDDJJUQYOPHB-INIZCTEOSA-N 0 1 393.472 3.226 20 0 GGADMN C[C@@]1(CCCO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000272010998 1434865663 /nfs/dbraw/zinc/86/56/63/1434865663.db2.gz KGBFOCAXECTVGW-UWJYYQICSA-N 0 1 385.464 3.177 20 0 GGADMN Cc1ccc(C)n1C1CCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000272013779 1434865888 /nfs/dbraw/zinc/86/58/88/1434865888.db2.gz CCYXAUSTTMKVJP-NRFANRHFSA-N 0 1 390.549 3.053 20 0 GGADMN C[C@H]1C[C@H](C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCO1 ZINC000272021807 1434866757 /nfs/dbraw/zinc/86/67/57/1434866757.db2.gz VTOSFMWIBJOEGN-AZUAARDMSA-N 0 1 394.519 3.157 20 0 GGADMN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272024536 1434866950 /nfs/dbraw/zinc/86/69/50/1434866950.db2.gz AIGMOARSMKYPNI-UHFFFAOYSA-N 0 1 399.491 3.495 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCCCO3)c2C1 ZINC000272045335 1434868428 /nfs/dbraw/zinc/86/84/28/1434868428.db2.gz QWFMAAPHXIQBGM-GUXCAODWSA-N 0 1 387.524 3.059 20 0 GGADMN CN(CCc1cnccn1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000272044182 1434868484 /nfs/dbraw/zinc/86/84/84/1434868484.db2.gz RVIIZINUIMKVQE-SFHVURJKSA-N 0 1 392.425 3.161 20 0 GGADMN Cc1cc(C2CCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)n[nH]1 ZINC000272049983 1434868858 /nfs/dbraw/zinc/86/88/58/1434868858.db2.gz DRNZIYMETKASDL-UHFFFAOYSA-N 0 1 393.491 3.482 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@H]1CCCOc2cc3c(cc21)CCC3)C(F)(F)F ZINC000272063327 1434869683 /nfs/dbraw/zinc/86/96/83/1434869683.db2.gz IWISCEROFRRYDO-QFBILLFUSA-N 0 1 395.425 3.162 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cnn(C(C)C)c4)C3)[nH]c2c1 ZINC000272065326 1434869870 /nfs/dbraw/zinc/86/98/70/1434869870.db2.gz DKEVSVBTZAIYML-HNNXBMFYSA-N 0 1 387.509 3.217 20 0 GGADMN COC(=O)c1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272069206 1434870066 /nfs/dbraw/zinc/87/00/66/1434870066.db2.gz BTROEHAOZMQRNK-OAHLLOKOSA-N 0 1 397.479 3.054 20 0 GGADMN Cc1cc(C2CCN(C(=O)CSCC(=O)Nc3ccc(C)cc3)CC2)n[nH]1 ZINC000272072351 1434870215 /nfs/dbraw/zinc/87/02/15/1434870215.db2.gz CEUGRHOZDQKWEG-UHFFFAOYSA-N 0 1 386.521 3.104 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000272080735 1434870809 /nfs/dbraw/zinc/87/08/09/1434870809.db2.gz KQHODDSAFCRBLQ-BMIGLBTASA-N 0 1 379.329 3.122 20 0 GGADMN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000272080741 1434870844 /nfs/dbraw/zinc/87/08/44/1434870844.db2.gz KQHODDSAFCRBLQ-ZUZCIYMTSA-N 0 1 379.329 3.122 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)n[nH]1 ZINC000272085701 1434871200 /nfs/dbraw/zinc/87/12/00/1434871200.db2.gz KGODMXVVJMVFCA-HXUWFJFHSA-N 0 1 382.508 3.187 20 0 GGADMN Cc1cc([C@@H](NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)C2CC2)ccc1F ZINC000272097356 1434871806 /nfs/dbraw/zinc/87/18/06/1434871806.db2.gz OJAUKIIPMXJGHF-FQEVSTJZSA-N 0 1 390.480 3.217 20 0 GGADMN Cc1cc([C@H](NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)C2CC2)ccc1F ZINC000272097359 1434871902 /nfs/dbraw/zinc/87/19/02/1434871902.db2.gz OJAUKIIPMXJGHF-HXUWFJFHSA-N 0 1 390.480 3.217 20 0 GGADMN Cc1cc(C2CCN(C(=O)COc3ccccc3OCC(F)(F)F)CC2)n[nH]1 ZINC000272121352 1434873450 /nfs/dbraw/zinc/87/34/50/1434873450.db2.gz QIGVVOKHQAVYHL-UHFFFAOYSA-N 0 1 397.397 3.444 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@H]3CCCC3=O)n[nH]2)cc1OC ZINC000272132948 1434874014 /nfs/dbraw/zinc/87/40/14/1434874014.db2.gz BYZGSPNDOVXCNI-PBHICJAKSA-N 0 1 383.448 3.068 20 0 GGADMN Cc1cc(C2CCN(C(=O)CSCC(=O)Nc3cccc(C)c3)CC2)n[nH]1 ZINC000272139195 1434874308 /nfs/dbraw/zinc/87/43/08/1434874308.db2.gz UHQKRNDPFLRDFB-UHFFFAOYSA-N 0 1 386.521 3.104 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)CC2)n[nH]1 ZINC000272141808 1434874536 /nfs/dbraw/zinc/87/45/36/1434874536.db2.gz URXPQFYBWAKEGK-OAQYLSRUSA-N 0 1 380.492 3.178 20 0 GGADMN Cc1cc(C2CCN(C(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)n[nH]1 ZINC000272150023 1434875039 /nfs/dbraw/zinc/87/50/39/1434875039.db2.gz VTGMEIRXDVLJPP-UHFFFAOYSA-N 0 1 391.475 3.110 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCCNC(=O)c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000272156324 1434875366 /nfs/dbraw/zinc/87/53/66/1434875366.db2.gz WOYIWTUVIGYIQA-UHFFFAOYSA-N 0 1 388.899 3.288 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccc(CSc4nc[nH]n4)cc3)CC2)n[nH]1 ZINC000272179104 1434876253 /nfs/dbraw/zinc/87/62/53/1434876253.db2.gz ZWLUVYFFBKSUNO-UHFFFAOYSA-N 0 1 382.493 3.148 20 0 GGADMN COCC[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(C)o1 ZINC000272180530 1434876435 /nfs/dbraw/zinc/87/64/35/1434876435.db2.gz KERJVMHDIZQQNH-LJQANCHMSA-N 0 1 386.496 3.024 20 0 GGADMN Cc1nnc(N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)s1 ZINC000272182337 1434876502 /nfs/dbraw/zinc/87/65/02/1434876502.db2.gz JGBJMNFNCXCZHK-QWHCGFSZSA-N 0 1 388.390 3.027 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000272209697 1434878357 /nfs/dbraw/zinc/87/83/57/1434878357.db2.gz ABVLGRSVEMGLTQ-UONOGXRCSA-N 0 1 385.464 3.316 20 0 GGADMN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000272214187 1434878564 /nfs/dbraw/zinc/87/85/64/1434878564.db2.gz HZJBXSJJMWGLOD-UHFFFAOYSA-N 0 1 394.424 3.370 20 0 GGADMN O=C(c1cccc2[nH]c(=O)oc21)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272225636 1434879448 /nfs/dbraw/zinc/87/94/48/1434879448.db2.gz LEXZZLKPRDXXLJ-AWEZNQCLSA-N 0 1 395.463 3.307 20 0 GGADMN COC(=O)[C@H](c1cccnc1)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272225546 1434879480 /nfs/dbraw/zinc/87/94/80/1434879480.db2.gz LDKQGTSQEBTYTG-ROUUACIJSA-N 0 1 383.496 3.341 20 0 GGADMN COC(=O)[C@H](c1cccnc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272225546 1434879482 /nfs/dbraw/zinc/87/94/82/1434879482.db2.gz LDKQGTSQEBTYTG-ROUUACIJSA-N 0 1 383.496 3.341 20 0 GGADMN Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272232045 1434880151 /nfs/dbraw/zinc/88/01/51/1434880151.db2.gz MCQTVRCLRWLZNI-QGZVFWFLSA-N 0 1 384.528 3.151 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000272235949 1434880371 /nfs/dbraw/zinc/88/03/71/1434880371.db2.gz WOSADYDYANLEIS-GXSJLCMTSA-N 0 1 386.422 3.285 20 0 GGADMN C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236253 1434880409 /nfs/dbraw/zinc/88/04/09/1434880409.db2.gz SDUUQNYGMJESSU-MFSJNOQSSA-N 0 1 394.515 3.446 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccc(F)cc2)c1 ZINC000272238041 1434880570 /nfs/dbraw/zinc/88/05/70/1434880570.db2.gz AHHVCDNNQLBICZ-LMCOJAPRSA-N 0 1 375.465 3.228 20 0 GGADMN Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)cc12 ZINC000272239494 1434880783 /nfs/dbraw/zinc/88/07/83/1434880783.db2.gz NIARAOZLDSCVOS-OAHLLOKOSA-N 0 1 393.495 3.452 20 0 GGADMN COc1ccc(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1NC(=O)OC(C)(C)C ZINC000272249133 1434881584 /nfs/dbraw/zinc/88/15/84/1434881584.db2.gz HYBICDNQUXVFMB-JTQLQIEISA-N 0 1 376.417 3.043 20 0 GGADMN CCn1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1=O ZINC000272254634 1434882014 /nfs/dbraw/zinc/88/20/14/1434882014.db2.gz PNMKVXWCYCYWOE-MRXNPFEDSA-N 0 1 398.511 3.446 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H](C)n2nnnc2C(C)(C)C)[nH]1 ZINC000272259119 1434882155 /nfs/dbraw/zinc/88/21/55/1434882155.db2.gz QFFBDNUIPBJUQJ-LBPRGKRZSA-N 0 1 382.472 3.079 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)[C@@H]2C1 ZINC000272262603 1434882351 /nfs/dbraw/zinc/88/23/51/1434882351.db2.gz ASKCSPLSGNGLQE-FXAWDEMLSA-N 0 1 387.487 3.101 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2cccn2)cc1 ZINC000272262786 1434882427 /nfs/dbraw/zinc/88/24/27/1434882427.db2.gz MAYKPQFIKMZCGG-HTAPYJJXSA-N 0 1 389.503 3.495 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000272277070 1434883702 /nfs/dbraw/zinc/88/37/02/1434883702.db2.gz BBPVQYBPGBSGDE-UHFFFAOYSA-N 0 1 392.435 3.335 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCN2CCCCC2)c2ccc(F)cc2)c1 ZINC000272291449 1434884775 /nfs/dbraw/zinc/88/47/75/1434884775.db2.gz OGJOFHVCLDAIOG-OAQYLSRUSA-N 0 1 390.524 3.394 20 0 GGADMN O=C(Nc1nnc2ccccn21)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272294404 1434884979 /nfs/dbraw/zinc/88/49/79/1434884979.db2.gz VSLCEOAYMMYNJQ-HNNXBMFYSA-N 0 1 394.483 3.307 20 0 GGADMN O=C(COc1ccccc1O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272297136 1434885191 /nfs/dbraw/zinc/88/51/91/1434885191.db2.gz WDUQZLGHGDYITK-INIZCTEOSA-N 0 1 384.480 3.343 20 0 GGADMN O=C(Cc1cn2ccccc2n1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272306117 1434885899 /nfs/dbraw/zinc/88/58/99/1434885899.db2.gz XMDYLEAFFDKEBR-KRWDZBQOSA-N 0 1 392.507 3.449 20 0 GGADMN Cc1c(C=CC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cnn1C ZINC000272311268 1434886346 /nfs/dbraw/zinc/88/63/46/1434886346.db2.gz YLKQHPUOYAGUOD-DOJUMQAQSA-N 0 1 382.512 3.314 20 0 GGADMN CC(C)(C)[C@H](NC1CCN(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000272310466 1434886434 /nfs/dbraw/zinc/88/64/34/1434886434.db2.gz TUPAAXSRJXCQID-MRXNPFEDSA-N 0 1 381.484 3.201 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000272313128 1434886524 /nfs/dbraw/zinc/88/65/24/1434886524.db2.gz ZOUJKNTTYVGNNH-INIZCTEOSA-N 0 1 381.432 3.477 20 0 GGADMN COC(=O)C1=C(C)O[C@@H](CN2CCC(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000272313046 1434886557 /nfs/dbraw/zinc/88/65/57/1434886557.db2.gz PEJRPVSBNVLIPQ-OAHLLOKOSA-N 0 1 379.403 3.095 20 0 GGADMN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272313883 1434886563 /nfs/dbraw/zinc/88/65/63/1434886563.db2.gz YYWSAAULXZTJBP-OAHLLOKOSA-N 0 1 394.479 3.042 20 0 GGADMN Cc1cc(C2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CC2)n[nH]1 ZINC000272312764 1434886649 /nfs/dbraw/zinc/88/66/49/1434886649.db2.gz YUCQRDZCLPBJFD-UHFFFAOYSA-N 0 1 377.492 3.469 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324482 1434887351 /nfs/dbraw/zinc/88/73/51/1434887351.db2.gz UXXSBKMTYKOEAP-YJBOKZPZSA-N 0 1 396.535 3.429 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324482 1434887352 /nfs/dbraw/zinc/88/73/52/1434887352.db2.gz UXXSBKMTYKOEAP-YJBOKZPZSA-N 0 1 396.535 3.429 20 0 GGADMN CCN(CC)CCN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272338315 1434888312 /nfs/dbraw/zinc/88/83/12/1434888312.db2.gz YBZGUSUPHZVQEP-FQEVSTJZSA-N 0 1 378.513 3.250 20 0 GGADMN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000272346820 1434889214 /nfs/dbraw/zinc/88/92/14/1434889214.db2.gz XSIGYGVBZIVZKT-UHFFFAOYSA-N 0 1 380.441 3.116 20 0 GGADMN COCCc1ccc(Oc2ccc(NC(=O)NCCc3nc(C)n[nH]3)cc2)cc1 ZINC000272352053 1434889577 /nfs/dbraw/zinc/88/95/77/1434889577.db2.gz DGLXEPVDKGJZKR-UHFFFAOYSA-N 0 1 395.463 3.459 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cccc(COCCc3ccccc3)c2)n1 ZINC000272371172 1434891252 /nfs/dbraw/zinc/89/12/52/1434891252.db2.gz GPHHDCHNUJCBGM-UHFFFAOYSA-N 0 1 379.464 3.237 20 0 GGADMN CC(C)c1nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)nn1-c1ccccc1Cl ZINC000272374653 1434891444 /nfs/dbraw/zinc/89/14/44/1434891444.db2.gz BBDSQAMPAKFOII-PBHICJAKSA-N 0 1 387.915 3.210 20 0 GGADMN CC(C)c1nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)nn1-c1ccccc1Cl ZINC000272374656 1434891483 /nfs/dbraw/zinc/89/14/83/1434891483.db2.gz BBDSQAMPAKFOII-RHSMWYFYSA-N 0 1 387.915 3.210 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(O)c(C)c3)CC2)c1C ZINC000272380123 1434892099 /nfs/dbraw/zinc/89/20/99/1434892099.db2.gz FOSNSHXAGWUTRU-UHFFFAOYSA-N 0 1 397.519 3.458 20 0 GGADMN CCCc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)nn1-c1ccccc1Cl ZINC000272380091 1434892122 /nfs/dbraw/zinc/89/21/22/1434892122.db2.gz BQMOSHGFUBTSBI-RHSMWYFYSA-N 0 1 387.915 3.039 20 0 GGADMN CCCc1nc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)nn1-c1ccccc1Cl ZINC000272380086 1434892160 /nfs/dbraw/zinc/89/21/60/1434892160.db2.gz BQMOSHGFUBTSBI-PBHICJAKSA-N 0 1 387.915 3.039 20 0 GGADMN COc1c(O)cccc1CN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000272381372 1434892165 /nfs/dbraw/zinc/89/21/65/1434892165.db2.gz HRTOMSHHNJANAY-UHFFFAOYSA-N 0 1 394.512 3.297 20 0 GGADMN CCCc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nn1-c1ccccc1Cl ZINC000272380097 1434892232 /nfs/dbraw/zinc/89/22/32/1434892232.db2.gz BQMOSHGFUBTSBI-WMLDXEAASA-N 0 1 387.915 3.039 20 0 GGADMN C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272387787 1434892763 /nfs/dbraw/zinc/89/27/63/1434892763.db2.gz IUFDFOZXLNFSAK-MAUKXSAKSA-N 0 1 393.940 3.065 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(CC)CCOCC2)CC1 ZINC000272402426 1434894214 /nfs/dbraw/zinc/89/42/14/1434894214.db2.gz KJKFIOHHQCFYRV-KRWDZBQOSA-N 0 1 391.531 3.352 20 0 GGADMN CCC(O)(CC)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272417820 1434894874 /nfs/dbraw/zinc/89/48/74/1434894874.db2.gz LNTDIGQXQYNZLU-LJQANCHMSA-N 0 1 379.497 3.459 20 0 GGADMN CCC(O)(CC)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272417812 1434894882 /nfs/dbraw/zinc/89/48/82/1434894882.db2.gz LNTDIGQXQYNZLU-IBGZPJMESA-N 0 1 379.497 3.459 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000272425490 1434895438 /nfs/dbraw/zinc/89/54/38/1434895438.db2.gz HAQCLNCJDXSYPC-WDYCEAGBSA-N 0 1 387.524 3.241 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000272437782 1434896101 /nfs/dbraw/zinc/89/61/01/1434896101.db2.gz IGJMCCXVVKOKKR-CVEARBPZSA-N 0 1 393.503 3.019 20 0 GGADMN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)[C@H]1CCCN1C1CCOCC1 ZINC000272437967 1434896145 /nfs/dbraw/zinc/89/61/45/1434896145.db2.gz HVENKOXZFMGIFM-MSOLQXFVSA-N 0 1 384.442 3.310 20 0 GGADMN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)[C@@H]1CCCN1C1CCOCC1 ZINC000272437974 1434896157 /nfs/dbraw/zinc/89/61/57/1434896157.db2.gz HVENKOXZFMGIFM-ZWKOTPCHSA-N 0 1 384.442 3.310 20 0 GGADMN CCN(Cc1cccc(NC(=O)N[C@H](C)c2nnc[nH]2)c1)C(=O)OC(C)(C)C ZINC000272458135 1434897771 /nfs/dbraw/zinc/89/77/71/1434897771.db2.gz QIVPETALJYHKAI-CYBMUJFWSA-N 0 1 388.472 3.444 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000272485352 1434899611 /nfs/dbraw/zinc/89/96/11/1434899611.db2.gz MPEKGIMJZIKDAT-BQFCYCMXSA-N 0 1 375.513 3.099 20 0 GGADMN CS[C@H](CO)[C@H](C)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272497923 1434900784 /nfs/dbraw/zinc/90/07/84/1434900784.db2.gz VIYRQDRFHWLUDZ-MJXNMMHHSA-N 0 1 397.537 3.021 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000272518070 1434903427 /nfs/dbraw/zinc/90/34/27/1434903427.db2.gz PQDFJVLARWWGPU-SZMVWBNQSA-N 0 1 375.513 3.051 20 0 GGADMN CCC[C@@](C)(O)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272520569 1434903728 /nfs/dbraw/zinc/90/37/28/1434903728.db2.gz YDRINTZKMMDOFA-VQTJNVASSA-N 0 1 379.497 3.459 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000272519844 1434903756 /nfs/dbraw/zinc/90/37/56/1434903756.db2.gz ZEKBRYFSNNHMRC-SFHVURJKSA-N 0 1 396.369 3.345 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524599 1434904038 /nfs/dbraw/zinc/90/40/38/1434904038.db2.gz QHUDORAGLKSEHX-KBPBESRZSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524599 1434904040 /nfs/dbraw/zinc/90/40/40/1434904040.db2.gz QHUDORAGLKSEHX-KBPBESRZSA-N 0 1 388.464 3.234 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)[C@H]2C1 ZINC000272550149 1434906862 /nfs/dbraw/zinc/90/68/62/1434906862.db2.gz CYBQBNSMHVSIBI-RDJZCZTQSA-N 0 1 393.516 3.162 20 0 GGADMN COCC1(O)CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000272589264 1434911592 /nfs/dbraw/zinc/91/15/92/1434911592.db2.gz STAAXEDCCXAVDO-UHFFFAOYSA-N 0 1 382.460 3.477 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[C@H](COc3ccccc3)C2)c1 ZINC000272589954 1434911615 /nfs/dbraw/zinc/91/16/15/1434911615.db2.gz PLDXVENQJPAQMJ-AEFFLSMTSA-N 0 1 381.476 3.373 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272591162 1434911838 /nfs/dbraw/zinc/91/18/38/1434911838.db2.gz PLDXVENQJPAQMJ-SJLPKXTDSA-N 0 1 381.476 3.373 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000272643778 1434919013 /nfs/dbraw/zinc/91/90/13/1434919013.db2.gz YKYBIQODOAOWRU-MLGOLLRUSA-N 0 1 378.394 3.450 20 0 GGADMN O=C(NCCc1cccc2cccnc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272655383 1434920299 /nfs/dbraw/zinc/92/02/99/1434920299.db2.gz LJDNECBZPRWVOY-GOSISDBHSA-N 0 1 390.491 3.362 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000272664603 1434920933 /nfs/dbraw/zinc/92/09/33/1434920933.db2.gz IQFPBANQOCYXMY-UHFFFAOYSA-N 0 1 394.471 3.405 20 0 GGADMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cnn1C1CCCCC1 ZINC000272674703 1434921554 /nfs/dbraw/zinc/92/15/54/1434921554.db2.gz XAWJKPZPKPEYMR-UHFFFAOYSA-N 0 1 382.512 3.096 20 0 GGADMN COC(=O)c1ccc(F)c(CN(C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000272685421 1434922409 /nfs/dbraw/zinc/92/24/09/1434922409.db2.gz CPIOSFHECNPPBG-UHFFFAOYSA-N 0 1 384.451 3.349 20 0 GGADMN C[C@H](NC(=O)NCc1cccnc1Oc1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000272687873 1434922742 /nfs/dbraw/zinc/92/27/42/1434922742.db2.gz BTMUYJLCWARCBR-HNNXBMFYSA-N 0 1 384.455 3.463 20 0 GGADMN Cc1ccc([C@H](N[C@@H](C)CC[S@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272698266 1434923835 /nfs/dbraw/zinc/92/38/35/1434923835.db2.gz YFFLMGYJLDNMPO-BLRRAGTOSA-N 0 1 393.574 3.235 20 0 GGADMN Cc1ccc([C@H](N[C@@H](C)CC[S@@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272698268 1434923878 /nfs/dbraw/zinc/92/38/78/1434923878.db2.gz YFFLMGYJLDNMPO-RGIAPHJHSA-N 0 1 393.574 3.235 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000272717719 1434925653 /nfs/dbraw/zinc/92/56/53/1434925653.db2.gz WRBFBLIEHFZZBU-UHFFFAOYSA-N 0 1 390.465 3.002 20 0 GGADMN CC[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000272736218 1434926996 /nfs/dbraw/zinc/92/69/96/1434926996.db2.gz MDDQYMVCHPDRPX-YQVWRLOYSA-N 0 1 391.531 3.350 20 0 GGADMN CCCCCC(=O)NC1CCN(CCOc2ccccc2C(=O)OC)CC1 ZINC000272765812 1434929234 /nfs/dbraw/zinc/92/92/34/1434929234.db2.gz DFAKCHIRZNMZGJ-UHFFFAOYSA-N 0 1 376.497 3.013 20 0 GGADMN CCCCCc1nnc(NC(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000272767778 1434929584 /nfs/dbraw/zinc/92/95/84/1434929584.db2.gz ALWPMCOUUICLKB-WHDAMIPWSA-N 0 1 394.566 3.298 20 0 GGADMN CCCCOc1ccc(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1OC ZINC000272775432 1434930135 /nfs/dbraw/zinc/93/01/35/1434930135.db2.gz QQQJGOCTJOFYNU-INIZCTEOSA-N 0 1 375.513 3.324 20 0 GGADMN C[C@@H](NC(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C1=CC[N@@H+](C)CC1 ZINC000272775072 1434930168 /nfs/dbraw/zinc/93/01/68/1434930168.db2.gz YELZOJABGNSCEN-GFCCVEGCSA-N 0 1 394.401 3.058 20 0 GGADMN C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272798612 1434931887 /nfs/dbraw/zinc/93/18/87/1434931887.db2.gz UPTIKXDGLSGMQJ-PGRDOPGGSA-N 0 1 391.515 3.314 20 0 GGADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000272838657 1434934986 /nfs/dbraw/zinc/93/49/86/1434934986.db2.gz SNSOMLGKKZCYKX-OAQYLSRUSA-N 0 1 394.519 3.477 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H](C)c2c(F)cccc2F)CC1 ZINC000272856589 1434936502 /nfs/dbraw/zinc/93/65/02/1434936502.db2.gz LYNXDUVMYWVAQL-KGLIPLIRSA-N 0 1 382.451 3.196 20 0 GGADMN Cc1[nH]nc(C(F)F)c1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000272879475 1434938181 /nfs/dbraw/zinc/93/81/81/1434938181.db2.gz XVXYYCRWNAMVMG-UHFFFAOYSA-N 0 1 377.439 3.115 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000272883451 1434938379 /nfs/dbraw/zinc/93/83/79/1434938379.db2.gz CROWXKQLCATAIX-PVPMGCCUSA-N 0 1 390.574 3.455 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1ccsc1 ZINC000272882254 1434938424 /nfs/dbraw/zinc/93/84/24/1434938424.db2.gz CQUAXRAGDLTBQK-GOSISDBHSA-N 0 1 383.521 3.251 20 0 GGADMN Cn1nc(C(F)(F)F)c(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1Cl ZINC000272903143 1434940064 /nfs/dbraw/zinc/94/00/64/1434940064.db2.gz GIRDHGFLWPAWEI-JTQLQIEISA-N 0 1 388.825 3.467 20 0 GGADMN Cn1nc(C(F)(F)F)c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1Cl ZINC000272903143 1434940066 /nfs/dbraw/zinc/94/00/66/1434940066.db2.gz GIRDHGFLWPAWEI-JTQLQIEISA-N 0 1 388.825 3.467 20 0 GGADMN CCOCc1ccccc1CNC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000272910742 1434940447 /nfs/dbraw/zinc/94/04/47/1434940447.db2.gz WPNUNWVABPUVBY-UHFFFAOYSA-N 0 1 391.508 3.365 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000272911773 1434940489 /nfs/dbraw/zinc/94/04/89/1434940489.db2.gz HWPKFNAJWKDQHH-MRXNPFEDSA-N 0 1 392.459 3.329 20 0 GGADMN Cc1cc(C2CCN(CC(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)[nH]n1 ZINC000272921168 1434941246 /nfs/dbraw/zinc/94/12/46/1434941246.db2.gz IXIWYXDMVDLBTL-UHFFFAOYSA-N 0 1 398.404 3.372 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(F)c1Sc1ccccc1)N1CCN(C)CC1 ZINC000272933969 1434942242 /nfs/dbraw/zinc/94/22/42/1434942242.db2.gz QSJMZOBSFOWENL-INIZCTEOSA-N 0 1 387.524 3.343 20 0 GGADMN Cc1cc(C)nc(N2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000272941772 1434942823 /nfs/dbraw/zinc/94/28/23/1434942823.db2.gz IPXDTLPKUURVTM-UHFFFAOYSA-N 0 1 381.524 3.251 20 0 GGADMN CCCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000272951640 1434943715 /nfs/dbraw/zinc/94/37/15/1434943715.db2.gz MNWGWUVGWLNEOX-RKOGDMNLSA-N 0 1 388.533 3.180 20 0 GGADMN CCOc1c(Cl)cc(CN[C@H](Cc2ccc(F)cc2)C(N)=O)cc1OC ZINC000272977362 1434945847 /nfs/dbraw/zinc/94/58/47/1434945847.db2.gz IPLMXQPNMOZSRS-MRXNPFEDSA-N 0 1 380.847 3.073 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1OC ZINC000272989372 1434947298 /nfs/dbraw/zinc/94/72/98/1434947298.db2.gz KNKXAIXRACZJAA-WBMJQRKESA-N 0 1 396.409 3.470 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)CCC(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000273008505 1434949486 /nfs/dbraw/zinc/94/94/86/1434949486.db2.gz RYJGWWCQTAGJOK-HNNXBMFYSA-N 0 1 376.522 3.135 20 0 GGADMN CCOc1ccc(NC(=O)CN2CCC(c3cc(C)n[nH]3)CC2)cc1OCC ZINC000273026057 1434951890 /nfs/dbraw/zinc/95/18/90/1434951890.db2.gz STVFKEJWVPBWQL-UHFFFAOYSA-N 0 1 386.496 3.334 20 0 GGADMN Cc1cc(C2CCN(CC(=O)NCCCO[C@@H](C)c3ccccc3)CC2)[nH]n1 ZINC000273056074 1434955564 /nfs/dbraw/zinc/95/55/64/1434955564.db2.gz ZGBUBXLYUCFCRY-SFHVURJKSA-N 0 1 384.524 3.182 20 0 GGADMN C[C@@]1(NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCO[C@@H]1C1CC1 ZINC000273074449 1434957847 /nfs/dbraw/zinc/95/78/47/1434957847.db2.gz PARQJCLWBNOGSO-IEBWSBKVSA-N 0 1 392.546 3.261 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC(CCCO)CC2)N2CCCC2)c1 ZINC000273076710 1434958155 /nfs/dbraw/zinc/95/81/55/1434958155.db2.gz OLFJUXVWBVKKHO-NRFANRHFSA-N 0 1 389.540 3.026 20 0 GGADMN O=C(NC[C@H]1CCCCN1C(=O)N[C@H]1CCCc2cn[nH]c21)Nc1ccccc1 ZINC000273105855 1434961690 /nfs/dbraw/zinc/96/16/90/1434961690.db2.gz VNTWMPCLSVPMIQ-MSOLQXFVSA-N 0 1 396.495 3.173 20 0 GGADMN COc1ccc([C@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)N2CCCCC2)cc1 ZINC000273126733 1434964380 /nfs/dbraw/zinc/96/43/80/1434964380.db2.gz PXIBRTRLXMRISW-QRWLVFNGSA-N 0 1 384.524 3.482 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000273138223 1434965643 /nfs/dbraw/zinc/96/56/43/1434965643.db2.gz WXOYRWXPUKDUAX-UHFFFAOYSA-N 0 1 388.468 3.361 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000273157641 1434967536 /nfs/dbraw/zinc/96/75/36/1434967536.db2.gz JJKCGRYDIMPEAI-LSDHHAIUSA-N 0 1 382.460 3.169 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cnn(C)c1 ZINC000273161826 1434967854 /nfs/dbraw/zinc/96/78/54/1434967854.db2.gz CRUVXMWBVQJFGA-HOCLYGCPSA-N 0 1 385.516 3.236 20 0 GGADMN C[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000273172716 1434968856 /nfs/dbraw/zinc/96/88/56/1434968856.db2.gz CFSXVORJHRHHHD-AVRDEDQJSA-N 0 1 389.503 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ZINC000273391184 1434985785 /nfs/dbraw/zinc/98/57/85/1434985785.db2.gz DOMDDYYEVFBYHH-UHFFFAOYSA-N 0 1 392.912 3.109 20 0 GGADMN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000273416830 1434987440 /nfs/dbraw/zinc/98/74/40/1434987440.db2.gz FREWPAPTXKKKDA-PBHICJAKSA-N 0 1 399.447 3.413 20 0 GGADMN O=C(Cc1cc(F)cc2c1OCOC2)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000273431303 1434988471 /nfs/dbraw/zinc/98/84/71/1434988471.db2.gz LOKGBRFTZBWXQF-SFHVURJKSA-N 0 1 388.439 3.171 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccccc2Cn2ccnc2)cc1 ZINC000273444720 1434989217 /nfs/dbraw/zinc/98/92/17/1434989217.db2.gz ZPDYNULYJHABMZ-GOSISDBHSA-N 0 1 383.517 3.192 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccccc2Cn2ccnc2)cc1 ZINC000273444721 1434989261 /nfs/dbraw/zinc/98/92/61/1434989261.db2.gz ZPDYNULYJHABMZ-SFHVURJKSA-N 0 1 383.517 3.192 20 0 GGADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)[C@H]1CCCCS1(=O)=O ZINC000273470189 1434990905 /nfs/dbraw/zinc/99/09/05/1434990905.db2.gz JNLDZYVLQCKEIL-QGZVFWFLSA-N 0 1 396.472 3.045 20 0 GGADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)[C@H]1CCCCS1(=O)=O ZINC000273470189 1434990907 /nfs/dbraw/zinc/99/09/07/1434990907.db2.gz JNLDZYVLQCKEIL-QGZVFWFLSA-N 0 1 396.472 3.045 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000273479053 1434991240 /nfs/dbraw/zinc/99/12/40/1434991240.db2.gz RZAOFIQKPKLGHZ-AWEZNQCLSA-N 0 1 396.915 3.499 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CCc2ccncc21 ZINC000273484113 1434991578 /nfs/dbraw/zinc/99/15/78/1434991578.db2.gz MBQXKJCCBQFSPC-UHFFFAOYSA-N 0 1 394.500 3.230 20 0 GGADMN CCN(C(=O)c1cccc2[nH]c(-c3cccs3)nc21)[C@@H](C)CS(C)(=O)=O ZINC000273496622 1434992314 /nfs/dbraw/zinc/99/23/14/1434992314.db2.gz LLZFRMQXGFRIHV-LBPRGKRZSA-N 0 1 391.518 3.187 20 0 GGADMN CC(=O)Nc1nc(CN[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000273500189 1434992819 /nfs/dbraw/zinc/99/28/19/1434992819.db2.gz MHYRVCMWKHBQKG-GXTWGEPZSA-N 0 1 382.530 3.227 20 0 GGADMN COc1cccc(COC[C@H](O)CN[C@H](COCC(C)C)c2ccco2)c1 ZINC000273501873 1434992891 /nfs/dbraw/zinc/99/28/91/1434992891.db2.gz MPPCNWLTVZRGGU-UYAOXDASSA-N 0 1 377.481 3.169 20 0 GGADMN CC[C@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)[C@@H](O)c1c(F)cccc1F ZINC000273510370 1434993671 /nfs/dbraw/zinc/99/36/71/1434993671.db2.gz RRVYCYQNLNUAOG-SOVGHPHASA-N 0 1 383.460 3.229 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1 ZINC000273527544 1434994763 /nfs/dbraw/zinc/99/47/63/1434994763.db2.gz YIPBZNNCGNXISS-UHFFFAOYSA-N 0 1 378.904 3.180 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000273553294 1434996377 /nfs/dbraw/zinc/99/63/77/1434996377.db2.gz AOTMBXJNBWMKAB-UHFFFAOYSA-N 0 1 397.424 3.209 20 0 GGADMN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000273572856 1434997558 /nfs/dbraw/zinc/99/75/58/1434997558.db2.gz DJXMICVIMAQQCG-QGZVFWFLSA-N 0 1 383.492 3.413 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)Cc1noc2ccccc21 ZINC000273594946 1434998898 /nfs/dbraw/zinc/99/88/98/1434998898.db2.gz IDZFCONJFOGCAC-PXNSSMCTSA-N 0 1 397.500 3.274 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)CC2)n[nH]1 ZINC000273613656 1434999949 /nfs/dbraw/zinc/99/99/49/1434999949.db2.gz MQHOFEOAGYPDEQ-FQEVSTJZSA-N 0 1 398.507 3.375 20 0 GGADMN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000273622407 1435000227 /nfs/dbraw/zinc/00/02/27/1435000227.db2.gz NHYZMMFGZUBDPC-LBPRGKRZSA-N 0 1 380.473 3.032 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccc(CNC(=O)C(C)(C)C)cc3)CC2)n[nH]1 ZINC000273621388 1435000299 /nfs/dbraw/zinc/00/02/99/1435000299.db2.gz OOINKAPIPAMPCU-UHFFFAOYSA-N 0 1 382.508 3.400 20 0 GGADMN CC(C)(CCS(C)(=O)=O)NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000273665179 1435003591 /nfs/dbraw/zinc/00/35/91/1435003591.db2.gz INJSWLYJHVKJPB-UHFFFAOYSA-N 0 1 391.518 3.235 20 0 GGADMN COc1cc(Cc2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)ccc1C ZINC000273673986 1435004152 /nfs/dbraw/zinc/00/41/52/1435004152.db2.gz GVGATDGOCDKEKJ-UHFFFAOYSA-N 0 1 378.436 3.385 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccc(-n4cnc5ccccc54)nc3)CC2)n[nH]1 ZINC000273682531 1435004852 /nfs/dbraw/zinc/00/48/52/1435004852.db2.gz ZIBCUYROTIPONL-UHFFFAOYSA-N 0 1 386.459 3.472 20 0 GGADMN CCO[C@H]1C[C@H]1c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000273774432 1435012871 /nfs/dbraw/zinc/01/28/71/1435012871.db2.gz BWJCPNJZVXGACD-PBHICJAKSA-N 0 1 376.888 3.424 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1ccccc1-c1noc(-c2cccc(F)c2F)n1 ZINC000273777066 1435013340 /nfs/dbraw/zinc/01/33/40/1435013340.db2.gz FFRJWDUAMKENFX-INIZCTEOSA-N 0 1 384.386 3.132 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1ccccc1-c1noc(-c2cc(F)cc(F)c2)n1 ZINC000273787152 1435014257 /nfs/dbraw/zinc/01/42/57/1435014257.db2.gz GJNYQZOGHDVGEQ-KRWDZBQOSA-N 0 1 384.386 3.132 20 0 GGADMN CS(=O)(=O)Nc1ccc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)cc1 ZINC000273792025 1435014831 /nfs/dbraw/zinc/01/48/31/1435014831.db2.gz UKIJDJLYSHVQIR-GOSISDBHSA-N 0 1 398.488 3.445 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@]12CCCO2 ZINC000273816751 1435017730 /nfs/dbraw/zinc/01/77/30/1435017730.db2.gz JTXMEKDNLZNUSF-IYOUNJFTSA-N 0 1 380.395 3.349 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@]12CCCO2 ZINC000273816755 1435017736 /nfs/dbraw/zinc/01/77/36/1435017736.db2.gz JTXMEKDNLZNUSF-LBTNJELSSA-N 0 1 380.395 3.349 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000273848482 1435021254 /nfs/dbraw/zinc/02/12/54/1435021254.db2.gz JJWXDANEHMIQSI-IIDMSEBBSA-N 0 1 387.484 3.174 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000273848482 1435021255 /nfs/dbraw/zinc/02/12/55/1435021255.db2.gz JJWXDANEHMIQSI-IIDMSEBBSA-N 0 1 387.484 3.174 20 0 GGADMN CSc1nc(C)c(CCc2nc(Cc3nc4cccc(C)c4[nH]3)no2)c(=O)[nH]1 ZINC000273867985 1435023400 /nfs/dbraw/zinc/02/34/00/1435023400.db2.gz LSTSQVSYGCCKMK-UHFFFAOYSA-N 0 1 396.476 3.156 20 0 GGADMN Cc1c(-c2nc(-c3ccc4[nH]cnc4c3)no2)cnn1CCO[C@H]1CCCCO1 ZINC000273903985 1435027220 /nfs/dbraw/zinc/02/72/20/1435027220.db2.gz MJJJOORWASJKCI-SFHVURJKSA-N 0 1 394.435 3.328 20 0 GGADMN CC(C)c1nc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)nn1-c1cccc(F)c1 ZINC000273912269 1435027969 /nfs/dbraw/zinc/02/79/69/1435027969.db2.gz HMVLVJDAPOKBAY-CVEARBPZSA-N 0 1 398.442 3.116 20 0 GGADMN CC(C)c1nc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)nn1-c1cccc(F)c1 ZINC000273912275 1435028060 /nfs/dbraw/zinc/02/80/60/1435028060.db2.gz HMVLVJDAPOKBAY-HOTGVXAUSA-N 0 1 398.442 3.116 20 0 GGADMN COc1ccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)c(C)c1 ZINC000273922722 1435028972 /nfs/dbraw/zinc/02/89/72/1435028972.db2.gz QUWFYKKKRHYTLY-LJQANCHMSA-N 0 1 392.459 3.170 20 0 GGADMN CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1 ZINC000273957037 1435032022 /nfs/dbraw/zinc/03/20/22/1435032022.db2.gz UEBCREPREDYQPX-UHFFFAOYSA-N 0 1 382.420 3.008 20 0 GGADMN Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273962788 1435032428 /nfs/dbraw/zinc/03/24/28/1435032428.db2.gz ZMBDTVGVYXMMNL-AWEZNQCLSA-N 0 1 378.461 3.397 20 0 GGADMN CC(C)CNC(=O)N1CCC[C@H](Cc2nc(-c3ccc4[nH]cnc4c3)no2)C1 ZINC000274011541 1435036941 /nfs/dbraw/zinc/03/69/41/1435036941.db2.gz UQPMDOCGBUBOTK-CQSZACIVSA-N 0 1 382.468 3.233 20 0 GGADMN Cc1csc([C@](O)(Cc2nc(-c3ccc4[nH]cnc4c3)no2)C(F)(F)F)n1 ZINC000274024080 1435037850 /nfs/dbraw/zinc/03/78/50/1435037850.db2.gz VJTBAUDYMMTDCM-OAHLLOKOSA-N 0 1 395.366 3.370 20 0 GGADMN CO[C@H](C)CCc1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000274061661 1435040595 /nfs/dbraw/zinc/04/05/95/1435040595.db2.gz DYKUQJCZXNGJHQ-CQSZACIVSA-N 0 1 378.904 3.499 20 0 GGADMN FC(F)(F)CN1CCC(c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)CC1 ZINC000274103742 1435044008 /nfs/dbraw/zinc/04/40/08/1435044008.db2.gz ZJTMDQSCXJAKJU-UHFFFAOYSA-N 0 1 392.385 3.187 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC000274137458 1435046164 /nfs/dbraw/zinc/04/61/64/1435046164.db2.gz IWYJLHIDFVJZPJ-CYBMUJFWSA-N 0 1 398.506 3.004 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274204857 1435051232 /nfs/dbraw/zinc/05/12/32/1435051232.db2.gz LVFKHAWDLBCBJC-RTBURBONSA-N 0 1 395.507 3.318 20 0 GGADMN CC(C)O[C@@H]1C[C@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1(C)C ZINC000274211069 1435051785 /nfs/dbraw/zinc/05/17/85/1435051785.db2.gz KUWFAXKNFCWABN-FFZOFVMBSA-N 0 1 388.556 3.498 20 0 GGADMN CN1CCCN(c2ccc(-c3noc(C[C@H]4CCCO4)n3)cc2Cl)CC1 ZINC000274257691 1435055405 /nfs/dbraw/zinc/05/54/05/1435055405.db2.gz XWVRBAYNIXQSMW-OAHLLOKOSA-N 0 1 376.888 3.253 20 0 GGADMN Cc1ncncc1-c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000274267012 1435056411 /nfs/dbraw/zinc/05/64/11/1435056411.db2.gz ZGIQNMTUMBTENK-UHFFFAOYSA-N 0 1 384.871 3.297 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1nnc(C)s1)N1CCCC1 ZINC000274279901 1435057489 /nfs/dbraw/zinc/05/74/89/1435057489.db2.gz YPZGGCTVLHYNEW-XJKSGUPXSA-N 0 1 389.525 3.052 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1nnc(C)s1)N1CCCC1 ZINC000274279897 1435057621 /nfs/dbraw/zinc/05/76/21/1435057621.db2.gz 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Cc1c(-c2cc(CN3CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)on2)cnn1C ZINC000274323733 1435061775 /nfs/dbraw/zinc/06/17/75/1435061775.db2.gz JACRCJCHCRMLRN-GUYCJALGSA-N 0 1 389.500 3.119 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3cn4c(n3)SCC4)[nH]c2c1 ZINC000274337806 1435062853 /nfs/dbraw/zinc/06/28/53/1435062853.db2.gz HJQWBUKXAWZIFH-QGZVFWFLSA-N 0 1 396.520 3.263 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCc3cn4c(n3)SCC4)[nH]c2c1 ZINC000274337803 1435062930 /nfs/dbraw/zinc/06/29/30/1435062930.db2.gz HJQWBUKXAWZIFH-KRWDZBQOSA-N 0 1 396.520 3.263 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000274342951 1435063239 /nfs/dbraw/zinc/06/32/39/1435063239.db2.gz BMMVOYWPEIAJPS-MRXNPFEDSA-N 0 1 385.516 3.090 20 0 GGADMN CC1(C)OCc2cc(CN3CCCN(Cc4noc(C5CC5)n4)CC3)ccc2O1 ZINC000274349897 1435064044 /nfs/dbraw/zinc/06/40/44/1435064044.db2.gz HGNBNGSIEUBNDJ-UHFFFAOYSA-N 0 1 398.507 3.300 20 0 GGADMN COc1ccc(F)cc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274362960 1435065407 /nfs/dbraw/zinc/06/54/07/1435065407.db2.gz WXXYUFSZSUXKFJ-GFCCVEGCSA-N 0 1 399.415 3.190 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCCC(=O)c3ccc4c(c3)OCCO4)CC2)n[nH]1 ZINC000274382756 1435066748 /nfs/dbraw/zinc/06/67/48/1435066748.db2.gz GRWZDYQWTROYPC-UHFFFAOYSA-N 0 1 397.475 3.249 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000274386103 1435067071 /nfs/dbraw/zinc/06/70/71/1435067071.db2.gz NQGIKJZGDPQKNR-UHFFFAOYSA-N 0 1 393.850 3.071 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccncc3C)CC2)c1C ZINC000274404959 1435068516 /nfs/dbraw/zinc/06/85/16/1435068516.db2.gz GPSMXSXDQPIKOU-UHFFFAOYSA-N 0 1 382.508 3.147 20 0 GGADMN Cc1c([C@@H](C)NCCc2cn3c(n2)SCC3)nnn1-c1ccc(Cl)cc1 ZINC000274409618 1435068674 /nfs/dbraw/zinc/06/86/74/1435068674.db2.gz RPGAVYVAUUHSPY-GFCCVEGCSA-N 0 1 388.928 3.425 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)c2cc(C)c(C(=O)OC)o2)cc1 ZINC000274417742 1435069299 /nfs/dbraw/zinc/06/92/99/1435069299.db2.gz DFEITLLBNBTPCS-ZIAGYGMSSA-N 0 1 375.421 3.338 20 0 GGADMN CC(C)(C)c1nnc2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)cn21 ZINC000274419958 1435069491 /nfs/dbraw/zinc/06/94/91/1435069491.db2.gz HZEPDYRVLUIGBV-UHFFFAOYSA-N 0 1 391.519 3.375 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(OC(C)C)c(C)c3)C2)CC1 ZINC000274424625 1435070032 /nfs/dbraw/zinc/07/00/32/1435070032.db2.gz QZTDPIPMKTYOFX-WFNSPDMASA-N 0 1 385.552 3.034 20 0 GGADMN C[C@@H](CCN1CCN(C)CC1)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000274445181 1435071668 /nfs/dbraw/zinc/07/16/68/1435071668.db2.gz HNDXXFFCHGQQJR-AWEZNQCLSA-N 0 1 388.516 3.035 20 0 GGADMN CCn1nc(CNc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2ccccc21 ZINC000274451883 1435072066 /nfs/dbraw/zinc/07/20/66/1435072066.db2.gz QWGGDFBKVHCXGV-NRFANRHFSA-N 0 1 377.492 3.118 20 0 GGADMN O=C(CCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccn1 ZINC000274479059 1435073676 /nfs/dbraw/zinc/07/36/76/1435073676.db2.gz BKIDIYPLHQKNFL-UHFFFAOYSA-N 0 1 389.459 3.236 20 0 GGADMN Cc1nnc2ccc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)cn12 ZINC000274481861 1435073877 /nfs/dbraw/zinc/07/38/77/1435073877.db2.gz RFGRLQLIQLWPDA-INIZCTEOSA-N 0 1 391.397 3.089 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000274500383 1435075182 /nfs/dbraw/zinc/07/51/82/1435075182.db2.gz HZANWHMESFQJCY-MRXNPFEDSA-N 0 1 399.495 3.065 20 0 GGADMN CC(C)Oc1ccccc1CNC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274506408 1435075348 /nfs/dbraw/zinc/07/53/48/1435075348.db2.gz JMJWOKTYMWVYNA-UHFFFAOYSA-N 0 1 395.463 3.170 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274508154 1435075523 /nfs/dbraw/zinc/07/55/23/1435075523.db2.gz WJQHIDMCIGLJCE-ZDUSSCGKSA-N 0 1 375.421 3.031 20 0 GGADMN Cn1cc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)c(C2CCCCC2)n1 ZINC000274527123 1435076712 /nfs/dbraw/zinc/07/67/12/1435076712.db2.gz ARLKBDDGQVZCBY-UHFFFAOYSA-N 0 1 394.479 3.095 20 0 GGADMN Cc1cc(C)c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c(=O)[nH]1 ZINC000274533041 1435076982 /nfs/dbraw/zinc/07/69/82/1435076982.db2.gz JAXZKAQQAFJVEV-OAHLLOKOSA-N 0 1 381.398 3.456 20 0 GGADMN Cc1cc(C)c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c(=O)[nH]1 ZINC000274533038 1435077016 /nfs/dbraw/zinc/07/70/16/1435077016.db2.gz JAXZKAQQAFJVEV-HNNXBMFYSA-N 0 1 381.398 3.456 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C[C@H](O)COc2c(OC)cccc2OC)o1 ZINC000274539445 1435077548 /nfs/dbraw/zinc/07/75/48/1435077548.db2.gz ZWYMEBCADDPRSL-RDJZCZTQSA-N 0 1 391.464 3.020 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC1CC(c2ccccc2)C1 ZINC000274548965 1435077904 /nfs/dbraw/zinc/07/79/04/1435077904.db2.gz WSJRWRBWIASEBB-UHFFFAOYSA-N 0 1 377.448 3.129 20 0 GGADMN COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2cn[nH]c2C)c1 ZINC000274560565 1435078367 /nfs/dbraw/zinc/07/83/67/1435078367.db2.gz FWWZMBWNRWHWDB-NRFANRHFSA-N 0 1 394.475 3.172 20 0 GGADMN CCCNC(=O)CCCC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000274579398 1435079141 /nfs/dbraw/zinc/07/91/41/1435079141.db2.gz SFBPIOJXADIBEC-INIZCTEOSA-N 0 1 387.446 3.121 20 0 GGADMN CCCNC(=O)CCCC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000274579402 1435079216 /nfs/dbraw/zinc/07/92/16/1435079216.db2.gz SFBPIOJXADIBEC-MRXNPFEDSA-N 0 1 387.446 3.121 20 0 GGADMN CCN(CCc1cccs1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274590553 1435079735 /nfs/dbraw/zinc/07/97/35/1435079735.db2.gz IEDUZIFIYJNGOF-UHFFFAOYSA-N 0 1 385.493 3.219 20 0 GGADMN COc1ccsc1[C@@H](C)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 ZINC000274600323 1435080188 /nfs/dbraw/zinc/08/01/88/1435080188.db2.gz PPRUOSOBXXNVBL-CYBMUJFWSA-N 0 1 378.494 3.083 20 0 GGADMN COCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)cc1 ZINC000274598271 1435080198 /nfs/dbraw/zinc/08/01/98/1435080198.db2.gz HBGXCDRIKOICRB-MRXNPFEDSA-N 0 1 382.464 3.260 20 0 GGADMN CCCOc1ccc(CNCc2n[nH]c(COc3ccccc3)n2)cc1OC ZINC000274603459 1435080652 /nfs/dbraw/zinc/08/06/52/1435080652.db2.gz QSWXIHBKGLFVDH-UHFFFAOYSA-N 0 1 382.464 3.471 20 0 GGADMN CCSc1cccc(CN2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)c1 ZINC000274608742 1435080839 /nfs/dbraw/zinc/08/08/39/1435080839.db2.gz TUBRWZMTRIBDHH-QGZVFWFLSA-N 0 1 388.537 3.367 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N(CCC(F)(F)F)CC1CC1 ZINC000274652631 1435083419 /nfs/dbraw/zinc/08/34/19/1435083419.db2.gz MFENLJPIUIAEQK-UHFFFAOYSA-N 0 1 397.401 3.258 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000274691101 1435085657 /nfs/dbraw/zinc/08/56/57/1435085657.db2.gz VBEBIVAPEYZVCN-MRXNPFEDSA-N 0 1 395.438 3.222 20 0 GGADMN C[C@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000274762966 1435090426 /nfs/dbraw/zinc/09/04/26/1435090426.db2.gz KOXBZNFACTWMCW-LBPRGKRZSA-N 0 1 392.912 3.449 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000274775426 1435091401 /nfs/dbraw/zinc/09/14/01/1435091401.db2.gz TUMZTGNWAIYFIS-UHFFFAOYSA-N 0 1 387.427 3.118 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(c2nnc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000274816707 1435095033 /nfs/dbraw/zinc/09/50/33/1435095033.db2.gz AMSBGJFMQSCQKP-HOTGVXAUSA-N 0 1 399.514 3.199 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN3CCCO[C@H](C)C3)cc2OC)o1 ZINC000274820157 1435095460 /nfs/dbraw/zinc/09/54/60/1435095460.db2.gz BFQNREHHMADKRP-OAHLLOKOSA-N 0 1 389.448 3.265 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000274825252 1435095935 /nfs/dbraw/zinc/09/59/35/1435095935.db2.gz ZMFYNIAJIZUGOF-UHFFFAOYSA-N 0 1 386.456 3.156 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000274842113 1435097298 /nfs/dbraw/zinc/09/72/98/1435097298.db2.gz KGKROAOMDDWFEG-KRWDZBQOSA-N 0 1 379.464 3.298 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000274853773 1435098018 /nfs/dbraw/zinc/09/80/18/1435098018.db2.gz RUXJLBLXVOIZQH-ZJSXRUAMSA-N 0 1 394.515 3.446 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CNCc2cc(F)cc(Cl)c2)CC1 ZINC000274991484 1435108041 /nfs/dbraw/zinc/10/80/41/1435108041.db2.gz MAMQNLHSAXTWAX-UHFFFAOYSA-N 0 1 375.875 3.437 20 0 GGADMN CCOC(=O)c1cnn(C)c1NC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000275008899 1435109374 /nfs/dbraw/zinc/10/93/74/1435109374.db2.gz MLURNZXHXMZBEW-UHFFFAOYSA-N 0 1 399.476 3.026 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000275012303 1435109545 /nfs/dbraw/zinc/10/95/45/1435109545.db2.gz XKRYTTGTOIVBOX-DOTOQJQBSA-N 0 1 393.528 3.282 20 0 GGADMN COc1ccc(CNCC2=CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1OC ZINC000275031517 1435111443 /nfs/dbraw/zinc/11/14/43/1435111443.db2.gz CGNUIECZHNEJAQ-UHFFFAOYSA-N 0 1 392.496 3.369 20 0 GGADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275071704 1435114327 /nfs/dbraw/zinc/11/43/27/1435114327.db2.gz AERIKWPLFGDCCS-CJNGLKHVSA-N 0 1 393.409 3.167 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000275077349 1435114709 /nfs/dbraw/zinc/11/47/09/1435114709.db2.gz CZMZQAUHAPXIKE-JKSUJKDBSA-N 0 1 378.835 3.363 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000275086034 1435115415 /nfs/dbraw/zinc/11/54/15/1435115415.db2.gz GFOOPENCWTYBRW-GFCCVEGCSA-N 0 1 387.789 3.495 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000275104514 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20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000275275923 1435127931 /nfs/dbraw/zinc/12/79/31/1435127931.db2.gz KAEZBEZQHZYFRU-CVDCTZTESA-N 0 1 391.519 3.331 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1cc(COC(C)(C)C)on1)c1ccco1 ZINC000275283830 1435128339 /nfs/dbraw/zinc/12/83/39/1435128339.db2.gz NNNSKWGEMBGNFZ-KRWDZBQOSA-N 0 1 392.500 3.465 20 0 GGADMN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000275284409 1435128357 /nfs/dbraw/zinc/12/83/57/1435128357.db2.gz KNUTWJKFZIHLEF-HNNXBMFYSA-N 0 1 397.523 3.119 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)n1 ZINC000275312272 1435130606 /nfs/dbraw/zinc/13/06/06/1435130606.db2.gz BESHYUUMFLAYFQ-AWEZNQCLSA-N 0 1 393.875 3.079 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)C1)CCCC2 ZINC000275323254 1435131439 /nfs/dbraw/zinc/13/14/39/1435131439.db2.gz PBIULKZPGSFMNC-IUSZMWJPSA-N 0 1 381.476 3.072 20 0 GGADMN Cc1cnccc1CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000275326933 1435131512 /nfs/dbraw/zinc/13/15/12/1435131512.db2.gz FJEMROAMDQLRHA-UHFFFAOYSA-N 0 1 376.464 3.264 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000275324725 1435131524 /nfs/dbraw/zinc/13/15/24/1435131524.db2.gz LUCMFWHKBKELNN-KRWDZBQOSA-N 0 1 381.398 3.047 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cnn1C ZINC000275357047 1435133809 /nfs/dbraw/zinc/13/38/09/1435133809.db2.gz KUFXWHHHAZVILV-NHYWBVRUSA-N 0 1 393.369 3.340 20 0 GGADMN Cc1ccc(-c2ncccc2NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000275392873 1435136258 /nfs/dbraw/zinc/13/62/58/1435136258.db2.gz GRYYNKFKKYRGRU-GFCCVEGCSA-N 0 1 398.492 3.176 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cnn1C ZINC000275410179 1435137401 /nfs/dbraw/zinc/13/74/01/1435137401.db2.gz SHCPFDFOKSVASB-NHYWBVRUSA-N 0 1 375.379 3.259 20 0 GGADMN COC(=O)CCCCC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000275415639 1435137854 /nfs/dbraw/zinc/13/78/54/1435137854.db2.gz STCAEEKYDIBHHR-SFHVURJKSA-N 0 1 376.497 3.072 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1(C)C ZINC000275428599 1435138565 /nfs/dbraw/zinc/13/85/65/1435138565.db2.gz BDCYOTBRWCKKET-JXFKEZNVSA-N 0 1 377.485 3.362 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1(C)C ZINC000275428604 1435138572 /nfs/dbraw/zinc/13/85/72/1435138572.db2.gz BDCYOTBRWCKKET-OXJNMPFZSA-N 0 1 377.485 3.362 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cncn3-c3ccccc3)C1)CCCC2 ZINC000275438717 1435139387 /nfs/dbraw/zinc/13/93/87/1435139387.db2.gz VGHDEQBMPQOPBM-GOSISDBHSA-N 0 1 375.476 3.343 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc4c(c3)OCCCO4)C1)CCCC2 ZINC000275444026 1435139768 /nfs/dbraw/zinc/13/97/68/1435139768.db2.gz VRAFEOUMCAHKNS-KRWDZBQOSA-N 0 1 381.476 3.319 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@](C)(O)[C@@H](C)c3ccccc3)C1)CCCC2 ZINC000275449457 1435139918 /nfs/dbraw/zinc/13/99/18/1435139918.db2.gz DYRGQRZPKLAIIE-XKDCRVNJSA-N 0 1 381.520 3.398 20 0 GGADMN COc1ccc(-n2c(CN(CCO)C3CCOCC3)nc3ccccc32)cc1 ZINC000275489915 1435142985 /nfs/dbraw/zinc/14/29/85/1435142985.db2.gz FTIYSBQRPDPLPP-UHFFFAOYSA-N 0 1 381.476 3.007 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cccc(Cn4ccnc4)c3)C1)CCCC2 ZINC000275493590 1435143442 /nfs/dbraw/zinc/14/34/42/1435143442.db2.gz ZURULPURKMVFCL-HXUWFJFHSA-N 0 1 389.503 3.402 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000275550904 1435147698 /nfs/dbraw/zinc/14/76/98/1435147698.db2.gz VKCJCHNSFOHKAS-UHFFFAOYSA-N 0 1 377.441 3.022 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1(C)C ZINC000275663929 1435157737 /nfs/dbraw/zinc/15/77/37/1435157737.db2.gz NFHMYLXPZGLVJH-QFBILLFUSA-N 0 1 397.972 3.364 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000275692025 1435160062 /nfs/dbraw/zinc/16/00/62/1435160062.db2.gz RATIZEORUDDWRJ-GFCCVEGCSA-N 0 1 383.427 3.229 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)C1(C)C ZINC000275697837 1435160750 /nfs/dbraw/zinc/16/07/50/1435160750.db2.gz FIGLEBKHCRCPFJ-DENIHFKCSA-N 0 1 399.491 3.140 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000275702653 1435161108 /nfs/dbraw/zinc/16/11/08/1435161108.db2.gz XSDFDOCDOJUPDO-GUYCJALGSA-N 0 1 393.413 3.428 20 0 GGADMN CCOc1ccc(C2=CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)CC2)cc1 ZINC000275828404 1435173214 /nfs/dbraw/zinc/17/32/14/1435173214.db2.gz ASSMQLYFPREQEZ-UHFFFAOYSA-N 0 1 377.448 3.138 20 0 GGADMN Cc1cc(N2CCC(N[C@@H](C)c3nnn(-c4ccc(F)cc4)c3C)CC2)n[nH]1 ZINC000275859585 1435175318 /nfs/dbraw/zinc/17/53/18/1435175318.db2.gz IXRWTNGKKYGOGF-AWEZNQCLSA-N 0 1 383.475 3.066 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000275897006 1435178075 /nfs/dbraw/zinc/17/80/75/1435178075.db2.gz SVLRWLCMXVRNAP-UHFFFAOYSA-N 0 1 397.479 3.174 20 0 GGADMN CC[C@H](CN(CC)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1 ZINC000275925344 1435180069 /nfs/dbraw/zinc/18/00/69/1435180069.db2.gz MWABYHAFSOSZQN-QGZVFWFLSA-N 0 1 391.475 3.248 20 0 GGADMN CC[C@@H](CN(CC)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1 ZINC000275925341 1435180128 /nfs/dbraw/zinc/18/01/28/1435180128.db2.gz MWABYHAFSOSZQN-KRWDZBQOSA-N 0 1 391.475 3.248 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000275927318 1435180234 /nfs/dbraw/zinc/18/02/34/1435180234.db2.gz VUNRBKKVQJJVNP-LSDHHAIUSA-N 0 1 381.542 3.375 20 0 GGADMN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275941085 1435181307 /nfs/dbraw/zinc/18/13/07/1435181307.db2.gz XPOKBAWAJFYSLQ-YWZLYKJASA-N 0 1 389.459 3.036 20 0 GGADMN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275941070 1435181350 /nfs/dbraw/zinc/18/13/50/1435181350.db2.gz XPOKBAWAJFYSLQ-FOIQADDNSA-N 0 1 389.459 3.036 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cn1 ZINC000275947544 1435181928 /nfs/dbraw/zinc/18/19/28/1435181928.db2.gz KBMISFOIEJOQAE-OAHLLOKOSA-N 0 1 377.370 3.104 20 0 GGADMN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275998739 1435184690 /nfs/dbraw/zinc/18/46/90/1435184690.db2.gz RJVBRAHXZZKSSW-NSHDSACASA-N 0 1 377.370 3.190 20 0 GGADMN CC[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)C(C)(C)c1ccccc1 ZINC000276172574 1435195460 /nfs/dbraw/zinc/19/54/60/1435195460.db2.gz WSWVTQKNFWWSQK-GOSISDBHSA-N 0 1 391.475 3.078 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)n[nH]1 ZINC000276175428 1435195506 /nfs/dbraw/zinc/19/55/06/1435195506.db2.gz GSRZKHOVHNCTNQ-NWDGAFQWSA-N 0 1 393.875 3.319 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)n[nH]1 ZINC000276175437 1435195590 /nfs/dbraw/zinc/19/55/90/1435195590.db2.gz GSRZKHOVHNCTNQ-VXGBXAGGSA-N 0 1 393.875 3.319 20 0 GGADMN CCN(CCCN(C)C)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000276188238 1435196420 /nfs/dbraw/zinc/19/64/20/1435196420.db2.gz IGAGFUBWXISVOX-UHFFFAOYSA-N 0 1 388.533 3.074 20 0 GGADMN CCOC(=O)c1csc(CCNC(=O)[C@@H](c2ccccc2)N(CC)CC)n1 ZINC000276192138 1435196497 /nfs/dbraw/zinc/19/64/97/1435196497.db2.gz MPJJTWSYRQIEKA-GOSISDBHSA-N 0 1 389.521 3.062 20 0 GGADMN Cc1ccc(CN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C2CC2)cc1C ZINC000276208245 1435197692 /nfs/dbraw/zinc/19/76/92/1435197692.db2.gz ZQDHBINBKVNLLI-UHFFFAOYSA-N 0 1 389.459 3.014 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000276211020 1435197711 /nfs/dbraw/zinc/19/77/11/1435197711.db2.gz PCYQDTWJECDCSP-CQSZACIVSA-N 0 1 386.418 3.042 20 0 GGADMN COc1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c(OC)c1OC ZINC000276250949 1435200252 /nfs/dbraw/zinc/20/02/52/1435200252.db2.gz WGHLALDTFMNSQU-QGZVFWFLSA-N 0 1 376.497 3.126 20 0 GGADMN CC(=O)c1cccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)c1 ZINC000276261433 1435200862 /nfs/dbraw/zinc/20/08/62/1435200862.db2.gz BDKHUYIBNGHART-LJQANCHMSA-N 0 1 390.443 3.056 20 0 GGADMN CSCC[C@H](NCCOCC(F)(F)C(F)(F)F)c1nnc2ccccn21 ZINC000276279171 1435201716 /nfs/dbraw/zinc/20/17/16/1435201716.db2.gz TZEQGKDAWXJPAI-NSHDSACASA-N 0 1 398.401 3.327 20 0 GGADMN CC(=O)CCCc1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000276289661 1435202590 /nfs/dbraw/zinc/20/25/90/1435202590.db2.gz HNBGANFHNAGHBY-UHFFFAOYSA-N 0 1 376.888 3.444 20 0 GGADMN COc1cc(CN[C@@H](C)c2cnn(C(C)C)c2C)ccc1OCC(=O)N(C)C ZINC000276353375 1435206464 /nfs/dbraw/zinc/20/64/64/1435206464.db2.gz LQEWEZDRCHCQAI-HNNXBMFYSA-N 0 1 388.512 3.099 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cnn1C(C)C ZINC000276360762 1435206880 /nfs/dbraw/zinc/20/68/80/1435206880.db2.gz MUUJBCZBCUAFSN-LSDHHAIUSA-N 0 1 378.542 3.435 20 0 GGADMN CN1CC[C@@H](CNC(=O)N(CCO)C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276364466 1435207189 /nfs/dbraw/zinc/20/71/89/1435207189.db2.gz ZMLPJMLDSLESCT-KBXCAEBGSA-N 0 1 383.895 3.028 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000276392389 1435208961 /nfs/dbraw/zinc/20/89/61/1435208961.db2.gz PRECCUXLLHDESQ-UHFFFAOYSA-N 0 1 381.480 3.215 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)N1CCN(C2CCC2)CC1 ZINC000276398799 1435209256 /nfs/dbraw/zinc/20/92/56/1435209256.db2.gz VCPMHDAJEHMRMH-OAHLLOKOSA-N 0 1 393.915 3.457 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)N1CCN(C2CCC2)CC1 ZINC000276398795 1435209295 /nfs/dbraw/zinc/20/92/95/1435209295.db2.gz VCPMHDAJEHMRMH-HNNXBMFYSA-N 0 1 393.915 3.457 20 0 GGADMN COc1cccc(OC)c1OC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000276402607 1435209555 /nfs/dbraw/zinc/20/95/55/1435209555.db2.gz USHXFMCOWQBFDS-UHFFFAOYSA-N 0 1 395.393 3.464 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000276435201 1435211186 /nfs/dbraw/zinc/21/11/86/1435211186.db2.gz XKUNQEBKRXGWAR-VLIAUNLRSA-N 0 1 381.524 3.436 20 0 GGADMN COc1cc(-c2noc(CN([C@H](C)CO)C3CCCC3)n2)ccc1OC(F)F ZINC000276444467 1435211810 /nfs/dbraw/zinc/21/18/10/1435211810.db2.gz LSQOTGXLIGHBCG-GFCCVEGCSA-N 0 1 397.422 3.472 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276482801 1435213926 /nfs/dbraw/zinc/21/39/26/1435213926.db2.gz SFIOELVVHNFAOA-WIYYLYMNSA-N 0 1 377.488 3.265 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000276531350 1435215896 /nfs/dbraw/zinc/21/58/96/1435215896.db2.gz LHVJLGCBFVTSNN-HOCLYGCPSA-N 0 1 394.431 3.240 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000276531345 1435215950 /nfs/dbraw/zinc/21/59/50/1435215950.db2.gz LHVJLGCBFVTSNN-GOEBONIOSA-N 0 1 394.431 3.240 20 0 GGADMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)n1 ZINC000276641050 1435222222 /nfs/dbraw/zinc/22/22/22/1435222222.db2.gz MIXMNKMURHFZBU-UHFFFAOYSA-N 0 1 394.884 3.329 20 0 GGADMN COCCN(C)c1ccc(CNCc2cc(OC)ccc2OC(F)F)cn1 ZINC000276672485 1435224265 /nfs/dbraw/zinc/22/42/65/1435224265.db2.gz YSPHKOLTWUBMDX-UHFFFAOYSA-N 0 1 381.423 3.064 20 0 GGADMN C[C@H](O)[C@](C)(CNCc1c(Cl)cccc1S(C)(=O)=O)Cc1ccccc1 ZINC000276688874 1435225330 /nfs/dbraw/zinc/22/53/30/1435225330.db2.gz KBFSEXVZIOEEQB-YWZLYKJASA-N 0 1 395.952 3.463 20 0 GGADMN Cc1c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cnn1C1CCOCC1 ZINC000276717975 1435227572 /nfs/dbraw/zinc/22/75/72/1435227572.db2.gz FPOAAQUUGQBIKG-UHFFFAOYSA-N 0 1 392.419 3.327 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@@H]2CCN(Cc3ccc(OCC4CC4)cc3)C2)no1 ZINC000276724740 1435228128 /nfs/dbraw/zinc/22/81/28/1435228128.db2.gz FYKBPAWSHDBYMA-LJQANCHMSA-N 0 1 398.507 3.044 20 0 GGADMN COc1ccc([C@H](C)CCNC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000276727138 1435228356 /nfs/dbraw/zinc/22/83/56/1435228356.db2.gz AXLUNTZZSWEITO-CYBMUJFWSA-N 0 1 380.448 3.128 20 0 GGADMN COc1ccccc1-c1noc([C@@H](C)NC2CCN(c3ccccn3)CC2)n1 ZINC000276729589 1435228630 /nfs/dbraw/zinc/22/86/30/1435228630.db2.gz HDQUIIBXYOCGQJ-OAHLLOKOSA-N 0 1 379.464 3.460 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000276736424 1435228974 /nfs/dbraw/zinc/22/89/74/1435228974.db2.gz CIICIHASRBKLLW-UHFFFAOYSA-N 0 1 392.459 3.448 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n[nH]1 ZINC000276743664 1435229327 /nfs/dbraw/zinc/22/93/27/1435229327.db2.gz BHSHUKMLBARXSI-KGLIPLIRSA-N 0 1 384.484 3.437 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)NC)ccc2Cl)n[nH]1 ZINC000276758157 1435230207 /nfs/dbraw/zinc/23/02/07/1435230207.db2.gz BIXAISIMDMWODD-VHSXEESVSA-N 0 1 378.864 3.214 20 0 GGADMN COc1cc(CN(C)C(=O)C(=O)Nc2cc3cn[nH]c3cc2C)ccc1SC ZINC000276762095 1435230526 /nfs/dbraw/zinc/23/05/26/1435230526.db2.gz HCNTVDOWXHLGCS-UHFFFAOYSA-N 0 1 398.488 3.199 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1ccnn1C(C)C)c1ccco1 ZINC000276766294 1435230727 /nfs/dbraw/zinc/23/07/27/1435230727.db2.gz AUZGNUBVVZKWCC-HQRMLTQVSA-N 0 1 388.512 3.334 20 0 GGADMN COc1cc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)ccc1SC ZINC000276764558 1435230756 /nfs/dbraw/zinc/23/07/56/1435230756.db2.gz JHLXHMDHDLFEIJ-CQSZACIVSA-N 0 1 395.546 3.034 20 0 GGADMN O=C(c1cccc2n[nH]cc21)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276765205 1435230779 /nfs/dbraw/zinc/23/07/79/1435230779.db2.gz BYNQCLXIWRSKPC-KRWDZBQOSA-N 0 1 381.436 3.207 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000276768686 1435231062 /nfs/dbraw/zinc/23/10/62/1435231062.db2.gz OHOOZZYXZLMQIX-UHFFFAOYSA-N 0 1 392.459 3.127 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OCCOC)c(F)c2)n[nH]1 ZINC000276771968 1435231290 /nfs/dbraw/zinc/23/12/90/1435231290.db2.gz CMSIHFRODOZOIG-RYUDHWBXSA-N 0 1 379.436 3.365 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NC2CCN(CC(F)(F)F)CC2)n1 ZINC000276779688 1435231789 /nfs/dbraw/zinc/23/17/89/1435231789.db2.gz QIJWTLUBQZLFSF-LBPRGKRZSA-N 0 1 384.402 3.423 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)n[nH]1 ZINC000276779551 1435231877 /nfs/dbraw/zinc/23/18/77/1435231877.db2.gz AHZDBDAGDXNQQZ-NWDGAFQWSA-N 0 1 391.447 3.060 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)C2=Cc3ccccc3OCC2)n[nH]1 ZINC000276777958 1435231896 /nfs/dbraw/zinc/23/18/96/1435231896.db2.gz CWVNRQQXBISDRP-QWHCGFSZSA-N 0 1 376.482 3.122 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(OCCCOC)c2)n[nH]1 ZINC000276787617 1435232580 /nfs/dbraw/zinc/23/25/80/1435232580.db2.gz BDSKDCHQIXFMMD-GJZGRUSLSA-N 0 1 389.500 3.294 20 0 GGADMN COc1ccc([C@H]2[C@H](C(=O)Nc3cc4cn[nH]c4cc3C)CCC(=O)N2C)cc1 ZINC000276792831 1435233036 /nfs/dbraw/zinc/23/30/36/1435233036.db2.gz RCDOGBBIANDVQQ-UTKZUKDTSA-N 0 1 392.459 3.428 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)n[nH]1 ZINC000276795191 1435233131 /nfs/dbraw/zinc/23/31/31/1435233131.db2.gz BZMLATURRSRKLT-YPMHNXCESA-N 0 1 396.451 3.098 20 0 GGADMN CCCOCc1ccccc1CNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276795221 1435233178 /nfs/dbraw/zinc/23/31/78/1435233178.db2.gz LNXZTJLXNLXPCN-UHFFFAOYSA-N 0 1 380.448 3.053 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000276798936 1435233293 /nfs/dbraw/zinc/23/32/93/1435233293.db2.gz CJCDRBHRCRKDMO-RYUDHWBXSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000276798939 1435233387 /nfs/dbraw/zinc/23/33/87/1435233387.db2.gz CJCDRBHRCRKDMO-VXGBXAGGSA-N 0 1 398.492 3.258 20 0 GGADMN CCOc1cc(CN2CC[C@H](N3CCCC3=O)C2)ccc1OCC(F)(F)F ZINC000276797245 1435233412 /nfs/dbraw/zinc/23/34/12/1435233412.db2.gz LVIXZRDENIEGLM-HNNXBMFYSA-N 0 1 386.414 3.223 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000276799701 1435233521 /nfs/dbraw/zinc/23/35/21/1435233521.db2.gz GGYKMRCKBPEYGI-IHPCNDPISA-N 0 1 388.487 3.100 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN3CC[C@H](N4CCCC4=O)C3)c2)cc1 ZINC000276799773 1435233567 /nfs/dbraw/zinc/23/35/67/1435233567.db2.gz MLFFGENVTCDRFQ-FQEVSTJZSA-N 0 1 393.487 3.144 20 0 GGADMN O=C(c1cccc2[nH]cnc21)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276801492 1435233778 /nfs/dbraw/zinc/23/37/78/1435233778.db2.gz GMFXLGWCBNRQNE-MRXNPFEDSA-N 0 1 381.436 3.207 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(CCSC)cc2)n[nH]1 ZINC000276802951 1435233784 /nfs/dbraw/zinc/23/37/84/1435233784.db2.gz CUIZGZMPAWGQFV-OLZOCXBDSA-N 0 1 389.525 3.040 20 0 GGADMN Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1cc3cn[nH]c3cc1C)CCC2 ZINC000276801765 1435233824 /nfs/dbraw/zinc/23/38/24/1435233824.db2.gz MOZJRAFOPSMHLP-INIZCTEOSA-N 0 1 383.477 3.111 20 0 GGADMN Cc1c(C(=O)Nc2cc3cn[nH]c3cc2C)cnn1CCO[C@H]1CCCCO1 ZINC000276807987 1435234148 /nfs/dbraw/zinc/23/41/48/1435234148.db2.gz TWNQCJKPBKQCJD-IBGZPJMESA-N 0 1 383.452 3.172 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)n[nH]1 ZINC000276808723 1435234250 /nfs/dbraw/zinc/23/42/50/1435234250.db2.gz DLMNFWMGZMYMGI-KOLCDFICSA-N 0 1 393.875 3.105 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(SC(F)F)c2)n[nH]1 ZINC000276810541 1435234381 /nfs/dbraw/zinc/23/43/81/1435234381.db2.gz DPPBGXJLYRMNGG-VHSXEESVSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cccc(N3CCOC3=O)c2C)n[nH]1 ZINC000276822755 1435235210 /nfs/dbraw/zinc/23/52/10/1435235210.db2.gz IJEFXULIFBHWAQ-DGCLKSJQSA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)n[nH]1 ZINC000276821430 1435235223 /nfs/dbraw/zinc/23/52/23/1435235223.db2.gz FOOUUURZXHMFGR-VHSXEESVSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)n[nH]1 ZINC000276824168 1435235371 /nfs/dbraw/zinc/23/53/71/1435235371.db2.gz FTTGEMHMXPTXTL-RISCZKNCSA-N 0 1 394.479 3.299 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OCC(C)C)n[nH]1 ZINC000276826404 1435235642 /nfs/dbraw/zinc/23/56/42/1435235642.db2.gz FYBHUJWYBHVFOU-KBPBESRZSA-N 0 1 387.484 3.169 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)n[nH]1 ZINC000276830761 1435235746 /nfs/dbraw/zinc/23/57/46/1435235746.db2.gz GOZKBXSVVUTAIO-OLZOCXBDSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)n[nH]1 ZINC000276830573 1435235859 /nfs/dbraw/zinc/23/58/59/1435235859.db2.gz GNBTYLXOJOHHFF-DMDPSCGWSA-N 0 1 375.477 3.336 20 0 GGADMN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000276833749 1435236289 /nfs/dbraw/zinc/23/62/89/1435236289.db2.gz WRNPPXJGKATQIG-UHFFFAOYSA-N 0 1 386.477 3.154 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C=Cc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276838553 1435236387 /nfs/dbraw/zinc/23/63/87/1435236387.db2.gz CEFDAHXATFVWSO-RYYBZQDPSA-N 0 1 388.468 3.235 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2nccn2CCc2ccccc2)n[nH]1 ZINC000276850873 1435237296 /nfs/dbraw/zinc/23/72/96/1435237296.db2.gz IVOUEAOVQIKGSJ-CVEARBPZSA-N 0 1 395.511 3.318 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000276852026 1435237627 /nfs/dbraw/zinc/23/76/27/1435237627.db2.gz UXZRPSAHYSARMA-UHFFFAOYSA-N 0 1 391.475 3.069 20 0 GGADMN Cn1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c1 ZINC000276860422 1435237984 /nfs/dbraw/zinc/23/79/84/1435237984.db2.gz FXKZIJOGAQBTFI-ZZXKWVIFSA-N 0 1 392.425 3.448 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276871123 1435238838 /nfs/dbraw/zinc/23/88/38/1435238838.db2.gz LNXZPPXNVKKWEZ-KBPBESRZSA-N 0 1 387.484 3.313 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276871089 1435238938 /nfs/dbraw/zinc/23/89/38/1435238938.db2.gz LNHOOYUDAVQXOT-RYUDHWBXSA-N 0 1 391.447 3.062 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccc(NC(=O)OC)cc2)n[nH]1 ZINC000276869240 1435238983 /nfs/dbraw/zinc/23/89/83/1435238983.db2.gz LIUXWCYAFTYVLK-QWHCGFSZSA-N 0 1 388.472 3.099 20 0 GGADMN COCCN(C(=O)C(=O)Nc1cc2cn[nH]c2cc1C)[C@H](C)c1ccccc1 ZINC000276872879 1435239210 /nfs/dbraw/zinc/23/92/10/1435239210.db2.gz YRRKGYRVEZOUFX-OAHLLOKOSA-N 0 1 380.448 3.046 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000276875099 1435239360 /nfs/dbraw/zinc/23/93/60/1435239360.db2.gz ZEFILJGPUTUJLD-CQSZACIVSA-N 0 1 380.448 3.474 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2C(F)(F)F)n[nH]1 ZINC000276885763 1435240220 /nfs/dbraw/zinc/24/02/20/1435240220.db2.gz MUUYNWAMVHPLTC-NXEZZACHSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)n[nH]1 ZINC000276883877 1435240287 /nfs/dbraw/zinc/24/02/87/1435240287.db2.gz MSBXSZXILOZLRV-MNOVXSKESA-N 0 1 389.891 3.419 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)n[nH]1 ZINC000276899287 1435241210 /nfs/dbraw/zinc/24/12/10/1435241210.db2.gz OSIKNYZNQLREIB-LOUJCGABSA-N 0 1 389.500 3.463 20 0 GGADMN CC(=O)Nc1cccc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1C ZINC000276905979 1435241813 /nfs/dbraw/zinc/24/18/13/1435241813.db2.gz JYBXEMSEBCWAEX-KRWDZBQOSA-N 0 1 380.492 3.424 20 0 GGADMN CN1C(=O)C[C@H](NCc2cc(F)cc3c2OCOC3)[C@H]1c1ccc(F)c(F)c1 ZINC000276905503 1435241880 /nfs/dbraw/zinc/24/18/80/1435241880.db2.gz IKTPXVQPYGECFG-PKOBYXMFSA-N 0 1 392.377 3.032 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cc(OC)ccc2OC(F)F)n[nH]1 ZINC000276910408 1435242247 /nfs/dbraw/zinc/24/22/47/1435242247.db2.gz QBICSBBCLANJIF-QWRGUYRKSA-N 0 1 397.426 3.489 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000276916559 1435242718 /nfs/dbraw/zinc/24/27/18/1435242718.db2.gz QZOHPEWESAMPNL-VHSXEESVSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)n[nH]1 ZINC000276925509 1435243456 /nfs/dbraw/zinc/24/34/56/1435243456.db2.gz SDLXFAHPBTYCOH-NWDGAFQWSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccccc2)n[nH]1 ZINC000276927006 1435243775 /nfs/dbraw/zinc/24/37/75/1435243775.db2.gz SJBGBBRHHLXXSV-UONOGXRCSA-N 0 1 392.463 3.196 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)n[nH]1 ZINC000276928695 1435243978 /nfs/dbraw/zinc/24/39/78/1435243978.db2.gz STLPCEDPPSVGDH-KOLCDFICSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)n[nH]1 ZINC000276930094 1435244226 /nfs/dbraw/zinc/24/42/26/1435244226.db2.gz SWLGASOVKNQOSU-VHSXEESVSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)n[nH]1 ZINC000276933623 1435244364 /nfs/dbraw/zinc/24/43/64/1435244364.db2.gz UBYBXXVFVUHHQQ-WDEREUQCSA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)n[nH]1 ZINC000276939496 1435245177 /nfs/dbraw/zinc/24/51/77/1435245177.db2.gz NGVUXWNTCQXZEI-SOUVJXGZSA-N 0 1 386.500 3.426 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)n[nH]1 ZINC000276942064 1435245381 /nfs/dbraw/zinc/24/53/81/1435245381.db2.gz UYHXSUVTLWXSSV-NXEZZACHSA-N 0 1 399.373 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)n[nH]1 ZINC000276942067 1435245407 /nfs/dbraw/zinc/24/54/07/1435245407.db2.gz UYHXSUVTLWXSSV-UWVGGRQHSA-N 0 1 399.373 3.033 20 0 GGADMN COCCN(C)c1ccc(CNCc2ccnc(OCc3ccccc3)c2)cn1 ZINC000276941533 1435245415 /nfs/dbraw/zinc/24/54/15/1435245415.db2.gz GUEYGOQHYDXSNH-UHFFFAOYSA-N 0 1 392.503 3.428 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCCC(=O)N2CCc3ccccc32)n[nH]1 ZINC000276944000 1435245641 /nfs/dbraw/zinc/24/56/41/1435245641.db2.gz VCDKWPIHULIBIG-HUUCEWRRSA-N 0 1 398.511 3.048 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCc2ccn(-c3ccccc3)n2)n[nH]1 ZINC000276947730 1435246088 /nfs/dbraw/zinc/24/60/88/1435246088.db2.gz VMLPXBFJSXXUOB-GJZGRUSLSA-N 0 1 381.484 3.107 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000276957462 1435246817 /nfs/dbraw/zinc/24/68/17/1435246817.db2.gz WPBDZBOOHHGZEK-UWVGGRQHSA-N 0 1 399.373 3.033 20 0 GGADMN Cc1cccc(NC2CCN(C(=O)C(=O)Nc3cc4cn[nH]c4cc3C)CC2)c1 ZINC000276963831 1435247544 /nfs/dbraw/zinc/24/75/44/1435247544.db2.gz MLLDEYXGWXECLT-UHFFFAOYSA-N 0 1 391.475 3.221 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)n[nH]1 ZINC000276965557 1435247770 /nfs/dbraw/zinc/24/77/70/1435247770.db2.gz XOFKFSKYRVXMRQ-MNOVXSKESA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)n[nH]1 ZINC000276967481 1435247877 /nfs/dbraw/zinc/24/78/77/1435247877.db2.gz XUAGRTLWBOEUFH-SFYZADRCSA-N 0 1 385.802 3.066 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000276972862 1435248635 /nfs/dbraw/zinc/24/86/35/1435248635.db2.gz YHJKQGDQBDGXSM-GJZGRUSLSA-N 0 1 398.511 3.124 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000276985720 1435249908 /nfs/dbraw/zinc/24/99/08/1435249908.db2.gz HJGDDLJGWKCRIN-QGZVFWFLSA-N 0 1 377.558 3.232 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)n[nH]1 ZINC000276990496 1435250335 /nfs/dbraw/zinc/25/03/35/1435250335.db2.gz SJQYFOPGTFEJBW-YPMHNXCESA-N 0 1 398.467 3.163 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(F)ccc2OCCOC)n[nH]1 ZINC000277001238 1435251098 /nfs/dbraw/zinc/25/10/98/1435251098.db2.gz UJDQIPBRVSQHJE-RYUDHWBXSA-N 0 1 379.436 3.365 20 0 GGADMN O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277013168 1435252019 /nfs/dbraw/zinc/25/20/19/1435252019.db2.gz LTZQYQLRJAENMQ-FXAWDEMLSA-N 0 1 396.512 3.022 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)n[nH]1 ZINC000277019589 1435252477 /nfs/dbraw/zinc/25/24/77/1435252477.db2.gz WOOUFLNPDUCDEJ-YPMHNXCESA-N 0 1 384.484 3.402 20 0 GGADMN CC(C)(NC(=O)C(F)(F)F)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000277032269 1435253932 /nfs/dbraw/zinc/25/39/32/1435253932.db2.gz FJTXAMSSEQNCJM-UHFFFAOYSA-N 0 1 379.382 3.241 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000277036345 1435254794 /nfs/dbraw/zinc/25/47/94/1435254794.db2.gz ORIKITVJQUFISA-GOSISDBHSA-N 0 1 387.528 3.297 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OCCC(=O)OC)cc2)n[nH]1 ZINC000277037003 1435254816 /nfs/dbraw/zinc/25/48/16/1435254816.db2.gz YIVLTPAKOCUAGU-STQMWFEESA-N 0 1 389.456 3.143 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2C(=O)N2CCCC2)n[nH]1 ZINC000277047194 1435256107 /nfs/dbraw/zinc/25/61/07/1435256107.db2.gz MWSLSSJRRKKRJK-KBPBESRZSA-N 0 1 384.484 3.437 20 0 GGADMN CC(C)(C)n1ncc(C(=O)N2CCN(C3CCOCC3)CC2)c1-c1ccccc1 ZINC000277063049 1435258031 /nfs/dbraw/zinc/25/80/31/1435258031.db2.gz DITUTVJPXTVXMP-UHFFFAOYSA-N 0 1 396.535 3.242 20 0 GGADMN COCCc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)cc1 ZINC000277065926 1435258266 /nfs/dbraw/zinc/25/82/66/1435258266.db2.gz OBTPNXVRJMLLDZ-UHFFFAOYSA-N 0 1 388.533 3.165 20 0 GGADMN CCCn1ccnc1CCCN(C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000277065851 1435258303 /nfs/dbraw/zinc/25/83/03/1435258303.db2.gz DKAREVXPZOWODZ-UHFFFAOYSA-N 0 1 377.554 3.330 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)n[nH]1 ZINC000277065909 1435258340 /nfs/dbraw/zinc/25/83/40/1435258340.db2.gz DKCSXYDLTMYPOD-ZENOOKHLSA-N 0 1 397.483 3.354 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)n[nH]1 ZINC000277065892 1435258379 /nfs/dbraw/zinc/25/83/79/1435258379.db2.gz DKCSXYDLTMYPOD-HEHGZKQESA-N 0 1 397.483 3.354 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OC)c(OCCOC)c2)n[nH]1 ZINC000277067609 1435258572 /nfs/dbraw/zinc/25/85/72/1435258572.db2.gz PZYDAPURQNDNLU-QWHCGFSZSA-N 0 1 391.472 3.235 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000277072586 1435258992 /nfs/dbraw/zinc/25/89/92/1435258992.db2.gz FAEGZJGEYGIYMX-LJQANCHMSA-N 0 1 393.487 3.146 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccccc2Cn2cccn2)n[nH]1 ZINC000277074348 1435259343 /nfs/dbraw/zinc/25/93/43/1435259343.db2.gz BUPCAZQYVBPSGC-CABCVRRESA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)[nH]1 ZINC000277079712 1435259838 /nfs/dbraw/zinc/25/98/38/1435259838.db2.gz RYCAIIOWUKADJW-GDBMZVCRSA-N 0 1 399.543 3.261 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2(OCc3ccccc3)CCOCC2)n[nH]1 ZINC000277090347 1435261012 /nfs/dbraw/zinc/26/10/12/1435261012.db2.gz PLQSODKYZWUWKT-HZPDHXFCSA-N 0 1 386.496 3.261 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000277092770 1435261156 /nfs/dbraw/zinc/26/11/56/1435261156.db2.gz ZCVMPEVXLWJIKF-UHFFFAOYSA-N 0 1 380.423 3.183 20 0 GGADMN CC(F)(F)CC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000277091553 1435261279 /nfs/dbraw/zinc/26/12/79/1435261279.db2.gz VJKNLIOESGJKPL-UHFFFAOYSA-N 0 1 388.462 3.430 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)n[nH]1 ZINC000277108686 1435262854 /nfs/dbraw/zinc/26/28/54/1435262854.db2.gz FQJXWGPRRUNOTA-SWLSCSKDSA-N 0 1 396.499 3.076 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)n[nH]1 ZINC000277108681 1435262872 /nfs/dbraw/zinc/26/28/72/1435262872.db2.gz FQJXWGPRRUNOTA-IUODEOHRSA-N 0 1 396.499 3.076 20 0 GGADMN CCOc1ccc(NC(=O)CN[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277114651 1435263452 /nfs/dbraw/zinc/26/34/52/1435263452.db2.gz HKBYPVAXLOHJNU-IBGZPJMESA-N 0 1 380.448 3.289 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CSCC(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000277114960 1435263903 /nfs/dbraw/zinc/26/39/03/1435263903.db2.gz RXTDGDXBLPPBLL-KGLIPLIRSA-N 0 1 389.525 3.176 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2CCN(Cc3csc(C)n3)CC2)n[nH]1 ZINC000277122001 1435264591 /nfs/dbraw/zinc/26/45/91/1435264591.db2.gz STCXQJLKYYSMSW-CHWSQXEVSA-N 0 1 390.557 3.173 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C2CCN(Cc3csc(C)n3)CC2)n[nH]1 ZINC000277122011 1435264712 /nfs/dbraw/zinc/26/47/12/1435264712.db2.gz STCXQJLKYYSMSW-STQMWFEESA-N 0 1 390.557 3.173 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)n[nH]1 ZINC000277131892 1435266241 /nfs/dbraw/zinc/26/62/41/1435266241.db2.gz CSUZEBZCMUAHEF-QWRGUYRKSA-N 0 1 386.456 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)n[nH]1 ZINC000277135584 1435266563 /nfs/dbraw/zinc/26/65/63/1435266563.db2.gz USINJLCGVNGUPP-ARFHVFGLSA-N 0 1 398.511 3.440 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)n[nH]1 ZINC000277135598 1435266861 /nfs/dbraw/zinc/26/68/61/1435266861.db2.gz USINJLCGVNGUPP-XHSDSOJGSA-N 0 1 398.511 3.440 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)n1 ZINC000277136028 1435266864 /nfs/dbraw/zinc/26/68/64/1435266864.db2.gz ISZKGGSZSNVONQ-HXUWFJFHSA-N 0 1 376.460 3.379 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cn2c(CSC)nc3ccccc32)n[nH]1 ZINC000277143868 1435268036 /nfs/dbraw/zinc/26/80/36/1435268036.db2.gz VNWKIAOPLWGPGT-CHWSQXEVSA-N 0 1 386.525 3.408 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277144578 1435268440 /nfs/dbraw/zinc/26/84/40/1435268440.db2.gz AGQITZITMQYYLK-XOBRGWDASA-N 0 1 392.459 3.481 20 0 GGADMN CCCCCOc1cc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])ccc1OC ZINC000277145575 1435268473 /nfs/dbraw/zinc/26/84/73/1435268473.db2.gz CHVNAZCQDPMRDJ-SFHVURJKSA-N 0 1 378.513 3.293 20 0 GGADMN COCCN(Cc1cccnc1)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000277151270 1435269467 /nfs/dbraw/zinc/26/94/67/1435269467.db2.gz VUFOEJCGSLEAAL-OXQOHEQNSA-N 0 1 378.900 3.322 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277163757 1435271623 /nfs/dbraw/zinc/27/16/23/1435271623.db2.gz XHSBSSWBMWYXBX-ZIAGYGMSSA-N 0 1 399.495 3.239 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2)n1 ZINC000277165687 1435272085 /nfs/dbraw/zinc/27/20/85/1435272085.db2.gz BNNHKUVYLDTTAW-MLGOLLRUSA-N 0 1 385.855 3.327 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(Cn3cccn3)c2)n[nH]1 ZINC000277171869 1435273310 /nfs/dbraw/zinc/27/33/10/1435273310.db2.gz JFYPNQYCQQBGTK-LSDHHAIUSA-N 0 1 381.484 3.123 20 0 GGADMN COc1ccc(CC[C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1O ZINC000277180766 1435274731 /nfs/dbraw/zinc/27/47/31/1435274731.db2.gz HSCNTYJXPUXLCC-JXFKEZNVSA-N 0 1 397.519 3.284 20 0 GGADMN CC(=O)Nc1cccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c1C ZINC000277183525 1435275063 /nfs/dbraw/zinc/27/50/63/1435275063.db2.gz VUUFWLCHWJHVAI-UHFFFAOYSA-N 0 1 381.476 3.162 20 0 GGADMN C[C@H]1C(=O)N(Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)C(=O)N1C1CCC1 ZINC000277194607 1435276789 /nfs/dbraw/zinc/27/67/89/1435276789.db2.gz CWVXCLIRTVMPPI-ZACQAIPSSA-N 0 1 385.508 3.001 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)N2CCc3ccccc3C2)c2ccccc2)n1 ZINC000277220282 1435280186 /nfs/dbraw/zinc/28/01/86/1435280186.db2.gz FYVIGRUZAJZFBN-HRAATJIYSA-N 0 1 390.487 3.225 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)CC(C)(F)F)cc2)n[nH]1 ZINC000277218764 1435280257 /nfs/dbraw/zinc/28/02/57/1435280257.db2.gz YQZVLTYWGPEHMG-UHFFFAOYSA-N 0 1 395.410 3.480 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)CC(C)(F)F)cc2)n1 ZINC000277218764 1435280258 /nfs/dbraw/zinc/28/02/58/1435280258.db2.gz YQZVLTYWGPEHMG-UHFFFAOYSA-N 0 1 395.410 3.480 20 0 GGADMN CC(C)(C)n1ncc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1-c1ccccc1 ZINC000277225375 1435281225 /nfs/dbraw/zinc/28/12/25/1435281225.db2.gz LQAMAKMZPNPTAM-GOSISDBHSA-N 0 1 396.535 3.099 20 0 GGADMN O=C1[C@H]2Cc3ccccc3CN2C(=O)N1C[C@H](c1ccco1)N1CCCCC1 ZINC000277225141 1435281364 /nfs/dbraw/zinc/28/13/64/1435281364.db2.gz FPPCJFXDXJNZFT-RTBURBONSA-N 0 1 379.460 3.196 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC000277232452 1435282501 /nfs/dbraw/zinc/28/25/01/1435282501.db2.gz YWJOUDSZLVGJQA-OXQOHEQNSA-N 0 1 399.516 3.422 20 0 GGADMN CC(C)c1c(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cnn1-c1ccccc1 ZINC000277236960 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/nfs/dbraw/zinc/32/11/45/1435321145.db2.gz BRDCZHLGXWDABM-HUUCEWRRSA-N 0 1 393.491 3.469 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCNC(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000277675843 1435321194 /nfs/dbraw/zinc/32/11/94/1435321194.db2.gz BRDCZHLGXWDABM-GJZGRUSLSA-N 0 1 393.491 3.469 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277690220 1435322271 /nfs/dbraw/zinc/32/22/71/1435322271.db2.gz VECXAWNHWXYIKU-UHFFFAOYSA-N 0 1 396.413 3.047 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)n[nH]1 ZINC000277705344 1435323309 /nfs/dbraw/zinc/32/33/09/1435323309.db2.gz DVFTUAIFZZTBLG-CABCVRRESA-N 0 1 385.512 3.424 20 0 GGADMN O=C(NC1CC(F)(F)C1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000277736458 1435325828 /nfs/dbraw/zinc/32/58/28/1435325828.db2.gz UYBMIPKXMAQJQC-CYBMUJFWSA-N 0 1 377.357 3.377 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(-c3nnc(COC)o3)c2)n[nH]1 ZINC000277738310 1435325855 /nfs/dbraw/zinc/32/58/55/1435325855.db2.gz GTOFGDMBWNUSST-NEPJUHHUSA-N 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Cc1cc(C)c(NC(=O)CCCN2CCCC[C@H](S(C)(=O)=O)C2)c(C)c1 ZINC000277772511 1435328942 /nfs/dbraw/zinc/32/89/42/1435328942.db2.gz NFLLTYUIMKSNST-SFHVURJKSA-N 0 1 380.554 3.230 20 0 GGADMN COc1cc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)cc(OC)c1OC ZINC000277785798 1435330217 /nfs/dbraw/zinc/33/02/17/1435330217.db2.gz ZRUHKYIAQZBIKN-KRWDZBQOSA-N 0 1 383.448 3.477 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3ncsc3C(F)(F)F)c2)CC1 ZINC000277805411 1435332278 /nfs/dbraw/zinc/33/22/78/1435332278.db2.gz VWDPLAJFBKCYSX-UHFFFAOYSA-N 0 1 384.427 3.162 20 0 GGADMN CC[C@@]1(c2ccccc2)NC(=O)N(C2CCN([C@@H](C)c3ccncc3)CC2)C1=O ZINC000277813495 1435332826 /nfs/dbraw/zinc/33/28/26/1435332826.db2.gz ZYAPBHHUUMFLGQ-SBUREZEXSA-N 0 1 392.503 3.464 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277831835 1435334306 /nfs/dbraw/zinc/33/43/06/1435334306.db2.gz ROMKDNCGRMHJMY-QAPCUYQASA-N 0 1 383.414 3.134 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277831837 1435334446 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1 399.495 3.440 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H]3c3ccc[nH]3)[nH]n2)C1 ZINC000279500012 1435506452 /nfs/dbraw/zinc/50/64/52/1435506452.db2.gz MNHKULUJEUEJFR-KSSFIOAISA-N 0 1 399.495 3.440 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(OC)CC2)N2CCCC2)cc1 ZINC000279534413 1435510478 /nfs/dbraw/zinc/51/04/78/1435510478.db2.gz CFGCCEHNTSDWON-RBBKRZOGSA-N 0 1 389.540 3.433 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(OC)CC2)N2CCCC2)cc1 ZINC000279534404 1435510545 /nfs/dbraw/zinc/51/05/45/1435510545.db2.gz CFGCCEHNTSDWON-IFMALSPDSA-N 0 1 389.540 3.433 20 0 GGADMN Cc1ccccc1-n1nccc1CNCc1cc(F)ccc1N1CCOCC1 ZINC000279538445 1435511029 /nfs/dbraw/zinc/51/10/29/1435511029.db2.gz AHKNTLIVMHJGPM-UHFFFAOYSA-N 0 1 380.467 3.446 20 0 GGADMN COc1ccccc1NC(=O)C[C@@H](C)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279555309 1435512566 /nfs/dbraw/zinc/51/25/66/1435512566.db2.gz RGWDNEPGUJZZHS-HUUCEWRRSA-N 0 1 394.479 3.252 20 0 GGADMN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1CCCN1C1CC1 ZINC000279571886 1435514691 /nfs/dbraw/zinc/51/46/91/1435514691.db2.gz SYEOTSQIVNONGR-IBGZPJMESA-N 0 1 385.489 3.053 20 0 GGADMN O=C(c1ccccc1Cl)N1CCC(NCc2ncnn2-c2ccccc2)CC1 ZINC000279602512 1435517648 /nfs/dbraw/zinc/51/76/48/1435517648.db2.gz WLRVHZIYXHKTQU-UHFFFAOYSA-N 0 1 395.894 3.315 20 0 GGADMN Fc1ccc(-n2nccc2CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000279612773 1435518982 /nfs/dbraw/zinc/51/89/82/1435518982.db2.gz JHYFGPFBMFZFIX-MRXNPFEDSA-N 0 1 376.439 3.434 20 0 GGADMN CC[C@@H](CSC)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279657394 1435524941 /nfs/dbraw/zinc/52/49/41/1435524941.db2.gz BZYFLEVTAFWBGK-KGLIPLIRSA-N 0 1 396.557 3.348 20 0 GGADMN C[C@@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)O2 ZINC000279687594 1435529713 /nfs/dbraw/zinc/52/97/13/1435529713.db2.gz FVNNBXWSSWQRPK-GLJUWKHASA-N 0 1 386.414 3.302 20 0 GGADMN O=C(c1ccc2nc(-c3ccccc3)oc2c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000279707498 1435532681 /nfs/dbraw/zinc/53/26/81/1435532681.db2.gz AKHXVDJXDLLADQ-KRWDZBQOSA-N 0 1 391.471 3.289 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCc2ccc(=O)[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279755608 1435538878 /nfs/dbraw/zinc/53/88/78/1435538878.db2.gz DKAPATBOUILEQM-YWZLYKJASA-N 0 1 391.874 3.322 20 0 GGADMN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)c2ccccc21 ZINC000279764008 1435539960 /nfs/dbraw/zinc/53/99/60/1435539960.db2.gz URCYGMYBJRPTOS-RTBURBONSA-N 0 1 389.459 3.207 20 0 GGADMN CN(CCc1ccccc1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279771885 1435540731 /nfs/dbraw/zinc/54/07/31/1435540731.db2.gz SJLFBTOISXXDPJ-QGZVFWFLSA-N 0 1 398.507 3.449 20 0 GGADMN CC(=O)N[C@H](CC1CCC1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000279788542 1435543242 /nfs/dbraw/zinc/54/32/42/1435543242.db2.gz UTNPGBIFHWDHTA-HXUWFJFHSA-N 0 1 391.943 3.116 20 0 GGADMN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@H](N2CC=CC2)C1 ZINC000279791014 1435543822 /nfs/dbraw/zinc/54/38/22/1435543822.db2.gz YBFPLKOIQJGJOX-LBPRGKRZSA-N 0 1 393.875 3.476 20 0 GGADMN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)N1CCN(C2CCOCC2)CC1 ZINC000279816555 1435546792 /nfs/dbraw/zinc/54/67/92/1435546792.db2.gz PCDYDJDTEJOKQC-SAABIXHNSA-N 0 1 377.916 3.092 20 0 GGADMN C[C@H]1OCC[C@@]12C[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829227 1435548040 /nfs/dbraw/zinc/54/80/40/1435548040.db2.gz QZBUQLGJKXTMCL-PJIJBLCYSA-N 0 1 377.872 3.201 20 0 GGADMN C[C@H]1OCC[C@@]12CN(CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829227 1435548042 /nfs/dbraw/zinc/54/80/42/1435548042.db2.gz QZBUQLGJKXTMCL-PJIJBLCYSA-N 0 1 377.872 3.201 20 0 GGADMN Nc1ccccc1CCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000279832807 1435548572 /nfs/dbraw/zinc/54/85/72/1435548572.db2.gz NJQXVXAYYWSJMG-UHFFFAOYSA-N 0 1 375.476 3.393 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000279841446 1435549934 /nfs/dbraw/zinc/54/99/34/1435549934.db2.gz LKBJAYNFRSZZJI-NSHDSACASA-N 0 1 389.912 3.488 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000279841441 1435549954 /nfs/dbraw/zinc/54/99/54/1435549954.db2.gz LKBJAYNFRSZZJI-LLVKDONJSA-N 0 1 389.912 3.488 20 0 GGADMN COc1ccc(F)c2[nH]c(C(=O)NC3CCN(Cc4ccccn4)CC3)cc21 ZINC000279854053 1435552200 /nfs/dbraw/zinc/55/22/00/1435552200.db2.gz IKBRTWAHESSTSN-UHFFFAOYSA-N 0 1 382.439 3.105 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1)c1ccccc1 ZINC000279876592 1435556564 /nfs/dbraw/zinc/55/65/64/1435556564.db2.gz DGQJBIWEROHUHM-FQEVSTJZSA-N 0 1 394.475 3.073 20 0 GGADMN O=C(Cc1ccc2n[nH]cc2c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000279895263 1435559024 /nfs/dbraw/zinc/55/90/24/1435559024.db2.gz VOQGIVQGMLXQCL-UHFFFAOYSA-N 0 1 386.459 3.297 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1 ZINC000279952152 1435568831 /nfs/dbraw/zinc/56/88/31/1435568831.db2.gz BVDSBZACMYSWBS-PMACEKPBSA-N 0 1 396.487 3.090 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc4nccnc4cc3F)C1)CCCC2 ZINC000280002001 1435575163 /nfs/dbraw/zinc/57/51/63/1435575163.db2.gz LHHCUIBJAGNNLT-AWEZNQCLSA-N 0 1 379.439 3.240 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(C2CC2)cnc1Cl ZINC000280023304 1435578325 /nfs/dbraw/zinc/57/83/25/1435578325.db2.gz UINYWRYCZHZFDI-XLIONFOSSA-N 0 1 399.922 3.225 20 0 GGADMN Cc1ccccc1-n1nccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000280053646 1435583751 /nfs/dbraw/zinc/58/37/51/1435583751.db2.gz WHPYQBJPTPQJKY-QGZVFWFLSA-N 0 1 398.532 3.282 20 0 GGADMN Cc1ccccc1-n1nccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000280053640 1435583947 /nfs/dbraw/zinc/58/39/47/1435583947.db2.gz WHPYQBJPTPQJKY-KRWDZBQOSA-N 0 1 398.532 3.282 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)CCCCCO)c1cccc(C(F)(F)F)c1 ZINC000280058189 1435585088 /nfs/dbraw/zinc/58/50/88/1435585088.db2.gz PLVXAJQVHJXPAJ-INIZCTEOSA-N 0 1 375.435 3.112 20 0 GGADMN C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280091301 1435590756 /nfs/dbraw/zinc/59/07/56/1435590756.db2.gz SCRQMBXPJTWIIV-KRWDZBQOSA-N 0 1 376.522 3.421 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(C)(C)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000280101014 1435592619 /nfs/dbraw/zinc/59/26/19/1435592619.db2.gz UPCWNRIEPPBAEE-HDICACEKSA-N 0 1 388.552 3.365 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C(C)(C)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000280101014 1435592620 /nfs/dbraw/zinc/59/26/20/1435592620.db2.gz UPCWNRIEPPBAEE-HDICACEKSA-N 0 1 388.552 3.365 20 0 GGADMN CCC[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)[C@H](O)c1ccccc1 ZINC000280100415 1435592660 /nfs/dbraw/zinc/59/26/60/1435592660.db2.gz XGDPBMMHAGJUBR-FCHUYYIVSA-N 0 1 396.535 3.248 20 0 GGADMN COc1cc2c(cc1OC)[C@H](N[C@@H]1CCN(Cc3ccc(F)cc3)C1=O)CC2 ZINC000280154087 1435600296 /nfs/dbraw/zinc/60/02/96/1435600296.db2.gz QIWDFJBGKBFBDO-RTBURBONSA-N 0 1 384.451 3.221 20 0 GGADMN COc1cc2c(cc1OC)[C@H](N[C@H]1CCN(Cc3ccc(F)cc3)C1=O)CC2 ZINC000280154079 1435600444 /nfs/dbraw/zinc/60/04/44/1435600444.db2.gz QIWDFJBGKBFBDO-MOPGFXCFSA-N 0 1 384.451 3.221 20 0 GGADMN CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280155804 1435600738 /nfs/dbraw/zinc/60/07/38/1435600738.db2.gz AOWNPVLCTGZMQK-JKSUJKDBSA-N 0 1 396.944 3.100 20 0 GGADMN CC1CCN([C@@H](CNC(=O)CCC(=O)c2cnn(C)c2)c2cccs2)CC1 ZINC000280172798 1435603452 /nfs/dbraw/zinc/60/34/52/1435603452.db2.gz GXYSVZHQGWNMRN-KRWDZBQOSA-N 0 1 388.537 3.034 20 0 GGADMN CC1CCN([C@H](CNC(=O)CCC(=O)c2cnn(C)c2)c2cccs2)CC1 ZINC000280172801 1435603467 /nfs/dbraw/zinc/60/34/67/1435603467.db2.gz GXYSVZHQGWNMRN-QGZVFWFLSA-N 0 1 388.537 3.034 20 0 GGADMN C[C@H]1OCC[C@]12CN(C(=O)c1cccc3[nH]c(-c4cccs4)nc31)CCO2 ZINC000280189482 1435605956 /nfs/dbraw/zinc/60/59/56/1435605956.db2.gz VVHMPPYPDUEHLL-XCLFUZPHSA-N 0 1 383.473 3.311 20 0 GGADMN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc(C)cc3c[nH]nc32)sc1C ZINC000280217111 1435610473 /nfs/dbraw/zinc/61/04/73/1435610473.db2.gz WXACRRSZLRYMIP-AWEZNQCLSA-N 0 1 384.461 3.400 20 0 GGADMN COc1ccc([C@H](C)[C@H](C)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000280222560 1435611971 /nfs/dbraw/zinc/61/19/71/1435611971.db2.gz IYGDINJHJKYILX-JKIFEVAISA-N 0 1 375.490 3.314 20 0 GGADMN C[C@]1(O)CCCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000280239297 1435615998 /nfs/dbraw/zinc/61/59/98/1435615998.db2.gz WNUPIFFIPLSPPR-PMACEKPBSA-N 0 1 376.497 3.330 20 0 GGADMN Cc1cccc(CC2(O)CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c1 ZINC000280259276 1435620332 /nfs/dbraw/zinc/62/03/32/1435620332.db2.gz OIFCPRZEACXFCM-UHFFFAOYSA-N 0 1 376.456 3.459 20 0 GGADMN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000280270287 1435622708 /nfs/dbraw/zinc/62/27/08/1435622708.db2.gz PIUZUFWAHHBYRK-GOSISDBHSA-N 0 1 383.423 3.385 20 0 GGADMN CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000280335055 1435638360 /nfs/dbraw/zinc/63/83/60/1435638360.db2.gz GESJLPLZJHZGFO-WOJBJXKFSA-N 0 1 399.539 3.451 20 0 GGADMN O=C(CNCc1cn(Cc2ccccc2)nc1-c1cccs1)NCC(F)F ZINC000280350021 1435642062 /nfs/dbraw/zinc/64/20/62/1435642062.db2.gz SEOHWOPRWZSYLQ-UHFFFAOYSA-N 0 1 390.459 3.131 20 0 GGADMN COC(=O)CCn1nc(C)c(CNc2ccc(CN(C)C)c(Cl)c2)c1C ZINC000280361402 1435644063 /nfs/dbraw/zinc/64/40/63/1435644063.db2.gz UMKKGEGOSMMXTR-UHFFFAOYSA-N 0 1 378.904 3.390 20 0 GGADMN COCCn1cc(CN(CCc2ccccn2)Cc2ccc(OC)cc2)cn1 ZINC000280370696 1435645993 /nfs/dbraw/zinc/64/59/93/1435645993.db2.gz VJCIZEYQSMSCFG-UHFFFAOYSA-N 0 1 380.492 3.178 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cnc(C(C)C)nc3)[nH]c2c1 ZINC000280379856 1435648762 /nfs/dbraw/zinc/64/87/62/1435648762.db2.gz PKLIQZSPTNFNBA-KRWDZBQOSA-N 0 1 392.463 3.087 20 0 GGADMN O=C(c1cccs1)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000280394465 1435652214 /nfs/dbraw/zinc/65/22/14/1435652214.db2.gz GNZYOECXVXLTIH-IBGZPJMESA-N 0 1 397.544 3.087 20 0 GGADMN Cc1ccccc1-n1nccc1CNc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000280429762 1435659380 /nfs/dbraw/zinc/65/93/80/1435659380.db2.gz ZQTGMIJOIULHFJ-JOCHJYFZSA-N 0 1 389.503 3.243 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc4n[nH]cc4c3)cc2)C[C@H](C)O1 ZINC000280430127 1435659460 /nfs/dbraw/zinc/65/94/60/1435659460.db2.gz XLBWPLIJQITBCX-CALCHBBNSA-N 0 1 392.503 3.031 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N(CC1CC1)CC1CCC1 ZINC000280430051 1435659626 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ZINC000281263310 1435801429 /nfs/dbraw/zinc/80/14/29/1435801429.db2.gz VMJCFHHWVZLKAL-JKSUJKDBSA-N 0 1 376.460 3.119 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCCC[C@@H]1Cc1ccccc1 ZINC000281267330 1435801506 /nfs/dbraw/zinc/80/15/06/1435801506.db2.gz KVJMAGJXINCJSQ-HXUWFJFHSA-N 0 1 389.565 3.142 20 0 GGADMN COc1ccc(F)c2[nH]c(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc21 ZINC000281298239 1435802919 /nfs/dbraw/zinc/80/29/19/1435802919.db2.gz TUYOBHQRRRHZLP-GFCCVEGCSA-N 0 1 383.427 3.331 20 0 GGADMN C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccnn1-c1ccccc1 ZINC000281337835 1435804358 /nfs/dbraw/zinc/80/43/58/1435804358.db2.gz UKWSCJGVANEZQY-QZTJIDSGSA-N 0 1 377.492 3.343 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@@H]1c1ccccc1C ZINC000281336731 1435804441 /nfs/dbraw/zinc/80/44/41/1435804441.db2.gz QIEHKGYTQJWYGY-HXUWFJFHSA-N 0 1 375.538 3.190 20 0 GGADMN CCn1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(C(F)(F)F)n1 ZINC000281342132 1435804625 /nfs/dbraw/zinc/80/46/25/1435804625.db2.gz QURDVIBIPQHNGS-CYBMUJFWSA-N 0 1 395.429 3.272 20 0 GGADMN O=C([N-]CC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1)C(F)(F)F ZINC000281362998 1435805615 /nfs/dbraw/zinc/80/56/15/1435805615.db2.gz NXZPEVUCGDFWRS-UHFFFAOYSA-N 0 1 396.413 3.060 20 0 GGADMN CC[C@@H]1CN(CC(=O)NCc2cccc(COCc3ccco3)c2)CCCO1 ZINC000281385203 1435806595 /nfs/dbraw/zinc/80/65/95/1435806595.db2.gz MPOJVMHMMIOWON-HXUWFJFHSA-N 0 1 386.492 3.114 20 0 GGADMN COc1cccc(-c2nn(C(C)(C)C)cc2CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000281406760 1435807620 /nfs/dbraw/zinc/80/76/20/1435807620.db2.gz XXBDNCLXIUUNQT-APWZRJJASA-N 0 1 398.507 3.244 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(CNCc2ccncc2OCC(F)(F)F)cc1 ZINC000281424456 1435808445 /nfs/dbraw/zinc/80/84/45/1435808445.db2.gz ZDNFBCQYBOXKJU-ZDUSSCGKSA-N 0 1 398.381 3.253 20 0 GGADMN CSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000281443122 1435809166 /nfs/dbraw/zinc/80/91/66/1435809166.db2.gz QCKAGTCAFCSGQV-CYBMUJFWSA-N 0 1 389.546 3.275 20 0 GGADMN FCCn1ncnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000281459607 1435809768 /nfs/dbraw/zinc/80/97/68/1435809768.db2.gz MMGGHASRLWKKMP-UHFFFAOYSA-N 0 1 379.483 3.155 20 0 GGADMN COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000281474693 1435810324 /nfs/dbraw/zinc/81/03/24/1435810324.db2.gz PONHLCZTEPFJHY-GOSISDBHSA-N 0 1 396.535 3.133 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc(C)nc2C2CC2)N2CCCC2)c1 ZINC000281556001 1435813397 /nfs/dbraw/zinc/81/33/97/1435813397.db2.gz PKMIQWFULXIYDX-HXUWFJFHSA-N 0 1 380.492 3.238 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnc(C)nc2C2CC2)N2CCCC2)c1 ZINC000281555996 1435813401 /nfs/dbraw/zinc/81/34/01/1435813401.db2.gz PKMIQWFULXIYDX-FQEVSTJZSA-N 0 1 380.492 3.238 20 0 GGADMN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000281565625 1435813849 /nfs/dbraw/zinc/81/38/49/1435813849.db2.gz KADVANBHNQCFFR-JOCHJYFZSA-N 0 1 394.519 3.076 20 0 GGADMN Cc1cccc(CCNC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000281586671 1435814676 /nfs/dbraw/zinc/81/46/76/1435814676.db2.gz NISLUFXZNZBYKV-UHFFFAOYSA-N 0 1 390.491 3.307 20 0 GGADMN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000281613937 1435815752 /nfs/dbraw/zinc/81/57/52/1435815752.db2.gz XFIDFXQECXUXCE-UHFFFAOYSA-N 0 1 388.777 3.230 20 0 GGADMN CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281630012 1435816241 /nfs/dbraw/zinc/81/62/41/1435816241.db2.gz GKZFJVXIUSIILA-UHFFFAOYSA-N 0 1 399.457 3.059 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(N3CCOCC3)ccc2C)cc1 ZINC000281744663 1435820391 /nfs/dbraw/zinc/82/03/91/1435820391.db2.gz JNPKRNKORGDQFX-UHFFFAOYSA-N 0 1 392.459 3.483 20 0 GGADMN CSc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1SCC(N)=O ZINC000281750058 1435820614 /nfs/dbraw/zinc/82/06/14/1435820614.db2.gz QXEJQIVRBWWSEN-ZDUSSCGKSA-N 0 1 389.546 3.275 20 0 GGADMN COc1ccccc1-n1nccc1CNCc1cccc(C(=O)NC2CC2)c1 ZINC000281754665 1435820780 /nfs/dbraw/zinc/82/07/80/1435820780.db2.gz SGDKOSPWHFILIV-UHFFFAOYSA-N 0 1 376.460 3.063 20 0 GGADMN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000281754722 1435820808 /nfs/dbraw/zinc/82/08/08/1435820808.db2.gz KADFRPBJSHBIBS-OAQYLSRUSA-N 0 1 395.551 3.018 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000281758722 1435821019 /nfs/dbraw/zinc/82/10/19/1435821019.db2.gz FLSKEHVTRLPYMM-MRXNPFEDSA-N 0 1 384.549 3.021 20 0 GGADMN OC[C@@]1(NCc2ccc(OCc3ccccn3)cc2)CCOc2ccccc21 ZINC000281793602 1435822315 /nfs/dbraw/zinc/82/23/15/1435822315.db2.gz UTENEPLIRLLYPZ-QHCPKHFHSA-N 0 1 376.456 3.421 20 0 GGADMN O=C(NCCc1ccc2[nH]ccc2c1)NC1CCN(Cc2ccccn2)CC1 ZINC000281809936 1435822817 /nfs/dbraw/zinc/82/28/17/1435822817.db2.gz LABRGMOSVLAOBW-UHFFFAOYSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccnn1-c1ccccc1 ZINC000281825868 1435823442 /nfs/dbraw/zinc/82/34/42/1435823442.db2.gz ZYCMSVFEROXQHI-VGSWGCGISA-N 0 1 389.503 3.495 20 0 GGADMN CCCNC(=O)c1cccc(CNCc2ccnn2-c2ccccc2OC)c1 ZINC000281828519 1435823496 /nfs/dbraw/zinc/82/34/96/1435823496.db2.gz WZKXESIDONCQMT-UHFFFAOYSA-N 0 1 378.476 3.311 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000281859088 1435824552 /nfs/dbraw/zinc/82/45/52/1435824552.db2.gz LSMYGMIYBSCCOE-LAUBAEHRSA-N 0 1 396.539 3.277 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@H]2c2ccnn2C)CC1 ZINC000281859092 1435824590 /nfs/dbraw/zinc/82/45/90/1435824590.db2.gz LSMYGMIYBSCCOE-UTKZUKDTSA-N 0 1 396.539 3.277 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)N(C)CC(F)(F)F ZINC000281879170 1435825273 /nfs/dbraw/zinc/82/52/73/1435825273.db2.gz ORQSDOJUKIJLSP-NXEZZACHSA-N 0 1 386.340 3.017 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2C)c1 ZINC000281912416 1435826608 /nfs/dbraw/zinc/82/66/08/1435826608.db2.gz GNFYJUPMBXQQGA-UHFFFAOYSA-N 0 1 396.896 3.294 20 0 GGADMN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H]1CCCc2cn[nH]c21 ZINC000281927900 1435827283 /nfs/dbraw/zinc/82/72/83/1435827283.db2.gz BBKRGNUFAVPGEU-OAHLLOKOSA-N 0 1 379.386 3.487 20 0 GGADMN CC[C@]1(C)Oc2ccc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)cc2O1 ZINC000281953867 1435828385 /nfs/dbraw/zinc/82/83/85/1435828385.db2.gz CZOPBXGVVNKWAF-HRAATJIYSA-N 0 1 389.496 3.160 20 0 GGADMN COCCC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000281999151 1435830407 /nfs/dbraw/zinc/83/04/07/1435830407.db2.gz QFGZPMVSAYHWLB-FQEVSTJZSA-N 0 1 379.497 3.498 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)n[nH]1 ZINC000282015156 1435831086 /nfs/dbraw/zinc/83/10/86/1435831086.db2.gz JBHAAIHEIKJRBA-SNVBAGLBSA-N 0 1 382.390 3.128 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000282019839 1435831219 /nfs/dbraw/zinc/83/12/19/1435831219.db2.gz QEUJSNDZJZBTPO-UHFFFAOYSA-N 0 1 398.431 3.234 20 0 GGADMN COc1ccc(C(=O)N2CCN(CCCCC3CCOCC3)CC2)cc1OC ZINC000282039434 1435832108 /nfs/dbraw/zinc/83/21/08/1435832108.db2.gz QUHBVIMOKQVIEQ-UHFFFAOYSA-N 0 1 390.524 3.059 20 0 GGADMN CSc1ccccc1[C@@H](C)NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000282043261 1435832316 /nfs/dbraw/zinc/83/23/16/1435832316.db2.gz LPGDROBJYJJVAI-MRXNPFEDSA-N 0 1 391.581 3.165 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000282051970 1435832732 /nfs/dbraw/zinc/83/27/32/1435832732.db2.gz ZLBIHZJMWAHPSE-FVQBIDKESA-N 0 1 399.366 3.175 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)n[nH]1 ZINC000282052595 1435832737 /nfs/dbraw/zinc/83/27/37/1435832737.db2.gz LUBFMTRHFRAXAM-MRVPVSSYSA-N 0 1 375.326 3.330 20 0 GGADMN COCCC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1 ZINC000282096495 1435834487 /nfs/dbraw/zinc/83/44/87/1435834487.db2.gz YYUNXQIRDMPITA-LJQANCHMSA-N 0 1 394.512 3.334 20 0 GGADMN COCCC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1 ZINC000282096492 1435834505 /nfs/dbraw/zinc/83/45/05/1435834505.db2.gz YYUNXQIRDMPITA-IBGZPJMESA-N 0 1 394.512 3.334 20 0 GGADMN O=C(c1ccccc1)N1CC[C@H](CSc2nc(-c3ccccc3O)n[nH]2)C1 ZINC000282132081 1435835815 /nfs/dbraw/zinc/83/58/15/1435835815.db2.gz CQDQHOYKMUDOBW-AWEZNQCLSA-N 0 1 380.473 3.432 20 0 GGADMN Cn1cc(-c2ccc(CNc3cccc(C[N@H+]4CCC[C@H]4C(N)=O)c3)s2)cn1 ZINC000282138803 1435836035 /nfs/dbraw/zinc/83/60/35/1435836035.db2.gz ASBNCSANLZITMU-IBGZPJMESA-N 0 1 395.532 3.210 20 0 GGADMN Cn1cc(-c2ccc(CNc3cccc(CN4CCC[C@H]4C(N)=O)c3)s2)cn1 ZINC000282138803 1435836036 /nfs/dbraw/zinc/83/60/36/1435836036.db2.gz ASBNCSANLZITMU-IBGZPJMESA-N 0 1 395.532 3.210 20 0 GGADMN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC000282205344 1435838260 /nfs/dbraw/zinc/83/82/60/1435838260.db2.gz XQSBJLZUJAMZKF-UHFFFAOYSA-N 0 1 386.814 3.486 20 0 GGADMN CO[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)[C@@H](C)C1 ZINC000282207219 1435838449 /nfs/dbraw/zinc/83/84/49/1435838449.db2.gz HFNXBQWJGZOXHQ-WMZOPIPTSA-N 0 1 382.932 3.050 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000282237994 1435839642 /nfs/dbraw/zinc/83/96/42/1435839642.db2.gz IYIHJTCYCPWWRA-SFHVURJKSA-N 0 1 386.536 3.387 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(OCc3cccnc3)cc2)O1 ZINC000282346237 1435843949 /nfs/dbraw/zinc/84/39/49/1435843949.db2.gz CHAZFGDYBHQXTO-DHWLSRIRSA-N 0 1 396.487 3.344 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1ccccc1 ZINC000282361045 1435844411 /nfs/dbraw/zinc/84/44/11/1435844411.db2.gz MLRBQAZBHHIGSS-MJGOQNOKSA-N 0 1 398.507 3.109 20 0 GGADMN CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282409929 1435846309 /nfs/dbraw/zinc/84/63/09/1435846309.db2.gz DCJVWYKGAZYNDN-ROUUACIJSA-N 0 1 375.513 3.440 20 0 GGADMN Cc1ncc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C2CC2)n1 ZINC000282422965 1435846680 /nfs/dbraw/zinc/84/66/80/1435846680.db2.gz RJGITSUHDLFGKZ-LBPRGKRZSA-N 0 1 379.386 3.424 20 0 GGADMN Cc1ncc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C2CC2)n1 ZINC000282422961 1435846707 /nfs/dbraw/zinc/84/67/07/1435846707.db2.gz RJGITSUHDLFGKZ-GFCCVEGCSA-N 0 1 379.386 3.424 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(-c2cccnc2N2CCCCC2)no1 ZINC000282434279 1435847067 /nfs/dbraw/zinc/84/70/67/1435847067.db2.gz FTDXBZVKYMJJNM-ZDUSSCGKSA-N 0 1 397.401 3.498 20 0 GGADMN O=C(c1ccc(N2CCOC2=O)cc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000282440689 1435847330 /nfs/dbraw/zinc/84/73/30/1435847330.db2.gz GKYWBQGPTZOHBX-GOSISDBHSA-N 0 1 385.851 3.083 20 0 GGADMN O=C(c1ccc(N2CCOC2=O)cc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000282440694 1435847379 /nfs/dbraw/zinc/84/73/79/1435847379.db2.gz GKYWBQGPTZOHBX-SFHVURJKSA-N 0 1 385.851 3.083 20 0 GGADMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H](c2ccncc2)C1 ZINC000282449835 1435847584 /nfs/dbraw/zinc/84/75/84/1435847584.db2.gz SITMIRMVYZDJPC-SFHVURJKSA-N 0 1 397.479 3.116 20 0 GGADMN Cc1ccccc1CN1CCN(c2nnc(COCc3ccccc3)n2C)CC1 ZINC000282476532 1435848531 /nfs/dbraw/zinc/84/85/31/1435848531.db2.gz MWZNTUQXXNMSBW-UHFFFAOYSA-N 0 1 391.519 3.163 20 0 GGADMN Cn1cc(Oc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cn1 ZINC000282472815 1435848546 /nfs/dbraw/zinc/84/85/46/1435848546.db2.gz BTARYBOCIFHSCU-GOSISDBHSA-N 0 1 380.448 3.372 20 0 GGADMN Cn1c(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)nc2ccccc2c1=O ZINC000282483077 1435848820 /nfs/dbraw/zinc/84/88/20/1435848820.db2.gz HFZYJNXJOHCGDW-NRFANRHFSA-N 0 1 383.879 3.078 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000282499055 1435849250 /nfs/dbraw/zinc/84/92/50/1435849250.db2.gz NOXKJYLCHOQVBF-AWEZNQCLSA-N 0 1 378.411 3.060 20 0 GGADMN C[NH+](C)CCCOC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000282502717 1435849438 /nfs/dbraw/zinc/84/94/38/1435849438.db2.gz ONIKVDRWKTVGRC-UHFFFAOYSA-N 0 1 391.899 3.167 20 0 GGADMN CSc1cc2c(cc1CNCc1ccccc1Cn1cncn1)OCCO2 ZINC000282513428 1435849763 /nfs/dbraw/zinc/84/97/63/1435849763.db2.gz FWUIYHGBHJEAHB-UHFFFAOYSA-N 0 1 382.489 3.109 20 0 GGADMN COc1ccc(OC(C)C)c(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000282519414 1435849974 /nfs/dbraw/zinc/84/99/74/1435849974.db2.gz QKRDQUPZQJYCLT-QGZVFWFLSA-N 0 1 391.512 3.059 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282528929 1435850322 /nfs/dbraw/zinc/85/03/22/1435850322.db2.gz ZNMLVALHMHBUQK-IPELMVKDSA-N 0 1 396.453 3.380 20 0 GGADMN CC(C)[C@@H](CNC(=O)CC(C)(C)CC(=O)c1ccccc1)N1CCN(C)CC1 ZINC000282557370 1435851465 /nfs/dbraw/zinc/85/14/65/1435851465.db2.gz ZTJHKPGPGQNLSD-HXUWFJFHSA-N 0 1 387.568 3.064 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000282580311 1435852386 /nfs/dbraw/zinc/85/23/86/1435852386.db2.gz GBEARNNLECHSSA-UHFFFAOYSA-N 0 1 376.464 3.416 20 0 GGADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ncccc1Oc1ccccc1 ZINC000282601852 1435853217 /nfs/dbraw/zinc/85/32/17/1435853217.db2.gz GCZZHGKGVBQVOP-KRWDZBQOSA-N 0 1 381.476 3.199 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ncccc1Oc1ccccc1 ZINC000282601852 1435853218 /nfs/dbraw/zinc/85/32/18/1435853218.db2.gz GCZZHGKGVBQVOP-KRWDZBQOSA-N 0 1 381.476 3.199 20 0 GGADMN Cc1nc(N2CCN(C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)sc1C ZINC000282622528 1435853994 /nfs/dbraw/zinc/85/39/94/1435853994.db2.gz AGTYZWKVVUWJAT-GOSISDBHSA-N 0 1 384.549 3.044 20 0 GGADMN CC(C)COc1cccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282647246 1435855037 /nfs/dbraw/zinc/85/50/37/1435855037.db2.gz DKISKORCBPWVMZ-SFHVURJKSA-N 0 1 375.513 3.298 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000282665196 1435855607 /nfs/dbraw/zinc/85/56/07/1435855607.db2.gz IMVLTPCYWGSVLF-PMACEKPBSA-N 0 1 380.492 3.102 20 0 GGADMN CCN(C)[C@H](C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000282665196 1435855608 /nfs/dbraw/zinc/85/56/08/1435855608.db2.gz IMVLTPCYWGSVLF-PMACEKPBSA-N 0 1 380.492 3.102 20 0 GGADMN Cc1ccnc(-c2cccc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)c2)n1 ZINC000282673232 1435856019 /nfs/dbraw/zinc/85/60/19/1435856019.db2.gz HRFXUTBTGKMOKC-SFHVURJKSA-N 0 1 395.507 3.028 20 0 GGADMN CCOC(=O)[C@H]1CC[C@@H](NCc2cccnc2OCCOC)c2ccccc21 ZINC000282681490 1435856204 /nfs/dbraw/zinc/85/62/04/1435856204.db2.gz AACOCZOUODLOMQ-VQTJNVASSA-N 0 1 384.476 3.378 20 0 GGADMN CCOC(=O)[C@@H]1CC[C@@H](NCc2cccnc2OCCOC)c2ccccc21 ZINC000282681492 1435856221 /nfs/dbraw/zinc/85/62/21/1435856221.db2.gz AACOCZOUODLOMQ-WOJBJXKFSA-N 0 1 384.476 3.378 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(O[C@H]4CCN(C)C4=O)cc3C)c2[nH]1 ZINC000282730725 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20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000283107686 1435875002 /nfs/dbraw/zinc/87/50/02/1435875002.db2.gz SFLXWONCKXTLDQ-RVHYNSKXSA-N 0 1 398.507 3.191 20 0 GGADMN COCCOc1cncc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000283127763 1435875890 /nfs/dbraw/zinc/87/58/90/1435875890.db2.gz HYUSHHAZCRDNBL-MRXNPFEDSA-N 0 1 394.475 3.311 20 0 GGADMN O=C(Nc1ccc(N2CCCCCC2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000283181230 1435878192 /nfs/dbraw/zinc/87/81/92/1435878192.db2.gz DWXRKHPYQOXJHF-UHFFFAOYSA-N 0 1 386.540 3.396 20 0 GGADMN COc1cc(C(=O)N(C)[C@@H](C)C2CCCCC2)cc(NS(C)(=O)=O)c1OC ZINC000283189921 1435878499 /nfs/dbraw/zinc/87/84/99/1435878499.db2.gz LVSMPATWHYQNAW-ZDUSSCGKSA-N 0 1 398.525 3.116 20 0 GGADMN C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C)c1cc2ccccc2o1 ZINC000283200460 1435879038 /nfs/dbraw/zinc/87/90/38/1435879038.db2.gz AZJOHPUXPJQLHL-UKRRQHHQSA-N 0 1 385.489 3.091 20 0 GGADMN C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C)c1cc2ccccc2o1 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GPYAWPABKXSUJA-TXEJJXNPSA-N 0 1 385.493 3.189 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@H]1c1ccccc1 ZINC000283395039 1435887733 /nfs/dbraw/zinc/88/77/33/1435887733.db2.gz FCOUCCLDQKQPRJ-CVEARBPZSA-N 0 1 394.479 3.098 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)c2[nH]1 ZINC000283432858 1435889578 /nfs/dbraw/zinc/88/95/78/1435889578.db2.gz JJILXEGMOFEOIK-UHFFFAOYSA-N 0 1 398.850 3.249 20 0 GGADMN Cc1nc2cccc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)c2[nH]1 ZINC000283440911 1435889916 /nfs/dbraw/zinc/88/99/16/1435889916.db2.gz JZIQJYNVJBTNEW-UHFFFAOYSA-N 0 1 377.448 3.429 20 0 GGADMN O=C(Nc1ccc(OC(F)F)cc1F)N1CCN(CC2CCOCC2)CC1 ZINC000283462209 1435890974 /nfs/dbraw/zinc/89/09/74/1435890974.db2.gz LRHZPTFYMIUKKV-UHFFFAOYSA-N 0 1 387.402 3.003 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCc1nccs1 ZINC000283461510 1435891009 /nfs/dbraw/zinc/89/10/09/1435891009.db2.gz ONJKZZIBLSVAKG-UHFFFAOYSA-N 0 1 388.537 3.255 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283479870 1435891821 /nfs/dbraw/zinc/89/18/21/1435891821.db2.gz JABVEKIJHTYMMY-MRXNPFEDSA-N 0 1 385.895 3.373 20 0 GGADMN Cc1ccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2C[C@H]2CCOC2)s1 ZINC000283500389 1435892872 /nfs/dbraw/zinc/89/28/72/1435892872.db2.gz VFLISCKSPOCBNG-SJORKVTESA-N 0 1 387.553 3.026 20 0 GGADMN CC[C@]1(c2ccc(NC(=O)c3cccc4nc(C)[nH]c43)cc2)CCC(=O)NC1=O ZINC000283525046 1435893850 /nfs/dbraw/zinc/89/38/50/1435893850.db2.gz QWQNWPTZMNFZKX-JOCHJYFZSA-N 0 1 390.443 3.208 20 0 GGADMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283604461 1435897500 /nfs/dbraw/zinc/89/75/00/1435897500.db2.gz YOKPSRJTWUWWNZ-KRWDZBQOSA-N 0 1 395.532 3.002 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283604461 1435897503 /nfs/dbraw/zinc/89/75/03/1435897503.db2.gz YOKPSRJTWUWWNZ-KRWDZBQOSA-N 0 1 395.532 3.002 20 0 GGADMN CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283625445 1435898393 /nfs/dbraw/zinc/89/83/93/1435898393.db2.gz RVYXKPMDTUOUCK-SFHVURJKSA-N 0 1 395.503 3.118 20 0 GGADMN CCN(CC(=O)Nc1cccc(OC)c1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283625445 1435898394 /nfs/dbraw/zinc/89/83/94/1435898394.db2.gz RVYXKPMDTUOUCK-SFHVURJKSA-N 0 1 395.503 3.118 20 0 GGADMN CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283625439 1435898437 /nfs/dbraw/zinc/89/84/37/1435898437.db2.gz RVYXKPMDTUOUCK-GOSISDBHSA-N 0 1 395.503 3.118 20 0 GGADMN CCN(CC(=O)Nc1cccc(OC)c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283625439 1435898439 /nfs/dbraw/zinc/89/84/39/1435898439.db2.gz RVYXKPMDTUOUCK-GOSISDBHSA-N 0 1 395.503 3.118 20 0 GGADMN CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 ZINC000283658908 1435899786 /nfs/dbraw/zinc/89/97/86/1435899786.db2.gz DOYHXSPIFYISKB-UHFFFAOYSA-N 0 1 375.542 3.129 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)CC[N@@H+]1Cc1ccccc1 ZINC000283751963 1435916119 /nfs/dbraw/zinc/91/61/19/1435916119.db2.gz OTAMNBIYOFDNHT-CRAIPNDOSA-N 0 1 395.532 3.143 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)CC[N@H+]1Cc1ccccc1 ZINC000283751963 1435916120 /nfs/dbraw/zinc/91/61/20/1435916120.db2.gz OTAMNBIYOFDNHT-CRAIPNDOSA-N 0 1 395.532 3.143 20 0 GGADMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000283774392 1435920716 /nfs/dbraw/zinc/92/07/16/1435920716.db2.gz BMZBROOIUFTJMH-UHFFFAOYSA-N 0 1 396.896 3.468 20 0 GGADMN CN(Cc1ccccc1)C(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000283795933 1435925281 /nfs/dbraw/zinc/92/52/81/1435925281.db2.gz WNPOPDYHIAQIJT-UHFFFAOYSA-N 0 1 399.922 3.079 20 0 GGADMN CC(C)(C)OC(=O)NC1(c2noc(CCCCc3cn[nH]n3)n2)CCCCC1 ZINC000283804442 1435927344 /nfs/dbraw/zinc/92/73/44/1435927344.db2.gz IFNDNISLGMYLIV-UHFFFAOYSA-N 0 1 390.488 3.437 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2cncn2c1 ZINC000283816255 1435929781 /nfs/dbraw/zinc/92/97/81/1435929781.db2.gz JICAQQNELNHUGE-UHFFFAOYSA-N 0 1 398.488 3.070 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnn(Cc2ccccc2)c1Cl ZINC000283821060 1435929919 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GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2C)cc1 ZINC000283938783 1435957402 /nfs/dbraw/zinc/95/74/02/1435957402.db2.gz BEYPPRODUKMJMU-QGZVFWFLSA-N 0 1 388.533 3.098 20 0 GGADMN CCOc1ccc(C2(CNC(=O)c3ccc4cncn4c3)CCOCC2)cc1 ZINC000283948996 1435959945 /nfs/dbraw/zinc/95/99/45/1435959945.db2.gz NFFGGKSZFQBQJJ-UHFFFAOYSA-N 0 1 379.460 3.211 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000283982931 1435967071 /nfs/dbraw/zinc/96/70/71/1435967071.db2.gz CUHZCAVBBFYYIL-VVLHAWIVSA-N 0 1 380.554 3.024 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000283993266 1435970273 /nfs/dbraw/zinc/97/02/73/1435970273.db2.gz DGNHAWWBFUJTRX-OLZOCXBDSA-N 0 1 396.459 3.436 20 0 GGADMN COc1ncc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000284071066 1435984963 /nfs/dbraw/zinc/98/49/63/1435984963.db2.gz ASZCIEMHRMSLBX-OLZOCXBDSA-N 0 1 397.928 3.406 20 0 GGADMN COc1ncc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000284071073 1435985327 /nfs/dbraw/zinc/98/53/27/1435985327.db2.gz ASZCIEMHRMSLBX-STQMWFEESA-N 0 1 397.928 3.406 20 0 GGADMN CN(CCO)Cc1cc(NCc2cn(C)nc2-c2ccncc2)ccc1Cl ZINC000284085439 1435988076 /nfs/dbraw/zinc/98/80/76/1435988076.db2.gz PKQSYHFIVMGOFP-UHFFFAOYSA-N 0 1 385.899 3.172 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)[nH]1 ZINC000284103549 1435990569 /nfs/dbraw/zinc/99/05/69/1435990569.db2.gz TWXUVAKCTUFBHZ-QGZVFWFLSA-N 0 1 380.473 3.334 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)[nH]1 ZINC000284107698 1435991302 /nfs/dbraw/zinc/99/13/02/1435991302.db2.gz UEIVKBYTIARNEW-UHFFFAOYSA-N 0 1 377.448 3.170 20 0 GGADMN COc1ncc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000284119794 1435994254 /nfs/dbraw/zinc/99/42/54/1435994254.db2.gz CLISNIODSHTQJP-OLZOCXBDSA-N 0 1 397.928 3.406 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000284144511 1435998163 /nfs/dbraw/zinc/99/81/63/1435998163.db2.gz QHFFZRAJZSDACY-INIZCTEOSA-N 0 1 376.888 3.281 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H]3CCCO3)c2C1 ZINC000284180828 1436002227 /nfs/dbraw/zinc/00/22/27/1436002227.db2.gz GVCYUOOSRVLFGI-DQLDELGASA-N 0 1 399.535 3.155 20 0 GGADMN COc1ccc(Cn2cc(NC3CCN(Cc4ccccn4)CC3)cn2)cc1 ZINC000284239242 1436006361 /nfs/dbraw/zinc/00/63/61/1436006361.db2.gz DZJAQEDNZCCFRZ-UHFFFAOYSA-N 0 1 377.492 3.412 20 0 GGADMN Clc1ccc(CN2CCC(N[C@H](c3nc[nH]n3)c3cccnc3)CC2)cc1 ZINC000284238934 1436006465 /nfs/dbraw/zinc/00/64/65/1436006465.db2.gz UZWFTQWAOXHCLO-IBGZPJMESA-N 0 1 382.899 3.197 20 0 GGADMN COCCO[C@H]1C[C@H](CO)CN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284256731 1436007745 /nfs/dbraw/zinc/00/77/45/1436007745.db2.gz GBJHASDRKCLQKD-YOEHRIQHSA-N 0 1 396.940 3.309 20 0 GGADMN COCCO[C@H]1C[C@@H](CO)CN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284256714 1436007786 /nfs/dbraw/zinc/00/77/86/1436007786.db2.gz GBJHASDRKCLQKD-PBHICJAKSA-N 0 1 396.940 3.309 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000284264740 1436008184 /nfs/dbraw/zinc/00/81/84/1436008184.db2.gz SCIWVXUVNKRDDH-UHFFFAOYSA-N 0 1 390.487 3.459 20 0 GGADMN CCC[C@@H](NC(=O)C(=O)NCc1cn[nH]c1C)c1cccc(C(F)(F)F)c1 ZINC000284302666 1436011384 /nfs/dbraw/zinc/01/13/84/1436011384.db2.gz VEIWYTKHKKSPGW-OAHLLOKOSA-N 0 1 382.386 3.011 20 0 GGADMN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ccc3occ(C)c3c2)cc1 ZINC000284310906 1436012388 /nfs/dbraw/zinc/01/23/88/1436012388.db2.gz PDBDVOZEZWCXNF-LJQANCHMSA-N 0 1 395.459 3.107 20 0 GGADMN COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2ccc3occ(C)c3c2)cc1 ZINC000284310901 1436012419 /nfs/dbraw/zinc/01/24/19/1436012419.db2.gz PDBDVOZEZWCXNF-IBGZPJMESA-N 0 1 395.459 3.107 20 0 GGADMN COc1ncc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1Cl ZINC000284376762 1436016904 /nfs/dbraw/zinc/01/69/04/1436016904.db2.gz OMQNHAHNILWICJ-SCLBCKFNSA-N 0 1 388.899 3.366 20 0 GGADMN O=C(CN1CCC[C@H]1[C@H]1CCCO1)NCc1cccc(COCc2ccco2)c1 ZINC000284377801 1436017027 /nfs/dbraw/zinc/01/70/27/1436017027.db2.gz FJECJJUNFLMOMI-FCHUYYIVSA-N 0 1 398.503 3.256 20 0 GGADMN C[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000284385392 1436017478 /nfs/dbraw/zinc/01/74/78/1436017478.db2.gz OTKXLKPUDZQDSG-OAHLLOKOSA-N 0 1 382.508 3.282 20 0 GGADMN CN1CCN(CCOc2ccc(NCc3cnc(C(C)(C)C)nc3)cc2)CC1 ZINC000284416048 1436020283 /nfs/dbraw/zinc/02/02/83/1436020283.db2.gz QXAFQUKEENECDY-UHFFFAOYSA-N 0 1 383.540 3.012 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cnc(C(C)(C)C)nc2)cc1 ZINC000284419906 1436020545 /nfs/dbraw/zinc/02/05/45/1436020545.db2.gz REKLCSJFOLGRQI-UHFFFAOYSA-N 0 1 390.553 3.094 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2cccc(Cl)c2F)C1 ZINC000284439469 1436022037 /nfs/dbraw/zinc/02/20/37/1436022037.db2.gz FJMRUNGREXBSND-MFKMUULPSA-N 0 1 379.823 3.469 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc3ncsc3c2)C1 ZINC000284470993 1436023992 /nfs/dbraw/zinc/02/39/92/1436023992.db2.gz BDMDVYLRZHIFGY-OCCSQVGLSA-N 0 1 384.465 3.286 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000284471211 1436024227 /nfs/dbraw/zinc/02/42/27/1436024227.db2.gz ACTHWCPHKVZJFH-XWIASGKRSA-N 0 1 399.278 3.176 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@@H](C)c2cnc(OC)c(Cl)c2)c1 ZINC000284477672 1436024715 /nfs/dbraw/zinc/02/47/15/1436024715.db2.gz URGKBNJFTZGBQY-ZDUSSCGKSA-N 0 1 377.872 3.109 20 0 GGADMN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000284481128 1436024939 /nfs/dbraw/zinc/02/49/39/1436024939.db2.gz XXPHVWNOMCGMIP-ROUUACIJSA-N 0 1 398.469 3.455 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C(C)C)n(-c3ccccc3)n2)C1 ZINC000284482900 1436025152 /nfs/dbraw/zinc/02/51/52/1436025152.db2.gz BDXQTIXXRUUIKL-APWZRJJASA-N 0 1 394.479 3.024 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CCCN1C ZINC000284495281 1436026295 /nfs/dbraw/zinc/02/62/95/1436026295.db2.gz CFDVDGRZOIEVKG-QIYDDFJZSA-N 0 1 388.462 3.001 20 0 GGADMN CC(C)c1ccc(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000284513494 1436027216 /nfs/dbraw/zinc/02/72/16/1436027216.db2.gz DWFUUHBWQNCKBA-HRAATJIYSA-N 0 1 381.524 3.284 20 0 GGADMN CC(C)(C)c1ncc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1 ZINC000284512905 1436027275 /nfs/dbraw/zinc/02/72/75/1436027275.db2.gz YOYMVRJHBPKFOF-GOSISDBHSA-N 0 1 388.462 3.333 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C/c2cc3ccccc3o2)CCCN1C ZINC000284544487 1436029510 /nfs/dbraw/zinc/02/95/10/1436029510.db2.gz HRIXPTJRTIXLOL-SSXNJELNSA-N 0 1 378.476 3.379 20 0 GGADMN Cc1nc(NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)sc1C ZINC000284567368 1436031004 /nfs/dbraw/zinc/03/10/04/1436031004.db2.gz NZXAEHJXXFEFKP-WMLDXEAASA-N 0 1 388.541 3.231 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC4(CCOCC4)CC3)n[nH]2)cc1OC ZINC000284573758 1436031201 /nfs/dbraw/zinc/03/12/01/1436031201.db2.gz RFWCAKJPROSFRQ-UHFFFAOYSA-N 0 1 385.464 3.127 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000284572189 1436031320 /nfs/dbraw/zinc/03/13/20/1436031320.db2.gz NFPVDEIJBMRPNQ-MSOLQXFVSA-N 0 1 385.468 3.428 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000284578883 1436031651 /nfs/dbraw/zinc/03/16/51/1436031651.db2.gz IHBMYYRIAAJFJY-UXHICEINSA-N 0 1 385.487 3.005 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(F)c(F)cc2F)CCCN1C1CC1 ZINC000284585550 1436032163 /nfs/dbraw/zinc/03/21/63/1436032163.db2.gz LMVVWGVQVJLYGS-HXPMCKFVSA-N 0 1 392.425 3.183 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)C1 ZINC000284587923 1436032526 /nfs/dbraw/zinc/03/25/26/1436032526.db2.gz LTFPQLZCZACDMH-AEFFLSMTSA-N 0 1 399.495 3.008 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000284609330 1436034096 /nfs/dbraw/zinc/03/40/96/1436034096.db2.gz BBARCCGCVUHMHT-BCQZVRRWSA-N 0 1 381.839 3.138 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccco1)c1ccsc1 ZINC000284611414 1436034544 /nfs/dbraw/zinc/03/45/44/1436034544.db2.gz QBIQPWWUZSPGMK-GDBMZVCRSA-N 0 1 377.510 3.060 20 0 GGADMN Cc1noc([C@@H]2CN(C(=O)c3cc(Cl)c4ccccc4c3O)CCN2C)n1 ZINC000284614337 1436034725 /nfs/dbraw/zinc/03/47/25/1436034725.db2.gz KNWBXTVKDGMFBH-INIZCTEOSA-N 0 1 386.839 3.019 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000284622674 1436035254 /nfs/dbraw/zinc/03/52/54/1436035254.db2.gz PJUNRYRHOUGVPH-OLZOCXBDSA-N 0 1 388.777 3.388 20 0 GGADMN CC(C)n1cc([C@@H]2CN(Cc3nc4ccc(Cl)cc4n3C)C[C@H]2CO)cn1 ZINC000284625334 1436035689 /nfs/dbraw/zinc/03/56/89/1436035689.db2.gz NKROAIHUXZREIQ-RDJZCZTQSA-N 0 1 387.915 3.212 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2cc(C(F)(F)F)ccc2F)CCC(=O)N1C ZINC000284630848 1436035856 /nfs/dbraw/zinc/03/58/56/1436035856.db2.gz TYBQHLZKCNWBSI-RHSMWYFYSA-N 0 1 384.377 3.030 20 0 GGADMN COCc1ncsc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000284629373 1436035910 /nfs/dbraw/zinc/03/59/10/1436035910.db2.gz JPEANRRFBFISTM-AWEZNQCLSA-N 0 1 387.427 3.341 20 0 GGADMN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000284636652 1436036445 /nfs/dbraw/zinc/03/64/45/1436036445.db2.gz BWMYCEYPMKZGFS-IAQYHMDHSA-N 0 1 393.369 3.422 20 0 GGADMN COc1cc2c(cc1F)nccc2N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000284640622 1436036655 /nfs/dbraw/zinc/03/66/55/1436036655.db2.gz URLMWUCOIVVFKZ-HXUWFJFHSA-N 0 1 385.443 3.043 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000284649748 1436037218 /nfs/dbraw/zinc/03/72/18/1436037218.db2.gz FDQAZHHPWVKYKQ-CYBMUJFWSA-N 0 1 387.457 3.143 20 0 GGADMN COc1ccc(CN(C[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C2CC2)c(OC)c1 ZINC000284656652 1436037996 /nfs/dbraw/zinc/03/79/96/1436037996.db2.gz GFADNBYWVKEQAS-CVEARBPZSA-N 0 1 381.538 3.129 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000284658668 1436038240 /nfs/dbraw/zinc/03/82/40/1436038240.db2.gz GUOSXTOZXYVLRG-RISCZKNCSA-N 0 1 379.823 3.469 20 0 GGADMN CCc1cc(N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)nc(-c2ccncc2)n1 ZINC000284668133 1436038900 /nfs/dbraw/zinc/03/89/00/1436038900.db2.gz YMBWOIPRKCDDMY-SJORKVTESA-N 0 1 391.479 3.063 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000284701626 1436041271 /nfs/dbraw/zinc/04/12/71/1436041271.db2.gz ICJRNLVXFQQTJW-JKSUJKDBSA-N 0 1 386.517 3.109 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000284703400 1436041406 /nfs/dbraw/zinc/04/14/06/1436041406.db2.gz IEWXWEMZAFPUTK-HOTGVXAUSA-N 0 1 380.554 3.216 20 0 GGADMN CCCN(CCC)C(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000284712780 1436042074 /nfs/dbraw/zinc/04/20/74/1436042074.db2.gz OAHOPERWCXSXBC-UHFFFAOYSA-N 0 1 379.932 3.069 20 0 GGADMN CC(C)n1cc([C@@H]2CN(Cc3nc4cc(Cl)ccc4n3C)C[C@H]2CO)cn1 ZINC000284727213 1436043674 /nfs/dbraw/zinc/04/36/74/1436043674.db2.gz WOGZZJOUEMIMMM-RDJZCZTQSA-N 0 1 387.915 3.212 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000284726351 1436043717 /nfs/dbraw/zinc/04/37/17/1436043717.db2.gz VKUSUCXSJOEXOK-KGLIPLIRSA-N 0 1 393.394 3.277 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284727718 1436044028 /nfs/dbraw/zinc/04/40/28/1436044028.db2.gz IARJAUMXWIDTLP-KJMSJTNLSA-N 0 1 384.879 3.058 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000284729791 1436044229 /nfs/dbraw/zinc/04/42/29/1436044229.db2.gz JYFBFSHHHAUJQT-OAHLLOKOSA-N 0 1 378.538 3.064 20 0 GGADMN CCc1ccc2c(CN3CCC[C@](O)(c4cn(C(C)C)nn4)C3)cc(=O)oc2c1 ZINC000284736718 1436044544 /nfs/dbraw/zinc/04/45/44/1436044544.db2.gz WGGLDKZMNPQJLL-JOCHJYFZSA-N 0 1 396.491 3.011 20 0 GGADMN CC(C)n1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)C[C@H]2CO)cn1 ZINC000284741441 1436045221 /nfs/dbraw/zinc/04/52/21/1436045221.db2.gz XVQQAYJUVDWEOO-SFTDATJTSA-N 0 1 385.556 3.453 20 0 GGADMN CN1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000284748785 1436045801 /nfs/dbraw/zinc/04/58/01/1436045801.db2.gz LIGKZCLTJHDANC-QHCPKHFHSA-N 0 1 392.547 3.084 20 0 GGADMN COCOc1ccc(OC)cc1CN[C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000284748639 1436045879 /nfs/dbraw/zinc/04/58/79/1436045879.db2.gz NRHPNUVJOSVPIN-PXNSSMCTSA-N 0 1 375.469 3.075 20 0 GGADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000284747087 1436045989 /nfs/dbraw/zinc/04/59/89/1436045989.db2.gz VETHABVDPVOHCT-YADHBBJMSA-N 0 1 395.551 3.233 20 0 GGADMN CN1CCN(CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1Cc1ccccc1 ZINC000284765119 1436047591 /nfs/dbraw/zinc/04/75/91/1436047591.db2.gz MNFQMOXDYWLTLB-QGZVFWFLSA-N 0 1 375.875 3.276 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000284765439 1436047641 /nfs/dbraw/zinc/04/76/41/1436047641.db2.gz MPDJXYRRNCKLSM-JTSKRJEESA-N 0 1 379.504 3.075 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000284763827 1436047798 /nfs/dbraw/zinc/04/77/98/1436047798.db2.gz MLXQUSKWCMQMRG-VGSWGCGISA-N 0 1 379.504 3.075 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000284763824 1436047875 /nfs/dbraw/zinc/04/78/75/1436047875.db2.gz MLXQUSKWCMQMRG-VGOFRKELSA-N 0 1 379.504 3.075 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)C1 ZINC000284772411 1436048314 /nfs/dbraw/zinc/04/83/14/1436048314.db2.gz JVMZPLSRXHOVEU-SJORKVTESA-N 0 1 396.451 3.379 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)NCCC2=CCCCC2)cc1 ZINC000284777414 1436048969 /nfs/dbraw/zinc/04/89/69/1436048969.db2.gz NREMPHHEPFUFTP-INIZCTEOSA-N 0 1 378.538 3.138 20 0 GGADMN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000284799926 1436050922 /nfs/dbraw/zinc/05/09/22/1436050922.db2.gz MWLQZOSLOMBDQX-RCCFBDPRSA-N 0 1 391.899 3.448 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541270 1441432284 /nfs/dbraw/zinc/43/22/84/1441432284.db2.gz MPVWHYMFZFVTSI-WFASDCNBSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541270 1441432286 /nfs/dbraw/zinc/43/22/86/1441432286.db2.gz MPVWHYMFZFVTSI-WFASDCNBSA-N 0 1 398.442 3.032 20 0 GGADMN CC[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825139127 1441436691 /nfs/dbraw/zinc/43/66/91/1441436691.db2.gz CBKGJKHLSHKDER-AWEZNQCLSA-N 0 1 392.435 3.276 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822356804 1441440712 /nfs/dbraw/zinc/44/07/12/1441440712.db2.gz ZGABVQDVVYDLFV-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822356804 1441440715 /nfs/dbraw/zinc/44/07/15/1441440715.db2.gz ZGABVQDVVYDLFV-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822356804 1441440717 /nfs/dbraw/zinc/44/07/17/1441440717.db2.gz ZGABVQDVVYDLFV-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN COc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000821813796 1441447267 /nfs/dbraw/zinc/44/72/67/1441447267.db2.gz NBKDZOHTQIEUQU-UHFFFAOYSA-N 0 1 375.885 3.411 20 0 GGADMN C[C@H]1CCC[C@@H]([NH+]2CCC(NC3(c4cccc(-c5nnn[n-]5)c4)CC3)CC2)C1 ZINC000824929999 1441460812 /nfs/dbraw/zinc/46/08/12/1441460812.db2.gz ZDMBIMKZRQGZSH-OXJNMPFZSA-N 0 1 380.540 3.489 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000820086968 1441461352 /nfs/dbraw/zinc/46/13/52/1441461352.db2.gz IQDANRWOTOXOAB-MOPGFXCFSA-N 0 1 382.512 3.073 20 0 GGADMN c1ccc(SC[C@@H]2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)C2)cc1 ZINC000823791888 1441476072 /nfs/dbraw/zinc/47/60/72/1441476072.db2.gz LUCHPWWETPHHTI-CQSZACIVSA-N 0 1 378.505 3.369 20 0 GGADMN Cc1cc[nH+]c(N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826309227 1441478307 /nfs/dbraw/zinc/47/83/07/1441478307.db2.gz IFAJNUPVWXWOSP-DTORHVGOSA-N 0 1 380.296 3.137 20 0 GGADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821160816 1441478979 /nfs/dbraw/zinc/47/89/79/1441478979.db2.gz QSNFECSYHQUHKP-GOEBONIOSA-N 0 1 396.520 3.226 20 0 GGADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000821160816 1441478983 /nfs/dbraw/zinc/47/89/83/1441478983.db2.gz QSNFECSYHQUHKP-GOEBONIOSA-N 0 1 396.520 3.226 20 0 GGADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821160816 1441478986 /nfs/dbraw/zinc/47/89/86/1441478986.db2.gz QSNFECSYHQUHKP-GOEBONIOSA-N 0 1 396.520 3.226 20 0 GGADMN COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)c2c1 ZINC000826212032 1441495326 /nfs/dbraw/zinc/49/53/26/1441495326.db2.gz DMFNCKJOYXDTEJ-GFCCVEGCSA-N 0 1 380.427 3.389 20 0 GGADMN CCc1nnc(NCc2ccccc2C[NH+](CC)CC)c(-c2nnn[n-]2)c1CC ZINC000821542275 1441498659 /nfs/dbraw/zinc/49/86/59/1441498659.db2.gz NDNTWOMMNYOGPQ-UHFFFAOYSA-N 0 1 394.527 3.235 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000824616958 1441511438 /nfs/dbraw/zinc/51/14/38/1441511438.db2.gz BVJOTDYLQYLPFQ-SJLPKXTDSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824974533 1441516833 /nfs/dbraw/zinc/51/68/33/1441516833.db2.gz APMBMMZFCLYWSM-IIDMSEBBSA-N 0 1 398.536 3.041 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824540309 1441520666 /nfs/dbraw/zinc/52/06/66/1441520666.db2.gz WBMJXVRPSFWIGP-KHDYIWLOSA-N 0 1 396.882 3.143 20 0 GGADMN C[C@@H]1C[C@@H]1[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824898649 1441524880 /nfs/dbraw/zinc/52/48/80/1441524880.db2.gz GMZMDIZTDWKLTI-KJGCIYADSA-N 0 1 396.882 3.033 20 0 GGADMN CN(c1ccccc1)C1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000736844593 1441540708 /nfs/dbraw/zinc/54/07/08/1441540708.db2.gz WERLMZJTOFNYLI-UHFFFAOYSA-N 0 1 387.491 3.220 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233004 1441555063 /nfs/dbraw/zinc/55/50/63/1441555063.db2.gz DWKNPRFGWNFITN-IIAWOOMASA-N 0 1 394.454 3.211 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000735857589 1441572138 /nfs/dbraw/zinc/57/21/38/1441572138.db2.gz VWSPSPRKIGCTTN-UHFFFAOYSA-N 0 1 382.434 3.442 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000735857589 1441572142 /nfs/dbraw/zinc/57/21/42/1441572142.db2.gz VWSPSPRKIGCTTN-UHFFFAOYSA-N 0 1 382.434 3.442 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000735857589 1441572143 /nfs/dbraw/zinc/57/21/43/1441572143.db2.gz VWSPSPRKIGCTTN-UHFFFAOYSA-N 0 1 382.434 3.442 20 0 GGADMN C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668090 1441579335 /nfs/dbraw/zinc/57/93/35/1441579335.db2.gz PGTFZVDSJPTCNV-ZYHUDNBSSA-N 0 1 375.889 3.052 20 0 GGADMN COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccc(-c5nnn[n-]5)o4)CC3)c2c1 ZINC000826212474 1441585851 /nfs/dbraw/zinc/58/58/51/1441585851.db2.gz RLJURIYJRSJTPA-UHFFFAOYSA-N 0 1 376.420 3.239 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737077491 1441592499 /nfs/dbraw/zinc/59/24/99/1441592499.db2.gz UXVDNAPRNKRBFP-LJQANCHMSA-N 0 1 395.463 3.100 20 0 GGADMN Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000826288062 1441600892 /nfs/dbraw/zinc/60/08/92/1441600892.db2.gz PHHFRUWTUKESDC-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826288062 1441600895 /nfs/dbraw/zinc/60/08/95/1441600895.db2.gz PHHFRUWTUKESDC-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826288062 1441600897 /nfs/dbraw/zinc/60/08/97/1441600897.db2.gz PHHFRUWTUKESDC-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN CC(=O)Nc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000735488815 1441604089 /nfs/dbraw/zinc/60/40/89/1441604089.db2.gz OJHYQJBUEFHXDT-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(=O)Nc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000735488815 1441604091 /nfs/dbraw/zinc/60/40/91/1441604091.db2.gz OJHYQJBUEFHXDT-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(=O)Nc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000735488815 1441604094 /nfs/dbraw/zinc/60/40/94/1441604094.db2.gz OJHYQJBUEFHXDT-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820015150 1441606024 /nfs/dbraw/zinc/60/60/24/1441606024.db2.gz ATSJGRIKSOSYKZ-LJQANCHMSA-N 0 1 392.479 3.035 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820642226 1441608844 /nfs/dbraw/zinc/60/88/44/1441608844.db2.gz GXURCGIHNOXHLU-BEFAXECRSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642226 1441608850 /nfs/dbraw/zinc/60/88/50/1441608850.db2.gz GXURCGIHNOXHLU-BEFAXECRSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642226 1441608854 /nfs/dbraw/zinc/60/88/54/1441608854.db2.gz GXURCGIHNOXHLU-BEFAXECRSA-N 0 1 376.464 3.073 20 0 GGADMN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)c(Br)c1 ZINC000825966213 1441641111 /nfs/dbraw/zinc/64/11/11/1441641111.db2.gz SWQBEAIGUJHIGD-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(Br)c(C)c2)cc1-c1nn[n-]n1 ZINC000826202910 1441643822 /nfs/dbraw/zinc/64/38/22/1441643822.db2.gz SHQIDAURBBNUCB-UHFFFAOYSA-N 0 1 388.269 3.236 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000737032695 1441648739 /nfs/dbraw/zinc/64/87/39/1441648739.db2.gz KJVPRQDJEAKOGD-LBPRGKRZSA-N 0 1 388.497 3.020 20 0 GGADMN CC[N@@H+](Cc1ccccc1OCCOC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439690 1441658853 /nfs/dbraw/zinc/65/88/53/1441658853.db2.gz KSBVAFRHVTWYEY-MRXNPFEDSA-N 0 1 381.480 3.475 20 0 GGADMN CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862228 1441678684 /nfs/dbraw/zinc/67/86/84/1441678684.db2.gz PWVJMXBVZZWBQE-CMPLNLGQSA-N 0 1 376.530 3.383 20 0 GGADMN CC[NH+](CC)[C@H](CNc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1 ZINC000825412337 1441684800 /nfs/dbraw/zinc/68/48/00/1441684800.db2.gz OVMRYPKSKBITJJ-MRXNPFEDSA-N 0 1 376.468 3.009 20 0 GGADMN OCCC[C@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826508974 1441694670 /nfs/dbraw/zinc/69/46/70/1441694670.db2.gz HYIWYEFBWZDPLK-HXUWFJFHSA-N 0 1 393.491 3.183 20 0 GGADMN OCCC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826508974 1441694674 /nfs/dbraw/zinc/69/46/74/1441694674.db2.gz HYIWYEFBWZDPLK-HXUWFJFHSA-N 0 1 393.491 3.183 20 0 GGADMN OCCC[C@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826508974 1441694677 /nfs/dbraw/zinc/69/46/77/1441694677.db2.gz HYIWYEFBWZDPLK-HXUWFJFHSA-N 0 1 393.491 3.183 20 0 GGADMN Brc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823826331 1441703949 /nfs/dbraw/zinc/70/39/49/1441703949.db2.gz HTVCOHDMTUJINQ-AWEZNQCLSA-N 0 1 391.317 3.084 20 0 GGADMN CC[NH+]1CCC(CCNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825453122 1441704554 /nfs/dbraw/zinc/70/45/54/1441704554.db2.gz SIDIWJZKJVIJJU-UHFFFAOYSA-N 0 1 397.310 3.025 20 0 GGADMN COc1cc(F)c([C@@H](C)[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1OC ZINC000826180003 1441709363 /nfs/dbraw/zinc/70/93/63/1441709363.db2.gz ONRCSRDFKXURNB-GFCCVEGCSA-N 0 1 383.427 3.363 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820758733 1441718731 /nfs/dbraw/zinc/71/87/31/1441718731.db2.gz CIPDXDKOQCCLHU-DGCLKSJQSA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758733 1441718737 /nfs/dbraw/zinc/71/87/37/1441718737.db2.gz CIPDXDKOQCCLHU-DGCLKSJQSA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758733 1441718743 /nfs/dbraw/zinc/71/87/43/1441718743.db2.gz CIPDXDKOQCCLHU-DGCLKSJQSA-N 0 1 389.916 3.299 20 0 GGADMN C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736761889 1441725143 /nfs/dbraw/zinc/72/51/43/1441725143.db2.gz VXMMOVQNNOLGMK-ZDUSSCGKSA-N 0 1 395.364 3.134 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160412 1441735522 /nfs/dbraw/zinc/73/55/22/1441735522.db2.gz JISOXDOHHAQBRS-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160412 1441735525 /nfs/dbraw/zinc/73/55/25/1441735525.db2.gz JISOXDOHHAQBRS-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821000269 1441745867 /nfs/dbraw/zinc/74/58/67/1441745867.db2.gz BPVOZDBMUDMMPR-UONOGXRCSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821000269 1441745869 /nfs/dbraw/zinc/74/58/69/1441745869.db2.gz BPVOZDBMUDMMPR-UONOGXRCSA-N 0 1 389.891 3.001 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821000269 1441745873 /nfs/dbraw/zinc/74/58/73/1441745873.db2.gz BPVOZDBMUDMMPR-UONOGXRCSA-N 0 1 389.891 3.001 20 0 GGADMN Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737340420 1441746250 /nfs/dbraw/zinc/74/62/50/1441746250.db2.gz FQSDQMVAOWVNHT-NSHDSACASA-N 0 1 390.900 3.349 20 0 GGADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737340420 1441746252 /nfs/dbraw/zinc/74/62/52/1441746252.db2.gz FQSDQMVAOWVNHT-NSHDSACASA-N 0 1 390.900 3.349 20 0 GGADMN C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824545552 1441747834 /nfs/dbraw/zinc/74/78/34/1441747834.db2.gz DBKUKTNNVPMDJH-AWEZNQCLSA-N 0 1 398.461 3.460 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826184264 1441766346 /nfs/dbraw/zinc/76/63/46/1441766346.db2.gz QMKFXZAPTFKYQG-HNAYVOBHSA-N 0 1 379.464 3.133 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@@H+]3CCOC[C@@H]3C3CC3)c2)c1 ZINC000826516055 1441767343 /nfs/dbraw/zinc/76/73/43/1441767343.db2.gz VMMHNAJPYDDGII-OAQYLSRUSA-N 0 1 391.475 3.057 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@H+]3CCOC[C@@H]3C3CC3)c2)c1 ZINC000826516055 1441767346 /nfs/dbraw/zinc/76/73/46/1441767346.db2.gz VMMHNAJPYDDGII-OAQYLSRUSA-N 0 1 391.475 3.057 20 0 GGADMN Cc1noc(C)c1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737538088 1441769465 /nfs/dbraw/zinc/76/94/65/1441769465.db2.gz ROTQCPIHPBFNQL-UHFFFAOYSA-N 0 1 390.447 3.340 20 0 GGADMN Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737427324 1441780234 /nfs/dbraw/zinc/78/02/34/1441780234.db2.gz COQSLBAGIGMCOU-ZDUSSCGKSA-N 0 1 384.871 3.288 20 0 GGADMN Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737427324 1441780238 /nfs/dbraw/zinc/78/02/38/1441780238.db2.gz COQSLBAGIGMCOU-ZDUSSCGKSA-N 0 1 384.871 3.288 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820294887 1441785643 /nfs/dbraw/zinc/78/56/43/1441785643.db2.gz WHLKPTRQHGSTHW-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN COc1ccc([C@H]([NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1 ZINC000821778319 1441818906 /nfs/dbraw/zinc/81/89/06/1441818906.db2.gz YEGWZHYBUYQJRD-HXUWFJFHSA-N 0 1 394.479 3.191 20 0 GGADMN CCCC[NH+]1CCC(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825285196 1441821336 /nfs/dbraw/zinc/82/13/36/1441821336.db2.gz MLGUVYMVEFRLIK-UHFFFAOYSA-N 0 1 397.310 3.168 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824572166 1441821531 /nfs/dbraw/zinc/82/15/31/1441821531.db2.gz TZNKCDGAUPLTMN-BDJLRTHQSA-N 0 1 388.269 3.013 20 0 GGADMN C[NH+]1CCC([C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)C2)CC1 ZINC000826022382 1441821662 /nfs/dbraw/zinc/82/16/62/1441821662.db2.gz LHZHVOPFWKDNAP-ZDUSSCGKSA-N 0 1 380.418 3.054 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822965072 1441837864 /nfs/dbraw/zinc/83/78/64/1441837864.db2.gz ZCAROMRFRGMRGR-QGZVFWFLSA-N 0 1 382.855 3.296 20 0 GGADMN CN(C)C(=O)Sc1cccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821614738 1441850493 /nfs/dbraw/zinc/85/04/93/1441850493.db2.gz SNTXCBQQVXZRDM-UHFFFAOYSA-N 0 1 382.493 3.272 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000737031319 1441850932 /nfs/dbraw/zinc/85/09/32/1441850932.db2.gz FPHXRXFCFCIWID-LJQANCHMSA-N 0 1 393.491 3.351 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000737031319 1441850935 /nfs/dbraw/zinc/85/09/35/1441850935.db2.gz FPHXRXFCFCIWID-LJQANCHMSA-N 0 1 393.491 3.351 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000737031319 1441850937 /nfs/dbraw/zinc/85/09/37/1441850937.db2.gz FPHXRXFCFCIWID-LJQANCHMSA-N 0 1 393.491 3.351 20 0 GGADMN Brc1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000823827092 1441855524 /nfs/dbraw/zinc/85/55/24/1441855524.db2.gz UKQHPQFQUJJVOT-UHFFFAOYSA-N 0 1 395.264 3.467 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820420340 1441855733 /nfs/dbraw/zinc/85/57/33/1441855733.db2.gz PDWQXROOGZBBCB-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821769757 1441867181 /nfs/dbraw/zinc/86/71/81/1441867181.db2.gz KOACXDXBXSCJDR-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN Cc1c(Cl)cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826240487 1441873310 /nfs/dbraw/zinc/87/33/10/1441873310.db2.gz VWQPSBAZVRMBQX-UHFFFAOYSA-N 0 1 383.887 3.431 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736238458 1441876944 /nfs/dbraw/zinc/87/69/44/1441876944.db2.gz ZEBTWTOCIGXABO-ZFWWWQNUSA-N 0 1 396.882 3.337 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736198321 1441880203 /nfs/dbraw/zinc/88/02/03/1441880203.db2.gz SGLUHJVTSZDAQM-RBSFLKMASA-N 0 1 386.500 3.257 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000824938235 1441897120 /nfs/dbraw/zinc/89/71/20/1441897120.db2.gz UZGVWPGDRQDLPJ-ZIAGYGMSSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824938235 1441897122 /nfs/dbraw/zinc/89/71/22/1441897122.db2.gz UZGVWPGDRQDLPJ-ZIAGYGMSSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824938235 1441897124 /nfs/dbraw/zinc/89/71/24/1441897124.db2.gz UZGVWPGDRQDLPJ-ZIAGYGMSSA-N 0 1 376.455 3.236 20 0 GGADMN FC(F)(F)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826368730 1441901951 /nfs/dbraw/zinc/90/19/51/1441901951.db2.gz ZOKOZNPGAGALKV-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826368730 1441901953 /nfs/dbraw/zinc/90/19/53/1441901953.db2.gz ZOKOZNPGAGALKV-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824413336 1441902839 /nfs/dbraw/zinc/90/28/39/1441902839.db2.gz KTOKMMDHZIEJEU-IIBYNOLFSA-N 0 1 376.508 3.354 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1c1ccccc1 ZINC000826029469 1441904878 /nfs/dbraw/zinc/90/48/78/1441904878.db2.gz SLGHRWDDTAQAJQ-IAGOWNOFSA-N 0 1 397.870 3.087 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683063 1441905193 /nfs/dbraw/zinc/90/51/93/1441905193.db2.gz XTBWGFQIEZJKMZ-ROUUACIJSA-N 0 1 390.447 3.269 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351195 1441919571 /nfs/dbraw/zinc/91/95/71/1441919571.db2.gz LOXQMTJLMHPUKJ-UZLBHIALSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351195 1441919573 /nfs/dbraw/zinc/91/95/73/1441919573.db2.gz LOXQMTJLMHPUKJ-UZLBHIALSA-N 0 1 379.464 3.016 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823672314 1441920493 /nfs/dbraw/zinc/92/04/93/1441920493.db2.gz CMPIMPLCUOPKAU-HXUWFJFHSA-N 0 1 375.432 3.196 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccc(-c4nn[n-]n4)o3)cc2)C1 ZINC000820650853 1441921070 /nfs/dbraw/zinc/92/10/70/1441921070.db2.gz XPHQFVIOTWLLAP-HZPDHXFCSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)C1 ZINC000820650853 1441921072 /nfs/dbraw/zinc/92/10/72/1441921072.db2.gz XPHQFVIOTWLLAP-HZPDHXFCSA-N 0 1 380.496 3.227 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000826182952 1441921451 /nfs/dbraw/zinc/92/14/51/1441921451.db2.gz ZIBFZLINNOZWDM-UHFFFAOYSA-N 0 1 394.479 3.222 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000826182952 1441921453 /nfs/dbraw/zinc/92/14/53/1441921453.db2.gz ZIBFZLINNOZWDM-UHFFFAOYSA-N 0 1 394.479 3.222 20 0 GGADMN COC(=O)[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644687 1441934264 /nfs/dbraw/zinc/93/42/64/1441934264.db2.gz GMDOCWCPYMHMQD-IBGZPJMESA-N 0 1 392.463 3.183 20 0 GGADMN COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2F)cc1OC ZINC000826179989 1441938559 /nfs/dbraw/zinc/93/85/59/1441938559.db2.gz NZQOWLCHZFXZCF-JTQLQIEISA-N 0 1 375.379 3.013 20 0 GGADMN O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823313502 1441939130 /nfs/dbraw/zinc/93/91/30/1441939130.db2.gz CSRZZJKBGRAKEJ-INIZCTEOSA-N 0 1 396.882 3.371 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823313502 1441939132 /nfs/dbraw/zinc/93/91/32/1441939132.db2.gz CSRZZJKBGRAKEJ-INIZCTEOSA-N 0 1 396.882 3.371 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823313502 1441939134 /nfs/dbraw/zinc/93/91/34/1441939134.db2.gz CSRZZJKBGRAKEJ-INIZCTEOSA-N 0 1 396.882 3.371 20 0 GGADMN CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825399578 1441940772 /nfs/dbraw/zinc/94/07/72/1441940772.db2.gz YGZYGUAFNVVDDX-MRXNPFEDSA-N 0 1 392.507 3.270 20 0 GGADMN c1ccc([C@@H]([NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H]2CCOC2)cc1 ZINC000826520195 1441942744 /nfs/dbraw/zinc/94/27/44/1441942744.db2.gz CHPSHCBSNWGYCA-AZUAARDMSA-N 0 1 379.464 3.003 20 0 GGADMN COCCC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000821686136 1441946507 /nfs/dbraw/zinc/94/65/07/1441946507.db2.gz BLNLJXOAIAFOHG-UHFFFAOYSA-N 0 1 393.491 3.352 20 0 GGADMN CCC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccn1 ZINC000825242115 1441950787 /nfs/dbraw/zinc/95/07/87/1441950787.db2.gz IMNZYWIMJOPDDV-OAQYLSRUSA-N 0 1 391.523 3.357 20 0 GGADMN CCCC[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736439374 1441961630 /nfs/dbraw/zinc/96/16/30/1441961630.db2.gz PLOJTKOBSNQKCK-QGZVFWFLSA-N 0 1 384.528 3.117 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821769756 1441969202 /nfs/dbraw/zinc/96/92/02/1441969202.db2.gz KOACXDXBXSCJDR-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN CC[C@H](C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC000825121827 1441982591 /nfs/dbraw/zinc/98/25/91/1441982591.db2.gz VRSVLVOBGQIYPT-MRXNPFEDSA-N 0 1 377.496 3.014 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821702158 1441983215 /nfs/dbraw/zinc/98/32/15/1441983215.db2.gz JQULQAATHNIFKO-CRAIPNDOSA-N 0 1 379.464 3.132 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000737146663 1441991079 /nfs/dbraw/zinc/99/10/79/1441991079.db2.gz ITYGGORQGAQWAF-LJQANCHMSA-N 0 1 379.464 3.481 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000737640432 1441998259 /nfs/dbraw/zinc/99/82/59/1441998259.db2.gz WTXRWJYMPONDPJ-UHFFFAOYSA-N 0 1 381.455 3.435 20 0 GGADMN c1ccc2c(c1)CC[C@@H](C[N@H+]1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)C2 ZINC000826513795 1442001258 /nfs/dbraw/zinc/00/12/58/1442001258.db2.gz WHSLRUKTDTYZEF-IIBYNOLFSA-N 0 1 375.476 3.045 20 0 GGADMN c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513795 1442001261 /nfs/dbraw/zinc/00/12/61/1442001261.db2.gz WHSLRUKTDTYZEF-IIBYNOLFSA-N 0 1 375.476 3.045 20 0 GGADMN c1ccc2c(c1)CC[C@@H](C[N@H+]1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513795 1442001265 /nfs/dbraw/zinc/00/12/65/1442001265.db2.gz WHSLRUKTDTYZEF-IIBYNOLFSA-N 0 1 375.476 3.045 20 0 GGADMN CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821383951 1442002991 /nfs/dbraw/zinc/00/29/91/1442002991.db2.gz MVGIOIBSBMLSFC-UHFFFAOYSA-N 0 1 385.443 3.019 20 0 GGADMN COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191641 1442009924 /nfs/dbraw/zinc/00/99/24/1442009924.db2.gz MAIZTXFFHMGOEP-LSDHHAIUSA-N 0 1 381.480 3.413 20 0 GGADMN CC(C)CSCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824276058 1442012898 /nfs/dbraw/zinc/01/28/98/1442012898.db2.gz YPZNGNHFTVIAOE-UHFFFAOYSA-N 0 1 385.541 3.136 20 0 GGADMN COc1cccc(CCC[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737131370 1442014832 /nfs/dbraw/zinc/01/48/32/1442014832.db2.gz ONBANQYYLNTPKT-UHFFFAOYSA-N 0 1 393.491 3.351 20 0 GGADMN c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738412053 1442022277 /nfs/dbraw/zinc/02/22/77/1442022277.db2.gz FPVOJYXJBSYVQB-UHFFFAOYSA-N 0 1 392.444 3.009 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000825323383 1442026460 /nfs/dbraw/zinc/02/64/60/1442026460.db2.gz VGBXRCJMSXGETC-SFHVURJKSA-N 0 1 380.496 3.336 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000825323383 1442026462 /nfs/dbraw/zinc/02/64/62/1442026462.db2.gz VGBXRCJMSXGETC-SFHVURJKSA-N 0 1 380.496 3.336 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000825323383 1442026466 /nfs/dbraw/zinc/02/64/66/1442026466.db2.gz VGBXRCJMSXGETC-SFHVURJKSA-N 0 1 380.496 3.336 20 0 GGADMN Clc1nsc(Nc2cccc(CC[NH+]3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826354625 1442026835 /nfs/dbraw/zinc/02/68/35/1442026835.db2.gz NLPQIWJHOYHLDH-UHFFFAOYSA-N 0 1 375.889 3.359 20 0 GGADMN CCC[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736473876 1442045120 /nfs/dbraw/zinc/04/51/20/1442045120.db2.gz UREHQOWHEMAOAS-GUDVDZBRSA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736473876 1442045122 /nfs/dbraw/zinc/04/51/22/1442045122.db2.gz UREHQOWHEMAOAS-GUDVDZBRSA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000736473876 1442045123 /nfs/dbraw/zinc/04/51/23/1442045123.db2.gz UREHQOWHEMAOAS-GUDVDZBRSA-N 0 1 385.512 3.161 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819940014 1442063159 /nfs/dbraw/zinc/06/31/59/1442063159.db2.gz NLZIWCUAVVARRT-OCCSQVGLSA-N 0 1 392.529 3.101 20 0 GGADMN CCOc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000825654351 1442063207 /nfs/dbraw/zinc/06/32/07/1442063207.db2.gz YCKIXIMJAIKKTB-UHFFFAOYSA-N 0 1 378.480 3.342 20 0 GGADMN C[N@H+](Cc1ccccc1)C[C@H](O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825980688 1442075711 /nfs/dbraw/zinc/07/57/11/1442075711.db2.gz GTNMKMBKIXQISH-HNNXBMFYSA-N 0 1 389.912 3.105 20 0 GGADMN CC(C)(C)c1nc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc[nH+]1 ZINC000824142888 1442078780 /nfs/dbraw/zinc/07/87/80/1442078780.db2.gz ZGGBTIXULMLGBU-UHFFFAOYSA-N 0 1 394.483 3.151 20 0 GGADMN C[C@H]([NH2+]CCNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824599044 1442089685 /nfs/dbraw/zinc/08/96/85/1442089685.db2.gz LJWZCGMNPWEAPS-ZDUSSCGKSA-N 0 1 377.427 3.317 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360771 1442091901 /nfs/dbraw/zinc/09/19/01/1442091901.db2.gz XLQRKVCPTFZPDY-QHCPKHFHSA-N 0 1 399.502 3.431 20 0 GGADMN Cn1cc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360771 1442091903 /nfs/dbraw/zinc/09/19/03/1442091903.db2.gz XLQRKVCPTFZPDY-QHCPKHFHSA-N 0 1 399.502 3.431 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360771 1442091905 /nfs/dbraw/zinc/09/19/05/1442091905.db2.gz XLQRKVCPTFZPDY-QHCPKHFHSA-N 0 1 399.502 3.431 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577170 1442093272 /nfs/dbraw/zinc/09/32/72/1442093272.db2.gz HMVZYMAYKGENRQ-JSGCOSHPSA-N 0 1 390.463 3.056 20 0 GGADMN C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821607539 1442096420 /nfs/dbraw/zinc/09/64/20/1442096420.db2.gz SVTVEIMWTYZLJF-MRXNPFEDSA-N 0 1 378.263 3.339 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822486384 1442106920 /nfs/dbraw/zinc/10/69/20/1442106920.db2.gz IBIYXYVKDILUCC-ZDUSSCGKSA-N 0 1 391.401 3.135 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000826184177 1442108877 /nfs/dbraw/zinc/10/88/77/1442108877.db2.gz NELCWFRUKGPJBC-HXUWFJFHSA-N 0 1 379.464 3.133 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)CC3 ZINC000826293494 1442115160 /nfs/dbraw/zinc/11/51/60/1442115160.db2.gz QXBWCLBUNMVNGW-OAHLLOKOSA-N 0 1 376.439 3.443 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160411 1442122573 /nfs/dbraw/zinc/12/25/73/1442122573.db2.gz JISOXDOHHAQBRS-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN Cn1cc(C[NH2+]CCc2ccccc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361667 1442128638 /nfs/dbraw/zinc/12/86/38/1442128638.db2.gz IAUOCHJNVUEPTC-UHFFFAOYSA-N 0 1 393.882 3.253 20 0 GGADMN c1c2c([nH+]c(NCCCc3nc4c(s3)CCCC4)c1-c1nnn[n-]1)CCC2 ZINC000738405202 1442130255 /nfs/dbraw/zinc/13/02/55/1442130255.db2.gz MXPJZZGPHWTZIU-UHFFFAOYSA-N 0 1 381.509 3.130 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000822332420 1442132510 /nfs/dbraw/zinc/13/25/10/1442132510.db2.gz POCIICHGDSAOPT-SFHVURJKSA-N 0 1 399.502 3.434 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000822332420 1442132514 /nfs/dbraw/zinc/13/25/14/1442132514.db2.gz POCIICHGDSAOPT-SFHVURJKSA-N 0 1 399.502 3.434 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000822332420 1442132520 /nfs/dbraw/zinc/13/25/20/1442132520.db2.gz POCIICHGDSAOPT-SFHVURJKSA-N 0 1 399.502 3.434 20 0 GGADMN FC(F)Oc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826370114 1442155218 /nfs/dbraw/zinc/15/52/18/1442155218.db2.gz DYYOYKVVRPQYGM-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826370114 1442155222 /nfs/dbraw/zinc/15/52/22/1442155222.db2.gz DYYOYKVVRPQYGM-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2c(Cl)cccc2Cl)[nH+]1 ZINC000737242853 1442160610 /nfs/dbraw/zinc/16/06/10/1442160610.db2.gz ZNPWMVUXHNHYJZ-LBPRGKRZSA-N 0 1 379.251 3.331 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820664905 1442161821 /nfs/dbraw/zinc/16/18/21/1442161821.db2.gz CTDOZUYWSMGOED-LIRRHRJNSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)[C@H]1C ZINC000820722918 1442168301 /nfs/dbraw/zinc/16/83/01/1442168301.db2.gz RJKIXVFGQUUWAM-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)[C@H]1C ZINC000820722918 1442168304 /nfs/dbraw/zinc/16/83/04/1442168304.db2.gz RJKIXVFGQUUWAM-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)[C@H]1C ZINC000820722918 1442168307 /nfs/dbraw/zinc/16/83/07/1442168307.db2.gz RJKIXVFGQUUWAM-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000820761531 1442168387 /nfs/dbraw/zinc/16/83/87/1442168387.db2.gz XDSRBDUDJDTOGT-GUYCJALGSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820761531 1442168389 /nfs/dbraw/zinc/16/83/89/1442168389.db2.gz XDSRBDUDJDTOGT-GUYCJALGSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000820761531 1442168392 /nfs/dbraw/zinc/16/83/92/1442168392.db2.gz XDSRBDUDJDTOGT-GUYCJALGSA-N 0 1 383.887 3.238 20 0 GGADMN CC(C)C[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261480 1442194244 /nfs/dbraw/zinc/19/42/44/1442194244.db2.gz LIFGALXMTOZMLU-UHFFFAOYSA-N 0 1 375.480 3.412 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000820980726 1442194359 /nfs/dbraw/zinc/19/43/59/1442194359.db2.gz MYESFGSNKZXBFZ-OAHLLOKOSA-N 0 1 385.516 3.197 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000820980726 1442194364 /nfs/dbraw/zinc/19/43/64/1442194364.db2.gz MYESFGSNKZXBFZ-OAHLLOKOSA-N 0 1 385.516 3.197 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000820980726 1442194368 /nfs/dbraw/zinc/19/43/68/1442194368.db2.gz MYESFGSNKZXBFZ-OAHLLOKOSA-N 0 1 385.516 3.197 20 0 GGADMN C[C@@H]1C[N@H+](CCCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820760639 1442194722 /nfs/dbraw/zinc/19/47/22/1442194722.db2.gz RJUHDXGOEQUSJN-BETUJISGSA-N 0 1 398.433 3.187 20 0 GGADMN CC(C)Oc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1-c1nn[n-]n1 ZINC000824329397 1442197233 /nfs/dbraw/zinc/19/72/33/1442197233.db2.gz ORQHIFLIUSMYMD-UHFFFAOYSA-N 0 1 393.495 3.125 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822235049 1442203325 /nfs/dbraw/zinc/20/33/25/1442203325.db2.gz PSCNGCZTJHNYGN-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822235049 1442203332 /nfs/dbraw/zinc/20/33/32/1442203332.db2.gz PSCNGCZTJHNYGN-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822235049 1442203337 /nfs/dbraw/zinc/20/33/37/1442203337.db2.gz PSCNGCZTJHNYGN-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000826183369 1442205873 /nfs/dbraw/zinc/20/58/73/1442205873.db2.gz NNKHWSRLFKGVLK-HNNXBMFYSA-N 0 1 383.477 3.174 20 0 GGADMN Cc1nc2c(s1)[C@H]([N@@H+](C)CCCOc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000822458619 1442206127 /nfs/dbraw/zinc/20/61/27/1442206127.db2.gz FZQFDZCLVDTVRU-QGZVFWFLSA-N 0 1 384.509 3.410 20 0 GGADMN COc1ccc(CC[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)CC(C)(C)C)cc1 ZINC000826192550 1442214795 /nfs/dbraw/zinc/21/47/95/1442214795.db2.gz RWCDWONFKNFDDA-UHFFFAOYSA-N 0 1 380.496 3.361 20 0 GGADMN COc1ccc(CC[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC(C)(C)C)cc1 ZINC000826192550 1442214797 /nfs/dbraw/zinc/21/47/97/1442214797.db2.gz RWCDWONFKNFDDA-UHFFFAOYSA-N 0 1 380.496 3.361 20 0 GGADMN COc1ccc(CC[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)CC(C)(C)C)cc1 ZINC000826192550 1442214801 /nfs/dbraw/zinc/21/48/01/1442214801.db2.gz RWCDWONFKNFDDA-UHFFFAOYSA-N 0 1 380.496 3.361 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000826274820 1442225784 /nfs/dbraw/zinc/22/57/84/1442225784.db2.gz GFABDTMCYGYKCZ-HNNXBMFYSA-N 0 1 390.369 3.167 20 0 GGADMN Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2cc(F)ccc2[nH+]1 ZINC000826269815 1442242401 /nfs/dbraw/zinc/24/24/01/1442242401.db2.gz YIRXKSQAKQOBCP-FQEVSTJZSA-N 0 1 390.422 3.440 20 0 GGADMN c1nc(C2CC2)sc1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826514369 1442245795 /nfs/dbraw/zinc/24/57/95/1442245795.db2.gz PPFGEUAWKFJAQE-UHFFFAOYSA-N 0 1 382.493 3.244 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1)CC1CC1 ZINC000825419672 1442246185 /nfs/dbraw/zinc/24/61/85/1442246185.db2.gz RIDQDJURHSVXBW-UHFFFAOYSA-N 0 1 397.527 3.233 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)CC1CC1 ZINC000825419672 1442246188 /nfs/dbraw/zinc/24/61/88/1442246188.db2.gz RIDQDJURHSVXBW-UHFFFAOYSA-N 0 1 397.527 3.233 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)CC1CC1 ZINC000825419672 1442246191 /nfs/dbraw/zinc/24/61/91/1442246191.db2.gz RIDQDJURHSVXBW-UHFFFAOYSA-N 0 1 397.527 3.233 20 0 GGADMN C[C@H](CCc1ccco1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824414120 1442255407 /nfs/dbraw/zinc/25/54/07/1442255407.db2.gz UPVWPSNIEYARNN-MRXNPFEDSA-N 0 1 380.496 3.035 20 0 GGADMN CC[C@H]1[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001139851710 1442269941 /nfs/dbraw/zinc/26/99/41/1442269941.db2.gz DRHHFVCVZWIIBV-KNQAVFIVSA-N 0 1 394.523 3.012 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578292 1442283268 /nfs/dbraw/zinc/28/32/68/1442283268.db2.gz SBGGZHDDNGXNBO-SJKOYZFVSA-N 0 1 382.855 3.364 20 0 GGADMN C[C@H]1C[C@H]1c1ccc(CNC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824898907 1442317564 /nfs/dbraw/zinc/31/75/64/1442317564.db2.gz GVDBEBUFNSGBHR-MGPUTAFESA-N 0 1 392.507 3.337 20 0 GGADMN C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824898907 1442317568 /nfs/dbraw/zinc/31/75/68/1442317568.db2.gz GVDBEBUFNSGBHR-MGPUTAFESA-N 0 1 392.507 3.337 20 0 GGADMN OC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000823727185 1442335334 /nfs/dbraw/zinc/33/53/34/1442335334.db2.gz SAUANYJEUSRFBN-RUCARUNLSA-N 0 1 393.491 3.086 20 0 GGADMN CCCN(CC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000825313655 1442336184 /nfs/dbraw/zinc/33/61/84/1442336184.db2.gz NIYWNMPYEZWSAB-ZDUSSCGKSA-N 0 1 392.479 3.304 20 0 GGADMN CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821042486 1442336289 /nfs/dbraw/zinc/33/62/89/1442336289.db2.gz CKMDGJDWWDVEIW-OAHLLOKOSA-N 0 1 392.479 3.179 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570992 1442341049 /nfs/dbraw/zinc/34/10/49/1442341049.db2.gz PBXXOCYGEQIXSR-MRXNPFEDSA-N 0 1 376.508 3.354 20 0 GGADMN c1cnn(Cc2cccc(C[NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)c2)c1 ZINC000826515972 1442357459 /nfs/dbraw/zinc/35/74/59/1442357459.db2.gz RWVZVCDCHPOAPK-NRFANRHFSA-N 0 1 385.475 3.279 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1Cl ZINC000824544856 1442361198 /nfs/dbraw/zinc/36/11/98/1442361198.db2.gz ADEYPWVNNUMHOS-SCLBCKFNSA-N 0 1 396.882 3.366 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccs1 ZINC000821623631 1442362136 /nfs/dbraw/zinc/36/21/36/1442362136.db2.gz OWFWZHYBTUERHF-PBHICJAKSA-N 0 1 397.508 3.133 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000736900094 1442362549 /nfs/dbraw/zinc/36/25/49/1442362549.db2.gz CNCKJLXJRGYQAV-HXUWFJFHSA-N 0 1 391.475 3.036 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2cc(-c3nnn[n-]3)cs2)C[C@@H]2CCCO2)cc1 ZINC000826287352 1442369169 /nfs/dbraw/zinc/36/91/69/1442369169.db2.gz LRVJVUIONVRKGY-SFHVURJKSA-N 0 1 383.521 3.460 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1CCC2(CCCC2)C1 ZINC000819877272 1442373920 /nfs/dbraw/zinc/37/39/20/1442373920.db2.gz RYKOYIQPOYTLMK-GFCCVEGCSA-N 0 1 386.525 3.010 20 0 GGADMN Cc1ccc([C@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)[NH+]2CCOCC2)cc1 ZINC000737320835 1442377317 /nfs/dbraw/zinc/37/73/17/1442377317.db2.gz WIHHGOKVZISKEN-IBGZPJMESA-N 0 1 398.898 3.314 20 0 GGADMN C[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820727311 1442382481 /nfs/dbraw/zinc/38/24/81/1442382481.db2.gz KPQRXUWKSVWIAV-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727311 1442382486 /nfs/dbraw/zinc/38/24/86/1442382486.db2.gz KPQRXUWKSVWIAV-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727311 1442382491 /nfs/dbraw/zinc/38/24/91/1442382491.db2.gz KPQRXUWKSVWIAV-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353249 1442384460 /nfs/dbraw/zinc/38/44/60/1442384460.db2.gz ZNWJJHICSYPPNW-QAPCUYQASA-N 0 1 381.480 3.081 20 0 GGADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820571233 1442396103 /nfs/dbraw/zinc/39/61/03/1442396103.db2.gz WJUKFWSBSQLJSE-HNNXBMFYSA-N 0 1 395.511 3.426 20 0 GGADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820571233 1442396107 /nfs/dbraw/zinc/39/61/07/1442396107.db2.gz WJUKFWSBSQLJSE-HNNXBMFYSA-N 0 1 395.511 3.426 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605477 1442404218 /nfs/dbraw/zinc/40/42/18/1442404218.db2.gz HWDPYBZXTOGLBH-LBPRGKRZSA-N 0 1 395.854 3.463 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820225287 1442415676 /nfs/dbraw/zinc/41/56/76/1442415676.db2.gz FRGWBPDJYYQANI-NSHDSACASA-N 0 1 388.834 3.166 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000826168738 1442421492 /nfs/dbraw/zinc/42/14/92/1442421492.db2.gz XAOFVXHTFLOFAR-UHFFFAOYSA-N 0 1 395.307 3.192 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000826168738 1442421493 /nfs/dbraw/zinc/42/14/93/1442421493.db2.gz XAOFVXHTFLOFAR-UHFFFAOYSA-N 0 1 395.307 3.192 20 0 GGADMN COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826098431 1442421505 /nfs/dbraw/zinc/42/15/05/1442421505.db2.gz DXTXKVHPKPDRKY-KRWDZBQOSA-N 0 1 383.427 3.036 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cc1-c1nnn[n-]1 ZINC000826201763 1442424113 /nfs/dbraw/zinc/42/41/13/1442424113.db2.gz DBTOVDAWHKPYSJ-LLVKDONJSA-N 0 1 397.870 3.266 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1)c1ccco1 ZINC000826502701 1442429321 /nfs/dbraw/zinc/42/93/21/1442429321.db2.gz IZPPFRZFAJQXET-MRXNPFEDSA-N 0 1 381.461 3.257 20 0 GGADMN Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826298869 1442437881 /nfs/dbraw/zinc/43/78/81/1442437881.db2.gz JJXDGDSWJLMAKS-MRXNPFEDSA-N 0 1 388.475 3.291 20 0 GGADMN Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826298869 1442437884 /nfs/dbraw/zinc/43/78/84/1442437884.db2.gz JJXDGDSWJLMAKS-MRXNPFEDSA-N 0 1 388.475 3.291 20 0 GGADMN COCCCOc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826157091 1442440309 /nfs/dbraw/zinc/44/03/09/1442440309.db2.gz HMJSYZGLMHIDFF-NRFANRHFSA-N 0 1 393.491 3.449 20 0 GGADMN FC(F)(F)C1(C(F)(F)F)CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737625660 1442444561 /nfs/dbraw/zinc/44/45/61/1442444561.db2.gz ALELEHDJNGUIFX-UHFFFAOYSA-N 0 1 392.307 3.072 20 0 GGADMN c1csc(-c2noc(CCC[NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)c1 ZINC000826513114 1442455698 /nfs/dbraw/zinc/45/56/98/1442455698.db2.gz AIIDOIVVJDDKDD-UHFFFAOYSA-N 0 1 393.476 3.190 20 0 GGADMN CC(C)C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC000824236224 1442465756 /nfs/dbraw/zinc/46/57/56/1442465756.db2.gz NEYGFRRXVFXYJI-SFTDATJTSA-N 0 1 398.555 3.014 20 0 GGADMN c1nc(C2CC2)sc1C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826517650 1442472881 /nfs/dbraw/zinc/47/28/81/1442472881.db2.gz KLWJPVGXEISMQQ-UHFFFAOYSA-N 0 1 382.493 3.244 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2nc3ccccn3c2-c2nnn[n-]2)[C@@H]1c1cccs1 ZINC000826029034 1442481145 /nfs/dbraw/zinc/48/11/45/1442481145.db2.gz MXAGDASLKDSOBT-CZUORRHYSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@@H+]1CCC[C@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000826029034 1442481147 /nfs/dbraw/zinc/48/11/47/1442481147.db2.gz MXAGDASLKDSOBT-CZUORRHYSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000826029034 1442481150 /nfs/dbraw/zinc/48/11/50/1442481150.db2.gz MXAGDASLKDSOBT-CZUORRHYSA-N 0 1 394.508 3.071 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C[C@H]1C ZINC000824955382 1442481441 /nfs/dbraw/zinc/48/14/41/1442481441.db2.gz ORBPGTPTUXJCHL-QWHCGFSZSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1C ZINC000824955382 1442481443 /nfs/dbraw/zinc/48/14/43/1442481443.db2.gz ORBPGTPTUXJCHL-QWHCGFSZSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1C ZINC000824955382 1442481445 /nfs/dbraw/zinc/48/14/45/1442481445.db2.gz ORBPGTPTUXJCHL-QWHCGFSZSA-N 0 1 388.541 3.114 20 0 GGADMN C[NH+](C)[C@@H](CNc1ccc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC000736760233 1443067747 /nfs/dbraw/zinc/06/77/47/1443067747.db2.gz QSEVFRPAMZMHNL-INIZCTEOSA-N 0 1 387.285 3.344 20 0 GGADMN Cc1c(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822088871 1443068941 /nfs/dbraw/zinc/06/89/41/1443068941.db2.gz APKFDGOVUZPAGF-WBVHZDCISA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822088871 1443068943 /nfs/dbraw/zinc/06/89/43/1443068943.db2.gz APKFDGOVUZPAGF-WBVHZDCISA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822088871 1443068946 /nfs/dbraw/zinc/06/89/46/1443068946.db2.gz APKFDGOVUZPAGF-WBVHZDCISA-N 0 1 391.479 3.132 20 0 GGADMN Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000822230863 1443072385 /nfs/dbraw/zinc/07/23/85/1443072385.db2.gz SIAWTVUXYKUPOG-INIZCTEOSA-N 0 1 377.496 3.198 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)ccc1F ZINC000824562894 1443074569 /nfs/dbraw/zinc/07/45/69/1443074569.db2.gz KTBWLTSAROJCHU-VIFPVBQESA-N 0 1 392.797 3.088 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735598016 1443085822 /nfs/dbraw/zinc/08/58/22/1443085822.db2.gz WLZFAKGLZKNZQN-AWEZNQCLSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735598016 1443085825 /nfs/dbraw/zinc/08/58/25/1443085825.db2.gz WLZFAKGLZKNZQN-AWEZNQCLSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735598016 1443085828 /nfs/dbraw/zinc/08/58/28/1443085828.db2.gz WLZFAKGLZKNZQN-AWEZNQCLSA-N 0 1 388.541 3.256 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360742 1443089993 /nfs/dbraw/zinc/08/99/93/1443089993.db2.gz WFWDAIMFPBGUCT-NRFANRHFSA-N 0 1 399.502 3.474 20 0 GGADMN Cn1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360742 1443089996 /nfs/dbraw/zinc/08/99/96/1443089996.db2.gz WFWDAIMFPBGUCT-NRFANRHFSA-N 0 1 399.502 3.474 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360742 1443090000 /nfs/dbraw/zinc/09/00/00/1443090000.db2.gz WFWDAIMFPBGUCT-NRFANRHFSA-N 0 1 399.502 3.474 20 0 GGADMN c1ccc2c(c1)nc(NCc1cc[nH+]c(N3CCCCC3)c1)cc2-c1nnn[n-]1 ZINC000738432084 1443097939 /nfs/dbraw/zinc/09/79/39/1443097939.db2.gz DMUQYCVOZYPUKP-UHFFFAOYSA-N 0 1 386.463 3.412 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000735595164 1443098218 /nfs/dbraw/zinc/09/82/18/1443098218.db2.gz DYPKKGXOYQHJKE-CYBMUJFWSA-N 0 1 376.530 3.405 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000735595164 1443098219 /nfs/dbraw/zinc/09/82/19/1443098219.db2.gz DYPKKGXOYQHJKE-CYBMUJFWSA-N 0 1 376.530 3.405 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000735595164 1443098221 /nfs/dbraw/zinc/09/82/21/1443098221.db2.gz DYPKKGXOYQHJKE-CYBMUJFWSA-N 0 1 376.530 3.405 20 0 GGADMN COC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000826153749 1443102903 /nfs/dbraw/zinc/10/29/03/1443102903.db2.gz YRWHPYGYOLAPCS-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN COC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826153749 1443102906 /nfs/dbraw/zinc/10/29/06/1443102906.db2.gz YRWHPYGYOLAPCS-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN COC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826153749 1443102908 /nfs/dbraw/zinc/10/29/08/1443102908.db2.gz YRWHPYGYOLAPCS-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000825144069 1443105642 /nfs/dbraw/zinc/10/56/42/1443105642.db2.gz YEDSBTSKVPCZJH-GTNSWQLSSA-N 0 1 386.406 3.213 20 0 GGADMN C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824590253 1443119960 /nfs/dbraw/zinc/11/99/60/1443119960.db2.gz ASUJQQHAZFWAGG-CYBMUJFWSA-N 0 1 393.426 3.339 20 0 GGADMN OC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000823727186 1443129596 /nfs/dbraw/zinc/12/95/96/1443129596.db2.gz SAUANYJEUSRFBN-UWUNEBHHSA-N 0 1 393.491 3.086 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736481573 1443140620 /nfs/dbraw/zinc/14/06/20/1443140620.db2.gz WOLVJCJEDSJKMR-IPELMVKDSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736481573 1443140622 /nfs/dbraw/zinc/14/06/22/1443140622.db2.gz WOLVJCJEDSJKMR-IPELMVKDSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000736481573 1443140625 /nfs/dbraw/zinc/14/06/25/1443140625.db2.gz WOLVJCJEDSJKMR-IPELMVKDSA-N 0 1 380.496 3.145 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824613269 1443156457 /nfs/dbraw/zinc/15/64/57/1443156457.db2.gz SCPPIXXDKHVNAC-INIZCTEOSA-N 0 1 390.491 3.344 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668489 1443170084 /nfs/dbraw/zinc/17/00/84/1443170084.db2.gz TYBSERWZMZAKNB-KUHUBIRLSA-N 0 1 394.454 3.418 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@H](C4CC[NH+](C)CC4)C3)c2c1 ZINC000826263834 1443182105 /nfs/dbraw/zinc/18/21/05/1443182105.db2.gz SEWHMJWQHTUKDR-KRWDZBQOSA-N 0 1 391.523 3.200 20 0 GGADMN Cc1ccccc1OCCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826307663 1443184321 /nfs/dbraw/zinc/18/43/21/1443184321.db2.gz RFJXMKAPGBTLGI-FQEVSTJZSA-N 0 1 379.464 3.018 20 0 GGADMN Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826307663 1443184326 /nfs/dbraw/zinc/18/43/26/1443184326.db2.gz RFJXMKAPGBTLGI-FQEVSTJZSA-N 0 1 379.464 3.018 20 0 GGADMN Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826307663 1443184331 /nfs/dbraw/zinc/18/43/31/1443184331.db2.gz RFJXMKAPGBTLGI-FQEVSTJZSA-N 0 1 379.464 3.018 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000736322959 1443185606 /nfs/dbraw/zinc/18/56/06/1443185606.db2.gz SFUBJROBQYUSLV-GFCCVEGCSA-N 0 1 399.474 3.082 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[NH+](CCc2ccccc2)CC1 ZINC000737408086 1443194071 /nfs/dbraw/zinc/19/40/71/1443194071.db2.gz FETQNMLOIOXTOT-UHFFFAOYSA-N 0 1 399.502 3.088 20 0 GGADMN CCc1ccc([C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000736688416 1443226767 /nfs/dbraw/zinc/22/67/67/1443226767.db2.gz VVEUXNLNHMIIPW-GOSISDBHSA-N 0 1 388.479 3.087 20 0 GGADMN Cc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000737271479 1443229290 /nfs/dbraw/zinc/22/92/90/1443229290.db2.gz VSERONBGMVUPJQ-UHFFFAOYSA-N 0 1 384.447 3.196 20 0 GGADMN Fc1ccc(OC2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3F)CC2)c(F)c1 ZINC000826375385 1443257192 /nfs/dbraw/zinc/25/71/92/1443257192.db2.gz LOYVHSSWKWXZFV-UHFFFAOYSA-N 0 1 389.381 3.327 20 0 GGADMN CC[NH+](CC)CCCC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000825413121 1443275242 /nfs/dbraw/zinc/27/52/42/1443275242.db2.gz XSFCPLKAQJLVBG-UHFFFAOYSA-N 0 1 383.544 3.089 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351188 1443275772 /nfs/dbraw/zinc/27/57/72/1443275772.db2.gz LOXQMTJLMHPUKJ-JXFKEZNVSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351188 1443275773 /nfs/dbraw/zinc/27/57/73/1443275773.db2.gz LOXQMTJLMHPUKJ-JXFKEZNVSA-N 0 1 379.464 3.016 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824573427 1443286938 /nfs/dbraw/zinc/28/69/38/1443286938.db2.gz ZGDVYJXQRBLALE-QRWLVFNGSA-N 0 1 380.471 3.494 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000822743693 1443288344 /nfs/dbraw/zinc/28/83/44/1443288344.db2.gz DLZLLDBGJQTTHF-UHFFFAOYSA-N 0 1 380.452 3.462 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000822741393 1443293798 /nfs/dbraw/zinc/29/37/98/1443293798.db2.gz WNKQGBYNVKYEMZ-OAHLLOKOSA-N 0 1 386.862 3.418 20 0 GGADMN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000821611129 1443329041 /nfs/dbraw/zinc/32/90/41/1443329041.db2.gz RMOBDEVFKDYHDW-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000821611129 1443329048 /nfs/dbraw/zinc/32/90/48/1443329048.db2.gz RMOBDEVFKDYHDW-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000821611129 1443329052 /nfs/dbraw/zinc/32/90/52/1443329052.db2.gz RMOBDEVFKDYHDW-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CCCCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000821077400 1443329483 /nfs/dbraw/zinc/32/94/83/1443329483.db2.gz DNBVDFJESMYFSY-UHFFFAOYSA-N 0 1 397.479 3.353 20 0 GGADMN O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000738384375 1443339830 /nfs/dbraw/zinc/33/98/30/1443339830.db2.gz DNQKFKVUNOXOBJ-SFTDATJTSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384375 1443339834 /nfs/dbraw/zinc/33/98/34/1443339834.db2.gz DNQKFKVUNOXOBJ-SFTDATJTSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738384375 1443339838 /nfs/dbraw/zinc/33/98/38/1443339838.db2.gz DNQKFKVUNOXOBJ-SFTDATJTSA-N 0 1 393.491 3.224 20 0 GGADMN COc1ccccc1C[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC000821889802 1443356465 /nfs/dbraw/zinc/35/64/65/1443356465.db2.gz GFPNEGYFECLQCT-SFHVURJKSA-N 0 1 381.480 3.241 20 0 GGADMN CCOc1cccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000825649785 1443360061 /nfs/dbraw/zinc/36/00/61/1443360061.db2.gz XTVANABWJILMRU-LBPRGKRZSA-N 0 1 386.481 3.006 20 0 GGADMN CC(C)[NH+](CCSCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000824293452 1443361820 /nfs/dbraw/zinc/36/18/20/1443361820.db2.gz MGRKTSDOCRWYEY-UHFFFAOYSA-N 0 1 396.948 3.311 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH2+]CCCOc1ccc2ccccc2c1 ZINC000823802591 1443370395 /nfs/dbraw/zinc/37/03/95/1443370395.db2.gz UGAPHTCKVDUALO-UHFFFAOYSA-N 0 1 399.458 3.226 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824546172 1443383312 /nfs/dbraw/zinc/38/33/12/1443383312.db2.gz GSJRHSZHOCSCAR-HIFRSBDPSA-N 0 1 384.434 3.465 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C1CCOCC1 ZINC000824293814 1443388246 /nfs/dbraw/zinc/38/82/46/1443388246.db2.gz YHHSZEDUWQXSTJ-UHFFFAOYSA-N 0 1 380.290 3.019 20 0 GGADMN CC1CCN([C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)c2ccccc2)CC1 ZINC000820723212 1443394790 /nfs/dbraw/zinc/39/47/90/1443394790.db2.gz XLINAKLVXZFJAA-LJQANCHMSA-N 0 1 382.537 3.491 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604825 1443406526 /nfs/dbraw/zinc/40/65/26/1443406526.db2.gz DUNNSFLZDSQIKU-GFCCVEGCSA-N 0 1 395.467 3.418 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000736371196 1443410162 /nfs/dbraw/zinc/41/01/62/1443410162.db2.gz PHAWIPPIGNJALN-GTNSWQLSSA-N 0 1 386.406 3.213 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ccc(-c3nn[n-]n3)o2)C1 ZINC000820649388 1443413370 /nfs/dbraw/zinc/41/33/70/1443413370.db2.gz LHWFGRVORXPKMU-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)o2)C1 ZINC000820649388 1443413371 /nfs/dbraw/zinc/41/33/71/1443413371.db2.gz LHWFGRVORXPKMU-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)o2)C1 ZINC000820649388 1443413373 /nfs/dbraw/zinc/41/33/73/1443413373.db2.gz LHWFGRVORXPKMU-IYBDPMFKSA-N 0 1 380.496 3.227 20 0 GGADMN CC[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(C)cc1 ZINC000821221160 1443415495 /nfs/dbraw/zinc/41/54/95/1443415495.db2.gz JBBOUGZMCHXBFP-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CC[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(C)cc1 ZINC000821221160 1443415497 /nfs/dbraw/zinc/41/54/97/1443415497.db2.gz JBBOUGZMCHXBFP-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000821615947 1443415697 /nfs/dbraw/zinc/41/56/97/1443415697.db2.gz VYMUVCBOQKRBRP-UHFFFAOYSA-N 0 1 394.504 3.443 20 0 GGADMN Cn1cc(C[NH2+]CC2(c3ccccc3)CCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361215 1443421468 /nfs/dbraw/zinc/42/14/68/1443421468.db2.gz PPHOZOFWZVYIRU-UHFFFAOYSA-N 0 1 399.502 3.479 20 0 GGADMN c1ccc([C@@H](CNc2c(-c3nnn[n-]3)cnc3ccccc32)[NH+]2CCCC2)cc1 ZINC000738427590 1443422742 /nfs/dbraw/zinc/42/27/42/1443422742.db2.gz XSWYAQWBBATBAI-HXUWFJFHSA-N 0 1 385.475 3.086 20 0 GGADMN C[C@@H]1OCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[C@H]1C ZINC000825019590 1443430322 /nfs/dbraw/zinc/43/03/22/1443430322.db2.gz FRNXXXIAQVPFDX-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1OCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[C@H]1C ZINC000825019590 1443430324 /nfs/dbraw/zinc/43/03/24/1443430324.db2.gz FRNXXXIAQVPFDX-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136045 1443437853 /nfs/dbraw/zinc/43/78/53/1443437853.db2.gz ZMCKJVLHXYCMIH-NEPJUHHUSA-N 0 1 393.476 3.154 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)CC1 ZINC000824955897 1443438500 /nfs/dbraw/zinc/43/85/00/1443438500.db2.gz PEFGLMZKQGBNQY-KRWDZBQOSA-N 0 1 391.523 3.363 20 0 GGADMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)CCCCCC1 ZINC000819933447 1443444355 /nfs/dbraw/zinc/44/43/55/1443444355.db2.gz RUEXKEDXOBLJGI-UHFFFAOYSA-N 0 1 390.488 3.167 20 0 GGADMN CC[NH+](CC)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736530777 1443452698 /nfs/dbraw/zinc/45/26/98/1443452698.db2.gz MKLOKLZAWGIOCR-UHFFFAOYSA-N 0 1 395.467 3.122 20 0 GGADMN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000825923099 1443469821 /nfs/dbraw/zinc/46/98/21/1443469821.db2.gz BXJJUMBIJGLEOJ-UHFFFAOYSA-N 0 1 377.370 3.185 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000822761173 1443476994 /nfs/dbraw/zinc/47/69/94/1443476994.db2.gz ASKHICIOCKWMBZ-UHFFFAOYSA-N 0 1 397.845 3.194 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826332336 1443487980 /nfs/dbraw/zinc/48/79/80/1443487980.db2.gz QQPVWNZOGCSKEZ-IBGZPJMESA-N 0 1 385.475 3.178 20 0 GGADMN Cc1[nH+]cn(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1C ZINC000737498592 1443488647 /nfs/dbraw/zinc/48/86/47/1443488647.db2.gz HOAXCDCNUOWNAV-UHFFFAOYSA-N 0 1 385.497 3.039 20 0 GGADMN OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826509604 1443489163 /nfs/dbraw/zinc/48/91/63/1443489163.db2.gz ADLWKEBXXCFIQM-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826509604 1443489164 /nfs/dbraw/zinc/48/91/64/1443489164.db2.gz ADLWKEBXXCFIQM-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OC1(C[N@@H+](Cc2ccccc2)Cc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC000823696463 1443495182 /nfs/dbraw/zinc/49/51/82/1443495182.db2.gz DZZWFQYTRFEMBT-UHFFFAOYSA-N 0 1 381.455 3.313 20 0 GGADMN O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738387999 1443500179 /nfs/dbraw/zinc/50/01/79/1443500179.db2.gz RBPHNMKKJNQFGZ-IBGZPJMESA-N 0 1 383.883 3.466 20 0 GGADMN CC(C)C[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000735835795 1443503232 /nfs/dbraw/zinc/50/32/32/1443503232.db2.gz OBTPLHNFHVMWND-UHFFFAOYSA-N 0 1 385.903 3.023 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000820648503 1443507696 /nfs/dbraw/zinc/50/76/96/1443507696.db2.gz ATDKOENFFIBHCD-IYBDPMFKSA-N 0 1 379.512 3.007 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000820648503 1443507697 /nfs/dbraw/zinc/50/76/97/1443507697.db2.gz ATDKOENFFIBHCD-IYBDPMFKSA-N 0 1 379.512 3.007 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000820648503 1443507698 /nfs/dbraw/zinc/50/76/98/1443507698.db2.gz ATDKOENFFIBHCD-IYBDPMFKSA-N 0 1 379.512 3.007 20 0 GGADMN O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737837508 1443511403 /nfs/dbraw/zinc/51/14/03/1443511403.db2.gz HSAZUJNBAKJBDG-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@@H+](CCc1cccc(F)c1)C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737837508 1443511408 /nfs/dbraw/zinc/51/14/08/1443511408.db2.gz HSAZUJNBAKJBDG-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@H+](CCc1cccc(F)c1)C1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737837508 1443511413 /nfs/dbraw/zinc/51/14/13/1443511413.db2.gz HSAZUJNBAKJBDG-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763238 1443513294 /nfs/dbraw/zinc/51/32/94/1443513294.db2.gz LWXCOQUCDFDDQM-DOMZBBRYSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763238 1443513298 /nfs/dbraw/zinc/51/32/98/1443513298.db2.gz LWXCOQUCDFDDQM-DOMZBBRYSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763238 1443513302 /nfs/dbraw/zinc/51/33/02/1443513302.db2.gz LWXCOQUCDFDDQM-DOMZBBRYSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411781 1443519798 /nfs/dbraw/zinc/51/97/98/1443519798.db2.gz JMMLVICOUGDDMI-GJZGRUSLSA-N 0 1 376.464 3.405 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC(c4cnn(C)c4)CC3)c2c1 ZINC000822194954 1443547513 /nfs/dbraw/zinc/54/75/13/1443547513.db2.gz BMJPJBIJUPGLFZ-UHFFFAOYSA-N 0 1 388.479 3.149 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F)c1ccco1 ZINC000826501776 1443550109 /nfs/dbraw/zinc/55/01/09/1443550109.db2.gz GWHPLNJRZMEXOK-NVXWUHKLSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501776 1443550112 /nfs/dbraw/zinc/55/01/12/1443550112.db2.gz GWHPLNJRZMEXOK-NVXWUHKLSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501776 1443550117 /nfs/dbraw/zinc/55/01/17/1443550117.db2.gz GWHPLNJRZMEXOK-NVXWUHKLSA-N 0 1 385.443 3.467 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@H+]3CCCC4(CCCCC4)C3)o2)c1 ZINC000823738187 1443550507 /nfs/dbraw/zinc/55/05/07/1443550507.db2.gz PODXYGIXXKXRNA-UHFFFAOYSA-N 0 1 379.468 3.463 20 0 GGADMN CCOc1ccc(C[NH+]2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000736644254 1443554033 /nfs/dbraw/zinc/55/40/33/1443554033.db2.gz VWSBFAKZCYMYTL-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN C[C@H](c1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1)[NH+]1CCOCC1 ZINC000824662663 1443557298 /nfs/dbraw/zinc/55/72/98/1443557298.db2.gz PALBDODFYPMYON-JKSUJKDBSA-N 0 1 378.480 3.433 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000736482185 1443558415 /nfs/dbraw/zinc/55/84/15/1443558415.db2.gz WWOTWRAWUVHHPZ-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000736482185 1443558417 /nfs/dbraw/zinc/55/84/17/1443558417.db2.gz WWOTWRAWUVHHPZ-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN CCCCOc1ccc(CC[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821077976 1443582174 /nfs/dbraw/zinc/58/21/74/1443582174.db2.gz ZCXVUMILSTWLFA-UHFFFAOYSA-N 0 1 381.480 3.387 20 0 GGADMN CCOc1ccccc1[C@H](CC)[NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825653650 1443588698 /nfs/dbraw/zinc/58/86/98/1443588698.db2.gz HFILTGWTGNETLX-SFHVURJKSA-N 0 1 394.479 3.335 20 0 GGADMN CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000820723132 1443589310 /nfs/dbraw/zinc/58/93/10/1443589310.db2.gz WOMRGMJSNGFBDY-UHFFFAOYSA-N 0 1 392.463 3.329 20 0 GGADMN CN(C)[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Cc1ccccc1 ZINC000825851640 1443603506 /nfs/dbraw/zinc/60/35/06/1443603506.db2.gz WWHVCVSMJHWKMD-PZJWPPBQSA-N 0 1 376.508 3.007 20 0 GGADMN CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)c2C1 ZINC000824267158 1443603703 /nfs/dbraw/zinc/60/37/03/1443603703.db2.gz ZYRDVFWAGXPTKQ-UHFFFAOYSA-N 0 1 397.870 3.139 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)c2C1 ZINC000824267158 1443603707 /nfs/dbraw/zinc/60/37/07/1443603707.db2.gz ZYRDVFWAGXPTKQ-UHFFFAOYSA-N 0 1 397.870 3.139 20 0 GGADMN O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506486 1443608773 /nfs/dbraw/zinc/60/87/73/1443608773.db2.gz VQLUAWLJZKDMDV-JSGCOSHPSA-N 0 1 395.410 3.255 20 0 GGADMN c1ccc2nc(C[NH2+]C3CCN(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC000823802225 1443613188 /nfs/dbraw/zinc/61/31/88/1443613188.db2.gz JXGXQJOLRBOXHW-UHFFFAOYSA-N 0 1 385.475 3.174 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820722907 1443616526 /nfs/dbraw/zinc/61/65/26/1443616526.db2.gz RFFHWBXQHWMNGC-WMLDXEAASA-N 0 1 380.452 3.262 20 0 GGADMN O[C@@H](C[N@@H+](Cc1cccc(F)c1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673350 1443619598 /nfs/dbraw/zinc/61/95/98/1443619598.db2.gz LEPYCSFBXZIJMI-FQEVSTJZSA-N 0 1 381.455 3.484 20 0 GGADMN O[C@@H](C[N@H+](Cc1cccc(F)c1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673350 1443619600 /nfs/dbraw/zinc/61/96/00/1443619600.db2.gz LEPYCSFBXZIJMI-FQEVSTJZSA-N 0 1 381.455 3.484 20 0 GGADMN O[C@@H](C[N@@H+](Cc1cccc(F)c1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673350 1443619601 /nfs/dbraw/zinc/61/96/01/1443619601.db2.gz LEPYCSFBXZIJMI-FQEVSTJZSA-N 0 1 381.455 3.484 20 0 GGADMN c1csc([C@H]([NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)c1 ZINC000826525971 1443625254 /nfs/dbraw/zinc/62/52/54/1443625254.db2.gz GNAXNDWEPFTQES-MRXNPFEDSA-N 0 1 379.449 3.219 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194546 1443627533 /nfs/dbraw/zinc/62/75/33/1443627533.db2.gz AJNJBXCQNSMZRD-GJZGRUSLSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194546 1443627534 /nfs/dbraw/zinc/62/75/34/1443627534.db2.gz AJNJBXCQNSMZRD-GJZGRUSLSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194546 1443627536 /nfs/dbraw/zinc/62/75/36/1443627536.db2.gz AJNJBXCQNSMZRD-GJZGRUSLSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@](CO)([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000736038292 1443632620 /nfs/dbraw/zinc/63/26/20/1443632620.db2.gz UBODVLVPFUPYCF-QGZVFWFLSA-N 0 1 395.360 3.022 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000822774494 1443638665 /nfs/dbraw/zinc/63/86/65/1443638665.db2.gz KLGPFRUMQDUTOF-ZDUSSCGKSA-N 0 1 399.449 3.148 20 0 GGADMN CC(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820068098 1443647748 /nfs/dbraw/zinc/64/77/48/1443647748.db2.gz NXLCUTYVPYBXSV-QWHCGFSZSA-N 0 1 388.541 3.112 20 0 GGADMN CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2C1 ZINC000735811614 1443650043 /nfs/dbraw/zinc/65/00/43/1443650043.db2.gz NQXLEFPIJKBZEI-UHFFFAOYSA-N 0 1 390.491 3.410 20 0 GGADMN O[C@@H](COc1ccc(-c2nnn[n-]2)cc1)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000823699239 1443653363 /nfs/dbraw/zinc/65/33/63/1443653363.db2.gz UGJVCAAMDMXDNH-GOSISDBHSA-N 0 1 385.512 3.043 20 0 GGADMN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000823699239 1443653370 /nfs/dbraw/zinc/65/33/70/1443653370.db2.gz UGJVCAAMDMXDNH-GOSISDBHSA-N 0 1 385.512 3.043 20 0 GGADMN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000823699239 1443653376 /nfs/dbraw/zinc/65/33/76/1443653376.db2.gz UGJVCAAMDMXDNH-GOSISDBHSA-N 0 1 385.512 3.043 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820758732 1443653825 /nfs/dbraw/zinc/65/38/25/1443653825.db2.gz CIPDXDKOQCCLHU-AAEUAGOBSA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758732 1443653828 /nfs/dbraw/zinc/65/38/28/1443653828.db2.gz CIPDXDKOQCCLHU-AAEUAGOBSA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758732 1443653832 /nfs/dbraw/zinc/65/38/32/1443653832.db2.gz CIPDXDKOQCCLHU-AAEUAGOBSA-N 0 1 389.916 3.299 20 0 GGADMN Fc1cccc([C@H]2CC[N@H+](Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)C2)c1 ZINC000737666311 1443665146 /nfs/dbraw/zinc/66/51/46/1443665146.db2.gz KDOJASGIXGNFAG-SFHVURJKSA-N 0 1 389.438 3.316 20 0 GGADMN Fc1cccc([C@H]2CC[N@@H+](Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)C2)c1 ZINC000737666311 1443665149 /nfs/dbraw/zinc/66/51/49/1443665149.db2.gz KDOJASGIXGNFAG-SFHVURJKSA-N 0 1 389.438 3.316 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737547381 1443665256 /nfs/dbraw/zinc/66/52/56/1443665256.db2.gz KBNHCKCWGSAQEB-GXTWGEPZSA-N 0 1 382.468 3.139 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000824572983 1443668352 /nfs/dbraw/zinc/66/83/52/1443668352.db2.gz YNABQSCTGGSSBO-QVKFZJNVSA-N 0 1 386.459 3.313 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826169417 1443686232 /nfs/dbraw/zinc/68/62/32/1443686232.db2.gz RSVSDMFJNCWPOB-OALUTQOASA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826169417 1443686235 /nfs/dbraw/zinc/68/62/35/1443686235.db2.gz RSVSDMFJNCWPOB-OALUTQOASA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826169417 1443686238 /nfs/dbraw/zinc/68/62/38/1443686238.db2.gz RSVSDMFJNCWPOB-OALUTQOASA-N 0 1 397.454 3.103 20 0 GGADMN COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826098432 1443687684 /nfs/dbraw/zinc/68/76/84/1443687684.db2.gz DXTXKVHPKPDRKY-QGZVFWFLSA-N 0 1 383.427 3.036 20 0 GGADMN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139092692 1443702263 /nfs/dbraw/zinc/70/22/63/1443702263.db2.gz FMQLGNHGWZOEDY-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139092692 1443702266 /nfs/dbraw/zinc/70/22/66/1443702266.db2.gz FMQLGNHGWZOEDY-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139092692 1443702269 /nfs/dbraw/zinc/70/22/69/1443702269.db2.gz FMQLGNHGWZOEDY-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000736323706 1443704203 /nfs/dbraw/zinc/70/42/03/1443704203.db2.gz YBUSELCMAZVVDG-ZDUSSCGKSA-N 0 1 387.532 3.317 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139097172 1443707749 /nfs/dbraw/zinc/70/77/49/1443707749.db2.gz VJLZAYXANJCHFY-KRWDZBQOSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139097172 1443707751 /nfs/dbraw/zinc/70/77/51/1443707751.db2.gz VJLZAYXANJCHFY-KRWDZBQOSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139097172 1443707753 /nfs/dbraw/zinc/70/77/53/1443707753.db2.gz VJLZAYXANJCHFY-KRWDZBQOSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[NH+](C)C ZINC000735772427 1443707805 /nfs/dbraw/zinc/70/78/05/1443707805.db2.gz SUINGRQQGDWCPE-GFCCVEGCSA-N 0 1 375.427 3.081 20 0 GGADMN COc1cc(CSCC[NH+](C)C)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826180121 1443707943 /nfs/dbraw/zinc/70/79/43/1443707943.db2.gz SQEWNRQFHBGURQ-UHFFFAOYSA-N 0 1 399.520 3.249 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCO[C@H](c4nccs4)C3)c2c1 ZINC000822195125 1443708810 /nfs/dbraw/zinc/70/88/10/1443708810.db2.gz ICMCSBAPRDCRIY-HNNXBMFYSA-N 0 1 393.476 3.066 20 0 GGADMN c1c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738427619 1443723307 /nfs/dbraw/zinc/72/33/07/1443723307.db2.gz JQRKMYDCWFYLLW-GOSISDBHSA-N 0 1 376.489 3.410 20 0 GGADMN c1c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738427619 1443723309 /nfs/dbraw/zinc/72/33/09/1443723309.db2.gz JQRKMYDCWFYLLW-GOSISDBHSA-N 0 1 376.489 3.410 20 0 GGADMN c1c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738427619 1443723311 /nfs/dbraw/zinc/72/33/11/1443723311.db2.gz JQRKMYDCWFYLLW-GOSISDBHSA-N 0 1 376.489 3.410 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736229003 1443734365 /nfs/dbraw/zinc/73/43/65/1443734365.db2.gz PMKOOFDXLJPMCH-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736229003 1443734367 /nfs/dbraw/zinc/73/43/67/1443734367.db2.gz PMKOOFDXLJPMCH-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736229003 1443734371 /nfs/dbraw/zinc/73/43/71/1443734371.db2.gz PMKOOFDXLJPMCH-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN c1sc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1-c1nn[n-]n1 ZINC000823766844 1443740115 /nfs/dbraw/zinc/74/01/15/1443740115.db2.gz KOBJEQBLUOHEEP-MRXNPFEDSA-N 0 1 389.488 3.032 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000824562368 1443747558 /nfs/dbraw/zinc/74/75/58/1443747558.db2.gz GHNZPBKFFAVLRK-SECBINFHSA-N 0 1 392.797 3.088 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000826332381 1443754107 /nfs/dbraw/zinc/75/41/07/1443754107.db2.gz SEMFZCCNALDXRD-UHFFFAOYSA-N 0 1 389.385 3.055 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000826332381 1443754109 /nfs/dbraw/zinc/75/41/09/1443754109.db2.gz SEMFZCCNALDXRD-UHFFFAOYSA-N 0 1 389.385 3.055 20 0 GGADMN Clc1ccc(O[C@@H]2CC[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826352570 1443761176 /nfs/dbraw/zinc/76/11/76/1443761176.db2.gz GEGWFXLFKUXCIS-CYBMUJFWSA-N 0 1 391.262 3.222 20 0 GGADMN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820235635 1443765136 /nfs/dbraw/zinc/76/51/36/1443765136.db2.gz TYZIQZQVMHBREY-SJLPKXTDSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000824626194 1443774052 /nfs/dbraw/zinc/77/40/52/1443774052.db2.gz NLWZOOSFTBDMQB-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN CC(C)[NH2+][C@H]1CCCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000735888308 1443779632 /nfs/dbraw/zinc/77/96/32/1443779632.db2.gz KGUHJYOMNZJQRM-IBGZPJMESA-N 0 1 376.508 3.496 20 0 GGADMN S=C(NCCC[NH+]1CCCCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400567 1443792917 /nfs/dbraw/zinc/79/29/17/1443792917.db2.gz GPVQCYIQIMWRBN-UHFFFAOYSA-N 0 1 393.948 3.073 20 0 GGADMN COc1cc2[nH]c(CCC[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)cc2c(OC)c1 ZINC000821724720 1443797970 /nfs/dbraw/zinc/79/79/70/1443797970.db2.gz WVWJWFHNRCKPDN-UHFFFAOYSA-N 0 1 392.463 3.088 20 0 GGADMN CC(C)[NH+]1CCN(c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000824300369 1443803989 /nfs/dbraw/zinc/80/39/89/1443803989.db2.gz FQPYFVWQZXOJHV-UHFFFAOYSA-N 0 1 377.496 3.009 20 0 GGADMN Cc1ccc(NC(=O)C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCCC2)cc1C ZINC000822242683 1443804899 /nfs/dbraw/zinc/80/48/99/1443804899.db2.gz UKDYELYAQULDDL-UHFFFAOYSA-N 0 1 394.479 3.365 20 0 GGADMN COc1ccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000821818007 1443818744 /nfs/dbraw/zinc/81/87/44/1443818744.db2.gz HHFMCTWCLDQENA-UHFFFAOYSA-N 0 1 381.480 3.480 20 0 GGADMN COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826220513 1443825136 /nfs/dbraw/zinc/82/51/36/1443825136.db2.gz QAGUDDAATSYFHQ-KBPBESRZSA-N 0 1 385.443 3.380 20 0 GGADMN O[C@@H](C[N@@H+]1CC=C(c2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826502882 1443832808 /nfs/dbraw/zinc/83/28/08/1443832808.db2.gz LZXXQVSFMOEGOM-IBGZPJMESA-N 0 1 381.867 3.343 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000826519722 1443834180 /nfs/dbraw/zinc/83/41/80/1443834180.db2.gz LDMHKCVBVVHQPN-PMPSAXMXSA-N 0 1 393.607 3.069 20 0 GGADMN c1ccc2c(c1)CC[C@H](C[N@H+]1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)C2 ZINC000826513796 1443843940 /nfs/dbraw/zinc/84/39/40/1443843940.db2.gz WHSLRUKTDTYZEF-KKSFZXQISA-N 0 1 375.476 3.045 20 0 GGADMN c1ccc2c(c1)CC[C@H](C[N@@H+]1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513796 1443843943 /nfs/dbraw/zinc/84/39/43/1443843943.db2.gz WHSLRUKTDTYZEF-KKSFZXQISA-N 0 1 375.476 3.045 20 0 GGADMN c1ccc2c(c1)CC[C@H](C[N@H+]1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513796 1443843947 /nfs/dbraw/zinc/84/39/47/1443843947.db2.gz WHSLRUKTDTYZEF-KKSFZXQISA-N 0 1 375.476 3.045 20 0 GGADMN COc1ccc(C[NH2+]Cc2csc(-c3ccsc3)n2)cc1-c1nnn[n-]1 ZINC000826202455 1443846720 /nfs/dbraw/zinc/84/67/20/1443846720.db2.gz AGDLLMVCKPNEBI-UHFFFAOYSA-N 0 1 384.490 3.350 20 0 GGADMN COc1ccc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c(OC)c1 ZINC000737091791 1443849281 /nfs/dbraw/zinc/84/92/81/1443849281.db2.gz YTECUTUBIHKTNC-UHFFFAOYSA-N 0 1 376.420 3.069 20 0 GGADMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1F ZINC000824192954 1443855241 /nfs/dbraw/zinc/85/52/41/1443855241.db2.gz PHSSAXTXNOMFMJ-IBGZPJMESA-N 0 1 392.479 3.035 20 0 GGADMN c1ccc2c(c1)SCC[C@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823802158 1443860483 /nfs/dbraw/zinc/86/04/83/1443860483.db2.gz HXIVCCLPVKONGS-QGZVFWFLSA-N 0 1 393.520 3.057 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000825958304 1443862040 /nfs/dbraw/zinc/86/20/40/1443862040.db2.gz QSRZRMSMWJOSTG-QGZVFWFLSA-N 0 1 382.855 3.145 20 0 GGADMN CCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000736683535 1443863257 /nfs/dbraw/zinc/86/32/57/1443863257.db2.gz DUEYDUZZXPVAES-KRWDZBQOSA-N 0 1 380.452 3.188 20 0 GGADMN C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821614728 1443867310 /nfs/dbraw/zinc/86/73/10/1443867310.db2.gz SGQQVXCCSJHSRO-MRXNPFEDSA-N 0 1 377.370 3.051 20 0 GGADMN CC[C@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H](C)O1 ZINC000736405640 1443868198 /nfs/dbraw/zinc/86/81/98/1443868198.db2.gz HDJSUJQIPJNACD-QWRGUYRKSA-N 0 1 390.394 3.020 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820722275 1443869874 /nfs/dbraw/zinc/86/98/74/1443869874.db2.gz GWXVXGCEWZFDAD-JSGCOSHPSA-N 0 1 386.481 3.323 20 0 GGADMN Fc1cccc(Cl)c1[C@H](CNc1cccc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC000737661285 1443877756 /nfs/dbraw/zinc/87/77/56/1443877756.db2.gz OFEQBZOEXXKZQD-HNNXBMFYSA-N 0 1 387.850 3.303 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000737526260 1443877908 /nfs/dbraw/zinc/87/79/08/1443877908.db2.gz ZIXTZPNVRDVXPK-KYNGSXCRSA-N 0 1 392.511 3.292 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820642331 1443882071 /nfs/dbraw/zinc/88/20/71/1443882071.db2.gz IAEIEMSEWJYABM-XJKSGUPXSA-N 0 1 396.882 3.337 20 0 GGADMN C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000736025302 1443891571 /nfs/dbraw/zinc/89/15/71/1443891571.db2.gz FXZLWMAXWSNAQR-LBPRGKRZSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000736025302 1443891576 /nfs/dbraw/zinc/89/15/76/1443891576.db2.gz FXZLWMAXWSNAQR-LBPRGKRZSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000736025302 1443891584 /nfs/dbraw/zinc/89/15/84/1443891584.db2.gz FXZLWMAXWSNAQR-LBPRGKRZSA-N 0 1 391.401 3.213 20 0 GGADMN CC(C)COc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000824272392 1443892267 /nfs/dbraw/zinc/89/22/67/1443892267.db2.gz WXCOOKFOMRJNTA-NRFANRHFSA-N 0 1 393.491 3.475 20 0 GGADMN CC(C)COc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000824272392 1443892270 /nfs/dbraw/zinc/89/22/70/1443892270.db2.gz WXCOOKFOMRJNTA-NRFANRHFSA-N 0 1 393.491 3.475 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683112 1443901736 /nfs/dbraw/zinc/90/17/36/1443901736.db2.gz YUJJINUFEXGEOX-OALUTQOASA-N 0 1 385.418 3.406 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824304582 1443908454 /nfs/dbraw/zinc/90/84/54/1443908454.db2.gz BRYLPXZGALUSEF-CQSZACIVSA-N 0 1 379.468 3.247 20 0 GGADMN CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429154 1443914445 /nfs/dbraw/zinc/91/44/45/1443914445.db2.gz XMAKDEODQYTTCD-ZDUSSCGKSA-N 0 1 391.431 3.262 20 0 GGADMN CC[N@H+](Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825429154 1443914446 /nfs/dbraw/zinc/91/44/46/1443914446.db2.gz XMAKDEODQYTTCD-ZDUSSCGKSA-N 0 1 391.431 3.262 20 0 GGADMN CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825429154 1443914447 /nfs/dbraw/zinc/91/44/47/1443914447.db2.gz XMAKDEODQYTTCD-ZDUSSCGKSA-N 0 1 391.431 3.262 20 0 GGADMN COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826211205 1443915626 /nfs/dbraw/zinc/91/56/26/1443915626.db2.gz UBCJUGYLECLJNV-JTQLQIEISA-N 0 1 393.369 3.467 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885920 1443924846 /nfs/dbraw/zinc/92/48/46/1443924846.db2.gz VDIWHQLYMADOIU-QLFBSQMISA-N 0 1 386.500 3.163 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885920 1443924848 /nfs/dbraw/zinc/92/48/48/1443924848.db2.gz VDIWHQLYMADOIU-QLFBSQMISA-N 0 1 386.500 3.163 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885920 1443924850 /nfs/dbraw/zinc/92/48/50/1443924850.db2.gz VDIWHQLYMADOIU-QLFBSQMISA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](NC(=O)CCCC[NH+](C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824480247 1443927264 /nfs/dbraw/zinc/92/72/64/1443927264.db2.gz UWHFTBZADSDAKR-INIZCTEOSA-N 0 1 392.507 3.443 20 0 GGADMN CC[C@H]1c2ccsc2CC[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736410734 1443931150 /nfs/dbraw/zinc/93/11/50/1443931150.db2.gz LHWYMELVWCNNKV-HNNXBMFYSA-N 0 1 385.493 3.325 20 0 GGADMN c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000826522047 1443931535 /nfs/dbraw/zinc/93/15/35/1443931535.db2.gz JWYCEPVVGBHTNT-NRFANRHFSA-N 0 1 385.475 3.279 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821805857 1443931744 /nfs/dbraw/zinc/93/17/44/1443931744.db2.gz WYQRVMSTUZEOCX-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN FC(F)(F)CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)CC1CC1 ZINC000822714330 1443943272 /nfs/dbraw/zinc/94/32/72/1443943272.db2.gz LHLJIHLWQHJQGK-UHFFFAOYSA-N 0 1 393.373 3.081 20 0 GGADMN c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000826520391 1443944008 /nfs/dbraw/zinc/94/40/08/1443944008.db2.gz IFMKGZXPYDQZDG-VQIMIIECSA-N 0 1 379.464 3.003 20 0 GGADMN c1ccc2sc(C3CC[NH+](Cc4ccnc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826524514 1443960001 /nfs/dbraw/zinc/96/00/01/1443960001.db2.gz XYHNDATZCSFTRR-UHFFFAOYSA-N 0 1 377.477 3.251 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820758606 1443974339 /nfs/dbraw/zinc/97/43/39/1443974339.db2.gz AFCONMFNBKKFIZ-HOTGVXAUSA-N 0 1 379.464 3.055 20 0 GGADMN CN(C)C(=O)C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841242 1443984354 /nfs/dbraw/zinc/98/43/54/1443984354.db2.gz ULRHHCBKRZOFDN-UXHICEINSA-N 0 1 390.491 3.053 20 0 GGADMN CO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000826147056 1443987095 /nfs/dbraw/zinc/98/70/95/1443987095.db2.gz MNWGCDSXETWFHC-LJQANCHMSA-N 0 1 393.491 3.447 20 0 GGADMN CO[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826147056 1443987099 /nfs/dbraw/zinc/98/70/99/1443987099.db2.gz MNWGCDSXETWFHC-LJQANCHMSA-N 0 1 393.491 3.447 20 0 GGADMN CO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826147056 1443987101 /nfs/dbraw/zinc/98/71/01/1443987101.db2.gz MNWGCDSXETWFHC-LJQANCHMSA-N 0 1 393.491 3.447 20 0 GGADMN CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736535671 1443997235 /nfs/dbraw/zinc/99/72/35/1443997235.db2.gz ZOYCGNXJEDNEBC-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN C[N@H+]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028934 1444000179 /nfs/dbraw/zinc/00/01/79/1444000179.db2.gz KVTUNFDZJSUPDI-BBRMVZONSA-N 0 1 390.278 3.426 20 0 GGADMN O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826506232 1444010358 /nfs/dbraw/zinc/01/03/58/1444010358.db2.gz PFXYVQGSJJPMTA-SJORKVTESA-N 0 1 389.381 3.193 20 0 GGADMN Clc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826354042 1444017301 /nfs/dbraw/zinc/01/73/01/1444017301.db2.gz NVIXIXIQVUTXGI-OAHLLOKOSA-N 0 1 384.871 3.206 20 0 GGADMN Clc1ccccc1OC[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826354042 1444017306 /nfs/dbraw/zinc/01/73/06/1444017306.db2.gz NVIXIXIQVUTXGI-OAHLLOKOSA-N 0 1 384.871 3.206 20 0 GGADMN Clc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826354042 1444017311 /nfs/dbraw/zinc/01/73/11/1444017311.db2.gz NVIXIXIQVUTXGI-OAHLLOKOSA-N 0 1 384.871 3.206 20 0 GGADMN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1 ZINC000736231303 1444017546 /nfs/dbraw/zinc/01/75/46/1444017546.db2.gz WZZXEOZARZBTQU-UTKZUKDTSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820643549 1444018904 /nfs/dbraw/zinc/01/89/04/1444018904.db2.gz XAPCDNGQZNHHJN-RDJZCZTQSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820643549 1444018905 /nfs/dbraw/zinc/01/89/05/1444018905.db2.gz XAPCDNGQZNHHJN-RDJZCZTQSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820643549 1444018906 /nfs/dbraw/zinc/01/89/06/1444018906.db2.gz XAPCDNGQZNHHJN-RDJZCZTQSA-N 0 1 376.464 3.073 20 0 GGADMN CC(C)(C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1 ZINC000735670695 1444032544 /nfs/dbraw/zinc/03/25/44/1444032544.db2.gz VAISASZZKHIOJZ-UHFFFAOYSA-N 0 1 381.871 3.235 20 0 GGADMN CCC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736479933 1444035198 /nfs/dbraw/zinc/03/51/98/1444035198.db2.gz MVUWCCURICMOBX-UHFFFAOYSA-N 0 1 389.463 3.371 20 0 GGADMN CCC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736479933 1444035200 /nfs/dbraw/zinc/03/52/00/1444035200.db2.gz MVUWCCURICMOBX-UHFFFAOYSA-N 0 1 389.463 3.371 20 0 GGADMN CCC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736479933 1444035201 /nfs/dbraw/zinc/03/52/01/1444035201.db2.gz MVUWCCURICMOBX-UHFFFAOYSA-N 0 1 389.463 3.371 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597179 1446100181 /nfs/dbraw/zinc/10/01/81/1446100181.db2.gz NDEAXEWBGOAGKX-FUHWJXTLSA-N 0 1 382.512 3.120 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000820658106 1446115971 /nfs/dbraw/zinc/11/59/71/1446115971.db2.gz PKUPZFREHBPOCU-BEFAXECRSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000820658106 1446115975 /nfs/dbraw/zinc/11/59/75/1446115975.db2.gz PKUPZFREHBPOCU-BEFAXECRSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000820658106 1446115977 /nfs/dbraw/zinc/11/59/77/1446115977.db2.gz PKUPZFREHBPOCU-BEFAXECRSA-N 0 1 391.479 3.041 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826169419 1446124714 /nfs/dbraw/zinc/12/47/14/1446124714.db2.gz RSVSDMFJNCWPOB-RTBURBONSA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826169419 1446124717 /nfs/dbraw/zinc/12/47/17/1446124717.db2.gz RSVSDMFJNCWPOB-RTBURBONSA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826169419 1446124721 /nfs/dbraw/zinc/12/47/21/1446124721.db2.gz RSVSDMFJNCWPOB-RTBURBONSA-N 0 1 397.454 3.103 20 0 GGADMN CCOc1cc(CN(C)c2[nH+]c(C)ccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000825615715 1446134274 /nfs/dbraw/zinc/13/42/74/1446134274.db2.gz IDPFGIXOSPSODN-UHFFFAOYSA-N 0 1 390.394 3.207 20 0 GGADMN COc1ccc([C@@H](CNc2nccc(C)c2-c2nn[n-]n2)[NH+]2CCCCC2)cc1 ZINC000826189568 1446147752 /nfs/dbraw/zinc/14/77/52/1446147752.db2.gz YOLQFXVNHXYALM-GOSISDBHSA-N 0 1 393.495 3.218 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCCC1 ZINC000825980700 1446157324 /nfs/dbraw/zinc/15/73/24/1446157324.db2.gz HFOXYLHQLUHVDX-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[N@H+](Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCCC1 ZINC000825980700 1446157327 /nfs/dbraw/zinc/15/73/27/1446157327.db2.gz HFOXYLHQLUHVDX-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCCC1 ZINC000825980700 1446157328 /nfs/dbraw/zinc/15/73/28/1446157328.db2.gz HFOXYLHQLUHVDX-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000822718503 1446170551 /nfs/dbraw/zinc/17/05/51/1446170551.db2.gz KNKMKSDCELBASK-CJNGLKHVSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822718503 1446170553 /nfs/dbraw/zinc/17/05/53/1446170553.db2.gz KNKMKSDCELBASK-CJNGLKHVSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000822718503 1446170555 /nfs/dbraw/zinc/17/05/55/1446170555.db2.gz KNKMKSDCELBASK-CJNGLKHVSA-N 0 1 392.429 3.339 20 0 GGADMN COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)N2CCCCC2)cc1 ZINC000737076918 1446171510 /nfs/dbraw/zinc/17/15/10/1446171510.db2.gz UCCSRAHDOWYJTR-OAQYLSRUSA-N 0 1 392.507 3.192 20 0 GGADMN C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585977 1446182321 /nfs/dbraw/zinc/18/23/21/1446182321.db2.gz VLYKBTUUFXPFAQ-INIZCTEOSA-N 0 1 379.464 3.431 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000821614806 1446200879 /nfs/dbraw/zinc/20/08/79/1446200879.db2.gz VPIYZMGHWDPJKV-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000821614806 1446200883 /nfs/dbraw/zinc/20/08/83/1446200883.db2.gz VPIYZMGHWDPJKV-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000821614806 1446200885 /nfs/dbraw/zinc/20/08/85/1446200885.db2.gz VPIYZMGHWDPJKV-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000826183707 1446201100 /nfs/dbraw/zinc/20/11/00/1446201100.db2.gz YEKRZLKVIZECDM-GOSISDBHSA-N 0 1 389.463 3.099 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000826183707 1446201102 /nfs/dbraw/zinc/20/11/02/1446201102.db2.gz YEKRZLKVIZECDM-GOSISDBHSA-N 0 1 389.463 3.099 20 0 GGADMN Cn1cc([C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C(C)(C)C)cn1 ZINC000826359737 1446208608 /nfs/dbraw/zinc/20/86/08/1446208608.db2.gz PERMNZXNDGLGSP-HNNXBMFYSA-N 0 1 391.426 3.079 20 0 GGADMN Clc1nsc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1-c1nnn[n-]1 ZINC000737583013 1446222530 /nfs/dbraw/zinc/22/25/30/1446222530.db2.gz IBJDBAOUWBRIRA-UHFFFAOYSA-N 0 1 390.904 3.364 20 0 GGADMN CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000824199374 1446227945 /nfs/dbraw/zinc/22/79/45/1446227945.db2.gz IUQHAEOUBFUZLK-SFHVURJKSA-N 0 1 384.871 3.446 20 0 GGADMN CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821181024 1446233141 /nfs/dbraw/zinc/23/31/41/1446233141.db2.gz IRNCPLNPIGBXER-MRXNPFEDSA-N 0 1 390.491 3.090 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1C ZINC000737547363 1446248433 /nfs/dbraw/zinc/24/84/33/1446248433.db2.gz KBLJMSIZMRPIID-GXTWGEPZSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1C ZINC000737547363 1446248436 /nfs/dbraw/zinc/24/84/36/1446248436.db2.gz KBLJMSIZMRPIID-GXTWGEPZSA-N 0 1 398.442 3.032 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820294167 1446254340 /nfs/dbraw/zinc/25/43/40/1446254340.db2.gz RYYWGIJQKGOVOS-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)[C@@H]1c1cccc(F)c1 ZINC000824962653 1446265236 /nfs/dbraw/zinc/26/52/36/1446265236.db2.gz WMLSFRQUCFDXBM-YJYMSZOUSA-N 0 1 377.427 3.237 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1-c1nn[n-]n1 ZINC000826202566 1446276967 /nfs/dbraw/zinc/27/69/67/1446276967.db2.gz DSMBAEIOOCNWGJ-BEFAXECRSA-N 0 1 384.528 3.008 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1-c1nnn[n-]1 ZINC000826202566 1446276971 /nfs/dbraw/zinc/27/69/71/1446276971.db2.gz DSMBAEIOOCNWGJ-BEFAXECRSA-N 0 1 384.528 3.008 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000822772091 1446279796 /nfs/dbraw/zinc/27/97/96/1446279796.db2.gz QSKFNBSTWGAFRQ-KRWDZBQOSA-N 0 1 381.411 3.114 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000826404635 1446289319 /nfs/dbraw/zinc/28/93/19/1446289319.db2.gz HMMGZJQSCTUDMI-QGZVFWFLSA-N 0 1 383.402 3.382 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824579159 1446293482 /nfs/dbraw/zinc/29/34/82/1446293482.db2.gz YDIQOTVJWHBDER-KGLIPLIRSA-N 0 1 384.434 3.322 20 0 GGADMN Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000826352808 1446296003 /nfs/dbraw/zinc/29/60/03/1446296003.db2.gz OYRSYWOXWNSNEY-NSHDSACASA-N 0 1 380.843 3.175 20 0 GGADMN FC(F)(F)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]n1 ZINC000826368492 1446296940 /nfs/dbraw/zinc/29/69/40/1446296940.db2.gz RJNPEHOVYZXXTC-SECBINFHSA-N 0 1 383.403 3.050 20 0 GGADMN CCOC(=O)C=CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821325799 1446305480 /nfs/dbraw/zinc/30/54/80/1446305480.db2.gz NGXUXPWPLQHNOW-QPJJXVBHSA-N 0 1 395.438 3.127 20 0 GGADMN CCOC(=O)C=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821325799 1446305485 /nfs/dbraw/zinc/30/54/85/1446305485.db2.gz NGXUXPWPLQHNOW-QPJJXVBHSA-N 0 1 395.438 3.127 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000823821413 1446310097 /nfs/dbraw/zinc/31/00/97/1446310097.db2.gz UATIINAYRCCCQR-GJZGRUSLSA-N 0 1 394.342 3.489 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821586297 1446311087 /nfs/dbraw/zinc/31/10/87/1446311087.db2.gz ROEZCBUXAWHZIC-UHFFFAOYSA-N 0 1 392.294 3.137 20 0 GGADMN CCC1(CNc2ncccc2-c2nnn[n-]2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171914 1446319810 /nfs/dbraw/zinc/31/98/10/1446319810.db2.gz WHIZUUYEPGAXFW-UHFFFAOYSA-N 0 1 377.496 3.366 20 0 GGADMN C[C@@H](c1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1)[NH+]1CCOCC1 ZINC000820562858 1446320977 /nfs/dbraw/zinc/32/09/77/1446320977.db2.gz JMZNMDHNMQIDHV-AWEZNQCLSA-N 0 1 382.443 3.011 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824625781 1446330530 /nfs/dbraw/zinc/33/05/30/1446330530.db2.gz JZXATFBCDPTLFP-JTQLQIEISA-N 0 1 396.348 3.193 20 0 GGADMN O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000823104174 1446334599 /nfs/dbraw/zinc/33/45/99/1446334599.db2.gz UAYJVZNDQCXVGE-UHFFFAOYSA-N 0 1 390.491 3.424 20 0 GGADMN C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824537394 1446337358 /nfs/dbraw/zinc/33/73/58/1446337358.db2.gz DUYMDEZNEFTJLW-IFXJQAMLSA-N 0 1 377.427 3.294 20 0 GGADMN Cc1cc[nH+]c(N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1-c1nnn[n-]1 ZINC000826309442 1446339581 /nfs/dbraw/zinc/33/95/81/1446339581.db2.gz PCLZMXUQJGIELJ-UHFFFAOYSA-N 0 1 392.442 3.168 20 0 GGADMN c1ccc(C2CC2)c(C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826520470 1446345709 /nfs/dbraw/zinc/34/57/09/1446345709.db2.gz KCXYKXNKHDAWMY-UHFFFAOYSA-N 0 1 388.519 3.452 20 0 GGADMN c1ccc(C2CC2)c(C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826520470 1446345714 /nfs/dbraw/zinc/34/57/14/1446345714.db2.gz KCXYKXNKHDAWMY-UHFFFAOYSA-N 0 1 388.519 3.452 20 0 GGADMN c1ccc(C2CC2)c(C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826520470 1446345720 /nfs/dbraw/zinc/34/57/20/1446345720.db2.gz KCXYKXNKHDAWMY-UHFFFAOYSA-N 0 1 388.519 3.452 20 0 GGADMN c1ccc(C2CC2)c(CN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826520470 1446345725 /nfs/dbraw/zinc/34/57/25/1446345725.db2.gz KCXYKXNKHDAWMY-UHFFFAOYSA-N 0 1 388.519 3.452 20 0 GGADMN c1ccc(C2CC2)c(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826520470 1446345730 /nfs/dbraw/zinc/34/57/30/1446345730.db2.gz KCXYKXNKHDAWMY-UHFFFAOYSA-N 0 1 388.519 3.452 20 0 GGADMN Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307645 1446349654 /nfs/dbraw/zinc/34/96/54/1446349654.db2.gz QTNBKSMUNMWRTJ-INIZCTEOSA-N 0 1 388.475 3.291 20 0 GGADMN Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307645 1446349656 /nfs/dbraw/zinc/34/96/56/1446349656.db2.gz QTNBKSMUNMWRTJ-INIZCTEOSA-N 0 1 388.475 3.291 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000826249353 1446359868 /nfs/dbraw/zinc/35/98/68/1446359868.db2.gz YDAKHJXGIGZADF-UHFFFAOYSA-N 0 1 390.491 3.091 20 0 GGADMN C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000736025300 1446372129 /nfs/dbraw/zinc/37/21/29/1446372129.db2.gz FXZLWMAXWSNAQR-GFCCVEGCSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000736025300 1446372133 /nfs/dbraw/zinc/37/21/33/1446372133.db2.gz FXZLWMAXWSNAQR-GFCCVEGCSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000736025300 1446372139 /nfs/dbraw/zinc/37/21/39/1446372139.db2.gz FXZLWMAXWSNAQR-GFCCVEGCSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000824052136 1446376845 /nfs/dbraw/zinc/37/68/45/1446376845.db2.gz LOTPZECMNXCYND-CHWSQXEVSA-N 0 1 386.525 3.032 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H](C)C2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737045909 1446381321 /nfs/dbraw/zinc/38/13/21/1446381321.db2.gz SSFCUOKBWWWNAB-OAHLLOKOSA-N 0 1 379.464 3.296 20 0 GGADMN COc1ccccc1[C@H]1CC[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821890059 1446388911 /nfs/dbraw/zinc/38/89/11/1446388911.db2.gz JNBAADIFUMDTBM-KRWDZBQOSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccccc1[C@H]1CC[N@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821890059 1446388917 /nfs/dbraw/zinc/38/89/17/1446388917.db2.gz JNBAADIFUMDTBM-KRWDZBQOSA-N 0 1 379.464 3.134 20 0 GGADMN COc1ccccc1[C@H]1CC[N@@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821890059 1446388921 /nfs/dbraw/zinc/38/89/21/1446388921.db2.gz JNBAADIFUMDTBM-KRWDZBQOSA-N 0 1 379.464 3.134 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826341381 1446397471 /nfs/dbraw/zinc/39/74/71/1446397471.db2.gz GIABMJISFMXPOK-UWVGGRQHSA-N 0 1 390.394 3.033 20 0 GGADMN CC[N@H+](Cc1c(C)nc2sc(C)nn12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428246 1446397705 /nfs/dbraw/zinc/39/77/05/1446397705.db2.gz GXMUVQHSYQQEOZ-GFCCVEGCSA-N 0 1 382.497 3.171 20 0 GGADMN CC[N@@H+](Cc1c(C)nc2sc(C)nn12)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428246 1446397707 /nfs/dbraw/zinc/39/77/07/1446397707.db2.gz GXMUVQHSYQQEOZ-GFCCVEGCSA-N 0 1 382.497 3.171 20 0 GGADMN CCC[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736473877 1446405750 /nfs/dbraw/zinc/40/57/50/1446405750.db2.gz UREHQOWHEMAOAS-IPMKNSEASA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736473877 1446405754 /nfs/dbraw/zinc/40/57/54/1446405754.db2.gz UREHQOWHEMAOAS-IPMKNSEASA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736473877 1446405755 /nfs/dbraw/zinc/40/57/55/1446405755.db2.gz UREHQOWHEMAOAS-IPMKNSEASA-N 0 1 385.512 3.161 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H]1CCC[C@@H]1O ZINC000825980927 1446412724 /nfs/dbraw/zinc/41/27/24/1446412724.db2.gz MEXQMTWABZRBJK-UWJYYQICSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCC[C@@H]1O ZINC000825980927 1446412726 /nfs/dbraw/zinc/41/27/26/1446412726.db2.gz MEXQMTWABZRBJK-UWJYYQICSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCC[C@@H]1O ZINC000825980927 1446412728 /nfs/dbraw/zinc/41/27/28/1446412728.db2.gz MEXQMTWABZRBJK-UWJYYQICSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000819867118 1446415704 /nfs/dbraw/zinc/41/57/04/1446415704.db2.gz RRXIJCFFTDFIQG-BBRMVZONSA-N 0 1 396.882 3.164 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000819867118 1446415705 /nfs/dbraw/zinc/41/57/05/1446415705.db2.gz RRXIJCFFTDFIQG-BBRMVZONSA-N 0 1 396.882 3.164 20 0 GGADMN C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824578094 1446416060 /nfs/dbraw/zinc/41/60/60/1446416060.db2.gz QQRZDTBTHCXIOI-AWEZNQCLSA-N 0 1 390.532 3.018 20 0 GGADMN O=C(CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737847426 1446424343 /nfs/dbraw/zinc/42/43/43/1446424343.db2.gz SANJSNIMXYHRLO-FQEVSTJZSA-N 0 1 394.454 3.465 20 0 GGADMN C[C@@](CO)([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000736025886 1446433377 /nfs/dbraw/zinc/43/33/77/1446433377.db2.gz KIMWRQMKYSEOKO-KRWDZBQOSA-N 0 1 395.360 3.022 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736899510 1446440077 /nfs/dbraw/zinc/44/00/77/1446440077.db2.gz AZWWVIMSJBFWFP-XVSDVWIESA-N 0 1 395.438 3.098 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736899510 1446440078 /nfs/dbraw/zinc/44/00/78/1446440078.db2.gz AZWWVIMSJBFWFP-XVSDVWIESA-N 0 1 395.438 3.098 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668497 1446446163 /nfs/dbraw/zinc/44/61/63/1446446163.db2.gz TZNKMUXSOFQJRT-SCLBCKFNSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668497 1446446164 /nfs/dbraw/zinc/44/61/64/1446446164.db2.gz TZNKMUXSOFQJRT-SCLBCKFNSA-N 0 1 380.427 3.027 20 0 GGADMN CN(c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1)C1CC[NH+](C)CC1 ZINC000821622010 1446448113 /nfs/dbraw/zinc/44/81/13/1446448113.db2.gz OYCJQBXYYZEAHZ-UHFFFAOYSA-N 0 1 395.486 3.148 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCCOC1 ZINC000824619702 1446453136 /nfs/dbraw/zinc/45/31/36/1446453136.db2.gz ZFKQDMFETLUOMS-UZLBHIALSA-N 0 1 393.491 3.350 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCc2cccc(COC3CCOCC3)c2)[nH+]1 ZINC000737239205 1446454762 /nfs/dbraw/zinc/45/47/62/1446454762.db2.gz ASYZZWNFNULSLS-UHFFFAOYSA-N 0 1 394.479 3.186 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823700002 1446461678 /nfs/dbraw/zinc/46/16/78/1446461678.db2.gz YWOOMMILJJWCMI-NHCUHLMSSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823700002 1446461679 /nfs/dbraw/zinc/46/16/79/1446461679.db2.gz YWOOMMILJJWCMI-NHCUHLMSSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823700002 1446461680 /nfs/dbraw/zinc/46/16/80/1446461680.db2.gz YWOOMMILJJWCMI-NHCUHLMSSA-N 0 1 393.491 3.224 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001139850986 1446466711 /nfs/dbraw/zinc/46/67/11/1446466711.db2.gz YGAFZNFNQIACDW-NRFANRHFSA-N 0 1 398.511 3.232 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000820270269 1446469331 /nfs/dbraw/zinc/46/93/31/1446469331.db2.gz YWAPMLBFSGGMMJ-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000820270269 1446469332 /nfs/dbraw/zinc/46/93/32/1446469332.db2.gz YWAPMLBFSGGMMJ-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000820270269 1446469333 /nfs/dbraw/zinc/46/93/33/1446469333.db2.gz YWAPMLBFSGGMMJ-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139850495 1446472409 /nfs/dbraw/zinc/47/24/09/1446472409.db2.gz BXDCNJXMAVPFPB-IBGZPJMESA-N 0 1 390.491 3.477 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139850495 1446472410 /nfs/dbraw/zinc/47/24/10/1446472410.db2.gz BXDCNJXMAVPFPB-IBGZPJMESA-N 0 1 390.491 3.477 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139850495 1446472411 /nfs/dbraw/zinc/47/24/11/1446472411.db2.gz BXDCNJXMAVPFPB-IBGZPJMESA-N 0 1 390.491 3.477 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604394 1446479360 /nfs/dbraw/zinc/47/93/60/1446479360.db2.gz CAUADJIINHYRMC-GFCCVEGCSA-N 0 1 395.467 3.418 20 0 GGADMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824540307 1446479406 /nfs/dbraw/zinc/47/94/06/1446479406.db2.gz WAVUGJHSTYHSGM-DXJOGWAWSA-N 0 1 398.511 3.448 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OCc2nccn2C)cc1 ZINC000820431839 1446479814 /nfs/dbraw/zinc/47/98/14/1446479814.db2.gz IPTSPNUYFIIHSQ-HNNXBMFYSA-N 0 1 389.463 3.030 20 0 GGADMN C[N@@H+](CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000821599216 1446486351 /nfs/dbraw/zinc/48/63/51/1446486351.db2.gz KNTFKRIPPWYQCI-UHFFFAOYSA-N 0 1 391.907 3.296 20 0 GGADMN C[N@H+](CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000821599216 1446486354 /nfs/dbraw/zinc/48/63/54/1446486354.db2.gz KNTFKRIPPWYQCI-UHFFFAOYSA-N 0 1 391.907 3.296 20 0 GGADMN C[N@@H+](CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000821599216 1446486355 /nfs/dbraw/zinc/48/63/55/1446486355.db2.gz KNTFKRIPPWYQCI-UHFFFAOYSA-N 0 1 391.907 3.296 20 0 GGADMN Cn1cc(C[NH2+]Cc2cccc3[nH]ccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361672 1446490542 /nfs/dbraw/zinc/49/05/42/1446490542.db2.gz IGCYUXFLOSFDGN-UHFFFAOYSA-N 0 1 384.447 3.038 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000820421037 1446500876 /nfs/dbraw/zinc/50/08/76/1446500876.db2.gz ZZGOFSGHQRJAFR-BDJLRTHQSA-N 0 1 393.369 3.150 20 0 GGADMN CC(C)[N@@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735861248 1446502232 /nfs/dbraw/zinc/50/22/32/1446502232.db2.gz VKRKVKAANFUZSJ-UHFFFAOYSA-N 0 1 375.480 3.207 20 0 GGADMN CC(C)[N@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735861248 1446502235 /nfs/dbraw/zinc/50/22/35/1446502235.db2.gz VKRKVKAANFUZSJ-UHFFFAOYSA-N 0 1 375.480 3.207 20 0 GGADMN CC(C)[N@@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735861248 1446502238 /nfs/dbraw/zinc/50/22/38/1446502238.db2.gz VKRKVKAANFUZSJ-UHFFFAOYSA-N 0 1 375.480 3.207 20 0 GGADMN CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820972196 1446504636 /nfs/dbraw/zinc/50/46/36/1446504636.db2.gz MAOVDQLMFVMBGF-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820972196 1446504641 /nfs/dbraw/zinc/50/46/41/1446504641.db2.gz MAOVDQLMFVMBGF-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820972196 1446504644 /nfs/dbraw/zinc/50/46/44/1446504644.db2.gz MAOVDQLMFVMBGF-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824671115 1446513368 /nfs/dbraw/zinc/51/33/68/1446513368.db2.gz XHRGWPABPVHCIM-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824671115 1446513370 /nfs/dbraw/zinc/51/33/70/1446513370.db2.gz XHRGWPABPVHCIM-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824671115 1446513372 /nfs/dbraw/zinc/51/33/72/1446513372.db2.gz XHRGWPABPVHCIM-WCQYABFASA-N 0 1 389.916 3.299 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737331594 1446522218 /nfs/dbraw/zinc/52/22/18/1446522218.db2.gz PSZMECTWQSKIBN-HXUWFJFHSA-N 0 1 390.491 3.019 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000826183370 1446550821 /nfs/dbraw/zinc/55/08/21/1446550821.db2.gz NNKHWSRLFKGVLK-OAHLLOKOSA-N 0 1 383.477 3.174 20 0 GGADMN Clc1ccccc1N1CCN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CC1 ZINC000737585050 1446555168 /nfs/dbraw/zinc/55/51/68/1446555168.db2.gz XJAWHJAYSGUCJD-UHFFFAOYSA-N 0 1 391.866 3.395 20 0 GGADMN CC(=O)c1ccc(N2CC[NH+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000735495408 1446560860 /nfs/dbraw/zinc/56/08/60/1446560860.db2.gz IQSCNBVUANXYIX-CQSZACIVSA-N 0 1 394.454 3.092 20 0 GGADMN Fc1ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000822778436 1446566934 /nfs/dbraw/zinc/56/69/34/1446566934.db2.gz IAHZSYYAKFHQDF-UHFFFAOYSA-N 0 1 388.397 3.361 20 0 GGADMN C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612738 1446570031 /nfs/dbraw/zinc/57/00/31/1446570031.db2.gz IBWRZFUDHIDABM-IFMALSPDSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612738 1446570035 /nfs/dbraw/zinc/57/00/35/1446570035.db2.gz IBWRZFUDHIDABM-IFMALSPDSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612738 1446570039 /nfs/dbraw/zinc/57/00/39/1446570039.db2.gz IBWRZFUDHIDABM-IFMALSPDSA-N 0 1 377.492 3.245 20 0 GGADMN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821581241 1446585885 /nfs/dbraw/zinc/58/58/85/1446585885.db2.gz HAZNJKXPEOXKPH-HZPDHXFCSA-N 0 1 390.491 3.136 20 0 GGADMN OC1(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000823699783 1446595598 /nfs/dbraw/zinc/59/55/98/1446595598.db2.gz XPLMKCGMBLXEDT-UHFFFAOYSA-N 0 1 381.455 3.313 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612679 1446598570 /nfs/dbraw/zinc/59/85/70/1446598570.db2.gz ORIXQJMHNIZNKP-CQSZACIVSA-N 0 1 377.427 3.101 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604395 1446598703 /nfs/dbraw/zinc/59/87/03/1446598703.db2.gz CAUADJIINHYRMC-LBPRGKRZSA-N 0 1 395.467 3.418 20 0 GGADMN Brc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)s1 ZINC000735369344 1446599312 /nfs/dbraw/zinc/59/93/12/1446599312.db2.gz RQGYXGSNEVXAAA-UHFFFAOYSA-N 0 1 387.266 3.273 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000826181616 1446617798 /nfs/dbraw/zinc/61/77/98/1446617798.db2.gz HLOMWHZEBBSCQO-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](C)Cc1csc(Br)c1 ZINC000826181616 1446617797 /nfs/dbraw/zinc/61/77/97/1446617797.db2.gz HLOMWHZEBBSCQO-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN Fc1ccc([C@H]([NH2+]CCOc2ccc(-c3nnn[n-]3)cc2)c2ccccn2)cc1 ZINC000826373319 1446641880 /nfs/dbraw/zinc/64/18/80/1446641880.db2.gz HZGPJRVUQKCWTG-FQEVSTJZSA-N 0 1 390.422 3.159 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1Cl ZINC000826194356 1446643377 /nfs/dbraw/zinc/64/33/77/1446643377.db2.gz KEZBNODRFFIGPM-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN CCCO[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825339320 1446654513 /nfs/dbraw/zinc/65/45/13/1446654513.db2.gz WKQQYILSXZIWSL-IBGZPJMESA-N 0 1 395.511 3.048 20 0 GGADMN CCCO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825339320 1446654515 /nfs/dbraw/zinc/65/45/15/1446654515.db2.gz WKQQYILSXZIWSL-IBGZPJMESA-N 0 1 395.511 3.048 20 0 GGADMN CCCO[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825339320 1446654516 /nfs/dbraw/zinc/65/45/16/1446654516.db2.gz WKQQYILSXZIWSL-IBGZPJMESA-N 0 1 395.511 3.048 20 0 GGADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000820021153 1446680323 /nfs/dbraw/zinc/68/03/23/1446680323.db2.gz PVHJDOQAERIABS-QGZVFWFLSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@@H](CC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820021153 1446680330 /nfs/dbraw/zinc/68/03/30/1446680330.db2.gz PVHJDOQAERIABS-QGZVFWFLSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820021153 1446680339 /nfs/dbraw/zinc/68/03/39/1446680339.db2.gz PVHJDOQAERIABS-QGZVFWFLSA-N 0 1 388.516 3.238 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000821614919 1446680735 /nfs/dbraw/zinc/68/07/35/1446680735.db2.gz ZSIYJPCRYIJZIT-UHFFFAOYSA-N 0 1 382.487 3.254 20 0 GGADMN C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000821614919 1446680742 /nfs/dbraw/zinc/68/07/42/1446680742.db2.gz ZSIYJPCRYIJZIT-UHFFFAOYSA-N 0 1 382.487 3.254 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000821614919 1446680750 /nfs/dbraw/zinc/68/07/50/1446680750.db2.gz ZSIYJPCRYIJZIT-UHFFFAOYSA-N 0 1 382.487 3.254 20 0 GGADMN CCC[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736415246 1446681956 /nfs/dbraw/zinc/68/19/56/1446681956.db2.gz FQJIWZUUDNFVGZ-NRFANRHFSA-N 0 1 381.480 3.086 20 0 GGADMN CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCC2)C1 ZINC000820989624 1446695374 /nfs/dbraw/zinc/69/53/74/1446695374.db2.gz XIPNVBCHQSELSV-OAHLLOKOSA-N 0 1 385.516 3.071 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)s2)C1 ZINC000820709765 1446716613 /nfs/dbraw/zinc/71/66/13/1446716613.db2.gz LPLOMSWLLJFWKS-OAHLLOKOSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)s2)C1 ZINC000820709765 1446716617 /nfs/dbraw/zinc/71/66/17/1446716617.db2.gz LPLOMSWLLJFWKS-OAHLLOKOSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@H]1CN(c2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)c[nH+]2)C[C@H](C)O1 ZINC000736289516 1446721211 /nfs/dbraw/zinc/72/12/11/1446721211.db2.gz MIWIGAUDHVFBAZ-STQMWFEESA-N 0 1 399.886 3.141 20 0 GGADMN c1ccc2c(c1)COC21CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823762174 1446739118 /nfs/dbraw/zinc/73/91/18/1446739118.db2.gz LJXJGDVZLCOTJX-UHFFFAOYSA-N 0 1 391.475 3.157 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000822740121 1446745850 /nfs/dbraw/zinc/74/58/50/1446745850.db2.gz HGMWTVOHIDOUBV-CYBMUJFWSA-N 0 1 386.862 3.275 20 0 GGADMN FC(F)(F)c1csc(CCNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)n1 ZINC000826369025 1446747402 /nfs/dbraw/zinc/74/74/02/1446747402.db2.gz JNTGLNVDMBXIAD-UHFFFAOYSA-N 0 1 395.414 3.270 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@@H](CCO)c3ccccc3)c2c1 ZINC000822195281 1446752415 /nfs/dbraw/zinc/75/24/15/1446752415.db2.gz NAUVFSIMBGIZBJ-QGZVFWFLSA-N 0 1 388.475 3.032 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000826169159 1446761668 /nfs/dbraw/zinc/76/16/68/1446761668.db2.gz JYYVAMGSRVQYSP-GOSISDBHSA-N 0 1 389.463 3.099 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000826169159 1446761671 /nfs/dbraw/zinc/76/16/71/1446761671.db2.gz JYYVAMGSRVQYSP-GOSISDBHSA-N 0 1 389.463 3.099 20 0 GGADMN C[C@H]1C[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736290553 1446774551 /nfs/dbraw/zinc/77/45/51/1446774551.db2.gz QUABBAZZUMMIIS-LIRRHRJNSA-N 0 1 392.438 3.221 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000736290553 1446774555 /nfs/dbraw/zinc/77/45/55/1446774555.db2.gz QUABBAZZUMMIIS-LIRRHRJNSA-N 0 1 392.438 3.221 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000826168325 1446776105 /nfs/dbraw/zinc/77/61/05/1446776105.db2.gz JTYDEJSPQJQQAB-UHFFFAOYSA-N 0 1 378.480 3.260 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)c1-c1nnn[n-]1 ZINC000822016362 1446777075 /nfs/dbraw/zinc/77/70/75/1446777075.db2.gz YORILZHYMPDSTN-OAHLLOKOSA-N 0 1 399.543 3.459 20 0 GGADMN CC(C)(C)OC(=O)C1CCC(Nc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CC1 ZINC000824092968 1446787362 /nfs/dbraw/zinc/78/73/62/1446787362.db2.gz CMHAMMXPHYOPBL-UHFFFAOYSA-N 0 1 394.479 3.149 20 0 GGADMN O=C(CC[NH+]1C2CCCC1CCC2)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822965085 1446804807 /nfs/dbraw/zinc/80/48/07/1446804807.db2.gz ZTPRXAHEBOLFIO-UHFFFAOYSA-N 0 1 386.525 3.153 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735857232 1446810290 /nfs/dbraw/zinc/81/02/90/1446810290.db2.gz PSJXSQDWQNVHFY-UHFFFAOYSA-N 0 1 397.458 3.168 20 0 GGADMN CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735857232 1446810292 /nfs/dbraw/zinc/81/02/92/1446810292.db2.gz PSJXSQDWQNVHFY-UHFFFAOYSA-N 0 1 397.458 3.168 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735857232 1446810296 /nfs/dbraw/zinc/81/02/96/1446810296.db2.gz PSJXSQDWQNVHFY-UHFFFAOYSA-N 0 1 397.458 3.168 20 0 GGADMN CC[NH+](CC)CCOc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821189806 1446815389 /nfs/dbraw/zinc/81/53/89/1446815389.db2.gz UNEOOHYIJMUEME-UHFFFAOYSA-N 0 1 398.486 3.016 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000735874469 1446819225 /nfs/dbraw/zinc/81/92/25/1446819225.db2.gz IQKUNFHLWBSSQD-IRXDYDNUSA-N 0 1 399.543 3.050 20 0 GGADMN C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825962324 1446824512 /nfs/dbraw/zinc/82/45/12/1446824512.db2.gz WQZVQTRFTPLRNI-UHFFFAOYSA-N 0 1 393.882 3.397 20 0 GGADMN C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825962324 1446824516 /nfs/dbraw/zinc/82/45/16/1446824516.db2.gz WQZVQTRFTPLRNI-UHFFFAOYSA-N 0 1 393.882 3.397 20 0 GGADMN O[C@@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)c1cc2ccccc2s1 ZINC000823689316 1446826973 /nfs/dbraw/zinc/82/69/73/1446826973.db2.gz DPKLYBVNVPVGCB-INIZCTEOSA-N 0 1 388.456 3.197 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682408 1446837604 /nfs/dbraw/zinc/83/76/04/1446837604.db2.gz PUOXNFBIWKFHIM-IEBWSBKVSA-N 0 1 399.882 3.097 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736446584 1446852833 /nfs/dbraw/zinc/85/28/33/1446852833.db2.gz JMBCVTBOJAHJRU-LPHOPBHVSA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446584 1446852840 /nfs/dbraw/zinc/85/28/40/1446852840.db2.gz JMBCVTBOJAHJRU-LPHOPBHVSA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446584 1446852846 /nfs/dbraw/zinc/85/28/46/1446852846.db2.gz JMBCVTBOJAHJRU-LPHOPBHVSA-N 0 1 384.528 3.336 20 0 GGADMN c1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc(-c2nnn[n-]2)c1 ZINC001139853681 1446857429 /nfs/dbraw/zinc/85/74/29/1446857429.db2.gz ZEULXOZNVVLDFT-DXBBTUNJSA-N 0 1 390.535 3.262 20 0 GGADMN c1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc(-c2nnn[n-]2)c1 ZINC001139853681 1446857433 /nfs/dbraw/zinc/85/74/33/1446857433.db2.gz ZEULXOZNVVLDFT-DXBBTUNJSA-N 0 1 390.535 3.262 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1)CC1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737839430 1446859709 /nfs/dbraw/zinc/85/97/09/1446859709.db2.gz SCNOMIBUSPXOGL-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN O=C(CC[N@@H+](Cc1ccc(F)cc1)CC1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737839430 1446859712 /nfs/dbraw/zinc/85/97/12/1446859712.db2.gz SCNOMIBUSPXOGL-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1)CC1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737839430 1446859717 /nfs/dbraw/zinc/85/97/17/1446859717.db2.gz SCNOMIBUSPXOGL-UHFFFAOYSA-N 0 1 394.454 3.247 20 0 GGADMN CCc1nc(C[NH+]2CCC(CNc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000736705246 1446874719 /nfs/dbraw/zinc/87/47/19/1446874719.db2.gz ZVPUCCSLZSFJGH-UHFFFAOYSA-N 0 1 383.525 3.210 20 0 GGADMN Fc1ccccc1COC1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000826378329 1446900146 /nfs/dbraw/zinc/90/01/46/1446900146.db2.gz FEVBFFSVIXPGDY-UHFFFAOYSA-N 0 1 394.454 3.075 20 0 GGADMN COc1cccc(C[N@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]2CCCO2)c1 ZINC000821867380 1446901954 /nfs/dbraw/zinc/90/19/54/1446901954.db2.gz DRAHYSKKIUCCNL-LJQANCHMSA-N 0 1 397.454 3.196 20 0 GGADMN CC[N@@H+](CCNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000736537032 1446909572 /nfs/dbraw/zinc/90/95/72/1446909572.db2.gz PMYSOJHRANJGLN-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC[N@H+](CCNCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000736537032 1446909574 /nfs/dbraw/zinc/90/95/74/1446909574.db2.gz PMYSOJHRANJGLN-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC[N@@H+](CCNCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000736537032 1446909578 /nfs/dbraw/zinc/90/95/78/1446909578.db2.gz PMYSOJHRANJGLN-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(C)C ZINC000736537032 1446909580 /nfs/dbraw/zinc/90/95/80/1446909580.db2.gz PMYSOJHRANJGLN-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000736537032 1446909583 /nfs/dbraw/zinc/90/95/83/1446909583.db2.gz PMYSOJHRANJGLN-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)Oc1cc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)ccc1OC ZINC000820875934 1446916155 /nfs/dbraw/zinc/91/61/55/1446916155.db2.gz IQVNDMCKQRKYOG-ZDUSSCGKSA-N 0 1 385.443 3.482 20 0 GGADMN FC(F)(F)c1cc(NCC[N@H+]2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737633991 1446924169 /nfs/dbraw/zinc/92/41/69/1446924169.db2.gz XDEJHOOISIPWIF-UHFFFAOYSA-N 0 1 388.397 3.356 20 0 GGADMN Cc1cccc(-c2cccc(C[NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)c2)c1 ZINC000737381535 1446928480 /nfs/dbraw/zinc/92/84/80/1446928480.db2.gz YXNJZMJAICSHDJ-UHFFFAOYSA-N 0 1 396.458 3.175 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822556491 1446942555 /nfs/dbraw/zinc/94/25/55/1446942555.db2.gz CFRDQADXNZATIE-HXUWFJFHSA-N 0 1 396.520 3.147 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822556491 1446942558 /nfs/dbraw/zinc/94/25/58/1446942558.db2.gz CFRDQADXNZATIE-HXUWFJFHSA-N 0 1 396.520 3.147 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH+]1 ZINC000826274062 1446949108 /nfs/dbraw/zinc/94/91/08/1446949108.db2.gz FRJVBJWXQDKRHM-CYBMUJFWSA-N 0 1 381.509 3.289 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000822332053 1446954118 /nfs/dbraw/zinc/95/41/18/1446954118.db2.gz LLMFGJMHLULRAJ-UHFFFAOYSA-N 0 1 377.496 3.178 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000822332053 1446954119 /nfs/dbraw/zinc/95/41/19/1446954119.db2.gz LLMFGJMHLULRAJ-UHFFFAOYSA-N 0 1 377.496 3.178 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000822332053 1446954123 /nfs/dbraw/zinc/95/41/23/1446954123.db2.gz LLMFGJMHLULRAJ-UHFFFAOYSA-N 0 1 377.496 3.178 20 0 GGADMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)C2)cn1 ZINC000822674052 1446984734 /nfs/dbraw/zinc/98/47/34/1446984734.db2.gz KFSJDMGMXFQPTN-SFHVURJKSA-N 0 1 399.502 3.332 20 0 GGADMN Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)C2)cn1 ZINC000822674052 1446984735 /nfs/dbraw/zinc/98/47/35/1446984735.db2.gz KFSJDMGMXFQPTN-SFHVURJKSA-N 0 1 399.502 3.332 20 0 GGADMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)C2)cn1 ZINC000822674052 1446984738 /nfs/dbraw/zinc/98/47/38/1446984738.db2.gz KFSJDMGMXFQPTN-SFHVURJKSA-N 0 1 399.502 3.332 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585126 1446986676 /nfs/dbraw/zinc/98/66/76/1446986676.db2.gz ODKNFZVLIKRWSU-DZGCQCFKSA-N 0 1 375.448 3.122 20 0 GGADMN COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826161122 1446991197 /nfs/dbraw/zinc/99/11/97/1446991197.db2.gz UVXYXBQHTRGLKV-AWEZNQCLSA-N 0 1 385.443 3.190 20 0 GGADMN Fc1ccc(-c2nn[n-]n2)c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000822758263 1446994388 /nfs/dbraw/zinc/99/43/88/1446994388.db2.gz MJHCVHGYJYQXHT-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN C[N@H+]1CC[C@H](CNc2cnccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826022793 1446999499 /nfs/dbraw/zinc/99/94/99/1446999499.db2.gz RRAAXYZSIFOCIM-SJKOYZFVSA-N 0 1 387.850 3.159 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001139089844 1446999960 /nfs/dbraw/zinc/99/99/60/1446999960.db2.gz XCCQDKIGDZRVHN-OAQYLSRUSA-N 0 1 398.511 3.232 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613618 1447005139 /nfs/dbraw/zinc/00/51/39/1447005139.db2.gz VVHUHWZLRSBAAO-SECBINFHSA-N 0 1 377.221 3.014 20 0 GGADMN O[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738391605 1447012266 /nfs/dbraw/zinc/01/22/66/1447012266.db2.gz YLEGMNRZPAZSSR-PZJWPPBQSA-N 0 1 393.491 3.086 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)cc1-c1nnn[n-]1 ZINC000826201764 1447062628 /nfs/dbraw/zinc/06/26/28/1447062628.db2.gz DBTOVDAWHKPYSJ-NSHDSACASA-N 0 1 397.870 3.266 20 0 GGADMN CC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000735495407 1447080260 /nfs/dbraw/zinc/08/02/60/1447080260.db2.gz IQSCNBVUANXYIX-AWEZNQCLSA-N 0 1 394.454 3.092 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1c1ccccc1 ZINC000820995635 1447086563 /nfs/dbraw/zinc/08/65/63/1447086563.db2.gz VINHTLBAGCGNNG-CZAAIQMYSA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820995635 1447086568 /nfs/dbraw/zinc/08/65/68/1447086568.db2.gz VINHTLBAGCGNNG-CZAAIQMYSA-N 0 1 377.492 3.416 20 0 GGADMN CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000820995635 1447086573 /nfs/dbraw/zinc/08/65/73/1447086573.db2.gz VINHTLBAGCGNNG-CZAAIQMYSA-N 0 1 377.492 3.416 20 0 GGADMN Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000822242361 1447115192 /nfs/dbraw/zinc/11/51/92/1447115192.db2.gz JHMPABSVNHNBOO-CYBMUJFWSA-N 0 1 384.871 3.335 20 0 GGADMN c1ccc([C@H]([NH2+]CCOc2ccccc2-c2nn[n-]n2)C2CCOCC2)cc1 ZINC000826520833 1447121587 /nfs/dbraw/zinc/12/15/87/1447121587.db2.gz SJJPNBXADQJPMC-FQEVSTJZSA-N 0 1 379.464 3.003 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736235319 1447126810 /nfs/dbraw/zinc/12/68/10/1447126810.db2.gz NCJKUDZIMYVRGW-MAUKXSAKSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736235319 1447126815 /nfs/dbraw/zinc/12/68/15/1447126815.db2.gz NCJKUDZIMYVRGW-MAUKXSAKSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736235319 1447126818 /nfs/dbraw/zinc/12/68/18/1447126818.db2.gz NCJKUDZIMYVRGW-MAUKXSAKSA-N 0 1 376.464 3.073 20 0 GGADMN Cc1cc(C[C@@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)cs2)n(-c2ccccc2)n1 ZINC000822200235 1447131988 /nfs/dbraw/zinc/13/19/88/1447131988.db2.gz ZKUMMZGJKUCQRU-CYBMUJFWSA-N 0 1 379.493 3.143 20 0 GGADMN Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826299167 1447138991 /nfs/dbraw/zinc/13/89/91/1447138991.db2.gz UKLZTDOFBVFSAB-OAHLLOKOSA-N 0 1 376.464 3.171 20 0 GGADMN O=C(CC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(F)cc1 ZINC000826407224 1447142072 /nfs/dbraw/zinc/14/20/72/1447142072.db2.gz FSRPVUOXZZYKPF-UHFFFAOYSA-N 0 1 395.438 3.122 20 0 GGADMN c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CC[NH+](CCC2CCCC2)CC1 ZINC000738436910 1447156256 /nfs/dbraw/zinc/15/62/56/1447156256.db2.gz LIOUQCPEYDGYFD-UHFFFAOYSA-N 0 1 377.496 3.117 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCCSCC[NH+](C(C)C)C(C)C ZINC000826176276 1447159211 /nfs/dbraw/zinc/15/92/11/1447159211.db2.gz IODCUAIIZWRXKO-UHFFFAOYSA-N 0 1 379.530 3.106 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736321947 1447161909 /nfs/dbraw/zinc/16/19/09/1447161909.db2.gz GUSQQHXBHVYSPO-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736321947 1447161911 /nfs/dbraw/zinc/16/19/11/1447161911.db2.gz GUSQQHXBHVYSPO-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736321947 1447161913 /nfs/dbraw/zinc/16/19/13/1447161913.db2.gz GUSQQHXBHVYSPO-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN Cc1oc(NC(=O)C[NH+]2CCC(c3cccc(F)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000822548431 1447170830 /nfs/dbraw/zinc/17/08/30/1447170830.db2.gz KUWAEJSJLUEBBG-UHFFFAOYSA-N 0 1 398.442 3.034 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000826182509 1447179308 /nfs/dbraw/zinc/17/93/08/1447179308.db2.gz MBRDMPLGOUGPIT-UHFFFAOYSA-N 0 1 387.447 3.041 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1CN1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000826182509 1447179314 /nfs/dbraw/zinc/17/93/14/1447179314.db2.gz MBRDMPLGOUGPIT-UHFFFAOYSA-N 0 1 387.447 3.041 20 0 GGADMN C[C@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)CO1 ZINC000820758770 1447179226 /nfs/dbraw/zinc/17/92/26/1447179226.db2.gz CROABCWJJVMSHE-JXFKEZNVSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)CO1 ZINC000820758770 1447179230 /nfs/dbraw/zinc/17/92/30/1447179230.db2.gz CROABCWJJVMSHE-JXFKEZNVSA-N 0 1 379.464 3.098 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCN(c2ccccc2F)CC1 ZINC000737408679 1447179970 /nfs/dbraw/zinc/17/99/70/1447179970.db2.gz JUMCVOUUFTYKIQ-UHFFFAOYSA-N 0 1 389.438 3.189 20 0 GGADMN O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826507368 1447182252 /nfs/dbraw/zinc/18/22/52/1447182252.db2.gz NLEOLPZJUHITLT-IRXDYDNUSA-N 0 1 389.381 3.193 20 0 GGADMN O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826507368 1447182256 /nfs/dbraw/zinc/18/22/56/1447182256.db2.gz NLEOLPZJUHITLT-IRXDYDNUSA-N 0 1 389.381 3.193 20 0 GGADMN Cc1cc[nH+]c(N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1-c1nnn[n-]1 ZINC000826309648 1447203204 /nfs/dbraw/zinc/20/32/04/1447203204.db2.gz WYANJOKPNONTCH-UHFFFAOYSA-N 0 1 392.442 3.168 20 0 GGADMN CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736535905 1447209584 /nfs/dbraw/zinc/20/95/84/1447209584.db2.gz YBOOMCUSCVKRCU-DNVCBOLYSA-N 0 1 392.463 3.275 20 0 GGADMN CC[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736535905 1447209591 /nfs/dbraw/zinc/20/95/91/1447209591.db2.gz YBOOMCUSCVKRCU-DNVCBOLYSA-N 0 1 392.463 3.275 20 0 GGADMN CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736535905 1447209595 /nfs/dbraw/zinc/20/95/95/1447209595.db2.gz YBOOMCUSCVKRCU-DNVCBOLYSA-N 0 1 392.463 3.275 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668498 1447219791 /nfs/dbraw/zinc/21/97/91/1447219791.db2.gz TZNKMUXSOFQJRT-UGSOOPFHSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668498 1447219794 /nfs/dbraw/zinc/21/97/94/1447219794.db2.gz TZNKMUXSOFQJRT-UGSOOPFHSA-N 0 1 380.427 3.027 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000737032694 1447230353 /nfs/dbraw/zinc/23/03/53/1447230353.db2.gz KJVPRQDJEAKOGD-GFCCVEGCSA-N 0 1 388.497 3.020 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605510 1447239057 /nfs/dbraw/zinc/23/90/57/1447239057.db2.gz JAGWZTROQMJAGT-CYBMUJFWSA-N 0 1 377.477 3.279 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826183787 1447244464 /nfs/dbraw/zinc/24/44/64/1447244464.db2.gz ZXMUYLMVDCFANO-IBGZPJMESA-N 0 1 378.480 3.278 20 0 GGADMN c1cc(-c2nnc(C[N@H+]3CCCC4(CCCCC4)C3)o2)ccc1-c1nnn[n-]1 ZINC000823738599 1447264472 /nfs/dbraw/zinc/26/44/72/1447264472.db2.gz VYYGYSOUACBDFM-UHFFFAOYSA-N 0 1 379.468 3.463 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736126483 1447270589 /nfs/dbraw/zinc/27/05/89/1447270589.db2.gz ODHJQXXQCCTDDX-MRXNPFEDSA-N 0 1 392.507 3.045 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000825317997 1447280535 /nfs/dbraw/zinc/28/05/35/1447280535.db2.gz GNBWONDKELVYTP-UHFFFAOYSA-N 0 1 377.496 3.274 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413696 1447286471 /nfs/dbraw/zinc/28/64/71/1447286471.db2.gz UIROPUKYEKUESX-ZIAGYGMSSA-N 0 1 378.436 3.235 20 0 GGADMN COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826191246 1447287437 /nfs/dbraw/zinc/28/74/37/1447287437.db2.gz ARHSJDISMHICNK-HUUCEWRRSA-N 0 1 381.480 3.413 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824613592 1447295257 /nfs/dbraw/zinc/29/52/57/1447295257.db2.gz VLTOLXOVYGRARS-GFCCVEGCSA-N 0 1 381.390 3.181 20 0 GGADMN O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737875327 1447340771 /nfs/dbraw/zinc/34/07/71/1447340771.db2.gz JDGRDMNJVOWQBA-OAHLLOKOSA-N 0 1 396.882 3.023 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824860790 1449029465 /nfs/dbraw/zinc/02/94/65/1449029465.db2.gz XUNZYFLUSAWVSE-BEVDRBHNSA-N 0 1 389.507 3.012 20 0 GGADMN C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824594162 1449048305 /nfs/dbraw/zinc/04/83/05/1449048305.db2.gz XHOXXVGUIVEBAK-MRXNPFEDSA-N 0 1 390.491 3.197 20 0 GGADMN Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000826295366 1449055867 /nfs/dbraw/zinc/05/58/67/1449055867.db2.gz DRSLDUTULYHIMC-GFCCVEGCSA-N 0 1 393.476 3.074 20 0 GGADMN C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820683835 1449064702 /nfs/dbraw/zinc/06/47/02/1449064702.db2.gz HXOZGNWPXLUJFX-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820683835 1449064708 /nfs/dbraw/zinc/06/47/08/1449064708.db2.gz HXOZGNWPXLUJFX-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820683835 1449064715 /nfs/dbraw/zinc/06/47/15/1449064715.db2.gz HXOZGNWPXLUJFX-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000826371825 1449082888 /nfs/dbraw/zinc/08/28/88/1449082888.db2.gz VYYLEUOIXXPBBX-UHFFFAOYSA-N 0 1 378.386 3.497 20 0 GGADMN C[C@@H](CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[NH+]1CCCCC1 ZINC000824401964 1449083320 /nfs/dbraw/zinc/08/33/20/1449083320.db2.gz SJFNQYTZOZKWTA-LBPRGKRZSA-N 0 1 393.948 3.071 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F)c1ccco1 ZINC000823672461 1449101525 /nfs/dbraw/zinc/10/15/25/1449101525.db2.gz DUZMZOVYMKFXFF-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cc(-c2nn[n-]n2)ccc1F)c1ccco1 ZINC000823672461 1449101532 /nfs/dbraw/zinc/10/15/32/1449101532.db2.gz DUZMZOVYMKFXFF-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cc(-c2nn[n-]n2)ccc1F)c1ccco1 ZINC000823672461 1449101537 /nfs/dbraw/zinc/10/15/37/1449101537.db2.gz DUZMZOVYMKFXFF-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824545987 1449151717 /nfs/dbraw/zinc/15/17/17/1449151717.db2.gz FZJWIUNGCHMGLZ-GESALYCCSA-N 0 1 384.434 3.241 20 0 GGADMN Cn1cc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C(C)(C)C)n1 ZINC000826360326 1449159201 /nfs/dbraw/zinc/15/92/01/1449159201.db2.gz GMTDLPOQSVKZHE-UHFFFAOYSA-N 0 1 377.496 3.187 20 0 GGADMN C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1)c1ccccc1 ZINC000736129325 1449181964 /nfs/dbraw/zinc/18/19/64/1449181964.db2.gz DAUJPDQULMAEST-INIZCTEOSA-N 0 1 390.491 3.260 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1ccc(F)cc1 ZINC000735549628 1449194641 /nfs/dbraw/zinc/19/46/41/1449194641.db2.gz BQFJWSVUMXMCMI-NSHDSACASA-N 0 1 388.834 3.118 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000735549628 1449194648 /nfs/dbraw/zinc/19/46/48/1449194648.db2.gz BQFJWSVUMXMCMI-NSHDSACASA-N 0 1 388.834 3.118 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821717000 1449197288 /nfs/dbraw/zinc/19/72/88/1449197288.db2.gz JFRMNXLOCKIZEM-RBUKOAKNSA-N 0 1 391.475 3.439 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826169998 1449200058 /nfs/dbraw/zinc/20/00/58/1449200058.db2.gz LNWSKQXMMCUGSQ-KXBFYZLASA-N 0 1 379.464 3.133 20 0 GGADMN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824545556 1449210073 /nfs/dbraw/zinc/21/00/73/1449210073.db2.gz DBKUKTNNVPMDJH-CQSZACIVSA-N 0 1 398.461 3.460 20 0 GGADMN O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826426559 1449214440 /nfs/dbraw/zinc/21/44/40/1449214440.db2.gz QBCPXXKDQQJBMI-GOSISDBHSA-N 0 1 396.882 3.087 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826332474 1449225511 /nfs/dbraw/zinc/22/55/11/1449225511.db2.gz VRIROMQEHMMTQN-UHFFFAOYSA-N 0 1 379.493 3.363 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826332474 1449225519 /nfs/dbraw/zinc/22/55/19/1449225519.db2.gz VRIROMQEHMMTQN-UHFFFAOYSA-N 0 1 379.493 3.363 20 0 GGADMN c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826514220 1449243819 /nfs/dbraw/zinc/24/38/19/1449243819.db2.gz KXUOEIHLQFUBDR-UHFFFAOYSA-N 0 1 395.470 3.154 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000826351040 1449245252 /nfs/dbraw/zinc/24/52/52/1449245252.db2.gz VLTKBUPIKJGPMQ-QILLFSRXSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000826351040 1449245259 /nfs/dbraw/zinc/24/52/59/1449245259.db2.gz VLTKBUPIKJGPMQ-QILLFSRXSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000826351040 1449245264 /nfs/dbraw/zinc/24/52/64/1449245264.db2.gz VLTKBUPIKJGPMQ-QILLFSRXSA-N 0 1 395.898 3.238 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)[C@@H]2CCCC[C@H]12 ZINC000736277873 1449303671 /nfs/dbraw/zinc/30/36/71/1449303671.db2.gz ZKMBYDRQMCRBQJ-SUYBPPKGSA-N 0 1 388.903 3.359 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737842838 1449322384 /nfs/dbraw/zinc/32/23/84/1449322384.db2.gz DELQEWBTAINJLD-OAHLLOKOSA-N 0 1 386.843 3.279 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569658 1449326345 /nfs/dbraw/zinc/32/63/45/1449326345.db2.gz JKRZQASSVSQAQJ-CYBMUJFWSA-N 0 1 397.454 3.405 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209529 1449326358 /nfs/dbraw/zinc/32/63/58/1449326358.db2.gz AAXFTFSPNDPOHE-GXTWGEPZSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209529 1449326360 /nfs/dbraw/zinc/32/63/60/1449326360.db2.gz AAXFTFSPNDPOHE-GXTWGEPZSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825209529 1449326364 /nfs/dbraw/zinc/32/63/64/1449326364.db2.gz AAXFTFSPNDPOHE-GXTWGEPZSA-N 0 1 392.529 3.053 20 0 GGADMN c1ccc2c(c1)[nH+]cc(-c1nnn[n-]1)c2NCCCc1nc2c(s1)CCCC2 ZINC000823796996 1449329284 /nfs/dbraw/zinc/32/92/84/1449329284.db2.gz KKKXMGYFOKFDPS-UHFFFAOYSA-N 0 1 391.504 3.217 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826304669 1449351959 /nfs/dbraw/zinc/35/19/59/1449351959.db2.gz UFHNFTWMMHEFKH-QHCPKHFHSA-N 0 1 398.470 3.402 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824617326 1449369036 /nfs/dbraw/zinc/36/90/36/1449369036.db2.gz GQTFPQAXJQSVTA-HNNXBMFYSA-N 0 1 398.470 3.483 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000823821553 1449369317 /nfs/dbraw/zinc/36/93/17/1449369317.db2.gz WRLAWGCOFYSGTM-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000823821553 1449369322 /nfs/dbraw/zinc/36/93/22/1449369322.db2.gz WRLAWGCOFYSGTM-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000826202695 1449388495 /nfs/dbraw/zinc/38/84/95/1449388495.db2.gz IUJKTMMULOOLQP-UHFFFAOYSA-N 0 1 380.839 3.367 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000826518930 1449399398 /nfs/dbraw/zinc/39/93/98/1449399398.db2.gz CYBLGMJNBRKCFD-OALUTQOASA-N 0 1 375.476 3.392 20 0 GGADMN c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000826518930 1449399402 /nfs/dbraw/zinc/39/94/02/1449399402.db2.gz CYBLGMJNBRKCFD-OALUTQOASA-N 0 1 375.476 3.392 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000826518930 1449399405 /nfs/dbraw/zinc/39/94/05/1449399405.db2.gz CYBLGMJNBRKCFD-OALUTQOASA-N 0 1 375.476 3.392 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000737331603 1449415944 /nfs/dbraw/zinc/41/59/44/1449415944.db2.gz QAIMPWBIVDNOJZ-CQSZACIVSA-N 0 1 386.481 3.385 20 0 GGADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139095464 1449417913 /nfs/dbraw/zinc/41/79/13/1449417913.db2.gz WWPVZKZDWDGKER-VQTJNVASSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139095464 1449417914 /nfs/dbraw/zinc/41/79/14/1449417914.db2.gz WWPVZKZDWDGKER-VQTJNVASSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139095464 1449417915 /nfs/dbraw/zinc/41/79/15/1449417915.db2.gz WWPVZKZDWDGKER-VQTJNVASSA-N 0 1 391.475 3.178 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000823673314 1449427942 /nfs/dbraw/zinc/42/79/42/1449427942.db2.gz KQUUSCATGXJKHX-FUHWJXTLSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673314 1449427944 /nfs/dbraw/zinc/42/79/44/1449427944.db2.gz KQUUSCATGXJKHX-FUHWJXTLSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673314 1449427950 /nfs/dbraw/zinc/42/79/50/1449427950.db2.gz KQUUSCATGXJKHX-FUHWJXTLSA-N 0 1 385.443 3.467 20 0 GGADMN CN(c1ccccc1)C1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826010223 1449443510 /nfs/dbraw/zinc/44/35/10/1449443510.db2.gz DYCJHNLPKXSVAA-UHFFFAOYSA-N 0 1 389.507 3.246 20 0 GGADMN C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824599242 1449485555 /nfs/dbraw/zinc/48/55/55/1449485555.db2.gz MPVUMWGJUGEQEF-VIFPVBQESA-N 0 1 396.257 3.470 20 0 GGADMN COc1ccc([C@H]([NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000826189596 1449489155 /nfs/dbraw/zinc/48/91/55/1449489155.db2.gz ZDTTWVYPPBVZRD-HXUWFJFHSA-N 0 1 394.479 3.191 20 0 GGADMN Cc1cc(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822200917 1449512010 /nfs/dbraw/zinc/51/20/10/1449512010.db2.gz IPPFHJWJKUOONM-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824529861 1449570866 /nfs/dbraw/zinc/57/08/66/1449570866.db2.gz IFYCOVHGWZNNGS-ZDUSSCGKSA-N 0 1 398.898 3.379 20 0 GGADMN COc1cccc([C@@H]2[C@H](Nc3cccc(F)c3-c3nnn[n-]3)CC[N@H+]2C2CC2)c1 ZINC000826214973 1449581467 /nfs/dbraw/zinc/58/14/67/1449581467.db2.gz CBVWMQUXDXXPQH-UYAOXDASSA-N 0 1 394.454 3.404 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@H]1CCC[C@H]1O ZINC000825980716 1449597833 /nfs/dbraw/zinc/59/78/33/1449597833.db2.gz HQKYAIYUGGXDFP-TZIWHRDSSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCC[C@H]1O ZINC000825980716 1449597837 /nfs/dbraw/zinc/59/78/37/1449597837.db2.gz HQKYAIYUGGXDFP-TZIWHRDSSA-N 0 1 393.491 3.039 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H]1CCC[C@H]1O ZINC000825980716 1449597843 /nfs/dbraw/zinc/59/78/43/1449597843.db2.gz HQKYAIYUGGXDFP-TZIWHRDSSA-N 0 1 393.491 3.039 20 0 GGADMN Fc1ccccc1SCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826378631 1449602649 /nfs/dbraw/zinc/60/26/49/1449602649.db2.gz SWZRYPZKPBPLKR-QGZVFWFLSA-N 0 1 385.468 3.171 20 0 GGADMN c1ccc([C@H]([NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCOC2)cc1 ZINC000826520197 1449602681 /nfs/dbraw/zinc/60/26/81/1449602681.db2.gz CHPSHCBSNWGYCA-QUCCMNQESA-N 0 1 379.464 3.003 20 0 GGADMN Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc(C)c1F ZINC000822191473 1449602731 /nfs/dbraw/zinc/60/27/31/1449602731.db2.gz JQQOQMVGCWVFOU-OAHLLOKOSA-N 0 1 395.486 3.337 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000826170027 1449615377 /nfs/dbraw/zinc/61/53/77/1449615377.db2.gz MQAOZPBLZHSOGR-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN CCC[NH+](CCC)CCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736473515 1449674226 /nfs/dbraw/zinc/67/42/26/1449674226.db2.gz RHDGVESHQNCKNX-UHFFFAOYSA-N 0 1 390.536 3.057 20 0 GGADMN c1ccc(COC[C@@H]2CC[N@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000823788294 1449679817 /nfs/dbraw/zinc/67/98/17/1449679817.db2.gz XMIDZTWIRMQDHN-LJQANCHMSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(COC[C@@H]2CC[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000823788294 1449679822 /nfs/dbraw/zinc/67/98/22/1449679822.db2.gz XMIDZTWIRMQDHN-LJQANCHMSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(COC[C@@H]2CC[N@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000823788294 1449679828 /nfs/dbraw/zinc/67/98/28/1449679828.db2.gz XMIDZTWIRMQDHN-LJQANCHMSA-N 0 1 393.491 3.174 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000737434445 1449697940 /nfs/dbraw/zinc/69/79/40/1449697940.db2.gz JTJDLQAZRYJBEQ-CJNGLKHVSA-N 0 1 397.483 3.094 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCCC1 ZINC000821615973 1449699332 /nfs/dbraw/zinc/69/93/32/1449699332.db2.gz XDTVWMMOUIZXBA-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[N@H+](Cc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCCC1 ZINC000821615973 1449699335 /nfs/dbraw/zinc/69/93/35/1449699335.db2.gz XDTVWMMOUIZXBA-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCCC1 ZINC000821615973 1449699338 /nfs/dbraw/zinc/69/93/38/1449699338.db2.gz XDTVWMMOUIZXBA-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN CCCCOc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000736463980 1449711578 /nfs/dbraw/zinc/71/15/78/1449711578.db2.gz UMIGWCPIUNJTFL-UHFFFAOYSA-N 0 1 385.443 3.483 20 0 GGADMN CCOc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825654055 1449722259 /nfs/dbraw/zinc/72/22/59/1449722259.db2.gz NLPIINVUSLHRKV-LBPRGKRZSA-N 0 1 386.481 3.006 20 0 GGADMN CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820252581 1449725852 /nfs/dbraw/zinc/72/58/52/1449725852.db2.gz CCNJUEONYKAICQ-IERDGZPVSA-N 0 1 395.507 3.298 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccsc1 ZINC000736535865 1449768858 /nfs/dbraw/zinc/76/88/58/1449768858.db2.gz ZQNFEVJQGZVUQU-ZDUSSCGKSA-N 0 1 377.905 3.472 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)cc1-c1nnn[n-]1 ZINC000826194068 1449785753 /nfs/dbraw/zinc/78/57/53/1449785753.db2.gz ZLNGEBMTLHCUFB-LJQANCHMSA-N 0 1 379.464 3.227 20 0 GGADMN COc1ccc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)cc1-c1nnn[n-]1 ZINC000826194068 1449785759 /nfs/dbraw/zinc/78/57/59/1449785759.db2.gz ZLNGEBMTLHCUFB-LJQANCHMSA-N 0 1 379.464 3.227 20 0 GGADMN CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821188805 1449787471 /nfs/dbraw/zinc/78/74/71/1449787471.db2.gz CVGUWPAWVXOAOT-UHFFFAOYSA-N 0 1 394.479 3.039 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2 ZINC000824584999 1449791640 /nfs/dbraw/zinc/79/16/40/1449791640.db2.gz LICSWVTXASBGLU-OAHLLOKOSA-N 0 1 390.491 3.425 20 0 GGADMN CC(C)CC[NH+]1CCC(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000820076328 1449792037 /nfs/dbraw/zinc/79/20/37/1449792037.db2.gz GXYXISIRKLCZQX-UHFFFAOYSA-N 0 1 397.449 3.451 20 0 GGADMN CCC[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1OC ZINC000821095091 1449795078 /nfs/dbraw/zinc/79/50/78/1449795078.db2.gz XQHGGESWIORGKN-HNAYVOBHSA-N 0 1 381.480 3.382 20 0 GGADMN Cn1cc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c(-c2cc3ccccc3o2)n1 ZINC000737602602 1449818128 /nfs/dbraw/zinc/81/81/28/1449818128.db2.gz QYZDAQWXCXCQTO-UHFFFAOYSA-N 0 1 385.431 3.303 20 0 GGADMN C[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028517 1449818236 /nfs/dbraw/zinc/81/82/36/1449818236.db2.gz BMLGNBXJXSQJPA-ZYHUDNBSSA-N 0 1 397.842 3.112 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028517 1449818243 /nfs/dbraw/zinc/81/82/43/1449818243.db2.gz BMLGNBXJXSQJPA-ZYHUDNBSSA-N 0 1 397.842 3.112 20 0 GGADMN COc1ccc([C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[NH+]2CCCC2)cc1 ZINC000737075181 1449829656 /nfs/dbraw/zinc/82/96/56/1449829656.db2.gz LEOBWGHYKKDFQU-INIZCTEOSA-N 0 1 399.886 3.173 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)[nH+]1 ZINC000826274653 1449831679 /nfs/dbraw/zinc/83/16/79/1449831679.db2.gz YSZBNDVIJHFGFC-UHFFFAOYSA-N 0 1 392.442 3.168 20 0 GGADMN COc1cccc([C@H](C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)N2CCCC2)c1 ZINC000826214753 1449864809 /nfs/dbraw/zinc/86/48/09/1449864809.db2.gz WCFRMDMCGUQLMU-IERDGZPVSA-N 0 1 392.507 3.363 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825067975 1449873967 /nfs/dbraw/zinc/87/39/67/1449873967.db2.gz OEGQEOJALVLXIK-ZIAGYGMSSA-N 0 1 396.470 3.385 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028596 1449878343 /nfs/dbraw/zinc/87/83/43/1449878343.db2.gz DCPDFAUIQBVLIM-QZTJIDSGSA-N 0 1 386.862 3.194 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554547 1449882583 /nfs/dbraw/zinc/88/25/83/1449882583.db2.gz QHJMNWGTHNJYKJ-TZMCWYRMSA-N 0 1 383.475 3.165 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2C1 ZINC000824261559 1449887288 /nfs/dbraw/zinc/88/72/88/1449887288.db2.gz MTSNQVWYSOMDBI-UHFFFAOYSA-N 0 1 376.464 3.020 20 0 GGADMN Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737416294 1449893798 /nfs/dbraw/zinc/89/37/98/1449893798.db2.gz ZDCLWEKKASSTOA-INIZCTEOSA-N 0 1 390.491 3.131 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820561776 1449895211 /nfs/dbraw/zinc/89/52/11/1449895211.db2.gz AFYBDEJZKVPNPQ-JMGYQRAPSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561776 1449895215 /nfs/dbraw/zinc/89/52/15/1449895215.db2.gz AFYBDEJZKVPNPQ-JMGYQRAPSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561776 1449895218 /nfs/dbraw/zinc/89/52/18/1449895218.db2.gz AFYBDEJZKVPNPQ-JMGYQRAPSA-N 0 1 399.520 3.066 20 0 GGADMN Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737340417 1449906036 /nfs/dbraw/zinc/90/60/36/1449906036.db2.gz FQSDQMVAOWVNHT-LLVKDONJSA-N 0 1 390.900 3.349 20 0 GGADMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737340417 1449906039 /nfs/dbraw/zinc/90/60/39/1449906039.db2.gz FQSDQMVAOWVNHT-LLVKDONJSA-N 0 1 390.900 3.349 20 0 GGADMN Cc1cc(C)c([C@@H](C)[NH+]2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C)c1 ZINC000737246537 1449906299 /nfs/dbraw/zinc/90/62/99/1449906299.db2.gz LBMRMRLSAYRBMI-QGZVFWFLSA-N 0 1 377.496 3.070 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1sccc1-c1nnn[n-]1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773689 1449911452 /nfs/dbraw/zinc/91/14/52/1449911452.db2.gz XWQIFXAAVVGOOX-GOEBONIOSA-N 0 1 398.536 3.424 20 0 GGADMN CCN(CC)c1ncc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000825415443 1449926880 /nfs/dbraw/zinc/92/68/80/1449926880.db2.gz AGOQYQPXMHQUPL-UHFFFAOYSA-N 0 1 395.536 3.459 20 0 GGADMN CCN(CC)c1ncc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000825415443 1449926883 /nfs/dbraw/zinc/92/68/83/1449926883.db2.gz AGOQYQPXMHQUPL-UHFFFAOYSA-N 0 1 395.536 3.459 20 0 GGADMN C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577140 1449928369 /nfs/dbraw/zinc/92/83/69/1449928369.db2.gz HCBSSACUXGBGRG-OAHLLOKOSA-N 0 1 381.455 3.405 20 0 GGADMN COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCN2C2CC2)c1 ZINC000826215527 1449930241 /nfs/dbraw/zinc/93/02/41/1449930241.db2.gz RLKRKHSVJOPHRZ-MJGOQNOKSA-N 0 1 396.520 3.004 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292324 1449930210 /nfs/dbraw/zinc/93/02/10/1449930210.db2.gz JJWCHXJCKJXBOO-CBGDNZLLSA-N 0 1 393.491 3.486 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292324 1449930212 /nfs/dbraw/zinc/93/02/12/1449930212.db2.gz JJWCHXJCKJXBOO-CBGDNZLLSA-N 0 1 393.491 3.486 20 0 GGADMN CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000736328496 1449931965 /nfs/dbraw/zinc/93/19/65/1449931965.db2.gz XMHLYMPCDREAPO-ZDUSSCGKSA-N 0 1 385.443 3.482 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2cccs2)c1-c1nnn[n-]1 ZINC000826332278 1449943413 /nfs/dbraw/zinc/94/34/13/1449943413.db2.gz PEAVGUFPXKKSFZ-UHFFFAOYSA-N 0 1 379.493 3.097 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2cccs2)c1-c1nn[n-]n1 ZINC000826332278 1449943418 /nfs/dbraw/zinc/94/34/18/1449943418.db2.gz PEAVGUFPXKKSFZ-UHFFFAOYSA-N 0 1 379.493 3.097 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2cccs2)c1-c1nn[n-]n1 ZINC000826332278 1449943420 /nfs/dbraw/zinc/94/34/20/1449943420.db2.gz PEAVGUFPXKKSFZ-UHFFFAOYSA-N 0 1 379.493 3.097 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824192443 1449943804 /nfs/dbraw/zinc/94/38/04/1449943804.db2.gz JQPQKLGKJWORFR-IBGZPJMESA-N 0 1 393.470 3.353 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824192443 1449943807 /nfs/dbraw/zinc/94/38/07/1449943807.db2.gz JQPQKLGKJWORFR-IBGZPJMESA-N 0 1 393.470 3.353 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824192443 1449943811 /nfs/dbraw/zinc/94/38/11/1449943811.db2.gz JQPQKLGKJWORFR-IBGZPJMESA-N 0 1 393.470 3.353 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000826293560 1449952651 /nfs/dbraw/zinc/95/26/51/1449952651.db2.gz TYYDWRMUWQLLGU-OAHLLOKOSA-N 0 1 376.439 3.443 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627508 1449970900 /nfs/dbraw/zinc/97/09/00/1449970900.db2.gz YBMZELUGTJHJFA-AWEZNQCLSA-N 0 1 381.459 3.242 20 0 GGADMN Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822197471 1449974609 /nfs/dbraw/zinc/97/46/09/1449974609.db2.gz BYKBWZSWWUTOEP-IBGZPJMESA-N 0 1 395.511 3.004 20 0 GGADMN Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197471 1449974612 /nfs/dbraw/zinc/97/46/12/1449974612.db2.gz BYKBWZSWWUTOEP-IBGZPJMESA-N 0 1 395.511 3.004 20 0 GGADMN Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197471 1449974617 /nfs/dbraw/zinc/97/46/17/1449974617.db2.gz BYKBWZSWWUTOEP-IBGZPJMESA-N 0 1 395.511 3.004 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822356201 1449983056 /nfs/dbraw/zinc/98/30/56/1449983056.db2.gz NEAGCNONLQIJNV-KRWDZBQOSA-N 0 1 394.479 3.031 20 0 GGADMN CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821196581 1449991371 /nfs/dbraw/zinc/99/13/71/1449991371.db2.gz BCGLNRKMMODNOR-HNNXBMFYSA-N 0 1 378.480 3.200 20 0 GGADMN C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000735977289 1449992694 /nfs/dbraw/zinc/99/26/94/1449992694.db2.gz NKBIWEVDSQESSD-HNNXBMFYSA-N 0 1 396.520 3.107 20 0 GGADMN Cc1cc(C)cc([C@H](O)C[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822196607 1450008053 /nfs/dbraw/zinc/00/80/53/1450008053.db2.gz PUXNLUNHODWASM-OAQYLSRUSA-N 0 1 393.491 3.060 20 0 GGADMN Cc1cccn2c(C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)cnc12 ZINC000826307912 1450022092 /nfs/dbraw/zinc/02/20/92/1450022092.db2.gz BBHRGFUPIGWGAX-UHFFFAOYSA-N 0 1 375.480 3.481 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824606639 1450032401 /nfs/dbraw/zinc/03/24/01/1450032401.db2.gz QWUVZYVESNWUAK-LBPRGKRZSA-N 0 1 395.467 3.418 20 0 GGADMN C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000736127577 1450051659 /nfs/dbraw/zinc/05/16/59/1450051659.db2.gz RSWBTFIOBIXQIL-VFNWGFHPSA-N 0 1 398.470 3.411 20 0 GGADMN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820650575 1450059948 /nfs/dbraw/zinc/05/99/48/1450059948.db2.gz VWORVWLSZCVOKP-UPJWGTAASA-N 0 1 391.907 3.008 20 0 GGADMN O[C@@H](C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682429 1450068996 /nfs/dbraw/zinc/06/89/96/1450068996.db2.gz PZXMDLSKSAVTRQ-IBGZPJMESA-N 0 1 387.443 3.218 20 0 GGADMN COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826191727 1450075329 /nfs/dbraw/zinc/07/53/29/1450075329.db2.gz OJPKBTCKQBSQPP-IFXJQAMLSA-N 0 1 393.491 3.482 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000826168641 1450082538 /nfs/dbraw/zinc/08/25/38/1450082538.db2.gz UEVURDFSKZANOR-IBGZPJMESA-N 0 1 379.464 3.057 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000826168641 1450082539 /nfs/dbraw/zinc/08/25/39/1450082539.db2.gz UEVURDFSKZANOR-IBGZPJMESA-N 0 1 379.464 3.057 20 0 GGADMN COc1cc(C[NH+]2CCSCC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737045692 1450089106 /nfs/dbraw/zinc/08/91/06/1450089106.db2.gz LRLWNZQUVHTEBM-UHFFFAOYSA-N 0 1 397.504 3.003 20 0 GGADMN CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735595266 1450090800 /nfs/dbraw/zinc/09/08/00/1450090800.db2.gz FHGDJOGGDDBWJL-UONOGXRCSA-N 0 1 376.530 3.451 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCN(c2ccccn2)CC1 ZINC000821221521 1450095113 /nfs/dbraw/zinc/09/51/13/1450095113.db2.gz JPXLJTXMNKIXKV-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCN(c2ccccn2)CC1 ZINC000821221521 1450095119 /nfs/dbraw/zinc/09/51/19/1450095119.db2.gz JPXLJTXMNKIXKV-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCN(c2ccccn2)CC1 ZINC000821221521 1450095124 /nfs/dbraw/zinc/09/51/24/1450095124.db2.gz JPXLJTXMNKIXKV-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826211980 1450096320 /nfs/dbraw/zinc/09/63/20/1450096320.db2.gz CHVJWIFSDRAYDZ-LJQANCHMSA-N 0 1 389.463 3.032 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820656192 1450107271 /nfs/dbraw/zinc/10/72/71/1450107271.db2.gz DUKIVBJNASCKBB-HNAYVOBHSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820656192 1450107276 /nfs/dbraw/zinc/10/72/76/1450107276.db2.gz DUKIVBJNASCKBB-HNAYVOBHSA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820656192 1450107279 /nfs/dbraw/zinc/10/72/79/1450107279.db2.gz DUKIVBJNASCKBB-HNAYVOBHSA-N 0 1 391.479 3.041 20 0 GGADMN CC(=O)Nc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)cc1 ZINC000735484791 1450115179 /nfs/dbraw/zinc/11/51/79/1450115179.db2.gz OLANBPVPTPMQBJ-UHFFFAOYSA-N 0 1 387.447 3.024 20 0 GGADMN CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736214113 1450136517 /nfs/dbraw/zinc/13/65/17/1450136517.db2.gz NYBNTBZKPIRIJO-IBGZPJMESA-N 0 1 388.475 3.472 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000738143437 1450136564 /nfs/dbraw/zinc/13/65/64/1450136564.db2.gz CFXAWARSZVTEGM-UHFFFAOYSA-N 0 1 396.882 3.371 20 0 GGADMN OCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C(c1ccccc1)c1ccccc1 ZINC000826509760 1450158925 /nfs/dbraw/zinc/15/89/25/1450158925.db2.gz IUBPUAAETIUBLA-UHFFFAOYSA-N 0 1 389.459 3.434 20 0 GGADMN Cc1cc(C)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264720 1450163530 /nfs/dbraw/zinc/16/35/30/1450163530.db2.gz YBJGZWVALHSAKD-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569301 1450178662 /nfs/dbraw/zinc/17/86/62/1450178662.db2.gz GRNFJJCSWSQEAR-HWPZZCPQSA-N 0 1 395.360 3.409 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000824908146 1450186253 /nfs/dbraw/zinc/18/62/53/1450186253.db2.gz MSBVURLMIUJLAR-UXLLHSPISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000824908146 1450186259 /nfs/dbraw/zinc/18/62/59/1450186259.db2.gz MSBVURLMIUJLAR-UXLLHSPISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000824908146 1450186260 /nfs/dbraw/zinc/18/62/60/1450186260.db2.gz MSBVURLMIUJLAR-UXLLHSPISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824961880 1450203879 /nfs/dbraw/zinc/20/38/79/1450203879.db2.gz KHTNWJAWCJPXDR-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824961880 1450203885 /nfs/dbraw/zinc/20/38/85/1450203885.db2.gz KHTNWJAWCJPXDR-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824961880 1450203889 /nfs/dbraw/zinc/20/38/89/1450203889.db2.gz KHTNWJAWCJPXDR-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139095380 1450209110 /nfs/dbraw/zinc/20/91/10/1450209110.db2.gz VVVLEIGUTAVAKM-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139095380 1450209114 /nfs/dbraw/zinc/20/91/14/1450209114.db2.gz VVVLEIGUTAVAKM-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139095380 1450209119 /nfs/dbraw/zinc/20/91/19/1450209119.db2.gz VVVLEIGUTAVAKM-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CCO[C@H](C)c1nc(CN(C)c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cs1 ZINC000825577743 1450216878 /nfs/dbraw/zinc/21/68/78/1450216878.db2.gz ZMQYXVIPINKYMG-GFCCVEGCSA-N 0 1 399.524 3.331 20 0 GGADMN COc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000821813427 1450221287 /nfs/dbraw/zinc/22/12/87/1450221287.db2.gz GFQMMXKKQHAHBO-OAQYLSRUSA-N 0 1 393.491 3.449 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820722660 1450221684 /nfs/dbraw/zinc/22/16/84/1450221684.db2.gz LFFCXGQAZOSKOE-BFUOFWGJSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccc(F)c1 ZINC000820722660 1450221687 /nfs/dbraw/zinc/22/16/87/1450221687.db2.gz LFFCXGQAZOSKOE-BFUOFWGJSA-N 0 1 380.427 3.027 20 0 GGADMN CC[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(OC)cc1 ZINC000825149180 1450223724 /nfs/dbraw/zinc/22/37/24/1450223724.db2.gz WJCIDYSJIDGHSC-KRWDZBQOSA-N 0 1 391.435 3.166 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420145 1450225239 /nfs/dbraw/zinc/22/52/39/1450225239.db2.gz MZIQINMSRPWWLJ-CVEARBPZSA-N 0 1 382.537 3.491 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825140957 1450233729 /nfs/dbraw/zinc/23/37/29/1450233729.db2.gz LZLOVJRFTQPVCL-ZBEGNZNMSA-N 0 1 386.406 3.213 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000821650649 1450247774 /nfs/dbraw/zinc/24/77/74/1450247774.db2.gz WFFYRDGUPPGPHO-ZTNFWEORSA-N 0 1 391.475 3.267 20 0 GGADMN CCN(CC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000736536518 1450268386 /nfs/dbraw/zinc/26/83/86/1450268386.db2.gz KGDLKFNYJQBCKZ-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN CC[N@H+](CCNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000736536518 1450268390 /nfs/dbraw/zinc/26/83/90/1450268390.db2.gz KGDLKFNYJQBCKZ-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN CC[N@@H+](CCNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000736536518 1450268394 /nfs/dbraw/zinc/26/83/94/1450268394.db2.gz KGDLKFNYJQBCKZ-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN Cc1nc2ccccc2nc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826329296 1450278914 /nfs/dbraw/zinc/27/89/14/1450278914.db2.gz XPMHGBKOXUSTHJ-UHFFFAOYSA-N 0 1 383.459 3.408 20 0 GGADMN CC1CCC(=CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000736237920 1450303171 /nfs/dbraw/zinc/30/31/71/1450303171.db2.gz QNNQMJJBMJHPTG-UHFFFAOYSA-N 0 1 394.523 3.038 20 0 GGADMN CC1CCC(=CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736237920 1450303176 /nfs/dbraw/zinc/30/31/76/1450303176.db2.gz QNNQMJJBMJHPTG-UHFFFAOYSA-N 0 1 394.523 3.038 20 0 GGADMN CC1CCC(=CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736237920 1450303179 /nfs/dbraw/zinc/30/31/79/1450303179.db2.gz QNNQMJJBMJHPTG-UHFFFAOYSA-N 0 1 394.523 3.038 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413693 1450306346 /nfs/dbraw/zinc/30/63/46/1450306346.db2.gz UIROPUKYEKUESX-KBPBESRZSA-N 0 1 378.436 3.235 20 0 GGADMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139093353 1450314417 /nfs/dbraw/zinc/31/44/17/1450314417.db2.gz QHFSFDZQEBSQGL-OTWHNJEPSA-N 0 1 396.539 3.162 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000826173092 1450315057 /nfs/dbraw/zinc/31/50/57/1450315057.db2.gz MRDDWJGXFSQPDZ-UHFFFAOYSA-N 0 1 382.468 3.090 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCc1ccc(Br)s1 ZINC000822744454 1450321866 /nfs/dbraw/zinc/32/18/66/1450321866.db2.gz UHTXRMMBZVCAIP-UHFFFAOYSA-N 0 1 382.262 3.162 20 0 GGADMN c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826520885 1450322433 /nfs/dbraw/zinc/32/24/33/1450322433.db2.gz UEMOXSZNZLKVKU-UTKZUKDTSA-N 0 1 393.491 3.393 20 0 GGADMN COc1cc(Cl)ccc1CNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cccc12 ZINC000821719724 1450333673 /nfs/dbraw/zinc/33/36/73/1450333673.db2.gz IJPYMOGQBFTXCT-UHFFFAOYSA-N 0 1 380.839 3.419 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821449341 1450338915 /nfs/dbraw/zinc/33/89/15/1450338915.db2.gz SEELMWWRHZCLIB-CHWSQXEVSA-N 0 1 394.932 3.065 20 0 GGADMN COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)cc1 ZINC000821778179 1450338938 /nfs/dbraw/zinc/33/89/38/1450338938.db2.gz WGMVCRCJASEBID-HRAATJIYSA-N 0 1 392.507 3.363 20 0 GGADMN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820220421 1450343978 /nfs/dbraw/zinc/34/39/78/1450343978.db2.gz UNVGVCRQDSLXGD-AWEZNQCLSA-N 0 1 398.898 3.047 20 0 GGADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821222800 1450360084 /nfs/dbraw/zinc/36/00/84/1450360084.db2.gz ZTEHVZUFCKZGRF-UHFFFAOYSA-N 0 1 393.495 3.291 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@@H]1CCOC1 ZINC000825435040 1450372516 /nfs/dbraw/zinc/37/25/16/1450372516.db2.gz JPBLLDJNYXUMRT-IBGZPJMESA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCOC1 ZINC000825435040 1450372521 /nfs/dbraw/zinc/37/25/21/1450372521.db2.gz JPBLLDJNYXUMRT-IBGZPJMESA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@@H]1CCOC1 ZINC000825435040 1450372526 /nfs/dbraw/zinc/37/25/26/1450372526.db2.gz JPBLLDJNYXUMRT-IBGZPJMESA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000736537509 1450378721 /nfs/dbraw/zinc/37/87/21/1450378721.db2.gz VLHGPNFSPZYRLD-AWEZNQCLSA-N 0 1 385.443 3.476 20 0 GGADMN C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820360202 1450380031 /nfs/dbraw/zinc/38/00/31/1450380031.db2.gz XZHDFGVSPLSJEZ-MNNVXMFVSA-N 0 1 397.527 3.024 20 0 GGADMN Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000826282802 1450401953 /nfs/dbraw/zinc/40/19/53/1450401953.db2.gz CRJYCMGLIFTZKK-CQSZACIVSA-N 0 1 375.436 3.384 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736134370 1450405940 /nfs/dbraw/zinc/40/59/40/1450405940.db2.gz UHTOGMDGUYPTQV-BDJLRTHQSA-N 0 1 388.269 3.013 20 0 GGADMN COc1cccc([C@@H](CNc2cc(-c3nnn[n-]3)nc3ccccc32)[NH+](C)C)c1 ZINC000737126615 1450422385 /nfs/dbraw/zinc/42/23/85/1450422385.db2.gz NWVCXOSJQBIKFS-HXUWFJFHSA-N 0 1 389.463 3.138 20 0 GGADMN c1cnc2cc(C[NH2+]C3CCN(c4ccc(-c5nnn[n-]5)cc4)CC3)ccc2c1 ZINC000738445962 1450423733 /nfs/dbraw/zinc/42/37/33/1450423733.db2.gz PWEFAPRMOHHWIT-UHFFFAOYSA-N 0 1 385.475 3.174 20 0 GGADMN Cn1cc([C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C(C)(C)C)cn1 ZINC000826359738 1450424840 /nfs/dbraw/zinc/42/48/40/1450424840.db2.gz PERMNZXNDGLGSP-OAHLLOKOSA-N 0 1 391.426 3.079 20 0 GGADMN CN(C)c1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c2ccccc2n1 ZINC000821588254 1450438735 /nfs/dbraw/zinc/43/87/35/1450438735.db2.gz JGZBAXQDDMJSOZ-UHFFFAOYSA-N 0 1 396.458 3.063 20 0 GGADMN C[N@@H+](CCNc1ccc2cc(-c3nnn[n-]3)ccc2n1)Cc1ccc(F)cc1 ZINC000825941714 1450441568 /nfs/dbraw/zinc/44/15/68/1450441568.db2.gz OBBYOISDSSDUGK-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826299567 1450444662 /nfs/dbraw/zinc/44/46/62/1450444662.db2.gz LDFFGRLHWDWURZ-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN CSc1ccncc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826231623 1450454334 /nfs/dbraw/zinc/45/43/34/1450454334.db2.gz SKZQJFXJSOEGGV-UHFFFAOYSA-N 0 1 381.509 3.060 20 0 GGADMN c1csc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000738412105 1450456297 /nfs/dbraw/zinc/45/62/97/1450456297.db2.gz ACFVOKAOMXWGQT-UHFFFAOYSA-N 0 1 378.461 3.192 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccccc2NCc2cc(-c3nnn[n-]3)cs2)C[C@@H](C)O1 ZINC000820760934 1450471697 /nfs/dbraw/zinc/47/16/97/1450471697.db2.gz TZUCGAVCZZRSBB-ZIAGYGMSSA-N 0 1 384.509 3.150 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000736901363 1450479928 /nfs/dbraw/zinc/47/99/28/1450479928.db2.gz JZBZNPTZOMWYRR-YLJYHZDGSA-N 0 1 391.475 3.036 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000736901363 1450479932 /nfs/dbraw/zinc/47/99/32/1450479932.db2.gz JZBZNPTZOMWYRR-YLJYHZDGSA-N 0 1 391.475 3.036 20 0 GGADMN COCC[N@@H+](CC=Cc1ccccc1OC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826157965 1450480986 /nfs/dbraw/zinc/48/09/86/1450480986.db2.gz UBSUGAPTVTZEKC-FNORWQNLSA-N 0 1 379.464 3.037 20 0 GGADMN C[C@H]1CCC[C@H](C)[NH+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736254580 1450492925 /nfs/dbraw/zinc/49/29/25/1450492925.db2.gz ZSVQMKKTHAONJR-RYUDHWBXSA-N 0 1 387.438 3.368 20 0 GGADMN Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826290924 1450493112 /nfs/dbraw/zinc/49/31/12/1450493112.db2.gz HIOKBCOQMNEMPS-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824605147 1450497147 /nfs/dbraw/zinc/49/71/47/1450497147.db2.gz FURMZKKDCQQAKN-CRAIPNDOSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824605147 1450497149 /nfs/dbraw/zinc/49/71/49/1450497149.db2.gz FURMZKKDCQQAKN-CRAIPNDOSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824605147 1450497152 /nfs/dbraw/zinc/49/71/52/1450497152.db2.gz FURMZKKDCQQAKN-CRAIPNDOSA-N 0 1 380.471 3.006 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000823820162 1450514474 /nfs/dbraw/zinc/51/44/74/1450514474.db2.gz BDIXYVVGFPRTKZ-UHFFFAOYSA-N 0 1 392.301 3.022 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000823820162 1450514476 /nfs/dbraw/zinc/51/44/76/1450514476.db2.gz BDIXYVVGFPRTKZ-UHFFFAOYSA-N 0 1 392.301 3.022 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000823820162 1450514478 /nfs/dbraw/zinc/51/44/78/1450514478.db2.gz BDIXYVVGFPRTKZ-UHFFFAOYSA-N 0 1 392.301 3.022 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736446586 1450523241 /nfs/dbraw/zinc/52/32/41/1450523241.db2.gz JMBCVTBOJAHJRU-VQIMIIECSA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446586 1450523244 /nfs/dbraw/zinc/52/32/44/1450523244.db2.gz JMBCVTBOJAHJRU-VQIMIIECSA-N 0 1 384.528 3.336 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736446586 1450523246 /nfs/dbraw/zinc/52/32/46/1450523246.db2.gz JMBCVTBOJAHJRU-VQIMIIECSA-N 0 1 384.528 3.336 20 0 GGADMN C[C@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@@H](C)CN1C ZINC001164634943 719166367 /nfs/dbraw/zinc/16/63/67/719166367.db2.gz KKNBWIWYCNJTIA-HOTGVXAUSA-N 0 1 385.943 3.217 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2CCCO[C@H]2[C@@H](N2CCCC2=O)C1 ZINC001164646008 719306013 /nfs/dbraw/zinc/30/60/13/719306013.db2.gz ATGGPPPHIKDICC-URLQWDBASA-N 0 1 377.916 3.072 20 0 GGADMN CC(C)CN1CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001164653079 719331468 /nfs/dbraw/zinc/33/14/68/719331468.db2.gz PJGCYTPLPQAMGG-UHFFFAOYSA-N 0 1 385.943 3.424 20 0 GGADMN CCOC(=O)c1ccc(C(F)(F)N2CCN(CC(C)C)CC2)c(Cl)n1 ZINC001164657644 719336769 /nfs/dbraw/zinc/33/67/69/719336769.db2.gz WDTCCNSMMMMZEY-UHFFFAOYSA-N 0 1 375.847 3.235 20 0 GGADMN Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@H]4OCCN(C)[C@@H]4C3)c2c1 ZINC001164666853 719403332 /nfs/dbraw/zinc/40/33/32/719403332.db2.gz LWJYEPDPJSCRDY-WOJBJXKFSA-N 0 1 378.451 3.264 20 0 GGADMN CN1CCO[C@H]2CN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C[C@H]21 ZINC001164674833 719436560 /nfs/dbraw/zinc/43/65/60/719436560.db2.gz XPYTZCBQNFOHIB-MOPGFXCFSA-N 0 1 382.414 3.094 20 0 GGADMN COc1ccc2c(c1)nc(N1C[C@@H]3[C@H](C1)OCCN3C)cc2-c1ccccc1 ZINC001164667091 719440972 /nfs/dbraw/zinc/44/09/72/719440972.db2.gz FJGUZVKDPWTBRS-YADHBBJMSA-N 0 1 375.472 3.430 20 0 GGADMN CN1CCO[C@@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@H]21 ZINC001164669412 719458956 /nfs/dbraw/zinc/45/89/56/719458956.db2.gz UMDCTIGTXLFZBK-QZTJIDSGSA-N 0 1 378.501 3.391 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001164678114 719546216 /nfs/dbraw/zinc/54/62/16/719546216.db2.gz JFHNHESJNRSGKC-DJIMGWMZSA-N 0 1 377.916 3.072 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2nccc(N4CCCC4)n2)CC3)cs1 ZINC001164692233 719802716 /nfs/dbraw/zinc/80/27/16/719802716.db2.gz LVKQGARDKGCGSQ-UHFFFAOYSA-N 0 1 398.580 3.477 20 0 GGADMN COc1cc(OC)nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164692037 719808508 /nfs/dbraw/zinc/80/85/08/719808508.db2.gz FGQRJXIPUNTHOZ-UHFFFAOYSA-N 0 1 388.537 3.499 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ncc4cccnc4n2)CC3)cs1 ZINC001164692574 719809966 /nfs/dbraw/zinc/80/99/66/719809966.db2.gz JTEKCGWKLCQWEU-UHFFFAOYSA-N 0 1 380.521 3.425 20 0 GGADMN Cc1nc2nc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)ncc2[nH]1 ZINC001164693629 719811789 /nfs/dbraw/zinc/81/17/89/719811789.db2.gz XCTUCCLIHNGHDF-UHFFFAOYSA-N 0 1 383.525 3.013 20 0 GGADMN CSc1nc(C)cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164698920 719886253 /nfs/dbraw/zinc/88/62/53/719886253.db2.gz FWIVRGHROZZWNE-UHFFFAOYSA-N 0 1 390.578 3.440 20 0 GGADMN Cc1nc2ccoc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164702155 719886381 /nfs/dbraw/zinc/88/63/81/719886381.db2.gz ONCDHUMPDQOFBR-UHFFFAOYSA-N 0 1 384.505 3.464 20 0 GGADMN Cc1nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ncc1Cl ZINC001164694937 719889086 /nfs/dbraw/zinc/88/90/86/719889086.db2.gz HUZWWJUMMOPOLY-UHFFFAOYSA-N 0 1 378.929 3.371 20 0 GGADMN COc1cnnc(Cl)c1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694857 719892156 /nfs/dbraw/zinc/89/21/56/719892156.db2.gz FNUJGVVFMDESNB-UHFFFAOYSA-N 0 1 394.928 3.072 20 0 GGADMN Nc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(Cl)c1 ZINC001164697556 719892909 /nfs/dbraw/zinc/89/29/09/719892909.db2.gz KXNKAGPZUDXTJK-UHFFFAOYSA-N 0 1 378.929 3.250 20 0 GGADMN Cc1cc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2[nH]1 ZINC001164698454 719894823 /nfs/dbraw/zinc/89/48/23/719894823.db2.gz UBQQWUCYFKEWGN-UHFFFAOYSA-N 0 1 383.521 3.199 20 0 GGADMN c1csc(CN2CCOC3(CCN(c4cc(-c5ncc[nH]5)ccn4)CC3)C2)c1 ZINC001164698978 719896370 /nfs/dbraw/zinc/89/63/70/719896370.db2.gz VCCSCCPGOCIBHS-UHFFFAOYSA-N 0 1 395.532 3.405 20 0 GGADMN Clc1nc2c(c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n1)CSCC2 ZINC001164727757 720345496 /nfs/dbraw/zinc/34/54/96/720345496.db2.gz UKVRXAARKWYRCP-SJORKVTESA-N 0 1 387.940 3.168 20 0 GGADMN CC(C)(C)OC(=O)Nc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)ncn1 ZINC001164727307 720349598 /nfs/dbraw/zinc/34/95/98/720349598.db2.gz STBCSQRENWLFGV-IRXDYDNUSA-N 0 1 396.495 3.072 20 0 GGADMN CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ncn1 ZINC001164727309 720350284 /nfs/dbraw/zinc/35/02/84/720350284.db2.gz STBCSQRENWLFGV-SJORKVTESA-N 0 1 396.495 3.072 20 0 GGADMN CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722674 720360996 /nfs/dbraw/zinc/36/09/96/720360996.db2.gz GHQRVYSQQZGCOJ-HZPDHXFCSA-N 0 1 385.899 3.144 20 0 GGADMN Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722947 720366388 /nfs/dbraw/zinc/36/63/88/720366388.db2.gz DVKBTZBQHPMQEI-QZTJIDSGSA-N 0 1 392.894 3.440 20 0 GGADMN c1ccc(COc2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164727753 720381910 /nfs/dbraw/zinc/38/19/10/720381910.db2.gz RIOXPQUTZFYOFG-LEWJYISDSA-N 0 1 387.487 3.304 20 0 GGADMN c1ccc(COc2cnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)cn2)cc1 ZINC001164726921 720416174 /nfs/dbraw/zinc/41/61/74/720416174.db2.gz CGQYRAGKOAHXMT-NHCUHLMSSA-N 0 1 387.487 3.304 20 0 GGADMN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2cncc(OCC3CCCC3)n2)c1 ZINC001164730275 720475788 /nfs/dbraw/zinc/47/57/88/720475788.db2.gz UBRAYIVVNMMQOE-WOJBJXKFSA-N 0 1 379.508 3.294 20 0 GGADMN CCCSc1ncnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1OC ZINC001164731782 720481791 /nfs/dbraw/zinc/48/17/91/720481791.db2.gz XSLBRXXAKRKYJV-SJORKVTESA-N 0 1 385.537 3.236 20 0 GGADMN FC(F)(c1cccc(Cl)n1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164733527 720549797 /nfs/dbraw/zinc/54/97/97/720549797.db2.gz OOHMUZZFNHLTBO-UHFFFAOYSA-N 0 1 381.858 3.135 20 0 GGADMN Cc1cc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)cc(Cl)n1 ZINC001164733400 720551494 /nfs/dbraw/zinc/55/14/94/720551494.db2.gz MSBFEODKAWGYEE-UHFFFAOYSA-N 0 1 395.885 3.443 20 0 GGADMN Clc1cccc2c1ncnc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164734124 720553953 /nfs/dbraw/zinc/55/39/53/720553953.db2.gz VNFLFHCGUDGNJF-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Clc1nnc(N2CCc3ncc(CN4CCCC4)n3CC2)c2sccc21 ZINC001164733697 720555451 /nfs/dbraw/zinc/55/54/51/720555451.db2.gz PMCAPHLVHIPUKO-UHFFFAOYSA-N 0 1 388.928 3.200 20 0 GGADMN FC(F)(Oc1ccc(Cl)nc1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164732678 720558094 /nfs/dbraw/zinc/55/80/94/720558094.db2.gz CZDHERQCTXQETF-UHFFFAOYSA-N 0 1 397.857 3.015 20 0 GGADMN Cc1ccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)c(Cl)nc2c1 ZINC001164728817 720560677 /nfs/dbraw/zinc/56/06/77/720560677.db2.gz MOEBVQCLIRIRCS-UHFFFAOYSA-N 0 1 396.926 3.447 20 0 GGADMN CCc1cc2c(ncnc2N2CCc3ncc(CN4CCCC4)n3CC2)s1 ZINC001164728137 720563464 /nfs/dbraw/zinc/56/34/64/720563464.db2.gz KFHRSZQKIXJHBA-UHFFFAOYSA-N 0 1 382.537 3.109 20 0 GGADMN Cc1nc2cc(Cl)ccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164728863 720566096 /nfs/dbraw/zinc/56/60/96/720566096.db2.gz OBSSOBNWYBHHPD-UHFFFAOYSA-N 0 1 396.926 3.447 20 0 GGADMN CSc1nc2ccccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164730513 720567757 /nfs/dbraw/zinc/56/77/57/720567757.db2.gz XHFDACFVPOAUBS-UHFFFAOYSA-N 0 1 394.548 3.207 20 0 GGADMN Clc1ccc2cnc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2c1 ZINC001164727299 720569793 /nfs/dbraw/zinc/56/97/93/720569793.db2.gz DBQPLUVNTSSPDH-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN c1csc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)c1 ZINC001164727858 720572620 /nfs/dbraw/zinc/57/26/20/720572620.db2.gz FWWQXUQNGBJUJV-UHFFFAOYSA-N 0 1 380.521 3.060 20 0 GGADMN Cc1cc2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2cc1C ZINC001164736503 720590945 /nfs/dbraw/zinc/59/09/45/720590945.db2.gz MFVOSSLUQLBWQR-UHFFFAOYSA-N 0 1 376.508 3.102 20 0 GGADMN CC[C@H](C)c1nc2[nH]ccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164743712 720597948 /nfs/dbraw/zinc/59/79/48/720597948.db2.gz QIUPAIHNEWVQJE-INIZCTEOSA-N 0 1 393.539 3.326 20 0 GGADMN Clc1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740095 720671233 /nfs/dbraw/zinc/67/12/33/720671233.db2.gz PXXWPXXZBNECIY-HOTGVXAUSA-N 0 1 381.867 3.020 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncn1)[C@@H]2C ZINC001164854607 720916212 /nfs/dbraw/zinc/91/62/12/720916212.db2.gz GBVIYFDVZYULHU-GFCCVEGCSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncn1)[C@H]2C ZINC001164854610 720916611 /nfs/dbraw/zinc/91/66/11/720916611.db2.gz GBVIYFDVZYULHU-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3[nH]cc(F)c31)[C@H]2C ZINC001164860480 720923352 /nfs/dbraw/zinc/92/33/52/720923352.db2.gz RVBXAMBLKBSTAH-NSHDSACASA-N 0 1 391.882 3.368 20 0 GGADMN COC(=O)c1cc(Cl)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164853427 720928239 /nfs/dbraw/zinc/92/82/39/720928239.db2.gz AJVRZPHFYIAGQS-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(Cl)c3ccncc31)[C@H]2C ZINC001164860731 720931415 /nfs/dbraw/zinc/93/14/15/720931415.db2.gz SOFMOCPSRNIEPT-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(Cl)c3ccncc31)[C@@H]2C ZINC001164860721 720931924 /nfs/dbraw/zinc/93/19/24/720931924.db2.gz SOFMOCPSRNIEPT-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN COc1cccc2c1ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164859808 720935975 /nfs/dbraw/zinc/93/59/75/720935975.db2.gz NPELEKHRSUQLGA-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@H](F)Oc1ccnc(Cl)c1)[C@@H]2C ZINC001164859152 720944199 /nfs/dbraw/zinc/94/41/99/720944199.db2.gz KQYVBGSMIRNAMG-ACJLOTCBSA-N 0 1 381.883 3.480 20 0 GGADMN COc1ccc2cnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc2c1 ZINC001164858690 720947402 /nfs/dbraw/zinc/94/74/02/720947402.db2.gz KBCFICRGLNEMFB-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ncccc3nc1Cl)[C@@H]2C ZINC001164860727 720957564 /nfs/dbraw/zinc/95/75/64/720957564.db2.gz RMVKEGATQVCPRT-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnnc(Cl)c1)[C@@H]2C ZINC001164858450 720962742 /nfs/dbraw/zinc/96/27/42/720962742.db2.gz IWOYIAQEHUULQR-GFCCVEGCSA-N 0 1 384.862 3.293 20 0 GGADMN CCOc1c(Cl)ncnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859768 720969977 /nfs/dbraw/zinc/96/99/77/720969977.db2.gz MMLKOMHOAXOCEB-CYBMUJFWSA-N 0 1 378.908 3.147 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(C(=O)NC(C)(C)C)ccn1)[C@@H]2C ZINC001164864114 720981984 /nfs/dbraw/zinc/98/19/84/720981984.db2.gz XNBGWSREPBLTDZ-MRXNPFEDSA-N 0 1 398.555 3.228 20 0 GGADMN CCOC(=O)c1c(C)ccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164856327 720982020 /nfs/dbraw/zinc/98/20/20/720982020.db2.gz BLARBUJJXLUPJR-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN CSc1cnc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164857260 720992480 /nfs/dbraw/zinc/99/24/80/720992480.db2.gz FLVBGJXCQKXKOO-GFCCVEGCSA-N 0 1 380.949 3.470 20 0 GGADMN CCOCc1cnc(Cl)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164857230 720993970 /nfs/dbraw/zinc/99/39/70/720993970.db2.gz DUHMVLMRGUORPU-AWEZNQCLSA-N 0 1 392.935 3.284 20 0 GGADMN COc1nnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c2ccccc21 ZINC001164862320 721001292 /nfs/dbraw/zinc/00/12/92/721001292.db2.gz RYFDPXUYGNLBMW-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc(-c3cccc(F)c3)n1)[C@H]2C ZINC001164856690 721009473 /nfs/dbraw/zinc/00/94/73/721009473.db2.gz BJHHNNXSYMCZRP-HNNXBMFYSA-N 0 1 395.486 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccccn3)nn1)[C@@H]2C ZINC001164857293 721009902 /nfs/dbraw/zinc/00/99/02/721009902.db2.gz CHPDEVPQLKMJLC-MRXNPFEDSA-N 0 1 377.496 3.157 20 0 GGADMN Cc1nc(-c2ccncc2)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164859479 721010431 /nfs/dbraw/zinc/01/04/31/721010431.db2.gz INFUZQFIUBPOGX-MRXNPFEDSA-N 0 1 391.523 3.465 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)[C@@H]2C ZINC001164859620 721022170 /nfs/dbraw/zinc/02/21/70/721022170.db2.gz KFTRYDOSHNIJSQ-CYBMUJFWSA-N 0 1 399.873 3.136 20 0 GGADMN FC(F)(c1ccnc(Cl)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867076 721047103 /nfs/dbraw/zinc/04/71/03/721047103.db2.gz HNIKPVIZRCNXOL-IAGOWNOFSA-N 0 1 394.853 3.155 20 0 GGADMN Clc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164868433 721047643 /nfs/dbraw/zinc/04/76/43/721047643.db2.gz OKHIFPYDXKOFSG-HOTGVXAUSA-N 0 1 379.291 3.263 20 0 GGADMN CSc1cc(Cl)ncc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865603 721076644 /nfs/dbraw/zinc/07/66/44/721076644.db2.gz NKIJKGIGAJPTJV-HOTGVXAUSA-N 0 1 390.940 3.332 20 0 GGADMN CSc1cc(Cl)ncc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865602 721076926 /nfs/dbraw/zinc/07/69/26/721076926.db2.gz NKIJKGIGAJPTJV-CVEARBPZSA-N 0 1 390.940 3.332 20 0 GGADMN Cc1ccc2nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nc2c1 ZINC001164765577 721117899 /nfs/dbraw/zinc/11/78/99/721117899.db2.gz JIUMMBLGWSTNCD-IAGOWNOFSA-N 0 1 396.926 3.283 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(F)c4)C[C@H]3C2)cn1 ZINC001164772721 721119899 /nfs/dbraw/zinc/11/98/99/721119899.db2.gz VRNAXDJVMPFEBR-ZIAGYGMSSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4nc(Cl)ccc4F)C[C@@H]3C2)cn1 ZINC001164766463 721126462 /nfs/dbraw/zinc/12/64/62/721126462.db2.gz LOJIILPLWYQFEL-KGLIPLIRSA-N 0 1 399.848 3.111 20 0 GGADMN Cc1ccc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164765064 721141921 /nfs/dbraw/zinc/14/19/21/721141921.db2.gz ITELURUQAMWQKQ-JKSUJKDBSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164765058 721141960 /nfs/dbraw/zinc/14/19/60/721141960.db2.gz ITELURUQAMWQKQ-HZPDHXFCSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164769958 721151038 /nfs/dbraw/zinc/15/10/38/721151038.db2.gz QQTARBMDZPSEFF-HZPDHXFCSA-N 0 1 395.885 3.280 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)cc(C(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164773871 721180550 /nfs/dbraw/zinc/18/05/50/721180550.db2.gz XQQKFZKQFGZUER-HOTGVXAUSA-N 0 1 388.947 3.119 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)cc(C(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164773873 721181846 /nfs/dbraw/zinc/18/18/46/721181846.db2.gz XQQKFZKQFGZUER-JKSUJKDBSA-N 0 1 388.947 3.119 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(c4ncc(F)c(-c5ccsc5)n4)C[C@@H]3C2)cn1 ZINC001164767122 721239056 /nfs/dbraw/zinc/23/90/56/721239056.db2.gz VTFRRHASNFJVRC-RDJZCZTQSA-N 0 1 398.511 3.036 20 0 GGADMN CCc1nc(Cl)nc(Cl)c1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164760156 721240236 /nfs/dbraw/zinc/24/02/36/721240236.db2.gz CPYVEHBGZLFGSX-KGLIPLIRSA-N 0 1 395.338 3.038 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(F)c(C)n3)C2)C1 ZINC001164778597 721330532 /nfs/dbraw/zinc/33/05/32/721330532.db2.gz XPNDZLSXJIQYRR-NRFANRHFSA-N 0 1 388.487 3.253 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(C)c(F)cn3)C2)C1 ZINC001164778180 721340749 /nfs/dbraw/zinc/34/07/49/721340749.db2.gz KAQRXCZURLTHEI-NRFANRHFSA-N 0 1 388.487 3.253 20 0 GGADMN C=Cc1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164787137 721360044 /nfs/dbraw/zinc/36/00/44/721360044.db2.gz ZHZMNNCJGLSKRK-JOCHJYFZSA-N 0 1 382.508 3.448 20 0 GGADMN Cc1cccc2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc12 ZINC001164885008 721380135 /nfs/dbraw/zinc/38/01/35/721380135.db2.gz BMMMBKWDBJODRP-ZJSXRUAMSA-N 0 1 394.563 3.309 20 0 GGADMN Cc1cccc2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc12 ZINC001164885005 721380168 /nfs/dbraw/zinc/38/01/68/721380168.db2.gz BMMMBKWDBJODRP-QPPBQGQZSA-N 0 1 394.563 3.309 20 0 GGADMN Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)ccc2c1 ZINC001164889281 721380825 /nfs/dbraw/zinc/38/08/25/721380825.db2.gz LLKZZTCEWSIEBM-QPPBQGQZSA-N 0 1 394.563 3.309 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccccc5n4)C3)O2)CC1 ZINC001164888583 721381566 /nfs/dbraw/zinc/38/15/66/721381566.db2.gz KFLJHNJVDAOLMN-NFBKMPQASA-N 0 1 380.536 3.000 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890893 721382560 /nfs/dbraw/zinc/38/25/60/721382560.db2.gz OXQHDYUMEQZLFP-LPHOPBHVSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5ccsc54)C3)O2)CC1 ZINC001164888304 721400419 /nfs/dbraw/zinc/40/04/19/721400419.db2.gz NZDJKKLVFDZFQJ-NQIIRXRSSA-N 0 1 386.565 3.062 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4Cl)C3)O2)CC1 ZINC001164891417 721401892 /nfs/dbraw/zinc/40/18/92/721401892.db2.gz WAOFZFJCSNLWED-DNVCBOLYSA-N 0 1 399.366 3.154 20 0 GGADMN Cc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1C ZINC001164889429 721416356 /nfs/dbraw/zinc/41/63/56/721416356.db2.gz QLLYRDIQLRYWIE-NQIIRXRSSA-N 0 1 392.975 3.117 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5cccc(F)c5n4)C3)O2)CC1 ZINC001164896187 721427723 /nfs/dbraw/zinc/42/77/23/721427723.db2.gz QWBOGJPEOOTZFK-XXBNENTESA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5ccc(F)cc5cn4)C3)O2)CC1 ZINC001164899870 721439003 /nfs/dbraw/zinc/43/90/03/721439003.db2.gz ZLEBXIHXNRGXBU-GGAORHGYSA-N 0 1 398.526 3.139 20 0 GGADMN CCc1cc2c(ccnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)o1 ZINC001164888017 721450615 /nfs/dbraw/zinc/45/06/15/721450615.db2.gz LMEYANQMUAXLSJ-WMZHIEFXSA-N 0 1 398.551 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccnc(Cl)n4)CCN3C2)c1 ZINC001164897027 721507620 /nfs/dbraw/zinc/50/76/20/721507620.db2.gz DJSGSXSYDPHURE-ZFWWWQNUSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)ncn4)CCN3C2)c1 ZINC001164898030 721508187 /nfs/dbraw/zinc/50/81/87/721508187.db2.gz HBTGIZCAMXXKAE-DZGCQCFKSA-N 0 1 398.816 3.156 20 0 GGADMN CSc1ncc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164898549 721519117 /nfs/dbraw/zinc/51/91/17/721519117.db2.gz IPMLJFCEWXISBS-HIFRSBDPSA-N 0 1 394.903 3.333 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)cnc4Cl)CCN3C2)c1 ZINC001164907303 721530297 /nfs/dbraw/zinc/53/02/97/721530297.db2.gz MWKQRMVGDGBRMC-OCCSQVGLSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cnc4Cl)CCN3C2)c1 ZINC001164907305 721530643 /nfs/dbraw/zinc/53/06/43/721530643.db2.gz MWKQRMVGDGBRMC-TZMCWYRMSA-N 0 1 383.254 3.264 20 0 GGADMN CSc1nc(Cl)ncc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906832 721533650 /nfs/dbraw/zinc/53/36/50/721533650.db2.gz LMYDPBWPXHJJLO-DZGCQCFKSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1nc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164903367 721535401 /nfs/dbraw/zinc/53/54/01/721535401.db2.gz CFPLECWIWGRLBX-DOTOQJQBSA-N 0 1 376.863 3.228 20 0 GGADMN Cc1c[nH]c2nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ccc12 ZINC001164807812 721543428 /nfs/dbraw/zinc/54/34/28/721543428.db2.gz RJZJPDLPPBKIFI-ZJOUEHCJSA-N 0 1 377.492 3.135 20 0 GGADMN COc1cc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164808439 721544762 /nfs/dbraw/zinc/54/47/62/721544762.db2.gz SIALKBDGODQNOT-RIFZZMRRSA-N 0 1 388.899 3.007 20 0 GGADMN COc1cc(Cl)ncc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164808437 721545130 /nfs/dbraw/zinc/54/51/30/721545130.db2.gz SIALKBDGODQNOT-KNBMTAEXSA-N 0 1 388.899 3.007 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cncc(Cl)n4)CCN3C2)c1 ZINC001164909787 721546858 /nfs/dbraw/zinc/54/68/58/721546858.db2.gz RWQROHNZMFFVGC-UKRRQHHQSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cncc(Cl)n4)CCN3C2)c1 ZINC001164909789 721547174 /nfs/dbraw/zinc/54/71/74/721547174.db2.gz RWQROHNZMFFVGC-ZFWWWQNUSA-N 0 1 398.816 3.156 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCCC3)[C@@H]2CCCO[C@H]12 ZINC001164811145 721547627 /nfs/dbraw/zinc/54/76/27/721547627.db2.gz YVGYBTPHVDQMLH-XPNTWCBSSA-N 0 1 378.520 3.224 20 0 GGADMN Cc1nc(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164805246 721548171 /nfs/dbraw/zinc/54/81/71/721548171.db2.gz LJQKSUXYQKCPAG-ZIFCJYIRSA-N 0 1 387.915 3.010 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c(F)cccc32)[C@H]2CCCO[C@H]12 ZINC001164806628 721548931 /nfs/dbraw/zinc/54/89/31/721548931.db2.gz PJIMBAKPGSMUCE-ZVDOUQERSA-N 0 1 393.466 3.032 20 0 GGADMN COc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164799912 721548965 /nfs/dbraw/zinc/54/89/65/721548965.db2.gz BZFXGZBSSHJAMA-ABSDTBQOSA-N 0 1 388.899 3.007 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nccnc4Cl)CCN3C2)c1 ZINC001164909827 721549053 /nfs/dbraw/zinc/54/90/53/721549053.db2.gz SAFSVLVIDWXAOM-UKRRQHHQSA-N 0 1 398.816 3.156 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2F)[C@@H]2CCCO[C@H]12 ZINC001164809006 721550946 /nfs/dbraw/zinc/55/09/46/721550946.db2.gz TXXMYFKMQLWFQA-SUMDDJOVSA-N 0 1 376.863 3.137 20 0 GGADMN Cc1cccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12 ZINC001164803149 721557375 /nfs/dbraw/zinc/55/73/75/721557375.db2.gz JQDOLKOHIBLIGS-JAXLGGSGSA-N 0 1 389.503 3.201 20 0 GGADMN CC(C)Oc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805765 721560914 /nfs/dbraw/zinc/56/09/14/721560914.db2.gz ORYDTMMBFZDRQS-DXIQSLLYSA-N 0 1 382.508 3.132 20 0 GGADMN CCc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)nc1C ZINC001164904250 721566896 /nfs/dbraw/zinc/56/68/96/721566896.db2.gz DPNZAEHUELYQQA-NVXWUHKLSA-N 0 1 390.890 3.482 20 0 GGADMN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1Cl ZINC001164808803 721569667 /nfs/dbraw/zinc/56/96/67/721569667.db2.gz VQEXTJIAWACHMA-LNLFQRSKSA-N 0 1 388.899 3.007 20 0 GGADMN CSc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(C)c1 ZINC001164798555 721573749 /nfs/dbraw/zinc/57/37/49/721573749.db2.gz BJYFQENSSNLBOW-HSALFYBXSA-N 0 1 384.549 3.375 20 0 GGADMN CSc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C)c1 ZINC001164798552 721573815 /nfs/dbraw/zinc/57/38/15/721573815.db2.gz BJYFQENSSNLBOW-AABGKKOBSA-N 0 1 384.549 3.375 20 0 GGADMN Cc1cc2c(ccnc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)o1 ZINC001164811512 721582300 /nfs/dbraw/zinc/58/23/00/721582300.db2.gz XXJXBPURPYTNFD-SVFBPWRDSA-N 0 1 378.476 3.399 20 0 GGADMN CCOc1cncc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164901731 721583407 /nfs/dbraw/zinc/58/34/07/721583407.db2.gz ADFSKKWPKMTUAY-LJQANCHMSA-N 0 1 389.450 3.008 20 0 GGADMN CCOc1cncc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164901729 721583693 /nfs/dbraw/zinc/58/36/93/721583693.db2.gz ADFSKKWPKMTUAY-IBGZPJMESA-N 0 1 389.450 3.008 20 0 GGADMN CSCc1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806295 721584530 /nfs/dbraw/zinc/58/45/30/721584530.db2.gz MXGPKPVMIRYVEA-DYXWJJEUSA-N 0 1 384.549 3.208 20 0 GGADMN [O-][n+]1c(Cl)cccc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904882 721699411 /nfs/dbraw/zinc/69/94/11/721699411.db2.gz HLGGQRNUXOWMJF-SFHVURJKSA-N 0 1 394.853 3.106 20 0 GGADMN FC1(F)CCN(c2cnc3cccnc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906206 721700835 /nfs/dbraw/zinc/70/08/35/721700835.db2.gz MBVSLVWTRBHNEA-FQEVSTJZSA-N 0 1 396.445 3.158 20 0 GGADMN Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1F ZINC001164907445 721702047 /nfs/dbraw/zinc/70/20/47/721702047.db2.gz SUJXCOOTVUQPGG-GOSISDBHSA-N 0 1 377.414 3.057 20 0 GGADMN FC1(F)CCN(c2ncc(C3CC3)cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904854 721706872 /nfs/dbraw/zinc/70/68/72/721706872.db2.gz DMHFVKBGMRGULO-HXUWFJFHSA-N 0 1 385.462 3.487 20 0 GGADMN CCOc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164912123 721724188 /nfs/dbraw/zinc/72/41/88/721724188.db2.gz LXIXZPBVJKVZDL-LJQANCHMSA-N 0 1 389.450 3.008 20 0 GGADMN FC1(F)CCN(c2nnc3ccccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913790 721729029 /nfs/dbraw/zinc/72/90/29/721729029.db2.gz XSSLFVVVGKKYMO-HXUWFJFHSA-N 0 1 396.445 3.158 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2nccc3cc(Cl)ccc32)CC1 ZINC001165010597 721734796 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CCc1nc(C)cc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023034 721843798 /nfs/dbraw/zinc/84/37/98/721843798.db2.gz WJSBUIFFEYBEFR-UHFFFAOYSA-N 0 1 384.524 3.465 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc3c(nn2)CCC3)CC1 ZINC001165029820 721844868 /nfs/dbraw/zinc/84/48/68/721844868.db2.gz FGVKPIJFLUFQKL-UHFFFAOYSA-N 0 1 382.508 3.083 20 0 GGADMN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCN(C2CCCC2)CC1 ZINC001165033592 721862580 /nfs/dbraw/zinc/86/25/80/721862580.db2.gz RHIZRWKADDJZMW-UHFFFAOYSA-N 0 1 388.846 3.437 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@@H]2C1 ZINC001164936138 721897992 /nfs/dbraw/zinc/89/79/92/721897992.db2.gz YENNDUSBNJWFLH-BMGDILEWSA-N 0 1 391.943 3.366 20 0 GGADMN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165039553 721917710 /nfs/dbraw/zinc/91/77/10/721917710.db2.gz SUBQADALHAFEPR-MOPGFXCFSA-N 0 1 395.551 3.310 20 0 GGADMN C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165039555 721917931 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WLUFGYJAUFWHBX-NRFANRHFSA-N 0 1 395.503 3.177 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C(=O)[O-])c1 ZINC000908822685 939329579 /nfs/dbraw/zinc/32/95/79/939329579.db2.gz FHXJKVISKIBLOE-IEBWSBKVSA-N 0 1 375.513 3.383 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C(=O)[O-])cc1C ZINC000908822697 939330071 /nfs/dbraw/zinc/33/00/71/939330071.db2.gz FJJKNEXCGODFDC-MJGOQNOKSA-N 0 1 375.513 3.383 20 0 GGADMN CC[C@](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)(C(=O)[O-])c1ccccc1 ZINC000908823061 939330176 /nfs/dbraw/zinc/33/01/76/939330176.db2.gz KEBUEFFVQHHBIY-DYESRHJHSA-N 0 1 375.513 3.330 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)[O-])c1 ZINC000908827353 939330865 /nfs/dbraw/zinc/33/08/65/939330865.db2.gz IJLKFHPHGQAOFP-BEFAXECRSA-N 0 1 375.513 3.240 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])c1C ZINC000908827213 939330879 /nfs/dbraw/zinc/33/08/79/939330879.db2.gz CFQRSUWAYKSBGA-YRNRMSPPSA-N 0 1 389.540 3.486 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)[O-])c1C ZINC000908827468 939331123 /nfs/dbraw/zinc/33/11/23/939331123.db2.gz JDSMZSZACSDJGS-DNVCBOLYSA-N 0 1 375.513 3.240 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])c1 ZINC000908828204 939331334 /nfs/dbraw/zinc/33/13/34/939331334.db2.gz IPKDTAQHXGQFAQ-NSHGMRRFSA-N 0 1 389.540 3.486 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C(=O)[O-])c1C ZINC000908827472 939331421 /nfs/dbraw/zinc/33/14/21/939331421.db2.gz JDSMZSZACSDJGS-HNAYVOBHSA-N 0 1 375.513 3.240 20 0 GGADMN CCC1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)(C(=O)[O-])CC1 ZINC000908828659 939331489 /nfs/dbraw/zinc/33/14/89/939331489.db2.gz KFBKKTDSCNFMQI-JOIKAWEESA-N 0 1 381.561 3.467 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908831070 939332607 /nfs/dbraw/zinc/33/26/07/939332607.db2.gz WUQYLJYKLDGVPP-ZRGWGRIASA-N 0 1 393.503 3.317 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908874396 939341169 /nfs/dbraw/zinc/34/11/69/939341169.db2.gz PBTRLSOMJRJBNB-JLMWRMLUSA-N 0 1 387.524 3.231 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000908874787 939341580 /nfs/dbraw/zinc/34/15/80/939341580.db2.gz UCELNZZBAJTCHK-XLIONFOSSA-N 0 1 399.466 3.163 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000908878461 939342726 /nfs/dbraw/zinc/34/27/26/939342726.db2.gz TYBLKLFJOKSDJO-HXUWFJFHSA-N 0 1 383.492 3.380 20 0 GGADMN Cc1ccc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C(=O)[O-])cc1C ZINC000908880943 939343906 /nfs/dbraw/zinc/34/39/06/939343906.db2.gz GPTKCZPAYARBHL-KDOFPFPSSA-N 0 1 375.513 3.239 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C(=O)[O-])ccc1F ZINC000908878851 939344070 /nfs/dbraw/zinc/34/40/70/939344070.db2.gz AZLVCWXBDSDCGO-QWQRMKEZSA-N 0 1 393.503 3.316 20 0 GGADMN Cc1cc([C@H](NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908881151 939344107 /nfs/dbraw/zinc/34/41/07/939344107.db2.gz CTHGIBJRYUXMAX-CVAIRZPRSA-N 0 1 399.466 3.395 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C(=O)[O-])ccc1F ZINC000908883427 939344220 /nfs/dbraw/zinc/34/42/20/939344220.db2.gz XRAYANMQVSZKEW-CXAGYDPISA-N 0 1 379.476 3.070 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000908882944 939344377 /nfs/dbraw/zinc/34/43/77/939344377.db2.gz RXFOBDJZPFQFOU-JKIFEVAISA-N 0 1 379.476 3.007 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC000908882925 939344541 /nfs/dbraw/zinc/34/45/41/939344541.db2.gz RGCJOFTVJPRCOG-IIYDPXPESA-N 0 1 397.466 3.146 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C(=O)[O-])c1C ZINC000908883456 939345081 /nfs/dbraw/zinc/34/50/81/939345081.db2.gz XZEZXZDUMMRSCQ-KSSFIOAISA-N 0 1 375.513 3.239 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000908884377 939345107 /nfs/dbraw/zinc/34/51/07/939345107.db2.gz ZTBQNWKJPKJUCZ-FQEVSTJZSA-N 0 1 383.492 3.380 20 0 GGADMN Cc1cc([C@H](NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908883622 939345385 /nfs/dbraw/zinc/34/53/85/939345385.db2.gz CTHGIBJRYUXMAX-QSFXBCCZSA-N 0 1 399.466 3.395 20 0 GGADMN CC[C@@](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000908885811 939345782 /nfs/dbraw/zinc/34/57/82/939345782.db2.gz PKUKSYHQHOJNNB-JKSBSHDWSA-N 0 1 389.540 3.432 20 0 GGADMN O=C([O-])C1(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCCC1 ZINC000908893193 939346809 /nfs/dbraw/zinc/34/68/09/939346809.db2.gz MJOFGBBBYMDIBS-INIZCTEOSA-N 0 1 393.553 3.437 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC000908904973 939348623 /nfs/dbraw/zinc/34/86/23/939348623.db2.gz UMQNNISLYZPNLG-JXFKEZNVSA-N 0 1 383.492 3.385 20 0 GGADMN 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C[C@@H](NCc1cn2cccnc2n1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824627123 946876018 /nfs/dbraw/zinc/87/60/18/946876018.db2.gz UVHMNAMBKZDXRO-OAHLLOKOSA-N 0 1 396.458 3.427 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000326521184 971300557 /nfs/dbraw/zinc/30/05/57/971300557.db2.gz MFZMXKUJOMXKQS-NEPJUHHUSA-N 0 1 396.285 3.156 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000326613893 971309645 /nfs/dbraw/zinc/30/96/45/971309645.db2.gz KNVFHWSVPKIYQH-UHFFFAOYSA-N 0 1 398.301 3.452 20 0 GGADMN C[C@H]1c2ccsc2CCN1Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825028389 947049744 /nfs/dbraw/zinc/04/97/44/947049744.db2.gz HMEJIGTVNSPJDK-ZDUSSCGKSA-N 0 1 391.504 3.448 20 0 GGADMN COc1c(Br)cccc1CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826166439 947522971 /nfs/dbraw/zinc/52/29/71/947522971.db2.gz KITUQKYEFVEVKY-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000327377065 971393292 /nfs/dbraw/zinc/39/32/92/971393292.db2.gz BAKIKGPSLKCWEZ-MRXNPFEDSA-N 0 1 379.243 3.443 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000327377065 971393297 /nfs/dbraw/zinc/39/32/97/971393297.db2.gz BAKIKGPSLKCWEZ-MRXNPFEDSA-N 0 1 379.243 3.443 20 0 GGADMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c(-c2nn[nH]n2)c1C ZINC000826349832 948095958 /nfs/dbraw/zinc/09/59/58/948095958.db2.gz WGBZTTVDTVCTAT-JTQLQIEISA-N 0 1 390.900 3.488 20 0 GGADMN Fc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826371932 948157556 /nfs/dbraw/zinc/15/75/56/948157556.db2.gz ZOTMFQIFYYKEKA-CYBMUJFWSA-N 0 1 395.364 3.058 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)cc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000826373795 948161622 /nfs/dbraw/zinc/16/16/22/948161622.db2.gz ZVFMGFMBTWKRHO-UHFFFAOYSA-N 0 1 395.364 3.058 20 0 GGADMN O=C1[C@@H](N2CCC[C@@H]2c2ccsc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476459 948381213 /nfs/dbraw/zinc/38/12/13/948381213.db2.gz IDGCUWDUBHEJQW-MSOLQXFVSA-N 0 1 394.504 3.261 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)CC2 ZINC001602765293 971490587 /nfs/dbraw/zinc/49/05/87/971490587.db2.gz UKVMOGOVCYQVFM-KRWDZBQOSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)CC2 ZINC001602765293 971490594 /nfs/dbraw/zinc/49/05/94/971490594.db2.gz UKVMOGOVCYQVFM-KRWDZBQOSA-N 0 1 397.475 3.097 20 0 GGADMN CC(C)C(NS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1)C(C)C ZINC001574079958 948778549 /nfs/dbraw/zinc/77/85/49/948778549.db2.gz MGZXMBYYEPMLIK-UHFFFAOYSA-N 0 1 379.511 3.040 20 0 GGADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2ccccc2Cl)CC1 ZINC001575503154 949036895 /nfs/dbraw/zinc/03/68/95/949036895.db2.gz JRURATVYQSOICW-HNNXBMFYSA-N 0 1 382.899 3.399 20 0 GGADMN C[C@@]1(c2ccccc2)CCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001575857496 949271283 /nfs/dbraw/zinc/27/12/83/949271283.db2.gz RZTZPKBJVOHNPV-FQEVSTJZSA-N 0 1 396.882 3.470 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C(=O)OC)c(Br)c2)C1 ZINC001589606409 949284124 /nfs/dbraw/zinc/28/41/24/949284124.db2.gz OEJALHJGGYFHFH-QGZVFWFLSA-N 0 1 384.270 3.313 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC001589606549 949290858 /nfs/dbraw/zinc/29/08/58/949290858.db2.gz UYCMILNOMWGNKG-YUNKPMOVSA-N 0 1 388.537 3.475 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001589606578 949293649 /nfs/dbraw/zinc/29/36/49/949293649.db2.gz WRVBLIRJNYRGAQ-FQEVSTJZSA-N 0 1 376.428 3.181 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589624950 949465199 /nfs/dbraw/zinc/46/51/99/949465199.db2.gz QPDQBFDKMAJRLC-IBGZPJMESA-N 0 1 381.476 3.442 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589624951 949465791 /nfs/dbraw/zinc/46/57/91/949465791.db2.gz QPDQBFDKMAJRLC-LJQANCHMSA-N 0 1 381.476 3.442 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)c1 ZINC001595242142 949477056 /nfs/dbraw/zinc/47/70/56/949477056.db2.gz IUDSZHFCUOYJCT-CQSZACIVSA-N 0 1 376.254 3.317 20 0 GGADMN C[C@@H](CNC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1ccc(F)cc1 ZINC001574949781 949511395 /nfs/dbraw/zinc/51/13/95/949511395.db2.gz CZJGXXYLUBNXBL-ZETCQYMHSA-N 0 1 381.824 3.041 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589650705 949777098 /nfs/dbraw/zinc/77/70/98/949777098.db2.gz RYNQFFJNWBIXND-QZTJIDSGSA-N 0 1 377.529 3.325 20 0 GGADMN CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589650705 949777115 /nfs/dbraw/zinc/77/71/15/949777115.db2.gz RYNQFFJNWBIXND-QZTJIDSGSA-N 0 1 377.529 3.325 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589650704 949777863 /nfs/dbraw/zinc/77/78/63/949777863.db2.gz RYNQFFJNWBIXND-MSOLQXFVSA-N 0 1 377.529 3.325 20 0 GGADMN CCCCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001589650704 949777882 /nfs/dbraw/zinc/77/78/82/949777882.db2.gz RYNQFFJNWBIXND-MSOLQXFVSA-N 0 1 377.529 3.325 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001595270922 949823391 /nfs/dbraw/zinc/82/33/91/949823391.db2.gz JLSUAZJUHXUAPM-FXAWDEMLSA-N 0 1 394.475 3.298 20 0 GGADMN O=C([O-])CCCCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000238155061 949994581 /nfs/dbraw/zinc/99/45/81/949994581.db2.gz YCIMHNBLEUBJFL-SFHVURJKSA-N 0 1 386.414 3.202 20 0 GGADMN O=C([O-])c1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000262947569 950196472 /nfs/dbraw/zinc/19/64/72/950196472.db2.gz AJKXKOTXHFHLEH-UHFFFAOYSA-N 0 1 389.293 3.465 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263095682 950262311 /nfs/dbraw/zinc/26/23/11/950262311.db2.gz VHEGBMYITJHNAB-CJNGLKHVSA-N 0 1 381.398 3.493 20 0 GGADMN CCN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001589705245 950275187 /nfs/dbraw/zinc/27/51/87/950275187.db2.gz IPDISVHXHQMXCX-KXBFYZLASA-N 0 1 382.464 3.469 20 0 GGADMN CC(C)(C)OC(=O)C[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC001573850593 950280599 /nfs/dbraw/zinc/28/05/99/950280599.db2.gz LLMQQYDOWJVFPV-AWEZNQCLSA-N 0 1 375.448 3.092 20 0 GGADMN O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000263128910 950281883 /nfs/dbraw/zinc/28/18/83/950281883.db2.gz LKLIYMGPVRGQJI-PKOBYXMFSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000263128907 950282620 /nfs/dbraw/zinc/28/26/20/950282620.db2.gz LKLIYMGPVRGQJI-HKUYNNGSSA-N 0 1 376.472 3.284 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)NCCCC(=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000263136517 950286708 /nfs/dbraw/zinc/28/67/08/950286708.db2.gz YZTPSYGSNBCPHE-LJQANCHMSA-N 0 1 391.512 3.452 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000263156474 950301142 /nfs/dbraw/zinc/30/11/42/950301142.db2.gz QAMNYWYWWSEZHA-NSHDSACASA-N 0 1 376.254 3.344 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000263156474 950301160 /nfs/dbraw/zinc/30/11/60/950301160.db2.gz QAMNYWYWWSEZHA-NSHDSACASA-N 0 1 376.254 3.344 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)ccc2c1 ZINC000263163100 950305475 /nfs/dbraw/zinc/30/54/75/950305475.db2.gz GHTZTHVCYVNENJ-TWOQFEAHSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000263314325 950365144 /nfs/dbraw/zinc/36/51/44/950365144.db2.gz IKQAEZMPTUOICT-RKDXNWHRSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000263314325 950365152 /nfs/dbraw/zinc/36/51/52/950365152.db2.gz IKQAEZMPTUOICT-RKDXNWHRSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000263322858 950367754 /nfs/dbraw/zinc/36/77/54/950367754.db2.gz JXNPFCUAWUNKQI-KUDFPVQQSA-N 0 1 398.528 3.265 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263386159 950425873 /nfs/dbraw/zinc/42/58/73/950425873.db2.gz YBGOMCHDQCBOFN-QLFBSQMISA-N 0 1 379.526 3.240 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263386156 950427082 /nfs/dbraw/zinc/42/70/82/950427082.db2.gz YBGOMCHDQCBOFN-ILXRZTDVSA-N 0 1 379.526 3.240 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263510941 950498947 /nfs/dbraw/zinc/49/89/47/950498947.db2.gz YSAWLWYFGPWHQH-HXUWFJFHSA-N 0 1 395.503 3.438 20 0 GGADMN CC(C)CCC1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001574183892 950767592 /nfs/dbraw/zinc/76/75/92/950767592.db2.gz ALKMTCNQBGQYKS-LJQANCHMSA-N 0 1 382.512 3.120 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000320691938 950997356 /nfs/dbraw/zinc/99/73/56/950997356.db2.gz GTKQXRCOGDGXEO-QGZVFWFLSA-N 0 1 383.286 3.273 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000320691938 950997377 /nfs/dbraw/zinc/99/73/77/950997377.db2.gz GTKQXRCOGDGXEO-QGZVFWFLSA-N 0 1 383.286 3.273 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC001594992949 951050543 /nfs/dbraw/zinc/05/05/43/951050543.db2.gz IAGAVMKXXZGHIL-WBVHZDCISA-N 0 1 398.425 3.383 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC001591091744 951056623 /nfs/dbraw/zinc/05/66/23/951056623.db2.gz BVFXIAPZVMNQFY-GFCCVEGCSA-N 0 1 396.509 3.001 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)c(C(=O)[O-])c1C ZINC001591425988 951136641 /nfs/dbraw/zinc/13/66/41/951136641.db2.gz MUKMPHICJYGRHP-GHMZBOCLSA-N 0 1 382.482 3.133 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC001591426409 951138111 /nfs/dbraw/zinc/13/81/11/951138111.db2.gz QUYDSNZNTISWRY-JTQLQIEISA-N 0 1 396.237 3.279 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001591426409 951138122 /nfs/dbraw/zinc/13/81/22/951138122.db2.gz QUYDSNZNTISWRY-JTQLQIEISA-N 0 1 396.237 3.279 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1C ZINC001591427108 951142314 /nfs/dbraw/zinc/14/23/14/951142314.db2.gz ZWHQFKCFOYUJNO-YPMHNXCESA-N 0 1 396.509 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2[C@H](C)CCC2(C)C)c(C(=O)[O-])c1C ZINC001591427061 951142503 /nfs/dbraw/zinc/14/25/03/951142503.db2.gz ZEZIJQLGKCWTKO-SNVBAGLBSA-N 0 1 382.482 3.133 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)c(C(=O)[O-])c1C ZINC001591427057 951142822 /nfs/dbraw/zinc/14/28/22/951142822.db2.gz ZEZIJQLGKCWTKO-JTQLQIEISA-N 0 1 382.482 3.133 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c(C(=O)[O-])c1C ZINC001591466513 951145691 /nfs/dbraw/zinc/14/56/91/951145691.db2.gz GORNBZCDCHMOJC-NSHDSACASA-N 0 1 396.509 3.238 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@@H](C)CC(C)(C)C2)c(C(=O)[O-])c1C ZINC001591466513 951145693 /nfs/dbraw/zinc/14/56/93/951145693.db2.gz GORNBZCDCHMOJC-NSHDSACASA-N 0 1 396.509 3.238 20 0 GGADMN C[C@@H](CCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000379644926 951170426 /nfs/dbraw/zinc/17/04/26/951170426.db2.gz XLTDHYCBWVUNTL-HKUYNNGSSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@H](CCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000379644927 951170719 /nfs/dbraw/zinc/17/07/19/951170719.db2.gz XLTDHYCBWVUNTL-IEBWSBKVSA-N 0 1 375.513 3.183 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379635357 951171363 /nfs/dbraw/zinc/17/13/63/951171363.db2.gz PDMFZTRBRFPSLT-UHOSZYNNSA-N 0 1 375.513 3.086 20 0 GGADMN C[C@H](CCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000379644928 951171753 /nfs/dbraw/zinc/17/17/53/951171753.db2.gz XLTDHYCBWVUNTL-MJGOQNOKSA-N 0 1 375.513 3.183 20 0 GGADMN CCOCN(C(=O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C)c1c(C)cccc1CC ZINC001591977389 951252045 /nfs/dbraw/zinc/25/20/45/951252045.db2.gz PNFJOXFPYOJRBF-SJLPKXTDSA-N 0 1 376.497 3.070 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC001595013149 951276219 /nfs/dbraw/zinc/27/62/19/951276219.db2.gz YXELXZXJNBACQK-MSOLQXFVSA-N 0 1 394.462 3.247 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC001595013151 951277085 /nfs/dbraw/zinc/27/70/85/951277085.db2.gz YXELXZXJNBACQK-ROUUACIJSA-N 0 1 394.462 3.247 20 0 GGADMN CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592009671 951292240 /nfs/dbraw/zinc/29/22/40/951292240.db2.gz UZBZCKOONSMWCK-HUUCEWRRSA-N 0 1 377.872 3.163 20 0 GGADMN CCOc1c(Cl)cccc1C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592009666 951292558 /nfs/dbraw/zinc/29/25/58/951292558.db2.gz UZBZCKOONSMWCK-CABCVRRESA-N 0 1 377.872 3.163 20 0 GGADMN CCOc1c(Cl)cccc1C[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001592009673 951292937 /nfs/dbraw/zinc/29/29/37/951292937.db2.gz UZBZCKOONSMWCK-LSDHHAIUSA-N 0 1 377.872 3.163 20 0 GGADMN CCOc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc(Br)c1O ZINC001592184162 951302889 /nfs/dbraw/zinc/30/28/89/951302889.db2.gz FCABWPHMULXBES-QWHCGFSZSA-N 0 1 384.270 3.096 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001602868789 971739350 /nfs/dbraw/zinc/73/93/50/971739350.db2.gz RZGDIOQIGMMYTP-OAQYLSRUSA-N 0 1 376.472 3.303 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2C)C1 ZINC000390934562 951389766 /nfs/dbraw/zinc/38/97/66/951389766.db2.gz IRWBKEYNCWFORL-QGZVFWFLSA-N 0 1 383.286 3.273 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC001595066135 951546948 /nfs/dbraw/zinc/54/69/48/951546948.db2.gz YVEOVGXIVGFQOW-UHFFFAOYSA-N 0 1 387.505 3.158 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001595066297 951549361 /nfs/dbraw/zinc/54/93/61/951549361.db2.gz HJHZMIPPBSSZHA-LJQANCHMSA-N 0 1 381.476 3.347 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000397958987 951576600 /nfs/dbraw/zinc/57/66/00/951576600.db2.gz OEBVUCWUYVNMER-OALUTQOASA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)CC1CC1 ZINC001595071386 951596360 /nfs/dbraw/zinc/59/63/60/951596360.db2.gz NOCIORYVQYWHCL-UHFFFAOYSA-N 0 1 380.444 3.043 20 0 GGADMN O=C([O-])CN1CC[C@H]([NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001595071820 951601382 /nfs/dbraw/zinc/60/13/82/951601382.db2.gz KJJZYVCLFIUPKK-INIZCTEOSA-N 0 1 383.275 3.158 20 0 GGADMN O=C([O-])C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC001595096755 951822546 /nfs/dbraw/zinc/82/25/46/951822546.db2.gz NUJAFWAATIEAPV-YJBOKZPZSA-N 0 1 387.407 3.124 20 0 GGADMN O=C([O-])COc1cccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC001595120617 951973342 /nfs/dbraw/zinc/97/33/42/951973342.db2.gz FYJVPZQVERANQZ-INIZCTEOSA-N 0 1 397.475 3.208 20 0 GGADMN O=C([O-])[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001595162544 952200368 /nfs/dbraw/zinc/20/03/68/952200368.db2.gz FAELOHRSWUQIPP-RTWAWAEBSA-N 0 1 398.478 3.350 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC001595209308 952355558 /nfs/dbraw/zinc/35/55/58/952355558.db2.gz YWQJWTMWJRJPCZ-PXNSSMCTSA-N 0 1 394.475 3.298 20 0 GGADMN O=C([O-])c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC001595209307 952356172 /nfs/dbraw/zinc/35/61/72/952356172.db2.gz YWQJWTMWJRJPCZ-FXAWDEMLSA-N 0 1 394.475 3.298 20 0 GGADMN CC(C)(C)OCCC[NH+]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001602917476 971876690 /nfs/dbraw/zinc/87/66/90/971876690.db2.gz YMLYBHQAUDKUOM-UHFFFAOYSA-N 0 1 391.512 3.059 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000383714749 971888281 /nfs/dbraw/zinc/88/82/81/971888281.db2.gz HZBWGSYKIGVIAH-GOSISDBHSA-N 0 1 375.513 3.089 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405269642 953385936 /nfs/dbraw/zinc/38/59/36/953385936.db2.gz UGZRHXOSOATLHH-ZDUSSCGKSA-N 0 1 379.625 3.241 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000414607346 953396097 /nfs/dbraw/zinc/39/60/97/953396097.db2.gz GDDFTIQSLDDWEG-QGZVFWFLSA-N 0 1 381.904 3.201 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000414607346 953396113 /nfs/dbraw/zinc/39/61/13/953396113.db2.gz GDDFTIQSLDDWEG-QGZVFWFLSA-N 0 1 381.904 3.201 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000414607345 953396322 /nfs/dbraw/zinc/39/63/22/953396322.db2.gz GDDFTIQSLDDWEG-KRWDZBQOSA-N 0 1 381.904 3.201 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000414607345 953396337 /nfs/dbraw/zinc/39/63/37/953396337.db2.gz GDDFTIQSLDDWEG-KRWDZBQOSA-N 0 1 381.904 3.201 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000414635881 953405390 /nfs/dbraw/zinc/40/53/90/953405390.db2.gz IODUNIXAHHANMF-MRXNPFEDSA-N 0 1 386.414 3.398 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000422595636 953426133 /nfs/dbraw/zinc/42/61/33/953426133.db2.gz ZRYRJXTUOQSAGV-OXFYSEKESA-N 0 1 386.517 3.386 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000424405663 953470491 /nfs/dbraw/zinc/47/04/91/953470491.db2.gz IFNHGYZNUIQXSV-KVPLUYHFSA-N 0 1 389.540 3.189 20 0 GGADMN CC(C)(CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000424406690 953471928 /nfs/dbraw/zinc/47/19/28/953471928.db2.gz REEIJKFGBFYBLK-RTBURBONSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)(CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000424406580 953472526 /nfs/dbraw/zinc/47/25/26/953472526.db2.gz REEIJKFGBFYBLK-RBUKOAKNSA-N 0 1 387.524 3.183 20 0 GGADMN CC[C@H]1CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424407248 953472553 /nfs/dbraw/zinc/47/25/53/953472553.db2.gz GZTNDVLENKRBRD-MOPGFXCFSA-N 0 1 375.513 3.039 20 0 GGADMN CC[C@H]1CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424407250 953472656 /nfs/dbraw/zinc/47/26/56/953472656.db2.gz GZTNDVLENKRBRD-OALUTQOASA-N 0 1 375.513 3.039 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424410475 953475626 /nfs/dbraw/zinc/47/56/26/953475626.db2.gz YZXOJILVJIKBRH-WMZOPIPTSA-N 0 1 375.513 3.182 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000424414079 953476481 /nfs/dbraw/zinc/47/64/81/953476481.db2.gz RUXUBFFYFMSPFN-DZFIZOCASA-N 0 1 389.540 3.333 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424410469 953476940 /nfs/dbraw/zinc/47/69/40/953476940.db2.gz YZXOJILVJIKBRH-SJLPKXTDSA-N 0 1 375.513 3.182 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424410463 953477007 /nfs/dbraw/zinc/47/70/07/953477007.db2.gz YZXOJILVJIKBRH-FUHWJXTLSA-N 0 1 375.513 3.182 20 0 GGADMN CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424423144 953480291 /nfs/dbraw/zinc/48/02/91/953480291.db2.gz HFABUZRTGDKAOF-GOSISDBHSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000424443456 953486969 /nfs/dbraw/zinc/48/69/69/953486969.db2.gz AZQXMIBJGXXLJI-AEFFLSMTSA-N 0 1 375.513 3.087 20 0 GGADMN CC(C)C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424455073 953488127 /nfs/dbraw/zinc/48/81/27/953488127.db2.gz UNJOFEFLZWBXPZ-MISYRCLQSA-N 0 1 389.540 3.333 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424458181 953490526 /nfs/dbraw/zinc/49/05/26/953490526.db2.gz ZZXKZEBDQYDMNW-CZUORRHYSA-N 0 1 399.894 3.272 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000449143236 953512445 /nfs/dbraw/zinc/51/24/45/953512445.db2.gz HQKMDLUVUODBPU-MDZRGWNJSA-N 0 1 390.524 3.305 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000449143225 953513038 /nfs/dbraw/zinc/51/30/38/953513038.db2.gz HQKMDLUVUODBPU-FCEWJHQRSA-N 0 1 390.524 3.305 20 0 GGADMN 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C[C@H]1C[C@@H](CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000646153724 953933885 /nfs/dbraw/zinc/93/38/85/953933885.db2.gz ZHBDYUGMHQVECW-PKOBYXMFSA-N 0 1 387.524 3.183 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3C[C@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000647367292 953955081 /nfs/dbraw/zinc/95/50/81/953955081.db2.gz KDPXVPGWIRAARC-HUUCEWRRSA-N 0 1 387.505 3.318 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3C[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000647367293 953955136 /nfs/dbraw/zinc/95/51/36/953955136.db2.gz KDPXVPGWIRAARC-LSDHHAIUSA-N 0 1 387.505 3.318 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(C)(C(=O)[O-])CC3)s2)c1 ZINC000647377211 953960341 /nfs/dbraw/zinc/96/03/41/953960341.db2.gz XZRPUFYXBNJSRI-UHFFFAOYSA-N 0 1 387.505 3.168 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H]1C(=O)[O-] ZINC001589334388 953978301 /nfs/dbraw/zinc/97/83/01/953978301.db2.gz OHLMRTBADKMJAS-WFASDCNBSA-N 0 1 381.473 3.120 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@@H]1C(=O)[O-] ZINC001589334388 953978314 /nfs/dbraw/zinc/97/83/14/953978314.db2.gz OHLMRTBADKMJAS-WFASDCNBSA-N 0 1 381.473 3.120 20 0 GGADMN CC(C)Oc1ccc(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1Cl ZINC000650500291 954018806 /nfs/dbraw/zinc/01/88/06/954018806.db2.gz WOVPESSIDNMRGL-OAHLLOKOSA-N 0 1 394.899 3.025 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC1CC1 ZINC000650512317 954023858 /nfs/dbraw/zinc/02/38/58/954023858.db2.gz ZUFFCXABMFYIDL-UHFFFAOYSA-N 0 1 376.840 3.013 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC1CC1 ZINC000650512317 954023874 /nfs/dbraw/zinc/02/38/74/954023874.db2.gz ZUFFCXABMFYIDL-UHFFFAOYSA-N 0 1 376.840 3.013 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652084957 954039208 /nfs/dbraw/zinc/03/92/08/954039208.db2.gz LUYYEJCUDVMSHK-SVMVAKDDSA-N 0 1 389.540 3.086 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652087109 954043902 /nfs/dbraw/zinc/04/39/02/954043902.db2.gz VPYPNDMDSJFYRD-HCLVMJGWSA-N 0 1 395.503 3.164 20 0 GGADMN CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CCCCC1 ZINC001593692643 954051907 /nfs/dbraw/zinc/05/19/07/954051907.db2.gz APXZOQUQWWUFDR-PKOBYXMFSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000652097508 954063184 /nfs/dbraw/zinc/06/31/84/954063184.db2.gz IJPSRKDKBZLXRF-OMYJOFGJSA-N 0 1 387.524 3.323 20 0 GGADMN C[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652097509 954063390 /nfs/dbraw/zinc/06/33/90/954063390.db2.gz IJPSRKDKBZLXRF-PQLJQCGPSA-N 0 1 387.524 3.323 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000652099170 954065428 /nfs/dbraw/zinc/06/54/28/954065428.db2.gz PLBDKNYPKQISMO-HLNWXESRSA-N 0 1 389.540 3.426 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000652469880 954085994 /nfs/dbraw/zinc/08/59/94/954085994.db2.gz HNRDAVUFRQLSAG-WBVHZDCISA-N 0 1 375.852 3.072 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470963 954089084 /nfs/dbraw/zinc/08/90/84/954089084.db2.gz OOPJCPUJLMNYNF-ZBFHGGJFSA-N 0 1 395.377 3.129 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653287375 954096937 /nfs/dbraw/zinc/09/69/37/954096937.db2.gz TUSXRCCEIMLLOG-LIVBEALHSA-N 0 1 394.874 3.399 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000653287376 954097484 /nfs/dbraw/zinc/09/74/84/954097484.db2.gz TUSXRCCEIMLLOG-WIBUTAKZSA-N 0 1 394.874 3.399 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(F)cc1 ZINC001594843487 954105043 /nfs/dbraw/zinc/10/50/43/954105043.db2.gz LXIDRDKJEHNMRF-OAHLLOKOSA-N 0 1 378.201 3.151 20 0 GGADMN CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)N1CCC(C)CC1 ZINC001589353709 954110379 /nfs/dbraw/zinc/11/03/79/954110379.db2.gz XBYVRTMOIQELNW-AZUAARDMSA-N 0 1 391.556 3.427 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC001589353699 954110479 /nfs/dbraw/zinc/11/04/79/954110479.db2.gz WTDVDUVNGREMQW-ZPMCFJSWSA-N 0 1 392.499 3.203 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000653306704 954120524 /nfs/dbraw/zinc/12/05/24/954120524.db2.gz UIFLCXLQPKIITB-LEWJYISDSA-N 0 1 392.499 3.421 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC=CCC1 ZINC000653308706 954123219 /nfs/dbraw/zinc/12/32/19/954123219.db2.gz QEYVDFPGWACVJV-VQIMIIECSA-N 0 1 396.409 3.207 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC=CCC1 ZINC000653308593 954123984 /nfs/dbraw/zinc/12/39/84/954123984.db2.gz OEVHYJCVNCINPF-HXUWFJFHSA-N 0 1 376.884 3.185 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC=CCC1 ZINC000653308593 954123989 /nfs/dbraw/zinc/12/39/89/954123989.db2.gz OEVHYJCVNCINPF-HXUWFJFHSA-N 0 1 376.884 3.185 20 0 GGADMN CN(C)Cc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c2c1OC(F)(F)O2 ZINC001593702466 954135358 /nfs/dbraw/zinc/13/53/58/954135358.db2.gz RDLIZFCGYXZYRV-CQSZACIVSA-N 0 1 386.439 3.439 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)[nH+]c1 ZINC000653327963 954155694 /nfs/dbraw/zinc/15/56/94/954155694.db2.gz BTCVHTXOSZWESP-RBUKOAKNSA-N 0 1 379.460 3.036 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000653328537 954156929 /nfs/dbraw/zinc/15/69/29/954156929.db2.gz KGEWHGGRZAURIJ-DUXKGJEZSA-N 0 1 378.472 3.328 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)cs1 ZINC000653328259 954157311 /nfs/dbraw/zinc/15/73/11/954157311.db2.gz GPWYVCUWNSXYNM-RBUKOAKNSA-N 0 1 399.516 3.093 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)cs1 ZINC000653328258 954157349 /nfs/dbraw/zinc/15/73/49/954157349.db2.gz GPWYVCUWNSXYNM-OALUTQOASA-N 0 1 399.516 3.093 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329379 954158531 /nfs/dbraw/zinc/15/85/31/954158531.db2.gz VRWQRBZTVXUAEY-HSALFYBXSA-N 0 1 382.435 3.220 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329379 954158536 /nfs/dbraw/zinc/15/85/36/954158536.db2.gz VRWQRBZTVXUAEY-HSALFYBXSA-N 0 1 382.435 3.220 20 0 GGADMN O=C([O-])C1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC001594850160 954176236 /nfs/dbraw/zinc/17/62/36/954176236.db2.gz HHFOEQGADTYVPN-UHFFFAOYSA-N 0 1 378.900 3.409 20 0 GGADMN O=C([O-])C1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC001594850160 954176243 /nfs/dbraw/zinc/17/62/43/954176243.db2.gz HHFOEQGADTYVPN-UHFFFAOYSA-N 0 1 378.900 3.409 20 0 GGADMN O=C([O-])C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCCC1 ZINC001594855606 954229006 /nfs/dbraw/zinc/22/90/06/954229006.db2.gz GGLDPJIKVRKUHW-HSALFYBXSA-N 0 1 384.520 3.438 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(=O)[O-] ZINC000655860822 954243367 /nfs/dbraw/zinc/24/33/67/954243367.db2.gz IDGMMUFFHNTGJI-QKLQHJQFSA-N 0 1 389.540 3.321 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000655861125 954245073 /nfs/dbraw/zinc/24/50/73/954245073.db2.gz NIWAXULTLNGPKM-QFBILLFUSA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000655872159 954259092 /nfs/dbraw/zinc/25/90/92/954259092.db2.gz MJXNWGKWKNGEJE-JKIFEVAISA-N 0 1 399.894 3.128 20 0 GGADMN C[C@H](CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000655884888 954267148 /nfs/dbraw/zinc/26/71/48/954267148.db2.gz LKEQAIGITUPYSB-GOSISDBHSA-N 0 1 383.492 3.051 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(=O)[O-] ZINC000655893072 954274710 /nfs/dbraw/zinc/27/47/10/954274710.db2.gz BDNUGKMTMZKWMB-IBGZPJMESA-N 0 1 387.524 3.041 20 0 GGADMN C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902186 954283135 /nfs/dbraw/zinc/28/31/35/954283135.db2.gz OGTFJLLCWFHWCF-BPQIPLTHSA-N 0 1 389.540 3.332 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])[C@H](C)CN1C(=O)OC(C)(C)C ZINC001589382097 954285533 /nfs/dbraw/zinc/28/55/33/954285533.db2.gz DJDVSDJTQDOLCP-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H](C)CN1C(=O)OC(C)(C)C ZINC001589382097 954285543 /nfs/dbraw/zinc/28/55/43/954285543.db2.gz DJDVSDJTQDOLCP-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN O=C([O-])c1ccccc1C1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655908769 954292573 /nfs/dbraw/zinc/29/25/73/954292573.db2.gz SWTJFYUIMAJSBN-UXHICEINSA-N 0 1 385.508 3.291 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659395167 954321820 /nfs/dbraw/zinc/32/18/20/954321820.db2.gz KTRYYMYWWHPAIV-UXHICEINSA-N 0 1 389.540 3.335 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659395164 954321889 /nfs/dbraw/zinc/32/18/89/954321889.db2.gz KTRYYMYWWHPAIV-PMACEKPBSA-N 0 1 389.540 3.335 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC(=O)[O-] ZINC000659398681 954325576 /nfs/dbraw/zinc/32/55/76/954325576.db2.gz WRRUENWNWCFRIO-YZGWKJHDSA-N 0 1 389.540 3.476 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659403252 954328627 /nfs/dbraw/zinc/32/86/27/954328627.db2.gz ICTQXKFDUQFTJH-HOJAQTOUSA-N 0 1 389.540 3.333 20 0 GGADMN C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659403213 954328846 /nfs/dbraw/zinc/32/88/46/954328846.db2.gz HMXFMGQFOJAADI-YLJYHZDGSA-N 0 1 387.524 3.183 20 0 GGADMN CC1(C(=O)[O-])CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000659414947 954338008 /nfs/dbraw/zinc/33/80/08/954338008.db2.gz IDKZERWQGYGRSZ-LJQANCHMSA-N 0 1 399.535 3.185 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000659416841 954340993 /nfs/dbraw/zinc/34/09/93/954340993.db2.gz NNDONGHOUWBJBR-VQTJNVASSA-N 0 1 389.540 3.429 20 0 GGADMN CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659755068 954356859 /nfs/dbraw/zinc/35/68/59/954356859.db2.gz VFJANRFJOYDQDH-YLJYHZDGSA-N 0 1 396.487 3.448 20 0 GGADMN CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659755067 954357174 /nfs/dbraw/zinc/35/71/74/954357174.db2.gz VFJANRFJOYDQDH-XLIONFOSSA-N 0 1 396.487 3.448 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659757694 954359199 /nfs/dbraw/zinc/35/91/99/954359199.db2.gz KBHBEGYYVFCFQY-PXNSSMCTSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC001589395473 954362800 /nfs/dbraw/zinc/36/28/00/954362800.db2.gz IYIASGZQDCYOIZ-ZNLUXHQJSA-N 0 1 392.499 3.203 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](Cc2cccc(I)c2)Cc2ccccc21 ZINC000385685557 972008655 /nfs/dbraw/zinc/00/86/55/972008655.db2.gz DXPXDQLTQHASNH-INIZCTEOSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2cccc(I)c2)Cc2ccccc21 ZINC000385685557 972008659 /nfs/dbraw/zinc/00/86/59/972008659.db2.gz DXPXDQLTQHASNH-INIZCTEOSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])c1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659783909 954374854 /nfs/dbraw/zinc/37/48/54/954374854.db2.gz CZAXXFUUVWTOKC-HXUWFJFHSA-N 0 1 378.472 3.417 20 0 GGADMN O=C([O-])CN1CC[C@H]([N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1=O ZINC000662207504 954380943 /nfs/dbraw/zinc/38/09/43/954380943.db2.gz YPLWOTKKPSPRHR-INIZCTEOSA-N 0 1 384.398 3.136 20 0 GGADMN C[N@H+]([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662207277 954381179 /nfs/dbraw/zinc/38/11/79/954381179.db2.gz WBHZYLWVRABXQC-IEBWSBKVSA-N 0 1 390.842 3.186 20 0 GGADMN C[N@@H+]([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662207277 954381189 /nfs/dbraw/zinc/38/11/89/954381189.db2.gz WBHZYLWVRABXQC-IEBWSBKVSA-N 0 1 390.842 3.186 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC001589398753 954391984 /nfs/dbraw/zinc/39/19/84/954391984.db2.gz IHKUPVAKULPWRK-HZPDHXFCSA-N 0 1 383.444 3.351 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(I)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001589398833 954392053 /nfs/dbraw/zinc/39/20/53/954392053.db2.gz IZAKHRVGEYKAOE-JOYOIKCWSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccc(I)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001589398833 954392066 /nfs/dbraw/zinc/39/20/66/954392066.db2.gz IZAKHRVGEYKAOE-JOYOIKCWSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662224049 954395752 /nfs/dbraw/zinc/39/57/52/954395752.db2.gz QWVDPNICLJFXNN-OLMNPRSZSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662224049 954395765 /nfs/dbraw/zinc/39/57/65/954395765.db2.gz QWVDPNICLJFXNN-OLMNPRSZSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662224047 954397064 /nfs/dbraw/zinc/39/70/64/954397064.db2.gz QWVDPNICLJFXNN-JLSDUUJJSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662224047 954397076 /nfs/dbraw/zinc/39/70/76/954397076.db2.gz QWVDPNICLJFXNN-JLSDUUJJSA-N 0 1 384.501 3.484 20 0 GGADMN C[N@@H+](CCCOc1ccccc1CNC(=O)C1(C(=O)[O-])CCC1)C1CCCC1 ZINC001593751066 954411155 /nfs/dbraw/zinc/41/11/55/954411155.db2.gz OTYQUIWUQPCOOU-UHFFFAOYSA-N 0 1 388.508 3.201 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589400846 954426497 /nfs/dbraw/zinc/42/64/97/954426497.db2.gz IKYVLINJXIEWNM-QFBILLFUSA-N 0 1 381.476 3.203 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001593754451 954438053 /nfs/dbraw/zinc/43/80/53/954438053.db2.gz DZWMDHOWKLITJL-UHFFFAOYSA-N 0 1 395.459 3.208 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001593754451 954438056 /nfs/dbraw/zinc/43/80/56/954438056.db2.gz DZWMDHOWKLITJL-UHFFFAOYSA-N 0 1 395.459 3.208 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593756891 954460241 /nfs/dbraw/zinc/46/02/41/954460241.db2.gz LANSNSOXTCFUOH-GOSISDBHSA-N 0 1 382.464 3.298 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC=CC1 ZINC000663083438 954461785 /nfs/dbraw/zinc/46/17/85/954461785.db2.gz BTVXLSBZYPWAQU-QGZVFWFLSA-N 0 1 376.884 3.232 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC=CC1 ZINC000663083438 954461795 /nfs/dbraw/zinc/46/17/95/954461795.db2.gz BTVXLSBZYPWAQU-QGZVFWFLSA-N 0 1 376.884 3.232 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC001593760081 954477285 /nfs/dbraw/zinc/47/72/85/954477285.db2.gz QWVOXSYYDTXPDD-FQEVSTJZSA-N 0 1 381.476 3.346 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C[C@@H]1OCCc2ccccc21 ZINC001593760332 954479736 /nfs/dbraw/zinc/47/97/36/954479736.db2.gz LCIIDRAGWXHFNE-PXNSSMCTSA-N 0 1 384.476 3.326 20 0 GGADMN O=C([O-])[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000663102009 954487712 /nfs/dbraw/zinc/48/77/12/954487712.db2.gz WGALWLHZIGODEO-NFBKMPQASA-N 0 1 384.520 3.392 20 0 GGADMN C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)[C@H](C(=O)[O-])C1CC1 ZINC001593761115 954494117 /nfs/dbraw/zinc/49/41/17/954494117.db2.gz SRGQJNLNGMALKI-ZBFHGGJFSA-N 0 1 398.297 3.302 20 0 GGADMN C[C@H]1Cc2c(sc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2C(=O)[O-])[C@H](C)O1 ZINC001589411324 954517964 /nfs/dbraw/zinc/51/79/64/954517964.db2.gz OUIBOHBYYLTKCO-QWRGUYRKSA-N 0 1 398.444 3.302 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)Cc2ccccc21 ZINC000663136661 954524778 /nfs/dbraw/zinc/52/47/78/954524778.db2.gz YQSCPOQVQZBIHN-LEWJYISDSA-N 0 1 378.472 3.252 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCCC(=O)[O-])C1 ZINC000666516424 954547738 /nfs/dbraw/zinc/54/77/38/954547738.db2.gz SMTYOSBZEDKLNC-CALCHBBNSA-N 0 1 375.513 3.219 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666520491 954547777 /nfs/dbraw/zinc/54/77/77/954547777.db2.gz BQKKIFSPGCIALS-SJORKVTESA-N 0 1 387.524 3.394 20 0 GGADMN O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000666541183 954554223 /nfs/dbraw/zinc/55/42/23/954554223.db2.gz ZPHHVHOULLPSSB-VAMGGRTRSA-N 0 1 387.524 3.231 20 0 GGADMN O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000666541181 954554277 /nfs/dbraw/zinc/55/42/77/954554277.db2.gz ZPHHVHOULLPSSB-HSALFYBXSA-N 0 1 387.524 3.231 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666546339 954556185 /nfs/dbraw/zinc/55/61/85/954556185.db2.gz GPPZKIGDZYEULE-FQEVSTJZSA-N 0 1 395.503 3.485 20 0 GGADMN C[N@H+]1CCC[C@H](c2cccc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)c2)C1 ZINC001593781574 954674882 /nfs/dbraw/zinc/67/48/82/954674882.db2.gz UAWKYJMDUTXMFK-FDFHNCONSA-N 0 1 392.499 3.436 20 0 GGADMN C[NH+]1CCN(CCCOc2ccc(NCc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001593784641 954686851 /nfs/dbraw/zinc/68/68/51/954686851.db2.gz OBHTTWPGWRNCTH-UHFFFAOYSA-N 0 1 383.492 3.013 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC001594911746 954711067 /nfs/dbraw/zinc/71/10/67/954711067.db2.gz DXMOHZBEDGSLQK-DBQDNQAGSA-N 0 1 382.298 3.244 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC001594912304 954715144 /nfs/dbraw/zinc/71/51/44/954715144.db2.gz QTSVFJZBPQELCX-LYGPFTKASA-N 0 1 396.325 3.319 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC001594912305 954715187 /nfs/dbraw/zinc/71/51/87/954715187.db2.gz QTSVFJZBPQELCX-MDCZIUGASA-N 0 1 396.325 3.319 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)C1 ZINC001594914375 954728702 /nfs/dbraw/zinc/72/87/02/954728702.db2.gz GEKDCQDCDMMJEM-RYRKJORJSA-N 0 1 388.464 3.262 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H](C4CCOCC4)C3)o2)C1 ZINC001594914465 954730573 /nfs/dbraw/zinc/73/05/73/954730573.db2.gz GRXLGYPHYHITAO-MSOLQXFVSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594915301 954742224 /nfs/dbraw/zinc/74/22/24/954742224.db2.gz KIUXUMOMLGOSCM-CVEARBPZSA-N 0 1 389.521 3.492 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH+]3CCN(c4cccc(F)c4)CC3)o2)C1 ZINC001594915713 954748828 /nfs/dbraw/zinc/74/88/28/954748828.db2.gz KVTKSGQSRXJFFO-INIZCTEOSA-N 0 1 387.455 3.042 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001589447321 954774303 /nfs/dbraw/zinc/77/43/03/954774303.db2.gz XDNLGPVSFATFTO-BBWFWOEESA-N 0 1 380.460 3.372 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CC[C@H](Oc4ccc(F)cc4)C3)o2)C1 ZINC001594917832 954775943 /nfs/dbraw/zinc/77/59/43/954775943.db2.gz QHVDRHCCUCQIBG-BEFAXECRSA-N 0 1 388.439 3.373 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)C1 ZINC001594917854 954776922 /nfs/dbraw/zinc/77/69/22/954776922.db2.gz QKBATGHETYZNEH-RXVVDRJESA-N 0 1 398.503 3.453 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CC[C@@H](Cc4nccs4)C3)o2)C1 ZINC001594918516 954781375 /nfs/dbraw/zinc/78/13/75/954781375.db2.gz UECQHNDVVGDRPK-GJZGRUSLSA-N 0 1 375.494 3.102 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC[N@@H+](Cc4ccccc4)CC3)o2)C1 ZINC001594918519 954782733 /nfs/dbraw/zinc/78/27/33/954782733.db2.gz UELDCSVFEXJEGV-FQEVSTJZSA-N 0 1 397.519 3.289 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)o2)C1 ZINC001594918889 954786475 /nfs/dbraw/zinc/78/64/75/954786475.db2.gz WAANEVYQCJXGDL-IBGZPJMESA-N 0 1 397.519 3.335 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)o2)CC1 ZINC001594939531 954870310 /nfs/dbraw/zinc/87/03/10/954870310.db2.gz XJZNJOUVYINSMD-SJORKVTESA-N 0 1 376.497 3.219 20 0 GGADMN CC(C)[C@H]1[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002832 972049990 /nfs/dbraw/zinc/04/99/90/972049990.db2.gz NATWMONZLFOHPC-QFBILLFUSA-N 0 1 376.497 3.218 20 0 GGADMN CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002831 972050041 /nfs/dbraw/zinc/05/00/41/972050041.db2.gz NATWMONZLFOHPC-LPHOPBHVSA-N 0 1 376.497 3.218 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)Cc2ccccc21 ZINC001594948257 954936112 /nfs/dbraw/zinc/93/61/12/954936112.db2.gz RBZXDBKYUAWSKL-SFHVURJKSA-N 0 1 380.448 3.288 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2cn3cc(Br)ccc3n2)Cc2ccccc21 ZINC001594951856 954961410 /nfs/dbraw/zinc/96/14/10/954961410.db2.gz QBVMDWINSBCGMP-MRXNPFEDSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cn3cc(Br)ccc3n2)Cc2ccccc21 ZINC001594951856 954961415 /nfs/dbraw/zinc/96/14/15/954961415.db2.gz QBVMDWINSBCGMP-MRXNPFEDSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCSCC1 ZINC000707467414 954974260 /nfs/dbraw/zinc/97/42/60/954974260.db2.gz MJIPNROPFKIXBS-SFHVURJKSA-N 0 1 390.549 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC001594965473 955048401 /nfs/dbraw/zinc/04/84/01/955048401.db2.gz SWRCFJPZTQSOIW-MRXNPFEDSA-N 0 1 390.233 3.362 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC001594965473 955048414 /nfs/dbraw/zinc/04/84/14/955048414.db2.gz SWRCFJPZTQSOIW-MRXNPFEDSA-N 0 1 390.233 3.362 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc([C@H](C)C(F)(F)F)cc1)C[C@H]2C(=O)[O-] ZINC001593824609 955083921 /nfs/dbraw/zinc/08/39/21/955083921.db2.gz PRTGEGRFUNLLQJ-UHDNVXTHSA-N 0 1 399.409 3.438 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(OC)c(C(C)(C)C)c1)C[C@@H]2C(=O)[O-] ZINC001593825041 955092638 /nfs/dbraw/zinc/09/26/38/955092638.db2.gz WDVJVKKWGYCSBS-WIVVBHTDSA-N 0 1 389.492 3.079 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)co1 ZINC001594969692 955095247 /nfs/dbraw/zinc/09/52/47/955095247.db2.gz KIBQWTDIHRNAFE-BLGFXRMMSA-N 0 1 380.400 3.231 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000719975770 955172743 /nfs/dbraw/zinc/17/27/43/955172743.db2.gz OKVWBCLOMWYFFB-GOSISDBHSA-N 0 1 375.513 3.183 20 0 GGADMN CC(C)[C@H](CNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000720091488 955174913 /nfs/dbraw/zinc/17/49/13/955174913.db2.gz REFDKGQKAVQVIZ-MOPGFXCFSA-N 0 1 375.513 3.039 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCOc2ccccc2C(=O)[O-])cn1 ZINC000768785935 955318396 /nfs/dbraw/zinc/31/83/96/955318396.db2.gz QOUMZXCVCWOHRS-HXUWFJFHSA-N 0 1 383.423 3.358 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCOc2ccccc2C(=O)[O-])cn1 ZINC000768785935 955318405 /nfs/dbraw/zinc/31/84/05/955318405.db2.gz QOUMZXCVCWOHRS-HXUWFJFHSA-N 0 1 383.423 3.358 20 0 GGADMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1ccccc1Oc1ccc(C)cc1OC ZINC001593842120 955374655 /nfs/dbraw/zinc/37/46/55/955374655.db2.gz RNRNNQRVBNILLX-UHFFFAOYSA-N 0 1 387.432 3.246 20 0 GGADMN C[C@@H](CN(C)C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001589022317 955481942 /nfs/dbraw/zinc/48/19/42/955481942.db2.gz NZBYIRBSQOIRQQ-FXAWDEMLSA-N 0 1 386.467 3.206 20 0 GGADMN C[C@@]1(CNC(=O)NCc2cccc(C(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000840989635 955569647 /nfs/dbraw/zinc/56/96/47/955569647.db2.gz MDMMBFORXGXAGT-QFIPXVFZSA-N 0 1 381.476 3.096 20 0 GGADMN C[C@]1(CNC(=O)NCc2cccc(C(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000840989634 955570144 /nfs/dbraw/zinc/57/01/44/955570144.db2.gz MDMMBFORXGXAGT-JOCHJYFZSA-N 0 1 381.476 3.096 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535926 955573849 /nfs/dbraw/zinc/57/38/49/955573849.db2.gz KPGWSHZAELKDLT-UONOGXRCSA-N 0 1 382.291 3.460 20 0 GGADMN CN(C)c1nc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c(Cl)n1-c1ccccc1 ZINC000840997567 955584589 /nfs/dbraw/zinc/58/45/89/955584589.db2.gz WQYFDRQFFRXYBC-AWEZNQCLSA-N 0 1 376.888 3.278 20 0 GGADMN CN(C)c1nc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c(Cl)n1-c1ccccc1 ZINC000840997567 955584598 /nfs/dbraw/zinc/58/45/98/955584598.db2.gz WQYFDRQFFRXYBC-AWEZNQCLSA-N 0 1 376.888 3.278 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840998496 955586881 /nfs/dbraw/zinc/58/68/81/955586881.db2.gz DVFNOJKEJJQOAJ-IBGZPJMESA-N 0 1 376.888 3.197 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840998496 955586893 /nfs/dbraw/zinc/58/68/93/955586893.db2.gz DVFNOJKEJJQOAJ-IBGZPJMESA-N 0 1 376.888 3.197 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC001594538000 955596606 /nfs/dbraw/zinc/59/66/06/955596606.db2.gz NNRCQUVEDBQSTI-MSOLQXFVSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)cn1 ZINC001594539447 955618881 /nfs/dbraw/zinc/61/88/81/955618881.db2.gz VJGSVSXBVJXGIL-ZWKOTPCHSA-N 0 1 399.491 3.066 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039598 955619195 /nfs/dbraw/zinc/61/91/95/955619195.db2.gz CIQGQJRCFNUIPC-GOEBONIOSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039598 955619200 /nfs/dbraw/zinc/61/92/00/955619200.db2.gz CIQGQJRCFNUIPC-GOEBONIOSA-N 0 1 390.915 3.443 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)cn1 ZINC001594539510 955620704 /nfs/dbraw/zinc/62/07/04/955620704.db2.gz WCODVDDHIOPXGJ-ZWKOTPCHSA-N 0 1 399.491 3.066 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)cn1 ZINC001594539991 955627875 /nfs/dbraw/zinc/62/78/75/955627875.db2.gz YIAIAOYWOQZKMD-ZWKOTPCHSA-N 0 1 399.491 3.066 20 0 GGADMN C[C@](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589053915 955681139 /nfs/dbraw/zinc/68/11/39/955681139.db2.gz MIHXMOPAROXXMF-DENIHFKCSA-N 0 1 387.524 3.125 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c2ncccc12 ZINC001593877474 955689320 /nfs/dbraw/zinc/68/93/20/955689320.db2.gz QJTQMGHXIWLCKE-VQTJNVASSA-N 0 1 390.439 3.322 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1Br ZINC001593877490 955690790 /nfs/dbraw/zinc/69/07/90/955690790.db2.gz RJQSJYHDYCZQBX-CYBMUJFWSA-N 0 1 384.270 3.455 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c2ncccc12 ZINC001593877599 955692427 /nfs/dbraw/zinc/69/24/27/955692427.db2.gz VHRFHFSTAFGFCS-IBGZPJMESA-N 0 1 376.412 3.205 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271060 955701712 /nfs/dbraw/zinc/70/17/12/955701712.db2.gz QSYXHCCKZMISEJ-YOEHRIQHSA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271060 955701720 /nfs/dbraw/zinc/70/17/20/955701720.db2.gz QSYXHCCKZMISEJ-YOEHRIQHSA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000846280535 955704604 /nfs/dbraw/zinc/70/46/04/955704604.db2.gz FOCDETYAUPIOBX-UONOGXRCSA-N 0 1 375.387 3.164 20 0 GGADMN COC(=O)c1ccc(OCC[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001593886396 955752710 /nfs/dbraw/zinc/75/27/10/955752710.db2.gz UNVAORKAPCYVLL-INIZCTEOSA-N 0 1 389.835 3.189 20 0 GGADMN CC(C)N(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001603056706 972125097 /nfs/dbraw/zinc/12/50/97/972125097.db2.gz RTJYQIMLAIJAGD-FQEVSTJZSA-N 0 1 380.488 3.439 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000851649971 955791997 /nfs/dbraw/zinc/79/19/97/955791997.db2.gz AGHJFXUKNWKHGZ-SIKLNZKXSA-N 0 1 389.540 3.335 20 0 GGADMN O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852732573 955837476 /nfs/dbraw/zinc/83/74/76/955837476.db2.gz FJPLGWSKDRWDEC-MWQQHZPXSA-N 0 1 398.425 3.166 20 0 GGADMN O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852732573 955837490 /nfs/dbraw/zinc/83/74/90/955837490.db2.gz FJPLGWSKDRWDEC-MWQQHZPXSA-N 0 1 398.425 3.166 20 0 GGADMN O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000852732573 955837498 /nfs/dbraw/zinc/83/74/98/955837498.db2.gz FJPLGWSKDRWDEC-MWQQHZPXSA-N 0 1 398.425 3.166 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001594580695 955963685 /nfs/dbraw/zinc/96/36/85/955963685.db2.gz BOMBOJVFBKVEOD-UHFFFAOYSA-N 0 1 386.452 3.024 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001594580695 955963695 /nfs/dbraw/zinc/96/36/95/955963695.db2.gz BOMBOJVFBKVEOD-UHFFFAOYSA-N 0 1 386.452 3.024 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001594581156 955971682 /nfs/dbraw/zinc/97/16/82/955971682.db2.gz LTXWTNNWVGZEFE-ZDUSSCGKSA-N 0 1 378.270 3.088 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001594583717 955993520 /nfs/dbraw/zinc/99/35/20/955993520.db2.gz YGKZMRUIVXPDBV-AWEZNQCLSA-N 0 1 382.489 3.137 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001594583718 955994182 /nfs/dbraw/zinc/99/41/82/955994182.db2.gz YGKZMRUIVXPDBV-CQSZACIVSA-N 0 1 382.489 3.137 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001603074712 972141675 /nfs/dbraw/zinc/14/16/75/972141675.db2.gz VSKHCHDHHWLFRA-DLBZAZTESA-N 0 1 392.496 3.134 20 0 GGADMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000868468448 956048027 /nfs/dbraw/zinc/04/80/27/956048027.db2.gz WMDFUVCZRSMRKN-HXUWFJFHSA-N 0 1 396.487 3.277 20 0 GGADMN C[C@H](c1cccc(Br)c1)[N@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873643925 956077208 /nfs/dbraw/zinc/07/72/08/956077208.db2.gz ACDQJUQBCGKKCW-BPLDGKMQSA-N 0 1 392.297 3.434 20 0 GGADMN C[C@H](c1cccc(Br)c1)[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873643929 956078809 /nfs/dbraw/zinc/07/88/09/956078809.db2.gz ACDQJUQBCGKKCW-VHDGCEQUSA-N 0 1 392.297 3.434 20 0 GGADMN Cc1ccc(-c2cnc(C[N@@H+]3C[C@H](C(=O)[O-])C[C@H](c4cnn(C)c4)C3)o2)cc1 ZINC000873645945 956090914 /nfs/dbraw/zinc/09/09/14/956090914.db2.gz TZGPLGHKTHCOPJ-DLBZAZTESA-N 0 1 380.448 3.074 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)cn1 ZINC000874049029 956112992 /nfs/dbraw/zinc/11/29/92/956112992.db2.gz GCXNVGLWLMDNBU-STQMWFEESA-N 0 1 385.361 3.268 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cnn(CC2CCC2)c1 ZINC001589131274 956193055 /nfs/dbraw/zinc/19/30/55/956193055.db2.gz GZDROSXOJFLBDZ-NVXWUHKLSA-N 0 1 386.496 3.428 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)CCCCC1 ZINC000874421606 956216209 /nfs/dbraw/zinc/21/62/09/956216209.db2.gz KIOFDHUEJCTTFI-NRFANRHFSA-N 0 1 387.524 3.328 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C2)cn1 ZINC000883410011 956239115 /nfs/dbraw/zinc/23/91/15/956239115.db2.gz MNCGYBHCLZDSGR-GJZGRUSLSA-N 0 1 384.867 3.312 20 0 GGADMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000883413569 956242296 /nfs/dbraw/zinc/24/22/96/956242296.db2.gz URTNPWWKXPFBPE-UHFFFAOYSA-N 0 1 379.359 3.207 20 0 GGADMN C[C@@](O)(C[N@H+]1CCC[C@H](CC(=O)[O-])C1)c1ccc(Br)cc1Cl ZINC001589139164 956257925 /nfs/dbraw/zinc/25/79/25/956257925.db2.gz YZMYRLMDHUAPPX-BDJLRTHQSA-N 0 1 390.705 3.497 20 0 GGADMN C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000898847686 956269276 /nfs/dbraw/zinc/26/92/76/956269276.db2.gz YFCNPSOBNLVFKY-WZONZLPQSA-N 0 1 395.503 3.117 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000901512917 956332514 /nfs/dbraw/zinc/33/25/14/956332514.db2.gz MVFAMDAVZGDAHZ-KRWDZBQOSA-N 0 1 378.270 3.240 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000901512918 956332936 /nfs/dbraw/zinc/33/29/36/956332936.db2.gz MVFAMDAVZGDAHZ-QGZVFWFLSA-N 0 1 378.270 3.240 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000901575676 956349125 /nfs/dbraw/zinc/34/91/25/956349125.db2.gz SKWCWBRIBUTPQO-PMACEKPBSA-N 0 1 384.520 3.392 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901613183 956374803 /nfs/dbraw/zinc/37/48/03/956374803.db2.gz HRJTWMILSMXWSP-HZPDHXFCSA-N 0 1 385.291 3.185 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000901653141 956404688 /nfs/dbraw/zinc/40/46/88/956404688.db2.gz XXLXLZPRESUPNC-CWJKEVGVSA-N 0 1 386.536 3.350 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000901700322 956425167 /nfs/dbraw/zinc/42/51/67/956425167.db2.gz QDARVRNAEIKURO-OYNPSCLESA-N 0 1 386.536 3.350 20 0 GGADMN COC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1cccc(OC)c1 ZINC001593957046 956440161 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/nfs/dbraw/zinc/12/88/78/957128878.db2.gz RULKLJPWVJOUFL-DLBZAZTESA-N 0 1 399.516 3.175 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000926024894 957138500 /nfs/dbraw/zinc/13/85/00/957138500.db2.gz CKABFQZJIVVZCL-IERDGZPVSA-N 0 1 389.496 3.189 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000926024900 957138953 /nfs/dbraw/zinc/13/89/53/957138953.db2.gz CKABFQZJIVVZCL-KKSFZXQISA-N 0 1 389.496 3.189 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000926024890 957139137 /nfs/dbraw/zinc/13/91/37/957139137.db2.gz CKABFQZJIVVZCL-HRAATJIYSA-N 0 1 389.496 3.189 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001120521176 957202476 /nfs/dbraw/zinc/20/24/76/957202476.db2.gz CUBOUAVQGJIABN-KPLVRAHFSA-N 0 1 387.524 3.183 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)[C@H]1c1cccs1 ZINC001121897959 957225589 /nfs/dbraw/zinc/22/55/89/957225589.db2.gz SOSBLZYGXHASBR-MDZRGWNJSA-N 0 1 393.553 3.417 20 0 GGADMN Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(N2CCCC2)[nH+]1 ZINC001121918834 957234237 /nfs/dbraw/zinc/23/42/37/957234237.db2.gz QCLNQSNXIARSCW-MOPGFXCFSA-N 0 1 394.475 3.103 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001263061792 957281518 /nfs/dbraw/zinc/28/15/18/957281518.db2.gz BPILYDYJAUQDEN-QFBILLFUSA-N 0 1 387.524 3.281 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001263061793 957282053 /nfs/dbraw/zinc/28/20/53/957282053.db2.gz BPILYDYJAUQDEN-VQIMIIECSA-N 0 1 387.524 3.281 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[O-] ZINC001263071141 957289641 /nfs/dbraw/zinc/28/96/41/957289641.db2.gz RTKLFVMGDOCAPX-RAFMOHDBSA-N 0 1 387.524 3.228 20 0 GGADMN O=C([O-])c1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000389980276 972259028 /nfs/dbraw/zinc/25/90/28/972259028.db2.gz KIQJXHBPSDCPCJ-INIZCTEOSA-N 0 1 375.856 3.136 20 0 GGADMN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001594271712 957681019 /nfs/dbraw/zinc/68/10/19/957681019.db2.gz MNHPOPPTAWGXDU-CABCVRRESA-N 0 1 392.297 3.181 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@@H+](C)CCC(=O)[O-])cc1Br ZINC001594025713 957718095 /nfs/dbraw/zinc/71/80/95/957718095.db2.gz XIAHFNIEXZWMCL-JTQLQIEISA-N 0 1 378.238 3.176 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC001332339415 957755285 /nfs/dbraw/zinc/75/52/85/957755285.db2.gz JCGHHRIMMLKQKS-DYVFJYSZSA-N 0 1 399.516 3.050 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cs1 ZINC001332338444 957755895 /nfs/dbraw/zinc/75/58/95/957755895.db2.gz DNQCGAHYVSBLFI-DYVFJYSZSA-N 0 1 399.516 3.193 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C2 ZINC001574777327 957769775 /nfs/dbraw/zinc/76/97/75/957769775.db2.gz AQCBXJJTGSMFHG-FZMZJTMJSA-N 0 1 394.187 3.001 20 0 GGADMN O=C([O-])c1c[nH]nc1NC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001574787163 957790246 /nfs/dbraw/zinc/79/02/46/957790246.db2.gz CPHAJQNQVWEVOX-GOSISDBHSA-N 0 1 396.422 3.087 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000390553864 972293352 /nfs/dbraw/zinc/29/33/52/972293352.db2.gz PSJZPACDHGTPBJ-GFCCVEGCSA-N 0 1 377.391 3.305 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC001594289108 957807172 /nfs/dbraw/zinc/80/71/72/957807172.db2.gz PXHNFHWVQUBKSU-FQEVSTJZSA-N 0 1 379.460 3.230 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC001335383306 957812449 /nfs/dbraw/zinc/81/24/49/957812449.db2.gz SXDBOKHAMBHLDC-GUYCJALGSA-N 0 1 399.516 3.050 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC001335381088 957813239 /nfs/dbraw/zinc/81/32/39/957813239.db2.gz IQSLAIFFXATSSN-GDBMZVCRSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC001335381088 957813249 /nfs/dbraw/zinc/81/32/49/957813249.db2.gz IQSLAIFFXATSSN-GDBMZVCRSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC001335381093 957813514 /nfs/dbraw/zinc/81/35/14/957813514.db2.gz IQSLAIFFXATSSN-HOCLYGCPSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC001335381093 957813527 /nfs/dbraw/zinc/81/35/27/957813527.db2.gz IQSLAIFFXATSSN-HOCLYGCPSA-N 0 1 387.505 3.175 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC001335509118 957816548 /nfs/dbraw/zinc/81/65/48/957816548.db2.gz JOCVYOAMRFGJDY-KNQAVFIVSA-N 0 1 387.524 3.183 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC001335509119 957817197 /nfs/dbraw/zinc/81/71/97/957817197.db2.gz JOCVYOAMRFGJDY-SIKLNZKXSA-N 0 1 387.524 3.183 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001574799250 957829041 /nfs/dbraw/zinc/82/90/41/957829041.db2.gz DSOBMNFNKVEJAO-PYHFOVLWSA-N 0 1 380.444 3.116 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001339710605 957865591 /nfs/dbraw/zinc/86/55/91/957865591.db2.gz SCAZZYOJGGKDGH-WTLGNFPFSA-N 0 1 387.524 3.355 20 0 GGADMN C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001339942932 957908466 /nfs/dbraw/zinc/90/84/66/957908466.db2.gz BLIXQJORJFVRNO-FWZVCBSNSA-N 0 1 399.535 3.324 20 0 GGADMN C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001339942940 957910496 /nfs/dbraw/zinc/91/04/96/957910496.db2.gz BLIXQJORJFVRNO-XCDJFROHSA-N 0 1 399.535 3.324 20 0 GGADMN Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cnc1Br ZINC001594303098 957929269 /nfs/dbraw/zinc/92/92/69/957929269.db2.gz KCXJAYAOAHPZKB-JKSUJKDBSA-N 0 1 375.266 3.453 20 0 GGADMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)ccc1C(F)(F)F ZINC001594303534 957934258 /nfs/dbraw/zinc/93/42/58/957934258.db2.gz VZNNTQXFBKBQAQ-CABCVRRESA-N 0 1 381.398 3.438 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001341243658 957957324 /nfs/dbraw/zinc/95/73/24/957957324.db2.gz IWDUDGKHLUHGSD-VQTJNVASSA-N 0 1 387.524 3.185 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001341341532 957975522 /nfs/dbraw/zinc/97/55/22/957975522.db2.gz HYOXPPUVMWVGJT-SFTDATJTSA-N 0 1 393.487 3.135 20 0 GGADMN C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001343120174 958030068 /nfs/dbraw/zinc/03/00/68/958030068.db2.gz XLRKAUMAMWGMOQ-ZAWLATJESA-N 0 1 387.524 3.038 20 0 GGADMN C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001343120174 958030084 /nfs/dbraw/zinc/03/00/84/958030084.db2.gz XLRKAUMAMWGMOQ-ZAWLATJESA-N 0 1 387.524 3.038 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001343148930 958039670 /nfs/dbraw/zinc/03/96/70/958039670.db2.gz XLQZJTNKBJUGBB-SFTDATJTSA-N 0 1 393.487 3.135 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001343148927 958040529 /nfs/dbraw/zinc/04/05/29/958040529.db2.gz XLQZJTNKBJUGBB-LEWJYISDSA-N 0 1 393.487 3.135 20 0 GGADMN Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)cc1 ZINC001350324003 958103904 /nfs/dbraw/zinc/10/39/04/958103904.db2.gz VJDCUOHAUWEZTN-FQEVSTJZSA-N 0 1 389.540 3.349 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988536 958130675 /nfs/dbraw/zinc/13/06/75/958130675.db2.gz NOISEXWRCOJNGJ-YDPGBSGYSA-N 0 1 393.487 3.434 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001352988532 958131305 /nfs/dbraw/zinc/13/13/05/958131305.db2.gz NOISEXWRCOJNGJ-UWGQAIRJSA-N 0 1 393.487 3.434 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001353128355 958143655 /nfs/dbraw/zinc/14/36/55/958143655.db2.gz ZRIGTUUFHBEDEJ-MISYRCLQSA-N 0 1 387.524 3.041 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)o1 ZINC001594069407 958169564 /nfs/dbraw/zinc/16/95/64/958169564.db2.gz DZJJQBNFUULVOZ-CZUORRHYSA-N 0 1 381.432 3.441 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001521145189 958211855 /nfs/dbraw/zinc/21/18/55/958211855.db2.gz OTHSOQWUPYKWFC-GJJHYRHESA-N 0 1 387.524 3.357 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001521240228 958232653 /nfs/dbraw/zinc/23/26/53/958232653.db2.gz CFMHAKLAWMNCRP-UXHICEINSA-N 0 1 387.524 3.453 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC001523010203 958236754 /nfs/dbraw/zinc/23/67/54/958236754.db2.gz NWJFHPMAICVAQZ-PXNSSMCTSA-N 0 1 378.900 3.408 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC001523010203 958236767 /nfs/dbraw/zinc/23/67/67/958236767.db2.gz NWJFHPMAICVAQZ-PXNSSMCTSA-N 0 1 378.900 3.408 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001523010239 958237263 /nfs/dbraw/zinc/23/72/63/958237263.db2.gz OQUMQFNUFBJVTH-WIYYLYMNSA-N 0 1 376.472 3.284 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001523010239 958237281 /nfs/dbraw/zinc/23/72/81/958237281.db2.gz OQUMQFNUFBJVTH-WIYYLYMNSA-N 0 1 376.472 3.284 20 0 GGADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC001594081208 958269149 /nfs/dbraw/zinc/26/91/49/958269149.db2.gz XVNDVSMIQIMBIB-KKSFZXQISA-N 0 1 392.496 3.100 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC001549338957 958283399 /nfs/dbraw/zinc/28/33/99/958283399.db2.gz QCNXOMJIHGNRSV-JSGCOSHPSA-N 0 1 383.288 3.257 20 0 GGADMN Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)C2)cc1 ZINC001594354365 958398512 /nfs/dbraw/zinc/39/85/12/958398512.db2.gz SWWUDAGCFIIPMG-LJQANCHMSA-N 0 1 397.475 3.172 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2c(C(=O)[O-])cnn2C)C1 ZINC001594096647 958410792 /nfs/dbraw/zinc/41/07/92/958410792.db2.gz LBSQCLVSWIDQDS-ZDUSSCGKSA-N 0 1 377.872 3.235 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3[C@H](C)CCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC001594355575 958413091 /nfs/dbraw/zinc/41/30/91/958413091.db2.gz KONFIMOCMFHKMN-WIYYLYMNSA-N 0 1 386.536 3.494 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC001594355575 958413095 /nfs/dbraw/zinc/41/30/95/958413095.db2.gz KONFIMOCMFHKMN-WIYYLYMNSA-N 0 1 386.536 3.494 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)C2)s1 ZINC001594359989 958437896 /nfs/dbraw/zinc/43/78/96/958437896.db2.gz GBXUUTLQZYOKOD-HNNXBMFYSA-N 0 1 392.565 3.474 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360352 958443957 /nfs/dbraw/zinc/44/39/57/958443957.db2.gz VQGDKJSDIGGJLG-UXHICEINSA-N 0 1 397.519 3.253 20 0 GGADMN Cc1ccc(C[N@H+]2CC[C@H](NCc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)cc1 ZINC001594360352 958443962 /nfs/dbraw/zinc/44/39/62/958443962.db2.gz VQGDKJSDIGGJLG-UXHICEINSA-N 0 1 397.519 3.253 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594363380 958473856 /nfs/dbraw/zinc/47/38/56/958473856.db2.gz TYVJWGWVYWPZPG-OKZBNKHCSA-N 0 1 389.879 3.188 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1cccc2c(Br)cccc12)[C@@H](C)C(=O)[O-] ZINC001573353366 958574579 /nfs/dbraw/zinc/57/45/79/958574579.db2.gz ZOSHDFUTUBUUIN-LBPRGKRZSA-N 0 1 393.281 3.014 20 0 GGADMN Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594382584 958647179 /nfs/dbraw/zinc/64/71/79/958647179.db2.gz FTHXEWLBBADUDN-IAGOWNOFSA-N 0 1 394.393 3.244 20 0 GGADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594382584 958647181 /nfs/dbraw/zinc/64/71/81/958647181.db2.gz FTHXEWLBBADUDN-IAGOWNOFSA-N 0 1 394.393 3.244 20 0 GGADMN Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594382586 958647451 /nfs/dbraw/zinc/64/74/51/958647451.db2.gz FTHXEWLBBADUDN-SJORKVTESA-N 0 1 394.393 3.244 20 0 GGADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594382586 958647456 /nfs/dbraw/zinc/64/74/56/958647456.db2.gz FTHXEWLBBADUDN-SJORKVTESA-N 0 1 394.393 3.244 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC001603234987 972368821 /nfs/dbraw/zinc/36/88/21/972368821.db2.gz ZVIUIGNNIOGUPL-HZPDHXFCSA-N 0 1 392.496 3.389 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC001603234988 972368948 /nfs/dbraw/zinc/36/89/48/972368948.db2.gz ZVIUIGNNIOGUPL-JKSUJKDBSA-N 0 1 392.496 3.389 20 0 GGADMN O=C([O-])C1(CC[N@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CCC1 ZINC001605732113 972369455 /nfs/dbraw/zinc/36/94/55/972369455.db2.gz WEPVYRKUZJESPX-GJZGRUSLSA-N 0 1 390.446 3.287 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001573406870 958735361 /nfs/dbraw/zinc/73/53/61/958735361.db2.gz HVCANTXQVUTGSE-BTYIYWSLSA-N 0 1 376.472 3.269 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001573412944 958747598 /nfs/dbraw/zinc/74/75/98/958747598.db2.gz BFEPRFKEZXLHBE-AWEZNQCLSA-N 0 1 393.484 3.086 20 0 GGADMN CC(=O)Nc1cccc2c1C[N@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)CC2 ZINC001588523151 958847309 /nfs/dbraw/zinc/84/73/09/958847309.db2.gz NPSRYEXODVFPEF-KRWDZBQOSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)CC2 ZINC001588523151 958847329 /nfs/dbraw/zinc/84/73/29/958847329.db2.gz NPSRYEXODVFPEF-KRWDZBQOSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)C2 ZINC001588523455 958848775 /nfs/dbraw/zinc/84/87/75/958848775.db2.gz QGJRYGQDXOGUGX-KRWDZBQOSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)C2 ZINC001588523455 958848790 /nfs/dbraw/zinc/84/87/90/958848790.db2.gz QGJRYGQDXOGUGX-KRWDZBQOSA-N 0 1 397.475 3.097 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001573489957 959008606 /nfs/dbraw/zinc/00/86/06/959008606.db2.gz SLISFZXETUPBDL-IEBWSBKVSA-N 0 1 386.517 3.321 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001573489957 959008626 /nfs/dbraw/zinc/00/86/26/959008626.db2.gz SLISFZXETUPBDL-IEBWSBKVSA-N 0 1 386.517 3.321 20 0 GGADMN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC001588557976 959075149 /nfs/dbraw/zinc/07/51/49/959075149.db2.gz MLERGIUNVDFPLC-CYBMUJFWSA-N 0 1 389.477 3.124 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+](C)CCCC(=O)[O-] ZINC001588560304 959094151 /nfs/dbraw/zinc/09/41/51/959094151.db2.gz IPTWVOZQEABSKH-OAHLLOKOSA-N 0 1 387.505 3.498 20 0 GGADMN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588561414 959101781 /nfs/dbraw/zinc/10/17/81/959101781.db2.gz YUAURDLHDPPQPC-CWRNSKLLSA-N 0 1 395.484 3.424 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588561415 959101886 /nfs/dbraw/zinc/10/18/86/959101886.db2.gz YUAURDLHDPPQPC-VNQPRFMTSA-N 0 1 395.484 3.424 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573516755 959102029 /nfs/dbraw/zinc/10/20/29/959102029.db2.gz GVAJKNCZZICXNP-PCCBWWKXSA-N 0 1 386.536 3.289 20 0 GGADMN CC(C)C[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001573529342 959158030 /nfs/dbraw/zinc/15/80/30/959158030.db2.gz OKOLITIDYYZFGT-GOSISDBHSA-N 0 1 385.508 3.023 20 0 GGADMN CC(C)N(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001573543645 959195012 /nfs/dbraw/zinc/19/50/12/959195012.db2.gz JYDHZOMWWGXLDL-FQEVSTJZSA-N 0 1 396.487 3.275 20 0 GGADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001573547419 959217081 /nfs/dbraw/zinc/21/70/81/959217081.db2.gz OPDPVJHUWBREGW-BBRMVZONSA-N 0 1 395.297 3.227 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000178897844 959431707 /nfs/dbraw/zinc/43/17/07/959431707.db2.gz WXYXCLHPYWRXMR-MRVPVSSYSA-N 0 1 384.276 3.069 20 0 GGADMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000178897831 959432853 /nfs/dbraw/zinc/43/28/53/959432853.db2.gz WXYXCLHPYWRXMR-QMMMGPOBSA-N 0 1 384.276 3.069 20 0 GGADMN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001594227300 959432908 /nfs/dbraw/zinc/43/29/08/959432908.db2.gz AXVVDXBKSDNPRZ-NQUSWDTJSA-N 0 1 396.462 3.021 20 0 GGADMN O=C([O-])c1ccccc1OCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000183931618 959458233 /nfs/dbraw/zinc/45/82/33/959458233.db2.gz QEGRXSRIZQRRFG-UHFFFAOYSA-N 0 1 392.858 3.374 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001594476540 959602668 /nfs/dbraw/zinc/60/26/68/959602668.db2.gz KGBKTRIOWSUSBP-SJCJKPOMSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001594477619 959613201 /nfs/dbraw/zinc/61/32/01/959613201.db2.gz LFNDNCWOGNRBFM-WFASDCNBSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC001594477638 959614250 /nfs/dbraw/zinc/61/42/50/959614250.db2.gz LUXPVPZKTZTGGA-GFCCVEGCSA-N 0 1 378.270 3.381 20 0 GGADMN CN(C)Cc1ccc(C[NH2+]Cc2ccccc2C(=O)[O-])c2c1OC(F)(F)O2 ZINC001604074774 972464348 /nfs/dbraw/zinc/46/43/48/972464348.db2.gz DENLDGNCENCMOD-UHFFFAOYSA-N 0 1 378.375 3.058 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1Cl ZINC001605769116 972462784 /nfs/dbraw/zinc/46/27/84/972462784.db2.gz RAVZHNUUPDMEEM-GFCCVEGCSA-N 0 1 383.851 3.421 20 0 GGADMN COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001574232169 960414280 /nfs/dbraw/zinc/41/42/80/960414280.db2.gz DENWTOZRIXIYPW-WMLDXEAASA-N 0 1 386.448 3.203 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001123277156 960433867 /nfs/dbraw/zinc/43/38/67/960433867.db2.gz FBRHTJUCJWAEFT-CTNGQTDRSA-N 0 1 382.504 3.320 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)C1 ZINC001123283942 960438215 /nfs/dbraw/zinc/43/82/15/960438215.db2.gz BPUYCVWDLMOEIP-YESZJQIVSA-N 0 1 398.425 3.010 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cccc(OCC(=O)[O-])c3)sc2C1 ZINC001588660901 960440622 /nfs/dbraw/zinc/44/06/22/960440622.db2.gz KKCXMBQUZAMGFB-UHFFFAOYSA-N 0 1 389.477 3.015 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001123294114 960448560 /nfs/dbraw/zinc/44/85/60/960448560.db2.gz YRJSYADXOFFPIT-JENIJYKNSA-N 0 1 388.508 3.313 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001588666558 960454230 /nfs/dbraw/zinc/45/42/30/960454230.db2.gz DWBLMUUMZVCLAD-JKSUJKDBSA-N 0 1 392.496 3.134 20 0 GGADMN CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC001123380074 960462105 /nfs/dbraw/zinc/46/21/05/960462105.db2.gz KFKUERHLBGESFK-NHCUHLMSSA-N 0 1 382.504 3.321 20 0 GGADMN CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588668120 960475843 /nfs/dbraw/zinc/47/58/43/960475843.db2.gz XEOQNQSBODOPTR-QVKFZJNVSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001588668106 960476420 /nfs/dbraw/zinc/47/64/20/960476420.db2.gz WYWNVMQBCVRRES-MRXNPFEDSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588668121 960476618 /nfs/dbraw/zinc/47/66/18/960476618.db2.gz XEOQNQSBODOPTR-VFNWGFHPSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588670306 960506214 /nfs/dbraw/zinc/50/62/14/960506214.db2.gz RUWDJSYMLHVRID-NRFANRHFSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588670306 960506229 /nfs/dbraw/zinc/50/62/29/960506229.db2.gz RUWDJSYMLHVRID-NRFANRHFSA-N 0 1 392.496 3.277 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748106 960514081 /nfs/dbraw/zinc/51/40/81/960514081.db2.gz HRMTXLGFNKHERC-JXFKEZNVSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748107 960515310 /nfs/dbraw/zinc/51/53/10/960515310.db2.gz HRMTXLGFNKHERC-OXJNMPFZSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748108 960515423 /nfs/dbraw/zinc/51/54/23/960515423.db2.gz HRMTXLGFNKHERC-OXQOHEQNSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573748177 960517187 /nfs/dbraw/zinc/51/71/87/960517187.db2.gz JORXSTJBKOFGCO-LALPHHSUSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573748177 960517200 /nfs/dbraw/zinc/51/72/00/960517200.db2.gz JORXSTJBKOFGCO-LALPHHSUSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001573749529 960538649 /nfs/dbraw/zinc/53/86/49/960538649.db2.gz QGTSMPUNQQEFAC-HWWDLCQESA-N 0 1 382.464 3.058 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001588675361 960538662 /nfs/dbraw/zinc/53/86/62/960538662.db2.gz QZMIUMRXVWGLGO-CQSZACIVSA-N 0 1 397.903 3.269 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001588675361 960538680 /nfs/dbraw/zinc/53/86/80/960538680.db2.gz QZMIUMRXVWGLGO-CQSZACIVSA-N 0 1 397.903 3.269 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H](CC(=O)[O-])C2)[C@H](O)c2ccccc21 ZINC001588675749 960541283 /nfs/dbraw/zinc/54/12/83/960541283.db2.gz AGNQVXOQKYQAFI-UCLAIMLFSA-N 0 1 390.480 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001588678337 960582772 /nfs/dbraw/zinc/58/27/72/960582772.db2.gz BSJXYUMJDZOXSF-NZSAHSFTSA-N 0 1 388.508 3.434 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001588678871 960593511 /nfs/dbraw/zinc/59/35/11/960593511.db2.gz HMSRIEUMZBMVLY-ZWKOTPCHSA-N 0 1 380.529 3.456 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231456756 960604776 /nfs/dbraw/zinc/60/47/76/960604776.db2.gz IBJKUKBIOPUEQT-HXUWFJFHSA-N 0 1 378.444 3.499 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231456756 960604793 /nfs/dbraw/zinc/60/47/93/960604793.db2.gz IBJKUKBIOPUEQT-HXUWFJFHSA-N 0 1 378.444 3.499 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001231789116 960620584 /nfs/dbraw/zinc/62/05/84/960620584.db2.gz JVZYYTJWJQRCIH-WBVHZDCISA-N 0 1 392.496 3.133 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)C[C@@H](C)C(=O)[O-])C1=O ZINC001574307812 960751618 /nfs/dbraw/zinc/75/16/18/960751618.db2.gz LKRSRKZNGOOYPJ-HIFRSBDPSA-N 0 1 397.313 3.214 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](C)C[C@H](C)C(=O)[O-] ZINC001574308284 960758641 /nfs/dbraw/zinc/75/86/41/960758641.db2.gz YEONCWWPTDXNGC-ZDUSSCGKSA-N 0 1 385.302 3.437 20 0 GGADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001604126535 972531308 /nfs/dbraw/zinc/53/13/08/972531308.db2.gz BBMPQYPXQHKEGL-LBPRGKRZSA-N 0 1 383.851 3.373 20 0 GGADMN Cc1oc(CN(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC001262176352 960807901 /nfs/dbraw/zinc/80/79/01/960807901.db2.gz KFNGGUUOSBDEDV-GOSISDBHSA-N 0 1 384.476 3.199 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001262561143 960852808 /nfs/dbraw/zinc/85/28/08/960852808.db2.gz MTSCYXZNZDFWNU-ORYQWCPZSA-N 0 1 399.535 3.171 20 0 GGADMN Cc1cc(Cl)ccc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629094 960875870 /nfs/dbraw/zinc/87/58/70/960875870.db2.gz QRKHFXRLUWKHPO-OAQYLSRUSA-N 0 1 386.879 3.498 20 0 GGADMN Cn1ccc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC001263629528 960876204 /nfs/dbraw/zinc/87/62/04/960876204.db2.gz GCRCWSPHIGDPML-QHCPKHFHSA-N 0 1 391.471 3.028 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2ccc3cccnc3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629662 960876418 /nfs/dbraw/zinc/87/64/18/960876418.db2.gz KXEQKSNQUNFTKJ-HSZRJFAPSA-N 0 1 389.455 3.084 20 0 GGADMN CC(C)(C)OC(=O)NC1(CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)CCOCC1 ZINC001588708666 960896540 /nfs/dbraw/zinc/89/65/40/960896540.db2.gz QOOPCCGOMJTCFC-INIZCTEOSA-N 0 1 384.517 3.027 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000237555396 960960815 /nfs/dbraw/zinc/96/08/15/960960815.db2.gz YJCNQEBJJCHXMR-HNNXBMFYSA-N 0 1 384.501 3.040 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC001573822450 960973116 /nfs/dbraw/zinc/97/31/16/960973116.db2.gz LCZLLMRIAJDCLB-GUYCJALGSA-N 0 1 376.444 3.208 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC001573822448 960973836 /nfs/dbraw/zinc/97/38/36/960973836.db2.gz LCZLLMRIAJDCLB-CXAGYDPISA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001588726005 961049246 /nfs/dbraw/zinc/04/92/46/961049246.db2.gz VAWDLTCCLYUTOV-ZIAGYGMSSA-N 0 1 388.386 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001588726005 961049267 /nfs/dbraw/zinc/04/92/67/961049267.db2.gz VAWDLTCCLYUTOV-ZIAGYGMSSA-N 0 1 388.386 3.272 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)nn1 ZINC001588726371 961053395 /nfs/dbraw/zinc/05/33/95/961053395.db2.gz VOGUCCMYWZQEAE-INIZCTEOSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)nn1 ZINC001588726371 961053416 /nfs/dbraw/zinc/05/34/16/961053416.db2.gz VOGUCCMYWZQEAE-INIZCTEOSA-N 0 1 384.436 3.008 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c12 ZINC001326420978 961089176 /nfs/dbraw/zinc/08/91/76/961089176.db2.gz LQUDZLYVLIOCLN-ZDUSSCGKSA-N 0 1 385.493 3.199 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC001326984175 961138558 /nfs/dbraw/zinc/13/85/58/961138558.db2.gz LAUKPDOADIBQPS-LEWJYISDSA-N 0 1 378.472 3.223 20 0 GGADMN Cc1cccc([C@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)[O-])c1 ZINC001574392383 961191328 /nfs/dbraw/zinc/19/13/28/961191328.db2.gz SZNLEYKYQXTEIJ-FVJLSDCUSA-N 0 1 396.487 3.160 20 0 GGADMN Cc1cccc([C@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)[O-])c1 ZINC001574392383 961191340 /nfs/dbraw/zinc/19/13/40/961191340.db2.gz SZNLEYKYQXTEIJ-FVJLSDCUSA-N 0 1 396.487 3.160 20 0 GGADMN Cc1cccc([C@@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)[O-])c1 ZINC001574392384 961191691 /nfs/dbraw/zinc/19/16/91/961191691.db2.gz SZNLEYKYQXTEIJ-LLGFUMIMSA-N 0 1 396.487 3.160 20 0 GGADMN Cc1cccc([C@@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)[O-])c1 ZINC001574392384 961191703 /nfs/dbraw/zinc/19/17/03/961191703.db2.gz SZNLEYKYQXTEIJ-LLGFUMIMSA-N 0 1 396.487 3.160 20 0 GGADMN Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001327947376 961193443 /nfs/dbraw/zinc/19/34/43/961193443.db2.gz ZSKRRLFNDLZDME-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001327947376 961193468 /nfs/dbraw/zinc/19/34/68/961193468.db2.gz ZSKRRLFNDLZDME-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN CCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001573874200 961229286 /nfs/dbraw/zinc/22/92/86/961229286.db2.gz KXHQGSOKPKMQBS-CRAIPNDOSA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001573874288 961230086 /nfs/dbraw/zinc/23/00/86/961230086.db2.gz OACNNZPBVVZHQJ-NVXWUHKLSA-N 0 1 382.464 3.469 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1)C(C)C ZINC001573881759 961283408 /nfs/dbraw/zinc/28/34/08/961283408.db2.gz XNRGYWOXVRBMIP-GSVIPDFHSA-N 0 1 388.508 3.059 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001332035206 961456269 /nfs/dbraw/zinc/45/62/69/961456269.db2.gz YLFFTVASGZDWLY-WBVHZDCISA-N 0 1 383.366 3.203 20 0 GGADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)cn1 ZINC001574453279 961482435 /nfs/dbraw/zinc/48/24/35/961482435.db2.gz DLKADMPJDHCJNM-QZTJIDSGSA-N 0 1 392.459 3.298 20 0 GGADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(Oc4ccccn4)c3)C2)cn1 ZINC001574453281 961483116 /nfs/dbraw/zinc/48/31/16/961483116.db2.gz DLKADMPJDHCJNM-ZWKOTPCHSA-N 0 1 392.459 3.298 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001573919793 961522166 /nfs/dbraw/zinc/52/21/66/961522166.db2.gz JTCXISLPOFBCHP-UIAACRFSSA-N 0 1 382.460 3.213 20 0 GGADMN Cc1nn(-c2ccccc2F)cc1C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001333137921 961654704 /nfs/dbraw/zinc/65/47/04/961654704.db2.gz PUKWOABDQVBBKD-OCCSQVGLSA-N 0 1 385.361 3.405 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC001333220472 961666501 /nfs/dbraw/zinc/66/65/01/961666501.db2.gz WLIBWQWTWVCRBG-PBHICJAKSA-N 0 1 384.259 3.491 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC001333220475 961667009 /nfs/dbraw/zinc/66/70/09/961667009.db2.gz WLIBWQWTWVCRBG-WMLDXEAASA-N 0 1 384.259 3.491 20 0 GGADMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588827181 961678728 /nfs/dbraw/zinc/67/87/28/961678728.db2.gz NFQAORPGKIZXFH-WMZOPIPTSA-N 0 1 376.497 3.467 20 0 GGADMN CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588827180 961679263 /nfs/dbraw/zinc/67/92/63/961679263.db2.gz NFQAORPGKIZXFH-SJLPKXTDSA-N 0 1 376.497 3.467 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349224 961694535 /nfs/dbraw/zinc/69/45/35/961694535.db2.gz FDIOILUASFVQLQ-FXAWDEMLSA-N 0 1 379.460 3.041 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349224 961694538 /nfs/dbraw/zinc/69/45/38/961694538.db2.gz FDIOILUASFVQLQ-FXAWDEMLSA-N 0 1 379.460 3.041 20 0 GGADMN C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001333371111 961709958 /nfs/dbraw/zinc/70/99/58/961709958.db2.gz XTNWEIUALGYQRF-ZBEGNZNMSA-N 0 1 380.803 3.193 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001333371111 961709963 /nfs/dbraw/zinc/70/99/63/961709963.db2.gz XTNWEIUALGYQRF-ZBEGNZNMSA-N 0 1 380.803 3.193 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001334204951 961785481 /nfs/dbraw/zinc/78/54/81/961785481.db2.gz HZHLACRRODRUQD-XUVXKRRUSA-N 0 1 379.460 3.263 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001334204951 961785498 /nfs/dbraw/zinc/78/54/98/961785498.db2.gz HZHLACRRODRUQD-XUVXKRRUSA-N 0 1 379.460 3.263 20 0 GGADMN O=C([O-])c1cc2cccnc2c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001334329290 961800870 /nfs/dbraw/zinc/80/08/70/961800870.db2.gz BKYOFTUYHNYZEC-LJQANCHMSA-N 0 1 390.443 3.321 20 0 GGADMN O=C([O-])c1cc2cccnc2c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001334329290 961800886 /nfs/dbraw/zinc/80/08/86/961800886.db2.gz BKYOFTUYHNYZEC-LJQANCHMSA-N 0 1 390.443 3.321 20 0 GGADMN O=C([O-])C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000262684759 961807487 /nfs/dbraw/zinc/80/74/87/961807487.db2.gz XLXOMNNBHNBKJS-UHFFFAOYSA-N 0 1 398.303 3.459 20 0 GGADMN CC(C)[C@H]1[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC12CCOCC2 ZINC001588842770 961827820 /nfs/dbraw/zinc/82/78/20/961827820.db2.gz OAIXKWZTHVHUNC-LJQANCHMSA-N 0 1 376.497 3.218 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1ccco1 ZINC001574012938 961922142 /nfs/dbraw/zinc/92/21/42/961922142.db2.gz CSKLDKNGWWGKHQ-QGZVFWFLSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001574012938 961922156 /nfs/dbraw/zinc/92/21/56/961922156.db2.gz CSKLDKNGWWGKHQ-QGZVFWFLSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001574012938 961922167 /nfs/dbraw/zinc/92/21/67/961922167.db2.gz CSKLDKNGWWGKHQ-QGZVFWFLSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1ccco1 ZINC001574012937 961922925 /nfs/dbraw/zinc/92/29/25/961922925.db2.gz CSKLDKNGWWGKHQ-KRWDZBQOSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001574012937 961922938 /nfs/dbraw/zinc/92/29/38/961922938.db2.gz CSKLDKNGWWGKHQ-KRWDZBQOSA-N 0 1 389.496 3.128 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001574012937 961922953 /nfs/dbraw/zinc/92/29/53/961922953.db2.gz CSKLDKNGWWGKHQ-KRWDZBQOSA-N 0 1 389.496 3.128 20 0 GGADMN C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001574015951 961947661 /nfs/dbraw/zinc/94/76/61/961947661.db2.gz PVIFNVATRZYRSP-OAQYLSRUSA-N 0 1 395.503 3.485 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001574557049 961995876 /nfs/dbraw/zinc/99/58/76/961995876.db2.gz YHCCUHJJAUKZME-QGZVFWFLSA-N 0 1 390.480 3.287 20 0 GGADMN O=C([O-])CCCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262928995 962011792 /nfs/dbraw/zinc/01/17/92/962011792.db2.gz GGJNFBYTFCZUQX-QGZVFWFLSA-N 0 1 387.505 3.012 20 0 GGADMN O=C([O-])CCCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262928995 962011805 /nfs/dbraw/zinc/01/18/05/962011805.db2.gz GGJNFBYTFCZUQX-QGZVFWFLSA-N 0 1 387.505 3.012 20 0 GGADMN Cn1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c(C(F)F)n1 ZINC001339320843 962023592 /nfs/dbraw/zinc/02/35/92/962023592.db2.gz ZPWCWQJLAVPVKP-CYBMUJFWSA-N 0 1 388.212 3.378 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)C1 ZINC001339601436 962053666 /nfs/dbraw/zinc/05/36/66/962053666.db2.gz CVLQSAACEIVTEB-IYBDPMFKSA-N 0 1 398.507 3.057 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC001339722331 962068595 /nfs/dbraw/zinc/06/85/95/962068595.db2.gz BRPNPOFESYRLPU-AZUAARDMSA-N 0 1 387.524 3.183 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001588871316 962089099 /nfs/dbraw/zinc/08/90/99/962089099.db2.gz ZRAMOVRAESPOKR-UYAOXDASSA-N 0 1 385.439 3.410 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001588871313 962090386 /nfs/dbraw/zinc/09/03/86/962090386.db2.gz ZRAMOVRAESPOKR-AZUAARDMSA-N 0 1 385.439 3.410 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)Cc2ccccc21 ZINC001574580572 962104058 /nfs/dbraw/zinc/10/40/58/962104058.db2.gz SPNQRPQLJHXWAU-NRFANRHFSA-N 0 1 390.439 3.394 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1c(C(=O)[O-])cnn1C ZINC001588874647 962105783 /nfs/dbraw/zinc/10/57/83/962105783.db2.gz UGFIKHDHCUWDQH-HXUWFJFHSA-N 0 1 398.551 3.283 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1 ZINC001574584616 962107388 /nfs/dbraw/zinc/10/73/88/962107388.db2.gz AKEMCYKYJIAVKB-MSOLQXFVSA-N 0 1 388.414 3.086 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001341341596 962128726 /nfs/dbraw/zinc/12/87/26/962128726.db2.gz AZSZFAGVWVTHSK-QGZVFWFLSA-N 0 1 375.513 3.313 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001343024011 962153398 /nfs/dbraw/zinc/15/33/98/962153398.db2.gz WJMKOHVTRPCXFJ-OAQYLSRUSA-N 0 1 395.503 3.420 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001344446684 962172709 /nfs/dbraw/zinc/17/27/09/962172709.db2.gz HGSXJQSAMPMDHR-HXUWFJFHSA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001344446684 962172724 /nfs/dbraw/zinc/17/27/24/962172724.db2.gz HGSXJQSAMPMDHR-HXUWFJFHSA-N 0 1 382.435 3.468 20 0 GGADMN CC[C@H](C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001344485364 962176116 /nfs/dbraw/zinc/17/61/16/962176116.db2.gz QUAMFZCYZSHEDP-REWPJTCUSA-N 0 1 380.488 3.416 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001344521665 962184475 /nfs/dbraw/zinc/18/44/75/962184475.db2.gz CHRRUPRBSLNDPY-KSZLIROESA-N 0 1 378.900 3.087 20 0 GGADMN Cc1cc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC001345095479 962227440 /nfs/dbraw/zinc/22/74/40/962227440.db2.gz JATRYVDJJUQVDW-QHCPKHFHSA-N 0 1 391.471 3.097 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263088132 962236015 /nfs/dbraw/zinc/23/60/15/962236015.db2.gz IPLIOKVBJIMRQG-YLJYHZDGSA-N 0 1 388.508 3.326 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263090550 962238310 /nfs/dbraw/zinc/23/83/10/962238310.db2.gz ITXQCSTUGDZHER-INIZCTEOSA-N 0 1 381.538 3.335 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263090550 962238319 /nfs/dbraw/zinc/23/83/19/962238319.db2.gz ITXQCSTUGDZHER-INIZCTEOSA-N 0 1 381.538 3.335 20 0 GGADMN CC(C)C[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001588899475 962248176 /nfs/dbraw/zinc/24/81/76/962248176.db2.gz OKOLITIDYYZFGT-SFHVURJKSA-N 0 1 385.508 3.023 20 0 GGADMN CCc1sc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001345728173 962275656 /nfs/dbraw/zinc/27/56/56/962275656.db2.gz RVVVYIDOUHDUNP-NRFANRHFSA-N 0 1 386.517 3.468 20 0 GGADMN COc1cc(C)cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC001345745380 962280766 /nfs/dbraw/zinc/28/07/66/962280766.db2.gz JSJLFAGBIZAFGT-HSZRJFAPSA-N 0 1 396.487 3.161 20 0 GGADMN CC(C)N(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001588912143 962322826 /nfs/dbraw/zinc/32/28/26/962322826.db2.gz BOYDBMGVHDDSOG-HXUWFJFHSA-N 0 1 396.487 3.275 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2csc3c2CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001346258760 962333603 /nfs/dbraw/zinc/33/36/03/962333603.db2.gz GXAJKZCXHIXLPB-QFIPXVFZSA-N 0 1 398.528 3.476 20 0 GGADMN CSc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001346301102 962341006 /nfs/dbraw/zinc/34/10/06/962341006.db2.gz SCVVWPLWRNEUCB-QFIPXVFZSA-N 0 1 398.528 3.187 20 0 GGADMN CC(C)[N@@H+](CCOc1c(Br)cccc1Br)CC(=O)[O-] ZINC001588919095 962364399 /nfs/dbraw/zinc/36/43/99/962364399.db2.gz RJKITUWXLPYVDK-UHFFFAOYSA-N 0 1 395.091 3.385 20 0 GGADMN Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001346382641 962367414 /nfs/dbraw/zinc/36/74/14/962367414.db2.gz BLLDPVCFULSYNP-QUCCMNQESA-N 0 1 395.503 3.299 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001588923312 962414120 /nfs/dbraw/zinc/41/41/20/962414120.db2.gz QYNDETOQWYHHPG-UHFFFAOYSA-N 0 1 392.459 3.140 20 0 GGADMN C[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000263293117 962432425 /nfs/dbraw/zinc/43/24/25/962432425.db2.gz VRJDSUDRYOBQFE-FXAWDEMLSA-N 0 1 393.915 3.201 20 0 GGADMN C[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000263293117 962432443 /nfs/dbraw/zinc/43/24/43/962432443.db2.gz VRJDSUDRYOBQFE-FXAWDEMLSA-N 0 1 393.915 3.201 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CC[C@@H](O)C[C@@H]3c3ccccc3)o2)C1 ZINC001574651728 962436760 /nfs/dbraw/zinc/43/67/60/962436760.db2.gz HFDBKPFDLNXTEK-QWFCFKBJSA-N 0 1 384.476 3.279 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000263309277 962450871 /nfs/dbraw/zinc/45/08/71/962450871.db2.gz YHRRHOAAFOHUNM-QZTJIDSGSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000263309277 962450893 /nfs/dbraw/zinc/45/08/93/962450893.db2.gz YHRRHOAAFOHUNM-QZTJIDSGSA-N 0 1 387.867 3.283 20 0 GGADMN CO[C@@H](C[N@H+]1CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001574119586 962484814 /nfs/dbraw/zinc/48/48/14/962484814.db2.gz FLCMRCIBRJJWIC-WMZOPIPTSA-N 0 1 398.544 3.225 20 0 GGADMN CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001574120025 962489644 /nfs/dbraw/zinc/48/96/44/962489644.db2.gz MNHWKOQYDUREBG-GUYCJALGSA-N 0 1 390.402 3.124 20 0 GGADMN CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001574120025 962489655 /nfs/dbraw/zinc/48/96/55/962489655.db2.gz MNHWKOQYDUREBG-GUYCJALGSA-N 0 1 390.402 3.124 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001349931062 962493633 /nfs/dbraw/zinc/49/36/33/962493633.db2.gz DFLRPPZOJWVUKO-LPHOPBHVSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001349931062 962493639 /nfs/dbraw/zinc/49/36/39/962493639.db2.gz DFLRPPZOJWVUKO-LPHOPBHVSA-N 0 1 376.472 3.284 20 0 GGADMN Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001349996369 962530562 /nfs/dbraw/zinc/53/05/62/962530562.db2.gz LDLLPDJGEZWHPD-SFHVURJKSA-N 0 1 375.513 3.432 20 0 GGADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263378175 962534756 /nfs/dbraw/zinc/53/47/56/962534756.db2.gz BBANJZIQIHBCKY-HNNXBMFYSA-N 0 1 388.489 3.118 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263395077 962554731 /nfs/dbraw/zinc/55/47/31/962554731.db2.gz 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CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001354041406 962696529 /nfs/dbraw/zinc/69/65/29/962696529.db2.gz MZUYTNWKNHIJGS-IBGZPJMESA-N 0 1 381.476 3.437 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC001574709959 962701479 /nfs/dbraw/zinc/70/14/79/962701479.db2.gz KCLQKQJQPBUNFU-UHFFFAOYSA-N 0 1 381.476 3.274 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC001354071266 962713846 /nfs/dbraw/zinc/71/38/46/962713846.db2.gz CZSIUBRPXIEMPX-ZDUSSCGKSA-N 0 1 382.338 3.001 20 0 GGADMN C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263559189 962728431 /nfs/dbraw/zinc/72/84/31/962728431.db2.gz ASGWKFUUABPDJI-INIZCTEOSA-N 0 1 392.459 3.314 20 0 GGADMN Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C(=O)[O-])cc4)CC3)n2)cc1 ZINC000263576228 962743031 /nfs/dbraw/zinc/74/30/31/962743031.db2.gz QDKBSDFDWXVIKD-UHFFFAOYSA-N 0 1 392.459 3.061 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356632070 962749598 /nfs/dbraw/zinc/74/95/98/962749598.db2.gz UHMVTIAYQNEXLR-DFQSSKMNSA-N 0 1 387.524 3.183 20 0 GGADMN COc1cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc(C(F)(F)F)c1 ZINC001574182178 962817907 /nfs/dbraw/zinc/81/79/07/962817907.db2.gz RAEIDSYJSSPVMT-UONOGXRCSA-N 0 1 397.397 3.138 20 0 GGADMN C[C@](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001520167775 962824931 /nfs/dbraw/zinc/82/49/31/962824931.db2.gz VQGXOUXDNWUAMJ-NFBKMPQASA-N 0 1 398.478 3.339 20 0 GGADMN C[C@](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001520167775 962824945 /nfs/dbraw/zinc/82/49/45/962824945.db2.gz VQGXOUXDNWUAMJ-NFBKMPQASA-N 0 1 398.478 3.339 20 0 GGADMN O=C([O-])COc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC001574731467 962840609 /nfs/dbraw/zinc/84/06/09/962840609.db2.gz ARKQQHOOAZVVFU-LJQANCHMSA-N 0 1 394.427 3.004 20 0 GGADMN O=C([O-])COc1cccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC001574737642 962858463 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HGODCFACWNNMHW-QHCPKHFHSA-N 0 1 380.488 3.027 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cc3c(s2)CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001526687671 962874590 /nfs/dbraw/zinc/87/45/90/962874590.db2.gz HPMQJSVNDSTRED-QFIPXVFZSA-N 0 1 398.528 3.476 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001574202346 962896405 /nfs/dbraw/zinc/89/64/05/962896405.db2.gz YITPCKMDUXBTPK-SJLPKXTDSA-N 0 1 392.496 3.243 20 0 GGADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001574202344 962897115 /nfs/dbraw/zinc/89/71/15/962897115.db2.gz YITPCKMDUXBTPK-FUHWJXTLSA-N 0 1 392.496 3.243 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549036048 962929627 /nfs/dbraw/zinc/92/96/27/962929627.db2.gz JHQMPGKZGAOHGI-HZPDHXFCSA-N 0 1 388.851 3.087 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C ZINC001549037213 962936896 /nfs/dbraw/zinc/93/68/96/962936896.db2.gz OOAYZGVTHMHRBM-JCGIZDLHSA-N 0 1 382.460 3.206 20 0 GGADMN Cc1nn2c(C[N@@H+]3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)c(C)nc2s1 ZINC001553883526 963053211 /nfs/dbraw/zinc/05/32/11/963053211.db2.gz MIJAMLLRVBEZJV-LSDHHAIUSA-N 0 1 390.896 3.361 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccccc1C[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC000311518640 963485874 /nfs/dbraw/zinc/48/58/74/963485874.db2.gz CNZAQUGNHBMEEL-UHFFFAOYSA-N 0 1 377.466 3.156 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573438530 964071633 /nfs/dbraw/zinc/07/16/33/964071633.db2.gz ZZUGGHSRFYFWOP-GDBMZVCRSA-N 0 1 396.434 3.315 20 0 GGADMN O=C([O-])CNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000262242071 967815259 /nfs/dbraw/zinc/81/52/59/967815259.db2.gz OYXDNVPZYLWOND-UHFFFAOYSA-N 0 1 396.365 3.131 20 0 GGADMN O=C([O-])CNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000262242071 967815266 /nfs/dbraw/zinc/81/52/66/967815266.db2.gz OYXDNVPZYLWOND-UHFFFAOYSA-N 0 1 396.365 3.131 20 0 GGADMN C[C@H](CN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C(=O)[O-] ZINC000263062899 967841756 /nfs/dbraw/zinc/84/17/56/967841756.db2.gz SGBWOOQWDHASEL-IXDOHACOSA-N 0 1 375.513 3.027 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000263154868 967854721 /nfs/dbraw/zinc/85/47/21/967854721.db2.gz FPUHLNKDPWLAGA-ZDUSSCGKSA-N 0 1 375.494 3.354 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000263212401 967863358 /nfs/dbraw/zinc/86/33/58/967863358.db2.gz ZIBBDHWMBDXCEM-XJKSGUPXSA-N 0 1 384.398 3.388 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000263334588 967873227 /nfs/dbraw/zinc/87/32/27/967873227.db2.gz MERVMIVSOGUQFS-UKRRQHHQSA-N 0 1 390.867 3.259 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1C ZINC000263580923 967901568 /nfs/dbraw/zinc/90/15/68/967901568.db2.gz WMRGGCSXMHYVKT-HXUWFJFHSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1C ZINC000263580923 967901574 /nfs/dbraw/zinc/90/15/74/967901574.db2.gz WMRGGCSXMHYVKT-HXUWFJFHSA-N 0 1 387.505 3.470 20 0 GGADMN COc1ccc(NC(=O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)c(OC)c1 ZINC000363894531 968056372 /nfs/dbraw/zinc/05/63/72/968056372.db2.gz RUFYSZJCJAKUDD-UHFFFAOYSA-N 0 1 398.459 3.220 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000414636159 968340202 /nfs/dbraw/zinc/34/02/02/968340202.db2.gz JPZBRQBPGUIQRV-OAHLLOKOSA-N 0 1 388.489 3.118 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000424260464 968354327 /nfs/dbraw/zinc/35/43/27/968354327.db2.gz OAHWBNBAWLONEM-GOSISDBHSA-N 0 1 376.497 3.024 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000424428330 968366064 /nfs/dbraw/zinc/36/60/64/968366064.db2.gz XDIOXYDXEXSMEZ-SIKLNZKXSA-N 0 1 387.524 3.041 20 0 GGADMN CCC[N@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000455647044 968378896 /nfs/dbraw/zinc/37/88/96/968378896.db2.gz UDKFQIYPBMWXMA-CYBMUJFWSA-N 0 1 389.477 3.124 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000455647044 968378905 /nfs/dbraw/zinc/37/89/05/968378905.db2.gz UDKFQIYPBMWXMA-CYBMUJFWSA-N 0 1 389.477 3.124 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000576584008 968462150 /nfs/dbraw/zinc/46/21/50/968462150.db2.gz KOVGDOYUBRXFBR-XJKSGUPXSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000576584008 968462157 /nfs/dbraw/zinc/46/21/57/968462157.db2.gz KOVGDOYUBRXFBR-XJKSGUPXSA-N 0 1 387.505 3.175 20 0 GGADMN O=C([O-])CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000579831994 968470434 /nfs/dbraw/zinc/47/04/34/968470434.db2.gz VYZOPCVUMHAUFJ-UHFFFAOYSA-N 0 1 376.453 3.063 20 0 GGADMN COc1ccccc1C[N@@H+](CCOc1ccccc1C(=O)[O-])C[C@H]1CCCO1 ZINC000581588403 968475926 /nfs/dbraw/zinc/47/59/26/968475926.db2.gz VWVBUHQWGPTUJE-GOSISDBHSA-N 0 1 385.460 3.453 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)C2(CC(=O)[O-])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583753014 968481376 /nfs/dbraw/zinc/48/13/76/968481376.db2.gz KNZSPCDHNHWSME-GUYCJALGSA-N 0 1 382.863 3.233 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000629498091 968522705 /nfs/dbraw/zinc/52/27/05/968522705.db2.gz JXSJIBQGNQOFTF-VQIMIIECSA-N 0 1 378.472 3.493 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000635020392 968541462 /nfs/dbraw/zinc/54/14/62/968541462.db2.gz MUXXBDZPYVMSHZ-OPAMFIHVSA-N 0 1 398.459 3.229 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000635303000 968542158 /nfs/dbraw/zinc/54/21/58/968542158.db2.gz QVCPSKXGRHIATJ-UHFFFAOYSA-N 0 1 395.459 3.208 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000635303000 968542167 /nfs/dbraw/zinc/54/21/67/968542167.db2.gz QVCPSKXGRHIATJ-UHFFFAOYSA-N 0 1 395.459 3.208 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)cc1 ZINC000635519788 968548504 /nfs/dbraw/zinc/54/85/04/968548504.db2.gz SEBBSXGUWZAHPI-DSLXNQLJSA-N 0 1 387.524 3.004 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000635529953 968550540 /nfs/dbraw/zinc/55/05/40/968550540.db2.gz LIKAJLONKSMRBB-YZGWKJHDSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000643436459 968555164 /nfs/dbraw/zinc/55/51/64/968555164.db2.gz DNZPVCXQYCVLSG-LFGUQSLTSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000643436460 968555249 /nfs/dbraw/zinc/55/52/49/968555249.db2.gz DNZPVCXQYCVLSG-UMGGQSCQSA-N 0 1 387.524 3.039 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000650504974 968600636 /nfs/dbraw/zinc/60/06/36/968600636.db2.gz LTGWZNLQHSADDN-OAQYLSRUSA-N 0 1 386.536 3.495 20 0 GGADMN CC(C)(C)c1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CC(=O)[O-])n(-c2ccccc2)n1 ZINC000650504179 968602407 /nfs/dbraw/zinc/60/24/07/968602407.db2.gz ZXJZJTHDDQDNAH-QGZVFWFLSA-N 0 1 398.507 3.438 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000652470603 968633924 /nfs/dbraw/zinc/63/39/24/968633924.db2.gz BXMIOAYQFLCLTO-CRAIPNDOSA-N 0 1 395.377 3.129 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC=CCC1 ZINC000653288020 968638810 /nfs/dbraw/zinc/63/88/10/968638810.db2.gz IUHHONZBTIWOQW-HSZRJFAPSA-N 0 1 382.504 3.312 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(=O)[O-] ZINC000655860797 968696018 /nfs/dbraw/zinc/69/60/18/968696018.db2.gz MEFMBEYZNSBRCO-APWZRJJASA-N 0 1 375.513 3.217 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000655894327 968708885 /nfs/dbraw/zinc/70/88/85/968708885.db2.gz KTXKTUXKRRXMGC-AABGKKOBSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906713 968714000 /nfs/dbraw/zinc/71/40/00/968714000.db2.gz NFTHBHWYAAKCGQ-QXCZDIPSSA-N 0 1 393.572 3.418 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCC3(C(=O)[O-])CCC3)cc2)C1 ZINC000659394127 968730774 /nfs/dbraw/zinc/73/07/74/968730774.db2.gz JIOWSIPTWOCHTM-CALCHBBNSA-N 0 1 387.524 3.219 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)CC(=O)[O-] ZINC000659395621 968731332 /nfs/dbraw/zinc/73/13/32/968731332.db2.gz QZOAQCKBVVTTOQ-JENIJYKNSA-N 0 1 375.513 3.258 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)CC(=O)[O-] ZINC000659417999 968738389 /nfs/dbraw/zinc/73/83/89/968738389.db2.gz UPNNXAFMDZBUKL-QUCCMNQESA-N 0 1 389.540 3.429 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659783893 968751025 /nfs/dbraw/zinc/75/10/25/968751025.db2.gz CLTMOZVAUZLNHE-HXUWFJFHSA-N 0 1 378.472 3.417 20 0 GGADMN 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C[C@@H](c1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1)C(F)(F)F ZINC000563290131 974529498 /nfs/dbraw/zinc/52/94/98/974529498.db2.gz QMZBUJIJLUOAFC-SWLSCSKDSA-N 0 1 382.386 3.479 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1cccc(CN2CCOCC2)c1)C(=O)[O-] ZINC000565105606 974571788 /nfs/dbraw/zinc/57/17/88/974571788.db2.gz HXYTXCSYBHTRLP-LJQANCHMSA-N 0 1 382.504 3.242 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1cccc(CN2CCOCC2)c1)C(=O)[O-] ZINC000565105604 974571902 /nfs/dbraw/zinc/57/19/02/974571902.db2.gz HXYTXCSYBHTRLP-IBGZPJMESA-N 0 1 382.504 3.242 20 0 GGADMN C[C@H](C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000565108315 974572936 /nfs/dbraw/zinc/57/29/36/974572936.db2.gz XBWBLXIGYYMZQM-QGZVFWFLSA-N 0 1 375.490 3.073 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nn1 ZINC000565110346 974573137 /nfs/dbraw/zinc/57/31/37/974573137.db2.gz OTOLILRORXBAGE-CQSZACIVSA-N 0 1 387.827 3.122 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)nn1 ZINC000565110346 974573144 /nfs/dbraw/zinc/57/31/44/974573144.db2.gz OTOLILRORXBAGE-CQSZACIVSA-N 0 1 387.827 3.122 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccccc1 ZINC000565111990 974574506 /nfs/dbraw/zinc/57/45/06/974574506.db2.gz OUJDSQSTOLTWQN-JHMKDJTOSA-N 0 1 383.488 3.257 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000565255906 974578036 /nfs/dbraw/zinc/57/80/36/974578036.db2.gz UTRIFMTWHKPAQG-UXPWSPDFSA-N 0 1 380.444 3.198 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000565255908 974578156 /nfs/dbraw/zinc/57/81/56/974578156.db2.gz UTRIFMTWHKPAQG-VDGAXYAQSA-N 0 1 380.444 3.198 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1Br)c1ccco1 ZINC001604047079 974581172 /nfs/dbraw/zinc/58/11/72/974581172.db2.gz WZAMPUZMUCVRSZ-CYBMUJFWSA-N 0 1 396.241 3.165 20 0 GGADMN Cc1cc2ncn(C[C@@H](O)C[N@@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])c2cc1C ZINC000565428167 974581960 /nfs/dbraw/zinc/58/19/60/974581960.db2.gz VVQZFXUOWXQLLC-ICSRJNTNSA-N 0 1 395.503 3.237 20 0 GGADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000566362824 974610449 /nfs/dbraw/zinc/61/04/49/974610449.db2.gz WVOQBNWMTLAUKO-HOCLYGCPSA-N 0 1 387.398 3.179 20 0 GGADMN CCOc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])n1 ZINC000567359382 974632829 /nfs/dbraw/zinc/63/28/29/974632829.db2.gz UFJTYFQIAVGVMW-QGZVFWFLSA-N 0 1 386.448 3.072 20 0 GGADMN CCOc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])n1 ZINC000567359382 974632832 /nfs/dbraw/zinc/63/28/32/974632832.db2.gz UFJTYFQIAVGVMW-QGZVFWFLSA-N 0 1 386.448 3.072 20 0 GGADMN Cc1ccc([C@@H](OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C(=O)[O-])c2ccccc2)cc1 ZINC000568060198 974655916 /nfs/dbraw/zinc/65/59/16/974655916.db2.gz VQARFKKZRNRMDY-BDTNDASRSA-N 0 1 383.488 3.401 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000568074484 974661752 /nfs/dbraw/zinc/66/17/52/974661752.db2.gz KBMAXGVQGSTJPI-RTBURBONSA-N 0 1 377.444 3.469 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)CC2)nn1 ZINC000568290237 974667254 /nfs/dbraw/zinc/66/72/54/974667254.db2.gz DFJSUNJTXSZHLD-UHFFFAOYSA-N 0 1 387.827 3.122 20 0 GGADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000568990880 974681765 /nfs/dbraw/zinc/68/17/65/974681765.db2.gz NIMHELVLAFPJCZ-KSEOMHKRSA-N 0 1 383.488 3.401 20 0 GGADMN C[C@H](OC[C@@H](O)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000569372459 974689799 /nfs/dbraw/zinc/68/97/99/974689799.db2.gz RXHKVARBPHYGIU-PJODQICGSA-N 0 1 395.805 3.118 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(CCc3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000569845968 974700037 /nfs/dbraw/zinc/70/00/37/974700037.db2.gz WIHYYIAJRKTVGB-RBUKOAKNSA-N 0 1 377.444 3.155 20 0 GGADMN COc1cc(-c2noc(C[NH+]3CCC(CC(=O)[O-])CC3)n2)ccc1OC(F)F ZINC000569857560 974700989 /nfs/dbraw/zinc/70/09/89/974700989.db2.gz PANMIRDYOVPNON-UHFFFAOYSA-N 0 1 397.378 3.033 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)nn1 ZINC000570099830 974704819 /nfs/dbraw/zinc/70/48/19/974704819.db2.gz BAMMXAKWMHFXAT-OAHLLOKOSA-N 0 1 387.440 3.076 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)nn1 ZINC000570099830 974704823 /nfs/dbraw/zinc/70/48/23/974704823.db2.gz BAMMXAKWMHFXAT-OAHLLOKOSA-N 0 1 387.440 3.076 20 0 GGADMN COC1([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CCC1 ZINC000570338385 974708832 /nfs/dbraw/zinc/70/88/32/974708832.db2.gz SHTMGODIXAVWJT-GOEBONIOSA-N 0 1 389.427 3.077 20 0 GGADMN COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)CCC1 ZINC000570338387 974708932 /nfs/dbraw/zinc/70/89/32/974708932.db2.gz SHTMGODIXAVWJT-ZBFHGGJFSA-N 0 1 389.427 3.077 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000571219786 974725472 /nfs/dbraw/zinc/72/54/72/974725472.db2.gz VTHAGFPXFGUREM-HZPDHXFCSA-N 0 1 380.366 3.323 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000571539504 974731479 /nfs/dbraw/zinc/73/14/79/974731479.db2.gz XVTKFUGTIGWRDX-LJQANCHMSA-N 0 1 391.489 3.007 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000571539502 974731662 /nfs/dbraw/zinc/73/16/62/974731662.db2.gz XVTKFUGTIGWRDX-IBGZPJMESA-N 0 1 391.489 3.007 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@H+]([C@H](C)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC000573452423 974765427 /nfs/dbraw/zinc/76/54/27/974765427.db2.gz ORPWRDNYEAWCDN-CYBMUJFWSA-N 0 1 389.448 3.474 20 0 GGADMN CCOc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000574292987 974780667 /nfs/dbraw/zinc/78/06/67/974780667.db2.gz VPGNBZFHSKHYPH-YYWHXJBOSA-N 0 1 385.460 3.115 20 0 GGADMN CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000575875221 974803300 /nfs/dbraw/zinc/80/33/00/974803300.db2.gz YYHZWMSWDJGKFK-ZDUSSCGKSA-N 0 1 386.414 3.412 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000576115076 974808184 /nfs/dbraw/zinc/80/81/84/974808184.db2.gz KBSZVKNREQUKMG-SFHVURJKSA-N 0 1 397.372 3.339 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000576115076 974808189 /nfs/dbraw/zinc/80/81/89/974808189.db2.gz KBSZVKNREQUKMG-SFHVURJKSA-N 0 1 397.372 3.339 20 0 GGADMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2ccc(-n3ccnc3)cc2C)cc(OC)c1 ZINC000576166549 974809281 /nfs/dbraw/zinc/80/92/81/974809281.db2.gz SLUPWGPBSIEYNZ-UHFFFAOYSA-N 0 1 395.459 3.285 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CCc1csc(C)n1)CC2 ZINC000576166013 974809428 /nfs/dbraw/zinc/80/94/28/974809428.db2.gz ALNAEVVKRFXBIK-INIZCTEOSA-N 0 1 376.478 3.085 20 0 GGADMN CCc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000576481004 974816563 /nfs/dbraw/zinc/81/65/63/974816563.db2.gz YCBQZNCVFGMQNB-IERDGZPVSA-N 0 1 380.488 3.441 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@@H](C(=O)[O-])C1 ZINC000576600030 974818086 /nfs/dbraw/zinc/81/80/86/974818086.db2.gz SFOHSYCZISOWBW-PKOBYXMFSA-N 0 1 391.899 3.266 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@H](C(=O)[O-])C1 ZINC000576600029 974818358 /nfs/dbraw/zinc/81/83/58/974818358.db2.gz SFOHSYCZISOWBW-MJGOQNOKSA-N 0 1 391.899 3.266 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)nn1 ZINC000576642877 974819315 /nfs/dbraw/zinc/81/93/15/974819315.db2.gz GHSYCTKUIOSTJS-INIZCTEOSA-N 0 1 379.420 3.001 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](CCCOc3cccc4ccccc43)C2)nn1 ZINC000576830648 974822746 /nfs/dbraw/zinc/82/27/46/974822746.db2.gz IHMRENOODJUUGN-KRWDZBQOSA-N 0 1 380.448 3.236 20 0 GGADMN Cc1sc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1C(=O)[O-] ZINC000577282304 974833630 /nfs/dbraw/zinc/83/36/30/974833630.db2.gz FGGXKGQOPDOGOZ-CYBMUJFWSA-N 0 1 385.411 3.277 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000577609979 974838336 /nfs/dbraw/zinc/83/83/36/974838336.db2.gz WNGCPZBWVUCLCN-MSOLQXFVSA-N 0 1 382.460 3.214 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)CC2 ZINC000578660298 974860203 /nfs/dbraw/zinc/86/02/03/974860203.db2.gz AQNIHTNJMWGDCN-MRXNPFEDSA-N 0 1 395.377 3.202 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000579364872 974873792 /nfs/dbraw/zinc/87/37/92/974873792.db2.gz CEROYSXYIKZOLF-CQSZACIVSA-N 0 1 390.867 3.054 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000579364872 974873797 /nfs/dbraw/zinc/87/37/97/974873797.db2.gz CEROYSXYIKZOLF-CQSZACIVSA-N 0 1 390.867 3.054 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000580574775 974896613 /nfs/dbraw/zinc/89/66/13/974896613.db2.gz JNXMYGNLKUVVBC-SFHVURJKSA-N 0 1 377.868 3.283 20 0 GGADMN C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582551584 974928143 /nfs/dbraw/zinc/92/81/43/974928143.db2.gz JLYFYVZNCNZMRF-YPMHNXCESA-N 0 1 384.358 3.273 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000582791089 974931428 /nfs/dbraw/zinc/93/14/28/974931428.db2.gz PMYOXLNJRWJKLH-QGZVFWFLSA-N 0 1 376.815 3.415 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000582791089 974931434 /nfs/dbraw/zinc/93/14/34/974931434.db2.gz PMYOXLNJRWJKLH-QGZVFWFLSA-N 0 1 376.815 3.415 20 0 GGADMN CSc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000583327189 974939534 /nfs/dbraw/zinc/93/95/34/974939534.db2.gz DQWMLRWLEBVFEO-INIZCTEOSA-N 0 1 395.908 3.388 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000596653503 974999445 /nfs/dbraw/zinc/99/94/45/974999445.db2.gz NALHSHKYGUUWFB-UHFFFAOYSA-N 0 1 385.464 3.126 20 0 GGADMN C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629367866 975085600 /nfs/dbraw/zinc/08/56/00/975085600.db2.gz RGJVOMUDDOOTGM-LLVKDONJSA-N 0 1 385.449 3.227 20 0 GGADMN Cc1cc(C)cc(OCc2noc(C[N@H+]3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)n2)c1 ZINC000629376158 975089629 /nfs/dbraw/zinc/08/96/29/975089629.db2.gz FHSVQZPNMGJBHF-FGTMMUONSA-N 0 1 385.464 3.341 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c1 ZINC000629376104 975090012 /nfs/dbraw/zinc/09/00/12/975090012.db2.gz ROZLHKVMMCCKJE-VBKZILBWSA-N 0 1 389.423 3.467 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000629498090 975094537 /nfs/dbraw/zinc/09/45/37/975094537.db2.gz JXSJIBQGNQOFTF-QFBILLFUSA-N 0 1 378.472 3.493 20 0 GGADMN COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000629501246 975096165 /nfs/dbraw/zinc/09/61/65/975096165.db2.gz RQEHIACFLLSYOY-BEVDRBHNSA-N 0 1 382.460 3.418 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000630156624 975133555 /nfs/dbraw/zinc/13/35/55/975133555.db2.gz NISXSTZYGAWBCS-GOSISDBHSA-N 0 1 378.900 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ZINC000666580353 975975066 /nfs/dbraw/zinc/97/50/66/975975066.db2.gz GLWFJPMDJFGNAH-NRFANRHFSA-N 0 1 391.471 3.192 20 0 GGADMN Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000666580354 975975160 /nfs/dbraw/zinc/97/51/60/975975160.db2.gz GLWFJPMDJFGNAH-OAQYLSRUSA-N 0 1 391.471 3.192 20 0 GGADMN Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000666580354 975975164 /nfs/dbraw/zinc/97/51/64/975975164.db2.gz GLWFJPMDJFGNAH-OAQYLSRUSA-N 0 1 391.471 3.192 20 0 GGADMN CCCC[C@@H](NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000680362662 976052973 /nfs/dbraw/zinc/05/29/73/976052973.db2.gz KOVSIBPRTCWJKW-FUHWJXTLSA-N 0 1 376.497 3.313 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001591828490 976087029 /nfs/dbraw/zinc/08/70/29/976087029.db2.gz QUKYIHJNWCAMET-LBPRGKRZSA-N 0 1 385.917 3.321 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001591868577 976191591 /nfs/dbraw/zinc/19/15/91/976191591.db2.gz WPCKIKOGDWZYLH-YOEHRIQHSA-N 0 1 386.414 3.110 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001591868577 976191597 /nfs/dbraw/zinc/19/15/97/976191597.db2.gz WPCKIKOGDWZYLH-YOEHRIQHSA-N 0 1 386.414 3.110 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC[N@H+]1C ZINC001591907295 976309084 /nfs/dbraw/zinc/30/90/84/976309084.db2.gz JSMQRWGEZYLGDG-GOSISDBHSA-N 0 1 385.464 3.107 20 0 GGADMN CC(C)c1[nH]c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C(=O)[O-] ZINC001591912441 976345979 /nfs/dbraw/zinc/34/59/79/976345979.db2.gz NAZBBQSLSVEUOW-XJKSGUPXSA-N 0 1 377.485 3.278 20 0 GGADMN CC(C)c1[nH]c(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C(=O)[O-] ZINC001591912441 976345988 /nfs/dbraw/zinc/34/59/88/976345988.db2.gz NAZBBQSLSVEUOW-XJKSGUPXSA-N 0 1 377.485 3.278 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000692461218 976490987 /nfs/dbraw/zinc/49/09/87/976490987.db2.gz KOPCDAWQZNRHIS-UHFFFAOYSA-N 0 1 391.265 3.365 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@](C)(Cn1cccn1)C(=O)[O-] ZINC001591986482 976608392 /nfs/dbraw/zinc/60/83/92/976608392.db2.gz FZXYAQFQSNPXIX-OAQYLSRUSA-N 0 1 386.496 3.202 20 0 GGADMN CC(C)c1nnc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)o1 ZINC001592060169 976800905 /nfs/dbraw/zinc/80/09/05/976800905.db2.gz LYXBJVHIAMGPDB-UONOGXRCSA-N 0 1 394.269 3.256 20 0 GGADMN CC(C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001592060981 976811484 /nfs/dbraw/zinc/81/14/84/976811484.db2.gz IKJWJUNDXLAFPB-IEBWSBKVSA-N 0 1 399.539 3.223 20 0 GGADMN CC(C)c1ocnc1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001592108152 976890969 /nfs/dbraw/zinc/89/09/69/976890969.db2.gz LPLIXADQIXWLOG-LQZXRHCMSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)c1ocnc1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001592108152 976890978 /nfs/dbraw/zinc/89/09/78/976890978.db2.gz LPLIXADQIXWLOG-LQZXRHCMSA-N 0 1 378.469 3.053 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2ccsc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000704771794 977255485 /nfs/dbraw/zinc/25/54/85/977255485.db2.gz MMJKKTQABWZRKO-SFHVURJKSA-N 0 1 386.517 3.358 20 0 GGADMN CC(C)(C)[C@H](NC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c1ccccn1)c1cccs1 ZINC001592322056 977724002 /nfs/dbraw/zinc/72/40/02/977724002.db2.gz OLOXNEIXUGMAMD-QUCCMNQESA-N 0 1 389.521 3.326 20 0 GGADMN CC(C)(C)[C@H](NC(=O)C[NH2+][C@](C)(CC(=O)[O-])c1ccccn1)c1cccs1 ZINC001592322057 977724150 /nfs/dbraw/zinc/72/41/50/977724150.db2.gz OLOXNEIXUGMAMD-UYAOXDASSA-N 0 1 389.521 3.326 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)C[NH2+][C@](C)(CC(=O)[O-])c1ccccn1)c1cccs1 ZINC001592322050 977724239 /nfs/dbraw/zinc/72/42/39/977724239.db2.gz OLOXNEIXUGMAMD-AZUAARDMSA-N 0 1 389.521 3.326 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1nc2ccc(Br)cc2o1)c1ccncc1 ZINC001592329373 977756280 /nfs/dbraw/zinc/75/62/80/977756280.db2.gz GLIPXCIBPSPLTQ-KRWDZBQOSA-N 0 1 390.237 3.465 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2o1)c1ccncc1 ZINC001592329660 977761439 /nfs/dbraw/zinc/76/14/39/977761439.db2.gz KEOVISJPPYNFGJ-QGZVFWFLSA-N 0 1 390.237 3.465 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccnc1 ZINC001592329862 977763426 /nfs/dbraw/zinc/76/34/26/977763426.db2.gz NWUYKZDSWIDHRW-QFIPXVFZSA-N 0 1 376.460 3.236 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccncc1 ZINC001592330815 977770116 /nfs/dbraw/zinc/77/01/16/977770116.db2.gz YWJOBBFFPGJVAM-KRWDZBQOSA-N 0 1 389.253 3.200 20 0 GGADMN CC(C)(CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000720854932 978068174 /nfs/dbraw/zinc/06/81/74/978068174.db2.gz DOQXRUZIMSYAEH-SFHVURJKSA-N 0 1 375.513 3.089 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736271827 978316169 /nfs/dbraw/zinc/31/61/69/978316169.db2.gz AFHGTNBAMNNHPN-HNNXBMFYSA-N 0 1 398.450 3.499 20 0 GGADMN C[C@H](CCNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC001592512980 978341559 /nfs/dbraw/zinc/34/15/59/978341559.db2.gz LJRPHTFLCXDUMD-QGZVFWFLSA-N 0 1 395.503 3.363 20 0 GGADMN C[C@@H](CCNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC001592512979 978342049 /nfs/dbraw/zinc/34/20/49/978342049.db2.gz LJRPHTFLCXDUMD-KRWDZBQOSA-N 0 1 395.503 3.363 20 0 GGADMN C[C@@H](CCNC(=O)Nc1nc(CCC(=O)[O-])cs1)[N@@H+](C)Cc1ccccc1 ZINC001592521945 978377354 /nfs/dbraw/zinc/37/73/54/978377354.db2.gz RVGHPQWGEYUQIZ-AWEZNQCLSA-N 0 1 390.509 3.192 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000737168909 978384149 /nfs/dbraw/zinc/38/41/49/978384149.db2.gz YBPXZMRHERSLKX-DYVFJYSZSA-N 0 1 397.903 3.297 20 0 GGADMN C[C@H](CCO)[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001592530734 978401102 /nfs/dbraw/zinc/40/11/02/978401102.db2.gz WZWMSBQHXRYTKZ-LLVKDONJSA-N 0 1 396.896 3.408 20 0 GGADMN C[C@H](CCO)[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001592530734 978401105 /nfs/dbraw/zinc/40/11/05/978401105.db2.gz WZWMSBQHXRYTKZ-LLVKDONJSA-N 0 1 396.896 3.408 20 0 GGADMN CC(C)([NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000737598250 978421714 /nfs/dbraw/zinc/42/17/14/978421714.db2.gz HBKCHSJMOJEVTI-OAHLLOKOSA-N 0 1 389.839 3.064 20 0 GGADMN C[C@H]([NH2+]CC(=O)N1CCC(C(=O)[O-])CC1)c1cc(F)c(Cl)cc1Cl ZINC000737701810 978432654 /nfs/dbraw/zinc/43/26/54/978432654.db2.gz UZRREXXCEZLITA-VIFPVBQESA-N 0 1 377.243 3.106 20 0 GGADMN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(C(=O)[O-])cc1F ZINC001592575455 978479618 /nfs/dbraw/zinc/47/96/18/978479618.db2.gz KCXDRBRMKGXPLZ-NSHDSACASA-N 0 1 383.420 3.025 20 0 GGADMN C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(C(=O)[O-])cc1F ZINC001592575454 978479696 /nfs/dbraw/zinc/47/96/96/978479696.db2.gz KCXDRBRMKGXPLZ-LLVKDONJSA-N 0 1 383.420 3.025 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)[O-] ZINC001592583137 978495798 /nfs/dbraw/zinc/49/57/98/978495798.db2.gz LPYOAZYTPNIECI-OCCSQVGLSA-N 0 1 391.518 3.140 20 0 GGADMN C[C@H](C[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC001592584450 978502614 /nfs/dbraw/zinc/50/26/14/978502614.db2.gz AYBYGZNMZQRHAF-GFCCVEGCSA-N 0 1 386.876 3.262 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1)C(=O)[O-] ZINC001592592443 978516973 /nfs/dbraw/zinc/51/69/73/978516973.db2.gz BCGBCPOYCAJCQL-HOCLYGCPSA-N 0 1 386.414 3.010 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1)C(=O)[O-] ZINC001592592442 978517010 /nfs/dbraw/zinc/51/70/10/978517010.db2.gz BCGBCPOYCAJCQL-GOEBONIOSA-N 0 1 386.414 3.010 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1)C(=O)[O-] ZINC001592592441 978517075 /nfs/dbraw/zinc/51/70/75/978517075.db2.gz BCGBCPOYCAJCQL-GDBMZVCRSA-N 0 1 386.414 3.010 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1)C(=O)[O-] ZINC001592592681 978519811 /nfs/dbraw/zinc/51/98/11/978519811.db2.gz OMQDDQCNXLWNQB-GOSISDBHSA-N 0 1 395.503 3.448 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001592604412 978542601 /nfs/dbraw/zinc/54/26/01/978542601.db2.gz AQWYGKFPBIOWSW-NRJQMVOHSA-N 0 1 388.508 3.466 20 0 GGADMN C[C@@H](C[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)C1CCCCC1 ZINC001592612155 978572402 /nfs/dbraw/zinc/57/24/02/978572402.db2.gz YPCRKOQRXZOFBR-DOTOQJQBSA-N 0 1 380.529 3.456 20 0 GGADMN C[C@H](C[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)C1CCCCC1 ZINC001592612158 978572596 /nfs/dbraw/zinc/57/25/96/978572596.db2.gz YPCRKOQRXZOFBR-WBVHZDCISA-N 0 1 380.529 3.456 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000740124528 978670492 /nfs/dbraw/zinc/67/04/92/978670492.db2.gz UGXPEVIOWDJLJV-UHFFFAOYSA-N 0 1 377.828 3.371 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000740124528 978670496 /nfs/dbraw/zinc/67/04/96/978670496.db2.gz UGXPEVIOWDJLJV-UHFFFAOYSA-N 0 1 377.828 3.371 20 0 GGADMN O=C([O-])c1ccc(Cl)c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000819928120 978925314 /nfs/dbraw/zinc/92/53/14/978925314.db2.gz CQLZAENSXNLZHF-QFBILLFUSA-N 0 1 384.863 3.385 20 0 GGADMN C[C@@H]1CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000828289872 978978620 /nfs/dbraw/zinc/97/86/20/978978620.db2.gz ONWNEKCBOQIJOV-JLSDUUJJSA-N 0 1 385.464 3.012 20 0 GGADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829162247 978995192 /nfs/dbraw/zinc/99/51/92/978995192.db2.gz QJWZJBUIXQANHM-CVEARBPZSA-N 0 1 375.469 3.263 20 0 GGADMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829162250 978995202 /nfs/dbraw/zinc/99/52/02/978995202.db2.gz QJWZJBUIXQANHM-HOTGVXAUSA-N 0 1 375.469 3.263 20 0 GGADMN COc1c(C)cc(C[N@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1C ZINC000831848042 979034816 /nfs/dbraw/zinc/03/48/16/979034816.db2.gz YGYUSBDUWWCQKP-MRXNPFEDSA-N 0 1 388.489 3.309 20 0 GGADMN COc1c(C)cc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1C ZINC000831848042 979034818 /nfs/dbraw/zinc/03/48/18/979034818.db2.gz YGYUSBDUWWCQKP-MRXNPFEDSA-N 0 1 388.489 3.309 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+][C@@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC000832050506 979037848 /nfs/dbraw/zinc/03/78/48/979037848.db2.gz QLAFQJSHNXQBCW-SFTDATJTSA-N 0 1 384.476 3.256 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+][C@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC000832050505 979037865 /nfs/dbraw/zinc/03/78/65/979037865.db2.gz QLAFQJSHNXQBCW-RTWAWAEBSA-N 0 1 384.476 3.256 20 0 GGADMN COc1cc(OC)cc([C@@H]([NH2+][C@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC000832050504 979038044 /nfs/dbraw/zinc/03/80/44/979038044.db2.gz QLAFQJSHNXQBCW-NHCUHLMSSA-N 0 1 384.476 3.256 20 0 GGADMN COc1cccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000832561908 979046946 /nfs/dbraw/zinc/04/69/46/979046946.db2.gz FPWXHPACPYISMO-UHFFFAOYSA-N 0 1 376.840 3.264 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832842712 979049094 /nfs/dbraw/zinc/04/90/94/979049094.db2.gz COMHXHCJLDGEKN-MOPGFXCFSA-N 0 1 395.503 3.456 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832842715 979049115 /nfs/dbraw/zinc/04/91/15/979049115.db2.gz COMHXHCJLDGEKN-RTBURBONSA-N 0 1 395.503 3.456 20 0 GGADMN Cc1ccc(C)n1C1CC[NH+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000832928615 979056751 /nfs/dbraw/zinc/05/67/51/979056751.db2.gz FQJXKTMCKOOBNN-QGZVFWFLSA-N 0 1 387.505 3.307 20 0 GGADMN Cc1ccc(C)n1C1CC[NH+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000832928612 979056893 /nfs/dbraw/zinc/05/68/93/979056893.db2.gz FQJXKTMCKOOBNN-KRWDZBQOSA-N 0 1 387.505 3.307 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000832928556 979057002 /nfs/dbraw/zinc/05/70/02/979057002.db2.gz UGGGCTBBAHEHRD-IBGZPJMESA-N 0 1 393.443 3.256 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000832928556 979057006 /nfs/dbraw/zinc/05/70/06/979057006.db2.gz UGGGCTBBAHEHRD-IBGZPJMESA-N 0 1 393.443 3.256 20 0 GGADMN CC[C@@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001595017917 979085934 /nfs/dbraw/zinc/08/59/34/979085934.db2.gz NCYXMGUIZCJAQC-VQIMIIECSA-N 0 1 399.539 3.203 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001595017924 979086570 /nfs/dbraw/zinc/08/65/70/979086570.db2.gz NDWIFBPBSKIWNJ-SCTDSRPQSA-N 0 1 399.539 3.223 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC001592674798 979086858 /nfs/dbraw/zinc/08/68/58/979086858.db2.gz MLNDZKUSYVFULO-AWEZNQCLSA-N 0 1 392.459 3.434 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001595018262 979089140 /nfs/dbraw/zinc/08/91/40/979089140.db2.gz QKVKSBURABBLFN-YJBOKZPZSA-N 0 1 389.544 3.110 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC001592681541 979099794 /nfs/dbraw/zinc/09/97/94/979099794.db2.gz BRUWUUFMBUSFDE-LBPRGKRZSA-N 0 1 391.468 3.083 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[N@H+]1CCc2sccc2C1 ZINC001592681541 979099800 /nfs/dbraw/zinc/09/98/00/979099800.db2.gz BRUWUUFMBUSFDE-LBPRGKRZSA-N 0 1 391.468 3.083 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682866 979107186 /nfs/dbraw/zinc/10/71/86/979107186.db2.gz GRWZHTGGEXBOQN-RWMBFGLXSA-N 0 1 391.493 3.219 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682866 979107189 /nfs/dbraw/zinc/10/71/89/979107189.db2.gz GRWZHTGGEXBOQN-RWMBFGLXSA-N 0 1 391.493 3.219 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC001592683555 979111988 /nfs/dbraw/zinc/11/19/88/979111988.db2.gz QLOHIKYYZONJHY-INIZCTEOSA-N 0 1 381.476 3.272 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000833418862 979182750 /nfs/dbraw/zinc/18/27/50/979182750.db2.gz BXNYDPPUIFSNSR-GFCCVEGCSA-N 0 1 380.851 3.383 20 0 GGADMN C[C@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)Oc1ccc(Br)cc1 ZINC001592710515 979196724 /nfs/dbraw/zinc/19/67/24/979196724.db2.gz SHNOGVAINWENEE-CQSZACIVSA-N 0 1 399.329 3.135 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000842668078 979323074 /nfs/dbraw/zinc/32/30/74/979323074.db2.gz KOBHJOOJMPFFJZ-BASYENTBSA-N 0 1 396.890 3.479 20 0 GGADMN CCC(CC)(COCc1ccccc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001595092857 979387507 /nfs/dbraw/zinc/38/75/07/979387507.db2.gz IXBGELINUQJRGR-GOSISDBHSA-N 0 1 390.524 3.017 20 0 GGADMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000846261383 979431729 /nfs/dbraw/zinc/43/17/29/979431729.db2.gz JBQUEZDIDRKNNU-RZXQSWCMSA-N 0 1 381.476 3.307 20 0 GGADMN Cn1cc(C[N@@H+](CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c(C(F)F)n1 ZINC000846269250 979435489 /nfs/dbraw/zinc/43/54/89/979435489.db2.gz PUJIITRKKRTUGD-UHFFFAOYSA-N 0 1 377.313 3.463 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)c1ccccc1Br)CC2 ZINC000846273759 979440249 /nfs/dbraw/zinc/44/02/49/979440249.db2.gz IZMFXHBEJJDASZ-QGZVFWFLSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)c1ccccc1Br)CC2 ZINC000846273759 979440253 /nfs/dbraw/zinc/44/02/53/979440253.db2.gz IZMFXHBEJJDASZ-QGZVFWFLSA-N 0 1 376.250 3.239 20 0 GGADMN COc1ccc(OCc2nc(C[N@@H+]3CCC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000846276020 979442555 /nfs/dbraw/zinc/44/25/55/979442555.db2.gz XTHWQANPSOQRIB-IBGZPJMESA-N 0 1 376.478 3.417 20 0 GGADMN COc1ccc(OCc2nc(C[N@H+]3CCC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000846276020 979442566 /nfs/dbraw/zinc/44/25/66/979442566.db2.gz XTHWQANPSOQRIB-IBGZPJMESA-N 0 1 376.478 3.417 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000846275588 979443294 /nfs/dbraw/zinc/44/32/94/979443294.db2.gz JECKQTXOQSJJPY-ZWKOTPCHSA-N 0 1 390.277 3.384 20 0 GGADMN COc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cs2)cc1 ZINC000846278744 979445628 /nfs/dbraw/zinc/44/56/28/979445628.db2.gz SYMQQWIYRYWZDR-SOVGHPHASA-N 0 1 388.489 3.416 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000846280854 979451128 /nfs/dbraw/zinc/45/11/28/979451128.db2.gz RHQGDWPMGZLQOI-GMAHTHKFSA-N 0 1 381.472 3.473 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000846280860 979451184 /nfs/dbraw/zinc/45/11/84/979451184.db2.gz RLOHDCMAEZRFGS-IEBWSBKVSA-N 0 1 390.277 3.211 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000846280861 979451549 /nfs/dbraw/zinc/45/15/49/979451549.db2.gz RLOHDCMAEZRFGS-MJGOQNOKSA-N 0 1 390.277 3.211 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846282674 979454693 /nfs/dbraw/zinc/45/46/93/979454693.db2.gz BPOHXUHYUADPQX-WFASDCNBSA-N 0 1 388.277 3.444 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000846288939 979459203 /nfs/dbraw/zinc/45/92/03/979459203.db2.gz IZBSAJOFDVHULW-KZNAEPCWSA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@@H]2CCCC[C@@H]12 ZINC000849345306 979496355 /nfs/dbraw/zinc/49/63/55/979496355.db2.gz ICYHWAVUUVOMHJ-HZMVEIRTSA-N 0 1 382.298 3.448 20 0 GGADMN CC[C@H](C[N@@H+](C)CCC(=O)N(C)CC(=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001595129422 979534697 /nfs/dbraw/zinc/53/46/97/979534697.db2.gz JCKGGDISGUZHCF-GFCCVEGCSA-N 0 1 391.295 3.016 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])cc1SC(F)(F)F ZINC000851708802 979580042 /nfs/dbraw/zinc/58/00/42/979580042.db2.gz ZNSHDEHNIAOWHQ-NEPJUHHUSA-N 0 1 379.400 3.371 20 0 GGADMN O=C([O-])/C=C\c1ccc(OCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000851709095 979580155 /nfs/dbraw/zinc/58/01/55/979580155.db2.gz SEHSCUDKRFIQMG-KHGBMWDSSA-N 0 1 381.472 3.261 20 0 GGADMN Cc1cc(C)c(N2CC[C@H]([N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC000852734891 979582380 /nfs/dbraw/zinc/58/23/80/979582380.db2.gz FDVGYHHJQYIQHU-PMACEKPBSA-N 0 1 378.472 3.401 20 0 GGADMN Cc1cc(C)c(N2CC[C@H]([N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c(C)c1 ZINC000852734891 979582384 /nfs/dbraw/zinc/58/23/84/979582384.db2.gz FDVGYHHJQYIQHU-PMACEKPBSA-N 0 1 378.472 3.401 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001592838699 979591435 /nfs/dbraw/zinc/59/14/35/979591435.db2.gz HJYVPEXLBYTNMO-OLZOCXBDSA-N 0 1 387.307 3.179 20 0 GGADMN O=C([O-])C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000852959514 979592090 /nfs/dbraw/zinc/59/20/90/979592090.db2.gz NJHXWRYOKMSKBR-QFBILLFUSA-N 0 1 398.425 3.058 20 0 GGADMN CC[C@H](CNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC001595147413 979628276 /nfs/dbraw/zinc/62/82/76/979628276.db2.gz SMCTVYMTCITNKR-TXTKFYIRSA-N 0 1 399.535 3.110 20 0 GGADMN CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)[N@H+]1CCc2ccccc2C1 ZINC001595152568 979647517 /nfs/dbraw/zinc/64/75/17/979647517.db2.gz MGGGNRJEDQHZJB-QGZVFWFLSA-N 0 1 385.439 3.482 20 0 GGADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccc2c(c1)CCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000859816704 979648022 /nfs/dbraw/zinc/64/80/22/979648022.db2.gz IUVZJAJQMLYWGE-BUKVSMQUSA-N 0 1 380.488 3.247 20 0 GGADMN COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859816899 979648245 /nfs/dbraw/zinc/64/82/45/979648245.db2.gz LCEKCCFMOXBYAJ-IBGZPJMESA-N 0 1 392.459 3.489 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592861375 979697830 /nfs/dbraw/zinc/69/78/30/979697830.db2.gz ROJBVNWJZPWMDG-UTKZUKDTSA-N 0 1 395.503 3.340 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592861375 979697832 /nfs/dbraw/zinc/69/78/32/979697832.db2.gz ROJBVNWJZPWMDG-UTKZUKDTSA-N 0 1 395.503 3.340 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(=O)[O-] ZINC001592873116 979734310 /nfs/dbraw/zinc/73/43/10/979734310.db2.gz RJAUSTOLTRFLRP-SCWSEQNSSA-N 0 1 395.503 3.417 20 0 GGADMN C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001592891224 979782810 /nfs/dbraw/zinc/78/28/10/979782810.db2.gz OIRBDJUOOHDLFN-LBPRGKRZSA-N 0 1 395.381 3.300 20 0 GGADMN C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001592891224 979782815 /nfs/dbraw/zinc/78/28/15/979782815.db2.gz OIRBDJUOOHDLFN-LBPRGKRZSA-N 0 1 395.381 3.300 20 0 GGADMN C[C@H](Cc1cccs1)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592900792 979822769 /nfs/dbraw/zinc/82/27/69/979822769.db2.gz ZLRZTFFNUJNZAF-CQSZACIVSA-N 0 1 394.924 3.426 20 0 GGADMN CC[C@@](COC)([NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1)C(=O)[O-] ZINC001595195722 979916185 /nfs/dbraw/zinc/91/61/85/979916185.db2.gz WJDPSIRAPOQHGH-NRFANRHFSA-N 0 1 386.448 3.195 20 0 GGADMN CC[C@](COC)([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595195761 979917121 /nfs/dbraw/zinc/91/71/21/979917121.db2.gz YCNKASALZTWJCX-XMSQKQJNSA-N 0 1 390.524 3.117 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C)c(C(=O)[O-])c1)CC2 ZINC000872159762 980045009 /nfs/dbraw/zinc/04/50/09/980045009.db2.gz ZLYNUORUUKZGDA-UHFFFAOYSA-N 0 1 385.460 3.320 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000872165978 980060770 /nfs/dbraw/zinc/06/07/70/980060770.db2.gz PZDFGAKPFRBFAE-LPHOPBHVSA-N 0 1 375.396 3.122 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000872165978 980060775 /nfs/dbraw/zinc/06/07/75/980060775.db2.gz PZDFGAKPFRBFAE-LPHOPBHVSA-N 0 1 375.396 3.122 20 0 GGADMN CC[C@](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237395 980144799 /nfs/dbraw/zinc/14/47/99/980144799.db2.gz FNWCDLUIVLPDCD-MJPMAJQWSA-N 0 1 378.900 3.267 20 0 GGADMN [NH3+][C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1C(F)(F)F ZINC000887398071 980221964 /nfs/dbraw/zinc/22/19/64/980221964.db2.gz OHSMIIDDYLMWFW-KBMXLJTQSA-N 0 1 378.350 3.135 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000898836500 980223989 /nfs/dbraw/zinc/22/39/89/980223989.db2.gz WSOLBRKUMZQSKT-MHJFOBGBSA-N 0 1 387.524 3.326 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000900072814 980244069 /nfs/dbraw/zinc/24/40/69/980244069.db2.gz AGPUUIZONMPSMU-GFCCVEGCSA-N 0 1 387.333 3.286 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000900073243 980245165 /nfs/dbraw/zinc/24/51/65/980245165.db2.gz GJVXIBVKZJEGAE-OAHLLOKOSA-N 0 1 385.855 3.104 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000901425360 980270661 /nfs/dbraw/zinc/27/06/61/980270661.db2.gz XTORKRVHPVEAFM-MGPUTAFESA-N 0 1 398.459 3.150 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000901425360 980270667 /nfs/dbraw/zinc/27/06/67/980270667.db2.gz XTORKRVHPVEAFM-MGPUTAFESA-N 0 1 398.459 3.150 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000901429053 980275903 /nfs/dbraw/zinc/27/59/03/980275903.db2.gz MJOKVLIPGXUFHG-UHFFFAOYSA-N 0 1 388.855 3.173 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000901429053 980275911 /nfs/dbraw/zinc/27/59/11/980275911.db2.gz MJOKVLIPGXUFHG-UHFFFAOYSA-N 0 1 388.855 3.173 20 0 GGADMN Cc1cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000901429246 980276836 /nfs/dbraw/zinc/27/68/36/980276836.db2.gz IVQVVTXXSXEAPB-LJQANCHMSA-N 0 1 382.460 3.004 20 0 GGADMN COc1cccc([C@@H]2C[N@H+](Cc3cc(C)c(OCC(=O)[O-])c(C)c3)CCO2)c1 ZINC000901430918 980280309 /nfs/dbraw/zinc/28/03/09/980280309.db2.gz OFBSUDNLFHYEOD-FQEVSTJZSA-N 0 1 385.460 3.349 20 0 GGADMN COc1cccc([C@@H]2C[N@@H+](Cc3cc(C)c(OCC(=O)[O-])c(C)c3)CCO2)c1 ZINC000901430918 980280316 /nfs/dbraw/zinc/28/03/16/980280316.db2.gz OFBSUDNLFHYEOD-FQEVSTJZSA-N 0 1 385.460 3.349 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026143 980287330 /nfs/dbraw/zinc/28/73/30/980287330.db2.gz RFFQWXZASPQOMV-YCRPNKLZSA-N 0 1 386.879 3.246 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026141 980287372 /nfs/dbraw/zinc/28/73/72/980287372.db2.gz RFFQWXZASPQOMV-QVKFZJNVSA-N 0 1 386.879 3.246 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000901440536 980289234 /nfs/dbraw/zinc/28/92/34/980289234.db2.gz VSZBENHATSLIMG-HXUWFJFHSA-N 0 1 378.472 3.303 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000901469972 980301987 /nfs/dbraw/zinc/30/19/87/980301987.db2.gz NMCJBDIVQWBBPQ-SBUREZEXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000901469972 980301990 /nfs/dbraw/zinc/30/19/90/980301990.db2.gz NMCJBDIVQWBBPQ-SBUREZEXSA-N 0 1 397.471 3.344 20 0 GGADMN CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC001595279632 980321852 /nfs/dbraw/zinc/32/18/52/980321852.db2.gz UBMKGBXTDFDGGQ-KZULUSFZSA-N 0 1 376.403 3.409 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cn(-c3ccc(Cl)cc3Cl)nn1)C2 ZINC000901520322 980338415 /nfs/dbraw/zinc/33/84/15/980338415.db2.gz WBDZGOQTDYZGMM-GTNSWQLSSA-N 0 1 381.263 3.261 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc(OC)c1OCC(F)F ZINC000901520651 980338675 /nfs/dbraw/zinc/33/86/75/980338675.db2.gz YIJPZGLTFHCNGD-DJJJIMSYSA-N 0 1 385.407 3.034 20 0 GGADMN COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000901522696 980340903 /nfs/dbraw/zinc/34/09/03/980340903.db2.gz IVBQNTVDVNNPMU-UHFFFAOYSA-N 0 1 385.251 3.129 20 0 GGADMN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1OCC ZINC000901526298 980351912 /nfs/dbraw/zinc/35/19/12/980351912.db2.gz SYBAIUIEHJDETA-MRXNPFEDSA-N 0 1 388.468 3.001 20 0 GGADMN C[C@H](NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593052167 980352953 /nfs/dbraw/zinc/35/29/53/980352953.db2.gz ALLYCECDUAYSGD-IUKKYPGJSA-N 0 1 399.535 3.077 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)nn1 ZINC000901527075 980354227 /nfs/dbraw/zinc/35/42/27/980354227.db2.gz PGCQPFQDEDBBPO-INIZCTEOSA-N 0 1 397.504 3.055 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000901541877 980370753 /nfs/dbraw/zinc/37/07/53/980370753.db2.gz LKZNBVBNKMSADK-QFIPXVFZSA-N 0 1 395.434 3.354 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC000901543113 980371750 /nfs/dbraw/zinc/37/17/50/980371750.db2.gz LUHRBSVOWPGVMW-GOSISDBHSA-N 0 1 380.803 3.342 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1)C(=O)[O-] ZINC000901544583 980373755 /nfs/dbraw/zinc/37/37/55/980373755.db2.gz XCZLOPAYBVRFQU-KRWDZBQOSA-N 0 1 393.487 3.338 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000901626426 980411388 /nfs/dbraw/zinc/41/13/88/980411388.db2.gz ZTRROSCCFASQMA-IRLDBZIGSA-N 0 1 392.499 3.440 20 0 GGADMN CC[C@]([NH2+]Cc1c(Cl)ncnc1N(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595298290 980415009 /nfs/dbraw/zinc/41/50/09/980415009.db2.gz FRCQZSNUBMUCTN-QGZVFWFLSA-N 0 1 383.279 3.329 20 0 GGADMN CC[C@H]([NH2+]Cc1ccc(C(=O)[O-])c2cccnc12)c1nnc2n1CCCCC2 ZINC001595299163 980424659 /nfs/dbraw/zinc/42/46/59/980424659.db2.gz LUDQMQJMSYVAJJ-KRWDZBQOSA-N 0 1 379.464 3.492 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@H]1C(=O)[O-] ZINC000901647866 980425612 /nfs/dbraw/zinc/42/56/12/980425612.db2.gz KPHBLVYOGKXGGA-NXWXRZEISA-N 0 1 398.528 3.143 20 0 GGADMN Cn1nc(C(F)(F)F)cc1C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901653312 980429883 /nfs/dbraw/zinc/42/98/83/980429883.db2.gz GIOGPESCMOAXST-UHFFFAOYSA-N 0 1 377.313 3.194 20 0 GGADMN Cn1nc(C(F)(F)F)cc1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901653312 980429885 /nfs/dbraw/zinc/42/98/85/980429885.db2.gz GIOGPESCMOAXST-UHFFFAOYSA-N 0 1 377.313 3.194 20 0 GGADMN CC[C@@]([NH2+]Cc1cn(C)nc1Br)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304762 980439805 /nfs/dbraw/zinc/43/98/05/980439805.db2.gz HLHKEKJZMYSASE-HNNXBMFYSA-N 0 1 386.677 3.316 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@H]1CCCO1 ZINC000901683803 980448255 /nfs/dbraw/zinc/44/82/55/980448255.db2.gz ZZLLIEYGTTWJQC-QGZVFWFLSA-N 0 1 377.872 3.041 20 0 GGADMN CC[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccc(OC)c(OC)c1 ZINC001595305832 980451777 /nfs/dbraw/zinc/45/17/77/980451777.db2.gz NGLZQDSZGNBREP-HNNXBMFYSA-N 0 1 397.431 3.292 20 0 GGADMN Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000901781469 980511612 /nfs/dbraw/zinc/51/16/12/980511612.db2.gz MNFPRWPOUUIMGB-UHFFFAOYSA-N 0 1 392.175 3.189 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785048 980514631 /nfs/dbraw/zinc/51/46/31/980514631.db2.gz BRXLMMJHDJIUHI-KRWDZBQOSA-N 0 1 385.361 3.467 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901787756 980517862 /nfs/dbraw/zinc/51/78/62/980517862.db2.gz RITYOHWEOIZADD-GOSISDBHSA-N 0 1 381.398 3.387 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(SC)cc1OC ZINC000901788545 980518866 /nfs/dbraw/zinc/51/88/66/980518866.db2.gz HOBKYGVNCAAHTH-OAHLLOKOSA-N 0 1 379.400 3.265 20 0 GGADMN Cn1c(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)nc2cc(C(F)(F)F)ccc21 ZINC000901789476 980519702 /nfs/dbraw/zinc/51/97/02/980519702.db2.gz LYMXXLIQCQTJBD-CQSZACIVSA-N 0 1 395.303 3.431 20 0 GGADMN Cn1c(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)nc2cc(C(F)(F)F)ccc21 ZINC000901789476 980519707 /nfs/dbraw/zinc/51/97/07/980519707.db2.gz LYMXXLIQCQTJBD-CQSZACIVSA-N 0 1 395.303 3.431 20 0 GGADMN Cc1nn2c(C[N@@H+]3CC[C@](C(=O)[O-])(C(F)(F)F)C3)c(C(C)C)nc2s1 ZINC000901790130 980521931 /nfs/dbraw/zinc/52/19/31/980521931.db2.gz SUYUMVBTDQZFTL-AWEZNQCLSA-N 0 1 376.404 3.062 20 0 GGADMN Cc1nn2c(C[N@H+]3CC[C@](C(=O)[O-])(C(F)(F)F)C3)c(C(C)C)nc2s1 ZINC000901790130 980521939 /nfs/dbraw/zinc/52/19/39/980521939.db2.gz SUYUMVBTDQZFTL-AWEZNQCLSA-N 0 1 376.404 3.062 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000901824501 980544036 /nfs/dbraw/zinc/54/40/36/980544036.db2.gz AAENBDDXUKAIMF-HXUWFJFHSA-N 0 1 391.370 3.245 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000901824731 980544201 /nfs/dbraw/zinc/54/42/01/980544201.db2.gz BECQHBIKNFPFJO-KRWDZBQOSA-N 0 1 379.229 3.212 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000901824731 980544206 /nfs/dbraw/zinc/54/42/06/980544206.db2.gz BECQHBIKNFPFJO-KRWDZBQOSA-N 0 1 379.229 3.212 20 0 GGADMN COc1ccccc1-n1nccc1C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000901825754 980545734 /nfs/dbraw/zinc/54/57/34/980545734.db2.gz AJDWVEAXADPRJS-QFIPXVFZSA-N 0 1 377.444 3.109 20 0 GGADMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(C(=O)[O-])cc1Br ZINC001595327197 980546036 /nfs/dbraw/zinc/54/60/36/980546036.db2.gz HCTQXBOHIWYJHE-CABCVRRESA-N 0 1 386.286 3.281 20 0 GGADMN Cc1nn2c(C[N@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000901826147 980546220 /nfs/dbraw/zinc/54/62/20/980546220.db2.gz GUGPQDSABCKQOX-FQEVSTJZSA-N 0 1 384.505 3.451 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(Cl)nn1 ZINC000901856471 980579322 /nfs/dbraw/zinc/57/93/22/980579322.db2.gz CZUUDIDTLGMONS-UHFFFAOYSA-N 0 1 384.661 3.369 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cnc2n1CCC2)Cc1cccc(Br)c1 ZINC000901857398 980579422 /nfs/dbraw/zinc/57/94/22/980579422.db2.gz JALOQFKREUEZDG-UHFFFAOYSA-N 0 1 378.270 3.069 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901888415 980600432 /nfs/dbraw/zinc/60/04/32/980600432.db2.gz ANDWWNDMOONWPT-ZDUSSCGKSA-N 0 1 381.448 3.017 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2)C1 ZINC000901927257 980631536 /nfs/dbraw/zinc/63/15/36/980631536.db2.gz IYJOHJVQLQLNNF-LOWQCSRCSA-N 0 1 384.432 3.350 20 0 GGADMN COc1cc(C[NH2+]Cc2cc(C)c(C(=O)[O-])o2)cc(OC)c1OCC(F)F ZINC000901936876 980640347 /nfs/dbraw/zinc/64/03/47/980640347.db2.gz COSWUZFMVWUKOX-UHFFFAOYSA-N 0 1 385.363 3.237 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]1COCC2 ZINC000901951782 980647811 /nfs/dbraw/zinc/64/78/11/980647811.db2.gz JASLQWPFPBEOGY-PGRDOPGGSA-N 0 1 385.435 3.328 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000901968208 980655192 /nfs/dbraw/zinc/65/51/92/980655192.db2.gz BBAVETQSPHGBNE-CLFYSBASSA-N 0 1 388.851 3.379 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000901968208 980655194 /nfs/dbraw/zinc/65/51/94/980655194.db2.gz BBAVETQSPHGBNE-CLFYSBASSA-N 0 1 388.851 3.379 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000901981420 980660963 /nfs/dbraw/zinc/66/09/63/980660963.db2.gz BXTSEBVRLWKYJL-JTQLQIEISA-N 0 1 396.253 3.443 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000901981420 980660964 /nfs/dbraw/zinc/66/09/64/980660964.db2.gz BXTSEBVRLWKYJL-JTQLQIEISA-N 0 1 396.253 3.443 20 0 GGADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCOCC2)cc(C)c1OCc1ccccn1 ZINC000901983220 980661518 /nfs/dbraw/zinc/66/15/18/980661518.db2.gz DECYBJRFNVCCGS-UHFFFAOYSA-N 0 1 384.476 3.343 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000901983257 980663231 /nfs/dbraw/zinc/66/32/31/980663231.db2.gz OWGKNPUBIIPYGZ-HNNXBMFYSA-N 0 1 396.310 3.027 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000901983258 980663457 /nfs/dbraw/zinc/66/34/57/980663457.db2.gz OWGKNPUBIIPYGZ-OAHLLOKOSA-N 0 1 396.310 3.027 20 0 GGADMN C[C@@H](C[N@H+](Cc1ncc(Br)cc1Br)C1CC1)C(=O)[O-] ZINC000901994627 980673982 /nfs/dbraw/zinc/67/39/82/980673982.db2.gz SXGRDPIRDRADLO-QMMMGPOBSA-N 0 1 392.091 3.292 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ncc(Br)cc1Br)C1CC1)C(=O)[O-] ZINC000901994627 980673986 /nfs/dbraw/zinc/67/39/86/980673986.db2.gz SXGRDPIRDRADLO-QMMMGPOBSA-N 0 1 392.091 3.292 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cn(C(C)C)nc1C)CC2 ZINC000902001091 980676665 /nfs/dbraw/zinc/67/66/65/980676665.db2.gz NWXKJWYTPGZUQK-GOSISDBHSA-N 0 1 387.480 3.364 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cn(C(C)C)nc1C)CC2 ZINC000902001091 980676670 /nfs/dbraw/zinc/67/66/70/980676670.db2.gz NWXKJWYTPGZUQK-GOSISDBHSA-N 0 1 387.480 3.364 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cnn(C(C)(C)C)c1)CC2 ZINC000902001174 980678369 /nfs/dbraw/zinc/67/83/69/980678369.db2.gz QFRWGXHLJGHANI-KRWDZBQOSA-N 0 1 387.480 3.229 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cnn(C(C)(C)C)c1)CC2 ZINC000902001174 980678373 /nfs/dbraw/zinc/67/83/73/980678373.db2.gz QFRWGXHLJGHANI-KRWDZBQOSA-N 0 1 387.480 3.229 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cnn(C(C)(C)C)c1)CC2 ZINC000902001175 980678734 /nfs/dbraw/zinc/67/87/34/980678734.db2.gz QFRWGXHLJGHANI-QGZVFWFLSA-N 0 1 387.480 3.229 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cnn(C(C)(C)C)c1)CC2 ZINC000902001175 980678738 /nfs/dbraw/zinc/67/87/38/980678738.db2.gz QFRWGXHLJGHANI-QGZVFWFLSA-N 0 1 387.480 3.229 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)ncn3C)CC2 ZINC000902001952 980679731 /nfs/dbraw/zinc/67/97/31/980679731.db2.gz XEHRUUGXBOORBO-LJQANCHMSA-N 0 1 395.459 3.165 20 0 GGADMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000902001946 980680038 /nfs/dbraw/zinc/68/00/38/980680038.db2.gz KJYIKKWKAIWPCN-KRWDZBQOSA-N 0 1 377.387 3.219 20 0 GGADMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000902001946 980680043 /nfs/dbraw/zinc/68/00/43/980680043.db2.gz KJYIKKWKAIWPCN-KRWDZBQOSA-N 0 1 377.387 3.219 20 0 GGADMN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000902003031 980681624 /nfs/dbraw/zinc/68/16/24/980681624.db2.gz VNHWJKWKCJODLX-HXUWFJFHSA-N 0 1 395.434 3.354 20 0 GGADMN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000902003031 980681626 /nfs/dbraw/zinc/68/16/26/980681626.db2.gz VNHWJKWKCJODLX-HXUWFJFHSA-N 0 1 395.434 3.354 20 0 GGADMN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000902003030 980681963 /nfs/dbraw/zinc/68/19/63/980681963.db2.gz VNHWJKWKCJODLX-FQEVSTJZSA-N 0 1 395.434 3.354 20 0 GGADMN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000902003030 980681965 /nfs/dbraw/zinc/68/19/65/980681965.db2.gz VNHWJKWKCJODLX-FQEVSTJZSA-N 0 1 395.434 3.354 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1OCc1cccnc1 ZINC000902006613 980683703 /nfs/dbraw/zinc/68/37/03/980683703.db2.gz GZPCCKLOMNOIJJ-UEXGIBASSA-N 0 1 382.460 3.354 20 0 GGADMN CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902007712 980685100 /nfs/dbraw/zinc/68/51/00/980685100.db2.gz OWJZYOVCSQKZCH-OAHLLOKOSA-N 0 1 386.286 3.304 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000902009178 980686931 /nfs/dbraw/zinc/68/69/31/980686931.db2.gz ACRBJSIKLLMRLU-HXUWFJFHSA-N 0 1 376.460 3.433 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])ccc1OCc1ccncc1 ZINC000902008953 980686941 /nfs/dbraw/zinc/68/69/41/980686941.db2.gz TUGCBSQOSVLFRG-WAOWUJCRSA-N 0 1 382.460 3.354 20 0 GGADMN Cc1cc(Br)cn2c(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cnc12 ZINC000902010279 980689083 /nfs/dbraw/zinc/68/90/83/980689083.db2.gz CORZRNRQCSYEPF-TUKIKUTGSA-N 0 1 378.270 3.090 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC000902035271 980706661 /nfs/dbraw/zinc/70/66/61/980706661.db2.gz SXRCLZRLEXOQJE-UXHICEINSA-N 0 1 384.476 3.341 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000902034599 980706911 /nfs/dbraw/zinc/70/69/11/980706911.db2.gz RAKSBBMCDIBLHN-ZYHUDNBSSA-N 0 1 394.212 3.115 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000902037258 980708660 /nfs/dbraw/zinc/70/86/60/980708660.db2.gz ZCOVSNWADQOSJG-KBPBESRZSA-N 0 1 391.386 3.090 20 0 GGADMN CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000902130180 980748879 /nfs/dbraw/zinc/74/88/79/980748879.db2.gz DVVJHUUUGKQMPA-OAHLLOKOSA-N 0 1 386.448 3.008 20 0 GGADMN CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000902130180 980748881 /nfs/dbraw/zinc/74/88/81/980748881.db2.gz DVVJHUUUGKQMPA-OAHLLOKOSA-N 0 1 386.448 3.008 20 0 GGADMN Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC000902132187 980750999 /nfs/dbraw/zinc/75/09/99/980750999.db2.gz ZEIRDWDDCPHLAN-UHFFFAOYSA-N 0 1 384.476 3.454 20 0 GGADMN Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC000902132187 980751000 /nfs/dbraw/zinc/75/10/00/980751000.db2.gz ZEIRDWDDCPHLAN-UHFFFAOYSA-N 0 1 384.476 3.454 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000902144023 980755456 /nfs/dbraw/zinc/75/54/56/980755456.db2.gz LVVUPCFDAOYMNX-OAQYLSRUSA-N 0 1 396.487 3.133 20 0 GGADMN CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001595360885 980755831 /nfs/dbraw/zinc/75/58/31/980755831.db2.gz PCKCOJPORJFMPO-IBGZPJMESA-N 0 1 378.432 3.254 20 0 GGADMN Cc1c([C@H](C)[NH2+]C2CCN(CCCC(=O)[O-])CC2)cnn1-c1ccc(F)cc1 ZINC000902193595 980777137 /nfs/dbraw/zinc/77/71/37/980777137.db2.gz VGWPOQKXVFKZCM-HNNXBMFYSA-N 0 1 388.487 3.300 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CCc1c(C)nc2ccccn2c1=O)CC(=O)[O-] ZINC001595363696 980785590 /nfs/dbraw/zinc/78/55/90/980785590.db2.gz IWTKLMBHRNKMJN-IBGZPJMESA-N 0 1 379.460 3.083 20 0 GGADMN CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595364535 980794694 /nfs/dbraw/zinc/79/46/94/980794694.db2.gz XLUXCGMKIZLKEE-UXHICEINSA-N 0 1 396.487 3.116 20 0 GGADMN CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595364535 980794699 /nfs/dbraw/zinc/79/46/99/980794699.db2.gz XLUXCGMKIZLKEE-UXHICEINSA-N 0 1 396.487 3.116 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)Oc1ccccc1Br ZINC000902315622 980829792 /nfs/dbraw/zinc/82/97/92/980829792.db2.gz FIRSEQAXSHXACZ-AWEZNQCLSA-N 0 1 399.329 3.135 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000902323223 980831820 /nfs/dbraw/zinc/83/18/20/980831820.db2.gz AMQJRHGUXHVWGP-LBPRGKRZSA-N 0 1 378.416 3.069 20 0 GGADMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001595369443 980838498 /nfs/dbraw/zinc/83/84/98/980838498.db2.gz ZTCPRVVRAQTXIT-OAQYLSRUSA-N 0 1 390.480 3.157 20 0 GGADMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001595369443 980838502 /nfs/dbraw/zinc/83/85/02/980838502.db2.gz ZTCPRVVRAQTXIT-OAQYLSRUSA-N 0 1 390.480 3.157 20 0 GGADMN O=C([O-])C[NH+]1CCC(NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000902357889 980851422 /nfs/dbraw/zinc/85/14/22/980851422.db2.gz CWBRJGOWNXMTAO-UHFFFAOYSA-N 0 1 381.687 3.164 20 0 GGADMN O=C([O-])CN1CCC([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000902357889 980851424 /nfs/dbraw/zinc/85/14/24/980851424.db2.gz CWBRJGOWNXMTAO-UHFFFAOYSA-N 0 1 381.687 3.164 20 0 GGADMN CCc1oc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1C(=O)[O-] ZINC000902365833 980854975 /nfs/dbraw/zinc/85/49/75/980854975.db2.gz GPJKAQDWSARZLN-OAHLLOKOSA-N 0 1 380.803 3.228 20 0 GGADMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001595374163 980880873 /nfs/dbraw/zinc/88/08/73/980880873.db2.gz VZBRKYAJDNAFNA-GJZGRUSLSA-N 0 1 394.537 3.399 20 0 GGADMN COCC[C@H](NC1CC[NH+](CC(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000902456904 980895905 /nfs/dbraw/zinc/89/59/05/980895905.db2.gz ACBBBWKSISJPBB-INIZCTEOSA-N 0 1 375.296 3.210 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000902512462 980915592 /nfs/dbraw/zinc/91/55/92/980915592.db2.gz NEMWFNMDZPSBRC-XYJFISCASA-N 0 1 376.497 3.055 20 0 GGADMN O=C([O-])c1cc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cs1 ZINC000902520328 980918259 /nfs/dbraw/zinc/91/82/59/980918259.db2.gz GFKWVFOUNASUFI-INIZCTEOSA-N 0 1 386.473 3.374 20 0 GGADMN O=C([O-])c1cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cs1 ZINC000902520328 980918262 /nfs/dbraw/zinc/91/82/62/980918262.db2.gz GFKWVFOUNASUFI-INIZCTEOSA-N 0 1 386.473 3.374 20 0 GGADMN COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000902545354 980928348 /nfs/dbraw/zinc/92/83/48/980928348.db2.gz VZTZUJHDMZKMDD-SFHVURJKSA-N 0 1 379.888 3.448 20 0 GGADMN COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000902545354 980928351 /nfs/dbraw/zinc/92/83/51/980928351.db2.gz VZTZUJHDMZKMDD-SFHVURJKSA-N 0 1 379.888 3.448 20 0 GGADMN CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001595384552 980932435 /nfs/dbraw/zinc/93/24/35/980932435.db2.gz VWSSHWCIVJGBIH-HXUWFJFHSA-N 0 1 387.505 3.196 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1OC(F)(F)F ZINC000902566319 980935485 /nfs/dbraw/zinc/93/54/85/980935485.db2.gz SHRHBOXONFIEJL-NSHDSACASA-N 0 1 383.248 3.243 20 0 GGADMN Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000902567061 980936342 /nfs/dbraw/zinc/93/63/42/980936342.db2.gz WSTXYMKOGARHEE-GFCCVEGCSA-N 0 1 397.275 3.253 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000903603251 980984628 /nfs/dbraw/zinc/98/46/28/980984628.db2.gz MXWMAHDPWDPCFO-CJNGLKHVSA-N 0 1 380.282 3.362 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000903603255 980985117 /nfs/dbraw/zinc/98/51/17/980985117.db2.gz MXWMAHDPWDPCFO-XJKSGUPXSA-N 0 1 380.282 3.362 20 0 GGADMN Cc1cc2ncn(C[C@H](O)C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-])c2cc1C ZINC000903621076 980997573 /nfs/dbraw/zinc/99/75/73/980997573.db2.gz OQCJAOKMJGVJAA-QGZVFWFLSA-N 0 1 375.513 3.083 20 0 GGADMN CCCCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC000903623270 980999241 /nfs/dbraw/zinc/99/92/41/980999241.db2.gz NTDBMLSYMUUZGG-KRWDZBQOSA-N 0 1 386.286 3.040 20 0 GGADMN CCCCCOc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC000903623270 980999245 /nfs/dbraw/zinc/99/92/45/980999245.db2.gz NTDBMLSYMUUZGG-KRWDZBQOSA-N 0 1 386.286 3.040 20 0 GGADMN Cn1ccc([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903630994 981006713 /nfs/dbraw/zinc/00/67/13/981006713.db2.gz JFQADFSSOXRCOC-BBRMVZONSA-N 0 1 378.270 3.188 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631365 981008109 /nfs/dbraw/zinc/00/81/09/981008109.db2.gz RDOSFMFIBIXXFF-WBMJQRKESA-N 0 1 378.270 3.188 20 0 GGADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3C[C@@H](C)[C@H](CC(=O)[O-])C3)cc2)cc1 ZINC000903631635 981008708 /nfs/dbraw/zinc/00/87/08/981008708.db2.gz VFYXDHNRUWEZRN-SJLPKXTDSA-N 0 1 387.501 3.370 20 0 GGADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3C[C@@H](C)[C@H](CC(=O)[O-])C3)cc2)cc1 ZINC000903631635 981008712 /nfs/dbraw/zinc/00/87/12/981008712.db2.gz VFYXDHNRUWEZRN-SJLPKXTDSA-N 0 1 387.501 3.370 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])s3)C2)nc1C ZINC000903693626 981015140 /nfs/dbraw/zinc/01/51/40/981015140.db2.gz INMNOHXFTNCTDC-NSHDSACASA-N 0 1 380.491 3.377 20 0 GGADMN CC[C@@H]1C[C@@H](C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])CCO1 ZINC001595413822 981017292 /nfs/dbraw/zinc/01/72/92/981017292.db2.gz SKXRPOUGXRAJFF-LESCRADOSA-N 0 1 377.481 3.283 20 0 GGADMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3Br)C2)n1 ZINC000903887794 981021883 /nfs/dbraw/zinc/02/18/83/981021883.db2.gz FBDABVXGWRGAAE-LBPRGKRZSA-N 0 1 380.242 3.218 20 0 GGADMN CCOC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC000903891633 981023546 /nfs/dbraw/zinc/02/35/46/981023546.db2.gz RALABZAKLJOWQM-GFCCVEGCSA-N 0 1 386.286 3.404 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c(Br)cc1C(=O)[O-] ZINC000903899042 981027357 /nfs/dbraw/zinc/02/73/57/981027357.db2.gz VVTZESQLVDFRQR-CYBMUJFWSA-N 0 1 386.286 3.403 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c(Br)cc1C(=O)[O-] ZINC000903899042 981027364 /nfs/dbraw/zinc/02/73/64/981027364.db2.gz VVTZESQLVDFRQR-CYBMUJFWSA-N 0 1 386.286 3.403 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c(Br)cc1C(=O)[O-] ZINC000903907265 981031839 /nfs/dbraw/zinc/03/18/39/981031839.db2.gz KBCDLQPECNFDRT-OAHLLOKOSA-N 0 1 386.286 3.403 20 0 GGADMN Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC000903923699 981039400 /nfs/dbraw/zinc/03/94/00/981039400.db2.gz AINMDUIOJAIZMV-AWEZNQCLSA-N 0 1 384.461 3.113 20 0 GGADMN Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC000903923699 981039404 /nfs/dbraw/zinc/03/94/04/981039404.db2.gz AINMDUIOJAIZMV-AWEZNQCLSA-N 0 1 384.461 3.113 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924033 981041019 /nfs/dbraw/zinc/04/10/19/981041019.db2.gz HASUHFAFQLBONJ-GWCFXTLKSA-N 0 1 386.395 3.383 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000903925402 981043528 /nfs/dbraw/zinc/04/35/28/981043528.db2.gz UVZXXQBHYWKDEG-HNNXBMFYSA-N 0 1 398.488 3.143 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000903926245 981044707 /nfs/dbraw/zinc/04/47/07/981044707.db2.gz AEHSJYDMCOCJKV-YPMHNXCESA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cccc2c1OCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000903927427 981045912 /nfs/dbraw/zinc/04/59/12/981045912.db2.gz KTUXLXDVRZARGP-HNNXBMFYSA-N 0 1 395.377 3.202 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000903928978 981049211 /nfs/dbraw/zinc/04/92/11/981049211.db2.gz UFKMAOVOOJCSFP-GOSISDBHSA-N 0 1 399.834 3.453 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000903931923 981053167 /nfs/dbraw/zinc/05/31/67/981053167.db2.gz YWHIYIZWJKGKED-RDJZCZTQSA-N 0 1 381.350 3.259 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c1 ZINC000903941462 981062437 /nfs/dbraw/zinc/06/24/37/981062437.db2.gz OUDUHQDPNMGMEO-ZLIFDBKOSA-N 0 1 398.297 3.302 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@H]([C@@H]2CCCO2)C1 ZINC000903941633 981063145 /nfs/dbraw/zinc/06/31/45/981063145.db2.gz RHDUZDFUJZSOAK-CCKFTAQKSA-N 0 1 389.883 3.370 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000903942168 981064220 /nfs/dbraw/zinc/06/42/20/981064220.db2.gz AXPRDIZRGSLDEW-IWCQGFGOSA-N 0 1 387.398 3.083 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@H]([C@@H]2CCCO2)C1 ZINC000903942663 981064937 /nfs/dbraw/zinc/06/49/37/981064937.db2.gz XVKXPTGWPOXKLS-MNEFBYGVSA-N 0 1 383.448 3.113 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H]([C@H]2CCCO2)C1 ZINC000903942345 981065106 /nfs/dbraw/zinc/06/51/06/981065106.db2.gz WOFSKSPSNKCQNI-KLWIRTJPSA-N 0 1 388.291 3.371 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2Br)[C@H]([C@H]2CCCO2)C1 ZINC000903942415 981065215 /nfs/dbraw/zinc/06/52/15/981065215.db2.gz XASVGKJGCPFEEQ-UKPHBRMFSA-N 0 1 398.297 3.172 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)[C@H]([C@@H]2CCCO2)C1 ZINC000903942738 981066537 /nfs/dbraw/zinc/06/65/37/981066537.db2.gz YFYRCFIZYKETNB-COXVUDFISA-N 0 1 387.398 3.428 20 0 GGADMN Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C[C@H]3[C@@H]3CCCO3)cc2)n1 ZINC000903943210 981067056 /nfs/dbraw/zinc/06/70/56/981067056.db2.gz GROBXAFMQWDKEV-JBACZVJFSA-N 0 1 383.492 3.333 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903943592 981068114 /nfs/dbraw/zinc/06/81/14/981068114.db2.gz LWKCRCWBGREEGH-OIISXLGYSA-N 0 1 387.398 3.472 20 0 GGADMN O=C([O-])c1cccc(OCC[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000903944921 981069858 /nfs/dbraw/zinc/06/98/58/981069858.db2.gz PWDNEFKVXAFABP-ZDUSSCGKSA-N 0 1 381.354 3.062 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)ccc1OC(F)F ZINC000903945030 981071178 /nfs/dbraw/zinc/07/11/78/981071178.db2.gz UOEMZOFCBIWSCS-KKUMJFAQSA-N 0 1 385.407 3.141 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCCc2nc(-c3ccccc3)no2)c1 ZINC000905370993 981093980 /nfs/dbraw/zinc/09/39/80/981093980.db2.gz MIWWXIISMFKAIF-IBGZPJMESA-N 0 1 381.432 3.436 20 0 GGADMN 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20 0 GGADMN COCCCOc1cccc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000905749939 981138097 /nfs/dbraw/zinc/13/80/97/981138097.db2.gz PBOALDKIDPYSQT-HNNXBMFYSA-N 0 1 376.478 3.246 20 0 GGADMN C[C@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905752959 981140874 /nfs/dbraw/zinc/14/08/74/981140874.db2.gz XVFULLOATGJNPE-QFBILLFUSA-N 0 1 378.476 3.443 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000905795136 981153178 /nfs/dbraw/zinc/15/31/78/981153178.db2.gz NVXPSXAQRXTEMP-XVLXNVKGSA-N 0 1 380.492 3.201 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796799 981154869 /nfs/dbraw/zinc/15/48/69/981154869.db2.gz IMSKXXNSCHXPOY-QZTJIDSGSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796799 981154870 /nfs/dbraw/zinc/15/48/70/981154870.db2.gz IMSKXXNSCHXPOY-QZTJIDSGSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796803 981155014 /nfs/dbraw/zinc/15/50/14/981155014.db2.gz IMSKXXNSCHXPOY-ZWKOTPCHSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796803 981155015 /nfs/dbraw/zinc/15/50/15/981155015.db2.gz IMSKXXNSCHXPOY-ZWKOTPCHSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ncn1 ZINC000906144929 981167383 /nfs/dbraw/zinc/16/73/83/981167383.db2.gz RCMPJUVKHDBVQH-UHFFFAOYSA-N 0 1 391.269 3.014 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1c1cc(C(=O)[O-])ncn1 ZINC000906146071 981168043 /nfs/dbraw/zinc/16/80/43/981168043.db2.gz ZHPYMMNCLFKQCY-LJQANCHMSA-N 0 1 382.508 3.344 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001595470665 981169768 /nfs/dbraw/zinc/16/97/68/981169768.db2.gz BBGWRKGHVBLSOP-NRFANRHFSA-N 0 1 395.503 3.120 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000907583033 981196489 /nfs/dbraw/zinc/19/64/89/981196489.db2.gz XRNFZDHOOQHULL-MDASCCDHSA-N 0 1 386.879 3.145 20 0 GGADMN CC[C@H]1CN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595481761 981202812 /nfs/dbraw/zinc/20/28/12/981202812.db2.gz AYRQAVBCKHOAGQ-SFHVURJKSA-N 0 1 383.492 3.109 20 0 GGADMN CC[C@@H]1CN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595481755 981202913 /nfs/dbraw/zinc/20/29/13/981202913.db2.gz AYRQAVBCKHOAGQ-GOSISDBHSA-N 0 1 383.492 3.109 20 0 GGADMN C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(C(=O)[O-])CC1 ZINC000907652414 981204581 /nfs/dbraw/zinc/20/45/81/981204581.db2.gz MXQJFNCFFVNUAA-NFBKMPQASA-N 0 1 392.499 3.057 20 0 GGADMN CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595483075 981210799 /nfs/dbraw/zinc/21/07/99/981210799.db2.gz MAXNUEYDUCEWDP-GOSISDBHSA-N 0 1 381.476 3.362 20 0 GGADMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595483750 981214232 /nfs/dbraw/zinc/21/42/32/981214232.db2.gz QKYBCMYBQQTZAU-GFCCVEGCSA-N 0 1 384.274 3.095 20 0 GGADMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001595484199 981217534 /nfs/dbraw/zinc/21/75/34/981217534.db2.gz PJHHCCQMVSSDOZ-CVEARBPZSA-N 0 1 382.888 3.138 20 0 GGADMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001595484199 981217538 /nfs/dbraw/zinc/21/75/38/981217538.db2.gz PJHHCCQMVSSDOZ-CVEARBPZSA-N 0 1 382.888 3.138 20 0 GGADMN CC[C@H]1C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)[C@@H](CC)CN1C(C)=O ZINC001595484200 981217781 /nfs/dbraw/zinc/21/77/81/981217781.db2.gz PJHHCCQMVSSDOZ-HOTGVXAUSA-N 0 1 382.888 3.138 20 0 GGADMN CC[C@H]1C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)[C@@H](CC)CN1C(C)=O ZINC001595484200 981217787 /nfs/dbraw/zinc/21/77/87/981217787.db2.gz PJHHCCQMVSSDOZ-HOTGVXAUSA-N 0 1 382.888 3.138 20 0 GGADMN CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001595484393 981220490 /nfs/dbraw/zinc/22/04/90/981220490.db2.gz XMJWEEUNCQTTCM-NSHDSACASA-N 0 1 384.274 3.014 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000907800941 981224163 /nfs/dbraw/zinc/22/41/63/981224163.db2.gz VSRGXUGSHPSXLF-TXTKFYIRSA-N 0 1 378.472 3.026 20 0 GGADMN CC[C@H]1CN([C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001595484699 981224570 /nfs/dbraw/zinc/22/45/70/981224570.db2.gz XGQXMIVPHBIORX-SFTDATJTSA-N 0 1 396.487 3.195 20 0 GGADMN CC1(C)CN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000907813431 981226333 /nfs/dbraw/zinc/22/63/33/981226333.db2.gz ZPLVWIXZKQPEOY-GBXCKJPGSA-N 0 1 392.499 3.368 20 0 GGADMN CC[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001595488398 981235143 /nfs/dbraw/zinc/23/51/43/981235143.db2.gz NXFFWKQKMVOZKE-CRAIPNDOSA-N 0 1 392.496 3.389 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)[C@@H]2C1 ZINC000907968132 981247091 /nfs/dbraw/zinc/24/70/91/981247091.db2.gz WEJDCORREBZUGD-RTYCURFASA-N 0 1 385.508 3.109 20 0 GGADMN O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000907981444 981249486 /nfs/dbraw/zinc/24/94/86/981249486.db2.gz FQRHJLMDMVMQNM-HXUWFJFHSA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000907981444 981249491 /nfs/dbraw/zinc/24/94/91/981249491.db2.gz FQRHJLMDMVMQNM-HXUWFJFHSA-N 0 1 382.435 3.468 20 0 GGADMN CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000908034505 981256371 /nfs/dbraw/zinc/25/63/71/981256371.db2.gz BDFQIQMNEUWZLZ-RDJZCZTQSA-N 0 1 375.513 3.499 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCc4ccc(C(=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000908065452 981259060 /nfs/dbraw/zinc/25/90/60/981259060.db2.gz QNQZQOLYTCCNMF-HOTGVXAUSA-N 0 1 394.471 3.197 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000908065490 981259107 /nfs/dbraw/zinc/25/91/07/981259107.db2.gz RZYSNNRPSSZBCQ-GOSISDBHSA-N 0 1 382.435 3.325 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000908065175 981259121 /nfs/dbraw/zinc/25/91/21/981259121.db2.gz NFTVIRZJZKUQMJ-LJQANCHMSA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000908065175 981259124 /nfs/dbraw/zinc/25/91/24/981259124.db2.gz NFTVIRZJZKUQMJ-LJQANCHMSA-N 0 1 382.435 3.468 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4cc(C(=O)[O-])ccc4[nH]3)ccc2NC1=O ZINC001595499865 981268022 /nfs/dbraw/zinc/26/80/22/981268022.db2.gz QGLZHFVLNOFMBJ-APPDUMDISA-N 0 1 394.431 3.221 20 0 GGADMN Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)CC2 ZINC000908418000 981314063 /nfs/dbraw/zinc/31/40/63/981314063.db2.gz DUPSNDQXWGYQIR-BBRMVZONSA-N 0 1 395.381 3.105 20 0 GGADMN Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)CC2 ZINC000908418002 981314740 /nfs/dbraw/zinc/31/47/40/981314740.db2.gz DUPSNDQXWGYQIR-CZUORRHYSA-N 0 1 395.381 3.105 20 0 GGADMN COc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC000908502296 981319396 /nfs/dbraw/zinc/31/93/96/981319396.db2.gz WGUBEUUKVTXDJT-OAHLLOKOSA-N 0 1 386.423 3.383 20 0 GGADMN O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000908583954 981322645 /nfs/dbraw/zinc/32/26/45/981322645.db2.gz WCRSAEZSRHNRMP-OAQYLSRUSA-N 0 1 380.488 3.402 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1Cl ZINC000908686159 981339508 /nfs/dbraw/zinc/33/95/08/981339508.db2.gz XQFQBIGDXUKBQI-SFHVURJKSA-N 0 1 388.851 3.175 20 0 GGADMN CCCC(=O)NC1CC[NH+](Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001595527521 981358427 /nfs/dbraw/zinc/35/84/27/981358427.db2.gz LRUDRGKRQCPRKC-UHFFFAOYSA-N 0 1 383.286 3.028 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3C)cc2F)CC1 ZINC000908834171 981371293 /nfs/dbraw/zinc/37/12/93/981371293.db2.gz ILAAHZAIYQXPSF-UHFFFAOYSA-N 0 1 385.439 3.227 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857775 981379097 /nfs/dbraw/zinc/37/90/97/981379097.db2.gz UDYLTZXKESECKV-HUUCEWRRSA-N 0 1 388.386 3.090 20 0 GGADMN CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909001404 981399206 /nfs/dbraw/zinc/39/92/06/981399206.db2.gz KRQWOJOFHRFKFU-NHCUHLMSSA-N 0 1 380.488 3.225 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC(=O)[O-])C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000909004943 981400654 /nfs/dbraw/zinc/40/06/54/981400654.db2.gz QOPHUCAGTQXIRB-IAGOWNOFSA-N 0 1 388.508 3.155 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000909031332 981405139 /nfs/dbraw/zinc/40/51/39/981405139.db2.gz BPPMZIFHWQCGSH-IFMALSPDSA-N 0 1 392.499 3.152 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2F)CC1 ZINC000909107946 981418058 /nfs/dbraw/zinc/41/80/58/981418058.db2.gz FFKLIMUTLZLAPO-UHFFFAOYSA-N 0 1 389.402 3.057 20 0 GGADMN O=C([O-])COc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000909128817 981423031 /nfs/dbraw/zinc/42/30/31/981423031.db2.gz YEXITTBMHXHIQB-GOSISDBHSA-N 0 1 382.460 3.043 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000909159273 981429200 /nfs/dbraw/zinc/42/92/00/981429200.db2.gz KUYWFIZNXBVFEA-IBGZPJMESA-N 0 1 396.487 3.352 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000909163366 981429909 /nfs/dbraw/zinc/42/99/09/981429909.db2.gz DRRFMGPYZIJQSL-GOSISDBHSA-N 0 1 382.460 3.309 20 0 GGADMN C[NH+](C)[C@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909235444 981439617 /nfs/dbraw/zinc/43/96/17/981439617.db2.gz BGVVILTYHQTRLM-QAPCUYQASA-N 0 1 392.858 3.142 20 0 GGADMN O=C([O-])CCCOc1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000909265529 981452612 /nfs/dbraw/zinc/45/26/12/981452612.db2.gz ZKEKFZHAWDNXSS-HXUWFJFHSA-N 0 1 396.487 3.069 20 0 GGADMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)Nc4ccc(CCC(=O)[O-])cc4)cc3c2C1 ZINC000909283734 981458277 /nfs/dbraw/zinc/45/82/77/981458277.db2.gz GVZBBFFEOWUQBF-UHFFFAOYSA-N 0 1 377.444 3.425 20 0 GGADMN C[N@H+]1CCc2[nH]c3ccc(C(=O)Nc4ccc(CCC(=O)[O-])cc4)cc3c2C1 ZINC000909283734 981458280 /nfs/dbraw/zinc/45/82/80/981458280.db2.gz GVZBBFFEOWUQBF-UHFFFAOYSA-N 0 1 377.444 3.425 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1F ZINC000909295663 981462913 /nfs/dbraw/zinc/46/29/13/981462913.db2.gz HNHPZEHBVSLNRR-PGRDOPGGSA-N 0 1 398.434 3.001 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000909296932 981464148 /nfs/dbraw/zinc/46/41/48/981464148.db2.gz QQYOCCQFTXPOGP-UYAOXDASSA-N 0 1 395.503 3.478 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000909296930 981464184 /nfs/dbraw/zinc/46/41/84/981464184.db2.gz QQYOCCQFTXPOGP-ICSRJNTNSA-N 0 1 395.503 3.478 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000909366094 981472898 /nfs/dbraw/zinc/47/28/98/981472898.db2.gz RAORXXGOTVHFAV-HNNXBMFYSA-N 0 1 388.851 3.264 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)Cc2ccccc21 ZINC000909424145 981491091 /nfs/dbraw/zinc/49/10/91/981491091.db2.gz MFYRZDLPXHIKJI-RBBKRZOGSA-N 0 1 392.499 3.152 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000909452169 981495956 /nfs/dbraw/zinc/49/59/56/981495956.db2.gz CHVGFXWIPYUGBL-FQEVSTJZSA-N 0 1 378.472 3.182 20 0 GGADMN CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000909508112 981516236 /nfs/dbraw/zinc/51/62/36/981516236.db2.gz BOYNQNPITNLFBU-NRFANRHFSA-N 0 1 396.487 3.163 20 0 GGADMN Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000909512544 981519717 /nfs/dbraw/zinc/51/97/17/981519717.db2.gz GPELVISEVPNPSX-UHFFFAOYSA-N 0 1 381.476 3.001 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518975 981525454 /nfs/dbraw/zinc/52/54/54/981525454.db2.gz FPMNMUTWCADKBM-APWZRJJASA-N 0 1 381.476 3.196 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1)C(=O)[O-] ZINC000909521092 981526908 /nfs/dbraw/zinc/52/69/08/981526908.db2.gz UNAUJMRPCNRNCQ-IERDGZPVSA-N 0 1 396.487 3.086 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1)C(=O)[O-] ZINC000909521115 981527723 /nfs/dbraw/zinc/52/77/23/981527723.db2.gz UNAUJMRPCNRNCQ-KKSFZXQISA-N 0 1 396.487 3.086 20 0 GGADMN COc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C(=O)[O-])c1 ZINC000909613804 981550800 /nfs/dbraw/zinc/55/08/00/981550800.db2.gz SRUKFYPESNMLHB-GJZGRUSLSA-N 0 1 398.459 3.255 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(C(=O)[O-])c1 ZINC000909613665 981550846 /nfs/dbraw/zinc/55/08/46/981550846.db2.gz SBPOJGAYPUFROI-QGZVFWFLSA-N 0 1 382.460 3.287 20 0 GGADMN COCc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC000909625471 981553676 /nfs/dbraw/zinc/55/36/76/981553676.db2.gz ABNZMHKEDDMCEC-GOSISDBHSA-N 0 1 382.460 3.382 20 0 GGADMN COCc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000909627274 981555410 /nfs/dbraw/zinc/55/54/10/981555410.db2.gz RKEGWOQSNVXNPW-IBGZPJMESA-N 0 1 386.423 3.273 20 0 GGADMN COCc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000909627274 981555414 /nfs/dbraw/zinc/55/54/14/981555414.db2.gz RKEGWOQSNVXNPW-IBGZPJMESA-N 0 1 386.423 3.273 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000909630358 981558437 /nfs/dbraw/zinc/55/84/37/981558437.db2.gz OAMOAXRNWAJQRI-IPMKNSEASA-N 0 1 390.911 3.374 20 0 GGADMN CCC[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001595599803 981574272 /nfs/dbraw/zinc/57/42/72/981574272.db2.gz CCUIULNBFYDWFS-IBGZPJMESA-N 0 1 385.464 3.475 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000909703875 981577121 /nfs/dbraw/zinc/57/71/21/981577121.db2.gz SDBRWWKCFKYRMV-FPOVZHCZSA-N 0 1 398.478 3.065 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000909731832 981585473 /nfs/dbraw/zinc/58/54/73/981585473.db2.gz AYAAESGJRXJHRC-MRXNPFEDSA-N 0 1 386.423 3.383 20 0 GGADMN CCC[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(F)cc1F ZINC001595601158 981586906 /nfs/dbraw/zinc/58/69/06/981586906.db2.gz VUKGQWOFVIWMHA-AWEZNQCLSA-N 0 1 383.420 3.118 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)[C@@H](C)C(=O)[O-])CC2)[nH+]c1 ZINC000909750655 981589084 /nfs/dbraw/zinc/58/90/84/981589084.db2.gz QIUFADFBJBZPDL-KRWDZBQOSA-N 0 1 381.476 3.108 20 0 GGADMN CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000909784966 981619999 /nfs/dbraw/zinc/61/99/99/981619999.db2.gz LPZJTPRUYCTCHD-SFHVURJKSA-N 0 1 376.840 3.069 20 0 GGADMN C[N@@H+](CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1)CC(C)(C)C ZINC000909808144 981634815 /nfs/dbraw/zinc/63/48/15/981634815.db2.gz XDSGPWJHIOYZCV-UHFFFAOYSA-N 0 1 399.329 3.230 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000909818099 981639803 /nfs/dbraw/zinc/63/98/03/981639803.db2.gz ACVVDXCYCOIUAR-ZHRRBRCNSA-N 0 1 388.508 3.156 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@@H](Cc3ccccc3)C(=O)[O-])CC2)[nH+]c1 ZINC000909820473 981642003 /nfs/dbraw/zinc/64/20/03/981642003.db2.gz QCQFQEMFIZTMGI-FXAWDEMLSA-N 0 1 395.503 3.055 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000909821275 981642738 /nfs/dbraw/zinc/64/27/38/981642738.db2.gz POJOULLNYZIGJE-FDDCHVKYSA-N 0 1 396.487 3.023 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000909821277 981643041 /nfs/dbraw/zinc/64/30/41/981643041.db2.gz POJOULLNYZIGJE-MBSDFSHPSA-N 0 1 396.487 3.023 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000909838320 981659084 /nfs/dbraw/zinc/65/90/84/981659084.db2.gz BGQKWCFUWHWAMS-YWZLYKJASA-N 0 1 382.460 3.011 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000909840204 981661341 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PUBWUTOXCXRWGE-QYZOEREBSA-N 0 1 385.508 3.098 20 0 GGADMN CCC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Br)CC[N@H+]1CCOC ZINC001595624921 981739662 /nfs/dbraw/zinc/73/96/62/981739662.db2.gz JXZWWGQKVMTPRT-MRXNPFEDSA-N 0 1 399.329 3.080 20 0 GGADMN CCC[C@H]1CN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595624994 981740716 /nfs/dbraw/zinc/74/07/16/981740716.db2.gz MGTLLCUEXOQBIV-IBGZPJMESA-N 0 1 397.519 3.499 20 0 GGADMN CCC[C@H]1CN(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC[N@H+]1Cc1ccccc1 ZINC001595625072 981742136 /nfs/dbraw/zinc/74/21/36/981742136.db2.gz NZRGUDZIRACYEH-SFHVURJKSA-N 0 1 383.492 3.191 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000910070000 981752680 /nfs/dbraw/zinc/75/26/80/981752680.db2.gz FDXREAXWKKOJLL-NRFANRHFSA-N 0 1 396.462 3.463 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000910070000 981752688 /nfs/dbraw/zinc/75/26/88/981752688.db2.gz FDXREAXWKKOJLL-NRFANRHFSA-N 0 1 396.462 3.463 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910101068 981759845 /nfs/dbraw/zinc/75/98/45/981759845.db2.gz XUHHFKRCUHHEMB-ACRUOGEOSA-N 0 1 378.472 3.325 20 0 GGADMN C[C@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000910104026 981760011 /nfs/dbraw/zinc/76/00/11/981760011.db2.gz VCNQCUONMQQMPP-CZAAIQMYSA-N 0 1 378.472 3.250 20 0 GGADMN C[C@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000910104026 981760018 /nfs/dbraw/zinc/76/00/18/981760018.db2.gz VCNQCUONMQQMPP-CZAAIQMYSA-N 0 1 378.472 3.250 20 0 GGADMN CC[C@@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1ccc(Br)cc1)CC1CC1 ZINC001594778202 981773883 /nfs/dbraw/zinc/77/38/83/981773883.db2.gz KMVLKCVJJZIFOP-KRWDZBQOSA-N 0 1 383.286 3.353 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627637 981774977 /nfs/dbraw/zinc/77/49/77/981774977.db2.gz NONQSUMFQZIOHO-QWHCGFSZSA-N 0 1 392.481 3.125 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595627637 981774980 /nfs/dbraw/zinc/77/49/80/981774980.db2.gz NONQSUMFQZIOHO-QWHCGFSZSA-N 0 1 392.481 3.125 20 0 GGADMN O=C([O-])c1ccc(F)c2c1CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000910207404 981783062 /nfs/dbraw/zinc/78/30/62/981783062.db2.gz NSOMQXCJEOVXRS-NRFANRHFSA-N 0 1 396.462 3.463 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000910219749 981790700 /nfs/dbraw/zinc/79/07/00/981790700.db2.gz KQNRNOPIBOOPGW-LLVKDONJSA-N 0 1 381.379 3.377 20 0 GGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001595628786 981790854 /nfs/dbraw/zinc/79/08/54/981790854.db2.gz MBZWGCGJKBDZFI-YNEHKIRRSA-N 0 1 382.423 3.407 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1F)C(=O)[O-] ZINC000910226752 981791379 /nfs/dbraw/zinc/79/13/79/981791379.db2.gz BHPDQRHGPXTPIA-UONOGXRCSA-N 0 1 386.423 3.063 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1F)C(=O)[O-] ZINC000910226752 981791381 /nfs/dbraw/zinc/79/13/81/981791381.db2.gz BHPDQRHGPXTPIA-UONOGXRCSA-N 0 1 386.423 3.063 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000910230778 981794604 /nfs/dbraw/zinc/79/46/04/981794604.db2.gz MBQQMJSGXNZYPT-LEWJYISDSA-N 0 1 386.536 3.338 20 0 GGADMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc(OC(=O)C2CC2)c(OC)c1)CC1CC1 ZINC001594787526 981822149 /nfs/dbraw/zinc/82/21/49/981822149.db2.gz HCNFWZWTJKTHQB-OAQYLSRUSA-N 0 1 375.465 3.476 20 0 GGADMN O=C([O-])c1ccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000910287963 981842510 /nfs/dbraw/zinc/84/25/10/981842510.db2.gz OQBXTNDEBMDWCF-UHFFFAOYSA-N 0 1 381.354 3.001 20 0 GGADMN C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000910315851 981869480 /nfs/dbraw/zinc/86/94/80/981869480.db2.gz SMIICIAZHODODL-IIBYNOLFSA-N 0 1 392.927 3.497 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC000910351158 981886656 /nfs/dbraw/zinc/88/66/56/981886656.db2.gz DXXKEIDAEWTEGM-UHFFFAOYSA-N 0 1 394.397 3.294 20 0 GGADMN COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC000910383479 981908118 /nfs/dbraw/zinc/90/81/18/981908118.db2.gz QKMLOUVGOKDIOE-IBGZPJMESA-N 0 1 386.492 3.075 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000910454868 981941625 /nfs/dbraw/zinc/94/16/25/981941625.db2.gz GGINMFJEFKIVGI-CQSZACIVSA-N 0 1 382.489 3.344 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000910472193 981951456 /nfs/dbraw/zinc/95/14/56/981951456.db2.gz KGEWHGGRZAURIJ-UIFIKXQLSA-N 0 1 378.472 3.328 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000910500492 981966039 /nfs/dbraw/zinc/96/60/39/981966039.db2.gz NGLWEEHAQPQKDL-OAQYLSRUSA-N 0 1 378.472 3.182 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000910502808 981968207 /nfs/dbraw/zinc/96/82/07/981968207.db2.gz ICJNMPMVTHGUGE-NRFANRHFSA-N 0 1 378.472 3.324 20 0 GGADMN CCCC[C@H](S[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC001595652807 982037065 /nfs/dbraw/zinc/03/70/65/982037065.db2.gz XYPYICBROLHNDN-NXHRZFHOSA-N 0 1 378.538 3.142 20 0 GGADMN CCCC[C@H](SCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(=O)[O-] ZINC001595655630 982046199 /nfs/dbraw/zinc/04/61/99/982046199.db2.gz NMFVOMJJKQBBBY-AEFFLSMTSA-N 0 1 378.538 3.268 20 0 GGADMN O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2C1 ZINC000910678811 982054201 /nfs/dbraw/zinc/05/42/01/982054201.db2.gz YQXLCMHBKKLSFL-HZPDHXFCSA-N 0 1 399.516 3.183 20 0 GGADMN O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)nc2C1 ZINC000910685713 982061750 /nfs/dbraw/zinc/06/17/50/982061750.db2.gz UNJIEGZOPAPVNN-IUODEOHRSA-N 0 1 377.510 3.068 20 0 GGADMN O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)nc2C1 ZINC000910685713 982061758 /nfs/dbraw/zinc/06/17/58/982061758.db2.gz UNJIEGZOPAPVNN-IUODEOHRSA-N 0 1 377.510 3.068 20 0 GGADMN CC(C)c1sc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1C(=O)[O-] ZINC000910701926 982071882 /nfs/dbraw/zinc/07/18/82/982071882.db2.gz YNRRUGXPLGKVOG-AWEZNQCLSA-N 0 1 388.493 3.210 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910719787 982081973 /nfs/dbraw/zinc/08/19/73/982081973.db2.gz XTUPXLBDHWXGPK-YPMHNXCESA-N 0 1 376.482 3.223 20 0 GGADMN Cc1sc([C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)nc1C(=O)[O-] ZINC000910719509 982082007 /nfs/dbraw/zinc/08/20/07/982082007.db2.gz WDNLOGDMSXYBHA-GOEBONIOSA-N 0 1 391.537 3.468 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000910771246 982114568 /nfs/dbraw/zinc/11/45/68/982114568.db2.gz YYALMPGLNIHXSF-TZIWHRDSSA-N 0 1 396.487 3.192 20 0 GGADMN CC(C)(CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000910831463 982143803 /nfs/dbraw/zinc/14/38/03/982143803.db2.gz VZISLLCVEMMUMX-GOSISDBHSA-N 0 1 386.414 3.058 20 0 GGADMN CSc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000910947570 982172656 /nfs/dbraw/zinc/17/26/56/982172656.db2.gz HIQDTXSQEHWKMY-IBGZPJMESA-N 0 1 399.516 3.034 20 0 GGADMN O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000910990694 982185793 /nfs/dbraw/zinc/18/57/93/982185793.db2.gz ZRXXAAXQDJOAQK-WOJBJXKFSA-N 0 1 396.512 3.361 20 0 GGADMN Cc1ccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)cc1C(=O)[O-] ZINC000910996298 982186557 /nfs/dbraw/zinc/18/65/57/982186557.db2.gz BYTFCQOLPSMQHL-UHFFFAOYSA-N 0 1 396.487 3.104 20 0 GGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001594878591 982224998 /nfs/dbraw/zinc/22/49/98/982224998.db2.gz WBBITKIONAMVOV-ZDEQEGDKSA-N 0 1 382.423 3.263 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(=O)[O-] ZINC001595696456 982229190 /nfs/dbraw/zinc/22/91/90/982229190.db2.gz IWAUPDXTUZEVHJ-HXUWFJFHSA-N 0 1 386.533 3.104 20 0 GGADMN CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000911096720 982234192 /nfs/dbraw/zinc/23/41/92/982234192.db2.gz PMMGUOHGPRICLJ-AWEZNQCLSA-N 0 1 388.489 3.484 20 0 GGADMN CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881076 982234294 /nfs/dbraw/zinc/23/42/94/982234294.db2.gz MFNSZWXDNFHTHX-ZYHUDNBSSA-N 0 1 396.509 3.379 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696904 982234604 /nfs/dbraw/zinc/23/46/04/982234604.db2.gz MEVDTYDYVCCLDX-GUXCAODWSA-N 0 1 386.533 3.008 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696902 982234818 /nfs/dbraw/zinc/23/48/18/982234818.db2.gz MEVDTYDYVCCLDX-FTRWYGJKSA-N 0 1 386.533 3.008 20 0 GGADMN CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881484 982240497 /nfs/dbraw/zinc/24/04/97/982240497.db2.gz RTGMJLHQNUQMMI-JQWIXIFHSA-N 0 1 396.509 3.379 20 0 GGADMN CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881483 982240768 /nfs/dbraw/zinc/24/07/68/982240768.db2.gz RTGMJLHQNUQMMI-CMPLNLGQSA-N 0 1 396.509 3.379 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000911107240 982242046 /nfs/dbraw/zinc/24/20/46/982242046.db2.gz KJQIDUKTJSIZLZ-INIZCTEOSA-N 0 1 390.867 3.435 20 0 GGADMN O=C([O-])Cc1occc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000911108326 982243796 /nfs/dbraw/zinc/24/37/96/982243796.db2.gz ODDOWLJSDDRBJH-INIZCTEOSA-N 0 1 376.840 3.127 20 0 GGADMN CCCCCC[C@@](O)(C[NH+]1CCN(c2ccnc3ccccc32)CC1)C(=O)[O-] ZINC001595697564 982243937 /nfs/dbraw/zinc/24/39/37/982243937.db2.gz RIEPEWOWGLTQTJ-JOCHJYFZSA-N 0 1 385.508 3.143 20 0 GGADMN CCCCCC[C@](O)(C[NH+]1CCN(c2ccnc3ccccc32)CC1)C(=O)[O-] ZINC001595697566 982244069 /nfs/dbraw/zinc/24/40/69/982244069.db2.gz RIEPEWOWGLTQTJ-QFIPXVFZSA-N 0 1 385.508 3.143 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)c3[nH]c4ccccc4c3CC(=O)[O-])CC2)c1 ZINC000911110342 982244705 /nfs/dbraw/zinc/24/47/05/982244705.db2.gz XIGWNXHCOWQMEI-UHFFFAOYSA-N 0 1 391.471 3.061 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000911121261 982248876 /nfs/dbraw/zinc/24/88/76/982248876.db2.gz STSCBTRZOHJSDM-UHFFFAOYSA-N 0 1 378.428 3.397 20 0 GGADMN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000911135515 982254677 /nfs/dbraw/zinc/25/46/77/982254677.db2.gz HILBDGZLTFKUGM-ZWKOTPCHSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000911135515 982254678 /nfs/dbraw/zinc/25/46/78/982254678.db2.gz HILBDGZLTFKUGM-ZWKOTPCHSA-N 0 1 378.900 3.265 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[NH+]1CCOCC1 ZINC000911151935 982261328 /nfs/dbraw/zinc/26/13/28/982261328.db2.gz LACAGVWKOFMOGD-NRFANRHFSA-N 0 1 396.487 3.138 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1)C(=O)[O-] ZINC001595703548 982269419 /nfs/dbraw/zinc/26/94/19/982269419.db2.gz UVFRNFADCYHQOD-NRFANRHFSA-N 0 1 379.497 3.454 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2)CC1 ZINC000911189009 982274426 /nfs/dbraw/zinc/27/44/26/982274426.db2.gz TXKBDGCYXDFGRW-UHFFFAOYSA-N 0 1 387.524 3.188 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000911204621 982282199 /nfs/dbraw/zinc/28/21/99/982282199.db2.gz BJOHLWWTQIXEMG-HOTGVXAUSA-N 0 1 378.538 3.494 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)/C=C/c2cc(C(=O)[O-])co2)C[C@H](C)O1 ZINC000911204660 982282335 /nfs/dbraw/zinc/28/23/35/982282335.db2.gz CQMFFSPVUAEVHT-LAELXIFRSA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)/C=C/c2cc(C(=O)[O-])co2)C[C@H](C)O1 ZINC000911204660 982282347 /nfs/dbraw/zinc/28/23/47/982282347.db2.gz CQMFFSPVUAEVHT-LAELXIFRSA-N 0 1 384.432 3.239 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1)C(=O)[O-] ZINC001594890436 982284334 /nfs/dbraw/zinc/28/43/34/982284334.db2.gz HCVWZYQFQYPIJV-MJXNMMHHSA-N 0 1 382.451 3.164 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C(=O)[O-] ZINC001594890433 982284948 /nfs/dbraw/zinc/28/49/48/982284948.db2.gz HCVWZYQFQYPIJV-AGRHKRQWSA-N 0 1 382.451 3.164 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC001594892221 982294706 /nfs/dbraw/zinc/29/47/06/982294706.db2.gz PAEJRQSLBCVZPD-KKSFZXQISA-N 0 1 390.524 3.269 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000911226849 982299743 /nfs/dbraw/zinc/29/97/43/982299743.db2.gz LZVHWRREYMPNAF-UHFFFAOYSA-N 0 1 388.414 3.366 20 0 GGADMN CCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000911226914 982299762 /nfs/dbraw/zinc/29/97/62/982299762.db2.gz FYUMPXKKLBNCHZ-IBGZPJMESA-N 0 1 381.476 3.297 20 0 GGADMN CCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000911226915 982299805 /nfs/dbraw/zinc/29/98/05/982299805.db2.gz FYUMPXKKLBNCHZ-LJQANCHMSA-N 0 1 381.476 3.297 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2OC)C1 ZINC001595712133 982303402 /nfs/dbraw/zinc/30/34/02/982303402.db2.gz HXQZPLLKXRQAFF-QGZVFWFLSA-N 0 1 376.497 3.302 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000911240025 982308440 /nfs/dbraw/zinc/30/84/40/982308440.db2.gz SOKGNOFXZAEHLR-HXUWFJFHSA-N 0 1 395.503 3.226 20 0 GGADMN CCCCCCOc1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001595714531 982309593 /nfs/dbraw/zinc/30/95/93/982309593.db2.gz CASSKRVXPIHGHO-KRWDZBQOSA-N 0 1 376.497 3.267 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000911251219 982313477 /nfs/dbraw/zinc/31/34/77/982313477.db2.gz VNOKKDOHOMVOLK-FQEVSTJZSA-N 0 1 380.488 3.488 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC000911252956 982316176 /nfs/dbraw/zinc/31/61/76/982316176.db2.gz MSGWMELGFNWKSX-UHFFFAOYSA-N 0 1 379.460 3.177 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)Cc1ccccc1 ZINC001595716106 982319646 /nfs/dbraw/zinc/31/96/46/982319646.db2.gz QYPIZQWIPFHMDX-HKUYNNGSSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264003 982322638 /nfs/dbraw/zinc/32/26/38/982322638.db2.gz SERMSNZCIJPDGQ-FUHWJXTLSA-N 0 1 391.471 3.291 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264002 982323212 /nfs/dbraw/zinc/32/32/12/982323212.db2.gz SERMSNZCIJPDGQ-AEFFLSMTSA-N 0 1 391.471 3.291 20 0 GGADMN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911271744 982325510 /nfs/dbraw/zinc/32/55/10/982325510.db2.gz LNRPTZAMFCYCHU-CYBMUJFWSA-N 0 1 386.473 3.237 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000911275682 982327199 /nfs/dbraw/zinc/32/71/99/982327199.db2.gz RDFGOLGZTYYVRR-INIZCTEOSA-N 0 1 386.517 3.407 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000911304803 982333449 /nfs/dbraw/zinc/33/34/49/982333449.db2.gz YMESZBKZQZBLKB-JKSUJKDBSA-N 0 1 398.528 3.428 20 0 GGADMN C[C@@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000911304799 982333987 /nfs/dbraw/zinc/33/39/87/982333987.db2.gz YMESZBKZQZBLKB-HOTGVXAUSA-N 0 1 398.528 3.428 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911314727 982334973 /nfs/dbraw/zinc/33/49/73/982334973.db2.gz FUDDCOLZMUPBAL-HKUYNNGSSA-N 0 1 399.535 3.077 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000911315738 982336721 /nfs/dbraw/zinc/33/67/21/982336721.db2.gz QLBDGCNGMPGAGX-KRWDZBQOSA-N 0 1 387.524 3.077 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)cc2Cl)CC1 ZINC000911318559 982340992 /nfs/dbraw/zinc/34/09/92/982340992.db2.gz AVEQCLGEZROWLK-UHFFFAOYSA-N 0 1 391.830 3.181 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000911323127 982346680 /nfs/dbraw/zinc/34/66/80/982346680.db2.gz HBKXLIATIWJAQK-LJQANCHMSA-N 0 1 382.460 3.217 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001594898225 982347194 /nfs/dbraw/zinc/34/71/94/982347194.db2.gz VCEAGJFRDWMHPR-DCGLDWPTSA-N 0 1 375.494 3.076 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C(=O)[O-])oc1C ZINC000911324233 982348120 /nfs/dbraw/zinc/34/81/20/982348120.db2.gz XBNIIVUJJFMNKW-MRXNPFEDSA-N 0 1 386.448 3.119 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000911324293 982349116 /nfs/dbraw/zinc/34/91/16/982349116.db2.gz ZENACJFTZDZWJL-QZEKMECESA-N 0 1 398.459 3.210 20 0 GGADMN O=C([O-])c1cc(Br)cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000911326057 982350959 /nfs/dbraw/zinc/35/09/59/982350959.db2.gz YPQTWAHCFIQBKV-UHFFFAOYSA-N 0 1 395.297 3.238 20 0 GGADMN Cc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000911327175 982351572 /nfs/dbraw/zinc/35/15/72/982351572.db2.gz LEOUGYGERJKSRY-UHFFFAOYSA-N 0 1 380.488 3.474 20 0 GGADMN O=C([O-])CCc1ccccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000911328420 982352316 /nfs/dbraw/zinc/35/23/16/982352316.db2.gz TVMBTZDEAHINDZ-UHFFFAOYSA-N 0 1 394.515 3.485 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595734033 982372496 /nfs/dbraw/zinc/37/24/96/982372496.db2.gz ISRANKUETFEOMZ-UHFFFAOYSA-N 0 1 376.501 3.229 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000911363812 982380604 /nfs/dbraw/zinc/38/06/04/982380604.db2.gz HTGRSIDOYZDVLU-LAUBAEHRSA-N 0 1 380.488 3.439 20 0 GGADMN CCCCN(C)C(=O)C1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001595736087 982382333 /nfs/dbraw/zinc/38/23/33/982382333.db2.gz VYGBXIIULBQMOT-UHFFFAOYSA-N 0 1 399.491 3.019 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000911364799 982382847 /nfs/dbraw/zinc/38/28/47/982382847.db2.gz NMQNUAFAMNDLEO-LAUBAEHRSA-N 0 1 380.488 3.439 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595737013 982388301 /nfs/dbraw/zinc/38/83/01/982388301.db2.gz JPBCYDMCZGYRJR-JSGCOSHPSA-N 0 1 382.530 3.117 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000911375500 982392324 /nfs/dbraw/zinc/39/23/24/982392324.db2.gz FEEAFJJXVQHACO-MRXNPFEDSA-N 0 1 391.471 3.142 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000911375500 982392333 /nfs/dbraw/zinc/39/23/33/982392333.db2.gz FEEAFJJXVQHACO-MRXNPFEDSA-N 0 1 391.471 3.142 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)oc1C(=O)[O-] ZINC000911383733 982404606 /nfs/dbraw/zinc/40/46/06/982404606.db2.gz SERQSGDRQSMKRZ-CQSZACIVSA-N 0 1 396.365 3.309 20 0 GGADMN O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000911387377 982412220 /nfs/dbraw/zinc/41/22/20/982412220.db2.gz QHGUFIXDSIUPQI-QGZVFWFLSA-N 0 1 391.471 3.189 20 0 GGADMN O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000911395338 982416352 /nfs/dbraw/zinc/41/63/52/982416352.db2.gz AUZCZYHUTWRUEP-MRXNPFEDSA-N 0 1 383.492 3.322 20 0 GGADMN O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000911395337 982416396 /nfs/dbraw/zinc/41/63/96/982416396.db2.gz AUZCZYHUTWRUEP-INIZCTEOSA-N 0 1 383.492 3.322 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911410536 982420340 /nfs/dbraw/zinc/42/03/40/982420340.db2.gz UZHFZPRVNUIEOP-POEPRGHXSA-N 0 1 384.520 3.438 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000911413232 982421526 /nfs/dbraw/zinc/42/15/26/982421526.db2.gz UTPVGJJSFISFSM-MKRLQJOBSA-N 0 1 382.460 3.264 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000911414020 982422408 /nfs/dbraw/zinc/42/24/08/982422408.db2.gz ZUYXNDHEKZWCEA-YPGOJHLTSA-N 0 1 380.488 3.200 20 0 GGADMN CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000911418197 982424004 /nfs/dbraw/zinc/42/40/04/982424004.db2.gz JIRQDLCKYLTVHW-UHFFFAOYSA-N 0 1 396.487 3.235 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000911429520 982429801 /nfs/dbraw/zinc/42/98/01/982429801.db2.gz XKSGJADEMDIUNS-AEFFLSMTSA-N 0 1 398.528 3.251 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000911429520 982429807 /nfs/dbraw/zinc/42/98/07/982429807.db2.gz XKSGJADEMDIUNS-AEFFLSMTSA-N 0 1 398.528 3.251 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000911429524 982430045 /nfs/dbraw/zinc/43/00/45/982430045.db2.gz XKSGJADEMDIUNS-WMZOPIPTSA-N 0 1 398.528 3.251 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000911429524 982430053 /nfs/dbraw/zinc/43/00/53/982430053.db2.gz XKSGJADEMDIUNS-WMZOPIPTSA-N 0 1 398.528 3.251 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911445456 982433588 /nfs/dbraw/zinc/43/35/88/982433588.db2.gz VSHYFUYSKQECAB-HNNXBMFYSA-N 0 1 383.286 3.094 20 0 GGADMN C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000911453992 982437914 /nfs/dbraw/zinc/43/79/14/982437914.db2.gz BCLFHMOFFGGDPT-MRXNPFEDSA-N 0 1 391.471 3.142 20 0 GGADMN C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000911453992 982437918 /nfs/dbraw/zinc/43/79/18/982437918.db2.gz BCLFHMOFFGGDPT-MRXNPFEDSA-N 0 1 391.471 3.142 20 0 GGADMN C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000911456611 982439622 /nfs/dbraw/zinc/43/96/22/982439622.db2.gz RXBDVTQCJAIHNF-QGZVFWFLSA-N 0 1 391.471 3.072 20 0 GGADMN C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000911456611 982439631 /nfs/dbraw/zinc/43/96/31/982439631.db2.gz RXBDVTQCJAIHNF-QGZVFWFLSA-N 0 1 391.471 3.072 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000911490045 982454064 /nfs/dbraw/zinc/45/40/64/982454064.db2.gz DXNIUWMZFDVBHD-UHFFFAOYSA-N 0 1 381.226 3.363 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 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CYISNBNAWSHYEM-JKSUJKDBSA-N 0 1 376.884 3.237 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000911510554 982465420 /nfs/dbraw/zinc/46/54/20/982465420.db2.gz CYISNBNAWSHYEM-JKSUJKDBSA-N 0 1 376.884 3.237 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911522562 982471432 /nfs/dbraw/zinc/47/14/32/982471432.db2.gz JETKMQVXGFREHB-BVVFMGSASA-N 0 1 384.520 3.392 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911522560 982471551 /nfs/dbraw/zinc/47/15/51/982471551.db2.gz JDUSPHMIUYTZBV-LECLMCCNSA-N 0 1 382.460 3.362 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)C(=O)[O-] ZINC000911541247 982485166 /nfs/dbraw/zinc/48/51/66/982485166.db2.gz MAVQZEUJFLBDSC-OAHLLOKOSA-N 0 1 390.505 3.439 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000911547275 982490479 /nfs/dbraw/zinc/49/04/79/982490479.db2.gz VVLYSECMQZQOEJ-FQEVSTJZSA-N 0 1 396.487 3.181 20 0 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C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911589036 982519062 /nfs/dbraw/zinc/51/90/62/982519062.db2.gz COJFGIQVACPLSJ-DYESRHJHSA-N 0 1 380.488 3.344 20 0 GGADMN CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000911593498 982525255 /nfs/dbraw/zinc/52/52/55/982525255.db2.gz GCBZKBYXZGDWHD-SFTDATJTSA-N 0 1 396.487 3.103 20 0 GGADMN CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000911593498 982525262 /nfs/dbraw/zinc/52/52/62/982525262.db2.gz GCBZKBYXZGDWHD-SFTDATJTSA-N 0 1 396.487 3.103 20 0 GGADMN Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000911593296 982525483 /nfs/dbraw/zinc/52/54/83/982525483.db2.gz XXRLEXVMZIQXFF-SFHVURJKSA-N 0 1 384.501 3.041 20 0 GGADMN Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000911593296 982525489 /nfs/dbraw/zinc/52/54/89/982525489.db2.gz XXRLEXVMZIQXFF-SFHVURJKSA-N 0 1 384.501 3.041 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000911593749 982526582 /nfs/dbraw/zinc/52/65/82/982526582.db2.gz GSXGZBLHKZVKPB-OALUTQOASA-N 0 1 396.487 3.342 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000911604704 982535972 /nfs/dbraw/zinc/53/59/72/982535972.db2.gz APBOUFZHRMRBQZ-SJLPKXTDSA-N 0 1 384.476 3.246 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000911608595 982536875 /nfs/dbraw/zinc/53/68/75/982536875.db2.gz OTBHQCWQMMYAES-MJGOQNOKSA-N 0 1 384.520 3.438 20 0 GGADMN O=C([O-])COc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000911612959 982540667 /nfs/dbraw/zinc/54/06/67/982540667.db2.gz QKZRKIVUGCYYMH-LJQANCHMSA-N 0 1 396.487 3.182 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000911613533 982542058 /nfs/dbraw/zinc/54/20/58/982542058.db2.gz TYAKILWFKMUWAD-ANGAQGJPSA-N 0 1 382.460 3.410 20 0 GGADMN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001594930961 982558524 /nfs/dbraw/zinc/55/85/24/982558524.db2.gz DUKDHNGASIXDGS-WMLDXEAASA-N 0 1 388.537 3.277 20 0 GGADMN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001594930961 982558530 /nfs/dbraw/zinc/55/85/30/982558530.db2.gz DUKDHNGASIXDGS-WMLDXEAASA-N 0 1 388.537 3.277 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1)C(C)C ZINC000911621664 982563470 /nfs/dbraw/zinc/56/34/70/982563470.db2.gz VNGGYIOCMQRMBB-QFIPXVFZSA-N 0 1 383.492 3.432 20 0 GGADMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1ccc(C(=O)[O-])n1C ZINC001594931669 982569302 /nfs/dbraw/zinc/56/93/02/982569302.db2.gz VRFMKBHWSRGDJL-IIBYNOLFSA-N 0 1 384.524 3.159 20 0 GGADMN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C(=O)[O-])n1C ZINC001594931669 982569310 /nfs/dbraw/zinc/56/93/10/982569310.db2.gz VRFMKBHWSRGDJL-IIBYNOLFSA-N 0 1 384.524 3.159 20 0 GGADMN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C(=O)[O-])n1C ZINC001594931669 982569318 /nfs/dbraw/zinc/56/93/18/982569318.db2.gz VRFMKBHWSRGDJL-IIBYNOLFSA-N 0 1 384.524 3.159 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c(C)coc3CC(=O)[O-])C2)s1 ZINC000911743086 982625803 /nfs/dbraw/zinc/62/58/03/982625803.db2.gz PNKHDASXBAIMHZ-OAHLLOKOSA-N 0 1 390.505 3.179 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)s1 ZINC000911744207 982626551 /nfs/dbraw/zinc/62/65/51/982626551.db2.gz YNQJQJUOOANESS-ZACQAIPSSA-N 0 1 378.538 3.228 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000914778420 982659247 /nfs/dbraw/zinc/65/92/47/982659247.db2.gz PIJTZJSQFLYMSM-ZIAGYGMSSA-N 0 1 386.423 3.385 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000918345482 982686843 /nfs/dbraw/zinc/68/68/43/982686843.db2.gz WSUPABWSZVKCEI-UHFFFAOYSA-N 0 1 380.416 3.119 20 0 GGADMN CCCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC001595821126 982688076 /nfs/dbraw/zinc/68/80/76/982688076.db2.gz JMWWDLSYFSBHQZ-GFCCVEGCSA-N 0 1 398.301 3.404 20 0 GGADMN CCCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC001595821317 982688765 /nfs/dbraw/zinc/68/87/65/982688765.db2.gz GHTNFOWTGKHPNR-GFCCVEGCSA-N 0 1 384.274 3.095 20 0 GGADMN CCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001595822774 982694413 /nfs/dbraw/zinc/69/44/13/982694413.db2.gz NEASHDCGBCTBIS-KRWDZBQOSA-N 0 1 399.495 3.027 20 0 GGADMN CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594960778 982711953 /nfs/dbraw/zinc/71/19/53/982711953.db2.gz NDIXXATWWHSVNT-YOEHRIQHSA-N 0 1 389.475 3.045 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001594967276 982727044 /nfs/dbraw/zinc/72/70/44/982727044.db2.gz NMRPRUZLIXQUBQ-NSHDSACASA-N 0 1 391.390 3.178 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595836712 982744417 /nfs/dbraw/zinc/74/44/17/982744417.db2.gz KLASNXMSPVVTGZ-CQSZACIVSA-N 0 1 381.885 3.308 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001595837063 982746311 /nfs/dbraw/zinc/74/63/11/982746311.db2.gz SJZOSHKTKHCNSD-SFHVURJKSA-N 0 1 389.883 3.175 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001595837060 982746705 /nfs/dbraw/zinc/74/67/05/982746705.db2.gz SIKQDAFZZQDFFF-KRWDZBQOSA-N 0 1 375.856 3.246 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC001594979440 982768498 /nfs/dbraw/zinc/76/84/98/982768498.db2.gz QFSBWHUOSFXVLD-HNNXBMFYSA-N 0 1 395.500 3.022 20 0 GGADMN CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C(=O)[O-])c(C)n1C ZINC001595845959 982770011 /nfs/dbraw/zinc/77/00/11/982770011.db2.gz CNFJEBVPJMEMQY-UHFFFAOYSA-N 0 1 397.397 3.300 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C(=O)[O-])c(C)n1C ZINC001595845959 982770018 /nfs/dbraw/zinc/77/00/18/982770018.db2.gz CNFJEBVPJMEMQY-UHFFFAOYSA-N 0 1 397.397 3.300 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1nc(Br)c(Br)n1CC ZINC001594981752 982773627 /nfs/dbraw/zinc/77/36/27/982773627.db2.gz HINVQTULMIEXEV-MRVPVSSYSA-N 0 1 397.111 3.113 20 0 GGADMN CCC[N@@H+](CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001595846514 982774319 /nfs/dbraw/zinc/77/43/19/982774319.db2.gz UUASBBTWUDWJMF-SCTDSRPQSA-N 0 1 382.545 3.052 20 0 GGADMN CC[C@H](C)[N@@H+](CCc1ccccc1F)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594985335 982798979 /nfs/dbraw/zinc/79/89/79/982798979.db2.gz NFONDOLJDRNEKO-ZDUSSCGKSA-N 0 1 393.484 3.191 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC001595863267 982808458 /nfs/dbraw/zinc/80/84/58/982808458.db2.gz ZKSSXPSWMHSGKQ-JSGCOSHPSA-N 0 1 392.443 3.387 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001595864799 982817113 /nfs/dbraw/zinc/81/71/13/982817113.db2.gz HSWLTYCGUYVDLT-UHFFFAOYSA-N 0 1 391.390 3.179 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC001594986746 982817797 /nfs/dbraw/zinc/81/77/97/982817797.db2.gz HXGABSMCVKFMFM-LGEIONFXSA-N 0 1 387.524 3.464 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595864822 982818214 /nfs/dbraw/zinc/81/82/14/982818214.db2.gz IYDNGEQCRIMMOY-UHFFFAOYSA-N 0 1 376.501 3.229 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172866 982820688 /nfs/dbraw/zinc/82/06/88/982820688.db2.gz DNHPSTLBYHTEMA-PMACEKPBSA-N 0 1 387.524 3.081 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001595867138 982832515 /nfs/dbraw/zinc/83/25/15/982832515.db2.gz KRQHBOREMHMGDT-LLVKDONJSA-N 0 1 398.891 3.239 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595867150 982833569 /nfs/dbraw/zinc/83/35/69/982833569.db2.gz LEYSTCKKQQXOOW-CQSZACIVSA-N 0 1 386.496 3.054 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595867622 982836852 /nfs/dbraw/zinc/83/68/52/982836852.db2.gz TYZFUJXKTIYSJZ-TZMCWYRMSA-N 0 1 382.530 3.117 20 0 GGADMN CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595867736 982838921 /nfs/dbraw/zinc/83/89/21/982838921.db2.gz WXWQYHPOULHAGI-HNNXBMFYSA-N 0 1 387.484 3.121 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001595869201 982845635 /nfs/dbraw/zinc/84/56/35/982845635.db2.gz OFHRVIOGVIOENB-QFIPXVFZSA-N 0 1 383.492 3.433 20 0 GGADMN CCC[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001595870337 982852495 /nfs/dbraw/zinc/85/24/95/982852495.db2.gz HOJIPBZORKEUOE-KBPBESRZSA-N 0 1 376.444 3.064 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C1CC1 ZINC000923530789 982862928 /nfs/dbraw/zinc/86/29/28/982862928.db2.gz AZYXLXWDXAWOJW-WAOWUJCRSA-N 0 1 398.528 3.386 20 0 GGADMN CCC[N@@H+](CCN1CCCCCC1)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595880449 982888305 /nfs/dbraw/zinc/88/83/05/982888305.db2.gz WKJXHHDDOSFFJC-LJQANCHMSA-N 0 1 376.497 3.187 20 0 GGADMN CCCN(CC[NH+]1CCCCCC1)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595880449 982888317 /nfs/dbraw/zinc/88/83/17/982888317.db2.gz WKJXHHDDOSFFJC-LJQANCHMSA-N 0 1 376.497 3.187 20 0 GGADMN CCC[N@@H+](CCc1cccs1)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595883922 982904503 /nfs/dbraw/zinc/90/45/03/982904503.db2.gz GMVORRNFVKGECV-IBGZPJMESA-N 0 1 386.517 3.041 20 0 GGADMN CCC[N@@H+](CCc1cccs1)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595883924 982904720 /nfs/dbraw/zinc/90/47/20/982904720.db2.gz GMVORRNFVKGECV-LJQANCHMSA-N 0 1 386.517 3.041 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC001595885714 982908350 /nfs/dbraw/zinc/90/83/50/982908350.db2.gz COTUUDPIHGFMQU-INIZCTEOSA-N 0 1 377.462 3.044 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC001595885714 982908355 /nfs/dbraw/zinc/90/83/55/982908355.db2.gz COTUUDPIHGFMQU-INIZCTEOSA-N 0 1 377.462 3.044 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595890809 982921981 /nfs/dbraw/zinc/92/19/81/982921981.db2.gz FJYALQAUVYVNLH-BXUZGUMPSA-N 0 1 385.798 3.167 20 0 GGADMN CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595890809 982921982 /nfs/dbraw/zinc/92/19/82/982921982.db2.gz FJYALQAUVYVNLH-BXUZGUMPSA-N 0 1 385.798 3.167 20 0 GGADMN CCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001595890773 982922277 /nfs/dbraw/zinc/92/22/77/982922277.db2.gz CXLILNQCTHKGMD-UHFFFAOYSA-N 0 1 381.476 3.297 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595890812 982922457 /nfs/dbraw/zinc/92/24/57/982922457.db2.gz FJYALQAUVYVNLH-SMDDNHRTSA-N 0 1 385.798 3.167 20 0 GGADMN CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595890812 982922459 /nfs/dbraw/zinc/92/24/59/982922459.db2.gz FJYALQAUVYVNLH-SMDDNHRTSA-N 0 1 385.798 3.167 20 0 GGADMN CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)C1 ZINC001595902182 982960279 /nfs/dbraw/zinc/96/02/79/982960279.db2.gz AAVDAGPJMQIOHI-GFCCVEGCSA-N 0 1 398.301 3.309 20 0 GGADMN CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001595906590 982975745 /nfs/dbraw/zinc/97/57/45/982975745.db2.gz FZEKBYCWMNNXLW-OAHLLOKOSA-N 0 1 384.436 3.178 20 0 GGADMN CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)C1 ZINC001595907293 982980709 /nfs/dbraw/zinc/98/07/09/982980709.db2.gz WVLWVJCVDHTZHU-QGZVFWFLSA-N 0 1 398.507 3.239 20 0 GGADMN CCC[N@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001595909049 982994068 /nfs/dbraw/zinc/99/40/68/982994068.db2.gz BQVSYNZREWSYGE-MSOLQXFVSA-N 0 1 389.544 3.111 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(=O)[O-])CC2)nnc1C(C)(C)C ZINC001595909562 982996271 /nfs/dbraw/zinc/99/62/71/982996271.db2.gz MMLZNCPVJQVVAR-QGZVFWFLSA-N 0 1 391.560 3.141 20 0 GGADMN COCCCOc1cccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001119602900 983004066 /nfs/dbraw/zinc/00/40/66/983004066.db2.gz ZBICQFSBSOHVDI-CABCVRRESA-N 0 1 375.387 3.187 20 0 GGADMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001595916213 983022892 /nfs/dbraw/zinc/02/28/92/983022892.db2.gz OOSPHZSNPPTEEX-INIZCTEOSA-N 0 1 387.505 3.247 20 0 GGADMN C[C@@]1(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001121899707 983036178 /nfs/dbraw/zinc/03/61/78/983036178.db2.gz FCHGMAZPZDHRQR-UGKGYDQZSA-N 0 1 387.524 3.185 20 0 GGADMN CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001595939386 983086784 /nfs/dbraw/zinc/08/67/84/983086784.db2.gz WIUNCKNAQOOKJT-HNNXBMFYSA-N 0 1 377.485 3.013 20 0 GGADMN CCCOc1cc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(O)cc3)C2)ccc1OC ZINC001595950167 983120285 /nfs/dbraw/zinc/12/02/85/983120285.db2.gz MZOGRKAYRDNTCK-MOPGFXCFSA-N 0 1 385.460 3.490 20 0 GGADMN CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC001595966764 983174377 /nfs/dbraw/zinc/17/43/77/983174377.db2.gz RNBJCIGBGGWTSE-RTWAWAEBSA-N 0 1 390.524 3.304 20 0 GGADMN CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC001595966766 983174581 /nfs/dbraw/zinc/17/45/81/983174581.db2.gz RNBJCIGBGGWTSE-SFTDATJTSA-N 0 1 390.524 3.304 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001596008351 983265928 /nfs/dbraw/zinc/26/59/28/983265928.db2.gz FIWQQNMQEABCRX-IAGOWNOFSA-N 0 1 396.491 3.014 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001596008425 983266776 /nfs/dbraw/zinc/26/67/76/983266776.db2.gz ILAFXCHQZHGZQY-NVXWUHKLSA-N 0 1 387.505 3.257 20 0 GGADMN CCCc1c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596037816 983323538 /nfs/dbraw/zinc/32/35/38/983323538.db2.gz PNNGHFXYNUUNLZ-QGZVFWFLSA-N 0 1 383.492 3.226 20 0 GGADMN CCN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001596149298 983507211 /nfs/dbraw/zinc/50/72/11/983507211.db2.gz QRQWFRBJEUAIMQ-FRYIKTPZSA-N 0 1 387.524 3.497 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])ccn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596151393 983512141 /nfs/dbraw/zinc/51/21/41/983512141.db2.gz WKGQHQCXUPLLDR-CRAIPNDOSA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596151430 983512772 /nfs/dbraw/zinc/51/27/72/983512772.db2.gz XZJYMTLDCWFMHO-CRAIPNDOSA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C(C)=O)c1nc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001596177950 983547005 /nfs/dbraw/zinc/54/70/05/983547005.db2.gz KBTJJRCSNFOGOD-INIZCTEOSA-N 0 1 375.494 3.458 20 0 GGADMN CC[N@@H+](C)[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C1 ZINC001596190537 983563647 /nfs/dbraw/zinc/56/36/47/983563647.db2.gz DIHSAAKSDQARQF-LLVKDONJSA-N 0 1 384.274 3.014 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001596193205 983573953 /nfs/dbraw/zinc/57/39/53/983573953.db2.gz PJFULWKUIKGXHM-UHFFFAOYSA-N 0 1 384.480 3.224 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)C1 ZINC001596193314 983575401 /nfs/dbraw/zinc/57/54/01/983575401.db2.gz UDNLFTMIIPHLIY-GFCCVEGCSA-N 0 1 398.301 3.261 20 0 GGADMN CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596201424 983585849 /nfs/dbraw/zinc/58/58/49/983585849.db2.gz BOVPCYVKDLZBKG-IBGZPJMESA-N 0 1 386.517 3.407 20 0 GGADMN CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596201424 983585853 /nfs/dbraw/zinc/58/58/53/983585853.db2.gz BOVPCYVKDLZBKG-IBGZPJMESA-N 0 1 386.517 3.407 20 0 GGADMN CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)C(C)(C)C(=O)[O-] ZINC001596209527 983600498 /nfs/dbraw/zinc/60/04/98/983600498.db2.gz MJRSOEXOGFYZCQ-UHFFFAOYSA-N 0 1 397.475 3.371 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)C(C)(C)C(=O)[O-] 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CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001596560320 984435989 /nfs/dbraw/zinc/43/59/89/984435989.db2.gz NGLZNFACRICJSB-QFIPXVFZSA-N 0 1 384.476 3.416 20 0 GGADMN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001596560320 984435992 /nfs/dbraw/zinc/43/59/92/984435992.db2.gz NGLZNFACRICJSB-QFIPXVFZSA-N 0 1 384.476 3.416 20 0 GGADMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001596615770 984581532 /nfs/dbraw/zinc/58/15/32/984581532.db2.gz DFVUHDPRSPZURJ-OLZOCXBDSA-N 0 1 377.462 3.142 20 0 GGADMN C/C(=C/C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC001588937636 984617747 /nfs/dbraw/zinc/61/77/47/984617747.db2.gz NQKAKTTZHRZWQR-FZDNWWAKSA-N 0 1 384.398 3.116 20 0 GGADMN CCOC(=O)N1CCC(C)(C[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001596644602 984653981 /nfs/dbraw/zinc/65/39/81/984653981.db2.gz RLBBLXYRCNPUOA-UHFFFAOYSA-N 0 1 378.444 3.141 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](C)C[C@@H]3C(=O)[O-])cc(=O)oc2c1 ZINC001596667175 984733498 /nfs/dbraw/zinc/73/34/98/984733498.db2.gz SXPLOBAHKMCYJI-MLGOLLRUSA-N 0 1 388.420 3.047 20 0 GGADMN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(-n2cccn2)c(F)c1 ZINC001599901884 984848665 /nfs/dbraw/zinc/84/86/65/984848665.db2.gz SVSVRMVYIMSNIZ-LBPRGKRZSA-N 0 1 379.395 3.437 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CC(=O)[O-])C3CCOCC3)o2)cc1 ZINC001596714430 984942529 /nfs/dbraw/zinc/94/25/29/984942529.db2.gz OXNGSQADGIDYCJ-UHFFFAOYSA-N 0 1 387.432 3.189 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001596715339 984945576 /nfs/dbraw/zinc/94/55/76/984945576.db2.gz VDTHBHXICRAZLF-SFHVURJKSA-N 0 1 389.448 3.433 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001596715339 984945583 /nfs/dbraw/zinc/94/55/83/984945583.db2.gz VDTHBHXICRAZLF-SFHVURJKSA-N 0 1 389.448 3.433 20 0 GGADMN CCOC(=O)c1csc(C2CC[NH+](Cc3cc(C)c(C(=O)[O-])[nH]3)CC2)n1 ZINC001596746720 985068611 /nfs/dbraw/zinc/06/86/11/985068611.db2.gz KPWKLXJWNHZOGQ-UHFFFAOYSA-N 0 1 377.466 3.034 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755775 985130696 /nfs/dbraw/zinc/13/06/96/985130696.db2.gz IDCCXTLDSWSZLG-DOMZBBRYSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)nc1C ZINC001596755775 985130699 /nfs/dbraw/zinc/13/06/99/985130699.db2.gz IDCCXTLDSWSZLG-DOMZBBRYSA-N 0 1 392.452 3.383 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@H+]([C@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756588 985135853 /nfs/dbraw/zinc/13/58/53/985135853.db2.gz WICLGASOCDPZLQ-VXGBXAGGSA-N 0 1 378.450 3.470 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cs1)c1ccc(F)cc1F ZINC001589053545 985147409 /nfs/dbraw/zinc/14/74/09/985147409.db2.gz AVYKQSYYKZYBFJ-YGRLFVJLSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cs1)c1ccc(F)cc1F ZINC001589053545 985147414 /nfs/dbraw/zinc/14/74/14/985147414.db2.gz AVYKQSYYKZYBFJ-YGRLFVJLSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cs1)c1ccccc1F ZINC001589054008 985150353 /nfs/dbraw/zinc/15/03/53/985150353.db2.gz GGOFIVNDWDLNLN-FZMZJTMJSA-N 0 1 377.441 3.262 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cs1)c1ccccc1F ZINC001589054008 985150360 /nfs/dbraw/zinc/15/03/60/985150360.db2.gz GGOFIVNDWDLNLN-FZMZJTMJSA-N 0 1 377.441 3.262 20 0 GGADMN C[C@H]1C[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001599927929 985242058 /nfs/dbraw/zinc/24/20/58/985242058.db2.gz UFPQOXMERFKRMB-IETSOEAISA-N 0 1 390.705 3.353 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599928006 985243376 /nfs/dbraw/zinc/24/33/76/985243376.db2.gz PBZPFJHFTPCPFF-NYHFZMIOSA-N 0 1 398.507 3.151 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@]1(C)C(=O)[O-] ZINC001599928084 985245037 /nfs/dbraw/zinc/24/50/37/985245037.db2.gz WVMNMUCJJSEASP-HJPURHCSSA-N 0 1 393.487 3.362 20 0 GGADMN CC(=O)N1CC[NH+](Cc2cccc(NCc3cc(C(=O)[O-])c(C(C)C)[nH]3)c2)CC1 ZINC001589085365 985256678 /nfs/dbraw/zinc/25/66/78/985256678.db2.gz RAIGBPPTZUBRMQ-UHFFFAOYSA-N 0 1 398.507 3.113 20 0 GGADMN C[C@H]1C[N@H+](Cc2c(F)ccc(I)c2F)C[C@]1(C)C(=O)[O-] ZINC001599928574 985257537 /nfs/dbraw/zinc/25/75/37/985257537.db2.gz QSGGUSSOHNQSTF-RTHLEPHNSA-N 0 1 395.187 3.112 20 0 GGADMN C[C@H]1C[N@@H+](Cc2c(F)ccc(I)c2F)C[C@]1(C)C(=O)[O-] ZINC001599928574 985257550 /nfs/dbraw/zinc/25/75/50/985257550.db2.gz QSGGUSSOHNQSTF-RTHLEPHNSA-N 0 1 395.187 3.112 20 0 GGADMN C[C@@H]1CN(CC[N@@H+](C)[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC001599929581 985285357 /nfs/dbraw/zinc/28/53/57/985285357.db2.gz FXQGEJVTCCNXRZ-BFQNTYOBSA-N 0 1 375.296 3.160 20 0 GGADMN C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C[C@H](C)O1 ZINC001599929761 985289368 /nfs/dbraw/zinc/28/93/68/985289368.db2.gz MMJKHUVNMBMSEP-GASCZTMLSA-N 0 1 385.464 3.111 20 0 GGADMN C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C[C@H](C)O1 ZINC001599929761 985289372 /nfs/dbraw/zinc/28/93/72/985289372.db2.gz MMJKHUVNMBMSEP-GASCZTMLSA-N 0 1 385.464 3.111 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811166 985361353 /nfs/dbraw/zinc/36/13/53/985361353.db2.gz ONQHWRIYKHDUJK-ZIAGYGMSSA-N 0 1 380.510 3.281 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811166 985361371 /nfs/dbraw/zinc/36/13/71/985361371.db2.gz ONQHWRIYKHDUJK-ZIAGYGMSSA-N 0 1 380.510 3.281 20 0 GGADMN C[C@]12CC[N@@H+](CC3(CC(=O)[O-])CC3)C[C@H]1C2(Br)Br ZINC001599938295 985423900 /nfs/dbraw/zinc/42/39/00/985423900.db2.gz ITWRELKBIQWBAB-KOLCDFICSA-N 0 1 381.108 3.069 20 0 GGADMN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001589133504 985430786 /nfs/dbraw/zinc/43/07/86/985430786.db2.gz UJHIAMUOXDVCGK-HNNXBMFYSA-N 0 1 387.505 3.247 20 0 GGADMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001589133505 985431112 /nfs/dbraw/zinc/43/11/12/985431112.db2.gz UJHIAMUOXDVCGK-OAHLLOKOSA-N 0 1 387.505 3.247 20 0 GGADMN CCO[C@H]1C[C@]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)(C(=O)[O-])C1(C)C ZINC001596833918 985472703 /nfs/dbraw/zinc/47/27/03/985472703.db2.gz SCQSKIHYISADCZ-KKSFZXQISA-N 0 1 376.497 3.305 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC001599943925 985490870 /nfs/dbraw/zinc/49/08/70/985490870.db2.gz GIOGBRINFKUHSC-IAGOWNOFSA-N 0 1 383.492 3.280 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC001599943929 985491206 /nfs/dbraw/zinc/49/12/06/985491206.db2.gz GIOGBRINFKUHSC-SJORKVTESA-N 0 1 383.492 3.280 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+](C)CCc2cccc(Br)c2)c(C)c1C(=O)[O-] ZINC001599944204 985496099 /nfs/dbraw/zinc/49/60/99/985496099.db2.gz KIBRFKOPFOCVMA-UHFFFAOYSA-N 0 1 393.281 3.449 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](C)CCc2cccc(Br)c2)c(C)c1C(=O)[O-] ZINC001599944204 985496100 /nfs/dbraw/zinc/49/61/00/985496100.db2.gz KIBRFKOPFOCVMA-UHFFFAOYSA-N 0 1 393.281 3.449 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001594478225 985504076 /nfs/dbraw/zinc/50/40/76/985504076.db2.gz OCQZKHOXDHQYKP-CYBMUJFWSA-N 0 1 389.402 3.401 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001594478225 985504079 /nfs/dbraw/zinc/50/40/79/985504079.db2.gz OCQZKHOXDHQYKP-CYBMUJFWSA-N 0 1 389.402 3.401 20 0 GGADMN CCO[C@@H]1C[C@]([NH2+]Cc2nc3ccc(Br)cc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838497 985506739 /nfs/dbraw/zinc/50/67/39/985506739.db2.gz SRGGSISYZZKDOT-DYVFJYSZSA-N 0 1 396.285 3.073 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945032 985511279 /nfs/dbraw/zinc/51/12/79/985511279.db2.gz MRNPPMHQIBIACN-KBPBESRZSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945032 985511282 /nfs/dbraw/zinc/51/12/82/985511282.db2.gz MRNPPMHQIBIACN-KBPBESRZSA-N 0 1 375.494 3.312 20 0 GGADMN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166503 985514009 /nfs/dbraw/zinc/51/40/09/985514009.db2.gz JTIOZTBDAVOGBW-PXAZEXFGSA-N 0 1 376.844 3.027 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(C)c1C(=O)[O-] ZINC001599945410 985517584 /nfs/dbraw/zinc/51/75/84/985517584.db2.gz NANJXPNVLYUQCD-OAHLLOKOSA-N 0 1 380.448 3.027 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594479557 985517868 /nfs/dbraw/zinc/51/78/68/985517868.db2.gz LSQQIQKVMAUGPY-DLBZAZTESA-N 0 1 397.475 3.277 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC001594479731 985519439 /nfs/dbraw/zinc/51/94/39/985519439.db2.gz NGFLFZKAUJOLKP-CYBMUJFWSA-N 0 1 395.887 3.142 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC001594479733 985519778 /nfs/dbraw/zinc/51/97/78/985519778.db2.gz NGFLFZKAUJOLKP-ZDUSSCGKSA-N 0 1 395.887 3.142 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c(C)c1C(=O)[O-] ZINC001599945569 985522415 /nfs/dbraw/zinc/52/24/15/985522415.db2.gz PJTYJDIYPHPPMO-OAHLLOKOSA-N 0 1 376.403 3.498 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c(C)c1C(=O)[O-] ZINC001599945569 985522423 /nfs/dbraw/zinc/52/24/23/985522423.db2.gz PJTYJDIYPHPPMO-OAHLLOKOSA-N 0 1 376.403 3.498 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C)c1C(=O)[O-] ZINC001599945960 985527133 /nfs/dbraw/zinc/52/71/33/985527133.db2.gz QIEXHFUJKZPRLS-GDBMZVCRSA-N 0 1 392.459 3.334 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1F)C(=O)[O-] ZINC001594481677 985530710 /nfs/dbraw/zinc/53/07/10/985530710.db2.gz YPVIDEJKQQDAPP-KBPBESRZSA-N 0 1 393.459 3.016 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC[N@@H+]1CCC(=O)[O-] ZINC001594489244 985592505 /nfs/dbraw/zinc/59/25/05/985592505.db2.gz OVUBCZYBHKYOMX-AWEZNQCLSA-N 0 1 384.501 3.135 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC[N@H+]1CCC(=O)[O-] ZINC001594489244 985592515 /nfs/dbraw/zinc/59/25/15/985592515.db2.gz OVUBCZYBHKYOMX-AWEZNQCLSA-N 0 1 384.501 3.135 20 0 GGADMN Cc1[nH]c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599950242 985595592 /nfs/dbraw/zinc/59/55/92/985595592.db2.gz GGLRZFZQZJYHTG-JQFCIGGWSA-N 0 1 383.492 3.453 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)CC[N@H+]1C1CCCC1 ZINC001594490149 985599457 /nfs/dbraw/zinc/59/94/57/985599457.db2.gz WMSAAEKUFVSDMG-LBPRGKRZSA-N 0 1 395.297 3.236 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC[N@H+]1CCC(=O)[O-] ZINC001594494072 985622608 /nfs/dbraw/zinc/62/26/08/985622608.db2.gz JZEPZAYDHCKASR-HNNXBMFYSA-N 0 1 393.443 3.116 20 0 GGADMN Cc1[nH]c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c(C)c1C(=O)[O-] ZINC001599952572 985634677 /nfs/dbraw/zinc/63/46/77/985634677.db2.gz IAFSUZNJBFFNLU-INIZCTEOSA-N 0 1 381.432 3.184 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@@H+](CCC(=O)[O-])Cc3ccccc3)cc(=O)oc2c1 ZINC001589204254 985659965 /nfs/dbraw/zinc/65/99/65/985659965.db2.gz QEXUSDVJNWNRSA-UHFFFAOYSA-N 0 1 394.427 3.228 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@@H+](C)Cc3ccc(C(=O)[O-])cc3)cc(=O)oc2c1 ZINC001589204377 985661936 /nfs/dbraw/zinc/66/19/36/985661936.db2.gz XXKKKDIPJYTNKS-UHFFFAOYSA-N 0 1 380.400 3.082 20 0 GGADMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594504938 985704100 /nfs/dbraw/zinc/70/41/00/985704100.db2.gz CASZIKSHIDSGLG-ORAYPTAESA-N 0 1 396.447 3.176 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001599957243 985709962 /nfs/dbraw/zinc/70/99/62/985709962.db2.gz KEGDOCWSFBGTGM-YJBOKZPZSA-N 0 1 383.492 3.189 20 0 GGADMN CC(=O)Nc1ccccc1C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001589217891 985720852 /nfs/dbraw/zinc/72/08/52/985720852.db2.gz CYHTWFNTTABURL-UHFFFAOYSA-N 0 1 391.265 3.494 20 0 GGADMN C[C@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)Cc2ccccc21 ZINC001594508616 985753161 /nfs/dbraw/zinc/75/31/61/985753161.db2.gz IQQSCUGHBYXFPY-BTYIYWSLSA-N 0 1 391.471 3.341 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001599959451 985754035 /nfs/dbraw/zinc/75/40/35/985754035.db2.gz NWMPDWLLHJGBHS-NQIIRXRSSA-N 0 1 395.503 3.191 20 0 GGADMN CCOC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001596884257 985765608 /nfs/dbraw/zinc/76/56/08/985765608.db2.gz JZQCXIJSKJGRCO-QGZVFWFLSA-N 0 1 378.856 3.236 20 0 GGADMN CC(=O)Oc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1 ZINC001589230599 985775872 /nfs/dbraw/zinc/77/58/72/985775872.db2.gz YSXCSRXQPNVZNY-ZWKOTPCHSA-N 0 1 375.371 3.190 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001599961227 985785506 /nfs/dbraw/zinc/78/55/06/985785506.db2.gz YDJNJLFXMFOBJY-NRFANRHFSA-N 0 1 392.455 3.440 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC001599961227 985785511 /nfs/dbraw/zinc/78/55/11/985785511.db2.gz YDJNJLFXMFOBJY-NRFANRHFSA-N 0 1 392.455 3.440 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001594512825 985786437 /nfs/dbraw/zinc/78/64/37/985786437.db2.gz CAHUSRMNRWEHKP-SNVBAGLBSA-N 0 1 395.233 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001594512825 985786448 /nfs/dbraw/zinc/78/64/48/985786448.db2.gz CAHUSRMNRWEHKP-SNVBAGLBSA-N 0 1 395.233 3.093 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001599961312 985786996 /nfs/dbraw/zinc/78/69/96/985786996.db2.gz YJPAOOZBTIFEGD-HSZRJFAPSA-N 0 1 395.503 3.192 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC001599961596 985792551 /nfs/dbraw/zinc/79/25/51/985792551.db2.gz VIAUOKPLTWZHTR-MRVPVSSYSA-N 0 1 383.217 3.456 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599962777 985824211 /nfs/dbraw/zinc/82/42/11/985824211.db2.gz KWFZZUBIZHSRDD-RHSMWYFYSA-N 0 1 377.485 3.244 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599962777 985824229 /nfs/dbraw/zinc/82/42/29/985824229.db2.gz KWFZZUBIZHSRDD-RHSMWYFYSA-N 0 1 377.485 3.244 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001594514381 985836081 /nfs/dbraw/zinc/83/60/81/985836081.db2.gz GPPYCRDPQHWCME-UGKGYDQZSA-N 0 1 394.515 3.410 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC001594514821 985854191 /nfs/dbraw/zinc/85/41/91/985854191.db2.gz JKFWNEGGWIMHJZ-NSHDSACASA-N 0 1 391.320 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC001594514858 985857092 /nfs/dbraw/zinc/85/70/92/985857092.db2.gz CULHRHBGORSJQU-RDTXWAMCSA-N 0 1 379.476 3.103 20 0 GGADMN Cc1[nH]c(C[NH2+]Cc2cn3cc(Br)cc(C)c3n2)cc1C(=O)[O-] ZINC001599964064 985860371 /nfs/dbraw/zinc/86/03/71/985860371.db2.gz WDVMWZNFRKRKMX-UHFFFAOYSA-N 0 1 377.242 3.030 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC1CCC(c2ccccc2)CC1 ZINC001594515319 985873112 /nfs/dbraw/zinc/87/31/12/985873112.db2.gz HDPVNRAJNJOQQM-PGYGNJIDSA-N 0 1 387.524 3.151 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001594515938 985889693 /nfs/dbraw/zinc/88/96/93/985889693.db2.gz LFYYMQDZMNMMTO-UWWQBHOKSA-N 0 1 393.915 3.167 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001594516138 985896053 /nfs/dbraw/zinc/89/60/53/985896053.db2.gz TZRSCYHZQQGRHA-HNNXBMFYSA-N 0 1 388.439 3.026 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC001594516889 985919359 /nfs/dbraw/zinc/91/93/59/985919359.db2.gz WANQQEFYAALDNV-ACJLOTCBSA-N 0 1 397.466 3.242 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CSc1ccc2c3c(cccc31)CC2 ZINC001594517032 985925491 /nfs/dbraw/zinc/92/54/91/985925491.db2.gz YLURXZLXUSLEPP-OAHLLOKOSA-N 0 1 398.528 3.038 20 0 GGADMN CCOCCC[N@H+](Cc1cc(Br)cnc1Cl)C[C@H](C)C(=O)[O-] ZINC001596914749 985933274 /nfs/dbraw/zinc/93/32/74/985933274.db2.gz HWDHMGZHMNXWRR-NSHDSACASA-N 0 1 393.709 3.447 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)[C@@H](C)C1 ZINC001596916640 985947379 /nfs/dbraw/zinc/94/73/79/985947379.db2.gz HCAFCOQLDUWMIL-XJKSGUPXSA-N 0 1 395.475 3.091 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)[C@@H](C)C1 ZINC001596916762 985949498 /nfs/dbraw/zinc/94/94/98/985949498.db2.gz JFDFQQOQKBYXNB-OWQGQXMQSA-N 0 1 386.895 3.331 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)[C@H](C)C1 ZINC001596916765 985950816 /nfs/dbraw/zinc/95/08/16/985950816.db2.gz JFDFQQOQKBYXNB-SKDZVZGDSA-N 0 1 386.895 3.331 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001594519345 985951530 /nfs/dbraw/zinc/95/15/30/985951530.db2.gz SHZKDKAIMXCNRL-GOSISDBHSA-N 0 1 395.503 3.087 20 0 GGADMN CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)[O-])c3cccnc23)[C@H](C)C1 ZINC001596917305 985958760 /nfs/dbraw/zinc/95/87/60/985958760.db2.gz VFUKBBXNECIQLF-UZLBHIALSA-N 0 1 385.508 3.160 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC001594519620 985962022 /nfs/dbraw/zinc/96/20/22/985962022.db2.gz BDZWHXPHICZAFO-SNVBAGLBSA-N 0 1 384.263 3.096 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001594520485 985978421 /nfs/dbraw/zinc/97/84/21/985978421.db2.gz UHVWAQCUXVLYTP-HNNXBMFYSA-N 0 1 383.492 3.058 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=S)Nc1ccc(SC(F)F)cc1 ZINC001594522189 985998572 /nfs/dbraw/zinc/99/85/72/985998572.db2.gz MOPHMJMCTXROPN-NSHDSACASA-N 0 1 389.493 3.179 20 0 GGADMN Cc1c(Br)cccc1C[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599972288 986027488 /nfs/dbraw/zinc/02/74/88/986027488.db2.gz ILYXSJMQALYODY-GOSISDBHSA-N 0 1 382.298 3.339 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cccc(Cl)c1Br ZINC001594525946 986043177 /nfs/dbraw/zinc/04/31/77/986043177.db2.gz PECSODLJCYSQOM-LLVKDONJSA-N 0 1 375.694 3.083 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCCCOc1ccccc1C(F)(F)F ZINC001594526131 986045312 /nfs/dbraw/zinc/04/53/12/986045312.db2.gz SADYZCOBMADZKG-HNNXBMFYSA-N 0 1 388.430 3.345 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001594526131 986045330 /nfs/dbraw/zinc/04/53/30/986045330.db2.gz SADYZCOBMADZKG-HNNXBMFYSA-N 0 1 388.430 3.345 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001594526131 986045345 /nfs/dbraw/zinc/04/53/45/986045345.db2.gz SADYZCOBMADZKG-HNNXBMFYSA-N 0 1 388.430 3.345 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cc(Cl)cc(Br)c1 ZINC001594526350 986051028 /nfs/dbraw/zinc/05/10/28/986051028.db2.gz VSXXZGZYNDBYJN-LLVKDONJSA-N 0 1 375.694 3.083 20 0 GGADMN CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)c1c[nH]c3ccc(C(=O)[O-])cc13)CC2 ZINC001589301764 986060093 /nfs/dbraw/zinc/06/00/93/986060093.db2.gz CSGBUSVJIYOJQG-UHFFFAOYSA-N 0 1 390.439 3.352 20 0 GGADMN CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)c1c[nH]c3ccc(C(=O)[O-])cc13)CC2 ZINC001589301764 986060097 /nfs/dbraw/zinc/06/00/97/986060097.db2.gz CSGBUSVJIYOJQG-UHFFFAOYSA-N 0 1 390.439 3.352 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001589309008 986076484 /nfs/dbraw/zinc/07/64/84/986076484.db2.gz DQWOOQQRBJVEKP-JSNMRZPZSA-N 0 1 380.444 3.016 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594530824 986114319 /nfs/dbraw/zinc/11/43/19/986114319.db2.gz DJFNHWAFXQCHBP-HZPDHXFCSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594530822 986114368 /nfs/dbraw/zinc/11/43/68/986114368.db2.gz DJFNHWAFXQCHBP-HOTGVXAUSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001594530825 986114883 /nfs/dbraw/zinc/11/48/83/986114883.db2.gz DJFNHWAFXQCHBP-JKSUJKDBSA-N 0 1 392.496 3.246 20 0 GGADMN CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589318271 986119239 /nfs/dbraw/zinc/11/92/39/986119239.db2.gz SQSVMUJCLPXFAH-UHFFFAOYSA-N 0 1 396.443 3.201 20 0 GGADMN CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589318271 986119244 /nfs/dbraw/zinc/11/92/44/986119244.db2.gz SQSVMUJCLPXFAH-UHFFFAOYSA-N 0 1 396.443 3.201 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Oc3ccccc3CC(=O)[O-])cc2)C[C@H](C)O1 ZINC001594537353 986160234 /nfs/dbraw/zinc/16/02/34/986160234.db2.gz HHUSVSSAENPWIJ-IYBDPMFKSA-N 0 1 383.444 3.142 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Oc3ccccc3CC(=O)[O-])cc2)C[C@H](C)O1 ZINC001594537353 986160238 /nfs/dbraw/zinc/16/02/38/986160238.db2.gz HHUSVSSAENPWIJ-IYBDPMFKSA-N 0 1 383.444 3.142 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccsc3)cc2)C[C@@H](C)O1 ZINC001594539346 986169935 /nfs/dbraw/zinc/16/99/35/986169935.db2.gz RFNULCYJHWYMQQ-LBTNJELSSA-N 0 1 389.473 3.340 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccsc3)cc2)C[C@H](C)O1 ZINC001594539345 986170131 /nfs/dbraw/zinc/17/01/31/986170131.db2.gz RFNULCYJHWYMQQ-IYOUNJFTSA-N 0 1 389.473 3.340 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccsc3)cc2)C[C@H](C)O1 ZINC001594539345 986170136 /nfs/dbraw/zinc/17/01/36/986170136.db2.gz RFNULCYJHWYMQQ-IYOUNJFTSA-N 0 1 389.473 3.340 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC001594539912 986172860 /nfs/dbraw/zinc/17/28/60/986172860.db2.gz VPIAHVJECMTRJN-IYBDPMFKSA-N 0 1 386.467 3.423 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3F)cc2)C[C@@H](C)O1 ZINC001594539910 986172896 /nfs/dbraw/zinc/17/28/96/986172896.db2.gz VPIAHVJECMTRJN-HZPDHXFCSA-N 0 1 386.467 3.423 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594542066 986176021 /nfs/dbraw/zinc/17/60/21/986176021.db2.gz CDDWKGHQOQAXJR-AEFFLSMTSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2)C[C@H](C)O1 ZINC001594542133 986177566 /nfs/dbraw/zinc/17/75/66/986177566.db2.gz DHRTXKZKCNVPGS-IYBDPMFKSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2)C[C@H](C)O1 ZINC001594542133 986177569 /nfs/dbraw/zinc/17/75/69/986177569.db2.gz DHRTXKZKCNVPGS-IYBDPMFKSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001594542725 986187983 /nfs/dbraw/zinc/18/79/83/986187983.db2.gz SSVKCRZEKJZQFK-QWHZDKJVSA-N 0 1 382.464 3.058 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001594542757 986190002 /nfs/dbraw/zinc/19/00/02/986190002.db2.gz UBSHKCFGYPZLPT-YLJYHZDGSA-N 0 1 380.488 3.202 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594543080 986192037 /nfs/dbraw/zinc/19/20/37/986192037.db2.gz YCOWFFAQGJDIIZ-BEFAXECRSA-N 0 1 399.466 3.091 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594543086 986192809 /nfs/dbraw/zinc/19/28/09/986192809.db2.gz YCOWFFAQGJDIIZ-HNAYVOBHSA-N 0 1 399.466 3.091 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001594543849 986195507 /nfs/dbraw/zinc/19/55/07/986195507.db2.gz BVVFKIHZIREXOD-LAUBAEHRSA-N 0 1 395.503 3.024 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001594543847 986195814 /nfs/dbraw/zinc/19/58/14/986195814.db2.gz BVVFKIHZIREXOD-DYESRHJHSA-N 0 1 395.503 3.024 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543829 986196454 /nfs/dbraw/zinc/19/64/54/986196454.db2.gz BQJXAXLODJATCW-UZUQRXQVSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543829 986196457 /nfs/dbraw/zinc/19/64/57/986196457.db2.gz BQJXAXLODJATCW-UZUQRXQVSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543829 986196460 /nfs/dbraw/zinc/19/64/60/986196460.db2.gz BQJXAXLODJATCW-UZUQRXQVSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544149 986197508 /nfs/dbraw/zinc/19/75/08/986197508.db2.gz DLIBFSAICMBRLH-IIBYNOLFSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544149 986197511 /nfs/dbraw/zinc/19/75/11/986197511.db2.gz DLIBFSAICMBRLH-IIBYNOLFSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544149 986197519 /nfs/dbraw/zinc/19/75/19/986197519.db2.gz DLIBFSAICMBRLH-IIBYNOLFSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594544220 986198124 /nfs/dbraw/zinc/19/81/24/986198124.db2.gz FMKMAMYREJEHER-INIZCTEOSA-N 0 1 378.476 3.358 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544144 986198403 /nfs/dbraw/zinc/19/84/03/986198403.db2.gz DLIBFSAICMBRLH-HRAATJIYSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544144 986198411 /nfs/dbraw/zinc/19/84/11/986198411.db2.gz DLIBFSAICMBRLH-HRAATJIYSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544144 986198417 /nfs/dbraw/zinc/19/84/17/986198417.db2.gz DLIBFSAICMBRLH-HRAATJIYSA-N 0 1 386.517 3.312 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+]([C@H](C(=O)[O-])c3ccccc3)C2)O1 ZINC001594545466 986210167 /nfs/dbraw/zinc/21/01/67/986210167.db2.gz RYVDOUQQAUTYJJ-JZWVFAODSA-N 0 1 380.488 3.178 20 0 GGADMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594547058 986219889 /nfs/dbraw/zinc/21/98/89/986219889.db2.gz DVIJAOZPBMAZOS-NWDGAFQWSA-N 0 1 397.306 3.402 20 0 GGADMN Cc1c(C(=O)[O-])cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)n1C ZINC001599986398 986230992 /nfs/dbraw/zinc/23/09/92/986230992.db2.gz APOQUXUKTMSCDJ-UHFFFAOYSA-N 0 1 376.403 3.405 20 0 GGADMN CCOc1c(OC)cc(C[NH2+]Cc2ccc(Cl)c(C(=O)[O-])n2)cc1OC ZINC001596991071 986265994 /nfs/dbraw/zinc/26/59/94/986265994.db2.gz AGKSYIZGJMXMGR-UHFFFAOYSA-N 0 1 380.828 3.139 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349336 986300052 /nfs/dbraw/zinc/30/00/52/986300052.db2.gz GDMATJSWCFLUIY-CZUORRHYSA-N 0 1 398.425 3.206 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349326 986300175 /nfs/dbraw/zinc/30/01/75/986300175.db2.gz GDMATJSWCFLUIY-BBRMVZONSA-N 0 1 398.425 3.206 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001589349725 986302478 /nfs/dbraw/zinc/30/24/78/986302478.db2.gz KGEDCYPIYUVYQF-QAPCUYQASA-N 0 1 383.492 3.059 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001589352138 986320777 /nfs/dbraw/zinc/32/07/77/986320777.db2.gz HIYARORGYPYUIU-HNNXBMFYSA-N 0 1 382.460 3.016 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001589352138 986320786 /nfs/dbraw/zinc/32/07/86/986320786.db2.gz HIYARORGYPYUIU-HNNXBMFYSA-N 0 1 382.460 3.016 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC001594567488 986362354 /nfs/dbraw/zinc/36/23/54/986362354.db2.gz FNGUYPMXYLYWRJ-ZDUSSCGKSA-N 0 1 390.386 3.417 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)c1ccccc1 ZINC001594568873 986374243 /nfs/dbraw/zinc/37/42/43/986374243.db2.gz KUFRYOQWIIGNGG-KZNAEPCWSA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)c1ccccc1 ZINC001594568873 986374250 /nfs/dbraw/zinc/37/42/50/986374250.db2.gz KUFRYOQWIIGNGG-KZNAEPCWSA-N 0 1 395.503 3.161 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001594569630 986380924 /nfs/dbraw/zinc/38/09/24/986380924.db2.gz NGPYZLQCOZQMAF-AVRDEDQJSA-N 0 1 379.504 3.170 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC001594569860 986385906 /nfs/dbraw/zinc/38/59/06/986385906.db2.gz NJUBMTLCUBODPY-OAHLLOKOSA-N 0 1 385.439 3.063 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC001594570640 986393980 /nfs/dbraw/zinc/39/39/80/986393980.db2.gz SQNMNGXLENIKTP-FOIQADDNSA-N 0 1 388.895 3.152 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)Nc1ccccc1F ZINC001594570800 986396975 /nfs/dbraw/zinc/39/69/75/986396975.db2.gz VCGLOUACRJGLJU-OAHLLOKOSA-N 0 1 385.439 3.063 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001594571144 986404616 /nfs/dbraw/zinc/40/46/16/986404616.db2.gz ZUPMXLOYZHUBSI-IAGOWNOFSA-N 0 1 387.524 3.075 20 0 GGADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001594571144 986404621 /nfs/dbraw/zinc/40/46/21/986404621.db2.gz ZUPMXLOYZHUBSI-IAGOWNOFSA-N 0 1 387.524 3.075 20 0 GGADMN CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc(Br)c1O ZINC001597030430 986443950 /nfs/dbraw/zinc/44/39/50/986443950.db2.gz AXUFWXNDBDDJMD-SJCJKPOMSA-N 0 1 384.270 3.240 20 0 GGADMN CCOc1cc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)ccc1O ZINC001597030428 986444070 /nfs/dbraw/zinc/44/40/70/986444070.db2.gz AWDQDKIDLBWBTN-CVEARBPZSA-N 0 1 377.387 3.369 20 0 GGADMN CCOc1cc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc(Cl)c1O ZINC001597031145 986447233 /nfs/dbraw/zinc/44/72/33/986447233.db2.gz JEBAIFRAWWWPNU-LJQANCHMSA-N 0 1 383.872 3.026 20 0 GGADMN CCOc1cc(C[NH+]2CC3(C2)CCOC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031068 986447357 /nfs/dbraw/zinc/44/73/57/986447357.db2.gz IMRHINYJLKZYCT-UHFFFAOYSA-N 0 1 387.432 3.178 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](O)C2(C)C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031565 986448782 /nfs/dbraw/zinc/44/87/82/986448782.db2.gz LMKZQQRRYBBECX-LJQANCHMSA-N 0 1 389.448 3.301 20 0 GGADMN CCOc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c(F)cc1OC ZINC001597031638 986450209 /nfs/dbraw/zinc/45/02/09/986450209.db2.gz MOTBLQDOQBTASM-NWDGAFQWSA-N 0 1 379.350 3.318 20 0 GGADMN CCOc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c(F)cc1OC ZINC001597031638 986450214 /nfs/dbraw/zinc/45/02/14/986450214.db2.gz MOTBLQDOQBTASM-NWDGAFQWSA-N 0 1 379.350 3.318 20 0 GGADMN CCOc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032470 986455850 /nfs/dbraw/zinc/45/58/50/986455850.db2.gz VQQSIRXFVFDWPJ-NRFANRHFSA-N 0 1 387.432 3.320 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032470 986455854 /nfs/dbraw/zinc/45/58/54/986455854.db2.gz VQQSIRXFVFDWPJ-NRFANRHFSA-N 0 1 387.432 3.320 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(F)cc1OC ZINC001597033027 986459170 /nfs/dbraw/zinc/45/91/70/986459170.db2.gz XGTRXRKAVNBASF-LLVKDONJSA-N 0 1 380.441 3.377 20 0 GGADMN CCOc1cc(C[N@@H+](C)[C@H]2CCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597034126 986467369 /nfs/dbraw/zinc/46/73/69/986467369.db2.gz WFKITIDDTJULME-HNNXBMFYSA-N 0 1 375.421 3.176 20 0 GGADMN CCOc1cc(F)cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001597036565 986479011 /nfs/dbraw/zinc/47/90/11/986479011.db2.gz IYPYLFYBRRZRMX-QGZVFWFLSA-N 0 1 396.459 3.120 20 0 GGADMN CCOc1cc(F)cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001597036565 986479012 /nfs/dbraw/zinc/47/90/12/986479012.db2.gz IYPYLFYBRRZRMX-QGZVFWFLSA-N 0 1 396.459 3.120 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3CCSC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC001597049570 986522843 /nfs/dbraw/zinc/52/28/43/986522843.db2.gz WARJGXZKCOMEBA-CQSZACIVSA-N 0 1 378.519 3.458 20 0 GGADMN C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001589406756 986593386 /nfs/dbraw/zinc/59/33/86/986593386.db2.gz JAVZYMGYPLBPLU-ZDUSSCGKSA-N 0 1 379.526 3.106 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1)c1ccccc1 ZINC001589421972 986660494 /nfs/dbraw/zinc/66/04/94/986660494.db2.gz CYLPKHYOMGGTBR-ZIAGYGMSSA-N 0 1 387.505 3.287 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436244 986750517 /nfs/dbraw/zinc/75/05/17/986750517.db2.gz RGQBCISNFRNAIZ-WDEREUQCSA-N 0 1 395.431 3.326 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436244 986750522 /nfs/dbraw/zinc/75/05/22/986750522.db2.gz RGQBCISNFRNAIZ-WDEREUQCSA-N 0 1 395.431 3.326 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436243 986750742 /nfs/dbraw/zinc/75/07/42/986750742.db2.gz RGQBCISNFRNAIZ-QWRGUYRKSA-N 0 1 395.431 3.326 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589436243 986750751 /nfs/dbraw/zinc/75/07/51/986750751.db2.gz RGQBCISNFRNAIZ-QWRGUYRKSA-N 0 1 395.431 3.326 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589437289 986755194 /nfs/dbraw/zinc/75/51/94/986755194.db2.gz AMRFBSKFWHVVDP-INIZCTEOSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589437289 986755202 /nfs/dbraw/zinc/75/52/02/986755202.db2.gz AMRFBSKFWHVVDP-INIZCTEOSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589439293 986772773 /nfs/dbraw/zinc/77/27/73/986772773.db2.gz HRATXDGUMJMSLH-ZLENFMNRSA-N 0 1 381.270 3.105 20 0 GGADMN C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440417 986784642 /nfs/dbraw/zinc/78/46/42/986784642.db2.gz WPIULRSTRITQPQ-VXGBXAGGSA-N 0 1 377.441 3.187 20 0 GGADMN C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440417 986784655 /nfs/dbraw/zinc/78/46/55/986784655.db2.gz WPIULRSTRITQPQ-VXGBXAGGSA-N 0 1 377.441 3.187 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440416 986784920 /nfs/dbraw/zinc/78/49/20/986784920.db2.gz WPIULRSTRITQPQ-RYUDHWBXSA-N 0 1 377.441 3.187 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440416 986784928 /nfs/dbraw/zinc/78/49/28/986784928.db2.gz WPIULRSTRITQPQ-RYUDHWBXSA-N 0 1 377.441 3.187 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440293 986785213 /nfs/dbraw/zinc/78/52/13/986785213.db2.gz WEVANQAJTMFSBX-QMHKHESXSA-N 0 1 396.487 3.249 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440457 986786693 /nfs/dbraw/zinc/78/66/93/986786693.db2.gz XWLXGALOZTVROY-MNOVXSKESA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440457 986786703 /nfs/dbraw/zinc/78/67/03/986786703.db2.gz XWLXGALOZTVROY-MNOVXSKESA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589443801 986791634 /nfs/dbraw/zinc/79/16/34/986791634.db2.gz AUHMIUMJFYLUFZ-ZLENFMNRSA-N 0 1 381.270 3.105 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589443801 986791644 /nfs/dbraw/zinc/79/16/44/986791644.db2.gz AUHMIUMJFYLUFZ-ZLENFMNRSA-N 0 1 381.270 3.105 20 0 GGADMN CCOc1ccc(NC(=O)C[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001597117571 986793379 /nfs/dbraw/zinc/79/33/79/986793379.db2.gz KRFCWTCHVHZQBI-SFHVURJKSA-N 0 1 382.416 3.056 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589445312 986810590 /nfs/dbraw/zinc/81/05/90/986810590.db2.gz RAQGHILLDYNXEV-OAHLLOKOSA-N 0 1 393.443 3.157 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589445312 986810596 /nfs/dbraw/zinc/81/05/96/986810596.db2.gz RAQGHILLDYNXEV-OAHLLOKOSA-N 0 1 393.443 3.157 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589445632 986814237 /nfs/dbraw/zinc/81/42/37/986814237.db2.gz UIPJJHPZXPSOPY-VLXJIEOASA-N 0 1 382.407 3.192 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445797 986816119 /nfs/dbraw/zinc/81/61/19/986816119.db2.gz WVEIGCJYZAKYCG-WAIKUNEKSA-N 0 1 389.455 3.290 20 0 GGADMN CCOc1ccc2nc(NC(=O)C[N@H+](C)Cc3ccc(C(=O)[O-])cc3)sc2c1 ZINC001597143880 986902351 /nfs/dbraw/zinc/90/23/51/986902351.db2.gz MTWHJHYHOMBTAR-UHFFFAOYSA-N 0 1 399.472 3.464 20 0 GGADMN CCOc1ccc2nc(NC(=O)C[N@@H+](C)Cc3ccc(C(=O)[O-])cc3)sc2c1 ZINC001597143880 986902358 /nfs/dbraw/zinc/90/23/58/986902358.db2.gz MTWHJHYHOMBTAR-UHFFFAOYSA-N 0 1 399.472 3.464 20 0 GGADMN CCOc1cccc(C[N@H+](CCO)Cc2oc(Br)cc2C(=O)[O-])c1 ZINC001597154869 986944716 /nfs/dbraw/zinc/94/47/16/986944716.db2.gz DZVFGNPKVRVOKJ-UHFFFAOYSA-N 0 1 398.253 3.134 20 0 GGADMN CCOc1cccc(C[N@@H+](CCO)Cc2oc(Br)cc2C(=O)[O-])c1 ZINC001597154869 986944729 /nfs/dbraw/zinc/94/47/29/986944729.db2.gz DZVFGNPKVRVOKJ-UHFFFAOYSA-N 0 1 398.253 3.134 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CCC1 ZINC001589478769 986999632 /nfs/dbraw/zinc/99/96/32/986999632.db2.gz ILMUOWOCLDUDRG-HNNXBMFYSA-N 0 1 376.472 3.081 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CCC1 ZINC001589478769 986999639 /nfs/dbraw/zinc/99/96/39/986999639.db2.gz ILMUOWOCLDUDRG-HNNXBMFYSA-N 0 1 376.472 3.081 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480056 987015121 /nfs/dbraw/zinc/01/51/21/987015121.db2.gz XHKXPBGUVHLOFC-DJJJIMSYSA-N 0 1 390.480 3.420 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480056 987015132 /nfs/dbraw/zinc/01/51/32/987015132.db2.gz XHKXPBGUVHLOFC-DJJJIMSYSA-N 0 1 390.480 3.420 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480060 987015245 /nfs/dbraw/zinc/01/52/45/987015245.db2.gz XHKXPBGUVHLOFC-YJYMSZOUSA-N 0 1 390.480 3.420 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480060 987015258 /nfs/dbraw/zinc/01/52/58/987015258.db2.gz XHKXPBGUVHLOFC-YJYMSZOUSA-N 0 1 390.480 3.420 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001597173397 987017308 /nfs/dbraw/zinc/01/73/08/987017308.db2.gz VEZGKKGRDMIBKQ-LJQANCHMSA-N 0 1 384.476 3.483 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001597173397 987017318 /nfs/dbraw/zinc/01/73/18/987017318.db2.gz VEZGKKGRDMIBKQ-LJQANCHMSA-N 0 1 384.476 3.483 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001597178901 987031192 /nfs/dbraw/zinc/03/11/92/987031192.db2.gz BAEKATDKGWTXOF-UHFFFAOYSA-N 0 1 398.459 3.179 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597179316 987034263 /nfs/dbraw/zinc/03/42/63/987034263.db2.gz JPUKYSDQOKSQQA-CYBMUJFWSA-N 0 1 389.477 3.058 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cc1 ZINC001589510816 987137089 /nfs/dbraw/zinc/13/70/89/987137089.db2.gz WNLPKBUBYIOPBO-MRXNPFEDSA-N 0 1 391.512 3.229 20 0 GGADMN C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)cc1 ZINC001589510814 987137123 /nfs/dbraw/zinc/13/71/23/987137123.db2.gz WNLPKBUBYIOPBO-INIZCTEOSA-N 0 1 391.512 3.229 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)c1 ZINC001597229978 987181757 /nfs/dbraw/zinc/18/17/57/987181757.db2.gz GIESDVHFKLLARD-UHFFFAOYSA-N 0 1 385.844 3.261 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001597229949 987181803 /nfs/dbraw/zinc/18/18/03/987181803.db2.gz PPXIGPOFDVRKKU-MNOVXSKESA-N 0 1 383.495 3.015 20 0 GGADMN C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001589533768 987228115 /nfs/dbraw/zinc/22/81/15/987228115.db2.gz SPILULFFOVHTGP-OXQOHEQNSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001589533768 987228118 /nfs/dbraw/zinc/22/81/18/987228118.db2.gz SPILULFFOVHTGP-OXQOHEQNSA-N 0 1 382.460 3.104 20 0 GGADMN CC[C@@H](C(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1)[NH+](CC)CC ZINC001594734743 987264152 /nfs/dbraw/zinc/26/41/52/987264152.db2.gz BAEISGMBNQOAGE-LBPRGKRZSA-N 0 1 397.273 3.083 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594735704 987271147 /nfs/dbraw/zinc/27/11/47/987271147.db2.gz QMHUWZMNFTUCBU-KNQAVFIVSA-N 0 1 382.460 3.141 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594735705 987271246 /nfs/dbraw/zinc/27/12/46/987271246.db2.gz QMHUWZMNFTUCBU-SIKLNZKXSA-N 0 1 382.460 3.141 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001589595495 987414168 /nfs/dbraw/zinc/41/41/68/987414168.db2.gz VWUYMZRTVGJKNG-UXHICEINSA-N 0 1 395.503 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC001589595519 987414493 /nfs/dbraw/zinc/41/44/93/987414493.db2.gz WNKORPPCTUEGEA-MJGOQNOKSA-N 0 1 387.524 3.260 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001589610847 987459332 /nfs/dbraw/zinc/45/93/32/987459332.db2.gz WCKKEXHMKOBXKK-WMZOPIPTSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001589611964 987471177 /nfs/dbraw/zinc/47/11/77/987471177.db2.gz LBMBEJTVMFVYGP-YJBOKZPZSA-N 0 1 394.462 3.279 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2Cc3ccc(Br)cc3C2=O)C1 ZINC001589616164 987474964 /nfs/dbraw/zinc/47/49/64/987474964.db2.gz KCYXHHXKTWBURH-ZDUSSCGKSA-N 0 1 395.297 3.185 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC001589616296 987477456 /nfs/dbraw/zinc/47/74/56/987477456.db2.gz UPTUNTBWMYLTIL-MRXNPFEDSA-N 0 1 376.884 3.346 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC001589616295 987477465 /nfs/dbraw/zinc/47/74/65/987477465.db2.gz UPTUNTBWMYLTIL-INIZCTEOSA-N 0 1 376.884 3.346 20 0 GGADMN CCc1[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c(C)c1C(=O)[O-] ZINC001597361159 987517163 /nfs/dbraw/zinc/51/71/63/987517163.db2.gz NNDRZWROWOHXOV-UHFFFAOYSA-N 0 1 383.492 3.240 20 0 GGADMN CCc1[nH]c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1C(=O)[O-] ZINC001597362122 987525204 /nfs/dbraw/zinc/52/52/04/987525204.db2.gz RKTYVWFJBZUSNW-QAPCUYQASA-N 0 1 381.476 3.340 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001597368233 987547328 /nfs/dbraw/zinc/54/73/28/987547328.db2.gz OADKGGJOHGRPJA-QGZVFWFLSA-N 0 1 383.492 3.226 20 0 GGADMN CCc1[nH]c(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)c(C)c1C(=O)[O-] ZINC001597372586 987555666 /nfs/dbraw/zinc/55/56/66/987555666.db2.gz DSGSUYAYKUBVHV-KRWDZBQOSA-N 0 1 396.491 3.120 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001597383951 987586810 /nfs/dbraw/zinc/58/68/10/987586810.db2.gz HZUDZMRHLAZDDE-CXAGYDPISA-N 0 1 379.501 3.401 20 0 GGADMN CCc1[nH]c(C[NH+]2CCC(N(CC)C(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC001597384725 987590408 /nfs/dbraw/zinc/59/04/08/987590408.db2.gz ORUXDRKFABTHSF-UHFFFAOYSA-N 0 1 379.501 3.497 20 0 GGADMN CC(C)(C(=O)[O-])c1csc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001589655098 987611711 /nfs/dbraw/zinc/61/17/11/987611711.db2.gz QAYQLXDGIFYTLT-CQSZACIVSA-N 0 1 394.541 3.424 20 0 GGADMN CCc1[nH]c(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)cc1C(=O)[O-] ZINC001597393503 987636569 /nfs/dbraw/zinc/63/65/69/987636569.db2.gz PQZRQFKSCSDHQV-CQSZACIVSA-N 0 1 383.217 3.400 20 0 GGADMN CCc1[nH]c(C[NH2+]Cc2csc(=NC(=O)OC(C)(C)C)[nH]2)cc1C(=O)[O-] ZINC001597395272 987646179 /nfs/dbraw/zinc/64/61/79/987646179.db2.gz PXIADQUNGCGKDY-UHFFFAOYSA-N 0 1 380.470 3.369 20 0 GGADMN CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001589687099 987737842 /nfs/dbraw/zinc/73/78/42/987737842.db2.gz PWANYZIVRMBOAX-OAHLLOKOSA-N 0 1 393.553 3.305 20 0 GGADMN CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001589703470 987806997 /nfs/dbraw/zinc/80/69/97/987806997.db2.gz YOEVGLQACRCMFH-INIZCTEOSA-N 0 1 379.526 3.246 20 0 GGADMN CC(C)(C)[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(=O)[O-] ZINC001589716434 987858535 /nfs/dbraw/zinc/85/85/35/987858535.db2.gz FGJCTAIGNODYAH-SUMWQHHRSA-N 0 1 389.477 3.108 20 0 GGADMN CC(C)(C)[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(=O)[O-] ZINC001589718042 987871908 /nfs/dbraw/zinc/87/19/08/987871908.db2.gz XBVZLEQTJVXKQN-GUYCJALGSA-N 0 1 389.477 3.108 20 0 GGADMN CC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC(CCC(=O)[O-])CC1)C2=O ZINC001589729043 987938462 /nfs/dbraw/zinc/93/84/62/987938462.db2.gz RDCXTAKMFQSHOV-UHFFFAOYSA-N 0 1 393.528 3.048 20 0 GGADMN CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC001589731599 987947876 /nfs/dbraw/zinc/94/78/76/987947876.db2.gz DZVOFTHECCGATN-QLFBSQMISA-N 0 1 378.538 3.061 20 0 GGADMN CS[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@H]1N1CCCC1 ZINC001599791372 988014477 /nfs/dbraw/zinc/01/44/77/988014477.db2.gz TVMDKFDTVSVGHH-OAGGEKHMSA-N 0 1 388.455 3.343 20 0 GGADMN CS[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC001599791372 988014490 /nfs/dbraw/zinc/01/44/90/988014490.db2.gz TVMDKFDTVSVGHH-OAGGEKHMSA-N 0 1 388.455 3.343 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC001589743122 988021008 /nfs/dbraw/zinc/02/10/08/988021008.db2.gz DJIONDUOVFBEQE-WBVHZDCISA-N 0 1 375.513 3.499 20 0 GGADMN CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3OC)C2)cc1 ZINC001597517379 988131794 /nfs/dbraw/zinc/13/17/94/988131794.db2.gz LGYVFJWOIDIOGV-WOJBJXKFSA-N 0 1 399.487 3.185 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)cc1 ZINC001597526261 988171604 /nfs/dbraw/zinc/17/16/04/988171604.db2.gz QGIMELNPBCDBOD-UHFFFAOYSA-N 0 1 385.439 3.436 20 0 GGADMN CCc1ccc(C[NH+]2CCN(Cc3cc(C(=O)[O-])c4n3CCCC4)CC2)s1 ZINC001597527155 988174386 /nfs/dbraw/zinc/17/43/86/988174386.db2.gz HYLFDLWKKPYGBE-UHFFFAOYSA-N 0 1 387.549 3.464 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001589802609 988213780 /nfs/dbraw/zinc/21/37/80/988213780.db2.gz UMWPMMRFUZLAON-OAHLLOKOSA-N 0 1 388.512 3.227 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001589806158 988227797 /nfs/dbraw/zinc/22/77/97/988227797.db2.gz LUCQQVVWHLDKKG-INIZCTEOSA-N 0 1 387.249 3.298 20 0 GGADMN CCc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1 ZINC001597544274 988242419 /nfs/dbraw/zinc/24/24/19/988242419.db2.gz DQIMXYPVTXZWMN-ZWKOTPCHSA-N 0 1 388.414 3.266 20 0 GGADMN CCc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1 ZINC001597544274 988242427 /nfs/dbraw/zinc/24/24/27/988242427.db2.gz DQIMXYPVTXZWMN-ZWKOTPCHSA-N 0 1 388.414 3.266 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001589816115 988257923 /nfs/dbraw/zinc/25/79/23/988257923.db2.gz VMEDMQVNSDYEDS-INIZCTEOSA-N 0 1 379.526 3.389 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001589816556 988261964 /nfs/dbraw/zinc/26/19/64/988261964.db2.gz YFRLRPRLLXPSMU-JTQLQIEISA-N 0 1 384.274 3.142 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@]3(C(=O)[O-])C[C@@H]3c3ccccc3)sc2C1 ZINC001589824552 988288733 /nfs/dbraw/zinc/28/87/33/988288733.db2.gz HFACUVGBZZIAAC-SPLOXXLWSA-N 0 1 399.516 3.497 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC001589825145 988292032 /nfs/dbraw/zinc/29/20/32/988292032.db2.gz QNYJTHIWWHSVAK-UHFFFAOYSA-N 0 1 377.441 3.389 20 0 GGADMN CCc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])C[C@H]3[C@@H]3CCCO3)cc(=O)oc2c1 ZINC001597563771 988319163 /nfs/dbraw/zinc/31/91/63/988319163.db2.gz VUJGLRAIKJDLAK-SNRMKQJTSA-N 0 1 385.460 3.200 20 0 GGADMN CCc1ccc2ccccc2c1CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001597569408 988334552 /nfs/dbraw/zinc/33/45/52/988334552.db2.gz UOVSNRCGQSUJDT-INIZCTEOSA-N 0 1 383.492 3.093 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815929 988424263 /nfs/dbraw/zinc/42/42/63/988424263.db2.gz JDYCMLJTHUFQNK-QVKFZJNVSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599815941 988424647 /nfs/dbraw/zinc/42/46/47/988424647.db2.gz JNQBFLGKAQTNSU-CQSZACIVSA-N 0 1 388.489 3.331 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599815941 988424652 /nfs/dbraw/zinc/42/46/52/988424652.db2.gz JNQBFLGKAQTNSU-CQSZACIVSA-N 0 1 388.489 3.331 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001589860284 988428571 /nfs/dbraw/zinc/42/85/71/988428571.db2.gz PDWMUDPIDSAWBK-CYBMUJFWSA-N 0 1 384.270 3.311 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001589860285 988428634 /nfs/dbraw/zinc/42/86/34/988428634.db2.gz PDWMUDPIDSAWBK-ZDUSSCGKSA-N 0 1 384.270 3.311 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)[O-])o2)C1 ZINC001589860495 988431322 /nfs/dbraw/zinc/43/13/22/988431322.db2.gz UNWZVAXZLGTSDA-HOTGVXAUSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)[O-])o2)CC1 ZINC001589860898 988437408 /nfs/dbraw/zinc/43/74/08/988437408.db2.gz BMCJMZSZQFSLGV-INIZCTEOSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)o2)CC1 ZINC001589861831 988446368 /nfs/dbraw/zinc/44/63/68/988446368.db2.gz NNDDBFLZFPVFFG-NRFANRHFSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CC12CC(C(=O)[O-])C2 ZINC001589865458 988457481 /nfs/dbraw/zinc/45/74/81/988457481.db2.gz AXXFMBYMEOPYKU-XXUFKVEXSA-N 0 1 395.540 3.335 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCCC2CCOCC2)CC12CC(C(=O)[O-])C2 ZINC001589865758 988460522 /nfs/dbraw/zinc/46/05/22/988460522.db2.gz GPSXXRAHAVGOSV-WUZYXKQASA-N 0 1 395.540 3.338 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cc(O)cc(Cl)c2)CC12CC(C(=O)[O-])C2 ZINC001589866144 988465538 /nfs/dbraw/zinc/46/55/38/988465538.db2.gz KXCOJWFYPWCWMV-WGAFOPHPSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589866927 988477571 /nfs/dbraw/zinc/47/75/71/988477571.db2.gz QKIDSCXQEUWLEC-JWRWLIQVSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589866925 988477591 /nfs/dbraw/zinc/47/75/91/988477591.db2.gz QKIDSCXQEUWLEC-GWWPLSDWSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867185 988482740 /nfs/dbraw/zinc/48/27/40/988482740.db2.gz UHKDEWRXFKKNHS-DWWRDXDESA-N 0 1 389.467 3.436 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867450 988488634 /nfs/dbraw/zinc/48/86/34/988488634.db2.gz XBMZTMVEMCTSDU-DBWCEAHUSA-N 0 1 395.446 3.262 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCc2ccc(F)c(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867451 988488861 /nfs/dbraw/zinc/48/88/61/988488861.db2.gz XBMZTMVEMCTSDU-FAGJFJLWSA-N 0 1 395.446 3.262 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCc2c(F)cccc2F)CC12CC(C(=O)[O-])C2 ZINC001589867490 988488979 /nfs/dbraw/zinc/48/89/79/988488979.db2.gz XRRJOPFPGQWXFF-DYDLGINISA-N 0 1 395.446 3.262 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CC12CC(C(=O)[O-])C2 ZINC001589867665 988491751 /nfs/dbraw/zinc/49/17/51/988491751.db2.gz ZLLICLYXQFCLJC-YZOUICBYSA-N 0 1 396.487 3.489 20 0 GGADMN CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001589877741 988540162 /nfs/dbraw/zinc/54/01/62/988540162.db2.gz FJKYRWWOLDCDIT-LSDHHAIUSA-N 0 1 398.297 3.281 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599824982 988583788 /nfs/dbraw/zinc/58/37/88/988583788.db2.gz AUOVNDKXDGZMOI-OAHLLOKOSA-N 0 1 376.400 3.076 20 0 GGADMN CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C(=O)[O-])o1)C(C)C ZINC001599825103 988586013 /nfs/dbraw/zinc/58/60/13/988586013.db2.gz HMFJOBRMTQVKSF-CQSZACIVSA-N 0 1 379.478 3.350 20 0 GGADMN CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599825247 988588363 /nfs/dbraw/zinc/58/83/63/988588363.db2.gz NWKABYUYBKZPHL-CQSZACIVSA-N 0 1 388.489 3.331 20 0 GGADMN CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599825247 988588373 /nfs/dbraw/zinc/58/83/73/988588373.db2.gz NWKABYUYBKZPHL-CQSZACIVSA-N 0 1 388.489 3.331 20 0 GGADMN CC(C)(C)OC(=O)N(CCC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C1CC1 ZINC001589905365 988615498 /nfs/dbraw/zinc/61/54/98/988615498.db2.gz GGOZSQRGCGAWPJ-MRXNPFEDSA-N 0 1 380.407 3.115 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@H]2C(=O)[O-] ZINC001589947560 988736316 /nfs/dbraw/zinc/73/63/16/988736316.db2.gz GBZYCYOTJJWTTC-VGOKWCNXSA-N 0 1 390.455 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C/c1cccc(F)c1)C[C@H]2C(=O)[O-] ZINC001589947594 988736581 /nfs/dbraw/zinc/73/65/81/988736581.db2.gz GGMGKXIDLFJTTD-UABRLCRWSA-N 0 1 390.455 3.092 20 0 GGADMN CCc1n[nH]c(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3Br)CC2)n1 ZINC001597663165 988740924 /nfs/dbraw/zinc/74/09/24/988740924.db2.gz LZICOKLYMVRDQW-UHFFFAOYSA-N 0 1 393.285 3.207 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC1CCC(F)(F)CC1)C[C@@H]2C(=O)[O-] ZINC001589948995 988743340 /nfs/dbraw/zinc/74/33/40/988743340.db2.gz RCDIQGZAEIVTPP-CQSZACIVSA-N 0 1 388.455 3.065 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCc1cccc(F)c1)C[C@H]2C(=O)[O-] ZINC001589949994 988747230 /nfs/dbraw/zinc/74/72/30/988747230.db2.gz YXVHXDAFHBVXHR-KRWDZBQOSA-N 0 1 392.471 3.012 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972025 988807395 /nfs/dbraw/zinc/80/73/95/988807395.db2.gz OPIYMALPNMANLI-SJORKVTESA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001589972293 988813136 /nfs/dbraw/zinc/81/31/36/988813136.db2.gz ZIAPZUDJRWOJEK-ZIAGYGMSSA-N 0 1 395.525 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)C1 ZINC001589973098 988814615 /nfs/dbraw/zinc/81/46/15/988814615.db2.gz CCHHPUVGMYLXEK-HNNXBMFYSA-N 0 1 390.480 3.226 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)C1 ZINC001589973099 988815075 /nfs/dbraw/zinc/81/50/75/988815075.db2.gz CCHHPUVGMYLXEK-OAHLLOKOSA-N 0 1 390.480 3.226 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001589974104 988821072 /nfs/dbraw/zinc/82/10/72/988821072.db2.gz MCKLPXUCOAEKGA-VGOFRKELSA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CC[N@@H+](CCC(F)(F)F)CC(=O)[O-])CC1 ZINC001589974331 988824976 /nfs/dbraw/zinc/82/49/76/988824976.db2.gz PGWPLECWVQHISP-UHFFFAOYSA-N 0 1 382.423 3.363 20 0 GGADMN CCc1nc2cc(CNC3CC[NH+](CCCC(=O)[O-])CC3)ccc2n1C1CC1 ZINC001597691114 988880476 /nfs/dbraw/zinc/88/04/76/988880476.db2.gz OKIJMSDKJJXBFJ-UHFFFAOYSA-N 0 1 384.524 3.352 20 0 GGADMN C[C@@H](O)[C@@H](C(=O)[O-])[N@H+](Cc1ccccc1)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001599843146 988883667 /nfs/dbraw/zinc/88/36/67/988883667.db2.gz BHPSNLXEBXPFOV-VSDWSMLSSA-N 0 1 393.483 3.079 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](Cc1ccsc1C(=O)[O-])CCO2 ZINC001589993659 988907566 /nfs/dbraw/zinc/90/75/66/988907566.db2.gz DINTVZDHXSDHCP-UHFFFAOYSA-N 0 1 396.509 3.048 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccsc1C(=O)[O-])CCO2 ZINC001589993659 988907571 /nfs/dbraw/zinc/90/75/71/988907571.db2.gz DINTVZDHXSDHCP-UHFFFAOYSA-N 0 1 396.509 3.048 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C2 ZINC001590003265 988928268 /nfs/dbraw/zinc/92/82/68/988928268.db2.gz JLKKIRVOMITYPN-HXUWFJFHSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCOc3cccc(C(=O)[O-])c3)CC[C@H]21 ZINC001590003202 988928480 /nfs/dbraw/zinc/92/84/80/988928480.db2.gz AZTYTXDSPRAXSD-FUHWJXTLSA-N 0 1 390.480 3.095 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3F)CC[C@@H]21 ZINC001590003598 988932840 /nfs/dbraw/zinc/93/28/40/988932840.db2.gz FPELWIJMCARUQD-WBVHZDCISA-N 0 1 378.444 3.355 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3[nH]cc(C(=O)[O-])c3C3CC3)C2)C1 ZINC001590003924 988935968 /nfs/dbraw/zinc/93/59/68/988935968.db2.gz MVBQAGBDZLKTLH-UHFFFAOYSA-N 0 1 375.469 3.033 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004180 988940399 /nfs/dbraw/zinc/94/03/99/988940399.db2.gz ITHKZEFMGYZWPO-SJORKVTESA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004180 988940412 /nfs/dbraw/zinc/94/04/12/988940412.db2.gz ITHKZEFMGYZWPO-SJORKVTESA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004175 988940614 /nfs/dbraw/zinc/94/06/14/988940614.db2.gz ITHKZEFMGYZWPO-DLBZAZTESA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004175 988940623 /nfs/dbraw/zinc/94/06/23/988940623.db2.gz ITHKZEFMGYZWPO-DLBZAZTESA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCOc1cccc(C(=O)[O-])c1 ZINC001590005253 988949669 /nfs/dbraw/zinc/94/96/69/988949669.db2.gz OVKYPVRONQNOPB-ZWKOTPCHSA-N 0 1 390.480 3.237 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCOc1cccc(C(=O)[O-])c1 ZINC001590005246 988949948 /nfs/dbraw/zinc/94/99/48/988949948.db2.gz OVKYPVRONQNOPB-MSOLQXFVSA-N 0 1 390.480 3.237 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001590005285 988950891 /nfs/dbraw/zinc/95/08/91/988950891.db2.gz PJSSWAFXZXPMBA-RDJZCZTQSA-N 0 1 375.469 3.001 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC001590011143 988961772 /nfs/dbraw/zinc/96/17/72/988961772.db2.gz BIZGPUUSQWNODT-HNNXBMFYSA-N 0 1 390.480 3.226 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]1(C[NH2+]Cc1cc(C(=O)[O-])co1)C(F)(F)F ZINC001590017711 988996043 /nfs/dbraw/zinc/99/60/43/988996043.db2.gz BRPDFYDJZWAHPU-MRXNPFEDSA-N 0 1 392.374 3.399 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001590025838 989020330 /nfs/dbraw/zinc/02/03/30/989020330.db2.gz MDFVDKCICQMKGT-HXUWFJFHSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590026147 989023133 /nfs/dbraw/zinc/02/31/33/989023133.db2.gz PQDSILPMFKYAMC-SFHVURJKSA-N 0 1 381.498 3.207 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590026147 989023142 /nfs/dbraw/zinc/02/31/42/989023142.db2.gz PQDSILPMFKYAMC-SFHVURJKSA-N 0 1 381.498 3.207 20 0 GGADMN CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC001590031268 989035722 /nfs/dbraw/zinc/03/57/22/989035722.db2.gz NIQJEMRNKWZVRS-GOSISDBHSA-N 0 1 397.560 3.085 20 0 GGADMN CC(C)(C)OC(=O)N1CCCCC[C@H]1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC001590031270 989036308 /nfs/dbraw/zinc/03/63/08/989036308.db2.gz NIQJEMRNKWZVRS-SFHVURJKSA-N 0 1 397.560 3.085 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@H]2CCCCC2(F)F)[C@@H](C(=O)[O-])C1 ZINC001590034380 989044437 /nfs/dbraw/zinc/04/44/37/989044437.db2.gz DQSWVPBGOKBQST-ZIAGYGMSSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC2CCCCCC2)[C@H](C(=O)[O-])C1 ZINC001590034691 989048632 /nfs/dbraw/zinc/04/86/32/989048632.db2.gz JTIUICPDDGIJGI-KRWDZBQOSA-N 0 1 384.517 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)[C@H](C(=O)[O-])C1 ZINC001590034977 989053998 /nfs/dbraw/zinc/05/39/98/989053998.db2.gz NWZPPCJECAMSGT-IRXDYDNUSA-N 0 1 396.528 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001590036354 989067693 /nfs/dbraw/zinc/06/76/93/989067693.db2.gz SAGJYACOYKYGRX-UONOGXRCSA-N 0 1 395.525 3.278 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C(C)(C)CC1 ZINC001590057569 989098378 /nfs/dbraw/zinc/09/83/78/989098378.db2.gz FIPAFGIIABNFGE-UHFFFAOYSA-N 0 1 392.496 3.485 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@H+](Cc2cncc(C(=O)[O-])c2)C2(CCC2)CC1 ZINC001590058717 989103064 /nfs/dbraw/zinc/10/30/64/989103064.db2.gz QTPZUVQPCNVOKP-UHFFFAOYSA-N 0 1 375.469 3.145 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C2(CCC2)CC1 ZINC001590058717 989103070 /nfs/dbraw/zinc/10/30/70/989103070.db2.gz QTPZUVQPCNVOKP-UHFFFAOYSA-N 0 1 375.469 3.145 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC001597761468 989187815 /nfs/dbraw/zinc/18/78/15/989187815.db2.gz GOQYDGZMTJXSPI-UHFFFAOYSA-N 0 1 391.493 3.010 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC001597761468 989187819 /nfs/dbraw/zinc/18/78/19/989187819.db2.gz GOQYDGZMTJXSPI-UHFFFAOYSA-N 0 1 391.493 3.010 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC001597761441 989188412 /nfs/dbraw/zinc/18/84/12/989188412.db2.gz FNUMCUIJAHTHKE-IBGZPJMESA-N 0 1 397.475 3.492 20 0 GGADMN CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001597766138 989208988 /nfs/dbraw/zinc/20/89/88/989208988.db2.gz DQFCLBKYPZPUMF-UYAOXDASSA-N 0 1 384.476 3.016 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C[C@]2(C)C1 ZINC001590091670 989210257 /nfs/dbraw/zinc/21/02/57/989210257.db2.gz RLMYQHKATDVJNO-ZSOFBXJNSA-N 0 1 378.444 3.140 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC001597766519 989213671 /nfs/dbraw/zinc/21/36/71/989213671.db2.gz SLLQBBIWZYJREH-UHFFFAOYSA-N 0 1 386.477 3.176 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2sc(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)cc2C1 ZINC001590092224 989216727 /nfs/dbraw/zinc/21/67/27/989216727.db2.gz LTEIUYYBLBQKRB-IBGZPJMESA-N 0 1 380.510 3.338 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001590096953 989223230 /nfs/dbraw/zinc/22/32/30/989223230.db2.gz CXXFKCVVXOMSPI-GJZGRUSLSA-N 0 1 383.448 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001590096953 989223240 /nfs/dbraw/zinc/22/32/40/989223240.db2.gz CXXFKCVVXOMSPI-GJZGRUSLSA-N 0 1 383.448 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])c4cccnc34)C[C@@H]2C1 ZINC001590097720 989227066 /nfs/dbraw/zinc/22/70/66/989227066.db2.gz MNDBQZMWLRVPHS-IYBDPMFKSA-N 0 1 397.475 3.232 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599864744 989228239 /nfs/dbraw/zinc/22/82/39/989228239.db2.gz HIICGAWTMXPARZ-OAHLLOKOSA-N 0 1 397.475 3.255 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@H]1CC(=O)[O-] ZINC001599864895 989231000 /nfs/dbraw/zinc/23/10/00/989231000.db2.gz OJNDPHNYDNNCHR-UKRRQHHQSA-N 0 1 398.425 3.239 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599865562 989247144 /nfs/dbraw/zinc/24/71/44/989247144.db2.gz LEHJVLMSWIZDPU-VMMSNCAXSA-N 0 1 390.480 3.008 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(C(=O)[O-])s3)n2)O1 ZINC001599866387 989268807 /nfs/dbraw/zinc/26/88/07/989268807.db2.gz JXPLSNGISNJEPJ-OCCSQVGLSA-N 0 1 385.445 3.458 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(C(=O)[O-])s3)n2)O1 ZINC001599866387 989268819 /nfs/dbraw/zinc/26/88/19/989268819.db2.gz JXPLSNGISNJEPJ-OCCSQVGLSA-N 0 1 385.445 3.458 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599866663 989274916 /nfs/dbraw/zinc/27/49/16/989274916.db2.gz IGBXVBZNNRHXRB-CEQIKUNHSA-N 0 1 386.517 3.386 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599866926 989281383 /nfs/dbraw/zinc/28/13/83/989281383.db2.gz KWYXOJJKKRZPHD-YLJYHZDGSA-N 0 1 380.488 3.325 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001590118243 989327967 /nfs/dbraw/zinc/32/79/67/989327967.db2.gz UMHRZOSNBMMYIK-ZDUSSCGKSA-N 0 1 384.423 3.291 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001590118463 989330484 /nfs/dbraw/zinc/33/04/84/989330484.db2.gz VVOJEWJJZJJMEV-FOIQADDNSA-N 0 1 398.450 3.263 20 0 GGADMN CCc1oc(C[N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)cc1C(=O)[O-] ZINC001597796321 989352370 /nfs/dbraw/zinc/35/23/70/989352370.db2.gz LAOMRCPNHKWWIZ-QGZVFWFLSA-N 0 1 386.492 3.263 20 0 GGADMN CCc1oc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1C(=O)[O-] ZINC001597798500 989368258 /nfs/dbraw/zinc/36/82/58/989368258.db2.gz HDBDOSAXIJVSJR-KRWDZBQOSA-N 0 1 392.402 3.099 20 0 GGADMN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CCOc1ccccc1C(=O)[O-])C2 ZINC001590137560 989386609 /nfs/dbraw/zinc/38/66/09/989386609.db2.gz AXXGHWSWHGDALG-QVKFZJNVSA-N 0 1 390.480 3.143 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cccc(C(=O)[O-])c1)C2 ZINC001590137937 989389731 /nfs/dbraw/zinc/38/97/31/989389731.db2.gz BRWKZPHTCQERRI-XIRDDKMYSA-N 0 1 390.480 3.141 20 0 GGADMN CCc1oc(C[NH2+]Cc2cc(Cl)cc(S(=O)(=O)CC)c2)cc1C(=O)[O-] ZINC001597805590 989414376 /nfs/dbraw/zinc/41/43/76/989414376.db2.gz JEZVYKWORZXSRW-UHFFFAOYSA-N 0 1 385.869 3.277 20 0 GGADMN CCc1onc(C)c1C[N@@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001597813882 989438337 /nfs/dbraw/zinc/43/83/37/989438337.db2.gz UPNWGHSXNQSKGH-OAHLLOKOSA-N 0 1 379.254 3.319 20 0 GGADMN CCc1onc(C)c1C[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001597813882 989438342 /nfs/dbraw/zinc/43/83/42/989438342.db2.gz UPNWGHSXNQSKGH-OAHLLOKOSA-N 0 1 379.254 3.319 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001599878048 989444884 /nfs/dbraw/zinc/44/48/84/989444884.db2.gz BQAXPDQNIYKKOL-SJLPKXTDSA-N 0 1 382.460 3.389 20 0 GGADMN CC(C)(C)OC(=O)NCC1(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCC1 ZINC001590165506 989481790 /nfs/dbraw/zinc/48/17/90/989481790.db2.gz RSMQWBDRRULURP-ZDUSSCGKSA-N 0 1 395.525 3.326 20 0 GGADMN CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2Cc1cccc(C(=O)[O-])n1 ZINC001590167871 989486252 /nfs/dbraw/zinc/48/62/52/989486252.db2.gz CNMQXDKOTHZLET-UHFFFAOYSA-N 0 1 375.469 3.049 20 0 GGADMN CC(C)(C)OC(=O)NCC12CCC(CC1)[N@H+]2[C@H](C(=O)[O-])c1ccccc1F ZINC001590169926 989492705 /nfs/dbraw/zinc/49/27/05/989492705.db2.gz NZKDPDAUMBDMGJ-FOCKTWCOSA-N 0 1 378.444 3.473 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](Cc3ccc(C(=O)[O-])cn3)C[C@H]1CCCC2 ZINC001590170976 989497438 /nfs/dbraw/zinc/49/74/38/989497438.db2.gz UPFIXPUDPBQLJK-IERDGZPVSA-N 0 1 389.496 3.297 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CCCO1 ZINC001590176597 989509047 /nfs/dbraw/zinc/50/90/47/989509047.db2.gz KVWHMSUWXVZDFY-BBRMVZONSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CCCO1 ZINC001590176604 989509258 /nfs/dbraw/zinc/50/92/58/989509258.db2.gz KVWHMSUWXVZDFY-XJKSGUPXSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CC[C@H]1C(F)(F)F ZINC001590178747 989524845 /nfs/dbraw/zinc/52/48/45/989524845.db2.gz YUFXUPJYKCNTRW-CHWSQXEVSA-N 0 1 394.434 3.266 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CC[C@H]1C(F)(F)F ZINC001590178751 989524970 /nfs/dbraw/zinc/52/49/70/989524970.db2.gz YUFXUPJYKCNTRW-QWHCGFSZSA-N 0 1 394.434 3.266 20 0 GGADMN C[C@]12CN(C(=O)CCc3ccccc3C(=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884906 989539171 /nfs/dbraw/zinc/53/91/71/989539171.db2.gz NVPDXVNFMJBOLZ-YKSBVNFPSA-N 0 1 392.499 3.298 20 0 GGADMN C[C@]12CN(C(=O)c3cc(F)cc(C(=O)[O-])c3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884884 989539198 /nfs/dbraw/zinc/53/91/98/989539198.db2.gz MSKXDCWDMCTCAJ-GCJKJVERSA-N 0 1 382.435 3.118 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001590185507 989542471 /nfs/dbraw/zinc/54/24/71/989542471.db2.gz RUUWIAAOFJBHPU-MRXNPFEDSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)NCCC[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)CC1CCCC1 ZINC001590195079 989553619 /nfs/dbraw/zinc/55/36/19/989553619.db2.gz PUZFLQUSVLHFIW-GJZGRUSLSA-N 0 1 390.471 3.359 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1 ZINC001590224151 989595801 /nfs/dbraw/zinc/59/58/01/989595801.db2.gz QUOSBGYRTOHOCS-MRXNPFEDSA-N 0 1 380.510 3.103 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001590257428 989651003 /nfs/dbraw/zinc/65/10/03/989651003.db2.gz QVGFRUSNOMAORH-OAHLLOKOSA-N 0 1 385.464 3.422 20 0 GGADMN CCn1c2ccccc2c2cc(C[N@@H+](C)CCC(=O)N(C)CC(=O)[O-])ccc21 ZINC001597868429 989661075 /nfs/dbraw/zinc/66/10/75/989661075.db2.gz HIDGNCPICGAHJC-UHFFFAOYSA-N 0 1 381.476 3.179 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1F ZINC001590268291 989670687 /nfs/dbraw/zinc/67/06/87/989670687.db2.gz WQUBBPXKFRHAPP-KFWWJZLASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CC[C@H]1F ZINC001590268291 989670689 /nfs/dbraw/zinc/67/06/89/989670689.db2.gz WQUBBPXKFRHAPP-KFWWJZLASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@]2(C(=O)[O-])C1 ZINC001590290851 989706507 /nfs/dbraw/zinc/70/65/07/989706507.db2.gz HULRNBRFRCJMRK-VWKPWSFCSA-N 0 1 378.513 3.257 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CCCc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC001590291543 989708778 /nfs/dbraw/zinc/70/87/78/989708778.db2.gz RWNQBZUDUBUZGI-KGVIQGDOSA-N 0 1 388.508 3.309 20 0 GGADMN CCn1cc([C@H](O)C[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)Cc2ccccc2)cn1 ZINC001597882417 989712677 /nfs/dbraw/zinc/71/26/77/989712677.db2.gz PJHUERAKUDTWNP-HXUWFJFHSA-N 0 1 383.448 3.238 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])nn1 ZINC001590303703 989731148 /nfs/dbraw/zinc/73/11/48/989731148.db2.gz NJNBRSBFKCGFHO-KRWDZBQOSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)CC2 ZINC001590318397 989748405 /nfs/dbraw/zinc/74/84/05/989748405.db2.gz CRPQGNFKYDAHEM-ZFWWWQNUSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C2 ZINC001590319260 989753633 /nfs/dbraw/zinc/75/36/33/989753633.db2.gz ZCLNJZWTVDTAAE-UKRRQHHQSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C2 ZINC001590319258 989753784 /nfs/dbraw/zinc/75/37/84/989753784.db2.gz ZCLNJZWTVDTAAE-DZGCQCFKSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cn1 ZINC001590320084 989760138 /nfs/dbraw/zinc/76/01/38/989760138.db2.gz VDMQSFZHMZPDQM-IAGOWNOFSA-N 0 1 398.463 3.124 20 0 GGADMN CN(C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001597991198 990090172 /nfs/dbraw/zinc/09/01/72/990090172.db2.gz DTGCNACBGYDPJD-GOSISDBHSA-N 0 1 376.840 3.069 20 0 GGADMN CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001590571484 990207855 /nfs/dbraw/zinc/20/78/55/990207855.db2.gz AQRCGTRLTLXNAF-QFIPXVFZSA-N 0 1 396.491 3.034 20 0 GGADMN CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001590571484 990207862 /nfs/dbraw/zinc/20/78/62/990207862.db2.gz AQRCGTRLTLXNAF-QFIPXVFZSA-N 0 1 396.491 3.034 20 0 GGADMN CN(C(=O)C[NH+]1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1)c1nccs1 ZINC001598023624 990224197 /nfs/dbraw/zinc/22/41/97/990224197.db2.gz OPBZAGOEGPHIGL-UHFFFAOYSA-N 0 1 398.488 3.165 20 0 GGADMN CN(C(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1C(=O)[O-] ZINC001598023711 990225157 /nfs/dbraw/zinc/22/51/57/990225157.db2.gz PLOHZRHCKTWNAW-INIZCTEOSA-N 0 1 388.851 3.154 20 0 GGADMN CN(C(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1C(=O)[O-] ZINC001598023711 990225167 /nfs/dbraw/zinc/22/51/67/990225167.db2.gz PLOHZRHCKTWNAW-INIZCTEOSA-N 0 1 388.851 3.154 20 0 GGADMN CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047444 990287068 /nfs/dbraw/zinc/28/70/68/990287068.db2.gz PXGSDVOLOHIKPT-RYQLBKOJSA-N 0 1 393.915 3.199 20 0 GGADMN CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047444 990287076 /nfs/dbraw/zinc/28/70/76/990287076.db2.gz PXGSDVOLOHIKPT-RYQLBKOJSA-N 0 1 393.915 3.199 20 0 GGADMN CC(C)(C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C1)C(N)=O ZINC001590654875 990349772 /nfs/dbraw/zinc/34/97/72/990349772.db2.gz WTWZKRVKAFBELY-DOMZBBRYSA-N 0 1 397.313 3.188 20 0 GGADMN CC(C)(CC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1)C(=O)[O-] ZINC001590670695 990374224 /nfs/dbraw/zinc/37/42/24/990374224.db2.gz HTMJXRKLBUKUDF-MRXNPFEDSA-N 0 1 384.480 3.342 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(=O)[O-] ZINC001590716669 990478740 /nfs/dbraw/zinc/47/87/40/990478740.db2.gz DQDKOACMJAJROH-MOPGFXCFSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)(CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(=O)[O-] ZINC001590716984 990480868 /nfs/dbraw/zinc/48/08/68/990480868.db2.gz HVMDHGKSOPGBHC-UHFFFAOYSA-N 0 1 387.524 3.185 20 0 GGADMN CC(C)(CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)CC(=O)[O-] ZINC001590723366 990505145 /nfs/dbraw/zinc/50/51/45/990505145.db2.gz ZXENBJOIWAMUGA-QGZVFWFLSA-N 0 1 395.931 3.495 20 0 GGADMN CC(C)(CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)CC(=O)[O-] ZINC001590723365 990505593 /nfs/dbraw/zinc/50/55/93/990505593.db2.gz ZXENBJOIWAMUGA-KRWDZBQOSA-N 0 1 395.931 3.495 20 0 GGADMN CN(C)C(=O)C1([NH2+]Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCCCC1 ZINC001598113298 990511143 /nfs/dbraw/zinc/51/11/43/990511143.db2.gz FXOJRUBXMAKRHR-UHFFFAOYSA-N 0 1 387.505 3.389 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001590739474 990535975 /nfs/dbraw/zinc/53/59/75/990535975.db2.gz HXXWMOVYBQXLQX-LBPRGKRZSA-N 0 1 383.514 3.182 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001590739851 990538885 /nfs/dbraw/zinc/53/88/85/990538885.db2.gz TXWAKMYXRWJVLQ-IAGOWNOFSA-N 0 1 376.497 3.338 20 0 GGADMN CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598144151 990608265 /nfs/dbraw/zinc/60/82/65/990608265.db2.gz BRSMSVCSRDBJIA-ZDUSSCGKSA-N 0 1 399.285 3.200 20 0 GGADMN CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598144151 990608267 /nfs/dbraw/zinc/60/82/67/990608267.db2.gz BRSMSVCSRDBJIA-ZDUSSCGKSA-N 0 1 399.285 3.200 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1 ZINC001598145716 990619121 /nfs/dbraw/zinc/61/91/21/990619121.db2.gz RPZWADPVZBQRSR-JQHSSLGASA-N 0 1 392.521 3.305 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1 ZINC001598145722 990619205 /nfs/dbraw/zinc/61/92/05/990619205.db2.gz RPZWADPVZBQRSR-RYQLBKOJSA-N 0 1 392.521 3.305 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)c1cccc(Cl)c1 ZINC001598162834 990664729 /nfs/dbraw/zinc/66/47/29/990664729.db2.gz LBCJINWEFNEXLT-GOSISDBHSA-N 0 1 387.867 3.230 20 0 GGADMN CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC001598163333 990669391 /nfs/dbraw/zinc/66/93/91/990669391.db2.gz UMVYGHJTEVDSMJ-UHFFFAOYSA-N 0 1 391.265 3.139 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccc(Cl)cc1 ZINC001598163888 990673637 /nfs/dbraw/zinc/67/36/37/990673637.db2.gz YJAOIZQGRBVORT-FJIDUMEYSA-N 0 1 378.900 3.435 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC001598171536 990707054 /nfs/dbraw/zinc/70/70/54/990707054.db2.gz VNLWYJKIOFXKKX-SFHVURJKSA-N 0 1 389.883 3.069 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938491 990963829 /nfs/dbraw/zinc/96/38/29/990963829.db2.gz FRYCWJSRCGCXNK-XJKSGUPXSA-N 0 1 386.414 3.315 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938490 990963922 /nfs/dbraw/zinc/96/39/22/990963922.db2.gz FRYCWJSRCGCXNK-CZUORRHYSA-N 0 1 386.414 3.315 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001590938488 990964003 /nfs/dbraw/zinc/96/40/03/990964003.db2.gz FRYCWJSRCGCXNK-BBRMVZONSA-N 0 1 386.414 3.315 20 0 GGADMN C[NH+](C)Cc1cc(C(=O)Nc2c(OCc3ccccc3)cccc2C(=O)[O-])no1 ZINC001598247647 991020285 /nfs/dbraw/zinc/02/02/85/991020285.db2.gz WWQFBOPABPBCCH-UHFFFAOYSA-N 0 1 395.415 3.266 20 0 GGADMN CN(C)Cc1ccc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c2c1OC(F)(F)O2 ZINC001598252130 991031064 /nfs/dbraw/zinc/03/10/64/991031064.db2.gz DSMKCTIYQGVYDN-DNVCBOLYSA-N 0 1 396.434 3.147 20 0 GGADMN CN(C)Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c2c1OC(F)(F)O2 ZINC001598252130 991031069 /nfs/dbraw/zinc/03/10/69/991031069.db2.gz DSMKCTIYQGVYDN-DNVCBOLYSA-N 0 1 396.434 3.147 20 0 GGADMN COc1ccccc1-c1ccc(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@@H](C)C2)s1 ZINC001599692739 991097425 /nfs/dbraw/zinc/09/74/25/991097425.db2.gz BATYFSSTBJYHIT-AWEZNQCLSA-N 0 1 388.489 3.045 20 0 GGADMN COc1ccccc1-c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)s1 ZINC001599692739 991097434 /nfs/dbraw/zinc/09/74/34/991097434.db2.gz BATYFSSTBJYHIT-AWEZNQCLSA-N 0 1 388.489 3.045 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001590980908 991135406 /nfs/dbraw/zinc/13/54/06/991135406.db2.gz MGMNWYNPIACBIN-RTBURBONSA-N 0 1 387.524 3.039 20 0 GGADMN COc1ccccc1-c1nc(C[NH+]2CCC3(CC(C(=O)[O-])=NO3)CC2)cs1 ZINC001599695032 991135518 /nfs/dbraw/zinc/13/55/18/991135518.db2.gz GVDGLOYUZZGSER-UHFFFAOYSA-N 0 1 387.461 3.014 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001590980905 991135797 /nfs/dbraw/zinc/13/57/97/991135797.db2.gz MGMNWYNPIACBIN-RBUKOAKNSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590981260 991139134 /nfs/dbraw/zinc/13/91/34/991139134.db2.gz RYOZSGCXOFYMOC-KRWDZBQOSA-N 0 1 389.521 3.402 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590981261 991139543 /nfs/dbraw/zinc/13/95/43/991139543.db2.gz RYOZSGCXOFYMOC-QGZVFWFLSA-N 0 1 389.521 3.402 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001598295208 991225245 /nfs/dbraw/zinc/22/52/45/991225245.db2.gz SWJWHGRESZSTFC-UHFFFAOYSA-N 0 1 396.491 3.191 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001598298392 991231277 /nfs/dbraw/zinc/23/12/77/991231277.db2.gz KMEKZKIRZVXEID-KRWDZBQOSA-N 0 1 388.512 3.369 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001598298618 991235449 /nfs/dbraw/zinc/23/54/49/991235449.db2.gz OWAKZFDUXRCBLE-GOSISDBHSA-N 0 1 396.491 3.237 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001598298619 991235713 /nfs/dbraw/zinc/23/57/13/991235713.db2.gz OWAKZFDUXRCBLE-SFHVURJKSA-N 0 1 396.491 3.237 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccccc1Cl ZINC001591007798 991272342 /nfs/dbraw/zinc/27/23/42/991272342.db2.gz NFTVKRCTQXZQRH-KBXCAEBGSA-N 0 1 381.904 3.228 20 0 GGADMN CC(C)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccccc1Cl ZINC001591007799 991272778 /nfs/dbraw/zinc/27/27/78/991272778.db2.gz NFTVKRCTQXZQRH-KDOFPFPSSA-N 0 1 381.904 3.228 20 0 GGADMN COc1ccccc1[C@@H]1CSCCC[N@@H+]1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599705220 991282568 /nfs/dbraw/zinc/28/25/68/991282568.db2.gz FLEYMHDSZCRZFD-KRWDZBQOSA-N 0 1 388.489 3.393 20 0 GGADMN COc1ccccc1[C@@H]1CSCCC[N@H+]1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599705220 991282569 /nfs/dbraw/zinc/28/25/69/991282569.db2.gz FLEYMHDSZCRZFD-KRWDZBQOSA-N 0 1 388.489 3.393 20 0 GGADMN COc1ccccc1[C@H]1CSCCC[N@@H+]1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599705222 991282733 /nfs/dbraw/zinc/28/27/33/991282733.db2.gz FLEYMHDSZCRZFD-QGZVFWFLSA-N 0 1 388.489 3.393 20 0 GGADMN COc1ccccc1[C@H]1CSCCC[N@H+]1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599705222 991282740 /nfs/dbraw/zinc/28/27/40/991282740.db2.gz FLEYMHDSZCRZFD-QGZVFWFLSA-N 0 1 388.489 3.393 20 0 GGADMN CN(C)c1ccc(C2CC[NH+](CC(=O)Nc3ccsc3C(=O)[O-])CC2)cc1 ZINC001598314592 991299775 /nfs/dbraw/zinc/29/97/75/991299775.db2.gz ZEEYWYLINMVHDO-UHFFFAOYSA-N 0 1 387.505 3.330 20 0 GGADMN CN(C)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC001598318003 991309955 /nfs/dbraw/zinc/30/99/55/991309955.db2.gz UFZVBMGYKLDFDT-MRXNPFEDSA-N 0 1 378.270 3.168 20 0 GGADMN CC(C)[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@H](O)c1ccc(Cl)cc1 ZINC001591023988 991310006 /nfs/dbraw/zinc/31/00/06/991310006.db2.gz FAPOFETWJSQQCD-WOJBJXKFSA-N 0 1 382.932 3.317 20 0 GGADMN CC(C)[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC001591023985 991310167 /nfs/dbraw/zinc/31/01/67/991310167.db2.gz FAPOFETWJSQQCD-PMACEKPBSA-N 0 1 382.932 3.317 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599709673 991349622 /nfs/dbraw/zinc/34/96/22/991349622.db2.gz ABIQFGCXWQTSEI-SFHVURJKSA-N 0 1 382.460 3.347 20 0 GGADMN COc1ccccc1COC1CC[NH+](CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001599712916 991402145 /nfs/dbraw/zinc/40/21/45/991402145.db2.gz NXJIYWYZTVUKKI-UHFFFAOYSA-N 0 1 398.459 3.013 20 0 GGADMN CN(C)c1ncc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)s1 ZINC001598353740 991460586 /nfs/dbraw/zinc/46/05/86/991460586.db2.gz ILYRCNXZWCCPKY-UHFFFAOYSA-N 0 1 398.326 3.449 20 0 GGADMN CN(C)c1ncccc1C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001598358605 991477479 /nfs/dbraw/zinc/47/74/79/991477479.db2.gz GJGATEHJXFCDHV-UHFFFAOYSA-N 0 1 392.297 3.387 20 0 GGADMN COc1cc[nH+]c(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001599721236 991541695 /nfs/dbraw/zinc/54/16/95/991541695.db2.gz ACJQJPPUPDYGCD-QGZVFWFLSA-N 0 1 396.274 3.345 20 0 GGADMN CN(C(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001598379019 991570774 /nfs/dbraw/zinc/57/07/74/991570774.db2.gz HTAWPGZGLALWLV-UHFFFAOYSA-N 0 1 380.366 3.498 20 0 GGADMN CN(C(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001598379019 991570778 /nfs/dbraw/zinc/57/07/78/991570778.db2.gz HTAWPGZGLALWLV-UHFFFAOYSA-N 0 1 380.366 3.498 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCCCCCC1 ZINC001598387977 991626700 /nfs/dbraw/zinc/62/67/00/991626700.db2.gz YJLWPSBCDJVTFP-FQEVSTJZSA-N 0 1 385.508 3.325 20 0 GGADMN CC(C)[C@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001591093030 991651593 /nfs/dbraw/zinc/65/15/93/991651593.db2.gz HPXZJXPLQLGOFE-XUVXKRRUSA-N 0 1 387.524 3.182 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001591093054 991653033 /nfs/dbraw/zinc/65/30/33/991653033.db2.gz INAGSJBLTMAPAS-OAQYLSRUSA-N 0 1 380.488 3.296 20 0 GGADMN CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC001598403935 991703556 /nfs/dbraw/zinc/70/35/56/991703556.db2.gz YMPURCHQIZSQRF-UHFFFAOYSA-N 0 1 387.505 3.072 20 0 GGADMN CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC001598403935 991703564 /nfs/dbraw/zinc/70/35/64/991703564.db2.gz YMPURCHQIZSQRF-UHFFFAOYSA-N 0 1 387.505 3.072 20 0 GGADMN CN(CC(=O)[O-])C(=O)CC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001598404595 991711028 /nfs/dbraw/zinc/71/10/28/991711028.db2.gz JBKFYJVQFWIGRI-HNNXBMFYSA-N 0 1 386.414 3.206 20 0 GGADMN CC(C)CC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC001591106271 991737178 /nfs/dbraw/zinc/73/71/78/991737178.db2.gz DSGJJOCSSITLTE-QGZVFWFLSA-N 0 1 386.414 3.412 20 0 GGADMN COc1ncc(Br)cc1C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001599733264 991738066 /nfs/dbraw/zinc/73/80/66/991738066.db2.gz MORZUBXSXKMTCY-UHFFFAOYSA-N 0 1 377.238 3.109 20 0 GGADMN COc1ncc(Br)cc1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001599733264 991738075 /nfs/dbraw/zinc/73/80/75/991738075.db2.gz MORZUBXSXKMTCY-UHFFFAOYSA-N 0 1 377.238 3.109 20 0 GGADMN COc1ncc(Br)cc1C[NH2+]Cc1cc(C(=O)[O-])ccc1Cl ZINC001599733757 991743926 /nfs/dbraw/zinc/74/39/26/991743926.db2.gz ZYZYTARNCPVVOM-UHFFFAOYSA-N 0 1 385.645 3.494 20 0 GGADMN CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001598420485 991758288 /nfs/dbraw/zinc/75/82/88/991758288.db2.gz ZSTLSMWFAMZHBY-SFHVURJKSA-N 0 1 391.471 3.255 20 0 GGADMN C[N@@H+](CC(C)(C)CN1CCOCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598423608 991761656 /nfs/dbraw/zinc/76/16/56/991761656.db2.gz KFXGLLQGHOXWAH-INIZCTEOSA-N 0 1 389.323 3.409 20 0 GGADMN C[N@@H+](CC(C)(C)CN1CCOCC1)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598423576 991762102 /nfs/dbraw/zinc/76/21/02/991762102.db2.gz ITEGPZLEEVFREV-MRXNPFEDSA-N 0 1 388.430 3.121 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC001591123187 991804746 /nfs/dbraw/zinc/80/47/46/991804746.db2.gz PSSJBEWZTGYLGR-MLHJIOFPSA-N 0 1 398.544 3.270 20 0 GGADMN C[N@@H+](C[C@@H](O)CC1(O)CCCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598433547 991810813 /nfs/dbraw/zinc/81/08/13/991810813.db2.gz VFRSBDIIYLWJQB-WFASDCNBSA-N 0 1 376.280 3.107 20 0 GGADMN C[N@@H+](C[C@H](O)CC1(O)CCCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598433541 991811538 /nfs/dbraw/zinc/81/15/38/991811538.db2.gz VFRSBDIIYLWJQB-DOMZBBRYSA-N 0 1 376.280 3.107 20 0 GGADMN C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598436362 991828554 /nfs/dbraw/zinc/82/85/54/991828554.db2.gz MGFDLRWFZKZACN-RDJZCZTQSA-N 0 1 384.259 3.491 20 0 GGADMN COc1nsc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C(=O)[O-] ZINC001599740310 991839252 /nfs/dbraw/zinc/83/92/52/991839252.db2.gz NZURGXMEYGGLKC-UHFFFAOYSA-N 0 1 389.521 3.194 20 0 GGADMN COc1nsc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C(=O)[O-] ZINC001599740310 991839256 /nfs/dbraw/zinc/83/92/56/991839256.db2.gz NZURGXMEYGGLKC-UHFFFAOYSA-N 0 1 389.521 3.194 20 0 GGADMN C[N@@H+](C[C@H](O)c1cccc(Br)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598437293 991842966 /nfs/dbraw/zinc/84/29/66/991842966.db2.gz QDDAQUOLDOXSAF-JKSUJKDBSA-N 0 1 382.229 3.379 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001598437723 991850970 /nfs/dbraw/zinc/85/09/70/991850970.db2.gz ZDBJYZTUPWZLTE-ZNMIVQPWSA-N 0 1 375.387 3.177 20 0 GGADMN C[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[C@H](COC1CCC1)C(=O)[O-] ZINC001598453568 991917649 /nfs/dbraw/zinc/91/76/49/991917649.db2.gz PIEKFMGGSWBWAH-YCXXCVGLSA-N 0 1 396.528 3.119 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC001591167538 991934026 /nfs/dbraw/zinc/93/40/26/991934026.db2.gz HFMYGXWOOFFEQC-HXUWFJFHSA-N 0 1 390.524 3.269 20 0 GGADMN CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001599746999 991941945 /nfs/dbraw/zinc/94/19/45/991941945.db2.gz XGRXUOKMFMIBSM-OAHLLOKOSA-N 0 1 377.462 3.044 20 0 GGADMN CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001599746999 991941954 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COZUKIBHKWAFGX-KRWDZBQOSA-N 0 1 391.489 3.434 20 0 GGADMN CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001599750365 991983462 /nfs/dbraw/zinc/98/34/62/991983462.db2.gz COZUKIBHKWAFGX-QGZVFWFLSA-N 0 1 391.489 3.434 20 0 GGADMN CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001599750365 991983471 /nfs/dbraw/zinc/98/34/71/991983471.db2.gz COZUKIBHKWAFGX-QGZVFWFLSA-N 0 1 391.489 3.434 20 0 GGADMN C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598469711 992006506 /nfs/dbraw/zinc/00/65/06/992006506.db2.gz RYJMSFMGZLYSKB-AWEZNQCLSA-N 0 1 389.279 3.276 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598469810 992008334 /nfs/dbraw/zinc/00/83/34/992008334.db2.gz YWZMKBNXPKGDLS-UHFFFAOYSA-N 0 1 376.840 3.264 20 0 GGADMN C[N@@H+](CCC(=O)NCC(=O)[O-])Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001598469857 992009518 /nfs/dbraw/zinc/00/95/18/992009518.db2.gz OPNMSNFTMFMRKB-UHFFFAOYSA-N 0 1 394.830 3.294 20 0 GGADMN C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598469935 992010264 /nfs/dbraw/zinc/01/02/64/992010264.db2.gz TWSOLMKMWFRRFD-NRFANRHFSA-N 0 1 396.487 3.166 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001598472473 992049346 /nfs/dbraw/zinc/04/93/46/992049346.db2.gz RQJTZYHYDFRJKO-AWEZNQCLSA-N 0 1 399.438 3.367 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001591210969 992049830 /nfs/dbraw/zinc/04/98/30/992049830.db2.gz JQIODZXKIVBRLQ-LJQANCHMSA-N 0 1 382.508 3.344 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591211055 992050892 /nfs/dbraw/zinc/05/08/92/992050892.db2.gz OEZMTJSSUYCFAQ-QGZVFWFLSA-N 0 1 379.526 3.198 20 0 GGADMN C[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598477455 992098368 /nfs/dbraw/zinc/09/83/68/992098368.db2.gz NTTSFHZUIOTJPO-UHFFFAOYSA-N 0 1 392.496 3.371 20 0 GGADMN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](C(=O)[O-])c1ccccc1Cl 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394.265 3.192 20 0 GGADMN C[N@@H+](CC[S@@](=O)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598499289 992409707 /nfs/dbraw/zinc/40/97/07/992409707.db2.gz PVSCOTFUIHYTAQ-MLMJSJRWSA-N 0 1 378.199 3.319 20 0 GGADMN C[N@@H+](CC[S@](=O)C(F)(F)F)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598499290 992409956 /nfs/dbraw/zinc/40/99/56/992409956.db2.gz PVSCOTFUIHYTAQ-STFLBKPXSA-N 0 1 378.199 3.319 20 0 GGADMN C[N@H+](CC[S@@](=O)C(F)(F)F)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598499343 992410326 /nfs/dbraw/zinc/41/03/26/992410326.db2.gz RBFFOWZHNSJTQK-ZQJOYCHOSA-N 0 1 378.199 3.319 20 0 GGADMN C[N@@H+](CC[S@@](=O)C(F)(F)F)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598499343 992410330 /nfs/dbraw/zinc/41/03/30/992410330.db2.gz RBFFOWZHNSJTQK-ZQJOYCHOSA-N 0 1 378.199 3.319 20 0 GGADMN CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001591378464 992416000 /nfs/dbraw/zinc/41/60/00/992416000.db2.gz IQIFWCNLSKRHQT-MRXNPFEDSA-N 0 1 387.505 3.217 20 0 GGADMN 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HSUOHBNAZVFSJT-XGWLTEMNSA-N 0 1 385.291 3.137 20 0 GGADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)C[C@H](O)c1cccc(Br)c1 ZINC001598507417 992523339 /nfs/dbraw/zinc/52/33/39/992523339.db2.gz PSLCCHFSLALURW-INIZCTEOSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001598507966 992531819 /nfs/dbraw/zinc/53/18/19/992531819.db2.gz XXHCYYCKPABKFF-HXUWFJFHSA-N 0 1 381.476 3.150 20 0 GGADMN C[N@@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001598507966 992531829 /nfs/dbraw/zinc/53/18/29/992531829.db2.gz XXHCYYCKPABKFF-HXUWFJFHSA-N 0 1 381.476 3.150 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccoc1C(=O)[O-] ZINC001591441846 992538461 /nfs/dbraw/zinc/53/84/61/992538461.db2.gz STOHMOHRUCPYIV-RTBURBONSA-N 0 1 384.476 3.388 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(Br)c1)C[C@](C)(O)c1ccccc1 ZINC001598509225 992547208 /nfs/dbraw/zinc/54/72/08/992547208.db2.gz JMTKANMCEMLWTQ-SFHVURJKSA-N 0 1 378.266 3.487 20 0 GGADMN 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ZINC001598526542 992726757 /nfs/dbraw/zinc/72/67/57/992726757.db2.gz CMGOSKJGNXUGGO-UHFFFAOYSA-N 0 1 393.487 3.465 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2CCC(=O)[O-])CCC1 ZINC001598526536 992726898 /nfs/dbraw/zinc/72/68/98/992726898.db2.gz CJOGCQYGUFDLPC-UHFFFAOYSA-N 0 1 380.488 3.488 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C1CC1 ZINC001598526518 992726998 /nfs/dbraw/zinc/72/69/98/992726998.db2.gz BWNPKGZCHZIUGN-NRFANRHFSA-N 0 1 393.487 3.321 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001598527023 992732701 /nfs/dbraw/zinc/73/27/01/992732701.db2.gz MUYXZALANBOKRQ-NRFANRHFSA-N 0 1 395.503 3.137 20 0 GGADMN CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598528197 992746457 /nfs/dbraw/zinc/74/64/57/992746457.db2.gz XHCUZLQIGSFUFN-UHFFFAOYSA-N 0 1 378.428 3.393 20 0 GGADMN CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555955 992750131 /nfs/dbraw/zinc/75/01/31/992750131.db2.gz PLPXRKPVRHKKJP-MOPGFXCFSA-N 0 1 389.521 3.262 20 0 GGADMN C[N@H+](Cc1ccccc1)C[C@H](O)COc1cc(Br)cc(C(=O)[O-])c1 ZINC001598528724 992750332 /nfs/dbraw/zinc/75/03/32/992750332.db2.gz JYOVZLDDZCYUBA-INIZCTEOSA-N 0 1 394.265 3.019 20 0 GGADMN CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN([C@@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555959 992750675 /nfs/dbraw/zinc/75/06/75/992750675.db2.gz PLPXRKPVRHKKJP-RTBURBONSA-N 0 1 389.521 3.262 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC001598528936 992752465 /nfs/dbraw/zinc/75/24/65/992752465.db2.gz POVMMCJSSURMTP-VQTJNVASSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001591556671 992755715 /nfs/dbraw/zinc/75/57/15/992755715.db2.gz MZCUSKBKKRMMLD-DENIHFKCSA-N 0 1 387.524 3.313 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591556880 992757512 /nfs/dbraw/zinc/75/75/12/992757512.db2.gz ZDBLUKDQZFSPMU-UHFFFAOYSA-N 0 1 375.494 3.286 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])C2CCCC2)cc1F ZINC001591560735 992757837 /nfs/dbraw/zinc/75/78/37/992757837.db2.gz HBGPQFKBUYOEME-UHFFFAOYSA-N 0 1 379.476 3.328 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1F ZINC001591560772 992758999 /nfs/dbraw/zinc/75/89/99/992758999.db2.gz JSTULHYUTCSTPU-CQSZACIVSA-N 0 1 379.476 3.327 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1F ZINC001591560933 992760780 /nfs/dbraw/zinc/76/07/80/992760780.db2.gz SQSKNCHEGDHEFH-INIZCTEOSA-N 0 1 379.476 3.328 20 0 GGADMN CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591561485 992765017 /nfs/dbraw/zinc/76/50/17/992765017.db2.gz VPCIBRONEUSEAD-FZMZJTMJSA-N 0 1 394.340 3.320 20 0 GGADMN C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001598530268 992769960 /nfs/dbraw/zinc/76/99/60/992769960.db2.gz SAKMMVXIWCQKHD-UHFFFAOYSA-N 0 1 391.471 3.402 20 0 GGADMN CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001591573409 992776657 /nfs/dbraw/zinc/77/66/57/992776657.db2.gz CSASXWZUNYLOKT-QGZVFWFLSA-N 0 1 382.382 3.354 20 0 GGADMN C[N@H+](Cc1ccnc2c(C(=O)[O-])cccc12)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001598531420 992785738 /nfs/dbraw/zinc/78/57/38/992785738.db2.gz POHGAGLOYGYHKF-OAHLLOKOSA-N 0 1 385.464 3.374 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001591584365 992792750 /nfs/dbraw/zinc/79/27/50/992792750.db2.gz QYHZJWSWOVMWAW-UHFFFAOYSA-N 0 1 386.496 3.293 20 0 GGADMN C[N@H+](Cc1csc(C(=O)[O-])c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC001598536495 992846048 /nfs/dbraw/zinc/84/60/48/992846048.db2.gz ZCGIAFFQEVDWKX-GFCCVEGCSA-N 0 1 389.395 3.337 20 0 GGADMN C[N@@H+](Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(C)(C)CC(=O)[O-] ZINC001598537375 992856157 /nfs/dbraw/zinc/85/61/57/992856157.db2.gz SHSSYKXEKVIDTI-UHFFFAOYSA-N 0 1 383.514 3.121 20 0 GGADMN 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ZINC001598574837 993258970 /nfs/dbraw/zinc/25/89/70/993258970.db2.gz LTIRBQJTIJNFDE-BDJLRTHQSA-N 0 1 395.290 3.013 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NCCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598584535 993362354 /nfs/dbraw/zinc/36/23/54/993362354.db2.gz XTWPSNBISMKDSC-KDOFPFPSSA-N 0 1 399.894 3.416 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)[C@H]1c1ccc(F)cc1 ZINC001598585612 993377325 /nfs/dbraw/zinc/37/73/25/993377325.db2.gz HCCZQAPZXPNLAK-WOJBJXKFSA-N 0 1 397.450 3.037 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)[C@H]1c1ccc(F)cc1 ZINC001598585612 993377329 /nfs/dbraw/zinc/37/73/29/993377329.db2.gz HCCZQAPZXPNLAK-WOJBJXKFSA-N 0 1 397.450 3.037 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001598586754 993395546 /nfs/dbraw/zinc/39/55/46/993395546.db2.gz QUPDBQGRGLOOTR-IRXDYDNUSA-N 0 1 375.375 3.230 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001598587104 993400850 /nfs/dbraw/zinc/40/08/50/993400850.db2.gz SBEBKEWYKOOARF-UYAOXDASSA-N 0 1 383.448 3.107 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001598587333 993404155 /nfs/dbraw/zinc/40/41/55/993404155.db2.gz XJQWMKOWKRYGAP-DOTOQJQBSA-N 0 1 393.365 3.369 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001598587333 993404158 /nfs/dbraw/zinc/40/41/58/993404158.db2.gz XJQWMKOWKRYGAP-DOTOQJQBSA-N 0 1 393.365 3.369 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NCCCCCCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC001598587462 993406226 /nfs/dbraw/zinc/40/62/26/993406226.db2.gz XZKUVSFVYMMASO-FUHWJXTLSA-N 0 1 381.904 3.420 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NCCCCCCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC001598587462 993406229 /nfs/dbraw/zinc/40/62/29/993406229.db2.gz XZKUVSFVYMMASO-FUHWJXTLSA-N 0 1 381.904 3.420 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)N(CCc3ccccc3)CC(=O)[O-])c2)C1 ZINC001598591963 993447081 /nfs/dbraw/zinc/44/70/81/993447081.db2.gz BSSLOGUCRSWWTA-OAQYLSRUSA-N 0 1 380.488 3.265 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[C@@H](c4ncc(C(=O)[O-])s4)C3)c2)C1 ZINC001598592024 993448717 /nfs/dbraw/zinc/44/87/17/993448717.db2.gz CWYBBWLRQMZKQQ-IAGOWNOFSA-N 0 1 399.516 3.280 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccsc2CC(=O)[O-])[C@H]1c1cccs1 ZINC001598592335 993453437 /nfs/dbraw/zinc/45/34/37/993453437.db2.gz IIAPLJNLBOKABE-PXAZEXFGSA-N 0 1 378.519 3.250 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3nc4c(cccc4C(=O)[O-])[nH]3)c2)C1 ZINC001598593024 993463027 /nfs/dbraw/zinc/46/30/27/993463027.db2.gz HUUJVEMSQBOYON-OAHLLOKOSA-N 0 1 378.432 3.323 20 0 GGADMN C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)c2)C1 ZINC001598593024 993463032 /nfs/dbraw/zinc/46/30/32/993463032.db2.gz HUUJVEMSQBOYON-OAHLLOKOSA-N 0 1 378.432 3.323 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)c2)C1 ZINC001598593024 993463036 /nfs/dbraw/zinc/46/30/36/993463036.db2.gz HUUJVEMSQBOYON-OAHLLOKOSA-N 0 1 378.432 3.323 20 0 GGADMN C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598593386 993467877 /nfs/dbraw/zinc/46/78/77/993467877.db2.gz MMRIVZMBTSMYES-DLBZAZTESA-N 0 1 375.513 3.258 20 0 GGADMN C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598593388 993467945 /nfs/dbraw/zinc/46/79/45/993467945.db2.gz MMRIVZMBTSMYES-IAGOWNOFSA-N 0 1 375.513 3.258 20 0 GGADMN C[N@H+]1CCC[C@@H](COC(=O)C2(C(=O)[O-])CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001598593961 993476989 /nfs/dbraw/zinc/47/69/89/993476989.db2.gz SVWXMXFYHLAAPX-DZGCQCFKSA-N 0 1 385.382 3.496 20 0 GGADMN C[N@H+]1CCC[C@H](COC(=O)C2(C(=O)[O-])CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001598593963 993477116 /nfs/dbraw/zinc/47/71/16/993477116.db2.gz SVWXMXFYHLAAPX-UKRRQHHQSA-N 0 1 385.382 3.496 20 0 GGADMN C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001598594028 993478494 /nfs/dbraw/zinc/47/84/94/993478494.db2.gz PCVWVHYORPMNPU-HNNXBMFYSA-N 0 1 398.463 3.426 20 0 GGADMN 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C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1csc2ccccc21 ZINC001593061570 993569156 /nfs/dbraw/zinc/56/91/56/993569156.db2.gz BHGRCJACIUWFPU-KBPBESRZSA-N 0 1 375.494 3.153 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)cc2)CC1 ZINC001598601609 993576625 /nfs/dbraw/zinc/57/66/25/993576625.db2.gz WJHZTILPSNGASO-OFNKIYASSA-N 0 1 393.487 3.026 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)cc2)CC1 ZINC001598601658 993578747 /nfs/dbraw/zinc/57/87/47/993578747.db2.gz ZQPSZDJYSCSJQB-UHFFFAOYSA-N 0 1 385.508 3.192 20 0 GGADMN C[N@H+]1CCC[C@@H]1CSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC001598602442 993579451 /nfs/dbraw/zinc/57/94/51/993579451.db2.gz CWLDQHBZALZRGA-OAHLLOKOSA-N 0 1 389.521 3.228 20 0 GGADMN C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC001593062662 993580004 /nfs/dbraw/zinc/58/00/04/993580004.db2.gz LAEBNLKSAIFXSG-AEFFLSMTSA-N 0 1 397.475 3.198 20 0 GGADMN C[N@H+]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C[C@H](C(=O)[O-])C1 ZINC001598604261 993618558 /nfs/dbraw/zinc/61/85/58/993618558.db2.gz SBBYUHWIGKBTMH-OAHLLOKOSA-N 0 1 378.900 3.017 20 0 GGADMN C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001593072085 993628026 /nfs/dbraw/zinc/62/80/26/993628026.db2.gz NTQWZXQBCMALOT-KRZXBLKESA-N 0 1 399.535 3.149 20 0 GGADMN C[N@H+]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C[C@H](C(=O)[O-])C1 ZINC001598604769 993628400 /nfs/dbraw/zinc/62/84/00/993628400.db2.gz WLDWDXYGYZBUKF-QGZVFWFLSA-N 0 1 392.927 3.308 20 0 GGADMN COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1Cl ZINC001599589537 993659779 /nfs/dbraw/zinc/65/97/79/993659779.db2.gz JZMWIMICMSBKQF-YCPHGPKFSA-N 0 1 380.872 3.252 20 0 GGADMN C[N@H+]1CCN(C(=O)/C=C\c2cccc(-c3ccc(Cl)cc3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598606101 993660793 /nfs/dbraw/zinc/66/07/93/993660793.db2.gz TXWIQBWORNVCGW-AJWDXOCTSA-N 0 1 398.890 3.495 20 0 GGADMN 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ZINC001593089151 993705180 /nfs/dbraw/zinc/70/51/80/993705180.db2.gz SKIUPIRBWSGGMI-ZIAGYGMSSA-N 0 1 390.509 3.112 20 0 GGADMN C[C@@H](CCNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC001593089144 993705426 /nfs/dbraw/zinc/70/54/26/993705426.db2.gz SKIUPIRBWSGGMI-KBPBESRZSA-N 0 1 390.509 3.112 20 0 GGADMN C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593089381 993706899 /nfs/dbraw/zinc/70/68/99/993706899.db2.gz UUBFJDMYROYXOL-UKRRQHHQSA-N 0 1 394.541 3.246 20 0 GGADMN C[N@H+]1CCN(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609298 993735290 /nfs/dbraw/zinc/73/52/90/993735290.db2.gz RQHFGHUNNIOTOC-AWEZNQCLSA-N 0 1 389.402 3.112 20 0 GGADMN C[N@H+]1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609477 993738901 /nfs/dbraw/zinc/73/89/01/993738901.db2.gz DAMYAKQQFVGARD-HNNXBMFYSA-N 0 1 390.524 3.076 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593102218 993742682 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0 1 398.459 3.202 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC001599602536 993837249 /nfs/dbraw/zinc/83/72/49/993837249.db2.gz HCEFWYCIKAACDP-IBGZPJMESA-N 0 1 398.459 3.202 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130656 993874377 /nfs/dbraw/zinc/87/43/77/993874377.db2.gz GDJWNQAMVIQOCS-CABCVRRESA-N 0 1 391.512 3.258 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130658 993874407 /nfs/dbraw/zinc/87/44/07/993874407.db2.gz GDJWNQAMVIQOCS-HUUCEWRRSA-N 0 1 391.512 3.258 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001593130657 993874454 /nfs/dbraw/zinc/87/44/54/993874454.db2.gz GDJWNQAMVIQOCS-GJZGRUSLSA-N 0 1 391.512 3.258 20 0 GGADMN COc1ccc(OCC[N@@H+](C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001599605786 993882780 /nfs/dbraw/zinc/88/27/80/993882780.db2.gz MQZUWSGIDZIECF-UHFFFAOYSA-N 0 1 384.226 3.260 20 0 GGADMN COc1ccc(Oc2ccc(C[N@H+]3CC[C@]4(CC(C(=O)[O-])=NO4)C3)cc2)cc1 ZINC001599607929 993912067 /nfs/dbraw/zinc/91/20/67/993912067.db2.gz DIMWOOGESNWYGG-NRFANRHFSA-N 0 1 382.416 3.293 20 0 GGADMN COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cc2)cc1 ZINC001599609009 993925763 /nfs/dbraw/zinc/92/57/63/993925763.db2.gz VQMRYWAZZVYOPS-MRXNPFEDSA-N 0 1 394.431 3.224 20 0 GGADMN CN1CCN(c2cc[nH+]c(NCc3ccc(-c4ccccc4C(=O)[O-])o3)c2)CC1 ZINC001598622595 994029581 /nfs/dbraw/zinc/02/95/81/994029581.db2.gz AIRFLRVRJMIFKX-UHFFFAOYSA-N 0 1 392.459 3.404 20 0 GGADMN COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c(OC)c1 ZINC001599620324 994071051 /nfs/dbraw/zinc/07/10/51/994071051.db2.gz DPYZFWDOXXUUBN-NWDGAFQWSA-N 0 1 392.477 3.450 20 0 GGADMN C[N@H+]1CC[C@H](C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001598625151 994076356 /nfs/dbraw/zinc/07/63/56/994076356.db2.gz DUVZUNBSGYHCKE-UNMCSNQZSA-N 0 1 396.487 3.239 20 0 GGADMN C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3SCCC(=O)[O-])C[C@@H]21 ZINC001598625484 994083643 /nfs/dbraw/zinc/08/36/43/994083643.db2.gz HSLDDODMHXOVEM-RISCZKNCSA-N 0 1 383.901 3.075 20 0 GGADMN C[N@H+]1CC[C@@H]2CN(C(=O)Nc3c(OCc4ccccc4)cccc3C(=O)[O-])C[C@@H]21 ZINC001598626243 994098372 /nfs/dbraw/zinc/09/83/72/994098372.db2.gz UURVNUDWBGULND-AEFFLSMTSA-N 0 1 395.459 3.132 20 0 GGADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccc(N2CCNC2=O)cc1 ZINC001593188823 994104379 /nfs/dbraw/zinc/10/43/79/994104379.db2.gz BAGQMSDXEYJBGO-GTNSWQLSSA-N 0 1 391.830 3.485 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(C(=O)[O-])o1 ZINC001593196241 994153339 /nfs/dbraw/zinc/15/33/39/994153339.db2.gz GYIVBSAAHOMIAD-CHWSQXEVSA-N 0 1 376.428 3.490 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598629999 994159471 /nfs/dbraw/zinc/15/94/71/994159471.db2.gz DAMHTOKWADWLDL-MOPGFXCFSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598629999 994159476 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OUCWULOVTDBZEI-RBUKOAKNSA-N 0 1 381.476 3.324 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598630521 994166696 /nfs/dbraw/zinc/16/66/96/994166696.db2.gz OUCWULOVTDBZEI-RBUKOAKNSA-N 0 1 381.476 3.324 20 0 GGADMN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001599628190 994179282 /nfs/dbraw/zinc/17/92/82/994179282.db2.gz GZENMKMJNJUANB-UWJYYQICSA-N 0 1 385.460 3.143 20 0 GGADMN COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])CC2 ZINC001599629004 994189291 /nfs/dbraw/zinc/18/92/91/994189291.db2.gz HAKRUKLQQVHLGA-UHFFFAOYSA-N 0 1 388.489 3.111 20 0 GGADMN COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])CC2 ZINC001599629004 994189298 /nfs/dbraw/zinc/18/92/98/994189298.db2.gz HAKRUKLQQVHLGA-UHFFFAOYSA-N 0 1 388.489 3.111 20 0 GGADMN COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)C2 ZINC001599629357 994194970 /nfs/dbraw/zinc/19/49/70/994194970.db2.gz CUTLOPYIRXGTRT-UHFFFAOYSA-N 0 1 387.480 3.156 20 0 GGADMN COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)C2 ZINC001599629357 994194973 /nfs/dbraw/zinc/19/49/73/994194973.db2.gz CUTLOPYIRXGTRT-UHFFFAOYSA-N 0 1 387.480 3.156 20 0 GGADMN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001598632635 994195082 /nfs/dbraw/zinc/19/50/82/994195082.db2.gz HJURRVMLYLDCGJ-FZMZJTMJSA-N 0 1 399.196 3.120 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)N1CCc2sccc2C1 ZINC001593208179 994220992 /nfs/dbraw/zinc/22/09/92/994220992.db2.gz GUHBVXSTRJPQED-CXAGYDPISA-N 0 1 398.484 3.053 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC001593209007 994233088 /nfs/dbraw/zinc/23/30/88/994233088.db2.gz GWNZFPZENSNOLH-DTWKUNHWSA-N 0 1 383.832 3.090 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593211510 994269645 /nfs/dbraw/zinc/26/96/45/994269645.db2.gz ZTUJOIUWAFVQQP-UAKXVISKSA-N 0 1 379.869 3.117 20 0 GGADMN COc1ccc2ccccc2c1C[N@H+](Cc1cn(CC(=O)[O-])nn1)C1CCCC1 ZINC001599634786 994270792 /nfs/dbraw/zinc/27/07/92/994270792.db2.gz HKYPODIRQLLPLL-UHFFFAOYSA-N 0 1 394.475 3.469 20 0 GGADMN COc1ccc2ccccc2c1C[N@@H+](Cc1cn(CC(=O)[O-])nn1)C1CCCC1 ZINC001599634786 994270802 /nfs/dbraw/zinc/27/08/02/994270802.db2.gz HKYPODIRQLLPLL-UHFFFAOYSA-N 0 1 394.475 3.469 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@H](C)[C@@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599635533 994282217 /nfs/dbraw/zinc/28/22/17/994282217.db2.gz RFDNGPLDBQIJPC-KXNSMUHISA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H](NC1CC[NH+](CCCC(=O)[O-])CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC001593220602 994313713 /nfs/dbraw/zinc/31/37/13/994313713.db2.gz UMVVUJBPSAGLEC-XIKOKIGWSA-N 0 1 389.323 3.334 20 0 GGADMN C[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC001593220602 994313717 /nfs/dbraw/zinc/31/37/17/994313717.db2.gz UMVVUJBPSAGLEC-XIKOKIGWSA-N 0 1 389.323 3.334 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593224374 994341000 /nfs/dbraw/zinc/34/10/00/994341000.db2.gz QEVZSUSNTGHNGR-ZYHUDNBSSA-N 0 1 379.869 3.341 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593224371 994341288 /nfs/dbraw/zinc/34/12/88/994341288.db2.gz QEVZSUSNTGHNGR-CMPLNLGQSA-N 0 1 379.869 3.341 20 0 GGADMN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598643055 994343216 /nfs/dbraw/zinc/34/32/16/994343216.db2.gz WBDFSHWTRZYJST-ZBFHGGJFSA-N 0 1 386.414 3.144 20 0 GGADMN COc1cccc(-n2nc(C)c([C@H]3COCC[N@@H+]3CC3(CC(=O)[O-])CC3)c2C)c1 ZINC001599640047 994344932 /nfs/dbraw/zinc/34/49/32/994344932.db2.gz COBAGQJTGGNVJF-LJQANCHMSA-N 0 1 399.491 3.126 20 0 GGADMN COc1cccc(-n2nc(C)c([C@H]3COCC[N@H+]3CC3(CC(=O)[O-])CC3)c2C)c1 ZINC001599640047 994344940 /nfs/dbraw/zinc/34/49/40/994344940.db2.gz COBAGQJTGGNVJF-LJQANCHMSA-N 0 1 399.491 3.126 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001599640154 994346734 /nfs/dbraw/zinc/34/67/34/994346734.db2.gz JUWFHYZPGCJSAF-UHFFFAOYSA-N 0 1 387.386 3.450 20 0 GGADMN C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ncc(C(=O)[O-])s1 ZINC001593230021 994356277 /nfs/dbraw/zinc/35/62/77/994356277.db2.gz AUNAQNOOLUBNFB-KOLCDFICSA-N 0 1 399.394 3.012 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cc(C(=O)[O-])co1 ZINC001593230803 994367568 /nfs/dbraw/zinc/36/75/68/994367568.db2.gz GDPSKIAONCDACQ-GXFFZTMASA-N 0 1 382.338 3.453 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)c1 ZINC001599647011 994439976 /nfs/dbraw/zinc/43/99/76/994439976.db2.gz LTNSDGRKAROJCV-SFHVURJKSA-N 0 1 376.840 3.435 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC[C@@H]2Sc3ccccc3NC2=O)c1 ZINC001599647350 994444089 /nfs/dbraw/zinc/44/40/89/994444089.db2.gz PICQYADYPBEWSW-ROUUACIJSA-N 0 1 386.473 3.256 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CCc2cccc3c2OC(F)(F)O3)c1 ZINC001599648100 994454744 /nfs/dbraw/zinc/45/47/44/994454744.db2.gz ZEVQNKOTMZAQST-INIZCTEOSA-N 0 1 379.359 3.317 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001599649207 994470268 /nfs/dbraw/zinc/47/02/68/994470268.db2.gz CLITVDSZCTUSJO-PBHICJAKSA-N 0 1 378.469 3.058 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001599650822 994496242 /nfs/dbraw/zinc/49/62/42/994496242.db2.gz ORUYZTCRMQTAAL-CRAIPNDOSA-N 0 1 392.496 3.448 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001599650824 994496713 /nfs/dbraw/zinc/49/67/13/994496713.db2.gz ORUYZTCRMQTAAL-QAPCUYQASA-N 0 1 392.496 3.448 20 0 GGADMN CNC(=O)c1ccc(C[N@@H+](Cc2cc(C)c(OCC(=O)[O-])c(C)c2)C2CC2)cc1 ZINC001598658092 994555054 /nfs/dbraw/zinc/55/50/54/994555054.db2.gz UJGSTGZOOKEIGV-UHFFFAOYSA-N 0 1 396.487 3.291 20 0 GGADMN CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC001598658083 994555406 /nfs/dbraw/zinc/55/54/06/994555406.db2.gz UIEOHZZVTBOTNB-UHFFFAOYSA-N 0 1 391.265 3.139 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2ncccc2Br)c1 ZINC001599654861 994562200 /nfs/dbraw/zinc/56/22/00/994562200.db2.gz AJYRSTGWXZWLCK-KRWDZBQOSA-N 0 1 379.254 3.332 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccccc3OCC(=O)[O-])CC2)c1 ZINC001599655436 994571361 /nfs/dbraw/zinc/57/13/61/994571361.db2.gz QXNWTEYWARSPJF-QGZVFWFLSA-N 0 1 384.476 3.037 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2sncc2Br)c1 ZINC001599655976 994579785 /nfs/dbraw/zinc/57/97/85/994579785.db2.gz QXQXLEWVYOZIFO-HNNXBMFYSA-N 0 1 385.283 3.394 20 0 GGADMN COc1cccc([C@@H](O)C[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)Cc2ccccc2)c1 ZINC001599661279 994660053 /nfs/dbraw/zinc/66/00/53/994660053.db2.gz YDJKREOVFDHFLY-QFIPXVFZSA-N 0 1 394.471 3.468 20 0 GGADMN COc1cccc(C2([NH2+]Cc3nc(=O)c4c(C)c(C(=O)[O-])sc4[nH]3)CCC2)c1 ZINC001599663743 994696250 /nfs/dbraw/zinc/69/62/50/994696250.db2.gz BWIJAEDLUDVJAR-UHFFFAOYSA-N 0 1 399.472 3.169 20 0 GGADMN COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666735 994742411 /nfs/dbraw/zinc/74/24/11/994742411.db2.gz IXMXVABLFBVBHH-JLTOFOAXSA-N 0 1 380.444 3.390 20 0 GGADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666735 994742425 /nfs/dbraw/zinc/74/24/25/994742425.db2.gz IXMXVABLFBVBHH-JLTOFOAXSA-N 0 1 380.444 3.390 20 0 GGADMN COc1cccc(C[NH+]2CCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)c1 ZINC001599673122 994849605 /nfs/dbraw/zinc/84/96/05/994849605.db2.gz PBTLNVILDXHJHB-LJQANCHMSA-N 0 1 392.858 3.431 20 0 GGADMN COc1nsc(C[N@@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)c1C(=O)[O-] ZINC001599673766 994859295 /nfs/dbraw/zinc/85/92/95/994859295.db2.gz UOCQPCKFXMLAPJ-HNNXBMFYSA-N 0 1 392.477 3.040 20 0 GGADMN COc1nsc(C[N@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)c1C(=O)[O-] ZINC001599673766 994859299 /nfs/dbraw/zinc/85/92/99/994859299.db2.gz UOCQPCKFXMLAPJ-HNNXBMFYSA-N 0 1 392.477 3.040 20 0 GGADMN COc1cccc(COc2ccc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C(=O)[O-])cc2)c1 ZINC001599677197 994917018 /nfs/dbraw/zinc/91/70/18/994917018.db2.gz UDBZQALWZDPDDY-LEWJYISDSA-N 0 1 385.460 3.338 20 0 GGADMN COC(=O)C(C)(C)CC[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001598682595 994953479 /nfs/dbraw/zinc/95/34/79/994953479.db2.gz CJLWWFQSHPPGNL-UHFFFAOYSA-N 0 1 386.286 3.315 20 0 GGADMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598682799 994957016 /nfs/dbraw/zinc/95/70/16/994957016.db2.gz HBDUJFYILGPCOO-CYBMUJFWSA-N 0 1 390.455 3.427 20 0 GGADMN COc1cccc(Nc2ccccc2C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c1 ZINC001599680232 994967879 /nfs/dbraw/zinc/96/78/79/994967879.db2.gz HMIOPTLUOQDBCU-MRXNPFEDSA-N 0 1 397.475 3.060 20 0 GGADMN C[C@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593359988 995020937 /nfs/dbraw/zinc/02/09/37/995020937.db2.gz MDPUPGYATATXMT-DARAHFNDSA-N 0 1 377.460 3.160 20 0 GGADMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001598688790 995032194 /nfs/dbraw/zinc/03/21/94/995032194.db2.gz IOLUPNLNWBJNFR-IAGOWNOFSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001598690665 995060758 /nfs/dbraw/zinc/06/07/58/995060758.db2.gz OPOWVPBMLAQHLA-IAGOWNOFSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC001598691483 995073760 /nfs/dbraw/zinc/07/37/60/995073760.db2.gz XWAHZDNCGZKOTA-IRXDYDNUSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC001598691478 995073823 /nfs/dbraw/zinc/07/38/23/995073823.db2.gz XWAHZDNCGZKOTA-DLBZAZTESA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(C(=O)[O-])c1 ZINC001598706139 995289227 /nfs/dbraw/zinc/28/92/27/995289227.db2.gz OIQTZVQGSLNRAG-VBKZILBWSA-N 0 1 393.443 3.444 20 0 GGADMN COC(=O)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C(=O)[O-])c1 ZINC001598706922 995298318 /nfs/dbraw/zinc/29/83/18/995298318.db2.gz AJOQZBYEZLJEHD-ORYQWCPZSA-N 0 1 396.487 3.099 20 0 GGADMN C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593450747 995345531 /nfs/dbraw/zinc/34/55/31/995345531.db2.gz LZIMFALPKAJMRA-HZSPNIEDSA-N 0 1 394.537 3.135 20 0 GGADMN C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593450747 995345536 /nfs/dbraw/zinc/34/55/36/995345536.db2.gz LZIMFALPKAJMRA-HZSPNIEDSA-N 0 1 394.537 3.135 20 0 GGADMN C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593450749 995345589 /nfs/dbraw/zinc/34/55/89/995345589.db2.gz LZIMFALPKAJMRA-MELADBBJSA-N 0 1 394.537 3.135 20 0 GGADMN C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593450749 995345592 /nfs/dbraw/zinc/34/55/92/995345592.db2.gz LZIMFALPKAJMRA-MELADBBJSA-N 0 1 394.537 3.135 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598710970 995348538 /nfs/dbraw/zinc/34/85/38/995348538.db2.gz CPTHOESSHGKQSR-RCCFBDPRSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598710970 995348542 /nfs/dbraw/zinc/34/85/42/995348542.db2.gz CPTHOESSHGKQSR-RCCFBDPRSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001598712774 995368125 /nfs/dbraw/zinc/36/81/25/995368125.db2.gz MMDLYZNUPFIYTO-KSSFIOAISA-N 0 1 388.489 3.039 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001598712888 995368536 /nfs/dbraw/zinc/36/85/36/995368536.db2.gz NVHPVWLMFGWEIK-HKUYNNGSSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715383 995400016 /nfs/dbraw/zinc/40/00/16/995400016.db2.gz FJNJZMIWYPYZHM-JZXOWHBKSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715383 995400023 /nfs/dbraw/zinc/40/00/23/995400023.db2.gz FJNJZMIWYPYZHM-JZXOWHBKSA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715548 995402471 /nfs/dbraw/zinc/40/24/71/995402471.db2.gz JHCPCTKNKUXHJG-KSZLIROESA-N 0 1 389.835 3.060 20 0 GGADMN COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001598715548 995402476 /nfs/dbraw/zinc/40/24/76/995402476.db2.gz JHCPCTKNKUXHJG-KSZLIROESA-N 0 1 389.835 3.060 20 0 GGADMN C[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccc(C(=O)[O-])o1 ZINC001593599117 995745747 /nfs/dbraw/zinc/74/57/47/995745747.db2.gz CMLZUQSJDXXKKO-SECBINFHSA-N 0 1 377.303 3.414 20 0 GGADMN C[C@H](OC[C@H](O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001593604212 995775489 /nfs/dbraw/zinc/77/54/89/995775489.db2.gz NFAUIUNWNWZTPI-SCLBCKFNSA-N 0 1 378.856 3.004 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1)C(=O)[O-] ZINC001593614911 995827533 /nfs/dbraw/zinc/82/75/33/995827533.db2.gz DKGWHVAUGXHOHH-OYHNWAKOSA-N 0 1 381.428 3.148 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615197 995829181 /nfs/dbraw/zinc/82/91/81/995829181.db2.gz FQPGJRLJXHNTRN-MTCRFPMVSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H](Oc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615197 995829185 /nfs/dbraw/zinc/82/91/85/995829185.db2.gz FQPGJRLJXHNTRN-MTCRFPMVSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC001593615302 995831780 /nfs/dbraw/zinc/83/17/80/995831780.db2.gz JACNKUGOJNNLFA-OWCLPIDISA-N 0 1 392.496 3.368 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC001593615302 995831783 /nfs/dbraw/zinc/83/17/83/995831783.db2.gz JACNKUGOJNNLFA-OWCLPIDISA-N 0 1 392.496 3.368 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615386 995832794 /nfs/dbraw/zinc/83/27/94/995832794.db2.gz JBYRENDJCRBYIB-MPGHIAIKSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615422 995833236 /nfs/dbraw/zinc/83/32/36/995833236.db2.gz JUAUIMBXXHKTJF-FDDCHVKYSA-N 0 1 383.488 3.356 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1)C(=O)[O-] ZINC001593615486 995833620 /nfs/dbraw/zinc/83/36/20/995833620.db2.gz MBWDSMQHIQRLOP-WTOYTKOKSA-N 0 1 383.488 3.497 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615572 995835687 /nfs/dbraw/zinc/83/56/87/995835687.db2.gz KYEBHAXIPZEJPG-XHSDSOJGSA-N 0 1 392.496 3.368 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615572 995835690 /nfs/dbraw/zinc/83/56/90/995835690.db2.gz KYEBHAXIPZEJPG-XHSDSOJGSA-N 0 1 392.496 3.368 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615569 995836134 /nfs/dbraw/zinc/83/61/34/995836134.db2.gz KYEBHAXIPZEJPG-JYJNAYRXSA-N 0 1 392.496 3.368 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1)C(=O)[O-] ZINC001593615679 995836739 /nfs/dbraw/zinc/83/67/39/995836739.db2.gz ORURBDIFNIENDI-MDASCCDHSA-N 0 1 389.492 3.338 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1)C(=O)[O-] ZINC001593615718 995838039 /nfs/dbraw/zinc/83/80/39/995838039.db2.gz MFSQODJKTYZYOT-ZHRRBRCNSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1)C(=O)[O-] ZINC001593615716 995838216 /nfs/dbraw/zinc/83/82/16/995838216.db2.gz MFSQODJKTYZYOT-KSFYIVLOSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1F)C(=O)[O-] ZINC001593625871 995891256 /nfs/dbraw/zinc/89/12/56/995891256.db2.gz AQCCXSBQFPJNAV-UKRRQHHQSA-N 0 1 381.448 3.016 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001598776415 995934525 /nfs/dbraw/zinc/93/45/25/995934525.db2.gz KVCSHCDDTLGXSY-RBUKOAKNSA-N 0 1 383.444 3.104 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644279 995959624 /nfs/dbraw/zinc/95/96/24/995959624.db2.gz GXWAIZJBYSVBMN-AOMKIAJQSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644282 995959898 /nfs/dbraw/zinc/95/98/98/995959898.db2.gz GXWAIZJBYSVBMN-ZHRRBRCNSA-N 0 1 387.451 3.105 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779011 995962087 /nfs/dbraw/zinc/96/20/87/995962087.db2.gz QQBGOPXPQGZTAE-MFKMUULPSA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779011 995962093 /nfs/dbraw/zinc/96/20/93/995962093.db2.gz QQBGOPXPQGZTAE-MFKMUULPSA-N 0 1 379.762 3.197 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)C(=O)[O-] ZINC001593645350 995973477 /nfs/dbraw/zinc/97/34/77/995973477.db2.gz JHWJEEPWVZNVTR-QGZVFWFLSA-N 0 1 388.508 3.153 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)C(=O)[O-] ZINC001593645350 995973483 /nfs/dbraw/zinc/97/34/83/995973483.db2.gz JHWJEEPWVZNVTR-QGZVFWFLSA-N 0 1 388.508 3.153 20 0 GGADMN C[C@H](Oc1ccccc1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)C(=O)[O-] ZINC001593646002 995979101 /nfs/dbraw/zinc/97/91/01/995979101.db2.gz USZXHTFKNBJYRH-RXVVDRJESA-N 0 1 382.504 3.287 20 0 GGADMN C[C@H](Oc1ccccc1C[NH2+]Cc1cccnc1OCC(F)(F)F)C(=O)[O-] ZINC001593648779 995998797 /nfs/dbraw/zinc/99/87/97/995998797.db2.gz MQMVVNFCFIIJFI-LBPRGKRZSA-N 0 1 384.354 3.164 20 0 GGADMN C[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593661535 996038166 /nfs/dbraw/zinc/03/81/66/996038166.db2.gz FNTKNXMKRMAOBC-INIZCTEOSA-N 0 1 386.517 3.255 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598787964 996046200 /nfs/dbraw/zinc/04/62/00/996046200.db2.gz MQXQZVHUGKYLRS-JSQNDZKTSA-N 0 1 381.419 3.044 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598788480 996050563 /nfs/dbraw/zinc/05/05/63/996050563.db2.gz PRCGRICKCIWSJE-NRSFXHEJSA-N 0 1 379.884 3.419 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)C(=O)[O-] ZINC001593672857 996079945 /nfs/dbraw/zinc/07/99/45/996079945.db2.gz KPZDFMWEFYIMQG-GOEBONIOSA-N 0 1 376.522 3.104 20 0 GGADMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001598797722 996119385 /nfs/dbraw/zinc/11/93/85/996119385.db2.gz CVBFUJUTMVNCNN-MFKMUULPSA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001598797722 996119388 /nfs/dbraw/zinc/11/93/88/996119388.db2.gz CVBFUJUTMVNCNN-MFKMUULPSA-N 0 1 379.762 3.197 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696911 996152944 /nfs/dbraw/zinc/15/29/44/996152944.db2.gz BHDMZCOGZKBFTN-VBKZILBWSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696911 996152949 /nfs/dbraw/zinc/15/29/49/996152949.db2.gz BHDMZCOGZKBFTN-VBKZILBWSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(/C=C/C(=O)[O-])o2)C1=O ZINC001593697311 996155871 /nfs/dbraw/zinc/15/58/71/996155871.db2.gz IHRUPRBKCLTQOD-KQGQNIBLSA-N 0 1 386.423 3.358 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001593697431 996156522 /nfs/dbraw/zinc/15/65/22/996156522.db2.gz KSJRBWODKABVBV-HNNXBMFYSA-N 0 1 390.430 3.421 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC001593697855 996158614 /nfs/dbraw/zinc/15/86/14/996158614.db2.gz RCRLUBHVZLNYTG-UWWQBHOKSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698353 996163254 /nfs/dbraw/zinc/16/32/54/996163254.db2.gz YBIDEZXMGDBMGQ-JLTOFOAXSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698353 996163259 /nfs/dbraw/zinc/16/32/59/996163259.db2.gz YBIDEZXMGDBMGQ-JLTOFOAXSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001593698471 996164519 /nfs/dbraw/zinc/16/45/19/996164519.db2.gz YEXVVEZTMKJCBZ-SUMDDJOVSA-N 0 1 394.537 3.110 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593698473 996164729 /nfs/dbraw/zinc/16/47/29/996164729.db2.gz YEXVVEZTMKJCBZ-SZVBFZGTSA-N 0 1 394.537 3.110 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001593711066 996211283 /nfs/dbraw/zinc/21/12/83/996211283.db2.gz PLVUIYFTUBEVTC-MAUKXSAKSA-N 0 1 383.448 3.107 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001593725162 996274461 /nfs/dbraw/zinc/27/44/61/996274461.db2.gz NGTKOZMMFDOWKS-XHSDSOJGSA-N 0 1 387.480 3.175 20 0 GGADMN C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001593725648 996280699 /nfs/dbraw/zinc/28/06/99/996280699.db2.gz ZKEYHIFDQZRFQZ-TUKIKUTGSA-N 0 1 385.445 3.365 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001593726029 996285552 /nfs/dbraw/zinc/28/55/52/996285552.db2.gz YAOSTPPNZJBLSP-HIFRSBDPSA-N 0 1 393.484 3.403 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001593731393 996301499 /nfs/dbraw/zinc/30/14/99/996301499.db2.gz FUIDSOLCSKIKCI-OLZOCXBDSA-N 0 1 383.514 3.481 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001593731393 996301503 /nfs/dbraw/zinc/30/15/03/996301503.db2.gz FUIDSOLCSKIKCI-OLZOCXBDSA-N 0 1 383.514 3.481 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001593731399 996301953 /nfs/dbraw/zinc/30/19/53/996301953.db2.gz FUIDSOLCSKIKCI-QWHCGFSZSA-N 0 1 383.514 3.481 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001593731399 996301959 /nfs/dbraw/zinc/30/19/59/996301959.db2.gz FUIDSOLCSKIKCI-QWHCGFSZSA-N 0 1 383.514 3.481 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001593732396 996312133 /nfs/dbraw/zinc/31/21/33/996312133.db2.gz TTXDRUQRTBWTPM-NSHDSACASA-N 0 1 377.441 3.392 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001593732818 996315801 /nfs/dbraw/zinc/31/58/01/996315801.db2.gz ZYLXMFRAXPBGDG-LBPRGKRZSA-N 0 1 381.498 3.378 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001593732816 996315973 /nfs/dbraw/zinc/31/59/73/996315973.db2.gz ZYLXMFRAXPBGDG-GFCCVEGCSA-N 0 1 381.498 3.378 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593732993 996317420 /nfs/dbraw/zinc/31/74/20/996317420.db2.gz BLURCTSKECNURZ-KCPJHIHWSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593732993 996317422 /nfs/dbraw/zinc/31/74/22/996317422.db2.gz BLURCTSKECNURZ-KCPJHIHWSA-N 0 1 376.254 3.100 20 0 GGADMN C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001593733540 996318606 /nfs/dbraw/zinc/31/86/06/996318606.db2.gz HHTNBGWAGAUUMW-MDASCCDHSA-N 0 1 393.443 3.227 20 0 GGADMN COC(=O)[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001598825354 996375777 /nfs/dbraw/zinc/37/57/77/996375777.db2.gz CLEWTWCJNSPWPO-NEPJUHHUSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001598825354 996375782 /nfs/dbraw/zinc/37/57/82/996375782.db2.gz CLEWTWCJNSPWPO-NEPJUHHUSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)Cc2ccccc21 ZINC001598826788 996391636 /nfs/dbraw/zinc/39/16/36/996391636.db2.gz IPFOPFOOTNLZSJ-IBGZPJMESA-N 0 1 376.412 3.205 20 0 GGADMN 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C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC001593776223 996476091 /nfs/dbraw/zinc/47/60/91/996476091.db2.gz KFVXBAZQELLVPQ-AWEZNQCLSA-N 0 1 377.197 3.117 20 0 GGADMN COC(=O)/C=C\c1ccc(OCC[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001598835559 996481134 /nfs/dbraw/zinc/48/11/34/996481134.db2.gz ZXGFCAFHKBYYLA-NHNJRYNSSA-N 0 1 395.455 3.052 20 0 GGADMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])C1 ZINC001593816326 996554456 /nfs/dbraw/zinc/55/44/56/996554456.db2.gz TUNALBVSTNKXGD-HSZRJFAPSA-N 0 1 389.455 3.297 20 0 GGADMN COC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598848072 996581282 /nfs/dbraw/zinc/58/12/82/996581282.db2.gz GPBFCFXYAHWHAQ-BLLLJJGKSA-N 0 1 384.270 3.240 20 0 GGADMN CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC001593837736 996596147 /nfs/dbraw/zinc/59/61/47/996596147.db2.gz KHSLLFCWZWBVGL-MRXNPFEDSA-N 0 1 396.413 3.192 20 0 GGADMN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CC[N@H+]1CCc1cn(CC(=O)[O-])nn1 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YPNYFCWAZODCSK-QGZVFWFLSA-N 0 1 376.840 3.262 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001599380828 996839667 /nfs/dbraw/zinc/83/96/67/996839667.db2.gz NEWDGQHXXOKWKA-RBUKOAKNSA-N 0 1 385.460 3.279 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC001599075571 996853046 /nfs/dbraw/zinc/85/30/46/996853046.db2.gz AQFMCRWXXXXPNG-ABKXIKBNSA-N 0 1 386.235 3.280 20 0 GGADMN COCc1c(C)cc(C)c(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1C ZINC001599278567 996854063 /nfs/dbraw/zinc/85/40/63/996854063.db2.gz OJBXOYASZVCGOW-QFIPXVFZSA-N 0 1 375.509 3.340 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001599381402 996859046 /nfs/dbraw/zinc/85/90/46/996859046.db2.gz WDAUOTUKMFVCAN-FUHWJXTLSA-N 0 1 387.476 3.443 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001599381401 996859119 /nfs/dbraw/zinc/85/91/19/996859119.db2.gz WDAUOTUKMFVCAN-AEFFLSMTSA-N 0 1 387.476 3.443 20 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GGADMN COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407828 997360496 /nfs/dbraw/zinc/36/04/96/997360496.db2.gz QZKRLMOLDJRONM-GOEBONIOSA-N 0 1 389.448 3.158 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407829 997360928 /nfs/dbraw/zinc/36/09/28/997360928.db2.gz QZKRLMOLDJRONM-HOCLYGCPSA-N 0 1 389.448 3.158 20 0 GGADMN COc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(Br)cc1C(=O)[O-] ZINC001599407882 997361193 /nfs/dbraw/zinc/36/11/93/997361193.db2.gz UDEAMVIJBHFAPU-AWEZNQCLSA-N 0 1 376.197 3.387 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(Br)cc1C(=O)[O-] ZINC001599407985 997363910 /nfs/dbraw/zinc/36/39/10/997363910.db2.gz YQLFELIOSCWMLO-DAXOMENPSA-N 0 1 398.297 3.281 20 0 GGADMN C[C@@]1(CCC(=O)[O-])NC(=O)N(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)C1=O ZINC001594000911 997366235 /nfs/dbraw/zinc/36/62/35/997366235.db2.gz AMTLUCZJRQZPDM-AVRDEDQJSA-N 0 1 395.459 3.110 20 0 GGADMN 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COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C(C)(C)CC(=O)[O-])cc1 ZINC001599517180 997410693 /nfs/dbraw/zinc/41/06/93/997410693.db2.gz RRKUQACPAFVYGN-MRXNPFEDSA-N 0 1 394.512 3.489 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](CC(C)C)CC(C)(C)C ZINC001598914510 997434128 /nfs/dbraw/zinc/43/41/28/997434128.db2.gz UMXFMPSBXKXXSY-UHFFFAOYSA-N 0 1 398.525 3.484 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001598914610 997435497 /nfs/dbraw/zinc/43/54/97/997435497.db2.gz ZBCRXFLOTPVHDH-UHFFFAOYSA-N 0 1 382.482 3.134 20 0 GGADMN COc1cc(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC001599412334 997444568 /nfs/dbraw/zinc/44/45/68/997444568.db2.gz RYUJJRBGVGZEJT-MRXNPFEDSA-N 0 1 399.491 3.103 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001598915256 997448738 /nfs/dbraw/zinc/44/87/38/997448738.db2.gz CCKDELGJUOTFEU-LBPRGKRZSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001598915256 997448741 /nfs/dbraw/zinc/44/87/41/997448741.db2.gz CCKDELGJUOTFEU-LBPRGKRZSA-N 0 1 396.509 3.238 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC001594013228 997478472 /nfs/dbraw/zinc/47/84/72/997478472.db2.gz PLAUGZWRGDIDKC-NRFANRHFSA-N 0 1 390.480 3.226 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001599418288 997549271 /nfs/dbraw/zinc/54/92/71/997549271.db2.gz MUAIOWJTSFPLNT-XEZPLFJOSA-N 0 1 380.872 3.171 20 0 GGADMN COc1cc(CNc2ccc(C(=O)[O-])c(C)[nH+]2)cc(Br)c1OC ZINC001599418424 997551269 /nfs/dbraw/zinc/55/12/69/997551269.db2.gz IMRJUOCDJLYXML-UHFFFAOYSA-N 0 1 381.226 3.480 20 0 GGADMN COc1ccc([C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C(=O)[O-])cc1O ZINC001599527767 997591961 /nfs/dbraw/zinc/59/19/61/997591961.db2.gz PGEWEUBFSRFHCY-JUXOCIIHSA-N 0 1 396.487 3.484 20 0 GGADMN COc1ccc([C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C(=O)[O-])cc1O ZINC001599527767 997591971 /nfs/dbraw/zinc/59/19/71/997591971.db2.gz PGEWEUBFSRFHCY-JUXOCIIHSA-N 0 1 396.487 3.484 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C(=O)[O-])cc1 ZINC001599528040 997597842 /nfs/dbraw/zinc/59/78/42/997597842.db2.gz SOMLJIABKDBZMA-CYBMUJFWSA-N 0 1 385.645 3.422 20 0 GGADMN CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2nc3ccc(Br)cc3o2)C(=O)[O-])C1 ZINC001599115051 997637148 /nfs/dbraw/zinc/63/71/48/997637148.db2.gz WIUIEODKEVGUHZ-KANYHAFZSA-N 0 1 397.269 3.338 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2cccc(OC3CC3)c2F)C(=O)[O-])c(OC)c1 ZINC001599530527 997642691 /nfs/dbraw/zinc/64/26/91/997642691.db2.gz DKQUVPIOOJVCBW-IBGZPJMESA-N 0 1 375.396 3.300 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2Br)C(=O)[O-])cc1O ZINC001599530625 997644787 /nfs/dbraw/zinc/64/47/87/997644787.db2.gz DMAMBJZADLZHEJ-OAHLLOKOSA-N 0 1 384.201 3.218 20 0 GGADMN C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001594041248 997657940 /nfs/dbraw/zinc/65/79/40/997657940.db2.gz CXUZKSWTCMIIGD-FQEVSTJZSA-N 0 1 378.900 3.060 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2ncc(Br)cc2Cl)C(=O)[O-])cc1 ZINC001599531451 997660427 /nfs/dbraw/zinc/66/04/27/997660427.db2.gz PRWDJPIPIRMKND-CQSZACIVSA-N 0 1 385.645 3.422 20 0 GGADMN COc1cc(F)cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)c1 ZINC001599426625 997686789 /nfs/dbraw/zinc/68/67/89/997686789.db2.gz VRIGFMSOKJWRTP-CXJKMVGQSA-N 0 1 393.455 3.089 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(c2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC001599533505 997701341 /nfs/dbraw/zinc/70/13/41/997701341.db2.gz QEDBCOXXKSVHOR-UHFFFAOYSA-N 0 1 381.885 3.134 20 0 GGADMN COCCCC[N@@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599223498 997714772 /nfs/dbraw/zinc/71/47/72/997714772.db2.gz MLCYBAGUPMZXJY-UHFFFAOYSA-N 0 1 395.459 3.462 20 0 GGADMN COCCCC[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599223498 997714779 /nfs/dbraw/zinc/71/47/79/997714779.db2.gz MLCYBAGUPMZXJY-UHFFFAOYSA-N 0 1 395.459 3.462 20 0 GGADMN COc1c(Br)cccc1C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001599329067 997716238 /nfs/dbraw/zinc/71/62/38/997716238.db2.gz UTIZXWLAQPQIRH-MRXNPFEDSA-N 0 1 376.250 3.469 20 0 GGADMN COc1c(Br)cccc1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001599329067 997716247 /nfs/dbraw/zinc/71/62/47/997716247.db2.gz UTIZXWLAQPQIRH-MRXNPFEDSA-N 0 1 376.250 3.469 20 0 GGADMN COc1c(Br)cccc1C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001599329066 997716381 /nfs/dbraw/zinc/71/63/81/997716381.db2.gz UTIZXWLAQPQIRH-INIZCTEOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1c(Br)cccc1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001599329066 997716387 /nfs/dbraw/zinc/71/63/87/997716387.db2.gz UTIZXWLAQPQIRH-INIZCTEOSA-N 0 1 376.250 3.469 20 0 GGADMN COC(=O)c1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc(C(=O)[O-])c1 ZINC001598930216 997736373 /nfs/dbraw/zinc/73/63/73/997736373.db2.gz JYGGGPCOMUMQQA-HNNXBMFYSA-N 0 1 398.242 3.301 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC001599535516 997738447 /nfs/dbraw/zinc/73/84/47/997738447.db2.gz WHPJIDJFECSLEQ-LJQANCHMSA-N 0 1 382.460 3.347 20 0 GGADMN COC1CCN(C2(C[NH2+]Cc3ccccc3O[C@H](C)C(=O)[O-])CCCC2)CC1 ZINC001599121506 997746928 /nfs/dbraw/zinc/74/69/28/997746928.db2.gz AWAVCEODHAJEKP-QGZVFWFLSA-N 0 1 390.524 3.052 20 0 GGADMN COC1CC[NH+](C2(CNCc3cc(C(=O)[O-])c4n3CCCC4)CCCC2)CC1 ZINC001599122176 997758478 /nfs/dbraw/zinc/75/84/78/997758478.db2.gz IBEGLLSCIXBDSC-UHFFFAOYSA-N 0 1 389.540 3.036 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc(C(=O)[O-])c1 ZINC001598931501 997766125 /nfs/dbraw/zinc/76/61/25/997766125.db2.gz NCAHPUXVKJAPMB-IBGZPJMESA-N 0 1 396.443 3.097 20 0 GGADMN C[C@@]1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594053208 997767969 /nfs/dbraw/zinc/76/79/69/997767969.db2.gz QMZARAQYPZNYII-HXUWFJFHSA-N 0 1 389.402 3.449 20 0 GGADMN C[C@]1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594053204 997767999 /nfs/dbraw/zinc/76/79/99/997767999.db2.gz QMZARAQYPZNYII-FQEVSTJZSA-N 0 1 389.402 3.449 20 0 GGADMN COc1cc(NC(=O)CC[N@@H+](C2CC2)C2(C(=O)[O-])CCC2)c(OC)cc1Cl ZINC001599431747 997770626 /nfs/dbraw/zinc/77/06/26/997770626.db2.gz TVOLFZJLRDZTTH-UHFFFAOYSA-N 0 1 396.871 3.158 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc(C(=O)[O-])c1 ZINC001598931796 997770797 /nfs/dbraw/zinc/77/07/97/997770797.db2.gz ACGZWLFLCGNSGZ-ZVEHZALQSA-N 0 1 389.492 3.323 20 0 GGADMN COC(=O)c1cc(C[NH+]2CCC(c3ncc(C(=O)[O-])s3)CC2)[nH]c1C(C)C ZINC001598931771 997771724 /nfs/dbraw/zinc/77/17/24/997771724.db2.gz POEUFEPOYCXVSZ-UHFFFAOYSA-N 0 1 391.493 3.459 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cc(C(=O)[O-])c1 ZINC001598931842 997773163 /nfs/dbraw/zinc/77/31/63/997773163.db2.gz BBKIOGIMXHVUOY-OAHLLOKOSA-N 0 1 385.464 3.398 20 0 GGADMN COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc(C(=O)[O-])c1 ZINC001598931842 997773166 /nfs/dbraw/zinc/77/31/66/997773166.db2.gz BBKIOGIMXHVUOY-OAHLLOKOSA-N 0 1 385.464 3.398 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc(C(=O)[O-])c1 ZINC001598931842 997773178 /nfs/dbraw/zinc/77/31/78/997773178.db2.gz BBKIOGIMXHVUOY-OAHLLOKOSA-N 0 1 385.464 3.398 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)c3cc(C(=O)[O-])ccn3)CCC[N@H+]2C)cc1 ZINC001599537709 997773621 /nfs/dbraw/zinc/77/36/21/997773621.db2.gz RQKPTSYTKWWMFU-LPHOPBHVSA-N 0 1 384.432 3.028 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c(C)s1 ZINC001598931827 997773817 /nfs/dbraw/zinc/77/38/17/997773817.db2.gz APUMTQQCGQBKDT-NSHDSACASA-N 0 1 380.491 3.377 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(C(=O)[O-])c1 ZINC001598931923 997775359 /nfs/dbraw/zinc/77/53/59/997775359.db2.gz CUKJPRSTKUIVJQ-HNNXBMFYSA-N 0 1 393.443 3.427 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)ccc1C ZINC001598932071 997780023 /nfs/dbraw/zinc/78/00/23/997780023.db2.gz FABAZUOJCFLQRG-INIZCTEOSA-N 0 1 382.460 3.191 20 0 GGADMN COc1ccc([C@H]2[C@@H](COC(=O)Cc3cccc(C(=O)[O-])c3)CC[N@H+]2C)cc1 ZINC001599538063 997780937 /nfs/dbraw/zinc/78/09/37/997780937.db2.gz VHZYKOAJRUQHGL-NQIIRXRSSA-N 0 1 383.444 3.172 20 0 GGADMN COc1ccc([C@@H]2[C@@H](COC(=O)Cc3cccc(C(=O)[O-])c3)CC[N@H+]2C)cc1 ZINC001599538066 997781308 /nfs/dbraw/zinc/78/13/08/997781308.db2.gz VHZYKOAJRUQHGL-WIYYLYMNSA-N 0 1 383.444 3.172 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)Cc3cccc(C(=O)[O-])c3)CC[N@H+]2C)cc1 ZINC001599538062 997781787 /nfs/dbraw/zinc/78/17/87/997781787.db2.gz VHZYKOAJRUQHGL-GHTZIAJQSA-N 0 1 383.444 3.172 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932208 997783128 /nfs/dbraw/zinc/78/31/28/997783128.db2.gz GNMGWBNIXFYALS-IAGOWNOFSA-N 0 1 389.473 3.321 20 0 GGADMN COC(=O)c1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598932304 997786686 /nfs/dbraw/zinc/78/66/86/997786686.db2.gz STTNGVDPMCZGGV-UHFFFAOYSA-N 0 1 399.418 3.405 20 0 GGADMN COc1cc(NC(=O)C[N@H+](CC(=O)[O-])C2CCCCC2)c(OC)cc1Cl ZINC001599432677 997786697 /nfs/dbraw/zinc/78/66/97/997786697.db2.gz HYXVYQCCKVPKNV-UHFFFAOYSA-N 0 1 384.860 3.015 20 0 GGADMN COc1cc(NC(=O)C[N@@H+](CC(=O)[O-])C2CCCCC2)c(OC)cc1Cl ZINC001599432677 997786705 /nfs/dbraw/zinc/78/67/05/997786705.db2.gz HYXVYQCCKVPKNV-UHFFFAOYSA-N 0 1 384.860 3.015 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1 ZINC001598932501 997793519 /nfs/dbraw/zinc/79/35/19/997793519.db2.gz JKMGSMJOUJXDDG-QRVBRYPASA-N 0 1 375.465 3.077 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001599539071 997800128 /nfs/dbraw/zinc/80/01/28/997800128.db2.gz MUMZHNMVAGRPOA-FFZOFVMBSA-N 0 1 388.508 3.324 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001599539071 997800138 /nfs/dbraw/zinc/80/01/38/997800138.db2.gz MUMZHNMVAGRPOA-FFZOFVMBSA-N 0 1 388.508 3.324 20 0 GGADMN COc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C(=O)[O-])cc1OC ZINC001599433479 997801564 /nfs/dbraw/zinc/80/15/64/997801564.db2.gz UHXUBJVQXSWNCW-KRWDZBQOSA-N 0 1 392.839 3.297 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCN(c3ccc(C)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598932894 997801521 /nfs/dbraw/zinc/80/15/21/997801521.db2.gz QPBUYHNLJXZAIH-UHFFFAOYSA-N 0 1 382.460 3.192 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2OC)cc(C(=O)[O-])c1 ZINC001598933127 997807110 /nfs/dbraw/zinc/80/71/10/997807110.db2.gz QUGGGBPGZJYPFF-IBGZPJMESA-N 0 1 383.444 3.387 20 0 GGADMN COc1cc(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599434199 997813559 /nfs/dbraw/zinc/81/35/59/997813559.db2.gz CQLMECSTPNXAAF-SFHVURJKSA-N 0 1 397.475 3.174 20 0 GGADMN COC(=O)c1cc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc(C(=O)[O-])c1 ZINC001598933520 997817494 /nfs/dbraw/zinc/81/74/94/997817494.db2.gz ZFIOTEUDJWEHMI-UHFFFAOYSA-N 0 1 382.460 3.110 20 0 GGADMN COc1cc(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(OC)cc1Cl ZINC001599434763 997823864 /nfs/dbraw/zinc/82/38/64/997823864.db2.gz DBYNWEZMQACLFZ-LBPRGKRZSA-N 0 1 398.887 3.119 20 0 GGADMN COc1cc(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599435590 997839552 /nfs/dbraw/zinc/83/95/52/997839552.db2.gz RILPBWDGDTWPRD-KRWDZBQOSA-N 0 1 383.448 3.132 20 0 GGADMN CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)[C@@H](C)C1 ZINC001599125652 997842871 /nfs/dbraw/zinc/84/28/71/997842871.db2.gz QHMIIZILLSMXTF-FRRDWIJNSA-N 0 1 380.510 3.009 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)[C@@H](C)C1 ZINC001599125652 997842879 /nfs/dbraw/zinc/84/28/79/997842879.db2.gz QHMIIZILLSMXTF-FRRDWIJNSA-N 0 1 380.510 3.009 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC001599230736 997847347 /nfs/dbraw/zinc/84/73/47/997847347.db2.gz FTEVAPZNMKZOQV-UHFFFAOYSA-N 0 1 391.512 3.296 20 0 GGADMN COc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)ccc1C(=O)[O-] ZINC001599437752 997877992 /nfs/dbraw/zinc/87/79/92/997877992.db2.gz KXSJJYDSNZEUAR-INIZCTEOSA-N 0 1 375.469 3.312 20 0 GGADMN C[C@@]1(O)CCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001594067035 997888699 /nfs/dbraw/zinc/88/86/99/997888699.db2.gz TWPSZVQHWPMVBK-QGZVFWFLSA-N 0 1 384.263 3.224 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@@H]1CC[C@H](C)C1 ZINC001599233156 997899197 /nfs/dbraw/zinc/89/91/97/997899197.db2.gz DVMQGFOOQMGWEA-QWHCGFSZSA-N 0 1 380.510 3.011 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@H]1CC[C@H](C)C1 ZINC001599233312 997902014 /nfs/dbraw/zinc/90/20/14/997902014.db2.gz IOBXSFCYOXAHOX-KBPBESRZSA-N 0 1 394.537 3.401 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C1CCCC1 ZINC001599233749 997909344 /nfs/dbraw/zinc/90/93/44/997909344.db2.gz YKOPYXXLJMRHQN-ZDUSSCGKSA-N 0 1 394.537 3.401 20 0 GGADMN COc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1C(=O)[O-] ZINC001599340326 997912026 /nfs/dbraw/zinc/91/20/26/997912026.db2.gz JEUIAIYRSLFCSF-MAUKXSAKSA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1C(=O)[O-] ZINC001599340701 997917152 /nfs/dbraw/zinc/91/71/52/997917152.db2.gz MMKYZEPJYUZCKW-YOEHRIQHSA-N 0 1 383.448 3.178 20 0 GGADMN COc1c(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341173 997924403 /nfs/dbraw/zinc/92/44/03/997924403.db2.gz PYIDWRWIUYJPON-GOEBONIOSA-N 0 1 383.448 3.178 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCCC3(CCCC3)CC2)cc(C(=O)[O-])c1 ZINC001598939289 997933311 /nfs/dbraw/zinc/93/33/11/997933311.db2.gz LSPIPJQASADKIO-UHFFFAOYSA-N 0 1 388.464 3.156 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)CC2)cc(C(=O)[O-])c1 ZINC001598939559 997939393 /nfs/dbraw/zinc/93/93/93/997939393.db2.gz AHGIGYOPIBPLND-HNNXBMFYSA-N 0 1 388.464 3.012 20 0 GGADMN CO[C@@H]1C[N@@H+](CCCCOc2ccc(Br)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599130833 997939659 /nfs/dbraw/zinc/93/96/59/997939659.db2.gz AFRLSGBGLHESLO-RDJZCZTQSA-N 0 1 386.286 3.172 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+](Cc2ccccc2C)C2CC2)cc(C(=O)[O-])c1 ZINC001598939667 997941702 /nfs/dbraw/zinc/94/17/02/997941702.db2.gz FBLJYARIEVBMMD-UHFFFAOYSA-N 0 1 396.443 3.083 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](Cc2ccccc2C)C2CC2)cc(C(=O)[O-])c1 ZINC001598939667 997941723 /nfs/dbraw/zinc/94/17/23/997941723.db2.gz FBLJYARIEVBMMD-UHFFFAOYSA-N 0 1 396.443 3.083 20 0 GGADMN CO[C@@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599130922 997942285 /nfs/dbraw/zinc/94/22/85/997942285.db2.gz AYFWXIHUGIIUPB-QFBILLFUSA-N 0 1 375.856 3.169 20 0 GGADMN CO[C@@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599130922 997942291 /nfs/dbraw/zinc/94/22/91/997942291.db2.gz AYFWXIHUGIIUPB-QFBILLFUSA-N 0 1 375.856 3.169 20 0 GGADMN CO[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@@](C)(C(=O)[O-])C1 ZINC001599131217 997949505 /nfs/dbraw/zinc/94/95/05/997949505.db2.gz CIHHAPCDGFMKFT-YLJYHZDGSA-N 0 1 391.899 3.266 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940301 997955832 /nfs/dbraw/zinc/95/58/32/997955832.db2.gz RPWVRDHVBKUEGI-ZIAGYGMSSA-N 0 1 396.443 3.118 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001598940301 997955841 /nfs/dbraw/zinc/95/58/41/997955841.db2.gz RPWVRDHVBKUEGI-ZIAGYGMSSA-N 0 1 396.443 3.118 20 0 GGADMN COCC[N@H+](CCCc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599236625 997957041 /nfs/dbraw/zinc/95/70/41/997957041.db2.gz NENZMGYZHWQXOJ-UHFFFAOYSA-N 0 1 395.459 3.115 20 0 GGADMN COCC[N@@H+](CCCc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599236625 997957051 /nfs/dbraw/zinc/95/70/51/997957051.db2.gz NENZMGYZHWQXOJ-UHFFFAOYSA-N 0 1 395.459 3.115 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001598940493 997960218 /nfs/dbraw/zinc/96/02/18/997960218.db2.gz NDQWGNIJGRSIOK-AWEZNQCLSA-N 0 1 384.432 3.111 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@@H+]([C@@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443627 997971158 /nfs/dbraw/zinc/97/11/58/997971158.db2.gz VULIWLOIFVALNJ-QWHCGFSZSA-N 0 1 375.425 3.028 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@H+]([C@@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443627 997971169 /nfs/dbraw/zinc/97/11/69/997971169.db2.gz VULIWLOIFVALNJ-QWHCGFSZSA-N 0 1 375.425 3.028 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@]2(C)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598941132 997974295 /nfs/dbraw/zinc/97/42/95/997974295.db2.gz WCMINSIEPYVNNR-OAQYLSRUSA-N 0 1 388.464 3.155 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)(C)C)cc(C(=O)[O-])c1 ZINC001598941183 997975766 /nfs/dbraw/zinc/97/57/66/997975766.db2.gz XISWJVONWSJIQZ-UHFFFAOYSA-N 0 1 398.459 3.411 20 0 GGADMN COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599444572 997985842 /nfs/dbraw/zinc/98/58/42/997985842.db2.gz MMWBPVNLHPIXCR-SNVBAGLBSA-N 0 1 377.828 3.251 20 0 GGADMN COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599444571 997986466 /nfs/dbraw/zinc/98/64/66/997986466.db2.gz MMWBPVNLHPIXCR-JTQLQIEISA-N 0 1 377.828 3.251 20 0 GGADMN COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001599238570 997993425 /nfs/dbraw/zinc/99/34/25/997993425.db2.gz NHUNJIPTGBMLBH-UHFFFAOYSA-N 0 1 385.460 3.437 20 0 GGADMN CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC001594084770 997996493 /nfs/dbraw/zinc/99/64/93/997996493.db2.gz POWAQBWPEGYVEW-UHFFFAOYSA-N 0 1 397.406 3.226 20 0 GGADMN COc1c(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)ncnc1C(=O)[O-] ZINC001599345769 998003643 /nfs/dbraw/zinc/00/36/43/998003643.db2.gz YQRREWKJMYFKMU-OAHLLOKOSA-N 0 1 390.871 3.303 20 0 GGADMN C[C@]12CN(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594087681 998019124 /nfs/dbraw/zinc/01/91/24/998019124.db2.gz KKHUDOWQUVOMSZ-DFEVRJRQSA-N 0 1 394.471 3.362 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2cc(C(=O)[O-])c(C)[nH]2)cc1OC ZINC001599347590 998036719 /nfs/dbraw/zinc/03/67/19/998036719.db2.gz FUWOIXJABFIVID-UHFFFAOYSA-N 0 1 383.242 3.091 20 0 GGADMN COc1cc(Br)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1O ZINC001599348163 998046365 /nfs/dbraw/zinc/04/63/65/998046365.db2.gz QEXIINSMPPMSRU-LBPRGKRZSA-N 0 1 386.286 3.486 20 0 GGADMN COc1cc(OC)c(C[N@@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1F ZINC001599448347 998047104 /nfs/dbraw/zinc/04/71/04/998047104.db2.gz QVEVVNQMWPGUKP-UHFFFAOYSA-N 0 1 375.396 3.108 20 0 GGADMN COc1cc(OC)c(C[N@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1F ZINC001599448347 998047118 /nfs/dbraw/zinc/04/71/18/998047118.db2.gz QVEVVNQMWPGUKP-UHFFFAOYSA-N 0 1 375.396 3.108 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2cc(C(=O)[O-])c(C)n2C)cc1OC ZINC001599348546 998052755 /nfs/dbraw/zinc/05/27/55/998052755.db2.gz TVWGWBDWVPJXGD-UHFFFAOYSA-N 0 1 397.269 3.101 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001599450725 998092018 /nfs/dbraw/zinc/09/20/18/998092018.db2.gz VCHNXIKBLGDJCC-QGZVFWFLSA-N 0 1 396.484 3.018 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)O1 ZINC001594099215 998094070 /nfs/dbraw/zinc/09/40/70/998094070.db2.gz AMBOWRJTRDGTIP-MRUHUIDDSA-N 0 1 394.512 3.151 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC001599450935 998097871 /nfs/dbraw/zinc/09/78/71/998097871.db2.gz OUHUXGPSKXWRAD-HTAPYJJXSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC001599450935 998097879 /nfs/dbraw/zinc/09/78/79/998097879.db2.gz OUHUXGPSKXWRAD-HTAPYJJXSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC001599450935 998097889 /nfs/dbraw/zinc/09/78/89/998097889.db2.gz OUHUXGPSKXWRAD-HTAPYJJXSA-N 0 1 398.503 3.283 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)O1 ZINC001594103187 998126883 /nfs/dbraw/zinc/12/68/83/998126883.db2.gz NVOIWRRGNBPDOX-JKSUJKDBSA-N 0 1 382.501 3.245 20 0 GGADMN COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cncc(C(=O)[O-])c2)cc1 ZINC001599558141 998132492 /nfs/dbraw/zinc/13/24/92/998132492.db2.gz ABVBZHMYZJGZGU-UHFFFAOYSA-N 0 1 377.444 3.428 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)O1 ZINC001594103505 998136248 /nfs/dbraw/zinc/13/62/48/998136248.db2.gz XYDTWVYAOSZVCH-MRXNPFEDSA-N 0 1 394.512 3.247 20 0 GGADMN COc1ccc(C[N@H+](CCc2ccccn2)Cc2nc(C(=O)[O-])cs2)cc1 ZINC001599558360 998138100 /nfs/dbraw/zinc/13/81/00/998138100.db2.gz GOCUZUDXUYDWEL-UHFFFAOYSA-N 0 1 383.473 3.490 20 0 GGADMN COc1ccc(C[N@@H+](CCc2ccccn2)Cc2nc(C(=O)[O-])cs2)cc1 ZINC001599558360 998138109 /nfs/dbraw/zinc/13/81/09/998138109.db2.gz GOCUZUDXUYDWEL-UHFFFAOYSA-N 0 1 383.473 3.490 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453979 998155549 /nfs/dbraw/zinc/15/55/49/998155549.db2.gz UKXDIPJNRHKHTG-GMAHTHKFSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453979 998155552 /nfs/dbraw/zinc/15/55/52/998155552.db2.gz UKXDIPJNRHKHTG-GMAHTHKFSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453979 998155559 /nfs/dbraw/zinc/15/55/59/998155559.db2.gz UKXDIPJNRHKHTG-GMAHTHKFSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc(N2CCC[N@@H+](CCc3ccccc3C(=O)[O-])CC2)c1 ZINC001599454549 998165435 /nfs/dbraw/zinc/16/54/35/998165435.db2.gz LSGMHFGCOAMSDT-UHFFFAOYSA-N 0 1 384.476 3.157 20 0 GGADMN COc1ccc(C[N@@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599560602 998185006 /nfs/dbraw/zinc/18/50/06/998185006.db2.gz NHVJEGQXZUEUEW-UHFFFAOYSA-N 0 1 393.443 3.033 20 0 GGADMN COc1ccc(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599560602 998185011 /nfs/dbraw/zinc/18/50/11/998185011.db2.gz NHVJEGQXZUEUEW-UHFFFAOYSA-N 0 1 393.443 3.033 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)cc1 ZINC001599561840 998213011 /nfs/dbraw/zinc/21/30/11/998213011.db2.gz PNELNDVUQPLFEB-UHFFFAOYSA-N 0 1 383.448 3.133 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1OC ZINC001599562969 998234008 /nfs/dbraw/zinc/23/40/08/998234008.db2.gz CQCFCJGHAGBPGM-JKSUJKDBSA-N 0 1 377.387 3.282 20 0 GGADMN COC(=O)c1ccc(Br)cc1C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598956531 998251206 /nfs/dbraw/zinc/25/12/06/998251206.db2.gz LZIUABOPRDDYAX-MRXNPFEDSA-N 0 1 392.249 3.493 20 0 GGADMN COc1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567785 998315250 /nfs/dbraw/zinc/31/52/50/998315250.db2.gz MWDCLQHGYLVXGS-YJBOKZPZSA-N 0 1 397.475 3.028 20 0 GGADMN COc1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567781 998315553 /nfs/dbraw/zinc/31/55/53/998315553.db2.gz MWDCLQHGYLVXGS-MAUKXSAKSA-N 0 1 397.475 3.028 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CCCC(C)(C)CC2)c1 ZINC001598960520 998319327 /nfs/dbraw/zinc/31/93/27/998319327.db2.gz GRZFBBBSZKKMPP-CYBMUJFWSA-N 0 1 376.453 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CCCC(C)(C)CC2)c1 ZINC001598960521 998320312 /nfs/dbraw/zinc/32/03/12/998320312.db2.gz GRZFBBBSZKKMPP-ZDUSSCGKSA-N 0 1 376.453 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1 ZINC001598960679 998323718 /nfs/dbraw/zinc/32/37/18/998323718.db2.gz KPWBCSRCKXCVBV-DZGCQCFKSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(C)C)CC2)c1 ZINC001598960871 998327534 /nfs/dbraw/zinc/32/75/34/998327534.db2.gz MZWXJFWZKBKARS-GJZGRUSLSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+](C)Cc2c(C)cccc2C)c1 ZINC001598961595 998342298 /nfs/dbraw/zinc/34/22/98/998342298.db2.gz VUYUXMBMHHTUFU-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN COCCOc1ccc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)o1 ZINC001599258296 998342501 /nfs/dbraw/zinc/34/25/01/998342501.db2.gz QAOFMMQBAHGFCH-DLBZAZTESA-N 0 1 379.840 3.258 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[NH+]2CCC(CC(C)C)CC2)c1 ZINC001598961605 998342870 /nfs/dbraw/zinc/34/28/70/998342870.db2.gz VVHHZXTUHNUIDC-CQSZACIVSA-N 0 1 390.480 3.257 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C)oc1ccccc12 ZINC001599465658 998355545 /nfs/dbraw/zinc/35/55/45/998355545.db2.gz ZICHVCRDQJZIRS-OLZOCXBDSA-N 0 1 382.416 3.328 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cnc3onc(C)c3c1)CC2 ZINC001599465915 998361025 /nfs/dbraw/zinc/36/10/25/998361025.db2.gz VJDJEHBZONYOEK-KRWDZBQOSA-N 0 1 397.431 3.123 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cnc3onc(C)c3c1)CC2 ZINC001599465915 998361036 /nfs/dbraw/zinc/36/10/36/998361036.db2.gz VJDJEHBZONYOEK-KRWDZBQOSA-N 0 1 397.431 3.123 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001599369933 998393848 /nfs/dbraw/zinc/39/38/48/998393848.db2.gz BXVIIEHCVJPIIK-MRXNPFEDSA-N 0 1 397.475 3.379 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001598965036 998401088 /nfs/dbraw/zinc/40/10/88/998401088.db2.gz GSCLBGOEGLSPRX-HIFRSBDPSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001598965387 998408270 /nfs/dbraw/zinc/40/82/70/998408270.db2.gz DODKEZBXEIRFKD-UONOGXRCSA-N 0 1 388.464 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001598965386 998408894 /nfs/dbraw/zinc/40/88/94/998408894.db2.gz DODKEZBXEIRFKD-KGLIPLIRSA-N 0 1 388.464 3.011 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001599372869 998439639 /nfs/dbraw/zinc/43/96/39/998439639.db2.gz RLFCJVSSOCXKRW-YOEHRIQHSA-N 0 1 383.448 3.178 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC001599161260 998461842 /nfs/dbraw/zinc/46/18/42/998461842.db2.gz XTKAXMMQRYRRPV-DOTOQJQBSA-N 0 1 378.513 3.318 20 0 GGADMN COc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001599577975 998477082 /nfs/dbraw/zinc/47/70/82/998477082.db2.gz ONQXRXHKDYJQAJ-OAHLLOKOSA-N 0 1 398.887 3.245 20 0 GGADMN COc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001599577975 998477092 /nfs/dbraw/zinc/47/70/92/998477092.db2.gz ONQXRXHKDYJQAJ-OAHLLOKOSA-N 0 1 398.887 3.245 20 0 GGADMN COC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001599162511 998483000 /nfs/dbraw/zinc/48/30/00/998483000.db2.gz YILDUCUPTDTBBS-YWZLYKJASA-N 0 1 382.460 3.348 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001594148984 998510809 /nfs/dbraw/zinc/51/08/09/998510809.db2.gz GOUYZNDVFXRCJS-FHLIZLRMSA-N 0 1 393.915 3.199 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001594148984 998510815 /nfs/dbraw/zinc/51/08/15/998510815.db2.gz GOUYZNDVFXRCJS-FHLIZLRMSA-N 0 1 393.915 3.199 20 0 GGADMN COc1ccc(Br)c([C@@H](C(=O)[O-])[N@@H+](C)CCc2cccnc2)c1 ZINC001599475360 998520985 /nfs/dbraw/zinc/52/09/85/998520985.db2.gz WPBVBLOSLFRRKQ-INIZCTEOSA-N 0 1 379.254 3.153 20 0 GGADMN COc1ccc(Br)c([C@H](C(=O)[O-])[N@@H+](C)CCC[C@@H]2CCOC2)c1 ZINC001599475391 998522324 /nfs/dbraw/zinc/52/23/24/998522324.db2.gz XSDJAJGYEBXVME-MLGOLLRUSA-N 0 1 386.286 3.332 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001599475579 998527349 /nfs/dbraw/zinc/52/73/49/998527349.db2.gz VNTOMKGABZZJPS-KRWDZBQOSA-N 0 1 379.254 3.332 20 0 GGADMN COc1ccc(F)c(CN2CC[NH+]([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599581586 998540319 /nfs/dbraw/zinc/54/03/19/998540319.db2.gz VIBGRIBWATZIBB-IBGZPJMESA-N 0 1 392.858 3.431 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(F)c1 ZINC001598974448 998577787 /nfs/dbraw/zinc/57/77/87/998577787.db2.gz KXTZJBPHDISRJY-CYBMUJFWSA-N 0 1 378.425 3.147 20 0 GGADMN COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CCOc2ccccc2C(=O)[O-])n1C ZINC001598974869 998583971 /nfs/dbraw/zinc/58/39/71/998583971.db2.gz VJFMWLDKOUFYRC-KRWDZBQOSA-N 0 1 386.448 3.116 20 0 GGADMN COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001598975194 998590490 /nfs/dbraw/zinc/59/04/90/998590490.db2.gz BHWSEAJOIZQWOG-DLBZAZTESA-N 0 1 389.835 3.132 20 0 GGADMN COC(=O)c1ccc(C[NH2+]Cc2ccsc2C(=O)[O-])c(Br)c1 ZINC001598975273 998591753 /nfs/dbraw/zinc/59/17/53/998591753.db2.gz AIJFDTSDZXHQNF-UHFFFAOYSA-N 0 1 384.251 3.285 20 0 GGADMN COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(C)c(C(=O)[O-])c3)[C@@H](C)C2)cc1 ZINC001598977630 998619738 /nfs/dbraw/zinc/61/97/38/998619738.db2.gz LZWIXFUSDXFKBO-INIZCTEOSA-N 0 1 382.460 3.191 20 0 GGADMN COC[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC001599172618 998626788 /nfs/dbraw/zinc/62/67/88/998626788.db2.gz HEIJWSVNFFBJII-INIZCTEOSA-N 0 1 396.365 3.319 20 0 GGADMN COC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC001598979284 998639525 /nfs/dbraw/zinc/63/95/25/998639525.db2.gz ZOWWFPYULGQVTJ-INIZCTEOSA-N 0 1 396.443 3.022 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001594167058 998640665 /nfs/dbraw/zinc/64/06/65/998640665.db2.gz JBTJFUKFUIPEOI-ABAIWWIYSA-N 0 1 376.254 3.201 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001594167060 998640925 /nfs/dbraw/zinc/64/09/25/998640925.db2.gz JBTJFUKFUIPEOI-NHYWBVRUSA-N 0 1 376.254 3.201 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594176005 998676477 /nfs/dbraw/zinc/67/64/77/998676477.db2.gz CZSPMYLAABFCDM-YESZJQIVSA-N 0 1 396.491 3.224 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176931 998683465 /nfs/dbraw/zinc/68/34/65/998683465.db2.gz ORGBMQHSEKZPGD-OWCLPIDISA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@H](C)[N@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594177078 998685249 /nfs/dbraw/zinc/68/52/49/998685249.db2.gz RJCCSBLCHXMPRE-LSDHHAIUSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594177078 998685252 /nfs/dbraw/zinc/68/52/52/998685252.db2.gz RJCCSBLCHXMPRE-LSDHHAIUSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001594177222 998686640 /nfs/dbraw/zinc/68/66/40/998686640.db2.gz UBRLOHWLSOLOGH-WUOIFLIFSA-N 0 1 387.524 3.323 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594177219 998686695 /nfs/dbraw/zinc/68/66/95/998686695.db2.gz UBRLOHWLSOLOGH-FPPGBKCQSA-N 0 1 387.524 3.323 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@H+]([C@H](C(=O)[O-])c1ccc(Cl)cc1)C2 ZINC001598990803 998735318 /nfs/dbraw/zinc/73/53/18/998735318.db2.gz WKCZYNKEMWFUGK-KRWDZBQOSA-N 0 1 375.808 3.147 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@@H+]([C@H](C(=O)[O-])c1ccc(Cl)cc1)C2 ZINC001598990803 998735322 /nfs/dbraw/zinc/73/53/22/998735322.db2.gz WKCZYNKEMWFUGK-KRWDZBQOSA-N 0 1 375.808 3.147 20 0 GGADMN C[C@H]1[C@@H](NC(=O)NCCCCC2(C(=O)[O-])CCC2)CC[N@H+]1Cc1ccccc1 ZINC001594189952 998736599 /nfs/dbraw/zinc/73/65/99/998736599.db2.gz DFQRHSDWBRXSEJ-HKUYNNGSSA-N 0 1 387.524 3.374 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001594189974 998737266 /nfs/dbraw/zinc/73/72/66/998737266.db2.gz DOXHVANVKBQDBR-IERDGZPVSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H]1[C@H](NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001594189972 998737378 /nfs/dbraw/zinc/73/73/78/998737378.db2.gz DOXHVANVKBQDBR-HRAATJIYSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594190553 998740080 /nfs/dbraw/zinc/74/00/80/998740080.db2.gz JDRMGVTUZYUGTC-QRWLVFNGSA-N 0 1 379.460 3.073 20 0 GGADMN COC(=O)c1cccc([C@H]([NH2+][C@@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC001598992993 998753888 /nfs/dbraw/zinc/75/38/88/998753888.db2.gz AQZIFEBHZNFZJC-PMACEKPBSA-N 0 1 382.460 3.026 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994048 998762579 /nfs/dbraw/zinc/76/25/79/998762579.db2.gz BKAPGGNZWVNAKM-QZTJIDSGSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994048 998762582 /nfs/dbraw/zinc/76/25/82/998762582.db2.gz BKAPGGNZWVNAKM-QZTJIDSGSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)c1 ZINC001598994258 998764175 /nfs/dbraw/zinc/76/41/75/998764175.db2.gz CBWHLYRFQOKHLI-HKUYNNGSSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC001598994380 998765529 /nfs/dbraw/zinc/76/55/29/998765529.db2.gz CRZVEGINJOCDLP-HXUWFJFHSA-N 0 1 388.508 3.187 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1 ZINC001598994411 998766256 /nfs/dbraw/zinc/76/62/56/998766256.db2.gz IEHFCBHJVJSZPC-DQLDELGASA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1 ZINC001598994411 998766264 /nfs/dbraw/zinc/76/62/64/998766264.db2.gz IEHFCBHJVJSZPC-DQLDELGASA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1 ZINC001598994410 998766370 /nfs/dbraw/zinc/76/63/70/998766370.db2.gz IEHFCBHJVJSZPC-CZAAIQMYSA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1 ZINC001598994410 998766374 /nfs/dbraw/zinc/76/63/74/998766374.db2.gz IEHFCBHJVJSZPC-CZAAIQMYSA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)c1 ZINC001598995129 998772508 /nfs/dbraw/zinc/77/25/08/998772508.db2.gz ZUUUUFOMJOXNLB-UHFFFAOYSA-N 0 1 378.222 3.224 20 0 GGADMN COC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1Cl ZINC001598995153 998772642 /nfs/dbraw/zinc/77/26/42/998772642.db2.gz FJVLPQGUUZRPBY-DLBZAZTESA-N 0 1 389.835 3.132 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC001598995283 998773844 /nfs/dbraw/zinc/77/38/44/998773844.db2.gz HBOCBBCQWYERBL-HXUWFJFHSA-N 0 1 378.428 3.460 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC001598995283 998773848 /nfs/dbraw/zinc/77/38/48/998773848.db2.gz HBOCBBCQWYERBL-HXUWFJFHSA-N 0 1 378.428 3.460 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001598995602 998777297 /nfs/dbraw/zinc/77/72/97/998777297.db2.gz ILBNRKXMRWKDNA-QFBILLFUSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995602 998777303 /nfs/dbraw/zinc/77/73/03/998777303.db2.gz ILBNRKXMRWKDNA-QFBILLFUSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995602 998777311 /nfs/dbraw/zinc/77/73/11/998777311.db2.gz ILBNRKXMRWKDNA-QFBILLFUSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c1 ZINC001598997491 998792963 /nfs/dbraw/zinc/79/29/63/998792963.db2.gz SQCRKTFTFPUORZ-LPHOPBHVSA-N 0 1 387.407 3.236 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](c3ccc(OC)c(F)c3)C2)c1 ZINC001598997493 998793108 /nfs/dbraw/zinc/79/31/08/998793108.db2.gz SQCRKTFTFPUORZ-VQIMIIECSA-N 0 1 387.407 3.236 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001598998053 998798331 /nfs/dbraw/zinc/79/83/31/998798331.db2.gz WPUAQWXNDVVRBX-KBXCAEBGSA-N 0 1 388.489 3.039 20 0 GGADMN COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001598999058 998807138 /nfs/dbraw/zinc/80/71/38/998807138.db2.gz OYIHFCFKANQLJA-OAHLLOKOSA-N 0 1 390.461 3.152 20 0 GGADMN COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001598999058 998807141 /nfs/dbraw/zinc/80/71/41/998807141.db2.gz OYIHFCFKANQLJA-OAHLLOKOSA-N 0 1 390.461 3.152 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(C[N@H+](C)[C@H](COC(C)C)C(=O)[O-])o1 ZINC001599002671 998832237 /nfs/dbraw/zinc/83/22/37/998832237.db2.gz JOXMMZBNRCWYOE-QGZVFWFLSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-])o1 ZINC001599002671 998832242 /nfs/dbraw/zinc/83/22/42/998832242.db2.gz JOXMMZBNRCWYOE-QGZVFWFLSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1cccc2c1C[N@H+](Cc1ccc(C(=O)[O-])c3cccnc13)CC2 ZINC001599003285 998836786 /nfs/dbraw/zinc/83/67/86/998836786.db2.gz OSXRWFYVUZNFLW-UHFFFAOYSA-N 0 1 376.412 3.278 20 0 GGADMN COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(C(=O)[O-])c3cccnc13)CC2 ZINC001599003285 998836789 /nfs/dbraw/zinc/83/67/89/998836789.db2.gz OSXRWFYVUZNFLW-UHFFFAOYSA-N 0 1 376.412 3.278 20 0 GGADMN COC(=O)c1ccccc1CC[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001599003277 998836806 /nfs/dbraw/zinc/83/68/06/998836806.db2.gz RFFDDBLXQRGFEM-QGZVFWFLSA-N 0 1 381.350 3.191 20 0 GGADMN COC(=O)c1cccc2c1OCC[N@H+](Cc1c3ccccc3[nH]c1C(=O)[O-])C2 ZINC001599003756 998841531 /nfs/dbraw/zinc/84/15/31/998841531.db2.gz VIWCLLKDRUUXER-UHFFFAOYSA-N 0 1 380.400 3.047 20 0 GGADMN COC(=O)c1cccc2c1OCC[N@@H+](Cc1c3ccccc3[nH]c1C(=O)[O-])C2 ZINC001599003756 998841537 /nfs/dbraw/zinc/84/15/37/998841537.db2.gz VIWCLLKDRUUXER-UHFFFAOYSA-N 0 1 380.400 3.047 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001594225827 998866044 /nfs/dbraw/zinc/86/60/44/998866044.db2.gz JJPKQDOFKMTNSP-IYBDPMFKSA-N 0 1 390.528 3.330 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594226280 998867127 /nfs/dbraw/zinc/86/71/27/998867127.db2.gz MJVFRBBXJKRZKH-FRRDWIJNSA-N 0 1 399.438 3.474 20 0 GGADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594230060 998872893 /nfs/dbraw/zinc/87/28/93/998872893.db2.gz CBRRZPNWQIVPMS-IJEWVQPXSA-N 0 1 379.501 3.095 20 0 GGADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594230059 998872926 /nfs/dbraw/zinc/87/29/26/998872926.db2.gz CBRRZPNWQIVPMS-IIAWOOMASA-N 0 1 379.501 3.095 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008711 998878538 /nfs/dbraw/zinc/87/85/38/998878538.db2.gz CATNBTMNQLOPFM-IUODEOHRSA-N 0 1 378.425 3.074 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C)c3cc(C)c(C(=O)[O-])o3)C2)s1 ZINC001599008965 998880415 /nfs/dbraw/zinc/88/04/15/998880415.db2.gz HWDWXNKURNSFOE-NWDGAFQWSA-N 0 1 378.450 3.470 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(CC(=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC001594232475 998885599 /nfs/dbraw/zinc/88/55/99/998885599.db2.gz KVGCNBCLGYWIDO-AEFFLSMTSA-N 0 1 396.491 3.131 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC001594232560 998886348 /nfs/dbraw/zinc/88/63/48/998886348.db2.gz MQWPZFVBCBXWDT-JWRIFHQMSA-N 0 1 399.535 3.326 20 0 GGADMN COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])c(C(C)C)[nH]3)C2)s1 ZINC001599010206 998891834 /nfs/dbraw/zinc/89/18/34/998891834.db2.gz YXLIMXKHDDHRLT-LLVKDONJSA-N 0 1 377.466 3.069 20 0 GGADMN COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599017540 998951901 /nfs/dbraw/zinc/95/19/01/998951901.db2.gz KLELHCWEWXDQIM-NEPJUHHUSA-N 0 1 378.450 3.470 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C)C2CCC(C)(C)CC2)c(C(=O)[O-])c1C ZINC001599020237 998972787 /nfs/dbraw/zinc/97/27/87/998972787.db2.gz DXUYGSLZPAETPV-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C)C[C@H]2CC=CCC2)c(C(=O)[O-])c1C ZINC001599020755 998976990 /nfs/dbraw/zinc/97/69/90/998976990.db2.gz PAEVBFVVANGOQZ-ZDUSSCGKSA-N 0 1 394.493 3.158 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C)C[C@@H]2CC=CCC2)c(C(=O)[O-])c1C ZINC001599020753 998977458 /nfs/dbraw/zinc/97/74/58/998977458.db2.gz PAEVBFVVANGOQZ-CYBMUJFWSA-N 0 1 394.493 3.158 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C(C)C)C2CCC2)c(C(=O)[O-])c1C ZINC001599021053 998979693 /nfs/dbraw/zinc/97/96/93/998979693.db2.gz ROQXXOOIGGXSDQ-UHFFFAOYSA-N 0 1 382.482 3.133 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CC=CC23CCCCC3)c(C(=O)[O-])c1C ZINC001599021641 998984305 /nfs/dbraw/zinc/98/43/05/998984305.db2.gz VLPFMXSYBWCEAH-UHFFFAOYSA-N 0 1 392.477 3.055 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CC=CC23CCCCC3)c(C(=O)[O-])c1C ZINC001599021641 998984314 /nfs/dbraw/zinc/98/43/14/998984314.db2.gz VLPFMXSYBWCEAH-UHFFFAOYSA-N 0 1 392.477 3.055 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c(C(=O)[O-])c1C ZINC001599021603 998984373 /nfs/dbraw/zinc/98/43/73/998984373.db2.gz UIOPBDNLAKIQDD-GFCCVEGCSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C)CCC2CCCCC2)c(C(=O)[O-])c1C ZINC001599021705 998984719 /nfs/dbraw/zinc/98/47/19/998984719.db2.gz WRDDAARTQFSROP-UHFFFAOYSA-N 0 1 396.509 3.382 20 0 GGADMN COC(=O)c1sc2ccccc2c1C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC001599022239 998989773 /nfs/dbraw/zinc/98/97/73/998989773.db2.gz GRHAXAYPQVDLAE-UHFFFAOYSA-N 0 1 377.462 3.144 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC001594257476 998990976 /nfs/dbraw/zinc/99/09/76/998990976.db2.gz GWBHACYNCBCAGR-OXQOHEQNSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(CCC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC001594257475 998991048 /nfs/dbraw/zinc/99/10/48/998991048.db2.gz GWBHACYNCBCAGR-OXJNMPFZSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@H]1CC2(C[N@H+]1Cc1ccc(C(=O)[O-])cn1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594281770 999089539 /nfs/dbraw/zinc/08/95/39/999089539.db2.gz AEJMVRDKDIIDEI-HNNXBMFYSA-N 0 1 389.496 3.391 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594284226 999101921 /nfs/dbraw/zinc/10/19/21/999101921.db2.gz KVRUJOIVISRNGU-IRWJRLHMSA-N 0 1 398.425 3.458 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594284228 999101953 /nfs/dbraw/zinc/10/19/53/999101953.db2.gz KVRUJOIVISRNGU-QCPWZWHMSA-N 0 1 398.425 3.458 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594285931 999107272 /nfs/dbraw/zinc/10/72/72/999107272.db2.gz QEVVBZJCYNRSPP-XABYNWHXSA-N 0 1 384.398 3.068 20 0 GGADMN C[C@@H]1CC2(C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594286971 999110486 /nfs/dbraw/zinc/11/04/86/999110486.db2.gz WIEVQVKJZOGAFM-CQSZACIVSA-N 0 1 377.485 3.324 20 0 GGADMN C[C@@H]1CC2(C[N@H+]1Cc1cncc(C(=O)[O-])c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594287349 999111668 /nfs/dbraw/zinc/11/16/68/999111668.db2.gz WGMCCSKWTRVOFA-OAHLLOKOSA-N 0 1 389.496 3.391 20 0 GGADMN C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594287504 999112189 /nfs/dbraw/zinc/11/21/89/999112189.db2.gz WHGJNZPTZDHSFT-FRFSOERESA-N 0 1 398.425 3.239 20 0 GGADMN CO[C@H](C)c1nc(C[N@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cs1 ZINC001599042036 999124468 /nfs/dbraw/zinc/12/44/68/999124468.db2.gz KPLNMUKKIAQELF-WKPIXPDZSA-N 0 1 382.432 3.429 20 0 GGADMN CO[C@H](C)c1nc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cs1 ZINC001599042036 999124472 /nfs/dbraw/zinc/12/44/72/999124472.db2.gz KPLNMUKKIAQELF-WKPIXPDZSA-N 0 1 382.432 3.429 20 0 GGADMN CO[C@@H](C)c1nc(C[N@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cs1 ZINC001599042017 999124535 /nfs/dbraw/zinc/12/45/35/999124535.db2.gz KPLNMUKKIAQELF-NZVBXONLSA-N 0 1 382.432 3.429 20 0 GGADMN CO[C@@H](C)c1nc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cs1 ZINC001599042017 999124538 /nfs/dbraw/zinc/12/45/38/999124538.db2.gz KPLNMUKKIAQELF-NZVBXONLSA-N 0 1 382.432 3.429 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001594295366 999136241 /nfs/dbraw/zinc/13/62/41/999136241.db2.gz HUOWMSCQABYXTB-HUUCEWRRSA-N 0 1 376.497 3.465 20 0 GGADMN CC1CCC(N(C(=O)C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)C2CC2)CC1 ZINC001594306737 999184777 /nfs/dbraw/zinc/18/47/77/999184777.db2.gz KNSIESKWARNMOA-SHARSMKWSA-N 0 1 391.537 3.200 20 0 GGADMN C[C@H]1CC[C@@]([NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)(C(=O)[O-])c2ccccc21 ZINC001594321374 999235256 /nfs/dbraw/zinc/23/52/56/999235256.db2.gz CQODQCXEYYNYCS-FPTDNZKUSA-N 0 1 398.507 3.123 20 0 GGADMN C[C@H]1CC[C@@]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594324310 999250937 /nfs/dbraw/zinc/25/09/37/999250937.db2.gz ZGXZJGWALVPARL-NYHFZMIOSA-N 0 1 396.491 3.404 20 0 GGADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001594366664 999385526 /nfs/dbraw/zinc/38/55/26/999385526.db2.gz MMLZRWUZAHJKGD-TWILYEHCSA-N 0 1 394.462 3.102 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC001594374570 999411314 /nfs/dbraw/zinc/41/13/14/999411314.db2.gz PMWSAMRFJXJDEQ-HOTGVXAUSA-N 0 1 388.512 3.369 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001594375000 999413776 /nfs/dbraw/zinc/41/37/76/999413776.db2.gz INTXEGDCTAILRI-KBPBESRZSA-N 0 1 394.541 3.109 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594375267 999414932 /nfs/dbraw/zinc/41/49/32/999414932.db2.gz MJGQDOYCKHGCSZ-SJORKVTESA-N 0 1 391.560 3.042 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001594375466 999416713 /nfs/dbraw/zinc/41/67/13/999416713.db2.gz TWKWGKVRDYCYTD-OAHLLOKOSA-N 0 1 391.487 3.246 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594376366 999419899 /nfs/dbraw/zinc/41/98/99/999419899.db2.gz NCOBVMQUSJEOAC-HNNXBMFYSA-N 0 1 382.464 3.476 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380376 999436407 /nfs/dbraw/zinc/43/64/07/999436407.db2.gz KWOCEHVFHUUACY-CRAIPNDOSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380376 999436409 /nfs/dbraw/zinc/43/64/09/999436409.db2.gz KWOCEHVFHUUACY-CRAIPNDOSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cccc1C(=O)[O-] ZINC001594382324 999440838 /nfs/dbraw/zinc/44/08/38/999440838.db2.gz AFIOCJGFSCCVAR-LSDHHAIUSA-N 0 1 377.485 3.414 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1C(=O)[O-] ZINC001594382321 999440931 /nfs/dbraw/zinc/44/09/31/999440931.db2.gz AFIOCJGFSCCVAR-CABCVRRESA-N 0 1 377.485 3.414 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594382756 999443858 /nfs/dbraw/zinc/44/38/58/999443858.db2.gz BKCFWXPJXGQDFC-OAHLLOKOSA-N 0 1 382.464 3.333 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](CC(=O)[O-])C3CC3)cc2)C1 ZINC001594382766 999443873 /nfs/dbraw/zinc/44/38/73/999443873.db2.gz BVMPFTPUVQVATP-UZLBHIALSA-N 0 1 387.524 3.219 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594382755 999444054 /nfs/dbraw/zinc/44/40/54/999444054.db2.gz BKCFWXPJXGQDFC-HNNXBMFYSA-N 0 1 382.464 3.333 20 0 GGADMN C[C@@H](CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)[N@H+]1CCC[C@@H](C)C1 ZINC001594382985 999445053 /nfs/dbraw/zinc/44/50/53/999445053.db2.gz JTGVUHORYQVQFI-GJYPPUQNSA-N 0 1 387.524 3.224 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001594383577 999448853 /nfs/dbraw/zinc/44/88/53/999448853.db2.gz ODLLTPSMBMQYJB-GJZGRUSLSA-N 0 1 377.485 3.414 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001594383579 999449003 /nfs/dbraw/zinc/44/90/03/999449003.db2.gz ODLLTPSMBMQYJB-HUUCEWRRSA-N 0 1 377.485 3.414 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594384042 999452826 /nfs/dbraw/zinc/45/28/26/999452826.db2.gz RNGDWSMNGDIFDK-CVEARBPZSA-N 0 1 388.512 3.227 20 0 GGADMN C[C@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@H]1CNC(=O)OC(C)(C)C ZINC001594384481 999456606 /nfs/dbraw/zinc/45/66/06/999456606.db2.gz QGZXTCIIWCXUMD-YJBOKZPZSA-N 0 1 392.496 3.389 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc2)C1 ZINC001594384537 999457223 /nfs/dbraw/zinc/45/72/23/999457223.db2.gz SKPSXJGEJWRDNB-VGSWGCGISA-N 0 1 387.524 3.315 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594384659 999458317 /nfs/dbraw/zinc/45/83/17/999458317.db2.gz XNQWSECWXJKACZ-VXGBXAGGSA-N 0 1 398.301 3.389 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594384657 999458391 /nfs/dbraw/zinc/45/83/91/999458391.db2.gz XNQWSECWXJKACZ-NWDGAFQWSA-N 0 1 398.301 3.389 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])cc2)C1 ZINC001594384785 999459044 /nfs/dbraw/zinc/45/90/44/999459044.db2.gz UNHFEYQMFWVECS-FFZOFVMBSA-N 0 1 387.524 3.361 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C1 ZINC001594384846 999459723 /nfs/dbraw/zinc/45/97/23/999459723.db2.gz WYCACYVMKGUVSO-SHQCPXRQSA-N 0 1 399.535 3.217 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CC(=O)[O-])CC2)C1 ZINC001594385222 999461990 /nfs/dbraw/zinc/46/19/90/999461990.db2.gz YJRKNXQJTUUCAS-QGZVFWFLSA-N 0 1 387.524 3.315 20 0 GGADMN C[C@@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001594402224 999506339 /nfs/dbraw/zinc/50/63/39/999506339.db2.gz SSCHSUXAESJPHS-GOSISDBHSA-N 0 1 387.524 3.328 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC001594414840 999550898 /nfs/dbraw/zinc/55/08/98/999550898.db2.gz QUGIFLHNNIFWCK-JKMAKKBCSA-N 0 1 397.519 3.180 20 0 GGADMN C[C@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594418749 999562827 /nfs/dbraw/zinc/56/28/27/999562827.db2.gz IXVQOOUXXVDVJV-LPHOPBHVSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594418753 999562856 /nfs/dbraw/zinc/56/28/56/999562856.db2.gz IXVQOOUXXVDVJV-VQIMIIECSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C(=O)[O-])C1 ZINC001594421962 999572165 /nfs/dbraw/zinc/57/21/65/999572165.db2.gz IWGDCZOHPFLNPN-GUYCJALGSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H](C(=O)[O-])C1 ZINC001594421962 999572167 /nfs/dbraw/zinc/57/21/67/999572167.db2.gz IWGDCZOHPFLNPN-GUYCJALGSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594423340 999579845 /nfs/dbraw/zinc/57/98/45/999579845.db2.gz TVAHCMRWVDTHPS-NVXWUHKLSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@]4(CC4(F)F)C3)c2C(=O)[O-])C1 ZINC001594443437 999631461 /nfs/dbraw/zinc/63/14/61/999631461.db2.gz FJTPGNGVHHQKGS-BTDLBPIBSA-N 0 1 384.448 3.241 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@]4(CC4(F)F)C3)c2C(=O)[O-])C1 ZINC001594443437 999631462 /nfs/dbraw/zinc/63/14/62/999631462.db2.gz FJTPGNGVHHQKGS-BTDLBPIBSA-N 0 1 384.448 3.241 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)C4(C(=O)[O-])CCCC4)nc(N)c32)C1 ZINC001594444325 999633176 /nfs/dbraw/zinc/63/31/76/999633176.db2.gz PARJXOZUSLHCDF-GFCCVEGCSA-N 0 1 388.537 3.270 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@@H](c4ccccn4)C3)c2C(=O)[O-])C1 ZINC001594444289 999633255 /nfs/dbraw/zinc/63/32/55/999633255.db2.gz NZUPVOVSOQIGIB-UONOGXRCSA-N 0 1 399.516 3.394 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@@H](c4ccccn4)C3)c2C(=O)[O-])C1 ZINC001594444289 999633258 /nfs/dbraw/zinc/63/32/58/999633258.db2.gz NZUPVOVSOQIGIB-UONOGXRCSA-N 0 1 399.516 3.394 20 0 GGADMN C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)C4(C(=O)[O-])CCCC4)nc(N)c32)C1 ZINC001594444326 999633426 /nfs/dbraw/zinc/63/34/26/999633426.db2.gz PARJXOZUSLHCDF-LBPRGKRZSA-N 0 1 388.537 3.270 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+](C[C@@H]3CCOC3)C3CC3)c2C(=O)[O-])C1 ZINC001594444552 999634146 /nfs/dbraw/zinc/63/41/46/999634146.db2.gz UERZLJIBGRPXFJ-STQMWFEESA-N 0 1 392.521 3.011 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCCC[C@H]3CCO)c2C(=O)[O-])C1 ZINC001594444683 999634879 /nfs/dbraw/zinc/63/48/79/999634879.db2.gz YAPKPJBPUTXDCJ-KBPBESRZSA-N 0 1 394.537 3.137 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCCC[C@@H]3CCO)c2C(=O)[O-])C1 ZINC001594444686 999634966 /nfs/dbraw/zinc/63/49/66/999634966.db2.gz YAPKPJBPUTXDCJ-ZIAGYGMSSA-N 0 1 394.537 3.137 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594462127 999672867 /nfs/dbraw/zinc/67/28/67/999672867.db2.gz DARYCRVMCBHOIR-CQSZACIVSA-N 0 1 398.425 3.135 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594462226 999673264 /nfs/dbraw/zinc/67/32/64/999673264.db2.gz FZDBWJWKFIQUFT-CYBMUJFWSA-N 0 1 399.318 3.423 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594462293 999673471 /nfs/dbraw/zinc/67/34/71/999673471.db2.gz HAHQJVVYJDXJQP-MRXNPFEDSA-N 0 1 376.472 3.035 20 0 GGADMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC001594462318 999673993 /nfs/dbraw/zinc/67/39/93/999673993.db2.gz HNPKBCDQUYPIEN-GFCCVEGCSA-N 0 1 387.307 3.278 20 0 GGADMN C[C@H]1CN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC001594462319 999674234 /nfs/dbraw/zinc/67/42/34/999674234.db2.gz HNPKBCDQUYPIEN-LBPRGKRZSA-N 0 1 387.307 3.278 20 0 GGADMN C[C@H]1CN(C(=O)CCCSc2ccc(Cl)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594464675 999680158 /nfs/dbraw/zinc/68/01/58/999680158.db2.gz CONAHRLXGKDCBN-AWEZNQCLSA-N 0 1 384.929 3.220 20 0 GGADMN C[C@H]1CN(C(=O)CCCOc2cccc3ccccc32)CC[N@H+]1CCC(=O)[O-] ZINC001594464939 999681272 /nfs/dbraw/zinc/68/12/72/999681272.db2.gz GRQPSLWCOAKBCB-KRWDZBQOSA-N 0 1 384.476 3.006 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594473589 999707578 /nfs/dbraw/zinc/70/75/78/999707578.db2.gz NVPYZGGUZIYWNZ-ZWKOTPCHSA-N 0 1 387.524 3.326 20 0 GGADMN CC(C)(C)c1cnc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])s1 ZINC000417573296 1126080757 /nfs/dbraw/zinc/08/07/57/1126080757.db2.gz HEJKTVVSSRQJOO-AWEZNQCLSA-N 0 1 390.505 3.387 20 0 GGADMN COc1cc(C[C@@H]([NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])cc(OC)c1 ZINC000426801567 1126091282 /nfs/dbraw/zinc/09/12/82/1126091282.db2.gz UTVACVBZQCLJRE-SJKOYZFVSA-N 0 1 390.505 3.071 20 0 GGADMN COC(=O)c1ccc(Cl)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1 ZINC000482234218 1126094997 /nfs/dbraw/zinc/09/49/97/1126094997.db2.gz LBGRYGYVAQQUEJ-SJORKVTESA-N 0 1 383.822 3.454 20 0 GGADMN OC[C@@H](Cc1ccc(F)cc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000500222254 1126095202 /nfs/dbraw/zinc/09/52/02/1126095202.db2.gz OEAKTSMOLXLCMF-CQSZACIVSA-N 0 1 395.265 3.406 20 0 GGADMN Cn1c(CN[C@]2(CO)COc3ccccc3C2)nc2cc(C(F)(F)F)ccc21 ZINC000527769541 1126096085 /nfs/dbraw/zinc/09/60/85/1126096085.db2.gz QWGNUPHAQGAGHE-LJQANCHMSA-N 0 1 391.393 3.048 20 0 GGADMN OC[C@@]1(NCc2cncc(OCc3ccccc3)c2)COc2ccccc2C1 ZINC000528645329 1126096248 /nfs/dbraw/zinc/09/62/48/1126096248.db2.gz MVGNTRUABVZHFL-HSZRJFAPSA-N 0 1 376.456 3.116 20 0 GGADMN OC[C@@]1(NCc2cnc(CCc3ccccc3)s2)COc2ccccc2C1 ZINC000527769232 1126096258 /nfs/dbraw/zinc/09/62/58/1126096258.db2.gz KQHKCSWEKIAPPI-JOCHJYFZSA-N 0 1 380.513 3.384 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000574789461 1126098239 /nfs/dbraw/zinc/09/82/39/1126098239.db2.gz SWMLLVMCXUDRIW-AWEZNQCLSA-N 0 1 395.265 3.406 20 0 GGADMN COc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(OC)c1OC ZINC000604766034 1126099783 /nfs/dbraw/zinc/09/97/83/1126099783.db2.gz MZMMNUOBAGVPLS-KXBFYZLASA-N 0 1 399.409 3.337 20 0 GGADMN O[C@@H]([C@H](Cc1ccccc1)NCc1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000604766319 1126100176 /nfs/dbraw/zinc/10/01/76/1126100176.db2.gz OUZLLEVAHYBTSO-OALUTQOASA-N 0 1 375.394 3.496 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000604766633 1126100354 /nfs/dbraw/zinc/10/03/54/1126100354.db2.gz YAWCPNBKNQABFU-KXBFYZLASA-N 0 1 399.409 3.337 20 0 GGADMN CN(C)C(=O)c1cccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000640562238 1126102813 /nfs/dbraw/zinc/10/28/13/1126102813.db2.gz FVVGUWWAHITTHJ-QZTJIDSGSA-N 0 1 380.410 3.013 20 0 GGADMN COc1cc(F)c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000651711327 1126103946 /nfs/dbraw/zinc/10/39/46/1126103946.db2.gz GSRGFTAOVDPJGE-MAUKXSAKSA-N 0 1 387.373 3.467 20 0 GGADMN COc1cc(C[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C(=O)[O-])cc(OC)c1 ZINC000864508217 1126113238 /nfs/dbraw/zinc/11/32/38/1126113238.db2.gz WVTBRXHHXDZDJW-OAHLLOKOSA-N 0 1 378.494 3.243 20 0 GGADMN COC(=O)/C=C\c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC000848897100 1126112455 /nfs/dbraw/zinc/11/24/55/1126112455.db2.gz MZYCAOLJOFFSCJ-HNTBBJOVSA-N 0 1 383.366 3.090 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2coc(-c3ccccc3)n2)cc1OC ZINC000873191293 1126119011 /nfs/dbraw/zinc/11/90/11/1126119011.db2.gz LIQNUDWCEYKOKY-QFIPXVFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2ccnc(Cl)c2Cl)cc1OC ZINC000873193844 1126121107 /nfs/dbraw/zinc/12/11/07/1126121107.db2.gz SATGRABCGJCOSQ-GOSISDBHSA-N 0 1 385.291 3.489 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN[C@H](CO)Cc2ccccc2)on1 ZINC000877037619 1126121579 /nfs/dbraw/zinc/12/15/79/1126121579.db2.gz SSEZZQKUXJBHNA-INIZCTEOSA-N 0 1 389.496 3.128 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN[C@@H]2Cc3ccccc3[C@H]2O)on1 ZINC000898387240 1126126383 /nfs/dbraw/zinc/12/63/83/1126126383.db2.gz NXHLZFSDSHLDLN-SJLPKXTDSA-N 0 1 387.480 3.182 20 0 GGADMN CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H](Cc1ccn[nH]1)C(=O)[O-] ZINC000900059811 1126128545 /nfs/dbraw/zinc/12/85/45/1126128545.db2.gz UPEJZLCZQJULNM-AWEZNQCLSA-N 0 1 398.326 3.458 20 0 GGADMN CC[C@]([NH2+]Cc1cnc(N2CCOCC2)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871332 1126130752 /nfs/dbraw/zinc/13/07/52/1126130752.db2.gz BDJSTBDHYVEJRE-GOSISDBHSA-N 0 1 395.912 3.113 20 0 GGADMN CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000904049662 1126132257 /nfs/dbraw/zinc/13/22/57/1126132257.db2.gz GVYYRUJMLTZFBQ-AWEZNQCLSA-N 0 1 398.326 3.458 20 0 GGADMN COc1cccc(-c2nc(CN[C@@](C)(CO)Cc3ccccc3OC)co2)c1 ZINC000931599971 1126135656 /nfs/dbraw/zinc/13/56/56/1126135656.db2.gz GBHRTTLFMVLDSP-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000931602641 1126136242 /nfs/dbraw/zinc/13/62/42/1126136242.db2.gz GKEJPKIDFWTXEJ-INIZCTEOSA-N 0 1 391.821 3.184 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000933424091 1126137821 /nfs/dbraw/zinc/13/78/21/1126137821.db2.gz CMUDFKBWSHCLMC-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000933426395 1126138208 /nfs/dbraw/zinc/13/82/08/1126138208.db2.gz MCUQBXMWJKMFBH-FQEVSTJZSA-N 0 1 387.867 3.482 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000933428882 1126138956 /nfs/dbraw/zinc/13/89/56/1126138956.db2.gz NVPMKUMKGSIECC-HXUWFJFHSA-N 0 1 387.867 3.081 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000933429048 1126139069 /nfs/dbraw/zinc/13/90/69/1126139069.db2.gz VLBSHMXNZXDQKM-HXUWFJFHSA-N 0 1 387.867 3.081 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2coc(-c3cccc(OC)c3)n2)cc1 ZINC000933431573 1126139549 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ZINC000008115386 564246278 /nfs/dbraw/zinc/24/62/78/564246278.db2.gz HXGQMHJOFYUZSO-UHFFFAOYSA-N 0 1 387.237 3.424 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)CCCCc2cn[nH]n2)cc1Cl ZINC000118942213 564248444 /nfs/dbraw/zinc/24/84/44/564248444.db2.gz HFEYWUUVBSBCOF-UHFFFAOYSA-N 0 1 387.267 3.488 20 0 GGADMN CN1CCCN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000118996033 564250279 /nfs/dbraw/zinc/25/02/79/564250279.db2.gz STVMMBOBRPOGEV-UHFFFAOYSA-N 0 1 384.263 3.338 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(Br)c2)N(C)C)c1 ZINC000010018132 564255280 /nfs/dbraw/zinc/25/52/80/564255280.db2.gz HFUAITCJBXYKAV-KRWDZBQOSA-N 0 1 377.282 3.490 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1cncc(N2CCCC2)n1 ZINC000508224546 564258442 /nfs/dbraw/zinc/25/84/42/564258442.db2.gz UPUGERKAOOPICF-UHFFFAOYSA-N 0 1 387.292 3.326 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000119218802 564260006 /nfs/dbraw/zinc/26/00/06/564260006.db2.gz JWMARVSUJKZFJB-UHFFFAOYSA-N 0 1 385.295 3.162 20 0 GGADMN OC[C@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1cccc(Cl)c1F ZINC000540974290 564261999 /nfs/dbraw/zinc/26/19/99/564261999.db2.gz XGKYKXRYTMWJTL-QMMMGPOBSA-N 0 1 375.713 3.310 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)Nc1c(F)cc(F)cc1Br ZINC000011572064 564263519 /nfs/dbraw/zinc/26/35/19/564263519.db2.gz NBEPCVKICPXGNB-UHFFFAOYSA-N 0 1 389.225 3.454 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)Nc1c(F)cc(F)cc1Br ZINC000011572064 564263523 /nfs/dbraw/zinc/26/35/23/564263523.db2.gz NBEPCVKICPXGNB-UHFFFAOYSA-N 0 1 389.225 3.454 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000119357907 564266637 /nfs/dbraw/zinc/26/66/37/564266637.db2.gz XTQXRTMPVAGUIW-UHFFFAOYSA-N 0 1 391.320 3.480 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012771960 564270787 /nfs/dbraw/zinc/27/07/87/564270787.db2.gz YPUCBTGUCHYSEL-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN CS(=O)(=O)c1cccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1 ZINC000012829477 564271316 /nfs/dbraw/zinc/27/13/16/564271316.db2.gz 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Cn1cc(Br)cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000120193025 564308675 /nfs/dbraw/zinc/30/86/75/564308675.db2.gz ULPDFBFMTAOOHB-AWEZNQCLSA-N 0 1 382.327 3.416 20 0 GGADMN O=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000021216211 564309791 /nfs/dbraw/zinc/30/97/91/564309791.db2.gz PVTDHDSHEGOOAD-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000120229595 564310673 /nfs/dbraw/zinc/31/06/73/564310673.db2.gz WFGCYOZZQVFVSC-LBPRGKRZSA-N 0 1 395.388 3.157 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000021737717 564312346 /nfs/dbraw/zinc/31/23/46/564312346.db2.gz DLZXQGAIGGCMFH-UHFFFAOYSA-N 0 1 380.857 3.228 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000021737717 564312348 /nfs/dbraw/zinc/31/23/48/564312348.db2.gz DLZXQGAIGGCMFH-UHFFFAOYSA-N 0 1 380.857 3.228 20 0 GGADMN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000022095429 564313789 /nfs/dbraw/zinc/31/37/89/564313789.db2.gz IWMSKUUDHFSCSJ-UHFFFAOYSA-N 0 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COCCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000024307685 564329767 /nfs/dbraw/zinc/32/97/67/564329767.db2.gz CVZDZBAWSHWPQQ-NSHDSACASA-N 0 1 384.889 3.101 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000025239389 564336857 /nfs/dbraw/zinc/33/68/57/564336857.db2.gz SPTWMMHPYUQVJR-YUMQZZPRSA-N 0 1 386.201 3.421 20 0 GGADMN Cc1csc2nc(CN(C)Cc3ccc(Br)cc3)cc(=O)n12 ZINC000025221689 564336992 /nfs/dbraw/zinc/33/69/92/564336992.db2.gz KLIVHQFHOMAFFW-UHFFFAOYSA-N 0 1 378.295 3.459 20 0 GGADMN CN(C)[C@@H](CNC(=O)COCc1nc2ccccc2s1)c1ccsc1 ZINC000025330808 564337572 /nfs/dbraw/zinc/33/75/72/564337572.db2.gz CPXOCSKWBIOKGW-HNNXBMFYSA-N 0 1 375.519 3.294 20 0 GGADMN CN(C)[C@H](CNC(=O)CCc1nnc(-c2ccsc2)o1)c1ccsc1 ZINC000025332247 564337664 /nfs/dbraw/zinc/33/76/64/564337664.db2.gz NLLLUACGNDDLFK-CQSZACIVSA-N 0 1 376.507 3.211 20 0 GGADMN CN(C)[C@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccsc1 ZINC000025331594 564337917 /nfs/dbraw/zinc/33/79/17/564337917.db2.gz 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CCN1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000121052131 564350136 /nfs/dbraw/zinc/35/01/36/564350136.db2.gz SFRVAKNYCDPBON-UHFFFAOYSA-N 0 1 391.313 3.111 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccccc2Br)[nH]1 ZINC000121054180 564351088 /nfs/dbraw/zinc/35/10/88/564351088.db2.gz IVYODCXGWJXWLZ-CYBMUJFWSA-N 0 1 381.299 3.331 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2ccccc2Br)n1 ZINC000121054180 564351092 /nfs/dbraw/zinc/35/10/92/564351092.db2.gz IVYODCXGWJXWLZ-CYBMUJFWSA-N 0 1 381.299 3.331 20 0 GGADMN CCCCN(CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121063856 564351392 /nfs/dbraw/zinc/35/13/92/564351392.db2.gz WPFAXRIMPIJDIO-OAHLLOKOSA-N 0 1 379.444 3.417 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1O ZINC000027334218 564353904 /nfs/dbraw/zinc/35/39/04/564353904.db2.gz IJOCJKIUXDXJRA-CQSZACIVSA-N 0 1 379.254 3.315 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cncc(Br)c1 ZINC000027604485 564355968 /nfs/dbraw/zinc/35/59/68/564355968.db2.gz BAAPKXNFQQUMGR-CQSZACIVSA-N 0 1 380.311 3.473 20 0 GGADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000027971480 564358044 /nfs/dbraw/zinc/35/80/44/564358044.db2.gz XEAHJTNLBAONLZ-UHFFFAOYSA-N 0 1 386.876 3.357 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000121235937 564360000 /nfs/dbraw/zinc/36/00/00/564360000.db2.gz FNMDQOSSXPQGRL-GOSISDBHSA-N 0 1 395.341 3.471 20 0 GGADMN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000028244506 564361722 /nfs/dbraw/zinc/36/17/22/564361722.db2.gz NVBIABDVNRYWTK-UHFFFAOYSA-N 0 1 398.282 3.310 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1-n1cnnn1 ZINC000028261473 564361987 /nfs/dbraw/zinc/36/19/87/564361987.db2.gz JJOUATNPMZMVGH-UHFFFAOYSA-N 0 1 390.277 3.140 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000543761024 564362759 /nfs/dbraw/zinc/36/27/59/564362759.db2.gz MDFBCZBVIUHLMR-SECBINFHSA-N 0 1 398.282 3.468 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000543761989 564363042 /nfs/dbraw/zinc/36/30/42/564363042.db2.gz GITOHLYRMFZGBJ-UHFFFAOYSA-N 0 1 378.841 3.421 20 0 GGADMN CCc1nc(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n[nH]1 ZINC000028656845 564363430 /nfs/dbraw/zinc/36/34/30/564363430.db2.gz AKZABUHDLSPIGV-JTQLQIEISA-N 0 1 383.315 3.269 20 0 GGADMN CCc1n[nH]c(S[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 ZINC000028656845 564363431 /nfs/dbraw/zinc/36/34/31/564363431.db2.gz AKZABUHDLSPIGV-JTQLQIEISA-N 0 1 383.315 3.269 20 0 GGADMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCC(F)(F)F ZINC000028868584 564364354 /nfs/dbraw/zinc/36/43/54/564364354.db2.gz AIXHTXWRKHFWMV-UHFFFAOYSA-N 0 1 395.204 3.005 20 0 GGADMN O=c1cc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2sccn21 ZINC000028869306 564364651 /nfs/dbraw/zinc/36/46/51/564364651.db2.gz WFCPWWVPDHPPJY-UHFFFAOYSA-N 0 1 375.866 3.487 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000121352622 564365998 /nfs/dbraw/zinc/36/59/98/564365998.db2.gz FFGBBLGAGRUPOV-HRCADAONSA-N 0 1 397.357 3.243 20 0 GGADMN Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000028906299 564366191 /nfs/dbraw/zinc/36/61/91/564366191.db2.gz RWCSYURWQSQZRT-UHFFFAOYSA-N 0 1 390.241 3.410 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(Br)ccc1O)c1cccc(F)c1 ZINC000029830485 564374581 /nfs/dbraw/zinc/37/45/81/564374581.db2.gz YKMCXPVEUZGHRL-HNNXBMFYSA-N 0 1 381.245 3.327 20 0 GGADMN CN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Br)o1 ZINC000030218792 564377650 /nfs/dbraw/zinc/37/76/50/564377650.db2.gz CBQZVSBMJLTNAN-UHFFFAOYSA-N 0 1 381.226 3.231 20 0 GGADMN O=S(=O)(NCCN1CCCCCC1)c1ccc(OC(F)F)c(Cl)c1 ZINC000030338380 564379004 /nfs/dbraw/zinc/37/90/04/564379004.db2.gz CHNCRLVROLVDDD-UHFFFAOYSA-N 0 1 382.860 3.096 20 0 GGADMN CC(C)(CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCCC1 ZINC000030339110 564379782 /nfs/dbraw/zinc/37/97/82/564379782.db2.gz BELLSLILXURSCO-UHFFFAOYSA-N 0 1 396.887 3.484 20 0 GGADMN O=C(COc1cccc(Br)c1)NCCN1CCc2ccccc2C1 ZINC000030363363 564379864 /nfs/dbraw/zinc/37/98/64/564379864.db2.gz DQMPLLDDRIFFCJ-UHFFFAOYSA-N 0 1 389.293 3.002 20 0 GGADMN COc1ccsc1S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000121668590 564380519 /nfs/dbraw/zinc/38/05/19/564380519.db2.gz USFFRNNAGOECFR-UHFFFAOYSA-N 0 1 395.428 3.067 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)c(C)c1 ZINC000030431944 564380515 /nfs/dbraw/zinc/38/05/15/564380515.db2.gz GOWJQJYEAMYKJN-UHFFFAOYSA-N 0 1 382.595 3.252 20 0 GGADMN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121660324 564380559 /nfs/dbraw/zinc/38/05/59/564380559.db2.gz JFJWBNYELDLGTC-UHFFFAOYSA-N 0 1 385.482 3.155 20 0 GGADMN COCc1nc(C)c(C(=O)Nc2cccc(CN3CCSCC3)c2)s1 ZINC000121705567 564382710 /nfs/dbraw/zinc/38/27/10/564382710.db2.gz DZMSUDQEJOVOSK-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000030628053 564383107 /nfs/dbraw/zinc/38/31/07/564383107.db2.gz RYUZXQJZXKNUPK-BYPYZUCNSA-N 0 1 378.326 3.497 20 0 GGADMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000030628053 564383110 /nfs/dbraw/zinc/38/31/10/564383110.db2.gz RYUZXQJZXKNUPK-BYPYZUCNSA-N 0 1 378.326 3.497 20 0 GGADMN COc1ccc(Br)cc1CNCc1ccc(Cn2cncn2)cc1 ZINC000030634017 564383124 /nfs/dbraw/zinc/38/31/24/564383124.db2.gz QISMJXZQQKGOAZ-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000030628050 564383189 /nfs/dbraw/zinc/38/31/89/564383189.db2.gz RYUZXQJZXKNUPK-SCSAIBSYSA-N 0 1 378.326 3.497 20 0 GGADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000030628050 564383194 /nfs/dbraw/zinc/38/31/94/564383194.db2.gz RYUZXQJZXKNUPK-SCSAIBSYSA-N 0 1 378.326 3.497 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(-c3ccc(Cl)s3)on2)C[C@H](C)O1 ZINC000121719407 564383349 /nfs/dbraw/zinc/38/33/49/564383349.db2.gz WIELIIZKIZWYGX-TXEJJXNPSA-N 0 1 383.901 3.286 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(Br)c1 ZINC000121736474 564384521 /nfs/dbraw/zinc/38/45/21/564384521.db2.gz BPILIMWAQUSDRL-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CN(C)[C@H](CNC(=O)CCc1nnc(-c2ccsc2)o1)c1cccs1 ZINC000030859400 564385499 /nfs/dbraw/zinc/38/54/99/564385499.db2.gz ZIFHXPXAQOVRJP-CYBMUJFWSA-N 0 1 376.507 3.211 20 0 GGADMN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(Br)o1 ZINC000030973572 564385616 /nfs/dbraw/zinc/38/56/16/564385616.db2.gz BIMFPFHIMAPDRT-UHFFFAOYSA-N 0 1 377.238 3.160 20 0 GGADMN Cc1cccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1I ZINC000121760529 564385713 /nfs/dbraw/zinc/38/57/13/564385713.db2.gz UKQDFMSAGXWLNC-UHFFFAOYSA-N 0 1 394.172 3.230 20 0 GGADMN CCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000121813145 564387324 /nfs/dbraw/zinc/38/73/24/564387324.db2.gz AHCACIVIXLKLLB-UHFFFAOYSA-N 0 1 382.869 3.328 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)COc2cccc(Br)c2)cc1F ZINC000121796816 564387747 /nfs/dbraw/zinc/38/77/47/564387747.db2.gz BNVBGCKYKFJGPS-UHFFFAOYSA-N 0 1 395.272 3.345 20 0 GGADMN CSc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000121876040 564390729 /nfs/dbraw/zinc/39/07/29/564390729.db2.gz FIJPLPRBGFSWPS-LBPRGKRZSA-N 0 1 390.380 3.329 20 0 GGADMN O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cc(Cl)ccc1Cl ZINC000031776548 564392461 /nfs/dbraw/zinc/39/24/61/564392461.db2.gz AFBMDIYGUCQKCI-UHFFFAOYSA-N 0 1 383.260 3.434 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)NCC2(N3CCSCC3)CCCC2)s1 ZINC000031960059 564395019 /nfs/dbraw/zinc/39/50/19/564395019.db2.gz GVXZJGUZKKGBJB-UHFFFAOYSA-N 0 1 380.579 3.497 20 0 GGADMN CC(C)(O)CN1CCN(CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000121984963 564395484 /nfs/dbraw/zinc/39/54/84/564395484.db2.gz BTOJIHWEYOJFBZ-UHFFFAOYSA-N 0 1 379.957 3.369 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1F ZINC000032087292 564396012 /nfs/dbraw/zinc/39/60/12/564396012.db2.gz LMZXTPUVNYBZAT-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000032270563 564396437 /nfs/dbraw/zinc/39/64/37/564396437.db2.gz SEPDPBIWKANLSQ-OAHLLOKOSA-N 0 1 394.313 3.017 20 0 GGADMN NC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032096931 564396509 /nfs/dbraw/zinc/39/65/09/564396509.db2.gz HCINJQNIBVOFNO-UHFFFAOYSA-N 0 1 392.786 3.187 20 0 GGADMN C[N@@H+]1Cc2ccc(NC(=O)C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc2C1 ZINC000122045273 564398417 /nfs/dbraw/zinc/39/84/17/564398417.db2.gz XOUKHTMWMGQWDQ-UHFFFAOYSA-N 0 1 380.231 3.222 20 0 GGADMN C[N@H+]1Cc2ccc(NC(=O)C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc2C1 ZINC000122045273 564398421 /nfs/dbraw/zinc/39/84/21/564398421.db2.gz XOUKHTMWMGQWDQ-UHFFFAOYSA-N 0 1 380.231 3.222 20 0 GGADMN CC[C@@H](CNC(=O)c1cncc(Br)c1)N1CCc2ccccc2C1 ZINC000032445881 564400655 /nfs/dbraw/zinc/40/06/55/564400655.db2.gz HODOYKHEXGLYHF-SFHVURJKSA-N 0 1 388.309 3.411 20 0 GGADMN CSc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(Cl)cc1Cl ZINC000122121713 564401160 /nfs/dbraw/zinc/40/11/60/564401160.db2.gz YHIDPNIZBQTNDD-NSHDSACASA-N 0 1 376.353 3.081 20 0 GGADMN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cn2)n1 ZINC000032595589 564403595 /nfs/dbraw/zinc/40/35/95/564403595.db2.gz DNBGKVCKSNVUDY-UHFFFAOYSA-N 0 1 380.832 3.477 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000122193375 564403873 /nfs/dbraw/zinc/40/38/73/564403873.db2.gz MGLWFUHAJLALOZ-HNNXBMFYSA-N 0 1 386.367 3.458 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000122207648 564403982 /nfs/dbraw/zinc/40/39/82/564403982.db2.gz WJIBKUGVMQTVNP-UHFFFAOYSA-N 0 1 390.280 3.391 20 0 GGADMN O=C(NCCc1ccc(Br)s1)c1c[nH]c2ccccc2c1=O ZINC000032925267 564407553 /nfs/dbraw/zinc/40/75/53/564407553.db2.gz NVTHRLHSQAADKU-UHFFFAOYSA-N 0 1 377.263 3.325 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(I)c1 ZINC000122304225 564407731 /nfs/dbraw/zinc/40/77/31/564407731.db2.gz IIYMVLTUBLACTI-UHFFFAOYSA-N 0 1 389.214 3.101 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000033242835 564412811 /nfs/dbraw/zinc/41/28/11/564412811.db2.gz SEBFPASTQWVXDS-MCIONIFRSA-N 0 1 389.323 3.376 20 0 GGADMN COCCCCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000122403106 564412990 /nfs/dbraw/zinc/41/29/90/564412990.db2.gz JTXZRKQOUVJFOY-UHFFFAOYSA-N 0 1 386.470 3.443 20 0 GGADMN CN(C)[C@H](CNC(=O)CSc1ccc2c(c1)OCCO2)c1cccs1 ZINC000033471576 564413258 /nfs/dbraw/zinc/41/32/58/564413258.db2.gz ILXJZCNHXRGBRS-CQSZACIVSA-N 0 1 378.519 3.031 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000122487175 564416532 /nfs/dbraw/zinc/41/65/32/564416532.db2.gz JEKDDLHJARPPKH-BETUJISGSA-N 0 1 390.285 3.176 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000122487175 564416537 /nfs/dbraw/zinc/41/65/37/564416537.db2.gz JEKDDLHJARPPKH-BETUJISGSA-N 0 1 390.285 3.176 20 0 GGADMN CC(C)CCn1ccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)n1 ZINC000122491644 564416729 /nfs/dbraw/zinc/41/67/29/564416729.db2.gz HUNDCHNCKRATRB-UHFFFAOYSA-N 0 1 384.889 3.206 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NCCNc1ncc(Cl)cc1Cl ZINC000122540868 564418317 /nfs/dbraw/zinc/41/83/17/564418317.db2.gz HEBXUUYIJNSCMI-GFCCVEGCSA-N 0 1 388.320 3.252 20 0 GGADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000036664230 564418513 /nfs/dbraw/zinc/41/85/13/564418513.db2.gz SZGQFYHLMDSHAD-HNNXBMFYSA-N 0 1 375.266 3.159 20 0 GGADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000036664230 564418517 /nfs/dbraw/zinc/41/85/17/564418517.db2.gz SZGQFYHLMDSHAD-HNNXBMFYSA-N 0 1 375.266 3.159 20 0 GGADMN COc1ccc(Br)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000036663809 564418528 /nfs/dbraw/zinc/41/85/28/564418528.db2.gz ZQIUIRXQGOHDPR-OAHLLOKOSA-N 0 1 389.293 3.462 20 0 GGADMN CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000122627507 564421389 /nfs/dbraw/zinc/42/13/89/564421389.db2.gz LIFNAGPULOZMGF-INIZCTEOSA-N 0 1 386.993 3.205 20 0 GGADMN COc1ccc2nc(SCc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000122657035 564422274 /nfs/dbraw/zinc/42/22/74/564422274.db2.gz ILEHZOVWHAAZQS-UHFFFAOYSA-N 0 1 377.491 3.114 20 0 GGADMN CN(C)[C@@H](CNC(=O)COCc1nc2ccccc2s1)c1cccs1 ZINC000039519307 564423703 /nfs/dbraw/zinc/42/37/03/564423703.db2.gz WGLKAFWXGUYWRQ-AWEZNQCLSA-N 0 1 375.519 3.294 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000122783727 564427900 /nfs/dbraw/zinc/42/79/00/564427900.db2.gz UGNXRRBLLTVWDN-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NCCOc1cccc(Br)c1 ZINC000122816073 564428439 /nfs/dbraw/zinc/42/84/39/564428439.db2.gz BMZKCNROKMQZQI-CQSZACIVSA-N 0 1 398.322 3.280 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000122831229 564428513 /nfs/dbraw/zinc/42/85/13/564428513.db2.gz YOQUELQBQQONFJ-UHFFFAOYSA-N 0 1 399.295 3.405 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 ZINC000122822063 564428782 /nfs/dbraw/zinc/42/87/82/564428782.db2.gz RMZAFMYFQJUSRU-LJQANCHMSA-N 0 1 394.337 3.357 20 0 GGADMN C[C@H](c1ccccc1Br)N(C)CCCN1C(=O)NC(C)(C)C1=O ZINC000122888629 564431079 /nfs/dbraw/zinc/43/10/79/564431079.db2.gz WKRKXJQIAJIWEA-GFCCVEGCSA-N 0 1 382.302 3.162 20 0 GGADMN COc1cc(CNCc2cncc(C)c2)cc(I)c1OC ZINC000122946871 564433609 /nfs/dbraw/zinc/43/36/09/564433609.db2.gz ORUDBCYGBLABPD-UHFFFAOYSA-N 0 1 398.244 3.302 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000041576957 564434787 /nfs/dbraw/zinc/43/47/87/564434787.db2.gz FCLVBWQXBLCGLQ-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN O=C(Nc1cc2ccc(Br)cn2n1)c1cccc(-c2nnc[nH]2)c1 ZINC000513743507 564437573 /nfs/dbraw/zinc/43/75/73/564437573.db2.gz XUGFVZJZUGPKJM-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN O=C(Nc1cc2ccc(Br)cn2n1)c1ccc(-c2nnc[nH]2)cc1 ZINC000513763166 564438407 /nfs/dbraw/zinc/43/84/07/564438407.db2.gz YEZHHPJFVFNGIW-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN O=C(c1ccc(F)cc1O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000123215062 564442137 /nfs/dbraw/zinc/44/21/37/564442137.db2.gz CGAIMYCSGJWGJB-UHFFFAOYSA-N 0 1 399.285 3.313 20 0 GGADMN Brc1cc(CNCc2ccnc(N3CCCC3)c2)cc2c1OCO2 ZINC000042207654 564443443 /nfs/dbraw/zinc/44/34/43/564443443.db2.gz XPJAWWRAVAZNHH-UHFFFAOYSA-N 0 1 390.281 3.463 20 0 GGADMN O=C(CCc1cc(Br)ccc1F)N1CCC(c2nc[nH]n2)CC1 ZINC000123299454 564445209 /nfs/dbraw/zinc/44/52/09/564445209.db2.gz VFARDAQIECJVHS-UHFFFAOYSA-N 0 1 381.249 3.045 20 0 GGADMN CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000042340999 564445764 /nfs/dbraw/zinc/44/57/64/564445764.db2.gz GBOBXGMWVGQWRS-UHFFFAOYSA-N 0 1 393.259 3.409 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000123399544 564447709 /nfs/dbraw/zinc/44/77/09/564447709.db2.gz ZHJKYJNGUGOZMV-UHFFFAOYSA-N 0 1 381.299 3.195 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000123399544 564447712 /nfs/dbraw/zinc/44/77/12/564447712.db2.gz ZHJKYJNGUGOZMV-UHFFFAOYSA-N 0 1 381.299 3.195 20 0 GGADMN COc1ccsc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000123405457 564448288 /nfs/dbraw/zinc/44/82/88/564448288.db2.gz JSFASYBQWZAMFZ-GDBMZVCRSA-N 0 1 380.535 3.088 20 0 GGADMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)c4cccnc34)cc2o1 ZINC000042676948 564448688 /nfs/dbraw/zinc/44/86/88/564448688.db2.gz UWMFLNGZIAFPCY-UHFFFAOYSA-N 0 1 375.793 3.124 20 0 GGADMN CC(C)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N1CCOCC1 ZINC000042988065 564451609 /nfs/dbraw/zinc/45/16/09/564451609.db2.gz ADLBYOZEJMGDGX-AWEZNQCLSA-N 0 1 380.901 3.101 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCN(CC(C)C)CC2)cc1OC ZINC000043008165 564452518 /nfs/dbraw/zinc/45/25/18/564452518.db2.gz NUSGORQEEMFXME-UHFFFAOYSA-N 0 1 399.329 3.270 20 0 GGADMN CC(C)(N)c1noc(COc2c(Br)cccc2Br)n1 ZINC000043403991 564457937 /nfs/dbraw/zinc/45/79/37/564457937.db2.gz LDASFWBZDZNABN-UHFFFAOYSA-N 0 1 391.063 3.367 20 0 GGADMN Cc1cc(S(=O)(=O)N(CCN(C)C)C2CCCC2)sc1Br ZINC000123700091 564458334 /nfs/dbraw/zinc/45/83/34/564458334.db2.gz PSNOJWKRXUODOB-UHFFFAOYSA-N 0 1 395.388 3.314 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1 ZINC000123913843 564465669 /nfs/dbraw/zinc/46/56/69/564465669.db2.gz MXLIEGSYRVVMPH-UHFFFAOYSA-N 0 1 384.255 3.049 20 0 GGADMN CN1CC[C@@H](CNC(=O)[C@@H]2CSCCS2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123933283 564466165 /nfs/dbraw/zinc/46/61/65/564466165.db2.gz YHURWUIYUBXBLC-RCBQFDQVSA-N 0 1 388.961 3.437 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000044332931 564466676 /nfs/dbraw/zinc/46/66/76/564466676.db2.gz NXPLHZABQPAULM-OAHLLOKOSA-N 0 1 394.313 3.017 20 0 GGADMN CC(C)(O)[C@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000124005996 564469170 /nfs/dbraw/zinc/46/91/70/564469170.db2.gz QFAUSOHMDHGXSW-GFCCVEGCSA-N 0 1 378.270 3.215 20 0 GGADMN COc1cccc(SCC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000044521425 564469897 /nfs/dbraw/zinc/46/98/97/564469897.db2.gz YUFOQFOULGWYGL-UHFFFAOYSA-N 0 1 380.579 3.265 20 0 GGADMN COc1ccc(CCC(=O)N2CCN(CC(C)C)CC2)cc1Br ZINC000044601539 564470953 /nfs/dbraw/zinc/47/09/53/564470953.db2.gz AYOLGLWUQQXDDN-UHFFFAOYSA-N 0 1 383.330 3.191 20 0 GGADMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cnn(C)c3)C2=O)ccc1Br ZINC000124112871 564472036 /nfs/dbraw/zinc/47/20/36/564472036.db2.gz GCRXDWLWYLIOBP-SUMWQHHRSA-N 0 1 391.313 3.337 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124178574 564473786 /nfs/dbraw/zinc/47/37/86/564473786.db2.gz YUGXMAPACLUBMF-LBPRGKRZSA-N 0 1 382.869 3.423 20 0 GGADMN CSc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1NC(C)=O ZINC000045016973 564476387 /nfs/dbraw/zinc/47/63/87/564476387.db2.gz PWHWGNQVOZJYCP-INIZCTEOSA-N 0 1 377.535 3.461 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2cccc(Br)c2)N(C)C)c1 ZINC000124337375 564478912 /nfs/dbraw/zinc/47/89/12/564478912.db2.gz QRKOKSLGPVGNDX-GOSISDBHSA-N 0 1 391.309 3.419 20 0 GGADMN O=C(CCOCC(F)(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045299540 564481522 /nfs/dbraw/zinc/48/15/22/564481522.db2.gz FTVKBSOZQFDHSR-UHFFFAOYSA-N 0 1 378.822 3.390 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SCCC(N)=O)c1 ZINC000124448582 564482958 /nfs/dbraw/zinc/48/29/58/564482958.db2.gz YYLHPZJHKQZUGK-UHFFFAOYSA-N 0 1 384.910 3.417 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000045454418 564484244 /nfs/dbraw/zinc/48/42/44/564484244.db2.gz YICYQBUVXIJLAH-OKILXGFUSA-N 0 1 384.318 3.378 20 0 GGADMN CN(C)[C@H](CNC(=O)CSc1ccc2c(c1)OCCO2)c1ccsc1 ZINC000045443883 564484288 /nfs/dbraw/zinc/48/42/88/564484288.db2.gz QPRFMUAEOJMQPG-OAHLLOKOSA-N 0 1 378.519 3.031 20 0 GGADMN C[C@@H]1CNCCN1C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000124510079 564485074 /nfs/dbraw/zinc/48/50/74/564485074.db2.gz UQKXOHGCTWKPJB-GFCCVEGCSA-N 0 1 379.254 3.055 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000045538847 564485176 /nfs/dbraw/zinc/48/51/76/564485176.db2.gz CFTJDBDTWOWSNX-GFCCVEGCSA-N 0 1 379.302 3.344 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000045633860 564487035 /nfs/dbraw/zinc/48/70/35/564487035.db2.gz YODKXWTWXLSKFK-ZNMIVQPWSA-N 0 1 398.345 3.309 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)Nc1nnc(C2CC2)s1 ZINC000515779590 564487541 /nfs/dbraw/zinc/48/75/41/564487541.db2.gz KSUMXYFQEPGWLN-UHFFFAOYSA-N 0 1 393.270 3.376 20 0 GGADMN O=C(COc1ccccc1Br)NCCc1nc2ccc(F)cc2[nH]1 ZINC000124717681 564490304 /nfs/dbraw/zinc/49/03/04/564490304.db2.gz SVLZUHBODDHILM-UHFFFAOYSA-N 0 1 392.228 3.202 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046048447 564493046 /nfs/dbraw/zinc/49/30/46/564493046.db2.gz UOZUEBCGNGNQIJ-SFHVURJKSA-N 0 1 382.957 3.287 20 0 GGADMN COc1ccccc1CN(C)C[C@H](O)COc1ccc(Br)cc1 ZINC000046343876 564501476 /nfs/dbraw/zinc/50/14/76/564501476.db2.gz QWIKXJJTPDEKMG-INIZCTEOSA-N 0 1 380.282 3.329 20 0 GGADMN COc1ccc(COC[C@H](O)CN(C)Cc2ccc(Cl)s2)cc1OC ZINC000046438123 564502757 /nfs/dbraw/zinc/50/27/57/564502757.db2.gz YJDIJMGRZDWKOB-CQSZACIVSA-N 0 1 385.913 3.428 20 0 GGADMN CN(C(=O)CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000125110389 564503716 /nfs/dbraw/zinc/50/37/16/564503716.db2.gz WYJAEDWNNPTYRE-UHFFFAOYSA-N 0 1 384.307 3.265 20 0 GGADMN Cc1cc(NC(=O)N(C)Cc2nnc[nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000481146681 564504002 /nfs/dbraw/zinc/50/40/02/564504002.db2.gz XPSIMYLNYBWOIN-UHFFFAOYSA-N 0 1 380.239 3.270 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000125135983 564504737 /nfs/dbraw/zinc/50/47/37/564504737.db2.gz DCOQFOQRSFTIEI-DAYGRLMNSA-N 0 1 395.341 3.092 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000046767065 564507130 /nfs/dbraw/zinc/50/71/30/564507130.db2.gz TXGPUGIEGWCBGZ-HUUCEWRRSA-N 0 1 397.357 3.342 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)C(C)(C)c2ccc(Br)cc2)C1 ZINC000046742368 564507430 /nfs/dbraw/zinc/50/74/30/564507430.db2.gz HPEHJDOKQAGWFL-QGZVFWFLSA-N 0 1 397.357 3.200 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000047326419 564517708 /nfs/dbraw/zinc/51/77/08/564517708.db2.gz GKWMYNPHIIZILJ-UHFFFAOYSA-N 0 1 399.276 3.159 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000047304511 564518337 /nfs/dbraw/zinc/51/83/37/564518337.db2.gz ARUBGKIFJISHHB-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN CN(C)C(=O)c1cccc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1 ZINC000125587166 564519538 /nfs/dbraw/zinc/51/95/38/564519538.db2.gz DGVGMLSNGCFXFC-SFHVURJKSA-N 0 1 391.309 3.316 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2CNc2ncncc2Br)C[C@@H](C)O1 ZINC000481697925 564519696 /nfs/dbraw/zinc/51/96/96/564519696.db2.gz RHLHBDKXSRFHFH-ZIAGYGMSSA-N 0 1 391.313 3.460 20 0 GGADMN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000047383512 564520105 /nfs/dbraw/zinc/52/01/05/564520105.db2.gz WUCCLHRYPLBMKD-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN Cc1nc(-c2cccs2)sc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000047433740 564520324 /nfs/dbraw/zinc/52/03/24/564520324.db2.gz QCTVDUTZAHQCDB-STQMWFEESA-N 0 1 379.551 3.409 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000047423029 564521100 /nfs/dbraw/zinc/52/11/00/564521100.db2.gz NWTIFHXEQMOCIG-UHFFFAOYSA-N 0 1 382.957 3.144 20 0 GGADMN CCc1c(NC(=O)C[C@@H]2COC(=O)C2)[nH]nc1-c1ccc(Br)cc1 ZINC000125655620 564521689 /nfs/dbraw/zinc/52/16/89/564521689.db2.gz IXPVTXASUOKEHF-JTQLQIEISA-N 0 1 392.253 3.293 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)nc2)CC1 ZINC000047553127 564522253 /nfs/dbraw/zinc/52/22/53/564522253.db2.gz YRKUNKXEDXBDCA-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)nc2)CC1 ZINC000047553103 564522865 /nfs/dbraw/zinc/52/28/65/564522865.db2.gz JSTVQEADCLWLRE-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CCOc1cc(Br)c(CC(=O)Nc2nnc(CC)[nH]2)cc1OCC ZINC000125740712 564524631 /nfs/dbraw/zinc/52/46/31/564524631.db2.gz QTIQWTREYBZRLQ-UHFFFAOYSA-N 0 1 397.273 3.108 20 0 GGADMN CCOc1cc(Br)c(CC(=O)Nc2nc(CC)n[nH]2)cc1OCC ZINC000125740712 564524635 /nfs/dbraw/zinc/52/46/35/564524635.db2.gz QTIQWTREYBZRLQ-UHFFFAOYSA-N 0 1 397.273 3.108 20 0 GGADMN C[C@H]1CNCCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000125793738 564526566 /nfs/dbraw/zinc/52/65/66/564526566.db2.gz YEXJFTRETTUPFD-LBPRGKRZSA-N 0 1 379.254 3.055 20 0 GGADMN CC(=O)NCC1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000047772318 564526846 /nfs/dbraw/zinc/52/68/46/564526846.db2.gz XRLDQVPGAGKQCV-GFCCVEGCSA-N 0 1 386.323 3.019 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)c(Cl)cc1F ZINC000125878081 564530244 /nfs/dbraw/zinc/53/02/44/564530244.db2.gz DHCOOVJGYPHHJB-UHFFFAOYSA-N 0 1 391.873 3.300 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Br)cc2Cl)C1 ZINC000048243614 564534444 /nfs/dbraw/zinc/53/44/44/564534444.db2.gz KSNVUHWICPMJNF-CYBMUJFWSA-N 0 1 389.721 3.189 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCNC[C@@H]1C ZINC000126047364 564535071 /nfs/dbraw/zinc/53/50/71/564535071.db2.gz LLRSGOVWTXNLNX-NSHDSACASA-N 0 1 381.307 3.159 20 0 GGADMN CC(C)(C)[NH+]1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000048445559 564540131 /nfs/dbraw/zinc/54/01/31/564540131.db2.gz OWTXNMNFXABKAZ-UHFFFAOYSA-N 0 1 381.361 3.052 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1sccc1Br ZINC000048444174 564540330 /nfs/dbraw/zinc/54/03/30/564540330.db2.gz JCRWXQBYVVTQOW-NSHDSACASA-N 0 1 381.361 3.053 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1sccc1Br ZINC000048444174 564540333 /nfs/dbraw/zinc/54/03/33/564540333.db2.gz JCRWXQBYVVTQOW-NSHDSACASA-N 0 1 381.361 3.053 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1Br ZINC000126210930 564540916 /nfs/dbraw/zinc/54/09/16/564540916.db2.gz UIQNFDAFMRLYFC-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)c1ccc(F)cc1 ZINC000126224658 564541067 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COC(=O)c1cc(S(=O)(=O)Nc2ncc(Br)cc2C)ccc1C ZINC000129587609 564653339 /nfs/dbraw/zinc/65/33/39/564653339.db2.gz XKMUVYMVWJOCAI-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ncc(Br)cc2C)c1 ZINC000129595393 564653641 /nfs/dbraw/zinc/65/36/41/564653641.db2.gz ZRHWEPBCIKSDOU-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN CCc1[nH]nc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1Br ZINC000129601181 564653886 /nfs/dbraw/zinc/65/38/86/564653886.db2.gz UUZCHADXPXSFJH-UHFFFAOYSA-N 0 1 390.241 3.386 20 0 GGADMN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000129605537 564654127 /nfs/dbraw/zinc/65/41/27/564654127.db2.gz CXIDGNAZCPYYOB-UHFFFAOYSA-N 0 1 399.266 3.115 20 0 GGADMN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CC[C@H](N2CC=CC2)C1 ZINC000129654152 564654789 /nfs/dbraw/zinc/65/47/89/564654789.db2.gz PIXIUMPSMMAZRE-AWEZNQCLSA-N 0 1 375.885 3.337 20 0 GGADMN CC(C)(CNC(=O)c1ccncc1Br)N1CCc2ccccc2C1 ZINC000129635522 564655019 /nfs/dbraw/zinc/65/50/19/564655019.db2.gz JKTJUYNKTKXEOX-UHFFFAOYSA-N 0 1 388.309 3.411 20 0 GGADMN CC(C)c1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)cc1 ZINC000057115751 564659908 /nfs/dbraw/zinc/65/99/08/564659908.db2.gz DWLXYVWRAQONJO-UHFFFAOYSA-N 0 1 386.470 3.121 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1Cl ZINC000057120330 564661043 /nfs/dbraw/zinc/66/10/43/564661043.db2.gz MSMFKSPUFAAQDB-UHFFFAOYSA-N 0 1 381.841 3.042 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(F)cc(Br)c1 ZINC000057167623 564662287 /nfs/dbraw/zinc/66/22/87/564662287.db2.gz PWJJYTFKJSKBHT-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1sccc1Br ZINC000057167678 564662696 /nfs/dbraw/zinc/66/26/96/564662696.db2.gz IZZSZWIPDURHOV-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN CN1CCN(CCCSc2nnc(COc3ccc(Cl)cc3)o2)CC1 ZINC000129990984 564666815 /nfs/dbraw/zinc/66/68/15/564666815.db2.gz GLJZRLRUEQYSFT-UHFFFAOYSA-N 0 1 382.917 3.032 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)c1ccccc1NS(C)(=O)=O ZINC000057377950 564666912 /nfs/dbraw/zinc/66/69/12/564666912.db2.gz MRXZYOPPTXUWHE-UHFFFAOYSA-N 0 1 383.267 3.381 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000057435502 564667698 /nfs/dbraw/zinc/66/76/98/564667698.db2.gz NYPVWQYUCVZJQV-UHFFFAOYSA-N 0 1 396.881 3.119 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CC=CCC2)CC1 ZINC000057468941 564668612 /nfs/dbraw/zinc/66/86/12/564668612.db2.gz ULDXWBWSUKWYGM-AWEZNQCLSA-N 0 1 378.314 3.496 20 0 GGADMN CC[C@H](C)N(C)CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000130122393 564669841 /nfs/dbraw/zinc/66/98/41/564669841.db2.gz PIAXIINPWOTACZ-AWEZNQCLSA-N 0 1 380.535 3.041 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](c2ccco2)N(C)C)c(OC)c1 ZINC000130180269 564672283 /nfs/dbraw/zinc/67/22/83/564672283.db2.gz UEUKKCCNWYTMCR-HNNXBMFYSA-N 0 1 383.286 3.452 20 0 GGADMN CC(C)(NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000057846689 564676356 /nfs/dbraw/zinc/67/63/56/564676356.db2.gz AHBLVSIOEIUDIR-UHFFFAOYSA-N 0 1 380.897 3.207 20 0 GGADMN CCn1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cn1 ZINC000130375087 564679107 /nfs/dbraw/zinc/67/91/07/564679107.db2.gz PRROMABBKQOMFU-UHFFFAOYSA-N 0 1 382.642 3.259 20 0 GGADMN O=C(NCCNc1ncc(Cl)cc1Cl)c1c[nH]c2ccccc2c1=O ZINC000058350858 564682011 /nfs/dbraw/zinc/68/20/11/564682011.db2.gz JRTMLGIMDVROQF-UHFFFAOYSA-N 0 1 377.231 3.072 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cc(Br)c[nH]2)N2CCCC2)cc1 ZINC000058348265 564682378 /nfs/dbraw/zinc/68/23/78/564682378.db2.gz HAXPYAIUKYAXHA-QGZVFWFLSA-N 0 1 392.297 3.353 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)c(Cl)c1Cl ZINC000130482992 564683160 /nfs/dbraw/zinc/68/31/60/564683160.db2.gz FMNYBCCOIVGETQ-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccncc1 ZINC000058379167 564683204 /nfs/dbraw/zinc/68/32/04/564683204.db2.gz IQWQNQRPXHHKNX-UHFFFAOYSA-N 0 1 377.422 3.335 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1 ZINC000058495364 564684044 /nfs/dbraw/zinc/68/40/44/564684044.db2.gz AHNQQCJTLPZXFB-UHFFFAOYSA-N 0 1 381.841 3.058 20 0 GGADMN CNC(=O)[C@@H](C)CN(C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000130603016 564686803 /nfs/dbraw/zinc/68/68/03/564686803.db2.gz DZNOTTURNJBNFW-NSHDSACASA-N 0 1 382.327 3.387 20 0 GGADMN CCCN(CC(=O)NC)Cc1ccc(Br)c(Br)c1 ZINC000130600938 564687188 /nfs/dbraw/zinc/68/71/88/564687188.db2.gz RYBCJBZUEYKYFL-UHFFFAOYSA-N 0 1 378.108 3.170 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CN(C)C[C@@H](C)O ZINC000130643576 564688074 /nfs/dbraw/zinc/68/80/74/564688074.db2.gz OJEJJPGLVWEOAS-SECBINFHSA-N 0 1 381.108 3.423 20 0 GGADMN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1ccc(F)c(Br)c1 ZINC000130623998 564688205 /nfs/dbraw/zinc/68/82/05/564688205.db2.gz IIUTXGXXCGCAFC-UHFFFAOYSA-N 0 1 398.213 3.439 20 0 GGADMN NC(=O)[C@@H](NCCc1nc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000130692312 564689460 /nfs/dbraw/zinc/68/94/60/564689460.db2.gz AJOLFDBIAZZTPH-INIZCTEOSA-N 0 1 394.338 3.143 20 0 GGADMN C[C@H](NC(=O)c1cnn[nH]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000130772172 564691552 /nfs/dbraw/zinc/69/15/52/564691552.db2.gz RMRKSBUPMXZLBA-QMMMGPOBSA-N 0 1 378.255 3.182 20 0 GGADMN NC(=O)[C@H]1CCCC[C@@H]1NCc1ncc(-c2cccc(Br)c2)o1 ZINC000130792755 564692565 /nfs/dbraw/zinc/69/25/65/564692565.db2.gz IETCYNHECFWXFW-KBPBESRZSA-N 0 1 378.270 3.238 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@H]1NCc1ncc(-c2cccc(Br)c2)o1 ZINC000130792986 564692595 /nfs/dbraw/zinc/69/25/95/564692595.db2.gz IETCYNHECFWXFW-ZIAGYGMSSA-N 0 1 378.270 3.238 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(F)cc1Cl ZINC000059746209 564693331 /nfs/dbraw/zinc/69/33/31/564693331.db2.gz WAPVPLBYGLLZPC-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN O[C@H](COC[C@@H]1CCCO1)CN1CCC[C@H]1c1cccc(Br)c1 ZINC000059376232 564693494 /nfs/dbraw/zinc/69/34/94/564693494.db2.gz KPKYIIPPGOCFSS-BZSNNMDCSA-N 0 1 384.314 3.143 20 0 GGADMN NC(=O)[C@H]1CCCC[C@@H]1NCc1ncc(-c2ccc(Br)cc2)o1 ZINC000130916340 564695536 /nfs/dbraw/zinc/69/55/36/564695536.db2.gz QEPPLPASKKYLHZ-KBPBESRZSA-N 0 1 378.270 3.238 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ncc(-c2ccc(Br)cc2)o1 ZINC000130916773 564695748 /nfs/dbraw/zinc/69/57/48/564695748.db2.gz QEPPLPASKKYLHZ-KGLIPLIRSA-N 0 1 378.270 3.238 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@H]1NCc1ncc(-c2ccc(Br)cc2)o1 ZINC000130916569 564696077 /nfs/dbraw/zinc/69/60/77/564696077.db2.gz QEPPLPASKKYLHZ-ZIAGYGMSSA-N 0 1 378.270 3.238 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000060343970 564696628 /nfs/dbraw/zinc/69/66/28/564696628.db2.gz LLYDOTJZZJTFRH-UHFFFAOYSA-N 0 1 388.269 3.029 20 0 GGADMN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000060371136 564697671 /nfs/dbraw/zinc/69/76/71/564697671.db2.gz BLLKJGPGVPENLU-UHFFFAOYSA-N 0 1 381.816 3.067 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CCNCc1c(Cl)cnn1C ZINC000131060897 564699665 /nfs/dbraw/zinc/69/96/65/564699665.db2.gz LFBXMHRZBKFOKR-UHFFFAOYSA-N 0 1 385.693 3.263 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC000131099407 564700493 /nfs/dbraw/zinc/70/04/93/564700493.db2.gz LMURXSXYQQQLOO-UHFFFAOYSA-N 0 1 378.219 3.271 20 0 GGADMN C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCSCC1 ZINC000131115191 564701407 /nfs/dbraw/zinc/70/14/07/564701407.db2.gz SKPRZEMTQMVMDY-MAUKXSAKSA-N 0 1 381.973 3.030 20 0 GGADMN C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCSCC1 ZINC000131115018 564701650 /nfs/dbraw/zinc/70/16/50/564701650.db2.gz SKPRZEMTQMVMDY-QAPCUYQASA-N 0 1 381.973 3.030 20 0 GGADMN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000131140591 564702569 /nfs/dbraw/zinc/70/25/69/564702569.db2.gz HPHVZOIAWASXJD-HNNXBMFYSA-N 0 1 394.269 3.282 20 0 GGADMN CNC(=O)CNCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000061027792 564704091 /nfs/dbraw/zinc/70/40/91/564704091.db2.gz QNIUBRLDHUSJHY-UHFFFAOYSA-N 0 1 399.292 3.137 20 0 GGADMN NC(=O)[C@H]1CCCC[C@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000131198415 564704497 /nfs/dbraw/zinc/70/44/97/564704497.db2.gz KHNVMTIBXHGUKU-LSDHHAIUSA-N 0 1 378.270 3.238 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)CSc1nncs1 ZINC000061307403 564706069 /nfs/dbraw/zinc/70/60/69/564706069.db2.gz NFQSDQHLCBDGGD-UHFFFAOYSA-N 0 1 380.564 3.126 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)[nH]1 ZINC000131244755 564706442 /nfs/dbraw/zinc/70/64/42/564706442.db2.gz JRGAYNQTOMNAJB-CYBMUJFWSA-N 0 1 380.901 3.319 20 0 GGADMN O=C(c1ccc(Br)c(F)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000061647368 564708362 /nfs/dbraw/zinc/70/83/62/564708362.db2.gz VSQFHFWHHHVPGC-UHFFFAOYSA-N 0 1 399.304 3.163 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000061781790 564708847 /nfs/dbraw/zinc/70/88/47/564708847.db2.gz PVIOEYYWFWINAZ-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CN[C@H]1CCOC1 ZINC000131375357 564709049 /nfs/dbraw/zinc/70/90/49/564709049.db2.gz LYHPSMHDGFWADO-NSHDSACASA-N 0 1 379.092 3.489 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000061781803 564709638 /nfs/dbraw/zinc/70/96/38/564709638.db2.gz FZMUZMGJPVBEOC-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000131529559 564714291 /nfs/dbraw/zinc/71/42/91/564714291.db2.gz FBJIUZZWSUNITI-UHFFFAOYSA-N 0 1 376.806 3.296 20 0 GGADMN O=C1[C@H](NCc2cc3c(c(Br)c2)OCO3)CCN1C1CCCCC1 ZINC000131589744 564717443 /nfs/dbraw/zinc/71/74/43/564717443.db2.gz WHMZYWNYRYGEHU-OAHLLOKOSA-N 0 1 395.297 3.201 20 0 GGADMN O=C1[C@@H](NCc2cc3c(c(Br)c2)OCO3)CCN1C1CCCCC1 ZINC000131589956 564717679 /nfs/dbraw/zinc/71/76/79/564717679.db2.gz WHMZYWNYRYGEHU-HNNXBMFYSA-N 0 1 395.297 3.201 20 0 GGADMN Cc1ccn2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)nc2c1 ZINC000063497242 564717743 /nfs/dbraw/zinc/71/77/43/564717743.db2.gz LRDKWPBUOURVHX-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GGADMN Nc1cc(N)nc(SCc2cc(Br)ccc2OC(F)F)n1 ZINC000063561060 564718546 /nfs/dbraw/zinc/71/85/46/564718546.db2.gz YOKKDOVVCNWHMM-UHFFFAOYSA-N 0 1 377.214 3.297 20 0 GGADMN O=C(NCc1cc2c(c(Br)c1)OCO2)c1cc(F)cc2nc[nH]c21 ZINC000063819688 564723598 /nfs/dbraw/zinc/72/35/98/564723598.db2.gz SQHVTBYUYFMNBU-UHFFFAOYSA-N 0 1 392.184 3.123 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl ZINC000131851135 564726332 /nfs/dbraw/zinc/72/63/32/564726332.db2.gz XNVLLJNRJLULIS-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN CSc1ccc(NC(=O)CN2CCN(CCc3cccs3)CC2)cc1 ZINC000064352005 564727781 /nfs/dbraw/zinc/72/77/81/564727781.db2.gz RMDHXXWSSSASFG-UHFFFAOYSA-N 0 1 375.563 3.269 20 0 GGADMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000064374891 564728054 /nfs/dbraw/zinc/72/80/54/564728054.db2.gz JTGPFTVAMPWHQR-UHFFFAOYSA-N 0 1 384.866 3.308 20 0 GGADMN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2cc(Cl)ccc2OC)cc1 ZINC000131924982 564729213 /nfs/dbraw/zinc/72/92/13/564729213.db2.gz LXRMRVKZIYXCHG-CYBMUJFWSA-N 0 1 382.913 3.249 20 0 GGADMN Cc1nc2cc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)ccc2o1 ZINC000064486872 564730417 /nfs/dbraw/zinc/73/04/17/564730417.db2.gz CZCWBOCPANVFQV-UHFFFAOYSA-N 0 1 379.825 3.413 20 0 GGADMN CC(C)Cc1nnc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)s1 ZINC000064489930 564730910 /nfs/dbraw/zinc/73/09/10/564730910.db2.gz WNSXZKCCIPFSTE-UHFFFAOYSA-N 0 1 388.902 3.014 20 0 GGADMN CC(C)(C)c1ncc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cn1 ZINC000064496635 564731098 /nfs/dbraw/zinc/73/10/98/564731098.db2.gz PPFFAHGPRPMPOU-UHFFFAOYSA-N 0 1 382.873 3.051 20 0 GGADMN CCCCc1nnc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)s1 ZINC000064489931 564731171 /nfs/dbraw/zinc/73/11/71/564731171.db2.gz DQMUSCMGHZYLKH-UHFFFAOYSA-N 0 1 388.902 3.158 20 0 GGADMN COc1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Br ZINC000132005618 564731218 /nfs/dbraw/zinc/73/12/18/564731218.db2.gz NMNDAJSILYRYCK-PBHICJAKSA-N 0 1 394.313 3.137 20 0 GGADMN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)c1cccc2[nH]ncc21 ZINC000064534251 564731611 /nfs/dbraw/zinc/73/16/11/564731611.db2.gz ZYHUECPBONPUGI-UHFFFAOYSA-N 0 1 397.236 3.218 20 0 GGADMN CSc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000064597137 564732256 /nfs/dbraw/zinc/73/22/56/564732256.db2.gz LHCRRQATIBUXQV-UHFFFAOYSA-N 0 1 382.526 3.300 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000064599493 564732605 /nfs/dbraw/zinc/73/26/05/564732605.db2.gz CRFBOVHATOJXGC-CYBMUJFWSA-N 0 1 386.489 3.217 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CNCc1cnc(C(C)C)s1 ZINC000132063625 564733032 /nfs/dbraw/zinc/73/30/32/564733032.db2.gz ZJADKFMPHNYFRO-UHFFFAOYSA-N 0 1 381.567 3.384 20 0 GGADMN CSc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000064597045 564733036 /nfs/dbraw/zinc/73/30/36/564733036.db2.gz JLQLQNBVHUJHQU-UHFFFAOYSA-N 0 1 382.526 3.300 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)n1 ZINC000064638864 564733860 /nfs/dbraw/zinc/73/38/60/564733860.db2.gz GWKTUDRVGJIEAF-TZMCWYRMSA-N 0 1 386.279 3.304 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000064938129 564736124 /nfs/dbraw/zinc/73/61/24/564736124.db2.gz CGRVHYOPCIXRRZ-SNVBAGLBSA-N 0 1 386.832 3.253 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)s1 ZINC000064954716 564737734 /nfs/dbraw/zinc/73/77/34/564737734.db2.gz AZXJVPDADBLEQQ-UHFFFAOYSA-N 0 1 395.388 3.252 20 0 GGADMN Cc1ccc(NC(=O)CN[C@]2(CO)CCc3ccccc32)c(Br)c1 ZINC000132297271 564738334 /nfs/dbraw/zinc/73/83/34/564738334.db2.gz WOGWKHQFRSZTDI-IBGZPJMESA-N 0 1 389.293 3.120 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(Cl)s2)C1 ZINC000064995611 564738856 /nfs/dbraw/zinc/73/88/56/564738856.db2.gz KYCIDJOGCBMCHS-KGLIPLIRSA-N 0 1 385.961 3.035 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCCc1cc(Br)ccc1F ZINC000065279037 564742115 /nfs/dbraw/zinc/74/21/15/564742115.db2.gz DCLWJBRJANMEFX-UHFFFAOYSA-N 0 1 383.265 3.094 20 0 GGADMN O=C(Nc1nnc(C(F)(F)F)s1)N1CCN(CC2CCCCC2)CC1 ZINC000065358843 564742629 /nfs/dbraw/zinc/74/26/29/564742629.db2.gz GRMWHNOCUACPNO-UHFFFAOYSA-N 0 1 377.436 3.287 20 0 GGADMN COCCN1CC[C@@H](Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1 ZINC000489547090 564743655 /nfs/dbraw/zinc/74/36/55/564743655.db2.gz GVAZTVSNDLZCLC-CQSZACIVSA-N 0 1 377.901 3.244 20 0 GGADMN COCCN1CC[C@H](Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1 ZINC000489547088 564743917 /nfs/dbraw/zinc/74/39/17/564743917.db2.gz GVAZTVSNDLZCLC-AWEZNQCLSA-N 0 1 377.901 3.244 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3O)cc2C[C@@H]1C ZINC000132456150 564743926 /nfs/dbraw/zinc/74/39/26/564743926.db2.gz QVJKAEDKJXOFHG-JTQLQIEISA-N 0 1 380.853 3.144 20 0 GGADMN Cc1ncsc1CN[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000132471161 564745061 /nfs/dbraw/zinc/74/50/61/564745061.db2.gz ZWRKLRSRKNGMEU-AWEZNQCLSA-N 0 1 379.551 3.477 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC(C)(C)O1 ZINC000065609796 564745732 /nfs/dbraw/zinc/74/57/32/564745732.db2.gz QTTLUPGZDWMIRX-LLVKDONJSA-N 0 1 378.270 3.479 20 0 GGADMN Cc1cc(CNCCS(=O)(=O)c2ccc(F)cc2)ccc1Br ZINC000132570579 564746824 /nfs/dbraw/zinc/74/68/24/564746824.db2.gz GIOIOUWWQHESMK-UHFFFAOYSA-N 0 1 386.286 3.460 20 0 GGADMN O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ccc2cc(Br)ccc2n1 ZINC000527565183 564747422 /nfs/dbraw/zinc/74/74/22/564747422.db2.gz FJDCSQGTAMSXRU-YWPYICTPSA-N 0 1 388.269 3.082 20 0 GGADMN O=C(Cc1c[nH]c2cccc(Br)c12)Nc1nc(-c2ccccn2)n[nH]1 ZINC000132615300 564747635 /nfs/dbraw/zinc/74/76/35/564747635.db2.gz RIZNRJKHVBFUQJ-UHFFFAOYSA-N 0 1 397.236 3.292 20 0 GGADMN O=C(NCCc1ccc(F)c(Br)c1)c1c[nH]c2ccccc2c1=O ZINC000065729247 564748263 /nfs/dbraw/zinc/74/82/63/564748263.db2.gz MXZCTHNNWUDSMM-UHFFFAOYSA-N 0 1 389.224 3.402 20 0 GGADMN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1noc2c1COCC2 ZINC000527606026 564749120 /nfs/dbraw/zinc/74/91/20/564749120.db2.gz RLXFENYXPGQXDD-UHFFFAOYSA-N 0 1 376.825 3.095 20 0 GGADMN CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000065833363 564750252 /nfs/dbraw/zinc/75/02/52/564750252.db2.gz NWUTVNLBXKVBKF-UHFFFAOYSA-N 0 1 383.267 3.233 20 0 GGADMN CSCCCNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000132707388 564750699 /nfs/dbraw/zinc/75/06/99/564750699.db2.gz DRBORGFBYNURMH-HNNXBMFYSA-N 0 1 375.460 3.332 20 0 GGADMN CCN(Cc1cnn(C)c1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000065907427 564751794 /nfs/dbraw/zinc/75/17/94/564751794.db2.gz VFZHWJIKJXSVJC-UHFFFAOYSA-N 0 1 388.269 3.235 20 0 GGADMN CCCN(CCC)S(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000065972162 564752646 /nfs/dbraw/zinc/75/26/46/564752646.db2.gz WRBQIOKOQIPBST-UHFFFAOYSA-N 0 1 375.966 3.070 20 0 GGADMN CCOc1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000065935885 564752710 /nfs/dbraw/zinc/75/27/10/564752710.db2.gz VRCPXMQVMXCZMR-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN O=S(=O)(CCNCc1c[nH]nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000065935869 564752864 /nfs/dbraw/zinc/75/28/64/564752864.db2.gz IJXMBUSAIMRRNV-UHFFFAOYSA-N 0 1 375.881 3.294 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1F ZINC000065972323 564753090 /nfs/dbraw/zinc/75/30/90/564753090.db2.gz NKYVQBJLUJHSID-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([S@](C)=O)cc1 ZINC000065936878 564753189 /nfs/dbraw/zinc/75/31/89/564753189.db2.gz YGBKZQWIFZDACS-RUZDIDTESA-N 0 1 378.925 3.281 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cccc(Cl)c1 ZINC000065972597 564753687 /nfs/dbraw/zinc/75/36/87/564753687.db2.gz RUWKVIATIOAYKS-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1C ZINC000066000489 564753725 /nfs/dbraw/zinc/75/37/25/564753725.db2.gz KJOHPGDBZINZOO-VXGBXAGGSA-N 0 1 382.423 3.386 20 0 GGADMN O=C(NC1CC1)[C@H](NCCOc1ccc(Br)cc1)c1ccccc1 ZINC000065975361 564753870 /nfs/dbraw/zinc/75/38/70/564753870.db2.gz CZYGUWBYLSRKKA-GOSISDBHSA-N 0 1 389.293 3.437 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000066041781 564754631 /nfs/dbraw/zinc/75/46/31/564754631.db2.gz JJFYNDHCOMISFE-HNNXBMFYSA-N 0 1 381.245 3.327 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000132853544 564754988 /nfs/dbraw/zinc/75/49/88/564754988.db2.gz NDZAWOIPTJMPMO-UHFFFAOYSA-N 0 1 399.208 3.265 20 0 GGADMN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000066106053 564755781 /nfs/dbraw/zinc/75/57/81/564755781.db2.gz LNKBBUOYSZHMIL-LBPRGKRZSA-N 0 1 382.835 3.218 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000066106130 564756090 /nfs/dbraw/zinc/75/60/90/564756090.db2.gz DRDATOQCCVOKDE-GFCCVEGCSA-N 0 1 382.835 3.218 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)COC3)c1 ZINC000132920036 564757057 /nfs/dbraw/zinc/75/70/57/564757057.db2.gz AFDFMAJWOUFAAG-UHFFFAOYSA-N 0 1 384.251 3.289 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccccc2Cl)n(-c2nc(C)cc(C)n2)n1 ZINC000066241879 564757979 /nfs/dbraw/zinc/75/79/79/564757979.db2.gz RXJWLRXWLQERIV-UHFFFAOYSA-N 0 1 377.857 3.042 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Br)c(O)c1 ZINC000132945916 564758165 /nfs/dbraw/zinc/75/81/65/564758165.db2.gz DYQABLXENXFTGY-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000066306398 564761474 /nfs/dbraw/zinc/76/14/74/564761474.db2.gz YBJVDENDZRQIRD-UHFFFAOYSA-N 0 1 383.853 3.369 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000066306400 564761637 /nfs/dbraw/zinc/76/16/37/564761637.db2.gz RBFCTXCPUCMJNM-UHFFFAOYSA-N 0 1 383.853 3.369 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000066306350 564761678 /nfs/dbraw/zinc/76/16/78/564761678.db2.gz HLZWFZHXAURNSF-UHFFFAOYSA-N 0 1 383.853 3.101 20 0 GGADMN CN(C(=O)CSCc1cscn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000133107591 564762807 /nfs/dbraw/zinc/76/28/07/564762807.db2.gz XHWZYZCTQQETLY-GOSISDBHSA-N 0 1 375.563 3.499 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(Cl)cc1O ZINC000133183435 564765545 /nfs/dbraw/zinc/76/55/45/564765545.db2.gz ANEROGYVWCRJHG-UHFFFAOYSA-N 0 1 376.865 3.487 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(Cl)s2)C1 ZINC000066474438 564766501 /nfs/dbraw/zinc/76/65/01/564766501.db2.gz KYCIDJOGCBMCHS-ZIAGYGMSSA-N 0 1 385.961 3.035 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccnc1Br ZINC000133224350 564766828 /nfs/dbraw/zinc/76/68/28/564766828.db2.gz SKZNXGIDBPOSNL-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000066483529 564766875 /nfs/dbraw/zinc/76/68/75/564766875.db2.gz ROUXRQHRASQSDW-QGWWYQLQSA-N 0 1 397.357 3.056 20 0 GGADMN CCN(CC)[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000133246224 564767257 /nfs/dbraw/zinc/76/72/57/564767257.db2.gz WUIRRWWMULZNKN-AWEZNQCLSA-N 0 1 380.535 3.041 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccncc1Br ZINC000133255075 564767843 /nfs/dbraw/zinc/76/78/43/564767843.db2.gz SOTIROIYALIISS-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000133313852 564770261 /nfs/dbraw/zinc/77/02/61/564770261.db2.gz IZEMQLZPAUTRPF-UHFFFAOYSA-N 0 1 379.243 3.184 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000066588374 564770364 /nfs/dbraw/zinc/77/03/64/564770364.db2.gz JWZNLHMVVIGNQH-UHFFFAOYSA-N 0 1 395.836 3.131 20 0 GGADMN CC(C)(C)n1cc(CN[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2Cl)n1 ZINC000066586824 564770449 /nfs/dbraw/zinc/77/04/49/564770449.db2.gz RFCISNBAQFKCKY-AWEZNQCLSA-N 0 1 381.929 3.235 20 0 GGADMN CCS(=O)(=O)CCNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000066593652 564771277 /nfs/dbraw/zinc/77/12/77/564771277.db2.gz UBYXJRMHWVYRAF-UHFFFAOYSA-N 0 1 383.945 3.483 20 0 GGADMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1C(N)=O ZINC000066714213 564773149 /nfs/dbraw/zinc/77/31/49/564773149.db2.gz RNOLBQMTFWBQKN-UHFFFAOYSA-N 0 1 399.248 3.499 20 0 GGADMN CSC[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000066762391 564774754 /nfs/dbraw/zinc/77/47/54/564774754.db2.gz ODNMYJRUMARESK-LBPRGKRZSA-N 0 1 375.460 3.395 20 0 GGADMN CCS(=O)(=O)NCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000066875975 564777615 /nfs/dbraw/zinc/77/76/15/564777615.db2.gz KTIXHRBGWIPYGX-UHFFFAOYSA-N 0 1 377.293 3.282 20 0 GGADMN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(Br)c(O)c1 ZINC000133541347 564777877 /nfs/dbraw/zinc/77/78/77/564777877.db2.gz XTZMLYMUYBZHFF-UHFFFAOYSA-N 0 1 390.237 3.327 20 0 GGADMN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccc(Br)c(O)c1 ZINC000133580521 564778513 /nfs/dbraw/zinc/77/85/13/564778513.db2.gz VXQKJTYUXUOUQI-UHFFFAOYSA-N 0 1 388.221 3.021 20 0 GGADMN O[C@H]1CCCC[C@@H]1CNCc1ncc(Br)cc1Br ZINC000135304029 564827911 /nfs/dbraw/zinc/82/79/11/564827911.db2.gz FMJGZKYAZVBRPS-RNCFNFMXSA-N 0 1 378.108 3.247 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(Br)cc2)c1 ZINC000067010466 564781263 /nfs/dbraw/zinc/78/12/63/564781263.db2.gz LDQBOTRXFKVHMO-GFCCVEGCSA-N 0 1 383.311 3.208 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCc3csc(CS(C)(=O)=O)n3)n2)cc1 ZINC000133711368 564783256 /nfs/dbraw/zinc/78/32/56/564783256.db2.gz LDSOQIDQXJASKW-UHFFFAOYSA-N 0 1 380.520 3.074 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000067118924 564785304 /nfs/dbraw/zinc/78/53/04/564785304.db2.gz ASXNRTPZBGBERL-AWEZNQCLSA-N 0 1 377.337 3.383 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000133817046 564785639 /nfs/dbraw/zinc/78/56/39/564785639.db2.gz HTBFOUFEMRXTGH-QGZVFWFLSA-N 0 1 380.510 3.403 20 0 GGADMN CN(CCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000067380205 564790225 /nfs/dbraw/zinc/79/02/25/564790225.db2.gz CGJGKPBJKSALRD-UHFFFAOYSA-N 0 1 380.275 3.180 20 0 GGADMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)s1 ZINC000067386507 564791219 /nfs/dbraw/zinc/79/12/19/564791219.db2.gz GIAHSYCTSLDXDA-JTQLQIEISA-N 0 1 389.340 3.351 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)c1ccco1 ZINC000067662931 564797320 /nfs/dbraw/zinc/79/73/20/564797320.db2.gz HYTDNHFCKJVABZ-VIFPVBQESA-N 0 1 377.392 3.355 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)[nH]1 ZINC000134265850 564798197 /nfs/dbraw/zinc/79/81/97/564798197.db2.gz LWEMAYRWKDTBIF-UHFFFAOYSA-N 0 1 380.886 3.406 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067826675 564799499 /nfs/dbraw/zinc/79/94/99/564799499.db2.gz PQVAHESYKWIOLR-INIZCTEOSA-N 0 1 376.254 3.263 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000528694420 564800529 /nfs/dbraw/zinc/80/05/29/564800529.db2.gz UTOYVFWPBIVRFA-OAHLLOKOSA-N 0 1 392.301 3.097 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000528692312 564800785 /nfs/dbraw/zinc/80/07/85/564800785.db2.gz VZIIKDRBIRUTLV-ZDUSSCGKSA-N 0 1 383.880 3.459 20 0 GGADMN COCc1nc(C)c(C(=O)NCC2(N3CCSCC3)CCCCC2)s1 ZINC000134382304 564801409 /nfs/dbraw/zinc/80/14/09/564801409.db2.gz ZTKNFYKVZIIIID-UHFFFAOYSA-N 0 1 383.583 3.079 20 0 GGADMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000067899525 564801591 /nfs/dbraw/zinc/80/15/91/564801591.db2.gz QGSKXFHNSKQTHL-UHFFFAOYSA-N 0 1 379.503 3.488 20 0 GGADMN CC(C)[C@H](N[C@H]1CCc2c1c(Br)ccc2F)C(=O)N1CCOCC1 ZINC000134433887 564803773 /nfs/dbraw/zinc/80/37/73/564803773.db2.gz BVUGBGUYXSZSIW-RDJZCZTQSA-N 0 1 399.304 3.049 20 0 GGADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1)C1CC1 ZINC000134465424 564804247 /nfs/dbraw/zinc/80/42/47/564804247.db2.gz ZJHROGWJFQXFJX-UHFFFAOYSA-N 0 1 379.869 3.047 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000068038648 564806760 /nfs/dbraw/zinc/80/67/60/564806760.db2.gz DZKZUDXGJNGBDT-UHFFFAOYSA-N 0 1 383.876 3.032 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000134554205 564806932 /nfs/dbraw/zinc/80/69/32/564806932.db2.gz XCFXMLJYXIYHED-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CS[C@@H]1CCCCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000134591268 564807771 /nfs/dbraw/zinc/80/77/71/564807771.db2.gz CNFYQHOQIYJQOJ-QGZVFWFLSA-N 0 1 384.567 3.026 20 0 GGADMN CCCCCc1nnc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)s1 ZINC000068208758 564812134 /nfs/dbraw/zinc/81/21/34/564812134.db2.gz RCENPDOXTLTAIY-UHFFFAOYSA-N 0 1 386.474 3.034 20 0 GGADMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000068275844 564812633 /nfs/dbraw/zinc/81/26/33/564812633.db2.gz MTWZXBJDYPLYMN-NSHDSACASA-N 0 1 379.829 3.182 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1cnc([C@@H]2CCCO2)s1 ZINC000134693305 564812860 /nfs/dbraw/zinc/81/28/60/564812860.db2.gz JFYKEZQMODCDGO-AWEZNQCLSA-N 0 1 381.567 3.086 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000068238591 564813222 /nfs/dbraw/zinc/81/32/22/564813222.db2.gz SZOGQBOWEFERNK-UHFFFAOYSA-N 0 1 391.294 3.463 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000068312144 564814091 /nfs/dbraw/zinc/81/40/91/564814091.db2.gz YGBKZQWIFZDACS-VWLOTQADSA-N 0 1 378.925 3.281 20 0 GGADMN CC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1C ZINC000134767931 564815532 /nfs/dbraw/zinc/81/55/32/564815532.db2.gz RHGMDBAZWVGXJX-UHFFFAOYSA-N 0 1 378.837 3.146 20 0 GGADMN CN(C)C1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000134890136 564818419 /nfs/dbraw/zinc/81/84/19/564818419.db2.gz HHJRVSXYXKWDOI-UHFFFAOYSA-N 0 1 376.254 3.022 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CC(N(C)C)C1 ZINC000134949204 564819488 /nfs/dbraw/zinc/81/94/88/564819488.db2.gz OGEHJXKTXPCVFH-UHFFFAOYSA-N 0 1 377.897 3.348 20 0 GGADMN CC(C)c1nc(C(=O)N2CC(N(C)C)C2)nn1-c1c(Cl)cccc1Cl ZINC000134976188 564820209 /nfs/dbraw/zinc/82/02/09/564820209.db2.gz YFKPFHXXDLTCRV-UHFFFAOYSA-N 0 1 382.295 3.084 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(O)c(Cl)c1 ZINC000135238310 564826131 /nfs/dbraw/zinc/82/61/31/564826131.db2.gz UEYPECPQUUSKSH-AWEZNQCLSA-N 0 1 383.206 3.373 20 0 GGADMN COc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1SC ZINC000068784903 564826665 /nfs/dbraw/zinc/82/66/65/564826665.db2.gz GCZVOVJPEBDCPI-ZDUSSCGKSA-N 0 1 380.535 3.258 20 0 GGADMN COc1ccc([C@@H](NCCn2cncn2)c2ccccc2)cc1Br ZINC000068826025 564827143 /nfs/dbraw/zinc/82/71/43/564827143.db2.gz SYMLNLGDRKRDLO-SFHVURJKSA-N 0 1 387.281 3.428 20 0 GGADMN OCC1(NCc2ncc(Br)cc2Br)CCCCC1 ZINC000135300485 564827103 /nfs/dbraw/zinc/82/71/03/564827103.db2.gz AHJALOWPUHXHLF-UHFFFAOYSA-N 0 1 378.108 3.391 20 0 GGADMN COc1cc(CNCc2ccc(C)nc2)cc(I)c1OC ZINC000068840010 564827629 /nfs/dbraw/zinc/82/76/29/564827629.db2.gz NMWSTYVXNGKYLZ-UHFFFAOYSA-N 0 1 398.244 3.302 20 0 GGADMN COc1cc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1SC ZINC000068822518 564827816 /nfs/dbraw/zinc/82/78/16/564827816.db2.gz PBDKSVCXBLVEQN-ZDUSSCGKSA-N 0 1 380.535 3.258 20 0 GGADMN Brc1cnc(CNCCc2nccs2)c(Br)c1 ZINC000135301695 564827958 /nfs/dbraw/zinc/82/79/58/564827958.db2.gz FXTQGBGZESJVSW-UHFFFAOYSA-N 0 1 377.105 3.395 20 0 GGADMN O=S(=O)(c1sccc1Br)N1CCC[C@H]1CN1CCCCC1 ZINC000069124342 564833734 /nfs/dbraw/zinc/83/37/34/564833734.db2.gz IRVHLXRXIDLXAL-LBPRGKRZSA-N 0 1 393.372 3.150 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCS[C@H]2COCC[C@@H]21 ZINC000135528271 564834171 /nfs/dbraw/zinc/83/41/71/564834171.db2.gz VHDQTVJSTLIOHD-HOTGVXAUSA-N 0 1 389.348 3.158 20 0 GGADMN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000135588188 564835661 /nfs/dbraw/zinc/83/56/61/564835661.db2.gz MGDKPHYUPBDJKN-UHFFFAOYSA-N 0 1 389.445 3.338 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])Cc1ccccc1 ZINC000069231029 564836223 /nfs/dbraw/zinc/83/62/23/564836223.db2.gz NFWZCJFVXSTFHV-HNNXBMFYSA-N 0 1 377.282 3.057 20 0 GGADMN COc1ccccc1SCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000135859223 564842161 /nfs/dbraw/zinc/84/21/61/564842161.db2.gz KXSSVYKKJFYIAV-UHFFFAOYSA-N 0 1 380.579 3.265 20 0 GGADMN O=C(CSCc1cccc(Cl)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069745465 564843868 /nfs/dbraw/zinc/84/38/68/564843868.db2.gz ZDPUMWYARJUDTI-KRWDZBQOSA-N 0 1 382.957 3.144 20 0 GGADMN CN(Cc1nc(-c2cccc(Br)c2)no1)C1CCC(CO)CC1 ZINC000136144028 564846004 /nfs/dbraw/zinc/84/60/04/564846004.db2.gz BETOQSLPFSFXKT-UHFFFAOYSA-N 0 1 380.286 3.482 20 0 GGADMN COc1ccc(Br)cc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000069857688 564846434 /nfs/dbraw/zinc/84/64/34/564846434.db2.gz WOZYLZWFYCCMAH-HNNXBMFYSA-N 0 1 383.330 3.002 20 0 GGADMN C[C@H](O)C1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000136316746 564848266 /nfs/dbraw/zinc/84/82/66/564848266.db2.gz GMMBAAYKRAUNFE-NSHDSACASA-N 0 1 378.270 3.072 20 0 GGADMN O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000070057703 564849147 /nfs/dbraw/zinc/84/91/47/564849147.db2.gz SHUKVBXREJKQRR-CQSZACIVSA-N 0 1 386.323 3.247 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(F)ccc2Br)C[C@H](C)O1 ZINC000136436950 564850868 /nfs/dbraw/zinc/85/08/68/564850868.db2.gz VWBSIZKPXWPXGP-TXEJJXNPSA-N 0 1 388.281 3.209 20 0 GGADMN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071038402 564854994 /nfs/dbraw/zinc/85/49/94/564854994.db2.gz WWUNGFHSSRNWIP-GFCCVEGCSA-N 0 1 387.237 3.436 20 0 GGADMN O=C(COc1ccc(Br)cc1F)Nc1ccn(-c2ccncc2)n1 ZINC000071027875 564855058 /nfs/dbraw/zinc/85/50/58/564855058.db2.gz WPAVTZVACNOWQA-UHFFFAOYSA-N 0 1 391.200 3.186 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cccc(I)c1 ZINC000071027833 564855444 /nfs/dbraw/zinc/85/54/44/564855444.db2.gz NNTAAPNMCSIUNN-UHFFFAOYSA-N 0 1 390.184 3.124 20 0 GGADMN O[C@@H](COCc1cccs1)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000071816650 564856941 /nfs/dbraw/zinc/85/69/41/564856941.db2.gz WGOSIXIMUSNVTB-GOSISDBHSA-N 0 1 380.941 3.097 20 0 GGADMN COc1ccc(N(C)C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cc1F ZINC000137742555 564863841 /nfs/dbraw/zinc/86/38/41/564863841.db2.gz OQQAVTIWZDDMDJ-UHFFFAOYSA-N 0 1 386.832 3.136 20 0 GGADMN O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(Br)c(O)c1 ZINC000137811669 564864007 /nfs/dbraw/zinc/86/40/07/564864007.db2.gz GELCMFACPAIVFX-UHFFFAOYSA-N 0 1 377.223 3.321 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000139235245 564868591 /nfs/dbraw/zinc/86/85/91/564868591.db2.gz XYAGZXLWEFJADC-CYBMUJFWSA-N 0 1 381.929 3.483 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3c(C)nn(C)c3Cl)n2)c(OC)c1 ZINC000084012408 564869411 /nfs/dbraw/zinc/86/94/11/564869411.db2.gz FWYXPOHMHITQSH-UHFFFAOYSA-N 0 1 379.873 3.477 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(CC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000140008751 564871238 /nfs/dbraw/zinc/87/12/38/564871238.db2.gz GNQAXLNPPRNSDZ-SNVBAGLBSA-N 0 1 377.794 3.254 20 0 GGADMN Cc1cc(NC(=O)c2ccc(Br)cc2O)ccc1C(=O)N(C)C ZINC000091732750 564871643 /nfs/dbraw/zinc/87/16/43/564871643.db2.gz QBWFNSUOKBCFNR-UHFFFAOYSA-N 0 1 377.238 3.417 20 0 GGADMN O=C(CN1CCN(CCc2cccs2)CC1)Nc1cc(Cl)ccc1F ZINC000141461604 564874761 /nfs/dbraw/zinc/87/47/61/564874761.db2.gz AOBVDVCMLHNDJM-UHFFFAOYSA-N 0 1 381.904 3.339 20 0 GGADMN O=C1NCCN1[C@H]1CCCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000092188448 564875127 /nfs/dbraw/zinc/87/51/27/564875127.db2.gz QOEIVASIGKHOSM-HNNXBMFYSA-N 0 1 382.291 3.259 20 0 GGADMN CCn1c2ccc(Br)cc2nc1NC(=O)c1cnc2n[nH]c(C)c2c1 ZINC000092104896 564875240 /nfs/dbraw/zinc/87/52/40/564875240.db2.gz KPVZCTFVDBQYQR-UHFFFAOYSA-N 0 1 399.252 3.073 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2ccc(Br)c(C)c2)CC1 ZINC000092361904 564876933 /nfs/dbraw/zinc/87/69/33/564876933.db2.gz WLDNZIJMWAEERT-UHFFFAOYSA-N 0 1 383.330 3.122 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092361984 564876965 /nfs/dbraw/zinc/87/69/65/564876965.db2.gz QZACQKHQJOYSOS-UHFFFAOYSA-N 0 1 379.551 3.236 20 0 GGADMN CN(C1CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1)S(C)(=O)=O ZINC000092529528 564878001 /nfs/dbraw/zinc/87/80/01/564878001.db2.gz KCLKAIHHGNHLAA-UHFFFAOYSA-N 0 1 382.526 3.410 20 0 GGADMN CN(C1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)S(C)(=O)=O ZINC000092530779 564878529 /nfs/dbraw/zinc/87/85/29/564878529.db2.gz PKFYXIQNWQPTLC-UHFFFAOYSA-N 0 1 382.526 3.410 20 0 GGADMN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)c1ccc2nccnc2c1 ZINC000092643169 564879352 /nfs/dbraw/zinc/87/93/52/564879352.db2.gz VXTAKXKOJJWGJU-UHFFFAOYSA-N 0 1 396.248 3.436 20 0 GGADMN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(CO)o2)CC1 ZINC000092736326 564881010 /nfs/dbraw/zinc/88/10/10/564881010.db2.gz OKKDSAJGQYJLOD-UHFFFAOYSA-N 0 1 393.281 3.385 20 0 GGADMN COC(=O)CCN(Cc1cc(Br)c(OC)s1)C[C@H]1CCCO1 ZINC000093460616 564886746 /nfs/dbraw/zinc/88/67/46/564886746.db2.gz OWOWNCUFAPDHFM-LLVKDONJSA-N 0 1 392.315 3.063 20 0 GGADMN Cc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1C ZINC000093393436 564886841 /nfs/dbraw/zinc/88/68/41/564886841.db2.gz FBMKSBGZRYRUPC-UHFFFAOYSA-N 0 1 378.460 3.092 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(OC)ccc1Br)CC2 ZINC000093613630 564887944 /nfs/dbraw/zinc/88/79/44/564887944.db2.gz MLDLOLJZGOGZTE-IRXDYDNUSA-N 0 1 384.314 3.210 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(OC)ccc1Br)CC2 ZINC000093613632 564888094 /nfs/dbraw/zinc/88/80/94/564888094.db2.gz MLDLOLJZGOGZTE-SJORKVTESA-N 0 1 384.314 3.210 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093788826 564888770 /nfs/dbraw/zinc/88/87/70/564888770.db2.gz DGOALIRONAKOOQ-HNNXBMFYSA-N 0 1 383.330 3.456 20 0 GGADMN Cc1ccc(-c2cc(NC(=O)Nc3cc(Br)c(=O)n(C)c3)[nH]n2)o1 ZINC000498119226 564888782 /nfs/dbraw/zinc/88/87/82/564888782.db2.gz GWTURWZMZKETHJ-UHFFFAOYSA-N 0 1 392.213 3.083 20 0 GGADMN COc1ccc(-c2csc(NC(=O)CNC[C@@H]3CCCO3)n2)cc1Cl ZINC000150751531 564889036 /nfs/dbraw/zinc/88/90/36/564889036.db2.gz YPVVYJUTRQFZBQ-LBPRGKRZSA-N 0 1 381.885 3.179 20 0 GGADMN C[C@@H](CN1CCC(N2CCCNC2=O)CC1)c1cccc(Br)c1 ZINC000093669530 564889492 /nfs/dbraw/zinc/88/94/92/564889492.db2.gz WAFCFKFUWLONQX-AWEZNQCLSA-N 0 1 380.330 3.432 20 0 GGADMN C[C@H](C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1cccc(Br)c1 ZINC000093814429 564890146 /nfs/dbraw/zinc/89/01/46/564890146.db2.gz GTSVDMPFOVEVLL-RISCZKNCSA-N 0 1 384.236 3.160 20 0 GGADMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000093813493 564890951 /nfs/dbraw/zinc/89/09/51/564890951.db2.gz DGHMUTMUIJWUNP-SFHVURJKSA-N 0 1 392.297 3.328 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000093820570 564891463 /nfs/dbraw/zinc/89/14/63/564891463.db2.gz CJIHPYAFVSQHMP-GOSISDBHSA-N 0 1 384.314 3.477 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000093870050 564891590 /nfs/dbraw/zinc/89/15/90/564891590.db2.gz NFDJWCWHEVHWSQ-ZDUSSCGKSA-N 0 1 394.313 3.264 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093923469 564893824 /nfs/dbraw/zinc/89/38/24/564893824.db2.gz QLZSTQLMIOLRKL-UHFFFAOYSA-N 0 1 398.941 3.030 20 0 GGADMN O=C(Nc1ccccc1NS(=O)(=O)C[C@H]1CCCCO1)c1cccs1 ZINC000150853720 564893875 /nfs/dbraw/zinc/89/38/75/564893875.db2.gz LNPHTNYLKFAHMB-CYBMUJFWSA-N 0 1 380.491 3.311 20 0 GGADMN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(Br)cc1O ZINC000094032342 564895610 /nfs/dbraw/zinc/89/56/10/564895610.db2.gz PPYOLPDAWMMVJY-UHFFFAOYSA-N 0 1 393.237 3.117 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc(Cl)c3[O-])CC[C@@H]21 ZINC000150968178 564899881 /nfs/dbraw/zinc/89/98/81/564899881.db2.gz 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O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000151493856 564922563 /nfs/dbraw/zinc/92/25/63/564922563.db2.gz XZEGHJAGVVGLOS-UHFFFAOYSA-N 0 1 382.835 3.264 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000101915007 564923658 /nfs/dbraw/zinc/92/36/58/564923658.db2.gz SSLXVKTYTCDKNP-PBHICJAKSA-N 0 1 383.330 3.111 20 0 GGADMN CN(CCC(=O)N1CCc2ccccc21)Cc1cc(Br)cn1C ZINC000151534211 564925101 /nfs/dbraw/zinc/92/51/01/564925101.db2.gz KXUOIBHXSLKRLL-UHFFFAOYSA-N 0 1 376.298 3.199 20 0 GGADMN C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000151558212 564926579 /nfs/dbraw/zinc/92/65/79/564926579.db2.gz FHVCXLKEMZTLDL-NOZJJQNGSA-N 0 1 396.228 3.051 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000102187576 564926997 /nfs/dbraw/zinc/92/69/97/564926997.db2.gz BMQGDNCTCLXXSE-SNVBAGLBSA-N 0 1 376.869 3.055 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000151569332 564927596 /nfs/dbraw/zinc/92/75/96/564927596.db2.gz 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O=C(Cc1[nH]nc2ccccc21)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000103104430 564942793 /nfs/dbraw/zinc/94/27/93/564942793.db2.gz OZLRMQCLSYSTJY-CQSZACIVSA-N 0 1 399.292 3.263 20 0 GGADMN O=C(CCN(CCO)Cc1cc(Br)ccc1F)Nc1ccccc1 ZINC000103228691 564944622 /nfs/dbraw/zinc/94/46/22/564944622.db2.gz ISRHMOBETUGEKS-UHFFFAOYSA-N 0 1 395.272 3.411 20 0 GGADMN Cc1nnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)[nH]1 ZINC000103256527 564945851 /nfs/dbraw/zinc/94/58/51/564945851.db2.gz XHFOHFFAVJIDOA-UHFFFAOYSA-N 0 1 379.251 3.404 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000152083961 564946598 /nfs/dbraw/zinc/94/65/98/564946598.db2.gz JWJISFUFLHOCDB-YVEFUNNKSA-N 0 1 380.897 3.158 20 0 GGADMN Cc1nc(NC(=O)CNC[C@H]2CCCO2)sc1Cc1cccc(Cl)c1 ZINC000152248889 564951802 /nfs/dbraw/zinc/95/18/02/564951802.db2.gz XVMVRKMDPVEURC-OAHLLOKOSA-N 0 1 379.913 3.403 20 0 GGADMN COc1ccnc(N2CCN(C(=O)N[C@@H](C)c3ccc(Cl)s3)CC2)c1 ZINC000103853965 564952167 /nfs/dbraw/zinc/95/21/67/564952167.db2.gz 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C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C[C@@H](C)N1 ZINC000154073032 565024394 /nfs/dbraw/zinc/02/43/94/565024394.db2.gz UPETUQKZUQUZJE-VXGBXAGGSA-N 0 1 394.338 3.324 20 0 GGADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000109354772 565024620 /nfs/dbraw/zinc/02/46/20/565024620.db2.gz SQZCODFYRVBADV-OAHLLOKOSA-N 0 1 375.266 3.159 20 0 GGADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000109354772 565024622 /nfs/dbraw/zinc/02/46/22/565024622.db2.gz SQZCODFYRVBADV-OAHLLOKOSA-N 0 1 375.266 3.159 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnc(Cl)c(C)c3)cc2C[C@H]1C ZINC000154062455 565024735 /nfs/dbraw/zinc/02/47/35/565024735.db2.gz WHECPFOPKYDIPC-LLVKDONJSA-N 0 1 379.869 3.142 20 0 GGADMN Cc1nc(Cc2noc(-c3cc(-c4ccc(Br)cc4)n[nH]3)n2)no1 ZINC000109509455 565027319 /nfs/dbraw/zinc/02/73/19/565027319.db2.gz SBUNCWJQWOGGGL-UHFFFAOYSA-N 0 1 387.197 3.171 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)[C@H]1COc2ccc(Br)cc21 ZINC000536191950 565032378 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COCCOc1c(Cl)cccc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000267002291 565101594 /nfs/dbraw/zinc/10/15/94/565101594.db2.gz ZCJKEOONAQIGDF-UHFFFAOYSA-N 0 1 391.927 3.236 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c(C)cc1Br ZINC000156708379 565102000 /nfs/dbraw/zinc/10/20/00/565102000.db2.gz ZDMYWHCZXWLKDY-MRXNPFEDSA-N 0 1 395.341 3.250 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(N2CCC[NH+]=C2[O-])cc1 ZINC000292173937 565102363 /nfs/dbraw/zinc/10/23/63/565102363.db2.gz PSFXFHVJZOHGBA-NSHDSACASA-N 0 1 399.925 3.361 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000267084073 565104100 /nfs/dbraw/zinc/10/41/00/565104100.db2.gz SRIBAUYKJUGBKJ-LBPRGKRZSA-N 0 1 391.547 3.169 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000267084071 565104574 /nfs/dbraw/zinc/10/45/74/565104574.db2.gz SRIBAUYKJUGBKJ-GFCCVEGCSA-N 0 1 391.547 3.169 20 0 GGADMN Cc1cnc(C(C)(C)NC[C@H](O)COc2ccc(Br)cc2)s1 ZINC000183933483 565104566 /nfs/dbraw/zinc/10/45/66/565104566.db2.gz 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CN(C)Cc1ccnc(NC(=O)COc2ccc(F)cc2Br)c1 ZINC000267303749 565114320 /nfs/dbraw/zinc/11/43/20/565114320.db2.gz YIJJWTZIEVNKNT-UHFFFAOYSA-N 0 1 382.233 3.062 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncc(Cl)cc3C)cc2C[C@@H]1C ZINC000292418569 565114785 /nfs/dbraw/zinc/11/47/85/565114785.db2.gz CDZPZDPJVNNHNY-NSHDSACASA-N 0 1 379.869 3.142 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncc(Cl)cc3C)cc2C[C@H]1C ZINC000292418563 565114827 /nfs/dbraw/zinc/11/48/27/565114827.db2.gz CDZPZDPJVNNHNY-LLVKDONJSA-N 0 1 379.869 3.142 20 0 GGADMN Cc1n[nH]cc1CN[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000184108189 565114988 /nfs/dbraw/zinc/11/49/88/565114988.db2.gz HCBQTSKYFYRFMQ-INIZCTEOSA-N 0 1 377.286 3.074 20 0 GGADMN CC(C)(C)c1nc(CS(=O)(=O)Cc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000292427043 565115334 /nfs/dbraw/zinc/11/53/34/565115334.db2.gz LIWYBNCWEMTZNO-UHFFFAOYSA-N 0 1 376.507 3.341 20 0 GGADMN Cc1cc(Br)ccc1CS(=O)(=O)Cc1n[nH]c(C(C)(C)C)n1 ZINC000292468197 565117933 /nfs/dbraw/zinc/11/79/33/565117933.db2.gz 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C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1cnc2ccsc2c1 ZINC000157504303 565134700 /nfs/dbraw/zinc/13/47/00/565134700.db2.gz FIHBLFLCWVFMKH-AWEZNQCLSA-N 0 1 375.519 3.067 20 0 GGADMN O=C(C[C@@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1)c1cccs1 ZINC000268004592 565138189 /nfs/dbraw/zinc/13/81/89/565138189.db2.gz NVUKQHNKPJHJND-VIFPVBQESA-N 0 1 385.561 3.244 20 0 GGADMN O=C1CNC(=O)N1CCCN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000157614075 565138433 /nfs/dbraw/zinc/13/84/33/565138433.db2.gz GUASJYNFAVMPQH-UHFFFAOYSA-N 0 1 382.291 3.415 20 0 GGADMN Cc1nccnc1CCNCc1ncc(Br)cc1Br ZINC000292854812 565138671 /nfs/dbraw/zinc/13/86/71/565138671.db2.gz AFMSXNPDZSGHRL-UHFFFAOYSA-N 0 1 386.091 3.037 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000184499896 565139151 /nfs/dbraw/zinc/13/91/51/565139151.db2.gz OAJVUCKIOYSNCQ-INIZCTEOSA-N 0 1 394.244 3.402 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000157689459 565140874 /nfs/dbraw/zinc/14/08/74/565140874.db2.gz LRYOGKNYMWGVFZ-DGCLKSJQSA-N 0 1 389.334 3.073 20 0 GGADMN CCN(C[C@H]1CCN(C(=O)c2sccc2CN(C)C)C1)CC(F)(F)F ZINC000268118532 565141143 /nfs/dbraw/zinc/14/11/43/565141143.db2.gz NHMQRJYFJZNGGK-CYBMUJFWSA-N 0 1 377.476 3.156 20 0 GGADMN COC[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1cccc(Cl)c1 ZINC000292935222 565141843 /nfs/dbraw/zinc/14/18/43/565141843.db2.gz FZSBAJJVACHIQM-SNVBAGLBSA-N 0 1 375.928 3.076 20 0 GGADMN Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nc1 ZINC000157730004 565142494 /nfs/dbraw/zinc/14/24/94/565142494.db2.gz FHUZPQDWJRXEJJ-CQSZACIVSA-N 0 1 389.297 3.398 20 0 GGADMN Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000157720029 565142686 /nfs/dbraw/zinc/14/26/86/565142686.db2.gz SNOLQGXCYRKSOF-UHFFFAOYSA-N 0 1 380.539 3.126 20 0 GGADMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157729159 565142865 /nfs/dbraw/zinc/14/28/65/565142865.db2.gz QWQFCLHTDZAQPZ-UHFFFAOYSA-N 0 1 380.294 3.141 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3ccc(Br)cc3)[nH]c21 ZINC000157774495 565144201 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ZINC000157949203 565150316 /nfs/dbraw/zinc/15/03/16/565150316.db2.gz QBMUDTUQHUJAMQ-UHFFFAOYSA-N 0 1 383.265 3.168 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1OCCc2ccccc21 ZINC000157968626 565151822 /nfs/dbraw/zinc/15/18/22/565151822.db2.gz RRVLLDOZFIRABI-OAHLLOKOSA-N 0 1 399.248 3.487 20 0 GGADMN CCn1nc(C)c(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)c1C ZINC000293123945 565152452 /nfs/dbraw/zinc/15/24/52/565152452.db2.gz IEYHIOTXCANHRC-UHFFFAOYSA-N 0 1 376.258 3.340 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3ccc(C)cc3Br)C2)n1 ZINC000268449630 565152518 /nfs/dbraw/zinc/15/25/18/565152518.db2.gz INSGOYYGZUMMNE-CYBMUJFWSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc(C)cc3Br)C2)[nH]1 ZINC000268449630 565152522 /nfs/dbraw/zinc/15/25/22/565152522.db2.gz INSGOYYGZUMMNE-CYBMUJFWSA-N 0 1 392.301 3.002 20 0 GGADMN O=C(NN1CCCCC1=O)c1csc(-c2ccc(Br)s2)n1 ZINC000158004250 565152852 /nfs/dbraw/zinc/15/28/52/565152852.db2.gz ZEBWSFUZWCOGMM-UHFFFAOYSA-N 0 1 386.296 3.291 20 0 GGADMN FC(F)C(F)(F)COCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000293143698 565153427 /nfs/dbraw/zinc/15/34/27/565153427.db2.gz DBVOXEJBQGYIPL-UHFFFAOYSA-N 0 1 384.801 3.183 20 0 GGADMN COc1ccc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)c(Br)c1OC ZINC000268474584 565153624 /nfs/dbraw/zinc/15/36/24/565153624.db2.gz MVWWOILMYUVBIY-ZDUSSCGKSA-N 0 1 395.301 3.272 20 0 GGADMN CCC(CC)(CC(=O)OC)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000268479547 565153795 /nfs/dbraw/zinc/15/37/95/565153795.db2.gz OJSTYRQFUJQPOF-UHFFFAOYSA-N 0 1 386.246 3.304 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000370702132 565156873 /nfs/dbraw/zinc/15/68/73/565156873.db2.gz XAOKXWWWMLWJLG-GJZGRUSLSA-N 0 1 376.259 3.195 20 0 GGADMN CCNC(=O)[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)C(C)C ZINC000293215827 565157084 /nfs/dbraw/zinc/15/70/84/565157084.db2.gz JOMNWESLAUCSOM-INIZCTEOSA-N 0 1 391.313 3.156 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1Cl ZINC000293238576 565158520 /nfs/dbraw/zinc/15/85/20/565158520.db2.gz BEMCLFYHZBMVOW-MRXNPFEDSA-N 0 1 382.917 3.273 20 0 GGADMN CC(C)(CO)[C@H](NCc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000293256645 565159614 /nfs/dbraw/zinc/15/96/14/565159614.db2.gz ZSZGBLAMGQZVEU-OAHLLOKOSA-N 0 1 380.286 3.386 20 0 GGADMN O=S(=O)(Nc1cncc(Br)c1)c1cccc(Br)c1 ZINC000158179270 565159755 /nfs/dbraw/zinc/15/97/55/565159755.db2.gz DFBDOBKQZZIPGY-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN Cn1nc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1OC(F)F ZINC000184844459 565159848 /nfs/dbraw/zinc/15/98/48/565159848.db2.gz MSMHEHBTRLWXEB-UHFFFAOYSA-N 0 1 396.575 3.395 20 0 GGADMN CCc1c(NC(=O)c2cnnn2CC)[nH]nc1-c1ccc(Br)cc1 ZINC000293263624 565160005 /nfs/dbraw/zinc/16/00/05/565160005.db2.gz CAWJLRKRCHNUKP-UHFFFAOYSA-N 0 1 389.257 3.265 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1Cl ZINC000158197488 565160682 /nfs/dbraw/zinc/16/06/82/565160682.db2.gz WLHNTGZTVVBTGT-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CC(C)(C)OC(=O)[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000268650705 565161044 /nfs/dbraw/zinc/16/10/44/565161044.db2.gz GSOZIEXGOIPFKV-GFCCVEGCSA-N 0 1 397.547 3.118 20 0 GGADMN CN(CCNCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1cccs1 ZINC000158253860 565162262 /nfs/dbraw/zinc/16/22/62/565162262.db2.gz CWFOOUOOPTWDDG-UHFFFAOYSA-N 0 1 396.431 3.316 20 0 GGADMN Cc1c(Br)scc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000184924721 565166411 /nfs/dbraw/zinc/16/64/11/565166411.db2.gz WWJVGCLOPXXOSE-PHIMTYICSA-N 0 1 375.332 3.048 20 0 GGADMN CCCNC(=O)CN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000158316465 565166701 /nfs/dbraw/zinc/16/67/01/565166701.db2.gz NIVNMEXYBOVELR-QGZVFWFLSA-N 0 1 376.298 3.244 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c(Cl)c1Cl ZINC000268802395 565168298 /nfs/dbraw/zinc/16/82/98/565168298.db2.gz QQYAOUVQTBRGBF-SECBINFHSA-N 0 1 376.265 3.081 20 0 GGADMN CN(C)C1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000158421812 565168599 /nfs/dbraw/zinc/16/85/99/565168599.db2.gz GEHKWNDEGRZMRI-UHFFFAOYSA-N 0 1 376.254 3.022 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268836696 565168740 /nfs/dbraw/zinc/16/87/40/565168740.db2.gz DPFWQOHRXDMLCM-ZDUSSCGKSA-N 0 1 379.258 3.058 20 0 GGADMN Cc1nc2c(s1)[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000268812822 565169158 /nfs/dbraw/zinc/16/91/58/565169158.db2.gz DQUGJQZERWRQKR-MLGOLLRUSA-N 0 1 379.551 3.430 20 0 GGADMN CC[C@H](N[C@H](C)Cn1cc(Br)cn1)c1nnc2n1CCCCC2 ZINC000268890608 565170469 /nfs/dbraw/zinc/17/04/69/565170469.db2.gz YMWZKWLYRWPLTO-OCCSQVGLSA-N 0 1 381.322 3.093 20 0 GGADMN Cc1c([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)nnn1-c1cccc(Br)c1 ZINC000268866699 565170880 /nfs/dbraw/zinc/17/08/80/565170880.db2.gz FKKDYJUZWVTVPA-UGGSBELWSA-N 0 1 377.286 3.309 20 0 GGADMN CC[C@H](N[C@@H](C)Cn1cc(Br)cn1)c1nnc2n1CCCCC2 ZINC000268890604 565170962 /nfs/dbraw/zinc/17/09/62/565170962.db2.gz YMWZKWLYRWPLTO-JSGCOSHPSA-N 0 1 381.322 3.093 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268915160 565171602 /nfs/dbraw/zinc/17/16/02/565171602.db2.gz BNSMRXBIUFCGRD-ZANVPECISA-N 0 1 382.233 3.272 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268915159 565171975 /nfs/dbraw/zinc/17/19/75/565171975.db2.gz BNSMRXBIUFCGRD-TVQRCGJNSA-N 0 1 382.233 3.272 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000185040075 565173089 /nfs/dbraw/zinc/17/30/89/565173089.db2.gz YOYXVWHGYAXFHM-UHFFFAOYSA-N 0 1 385.287 3.314 20 0 GGADMN COCCn1nnc2c1CCN(CC/C=C/c1ccc(Br)cc1)C2 ZINC000293533322 565173891 /nfs/dbraw/zinc/17/38/91/565173891.db2.gz JMLAKRBCTJDPBX-DUXPYHPUSA-N 0 1 391.313 3.149 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269061554 565176082 /nfs/dbraw/zinc/17/60/82/565176082.db2.gz ZXVUBHRJTWKUFD-AWEZNQCLSA-N 0 1 393.285 3.400 20 0 GGADMN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269040600 565176176 /nfs/dbraw/zinc/17/61/76/565176176.db2.gz YIZBELPZWXNNQJ-RISCZKNCSA-N 0 1 376.869 3.060 20 0 GGADMN CN1CCN(C)[C@@H](CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000293613395 565177509 /nfs/dbraw/zinc/17/75/09/565177509.db2.gz GRKZLRPYOVEMMT-YJBOKZPZSA-N 0 1 396.304 3.106 20 0 GGADMN Cn1ncc(CCCN[C@H](c2ccco2)c2ccc(Br)cc2)n1 ZINC000293649553 565178823 /nfs/dbraw/zinc/17/88/23/565178823.db2.gz HTDBBPFFKOCACJ-KRWDZBQOSA-N 0 1 375.270 3.482 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2NC(C)=O)cc1Cl ZINC000158738738 565180135 /nfs/dbraw/zinc/18/01/35/565180135.db2.gz NKMVWQQJZZWAPD-UHFFFAOYSA-N 0 1 390.795 3.386 20 0 GGADMN C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1nnc[nH]1 ZINC000158782046 565181568 /nfs/dbraw/zinc/18/15/68/565181568.db2.gz AXIAMKCQXSMCBZ-SECBINFHSA-N 0 1 380.239 3.239 20 0 GGADMN O[C@H](CN[C@H](c1cccs1)c1nnc[nH]1)COc1cccc(Cl)c1Cl ZINC000293746811 565182114 /nfs/dbraw/zinc/18/21/14/565182114.db2.gz NXMDNOUFDZAIIN-MEBBXXQBSA-N 0 1 399.303 3.292 20 0 GGADMN Clc1cccc(-n2cc(CN3CCC4(CC3)OCCCO4)nn2)c1Cl ZINC000293740656 565182708 /nfs/dbraw/zinc/18/27/08/565182708.db2.gz VSCJNPAQCVFVBS-UHFFFAOYSA-N 0 1 383.279 3.303 20 0 GGADMN CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000293793107 565184431 /nfs/dbraw/zinc/18/44/31/565184431.db2.gz XMRIGYOMRPJLIV-LBPRGKRZSA-N 0 1 381.881 3.096 20 0 GGADMN Cc1cc(N2CC[C@H](NCc3cnc4ccccn34)C2=O)ccc1Br ZINC000185187682 565185302 /nfs/dbraw/zinc/18/53/02/565185302.db2.gz KGCWAUHDMAUDIM-KRWDZBQOSA-N 0 1 399.292 3.300 20 0 GGADMN Cc1cc(N2CC[C@H](NCc3cccc4nccn43)C2=O)ccc1Br ZINC000185189822 565185339 /nfs/dbraw/zinc/18/53/39/565185339.db2.gz MREHSFYNFWTFSX-KRWDZBQOSA-N 0 1 399.292 3.300 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185205117 565187046 /nfs/dbraw/zinc/18/70/46/565187046.db2.gz ICAIPGGTOAOMLA-YVEFUNNKSA-N 0 1 391.313 3.256 20 0 GGADMN CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4cccs4)s3)C2)CC1 ZINC000371331826 565187029 /nfs/dbraw/zinc/18/70/29/565187029.db2.gz KYJRTDHTEPDABI-INIZCTEOSA-N 0 1 376.595 3.472 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185205097 565187455 /nfs/dbraw/zinc/18/74/55/565187455.db2.gz ICAIPGGTOAOMLA-SJCJKPOMSA-N 0 1 391.313 3.256 20 0 GGADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1scnc1C(C)(C)C ZINC000293839498 565187718 /nfs/dbraw/zinc/18/77/18/565187718.db2.gz IWZOFDBFWXRTLJ-NXEZZACHSA-N 0 1 377.432 3.112 20 0 GGADMN Brc1cnn(C2CCN(Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000371332634 565187807 /nfs/dbraw/zinc/18/78/07/565187807.db2.gz AJDCTFKSJHTGHA-UHFFFAOYSA-N 0 1 390.329 3.478 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2N)N2CCCC2)o1 ZINC000185257653 565190875 /nfs/dbraw/zinc/19/08/75/565190875.db2.gz KZGKAPGNNRJYIW-INIZCTEOSA-N 0 1 392.297 3.500 20 0 GGADMN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cc(F)ccc2Br)cn1 ZINC000371417103 565192716 /nfs/dbraw/zinc/19/27/16/565192716.db2.gz JDOJTOPXKDUMIU-WBVHZDCISA-N 0 1 382.277 3.410 20 0 GGADMN CSCc1cnc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)s1 ZINC000294045100 565196709 /nfs/dbraw/zinc/19/67/09/565196709.db2.gz IXZQAOHIFQDLQO-KRWDZBQOSA-N 0 1 381.542 3.308 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1 ZINC000159167410 565196867 /nfs/dbraw/zinc/19/68/67/565196867.db2.gz YRRSTYVANMRIME-MRXNPFEDSA-N 0 1 379.287 3.142 20 0 GGADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185359907 565197384 /nfs/dbraw/zinc/19/73/84/565197384.db2.gz ZDPRWXOYRGZPMO-MEDUHNTESA-N 0 1 377.286 3.245 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269720307 565197766 /nfs/dbraw/zinc/19/77/66/565197766.db2.gz SZCWUBDUHGNQAI-CHWSQXEVSA-N 0 1 399.538 3.173 20 0 GGADMN O=C1[C@H](N2CCC(c3nc[nH]n3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000371533428 565198587 /nfs/dbraw/zinc/19/85/87/565198587.db2.gz GVAKTWAQFNKTQV-OAHLLOKOSA-N 0 1 380.279 3.096 20 0 GGADMN COc1ccc(CCNC(=O)c2sccc2CN(C)C)c(Cl)c1OC ZINC000294167727 565200908 /nfs/dbraw/zinc/20/09/08/565200908.db2.gz YTYRJZQNWWYKAR-UHFFFAOYSA-N 0 1 382.913 3.453 20 0 GGADMN COc1cc(Br)c(CNC(=O)c2cccc3nc[nH]c32)cc1OC ZINC000159357174 565203214 /nfs/dbraw/zinc/20/32/14/565203214.db2.gz WZCRJSYYDQMVOG-UHFFFAOYSA-N 0 1 390.237 3.273 20 0 GGADMN O=C(NCCc1ccc(I)s1)c1cccc2nc[nH]c21 ZINC000159349426 565203503 /nfs/dbraw/zinc/20/35/03/565203503.db2.gz RACZNKRBNLMTAV-UHFFFAOYSA-N 0 1 397.241 3.202 20 0 GGADMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000371656708 565204760 /nfs/dbraw/zinc/20/47/60/565204760.db2.gz VFMFVNAKWOVDCI-ZDUSSCGKSA-N 0 1 378.929 3.208 20 0 GGADMN Cc1ncc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000270004973 565205616 /nfs/dbraw/zinc/20/56/16/565205616.db2.gz SJHXSXATLVWUAH-WMLDXEAASA-N 0 1 379.551 3.125 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cncc(Cl)c1 ZINC000270025356 565206725 /nfs/dbraw/zinc/20/67/25/565206725.db2.gz XLCBESUOGXJDCA-AEFFLSMTSA-N 0 1 377.897 3.040 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000185564716 565207588 /nfs/dbraw/zinc/20/75/88/565207588.db2.gz BPLVGAASQSAWJH-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN Clc1ccc(-n2cc(CNCCCOC3CCOCC3)nn2)c(Cl)c1 ZINC000270099559 565209423 /nfs/dbraw/zinc/20/94/23/565209423.db2.gz LQSLIEROSVYSHT-UHFFFAOYSA-N 0 1 385.295 3.249 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(CCSC)cc3)cc12 ZINC000185600187 565210990 /nfs/dbraw/zinc/21/09/90/565210990.db2.gz JGXWSQKSOADZTI-UHFFFAOYSA-N 0 1 377.491 3.492 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)Nc1nccs1 ZINC000185623278 565212518 /nfs/dbraw/zinc/21/25/18/565212518.db2.gz DCABGQYLJDDEPO-WCBMZHEXSA-N 0 1 375.420 3.197 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1nccs1 ZINC000185623225 565212528 /nfs/dbraw/zinc/21/25/28/565212528.db2.gz DCABGQYLJDDEPO-SCZZXKLOSA-N 0 1 375.420 3.197 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3OC(F)F)ccc2N1 ZINC000185660295 565214444 /nfs/dbraw/zinc/21/44/44/565214444.db2.gz KHASIXCMVSOTJU-UHFFFAOYSA-N 0 1 388.779 3.237 20 0 GGADMN Cc1ccc(OCCC(=O)N2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000371927932 565215115 /nfs/dbraw/zinc/21/51/15/565215115.db2.gz SQTNSUAAPJRFNH-UHFFFAOYSA-N 0 1 393.285 3.051 20 0 GGADMN FC(F)(F)c1cnc(C2CCN(c3ncncc3Br)CC2)[nH]1 ZINC000371978439 565217862 /nfs/dbraw/zinc/21/78/62/565217862.db2.gz IESNGLVDWXITTH-UHFFFAOYSA-N 0 1 376.180 3.365 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C2SCCS2)c1 ZINC000270473775 565218779 /nfs/dbraw/zinc/21/87/79/565218779.db2.gz HSLPSFDUKPHBOO-UHFFFAOYSA-N 0 1 379.551 3.246 20 0 GGADMN CSc1ccc([C@@H](CNC(=O)C(=O)Nc2cscc2C)N(C)C)cc1 ZINC000294587098 565219024 /nfs/dbraw/zinc/21/90/24/565219024.db2.gz NWKIOODGPCWCPI-MRXNPFEDSA-N 0 1 377.535 3.136 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C2(Cc3ccccc3Br)CC2)n[nH]1 ZINC000294597456 565220245 /nfs/dbraw/zinc/22/02/45/565220245.db2.gz OITXPGNIBYIKIT-NSHDSACASA-N 0 1 377.286 3.330 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1cccc(F)c1 ZINC000294651475 565220982 /nfs/dbraw/zinc/22/09/82/565220982.db2.gz BXASFGDNMLBKDN-GFCCVEGCSA-N 0 1 395.272 3.391 20 0 GGADMN Cc1nn(C)c(CN[C@H](C)CCCNC(=O)OC(C)(C)C)c1Br ZINC000294673430 565222540 /nfs/dbraw/zinc/22/25/40/565222540.db2.gz ATHSXOIDMPOUOI-LLVKDONJSA-N 0 1 389.338 3.274 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000270560317 565222711 /nfs/dbraw/zinc/22/27/11/565222711.db2.gz JLFSAXCYIWEHCD-MRVPVSSYSA-N 0 1 393.332 3.100 20 0 GGADMN Cc1cccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1I ZINC000270605856 565223313 /nfs/dbraw/zinc/22/33/13/565223313.db2.gz DOPFAAFEOZDBRA-JTQLQIEISA-N 0 1 398.248 3.332 20 0 GGADMN Cc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270599509 565223539 /nfs/dbraw/zinc/22/35/39/565223539.db2.gz DONRDDUQQIVWAD-SECBINFHSA-N 0 1 384.267 3.359 20 0 GGADMN Cc1c(Cl)cc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270599510 565223986 /nfs/dbraw/zinc/22/39/86/565223986.db2.gz DONRDDUQQIVWAD-VIFPVBQESA-N 0 1 384.267 3.359 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(I)cc2C)n[nH]1 ZINC000270615576 565224051 /nfs/dbraw/zinc/22/40/51/565224051.db2.gz FJBOYBIDLUQINY-VIFPVBQESA-N 0 1 399.236 3.163 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(OC)c(OC)cc2Br)n[nH]1 ZINC000270664060 565224463 /nfs/dbraw/zinc/22/44/63/565224463.db2.gz KPXSALQXSUDCPA-QMMMGPOBSA-N 0 1 398.261 3.030 20 0 GGADMN CCc1nc([C@H](C)NCc2nc(-c3ccc(Br)cc3)c[nH]2)n[nH]1 ZINC000270639318 565225336 /nfs/dbraw/zinc/22/53/36/565225336.db2.gz HOQCSOOEJCYRFU-JTQLQIEISA-N 0 1 375.274 3.371 20 0 GGADMN CC(C)(C)c1ncc(CNCc2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000185859207 565225365 /nfs/dbraw/zinc/22/53/65/565225365.db2.gz NMOHWPDBPZMTJD-UHFFFAOYSA-N 0 1 379.551 3.270 20 0 GGADMN Brc1cc(Br)cc(CNCc2n[nH]c(C3CC3)n2)c1 ZINC000294771455 565226826 /nfs/dbraw/zinc/22/68/26/565226826.db2.gz KGRIDXNIKGNLJE-UHFFFAOYSA-N 0 1 386.091 3.497 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccccc2I)n[nH]1 ZINC000270751918 565227755 /nfs/dbraw/zinc/22/77/55/565227755.db2.gz MZQDPUREDPUDAZ-SECBINFHSA-N 0 1 384.221 3.024 20 0 GGADMN COc1cc(Br)c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000294788144 565227918 /nfs/dbraw/zinc/22/79/18/565227918.db2.gz BDJRJZPOPVVBBG-VIFPVBQESA-N 0 1 397.273 3.199 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CCCOc2ccccc2Br)n[nH]1 ZINC000270790306 565228429 /nfs/dbraw/zinc/22/84/29/565228429.db2.gz UXFARMMDCACAJC-NSHDSACASA-N 0 1 381.274 3.166 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000270779652 565228522 /nfs/dbraw/zinc/22/85/22/565228522.db2.gz SHUFCSDXYFGNMX-CABZTGNLSA-N 0 1 379.258 3.044 20 0 GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccc(Br)c(F)c1 ZINC000185909555 565228520 /nfs/dbraw/zinc/22/85/20/565228520.db2.gz OXQUDVAHYGBDSP-HNNXBMFYSA-N 0 1 385.664 3.428 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270788453 565229167 /nfs/dbraw/zinc/22/91/67/565229167.db2.gz VCRQJPBCSSFKFP-JTQLQIEISA-N 0 1 396.289 3.260 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCc1cccs1 ZINC000294823322 565230589 /nfs/dbraw/zinc/23/05/89/565230589.db2.gz RQFIZDCHHPWCOH-NSHDSACASA-N 0 1 383.311 3.314 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(C)nc1C(F)(F)F ZINC000185956597 565231096 /nfs/dbraw/zinc/23/10/96/565231096.db2.gz HZBRVFPZQQMEQF-UHFFFAOYSA-N 0 1 377.388 3.335 20 0 GGADMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C[C@H]1CCNC(=O)CC1 ZINC000294849702 565231975 /nfs/dbraw/zinc/23/19/75/565231975.db2.gz BAWQNGNGWWFSRY-LBTNJELSSA-N 0 1 381.314 3.127 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2c(Br)cnn2C)[nH]1 ZINC000294854308 565232136 /nfs/dbraw/zinc/23/21/36/565232136.db2.gz NQONDVKWQMMGDY-UHFFFAOYSA-N 0 1 389.257 3.343 20 0 GGADMN C[C@](O)(CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1cccc(Cl)c1 ZINC000372335970 565233008 /nfs/dbraw/zinc/23/30/08/565233008.db2.gz BZOQTDNPSOQQHF-AEFFLSMTSA-N 0 1 383.872 3.195 20 0 GGADMN CC(C)[C@H](CNC(=O)c1cc(Cl)c(F)cc1Cl)N1CCN(C)CC1 ZINC000294880905 565233156 /nfs/dbraw/zinc/23/31/56/565233156.db2.gz UTQOUDCZRIGOMJ-INIZCTEOSA-N 0 1 376.303 3.134 20 0 GGADMN CC(C)c1nc(CNc2ncc(Cn3cc(Br)cn3)s2)n[nH]1 ZINC000294919775 565235865 /nfs/dbraw/zinc/23/58/65/565235865.db2.gz JERYKQXWPBTYBE-UHFFFAOYSA-N 0 1 382.291 3.004 20 0 GGADMN CCOCCOCc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1C ZINC000271026291 565235901 /nfs/dbraw/zinc/23/59/01/565235901.db2.gz AMXYSRXJWWGISB-UHFFFAOYSA-N 0 1 384.885 3.397 20 0 GGADMN O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000186035438 565236389 /nfs/dbraw/zinc/23/63/89/565236389.db2.gz ZTILONSOIZOVQE-LBPRGKRZSA-N 0 1 376.806 3.153 20 0 GGADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1)C1CC1 ZINC000271052628 565237653 /nfs/dbraw/zinc/23/76/53/565237653.db2.gz QVOCDPWWQVECAZ-UHFFFAOYSA-N 0 1 379.869 3.047 20 0 GGADMN CC(C)c1nc(CNc2ncnc3ccc(I)cc32)n[nH]1 ZINC000294974504 565238320 /nfs/dbraw/zinc/23/83/20/565238320.db2.gz OKIJBOOLPCRSTH-UHFFFAOYSA-N 0 1 394.220 3.088 20 0 GGADMN Cc1nnc(SCC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[nH]1 ZINC000186089691 565239652 /nfs/dbraw/zinc/23/96/52/565239652.db2.gz IISYFYKNVFXROZ-UHFFFAOYSA-N 0 1 384.849 3.155 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)n1 ZINC000186089691 565239654 /nfs/dbraw/zinc/23/96/54/565239654.db2.gz IISYFYKNVFXROZ-UHFFFAOYSA-N 0 1 384.849 3.155 20 0 GGADMN COc1ccsc1[C@H](C)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000186131102 565242279 /nfs/dbraw/zinc/24/22/79/565242279.db2.gz SXHGKZUOQQGTFI-AWEZNQCLSA-N 0 1 380.535 3.392 20 0 GGADMN O=S(=O)(NCCC[C@@H]1CCCCO1)c1cc(F)c(Br)cc1F ZINC000186162194 565243524 /nfs/dbraw/zinc/24/35/24/565243524.db2.gz YDVIUVYMPCZBFO-JTQLQIEISA-N 0 1 398.269 3.355 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000271231378 565243707 /nfs/dbraw/zinc/24/37/07/565243707.db2.gz BEFAYFDPFPNSKW-UHFFFAOYSA-N 0 1 388.168 3.442 20 0 GGADMN CCCN(CC)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000271284324 565246364 /nfs/dbraw/zinc/24/63/64/565246364.db2.gz CUMNKVPHFGEPTR-UHFFFAOYSA-N 0 1 384.217 3.417 20 0 GGADMN O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000186232868 565248722 /nfs/dbraw/zinc/24/87/22/565248722.db2.gz NIHADGUPHQTUEX-UHFFFAOYSA-N 0 1 376.806 3.296 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(c2nc[nH]n2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000372682854 565249425 /nfs/dbraw/zinc/24/94/25/565249425.db2.gz TVTFSCRIIYRGQM-LLVKDONJSA-N 0 1 382.295 3.168 20 0 GGADMN COc1ccc(C[C@@H]2CCCN(C(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000372704659 565250396 /nfs/dbraw/zinc/25/03/96/565250396.db2.gz SFVKHDDOYAQXPP-ZDUSSCGKSA-N 0 1 395.575 3.409 20 0 GGADMN CC[C@H](CCc1ccc(Br)cc1)N[C@H](C(N)=O)c1ccccn1 ZINC000295197729 565250694 /nfs/dbraw/zinc/25/06/94/565250694.db2.gz YDNISPWJZKBRHK-WBVHZDCISA-N 0 1 376.298 3.372 20 0 GGADMN O=C(CCCN1CCC(F)(F)[C@@H](CO)C1)c1ccc(Br)cc1 ZINC000295216283 565251687 /nfs/dbraw/zinc/25/16/87/565251687.db2.gz QDVACFWAMPVTIV-CYBMUJFWSA-N 0 1 376.241 3.362 20 0 GGADMN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1cc(C)n[nH]1 ZINC000186299470 565253347 /nfs/dbraw/zinc/25/33/47/565253347.db2.gz YHWQYKWBIWMWAH-QGZVFWFLSA-N 0 1 394.313 3.177 20 0 GGADMN C[C@H]1C[C@@H](NC[C@H](O)CS(=O)(=O)c2cccs2)c2ccsc2S1 ZINC000271432667 565253366 /nfs/dbraw/zinc/25/33/66/565253366.db2.gz BFVPTMKHIPUZKZ-GMXVVIOVSA-N 0 1 389.589 3.159 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186303672 565253421 /nfs/dbraw/zinc/25/34/21/565253421.db2.gz BIAARUNWAZZPEM-LLVKDONJSA-N 0 1 378.826 3.116 20 0 GGADMN C[C@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271460136 565254402 /nfs/dbraw/zinc/25/44/02/565254402.db2.gz HJWDLGKQJFMOMO-BONVTDFDSA-N 0 1 389.851 3.406 20 0 GGADMN CN1CCN(c2ncccc2CNCc2cccc(F)c2Br)CC1 ZINC000295273287 565256576 /nfs/dbraw/zinc/25/65/76/565256576.db2.gz VWIURQOKOYBPDL-UHFFFAOYSA-N 0 1 393.304 3.025 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(F)cc1OCC(F)F ZINC000271528062 565256962 /nfs/dbraw/zinc/25/69/62/565256962.db2.gz RTDMXKZRJDPDPE-UHFFFAOYSA-N 0 1 381.426 3.341 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)CC[S@](C)=O)nnn1-c1cccc(Br)c1 ZINC000271516744 565257379 /nfs/dbraw/zinc/25/73/79/565257379.db2.gz PSQZUJKTKOTRNL-WCBZVUCDSA-N 0 1 399.358 3.146 20 0 GGADMN CCCN1C(=O)CCc2cc(NC(=O)CSc3n[nH]c(=S)s3)ccc21 ZINC000271536457 565258012 /nfs/dbraw/zinc/25/80/12/565258012.db2.gz UUVPVTLBIPYYLN-UHFFFAOYSA-N 0 1 394.547 3.247 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000295331260 565259843 /nfs/dbraw/zinc/25/98/43/565259843.db2.gz BQJRRSYRNIBCDK-JTQLQIEISA-N 0 1 383.265 3.325 20 0 GGADMN O=C(CCc1cc(Cl)ccc1Br)NCc1n[nH]c(C2CC2)n1 ZINC000295327697 565260026 /nfs/dbraw/zinc/26/00/26/565260026.db2.gz DLOSETASSAROCS-UHFFFAOYSA-N 0 1 383.677 3.347 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)C1(Cc2ccccc2Br)CC1 ZINC000295340752 565260064 /nfs/dbraw/zinc/26/00/64/565260064.db2.gz FKFABGJZJFKCOO-UHFFFAOYSA-N 0 1 375.270 3.084 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000271601773 565260133 /nfs/dbraw/zinc/26/01/33/565260133.db2.gz ZOLISTHFNKUCRV-SJKOYZFVSA-N 0 1 398.322 3.237 20 0 GGADMN COc1cc(Br)c(C(=O)Nc2cc(CN(C)C)ccn2)cc1OC ZINC000295347256 565261283 /nfs/dbraw/zinc/26/12/83/565261283.db2.gz QBVTVUXWDPXQLC-UHFFFAOYSA-N 0 1 394.269 3.175 20 0 GGADMN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295404135 565263435 /nfs/dbraw/zinc/26/34/35/565263435.db2.gz KKPVYISQXQJIFT-SECBINFHSA-N 0 1 381.299 3.242 20 0 GGADMN CC(C)c1nc(CNC(=O)C2(Cc3ccccc3Br)CC2)n[nH]1 ZINC000295393605 565263928 /nfs/dbraw/zinc/26/39/28/565263928.db2.gz JIYAOQCAIBZMRF-UHFFFAOYSA-N 0 1 377.286 3.330 20 0 GGADMN C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H](CCO)c1ccco1 ZINC000186520598 565265474 /nfs/dbraw/zinc/26/54/74/565265474.db2.gz XOOWPZMBNZLTEJ-WFASDCNBSA-N 0 1 381.270 3.473 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3cc(Cl)c(N)c(Cl)c3)C2=O)n(C)n1 ZINC000271714118 565266119 /nfs/dbraw/zinc/26/61/19/565266119.db2.gz NBARHODOGRVKKR-QMTHXVAHSA-N 0 1 382.295 3.074 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)CN[C@@H](CCO)c1ccccc1 ZINC000271762776 565267167 /nfs/dbraw/zinc/26/71/67/565267167.db2.gz MOXBYOGBUXLNOT-INIZCTEOSA-N 0 1 397.338 3.182 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(Cl)c(Br)cc2F)n[nH]1 ZINC000295494428 565268958 /nfs/dbraw/zinc/26/89/58/565268958.db2.gz RXDOFENKFKORLY-UHFFFAOYSA-N 0 1 375.629 3.413 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCc1ccccc1Cl ZINC000271849085 565269851 /nfs/dbraw/zinc/26/98/51/565269851.db2.gz VSNQXLVUDHMIMS-KXTXEXGHSA-N 0 1 378.925 3.433 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271853056 565270096 /nfs/dbraw/zinc/27/00/96/565270096.db2.gz WRVUNJAHZQDLBC-XELLLNAOSA-N 0 1 380.897 3.375 20 0 GGADMN CC(C)c1nc(CNC(=O)CSCc2ccc(Br)cc2)n[nH]1 ZINC000295509976 565270461 /nfs/dbraw/zinc/27/04/61/565270461.db2.gz UCBLEJBLVGIPHQ-UHFFFAOYSA-N 0 1 383.315 3.240 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(Cl)cc(Br)c2F)n[nH]1 ZINC000295521217 565271760 /nfs/dbraw/zinc/27/17/60/565271760.db2.gz UZLMQNQQJJWOQB-UHFFFAOYSA-N 0 1 375.629 3.413 20 0 GGADMN O=C(Nc1cccc(CNCc2cncc(Br)c2)c1)[C@H]1CCCO1 ZINC000186605605 565272145 /nfs/dbraw/zinc/27/21/45/565272145.db2.gz MKNZSSCHQZLFHY-QGZVFWFLSA-N 0 1 390.281 3.251 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000186620924 565272261 /nfs/dbraw/zinc/27/22/61/565272261.db2.gz GUVKYMIWIAYTAD-KGLIPLIRSA-N 0 1 385.291 3.104 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000186636687 565273239 /nfs/dbraw/zinc/27/32/39/565273239.db2.gz KBYSJOBXQWTEIO-UHFFFAOYSA-N 0 1 384.929 3.220 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000186632001 565273343 /nfs/dbraw/zinc/27/33/43/565273343.db2.gz FWSWUCFHQZEYGT-UHFFFAOYSA-N 0 1 384.929 3.220 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cc(Br)cs1 ZINC000186650014 565274461 /nfs/dbraw/zinc/27/44/61/565274461.db2.gz BHOKGTQHFXHRNV-UHFFFAOYSA-N 0 1 393.266 3.138 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 ZINC000186640176 565274596 /nfs/dbraw/zinc/27/45/96/565274596.db2.gz IUECDSZGCKYSDQ-ZZXKWVIFSA-N 0 1 385.291 3.404 20 0 GGADMN CC(C)(C[C@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1)C(N)=O ZINC000295580022 565275088 /nfs/dbraw/zinc/27/50/88/565275088.db2.gz LXDSWMZXCOPZGK-CJNGLKHVSA-N 0 1 383.330 3.096 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(C)=O)C2 ZINC000373207440 565275310 /nfs/dbraw/zinc/27/53/10/565275310.db2.gz WKVFUXSSVIZUIZ-UHFFFAOYSA-N 0 1 380.853 3.012 20 0 GGADMN Cc1cc(Br)c(CNC[C@H]2CCCS(=O)(=O)C2)cc1Cl ZINC000295595133 565276355 /nfs/dbraw/zinc/27/63/55/565276355.db2.gz CJXOPXFUVZQDBC-LLVKDONJSA-N 0 1 380.735 3.325 20 0 GGADMN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000272079253 565276898 /nfs/dbraw/zinc/27/68/98/565276898.db2.gz KNPFNISEKYIYIH-XLKFXECMSA-N 0 1 397.228 3.410 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)c1nccs1 ZINC000186679371 565277092 /nfs/dbraw/zinc/27/70/92/565277092.db2.gz SBAHEKVFGNBQOX-ZETCQYMHSA-N 0 1 397.266 3.266 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000186669598 565277393 /nfs/dbraw/zinc/27/73/93/565277393.db2.gz JEEGQUUMLANVSS-HNNXBMFYSA-N 0 1 384.929 3.220 20 0 GGADMN Cn1nncc1CNCCOc1c(Cl)cc(Br)cc1Cl ZINC000272087211 565277396 /nfs/dbraw/zinc/27/73/96/565277396.db2.gz SDQXAVGUIJOWJB-UHFFFAOYSA-N 0 1 380.073 3.053 20 0 GGADMN O=S(=O)(c1c(Cl)ccnc1Cl)N1CCC[C@H]1CN1CCCCC1 ZINC000272156406 565279174 /nfs/dbraw/zinc/27/91/74/565279174.db2.gz DIOIOWDYWDLVMV-LBPRGKRZSA-N 0 1 378.325 3.027 20 0 GGADMN CC(C)Oc1cc(Br)ccc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295701101 565283075 /nfs/dbraw/zinc/28/30/75/565283075.db2.gz KEUNVNIWHGDMKZ-UHFFFAOYSA-N 0 1 381.274 3.408 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)CCN(C)C1CC1 ZINC000186763904 565283591 /nfs/dbraw/zinc/28/35/91/565283591.db2.gz FLEYAJXIFZKAQQ-CYBMUJFWSA-N 0 1 381.314 3.211 20 0 GGADMN COc1ccc([C@H](NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2Cl)cc1 ZINC000272341091 565285232 /nfs/dbraw/zinc/28/52/32/565285232.db2.gz YTWFUAJGRXYZGD-LIRRHRJNSA-N 0 1 379.909 3.462 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCOc2c(Br)cccc2C1 ZINC000373425265 565285280 /nfs/dbraw/zinc/28/52/80/565285280.db2.gz HLMNHMDHZKBNOI-UHFFFAOYSA-N 0 1 399.244 3.325 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1Br ZINC000186798796 565285911 /nfs/dbraw/zinc/28/59/11/565285911.db2.gz IBVKQOHCLDLING-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN O=C(Nc1cccc(CN[C@@H]2COC[C@H]2O)c1)c1ccc(Cl)cc1Cl ZINC000295769047 565286071 /nfs/dbraw/zinc/28/60/71/565286071.db2.gz YIZOFBAATQUKOM-IAGOWNOFSA-N 0 1 381.259 3.095 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H]1CCCn2cc(C)nc21 ZINC000373459712 565286682 /nfs/dbraw/zinc/28/66/82/565286682.db2.gz GJTJBHUDUXWNBQ-HNNXBMFYSA-N 0 1 381.929 3.306 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCSC2(CCOCC2)C1 ZINC000186831002 565288815 /nfs/dbraw/zinc/28/88/15/565288815.db2.gz WULOZCVKFSKXHZ-OAHLLOKOSA-N 0 1 382.957 3.457 20 0 GGADMN CC(C)[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272475084 565289188 /nfs/dbraw/zinc/28/91/88/565289188.db2.gz SELCEVPYSWTNLH-OALUTQOASA-N 0 1 381.925 3.439 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCSC2(CCOCC2)C1 ZINC000186850901 565290274 /nfs/dbraw/zinc/29/02/74/565290274.db2.gz ASQUBFIYTBBOAW-MRXNPFEDSA-N 0 1 380.579 3.182 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CN1CCSC2(CCOCC2)C1 ZINC000186850920 565290341 /nfs/dbraw/zinc/29/03/41/565290341.db2.gz ASQUBFIYTBBOAW-INIZCTEOSA-N 0 1 380.579 3.182 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCSC2(CCOCC2)C1 ZINC000186846733 565290442 /nfs/dbraw/zinc/29/04/42/565290442.db2.gz RXDQDBWHUDTIDV-CYBMUJFWSA-N 0 1 399.354 3.374 20 0 GGADMN Cc1c(Br)scc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000186850868 565290473 /nfs/dbraw/zinc/29/04/73/565290473.db2.gz PPHLOBIQHDLTMX-UHFFFAOYSA-N 0 1 396.310 3.232 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCCc2ccccc2Br)C[C@H](C)O1 ZINC000161710620 565291713 /nfs/dbraw/zinc/29/17/13/565291713.db2.gz AAEQVWHYEPSSGM-IYBDPMFKSA-N 0 1 397.357 3.387 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(Br)c(O)c1 ZINC000161749050 565292834 /nfs/dbraw/zinc/29/28/34/565292834.db2.gz VELICIMAGRYEPX-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000161757359 565293137 /nfs/dbraw/zinc/29/31/37/565293137.db2.gz XKDQLEVUZWYJLI-ZDUSSCGKSA-N 0 1 386.470 3.135 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000161770297 565293206 /nfs/dbraw/zinc/29/32/06/565293206.db2.gz FYQKTBMHFZGIRR-AWEZNQCLSA-N 0 1 382.507 3.304 20 0 GGADMN Cn1ccnc1[C@@](O)(CNCc1ccc(SC(F)F)cc1)C(F)(F)F ZINC000272690241 565294130 /nfs/dbraw/zinc/29/41/30/565294130.db2.gz DEKLNVBOEQAWCJ-AWEZNQCLSA-N 0 1 381.370 3.275 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCCc1ccccc1Br ZINC000186898802 565294396 /nfs/dbraw/zinc/29/43/96/565294396.db2.gz FEDOEXWZSLECCL-OAHLLOKOSA-N 0 1 397.357 3.075 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccncc1Br ZINC000272678032 565294433 /nfs/dbraw/zinc/29/44/33/565294433.db2.gz MRUUUQCKAIUHQQ-CQSZACIVSA-N 0 1 379.258 3.396 20 0 GGADMN CC[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(Cl)c1F ZINC000161821675 565294448 /nfs/dbraw/zinc/29/44/48/565294448.db2.gz STSSFIZGJBALDI-CJNGLKHVSA-N 0 1 392.924 3.008 20 0 GGADMN COc1ccc(C)cc1CCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161848082 565295437 /nfs/dbraw/zinc/29/54/37/565295437.db2.gz BJNLDPHNRVWSDV-QGZVFWFLSA-N 0 1 377.282 3.125 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000186909844 565295505 /nfs/dbraw/zinc/29/55/05/565295505.db2.gz YXWURJRRZOVFOD-DAXOMENPSA-N 0 1 385.335 3.401 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000186932920 565296340 /nfs/dbraw/zinc/29/63/40/565296340.db2.gz XOUATKLFKCVLOR-OAHLLOKOSA-N 0 1 383.330 3.002 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cccc(Br)c3)no2)[C@@H]2CCO[C@H]21 ZINC000296061887 565299574 /nfs/dbraw/zinc/29/95/74/565299574.db2.gz GGHPZGGRFGIQCD-NWANDNLSSA-N 0 1 378.270 3.402 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccccc3Br)o2)[C@@H]2CCO[C@H]21 ZINC000296056479 565299635 /nfs/dbraw/zinc/29/96/35/565299635.db2.gz FZJDKJTWLNCTQS-NILFDRSVSA-N 0 1 378.270 3.402 20 0 GGADMN CCn1cc([C@@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)cn1 ZINC000296051434 565299794 /nfs/dbraw/zinc/29/97/94/565299794.db2.gz NQZDWSNYPNVFGA-CHWSQXEVSA-N 0 1 379.302 3.194 20 0 GGADMN C[C@H](NC(=O)NCCN1CCCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000186989461 565300554 /nfs/dbraw/zinc/30/05/54/565300554.db2.gz JPDHZQWXCWTBCH-NSHDSACASA-N 0 1 378.275 3.215 20 0 GGADMN O=C(c1nc2cc(Cl)ccc2s1)N1CCC(CN2CCOCC2)CC1 ZINC000296089784 565300968 /nfs/dbraw/zinc/30/09/68/565300968.db2.gz FQQLAXQEKYVLSF-UHFFFAOYSA-N 0 1 379.913 3.134 20 0 GGADMN CCn1cc([C@@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cn1 ZINC000296102915 565302341 /nfs/dbraw/zinc/30/23/41/565302341.db2.gz QCAQEPJBTQLAAK-ZIAGYGMSSA-N 0 1 393.329 3.363 20 0 GGADMN Cc1cc(C2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)CC2)[nH]n1 ZINC000272957251 565303195 /nfs/dbraw/zinc/30/31/95/565303195.db2.gz NGFBJBATZXDVSJ-INIZCTEOSA-N 0 1 395.276 3.026 20 0 GGADMN Cc1cc(C2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)[nH]n1 ZINC000272957258 565303217 /nfs/dbraw/zinc/30/32/17/565303217.db2.gz NGFBJBATZXDVSJ-MRXNPFEDSA-N 0 1 395.276 3.026 20 0 GGADMN CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000162094842 565304216 /nfs/dbraw/zinc/30/42/16/565304216.db2.gz TVULDVXZOGSAGC-NSHDSACASA-N 0 1 394.269 3.251 20 0 GGADMN CC(C)Oc1ccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c(F)c1 ZINC000296137307 565304587 /nfs/dbraw/zinc/30/45/87/565304587.db2.gz ZLUMUOQJGNBZDA-UHFFFAOYSA-N 0 1 381.351 3.166 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3ccc(Br)s3)no2)[C@H]2CCO[C@H]21 ZINC000296170007 565305722 /nfs/dbraw/zinc/30/57/22/565305722.db2.gz KYEAUDFKQHUXMF-BZHVJNSISA-N 0 1 384.299 3.464 20 0 GGADMN NC(=O)[C@@H](N[C@H]1CCCN(c2ccccc2)C1)c1cccc(Br)c1 ZINC000162131630 565305935 /nfs/dbraw/zinc/30/59/35/565305935.db2.gz IEYVYONJPGUFDY-WMZOPIPTSA-N 0 1 388.309 3.234 20 0 GGADMN NC(=O)[C@@H](N[C@@H]1CCCN(c2ccccc2)C1)c1cccc(Br)c1 ZINC000162131738 565306076 /nfs/dbraw/zinc/30/60/76/565306076.db2.gz IEYVYONJPGUFDY-AEFFLSMTSA-N 0 1 388.309 3.234 20 0 GGADMN CCn1nc(C)c(CNc2nccn2Cc2ccc(Br)cc2)n1 ZINC000296161348 565306059 /nfs/dbraw/zinc/30/60/59/565306059.db2.gz XHWKNXADRZJNAS-UHFFFAOYSA-N 0 1 375.274 3.226 20 0 GGADMN NC(=O)[C@@H](NCC1(c2cccc(F)c2)CC1)c1cccc(Br)c1 ZINC000162146992 565306241 /nfs/dbraw/zinc/30/62/41/565306241.db2.gz ZYLODPDTEVFBNE-INIZCTEOSA-N 0 1 377.257 3.436 20 0 GGADMN O=C1O[C@@H](CN[C@@H](CO)c2ccc(Br)cc2)CN1c1ccccc1 ZINC000273083544 565306954 /nfs/dbraw/zinc/30/69/54/565306954.db2.gz HXRCIDQZGBTYOB-IRXDYDNUSA-N 0 1 391.265 3.098 20 0 GGADMN Cc1ccccc1O[C@H](C)CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162173335 565307130 /nfs/dbraw/zinc/30/71/30/565307130.db2.gz YDUXPGIXIQYQPD-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN Cc1ccc(O[C@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162173791 565307463 /nfs/dbraw/zinc/30/74/63/565307463.db2.gz OHGAFFDFHMFLNQ-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN COc1ccc(O[C@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162175906 565307496 /nfs/dbraw/zinc/30/74/96/565307496.db2.gz KTNJUDZDDALIEI-PXAZEXFGSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccccc1O[C@H](C)CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162176978 565307508 /nfs/dbraw/zinc/30/75/08/565307508.db2.gz BYEBOKONYPDHNM-SJKOYZFVSA-N 0 1 393.281 3.041 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000187075743 565307643 /nfs/dbraw/zinc/30/76/43/565307643.db2.gz ZKBDDTFUEMLYTG-CYBMUJFWSA-N 0 1 377.535 3.136 20 0 GGADMN Cc1ccc(O[C@@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162173692 565307932 /nfs/dbraw/zinc/30/79/32/565307932.db2.gz OHGAFFDFHMFLNQ-SUMWQHHRSA-N 0 1 377.282 3.341 20 0 GGADMN CC(=O)NC1CCC(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000273141453 565309298 /nfs/dbraw/zinc/30/92/98/565309298.db2.gz VRTBIXBJYIXWIT-UHFFFAOYSA-N 0 1 382.295 3.111 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CCN(CC(F)(F)F)C1 ZINC000187130163 565311270 /nfs/dbraw/zinc/31/12/70/565311270.db2.gz XHCAPNFLWSWEFZ-GFCCVEGCSA-N 0 1 398.878 3.107 20 0 GGADMN NC(=O)[C@@H](NC1CCN(c2cccs2)CC1)c1cccc(Br)c1 ZINC000162253788 565311376 /nfs/dbraw/zinc/31/13/76/565311376.db2.gz CIZJZMIBLBUZPU-INIZCTEOSA-N 0 1 394.338 3.296 20 0 GGADMN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)[C@H]1COc2ccccc21 ZINC000162308040 565312921 /nfs/dbraw/zinc/31/29/21/565312921.db2.gz JNOAXCJHVRTWPR-CXMBCZLWSA-N 0 1 375.266 3.130 20 0 GGADMN COc1c(Br)cccc1CNCc1cccc(CS(C)(=O)=O)c1 ZINC000187176558 565314517 /nfs/dbraw/zinc/31/45/17/565314517.db2.gz SCLZKGSWUIIELT-UHFFFAOYSA-N 0 1 398.322 3.292 20 0 GGADMN O[C@@H](CN1CCC(n2cc(Br)cn2)CC1)c1ccc(F)cc1F ZINC000374009679 565315365 /nfs/dbraw/zinc/31/53/65/565315365.db2.gz FHBHMSOBXJKLHI-INIZCTEOSA-N 0 1 386.240 3.294 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273297405 565315535 /nfs/dbraw/zinc/31/55/35/565315535.db2.gz AKYNPDGXUZVTFM-NWDGAFQWSA-N 0 1 385.511 3.095 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)CCOc2ccc(Br)cc2F)n[nH]1 ZINC000162402606 565315907 /nfs/dbraw/zinc/31/59/07/565315907.db2.gz JKZNXEKXNAJNJZ-SNVBAGLBSA-N 0 1 384.249 3.136 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCCCCS(C)(=O)=O)n1 ZINC000162426974 565316044 /nfs/dbraw/zinc/31/60/44/565316044.db2.gz WWCYJTDIPSXCOS-UHFFFAOYSA-N 0 1 375.903 3.051 20 0 GGADMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000374013128 565316325 /nfs/dbraw/zinc/31/63/25/565316325.db2.gz ZFNQUBIASGIHKO-ZIAGYGMSSA-N 0 1 383.334 3.072 20 0 GGADMN COc1ccc(C2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000374043426 565317099 /nfs/dbraw/zinc/31/70/99/565317099.db2.gz OOPLEMIISMVIGL-UHFFFAOYSA-N 0 1 381.548 3.334 20 0 GGADMN CNC(=O)c1cccc(CCN[C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187234081 565317991 /nfs/dbraw/zinc/31/79/91/565317991.db2.gz NGYHNGVPPOWEEM-NSHDSACASA-N 0 1 380.261 3.236 20 0 GGADMN O=S(=O)(Cc1cc(Cl)ccc1F)Nc1ccc(-c2cncnc2)cn1 ZINC000374073650 565318334 /nfs/dbraw/zinc/31/83/34/565318334.db2.gz BWURPUPOXKAFSL-UHFFFAOYSA-N 0 1 378.816 3.273 20 0 GGADMN CCOc1ccc(Br)cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296448053 565318378 /nfs/dbraw/zinc/31/83/78/565318378.db2.gz KBPXFMBUGVIFHC-UHFFFAOYSA-N 0 1 380.246 3.165 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNCCCc1nc2ccccc2[nH]1 ZINC000273385124 565318489 /nfs/dbraw/zinc/31/84/89/565318489.db2.gz GWLIXTPYITWRRA-UHFFFAOYSA-N 0 1 377.897 3.342 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1Br ZINC000374100396 565319548 /nfs/dbraw/zinc/31/95/48/565319548.db2.gz SUIOBMJTJRBBDM-VTPLQMEGSA-N 0 1 384.318 3.136 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](CCO)c1ccccc1 ZINC000187259883 565319783 /nfs/dbraw/zinc/31/97/83/565319783.db2.gz VSWXJHCKTSUEBC-MRXNPFEDSA-N 0 1 381.925 3.389 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccsc2Cl)CN1Cc1ccccc1 ZINC000187285756 565320211 /nfs/dbraw/zinc/32/02/11/565320211.db2.gz ZLLQNBODIHYFJF-JSGCOSHPSA-N 0 1 377.897 3.119 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ncc(Br)cc1F ZINC000187294328 565321640 /nfs/dbraw/zinc/32/16/40/565321640.db2.gz DIAHUUMZZBDLNA-ZYHUDNBSSA-N 0 1 383.240 3.447 20 0 GGADMN C[C@H](O)C[C@@H](CNCc1c(Cl)cccc1S(C)(=O)=O)c1ccccc1 ZINC000273466799 565322448 /nfs/dbraw/zinc/32/24/48/565322448.db2.gz NVCLUGFAEVRMJL-HOCLYGCPSA-N 0 1 381.925 3.388 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000162635788 565323260 /nfs/dbraw/zinc/32/32/60/565323260.db2.gz QIECNIUIALAEOQ-HOTGVXAUSA-N 0 1 395.341 3.123 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000273499192 565323961 /nfs/dbraw/zinc/32/39/61/565323961.db2.gz YHYVOEIIRCZOSK-HNNXBMFYSA-N 0 1 378.925 3.360 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000162676858 565324309 /nfs/dbraw/zinc/32/43/09/565324309.db2.gz USCCYGAQAOFJOE-CJNGLKHVSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000162676858 565324317 /nfs/dbraw/zinc/32/43/17/565324317.db2.gz USCCYGAQAOFJOE-CJNGLKHVSA-N 0 1 379.298 3.244 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@](C)(O)c1ccc(F)cc1 ZINC000187341597 565325219 /nfs/dbraw/zinc/32/52/19/565325219.db2.gz MLLOJUZWYBZOOI-SFHVURJKSA-N 0 1 385.888 3.270 20 0 GGADMN Cn1c2cc(Br)ccc2nc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000296592470 565325313 /nfs/dbraw/zinc/32/53/13/565325313.db2.gz FRHTUEOPYRBTPY-ZDUSSCGKSA-N 0 1 375.274 3.181 20 0 GGADMN CC(C)c1nc(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)n[nH]1 ZINC000296625323 565326740 /nfs/dbraw/zinc/32/67/40/565326740.db2.gz ALLHUTZSLJVGCM-UHFFFAOYSA-N 0 1 379.262 3.285 20 0 GGADMN Cc1nc(Cl)ccc1NC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000296617216 565327086 /nfs/dbraw/zinc/32/70/86/565327086.db2.gz BAXGPEGLHLABDR-MWLCHTKSSA-N 0 1 378.782 3.107 20 0 GGADMN Cn1ccnc1C[C@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187367910 565327995 /nfs/dbraw/zinc/32/79/95/565327995.db2.gz LDTPELHIKRMHNA-DYVFJYSZSA-N 0 1 396.304 3.310 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000374259036 565328009 /nfs/dbraw/zinc/32/80/09/565328009.db2.gz XRXSAHLWFAXLQY-MAUKXSAKSA-N 0 1 394.313 3.279 20 0 GGADMN Cc1cc2c(cc1C)[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000187393189 565328671 /nfs/dbraw/zinc/32/86/71/565328671.db2.gz RENLGPPUVPSERF-GOEBONIOSA-N 0 1 397.587 3.326 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)Nc3ncc(C4CCOCC4)s3)ccc2O1 ZINC000296670068 565328860 /nfs/dbraw/zinc/32/88/60/565328860.db2.gz GSCDYBAEYCOWIC-NSHDSACASA-N 0 1 380.491 3.161 20 0 GGADMN Cc1cccc(S(=O)(=O)N2CCCC23CCN(C)CC3)c1Br ZINC000374295514 565330455 /nfs/dbraw/zinc/33/04/55/565330455.db2.gz MZQWJBOMNLLGME-UHFFFAOYSA-N 0 1 387.343 3.006 20 0 GGADMN NCc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)co1 ZINC000187418950 565331205 /nfs/dbraw/zinc/33/12/05/565331205.db2.gz REHIAVMXTLDGMX-HNNXBMFYSA-N 0 1 382.247 3.288 20 0 GGADMN Cn1cc([C@@H](O)C[C@H]2CCCN2CCOc2ccccc2Br)cn1 ZINC000374315917 565331226 /nfs/dbraw/zinc/33/12/26/565331226.db2.gz GPUYVKKEHZYJNQ-WBVHZDCISA-N 0 1 394.313 3.150 20 0 GGADMN COc1ccc(Br)cc1CNc1ccc(N2CCN(C)CC2)nc1 ZINC000162895720 565331550 /nfs/dbraw/zinc/33/15/50/565331550.db2.gz YMQJUZSAKVGBQQ-UHFFFAOYSA-N 0 1 391.313 3.217 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Nc2cc(Br)cc3nc(C)oc32)n[nH]1 ZINC000296720547 565331879 /nfs/dbraw/zinc/33/18/79/565331879.db2.gz JGAMJDVQHLKZNV-ZCFIWIBFSA-N 0 1 379.218 3.208 20 0 GGADMN O=C(CN1CC[C@@H](C2CCOCC2)C1)Nc1ccc(Br)cc1F ZINC000374342333 565332104 /nfs/dbraw/zinc/33/21/04/565332104.db2.gz SVHHYXXCECAXOQ-CYBMUJFWSA-N 0 1 385.277 3.275 20 0 GGADMN O=C(CNCc1ccc(Br)s1)N[C@@H]1CCOc2ccccc21 ZINC000374331107 565332749 /nfs/dbraw/zinc/33/27/49/565332749.db2.gz XZOAOHJRAVMLHX-CYBMUJFWSA-N 0 1 381.295 3.240 20 0 GGADMN COc1cc(CN[C@H]2CN(C)Cc3ccccc32)cc(Br)c1O ZINC000374330796 565333077 /nfs/dbraw/zinc/33/30/77/565333077.db2.gz JCAJRIRBIOOUFH-INIZCTEOSA-N 0 1 377.282 3.440 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CCS1 ZINC000187456535 565333548 /nfs/dbraw/zinc/33/35/48/565333548.db2.gz DBVKFYDFYCQBRS-DOMZBBRYSA-N 0 1 375.460 3.455 20 0 GGADMN O=C(NCc1ccc2c(c1)OCCO2)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187464924 565334739 /nfs/dbraw/zinc/33/47/39/565334739.db2.gz NJCBXRAHCUFXBM-UHFFFAOYSA-N 0 1 375.837 3.493 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1(C)C ZINC000187484898 565335857 /nfs/dbraw/zinc/33/58/57/565335857.db2.gz LGPINQUYBCCLPV-SJCJKPOMSA-N 0 1 380.901 3.330 20 0 GGADMN O=C(Nc1ccnc(Br)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000296768289 565335775 /nfs/dbraw/zinc/33/57/75/565335775.db2.gz FRDGNLBZKJPPQX-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1(C)C ZINC000187484937 565336075 /nfs/dbraw/zinc/33/60/75/565336075.db2.gz LGPINQUYBCCLPV-YVEFUNNKSA-N 0 1 380.901 3.330 20 0 GGADMN CN(CCNCc1cc(F)cc(C(F)(F)F)c1)S(=O)(=O)c1cccs1 ZINC000163112458 565336206 /nfs/dbraw/zinc/33/62/06/565336206.db2.gz SDLASIUBVRYCBM-UHFFFAOYSA-N 0 1 396.431 3.316 20 0 GGADMN CC1([C@@H]2CCCN(C[C@H](O)c3ccc(F)c(Br)c3)C2)OCCO1 ZINC000187481892 565336260 /nfs/dbraw/zinc/33/62/60/565336260.db2.gz LPZKIRUNDLFKKA-CJNGLKHVSA-N 0 1 388.277 3.097 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374391831 565336847 /nfs/dbraw/zinc/33/68/47/565336847.db2.gz JTEZPPULQPTNHD-UONOGXRCSA-N 0 1 390.281 3.338 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374391833 565337096 /nfs/dbraw/zinc/33/70/96/565337096.db2.gz JTEZPPULQPTNHD-ZIAGYGMSSA-N 0 1 390.281 3.338 20 0 GGADMN Brc1csc(-c2noc(CN3CC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374400702 565337797 /nfs/dbraw/zinc/33/77/97/565337797.db2.gz BFURECUTPNFYJF-GHMZBOCLSA-N 0 1 384.299 3.419 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)c(C)c1C ZINC000296833666 565339967 /nfs/dbraw/zinc/33/99/67/565339967.db2.gz WRPMTYVLIIIJRP-UHFFFAOYSA-N 0 1 382.507 3.463 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2cc(Cl)ccc2F)cc1F ZINC000187560544 565340472 /nfs/dbraw/zinc/34/04/72/565340472.db2.gz GEWABKHRZJNVOL-UHFFFAOYSA-N 0 1 386.851 3.448 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000163313449 565342293 /nfs/dbraw/zinc/34/22/93/565342293.db2.gz HDLJWUYMHBGFNR-KBPBESRZSA-N 0 1 390.281 3.480 20 0 GGADMN C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)c(Br)c1 ZINC000374525513 565343299 /nfs/dbraw/zinc/34/32/99/565343299.db2.gz CFPZHBFKMYMLSZ-MEDUHNTESA-N 0 1 385.277 3.019 20 0 GGADMN COc1ccc(C(=O)NCCN[C@@H](C)c2cc(Br)ncc2F)cc1 ZINC000273888217 565343700 /nfs/dbraw/zinc/34/37/00/565343700.db2.gz SORQGLXVHWTDBJ-NSHDSACASA-N 0 1 396.260 3.072 20 0 GGADMN Fc1cc(Br)c(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1F ZINC000273903520 565344564 /nfs/dbraw/zinc/34/45/64/565344564.db2.gz HALOAHHTQYXBSK-AMIZOPFISA-N 0 1 386.196 3.313 20 0 GGADMN CC(C)Sc1n[nH]c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000163399599 565345479 /nfs/dbraw/zinc/34/54/79/565345479.db2.gz LICUJECFVSVMDV-UHFFFAOYSA-N 0 1 380.417 3.266 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)n[nH]1 ZINC000273920979 565346116 /nfs/dbraw/zinc/34/61/16/565346116.db2.gz FSWMMDDSIVCERL-UHFFFAOYSA-N 0 1 398.326 3.190 20 0 GGADMN CCS(=O)(=O)CCN[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000163521891 565347794 /nfs/dbraw/zinc/34/77/94/565347794.db2.gz DYIDKCPLOPBGFB-OAHLLOKOSA-N 0 1 380.535 3.220 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000297003116 565350000 /nfs/dbraw/zinc/35/00/00/565350000.db2.gz PGHUWEARKKYEQI-POHZPAGDSA-N 0 1 383.275 3.285 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706851 565350313 /nfs/dbraw/zinc/35/03/13/565350313.db2.gz WAUUUSVCTJDBOW-HNNXBMFYSA-N 0 1 377.231 3.478 20 0 GGADMN CN(C)c1ncccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000187733649 565351408 /nfs/dbraw/zinc/35/14/08/565351408.db2.gz MJQGLJWMYDYJJL-UHFFFAOYSA-N 0 1 377.800 3.203 20 0 GGADMN CN(CC(=O)NC1(c2ccc(Br)cc2)CCC1)[C@H]1CCSC1 ZINC000163793604 565351506 /nfs/dbraw/zinc/35/15/06/565351506.db2.gz AJIYMSDUFCUIEN-HNNXBMFYSA-N 0 1 383.355 3.382 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(c2nccs2)CC1 ZINC000187753364 565352214 /nfs/dbraw/zinc/35/22/14/565352214.db2.gz MDFLMGFFVMUSCL-UHFFFAOYSA-N 0 1 379.898 3.211 20 0 GGADMN O=C(c1ccc(Br)cc1Br)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000163929147 565352330 /nfs/dbraw/zinc/35/23/30/565352330.db2.gz YTXMOOCDSPABBB-PHIMTYICSA-N 0 1 388.103 3.178 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCc3nc[nH]n3)CC2)ccc1Br ZINC000187766435 565353472 /nfs/dbraw/zinc/35/34/72/565353472.db2.gz ZPAVDHYEMMOMLE-UHFFFAOYSA-N 0 1 377.286 3.214 20 0 GGADMN O=C(NCc1nnc2n1CCCCC2)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187771146 565353639 /nfs/dbraw/zinc/35/36/39/565353639.db2.gz KSEZFLHFQDYOEX-UHFFFAOYSA-N 0 1 376.873 3.040 20 0 GGADMN O=c1cc(CN2CCC(n3cc(Cl)cn3)CC2)nc2ccc(Cl)cn12 ZINC000374822398 565355322 /nfs/dbraw/zinc/35/53/22/565355322.db2.gz DXYDDRCBMHCXIS-UHFFFAOYSA-N 0 1 378.263 3.035 20 0 GGADMN CNC(=O)CC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000164044779 565355415 /nfs/dbraw/zinc/35/54/15/565355415.db2.gz NMOHMLJGLMQVKB-UHFFFAOYSA-N 0 1 376.298 3.345 20 0 GGADMN CCSc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccn1 ZINC000187788933 565355872 /nfs/dbraw/zinc/35/58/72/565355872.db2.gz QPAXOASGGBUGDA-AWEZNQCLSA-N 0 1 379.551 3.295 20 0 GGADMN COCCOCc1noc(-c2cc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000274105529 565357760 /nfs/dbraw/zinc/35/77/60/565357760.db2.gz IJOFBERESHMIBQ-UHFFFAOYSA-N 0 1 379.214 3.052 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)CSc1n[nH]c(=S)s1)CC3 ZINC000374898937 565359540 /nfs/dbraw/zinc/35/95/40/565359540.db2.gz OXDRFOBLGCPPIQ-SNVBAGLBSA-N 0 1 390.559 3.382 20 0 GGADMN Cc1c(Cl)cncc1NC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000297179889 565360174 /nfs/dbraw/zinc/36/01/74/565360174.db2.gz UDHWGDBNDODFSQ-MWLCHTKSSA-N 0 1 378.782 3.107 20 0 GGADMN CC[C@H](NS(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)s1 ZINC000274194111 565360585 /nfs/dbraw/zinc/36/05/85/565360585.db2.gz RQXIRTROZDAAON-ZETCQYMHSA-N 0 1 380.900 3.074 20 0 GGADMN COc1cccc(CC2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000374956876 565361408 /nfs/dbraw/zinc/36/14/08/565361408.db2.gz VCSDXMNIGYLPLU-UHFFFAOYSA-N 0 1 395.575 3.409 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164515733 565361693 /nfs/dbraw/zinc/36/16/93/565361693.db2.gz KEABFIWWAJZOFB-UWVGGRQHSA-N 0 1 378.778 3.482 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000297207367 565362461 /nfs/dbraw/zinc/36/24/61/565362461.db2.gz VJEXISQHZDBFFA-FRRDWIJNSA-N 0 1 376.448 3.323 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297230623 565363337 /nfs/dbraw/zinc/36/33/37/565363337.db2.gz RKLJYBDLSBMUGR-HNNXBMFYSA-N 0 1 397.338 3.378 20 0 GGADMN Cc1sc(CNC(=O)N(C)Cc2nnc[nH]2)nc1-c1ccc(Cl)cc1 ZINC000297234918 565363403 /nfs/dbraw/zinc/36/34/03/565363403.db2.gz NNAGQVFEKVYHST-UHFFFAOYSA-N 0 1 376.873 3.232 20 0 GGADMN O=C(Nc1ccsc1Cl)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000187928228 565364524 /nfs/dbraw/zinc/36/45/24/565364524.db2.gz GYBWFRXJVCKMDQ-AWEZNQCLSA-N 0 1 377.897 3.121 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H]2CCCS2)CC1 ZINC000164939035 565365837 /nfs/dbraw/zinc/36/58/37/565365837.db2.gz JVFMRMLNWRZYRS-OAHLLOKOSA-N 0 1 382.961 3.499 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCS[C@@H](C(C)C)C3)n2)cc1 ZINC000165020468 565366642 /nfs/dbraw/zinc/36/66/42/565366642.db2.gz YZJVFMPLSBCSTN-OAHLLOKOSA-N 0 1 376.551 3.472 20 0 GGADMN Brc1c(CN[C@H]2CCO[C@@]3(CCSC3)C2)nc2ccccn21 ZINC000375069072 565366916 /nfs/dbraw/zinc/36/69/16/565366916.db2.gz HAJPDIQIQBFILV-LRDDRELGSA-N 0 1 382.327 3.241 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000187961553 565366997 /nfs/dbraw/zinc/36/69/97/565366997.db2.gz IIBGTZKJGDNGEV-BMIGLBTASA-N 0 1 378.307 3.452 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000274337801 565367712 /nfs/dbraw/zinc/36/77/12/565367712.db2.gz CKBCDNSCFJXGLU-UHFFFAOYSA-N 0 1 375.270 3.480 20 0 GGADMN CC[C@@H](N[C@H]1CCSc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000165124501 565367924 /nfs/dbraw/zinc/36/79/24/565367924.db2.gz RVGZWAOWYHWRFD-CABCVRRESA-N 0 1 399.354 3.213 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000297322522 565368052 /nfs/dbraw/zinc/36/80/52/565368052.db2.gz IZOHJOUPOZDORB-ZDUSSCGKSA-N 0 1 396.264 3.315 20 0 GGADMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000375086466 565368090 /nfs/dbraw/zinc/36/80/90/565368090.db2.gz IJWGCQBXNBLVDF-UHFFFAOYSA-N 0 1 383.267 3.026 20 0 GGADMN CC[C@H](N[C@@H]1CCSc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000165124149 565368207 /nfs/dbraw/zinc/36/82/07/565368207.db2.gz RVGZWAOWYHWRFD-LSDHHAIUSA-N 0 1 399.354 3.213 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000297358857 565368828 /nfs/dbraw/zinc/36/88/28/565368828.db2.gz IHFOHQVPPOSYHQ-IAGOWNOFSA-N 0 1 381.929 3.379 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000375132980 565370511 /nfs/dbraw/zinc/37/05/11/565370511.db2.gz TVBPMEZLGDXYRT-UHFFFAOYSA-N 0 1 384.299 3.049 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000188016994 565371169 /nfs/dbraw/zinc/37/11/69/565371169.db2.gz HZRHLHGDMOGFKN-ZDUSSCGKSA-N 0 1 398.326 3.255 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000274428090 565371304 /nfs/dbraw/zinc/37/13/04/565371304.db2.gz VEPCSGLCSDGZDT-BLLLJJGKSA-N 0 1 393.285 3.152 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000375141390 565371753 /nfs/dbraw/zinc/37/17/53/565371753.db2.gz HJEPZVARVREFSO-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN CCc1nc(CNC(=O)N(Cc2cc(Br)ccc2F)C(C)C)n[nH]1 ZINC000297458532 565373028 /nfs/dbraw/zinc/37/30/28/565373028.db2.gz KMVRFAPOMUVEGN-UHFFFAOYSA-N 0 1 398.280 3.389 20 0 GGADMN C[C@H](NCc1cc(Br)cc(Br)c1N)c1cnn(C)c1 ZINC000274544839 565373818 /nfs/dbraw/zinc/37/38/18/565373818.db2.gz CYWBGAPCXDTIRC-QMMMGPOBSA-N 0 1 388.107 3.378 20 0 GGADMN CC(C)c1nc(CNC(=O)NCCOCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000297476696 565374817 /nfs/dbraw/zinc/37/48/17/565374817.db2.gz WWLDHRBZUHEVBD-UHFFFAOYSA-N 0 1 386.283 3.251 20 0 GGADMN CCn1cc(CN[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000167181317 565376746 /nfs/dbraw/zinc/37/67/46/565376746.db2.gz ZKHNKTRYRZLXSJ-QGZVFWFLSA-N 0 1 391.313 3.259 20 0 GGADMN CCn1cc(CNCc2cc(Br)cc(Br)c2N)cn1 ZINC000274682818 565377180 /nfs/dbraw/zinc/37/71/80/565377180.db2.gz RTSCLINMHJQEME-UHFFFAOYSA-N 0 1 388.107 3.300 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CSc1n[nH]c(=S)s1)OC(C)C ZINC000274722294 565378296 /nfs/dbraw/zinc/37/82/96/565378296.db2.gz SLESTNVJSSVDHM-CYBMUJFWSA-N 0 1 399.563 3.210 20 0 GGADMN CC(C)c1nc(CNC(=O)NCCc2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000297603185 565379163 /nfs/dbraw/zinc/37/91/63/565379163.db2.gz QNAADYQFFBTIGT-UHFFFAOYSA-N 0 1 378.889 3.233 20 0 GGADMN CCN(Cc1ccccc1Br)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297619860 565379278 /nfs/dbraw/zinc/37/92/78/565379278.db2.gz AQHVLRIPUIBXJY-UHFFFAOYSA-N 0 1 380.290 3.422 20 0 GGADMN COc1ccsc1[C@@H](C)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000274745681 565379383 /nfs/dbraw/zinc/37/93/83/565379383.db2.gz GKJBHXNHIZGETB-GFCCVEGCSA-N 0 1 384.498 3.287 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000375271992 565379505 /nfs/dbraw/zinc/37/95/05/565379505.db2.gz IWLZLGZSURYPFE-UHFFFAOYSA-N 0 1 381.263 3.370 20 0 GGADMN COc1c(Br)cc(Br)cc1CN[C@H](C)C[S@@](C)=O ZINC000168148672 565381362 /nfs/dbraw/zinc/38/13/62/565381362.db2.gz NJKAOHXQMUKZPV-CVJBHZAOSA-N 0 1 399.148 3.077 20 0 GGADMN CC(C)(C)C(=O)N1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000188123785 565381451 /nfs/dbraw/zinc/38/14/51/565381451.db2.gz CBGFFXJMFJXLDI-UHFFFAOYSA-N 0 1 380.901 3.122 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000274808898 565382402 /nfs/dbraw/zinc/38/24/02/565382402.db2.gz HGZKONXMYHRXEC-UHFFFAOYSA-N 0 1 378.152 3.250 20 0 GGADMN COc1cc(Br)cc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000297749833 565384191 /nfs/dbraw/zinc/38/41/91/565384191.db2.gz LOQNTEROMHPCLX-ZDUSSCGKSA-N 0 1 380.246 3.335 20 0 GGADMN COc1cc(Br)cc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000297749828 565384279 /nfs/dbraw/zinc/38/42/79/565384279.db2.gz LOQNTEROMHPCLX-CYBMUJFWSA-N 0 1 380.246 3.335 20 0 GGADMN CN(CC(F)(F)F)C(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000170643588 565384671 /nfs/dbraw/zinc/38/46/71/565384671.db2.gz BIENLFWMNKZHBK-UHFFFAOYSA-N 0 1 379.220 3.439 20 0 GGADMN O=C(CN[C@H](CC1CC1)c1cc(F)cc(Br)c1)NC(=O)NC1CC1 ZINC000188186680 565385348 /nfs/dbraw/zinc/38/53/48/565385348.db2.gz OEEFNAFJRIIMKC-OAHLLOKOSA-N 0 1 398.276 3.007 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000188180652 565385618 /nfs/dbraw/zinc/38/56/18/565385618.db2.gz UNBMCXPFNROUKR-UHFFFAOYSA-N 0 1 393.216 3.107 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000375405999 565386118 /nfs/dbraw/zinc/38/61/18/565386118.db2.gz UTJHLGWCSUBKPQ-UHFFFAOYSA-N 0 1 381.841 3.127 20 0 GGADMN Cc1cc(C2CCN(CC(=O)NC3CCOCC3)CC2)ccc1Br ZINC000188198104 565386715 /nfs/dbraw/zinc/38/67/15/565386715.db2.gz GXAGKAJQWLCGAH-UHFFFAOYSA-N 0 1 395.341 3.232 20 0 GGADMN CCn1ccnc1[C@@H](C)NCCC(=O)N(C)Cc1ccccc1Br ZINC000297818154 565387653 /nfs/dbraw/zinc/38/76/53/565387653.db2.gz RGKURZJNWFAUGT-CQSZACIVSA-N 0 1 393.329 3.365 20 0 GGADMN C[C@@H](NC(=O)N1CCOC[C@H]1c1nnc[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000297818511 565388132 /nfs/dbraw/zinc/38/81/32/565388132.db2.gz NKNBSNMRWJNASY-OQPBUACISA-N 0 1 388.230 3.095 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000188220456 565388395 /nfs/dbraw/zinc/38/83/95/565388395.db2.gz RDQSISUPKNETOQ-UHFFFAOYSA-N 0 1 392.213 3.100 20 0 GGADMN O=C(Nc1cnns1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000188208322 565388587 /nfs/dbraw/zinc/38/85/87/565388587.db2.gz QQKFRHVTPJWKPR-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000297832674 565388920 /nfs/dbraw/zinc/38/89/20/565388920.db2.gz OFFIVIWXMPPKHF-HZPDHXFCSA-N 0 1 381.929 3.379 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000297832663 565389325 /nfs/dbraw/zinc/38/93/25/565389325.db2.gz OFFIVIWXMPPKHF-HOTGVXAUSA-N 0 1 381.929 3.379 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)NCc2n[nH]c(C3CC3)n2)cc1Br ZINC000297866536 565390164 /nfs/dbraw/zinc/39/01/64/565390164.db2.gz QFWBAPUBLHSGLQ-SECBINFHSA-N 0 1 394.273 3.014 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000275086208 565393053 /nfs/dbraw/zinc/39/30/53/565393053.db2.gz GKYXUQFLRPHSIK-SNVBAGLBSA-N 0 1 375.441 3.372 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000188317745 565394550 /nfs/dbraw/zinc/39/45/50/565394550.db2.gz OTXOPCKKLCPHHT-ZETCQYMHSA-N 0 1 395.289 3.276 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000170830040 565394662 /nfs/dbraw/zinc/39/46/62/565394662.db2.gz WFZOZHBGABSVCH-UHFFFAOYSA-N 0 1 379.233 3.464 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000170892077 565396942 /nfs/dbraw/zinc/39/69/42/565396942.db2.gz ZBGWAOKYVXCJGO-UHFFFAOYSA-N 0 1 378.431 3.155 20 0 GGADMN CO[C@@H]1CCCC[C@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000275205035 565397179 /nfs/dbraw/zinc/39/71/79/565397179.db2.gz IPPGAKGZGJKUMW-IAGOWNOFSA-N 0 1 380.535 3.261 20 0 GGADMN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1nnc[nH]1 ZINC000188398249 565398891 /nfs/dbraw/zinc/39/88/91/565398891.db2.gz QQOCIIOPOCFYSP-PWSUYJOCSA-N 0 1 383.283 3.141 20 0 GGADMN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1nnc[nH]1 ZINC000188398226 565398973 /nfs/dbraw/zinc/39/89/73/565398973.db2.gz QQOCIIOPOCFYSP-JQWIXIFHSA-N 0 1 383.283 3.141 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H](C)c2ccc(Br)cc2F)n[nH]1 ZINC000298136186 565400923 /nfs/dbraw/zinc/40/09/23/565400923.db2.gz ZAPBMYIDBHSSSC-VIFPVBQESA-N 0 1 384.253 3.390 20 0 GGADMN CN1CCC2(CCN(Cc3nc4cc(Br)ccc4o3)CC2)C1=O ZINC000375686698 565401202 /nfs/dbraw/zinc/40/12/02/565401202.db2.gz DXFLQJSJFBYFFZ-UHFFFAOYSA-N 0 1 378.270 3.035 20 0 GGADMN C[C@@H](NC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1F ZINC000298151874 565401700 /nfs/dbraw/zinc/40/17/00/565401700.db2.gz ZZJISBUAQVRYOY-MRVPVSSYSA-N 0 1 382.237 3.144 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H](C)C(=O)N(C)CC)cc1OC ZINC000188469228 565403659 /nfs/dbraw/zinc/40/36/59/565403659.db2.gz JPRRXOPUFRLREJ-LBPRGKRZSA-N 0 1 387.318 3.203 20 0 GGADMN CC(C)c1nc(CNC(=O)N(C)CCc2cccc(Br)c2)n[nH]1 ZINC000298209906 565403662 /nfs/dbraw/zinc/40/36/62/565403662.db2.gz UOLJDFHZMSYITR-UHFFFAOYSA-N 0 1 380.290 3.075 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N(Cc1cccc(Br)c1)C1CC1 ZINC000298210027 565404172 /nfs/dbraw/zinc/40/41/72/565404172.db2.gz UQDAWIXSMDNDAR-UHFFFAOYSA-N 0 1 390.285 3.319 20 0 GGADMN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188517785 565405710 /nfs/dbraw/zinc/40/57/10/565405710.db2.gz DEGGSTJWHJTXKL-VIFPVBQESA-N 0 1 392.834 3.406 20 0 GGADMN O=C(CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)NC1CCCCC1 ZINC000188506375 565405901 /nfs/dbraw/zinc/40/59/01/565405901.db2.gz QICFOHUSDUNOCO-UHFFFAOYSA-N 0 1 380.901 3.360 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)NC1(Cc2ccccc2Br)CC1 ZINC000298256604 565406073 /nfs/dbraw/zinc/40/60/73/565406073.db2.gz ZIPXRGYBQAIGDV-UHFFFAOYSA-N 0 1 390.285 3.019 20 0 GGADMN Cc1cccc(CS(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000171095129 565409228 /nfs/dbraw/zinc/40/92/28/565409228.db2.gz FGDVWOWTVFZGJK-GOSISDBHSA-N 0 1 378.563 3.388 20 0 GGADMN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ncc(Br)s1 ZINC000188558332 565409587 /nfs/dbraw/zinc/40/95/87/565409587.db2.gz KBZFUARMROAIRZ-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN CC(C)COC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1 ZINC000171101545 565410318 /nfs/dbraw/zinc/41/03/18/565410318.db2.gz LGAVHGHPXHDDSL-LBPRGKRZSA-N 0 1 377.384 3.389 20 0 GGADMN CC[C@@H](C)NC(=O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000171100924 565410632 /nfs/dbraw/zinc/41/06/32/565410632.db2.gz AHJREPANIUGOGI-CYBMUJFWSA-N 0 1 396.329 3.014 20 0 GGADMN CC(C)COC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccco1 ZINC000171101549 565410729 /nfs/dbraw/zinc/41/07/29/565410729.db2.gz LGAVHGHPXHDDSL-GFCCVEGCSA-N 0 1 377.384 3.389 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC000298374399 565411070 /nfs/dbraw/zinc/41/10/70/565411070.db2.gz DCJDCHSZTNEVSV-MOPGFXCFSA-N 0 1 379.909 3.375 20 0 GGADMN COc1ccc(CN2CCC[C@@H](C3OCCO3)C2)c(Br)c1OC ZINC000171140233 565412495 /nfs/dbraw/zinc/41/24/95/565412495.db2.gz BEVNGCZCTWDDPP-CYBMUJFWSA-N 0 1 386.286 3.051 20 0 GGADMN COc1cc(CNCc2cccc(O)c2)cc(I)c1OC ZINC000171134020 565413060 /nfs/dbraw/zinc/41/30/60/565413060.db2.gz ABJKBPUTSRKVHQ-UHFFFAOYSA-N 0 1 399.228 3.304 20 0 GGADMN COc1ccc(CN2CCC[C@H](C3OCCO3)C2)c(Br)c1OC ZINC000171140223 565413111 /nfs/dbraw/zinc/41/31/11/565413111.db2.gz BEVNGCZCTWDDPP-ZDUSSCGKSA-N 0 1 386.286 3.051 20 0 GGADMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CCN1CC(C)(C)O ZINC000188632496 565414136 /nfs/dbraw/zinc/41/41/36/565414136.db2.gz IRLCLZIQRQCZEB-CQSZACIVSA-N 0 1 397.357 3.030 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000375964358 565414982 /nfs/dbraw/zinc/41/49/82/565414982.db2.gz NOFWMJZDWKECRQ-MRXNPFEDSA-N 0 1 390.281 3.363 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCN1CC(C)(C)O ZINC000188646142 565415538 /nfs/dbraw/zinc/41/55/38/565415538.db2.gz BDMFPJHELYSHJH-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CCN1CC(C)(C)O ZINC000188668170 565416176 /nfs/dbraw/zinc/41/61/76/565416176.db2.gz YEUKDBRLNKLPCF-AWEZNQCLSA-N 0 1 380.579 3.082 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000375982888 565417022 /nfs/dbraw/zinc/41/70/22/565417022.db2.gz ARVQFDYLFYRFFV-UHFFFAOYSA-N 0 1 378.270 3.266 20 0 GGADMN OCCN(Cc1ncc(-c2cccc(Br)c2)o1)C1CCOCC1 ZINC000275563233 565417495 /nfs/dbraw/zinc/41/74/95/565417495.db2.gz NZQAKGZGMSTRKK-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H]1SC ZINC000298528199 565418398 /nfs/dbraw/zinc/41/83/98/565418398.db2.gz RZJVTZHJJRHWQH-LOWVWBTDSA-N 0 1 394.850 3.400 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)CCN1CC(C)(C)O ZINC000188688484 565418421 /nfs/dbraw/zinc/41/84/21/565418421.db2.gz IDECGZHJDRMARV-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN CCc1nc(CNC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n[nH]1 ZINC000298544689 565418664 /nfs/dbraw/zinc/41/86/64/565418664.db2.gz XBBOWBFDXOPQSP-GFCCVEGCSA-N 0 1 379.745 3.262 20 0 GGADMN CCc1nc(CNC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n[nH]1 ZINC000298544693 565419210 /nfs/dbraw/zinc/41/92/10/565419210.db2.gz XBBOWBFDXOPQSP-LBPRGKRZSA-N 0 1 379.745 3.262 20 0 GGADMN CSc1nnc(CNS(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000275605374 565420909 /nfs/dbraw/zinc/42/09/09/565420909.db2.gz LRAGCFNXZAHHSF-UHFFFAOYSA-N 0 1 376.337 3.107 20 0 GGADMN CC(C)COC[C@H](O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000171242502 565422003 /nfs/dbraw/zinc/42/20/03/565422003.db2.gz PQFOJQAUMJALGD-NSHDSACASA-N 0 1 386.315 3.360 20 0 GGADMN Cc1cncc(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000188759455 565422011 /nfs/dbraw/zinc/42/20/11/565422011.db2.gz DVARRXRCMLURED-UHFFFAOYSA-N 0 1 376.298 3.279 20 0 GGADMN CSc1nnc(CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)s1 ZINC000275644772 565422190 /nfs/dbraw/zinc/42/21/90/565422190.db2.gz SLVHJYABHZIDOO-UHFFFAOYSA-N 0 1 384.335 3.354 20 0 GGADMN COc1ccc([C@H](NC(=O)CN(C)C)c2ccccc2)cc1Br ZINC000171255747 565422472 /nfs/dbraw/zinc/42/24/72/565422472.db2.gz GPIJVDDEDDSTGH-GOSISDBHSA-N 0 1 377.282 3.225 20 0 GGADMN COCCO[C@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000188819354 565425164 /nfs/dbraw/zinc/42/51/64/565425164.db2.gz HHFQCIUIGIOULL-SFHVURJKSA-N 0 1 394.313 3.181 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c(Br)c1 ZINC000275758802 565425615 /nfs/dbraw/zinc/42/56/15/565425615.db2.gz OLELATMCHQJYGD-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188828131 565426327 /nfs/dbraw/zinc/42/63/27/565426327.db2.gz RESQBGHPCCMSEP-LLVKDONJSA-N 0 1 380.901 3.170 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ncc(Br)s1 ZINC000188847302 565427292 /nfs/dbraw/zinc/42/72/92/565427292.db2.gz UTQGNWHCXSUJJX-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC000275811819 565427825 /nfs/dbraw/zinc/42/78/25/565427825.db2.gz VMCIDYXMNNFOBE-ONEGZZNKSA-N 0 1 385.291 3.404 20 0 GGADMN O=C(CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)N1CCCCCC1 ZINC000188852166 565427750 /nfs/dbraw/zinc/42/77/50/565427750.db2.gz KLALMCCQKXSNGV-UHFFFAOYSA-N 0 1 380.901 3.314 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc3cccc(Br)c3n2)C1(C)C ZINC000275846133 565429064 /nfs/dbraw/zinc/42/90/64/565429064.db2.gz WGYJPNFSLNPNCJ-SCLBCKFNSA-N 0 1 392.297 3.468 20 0 GGADMN Cc1ccc(Br)cc1CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000275847417 565429578 /nfs/dbraw/zinc/42/95/78/565429578.db2.gz HTXFLIHECZAXEY-LBPRGKRZSA-N 0 1 383.311 3.256 20 0 GGADMN O=C(NC1CCN(CCOCC(F)(F)C(F)(F)F)CC1)c1ccsc1 ZINC000188888769 565431028 /nfs/dbraw/zinc/43/10/28/565431028.db2.gz PSFRCXZOTMCAPA-UHFFFAOYSA-N 0 1 386.386 3.157 20 0 GGADMN CCN(C)C(=O)[C@H](C)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000188890677 565431125 /nfs/dbraw/zinc/43/11/25/565431125.db2.gz CUSWADNNOGHTQV-VIFPVBQESA-N 0 1 395.244 3.016 20 0 GGADMN CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC[C@H]1O ZINC000276007742 565432795 /nfs/dbraw/zinc/43/27/95/565432795.db2.gz PMQHZMAQEDLPLL-OAHLLOKOSA-N 0 1 378.270 3.072 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2ccc(C)cc2)cc1OC ZINC000188971059 565436404 /nfs/dbraw/zinc/43/64/04/565436404.db2.gz YPSYFBUIWVODKG-INIZCTEOSA-N 0 1 394.309 3.468 20 0 GGADMN CNC(=O)c1ccn([C@H]2CCCN([C@@H](C)c3cccc(Br)c3)C2)n1 ZINC000276107058 565436483 /nfs/dbraw/zinc/43/64/83/565436483.db2.gz WVASYEQCRIAXRK-BBRMVZONSA-N 0 1 391.313 3.403 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188976072 565436854 /nfs/dbraw/zinc/43/68/54/565436854.db2.gz MTISXBWRPRDFMH-CQSZACIVSA-N 0 1 381.249 3.297 20 0 GGADMN CNC(=O)c1ccn([C@H]2CCCN([C@H](C)c3cccc(Br)c3)C2)n1 ZINC000276107062 565436852 /nfs/dbraw/zinc/43/68/52/565436852.db2.gz WVASYEQCRIAXRK-CJNGLKHVSA-N 0 1 391.313 3.403 20 0 GGADMN Cc1nnc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)[nH]1 ZINC000171547344 565436982 /nfs/dbraw/zinc/43/69/82/565436982.db2.gz MBQRQHATQJFEEV-UHFFFAOYSA-N 0 1 378.255 3.180 20 0 GGADMN Cc1nnc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)[nH]1 ZINC000171548155 565437066 /nfs/dbraw/zinc/43/70/66/565437066.db2.gz SELIJJRTEICHBG-UHFFFAOYSA-N 0 1 385.221 3.359 20 0 GGADMN Cc1n[nH]c(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)n1 ZINC000171548155 565437067 /nfs/dbraw/zinc/43/70/67/565437067.db2.gz SELIJJRTEICHBG-UHFFFAOYSA-N 0 1 385.221 3.359 20 0 GGADMN Cc1csc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1I ZINC000276139367 565437458 /nfs/dbraw/zinc/43/74/58/565437458.db2.gz CGTUJUZVRWYZKC-SECBINFHSA-N 0 1 387.246 3.192 20 0 GGADMN COc1ccc(Br)c(CNCCN2CCc3ccccc3C2=O)c1 ZINC000189034162 565439190 /nfs/dbraw/zinc/43/91/90/565439190.db2.gz BZJCLNHYVZGBOO-UHFFFAOYSA-N 0 1 389.293 3.246 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3SC)C2)CC1 ZINC000171636898 565440591 /nfs/dbraw/zinc/44/05/91/565440591.db2.gz GRBFYVPLOSOBEZ-OAHLLOKOSA-N 0 1 382.961 3.306 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cc(Cl)ccc3SC)C2)CC1 ZINC000171636902 565440613 /nfs/dbraw/zinc/44/06/13/565440613.db2.gz GRBFYVPLOSOBEZ-HNNXBMFYSA-N 0 1 382.961 3.306 20 0 GGADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2csc(-c3ccsc3)n2)C1 ZINC000299160152 565441975 /nfs/dbraw/zinc/44/19/75/565441975.db2.gz KNEYQRXXRKLXHQ-KBPBESRZSA-N 0 1 379.551 3.235 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000171699161 565445696 /nfs/dbraw/zinc/44/56/96/565445696.db2.gz GORITLPCMBGFSS-VXGBXAGGSA-N 0 1 391.318 3.129 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(Br)s1 ZINC000189170910 565449201 /nfs/dbraw/zinc/44/92/01/565449201.db2.gz CVSKAKJVLNBUAY-UHFFFAOYSA-N 0 1 398.301 3.439 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cn3cc(Br)cn3)[nH]c2c1 ZINC000299406957 565449226 /nfs/dbraw/zinc/44/92/26/565449226.db2.gz KNGPVFCLNHMYOD-HNNXBMFYSA-N 0 1 388.269 3.194 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(N2CCCC2=O)CC1 ZINC000189188737 565450444 /nfs/dbraw/zinc/45/04/44/565450444.db2.gz ZNHGJDPFWHUBBL-UHFFFAOYSA-N 0 1 378.885 3.019 20 0 GGADMN CC1(C)CN(CCNCc2nc(-c3cccc(Br)c3)c[nH]2)CCO1 ZINC000171785566 565450953 /nfs/dbraw/zinc/45/09/53/565450953.db2.gz JIROUDHNISLAOG-UHFFFAOYSA-N 0 1 393.329 3.040 20 0 GGADMN Cc1cc(Br)cc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 ZINC000189215364 565451315 /nfs/dbraw/zinc/45/13/15/565451315.db2.gz MPWNUUXPMIJDEH-UHFFFAOYSA-N 0 1 383.267 3.381 20 0 GGADMN CNC(=O)NC(=O)CCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000299481794 565452273 /nfs/dbraw/zinc/45/22/73/565452273.db2.gz ZMWJKLNEPHZFOE-SNVBAGLBSA-N 0 1 380.901 3.268 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000189240018 565453379 /nfs/dbraw/zinc/45/33/79/565453379.db2.gz ZUUNSGUMYOMGGT-VIFPVBQESA-N 0 1 379.454 3.381 20 0 GGADMN CC1(C)CN(CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)CCO1 ZINC000171841578 565453970 /nfs/dbraw/zinc/45/39/70/565453970.db2.gz HZYHHTFQFYRHEW-UHFFFAOYSA-N 0 1 393.329 3.040 20 0 GGADMN COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2O)c2ccccc21 ZINC000171879986 565455201 /nfs/dbraw/zinc/45/52/01/565455201.db2.gz DLAWWNYHVNWZKW-CYBMUJFWSA-N 0 1 376.206 3.072 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)cc1Cl ZINC000276671699 565456542 /nfs/dbraw/zinc/45/65/42/565456542.db2.gz REHUDVCBKMPMTQ-UHFFFAOYSA-N 0 1 380.857 3.075 20 0 GGADMN C[C@H](C1CC1)n1cc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cn1 ZINC000189336345 565458966 /nfs/dbraw/zinc/45/89/66/565458966.db2.gz CASZXRDCGKGNGN-SNVBAGLBSA-N 0 1 382.873 3.131 20 0 GGADMN O=C(Nc1ccsc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000189320425 565459257 /nfs/dbraw/zinc/45/92/57/565459257.db2.gz PKOYLFPHMDJQAN-GOEBONIOSA-N 0 1 379.913 3.406 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3csc(Cl)c3)cc2)CC1 ZINC000189351619 565460209 /nfs/dbraw/zinc/46/02/09/565460209.db2.gz PHPUOIRAFZYJOL-UHFFFAOYSA-N 0 1 379.913 3.280 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000189352496 565460361 /nfs/dbraw/zinc/46/03/61/565460361.db2.gz NQSNCSJXHGUTSL-CYBMUJFWSA-N 0 1 396.354 3.071 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CCOCC1)Nc1ccncc1 ZINC000171987986 565461430 /nfs/dbraw/zinc/46/14/30/565461430.db2.gz CAYRJCHRRYOZQP-UHFFFAOYSA-N 0 1 390.281 3.078 20 0 GGADMN CC(C)N1C(=S)N=NC1CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189380821 565462661 /nfs/dbraw/zinc/46/26/61/565462661.db2.gz XSHCKUIUJKGOFC-UHFFFAOYSA-N 0 1 382.902 3.183 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC3(CC2)OCc2ccccc23)c1Br ZINC000377048905 565463834 /nfs/dbraw/zinc/46/38/34/565463834.db2.gz VIXIWGWPCVFXLL-UHFFFAOYSA-N 0 1 390.281 3.396 20 0 GGADMN O=C1[C@H](NC2(c3cccc(Br)c3)CCC2)CCN1C1CCOCC1 ZINC000377049558 565464210 /nfs/dbraw/zinc/46/42/10/565464210.db2.gz ASRVBZDZHSZEEE-QGZVFWFLSA-N 0 1 393.325 3.198 20 0 GGADMN COCC[C@](C)(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000172071106 565464426 /nfs/dbraw/zinc/46/44/26/565464426.db2.gz MWNDLMSOQHEHJX-INIZCTEOSA-N 0 1 385.327 3.450 20 0 GGADMN CCN(CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)C(F)(F)F ZINC000189436970 565465048 /nfs/dbraw/zinc/46/50/48/565465048.db2.gz FKEQGWXWEDYWCF-GFCCVEGCSA-N 0 1 383.208 3.023 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000276928544 565466237 /nfs/dbraw/zinc/46/62/37/565466237.db2.gz SQIWRBJXLYMJQT-BDAKNGLRSA-N 0 1 384.267 3.441 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C(=O)N1CCCC[C@H]1C ZINC000189506151 565471047 /nfs/dbraw/zinc/47/10/47/565471047.db2.gz XQCCOOPRDSOTEO-GHMZBOCLSA-N 0 1 380.901 3.311 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1Cl ZINC000172198614 565471820 /nfs/dbraw/zinc/47/18/20/565471820.db2.gz KHXUPDWVDDUFKN-UHFFFAOYSA-N 0 1 375.837 3.049 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCc3c(Br)cc(C)cc3C2)[nH]1 ZINC000189516666 565472057 /nfs/dbraw/zinc/47/20/57/565472057.db2.gz JXTHSJJDWPRUTM-UHFFFAOYSA-N 0 1 395.326 3.251 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(Br)cc1F ZINC000172243589 565473505 /nfs/dbraw/zinc/47/35/05/565473505.db2.gz HUHBYANIADNCSV-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(F)cc1Br ZINC000172242944 565473564 /nfs/dbraw/zinc/47/35/64/565473564.db2.gz IHWMZINDVBGBFV-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2ccc(N3CCCC3)nc2)cc1Cl ZINC000277064508 565474214 /nfs/dbraw/zinc/47/42/14/565474214.db2.gz RTPFJVGRBOXXKM-UHFFFAOYSA-N 0 1 379.913 3.029 20 0 GGADMN Cc1[nH]ncc1CN1C(=O)[C@@H](c2ccc(Br)cc2)N(C(C)C)C1=O ZINC000277136278 565478407 /nfs/dbraw/zinc/47/84/07/565478407.db2.gz AFFGPPMBUOZZBW-OAHLLOKOSA-N 0 1 391.269 3.395 20 0 GGADMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000277145371 565479211 /nfs/dbraw/zinc/47/92/11/565479211.db2.gz PUGWPLVLPOSKKS-GFCCVEGCSA-N 0 1 381.881 3.366 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(I)cc2C)CC1 ZINC000172329460 565479285 /nfs/dbraw/zinc/47/92/85/565479285.db2.gz UVVXTTKEQKBIRU-UHFFFAOYSA-N 0 1 387.265 3.159 20 0 GGADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)cc(S(=O)(=O)N(C)C)c1C ZINC000172355910 565480969 /nfs/dbraw/zinc/48/09/69/565480969.db2.gz UMOLVGSSNMXKIK-UHFFFAOYSA-N 0 1 382.869 3.165 20 0 GGADMN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(Cl)c3O)ccc21 ZINC000172355577 565481657 /nfs/dbraw/zinc/48/16/57/565481657.db2.gz IMYLNBZDICIODG-UHFFFAOYSA-N 0 1 380.853 3.010 20 0 GGADMN O=C1CN(Cc2cccc(Br)c2)C(=O)N1[C@H]1CCCc2cn[nH]c21 ZINC000277185629 565481763 /nfs/dbraw/zinc/48/17/63/565481763.db2.gz CSLKQPOVLNZYTG-AWEZNQCLSA-N 0 1 389.253 3.014 20 0 GGADMN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)C[C@H]1CCCO1)c1ccco1 ZINC000172365609 565481846 /nfs/dbraw/zinc/48/18/46/565481846.db2.gz YRZFULYDVSFFHB-GFCCVEGCSA-N 0 1 384.841 3.106 20 0 GGADMN O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000277195166 565482283 /nfs/dbraw/zinc/48/22/83/565482283.db2.gz GEBWSTIAXMNTRW-CQSZACIVSA-N 0 1 375.694 3.131 20 0 GGADMN Cc1csc(C(=O)NCCN2CCC(C)CC2)c1I ZINC000189701599 565483168 /nfs/dbraw/zinc/48/31/68/565483168.db2.gz NPLZRJFSWVTMKY-UHFFFAOYSA-N 0 1 392.306 3.123 20 0 GGADMN COC(=O)c1cc(CN2CCC(n3cc(Br)cn3)CC2)oc1C ZINC000377593807 565487248 /nfs/dbraw/zinc/48/72/48/565487248.db2.gz SAESTVSEHJOTAX-UHFFFAOYSA-N 0 1 382.258 3.171 20 0 GGADMN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172464295 565487554 /nfs/dbraw/zinc/48/75/54/565487554.db2.gz GTCUEIPRLMPWFN-OAHLLOKOSA-N 0 1 382.957 3.391 20 0 GGADMN CN(Cc1ncc(-c2cccc(Br)c2)o1)CC1(O)CCOCC1 ZINC000189770585 565487575 /nfs/dbraw/zinc/48/75/75/565487575.db2.gz ZQYJILPIPINUFG-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000377593624 565487709 /nfs/dbraw/zinc/48/77/09/565487709.db2.gz QUXBFMZMLWIBTC-CQSZACIVSA-N 0 1 391.313 3.160 20 0 GGADMN Cc1[nH]ncc1CN1C(=O)CN([C@@H](C)c2cccc(Br)c2)C1=O ZINC000277292729 565488050 /nfs/dbraw/zinc/48/80/50/565488050.db2.gz KNZSBDDMAGWGFW-NSHDSACASA-N 0 1 377.242 3.006 20 0 GGADMN Cc1[nH]ncc1CN1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O ZINC000277292726 565488056 /nfs/dbraw/zinc/48/80/56/565488056.db2.gz KNZSBDDMAGWGFW-LLVKDONJSA-N 0 1 377.242 3.006 20 0 GGADMN CN(Cc1ncc(-c2ccccc2Br)o1)CC1(O)CCOCC1 ZINC000189777668 565488106 /nfs/dbraw/zinc/48/81/06/565488106.db2.gz LHHOGLWZCSIOBP-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN O=S(=O)(CCN1CCCC1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000189789221 565488558 /nfs/dbraw/zinc/48/85/58/565488558.db2.gz CSBXXECCIGJXJH-MRXNPFEDSA-N 0 1 376.444 3.172 20 0 GGADMN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cccc(Cl)c3O)cc21 ZINC000172515854 565489484 /nfs/dbraw/zinc/48/94/84/565489484.db2.gz GPHPDFMYNDVMCQ-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN Cc1sc(Br)nc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000277330334 565490091 /nfs/dbraw/zinc/49/00/91/565490091.db2.gz GIVVPUJVTXAKHH-UHFFFAOYSA-N 0 1 395.326 3.003 20 0 GGADMN CCN1CCCN(c2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1 ZINC000301497268 565491503 /nfs/dbraw/zinc/49/15/03/565491503.db2.gz BPCYKHLYTXTVQJ-UHFFFAOYSA-N 0 1 381.307 3.380 20 0 GGADMN CCOCCN1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000301515788 565492278 /nfs/dbraw/zinc/49/22/78/565492278.db2.gz LPVANMGIVKTRLD-UHFFFAOYSA-N 0 1 382.277 3.295 20 0 GGADMN Fc1cc2nc(N3CC[C@H](CN4CCOCC4)C3)ccc2cc1Br ZINC000301544538 565495105 /nfs/dbraw/zinc/49/51/05/565495105.db2.gz KTMYSFAUTKRIDT-CYBMUJFWSA-N 0 1 394.288 3.295 20 0 GGADMN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189908872 565497326 /nfs/dbraw/zinc/49/73/26/565497326.db2.gz JVGGLERZFLPLKU-CQSZACIVSA-N 0 1 387.933 3.130 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N[C@@H]2CCCSC2)nc1 ZINC000301588858 565497680 /nfs/dbraw/zinc/49/76/80/565497680.db2.gz WZHYVWRPHNTUPI-CYBMUJFWSA-N 0 1 385.461 3.468 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000189967522 565499817 /nfs/dbraw/zinc/49/98/17/565499817.db2.gz FZOSFEZYADMPBZ-WMLDXEAASA-N 0 1 375.296 3.088 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(Br)cc1 ZINC000172725590 565501603 /nfs/dbraw/zinc/50/16/03/565501603.db2.gz CREVDDQTHQMIEM-NSHDSACASA-N 0 1 396.310 3.187 20 0 GGADMN CCN(CC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 ZINC000172747789 565502431 /nfs/dbraw/zinc/50/24/31/565502431.db2.gz GTVDDSKTRSGDDQ-UHFFFAOYSA-N 0 1 377.286 3.117 20 0 GGADMN CC(C)[N@H+](C)CC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000277525452 565503566 /nfs/dbraw/zinc/50/35/66/565503566.db2.gz PKPLSMNVKIUYGC-UHFFFAOYSA-N 0 1 380.080 3.196 20 0 GGADMN CC(C)[N@@H+](C)CC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000277525452 565503569 /nfs/dbraw/zinc/50/35/69/565503569.db2.gz PKPLSMNVKIUYGC-UHFFFAOYSA-N 0 1 380.080 3.196 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c(Br)c1 ZINC000190042943 565504242 /nfs/dbraw/zinc/50/42/42/565504242.db2.gz BKPZNKPRZOLYTG-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190052216 565504583 /nfs/dbraw/zinc/50/45/83/565504583.db2.gz SHYPHFXYZLSMDT-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190131373 565510097 /nfs/dbraw/zinc/51/00/97/565510097.db2.gz KTPHRBABUZSGAQ-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190131373 565510099 /nfs/dbraw/zinc/51/00/99/565510099.db2.gz KTPHRBABUZSGAQ-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190134337 565510759 /nfs/dbraw/zinc/51/07/59/565510759.db2.gz GFOGUTFVZBLFTH-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1c(Br)cccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190167382 565513092 /nfs/dbraw/zinc/51/30/92/565513092.db2.gz AXIMQKSSJMKJGY-GFCCVEGCSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1c(Br)cccc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000190167431 565513262 /nfs/dbraw/zinc/51/32/62/565513262.db2.gz FSIQKPSXBJGJOB-LBPRGKRZSA-N 0 1 384.318 3.066 20 0 GGADMN COc1ccnc(NCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000190180860 565514116 /nfs/dbraw/zinc/51/41/16/565514116.db2.gz WNJRYJCMNUIVOG-UHFFFAOYSA-N 0 1 378.270 3.301 20 0 GGADMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000172954888 565515945 /nfs/dbraw/zinc/51/59/45/565515945.db2.gz PABSAVMQRNMINR-UHFFFAOYSA-N 0 1 381.567 3.309 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000378242404 565517348 /nfs/dbraw/zinc/51/73/48/565517348.db2.gz CHSXWCKMKRETIG-RYUDHWBXSA-N 0 1 399.563 3.407 20 0 GGADMN O=c1[nH]c2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)ccc2o1 ZINC000190223975 565517833 /nfs/dbraw/zinc/51/78/33/565517833.db2.gz GUXCMHCYCDKESS-UHFFFAOYSA-N 0 1 377.180 3.368 20 0 GGADMN CN(C)Cc1ccc(CNc2cc(Br)cc(F)c2C(N)=O)cc1F ZINC000301931882 565518720 /nfs/dbraw/zinc/51/87/20/565518720.db2.gz MBSHWHZJADRASH-UHFFFAOYSA-N 0 1 398.251 3.500 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2I)n[nH]1 ZINC000277781466 565520246 /nfs/dbraw/zinc/52/02/46/565520246.db2.gz JIYCUIRJHPZZKY-NXEZZACHSA-N 0 1 398.248 3.414 20 0 GGADMN CN1CCC(N(c2cccc(F)c2)S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000378281678 565520367 /nfs/dbraw/zinc/52/03/67/565520367.db2.gz KMOLPEXAEVIBDZ-UHFFFAOYSA-N 0 1 383.876 3.164 20 0 GGADMN Cc1ccc(Br)cc1CNCc1cnc(N2CCOCC2)s1 ZINC000190299138 565521190 /nfs/dbraw/zinc/52/11/90/565521190.db2.gz IOQQAPOHXHPHJQ-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN Nc1nc(NCCCc2ccc(Br)cc2F)cc(-n2cccn2)n1 ZINC000301974898 565522043 /nfs/dbraw/zinc/52/20/43/565522043.db2.gz LBHKOXQRTXJSFF-UHFFFAOYSA-N 0 1 391.248 3.191 20 0 GGADMN COc1ccc([C@H](C)Nc2cc(-n3cccn3)nc(N)n2)cc1Br ZINC000301969613 565522104 /nfs/dbraw/zinc/52/21/04/565522104.db2.gz BXTCERPKIONSIN-JTQLQIEISA-N 0 1 389.257 3.189 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000378350498 565523569 /nfs/dbraw/zinc/52/35/69/565523569.db2.gz OGAQQIHAIJYPSV-UHFFFAOYSA-N 0 1 399.538 3.266 20 0 GGADMN C[NH+]1CCC(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000173089128 565525342 /nfs/dbraw/zinc/52/53/42/565525342.db2.gz IVTGFVZFTWWISH-UHFFFAOYSA-N 0 1 384.851 3.369 20 0 GGADMN CC(C)COC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000173090840 565526058 /nfs/dbraw/zinc/52/60/58/565526058.db2.gz DOHPBOKHDQVHDU-CQSZACIVSA-N 0 1 377.384 3.389 20 0 GGADMN O=C(CCSc1ccccc1Br)NC1(c2nnc[nH]2)CCC1 ZINC000190375097 565526699 /nfs/dbraw/zinc/52/66/99/565526699.db2.gz GBWYUDBHMRHANN-UHFFFAOYSA-N 0 1 381.299 3.245 20 0 GGADMN CC[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(Br)c1 ZINC000378453314 565527403 /nfs/dbraw/zinc/52/74/03/565527403.db2.gz NIRXVKKLXBCBLY-IAGOWNOFSA-N 0 1 399.304 3.409 20 0 GGADMN COC(=O)c1cc(Br)cc(NCc2n[nH]c(C3CC3)n2)c1Cl ZINC000190392173 565527543 /nfs/dbraw/zinc/52/75/43/565527543.db2.gz PYCWRMBNMYCICZ-UHFFFAOYSA-N 0 1 385.649 3.497 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C2CC2)no1 ZINC000173108728 565527734 /nfs/dbraw/zinc/52/77/34/565527734.db2.gz YZGWMQAGUVWYHF-ZDUSSCGKSA-N 0 1 375.372 3.040 20 0 GGADMN Cc1cc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)cnc1Cl ZINC000190386456 565527937 /nfs/dbraw/zinc/52/79/37/565527937.db2.gz OYFMRBWZKVUDJE-UHFFFAOYSA-N 0 1 379.913 3.333 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000378472724 565528597 /nfs/dbraw/zinc/52/85/97/565528597.db2.gz JDFCPJSNMBEFJN-UHFFFAOYSA-N 0 1 383.267 3.026 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000190419662 565530872 /nfs/dbraw/zinc/53/08/72/565530872.db2.gz DSNUTNWBLIDRCM-SECBINFHSA-N 0 1 387.445 3.489 20 0 GGADMN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(O)ccc1Br ZINC000190425291 565530924 /nfs/dbraw/zinc/53/09/24/565530924.db2.gz CZMBNFCZKHSAIC-HOTGVXAUSA-N 0 1 380.286 3.381 20 0 GGADMN COc1nc(-c2noc([C@H](C)N3CCCCCC3)n2)ncc1Br ZINC000277960700 565531160 /nfs/dbraw/zinc/53/11/60/565531160.db2.gz SMVHGEDTOOOZHM-JTQLQIEISA-N 0 1 382.262 3.235 20 0 GGADMN C[C@H]1CN(CCCNc2ccnc3cc(Br)cnc32)C[C@H](C)O1 ZINC000302122849 565531199 /nfs/dbraw/zinc/53/11/99/565531199.db2.gz VDXLQWMMEXFWSG-STQMWFEESA-N 0 1 379.302 3.304 20 0 GGADMN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000277955840 565531208 /nfs/dbraw/zinc/53/12/08/565531208.db2.gz LYSYDBTWXLJDEH-SNVBAGLBSA-N 0 1 376.812 3.053 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190424945 565531307 /nfs/dbraw/zinc/53/13/07/565531307.db2.gz DNPHZMMIBBUKJJ-DLBZAZTESA-N 0 1 394.364 3.488 20 0 GGADMN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000277955837 565531445 /nfs/dbraw/zinc/53/14/45/565531445.db2.gz LYSYDBTWXLJDEH-JTQLQIEISA-N 0 1 376.812 3.053 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1nc(C2CC2)ncc1Br)c1cccs1 ZINC000277983632 565532426 /nfs/dbraw/zinc/53/24/26/565532426.db2.gz YOEMGDKQLHTRFW-LBPRGKRZSA-N 0 1 395.326 3.211 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000278009167 565534454 /nfs/dbraw/zinc/53/44/54/565534454.db2.gz OWXQREULAHNOIZ-AWEZNQCLSA-N 0 1 384.351 3.167 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)[nH]1 ZINC000173185952 565534845 /nfs/dbraw/zinc/53/48/45/565534845.db2.gz KNXXGFIATXRWQR-CYBMUJFWSA-N 0 1 379.917 3.034 20 0 GGADMN CO[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000378640745 565537465 /nfs/dbraw/zinc/53/74/65/565537465.db2.gz WQQIKGIKHLGNSA-CQSZACIVSA-N 0 1 378.270 3.480 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000173209504 565537597 /nfs/dbraw/zinc/53/75/97/565537597.db2.gz CAYPTGPZVRKETF-OKILXGFUSA-N 0 1 386.334 3.061 20 0 GGADMN C[C@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000173209831 565537611 /nfs/dbraw/zinc/53/76/11/565537611.db2.gz XLVQOBDEVZNJTE-XQQFMLRXSA-N 0 1 389.359 3.230 20 0 GGADMN CN(CCn1ccnc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190511516 565537872 /nfs/dbraw/zinc/53/78/72/565537872.db2.gz ZUCUSERPDATFSE-MRXNPFEDSA-N 0 1 394.313 3.335 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173218409 565538804 /nfs/dbraw/zinc/53/88/04/565538804.db2.gz XBDLJTSCULPTST-SNVBAGLBSA-N 0 1 388.682 3.058 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)[nH]1 ZINC000278098106 565539606 /nfs/dbraw/zinc/53/96/06/565539606.db2.gz QMTDFHXJXZFMJX-UHFFFAOYSA-N 0 1 375.885 3.246 20 0 GGADMN O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000379767690 565539889 /nfs/dbraw/zinc/53/98/89/565539889.db2.gz LKHDKEFPMVDGEP-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000379767690 565539896 /nfs/dbraw/zinc/53/98/96/565539896.db2.gz LKHDKEFPMVDGEP-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN C[C@H]1CN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CCN1CC(C)(C)O ZINC000302505595 565543282 /nfs/dbraw/zinc/54/32/82/565543282.db2.gz QGXBVTNYOVOMEK-NSHDSACASA-N 0 1 385.295 3.325 20 0 GGADMN C[C@@H]1CN(C(=O)CNC2(c3cccc(Br)c3)CCC2)C[C@H](C)O1 ZINC000173283052 565544531 /nfs/dbraw/zinc/54/45/31/565544531.db2.gz GVXIWZYYMKGILT-OKILXGFUSA-N 0 1 381.314 3.054 20 0 GGADMN Fc1ccc(Br)cc1CNCCn1cc(Br)cn1 ZINC000385489130 565545493 /nfs/dbraw/zinc/54/54/93/565545493.db2.gz HRMYXMDSISYXGR-UHFFFAOYSA-N 0 1 377.055 3.337 20 0 GGADMN CCNC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000278197347 565545600 /nfs/dbraw/zinc/54/56/00/565545600.db2.gz FNOPXLCYSVPRDI-UHFFFAOYSA-N 0 1 382.873 3.294 20 0 GGADMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1nc(C2CCCCC2)cs1 ZINC000278256167 565547081 /nfs/dbraw/zinc/54/70/81/565547081.db2.gz MWSREBOEBDEWOP-UHFFFAOYSA-N 0 1 384.527 3.262 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1cncc(Br)c1 ZINC000387074673 565548984 /nfs/dbraw/zinc/54/89/84/565548984.db2.gz VCVCNZURYZKRIR-UHFFFAOYSA-N 0 1 397.172 3.385 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000389236159 565552851 /nfs/dbraw/zinc/55/28/51/565552851.db2.gz JSZCDDNQNQPGJO-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CCc1nnc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)nc1CC ZINC000302758815 565555231 /nfs/dbraw/zinc/55/52/31/565555231.db2.gz WQINCSXPKKZFFE-UHFFFAOYSA-N 0 1 388.273 3.156 20 0 GGADMN CCc1nnc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)nc1CC ZINC000302758815 565555235 /nfs/dbraw/zinc/55/52/35/565555235.db2.gz WQINCSXPKKZFFE-UHFFFAOYSA-N 0 1 388.273 3.156 20 0 GGADMN C[C@H](O)CN1CCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302774629 565555932 /nfs/dbraw/zinc/55/59/32/565555932.db2.gz DTRQQJSCXPOUOB-NSHDSACASA-N 0 1 384.705 3.154 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)N(C)Cc1ccccc1 ZINC000390790095 565557468 /nfs/dbraw/zinc/55/74/68/565557468.db2.gz FCFNKVBMLNDHFP-AWEZNQCLSA-N 0 1 397.338 3.248 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccccc1Br)N(C)Cc1ccccc1 ZINC000390807109 565557557 /nfs/dbraw/zinc/55/75/57/565557557.db2.gz LQUUOXNEFDKTGJ-CQSZACIVSA-N 0 1 397.338 3.248 20 0 GGADMN COc1cc(NC(=O)c2ccc(Br)c(O)c2)cc(OC)c1OC ZINC000391103698 565560139 /nfs/dbraw/zinc/56/01/39/565560139.db2.gz GRRAFBABNKGIEM-UHFFFAOYSA-N 0 1 382.210 3.433 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000390959930 565560409 /nfs/dbraw/zinc/56/04/09/565560409.db2.gz LTBBGHRJJGXTSR-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN NC(=O)[C@@H](NCCc1ccccc1OC(F)F)c1ccc(Br)cc1 ZINC000190827768 565561780 /nfs/dbraw/zinc/56/17/80/565561780.db2.gz FVLQGJVKCXOQAZ-HNNXBMFYSA-N 0 1 399.235 3.409 20 0 GGADMN CS(=O)(=O)c1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1Cl ZINC000190832223 565561938 /nfs/dbraw/zinc/56/19/38/565561938.db2.gz DGOXPMOPNCTOTG-UHFFFAOYSA-N 0 1 396.877 3.093 20 0 GGADMN CC(C)[NH+](CCC[N-]S(=O)(=O)c1sccc1Br)C(C)C ZINC000173526323 565563167 /nfs/dbraw/zinc/56/31/67/565563167.db2.gz DSBNNSJYGMUPPQ-UHFFFAOYSA-N 0 1 383.377 3.298 20 0 GGADMN O=C1[C@@H](Sc2nc(C3CC3)n[nH]2)CCN1c1cccc(Br)c1 ZINC000190833291 565563410 /nfs/dbraw/zinc/56/34/10/565563410.db2.gz XCOBKEDYMZWFHT-LBPRGKRZSA-N 0 1 379.283 3.342 20 0 GGADMN O=C1[C@@H](Sc2n[nH]c(C3CC3)n2)CCN1c1cccc(Br)c1 ZINC000190833291 565563415 /nfs/dbraw/zinc/56/34/15/565563415.db2.gz XCOBKEDYMZWFHT-LBPRGKRZSA-N 0 1 379.283 3.342 20 0 GGADMN Nc1c(Cl)cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000190840445 565563502 /nfs/dbraw/zinc/56/35/02/565563502.db2.gz XSDMGIQSSBHUEB-GFCCVEGCSA-N 0 1 387.311 3.152 20 0 GGADMN CC(C)(C)n1cc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000190848409 565564737 /nfs/dbraw/zinc/56/47/37/565564737.db2.gz SDCKQTVKMAXIBV-AWEZNQCLSA-N 0 1 392.345 3.412 20 0 GGADMN CCc1nc(CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000392542235 565565328 /nfs/dbraw/zinc/56/53/28/565565328.db2.gz LODZIVODVWSZGN-UHFFFAOYSA-N 0 1 377.164 3.078 20 0 GGADMN CCC(CC)[C@@H](O)CNCc1c(Br)cncc1Br ZINC000394570027 565571335 /nfs/dbraw/zinc/57/13/35/565571335.db2.gz NIJDTKJDRADPKA-ZDUSSCGKSA-N 0 1 380.124 3.493 20 0 GGADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NC(=O)NCc1cccs1 ZINC000303251085 565568350 /nfs/dbraw/zinc/56/83/50/565568350.db2.gz NFUGSVVSJZGRBI-UHFFFAOYSA-N 0 1 377.897 3.396 20 0 GGADMN CCOC(=O)CCCNC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000303167658 565568801 /nfs/dbraw/zinc/56/88/01/565568801.db2.gz VDUPYGHRGQNHOE-UHFFFAOYSA-N 0 1 375.296 3.278 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000278635975 565569169 /nfs/dbraw/zinc/56/91/69/565569169.db2.gz LFZRLDCNPRYNOP-CYBMUJFWSA-N 0 1 386.323 3.117 20 0 GGADMN C[C@@H]1CN(Cc2coc(-c3ccc(I)cc3)n2)C[C@H]1CO ZINC000190899310 565569360 /nfs/dbraw/zinc/56/93/60/565569360.db2.gz VVJVJXXLJBQFFV-YPMHNXCESA-N 0 1 398.244 3.006 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000278620071 565569860 /nfs/dbraw/zinc/56/98/60/565569860.db2.gz WZAFTXGPFMYDKG-HSZRJFAPSA-N 0 1 387.910 3.336 20 0 GGADMN C[C@H]1CCC[C@@]1(O)CNCc1c(Br)cncc1Br ZINC000394532657 565571075 /nfs/dbraw/zinc/57/10/75/565571075.db2.gz PPXVRRGCPNDCIF-TVQRCGJNSA-N 0 1 378.108 3.247 20 0 GGADMN O[C@@H]1CCCCC[C@H]1NCc1c(Br)cncc1Br ZINC000394544689 565571216 /nfs/dbraw/zinc/57/12/16/565571216.db2.gz YQAIGHYDOGDUGA-CHWSQXEVSA-N 0 1 378.108 3.390 20 0 GGADMN CC(C)(C)C[C@H](O)CNCc1c(Br)cncc1Br ZINC000394576118 565572229 /nfs/dbraw/zinc/57/22/29/565572229.db2.gz QZNWJJJZSFHCOJ-VIFPVBQESA-N 0 1 380.124 3.493 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000303683253 565573442 /nfs/dbraw/zinc/57/34/42/565573442.db2.gz ZKVQHNLEULMEIA-CYBMUJFWSA-N 0 1 380.432 3.128 20 0 GGADMN Cc1ccc(CNCc2cc(Br)ccc2OC(F)F)c(=O)n1C ZINC000278721383 565574138 /nfs/dbraw/zinc/57/41/38/565574138.db2.gz LBJZIPSQLUFBPS-UHFFFAOYSA-N 0 1 387.224 3.347 20 0 GGADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1Br ZINC000278715634 565574328 /nfs/dbraw/zinc/57/43/28/565574328.db2.gz KSARVTPZSLZGAY-ZDUSSCGKSA-N 0 1 382.302 3.166 20 0 GGADMN Fc1ccc(N2CCN(CCNc3ccc(Br)cn3)CC2)cc1 ZINC000303834743 565575112 /nfs/dbraw/zinc/57/51/12/565575112.db2.gz PGQIQSXINLOWPH-UHFFFAOYSA-N 0 1 379.277 3.217 20 0 GGADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1C(C)C ZINC000190979290 565575083 /nfs/dbraw/zinc/57/50/83/565575083.db2.gz PFTNSNCNZGCOHT-GFCCVEGCSA-N 0 1 387.889 3.332 20 0 GGADMN COC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000278746933 565575311 /nfs/dbraw/zinc/57/53/11/565575311.db2.gz AOMFILIPIAXAGP-ZIAGYGMSSA-N 0 1 380.794 3.081 20 0 GGADMN CCOCCCNC(=O)[C@@H](C)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000303859741 565575447 /nfs/dbraw/zinc/57/54/47/565575447.db2.gz MHBZXGJDTAJRHJ-OAHLLOKOSA-N 0 1 397.357 3.344 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)NCc1nnnn1CC(F)(F)F ZINC000190988373 565576022 /nfs/dbraw/zinc/57/60/22/565576022.db2.gz TZKLYCRSCKBOIM-UHFFFAOYSA-N 0 1 392.223 3.109 20 0 GGADMN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN(C2CCCC2)CC1 ZINC000303951108 565576255 /nfs/dbraw/zinc/57/62/55/565576255.db2.gz IJIIWPJWOLHXSA-AWEZNQCLSA-N 0 1 381.314 3.303 20 0 GGADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000310076012 565577696 /nfs/dbraw/zinc/57/76/96/565577696.db2.gz GLORZDBFMAAIKL-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Br)ccc1[O-] ZINC000310076012 565577700 /nfs/dbraw/zinc/57/77/00/565577700.db2.gz GLORZDBFMAAIKL-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C2 ZINC000398823083 565577727 /nfs/dbraw/zinc/57/77/27/565577727.db2.gz DVLGQQMFCGTSMU-UHFFFAOYSA-N 0 1 377.204 3.246 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 ZINC000309563949 565577990 /nfs/dbraw/zinc/57/79/90/565577990.db2.gz URCNFMPRPBQGOE-UHFFFAOYSA-N 0 1 397.338 3.202 20 0 GGADMN CNC(=O)[C@H]1CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000173724544 565579313 /nfs/dbraw/zinc/57/93/13/565579313.db2.gz ZCIGKDOJCMCXOW-ZDUSSCGKSA-N 0 1 378.270 3.062 20 0 GGADMN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(CN2CCSCC2)cc1 ZINC000624843471 565579760 /nfs/dbraw/zinc/57/97/60/565579760.db2.gz BPLUJWQJZDHLFN-UHFFFAOYSA-N 0 1 388.440 3.358 20 0 GGADMN Fc1cc(Br)ccc1CNCCn1cc(Br)cn1 ZINC000311183451 565579800 /nfs/dbraw/zinc/57/98/00/565579800.db2.gz ZWYHEAQTKIZFOY-UHFFFAOYSA-N 0 1 377.055 3.337 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1(CO)CCOCC1 ZINC000191040215 565579993 /nfs/dbraw/zinc/57/99/93/565579993.db2.gz AMTJETPMBSEQKB-UHFFFAOYSA-N 0 1 381.687 3.059 20 0 GGADMN CN(Cc1coc(-c2ccc(Br)cc2)n1)C1(CO)CCOCC1 ZINC000191037352 565580000 /nfs/dbraw/zinc/58/00/00/565580000.db2.gz WZICIFHSBKEVEA-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000173734354 565580134 /nfs/dbraw/zinc/58/01/34/565580134.db2.gz YNOYZYRYRDTUMT-KGLIPLIRSA-N 0 1 389.323 3.156 20 0 GGADMN CCN(C1CCN(Cc2ccc(C(F)(F)F)cc2C)CC1)S(C)(=O)=O ZINC000191069830 565580584 /nfs/dbraw/zinc/58/05/84/565580584.db2.gz SQMSHQSERMTAFT-UHFFFAOYSA-N 0 1 378.460 3.260 20 0 GGADMN CC[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000173734701 565580862 /nfs/dbraw/zinc/58/08/62/565580862.db2.gz VGWGDNLLPSBXPJ-LBPRGKRZSA-N 0 1 376.448 3.350 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3ccoc3)cc2Br)CC1 ZINC000191081342 565581490 /nfs/dbraw/zinc/58/14/90/565581490.db2.gz FITKNUHOMJLFRL-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN Cc1cc(Br)ccc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278862394 565582105 /nfs/dbraw/zinc/58/21/05/565582105.db2.gz NFDBJNYPMZRYSB-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Br)s1 ZINC000173750849 565582802 /nfs/dbraw/zinc/58/28/02/565582802.db2.gz FQSZMYUSEOXYGK-MRVPVSSYSA-N 0 1 378.255 3.433 20 0 GGADMN Cn1ccc(N2CCC[C@H](N[C@H]3CCSc4ccc(Cl)cc43)C2=O)n1 ZINC000173765249 565583541 /nfs/dbraw/zinc/58/35/41/565583541.db2.gz AYGZFSUDUNCFJA-GJZGRUSLSA-N 0 1 376.913 3.396 20 0 GGADMN COc1cc(Br)ccc1C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313355010 565584078 /nfs/dbraw/zinc/58/40/78/565584078.db2.gz MYYNXAQZDCQHOP-MRXNPFEDSA-N 0 1 375.266 3.244 20 0 GGADMN COc1ccc(C(=O)N2CCNC[C@H]2c2ccccc2)cc1Br ZINC000313363878 565584321 /nfs/dbraw/zinc/58/43/21/565584321.db2.gz UKOZYIQBLBSSAB-INIZCTEOSA-N 0 1 375.266 3.244 20 0 GGADMN COc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)cc1Br ZINC000313363879 565584869 /nfs/dbraw/zinc/58/48/69/565584869.db2.gz UKOZYIQBLBSSAB-MRXNPFEDSA-N 0 1 375.266 3.244 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2cc(C)c(Br)cc2F)nc1C ZINC000314276778 565586339 /nfs/dbraw/zinc/58/63/39/565586339.db2.gz MZOHSULDTYVFQM-UHFFFAOYSA-N 0 1 376.251 3.222 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc(-c3cccc(Br)c3)no1)CC2 ZINC000405364026 565587533 /nfs/dbraw/zinc/58/75/33/565587533.db2.gz RQDVXQHZCLDVQJ-CYBMUJFWSA-N 0 1 392.253 3.186 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1OC ZINC000314799558 565587958 /nfs/dbraw/zinc/58/79/58/565587958.db2.gz DKJQPQLBMLRKRS-UHFFFAOYSA-N 0 1 387.255 3.052 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1Br ZINC000278995112 565589556 /nfs/dbraw/zinc/58/95/56/565589556.db2.gz LBDMYDGROGYZCO-ZDUSSCGKSA-N 0 1 382.233 3.087 20 0 GGADMN Cc1c([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)cnn1C(C)C ZINC000191229938 565589654 /nfs/dbraw/zinc/58/96/54/565589654.db2.gz ZOCOKBWZDAHIPX-CYBMUJFWSA-N 0 1 384.933 3.055 20 0 GGADMN Cc1c([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)cnn1C(C)C ZINC000191229949 565589966 /nfs/dbraw/zinc/58/99/66/565589966.db2.gz ZOCOKBWZDAHIPX-ZDUSSCGKSA-N 0 1 384.933 3.055 20 0 GGADMN Cc1cc(SCC(=O)NCCCc2nc[nH]n2)c(C)cc1Br ZINC000315290974 565590635 /nfs/dbraw/zinc/59/06/35/565590635.db2.gz DHMPAKSNDSKXTN-UHFFFAOYSA-N 0 1 383.315 3.025 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)Cc2c(C)nc3sccn32)c1Br ZINC000279063406 565593420 /nfs/dbraw/zinc/59/34/20/565593420.db2.gz PMAYHOLMWXRUIU-UHFFFAOYSA-N 0 1 382.287 3.024 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC[N@H+]1C[C@@H](C)O ZINC000191282703 565593779 /nfs/dbraw/zinc/59/37/79/565593779.db2.gz ABXTVHQBJSPHSX-VXGBXAGGSA-N 0 1 390.311 3.311 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CCN1C[C@@H](C)O ZINC000191282703 565593783 /nfs/dbraw/zinc/59/37/83/565593783.db2.gz ABXTVHQBJSPHSX-VXGBXAGGSA-N 0 1 390.311 3.311 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCO[C@H]2CCC[C@H]21 ZINC000408098466 565594400 /nfs/dbraw/zinc/59/44/00/565594400.db2.gz VAXNZYJQLWOLHZ-OLZOCXBDSA-N 0 1 376.254 3.233 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1F ZINC000317804650 565595068 /nfs/dbraw/zinc/59/50/68/565595068.db2.gz XCULGIYCTVRETR-UHFFFAOYSA-N 0 1 393.322 3.083 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3noc(C)n3)n2)cc1Br ZINC000191314298 565595547 /nfs/dbraw/zinc/59/55/47/565595547.db2.gz KCRLMJBFKBLWED-UHFFFAOYSA-N 0 1 382.243 3.227 20 0 GGADMN COC[C@@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000279108143 565595511 /nfs/dbraw/zinc/59/55/11/565595511.db2.gz RZACAVPPPROUDH-KGLIPLIRSA-N 0 1 381.687 3.369 20 0 GGADMN COc1ccc(-c2n[nH]c(SCCC3OCCO3)n2)cc1Br ZINC000191319185 565595749 /nfs/dbraw/zinc/59/57/49/565595749.db2.gz BPARJPWDLICLLM-UHFFFAOYSA-N 0 1 386.271 3.098 20 0 GGADMN CCN(CC)C(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191310064 565596019 /nfs/dbraw/zinc/59/60/19/565596019.db2.gz PSLZQCDBUSRNIR-UHFFFAOYSA-N 0 1 399.314 3.203 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H]3CCCCNC3=O)n2)cc1Br ZINC000191320453 565596209 /nfs/dbraw/zinc/59/62/09/565596209.db2.gz MSKNYGMFFMKAOH-LBPRGKRZSA-N 0 1 397.298 3.004 20 0 GGADMN COC[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(Cl)cc1 ZINC000279171133 565599405 /nfs/dbraw/zinc/59/94/05/565599405.db2.gz HHPULCZXLYYFMD-JTQLQIEISA-N 0 1 375.928 3.076 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nnnn1-c1ccccc1Br ZINC000191375829 565600323 /nfs/dbraw/zinc/60/03/23/565600323.db2.gz ZIQJLMYYIAHKBB-LSDHHAIUSA-N 0 1 394.317 3.108 20 0 GGADMN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Cl)cc1Cl ZINC000173944153 565601025 /nfs/dbraw/zinc/60/10/25/565601025.db2.gz AJUNIDDVDBBEKL-LLVKDONJSA-N 0 1 380.275 3.059 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)c1Br ZINC000279214256 565601203 /nfs/dbraw/zinc/60/12/03/565601203.db2.gz LJHHZXVZITYGQI-UHFFFAOYSA-N 0 1 390.285 3.316 20 0 GGADMN C[C@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC2(CCOCC2)O1 ZINC000279221186 565601832 /nfs/dbraw/zinc/60/18/32/565601832.db2.gz NWNMGMMJMJQTOH-NSHDSACASA-N 0 1 381.885 3.202 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1Br ZINC000320365267 565602030 /nfs/dbraw/zinc/60/20/30/565602030.db2.gz HVBOFCHPZJVKLF-CQSZACIVSA-N 0 1 383.286 3.415 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000320415612 565602198 /nfs/dbraw/zinc/60/21/98/565602198.db2.gz RKNRPZAPJQEQKD-LBPRGKRZSA-N 0 1 387.249 3.246 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000320415612 565602201 /nfs/dbraw/zinc/60/22/01/565602201.db2.gz RKNRPZAPJQEQKD-LBPRGKRZSA-N 0 1 387.249 3.246 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1Br ZINC000320365266 565602397 /nfs/dbraw/zinc/60/23/97/565602397.db2.gz HVBOFCHPZJVKLF-AWEZNQCLSA-N 0 1 383.286 3.415 20 0 GGADMN Clc1sc(CN2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000191424656 565602711 /nfs/dbraw/zinc/60/27/11/565602711.db2.gz WZQULZWNFUFLBS-LLVKDONJSA-N 0 1 379.751 3.318 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000320549090 565603248 /nfs/dbraw/zinc/60/32/48/565603248.db2.gz RWQQERBCTOVDFT-LLVKDONJSA-N 0 1 380.242 3.186 20 0 GGADMN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000173976280 565603329 /nfs/dbraw/zinc/60/33/29/565603329.db2.gz APEAJWFHTQRQRY-UHFFFAOYSA-N 0 1 376.463 3.070 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000321096944 565604468 /nfs/dbraw/zinc/60/44/68/565604468.db2.gz VUTXZEGLCMEIKO-ZDUSSCGKSA-N 0 1 380.242 3.328 20 0 GGADMN O=C(c1[nH]nc(C2CC2)c1Br)N1CCN(C2CCCCC2)CC1 ZINC000408351252 565605221 /nfs/dbraw/zinc/60/52/21/565605221.db2.gz ZGYLYDDEHVPQNX-UHFFFAOYSA-N 0 1 381.318 3.140 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncc(C(C)C)s3)cc2C[C@H]1C ZINC000174011748 565606490 /nfs/dbraw/zinc/60/64/90/565606490.db2.gz DSWMCJUXMZMQDZ-LLVKDONJSA-N 0 1 379.507 3.365 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncc(C(C)C)s3)cc2C[C@@H]1C ZINC000174011760 565606786 /nfs/dbraw/zinc/60/67/86/565606786.db2.gz DSWMCJUXMZMQDZ-NSHDSACASA-N 0 1 379.507 3.365 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000174031914 565607574 /nfs/dbraw/zinc/60/75/74/565607574.db2.gz BOANZLZKDJMUOU-JTQLQIEISA-N 0 1 392.472 3.368 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000174029894 565607675 /nfs/dbraw/zinc/60/76/75/565607675.db2.gz QSVVGUKDLZTKKO-CQSZACIVSA-N 0 1 385.961 3.200 20 0 GGADMN CCSCC[C@H](C)N(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000174029904 565608159 /nfs/dbraw/zinc/60/81/59/565608159.db2.gz QSVVGUKDLZTKKO-AWEZNQCLSA-N 0 1 385.961 3.200 20 0 GGADMN NC(=O)C1(NCc2ccc(OCc3ccccc3)c(Br)c2)CC1 ZINC000191487641 565608319 /nfs/dbraw/zinc/60/83/19/565608319.db2.gz OLLIDUQGVGHRLF-UHFFFAOYSA-N 0 1 375.266 3.136 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)[nH]1 ZINC000174056607 565608752 /nfs/dbraw/zinc/60/87/52/565608752.db2.gz JUFLZMBZDCBFDJ-UHFFFAOYSA-N 0 1 381.433 3.169 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)n1 ZINC000174056607 565608756 /nfs/dbraw/zinc/60/87/56/565608756.db2.gz JUFLZMBZDCBFDJ-UHFFFAOYSA-N 0 1 381.433 3.169 20 0 GGADMN CCOCCOCc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1C ZINC000174056046 565609321 /nfs/dbraw/zinc/60/93/21/565609321.db2.gz BTMITGOKLGNWMQ-UHFFFAOYSA-N 0 1 384.885 3.397 20 0 GGADMN NC(=O)[C@H](NC[C@H]1CCOc2ccccc21)c1ccc(Br)cc1F ZINC000174072509 565609996 /nfs/dbraw/zinc/60/99/96/565609996.db2.gz QYDYCXGCFJKFIQ-PIGZYNQJSA-N 0 1 393.256 3.271 20 0 GGADMN NC(=O)[C@H](NC[C@@H]1CCc2ccccc21)c1ccc(Br)cc1F ZINC000174076021 565611299 /nfs/dbraw/zinc/61/12/99/565611299.db2.gz QMFNULLNKYLCGT-YVEFUNNKSA-N 0 1 377.257 3.434 20 0 GGADMN Cc1cc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)ccc1Br ZINC000322854624 565611443 /nfs/dbraw/zinc/61/14/43/565611443.db2.gz QYDPMJQCYIVSOY-MRXNPFEDSA-N 0 1 381.314 3.084 20 0 GGADMN NC(=O)[C@@H](NC[C@H]1CCc2ccccc21)c1ccc(Br)cc1F ZINC000174075979 565611535 /nfs/dbraw/zinc/61/15/35/565611535.db2.gz QMFNULLNKYLCGT-PXAZEXFGSA-N 0 1 377.257 3.434 20 0 GGADMN CCN1CCCC[C@@H]1CNC(=O)c1scc(C)c1I ZINC000191540284 565611830 /nfs/dbraw/zinc/61/18/30/565611830.db2.gz CJVNGXPPHHGESJ-LLVKDONJSA-N 0 1 392.306 3.265 20 0 GGADMN C[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)C(=O)N1CCCC1 ZINC000323224744 565612959 /nfs/dbraw/zinc/61/29/59/565612959.db2.gz RIHXRYVHPOZWEY-JTQLQIEISA-N 0 1 395.219 3.448 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1nnc[nH]1 ZINC000191569115 565613384 /nfs/dbraw/zinc/61/33/84/565613384.db2.gz IXBMINCZCSYGED-ZCFIWIBFSA-N 0 1 394.151 3.349 20 0 GGADMN CCOCCOCCN(C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000191569328 565613433 /nfs/dbraw/zinc/61/34/33/565613433.db2.gz MDSMWXGYSWTKNR-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(Br)cc1OC(F)(F)F)c1nnc[nH]1 ZINC000191569100 565613548 /nfs/dbraw/zinc/61/35/48/565613548.db2.gz IXBMINCZCSYGED-LURJTMIESA-N 0 1 394.151 3.349 20 0 GGADMN O=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1c(F)cc(F)cc1Br ZINC000174124173 565614481 /nfs/dbraw/zinc/61/44/81/565614481.db2.gz DHFKFTGIAXOZHW-JTQLQIEISA-N 0 1 389.240 3.167 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)c1nnc[nH]1 ZINC000279491113 565615460 /nfs/dbraw/zinc/61/54/60/565615460.db2.gz OYYFVPLBKYYSJW-LURJTMIESA-N 0 1 394.151 3.349 20 0 GGADMN O=C(NCCOCC(F)F)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000191602502 565615619 /nfs/dbraw/zinc/61/56/19/565615619.db2.gz APCBGCBBKSDRQF-OAHLLOKOSA-N 0 1 375.847 3.058 20 0 GGADMN O=S(=O)(NCCN1CC[C@H](CSc2ccccc2)C1)c1ccccc1 ZINC000174142299 565615920 /nfs/dbraw/zinc/61/59/20/565615920.db2.gz FYAFHYOIPYTPNS-KRWDZBQOSA-N 0 1 376.547 3.079 20 0 GGADMN CC(C)c1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)n(C)n1 ZINC000174143804 565616502 /nfs/dbraw/zinc/61/65/02/565616502.db2.gz FBJOYTSHMNHPHW-UHFFFAOYSA-N 0 1 389.257 3.343 20 0 GGADMN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc(Br)cc1O ZINC000279508225 565616891 /nfs/dbraw/zinc/61/68/91/565616891.db2.gz ZDGAJRYGUSKHMU-JTQLQIEISA-N 0 1 380.242 3.035 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174164914 565618028 /nfs/dbraw/zinc/61/80/28/565618028.db2.gz PRPJCLRFZYQBMY-FVQBIDKESA-N 0 1 383.319 3.278 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174163143 565618401 /nfs/dbraw/zinc/61/84/01/565618401.db2.gz XIEYDQDTXPMCLY-MRXNPFEDSA-N 0 1 382.957 3.393 20 0 GGADMN COC(=O)CCN(Cc1ccc(CO)o1)Cc1cccc(Br)c1 ZINC000191631164 565618475 /nfs/dbraw/zinc/61/84/75/565618475.db2.gz CKUVIIXYKYIWII-UHFFFAOYSA-N 0 1 382.254 3.100 20 0 GGADMN CC(C)Oc1ncccc1CNC[C@@H](O)COc1ccc(Br)cc1 ZINC000324736473 565618725 /nfs/dbraw/zinc/61/87/25/565618725.db2.gz KSADPCHPTRGHHG-MRXNPFEDSA-N 0 1 395.297 3.161 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2cc(Br)cs2)C1=O ZINC000191644609 565619543 /nfs/dbraw/zinc/61/95/43/565619543.db2.gz IVBXRJVLBWZGKY-CYBMUJFWSA-N 0 1 383.315 3.012 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174191652 565620106 /nfs/dbraw/zinc/62/01/06/565620106.db2.gz MEYHPANSASYFPM-KBRIMQKVSA-N 0 1 383.319 3.278 20 0 GGADMN Cc1nnc(SCC(=O)NCC2(c3ccc(Br)cc3)CCC2)[nH]1 ZINC000174204868 565620709 /nfs/dbraw/zinc/62/07/09/565620709.db2.gz GLJLIXKHXVJXDO-UHFFFAOYSA-N 0 1 395.326 3.206 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCC2(c3ccc(Br)cc3)CCC2)n1 ZINC000174204868 565620712 /nfs/dbraw/zinc/62/07/12/565620712.db2.gz GLJLIXKHXVJXDO-UHFFFAOYSA-N 0 1 395.326 3.206 20 0 GGADMN O=C(Cc1ccccc1Br)NCC1(N2CCOCC2)CCCCC1 ZINC000409501658 565620729 /nfs/dbraw/zinc/62/07/29/565620729.db2.gz MHBVVCVCBSXKNE-UHFFFAOYSA-N 0 1 395.341 3.143 20 0 GGADMN Cc1ccc(CCS(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000409530583 565622540 /nfs/dbraw/zinc/62/25/40/565622540.db2.gz UEDDXYSVJKKEFS-GOSISDBHSA-N 0 1 378.563 3.356 20 0 GGADMN C[C@]1(O)CCCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000279627350 565623448 /nfs/dbraw/zinc/62/34/48/565623448.db2.gz HNLOCAYPTUZVFB-SFHVURJKSA-N 0 1 383.330 3.023 20 0 GGADMN Cc1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)c(=O)n1C ZINC000279630356 565623687 /nfs/dbraw/zinc/62/36/87/565623687.db2.gz YYSMPUZIFUITLZ-INIZCTEOSA-N 0 1 377.282 3.460 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000174251903 565624935 /nfs/dbraw/zinc/62/49/35/565624935.db2.gz YYOUJQUZTPLVDQ-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCN3CCCC[C@H]3C)c2)n1 ZINC000409589141 565625945 /nfs/dbraw/zinc/62/59/45/565625945.db2.gz LTYGLJAQTYANTA-OAHLLOKOSA-N 0 1 379.551 3.271 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCN3CCCC[C@@H]3C)c2)n1 ZINC000409589140 565626103 /nfs/dbraw/zinc/62/61/03/565626103.db2.gz LTYGLJAQTYANTA-HNNXBMFYSA-N 0 1 379.551 3.271 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689010 565626653 /nfs/dbraw/zinc/62/66/53/565626653.db2.gz GANMEUTUJCEIMV-UKRRQHHQSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689010 565626655 /nfs/dbraw/zinc/62/66/55/565626655.db2.gz GANMEUTUJCEIMV-UKRRQHHQSA-N 0 1 390.307 3.003 20 0 GGADMN Cc1cc(C2CCN(C[C@@H]3CCS(=O)(=O)C3)CC2)ccc1Br ZINC000279734685 565630480 /nfs/dbraw/zinc/63/04/80/565630480.db2.gz NVPCEKOIZIYQSW-AWEZNQCLSA-N 0 1 386.355 3.372 20 0 GGADMN CCCOc1c(Cl)cc(CNCC2(S(C)(=O)=O)CC2)cc1OCC ZINC000279732599 565630757 /nfs/dbraw/zinc/63/07/57/565630757.db2.gz WEJBJCRXVCYEJS-UHFFFAOYSA-N 0 1 375.918 3.194 20 0 GGADMN O=C(CC1(O)CCCCC1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000174353003 565631111 /nfs/dbraw/zinc/63/11/11/565631111.db2.gz IFJDXCSRDPOLIJ-UHFFFAOYSA-N 0 1 379.258 3.258 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000191806080 565634089 /nfs/dbraw/zinc/63/40/89/565634089.db2.gz LIMBIFJGXQILRH-AWEZNQCLSA-N 0 1 382.295 3.219 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000191806094 565634106 /nfs/dbraw/zinc/63/41/06/565634106.db2.gz LIMBIFJGXQILRH-CQSZACIVSA-N 0 1 382.295 3.219 20 0 GGADMN COC(=O)c1ccc(CN[C@H]2COc3ccccc3C2)c(Br)c1 ZINC000328251066 565634312 /nfs/dbraw/zinc/63/43/12/565634312.db2.gz SOEJIGUBSMXDII-OAHLLOKOSA-N 0 1 376.250 3.329 20 0 GGADMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n1 ZINC000191811485 565634246 /nfs/dbraw/zinc/63/42/46/565634246.db2.gz TWENXUDEFZNOIY-SNVBAGLBSA-N 0 1 379.869 3.440 20 0 GGADMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000191808065 565634411 /nfs/dbraw/zinc/63/44/11/565634411.db2.gz WJKVBBVAHATVFX-UHFFFAOYSA-N 0 1 386.246 3.365 20 0 GGADMN C[C@@H]1CCSCCN1Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000191819039 565635589 /nfs/dbraw/zinc/63/55/89/565635589.db2.gz GEXXCTXWLPWSRC-MRXNPFEDSA-N 0 1 384.973 3.378 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCN1C1CC1 ZINC000279828531 565636036 /nfs/dbraw/zinc/63/60/36/565636036.db2.gz YVKAWOXXTKALNY-OAHLLOKOSA-N 0 1 384.307 3.407 20 0 GGADMN Cn1nccc1[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000328645844 565637292 /nfs/dbraw/zinc/63/72/92/565637292.db2.gz AWXMUBRMPYEPDA-HNNXBMFYSA-N 0 1 388.269 3.426 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)c2)n1 ZINC000328673046 565637959 /nfs/dbraw/zinc/63/79/59/565637959.db2.gz OUKQWUDOVVCNLV-DZGCQCFKSA-N 0 1 377.535 3.022 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cccc(OCc3cscn3)c2)[nH]1 ZINC000174468495 565638052 /nfs/dbraw/zinc/63/80/52/565638052.db2.gz RUEJBHOTKFEBCW-UHFFFAOYSA-N 0 1 375.479 3.270 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)c2)n1 ZINC000328673052 565638183 /nfs/dbraw/zinc/63/81/83/565638183.db2.gz OUKQWUDOVVCNLV-ZFWWWQNUSA-N 0 1 377.535 3.022 20 0 GGADMN CN1CCN(C(=O)C2(c3cncc(Br)c3)CC2)C2(CCCCC2)C1 ZINC000409760190 565638749 /nfs/dbraw/zinc/63/87/49/565638749.db2.gz JVQGFHDVGLHZPX-UHFFFAOYSA-N 0 1 392.341 3.353 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H](C)CN3CCCCC3)c2)n1 ZINC000328768286 565640667 /nfs/dbraw/zinc/64/06/67/565640667.db2.gz FZDXXGYJYMJEFO-AWEZNQCLSA-N 0 1 379.551 3.271 20 0 GGADMN O=S(=O)([N-]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000191902780 565641905 /nfs/dbraw/zinc/64/19/05/565641905.db2.gz FEDNEDDLURWZDG-UHFFFAOYSA-N 0 1 381.300 3.285 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000174547561 565643247 /nfs/dbraw/zinc/64/32/47/565643247.db2.gz YWXCMVCPXAZMHR-SNVBAGLBSA-N 0 1 379.251 3.156 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)[nH]1 ZINC000174558457 565643404 /nfs/dbraw/zinc/64/34/04/565643404.db2.gz SHICHNUAALWEDI-UHFFFAOYSA-N 0 1 380.886 3.406 20 0 GGADMN C[C@@H](NC(=O)c1cccnc1Oc1ccc(Br)cc1)c1nnc[nH]1 ZINC000174549560 565643626 /nfs/dbraw/zinc/64/36/26/565643626.db2.gz WINYSVQQXYDIQU-SNVBAGLBSA-N 0 1 388.225 3.246 20 0 GGADMN C[C@H](NC[C@H](O)c1ccsc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279952443 565643690 /nfs/dbraw/zinc/64/36/90/565643690.db2.gz BXNISXNABHMGMI-SDBXPKJASA-N 0 1 395.333 3.087 20 0 GGADMN CC[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCN1C[C@@H](C)O ZINC000174600112 565645502 /nfs/dbraw/zinc/64/55/02/565645502.db2.gz JJCPOZUYMUTOKU-YPMHNXCESA-N 0 1 384.307 3.392 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cncc(Br)c2)[nH]1 ZINC000191962161 565645381 /nfs/dbraw/zinc/64/53/81/565645381.db2.gz WXPMVHJGUPWHPL-UHFFFAOYSA-N 0 1 395.257 3.339 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000328872444 565645530 /nfs/dbraw/zinc/64/55/30/565645530.db2.gz ITARHERMUIJCLT-NSHDSACASA-N 0 1 384.864 3.043 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)n[nH]1 ZINC000409872890 565645689 /nfs/dbraw/zinc/64/56/89/565645689.db2.gz WQTHUILABBWFCS-MNOVXSKESA-N 0 1 381.274 3.335 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000328872443 565645809 /nfs/dbraw/zinc/64/58/09/565645809.db2.gz ITARHERMUIJCLT-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN NC(=O)[C@@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1cccc(Br)c1 ZINC000409867857 565646036 /nfs/dbraw/zinc/64/60/36/565646036.db2.gz BLDAANNIQOEMMI-CVEARBPZSA-N 0 1 379.685 3.386 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@@H]2COCC[C@@H]21 ZINC000328876423 565646034 /nfs/dbraw/zinc/64/60/34/565646034.db2.gz SNJXOMRZKDTZGH-KGLIPLIRSA-N 0 1 390.281 3.480 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)[nH]1 ZINC000280014841 565647142 /nfs/dbraw/zinc/64/71/42/565647142.db2.gz MYIMCBKZOUPVGM-UHFFFAOYSA-N 0 1 378.458 3.200 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c(C)cc1Br ZINC000328913268 565647161 /nfs/dbraw/zinc/64/71/61/565647161.db2.gz PKWXAOBQQAGQGI-UHFFFAOYSA-N 0 1 384.299 3.089 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2sc(C)nc2C)CC1 ZINC000191976901 565647616 /nfs/dbraw/zinc/64/76/16/565647616.db2.gz ZMDSTESQJXRDHF-UHFFFAOYSA-N 0 1 379.551 3.440 20 0 GGADMN C[C@@H](NC[C@@H](O)c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280036693 565647923 /nfs/dbraw/zinc/64/79/23/565647923.db2.gz ILZBHVROFISEJT-MEBBXXQBSA-N 0 1 389.304 3.025 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000328957791 565647993 /nfs/dbraw/zinc/64/79/93/565647993.db2.gz PLKVXVNIPMOUNK-WBMJQRKESA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000328957791 565647997 /nfs/dbraw/zinc/64/79/97/565647997.db2.gz PLKVXVNIPMOUNK-WBMJQRKESA-N 0 1 375.270 3.036 20 0 GGADMN C[C@H](NC[C@H](O)c1ccccc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280036690 565647942 /nfs/dbraw/zinc/64/79/42/565647942.db2.gz ILZBHVROFISEJT-BONVTDFDSA-N 0 1 389.304 3.025 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000192003521 565650044 /nfs/dbraw/zinc/65/00/44/565650044.db2.gz XLKUPAUZNSQHJU-CQSZACIVSA-N 0 1 389.721 3.473 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](C)CCc2ccc(Br)cc2)[nH]1 ZINC000174659039 565650156 /nfs/dbraw/zinc/65/01/56/565650156.db2.gz DZQAXYZGJRMHNH-SNVBAGLBSA-N 0 1 383.315 3.105 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](C)CCc2ccc(Br)cc2)n1 ZINC000174659039 565650159 /nfs/dbraw/zinc/65/01/59/565650159.db2.gz DZQAXYZGJRMHNH-SNVBAGLBSA-N 0 1 383.315 3.105 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000192003528 565650233 /nfs/dbraw/zinc/65/02/33/565650233.db2.gz XLKUPAUZNSQHJU-AWEZNQCLSA-N 0 1 389.721 3.473 20 0 GGADMN Cc1nnc(SCCC(=O)NCCCOc2ccc(Cl)cc2Cl)[nH]1 ZINC000174673570 565651216 /nfs/dbraw/zinc/65/12/16/565651216.db2.gz NOGQEYVGUIDWDJ-UHFFFAOYSA-N 0 1 389.308 3.487 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)[nH]1 ZINC000174692884 565652168 /nfs/dbraw/zinc/65/21/68/565652168.db2.gz TZBRQSGMGPHCCV-UHFFFAOYSA-N 0 1 376.873 3.132 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H](N4CCCC4)C[C@@H]3C)s2)cs1 ZINC000329047185 565652238 /nfs/dbraw/zinc/65/22/38/565652238.db2.gz GCCAPLVAQOXZFH-JSGCOSHPSA-N 0 1 397.591 3.427 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000329055841 565652391 /nfs/dbraw/zinc/65/23/91/565652391.db2.gz XULUWBXYMPBADA-ZAZJYDDPSA-N 0 1 381.263 3.204 20 0 GGADMN OC[C@H](NCC1=CCCOC1)c1ccc(Br)cc1C(F)(F)F ZINC000280106863 565652955 /nfs/dbraw/zinc/65/29/55/565652955.db2.gz ATFJIFXXXJWAJE-AWEZNQCLSA-N 0 1 380.204 3.438 20 0 GGADMN O=C([C@H]1CCc2[nH]nnc2C1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000329116766 565654033 /nfs/dbraw/zinc/65/40/33/565654033.db2.gz ISIWSMNPZFMULW-NSHDSACASA-N 0 1 387.281 3.141 20 0 GGADMN O=C([C@H]1CCc2nn[nH]c2C1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000329116766 565654041 /nfs/dbraw/zinc/65/40/41/565654041.db2.gz ISIWSMNPZFMULW-NSHDSACASA-N 0 1 387.281 3.141 20 0 GGADMN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH]nnc3C2)ccc1Br ZINC000329125620 565655353 /nfs/dbraw/zinc/65/53/53/565655353.db2.gz MJGJUTVBPFLRTA-DYVFJYSZSA-N 0 1 389.297 3.344 20 0 GGADMN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCc3nn[nH]c3C2)ccc1Br ZINC000329125620 565655359 /nfs/dbraw/zinc/65/53/59/565655359.db2.gz MJGJUTVBPFLRTA-DYVFJYSZSA-N 0 1 389.297 3.344 20 0 GGADMN CCOC[C@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073308 565655569 /nfs/dbraw/zinc/65/55/69/565655569.db2.gz ZLSXFLFSUYRCJK-WMLDXEAASA-N 0 1 381.314 3.303 20 0 GGADMN O=c1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)nc2sccn21 ZINC000192081890 565657048 /nfs/dbraw/zinc/65/70/48/565657048.db2.gz SLNCLOGYEONVCA-GDBMZVCRSA-N 0 1 379.844 3.168 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(Br)cn2)cc1 ZINC000280196276 565657602 /nfs/dbraw/zinc/65/76/02/565657602.db2.gz SOTMDEDDNJSZRZ-VXGBXAGGSA-N 0 1 398.326 3.164 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(Br)cn2)cc1 ZINC000280196268 565658019 /nfs/dbraw/zinc/65/80/19/565658019.db2.gz SOTMDEDDNJSZRZ-NEPJUHHUSA-N 0 1 398.326 3.164 20 0 GGADMN CSc1ccccc1NC(=O)CCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174789898 565659732 /nfs/dbraw/zinc/65/97/32/565659732.db2.gz COUOKGBNJZCVSO-RDJZCZTQSA-N 0 1 384.567 3.025 20 0 GGADMN Cc1nnc(SCCC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)[nH]1 ZINC000174797584 565659940 /nfs/dbraw/zinc/65/99/40/565659940.db2.gz SZDNUTFSTWYTPU-NHYWBVRUSA-N 0 1 380.901 3.237 20 0 GGADMN Cc1nnc(SCCC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)[nH]1 ZINC000174797576 565660091 /nfs/dbraw/zinc/66/00/91/565660091.db2.gz SZDNUTFSTWYTPU-XHDPSFHLSA-N 0 1 380.901 3.237 20 0 GGADMN Cc1nnc(SCCC(=O)NCCc2nc(C3CCCCC3)cs2)[nH]1 ZINC000174793783 565660175 /nfs/dbraw/zinc/66/01/75/565660175.db2.gz NENIQABTSKKVKL-UHFFFAOYSA-N 0 1 379.555 3.458 20 0 GGADMN COc1ccc(Br)cc1-c1nc(CN(C)Cc2nnc[nH]2)cs1 ZINC000174814109 565661160 /nfs/dbraw/zinc/66/11/60/565661160.db2.gz KVTGRAQAIYYTTG-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000625836540 565662235 /nfs/dbraw/zinc/66/22/35/565662235.db2.gz ISIVSSWCULGHTJ-CQSZACIVSA-N 0 1 377.539 3.292 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)s1 ZINC000192140610 565662205 /nfs/dbraw/zinc/66/22/05/565662205.db2.gz UUOPGIJYSOFXGI-WMLDXEAASA-N 0 1 386.851 3.416 20 0 GGADMN Cc1noc(C)c1CCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280280438 565662507 /nfs/dbraw/zinc/66/25/07/565662507.db2.gz YNNGAYGVPMGSGW-QMMMGPOBSA-N 0 1 392.308 3.139 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000329328056 565663006 /nfs/dbraw/zinc/66/30/06/565663006.db2.gz KHHYOICCJOUJPQ-WBVHZDCISA-N 0 1 376.254 3.109 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192147066 565663159 /nfs/dbraw/zinc/66/31/59/565663159.db2.gz SAQMIRWXAXWAKO-LLVKDONJSA-N 0 1 389.279 3.013 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3csc(I)c3)[nH]c2c1 ZINC000174882145 565664418 /nfs/dbraw/zinc/66/44/18/565664418.db2.gz JZXWIDPARYLZGA-UHFFFAOYSA-N 0 1 397.241 3.467 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)nc1 ZINC000280304644 565664910 /nfs/dbraw/zinc/66/49/10/565664910.db2.gz NUKJEYBESYCYBS-NVXWUHKLSA-N 0 1 377.897 3.040 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H](O)C12CCCC2 ZINC000329428419 565665554 /nfs/dbraw/zinc/66/55/54/565665554.db2.gz JNWHPUXVYGCQHW-MRXNPFEDSA-N 0 1 390.281 3.359 20 0 GGADMN NC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)s1 ZINC000174914052 565665812 /nfs/dbraw/zinc/66/58/12/565665812.db2.gz JNFRMHGXIXTCDO-UHFFFAOYSA-N 0 1 375.631 3.221 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)[nH]1 ZINC000174903958 565666320 /nfs/dbraw/zinc/66/63/20/565666320.db2.gz MRGRSMYHFXPRJR-VWLOTQADSA-N 0 1 380.539 3.281 20 0 GGADMN NC(=O)c1csc(C(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000174913276 565666497 /nfs/dbraw/zinc/66/64/97/565666497.db2.gz SJLSYXYRTUFUPG-UHFFFAOYSA-N 0 1 375.631 3.221 20 0 GGADMN Cn1ccc(N2CCC[C@@H](NCc3ccc(Br)c(Cl)c3)C2=O)n1 ZINC000192184919 565666707 /nfs/dbraw/zinc/66/67/07/565666707.db2.gz NREAYOBGCRKZJZ-CQSZACIVSA-N 0 1 397.704 3.121 20 0 GGADMN Cn1nnc2cc(C(=O)Nc3cc(Cl)cc(Br)c3O)ccc21 ZINC000174923193 565666809 /nfs/dbraw/zinc/66/68/09/565666809.db2.gz DATKKBXQSRAXPV-UHFFFAOYSA-N 0 1 381.617 3.342 20 0 GGADMN O=C(CN1CCCCCC1=O)Nc1cc(Cl)cc(Br)c1O ZINC000174922163 565666825 /nfs/dbraw/zinc/66/68/25/565666825.db2.gz HCZACVNRMBBONQ-UHFFFAOYSA-N 0 1 375.650 3.149 20 0 GGADMN CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000174917521 565666847 /nfs/dbraw/zinc/66/68/47/565666847.db2.gz HBHYCNUQJSWDSR-VIFPVBQESA-N 0 1 375.650 3.005 20 0 GGADMN CC(=O)Nc1nc(C(=O)Nc2cc(Cl)cc(Br)c2O)cs1 ZINC000174923934 565667256 /nfs/dbraw/zinc/66/72/56/565667256.db2.gz IBCGHKXMBDROSP-UHFFFAOYSA-N 0 1 390.646 3.475 20 0 GGADMN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174923478 565667566 /nfs/dbraw/zinc/66/75/66/565667566.db2.gz WSDQKXOIMDQKDQ-PSASIEDQSA-N 0 1 378.650 3.331 20 0 GGADMN CC(C)CCC(=O)NCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174916870 565667605 /nfs/dbraw/zinc/66/76/05/565667605.db2.gz CHEDRZDMKSYUIW-UHFFFAOYSA-N 0 1 377.666 3.299 20 0 GGADMN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174923423 565667661 /nfs/dbraw/zinc/66/76/61/565667661.db2.gz WSDQKXOIMDQKDQ-WPRPVWTQSA-N 0 1 378.650 3.331 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccnc(-n2cncn2)c1 ZINC000174918373 565667749 /nfs/dbraw/zinc/66/77/49/565667749.db2.gz DPMGZRPMDCIUHW-UHFFFAOYSA-N 0 1 394.616 3.036 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1 ZINC000410155917 565668520 /nfs/dbraw/zinc/66/85/20/565668520.db2.gz QHFHZFYAZOSIEO-ZFWWWQNUSA-N 0 1 389.323 3.234 20 0 GGADMN CCc1ncc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)s1 ZINC000329505678 565669068 /nfs/dbraw/zinc/66/90/68/565669068.db2.gz 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OVDSLIOMOFOINY-LBPRGKRZSA-N 0 1 376.341 3.153 20 0 GGADMN CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000330628230 565714725 /nfs/dbraw/zinc/71/47/25/565714725.db2.gz LIJNZBWIVRBIMQ-RNCFNFMXSA-N 0 1 398.269 3.209 20 0 GGADMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000192850078 565715022 /nfs/dbraw/zinc/71/50/22/565715022.db2.gz QCTCTIZHTJSYGX-GFCCVEGCSA-N 0 1 388.265 3.085 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3cc4sc(N5CCCC5)nc4s3)[C@@H]2C1 ZINC000281174844 565715589 /nfs/dbraw/zinc/71/55/89/565715589.db2.gz LLWOMRNJTQVWOY-CHWSQXEVSA-N 0 1 376.551 3.124 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)CCC(F)(F)F)C3)[nH]c2c1 ZINC000281164365 565715618 /nfs/dbraw/zinc/71/56/18/565715618.db2.gz LVAREAHYWQDFFF-GFCCVEGCSA-N 0 1 375.416 3.333 20 0 GGADMN O=C(Cc1cccc(Br)c1)NC1CCN(Cc2cccnc2)CC1 ZINC000175678891 565715873 /nfs/dbraw/zinc/71/58/73/565715873.db2.gz HBQWXHKYZQDIJE-UHFFFAOYSA-N 0 1 388.309 3.167 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(Br)cs1 ZINC000175677037 565716075 /nfs/dbraw/zinc/71/60/75/565716075.db2.gz ZLQKZORXZVXXBW-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3O)n[nH]2)sc1C ZINC000192953625 565720989 /nfs/dbraw/zinc/72/09/89/565720989.db2.gz YQTVDEWPRBIOFZ-JTQLQIEISA-N 0 1 375.479 3.370 20 0 GGADMN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccccc1C(F)(F)F ZINC000330782217 565722742 /nfs/dbraw/zinc/72/27/42/565722742.db2.gz YTXFRJGABVUUGL-UHFFFAOYSA-N 0 1 377.306 3.095 20 0 GGADMN Cc1nc([C@H](C)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000411313920 565723405 /nfs/dbraw/zinc/72/34/05/565723405.db2.gz QNISVNDGNUOWPY-OLZOCXBDSA-N 0 1 378.318 3.315 20 0 GGADMN CSc1ccc(OC[C@H](O)CN(C)Cc2cc(Br)cn2C)cc1 ZINC000411317280 565724796 /nfs/dbraw/zinc/72/47/96/565724796.db2.gz ODJZTHGGWSHYJT-OAHLLOKOSA-N 0 1 399.354 3.381 20 0 GGADMN O=C(c1ccc(C2SCCS2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175831469 565726365 /nfs/dbraw/zinc/72/63/65/565726365.db2.gz IOCRBQLVKBPWQW-UHFFFAOYSA-N 0 1 378.563 3.102 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175847574 565726743 /nfs/dbraw/zinc/72/67/43/565726743.db2.gz QIAQPNCAOGNSGJ-AWEZNQCLSA-N 0 1 385.335 3.495 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175847598 565727050 /nfs/dbraw/zinc/72/70/50/565727050.db2.gz QIAQPNCAOGNSGJ-CQSZACIVSA-N 0 1 385.335 3.495 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cnc(-c3ccco3)s2)cc1 ZINC000193038251 565727945 /nfs/dbraw/zinc/72/79/45/565727945.db2.gz NDKPIDWHXSITPE-GFCCVEGCSA-N 0 1 377.491 3.162 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)n[nH]1 ZINC000281391212 565728018 /nfs/dbraw/zinc/72/80/18/565728018.db2.gz IDNHTILSWGVUNT-SSDOTTSWSA-N 0 1 388.230 3.190 20 0 GGADMN NS(=O)(=O)CC1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411418005 565728073 /nfs/dbraw/zinc/72/80/73/565728073.db2.gz JHKKHZVTPGAUGR-LJQANCHMSA-N 0 1 378.925 3.430 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000175853979 565728106 /nfs/dbraw/zinc/72/81/06/565728106.db2.gz NPKOHJFXERNBMJ-GFCCVEGCSA-N 0 1 392.297 3.439 20 0 GGADMN CSc1ccc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)s1 ZINC000330910844 565728437 /nfs/dbraw/zinc/72/84/37/565728437.db2.gz PVOXSKSCEWBMPE-UHFFFAOYSA-N 0 1 381.567 3.456 20 0 GGADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000281405106 565728746 /nfs/dbraw/zinc/72/87/46/565728746.db2.gz HKRIGXXVVUJNPF-GDBMZVCRSA-N 0 1 384.929 3.038 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000175862238 565729509 /nfs/dbraw/zinc/72/95/09/565729509.db2.gz HNCKCEYOMUEJTC-SFHVURJKSA-N 0 1 385.265 3.406 20 0 GGADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000281431603 565731299 /nfs/dbraw/zinc/73/12/99/565731299.db2.gz JKNNRRYCUJZORL-HOCLYGCPSA-N 0 1 384.929 3.038 20 0 GGADMN O=C(CCN[C@H](CCO)c1ccccc1Br)Nc1ccccc1 ZINC000411509481 565732996 /nfs/dbraw/zinc/73/29/96/565732996.db2.gz LTHSWPDCTREVBM-QGZVFWFLSA-N 0 1 377.282 3.491 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@@H]1NCc1c(F)c(F)c(Br)c(F)c1F ZINC000411542066 565734237 /nfs/dbraw/zinc/73/42/37/565734237.db2.gz PNXAEAIAECETKT-SVRRBLITSA-N 0 1 383.183 3.139 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000281507142 565734583 /nfs/dbraw/zinc/73/45/83/565734583.db2.gz JYBIHTQDIYYFQK-TVYUQYBPSA-N 0 1 378.274 3.046 20 0 GGADMN C[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1nnc[nH]1 ZINC000175942743 565735843 /nfs/dbraw/zinc/73/58/43/565735843.db2.gz NIMCILWEEPWLAB-VIFPVBQESA-N 0 1 392.282 3.111 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2c[nH]c3ncc(Br)cc23)n[nH]1 ZINC000281563123 565736754 /nfs/dbraw/zinc/73/67/54/565736754.db2.gz LWZIHNHSGCGTSK-QMMMGPOBSA-N 0 1 377.246 3.058 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)oc1C ZINC000175964938 565736793 /nfs/dbraw/zinc/73/67/93/565736793.db2.gz KFTFLQJTOSFQHC-UHFFFAOYSA-N 0 1 381.303 3.333 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Br)ccc2F)oc1C ZINC000175965137 565736938 /nfs/dbraw/zinc/73/69/38/565736938.db2.gz HXORDYPJCFCIPP-UHFFFAOYSA-N 0 1 392.202 3.077 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)oc1C ZINC000175963048 565736965 /nfs/dbraw/zinc/73/69/65/565736965.db2.gz XGMPCXJOMUVQPK-UHFFFAOYSA-N 0 1 392.202 3.077 20 0 GGADMN Cc1cc(=O)n(C)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000175965699 565737055 /nfs/dbraw/zinc/73/70/55/565737055.db2.gz YSZGIOQPNJESEI-UHFFFAOYSA-N 0 1 381.668 3.455 20 0 GGADMN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)CCc1cnc[nH]1 ZINC000281571209 565737733 /nfs/dbraw/zinc/73/77/33/565737733.db2.gz LUJXTAWOHPULIW-QGZVFWFLSA-N 0 1 394.313 3.259 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)c3c(C)c(C)sc3Br)CCO2)n[nH]1 ZINC000281609730 565738892 /nfs/dbraw/zinc/73/88/92/565738892.db2.gz BBOOIXDESRBSFQ-JTQLQIEISA-N 0 1 399.314 3.022 20 0 GGADMN COC(=O)[C@@H](C)N(CCC(=O)Nc1ccccc1Br)C1CCC1 ZINC000411614958 565740008 /nfs/dbraw/zinc/74/00/08/565740008.db2.gz BBXZDSPCPOZSGT-GFCCVEGCSA-N 0 1 383.286 3.194 20 0 GGADMN CCCN(CCC(=O)Nc1ccccc1Br)[C@@H](C)C(=O)OCC ZINC000411646759 565742043 /nfs/dbraw/zinc/74/20/43/565742043.db2.gz KPXXIQOEHAJXLN-ZDUSSCGKSA-N 0 1 385.302 3.441 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cccc(Br)c1Cl ZINC000411645861 565742257 /nfs/dbraw/zinc/74/22/57/565742257.db2.gz PAYDGAGFYMUDTK-OLZOCXBDSA-N 0 1 395.750 3.053 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000281693742 565742348 /nfs/dbraw/zinc/74/23/48/565742348.db2.gz SCDSFKSVJRNFKS-AWEZNQCLSA-N 0 1 386.355 3.237 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1c(F)cccc1Br ZINC000176033687 565742361 /nfs/dbraw/zinc/74/23/61/565742361.db2.gz UTVBYVCVKFPLJK-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2F)nc1C ZINC000331179675 565744450 /nfs/dbraw/zinc/74/44/50/565744450.db2.gz GSKWGKJTCYBEFP-UHFFFAOYSA-N 0 1 376.251 3.222 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000193363825 565747174 /nfs/dbraw/zinc/74/71/74/565747174.db2.gz WMVVNZWCCVUVBR-AWEZNQCLSA-N 0 1 391.313 3.010 20 0 GGADMN Cc1nc([C@@H](C)N[C@H](C)c2ccc(Br)cc2OCCCO)n[nH]1 ZINC000411743705 565749026 /nfs/dbraw/zinc/74/90/26/565749026.db2.gz IXJDKBXIGZLNAR-GHMZBOCLSA-N 0 1 383.290 3.049 20 0 GGADMN CC(=O)c1ncc(C(=O)Nc2cccc(CN3CCSCC3)c2C)s1 ZINC000411750958 565749476 /nfs/dbraw/zinc/74/94/76/565749476.db2.gz BDMCLOKUBZKQBZ-UHFFFAOYSA-N 0 1 375.519 3.455 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N(C)c1ccccc1 ZINC000411763172 565750639 /nfs/dbraw/zinc/75/06/39/565750639.db2.gz UOXNXECPSLLNPH-CXAGYDPISA-N 0 1 377.282 3.124 20 0 GGADMN CO[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@@H](C)C1 ZINC000281830240 565751455 /nfs/dbraw/zinc/75/14/55/565751455.db2.gz RXKKIBOYSAHNIW-FZMZJTMJSA-N 0 1 378.270 3.479 20 0 GGADMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000193441844 565752097 /nfs/dbraw/zinc/75/20/97/565752097.db2.gz SFMNYVRHPNJDGB-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000331284284 565752115 /nfs/dbraw/zinc/75/21/15/565752115.db2.gz KUXDZNMLSXSUFU-TYNCELHUSA-N 0 1 380.286 3.480 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000176128499 565752303 /nfs/dbraw/zinc/75/23/03/565752303.db2.gz WKVPHRZRZBKJBH-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN COC(=O)c1cncc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000193447761 565752598 /nfs/dbraw/zinc/75/25/98/565752598.db2.gz YNJGCKXHRSJTMS-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000331295819 565752877 /nfs/dbraw/zinc/75/28/77/565752877.db2.gz SMNACOXTURTLIC-TYNCELHUSA-N 0 1 380.286 3.480 20 0 GGADMN Cc1c(Br)ccc(NS(=O)(=O)c2cn(C(C)C)cn2)c1F ZINC000193467593 565754079 /nfs/dbraw/zinc/75/40/79/565754079.db2.gz BCKQEWFIYMRBQE-UHFFFAOYSA-N 0 1 376.251 3.475 20 0 GGADMN O=C(Cc1cccc(Br)c1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176154685 565755087 /nfs/dbraw/zinc/75/50/87/565755087.db2.gz WMAMROSXRGAIEI-UHFFFAOYSA-N 0 1 376.229 3.366 20 0 GGADMN Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000331376458 565757284 /nfs/dbraw/zinc/75/72/84/565757284.db2.gz CDPLWFFCSPTNGR-RISCZKNCSA-N 0 1 378.270 3.442 20 0 GGADMN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Br)o1)c1nnc[nH]1 ZINC000176222450 565758085 /nfs/dbraw/zinc/75/80/85/565758085.db2.gz OGNTYQHZUSRYAA-SNVBAGLBSA-N 0 1 390.241 3.032 20 0 GGADMN C[C@@H](NC(=O)c1csc(-c2ccc(Br)s2)n1)c1nnc[nH]1 ZINC000176219190 565758407 /nfs/dbraw/zinc/75/84/07/565758407.db2.gz JQXADPAYVBJNHC-ZCFIWIBFSA-N 0 1 384.284 3.243 20 0 GGADMN Nc1c(Cl)cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1Cl ZINC000281970929 565758658 /nfs/dbraw/zinc/75/86/58/565758658.db2.gz LAIMSJFFSCWJAU-UHFFFAOYSA-N 0 1 398.212 3.106 20 0 GGADMN O=S1(=O)CCCN1C1CCN(Cc2ccc(-c3cccs3)cc2)CC1 ZINC000411837297 565758608 /nfs/dbraw/zinc/75/86/08/565758608.db2.gz XQYVUQJPLDGCQV-UHFFFAOYSA-N 0 1 376.547 3.415 20 0 GGADMN C[C@@H](CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cnn(C)c1 ZINC000411866582 565759613 /nfs/dbraw/zinc/75/96/13/565759613.db2.gz VUAADHFMIPZJMW-JTQLQIEISA-N 0 1 389.257 3.100 20 0 GGADMN CC[C@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000411884777 565760289 /nfs/dbraw/zinc/76/02/89/565760289.db2.gz GRFRPQOZCBINIY-INIZCTEOSA-N 0 1 380.897 3.423 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)C3(c4cncc(Br)c4)CC3)n2)o1 ZINC000282035336 565761627 /nfs/dbraw/zinc/76/16/27/565761627.db2.gz QJLMSZDVAYUDDW-UHFFFAOYSA-N 0 1 388.225 3.201 20 0 GGADMN COC(=O)[C@@H]1CN(C)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000411906538 565762277 /nfs/dbraw/zinc/76/22/77/565762277.db2.gz OBJLGLVHYFQOQG-CQSZACIVSA-N 0 1 379.913 3.000 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000331505723 565763142 /nfs/dbraw/zinc/76/31/42/565763142.db2.gz AUWDBQPQMOOJGZ-OEAJRASXSA-N 0 1 396.329 3.044 20 0 GGADMN NC(=O)[C@]1(c2ccccc2)CCN(Cc2c(F)cccc2Br)C1 ZINC000411968847 565763230 /nfs/dbraw/zinc/76/32/30/565763230.db2.gz PCPSVVNHJJBAIC-GOSISDBHSA-N 0 1 377.257 3.217 20 0 GGADMN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(F)cc(Br)c2)C1 ZINC000411970780 565763767 /nfs/dbraw/zinc/76/37/67/565763767.db2.gz SAOUYEXEGCPKQG-SFHVURJKSA-N 0 1 377.257 3.217 20 0 GGADMN OC[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)[C@H]1CCCOC1 ZINC000411990777 565764713 /nfs/dbraw/zinc/76/47/13/565764713.db2.gz INQASJRVQHXWOR-SUMWQHHRSA-N 0 1 382.913 3.253 20 0 GGADMN C[C@H](N[C@H](CO)[C@@H]1CCCOC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000411994541 565764786 /nfs/dbraw/zinc/76/47/86/565764786.db2.gz NSTUGYRHUGLNFZ-JVLSTEMRSA-N 0 1 386.279 3.482 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000176310942 565764871 /nfs/dbraw/zinc/76/48/71/565764871.db2.gz OGUOWZHSCICZFE-STQMWFEESA-N 0 1 386.612 3.406 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000176355467 565766951 /nfs/dbraw/zinc/76/69/51/565766951.db2.gz AANNUCITHAUJFJ-AWEZNQCLSA-N 0 1 399.538 3.404 20 0 GGADMN CNC(=O)[C@@H](C)CN(C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000176369381 565767022 /nfs/dbraw/zinc/76/70/22/565767022.db2.gz MYKFIKFTBGBAHK-NSHDSACASA-N 0 1 382.327 3.387 20 0 GGADMN NC(=O)[C@@H](N[C@@H]1CCCC12CCOCC2)c1ccc(Br)cc1F ZINC000282175280 565767994 /nfs/dbraw/zinc/76/79/94/565767994.db2.gz VIIPLDKFCOHSTG-CABCVRRESA-N 0 1 385.277 3.054 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1Br ZINC000331569084 565768085 /nfs/dbraw/zinc/76/80/85/565768085.db2.gz HEIYJLZOFFOBLI-AWEZNQCLSA-N 0 1 391.313 3.476 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1Br ZINC000331569110 565768131 /nfs/dbraw/zinc/76/81/31/565768131.db2.gz HEIYJLZOFFOBLI-CQSZACIVSA-N 0 1 391.313 3.476 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2ccc(-c3cnn(C)c3)s2)s1 ZINC000282165988 565768253 /nfs/dbraw/zinc/76/82/53/565768253.db2.gz DKMJUGBQNTVQMG-UHFFFAOYSA-N 0 1 381.548 3.294 20 0 GGADMN NC(=O)[C@@H](N[C@H]1CCCC12CCOCC2)c1ccc(Br)cc1F ZINC000282175283 565768344 /nfs/dbraw/zinc/76/83/44/565768344.db2.gz VIIPLDKFCOHSTG-GJZGRUSLSA-N 0 1 385.277 3.054 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000331561209 565768326 /nfs/dbraw/zinc/76/83/26/565768326.db2.gz JGMAYNGHOAUBHX-CYBMUJFWSA-N 0 1 394.269 3.272 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CNCCOCC(F)(F)C(F)F)s1 ZINC000282187535 565769639 /nfs/dbraw/zinc/76/96/39/565769639.db2.gz ZWHYMZFMBUGTTA-UHFFFAOYSA-N 0 1 387.399 3.497 20 0 GGADMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)CCc1cnc[nH]1 ZINC000193688687 565770226 /nfs/dbraw/zinc/77/02/26/565770226.db2.gz OTTNQMDFLNCINY-PXAZEXFGSA-N 0 1 378.270 3.093 20 0 GGADMN Cn1nc(-c2cccs2)nc1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000193725192 565772203 /nfs/dbraw/zinc/77/22/03/565772203.db2.gz MXFKIAGLIFMCQW-UHFFFAOYSA-N 0 1 386.861 3.278 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412156430 565773206 /nfs/dbraw/zinc/77/32/06/565773206.db2.gz PDJLAZJFKDRAMS-GRYCIOLGSA-N 0 1 387.265 3.194 20 0 GGADMN O=C1CCCc2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)ccc2N1 ZINC000193774852 565774954 /nfs/dbraw/zinc/77/49/54/565774954.db2.gz JBWDLNMNIWDLAX-UHFFFAOYSA-N 0 1 377.491 3.098 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)NCc1ccc(Cl)s1 ZINC000193783842 565776026 /nfs/dbraw/zinc/77/60/26/565776026.db2.gz YYTIWYMDLIMJJA-UHFFFAOYSA-N 0 1 399.925 3.187 20 0 GGADMN O=S(=O)(Nc1ncc(Br)cc1Br)c1cccs1 ZINC000193849063 565778706 /nfs/dbraw/zinc/77/87/06/565778706.db2.gz FNZACSBLSBOUPZ-UHFFFAOYSA-N 0 1 398.101 3.469 20 0 GGADMN C[C@H](NC(=O)N1CCOC[C@@H]1c1nnc[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000331719027 565779440 /nfs/dbraw/zinc/77/94/40/565779440.db2.gz IEZRHTLJERWDOD-GZMMTYOYSA-N 0 1 388.230 3.095 20 0 GGADMN CCc1cc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)n[nH]1 ZINC000331732080 565780849 /nfs/dbraw/zinc/78/08/49/565780849.db2.gz QKIVYFSUWWGNHP-HNNXBMFYSA-N 0 1 377.286 3.451 20 0 GGADMN O=C(NCC1(CCO)CCCCC1)c1cc(Br)cc2nc[nH]c21 ZINC000331744307 565781882 /nfs/dbraw/zinc/78/18/82/565781882.db2.gz YKTCOOUTPZNOKR-UHFFFAOYSA-N 0 1 380.286 3.388 20 0 GGADMN C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CCN1CC(C)(C)O ZINC000331766459 565782220 /nfs/dbraw/zinc/78/22/20/565782220.db2.gz AYWQSQHDQPSDJA-LBPRGKRZSA-N 0 1 381.929 3.314 20 0 GGADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331771445 565782866 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CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1Br ZINC000331802519 565784796 /nfs/dbraw/zinc/78/47/96/565784796.db2.gz JUJINNRFBDKIBH-BXKDBHETSA-N 0 1 384.299 3.398 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000331795206 565784891 /nfs/dbraw/zinc/78/48/91/565784891.db2.gz PAUGUXYZFQIUAQ-KGLIPLIRSA-N 0 1 383.587 3.190 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282592569 565786891 /nfs/dbraw/zinc/78/68/91/565786891.db2.gz YFNXJOVVSHMUMC-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN Cc1cccc(I)c1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331832118 565787087 /nfs/dbraw/zinc/78/70/87/565787087.db2.gz OBZDJPSYNJDNQU-GFCCVEGCSA-N 0 1 381.217 3.130 20 0 GGADMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282597416 565787348 /nfs/dbraw/zinc/78/73/48/565787348.db2.gz WCQVYEGVXMWTNY-RSPIHXBNSA-N 0 1 398.326 3.135 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282597413 565787405 /nfs/dbraw/zinc/78/74/05/565787405.db2.gz WCQVYEGVXMWTNY-MNDBLIDSSA-N 0 1 398.326 3.135 20 0 GGADMN CCc1nc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)sc1C ZINC000193977071 565787524 /nfs/dbraw/zinc/78/75/24/565787524.db2.gz TUKAWUXBCJLWFX-SNVBAGLBSA-N 0 1 379.507 3.112 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2C)n[nH]1 ZINC000331861816 565788691 /nfs/dbraw/zinc/78/86/91/565788691.db2.gz FPBWQKDSYLLXNK-AWEZNQCLSA-N 0 1 393.285 3.389 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1cc(Br)cn(C)c1=O)c1ccccc1 ZINC000176625269 565789792 /nfs/dbraw/zinc/78/97/92/565789792.db2.gz KGLWDVVSTMCZCL-MRXNPFEDSA-N 0 1 392.297 3.169 20 0 GGADMN COCCCn1nccc1CNCc1cc2cc(Br)ccc2[nH]1 ZINC000282651253 565790123 /nfs/dbraw/zinc/79/01/23/565790123.db2.gz LZSQEVXKUCNJOT-UHFFFAOYSA-N 0 1 377.286 3.453 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCCO[C@H](CF)C1 ZINC000412458673 565790706 /nfs/dbraw/zinc/79/07/06/565790706.db2.gz ZZVFAQDFVHYKSO-GFCCVEGCSA-N 0 1 382.233 3.040 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(Br)c(F)c3)C2=O)n(C)n1 ZINC000331896269 565790743 /nfs/dbraw/zinc/79/07/43/565790743.db2.gz GFMJYXIJOZJWNO-ABAIWWIYSA-N 0 1 395.276 3.086 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1cccs1 ZINC000194023576 565790919 /nfs/dbraw/zinc/79/09/19/565790919.db2.gz FPTFPLGXMRBRQS-HIFRSBDPSA-N 0 1 395.322 3.233 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(Br)c(F)c3)C2=O)n(C)n1 ZINC000331896272 565791005 /nfs/dbraw/zinc/79/10/05/565791005.db2.gz GFMJYXIJOZJWNO-NHYWBVRUSA-N 0 1 395.276 3.086 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000176655440 565791406 /nfs/dbraw/zinc/79/14/06/565791406.db2.gz IRSZHDIUDRAHLG-INIZCTEOSA-N 0 1 388.339 3.004 20 0 GGADMN COc1cc(OC)c(S(=O)(=O)Nc2cccc(F)c2)cc1Br ZINC000176671328 565792681 /nfs/dbraw/zinc/79/26/81/565792681.db2.gz LTOMPLSHIGAQPU-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000176674738 565792877 /nfs/dbraw/zinc/79/28/77/565792877.db2.gz ZBPISDVPVIXZGW-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN Cc1cc(F)cc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000176680794 565793737 /nfs/dbraw/zinc/79/37/37/565793737.db2.gz ABZQBKNSNNIYLV-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3cc(Br)cs3)C2=O)n(C)n1 ZINC000194107774 565795041 /nfs/dbraw/zinc/79/50/41/565795041.db2.gz ZYQSXIFSLITGOL-ZYHUDNBSSA-N 0 1 383.315 3.009 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3cc(Br)cs3)C2=O)n(C)n1 ZINC000194107753 565795075 /nfs/dbraw/zinc/79/50/75/565795075.db2.gz ZYQSXIFSLITGOL-CMPLNLGQSA-N 0 1 383.315 3.009 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc(Cl)cc2Cl)CC(=O)N1C ZINC000331950744 565795307 /nfs/dbraw/zinc/79/53/07/565795307.db2.gz GNILUCDTTLTQAT-CRAIPNDOSA-N 0 1 381.307 3.405 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000331967731 565795830 /nfs/dbraw/zinc/79/58/30/565795830.db2.gz QMNNCKOCXQSQPJ-LLVKDONJSA-N 0 1 375.372 3.050 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cc(Cl)cc(Cl)c2)CC(=O)N1C ZINC000331970183 565796148 /nfs/dbraw/zinc/79/61/48/565796148.db2.gz JGHZTKQTPYUVMA-CRAIPNDOSA-N 0 1 381.307 3.405 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cc(F)ccc2Br)C1 ZINC000176712896 565797185 /nfs/dbraw/zinc/79/71/85/565797185.db2.gz AXVAKMPPBHCCQF-ZDUSSCGKSA-N 0 1 388.281 3.067 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176721641 565797657 /nfs/dbraw/zinc/79/76/57/565797657.db2.gz JYYYIIYOVQJJQN-QMMMGPOBSA-N 0 1 379.189 3.266 20 0 GGADMN CC1(C)CC[C@H](CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)O1 ZINC000332001273 565797942 /nfs/dbraw/zinc/79/79/42/565797942.db2.gz WENVTQKSZCOFRD-OCCSQVGLSA-N 0 1 388.327 3.215 20 0 GGADMN O=C(NCc1ccc(F)cc1Br)c1n[nH]nc1-c1ccccc1 ZINC000194171582 565798047 /nfs/dbraw/zinc/79/80/47/565798047.db2.gz ISQIGZAKCJXCSA-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN CC1(C)CC[C@H](CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)O1 ZINC000332001277 565798785 /nfs/dbraw/zinc/79/87/85/565798785.db2.gz WENVTQKSZCOFRD-TZMCWYRMSA-N 0 1 388.327 3.215 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CS[C@@H](C)C2)cc1 ZINC000412612791 565799115 /nfs/dbraw/zinc/79/91/15/565799115.db2.gz VSCCOLGUFRLMFZ-GXTWGEPZSA-N 0 1 396.559 3.481 20 0 GGADMN C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1nnc[nH]1 ZINC000176739627 565799405 /nfs/dbraw/zinc/79/94/05/565799405.db2.gz ICOTZKJMXBQFRX-JTQLQIEISA-N 0 1 391.225 3.230 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1n[nH]nc1-c1ccccc1 ZINC000194175341 565799478 /nfs/dbraw/zinc/79/94/78/565799478.db2.gz CNFZTNWUMUXDLK-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN CCc1nc(C[S@@](=O)Cc2coc(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000194182917 565799566 /nfs/dbraw/zinc/79/95/66/565799566.db2.gz IWZVUICPWAMEKY-QHCPKHFHSA-N 0 1 395.282 3.234 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2CS[C@@H](C)C2)cc1 ZINC000412612792 565799821 /nfs/dbraw/zinc/79/98/21/565799821.db2.gz VSCCOLGUFRLMFZ-JSGCOSHPSA-N 0 1 396.559 3.481 20 0 GGADMN CCc1nc(C[S@](=O)Cc2cc(Br)ccc2OC(F)F)n[nH]1 ZINC000194183402 565799867 /nfs/dbraw/zinc/79/98/67/565799867.db2.gz ZIVYEFSMLZDDHN-JOCHJYFZSA-N 0 1 394.241 3.180 20 0 GGADMN C[C@@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1nnc[nH]1 ZINC000176750102 565800816 /nfs/dbraw/zinc/80/08/16/565800816.db2.gz NLTWIZMPPWIHOE-SNVBAGLBSA-N 0 1 388.225 3.246 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cnc([C@H](C)O)s1 ZINC000282905427 565802736 /nfs/dbraw/zinc/80/27/36/565802736.db2.gz BEFJKRZDODBVFH-ZDUSSCGKSA-N 0 1 377.535 3.306 20 0 GGADMN O=C(NCCNc1cccc(Br)c1)c1n[nH]nc1-c1ccccc1 ZINC000194227105 565802884 /nfs/dbraw/zinc/80/28/84/565802884.db2.gz NPEIKKYURSJXRP-UHFFFAOYSA-N 0 1 386.253 3.076 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cnc([C@@H](C)O)s1 ZINC000282905425 565803348 /nfs/dbraw/zinc/80/33/48/565803348.db2.gz BEFJKRZDODBVFH-CYBMUJFWSA-N 0 1 377.535 3.306 20 0 GGADMN O=C(NCCNCc1nc(-c2ccccc2)c[nH]1)c1ccc(Br)cc1 ZINC000194253710 565803550 /nfs/dbraw/zinc/80/35/50/565803550.db2.gz FTOBPFNFTRLSGA-UHFFFAOYSA-N 0 1 399.292 3.359 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000176794495 565803818 /nfs/dbraw/zinc/80/38/18/565803818.db2.gz DLESVAZARUAQGE-UHFFFAOYSA-N 0 1 376.906 3.293 20 0 GGADMN COc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(Br)c1 ZINC000332076891 565804415 /nfs/dbraw/zinc/80/44/15/565804415.db2.gz ZKJZMARKWZDHND-CYBMUJFWSA-N 0 1 380.246 3.335 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccccc1OC(F)F ZINC000176795479 565804405 /nfs/dbraw/zinc/80/44/05/565804405.db2.gz AQEKMGULEPMMEI-UHFFFAOYSA-N 0 1 390.477 3.102 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1 ZINC000176807889 565805151 /nfs/dbraw/zinc/80/51/51/565805151.db2.gz FRCRDFGPBFKYSX-OCCSQVGLSA-N 0 1 376.913 3.245 20 0 GGADMN Cc1n[nH]c(C(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)c1C ZINC000332092349 565805430 /nfs/dbraw/zinc/80/54/30/565805430.db2.gz CHLGPNCYBQMRKI-JTQLQIEISA-N 0 1 380.242 3.051 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332110467 565806122 /nfs/dbraw/zinc/80/61/22/565806122.db2.gz ARXRBUJNPLYQFU-NXEZZACHSA-N 0 1 386.235 3.256 20 0 GGADMN CCc1nc(C[S@](=O)Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000194293564 565806887 /nfs/dbraw/zinc/80/68/87/565806887.db2.gz OLTDBCGABFKJLI-RUZDIDTESA-N 0 1 375.885 3.235 20 0 GGADMN O=C(CCCCOc1ccc(Br)cc1)NC1(c2nnc[nH]2)CCC1 ZINC000194293678 565807078 /nfs/dbraw/zinc/80/70/78/565807078.db2.gz VILYAPIQGCJYLS-UHFFFAOYSA-N 0 1 393.285 3.312 20 0 GGADMN O=C(CCc1cc(Cl)ccc1Br)NC1(c2nnc[nH]2)CCC1 ZINC000194293972 565807415 /nfs/dbraw/zinc/80/74/15/565807415.db2.gz MEKVWCWSLQMCTO-UHFFFAOYSA-N 0 1 383.677 3.349 20 0 GGADMN CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000332133422 565808518 /nfs/dbraw/zinc/80/85/18/565808518.db2.gz KMLSUMYBBFXHGH-LRDDRELGSA-N 0 1 378.270 3.072 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N(CCN(C)C)Cc2cccc(Cl)c2)s1 ZINC000176847277 565808469 /nfs/dbraw/zinc/80/84/69/565808469.db2.gz YFXHJBDSVORXEH-UHFFFAOYSA-N 0 1 387.958 3.166 20 0 GGADMN Cn1cc(-c2csc(NC(=O)c3ccc(Br)cc3O)n2)cn1 ZINC000176870123 565810767 /nfs/dbraw/zinc/81/07/67/565810767.db2.gz JEDHFIHWZFIBBI-UHFFFAOYSA-N 0 1 379.239 3.264 20 0 GGADMN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332154665 565811034 /nfs/dbraw/zinc/81/10/34/565811034.db2.gz NPQLAIFXCJZGMI-UWVGGRQHSA-N 0 1 386.235 3.256 20 0 GGADMN CC[C@@H]1[C@H](CO)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000332162259 565812201 /nfs/dbraw/zinc/81/22/01/565812201.db2.gz QXCDXJCKBYCHOP-QWHCGFSZSA-N 0 1 378.270 3.072 20 0 GGADMN CN(C)C(=O)[C@H](NCCOc1cccc(Br)c1)c1ccccc1 ZINC000194407210 565813100 /nfs/dbraw/zinc/81/31/00/565813100.db2.gz BIPLOWLKDSLEFN-QGZVFWFLSA-N 0 1 377.282 3.247 20 0 GGADMN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176917782 565813429 /nfs/dbraw/zinc/81/34/29/565813429.db2.gz AZMKUOFRMCHTRK-GFCCVEGCSA-N 0 1 378.270 3.312 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332180814 565813628 /nfs/dbraw/zinc/81/36/28/565813628.db2.gz RWJMLYHFHBLLMM-AAEUAGOBSA-N 0 1 394.269 3.123 20 0 GGADMN C=Cn1cc(CN[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000194419232 565813594 /nfs/dbraw/zinc/81/35/94/565813594.db2.gz LJAWRXRRUYVONW-QGZVFWFLSA-N 0 1 389.297 3.340 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2ccc(I)cc2)c1 ZINC000176916489 565813764 /nfs/dbraw/zinc/81/37/64/565813764.db2.gz FJGKHFJWPRVGAI-UHFFFAOYSA-N 0 1 381.217 3.000 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@@H]1C ZINC000332194298 565814552 /nfs/dbraw/zinc/81/45/52/565814552.db2.gz DFDXSCFTYKOURM-RYUDHWBXSA-N 0 1 392.297 3.258 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C[C@H]1C ZINC000332194296 565814755 /nfs/dbraw/zinc/81/47/55/565814755.db2.gz DFDXSCFTYKOURM-NEPJUHHUSA-N 0 1 392.297 3.258 20 0 GGADMN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1ccccc1Br ZINC000194431010 565814914 /nfs/dbraw/zinc/81/49/14/565814914.db2.gz RTVXDFZSYZRSGH-UHFFFAOYSA-N 0 1 378.251 3.436 20 0 GGADMN O=S(=O)([N-]C1CC[NH+](C2CCCC2)CC1)c1sccc1Br ZINC000176936672 565815975 /nfs/dbraw/zinc/81/59/75/565815975.db2.gz OISLRNBEAFAPBO-UHFFFAOYSA-N 0 1 393.372 3.196 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](c2ccnn2C)C1 ZINC000332209862 565816089 /nfs/dbraw/zinc/81/60/89/565816089.db2.gz XTVGXTVPJYXBBN-KBPBESRZSA-N 0 1 391.313 3.389 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](c2ccnn2C)C1 ZINC000332209864 565816304 /nfs/dbraw/zinc/81/63/04/565816304.db2.gz XTVGXTVPJYXBBN-KGLIPLIRSA-N 0 1 391.313 3.389 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)s1 ZINC000176937149 565816604 /nfs/dbraw/zinc/81/66/04/565816604.db2.gz OZUNUIXIELRELO-ZFWWWQNUSA-N 0 1 385.580 3.183 20 0 GGADMN C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332217054 565816924 /nfs/dbraw/zinc/81/69/24/565816924.db2.gz UTARPDKMDVTDSE-WCQYABFASA-N 0 1 394.269 3.438 20 0 GGADMN COC[C@H](NS(=O)(=O)c1cc(C)c(Br)s1)c1ccco1 ZINC000176967147 565819128 /nfs/dbraw/zinc/81/91/28/565819128.db2.gz MBPVFLXHFKIASP-VIFPVBQESA-N 0 1 380.285 3.078 20 0 GGADMN CS(=O)(=O)CC1(CNC(=O)c2cc(Cl)c3ccccc3c2O)CCC1 ZINC000412885678 565819569 /nfs/dbraw/zinc/81/95/69/565819569.db2.gz WDDZFWAYGHNGFO-UHFFFAOYSA-N 0 1 381.881 3.144 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332250645 565821454 /nfs/dbraw/zinc/82/14/54/565821454.db2.gz CEYXRJJNNCDYGD-DGCLKSJQSA-N 0 1 377.286 3.212 20 0 GGADMN Cc1nc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(Br)s1 ZINC000332247723 565821622 /nfs/dbraw/zinc/82/16/22/565821622.db2.gz BNOXYZRSGYKXGL-UHFFFAOYSA-N 0 1 395.326 3.003 20 0 GGADMN CNC(=O)c1ccn([C@H]2CCCN([C@@H](C)c3ccccc3Br)C2)n1 ZINC000332279856 565824219 /nfs/dbraw/zinc/82/42/19/565824219.db2.gz DQZOPTDWINBLEP-KBPBESRZSA-N 0 1 391.313 3.403 20 0 GGADMN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000194596277 565825560 /nfs/dbraw/zinc/82/55/60/565825560.db2.gz XKDAAHFHOUBRAA-UHFFFAOYSA-N 0 1 384.251 3.427 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCOc2ccc(Br)cc2C1 ZINC000283690845 565826013 /nfs/dbraw/zinc/82/60/13/565826013.db2.gz RBGUZYNHBRGJTE-CQSZACIVSA-N 0 1 391.269 3.154 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN([C@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000332297315 565826646 /nfs/dbraw/zinc/82/66/46/565826646.db2.gz KESLBRIGASWZTL-JSGCOSHPSA-N 0 1 378.274 3.332 20 0 GGADMN Cc1nnc([C@H]2CCCN([C@H](C(N)=O)c3ccc(Br)cc3)C2)[nH]1 ZINC000332297315 565826652 /nfs/dbraw/zinc/82/66/52/565826652.db2.gz KESLBRIGASWZTL-JSGCOSHPSA-N 0 1 378.274 3.332 20 0 GGADMN Brc1ccccc1-c1nnc(SCCN2CCCOCC2)o1 ZINC000412980094 565827326 /nfs/dbraw/zinc/82/73/26/565827326.db2.gz BVGNSMYNIKMNMR-UHFFFAOYSA-N 0 1 384.299 3.314 20 0 GGADMN CCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)c1n[nH]c(C)n1 ZINC000412985151 565828501 /nfs/dbraw/zinc/82/85/01/565828501.db2.gz SEQOEOAORVVYBK-MRVPVSSYSA-N 0 1 394.298 3.459 20 0 GGADMN O=C(c1ccc(Br)cc1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332337270 565830210 /nfs/dbraw/zinc/83/02/10/565830210.db2.gz QEQZKBNINOUNCC-QMMMGPOBSA-N 0 1 386.633 3.211 20 0 GGADMN COCC(C)(C)c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000283800030 565830253 /nfs/dbraw/zinc/83/02/53/565830253.db2.gz HSJODXGKWOQDMR-UHFFFAOYSA-N 0 1 378.230 3.208 20 0 GGADMN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)CCC(F)(F)F ZINC000283794168 565830596 /nfs/dbraw/zinc/83/05/96/565830596.db2.gz AAARKKWYIIAUJI-HNNXBMFYSA-N 0 1 378.460 3.159 20 0 GGADMN Cc1c(Br)ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1F ZINC000332346414 565830932 /nfs/dbraw/zinc/83/09/32/565830932.db2.gz RTHXRULRESTTAS-VIFPVBQESA-N 0 1 384.205 3.005 20 0 GGADMN CN(CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)Cc1nnc[nH]1 ZINC000177153272 565832007 /nfs/dbraw/zinc/83/20/07/565832007.db2.gz OMJCWPOYOHSFPQ-UHFFFAOYSA-N 0 1 397.291 3.306 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1Cc2ccccc2O1 ZINC000194706709 565832178 /nfs/dbraw/zinc/83/21/78/565832178.db2.gz NGSASJYPAGJBGO-AWEZNQCLSA-N 0 1 385.221 3.176 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)C[C@H](C)N1C ZINC000332374229 565832888 /nfs/dbraw/zinc/83/28/88/565832888.db2.gz ZPWWWNCNIYZGPS-TXEJJXNPSA-N 0 1 379.302 3.164 20 0 GGADMN C[C@@H](c1cccc(Br)c1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332380666 565833343 /nfs/dbraw/zinc/83/33/43/565833343.db2.gz YPVKXISAJGMOLI-AAEUAGOBSA-N 0 1 377.286 3.212 20 0 GGADMN COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc1Cl ZINC000332379866 565833686 /nfs/dbraw/zinc/83/36/86/565833686.db2.gz YPNMOKUFCYEUIJ-CYBMUJFWSA-N 0 1 383.901 3.257 20 0 GGADMN CCOc1ccc(Br)cc1CN(C(=O)CCc1nc[nH]n1)C1CC1 ZINC000177197527 565834459 /nfs/dbraw/zinc/83/44/59/565834459.db2.gz LDRXVRQLCBVRTE-UHFFFAOYSA-N 0 1 393.285 3.090 20 0 GGADMN C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1nnc[nH]1 ZINC000177187759 565834537 /nfs/dbraw/zinc/83/45/37/565834537.db2.gz PZZVPLXBTISKLX-MRVPVSSYSA-N 0 1 382.207 3.170 20 0 GGADMN Cc1cc(N2CCC[C@H](NC(=O)c3c(O)cc(Cl)cc3Cl)C2)n(C)n1 ZINC000332385972 565834568 /nfs/dbraw/zinc/83/45/68/565834568.db2.gz BVCBPUDHOCGQQZ-LBPRGKRZSA-N 0 1 383.279 3.140 20 0 GGADMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332401439 565834781 /nfs/dbraw/zinc/83/47/81/565834781.db2.gz NKIACBNQWSEIKY-LLVKDONJSA-N 0 1 394.269 3.222 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCN(c3cccc(C)c3)CC2)c1Br ZINC000332418168 565835787 /nfs/dbraw/zinc/83/57/87/565835787.db2.gz OKRKKLKXMBKFEC-UHFFFAOYSA-N 0 1 377.286 3.005 20 0 GGADMN COC(=O)Cc1cccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000194772437 565836214 /nfs/dbraw/zinc/83/62/14/565836214.db2.gz TXYIPRDOZYELCZ-UHFFFAOYSA-N 0 1 389.260 3.046 20 0 GGADMN CN(C[C@H]1CCCS(=O)(=O)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000283939601 565836211 /nfs/dbraw/zinc/83/62/11/565836211.db2.gz DBAMHJIOEKXWSA-CQSZACIVSA-N 0 1 386.355 3.237 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332435711 565836800 /nfs/dbraw/zinc/83/68/00/565836800.db2.gz HAGLLRHSIDNAAJ-CRAIPNDOSA-N 0 1 394.313 3.210 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332431827 565837157 /nfs/dbraw/zinc/83/71/57/565837157.db2.gz ZLLOBJZGWYGCAL-JQWIXIFHSA-N 0 1 380.242 3.047 20 0 GGADMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1cccc(Br)c1 ZINC000332447941 565838010 /nfs/dbraw/zinc/83/80/10/565838010.db2.gz SQYDLXJKVUFQGY-LLVKDONJSA-N 0 1 394.269 3.222 20 0 GGADMN COc1cc(C)c(S(=O)(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1Cl ZINC000332456776 565838178 /nfs/dbraw/zinc/83/81/78/565838178.db2.gz OMCNSUIRFBKHSA-UHFFFAOYSA-N 0 1 383.901 3.257 20 0 GGADMN COc1cc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc(Br)c1OC ZINC000332473126 565839075 /nfs/dbraw/zinc/83/90/75/565839075.db2.gz VTXXDQCPOJDSFD-UHFFFAOYSA-N 0 1 394.269 3.209 20 0 GGADMN Cc1nc(CN2CCN(C(=O)Nc3cc(Cl)c(C)cc3Cl)CC2)n[nH]1 ZINC000332475823 565839132 /nfs/dbraw/zinc/83/91/32/565839132.db2.gz PBDGGXJJAAREKN-UHFFFAOYSA-N 0 1 383.283 3.078 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000332485154 565840564 /nfs/dbraw/zinc/84/05/64/565840564.db2.gz ZKOUYPAJILUBQM-HZMBPMFUSA-N 0 1 383.279 3.378 20 0 GGADMN C[C@@H](CC(F)F)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000413255585 565841753 /nfs/dbraw/zinc/84/17/53/565841753.db2.gz JLTGKASVGHDGQZ-NSHDSACASA-N 0 1 390.272 3.431 20 0 GGADMN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332524490 565841795 /nfs/dbraw/zinc/84/17/95/565841795.db2.gz RFXCSTMTQURLCT-NXEZZACHSA-N 0 1 392.253 3.067 20 0 GGADMN CC[C@@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cc(F)cc(Br)c1 ZINC000332556394 565843952 /nfs/dbraw/zinc/84/39/52/565843952.db2.gz NJVOFEYELCUHQC-TVQRCGJNSA-N 0 1 381.249 3.079 20 0 GGADMN CC[C@@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000332556394 565843953 /nfs/dbraw/zinc/84/39/53/565843953.db2.gz NJVOFEYELCUHQC-TVQRCGJNSA-N 0 1 381.249 3.079 20 0 GGADMN CC(C)[C@](C)(NC(=O)[C@H]1CCc2[nH]nnc2C1)c1ccc(Br)cc1 ZINC000332564415 565844032 /nfs/dbraw/zinc/84/40/32/565844032.db2.gz AJFZBCQNRSMKGJ-SGTLLEGYSA-N 0 1 391.313 3.360 20 0 GGADMN CC(C)[C@](C)(NC(=O)[C@H]1CCc2nn[nH]c2C1)c1ccc(Br)cc1 ZINC000332564415 565844033 /nfs/dbraw/zinc/84/40/33/565844033.db2.gz AJFZBCQNRSMKGJ-SGTLLEGYSA-N 0 1 391.313 3.360 20 0 GGADMN Cc1c(Cl)c(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)nc2ccccc12 ZINC000332575017 565845331 /nfs/dbraw/zinc/84/53/31/565845331.db2.gz CFEUAYSZGMKVPX-HOTGVXAUSA-N 0 1 381.929 3.147 20 0 GGADMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3O)cc2F)c1 ZINC000177374650 565846367 /nfs/dbraw/zinc/84/63/67/565846367.db2.gz QACKQEHGRWYTCA-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000194898942 565847163 /nfs/dbraw/zinc/84/71/63/565847163.db2.gz GXSVQCQFTHWJJX-MRXNPFEDSA-N 0 1 376.254 3.263 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000194898932 565847173 /nfs/dbraw/zinc/84/71/73/565847173.db2.gz GXSVQCQFTHWJJX-INIZCTEOSA-N 0 1 376.254 3.263 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2cnc(OC)c(Cl)c2)c1 ZINC000284319240 565848768 /nfs/dbraw/zinc/84/87/68/565848768.db2.gz LRUNKCZUFIGGKS-RYUDHWBXSA-N 0 1 383.901 3.064 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194940533 565849033 /nfs/dbraw/zinc/84/90/33/565849033.db2.gz NVBQMLWFDLINDK-LBPRGKRZSA-N 0 1 395.301 3.286 20 0 GGADMN O=C1[C@H](Nc2ccc3cc(Br)c(F)cc3n2)C[C@H]2CCCCN12 ZINC000413381348 565849395 /nfs/dbraw/zinc/84/93/95/565849395.db2.gz OBNXYWHNWHNXJT-IAQYHMDHSA-N 0 1 378.245 3.124 20 0 GGADMN O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000177439800 565851469 /nfs/dbraw/zinc/85/14/69/565851469.db2.gz SPAZQUZKZPEVLK-UHFFFAOYSA-N 0 1 386.323 3.042 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Br)cc2nc[nH]c21 ZINC000332681065 565852277 /nfs/dbraw/zinc/85/22/77/565852277.db2.gz IAJBIVPFAVUQJX-KMUNFCNLSA-N 0 1 376.254 3.013 20 0 GGADMN COc1ccc2c(c1)[nH]nc2NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000195001896 565853656 /nfs/dbraw/zinc/85/36/56/565853656.db2.gz BGOFNWQTYXAVOF-UHFFFAOYSA-N 0 1 396.266 3.276 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)c2ccc(Br)s2)C1 ZINC000284475789 565854509 /nfs/dbraw/zinc/85/45/09/565854509.db2.gz ALOIGYMUBWLNMI-IEBDPFPHSA-N 0 1 399.314 3.029 20 0 GGADMN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000332782953 565856256 /nfs/dbraw/zinc/85/62/56/565856256.db2.gz CWTAOMHAOBXSSG-QLJPJBMISA-N 0 1 393.260 3.079 20 0 GGADMN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000332782953 565856262 /nfs/dbraw/zinc/85/62/62/565856262.db2.gz CWTAOMHAOBXSSG-QLJPJBMISA-N 0 1 393.260 3.079 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000177505911 565856365 /nfs/dbraw/zinc/85/63/65/565856365.db2.gz MOCHHNOOQMXNND-WDEREUQCSA-N 0 1 379.810 3.278 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(F)cc1)Oc1ccccc1Br ZINC000177545501 565858310 /nfs/dbraw/zinc/85/83/10/565858310.db2.gz VDUBSXQFFQYWGZ-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CCN1CC(C)(C)O ZINC000332987290 565860222 /nfs/dbraw/zinc/86/02/22/565860222.db2.gz FPTNCNRYGNZYST-GXTWGEPZSA-N 0 1 385.961 3.266 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CCN1CC(C)(C)O ZINC000332987291 565860260 /nfs/dbraw/zinc/86/02/60/565860260.db2.gz FPTNCNRYGNZYST-JSGCOSHPSA-N 0 1 385.961 3.266 20 0 GGADMN O[C@H](COc1ccc(Br)cc1)CN(Cc1ccccn1)C1CC1 ZINC000195132108 565860627 /nfs/dbraw/zinc/86/06/27/565860627.db2.gz PKBHKXKNIBYRHZ-KRWDZBQOSA-N 0 1 377.282 3.248 20 0 GGADMN CC(C)(CNC(=O)NCc1nc2cccc(Br)c2[nH]1)OCC1CC1 ZINC000413597859 565861852 /nfs/dbraw/zinc/86/18/52/565861852.db2.gz BIIRIYABIMRGIA-UHFFFAOYSA-N 0 1 395.301 3.330 20 0 GGADMN CO[C@](C)([C@@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000413604648 565862407 /nfs/dbraw/zinc/86/24/07/565862407.db2.gz NAQFSYQXJCFZHY-BMLIUANNSA-N 0 1 395.301 3.328 20 0 GGADMN O=S(=O)(Cc1ncc(Cl)cc1Cl)c1n[nH]c(Cc2cccs2)n1 ZINC000195159527 565862488 /nfs/dbraw/zinc/86/24/88/565862488.db2.gz HAOFARBSLXMKLE-UHFFFAOYSA-N 0 1 389.289 3.133 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]2C1 ZINC000333093610 565864579 /nfs/dbraw/zinc/86/45/79/565864579.db2.gz CUDWSRDPRLTQMY-GZBFAFLISA-N 0 1 378.270 3.092 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@H]2C1 ZINC000333078893 565865056 /nfs/dbraw/zinc/86/50/56/565865056.db2.gz AKYVOBWNMHMJJG-YNEHKIRRSA-N 0 1 378.270 3.092 20 0 GGADMN O=S(=O)(C[C@@H]1CCOC1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333095603 565865614 /nfs/dbraw/zinc/86/56/14/565865614.db2.gz BRGLRZFXUANSEQ-WBMJQRKESA-N 0 1 383.901 3.110 20 0 GGADMN O=S(=O)(N1CCCCC1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333110634 565865842 /nfs/dbraw/zinc/86/58/42/565865842.db2.gz DYVJBIASZZXQAM-MRXNPFEDSA-N 0 1 382.917 3.474 20 0 GGADMN COCC[C@H](NCC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000284680372 565865969 /nfs/dbraw/zinc/86/59/69/565865969.db2.gz HJZVJGWXRZYSMQ-KRWDZBQOSA-N 0 1 382.291 3.372 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2S(=O)(=O)C[C@H]2CCCC2(F)F)n[nH]1 ZINC000333106052 565866123 /nfs/dbraw/zinc/86/61/23/565866123.db2.gz RBQYYFVEQSEDHV-OLZOCXBDSA-N 0 1 376.473 3.220 20 0 GGADMN O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000333132127 565867618 /nfs/dbraw/zinc/86/76/18/565867618.db2.gz XDHFHAIZBMXHNH-LLVKDONJSA-N 0 1 378.270 3.405 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2cc(Cl)cc(Br)c2)n[nH]1 ZINC000413697602 565868238 /nfs/dbraw/zinc/86/82/38/565868238.db2.gz GXYKJTSSTJZRJO-QMMMGPOBSA-N 0 1 386.681 3.343 20 0 GGADMN O=S(=O)(CCNCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1 ZINC000195249827 565870000 /nfs/dbraw/zinc/87/00/00/565870000.db2.gz PWOCHZFPLXSCAF-UHFFFAOYSA-N 0 1 375.881 3.089 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000195262343 565870824 /nfs/dbraw/zinc/87/08/24/565870824.db2.gz GCLLWRHLGGQWLM-HKUYNNGSSA-N 0 1 389.293 3.223 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CS[C@@H](C)C2)CC1 ZINC000413729943 565870953 /nfs/dbraw/zinc/87/09/53/565870953.db2.gz UXPTZJBGWWLLQN-ZFWWWQNUSA-N 0 1 382.961 3.497 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CS[C@@H](C)C2)CC1 ZINC000413729937 565871031 /nfs/dbraw/zinc/87/10/31/565871031.db2.gz UXPTZJBGWWLLQN-DZGCQCFKSA-N 0 1 382.961 3.497 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000284800786 565871432 /nfs/dbraw/zinc/87/14/32/565871432.db2.gz PKKYCKVMHFLBJP-CYBMUJFWSA-N 0 1 380.897 3.423 20 0 GGADMN O=S1(=O)CCC[C@@H](CN2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000284804621 565871876 /nfs/dbraw/zinc/87/18/76/565871876.db2.gz OWTYJVXGOXKPKY-AWEZNQCLSA-N 0 1 386.355 3.453 20 0 GGADMN C[C@H]1C[C@@H](NCCS(=O)(=O)NCc2ccccc2)c2ccsc2S1 ZINC000177769923 565872581 /nfs/dbraw/zinc/87/25/81/565872581.db2.gz ZWVXMRBLXMLKPE-XJKSGUPXSA-N 0 1 382.576 3.383 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2Br)C1 ZINC000177766112 565873017 /nfs/dbraw/zinc/87/30/17/565873017.db2.gz MKPHPPDYTQRILW-ZDUSSCGKSA-N 0 1 389.721 3.189 20 0 GGADMN Cc1nc(C(C)C)sc1[C@H](C)NCCS(=O)(=O)NCc1ccccc1 ZINC000177769029 565873227 /nfs/dbraw/zinc/87/32/27/565873227.db2.gz QVCDQEUZRUNPCT-AWEZNQCLSA-N 0 1 381.567 3.345 20 0 GGADMN O=C(CCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1cc(Cl)ccc1Cl ZINC000284888712 565875217 /nfs/dbraw/zinc/87/52/17/565875217.db2.gz SJCVKJNDFCHNHR-XYPHTWIQSA-N 0 1 387.307 3.184 20 0 GGADMN O=S(=O)(Nc1ccc(OCCCO)cc1)c1ccccc1C(F)(F)F ZINC000284912545 565876699 /nfs/dbraw/zinc/87/66/99/565876699.db2.gz AACMWIRZNIYPFJ-UHFFFAOYSA-N 0 1 375.368 3.267 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1C(=O)N(C)C(C)C ZINC000195343799 565877246 /nfs/dbraw/zinc/87/72/46/565877246.db2.gz GQURZSQERVPSTJ-UHFFFAOYSA-N 0 1 381.885 3.325 20 0 GGADMN O=C(N[C@H]1CCc2c1ccc(F)c2Br)N[C@H]1CCc2nc[nH]c2C1 ZINC000333311669 565877274 /nfs/dbraw/zinc/87/72/74/565877274.db2.gz DYUVKYXWFYGOJZ-ZANVPECISA-N 0 1 393.260 3.155 20 0 GGADMN O=C(N[C@H]1CCc2c1ccc(F)c2Br)N[C@@H]1CCc2nc[nH]c2C1 ZINC000333311665 565877435 /nfs/dbraw/zinc/87/74/35/565877435.db2.gz DYUVKYXWFYGOJZ-RNCFNFMXSA-N 0 1 393.260 3.155 20 0 GGADMN O=C(Nc1ccc(Br)nc1)NC1CCN(Cc2ccncc2)CC1 ZINC000177875207 565878781 /nfs/dbraw/zinc/87/87/81/565878781.db2.gz KFEKIZRURIBEHN-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN C[C@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000333367369 565879373 /nfs/dbraw/zinc/87/93/73/565879373.db2.gz YSNCFZFFFRDOOQ-UONOGXRCSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000333367370 565879701 /nfs/dbraw/zinc/87/97/01/565879701.db2.gz YSNCFZFFFRDOOQ-ZIAGYGMSSA-N 0 1 390.307 3.003 20 0 GGADMN O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@H](c2nc[nH]n2)C1 ZINC000333369428 565879741 /nfs/dbraw/zinc/87/97/41/565879741.db2.gz IRUOZSZGZOAFMW-LBPRGKRZSA-N 0 1 376.258 3.077 20 0 GGADMN C[C@@H](N[C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1nccs1 ZINC000284962830 565880034 /nfs/dbraw/zinc/88/00/34/565880034.db2.gz XIWSLLZGVBLHLB-RNCFNFMXSA-N 0 1 381.299 3.369 20 0 GGADMN C[C@@H](N[C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1nccs1 ZINC000284962826 565880358 /nfs/dbraw/zinc/88/03/58/565880358.db2.gz XIWSLLZGVBLHLB-NOZJJQNGSA-N 0 1 381.299 3.369 20 0 GGADMN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000333406420 565880778 /nfs/dbraw/zinc/88/07/78/565880778.db2.gz CKMSNBHAFQPANF-MEDUHNTESA-N 0 1 377.897 3.395 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccccc2Cl)n(-c2cc(C)nc(C)n2)n1 ZINC000177931649 565882334 /nfs/dbraw/zinc/88/23/34/565882334.db2.gz LOCPSZJZBFRALH-UHFFFAOYSA-N 0 1 377.857 3.042 20 0 GGADMN Cc1ccc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)cc1Br ZINC000333460257 565882959 /nfs/dbraw/zinc/88/29/59/565882959.db2.gz GIFRBPXRTZBELR-UHFFFAOYSA-N 0 1 389.297 3.035 20 0 GGADMN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc2c(c1)CCCO2 ZINC000285024347 565883534 /nfs/dbraw/zinc/88/35/34/565883534.db2.gz HUTZPTAGTWPKQD-UHFFFAOYSA-N 0 1 380.491 3.163 20 0 GGADMN O=C(NCCCc1nc[nH]n1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000285028800 565883666 /nfs/dbraw/zinc/88/36/66/565883666.db2.gz HYJCRDMPIAFHTP-GFCCVEGCSA-N 0 1 379.745 3.133 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)s1 ZINC000333463366 565883943 /nfs/dbraw/zinc/88/39/43/565883943.db2.gz PZWSLYYSJGZTIF-DYVFJYSZSA-N 0 1 379.551 3.091 20 0 GGADMN O=C(NCCCc1nc[nH]n1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000285028805 565883864 /nfs/dbraw/zinc/88/38/64/565883864.db2.gz HYJCRDMPIAFHTP-LBPRGKRZSA-N 0 1 379.745 3.133 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccsc1 ZINC000285044490 565884358 /nfs/dbraw/zinc/88/43/58/565884358.db2.gz ILROSZLIQIMGKS-UHFFFAOYSA-N 0 1 376.862 3.178 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000177967765 565884512 /nfs/dbraw/zinc/88/45/12/565884512.db2.gz NZBREHVXVGYWJY-ZDUSSCGKSA-N 0 1 380.897 3.423 20 0 GGADMN O=c1cc(C[N@H+]2CCSC3(CCOCC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000285030215 565885007 /nfs/dbraw/zinc/88/50/07/565885007.db2.gz MXALCGXNECCTHW-UHFFFAOYSA-N 0 1 381.881 3.250 20 0 GGADMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc(Br)cn1 ZINC000333521804 565885775 /nfs/dbraw/zinc/88/57/75/565885775.db2.gz ZLTOAIDVJXBYLN-XHSDSOJGSA-N 0 1 396.329 3.188 20 0 GGADMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Br)cn1 ZINC000333521801 565886093 /nfs/dbraw/zinc/88/60/93/565886093.db2.gz ZLTOAIDVJXBYLN-OAGGEKHMSA-N 0 1 396.329 3.188 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000333559153 565886859 /nfs/dbraw/zinc/88/68/59/565886859.db2.gz RIFRDYMPDOHTGQ-KBPBESRZSA-N 0 1 390.281 3.338 20 0 GGADMN O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333584503 565887843 /nfs/dbraw/zinc/88/78/43/565887843.db2.gz OHHYUFNLYPGLKT-UHFFFAOYSA-N 0 1 383.254 3.410 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2cnc3ccsc3c2)cc1 ZINC000177996398 565887928 /nfs/dbraw/zinc/88/79/28/565887928.db2.gz VBXAVOYATCCKNP-AWEZNQCLSA-N 0 1 375.519 3.234 20 0 GGADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000333564328 565888399 /nfs/dbraw/zinc/88/83/99/565888399.db2.gz XAOMUQLLFDGPLX-DZGCQCFKSA-N 0 1 389.297 3.229 20 0 GGADMN C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000414031514 565888500 /nfs/dbraw/zinc/88/85/00/565888500.db2.gz FZZMORVSULJXBA-AAEUAGOBSA-N 0 1 378.270 3.072 20 0 GGADMN COCc1cnc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000285162710 565891572 /nfs/dbraw/zinc/89/15/72/565891572.db2.gz SMQPAPGDULHILN-UHFFFAOYSA-N 0 1 382.385 3.031 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccsc1 ZINC000178046412 565891812 /nfs/dbraw/zinc/89/18/12/565891812.db2.gz OJVHJWCWNVTLNK-WMLDXEAASA-N 0 1 380.535 3.056 20 0 GGADMN CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccc(F)c(Br)c1 ZINC000195732302 565892448 /nfs/dbraw/zinc/89/24/48/565892448.db2.gz SILKOEDAEWBZQJ-UHFFFAOYSA-N 0 1 391.240 3.316 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c(C)c1C ZINC000285181255 565892826 /nfs/dbraw/zinc/89/28/26/565892826.db2.gz UWKACGGKWQLRRI-UHFFFAOYSA-N 0 1 382.507 3.463 20 0 GGADMN C[NH+](C)CC1CCN(c2ccc([N-]S(=O)(=O)c3ccsc3)cc2)CC1 ZINC000285196564 565893145 /nfs/dbraw/zinc/89/31/45/565893145.db2.gz VWAJDEUNVKNVDE-UHFFFAOYSA-N 0 1 379.551 3.327 20 0 GGADMN COC(=O)c1cnc([C@H](C)NCCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000414083431 565893690 /nfs/dbraw/zinc/89/36/90/565893690.db2.gz WQCJRMHOFFYDCA-JTQLQIEISA-N 0 1 382.869 3.248 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccc(C3SCCS3)cc2)C[C@H](C)O1 ZINC000198902883 565893729 /nfs/dbraw/zinc/89/37/29/565893729.db2.gz IGHUTWIUTSQZEX-GJZGRUSLSA-N 0 1 380.579 3.394 20 0 GGADMN Brc1ccc2oc(CN3CCC(Cn4cncn4)CC3)nc2c1 ZINC000285194599 565893819 /nfs/dbraw/zinc/89/38/19/565893819.db2.gz FALGASCFIPFHPW-UHFFFAOYSA-N 0 1 376.258 3.094 20 0 GGADMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000178070979 565894389 /nfs/dbraw/zinc/89/43/89/565894389.db2.gz SYXIAUMITRDYEY-RSPIHXBNSA-N 0 1 398.326 3.135 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000414119835 565896739 /nfs/dbraw/zinc/89/67/39/565896739.db2.gz DSTROBQVPIIBFA-QMTHXVAHSA-N 0 1 399.235 3.391 20 0 GGADMN C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000414137607 565897838 /nfs/dbraw/zinc/89/78/38/565897838.db2.gz GARMKHPUHOPIAF-AGKHESDQSA-N 0 1 381.245 3.250 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178125634 565898616 /nfs/dbraw/zinc/89/86/16/565898616.db2.gz JLQVTDXDAOJENS-NUEKZKHPSA-N 0 1 383.319 3.278 20 0 GGADMN C[C@@H](N[C@@H](C)Cn1cc(Br)ccc1=O)c1nc2c(s1)CCC2 ZINC000414157712 565899531 /nfs/dbraw/zinc/89/95/31/565899531.db2.gz SAWXNGTWKXTJEC-WDEREUQCSA-N 0 1 382.327 3.295 20 0 GGADMN COCCNC(=O)C1(N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000414177631 565900263 /nfs/dbraw/zinc/90/02/63/565900263.db2.gz GEORXEGUNZMDNC-OAHLLOKOSA-N 0 1 381.314 3.056 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1Br ZINC000218771744 565900663 /nfs/dbraw/zinc/90/06/63/565900663.db2.gz FXSDZLSXQUJWRZ-JTQLQIEISA-N 0 1 388.103 3.178 20 0 GGADMN COC(=O)C(C)(C)C(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000285337733 565901049 /nfs/dbraw/zinc/90/10/49/565901049.db2.gz YRSPRYATHCTPMT-UHFFFAOYSA-N 0 1 398.282 3.095 20 0 GGADMN CO[C@@H]1C[C@@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C12CCC2 ZINC000414179365 565901970 /nfs/dbraw/zinc/90/19/70/565901970.db2.gz KQCOZAOUUCOXJQ-DFKRKDTASA-N 0 1 393.336 3.249 20 0 GGADMN CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)[C@@H]1O ZINC000333915685 565902051 /nfs/dbraw/zinc/90/20/51/565902051.db2.gz MXDVFIADHDDCAU-PWSUYJOCSA-N 0 1 379.912 3.015 20 0 GGADMN O[C@@H](COc1ccc(Cl)cc1)CN1CCN(CCc2cccs2)CC1 ZINC000220130258 565902971 /nfs/dbraw/zinc/90/29/71/565902971.db2.gz RHIUSXHMWCLJHW-QGZVFWFLSA-N 0 1 380.941 3.002 20 0 GGADMN O[C@H](COc1ccc(Cl)cc1)CN1CCN(CCc2cccs2)CC1 ZINC000220130188 565903042 /nfs/dbraw/zinc/90/30/42/565903042.db2.gz RHIUSXHMWCLJHW-KRWDZBQOSA-N 0 1 380.941 3.002 20 0 GGADMN O=C(Nc1cc(Br)ccn1)NC1CCN(Cc2ccccn2)CC1 ZINC000285373089 565903254 /nfs/dbraw/zinc/90/32/54/565903254.db2.gz YLXRSSVRXNOHAE-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN COCCNC(=O)C1(N[C@@H](C)c2ccc(SCC(F)(F)F)cc2)CC1 ZINC000414212473 565904271 /nfs/dbraw/zinc/90/42/71/565904271.db2.gz QDBICVYTMINVOH-LBPRGKRZSA-N 0 1 376.444 3.287 20 0 GGADMN CN(C)[C@H](CNCc1ncc(I)s1)c1ccsc1 ZINC000285397441 565904917 /nfs/dbraw/zinc/90/49/17/565904917.db2.gz HXSXBSWSWZJTLP-SNVBAGLBSA-N 0 1 393.319 3.202 20 0 GGADMN O=C([O-])c1cnc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)s1 ZINC000630456707 565905070 /nfs/dbraw/zinc/90/50/70/565905070.db2.gz VVVSNLDWYGCKGM-UHFFFAOYSA-N 0 1 380.901 3.119 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(Br)c2)CCC[N@H+]1C ZINC000285411167 565905465 /nfs/dbraw/zinc/90/54/65/565905465.db2.gz YLZIQRCRWZXMRG-XHDPSFHLSA-N 0 1 397.342 3.057 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(Br)c2)CCCN1C ZINC000285411167 565905470 /nfs/dbraw/zinc/90/54/70/565905470.db2.gz YLZIQRCRWZXMRG-XHDPSFHLSA-N 0 1 397.342 3.057 20 0 GGADMN CC(C)[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000414258029 565906322 /nfs/dbraw/zinc/90/63/22/565906322.db2.gz LIKLSFHNBAJMOD-SFHVURJKSA-N 0 1 381.519 3.410 20 0 GGADMN CC(C)(CCN[C@H]1CCc2c1c(Br)ccc2F)S(C)(=O)=O ZINC000414262811 565906444 /nfs/dbraw/zinc/90/64/44/565906444.db2.gz OONPOEBQEWUYAP-ZDUSSCGKSA-N 0 1 378.307 3.378 20 0 GGADMN CC(C)(CCN[C@@H]1CCc2c1c(Br)ccc2F)S(C)(=O)=O ZINC000414262806 565906649 /nfs/dbraw/zinc/90/66/49/565906649.db2.gz OONPOEBQEWUYAP-CYBMUJFWSA-N 0 1 378.307 3.378 20 0 GGADMN C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1OC(F)F ZINC000414275906 565907300 /nfs/dbraw/zinc/90/73/00/565907300.db2.gz XDNBRNOWBNWGGL-JTQLQIEISA-N 0 1 390.839 3.440 20 0 GGADMN C[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1OC(F)F ZINC000414275907 565907614 /nfs/dbraw/zinc/90/76/14/565907614.db2.gz XDNBRNOWBNWGGL-SNVBAGLBSA-N 0 1 390.839 3.440 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1Cl ZINC000414283023 565908184 /nfs/dbraw/zinc/90/81/84/565908184.db2.gz OPPNUBLOLXHEKK-CQSZACIVSA-N 0 1 386.901 3.453 20 0 GGADMN CC[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H](O)C(C)C ZINC000414290128 565908386 /nfs/dbraw/zinc/90/83/86/565908386.db2.gz IPWPFKLIFLRVFL-DZKIICNBSA-N 0 1 390.343 3.053 20 0 GGADMN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccccc1I ZINC000414293082 565908745 /nfs/dbraw/zinc/90/87/45/565908745.db2.gz BTWDHQMOMPMAOO-WQAKAFBOSA-N 0 1 381.204 3.491 20 0 GGADMN CC[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H](O)C(C)C ZINC000414290132 565908590 /nfs/dbraw/zinc/90/85/90/565908590.db2.gz IPWPFKLIFLRVFL-OFQRWUPVSA-N 0 1 390.343 3.053 20 0 GGADMN CC(C)COc1cccc(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000414312463 565909280 /nfs/dbraw/zinc/90/92/80/565909280.db2.gz WLDYSSJZECVJGL-UHFFFAOYSA-N 0 1 382.913 3.312 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000414299559 565909464 /nfs/dbraw/zinc/90/94/64/565909464.db2.gz AEPJYTPIKMLYSS-GOSISDBHSA-N 0 1 379.503 3.164 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000414299567 565909523 /nfs/dbraw/zinc/90/95/23/565909523.db2.gz AEPJYTPIKMLYSS-SFHVURJKSA-N 0 1 379.503 3.164 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCOc3c(Cl)cccc32)cc1Cl ZINC000414313738 565909814 /nfs/dbraw/zinc/90/98/14/565909814.db2.gz KOSLTRGMEWNUKZ-AWEZNQCLSA-N 0 1 387.288 3.254 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1Cl ZINC000414314163 565909832 /nfs/dbraw/zinc/90/98/32/565909832.db2.gz KZFKWPCGGVZGDT-HNNXBMFYSA-N 0 1 384.860 3.130 20 0 GGADMN COC1([C@H](C)N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCC1 ZINC000414308940 565909917 /nfs/dbraw/zinc/90/99/17/565909917.db2.gz QUXKGSVCHPPXCD-UWVGGRQHSA-N 0 1 381.325 3.249 20 0 GGADMN CCc1cccc2c1OCC[C@@H]2NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414326750 565911111 /nfs/dbraw/zinc/91/11/11/565911111.db2.gz LUPJZBGFJIJACW-INIZCTEOSA-N 0 1 380.897 3.163 20 0 GGADMN CCc1cccc2c1OCC[C@H]2NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414326754 565911209 /nfs/dbraw/zinc/91/12/09/565911209.db2.gz LUPJZBGFJIJACW-MRXNPFEDSA-N 0 1 380.897 3.163 20 0 GGADMN CCOC1CC2(C1)CCN(CC(=O)N(C)Cc1ccccc1Br)C2 ZINC000285502742 565911951 /nfs/dbraw/zinc/91/19/51/565911951.db2.gz NJTAPHHCIDOFMM-UHFFFAOYSA-N 0 1 395.341 3.299 20 0 GGADMN O=S1(=O)CC[C@@H](N[C@@H]2C[C@H]2c2ccco2)c2cc(Br)ccc21 ZINC000414333552 565911918 /nfs/dbraw/zinc/91/19/18/565911918.db2.gz APDOECCAFCAPRG-MRVWCRGKSA-N 0 1 382.279 3.406 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CN3CCCC3)s2)cs1 ZINC000178316617 565912368 /nfs/dbraw/zinc/91/23/68/565912368.db2.gz KADUSAZLGDAVND-CQSZACIVSA-N 0 1 397.591 3.429 20 0 GGADMN O=S1(=O)CC[C@H](N[C@@H]2C[C@H]2c2ccco2)c2cc(Br)ccc21 ZINC000414332978 565912453 /nfs/dbraw/zinc/91/24/53/565912453.db2.gz APDOECCAFCAPRG-KWCYVHTRSA-N 0 1 382.279 3.406 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1C ZINC000178349365 565913893 /nfs/dbraw/zinc/91/38/93/565913893.db2.gz HSEUZDJNCOVTTI-UHFFFAOYSA-N 0 1 376.356 3.026 20 0 GGADMN CN(C[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1)S(C)(=O)=O ZINC000285577029 565914172 /nfs/dbraw/zinc/91/41/72/565914172.db2.gz KRIWPBRDIDVNND-CQSZACIVSA-N 0 1 378.510 3.105 20 0 GGADMN CC(C)[C@@H](N[C@H](C)c1cc(Br)ccc1F)C(=O)N1CCOCC1 ZINC000178360354 565915154 /nfs/dbraw/zinc/91/51/54/565915154.db2.gz HQFWRKDTCCUNCB-MLGOLLRUSA-N 0 1 387.293 3.122 20 0 GGADMN CN(C)c1cc(CNCc2ccc(S(C)(=O)=O)s2)c2ccccc2n1 ZINC000414358760 565915208 /nfs/dbraw/zinc/91/52/08/565915208.db2.gz CLAFKQZDPMWHMH-UHFFFAOYSA-N 0 1 375.519 3.056 20 0 GGADMN CS(=O)(=O)c1ccc(CNCCNc2ncc(Cl)cc2Cl)s1 ZINC000414362702 565915773 /nfs/dbraw/zinc/91/57/73/565915773.db2.gz WHLGMHIUECMMGM-UHFFFAOYSA-N 0 1 380.322 3.055 20 0 GGADMN CCS(=O)(=O)Cc1ccc(NS(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000414378894 565918028 /nfs/dbraw/zinc/91/80/28/565918028.db2.gz BRJJMXBWTNVVOV-UHFFFAOYSA-N 0 1 387.910 3.384 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)COCc1ccccc1Cl ZINC000178427121 565918237 /nfs/dbraw/zinc/91/82/37/565918237.db2.gz KAUQFYUJTSUEBS-GKVSMKOHSA-N 0 1 381.925 3.087 20 0 GGADMN CN(Cc1ccc([S@@](C)=O)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000178428236 565918370 /nfs/dbraw/zinc/91/83/70/565918370.db2.gz CETAYGDRLACMFC-HTAPYJJXSA-N 0 1 382.323 3.352 20 0 GGADMN Cc1nn(C)c(S(=O)(=O)Nc2c(F)cccc2NC(C)C)c1C(F)F ZINC000414377719 565918837 /nfs/dbraw/zinc/91/88/37/565918837.db2.gz WWHHHVSGOZGREH-UHFFFAOYSA-N 0 1 376.404 3.426 20 0 GGADMN CN(CCC(=O)NCc1ccccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000178428607 565918849 /nfs/dbraw/zinc/91/88/49/565918849.db2.gz RANLYDZUYUYISQ-RUZDIDTESA-N 0 1 378.925 3.216 20 0 GGADMN OC1(CCNCc2csc(COc3ccc(Cl)cc3)n2)CCOCC1 ZINC000285644445 565919123 /nfs/dbraw/zinc/91/91/23/565919123.db2.gz XZBMDVQTBKQAIP-UHFFFAOYSA-N 0 1 382.913 3.397 20 0 GGADMN CCN(CC)CCN(Cc1ccc(S(C)(=O)=O)s1)Cc1ccccc1 ZINC000414386704 565921310 /nfs/dbraw/zinc/92/13/10/565921310.db2.gz XXYRDLKVPXDFMV-UHFFFAOYSA-N 0 1 380.579 3.496 20 0 GGADMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)c(SC)c2)c1 ZINC000414389434 565921546 /nfs/dbraw/zinc/92/15/46/565921546.db2.gz RAYFPDFXRRAQBQ-UHFFFAOYSA-N 0 1 383.491 3.373 20 0 GGADMN CSc1cc(C)ccc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000414391922 565921783 /nfs/dbraw/zinc/92/17/83/565921783.db2.gz DIYBREPPWWRBFE-UHFFFAOYSA-N 0 1 376.503 3.410 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cccc(Cl)c2Br)[C@H](C)C1 ZINC000285683178 565921903 /nfs/dbraw/zinc/92/19/03/565921903.db2.gz AHWOMCUTUIFNJU-MNOVXSKESA-N 0 1 390.709 3.021 20 0 GGADMN Cc1[nH]ncc1CNC(=O)c1cc(Br)sc1Br ZINC000227274834 565922151 /nfs/dbraw/zinc/92/21/51/565922151.db2.gz JICKMSBCDYBCBQ-UHFFFAOYSA-N 0 1 379.077 3.235 20 0 GGADMN CSc1cccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(F)c2)c1 ZINC000414389793 565922385 /nfs/dbraw/zinc/92/23/85/565922385.db2.gz TUNSSFZXXKKKNE-UHFFFAOYSA-N 0 1 384.498 3.289 20 0 GGADMN CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCC[NH+](C)C)c(C)c1 ZINC000414389570 565922471 /nfs/dbraw/zinc/92/24/71/565922471.db2.gz RTWIRIMKUNIXNO-UHFFFAOYSA-N 0 1 380.535 3.458 20 0 GGADMN CN(Cc1cc2c(c(Br)c1)OCO2)[C@@H]1CCCc2c1cnn2C ZINC000178505866 565923165 /nfs/dbraw/zinc/92/31/65/565923165.db2.gz ZRRTYOSQMQPNEO-CQSZACIVSA-N 0 1 378.270 3.421 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc(C)c(Br)c(Cl)c2)C1 ZINC000285742131 565924584 /nfs/dbraw/zinc/92/45/84/565924584.db2.gz KYOOBEZSZMLEFV-PWSUYJOCSA-N 0 1 399.676 3.131 20 0 GGADMN CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000285771704 565926192 /nfs/dbraw/zinc/92/61/92/565926192.db2.gz NFHCIWRPCPOGHC-GFCCVEGCSA-N 0 1 375.650 3.148 20 0 GGADMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(F)c1C ZINC000414416173 565926747 /nfs/dbraw/zinc/92/67/47/565926747.db2.gz VXQSTLLUXIMPKU-UHFFFAOYSA-N 0 1 375.368 3.238 20 0 GGADMN NC(=O)N1CCCN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000178568040 565926866 /nfs/dbraw/zinc/92/68/66/565926866.db2.gz UBYQBVBHSVXTDK-UHFFFAOYSA-N 0 1 378.270 3.296 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000178574894 565927018 /nfs/dbraw/zinc/92/70/18/565927018.db2.gz XZWPWFDEODOKCX-SJCJKPOMSA-N 0 1 380.897 3.423 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000178574902 565927147 /nfs/dbraw/zinc/92/71/47/565927147.db2.gz XZWPWFDEODOKCX-PXAZEXFGSA-N 0 1 380.897 3.423 20 0 GGADMN COc1ccccc1[C@@H](CNCc1ccc(S(C)(=O)=O)s1)OC(C)C ZINC000414426667 565929933 /nfs/dbraw/zinc/92/99/33/565929933.db2.gz CTRBHLICCKZNSV-QGZVFWFLSA-N 0 1 383.535 3.416 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@H](O)c2ccccc2Br)C1 ZINC000178645866 565931540 /nfs/dbraw/zinc/93/15/40/565931540.db2.gz GVDWIPHQPPUKJE-BBRMVZONSA-N 0 1 399.329 3.329 20 0 GGADMN CC(C)[C@@H](CNc1ncc(Br)cc1Cl)N1CCN(C)CC1 ZINC000232748195 565932745 /nfs/dbraw/zinc/93/27/45/565932745.db2.gz OVRXRLZZKUCSKV-CQSZACIVSA-N 0 1 375.742 3.181 20 0 GGADMN Cc1csc([C@H](C)CNCc2ncc(I)s2)n1 ZINC000285932367 565933876 /nfs/dbraw/zinc/93/38/76/565933876.db2.gz LVFWCMINXKUMPQ-SSDOTTSWSA-N 0 1 379.292 3.406 20 0 GGADMN CN(C)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234238780 565934162 /nfs/dbraw/zinc/93/41/62/565934162.db2.gz KECCJDKLBOYPSX-UHFFFAOYSA-N 0 1 390.690 3.364 20 0 GGADMN CC(C)c1nc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cn1C ZINC000414448699 565934735 /nfs/dbraw/zinc/93/47/35/565934735.db2.gz BBNULBPWBDUGCH-CYBMUJFWSA-N 0 1 379.379 3.265 20 0 GGADMN N[C@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000178723857 565934858 /nfs/dbraw/zinc/93/48/58/565934858.db2.gz SAXCIWUDAKSFEZ-KSSFIOAISA-N 0 1 388.309 3.092 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1 ZINC000234967797 565935412 /nfs/dbraw/zinc/93/54/12/565935412.db2.gz WJEFFEOWDDFJQT-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN Cc1nc(C)c([C@@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)s1 ZINC000178746794 565935604 /nfs/dbraw/zinc/93/56/04/565935604.db2.gz KQWTUIXOUVTOBK-CYBMUJFWSA-N 0 1 381.567 3.439 20 0 GGADMN Cc1ncc2n1CC[C@@H](c1nc(-c3cn4ccc(Br)cc4n3)no1)C2 ZINC000350428972 565935823 /nfs/dbraw/zinc/93/58/23/565935823.db2.gz GIVDZAWJIVTRDJ-LLVKDONJSA-N 0 1 399.252 3.382 20 0 GGADMN OCC[C@@H]1CCC[C@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000285966683 565935816 /nfs/dbraw/zinc/93/58/16/565935816.db2.gz DMSLHPIZJMOIEM-DZGCQCFKSA-N 0 1 380.286 3.064 20 0 GGADMN OCC[C@H]1CCC[C@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000285966689 565936439 /nfs/dbraw/zinc/93/64/39/565936439.db2.gz DMSLHPIZJMOIEM-UKRRQHHQSA-N 0 1 380.286 3.064 20 0 GGADMN CC(C)c1[nH]nc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)c1Br ZINC000350346349 565936726 /nfs/dbraw/zinc/93/67/26/565936726.db2.gz BWCNLPUEDJERAW-QLJPJBMISA-N 0 1 396.289 3.271 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](C)N1 ZINC000235683763 565936957 /nfs/dbraw/zinc/93/69/57/565936957.db2.gz QNRFVQYZCBDYBT-DTORHVGOSA-N 0 1 376.092 3.034 20 0 GGADMN COc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000286012647 565937353 /nfs/dbraw/zinc/93/73/53/565937353.db2.gz PKMFPYJAYMADTN-DLBZAZTESA-N 0 1 380.286 3.201 20 0 GGADMN O=C(NCC1CCN(C(=O)c2cscc2Br)CC1)C(F)(F)F ZINC000286000383 565937538 /nfs/dbraw/zinc/93/75/38/565937538.db2.gz QGQJSGJBJIWPND-UHFFFAOYSA-N 0 1 399.232 3.041 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCSC(F)(F)F)CC1 ZINC000178788923 565937488 /nfs/dbraw/zinc/93/74/88/565937488.db2.gz DSROPMZUZFCLMG-LBPRGKRZSA-N 0 1 376.448 3.159 20 0 GGADMN Clc1ccc(I)c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000236084858 565938212 /nfs/dbraw/zinc/93/82/12/565938212.db2.gz SBJSTWVMGCEBRH-JTQLQIEISA-N 0 1 375.597 3.419 20 0 GGADMN Clc1ccc(I)c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000236084896 565938438 /nfs/dbraw/zinc/93/84/38/565938438.db2.gz SBJSTWVMGCEBRH-SNVBAGLBSA-N 0 1 375.597 3.419 20 0 GGADMN CCOc1cc(-c2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000350584804 565939115 /nfs/dbraw/zinc/93/91/15/565939115.db2.gz PBNWQNLCZBTABM-MWLCHTKSSA-N 0 1 382.258 3.269 20 0 GGADMN CCOc1cc(-c2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000350584804 565939119 /nfs/dbraw/zinc/93/91/19/565939119.db2.gz PBNWQNLCZBTABM-MWLCHTKSSA-N 0 1 382.258 3.269 20 0 GGADMN O=C(CNC[C@@H]1CCCO1)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000236579987 565939192 /nfs/dbraw/zinc/93/91/92/565939192.db2.gz OOTAMXGVVLNFPG-ZDUSSCGKSA-N 0 1 396.310 3.280 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CN1CCC(N2CCCS2(=O)=O)CC1 ZINC000414473564 565939930 /nfs/dbraw/zinc/93/99/30/565939930.db2.gz VZPKJEYIZVOVKG-UHFFFAOYSA-N 0 1 376.444 3.014 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCc1cc2c(c(Br)c1)OCO2 ZINC000178831487 565940432 /nfs/dbraw/zinc/94/04/32/565940432.db2.gz BXZNLZUOXOEISO-UHFFFAOYSA-N 0 1 385.302 3.208 20 0 GGADMN O=C(NCC1(c2cccc(Br)c2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000236649673 565941144 /nfs/dbraw/zinc/94/11/44/565941144.db2.gz CPODPYLWQGEUFD-SFHVURJKSA-N 0 1 385.305 3.311 20 0 GGADMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(C)c2S(C)(=O)=O)c1C ZINC000414479222 565942055 /nfs/dbraw/zinc/94/20/55/565942055.db2.gz RKCAQECNKZPWOQ-UHFFFAOYSA-N 0 1 381.519 3.433 20 0 GGADMN CCCOc1c(Br)cc(CN2CC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000414496077 565943092 /nfs/dbraw/zinc/94/30/92/565943092.db2.gz IAAXNCGGWMMZLU-CQSZACIVSA-N 0 1 399.329 3.157 20 0 GGADMN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000236744719 565943906 /nfs/dbraw/zinc/94/39/06/565943906.db2.gz VZHHPWMMPKBCIN-SECBINFHSA-N 0 1 387.702 3.037 20 0 GGADMN O=C(c1ccccc1Sc1ccc(Br)cn1)N1CCNCC1 ZINC000236741163 565944354 /nfs/dbraw/zinc/94/43/54/565944354.db2.gz KRXHJTNODZYZQJ-UHFFFAOYSA-N 0 1 378.295 3.041 20 0 GGADMN CC(C)(CNCc1cn(-c2ccccc2Br)nn1)OCC1CC1 ZINC000414506725 565944468 /nfs/dbraw/zinc/94/44/68/565944468.db2.gz UOEVSPJZYSQFJI-UHFFFAOYSA-N 0 1 379.302 3.325 20 0 GGADMN CC(C)c1nc(C(=O)N2CCN[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000236823933 565944994 /nfs/dbraw/zinc/94/49/94/565944994.db2.gz FKNRXQBAVSGMJR-NSHDSACASA-N 0 1 382.295 3.131 20 0 GGADMN COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000178900092 565944977 /nfs/dbraw/zinc/94/49/77/565944977.db2.gz FUSWMJSIWIKIRB-SNVBAGLBSA-N 0 1 397.294 3.488 20 0 GGADMN CC[C@@H](NCc1ncc(Br)cc1Br)[C@@H](O)C(C)C ZINC000414525850 565945674 /nfs/dbraw/zinc/94/56/74/565945674.db2.gz KKQKKVGWHVBFCL-YPMHNXCESA-N 0 1 380.124 3.492 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2sccc2CN(C)C)cc1 ZINC000286166902 565946296 /nfs/dbraw/zinc/94/62/96/565946296.db2.gz QSCBNLNLXSOYAZ-CYBMUJFWSA-N 0 1 380.535 3.094 20 0 GGADMN O=C1CCCN1[C@@H]1CCCN(Cc2cccc(I)c2)CC1 ZINC000414547736 565946508 /nfs/dbraw/zinc/94/65/08/565946508.db2.gz IVYDOZQAJXAVLF-MRXNPFEDSA-N 0 1 398.288 3.268 20 0 GGADMN CC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)[O-] ZINC000236863972 565947147 /nfs/dbraw/zinc/94/71/47/565947147.db2.gz YYELSPPTWWWRDY-SNVBAGLBSA-N 0 1 375.238 3.102 20 0 GGADMN CCS(=O)(=O)CCCNCc1cc(C(F)(F)F)ccc1Br ZINC000414538379 565947247 /nfs/dbraw/zinc/94/72/47/565947247.db2.gz BMQHPFPPTXCJKO-UHFFFAOYSA-N 0 1 388.249 3.382 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000414555871 565948175 /nfs/dbraw/zinc/94/81/75/565948175.db2.gz UVABYOZDANOWKN-HNNXBMFYSA-N 0 1 381.314 3.435 20 0 GGADMN CS(=O)(=O)CC1(CNCc2cc(Cl)ccc2Br)CCC1 ZINC000414556189 565948451 /nfs/dbraw/zinc/94/84/51/565948451.db2.gz OALNTLAYJNFGCT-UHFFFAOYSA-N 0 1 380.735 3.407 20 0 GGADMN COc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c(Br)c1 ZINC000414552893 565948586 /nfs/dbraw/zinc/94/85/86/565948586.db2.gz QTVXZWDAOCGEQU-OAHLLOKOSA-N 0 1 381.314 3.435 20 0 GGADMN COc1sc(CN(C)C(C)(C)CN2CCOCC2)cc1Br ZINC000414565348 565949602 /nfs/dbraw/zinc/94/96/02/565949602.db2.gz GDKPXXYKLNTQGE-UHFFFAOYSA-N 0 1 377.348 3.062 20 0 GGADMN COC(=O)[C@@H]1CSCCN(Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000414573931 565949845 /nfs/dbraw/zinc/94/98/45/565949845.db2.gz ZUHYUHUEQNXTNE-AWEZNQCLSA-N 0 1 379.913 3.079 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000178978963 565950033 /nfs/dbraw/zinc/95/00/33/565950033.db2.gz DZFXMTPHLWNZHL-UHFFFAOYSA-N 0 1 376.925 3.361 20 0 GGADMN C[C@@H](C[C@H](O)c1cccs1)NCc1ncc(I)s1 ZINC000286250721 565950368 /nfs/dbraw/zinc/95/03/68/565950368.db2.gz ZZDZFZLVKLRCNT-IUCAKERBSA-N 0 1 394.303 3.411 20 0 GGADMN C[C@@H](C[C@@H](O)c1cccs1)NCc1ncc(I)s1 ZINC000286250715 565950691 /nfs/dbraw/zinc/95/06/91/565950691.db2.gz ZZDZFZLVKLRCNT-DTWKUNHWSA-N 0 1 394.303 3.411 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286296275 565952711 /nfs/dbraw/zinc/95/27/11/565952711.db2.gz OVYRRNCQNIWFQR-SCZZXKLOSA-N 0 1 393.818 3.425 20 0 GGADMN Cc1cc(CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)sc1Br ZINC000414656292 565953107 /nfs/dbraw/zinc/95/31/07/565953107.db2.gz KJBAPEHXEMZZNK-LBPRGKRZSA-N 0 1 375.332 3.190 20 0 GGADMN Cc1cc(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)sc1Br ZINC000414656291 565953394 /nfs/dbraw/zinc/95/33/94/565953394.db2.gz KJBAPEHXEMZZNK-GFCCVEGCSA-N 0 1 375.332 3.190 20 0 GGADMN COc1ccc(Br)cc1CNCc1cc(OC)c(O)c(OC)c1 ZINC000237293415 565955510 /nfs/dbraw/zinc/95/55/10/565955510.db2.gz AIHCWQYXTHGJLQ-UHFFFAOYSA-N 0 1 382.254 3.470 20 0 GGADMN COc1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1Br ZINC000237312925 565956838 /nfs/dbraw/zinc/95/68/38/565956838.db2.gz HTUYFPDHUOFXCQ-SJCJKPOMSA-N 0 1 389.293 3.349 20 0 GGADMN CO[C@@H](CC(C)C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000414736700 565957347 /nfs/dbraw/zinc/95/73/47/565957347.db2.gz YLLJYPGIDVQHLE-KRWDZBQOSA-N 0 1 398.345 3.201 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N[C@H](C)c2n[nH]c(C)n2)cc1OC ZINC000286430576 565959372 /nfs/dbraw/zinc/95/93/72/565959372.db2.gz RTRHRWFDSLHAEQ-SECBINFHSA-N 0 1 397.273 3.164 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cc(Br)ccc2Br)CCN1 ZINC000414784280 565960285 /nfs/dbraw/zinc/96/02/85/565960285.db2.gz SANIQIFEXWIFPS-QMMMGPOBSA-N 0 1 377.080 3.037 20 0 GGADMN COc1ccc(Sc2ccc(NC(=O)[C@@H]3CNCCO3)cc2Cl)cc1 ZINC000237471988 565960223 /nfs/dbraw/zinc/96/02/23/565960223.db2.gz WORLCOLTHHIBEY-INIZCTEOSA-N 0 1 378.881 3.427 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1nc2ccc(Br)cc2n1C ZINC000286439147 565960603 /nfs/dbraw/zinc/96/06/03/565960603.db2.gz LPXUYUNRDNXTFS-CQSZACIVSA-N 0 1 393.329 3.217 20 0 GGADMN C[C@H]1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CCN1 ZINC000237528034 565962955 /nfs/dbraw/zinc/96/29/55/565962955.db2.gz JYCNPGYYFLMFPJ-NSHDSACASA-N 0 1 394.244 3.209 20 0 GGADMN C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ncc(Br)s1 ZINC000179196579 565964466 /nfs/dbraw/zinc/96/44/66/565964466.db2.gz KHDFAVDJVWYCSZ-UTUOFQBUSA-N 0 1 376.364 3.444 20 0 GGADMN Brc1ccc(-c2nnc(SCCN3C[C@H]4CC[C@@H](C3)O4)o2)cc1 ZINC000361034154 565964603 /nfs/dbraw/zinc/96/46/03/565964603.db2.gz KVELWUFEUYZKGD-OKILXGFUSA-N 0 1 396.310 3.454 20 0 GGADMN C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ncc(Br)s1 ZINC000179196558 565964955 /nfs/dbraw/zinc/96/49/55/565964955.db2.gz KHDFAVDJVWYCSZ-TUAOUCFPSA-N 0 1 376.364 3.444 20 0 GGADMN COc1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)c(Br)c1 ZINC000286527529 565965699 /nfs/dbraw/zinc/96/56/99/565965699.db2.gz NLCXOTLUZQUCTG-CRAIPNDOSA-N 0 1 380.282 3.032 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000179217421 565966004 /nfs/dbraw/zinc/96/60/04/565966004.db2.gz KLAGJZBLUCKDLI-SCLBCKFNSA-N 0 1 388.309 3.016 20 0 GGADMN CN1CC[C@H](CNC(=O)NOCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000361213905 565966306 /nfs/dbraw/zinc/96/63/06/565966306.db2.gz GSZPPNYQRBDVNN-ZWNOBZJWSA-N 0 1 383.773 3.265 20 0 GGADMN O=C(NCCc1ccc(F)c(Br)c1)[C@@H]1NCCc2ccccc21 ZINC000237751489 565969843 /nfs/dbraw/zinc/96/98/43/565969843.db2.gz CYPJZMLMLSLZMI-QGZVFWFLSA-N 0 1 377.257 3.134 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000237761124 565969934 /nfs/dbraw/zinc/96/99/34/565969934.db2.gz FEHASKOOUGCPJL-CQSZACIVSA-N 0 1 377.794 3.146 20 0 GGADMN CCOc1cc(Br)c(NC(=O)N2CCN[C@H](C)C2)cc1OCC ZINC000415013513 565970613 /nfs/dbraw/zinc/97/06/13/565970613.db2.gz KTNQBPSLMZOPQU-LLVKDONJSA-N 0 1 386.290 3.072 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1Br ZINC000237804465 565971651 /nfs/dbraw/zinc/97/16/51/565971651.db2.gz ACRSYPPBFINJDM-RCBQFDQVSA-N 0 1 395.297 3.414 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cc(F)c(Br)cc1Cl ZINC000286639215 565972465 /nfs/dbraw/zinc/97/24/65/565972465.db2.gz DQNCETAHYCMQBW-UHFFFAOYSA-N 0 1 376.617 3.114 20 0 GGADMN O=C(c1cccc(Br)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179328584 565972576 /nfs/dbraw/zinc/97/25/76/565972576.db2.gz ZXIJVUBOFUGUHM-CYBMUJFWSA-N 0 1 375.270 3.464 20 0 GGADMN N[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000237825321 565972764 /nfs/dbraw/zinc/97/27/64/565972764.db2.gz HBDNRNBGSHXOSD-KBXCAEBGSA-N 0 1 388.309 3.092 20 0 GGADMN Cc1nn(C)c2ncc(CNCc3cc4c(c(Br)c3)OCO4)cc12 ZINC000237893825 565973885 /nfs/dbraw/zinc/97/38/85/565973885.db2.gz WYZQBWOIKINUPA-UHFFFAOYSA-N 0 1 389.253 3.058 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3oc(Br)cc3C)n2)cc1 ZINC000361957163 565973868 /nfs/dbraw/zinc/97/38/68/565973868.db2.gz QJOCJOXKQTYWKY-UHFFFAOYSA-N 0 1 391.225 3.074 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3oc(Br)cc3C)n[nH]2)cc1 ZINC000361957163 565973872 /nfs/dbraw/zinc/97/38/72/565973872.db2.gz 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[NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000238025730 565978004 /nfs/dbraw/zinc/97/80/04/565978004.db2.gz PLRZVKRRNKYFKB-PRHODGIISA-N 0 1 399.713 3.037 20 0 GGADMN Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)c(C)cc1Br ZINC000179401513 565978883 /nfs/dbraw/zinc/97/88/83/565978883.db2.gz JTBKAHDFUIVFHO-UHFFFAOYSA-N 0 1 395.341 3.250 20 0 GGADMN O=C([O-])CC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000238161016 565981698 /nfs/dbraw/zinc/98/16/98/565981698.db2.gz NXEAMSZGCUIUCU-ZDUSSCGKSA-N 0 1 380.242 3.035 20 0 GGADMN CC1(C)CN(C(=O)Nc2cc(I)ccc2Cl)CCN1 ZINC000415274823 565982844 /nfs/dbraw/zinc/98/28/44/565982844.db2.gz XVLYZKYAGGVHBB-UHFFFAOYSA-N 0 1 393.656 3.160 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1Cl ZINC000286915484 565985689 /nfs/dbraw/zinc/98/56/89/565985689.db2.gz AUFAGOIAGQNAAY-QMMMGPOBSA-N 0 1 388.255 3.328 20 0 GGADMN CC1(C)CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)CCN1 ZINC000415303079 565985640 /nfs/dbraw/zinc/98/56/40/565985640.db2.gz 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GGADMN COc1ccc(-c2nc(CNC(=O)c3nc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000363078875 565989473 /nfs/dbraw/zinc/98/94/73/565989473.db2.gz HWESBOWUAVBYPK-UHFFFAOYSA-N 0 1 378.219 3.112 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CCN[C@@H](C)C2)c1C ZINC000415362200 565991015 /nfs/dbraw/zinc/99/10/15/565991015.db2.gz PEQRUQYPZDXTKT-NSHDSACASA-N 0 1 392.301 3.077 20 0 GGADMN COCCOC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000245468151 565991501 /nfs/dbraw/zinc/99/15/01/565991501.db2.gz ZUIJHRDANNDBRP-CHWSQXEVSA-N 0 1 375.296 3.305 20 0 GGADMN CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000179592013 565991809 /nfs/dbraw/zinc/99/18/09/565991809.db2.gz QKXXELDCLXDYEX-UHFFFAOYSA-N 0 1 398.282 3.310 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000245465647 565991988 /nfs/dbraw/zinc/99/19/88/565991988.db2.gz YNOYZYRYRDTUMT-ZIAGYGMSSA-N 0 1 389.323 3.156 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363170493 565993586 /nfs/dbraw/zinc/99/35/86/565993586.db2.gz IWMILLVZMRDTIC-SSDOTTSWSA-N 0 1 393.968 3.234 20 0 GGADMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOc1ccc(F)cc1Cl ZINC000179621877 565993915 /nfs/dbraw/zinc/99/39/15/565993915.db2.gz HDCZJUKHJQDPEW-LBPRGKRZSA-N 0 1 386.876 3.198 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000245595668 565997249 /nfs/dbraw/zinc/99/72/49/565997249.db2.gz CARLXAULLOSULY-KFWWJZLASA-N 0 1 375.270 3.425 20 0 GGADMN CC[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(OC)c(OC)c1 ZINC000287100609 565997789 /nfs/dbraw/zinc/99/77/89/565997789.db2.gz VHVHMWRAXXLFEM-SNVBAGLBSA-N 0 1 385.536 3.204 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2nc(Cc3ccccc3Br)cs2)CCN1 ZINC000415456416 565999153 /nfs/dbraw/zinc/99/91/53/565999153.db2.gz VYPMIZIHLAQWCU-LLVKDONJSA-N 0 1 395.326 3.322 20 0 GGADMN Cc1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)n[nH]1 ZINC000287138372 565999759 /nfs/dbraw/zinc/99/97/59/565999759.db2.gz WOVZHYAYMVCQNL-JTQLQIEISA-N 0 1 380.905 3.202 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179699664 566001263 /nfs/dbraw/zinc/00/12/63/566001263.db2.gz PKIVRPUGRJAESY-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000363363551 566001422 /nfs/dbraw/zinc/00/14/22/566001422.db2.gz ACGKQUYIGDIAEI-GFCCVEGCSA-N 0 1 393.285 3.049 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179703199 566001450 /nfs/dbraw/zinc/00/14/50/566001450.db2.gz DMAFGBOLNWORFK-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179704637 566001581 /nfs/dbraw/zinc/00/15/81/566001581.db2.gz UDUCNTGZVCALJE-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179703019 566001711 /nfs/dbraw/zinc/00/17/11/566001711.db2.gz SKPGEEDQUIJINR-NSHDSACASA-N 0 1 384.864 3.043 20 0 GGADMN O=C(N1CCC(c2nc[nH]n2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000363362202 566002168 /nfs/dbraw/zinc/00/21/68/566002168.db2.gz DNDJYFDHHGYOME-UHFFFAOYSA-N 0 1 375.270 3.005 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@@H](C)CCc2ccc(Br)cc2)n[nH]1 ZINC000287222018 566004511 /nfs/dbraw/zinc/00/45/11/566004511.db2.gz QCAPAEGONATWKH-QWRGUYRKSA-N 0 1 380.290 3.257 20 0 GGADMN O=C(CN[C@H](CCCO)c1ccccc1)Nc1ccc(Br)cc1 ZINC000179751675 566005331 /nfs/dbraw/zinc/00/53/31/566005331.db2.gz NUDDIKUWBYMIJW-QGZVFWFLSA-N 0 1 377.282 3.491 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1C[C@H]1c1cccnc1 ZINC000363465822 566007109 /nfs/dbraw/zinc/00/71/09/566007109.db2.gz VPDQANDHPBINIZ-UONOGXRCSA-N 0 1 384.237 3.371 20 0 GGADMN COc1cc(CN2CCS[C@@H]3CCCC[C@H]32)cc(Cl)c1OCC(N)=O ZINC000245811929 566008267 /nfs/dbraw/zinc/00/82/67/566008267.db2.gz ZMEJKVZGUVIOGT-GDBMZVCRSA-N 0 1 384.929 3.073 20 0 GGADMN CCOc1cc(CN(C)Cc2nnc[nH]2)cc(Br)c1OC(F)F ZINC000179797186 566008401 /nfs/dbraw/zinc/00/84/01/566008401.db2.gz LIQHPJVWTIBUOW-UHFFFAOYSA-N 0 1 391.216 3.199 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CN(C)Cc1nnc[nH]1 ZINC000179792719 566008576 /nfs/dbraw/zinc/00/85/76/566008576.db2.gz MFGRZQXPDPKNQQ-UHFFFAOYSA-N 0 1 375.274 3.002 20 0 GGADMN CC[C@H]1CCCCN1C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000363496181 566008579 /nfs/dbraw/zinc/00/85/79/566008579.db2.gz ODNOSUUWHHQMRX-HNNXBMFYSA-N 0 1 383.334 3.074 20 0 GGADMN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccc(F)c(Br)c2)C1 ZINC000245894674 566009183 /nfs/dbraw/zinc/00/91/83/566009183.db2.gz CUHPMAUMKIUMCH-YOEHRIQHSA-N 0 1 398.320 3.256 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCSC1 ZINC000245888688 566009328 /nfs/dbraw/zinc/00/93/28/566009328.db2.gz OCNHQCLOFCJKNN-RYUDHWBXSA-N 0 1 380.735 3.280 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCSC1 ZINC000245888684 566009450 /nfs/dbraw/zinc/00/94/50/566009450.db2.gz OCNHQCLOFCJKNN-NWDGAFQWSA-N 0 1 380.735 3.280 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cccc(-n2cnnn2)c1 ZINC000179820929 566011158 /nfs/dbraw/zinc/01/11/58/566011158.db2.gz RZPBVVAOYBKOGH-UHFFFAOYSA-N 0 1 394.616 3.036 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC2(C1)CCOCC2 ZINC000363573675 566011221 /nfs/dbraw/zinc/01/12/21/566011221.db2.gz VMGIOGIHVWJCFV-UHFFFAOYSA-N 0 1 390.281 3.482 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245962976 566012674 /nfs/dbraw/zinc/01/26/74/566012674.db2.gz MVDFSFPQQAQRKU-XJKSGUPXSA-N 0 1 396.329 3.083 20 0 GGADMN CCCC(C)(C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179883264 566014909 /nfs/dbraw/zinc/01/49/09/566014909.db2.gz SAUGMZJLLIUYLB-UHFFFAOYSA-N 0 1 398.244 3.441 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)C[C@@H]1C ZINC000246038304 566015008 /nfs/dbraw/zinc/01/50/08/566015008.db2.gz NEKMPOYZQYSELI-QWRGUYRKSA-N 0 1 390.709 3.021 20 0 GGADMN O=C(Nc1cccnc1Br)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179881592 566015047 /nfs/dbraw/zinc/01/50/47/566015047.db2.gz IFBFQMNBVXHABP-LLVKDONJSA-N 0 1 391.273 3.251 20 0 GGADMN Cc1cc(Cc2cnc(NC(=O)N3CCNCC3)s2)ccc1Br ZINC000415723726 566015693 /nfs/dbraw/zinc/01/56/93/566015693.db2.gz 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C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000248431999 566078425 /nfs/dbraw/zinc/07/84/25/566078425.db2.gz VAHBFMAGRJGQTN-UONOGXRCSA-N 0 1 378.460 3.431 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1cccs1 ZINC000365018384 566079219 /nfs/dbraw/zinc/07/92/19/566079219.db2.gz LOJXBLCSGUSXPE-HNNXBMFYSA-N 0 1 381.933 3.247 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000248510359 566080035 /nfs/dbraw/zinc/08/00/35/566080035.db2.gz ADYUESLCCQDRON-WQVCFCJDSA-N 0 1 395.297 3.495 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000248510358 566080277 /nfs/dbraw/zinc/08/02/77/566080277.db2.gz ADYUESLCCQDRON-RCBQFDQVSA-N 0 1 395.297 3.495 20 0 GGADMN COCCc1nc2cc(NS(=O)(=O)c3ccc(Cl)nc3C)ccc2o1 ZINC000288575376 566080635 /nfs/dbraw/zinc/08/06/35/566080635.db2.gz LDBNNHJPNPDVDQ-UHFFFAOYSA-N 0 1 381.841 3.174 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)CN(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000248557441 566081348 /nfs/dbraw/zinc/08/13/48/566081348.db2.gz IMRAVCXJQVTMDQ-PUAOIOHZSA-N 0 1 381.925 3.258 20 0 GGADMN C[C@@H]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1n1ccnc1 ZINC000248553683 566081639 /nfs/dbraw/zinc/08/16/39/566081639.db2.gz JQJBOKKKAUYJKB-OAUYIBNBSA-N 0 1 382.277 3.401 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Br)N(C)C1CC1 ZINC000180680460 566082164 /nfs/dbraw/zinc/08/21/64/566082164.db2.gz IUUGGRRGEXQSDT-JTQLQIEISA-N 0 1 395.750 3.005 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)c1c(Cl)ccc(F)c1Cl ZINC000248590687 566082393 /nfs/dbraw/zinc/08/23/93/566082393.db2.gz HCNRGHFBZKZRNU-SDDRHHMPSA-N 0 1 392.302 3.290 20 0 GGADMN Cn1cc(S(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cn1 ZINC000180702325 566082746 /nfs/dbraw/zinc/08/27/46/566082746.db2.gz BFDUAPINOBTXNC-LLVKDONJSA-N 0 1 387.305 3.021 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)c1c(Cl)ccc(F)c1Cl ZINC000248590684 566083022 /nfs/dbraw/zinc/08/30/22/566083022.db2.gz HCNRGHFBZKZRNU-GRYCIOLGSA-N 0 1 392.302 3.290 20 0 GGADMN COCC[C@@H](C)S(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000416537653 566083426 /nfs/dbraw/zinc/08/34/26/566083426.db2.gz UPYGRRMHSCCBBI-WBMJQRKESA-N 0 1 385.917 3.498 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 ZINC000248632268 566084214 /nfs/dbraw/zinc/08/42/14/566084214.db2.gz WUCXFMQDZJTAPU-AGIUHOORSA-N 0 1 380.897 3.397 20 0 GGADMN CC(C)(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000416546828 566084474 /nfs/dbraw/zinc/08/44/74/566084474.db2.gz UHKXRGQQGNGXRL-UHFFFAOYSA-N 0 1 396.822 3.253 20 0 GGADMN O=S(=O)(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c(F)cccc1F ZINC000180734969 566085071 /nfs/dbraw/zinc/08/50/71/566085071.db2.gz RBGNWRNHOLPWBI-GJZGRUSLSA-N 0 1 375.343 3.052 20 0 GGADMN O=S(=O)(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c(F)cccc1F ZINC000180734913 566085607 /nfs/dbraw/zinc/08/56/07/566085607.db2.gz RBGNWRNHOLPWBI-HUUCEWRRSA-N 0 1 375.343 3.052 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000416549176 566086014 /nfs/dbraw/zinc/08/60/14/566086014.db2.gz CIRWRTODWONVJT-UHFFFAOYSA-N 0 1 390.933 3.434 20 0 GGADMN C[C@H](COC1CCCC1)CS(=O)(=O)N(CCN(C)C)Cc1ccsc1 ZINC000416554245 566086225 /nfs/dbraw/zinc/08/62/25/566086225.db2.gz JJWVIFSBSWHITL-MRXNPFEDSA-N 0 1 388.599 3.037 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000180756651 566086910 /nfs/dbraw/zinc/08/69/10/566086910.db2.gz YFQVMTKZIJHNQT-CYBMUJFWSA-N 0 1 383.342 3.324 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N(CCN(C)C)Cc1ccsc1 ZINC000416558161 566087156 /nfs/dbraw/zinc/08/71/56/566087156.db2.gz OOWRLQYLHSKOEQ-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccsc2)cc1Cl ZINC000416561758 566087302 /nfs/dbraw/zinc/08/73/02/566087302.db2.gz OZHJIWCJJZQGSS-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc2cnccc21 ZINC000416559289 566087356 /nfs/dbraw/zinc/08/73/56/566087356.db2.gz KNWJXAOIBVBJHJ-UHFFFAOYSA-N 0 1 375.519 3.049 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000248785209 566088620 /nfs/dbraw/zinc/08/86/20/566088620.db2.gz YODKXWTWXLSKFK-QLFBSQMISA-N 0 1 398.345 3.309 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1Br ZINC000248785213 566088865 /nfs/dbraw/zinc/08/88/65/566088865.db2.gz YODKXWTWXLSKFK-RBSFLKMASA-N 0 1 398.345 3.309 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000248763417 566089015 /nfs/dbraw/zinc/08/90/15/566089015.db2.gz GTWPUYPIUTWJBS-CXAGYDPISA-N 0 1 389.293 3.405 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(Br)cc2Cl)[C@@H](C)C1 ZINC000248754307 566089076 /nfs/dbraw/zinc/08/90/76/566089076.db2.gz VREKOLOSFADINH-QWRGUYRKSA-N 0 1 390.709 3.021 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NC[C@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000288787685 566091145 /nfs/dbraw/zinc/09/11/45/566091145.db2.gz DSDWXXMZSQIPLL-UWVGGRQHSA-N 0 1 398.330 3.417 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCOc2c(Br)cccc21 ZINC000180820808 566091733 /nfs/dbraw/zinc/09/17/33/566091733.db2.gz HPTQHBXBRMXYKA-BXUZGUMPSA-N 0 1 376.316 3.076 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCOc2cc(Br)ccc21 ZINC000180822609 566092158 /nfs/dbraw/zinc/09/21/58/566092158.db2.gz XUTOZHMAJUIFAH-SMDDNHRTSA-N 0 1 376.316 3.076 20 0 GGADMN C[C@@H](NC(=O)CN1CCSC[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000249058043 566095898 /nfs/dbraw/zinc/09/58/98/566095898.db2.gz OXCKDVLZYSRDRV-QWHCGFSZSA-N 0 1 376.444 3.447 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000180884869 566096607 /nfs/dbraw/zinc/09/66/07/566096607.db2.gz OTWMPFUJEOXDRV-SECBINFHSA-N 0 1 389.365 3.410 20 0 GGADMN O=C([N-]CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000180884869 566096613 /nfs/dbraw/zinc/09/66/13/566096613.db2.gz OTWMPFUJEOXDRV-SECBINFHSA-N 0 1 389.365 3.410 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249316479 566100091 /nfs/dbraw/zinc/10/00/91/566100091.db2.gz FLUNTFKLTLVPFU-QWHCGFSZSA-N 0 1 388.339 3.097 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000249329615 566100686 /nfs/dbraw/zinc/10/06/86/566100686.db2.gz HKUFUPUAWGNWBP-DQYPLSBCSA-N 0 1 385.335 3.401 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n[nH]1 ZINC000180936074 566101104 /nfs/dbraw/zinc/10/11/04/566101104.db2.gz LWXRVJPCMCTNLE-VXGBXAGGSA-N 0 1 378.226 3.091 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)n[nH]1 ZINC000180933017 566101140 /nfs/dbraw/zinc/10/11/40/566101140.db2.gz DEQGMYFPTHMKLY-UHFFFAOYSA-N 0 1 395.188 3.222 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCN1CC(C)(C)O ZINC000249421301 566101186 /nfs/dbraw/zinc/10/11/86/566101186.db2.gz XDUHOMQROWEEDH-JLZZUVOBSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCN1CC(C)(C)O ZINC000249384010 566101403 /nfs/dbraw/zinc/10/14/03/566101403.db2.gz POPGDNFUZQZVMN-YUELXQCFSA-N 0 1 385.335 3.401 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000180936128 566101408 /nfs/dbraw/zinc/10/14/08/566101408.db2.gz LWXRVJPCMCTNLE-RYUDHWBXSA-N 0 1 378.226 3.091 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000249428355 566101840 /nfs/dbraw/zinc/10/18/40/566101840.db2.gz YNLPBAQMWCDGGZ-SNPRPXQTSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249434769 566102748 /nfs/dbraw/zinc/10/27/48/566102748.db2.gz ZWKJJYQLFYFFLW-CHWSQXEVSA-N 0 1 388.339 3.097 20 0 GGADMN O=C(c1ccc(Br)c(Cl)c1F)N1CCC(c2nc[nH]n2)CC1 ZINC000365464571 566102792 /nfs/dbraw/zinc/10/27/92/566102792.db2.gz UAECZWUNHNGMEQ-UHFFFAOYSA-N 0 1 387.640 3.380 20 0 GGADMN COc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)c(Br)c1 ZINC000289053715 566103058 /nfs/dbraw/zinc/10/30/58/566103058.db2.gz BNOUQEMCKFHLCF-YOEHRIQHSA-N 0 1 394.313 3.137 20 0 GGADMN COc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(Br)c1 ZINC000289036797 566103124 /nfs/dbraw/zinc/10/31/24/566103124.db2.gz BGFPJQWNLCSHJH-CQSZACIVSA-N 0 1 391.313 3.375 20 0 GGADMN OCC1(CN[C@@H](c2ccccc2)c2cc(Br)ccc2F)COC1 ZINC000180977756 566103141 /nfs/dbraw/zinc/10/31/41/566103141.db2.gz WVFNYNHLICEKBH-KRWDZBQOSA-N 0 1 380.257 3.276 20 0 GGADMN COc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(Br)c1 ZINC000289053713 566103237 /nfs/dbraw/zinc/10/32/37/566103237.db2.gz BNOUQEMCKFHLCF-WMLDXEAASA-N 0 1 394.313 3.137 20 0 GGADMN CS(=O)(=O)N1CCC[C@@H]1CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000181009556 566105485 /nfs/dbraw/zinc/10/54/85/566105485.db2.gz KPUHGQSJGQWTFB-RTBURBONSA-N 0 1 378.925 3.443 20 0 GGADMN O[C@]1(CN[C@@H](c2ccc(Br)cc2)c2ccccc2F)CCOC1 ZINC000181018639 566105839 /nfs/dbraw/zinc/10/58/39/566105839.db2.gz BXRIQHRWSVOBAP-ROUUACIJSA-N 0 1 380.257 3.419 20 0 GGADMN O[C@]1(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCOC1 ZINC000181019401 566106887 /nfs/dbraw/zinc/10/68/87/566106887.db2.gz IHRCFPAPKHTHQM-ROUUACIJSA-N 0 1 380.257 3.419 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000181027561 566107300 /nfs/dbraw/zinc/10/73/00/566107300.db2.gz WBFAQSJOVVJYGY-HIFRSBDPSA-N 0 1 384.864 3.034 20 0 GGADMN O[C@]1(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)CCOC1 ZINC000181019419 566107409 /nfs/dbraw/zinc/10/74/09/566107409.db2.gz IHRCFPAPKHTHQM-MSOLQXFVSA-N 0 1 380.257 3.419 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2n[nH]c(C)n2)cc1Br ZINC000289124539 566108147 /nfs/dbraw/zinc/10/81/47/566108147.db2.gz RUUCPSVVOPMBMI-RKDXNWHRSA-N 0 1 382.262 3.006 20 0 GGADMN CCSc1ccc(Cl)cc1NC(=O)N1CCN(C)C[C@H](C(=O)OC)C1 ZINC000416815221 566108686 /nfs/dbraw/zinc/10/86/86/566108686.db2.gz WFDPRYGVJUVEMQ-LBPRGKRZSA-N 0 1 385.917 3.021 20 0 GGADMN CCC[C@]1(CO)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000365626936 566110973 /nfs/dbraw/zinc/11/09/73/566110973.db2.gz YLIRXLYADQXYNY-SFHVURJKSA-N 0 1 392.297 3.464 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1-n1cnnn1 ZINC000181087495 566112115 /nfs/dbraw/zinc/11/21/15/566112115.db2.gz VKYBSUXPYSWCFR-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN Brc1ccc(CCNCc2ncc(C3OCCO3)s2)s1 ZINC000289234354 566112916 /nfs/dbraw/zinc/11/29/16/566112916.db2.gz KNTKJOAUKDCTMK-UHFFFAOYSA-N 0 1 375.313 3.345 20 0 GGADMN COc1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(SC)cc1OC ZINC000289264498 566114518 /nfs/dbraw/zinc/11/45/18/566114518.db2.gz FUZPOIYLBPATBB-STQMWFEESA-N 0 1 379.444 3.418 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(OC)c(O)c1Br ZINC000289273608 566114566 /nfs/dbraw/zinc/11/45/66/566114566.db2.gz GLGBESDGZGZQEM-ZDUSSCGKSA-N 0 1 385.302 3.044 20 0 GGADMN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(SC)cc1OC ZINC000289264495 566114762 /nfs/dbraw/zinc/11/47/62/566114762.db2.gz FUZPOIYLBPATBB-QWHCGFSZSA-N 0 1 379.444 3.418 20 0 GGADMN CC(=O)Nc1ccc(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c(Cl)c1 ZINC000416940702 566115067 /nfs/dbraw/zinc/11/50/67/566115067.db2.gz PKHAGOYJHPYJCM-SNVBAGLBSA-N 0 1 382.873 3.193 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000289271280 566115220 /nfs/dbraw/zinc/11/52/20/566115220.db2.gz RQBJUFLMBSWEDN-IUCAKERBSA-N 0 1 384.253 3.006 20 0 GGADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000252656593 566115273 /nfs/dbraw/zinc/11/52/73/566115273.db2.gz KIWQQWFSFGFINY-SWLSCSKDSA-N 0 1 376.298 3.487 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cn1 ZINC000181124543 566116846 /nfs/dbraw/zinc/11/68/46/566116846.db2.gz CRXBCBWEDBUCBY-UHFFFAOYSA-N 0 1 375.372 3.255 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000252734903 566116967 /nfs/dbraw/zinc/11/69/67/566116967.db2.gz FFGBBLGAGRUPOV-OAGGEKHMSA-N 0 1 397.357 3.243 20 0 GGADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000289332482 566117174 /nfs/dbraw/zinc/11/71/74/566117174.db2.gz YJWASQFDIYXYQY-LSDHHAIUSA-N 0 1 390.285 3.395 20 0 GGADMN CC(C)[C@@H](N[C@H](C)CC(=O)Nc1cccc(Br)c1)c1nncn1C ZINC000289386858 566119794 /nfs/dbraw/zinc/11/97/94/566119794.db2.gz NBGRVUQSNGBYEN-MLGOLLRUSA-N 0 1 394.317 3.282 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)c(C)c1F ZINC000181153227 566120444 /nfs/dbraw/zinc/12/04/44/566120444.db2.gz WIAKNDRYFGSUMB-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN O[C@@H](COCc1cccs1)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000181156144 566120449 /nfs/dbraw/zinc/12/04/49/566120449.db2.gz WKMSQINJFTZKDX-ZDUSSCGKSA-N 0 1 383.445 3.481 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000181178850 566121416 /nfs/dbraw/zinc/12/14/16/566121416.db2.gz BOBKCZWXSMSPIO-XHDPSFHLSA-N 0 1 395.276 3.168 20 0 GGADMN Cc1nc(CN2CCN(CC/C=C\c3ccc(Br)cc3)CC2)no1 ZINC000255679651 566122317 /nfs/dbraw/zinc/12/23/17/566122317.db2.gz UQKBITOMKLHYNQ-RQOWECAXSA-N 0 1 391.313 3.362 20 0 GGADMN C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000289435206 566122418 /nfs/dbraw/zinc/12/24/18/566122418.db2.gz SNICRTBYORBJKS-XPTSAGLGSA-N 0 1 383.436 3.088 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H](c1ccccc1)C1CCOCC1 ZINC000365847457 566122873 /nfs/dbraw/zinc/12/28/73/566122873.db2.gz YNXIVZJFRYBMKZ-CQSZACIVSA-N 0 1 381.548 3.203 20 0 GGADMN C[C@@H](Oc1ccccc1Br)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181192931 566122966 /nfs/dbraw/zinc/12/29/66/566122966.db2.gz HTDNLGOHWFKYFX-YPMHNXCESA-N 0 1 379.258 3.088 20 0 GGADMN C[C@@H](Oc1ccccc1Br)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181192771 566123125 /nfs/dbraw/zinc/12/31/25/566123125.db2.gz HTDNLGOHWFKYFX-DGCLKSJQSA-N 0 1 379.258 3.088 20 0 GGADMN CC(C)[C@H](CNc1ncnc2ccc(Br)cc21)N1CCOCC1 ZINC000261374092 566123797 /nfs/dbraw/zinc/12/37/97/566123797.db2.gz PSDQDZGTMHGDGE-INIZCTEOSA-N 0 1 379.302 3.161 20 0 GGADMN Cc1ccc(CCC(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)s1 ZINC000365888118 566124871 /nfs/dbraw/zinc/12/48/71/566124871.db2.gz KDBNSOFROHLFME-HNNXBMFYSA-N 0 1 379.848 3.201 20 0 GGADMN COc1cccc2c1CC[C@@H]2NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261619436 566125058 /nfs/dbraw/zinc/12/50/58/566125058.db2.gz ARKCVXWJOWRQHO-LPHOPBHVSA-N 0 1 389.293 3.435 20 0 GGADMN C[C@@](N)(C(=O)N1CCc2c(F)ccc(F)c2C1)c1ccc(Br)cc1 ZINC000261617958 566125379 /nfs/dbraw/zinc/12/53/79/566125379.db2.gz AMKDUNBCXZEAPK-SFHVURJKSA-N 0 1 395.247 3.486 20 0 GGADMN Cc1cc(CCC(=O)N2CCC(c3nc[nH]n3)CC2)ccc1Br ZINC000365909927 566125911 /nfs/dbraw/zinc/12/59/11/566125911.db2.gz MMBAWTXQGFPXCC-UHFFFAOYSA-N 0 1 377.286 3.214 20 0 GGADMN C[C@](N)(C(=O)Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000261629286 566125884 /nfs/dbraw/zinc/12/58/84/566125884.db2.gz BOMUGDSGXTYJNN-GOSISDBHSA-N 0 1 389.297 3.257 20 0 GGADMN C[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000261633298 566126110 /nfs/dbraw/zinc/12/61/10/566126110.db2.gz BYECIRXRAZDANR-KPZWWZAWSA-N 0 1 395.272 3.346 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000365914435 566126687 /nfs/dbraw/zinc/12/66/87/566126687.db2.gz UIZFDWGUNAKRBB-LSDHHAIUSA-N 0 1 375.270 3.077 20 0 GGADMN CCOc1ccccc1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261661611 566127528 /nfs/dbraw/zinc/12/75/28/566127528.db2.gz FGEANNUGRKESFK-GOSISDBHSA-N 0 1 377.282 3.338 20 0 GGADMN CC(C)(C)c1nnc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000261643605 566127768 /nfs/dbraw/zinc/12/77/68/566127768.db2.gz CVQUSJWTRJJKPC-MRXNPFEDSA-N 0 1 397.342 3.088 20 0 GGADMN CN(C)c1cccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000261651647 566127793 /nfs/dbraw/zinc/12/77/93/566127793.db2.gz DMWBXKJXXRAXIL-SFHVURJKSA-N 0 1 376.298 3.005 20 0 GGADMN COCc1ccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261641521 566127898 /nfs/dbraw/zinc/12/78/98/566127898.db2.gz CPBWEIGBSXLQPF-GOSISDBHSA-N 0 1 377.282 3.086 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)s1 ZINC000261639431 566128139 /nfs/dbraw/zinc/12/81/39/566128139.db2.gz CLNWPICPZUFDMA-HNNXBMFYSA-N 0 1 383.315 3.411 20 0 GGADMN CSc1cc2c(cc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1)OCCO2 ZINC000289552926 566128367 /nfs/dbraw/zinc/12/83/67/566128367.db2.gz IQOFHLIRYQOAJR-STQMWFEESA-N 0 1 377.428 3.172 20 0 GGADMN CO[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)c1ccccc1 ZINC000261702282 566129024 /nfs/dbraw/zinc/12/90/24/566129024.db2.gz INQPRTCEPZVGDD-FUHWJXTLSA-N 0 1 377.282 3.127 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1Br ZINC000261710882 566130396 /nfs/dbraw/zinc/13/03/96/566130396.db2.gz LBAMNURQOPNAJM-GLQYFDAESA-N 0 1 381.270 3.105 20 0 GGADMN CCCO[C@H]1CCCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261724864 566130723 /nfs/dbraw/zinc/13/07/23/566130723.db2.gz KLHQAOGQUDKVNS-WMZOPIPTSA-N 0 1 383.330 3.431 20 0 GGADMN Cc1noc(C)c1C[C@H](C)NCc1cn(-c2ccccc2Br)nn1 ZINC000289615962 566131688 /nfs/dbraw/zinc/13/16/88/566131688.db2.gz VYGJFTHRMFHCAJ-NSHDSACASA-N 0 1 390.285 3.355 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)[C@@H](NCc1cccc(Br)c1)CCC2 ZINC000289608057 566131697 /nfs/dbraw/zinc/13/16/97/566131697.db2.gz GGLRPBJUXSCIIT-KRWDZBQOSA-N 0 1 395.322 3.264 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000261748406 566131852 /nfs/dbraw/zinc/13/18/52/566131852.db2.gz UMWUKWFGKBUMJR-LKTVYLICSA-N 0 1 399.260 3.244 20 0 GGADMN Cc1ccccc1OCCNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261735452 566131942 /nfs/dbraw/zinc/13/19/42/566131942.db2.gz LJGKAXQVSWQJAT-GOSISDBHSA-N 0 1 377.282 3.127 20 0 GGADMN COCCOc1ccc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261752809 566132320 /nfs/dbraw/zinc/13/23/20/566132320.db2.gz MWCNEJWWWHRBBP-GOSISDBHSA-N 0 1 393.281 3.287 20 0 GGADMN CN1CCN(CCCSc2nnc(NCc3ccc(F)cc3)s2)CC1 ZINC000181315303 566132534 /nfs/dbraw/zinc/13/25/34/566132534.db2.gz YSAAJYMMSUTFGJ-UHFFFAOYSA-N 0 1 381.546 3.019 20 0 GGADMN CCOc1cccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000261783540 566133141 /nfs/dbraw/zinc/13/31/41/566133141.db2.gz POODMOAJKBFTTO-GOSISDBHSA-N 0 1 377.282 3.338 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000261781902 566133275 /nfs/dbraw/zinc/13/32/75/566133275.db2.gz RXLQEJDUOAKLKX-GOSISDBHSA-N 0 1 377.282 3.290 20 0 GGADMN CCOc1cccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000261783544 566133311 /nfs/dbraw/zinc/13/33/11/566133311.db2.gz POODMOAJKBFTTO-SFHVURJKSA-N 0 1 377.282 3.338 20 0 GGADMN Nc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000261764406 566133326 /nfs/dbraw/zinc/13/33/26/566133326.db2.gz YFVLGSSGOOHPEM-CQSZACIVSA-N 0 1 389.297 3.277 20 0 GGADMN Brc1cc2c(c(CNCc3ccc(Cn4cncn4)cc3)c1)OCC2 ZINC000289672225 566133634 /nfs/dbraw/zinc/13/36/34/566133634.db2.gz MKQYTWJBUWNTOX-UHFFFAOYSA-N 0 1 399.292 3.314 20 0 GGADMN C[C@@H](NC(=O)c1ccc(Br)s1)c1nc(C2(N)CCCC2)no1 ZINC000261779358 566133661 /nfs/dbraw/zinc/13/36/61/566133661.db2.gz NSUVPYNHSQCCGN-MRVPVSSYSA-N 0 1 385.287 3.113 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC000366092934 566135773 /nfs/dbraw/zinc/13/57/73/566135773.db2.gz GEFACEVFLVWJMB-UHFFFAOYSA-N 0 1 375.270 3.358 20 0 GGADMN CN1CCCN(C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000181361273 566136077 /nfs/dbraw/zinc/13/60/77/566136077.db2.gz JEZURYUHTHMCAL-UHFFFAOYSA-N 0 1 391.107 3.381 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000366136215 566136665 /nfs/dbraw/zinc/13/66/65/566136665.db2.gz CFVODGJUSBWYRL-AWEZNQCLSA-N 0 1 386.355 3.237 20 0 GGADMN C[C@](N)(C(=O)NCc1nc(C2CC2)cs1)c1ccc(Br)cc1 ZINC000261866642 566137105 /nfs/dbraw/zinc/13/71/05/566137105.db2.gz RXPSRHDLAXQRKG-MRXNPFEDSA-N 0 1 380.311 3.273 20 0 GGADMN Cc1nc(CCNC(=O)[C@](C)(N)c2ccc(Br)cc2)sc1C ZINC000261848764 566137361 /nfs/dbraw/zinc/13/73/61/566137361.db2.gz VQNDITGLKDHJFN-MRXNPFEDSA-N 0 1 382.327 3.055 20 0 GGADMN C[C@@](N)(C(=O)NCc1nc(C2CC2)cs1)c1ccc(Br)cc1 ZINC000261866640 566137372 /nfs/dbraw/zinc/13/73/72/566137372.db2.gz RXPSRHDLAXQRKG-INIZCTEOSA-N 0 1 380.311 3.273 20 0 GGADMN Cc1nc(CCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)sc1C ZINC000261848758 566137715 /nfs/dbraw/zinc/13/77/15/566137715.db2.gz VQNDITGLKDHJFN-INIZCTEOSA-N 0 1 382.327 3.055 20 0 GGADMN C[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)Oc1ccccc1F ZINC000261884886 566138662 /nfs/dbraw/zinc/13/86/62/566138662.db2.gz ZMHMBFSUKAQPRX-KPZWWZAWSA-N 0 1 395.272 3.346 20 0 GGADMN CO[C@@H](C)c1nc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cs1 ZINC000261872252 566139048 /nfs/dbraw/zinc/13/90/48/566139048.db2.gz SKANXFOYUYPOPW-QFYYESIMSA-N 0 1 398.326 3.103 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2ccccc2CS(C)(=O)=O)s1 ZINC000181431079 566139540 /nfs/dbraw/zinc/13/95/40/566139540.db2.gz AKYQNVBDEYTCKB-CYBMUJFWSA-N 0 1 382.551 3.036 20 0 GGADMN C[C@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1ccccc1F ZINC000261884893 566139523 /nfs/dbraw/zinc/13/95/23/566139523.db2.gz ZMHMBFSUKAQPRX-XIKOKIGWSA-N 0 1 395.272 3.346 20 0 GGADMN Cc1ccc(OCCNC(=O)[C@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261931046 566140679 /nfs/dbraw/zinc/14/06/79/566140679.db2.gz BISSDHOOHWJKRC-GOSISDBHSA-N 0 1 377.282 3.127 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000181457736 566141547 /nfs/dbraw/zinc/14/15/47/566141547.db2.gz QALKBUWXAUZMRS-CYBMUJFWSA-N 0 1 393.329 3.178 20 0 GGADMN COc1cccc(CN(C)C(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000261962283 566141683 /nfs/dbraw/zinc/14/16/83/566141683.db2.gz KNJRECNFXIBWDY-SFHVURJKSA-N 0 1 377.282 3.290 20 0 GGADMN COc1cccc(CN(C)C(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000261962281 566142289 /nfs/dbraw/zinc/14/22/89/566142289.db2.gz KNJRECNFXIBWDY-GOSISDBHSA-N 0 1 377.282 3.290 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000181466120 566143441 /nfs/dbraw/zinc/14/34/41/566143441.db2.gz HGHCBRPBPWZSOG-QRTARXTBSA-N 0 1 383.330 3.109 20 0 GGADMN CCSc1nnc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)s1 ZINC000262009044 566144453 /nfs/dbraw/zinc/14/44/53/566144453.db2.gz WDSLOSXVBQGKAB-ZDUSSCGKSA-N 0 1 387.328 3.225 20 0 GGADMN C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1cnc2ccsc2c1 ZINC000181501117 566144701 /nfs/dbraw/zinc/14/47/01/566144701.db2.gz HAFVPBAFABIGBC-LBPRGKRZSA-N 0 1 381.548 3.329 20 0 GGADMN C[C@](N)(C(=O)N[C@H]1CCOc2ccccc21)c1ccc(Br)cc1 ZINC000262024339 566144671 /nfs/dbraw/zinc/14/46/71/566144671.db2.gz ZJNRNQOJKXUSIZ-MAUKXSAKSA-N 0 1 375.266 3.263 20 0 GGADMN Cc1sc([C@@H](C)NC(=O)C[C@@H]2COCCN2)nc1-c1ccc(Cl)cc1 ZINC000262030139 566144746 /nfs/dbraw/zinc/14/47/46/566144746.db2.gz AIPGZACDBUAVFM-IAQYHMDHSA-N 0 1 379.913 3.328 20 0 GGADMN Cc1sc([C@H](C)NC(=O)C[C@H]2COCCN2)nc1-c1ccc(Cl)cc1 ZINC000262030141 566144842 /nfs/dbraw/zinc/14/48/42/566144842.db2.gz AIPGZACDBUAVFM-NHYWBVRUSA-N 0 1 379.913 3.328 20 0 GGADMN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000262022545 566144869 /nfs/dbraw/zinc/14/48/69/566144869.db2.gz ZCDCJJUHANNQSR-GOSISDBHSA-N 0 1 391.265 3.010 20 0 GGADMN CC(C)n1cc(CNC2CCN(Cc3ccc(Br)cc3)CC2)nn1 ZINC000289879033 566145031 /nfs/dbraw/zinc/14/50/31/566145031.db2.gz XAIRUSHRSHTTCJ-UHFFFAOYSA-N 0 1 392.345 3.376 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccccc2OC(F)F)s1 ZINC000181509981 566145303 /nfs/dbraw/zinc/14/53/03/566145303.db2.gz AZRLJHQJIYGRDV-GFCCVEGCSA-N 0 1 390.477 3.287 20 0 GGADMN C[C@H](NCCN1CCNC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000289875312 566145843 /nfs/dbraw/zinc/14/58/43/566145843.db2.gz LVDHFDMGUVIXRP-NSHDSACASA-N 0 1 395.326 3.248 20 0 GGADMN Clc1cc(Cl)c2nc(-c3nc([C@@H]4CN5CCC[C@@H]5CO4)no3)cn2c1 ZINC000289903970 566146287 /nfs/dbraw/zinc/14/62/87/566146287.db2.gz WPUKBMUKFJMTLP-MFKMUULPSA-N 0 1 380.235 3.227 20 0 GGADMN 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COc1ccccc1[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccco1 ZINC000366489426 566155115 /nfs/dbraw/zinc/15/51/15/566155115.db2.gz LZZRQHKGPUDNOF-CQSZACIVSA-N 0 1 393.515 3.426 20 0 GGADMN CC(C)n1cc(CNCCCOc2ncc(C(F)(F)F)cc2Cl)nn1 ZINC000290062067 566155112 /nfs/dbraw/zinc/15/51/12/566155112.db2.gz HJNKQJOYHSTFLL-UHFFFAOYSA-N 0 1 377.798 3.485 20 0 GGADMN C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000181640550 566155099 /nfs/dbraw/zinc/15/50/99/566155099.db2.gz YJAPOJPEWHOSMB-SMDDNHRTSA-N 0 1 393.452 3.252 20 0 GGADMN COc1cc(F)c(Br)cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000417552931 566155176 /nfs/dbraw/zinc/15/51/76/566155176.db2.gz FNPZUFCYUAHQGA-UHFFFAOYSA-N 0 1 386.265 3.156 20 0 GGADMN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181637524 566155303 /nfs/dbraw/zinc/15/53/03/566155303.db2.gz WAZAMSHQLLPSMA-KGLIPLIRSA-N 0 1 379.503 3.288 20 0 GGADMN Cc1nc(C(C)C)sc1[C@@H](C)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181637785 566155349 /nfs/dbraw/zinc/15/53/49/566155349.db2.gz DIAQYNQFQOWIKB-YPMHNXCESA-N 0 1 388.580 3.122 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000262647166 566156583 /nfs/dbraw/zinc/15/65/83/566156583.db2.gz KKQPIFOCUKTZRG-FUHWJXTLSA-N 0 1 388.309 3.152 20 0 GGADMN Cc1ccc([C@H](N)C(=O)NC[C@@H](C)Oc2ccccc2Br)cc1 ZINC000262670189 566156999 /nfs/dbraw/zinc/15/69/99/566156999.db2.gz RICLZRZVFGMFPB-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN COc1cc(Br)c(CNC(=O)[C@@H](N)c2ccc(C)cc2)cc1OC ZINC000262672169 566157568 /nfs/dbraw/zinc/15/75/68/566157568.db2.gz SAVISIGBBZAHEJ-KRWDZBQOSA-N 0 1 393.281 3.091 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000262684783 566157703 /nfs/dbraw/zinc/15/77/03/566157703.db2.gz BVNULVTYZGHHIH-DZYMPVBWSA-N 0 1 385.291 3.151 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)NC[C@@H](C)Oc2cccc(Br)c2)cc1 ZINC000262675491 566157835 /nfs/dbraw/zinc/15/78/35/566157835.db2.gz UADUHSVJCFVTGN-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262700774 566158077 /nfs/dbraw/zinc/15/80/77/566158077.db2.gz YVJGBDCXLJOAHL-NXEZZACHSA-N 0 1 378.778 3.482 20 0 GGADMN COC(=O)c1cc(Br)cc(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1C ZINC000417564123 566158586 /nfs/dbraw/zinc/15/85/86/566158586.db2.gz IBPLCVNJVBNKNQ-NSHDSACASA-N 0 1 398.301 3.102 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262734715 566159161 /nfs/dbraw/zinc/15/91/61/566159161.db2.gz BOGJERSIURCDIZ-CQSZACIVSA-N 0 1 387.307 3.324 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000262735688 566159221 /nfs/dbraw/zinc/15/92/21/566159221.db2.gz VLPIREQIVBMEQA-QGLTVNCISA-N 0 1 387.307 3.226 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000262747416 566160078 /nfs/dbraw/zinc/16/00/78/566160078.db2.gz AQURJUARCYGVEM-PSLIRLAXSA-N 0 1 378.778 3.482 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCCC[C@H]1c1nnc[nH]1 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GGADMN Cn1cc([C@@H](CO)N[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)cn1 ZINC000290313222 566167336 /nfs/dbraw/zinc/16/73/36/566167336.db2.gz NUULFESUTKZORE-IAGOWNOFSA-N 0 1 389.297 3.365 20 0 GGADMN C[NH+](C)[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000290311839 566167391 /nfs/dbraw/zinc/16/73/91/566167391.db2.gz ANIONOZLPIOAKV-GFCCVEGCSA-N 0 1 392.297 3.259 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)c1ccccc1 ZINC000262961819 566167672 /nfs/dbraw/zinc/16/76/72/566167672.db2.gz WQNSMCRCPRNJMV-DNVCBOLYSA-N 0 1 388.309 3.018 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000290356896 566168715 /nfs/dbraw/zinc/16/87/15/566168715.db2.gz QNJALQOBMQLDAB-ACJLOTCBSA-N 0 1 382.913 3.286 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263011026 566169152 /nfs/dbraw/zinc/16/91/52/566169152.db2.gz BUCWVESHMSZGLV-GXTWGEPZSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263011032 566169528 /nfs/dbraw/zinc/16/95/28/566169528.db2.gz BUCWVESHMSZGLV-TZMCWYRMSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262999687 566169679 /nfs/dbraw/zinc/16/96/79/566169679.db2.gz ORJYQEWSRNLVCQ-MVWJERBFSA-N 0 1 378.778 3.170 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262999687 566169683 /nfs/dbraw/zinc/16/96/83/566169683.db2.gz ORJYQEWSRNLVCQ-MVWJERBFSA-N 0 1 378.778 3.170 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263021776 566170603 /nfs/dbraw/zinc/17/06/03/566170603.db2.gz QZHFWBWAPJPRKG-HBNTYKKESA-N 0 1 378.778 3.170 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263021776 566170610 /nfs/dbraw/zinc/17/06/10/566170610.db2.gz QZHFWBWAPJPRKG-HBNTYKKESA-N 0 1 378.778 3.170 20 0 GGADMN CCN(CCCc1ccc(Br)cc1OC)[C@H](C)CS(C)(=O)=O ZINC000181877392 566170887 /nfs/dbraw/zinc/17/08/87/566170887.db2.gz DFHXFRSKMBUZPY-CYBMUJFWSA-N 0 1 392.359 3.145 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000263014728 566171064 /nfs/dbraw/zinc/17/10/64/566171064.db2.gz NYZNXLMRRIPBND-AWEZNQCLSA-N 0 1 388.295 3.074 20 0 GGADMN COc1cc(Br)ccc1CCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000181881292 566171172 /nfs/dbraw/zinc/17/11/72/566171172.db2.gz ZPDURUPSZKVETG-CHWSQXEVSA-N 0 1 392.359 3.144 20 0 GGADMN Fc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(I)c1 ZINC000417696564 566171590 /nfs/dbraw/zinc/17/15/90/566171590.db2.gz HDEQRCBNNRTPCZ-NSHDSACASA-N 0 1 375.225 3.431 20 0 GGADMN Cc1nc(Cl)c(Cl)cc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000290430872 566171929 /nfs/dbraw/zinc/17/19/29/566171929.db2.gz SKXUXOPQTSCIFJ-VIFPVBQESA-N 0 1 398.212 3.228 20 0 GGADMN CC(C)S(=O)(=O)CCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000290450396 566172766 /nfs/dbraw/zinc/17/27/66/566172766.db2.gz VZCDJIJEDUBFQJ-CQSZACIVSA-N 0 1 376.316 3.076 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000263120534 566174221 /nfs/dbraw/zinc/17/42/21/566174221.db2.gz LZKAPURARIBQIA-CYBMUJFWSA-N 0 1 383.286 3.355 20 0 GGADMN Cc1cc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)n(C)n1 ZINC000417745673 566174478 /nfs/dbraw/zinc/17/44/78/566174478.db2.gz FYBOEGSLDORJLH-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN CC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(F)cc(Br)c1 ZINC000181972725 566175971 /nfs/dbraw/zinc/17/59/71/566175971.db2.gz NPJKXUQNJMHWQH-CVEARBPZSA-N 0 1 395.276 3.168 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000263177465 566176588 /nfs/dbraw/zinc/17/65/88/566176588.db2.gz SXCFCGVSWMRSRQ-ZDUSSCGKSA-N 0 1 383.286 3.355 20 0 GGADMN CC(=O)Nc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000182022021 566177901 /nfs/dbraw/zinc/17/79/01/566177901.db2.gz PGEUSKUAJSAQPK-ZDUSSCGKSA-N 0 1 380.897 3.423 20 0 GGADMN C[C@H](COCC(F)(F)F)NCc1ccc(F)cc1I ZINC000417884413 566178804 /nfs/dbraw/zinc/17/88/04/566178804.db2.gz IGXMXPNFZBZKDR-MRVPVSSYSA-N 0 1 391.146 3.487 20 0 GGADMN C[C@H](NC(=O)N1CCNCC1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000417899114 566179041 /nfs/dbraw/zinc/17/90/41/566179041.db2.gz KMMAQTFMBFMYEC-NSHDSACASA-N 0 1 395.326 3.248 20 0 GGADMN COc1cc(Br)ccc1CCCN1CCOC2(CCOCC2)C1 ZINC000182036973 566179230 /nfs/dbraw/zinc/17/92/30/566179230.db2.gz BLDIRSHVQXLUSI-UHFFFAOYSA-N 0 1 384.314 3.272 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000366967127 566179501 /nfs/dbraw/zinc/17/95/01/566179501.db2.gz UUANMLSXTAUOKQ-WOVYWWTOSA-N 0 1 388.309 3.432 20 0 GGADMN COc1ccc(CNCc2ccccc2C(=O)N(C)C)cc1Br ZINC000417887390 566179729 /nfs/dbraw/zinc/17/97/29/566179729.db2.gz KPQIYPRWTJGSJQ-UHFFFAOYSA-N 0 1 377.282 3.449 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000263311129 566181037 /nfs/dbraw/zinc/18/10/37/566181037.db2.gz HYZGVZLBTKJCPZ-VHSXEESVSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000263311129 566181041 /nfs/dbraw/zinc/18/10/41/566181041.db2.gz HYZGVZLBTKJCPZ-VHSXEESVSA-N 0 1 389.677 3.084 20 0 GGADMN CN(CCNCc1ccc(F)cc1I)CC(F)(F)F ZINC000417925025 566181338 /nfs/dbraw/zinc/18/13/38/566181338.db2.gz XXMYCOPPKMUCIY-UHFFFAOYSA-N 0 1 390.162 3.014 20 0 GGADMN O[C@@H](CNCc1ccc(F)cc1I)Cc1ccccc1 ZINC000417908020 566181723 /nfs/dbraw/zinc/18/17/23/566181723.db2.gz HVEDQFGGJSTHAM-OAHLLOKOSA-N 0 1 385.220 3.124 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000263375226 566182700 /nfs/dbraw/zinc/18/27/00/566182700.db2.gz WLYUTYYTILOOQV-SNVBAGLBSA-N 0 1 381.885 3.363 20 0 GGADMN COc1ccc([C@@H](C)NCC(=O)N(C)c2nccs2)cc1Br ZINC000182094186 566182673 /nfs/dbraw/zinc/18/26/73/566182673.db2.gz UGAXONCEACISEX-SNVBAGLBSA-N 0 1 384.299 3.228 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc(Br)c1OC(F)F ZINC000263376844 566182808 /nfs/dbraw/zinc/18/28/08/566182808.db2.gz AUMUZRBVVOOFCJ-JTQLQIEISA-N 0 1 394.212 3.356 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000263386781 566183169 /nfs/dbraw/zinc/18/31/69/566183169.db2.gz YETGVANQSHCRIN-OCCSQVGLSA-N 0 1 378.270 3.320 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)[O-] ZINC000263359794 566183203 /nfs/dbraw/zinc/18/32/03/566183203.db2.gz RRRYAXYBEWLPDY-QMMMGPOBSA-N 0 1 397.191 3.059 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000263386780 566183518 /nfs/dbraw/zinc/18/35/18/566183518.db2.gz YETGVANQSHCRIN-JSGCOSHPSA-N 0 1 378.270 3.320 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000263405883 566183882 /nfs/dbraw/zinc/18/38/82/566183882.db2.gz JQXLEXSWFIBTQY-UHFFFAOYSA-N 0 1 382.201 3.356 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000263399886 566183936 /nfs/dbraw/zinc/18/39/36/566183936.db2.gz ZWEPLRHWWKFYEG-UWVGGRQHSA-N 0 1 378.778 3.340 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263407064 566184035 /nfs/dbraw/zinc/18/40/35/566184035.db2.gz KFXAXMLYGRRCST-ZDUSSCGKSA-N 0 1 378.270 3.240 20 0 GGADMN Nc1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263393774 566184079 /nfs/dbraw/zinc/18/40/79/566184079.db2.gz FXVGHROPXRYVPI-QMMMGPOBSA-N 0 1 392.091 3.090 20 0 GGADMN Nc1c(Br)cc(Br)cc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263393774 566184084 /nfs/dbraw/zinc/18/40/84/566184084.db2.gz FXVGHROPXRYVPI-QMMMGPOBSA-N 0 1 392.091 3.090 20 0 GGADMN CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc(Br)c1OC(F)F ZINC000263396846 566184402 /nfs/dbraw/zinc/18/44/02/566184402.db2.gz GYLRHIKDAWJXJF-MRVPVSSYSA-N 0 1 382.201 3.354 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000263405472 566184448 /nfs/dbraw/zinc/18/44/48/566184448.db2.gz JNKOQSPDIZBTKB-ZDUSSCGKSA-N 0 1 378.270 3.158 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263405471 566184598 /nfs/dbraw/zinc/18/45/98/566184598.db2.gz JNKOQSPDIZBTKB-CYBMUJFWSA-N 0 1 378.270 3.158 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2Br)CC1 ZINC000263467794 566185543 /nfs/dbraw/zinc/18/55/43/566185543.db2.gz CYVHPGUICKJTDZ-AWEZNQCLSA-N 0 1 389.721 3.473 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2Br)CC1 ZINC000263467796 566186044 /nfs/dbraw/zinc/18/60/44/566186044.db2.gz CYVHPGUICKJTDZ-CQSZACIVSA-N 0 1 389.721 3.473 20 0 GGADMN C[C@@]1(NCc2ccc(F)cc2I)CCO[C@H]1C1CC1 ZINC000417979498 566186554 /nfs/dbraw/zinc/18/65/54/566186554.db2.gz FWKLANWQOYVTBK-LSDHHAIUSA-N 0 1 375.225 3.478 20 0 GGADMN CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000263504380 566186597 /nfs/dbraw/zinc/18/65/97/566186597.db2.gz LOUIDUZKRBQQKH-KRWDZBQOSA-N 0 1 386.286 3.161 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2csc(-c3ccsc3)n2)C1 ZINC000263481170 566186814 /nfs/dbraw/zinc/18/68/14/566186814.db2.gz GJEHPXQZAQHCQZ-UHFFFAOYSA-N 0 1 377.535 3.289 20 0 GGADMN C[C@H](CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1)c1cccc(Br)c1 ZINC000263480421 566186854 /nfs/dbraw/zinc/18/68/54/566186854.db2.gz GELVUJDNIWLISO-RHSMWYFYSA-N 0 1 383.330 3.424 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000263501222 566186974 /nfs/dbraw/zinc/18/69/74/566186974.db2.gz KVRNGDQFCJWZJM-UHFFFAOYSA-N 0 1 385.291 3.250 20 0 GGADMN Cc1cc(Br)c(CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)s1 ZINC000263482311 566186996 /nfs/dbraw/zinc/18/69/96/566186996.db2.gz GNUKNQYXESIUEB-GFCCVEGCSA-N 0 1 375.332 3.190 20 0 GGADMN CN(C)c1cc(Cl)cc(Cl)c1CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263488124 566187234 /nfs/dbraw/zinc/18/72/34/566187234.db2.gz HVTKASRDAQNPSW-CQSZACIVSA-N 0 1 388.339 3.430 20 0 GGADMN C[C@@H](CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1)c1cccc(Br)c1 ZINC000263480427 566187596 /nfs/dbraw/zinc/18/75/96/566187596.db2.gz GELVUJDNIWLISO-YOEHRIQHSA-N 0 1 383.330 3.424 20 0 GGADMN C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(Br)nc1 ZINC000290754021 566187888 /nfs/dbraw/zinc/18/78/88/566187888.db2.gz QZVVCEPQNBFPPS-GFCCVEGCSA-N 0 1 383.311 3.240 20 0 GGADMN CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290767692 566188035 /nfs/dbraw/zinc/18/80/35/566188035.db2.gz IPSIUQIYJMOGKO-LBPRGKRZSA-N 0 1 392.297 3.117 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290767692 566188040 /nfs/dbraw/zinc/18/80/40/566188040.db2.gz IPSIUQIYJMOGKO-LBPRGKRZSA-N 0 1 392.297 3.117 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NCc2cc(Cl)c(C)cc2Br)C1 ZINC000263525212 566188799 /nfs/dbraw/zinc/18/87/99/566188799.db2.gz SXFPFRKIQQOTEA-UHFFFAOYSA-N 0 1 389.721 3.438 20 0 GGADMN CCOc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc(Cl)c1OC ZINC000263527786 566188975 /nfs/dbraw/zinc/18/89/75/566188975.db2.gz UWBUUGXKKZKHSV-GHMZBOCLSA-N 0 1 381.778 3.442 20 0 GGADMN CCOc1cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc(Cl)c1OC ZINC000263527786 566188978 /nfs/dbraw/zinc/18/89/78/566188978.db2.gz UWBUUGXKKZKHSV-GHMZBOCLSA-N 0 1 381.778 3.442 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2cc(F)cc(Br)c2)C1 ZINC000263535803 566189024 /nfs/dbraw/zinc/18/90/24/566189024.db2.gz ZCRYVJLKZWWARP-UHFFFAOYSA-N 0 1 385.277 3.005 20 0 GGADMN CSc1cc(Br)ccc1CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000263524457 566189312 /nfs/dbraw/zinc/18/93/12/566189312.db2.gz SPYMRQZAWQFXDV-UHFFFAOYSA-N 0 1 387.343 3.152 20 0 GGADMN O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CCCc2n[nH]nc21 ZINC000613242750 566189325 /nfs/dbraw/zinc/18/93/25/566189325.db2.gz CQANJRUNTPPRJQ-JTQLQIEISA-N 0 1 377.235 3.356 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)CCN1 ZINC000418017862 566189804 /nfs/dbraw/zinc/18/98/04/566189804.db2.gz HUBWIHZRPUTKFC-MFKMUULPSA-N 0 1 394.235 3.446 20 0 GGADMN O=C(N[C@@H](CC(F)(F)F)c1ccc(Br)cc1)N1CCNCC1 ZINC000418022926 566190328 /nfs/dbraw/zinc/19/03/28/566190328.db2.gz RSSLXARNOMYVRJ-LBPRGKRZSA-N 0 1 380.208 3.057 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000263550329 566190677 /nfs/dbraw/zinc/19/06/77/566190677.db2.gz KGXRSXXAWUQRLF-AWEZNQCLSA-N 0 1 392.297 3.373 20 0 GGADMN C[C@H]1CNCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000418028703 566191066 /nfs/dbraw/zinc/19/10/66/566191066.db2.gz YPITXVUODWWYHO-GXFFZTMASA-N 0 1 394.235 3.446 20 0 GGADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000263578072 566191329 /nfs/dbraw/zinc/19/13/29/566191329.db2.gz SFSKRZFJCXGEDR-HNNXBMFYSA-N 0 1 376.254 3.345 20 0 GGADMN O=c1[nH]c(N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2[nH]ncc21 ZINC000290833333 566191346 /nfs/dbraw/zinc/19/13/46/566191346.db2.gz UVECYXWAFIREDR-SNVBAGLBSA-N 0 1 380.235 3.413 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000263577794 566191371 /nfs/dbraw/zinc/19/13/71/566191371.db2.gz RWIZERLSSZVHQP-KRWDZBQOSA-N 0 1 376.254 3.203 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)nc1-c1ccc(Cl)cc1 ZINC000263582117 566191937 /nfs/dbraw/zinc/19/19/37/566191937.db2.gz YDEOKXWZGMZDQY-GFCCVEGCSA-N 0 1 379.869 3.117 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)nc1-c1ccc(Cl)cc1 ZINC000263582117 566191941 /nfs/dbraw/zinc/19/19/41/566191941.db2.gz YDEOKXWZGMZDQY-GFCCVEGCSA-N 0 1 379.869 3.117 20 0 GGADMN CC1(C)[C@H](NCc2ncc(I)s2)[C@@H]2CCCO[C@@H]21 ZINC000367223747 566192364 /nfs/dbraw/zinc/19/23/64/566192364.db2.gz JVQIHVISQUBZAD-AXTRIDKLSA-N 0 1 378.279 3.041 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)CN2CCCN(c3nccs3)CC2)c1 ZINC000182265010 566192862 /nfs/dbraw/zinc/19/28/62/566192862.db2.gz WYKZQIBYJOIJTP-OAHLLOKOSA-N 0 1 381.929 3.057 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(F)cc4I)[C@H]1[C@H]3C2 ZINC000418049001 566193616 /nfs/dbraw/zinc/19/36/16/566193616.db2.gz MGMQZKVRHVVYAO-GSJWJAIFSA-N 0 1 387.236 3.286 20 0 GGADMN CN(CCc1ccc(Cl)cc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000182301157 566195222 /nfs/dbraw/zinc/19/52/22/566195222.db2.gz SVGVGGZEPAWAEY-IBGZPJMESA-N 0 1 381.925 3.126 20 0 GGADMN CC[C@@H](C)NC(=O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263746661 566195429 /nfs/dbraw/zinc/19/54/29/566195429.db2.gz RXNJTMCEDUMQRO-CYBMUJFWSA-N 0 1 396.329 3.014 20 0 GGADMN CCC[C@H](CCO)CNCc1c(Br)cncc1Br ZINC000290942559 566197795 /nfs/dbraw/zinc/19/77/95/566197795.db2.gz UCPKXCBQRRGHLR-SNVBAGLBSA-N 0 1 380.124 3.495 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000182404140 566202813 /nfs/dbraw/zinc/20/28/13/566202813.db2.gz UFZDGJMXGNTFBP-QGZVFWFLSA-N 0 1 393.281 3.110 20 0 GGADMN O=S1(=O)CCC[C@H](CN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000367452559 566203067 /nfs/dbraw/zinc/20/30/67/566203067.db2.gz ULPWAACJGBJLJH-CQSZACIVSA-N 0 1 391.364 3.330 20 0 GGADMN C[C@](O)(CN1CCSC2(CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000182417796 566203595 /nfs/dbraw/zinc/20/35/95/566203595.db2.gz FZTSRGYKDGSPCN-SFHVURJKSA-N 0 1 383.579 3.049 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2O)cc1F ZINC000182430317 566204340 /nfs/dbraw/zinc/20/43/40/566204340.db2.gz SJHVAYHAKXQKJK-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C)cc(Br)c2O)c1 ZINC000182429257 566204941 /nfs/dbraw/zinc/20/49/41/566204941.db2.gz YCVDCZVNVDMUDL-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN CCc1n[nH]c(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)n1 ZINC000182460607 566206910 /nfs/dbraw/zinc/20/69/10/566206910.db2.gz FNTFFTVXSOLQHR-UHFFFAOYSA-N 0 1 380.177 3.176 20 0 GGADMN CCc1nc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)n[nH]1 ZINC000182460607 566206915 /nfs/dbraw/zinc/20/69/15/566206915.db2.gz FNTFFTVXSOLQHR-UHFFFAOYSA-N 0 1 380.177 3.176 20 0 GGADMN OCCn1ncc2c1CCC[C@@H]2NCc1ccc(Cl)c(Br)c1 ZINC000367592639 566208249 /nfs/dbraw/zinc/20/82/49/566208249.db2.gz FWSUVAWNRBIQRN-HNNXBMFYSA-N 0 1 384.705 3.459 20 0 GGADMN Ic1cnc(CNCC2(c3ccccn3)CCC2)s1 ZINC000367599011 566208519 /nfs/dbraw/zinc/20/85/19/566208519.db2.gz UBRKFAUSBBYCAZ-UHFFFAOYSA-N 0 1 385.274 3.354 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000264327527 566211972 /nfs/dbraw/zinc/21/19/72/566211972.db2.gz CPXNEHBKVJHFHJ-UONOGXRCSA-N 0 1 387.355 3.332 20 0 GGADMN Cc1n[nH]c(CCNC(=O)C2(c3ccc(Br)cc3)CCCC2)n1 ZINC000264363480 566213220 /nfs/dbraw/zinc/21/32/20/566213220.db2.gz SNXZBMMLLFCUOE-UHFFFAOYSA-N 0 1 377.286 3.046 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000182612063 566214908 /nfs/dbraw/zinc/21/49/08/566214908.db2.gz JYDBYKFKVWDMOR-NSHDSACASA-N 0 1 394.269 3.253 20 0 GGADMN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1nc(-c2ccncc2)n[nH]1 ZINC000367774469 566215894 /nfs/dbraw/zinc/21/58/94/566215894.db2.gz ZUGREVCTKJTAGG-CYBMUJFWSA-N 0 1 378.219 3.236 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000182674830 566219381 /nfs/dbraw/zinc/21/93/81/566219381.db2.gz XEWQVCFGLFBUOB-NSHDSACASA-N 0 1 381.885 3.191 20 0 GGADMN COCCCNC(=O)C1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000264796986 566223849 /nfs/dbraw/zinc/22/38/49/566223849.db2.gz MCIVQXLRNKCFCA-CQSZACIVSA-N 0 1 383.330 3.375 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000182792915 566224036 /nfs/dbraw/zinc/22/40/36/566224036.db2.gz YVLREPDWZFZPCY-ZDUSSCGKSA-N 0 1 383.363 3.012 20 0 GGADMN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000264780549 566224277 /nfs/dbraw/zinc/22/42/77/566224277.db2.gz PLNYCPQTUFZRAD-OAHLLOKOSA-N 0 1 387.355 3.159 20 0 GGADMN CCc1c(NC(=O)CN(C)C(=O)OC)[nH]nc1-c1ccc(Br)cc1 ZINC000264811696 566224902 /nfs/dbraw/zinc/22/49/02/566224902.db2.gz YAIPAWNYCKIDCL-UHFFFAOYSA-N 0 1 395.257 3.038 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(C)o1 ZINC000182799852 566225430 /nfs/dbraw/zinc/22/54/30/566225430.db2.gz QTFAVTIOGZHENC-UHFFFAOYSA-N 0 1 385.507 3.411 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000367974842 566225584 /nfs/dbraw/zinc/22/55/84/566225584.db2.gz WSPBZXLKQKJPJX-CQSZACIVSA-N 0 1 388.269 3.175 20 0 GGADMN CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000264892919 566226630 /nfs/dbraw/zinc/22/66/30/566226630.db2.gz VTRVPDCBOBVKNY-YOEHRIQHSA-N 0 1 385.339 3.086 20 0 GGADMN CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000264892918 566227149 /nfs/dbraw/zinc/22/71/49/566227149.db2.gz VTRVPDCBOBVKNY-WMLDXEAASA-N 0 1 385.339 3.086 20 0 GGADMN COc1cc(Br)c(NC(=O)N2CCN(C3CCC3)CC2)cc1OC ZINC000264945841 566228232 /nfs/dbraw/zinc/22/82/32/566228232.db2.gz ABOFGYOSFSQANB-UHFFFAOYSA-N 0 1 398.301 3.168 20 0 GGADMN Cc1nnc(CCNCc2c(Br)cncc2Br)s1 ZINC000291680515 566229995 /nfs/dbraw/zinc/22/99/95/566229995.db2.gz XDUPNDGHAKEWGP-UHFFFAOYSA-N 0 1 392.120 3.099 20 0 GGADMN CC[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1nccn1C ZINC000182939641 566230832 /nfs/dbraw/zinc/23/08/32/566230832.db2.gz RPVCFUOABFLKHQ-INIZCTEOSA-N 0 1 393.329 3.272 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H](c3nccn3C)C2)cc1OC ZINC000368135271 566231485 /nfs/dbraw/zinc/23/14/85/566231485.db2.gz PETLLPXFZQHZSO-GFCCVEGCSA-N 0 1 380.286 3.189 20 0 GGADMN COc1cccc([C@@H]2C[C@H]2N[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000419260408 566231916 /nfs/dbraw/zinc/23/19/16/566231916.db2.gz QTOFYEGUOPIUMS-BBWFWOEESA-N 0 1 375.266 3.130 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C(=O)CN[C@H](C)c2ccc(Cl)s2)CC1 ZINC000182972817 566232876 /nfs/dbraw/zinc/23/28/76/566232876.db2.gz NNHUVSSCFDRGJE-CYBMUJFWSA-N 0 1 385.961 3.158 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccncc2Br)n[nH]1 ZINC000291743295 566233445 /nfs/dbraw/zinc/23/34/45/566233445.db2.gz CKHDGDGHYPMMPF-CYBMUJFWSA-N 0 1 378.274 3.453 20 0 GGADMN OC[C@@]1(c2ccccc2)CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000291771333 566233786 /nfs/dbraw/zinc/23/37/86/566233786.db2.gz LSJKMFMZWOFKGO-RTBURBONSA-N 0 1 394.284 3.258 20 0 GGADMN CC[C@H](CNC(=O)N[C@@H](C)c1nnc[nH]1)Cc1cccc(Br)c1 ZINC000183005736 566234297 /nfs/dbraw/zinc/23/42/97/566234297.db2.gz PNKABOHNJIBRDB-RYUDHWBXSA-N 0 1 380.290 3.196 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)n[nH]1 ZINC000291782547 566234492 /nfs/dbraw/zinc/23/44/92/566234492.db2.gz GDMNZRGCEHSXFR-ZDUSSCGKSA-N 0 1 397.248 3.220 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc(C)sc2Br)n[nH]1 ZINC000291773882 566234614 /nfs/dbraw/zinc/23/46/14/566234614.db2.gz FRMIQEZZUBCHHM-NSHDSACASA-N 0 1 399.314 3.451 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cc(C)sc2Br)n[nH]1 ZINC000291773876 566234709 /nfs/dbraw/zinc/23/47/09/566234709.db2.gz FRMIQEZZUBCHHM-LLVKDONJSA-N 0 1 399.314 3.451 20 0 GGADMN CC[C@@H](NCc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183017628 566235135 /nfs/dbraw/zinc/23/51/35/566235135.db2.gz NIVQKHUPFZXRPL-MRXNPFEDSA-N 0 1 383.311 3.337 20 0 GGADMN CC[C@@H](NCc1ccc(SC)c(OC)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183030542 566235811 /nfs/dbraw/zinc/23/58/11/566235811.db2.gz WVXZRIQDWKKCIM-MRXNPFEDSA-N 0 1 380.535 3.305 20 0 GGADMN O=C(c1s[n-]c(=O)c1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368322998 566236737 /nfs/dbraw/zinc/23/67/37/566236737.db2.gz XKXUCXXUYBSSLA-KGLIPLIRSA-N 0 1 377.897 3.096 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(Br)cn1)[C@H]1OCCc2sccc21 ZINC000368354227 566237252 /nfs/dbraw/zinc/23/72/52/566237252.db2.gz HIJJYYMKKLKPHN-QLJPJBMISA-N 0 1 396.310 3.136 20 0 GGADMN CC(C)COc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1 ZINC000265422810 566237323 /nfs/dbraw/zinc/23/73/23/566237323.db2.gz OOGBQCQNIPTQGH-UHFFFAOYSA-N 0 1 377.388 3.281 20 0 GGADMN CCOc1cccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1OC(F)F ZINC000183107006 566238007 /nfs/dbraw/zinc/23/80/07/566238007.db2.gz CREZQQHRYFENPO-ZFWWWQNUSA-N 0 1 377.453 3.132 20 0 GGADMN O[C@H](CNCc1csc(COc2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000265521453 566238513 /nfs/dbraw/zinc/23/85/13/566238513.db2.gz IAPHONPGNWRJHF-QGZVFWFLSA-N 0 1 382.913 3.253 20 0 GGADMN COCc1noc(CSc2nc(-c3ccccc3Br)n[nH]2)n1 ZINC000183185862 566240665 /nfs/dbraw/zinc/24/06/65/566240665.db2.gz CAINWGXAOXJRSO-UHFFFAOYSA-N 0 1 382.243 3.056 20 0 GGADMN CCCc1cnc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)s1 ZINC000183195501 566240689 /nfs/dbraw/zinc/24/06/89/566240689.db2.gz BEYMUJYVEJVOFU-NSHDSACASA-N 0 1 379.507 3.194 20 0 GGADMN CC(C)c1ncc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)s1 ZINC000368505320 566240726 /nfs/dbraw/zinc/24/07/26/566240726.db2.gz YBIGKVMBXMDTOX-LBPRGKRZSA-N 0 1 380.836 3.092 20 0 GGADMN CC(C)c1ncc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)s1 ZINC000368505320 566240728 /nfs/dbraw/zinc/24/07/28/566240728.db2.gz YBIGKVMBXMDTOX-LBPRGKRZSA-N 0 1 380.836 3.092 20 0 GGADMN C[C@@H](NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)c1nnc[nH]1 ZINC000183225727 566240907 /nfs/dbraw/zinc/24/09/07/566240907.db2.gz KKKWLBUBFMSWRH-SSDOTTSWSA-N 0 1 378.647 3.204 20 0 GGADMN CC(C)[C@@H](O)C1(CNCc2ccc(F)cc2I)CC1 ZINC000419672541 566241215 /nfs/dbraw/zinc/24/12/15/566241215.db2.gz ASRVIUMJIGCSNH-CQSZACIVSA-N 0 1 377.241 3.317 20 0 GGADMN Cn1cncc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000368544278 566241353 /nfs/dbraw/zinc/24/13/53/566241353.db2.gz TWFGOEWNBMIEHU-UHFFFAOYSA-N 0 1 377.286 3.033 20 0 GGADMN O=C(NC[C@H](O)c1ccsc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000265751719 566241412 /nfs/dbraw/zinc/24/14/12/566241412.db2.gz HVIUDHCDILYXJP-YOEHRIQHSA-N 0 1 379.551 3.054 20 0 GGADMN O=C(NC[C@@H](O)c1ccsc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000265751717 566241562 /nfs/dbraw/zinc/24/15/62/566241562.db2.gz HVIUDHCDILYXJP-WMLDXEAASA-N 0 1 379.551 3.054 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1Cl ZINC000419695415 566241740 /nfs/dbraw/zinc/24/17/40/566241740.db2.gz SJFZMZIODKTYCK-HNNXBMFYSA-N 0 1 384.860 3.130 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3nccs3)CC2)cc1 ZINC000368581899 566242296 /nfs/dbraw/zinc/24/22/96/566242296.db2.gz IHHRFHSJGLZEPE-CQSZACIVSA-N 0 1 379.551 3.256 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CSc2cccc(Br)c2)n[nH]1 ZINC000183278542 566242356 /nfs/dbraw/zinc/24/23/56/566242356.db2.gz IBGZAXPHYOFSLI-UHFFFAOYSA-N 0 1 384.255 3.080 20 0 GGADMN CC(C)S(=O)(=O)CCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000368592206 566242523 /nfs/dbraw/zinc/24/25/23/566242523.db2.gz KHJNHFRKMPHJNV-UHFFFAOYSA-N 0 1 375.416 3.008 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000183280058 566242569 /nfs/dbraw/zinc/24/25/69/566242569.db2.gz DIKDEDURRLXHLR-RYUDHWBXSA-N 0 1 378.226 3.091 20 0 GGADMN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(Br)c(O)c1 ZINC000183272617 566242702 /nfs/dbraw/zinc/24/27/02/566242702.db2.gz HHWIAJKTYMMYIS-UHFFFAOYSA-N 0 1 391.200 3.255 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000183298279 566243104 /nfs/dbraw/zinc/24/31/04/566243104.db2.gz NGSQHRCORRGKIM-GFCCVEGCSA-N 0 1 385.379 3.258 20 0 GGADMN CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000183286679 566243210 /nfs/dbraw/zinc/24/32/10/566243210.db2.gz XMINMIPJFKETRT-UHFFFAOYSA-N 0 1 391.225 3.011 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000183296946 566243307 /nfs/dbraw/zinc/24/33/07/566243307.db2.gz JXQLNBSSRQCWJQ-LLVKDONJSA-N 0 1 385.379 3.258 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)C(=O)Nc2ccc(C)cc2Br)cnn1C ZINC000183304118 566243576 /nfs/dbraw/zinc/24/35/76/566243576.db2.gz QYNINEZYZISVAR-NWDGAFQWSA-N 0 1 379.302 3.477 20 0 GGADMN Cc1c([C@@H](C)NCC(=O)Nc2ccc(Br)cc2Cl)cnn1C ZINC000183329597 566244226 /nfs/dbraw/zinc/24/42/26/566244226.db2.gz MNPVTRGYQXPNMA-SECBINFHSA-N 0 1 385.693 3.434 20 0 GGADMN Cc1c([C@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)cnn1C ZINC000183337254 566244357 /nfs/dbraw/zinc/24/43/57/566244357.db2.gz FWBGDRKZNWEHMO-NEPJUHHUSA-N 0 1 379.302 3.019 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)N1CCOCC1 ZINC000183354010 566245064 /nfs/dbraw/zinc/24/50/64/566245064.db2.gz DFHFHGYPWOACPD-GFCCVEGCSA-N 0 1 379.913 3.281 20 0 GGADMN C[C@@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)c1nnc[nH]1 ZINC000183396434 566245974 /nfs/dbraw/zinc/24/59/74/566245974.db2.gz VVDHDGCILYTRSP-SNVBAGLBSA-N 0 1 376.873 3.185 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(Br)cc1C(F)(F)F ZINC000183413371 566246119 /nfs/dbraw/zinc/24/61/19/566246119.db2.gz LDOIFPVEPQBKNK-SECBINFHSA-N 0 1 388.249 3.381 20 0 GGADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H](O)c1cnn(C)c1 ZINC000266141123 566246321 /nfs/dbraw/zinc/24/63/21/566246321.db2.gz HGFVSJOCZJLQRU-MRXNPFEDSA-N 0 1 380.279 3.044 20 0 GGADMN Cn1cc([C@H](O)CNCc2csc(-c3cccc(Br)c3)n2)cn1 ZINC000266172367 566246833 /nfs/dbraw/zinc/24/68/33/566246833.db2.gz RPJIXVRKLHVSJD-OAHLLOKOSA-N 0 1 393.310 3.129 20 0 GGADMN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000183434716 566247010 /nfs/dbraw/zinc/24/70/10/566247010.db2.gz TUZIJSCXLVWGJQ-KBPBESRZSA-N 0 1 392.297 3.462 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(F)c(Br)c1 ZINC000266228260 566247631 /nfs/dbraw/zinc/24/76/31/566247631.db2.gz CJIYFFXNDHZBFK-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(F)c(Br)c1 ZINC000266259608 566247942 /nfs/dbraw/zinc/24/79/42/566247942.db2.gz MGTIUNAPNJSWEC-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN COc1c(Br)cc(Br)cc1CNC1([C@@H](C)O)CC1 ZINC000668696211 566256709 /nfs/dbraw/zinc/25/67/09/566256709.db2.gz NJSDTHQHLKWZKE-MRVPVSSYSA-N 0 1 379.092 3.223 20 0 GGADMN C[C@@H](CNC(=O)[C@@H]1CCCc2[nH]cnc21)Oc1ccccc1Br ZINC000369133132 566249904 /nfs/dbraw/zinc/24/99/04/566249904.db2.gz AFBOIEZQNNESAM-NWDGAFQWSA-N 0 1 378.270 3.176 20 0 GGADMN C[C@@H]1CN(C(=O)CN[C@H](c2cc(F)cc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000481750152 566250519 /nfs/dbraw/zinc/25/05/19/566250519.db2.gz XVPPIHAUEUIFQG-FMTVUPSXSA-N 0 1 399.304 3.265 20 0 GGADMN C[C@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(Br)cc1 ZINC000444732237 566250716 /nfs/dbraw/zinc/25/07/16/566250716.db2.gz IFHKMYFUBFHJDB-ZDUSSCGKSA-N 0 1 395.272 3.434 20 0 GGADMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cc(Br)c(C)[nH]c3=O)c2C)o1 ZINC000444734916 566250750 /nfs/dbraw/zinc/25/07/50/566250750.db2.gz LWXRIQMHHZDODS-UHFFFAOYSA-N 0 1 391.225 3.132 20 0 GGADMN O=C(CN[C@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccncc1 ZINC000481744550 566250973 /nfs/dbraw/zinc/25/09/73/566250973.db2.gz BOWZLONJUCBXRX-KRWDZBQOSA-N 0 1 378.245 3.085 20 0 GGADMN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000534701597 566251249 /nfs/dbraw/zinc/25/12/49/566251249.db2.gz VNHWRYAFLUARJD-NSHDSACASA-N 0 1 383.853 3.103 20 0 GGADMN CC(=O)[C@@H](NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(C)C ZINC000481758575 566251301 /nfs/dbraw/zinc/25/13/01/566251301.db2.gz UULSGPBZGWSWIT-ZWKOTPCHSA-N 0 1 399.304 3.359 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000444792461 566251355 /nfs/dbraw/zinc/25/13/55/566251355.db2.gz NHIHGUITYXBXAU-GFCCVEGCSA-N 0 1 393.336 3.221 20 0 GGADMN Brc1ccc(-c2n[nH]c(SCc3nnc4n3CCCC4)n2)cc1 ZINC000575104503 566251723 /nfs/dbraw/zinc/25/17/23/566251723.db2.gz KWJYANXYRYRXBQ-UHFFFAOYSA-N 0 1 391.298 3.454 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Br)s1 ZINC000444762827 566251923 /nfs/dbraw/zinc/25/19/23/566251923.db2.gz AWXOQMFVZLPBLM-NSHDSACASA-N 0 1 396.310 3.187 20 0 GGADMN COc1ccc(C(=O)COc2ccc(F)c(Br)c2)c2c1C(=O)CO2 ZINC000575112941 566251892 /nfs/dbraw/zinc/25/18/92/566251892.db2.gz JYNMFWSQRGYWLF-UHFFFAOYSA-N 0 1 395.180 3.434 20 0 GGADMN CS(=O)(=O)[C@H]1CCCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000444792462 566252114 /nfs/dbraw/zinc/25/21/14/566252114.db2.gz NHIHGUITYXBXAU-LBPRGKRZSA-N 0 1 393.336 3.221 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000575104646 566252108 /nfs/dbraw/zinc/25/21/08/566252108.db2.gz ORCONEGOSJENDP-VIFPVBQESA-N 0 1 380.242 3.400 20 0 GGADMN CC(C)N1CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000462127425 566252316 /nfs/dbraw/zinc/25/23/16/566252316.db2.gz DOVGQEBSJLXMNP-UHFFFAOYSA-N 0 1 393.329 3.209 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CC(F)(F)F)C(C)C)c1F ZINC000599288310 566252496 /nfs/dbraw/zinc/25/24/96/566252496.db2.gz QAVRJAOPQRPXBQ-SNVBAGLBSA-N 0 1 389.342 3.007 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000444800200 566252840 /nfs/dbraw/zinc/25/28/40/566252840.db2.gz IVQBSVHTJWCTDA-MRXNPFEDSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000575124755 566252982 /nfs/dbraw/zinc/25/29/82/566252982.db2.gz DWZSJYSZMPYYLQ-WDEREUQCSA-N 0 1 383.926 3.036 20 0 GGADMN COc1c(Cl)cc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000444826039 566254179 /nfs/dbraw/zinc/25/41/79/566254179.db2.gz GVQAXLJMFVVTTK-NSHDSACASA-N 0 1 390.311 3.311 20 0 GGADMN O=C(NCCN1CCCOCC1)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000575145819 566254730 /nfs/dbraw/zinc/25/47/30/566254730.db2.gz QWXWTDDCIXGGNO-UHFFFAOYSA-N 0 1 386.323 3.394 20 0 GGADMN Cc1cc(Br)cc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1C ZINC000668670021 566256428 /nfs/dbraw/zinc/25/64/28/566256428.db2.gz CWGIKOPFSZSQCU-GOSISDBHSA-N 0 1 396.373 3.068 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)s1 ZINC000481862113 566256793 /nfs/dbraw/zinc/25/67/93/566256793.db2.gz AGKLVTTZGISRMT-UHFFFAOYSA-N 0 1 388.898 3.051 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)[N@@H+](C)C1CC1 ZINC000462161818 566257304 /nfs/dbraw/zinc/25/73/04/566257304.db2.gz PSHBYVIWCOSWHM-LBPRGKRZSA-N 0 1 381.567 3.355 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)N(C)C1CC1 ZINC000462161818 566257310 /nfs/dbraw/zinc/25/73/10/566257310.db2.gz PSHBYVIWCOSWHM-LBPRGKRZSA-N 0 1 381.567 3.355 20 0 GGADMN CCOC(=O)C[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000599372170 566257481 /nfs/dbraw/zinc/25/74/81/566257481.db2.gz TYHIDBZUORWXIS-OLZOCXBDSA-N 0 1 398.219 3.346 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)[N@@H+](C)C1CC1 ZINC000462161817 566257478 /nfs/dbraw/zinc/25/74/78/566257478.db2.gz PSHBYVIWCOSWHM-GFCCVEGCSA-N 0 1 381.567 3.355 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)N(C)C1CC1 ZINC000462161817 566257485 /nfs/dbraw/zinc/25/74/85/566257485.db2.gz PSHBYVIWCOSWHM-GFCCVEGCSA-N 0 1 381.567 3.355 20 0 GGADMN O=C(CCc1cc(Cl)cs1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534840415 566258018 /nfs/dbraw/zinc/25/80/18/566258018.db2.gz GYYXZQHAGFJEAZ-IRXDYDNUSA-N 0 1 378.925 3.086 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1ccc(Br)cc1F ZINC000462164508 566259133 /nfs/dbraw/zinc/25/91/33/566259133.db2.gz MYJHYVXXXGNYKB-LBPRGKRZSA-N 0 1 384.293 3.386 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2cnc3ccccc3c2)ccc1Cl ZINC000509073930 566259590 /nfs/dbraw/zinc/25/95/90/566259590.db2.gz FPYZXSPQMKYPCS-UHFFFAOYSA-N 0 1 375.837 3.049 20 0 GGADMN O=C1NC2(CCCCCC2)C(=O)N1Cc1nc2cccc(Br)c2[nH]1 ZINC000420031531 566260836 /nfs/dbraw/zinc/26/08/36/566260836.db2.gz LTRGDONLHMPMAI-UHFFFAOYSA-N 0 1 391.269 3.470 20 0 GGADMN CN1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)C12CCCCC2 ZINC000420038858 566261301 /nfs/dbraw/zinc/26/13/01/566261301.db2.gz XDFPXHSACJJJQZ-UHFFFAOYSA-N 0 1 391.269 3.422 20 0 GGADMN CC[C@@H]1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)N1C1CC1 ZINC000420026953 566261496 /nfs/dbraw/zinc/26/14/96/566261496.db2.gz FIHONYIFQZZVAQ-GFCCVEGCSA-N 0 1 377.242 3.031 20 0 GGADMN Cn1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)n1 ZINC000481885420 566261402 /nfs/dbraw/zinc/26/14/02/566261402.db2.gz CMRSQPFAXFRJQL-UHFFFAOYSA-N 0 1 384.177 3.002 20 0 GGADMN CCCCC[C@@H]1NC(=O)N(Cc2nc3cccc(Br)c3[nH]2)C1=O ZINC000420030071 566261798 /nfs/dbraw/zinc/26/17/98/566261798.db2.gz JOHXKZSEIYCERJ-LBPRGKRZSA-N 0 1 379.258 3.326 20 0 GGADMN CSc1cccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c1 ZINC000509103130 566262759 /nfs/dbraw/zinc/26/27/59/566262759.db2.gz MQKILAZEPHKGPU-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccc(F)c1 ZINC000555948018 566263651 /nfs/dbraw/zinc/26/36/51/566263651.db2.gz OJYMZNWRJVPDRU-CQSZACIVSA-N 0 1 392.830 3.339 20 0 GGADMN C[C@@H](O)C[C@@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000555951662 566263672 /nfs/dbraw/zinc/26/36/72/566263672.db2.gz BMKHZQKYQHQXRW-YPMHNXCESA-N 0 1 389.851 3.451 20 0 GGADMN C[C@H](O)C[C@@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000555951657 566263833 /nfs/dbraw/zinc/26/38/33/566263833.db2.gz BMKHZQKYQHQXRW-AAEUAGOBSA-N 0 1 389.851 3.451 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481931170 566265155 /nfs/dbraw/zinc/26/51/55/566265155.db2.gz YZUDTBRIMPTCMU-JTQLQIEISA-N 0 1 385.896 3.271 20 0 GGADMN COc1cc(C)c(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1C ZINC000599432486 566265159 /nfs/dbraw/zinc/26/51/59/566265159.db2.gz PIKIFBATSOOMOT-UHFFFAOYSA-N 0 1 379.869 3.320 20 0 GGADMN CC(C)CN1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC1=O ZINC000534941720 566265456 /nfs/dbraw/zinc/26/54/56/566265456.db2.gz ZIKSVIUOJYSOJJ-VIFPVBQESA-N 0 1 389.677 3.251 20 0 GGADMN FC(F)(F)Oc1ccc(CN2CCc3n[nH]nc3C2)cc1Br ZINC000668791717 566266602 /nfs/dbraw/zinc/26/66/02/566266602.db2.gz XDHKCXWRZMLUKX-UHFFFAOYSA-N 0 1 377.164 3.024 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1ccc(Br)s1 ZINC000445072089 566266854 /nfs/dbraw/zinc/26/68/54/566266854.db2.gz DILBGQMHJYYODJ-UHFFFAOYSA-N 0 1 392.344 3.352 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000534975151 566266862 /nfs/dbraw/zinc/26/68/62/566266862.db2.gz CLWKFQDSDWIWDS-SSDOTTSWSA-N 0 1 382.795 3.079 20 0 GGADMN C[C@H]1[C@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CCC[N@H+]1C ZINC000481933870 566267142 /nfs/dbraw/zinc/26/71/42/566267142.db2.gz RUXZPHPAWXFBHH-JOYOIKCWSA-N 0 1 383.880 3.024 20 0 GGADMN CCOc1ccc(Br)cc1NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000534965752 566267297 /nfs/dbraw/zinc/26/72/97/566267297.db2.gz ILFZOYSOOAHDMY-SECBINFHSA-N 0 1 382.262 3.411 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3scnc3C3CC3)cc2C[C@@H]1C ZINC000534973581 566267655 /nfs/dbraw/zinc/26/76/55/566267655.db2.gz WBJJEFKWBHKCMB-JTQLQIEISA-N 0 1 377.491 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ODHONRIOCJCLAD-MLGOLLRUSA-N 0 1 381.314 3.337 20 0 GGADMN CCC(=O)N1CCCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000556193048 566274709 /nfs/dbraw/zinc/27/47/09/566274709.db2.gz TXMYYXSYOCJCSR-UHFFFAOYSA-N 0 1 381.314 3.356 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)c3cscn3)CC2)cc1 ZINC000535065180 566274987 /nfs/dbraw/zinc/27/49/87/566274987.db2.gz FDZWZLOLQUZXJX-AWEZNQCLSA-N 0 1 379.551 3.256 20 0 GGADMN C[C@H](Cc1cccc(F)c1)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000445235968 566275387 /nfs/dbraw/zinc/27/53/87/566275387.db2.gz SRLIPVZSKKCXFE-GFCCVEGCSA-N 0 1 380.261 3.485 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1Br ZINC000462291725 566276626 /nfs/dbraw/zinc/27/66/26/566276626.db2.gz RVULTFDJOKYEHU-AWEZNQCLSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1cccc2nc(CNC(=O)N=c3cc4ccc(Br)cn4[nH]3)[nH]c21 ZINC000482042752 566279303 /nfs/dbraw/zinc/27/93/03/566279303.db2.gz CURBWYFQFQKEBI-UHFFFAOYSA-N 0 1 399.252 3.025 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000575635305 566279323 /nfs/dbraw/zinc/27/93/23/566279323.db2.gz ROYLHUWIAGDFOS-QKCSRTOESA-N 0 1 393.285 3.082 20 0 GGADMN Cc1ccc(I)cc1NC(=O)N1CCNC[C@@H]1C(C)C ZINC000599602961 566279339 /nfs/dbraw/zinc/27/93/39/566279339.db2.gz BENQZRQUVAQTGM-CQSZACIVSA-N 0 1 387.265 3.061 20 0 GGADMN CN(C)C1(CNS(=O)(=O)c2cccc(Cl)c2Cl)Cc2ccccc2C1 ZINC000462312090 566280229 /nfs/dbraw/zinc/28/02/29/566280229.db2.gz JKVBLXAYAUETIO-UHFFFAOYSA-N 0 1 399.343 3.371 20 0 GGADMN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535139586 566280264 /nfs/dbraw/zinc/28/02/64/566280264.db2.gz XSZPLRJGXPLKOD-UHFFFAOYSA-N 0 1 377.846 3.074 20 0 GGADMN C[C@@H](NC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)c1cccc(Cl)c1Cl ZINC000669042097 566280880 /nfs/dbraw/zinc/28/08/80/566280880.db2.gz VQDJFPSADIRIPV-VXGBXAGGSA-N 0 1 386.323 3.160 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000575744616 566280966 /nfs/dbraw/zinc/28/09/66/566280966.db2.gz BDSKYFYHVNFQFA-MSOLQXFVSA-N 0 1 389.293 3.357 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@@H](n2ccnc2)C1 ZINC000625141013 566281181 /nfs/dbraw/zinc/28/11/81/566281181.db2.gz KPSJGGNBDJIDFG-WBVHZDCISA-N 0 1 389.297 3.236 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535144141 566281184 /nfs/dbraw/zinc/28/11/84/566281184.db2.gz WXSDIFSGZTXTFI-UHFFFAOYSA-N 0 1 390.933 3.434 20 0 GGADMN C[C@@H](NC(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccc(Cl)c1Cl ZINC000669042094 566281425 /nfs/dbraw/zinc/28/14/25/566281425.db2.gz VQDJFPSADIRIPV-NEPJUHHUSA-N 0 1 386.323 3.160 20 0 GGADMN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000575742774 566281764 /nfs/dbraw/zinc/28/17/64/566281764.db2.gz RYTDIFCRGUGVRR-SECBINFHSA-N 0 1 379.898 3.202 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509241729 566281915 /nfs/dbraw/zinc/28/19/15/566281915.db2.gz SNBJRKHCVJWNQS-UHFFFAOYSA-N 0 1 379.379 3.084 20 0 GGADMN O=S(=O)(N[C@H]1CCCC12CCOCC2)c1cc(C(F)(F)F)ccc1O ZINC000556295000 566282051 /nfs/dbraw/zinc/28/20/51/566282051.db2.gz LYOKWWABMHUSTQ-AWEZNQCLSA-N 0 1 379.400 3.039 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000482104035 566282461 /nfs/dbraw/zinc/28/24/61/566282461.db2.gz NBLJSIFKZRXZBP-QGZVFWFLSA-N 0 1 378.314 3.272 20 0 GGADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000535158205 566282945 /nfs/dbraw/zinc/28/29/45/566282945.db2.gz YWMTWQKWUROXAE-UHFFFAOYSA-N 0 1 386.876 3.357 20 0 GGADMN O=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)c(F)c1Cl ZINC000556303852 566283152 /nfs/dbraw/zinc/28/31/52/566283152.db2.gz ZFKPEUKNPDREOJ-UHFFFAOYSA-N 0 1 388.211 3.113 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1ccc(F)c(Cl)c1)N(C)Cc1ccccc1 ZINC000535159481 566283545 /nfs/dbraw/zinc/28/35/45/566283545.db2.gz BFWFUXWEKUSYSC-AWEZNQCLSA-N 0 1 384.904 3.419 20 0 GGADMN O=C(Cc1noc(C23CCCN2CCC3)n1)Nc1ccccc1Br ZINC000420490411 566284358 /nfs/dbraw/zinc/28/43/58/566284358.db2.gz AZDAKJNYHDDTAM-UHFFFAOYSA-N 0 1 391.269 3.098 20 0 GGADMN Cc1ccccc1CS(=O)(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000482105198 566284918 /nfs/dbraw/zinc/28/49/18/566284918.db2.gz PREMIFCQOSLSCY-UHFFFAOYSA-N 0 1 382.595 3.166 20 0 GGADMN COCCOc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000482116619 566285307 /nfs/dbraw/zinc/28/53/07/566285307.db2.gz WGHDXORPWBHHCM-MRXNPFEDSA-N 0 1 382.913 3.459 20 0 GGADMN O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000509277671 566286690 /nfs/dbraw/zinc/28/66/90/566286690.db2.gz CDFVGDBIYYYQKE-UHFFFAOYSA-N 0 1 375.734 3.467 20 0 GGADMN O=S(=O)(NCC1(N2CCSCC2)CCCCC1)c1ccccc1Cl ZINC000482133944 566287186 /nfs/dbraw/zinc/28/71/86/566287186.db2.gz VCOFUYTZOOQMSF-UHFFFAOYSA-N 0 1 388.986 3.370 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(CC[C@@H]4CCCO4)n3)n2)c1 ZINC000556332329 566287336 /nfs/dbraw/zinc/28/73/36/566287336.db2.gz TXQAIQLINOBZON-LBPRGKRZSA-N 0 1 390.241 3.396 20 0 GGADMN CN(C(=O)c1cc(-c2cccc(Br)c2)no1)[C@H]1CCCN(C)C1 ZINC000669178258 566288007 /nfs/dbraw/zinc/28/80/07/566288007.db2.gz 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0 1 383.857 3.015 20 0 GGADMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1c(Br)c(C)nn1C ZINC000556610902 566318304 /nfs/dbraw/zinc/31/83/04/566318304.db2.gz YIXGMWMCCYRMEB-SWLSCSKDSA-N 0 1 394.313 3.001 20 0 GGADMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ncc(Br)cc1F ZINC000600157465 566319320 /nfs/dbraw/zinc/31/93/20/566319320.db2.gz WISKEZRJDVWKHX-IUODEOHRSA-N 0 1 395.272 3.493 20 0 GGADMN O[C@@H](CN[C@@H]1COc2cc(F)c(Br)cc21)Cc1ccc(F)cc1 ZINC000576151206 566319645 /nfs/dbraw/zinc/31/96/45/566319645.db2.gz FSECKFAOTWQCJE-MLGOLLRUSA-N 0 1 384.220 3.354 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)[C@H]1CCc2ncncc2C1 ZINC000648844270 566320729 /nfs/dbraw/zinc/32/07/29/566320729.db2.gz WMZOTNNXTQPJCT-QMMMGPOBSA-N 0 1 382.645 3.342 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)c1cccc(N)c1)c1ccc(Cl)cc1 ZINC000509616457 566320856 /nfs/dbraw/zinc/32/08/56/566320856.db2.gz IKLBVAXEUOPORC-SFHVURJKSA-N 0 1 381.929 3.284 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 ZINC000535691451 566321058 /nfs/dbraw/zinc/32/10/58/566321058.db2.gz DQFMOMMZUQIYAV-MRVPVSSYSA-N 0 1 380.367 3.126 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 ZINC000535692233 566321071 /nfs/dbraw/zinc/32/10/71/566321071.db2.gz XWEPETOLHSEZOE-SSDOTTSWSA-N 0 1 382.795 3.079 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)n[nH]1 ZINC000535694821 566321136 /nfs/dbraw/zinc/32/11/36/566321136.db2.gz MTPQGSHXGPMANL-MRVPVSSYSA-N 0 1 392.257 3.111 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3cc4c(cncc4Br)s3)[C@H]2C1 ZINC000648856169 566321709 /nfs/dbraw/zinc/32/17/09/566321709.db2.gz WRQTZQJTXHLMDI-MFKMUULPSA-N 0 1 380.311 3.225 20 0 GGADMN O=S1(=O)CC[C@H](CCN2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000669695149 566321882 /nfs/dbraw/zinc/32/18/82/566321882.db2.gz DXBCGFZKUTXYKU-AWEZNQCLSA-N 0 1 386.355 3.453 20 0 GGADMN COCCn1cc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000669705080 566322122 /nfs/dbraw/zinc/32/21/22/566322122.db2.gz LRAOECDSPZEBEN-ROUUACIJSA-N 0 1 394.313 3.302 20 0 GGADMN CCN(CC)S(=O)(=O)CCN[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633002 566323166 /nfs/dbraw/zinc/32/31/66/566323166.db2.gz QMRQCSSKODQSCO-AWEZNQCLSA-N 0 1 395.352 3.468 20 0 GGADMN [O-]c1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1Cl ZINC000648860866 566323462 /nfs/dbraw/zinc/32/34/62/566323462.db2.gz OBALUEASDIIGQO-UHFFFAOYSA-N 0 1 398.688 3.074 20 0 GGADMN Cc1cnn([C@@H]2CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)c1 ZINC000625441362 566323976 /nfs/dbraw/zinc/32/39/76/566323976.db2.gz REQJFSOHHHYPTI-NVXWUHKLSA-N 0 1 389.297 3.154 20 0 GGADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COc1ccc(Br)cc1Cl ZINC000509652841 566323997 /nfs/dbraw/zinc/32/39/97/566323997.db2.gz PIJNNDARRPGHOA-WDEREUQCSA-N 0 1 375.694 3.032 20 0 GGADMN CC(=O)N1CCN(C(=O)c2cccc(Br)c2O)CC12CCCCC2 ZINC000535746960 566323931 /nfs/dbraw/zinc/32/39/31/566323931.db2.gz ACXXHVQEXVMEFL-UHFFFAOYSA-N 0 1 395.297 3.162 20 0 GGADMN Cc1cnn([C@H]2CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)c1 ZINC000625441361 566324096 /nfs/dbraw/zinc/32/40/96/566324096.db2.gz REQJFSOHHHYPTI-DOTOQJQBSA-N 0 1 389.297 3.154 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1C[C@H](OC)C1 ZINC000600213942 566324735 /nfs/dbraw/zinc/32/47/35/566324735.db2.gz JCWJHRIHPRJQGV-AULYBMBSSA-N 0 1 384.263 3.233 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000482676793 566324884 /nfs/dbraw/zinc/32/48/84/566324884.db2.gz SWLQPOCPMHTLFS-BFQNTYOBSA-N 0 1 384.307 3.088 20 0 GGADMN CC(C)(C)c1ncc(C(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000556705526 566324948 /nfs/dbraw/zinc/32/49/48/566324948.db2.gz ZZSUJMYPKZAMDM-UHFFFAOYSA-N 0 1 388.269 3.343 20 0 GGADMN CC1(C)CCCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000446062362 566325666 /nfs/dbraw/zinc/32/56/66/566325666.db2.gz NVJHTGBTHWAGLO-UHFFFAOYSA-N 0 1 396.329 3.016 20 0 GGADMN CO[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1(C)C ZINC000625457565 566325853 /nfs/dbraw/zinc/32/58/53/566325853.db2.gz OCJSDRICRFBRGO-JKSUJKDBSA-N 0 1 381.314 3.449 20 0 GGADMN CCN1CCCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000446045942 566326307 /nfs/dbraw/zinc/32/63/07/566326307.db2.gz RVBGRSKGLPSXNM-UHFFFAOYSA-N 0 1 381.314 3.356 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)cc21 ZINC000535786509 566326724 /nfs/dbraw/zinc/32/67/24/566326724.db2.gz DEEPWDPIARJYCI-QWRGUYRKSA-N 0 1 380.286 3.104 20 0 GGADMN CN1C(=O)C[C@H](NCc2ccc(Br)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482706408 566326754 /nfs/dbraw/zinc/32/67/54/566326754.db2.gz ODVMJDWAZQJYSO-RDJZCZTQSA-N 0 1 396.235 3.184 20 0 GGADMN Cc1cc(N2CCC[C@H](N3CC[C@@H](O)C(C)(C)C3)C2=O)ccc1Br ZINC000446083154 566327295 /nfs/dbraw/zinc/32/72/95/566327295.db2.gz RYLHABIZGPIAFN-DLBZAZTESA-N 0 1 395.341 3.346 20 0 GGADMN CC[C@H](C)N1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625462303 566327340 /nfs/dbraw/zinc/32/73/40/566327340.db2.gz OSNBQSZIEMCHRW-GUYCJALGSA-N 0 1 380.330 3.119 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)c(Br)c2)C[C@H](C)O1 ZINC000509681393 566328090 /nfs/dbraw/zinc/32/80/90/566328090.db2.gz IYWYWAIAFUFLIW-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2ccc(C)cc2Cl)s1 ZINC000482711767 566328334 /nfs/dbraw/zinc/32/83/34/566328334.db2.gz XSMWSPYIFJQHPK-UHFFFAOYSA-N 0 1 375.855 3.306 20 0 GGADMN CN(CC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCSC1 ZINC000482711336 566328502 /nfs/dbraw/zinc/32/85/02/566328502.db2.gz RIPJYCDOYLHHKL-GXTWGEPZSA-N 0 1 388.364 3.126 20 0 GGADMN CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C)C[C@H]1C ZINC000669798521 566329104 /nfs/dbraw/zinc/32/91/04/566329104.db2.gz WYYATZHKGGRTNE-LLVKDONJSA-N 0 1 398.736 3.428 20 0 GGADMN CCN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)C[C@H]1C ZINC000669800158 566329341 /nfs/dbraw/zinc/32/93/41/566329341.db2.gz GAIDHZUQBYDAEC-GFCCVEGCSA-N 0 1 384.311 3.231 20 0 GGADMN COC(=O)c1cc(Br)cc(C(=O)Nc2cc(C(C)=O)ccc2O)c1 ZINC000462592998 566329826 /nfs/dbraw/zinc/32/98/26/566329826.db2.gz KYOHYVNDAZWIQB-UHFFFAOYSA-N 0 1 392.205 3.396 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000482736749 566330627 /nfs/dbraw/zinc/33/06/27/566330627.db2.gz PHWBGRMFFVRYQE-JKSUJKDBSA-N 0 1 384.307 3.089 20 0 GGADMN O[C@H]1C[C@@H](CN2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)C1 ZINC000420921878 566331449 /nfs/dbraw/zinc/33/14/49/566331449.db2.gz MREGLVOHUKVBEQ-TYNCELHUSA-N 0 1 378.270 3.407 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)cn1 ZINC000556793779 566331531 /nfs/dbraw/zinc/33/15/31/566331531.db2.gz HNESLIZBBHNUKI-UHFFFAOYSA-N 0 1 383.926 3.397 20 0 GGADMN Cc1nnc(SCCC(=O)N(C)Cc2ccc(F)cc2Br)[nH]1 ZINC000482765875 566331951 /nfs/dbraw/zinc/33/19/51/566331951.db2.gz IXLOUZZRPFAZJD-UHFFFAOYSA-N 0 1 387.278 3.156 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000556806447 566333315 /nfs/dbraw/zinc/33/33/15/566333315.db2.gz QLZCAQGFNOZMGV-GFCCVEGCSA-N 0 1 382.835 3.218 20 0 GGADMN OC[C@@H](NCc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCOC1 ZINC000556816429 566333552 /nfs/dbraw/zinc/33/35/52/566333552.db2.gz DZVFZTTYZMNFKU-CZUORRHYSA-N 0 1 397.338 3.450 20 0 GGADMN Fc1cc(Br)cc(CN2CCC(N3CCOCC3)CC2)c1F ZINC000625543696 566333591 /nfs/dbraw/zinc/33/35/91/566333591.db2.gz HCDLDPJVEAREBF-UHFFFAOYSA-N 0 1 375.257 3.024 20 0 GGADMN O[C@@H](CNCc1cn(-c2cccc(Cl)c2Cl)nn1)Cc1ccccc1 ZINC000576308380 566333608 /nfs/dbraw/zinc/33/36/08/566333608.db2.gz ONRLCBZBAKNEQM-OAHLLOKOSA-N 0 1 377.275 3.267 20 0 GGADMN Fc1ccc(Br)c(F)c1CN1CCC(N2CCOCC2)CC1 ZINC000625545580 566334544 /nfs/dbraw/zinc/33/45/44/566334544.db2.gz WLXKNLFCXKEBGL-UHFFFAOYSA-N 0 1 375.257 3.024 20 0 GGADMN Cc1nc([C@@H](C)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n[nH]1 ZINC000556809904 566334603 /nfs/dbraw/zinc/33/46/03/566334603.db2.gz VHSJHPASAQPEFP-LLVKDONJSA-N 0 1 392.301 3.287 20 0 GGADMN O=C(Nc1cccc(I)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000482804204 566334765 /nfs/dbraw/zinc/33/47/65/566334765.db2.gz ZFNROWXIZNRILK-GFCCVEGCSA-N 0 1 382.205 3.213 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)C1 ZINC000576309890 566335049 /nfs/dbraw/zinc/33/50/49/566335049.db2.gz KQDQSPGEBRQOTK-KBPBESRZSA-N 0 1 391.313 3.190 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC(N2CCOCC2)CC1 ZINC000625550221 566335537 /nfs/dbraw/zinc/33/55/37/566335537.db2.gz QRTAYFDSQLMBMY-CYBMUJFWSA-N 0 1 386.323 3.117 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[nH]1 ZINC000648969156 566335500 /nfs/dbraw/zinc/33/55/00/566335500.db2.gz QREQSINNPJUDOU-LLVKDONJSA-N 0 1 375.885 3.014 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000648969156 566335509 /nfs/dbraw/zinc/33/55/09/566335509.db2.gz QREQSINNPJUDOU-LLVKDONJSA-N 0 1 375.885 3.014 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C)C1 ZINC000576309891 566335511 /nfs/dbraw/zinc/33/55/11/566335511.db2.gz KQDQSPGEBRQOTK-OKILXGFUSA-N 0 1 391.313 3.190 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCOCC2)CC1 ZINC000625549238 566335837 /nfs/dbraw/zinc/33/58/37/566335837.db2.gz QOIVIWPUSLIGMJ-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000625549708 566336070 /nfs/dbraw/zinc/33/60/70/566336070.db2.gz MLGVMVJRGCZWKY-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccsc1 ZINC000669939292 566336690 /nfs/dbraw/zinc/33/66/90/566336690.db2.gz SCWRNZRFPGPJQL-OAHLLOKOSA-N 0 1 377.941 3.397 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccsc1 ZINC000669938688 566337153 /nfs/dbraw/zinc/33/71/53/566337153.db2.gz VGONZMQRAKMXLB-GFCCVEGCSA-N 0 1 399.347 3.449 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cnc(C2CC2)s1 ZINC000556847709 566337794 /nfs/dbraw/zinc/33/77/94/566337794.db2.gz ODXCAAPPFKYUAI-UHFFFAOYSA-N 0 1 385.942 3.050 20 0 GGADMN C[C@@H](CNC(=O)c1cc2cc(Br)ccc2s1)N1CCN(C)CC1 ZINC000625570702 566338841 /nfs/dbraw/zinc/33/88/41/566338841.db2.gz NSZRMLIBJKYNHF-LBPRGKRZSA-N 0 1 396.354 3.030 20 0 GGADMN Cc1c([C@H](C)NCCN(C)CC(F)(F)F)nnn1-c1cccc(Cl)c1 ZINC000482891519 566340896 /nfs/dbraw/zinc/34/08/96/566340896.db2.gz XCZQPYHWPUXBDD-NSHDSACASA-N 0 1 375.826 3.374 20 0 GGADMN 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GGADMN C[C@@H]1[C@H](C)N(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H](C)CN1C ZINC000650151135 566428782 /nfs/dbraw/zinc/42/87/82/566428782.db2.gz GKFJVVSTSWDTCW-MJBXVCDLSA-N 0 1 391.313 3.188 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)cc1OC ZINC000650145594 566428816 /nfs/dbraw/zinc/42/88/16/566428816.db2.gz NJYWFHCMVUNFBT-UPJWGTAASA-N 0 1 399.329 3.410 20 0 GGADMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cn1 ZINC000447777953 566428880 /nfs/dbraw/zinc/42/88/80/566428880.db2.gz NUKQVXFWRUQZOR-UHFFFAOYSA-N 0 1 376.356 3.410 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C)CN1C ZINC000650151297 566428937 /nfs/dbraw/zinc/42/89/37/566428937.db2.gz JMRGTMQFGXMWSV-MJBXVCDLSA-N 0 1 391.313 3.188 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@@H](C)CN1C ZINC000650151132 566428978 /nfs/dbraw/zinc/42/89/78/566428978.db2.gz GKFJVVSTSWDTCW-BFHYXJOUSA-N 0 1 391.313 3.188 20 0 GGADMN CC[C@@H](NCCOc1ccc(I)cc1)c1ccn(C)n1 ZINC000511037063 566429754 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CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 ZINC000447875687 566443410 /nfs/dbraw/zinc/44/34/10/566443410.db2.gz TWPLGKXPOXXOME-MRVPVSSYSA-N 0 1 380.367 3.126 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n[nH]1 ZINC000447875688 566443432 /nfs/dbraw/zinc/44/34/32/566443432.db2.gz TWPLGKXPOXXOME-QMMMGPOBSA-N 0 1 380.367 3.126 20 0 GGADMN CSc1cccc(NS(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)n1 ZINC000577537945 566444061 /nfs/dbraw/zinc/44/40/61/566444061.db2.gz FXMVXPBDUVCUBN-UHFFFAOYSA-N 0 1 378.454 3.238 20 0 GGADMN COc1cc(C)c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C)c1C ZINC000558037812 566444533 /nfs/dbraw/zinc/44/45/33/566444533.db2.gz JYPUKNVJRWDSIK-UHFFFAOYSA-N 0 1 377.388 3.180 20 0 GGADMN CSc1cccc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c1 ZINC000558038029 566444570 /nfs/dbraw/zinc/44/45/70/566444570.db2.gz OYAQQTVIHFZQFK-UHFFFAOYSA-N 0 1 384.866 3.194 20 0 GGADMN COc1cc(OC)cc(OCCCNCc2c(Br)c(C)nn2C)c1 ZINC000447895235 566445015 /nfs/dbraw/zinc/44/50/15/566445015.db2.gz 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GGADMN CCCN(CCN1CCCC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000511336053 566455207 /nfs/dbraw/zinc/45/52/07/566455207.db2.gz WNXRQJPBRJLYPX-UHFFFAOYSA-N 0 1 393.322 3.085 20 0 GGADMN CC(=O)NCC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000558155548 566455516 /nfs/dbraw/zinc/45/55/16/566455516.db2.gz UKZLCUXZTXEMAP-HIFRSBDPSA-N 0 1 396.329 3.014 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000511357302 566456509 /nfs/dbraw/zinc/45/65/09/566456509.db2.gz FBJGZIJUSNUVIK-KGLIPLIRSA-N 0 1 395.855 3.083 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000511357306 566456897 /nfs/dbraw/zinc/45/68/97/566456897.db2.gz FBJGZIJUSNUVIK-ZIAGYGMSSA-N 0 1 395.855 3.083 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c1Br ZINC000448117067 566458540 /nfs/dbraw/zinc/45/85/40/566458540.db2.gz UXJVGTODUZWASR-UHFFFAOYSA-N 0 1 380.267 3.445 20 0 GGADMN CCCc1cc(C(=O)N2CCN(c3cccc(Br)c3)CC2)n[nH]1 ZINC000671915338 566458554 /nfs/dbraw/zinc/45/85/54/566458554.db2.gz 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COC(=O)[C@@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)c1cccs1 ZINC000464405412 566474269 /nfs/dbraw/zinc/47/42/69/566474269.db2.gz KWICRXDIYBYRLX-ZDUSSCGKSA-N 0 1 391.923 3.316 20 0 GGADMN O=C(c1sc2cccc(Cl)c2c1Cl)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627255310 566474488 /nfs/dbraw/zinc/47/44/88/566474488.db2.gz PXJZAZYJKPTABQ-WDEREUQCSA-N 0 1 385.316 3.489 20 0 GGADMN OCCN(CCOCC(F)(F)C(F)F)Cc1ccc(Br)s1 ZINC000485100949 566474660 /nfs/dbraw/zinc/47/46/60/566474660.db2.gz CUAYKPAJKPKCIU-UHFFFAOYSA-N 0 1 394.228 3.222 20 0 GGADMN CC(C)CN(C(=O)CN[C@@](C)(CO)c1ccc(Br)cc1)C(C)C ZINC000511599137 566474703 /nfs/dbraw/zinc/47/47/03/566474703.db2.gz YRKGEALEJLQHHL-SFHVURJKSA-N 0 1 385.346 3.139 20 0 GGADMN O=C(c1sc2cccc(Cl)c2c1Cl)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627255308 566474750 /nfs/dbraw/zinc/47/47/50/566474750.db2.gz PXJZAZYJKPTABQ-MNOVXSKESA-N 0 1 385.316 3.489 20 0 GGADMN O=C(Cc1cccc(Br)c1)NCC1(N2CCOCC2)CCCCC1 ZINC000511596614 566474950 /nfs/dbraw/zinc/47/49/50/566474950.db2.gz 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/nfs/dbraw/zinc/47/56/59/566475659.db2.gz JIVRASBUXRPOCS-UHFFFAOYSA-N 0 1 380.214 3.306 20 0 GGADMN Cc1nc(S(=O)(=O)NC(C)(C)c2cccs2)sc1Br ZINC000537839115 566475891 /nfs/dbraw/zinc/47/58/91/566475891.db2.gz WRAUEDCYWKSCEZ-UHFFFAOYSA-N 0 1 381.342 3.489 20 0 GGADMN CC[C@H](C(=O)OC)N1CCN(CC/C=C\c2ccc(Br)cc2)CC1 ZINC000511624410 566476466 /nfs/dbraw/zinc/47/64/66/566476466.db2.gz PAKWHPBXABWHBW-WLPBJKJWSA-N 0 1 395.341 3.422 20 0 GGADMN O=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1cccnc1 ZINC000448539726 566477080 /nfs/dbraw/zinc/47/70/80/566477080.db2.gz WKCXNOOVHCVQMA-UHFFFAOYSA-N 0 1 380.223 3.300 20 0 GGADMN OCCN(Cc1ccc(Br)s1)C[C@@H](O)CCc1ccccc1 ZINC000485131063 566478487 /nfs/dbraw/zinc/47/84/87/566478487.db2.gz MDZKRXNATIDCBD-HNNXBMFYSA-N 0 1 384.339 3.299 20 0 GGADMN CC1(C)CCC[C@]1(O)CNCc1cn(-c2ccccc2Br)nn1 ZINC000577967215 566478996 /nfs/dbraw/zinc/47/89/96/566478996.db2.gz UTGMQARPACTNKS-KRWDZBQOSA-N 0 1 379.302 3.061 20 0 GGADMN Cc1ccc(CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cc1O ZINC000537916703 566479333 /nfs/dbraw/zinc/47/93/33/566479333.db2.gz PQYZDHNNBPFXLQ-UHFFFAOYSA-N 0 1 387.237 3.429 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCC(C)(CO)CC3)C2=O)ccc1Br ZINC000464496076 566479742 /nfs/dbraw/zinc/47/97/42/566479742.db2.gz KQENMYNSZSHNGC-QGZVFWFLSA-N 0 1 395.341 3.347 20 0 GGADMN COC(=O)c1cc(CN[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)on1 ZINC000602581505 566480499 /nfs/dbraw/zinc/48/04/99/566480499.db2.gz IVSVXWKXHYQUTK-ZUZCIYMTSA-N 0 1 383.242 3.090 20 0 GGADMN CC(C)c1nc([C@@H](C)NCc2ccc(I)s2)n[nH]1 ZINC000602577018 566480535 /nfs/dbraw/zinc/48/05/35/566480535.db2.gz FKDMPFABXHSJPQ-MRVPVSSYSA-N 0 1 376.267 3.445 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc2c(cc1Br)OCCO2 ZINC000511680008 566481390 /nfs/dbraw/zinc/48/13/90/566481390.db2.gz HHESBKLUOYDVSI-WRHMKCCWSA-N 0 1 380.282 3.076 20 0 GGADMN OC[C@H]1CN(CCOc2ccc(Br)cc2)CC[C@H]1C(F)(F)F ZINC000511684836 566481680 /nfs/dbraw/zinc/48/16/80/566481680.db2.gz WJIGJNJCMYFXLD-BXUZGUMPSA-N 0 1 382.220 3.321 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000577987057 566482388 /nfs/dbraw/zinc/48/23/88/566482388.db2.gz AHLPPBKXAUXUNQ-LLVKDONJSA-N 0 1 393.285 3.226 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000464536311 566482695 /nfs/dbraw/zinc/48/26/95/566482695.db2.gz BKBIXGIVMBOLQW-JCNLHEQBSA-N 0 1 380.330 3.431 20 0 GGADMN Cc1nc(COc2ccc(CNc3ccnc(C)c3Br)cc2)no1 ZINC000578001962 566482832 /nfs/dbraw/zinc/48/28/32/566482832.db2.gz RIOBLYLOQUWKDW-UHFFFAOYSA-N 0 1 389.253 3.457 20 0 GGADMN CO[C@H](CNCc1ccc(Cl)cc1I)[C@@H]1CCOC1 ZINC000602638933 566483289 /nfs/dbraw/zinc/48/32/89/566483289.db2.gz YPEIJKCAPBVROU-BXUZGUMPSA-N 0 1 395.668 3.086 20 0 GGADMN CCCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464552918 566484026 /nfs/dbraw/zinc/48/40/26/566484026.db2.gz HIODVODGBAICEH-ZDUSSCGKSA-N 0 1 379.258 3.055 20 0 GGADMN CO[C@@H](CNCc1ccc(Cl)cc1I)[C@@H]1CCOC1 ZINC000602638935 566484251 /nfs/dbraw/zinc/48/42/51/566484251.db2.gz YPEIJKCAPBVROU-RISCZKNCSA-N 0 1 395.668 3.086 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cn(-c2ccccc2)nn1 ZINC000464554178 566484368 /nfs/dbraw/zinc/48/43/68/566484368.db2.gz DGBYJBCAHZNCDV-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1Cl ZINC000511722328 566484674 /nfs/dbraw/zinc/48/46/74/566484674.db2.gz IPHNWLHLLJXUMX-OAHLLOKOSA-N 0 1 392.830 3.339 20 0 GGADMN COc1cccc(OCC(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000464551443 566484613 /nfs/dbraw/zinc/48/46/13/566484613.db2.gz BUVQOSYWYDKQDY-UHFFFAOYSA-N 0 1 376.210 3.352 20 0 GGADMN C[C@H]1[C@H](NC(=O)C(=O)Nc2ccsc2Cl)CCN1Cc1ccccc1 ZINC000511737140 566484890 /nfs/dbraw/zinc/48/48/90/566484890.db2.gz MIODZDPXXHEQJN-GXTWGEPZSA-N 0 1 377.897 3.119 20 0 GGADMN Cc1cccn2cc(CCNS(=O)(=O)c3c(Cl)ccc(F)c3F)nc12 ZINC000672388432 566485618 /nfs/dbraw/zinc/48/56/18/566485618.db2.gz DSNUOJJRLPPJET-UHFFFAOYSA-N 0 1 385.823 3.095 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@H]1CC(=O)Nc2ccccc21 ZINC000464570314 566485635 /nfs/dbraw/zinc/48/56/35/566485635.db2.gz LRGCXWYUQCDHOL-NSHDSACASA-N 0 1 385.221 3.390 20 0 GGADMN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464561378 566485674 /nfs/dbraw/zinc/48/56/74/566485674.db2.gz UHLKOMOIJSNABJ-PSLIRLAXSA-N 0 1 388.221 3.492 20 0 GGADMN CCC(CC)N1C[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)CC1=O ZINC000464560626 566485878 /nfs/dbraw/zinc/48/58/78/566485878.db2.gz YSQGCKYHAHBZLD-JTQLQIEISA-N 0 1 393.285 3.301 20 0 GGADMN CNS(=O)(=O)c1cc(NC(=O)c2cc3cccc(C)c3s2)ccc1O ZINC000578050806 566486082 /nfs/dbraw/zinc/48/60/82/566486082.db2.gz ITDVEQDJNKHSBU-UHFFFAOYSA-N 0 1 376.459 3.076 20 0 GGADMN COc1ccccc1OCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464558095 566486208 /nfs/dbraw/zinc/48/62/08/566486208.db2.gz XQDKUYIURBAIFX-UHFFFAOYSA-N 0 1 376.210 3.352 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(-n2cccn2)ccn1 ZINC000464556099 566486327 /nfs/dbraw/zinc/48/63/27/566486327.db2.gz JVOWKJFQIDCCPO-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN Cc1ccc(-n2cc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)nn2)cc1 ZINC000464554956 566486362 /nfs/dbraw/zinc/48/63/62/566486362.db2.gz GYWVVZDUVVMNKT-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN Cc1cc(C)nc(SCC(=O)Nc2nc3ccc(Br)cc3[nH]2)n1 ZINC000464557686 566486427 /nfs/dbraw/zinc/48/64/27/566486427.db2.gz XDOZRVLKBSXPEM-UHFFFAOYSA-N 0 1 392.282 3.463 20 0 GGADMN O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464575663 566487050 /nfs/dbraw/zinc/48/70/50/566487050.db2.gz BIPYPHLULKKWMO-UHFFFAOYSA-N 0 1 388.221 3.278 20 0 GGADMN CC(=O)Nc1ccc(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000464578724 566487084 /nfs/dbraw/zinc/48/70/84/566487084.db2.gz OOTWXAXCPNITKS-UHFFFAOYSA-N 0 1 387.237 3.465 20 0 GGADMN C[S@@](=O)Cc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000464571849 566487163 /nfs/dbraw/zinc/48/71/63/566487163.db2.gz QESYUFKVMYCHMK-HSZRJFAPSA-N 0 1 392.278 3.456 20 0 GGADMN COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C2 ZINC000672400666 566487136 /nfs/dbraw/zinc/48/71/36/566487136.db2.gz WYQRIKQPUJDQGF-LBPRGKRZSA-N 0 1 387.835 3.463 20 0 GGADMN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464570882 566487337 /nfs/dbraw/zinc/48/73/37/566487337.db2.gz NZWGYDGORFTOQP-CMPLNLGQSA-N 0 1 382.258 3.238 20 0 GGADMN Cc1nn(C)c2ncc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)cc12 ZINC000464571115 566487443 /nfs/dbraw/zinc/48/74/43/566487443.db2.gz CKAWNQXRCUZHPG-UHFFFAOYSA-N 0 1 385.225 3.168 20 0 GGADMN Clc1cc(I)ccc1CNCc1c[nH]c2nccnc12 ZINC000578057323 566487578 /nfs/dbraw/zinc/48/75/78/566487578.db2.gz WQFDNGRFKRDRTM-UHFFFAOYSA-N 0 1 398.635 3.457 20 0 GGADMN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464579286 566488967 /nfs/dbraw/zinc/48/89/67/566488967.db2.gz SPIASDSNCRCFHM-AWEZNQCLSA-N 0 1 393.285 3.301 20 0 GGADMN Cn1ncc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1-n1cccc1 ZINC000464580479 566489235 /nfs/dbraw/zinc/48/92/35/566489235.db2.gz JODPFVOOKLZDPW-UHFFFAOYSA-N 0 1 385.225 3.102 20 0 GGADMN CCC(=O)N1CCCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464581582 566489325 /nfs/dbraw/zinc/48/93/25/566489325.db2.gz QDHCIJISDYXWFP-ZDUSSCGKSA-N 0 1 379.258 3.055 20 0 GGADMN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464579287 566489511 /nfs/dbraw/zinc/48/95/11/566489511.db2.gz SPIASDSNCRCFHM-CQSZACIVSA-N 0 1 393.285 3.301 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCC(CN3CCOCC3)CC2)cc1Br ZINC000448718123 566489809 /nfs/dbraw/zinc/48/98/09/566489809.db2.gz TVFQQWMCHIBAIL-UHFFFAOYSA-N 0 1 395.341 3.250 20 0 GGADMN Cc1cc(C)cc(CS(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)c1 ZINC000558588882 566489820 /nfs/dbraw/zinc/48/98/20/566489820.db2.gz MTIWNRPSIWBIJQ-UHFFFAOYSA-N 0 1 381.519 3.427 20 0 GGADMN C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000578073609 566489928 /nfs/dbraw/zinc/48/99/28/566489928.db2.gz SDLOKCGDNXYIFY-JTQLQIEISA-N 0 1 390.839 3.440 20 0 GGADMN Cc1cnc([C@@H](C)CNCc2ncc(I)s2)s1 ZINC000511969685 566499927 /nfs/dbraw/zinc/49/99/27/566499927.db2.gz CRCYOEVCRPWIRB-ZETCQYMHSA-N 0 1 379.292 3.406 20 0 GGADMN CCn1cc(Br)cc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000511836339 566491427 /nfs/dbraw/zinc/49/14/27/566491427.db2.gz YBPGARWGLNHBNN-INIZCTEOSA-N 0 1 382.277 3.442 20 0 GGADMN CN(C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000511855237 566492687 /nfs/dbraw/zinc/49/26/87/566492687.db2.gz NCEIRBVGEPSCTH-UHFFFAOYSA-N 0 1 397.338 3.202 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Cl)c(O)cc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000672485735 566493730 /nfs/dbraw/zinc/49/37/30/566493730.db2.gz HACCSBKTGNJVSD-QMMMGPOBSA-N 0 1 375.780 3.125 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1Cl ZINC000485387879 566493923 /nfs/dbraw/zinc/49/39/23/566493923.db2.gz VRSFJQRFXDMOLV-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485393882 566494038 /nfs/dbraw/zinc/49/40/38/566494038.db2.gz DJVPQDLLRHORMP-UHFFFAOYSA-N 0 1 387.288 3.425 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1 ZINC000538131775 566494049 /nfs/dbraw/zinc/49/40/49/566494049.db2.gz PTAYNGSXPQSUPM-UHFFFAOYSA-N 0 1 383.491 3.068 20 0 GGADMN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000538139270 566495491 /nfs/dbraw/zinc/49/54/91/566495491.db2.gz MQTFTOOGQMFEEB-UHFFFAOYSA-N 0 1 398.893 3.167 20 0 GGADMN Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485397909 566495501 /nfs/dbraw/zinc/49/55/01/566495501.db2.gz ZYCGWVNWZWHVJH-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN C[C@H]1C[C@@]1(NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(Cl)cc1 ZINC000558629157 566495557 /nfs/dbraw/zinc/49/55/57/566495557.db2.gz WMQHLQOKXHJEFA-SGTLLEGYSA-N 0 1 375.881 3.187 20 0 GGADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000672553732 566496321 /nfs/dbraw/zinc/49/63/21/566496321.db2.gz XWTAJZSMRKDIKO-DYVFJYSZSA-N 0 1 399.292 3.435 20 0 GGADMN OCCCN(Cc1ccccn1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000672555954 566496995 /nfs/dbraw/zinc/49/69/95/566496995.db2.gz ODMLMTBUMDYUDP-OAHLLOKOSA-N 0 1 385.291 3.013 20 0 GGADMN COC1CCC(CCNCc2ncc(I)s2)CC1 ZINC000511920387 566497071 /nfs/dbraw/zinc/49/70/71/566497071.db2.gz FEBAKOJVCWIHFE-UHFFFAOYSA-N 0 1 380.295 3.433 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CC1)NCC(=O)c1cccs1 ZINC000538177811 566497292 /nfs/dbraw/zinc/49/72/92/566497292.db2.gz GHHWGTNDHNLNBZ-UHFFFAOYSA-N 0 1 393.306 3.088 20 0 GGADMN O=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000485419532 566497588 /nfs/dbraw/zinc/49/75/88/566497588.db2.gz UQJGEJSXDDDYMH-UHFFFAOYSA-N 0 1 383.260 3.434 20 0 GGADMN CC(=O)NCC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000672576595 566497969 /nfs/dbraw/zinc/49/79/69/566497969.db2.gz XWRQBJPBKSDJGT-DZGCQCFKSA-N 0 1 396.329 3.014 20 0 GGADMN O=[S@](CCN1CC[C@@H](Oc2cncc(Br)c2)C1)c1ccccc1 ZINC000602882628 566498003 /nfs/dbraw/zinc/49/80/03/566498003.db2.gz OMBMKFAJXXSLBP-IQMFZBJNSA-N 0 1 395.322 3.105 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCC[C@](C)(O)C3)C2=O)ccc1Br ZINC000464694793 566498658 /nfs/dbraw/zinc/49/86/58/566498658.db2.gz XYIVSHIRAODLKA-AEFFLSMTSA-N 0 1 381.314 3.100 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCC[C@@](C)(O)C3)C2=O)ccc1Br ZINC000464694795 566498783 /nfs/dbraw/zinc/49/87/83/566498783.db2.gz XYIVSHIRAODLKA-SJLPKXTDSA-N 0 1 381.314 3.100 20 0 GGADMN O=C(NCCc1c[nH]c2cccc(Br)c12)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000578183770 566498965 /nfs/dbraw/zinc/49/89/65/566498965.db2.gz JVINVYKTJMPIGU-ZDUSSCGKSA-N 0 1 391.313 3.009 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCOC[C@@H](C)C3)C2=O)ccc1Br ZINC000464689855 566499168 /nfs/dbraw/zinc/49/91/68/566499168.db2.gz KYHAKEUPLOCFAP-SUMWQHHRSA-N 0 1 381.314 3.221 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000538224226 566499804 /nfs/dbraw/zinc/49/98/04/566499804.db2.gz RBFJPASMONSAOJ-VHSXEESVSA-N 0 1 386.308 3.393 20 0 GGADMN O=S1(=O)CC[C@H](NC[C@H](CO)c2ccc(Cl)cc2)c2cc(F)ccc21 ZINC000672619170 566499853 /nfs/dbraw/zinc/49/98/53/566499853.db2.gz JRWIDVPNRAAJNC-DYVFJYSZSA-N 0 1 383.872 3.063 20 0 GGADMN CC(C)C[C@H]1OCCC[C@H]1NCc1ncc(I)s1 ZINC000511961739 566499755 /nfs/dbraw/zinc/49/97/55/566499755.db2.gz UIIJZDAOCLWUIY-GHMZBOCLSA-N 0 1 380.295 3.431 20 0 GGADMN O=c1[nH]nc(SCc2cccc(OC(F)(F)F)c2)n1C[C@@H]1CCCO1 ZINC000651182044 566500830 /nfs/dbraw/zinc/50/08/30/566500830.db2.gz JQMIMYZQMHUOSG-LBPRGKRZSA-N 0 1 375.372 3.354 20 0 GGADMN COC(=O)[C@@]1(C)CN(Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1C ZINC000602928164 566500831 /nfs/dbraw/zinc/50/08/31/566500831.db2.gz XRMUOOQHPYSSKK-GTNSWQLSSA-N 0 1 394.269 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000672676327 566501200 /nfs/dbraw/zinc/50/12/00/566501200.db2.gz TVSLLQFCONQVKS-HOCLYGCPSA-N 0 1 381.929 3.080 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000485471828 566501333 /nfs/dbraw/zinc/50/13/33/566501333.db2.gz YXUFUAAMODSEIA-CQSZACIVSA-N 0 1 398.326 3.255 20 0 GGADMN O=C(Cc1cc(F)ccc1Br)N1CCNC[C@H]1c1ccccc1 ZINC000423999040 566501993 /nfs/dbraw/zinc/50/19/93/566501993.db2.gz MWOCZBPVOFENLM-KRWDZBQOSA-N 0 1 377.257 3.304 20 0 GGADMN O=C(COc1cccc(Br)c1)N1CCNC[C@@H]1c1ccccc1 ZINC000424012253 566502058 /nfs/dbraw/zinc/50/20/58/566502058.db2.gz ZSPGKIGAABTSRI-QGZVFWFLSA-N 0 1 375.266 3.001 20 0 GGADMN O=C(COc1ccccc1Br)N1CCNC[C@@H]1c1ccccc1 ZINC000424004039 566502320 /nfs/dbraw/zinc/50/23/20/566502320.db2.gz RPDLSLPDHAQPAB-MRXNPFEDSA-N 0 1 375.266 3.001 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000511984157 566502565 /nfs/dbraw/zinc/50/25/65/566502565.db2.gz QOTDLLCPORLHQG-UHFFFAOYSA-N 0 1 384.437 3.244 20 0 GGADMN C[C@@H](CNCc1ncc(I)s1)Oc1ccc(F)cc1 ZINC000511990482 566502643 /nfs/dbraw/zinc/50/26/43/566502643.db2.gz OKFFMNXTFORTOU-VIFPVBQESA-N 0 1 392.237 3.444 20 0 GGADMN COc1cc(C(=O)N2CCNC[C@@H]2c2ccccc2)sc1Br ZINC000423999021 566502546 /nfs/dbraw/zinc/50/25/46/566502546.db2.gz MVUKBSLPOISASO-GFCCVEGCSA-N 0 1 381.295 3.306 20 0 GGADMN Cc1sccc1CNCC(=O)Nc1ccc(I)cc1 ZINC000559303367 566541120 /nfs/dbraw/zinc/54/11/20/566541120.db2.gz SYNNVBFLQCXSRT-UHFFFAOYSA-N 0 1 386.258 3.389 20 0 GGADMN CC(C)O[C@H]1C[C@H](NCc2ncc(I)s2)C1(C)C ZINC000511987586 566502749 /nfs/dbraw/zinc/50/27/49/566502749.db2.gz GPZJLORERIKQKU-UWVGGRQHSA-N 0 1 380.295 3.429 20 0 GGADMN C[C@H](CNCc1ncc(I)s1)Oc1ccc(F)cc1 ZINC000511990481 566503102 /nfs/dbraw/zinc/50/31/02/566503102.db2.gz OKFFMNXTFORTOU-SECBINFHSA-N 0 1 392.237 3.444 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCOc2cccc(Br)c2)O1 ZINC000558740309 566503473 /nfs/dbraw/zinc/50/34/73/566503473.db2.gz YPNIHKPWDPGLKE-YYQUZTFQSA-N 0 1 398.297 3.011 20 0 GGADMN CC(C)[C@H]1CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CCS1 ZINC000464769683 566503650 /nfs/dbraw/zinc/50/36/50/566503650.db2.gz JALWNSOAKAXDAE-GOSISDBHSA-N 0 1 381.973 3.062 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000485499578 566504667 /nfs/dbraw/zinc/50/46/67/566504667.db2.gz XTLIHGDCEMAPSM-UHFFFAOYSA-N 0 1 375.173 3.383 20 0 GGADMN O=C1C[C@@]2(CN1)CCCN(Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000464799680 566504802 /nfs/dbraw/zinc/50/48/02/566504802.db2.gz RFWZBDUBYDNZPO-GOSISDBHSA-N 0 1 390.281 3.206 20 0 GGADMN CCOCCN1CCN(Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000538306871 566505413 /nfs/dbraw/zinc/50/54/13/566505413.db2.gz DMIDJMCFWJWJQA-UHFFFAOYSA-N 0 1 393.272 3.205 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000485501910 566505589 /nfs/dbraw/zinc/50/55/89/566505589.db2.gz GLXMIRLDHUSDTP-MRXNPFEDSA-N 0 1 381.314 3.186 20 0 GGADMN CCN(CCNC(=O)Nc1cc(C(=O)OC)sc1C)CCC(F)(F)F ZINC000603046747 566506238 /nfs/dbraw/zinc/50/62/38/566506238.db2.gz WLAOIAGIDSCSEE-UHFFFAOYSA-N 0 1 381.420 3.239 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(Cl)cncc2Cl)c1 ZINC000485503028 566506736 /nfs/dbraw/zinc/50/67/36/566506736.db2.gz JKCXBERAWQKDNO-UHFFFAOYSA-N 0 1 375.233 3.140 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000464851439 566506891 /nfs/dbraw/zinc/50/68/91/566506891.db2.gz KAIOPHXEHNRPDT-CYBMUJFWSA-N 0 1 385.961 3.167 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000672811930 566507079 /nfs/dbraw/zinc/50/70/79/566507079.db2.gz AVNVPMXFMAXTNH-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN COCCOc1ccc(F)cc1NS(=O)(=O)CCc1ccc(Cl)cc1 ZINC000424066285 566507249 /nfs/dbraw/zinc/50/72/49/566507249.db2.gz MZECOEDPEDVSNW-UHFFFAOYSA-N 0 1 387.860 3.489 20 0 GGADMN CC[C@H](C)[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(F)(F)F ZINC000578287857 566507827 /nfs/dbraw/zinc/50/78/27/566507827.db2.gz MFWUAMFFWFLRCR-RTHLEPHNSA-N 0 1 398.834 3.480 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)NCc1ccc2c(=N)[nH]oc2c1 ZINC000627800530 566508287 /nfs/dbraw/zinc/50/82/87/566508287.db2.gz SUQQADYTAFDWPJ-UHFFFAOYSA-N 0 1 377.242 3.315 20 0 GGADMN Cc1ccc(F)c(C(=O)Nc2ccn(-c3ccncc3)n2)c1Br ZINC000485543991 566509278 /nfs/dbraw/zinc/50/92/78/566509278.db2.gz JMXZDPMNZBZDBZ-UHFFFAOYSA-N 0 1 375.201 3.152 20 0 GGADMN COc1ccc(CNCCNC(=O)c2c(F)cccc2F)c(Br)c1 ZINC000512052035 566509188 /nfs/dbraw/zinc/50/91/88/566509188.db2.gz KZNUYKQNSAIDJE-UHFFFAOYSA-N 0 1 399.235 3.256 20 0 GGADMN O=C(NCc1c[nH]nn1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000672854238 566511286 /nfs/dbraw/zinc/51/12/86/566511286.db2.gz 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C[C@@H]1CN(CCSc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@H](C)O1 ZINC000578454099 566523414 /nfs/dbraw/zinc/52/34/14/566523414.db2.gz PPSCVUCVXUVROB-TXEJJXNPSA-N 0 1 397.342 3.436 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC2(CCC2)C1 ZINC000449035794 566524120 /nfs/dbraw/zinc/52/41/20/566524120.db2.gz QFTBXLMIZMYFBA-CYBMUJFWSA-N 0 1 381.314 3.338 20 0 GGADMN CNS(=O)(=O)c1cc(NC(=O)c2cc3c(cccc3Cl)s2)ccc1O ZINC000673129271 566525231 /nfs/dbraw/zinc/52/52/31/566525231.db2.gz MWHSZYGDVOIDQH-UHFFFAOYSA-N 0 1 396.877 3.421 20 0 GGADMN CC(=O)c1ccc(OC[C@H](O)CNCc2cc(F)ccc2Br)cc1 ZINC000559071441 566525281 /nfs/dbraw/zinc/52/52/81/566525281.db2.gz BOSZCORVIKAVSR-MRXNPFEDSA-N 0 1 396.256 3.320 20 0 GGADMN C[C@]1(n2cc(CN[C@@H]3CCCc4sc(Cl)cc43)cn2)CCS(=O)(=O)C1 ZINC000559078865 566525316 /nfs/dbraw/zinc/52/53/16/566525316.db2.gz CESLLLXGNPYXBF-PBHICJAKSA-N 0 1 399.969 3.299 20 0 GGADMN C[C@@H](NC(=O)c1ncn[nH]1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000512328323 566526138 /nfs/dbraw/zinc/52/61/38/566526138.db2.gz 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CC[C@H](NCC(=O)NC(=O)NCC(C)C)c1cc(F)cc(Br)c1 ZINC000485830717 566531427 /nfs/dbraw/zinc/53/14/27/566531427.db2.gz NHPSIHXCPVKGCI-AWEZNQCLSA-N 0 1 388.281 3.111 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)NC(=O)NC(C)C)c1cc(F)cc(Br)c1 ZINC000485829803 566531504 /nfs/dbraw/zinc/53/15/04/566531504.db2.gz LGCUBKVUSWTOEQ-YGRLFVJLSA-N 0 1 388.281 3.252 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628122473 566531547 /nfs/dbraw/zinc/53/15/47/566531547.db2.gz YMEUYWRKZAULQI-UHFFFAOYSA-N 0 1 381.314 3.003 20 0 GGADMN O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC(N2CCOCC2)CC1 ZINC000628124874 566531587 /nfs/dbraw/zinc/53/15/87/566531587.db2.gz ALTBSSWYAYLPJW-ROUUACIJSA-N 0 1 383.319 3.420 20 0 GGADMN O=C(Cc1csc2ccc(Cl)cc12)N1CCC(N2CCOCC2)CC1 ZINC000628124602 566531615 /nfs/dbraw/zinc/53/16/15/566531615.db2.gz NLGMMIWHNILGKQ-UHFFFAOYSA-N 0 1 378.925 3.420 20 0 GGADMN Cc1cnc(CNCCC(=O)N(C)Cc2ccccc2Br)s1 ZINC000449141346 566531849 /nfs/dbraw/zinc/53/18/49/566531849.db2.gz PTGYQRGHFJICJM-UHFFFAOYSA-N 0 1 382.327 3.352 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628126107 566531979 /nfs/dbraw/zinc/53/19/79/566531979.db2.gz BSGCATGUBFMPDT-AWEZNQCLSA-N 0 1 385.335 3.495 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1ncc(-c2ccc(Br)cc2)s1 ZINC000673356610 566532125 /nfs/dbraw/zinc/53/21/25/566532125.db2.gz HLEOQFMFRJCBPU-UHFFFAOYSA-N 0 1 378.255 3.262 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCC(N3CCOCC3)CC2)c(C)c1Br ZINC000628121241 566532295 /nfs/dbraw/zinc/53/22/95/566532295.db2.gz XRWMRSOZQWIWAJ-UHFFFAOYSA-N 0 1 395.341 3.311 20 0 GGADMN CC[C@@H](NCC(=O)N[C@@H](C(C)=O)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843791 566532540 /nfs/dbraw/zinc/53/25/40/566532540.db2.gz KSGZJASOTOFAAH-NVXWUHKLSA-N 0 1 387.293 3.359 20 0 GGADMN CC[C@H](NCC(=O)N[C@H](C(C)=O)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843793 566532884 /nfs/dbraw/zinc/53/28/84/566532884.db2.gz KSGZJASOTOFAAH-RDJZCZTQSA-N 0 1 387.293 3.359 20 0 GGADMN CC[C@H](NCC(=O)N[C@@H](C(C)=O)C(C)C)c1cc(F)cc(Br)c1 ZINC000485843789 566532969 /nfs/dbraw/zinc/53/29/69/566532969.db2.gz KSGZJASOTOFAAH-DOTOQJQBSA-N 0 1 387.293 3.359 20 0 GGADMN CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCCC[C@H]2C1 ZINC000578553799 566533419 /nfs/dbraw/zinc/53/34/19/566533419.db2.gz CCOVLSAXZMLJJN-INIZCTEOSA-N 0 1 390.329 3.402 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H](CO)C(C)C ZINC000449172329 566533959 /nfs/dbraw/zinc/53/39/59/566533959.db2.gz CITHXXRYLJKOIA-OAHLLOKOSA-N 0 1 386.279 3.072 20 0 GGADMN Brc1ccccc1-n1cc(CNCCCOC2CCCC2)nn1 ZINC000578561369 566533896 /nfs/dbraw/zinc/53/38/96/566533896.db2.gz ADDBIQVMBXLXGV-UHFFFAOYSA-N 0 1 379.302 3.469 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)NC(=O)NC1CC1)c1cc(F)cc(Br)c1 ZINC000485854179 566534077 /nfs/dbraw/zinc/53/40/77/566534077.db2.gz VQNVIQMDYZJQSX-OTYXRUKQSA-N 0 1 386.265 3.006 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1cc(F)cc(Br)c1 ZINC000485854177 566534309 /nfs/dbraw/zinc/53/43/09/566534309.db2.gz VQNVIQMDYZJQSX-LKFCYVNXSA-N 0 1 386.265 3.006 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)NCCCOC)c1cc(F)cc(Br)c1 ZINC000485854815 566534409 /nfs/dbraw/zinc/53/44/09/566534409.db2.gz YBQIKHUYRSIVIS-IAQYHMDHSA-N 0 1 375.282 3.170 20 0 GGADMN C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000449189062 566534863 /nfs/dbraw/zinc/53/48/63/566534863.db2.gz OOYGOANACMNABF-SCLBCKFNSA-N 0 1 380.510 3.468 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2Cl)o1 ZINC000559212013 566534887 /nfs/dbraw/zinc/53/48/87/566534887.db2.gz AAXDBNTZGWBCMA-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000673449328 566535457 /nfs/dbraw/zinc/53/54/57/566535457.db2.gz JQQZZXPKXTVDJT-HNNXBMFYSA-N 0 1 378.274 3.039 20 0 GGADMN COCc1nc2n(n1)C[C@@H](NCc1cc(Cl)c(C)cc1Br)CC2 ZINC000449192392 566535629 /nfs/dbraw/zinc/53/56/29/566535629.db2.gz LTNYPBYCQRTNIS-LBPRGKRZSA-N 0 1 399.720 3.253 20 0 GGADMN Cc1cc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ncc1Br ZINC000628155051 566535693 /nfs/dbraw/zinc/53/56/93/566535693.db2.gz OZWQEZWVURVOGY-HLLBOEOZSA-N 0 1 382.346 3.226 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H](C)CCCO ZINC000449195335 566535735 /nfs/dbraw/zinc/53/57/35/566535735.db2.gz UYDNRUYRVILTJJ-LLVKDONJSA-N 0 1 386.279 3.216 20 0 GGADMN COC(=O)c1sccc1S(=O)(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000512454930 566535916 /nfs/dbraw/zinc/53/59/16/566535916.db2.gz YSPYJEWPXBBDDB-ZDUSSCGKSA-N 0 1 393.408 3.425 20 0 GGADMN O=C(CCSc1ccnc2cc(Cl)ccc21)NCCCc1nc[nH]n1 ZINC000673439130 566536127 /nfs/dbraw/zinc/53/61/27/566536127.db2.gz RMWYAAOASNGKRV-UHFFFAOYSA-N 0 1 375.885 3.238 20 0 GGADMN C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000449189063 566536161 /nfs/dbraw/zinc/53/61/61/566536161.db2.gz OOYGOANACMNABF-UGSOOPFHSA-N 0 1 380.510 3.468 20 0 GGADMN Cc1cc(Br)c(CNC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1Cl ZINC000449198936 566536665 /nfs/dbraw/zinc/53/66/65/566536665.db2.gz AOSUXRJTMQAAFA-IUODEOHRSA-N 0 1 389.721 3.136 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000449217646 566536901 /nfs/dbraw/zinc/53/69/01/566536901.db2.gz AROHJEFYEXAUGC-KJWYOANISA-N 0 1 395.341 3.168 20 0 GGADMN CCc1csc(CC(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)n1 ZINC000673452134 566537101 /nfs/dbraw/zinc/53/71/01/566537101.db2.gz HAPIUAHIARFHSM-UHFFFAOYSA-N 0 1 375.885 3.045 20 0 GGADMN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(Br)c2cccnc12 ZINC000512468792 566537408 /nfs/dbraw/zinc/53/74/08/566537408.db2.gz MLOORMKHTUOXNU-GDBMZVCRSA-N 0 1 390.325 3.292 20 0 GGADMN CS(=O)(=O)Cc1ccc(CNCc2cc(F)cc(Br)c2)cc1 ZINC000449217686 566538020 /nfs/dbraw/zinc/53/80/20/566538020.db2.gz AZPVSOULJPQJEA-UHFFFAOYSA-N 0 1 386.286 3.423 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1 ZINC000673484428 566538284 /nfs/dbraw/zinc/53/82/84/566538284.db2.gz OYFQZONETBJBDU-UHFFFAOYSA-N 0 1 384.866 3.194 20 0 GGADMN CC[C@](C)(CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449221168 566538779 /nfs/dbraw/zinc/53/87/79/566538779.db2.gz SJXGBQSVOQSZGL-QGZVFWFLSA-N 0 1 386.279 3.216 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H](C)C[C@H](C)O ZINC000449230711 566539695 /nfs/dbraw/zinc/53/96/95/566539695.db2.gz BEGWELVHXBMOAL-QWRGUYRKSA-N 0 1 386.279 3.215 20 0 GGADMN O=C(NCc1nc2cc(Br)ccc2o1)c1n[nH]nc1-c1ccccc1 ZINC000673539030 566540359 /nfs/dbraw/zinc/54/03/59/566540359.db2.gz OTWRKRHGFGWGIA-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN CCCOC[C@@H](Cc1cccc(Br)c1)NCc1ccnc(OC)n1 ZINC000449248284 566541385 /nfs/dbraw/zinc/54/13/85/566541385.db2.gz JCAGEGVYSAGVGG-QGZVFWFLSA-N 0 1 394.313 3.375 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)c3cnc(-c4ccsc4)s3)CC2)CCO1 ZINC000485938177 566541767 /nfs/dbraw/zinc/54/17/67/566541767.db2.gz IJIXKQBLVPHFAH-CYBMUJFWSA-N 0 1 377.535 3.197 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000673567369 566541906 /nfs/dbraw/zinc/54/19/06/566541906.db2.gz CASHLFXDHZHINX-LJQANCHMSA-N 0 1 378.925 3.376 20 0 GGADMN C[C@@](N)(C(=O)NCCCOc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000578646280 566541938 /nfs/dbraw/zinc/54/19/38/566541938.db2.gz XOUSVWYUFNSJTN-SFHVURJKSA-N 0 1 395.272 3.347 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000651622044 566543668 /nfs/dbraw/zinc/54/36/68/566543668.db2.gz MQODSZVQTPKUOG-NSHDSACASA-N 0 1 384.864 3.043 20 0 GGADMN NC(=O)C[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)c1ccccc1 ZINC000559342571 566544107 /nfs/dbraw/zinc/54/41/07/566544107.db2.gz CVMUDZFKXAXPAT-GOSISDBHSA-N 0 1 399.292 3.341 20 0 GGADMN COc1nccc(CN(Cc2cccc(Br)c2)C2CCOCC2)n1 ZINC000449273271 566544166 /nfs/dbraw/zinc/54/41/66/566544166.db2.gz YKDIBVNQEATGGV-UHFFFAOYSA-N 0 1 392.297 3.429 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000449278022 566544401 /nfs/dbraw/zinc/54/44/01/566544401.db2.gz HJXMYGGFZLIFIZ-HNNXBMFYSA-N 0 1 395.276 3.090 20 0 GGADMN CN1CCC2(CCN(Cc3ccnc4c(Br)cccc34)CC2)C1=O ZINC000449286502 566544483 /nfs/dbraw/zinc/54/44/83/566544483.db2.gz HOVPFTUXLDPGHE-UHFFFAOYSA-N 0 1 388.309 3.442 20 0 GGADMN Cc1cc(N2CCC[C@H](N3C[C@@H](C)N(C)[C@@H](C)C3)C2=O)ccc1Br ZINC000559378035 566545473 /nfs/dbraw/zinc/54/54/73/566545473.db2.gz JTOUUXIHDYCKNN-DAYGRLMNSA-N 0 1 394.357 3.277 20 0 GGADMN CCN1C[C@@H](C)N(c2ncc(Cn3cc(Br)cn3)s2)C[C@H]1C ZINC000485979247 566545947 /nfs/dbraw/zinc/54/59/47/566545947.db2.gz JWCVYLDNYDVBEK-VXGBXAGGSA-N 0 1 384.347 3.069 20 0 GGADMN CC(=O)NCc1ccc(-c2nc(NC(=O)c3cn[nH]c3C)sc2C)s1 ZINC000486000975 566546656 /nfs/dbraw/zinc/54/66/56/566546656.db2.gz FYUMXICMWLTEIX-UHFFFAOYSA-N 0 1 375.479 3.100 20 0 GGADMN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000559392164 566546918 /nfs/dbraw/zinc/54/69/18/566546918.db2.gz NUKLWTYAZHRWNK-CYBMUJFWSA-N 0 1 399.969 3.231 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000538922921 566547700 /nfs/dbraw/zinc/54/77/00/566547700.db2.gz MDCQCVRJIRLHJT-OLZOCXBDSA-N 0 1 378.314 3.332 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000485993845 566547650 /nfs/dbraw/zinc/54/76/50/566547650.db2.gz MDTYSNXESPJCFK-AWEZNQCLSA-N 0 1 379.379 3.260 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000538922923 566547990 /nfs/dbraw/zinc/54/79/90/566547990.db2.gz MDCQCVRJIRLHJT-STQMWFEESA-N 0 1 378.314 3.332 20 0 GGADMN CCC[C@@H](C)S(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000651646982 566548076 /nfs/dbraw/zinc/54/80/76/566548076.db2.gz YTUMPIYHPLZISH-MFKMUULPSA-N 0 1 376.404 3.021 20 0 GGADMN Cn1nccc1[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000424620620 566548455 /nfs/dbraw/zinc/54/84/55/566548455.db2.gz NHMNZJKOJMCOTI-LBPRGKRZSA-N 0 1 392.175 3.117 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000538922922 566548509 /nfs/dbraw/zinc/54/85/09/566548509.db2.gz MDCQCVRJIRLHJT-QWHCGFSZSA-N 0 1 378.314 3.332 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000559439630 566548708 /nfs/dbraw/zinc/54/87/08/566548708.db2.gz KSJGQSLFIIXYHB-UHFFFAOYSA-N 0 1 384.288 3.447 20 0 GGADMN Cc1nc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)sc1Br ZINC000538941610 566549428 /nfs/dbraw/zinc/54/94/28/566549428.db2.gz DZCRNUJMYXSSRY-UHFFFAOYSA-N 0 1 391.287 3.321 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[nH]1 ZINC000673643394 566549891 /nfs/dbraw/zinc/54/98/91/566549891.db2.gz QLMCDAZVUUECPT-UHFFFAOYSA-N 0 1 381.433 3.169 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)n1 ZINC000673643394 566549899 /nfs/dbraw/zinc/54/98/99/566549899.db2.gz QLMCDAZVUUECPT-UHFFFAOYSA-N 0 1 381.433 3.169 20 0 GGADMN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1ncn[nH]1 ZINC000512684946 566550397 /nfs/dbraw/zinc/55/03/97/566550397.db2.gz MKFYDBQXHAUICV-QMMMGPOBSA-N 0 1 392.282 3.490 20 0 GGADMN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1nc[nH]n1 ZINC000512684946 566550405 /nfs/dbraw/zinc/55/04/05/566550405.db2.gz MKFYDBQXHAUICV-QMMMGPOBSA-N 0 1 392.282 3.490 20 0 GGADMN C[C@@](N)(C(=O)N[C@H]1CCOc2c(F)cccc21)c1ccc(Br)cc1 ZINC000578746754 566550779 /nfs/dbraw/zinc/55/07/79/566550779.db2.gz SIGVKASSFSFIRO-YJBOKZPZSA-N 0 1 393.256 3.402 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1F ZINC000604059006 566551775 /nfs/dbraw/zinc/55/17/75/566551775.db2.gz ZSPKMKRCCAUFBG-HNNXBMFYSA-N 0 1 382.888 3.422 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CCC[C@H](F)C1 ZINC000424643722 566552337 /nfs/dbraw/zinc/55/23/37/566552337.db2.gz MLLKDDZOTDVRLN-YPMHNXCESA-N 0 1 381.249 3.379 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCC[C@H](F)C1 ZINC000424643722 566552340 /nfs/dbraw/zinc/55/23/40/566552340.db2.gz MLLKDDZOTDVRLN-YPMHNXCESA-N 0 1 381.249 3.379 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000604058785 566552451 /nfs/dbraw/zinc/55/24/51/566552451.db2.gz RCFYVRXOGBLTIO-MRXNPFEDSA-N 0 1 382.888 3.422 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1F ZINC000604059007 566552476 /nfs/dbraw/zinc/55/24/76/566552476.db2.gz ZSPKMKRCCAUFBG-OAHLLOKOSA-N 0 1 382.888 3.422 20 0 GGADMN CCN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCOC1 ZINC000604052074 566552729 /nfs/dbraw/zinc/55/27/29/566552729.db2.gz FXOADVFDCXYZQW-LLVKDONJSA-N 0 1 375.694 3.399 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000673748223 566553771 /nfs/dbraw/zinc/55/37/71/566553771.db2.gz ACCIMVRIZOVSHF-HNNXBMFYSA-N 0 1 399.720 3.108 20 0 GGADMN CCOc1cccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n1 ZINC000673748988 566553873 /nfs/dbraw/zinc/55/38/73/566553873.db2.gz ZQWAYMYSEXZTBY-UHFFFAOYSA-N 0 1 388.221 3.337 20 0 GGADMN O=c1ccc(Br)cn1CCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449378019 566553822 /nfs/dbraw/zinc/55/38/22/566553822.db2.gz QCODFDZCODTWQQ-LBPRGKRZSA-N 0 1 387.199 3.305 20 0 GGADMN CC(C)(CNCc1cn(-c2ccccc2Br)nn1)c1ccccn1 ZINC000449393519 566555770 /nfs/dbraw/zinc/55/57/70/566555770.db2.gz NHXCWDWBWCYXDA-UHFFFAOYSA-N 0 1 386.297 3.492 20 0 GGADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000539054494 566555680 /nfs/dbraw/zinc/55/56/80/566555680.db2.gz WMBPAAGBHUHYGD-BLLLJJGKSA-N 0 1 379.444 3.367 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2cc(F)c(F)c(F)c2)c(C)s1 ZINC000539050266 566556687 /nfs/dbraw/zinc/55/66/87/566556687.db2.gz ARGCMHURGMICIT-JTQLQIEISA-N 0 1 392.468 3.411 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000486091673 566557666 /nfs/dbraw/zinc/55/76/66/566557666.db2.gz HSOPFWBVOWQSAU-CYBMUJFWSA-N 0 1 386.309 3.255 20 0 GGADMN C[C@H]1CN(c2cccc(Cl)c2)CCN1C[C@H](O)COCc1cccs1 ZINC000578830318 566557735 /nfs/dbraw/zinc/55/77/35/566557735.db2.gz LZCNVVNTOMOMJL-YJBOKZPZSA-N 0 1 380.941 3.490 20 0 GGADMN CS(=O)(=O)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2O)cc1 ZINC000604266350 566557885 /nfs/dbraw/zinc/55/78/85/566557885.db2.gz CUZKKEGYMYUVKH-UHFFFAOYSA-N 0 1 383.853 3.247 20 0 GGADMN Cc1nn(C)c(CNCCOc2ccc(F)c(Cl)c2)c1Br ZINC000449400003 566558520 /nfs/dbraw/zinc/55/85/20/566558520.db2.gz GMLLRRKAXSXYBJ-UHFFFAOYSA-N 0 1 376.657 3.452 20 0 GGADMN Cc1noc2ncc(S(=O)(=O)Nc3cc(C)cc(Br)c3)cc12 ZINC000486105509 566559562 /nfs/dbraw/zinc/55/95/62/566559562.db2.gz YUAOBGMWOSWKDQ-UHFFFAOYSA-N 0 1 382.239 3.403 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1CN(C)C1(CO)CC1 ZINC000512800897 566559637 /nfs/dbraw/zinc/55/96/37/566559637.db2.gz IHCUVBWXLZTNSE-UHFFFAOYSA-N 0 1 382.254 3.329 20 0 GGADMN COC(=O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000604306365 566560515 /nfs/dbraw/zinc/56/05/15/566560515.db2.gz QVHYQMUXOFSJMT-AWEZNQCLSA-N 0 1 387.307 3.369 20 0 GGADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cc(F)ccc2Br)C1 ZINC000449412628 566561153 /nfs/dbraw/zinc/56/11/53/566561153.db2.gz NZRZKEHXQWIZHF-GXTWGEPZSA-N 0 1 377.257 3.369 20 0 GGADMN CCN(C)C(=O)[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)C(C)C ZINC000449440889 566561759 /nfs/dbraw/zinc/56/17/59/566561759.db2.gz NOVSHFVWPWMKFS-KRWDZBQOSA-N 0 1 393.329 3.227 20 0 GGADMN CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1F ZINC000578875900 566562346 /nfs/dbraw/zinc/56/23/46/566562346.db2.gz AHJGHTZOPCELAX-UHFFFAOYSA-N 0 1 397.371 3.107 20 0 GGADMN O[C@@H]1CCC[C@@H]1N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000604384559 566562779 /nfs/dbraw/zinc/56/27/79/566562779.db2.gz WSNKPXMNXIQNKU-ZWKOTPCHSA-N 0 1 377.941 3.495 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000466289798 566562870 /nfs/dbraw/zinc/56/28/70/566562870.db2.gz RMEDGDZPEPQXHH-UHFFFAOYSA-N 0 1 383.466 3.319 20 0 GGADMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3O)cc2F)c1 ZINC000466287645 566563057 /nfs/dbraw/zinc/56/30/57/566563057.db2.gz ODPAYLOVGKWFNQ-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2cccc(I)c2)CCN1C ZINC000486155566 566563177 /nfs/dbraw/zinc/56/31/77/566563177.db2.gz IRKJHIKRGGNTKB-CQSZACIVSA-N 0 1 387.265 3.095 20 0 GGADMN O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1c(Cl)ccc(F)c1F ZINC000559639013 566563693 /nfs/dbraw/zinc/56/36/93/566563693.db2.gz MXFLFYIVTCUDCN-GFCCVEGCSA-N 0 1 386.851 3.423 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c[nH]1 ZINC000673884116 566563951 /nfs/dbraw/zinc/56/39/51/566563951.db2.gz IUCAXGIINAUILK-UHFFFAOYSA-N 0 1 382.873 3.114 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Cl)ccc(F)c1F ZINC000559640111 566564062 /nfs/dbraw/zinc/56/40/62/566564062.db2.gz JNIUECIRGCHFDF-CYBMUJFWSA-N 0 1 386.851 3.171 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)ccc(F)c1F ZINC000559640111 566564068 /nfs/dbraw/zinc/56/40/68/566564068.db2.gz JNIUECIRGCHFDF-CYBMUJFWSA-N 0 1 386.851 3.171 20 0 GGADMN CCc1ccc(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512857280 566564597 /nfs/dbraw/zinc/56/45/97/566564597.db2.gz QPHCYSLRKPEYNN-UHFFFAOYSA-N 0 1 388.320 3.019 20 0 GGADMN O=S(=O)(NCCNCc1cc(F)cc(F)c1)c1cccc(Cl)c1Cl ZINC000512868317 566565006 /nfs/dbraw/zinc/56/50/06/566565006.db2.gz AQACBKSFQWRAPP-UHFFFAOYSA-N 0 1 395.258 3.340 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000449470191 566565556 /nfs/dbraw/zinc/56/55/56/566565556.db2.gz AJHNQJJQXBCQLY-IBGZPJMESA-N 0 1 376.547 3.057 20 0 GGADMN COc1ccc(Br)c(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000512884597 566566321 /nfs/dbraw/zinc/56/63/21/566566321.db2.gz GAMLBVOHEYZHMR-HNNXBMFYSA-N 0 1 396.329 3.228 20 0 GGADMN Cc1nc(C)c(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512873706 566566475 /nfs/dbraw/zinc/56/64/75/566566475.db2.gz DPBKRHYQPPSMAA-UHFFFAOYSA-N 0 1 394.349 3.135 20 0 GGADMN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(F)cc2Br)C1 ZINC000512880818 566566585 /nfs/dbraw/zinc/56/65/85/566566585.db2.gz XMXNSZOJANMAHW-OAHLLOKOSA-N 0 1 384.293 3.358 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@H]1CCSC1)c1cc(F)c(Br)cc1F ZINC000628573202 566566726 /nfs/dbraw/zinc/56/67/26/566566726.db2.gz LZDAYWGUHFDPFK-ZJUUUORDSA-N 0 1 393.297 3.342 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@H]1CCSC1)c1cc(F)c(Br)cc1F ZINC000628573200 566567169 /nfs/dbraw/zinc/56/71/69/566567169.db2.gz LZDAYWGUHFDPFK-UWVGGRQHSA-N 0 1 393.297 3.342 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000466340383 566567284 /nfs/dbraw/zinc/56/72/84/566567284.db2.gz SXZYICXELMWCOI-UHFFFAOYSA-N 0 1 375.324 3.015 20 0 GGADMN CCOC(=O)CCN(CC(=O)Nc1ccc(Br)cc1)CC1CC1 ZINC000604510318 566568564 /nfs/dbraw/zinc/56/85/64/566568564.db2.gz QUFPPEATHGAEAN-UHFFFAOYSA-N 0 1 383.286 3.053 20 0 GGADMN O=C1C[C@H](NCc2cncc(Br)c2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000466364969 566568753 /nfs/dbraw/zinc/56/87/53/566568753.db2.gz SMOGKVYIGYZRCC-BZSNNMDCSA-N 0 1 386.293 3.091 20 0 GGADMN CC[NH+]1CCC(N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486210014 566569103 /nfs/dbraw/zinc/56/91/03/566569103.db2.gz NBEKBMBFOIIFPK-UHFFFAOYSA-N 0 1 392.297 3.259 20 0 GGADMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000604511634 566569435 /nfs/dbraw/zinc/56/94/35/566569435.db2.gz UNQXMSFWSPTWHG-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CN1CCCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000512923962 566569447 /nfs/dbraw/zinc/56/94/47/566569447.db2.gz BWEDYSNURWJLHX-UHFFFAOYSA-N 0 1 381.192 3.125 20 0 GGADMN CCOC(=O)c1cnc2c(C)cc(Br)cc2c1N1CCN(C)CC1 ZINC000604519139 566569576 /nfs/dbraw/zinc/56/95/76/566569576.db2.gz OAYKQFGQNOFWBF-UHFFFAOYSA-N 0 1 392.297 3.234 20 0 GGADMN CC(C)Oc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)ccc1Br ZINC000651861785 566569939 /nfs/dbraw/zinc/56/99/39/566569939.db2.gz XCLFBJVLVVYMNV-UHFFFAOYSA-N 0 1 379.258 3.164 20 0 GGADMN O=C1[C@H](NCc2cncc(Br)c2)CCN1CCCc1ccccc1 ZINC000466371611 566570664 /nfs/dbraw/zinc/57/06/64/566570664.db2.gz AZHFFRNBOYSPKM-GOSISDBHSA-N 0 1 388.309 3.167 20 0 GGADMN CCC[C@@H](NCC(=O)N1CCN(C(C)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000539254354 566570707 /nfs/dbraw/zinc/57/07/07/566570707.db2.gz OZSBWECASOZQBZ-QGZVFWFLSA-N 0 1 386.323 3.115 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1ccccc1)c1ccc(Br)cc1 ZINC000539243484 566570807 /nfs/dbraw/zinc/57/08/07/566570807.db2.gz LREWVRKWJOQMOP-CQSZACIVSA-N 0 1 377.282 3.295 20 0 GGADMN CCCNC(=O)CN(C)C(=O)CN[C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000539256951 566570904 /nfs/dbraw/zinc/57/09/04/566570904.db2.gz LXQMMKQVPWBKPM-INIZCTEOSA-N 0 1 388.339 3.409 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CCc2cccs2)CC1 ZINC000604540984 566571214 /nfs/dbraw/zinc/57/12/14/566571214.db2.gz VEMYGXGBEBVYDZ-SFHVURJKSA-N 0 1 378.925 3.476 20 0 GGADMN C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1ccccc1Br ZINC000674002187 566571728 /nfs/dbraw/zinc/57/17/28/566571728.db2.gz HRUSCYIMHJHHIZ-LLVKDONJSA-N 0 1 378.270 3.248 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(Br)c1O)c1c(F)cccc1F ZINC000604604729 566572301 /nfs/dbraw/zinc/57/23/01/566572301.db2.gz RTEPCBQPKSXMEN-AWEZNQCLSA-N 0 1 399.235 3.466 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000486264022 566573032 /nfs/dbraw/zinc/57/30/32/566573032.db2.gz XOVUEIAPVJMEJO-AWEZNQCLSA-N 0 1 382.913 3.147 20 0 GGADMN COc1c(Cl)cc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000604620488 566573013 /nfs/dbraw/zinc/57/30/13/566573013.db2.gz BEACHGVKHXCZAZ-HUUCEWRRSA-N 0 1 388.295 3.065 20 0 GGADMN FC(F)Oc1ccc(Cl)cc1CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000512983920 566573127 /nfs/dbraw/zinc/57/31/27/566573127.db2.gz YTRJZWYQAXSRIF-ZDUSSCGKSA-N 0 1 388.764 3.294 20 0 GGADMN CC(C)N1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000604659878 566573634 /nfs/dbraw/zinc/57/36/34/566573634.db2.gz CKKIYJLVKYITBH-UHFFFAOYSA-N 0 1 380.330 3.216 20 0 GGADMN CCN(CCCN(C)C)C(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000579021859 566574063 /nfs/dbraw/zinc/57/40/63/566574063.db2.gz IUZRGVLLJKMZNC-UHFFFAOYSA-N 0 1 389.949 3.328 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC(C)(C)S(C)(=O)=O ZINC000674044653 566573955 /nfs/dbraw/zinc/57/39/55/566573955.db2.gz GKPYVRJLUUVIEZ-UHFFFAOYSA-N 0 1 383.945 3.114 20 0 GGADMN FC(F)(F)[C@H](CNCc1cnc(-c2ccsc2)s1)N1CCOCC1 ZINC000513017468 566574020 /nfs/dbraw/zinc/57/40/20/566574020.db2.gz QEWKINBAOJMNLD-ZDUSSCGKSA-N 0 1 377.457 3.224 20 0 GGADMN Cc1n[nH]cc1CN[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000513033138 566574193 /nfs/dbraw/zinc/57/41/93/566574193.db2.gz RYUNKGGSMZQLPG-MRXNPFEDSA-N 0 1 391.313 3.383 20 0 GGADMN O=C(NCC1(c2cccc(Br)c2)CC1)N1CCN(CC2CC2)CC1 ZINC000604660118 566574364 /nfs/dbraw/zinc/57/43/64/566574364.db2.gz UDMPBJBYEHWONJ-UHFFFAOYSA-N 0 1 392.341 3.218 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2ccc(C)cc2Br)cc1 ZINC000513020144 566574426 /nfs/dbraw/zinc/57/44/26/566574426.db2.gz MFQAWCPDAGSZDY-UHFFFAOYSA-N 0 1 397.338 3.134 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cc(F)c(F)c(F)c1 ZINC000513021753 566574655 /nfs/dbraw/zinc/57/46/55/566574655.db2.gz JELUIRMGUSPRFM-UHFFFAOYSA-N 0 1 392.830 3.134 20 0 GGADMN COc1cc([C@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000559903553 566574900 /nfs/dbraw/zinc/57/49/00/566574900.db2.gz XLCYSDQJQINZGI-BLLLJJGKSA-N 0 1 390.281 3.309 20 0 GGADMN COc1cc([C@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 ZINC000559903554 566575084 /nfs/dbraw/zinc/57/50/84/566575084.db2.gz XLCYSDQJQINZGI-LRDDRELGSA-N 0 1 390.281 3.309 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]2C1 ZINC000449559483 566575218 /nfs/dbraw/zinc/57/52/18/566575218.db2.gz YKVYLGNLRNDMOT-RRFJBIMHSA-N 0 1 382.298 3.203 20 0 GGADMN O=S(=O)(C1CC1)N1CCC[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000513045588 566575510 /nfs/dbraw/zinc/57/55/10/566575510.db2.gz GAUQOPAAYCVCKM-CYBMUJFWSA-N 0 1 396.862 3.405 20 0 GGADMN CCOc1cccc(CNCCn2cc(Br)cn2)c1OC(F)F ZINC000513037846 566576193 /nfs/dbraw/zinc/57/61/93/566576193.db2.gz UWPZFALYEBWMNU-UHFFFAOYSA-N 0 1 390.228 3.436 20 0 GGADMN C[C@H](Cc1cnn(C)c1)NCc1ncc(Br)cc1Br ZINC000449586106 566577573 /nfs/dbraw/zinc/57/75/73/566577573.db2.gz MIVQRANSOVSJAY-SECBINFHSA-N 0 1 388.107 3.061 20 0 GGADMN Cc1ncc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)s1 ZINC000513071885 566578148 /nfs/dbraw/zinc/57/81/48/566578148.db2.gz WQLLIBPZEUSCSC-AWEZNQCLSA-N 0 1 379.551 3.162 20 0 GGADMN CN(CCN1CCCCC1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000651926202 566578203 /nfs/dbraw/zinc/57/82/03/566578203.db2.gz JKNSOXABSDVWBZ-UHFFFAOYSA-N 0 1 384.851 3.465 20 0 GGADMN CN1C(=O)C[C@H](NCc2cncc(Br)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000466475400 566578607 /nfs/dbraw/zinc/57/86/07/566578607.db2.gz SRJXVRVSWNFCJP-RDJZCZTQSA-N 0 1 396.235 3.184 20 0 GGADMN Cc1ccc(C[C@@H](CO)CNCc2ccn(C(F)F)n2)cc1Br ZINC000449597361 566578945 /nfs/dbraw/zinc/57/89/45/566578945.db2.gz DYFHENDGKGBLNS-CYBMUJFWSA-N 0 1 388.256 3.290 20 0 GGADMN C[C@@H](CO)C1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000651956719 566579338 /nfs/dbraw/zinc/57/93/38/566579338.db2.gz DIBYRVYXYHQTGU-HNNXBMFYSA-N 0 1 397.357 3.126 20 0 GGADMN Cc1sc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1Br ZINC000424855515 566580555 /nfs/dbraw/zinc/58/05/55/566580555.db2.gz ORSMKKLWLTVTNA-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN Cc1ccc(C[C@H](CO)CNCc2cn(C(C)(C)C)nn2)cc1Br ZINC000449599183 566580761 /nfs/dbraw/zinc/58/07/61/566580761.db2.gz KGAPDBNNCISYMC-HNNXBMFYSA-N 0 1 395.345 3.045 20 0 GGADMN O[C@@H]1CCN(C2CN(Cc3ccc(-c4ccccc4Br)cc3)C2)C1 ZINC000651977707 566580855 /nfs/dbraw/zinc/58/08/55/566580855.db2.gz XWQQEXBGUYYDEG-GOSISDBHSA-N 0 1 387.321 3.367 20 0 GGADMN C[C@@H]1OCC[C@H]1c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000559987947 566581343 /nfs/dbraw/zinc/58/13/43/566581343.db2.gz RIZJVEHDMXAGSU-GZMMTYOYSA-N 0 1 376.214 3.177 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(F)cc(Cl)c1)c1ccc(F)c(C)c1 ZINC000466523495 566581485 /nfs/dbraw/zinc/58/14/85/566581485.db2.gz XUYVJLQQZAUZKO-HNNXBMFYSA-N 0 1 389.807 3.119 20 0 GGADMN C[C@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1nnc2ccccn21 ZINC000674275126 566583313 /nfs/dbraw/zinc/58/33/13/566583313.db2.gz DZYRUDAWBAYXOY-NWDGAFQWSA-N 0 1 381.263 3.127 20 0 GGADMN Cn1cc(I)c(CN[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000449604858 566583291 /nfs/dbraw/zinc/58/32/91/566583291.db2.gz LQXKCWCZENREQL-ZFWWWQNUSA-N 0 1 381.261 3.451 20 0 GGADMN C[C@@H](NCc1nn(C)cc1I)C1CCC(F)(F)CC1 ZINC000449605763 566583604 /nfs/dbraw/zinc/58/36/04/566583604.db2.gz OEZDMBYZTZBONF-SECBINFHSA-N 0 1 383.224 3.328 20 0 GGADMN COc1c(NS(=O)(=O)c2ccc(C)cc2)cc(Cl)cc1C(=O)N(C)C ZINC000559994115 566583779 /nfs/dbraw/zinc/58/37/79/566583779.db2.gz GFKUVEPCUSZGGE-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN COC1CCN(CCNC(=O)c2ccc(Br)cc2OC(C)C)CC1 ZINC000674311750 566585032 /nfs/dbraw/zinc/58/50/32/566585032.db2.gz PWOBVWYKJGGTTO-UHFFFAOYSA-N 0 1 399.329 3.077 20 0 GGADMN Cn1cc(I)c(CN[C@@H]2CCC[C@H](c3cccnc3)C2)n1 ZINC000449606797 566585273 /nfs/dbraw/zinc/58/52/73/566585273.db2.gz SDXUFMQTMPZYCA-GXTWGEPZSA-N 0 1 396.276 3.236 20 0 GGADMN COc1ccc([C@H](C)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000539507711 566585349 /nfs/dbraw/zinc/58/53/49/566585349.db2.gz YAMHPGCGWDDGMT-SCRDCRAPSA-N 0 1 390.343 3.464 20 0 GGADMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000560007462 566585438 /nfs/dbraw/zinc/58/54/38/566585438.db2.gz LYWULRWIGCBYNC-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN Cc1ncc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c(C2CC2)n1 ZINC000539508677 566585581 /nfs/dbraw/zinc/58/55/81/566585581.db2.gz YETAVNSGDGYVGH-UHFFFAOYSA-N 0 1 399.252 3.462 20 0 GGADMN Cc1cc(F)ccc1CNCC(=O)Nc1ccc(I)cc1 ZINC000579148849 566585659 /nfs/dbraw/zinc/58/56/59/566585659.db2.gz AAXIKZCQXFWWJF-UHFFFAOYSA-N 0 1 398.219 3.467 20 0 GGADMN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000539507710 566585766 /nfs/dbraw/zinc/58/57/66/566585766.db2.gz YAMHPGCGWDDGMT-OUCADQQQSA-N 0 1 390.343 3.464 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(I)cc1 ZINC000513177774 566586740 /nfs/dbraw/zinc/58/67/40/566586740.db2.gz JCZWMTZZQFWCSD-HNNXBMFYSA-N 0 1 386.277 3.172 20 0 GGADMN C[C@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)S(C)(=O)=O ZINC000539529385 566586749 /nfs/dbraw/zinc/58/67/49/566586749.db2.gz PYCRXQKOMAVZNF-CYBMUJFWSA-N 0 1 380.897 3.115 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(I)cc1 ZINC000513177775 566586883 /nfs/dbraw/zinc/58/68/83/566586883.db2.gz JCZWMTZZQFWCSD-OAHLLOKOSA-N 0 1 386.277 3.172 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(Br)c2c(c1)OCCCO2 ZINC000579175405 566587018 /nfs/dbraw/zinc/58/70/18/566587018.db2.gz RQFVOXBGVJSOAC-LGEZUQEUSA-N 0 1 394.309 3.466 20 0 GGADMN O=C(c1cccc2n[nH]cc21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000486424463 566587428 /nfs/dbraw/zinc/58/74/28/566587428.db2.gz XGICFDPXUHYGRG-UHFFFAOYSA-N 0 1 376.247 3.227 20 0 GGADMN CC(C)(C)O[C@@H]1C[C@@H](NCc2cncc(Br)c2)[C@@H]1n1cccn1 ZINC000449652157 566587490 /nfs/dbraw/zinc/58/74/90/566587490.db2.gz ASNUSXDAPNZVJH-OAGGEKHMSA-N 0 1 379.302 3.328 20 0 GGADMN C=Cc1ccc(C(=O)N=c2ncn(Cc3ccc(Br)cc3)[nH]2)cc1 ZINC000560020111 566587539 /nfs/dbraw/zinc/58/75/39/566587539.db2.gz ZIKKZBDNNRAFBB-UHFFFAOYSA-N 0 1 383.249 3.406 20 0 GGADMN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000539564668 566588295 /nfs/dbraw/zinc/58/82/95/566588295.db2.gz YCDQNZQAISDJAH-MWLCHTKSSA-N 0 1 377.242 3.178 20 0 GGADMN CCOCCN1CCN(C(=O)Nc2nccc(Br)c2C)C[C@H]1CC ZINC000579210701 566590021 /nfs/dbraw/zinc/59/00/21/566590021.db2.gz NDGLCAHRBGFSBZ-CQSZACIVSA-N 0 1 399.333 3.117 20 0 GGADMN CSc1nc(=NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)[nH][nH]1 ZINC000539592304 566590227 /nfs/dbraw/zinc/59/02/27/566590227.db2.gz QGECOPBHADBVQH-UHFFFAOYSA-N 0 1 383.264 3.002 20 0 GGADMN OC[C@@H](CNCc1c(F)ccc(O)c1F)Cc1ccc(Br)cc1 ZINC000513242145 566590331 /nfs/dbraw/zinc/59/03/31/566590331.db2.gz PABNAJJMGFHAPT-GFCCVEGCSA-N 0 1 386.236 3.374 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1Br ZINC000513221481 566590853 /nfs/dbraw/zinc/59/08/53/566590853.db2.gz BXXZIXVDGTWMCI-CQSZACIVSA-N 0 1 399.329 3.347 20 0 GGADMN OC[C@@H](CNCc1c(F)ccc(O)c1F)Cc1ccccc1Br ZINC000513242152 566590945 /nfs/dbraw/zinc/59/09/45/566590945.db2.gz PAZLYZNVFBDKKX-LLVKDONJSA-N 0 1 386.236 3.374 20 0 GGADMN CC(C)(C)NS(=O)(=O)CCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000560049493 566591398 /nfs/dbraw/zinc/59/13/98/566591398.db2.gz WGEMXMSSJUTYFA-UHFFFAOYSA-N 0 1 387.958 3.271 20 0 GGADMN Cc1c(Br)cccc1C[C@H](CO)CNCc1ccn(C(F)F)n1 ZINC000449680475 566591637 /nfs/dbraw/zinc/59/16/37/566591637.db2.gz HBEAQMWSYNWLIB-LBPRGKRZSA-N 0 1 388.256 3.290 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)CCCc2ccccc2Br)CC1 ZINC000424989257 566592796 /nfs/dbraw/zinc/59/27/96/566592796.db2.gz IBHJTYJVUBQHHG-UHFFFAOYSA-N 0 1 397.357 3.341 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1Br ZINC000579250899 566593100 /nfs/dbraw/zinc/59/31/00/566593100.db2.gz TZYVHDQJXWLRIW-MRXNPFEDSA-N 0 1 376.250 3.339 20 0 GGADMN COc1ccccc1[C@@H]1C[C@H]1N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000579259300 566593852 /nfs/dbraw/zinc/59/38/52/566593852.db2.gz QOPVBIVIHCOUOT-ZMSDIMECSA-N 0 1 375.266 3.130 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)c1ccc(F)c(C)c1 ZINC000560066442 566593842 /nfs/dbraw/zinc/59/38/42/566593842.db2.gz ZZCWXLAXFIOJNH-OAHLLOKOSA-N 0 1 389.807 3.119 20 0 GGADMN CC(C)[C@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCN1C ZINC000486482962 566593958 /nfs/dbraw/zinc/59/39/58/566593958.db2.gz BUOXIESFKHCHBX-QGZVFWFLSA-N 0 1 393.329 3.412 20 0 GGADMN O=C(N[C@H]1CCN(c2ccccc2Br)C1)c1cccc2nc[nH]c21 ZINC000539631526 566594093 /nfs/dbraw/zinc/59/40/93/566594093.db2.gz GATISQPBSQRCIZ-LBPRGKRZSA-N 0 1 385.265 3.334 20 0 GGADMN O[C@H](COCc1cccs1)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463091 566594375 /nfs/dbraw/zinc/59/43/75/566594375.db2.gz MGGFEQZVODTRSZ-ZMLRMANQSA-N 0 1 377.350 3.298 20 0 GGADMN O[C@@H](COCc1cccs1)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463086 566594542 /nfs/dbraw/zinc/59/45/42/566594542.db2.gz MGGFEQZVODTRSZ-JLLWLGSASA-N 0 1 377.350 3.298 20 0 GGADMN CC(C)(NCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1 ZINC000560073514 566594644 /nfs/dbraw/zinc/59/46/44/566594644.db2.gz WMGXDEZRRSSYOH-GOSISDBHSA-N 0 1 381.929 3.095 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000424992902 566594719 /nfs/dbraw/zinc/59/47/19/566594719.db2.gz UDDLTPAUDBGZCI-AWEZNQCLSA-N 0 1 383.330 3.122 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H](CO)c1cccc(Cl)c1F)c1ccsc1 ZINC000539669911 566594664 /nfs/dbraw/zinc/59/46/64/566594664.db2.gz AATCVXHCEVEEMT-HUUCEWRRSA-N 0 1 385.892 3.176 20 0 GGADMN CCO[C@@H]1COC[C@H]1NCc1ccc(Br)c(Br)c1 ZINC000449720209 566596017 /nfs/dbraw/zinc/59/60/17/566596017.db2.gz RTPQUFBILOLRHV-CHWSQXEVSA-N 0 1 379.092 3.105 20 0 GGADMN CCO[C@@H]1COC[C@H]1NCc1cc(Br)cc(Br)c1 ZINC000449718000 566596044 /nfs/dbraw/zinc/59/60/44/566596044.db2.gz FTYMBDXUKFWBMH-CHWSQXEVSA-N 0 1 379.092 3.105 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N(CCN(C)C)Cc1cccs1 ZINC000674489822 566596373 /nfs/dbraw/zinc/59/63/73/566596373.db2.gz MFRUOPWTFWPRJZ-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN COc1cccnc1CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000449749468 566597171 /nfs/dbraw/zinc/59/71/71/566597171.db2.gz PQBPRBJKHBHLOW-LBPRGKRZSA-N 0 1 378.270 3.360 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1Cc1ccc(C)o1 ZINC000486545389 566597391 /nfs/dbraw/zinc/59/73/91/566597391.db2.gz AHJRBXRLSSEXED-UHFFFAOYSA-N 0 1 381.841 3.296 20 0 GGADMN COC(=O)[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1c1ccccc1 ZINC000449752289 566598572 /nfs/dbraw/zinc/59/85/72/566598572.db2.gz BXNDTUPAJOBFTO-DLBZAZTESA-N 0 1 375.266 3.233 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000605180295 566598703 /nfs/dbraw/zinc/59/87/03/566598703.db2.gz ALYCZOUEAATAHF-GFCCVEGCSA-N 0 1 393.285 3.347 20 0 GGADMN COC(=O)[C@@H]1CN(Cc2cncc(Br)c2)C[C@@H]1c1ccccc1 ZINC000449752292 566599543 /nfs/dbraw/zinc/59/95/43/566599543.db2.gz BXNDTUPAJOBFTO-IAGOWNOFSA-N 0 1 375.266 3.233 20 0 GGADMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)[C@H]2C1 ZINC000486576800 566600687 /nfs/dbraw/zinc/60/06/87/566600687.db2.gz OGILLEHDFSQOAK-GWCFXTLKSA-N 0 1 382.835 3.074 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H](CC)C(=O)NC)cc1OCC ZINC000449776810 566601059 /nfs/dbraw/zinc/60/10/59/566601059.db2.gz PNAOWJBEKBVOGH-AWEZNQCLSA-N 0 1 387.318 3.251 20 0 GGADMN Cc1ccc([C@H](CNS(=O)(=O)CCCC(F)(F)F)N2CCCC2)cc1 ZINC000539778754 566601471 /nfs/dbraw/zinc/60/14/71/566601471.db2.gz KXNQIGOQRFXBPZ-INIZCTEOSA-N 0 1 378.460 3.394 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)CCCC(F)(F)F ZINC000539777892 566601631 /nfs/dbraw/zinc/60/16/31/566601631.db2.gz GVZWVHZDQVVGBO-OAHLLOKOSA-N 0 1 378.460 3.255 20 0 GGADMN CC/C=C\CCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000466826882 566602069 /nfs/dbraw/zinc/60/20/69/566602069.db2.gz BCVLDWQDRLHCQG-ARJAWSKDSA-N 0 1 380.330 3.362 20 0 GGADMN O=C(CCCCc1ccc(Br)cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425065499 566602272 /nfs/dbraw/zinc/60/22/72/566602272.db2.gz LFLYWLRSSGNECO-AWEZNQCLSA-N 0 1 377.286 3.296 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000539802893 566602614 /nfs/dbraw/zinc/60/26/14/566602614.db2.gz MOSCHZFYUFHSPT-UHFFFAOYSA-N 0 1 381.353 3.234 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc2cncn2c1 ZINC000560140569 566602704 /nfs/dbraw/zinc/60/27/04/566602704.db2.gz HIGFXAMQXGDKAZ-CQSZACIVSA-N 0 1 376.185 3.099 20 0 GGADMN COc1c(Br)cc(Br)cc1CN1CCN(C)C[C@H]1C ZINC000539829509 566604265 /nfs/dbraw/zinc/60/42/65/566604265.db2.gz ZRRAITXQFJKBQA-SNVBAGLBSA-N 0 1 392.135 3.356 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000579396195 566604291 /nfs/dbraw/zinc/60/42/91/566604291.db2.gz XJAVEEOAQWWPMJ-NSHDSACASA-N 0 1 392.302 3.158 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1cc(Br)ccc1OC(F)(F)F ZINC000425101307 566604825 /nfs/dbraw/zinc/60/48/25/566604825.db2.gz ZOIOTJUZYDUGFN-UHFFFAOYSA-N 0 1 379.136 3.037 20 0 GGADMN CS(=O)(=O)N1CCC[C@H](CSc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000674715257 566604868 /nfs/dbraw/zinc/60/48/68/566604868.db2.gz SPWNZEQDYFYEGU-JTQLQIEISA-N 0 1 393.456 3.345 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2cccc(C)c2)c(OC)c1 ZINC000466889969 566605875 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ZINC000467644411 566657829 /nfs/dbraw/zinc/65/78/29/566657829.db2.gz ACBQXVNIUOUMAB-ZDUSSCGKSA-N 0 1 376.873 3.177 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000653226908 566658108 /nfs/dbraw/zinc/65/81/08/566658108.db2.gz HAMDPLYPFWNVGL-MJSCVDMRSA-N 0 1 383.319 3.155 20 0 GGADMN Cc1ccc(Br)cc1CN1CCC(c2ccnn2CCO)CC1 ZINC000450332682 566658742 /nfs/dbraw/zinc/65/87/42/566658742.db2.gz VNCKYAJZSSBYRD-UHFFFAOYSA-N 0 1 378.314 3.326 20 0 GGADMN COCCCNC(=O)[C@@H](C)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540589923 566659272 /nfs/dbraw/zinc/65/92/72/566659272.db2.gz CAEPBSIMAULCPN-CQSZACIVSA-N 0 1 388.339 3.047 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc(Br)c1F ZINC000580028762 566659821 /nfs/dbraw/zinc/65/98/21/566659821.db2.gz JDTKZZYXVKXCQD-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cccc(Br)c1F ZINC000580028762 566659829 /nfs/dbraw/zinc/65/98/29/566659829.db2.gz JDTKZZYXVKXCQD-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000425613137 566659840 /nfs/dbraw/zinc/65/98/40/566659840.db2.gz VQDCHGCOUKKSHW-UHFFFAOYSA-N 0 1 384.318 3.332 20 0 GGADMN C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1nc(C(F)(F)F)cs1 ZINC000467737055 566661048 /nfs/dbraw/zinc/66/10/48/566661048.db2.gz ZXOLVCKHGBCDEV-BXUZGUMPSA-N 0 1 381.489 3.020 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3O)cc2)CC1 ZINC000540649287 566661839 /nfs/dbraw/zinc/66/18/39/566661839.db2.gz VPHYEXDOOLXHAQ-UHFFFAOYSA-N 0 1 381.837 3.051 20 0 GGADMN CS(=O)(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccsc2)ccc1Cl ZINC000487298980 566661895 /nfs/dbraw/zinc/66/18/95/566661895.db2.gz KZZXSWGEPMJRID-UHFFFAOYSA-N 0 1 381.866 3.447 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000425646327 566662165 /nfs/dbraw/zinc/66/21/65/566662165.db2.gz BLVRXTBFRCSBFG-UHFFFAOYSA-N 0 1 388.281 3.163 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1C(=O)[O-] ZINC000629495271 566662260 /nfs/dbraw/zinc/66/22/60/566662260.db2.gz IKJHVFKNBACSKA-WBMJQRKESA-N 0 1 390.281 3.449 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629488460 566662528 /nfs/dbraw/zinc/66/25/28/566662528.db2.gz NDMXOMGRTWKWFL-BLLLJJGKSA-N 0 1 395.297 3.279 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000425653793 566662813 /nfs/dbraw/zinc/66/28/13/566662813.db2.gz OZMMTBVJWMFNCP-UHFFFAOYSA-N 0 1 388.281 3.163 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000629498836 566662853 /nfs/dbraw/zinc/66/28/53/566662853.db2.gz OYEHAWXINKKHBU-KOLCDFICSA-N 0 1 378.778 3.340 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000580064922 566663072 /nfs/dbraw/zinc/66/30/72/566663072.db2.gz XSIFUUWYEFXPPN-UHFFFAOYSA-N 0 1 386.926 3.314 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000629498843 566662984 /nfs/dbraw/zinc/66/29/84/566662984.db2.gz OYEHAWXINKKHBU-ONGXEEELSA-N 0 1 378.778 3.340 20 0 GGADMN Cc1nc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)sc1C ZINC000580063894 566663213 /nfs/dbraw/zinc/66/32/13/566663213.db2.gz AFTYZWUFQVPNNZ-CYBMUJFWSA-N 0 1 389.290 3.191 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2Cl)c(C)c1 ZINC000487312347 566663758 /nfs/dbraw/zinc/66/37/58/566663758.db2.gz HOOOGHVHVZAKQG-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN C[C@]1(CNCc2cn(-c3ccccc3Br)nn2)CCCC[C@@H]1O ZINC000514694342 566663865 /nfs/dbraw/zinc/66/38/65/566663865.db2.gz CBCKVPKJGYPSJY-DLBZAZTESA-N 0 1 379.302 3.061 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000675778307 566664448 /nfs/dbraw/zinc/66/44/48/566664448.db2.gz DBAGZRUVPDUBKT-GFCCVEGCSA-N 0 1 381.885 3.001 20 0 GGADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000675757486 566664702 /nfs/dbraw/zinc/66/47/02/566664702.db2.gz KICOZXIKBXNNHC-CYBMUJFWSA-N 0 1 385.580 3.333 20 0 GGADMN Cc1cc([C@@H](Cc2ccccc2Cl)NC[C@@H]2CS(=O)(=O)CCO2)cs1 ZINC000514712134 566664802 /nfs/dbraw/zinc/66/48/02/566664802.db2.gz QUBNCUXTLBPPRC-SJLPKXTDSA-N 0 1 399.965 3.397 20 0 GGADMN CCN1C[C@H](C)N(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)[C@@H](C)C1 ZINC000580094029 566665086 /nfs/dbraw/zinc/66/50/86/566665086.db2.gz OVXJUJGNCLDLEL-MQIPJXDCSA-N 0 1 381.929 3.084 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000540681118 566665709 /nfs/dbraw/zinc/66/57/09/566665709.db2.gz DLNLCYAJWPHURX-AWEZNQCLSA-N 0 1 376.250 3.238 20 0 GGADMN CS(=O)(=O)NCC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000580128486 566666852 /nfs/dbraw/zinc/66/68/52/566666852.db2.gz JOMOOPHJTXIVOD-UHFFFAOYSA-N 0 1 382.913 3.361 20 0 GGADMN O=S1(=O)C[C@H](N[C@@H]2CCc3cccc(Br)c3C2)c2ccccc21 ZINC000514743592 566667085 /nfs/dbraw/zinc/66/70/85/566667085.db2.gz JBHJDVOEGDYMEX-DYVFJYSZSA-N 0 1 392.318 3.425 20 0 GGADMN O=S1(=O)C[C@@H](N[C@H]2CCc3cccc(Br)c3C2)c2ccccc21 ZINC000514743594 566667107 /nfs/dbraw/zinc/66/71/07/566667107.db2.gz JBHJDVOEGDYMEX-SUMWQHHRSA-N 0 1 392.318 3.425 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000487388195 566668170 /nfs/dbraw/zinc/66/81/70/566668170.db2.gz LIFSNUNQMJFGCL-UHFFFAOYSA-N 0 1 377.752 3.471 20 0 GGADMN CCCCn1c(=O)[nH]nc1S[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000540728904 566668511 /nfs/dbraw/zinc/66/85/11/566668511.db2.gz UGLVADIKDIOFAM-CYBMUJFWSA-N 0 1 384.864 3.474 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 ZINC000487393077 566668592 /nfs/dbraw/zinc/66/85/92/566668592.db2.gz MTZYVYHMNUCCBO-CQSZACIVSA-N 0 1 379.787 3.423 20 0 GGADMN C[C@](O)(CNCc1cccc(Br)c1OC(F)F)C(F)(F)F ZINC000540734630 566668727 /nfs/dbraw/zinc/66/87/27/566668727.db2.gz QIDRZHWOHQMVJC-NSHDSACASA-N 0 1 378.135 3.453 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc2nc[nH]c21 ZINC000540731027 566668744 /nfs/dbraw/zinc/66/87/44/566668744.db2.gz MWUHJLPWDLBTFB-ZDUSSCGKSA-N 0 1 385.265 3.334 20 0 GGADMN CC(C)(C)Cc1csc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)n1 ZINC000540733771 566668802 /nfs/dbraw/zinc/66/88/02/566668802.db2.gz VJDSBJIWADPKGB-UHFFFAOYSA-N 0 1 385.486 3.495 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1cn[nH]c1C ZINC000467816557 566669060 /nfs/dbraw/zinc/66/90/60/566669060.db2.gz GJEIFLJQZDMRNO-ABAIWWIYSA-N 0 1 381.274 3.056 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCCO1 ZINC000467812743 566669337 /nfs/dbraw/zinc/66/93/37/566669337.db2.gz FUPRUBRFHLMCCB-CQSZACIVSA-N 0 1 378.270 3.480 20 0 GGADMN Cc1cc(CN[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)n[nH]1 ZINC000675892722 566669408 /nfs/dbraw/zinc/66/94/08/566669408.db2.gz WONSMOGFXFATIV-LLVKDONJSA-N 0 1 375.274 3.221 20 0 GGADMN Cc1cc(CNC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000607378946 566669569 /nfs/dbraw/zinc/66/95/69/566669569.db2.gz FJSLPGNCRYMBHB-UHFFFAOYSA-N 0 1 377.286 3.354 20 0 GGADMN CC(C)[C@H]1CN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCN1C ZINC000487403725 566669952 /nfs/dbraw/zinc/66/99/52/566669952.db2.gz WAVDKJBOZMVKEJ-HZPDHXFCSA-N 0 1 396.329 3.254 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC(c3cccc(Br)c3)CC2)[nH]1 ZINC000467841532 566670465 /nfs/dbraw/zinc/67/04/65/566670465.db2.gz UXGGPCWCFLWIDL-UHFFFAOYSA-N 0 1 395.326 3.374 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC(c3cccc(Br)c3)CC2)n1 ZINC000467841532 566670470 /nfs/dbraw/zinc/67/04/70/566670470.db2.gz UXGGPCWCFLWIDL-UHFFFAOYSA-N 0 1 395.326 3.374 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000467837651 566671088 /nfs/dbraw/zinc/67/10/88/566671088.db2.gz DYULAVKEOUJIIV-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN Cc1cc2cc(C(=O)N3CC[C@@H](c4nc[nH]n4)C3)oc2c(Br)c1 ZINC000580184369 566671359 /nfs/dbraw/zinc/67/13/59/566671359.db2.gz WZFRVAOQNOGXCE-SNVBAGLBSA-N 0 1 375.226 3.252 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000425729267 566671478 /nfs/dbraw/zinc/67/14/78/566671478.db2.gz PCQIVYKBOLDTKW-UHFFFAOYSA-N 0 1 394.151 3.130 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NC(C)=O)c(OC)c2)c1 ZINC000487417453 566671613 /nfs/dbraw/zinc/67/16/13/566671613.db2.gz FLJIBXXMNITSPA-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN C[C@H](NC(=O)Nc1cc(Br)ccc1OC(F)(F)F)c1nnc[nH]1 ZINC000425726466 566671801 /nfs/dbraw/zinc/67/18/01/566671801.db2.gz JDUFQGCEWJECAM-LURJTMIESA-N 0 1 394.151 3.349 20 0 GGADMN C[C@H](O)CN1CCN(c2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000450451979 566672632 /nfs/dbraw/zinc/67/26/32/566672632.db2.gz LCIAZOIEAPPYSA-NSHDSACASA-N 0 1 384.705 3.154 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000629601548 566672832 /nfs/dbraw/zinc/67/28/32/566672832.db2.gz SUZOECALVJJSLZ-CYBMUJFWSA-N 0 1 389.308 3.142 20 0 GGADMN C[C@H](NCCC(=O)Nc1ccccn1)c1ccccc1I ZINC000540814556 566673052 /nfs/dbraw/zinc/67/30/52/566673052.db2.gz VQLZVVLABZQHNA-LBPRGKRZSA-N 0 1 395.244 3.366 20 0 GGADMN O=S(=O)([N-][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000514850931 566672976 /nfs/dbraw/zinc/67/29/76/566672976.db2.gz OSMLBBRJWZMZGZ-SWLSCSKDSA-N 0 1 389.279 3.166 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@H]2CC23CC3)cc1 ZINC000561073268 566674406 /nfs/dbraw/zinc/67/44/06/566674406.db2.gz YOSGAAHLDOOANT-CYBMUJFWSA-N 0 1 376.503 3.387 20 0 GGADMN O=S(=O)(CCN[C@H]1CCN(c2ccc(Cl)cc2F)C1)c1ccccc1 ZINC000629607159 566674490 /nfs/dbraw/zinc/67/44/90/566674490.db2.gz QHVIFMVKXDVPDA-HNNXBMFYSA-N 0 1 382.888 3.121 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(Br)sc1C ZINC000676076608 566675298 /nfs/dbraw/zinc/67/52/98/566675298.db2.gz UWEIWUDZCQAHDO-UHFFFAOYSA-N 0 1 395.325 3.089 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000514871846 566675357 /nfs/dbraw/zinc/67/53/57/566675357.db2.gz LSJRFXTYGMHQLY-CJNGLKHVSA-N 0 1 391.313 3.454 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000676075811 566675391 /nfs/dbraw/zinc/67/53/91/566675391.db2.gz ARSYLRAOUHRXQD-UHFFFAOYSA-N 0 1 378.397 3.283 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C(N)=O)sc2C)c(Cl)c1Cl ZINC000676075781 566675597 /nfs/dbraw/zinc/67/55/97/566675597.db2.gz AHMGOCLWTRYGEW-UHFFFAOYSA-N 0 1 395.289 3.272 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000676077328 566675744 /nfs/dbraw/zinc/67/57/44/566675744.db2.gz NZRNNUNRYVECTN-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN C[C@H]1CCN(S(=O)(=O)CCCC(F)(F)F)CCN1Cc1ccccc1 ZINC000540855818 566676259 /nfs/dbraw/zinc/67/62/59/566676259.db2.gz IQRLLQADQXWAES-HNNXBMFYSA-N 0 1 378.460 3.255 20 0 GGADMN O=S(=O)(NCC1(N2CCSCC2)CCCC1)c1ccc(C(F)F)cc1 ZINC000580230156 566676470 /nfs/dbraw/zinc/67/64/70/566676470.db2.gz YVBYVMFLZJAPMC-UHFFFAOYSA-N 0 1 390.521 3.264 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000561104632 566676738 /nfs/dbraw/zinc/67/67/38/566676738.db2.gz DSEDPYKBDBYCRT-UHFFFAOYSA-N 0 1 375.519 3.049 20 0 GGADMN CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000514895498 566676989 /nfs/dbraw/zinc/67/69/89/566676989.db2.gz VQYBOEUWGOYQQO-UHFFFAOYSA-N 0 1 378.460 3.237 20 0 GGADMN Cn1cc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c(C2CC2)n1 ZINC000514899064 566677802 /nfs/dbraw/zinc/67/78/02/566677802.db2.gz AYDZWYQQCFVGSP-UHFFFAOYSA-N 0 1 387.241 3.097 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2Br)C[C@H]1C ZINC000450497733 566677820 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CN(C)c1nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2[nH]1 ZINC000468039739 566680566 /nfs/dbraw/zinc/68/05/66/566680566.db2.gz SARZZDGYCVKRKR-UHFFFAOYSA-N 0 1 389.253 3.409 20 0 GGADMN CN(C)c1nc2ccc(NC(=O)COc3ccccc3Br)cc2[nH]1 ZINC000468043054 566680723 /nfs/dbraw/zinc/68/07/23/566680723.db2.gz QMZGCHYGLYDHGV-UHFFFAOYSA-N 0 1 389.253 3.409 20 0 GGADMN CCOc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000487563732 566681168 /nfs/dbraw/zinc/68/11/68/566681168.db2.gz SPFMDEVAVNOQHG-UHFFFAOYSA-N 0 1 392.905 3.007 20 0 GGADMN Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(Br)s1 ZINC000561165504 566681648 /nfs/dbraw/zinc/68/16/48/566681648.db2.gz IAEVHVAEEXSGRO-LBPRGKRZSA-N 0 1 386.290 3.386 20 0 GGADMN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NCc2cc(Cl)cs2)C1=O ZINC000487573739 566681603 /nfs/dbraw/zinc/68/16/03/566681603.db2.gz OMOLQEGSGDFHFN-GJZGRUSLSA-N 0 1 386.945 3.458 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000540910055 566682044 /nfs/dbraw/zinc/68/20/44/566682044.db2.gz UIABEQMKDNRWOF-LLVKDONJSA-N 0 1 394.244 3.210 20 0 GGADMN CN(Cc1cc(Br)cn1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000468070652 566682465 /nfs/dbraw/zinc/68/24/65/566682465.db2.gz VQJSKZLSFJSHIX-HNNXBMFYSA-N 0 1 387.705 3.313 20 0 GGADMN CN(CCc1ccc(Br)cc1)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000425924908 566682535 /nfs/dbraw/zinc/68/25/35/566682535.db2.gz VKQXFUYRRYFJQA-UHFFFAOYSA-N 0 1 380.311 3.217 20 0 GGADMN COc1ccccc1SC[C@H](C)CNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000425930674 566682742 /nfs/dbraw/zinc/68/27/42/566682742.db2.gz YBWVQLHZTANBFH-GFCCVEGCSA-N 0 1 377.535 3.306 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN(C)Cc2cc(Br)cn2C)c1 ZINC000468098934 566683074 /nfs/dbraw/zinc/68/30/74/566683074.db2.gz CNWCSRCFBXZRRN-KRWDZBQOSA-N 0 1 381.314 3.276 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)CC[C@@H]1C(=O)[O-] ZINC000629772011 566683846 /nfs/dbraw/zinc/68/38/46/566683846.db2.gz KZHFRZGGTDVRIR-YPMHNXCESA-N 0 1 384.270 3.153 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629772366 566683885 /nfs/dbraw/zinc/68/38/85/566683885.db2.gz NSFPUJGWJBROTB-MLGOLLRUSA-N 0 1 378.270 3.177 20 0 GGADMN O=C([O-])CC1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000580336392 566684030 /nfs/dbraw/zinc/68/40/30/566684030.db2.gz LABXOLGHHQGDAL-UHFFFAOYSA-N 0 1 386.271 3.247 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629771989 566684340 /nfs/dbraw/zinc/68/43/40/566684340.db2.gz KQGBYMNQUWOBMO-PXAZEXFGSA-N 0 1 392.297 3.486 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)c(Cl)c1Cl ZINC000607880817 566684310 /nfs/dbraw/zinc/68/43/10/566684310.db2.gz IMHQMYDTVWXIIU-UHFFFAOYSA-N 0 1 393.223 3.041 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000468135708 566684438 /nfs/dbraw/zinc/68/44/38/566684438.db2.gz FXPVBFFBIDEKMJ-ZIAGYGMSSA-N 0 1 396.329 3.097 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@H]1C(=O)[O-] ZINC000629772771 566684689 /nfs/dbraw/zinc/68/46/89/566684689.db2.gz WUBFUJJSCONLJX-SMDDNHRTSA-N 0 1 378.270 3.382 20 0 GGADMN CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000629772935 566684728 /nfs/dbraw/zinc/68/47/28/566684728.db2.gz ZPUWINYJHKURNT-WCQYABFASA-N 0 1 386.286 3.399 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629771992 566684774 /nfs/dbraw/zinc/68/47/74/566684774.db2.gz KQGBYMNQUWOBMO-YVEFUNNKSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629771990 566684818 /nfs/dbraw/zinc/68/48/18/566684818.db2.gz KQGBYMNQUWOBMO-SJCJKPOMSA-N 0 1 392.297 3.486 20 0 GGADMN CC(F)(F)CCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000450565438 566685593 /nfs/dbraw/zinc/68/55/93/566685593.db2.gz ZHCZFKAZSZLSAE-UHFFFAOYSA-N 0 1 377.363 3.040 20 0 GGADMN O=C(CCC[N@H+]1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Br)cc1 ZINC000450576338 566685852 /nfs/dbraw/zinc/68/58/52/566685852.db2.gz PIHZMLWRINFSDS-SFHVURJKSA-N 0 1 379.298 3.014 20 0 GGADMN CCN(CCNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)CCC(F)(F)F ZINC000425996145 566686137 /nfs/dbraw/zinc/68/61/37/566686137.db2.gz OGZADPIJSNKXEZ-CYBMUJFWSA-N 0 1 378.464 3.476 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(Br)c(O)c1 ZINC000580358957 566686397 /nfs/dbraw/zinc/68/63/97/566686397.db2.gz MXDWRBJDIQZRTG-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(Br)c([O-])c1 ZINC000580358957 566686417 /nfs/dbraw/zinc/68/64/17/566686417.db2.gz MXDWRBJDIQZRTG-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN CCN(CCNC(=O)N[C@H](c1nc(C)cs1)C1CC1)CCC(F)(F)F ZINC000425996146 566686661 /nfs/dbraw/zinc/68/66/61/566686661.db2.gz OGZADPIJSNKXEZ-ZDUSSCGKSA-N 0 1 378.464 3.476 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000607903901 566686900 /nfs/dbraw/zinc/68/69/00/566686900.db2.gz VYHDWESYKCJVBV-BDXSIMOUSA-N 0 1 383.319 3.155 20 0 GGADMN OC[C@@]1(NCc2cc(Br)c3c(c2)OCCO3)CCc2ccccc21 ZINC000676355356 566687459 /nfs/dbraw/zinc/68/74/59/566687459.db2.gz LRGPGXKTGLBYII-IBGZPJMESA-N 0 1 390.277 3.144 20 0 GGADMN O=S(=O)(CCN1CCCC1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000580379450 566687590 /nfs/dbraw/zinc/68/75/90/566687590.db2.gz BFQYXBKSOGWAPO-INIZCTEOSA-N 0 1 377.337 3.460 20 0 GGADMN O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000468198830 566688573 /nfs/dbraw/zinc/68/85/73/566688573.db2.gz LPBAKMMUZMSXAV-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN Cn1cnc2[nH]c(=O)cc(C(=O)Nc3cc(Cl)cc(Br)c3O)c21 ZINC000561269098 566690406 /nfs/dbraw/zinc/69/04/06/566690406.db2.gz DONINXAKMBRQLS-UHFFFAOYSA-N 0 1 397.616 3.048 20 0 GGADMN CC(C)N(C(=O)CN[C@@H](CO)c1ccc(Br)cc1)C1CCCC1 ZINC000541053814 566691271 /nfs/dbraw/zinc/69/12/71/566691271.db2.gz HPAVBAZGKKXLAE-KRWDZBQOSA-N 0 1 383.330 3.252 20 0 GGADMN CCN(CC)C(=O)CN1CCCN([C@@H](C)c2ccccc2Br)CC1 ZINC000468229996 566691545 /nfs/dbraw/zinc/69/15/45/566691545.db2.gz JSPPXLJKOVFOKS-INIZCTEOSA-N 0 1 396.373 3.386 20 0 GGADMN Cc1ccccc1[C@@H](CO)NCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000541053360 566691795 /nfs/dbraw/zinc/69/17/95/566691795.db2.gz FDYYTJQYUIXDEI-RDTXWAMCSA-N 0 1 391.309 3.258 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCc2sc(Br)cc2C1 ZINC000676420430 566692187 /nfs/dbraw/zinc/69/21/87/566692187.db2.gz IGXCLBVLHAKAPG-UHFFFAOYSA-N 0 1 383.315 3.243 20 0 GGADMN C[C@](N)(C(=O)NCCCOc1ccccc1)c1ccc(Br)cc1 ZINC000580438975 566692446 /nfs/dbraw/zinc/69/24/46/566692446.db2.gz KWHSDOAKEYKSQU-GOSISDBHSA-N 0 1 377.282 3.208 20 0 GGADMN CCc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1Br ZINC000468242688 566692605 /nfs/dbraw/zinc/69/26/05/566692605.db2.gz DPVMDMHIVZCLED-CQSZACIVSA-N 0 1 391.313 3.129 20 0 GGADMN CCN(CC)C(=O)CN1CCCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000468243706 566693288 /nfs/dbraw/zinc/69/32/88/566693288.db2.gz UEWURYAUJZUSDO-INIZCTEOSA-N 0 1 396.373 3.386 20 0 GGADMN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000541078700 566694578 /nfs/dbraw/zinc/69/45/78/566694578.db2.gz VPZOZMWXLALRKY-XMMPIXPASA-N 0 1 376.459 3.021 20 0 GGADMN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000580474554 566695566 /nfs/dbraw/zinc/69/55/66/566695566.db2.gz CFNRGKSDAHGMSU-UHFFFAOYSA-N 0 1 397.294 3.342 20 0 GGADMN O=S(=O)(NCc1ccccc1-n1ccnc1)c1c(Cl)ccc(F)c1F ZINC000515186998 566695940 /nfs/dbraw/zinc/69/59/40/566695940.db2.gz FICNTOVFPPRSMN-UHFFFAOYSA-N 0 1 383.807 3.282 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000608041161 566696070 /nfs/dbraw/zinc/69/60/70/566696070.db2.gz POVPYEQAGGDTQB-OAHLLOKOSA-N 0 1 382.888 3.374 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2cc(F)c(F)cc2Br)c[nH]1 ZINC000676459326 566696698 /nfs/dbraw/zinc/69/66/98/566696698.db2.gz WMZUCXZDRHJRKR-UHFFFAOYSA-N 0 1 380.214 3.375 20 0 GGADMN Cc1ncsc1CNCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000608054032 566696815 /nfs/dbraw/zinc/69/68/15/566696815.db2.gz KAVUUMHHFFJJJG-CQSZACIVSA-N 0 1 379.551 3.162 20 0 GGADMN CC(C)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000541123651 566697343 /nfs/dbraw/zinc/69/73/43/566697343.db2.gz ZFRIXDHNTCLJNF-OWJWWREXSA-N 0 1 379.547 3.457 20 0 GGADMN O=C(CC1CCCCC1)NCCNCc1cn2ccc(Br)cc2n1 ZINC000580501212 566697859 /nfs/dbraw/zinc/69/78/59/566697859.db2.gz UKMABRXTUTUJKL-UHFFFAOYSA-N 0 1 393.329 3.273 20 0 GGADMN CN(C)c1ncc(CNC2(c3cccc(Br)c3)CCOCC2)cn1 ZINC000608056517 566698205 /nfs/dbraw/zinc/69/82/05/566698205.db2.gz SJJMEFCYXVUCBW-UHFFFAOYSA-N 0 1 391.313 3.101 20 0 GGADMN CS[C@@H]1CCN(c2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)C1 ZINC000450687073 566698179 /nfs/dbraw/zinc/69/81/79/566698179.db2.gz WNYGEOIHOGYDTC-CQSZACIVSA-N 0 1 385.461 3.102 20 0 GGADMN CC[C@@H](C)[C@](C)(O)CNCc1c(Br)cncc1Br ZINC000580491675 566698337 /nfs/dbraw/zinc/69/83/37/566698337.db2.gz QHBQQTCOJKKTKA-NOZJJQNGSA-N 0 1 380.124 3.493 20 0 GGADMN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)cc(Br)c1[O-])C2 ZINC000629995586 566698422 /nfs/dbraw/zinc/69/84/22/566698422.db2.gz BSGPHZZBZUUIIT-MRXNPFEDSA-N 0 1 387.705 3.366 20 0 GGADMN O=c1cc(CN[C@@H](CCO)c2ccc(Cl)cc2)nc2ccc(Cl)cn12 ZINC000561348135 566698782 /nfs/dbraw/zinc/69/87/82/566698782.db2.gz KUPYFSFSWCHDFW-INIZCTEOSA-N 0 1 378.259 3.215 20 0 GGADMN O=c1cc(CN[C@H](CCO)c2ccc(Cl)cc2)nc2ccc(Cl)cn12 ZINC000561348138 566698809 /nfs/dbraw/zinc/69/88/09/566698809.db2.gz KUPYFSFSWCHDFW-MRXNPFEDSA-N 0 1 378.259 3.215 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(F)c(Br)c(Cl)c2)[nH]1 ZINC000561378538 566700048 /nfs/dbraw/zinc/70/00/48/566700048.db2.gz BPLRZHDDHRFEFY-UHFFFAOYSA-N 0 1 379.642 3.399 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(F)c(Br)c(Cl)c2)n1 ZINC000561378538 566700056 /nfs/dbraw/zinc/70/00/56/566700056.db2.gz BPLRZHDDHRFEFY-UHFFFAOYSA-N 0 1 379.642 3.399 20 0 GGADMN C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000515236396 566700028 /nfs/dbraw/zinc/70/00/28/566700028.db2.gz MGJIXWHBMJCVBW-NEPJUHHUSA-N 0 1 379.258 3.137 20 0 GGADMN COc1cnc(NS(=O)(=O)c2cc(C)ccc2F)c(Br)c1 ZINC000515248986 566700763 /nfs/dbraw/zinc/70/07/63/566700763.db2.gz ANLOQASSOYKVSM-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN Cc1cccc(CNC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000468423822 566700676 /nfs/dbraw/zinc/70/06/76/566700676.db2.gz RVGGRNDHVMCFLI-GJZGRUSLSA-N 0 1 398.345 3.056 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2c(C)onc2-c2cccc(Br)c2)n[nH]1 ZINC000561381274 566701089 /nfs/dbraw/zinc/70/10/89/566701089.db2.gz HOEMJPCXYBVXFB-MRVPVSSYSA-N 0 1 390.241 3.330 20 0 GGADMN COC(=O)c1cn(C2CCN(CCc3c(Cl)cccc3Cl)CC2)nn1 ZINC000450745531 566702462 /nfs/dbraw/zinc/70/24/62/566702462.db2.gz PLEPKMIVMCGVDB-UHFFFAOYSA-N 0 1 383.279 3.251 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000653923846 566703548 /nfs/dbraw/zinc/70/35/48/566703548.db2.gz JTKMFOYXAHZYLV-LBPRGKRZSA-N 0 1 380.246 3.049 20 0 GGADMN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCCc1nc[nH]n1 ZINC000515307174 566704068 /nfs/dbraw/zinc/70/40/68/566704068.db2.gz CSKQJILXFNFTFH-UHFFFAOYSA-N 0 1 380.235 3.438 20 0 GGADMN COC[C@H](NS(=O)(=O)c1cccc(Br)c1F)c1ccc(C)o1 ZINC000541213735 566704179 /nfs/dbraw/zinc/70/41/79/566704179.db2.gz YGFUORDKEXHFTD-NSHDSACASA-N 0 1 392.246 3.156 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(OC)cc2OC)c1Br ZINC000468497322 566705673 /nfs/dbraw/zinc/70/56/73/566705673.db2.gz WXMZHRUPKQZMFR-UHFFFAOYSA-N 0 1 382.258 3.024 20 0 GGADMN CC(C)[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CCN1C ZINC000488068517 566705782 /nfs/dbraw/zinc/70/57/82/566705782.db2.gz BVWBKXLRJAQKAN-LLVKDONJSA-N 0 1 385.331 3.333 20 0 GGADMN Cc1c(Br)cccc1NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000653964605 566705887 /nfs/dbraw/zinc/70/58/87/566705887.db2.gz HKWNJROHLNZHLL-LBPRGKRZSA-N 0 1 380.246 3.049 20 0 GGADMN CC(C)[C@@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CCN1C ZINC000488068523 566706553 /nfs/dbraw/zinc/70/65/53/566706553.db2.gz BVWBKXLRJAQKAN-NSHDSACASA-N 0 1 385.331 3.333 20 0 GGADMN CC(C)c1nnc(CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000561471511 566707581 /nfs/dbraw/zinc/70/75/81/566707581.db2.gz FDWLGCYRBQWMCZ-UHFFFAOYSA-N 0 1 399.391 3.178 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000608220029 566708517 /nfs/dbraw/zinc/70/85/17/566708517.db2.gz SOTAGTUZZKPCJW-CYBMUJFWSA-N 0 1 393.285 3.301 20 0 GGADMN O=C(CCc1cc(F)ccc1Br)Nc1ccn(-c2ccncc2)n1 ZINC000541262779 566708615 /nfs/dbraw/zinc/70/86/15/566708615.db2.gz LLYRGIHNUOQKAX-UHFFFAOYSA-N 0 1 389.228 3.162 20 0 GGADMN C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1ccc(Br)cc1 ZINC000608217761 566708608 /nfs/dbraw/zinc/70/86/08/566708608.db2.gz WHSRBQMHYXEABM-NSHDSACASA-N 0 1 378.270 3.248 20 0 GGADMN Cn1ccnc1[C@@H](NCCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000515376595 566708774 /nfs/dbraw/zinc/70/87/74/566708774.db2.gz UMNDIEFTLYUYAD-INIZCTEOSA-N 0 1 377.286 3.252 20 0 GGADMN CCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000468547589 566709017 /nfs/dbraw/zinc/70/90/17/566709017.db2.gz KBQYSBICNKHNOI-UHFFFAOYSA-N 0 1 386.945 3.282 20 0 GGADMN Cn1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c(-c2ccncc2)n1 ZINC000608220058 566709027 /nfs/dbraw/zinc/70/90/27/566709027.db2.gz WTOFZWZMMDRSEG-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN O=C(CCSc1cccc(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000515400567 566709886 /nfs/dbraw/zinc/70/98/86/566709886.db2.gz ULWDCIPAKMKJPE-MRXNPFEDSA-N 0 1 382.957 3.393 20 0 GGADMN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCCF ZINC000561502807 566710092 /nfs/dbraw/zinc/71/00/92/566710092.db2.gz YIELWMNWQNQMMK-UHFFFAOYSA-N 0 1 384.439 3.149 20 0 GGADMN O=C([O-])CCCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000561517209 566712671 /nfs/dbraw/zinc/71/26/71/566712671.db2.gz OCYRIAKSIAHEMJ-KRWDZBQOSA-N 0 1 397.313 3.347 20 0 GGADMN O=S(=O)(CCNCc1cnc(-c2ccc(Cl)cc2)s1)NCC1CCC1 ZINC000580664283 566713611 /nfs/dbraw/zinc/71/36/11/566713611.db2.gz IUBAZCIBYZCDHI-UHFFFAOYSA-N 0 1 399.969 3.273 20 0 GGADMN CC[C@@H](C)N1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000450853296 566713727 /nfs/dbraw/zinc/71/37/27/566713727.db2.gz BBHCXBHPSBHCHH-GFCCVEGCSA-N 0 1 384.347 3.071 20 0 GGADMN Cc1nnc(NC(=O)c2cc(I)c(Cl)cc2Cl)[nH]1 ZINC000426487670 566713855 /nfs/dbraw/zinc/71/38/55/566713855.db2.gz UWBSVPQYLCHSQG-UHFFFAOYSA-N 0 1 397.003 3.277 20 0 GGADMN Cc1n[nH]c(NC(=O)c2cc(I)c(Cl)cc2Cl)n1 ZINC000426487670 566713857 /nfs/dbraw/zinc/71/38/57/566713857.db2.gz UWBSVPQYLCHSQG-UHFFFAOYSA-N 0 1 397.003 3.277 20 0 GGADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1Cl ZINC000676889896 566714676 /nfs/dbraw/zinc/71/46/76/566714676.db2.gz WZMRXMFEMYKAPX-GFCCVEGCSA-N 0 1 382.835 3.121 20 0 GGADMN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc(Br)c(O)c1 ZINC000468611199 566714708 /nfs/dbraw/zinc/71/47/08/566714708.db2.gz MIRRFPFUZZHVHX-NSHDSACASA-N 0 1 380.242 3.035 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1ccc([S@@](C)=O)cc1)c1ccc(Cl)cc1 ZINC000580689384 566715074 /nfs/dbraw/zinc/71/50/74/566715074.db2.gz SCYGDBWROJIRSK-AVRWGWEMSA-N 0 1 378.925 3.039 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)n[nH]1 ZINC000426509899 566715319 /nfs/dbraw/zinc/71/53/19/566715319.db2.gz UUSNQVKMEGQPDI-MRVPVSSYSA-N 0 1 375.420 3.359 20 0 GGADMN C[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)c1nnnn1C1CC1 ZINC000580687708 566715301 /nfs/dbraw/zinc/71/53/01/566715301.db2.gz FJSBFKCBAJFDDZ-MRVPVSSYSA-N 0 1 392.286 3.409 20 0 GGADMN CN(C)[C@H](CNC(=O)Cc1ccc([S@@](C)=O)cc1)c1ccc(Cl)cc1 ZINC000580689387 566715510 /nfs/dbraw/zinc/71/55/10/566715510.db2.gz SCYGDBWROJIRSK-IQGLISFBSA-N 0 1 378.925 3.039 20 0 GGADMN COC(=O)c1sccc1S(=O)(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000541311008 566715559 /nfs/dbraw/zinc/71/55/59/566715559.db2.gz PTURPYBPIGTHDU-LBPRGKRZSA-N 0 1 385.429 3.324 20 0 GGADMN C[C@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc(Br)s1 ZINC000608356382 566715602 /nfs/dbraw/zinc/71/56/02/566715602.db2.gz NZNNJKZHLUXIGT-TVQRCGJNSA-N 0 1 392.282 3.033 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)n[nH]1 ZINC000426509902 566715785 /nfs/dbraw/zinc/71/57/85/566715785.db2.gz UUSNQVKMEGQPDI-QMMMGPOBSA-N 0 1 375.420 3.359 20 0 GGADMN COC(=O)c1sccc1S(=O)(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000541311007 566715741 /nfs/dbraw/zinc/71/57/41/566715741.db2.gz PTURPYBPIGTHDU-GFCCVEGCSA-N 0 1 385.429 3.324 20 0 GGADMN Cc1nc(SCC2(CS(C)(=O)=O)CCOCC2)[nH]c1-c1ccccc1 ZINC000488225254 566716043 /nfs/dbraw/zinc/71/60/43/566716043.db2.gz CPZMSKJAZACVTQ-UHFFFAOYSA-N 0 1 380.535 3.319 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000561539490 566717275 /nfs/dbraw/zinc/71/72/75/566717275.db2.gz COTZAMCQIGCZRE-BJOHPYRUSA-N 0 1 381.828 3.018 20 0 GGADMN O=S(=O)(NCCOc1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000515517309 566717411 /nfs/dbraw/zinc/71/74/11/566717411.db2.gz OBRIQJAAXMMBFC-UHFFFAOYSA-N 0 1 381.322 3.341 20 0 GGADMN COC(=O)c1occc1CN[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426558603 566717441 /nfs/dbraw/zinc/71/74/41/566717441.db2.gz JIKSTDQQUQHYKU-CQSZACIVSA-N 0 1 379.254 3.197 20 0 GGADMN Cc1ccc(F)c(Br)c1NC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654104794 566718080 /nfs/dbraw/zinc/71/80/80/566718080.db2.gz JBJKRVPRFFEZJL-SNVBAGLBSA-N 0 1 398.236 3.188 20 0 GGADMN COC(=O)c1coc(CN[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000426581088 566718407 /nfs/dbraw/zinc/71/84/07/566718407.db2.gz SLDRASDWVKRLTK-AWEZNQCLSA-N 0 1 379.254 3.197 20 0 GGADMN CCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1 ZINC000488292503 566719451 /nfs/dbraw/zinc/71/94/51/566719451.db2.gz JGOFKKNKCVJAMR-UHFFFAOYSA-N 0 1 386.945 3.282 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCCc2cnn(C)c2)CC1 ZINC000608500046 566719643 /nfs/dbraw/zinc/71/96/43/566719643.db2.gz UWIROTFTLYPKMQ-MRXNPFEDSA-N 0 1 391.357 3.494 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000580759114 566721049 /nfs/dbraw/zinc/72/10/49/566721049.db2.gz RSVMSZGHNKLEBQ-QWHCGFSZSA-N 0 1 377.286 3.285 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Br ZINC000488323280 566721789 /nfs/dbraw/zinc/72/17/89/566721789.db2.gz BSAUAVAZSLFGRD-UHFFFAOYSA-N 0 1 375.219 3.183 20 0 GGADMN O=S(=O)(NCCN[C@@H]1CCc2c1cc(F)cc2F)c1cccc(Cl)c1 ZINC000677042863 566722422 /nfs/dbraw/zinc/72/24/22/566722422.db2.gz KWEINPFMWRKTDI-QGZVFWFLSA-N 0 1 386.851 3.174 20 0 GGADMN COCCOc1ccccc1CN(CCO)Cc1cccc(Br)c1 ZINC000488381420 566722727 /nfs/dbraw/zinc/72/27/27/566722727.db2.gz RZWWYYGVZCXHAG-UHFFFAOYSA-N 0 1 394.309 3.469 20 0 GGADMN Cc1nc(C[NH2+]Cc2cn(C)nc2-c2ccccc2Cl)sc1C(=O)[O-] ZINC000426698633 566723792 /nfs/dbraw/zinc/72/37/92/566723792.db2.gz ZZGVXFGUYMXCQZ-UHFFFAOYSA-N 0 1 376.869 3.493 20 0 GGADMN CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000450955197 566724086 /nfs/dbraw/zinc/72/40/86/566724086.db2.gz DUSFPLAQNYJKNS-UHFFFAOYSA-N 0 1 379.507 3.417 20 0 GGADMN Cc1ccc(Br)cc1-c1n[n-]c(=N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000468739069 566724063 /nfs/dbraw/zinc/72/40/63/566724063.db2.gz OJSCPNJVBPMQHL-LBPRGKRZSA-N 0 1 390.310 3.321 20 0 GGADMN COc1ccc(CN(CCO)Cc2cccc(Br)c2)cc1OC ZINC000488401203 566724922 /nfs/dbraw/zinc/72/49/22/566724922.db2.gz WNUNKJVMZMJNEG-UHFFFAOYSA-N 0 1 380.282 3.461 20 0 GGADMN CS(=O)(=O)N1CC[C@@H](N[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000515659148 566725179 /nfs/dbraw/zinc/72/51/79/566725179.db2.gz HAZBBUBVZLJAQR-MSOLQXFVSA-N 0 1 382.888 3.192 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000677128814 566725434 /nfs/dbraw/zinc/72/54/34/566725434.db2.gz CJZBWGQQKJYYSV-IBGZPJMESA-N 0 1 388.261 3.469 20 0 GGADMN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(F)c1 ZINC000450963337 566725546 /nfs/dbraw/zinc/72/55/46/566725546.db2.gz XLVURSSYUFEKBT-UHFFFAOYSA-N 0 1 386.470 3.087 20 0 GGADMN CO[C@@H](CNCCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000580828997 566726224 /nfs/dbraw/zinc/72/62/24/566726224.db2.gz UYDHKBPBJMAROS-KRWDZBQOSA-N 0 1 398.322 3.200 20 0 GGADMN CO[C@H](CNCCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000580828998 566726237 /nfs/dbraw/zinc/72/62/37/566726237.db2.gz UYDHKBPBJMAROS-QGZVFWFLSA-N 0 1 398.322 3.200 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)CCCCc1cn[nH]n1 ZINC000468757671 566726485 /nfs/dbraw/zinc/72/64/85/566726485.db2.gz AJFZDYYYBJQSCO-LLVKDONJSA-N 0 1 383.265 3.167 20 0 GGADMN O=C(N1CCN(C2CCOCC2)CC1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000468765466 566726880 /nfs/dbraw/zinc/72/68/80/566726880.db2.gz ATYLFFJIQGRLGF-UHFFFAOYSA-N 0 1 383.319 3.348 20 0 GGADMN CCN1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)C[C@H]1C ZINC000677177803 566728351 /nfs/dbraw/zinc/72/83/51/566728351.db2.gz WJCDMSQIMSSDCK-NVXWUHKLSA-N 0 1 397.357 3.197 20 0 GGADMN CCN1CCN(C(=O)c2cc(C)nc3cc(Br)ccc32)C[C@@H]1C ZINC000677181624 566728379 /nfs/dbraw/zinc/72/83/79/566728379.db2.gz BGFFXXKBQFOGEL-ZDUSSCGKSA-N 0 1 376.298 3.472 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000515718068 566729027 /nfs/dbraw/zinc/72/90/27/566729027.db2.gz RCWVJTJUKSEJCJ-HNNXBMFYSA-N 0 1 389.323 3.235 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1Br ZINC000515737707 566730198 /nfs/dbraw/zinc/73/01/98/566730198.db2.gz DPNFLAKVISYXBP-OCCSQVGLSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)n1 ZINC000580879441 566730322 /nfs/dbraw/zinc/73/03/22/566730322.db2.gz XLMJDUKHUVRMNB-ABAIWWIYSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1nnc([C@@H]2CCN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)[nH]1 ZINC000580879441 566730326 /nfs/dbraw/zinc/73/03/26/566730326.db2.gz XLMJDUKHUVRMNB-ABAIWWIYSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1n[nH]c([C@H]2CCN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)n1 ZINC000580879443 566730513 /nfs/dbraw/zinc/73/05/13/566730513.db2.gz XLMJDUKHUVRMNB-NHYWBVRUSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1nnc([C@H]2CCN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)[nH]1 ZINC000580879443 566730520 /nfs/dbraw/zinc/73/05/20/566730520.db2.gz XLMJDUKHUVRMNB-NHYWBVRUSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000677234131 566730458 /nfs/dbraw/zinc/73/04/58/566730458.db2.gz NVIZNFZLDWOAEQ-UHFFFAOYSA-N 0 1 390.690 3.497 20 0 GGADMN Cc1cccc(C)c1CS(=O)(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000450991003 566730683 /nfs/dbraw/zinc/73/06/83/566730683.db2.gz JHNHUADDAQLENI-UHFFFAOYSA-N 0 1 387.910 3.302 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1ccccc1F ZINC000426803635 566730692 /nfs/dbraw/zinc/73/06/92/566730692.db2.gz NZUVNUMVZDHESJ-OAHLLOKOSA-N 0 1 380.213 3.439 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2cccc(OCC(F)(F)F)c2)s1 ZINC000468799449 566731053 /nfs/dbraw/zinc/73/10/53/566731053.db2.gz BOHCEAQEMQNKPQ-UHFFFAOYSA-N 0 1 379.425 3.383 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)n1 ZINC000580879442 566731026 /nfs/dbraw/zinc/73/10/26/566731026.db2.gz XLMJDUKHUVRMNB-IAQYHMDHSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1nnc([C@@H]2CCN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)[nH]1 ZINC000580879442 566731037 /nfs/dbraw/zinc/73/10/37/566731037.db2.gz XLMJDUKHUVRMNB-IAQYHMDHSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1Cl ZINC000608744487 566731270 /nfs/dbraw/zinc/73/12/70/566731270.db2.gz NIXYIJQDXFCXBU-OLZOCXBDSA-N 0 1 377.337 3.467 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1cccc(Br)c1F ZINC000541537822 566731868 /nfs/dbraw/zinc/73/18/68/566731868.db2.gz REDNXJSYORCOCO-UHFFFAOYSA-N 0 1 393.322 3.083 20 0 GGADMN CCN(CC(=O)Nc1c(F)cc(F)cc1Br)C[C@H]1CCOC1 ZINC000608756756 566732707 /nfs/dbraw/zinc/73/27/07/566732707.db2.gz 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CCOc1cc(CNC[C@H](n2cncn2)C(F)(F)F)cc(Cl)c1OC ZINC000631213668 566791678 /nfs/dbraw/zinc/79/16/78/566791678.db2.gz QUGIMKQQAUCLST-ZDUSSCGKSA-N 0 1 378.782 3.232 20 0 GGADMN CCOc1c(Cl)cc(CNC[C@H](n2cncn2)C(F)(F)F)cc1OC ZINC000631212453 566791687 /nfs/dbraw/zinc/79/16/87/566791687.db2.gz KRDUDVSVUXBOSR-ZDUSSCGKSA-N 0 1 378.782 3.232 20 0 GGADMN CCC(C)(C)N1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000655274562 566792429 /nfs/dbraw/zinc/79/24/29/566792429.db2.gz LXUQCBIHUNRNRK-UHFFFAOYSA-N 0 1 399.329 3.413 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1ncc(Br)cc1F ZINC000631235127 566792799 /nfs/dbraw/zinc/79/27/99/566792799.db2.gz MEBLPHAGFPRODR-QGZVFWFLSA-N 0 1 383.261 3.075 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc21)c1ccc(S(C)(=O)=O)cc1 ZINC000489516963 566793560 /nfs/dbraw/zinc/79/35/60/566793560.db2.gz YEPHHQOJUMHJEU-JTQLQIEISA-N 0 1 377.853 3.111 20 0 GGADMN CCN(C)C(=O)[C@@H](NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000451313254 566794356 /nfs/dbraw/zinc/79/43/56/566794356.db2.gz MKDHXBJRUXASJS-PXAZEXFGSA-N 0 1 388.339 3.263 20 0 GGADMN CC(C)(NC(=O)c1cccc(Br)c1O)C(=O)Nc1ccccc1 ZINC000678313892 566794893 /nfs/dbraw/zinc/79/48/93/566794893.db2.gz VLBRYHIDAGXCIB-UHFFFAOYSA-N 0 1 377.238 3.302 20 0 GGADMN CS(=O)(=O)Nc1cccc(CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000678340543 566795526 /nfs/dbraw/zinc/79/55/26/566795526.db2.gz UQSBOPPHDDWJOD-UHFFFAOYSA-N 0 1 382.913 3.096 20 0 GGADMN COCC(=O)NC1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000678312847 566795570 /nfs/dbraw/zinc/79/55/70/566795570.db2.gz NQUOFQOAHCWWAO-QGZVFWFLSA-N 0 1 381.314 3.054 20 0 GGADMN CS[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000451323690 566795644 /nfs/dbraw/zinc/79/56/44/566795644.db2.gz JEILGLMJDWWTIZ-ZWNOBZJWSA-N 0 1 390.290 3.056 20 0 GGADMN O=S(=O)(NCc1nc(C2CC2)cs1)c1cc(C(F)(F)F)ccc1O ZINC000451322488 566796402 /nfs/dbraw/zinc/79/64/02/566796402.db2.gz FYLMCPPRGZPJPV-UHFFFAOYSA-N 0 1 378.397 3.223 20 0 GGADMN CC(=O)NCCN(Cc1sc(C)nc1C(F)(F)F)C1CCSCC1 ZINC000516982557 566796820 /nfs/dbraw/zinc/79/68/20/566796820.db2.gz JZEYXQAAOIFNHN-UHFFFAOYSA-N 0 1 381.489 3.304 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@](C)(N)c3ccc(Br)cc3)CC2)[nH]n1 ZINC000516968881 566796947 /nfs/dbraw/zinc/79/69/47/566796947.db2.gz DGRYXOQGUXEQDH-SFHVURJKSA-N 0 1 391.313 3.061 20 0 GGADMN Cc1cncc(NS(=O)(=O)c2ccc(C)c(I)c2)c1 ZINC000427775574 566797212 /nfs/dbraw/zinc/79/72/12/566797212.db2.gz UTDHCWNCNVQDMK-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[nH]1 ZINC000581684618 566798065 /nfs/dbraw/zinc/79/80/65/566798065.db2.gz VPUYMXRRBIRXFQ-AWEZNQCLSA-N 0 1 395.326 3.408 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)n1 ZINC000581684618 566798072 /nfs/dbraw/zinc/79/80/72/566798072.db2.gz VPUYMXRRBIRXFQ-AWEZNQCLSA-N 0 1 395.326 3.408 20 0 GGADMN CCOCCC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H](C)C(=O)[O-] ZINC000581672060 566798188 /nfs/dbraw/zinc/79/81/88/566798188.db2.gz SDRFAEIMTSOLHS-LBPRGKRZSA-N 0 1 398.301 3.275 20 0 GGADMN CCOCCC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@H](C)C(=O)[O-] ZINC000581672060 566798195 /nfs/dbraw/zinc/79/81/95/566798195.db2.gz SDRFAEIMTSOLHS-LBPRGKRZSA-N 0 1 398.301 3.275 20 0 GGADMN CCOCCC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@H](C)C(=O)[O-] ZINC000581672060 566798199 /nfs/dbraw/zinc/79/81/99/566798199.db2.gz SDRFAEIMTSOLHS-LBPRGKRZSA-N 0 1 398.301 3.275 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)o1 ZINC000678399225 566798481 /nfs/dbraw/zinc/79/84/81/566798481.db2.gz GEBKUDFJOHZOOJ-INIZCTEOSA-N 0 1 395.297 3.347 20 0 GGADMN Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)nc(-c2ccc(Br)cc2)n1 ZINC000631307896 566798554 /nfs/dbraw/zinc/79/85/54/566798554.db2.gz WZSGLMKJMZLWTQ-CYBMUJFWSA-N 0 1 385.269 3.327 20 0 GGADMN CSc1cc(Br)ccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000655397836 566798615 /nfs/dbraw/zinc/79/86/15/566798615.db2.gz GHOLOGZZFLJWCR-VIFPVBQESA-N 0 1 398.282 3.279 20 0 GGADMN O=C1CC[C@@H](CSc2nc(-c3ccc(Br)cc3)n[nH]2)CCN1 ZINC000562534846 566799338 /nfs/dbraw/zinc/79/93/38/566799338.db2.gz ALJUQMCTIZYABQ-SNVBAGLBSA-N 0 1 381.299 3.243 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H]2CCCc3ccc(O)cc32)c(C)s1 ZINC000517008801 566800102 /nfs/dbraw/zinc/80/01/02/566800102.db2.gz ZYIFVCRRUPJMAY-QGZVFWFLSA-N 0 1 380.535 3.016 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(C)c(I)c2)cn1 ZINC000427803527 566800298 /nfs/dbraw/zinc/80/02/98/566800298.db2.gz WTRGSVCAWBDLSG-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@](C)(O)CSC)c1ccccc1Cl ZINC000610022288 566800944 /nfs/dbraw/zinc/80/09/44/566800944.db2.gz HTPKRKVJIIBXNN-WMZOPIPTSA-N 0 1 387.977 3.136 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000427840041 566801625 /nfs/dbraw/zinc/80/16/25/566801625.db2.gz VOZWZYIKRWURDZ-UHFFFAOYSA-N 0 1 391.320 3.480 20 0 GGADMN CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451357397 566801967 /nfs/dbraw/zinc/80/19/67/566801967.db2.gz GRHHUPBFOSDFAD-RISCZKNCSA-N 0 1 381.416 3.283 20 0 GGADMN CC(C)(C)n1nnc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000655466343 566802083 /nfs/dbraw/zinc/80/20/83/566802083.db2.gz WWMSKMGLFKAVRS-UHFFFAOYSA-N 0 1 394.302 3.268 20 0 GGADMN CN(CC(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@H]1CCSC1 ZINC000489665179 566802497 /nfs/dbraw/zinc/80/24/97/566802497.db2.gz IFCPRFYJUTYUAX-WCQYABFASA-N 0 1 387.368 3.149 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000542460438 566802499 /nfs/dbraw/zinc/80/24/99/566802499.db2.gz ZRQCWSXHYWPUOK-KRWDZBQOSA-N 0 1 378.314 3.464 20 0 GGADMN Clc1cccc([C@H](CNCc2nc3c(s2)CCC3)N2CCOCC2)c1 ZINC000678496646 566802729 /nfs/dbraw/zinc/80/27/29/566802729.db2.gz YMFHIHFCABEMJL-KRWDZBQOSA-N 0 1 377.941 3.448 20 0 GGADMN C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000517055699 566802790 /nfs/dbraw/zinc/80/27/90/566802790.db2.gz JTIAUTBYRCKHJU-NSHDSACASA-N 0 1 376.400 3.049 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C=C[C@H]4CCOC4)n3)n2)c1 ZINC000562563112 566802839 /nfs/dbraw/zinc/80/28/39/566802839.db2.gz IUHNBQKHGRUQKK-YEZKRMTDSA-N 0 1 388.225 3.334 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000517040422 566803138 /nfs/dbraw/zinc/80/31/38/566803138.db2.gz QHFFPYQYEDPHGR-LKFCYVNXSA-N 0 1 375.778 3.110 20 0 GGADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000427844942 566803176 /nfs/dbraw/zinc/80/31/76/566803176.db2.gz YFSIHPYFWOOFKZ-INIZCTEOSA-N 0 1 377.337 3.383 20 0 GGADMN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(Br)cn1 ZINC000517059440 566804277 /nfs/dbraw/zinc/80/42/77/566804277.db2.gz VRDKDLJDISYMNW-BEFAXECRSA-N 0 1 391.309 3.386 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc(F)c1Br ZINC000581740465 566804201 /nfs/dbraw/zinc/80/42/01/566804201.db2.gz YCIICTZYWSKZFN-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cccc(F)c1Br ZINC000581740465 566804206 /nfs/dbraw/zinc/80/42/06/566804206.db2.gz YCIICTZYWSKZFN-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(Br)c1 ZINC000517057530 566804498 /nfs/dbraw/zinc/80/44/98/566804498.db2.gz RDDYBKPTSDTNGA-GDBMZVCRSA-N 0 1 397.313 3.019 20 0 GGADMN C[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC2(CCOCC2)O1 ZINC000517070789 566804833 /nfs/dbraw/zinc/80/48/33/566804833.db2.gz BTWHRNXRCVKWGQ-ZDUSSCGKSA-N 0 1 388.277 3.237 20 0 GGADMN COc1ccc(Br)cc1CN[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000678581072 566805382 /nfs/dbraw/zinc/80/53/82/566805382.db2.gz QEMZAXNFHNOSLY-GFCCVEGCSA-N 0 1 388.269 3.284 20 0 GGADMN Cc1c([C@H](C)NC[C@H]2CCCCS2(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000542497983 566805717 /nfs/dbraw/zinc/80/57/17/566805717.db2.gz DPHNNFSBMRTGBM-SUMWQHHRSA-N 0 1 381.929 3.452 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1csc(Cl)c1 ZINC000469663750 566806248 /nfs/dbraw/zinc/80/62/48/566806248.db2.gz RFGHXQAUJWNWDX-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN COC(=O)c1ccccc1CC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000542510226 566806392 /nfs/dbraw/zinc/80/63/92/566806392.db2.gz KPUIZWXLNURSPE-UHFFFAOYSA-N 0 1 388.221 3.293 20 0 GGADMN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000427950618 566806452 /nfs/dbraw/zinc/80/64/52/566806452.db2.gz MPGJRIMOWKGWCL-MRVPVSSYSA-N 0 1 387.702 3.037 20 0 GGADMN C[C@H]1OCC[C@]12CN(C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000562615756 566807239 /nfs/dbraw/zinc/80/72/39/566807239.db2.gz QTCMCIXJVVNKCD-ONUSSAAZSA-N 0 1 390.307 3.001 20 0 GGADMN C[C@](N)(C(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000581825184 566807146 /nfs/dbraw/zinc/80/71/46/566807146.db2.gz GHYOKFHLCMDKHP-GOSISDBHSA-N 0 1 375.266 3.044 20 0 GGADMN C[C@H](Cc1cccs1)N(Cc1nc(=O)n(C)[nH]1)Cc1ccc(Cl)cc1 ZINC000542505933 566807208 /nfs/dbraw/zinc/80/72/08/566807208.db2.gz DUFGCFDNULTLAO-CYBMUJFWSA-N 0 1 376.913 3.457 20 0 GGADMN O=C1CC[C@@H](NCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 ZINC000542498645 566807277 /nfs/dbraw/zinc/80/72/77/566807277.db2.gz VBTQMUIURVSSMF-MRXNPFEDSA-N 0 1 378.881 3.177 20 0 GGADMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000581847793 566808835 /nfs/dbraw/zinc/80/88/35/566808835.db2.gz YUPGSFPHSIDAAH-CYBMUJFWSA-N 0 1 394.235 3.267 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1cc(C)[nH]n1 ZINC000678633499 566809365 /nfs/dbraw/zinc/80/93/65/566809365.db2.gz LXNCKWKHGSXVOC-IAQYHMDHSA-N 0 1 381.274 3.056 20 0 GGADMN C[C@H](CN(C)[C@@H](C)C(=O)NC(=O)NC1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469732476 566809804 /nfs/dbraw/zinc/80/98/04/566809804.db2.gz BYECZKNTLTWUMH-MNOVXSKESA-N 0 1 388.295 3.069 20 0 GGADMN COCC[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000542532756 566809894 /nfs/dbraw/zinc/80/98/94/566809894.db2.gz KFLOKUGGEKGKNR-ZBFHGGJFSA-N 0 1 384.270 3.149 20 0 GGADMN C[C@@H](CN(C)[C@@H](C)C(=O)NC(=O)NC1CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469732477 566809906 /nfs/dbraw/zinc/80/99/06/566809906.db2.gz BYECZKNTLTWUMH-QWRGUYRKSA-N 0 1 388.295 3.069 20 0 GGADMN O=C(NCCOC1CCCC1)NCc1nc2cccc(Br)c2[nH]1 ZINC000562653400 566810488 /nfs/dbraw/zinc/81/04/88/566810488.db2.gz SKXDQPKUHOERGL-UHFFFAOYSA-N 0 1 381.274 3.084 20 0 GGADMN COC(=O)C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000542534130 566810748 /nfs/dbraw/zinc/81/07/48/566810748.db2.gz YAIITXFWGMGWAA-WBVHZDCISA-N 0 1 397.313 3.077 20 0 GGADMN COC(=O)C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000542534128 566810776 /nfs/dbraw/zinc/81/07/76/566810776.db2.gz YAIITXFWGMGWAA-RDJZCZTQSA-N 0 1 397.313 3.077 20 0 GGADMN C[C@@]1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO[C@H]1C1CC1 ZINC000562675908 566811629 /nfs/dbraw/zinc/81/16/29/566811629.db2.gz YQGLKDRRSNQPAO-DOTOQJQBSA-N 0 1 393.285 3.082 20 0 GGADMN CNC(=O)[C@H](CCSC)N[C@H]1CCSc2ccc(Br)cc21 ZINC000489797905 566811651 /nfs/dbraw/zinc/81/16/51/566811651.db2.gz UUFMOUUWONFYJZ-STQMWFEESA-N 0 1 389.384 3.443 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H](CO)C1CCCCC1 ZINC000562675607 566811860 /nfs/dbraw/zinc/81/18/60/566811860.db2.gz OGYDKNSYHROAFV-AWEZNQCLSA-N 0 1 395.301 3.066 20 0 GGADMN CC(C)(NCCOc1cc(F)cc(Br)c1)c1nnc2n1CCCC2 ZINC000451407418 566812769 /nfs/dbraw/zinc/81/27/69/566812769.db2.gz WLBNPICULMLZFS-UHFFFAOYSA-N 0 1 397.292 3.420 20 0 GGADMN CNC(=O)[C@H](CCSC)N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000489830612 566812952 /nfs/dbraw/zinc/81/29/52/566812952.db2.gz YJQIAMBSXIHJHO-SJCJKPOMSA-N 0 1 380.945 3.352 20 0 GGADMN CSc1ccc(OC[C@@H](O)CN2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000562701140 566813435 /nfs/dbraw/zinc/81/34/35/566813435.db2.gz CFBRTZZCMMNGKH-ZFWWWQNUSA-N 0 1 379.444 3.192 20 0 GGADMN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000678718803 566813714 /nfs/dbraw/zinc/81/37/14/566813714.db2.gz AASJBMVJBWMGOT-UHFFFAOYSA-N 0 1 383.491 3.068 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000428063867 566814490 /nfs/dbraw/zinc/81/44/90/566814490.db2.gz ZGGTUVHEEGKDEI-RDJZCZTQSA-N 0 1 380.330 3.018 20 0 GGADMN C[C@H](C(=O)Nc1cccc(I)c1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000610216226 566815006 /nfs/dbraw/zinc/81/50/06/566815006.db2.gz GMAOKTFUBQRINZ-HONMWMINSA-N 0 1 384.261 3.206 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000581921342 566815099 /nfs/dbraw/zinc/81/50/99/566815099.db2.gz PMWJXJLVZUNFPG-UHFFFAOYSA-N 0 1 395.341 3.250 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000517246185 566815453 /nfs/dbraw/zinc/81/54/53/566815453.db2.gz NEQXLUPTTVRMFP-UHFFFAOYSA-N 0 1 392.297 3.483 20 0 GGADMN C[C@@]1(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CCOC1 ZINC000542618568 566815762 /nfs/dbraw/zinc/81/57/62/566815762.db2.gz DEZSFUJOGQITPM-MRXNPFEDSA-N 0 1 384.454 3.053 20 0 GGADMN FC(F)(F)[C@H](CN[C@@H]1CCc2ccc(Br)cc21)n1cncn1 ZINC000631689709 566816385 /nfs/dbraw/zinc/81/63/85/566816385.db2.gz DGQSGYKEJMDWQH-OLZOCXBDSA-N 0 1 375.192 3.421 20 0 GGADMN C[C@H](CO)N1CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000469821483 566816642 /nfs/dbraw/zinc/81/66/42/566816642.db2.gz UPDAQPWIQUOCRL-CQSZACIVSA-N 0 1 385.335 3.330 20 0 GGADMN CC[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)COC1CCOCC1 ZINC000517275203 566817536 /nfs/dbraw/zinc/81/75/36/566817536.db2.gz GAXBCLSGZQNFJZ-CVEARBPZSA-N 0 1 398.341 3.142 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(Br)cs1 ZINC000517286561 566817727 /nfs/dbraw/zinc/81/77/27/566817727.db2.gz DUJCKFVNWNWJIC-UHFFFAOYSA-N 0 1 381.230 3.365 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc(Br)cs1 ZINC000517286561 566817731 /nfs/dbraw/zinc/81/77/31/566817731.db2.gz DUJCKFVNWNWJIC-UHFFFAOYSA-N 0 1 381.230 3.365 20 0 GGADMN FC(F)(F)[C@@H](CN[C@H]1CCc2sc(Br)cc21)n1cncn1 ZINC000631694599 566818043 /nfs/dbraw/zinc/81/80/43/566818043.db2.gz YYUQZIJGVDFUBF-WCBMZHEXSA-N 0 1 381.221 3.483 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000581958841 566818270 /nfs/dbraw/zinc/81/82/70/566818270.db2.gz SJBWKNQZOHPYHL-UHFFFAOYSA-N 0 1 398.326 3.190 20 0 GGADMN COc1ccc([C@H](C)NCc2n[nH]c(C3CCOCC3)n2)cc1Br ZINC000631695336 566818582 /nfs/dbraw/zinc/81/85/82/566818582.db2.gz DUSQUAJOEFKHIM-NSHDSACASA-N 0 1 395.301 3.321 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@@H]1C ZINC000469835035 566818868 /nfs/dbraw/zinc/81/88/68/566818868.db2.gz SOUUUBGIFDGHMC-ABAIWWIYSA-N 0 1 379.254 3.488 20 0 GGADMN 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CCN(CC)[C@H](CNC(=O)N[C@H](CO)CC(F)F)c1ccccc1Cl ZINC000428664318 566866433 /nfs/dbraw/zinc/86/64/33/566866433.db2.gz BEJQMZRBTWWYQY-SWLSCSKDSA-N 0 1 377.863 3.038 20 0 GGADMN CC1(C)CCN(CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000582495709 566866728 /nfs/dbraw/zinc/86/67/28/566866728.db2.gz QZCYSXYGRJMBPA-HNNXBMFYSA-N 0 1 394.357 3.124 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000632253493 566867036 /nfs/dbraw/zinc/86/70/36/566867036.db2.gz UKLOSRAANJGJMV-UHFFFAOYSA-N 0 1 377.286 3.080 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000632253493 566867041 /nfs/dbraw/zinc/86/70/41/566867041.db2.gz UKLOSRAANJGJMV-UHFFFAOYSA-N 0 1 377.286 3.080 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@@H]2c2ccccc2Br)n[nH]1 ZINC000656046218 566867205 /nfs/dbraw/zinc/86/72/05/566867205.db2.gz OPARQOJNVPYFHP-CYBMUJFWSA-N 0 1 378.274 3.176 20 0 GGADMN CN1CCCC[C@H]1CC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000582492587 566867294 /nfs/dbraw/zinc/86/72/94/566867294.db2.gz 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Cc1cc(Br)ccc1NC(=O)CNCc1ccc2c(c1)OCCO2 ZINC000582537407 566872508 /nfs/dbraw/zinc/87/25/08/566872508.db2.gz NVMQMGDPMQTBGO-UHFFFAOYSA-N 0 1 391.265 3.257 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000490629565 566872546 /nfs/dbraw/zinc/87/25/46/566872546.db2.gz LMGTXNHMSZZNGI-ZDUSSCGKSA-N 0 1 399.329 3.290 20 0 GGADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NC(C1CC1)C1CC1 ZINC000582561427 566873779 /nfs/dbraw/zinc/87/37/79/566873779.db2.gz KXAKQJCLRAWTBN-KRWDZBQOSA-N 0 1 378.314 3.190 20 0 GGADMN CN(CCSc1cc(Cl)ccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428768192 566875158 /nfs/dbraw/zinc/87/51/58/566875158.db2.gz AJBJXIVOVLCJHV-GFCCVEGCSA-N 0 1 383.366 3.051 20 0 GGADMN C[C@H](C(=O)Nc1ncccn1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000518292129 566875110 /nfs/dbraw/zinc/87/51/10/566875110.db2.gz QSVDHAATLJIBCA-HIFRSBDPSA-N 0 1 389.297 3.131 20 0 GGADMN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1n[nH]c2ccccc21 ZINC000470457166 566875220 /nfs/dbraw/zinc/87/52/20/566875220.db2.gz 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ZINC000428777840 566876213 /nfs/dbraw/zinc/87/62/13/566876213.db2.gz HJBZVFGLYIANQV-KSSFIOAISA-N 0 1 391.309 3.119 20 0 GGADMN CC(C)(C)CN1CCC[C@H](N[C@@H](CO)c2ccc(Br)cc2)C1=O ZINC000428773963 566876259 /nfs/dbraw/zinc/87/62/59/566876259.db2.gz SRPYPKSDMCQSKO-HOTGVXAUSA-N 0 1 383.330 3.109 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000428782303 566877067 /nfs/dbraw/zinc/87/70/67/566877067.db2.gz KZVVDUFTWVJMFY-IAOVAPTHSA-N 0 1 383.330 3.252 20 0 GGADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543393100 566877193 /nfs/dbraw/zinc/87/71/93/566877193.db2.gz UUQRGZSVYPIOMQ-GFCCVEGCSA-N 0 1 395.750 3.254 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2S(=O)(=O)C[C@H]2CCC(F)(F)C2)n[nH]1 ZINC000632341630 566877599 /nfs/dbraw/zinc/87/75/99/566877599.db2.gz PVMAZVNUBUEWKT-STQMWFEESA-N 0 1 376.473 3.220 20 0 GGADMN CN1CCC[C@H]1C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000470478952 566877731 /nfs/dbraw/zinc/87/77/31/566877731.db2.gz ZKZNOAVIJZQKFN-KRWDZBQOSA-N 0 1 381.314 3.051 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000543411163 566878331 /nfs/dbraw/zinc/87/83/31/566878331.db2.gz JAQHIKJLKIDVAK-IAOVAPTHSA-N 0 1 384.314 3.067 20 0 GGADMN COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc(Br)c1OC(F)F ZINC000543410835 566878749 /nfs/dbraw/zinc/87/87/49/566878749.db2.gz DYNWYXQKCLBURQ-GMXVVIOVSA-N 0 1 392.240 3.262 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000543411166 566878871 /nfs/dbraw/zinc/87/88/71/566878871.db2.gz JAQHIKJLKIDVAK-RRQGHBQHSA-N 0 1 384.314 3.067 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NC1CCC(C)CC1 ZINC000428792610 566879109 /nfs/dbraw/zinc/87/91/09/566879109.db2.gz HWMKOAHJPNEOTM-FZLDSSPASA-N 0 1 383.330 3.156 20 0 GGADMN COc1ccccc1NC(=O)[C@@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000428795387 566879263 /nfs/dbraw/zinc/87/92/63/566879263.db2.gz WNWKTNMGKRNKLO-MLGOLLRUSA-N 0 1 393.281 3.108 20 0 GGADMN C[C@@H]1COCCN1C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000563366048 566879284 /nfs/dbraw/zinc/87/92/84/566879284.db2.gz WUWLZHDBQFDZMJ-CYBMUJFWSA-N 0 1 394.313 3.275 20 0 GGADMN COc1ccccc1NC(=O)[C@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000428795385 566879414 /nfs/dbraw/zinc/87/94/14/566879414.db2.gz WNWKTNMGKRNKLO-BLLLJJGKSA-N 0 1 393.281 3.108 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NC1CCC(C)CC1 ZINC000428792608 566879651 /nfs/dbraw/zinc/87/96/51/566879651.db2.gz HWMKOAHJPNEOTM-DCTKJOLLSA-N 0 1 383.330 3.156 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000428801765 566879873 /nfs/dbraw/zinc/87/98/73/566879873.db2.gz GAIHMXKAZLNBBR-DLTLXFJOSA-N 0 1 383.330 3.156 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000563370459 566880149 /nfs/dbraw/zinc/88/01/49/566880149.db2.gz VDSKRTBYHCRNHA-LLVKDONJSA-N 0 1 383.279 3.382 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1cn[nH]c1-c1ccccn1 ZINC000582635584 566880108 /nfs/dbraw/zinc/88/01/08/566880108.db2.gz ALEPHJRPPPYBPE-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(C)cc(I)c2)n[nH]1 ZINC000490834006 566880453 /nfs/dbraw/zinc/88/04/53/566880453.db2.gz JILUXSHIHMYISR-SECBINFHSA-N 0 1 399.236 3.163 20 0 GGADMN O=S1(=O)CCCC[C@H]1CN[C@@H]1CCc2c1cc(Br)cc2F ZINC000543425707 566880646 /nfs/dbraw/zinc/88/06/46/566880646.db2.gz DGRVNQBKCBQKDI-XHDPSFHLSA-N 0 1 376.291 3.132 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CN[C@H]1CCc2c1cc(Br)cc2F ZINC000543425700 566880659 /nfs/dbraw/zinc/88/06/59/566880659.db2.gz DGRVNQBKCBQKDI-ABAIWWIYSA-N 0 1 376.291 3.132 20 0 GGADMN C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](CO)CC(C)(C)C ZINC000451779312 566880766 /nfs/dbraw/zinc/88/07/66/566880766.db2.gz LJGKBBRQKMLDAX-LLVKDONJSA-N 0 1 393.272 3.395 20 0 GGADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H](CO)CC(C)(C)C ZINC000451779312 566880774 /nfs/dbraw/zinc/88/07/74/566880774.db2.gz LJGKBBRQKMLDAX-LLVKDONJSA-N 0 1 393.272 3.395 20 0 GGADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000632395534 566880957 /nfs/dbraw/zinc/88/09/57/566880957.db2.gz PEGOSMQMGJAGOP-SECBINFHSA-N 0 1 392.706 3.044 20 0 GGADMN Cc1cc(C[C@H](C)NS(=O)(=O)c2cccc(Cl)c2Br)n[nH]1 ZINC000632396034 566880999 /nfs/dbraw/zinc/88/09/99/566880999.db2.gz ZYEJRRQQGMDZQX-VIFPVBQESA-N 0 1 392.706 3.044 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000428802471 566881124 /nfs/dbraw/zinc/88/11/24/566881124.db2.gz JRWCCODSAPAXKK-IZOOLLGQSA-N 0 1 397.357 3.402 20 0 GGADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2Br)n[nH]1 ZINC000632395370 566881383 /nfs/dbraw/zinc/88/13/83/566881383.db2.gz MCJBKQRUUOJQGZ-SECBINFHSA-N 0 1 392.706 3.044 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000632408029 566881528 /nfs/dbraw/zinc/88/15/28/566881528.db2.gz PIGKJZGCKRZMAU-UHFFFAOYSA-N 0 1 381.325 3.107 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000470535435 566882126 /nfs/dbraw/zinc/88/21/26/566882126.db2.gz CJMRJYRGWHNDLI-ZJUUUORDSA-N 0 1 380.242 3.243 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cc(Cn2cccn2)on1 ZINC000490844950 566882228 /nfs/dbraw/zinc/88/22/28/566882228.db2.gz PJPDYVMARYJFCH-UHFFFAOYSA-N 0 1 397.616 3.293 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000490836635 566882662 /nfs/dbraw/zinc/88/26/62/566882662.db2.gz XYQIHIYVNYIZGD-NEPJUHHUSA-N 0 1 387.265 3.156 20 0 GGADMN COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000543447050 566882727 /nfs/dbraw/zinc/88/27/27/566882727.db2.gz QCXTWERWKMMNOC-UHFFFAOYSA-N 0 1 380.491 3.154 20 0 GGADMN CN(C)c1cccc(CNCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000582660551 566883145 /nfs/dbraw/zinc/88/31/45/566883145.db2.gz IIIGFJLPCMCUIF-UHFFFAOYSA-N 0 1 397.338 3.079 20 0 GGADMN Cc1ccncc1[C@@H](C)NCCS(=O)(=O)c1cccc(Br)c1 ZINC000679940187 566883266 /nfs/dbraw/zinc/88/32/66/566883266.db2.gz LTHSARPBZIOJHE-CYBMUJFWSA-N 0 1 383.311 3.277 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000632408547 566883574 /nfs/dbraw/zinc/88/35/74/566883574.db2.gz LBZPNPJCZCBXPJ-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN O=C(CCc1c[nH]nn1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000632444065 566884392 /nfs/dbraw/zinc/88/43/92/566884392.db2.gz MSYRXOYOLVHYFE-GFCCVEGCSA-N 0 1 391.191 3.310 20 0 GGADMN O=C(CCc1cnn[nH]1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000632444065 566884397 /nfs/dbraw/zinc/88/43/97/566884397.db2.gz MSYRXOYOLVHYFE-GFCCVEGCSA-N 0 1 391.191 3.310 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cc(Cl)cc2c1OCC2)c1ccsc1 ZINC000543468452 566884368 /nfs/dbraw/zinc/88/43/68/566884368.db2.gz CKMLCTFHPJWMNC-INIZCTEOSA-N 0 1 379.913 3.439 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)cc2c1OCC2)c1ccsc1 ZINC000543468454 566884504 /nfs/dbraw/zinc/88/45/04/566884504.db2.gz CKMLCTFHPJWMNC-MRXNPFEDSA-N 0 1 379.913 3.439 20 0 GGADMN Brc1csc2cnc(NCc3n[nH]c([C@@H]4CCCO4)n3)nc12 ZINC000656208743 566885037 /nfs/dbraw/zinc/88/50/37/566885037.db2.gz YINYMHXJZMTZMF-QMMMGPOBSA-N 0 1 381.259 3.036 20 0 GGADMN Fc1ccc(Br)c2nccc(NCc3n[nH]c([C@@H]4CCCO4)n3)c12 ZINC000656209320 566885193 /nfs/dbraw/zinc/88/51/93/566885193.db2.gz SJERGGRZPXTCJN-LBPRGKRZSA-N 0 1 392.232 3.140 20 0 GGADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000563454495 566886377 /nfs/dbraw/zinc/88/63/77/566886377.db2.gz LHZHIWUCIZHDOC-WFASDCNBSA-N 0 1 385.245 3.019 20 0 GGADMN C[C@@H](N[C@H](C)c1cncc(Br)c1)C(=O)NCCc1ccccc1 ZINC000563445083 566886399 /nfs/dbraw/zinc/88/63/99/566886399.db2.gz WTFKDOHUEYNOHY-ZIAGYGMSSA-N 0 1 376.298 3.242 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCC1(F)F)c1cc(F)c(Br)cc1F ZINC000451821331 566887218 /nfs/dbraw/zinc/88/72/18/566887218.db2.gz GPENDADLZWFWPM-ZETCQYMHSA-N 0 1 390.196 3.441 20 0 GGADMN C[C@]1(NCc2cn(-c3ccccc3Br)nn2)CCO[C@H]1C1CC1 ZINC000563482004 566887539 /nfs/dbraw/zinc/88/75/39/566887539.db2.gz GGJQTRGKVRGCCF-IRXDYDNUSA-N 0 1 377.286 3.077 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494301 566889093 /nfs/dbraw/zinc/88/90/93/566889093.db2.gz RNWDYHXSIJUMTH-HTQZYQBOSA-N 0 1 393.332 3.182 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@H](c2nccn2C)C1 ZINC000582733871 566889301 /nfs/dbraw/zinc/88/93/01/566889301.db2.gz NMTYPPJELXGXDU-AWEZNQCLSA-N 0 1 381.307 3.175 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@@H](c2nccn2C)C1 ZINC000582733872 566889586 /nfs/dbraw/zinc/88/95/86/566889586.db2.gz NMTYPPJELXGXDU-CQSZACIVSA-N 0 1 381.307 3.175 20 0 GGADMN CCN1CCN(C(=O)Nc2ccc(I)cc2C)C[C@@H]1C ZINC000611093306 566889570 /nfs/dbraw/zinc/88/95/70/566889570.db2.gz XEFOXXWLRWDDPV-LBPRGKRZSA-N 0 1 387.265 3.158 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(Br)c2O)c(C)c1 ZINC000518542754 566889534 /nfs/dbraw/zinc/88/95/34/566889534.db2.gz KCKKXKNWSVMPIW-UHFFFAOYSA-N 0 1 391.265 3.448 20 0 GGADMN C[C@@H](NC(=O)CN1CCC([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000680087436 566890189 /nfs/dbraw/zinc/89/01/89/566890189.db2.gz FIGHKKHCDUOTOA-RHSMWYFYSA-N 0 1 395.341 3.375 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn(-c3cccc(Br)c3)nc2C)[C@H]1OC ZINC000656255949 566890989 /nfs/dbraw/zinc/89/09/89/566890989.db2.gz NVBXFBQJAJVOET-RCCFBDPRSA-N 0 1 394.313 3.225 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn(-c3ccccc3Br)nc2C)[C@@H]1OC ZINC000656255636 566891054 /nfs/dbraw/zinc/89/10/54/566891054.db2.gz LHJHRMLMVSRLMR-JQHSSLGASA-N 0 1 394.313 3.225 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)c1nc2c(s1)CCC2 ZINC000563517215 566891600 /nfs/dbraw/zinc/89/16/00/566891600.db2.gz JMCOLZQOVLHDIU-UHFFFAOYSA-N 0 1 377.267 3.201 20 0 GGADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000518574167 566891824 /nfs/dbraw/zinc/89/18/24/566891824.db2.gz RHAPVNVUBNGTEF-AWEZNQCLSA-N 0 1 375.266 3.159 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Br)c2O)C1 ZINC000518572265 566891928 /nfs/dbraw/zinc/89/19/28/566891928.db2.gz CVUDDOWMSKBTBW-OLZOCXBDSA-N 0 1 397.313 3.312 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN1CC([C@H]2CCOC2)C1 ZINC000656258158 566892193 /nfs/dbraw/zinc/89/21/93/566892193.db2.gz OZMVGTUDZPUEAC-AWEZNQCLSA-N 0 1 376.298 3.412 20 0 GGADMN CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000491076991 566892381 /nfs/dbraw/zinc/89/23/81/566892381.db2.gz QAAOEHPMECIYDT-UHFFFAOYSA-N 0 1 399.329 3.118 20 0 GGADMN CN(Cc1coc(-c2ccc(I)cc2)n1)C(C)(C)CO ZINC000611135865 566892591 /nfs/dbraw/zinc/89/25/91/566892591.db2.gz LYYZRZHFXJSKDD-UHFFFAOYSA-N 0 1 386.233 3.149 20 0 GGADMN O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000582794318 566895626 /nfs/dbraw/zinc/89/56/26/566895626.db2.gz JFYKBILETSXBFN-NVXWUHKLSA-N 0 1 377.282 3.073 20 0 GGADMN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1oc2ccccc2c1Br ZINC000656262430 566895881 /nfs/dbraw/zinc/89/58/81/566895881.db2.gz VDYKXBJOQPTEAP-ZIAGYGMSSA-N 0 1 379.298 3.490 20 0 GGADMN Cc1cc(Br)cn2c(CN[C@@]3(CO)CCc4ccccc43)cnc12 ZINC000680132759 566896332 /nfs/dbraw/zinc/89/63/32/566896332.db2.gz VJIFHFDKQTWXDM-LJQANCHMSA-N 0 1 386.293 3.329 20 0 GGADMN CSC1(CN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000518629577 566896321 /nfs/dbraw/zinc/89/63/21/566896321.db2.gz MGXGHMQXGRXAKR-UHFFFAOYSA-N 0 1 395.015 3.384 20 0 GGADMN Cc1nc2ccccn2c1CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428996321 566896823 /nfs/dbraw/zinc/89/68/23/566896823.db2.gz PKYWFYJTWRPIRH-HNNXBMFYSA-N 0 1 378.245 3.368 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCc3c[nH]nn3)CC2)ccc1Br ZINC000632592215 566897442 /nfs/dbraw/zinc/89/74/42/566897442.db2.gz RIXAVXRTAYRDNH-UHFFFAOYSA-N 0 1 377.286 3.214 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCc3cnn[nH]3)CC2)ccc1Br ZINC000632592215 566897446 /nfs/dbraw/zinc/89/74/46/566897446.db2.gz RIXAVXRTAYRDNH-UHFFFAOYSA-N 0 1 377.286 3.214 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCN(C)C(C)(C)C1 ZINC000582836332 566898184 /nfs/dbraw/zinc/89/81/84/566898184.db2.gz AOOOIUZLEBWQKL-UHFFFAOYSA-N 0 1 378.314 3.334 20 0 GGADMN Cc1nnc(SCC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000470725551 566898704 /nfs/dbraw/zinc/89/87/04/566898704.db2.gz ZKOBOJXAINWORA-VIFPVBQESA-N 0 1 389.308 3.438 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000470725551 566898710 /nfs/dbraw/zinc/89/87/10/566898710.db2.gz ZKOBOJXAINWORA-VIFPVBQESA-N 0 1 389.308 3.438 20 0 GGADMN O=[S@](CCN[C@@H](CO)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000429012309 566898802 /nfs/dbraw/zinc/89/88/02/566898802.db2.gz UAVGORXHDHMTCY-KSFYIVLOSA-N 0 1 386.286 3.019 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429013987 566898907 /nfs/dbraw/zinc/89/89/07/566898907.db2.gz VWUHXCQFRCCHNR-INIZCTEOSA-N 0 1 382.229 3.198 20 0 GGADMN Cc1nnc(SCC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000470725550 566899152 /nfs/dbraw/zinc/89/91/52/566899152.db2.gz ZKOBOJXAINWORA-SECBINFHSA-N 0 1 389.308 3.438 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000470725550 566899159 /nfs/dbraw/zinc/89/91/59/566899159.db2.gz ZKOBOJXAINWORA-SECBINFHSA-N 0 1 389.308 3.438 20 0 GGADMN COC(=O)c1cccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429021808 566900064 /nfs/dbraw/zinc/90/00/64/566900064.db2.gz QNENIKCULMPNOD-INIZCTEOSA-N 0 1 382.229 3.198 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)CSc1nnc(C)[nH]1 ZINC000470746241 566900028 /nfs/dbraw/zinc/90/00/28/566900028.db2.gz WIIQRFJODWBXMY-LBPRGKRZSA-N 0 1 383.315 3.105 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)CSc1nc(C)n[nH]1 ZINC000470746241 566900038 /nfs/dbraw/zinc/90/00/38/566900038.db2.gz WIIQRFJODWBXMY-LBPRGKRZSA-N 0 1 383.315 3.105 20 0 GGADMN O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000543683299 566900931 /nfs/dbraw/zinc/90/09/31/566900931.db2.gz IGJWHIUZQOUZCD-LLVKDONJSA-N 0 1 387.221 3.244 20 0 GGADMN Cc1c([C@@H](C)NCC2(CO)CCC2)nnn1-c1cccc(Br)c1 ZINC000680354807 566901685 /nfs/dbraw/zinc/90/16/85/566901685.db2.gz MWMHJXNDGAJJHQ-GFCCVEGCSA-N 0 1 379.302 3.151 20 0 GGADMN C[C@H]1CSCCN1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000582872929 566901677 /nfs/dbraw/zinc/90/16/77/566901677.db2.gz JTMOAHAEQSOINC-JQWIXIFHSA-N 0 1 380.735 3.280 20 0 GGADMN O=C1[C@@H](NCc2ccc(F)c(Br)c2)CCN1Cc1ccccc1 ZINC000518785941 566901854 /nfs/dbraw/zinc/90/18/54/566901854.db2.gz DQUPSNDOYXCONC-KRWDZBQOSA-N 0 1 377.257 3.479 20 0 GGADMN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451899018 566902752 /nfs/dbraw/zinc/90/27/52/566902752.db2.gz YLEHZEYETQBBST-UHFFFAOYSA-N 0 1 399.301 3.126 20 0 GGADMN Cc1c([C@H](C)NCC2(CO)CCC2)nnn1-c1cccc(Br)c1 ZINC000680354810 566902843 /nfs/dbraw/zinc/90/28/43/566902843.db2.gz MWMHJXNDGAJJHQ-LBPRGKRZSA-N 0 1 379.302 3.151 20 0 GGADMN COc1cccc(CN(CCN(C)C)C(=O)C(=O)c2ccc(Cl)s2)c1 ZINC000429027224 566903232 /nfs/dbraw/zinc/90/32/32/566903232.db2.gz KQPCWXMIHMNDBS-UHFFFAOYSA-N 0 1 380.897 3.183 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1c2cc(Br)ccc2SC[C@H]1C)c1nnc[nH]1 ZINC000543706545 566903954 /nfs/dbraw/zinc/90/39/54/566903954.db2.gz RHYUPPQWZGTWSZ-ZDMBXUJBSA-N 0 1 396.314 3.411 20 0 GGADMN C[C@H](NC(=O)N[C@H]1c2cc(Br)ccc2SC[C@H]1C)c1nnc[nH]1 ZINC000543706544 566904500 /nfs/dbraw/zinc/90/45/00/566904500.db2.gz RHYUPPQWZGTWSZ-VYUIOLGVSA-N 0 1 396.314 3.411 20 0 GGADMN O=C1[C@H](N2CCOC[C@H](C3CCC3)C2)CCN1c1cccc(Br)c1 ZINC000429039000 566904442 /nfs/dbraw/zinc/90/44/42/566904442.db2.gz YJKXMSYIBPEHEH-CRAIPNDOSA-N 0 1 393.325 3.303 20 0 GGADMN C[C@@](CO)(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000451903836 566904796 /nfs/dbraw/zinc/90/47/96/566904796.db2.gz FJKMZBWGVJTPGQ-HIFRSBDPSA-N 0 1 399.240 3.344 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000563673350 566905265 /nfs/dbraw/zinc/90/52/65/566905265.db2.gz GHZHSJLYQNYVBG-CQSZACIVSA-N 0 1 378.314 3.496 20 0 GGADMN O=[S@@](CCN1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000518839826 566906121 /nfs/dbraw/zinc/90/61/21/566906121.db2.gz VJZVVEATGFUXRH-QFIPXVFZSA-N 0 1 382.327 3.090 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1F)NC[C@@H](c1cccs1)N1CCCC1 ZINC000543726237 566906163 /nfs/dbraw/zinc/90/61/63/566906163.db2.gz ZUZWSTWHMOVTPS-INIZCTEOSA-N 0 1 386.489 3.283 20 0 GGADMN CN(Cc1csc(Br)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470806139 566906917 /nfs/dbraw/zinc/90/69/17/566906917.db2.gz JZDLFGOIDCXZDG-KBPBESRZSA-N 0 1 399.333 3.345 20 0 GGADMN CC(C)CCCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000429054049 566906947 /nfs/dbraw/zinc/90/69/47/566906947.db2.gz HHHQFWZELJVOGA-UHFFFAOYSA-N 0 1 382.346 3.441 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccncc1Br)c1ccc(Cl)cc1 ZINC000543740839 566907217 /nfs/dbraw/zinc/90/72/17/566907217.db2.gz HETLZKJPRZBOOL-OAHLLOKOSA-N 0 1 397.704 3.344 20 0 GGADMN CCCCOCCN(C(=O)CCc1nc[nH]n1)c1ccc(Br)cc1 ZINC000429088215 566907842 /nfs/dbraw/zinc/90/78/42/566907842.db2.gz QIWQWKYWUYIXCL-UHFFFAOYSA-N 0 1 395.301 3.350 20 0 GGADMN Cc1ncc2c(n1)CCN(C(=O)c1n[nH]c(-c3ccccc3)c1Br)C2 ZINC000518894828 566908394 /nfs/dbraw/zinc/90/83/94/566908394.db2.gz GXHYQJNETLBEKW-UHFFFAOYSA-N 0 1 398.264 3.136 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N2CCOc3ncc(Br)cc32)o1 ZINC000680420965 566908731 /nfs/dbraw/zinc/90/87/31/566908731.db2.gz LMHQZOJWJOTILG-UHFFFAOYSA-N 0 1 394.269 3.318 20 0 GGADMN O=C1CCC(=O)N1CCN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680432393 566908814 /nfs/dbraw/zinc/90/88/14/566908814.db2.gz FAVZMOCZZNFWKA-LBPRGKRZSA-N 0 1 393.203 3.181 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1 ZINC000491572809 566909220 /nfs/dbraw/zinc/90/92/20/566909220.db2.gz PCABCSMVJAARJA-UHFFFAOYSA-N 0 1 379.196 3.115 20 0 GGADMN C[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CCC1 ZINC000611306429 566909349 /nfs/dbraw/zinc/90/93/49/566909349.db2.gz IYGAWHUXBNMXQP-VIFPVBQESA-N 0 1 396.228 3.051 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000491593731 566911893 /nfs/dbraw/zinc/91/18/93/566911893.db2.gz IYGCZVITVWEKDL-YMTOWFKASA-N 0 1 382.835 3.120 20 0 GGADMN CCCC(O)(CCC)CNCc1cn(-c2ccccc2Br)nn1 ZINC000582994142 566912244 /nfs/dbraw/zinc/91/22/44/566912244.db2.gz MYGCZJVAEVXHDE-UHFFFAOYSA-N 0 1 381.318 3.451 20 0 GGADMN Cc1nn(C)c2sc([C@@H](C)NCc3cc(S(C)(=O)=O)ccc3F)cc12 ZINC000563737452 566913584 /nfs/dbraw/zinc/91/35/84/566913584.db2.gz FZWRLNXVXDWSPK-LLVKDONJSA-N 0 1 381.498 3.337 20 0 GGADMN C[C@@H](NC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C)c1nnc[nH]1 ZINC000583000860 566913780 /nfs/dbraw/zinc/91/37/80/566913780.db2.gz YTEZXEVRBDEHTF-RNCFNFMXSA-N 0 1 378.274 3.251 20 0 GGADMN Cc1ccccc1[C@@H](CO)NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000543839152 566914038 /nfs/dbraw/zinc/91/40/38/566914038.db2.gz JOEMGMOVHHUBIT-OAHLLOKOSA-N 0 1 399.235 3.297 20 0 GGADMN CC1CCC(N(C)C(=O)CN[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000543838369 566914235 /nfs/dbraw/zinc/91/42/35/566914235.db2.gz FKRAGMCTSQSUEZ-QWFMPGPPSA-N 0 1 383.330 3.109 20 0 GGADMN COc1cc(Br)c(Cl)cc1C(=O)N1CCN(CC2CC2)CC1 ZINC000583026577 566914570 /nfs/dbraw/zinc/91/45/70/566914570.db2.gz GYJWIFVAXORTPG-UHFFFAOYSA-N 0 1 387.705 3.279 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNCc2cc(C)ccc2Br)c1 ZINC000583020117 566914974 /nfs/dbraw/zinc/91/49/74/566914974.db2.gz NHKFIBCDCDWUON-QGZVFWFLSA-N 0 1 392.293 3.490 20 0 GGADMN O=C(NCCN1CCC1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680521140 566915098 /nfs/dbraw/zinc/91/50/98/566915098.db2.gz XJRQFZQGSOGIAB-CYBMUJFWSA-N 0 1 394.235 3.448 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000518992837 566915118 /nfs/dbraw/zinc/91/51/18/566915118.db2.gz FYSMMFHGJGUJRU-GJZGRUSLSA-N 0 1 390.285 3.491 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1cccs1 ZINC000656541479 566915747 /nfs/dbraw/zinc/91/57/47/566915747.db2.gz LWUVVXZSHFLGNO-CJNGLKHVSA-N 0 1 381.567 3.471 20 0 GGADMN COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccc(F)cn2)cc1Cl ZINC000563767886 566916039 /nfs/dbraw/zinc/91/60/39/566916039.db2.gz ZXHWESCDYYLOJR-UHFFFAOYSA-N 0 1 395.239 3.354 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000543840621 566916685 /nfs/dbraw/zinc/91/66/85/566916685.db2.gz VKWRVHKQEJREOZ-QGZVFWFLSA-N 0 1 385.346 3.213 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)CCC1=O ZINC000491826315 566916980 /nfs/dbraw/zinc/91/69/80/566916980.db2.gz XYEKUBPVHQVDAS-ZBFHGGJFSA-N 0 1 395.341 3.345 20 0 GGADMN C[C@@H]1CN(Cc2ncc(Br)cc2Br)C[C@H](C)N1C ZINC000583040357 566917454 /nfs/dbraw/zinc/91/74/54/566917454.db2.gz BIKOQHYJGRGOSA-AOOOYVTPSA-N 0 1 377.124 3.131 20 0 GGADMN COc1cc(Br)ccc1CCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000543858997 566917659 /nfs/dbraw/zinc/91/76/59/566917659.db2.gz XDGLBNIWQBJLNV-MRXNPFEDSA-N 0 1 383.330 3.189 20 0 GGADMN Cc1cc(Br)c(CNCc2ccnc(N3CCOCC3)c2)s1 ZINC000563795897 566917714 /nfs/dbraw/zinc/91/77/14/566917714.db2.gz WZLCPLWFVMNQDN-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN COc1ccc([C@H](NC[C@@H](C)S(C)(=O)=O)C(C)C)c(Br)c1 ZINC000563802744 566918548 /nfs/dbraw/zinc/91/85/48/566918548.db2.gz XEVXIMFGYUSNSS-IAQYHMDHSA-N 0 1 378.332 3.178 20 0 GGADMN CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000611444395 566918825 /nfs/dbraw/zinc/91/88/25/566918825.db2.gz RLJMMDVUVJRZKQ-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN COc1cc2nccc(NCc3nnc(C4CC4)n3C)c2cc1Br ZINC000583080629 566919643 /nfs/dbraw/zinc/91/96/43/566919643.db2.gz DCVPTUMDZOEIBD-UHFFFAOYSA-N 0 1 388.269 3.046 20 0 GGADMN CC(=O)[C@@H](NC(=O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C)C(C)C ZINC000429295909 566920532 /nfs/dbraw/zinc/92/05/32/566920532.db2.gz VPHKHDQVHCCJFL-ZWKOTPCHSA-N 0 1 395.341 3.392 20 0 GGADMN COc1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1OC ZINC000492025548 566920863 /nfs/dbraw/zinc/92/08/63/566920863.db2.gz UPKRJHLFWKMCRQ-OAHLLOKOSA-N 0 1 384.245 3.429 20 0 GGADMN CCO[C@@H]1CCC[C@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000452009194 566920964 /nfs/dbraw/zinc/92/09/64/566920964.db2.gz AWWUWSAAWGHHMI-IAGOWNOFSA-N 0 1 380.535 3.261 20 0 GGADMN O=S1(=O)C[C@H](N[C@H]2CCc3cc(Br)ccc3C2)c2ccccc21 ZINC000583111164 566921412 /nfs/dbraw/zinc/92/14/12/566921412.db2.gz KDXUKDVSPLHEGJ-RDJZCZTQSA-N 0 1 392.318 3.425 20 0 GGADMN CCc1sc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000563825223 566922013 /nfs/dbraw/zinc/92/20/13/566922013.db2.gz OJAOHHFAKPIPBA-TXEJJXNPSA-N 0 1 389.359 3.302 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2c3ccccc3O[C@@H]2C)sc1Br ZINC000519128445 566922113 /nfs/dbraw/zinc/92/21/13/566922113.db2.gz SYCATKRDCUMZAA-KCJUWKMLSA-N 0 1 389.296 3.015 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)NCCCCN1CCOCC1 ZINC000543934010 566923779 /nfs/dbraw/zinc/92/37/79/566923779.db2.gz CWSLTRQPYFRQAB-UHFFFAOYSA-N 0 1 395.297 3.346 20 0 GGADMN O[C@H](CN[C@@H]1CCOc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000583138916 566923986 /nfs/dbraw/zinc/92/39/86/566923986.db2.gz OQSHRLUUXBTIQI-RHSMWYFYSA-N 0 1 396.256 3.441 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2O)c(C)c1F ZINC000543950502 566924308 /nfs/dbraw/zinc/92/43/08/566924308.db2.gz RLNOCMMSUCYSIH-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN COc1ccc(OC(F)F)c(NS(=O)(=O)CCc2ccccc2F)c1 ZINC000656619261 566924553 /nfs/dbraw/zinc/92/45/53/566924553.db2.gz QBHQFXWWBLZEQJ-UHFFFAOYSA-N 0 1 375.368 3.420 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1nnc(C(C)C)s1 ZINC000492106579 566924956 /nfs/dbraw/zinc/92/49/56/566924956.db2.gz OBTVPEULVHEQDB-UHFFFAOYSA-N 0 1 387.958 3.441 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC(CCCO)CC1 ZINC000543952125 566925212 /nfs/dbraw/zinc/92/52/12/566925212.db2.gz UHHHJFHWQTWCHQ-UHFFFAOYSA-N 0 1 392.297 3.464 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@@H](c2nccn2C)C1 ZINC000519176759 566925615 /nfs/dbraw/zinc/92/56/15/566925615.db2.gz IJXFAXSAVKZEGS-CQSZACIVSA-N 0 1 381.307 3.175 20 0 GGADMN C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)cn1 ZINC000583178964 566926945 /nfs/dbraw/zinc/92/69/45/566926945.db2.gz WHGCUJCJQRBJAS-KSSFIOAISA-N 0 1 390.325 3.262 20 0 GGADMN Cc1cccc2nc(CNC(=O)[C@H]3Cc4cc(Br)ccc4O3)[nH]c21 ZINC000471084900 566927604 /nfs/dbraw/zinc/92/76/04/566927604.db2.gz IZYZGFJTQRZHSD-OAHLLOKOSA-N 0 1 386.249 3.254 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1c(O)ccc(Br)c1C)C1CCCC1 ZINC000656631921 566927975 /nfs/dbraw/zinc/92/79/75/566927975.db2.gz RDBSHONSNQCMOG-CQSZACIVSA-N 0 1 392.315 3.410 20 0 GGADMN COc1nc(N2CCN([C@H](C)Cc3ccsc3)CC2)ncc1Br ZINC000544013701 566928171 /nfs/dbraw/zinc/92/81/71/566928171.db2.gz GMIBUCAUPRGQOA-GFCCVEGCSA-N 0 1 397.342 3.062 20 0 GGADMN Cc1cc(NS(=O)(=O)CCc2ccccc2Cl)nn1CC(F)(F)F ZINC000656631238 566928391 /nfs/dbraw/zinc/92/83/91/566928391.db2.gz IMSURCNHFQIJBW-UHFFFAOYSA-N 0 1 381.807 3.392 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3CCN(C)[C@@H](C(C)C)C3)cc21 ZINC000583179637 566928802 /nfs/dbraw/zinc/92/88/02/566928802.db2.gz HTSKSKALDCDMPD-OAHLLOKOSA-N 0 1 394.313 3.351 20 0 GGADMN CC(=O)[C@@H](NC(=O)CN[C@@H]1c2cccc(Br)c2CC1(C)C)C(C)C ZINC000429411095 566929026 /nfs/dbraw/zinc/92/90/26/566929026.db2.gz SSKKOJSDVRGLIH-ZWKOTPCHSA-N 0 1 395.341 3.392 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C[C@H](C)N1 ZINC000429414999 566929176 /nfs/dbraw/zinc/92/91/76/566929176.db2.gz CQKBXMJIFDJRPP-QWRGUYRKSA-N 0 1 381.263 3.398 20 0 GGADMN COc1nc(N2CCN([C@@H](C)Cc3ccsc3)CC2)ncc1Br ZINC000544013702 566929974 /nfs/dbraw/zinc/92/99/74/566929974.db2.gz GMIBUCAUPRGQOA-LBPRGKRZSA-N 0 1 397.342 3.062 20 0 GGADMN CCCN(Cc1ccccc1Br)C(=O)[C@H](C)CN1CCOCC1 ZINC000544027017 566929995 /nfs/dbraw/zinc/92/99/95/566929995.db2.gz SSIRQJLKRSOPRL-OAHLLOKOSA-N 0 1 383.330 3.156 20 0 GGADMN Cc1nc2scc(C3CC3)n2c1CNCc1cccc(S(C)(=O)=O)c1 ZINC000656635585 566930225 /nfs/dbraw/zinc/93/02/25/566930225.db2.gz LIFCAIPJUFMANJ-UHFFFAOYSA-N 0 1 375.519 3.275 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCC2(O)CCC2)c2ccc(Cl)cc2)c1 ZINC000492273073 566930258 /nfs/dbraw/zinc/93/02/58/566930258.db2.gz SUPRHOPTDODGJF-SFHVURJKSA-N 0 1 379.909 3.338 20 0 GGADMN CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C2CC2)CC1 ZINC000583209675 566930954 /nfs/dbraw/zinc/93/09/54/566930954.db2.gz CTNZLXFVLHJKQZ-UHFFFAOYSA-N 0 1 382.331 3.246 20 0 GGADMN Cc1cc(NC(=O)c2nc(Cc3ccc(Br)cc3C)no2)no1 ZINC000680784715 566931213 /nfs/dbraw/zinc/93/12/13/566931213.db2.gz UIPOJUBOBUOVRD-UHFFFAOYSA-N 0 1 377.198 3.280 20 0 GGADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000563943782 566931365 /nfs/dbraw/zinc/93/13/65/566931365.db2.gz CCINMHJGTXVDFE-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN CN(CCC(F)(F)F)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000452080912 566931440 /nfs/dbraw/zinc/93/14/40/566931440.db2.gz HTJQHIUYQLMZFN-UHFFFAOYSA-N 0 1 379.180 3.419 20 0 GGADMN OC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(Br)c(F)c1 ZINC000492313977 566931427 /nfs/dbraw/zinc/93/14/27/566931427.db2.gz QRYBDYYSIRSSLM-OAHLLOKOSA-N 0 1 382.229 3.183 20 0 GGADMN C[C@@H]1CC[N@@H+](C)CCN1Cc1c(Br)cncc1Br ZINC000583235490 566931687 /nfs/dbraw/zinc/93/16/87/566931687.db2.gz HANIKJUYNATNQB-SNVBAGLBSA-N 0 1 377.124 3.133 20 0 GGADMN O=C(c1[nH]nc2ccc(I)cc21)N1CC[C@@H](CC2CC2)C1 ZINC000583223046 566931791 /nfs/dbraw/zinc/93/17/91/566931791.db2.gz AWQOQIJHGGUFSR-NSHDSACASA-N 0 1 395.244 3.430 20 0 GGADMN CC(C)Sc1ccccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000471135272 566931863 /nfs/dbraw/zinc/93/18/63/566931863.db2.gz BHKMUZWWQVJTFT-UHFFFAOYSA-N 0 1 385.532 3.391 20 0 GGADMN CC(C)Sc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000471138351 566931935 /nfs/dbraw/zinc/93/19/35/566931935.db2.gz YDPRGRBUILIORJ-UHFFFAOYSA-N 0 1 385.532 3.391 20 0 GGADMN O=C(CCNC(=O)[C@H]1CCCc2[nH]cnc21)Nc1cc(Cl)cc(Cl)c1 ZINC000583224527 566932081 /nfs/dbraw/zinc/93/20/81/566932081.db2.gz SOSRDFGNOTWMSO-ZDUSSCGKSA-N 0 1 381.263 3.281 20 0 GGADMN O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(Br)c1O ZINC000519312021 566932105 /nfs/dbraw/zinc/93/21/05/566932105.db2.gz VQTWSXJWPJNDPZ-UHFFFAOYSA-N 0 1 386.249 3.330 20 0 GGADMN C[C@H](NCCNC(=O)c1ccc(Br)cn1)c1cc(F)ccc1F ZINC000656679607 566932431 /nfs/dbraw/zinc/93/24/31/566932431.db2.gz PXOPOCFCTSWOHX-JTQLQIEISA-N 0 1 384.224 3.203 20 0 GGADMN CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccc(Br)c1O ZINC000519331797 566932877 /nfs/dbraw/zinc/93/28/77/566932877.db2.gz COEMEYSIUWKDPB-UHFFFAOYSA-N 0 1 392.175 3.186 20 0 GGADMN Cc1cc(C)c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1O ZINC000680809504 566932928 /nfs/dbraw/zinc/93/29/28/566932928.db2.gz HAIDXBBGCFUEQQ-UHFFFAOYSA-N 0 1 376.356 3.146 20 0 GGADMN O=C(NCCN[C@H]1CCc2c1c(F)ccc2F)c1ccc(Br)cn1 ZINC000656680285 566933321 /nfs/dbraw/zinc/93/33/21/566933321.db2.gz VZCAJDBYUAVCTF-AWEZNQCLSA-N 0 1 396.235 3.129 20 0 GGADMN C[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cncc(Br)c1 ZINC000583274477 566935492 /nfs/dbraw/zinc/93/54/92/566935492.db2.gz DAAHXRPXDXBAOR-SUMWQHHRSA-N 0 1 389.297 3.081 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000471193119 566936204 /nfs/dbraw/zinc/93/62/04/566936204.db2.gz DHUJBLMTECPNIG-HNNXBMFYSA-N 0 1 388.737 3.313 20 0 GGADMN COc1coc(CSc2nc(-c3ccccc3Br)n[nH]2)cc1=O ZINC000471191824 566936322 /nfs/dbraw/zinc/93/63/22/566936322.db2.gz QHBCOBIJLIYDER-UHFFFAOYSA-N 0 1 394.250 3.488 20 0 GGADMN Cc1nc2c(n1C[C@@H](O)COc1cc(F)cc(Br)c1)CCCC2 ZINC000656703034 566936495 /nfs/dbraw/zinc/93/64/95/566936495.db2.gz JTFGXGFTEKCIBU-CQSZACIVSA-N 0 1 383.261 3.412 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000471196959 566936584 /nfs/dbraw/zinc/93/65/84/566936584.db2.gz YNJBEADIKRGDPK-GFCCVEGCSA-N 0 1 385.331 3.333 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2cnc(C3CCC3)s2)cc1 ZINC000680853568 566936661 /nfs/dbraw/zinc/93/66/61/566936661.db2.gz LTKTXVAUFQZQSQ-UHFFFAOYSA-N 0 1 377.535 3.240 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2c(C)cccc2Br)CCN1CCOC ZINC000564015088 566937455 /nfs/dbraw/zinc/93/74/55/566937455.db2.gz XIMDRWIRHMTJSO-OAHLLOKOSA-N 0 1 383.330 3.330 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1Cl ZINC000452106561 566937436 /nfs/dbraw/zinc/93/74/36/566937436.db2.gz QHMDUNBKFZHATK-NSHDSACASA-N 0 1 381.325 3.105 20 0 GGADMN O=C(NC[C@H](CO)c1ccccc1Cl)c1cccc(Br)c1O ZINC000564026287 566937665 /nfs/dbraw/zinc/93/76/65/566937665.db2.gz FCMFFWSMTPZEFX-SNVBAGLBSA-N 0 1 384.657 3.314 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000544097858 566937803 /nfs/dbraw/zinc/93/78/03/566937803.db2.gz YVHADQRTKFVSOS-UHFFFAOYSA-N 0 1 391.392 3.413 20 0 GGADMN O[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1cccc(Br)c1 ZINC000519410979 566938079 /nfs/dbraw/zinc/93/80/79/566938079.db2.gz KPKYIIPPGOCFSS-KSZLIROESA-N 0 1 384.314 3.143 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(Br)c(C)n1)C1CCCC1 ZINC000656727036 566938566 /nfs/dbraw/zinc/93/85/66/566938566.db2.gz FDTLPIIDZUKALV-CYBMUJFWSA-N 0 1 377.304 3.099 20 0 GGADMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000583315527 566938725 /nfs/dbraw/zinc/93/87/25/566938725.db2.gz GYCIUBAMLDZJGZ-AWEZNQCLSA-N 0 1 385.942 3.178 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000544101082 566939102 /nfs/dbraw/zinc/93/91/02/566939102.db2.gz HTGUYUOULFBGFG-AWEZNQCLSA-N 0 1 392.235 3.325 20 0 GGADMN Cc1nc([C@H](C)NC(=O)CCCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000519446129 566939811 /nfs/dbraw/zinc/93/98/11/566939811.db2.gz VNHFHPKDZHSADW-JTQLQIEISA-N 0 1 379.258 3.106 20 0 GGADMN Clc1cnc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000680892269 566940309 /nfs/dbraw/zinc/94/03/09/566940309.db2.gz QBKDVDTYUKJROP-OAHLLOKOSA-N 0 1 377.945 3.230 20 0 GGADMN CC1CCC(O)(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])CC1 ZINC000583328096 566940451 /nfs/dbraw/zinc/94/04/51/566940451.db2.gz SXXXECJITZVQEX-OKZIQPOMSA-N 0 1 382.298 3.202 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ncc(Br)cc1C)C1CCCCC1 ZINC000656730771 566941536 /nfs/dbraw/zinc/94/15/36/566941536.db2.gz JPBQOQMFGFYERI-CQSZACIVSA-N 0 1 391.331 3.490 20 0 GGADMN CCc1ccc(C(=O)N=c2ncn(Cc3ccc(Br)cc3)[nH]2)cc1 ZINC000492955394 566941577 /nfs/dbraw/zinc/94/15/77/566941577.db2.gz SOAROVMURBQURY-UHFFFAOYSA-N 0 1 385.265 3.326 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)NCC1(N2CCSCC2)CCCC1 ZINC000564074092 566941675 /nfs/dbraw/zinc/94/16/75/566941675.db2.gz XABRJHGRUMWJRM-UHFFFAOYSA-N 0 1 388.986 3.121 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000544125324 566942127 /nfs/dbraw/zinc/94/21/27/566942127.db2.gz HGBOPQDLJRBCAR-VXGBXAGGSA-N 0 1 375.296 3.444 20 0 GGADMN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)c(OC)c1 ZINC000519517065 566942719 /nfs/dbraw/zinc/94/27/19/566942719.db2.gz RGBMHBIHMCKVRK-INIZCTEOSA-N 0 1 380.238 3.382 20 0 GGADMN O=C(CCc1c[nH]nn1)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000633207831 566943128 /nfs/dbraw/zinc/94/31/28/566943128.db2.gz PGHTXEZLZOODHC-UHFFFAOYSA-N 0 1 383.677 3.001 20 0 GGADMN O=C(CCc1cnn[nH]1)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000633207831 566943137 /nfs/dbraw/zinc/94/31/37/566943137.db2.gz PGHTXEZLZOODHC-UHFFFAOYSA-N 0 1 383.677 3.001 20 0 GGADMN Cc1cc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(Br)s1 ZINC000471283439 566943595 /nfs/dbraw/zinc/94/35/95/566943595.db2.gz POXKASJCYSUJCB-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cc(C(N)=O)sc2C)cc1Cl ZINC000680968590 566943253 /nfs/dbraw/zinc/94/32/53/566943253.db2.gz KPKYGVPJLNGQTI-UHFFFAOYSA-N 0 1 376.912 3.332 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)c(OC)c1 ZINC000519517066 566943384 /nfs/dbraw/zinc/94/33/84/566943384.db2.gz RGBMHBIHMCKVRK-MRXNPFEDSA-N 0 1 380.238 3.382 20 0 GGADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc(Cl)c3[O-])C2)C1 ZINC000452146190 566943386 /nfs/dbraw/zinc/94/33/86/566943386.db2.gz FRSCKIILUJAPSB-MRXNPFEDSA-N 0 1 387.705 3.366 20 0 GGADMN C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)C1 ZINC000452148836 566943506 /nfs/dbraw/zinc/94/35/06/566943506.db2.gz KFCMDXZYMSTCSD-SCTDSRPQSA-N 0 1 377.326 3.497 20 0 GGADMN Cc1ccncc1[C@H](C)NCC(=O)Nc1ccccc1I ZINC000611939732 566944605 /nfs/dbraw/zinc/94/46/05/566944605.db2.gz MMEBCVLQAMLNPE-LBPRGKRZSA-N 0 1 395.244 3.284 20 0 GGADMN O=C(c1cccc(Br)c1F)N1CCC(CCN2CCOCC2)CC1 ZINC000429664972 566945046 /nfs/dbraw/zinc/94/50/46/566945046.db2.gz XWPQHEIHRFIMBM-UHFFFAOYSA-N 0 1 399.304 3.163 20 0 GGADMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1cccc(I)c1 ZINC000611939259 566945188 /nfs/dbraw/zinc/94/51/88/566945188.db2.gz QDFVTBDUJWBKML-GFCCVEGCSA-N 0 1 395.244 3.284 20 0 GGADMN O=S1(=O)CCCC[C@H]1CNCc1cccc(Br)c1OC(F)F ZINC000544181696 566946265 /nfs/dbraw/zinc/94/62/65/566946265.db2.gz NELHGHORUMXBMJ-NSHDSACASA-N 0 1 398.269 3.107 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[N@H+](C2CC2)C1 ZINC000452169870 566946495 /nfs/dbraw/zinc/94/64/95/566946495.db2.gz GPYUTQORUOKKFL-JTQLQIEISA-N 0 1 387.705 3.364 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCOC[C@H]1C1CCC1 ZINC000583383511 566946451 /nfs/dbraw/zinc/94/64/51/566946451.db2.gz IIOIRHBFBUXONU-KRWDZBQOSA-N 0 1 390.281 3.480 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(Br)ccc2OC(F)F)n[nH]1 ZINC000583383832 566946605 /nfs/dbraw/zinc/94/66/05/566946605.db2.gz VMLJMKLHSHEEOT-UHFFFAOYSA-N 0 1 389.200 3.222 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCOC[C@H]1C1CCC1 ZINC000583383943 566946614 /nfs/dbraw/zinc/94/66/14/566946614.db2.gz ZJEUKBYUIWCOCJ-AWEZNQCLSA-N 0 1 390.281 3.480 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2nn(C(C)(C)C)cc2Br)c1 ZINC000611970538 566947053 /nfs/dbraw/zinc/94/70/53/566947053.db2.gz NKAWLBCWHGGSRD-UHFFFAOYSA-N 0 1 380.290 3.110 20 0 GGADMN CN(CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC(F)(F)F ZINC000544188124 566947033 /nfs/dbraw/zinc/94/70/33/566947033.db2.gz QIZXGIFOHRVQLJ-UHFFFAOYSA-N 0 1 382.217 3.158 20 0 GGADMN C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583387078 566947520 /nfs/dbraw/zinc/94/75/20/566947520.db2.gz XWFNNMQGNFDCDX-SMDDNHRTSA-N 0 1 379.258 3.137 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCC[N@H+]1C ZINC000471313638 566947568 /nfs/dbraw/zinc/94/75/68/566947568.db2.gz HVJMASNYXKHCKJ-NOZJJQNGSA-N 0 1 383.880 3.024 20 0 GGADMN C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583387078 566947522 /nfs/dbraw/zinc/94/75/22/566947522.db2.gz XWFNNMQGNFDCDX-SMDDNHRTSA-N 0 1 379.258 3.137 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(Cl)cc1 ZINC000583393219 566947703 /nfs/dbraw/zinc/94/77/03/566947703.db2.gz RUBBFENWUWACGZ-QLFBSQMISA-N 0 1 375.847 3.402 20 0 GGADMN CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000612002292 566947960 /nfs/dbraw/zinc/94/79/60/566947960.db2.gz SELIDZJPPHVLEW-ZDUSSCGKSA-N 0 1 379.258 3.413 20 0 GGADMN CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000612002291 566948378 /nfs/dbraw/zinc/94/83/78/566948378.db2.gz SELIDZJPPHVLEW-CYBMUJFWSA-N 0 1 379.258 3.413 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc(Br)s3)no2)[C@@H](C)C1 ZINC000519567988 566948439 /nfs/dbraw/zinc/94/84/39/566948439.db2.gz OSNVODFTQOTCFD-PHIMTYICSA-N 0 1 385.331 3.475 20 0 GGADMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc4[nH]c(=O)[nH]c43)cc(Cl)c2O1 ZINC000564136796 566948777 /nfs/dbraw/zinc/94/87/77/566948777.db2.gz FHQXDLTVNRJYFJ-MRVPVSSYSA-N 0 1 379.825 3.046 20 0 GGADMN Fc1cc(Br)cc(Cc2noc(CCCCc3cn[nH]n3)n2)c1 ZINC000564128094 566948982 /nfs/dbraw/zinc/94/89/82/566948982.db2.gz STYZEJPDRPZILK-UHFFFAOYSA-N 0 1 380.221 3.246 20 0 GGADMN C[C@@H]1CC[C@H](N(CCO)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000429773343 566949137 /nfs/dbraw/zinc/94/91/37/566949137.db2.gz QERUGBGFKJZXCQ-DOMZBBRYSA-N 0 1 380.286 3.482 20 0 GGADMN CC[C@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CCN1C[C@@H](C)O ZINC000544241339 566949638 /nfs/dbraw/zinc/94/96/38/566949638.db2.gz AVBPPNWXEPCEPI-KGLIPLIRSA-N 0 1 388.339 3.023 20 0 GGADMN C[C@@H]1CC[C@H](N(CCO)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000429772814 566949718 /nfs/dbraw/zinc/94/97/18/566949718.db2.gz YFQMQPBNDUVNFZ-OLZOCXBDSA-N 0 1 380.286 3.482 20 0 GGADMN C[C@H]1CC[C@@H](N(CCO)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000429772815 566949748 /nfs/dbraw/zinc/94/97/48/566949748.db2.gz YFQMQPBNDUVNFZ-QWHCGFSZSA-N 0 1 380.286 3.482 20 0 GGADMN CC[C@@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CCN1C[C@H](C)O ZINC000544241341 566950397 /nfs/dbraw/zinc/95/03/97/566950397.db2.gz AVBPPNWXEPCEPI-UONOGXRCSA-N 0 1 388.339 3.023 20 0 GGADMN CN(C[C@@H]1CCOc2ccccc21)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000681081567 566950639 /nfs/dbraw/zinc/95/06/39/566950639.db2.gz GMYSWJSITFEGDR-KBXCAEBGSA-N 0 1 389.293 3.474 20 0 GGADMN CN(C[C@H]1CCOc2ccccc21)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000681081568 566950727 /nfs/dbraw/zinc/95/07/27/566950727.db2.gz GMYSWJSITFEGDR-KDOFPFPSSA-N 0 1 389.293 3.474 20 0 GGADMN CCC[C@H](NC(=O)c1cc2c(ccc(Br)c2C)[nH]1)c1nn[nH]n1 ZINC000612063033 566950999 /nfs/dbraw/zinc/95/09/99/566950999.db2.gz ZORWOGKWGLIMEB-LBPRGKRZSA-N 0 1 377.246 3.023 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000493602083 566951215 /nfs/dbraw/zinc/95/12/15/566951215.db2.gz ABWFUOJVLCSBGX-ZIAGYGMSSA-N 0 1 389.323 3.378 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000519600639 566951637 /nfs/dbraw/zinc/95/16/37/566951637.db2.gz CKZFPDYGSZJXLR-LBPRGKRZSA-N 0 1 395.750 3.207 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000519600637 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CC[NH+](CC)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CC(C)C ZINC000545357031 567043147 /nfs/dbraw/zinc/04/31/47/567043147.db2.gz STFPMSGXZINYNK-GFCCVEGCSA-N 0 1 381.336 3.077 20 0 GGADMN CC(C)C[C@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)OC(C)(C)C ZINC000545362154 567043361 /nfs/dbraw/zinc/04/33/61/567043361.db2.gz PXLIKJHGGSGHOD-JTQLQIEISA-N 0 1 396.303 3.077 20 0 GGADMN Cn1ncc(Br)c1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000495063454 567044791 /nfs/dbraw/zinc/04/47/91/567044791.db2.gz HAOCLOQXRBTPGF-UHFFFAOYSA-N 0 1 381.293 3.030 20 0 GGADMN Cc1cc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2C)sn1 ZINC000634657214 567045266 /nfs/dbraw/zinc/04/52/66/567045266.db2.gz AFAAVHWATMHBOE-UHFFFAOYSA-N 0 1 383.564 3.110 20 0 GGADMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000521169397 567045327 /nfs/dbraw/zinc/04/53/27/567045327.db2.gz RKAKQCKHYLKSMU-GFCCVEGCSA-N 0 1 395.750 3.255 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000495111225 567046558 /nfs/dbraw/zinc/04/65/58/567046558.db2.gz 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394.212 3.115 20 0 GGADMN Ic1ccc(N2CCN(Cc3ccccc3)CC2)nc1 ZINC000521320462 567053663 /nfs/dbraw/zinc/05/36/63/567053663.db2.gz WDOAARMMVTVHAA-UHFFFAOYSA-N 0 1 379.245 3.008 20 0 GGADMN CC[C@H](CS(=O)(=O)c1ccccc1)NCc1cncc(Br)c1C ZINC000657416085 567054805 /nfs/dbraw/zinc/05/48/05/567054805.db2.gz PWFNTVJELNCKQD-OAHLLOKOSA-N 0 1 397.338 3.495 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@H](COc3ccccc3)C2)c1Br ZINC000584563928 567054771 /nfs/dbraw/zinc/05/47/71/567054771.db2.gz DWQHLAGGPBDWQO-GFCCVEGCSA-N 0 1 378.270 3.276 20 0 GGADMN O[C@@H](CNCc1ccc(F)c(F)c1F)COc1ccccc1Br ZINC000657400347 567054927 /nfs/dbraw/zinc/05/49/27/567054927.db2.gz SGXSUPPAWWUVEY-NSHDSACASA-N 0 1 390.199 3.396 20 0 GGADMN C[C@H](NC[C@H](O)COC1CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727184 567056804 /nfs/dbraw/zinc/05/68/04/567056804.db2.gz MNVYHIVCZOTCDH-QWRGUYRKSA-N 0 1 388.295 3.077 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cncc(Br)c2C)cc1 ZINC000657438251 567056848 /nfs/dbraw/zinc/05/68/48/567056848.db2.gz 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C[C@H](NCC(=O)Nc1cccc(Br)c1)c1ccc([S@](C)=O)cc1 ZINC000495420403 567061230 /nfs/dbraw/zinc/06/12/30/567061230.db2.gz HQPSKJYHXKEPTR-MYODQAERSA-N 0 1 395.322 3.476 20 0 GGADMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(F)c(I)c1 ZINC000453184899 567061680 /nfs/dbraw/zinc/06/16/80/567061680.db2.gz UTLIASQEIIHDON-CBAPKCEASA-N 0 1 391.146 3.394 20 0 GGADMN CC(C)CSCCCN1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000495504380 567062636 /nfs/dbraw/zinc/06/26/36/567062636.db2.gz UMHALQREKVWUSF-SFHVURJKSA-N 0 1 383.989 3.263 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(I)cc1)c1ccncc1 ZINC000453207090 567062805 /nfs/dbraw/zinc/06/28/05/567062805.db2.gz HOPAKXQVDBUIFD-HNNXBMFYSA-N 0 1 395.244 3.366 20 0 GGADMN COc1ccc2c(c1)C[C@@H](N[C@@H](CCO)c1ccccc1Br)CO2 ZINC000453202091 567063243 /nfs/dbraw/zinc/06/32/43/567063243.db2.gz YJSUQYZDDOMZHE-KDOFPFPSSA-N 0 1 392.293 3.475 20 0 GGADMN Cc1cc(CNC2CCN(C(=O)c3ccc(Br)cc3C)CC2)no1 ZINC000545560965 567063273 /nfs/dbraw/zinc/06/32/73/567063273.db2.gz OBRPOXQEHBWPJR-UHFFFAOYSA-N 0 1 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Cc1nnc(SCCC(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)[nH]1 ZINC000473241087 567070685 /nfs/dbraw/zinc/07/06/85/567070685.db2.gz ONEYKQXUTBDXAF-UHFFFAOYSA-N 0 1 377.367 3.347 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000584789118 567070758 /nfs/dbraw/zinc/07/07/58/567070758.db2.gz UMLGXCDVFRADNT-GFCCVEGCSA-N 0 1 396.285 3.405 20 0 GGADMN C[C@](N)(C(=O)N1CCC(C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000521627233 567070795 /nfs/dbraw/zinc/07/07/95/567070795.db2.gz QLIARWFIJPSFLK-LJQANCHMSA-N 0 1 395.341 3.288 20 0 GGADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OC ZINC000453269822 567070986 /nfs/dbraw/zinc/07/09/86/567070986.db2.gz QHPNYAOAIBXYLE-PKFCDNJMSA-N 0 1 383.341 3.353 20 0 GGADMN CCn1c(CNC(=O)CN2CCC(C)(C)C2)nc2cc(Br)ccc21 ZINC000521642981 567071200 /nfs/dbraw/zinc/07/12/00/567071200.db2.gz WORYOTNPSWAOOA-UHFFFAOYSA-N 0 1 393.329 3.167 20 0 GGADMN C[C@@](N)(C(=O)N1CCC(C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000521627229 567071215 /nfs/dbraw/zinc/07/12/15/567071215.db2.gz QLIARWFIJPSFLK-IBGZPJMESA-N 0 1 395.341 3.288 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431285072 567072095 /nfs/dbraw/zinc/07/20/95/567072095.db2.gz AAWKMKDMWHUYDV-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN CC[C@](C)(CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000453294416 567072618 /nfs/dbraw/zinc/07/26/18/567072618.db2.gz FNQZLDJXBMXLHK-UKRRQHHQSA-N 0 1 376.316 3.072 20 0 GGADMN Cc1ccccc1OCc1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000545744297 567072662 /nfs/dbraw/zinc/07/26/62/567072662.db2.gz GIYUELQXOPECSN-UHFFFAOYSA-N 0 1 399.881 3.150 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000657582009 567072988 /nfs/dbraw/zinc/07/29/88/567072988.db2.gz RVNXICSZSBBFNK-STQMWFEESA-N 0 1 383.945 3.237 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000521690289 567073483 /nfs/dbraw/zinc/07/34/83/567073483.db2.gz LMYWMQRQMCSMMM-MRXNPFEDSA-N 0 1 376.444 3.095 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000473361759 567075139 /nfs/dbraw/zinc/07/51/39/567075139.db2.gz KWJFOKDFBKTCSM-HNNXBMFYSA-N 0 1 389.228 3.420 20 0 GGADMN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000521692323 567075532 /nfs/dbraw/zinc/07/55/32/567075532.db2.gz SUWMIMDHXZYPKW-LBPRGKRZSA-N 0 1 380.407 3.093 20 0 GGADMN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000521693015 567075880 /nfs/dbraw/zinc/07/58/80/567075880.db2.gz YWFWBZIEIZRQTG-GFCCVEGCSA-N 0 1 394.871 3.190 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2ccc(Br)cc2OC(C)C)n[nH]1 ZINC000496555504 567076007 /nfs/dbraw/zinc/07/60/07/567076007.db2.gz VNUKJVUVYVWMBO-JTQLQIEISA-N 0 1 381.274 3.408 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)CCCc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000473375173 567076186 /nfs/dbraw/zinc/07/61/86/567076186.db2.gz WHCSFYXASOFWMZ-NWDGAFQWSA-N 0 1 379.353 3.291 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)CCCc2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000473375174 567076782 /nfs/dbraw/zinc/07/67/82/567076782.db2.gz WHCSFYXASOFWMZ-RYUDHWBXSA-N 0 1 379.353 3.291 20 0 GGADMN O=C(Cc1ccccc1Br)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473373188 567076841 /nfs/dbraw/zinc/07/68/41/567076841.db2.gz LRBUWUDAUNVSAL-INIZCTEOSA-N 0 1 385.265 3.210 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Br)cc1F ZINC000473382666 567076911 /nfs/dbraw/zinc/07/69/11/567076911.db2.gz LJNMZDCSDJTMOF-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)CCCc2cc(Cl)sc2Cl)[C@H](C)C1 ZINC000473375175 567077022 /nfs/dbraw/zinc/07/70/22/567077022.db2.gz WHCSFYXASOFWMZ-VXGBXAGGSA-N 0 1 379.353 3.291 20 0 GGADMN COc1ccc(OC)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC000584875419 567077655 /nfs/dbraw/zinc/07/76/55/567077655.db2.gz LUPNVTBLZNERPD-INIZCTEOSA-N 0 1 380.238 3.382 20 0 GGADMN COc1ccc(O)c(S(=O)(=O)Nc2cc(Br)c(F)cc2C)c1 ZINC000473416173 567078675 /nfs/dbraw/zinc/07/86/75/567078675.db2.gz XVIOTPYPZYIKJI-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN O=C([C@@H]1CCCc2n[nH]nc21)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000614025570 567079377 /nfs/dbraw/zinc/07/93/77/567079377.db2.gz ANYITXUNAWUUSK-GFCCVEGCSA-N 0 1 387.281 3.456 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)C2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000496817589 567079994 /nfs/dbraw/zinc/07/99/94/567079994.db2.gz PCDMDUODKGHXDB-GASCZTMLSA-N 0 1 395.341 3.096 20 0 GGADMN COc1cccc(CNCC2(S(C)(=O)=O)CCCCC2)c1OC(F)F ZINC000657652653 567080391 /nfs/dbraw/zinc/08/03/91/567080391.db2.gz CDBQJEKPDGHUIA-UHFFFAOYSA-N 0 1 377.453 3.134 20 0 GGADMN C[C@H]1C[C@H](NC[C@@H](O)Cc2cccc(Cl)c2)c2ccsc2S1(=O)=O ZINC000565594478 567081439 /nfs/dbraw/zinc/08/14/39/567081439.db2.gz YMHYBKDCJJORAQ-PJODQICGSA-N 0 1 385.938 3.202 20 0 GGADMN COc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)c(Cl)c1OC ZINC000657653153 567081677 /nfs/dbraw/zinc/08/16/77/567081677.db2.gz KMRJHBAGVGCNKA-UHFFFAOYSA-N 0 1 375.918 3.194 20 0 GGADMN Cc1nc(-c2ccc(CNC(=O)C(C)(C)CN3CCOCC3)s2)cs1 ZINC000635134863 567081711 /nfs/dbraw/zinc/08/17/11/567081711.db2.gz OEJZFLCRMOCQGG-UHFFFAOYSA-N 0 1 379.551 3.155 20 0 GGADMN COc1ccc(C[C@H](CO)CN[C@H](C)c2cc(C)on2)cc1Br ZINC000453376047 567081799 /nfs/dbraw/zinc/08/17/99/567081799.db2.gz PHLORQWAAPUERX-OCCSQVGLSA-N 0 1 383.286 3.256 20 0 GGADMN COCCOCC[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000588981056 567147625 /nfs/dbraw/zinc/14/76/25/567147625.db2.gz BLPSYUVXBPYHQT-UHFFFAOYSA-N 0 1 383.657 3.039 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2nc3ccccc3cc2Br)C1 ZINC000521851965 567082427 /nfs/dbraw/zinc/08/24/27/567082427.db2.gz UBSIXQPZJJXZPO-CYBMUJFWSA-N 0 1 376.298 3.459 20 0 GGADMN COc1cc(CNCC2(S(C)(=O)=O)CCCCC2)c(SC)cc1OC ZINC000657653533 567082492 /nfs/dbraw/zinc/08/24/92/567082492.db2.gz MPSNOMICBRKOPL-UHFFFAOYSA-N 0 1 387.567 3.263 20 0 GGADMN O=C(NCCOC(F)(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000473468538 567082834 /nfs/dbraw/zinc/08/28/34/567082834.db2.gz FZRCMQIVXKQLLH-UHFFFAOYSA-N 0 1 379.810 3.140 20 0 GGADMN CS(=O)(=O)C1(CNCc2ccc(Br)cc2F)CCCCC1 ZINC000657653139 567082987 /nfs/dbraw/zinc/08/29/87/567082987.db2.gz JZQBQASMZGLRPL-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN Cc1ccc(C[C@@H](NCc2nn(C)cc2I)C2CC2)cc1 ZINC000453385564 567083321 /nfs/dbraw/zinc/08/33/21/567083321.db2.gz URDHHICDEGMTAI-MRXNPFEDSA-N 0 1 395.288 3.444 20 0 GGADMN COc1ccc(Br)cc1C[C@@H](CO)CN[C@H](C)c1cc(C)on1 ZINC000453382531 567083928 /nfs/dbraw/zinc/08/39/28/567083928.db2.gz RTWIRTQWZGGDPD-CHWSQXEVSA-N 0 1 383.286 3.256 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1Cl)N1CCN(C)CC1 ZINC000521888885 567084994 /nfs/dbraw/zinc/08/49/94/567084994.db2.gz NVLMQZIAHUULMD-MRXNPFEDSA-N 0 1 387.355 3.065 20 0 GGADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000521886889 567085041 /nfs/dbraw/zinc/08/50/41/567085041.db2.gz QCNHPCFYYHOKGY-HNNXBMFYSA-N 0 1 376.678 3.416 20 0 GGADMN COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)CCC1CC1 ZINC000545891951 567085542 /nfs/dbraw/zinc/08/55/42/567085542.db2.gz IDIUMPPLRNAMLO-UHFFFAOYSA-N 0 1 376.272 3.086 20 0 GGADMN CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccsc1 ZINC000585747593 567085594 /nfs/dbraw/zinc/08/55/94/567085594.db2.gz VPIPOSGODAHZON-UHFFFAOYSA-N 0 1 375.563 3.367 20 0 GGADMN CCn1c(SCc2nn[nH]n2)nc2scc(-c3cccs3)c2c1=O ZINC000497216255 567086410 /nfs/dbraw/zinc/08/64/10/567086410.db2.gz VQWTYCCSSLGUMW-UHFFFAOYSA-N 0 1 376.492 3.012 20 0 GGADMN Brc1ccccc1-n1cc(CNC[C@@H]2COc3ccccc32)nn1 ZINC000565650005 567086892 /nfs/dbraw/zinc/08/68/92/567086892.db2.gz INNQZRLVYYFZIQ-CYBMUJFWSA-N 0 1 385.265 3.296 20 0 GGADMN CCC(C)(C)OCCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453415282 567087046 /nfs/dbraw/zinc/08/70/46/567087046.db2.gz UFAQBARKKPIRBO-JTQLQIEISA-N 0 1 383.341 3.497 20 0 GGADMN O[C@@H]1CCC[C@H]1N1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000682996259 567091037 /nfs/dbraw/zinc/09/10/37/567091037.db2.gz OHASTCBPSLREFP-CHWSQXEVSA-N 0 1 379.751 3.195 20 0 GGADMN Cc1ccnc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1 ZINC000683013730 567091207 /nfs/dbraw/zinc/09/12/07/567091207.db2.gz JGZQQCCHKLKGAF-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1Cc2cccc(Br)c2C1 ZINC000683018889 567091327 /nfs/dbraw/zinc/09/13/27/567091327.db2.gz AOXVMDJTCWILAE-UHFFFAOYSA-N 0 1 399.248 3.115 20 0 GGADMN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCN(C2CCC2)CC1 ZINC000545949596 567091785 /nfs/dbraw/zinc/09/17/85/567091785.db2.gz GQZQDKAVXFXOND-UHFFFAOYSA-N 0 1 391.313 3.310 20 0 GGADMN COC(=O)c1ccc(OC)cc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000586559359 567092562 /nfs/dbraw/zinc/09/25/62/567092562.db2.gz OYNYUGKRGRSOHK-UHFFFAOYSA-N 0 1 383.853 3.120 20 0 GGADMN Cc1cc(Br)c(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000453577867 567092573 /nfs/dbraw/zinc/09/25/73/567092573.db2.gz XSDUEFNMYVWSTP-SNVBAGLBSA-N 0 1 385.249 3.462 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000683046227 567093085 /nfs/dbraw/zinc/09/30/85/567093085.db2.gz YSGCUBYORXVUFU-LSDHHAIUSA-N 0 1 388.295 3.065 20 0 GGADMN C[C@@](N)(C(=O)Nc1ccc(N2CCCC2)cn1)c1ccc(Br)cc1 ZINC000521997759 567093664 /nfs/dbraw/zinc/09/36/64/567093664.db2.gz TVVFHROTTCGZOK-SFHVURJKSA-N 0 1 389.297 3.257 20 0 GGADMN C[C@](N)(C(=O)Nc1ccc(N2CCCC2)cn1)c1ccc(Br)cc1 ZINC000521997758 567093839 /nfs/dbraw/zinc/09/38/39/567093839.db2.gz TVVFHROTTCGZOK-GOSISDBHSA-N 0 1 389.297 3.257 20 0 GGADMN CCC[C@@]1(CO)CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000565742174 567094650 /nfs/dbraw/zinc/09/46/50/567094650.db2.gz APPFTTVMDZJYIK-LJQANCHMSA-N 0 1 397.357 3.270 20 0 GGADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)N1CCN(C)CC1 ZINC000586763570 567094775 /nfs/dbraw/zinc/09/47/75/567094775.db2.gz IFICFUMMQWBPBU-WMLDXEAASA-N 0 1 386.367 3.485 20 0 GGADMN COc1cccc(C2(NCc3ccc(S(N)(=O)=O)c(Cl)c3)CCC2)c1 ZINC000657779017 567095023 /nfs/dbraw/zinc/09/50/23/567095023.db2.gz OJMYQSIBBQAFPV-UHFFFAOYSA-N 0 1 380.897 3.165 20 0 GGADMN COc1cc(CNCc2sc(C)cc2Br)ccc1OCCO ZINC000453586953 567095215 /nfs/dbraw/zinc/09/52/15/567095215.db2.gz KBAHPDWDBZNVRA-UHFFFAOYSA-N 0 1 386.311 3.489 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(I)ccc2C)C[C@@H]1C ZINC000614223538 567095327 /nfs/dbraw/zinc/09/53/27/567095327.db2.gz JEXWMJIUIROTJT-LBPRGKRZSA-N 0 1 387.265 3.158 20 0 GGADMN CSc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000657761257 567095308 /nfs/dbraw/zinc/09/53/08/567095308.db2.gz HWOWVQGTFHLOHN-VIFPVBQESA-N 0 1 381.889 3.119 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1C ZINC000546021263 567095703 /nfs/dbraw/zinc/09/57/03/567095703.db2.gz NBUZBZCDMZBSLG-UHFFFAOYSA-N 0 1 389.832 3.319 20 0 GGADMN Ic1cnc(CNCCN2CCCc3ccccc32)s1 ZINC000586776466 567096089 /nfs/dbraw/zinc/09/60/89/567096089.db2.gz BEJWPMTVFQFSGO-UHFFFAOYSA-N 0 1 399.301 3.290 20 0 GGADMN O=c1ccccn1CCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000586795982 567096289 /nfs/dbraw/zinc/09/62/89/567096289.db2.gz HTZUVVGDZSIXHT-UHFFFAOYSA-N 0 1 377.267 3.188 20 0 GGADMN Cc1cnc(CCNCc2ncc(Br)cc2Br)cn1 ZINC000453605005 567096244 /nfs/dbraw/zinc/09/62/44/567096244.db2.gz ZKAYGKOONPETFF-UHFFFAOYSA-N 0 1 386.091 3.037 20 0 GGADMN COc1ccc(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1Br ZINC000453609530 567097080 /nfs/dbraw/zinc/09/70/80/567097080.db2.gz JGVOZARTSNBWJI-LBPRGKRZSA-N 0 1 378.270 3.278 20 0 GGADMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000522055740 567097198 /nfs/dbraw/zinc/09/71/98/567097198.db2.gz FNLKMAUMUDHZDJ-GFCCVEGCSA-N 0 1 395.750 3.255 20 0 GGADMN COc1ccc(CNC[C@H](O)[C@@H](C)c2ccccc2)c(Br)c1O ZINC000657795258 567097169 /nfs/dbraw/zinc/09/71/69/567097169.db2.gz FBGOJHDSCJLFKM-WFASDCNBSA-N 0 1 380.282 3.418 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(Br)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000683145020 567097610 /nfs/dbraw/zinc/09/76/10/567097610.db2.gz FJAOOLZCQLIESG-BMIGLBTASA-N 0 1 397.704 3.120 20 0 GGADMN C[C@H]1C[C@@H](NCc2ccc(Br)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000683145024 567097711 /nfs/dbraw/zinc/09/77/11/567097711.db2.gz FJAOOLZCQLIESG-ZUZCIYMTSA-N 0 1 397.704 3.120 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(C)c(Br)c3)CC2)c1 ZINC000473715974 567098128 /nfs/dbraw/zinc/09/81/28/567098128.db2.gz MQGGTORPEJIKGE-UHFFFAOYSA-N 0 1 390.281 3.124 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 ZINC000683144089 567098075 /nfs/dbraw/zinc/09/80/75/567098075.db2.gz 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3.455 20 0 GGADMN CO[C@H](C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C(C)C ZINC000473792184 567102735 /nfs/dbraw/zinc/10/27/35/567102735.db2.gz WUWVBGPBJMTPJQ-HNNXBMFYSA-N 0 1 386.470 3.298 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)n[nH]1 ZINC000565816175 567102912 /nfs/dbraw/zinc/10/29/12/567102912.db2.gz RVCOLSUCUAJJLE-QYNFOATHSA-N 0 1 382.452 3.420 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1Br ZINC000614324934 567103612 /nfs/dbraw/zinc/10/36/12/567103612.db2.gz YGFSGLRCPROKPV-BNOWGMLFSA-N 0 1 384.318 3.280 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1Br ZINC000614324937 567103643 /nfs/dbraw/zinc/10/36/43/567103643.db2.gz YGFSGLRCPROKPV-YUTCNCBUSA-N 0 1 384.318 3.280 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000497514269 567103786 /nfs/dbraw/zinc/10/37/86/567103786.db2.gz DZIDQJWEDCOBJZ-KBPBESRZSA-N 0 1 389.359 3.299 20 0 GGADMN Cc1oc(C[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000565838904 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COc1ccc(Br)cc1C(=O)CCC(=O)N(C)Cc1cn[nH]c1C ZINC000636064804 567122662 /nfs/dbraw/zinc/12/26/62/567122662.db2.gz KOWPEKJACOYPSK-UHFFFAOYSA-N 0 1 394.269 3.111 20 0 GGADMN Cc1ccc(Br)cc1-c1nnc(N2CC[C@H](c3nc[nH]n3)C2)s1 ZINC000566064639 567122548 /nfs/dbraw/zinc/12/25/48/567122548.db2.gz RHFPGMDLCWAJPP-JTQLQIEISA-N 0 1 391.298 3.388 20 0 GGADMN COC(=O)C1(N(C)CCC(=O)Nc2cccc(Br)c2)CCCC1 ZINC000432010043 567123245 /nfs/dbraw/zinc/12/32/45/567123245.db2.gz BIHJBTZFDVDMLN-UHFFFAOYSA-N 0 1 383.286 3.195 20 0 GGADMN COC(=O)c1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c[nH]1 ZINC000474006204 567123709 /nfs/dbraw/zinc/12/37/09/567123709.db2.gz ACDFKIVEYLLFGB-CYBMUJFWSA-N 0 1 382.247 3.003 20 0 GGADMN Cn1ccc(CNc2ccc(CN3CCN(C)CC3)c(Br)c2)c1 ZINC000474012855 567124449 /nfs/dbraw/zinc/12/44/49/567124449.db2.gz VTNCZKIJJLWOEG-UHFFFAOYSA-N 0 1 377.330 3.147 20 0 GGADMN CCn1nccc1CC[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000566073978 567124783 /nfs/dbraw/zinc/12/47/83/567124783.db2.gz KRCGLLDTWQXTLC-UHFFFAOYSA-N 0 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567128065 /nfs/dbraw/zinc/12/80/65/567128065.db2.gz HAQSQAXKHXUHER-UHFFFAOYSA-N 0 1 392.179 3.340 20 0 GGADMN CC(C)[C@H](Cc1ccc(Br)cc1)NCc1nc(C(N)=O)cs1 ZINC000658231246 567129278 /nfs/dbraw/zinc/12/92/78/567129278.db2.gz BCOGYXFEZQYNEI-ZDUSSCGKSA-N 0 1 382.327 3.361 20 0 GGADMN O[C@H](CNCc1cc(F)c(F)cc1Br)COCc1ccccc1 ZINC000566131083 567129470 /nfs/dbraw/zinc/12/94/70/567129470.db2.gz VRSXXZKZTVGIHW-CQSZACIVSA-N 0 1 386.236 3.395 20 0 GGADMN CC(C)[C@@H](Cc1ccc(Br)cc1)NCc1nc(C(N)=O)cs1 ZINC000658231245 567129715 /nfs/dbraw/zinc/12/97/15/567129715.db2.gz BCOGYXFEZQYNEI-CYBMUJFWSA-N 0 1 382.327 3.361 20 0 GGADMN O=C(Cc1csc2ccc(Br)cc12)N1CC[C@H](c2nc[nH]n2)C1 ZINC000566132696 567129814 /nfs/dbraw/zinc/12/98/14/567129814.db2.gz WWIMXOUHHILAMO-JTQLQIEISA-N 0 1 391.294 3.341 20 0 GGADMN COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000588633870 567129863 /nfs/dbraw/zinc/12/98/63/567129863.db2.gz MKALFTPYPRETRH-UHFFFAOYSA-N 0 1 376.459 3.349 20 0 GGADMN O=C(Cc1csc2ccc(Br)cc12)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566132700 567130360 /nfs/dbraw/zinc/13/03/60/567130360.db2.gz WWIMXOUHHILAMO-SNVBAGLBSA-N 0 1 391.294 3.341 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000474075113 567130441 /nfs/dbraw/zinc/13/04/41/567130441.db2.gz USCNEPLZSDZZPT-HNNXBMFYSA-N 0 1 376.444 3.263 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000497882370 567130741 /nfs/dbraw/zinc/13/07/41/567130741.db2.gz IPYJNGOUBYHUDW-UHFFFAOYSA-N 0 1 377.178 3.331 20 0 GGADMN Cc1c([C@@H](C)NC[C@H](CO)CC2CC2)nnn1-c1cccc(Br)c1 ZINC000658248598 567131164 /nfs/dbraw/zinc/13/11/64/567131164.db2.gz PSIUJTIIQQKWBQ-IUODEOHRSA-N 0 1 393.329 3.397 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1ccccc1I ZINC000497897874 567131323 /nfs/dbraw/zinc/13/13/23/567131323.db2.gz KHUVSXKNCRJKJF-UHFFFAOYSA-N 0 1 391.159 3.442 20 0 GGADMN CCOC[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000474091808 567132142 /nfs/dbraw/zinc/13/21/42/567132142.db2.gz 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CC[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000497978846 567139377 /nfs/dbraw/zinc/13/93/77/567139377.db2.gz OYQPWBDXFJOKND-WPRPVWTQSA-N 0 1 399.740 3.339 20 0 GGADMN O[C@@H](CNCc1ccc(F)c(Cl)c1Cl)COc1ccc2c(c1)OCO2 ZINC000432237179 567139426 /nfs/dbraw/zinc/13/94/26/567139426.db2.gz DDMUIROOMRCCLX-NSHDSACASA-N 0 1 388.222 3.391 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)NCCN3CC=C(C)CC3)cc21 ZINC000546577284 567139583 /nfs/dbraw/zinc/13/95/83/567139583.db2.gz AVUZMWIFZLEZPQ-UHFFFAOYSA-N 0 1 392.297 3.321 20 0 GGADMN O[C@H](CNCc1ccc(F)c(Cl)c1Cl)COc1ccc2c(c1)OCO2 ZINC000432237177 567139746 /nfs/dbraw/zinc/13/97/46/567139746.db2.gz DDMUIROOMRCCLX-LLVKDONJSA-N 0 1 388.222 3.391 20 0 GGADMN O[C@H](CNCc1csc(Cl)c1Cl)COc1ccc2c(c1)OCO2 ZINC000432238532 567139817 /nfs/dbraw/zinc/13/98/17/567139817.db2.gz RZAUPSDTRULFOU-SNVBAGLBSA-N 0 1 376.261 3.313 20 0 GGADMN Cc1cc2cccnc2c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000614784247 567140042 /nfs/dbraw/zinc/14/00/42/567140042.db2.gz 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COC1(CO)CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000683677528 567145571 /nfs/dbraw/zinc/14/55/71/567145571.db2.gz VYPCEAPERYKWRJ-QWHCGFSZSA-N 0 1 389.323 3.032 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000498030045 567145752 /nfs/dbraw/zinc/14/57/52/567145752.db2.gz GPBUNTBXAKURRL-UHFFFAOYSA-N 0 1 397.294 3.260 20 0 GGADMN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1ccc(Br)c(F)c1 ZINC000498033138 567145819 /nfs/dbraw/zinc/14/58/19/567145819.db2.gz RWNDMWONGLGGHO-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN CSCC[C@H](NCc1ccc(Br)cc1SC)C(=O)N(C)C ZINC000588931791 567146000 /nfs/dbraw/zinc/14/60/00/567146000.db2.gz PDMZNSVKRVLAFV-ZDUSSCGKSA-N 0 1 391.400 3.471 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(C)CC1 ZINC000588935101 567146115 /nfs/dbraw/zinc/14/61/15/567146115.db2.gz KEQBHZVHXSCMCI-AWEZNQCLSA-N 0 1 377.941 3.434 20 0 GGADMN CN(C)c1nc2sc(C(=O)Nc3nnc([C@H]4CCCO4)s3)cc2s1 ZINC000636354331 567147058 /nfs/dbraw/zinc/14/70/58/567147058.db2.gz 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NC(=O)C[C@H]1CCCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474259266 567152200 /nfs/dbraw/zinc/15/22/00/567152200.db2.gz NBPVLQKYLSQLKL-SNVBAGLBSA-N 0 1 395.219 3.435 20 0 GGADMN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3C(=O)[O-])C2)n1 ZINC000566358533 567152620 /nfs/dbraw/zinc/15/26/20/567152620.db2.gz IIYDBCWNJROMMN-LLVKDONJSA-N 0 1 380.242 3.218 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000498105208 567152932 /nfs/dbraw/zinc/15/29/32/567152932.db2.gz AJGIRJAFKUOUFN-ZDUSSCGKSA-N 0 1 377.539 3.388 20 0 GGADMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000498102252 567153277 /nfs/dbraw/zinc/15/32/77/567153277.db2.gz RZLWFJQOTCDOGG-UHFFFAOYSA-N 0 1 377.941 3.339 20 0 GGADMN Cc1ccc(CCCN(C)CC(=O)Nc2ccc(Br)cn2)cn1 ZINC000474267997 567153791 /nfs/dbraw/zinc/15/37/91/567153791.db2.gz RCMAIVCBUUJUJP-UHFFFAOYSA-N 0 1 377.286 3.051 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000474275809 567154531 /nfs/dbraw/zinc/15/45/31/567154531.db2.gz IFLDSXKPNKTUJV-CRAIPNDOSA-N 0 1 382.287 3.325 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)NCCN2CC=CCC2)cc1Cl ZINC000432370752 567155049 /nfs/dbraw/zinc/15/50/49/567155049.db2.gz VXGXEQIPJHOSSS-UHFFFAOYSA-N 0 1 388.295 3.402 20 0 GGADMN COC(=O)c1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cc(Br)c1F ZINC000432367536 567155099 /nfs/dbraw/zinc/15/50/99/567155099.db2.gz HMHOKKDSTKZLQY-AOOOYVTPSA-N 0 1 387.249 3.186 20 0 GGADMN OC[C@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000474282177 567156433 /nfs/dbraw/zinc/15/64/33/567156433.db2.gz YTFXCVFTIHRPHC-QAPCUYQASA-N 0 1 382.287 3.325 20 0 GGADMN Cc1ccc(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)c(=O)n1C ZINC000683820556 567156617 /nfs/dbraw/zinc/15/66/17/567156617.db2.gz LSQDNSMOAHDAOA-QZTJIDSGSA-N 0 1 391.309 3.466 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615087075 567156779 /nfs/dbraw/zinc/15/67/79/567156779.db2.gz JXDDFLZXEIUVHF-LBPRGKRZSA-N 0 1 399.304 3.222 20 0 GGADMN C[C@H]1COCCN1C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000615091946 567156920 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ZINC000546777039 567158113 /nfs/dbraw/zinc/15/81/13/567158113.db2.gz YJDQTCGAKGEAEQ-CHWSQXEVSA-N 0 1 393.347 3.221 20 0 GGADMN CN(C)C(=O)CCCN1CCC[C@@H]1c1ccc(I)cc1 ZINC000566414652 567158146 /nfs/dbraw/zinc/15/81/46/567158146.db2.gz RYGLPKNTTJLOFG-OAHLLOKOSA-N 0 1 386.277 3.297 20 0 GGADMN CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1CCCN1C1CC1 ZINC000683867780 567158357 /nfs/dbraw/zinc/15/83/57/567158357.db2.gz PQEWVVDNNZCADW-HNNXBMFYSA-N 0 1 377.286 3.384 20 0 GGADMN C[C@H](C(=O)N1CCC(N2CCOC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000615086157 567158419 /nfs/dbraw/zinc/15/84/19/567158419.db2.gz BVCNNSXGEWDHRP-GJZGRUSLSA-N 0 1 395.341 3.264 20 0 GGADMN Cc1cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c(Br)s1 ZINC000615088014 567158426 /nfs/dbraw/zinc/15/84/26/567158426.db2.gz AKNQYKGXMQDBCU-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H]1c1ccc(I)cc1)N1CC(C)C1 ZINC000566444361 567158740 /nfs/dbraw/zinc/15/87/40/567158740.db2.gz DUZZZOGXRSMHRJ-BBRMVZONSA-N 0 1 398.288 3.295 20 0 GGADMN CC1(C)CCN(CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000566436319 567159056 /nfs/dbraw/zinc/15/90/56/567159056.db2.gz FOVZDCPHNQTSGD-OAHLLOKOSA-N 0 1 394.357 3.124 20 0 GGADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)CC(F)F ZINC000498216049 567160115 /nfs/dbraw/zinc/16/01/15/567160115.db2.gz KSSKVZXLLZSODP-NSHDSACASA-N 0 1 382.238 3.153 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N2CCC3(CN(C)C3)C2)cc1OC ZINC000683908754 567160462 /nfs/dbraw/zinc/16/04/62/567160462.db2.gz ICWRQSFHTYBCIK-UHFFFAOYSA-N 0 1 397.313 3.024 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1csc(-c3cc(Br)cs3)n1)C2 ZINC000683907133 567160735 /nfs/dbraw/zinc/16/07/35/567160735.db2.gz CURPAVMUQDSNFR-UHFFFAOYSA-N 0 1 398.351 3.412 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)NCc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000498224454 567160929 /nfs/dbraw/zinc/16/09/29/567160929.db2.gz CXRHERHQHDBJCF-CHWSQXEVSA-N 0 1 384.318 3.082 20 0 GGADMN CN1CC2(C1)CCN(C(=O)COc1ccc3ccccc3c1Br)C2 ZINC000683906298 567160930 /nfs/dbraw/zinc/16/09/30/567160930.db2.gz 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ZINC000523578406 567162054 /nfs/dbraw/zinc/16/20/54/567162054.db2.gz LJGFZONBUZRTPF-RHSMWYFYSA-N 0 1 387.355 3.380 20 0 GGADMN Cc1occc1C(=O)NCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000474364863 567162193 /nfs/dbraw/zinc/16/21/93/567162193.db2.gz CIAKMFHZEDKZTI-UHFFFAOYSA-N 0 1 387.617 3.078 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1Cl ZINC000589170854 567163296 /nfs/dbraw/zinc/16/32/96/567163296.db2.gz ZYXSFSRLNBDLEP-ZDUSSCGKSA-N 0 1 377.337 3.469 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCOCC2(CCC2)C1 ZINC000546822697 567163538 /nfs/dbraw/zinc/16/35/38/567163538.db2.gz AJRJWAMRSMYRHW-UHFFFAOYSA-N 0 1 390.281 3.482 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)N3CCN(C)CC[C@@H]3C)c2c1C ZINC000523662366 567165439 /nfs/dbraw/zinc/16/54/39/567165439.db2.gz LUIDHQPIRWEQNY-NSHDSACASA-N 0 1 378.567 3.261 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl)N1CCN(C)CC1 ZINC000523697715 567167516 /nfs/dbraw/zinc/16/75/16/567167516.db2.gz NLNSLQPZCLYMCE-OLZOCXBDSA-N 0 1 390.380 3.226 20 0 GGADMN 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ZINC000684048368 567173816 /nfs/dbraw/zinc/17/38/16/567173816.db2.gz RKDVZXAIEKUAKZ-AWEZNQCLSA-N 0 1 378.270 3.338 20 0 GGADMN C[C@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H](C)O1 ZINC000454432967 567175028 /nfs/dbraw/zinc/17/50/28/567175028.db2.gz DRRQNWBBKODJJX-DFEHZGFQSA-N 0 1 395.341 3.168 20 0 GGADMN CC(C)[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(F)cn1 ZINC000498414929 567176211 /nfs/dbraw/zinc/17/62/11/567176211.db2.gz NNVFUEIBFVJLPM-QGZVFWFLSA-N 0 1 385.892 3.139 20 0 GGADMN CC(C)[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(F)cn1 ZINC000498414923 567176893 /nfs/dbraw/zinc/17/68/93/567176893.db2.gz NNVFUEIBFVJLPM-KRWDZBQOSA-N 0 1 385.892 3.139 20 0 GGADMN C[C@@H](NCc1ccc(CC(N)=O)cc1)c1ccccc1I ZINC000589344774 567177022 /nfs/dbraw/zinc/17/70/22/567177022.db2.gz DJVCFKSTEXBPLZ-GFCCVEGCSA-N 0 1 394.256 3.170 20 0 GGADMN Cc1nc(CS(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cs1 ZINC000684098708 567177019 /nfs/dbraw/zinc/17/70/19/567177019.db2.gz DXKPAXINMMCQKW-SFHVURJKSA-N 0 1 379.551 3.016 20 0 GGADMN O=S(=O)(NCCc1ccc(F)c(Br)c1)c1c(F)cccc1F ZINC000615298371 567177194 /nfs/dbraw/zinc/17/71/94/567177194.db2.gz YIAYNYKGVCZQPV-UHFFFAOYSA-N 0 1 394.212 3.387 20 0 GGADMN O=C(CCCNS(=O)(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1 ZINC000615292120 567177212 /nfs/dbraw/zinc/17/72/12/567177212.db2.gz FQPGMKFXCBHIKR-UHFFFAOYSA-N 0 1 388.823 3.315 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000684101506 567177714 /nfs/dbraw/zinc/17/77/14/567177714.db2.gz QUMYGPJMSPRCHP-KHSSZTOVSA-N 0 1 390.307 3.001 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)c(OC)c1 ZINC000432648445 567178060 /nfs/dbraw/zinc/17/80/60/567178060.db2.gz JMFDEUFAORUNAU-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000684099768 567178525 /nfs/dbraw/zinc/17/85/25/567178525.db2.gz YGEPMCROECDKKL-ZIAGYGMSSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@@H]1OCC[C@]12CN(C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H](C)O2 ZINC000684101405 567178611 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COc1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000474587162 567181371 /nfs/dbraw/zinc/18/13/71/567181371.db2.gz RQFLPXBQILBZIN-FZKQIMNGSA-N 0 1 382.913 3.318 20 0 GGADMN CSc1n[nH]c(NC(=O)c2ccc(I)cc2Cl)n1 ZINC000524133031 567183951 /nfs/dbraw/zinc/18/39/51/567183951.db2.gz DBPRWDFZNMRAAW-UHFFFAOYSA-N 0 1 394.625 3.037 20 0 GGADMN COC(=O)[C@H](C)CN(CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000524160960 567184298 /nfs/dbraw/zinc/18/42/98/567184298.db2.gz ZWFGRPCHCOBWGT-NEPJUHHUSA-N 0 1 387.307 3.444 20 0 GGADMN O=C(CNCc1ccc(Br)cc1C(F)(F)F)NCC(F)(F)F ZINC000474621975 567184332 /nfs/dbraw/zinc/18/43/32/567184332.db2.gz JQJFFHBTTDTNFM-UHFFFAOYSA-N 0 1 393.125 3.236 20 0 GGADMN Fc1ccc(I)c(F)c1CNCCc1nccs1 ZINC000474616043 567184556 /nfs/dbraw/zinc/18/45/56/567184556.db2.gz UIHKBBGEBUJYHM-UHFFFAOYSA-N 0 1 380.201 3.358 20 0 GGADMN C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000589610497 567186059 /nfs/dbraw/zinc/18/60/59/567186059.db2.gz NTBSAKHISMPSKZ-NVXWUHKLSA-N 0 1 385.599 3.086 20 0 GGADMN C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cncc(Br)c1 ZINC000566748846 567186319 /nfs/dbraw/zinc/18/63/19/567186319.db2.gz NYANWCWKAKPIGW-GFCCVEGCSA-N 0 1 383.311 3.240 20 0 GGADMN CCN1C[C@H](C)N(C(=O)CCc2ccc(OC)c(Br)c2)C[C@H]1C ZINC000498568156 567186223 /nfs/dbraw/zinc/18/62/23/567186223.db2.gz YTSSSCONFOHOIN-KGLIPLIRSA-N 0 1 383.330 3.331 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cccc(I)c2C)C[C@@H]1C ZINC000498556718 567186466 /nfs/dbraw/zinc/18/64/66/567186466.db2.gz QVPXRUGLPDHDDQ-NWDGAFQWSA-N 0 1 386.277 3.154 20 0 GGADMN CCN1C[C@H](C)N(C(=O)CSc2ncnc3sc(C)c(C)c32)C[C@@H]1C ZINC000498553898 567186659 /nfs/dbraw/zinc/18/66/59/567186659.db2.gz IDWZUSQBZKFGTD-RYUDHWBXSA-N 0 1 378.567 3.341 20 0 GGADMN CC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000615524820 567186979 /nfs/dbraw/zinc/18/69/79/567186979.db2.gz UTQZCKTTYTTWMW-CYBMUJFWSA-N 0 1 376.254 3.423 20 0 GGADMN CC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000615524406 567187001 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O=C(NCc1n[nH]c(C2CCOCC2)n1)NCc1ccc(Cl)c(Cl)c1 ZINC000637275119 567188843 /nfs/dbraw/zinc/18/88/43/567188843.db2.gz MJNZKJXJUVIBCX-UHFFFAOYSA-N 0 1 384.267 3.005 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000566782696 567189913 /nfs/dbraw/zinc/18/99/13/567189913.db2.gz GNIWJMDNHZTTAW-PRHODGIISA-N 0 1 396.264 3.316 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000566782695 567190296 /nfs/dbraw/zinc/19/02/96/567190296.db2.gz GNIWJMDNHZTTAW-PELKAZGASA-N 0 1 396.264 3.316 20 0 GGADMN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432780959 567190309 /nfs/dbraw/zinc/19/03/09/567190309.db2.gz PHCUELQKASNWFX-CQSZACIVSA-N 0 1 395.301 3.211 20 0 GGADMN Cc1cccc(I)c1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000474685027 567190855 /nfs/dbraw/zinc/19/08/55/567190855.db2.gz FFLHWXAJMSRQIS-KBPBESRZSA-N 0 1 398.288 3.298 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)NCCCCn2cc(Br)cn2)o1 ZINC000684228604 567191042 /nfs/dbraw/zinc/19/10/42/567191042.db2.gz RYJYPSKCGUDVHL-UHFFFAOYSA-N 0 1 397.317 3.291 20 0 GGADMN C[C@@H]1CN(Cc2nn(C)cc2Br)[C@@H](C)CN1Cc1ccccc1 ZINC000432781583 567191342 /nfs/dbraw/zinc/19/13/42/567191342.db2.gz RZHLOFUGQBINCU-CABCVRRESA-N 0 1 377.330 3.277 20 0 GGADMN COc1cc(Br)c(CNC(=O)c2n[nH]c3ccccc32)cc1OC ZINC000524287156 567191660 /nfs/dbraw/zinc/19/16/60/567191660.db2.gz YZWGBKKBGMMBHO-UHFFFAOYSA-N 0 1 390.237 3.273 20 0 GGADMN Cc1cccc(CC[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])n1 ZINC000566802441 567192050 /nfs/dbraw/zinc/19/20/50/567192050.db2.gz HUZLKMIXJAJAOC-QGZVFWFLSA-N 0 1 375.266 3.207 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2cc3c(cc2SC)OCCO3)c1 ZINC000524300936 567192691 /nfs/dbraw/zinc/19/26/91/567192691.db2.gz WKRDENMJZXOOES-UHFFFAOYSA-N 0 1 381.475 3.127 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C(C)C)CC2)cc1I ZINC000474696140 567192777 /nfs/dbraw/zinc/19/27/77/567192777.db2.gz PXVCKBLXGFAPPO-UHFFFAOYSA-N 0 1 386.277 3.074 20 0 GGADMN O=C(c1c(Cl)cncc1Cl)N1CCC(CCCN2CCOCC2)CC1 ZINC000498633132 567193070 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Cc1cc(Br)ccc1NC(=O)CN(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432923625 567204428 /nfs/dbraw/zinc/20/44/28/567204428.db2.gz GWHSICODBHDQQV-UHFFFAOYSA-N 0 1 394.317 3.244 20 0 GGADMN CCOC(=O)CN(CCC(=O)Nc1cccc(Br)c1)CC(C)C ZINC000566965775 567205537 /nfs/dbraw/zinc/20/55/37/567205537.db2.gz FJSCUAUGOJDQST-UHFFFAOYSA-N 0 1 385.302 3.299 20 0 GGADMN CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H]1CCCN(C)C1 ZINC000498870627 567205937 /nfs/dbraw/zinc/20/59/37/567205937.db2.gz GFGRQOUJUVNPMR-INIZCTEOSA-N 0 1 381.314 3.355 20 0 GGADMN CC(C)(C)c1nc(C[S@@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)n[nH]1 ZINC000590054459 567206515 /nfs/dbraw/zinc/20/65/15/567206515.db2.gz BIOIGDRMRMVCQT-VWLOTQADSA-N 0 1 383.901 3.366 20 0 GGADMN Cn1cnc(S(=O)(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 ZINC000590066917 567206757 /nfs/dbraw/zinc/20/67/57/567206757.db2.gz ZSYOINRPGKCOQF-AWEZNQCLSA-N 0 1 375.416 3.300 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615815130 567207092 /nfs/dbraw/zinc/20/70/92/567207092.db2.gz 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567208207 /nfs/dbraw/zinc/20/82/07/567208207.db2.gz GQKUJMCQTZQNLV-UHFFFAOYSA-N 0 1 388.873 3.247 20 0 GGADMN CC(=O)Nc1nc(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000615814651 567208502 /nfs/dbraw/zinc/20/85/02/567208502.db2.gz WLGRNXLUZKROGU-MRVPVSSYSA-N 0 1 377.857 3.464 20 0 GGADMN Cn1cc(-c2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000432947603 567208450 /nfs/dbraw/zinc/20/84/50/567208450.db2.gz HGWCQIKOKQGUBD-UHFFFAOYSA-N 0 1 398.275 3.126 20 0 GGADMN Cc1cccn2c(CNCc3cc(Br)c4c(c3)OCCO4)cnc12 ZINC000524689718 567210319 /nfs/dbraw/zinc/21/03/19/567210319.db2.gz ISHKQEQEKPZPEX-UHFFFAOYSA-N 0 1 388.265 3.466 20 0 GGADMN C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000590158016 567210910 /nfs/dbraw/zinc/21/09/10/567210910.db2.gz XATARFUXXPIDFI-GUYCJALGSA-N 0 1 380.330 3.468 20 0 GGADMN CCN(Cc1ccc(Cl)s1)C(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC000637646726 567211462 /nfs/dbraw/zinc/21/14/62/567211462.db2.gz OEQJRSVLGLEJEJ-UHFFFAOYSA-N 0 1 383.905 3.145 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(CCCN2CCCC2=O)CC1 ZINC000524757572 567211314 /nfs/dbraw/zinc/21/13/14/567211314.db2.gz IGHYTVAIUVBEJF-INIZCTEOSA-N 0 1 394.357 3.140 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C ZINC000498921462 567211816 /nfs/dbraw/zinc/21/18/16/567211816.db2.gz DOGCBDOUJAAIGF-CHWSQXEVSA-N 0 1 379.302 3.414 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc(Br)s3)no2)C[C@@H]1C ZINC000498916866 567211926 /nfs/dbraw/zinc/21/19/26/567211926.db2.gz JHJAARFDOGULHB-WDEREUQCSA-N 0 1 385.331 3.475 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nnc(-c3ccccc3Br)o2)C[C@@H]1C ZINC000498929276 567212753 /nfs/dbraw/zinc/21/27/53/567212753.db2.gz NJVQCSCZMSPGOX-QWHCGFSZSA-N 0 1 379.302 3.414 20 0 GGADMN CSc1nsc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)n1 ZINC000454916873 567213055 /nfs/dbraw/zinc/21/30/55/567213055.db2.gz QGYMRLVIBDLROD-UHFFFAOYSA-N 0 1 383.465 3.141 20 0 GGADMN COCCN1CC[C@@H](N[C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000498922110 567213259 /nfs/dbraw/zinc/21/32/59/567213259.db2.gz BZPQRKZERIZQRT-AEFFLSMTSA-N 0 1 379.298 3.442 20 0 GGADMN CCN1C[C@H](C)N(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1C ZINC000498929275 567213564 /nfs/dbraw/zinc/21/35/64/567213564.db2.gz NJVQCSCZMSPGOX-OLZOCXBDSA-N 0 1 379.302 3.414 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000524792817 567215483 /nfs/dbraw/zinc/21/54/83/567215483.db2.gz PRKPWVCALRQGMF-JTQLQIEISA-N 0 1 375.694 3.268 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000567073852 567215830 /nfs/dbraw/zinc/21/58/30/567215830.db2.gz YLHPNDDRROISRG-RDTXWAMCSA-N 0 1 389.297 3.211 20 0 GGADMN Cc1csc(CCN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000684550683 567216345 /nfs/dbraw/zinc/21/63/45/567216345.db2.gz ZOBAPAWEMZKKDI-SECBINFHSA-N 0 1 394.349 3.299 20 0 GGADMN O=S(=O)(NCCNc1cc[nH+]c2c([O-])cccc12)c1ccc(Cl)s1 ZINC000684578429 567218069 /nfs/dbraw/zinc/21/80/69/567218069.db2.gz PYSYUSWFZBCVRR-UHFFFAOYSA-N 0 1 383.882 3.046 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000684588319 567218893 /nfs/dbraw/zinc/21/88/93/567218893.db2.gz BJSZTZHMPDUDJF-ACJLOTCBSA-N 0 1 382.913 3.318 20 0 GGADMN Cc1nnsc1CNC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000567100335 567219121 /nfs/dbraw/zinc/21/91/21/567219121.db2.gz SAJHGNFWYRONGL-OAHLLOKOSA-N 0 1 379.917 3.136 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCCOc1cccc(Br)c1 ZINC000590314219 567219248 /nfs/dbraw/zinc/21/92/48/567219248.db2.gz HQPSWZFIKMEGID-UHFFFAOYSA-N 0 1 380.286 3.389 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)Cc1ccccc1Cl ZINC000590297667 567219701 /nfs/dbraw/zinc/21/97/01/567219701.db2.gz SJJGJIUDDWDTRT-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000433083249 567220691 /nfs/dbraw/zinc/22/06/91/567220691.db2.gz OIHILSVMVCVYBM-DGCLKSJQSA-N 0 1 379.258 3.378 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CNC(C)(C)c1ccc(Br)cc1 ZINC000616012270 567220750 /nfs/dbraw/zinc/22/07/50/567220750.db2.gz RMUUSYRROWJMPJ-UHFFFAOYSA-N 0 1 379.302 3.263 20 0 GGADMN O=C(CCc1cc(F)ccc1Br)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433085744 567220911 /nfs/dbraw/zinc/22/09/11/567220911.db2.gz VXYKLRUEZKMQQW-UHFFFAOYSA-N 0 1 390.216 3.340 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000433086282 567220943 /nfs/dbraw/zinc/22/09/43/567220943.db2.gz ZUTKPLATWBFUFO-UONOGXRCSA-N 0 1 384.237 3.371 20 0 GGADMN CCC[C@]1(C(F)(F)F)CCCN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000499054355 567221008 /nfs/dbraw/zinc/22/10/08/567221008.db2.gz KIPXUBOYJFZGAX-OAHLLOKOSA-N 0 1 375.416 3.206 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000433082398 567221100 /nfs/dbraw/zinc/22/11/00/567221100.db2.gz KAJQZHIVBVPKOX-KGLIPLIRSA-N 0 1 384.237 3.371 20 0 GGADMN COc1cc(C)c(Br)cc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433086137 567221230 /nfs/dbraw/zinc/22/12/30/567221230.db2.gz XIWBLIJKHQTDDH-UHFFFAOYSA-N 0 1 388.225 3.199 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000433082397 567221273 /nfs/dbraw/zinc/22/12/73/567221273.db2.gz KAJQZHIVBVPKOX-KBPBESRZSA-N 0 1 384.237 3.371 20 0 GGADMN O=C(NC1CC1)[C@H](NCCOc1cccc(Br)c1)c1ccccc1 ZINC000616021121 567222006 /nfs/dbraw/zinc/22/20/06/567222006.db2.gz OPMYQFZXNGUBJL-GOSISDBHSA-N 0 1 389.293 3.437 20 0 GGADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)o2)c(Cl)c1 ZINC000567139827 567222235 /nfs/dbraw/zinc/22/22/35/567222235.db2.gz AANKLHOZUHTMKS-UHFFFAOYSA-N 0 1 386.901 3.003 20 0 GGADMN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433092882 567222465 /nfs/dbraw/zinc/22/24/65/567222465.db2.gz PHAIOEMYJXRAFX-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN CSC1(CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000433090439 567222586 /nfs/dbraw/zinc/22/25/86/567222586.db2.gz KYJUGHLUAQXNLM-LBPRGKRZSA-N 0 1 376.341 3.153 20 0 GGADMN COc1cccc([C@@H](N)C(=O)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000637881536 567222873 /nfs/dbraw/zinc/22/28/73/567222873.db2.gz NIRDZEZLKZHPLV-QGZVFWFLSA-N 0 1 393.281 3.125 20 0 GGADMN NS(=O)(=O)c1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1Cl ZINC000637887142 567224167 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O=C(CN1CC[C@@H](Cc2ccc(Br)cc2)C1)NCc1ccco1 ZINC000433299745 567240312 /nfs/dbraw/zinc/24/03/12/567240312.db2.gz CPNQDLZPRPDRMF-HNNXBMFYSA-N 0 1 377.282 3.223 20 0 GGADMN C[C@@H](CNC(=O)Cc1[nH]nc2ccccc21)Oc1cccc(Br)c1 ZINC000499344868 567240290 /nfs/dbraw/zinc/24/02/90/567240290.db2.gz DAOUIYGAEXMPJU-LBPRGKRZSA-N 0 1 388.265 3.452 20 0 GGADMN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H](C)N1CC(C)C1 ZINC000567364324 567240263 /nfs/dbraw/zinc/24/02/63/567240263.db2.gz GOETZWRLVVSOCE-BBRMVZONSA-N 0 1 381.314 3.461 20 0 GGADMN Cn1nccc1[C@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000525270423 567240813 /nfs/dbraw/zinc/24/08/13/567240813.db2.gz KVXRUINQVLDSRV-AWEZNQCLSA-N 0 1 381.261 3.404 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CCN(C)[C@H](C)[C@@H]3C)c2o1 ZINC000455163533 567241142 /nfs/dbraw/zinc/24/11/42/567241142.db2.gz HMSWHXOUQYISAU-ZJUUUORDSA-N 0 1 381.274 3.455 20 0 GGADMN O=C(C1CCC(NCc2ncc(C(F)(F)F)s2)CC1)N1CCSCC1 ZINC000433323514 567241644 /nfs/dbraw/zinc/24/16/44/567241644.db2.gz WTIZKILKMPQVMD-UHFFFAOYSA-N 0 1 393.500 3.386 20 0 GGADMN NC(=O)[C@H](N=c1nc(-c2ccccc2)[nH]s1)c1cccc(Br)c1 ZINC000475361248 567241937 /nfs/dbraw/zinc/24/19/37/567241937.db2.gz MIYBVBQZYIPOOC-CYBMUJFWSA-N 0 1 389.278 3.028 20 0 GGADMN NC(=O)[C@@H](N=c1nc(-c2ccccc2)[nH]s1)c1cccc(Br)c1 ZINC000475361250 567241996 /nfs/dbraw/zinc/24/19/96/567241996.db2.gz MIYBVBQZYIPOOC-ZDUSSCGKSA-N 0 1 389.278 3.028 20 0 GGADMN CS(=O)(=O)CC1(CN2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433313309 567242341 /nfs/dbraw/zinc/24/23/41/567242341.db2.gz UZSQLIBEMBSWPO-OAHLLOKOSA-N 0 1 386.355 3.138 20 0 GGADMN CCOCc1ccccc1CNCc1cnn2cc(Br)cnc12 ZINC000638329002 567242661 /nfs/dbraw/zinc/24/26/61/567242661.db2.gz OXVNIQBDKWGQIL-UHFFFAOYSA-N 0 1 375.270 3.318 20 0 GGADMN CCOC(=O)[C@@]1(NS(=O)(=O)c2sccc2Cl)CCc2ccccc21 ZINC000590747076 567243220 /nfs/dbraw/zinc/24/32/20/567243220.db2.gz OBVUKEXLYNPSJS-MRXNPFEDSA-N 0 1 385.894 3.085 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCC2CSC2)cc1 ZINC000616401405 567243405 /nfs/dbraw/zinc/24/34/05/567243405.db2.gz NCRMYEODASXUFL-UHFFFAOYSA-N 0 1 396.559 3.340 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1Br)OCCCO2 ZINC000590751878 567243643 /nfs/dbraw/zinc/24/36/43/567243643.db2.gz KBMXFUAKQONAME-OCCSQVGLSA-N 0 1 384.270 3.042 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCN2CCCC[C@H]2C1 ZINC000475368061 567243646 /nfs/dbraw/zinc/24/36/46/567243646.db2.gz ZLLGIGYYWOELMZ-YNEHKIRRSA-N 0 1 384.343 3.246 20 0 GGADMN COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1Cl ZINC000433354991 567243818 /nfs/dbraw/zinc/24/38/18/567243818.db2.gz UQQOTTUYCIPBPA-UHFFFAOYSA-N 0 1 385.917 3.498 20 0 GGADMN Brc1cc(NCc2[nH]nc3ccccc32)cnc1N1CCOCC1 ZINC000684905330 567244010 /nfs/dbraw/zinc/24/40/10/567244010.db2.gz SPDFVFJPKFDJSG-UHFFFAOYSA-N 0 1 388.269 3.169 20 0 GGADMN Brc1ccc2oc(CNCCc3nnc4n3CCCCC4)nc2c1 ZINC000638346068 567244799 /nfs/dbraw/zinc/24/47/99/567244799.db2.gz UABNLMSSOUYFEV-UHFFFAOYSA-N 0 1 390.285 3.241 20 0 GGADMN Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000433367157 567245145 /nfs/dbraw/zinc/24/51/45/567245145.db2.gz PZGBAPBSRUGAHA-UHFFFAOYSA-N 0 1 380.235 3.487 20 0 GGADMN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(F)c(I)c1 ZINC000590778086 567246039 /nfs/dbraw/zinc/24/60/39/567246039.db2.gz FOWFPTIJDPUJSB-SNVBAGLBSA-N 0 1 390.240 3.140 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000660006771 567246117 /nfs/dbraw/zinc/24/61/17/567246117.db2.gz COQVBKQKRNRAJX-LBPRGKRZSA-N 0 1 382.860 3.046 20 0 GGADMN Cc1cc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sn1 ZINC000638382980 567246555 /nfs/dbraw/zinc/24/65/55/567246555.db2.gz ZVIFGNDYRQNDRA-CQSZACIVSA-N 0 1 379.551 3.162 20 0 GGADMN Oc1ccc2c(c1)CCN(Cc1cc3c(c(Br)c1)OCO3)CC2 ZINC000590784570 567247847 /nfs/dbraw/zinc/24/78/47/567247847.db2.gz QJKACZUHADCTOQ-UHFFFAOYSA-N 0 1 376.250 3.484 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cccc(C)c2Br)CCN1CCOC ZINC000499427760 567248194 /nfs/dbraw/zinc/24/81/94/567248194.db2.gz MWHYDUGGFPOVNI-OAHLLOKOSA-N 0 1 383.330 3.330 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)cc(Cl)c2N)cc1 ZINC000638416230 567248431 /nfs/dbraw/zinc/24/84/31/567248431.db2.gz VQLXTRFWZQHOQZ-JTQLQIEISA-N 0 1 388.320 3.335 20 0 GGADMN CCCN1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000660028956 567248545 /nfs/dbraw/zinc/24/85/45/567248545.db2.gz ZKMKYJJGESCDKL-CYBMUJFWSA-N 0 1 395.750 3.006 20 0 GGADMN CCCN1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000660028957 567249034 /nfs/dbraw/zinc/24/90/34/567249034.db2.gz ZKMKYJJGESCDKL-ZDUSSCGKSA-N 0 1 395.750 3.006 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)sc1Br ZINC000433440146 567249311 /nfs/dbraw/zinc/24/93/11/567249311.db2.gz QJCYXAVTGVPXSN-WDEREUQCSA-N 0 1 391.287 3.188 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2C)CCN1CCOC ZINC000499452507 567249780 /nfs/dbraw/zinc/24/97/80/567249780.db2.gz CRZNBKUTVOJELP-MRXNPFEDSA-N 0 1 383.330 3.330 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000684979404 567249747 /nfs/dbraw/zinc/24/97/47/567249747.db2.gz UQFDPDLCDLOCKH-KCJDHBRGSA-N 0 1 389.297 3.211 20 0 GGADMN CCCN1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)CC1 ZINC000525457746 567249814 /nfs/dbraw/zinc/24/98/14/567249814.db2.gz BEBGGPXDPJOHCS-QGZVFWFLSA-N 0 1 397.357 3.199 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000684979398 567250015 /nfs/dbraw/zinc/25/00/15/567250015.db2.gz UQFDPDLCDLOCKH-DGVXXNCNSA-N 0 1 389.297 3.211 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000567480430 567250050 /nfs/dbraw/zinc/25/00/50/567250050.db2.gz NHGQHMYNIXRBAB-AWEZNQCLSA-N 0 1 377.286 3.124 20 0 GGADMN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1sccc1Br ZINC000547830783 567250542 /nfs/dbraw/zinc/25/05/42/567250542.db2.gz ZSEPBQRDQLKPRH-JTQLQIEISA-N 0 1 386.315 3.026 20 0 GGADMN CCC[C@@H]1CN(C(=O)CCc2ccccc2Br)CCN1CCOC ZINC000499459468 567251546 /nfs/dbraw/zinc/25/15/46/567251546.db2.gz XONJKYKEBOBJFM-QGZVFWFLSA-N 0 1 397.357 3.341 20 0 GGADMN Cc1cc(Br)cn2c(CNCC(=O)N3Cc4ccccc4C3)cnc12 ZINC000475490341 567251600 /nfs/dbraw/zinc/25/16/00/567251600.db2.gz BKNOZJAYXHENQL-UHFFFAOYSA-N 0 1 399.292 3.037 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)n[nH]1 ZINC000684982217 567251702 /nfs/dbraw/zinc/25/17/02/567251702.db2.gz FSVRKPHSWZTCOM-WDEREUQCSA-N 0 1 392.301 3.385 20 0 GGADMN C[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000685001157 567251726 /nfs/dbraw/zinc/25/17/26/567251726.db2.gz ORJZGZNBSGGISE-UHFFFAOYSA-N 0 1 399.285 3.377 20 0 GGADMN C[N@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000685001157 567251731 /nfs/dbraw/zinc/25/17/31/567251731.db2.gz ORJZGZNBSGGISE-UHFFFAOYSA-N 0 1 399.285 3.377 20 0 GGADMN Cn1cc(CCCN2CCN(Cc3cc(Br)ccc3F)CC2)cn1 ZINC000685006264 567252822 /nfs/dbraw/zinc/25/28/22/567252822.db2.gz BRVPZGPCVAIAFO-UHFFFAOYSA-N 0 1 395.320 3.072 20 0 GGADMN FC(F)(F)Cn1nnc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000685036155 567255335 /nfs/dbraw/zinc/25/53/35/567255335.db2.gz ABYPNSSOSBDJRK-UHFFFAOYSA-N 0 1 382.293 3.423 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000455268444 567255557 /nfs/dbraw/zinc/25/55/57/567255557.db2.gz KPOIYPUMUHUFTO-GFCCVEGCSA-N 0 1 398.301 3.184 20 0 GGADMN CCn1c(=O)c2c3c(sc2nc1SCCc1c[nH]nn1)C[C@@H](C)CC3 ZINC000567565534 567258483 /nfs/dbraw/zinc/25/84/83/567258483.db2.gz BRTQKSCIESDAOJ-JTQLQIEISA-N 0 1 375.523 3.056 20 0 GGADMN CC[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)N(CC)CC ZINC000525692441 567260005 /nfs/dbraw/zinc/26/00/05/567260005.db2.gz XRILTJNYEPCKAJ-OAHLLOKOSA-N 0 1 394.317 3.148 20 0 GGADMN CCCN1CCN(C(=O)c2cc(I)c(C)cc2C)CC1 ZINC000475599466 567260972 /nfs/dbraw/zinc/26/09/72/567260972.db2.gz DWDXMKDSJVVERV-UHFFFAOYSA-N 0 1 386.277 3.076 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1SCCC(N)=O ZINC000591044843 567261097 /nfs/dbraw/zinc/26/10/97/567261097.db2.gz SDWQBUGHPFIXLT-UHFFFAOYSA-N 0 1 384.910 3.417 20 0 GGADMN CC1(C)CCc2sc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)nc21 ZINC000567601679 567261261 /nfs/dbraw/zinc/26/12/61/567261261.db2.gz JYHLPUGSCISTSA-UHFFFAOYSA-N 0 1 375.475 3.009 20 0 GGADMN O=C(NC[C@H]1COCCN1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000638621572 567261693 /nfs/dbraw/zinc/26/16/93/567261693.db2.gz QHOSTOPBFZQOHR-VIFPVBQESA-N 0 1 378.803 3.292 20 0 GGADMN O=C(NC[C@@H]1COCCN1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000638621571 567261850 /nfs/dbraw/zinc/26/18/50/567261850.db2.gz QHOSTOPBFZQOHR-SECBINFHSA-N 0 1 378.803 3.292 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)sc1Cl ZINC000433625295 567263392 /nfs/dbraw/zinc/26/33/92/567263392.db2.gz LBRNVKCMBVNQQG-IUCAKERBSA-N 0 1 399.763 3.069 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Br)sc1Cl ZINC000433625295 567263396 /nfs/dbraw/zinc/26/33/96/567263396.db2.gz LBRNVKCMBVNQQG-IUCAKERBSA-N 0 1 399.763 3.069 20 0 GGADMN COc1c(NS(=O)(=O)CCC(C)(C)C)cc(Cl)cc1C(=O)N(C)C ZINC000567656523 567264267 /nfs/dbraw/zinc/26/42/67/567264267.db2.gz CQHPTLFFHNOCFU-UHFFFAOYSA-N 0 1 376.906 3.228 20 0 GGADMN C[C@H]1C[C@H](NC(=O)c2cccc(Br)c2O)C(=O)N1c1ccccc1 ZINC000525770662 567264707 /nfs/dbraw/zinc/26/47/07/567264707.db2.gz ZPZYZTPMJKAVET-NHYWBVRUSA-N 0 1 389.249 3.079 20 0 GGADMN O=C(CN1CCC[C@@]1(CO)Cc1ccccc1)NCc1ccc(Cl)s1 ZINC000475654219 567265648 /nfs/dbraw/zinc/26/56/48/567265648.db2.gz YBGBDUXFAAGRCU-IBGZPJMESA-N 0 1 378.925 3.087 20 0 GGADMN COc1ccc(C(=O)N2CCNC[C@H]2c2ccccc2)c(Br)c1 ZINC000567674742 567266153 /nfs/dbraw/zinc/26/61/53/567266153.db2.gz ALPOFGVHRILWTG-KRWDZBQOSA-N 0 1 375.266 3.244 20 0 GGADMN CC(C)(C)OC(=O)CCC(C)(C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000433674916 567266407 /nfs/dbraw/zinc/26/64/07/567266407.db2.gz MVWYFVFDMWJFCB-UHFFFAOYSA-N 0 1 381.416 3.283 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)C[C@H]2CCCC(F)(F)C2)o1 ZINC000685294994 567266714 /nfs/dbraw/zinc/26/67/14/567266714.db2.gz AQXZIWNMQZJFLX-HNNXBMFYSA-N 0 1 378.485 3.107 20 0 GGADMN CC1(CNS(=O)(=O)c2scc(Br)c2Br)CC1 ZINC000433689549 567267815 /nfs/dbraw/zinc/26/78/15/567267815.db2.gz PQCVVVCGCXINER-UHFFFAOYSA-N 0 1 389.134 3.352 20 0 GGADMN NS(=O)(=O)c1cc(CNCc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000685325098 567268564 /nfs/dbraw/zinc/26/85/64/567268564.db2.gz HQPGJEOWKGCKJI-UHFFFAOYSA-N 0 1 378.803 3.296 20 0 GGADMN Cc1[nH]c(=O)c(Br)cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000685325915 567268668 /nfs/dbraw/zinc/26/86/68/567268668.db2.gz QDMKFNCIACPFOC-FGWVZKOKSA-N 0 1 379.258 3.248 20 0 GGADMN CCc1cc(CNC[C@H](O)COc2ccc(Cl)cc2Br)on1 ZINC000567691139 567268703 /nfs/dbraw/zinc/26/87/03/567268703.db2.gz QBOUHTCNMUPYIH-LBPRGKRZSA-N 0 1 389.677 3.182 20 0 GGADMN CC(C)C[C@]1(CO)CCCN1CC(=O)Nc1ccc(Br)cc1F ZINC000475705835 567269753 /nfs/dbraw/zinc/26/97/53/567269753.db2.gz MVKBFWCLFIIHIP-KRWDZBQOSA-N 0 1 387.293 3.400 20 0 GGADMN CN(Cc1cccn1C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475700931 567269943 /nfs/dbraw/zinc/26/99/43/567269943.db2.gz KNCUXVQPAHRBNV-UHFFFAOYSA-N 0 1 378.314 3.256 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(-c4nccs4)n3)n2)c1 ZINC000685384600 567270736 /nfs/dbraw/zinc/27/07/36/567270736.db2.gz XHWWGEKGRQFKQD-UHFFFAOYSA-N 0 1 375.211 3.408 20 0 GGADMN C[C@@H]1C[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CO1 ZINC000685384319 567271031 /nfs/dbraw/zinc/27/10/31/567271031.db2.gz IOWDZNVYDATEOQ-SCZZXKLOSA-N 0 1 376.214 3.177 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000591275253 567271631 /nfs/dbraw/zinc/27/16/31/567271631.db2.gz JNRDEVZREYPHCZ-UHFFFAOYSA-N 0 1 380.275 3.288 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2Br)CC1 ZINC000475755491 567272670 /nfs/dbraw/zinc/27/26/70/567272670.db2.gz YLTYHRDAQMQBOG-OAHLLOKOSA-N 0 1 392.341 3.491 20 0 GGADMN C[C@]1(C(=O)Nc2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)CNCCO1 ZINC000638826919 567272708 /nfs/dbraw/zinc/27/27/08/567272708.db2.gz XMZRUGFWMSDRES-JRPNMDOOSA-N 0 1 377.432 3.296 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2Br)CC1 ZINC000475750762 567273095 /nfs/dbraw/zinc/27/30/95/567273095.db2.gz OWVQENKENRKQHU-DLBZAZTESA-N 0 1 392.341 3.181 20 0 GGADMN COc1ccc(Br)c(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1 ZINC000548008859 567273219 /nfs/dbraw/zinc/27/32/19/567273219.db2.gz KWVJQEOIWKRYLH-DLBZAZTESA-N 0 1 380.286 3.119 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(Br)c1 ZINC000685413646 567273358 /nfs/dbraw/zinc/27/33/58/567273358.db2.gz PCRBRHGNXCSKIO-KBPBESRZSA-N 0 1 397.235 3.233 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)C3CCCC3)cc2Br)CC1 ZINC000475750390 567273440 /nfs/dbraw/zinc/27/34/40/567273440.db2.gz UFASUWLPFQTBRT-UHFFFAOYSA-N 0 1 380.330 3.325 20 0 GGADMN O=C(CCCN1CCC[C@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000685417743 567274450 /nfs/dbraw/zinc/27/44/50/567274450.db2.gz QPROSSKYMAFQGT-INIZCTEOSA-N 0 1 379.298 3.155 20 0 GGADMN CC(=O)[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C1(C)C ZINC000548032035 567275296 /nfs/dbraw/zinc/27/52/96/567275296.db2.gz QEFKBRKNWFXFMT-QWHCGFSZSA-N 0 1 391.269 3.424 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(Br)c2c(c1)OCCO2 ZINC000685440973 567275384 /nfs/dbraw/zinc/27/53/84/567275384.db2.gz XVMHKGUIOYBXRF-AVVLXZEZSA-N 0 1 380.282 3.076 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc2cc(Br)ccc2c1)N(C)C1CC1 ZINC000475798355 567277025 /nfs/dbraw/zinc/27/70/25/567277025.db2.gz NZSZWMFVNQYSAK-LBPRGKRZSA-N 0 1 397.338 3.363 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@H]1COc2ccc(Br)cc21 ZINC000525963374 567277775 /nfs/dbraw/zinc/27/77/75/567277775.db2.gz JEOQBVWWYZKULF-AWEZNQCLSA-N 0 1 385.221 3.349 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC000617045721 567278084 /nfs/dbraw/zinc/27/80/84/567278084.db2.gz SVXWDHORBKQQDN-UHFFFAOYSA-N 0 1 376.463 3.152 20 0 GGADMN CCC[C@H](NC(=O)c1ccc(Br)c2cc(C)oc21)c1nn[nH]n1 ZINC000525961665 567278256 /nfs/dbraw/zinc/27/82/56/567278256.db2.gz DWPGDWUVTQTMHZ-LBPRGKRZSA-N 0 1 378.230 3.288 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000525953885 567278605 /nfs/dbraw/zinc/27/86/05/567278605.db2.gz KCOGCLAVGKAIGS-ZDUSSCGKSA-N 0 1 393.408 3.425 20 0 GGADMN COc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1Cl ZINC000660187656 567278957 /nfs/dbraw/zinc/27/89/57/567278957.db2.gz AOVKUOMZAZHEAQ-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN COc1cc(NC(=O)CNCc2cc(Br)cs2)cc(OC)c1 ZINC000433855551 567279068 /nfs/dbraw/zinc/27/90/68/567279068.db2.gz CMLLNFZCMZYYDP-UHFFFAOYSA-N 0 1 385.283 3.256 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)c(Br)c1 ZINC000475809051 567279176 /nfs/dbraw/zinc/27/91/76/567279176.db2.gz MEEZIRMTXJJGIM-UHFFFAOYSA-N 0 1 394.250 3.202 20 0 GGADMN O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000499871036 567279987 /nfs/dbraw/zinc/27/99/87/567279987.db2.gz BKEAAEBMFCAVHE-UHFFFAOYSA-N 0 1 388.147 3.179 20 0 GGADMN Cc1csc([C@H](C)CNC(=O)[C@](C)(N)c2ccc(Br)cc2)n1 ZINC000567826194 567281724 /nfs/dbraw/zinc/28/17/24/567281724.db2.gz UVNVHEKYZIKAHJ-QLJPJBMISA-N 0 1 382.327 3.308 20 0 GGADMN CCCSc1nsc(NC(=O)N2CCN(CCOC)[C@H](CCC)C2)n1 ZINC000499886246 567281707 /nfs/dbraw/zinc/28/17/07/567281707.db2.gz IAWVYUCINMUGGQ-CYBMUJFWSA-N 0 1 387.575 3.005 20 0 GGADMN Cc1csc([C@H](C)CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)n1 ZINC000567826191 567281930 /nfs/dbraw/zinc/28/19/30/567281930.db2.gz UVNVHEKYZIKAHJ-HWPZZCPQSA-N 0 1 382.327 3.308 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccccc2SC)cc(-n2cccn2)c1 ZINC000475836922 567282163 /nfs/dbraw/zinc/28/21/63/567282163.db2.gz UBRDLXPCWRAMQS-UHFFFAOYSA-N 0 1 375.475 3.404 20 0 GGADMN CC(C)(CC(N)=O)NCc1cccc(OCC(F)(F)F)c1Br ZINC000660275156 567283064 /nfs/dbraw/zinc/28/30/64/567283064.db2.gz QXBSJBUYCYNODI-UHFFFAOYSA-N 0 1 383.208 3.134 20 0 GGADMN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000567850579 567283359 /nfs/dbraw/zinc/28/33/59/567283359.db2.gz LWIZBLAICZDMBS-UHFFFAOYSA-N 0 1 390.130 3.034 20 0 GGADMN Cc1[nH]ncc1CCCN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000475859127 567283343 /nfs/dbraw/zinc/28/33/43/567283343.db2.gz YKWBTNFOUJQLHG-KRWDZBQOSA-N 0 1 381.263 3.425 20 0 GGADMN [NH3+][C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000567862164 567284725 /nfs/dbraw/zinc/28/47/25/567284725.db2.gz PYINFORUAMDHPN-PSASIEDQSA-N 0 1 399.713 3.037 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCN1C ZINC000526048782 567285923 /nfs/dbraw/zinc/28/59/23/567285923.db2.gz NFPCJXPZMHDLCE-XJKSGUPXSA-N 0 1 386.945 3.280 20 0 GGADMN Cc1nccn1-c1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000526051320 567286263 /nfs/dbraw/zinc/28/62/63/567286263.db2.gz GDIZXHLOWJZZBL-ZDUSSCGKSA-N 0 1 375.519 3.497 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCN1C ZINC000526048781 567286502 /nfs/dbraw/zinc/28/65/02/567286502.db2.gz NFPCJXPZMHDLCE-CZUORRHYSA-N 0 1 386.945 3.280 20 0 GGADMN C[C@@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)c1nnc[nH]1 ZINC000548189861 567286529 /nfs/dbraw/zinc/28/65/29/567286529.db2.gz INHSHEYBENGPJB-OQPBUACISA-N 0 1 382.237 3.218 20 0 GGADMN COCCOc1ccc(F)cc1S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000526050592 567286792 /nfs/dbraw/zinc/28/67/92/567286792.db2.gz ZSEOVEWGHKXKHH-ZDUSSCGKSA-N 0 1 387.395 3.106 20 0 GGADMN OC[C@H](NC[C@H](O)COCc1ccccc1Cl)c1cccc(Cl)c1F ZINC000499951234 567287143 /nfs/dbraw/zinc/28/71/43/567287143.db2.gz SHZJCKGJKUDSAQ-GUYCJALGSA-N 0 1 388.266 3.333 20 0 GGADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000685605069 567287482 /nfs/dbraw/zinc/28/74/82/567287482.db2.gz QIPHVFUMEIPVSF-DGCLKSJQSA-N 0 1 382.917 3.075 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455632567 567287484 /nfs/dbraw/zinc/28/74/84/567287484.db2.gz BGEQCELKDGPLQW-UHFFFAOYSA-N 0 1 381.782 3.082 20 0 GGADMN CC(C)(C)CC[C@@H](CO)NCc1cn(-c2ccccc2Br)nn1 ZINC000685621789 567287999 /nfs/dbraw/zinc/28/79/99/567287999.db2.gz HFRYRSSYVMQQKY-ZDUSSCGKSA-N 0 1 381.318 3.307 20 0 GGADMN COc1cc(Br)c(CNCCc2cccnc2OC)c(OC)c1 ZINC000685631932 567288189 /nfs/dbraw/zinc/28/81/89/567288189.db2.gz RKXWEUQSZRFNHH-UHFFFAOYSA-N 0 1 381.270 3.202 20 0 GGADMN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCN(CC2CC2)CC1 ZINC000455641251 567288374 /nfs/dbraw/zinc/28/83/74/567288374.db2.gz XMIPMQHLNVFSND-UHFFFAOYSA-N 0 1 379.302 3.281 20 0 GGADMN C[C@@H](OCC(=O)Nc1cc(Cl)cc(Br)c1O)c1nccn1C ZINC000499975084 567288961 /nfs/dbraw/zinc/28/89/61/567288961.db2.gz GAYCOLQEKIRVGE-MRVPVSSYSA-N 0 1 388.649 3.258 20 0 GGADMN CC(C)(CO)[C@@H](NCc1cnn2cc(Br)cnc12)c1ccccc1 ZINC000639110322 567289289 /nfs/dbraw/zinc/28/92/89/567289289.db2.gz NWERIEOOHPQJMU-INIZCTEOSA-N 0 1 389.297 3.341 20 0 GGADMN O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c([O-])cnc2c(Br)cccc21 ZINC000685622136 567289489 /nfs/dbraw/zinc/28/94/89/567289489.db2.gz DCMIXVRSMOLOJZ-RYUDHWBXSA-N 0 1 390.281 3.060 20 0 GGADMN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1c([O-])cnc2c(Br)cccc21 ZINC000685622136 567289494 /nfs/dbraw/zinc/28/94/94/567289494.db2.gz DCMIXVRSMOLOJZ-RYUDHWBXSA-N 0 1 390.281 3.060 20 0 GGADMN O[C@H]1[C@@H](CNCc2nc3cc(Br)ccc3o2)CCC12CCOCC2 ZINC000639142413 567290198 /nfs/dbraw/zinc/29/01/98/567290198.db2.gz CFXBUTAKFXFNBX-PXAZEXFGSA-N 0 1 395.297 3.248 20 0 GGADMN NC(=O)[C@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1cccc(Br)c1 ZINC000639122872 567290291 /nfs/dbraw/zinc/29/02/91/567290291.db2.gz GYECPPOPBNKKMR-CABCVRRESA-N 0 1 392.301 3.005 20 0 GGADMN NC(=O)Cc1ccc(CN[C@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000685655960 567290950 /nfs/dbraw/zinc/29/09/50/567290950.db2.gz GLQWDPDQJODPKG-INIZCTEOSA-N 0 1 377.257 3.393 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccc(C)c(Br)c1 ZINC000526084621 567291596 /nfs/dbraw/zinc/29/15/96/567291596.db2.gz IFLQGMMCBQWWOJ-UHFFFAOYSA-N 0 1 380.242 3.147 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)s1 ZINC000591683814 567291794 /nfs/dbraw/zinc/29/17/94/567291794.db2.gz VCYRHRBAQZPTSC-SSDOTTSWSA-N 0 1 378.397 3.163 20 0 GGADMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)ccc1OC(F)F ZINC000567940218 567292083 /nfs/dbraw/zinc/29/20/83/567292083.db2.gz PNSKORWKHVCGKW-ZANVPECISA-N 0 1 389.240 3.263 20 0 GGADMN C[C@@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)OCCc2sccc21 ZINC000685661817 567292308 /nfs/dbraw/zinc/29/23/08/567292308.db2.gz JVKBUYGWYQVLGL-QAPCUYQASA-N 0 1 381.494 3.183 20 0 GGADMN Cc1ccc(OCCN[C@H](C(N)=O)c2ccc(Br)cc2)c(C)c1 ZINC000591688743 567292349 /nfs/dbraw/zinc/29/23/49/567292349.db2.gz OSYVUNRLGJFMFU-KRWDZBQOSA-N 0 1 377.282 3.261 20 0 GGADMN CN1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2CCC(=O)C2)CC1 ZINC000567955242 567293512 /nfs/dbraw/zinc/29/35/12/567293512.db2.gz YREARLASDCNEKY-CQSZACIVSA-N 0 1 393.325 3.241 20 0 GGADMN CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000685760246 567294667 /nfs/dbraw/zinc/29/46/67/567294667.db2.gz XKVYTKRHXDBLDC-JTQLQIEISA-N 0 1 379.810 3.142 20 0 GGADMN CC(C)OCC[C@@H](O)CNCc1ccc(Cl)cc1I ZINC000591764733 567295182 /nfs/dbraw/zinc/29/51/82/567295182.db2.gz ILOBLOOTXWLVEZ-CYBMUJFWSA-N 0 1 397.684 3.210 20 0 GGADMN C[C@@H](O)C[C@H]1CCCCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660442235 567295955 /nfs/dbraw/zinc/29/59/55/567295955.db2.gz QRKPPWPWERQGEM-DGCLKSJQSA-N 0 1 380.286 3.134 20 0 GGADMN C[C@H](O)C[C@@H]1CCCCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660442234 567296386 /nfs/dbraw/zinc/29/63/86/567296386.db2.gz QRKPPWPWERQGEM-AAEUAGOBSA-N 0 1 380.286 3.134 20 0 GGADMN Cc1ccc(C[N@H+](CCc2cn[nH]n2)C[C@@H]2CCCO2)c(Br)c1 ZINC000660463533 567297132 /nfs/dbraw/zinc/29/71/32/567297132.db2.gz FAEXNJOAAPKNHE-INIZCTEOSA-N 0 1 379.302 3.099 20 0 GGADMN O=C(Cc1cccc(Br)c1)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000591806489 567298506 /nfs/dbraw/zinc/29/85/06/567298506.db2.gz YMLICWAJMSLYBG-UHFFFAOYSA-N 0 1 389.228 3.232 20 0 GGADMN O=C(Cc1cccc(Br)c1)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000591806489 567298511 /nfs/dbraw/zinc/29/85/11/567298511.db2.gz YMLICWAJMSLYBG-UHFFFAOYSA-N 0 1 389.228 3.232 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1Br ZINC000591807439 567298738 /nfs/dbraw/zinc/29/87/38/567298738.db2.gz PKPJKMGQHRURFD-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(F)cc1Br ZINC000591807439 567298745 /nfs/dbraw/zinc/29/87/45/567298745.db2.gz PKPJKMGQHRURFD-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=S(=O)(C1CCN(CCSc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000660483135 567298741 /nfs/dbraw/zinc/29/87/41/567298741.db2.gz LQFBPTNHPHDLDP-UHFFFAOYSA-N 0 1 388.986 3.322 20 0 GGADMN Cc1cc(CCC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000434216767 567298938 /nfs/dbraw/zinc/29/89/38/567298938.db2.gz IBZPUGRHDLHTDV-HOTGVXAUSA-N 0 1 397.357 3.306 20 0 GGADMN COc1ccc(CNC[C@@H](O)COc2ccccc2Br)c(F)c1 ZINC000568030288 567298945 /nfs/dbraw/zinc/29/89/45/567298945.db2.gz PZQCTYXCVIULRV-CYBMUJFWSA-N 0 1 384.245 3.126 20 0 GGADMN O=C(Cc1ccccc1I)Nc1ccc2nc[nH]c2c1 ZINC000434188651 567299135 /nfs/dbraw/zinc/29/91/35/567299135.db2.gz JGNBKZWASWKTPT-UHFFFAOYSA-N 0 1 377.185 3.349 20 0 GGADMN Nc1cccc(CN2CCN(Cc3cc(Br)ccc3F)CC2)c1 ZINC000660466887 567299205 /nfs/dbraw/zinc/29/92/05/567299205.db2.gz WQBPCYBMYPGSHP-UHFFFAOYSA-N 0 1 378.289 3.488 20 0 GGADMN CC(C)(C)OCc1cc(CNC(=O)c2cccc(Br)c2O)no1 ZINC000548254505 567299387 /nfs/dbraw/zinc/29/93/87/567299387.db2.gz BFRVWGYZWONFLP-UHFFFAOYSA-N 0 1 383.242 3.388 20 0 GGADMN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cnc[nH]1 ZINC000526950713 567299699 /nfs/dbraw/zinc/29/96/99/567299699.db2.gz LONYTLLAYSBTFP-ZDUSSCGKSA-N 0 1 394.269 3.002 20 0 GGADMN Cc1cc(CCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1Br ZINC000434216769 567300073 /nfs/dbraw/zinc/30/00/73/567300073.db2.gz IBZPUGRHDLHTDV-HZPDHXFCSA-N 0 1 397.357 3.306 20 0 GGADMN CN(CCN1CCCC1=O)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000526971057 567301393 /nfs/dbraw/zinc/30/13/93/567301393.db2.gz SXWUDTZXVKIWFD-UHFFFAOYSA-N 0 1 395.219 3.402 20 0 GGADMN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000476170162 567301480 /nfs/dbraw/zinc/30/14/80/567301480.db2.gz UKDSSNSHABTXPI-BZNIZROVSA-N 0 1 378.270 3.215 20 0 GGADMN CC(C)c1noc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000568073583 567302271 /nfs/dbraw/zinc/30/22/71/567302271.db2.gz GEHIVIRPTBIBPE-UONOGXRCSA-N 0 1 394.269 3.256 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccccc2Br)C1 ZINC000568073093 567302328 /nfs/dbraw/zinc/30/23/28/567302328.db2.gz UJLAMEXJXIBRQC-ZDUSSCGKSA-N 0 1 382.176 3.167 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000568073093 567302336 /nfs/dbraw/zinc/30/23/36/567302336.db2.gz UJLAMEXJXIBRQC-ZDUSSCGKSA-N 0 1 382.176 3.167 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCOCC1CCCC1 ZINC000568074005 567302354 /nfs/dbraw/zinc/30/23/54/567302354.db2.gz UBMKVMSGNCHEPM-KRWDZBQOSA-N 0 1 382.298 3.467 20 0 GGADMN Cc1c(Br)cc(C(=O)Nc2cc(F)cc(Cl)c2O)c(=O)n1C ZINC000434263607 567302436 /nfs/dbraw/zinc/30/24/36/567302436.db2.gz JCSNRUTXEBZAFJ-UHFFFAOYSA-N 0 1 389.608 3.207 20 0 GGADMN COc1ccc(C[NH+]2CCC(n3cc(C(=O)[O-])cn3)CC2)c(Br)c1 ZINC000568075173 567302671 /nfs/dbraw/zinc/30/26/71/567302671.db2.gz ZVNUABNZDFIZME-UHFFFAOYSA-N 0 1 394.269 3.190 20 0 GGADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000568073916 567302851 /nfs/dbraw/zinc/30/28/51/567302851.db2.gz QNIMNRWQGHRONE-INIZCTEOSA-N 0 1 394.320 3.200 20 0 GGADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000568073916 567302857 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Cc1nn(C)c(CN2CCCN3c4ccccc4C[C@H]3C2)c1Br ZINC000685849715 567304533 /nfs/dbraw/zinc/30/45/33/567304533.db2.gz QDPDBZQDWRATPV-HNNXBMFYSA-N 0 1 375.314 3.128 20 0 GGADMN C[C@H](CO)N(Cc1cn(-c2ccccc2Br)nn1)CC1CCC1 ZINC000685846738 567304953 /nfs/dbraw/zinc/30/49/53/567304953.db2.gz BHEIKKKTVBRDDC-CYBMUJFWSA-N 0 1 379.302 3.013 20 0 GGADMN CC(C)[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H](O)C(F)(F)F ZINC000660528692 567305738 /nfs/dbraw/zinc/30/57/38/567305738.db2.gz OUUFJMXWRFFMLS-JLUCKKNBSA-N 0 1 380.838 3.443 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCc2cc(Br)cc(F)c2C1 ZINC000527028911 567306344 /nfs/dbraw/zinc/30/63/44/567306344.db2.gz OBDHOTVVYPHXPC-UHFFFAOYSA-N 0 1 396.285 3.239 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@H](O)C(F)(F)F ZINC000660525850 567306577 /nfs/dbraw/zinc/30/65/77/567306577.db2.gz QCSSJCLZUMHIRA-NEBZKDRISA-N 0 1 378.460 3.338 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660524844 567306634 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CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476484552 567327503 /nfs/dbraw/zinc/32/75/03/567327503.db2.gz DPYRIBYNTAEXTJ-GOEBONIOSA-N 0 1 384.307 3.089 20 0 GGADMN CN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C(C)(C)C1 ZINC000500509858 567327797 /nfs/dbraw/zinc/32/77/97/567327797.db2.gz HRHZPTDSIZNSTD-UHFFFAOYSA-N 0 1 377.941 3.482 20 0 GGADMN CCN(CC(=O)NCc1ccc(I)c(Cl)c1)C1CC1 ZINC000501174753 567371635 /nfs/dbraw/zinc/37/16/35/567371635.db2.gz MEKDYUXUNQJTKC-UHFFFAOYSA-N 0 1 392.668 3.045 20 0 GGADMN CCCSc1nc(=NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)s[n-]1 ZINC000476488312 567328188 /nfs/dbraw/zinc/32/81/88/567328188.db2.gz UNKHCTVXNLWARP-NSHDSACASA-N 0 1 397.595 3.092 20 0 GGADMN CCCSc1nc(=NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)s[n-]1 ZINC000476488312 567328195 /nfs/dbraw/zinc/32/81/95/567328195.db2.gz UNKHCTVXNLWARP-NSHDSACASA-N 0 1 397.595 3.092 20 0 GGADMN C[C@@]1(CO)C[C@H](O)CN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000639853155 567328510 /nfs/dbraw/zinc/32/85/10/567328510.db2.gz DTPLUUXYTALUMP-KSSFIOAISA-N 0 1 377.897 3.034 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476499870 567328743 /nfs/dbraw/zinc/32/87/43/567328743.db2.gz OZULNMOKODZZPZ-JMSVASOKSA-N 0 1 384.307 3.088 20 0 GGADMN COC[C@H](NCc1cc(Br)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000434789567 567328860 /nfs/dbraw/zinc/32/88/60/567328860.db2.gz NBMVNSKOYWQEOO-JSGCOSHPSA-N 0 1 380.229 3.334 20 0 GGADMN COC(=O)[C@@](C)(CNC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000527314220 567329462 /nfs/dbraw/zinc/32/94/62/567329462.db2.gz OQDLOYFJKUGFQA-SFHVURJKSA-N 0 1 392.249 3.015 20 0 GGADMN COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000434787501 567329668 /nfs/dbraw/zinc/32/96/68/567329668.db2.gz QYIQEZGFNUZOCN-ZIAGYGMSSA-N 0 1 380.794 3.081 20 0 GGADMN O=C(CNCc1cc(Br)cs1)N[C@@H]1CCOc2ccccc21 ZINC000500550528 567330130 /nfs/dbraw/zinc/33/01/30/567330130.db2.gz ZIONXAJBBUQHAV-CQSZACIVSA-N 0 1 381.295 3.240 20 0 GGADMN COC[C@@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000434795811 567330395 /nfs/dbraw/zinc/33/03/95/567330395.db2.gz RJCNXVNOPZNFPF-OLZOCXBDSA-N 0 1 380.794 3.081 20 0 GGADMN Cc1cc(CNCC(=O)N[C@@H]2CCOc3ccccc32)ccc1Br ZINC000500544317 567330535 /nfs/dbraw/zinc/33/05/35/567330535.db2.gz IMTLREHXVJVBEM-QGZVFWFLSA-N 0 1 389.293 3.487 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cncc(F)c2)cc1Br ZINC000500565376 567330664 /nfs/dbraw/zinc/33/06/64/567330664.db2.gz HSMHBGDNODNYBI-UHFFFAOYSA-N 0 1 375.219 3.183 20 0 GGADMN COC[C@@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCCO1 ZINC000434795809 567330826 /nfs/dbraw/zinc/33/08/26/567330826.db2.gz RJCNXVNOPZNFPF-CHWSQXEVSA-N 0 1 380.794 3.081 20 0 GGADMN C[C@H](c1ccccc1Br)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660860225 567331132 /nfs/dbraw/zinc/33/11/32/567331132.db2.gz DPIKXZKAWSIXRO-CQSZACIVSA-N 0 1 396.329 3.016 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)C(C)C ZINC000592353739 567331858 /nfs/dbraw/zinc/33/18/58/567331858.db2.gz PRWMZQNPCFSLFK-HNNXBMFYSA-N 0 1 375.462 3.194 20 0 GGADMN CCOc1cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc(Br)c1OC ZINC000568476531 567331976 /nfs/dbraw/zinc/33/19/76/567331976.db2.gz YKIMORHBZRDWAO-DZGCQCFKSA-N 0 1 397.313 3.099 20 0 GGADMN CSCC[C@H](NC(=O)c1ccccc1Cl)c1nc([C@H]2CCCN2)no1 ZINC000592357705 567331943 /nfs/dbraw/zinc/33/19/43/567331943.db2.gz LKTVENNECIXQHA-KGLIPLIRSA-N 0 1 380.901 3.372 20 0 GGADMN Cc1cc(C)c(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)cc1I ZINC000476522703 567332074 /nfs/dbraw/zinc/33/20/74/567332074.db2.gz RRVXPXLPTFEREC-OLZOCXBDSA-N 0 1 386.277 3.073 20 0 GGADMN C[C@H](Oc1ccc(I)cc1)c1nc([C@@H]2CCCN2)no1 ZINC000592356195 567332583 /nfs/dbraw/zinc/33/25/83/567332583.db2.gz GOJNIUYDWHCUEX-CABZTGNLSA-N 0 1 385.205 3.239 20 0 GGADMN Clc1cc(I)ccc1-c1nc([C@H]2CCCN2)no1 ZINC000592356965 567332849 /nfs/dbraw/zinc/33/28/49/567332849.db2.gz NNYSEYCFJWQBPH-SNVBAGLBSA-N 0 1 375.597 3.419 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(I)c(C)cc2C)n[nH]1 ZINC000476545892 567333726 /nfs/dbraw/zinc/33/37/26/567333726.db2.gz VZKKOMQFYWTQBQ-SNVBAGLBSA-N 0 1 398.248 3.080 20 0 GGADMN CC(C)SCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000568495197 567333674 /nfs/dbraw/zinc/33/36/74/567333674.db2.gz ZCANQNONDRAAIM-ZDUSSCGKSA-N 0 1 378.357 3.399 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000476566645 567335777 /nfs/dbraw/zinc/33/57/77/567335777.db2.gz NJEKJXPUWWPMNE-OAHLLOKOSA-N 0 1 395.341 3.156 20 0 GGADMN COCCO[C@H]1COCC[C@@H]1NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000548597591 567336236 /nfs/dbraw/zinc/33/62/36/567336236.db2.gz MXBZYJGIBKRZSD-IRXDYDNUSA-N 0 1 382.913 3.374 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000568522926 567336252 /nfs/dbraw/zinc/33/62/52/567336252.db2.gz JGDRIMSKNSRTPG-HNNXBMFYSA-N 0 1 398.288 3.029 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000592408271 567336474 /nfs/dbraw/zinc/33/64/74/567336474.db2.gz HAMDPLYPFWNVGL-KNCCTNLNSA-N 0 1 383.319 3.155 20 0 GGADMN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000592403113 567336588 /nfs/dbraw/zinc/33/65/88/567336588.db2.gz OUJVKRPERYUIJO-LSDHHAIUSA-N 0 1 379.913 3.068 20 0 GGADMN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000592403111 567336656 /nfs/dbraw/zinc/33/66/56/567336656.db2.gz OUJVKRPERYUIJO-GJZGRUSLSA-N 0 1 379.913 3.068 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592408266 567336995 /nfs/dbraw/zinc/33/69/95/567336995.db2.gz HAMDPLYPFWNVGL-DTTOXWODSA-N 0 1 383.319 3.155 20 0 GGADMN CN(C(=O)CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C1CCCCC1 ZINC000548632882 567338485 /nfs/dbraw/zinc/33/84/85/567338485.db2.gz CLVNFTSUWKYTAZ-UHFFFAOYSA-N 0 1 380.901 3.313 20 0 GGADMN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000435041480 567338942 /nfs/dbraw/zinc/33/89/42/567338942.db2.gz IRRUUSTXGNYVNI-GOSISDBHSA-N 0 1 376.547 3.415 20 0 GGADMN CCCc1nc(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s[n-]1 ZINC000568568032 567339223 /nfs/dbraw/zinc/33/92/23/567339223.db2.gz BYCFLZCNFAAMFB-ZDUSSCGKSA-N 0 1 379.555 3.008 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000435029373 567339300 /nfs/dbraw/zinc/33/93/00/567339300.db2.gz XXSJBISTWBWDAD-INIZCTEOSA-N 0 1 376.444 3.014 20 0 GGADMN CCC(CC)[C@H](CNC(=O)c1cccc(Br)c1[O-])[NH+]1CCOCC1 ZINC000592449659 567339301 /nfs/dbraw/zinc/33/93/01/567339301.db2.gz AQSIPBYUZKRZOX-INIZCTEOSA-N 0 1 399.329 3.022 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Br)c2O)cc1 ZINC000592446815 567339726 /nfs/dbraw/zinc/33/97/26/567339726.db2.gz DWUJXLPFARMLQS-UHFFFAOYSA-N 0 1 377.238 3.174 20 0 GGADMN O[C@@H]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@@H]2CCCC[C@@H]12 ZINC000640091300 567340468 /nfs/dbraw/zinc/34/04/68/567340468.db2.gz MIUIBRXHRQOQKX-IJLUTSLNSA-N 0 1 382.258 3.218 20 0 GGADMN C[C@H](CO)[C@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000617854951 567341384 /nfs/dbraw/zinc/34/13/84/567341384.db2.gz JIYRELPZGGUYGO-TZMCWYRMSA-N 0 1 392.297 3.462 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)[nH]1 ZINC000476629257 567341409 /nfs/dbraw/zinc/34/14/09/567341409.db2.gz HOEHNASBFVCZLS-UHFFFAOYSA-N 0 1 383.264 3.336 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)n1 ZINC000476629257 567341415 /nfs/dbraw/zinc/34/14/15/567341415.db2.gz HOEHNASBFVCZLS-UHFFFAOYSA-N 0 1 383.264 3.336 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1OC ZINC000435129555 567342058 /nfs/dbraw/zinc/34/20/58/567342058.db2.gz KNAFCCWWLYKVRG-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000527566128 567342425 /nfs/dbraw/zinc/34/24/25/567342425.db2.gz QIJGZYTYMJFYFD-ATEUNZGCSA-N 0 1 379.251 3.021 20 0 GGADMN CN(C)Cc1cc(NC(=O)c2ccccc2NS(C)(=O)=O)ccc1Cl ZINC000500747196 567342585 /nfs/dbraw/zinc/34/25/85/567342585.db2.gz CXPCEYMFTSWXIL-UHFFFAOYSA-N 0 1 381.885 3.025 20 0 GGADMN CCC[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CCN1CCOC ZINC000500776347 567343182 /nfs/dbraw/zinc/34/31/82/567343182.db2.gz HDFWPZRATGWKON-KRWDZBQOSA-N 0 1 398.345 3.091 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435140697 567343970 /nfs/dbraw/zinc/34/39/70/567343970.db2.gz VGNRFZUSCNJGQG-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)cc1Cl ZINC000476711909 567345883 /nfs/dbraw/zinc/34/58/83/567345883.db2.gz DHKBSCLOTGZFNI-UHFFFAOYSA-N 0 1 381.929 3.087 20 0 GGADMN Cc1nn(C)c(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1Br ZINC000640163721 567346538 /nfs/dbraw/zinc/34/65/38/567346538.db2.gz USSOZLKPBCUVHC-CYBMUJFWSA-N 0 1 398.280 3.055 20 0 GGADMN Cc1ccc2ncc(CNCC(=O)Nc3ccc(Br)c(C)c3)n2c1 ZINC000435194135 567346628 /nfs/dbraw/zinc/34/66/28/567346628.db2.gz PYXOLTHTBJUOEN-UHFFFAOYSA-N 0 1 387.281 3.442 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCCc2ccc(-c3csc(C)n3)s2)n[nH]1 ZINC000476734028 567346931 /nfs/dbraw/zinc/34/69/31/567346931.db2.gz AHGZZRWMDMYVMF-SECBINFHSA-N 0 1 376.511 3.209 20 0 GGADMN CC(C)N(C)c1ccccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000500820937 567348049 /nfs/dbraw/zinc/34/80/49/567348049.db2.gz AQJCTIFJSHYIRF-UHFFFAOYSA-N 0 1 384.299 3.490 20 0 GGADMN O=C(CN[C@@H](CCO)c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 ZINC000568676842 567348383 /nfs/dbraw/zinc/34/83/83/567348383.db2.gz PTOLGLNHOXVHDE-SFHVURJKSA-N 0 1 381.303 3.365 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)CCCCc2ccc(Br)cc2)[C@H](C)C1 ZINC000476824507 567351885 /nfs/dbraw/zinc/35/18/85/567351885.db2.gz HVUOZFGQMCQNGW-HZPDHXFCSA-N 0 1 397.357 3.075 20 0 GGADMN CCOC(=O)[C@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000435246434 567352721 /nfs/dbraw/zinc/35/27/21/567352721.db2.gz QTEWIMUFYPUGPW-HNNXBMFYSA-N 0 1 392.297 3.410 20 0 GGADMN O=C(c1ccco1)N1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527634572 567353475 /nfs/dbraw/zinc/35/34/75/567353475.db2.gz AJWKSSHARCYCCW-UHFFFAOYSA-N 0 1 398.688 3.485 20 0 GGADMN CN1CCN(c2ccc(NCc3ncc(Cl)cc3Br)nc2)CC1 ZINC000527642574 567354766 /nfs/dbraw/zinc/35/47/66/567354766.db2.gz PTOPAMKTPHKKCP-UHFFFAOYSA-N 0 1 396.720 3.256 20 0 GGADMN CNS(=O)(=O)Cc1ccc(CNCc2ccsc2C(F)(F)F)cc1 ZINC000527643648 567355445 /nfs/dbraw/zinc/35/54/45/567355445.db2.gz WEYSNHPBBLKVOQ-UHFFFAOYSA-N 0 1 378.441 3.106 20 0 GGADMN CCc1cc(N2CCC[C@@H](NCc3ncc(Br)cc3F)C2)ncn1 ZINC000527659869 567355834 /nfs/dbraw/zinc/35/58/34/567355834.db2.gz SZDXXOFQIXMEDT-CQSZACIVSA-N 0 1 394.292 3.094 20 0 GGADMN O=C(CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000661201557 567356166 /nfs/dbraw/zinc/35/61/66/567356166.db2.gz CHPGDANNHSGFRZ-NTZNESFSSA-N 0 1 376.806 3.390 20 0 GGADMN COc1cccc(N2CC[C@H](NCc3ncc(Br)cc3F)C2)c1 ZINC000527654586 567356286 /nfs/dbraw/zinc/35/62/86/567356286.db2.gz TYBFNUSJRUGSQT-ZDUSSCGKSA-N 0 1 380.261 3.360 20 0 GGADMN Cc1ccc(N2CCC[C@H](NCc3ncc(Cl)cc3Br)C2)nn1 ZINC000527655873 567356313 /nfs/dbraw/zinc/35/63/13/567356313.db2.gz TWRCTERFJJCCBP-ZDUSSCGKSA-N 0 1 396.720 3.355 20 0 GGADMN COC(=O)c1c(Br)ccc(NC(=O)c2ccc3cncn3c2)c1C ZINC000568776002 567356746 /nfs/dbraw/zinc/35/67/46/567356746.db2.gz JBHPJIVSHGDNQC-UHFFFAOYSA-N 0 1 388.221 3.444 20 0 GGADMN CN(CC(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCSC1 ZINC000456278314 567358056 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CCOC(=O)[C@H](C)[C@@H](C)NCc1cc2c(cc1Br)OCCCO2 ZINC000548914802 567360186 /nfs/dbraw/zinc/36/01/86/567360186.db2.gz UYKIMMNJMJLTFP-VXGBXAGGSA-N 0 1 386.286 3.288 20 0 GGADMN O=C(c1cc(C(F)F)[nH]n1)N1CCN(c2cccc(Br)c2)CC1 ZINC000640275056 567360989 /nfs/dbraw/zinc/36/09/89/567360989.db2.gz PFTUKJLMWRBQHK-UHFFFAOYSA-N 0 1 385.212 3.072 20 0 GGADMN COc1ccc(Br)c(CNC[C@@H](O)COc2ccccc2C)c1 ZINC000548929125 567361209 /nfs/dbraw/zinc/36/12/09/567361209.db2.gz MAQIZDBPPJPNSC-OAHLLOKOSA-N 0 1 380.282 3.296 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000501047078 567361505 /nfs/dbraw/zinc/36/15/05/567361505.db2.gz ROSUWSXIHLPEHZ-UHFFFAOYSA-N 0 1 399.248 3.162 20 0 GGADMN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(Br)c(F)c2F)cn1 ZINC000527695698 567362715 /nfs/dbraw/zinc/36/27/15/567362715.db2.gz NZHRRGJHDFUSOP-XJKSGUPXSA-N 0 1 386.240 3.471 20 0 GGADMN Cn1cncc1[C@H]1C[C@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527693425 567363228 /nfs/dbraw/zinc/36/32/28/567363228.db2.gz DPIAYJJOKDLSOU-IAQYHMDHSA-N 0 1 385.693 3.241 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000456344693 567363669 /nfs/dbraw/zinc/36/36/69/567363669.db2.gz HLTQTYCIOYCFCM-STQMWFEESA-N 0 1 386.323 3.054 20 0 GGADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000435431564 567364018 /nfs/dbraw/zinc/36/40/18/567364018.db2.gz DVBKECKOAGYHGT-NSHDSACASA-N 0 1 395.750 3.254 20 0 GGADMN C[C@H]1N(C[C@H](O)COc2ccc(Cl)cc2Br)CCOC1(C)C ZINC000476997510 567363778 /nfs/dbraw/zinc/36/37/78/567363778.db2.gz RAWCTYQPLXUDMB-YPMHNXCESA-N 0 1 392.721 3.342 20 0 GGADMN C[C@@H]1CN(C2CCN(Cc3c(F)ccc(Br)c3F)CC2)CCO1 ZINC000501090281 567363808 /nfs/dbraw/zinc/36/38/08/567363808.db2.gz QLGKGYWKNBJROM-GFCCVEGCSA-N 0 1 389.284 3.412 20 0 GGADMN CC(C)OCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456360721 567364682 /nfs/dbraw/zinc/36/46/82/567364682.db2.gz BYDKONARJNZAFS-AWEZNQCLSA-N 0 1 398.345 3.343 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000456359549 567365032 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ZINC000435434601 567366532 /nfs/dbraw/zinc/36/65/32/567366532.db2.gz YQXCPSOUKZJTOO-GFCCVEGCSA-N 0 1 395.750 3.254 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cc[nH]c1 ZINC000456374084 567366633 /nfs/dbraw/zinc/36/66/33/567366633.db2.gz PQCZLTBLQFTCMB-GFCCVEGCSA-N 0 1 377.286 3.170 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cncs1 ZINC000456367207 567367024 /nfs/dbraw/zinc/36/70/24/567367024.db2.gz JXMADKRKJGHUKI-NSHDSACASA-N 0 1 395.326 3.298 20 0 GGADMN CCCN(C(=O)c1scc(C)c1I)[C@H]1CCN(C)C1 ZINC000592829516 567367016 /nfs/dbraw/zinc/36/70/16/567367016.db2.gz PBCOKLDHQKLENQ-NSHDSACASA-N 0 1 392.306 3.217 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CC(F)(F)F ZINC000456367149 567367329 /nfs/dbraw/zinc/36/73/29/567367329.db2.gz JOIXUNKQNLAYPH-SNVBAGLBSA-N 0 1 394.235 3.480 20 0 GGADMN CCCCOCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456367921 567367573 /nfs/dbraw/zinc/36/75/73/567367573.db2.gz KJLVRBLLTLOINK-CQSZACIVSA-N 0 1 398.345 3.345 20 0 GGADMN COCCCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456367110 567367649 /nfs/dbraw/zinc/36/76/49/567367649.db2.gz JJJSALYAYDQSQE-AWEZNQCLSA-N 0 1 398.345 3.345 20 0 GGADMN Cn1ccnc1[C@@H]1C[C@@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527716823 567367977 /nfs/dbraw/zinc/36/79/77/567367977.db2.gz RUTVZECBZYSBMN-FZMZJTMJSA-N 0 1 385.693 3.241 20 0 GGADMN C[C@H](NC(=O)c1cccc(Br)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000592845579 567367996 /nfs/dbraw/zinc/36/79/96/567367996.db2.gz YIJYSTLPVGKXTM-QMMMGPOBSA-N 0 1 376.210 3.228 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCCO1 ZINC000456377140 567368637 /nfs/dbraw/zinc/36/86/37/567368637.db2.gz STJSHUAUISAPHH-DYVFJYSZSA-N 0 1 396.329 3.097 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](O)CNCc1csc(-c2cnn(C)c2)n1 ZINC000527717241 567368753 /nfs/dbraw/zinc/36/87/53/567368753.db2.gz ULWHPOJTPVFBHR-HNNXBMFYSA-N 0 1 378.885 3.029 20 0 GGADMN CCOCCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456381957 567368923 /nfs/dbraw/zinc/36/89/23/567368923.db2.gz XGHDLOOCANPHFX-AWEZNQCLSA-N 0 1 398.345 3.345 20 0 GGADMN O=C(NCCc1cc(F)cc2c1OCOC2)c1cccc(Br)c1O ZINC000592841376 567368952 /nfs/dbraw/zinc/36/89/52/567368952.db2.gz MQABAXGPVFVRNZ-UHFFFAOYSA-N 0 1 396.212 3.133 20 0 GGADMN Cc1c[nH]cc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456379993 567369109 /nfs/dbraw/zinc/36/91/09/567369109.db2.gz VWZBHYTYFAPHEP-ZDUSSCGKSA-N 0 1 391.313 3.478 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)C[C@H]1CCCO1 ZINC000456382085 567369151 /nfs/dbraw/zinc/36/91/51/567369151.db2.gz XWIOMALWUSSMDU-UKRRQHHQSA-N 0 1 396.329 3.097 20 0 GGADMN CSCCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456375542 567369357 /nfs/dbraw/zinc/36/93/57/567369357.db2.gz RCIFCXFWHRSLKJ-LBPRGKRZSA-N 0 1 386.359 3.281 20 0 GGADMN O[C@@H](COCc1ccco1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376430 567369421 /nfs/dbraw/zinc/36/94/21/567369421.db2.gz BXWNFAYTZVFVRY-OAHLLOKOSA-N 0 1 385.291 3.286 20 0 GGADMN COC[C@@H](C)CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456376260 567369470 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ZINC000501211986 567371920 /nfs/dbraw/zinc/37/19/20/567371920.db2.gz YQBHKTSSUMOLQT-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2C[C@@H]2C2CC2)CC1 ZINC000501215578 567372453 /nfs/dbraw/zinc/37/24/53/567372453.db2.gz CZJVENJZQMWGIO-HUUCEWRRSA-N 0 1 378.314 3.186 20 0 GGADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000477124450 567372978 /nfs/dbraw/zinc/37/29/78/567372978.db2.gz GNJPGAOWJBQSCE-LLVKDONJSA-N 0 1 382.860 3.093 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCCC1 ZINC000477122185 567373044 /nfs/dbraw/zinc/37/30/44/567373044.db2.gz SZBCIJBHQJPLCN-GJZGRUSLSA-N 0 1 395.377 3.194 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1N1CCCC1 ZINC000477117735 567373080 /nfs/dbraw/zinc/37/30/80/567373080.db2.gz JMNFSUBFULXLRT-OLZOCXBDSA-N 0 1 395.377 3.194 20 0 GGADMN Cc1cncc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)c1 ZINC000501237004 567373736 /nfs/dbraw/zinc/37/37/36/567373736.db2.gz VNSMUOPAAXBGNZ-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCS2)CC1 ZINC000501230046 567374289 /nfs/dbraw/zinc/37/42/89/567374289.db2.gz UQFZKTIYSAXDKG-OAHLLOKOSA-N 0 1 384.343 3.035 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCCC1 ZINC000477134632 567374498 /nfs/dbraw/zinc/37/44/98/567374498.db2.gz IPCBYYQMRXOCGW-GJZGRUSLSA-N 0 1 395.377 3.194 20 0 GGADMN C[C@H](CO)[C@H]1CCCCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000661437030 567374681 /nfs/dbraw/zinc/37/46/81/567374681.db2.gz YAVWVCXFZISHRQ-IUODEOHRSA-N 0 1 380.286 3.482 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1N1CCCC1 ZINC000477142858 567375024 /nfs/dbraw/zinc/37/50/24/567375024.db2.gz ONGCMSZVNBQTPS-KGLIPLIRSA-N 0 1 395.377 3.194 20 0 GGADMN CN(Cc1n[nH]c(=O)o1)C(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000640421589 567376105 /nfs/dbraw/zinc/37/61/05/567376105.db2.gz KZOYTMCJYZGAAB-UHFFFAOYSA-N 0 1 380.242 3.008 20 0 GGADMN C[C@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)[C@@H]1CCO ZINC000661487918 567376718 /nfs/dbraw/zinc/37/67/18/567376718.db2.gz IHKUBDWZVVIGSL-SWLSCSKDSA-N 0 1 380.286 3.482 20 0 GGADMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1Cc1ccn(C)c(=O)c1 ZINC000661513436 567376851 /nfs/dbraw/zinc/37/68/51/567376851.db2.gz KFWUDZHSOANPOO-ACJLOTCBSA-N 0 1 377.282 3.110 20 0 GGADMN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cccc(Br)c1O ZINC000569076376 567377792 /nfs/dbraw/zinc/37/77/92/567377792.db2.gz TVBABPLMHWVACM-SWLSCSKDSA-N 0 1 377.238 3.200 20 0 GGADMN C[C@@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CCO ZINC000661487715 567377966 /nfs/dbraw/zinc/37/79/66/567377966.db2.gz HYHMPVCTCRKYHO-IUODEOHRSA-N 0 1 380.286 3.482 20 0 GGADMN O=C1CCC[C@@H](CNCc2cc(Br)sc2Br)N1 ZINC000641751744 567453684 /nfs/dbraw/zinc/45/36/84/567453684.db2.gz WVPVPCOCXVFDEI-QMMMGPOBSA-N 0 1 382.121 3.031 20 0 GGADMN CCCc1cc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)n[nH]1 ZINC000618362408 567381383 /nfs/dbraw/zinc/38/13/83/567381383.db2.gz DVACGPZFXVXTPQ-MRXNPFEDSA-N 0 1 378.270 3.338 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000527889651 567381495 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CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc(F)c(Br)cc2F)C1 ZINC000527871322 567382229 /nfs/dbraw/zinc/38/22/29/567382229.db2.gz IFSIAIFIODEPOU-VHSXEESVSA-N 0 1 376.245 3.182 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)n[nH]1 ZINC000477245696 567383007 /nfs/dbraw/zinc/38/30/07/567383007.db2.gz VWXWZIOELCWJJZ-SNVBAGLBSA-N 0 1 390.285 3.339 20 0 GGADMN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1cc(F)c(Br)cc1F ZINC000527897376 567383282 /nfs/dbraw/zinc/38/32/82/567383282.db2.gz HBDSSKXHDFIGAQ-NXEZZACHSA-N 0 1 382.270 3.203 20 0 GGADMN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cc(F)c(Br)cc1F ZINC000527897379 567383412 /nfs/dbraw/zinc/38/34/12/567383412.db2.gz HBDSSKXHDFIGAQ-ZJUUUORDSA-N 0 1 382.270 3.203 20 0 GGADMN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000569164909 567383636 /nfs/dbraw/zinc/38/36/36/567383636.db2.gz PDAPDDCKIZZXRA-UHFFFAOYSA-N 0 1 375.475 3.189 20 0 GGADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)CN(C)[C@@H]1CCSC1 ZINC000501362947 567383744 /nfs/dbraw/zinc/38/37/44/567383744.db2.gz ZKXLPQGVRPWLGG-MLGOLLRUSA-N 0 1 383.355 3.160 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000477259367 567384575 /nfs/dbraw/zinc/38/45/75/567384575.db2.gz BVVLYCIRXOVYER-ZJUUUORDSA-N 0 1 399.264 3.474 20 0 GGADMN CCC[C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OCC ZINC000527932751 567384762 /nfs/dbraw/zinc/38/47/62/567384762.db2.gz PKMUXEZLPMZHRP-HIFRSBDPSA-N 0 1 390.343 3.462 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)N2CCc3ccc(Br)cc3C2)c1 ZINC000640569790 567384922 /nfs/dbraw/zinc/38/49/22/567384922.db2.gz CBCSWJYXIXQYFV-UHFFFAOYSA-N 0 1 389.297 3.496 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)N2Cc3cccc(Br)c3C2)c1 ZINC000640571090 567385304 /nfs/dbraw/zinc/38/53/04/567385304.db2.gz FWKXSGFGNYCIIK-UHFFFAOYSA-N 0 1 375.270 3.453 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)c2[nH]1 ZINC000549322923 567385389 /nfs/dbraw/zinc/38/53/89/567385389.db2.gz BMFYDMAHJCQWAN-UHFFFAOYSA-N 0 1 378.841 3.149 20 0 GGADMN CCOC(=O)c1csc(N(C)C(=O)C(C[C@H]2CCCO2)C(F)(F)F)n1 ZINC000593081932 567385267 /nfs/dbraw/zinc/38/52/67/567385267.db2.gz PCNLRFBKPPXPSK-NXEZZACHSA-N 0 1 380.388 3.030 20 0 GGADMN CCC[C@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)OCC ZINC000527932762 567385356 /nfs/dbraw/zinc/38/53/56/567385356.db2.gz PKMUXEZLPMZHRP-UKRRQHHQSA-N 0 1 390.343 3.462 20 0 GGADMN CC(C)CN1CCO[C@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000501406309 567385996 /nfs/dbraw/zinc/38/59/96/567385996.db2.gz NGEDEZYUKXMEJC-GFCCVEGCSA-N 0 1 377.273 3.174 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000640574922 567386104 /nfs/dbraw/zinc/38/61/04/567386104.db2.gz ALYIBSMDBOSZAM-AWEZNQCLSA-N 0 1 383.279 3.305 20 0 GGADMN O=S(=O)(Nc1cc2c(cc1Br)CCC2)c1cn2c(n1)CCCC2 ZINC000435734878 567386145 /nfs/dbraw/zinc/38/61/45/567386145.db2.gz IDUCLXXAHPYHNH-UHFFFAOYSA-N 0 1 396.310 3.271 20 0 GGADMN COc1cc([C@@H](C)NCCCS(=O)(=O)c2ccc(Cl)cc2)c(F)cn1 ZINC000569206088 567386290 /nfs/dbraw/zinc/38/62/90/567386290.db2.gz CCUVEAMDFCNKAJ-GFCCVEGCSA-N 0 1 386.876 3.397 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)COc2ccc(F)cc2Br)n[nH]1 ZINC000477295591 567386924 /nfs/dbraw/zinc/38/69/24/567386924.db2.gz GASGATPWQUZFOZ-SECBINFHSA-N 0 1 385.237 3.086 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@H]1C(=O)[O-] ZINC000593288882 567403483 /nfs/dbraw/zinc/40/34/83/567403483.db2.gz QIFOQGZOSVRAPY-BXKDBHETSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@H]1C(=O)[O-] ZINC000593288882 567403488 /nfs/dbraw/zinc/40/34/88/567403488.db2.gz QIFOQGZOSVRAPY-BXKDBHETSA-N 0 1 393.652 3.487 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCCOc2cccc(Br)c2)n[nH]1 ZINC000477300196 567387471 /nfs/dbraw/zinc/38/74/71/567387471.db2.gz RKCLRGSRYZSUQK-LLVKDONJSA-N 0 1 381.274 3.166 20 0 GGADMN O=C(CCN[C@H]1COc2cc(F)c(Br)cc21)Nc1cccnc1 ZINC000569214912 567387797 /nfs/dbraw/zinc/38/77/97/567387797.db2.gz XNPZUZMTGGBOFZ-AWEZNQCLSA-N 0 1 380.217 3.035 20 0 GGADMN COc1ccc(Br)c(CC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000477325988 567387869 /nfs/dbraw/zinc/38/78/69/567387869.db2.gz VFBQNEMHRILFKS-SNVBAGLBSA-N 0 1 381.274 3.119 20 0 GGADMN Brc1cncc(Br)c1CN1CCN(C2CCC2)CC1 ZINC000569231187 567388296 /nfs/dbraw/zinc/38/82/96/567388296.db2.gz WXUCSLWEURUKKT-UHFFFAOYSA-N 0 1 389.135 3.277 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000456523120 567388322 /nfs/dbraw/zinc/38/83/22/567388322.db2.gz FEYBHEUOLFMDBV-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000456517648 567388488 /nfs/dbraw/zinc/38/84/88/567388488.db2.gz GGWUBILZDPYYJF-AWEZNQCLSA-N 0 1 391.313 3.191 20 0 GGADMN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000477315616 567388643 /nfs/dbraw/zinc/38/86/43/567388643.db2.gz RVUAGUYPAYNCOA-UHFFFAOYSA-N 0 1 399.222 3.111 20 0 GGADMN Cc1c([C@@H](C)NCC23CC(C2)CO3)nnn1-c1cccc(Br)c1 ZINC000527985243 567388580 /nfs/dbraw/zinc/38/85/80/567388580.db2.gz UDSIWEMJCYZZHT-FFLHNBHYSA-N 0 1 377.286 3.168 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2csc(I)c2)n[nH]1 ZINC000477322411 567388806 /nfs/dbraw/zinc/38/88/06/567388806.db2.gz NCWRATPNLPODLW-SSDOTTSWSA-N 0 1 390.250 3.085 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Br)c2)n[nH]1 ZINC000477326766 567388865 /nfs/dbraw/zinc/38/88/65/567388865.db2.gz WKFLQIHDCAZSIV-WDEREUQCSA-N 0 1 381.274 3.335 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(I)cc(C)c2C)n[nH]1 ZINC000477308927 567388952 /nfs/dbraw/zinc/38/89/52/567388952.db2.gz OMPYKDBUMHWUMJ-SNVBAGLBSA-N 0 1 398.248 3.080 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000569248032 567389217 /nfs/dbraw/zinc/38/92/17/567389217.db2.gz YQGYVDYWPCPCDL-IAGOWNOFSA-N 0 1 381.314 3.051 20 0 GGADMN COC1(CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC1 ZINC000549405396 567389306 /nfs/dbraw/zinc/38/93/06/567389306.db2.gz ORJJQQNTIVXPSO-UHFFFAOYSA-N 0 1 381.314 3.166 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000618455865 567389429 /nfs/dbraw/zinc/38/94/29/567389429.db2.gz ASFKWSRDYJMQSU-LSDHHAIUSA-N 0 1 390.277 3.393 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n[nH]1 ZINC000477340272 567389497 /nfs/dbraw/zinc/38/94/97/567389497.db2.gz QGRULAZCBIOHMZ-VIFPVBQESA-N 0 1 379.251 3.351 20 0 GGADMN COC1(CCN2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 ZINC000549398155 567389627 /nfs/dbraw/zinc/38/96/27/567389627.db2.gz QMZVQKTVSJRBBU-UHFFFAOYSA-N 0 1 392.974 3.057 20 0 GGADMN Cc1ccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1I ZINC000477337847 567390296 /nfs/dbraw/zinc/39/02/96/567390296.db2.gz LMLGWALTMSJHAJ-SNVBAGLBSA-N 0 1 398.248 3.332 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000456561161 567390684 /nfs/dbraw/zinc/39/06/84/567390684.db2.gz ULQCWGLBOLCNIR-MLGOLLRUSA-N 0 1 381.929 3.086 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@@H]1C(=O)[O-] ZINC000593288886 567403525 /nfs/dbraw/zinc/40/35/25/567403525.db2.gz QIFOQGZOSVRAPY-SKDRFNHKSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@@H]1C(=O)[O-] ZINC000593288886 567403529 /nfs/dbraw/zinc/40/35/29/567403529.db2.gz QIFOQGZOSVRAPY-SKDRFNHKSA-N 0 1 393.652 3.487 20 0 GGADMN CNC(C)(C)c1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1 ZINC000640754259 567392056 /nfs/dbraw/zinc/39/20/56/567392056.db2.gz DFQAFFSLGAICJD-UHFFFAOYSA-N 0 1 375.782 3.044 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000456567040 567392165 /nfs/dbraw/zinc/39/21/65/567392165.db2.gz ZDDLRRVQYYUKST-CQSZACIVSA-N 0 1 383.330 3.333 20 0 GGADMN CN1CCCC[C@@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000618475627 567392863 /nfs/dbraw/zinc/39/28/63/567392863.db2.gz AEJDZHWVORNCGA-CYBMUJFWSA-N 0 1 392.668 3.045 20 0 GGADMN O[C@H](COCc1ccco1)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466371 567393152 /nfs/dbraw/zinc/39/31/52/567393152.db2.gz FBRPYROLWMKYGL-TUAOUCFPSA-N 0 1 375.309 3.220 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CC1)NC(=O)NC1CCCCC1 ZINC000477436167 567395031 /nfs/dbraw/zinc/39/50/31/567395031.db2.gz KJULBXRYLVCTLB-UHFFFAOYSA-N 0 1 394.313 3.186 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2cscc2Cl)CC1 ZINC000640783422 567395478 /nfs/dbraw/zinc/39/54/78/567395478.db2.gz RSTRMEYDIHADDY-UHFFFAOYSA-N 0 1 386.949 3.150 20 0 GGADMN O=S(=O)(Cc1ccon1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000569321261 567396519 /nfs/dbraw/zinc/39/65/19/567396519.db2.gz KWWMJGLTZZLZND-OAHLLOKOSA-N 0 1 380.857 3.261 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000618535027 567396656 /nfs/dbraw/zinc/39/66/56/567396656.db2.gz SNQJAWHXEYSKRL-HSZRJFAPSA-N 0 1 395.322 3.227 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000618533298 567397136 /nfs/dbraw/zinc/39/71/36/567397136.db2.gz HFDXVNYYLIHBJQ-ZLOXQWCVSA-N 0 1 395.322 3.446 20 0 GGADMN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000435938945 567397084 /nfs/dbraw/zinc/39/70/84/567397084.db2.gz TYPAPTGEPUWPJB-UHFFFAOYSA-N 0 1 379.438 3.074 20 0 GGADMN CN[C@@H](C)c1cn([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640818409 567397281 /nfs/dbraw/zinc/39/72/81/567397281.db2.gz BZGAITAORGEWLV-DTWKUNHWSA-N 0 1 375.782 3.430 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000593215325 567397865 /nfs/dbraw/zinc/39/78/65/567397865.db2.gz CWCWNDUIHIOOMY-AHCXZYCDSA-N 0 1 383.319 3.155 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000593215327 567398091 /nfs/dbraw/zinc/39/80/91/567398091.db2.gz CWCWNDUIHIOOMY-LMSBXDPUSA-N 0 1 383.319 3.155 20 0 GGADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCc1cccs1 ZINC000477495299 567398097 /nfs/dbraw/zinc/39/80/97/567398097.db2.gz VDOPIXMPYSNNIU-SFHVURJKSA-N 0 1 378.563 3.217 20 0 GGADMN O=C(Cc1cc(Cl)ccc1Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000549578587 567398936 /nfs/dbraw/zinc/39/89/36/567398936.db2.gz VQSIBIJRIMYLCE-UHFFFAOYSA-N 0 1 385.335 3.497 20 0 GGADMN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)CCCCc1cn[nH]n1 ZINC000569374155 567399072 /nfs/dbraw/zinc/39/90/72/567399072.db2.gz SBXTYAMZGMPPBJ-UHFFFAOYSA-N 0 1 386.283 3.193 20 0 GGADMN CCNCc1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640888505 567399561 /nfs/dbraw/zinc/39/95/61/567399561.db2.gz WHTIUWPSPYVMHT-SECBINFHSA-N 0 1 375.782 3.260 20 0 GGADMN CN[C@@H](C)c1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640887382 567399688 /nfs/dbraw/zinc/39/96/88/567399688.db2.gz OGVGARWEZPUDOR-IUCAKERBSA-N 0 1 375.782 3.430 20 0 GGADMN CCNCc1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640888506 567400114 /nfs/dbraw/zinc/40/01/14/567400114.db2.gz WHTIUWPSPYVMHT-VIFPVBQESA-N 0 1 375.782 3.260 20 0 GGADMN CCOC[C@@H]1CN(c2ccnc3cc(OC)c(Br)cc32)CCO1 ZINC000528189434 567400564 /nfs/dbraw/zinc/40/05/64/567400564.db2.gz GJJCEHFUDBJJTL-LBPRGKRZSA-N 0 1 381.270 3.248 20 0 GGADMN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000501643564 567401033 /nfs/dbraw/zinc/40/10/33/567401033.db2.gz BQDLHHYBQAQOCK-AWEZNQCLSA-N 0 1 392.253 3.036 20 0 GGADMN Cc1ccc(I)cc1NC(=O)c1conc1C(C)(C)N ZINC000569378355 567401420 /nfs/dbraw/zinc/40/14/20/567401420.db2.gz OUYFNHPKZPJHQB-UHFFFAOYSA-N 0 1 385.205 3.034 20 0 GGADMN O=S(=O)(Nc1c[nH]nc1-c1ccccc1F)c1cncc(Br)c1 ZINC000549607862 567401864 /nfs/dbraw/zinc/40/18/64/567401864.db2.gz UJKVINHAPWMIKI-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000593307810 567406018 /nfs/dbraw/zinc/40/60/18/567406018.db2.gz RCNMMKQVOUHTSX-INIZCTEOSA-N 0 1 377.535 3.059 20 0 GGADMN O=S(=O)(c1csc(-c2ccccc2)n1)N1CCC[C@@H]1CN1CCCC1 ZINC000593307818 567406241 /nfs/dbraw/zinc/40/62/41/567406241.db2.gz RCNMMKQVOUHTSX-MRXNPFEDSA-N 0 1 377.535 3.059 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1Br)NCCN1CC=CCC1 ZINC000477627403 567406322 /nfs/dbraw/zinc/40/63/22/567406322.db2.gz RRVRTXPBYAQQGS-UHFFFAOYSA-N 0 1 387.705 3.250 20 0 GGADMN CN[C@H](C)c1cn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640997843 567406804 /nfs/dbraw/zinc/40/68/04/567406804.db2.gz FIWUHHCMNWRLTC-BDJLRTHQSA-N 0 1 382.295 3.229 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)NCCN3CC=CCC3)c2c1C ZINC000477653444 567406982 /nfs/dbraw/zinc/40/69/82/567406982.db2.gz JRLYKEADNCYESG-UHFFFAOYSA-N 0 1 376.551 3.168 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)[C@@H](C(=O)[O-])C1 ZINC000569465814 567407027 /nfs/dbraw/zinc/40/70/27/567407027.db2.gz JOOMXULQGSDARL-SMDDNHRTSA-N 0 1 384.270 3.296 20 0 GGADMN O=C(CCCCOc1ccc(Br)cc1)NCCN1CC=CCC1 ZINC000477644470 567407017 /nfs/dbraw/zinc/40/70/17/567407017.db2.gz MLPDVSJSNJVTFQ-UHFFFAOYSA-N 0 1 381.314 3.376 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000436126121 567407840 /nfs/dbraw/zinc/40/78/40/567407840.db2.gz JESPBSSDPVYENZ-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN C[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCN1CC(C)(C)O ZINC000436130934 567408123 /nfs/dbraw/zinc/40/81/23/567408123.db2.gz RFEPDQLWKVZUIZ-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ncc(CSC)s3)C2)c1 ZINC000549764258 567409047 /nfs/dbraw/zinc/40/90/47/567409047.db2.gz ONKDBLDPCIELOE-CYBMUJFWSA-N 0 1 379.551 3.392 20 0 GGADMN O=C(Nc1cccc(NS(=O)(=O)c2cncc(F)c2)c1)c1cccs1 ZINC000501859398 567409366 /nfs/dbraw/zinc/40/93/66/567409366.db2.gz XKKPNUGHVSHGCF-UHFFFAOYSA-N 0 1 377.422 3.335 20 0 GGADMN O=C(Cc1cc(Cl)cc(Cl)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000528315439 567409657 /nfs/dbraw/zinc/40/96/57/567409657.db2.gz MDZIFDYWOLSWSW-UHFFFAOYSA-N 0 1 385.335 3.497 20 0 GGADMN N[C@@H](c1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1)[C@H]1CCCO1 ZINC000641113377 567411981 /nfs/dbraw/zinc/41/19/81/567411981.db2.gz CJUJPXLZZWQTAE-WBVHZDCISA-N 0 1 375.885 3.282 20 0 GGADMN N[C@H](c1cn(Cc2nc(-c3ccccc3Cl)cs2)nn1)[C@@H]1CCCO1 ZINC000641113374 567412917 /nfs/dbraw/zinc/41/29/17/567412917.db2.gz CJUJPXLZZWQTAE-DOTOQJQBSA-N 0 1 375.885 3.282 20 0 GGADMN CCNC(=O)[C@@H](NCc1cn(-c2ccc(Br)cc2)nc1C)C(C)C ZINC000549842854 567413467 /nfs/dbraw/zinc/41/34/67/567413467.db2.gz ALVCSBFCCXEKTJ-KRWDZBQOSA-N 0 1 393.329 3.194 20 0 GGADMN CCc1nn(C)c(CC)c1CNCC(=O)Nc1ccc(Br)c(C)c1 ZINC000549867768 567414953 /nfs/dbraw/zinc/41/49/53/567414953.db2.gz FLTXMPDQUBDILM-UHFFFAOYSA-N 0 1 393.329 3.344 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000549867886 567415088 /nfs/dbraw/zinc/41/50/88/567415088.db2.gz ZQHCALREZZYZGM-SOUVJXGZSA-N 0 1 398.345 3.309 20 0 GGADMN CC1=CCN(CCNC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000501961547 567415354 /nfs/dbraw/zinc/41/53/54/567415354.db2.gz OSOYSOHBTPDKTG-QGZVFWFLSA-N 0 1 386.323 3.368 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000549895586 567416461 /nfs/dbraw/zinc/41/64/61/567416461.db2.gz IPSFWJMHFFLDAE-UHFFFAOYSA-N 0 1 383.589 3.037 20 0 GGADMN C[C@@H]1[C@@H](C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@H]1C1CC1 ZINC000528368306 567416634 /nfs/dbraw/zinc/41/66/34/567416634.db2.gz WOXFQFITDFHEPU-TZTCFGBESA-N 0 1 375.270 3.143 20 0 GGADMN C[C@@H]1[C@@H](C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]1C1CC1 ZINC000528368306 567416642 /nfs/dbraw/zinc/41/66/42/567416642.db2.gz WOXFQFITDFHEPU-TZTCFGBESA-N 0 1 375.270 3.143 20 0 GGADMN Cn1nccc1[C@@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000502065719 567417357 /nfs/dbraw/zinc/41/73/57/567417357.db2.gz FOBZDLASXAKUHP-GFCCVEGCSA-N 0 1 378.270 3.291 20 0 GGADMN OC[C@@H](CNCc1ncc(I)s1)C1CCCCC1 ZINC000550275143 567438244 /nfs/dbraw/zinc/43/82/44/567438244.db2.gz UDQBJGBMDCJWOU-LLVKDONJSA-N 0 1 380.295 3.026 20 0 GGADMN CCSc1ccc(Cn2cc([C@@H](N)[C@@H]3CCCO3)nn2)c(Br)c1 ZINC000641186790 567418530 /nfs/dbraw/zinc/41/85/30/567418530.db2.gz KQKASANPRLMQHD-JKSUJKDBSA-N 0 1 397.342 3.380 20 0 GGADMN CCSc1ccc(Cn2cc([C@H](N)[C@H]3CCCO3)nn2)c(Br)c1 ZINC000641186787 567418619 /nfs/dbraw/zinc/41/86/19/567418619.db2.gz KQKASANPRLMQHD-CVEARBPZSA-N 0 1 397.342 3.380 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)NCc2ccc(Br)cc2Cl)cn1 ZINC000436304846 567418859 /nfs/dbraw/zinc/41/88/59/567418859.db2.gz FAKWOOLAHSVPNV-UHFFFAOYSA-N 0 1 394.660 3.156 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000618874530 567419690 /nfs/dbraw/zinc/41/96/90/567419690.db2.gz JFQGJGBMNIWKGA-QWHCGFSZSA-N 0 1 386.279 3.304 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccccc2-n2cccn2)c1 ZINC000569634467 567419956 /nfs/dbraw/zinc/41/99/56/567419956.db2.gz WFVWPZKMRSDVOG-UHFFFAOYSA-N 0 1 377.853 3.473 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1Cl ZINC000549934720 567420052 /nfs/dbraw/zinc/42/00/52/567420052.db2.gz CFOXOWLIIOSAAW-UHFFFAOYSA-N 0 1 391.783 3.096 20 0 GGADMN N[C@H](c1cn(Cc2oc3ccccc3c2Br)nn1)[C@H]1CCCO1 ZINC000641205036 567420483 /nfs/dbraw/zinc/42/04/83/567420483.db2.gz GRVIUPQOWINBSN-CZUORRHYSA-N 0 1 377.242 3.014 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)cn1 ZINC000436372044 567421578 /nfs/dbraw/zinc/42/15/78/567421578.db2.gz QIGKQJPMBJENOJ-UHFFFAOYSA-N 0 1 376.247 3.316 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC1=CCSC1 ZINC000662270483 567423719 /nfs/dbraw/zinc/42/37/19/567423719.db2.gz ODCOQHDGKVNBNA-ZDUSSCGKSA-N 0 1 383.355 3.401 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000569693215 567423941 /nfs/dbraw/zinc/42/39/41/567423941.db2.gz YNPZXSYENUPIFJ-YPMHNXCESA-N 0 1 384.270 3.153 20 0 GGADMN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000569689275 567424371 /nfs/dbraw/zinc/42/43/71/567424371.db2.gz KUNXHVQFPXGVPY-YDHLFZDLSA-N 0 1 390.285 3.012 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000456910019 567425064 /nfs/dbraw/zinc/42/50/64/567425064.db2.gz ZSMRNSLXWRAPSK-UHFFFAOYSA-N 0 1 376.303 3.278 20 0 GGADMN CCSc1ccc([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000477924153 567425898 /nfs/dbraw/zinc/42/58/98/567425898.db2.gz DMGUNTRPLDJGDX-HNNXBMFYSA-N 0 1 379.547 3.415 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000550060587 567425959 /nfs/dbraw/zinc/42/59/59/567425959.db2.gz NIWFXONTJXADLG-LBPRGKRZSA-N 0 1 375.416 3.090 20 0 GGADMN O=C1N=NC(c2ccccc2NS(=O)(=O)c2ccccc2Br)O1 ZINC000436473799 567426158 /nfs/dbraw/zinc/42/61/58/567426158.db2.gz CFZVKWPXAWYXLX-UHFFFAOYSA-N 0 1 396.222 3.006 20 0 GGADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1cccc(C(C)C)c1 ZINC000436474532 567426703 /nfs/dbraw/zinc/42/67/03/567426703.db2.gz DCDLDHXBPPCASH-AWEZNQCLSA-N 0 1 381.416 3.460 20 0 GGADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(SC)cc1 ZINC000436477297 567427186 /nfs/dbraw/zinc/42/71/86/567427186.db2.gz LUCXMLNIKGTDBX-LBPRGKRZSA-N 0 1 385.429 3.059 20 0 GGADMN COC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000456941875 567427423 /nfs/dbraw/zinc/42/74/23/567427423.db2.gz QOSHUYWBZBORTO-CQSZACIVSA-N 0 1 378.270 3.480 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000477971753 567428268 /nfs/dbraw/zinc/42/82/68/567428268.db2.gz CFZKKODOSILVJR-MRXNPFEDSA-N 0 1 398.345 3.490 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)NCCCc2nc[nH]n2)ccc1Br ZINC000569735057 567428724 /nfs/dbraw/zinc/42/87/24/567428724.db2.gz VPOMDGMGVYFXEY-UHFFFAOYSA-N 0 1 379.302 3.193 20 0 GGADMN CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000436499404 567430115 /nfs/dbraw/zinc/43/01/15/567430115.db2.gz ZNXHTJANJDPHST-LBPRGKRZSA-N 0 1 381.881 3.238 20 0 GGADMN CCC(CC)(CNCc1cn(-c2ccccc2Br)nn1)C(=O)OC ZINC000569751583 567430279 /nfs/dbraw/zinc/43/02/79/567430279.db2.gz QXHHRYDNTOULKW-UHFFFAOYSA-N 0 1 395.301 3.099 20 0 GGADMN C[C@H]1N(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCOC1(C)C ZINC000477992699 567431194 /nfs/dbraw/zinc/43/11/94/567431194.db2.gz NAXVHYLQGHWGQE-LLVKDONJSA-N 0 1 378.270 3.479 20 0 GGADMN C[C@H]1N(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCOC1(C)C ZINC000478003394 567431480 /nfs/dbraw/zinc/43/14/80/567431480.db2.gz ZRFVNESJBVZCDB-LLVKDONJSA-N 0 1 378.270 3.479 20 0 GGADMN C[C@@H]1N(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCOC1(C)C ZINC000478003395 567431495 /nfs/dbraw/zinc/43/14/95/567431495.db2.gz ZRFVNESJBVZCDB-NSHDSACASA-N 0 1 378.270 3.479 20 0 GGADMN CC(C)[C@@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCO1 ZINC000550186876 567432439 /nfs/dbraw/zinc/43/24/39/567432439.db2.gz QMNZDJTYPPQIMX-SJORKVTESA-N 0 1 381.314 3.301 20 0 GGADMN CCNC(=O)[C@@H](NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C ZINC000550192485 567432456 /nfs/dbraw/zinc/43/24/56/567432456.db2.gz GIMJZPXDOLIXPH-AWEZNQCLSA-N 0 1 380.703 3.336 20 0 GGADMN CN1CC[C@@H](NCc2coc(S(C)(=O)=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000528511950 567432689 /nfs/dbraw/zinc/43/26/89/567432689.db2.gz ZSAOAQDXYFTXKB-NVXWUHKLSA-N 0 1 386.876 3.011 20 0 GGADMN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1c(O)cc(Cl)cc1Cl ZINC000436547384 567432966 /nfs/dbraw/zinc/43/29/66/567432966.db2.gz KAKSACYBWHWJJH-LBPRGKRZSA-N 0 1 383.206 3.373 20 0 GGADMN CC(C)[C@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)CCCO1 ZINC000550186873 567433043 /nfs/dbraw/zinc/43/30/43/567433043.db2.gz QMNZDJTYPPQIMX-DLBZAZTESA-N 0 1 381.314 3.301 20 0 GGADMN COC(=O)C[C@H]1CSCCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436541349 567433194 /nfs/dbraw/zinc/43/31/94/567433194.db2.gz ZYFLIEKMOIHUTC-NSHDSACASA-N 0 1 379.865 3.320 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000550203723 567433700 /nfs/dbraw/zinc/43/37/00/567433700.db2.gz NXIDPDFQNSKZDR-UHFFFAOYSA-N 0 1 376.741 3.183 20 0 GGADMN CC(C)c1nn(C)cc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457034400 567434212 /nfs/dbraw/zinc/43/42/12/567434212.db2.gz JMWPDXGKPDDRKJ-UHFFFAOYSA-N 0 1 376.258 3.112 20 0 GGADMN O=C(NCCCNC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000436557974 567434409 /nfs/dbraw/zinc/43/44/09/567434409.db2.gz ZALFUGLVQZCRAG-UHFFFAOYSA-N 0 1 385.222 3.388 20 0 GGADMN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccc(Br)cc1O ZINC000436573588 567434612 /nfs/dbraw/zinc/43/46/12/567434612.db2.gz JOMYFZHESWEUOS-UHFFFAOYSA-N 0 1 388.221 3.021 20 0 GGADMN O=C(NC1CCC1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436553713 567434697 /nfs/dbraw/zinc/43/46/97/567434697.db2.gz GKSSBURPZVYKNQ-UHFFFAOYSA-N 0 1 380.853 3.129 20 0 GGADMN CC(C)c1cc(C(=O)NCc2nc3cccc(Br)c3[nH]2)nn1C ZINC000457031922 567434886 /nfs/dbraw/zinc/43/48/86/567434886.db2.gz IDJOJJMPWGNUKS-UHFFFAOYSA-N 0 1 376.258 3.112 20 0 GGADMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@@H+]1C ZINC000502455131 567435233 /nfs/dbraw/zinc/43/52/33/567435233.db2.gz BUUMYTJRAKMHMP-SCZZXKLOSA-N 0 1 399.713 3.003 20 0 GGADMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@H+]1C ZINC000502455131 567435237 /nfs/dbraw/zinc/43/52/37/567435237.db2.gz BUUMYTJRAKMHMP-SCZZXKLOSA-N 0 1 399.713 3.003 20 0 GGADMN C[C@@H](CN(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1nn[nH]n1 ZINC000478090198 567435223 /nfs/dbraw/zinc/43/52/23/567435223.db2.gz PFEMHJJYOKCKMD-JTQLQIEISA-N 0 1 377.857 3.473 20 0 GGADMN C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)cc3O)n2)C[C@H](C)O1 ZINC000436551673 567435443 /nfs/dbraw/zinc/43/54/43/567435443.db2.gz QOPYECCIFBFZTO-QWRGUYRKSA-N 0 1 381.885 3.364 20 0 GGADMN COCC[C@@H](NS(=O)(=O)CCN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000569826653 567435724 /nfs/dbraw/zinc/43/57/24/567435724.db2.gz HHVGQGQARJIOQU-MRXNPFEDSA-N 0 1 395.352 3.086 20 0 GGADMN C[C@H](CN(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1nn[nH]n1 ZINC000478090199 567435848 /nfs/dbraw/zinc/43/58/48/567435848.db2.gz PFEMHJJYOKCKMD-SNVBAGLBSA-N 0 1 377.857 3.473 20 0 GGADMN CCn1nc(C)c(CC(=O)NCc2nc3cccc(Br)c3[nH]2)c1C ZINC000457070053 567436127 /nfs/dbraw/zinc/43/61/27/567436127.db2.gz VSMKHAUUZPNART-UHFFFAOYSA-N 0 1 390.285 3.018 20 0 GGADMN Cc1nn(CC(=O)NCc2nc3cccc(Br)c3[nH]2)c(C)c1Cl ZINC000457059296 567436257 /nfs/dbraw/zinc/43/62/57/567436257.db2.gz NTLSMIJZMUYTGZ-UHFFFAOYSA-N 0 1 396.676 3.109 20 0 GGADMN Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457059302 567436505 /nfs/dbraw/zinc/43/65/05/567436505.db2.gz NUAOPOUDWMBBIZ-VIFPVBQESA-N 0 1 390.285 3.096 20 0 GGADMN Oc1cc(Br)ccc1-c1nc(CCn2nnc3ccccc32)no1 ZINC000436581526 567437493 /nfs/dbraw/zinc/43/74/93/567437493.db2.gz IRAAUTUSWGWTAL-UHFFFAOYSA-N 0 1 386.209 3.192 20 0 GGADMN CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436576941 567437576 /nfs/dbraw/zinc/43/75/76/567437576.db2.gz SACMJVTYAAMPIP-UHFFFAOYSA-N 0 1 399.329 3.118 20 0 GGADMN C[C@H]1COCCN1C1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000569862807 567437737 /nfs/dbraw/zinc/43/77/37/567437737.db2.gz KAGJFHZVQKNXCS-ZDUSSCGKSA-N 0 1 394.313 3.275 20 0 GGADMN Cc1nn(CC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c(C)c1Cl ZINC000457090790 567438122 /nfs/dbraw/zinc/43/81/22/567438122.db2.gz VJCPTLBFQKJVIX-UHFFFAOYSA-N 0 1 380.842 3.029 20 0 GGADMN OC[C@H](CNCc1ncc(I)s1)C1CCCCC1 ZINC000550275144 567438519 /nfs/dbraw/zinc/43/85/19/567438519.db2.gz UDQBJGBMDCJWOU-NSHDSACASA-N 0 1 380.295 3.026 20 0 GGADMN O=S(=O)(Nc1cc(Br)ccc1Cl)c1cn2c(n1)CCCC2 ZINC000502496898 567438835 /nfs/dbraw/zinc/43/88/35/567438835.db2.gz XARBZMADENYUGH-UHFFFAOYSA-N 0 1 390.690 3.436 20 0 GGADMN NC(=O)CCC1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000502506437 567439410 /nfs/dbraw/zinc/43/94/10/567439410.db2.gz KDEILNZUUWLYKI-UHFFFAOYSA-N 0 1 389.721 3.459 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000457099886 567439472 /nfs/dbraw/zinc/43/94/72/567439472.db2.gz VXGALEHIFDJWFV-GFCCVEGCSA-N 0 1 392.297 3.258 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000457099886 567439477 /nfs/dbraw/zinc/43/94/77/567439477.db2.gz VXGALEHIFDJWFV-GFCCVEGCSA-N 0 1 392.297 3.258 20 0 GGADMN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc2c(s1)CCNC2 ZINC000662475309 567440054 /nfs/dbraw/zinc/44/00/54/567440054.db2.gz JWKMJYMZJUKCST-UHFFFAOYSA-N 0 1 375.881 3.192 20 0 GGADMN COCCC1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000528577205 567440270 /nfs/dbraw/zinc/44/02/70/567440270.db2.gz KIOOFRBJRQYDOE-KRWDZBQOSA-N 0 1 381.314 3.303 20 0 GGADMN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000436652321 567440383 /nfs/dbraw/zinc/44/03/83/567440383.db2.gz LYXQNLHSMNHONI-UHFFFAOYSA-N 0 1 382.869 3.376 20 0 GGADMN CCNC(=O)[C@@H](C)NCc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000478191359 567440787 /nfs/dbraw/zinc/44/07/87/567440787.db2.gz VIFSFEZDGMJBII-CYBMUJFWSA-N 0 1 393.329 3.372 20 0 GGADMN CSc1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000569882992 567440842 /nfs/dbraw/zinc/44/08/42/567440842.db2.gz WHJLGWVIWHSCEP-HNAYVOBHSA-N 0 1 376.547 3.350 20 0 GGADMN NC(=O)[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(Br)cc1 ZINC000502540812 567440957 /nfs/dbraw/zinc/44/09/57/567440957.db2.gz IXUIMCDUFQOXJB-JHJVBQTASA-N 0 1 377.229 3.116 20 0 GGADMN C[NH+](C)CCOc1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436640501 567440990 /nfs/dbraw/zinc/44/09/90/567440990.db2.gz INCYBVJXAYTCDS-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl ZINC000436657919 567441005 /nfs/dbraw/zinc/44/10/05/567441005.db2.gz SJMQODOVNRFEEI-OAHLLOKOSA-N 0 1 383.206 3.151 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@H](C)c1cccc(Br)c1 ZINC000457112164 567441148 /nfs/dbraw/zinc/44/11/48/567441148.db2.gz GPNJJNIMNYMSBX-SECBINFHSA-N 0 1 379.258 3.137 20 0 GGADMN O=S(=O)(CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccccc1 ZINC000502527770 567441285 /nfs/dbraw/zinc/44/12/85/567441285.db2.gz JEZXCLHWGUTKLV-LJQANCHMSA-N 0 1 379.909 3.105 20 0 GGADMN COc1cc(CN[C@H]2CCC[C@H]2F)cc(I)c1OC ZINC000550320174 567441664 /nfs/dbraw/zinc/44/16/64/567441664.db2.gz VQAWEJRJURHVQW-PWSUYJOCSA-N 0 1 379.213 3.289 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2COc3ccc(Br)cc32)c1 ZINC000436681533 567441759 /nfs/dbraw/zinc/44/17/59/567441759.db2.gz RKVGCUXEGQOLRV-CYBMUJFWSA-N 0 1 376.206 3.472 20 0 GGADMN O=C(c1cc(F)cc(Br)c1[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000436680765 567441953 /nfs/dbraw/zinc/44/19/53/567441953.db2.gz OUCZFCFKJNQQIY-UHFFFAOYSA-N 0 1 385.277 3.242 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2COc3ccc(Br)cc32)c1 ZINC000436681534 567442333 /nfs/dbraw/zinc/44/23/33/567442333.db2.gz RKVGCUXEGQOLRV-ZDUSSCGKSA-N 0 1 376.206 3.472 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)c1O ZINC000436675293 567442626 /nfs/dbraw/zinc/44/26/26/567442626.db2.gz VTZSFFDYERTRRH-UHFFFAOYSA-N 0 1 387.866 3.355 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CCC(CCC(N)=O)CC2)ccc1Br ZINC000502548428 567442597 /nfs/dbraw/zinc/44/25/97/567442597.db2.gz LHEZKOPHFHKZHB-CYBMUJFWSA-N 0 1 396.329 3.062 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(C2CCC2)CC1 ZINC000502560973 567442773 /nfs/dbraw/zinc/44/27/73/567442773.db2.gz NRQHWZUCVOYARV-UHFFFAOYSA-N 0 1 399.276 3.302 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000457126850 567442817 /nfs/dbraw/zinc/44/28/17/567442817.db2.gz PUJGAUJARKHSPP-ZETCQYMHSA-N 0 1 385.287 3.198 20 0 GGADMN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436662115 567442960 /nfs/dbraw/zinc/44/29/60/567442960.db2.gz HXCPXHSMFSKQIA-GFCCVEGCSA-N 0 1 375.730 3.423 20 0 GGADMN CCN(Cc1coc(-c2ccc(I)cc2)n1)[C@@H](C)CO ZINC000550356191 567443198 /nfs/dbraw/zinc/44/31/98/567443198.db2.gz WRROARQCSFXPHK-NSHDSACASA-N 0 1 386.233 3.149 20 0 GGADMN Cc1nccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1Cl ZINC000478241013 567443216 /nfs/dbraw/zinc/44/32/16/567443216.db2.gz VHYJPFLUIREKAM-UHFFFAOYSA-N 0 1 392.333 3.269 20 0 GGADMN Cc1nccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1Cl ZINC000478245988 567443345 /nfs/dbraw/zinc/44/33/45/567443345.db2.gz AHABDRDBJCFGSZ-UHFFFAOYSA-N 0 1 386.304 3.208 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H](CCCO)C1 ZINC000457145117 567443637 /nfs/dbraw/zinc/44/36/37/567443637.db2.gz KHGKRHXNSNIHQC-GFCCVEGCSA-N 0 1 378.270 3.074 20 0 GGADMN O=C(NCCn1cc(Br)cn1)c1c(O)cc(Cl)cc1Cl ZINC000436689154 567444069 /nfs/dbraw/zinc/44/40/69/567444069.db2.gz VROBNZCOJKWEFW-UHFFFAOYSA-N 0 1 379.041 3.088 20 0 GGADMN COC(=O)c1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)ccn1 ZINC000436704770 567444459 /nfs/dbraw/zinc/44/44/59/567444459.db2.gz PQHWKVOAABVOBC-UHFFFAOYSA-N 0 1 385.601 3.242 20 0 GGADMN CC1CCC([NH+]2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)CC1 ZINC000436717127 567445850 /nfs/dbraw/zinc/44/58/50/567445850.db2.gz FFLWAHIYVJTKTJ-UHFFFAOYSA-N 0 1 381.314 3.491 20 0 GGADMN Cc1ccc(-c2n[nH]cc2CNCC(=O)Nc2cccc(Br)c2)o1 ZINC000478283354 567446108 /nfs/dbraw/zinc/44/61/08/567446108.db2.gz WIAQQKHZAZFGOM-UHFFFAOYSA-N 0 1 389.253 3.469 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCNC[C@H]1C(C)C ZINC000528660206 567446596 /nfs/dbraw/zinc/44/65/96/567446596.db2.gz CVYSCLUUXSPCFY-AWEZNQCLSA-N 0 1 387.265 3.061 20 0 GGADMN COC(=O)c1cc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c[nH]1 ZINC000478300010 567446750 /nfs/dbraw/zinc/44/67/50/567446750.db2.gz SLDMNXJFDVCJDR-CQSZACIVSA-N 0 1 382.247 3.003 20 0 GGADMN Cc1cc(COc2ccc(C(=O)Nc3nnc(C)[nH]3)cc2Br)no1 ZINC000502678324 567446920 /nfs/dbraw/zinc/44/69/20/567446920.db2.gz XPQRBFDXBMNONO-UHFFFAOYSA-N 0 1 392.213 3.003 20 0 GGADMN Cc1cc(COc2ccc(C(=O)Nc3nc(C)n[nH]3)cc2Br)no1 ZINC000502678324 567446922 /nfs/dbraw/zinc/44/69/22/567446922.db2.gz XPQRBFDXBMNONO-UHFFFAOYSA-N 0 1 392.213 3.003 20 0 GGADMN COC(=O)c1cc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c[nH]1 ZINC000478300009 567447130 /nfs/dbraw/zinc/44/71/30/567447130.db2.gz SLDMNXJFDVCJDR-AWEZNQCLSA-N 0 1 382.247 3.003 20 0 GGADMN Cc1cc(COc2ccc(C(=O)Nc3nnc(C)[nH]3)cc2Br)on1 ZINC000502678224 567447279 /nfs/dbraw/zinc/44/72/79/567447279.db2.gz XBBXJTDEMGVXIU-UHFFFAOYSA-N 0 1 392.213 3.003 20 0 GGADMN Cc1cc(COc2ccc(C(=O)Nc3nc(C)n[nH]3)cc2Br)on1 ZINC000502678224 567447284 /nfs/dbraw/zinc/44/72/84/567447284.db2.gz XBBXJTDEMGVXIU-UHFFFAOYSA-N 0 1 392.213 3.003 20 0 GGADMN COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436733986 567447344 /nfs/dbraw/zinc/44/73/44/567447344.db2.gz JDESKWNENNVCJG-MRXNPFEDSA-N 0 1 393.281 3.196 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N(CCO)Cc1cccc(Br)c1 ZINC000436738496 567447475 /nfs/dbraw/zinc/44/74/75/567447475.db2.gz ODJDWYLOEOHPEW-UHFFFAOYSA-N 0 1 384.657 3.443 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[N@H+]1C ZINC000436735557 567447560 /nfs/dbraw/zinc/44/75/60/567447560.db2.gz GQJFMYVIJUEPER-CYBMUJFWSA-N 0 1 375.694 3.220 20 0 GGADMN COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000436736285 567447756 /nfs/dbraw/zinc/44/77/56/567447756.db2.gz OFJQUIKOOHIVOX-INIZCTEOSA-N 0 1 393.281 3.196 20 0 GGADMN C[C@H]1COCCN1C1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000641655123 567448705 /nfs/dbraw/zinc/44/87/05/567448705.db2.gz XMSYDHXQMNVIRF-ZDUSSCGKSA-N 0 1 391.313 3.082 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000436740588 567449168 /nfs/dbraw/zinc/44/91/68/567449168.db2.gz YWYDFVVSSKMRIT-HNNXBMFYSA-N 0 1 381.245 3.327 20 0 GGADMN Cc1ccc(C(=O)NCCNC(=O)c2c(O)cc(Cl)cc2Cl)cc1F ZINC000436755746 567449413 /nfs/dbraw/zinc/44/94/13/567449413.db2.gz NAPJICSYBXLICY-UHFFFAOYSA-N 0 1 385.222 3.306 20 0 GGADMN CCOC(=O)C1(CNCc2c(Br)cncc2Br)CC1 ZINC000569979142 567449428 /nfs/dbraw/zinc/44/94/28/567449428.db2.gz ONGUZWYDTOUQIL-UHFFFAOYSA-N 0 1 392.091 3.040 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(F)c1 ZINC000550461843 567449897 /nfs/dbraw/zinc/44/98/97/567449897.db2.gz DPPGXOSWESJUDK-GFCCVEGCSA-N 0 1 398.264 3.387 20 0 GGADMN OC[C@@]1([C@H](NCc2nc3cc(Br)ccc3o2)C2CC2)CCCO1 ZINC000550503645 567450026 /nfs/dbraw/zinc/45/00/26/567450026.db2.gz VJGFFJBTLCYZSO-IAGOWNOFSA-N 0 1 381.270 3.000 20 0 GGADMN Cc1cc(F)c(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)cc1F ZINC000641692644 567450284 /nfs/dbraw/zinc/45/02/84/567450284.db2.gz QSIIYSXMYRIKOE-UHFFFAOYSA-N 0 1 389.733 3.486 20 0 GGADMN CN1C[C@@H](NC(=O)c2ccc(Br)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000478366920 567450637 /nfs/dbraw/zinc/45/06/37/567450637.db2.gz DWUUBDUJCFCIOT-RHSMWYFYSA-N 0 1 377.257 3.416 20 0 GGADMN CN1C[C@H](NC(=O)c2ccc(F)cc2Br)[C@@H](c2ccccc2)C1 ZINC000478372723 567450667 /nfs/dbraw/zinc/45/06/67/567450667.db2.gz QFPINDWRWFUQBM-WBVHZDCISA-N 0 1 377.257 3.416 20 0 GGADMN CC(C)(NCc1cc2c(c(Br)c1)OCO2)C(=O)NCC1CCCC1 ZINC000502762830 567450679 /nfs/dbraw/zinc/45/06/79/567450679.db2.gz NCCHWKKDUNSCNU-UHFFFAOYSA-N 0 1 397.313 3.352 20 0 GGADMN CSc1ccc(-c2nsc(NC(=O)N3CCN(C)CC[C@H]3C)n2)cc1 ZINC000570010280 567450816 /nfs/dbraw/zinc/45/08/16/567450816.db2.gz SGWHRGGNPAFWOT-GFCCVEGCSA-N 0 1 377.539 3.485 20 0 GGADMN Cc1c(NC(=O)c2ccc(O)c(Cl)c2)cccc1S(=O)(=O)NC1CC1 ZINC000436795171 567452308 /nfs/dbraw/zinc/45/23/08/567452308.db2.gz XYWMZJDOEXIVGO-UHFFFAOYSA-N 0 1 380.853 3.047 20 0 GGADMN OC[C@@H](CC(F)(F)F)NCc1cccc(Br)c1OC(F)F ZINC000641743862 567453487 /nfs/dbraw/zinc/45/34/87/567453487.db2.gz HNNVZQHMJHQGAN-MRVPVSSYSA-N 0 1 378.135 3.453 20 0 GGADMN C[C@@]1(CNCc2cc(Br)sc2Br)CCC(=O)N1 ZINC000641760047 567453456 /nfs/dbraw/zinc/45/34/56/567453456.db2.gz MKHXDLJLPHQHRC-NSHDSACASA-N 0 1 382.121 3.031 20 0 GGADMN CN1C[C@@H](NC(=O)c2cc(F)cc(Br)c2)[C@@H](c2ccccc2)C1 ZINC000478405026 567453517 /nfs/dbraw/zinc/45/35/17/567453517.db2.gz ZJPPMHIVOCJCIQ-IAGOWNOFSA-N 0 1 377.257 3.416 20 0 GGADMN C[C@H]1CC(F)(F)CCN1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000528765335 567453458 /nfs/dbraw/zinc/45/34/58/567453458.db2.gz BGAXIQFPANBZPA-GXFFZTMASA-N 0 1 382.220 3.448 20 0 GGADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000594033856 567453751 /nfs/dbraw/zinc/45/37/51/567453751.db2.gz WFLQIMIJDFNLBC-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN O=S(=O)(c1csc(-c2ccccc2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000594037145 567453799 /nfs/dbraw/zinc/45/37/99/567453799.db2.gz JLZJCJSZQUTXPT-INIZCTEOSA-N 0 1 377.535 3.059 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000502823346 567454778 /nfs/dbraw/zinc/45/47/78/567454778.db2.gz MUEZTUOGCUVRPV-MRXNPFEDSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(Br)cc2O)cc1N1CCNC1=O ZINC000436819724 567454864 /nfs/dbraw/zinc/45/48/64/567454864.db2.gz FEEKAXWYLXZULH-UHFFFAOYSA-N 0 1 390.237 3.245 20 0 GGADMN CS(=O)(=O)[C@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000502824768 567454988 /nfs/dbraw/zinc/45/49/88/567454988.db2.gz PSEAFPKRBADBNU-ZDUSSCGKSA-N 0 1 393.336 3.221 20 0 GGADMN CC1(C)CN(C(=O)c2scc(Br)c2Br)CCN1 ZINC000528767209 567455052 /nfs/dbraw/zinc/45/50/52/567455052.db2.gz LZENDWWNABYWKZ-UHFFFAOYSA-N 0 1 382.121 3.097 20 0 GGADMN CSc1ccc(F)cc1CN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550646740 567455547 /nfs/dbraw/zinc/45/55/47/567455547.db2.gz HKEUMUOBFJIEKL-KRWDZBQOSA-N 0 1 380.510 3.362 20 0 GGADMN C[C@@H]1CCSCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000502827341 567456563 /nfs/dbraw/zinc/45/65/63/567456563.db2.gz MUGCAMAOSIXANC-LLVKDONJSA-N 0 1 377.373 3.296 20 0 GGADMN C[C@](N)(C(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)c1ccc(Br)cc1 ZINC000662699349 567457222 /nfs/dbraw/zinc/45/72/22/567457222.db2.gz PMEWCRJFXRPRRS-DKSSEZFCSA-N 0 1 395.341 3.431 20 0 GGADMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ncc(-c2ccccc2Br)o1 ZINC000502857348 567457277 /nfs/dbraw/zinc/45/72/77/567457277.db2.gz SZBPHEVDSBRPKW-OCCSQVGLSA-N 0 1 378.270 3.108 20 0 GGADMN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN(C2CCC2)CC1 ZINC000502845773 567457803 /nfs/dbraw/zinc/45/78/03/567457803.db2.gz ZXDMAVJOOKQUJK-CQSZACIVSA-N 0 1 380.330 3.260 20 0 GGADMN CNC(=O)[C@H]1CCC[C@H]1NCc1ncc(-c2ccccc2Br)o1 ZINC000502857346 567457975 /nfs/dbraw/zinc/45/79/75/567457975.db2.gz SZBPHEVDSBRPKW-GXTWGEPZSA-N 0 1 378.270 3.108 20 0 GGADMN O=C1[C@@H](N[C@H]2CCc3sc(Br)cc32)CCN1CC(F)(F)F ZINC000550701349 567458399 /nfs/dbraw/zinc/45/83/99/567458399.db2.gz ZDZHJCUIKPJSRW-IUCAKERBSA-N 0 1 383.233 3.251 20 0 GGADMN C[C@@](N)(C(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccc(Br)cc1 ZINC000662702761 567458004 /nfs/dbraw/zinc/45/80/04/567458004.db2.gz MMOFMVVAVJJGBV-HKUYNNGSSA-N 0 1 395.341 3.431 20 0 GGADMN C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1csc(C(C)(C)C)n1 ZINC000570108923 567458713 /nfs/dbraw/zinc/45/87/13/567458713.db2.gz JMWAUOUZKYCBRO-AWEZNQCLSA-N 0 1 381.567 3.287 20 0 GGADMN COC(=O)c1cccc(CNCc2cc3c(c(Br)c2)OCO3)c1 ZINC000619509234 567460268 /nfs/dbraw/zinc/46/02/68/567460268.db2.gz JZYPKWUFABCCMG-UHFFFAOYSA-N 0 1 378.222 3.254 20 0 GGADMN CC(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457363986 567460693 /nfs/dbraw/zinc/46/06/93/567460693.db2.gz MJLOERRSMWMVRO-HNNXBMFYSA-N 0 1 383.901 3.093 20 0 GGADMN Brc1cccc(NCCN[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000550783810 567461365 /nfs/dbraw/zinc/46/13/65/567461365.db2.gz LZMTYPGPMNXLKI-AWEZNQCLSA-N 0 1 378.299 3.420 20 0 GGADMN O=C(NC[C@H](CO)Cc1ccccc1Br)c1ccc(O)c(Cl)c1 ZINC000436867281 567461491 /nfs/dbraw/zinc/46/14/91/567461491.db2.gz BJSUXIQZJMDVJM-LLVKDONJSA-N 0 1 398.684 3.389 20 0 GGADMN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccc(O)c(Cl)c1 ZINC000436867127 567461532 /nfs/dbraw/zinc/46/15/32/567461532.db2.gz ATTZLERUOSVLLC-GFCCVEGCSA-N 0 1 398.684 3.389 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2ccccc2I)c1 ZINC000436862413 567461710 /nfs/dbraw/zinc/46/17/10/567461710.db2.gz NUZGQOWMVLDUIE-UHFFFAOYSA-N 0 1 381.169 3.452 20 0 GGADMN Cc1nc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1 ZINC000570154002 567461965 /nfs/dbraw/zinc/46/19/65/567461965.db2.gz HEIJRXFGZQJIRX-UHFFFAOYSA-N 0 1 397.287 3.246 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)N2CCN(C3CCC3)CC2)cc1Br ZINC000502937615 567462027 /nfs/dbraw/zinc/46/20/27/567462027.db2.gz DGZOHDMMFLZVRQ-CYBMUJFWSA-N 0 1 396.329 3.398 20 0 GGADMN Brc1cccc(NCCN[C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000550783811 567462068 /nfs/dbraw/zinc/46/20/68/567462068.db2.gz LZMTYPGPMNXLKI-CQSZACIVSA-N 0 1 378.299 3.420 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)c1 ZINC000436881400 567462725 /nfs/dbraw/zinc/46/27/25/567462725.db2.gz NNZXLKZJFZWENC-MRXNPFEDSA-N 0 1 376.206 3.300 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000436878227 567463290 /nfs/dbraw/zinc/46/32/90/567463290.db2.gz DUBGZJUATHBQBN-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc4cccc(Cl)c4s3)C2)CC1 ZINC000570163285 567463534 /nfs/dbraw/zinc/46/35/34/567463534.db2.gz GKAAHHVHXYOFLG-OAHLLOKOSA-N 0 1 377.941 3.407 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000550821866 567463732 /nfs/dbraw/zinc/46/37/32/567463732.db2.gz KPEOAYKABSNJQY-GFCCVEGCSA-N 0 1 384.851 3.464 20 0 GGADMN NC(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3O)n2)cc1 ZINC000436894343 567464003 /nfs/dbraw/zinc/46/40/03/567464003.db2.gz QSIGWRIJKCBIMZ-UHFFFAOYSA-N 0 1 375.182 3.362 20 0 GGADMN O=C(Nc1sccc1C(=O)N1CCC(=O)CC1)c1ccc(Cl)cc1O ZINC000436906364 567464025 /nfs/dbraw/zinc/46/40/25/567464025.db2.gz QEAXZMLAAGWCML-UHFFFAOYSA-N 0 1 378.837 3.165 20 0 GGADMN Cc1cc(Br)c(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000457411563 567464377 /nfs/dbraw/zinc/46/43/77/567464377.db2.gz XHNLIBKJUSQRML-GHMZBOCLSA-N 0 1 375.332 3.048 20 0 GGADMN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195728 567464246 /nfs/dbraw/zinc/46/42/46/567464246.db2.gz IDIMWJQTUYOINI-IAGOWNOFSA-N 0 1 380.941 3.389 20 0 GGADMN C[C@@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Br)cc1 ZINC000457445146 567465983 /nfs/dbraw/zinc/46/59/83/567465983.db2.gz CWAMOFPCJHKQAZ-SNVBAGLBSA-N 0 1 380.290 3.425 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570208474 567466000 /nfs/dbraw/zinc/46/60/00/567466000.db2.gz WYZRNOLFFLQEPD-YJBOKZPZSA-N 0 1 388.309 3.152 20 0 GGADMN COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2O)cc1OC ZINC000436920206 567465999 /nfs/dbraw/zinc/46/59/99/567465999.db2.gz QYDGKYZZSRTOTC-UHFFFAOYSA-N 0 1 380.194 3.202 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCC(CN3CCOCC3)CC2)s1 ZINC000457450857 567466409 /nfs/dbraw/zinc/46/64/09/567466409.db2.gz ZBRYPCGPDHEZEV-UHFFFAOYSA-N 0 1 387.343 3.003 20 0 GGADMN Cc1cn2ccnc(C(=O)Nc3cc(Cl)cc(Br)c3O)c2n1 ZINC000436924719 567466450 /nfs/dbraw/zinc/46/64/50/567466450.db2.gz DRYWMORSRFOOOG-UHFFFAOYSA-N 0 1 381.617 3.412 20 0 GGADMN Cc1cc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)s1 ZINC000457461359 567467316 /nfs/dbraw/zinc/46/73/16/567467316.db2.gz PBCUEVIQRGFZCC-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1ccc(Br)cc1O ZINC000436948891 567468580 /nfs/dbraw/zinc/46/85/80/567468580.db2.gz QBXSUCSULSYHRH-UHFFFAOYSA-N 0 1 377.173 3.331 20 0 GGADMN Oc1cc(Br)ccc1-c1nc(-c2cccc(-n3cccn3)n2)no1 ZINC000436933705 567468628 /nfs/dbraw/zinc/46/86/28/567468628.db2.gz CWJFDVPUGKOQLD-UHFFFAOYSA-N 0 1 384.193 3.452 20 0 GGADMN Oc1cc(Br)ccc1-c1nc(-c2cccc(-n3cncn3)c2)no1 ZINC000436936496 567468979 /nfs/dbraw/zinc/46/89/79/567468979.db2.gz NKDFSAIPHFYDBZ-UHFFFAOYSA-N 0 1 384.193 3.452 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(CSC)c2)cc1OC ZINC000619620436 567469380 /nfs/dbraw/zinc/46/93/80/567469380.db2.gz GBDUMEBYJZQVAG-UHFFFAOYSA-N 0 1 381.475 3.146 20 0 GGADMN Cc1ccc(Oc2cc(Br)ccc2NC(=O)[C@H]2CNCCO2)cc1 ZINC000662929318 567470200 /nfs/dbraw/zinc/47/02/00/567470200.db2.gz CRVLFFZOSNYJHV-QGZVFWFLSA-N 0 1 391.265 3.477 20 0 GGADMN CCC[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC[N@H+]1CCOC ZINC000436959701 567470801 /nfs/dbraw/zinc/47/08/01/567470801.db2.gz BDZJLUNISHNPDV-ZDUSSCGKSA-N 0 1 375.296 3.272 20 0 GGADMN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1c(O)cccc1F ZINC000436982102 567472489 /nfs/dbraw/zinc/47/24/89/567472489.db2.gz SMICZBWIXISHAX-UHFFFAOYSA-N 0 1 396.212 3.109 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1C ZINC000642241845 567472693 /nfs/dbraw/zinc/47/26/93/567472693.db2.gz BJLKRZAFILXFGU-UHFFFAOYSA-N 0 1 382.507 3.156 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000642255662 567472816 /nfs/dbraw/zinc/47/28/16/567472816.db2.gz DYHINKFYWFJEPY-OAHLLOKOSA-N 0 1 395.297 3.282 20 0 GGADMN COC(=O)[C@]1(C)CN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000503216189 567473668 /nfs/dbraw/zinc/47/36/68/567473668.db2.gz KDVUWMZHTJWZFU-SEDUGSJDSA-N 0 1 387.307 3.302 20 0 GGADMN COC(=O)[C@]1(C)CN(Cc2cc(OC)c(OC)cc2Br)C[C@H]1C ZINC000503217085 567473966 /nfs/dbraw/zinc/47/39/66/567473966.db2.gz NNGLLRGZAOXRFK-PIGZYNQJSA-N 0 1 386.286 3.097 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c(Cl)c1 ZINC000478674981 567474127 /nfs/dbraw/zinc/47/41/27/567474127.db2.gz MGDMZPMIUIFRMN-UHFFFAOYSA-N 0 1 382.869 3.335 20 0 GGADMN CNC(=O)c1cc2cc(NC(=O)c3ccc(Br)cc3O)ccc2[nH]1 ZINC000437000373 567474145 /nfs/dbraw/zinc/47/41/45/567474145.db2.gz NIZJZESHKWYKDK-UHFFFAOYSA-N 0 1 388.221 3.248 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)s1 ZINC000457562579 567474466 /nfs/dbraw/zinc/47/44/66/567474466.db2.gz CHTVUJCGQJTBEF-NSHDSACASA-N 0 1 387.343 3.144 20 0 GGADMN CC(C)Oc1ccc(CN[C@H](CS(C)(=O)=O)C2CC2)c(C(F)(F)F)c1 ZINC000551029619 567474573 /nfs/dbraw/zinc/47/45/73/567474573.db2.gz LYVZAGBVLJAINW-MRXNPFEDSA-N 0 1 379.444 3.405 20 0 GGADMN CC(C)Oc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1C(N)=O ZINC000478695276 567475170 /nfs/dbraw/zinc/47/51/70/567475170.db2.gz KFIJQFBTYBZKIN-UHFFFAOYSA-N 0 1 386.832 3.166 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cccc(Br)c2C)c1 ZINC000437005069 567475497 /nfs/dbraw/zinc/47/54/97/567475497.db2.gz RLLFIFDMOVFBKH-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN O=C([O-])C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000663084226 567475659 /nfs/dbraw/zinc/47/56/59/567475659.db2.gz HTPRGUZVKPYBGN-UHFFFAOYSA-N 0 1 385.291 3.329 20 0 GGADMN CC(=O)NCCN(CCCc1ccncc1)Cc1ccc(Br)s1 ZINC000503241605 567476468 /nfs/dbraw/zinc/47/64/68/567476468.db2.gz NTDHHVQPCUTAMS-UHFFFAOYSA-N 0 1 396.354 3.477 20 0 GGADMN OC[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000503243230 567476490 /nfs/dbraw/zinc/47/64/90/567476490.db2.gz HECCTAHSIGUAMK-QGZVFWFLSA-N 0 1 376.298 3.268 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C)cc1C ZINC000478700760 567476584 /nfs/dbraw/zinc/47/65/84/567476584.db2.gz GZJAGTJSAZKALJ-UHFFFAOYSA-N 0 1 382.825 3.201 20 0 GGADMN CC(=O)NCCN(CCc1ccccn1)Cc1ccc(Br)s1 ZINC000503257914 567476991 /nfs/dbraw/zinc/47/69/91/567476991.db2.gz PFZQLKOCVSDGMW-UHFFFAOYSA-N 0 1 382.327 3.086 20 0 GGADMN CCOC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000437096030 567477135 /nfs/dbraw/zinc/47/71/35/567477135.db2.gz MKUBJNKMVYULCL-CYBMUJFWSA-N 0 1 376.316 3.072 20 0 GGADMN OC[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000503243229 567477425 /nfs/dbraw/zinc/47/74/25/567477425.db2.gz HECCTAHSIGUAMK-KRWDZBQOSA-N 0 1 376.298 3.268 20 0 GGADMN COc1cc(Br)ccc1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000663156347 567477440 /nfs/dbraw/zinc/47/74/40/567477440.db2.gz BRWPXFKZQUPFGL-SNVBAGLBSA-N 0 1 376.214 3.094 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CCCC[C@@H]1C ZINC000642376766 567477534 /nfs/dbraw/zinc/47/75/34/567477534.db2.gz GAULXMMAHHOBJY-QWHCGFSZSA-N 0 1 380.432 3.126 20 0 GGADMN CO[C@@H](c1noc([C@@H]2CCCc3nn[nH]c32)n1)c1ccc(Br)cc1 ZINC000663160114 567478252 /nfs/dbraw/zinc/47/82/52/567478252.db2.gz YBHLTSVGQCFQOY-BXUZGUMPSA-N 0 1 390.241 3.154 20 0 GGADMN Brc1ccc2[nH]cc(Cc3noc([C@@H]4CCCc5nn[nH]c54)n3)c2c1 ZINC000663158750 567478583 /nfs/dbraw/zinc/47/85/83/567478583.db2.gz RUFCECACWDPCAS-LLVKDONJSA-N 0 1 399.252 3.491 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1Br ZINC000642397100 567478567 /nfs/dbraw/zinc/47/85/67/567478567.db2.gz BRLKTJRGWFFBTG-OAHLLOKOSA-N 0 1 384.318 3.236 20 0 GGADMN CO[C@@H](c1noc([C@@H]2CCCc3nn[nH]c32)n1)c1ccccc1Br ZINC000663162096 567478887 /nfs/dbraw/zinc/47/88/87/567478887.db2.gz ZRRBLTHUELURMJ-QMTHXVAHSA-N 0 1 390.241 3.154 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2n[nH]cc2Br)c1Br ZINC000570374529 567478918 /nfs/dbraw/zinc/47/89/18/567478918.db2.gz KQCXPCJYQLTXPG-UHFFFAOYSA-N 0 1 395.076 3.044 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000642396764 567478982 /nfs/dbraw/zinc/47/89/82/567478982.db2.gz JNSBNVUBTYPANP-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN Brc1ccc2c(Cc3noc([C@@H]4CCCc5nn[nH]c54)n3)c[nH]c2c1 ZINC000663157769 567478942 /nfs/dbraw/zinc/47/89/42/567478942.db2.gz LVWHUMCTNTVEOH-GFCCVEGCSA-N 0 1 399.252 3.491 20 0 GGADMN Cc1cc(CN[C@H](CO)c2ccc(Br)cc2)ccc1-n1cncn1 ZINC000503266987 567478954 /nfs/dbraw/zinc/47/89/54/567478954.db2.gz SINNMIYNDCMJJL-QGZVFWFLSA-N 0 1 387.281 3.161 20 0 GGADMN CCc1n[n-]c(=NC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)s1 ZINC000642408265 567479021 /nfs/dbraw/zinc/47/90/21/567479021.db2.gz QLMVWEWLNUDNCY-CQSZACIVSA-N 0 1 381.933 3.380 20 0 GGADMN Fc1ccc(Br)cc1Cc1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000663157558 567479148 /nfs/dbraw/zinc/47/91/48/567479148.db2.gz HRSAMMMWADOZFV-SNVBAGLBSA-N 0 1 378.205 3.148 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000437176765 567479635 /nfs/dbraw/zinc/47/96/35/567479635.db2.gz OGWJOODNMARTJI-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(OCC(N)=O)c2)c1 ZINC000551110501 567479942 /nfs/dbraw/zinc/47/99/42/567479942.db2.gz XGDMACMWKMYGHY-UHFFFAOYSA-N 0 1 382.869 3.128 20 0 GGADMN C[C@H]1CCCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000642523571 567480316 /nfs/dbraw/zinc/48/03/16/567480316.db2.gz TVNRNWCCNFRVNN-NSHDSACASA-N 0 1 384.851 3.369 20 0 GGADMN FC(F)(F)CN1CCCN(CCOc2ccc(Br)cc2)CC1 ZINC000642527185 567480933 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COc1cc(NC(=O)[C@@H]2NCCc3ccccc32)cc(OC)c1Br ZINC000570398194 567482187 /nfs/dbraw/zinc/48/21/87/567482187.db2.gz PYYIVTZZEKFCFY-QGZVFWFLSA-N 0 1 391.265 3.292 20 0 GGADMN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503415090 567482884 /nfs/dbraw/zinc/48/28/84/567482884.db2.gz HMSHJCGJLNJOGT-LBPRGKRZSA-N 0 1 394.313 3.005 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cnc2ccsc2c1)N(C)Cc1ccccc1 ZINC000437227033 567484096 /nfs/dbraw/zinc/48/40/96/567484096.db2.gz JEERPUQDCHERLD-CQSZACIVSA-N 0 1 375.519 3.095 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000642618554 567484307 /nfs/dbraw/zinc/48/43/07/567484307.db2.gz SUDLYYAFRWHKPS-MRXNPFEDSA-N 0 1 388.339 3.192 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)CSc2ccc(Br)cc2C)n1 ZINC000619865258 567484268 /nfs/dbraw/zinc/48/42/68/567484268.db2.gz JGZVPKWIYWUTIP-UHFFFAOYSA-N 0 1 398.282 3.388 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n1 ZINC000619865425 567484368 /nfs/dbraw/zinc/48/43/68/567484368.db2.gz 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C[C@H]1CN(CCCNC(=O)NCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000642660097 567485654 /nfs/dbraw/zinc/48/56/54/567485654.db2.gz ZSIHGILZHSYHKV-GJZGRUSLSA-N 0 1 385.961 3.231 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1cnc[nH]1 ZINC000478825362 567485965 /nfs/dbraw/zinc/48/59/65/567485965.db2.gz IDZCCIBLAGEVBW-UHFFFAOYSA-N 0 1 378.263 3.378 20 0 GGADMN O=C(NCc1cnc[nH]1)c1ccc(COc2cccc(Br)c2)o1 ZINC000478839226 567486184 /nfs/dbraw/zinc/48/61/84/567486184.db2.gz QFGQKBBMOFEOJF-UHFFFAOYSA-N 0 1 376.210 3.274 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1csc(=NC2CC2)[nH]1 ZINC000437280970 567486442 /nfs/dbraw/zinc/48/64/42/567486442.db2.gz OJRMGCGPDOGBBL-QWHCGFSZSA-N 0 1 378.295 3.188 20 0 GGADMN CCCN1CC[C@@H](NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000619898797 567486885 /nfs/dbraw/zinc/48/68/85/567486885.db2.gz IRVILACJFJPLPG-CZUORRHYSA-N 0 1 381.314 3.259 20 0 GGADMN Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](C(=O)[O-])c1ccccc1Br ZINC000663261173 567487407 /nfs/dbraw/zinc/48/74/07/567487407.db2.gz 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CCCN1CCC[C@H]1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000503686528 567500175 /nfs/dbraw/zinc/50/01/75/567500175.db2.gz AZBYGTDUEDGONV-AWEZNQCLSA-N 0 1 379.917 3.433 20 0 GGADMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000503686529 567500262 /nfs/dbraw/zinc/50/02/62/567500262.db2.gz AZBYGTDUEDGONV-CQSZACIVSA-N 0 1 379.917 3.433 20 0 GGADMN CCOC(=O)Cn1nc(C)c(CN(C)Cc2cccc(Br)c2)c1C ZINC000437592401 567500355 /nfs/dbraw/zinc/50/03/55/567500355.db2.gz QZYPDWJITXDBBA-UHFFFAOYSA-N 0 1 394.313 3.458 20 0 GGADMN COC(=O)c1sc(C)cc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000594694914 567500430 /nfs/dbraw/zinc/50/04/30/567500430.db2.gz CUEJKRKCHCHGSG-UHFFFAOYSA-N 0 1 391.417 3.288 20 0 GGADMN CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000570628767 567500493 /nfs/dbraw/zinc/50/04/93/567500493.db2.gz CDNLDJORZYOUDG-WMLDXEAASA-N 0 1 383.330 3.295 20 0 GGADMN CC(C)O[C@@H]1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000570628767 567500502 /nfs/dbraw/zinc/50/05/02/567500502.db2.gz 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ZINC000529270250 567501530 /nfs/dbraw/zinc/50/15/30/567501530.db2.gz KFYPGQIHWRTOSM-KRWDZBQOSA-N 0 1 395.341 3.013 20 0 GGADMN O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000529271627 567501848 /nfs/dbraw/zinc/50/18/48/567501848.db2.gz KQWTZOYDVWJXOE-WDEREUQCSA-N 0 1 398.282 3.109 20 0 GGADMN COc1cc(NC(=O)[C@H]2CCCc3n[nH]nc32)c(Cl)cc1Br ZINC000620159873 567501883 /nfs/dbraw/zinc/50/18/83/567501883.db2.gz HBIXVRUMYWSQOG-ZETCQYMHSA-N 0 1 385.649 3.288 20 0 GGADMN CSCC1(CCN[C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000594711911 567502055 /nfs/dbraw/zinc/50/20/55/567502055.db2.gz OALZXZMCPOQZNL-ZDUSSCGKSA-N 0 1 375.307 3.238 20 0 GGADMN O=C(NCCc1c[nH]c2ncccc12)c1cc(Br)cc2nc[nH]c21 ZINC000503731823 567503108 /nfs/dbraw/zinc/50/31/08/567503108.db2.gz VCQHYUBMUOSXMM-UHFFFAOYSA-N 0 1 384.237 3.174 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)N2CCNC[C@H]2C(C)C)cc1Br ZINC000529285894 567503268 /nfs/dbraw/zinc/50/32/68/567503268.db2.gz QUROBDMGTHUMJW-DOMZBBRYSA-N 0 1 384.318 3.158 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)N3CCNC[C@@H]3C(C)C)s2)cs1 ZINC000529293000 567503620 /nfs/dbraw/zinc/50/36/20/567503620.db2.gz VNJLPFRWARWLFS-MRXNPFEDSA-N 0 1 378.567 3.362 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000437646566 567503586 /nfs/dbraw/zinc/50/35/86/567503586.db2.gz PDYQVWSTJMYMOC-YPMHNXCESA-N 0 1 397.595 3.338 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)N2CCNC[C@@H]2C(C)C)cc1Br ZINC000529285895 567503810 /nfs/dbraw/zinc/50/38/10/567503810.db2.gz QUROBDMGTHUMJW-IUODEOHRSA-N 0 1 384.318 3.158 20 0 GGADMN O=S(=O)(Nc1cnn(CC2CC2)c1)c1cc(Cl)ccc1OC(F)F ZINC000643269513 567503851 /nfs/dbraw/zinc/50/38/51/567503851.db2.gz KHTGOCSCDQRKCJ-UHFFFAOYSA-N 0 1 377.800 3.349 20 0 GGADMN CN(Cc1ccccc1)C1CN(C(=O)Nc2cncc(Br)c2)C1 ZINC000479111419 567504762 /nfs/dbraw/zinc/50/47/62/567504762.db2.gz KGXYHSJXHWUTSW-UHFFFAOYSA-N 0 1 375.270 3.192 20 0 GGADMN COCC[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000551419298 567505011 /nfs/dbraw/zinc/50/50/11/567505011.db2.gz 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/nfs/dbraw/zinc/50/84/04/567508404.db2.gz JNNQNSNZWFJFIM-LBPRGKRZSA-N 0 1 376.258 3.094 20 0 GGADMN COC(=O)c1cc(F)cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1F ZINC000551471716 567508744 /nfs/dbraw/zinc/50/87/44/567508744.db2.gz ULGFIKYIOVKKRP-UHFFFAOYSA-N 0 1 397.733 3.484 20 0 GGADMN C[C@@H](N[C@@H]1CCCSc2ccc(Br)cc21)C(=O)NCCF ZINC000663443703 567508848 /nfs/dbraw/zinc/50/88/48/567508848.db2.gz HSPFHCBINWJXFN-ZWNOBZJWSA-N 0 1 375.307 3.440 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2scc(Br)c2Br)n[nH]1 ZINC000529376538 567509994 /nfs/dbraw/zinc/50/99/94/567509994.db2.gz BDWOCVWCSQAGQJ-SCSAIBSYSA-N 0 1 394.092 3.191 20 0 GGADMN O=C(NC[C@H]1COCCN1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000529377664 567510013 /nfs/dbraw/zinc/51/00/13/567510013.db2.gz RNAMQVZPLVEZJQ-INIZCTEOSA-N 0 1 384.307 3.171 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@H]2Cc2ccccc2Br)n[nH]1 ZINC000643383633 567510403 /nfs/dbraw/zinc/51/04/03/567510403.db2.gz ROINSHNYGLEJAJ-ZDUSSCGKSA-N 0 1 392.301 3.046 20 0 GGADMN OCCC1(CNCc2cn(-c3ccccc3Br)nn2)CCCCC1 ZINC000570764048 567510766 /nfs/dbraw/zinc/51/07/66/567510766.db2.gz CAPOVTQGPPZWKT-UHFFFAOYSA-N 0 1 393.329 3.452 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCOCCF)c2ccc(Cl)cc2)c1 ZINC000663462539 567510850 /nfs/dbraw/zinc/51/08/50/567510850.db2.gz PNRKMTAWNFILNQ-GOSISDBHSA-N 0 1 385.888 3.409 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000479165121 567511041 /nfs/dbraw/zinc/51/10/41/567511041.db2.gz STEFBPUOBIVHTC-HNNXBMFYSA-N 0 1 375.416 3.295 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)c1 ZINC000479165227 567511106 /nfs/dbraw/zinc/51/11/06/567511106.db2.gz SWEWIRVYAKATFR-AWEZNQCLSA-N 0 1 379.379 3.359 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000479160023 567511227 /nfs/dbraw/zinc/51/12/27/567511227.db2.gz QXMSVQRQDMKDIY-AWEZNQCLSA-N 0 1 393.408 3.291 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458019471 567513092 /nfs/dbraw/zinc/51/30/92/567513092.db2.gz DPYPNUHSYKYNMM-LLVKDONJSA-N 0 1 379.302 3.360 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1cccs1 ZINC000570786447 567513405 /nfs/dbraw/zinc/51/34/05/567513405.db2.gz GXUTUHPMCBZMLH-LBPRGKRZSA-N 0 1 397.371 3.099 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)CCCOc2cccc(Br)c2)n[nH]1 ZINC000458017060 567513856 /nfs/dbraw/zinc/51/38/56/567513856.db2.gz DBEBHYRFTZXFKF-UHFFFAOYSA-N 0 1 395.301 3.340 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1cccs1 ZINC000570786446 567514021 /nfs/dbraw/zinc/51/40/21/567514021.db2.gz GXUTUHPMCBZMLH-GFCCVEGCSA-N 0 1 397.371 3.099 20 0 GGADMN O=C(NCCNCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccn[nH]1 ZINC000503952929 567514691 /nfs/dbraw/zinc/51/46/91/567514691.db2.gz PWSGRUUJYKMSAD-UHFFFAOYSA-N 0 1 379.247 3.496 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)CSCc2ccc(Br)cc2)n[nH]1 ZINC000458023605 567515012 /nfs/dbraw/zinc/51/50/12/567515012.db2.gz HQUCMGVLNITXBP-UHFFFAOYSA-N 0 1 397.342 3.414 20 0 GGADMN COc1cc(Br)ccc1CCC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458030091 567515390 /nfs/dbraw/zinc/51/53/90/567515390.db2.gz PSRFKVDTPYBXEQ-UHFFFAOYSA-N 0 1 395.301 3.122 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458027650 567515472 /nfs/dbraw/zinc/51/54/72/567515472.db2.gz RCLTWOYCMHIXFP-UHFFFAOYSA-N 0 1 387.303 3.173 20 0 GGADMN COc1ccc(Cl)cc1CN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000570831368 567516070 /nfs/dbraw/zinc/51/60/70/567516070.db2.gz YYJGTRBIFGZDBE-KRWDZBQOSA-N 0 1 380.897 3.163 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)c2c[nH]c3ccc(Br)cc23)n[nH]1 ZINC000458048974 567517390 /nfs/dbraw/zinc/51/73/90/567517390.db2.gz YNTZYRSOAKZELI-UHFFFAOYSA-N 0 1 376.258 3.276 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccsc1 ZINC000504003601 567517444 /nfs/dbraw/zinc/51/74/44/567517444.db2.gz FPKWRFFXXDGVJO-INIZCTEOSA-N 0 1 381.933 3.247 20 0 GGADMN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCCCc1cn[nH]n1 ZINC000620340599 567517628 /nfs/dbraw/zinc/51/76/28/567517628.db2.gz XZKNMUFRMMDYEL-HNNXBMFYSA-N 0 1 379.302 3.418 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000551560364 567517806 /nfs/dbraw/zinc/51/78/06/567517806.db2.gz WXDRMFNRQVPDIZ-AWEZNQCLSA-N 0 1 386.277 3.029 20 0 GGADMN CC1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000479238286 567517926 /nfs/dbraw/zinc/51/79/26/567517926.db2.gz CXZSCWNHIFEIQD-QGZVFWFLSA-N 0 1 399.304 3.220 20 0 GGADMN O=C(NCCCOc1ccc(Cl)cc1Cl)NCc1n[nH]c(C2CC2)n1 ZINC000458053715 567517955 /nfs/dbraw/zinc/51/79/55/567517955.db2.gz HDZXBUSUFGNTGX-UHFFFAOYSA-N 0 1 384.267 3.257 20 0 GGADMN CN1CC[C@@H]2CN(C(=O)c3scc(Br)c3Br)C[C@@H]21 ZINC000529454137 567518332 /nfs/dbraw/zinc/51/83/32/567518332.db2.gz URSYDQRQWREBCO-APPZFPTMSA-N 0 1 394.132 3.049 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000551572908 567518690 /nfs/dbraw/zinc/51/86/90/567518690.db2.gz TXWFFVMKRBFKNK-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)CCCC(=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000504021644 567519633 /nfs/dbraw/zinc/51/96/33/567519633.db2.gz DVZCOOKZCQRGFD-PBHICJAKSA-N 0 1 393.325 3.355 20 0 GGADMN Cc1cc2c(cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O)OCO2 ZINC000479270270 567520009 /nfs/dbraw/zinc/52/00/09/567520009.db2.gz ASCANLZAGKPEPW-UHFFFAOYSA-N 0 1 375.324 3.249 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000479264432 567520034 /nfs/dbraw/zinc/52/00/34/567520034.db2.gz VFAUXVTZIRSIHH-DLBZAZTESA-N 0 1 399.304 3.363 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2Cc3cccc(O)c3C2)c(Br)c1 ZINC000551580131 567520068 /nfs/dbraw/zinc/52/00/68/567520068.db2.gz XQSHABKRMQIUFV-CQSZACIVSA-N 0 1 376.250 3.198 20 0 GGADMN CCN(Cc1cc(Br)c(C)c(Br)c1)[C@H]1CCNC1=O ZINC000551582900 567520549 /nfs/dbraw/zinc/52/05/49/567520549.db2.gz DFKURIOFBAWFTK-ZDUSSCGKSA-N 0 1 390.119 3.230 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2cnc3ccsc3c2)c1C ZINC000479270839 567520640 /nfs/dbraw/zinc/52/06/40/567520640.db2.gz ANSMANXTWPNPOQ-UHFFFAOYSA-N 0 1 396.515 3.117 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000570893595 567520832 /nfs/dbraw/zinc/52/08/32/567520832.db2.gz QHPUDBWRJRQDDG-CZUORRHYSA-N 0 1 381.314 3.211 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccc3cc[nH]c3c2)CC1)c1cccs1 ZINC000529519150 567521776 /nfs/dbraw/zinc/52/17/76/567521776.db2.gz GWHKKMLDXCFFSH-UHFFFAOYSA-N 0 1 375.519 3.172 20 0 GGADMN CCOC(=O)Cn1nc(C)c(CNCc2cccc(Br)c2)c1C ZINC000438201400 567521959 /nfs/dbraw/zinc/52/19/59/567521959.db2.gz LTXAULRUILIAOK-UHFFFAOYSA-N 0 1 380.286 3.115 20 0 GGADMN CNS(=O)(=O)c1cc(NC(=O)c2cc3cc(C)ccc3s2)ccc1O ZINC000570916336 567522443 /nfs/dbraw/zinc/52/24/43/567522443.db2.gz STPMBLKHGYDAHH-UHFFFAOYSA-N 0 1 376.459 3.076 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC[N@H+]1C ZINC000438186253 567522611 /nfs/dbraw/zinc/52/26/11/567522611.db2.gz GJDRDSVFVUTAAN-HIFRSBDPSA-N 0 1 382.961 3.497 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC[N@H+]1C ZINC000438186255 567522698 /nfs/dbraw/zinc/52/26/98/567522698.db2.gz GJDRDSVFVUTAAN-ZFWWWQNUSA-N 0 1 382.961 3.497 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCCN(CC(=O)[O-])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000643876270 567522903 /nfs/dbraw/zinc/52/29/03/567522903.db2.gz PKJJTRJASWECNN-OTYXRUKQSA-N 0 1 377.243 3.249 20 0 GGADMN C[NH+](C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000438236343 567523497 /nfs/dbraw/zinc/52/34/97/567523497.db2.gz PCGHCEIQHZZTHS-UHFFFAOYSA-N 0 1 383.311 3.354 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000643978717 567525029 /nfs/dbraw/zinc/52/50/29/567525029.db2.gz XIOFJHDIXCJGND-QGZVFWFLSA-N 0 1 377.257 3.043 20 0 GGADMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000643982876 567525141 /nfs/dbraw/zinc/52/51/41/567525141.db2.gz PKMKCGGMDBEUPG-UHFFFAOYSA-N 0 1 381.194 3.264 20 0 GGADMN Clc1ccc(I)c(CNCCOC[C@@H]2CCOC2)c1 ZINC000594922522 567525298 /nfs/dbraw/zinc/52/52/98/567525298.db2.gz GKWJLOYYCYVBBH-LLVKDONJSA-N 0 1 395.668 3.087 20 0 GGADMN CSC[C@H](CCO)NCc1cc(Cl)ccc1I ZINC000594922668 567525706 /nfs/dbraw/zinc/52/57/06/567525706.db2.gz PMMDNNPFYYTWHJ-NSHDSACASA-N 0 1 385.698 3.148 20 0 GGADMN Cc1cc(=O)[nH]cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504223287 567525911 /nfs/dbraw/zinc/52/59/11/567525911.db2.gz ORVSGWWCQQXAHH-UHFFFAOYSA-N 0 1 395.637 3.451 20 0 GGADMN Clc1ccc(I)c(CNCCOC[C@H]2CCCO2)c1 ZINC000594925869 567527078 /nfs/dbraw/zinc/52/70/78/567527078.db2.gz QSSXALXXQNMNRY-CYBMUJFWSA-N 0 1 395.668 3.230 20 0 GGADMN Fc1cc(Br)cnc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000529537417 567526778 /nfs/dbraw/zinc/52/67/78/567526778.db2.gz RSIYARQRWGUPNQ-LLVKDONJSA-N 0 1 380.265 3.358 20 0 GGADMN Fc1cc(Br)cnc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000529537417 567526785 /nfs/dbraw/zinc/52/67/85/567526785.db2.gz RSIYARQRWGUPNQ-LLVKDONJSA-N 0 1 380.265 3.358 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](CO)c1ccccc1Cl)c1ccsc1 ZINC000479356410 567527675 /nfs/dbraw/zinc/52/76/75/567527675.db2.gz XSTCCTJMDVQLTP-YOEHRIQHSA-N 0 1 381.929 3.080 20 0 GGADMN Fc1cc(Br)cnc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000529537418 567527710 /nfs/dbraw/zinc/52/77/10/567527710.db2.gz RSIYARQRWGUPNQ-NSHDSACASA-N 0 1 380.265 3.358 20 0 GGADMN Fc1cc(Br)cnc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000529537418 567527715 /nfs/dbraw/zinc/52/77/15/567527715.db2.gz RSIYARQRWGUPNQ-NSHDSACASA-N 0 1 380.265 3.358 20 0 GGADMN CCOCCN1CCN(Cc2ncc(Cl)cc2Br)C[C@@H]1C ZINC000529532166 567527929 /nfs/dbraw/zinc/52/79/29/567527929.db2.gz WRWKVDRNQNYMDV-LBPRGKRZSA-N 0 1 376.726 3.040 20 0 GGADMN COCCO[C@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529552817 567528924 /nfs/dbraw/zinc/52/89/24/567528924.db2.gz WXNYNNPELRNFCH-LBPRGKRZSA-N 0 1 386.315 3.138 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCN(CC2CC2)CC1 ZINC000438355461 567529212 /nfs/dbraw/zinc/52/92/12/567529212.db2.gz NVZBKRRMTZXTBH-DLBZAZTESA-N 0 1 378.314 3.042 20 0 GGADMN Cc1nc(C)c(Br)c(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000663760086 567529419 /nfs/dbraw/zinc/52/94/19/567529419.db2.gz RQPLMQDSWLLADD-LBPRGKRZSA-N 0 1 377.290 3.235 20 0 GGADMN Cc1nc(C)c(Br)c(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000663760086 567529424 /nfs/dbraw/zinc/52/94/24/567529424.db2.gz RQPLMQDSWLLADD-LBPRGKRZSA-N 0 1 377.290 3.235 20 0 GGADMN C[C@@H]1[C@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)CCCN1C ZINC000504307531 567529657 /nfs/dbraw/zinc/52/96/57/567529657.db2.gz RICZQCCZXOHKAU-CZUORRHYSA-N 0 1 381.314 3.401 20 0 GGADMN C[C@H]1[C@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)CCCN1C ZINC000504307532 567530090 /nfs/dbraw/zinc/53/00/90/567530090.db2.gz RICZQCCZXOHKAU-XJKSGUPXSA-N 0 1 381.314 3.401 20 0 GGADMN CC[C@H](C(=O)N(C)CCn1cc(Br)cn1)N(C)Cc1ccccc1 ZINC000571012732 567530414 /nfs/dbraw/zinc/53/04/14/567530414.db2.gz QZBOPNCGDSNIRL-QGZVFWFLSA-N 0 1 393.329 3.015 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000551690697 567530480 /nfs/dbraw/zinc/53/04/80/567530480.db2.gz LJIADRPUKAUFRM-UHFFFAOYSA-N 0 1 389.257 3.145 20 0 GGADMN C[C@H](N[C@H](CO)CC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479392467 567530517 /nfs/dbraw/zinc/53/05/17/567530517.db2.gz LSUQYAIYCYCGOZ-UWVGGRQHSA-N 0 1 383.341 3.089 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@H](C)c1ccc(Br)s1 ZINC000644092673 567530568 /nfs/dbraw/zinc/53/05/68/567530568.db2.gz RISQTDZDPLSIOO-ZYHUDNBSSA-N 0 1 383.311 3.439 20 0 GGADMN C[S@](=O)[C@H]1CCC[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000594962257 567531133 /nfs/dbraw/zinc/53/11/33/567531133.db2.gz QRHZXNWJTOVUMQ-FVLHQSPCSA-N 0 1 387.336 3.353 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000644094156 567531171 /nfs/dbraw/zinc/53/11/71/567531171.db2.gz SWRAOMSCMURVGC-MLGOLLRUSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000644092671 567531242 /nfs/dbraw/zinc/53/12/42/567531242.db2.gz RISQTDZDPLSIOO-JQWIXIFHSA-N 0 1 383.311 3.439 20 0 GGADMN C[S@](=O)[C@H]1CCC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000594964036 567531340 /nfs/dbraw/zinc/53/13/40/567531340.db2.gz YXPGNXJEQPHZKV-CUXVXRRMSA-N 0 1 387.336 3.353 20 0 GGADMN C[C@H](C[C@@H]1CCCO1)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458211976 567532154 /nfs/dbraw/zinc/53/21/54/567532154.db2.gz BEATZGXXLHBOKY-MNOVXSKESA-N 0 1 381.274 3.082 20 0 GGADMN C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(Br)ccc1[O-] ZINC000458207718 567532277 /nfs/dbraw/zinc/53/22/77/567532277.db2.gz WGKGZOPGVSJADF-UHFFFAOYSA-N 0 1 383.311 3.420 20 0 GGADMN CO[C@@H](CNCc1ncc(I)s1)C1CCCCC1 ZINC000594995613 567532595 /nfs/dbraw/zinc/53/25/95/567532595.db2.gz NUZNSGSOFFGTMQ-NSHDSACASA-N 0 1 380.295 3.433 20 0 GGADMN CCC1(CC)CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000438508314 567532816 /nfs/dbraw/zinc/53/28/16/567532816.db2.gz MGJALLDFRGZMCS-UHFFFAOYSA-N 0 1 396.329 3.016 20 0 GGADMN CC(C)[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1F ZINC000479404343 567533263 /nfs/dbraw/zinc/53/32/63/567533263.db2.gz CSYUKLNQUOOZRI-GUYCJALGSA-N 0 1 389.489 3.148 20 0 GGADMN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ncc(I)s1 ZINC000595001660 567534492 /nfs/dbraw/zinc/53/44/92/567534492.db2.gz UZNVOMSEUQPXPQ-JQWIXIFHSA-N 0 1 388.274 3.002 20 0 GGADMN COc1ccc(CN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1Cl ZINC000479415201 567534974 /nfs/dbraw/zinc/53/49/74/567534974.db2.gz XQXFURVYVNIURO-ZDUSSCGKSA-N 0 1 382.913 3.464 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)c(Br)c2)C[C@@H](C)O1 ZINC000438586201 567535852 /nfs/dbraw/zinc/53/58/52/567535852.db2.gz YRFJRRJLKZHHDW-VXGBXAGGSA-N 0 1 388.281 3.209 20 0 GGADMN Clc1cnc(CN2CCC[C@@H](N3CCOCC3)CC2)c(Br)c1 ZINC000529621507 567535827 /nfs/dbraw/zinc/53/58/27/567535827.db2.gz LDLGTISQNVZLDO-CQSZACIVSA-N 0 1 388.737 3.184 20 0 GGADMN O=S1(=O)CC[C@@H](NCC2(C(F)F)CC2)c2cc(Br)ccc21 ZINC000479447820 567536235 /nfs/dbraw/zinc/53/62/35/567536235.db2.gz CZSTVJUHYNYZBV-LLVKDONJSA-N 0 1 380.254 3.303 20 0 GGADMN Brc1ccc(-c2n[nH]cc2CN2CCC[C@@H](n3ccnn3)C2)s1 ZINC000529610994 567536278 /nfs/dbraw/zinc/53/62/78/567536278.db2.gz HKSFEMNPYGLXKD-GFCCVEGCSA-N 0 1 393.314 3.329 20 0 GGADMN Brc1cc2c(cc1Cc1noc(-c3ccc4cncn4c3)n1)OCO2 ZINC000571086116 567536492 /nfs/dbraw/zinc/53/64/92/567536492.db2.gz VBQQLCBCRRACSU-UHFFFAOYSA-N 0 1 399.204 3.466 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)c(Br)c1 ZINC000551803014 567536884 /nfs/dbraw/zinc/53/68/84/567536884.db2.gz CWWGQTNXKTZPBB-MRXNPFEDSA-N 0 1 396.256 3.068 20 0 GGADMN COc1ccncc1CN[C@@H]1CCc2ccc(I)cc21 ZINC000595038918 567537097 /nfs/dbraw/zinc/53/70/97/567537097.db2.gz QDRRSYZEWSPROT-OAHLLOKOSA-N 0 1 380.229 3.472 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000438615227 567537232 /nfs/dbraw/zinc/53/72/32/567537232.db2.gz XTEDIPVBKRBHMT-TXEJJXNPSA-N 0 1 388.281 3.209 20 0 GGADMN CCc1nc([C@@H](C)N[C@@H]2CCc3ccc(I)cc32)n[nH]1 ZINC000595035896 567538066 /nfs/dbraw/zinc/53/80/66/567538066.db2.gz NCNVIUFAHWSTRS-NOZJJQNGSA-N 0 1 382.249 3.310 20 0 GGADMN CCc1[nH]nc(C(=O)N(CC)CCOc2ccccc2OC)c1Br ZINC000620715796 567538505 /nfs/dbraw/zinc/53/85/05/567538505.db2.gz WMUQSJMONHUZIB-UHFFFAOYSA-N 0 1 396.285 3.284 20 0 GGADMN COC1(CN(CCNC(C)=O)Cc2ccc(Br)s2)CCCC1 ZINC000504539077 567538752 /nfs/dbraw/zinc/53/87/52/567538752.db2.gz BQDZBPYYKMMTDQ-UHFFFAOYSA-N 0 1 389.359 3.408 20 0 GGADMN O=C(CCN1CCN(C[C@@H]2CCCO2)CC1)Nc1cc(Cl)ccc1Cl ZINC000644193462 567538920 /nfs/dbraw/zinc/53/89/20/567538920.db2.gz VCXSDSIYUYSUJB-HNNXBMFYSA-N 0 1 386.323 3.119 20 0 GGADMN O=C(CCN1CCN(C[C@@H]2CCCO2)CC1)Nc1c(Cl)cccc1Cl ZINC000644193379 567539774 /nfs/dbraw/zinc/53/97/74/567539774.db2.gz DMIWEDRBXPBWOE-AWEZNQCLSA-N 0 1 386.323 3.119 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCCCc2ccc(Br)cc2F)n[nH]1 ZINC000551843725 567539794 /nfs/dbraw/zinc/53/97/94/567539794.db2.gz IUBCIGXAEIVZCI-JTQLQIEISA-N 0 1 398.280 3.262 20 0 GGADMN COC(=O)[C@]1(C)CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C ZINC000504560637 567539964 /nfs/dbraw/zinc/53/99/64/567539964.db2.gz IOWZTHZXSLZXHO-KZULUSFZSA-N 0 1 392.297 3.470 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000458323526 567540475 /nfs/dbraw/zinc/54/04/75/567540475.db2.gz ZTUPFNCQWIJTHI-LKFCYVNXSA-N 0 1 396.314 3.192 20 0 GGADMN CCc1nc(CNC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000458368532 567541320 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COC(=O)[C@@H](CC(C)C)NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000438742165 567542624 /nfs/dbraw/zinc/54/26/24/567542624.db2.gz VUQFVNNJBTUOCG-OAHLLOKOSA-N 0 1 387.307 3.276 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@H](c2nccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175774 567542798 /nfs/dbraw/zinc/54/27/98/567542798.db2.gz MNHWAYZAVRZCAI-OCCSQVGLSA-N 0 1 381.307 3.394 20 0 GGADMN Cc1cc(Cl)cc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1O ZINC000438763387 567543108 /nfs/dbraw/zinc/54/31/08/567543108.db2.gz ATMPUVHEBPFEJH-UHFFFAOYSA-N 0 1 380.853 3.047 20 0 GGADMN C[N@@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000571171931 567544010 /nfs/dbraw/zinc/54/40/10/567544010.db2.gz FBPPEPVTGKHWJH-OAHLLOKOSA-N 0 1 394.265 3.019 20 0 GGADMN C[N@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000571171931 567544017 /nfs/dbraw/zinc/54/40/17/567544017.db2.gz FBPPEPVTGKHWJH-OAHLLOKOSA-N 0 1 394.265 3.019 20 0 GGADMN O=S(=O)(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(Cl)sc1Cl ZINC000644273492 567545100 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O=S(=O)(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Cl)c(F)c1Cl ZINC000644277836 567546792 /nfs/dbraw/zinc/54/67/92/567546792.db2.gz LHDFZVHNQQCCDY-KGFZYKRKSA-N 0 1 396.189 3.257 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)cs1 ZINC000438805011 567546804 /nfs/dbraw/zinc/54/68/04/567546804.db2.gz YYKCGEAOXXHYMK-UHFFFAOYSA-N 0 1 378.431 3.299 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2C)cs1 ZINC000438811975 567547802 /nfs/dbraw/zinc/54/78/02/567547802.db2.gz QWOOBAOKDDSOKY-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000551986688 567548086 /nfs/dbraw/zinc/54/80/86/567548086.db2.gz JWOWZKYUNFKCGD-HOCLYGCPSA-N 0 1 377.535 3.057 20 0 GGADMN CCc1cnc(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000458467896 567548601 /nfs/dbraw/zinc/54/86/01/567548601.db2.gz DTIXHPVGRJQSLA-UHFFFAOYSA-N 0 1 394.298 3.344 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458469612 567549364 /nfs/dbraw/zinc/54/93/64/567549364.db2.gz XMEKTJOFXGAYHX-JTQLQIEISA-N 0 1 383.290 3.328 20 0 GGADMN CO[C@@]1(C(F)(F)F)CCCN(C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000664043684 567550606 /nfs/dbraw/zinc/55/06/06/567550606.db2.gz SKUQFNOTHMIPNN-BBRMVZONSA-N 0 1 379.444 3.192 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000595279052 567551264 /nfs/dbraw/zinc/55/12/64/567551264.db2.gz DIWLKHUIFQGCSF-YYULODDRSA-N 0 1 377.893 3.248 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000458509962 567551622 /nfs/dbraw/zinc/55/16/22/567551622.db2.gz CWHRYVXQENMJCT-UHFFFAOYSA-N 0 1 380.182 3.055 20 0 GGADMN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458516767 567551901 /nfs/dbraw/zinc/55/19/01/567551901.db2.gz UMWQUKPCCUPSHH-BDJLRTHQSA-N 0 1 395.301 3.186 20 0 GGADMN COc1cc(Br)c(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000644428622 567552220 /nfs/dbraw/zinc/55/22/20/567552220.db2.gz YYIQIPNWEDAGJB-LKFCYVNXSA-N 0 1 398.219 3.402 20 0 GGADMN COC(=O)c1nc[nH]c1NC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000571342282 567554410 /nfs/dbraw/zinc/55/44/10/567554410.db2.gz ZFKYZFDNLNLFAA-QMMMGPOBSA-N 0 1 384.205 3.230 20 0 GGADMN O=C(CCN[C@H]1CCS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000644516273 567554595 /nfs/dbraw/zinc/55/45/95/567554595.db2.gz LQJTZRVFXRVJDP-INIZCTEOSA-N 0 1 378.881 3.177 20 0 GGADMN CC1(N2CCOCC2)CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000529908305 567555268 /nfs/dbraw/zinc/55/52/68/567555268.db2.gz HYNMZJMRUVEDBJ-UHFFFAOYSA-N 0 1 375.271 3.459 20 0 GGADMN Cc1nnc(SCC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)[nH]1 ZINC000571351641 567556058 /nfs/dbraw/zinc/55/60/58/567556058.db2.gz HHCRBXUDIGWRJF-OAHLLOKOSA-N 0 1 380.901 3.143 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)n1 ZINC000571351641 567556066 /nfs/dbraw/zinc/55/60/66/567556066.db2.gz HHCRBXUDIGWRJF-OAHLLOKOSA-N 0 1 380.901 3.143 20 0 GGADMN Cc1nnc(SCC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)[nH]1 ZINC000571351640 567556755 /nfs/dbraw/zinc/55/67/55/567556755.db2.gz HHCRBXUDIGWRJF-HNNXBMFYSA-N 0 1 380.901 3.143 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)n1 ZINC000571351640 567556759 /nfs/dbraw/zinc/55/67/59/567556759.db2.gz HHCRBXUDIGWRJF-HNNXBMFYSA-N 0 1 380.901 3.143 20 0 GGADMN Cc1ccc2nc(CNC[C@H](O)COc3ccc(Cl)c(Cl)c3)cn2c1 ZINC000644527568 567556949 /nfs/dbraw/zinc/55/69/49/567556949.db2.gz BBZARIMMXZAKPM-AWEZNQCLSA-N 0 1 380.275 3.479 20 0 GGADMN CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000505072271 567557037 /nfs/dbraw/zinc/55/70/37/567557037.db2.gz UPFZOWLPTNXZBU-UHFFFAOYSA-N 0 1 381.180 3.271 20 0 GGADMN CC(C)[C@@H]1C[C@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000458607080 567557164 /nfs/dbraw/zinc/55/71/64/567557164.db2.gz JIQFJGZXEPRAJZ-RISCZKNCSA-N 0 1 395.301 3.328 20 0 GGADMN CC[C@@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)[C@H]1CCCO1 ZINC000458599477 567557308 /nfs/dbraw/zinc/55/73/08/567557308.db2.gz MREXLRRCWVTITL-DGCLKSJQSA-N 0 1 381.274 3.082 20 0 GGADMN CC[C@@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCCO1 ZINC000458599483 567557523 /nfs/dbraw/zinc/55/75/23/567557523.db2.gz MREXLRRCWVTITL-YPMHNXCESA-N 0 1 381.274 3.082 20 0 GGADMN CCc1nc(C2CCN(c3ncnc4cc(Br)ccc43)CC2)n[nH]1 ZINC000571374159 567558227 /nfs/dbraw/zinc/55/82/27/567558227.db2.gz APORFGCXYBNDQQ-UHFFFAOYSA-N 0 1 387.285 3.457 20 0 GGADMN CCc1nnc(C2CCN(c3ncnc4cc(Br)ccc43)CC2)[nH]1 ZINC000571374159 567558228 /nfs/dbraw/zinc/55/82/28/567558228.db2.gz APORFGCXYBNDQQ-UHFFFAOYSA-N 0 1 387.285 3.457 20 0 GGADMN C[C@@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCCCO1 ZINC000458618549 567558781 /nfs/dbraw/zinc/55/87/81/567558781.db2.gz AWNGTJOHYRLGOL-MFKMUULPSA-N 0 1 381.274 3.082 20 0 GGADMN C[C@H](C[S@](C)=O)NC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000458632778 567560045 /nfs/dbraw/zinc/56/00/45/567560045.db2.gz BRGZNNGIJJUQOU-VILLYWCTSA-N 0 1 382.917 3.220 20 0 GGADMN CNC(=O)CCCN(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000571414281 567560564 /nfs/dbraw/zinc/56/05/64/567560564.db2.gz KOALEJCKVOQHNZ-MRXNPFEDSA-N 0 1 383.330 3.265 20 0 GGADMN CS[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000458648232 567561827 /nfs/dbraw/zinc/56/18/27/567561827.db2.gz OOKLSSNYYAGRFX-CABCVRRESA-N 0 1 375.460 3.455 20 0 GGADMN O=C(NCC(F)(F)F)C1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000552137941 567562217 /nfs/dbraw/zinc/56/22/17/567562217.db2.gz UIQFVPPRKPFLKO-UHFFFAOYSA-N 0 1 382.785 3.248 20 0 GGADMN Cc1nc(CC(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c(C)s1 ZINC000552128084 567562337 /nfs/dbraw/zinc/56/23/37/567562337.db2.gz GBLHPTFRGLQGRL-UHFFFAOYSA-N 0 1 375.885 3.100 20 0 GGADMN O[C@@H](CN[C@H]1COc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000571433486 567562344 /nfs/dbraw/zinc/56/23/44/567562344.db2.gz GVALUUDVVZUFHA-BBRMVZONSA-N 0 1 382.229 3.051 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@](C)(O)CSc1cccc(F)c1)c1cccs1 ZINC000505165279 567562708 /nfs/dbraw/zinc/56/27/08/567562708.db2.gz WYSWEAUHVCYWMJ-YJBOKZPZSA-N 0 1 382.526 3.149 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cnnn1-c1ccccc1Cl)c1cccs1 ZINC000621133642 567563545 /nfs/dbraw/zinc/56/35/45/567563545.db2.gz LBUOGRPAJXEUNJ-CQSZACIVSA-N 0 1 375.885 3.015 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)cs2)cc1 ZINC000571453663 567563583 /nfs/dbraw/zinc/56/35/83/567563583.db2.gz XWMYXQFPRAKEEE-HOTGVXAUSA-N 0 1 376.503 3.215 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)cs2)cc1 ZINC000571453663 567563589 /nfs/dbraw/zinc/56/35/89/567563589.db2.gz XWMYXQFPRAKEEE-HOTGVXAUSA-N 0 1 376.503 3.215 20 0 GGADMN COc1cc2nccc(N3CC[C@@H]4NC(=O)CC[C@H]4C3)c2cc1Br ZINC000664338483 567563927 /nfs/dbraw/zinc/56/39/27/567563927.db2.gz SKWSGLIHPUDJNQ-FZMZJTMJSA-N 0 1 390.281 3.111 20 0 GGADMN O=C(NCCCc1nc[nH]n1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000664387925 567566676 /nfs/dbraw/zinc/56/66/76/567566676.db2.gz BHJADVRMZPIIOV-UHFFFAOYSA-N 0 1 394.209 3.145 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(Br)c1 ZINC000595482337 567566934 /nfs/dbraw/zinc/56/69/34/567566934.db2.gz NQIYNYLEAYQZFW-STQMWFEESA-N 0 1 398.219 3.273 20 0 GGADMN COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000552195038 567567454 /nfs/dbraw/zinc/56/74/54/567567454.db2.gz NLLIBAGOTAUQHW-CYBMUJFWSA-N 0 1 393.336 3.048 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)NCc1cc(Br)cc2c1OCC2 ZINC000505293695 567568909 /nfs/dbraw/zinc/56/89/09/567568909.db2.gz LOHZTXSXQZLRJL-UHFFFAOYSA-N 0 1 386.249 3.119 20 0 GGADMN CCCC[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000571529526 567569287 /nfs/dbraw/zinc/56/92/87/567569287.db2.gz MAUAEMROLVXPDA-ZDUSSCGKSA-N 0 1 381.519 3.389 20 0 GGADMN C[C@@H]1CC(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000458739561 567569532 /nfs/dbraw/zinc/56/95/32/567569532.db2.gz RIOIFJKJFLTLAN-GHMZBOCLSA-N 0 1 395.301 3.328 20 0 GGADMN Cc1cccc(OC[C@H](O)CNCc2nc3c(cccc3Br)[nH]2)c1 ZINC000644666898 567569686 /nfs/dbraw/zinc/56/96/86/567569686.db2.gz QNNBZQAYKQSTPC-CYBMUJFWSA-N 0 1 390.281 3.163 20 0 GGADMN Cn1c(=O)[nH]c2ccc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)cc21 ZINC000505310756 567569750 /nfs/dbraw/zinc/56/97/50/567569750.db2.gz MHJBIGALYSLVCU-UHFFFAOYSA-N 0 1 386.209 3.170 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)c(Cl)c1 ZINC000439198530 567570082 /nfs/dbraw/zinc/57/00/82/567570082.db2.gz KLGOQZVZNRZOOI-OAHLLOKOSA-N 0 1 376.869 3.029 20 0 GGADMN Brc1cnnc(NC2(CN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000664465803 567570221 /nfs/dbraw/zinc/57/02/21/567570221.db2.gz QWZKOSAPEQKCOT-UHFFFAOYSA-N 0 1 388.313 3.006 20 0 GGADMN COC(=O)c1cnc([C@@H](C)NCC[C@@H]2Sc3ccccc3NC2=O)s1 ZINC000595548239 567570391 /nfs/dbraw/zinc/57/03/91/567570391.db2.gz BHVVAEPUTJCOIA-MFKMUULPSA-N 0 1 377.491 3.083 20 0 GGADMN CN(C(=O)N[C@H]1CCCc2cn[nH]c21)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664469437 567570676 /nfs/dbraw/zinc/57/06/76/567570676.db2.gz IHZWDRRFKGSLRG-KBPBESRZSA-N 0 1 383.279 3.469 20 0 GGADMN O=S(=O)(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000439197645 567570679 /nfs/dbraw/zinc/57/06/79/567570679.db2.gz KABBXKPNYVURNQ-HNNXBMFYSA-N 0 1 397.287 3.374 20 0 GGADMN COc1cccc(OC(F)(F)F)c1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000552242874 567570681 /nfs/dbraw/zinc/57/06/81/567570681.db2.gz HHFWGDTUELIIJC-NWDGAFQWSA-N 0 1 381.416 3.039 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)c(Cl)c1 ZINC000439198529 567570736 /nfs/dbraw/zinc/57/07/36/567570736.db2.gz KLGOQZVZNRZOOI-HNNXBMFYSA-N 0 1 376.869 3.029 20 0 GGADMN O=S(=O)(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000439193343 567570822 /nfs/dbraw/zinc/57/08/22/567570822.db2.gz RKANCEZEMONOPH-AWEZNQCLSA-N 0 1 397.287 3.374 20 0 GGADMN COc1cc(NC[C@H](O)C[N@@H+](C)Cc2ccccc2)ccc1Br ZINC000644692771 567570947 /nfs/dbraw/zinc/57/09/47/567570947.db2.gz HHPUMVAKXLCMPN-INIZCTEOSA-N 0 1 379.298 3.363 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc2c(cc1Br)OCO2)c1cccs1 ZINC000621266240 567571564 /nfs/dbraw/zinc/57/15/64/567571564.db2.gz DJKURYSFOSEZLA-LBPRGKRZSA-N 0 1 397.294 3.272 20 0 GGADMN Clc1cnc(N2CCC(CCN3CCOCC3)CC2)c(Br)c1 ZINC000479968311 567571671 /nfs/dbraw/zinc/57/16/71/567571671.db2.gz RHNYWGRNYZGATD-UHFFFAOYSA-N 0 1 388.737 3.436 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000439216348 567572105 /nfs/dbraw/zinc/57/21/05/567572105.db2.gz OQRBWFQIYFLWKA-GFCCVEGCSA-N 0 1 384.851 3.464 20 0 GGADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000439206506 567572303 /nfs/dbraw/zinc/57/23/03/567572303.db2.gz ZDVSVOFGUVCFRR-OAHLLOKOSA-N 0 1 397.287 3.374 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000458761962 567572660 /nfs/dbraw/zinc/57/26/60/567572660.db2.gz MIJNUAMKPBTCKZ-GUYCJALGSA-N 0 1 395.345 3.421 20 0 GGADMN CCN1C[C@H](C)N(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)C[C@@H]1C ZINC000505379332 567573069 /nfs/dbraw/zinc/57/30/69/567573069.db2.gz JLAVFCDMLPXBTE-DCGLDWPTSA-N 0 1 395.345 3.419 20 0 GGADMN CN(C(=O)NC1CC(C(F)(F)F)C1)C1CCN(CCC(F)(F)F)CC1 ZINC000458770545 567573967 /nfs/dbraw/zinc/57/39/67/567573967.db2.gz QHBVHJKQMGCFPU-UHFFFAOYSA-N 0 1 375.357 3.386 20 0 GGADMN COCC1(NCc2nc(-c3cccc(Br)c3)c[nH]2)CCOCC1 ZINC000552296319 567574971 /nfs/dbraw/zinc/57/49/71/567574971.db2.gz GUBOYTHWEOGFOU-UHFFFAOYSA-N 0 1 380.286 3.124 20 0 GGADMN O=C(NCCN1CCCOCC1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000458837413 567576503 /nfs/dbraw/zinc/57/65/03/567576503.db2.gz FOFGONUZZSNEDC-UHFFFAOYSA-N 0 1 386.323 3.390 20 0 GGADMN Cc1ncoc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000571616911 567576568 /nfs/dbraw/zinc/57/65/68/567576568.db2.gz GUHSBWIXVGRCKK-LLVKDONJSA-N 0 1 393.285 3.138 20 0 GGADMN COCC1(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCOCC1 ZINC000552311992 567576784 /nfs/dbraw/zinc/57/67/84/567576784.db2.gz LFPVHBOLOLJZJT-UHFFFAOYSA-N 0 1 380.286 3.124 20 0 GGADMN CC1(C)C[N@H+](C2(CN=c3[n-]nc(C(F)(F)F)s3)CCCCC2)CCO1 ZINC000480035347 567577286 /nfs/dbraw/zinc/57/72/86/567577286.db2.gz JBMKZDNQDNVWFG-UHFFFAOYSA-N 0 1 378.464 3.204 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)[C@H](C(=O)[O-])C1 ZINC000530164995 567578177 /nfs/dbraw/zinc/57/81/77/567578177.db2.gz GDHUEWAGMYQCPW-FZMZJTMJSA-N 0 1 376.678 3.475 20 0 GGADMN Cc1ccc2[nH]c(CNC[C@H](O)COc3ccc(Br)cc3)nc2c1 ZINC000571634435 567578072 /nfs/dbraw/zinc/57/80/72/567578072.db2.gz RSTJJCPZEZITDK-AWEZNQCLSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc2nc(CNC[C@H](O)COc3ccc(Br)cc3)[nH]c2c1 ZINC000571634435 567578080 /nfs/dbraw/zinc/57/80/80/567578080.db2.gz RSTJJCPZEZITDK-AWEZNQCLSA-N 0 1 390.281 3.163 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)[C@@H](C(=O)[O-])C1 ZINC000530164982 567578490 /nfs/dbraw/zinc/57/84/90/567578490.db2.gz GDHUEWAGMYQCPW-BXUZGUMPSA-N 0 1 376.678 3.475 20 0 GGADMN O=S(=O)(N[C@H]1CCCOc2c(F)cccc21)c1c(F)cc(F)cc1F ZINC000480050204 567578979 /nfs/dbraw/zinc/57/89/79/567578979.db2.gz XLQSRYJKHSHITC-AWEZNQCLSA-N 0 1 375.343 3.435 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000530178970 567580260 /nfs/dbraw/zinc/58/02/60/567580260.db2.gz JSJSLYFNWVDXSW-YVECIDJPSA-N 0 1 376.280 3.307 20 0 GGADMN CCC[C@@H](NC(=O)c1cc(F)c(Br)c(Cl)c1)c1nn[nH]n1 ZINC000552341611 567580310 /nfs/dbraw/zinc/58/03/10/567580310.db2.gz PHPFWRCXJQLCBU-SECBINFHSA-N 0 1 376.617 3.026 20 0 GGADMN OCCN(Cc1coc(-c2ccc(I)cc2)n1)C1CCC1 ZINC000439303515 567580318 /nfs/dbraw/zinc/58/03/18/567580318.db2.gz PBVGHCVSHRVNLH-UHFFFAOYSA-N 0 1 398.244 3.293 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N2CC[C@H](c3nc[nH]n3)C2)ccc1Br ZINC000644829680 567580527 /nfs/dbraw/zinc/58/05/27/567580527.db2.gz RGKNDXHMDZIZGM-AWEZNQCLSA-N 0 1 391.313 3.460 20 0 GGADMN CCCc1ccc(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)s1 ZINC000621352973 567581288 /nfs/dbraw/zinc/58/12/88/567581288.db2.gz HEYRASUZMRPGIA-UHFFFAOYSA-N 0 1 381.567 3.153 20 0 GGADMN CCc1nc(CNC(=O)N2CCC(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000458875438 567582539 /nfs/dbraw/zinc/58/25/39/567582539.db2.gz QNIWWSKYAGGIIC-UHFFFAOYSA-N 0 1 392.301 3.219 20 0 GGADMN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(c2cccc(Br)c2)CC1 ZINC000439322902 567582544 /nfs/dbraw/zinc/58/25/44/567582544.db2.gz QGHXXDJQAKSCML-CYBMUJFWSA-N 0 1 396.329 3.251 20 0 GGADMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2cccc(Br)c2)CC1 ZINC000439324579 567582642 /nfs/dbraw/zinc/58/26/42/567582642.db2.gz OQRWQBHSXPTESM-RDTXWAMCSA-N 0 1 395.341 3.312 20 0 GGADMN COc1cc(Br)c(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1O ZINC000644838573 567582734 /nfs/dbraw/zinc/58/27/34/567582734.db2.gz RISXCQCMRSWFRQ-ZANVPECISA-N 0 1 384.192 3.099 20 0 GGADMN CC[C@@H](CSC)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480159823 567582873 /nfs/dbraw/zinc/58/28/73/567582873.db2.gz MOZHALNHZMNICN-AAEUAGOBSA-N 0 1 378.357 3.399 20 0 GGADMN CN(C)S(=O)(=O)CCCN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000571718181 567583184 /nfs/dbraw/zinc/58/31/84/567583184.db2.gz FGVOKFMXHCEUQP-UHFFFAOYSA-N 0 1 379.353 3.454 20 0 GGADMN CC[C@@H](NC(=O)NCCCc1nc[nH]n1)c1cc(F)cc(Br)c1 ZINC000664712480 567584482 /nfs/dbraw/zinc/58/44/82/567584482.db2.gz SOWPUULYHUFBAG-CYBMUJFWSA-N 0 1 384.253 3.089 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000595826156 567584432 /nfs/dbraw/zinc/58/44/32/567584432.db2.gz XIPNWOBCYALMJE-AWEZNQCLSA-N 0 1 379.555 3.465 20 0 GGADMN Cc1cnc(CCN[C@@H](c2ccc(Br)cc2)c2cncnc2)nc1 ZINC000480168643 567584537 /nfs/dbraw/zinc/58/45/37/567584537.db2.gz KNKFZBCYBAEOKX-SFHVURJKSA-N 0 1 384.281 3.259 20 0 GGADMN CCc1nc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)n[nH]1 ZINC000458894607 567584753 /nfs/dbraw/zinc/58/47/53/567584753.db2.gz ZYNTYWIXTCAKKH-UHFFFAOYSA-N 0 1 380.290 3.250 20 0 GGADMN C[C@@H](CCS(C)(=O)=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000571725147 567584920 /nfs/dbraw/zinc/58/49/20/567584920.db2.gz IOPSDWGMJBSWJJ-VIFPVBQESA-N 0 1 388.249 3.381 20 0 GGADMN Cc1cc([C@H]2CCCN2C[C@H](O)COc2cc(F)cc(Br)c2)on1 ZINC000439431790 567585101 /nfs/dbraw/zinc/58/51/01/567585101.db2.gz RMNIOYDPUPTVTO-GOEBONIOSA-N 0 1 399.260 3.461 20 0 GGADMN C[C@@H](c1cccnc1)N(C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439435374 567585249 /nfs/dbraw/zinc/58/52/49/567585249.db2.gz GQCWBYWKJYRFOZ-LRDDRELGSA-N 0 1 383.261 3.416 20 0 GGADMN Cc1cc([C@@H]2CCCN2C[C@@H](O)COc2cc(F)cc(Br)c2)on1 ZINC000439431792 567585285 /nfs/dbraw/zinc/58/52/85/567585285.db2.gz RMNIOYDPUPTVTO-ZBFHGGJFSA-N 0 1 399.260 3.461 20 0 GGADMN Fc1cc(Br)ccc1[C@@H](NC[C@H]1COCCN1)c1ccccc1 ZINC000530223931 567585464 /nfs/dbraw/zinc/58/54/64/567585464.db2.gz JBIDKUDRTVDNLQ-YJBOKZPZSA-N 0 1 379.273 3.256 20 0 GGADMN Fc1ccc(Br)cc1[C@@H](NC[C@H]1COCCN1)c1ccccc1 ZINC000530226643 567586269 /nfs/dbraw/zinc/58/62/69/567586269.db2.gz PFPSTAMLQIKPOG-YJBOKZPZSA-N 0 1 379.273 3.256 20 0 GGADMN Fc1ccc(Br)cc1[C@H](NC[C@H]1COCCN1)c1ccccc1 ZINC000530226641 567586425 /nfs/dbraw/zinc/58/64/25/567586425.db2.gz PFPSTAMLQIKPOG-MAUKXSAKSA-N 0 1 379.273 3.256 20 0 GGADMN C[C@@H](c1ccccn1)N(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439441689 567586613 /nfs/dbraw/zinc/58/66/13/567586613.db2.gz SXZOHEIBPQISPL-SWLSCSKDSA-N 0 1 383.261 3.416 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cccc(Br)c2O)C1 ZINC000571757784 567586894 /nfs/dbraw/zinc/58/68/94/567586894.db2.gz HVZRHNSHKHAQHW-KRWDZBQOSA-N 0 1 384.270 3.349 20 0 GGADMN C[C@H](c1ccccn1)N(C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439441687 567587318 /nfs/dbraw/zinc/58/73/18/567587318.db2.gz 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567588761 /nfs/dbraw/zinc/58/87/61/567588761.db2.gz RPMJNXFRBVZAKW-UHFFFAOYSA-N 0 1 392.240 3.319 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@](C)(O)CSc1cccc(F)c1)c1ccsc1 ZINC000505614139 567588960 /nfs/dbraw/zinc/58/89/60/567588960.db2.gz VXUSNWBPLVZCTC-WMZOPIPTSA-N 0 1 382.526 3.149 20 0 GGADMN O[C@@H](COc1cc(F)cc(Br)c1)CN1CCc2ccsc2C1 ZINC000439453868 567589203 /nfs/dbraw/zinc/58/92/03/567589203.db2.gz QGJFGMVVWNXUET-CQSZACIVSA-N 0 1 386.286 3.448 20 0 GGADMN CSCCCN(C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000439471291 567589373 /nfs/dbraw/zinc/58/93/73/567589373.db2.gz FYMGDONGZYSHCE-NSHDSACASA-N 0 1 392.306 3.303 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c(=O)[nH]1 ZINC000480222565 567589865 /nfs/dbraw/zinc/58/98/65/567589865.db2.gz HODSNVXCULBUKI-UHFFFAOYSA-N 0 1 395.637 3.451 20 0 GGADMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1csc(=NC2CC2)[nH]1 ZINC000552430698 567590271 /nfs/dbraw/zinc/59/02/71/567590271.db2.gz ZUYAMTRCSZDENL-AWEZNQCLSA-N 0 1 393.310 3.178 20 0 GGADMN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000552448036 567590867 /nfs/dbraw/zinc/59/08/67/567590867.db2.gz MLBUOELTAJNZJY-HNNXBMFYSA-N 0 1 397.313 3.020 20 0 GGADMN Cc1noc(C)c1CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240023 567591239 /nfs/dbraw/zinc/59/12/39/567591239.db2.gz GZKBTJUPRDHWSC-HNNXBMFYSA-N 0 1 399.310 3.105 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(CCN(C)C)C1CC1 ZINC000505668782 567591602 /nfs/dbraw/zinc/59/16/02/567591602.db2.gz KXHDNIWPNFTQHU-CYBMUJFWSA-N 0 1 381.314 3.211 20 0 GGADMN CCC(CC)[C@@H](O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480245381 567591721 /nfs/dbraw/zinc/59/17/21/567591721.db2.gz ZRLMVIMQOFVBOX-GJZGRUSLSA-N 0 1 390.343 3.054 20 0 GGADMN CC(C)(C)C[C@@H](O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480252404 567592135 /nfs/dbraw/zinc/59/21/35/567592135.db2.gz UPXWGLJWSXUZOI-OCCSQVGLSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1nc2cc(Cl)c(NC(=O)N[C@@H](C)CN3CCN(C)CC3)cc2s1 ZINC000571841034 567592421 /nfs/dbraw/zinc/59/24/21/567592421.db2.gz FZNIYJCXMBBZSR-NSHDSACASA-N 0 1 381.933 3.016 20 0 GGADMN Cc1nc2cc(Cl)c(NC(=O)N[C@H](C)CN3CCN(C)CC3)cc2s1 ZINC000571841033 567592505 /nfs/dbraw/zinc/59/25/05/567592505.db2.gz FZNIYJCXMBBZSR-LLVKDONJSA-N 0 1 381.933 3.016 20 0 GGADMN CCCNC(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439568337 567592729 /nfs/dbraw/zinc/59/27/29/567592729.db2.gz YNBNEZCUOXKVDA-UHFFFAOYSA-N 0 1 375.475 3.237 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(C)c1 ZINC000439564382 567592775 /nfs/dbraw/zinc/59/27/75/567592775.db2.gz PYABFSRKSZBNRK-UHFFFAOYSA-N 0 1 378.475 3.431 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000480278373 567592778 /nfs/dbraw/zinc/59/27/78/567592778.db2.gz MGULGHPFNWQZEP-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN Cn1ccc2c(NC(=O)c3cc(Br)cc4nc[nH]c43)cccc2c1=O ZINC000505749252 567594343 /nfs/dbraw/zinc/59/43/43/567594343.db2.gz GONAOBIPVQKKND-UHFFFAOYSA-N 0 1 397.232 3.430 20 0 GGADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439572412 567594763 /nfs/dbraw/zinc/59/47/63/567594763.db2.gz NCKZUOLOMMBCHN-QHCPKHFHSA-N 0 1 380.516 3.284 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1Br ZINC000505762786 567595939 /nfs/dbraw/zinc/59/59/39/567595939.db2.gz LIZMISOKFIBUGF-CYBMUJFWSA-N 0 1 398.223 3.307 20 0 GGADMN CCCCOCCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480330836 567597117 /nfs/dbraw/zinc/59/71/17/567597117.db2.gz HWVVJWFFBYLVLS-HNNXBMFYSA-N 0 1 390.343 3.464 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(F)cc1)Oc1ccc(Br)cc1 ZINC000439642606 567597284 /nfs/dbraw/zinc/59/72/84/567597284.db2.gz FKPCWSGXWSIEST-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN CC(C)CNC(=O)CN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530394480 567597858 /nfs/dbraw/zinc/59/78/58/567597858.db2.gz SCKIVKCWVDCSET-GOSISDBHSA-N 0 1 390.325 3.490 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(F)cc1)Oc1cccc(Br)c1 ZINC000439652588 567598514 /nfs/dbraw/zinc/59/85/14/567598514.db2.gz UFBUNLVWYRNHCT-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1cc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)sc1Cl ZINC000530385450 567598544 /nfs/dbraw/zinc/59/85/44/567598544.db2.gz DMGLARBUKYCDHL-UHFFFAOYSA-N 0 1 386.861 3.113 20 0 GGADMN Cc1cc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)sc1Cl ZINC000530385450 567598550 /nfs/dbraw/zinc/59/85/50/567598550.db2.gz DMGLARBUKYCDHL-UHFFFAOYSA-N 0 1 386.861 3.113 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000664920847 567598839 /nfs/dbraw/zinc/59/88/39/567598839.db2.gz QTALJHYDNXOIAS-UHFFFAOYSA-N 0 1 376.258 3.038 20 0 GGADMN COC[C@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459133324 567599187 /nfs/dbraw/zinc/59/91/87/567599187.db2.gz IRSKLMYFMRLQTH-LLVKDONJSA-N 0 1 381.274 3.036 20 0 GGADMN CC(C)N(C(=O)NCc1nc2cccc(Br)c2[nH]1)[C@H]1CCOC1 ZINC000459129349 567599348 /nfs/dbraw/zinc/59/93/48/567599348.db2.gz DYUGPTLTNUCJCZ-NSHDSACASA-N 0 1 381.274 3.034 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000645013276 567599524 /nfs/dbraw/zinc/59/95/24/567599524.db2.gz UBHGOFXQOQBRPJ-INIZCTEOSA-N 0 1 395.341 3.393 20 0 GGADMN CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459137993 567599593 /nfs/dbraw/zinc/59/95/93/567599593.db2.gz AGQQWTBFALPNBP-OAHLLOKOSA-N 0 1 397.317 3.168 20 0 GGADMN COCC1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC1 ZINC000459127397 567599813 /nfs/dbraw/zinc/59/98/13/567599813.db2.gz SFNYYNLIKLUOMI-UHFFFAOYSA-N 0 1 395.301 3.331 20 0 GGADMN CCO[C@@H]1CCC[C@H]1NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459114412 567599926 /nfs/dbraw/zinc/59/99/26/567599926.db2.gz ROFZHCATELZMCO-DGCLKSJQSA-N 0 1 381.274 3.082 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H](C)[C@@H](C)O1 ZINC000459138630 567601072 /nfs/dbraw/zinc/60/10/72/567601072.db2.gz APNUSHRCTWNULF-OUAUKWLOSA-N 0 1 381.274 3.033 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439758104 567601308 /nfs/dbraw/zinc/60/13/08/567601308.db2.gz RBMUOPRBFAMQLE-GHMZBOCLSA-N 0 1 390.286 3.308 20 0 GGADMN COCc1cccc(CNCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000571955379 567601335 /nfs/dbraw/zinc/60/13/35/567601335.db2.gz VPGWATWLPJRRIY-UHFFFAOYSA-N 0 1 398.322 3.159 20 0 GGADMN O=S(=O)(N[C@H](C1CC1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000571955053 567601452 /nfs/dbraw/zinc/60/14/52/567601452.db2.gz XVQFMMKKCRUFEE-SNVBAGLBSA-N 0 1 376.169 3.207 20 0 GGADMN O=C(CC[C@@H]1CCC[NH2+]C1)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000621649085 567601404 /nfs/dbraw/zinc/60/14/04/567601404.db2.gz DRHWBJCMEVOWGN-JTQLQIEISA-N 0 1 383.315 3.041 20 0 GGADMN O=C(NCCOC(F)(F)F)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000530435361 567601463 /nfs/dbraw/zinc/60/14/63/567601463.db2.gz WBWRUJNWYIRTKP-CQSZACIVSA-N 0 1 379.810 3.313 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459139173 567601537 /nfs/dbraw/zinc/60/15/37/567601537.db2.gz AYXSPAMACFLHQJ-NSHDSACASA-N 0 1 381.274 3.036 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H](C)[C@H](C)O1 ZINC000459138628 567601703 /nfs/dbraw/zinc/60/17/03/567601703.db2.gz APNUSHRCTWNULF-MXWKQRLJSA-N 0 1 381.274 3.033 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NCCCc1nc[nH]n1 ZINC000664950436 567601846 /nfs/dbraw/zinc/60/18/46/567601846.db2.gz TWGNFOOPXDHPQJ-HNNXBMFYSA-N 0 1 392.301 3.123 20 0 GGADMN CC[C@H](Cc1ccc(Cl)cc1Cl)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000552689885 567602170 /nfs/dbraw/zinc/60/21/70/567602170.db2.gz NDBMYNYOEUUTJX-HIFRSBDPSA-N 0 1 381.263 3.201 20 0 GGADMN CO[C@@H]1C[C@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C12CCC2 ZINC000459153832 567602217 /nfs/dbraw/zinc/60/22/17/567602217.db2.gz XPUOCXBNBWUBTE-QWHCGFSZSA-N 0 1 393.285 3.082 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cn2ccc(Br)cc2n1 ZINC000505894397 567602255 /nfs/dbraw/zinc/60/22/55/567602255.db2.gz OCWHXZCIFFISMN-MRXNPFEDSA-N 0 1 399.292 3.101 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621674765 567602420 /nfs/dbraw/zinc/60/24/20/567602420.db2.gz CJJLNECXBDLFRH-UHFFFAOYSA-N 0 1 388.212 3.153 20 0 GGADMN CN(C(=O)NCc1nc2cccc(Br)c2[nH]1)[C@H](CO)CC(C)(C)C ZINC000459154464 567602311 /nfs/dbraw/zinc/60/23/11/567602311.db2.gz XRJWZDPMLOHUPY-NSHDSACASA-N 0 1 397.317 3.264 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1cccc(Br)c1 ZINC000459149203 567602869 /nfs/dbraw/zinc/60/28/69/567602869.db2.gz MLHPMYWOBQIHRH-SJORKVTESA-N 0 1 380.330 3.260 20 0 GGADMN CO[C@@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C12CCC2 ZINC000459153824 567602985 /nfs/dbraw/zinc/60/29/85/567602985.db2.gz XPUOCXBNBWUBTE-CHWSQXEVSA-N 0 1 393.285 3.082 20 0 GGADMN CCc1nc(CNC(=O)N2CC(C)(C)c3ccc(Br)cc32)n[nH]1 ZINC000664973562 567603635 /nfs/dbraw/zinc/60/36/35/567603635.db2.gz PQPDJQSUYFDVMK-UHFFFAOYSA-N 0 1 378.274 3.137 20 0 GGADMN COC[C@@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459155946 567603603 /nfs/dbraw/zinc/60/36/03/567603603.db2.gz YMIGKKDMFPMAGS-GFCCVEGCSA-N 0 1 395.301 3.284 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)c(Br)s1 ZINC000571979558 567604090 /nfs/dbraw/zinc/60/40/90/567604090.db2.gz LHZHNKUYMNGRQX-OLZOCXBDSA-N 0 1 380.311 3.042 20 0 GGADMN Cn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C(F)(F)F)n1 ZINC000645078821 567604300 /nfs/dbraw/zinc/60/43/00/567604300.db2.gz ZKHLRKWCLBMUNQ-IUCAKERBSA-N 0 1 393.353 3.086 20 0 GGADMN Cn1cc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c(C(F)(F)F)n1 ZINC000645078820 567604549 /nfs/dbraw/zinc/60/45/49/567604549.db2.gz ZKHLRKWCLBMUNQ-DTWKUNHWSA-N 0 1 393.353 3.086 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC(CCCO)CC1 ZINC000459186596 567605064 /nfs/dbraw/zinc/60/50/64/567605064.db2.gz BYPPVCPKABWFBA-UHFFFAOYSA-N 0 1 395.301 3.020 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000664988541 567605063 /nfs/dbraw/zinc/60/50/63/567605063.db2.gz BZHWFKMREDXFHH-CYBMUJFWSA-N 0 1 376.258 3.101 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(Br)cn1 ZINC000530482810 567605027 /nfs/dbraw/zinc/60/50/27/567605027.db2.gz JGLZCPNXPOYKJP-ZCFIWIBFSA-N 0 1 387.163 3.124 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)n[nH]1 ZINC000664989547 567605254 /nfs/dbraw/zinc/60/52/54/567605254.db2.gz CZPCVDWJZBIEDU-UHFFFAOYSA-N 0 1 384.267 3.208 20 0 GGADMN O=S(=O)(NCc1ccc(Br)c(F)c1)c1c(F)cc(F)cc1F ZINC000621691895 567605789 /nfs/dbraw/zinc/60/57/89/567605789.db2.gz AUUVJCGNIWLXQZ-UHFFFAOYSA-N 0 1 398.175 3.484 20 0 GGADMN C[C@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ccc(Br)cn1 ZINC000530482809 567605894 /nfs/dbraw/zinc/60/58/94/567605894.db2.gz JGLZCPNXPOYKJP-LURJTMIESA-N 0 1 387.163 3.124 20 0 GGADMN O=C(CCc1cnc[nH]1)NCc1cc(Br)ccc1Br ZINC000505996571 567606265 /nfs/dbraw/zinc/60/62/65/567606265.db2.gz JCUSYYWYTYXPLQ-UHFFFAOYSA-N 0 1 387.075 3.184 20 0 GGADMN CCn1ncc(NC(=O)NC[C@H](c2cccs2)N(C)C)c1C(F)(F)F ZINC000439916913 567606654 /nfs/dbraw/zinc/60/66/54/567606654.db2.gz RKZXJDCXOOJMTD-LLVKDONJSA-N 0 1 375.420 3.408 20 0 GGADMN CO[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H](C)C1 ZINC000459199756 567606792 /nfs/dbraw/zinc/60/67/92/567606792.db2.gz ICGPRGPKXPNRBP-GHMZBOCLSA-N 0 1 381.274 3.034 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000480483948 567606963 /nfs/dbraw/zinc/60/69/63/567606963.db2.gz ODZCBBVHJCWCOI-CQSZACIVSA-N 0 1 388.339 3.492 20 0 GGADMN C[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC(C)(C)O1 ZINC000459188770 567607220 /nfs/dbraw/zinc/60/72/20/567607220.db2.gz CNZOVOAZQMDYJZ-JTQLQIEISA-N 0 1 381.274 3.034 20 0 GGADMN C[C@H]1COC(C)(C)CN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459194874 567607297 /nfs/dbraw/zinc/60/72/97/567607297.db2.gz GIKZWZANGCCKGO-JTQLQIEISA-N 0 1 381.274 3.034 20 0 GGADMN CC(C)CC[C@](C)(O)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459199824 567607341 /nfs/dbraw/zinc/60/73/41/567607341.db2.gz IHEZRUWEUWLKEV-KRWDZBQOSA-N 0 1 397.317 3.312 20 0 GGADMN Cc1c([C@H](C)NCCc2cnccn2)nnn1-c1cccc(Br)c1 ZINC000530518767 567607979 /nfs/dbraw/zinc/60/79/79/567607979.db2.gz ZLQTWBJMSIJDIR-LBPRGKRZSA-N 0 1 387.285 3.022 20 0 GGADMN CC[C@H]1CO[C@H](C)CN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211292 567607956 /nfs/dbraw/zinc/60/79/56/567607956.db2.gz LWIOVHWTAAMHCE-MNOVXSKESA-N 0 1 381.274 3.034 20 0 GGADMN O=C(CN1CCCN2c3ccccc3C[C@@H]2C1)NCc1ccc(Cl)s1 ZINC000572048753 567607976 /nfs/dbraw/zinc/60/79/76/567607976.db2.gz GQNOCQDZELPPBA-OAHLLOKOSA-N 0 1 375.925 3.155 20 0 GGADMN CCN1CCCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000572043877 567608048 /nfs/dbraw/zinc/60/80/48/567608048.db2.gz ZUMLJDLPXLVFSS-UHFFFAOYSA-N 0 1 377.229 3.218 20 0 GGADMN CO[C@H](C)CN(C(=O)NCc1nc2cccc(Br)c2[nH]1)C(C)C ZINC000459221075 567608143 /nfs/dbraw/zinc/60/81/43/567608143.db2.gz TWEVEJADBPSUQB-LLVKDONJSA-N 0 1 383.290 3.280 20 0 GGADMN COCCN(CC(C)C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459205146 567608168 /nfs/dbraw/zinc/60/81/68/567608168.db2.gz JVSMDHMFGKFAQM-UHFFFAOYSA-N 0 1 383.290 3.139 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccsc1 ZINC000506037770 567608404 /nfs/dbraw/zinc/60/84/04/567608404.db2.gz IMRYALIZCITABY-LBPRGKRZSA-N 0 1 394.250 3.031 20 0 GGADMN CCc1noc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000645156224 567608358 /nfs/dbraw/zinc/60/83/58/567608358.db2.gz BWILJOHOWUDFEP-UHFFFAOYSA-N 0 1 398.276 3.415 20 0 GGADMN CCO[C@@H]1C[C@@](O)(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1(C)C ZINC000530510344 567608466 /nfs/dbraw/zinc/60/84/66/567608466.db2.gz UDRHWFSTWPGZEU-SJKOYZFVSA-N 0 1 383.901 3.088 20 0 GGADMN CCC[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459213901 567608626 /nfs/dbraw/zinc/60/86/26/567608626.db2.gz NLXOQPUMMXABKY-NSHDSACASA-N 0 1 381.274 3.036 20 0 GGADMN C[C@@H]1c2cccn2CCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459212796 567608744 /nfs/dbraw/zinc/60/87/44/567608744.db2.gz MRJGERXBHJVEDD-LLVKDONJSA-N 0 1 388.269 3.413 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459214588 567608758 /nfs/dbraw/zinc/60/87/58/567608758.db2.gz NPNLWFXFQFLWJR-QGZVFWFLSA-N 0 1 395.301 3.020 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2csc(Br)c2)C1=O ZINC000480492542 567608772 /nfs/dbraw/zinc/60/87/72/567608772.db2.gz BSDCVLKAJSZZMN-LBPRGKRZSA-N 0 1 383.315 3.012 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480510124 567608855 /nfs/dbraw/zinc/60/88/55/567608855.db2.gz OXMGATUZWSSUMU-LLVKDONJSA-N 0 1 384.307 3.392 20 0 GGADMN CCC[C@@]1(CO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459220496 567608936 /nfs/dbraw/zinc/60/89/36/567608936.db2.gz SMOKLVNREFWNRG-KRWDZBQOSA-N 0 1 395.301 3.162 20 0 GGADMN Cc1ncc(CN(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000459213817 567608948 /nfs/dbraw/zinc/60/89/48/567608948.db2.gz NHIZAXVBNQCMMV-UHFFFAOYSA-N 0 1 394.298 3.432 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2csc(Br)c2)C1=O ZINC000480492541 567608930 /nfs/dbraw/zinc/60/89/30/567608930.db2.gz BSDCVLKAJSZZMN-GFCCVEGCSA-N 0 1 383.315 3.012 20 0 GGADMN Brc1cnn(CCCCN=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000480505394 567609043 /nfs/dbraw/zinc/60/90/43/567609043.db2.gz ZYVHHKKNWIMIDZ-UHFFFAOYSA-N 0 1 378.299 3.478 20 0 GGADMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000552786030 567609698 /nfs/dbraw/zinc/60/96/98/567609698.db2.gz KKVKDHUTAJDREC-GFCCVEGCSA-N 0 1 376.913 3.144 20 0 GGADMN Oc1cccc(CNC[C@@H](O)COc2ccccc2Br)c1Cl ZINC000645163855 567610407 /nfs/dbraw/zinc/61/04/07/567610407.db2.gz DUUUCTQGPLCOIP-GFCCVEGCSA-N 0 1 386.673 3.338 20 0 GGADMN C[N@@H+]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@H]1Cc1ccccc1 ZINC000552804729 567610913 /nfs/dbraw/zinc/61/09/13/567610913.db2.gz NARGAAKOFMEWJA-OAHLLOKOSA-N 0 1 389.293 3.154 20 0 GGADMN C[N@H+]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@H]1Cc1ccccc1 ZINC000552804729 567610914 /nfs/dbraw/zinc/61/09/14/567610914.db2.gz NARGAAKOFMEWJA-OAHLLOKOSA-N 0 1 389.293 3.154 20 0 GGADMN C[C@@H](N[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccc(F)c(Br)c1 ZINC000645195806 567611264 /nfs/dbraw/zinc/61/12/64/567611264.db2.gz WAOSAWNARLDWFK-QLJPJBMISA-N 0 1 383.236 3.475 20 0 GGADMN O=C(CC1CCC(=O)CC1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000530552034 567611769 /nfs/dbraw/zinc/61/17/69/567611769.db2.gz CKGPCCVZMRBKDQ-UHFFFAOYSA-N 0 1 377.242 3.322 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000552824717 567612193 /nfs/dbraw/zinc/61/21/93/567612193.db2.gz KWXPZEFJAVTHBJ-BETUJISGSA-N 0 1 378.460 3.140 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000552824717 567612199 /nfs/dbraw/zinc/61/21/99/567612199.db2.gz KWXPZEFJAVTHBJ-BETUJISGSA-N 0 1 378.460 3.140 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000552824719 567612252 /nfs/dbraw/zinc/61/22/52/567612252.db2.gz KWXPZEFJAVTHBJ-STQMWFEESA-N 0 1 378.460 3.140 20 0 GGADMN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440037822 567612752 /nfs/dbraw/zinc/61/27/52/567612752.db2.gz QFUFRISJSPSDFP-LLVKDONJSA-N 0 1 388.270 3.204 20 0 GGADMN COCc1cnc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)s1 ZINC000552848981 567613107 /nfs/dbraw/zinc/61/31/07/567613107.db2.gz CXLMXRFYOZCBRZ-UHFFFAOYSA-N 0 1 394.250 3.146 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cc(Br)c[nH]c2=O)N2CCCC2)o1 ZINC000621824759 567613347 /nfs/dbraw/zinc/61/33/47/567613347.db2.gz WUSGBKDDNJQLMQ-CQSZACIVSA-N 0 1 394.269 3.018 20 0 GGADMN C[C@@H]1C[C@H](NCCC(=O)N(C)Cc2ccccc2Br)c2nccn21 ZINC000572110147 567614021 /nfs/dbraw/zinc/61/40/21/567614021.db2.gz JEAFYRNCXHITGK-CJNGLKHVSA-N 0 1 391.313 3.290 20 0 GGADMN O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000480600609 567614776 /nfs/dbraw/zinc/61/47/76/567614776.db2.gz KXXMLKUQXHTWQC-GASCZTMLSA-N 0 1 382.938 3.154 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000506193047 567614834 /nfs/dbraw/zinc/61/48/34/567614834.db2.gz RZXGTYISNBUFDO-KBPBESRZSA-N 0 1 388.339 3.334 20 0 GGADMN Cc1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000480601377 567615159 /nfs/dbraw/zinc/61/51/59/567615159.db2.gz NDAXZISWATVNLE-HDICACEKSA-N 0 1 376.547 3.117 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000530612363 567615375 /nfs/dbraw/zinc/61/53/75/567615375.db2.gz ZVBXTJMDFHTINT-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC000459345842 567616897 /nfs/dbraw/zinc/61/68/97/567616897.db2.gz JTGTUUGMZZIRLM-MRXNPFEDSA-N 0 1 394.737 3.337 20 0 GGADMN CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC000459345841 567617026 /nfs/dbraw/zinc/61/70/26/567617026.db2.gz JTGTUUGMZZIRLM-INIZCTEOSA-N 0 1 394.737 3.337 20 0 GGADMN Clc1cc(Cl)cc(-c2noc(N3CCN(C4CCOCC4)CC3)n2)c1 ZINC000530669677 567618210 /nfs/dbraw/zinc/61/82/10/567618210.db2.gz BPMWOSFQLBLJLR-UHFFFAOYSA-N 0 1 383.279 3.344 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(C)C)C2)c(Br)c1OC ZINC000572168638 567618398 /nfs/dbraw/zinc/61/83/98/567618398.db2.gz GCLXFYQYVHCJDZ-QGZVFWFLSA-N 0 1 386.286 3.399 20 0 GGADMN CCN(C)c1ccc(CNCC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000480657459 567618534 /nfs/dbraw/zinc/61/85/34/567618534.db2.gz GIWCNKSSDWQMJW-UHFFFAOYSA-N 0 1 391.313 3.337 20 0 GGADMN COc1ccc(Br)c(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000459359988 567618854 /nfs/dbraw/zinc/61/88/54/567618854.db2.gz CUZREVGZUMMWQD-UHFFFAOYSA-N 0 1 382.262 3.195 20 0 GGADMN O=C(c1ccco1)N1CCC([NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000459363796 567619108 /nfs/dbraw/zinc/61/91/08/567619108.db2.gz JHNAIOKHJVAUPS-UHFFFAOYSA-N 0 1 379.254 3.142 20 0 GGADMN CN(C)[C@H](CNC(=O)c1nn(C(C)(C)C)cc1Br)c1cccs1 ZINC000665334005 567619525 /nfs/dbraw/zinc/61/95/25/567619525.db2.gz IENQKYSOMYSFCW-GFCCVEGCSA-N 0 1 399.358 3.495 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1ccc(Cl)cc1 ZINC000621896706 567619740 /nfs/dbraw/zinc/61/97/40/567619740.db2.gz CROJFMUKRKHLFQ-AWEZNQCLSA-N 0 1 398.688 3.236 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000530704142 567619796 /nfs/dbraw/zinc/61/97/96/567619796.db2.gz YCQHGNQTBGKTKL-AWEZNQCLSA-N 0 1 398.297 3.345 20 0 GGADMN C[C@@H](C(=O)N(Cc1cccc(Br)c1)C1CCOCC1)N1CC(C)C1 ZINC000572176574 567619909 /nfs/dbraw/zinc/61/99/09/567619909.db2.gz DYVKGAXRWACTGF-HNNXBMFYSA-N 0 1 395.341 3.297 20 0 GGADMN CCO[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1SC ZINC000459382753 567620170 /nfs/dbraw/zinc/62/01/70/567620170.db2.gz WZEMNWRXPWHNHM-KSZLIROESA-N 0 1 385.595 3.256 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C(N)=O)s1)c1ccc(Cl)cc1 ZINC000553021259 567620244 /nfs/dbraw/zinc/62/02/44/567620244.db2.gz XAYFOEPAHZQEFD-CQSZACIVSA-N 0 1 379.913 3.313 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(Br)cc1N1CCOCC1 ZINC000665351317 567620719 /nfs/dbraw/zinc/62/07/19/567620719.db2.gz ZSKYLFAMVLDXHY-UHFFFAOYSA-N 0 1 399.329 3.218 20 0 GGADMN CCOc1cc(CN[C@@H](C)C(=O)N2CCCCC2)cc(Br)c1O ZINC000459406565 567621610 /nfs/dbraw/zinc/62/16/10/567621610.db2.gz UKCGHWMFLXOUNT-LBPRGKRZSA-N 0 1 385.302 3.044 20 0 GGADMN CC[C@H]1CN(C(=O)c2cccc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000530748188 567622803 /nfs/dbraw/zinc/62/28/03/567622803.db2.gz WMRYRDMMDSXHMQ-STQMWFEESA-N 0 1 383.286 3.016 20 0 GGADMN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1Br ZINC000480702799 567622895 /nfs/dbraw/zinc/62/28/95/567622895.db2.gz XLZLBRDUAGXQPE-NSHDSACASA-N 0 1 398.276 3.103 20 0 GGADMN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cccc(Br)c1O ZINC000596320336 567623155 /nfs/dbraw/zinc/62/31/55/567623155.db2.gz IJCUINSADWHWPA-UHFFFAOYSA-N 0 1 395.297 3.066 20 0 GGADMN CCn1cc(Br)cc1C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506393984 567624150 /nfs/dbraw/zinc/62/41/50/567624150.db2.gz GMHOFUUDJRAFPQ-AWEZNQCLSA-N 0 1 388.269 3.102 20 0 GGADMN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000553074977 567624242 /nfs/dbraw/zinc/62/42/42/567624242.db2.gz MOJICTDGJCKBDW-AWEZNQCLSA-N 0 1 376.444 3.023 20 0 GGADMN O=C(CC(F)(F)F)N1CCC([NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000459421232 567624581 /nfs/dbraw/zinc/62/45/81/567624581.db2.gz DMTHWDQXBIQAHL-UHFFFAOYSA-N 0 1 395.219 3.188 20 0 GGADMN C[C@@H]1C[C@@H](N[C@H]2CCc3sc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000645436346 567625084 /nfs/dbraw/zinc/62/50/84/567625084.db2.gz NPSXEEVWHAPTGQ-JIMOISOXSA-N 0 1 395.326 3.015 20 0 GGADMN O=C1C[C@@H](C[NH2+]Cc2cccc([O-])c2Br)CN1Cc1ccccc1 ZINC000459447033 567626006 /nfs/dbraw/zinc/62/60/06/567626006.db2.gz FRELTZXBMQAKRQ-HNNXBMFYSA-N 0 1 389.293 3.293 20 0 GGADMN COc1cc(Br)cc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000459453341 567626035 /nfs/dbraw/zinc/62/60/35/567626035.db2.gz DPEDTXVYWVKVSN-UHFFFAOYSA-N 0 1 382.262 3.195 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645452187 567626307 /nfs/dbraw/zinc/62/63/07/567626307.db2.gz JSIDQKZEXHVVNG-UHFFFAOYSA-N 0 1 398.834 3.144 20 0 GGADMN COC(=O)c1cncc(C(=O)Nc2cc(Br)cc(Cl)c2O)c1 ZINC000553091633 567626450 /nfs/dbraw/zinc/62/64/50/567626450.db2.gz BYFWMISYBGZBMX-UHFFFAOYSA-N 0 1 385.601 3.242 20 0 GGADMN O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncccc1C(F)(F)F ZINC000645454764 567626435 /nfs/dbraw/zinc/62/64/35/567626435.db2.gz YOVRLCZDWNEJLM-DTWKUNHWSA-N 0 1 376.322 3.500 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCCOCC(F)(F)F)c1ccc(Cl)cc1 ZINC000530839159 567626946 /nfs/dbraw/zinc/62/69/46/567626946.db2.gz BHVZSDRKYDNCMN-CQSZACIVSA-N 0 1 381.826 3.211 20 0 GGADMN Fc1cnccc1-c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000572263863 567627032 /nfs/dbraw/zinc/62/70/32/567627032.db2.gz YURSOVYVABSBAG-UHFFFAOYSA-N 0 1 387.172 3.485 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCSc3cccc(Cl)c3)C2)CC1 ZINC000553091320 567627185 /nfs/dbraw/zinc/62/71/85/567627185.db2.gz RPASKICISMCSHN-KRWDZBQOSA-N 0 1 381.973 3.061 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCSc3cccc(Cl)c3)C2)CC1 ZINC000553091321 567627213 /nfs/dbraw/zinc/62/72/13/567627213.db2.gz RPASKICISMCSHN-QGZVFWFLSA-N 0 1 381.973 3.061 20 0 GGADMN CC(C)[C@](C)(NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000459472134 567627322 /nfs/dbraw/zinc/62/73/22/567627322.db2.gz CQMPDJQLSYQEFC-YJBOKZPZSA-N 0 1 386.323 3.147 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc3c(cc2Br)OCO3)n[nH]1 ZINC000621972910 567627475 /nfs/dbraw/zinc/62/74/75/567627475.db2.gz VVJXPQOEPFJZOR-BDAKNGLRSA-N 0 1 395.257 3.300 20 0 GGADMN COc1ccc(Br)cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000530882443 567627763 /nfs/dbraw/zinc/62/77/63/567627763.db2.gz NBZCDQQALCNQPS-UHFFFAOYSA-N 0 1 378.201 3.403 20 0 GGADMN OC[C@@]1(NCCOc2cccc(Br)c2)CCOc2ccccc21 ZINC000440457209 567628102 /nfs/dbraw/zinc/62/81/02/567628102.db2.gz DKYOWORPOGRGCH-SFHVURJKSA-N 0 1 378.266 3.088 20 0 GGADMN CCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645463404 567628288 /nfs/dbraw/zinc/62/82/88/567628288.db2.gz BAFPJXPWNDXCHE-UHFFFAOYSA-N 0 1 386.823 3.001 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc3c(cc2Br)OCO3)n[nH]1 ZINC000621972911 567628541 /nfs/dbraw/zinc/62/85/41/567628541.db2.gz VVJXPQOEPFJZOR-DTWKUNHWSA-N 0 1 395.257 3.300 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2c(Cl)cccc2Br)C1 ZINC000665539284 567628732 /nfs/dbraw/zinc/62/87/32/567628732.db2.gz GDLKBRZGPHSLMX-GFCCVEGCSA-N 0 1 389.721 3.189 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)NCCN1CCC1 ZINC000506489049 567628801 /nfs/dbraw/zinc/62/88/01/567628801.db2.gz LLGSFHBNUPQBQW-XHDPSFHLSA-N 0 1 384.343 3.237 20 0 GGADMN C[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@H+]1CCCC[C@@H]1C ZINC000506509349 567628842 /nfs/dbraw/zinc/62/88/42/567628842.db2.gz IHBXHOKILGYHTL-STQMWFEESA-N 0 1 379.302 3.090 20 0 GGADMN OC[C@]1(NCc2ccc(I)cc2)CCOc2ccccc21 ZINC000440465353 567630251 /nfs/dbraw/zinc/63/02/51/567630251.db2.gz RFVBGKOQAIYXTK-QGZVFWFLSA-N 0 1 395.240 3.051 20 0 GGADMN COc1ccc(F)c(CNC[C@H](O)COc2ccc(Br)cc2)c1 ZINC000622016271 567630571 /nfs/dbraw/zinc/63/05/71/567630571.db2.gz CDTAKQFRHRKSJM-AWEZNQCLSA-N 0 1 384.245 3.126 20 0 GGADMN O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1c(F)c(F)cc(F)c1F ZINC000506581234 567630835 /nfs/dbraw/zinc/63/08/35/567630835.db2.gz YDLAAJMLAGFDMF-UHFFFAOYSA-N 0 1 397.733 3.468 20 0 GGADMN CCc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000506563311 567631565 /nfs/dbraw/zinc/63/15/65/567631565.db2.gz REWCMJHYTABGTB-UHFFFAOYSA-N 0 1 382.869 3.071 20 0 GGADMN CCc1nc(CCNCc2cn(-c3ccccc3Br)nn2)cs1 ZINC000572326832 567631729 /nfs/dbraw/zinc/63/17/29/567631729.db2.gz IFSBFMUCYRQMQH-UHFFFAOYSA-N 0 1 392.326 3.381 20 0 GGADMN COCCN(Cc1cc(Br)cs1)CC1(CC(=O)OC)CC1 ZINC000440521901 567631955 /nfs/dbraw/zinc/63/19/55/567631955.db2.gz OAMBGYHQTIIZPO-UHFFFAOYSA-N 0 1 376.316 3.302 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2cc(F)cc(F)c2Br)n[nH]1 ZINC000459511180 567632536 /nfs/dbraw/zinc/63/25/36/567632536.db2.gz XZIPRLXYFCWYBQ-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1OC ZINC000506583343 567632934 /nfs/dbraw/zinc/63/29/34/567632934.db2.gz HEVKKBMNLZVFBK-UHFFFAOYSA-N 0 1 382.869 3.126 20 0 GGADMN COc1nc(N2CCN([C@H](C)c3ccccc3)CC2)ncc1Br ZINC000530949337 567633005 /nfs/dbraw/zinc/63/30/05/567633005.db2.gz AWZLCYJSHNHDIH-CYBMUJFWSA-N 0 1 377.286 3.131 20 0 GGADMN FCCn1ncnc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000440583945 567634148 /nfs/dbraw/zinc/63/41/48/567634148.db2.gz YGYGKZQEKAKSEM-UHFFFAOYSA-N 0 1 383.250 3.088 20 0 GGADMN CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2csc3ccccc32)c1 ZINC000506616008 567634237 /nfs/dbraw/zinc/63/42/37/567634237.db2.gz CQLVPIBHOSZYAH-UHFFFAOYSA-N 0 1 381.500 3.247 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1C ZINC000530974555 567634417 /nfs/dbraw/zinc/63/44/17/567634417.db2.gz ARJJNBGBBAYYIF-UHFFFAOYSA-N 0 1 382.551 3.208 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000645513847 567634916 /nfs/dbraw/zinc/63/49/16/567634916.db2.gz QFDJOUYAWHDTDI-LBPRGKRZSA-N 0 1 398.834 3.097 20 0 GGADMN O=C(CN=c1ccc2cccc(Br)c2[nH]1)N1Cc2ccccc2C1 ZINC000480846260 567634876 /nfs/dbraw/zinc/63/48/76/567634876.db2.gz RTPFDMGHHWAKDG-UHFFFAOYSA-N 0 1 382.261 3.374 20 0 GGADMN COc1ccc(Cl)cc1CS(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000480841650 567634953 /nfs/dbraw/zinc/63/49/53/567634953.db2.gz CASDSJSTXNUTIB-UHFFFAOYSA-N 0 1 386.945 3.129 20 0 GGADMN C[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1csnn1 ZINC000665692838 567635386 /nfs/dbraw/zinc/63/53/86/567635386.db2.gz PHTPAHIVFDOCBX-GFCCVEGCSA-N 0 1 379.917 3.216 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1csnn1 ZINC000665691411 567635641 /nfs/dbraw/zinc/63/56/41/567635641.db2.gz IVSHYXVNVYCSOR-MLGOLLRUSA-N 0 1 379.917 3.389 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1csnn1 ZINC000665691412 567636201 /nfs/dbraw/zinc/63/62/01/567636201.db2.gz IVSHYXVNVYCSOR-WBMJQRKESA-N 0 1 379.917 3.389 20 0 GGADMN CC(C)[C@@H](NS(=O)(=O)c1nc2ccccc2s1)c1nc(C2CC2)no1 ZINC000572397735 567636485 /nfs/dbraw/zinc/63/64/85/567636485.db2.gz KIVXBABOHDXQCX-CYBMUJFWSA-N 0 1 378.479 3.232 20 0 GGADMN CN(C[C@H](O)Cc1ccccc1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000480859681 567636846 /nfs/dbraw/zinc/63/68/46/567636846.db2.gz ZNWYGXVVMXDUBB-CYBMUJFWSA-N 0 1 375.881 3.467 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1[nH]nc2c1CCCCC2 ZINC000506668927 567637173 /nfs/dbraw/zinc/63/71/73/567637173.db2.gz KDQPKZJMZWWLJB-CQSZACIVSA-N 0 1 394.244 3.444 20 0 GGADMN Cc1cc(CC(=O)NCCOc2ccc3cc(Br)ccc3c2)[nH]n1 ZINC000531032223 567637257 /nfs/dbraw/zinc/63/72/57/567637257.db2.gz HDWZUUSGFSIAAV-UHFFFAOYSA-N 0 1 388.265 3.372 20 0 GGADMN O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cncc(Br)c1 ZINC000506667257 567637283 /nfs/dbraw/zinc/63/72/83/567637283.db2.gz AWTVZAYAIWRLON-UHFFFAOYSA-N 0 1 391.250 3.102 20 0 GGADMN CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000480859682 567638022 /nfs/dbraw/zinc/63/80/22/567638022.db2.gz ZNWYGXVVMXDUBB-ZDUSSCGKSA-N 0 1 375.881 3.467 20 0 GGADMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cccc2nc[nH]c21 ZINC000506672424 567638200 /nfs/dbraw/zinc/63/82/00/567638200.db2.gz HUDHEWLXNXZIIK-ZDUSSCGKSA-N 0 1 376.185 3.328 20 0 GGADMN C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cncc(Br)c1 ZINC000572424317 567638196 /nfs/dbraw/zinc/63/81/96/567638196.db2.gz DCOQMHHRJOSPNW-LLVKDONJSA-N 0 1 381.295 3.025 20 0 GGADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645525632 567638528 /nfs/dbraw/zinc/63/85/28/567638528.db2.gz MQMBRQANNANDJG-LBPRGKRZSA-N 0 1 398.834 3.001 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)NCc1cc(Cl)ccc1Br ZINC000645523592 567638602 /nfs/dbraw/zinc/63/86/02/567638602.db2.gz KOIOQJRWPIRSTN-UHFFFAOYSA-N 0 1 384.665 3.097 20 0 GGADMN O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccsc1 ZINC000506722087 567639587 /nfs/dbraw/zinc/63/95/87/567639587.db2.gz NHLSLECDFBVBDS-UHFFFAOYSA-N 0 1 394.499 3.350 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)cn1 ZINC000506711367 567639643 /nfs/dbraw/zinc/63/96/43/567639643.db2.gz PMIOILLFEAUAHC-UHFFFAOYSA-N 0 1 381.885 3.230 20 0 GGADMN CON1CCC(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000459578761 567639789 /nfs/dbraw/zinc/63/97/89/567639789.db2.gz JNKKEUWNRCXLNE-UHFFFAOYSA-N 0 1 379.810 3.255 20 0 GGADMN COCCN(CCOc1ccccc1Br)Cc1c(C)nn(C)c1C ZINC000459582404 567640009 /nfs/dbraw/zinc/64/00/09/567640009.db2.gz RCQZINJRVNPKFX-UHFFFAOYSA-N 0 1 396.329 3.327 20 0 GGADMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)nc2)cc1Cl ZINC000506709535 567640042 /nfs/dbraw/zinc/64/00/42/567640042.db2.gz ZTTIRYBDRRLHIE-UHFFFAOYSA-N 0 1 381.885 3.326 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)cn1 ZINC000506736850 567641343 /nfs/dbraw/zinc/64/13/43/567641343.db2.gz UPPCZLDYKSAKKJ-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000480901509 567641300 /nfs/dbraw/zinc/64/13/00/567641300.db2.gz TXLABZZJFOSBRC-UGSOOPFHSA-N 0 1 382.913 3.318 20 0 GGADMN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000440747108 567642684 /nfs/dbraw/zinc/64/26/84/567642684.db2.gz KZUXFYIINLIQMQ-QMMMGPOBSA-N 0 1 390.130 3.018 20 0 GGADMN CCN1CCN(C(=O)[C@H](CCOC)Cc2cccc(Br)c2)[C@@H](C)C1 ZINC000553316529 567643154 /nfs/dbraw/zinc/64/31/54/567643154.db2.gz SEONJXCZOGNPBE-DOTOQJQBSA-N 0 1 397.357 3.197 20 0 GGADMN O=C(N[C@@H](CO)CN1CCCCC1)c1cnc(-c2ccccc2Cl)s1 ZINC000665888279 567643398 /nfs/dbraw/zinc/64/33/98/567643398.db2.gz PFMHRYUCSNHTIS-CYBMUJFWSA-N 0 1 379.913 3.040 20 0 GGADMN O=C(CCNCc1cc(C(F)(F)F)n[nH]1)Nc1ccc(Br)cc1 ZINC000440806278 567643550 /nfs/dbraw/zinc/64/35/50/567643550.db2.gz GBJBXWYVKNNLNW-UHFFFAOYSA-N 0 1 391.191 3.309 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2ccc(SC)c(OC)c2)c1 ZINC000459645193 567644133 /nfs/dbraw/zinc/64/41/33/567644133.db2.gz KWHVJSUCJSFFSF-UHFFFAOYSA-N 0 1 380.535 3.005 20 0 GGADMN OC[C@@]1(NCc2cc3c(c(Br)c2)OCO3)CCCc2ccccc21 ZINC000440817573 567645528 /nfs/dbraw/zinc/64/55/28/567645528.db2.gz GYVQTKFNFCLOHO-IBGZPJMESA-N 0 1 390.277 3.492 20 0 GGADMN O=S(=O)(NCc1c(F)cccc1OC(F)F)c1c(F)cc(F)cc1F ZINC000480952897 567645560 /nfs/dbraw/zinc/64/55/60/567645560.db2.gz KJAHCXZBOOWVMB-UHFFFAOYSA-N 0 1 385.285 3.323 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2ccc(Br)cc2C)c1 ZINC000459651798 567645893 /nfs/dbraw/zinc/64/58/93/567645893.db2.gz VUSIVGJUJVZUPR-UHFFFAOYSA-N 0 1 397.338 3.346 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccoc2)c(Br)cc1Br ZINC000506852777 567646006 /nfs/dbraw/zinc/64/60/06/567646006.db2.gz YXMOMRDKNRUTQO-UHFFFAOYSA-N 0 1 396.060 3.309 20 0 GGADMN CC(=O)Nc1ccccc1CNCC(=O)Nc1ccc(Br)cc1C ZINC000553369298 567646955 /nfs/dbraw/zinc/64/69/55/567646955.db2.gz IIGSFHMESDHOAS-UHFFFAOYSA-N 0 1 390.281 3.444 20 0 GGADMN CCCCN1C(=O)N=NC1SCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000572555822 567647726 /nfs/dbraw/zinc/64/77/26/567647726.db2.gz QALIXHLROGNOLL-UHFFFAOYSA-N 0 1 382.852 3.449 20 0 GGADMN COC(=O)CCC1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000531240577 567647939 /nfs/dbraw/zinc/64/79/39/567647939.db2.gz GGYFLCIQLDHQSV-ZDUSSCGKSA-N 0 1 397.313 3.441 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000506917181 567648408 /nfs/dbraw/zinc/64/84/08/567648408.db2.gz MKCMMZXLLMVHQQ-VIFPVBQESA-N 0 1 376.132 3.133 20 0 GGADMN COc1ccc(Br)c(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000506907729 567648561 /nfs/dbraw/zinc/64/85/61/567648561.db2.gz FBDSRDGLPYSMCE-UHFFFAOYSA-N 0 1 378.148 3.381 20 0 GGADMN Cc1nc2sccn2c1CN(C)C[C@H](O)COCc1ccccc1Cl ZINC000440928851 567649665 /nfs/dbraw/zinc/64/96/65/567649665.db2.gz PDDMEKWAMXTZCD-HNNXBMFYSA-N 0 1 379.913 3.367 20 0 GGADMN CCCCNC(=O)NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000506935488 567650127 /nfs/dbraw/zinc/65/01/27/567650127.db2.gz BTECUJPLYPJIBX-UHFFFAOYSA-N 0 1 382.302 3.044 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)[nH]1 ZINC000531293067 567651288 /nfs/dbraw/zinc/65/12/88/567651288.db2.gz QAGGCTVZIKMHNQ-CHWSQXEVSA-N 0 1 381.299 3.030 20 0 GGADMN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccc(C)nc2C)c1 ZINC000531278284 567651425 /nfs/dbraw/zinc/65/14/25/567651425.db2.gz VXDMWJLVMSKUKV-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN OC[C@@H](CNCc1ccn(C(F)F)n1)Cc1cc(F)cc(Br)c1 ZINC000459696760 567651689 /nfs/dbraw/zinc/65/16/89/567651689.db2.gz JXYXDDVFBFGTAY-LLVKDONJSA-N 0 1 392.219 3.121 20 0 GGADMN O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000481023312 567651690 /nfs/dbraw/zinc/65/16/90/567651690.db2.gz MYTWEXHXMRMNTP-HNNXBMFYSA-N 0 1 376.444 3.040 20 0 GGADMN COc1ccc(Br)cc1CNC[C@@H](O)COc1ccccc1F ZINC000572594769 567651772 /nfs/dbraw/zinc/65/17/72/567651772.db2.gz FDDLDOIGIKUGHH-CQSZACIVSA-N 0 1 384.245 3.126 20 0 GGADMN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1csc(=NC2CC2)[nH]1 ZINC000622600756 567651863 /nfs/dbraw/zinc/65/18/63/567651863.db2.gz CNNLVFKSICGAKG-UHFFFAOYSA-N 0 1 377.338 3.366 20 0 GGADMN C[C@H](COCC(F)(F)F)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531318816 567652442 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O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccncc1Br ZINC000507228944 567668727 /nfs/dbraw/zinc/66/87/27/567668727.db2.gz BCFOYEXZFQHEHN-HNNXBMFYSA-N 0 1 393.285 3.208 20 0 GGADMN COc1cccc(C(F)(F)CNC(=O)c2cccc(Br)c2O)n1 ZINC000553577675 567668717 /nfs/dbraw/zinc/66/87/17/567668717.db2.gz ILYCMIUSGZHIOU-UHFFFAOYSA-N 0 1 387.180 3.080 20 0 GGADMN C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441532675 567668982 /nfs/dbraw/zinc/66/89/82/567668982.db2.gz HMKXYAXPFZXUJX-LRDDRELGSA-N 0 1 382.917 3.472 20 0 GGADMN O=S(=O)(CC1CCOCC1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441538693 567669133 /nfs/dbraw/zinc/66/91/33/567669133.db2.gz WNAWDZFPCAGVMD-INIZCTEOSA-N 0 1 383.901 3.110 20 0 GGADMN O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441547929 567669199 /nfs/dbraw/zinc/66/91/99/567669199.db2.gz RRGBIJGJBVTNTR-XJKSGUPXSA-N 0 1 383.901 3.252 20 0 GGADMN O=C(NCC1(c2ccc(Br)s2)CCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000553600962 567669571 /nfs/dbraw/zinc/66/95/71/567669571.db2.gz 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Cc1sc2ncn(CC(=O)Nc3cc(Cl)c(O)cc3F)c(=O)c2c1C ZINC000553696440 567676278 /nfs/dbraw/zinc/67/62/78/567676278.db2.gz CHRMYYFOPHLHDR-UHFFFAOYSA-N 0 1 381.816 3.212 20 0 GGADMN O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1cc(Cl)c(O)cc1F ZINC000553688451 567676814 /nfs/dbraw/zinc/67/68/14/567676814.db2.gz PUYYIMXUUOKDOL-UHFFFAOYSA-N 0 1 386.210 3.276 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000553697837 567676853 /nfs/dbraw/zinc/67/68/53/567676853.db2.gz VEOBAUCTYNWNMG-VIFPVBQESA-N 0 1 389.807 3.372 20 0 GGADMN Cc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c(Br)c1 ZINC000507375427 567677193 /nfs/dbraw/zinc/67/71/93/567677193.db2.gz NZFDELAGKNFBPV-HNNXBMFYSA-N 0 1 389.359 3.051 20 0 GGADMN O=C(c1cc(Br)c2ccccc2c1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000645880818 567677871 /nfs/dbraw/zinc/67/78/71/567677871.db2.gz BQOWMKMZGZXNGW-LBPRGKRZSA-N 0 1 386.253 3.135 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000531781719 567679103 /nfs/dbraw/zinc/67/91/03/567679103.db2.gz 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/nfs/dbraw/zinc/68/32/57/567683257.db2.gz NNIUMWYDRHWVMM-ZDUSSCGKSA-N 0 1 376.298 3.487 20 0 GGADMN OCCC1(CNCc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000573048236 567683112 /nfs/dbraw/zinc/68/31/12/567683112.db2.gz VULIOPQFZGUKCB-UHFFFAOYSA-N 0 1 379.302 3.062 20 0 GGADMN CCc1nocc1CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000507505230 567683525 /nfs/dbraw/zinc/68/35/25/567683525.db2.gz AITUQBJNZDWLFJ-GFCCVEGCSA-N 0 1 393.285 3.245 20 0 GGADMN C[C@@](O)(CNCc1ccc(OC(F)F)c(Br)c1)C(F)(F)F ZINC000507964351 567719997 /nfs/dbraw/zinc/71/99/97/567719997.db2.gz JUIFIMVKYJGPHI-LLVKDONJSA-N 0 1 378.135 3.453 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n[nH]1 ZINC000573060828 567685231 /nfs/dbraw/zinc/68/52/31/567685231.db2.gz AFROKEDBSJIXMX-UHFFFAOYSA-N 0 1 379.251 3.351 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CNCc1cnc(C2CC2)s1 ZINC000531883847 567685196 /nfs/dbraw/zinc/68/51/96/567685196.db2.gz RWFQWMQFDILGSW-UHFFFAOYSA-N 0 1 379.551 3.138 20 0 GGADMN Cc1[nH]ncc1CNS(=O)(=O)c1ccc2cc(Br)ccc2c1 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O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000532712737 567730013 /nfs/dbraw/zinc/73/00/13/567730013.db2.gz PSKNZSKNQIFRLK-SNVBAGLBSA-N 0 1 376.787 3.067 20 0 GGADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000646576850 567730249 /nfs/dbraw/zinc/73/02/49/567730249.db2.gz UCAQDPUKTNNZAL-WBMJQRKESA-N 0 1 392.297 3.376 20 0 GGADMN CC[C@@H](C)CCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000597978014 567730200 /nfs/dbraw/zinc/73/02/00/567730200.db2.gz NKVVNODZUHSRHX-SNVBAGLBSA-N 0 1 398.244 3.299 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)Nc1cccc(I)c1 ZINC000532729455 567730663 /nfs/dbraw/zinc/73/06/63/567730663.db2.gz QXZOWUQRJSMBQA-NSHDSACASA-N 0 1 392.306 3.303 20 0 GGADMN Cc1nn(C)c(CNCCOc2ncccc2C(F)(F)F)c1Br ZINC000573674414 567730422 /nfs/dbraw/zinc/73/04/22/567730422.db2.gz FUXHKNZFQLHHSY-UHFFFAOYSA-N 0 1 393.207 3.073 20 0 GGADMN O=S(=O)(CCc1ccccc1Br)Nc1cccc2c1OCO2 ZINC000461344282 567730893 /nfs/dbraw/zinc/73/08/93/567730893.db2.gz NDZACPAJTSLVPS-UHFFFAOYSA-N 0 1 384.251 3.162 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)c1cc(Br)cn1C(C)C ZINC000646603646 567731927 /nfs/dbraw/zinc/73/19/27/567731927.db2.gz QWKRMVULSNVOKF-CQSZACIVSA-N 0 1 380.286 3.270 20 0 GGADMN CC1(C)CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CCN1 ZINC000573723031 567732539 /nfs/dbraw/zinc/73/25/39/567732539.db2.gz QOJPJQANNRZDKI-UHFFFAOYSA-N 0 1 390.281 3.460 20 0 GGADMN CCC(CC)[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)c1ccccc1 ZINC000443109463 567732923 /nfs/dbraw/zinc/73/29/23/567732923.db2.gz PIHVSOFXCGINBA-OAHLLOKOSA-N 0 1 382.507 3.386 20 0 GGADMN COC(=O)c1ncc(NS(=O)(=O)c2cccc(Cl)c2F)cc1Cl ZINC000508143967 567732935 /nfs/dbraw/zinc/73/29/35/567732935.db2.gz PUZYLMWTFLGFNJ-UHFFFAOYSA-N 0 1 379.196 3.115 20 0 GGADMN COC(=O)c1ncc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000508140700 567733233 /nfs/dbraw/zinc/73/32/33/567733233.db2.gz ARPXYQWKGTYKSR-UHFFFAOYSA-N 0 1 375.233 3.284 20 0 GGADMN COCC[N@H+](CC(=O)[O-])Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000573777332 567735293 /nfs/dbraw/zinc/73/52/93/567735293.db2.gz JOSSTHAFLAFWAL-UHFFFAOYSA-N 0 1 379.869 3.249 20 0 GGADMN COCC[N@@H+](CC(=O)[O-])Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000573777332 567735301 /nfs/dbraw/zinc/73/53/01/567735301.db2.gz JOSSTHAFLAFWAL-UHFFFAOYSA-N 0 1 379.869 3.249 20 0 GGADMN O=C(N[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000646697970 567735826 /nfs/dbraw/zinc/73/58/26/567735826.db2.gz JNDRTEDDXGPAMM-UHLUBPPHSA-N 0 1 379.791 3.367 20 0 GGADMN O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000646697969 567736012 /nfs/dbraw/zinc/73/60/12/567736012.db2.gz JNDRTEDDXGPAMM-FUXBKTLASA-N 0 1 379.791 3.367 20 0 GGADMN OC[C@H](CNc1noc2ccc(Br)cc21)Cc1ccc(F)cc1 ZINC000573790792 567736294 /nfs/dbraw/zinc/73/62/94/567736294.db2.gz UKTHXGFIGFDEKI-LBPRGKRZSA-N 0 1 379.229 3.414 20 0 GGADMN CO[C@]1(CNCc2csc(-c3cccc(Br)c3)n2)CCOC1 ZINC000461434909 567736514 /nfs/dbraw/zinc/73/65/14/567736514.db2.gz ZZEHJHJSHITPSN-INIZCTEOSA-N 0 1 383.311 3.468 20 0 GGADMN CCOCCOc1ccc(Br)cc1CNCc1ccc[nH]c1=O ZINC000623777273 567736749 /nfs/dbraw/zinc/73/67/49/567736749.db2.gz XWAROIRMKKDGNN-UHFFFAOYSA-N 0 1 381.270 3.255 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@@H](COC(F)F)C1)c1ccc(Cl)cc1 ZINC000554578270 567737421 /nfs/dbraw/zinc/73/74/21/567737421.db2.gz BOKQLQJPTXRMMD-IUODEOHRSA-N 0 1 375.847 3.213 20 0 GGADMN Cc1ccc(CNCC(=O)Nc2ccc3c(c2)OCCO3)cc1Br ZINC000623780023 567737524 /nfs/dbraw/zinc/73/75/24/567737524.db2.gz XTKGZWDPYXDABM-UHFFFAOYSA-N 0 1 391.265 3.257 20 0 GGADMN C[NH+](C)Cc1ccccc1NC(=O)c1cc(I)ccc1[O-] ZINC000554611749 567738494 /nfs/dbraw/zinc/73/84/94/567738494.db2.gz SNOPOTDPULKJFS-UHFFFAOYSA-N 0 1 396.228 3.311 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000554636781 567739363 /nfs/dbraw/zinc/73/93/63/567739363.db2.gz NKEYZWLTKIAWSF-CQSZACIVSA-N 0 1 378.314 3.334 20 0 GGADMN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000646736082 567740306 /nfs/dbraw/zinc/74/03/06/567740306.db2.gz IODRCVKOTFQHEZ-RISCZKNCSA-N 0 1 377.286 3.125 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)CCC(N)=O ZINC000573845143 567740213 /nfs/dbraw/zinc/74/02/13/567740213.db2.gz ICTRQXLDUDKKJC-UHFFFAOYSA-N 0 1 379.302 3.065 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000532856774 567740314 /nfs/dbraw/zinc/74/03/14/567740314.db2.gz OZTBYGAIMWEAEZ-UHFFFAOYSA-N 0 1 397.953 3.393 20 0 GGADMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000646736083 567740486 /nfs/dbraw/zinc/74/04/86/567740486.db2.gz IODRCVKOTFQHEZ-SMDDNHRTSA-N 0 1 377.286 3.125 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)[C@H]1CCN(C)C1 ZINC000646763818 567741234 /nfs/dbraw/zinc/74/12/34/567741234.db2.gz JFTVJUGBVIGXBH-JTQLQIEISA-N 0 1 376.259 3.014 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(Cl)c1 ZINC000573877747 567741170 /nfs/dbraw/zinc/74/11/70/567741170.db2.gz OJCMUCPMUQDRTB-ACJLOTCBSA-N 0 1 382.913 3.318 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F)[C@@H]1CCN(C)C1 ZINC000646763821 567741306 /nfs/dbraw/zinc/74/13/06/567741306.db2.gz JFTVJUGBVIGXBH-SNVBAGLBSA-N 0 1 376.259 3.014 20 0 GGADMN Cc1cc2cc(C(=O)N[C@@H](CO)CN3CCCCC3)oc2c(Br)c1 ZINC000554682197 567742035 /nfs/dbraw/zinc/74/20/35/567742035.db2.gz VUSABZUNRPRTKD-CQSZACIVSA-N 0 1 395.297 3.080 20 0 GGADMN CCc1nocc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000667350727 567743214 /nfs/dbraw/zinc/74/32/14/567743214.db2.gz QRQCFLMTZGFMAP-UHFFFAOYSA-N 0 1 393.285 3.004 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)CN1Cc1ccccc1 ZINC000554702347 567743230 /nfs/dbraw/zinc/74/32/30/567743230.db2.gz ZCVROYSOYXCXON-DNVCBOLYSA-N 0 1 378.925 3.422 20 0 GGADMN NC(=O)c1cnccc1N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000573910035 567743454 /nfs/dbraw/zinc/74/34/54/567743454.db2.gz LTTXWDJKEBAMDA-AWEZNQCLSA-N 0 1 375.270 3.024 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)c2nccn21 ZINC000573898825 567743472 /nfs/dbraw/zinc/74/34/72/567743472.db2.gz BWASTRIRXRPDAH-JOYOIKCWSA-N 0 1 389.257 3.027 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2ccc(Cl)c(F)c2)c(C)s1 ZINC000532932555 567743603 /nfs/dbraw/zinc/74/36/03/567743603.db2.gz XYAAUTRZXSZVPG-UHFFFAOYSA-N 0 1 376.906 3.226 20 0 GGADMN CCOCC(C)(C)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000554710731 567743598 /nfs/dbraw/zinc/74/35/98/567743598.db2.gz XGLZGAPYVLMXNO-UHFFFAOYSA-N 0 1 386.258 3.068 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)c2nccn21 ZINC000573898826 567744004 /nfs/dbraw/zinc/74/40/04/567744004.db2.gz BWASTRIRXRPDAH-SKDRFNHKSA-N 0 1 389.257 3.027 20 0 GGADMN C[NH+](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccs1 ZINC000573926655 567745426 /nfs/dbraw/zinc/74/54/26/567745426.db2.gz DTNMKGDGCHJZAM-NSHDSACASA-N 0 1 380.869 3.261 20 0 GGADMN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1ncccc1Cl ZINC000554725766 567745486 /nfs/dbraw/zinc/74/54/86/567745486.db2.gz KXUXDWLLFMVZPU-UHFFFAOYSA-N 0 1 390.248 3.156 20 0 GGADMN O=C(NCc1cccc(Cl)c1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000554750825 567746569 /nfs/dbraw/zinc/74/65/69/567746569.db2.gz GDJYTNJWLCLVDE-CQSZACIVSA-N 0 1 386.323 3.247 20 0 GGADMN O[C@@H](CN[C@@H]1CCCc2scnc21)COc1ccccc1Br ZINC000623920362 567746655 /nfs/dbraw/zinc/74/66/55/567746655.db2.gz KCBZRYHCINPTGF-WCQYABFASA-N 0 1 383.311 3.313 20 0 GGADMN O[C@H](CN[C@@H]1CCCc2scnc21)COc1ccccc1Br ZINC000623920361 567746993 /nfs/dbraw/zinc/74/69/93/567746993.db2.gz KCBZRYHCINPTGF-DGCLKSJQSA-N 0 1 383.311 3.313 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnn(-c3cccc(Br)c3)c2)[C@@H](C)C1 ZINC000554755977 567747775 /nfs/dbraw/zinc/74/77/75/567747775.db2.gz XDHQTPAWKGNAMG-KBPBESRZSA-N 0 1 391.313 3.190 20 0 GGADMN CCN1C[C@H](C)N(C(=O)CCc2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000554755183 567748074 /nfs/dbraw/zinc/74/80/74/567748074.db2.gz IBEURJCYTCWRJV-KBPBESRZSA-N 0 1 383.330 3.331 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Br)s1 ZINC000443338620 567749971 /nfs/dbraw/zinc/74/99/71/567749971.db2.gz AWXOQMFVZLPBLM-LLVKDONJSA-N 0 1 396.310 3.187 20 0 GGADMN C[C@H](CN1CCC(C)CC1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000598264938 567751865 /nfs/dbraw/zinc/75/18/65/567751865.db2.gz RRYAYNMKXFMPCE-OAHLLOKOSA-N 0 1 382.957 3.493 20 0 GGADMN O=S1(=O)NC(CSc2nc3cc(Cl)ccc3[nH]2)=Nc2ccccc21 ZINC000508526136 567751818 /nfs/dbraw/zinc/75/18/18/567751818.db2.gz IZRQPSMGHCSOFB-UHFFFAOYSA-N 0 1 378.866 3.331 20 0 GGADMN O=S(=O)([N-][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1c(Cl)cccc1C(F)(F)F ZINC000461897544 567752283 /nfs/dbraw/zinc/75/22/83/567752283.db2.gz XRZILTATWIRRFR-GXFFZTMASA-N 0 1 382.835 3.025 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000646961080 567752553 /nfs/dbraw/zinc/75/25/53/567752553.db2.gz SUQQTIKGKVLIPV-MRXNPFEDSA-N 0 1 391.313 3.157 20 0 GGADMN O=C(NCCN1CCC1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000533107180 567752513 /nfs/dbraw/zinc/75/25/13/567752513.db2.gz WGDQTIKSYLDTDY-UHFFFAOYSA-N 0 1 386.323 3.047 20 0 GGADMN COc1ccc(CN(C)CC(C)(C)CN2CCOCC2)c(Br)c1 ZINC000554855935 567752784 /nfs/dbraw/zinc/75/27/84/567752784.db2.gz HSRPCZMQKLPKGX-UHFFFAOYSA-N 0 1 385.346 3.248 20 0 GGADMN C[C@H]1CCCN1S(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000574056740 567753091 /nfs/dbraw/zinc/75/30/91/567753091.db2.gz HICVDAVJJDYLPH-LRDDRELGSA-N 0 1 382.917 3.472 20 0 GGADMN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ncc(C)cc1Br ZINC000533121369 567753769 /nfs/dbraw/zinc/75/37/69/567753769.db2.gz QMLRGJBKAXXBKY-UHFFFAOYSA-N 0 1 387.303 3.348 20 0 GGADMN Cc1cccnc1CNC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000574072520 567753789 /nfs/dbraw/zinc/75/37/89/567753789.db2.gz WBBHVYUDTMRNSA-CYBMUJFWSA-N 0 1 385.689 3.335 20 0 GGADMN Cc1cccnc1CNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000574072521 567753872 /nfs/dbraw/zinc/75/38/72/567753872.db2.gz WBBHVYUDTMRNSA-ZDUSSCGKSA-N 0 1 385.689 3.335 20 0 GGADMN Cc1c(F)c(Br)ccc1NC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000667505048 567754251 /nfs/dbraw/zinc/75/42/51/567754251.db2.gz CLFCSZQILZZFCX-LLVKDONJSA-N 0 1 398.236 3.188 20 0 GGADMN CCOc1cccc(S(=O)(=O)Nc2cc3c(cc2SC)OCCO3)c1 ZINC000443408066 567754842 /nfs/dbraw/zinc/75/48/42/567754842.db2.gz JVOOHNICOAUWFI-UHFFFAOYSA-N 0 1 381.475 3.379 20 0 GGADMN Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000533168698 567754865 /nfs/dbraw/zinc/75/48/65/567754865.db2.gz IDCFSCWAKRGBNU-UHFFFAOYSA-N 0 1 395.897 3.003 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000461926180 567755588 /nfs/dbraw/zinc/75/55/88/567755588.db2.gz CWRLCJAESBICNQ-UHFFFAOYSA-N 0 1 378.274 3.403 20 0 GGADMN COc1cc(Br)ccc1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000647030999 567755824 /nfs/dbraw/zinc/75/58/24/567755824.db2.gz DUMNLXMKJXNRTP-WOSRLPQWSA-N 0 1 381.314 3.260 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000443418581 567756017 /nfs/dbraw/zinc/75/60/17/567756017.db2.gz NSPPSPZGCQWCPP-UHFFFAOYSA-N 0 1 396.774 3.486 20 0 GGADMN Cc1c(Br)cncc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000667558280 567756010 /nfs/dbraw/zinc/75/60/10/567756010.db2.gz BUSGSZBOXWLWRX-CKEIUWERSA-N 0 1 382.346 3.226 20 0 GGADMN Cc1c(Br)cncc1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000667554562 567756490 /nfs/dbraw/zinc/75/64/90/567756490.db2.gz ZQRCLQVOQQHGGV-QGZVFWFLSA-N 0 1 379.298 3.162 20 0 GGADMN CCC[C@H](CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OCC ZINC000624051245 567756475 /nfs/dbraw/zinc/75/64/75/567756475.db2.gz WXZZPZSJVMZDIT-GHMZBOCLSA-N 0 1 383.341 3.497 20 0 GGADMN C[C@@H](C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1cccc(Br)c1 ZINC000461937110 567756810 /nfs/dbraw/zinc/75/68/10/567756810.db2.gz OXXLNTOSANKNOZ-LSDHHAIUSA-N 0 1 395.341 3.264 20 0 GGADMN O=S(=O)(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000554918183 567756809 /nfs/dbraw/zinc/75/68/09/567756809.db2.gz BBPDFGUZMZBILH-PXAZEXFGSA-N 0 1 387.835 3.063 20 0 GGADMN Cc1c(Br)cncc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000667558282 567756928 /nfs/dbraw/zinc/75/69/28/567756928.db2.gz BUSGSZBOXWLWRX-JKIFEVAISA-N 0 1 382.346 3.226 20 0 GGADMN COC[C@@](C)(CC(=O)OC)NCc1ccc(Br)cc1SC ZINC000554925685 567757503 /nfs/dbraw/zinc/75/75/03/567757503.db2.gz FFCAKCAMGIBCPE-OAHLLOKOSA-N 0 1 376.316 3.229 20 0 GGADMN C[C@H]1CC(NC(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000574135261 567758616 /nfs/dbraw/zinc/75/86/16/567758616.db2.gz BOJNDEQFONRHDF-UWVGGRQHSA-N 0 1 381.274 3.081 20 0 GGADMN Cc1ncsc1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000533200110 567759229 /nfs/dbraw/zinc/75/92/29/567759229.db2.gz DPICCVWFXPEROY-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN O=S1(=O)NC(CN2CCC[C@@H]2c2cccc(Cl)c2)=Nc2ccccc21 ZINC000533241029 567761081 /nfs/dbraw/zinc/76/10/81/567761081.db2.gz GWRJXFBTMGVIFL-MRXNPFEDSA-N 0 1 375.881 3.499 20 0 GGADMN C[N@@H+](CCn1cccn1)Cc1cc(Br)c([O-])c(Br)c1 ZINC000667626588 567761151 /nfs/dbraw/zinc/76/11/51/567761151.db2.gz AHKAUOMCGWCMMW-UHFFFAOYSA-N 0 1 389.091 3.246 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccccc1NC(=O)c1cccs1)C(C)C ZINC000647126304 567761757 /nfs/dbraw/zinc/76/17/57/567761757.db2.gz OKXUAWFGYQILEU-OAHLLOKOSA-N 0 1 382.507 3.413 20 0 GGADMN CN(C)C(=O)c1ccc(=N[C@H]2c3cccc(Br)c3CC2(C)C)[nH]n1 ZINC000574172577 567761786 /nfs/dbraw/zinc/76/17/86/567761786.db2.gz LVFDKBKFZHIPRO-INIZCTEOSA-N 0 1 389.297 3.098 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc(-c2ccccc2)cs1 ZINC000624136537 567762403 /nfs/dbraw/zinc/76/24/03/567762403.db2.gz NBEOYNWVZAGYFP-NUEKZKHPSA-N 0 1 379.551 3.321 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)CC2)CCO1 ZINC000462046145 567762369 /nfs/dbraw/zinc/76/23/69/567762369.db2.gz HVFGUNFTPNKGCG-IUODEOHRSA-N 0 1 383.945 3.284 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1 ZINC000462046744 567762399 /nfs/dbraw/zinc/76/23/99/567762399.db2.gz KSPVOTOCVYVPSC-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000533263054 567762428 /nfs/dbraw/zinc/76/24/28/567762428.db2.gz KUOQICKRCSDULD-CQSZACIVSA-N 0 1 382.913 3.361 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)CC2)CCO1 ZINC000462046144 567762544 /nfs/dbraw/zinc/76/25/44/567762544.db2.gz HVFGUNFTPNKGCG-DOMZBBRYSA-N 0 1 383.945 3.284 20 0 GGADMN COc1cc(C)c(Br)cc1NS(=O)(=O)C[C@H](OC)C(C)C ZINC000647130396 567762914 /nfs/dbraw/zinc/76/29/14/567762914.db2.gz YHYCUDLSGDJAMB-AWEZNQCLSA-N 0 1 380.304 3.179 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cccc(Br)c2OC(F)F)[C@@H]1OC ZINC000508714587 567762899 /nfs/dbraw/zinc/76/28/99/567762899.db2.gz HMESLRVGHWFKHM-BZPMIXESSA-N 0 1 380.229 3.333 20 0 GGADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Br)ccc1F ZINC000624137707 567763140 /nfs/dbraw/zinc/76/31/40/567763140.db2.gz SDTXUNILJNJHRM-COLVAYQJSA-N 0 1 393.322 3.099 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(Br)ccc2OC(F)F)[C@H]1OC ZINC000508720914 567763913 /nfs/dbraw/zinc/76/39/13/567763913.db2.gz SRGZRVAACGTQDZ-MRVWCRGKSA-N 0 1 380.229 3.333 20 0 GGADMN O=S(=O)(NCCNCc1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000533330219 567764082 /nfs/dbraw/zinc/76/40/82/567764082.db2.gz FDXPTGVJSAVOCK-UHFFFAOYSA-N 0 1 380.466 3.215 20 0 GGADMN Brc1cc(/C=C\c2nc([C@H]3CCCN3)no2)cc2c1OCCO2 ZINC000647149405 567764280 /nfs/dbraw/zinc/76/42/80/567764280.db2.gz LHULKBDLWOCOGB-VSQXVHSFSA-N 0 1 378.226 3.198 20 0 GGADMN Clc1ccc([C@@H](c2nc([C@@H]3CCCN3)no2)N2CCOCC2)c(Cl)c1 ZINC000647149796 567764603 /nfs/dbraw/zinc/76/46/03/567764603.db2.gz SECMSUXXGMPRDW-GJZGRUSLSA-N 0 1 383.279 3.223 20 0 GGADMN Brc1cc(/C=C/c2nc([C@H]3CCCN3)no2)cc2c1OCCO2 ZINC000647149402 567764818 /nfs/dbraw/zinc/76/48/18/567764818.db2.gz LHULKBDLWOCOGB-AAOUONPWSA-N 0 1 378.226 3.198 20 0 GGADMN CC(=O)[C@@H](NC(=O)CNC1(c2ccc(Br)cc2)CCC1)C(C)C ZINC000533355623 567765258 /nfs/dbraw/zinc/76/52/58/567765258.db2.gz ZRNLCWVXXQCNLN-KRWDZBQOSA-N 0 1 381.314 3.148 20 0 GGADMN CS(=O)(=O)NC[C@H]1CCCN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000533352456 567765448 /nfs/dbraw/zinc/76/54/48/567765448.db2.gz UANCCYPSLBKRHO-GFCCVEGCSA-N 0 1 397.393 3.347 20 0 GGADMN Cc1cc(N2C[C@H](c3nc([C@H]4CCCN4)no3)CC2=O)ccc1Br ZINC000647153321 567765984 /nfs/dbraw/zinc/76/59/84/567765984.db2.gz ZGMURJJWQOTCMC-BXUZGUMPSA-N 0 1 391.269 3.086 20 0 GGADMN Cc1cc(N2C[C@@H](c3nc([C@H]4CCCN4)no3)CC2=O)ccc1Br ZINC000647153324 567766231 /nfs/dbraw/zinc/76/62/31/567766231.db2.gz ZGMURJJWQOTCMC-SMDDNHRTSA-N 0 1 391.269 3.086 20 0 GGADMN C[C@@H](CC(=O)NCCN1CCSCC1)c1ccc(F)c(Br)c1 ZINC000462073962 567766329 /nfs/dbraw/zinc/76/63/29/567766329.db2.gz YTIOBMIXGNTEFF-LBPRGKRZSA-N 0 1 389.334 3.247 20 0 GGADMN Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CCC2)CC1 ZINC000508776831 567766699 /nfs/dbraw/zinc/76/66/99/567766699.db2.gz DPYBFLCEKFPXCA-UHFFFAOYSA-N 0 1 394.292 3.058 20 0 GGADMN COC(=O)CC1(NCc2nnc(-c3ccc(Br)o3)o2)CCCCC1 ZINC000533390638 567767304 /nfs/dbraw/zinc/76/73/04/567767304.db2.gz YRWINWNULYZEGN-UHFFFAOYSA-N 0 1 398.257 3.448 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1F ZINC000462076079 567767453 /nfs/dbraw/zinc/76/74/53/567767453.db2.gz QMUXABXXCHZNFO-UHFFFAOYSA-N 0 1 396.431 3.446 20 0 GGADMN Cc1cc(Br)c(Cl)cc1NC(=O)NCCN1CCCOCC1 ZINC000667687846 567767421 /nfs/dbraw/zinc/76/74/21/567767421.db2.gz YXWFHXQVYUEOTL-UHFFFAOYSA-N 0 1 390.709 3.255 20 0 GGADMN C[C@@H](CN1CCCC1=O)NCc1cc(OC(F)F)ccc1Br ZINC000647173197 567767890 /nfs/dbraw/zinc/76/78/90/567767890.db2.gz YBGVOIYONOJMLC-JTQLQIEISA-N 0 1 377.229 3.151 20 0 GGADMN CC(C)Cn1nccc1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000647176328 567768024 /nfs/dbraw/zinc/76/80/24/567768024.db2.gz CHMHRORIRFMKDV-UHFFFAOYSA-N 0 1 380.286 3.363 20 0 GGADMN Cc1cnc(CCNCc2c(Br)cncc2Br)nc1 ZINC000555092440 567768284 /nfs/dbraw/zinc/76/82/84/567768284.db2.gz GICQISXIFMZNDF-UHFFFAOYSA-N 0 1 386.091 3.037 20 0 GGADMN Cc1ncc(Br)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000574269959 567768326 /nfs/dbraw/zinc/76/83/26/567768326.db2.gz WJMBQNWUHRSGIG-UHFFFAOYSA-N 0 1 395.278 3.472 20 0 GGADMN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCCCc1nc[nH]n1 ZINC000574286818 567769541 /nfs/dbraw/zinc/76/95/41/567769541.db2.gz CHAPYKKZYFPIER-UHFFFAOYSA-N 0 1 380.235 3.438 20 0 GGADMN CCO[C@@H]1COCC[C@H]1NCc1cc(OC(F)F)ccc1Br ZINC000647201538 567769842 /nfs/dbraw/zinc/76/98/42/567769842.db2.gz RCDDKXKMIGCVRR-ZIAGYGMSSA-N 0 1 380.229 3.334 20 0 GGADMN O=C(COc1ccc(F)cc1Br)Nc1cccc(-c2cn[nH]n2)c1 ZINC000443666444 567769962 /nfs/dbraw/zinc/76/99/62/567769962.db2.gz FEDFNSBXNUOULK-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN 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0 1 398.238 3.103 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000508871193 567771293 /nfs/dbraw/zinc/77/12/93/567771293.db2.gz CECHSRUAJQTZRR-OAHLLOKOSA-N 0 1 383.330 3.456 20 0 GGADMN COCC[C@]1(NCc2cc(OC(F)F)ccc2Br)CCOC1 ZINC000647206957 567771537 /nfs/dbraw/zinc/77/15/37/567771537.db2.gz NUPSBICRACCPGM-HNNXBMFYSA-N 0 1 380.229 3.336 20 0 GGADMN COCC1(NCc2cc(OC(F)F)ccc2Br)CCOCC1 ZINC000647213073 567771765 /nfs/dbraw/zinc/77/17/65/567771765.db2.gz LMSVTLUALFGICK-UHFFFAOYSA-N 0 1 380.229 3.336 20 0 GGADMN CCSc1cccc(F)c1NS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000555145004 567771837 /nfs/dbraw/zinc/77/18/37/567771837.db2.gz YHLXSJMMPNBTGY-UHFFFAOYSA-N 0 1 375.472 3.153 20 0 GGADMN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@@H]1CCCc2n[nH]nc21 ZINC000667738265 567771971 /nfs/dbraw/zinc/77/19/71/567771971.db2.gz JKIXBZGROKIWAJ-GFCCVEGCSA-N 0 1 377.901 3.070 20 0 GGADMN Cc1cccc([C@H]2CCCN2Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000533483745 567772079 /nfs/dbraw/zinc/77/20/79/567772079.db2.gz 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CC(C)CNC(=O)c1cccc(CN(C)CCn2cc(Br)cn2)c1 ZINC000574435315 567778017 /nfs/dbraw/zinc/77/80/17/567778017.db2.gz QEVGMSYBYVXWAO-UHFFFAOYSA-N 0 1 393.329 3.163 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632866 567778698 /nfs/dbraw/zinc/77/86/98/567778698.db2.gz IRTTVHPHHALLLU-YOEHRIQHSA-N 0 1 379.913 3.066 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000533628717 567778878 /nfs/dbraw/zinc/77/88/78/567778878.db2.gz VYGACHZULDDOCL-UHFFFAOYSA-N 0 1 376.825 3.305 20 0 GGADMN Cc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000533624335 567779192 /nfs/dbraw/zinc/77/91/92/567779192.db2.gz YTVFTEAAWIOKHC-UHFFFAOYSA-N 0 1 376.663 3.189 20 0 GGADMN Cc1nc(S(=O)(=O)NCCCOC2CCCCC2)sc1Br ZINC000443888434 567779304 /nfs/dbraw/zinc/77/93/04/567779304.db2.gz JYJZZSSTWLCHQZ-UHFFFAOYSA-N 0 1 397.360 3.232 20 0 GGADMN CC[C@H](N[C@H](C)c1sc(CCOC)nc1C)C(=O)NCc1cccs1 ZINC000647333823 567779678 /nfs/dbraw/zinc/77/96/78/567779678.db2.gz AGTRMANPKVWSBL-DOMZBBRYSA-N 0 1 381.567 3.448 20 0 GGADMN CC[C@H](C)C[C@H](CO)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647336788 567780106 /nfs/dbraw/zinc/78/01/06/567780106.db2.gz GMYOONKSNBFYQE-LNSITVRQSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1nc(S(=O)(=O)NCCCc2ccccc2)sc1Br ZINC000443907091 567780274 /nfs/dbraw/zinc/78/02/74/567780274.db2.gz RKCPJDHZEMEGRL-UHFFFAOYSA-N 0 1 375.313 3.125 20 0 GGADMN CC[C@@H](N[C@@H](C)c1sc(CCOC)nc1C)C(=O)NCc1cccs1 ZINC000647333825 567780256 /nfs/dbraw/zinc/78/02/56/567780256.db2.gz AGTRMANPKVWSBL-SWLSCSKDSA-N 0 1 381.567 3.448 20 0 GGADMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(F)(F)F ZINC000443926594 567780341 /nfs/dbraw/zinc/78/03/41/567780341.db2.gz KKHCILMBZBSCDI-PRHODGIISA-N 0 1 387.807 3.382 20 0 GGADMN Cc1ccc([C@@H](CNS(=O)(=O)CCc2cccs2)N2CCCC2)cc1 ZINC000443907452 567780509 /nfs/dbraw/zinc/78/05/09/567780509.db2.gz IIYSFWJIMGVRMO-LJQANCHMSA-N 0 1 378.563 3.356 20 0 GGADMN C[C@@H]1SCC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647360424 567780940 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O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cccc(-n2ccnn2)c1 ZINC000533711236 567783837 /nfs/dbraw/zinc/78/38/37/567783837.db2.gz MGIKUAXTKJIABV-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN1CCc2ccccc2C1 ZINC000533709099 567784307 /nfs/dbraw/zinc/78/43/07/567784307.db2.gz ZLSHBDKNQLFMKN-KRWDZBQOSA-N 0 1 380.257 3.386 20 0 GGADMN COc1cc(CNCc2ccc(C)c(S(C)(=O)=O)c2)cc(Cl)c1OC ZINC000444005385 567784607 /nfs/dbraw/zinc/78/46/07/567784607.db2.gz WUODGFZVFFYIDX-UHFFFAOYSA-N 0 1 383.897 3.359 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(Br)c2F)C1 ZINC000667925147 567784663 /nfs/dbraw/zinc/78/46/63/567784663.db2.gz MMXIZPFIQYRMLA-GFCCVEGCSA-N 0 1 388.281 3.067 20 0 GGADMN Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1S(C)(=O)=O ZINC000443987467 567784775 /nfs/dbraw/zinc/78/47/75/567784775.db2.gz JOIIEIGMYBZBGU-UHFFFAOYSA-N 0 1 381.881 3.113 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cncc(Br)c2)c1 ZINC000574565389 567785349 /nfs/dbraw/zinc/78/53/49/567785349.db2.gz VHAIWYJAQQCLLE-UHFFFAOYSA-N 0 1 391.674 3.445 20 0 GGADMN CCC(CC)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)nc1)c1cccs1 ZINC000624523764 567785504 /nfs/dbraw/zinc/78/55/04/567785504.db2.gz LSNQPARGHHNNGY-INIZCTEOSA-N 0 1 381.523 3.422 20 0 GGADMN COC(=O)c1nc[nH]c1NC(=O)CCSc1ccccc1Br ZINC000555513203 567786697 /nfs/dbraw/zinc/78/66/97/567786697.db2.gz XSTJKULUCPPBKE-UHFFFAOYSA-N 0 1 384.255 3.080 20 0 GGADMN C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)CC1(O)CCC1 ZINC000667987121 567786815 /nfs/dbraw/zinc/78/68/15/567786815.db2.gz ZBBITQWQVSNXNK-UHFFFAOYSA-N 0 1 379.092 3.264 20 0 GGADMN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000555525419 567787185 /nfs/dbraw/zinc/78/71/85/567787185.db2.gz XHXGXMRIOUIDTD-UHFFFAOYSA-N 0 1 391.225 3.039 20 0 GGADMN CCOc1c(Br)cc(CN[C@H](CO)CC(F)(F)F)cc1OC ZINC000533802349 567787270 /nfs/dbraw/zinc/78/72/70/567787270.db2.gz QIYZMSZMNPHIEJ-JTQLQIEISA-N 0 1 386.208 3.259 20 0 GGADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1 ZINC000533784198 567787677 /nfs/dbraw/zinc/78/76/77/567787677.db2.gz 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COc1nc(NC[C@H](c2ccc(C)o2)N2CCCC2)ncc1Br ZINC000444091178 567792577 /nfs/dbraw/zinc/79/25/77/567792577.db2.gz VQOWAFDIIBKHAY-CYBMUJFWSA-N 0 1 381.274 3.398 20 0 GGADMN Cc1cc(C(=O)N2CCC3(CN(C)C3)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000647622586 567793131 /nfs/dbraw/zinc/79/31/31/567793131.db2.gz NRIJPFFYQLVOIF-UHFFFAOYSA-N 0 1 379.291 3.265 20 0 GGADMN C[C@H]1CCC[C@@]1(O)CNCc1c(F)ccc(I)c1F ZINC000555638266 567793256 /nfs/dbraw/zinc/79/32/56/567793256.db2.gz VFEZNAFTVISXLR-LKFCYVNXSA-N 0 1 381.204 3.210 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1csc(-c3ccc(Br)s3)n1)C2 ZINC000647622006 567793408 /nfs/dbraw/zinc/79/34/08/567793408.db2.gz QDMOKQGVVKBTLY-UHFFFAOYSA-N 0 1 398.351 3.412 20 0 GGADMN C[C@H]1CCC[C@]1(O)CNCc1c(F)ccc(I)c1F ZINC000555638272 567793586 /nfs/dbraw/zinc/79/35/86/567793586.db2.gz VFEZNAFTVISXLR-XPTSAGLGSA-N 0 1 381.204 3.210 20 0 GGADMN CC(C)(C)N1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2O)CC1=O ZINC000533968309 567795120 /nfs/dbraw/zinc/79/51/20/567795120.db2.gz HAJFTBJGWISBGY-QMMMGPOBSA-N 0 1 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O=C(c1ccccc1Cl)N1CCC(NCc2nnc(C3CC3)s2)CC1 ZINC000574858467 567801551 /nfs/dbraw/zinc/80/15/51/567801551.db2.gz KNCANBIYWDKCIK-UHFFFAOYSA-N 0 1 376.913 3.463 20 0 GGADMN O=C(CCOc1ccccc1Br)Nc1n[nH]c2cc(O)ccc21 ZINC000647800380 567801891 /nfs/dbraw/zinc/80/18/91/567801891.db2.gz ZYZMYEMFLDKDNY-UHFFFAOYSA-N 0 1 376.210 3.439 20 0 GGADMN CN(CC[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1)c1ccccc1 ZINC000574883912 567802401 /nfs/dbraw/zinc/80/24/01/567802401.db2.gz JYLRSRKNVDDTSQ-UHFFFAOYSA-N 0 1 377.282 3.472 20 0 GGADMN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534205968 567803324 /nfs/dbraw/zinc/80/33/24/567803324.db2.gz LGRXGNMKYMFMAX-SSDOTTSWSA-N 0 1 387.617 3.158 20 0 GGADMN CN(C)[C@@H](CNc1ccccc1S(=O)(=O)N(C)C)c1ccccc1Cl ZINC000647848769 567803759 /nfs/dbraw/zinc/80/37/59/567803759.db2.gz RPSMEAWKAQEFSO-KRWDZBQOSA-N 0 1 381.929 3.305 20 0 GGADMN CN(C)[C@H](CNc1ccccc1S(=O)(=O)N(C)C)c1ccccc1Cl ZINC000647848770 567804095 /nfs/dbraw/zinc/80/40/95/567804095.db2.gz RPSMEAWKAQEFSO-QGZVFWFLSA-N 0 1 381.929 3.305 20 0 GGADMN O=c1[nH]cccc1CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000599082893 567804538 /nfs/dbraw/zinc/80/45/38/567804538.db2.gz DUXPOCAZOFTEHD-CQSZACIVSA-N 0 1 396.228 3.395 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000444389075 567804542 /nfs/dbraw/zinc/80/45/42/567804542.db2.gz NJQFZXHJHGIPMC-CHWSQXEVSA-N 0 1 389.323 3.064 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCCOc2ncc(Cl)cc2Cl)n[nH]1 ZINC000534259431 567804812 /nfs/dbraw/zinc/80/48/12/567804812.db2.gz URDGGCCHTQFJJY-VIFPVBQESA-N 0 1 387.271 3.069 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444389078 567805138 /nfs/dbraw/zinc/80/51/38/567805138.db2.gz NJQFZXHJHGIPMC-STQMWFEESA-N 0 1 389.323 3.064 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N(CCN(C)C)Cc1ccsc1 ZINC000668274309 567805224 /nfs/dbraw/zinc/80/52/24/567805224.db2.gz ZGKVDQTXOAEUHW-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN O=S(=O)(Nc1cc(-c2ccc(Br)s2)n[nH]1)N1CCCCC1 ZINC000444425095 567805473 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CS[C@@H](C)CC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000534309630 567807542 /nfs/dbraw/zinc/80/75/42/567807542.db2.gz RVESZSLGPZLEHZ-LBPRGKRZSA-N 0 1 386.359 3.281 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444571179 567807979 /nfs/dbraw/zinc/80/79/79/567807979.db2.gz MELAVCPCXJCFQU-CHWSQXEVSA-N 0 1 389.323 3.064 20 0 GGADMN C[C@@H](NC(=O)CN[C@](C)(CO)c1ccccc1)c1ccc(Br)cc1 ZINC000599173367 567808490 /nfs/dbraw/zinc/80/84/90/567808490.db2.gz VLJPGOJGZREVLI-AUUYWEPGSA-N 0 1 391.309 3.124 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN[C@](C)(CO)c1ccccc1 ZINC000599170204 567808536 /nfs/dbraw/zinc/80/85/36/567808536.db2.gz IMCYPLXOCZPTDS-LJQANCHMSA-N 0 1 381.303 3.449 20 0 GGADMN C[C@](CO)(NCC(=O)Nc1ccc(Br)cc1F)c1ccccc1 ZINC000599173784 567808564 /nfs/dbraw/zinc/80/85/64/567808564.db2.gz YDQURZSXKARMCP-QGZVFWFLSA-N 0 1 381.245 3.024 20 0 GGADMN Cc1cc(NC(=O)CN[C@@](C)(CO)c2ccccc2)ccc1Br ZINC000599171851 567808655 /nfs/dbraw/zinc/80/86/55/567808655.db2.gz JSZUCSDWTCKMDF-SFHVURJKSA-N 0 1 377.282 3.193 20 0 GGADMN Cc1nnc(CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000668396856 567808934 /nfs/dbraw/zinc/80/89/34/567808934.db2.gz NSJOQXINQKKRLT-UHFFFAOYSA-N 0 1 378.929 3.071 20 0 GGADMN Cc1cc(NC(=O)CN2CC[C@H](C3CCOCC3)C2)ccc1Br ZINC000534379524 567809295 /nfs/dbraw/zinc/80/92/95/567809295.db2.gz RWFDCXZQSYRJHW-HNNXBMFYSA-N 0 1 381.314 3.445 20 0 GGADMN CCOC(=O)COc1cccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534401559 567809804 /nfs/dbraw/zinc/80/98/04/567809804.db2.gz KDSFRFBJISFSEI-UHFFFAOYSA-N 0 1 387.816 3.222 20 0 GGADMN O=C(CCc1cc(Cl)ccc1Br)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000575054087 567810278 /nfs/dbraw/zinc/81/02/78/567810278.db2.gz KXQCZVANGPJTDO-LLVKDONJSA-N 0 1 383.677 3.169 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000534422994 567811451 /nfs/dbraw/zinc/81/14/51/567811451.db2.gz PTUKWVFLYCSHTE-UHFFFAOYSA-N 0 1 384.904 3.373 20 0 GGADMN O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000534423023 567811707 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C[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000012857081 570267545 /nfs/dbraw/zinc/26/75/45/570267545.db2.gz PWAPYOCKEANUMN-OAHLLOKOSA-N 0 1 386.517 3.258 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000035277471 570280557 /nfs/dbraw/zinc/28/05/57/570280557.db2.gz GXONFQLCMMOFFJ-SJORKVTESA-N 0 1 381.476 3.373 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000035277466 570280581 /nfs/dbraw/zinc/28/05/81/570280581.db2.gz GXONFQLCMMOFFJ-IRXDYDNUSA-N 0 1 381.476 3.373 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012911996 570291124 /nfs/dbraw/zinc/29/11/24/570291124.db2.gz NNIUFUPNROFTST-GOSISDBHSA-N 0 1 397.906 3.471 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1cc(F)ccc1F ZINC000012919001 570293809 /nfs/dbraw/zinc/29/38/09/570293809.db2.gz QQUJOPLTRMFPTG-UHFFFAOYSA-N 0 1 381.404 3.073 20 0 GGADMN CC1CCC(N(C)C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)CC1 ZINC000012929949 570298774 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GGADMN COc1ccc(COCCCC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cc1 ZINC000089444065 570453490 /nfs/dbraw/zinc/45/34/90/570453490.db2.gz GIMZWNZPFHQNKO-UHFFFAOYSA-N 0 1 396.447 3.424 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccoc1 ZINC000029154848 570469249 /nfs/dbraw/zinc/46/92/49/570469249.db2.gz KVLYOZUBEIJCBF-UHFFFAOYSA-N 0 1 381.398 3.241 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)c3ccc(OC4CCC4)cc3Cl)CCO2)n[nH]1 ZINC000136439291 570473384 /nfs/dbraw/zinc/47/33/84/570473384.db2.gz UKNNYMIPIPRPFC-INIZCTEOSA-N 0 1 390.871 3.166 20 0 GGADMN Cc1nn(C)c2nc(C)c(C(=O)NCC(C)(C)N3CCc4ccccc4C3)cc12 ZINC000030112100 570486078 /nfs/dbraw/zinc/48/60/78/570486078.db2.gz IYHXJYIHMFRWIJ-UHFFFAOYSA-N 0 1 391.519 3.152 20 0 GGADMN Cc1ccccc1CN1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000030372560 570488543 /nfs/dbraw/zinc/48/85/43/570488543.db2.gz STPIYNWTEBZLRY-UHFFFAOYSA-N 0 1 376.497 3.172 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000030565704 570491239 /nfs/dbraw/zinc/49/12/39/570491239.db2.gz 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ZINC000012803007 570718078 /nfs/dbraw/zinc/71/80/78/570718078.db2.gz IFXMFUVAILMLGC-NRFANRHFSA-N 0 1 394.519 3.257 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012974305 570734023 /nfs/dbraw/zinc/73/40/23/570734023.db2.gz HNAANMDNEQJURO-MSOLQXFVSA-N 0 1 377.492 3.480 20 0 GGADMN O=C(Nc1ccccc1)C1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000032714515 570753641 /nfs/dbraw/zinc/75/36/41/570753641.db2.gz DGWXAAQPEGDMIX-UHFFFAOYSA-N 0 1 375.428 3.019 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000032721315 570761527 /nfs/dbraw/zinc/76/15/27/570761527.db2.gz YYOQVJVPZMVTPJ-UHFFFAOYSA-N 0 1 399.472 3.241 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000249083717 570762854 /nfs/dbraw/zinc/76/28/54/570762854.db2.gz DSEIBGKBAISBPI-IRXDYDNUSA-N 0 1 398.425 3.206 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000249133395 570763905 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C[C@H]1Sc2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2NC1=O ZINC000014171735 570826184 /nfs/dbraw/zinc/82/61/84/570826184.db2.gz DNQIYHSHUJTTSB-PBHICJAKSA-N 0 1 381.501 3.124 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cc2NC1=O ZINC000014244959 570837050 /nfs/dbraw/zinc/83/70/50/570837050.db2.gz NAPPJVZTHITOSD-YVEFUNNKSA-N 0 1 387.480 3.291 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1ccc(F)cc1F ZINC000102137453 570841818 /nfs/dbraw/zinc/84/18/18/570841818.db2.gz IZQHDQPHEYCTCF-UHFFFAOYSA-N 0 1 381.404 3.073 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000032843401 570851954 /nfs/dbraw/zinc/85/19/54/570851954.db2.gz DHQXXOSOLCLUNZ-UHFFFAOYSA-N 0 1 387.379 3.386 20 0 GGADMN COc1ccc(C)cc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000102796605 570864221 /nfs/dbraw/zinc/86/42/21/570864221.db2.gz MKQTWSKVAYNZBL-UHFFFAOYSA-N 0 1 389.477 3.112 20 0 GGADMN CN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cn2)CC1 ZINC000012613383 570891008 /nfs/dbraw/zinc/89/10/08/570891008.db2.gz RJGAEQBFIIRJSJ-UHFFFAOYSA-N 0 1 388.899 3.283 20 0 GGADMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccnn3Cc3ccc(F)cc3)ccc2O1 ZINC000097117201 570898037 /nfs/dbraw/zinc/89/80/37/570898037.db2.gz ZEELGLWXKQAESO-CYBMUJFWSA-N 0 1 387.436 3.195 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cnc(C(F)(F)F)nc1)N1CCCC1 ZINC000097165471 570901733 /nfs/dbraw/zinc/90/17/33/570901733.db2.gz MLPCCNYQDIVUCG-HNNXBMFYSA-N 0 1 394.397 3.071 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)[nH]n2)cc1 ZINC000014278906 570904572 /nfs/dbraw/zinc/90/45/72/570904572.db2.gz LNAIPMOGDBQFGW-UHFFFAOYSA-N 0 1 398.488 3.196 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000155201480 570912111 /nfs/dbraw/zinc/91/21/11/570912111.db2.gz SFNRAZVUXPDRGN-CYBMUJFWSA-N 0 1 378.398 3.451 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccnn1C1CCCC1 ZINC000089832512 570916225 /nfs/dbraw/zinc/91/62/25/570916225.db2.gz FSMGROUABOSAOJ-HXUWFJFHSA-N 0 1 382.508 3.210 20 0 GGADMN CC(C)c1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccccn1 ZINC000032913850 570919778 /nfs/dbraw/zinc/91/97/78/570919778.db2.gz KDYGSKBSAABHLG-LJQANCHMSA-N 0 1 389.503 3.395 20 0 GGADMN CCn1c(CN[C@@H](C)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012690183 570949271 /nfs/dbraw/zinc/94/92/71/570949271.db2.gz HECSFFVEOOZGSR-HNNXBMFYSA-N 0 1 386.521 3.157 20 0 GGADMN Cc1cc(NC(=O)c2cnc3c(cnn3C(C)C)c2)ccc1N1CCN(C)CC1 ZINC000012731204 570975549 /nfs/dbraw/zinc/97/55/49/570975549.db2.gz MZTRTCHVQFCBLF-UHFFFAOYSA-N 0 1 392.507 3.325 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012776089 571029020 /nfs/dbraw/zinc/02/90/20/571029020.db2.gz CKFYLTBYCQMJJL-LJQANCHMSA-N 0 1 377.492 3.325 20 0 GGADMN Fc1ccc2c(c1)nccc2N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737667955 598829049 /nfs/dbraw/zinc/82/90/49/598829049.db2.gz STJICJBJOSQBJW-UHFFFAOYSA-N 0 1 389.438 3.271 20 0 GGADMN Fc1ccc2c(c1)nccc2N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737664739 598829482 /nfs/dbraw/zinc/82/94/82/598829482.db2.gz DJFFHVXBBLPFJG-UHFFFAOYSA-N 0 1 393.401 3.020 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N(C)CCc1ccc(Cl)cc1 ZINC000735561365 598832644 /nfs/dbraw/zinc/83/26/44/598832644.db2.gz XUZGVSQGZKEANY-CYBMUJFWSA-N 0 1 384.871 3.022 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000736899445 598863529 /nfs/dbraw/zinc/86/35/29/598863529.db2.gz AFDQPRQBPPECOS-CVAIRZPRSA-N 0 1 391.475 3.267 20 0 GGADMN C[C@H](CC1CCCC1)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735984012 598908378 /nfs/dbraw/zinc/90/83/78/598908378.db2.gz AUZDBHABPKJFDH-QGZVFWFLSA-N 0 1 396.539 3.117 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1OCCSc1nc2ccc(C)cc2[nH]1 ZINC000737032363 598938242 /nfs/dbraw/zinc/93/82/42/598938242.db2.gz KKFBCFFFOWUFJF-UHFFFAOYSA-N 0 1 382.449 3.231 20 0 GGADMN c1csc([C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[NH+]2CCCC2)c1 ZINC000738451018 598955333 /nfs/dbraw/zinc/95/53/33/598955333.db2.gz ALRPTMFSKRFBDL-OAHLLOKOSA-N 0 1 392.492 3.120 20 0 GGADMN c1csc([C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)c1 ZINC000738451018 598955334 /nfs/dbraw/zinc/95/53/34/598955334.db2.gz ALRPTMFSKRFBDL-OAHLLOKOSA-N 0 1 392.492 3.120 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccsc1 ZINC000736534118 598957871 /nfs/dbraw/zinc/95/78/71/598957871.db2.gz MIVFGZKQHWZAEX-INIZCTEOSA-N 0 1 394.508 3.366 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccsc1 ZINC000736534118 598957872 /nfs/dbraw/zinc/95/78/72/598957872.db2.gz MIVFGZKQHWZAEX-INIZCTEOSA-N 0 1 394.508 3.366 20 0 GGADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCCCCCC[NH+]1CCCC1 ZINC000738437278 598962993 /nfs/dbraw/zinc/96/29/93/598962993.db2.gz NNGRYCQMNVKTSD-UHFFFAOYSA-N 0 1 380.500 3.268 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCCCCCC[NH+]1CCCC1 ZINC000738437278 598962995 /nfs/dbraw/zinc/96/29/95/598962995.db2.gz NNGRYCQMNVKTSD-UHFFFAOYSA-N 0 1 380.500 3.268 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736101625 599030619 /nfs/dbraw/zinc/03/06/19/599030619.db2.gz OKKWTHHZRFFGDF-UZLBHIALSA-N 0 1 390.491 3.099 20 0 GGADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(NCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000737636489 599057270 /nfs/dbraw/zinc/05/72/70/599057270.db2.gz UQOZSYBMUJDXHG-UHFFFAOYSA-N 0 1 394.748 3.422 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821596678 599107510 /nfs/dbraw/zinc/10/75/10/599107510.db2.gz RGYXNDLHSZFDKB-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821596678 599107512 /nfs/dbraw/zinc/10/75/12/599107512.db2.gz RGYXNDLHSZFDKB-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596678 599107514 /nfs/dbraw/zinc/10/75/14/599107514.db2.gz RGYXNDLHSZFDKB-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821596678 599107516 /nfs/dbraw/zinc/10/75/16/599107516.db2.gz RGYXNDLHSZFDKB-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737845234 599174225 /nfs/dbraw/zinc/17/42/25/599174225.db2.gz YHMWTLLNQRRGAC-CYBMUJFWSA-N 0 1 398.492 3.176 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737845234 599174226 /nfs/dbraw/zinc/17/42/26/599174226.db2.gz YHMWTLLNQRRGAC-CYBMUJFWSA-N 0 1 398.492 3.176 20 0 GGADMN Cc1[nH]ncc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1 ZINC000822015526 599220596 /nfs/dbraw/zinc/22/05/96/599220596.db2.gz LWLKAUZSCBSYGU-UHFFFAOYSA-N 0 1 379.355 3.082 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818113189 596914646 /nfs/dbraw/zinc/91/46/46/596914646.db2.gz MMFKCGDMOPBVNE-OXJNMPFZSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000818090136 596918509 /nfs/dbraw/zinc/91/85/09/596918509.db2.gz SYCIVZHYCDFWAC-OXQOHEQNSA-N 0 1 381.476 3.488 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000533202696 597072067 /nfs/dbraw/zinc/07/20/67/597072067.db2.gz JXNRMUJYPBGACA-KRWDZBQOSA-N 0 1 384.480 3.004 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000320612049 597075144 /nfs/dbraw/zinc/07/51/44/597075144.db2.gz CSJQSPZQWSXGPO-NSHDSACASA-N 0 1 380.242 3.186 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000314874669 597076067 /nfs/dbraw/zinc/07/60/67/597076067.db2.gz ABHBBNQBVRYKRT-SECBINFHSA-N 0 1 386.271 3.247 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000314874669 597076071 /nfs/dbraw/zinc/07/60/71/597076071.db2.gz ABHBBNQBVRYKRT-SECBINFHSA-N 0 1 386.271 3.247 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000262871645 597217280 /nfs/dbraw/zinc/21/72/80/597217280.db2.gz ACEAQSJSDOIMNJ-INIZCTEOSA-N 0 1 387.505 3.158 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000262871646 597217361 /nfs/dbraw/zinc/21/73/61/597217361.db2.gz ACEAQSJSDOIMNJ-MRXNPFEDSA-N 0 1 387.505 3.158 20 0 GGADMN C[C@@H]1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000818101772 597323101 /nfs/dbraw/zinc/32/31/01/597323101.db2.gz IBSJDOOBTWOYMC-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000819609219 597328201 /nfs/dbraw/zinc/32/82/01/597328201.db2.gz GHQISOLXLXBJPU-UHFFFAOYSA-N 0 1 385.439 3.193 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000819609219 597328207 /nfs/dbraw/zinc/32/82/07/597328207.db2.gz GHQISOLXLXBJPU-UHFFFAOYSA-N 0 1 385.439 3.193 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000818080708 597333079 /nfs/dbraw/zinc/33/30/79/597333079.db2.gz XDFLHPVVEJMICI-UHFFFAOYSA-N 0 1 381.476 3.442 20 0 GGADMN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C(=O)[O-])cc1 ZINC000390899578 597342297 /nfs/dbraw/zinc/34/22/97/597342297.db2.gz SLUPFHILKAJXLG-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C(=O)[O-])cc1 ZINC000390899578 597342299 /nfs/dbraw/zinc/34/22/99/597342299.db2.gz SLUPFHILKAJXLG-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818368870 597412283 /nfs/dbraw/zinc/41/22/83/597412283.db2.gz LJETVZIHPKZGMO-LJQANCHMSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1CN(Cc2cccc(NCc3cccc(-c4nn[nH]n4)c3)c2)C[C@@H](C)O1 ZINC000820759399 607317369 /nfs/dbraw/zinc/31/73/69/607317369.db2.gz KVYQICHVMWEIDB-HZPDHXFCSA-N 0 1 378.480 3.088 20 0 GGADMN Cn1cc(-c2nc([C@@H]3CCCCC[N@@H+]3Cc3ccc(C(=O)[O-])cc3)no2)cn1 ZINC000263428938 597639098 /nfs/dbraw/zinc/63/90/98/597639098.db2.gz RNXITTNPEUZEAJ-KRWDZBQOSA-N 0 1 381.436 3.286 20 0 GGADMN Cn1cc(-c2nc([C@@H]3CCCCC[N@H+]3Cc3ccc(C(=O)[O-])cc3)no2)cn1 ZINC000263428938 597639102 /nfs/dbraw/zinc/63/91/02/597639102.db2.gz RNXITTNPEUZEAJ-KRWDZBQOSA-N 0 1 381.436 3.286 20 0 GGADMN C[C@@H]1CN(Cc2cccc(NCc3cccc(-c4nn[nH]n4)c3)c2)C[C@H](C)O1 ZINC000820759400 607317612 /nfs/dbraw/zinc/31/76/12/607317612.db2.gz KVYQICHVMWEIDB-IYBDPMFKSA-N 0 1 378.480 3.088 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1ccc(Cl)cc1 ZINC000820620982 598140614 /nfs/dbraw/zinc/14/06/14/598140614.db2.gz ZQQDKQAAXIZSGJ-MHVXSEJMSA-N 0 1 379.888 3.028 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1ccc(Cl)cc1 ZINC000820620982 598140615 /nfs/dbraw/zinc/14/06/15/598140615.db2.gz ZQQDKQAAXIZSGJ-MHVXSEJMSA-N 0 1 379.888 3.028 20 0 GGADMN O=C([O-])c1cccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000821552318 598203793 /nfs/dbraw/zinc/20/37/93/598203793.db2.gz IBFJJHATIILMCE-UHFFFAOYSA-N 0 1 387.237 3.018 20 0 GGADMN C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129694 598212296 /nfs/dbraw/zinc/21/22/96/598212296.db2.gz ORWCOYCKKNYTNA-LPHOPBHVSA-N 0 1 381.476 3.346 20 0 GGADMN CC[C@H](c1ccc(Cl)cc1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000736393174 598249605 /nfs/dbraw/zinc/24/96/05/598249605.db2.gz UGVPHNTZXWGUST-QGZVFWFLSA-N 0 1 383.887 3.188 20 0 GGADMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736666516 598283049 /nfs/dbraw/zinc/28/30/49/598283049.db2.gz KFFVOWHXFPDOPJ-UHFFFAOYSA-N 0 1 395.897 3.433 20 0 GGADMN CCc1cccc(C)c1Nc1nnc(Sc2nccnc2-c2nn[nH]n2)s1 ZINC000736699960 598338598 /nfs/dbraw/zinc/33/85/98/598338598.db2.gz QMTKEKXOYRLCDV-UHFFFAOYSA-N 0 1 397.493 3.274 20 0 GGADMN Fc1cccc(Oc2ncccc2CNCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737665665 598493435 /nfs/dbraw/zinc/49/34/35/598493435.db2.gz TZVMAIHIEVQZFX-UHFFFAOYSA-N 0 1 376.395 3.483 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737149706 598526140 /nfs/dbraw/zinc/52/61/40/598526140.db2.gz ZAEZKHAXLHXIHS-OAHLLOKOSA-N 0 1 398.492 3.103 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737149706 598526141 /nfs/dbraw/zinc/52/61/41/598526141.db2.gz ZAEZKHAXLHXIHS-OAHLLOKOSA-N 0 1 398.492 3.103 20 0 GGADMN C[C@@H]1CN(C(C)(C)CNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000736290115 598572691 /nfs/dbraw/zinc/57/26/91/598572691.db2.gz GWTQMNSYMGBIPV-TXEJJXNPSA-N 0 1 398.433 3.185 20 0 GGADMN Clc1cccc(CN2CCCC[C@H]2CNc2ccc(-c3nn[nH]n3)cn2)c1 ZINC000737576072 598593519 /nfs/dbraw/zinc/59/35/19/598593519.db2.gz SZRVTWRMOPRUGP-KRWDZBQOSA-N 0 1 383.887 3.382 20 0 GGADMN O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000738192638 598597016 /nfs/dbraw/zinc/59/70/16/598597016.db2.gz UFNQLOKCJSTUDQ-NRFANRHFSA-N 0 1 398.470 3.206 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736292222 598627182 /nfs/dbraw/zinc/62/71/82/598627182.db2.gz IQPTZDFGHQOSTQ-WHSLLNHNSA-N 0 1 388.475 3.470 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000735560272 598707629 /nfs/dbraw/zinc/70/76/29/598707629.db2.gz DFCBLZOLXSEFNU-ZFWWWQNUSA-N 0 1 396.882 3.337 20 0 GGADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc3ccccc3nc2Cl)c2ccccc12 ZINC000738370687 598720064 /nfs/dbraw/zinc/72/00/64/598720064.db2.gz FQBZDSKJYRGWLU-UHFFFAOYSA-N 0 1 388.818 3.432 20 0 GGADMN C[C@H](OC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736156434 598740222 /nfs/dbraw/zinc/74/02/22/598740222.db2.gz WCATVUDHMPRENR-JTQLQIEISA-N 0 1 382.811 3.243 20 0 GGADMN Cc1ccsc1C(=O)Nc1ccc(Oc2nccnc2-c2nn[nH]n2)cc1 ZINC000737441520 598796116 /nfs/dbraw/zinc/79/61/16/598796116.db2.gz GPXOIBGKGVNFOV-UHFFFAOYSA-N 0 1 379.405 3.071 20 0 GGADMN C[C@@H](c1cc(F)ccc1F)N(C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820556712 599302666 /nfs/dbraw/zinc/30/26/66/599302666.db2.gz VQTOPFXDSJNKKO-LBPRGKRZSA-N 0 1 386.406 3.167 20 0 GGADMN COCCCN1Cc2cccc(N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000736982061 599326462 /nfs/dbraw/zinc/32/64/62/599326462.db2.gz QUOSGDPZCJQWTK-HNNXBMFYSA-N 0 1 378.480 3.392 20 0 GGADMN C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433674 599367594 /nfs/dbraw/zinc/36/75/94/599367594.db2.gz ZZKKKMLUYHYIGM-LLVKDONJSA-N 0 1 378.358 3.054 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nc2ccccc2s1 ZINC000820410042 599386064 /nfs/dbraw/zinc/38/60/64/599386064.db2.gz CFFOCISDBSPMPA-VXGBXAGGSA-N 0 1 393.476 3.154 20 0 GGADMN FC(F)(F)[C@H]1CC([NH2+]Cc2ccc(-c3nn[n-]n3)o2)C[C@H](C(F)(F)F)C1 ZINC000822714944 599399979 /nfs/dbraw/zinc/39/99/79/599399979.db2.gz WVDNIJZOTVHIJS-HTQZYQBOSA-N 0 1 383.296 3.459 20 0 GGADMN C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820249137 599411921 /nfs/dbraw/zinc/41/19/21/599411921.db2.gz SFIMJSPGBBAONK-LLVKDONJSA-N 0 1 376.258 3.333 20 0 GGADMN c1cc(-c2nnn[n-]2)oc1C[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000823788246 599413422 /nfs/dbraw/zinc/41/34/22/599413422.db2.gz VYBPMGGGPBJGIB-UHFFFAOYSA-N 0 1 375.432 3.371 20 0 GGADMN c1cc(-c2nn[n-]n2)oc1C[NH2+]CCc1ccc(OCc2ccccc2)cc1 ZINC000823788246 599413424 /nfs/dbraw/zinc/41/34/24/599413424.db2.gz VYBPMGGGPBJGIB-UHFFFAOYSA-N 0 1 375.432 3.371 20 0 GGADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Sc1ccc(Br)cc1 ZINC000820274300 599433189 /nfs/dbraw/zinc/43/31/89/599433189.db2.gz GQWXFAVKLUGLOB-SNVBAGLBSA-N 0 1 394.298 3.493 20 0 GGADMN Fc1ccc(CN2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)c(Cl)c1 ZINC000822765902 599435230 /nfs/dbraw/zinc/43/52/30/599435230.db2.gz AEJNBTZJQMJVOJ-AWEZNQCLSA-N 0 1 390.850 3.006 20 0 GGADMN C[C@H](NCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC000820438130 599445364 /nfs/dbraw/zinc/44/53/64/599445364.db2.gz JAUPOYZQYZZVOD-HNNXBMFYSA-N 0 1 389.463 3.030 20 0 GGADMN Clc1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)nc1-c1nnn[n-]1 ZINC000822573892 599475620 /nfs/dbraw/zinc/47/56/20/599475620.db2.gz KMUDPFPDTXGYMG-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN Clc1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)nc1-c1nn[n-]n1 ZINC000822573892 599475621 /nfs/dbraw/zinc/47/56/21/599475621.db2.gz KMUDPFPDTXGYMG-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821175041 599509490 /nfs/dbraw/zinc/50/94/90/599509490.db2.gz AQPBBQKRDZJCOI-KXBFYZLASA-N 0 1 378.480 3.127 20 0 GGADMN CCC(CC)[NH2+][C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736346048 599562119 /nfs/dbraw/zinc/56/21/19/599562119.db2.gz PHLXJRHHFMYEOP-LLVKDONJSA-N 0 1 376.530 3.302 20 0 GGADMN CN(CCCCc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821599408 599564422 /nfs/dbraw/zinc/56/44/22/599564422.db2.gz SAFKVVMFIQHTPT-UHFFFAOYSA-N 0 1 389.463 3.371 20 0 GGADMN CCS[C@H]1CCCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000821454964 599575632 /nfs/dbraw/zinc/57/56/32/599575632.db2.gz IAVRVLXMFNEWNU-HNNXBMFYSA-N 0 1 385.497 3.024 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000821446629 599590732 /nfs/dbraw/zinc/59/07/32/599590732.db2.gz BPKLCJKNSJOGTM-CABCVRRESA-N 0 1 385.497 3.023 20 0 GGADMN C[C@@H]1c2c(F)cccc2CCN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000736303140 599591644 /nfs/dbraw/zinc/59/16/44/599591644.db2.gz RYBBDHPHTOVJTI-LLVKDONJSA-N 0 1 386.456 3.015 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738269736 599593262 /nfs/dbraw/zinc/59/32/62/599593262.db2.gz XDLORZKVIZZADF-OAHLLOKOSA-N 0 1 383.402 3.240 20 0 GGADMN CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000820967908 599690864 /nfs/dbraw/zinc/69/08/64/599690864.db2.gz YEVQABFXEBHGLL-CZUORRHYSA-N 0 1 399.543 3.459 20 0 GGADMN CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000820967908 599690865 /nfs/dbraw/zinc/69/08/65/599690865.db2.gz YEVQABFXEBHGLL-CZUORRHYSA-N 0 1 399.543 3.459 20 0 GGADMN CCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000590437724 599702648 /nfs/dbraw/zinc/70/26/48/599702648.db2.gz IZTZGVKQLDJQGM-IBGZPJMESA-N 0 1 381.476 3.297 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000739626029 599709493 /nfs/dbraw/zinc/70/94/93/599709493.db2.gz RKVVCLHNTAOSDJ-SIKLNZKXSA-N 0 1 392.499 3.294 20 0 GGADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000739513969 599711917 /nfs/dbraw/zinc/71/19/17/599711917.db2.gz CEAGCUQCOXRTET-GOSISDBHSA-N 0 1 390.842 3.453 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000248616168 599713263 /nfs/dbraw/zinc/71/32/63/599713263.db2.gz ZQFXGSRVRGOINT-ZMMAXQRCSA-N 0 1 399.516 3.066 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000248616168 599713264 /nfs/dbraw/zinc/71/32/64/599713264.db2.gz ZQFXGSRVRGOINT-ZMMAXQRCSA-N 0 1 399.516 3.066 20 0 GGADMN C[C@H](C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1)C(=O)[O-] ZINC000736577639 599713801 /nfs/dbraw/zinc/71/38/01/599713801.db2.gz FGVMJCAOTZWUJZ-MRXNPFEDSA-N 0 1 386.517 3.246 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1F ZINC000740005693 599716365 /nfs/dbraw/zinc/71/63/65/599716365.db2.gz OXAOPAZHISLENB-UHFFFAOYSA-N 0 1 386.427 3.308 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](c4ccccc4C)C3)nc(=O)c12 ZINC000738766323 599718131 /nfs/dbraw/zinc/71/81/31/599718131.db2.gz DEZPRJMBECHGRP-ZDUSSCGKSA-N 0 1 383.473 3.289 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](c4ccccc4C)C3)nc(=O)c12 ZINC000738766323 599718134 /nfs/dbraw/zinc/71/81/34/599718134.db2.gz DEZPRJMBECHGRP-ZDUSSCGKSA-N 0 1 383.473 3.289 20 0 GGADMN O=C([O-])NCCCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000739960732 599722322 /nfs/dbraw/zinc/72/23/22/599722322.db2.gz ZHCLEDJJRUWLNI-KRWDZBQOSA-N 0 1 387.505 3.012 20 0 GGADMN O=C([O-])NCCCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000739960732 599722324 /nfs/dbraw/zinc/72/23/24/599722324.db2.gz ZHCLEDJJRUWLNI-KRWDZBQOSA-N 0 1 387.505 3.012 20 0 GGADMN CN(CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000737417815 599722900 /nfs/dbraw/zinc/72/29/00/599722900.db2.gz JZRAQZRCFLYPAI-UHFFFAOYSA-N 0 1 395.503 3.310 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)c1C(=O)[O-] ZINC000738769569 599770715 /nfs/dbraw/zinc/77/07/15/599770715.db2.gz DPEJZLIGXZQEOA-SFHVURJKSA-N 0 1 397.519 3.417 20 0 GGADMN Cc1csc(=O)n1CC[N@H+](C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738814431 599770789 /nfs/dbraw/zinc/77/07/89/599770789.db2.gz QUOJIRIWHJGORC-ZDUSSCGKSA-N 0 1 375.277 3.283 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccccc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737407980 599771466 /nfs/dbraw/zinc/77/14/66/599771466.db2.gz HFOKAJLGNARGLK-CXAGYDPISA-N 0 1 384.259 3.491 20 0 GGADMN CC(C)[N@H+]1CCCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC000736475484 599772896 /nfs/dbraw/zinc/77/28/96/599772896.db2.gz WRLKXOAUYYAAPX-UHFFFAOYSA-N 0 1 388.295 3.046 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000477837706 599779699 /nfs/dbraw/zinc/77/96/99/599779699.db2.gz LOKJDMZCHWPBQZ-ULQDDVLXSA-N 0 1 398.425 3.295 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccccc1C(F)(F)F ZINC000739505552 599792636 /nfs/dbraw/zinc/79/26/36/599792636.db2.gz RKTVBUDKKYULFB-MRXNPFEDSA-N 0 1 376.338 3.202 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000738895826 599807815 /nfs/dbraw/zinc/80/78/15/599807815.db2.gz YQMHWEBOLRYCCZ-UHFFFAOYSA-N 0 1 385.342 3.250 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000736789925 599808716 /nfs/dbraw/zinc/80/87/16/599808716.db2.gz RSXDOJFBYYABLE-KRWDZBQOSA-N 0 1 388.508 3.267 20 0 GGADMN CNC(=O)[C@H]1CCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737539672 599812417 /nfs/dbraw/zinc/81/24/17/599812417.db2.gz UBFUBYCTPXRRFD-LJQANCHMSA-N 0 1 389.455 3.310 20 0 GGADMN COCC[N@@H+](CCO)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737798128 599813868 /nfs/dbraw/zinc/81/38/68/599813868.db2.gz FHNNLZVIVYELGP-UHFFFAOYSA-N 0 1 380.444 3.041 20 0 GGADMN COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c2C1 ZINC000737763364 599815454 /nfs/dbraw/zinc/81/54/54/599815454.db2.gz VSNRSHBIIRXGNF-HNNXBMFYSA-N 0 1 399.491 3.365 20 0 GGADMN COCCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c2C1 ZINC000737763364 599815456 /nfs/dbraw/zinc/81/54/56/599815456.db2.gz VSNRSHBIIRXGNF-HNNXBMFYSA-N 0 1 399.491 3.365 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736736019 599815871 /nfs/dbraw/zinc/81/58/71/599815871.db2.gz RWNHNMSFOCXHLA-UHFFFAOYSA-N 0 1 397.475 3.278 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736597830 599823540 /nfs/dbraw/zinc/82/35/40/599823540.db2.gz ASVQHHNKUXTLRH-INIZCTEOSA-N 0 1 381.476 3.272 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000736597891 599823831 /nfs/dbraw/zinc/82/38/31/599823831.db2.gz CPONMXBBQGHRPG-CQSZACIVSA-N 0 1 387.505 3.334 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000736597891 599823833 /nfs/dbraw/zinc/82/38/33/599823833.db2.gz CPONMXBBQGHRPG-CQSZACIVSA-N 0 1 387.505 3.334 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739761408 599829073 /nfs/dbraw/zinc/82/90/73/599829073.db2.gz UZSOFOWCLLQQCW-HXUWFJFHSA-N 0 1 381.476 3.490 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000736474400 599833635 /nfs/dbraw/zinc/83/36/35/599833635.db2.gz MBWMWDUBLVBGTM-HNNXBMFYSA-N 0 1 398.507 3.054 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812947 599838262 /nfs/dbraw/zinc/83/82/62/599838262.db2.gz XMINKDWQVLFPSQ-HOTGVXAUSA-N 0 1 382.460 3.271 20 0 GGADMN CC1CCN(c2nn(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)n2C2CC2)CC1 ZINC000736803494 599840095 /nfs/dbraw/zinc/84/00/95/599840095.db2.gz WMQPRLCUPDELLT-INIZCTEOSA-N 0 1 393.557 3.272 20 0 GGADMN CC1CCN(c2nn(C[N@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)n2C2CC2)CC1 ZINC000736803494 599840096 /nfs/dbraw/zinc/84/00/96/599840096.db2.gz WMQPRLCUPDELLT-INIZCTEOSA-N 0 1 393.557 3.272 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000739639329 599840599 /nfs/dbraw/zinc/84/05/99/599840599.db2.gz KYKZFBNVDLVGGB-HNNXBMFYSA-N 0 1 379.530 3.026 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cn1nc(N2CCCCC2)n(C2CC2)c1=S ZINC000739639329 599840603 /nfs/dbraw/zinc/84/06/03/599840603.db2.gz KYKZFBNVDLVGGB-HNNXBMFYSA-N 0 1 379.530 3.026 20 0 GGADMN COc1ccccc1CC1CC[NH+](CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000738125396 599853575 /nfs/dbraw/zinc/85/35/75/599853575.db2.gz AVCQXUVAXPDRJZ-UHFFFAOYSA-N 0 1 388.489 3.348 20 0 GGADMN COc1ccc(COCC[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC000738010166 599856349 /nfs/dbraw/zinc/85/63/49/599856349.db2.gz BQVOAHPKQIUCNX-KRWDZBQOSA-N 0 1 384.476 3.121 20 0 GGADMN COc1ccc2c(C[N@@H+](CC(=O)[O-])Cc3ccc(F)c(F)c3)cc(=O)oc2c1 ZINC000738072388 599865918 /nfs/dbraw/zinc/86/59/18/599865918.db2.gz IRSMQDSRUNADRU-UHFFFAOYSA-N 0 1 389.354 3.167 20 0 GGADMN CCCO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000737028414 599867253 /nfs/dbraw/zinc/86/72/53/599867253.db2.gz SKZUWVGGANCZPE-ZDUSSCGKSA-N 0 1 380.510 3.155 20 0 GGADMN CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000737028414 599867254 /nfs/dbraw/zinc/86/72/54/599867254.db2.gz SKZUWVGGANCZPE-ZDUSSCGKSA-N 0 1 380.510 3.155 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000738530100 599876076 /nfs/dbraw/zinc/87/60/76/599876076.db2.gz CVRQGGMVKJYTKR-QGZVFWFLSA-N 0 1 382.416 3.198 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000738530100 599876077 /nfs/dbraw/zinc/87/60/77/599876077.db2.gz CVRQGGMVKJYTKR-QGZVFWFLSA-N 0 1 382.416 3.198 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000736582368 599888287 /nfs/dbraw/zinc/88/82/87/599888287.db2.gz GUNMEUABFFUILI-CQSZACIVSA-N 0 1 397.443 3.406 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000736582368 599888289 /nfs/dbraw/zinc/88/82/89/599888289.db2.gz GUNMEUABFFUILI-CQSZACIVSA-N 0 1 397.443 3.406 20 0 GGADMN Cc1sc2nc(C[NH+]3CCCC3)nc(NCCSCC(=O)[O-])c2c1C ZINC000738997871 599894334 /nfs/dbraw/zinc/89/43/34/599894334.db2.gz XUOGCUDXOGVZFQ-UHFFFAOYSA-N 0 1 380.539 3.134 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000737018959 599913720 /nfs/dbraw/zinc/91/37/20/599913720.db2.gz YWTHKSMPHIBEKW-FQEVSTJZSA-N 0 1 382.460 3.411 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2F)CC1 ZINC000236997937 599914329 /nfs/dbraw/zinc/91/43/29/599914329.db2.gz RBNRABNFIYENRI-UHFFFAOYSA-N 0 1 385.439 3.227 20 0 GGADMN C[C@H](C[N@@H+](CN1C(=O)CC2(CCC(C(C)(C)C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736579664 599921711 /nfs/dbraw/zinc/92/17/11/599921711.db2.gz VRPXDUNRUBIJGV-UMRPUCSYSA-N 0 1 378.513 3.111 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(NC(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000736814758 599930612 /nfs/dbraw/zinc/93/06/12/599930612.db2.gz LHMIQVBVPCKXDO-IYBDPMFKSA-N 0 1 397.475 3.316 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)CC2)[nH+]c1 ZINC000738618333 599931637 /nfs/dbraw/zinc/93/16/37/599931637.db2.gz ZPENHVPHSFRPIR-IBGZPJMESA-N 0 1 381.476 3.329 20 0 GGADMN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1)C2=O ZINC000736859566 599935180 /nfs/dbraw/zinc/93/51/80/599935180.db2.gz UTMFFYGYRGAAGG-UMRPUCSYSA-N 0 1 393.528 3.046 20 0 GGADMN CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1)C2=O ZINC000736859566 599935181 /nfs/dbraw/zinc/93/51/81/599935181.db2.gz UTMFFYGYRGAAGG-UMRPUCSYSA-N 0 1 393.528 3.046 20 0 GGADMN C[C@H](C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1)C(=O)[O-] ZINC000574213131 599937466 /nfs/dbraw/zinc/93/74/66/599937466.db2.gz JJSUBSSMUSBIOG-CQSZACIVSA-N 0 1 395.415 3.188 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1cccc(F)c1 ZINC000739498362 599940953 /nfs/dbraw/zinc/94/09/53/599940953.db2.gz LMZBITOITRAUSE-PMACEKPBSA-N 0 1 398.478 3.097 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1)C(=O)[O-] ZINC000736579160 599948727 /nfs/dbraw/zinc/94/87/27/599948727.db2.gz QMWZBXMVTDNBTD-SECBINFHSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000736577902 599950915 /nfs/dbraw/zinc/95/09/15/599950915.db2.gz GRGJJDIKXJMMCT-VIFPVBQESA-N 0 1 376.787 3.065 20 0 GGADMN O=C([O-])CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000739660274 599951971 /nfs/dbraw/zinc/95/19/71/599951971.db2.gz WOZXRBHKVWLGSV-PMACEKPBSA-N 0 1 381.476 3.016 20 0 GGADMN O=C([O-])CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000739660282 599952152 /nfs/dbraw/zinc/95/21/52/599952152.db2.gz WOZXRBHKVWLGSV-VQTJNVASSA-N 0 1 381.476 3.016 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000738987053 599953241 /nfs/dbraw/zinc/95/32/41/599953241.db2.gz LLMIAIPPXGZZDN-LBPRGKRZSA-N 0 1 382.420 3.385 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000738855310 599954947 /nfs/dbraw/zinc/95/49/47/599954947.db2.gz RVKZFMVOLOCBJI-UHFFFAOYSA-N 0 1 387.505 3.020 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCCN(c4cccnn4)CC3)cs2)cc1 ZINC000740098197 599957881 /nfs/dbraw/zinc/95/78/81/599957881.db2.gz NGVCYVJFDQOQPM-UHFFFAOYSA-N 0 1 395.488 3.011 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCCN(c4cccnn4)CC3)cs2)cc1 ZINC000740098197 599957883 /nfs/dbraw/zinc/95/78/83/599957883.db2.gz NGVCYVJFDQOQPM-UHFFFAOYSA-N 0 1 395.488 3.011 20 0 GGADMN CCOCC[N@H+]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000737177767 599961420 /nfs/dbraw/zinc/96/14/20/599961420.db2.gz SEDBVPVAMFRAFP-HNNXBMFYSA-N 0 1 389.521 3.051 20 0 GGADMN CCOCC[N@H+]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000737177768 599961430 /nfs/dbraw/zinc/96/14/30/599961430.db2.gz SEDBVPVAMFRAFP-OAHLLOKOSA-N 0 1 389.521 3.051 20 0 GGADMN CCOCC[N@H+]1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H]1C ZINC000737176543 599961687 /nfs/dbraw/zinc/96/16/87/599961687.db2.gz FSRMBNQNDLWUCT-CYBMUJFWSA-N 0 1 380.485 3.281 20 0 GGADMN CCOCCN1CC[N@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H]1C ZINC000737176543 599961690 /nfs/dbraw/zinc/96/16/90/599961690.db2.gz FSRMBNQNDLWUCT-CYBMUJFWSA-N 0 1 380.485 3.281 20 0 GGADMN CCOCCN1CC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H]1C ZINC000737176543 599961693 /nfs/dbraw/zinc/96/16/93/599961693.db2.gz FSRMBNQNDLWUCT-CYBMUJFWSA-N 0 1 380.485 3.281 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000740221600 599963989 /nfs/dbraw/zinc/96/39/89/599963989.db2.gz VFCJWJQWYMYNBY-UHFFFAOYSA-N 0 1 382.229 3.281 20 0 GGADMN O=C([O-])c1cccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000740221600 599963991 /nfs/dbraw/zinc/96/39/91/599963991.db2.gz VFCJWJQWYMYNBY-UHFFFAOYSA-N 0 1 382.229 3.281 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000738518857 599964147 /nfs/dbraw/zinc/96/41/47/599964147.db2.gz PFBKWHRSVACSAP-MRXNPFEDSA-N 0 1 375.513 3.072 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000738518857 599964149 /nfs/dbraw/zinc/96/41/49/599964149.db2.gz PFBKWHRSVACSAP-MRXNPFEDSA-N 0 1 375.513 3.072 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cs2)cc1 ZINC000740098211 599969755 /nfs/dbraw/zinc/96/97/55/599969755.db2.gz NVRZFIQONPWGJI-AWEZNQCLSA-N 0 1 383.477 3.012 20 0 GGADMN Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)n1 ZINC000738369697 599972132 /nfs/dbraw/zinc/97/21/32/599972132.db2.gz PPMQOXCILITWPS-HNNXBMFYSA-N 0 1 385.489 3.314 20 0 GGADMN Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)n1 ZINC000738369697 599972134 /nfs/dbraw/zinc/97/21/34/599972134.db2.gz PPMQOXCILITWPS-HNNXBMFYSA-N 0 1 385.489 3.314 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516821 599973722 /nfs/dbraw/zinc/97/37/22/599973722.db2.gz BLIREULDVJYPRE-CRAIPNDOSA-N 0 1 384.480 3.208 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516821 599973725 /nfs/dbraw/zinc/97/37/25/599973725.db2.gz BLIREULDVJYPRE-CRAIPNDOSA-N 0 1 384.480 3.208 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738376343 599974050 /nfs/dbraw/zinc/97/40/50/599974050.db2.gz WTELLMHGLLQKID-AWEZNQCLSA-N 0 1 390.509 3.189 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738376343 599974053 /nfs/dbraw/zinc/97/40/53/599974053.db2.gz WTELLMHGLLQKID-AWEZNQCLSA-N 0 1 390.509 3.189 20 0 GGADMN Cc1cc(C)n([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370800 599976480 /nfs/dbraw/zinc/97/64/80/599976480.db2.gz UOBVVFSGYSBLIT-AEFFLSMTSA-N 0 1 384.480 3.171 20 0 GGADMN Cc1cc(C)n([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370800 599976482 /nfs/dbraw/zinc/97/64/82/599976482.db2.gz UOBVVFSGYSBLIT-AEFFLSMTSA-N 0 1 384.480 3.171 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC000738075096 599978578 /nfs/dbraw/zinc/97/85/78/599978578.db2.gz XEAPCXIGMFGNBP-OAHLLOKOSA-N 0 1 382.460 3.477 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC000738075096 599978579 /nfs/dbraw/zinc/97/85/79/599978579.db2.gz XEAPCXIGMFGNBP-OAHLLOKOSA-N 0 1 382.460 3.477 20 0 GGADMN CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000737067313 599980340 /nfs/dbraw/zinc/98/03/40/599980340.db2.gz JMVWRANOVNMWKA-INIZCTEOSA-N 0 1 384.476 3.309 20 0 GGADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000737470958 599988155 /nfs/dbraw/zinc/98/81/55/599988155.db2.gz SMCNGKKPFOSMQC-HXUWFJFHSA-N 0 1 395.503 3.091 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127453 599992941 /nfs/dbraw/zinc/99/29/41/599992941.db2.gz KMNUJKAFPOLPFH-FXAWDEMLSA-N 0 1 385.460 3.360 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccnc1Cl)CC2 ZINC000737905224 599993698 /nfs/dbraw/zinc/99/36/98/599993698.db2.gz HWQTYJPUUHMXMG-HNNXBMFYSA-N 0 1 376.840 3.326 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccnc1Cl)CC2 ZINC000737905224 599993699 /nfs/dbraw/zinc/99/36/99/599993699.db2.gz HWQTYJPUUHMXMG-HNNXBMFYSA-N 0 1 376.840 3.326 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000739272859 600005131 /nfs/dbraw/zinc/00/51/31/600005131.db2.gz GDSBQAHRFCACQY-HONMWMINSA-N 0 1 377.441 3.092 20 0 GGADMN Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C(=O)[O-] ZINC000738441260 600012780 /nfs/dbraw/zinc/01/27/80/600012780.db2.gz PQWIKFQMFDETKG-GOSISDBHSA-N 0 1 381.476 3.379 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000738442781 600016159 /nfs/dbraw/zinc/01/61/59/600016159.db2.gz RNZDSCCSBLSZIR-QGZVFWFLSA-N 0 1 396.491 3.025 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736755188 600018309 /nfs/dbraw/zinc/01/83/09/600018309.db2.gz KXDSGLODVSGHIR-XHSDSOJGSA-N 0 1 393.553 3.492 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736796118 600018688 /nfs/dbraw/zinc/01/86/88/600018688.db2.gz XCWVUQCPOHAMJJ-LSDHHAIUSA-N 0 1 379.526 3.246 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736796113 600018903 /nfs/dbraw/zinc/01/89/03/600018903.db2.gz XCWVUQCPOHAMJJ-GJZGRUSLSA-N 0 1 379.526 3.246 20 0 GGADMN Cc1oc(CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1C(=O)[O-] ZINC000738966670 600019482 /nfs/dbraw/zinc/01/94/82/600019482.db2.gz BKOPUHREVPOHNL-QGZVFWFLSA-N 0 1 391.512 3.472 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736262256 600019531 /nfs/dbraw/zinc/01/95/31/600019531.db2.gz WNOZXMZZWRYVPQ-UHFFFAOYSA-N 0 1 379.526 3.343 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C2 ZINC000740201857 600019761 /nfs/dbraw/zinc/01/97/61/600019761.db2.gz FYQJOWYLYKRCHM-HXUWFJFHSA-N 0 1 385.508 3.455 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000740203508 600021167 /nfs/dbraw/zinc/02/11/67/600021167.db2.gz NYBZVJWMRWGQBB-SFHVURJKSA-N 0 1 393.487 3.322 20 0 GGADMN O=C([O-])CSCc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000739873312 600022541 /nfs/dbraw/zinc/02/25/41/600022541.db2.gz OVIKQLQQLBHCKE-IBGZPJMESA-N 0 1 399.516 3.400 20 0 GGADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670999 600036283 /nfs/dbraw/zinc/03/62/83/600036283.db2.gz PEKUNUSJTGUSRG-TZIWHRDSSA-N 0 1 378.472 3.460 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)C[C@@H](C)O1 ZINC000736808082 600043010 /nfs/dbraw/zinc/04/30/10/600043010.db2.gz IRCSYWOYWCWAOW-HZPDHXFCSA-N 0 1 394.471 3.150 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cn1 ZINC000597659807 600047011 /nfs/dbraw/zinc/04/70/11/600047011.db2.gz FLAMHTMVKMAURH-KRWDZBQOSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cn1 ZINC000597659807 600047016 /nfs/dbraw/zinc/04/70/16/600047016.db2.gz FLAMHTMVKMAURH-KRWDZBQOSA-N 0 1 387.867 3.218 20 0 GGADMN CN(C)C(=O)C[N@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737385352 600048534 /nfs/dbraw/zinc/04/85/34/600048534.db2.gz AVLNZMOGDJYECB-UHFFFAOYSA-N 0 1 377.444 3.120 20 0 GGADMN CN(C)C(=O)C[N@@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737385352 600048536 /nfs/dbraw/zinc/04/85/36/600048536.db2.gz AVLNZMOGDJYECB-UHFFFAOYSA-N 0 1 377.444 3.120 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)CC2)cs1 ZINC000738855931 600061028 /nfs/dbraw/zinc/06/10/28/600061028.db2.gz ZIGZPFDJGDQMQC-HNNXBMFYSA-N 0 1 393.534 3.057 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)cs1 ZINC000738853953 600061146 /nfs/dbraw/zinc/06/11/46/600061146.db2.gz AQJDZYZSGZBKIK-UHFFFAOYSA-N 0 1 377.441 3.140 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)cs1 ZINC000738854133 600061156 /nfs/dbraw/zinc/06/11/56/600061156.db2.gz FVUXHAAVSYRGAO-UHFFFAOYSA-N 0 1 377.441 3.140 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000740122428 600061437 /nfs/dbraw/zinc/06/14/37/600061437.db2.gz DDZAYQAFQPFZIN-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000740122428 600061439 /nfs/dbraw/zinc/06/14/39/600061439.db2.gz DDZAYQAFQPFZIN-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000739256971 600066818 /nfs/dbraw/zinc/06/68/18/600066818.db2.gz UELAIZRWOBJQNX-KRWDZBQOSA-N 0 1 386.517 3.407 20 0 GGADMN CCc1[nH]c(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)c(C)c1C(=O)[O-] ZINC000737240017 600074131 /nfs/dbraw/zinc/07/41/31/600074131.db2.gz DRRXTYRSRGERNH-QGZVFWFLSA-N 0 1 398.507 3.105 20 0 GGADMN Cc1oc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000738977249 600077498 /nfs/dbraw/zinc/07/74/98/600077498.db2.gz BDTGLNJQVNUBDB-CQSZACIVSA-N 0 1 389.427 3.459 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(Cn3ncc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC000738093543 600078936 /nfs/dbraw/zinc/07/89/36/600078936.db2.gz XCPNEGMEGJKRKW-INIZCTEOSA-N 0 1 394.475 3.079 20 0 GGADMN C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791170 600082097 /nfs/dbraw/zinc/08/20/97/600082097.db2.gz UWRULCZMOYIETE-GNAXCBTBSA-N 0 1 383.444 3.182 20 0 GGADMN C/C=C/c1ccc(OC[C@H](O)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791170 600082098 /nfs/dbraw/zinc/08/20/98/600082098.db2.gz UWRULCZMOYIETE-GNAXCBTBSA-N 0 1 383.444 3.182 20 0 GGADMN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)cc1C(=O)[O-] ZINC000737396493 600082764 /nfs/dbraw/zinc/08/27/64/600082764.db2.gz FTEPEDGXSPDQJC-UHFFFAOYSA-N 0 1 395.228 3.357 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)cc1C(=O)[O-] ZINC000737396493 600082768 /nfs/dbraw/zinc/08/27/68/600082768.db2.gz FTEPEDGXSPDQJC-UHFFFAOYSA-N 0 1 395.228 3.357 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000659790577 600085985 /nfs/dbraw/zinc/08/59/85/600085985.db2.gz BLNXPONTACBFKG-INIZCTEOSA-N 0 1 381.350 3.159 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C2 ZINC000659790577 600085989 /nfs/dbraw/zinc/08/59/89/600085989.db2.gz BLNXPONTACBFKG-INIZCTEOSA-N 0 1 381.350 3.159 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000740077713 600086797 /nfs/dbraw/zinc/08/67/97/600086797.db2.gz HFKIOJFDESHFIQ-ZDUSSCGKSA-N 0 1 391.830 3.423 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000740077712 600086887 /nfs/dbraw/zinc/08/68/87/600086887.db2.gz HFKIOJFDESHFIQ-CYBMUJFWSA-N 0 1 391.830 3.423 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650505163 600086963 /nfs/dbraw/zinc/08/69/63/600086963.db2.gz TVLIATQLFSRJLG-GOSISDBHSA-N 0 1 384.480 3.147 20 0 GGADMN CC(=O)c1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000736193228 600089171 /nfs/dbraw/zinc/08/91/71/600089171.db2.gz SKKWWAGKWXMDTH-UHFFFAOYSA-N 0 1 388.851 3.458 20 0 GGADMN CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C(c1ccccc1)c1ccccc1 ZINC000737068457 600091784 /nfs/dbraw/zinc/09/17/84/600091784.db2.gz QUSZFPKUZBEFBO-UHFFFAOYSA-N 0 1 380.488 3.421 20 0 GGADMN Cc1nc([C@@H]2CCC[N@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)sc1C ZINC000738851454 600092463 /nfs/dbraw/zinc/09/24/63/600092463.db2.gz ZEZHUAFVMUOFIQ-CQSZACIVSA-N 0 1 398.488 3.487 20 0 GGADMN Cc1nc([C@@H]2CCC[N@@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)sc1C ZINC000738851454 600092466 /nfs/dbraw/zinc/09/24/66/600092466.db2.gz ZEZHUAFVMUOFIQ-CQSZACIVSA-N 0 1 398.488 3.487 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C)c1C(=O)[O-] ZINC000738233431 600098263 /nfs/dbraw/zinc/09/82/63/600098263.db2.gz NPUSDGZQRRQKGU-UHFFFAOYSA-N 0 1 394.475 3.467 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C)c1C(=O)[O-] ZINC000738233431 600098267 /nfs/dbraw/zinc/09/82/67/600098267.db2.gz NPUSDGZQRRQKGU-UHFFFAOYSA-N 0 1 394.475 3.467 20 0 GGADMN C[C@H](OC[C@H](O)C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790582 600110116 /nfs/dbraw/zinc/11/01/16/600110116.db2.gz BOMINWAXENEXOW-ORAYPTAESA-N 0 1 375.852 3.493 20 0 GGADMN C[C@H](OC[C@H](O)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790582 600110119 /nfs/dbraw/zinc/11/01/19/600110119.db2.gz BOMINWAXENEXOW-ORAYPTAESA-N 0 1 375.852 3.493 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738237333 600120118 /nfs/dbraw/zinc/12/01/18/600120118.db2.gz UOMQYXMKZBPQQD-HNNXBMFYSA-N 0 1 397.475 3.252 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000739754498 600124410 /nfs/dbraw/zinc/12/44/10/600124410.db2.gz SWQKEEDIHMRJHB-DLBZAZTESA-N 0 1 377.510 3.143 20 0 GGADMN CC[C@]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000736915049 600129357 /nfs/dbraw/zinc/12/93/57/600129357.db2.gz BRLIVIMEWFXLDH-JOCHJYFZSA-N 0 1 381.476 3.205 20 0 GGADMN Cc1nc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)sc1Cc1ccc(C)cc1 ZINC000455640623 600130023 /nfs/dbraw/zinc/13/00/23/600130023.db2.gz JXEPCYYFFTYQGE-MRXNPFEDSA-N 0 1 387.505 3.086 20 0 GGADMN Cc1nc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)sc1Cc1ccc(C)cc1 ZINC000455640623 600130025 /nfs/dbraw/zinc/13/00/25/600130025.db2.gz JXEPCYYFFTYQGE-MRXNPFEDSA-N 0 1 387.505 3.086 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000463350054 600130101 /nfs/dbraw/zinc/13/01/01/600130101.db2.gz IKVGNXIHGYJIRU-QGZVFWFLSA-N 0 1 379.460 3.116 20 0 GGADMN CC[C@]([NH2+]CC(=O)Nc1ccc(Br)cc1)(C(=O)[O-])c1ccccc1 ZINC000736916546 600131194 /nfs/dbraw/zinc/13/11/94/600131194.db2.gz JWCVELUNYONWNW-GOSISDBHSA-N 0 1 391.265 3.367 20 0 GGADMN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737517490 600133279 /nfs/dbraw/zinc/13/32/79/600133279.db2.gz JMUUVEZZHJGTPK-INIZCTEOSA-N 0 1 387.549 3.201 20 0 GGADMN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737517490 600133282 /nfs/dbraw/zinc/13/32/82/600133282.db2.gz JMUUVEZZHJGTPK-INIZCTEOSA-N 0 1 387.549 3.201 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262701505 600134330 /nfs/dbraw/zinc/13/43/30/600134330.db2.gz ZDLMSPAISROUDR-FUHWJXTLSA-N 0 1 382.460 3.389 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000164620334 600137462 /nfs/dbraw/zinc/13/74/62/600137462.db2.gz ZCGJKOJYKYGUBX-QGZVFWFLSA-N 0 1 376.472 3.284 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000738530511 600143156 /nfs/dbraw/zinc/14/31/56/600143156.db2.gz DCVIBMMUYRSJCH-UHFFFAOYSA-N 0 1 392.459 3.388 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736571688 600143481 /nfs/dbraw/zinc/14/34/81/600143481.db2.gz MTAVTAFCSNDXPU-KKSFZXQISA-N 0 1 393.487 3.015 20 0 GGADMN CCC[C@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736964281 600154428 /nfs/dbraw/zinc/15/44/28/600154428.db2.gz MJWXQIWCPPHLNF-KUHUBIRLSA-N 0 1 389.477 3.252 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738532169 600156332 /nfs/dbraw/zinc/15/63/32/600156332.db2.gz DSPBDVDACMLOTN-GOSISDBHSA-N 0 1 381.476 3.379 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554810 600161538 /nfs/dbraw/zinc/16/15/38/600161538.db2.gz VAFJNBBTWUCTEC-FPOVZHCZSA-N 0 1 398.478 3.331 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H](C)C1 ZINC000737166708 600180649 /nfs/dbraw/zinc/18/06/49/600180649.db2.gz JLPAROXUISLXFH-CXAGYDPISA-N 0 1 397.903 3.297 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)[C@H](C)C1 ZINC000737168779 600183439 /nfs/dbraw/zinc/18/34/39/600183439.db2.gz WQVQMUYKUVWLIC-CZUORRHYSA-N 0 1 396.463 3.174 20 0 GGADMN CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313534 600193557 /nfs/dbraw/zinc/19/35/57/600193557.db2.gz KTWBRBYHQBJMPX-QUCCMNQESA-N 0 1 384.451 3.322 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCc1nc2ccccc2n1C ZINC000736826956 600208590 /nfs/dbraw/zinc/20/85/90/600208590.db2.gz YDLKSIAYELLFPF-INIZCTEOSA-N 0 1 378.476 3.025 20 0 GGADMN O=C([O-])C[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1ccccc1 ZINC000739784443 600209068 /nfs/dbraw/zinc/20/90/68/600209068.db2.gz CKQRYCNLIYCDLZ-UHFFFAOYSA-N 0 1 391.265 3.365 20 0 GGADMN C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737407571 600212445 /nfs/dbraw/zinc/21/24/45/600212445.db2.gz BZEUVLVQSNJPBD-YOEHRIQHSA-N 0 1 384.259 3.491 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000736216053 600217096 /nfs/dbraw/zinc/21/70/96/600217096.db2.gz UBBKGIISLICTCX-OAHLLOKOSA-N 0 1 384.451 3.408 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000736216052 600217304 /nfs/dbraw/zinc/21/73/04/600217304.db2.gz UBBKGIISLICTCX-HNNXBMFYSA-N 0 1 384.451 3.408 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582539 600218503 /nfs/dbraw/zinc/21/85/03/600218503.db2.gz KJHKRYLPUPDYIU-RTBURBONSA-N 0 1 395.459 3.018 20 0 GGADMN Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582539 600218505 /nfs/dbraw/zinc/21/85/05/600218505.db2.gz KJHKRYLPUPDYIU-RTBURBONSA-N 0 1 395.459 3.018 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736941403 600233309 /nfs/dbraw/zinc/23/33/09/600233309.db2.gz MAAOMMZMAWWUOD-KRWDZBQOSA-N 0 1 379.526 3.390 20 0 GGADMN C[C@@H](c1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000736717733 600251760 /nfs/dbraw/zinc/25/17/60/600251760.db2.gz OMZZZHCKWCQSJP-INIZCTEOSA-N 0 1 382.460 3.349 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000565366072 600262138 /nfs/dbraw/zinc/26/21/38/600262138.db2.gz NDZICDOUGBSKLB-RDTXWAMCSA-N 0 1 377.868 3.341 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736765220 600263954 /nfs/dbraw/zinc/26/39/54/600263954.db2.gz ZNXGFOJXIHDBNR-YOEHRIQHSA-N 0 1 385.439 3.410 20 0 GGADMN CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000736457220 600267541 /nfs/dbraw/zinc/26/75/41/600267541.db2.gz DLKCSMKOYZQBFS-UHFFFAOYSA-N 0 1 393.487 3.496 20 0 GGADMN Cc1ccc(OC2CC[NH+](CC(=O)N(C)c3ccccc3C(=O)[O-])CC2)cc1 ZINC000738639428 600268481 /nfs/dbraw/zinc/26/84/81/600268481.db2.gz PLZFEDOVCWTINP-UHFFFAOYSA-N 0 1 382.460 3.199 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000737284226 600271931 /nfs/dbraw/zinc/27/19/31/600271931.db2.gz FJJZWPFWJRCPRL-GJZGRUSLSA-N 0 1 387.505 3.488 20 0 GGADMN Cc1[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c1C(=O)[O-] ZINC000738156011 600271955 /nfs/dbraw/zinc/27/19/55/600271955.db2.gz OJTTWYCFVWJLOZ-AYHJJNSGSA-N 0 1 381.476 3.255 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000737284192 600277342 /nfs/dbraw/zinc/27/73/42/600277342.db2.gz DVBAVNHXOSTAHI-MRXNPFEDSA-N 0 1 386.452 3.168 20 0 GGADMN Cc1cccc(OCc2nn(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)c(=S)o2)c1 ZINC000738738213 600279550 /nfs/dbraw/zinc/27/95/50/600279550.db2.gz YBISYVIREWUOSG-OAHLLOKOSA-N 0 1 389.477 3.237 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2Cl)nn1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000738827745 600280346 /nfs/dbraw/zinc/28/03/46/600280346.db2.gz PABWFIBHBOWKFD-JTQLQIEISA-N 0 1 399.676 3.033 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2Cl)nn1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000738827749 600280527 /nfs/dbraw/zinc/28/05/27/600280527.db2.gz PABWFIBHBOWKFD-SNVBAGLBSA-N 0 1 399.676 3.033 20 0 GGADMN Cc1ccc2oc(=O)n(C[N@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)c2c1 ZINC000738677144 600280618 /nfs/dbraw/zinc/28/06/18/600280618.db2.gz MHTGKFZFUPVQEE-UHFFFAOYSA-N 0 1 376.359 3.116 20 0 GGADMN Cc1ccc2oc(=O)n(C[N@@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)c2c1 ZINC000738677144 600280620 /nfs/dbraw/zinc/28/06/20/600280620.db2.gz MHTGKFZFUPVQEE-UHFFFAOYSA-N 0 1 376.359 3.116 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000739720165 600281465 /nfs/dbraw/zinc/28/14/65/600281465.db2.gz JZKSPPJTDZZYLX-UHFFFAOYSA-N 0 1 396.777 3.461 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000739720165 600281467 /nfs/dbraw/zinc/28/14/67/600281467.db2.gz JZKSPPJTDZZYLX-UHFFFAOYSA-N 0 1 396.777 3.461 20 0 GGADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736811462 600282299 /nfs/dbraw/zinc/28/22/99/600282299.db2.gz ZBFBBCOVEZBOEL-TXEJJXNPSA-N 0 1 383.876 3.048 20 0 GGADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736811462 600282300 /nfs/dbraw/zinc/28/23/00/600282300.db2.gz ZBFBBCOVEZBOEL-TXEJJXNPSA-N 0 1 383.876 3.048 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cn1c(C3CC3)nn(-c3ccccc3)c1=S)CC2 ZINC000739537750 600282710 /nfs/dbraw/zinc/28/27/10/600282710.db2.gz ZQRMCSKNJLWOHJ-MRXNPFEDSA-N 0 1 384.505 3.425 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000736790140 600285916 /nfs/dbraw/zinc/28/59/16/600285916.db2.gz UHIGXIWIHSALJY-HOTGVXAUSA-N 0 1 398.507 3.120 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000739404897 600285979 /nfs/dbraw/zinc/28/59/79/600285979.db2.gz OUXPSYSKSUTDMO-UHFFFAOYSA-N 0 1 395.887 3.195 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000736790143 600286058 /nfs/dbraw/zinc/28/60/58/600286058.db2.gz UHIGXIWIHSALJY-JKSUJKDBSA-N 0 1 398.507 3.120 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738237822 600286482 /nfs/dbraw/zinc/28/64/82/600286482.db2.gz XJKUDKYEXDHZMP-JLSDUUJJSA-N 0 1 389.540 3.487 20 0 GGADMN Cc1[nH]c(C(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738152784 600286493 /nfs/dbraw/zinc/28/64/93/600286493.db2.gz HNOPWYYXIROKQG-WMLDXEAASA-N 0 1 375.513 3.099 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000738530516 600286874 /nfs/dbraw/zinc/28/68/74/600286874.db2.gz DHGSJYOSRNGZFV-MSOLQXFVSA-N 0 1 387.524 3.218 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738237820 600286924 /nfs/dbraw/zinc/28/69/24/600286924.db2.gz XJKUDKYEXDHZMP-FHLIZLRMSA-N 0 1 389.540 3.487 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000740073943 600287531 /nfs/dbraw/zinc/28/75/31/600287531.db2.gz AUTGEPHJRZGPRL-UHFFFAOYSA-N 0 1 393.896 3.492 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2 ZINC000566357819 600287902 /nfs/dbraw/zinc/28/79/02/600287902.db2.gz MXJPTKCECYBMHQ-ZDUSSCGKSA-N 0 1 381.354 3.442 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@H]4CC(=O)[O-])nc(N)c32)C1 ZINC000736803505 600292286 /nfs/dbraw/zinc/29/22/86/600292286.db2.gz WQHGSRYOJBZIMJ-OLZOCXBDSA-N 0 1 388.537 3.270 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736942203 600295610 /nfs/dbraw/zinc/29/56/10/600295610.db2.gz RKFUZULMKHQRID-INIZCTEOSA-N 0 1 398.507 3.198 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738902121 600295980 /nfs/dbraw/zinc/29/59/80/600295980.db2.gz HKHKOCIMJAYSBD-FUHWJXTLSA-N 0 1 396.491 3.003 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738902129 600296044 /nfs/dbraw/zinc/29/60/44/600296044.db2.gz HKHKOCIMJAYSBD-WMZOPIPTSA-N 0 1 396.491 3.003 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738902115 600296135 /nfs/dbraw/zinc/29/61/35/600296135.db2.gz HKHKOCIMJAYSBD-AEFFLSMTSA-N 0 1 396.491 3.003 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC2 ZINC000739277697 600296395 /nfs/dbraw/zinc/29/63/95/600296395.db2.gz GNEJWSRNNCMBSS-HXUWFJFHSA-N 0 1 394.471 3.391 20 0 GGADMN CC[C@]([NH2+]CC(=O)N(Cc1ccc(C)cc1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000736918868 600304189 /nfs/dbraw/zinc/30/41/89/600304189.db2.gz BQQWRYXEDMTFIQ-HSZRJFAPSA-N 0 1 380.488 3.466 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200987 600305840 /nfs/dbraw/zinc/30/58/40/600305840.db2.gz TXCDJHVMGJZJOH-HOCLYGCPSA-N 0 1 391.537 3.384 20 0 GGADMN C[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737393538 600309061 /nfs/dbraw/zinc/30/90/61/600309061.db2.gz BKGBCGTZNNDLHD-GOSISDBHSA-N 0 1 393.487 3.211 20 0 GGADMN C[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737393538 600309064 /nfs/dbraw/zinc/30/90/64/600309064.db2.gz BKGBCGTZNNDLHD-GOSISDBHSA-N 0 1 393.487 3.211 20 0 GGADMN CN(CC1CCCCC1)C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737408763 600326770 /nfs/dbraw/zinc/32/67/70/600326770.db2.gz BAJVJUKLUQYGCY-UHFFFAOYSA-N 0 1 382.451 3.280 20 0 GGADMN CN(CC1CCCCC1)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737408763 600326773 /nfs/dbraw/zinc/32/67/73/600326773.db2.gz BAJVJUKLUQYGCY-UHFFFAOYSA-N 0 1 382.451 3.280 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000739717109 600326822 /nfs/dbraw/zinc/32/68/22/600326822.db2.gz GONWEAKTAAAXPD-LPHOPBHVSA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000739717109 600326825 /nfs/dbraw/zinc/32/68/25/600326825.db2.gz GONWEAKTAAAXPD-LPHOPBHVSA-N 0 1 394.462 3.423 20 0 GGADMN C[C@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1cccs1 ZINC000736639629 600327159 /nfs/dbraw/zinc/32/71/59/600327159.db2.gz CXLRUIBJRKVMJB-LBPRGKRZSA-N 0 1 382.432 3.180 20 0 GGADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1cccs1 ZINC000736639629 600327161 /nfs/dbraw/zinc/32/71/61/600327161.db2.gz CXLRUIBJRKVMJB-LBPRGKRZSA-N 0 1 382.432 3.180 20 0 GGADMN O=C([O-])CC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)c(F)c1 ZINC000739724004 600327630 /nfs/dbraw/zinc/32/76/30/600327630.db2.gz CMKYZXSQAHKZSQ-UHFFFAOYSA-N 0 1 387.386 3.133 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000739719260 600327924 /nfs/dbraw/zinc/32/79/24/600327924.db2.gz SLCFEEWBQUPAEA-UHFFFAOYSA-N 0 1 384.329 3.158 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1 ZINC000739719260 600327927 /nfs/dbraw/zinc/32/79/27/600327927.db2.gz SLCFEEWBQUPAEA-UHFFFAOYSA-N 0 1 384.329 3.158 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(F)c(F)c1 ZINC000739718804 600328416 /nfs/dbraw/zinc/32/84/16/600328416.db2.gz NBAHNZAQCKMGMC-UHFFFAOYSA-N 0 1 388.414 3.369 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(F)c(F)c1 ZINC000739718804 600328418 /nfs/dbraw/zinc/32/84/18/600328418.db2.gz NBAHNZAQCKMGMC-UHFFFAOYSA-N 0 1 388.414 3.369 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)NC1CCCCCCC1)Cc1ccc(F)c(F)c1 ZINC000739719531 600329347 /nfs/dbraw/zinc/32/93/47/600329347.db2.gz WXUSMVCCYZEGBX-UHFFFAOYSA-N 0 1 382.451 3.471 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)NC1CCCCCCC1)Cc1ccc(F)c(F)c1 ZINC000739719531 600329348 /nfs/dbraw/zinc/32/93/48/600329348.db2.gz WXUSMVCCYZEGBX-UHFFFAOYSA-N 0 1 382.451 3.471 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccc(Br)s3)o1)CC2 ZINC000405290672 600332709 /nfs/dbraw/zinc/33/27/09/600332709.db2.gz JKKTWZSLCAXMPB-VIFPVBQESA-N 0 1 398.282 3.247 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CN3CCCC3=O)cs2)cc1 ZINC000740096805 600333766 /nfs/dbraw/zinc/33/37/66/600333766.db2.gz FDZNJVHPENHXPT-SFHVURJKSA-N 0 1 399.516 3.485 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CN3CCCC3=O)cs2)cc1 ZINC000740096805 600333768 /nfs/dbraw/zinc/33/37/68/600333768.db2.gz FDZNJVHPENHXPT-SFHVURJKSA-N 0 1 399.516 3.485 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000739273336 600335145 /nfs/dbraw/zinc/33/51/45/600335145.db2.gz INQOIQPDGKSZNY-UHFFFAOYSA-N 0 1 389.279 3.257 20 0 GGADMN O=C([O-])c1sc2cccc(F)c2c1C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000738712307 600335220 /nfs/dbraw/zinc/33/52/20/600335220.db2.gz BQKBFWDAMNDVEH-LBPRGKRZSA-N 0 1 376.453 3.325 20 0 GGADMN Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NCc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738872611 600337487 /nfs/dbraw/zinc/33/74/87/600337487.db2.gz ITDJHYSEEPTHAO-MRXNPFEDSA-N 0 1 388.493 3.167 20 0 GGADMN Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NCc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738872611 600337488 /nfs/dbraw/zinc/33/74/88/600337488.db2.gz ITDJHYSEEPTHAO-MRXNPFEDSA-N 0 1 388.493 3.167 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000739286203 600338626 /nfs/dbraw/zinc/33/86/26/600338626.db2.gz QQTLUHOPSMLPOI-HXUWFJFHSA-N 0 1 397.519 3.326 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000736785290 600343392 /nfs/dbraw/zinc/34/33/92/600343392.db2.gz RDIODDHGIRORSU-PKOBYXMFSA-N 0 1 387.524 3.223 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000738773312 600355815 /nfs/dbraw/zinc/35/58/15/600355815.db2.gz TYDHPMIPQAYJQD-UHFFFAOYSA-N 0 1 382.464 3.112 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736598934 600356518 /nfs/dbraw/zinc/35/65/18/600356518.db2.gz REKMCJBYVWCYHE-OAHLLOKOSA-N 0 1 382.464 3.023 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736751168 600356681 /nfs/dbraw/zinc/35/66/81/600356681.db2.gz UFEUIIIDBQCMIW-GASCZTMLSA-N 0 1 376.501 3.332 20 0 GGADMN C[NH+](C)[C@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737360157 600363140 /nfs/dbraw/zinc/36/31/40/600363140.db2.gz FHRUSZCQQBJLBM-QAPCUYQASA-N 0 1 392.858 3.142 20 0 GGADMN C[NH+](C)[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737360158 600363190 /nfs/dbraw/zinc/36/31/90/600363190.db2.gz FHRUSZCQQBJLBM-YJBOKZPZSA-N 0 1 392.858 3.142 20 0 GGADMN CC[NH+](CC)[C@@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)c1ccccc1 ZINC000737085235 600368558 /nfs/dbraw/zinc/36/85/58/600368558.db2.gz IOUUBLVGWTUJRN-GOSISDBHSA-N 0 1 381.432 3.159 20 0 GGADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)[O-] ZINC000736572724 600372977 /nfs/dbraw/zinc/37/29/77/600372977.db2.gz QBXHTNUNQXADJV-KGLIPLIRSA-N 0 1 376.453 3.098 20 0 GGADMN C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)[O-] ZINC000736572728 600372993 /nfs/dbraw/zinc/37/29/93/600372993.db2.gz QBXHTNUNQXADJV-ZIAGYGMSSA-N 0 1 376.453 3.098 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)[O-] ZINC000736572722 600373076 /nfs/dbraw/zinc/37/30/76/600373076.db2.gz QBXHTNUNQXADJV-KBPBESRZSA-N 0 1 376.453 3.098 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)C(=O)[O-] ZINC000736571168 600374442 /nfs/dbraw/zinc/37/44/42/600374442.db2.gz JBZKEWGXHSJIDO-GJZGRUSLSA-N 0 1 387.505 3.353 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736571174 600374683 /nfs/dbraw/zinc/37/46/83/600374683.db2.gz JBZKEWGXHSJIDO-LSDHHAIUSA-N 0 1 387.505 3.353 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000739622240 600377166 /nfs/dbraw/zinc/37/71/66/600377166.db2.gz BCCKWGPCCLNXNQ-AZUAARDMSA-N 0 1 398.890 3.167 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000659759219 600380399 /nfs/dbraw/zinc/38/03/99/600380399.db2.gz PJJJZYAGOCKFNO-HOTGVXAUSA-N 0 1 398.459 3.012 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000736939987 600380950 /nfs/dbraw/zinc/38/09/50/600380950.db2.gz POISBKXNOCGMQG-HNNXBMFYSA-N 0 1 377.485 3.172 20 0 GGADMN O=C([O-])c1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1F ZINC000739413999 600384790 /nfs/dbraw/zinc/38/47/90/600384790.db2.gz GMRIOWPNWOAHPV-INIZCTEOSA-N 0 1 385.439 3.210 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000736598882 600385148 /nfs/dbraw/zinc/38/51/48/600385148.db2.gz QBDGOAQKSOYOBM-LLVKDONJSA-N 0 1 377.441 3.154 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000736598882 600385150 /nfs/dbraw/zinc/38/51/50/600385150.db2.gz QBDGOAQKSOYOBM-LLVKDONJSA-N 0 1 377.441 3.154 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740017366 600387538 /nfs/dbraw/zinc/38/75/38/600387538.db2.gz MBVCHVNHVFMGHP-LJQANCHMSA-N 0 1 381.476 3.347 20 0 GGADMN Cc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000738381702 600392976 /nfs/dbraw/zinc/39/29/76/600392976.db2.gz CRXSJPSBDXEQBV-ZDUSSCGKSA-N 0 1 387.354 3.177 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)[N@@H+]1CCc2sccc2C1 ZINC000736598595 600398330 /nfs/dbraw/zinc/39/83/30/600398330.db2.gz NSMCYURXGURTAW-NSHDSACASA-N 0 1 377.441 3.154 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)[N@H+]1CCc2sccc2C1 ZINC000736598595 600398333 /nfs/dbraw/zinc/39/83/33/600398333.db2.gz NSMCYURXGURTAW-NSHDSACASA-N 0 1 377.441 3.154 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738498703 600404860 /nfs/dbraw/zinc/40/48/60/600404860.db2.gz OSWBCULCQBMDNI-BEFAXECRSA-N 0 1 385.439 3.485 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738498705 600404976 /nfs/dbraw/zinc/40/49/76/600404976.db2.gz OSWBCULCQBMDNI-HNAYVOBHSA-N 0 1 385.439 3.485 20 0 GGADMN C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736805478 600405565 /nfs/dbraw/zinc/40/55/65/600405565.db2.gz DMVSRCUFNUTYIS-YSGRDPCXSA-N 0 1 388.895 3.205 20 0 GGADMN C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736805472 600405738 /nfs/dbraw/zinc/40/57/38/600405738.db2.gz DMVSRCUFNUTYIS-CDHQVMDDSA-N 0 1 388.895 3.205 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCCC[C@H]1C ZINC000736785840 600405812 /nfs/dbraw/zinc/40/58/12/600405812.db2.gz VVBHQZQKJPGMPI-NEPJUHHUSA-N 0 1 385.411 3.371 20 0 GGADMN CC[NH+](CC)[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000647744391 600405937 /nfs/dbraw/zinc/40/59/37/600405937.db2.gz CBKMAUCFLYVRAS-INIZCTEOSA-N 0 1 398.385 3.008 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccco1 ZINC000737359751 600408234 /nfs/dbraw/zinc/40/82/34/600408234.db2.gz VYEPTPOJMVUJOU-GFCCVEGCSA-N 0 1 383.351 3.004 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737408422 600409079 /nfs/dbraw/zinc/40/90/79/600409079.db2.gz LOCXNYDJYAVSQX-DOTOQJQBSA-N 0 1 383.366 3.203 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736261224 600409264 /nfs/dbraw/zinc/40/92/64/600409264.db2.gz PFGKGAGNFLUHTN-UHFFFAOYSA-N 0 1 385.411 3.324 20 0 GGADMN O=C([O-])C1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000738481206 600411774 /nfs/dbraw/zinc/41/17/74/600411774.db2.gz HVCAIZNCDIOFTH-DXTJYYCRSA-N 0 1 385.508 3.125 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000737973626 600412228 /nfs/dbraw/zinc/41/22/28/600412228.db2.gz SRSWTXSYVIMKMP-SFHVURJKSA-N 0 1 386.423 3.444 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000737973626 600412229 /nfs/dbraw/zinc/41/22/29/600412229.db2.gz SRSWTXSYVIMKMP-SFHVURJKSA-N 0 1 386.423 3.444 20 0 GGADMN O=C([O-])CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000738563112 600412898 /nfs/dbraw/zinc/41/28/98/600412898.db2.gz LAMCNWCUQLJCCC-IHWFROFDSA-N 0 1 385.508 3.078 20 0 GGADMN Cc1[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154301 600414957 /nfs/dbraw/zinc/41/49/57/600414957.db2.gz IHAKXFSSCFJVRR-RDTXWAMCSA-N 0 1 383.492 3.455 20 0 GGADMN Cc1[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154295 600415020 /nfs/dbraw/zinc/41/50/20/600415020.db2.gz IHAKXFSSCFJVRR-KBXCAEBGSA-N 0 1 383.492 3.455 20 0 GGADMN Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000738771000 600418622 /nfs/dbraw/zinc/41/86/22/600418622.db2.gz KSXKYLYVJFNAEN-UHFFFAOYSA-N 0 1 376.888 3.017 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(Cl)c1 ZINC000739506214 600420440 /nfs/dbraw/zinc/42/04/40/600420440.db2.gz VSCFATRMKACHOV-AWEZNQCLSA-N 0 1 384.745 3.317 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000740111473 600424926 /nfs/dbraw/zinc/42/49/26/600424926.db2.gz WSIHBJSSKKYWTG-CYBMUJFWSA-N 0 1 398.406 3.469 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000740111473 600424927 /nfs/dbraw/zinc/42/49/27/600424927.db2.gz WSIHBJSSKKYWTG-CYBMUJFWSA-N 0 1 398.406 3.469 20 0 GGADMN CCc1ccc(C[NH+]2CCN(Cn3ncc4cc(C(=O)[O-])ccc43)CC2)s1 ZINC000737264124 600427580 /nfs/dbraw/zinc/42/75/80/600427580.db2.gz GPHDAYYKICRPCD-UHFFFAOYSA-N 0 1 384.505 3.134 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@H+](Cn2nc(C(=O)[O-])c(Br)c2C)C1 ZINC000738127441 600427666 /nfs/dbraw/zinc/42/76/66/600427666.db2.gz KLDHTPWQZYXBNH-GFCCVEGCSA-N 0 1 394.269 3.108 20 0 GGADMN COc1ccccc1[C@@H]1CC[N@@H+](Cn2nc(C(=O)[O-])c(Br)c2C)C1 ZINC000738127441 600427667 /nfs/dbraw/zinc/42/76/67/600427667.db2.gz KLDHTPWQZYXBNH-GFCCVEGCSA-N 0 1 394.269 3.108 20 0 GGADMN C[N@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000737393117 600428938 /nfs/dbraw/zinc/42/89/38/600428938.db2.gz GJQKJRNUZBHLSA-UHFFFAOYSA-N 0 1 396.491 3.125 20 0 GGADMN C[N@@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000737393117 600428940 /nfs/dbraw/zinc/42/89/40/600428940.db2.gz GJQKJRNUZBHLSA-UHFFFAOYSA-N 0 1 396.491 3.125 20 0 GGADMN C[C@H]1C[C@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000736763804 600438773 /nfs/dbraw/zinc/43/87/73/600438773.db2.gz VWSDPBSPENATLL-LAUBAEHRSA-N 0 1 395.503 3.308 20 0 GGADMN C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736759315 600438834 /nfs/dbraw/zinc/43/88/34/600438834.db2.gz IGPRZWNOEFZDFG-IEBWSBKVSA-N 0 1 395.503 3.308 20 0 GGADMN Cc1[nH]c(C(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154910 600439845 /nfs/dbraw/zinc/43/98/45/600439845.db2.gz WHOVYZVIAJGEBH-HNAYVOBHSA-N 0 1 397.519 3.497 20 0 GGADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000736713760 600441836 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/nfs/dbraw/zinc/70/55/27/600705527.db2.gz LXUYWBVRTIPDHO-CYBMUJFWSA-N 0 1 393.468 3.097 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000565107742 600710571 /nfs/dbraw/zinc/71/05/71/600710571.db2.gz WSSVSJKULQMDRQ-QGZVFWFLSA-N 0 1 383.835 3.444 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)C1 ZINC000262907305 600712972 /nfs/dbraw/zinc/71/29/72/600712972.db2.gz DJTKYFPSMAOOGG-QKLQHJQFSA-N 0 1 387.524 3.171 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737020877 600716971 /nfs/dbraw/zinc/71/69/71/600716971.db2.gz MZLBQMNMHGSHCY-BMGDILEWSA-N 0 1 385.464 3.059 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@@H]1C ZINC000737111798 600717507 /nfs/dbraw/zinc/71/75/07/600717507.db2.gz FOQMPPXCCRAAQE-KBPBESRZSA-N 0 1 393.553 3.068 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000740077652 600718115 /nfs/dbraw/zinc/71/81/15/600718115.db2.gz FCFSNUROOYLRML-IBGZPJMESA-N 0 1 398.434 3.452 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000740077652 600718124 /nfs/dbraw/zinc/71/81/24/600718124.db2.gz FCFSNUROOYLRML-IBGZPJMESA-N 0 1 398.434 3.452 20 0 GGADMN CN(C[C@H]1CCC[N@@H+]1Cn1ncc2cc(C(=O)[O-])ccc21)C(=O)OC(C)(C)C ZINC000830717535 600718822 /nfs/dbraw/zinc/71/88/22/600718822.db2.gz CIDOUSWCBPQMFW-MRXNPFEDSA-N 0 1 388.468 3.023 20 0 GGADMN CN(C[C@H]1CCC[N@H+]1Cn1ncc2cc(C(=O)[O-])ccc21)C(=O)OC(C)(C)C ZINC000830717535 600718823 /nfs/dbraw/zinc/71/88/23/600718823.db2.gz CIDOUSWCBPQMFW-MRXNPFEDSA-N 0 1 388.468 3.023 20 0 GGADMN C[C@@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC[N@H+]1Cc1ccccc1 ZINC000828295375 600719143 /nfs/dbraw/zinc/71/91/43/600719143.db2.gz DQVARJFEWBSKOR-QGZVFWFLSA-N 0 1 378.476 3.288 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000737021198 600719691 /nfs/dbraw/zinc/71/96/91/600719691.db2.gz RDGPQSCZRKGUFT-IAGOWNOFSA-N 0 1 387.480 3.449 20 0 GGADMN Cc1[nH]c(C(=O)CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738233347 600720845 /nfs/dbraw/zinc/72/08/45/600720845.db2.gz GBZCYKSUEAGLNV-HNNXBMFYSA-N 0 1 383.492 3.109 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000738532908 600720963 /nfs/dbraw/zinc/72/09/63/600720963.db2.gz PFAVUJVIYAKPMP-GOSISDBHSA-N 0 1 395.503 3.228 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737166510 600721486 /nfs/dbraw/zinc/72/14/86/600721486.db2.gz XZPGFJSQJRPYRR-QZTJIDSGSA-N 0 1 389.496 3.062 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1c2ccccc2nc1SC(F)F)C1CCOCC1 ZINC000833235749 600722243 /nfs/dbraw/zinc/72/22/43/600722243.db2.gz BCHGQILVZSIFPM-UHFFFAOYSA-N 0 1 385.436 3.264 20 0 GGADMN CN(Cc1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1)C(=O)[O-] ZINC000830831442 600722970 /nfs/dbraw/zinc/72/29/70/600722970.db2.gz XZHRKDFEXHIAKD-FQEVSTJZSA-N 0 1 397.475 3.026 20 0 GGADMN CN(Cc1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1)C(=O)[O-] ZINC000830831442 600722971 /nfs/dbraw/zinc/72/29/71/600722971.db2.gz XZHRKDFEXHIAKD-FQEVSTJZSA-N 0 1 397.475 3.026 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000820620745 600748346 /nfs/dbraw/zinc/74/83/46/600748346.db2.gz SMJFAWLUITXKOV-BJDYSFLHSA-N 0 1 379.526 3.074 20 0 GGADMN O=C([O-])[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000263282926 600749947 /nfs/dbraw/zinc/74/99/47/600749947.db2.gz UBBUUFQOKGBMHM-FUHWJXTLSA-N 0 1 393.915 3.201 20 0 GGADMN O=C([O-])[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000263282926 600749951 /nfs/dbraw/zinc/74/99/51/600749951.db2.gz UBBUUFQOKGBMHM-FUHWJXTLSA-N 0 1 393.915 3.201 20 0 GGADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737667313 600753022 /nfs/dbraw/zinc/75/30/22/600753022.db2.gz BABKRTNZTCXXTP-MRXNPFEDSA-N 0 1 397.479 3.109 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000830928105 600754300 /nfs/dbraw/zinc/75/43/00/600754300.db2.gz HMTUGLPDFRUYOK-VYDXJSESSA-N 0 1 391.537 3.027 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000830928751 600754340 /nfs/dbraw/zinc/75/43/40/600754340.db2.gz PVIDAVWKUUFVPT-QAPCUYQASA-N 0 1 379.526 3.027 20 0 GGADMN COc1ccc([C@H]2[C@@H](COC(=O)c3cccc(OCC(=O)[O-])c3)CC[N@H+]2C)cc1 ZINC000737987434 600756275 /nfs/dbraw/zinc/75/62/75/600756275.db2.gz SKSBLJXZOWUFCB-UTKZUKDTSA-N 0 1 399.443 3.008 20 0 GGADMN O=C([O-])[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 ZINC000833166515 600757011 /nfs/dbraw/zinc/75/70/11/600757011.db2.gz FZCZCCCTRVDUTA-DLBZAZTESA-N 0 1 390.386 3.199 20 0 GGADMN O=C([O-])[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 ZINC000833166531 600757031 /nfs/dbraw/zinc/75/70/31/600757031.db2.gz FZCZCCCTRVDUTA-SJORKVTESA-N 0 1 390.386 3.199 20 0 GGADMN O=C([O-])[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 ZINC000833166529 600757162 /nfs/dbraw/zinc/75/71/62/600757162.db2.gz FZCZCCCTRVDUTA-IAGOWNOFSA-N 0 1 390.386 3.199 20 0 GGADMN COc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1C(=O)[O-] ZINC000737996178 600759602 /nfs/dbraw/zinc/75/96/02/600759602.db2.gz BFICHWJVHXNRRV-LJQANCHMSA-N 0 1 382.460 3.064 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000736586223 600763138 /nfs/dbraw/zinc/76/31/38/600763138.db2.gz ZAXIWYJUEULMIU-SJLPKXTDSA-N 0 1 376.497 3.466 20 0 GGADMN CC(C)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(=O)[O-])c1 ZINC000736514708 600770568 /nfs/dbraw/zinc/77/05/68/600770568.db2.gz XCSIOISWRPNXEZ-HXUWFJFHSA-N 0 1 382.460 3.348 20 0 GGADMN CC(C)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(=O)[O-])c1 ZINC000736514708 600770570 /nfs/dbraw/zinc/77/05/70/600770570.db2.gz XCSIOISWRPNXEZ-HXUWFJFHSA-N 0 1 382.460 3.348 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659759145 600790230 /nfs/dbraw/zinc/79/02/30/600790230.db2.gz BNUZMTGSABBJOO-LJQANCHMSA-N 0 1 396.487 3.134 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000737514607 600791694 /nfs/dbraw/zinc/79/16/94/600791694.db2.gz NBHZWMMPHVMUQV-LBPRGKRZSA-N 0 1 392.297 3.474 20 0 GGADMN Cc1csc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832989960 600794634 /nfs/dbraw/zinc/79/46/34/600794634.db2.gz WUNFLQJUGZQDIV-OCCSQVGLSA-N 0 1 391.518 3.196 20 0 GGADMN Cc1csc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832989960 600794637 /nfs/dbraw/zinc/79/46/37/600794637.db2.gz WUNFLQJUGZQDIV-OCCSQVGLSA-N 0 1 391.518 3.196 20 0 GGADMN Cc1csc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832989958 600794734 /nfs/dbraw/zinc/79/47/34/600794734.db2.gz WUNFLQJUGZQDIV-GXTWGEPZSA-N 0 1 391.518 3.196 20 0 GGADMN Cc1csc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832989958 600794736 /nfs/dbraw/zinc/79/47/36/600794736.db2.gz WUNFLQJUGZQDIV-GXTWGEPZSA-N 0 1 391.518 3.196 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000830643562 600799426 /nfs/dbraw/zinc/79/94/26/600799426.db2.gz JQVNIURMAGGEMT-QZTJIDSGSA-N 0 1 399.516 3.455 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738533181 600801649 /nfs/dbraw/zinc/80/16/49/600801649.db2.gz OBRZIKCHWLZMGM-JXFKEZNVSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738533181 600801651 /nfs/dbraw/zinc/80/16/51/600801651.db2.gz OBRZIKCHWLZMGM-JXFKEZNVSA-N 0 1 397.475 3.104 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736648527 600809003 /nfs/dbraw/zinc/80/90/03/600809003.db2.gz FXDUCSFVNNQVRW-HNAYVOBHSA-N 0 1 398.463 3.188 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736648527 600809004 /nfs/dbraw/zinc/80/90/04/600809004.db2.gz FXDUCSFVNNQVRW-HNAYVOBHSA-N 0 1 398.463 3.188 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736648529 600809141 /nfs/dbraw/zinc/80/91/41/600809141.db2.gz FXDUCSFVNNQVRW-KXBFYZLASA-N 0 1 398.463 3.188 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736648529 600809144 /nfs/dbraw/zinc/80/91/44/600809144.db2.gz FXDUCSFVNNQVRW-KXBFYZLASA-N 0 1 398.463 3.188 20 0 GGADMN Cc1c(NC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000738303351 600809575 /nfs/dbraw/zinc/80/95/75/600809575.db2.gz HHCNOZLKNZBBEU-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1c(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000738303351 600809578 /nfs/dbraw/zinc/80/95/78/600809578.db2.gz HHCNOZLKNZBBEU-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN 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TXYJSORSWDAEBE-HNNXBMFYSA-N 0 1 388.489 3.348 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736410392 600972653 /nfs/dbraw/zinc/97/26/53/600972653.db2.gz CBKRPMJVFGEWAW-CABCVRRESA-N 0 1 381.542 3.061 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)C(=O)[O-] ZINC000736410392 600972656 /nfs/dbraw/zinc/97/26/56/600972656.db2.gz CBKRPMJVFGEWAW-CABCVRRESA-N 0 1 381.542 3.061 20 0 GGADMN O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739286152 600973615 /nfs/dbraw/zinc/97/36/15/600973615.db2.gz OMGZWNHOPNRNCC-UHFFFAOYSA-N 0 1 392.521 3.156 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000736905563 600974325 /nfs/dbraw/zinc/97/43/25/600974325.db2.gz JGFJVNWCDWFCCX-CQSZACIVSA-N 0 1 385.489 3.444 20 0 GGADMN CC(C)c1csc([C@H]2CCC[N@H+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)n1 ZINC000736523532 600974347 /nfs/dbraw/zinc/97/43/47/600974347.db2.gz ZLUDKEUVQKOCGG-ZBFHGGJFSA-N 0 1 393.553 3.158 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)NC3(C(=O)[O-])CCCCC3)C2)n1 ZINC000736523429 600974458 /nfs/dbraw/zinc/97/44/58/600974458.db2.gz WIWLDRLXYWMMGQ-OAHLLOKOSA-N 0 1 393.553 3.350 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@@H+](CC(=O)NC3(C(=O)[O-])CCCCC3)C2)n1 ZINC000736523429 600974460 /nfs/dbraw/zinc/97/44/60/600974460.db2.gz WIWLDRLXYWMMGQ-OAHLLOKOSA-N 0 1 393.553 3.350 20 0 GGADMN Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000738698523 600979009 /nfs/dbraw/zinc/97/90/09/600979009.db2.gz MRURPUTUISTEQD-VXKWHMMOSA-N 0 1 392.499 3.478 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1C ZINC000738698521 600979527 /nfs/dbraw/zinc/97/95/27/600979527.db2.gz MRURPUTUISTEQD-FGZHOGPDSA-N 0 1 392.499 3.478 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])C12CCCCC2 ZINC000737158866 600980126 /nfs/dbraw/zinc/98/01/26/600980126.db2.gz UJLCQASVDSFLPF-OALUTQOASA-N 0 1 388.508 3.407 20 0 GGADMN 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WBBJYJBZNIJSGK-UHFFFAOYSA-N 0 1 376.478 3.321 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000738644206 601002010 /nfs/dbraw/zinc/00/20/10/601002010.db2.gz WBBJYJBZNIJSGK-UHFFFAOYSA-N 0 1 376.478 3.321 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833010126 601002139 /nfs/dbraw/zinc/00/21/39/601002139.db2.gz FPCDWBJROZBSCD-UHFFFAOYSA-N 0 1 385.468 3.092 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000828258524 601004919 /nfs/dbraw/zinc/00/49/19/601004919.db2.gz SLOIRDHQWCROGH-IRXDYDNUSA-N 0 1 389.496 3.268 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000828258522 601004924 /nfs/dbraw/zinc/00/49/24/601004924.db2.gz SLOIRDHQWCROGH-DLBZAZTESA-N 0 1 389.496 3.268 20 0 GGADMN C[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828276658 601004989 /nfs/dbraw/zinc/00/49/89/601004989.db2.gz DTVOZNODOJOEHI-KRWDZBQOSA-N 0 1 397.475 3.278 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000832915224 601010482 /nfs/dbraw/zinc/01/04/82/601010482.db2.gz ICYKPHJMGLNYFV-LJQANCHMSA-N 0 1 381.476 3.233 20 0 GGADMN CC(C)(O)C[N@@H+](Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CCOCC1 ZINC000826636729 601010973 /nfs/dbraw/zinc/01/09/73/601010973.db2.gz GSISEBGAXAHZSI-UHFFFAOYSA-N 0 1 390.505 3.260 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000833107258 601013111 /nfs/dbraw/zinc/01/31/11/601013111.db2.gz UMLBMJKRGPGQLW-NSHDSACASA-N 0 1 394.880 3.019 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000833107258 601013114 /nfs/dbraw/zinc/01/31/14/601013114.db2.gz UMLBMJKRGPGQLW-NSHDSACASA-N 0 1 394.880 3.019 20 0 GGADMN COc1ccc(-n2c(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])nc3ccccc32)cc1 ZINC000652484113 601017760 /nfs/dbraw/zinc/01/77/60/601017760.db2.gz JKQWQYGCKRUZQT-INIZCTEOSA-N 0 1 397.500 3.426 20 0 GGADMN COc1ccc(-n2c(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])nc3ccccc32)cc1 ZINC000652484113 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LJEASYJATUXUJB-QGZVFWFLSA-N 0 1 388.489 3.147 20 0 GGADMN CC[C@](C)([NH2+]CC(=O)NCc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000828691679 601042946 /nfs/dbraw/zinc/04/29/46/601042946.db2.gz AWFSKVFKEYQHMW-SFHVURJKSA-N 0 1 376.482 3.073 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843444 601045425 /nfs/dbraw/zinc/04/54/25/601045425.db2.gz WZVATWNGQZNUIG-MJGOQNOKSA-N 0 1 397.519 3.355 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843441 601045498 /nfs/dbraw/zinc/04/54/98/601045498.db2.gz WZVATWNGQZNUIG-HKUYNNGSSA-N 0 1 397.519 3.355 20 0 GGADMN O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CCOCC1 ZINC000516654046 601046740 /nfs/dbraw/zinc/04/67/40/601046740.db2.gz DGUJXRXNMOGHOF-UHFFFAOYSA-N 0 1 382.460 3.248 20 0 GGADMN COc1ccc(-n2c(C[N@@H+](CC(=O)[O-])C3CCOCC3)nc3ccccc32)cc1 ZINC000574992352 601046906 /nfs/dbraw/zinc/04/69/06/601046906.db2.gz FPHXKVRAJGRXNO-UHFFFAOYSA-N 0 1 395.459 3.100 20 0 GGADMN O=C([O-])C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCOCC1 ZINC000569581161 601047039 /nfs/dbraw/zinc/04/70/39/601047039.db2.gz HYDDZHFGKPAVDR-UHFFFAOYSA-N 0 1 399.472 3.130 20 0 GGADMN COc1ccccc1-c1nc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cs1 ZINC000571919704 601048421 /nfs/dbraw/zinc/04/84/21/601048421.db2.gz ZOKKSHPIYTWIBJ-UHFFFAOYSA-N 0 1 376.478 3.274 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000833011346 601049025 /nfs/dbraw/zinc/04/90/25/601049025.db2.gz IJZAFVUIKUOSKG-UHFFFAOYSA-N 0 1 377.872 3.290 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000662232060 601050220 /nfs/dbraw/zinc/05/02/20/601050220.db2.gz FLVWMBVNCOYLDZ-NRFANRHFSA-N 0 1 378.472 3.497 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC4(C3)CCOCC4)c2C(=O)[O-])C1 ZINC000828311154 601050983 /nfs/dbraw/zinc/05/09/83/601050983.db2.gz USGMABAPVLUJPR-CYBMUJFWSA-N 0 1 392.521 3.012 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000833020863 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399.535 3.176 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000630223168 601085831 /nfs/dbraw/zinc/08/58/31/601085831.db2.gz IHVUFTZRXCQIBP-CQSZACIVSA-N 0 1 384.501 3.135 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])CC2)[nH+]c1 ZINC000832936578 601086594 /nfs/dbraw/zinc/08/65/94/601086594.db2.gz LLLQTFKMIDEUEN-UXHICEINSA-N 0 1 399.535 3.488 20 0 GGADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000828412539 601087792 /nfs/dbraw/zinc/08/77/92/601087792.db2.gz NMKUJTSKVFTCSU-GJZGRUSLSA-N 0 1 391.512 3.058 20 0 GGADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000828412536 601087826 /nfs/dbraw/zinc/08/78/26/601087826.db2.gz NMKUJTSKVFTCSU-GASCZTMLSA-N 0 1 391.512 3.058 20 0 GGADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000828412536 601087828 /nfs/dbraw/zinc/08/78/28/601087828.db2.gz NMKUJTSKVFTCSU-GASCZTMLSA-N 0 1 391.512 3.058 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000827380021 601088114 /nfs/dbraw/zinc/08/81/14/601088114.db2.gz OOBPBKNBMKQCIQ-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H](C[N@H+](Cc1ccccc1)CN1C[C@H](c2cccc(F)c2)CC1=O)C(=O)[O-] ZINC000736586260 601089630 /nfs/dbraw/zinc/08/96/30/601089630.db2.gz ZPVWNLWNEMUZBS-VQIMIIECSA-N 0 1 384.451 3.322 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@H+](Cn3nc(C(=O)[O-])c(Cl)c3C)C2)cc1 ZINC000737987257 601091557 /nfs/dbraw/zinc/09/15/57/601091557.db2.gz YNEGKRNAGQNSLI-OAHLLOKOSA-N 0 1 377.872 3.464 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(C(=O)[O-])c(Cl)c3C)C2)cc1 ZINC000737987257 601091561 /nfs/dbraw/zinc/09/15/61/601091561.db2.gz YNEGKRNAGQNSLI-OAHLLOKOSA-N 0 1 377.872 3.464 20 0 GGADMN O=C([O-])CSCCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000739843432 601096512 /nfs/dbraw/zinc/09/65/12/601096512.db2.gz DFMSYUBIRKJUQA-UHFFFAOYSA-N 0 1 390.549 3.242 20 0 GGADMN Cc1cc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)sc1-c1ccc(F)cc1 ZINC000630227084 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GPXCASHHSKMXOQ-GOSISDBHSA-N 0 1 385.464 3.119 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccncc2Cl)CC1 ZINC000833171346 601114118 /nfs/dbraw/zinc/11/41/18/601114118.db2.gz ONMAAZZTTXMOSC-KRWDZBQOSA-N 0 1 380.275 3.332 20 0 GGADMN CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](CCOc3cccc(C(=O)[O-])c3)C2)o1 ZINC000736524013 601114618 /nfs/dbraw/zinc/11/46/18/601114618.db2.gz YDQZBTAZPZZXMJ-QGZVFWFLSA-N 0 1 387.480 3.081 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738476564 601115918 /nfs/dbraw/zinc/11/59/18/601115918.db2.gz UPUHGWGIBCPLRS-FQEVSTJZSA-N 0 1 382.460 3.452 20 0 GGADMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)cn1 ZINC000833045477 601118933 /nfs/dbraw/zinc/11/89/33/601118933.db2.gz WUEGRJVXRZOWGM-AWEZNQCLSA-N 0 1 382.489 3.306 20 0 GGADMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148646 601119220 /nfs/dbraw/zinc/11/92/20/601119220.db2.gz BYVBTKUKJXKDSZ-APWZRJJASA-N 0 1 381.476 3.346 20 0 GGADMN 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ZINC000833106732 601156824 /nfs/dbraw/zinc/15/68/24/601156824.db2.gz UXJPQXQBTXGECU-YPMHNXCESA-N 0 1 380.491 3.034 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])CC2)[nH+]c1 ZINC000832936630 601170383 /nfs/dbraw/zinc/17/03/83/601170383.db2.gz NFDAOQXPFNEJHV-UZLBHIALSA-N 0 1 381.476 3.185 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000830193446 601174436 /nfs/dbraw/zinc/17/44/36/601174436.db2.gz XWLDXMUFIYJMGI-WMLDXEAASA-N 0 1 383.492 3.367 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257837 601179483 /nfs/dbraw/zinc/17/94/83/601179483.db2.gz MLFLRHIDKYRUOG-CKFHNAJUSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257837 601179484 /nfs/dbraw/zinc/17/94/84/601179484.db2.gz MLFLRHIDKYRUOG-CKFHNAJUSA-N 0 1 396.443 3.191 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)cs2)c1 ZINC000582306996 601181747 /nfs/dbraw/zinc/18/17/47/601181747.db2.gz PJGMKDZWQWZHQP-GOSISDBHSA-N 0 1 388.489 3.278 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)cs2)cc1 ZINC000566362730 601181792 /nfs/dbraw/zinc/18/17/92/601181792.db2.gz VZZDIWANBWIEEE-GOSISDBHSA-N 0 1 388.489 3.278 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826793587 601183534 /nfs/dbraw/zinc/18/35/34/601183534.db2.gz PZWCYWDGMJIFRS-SIKLNZKXSA-N 0 1 387.524 3.183 20 0 GGADMN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CC3 ZINC000833325585 601184962 /nfs/dbraw/zinc/18/49/62/601184962.db2.gz SFMVXYSVFUOKTG-INIZCTEOSA-N 0 1 395.503 3.405 20 0 GGADMN O=C([O-])CCCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000833228473 601186232 /nfs/dbraw/zinc/18/62/32/601186232.db2.gz WZGFIMJERFXSEN-SFHVURJKSA-N 0 1 388.508 3.201 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828177145 601212365 /nfs/dbraw/zinc/21/23/65/601212365.db2.gz OFKCZQJWIGHBQB-UWJYYQICSA-N 0 1 395.503 3.280 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000828175960 601213318 /nfs/dbraw/zinc/21/33/18/601213318.db2.gz GBJIMPZIJBQHPO-IIBYNOLFSA-N 0 1 393.487 3.463 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000828175959 601213376 /nfs/dbraw/zinc/21/33/76/601213376.db2.gz GBJIMPZIJBQHPO-IERDGZPVSA-N 0 1 393.487 3.463 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(CC(=O)[O-])CC2)cs1 ZINC000832979175 601225693 /nfs/dbraw/zinc/22/56/93/601225693.db2.gz VWRPSCYJAGXZQC-UHFFFAOYSA-N 0 1 387.505 3.319 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000833009200 601235298 /nfs/dbraw/zinc/23/52/98/601235298.db2.gz MLIZPNQWBFRTRC-NSHDSACASA-N 0 1 385.449 3.147 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC[N@H+]2C)cc1 ZINC000832265219 601240042 /nfs/dbraw/zinc/24/00/42/601240042.db2.gz LJMMOQFNUYUTJE-MJQMVNBJSA-N 0 1 375.465 3.122 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000829613072 601243588 /nfs/dbraw/zinc/24/35/88/601243588.db2.gz GWNIIOATIZMLLH-INIZCTEOSA-N 0 1 379.526 3.200 20 0 GGADMN CCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000829452449 601245928 /nfs/dbraw/zinc/24/59/28/601245928.db2.gz AXMVJFYSCPLLBN-LJQANCHMSA-N 0 1 381.476 3.297 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263307072 601270966 /nfs/dbraw/zinc/27/09/66/601270966.db2.gz XWOUSSCXVAAYLB-UZLBHIALSA-N 0 1 381.476 3.095 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000833325248 601283444 /nfs/dbraw/zinc/28/34/44/601283444.db2.gz NDYQSGIFJZBQBY-HXUWFJFHSA-N 0 1 382.435 3.421 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000833325248 601283445 /nfs/dbraw/zinc/28/34/45/601283445.db2.gz NDYQSGIFJZBQBY-HXUWFJFHSA-N 0 1 382.435 3.421 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000830191060 601289348 /nfs/dbraw/zinc/28/93/48/601289348.db2.gz FTAZHGGJVSKRPV-RDTXWAMCSA-N 0 1 383.492 3.224 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828456311 601289622 /nfs/dbraw/zinc/28/96/22/601289622.db2.gz KGTQNTXWAWPIRJ-UWJYYQICSA-N 0 1 380.488 3.344 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000831919542 601306903 /nfs/dbraw/zinc/30/69/03/601306903.db2.gz WSKUQLRFQABBKB-XKGZKEIXSA-N 0 1 399.487 3.086 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000831919370 601307122 /nfs/dbraw/zinc/30/71/22/601307122.db2.gz WSKUQLRFQABBKB-ILZDJORESA-N 0 1 399.487 3.086 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000414629145 601315192 /nfs/dbraw/zinc/31/51/92/601315192.db2.gz QJCUJZOWABEDMT-JOCHJYFZSA-N 0 1 387.524 3.329 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710028 601318645 /nfs/dbraw/zinc/31/86/45/601318645.db2.gz UYHYRWGZDLFWLN-LHSJRXKWSA-N 0 1 383.492 3.181 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710028 601318648 /nfs/dbraw/zinc/31/86/48/601318648.db2.gz UYHYRWGZDLFWLN-LHSJRXKWSA-N 0 1 383.492 3.181 20 0 GGADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000833172421 601326412 /nfs/dbraw/zinc/32/64/12/601326412.db2.gz VGSPCIVXSRCGEL-OAQYLSRUSA-N 0 1 384.451 3.119 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](c4ccccc4)[C@H]3C)nc(=O)c12 ZINC000832852829 601329231 /nfs/dbraw/zinc/32/92/31/601329231.db2.gz LWNNZKNNCOPQJL-OCCSQVGLSA-N 0 1 383.473 3.369 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](c4ccccc4)[C@H]3C)nc(=O)c12 ZINC000832852829 601329233 /nfs/dbraw/zinc/32/92/33/601329233.db2.gz LWNNZKNNCOPQJL-OCCSQVGLSA-N 0 1 383.473 3.369 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828457133 601335041 /nfs/dbraw/zinc/33/50/41/601335041.db2.gz RUWIXBMOTRUXIO-JXFKEZNVSA-N 0 1 397.475 3.182 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828455368 601335067 /nfs/dbraw/zinc/33/50/67/601335067.db2.gz ACSIPFUTCKKSGX-UZLBHIALSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828455651 601335166 /nfs/dbraw/zinc/33/51/66/601335166.db2.gz DRJYSLOZVHQDCD-OXJNMPFZSA-N 0 1 397.475 3.182 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829160284 601336804 /nfs/dbraw/zinc/33/68/04/601336804.db2.gz HCBAUVCDRGEBSM-KGLIPLIRSA-N 0 1 397.422 3.467 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829162773 601337051 /nfs/dbraw/zinc/33/70/51/601337051.db2.gz UFFDPTDEXZVXMU-MSOLQXFVSA-N 0 1 391.537 3.485 20 0 GGADMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829162806 601337186 /nfs/dbraw/zinc/33/71/86/601337186.db2.gz UFFDPTDEXZVXMU-ROUUACIJSA-N 0 1 391.537 3.485 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000832849417 601342829 /nfs/dbraw/zinc/34/28/29/601342829.db2.gz ZMURGEKZRKHVSR-BXUZGUMPSA-N 0 1 378.270 3.488 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000832849417 601342831 /nfs/dbraw/zinc/34/28/31/601342831.db2.gz ZMURGEKZRKHVSR-BXUZGUMPSA-N 0 1 378.270 3.488 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000826026661 601379943 /nfs/dbraw/zinc/37/99/43/601379943.db2.gz PULGGDFJMBZGIW-DGCLKSJQSA-N 0 1 377.441 3.073 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000826026661 601379946 /nfs/dbraw/zinc/37/99/46/601379946.db2.gz PULGGDFJMBZGIW-DGCLKSJQSA-N 0 1 377.441 3.073 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000829357443 601398677 /nfs/dbraw/zinc/39/86/77/601398677.db2.gz QEZUQNHWJWDKLG-INIZCTEOSA-N 0 1 386.496 3.101 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC000829357446 601398837 /nfs/dbraw/zinc/39/88/37/601398837.db2.gz QEZUQNHWJWDKLG-MRXNPFEDSA-N 0 1 386.496 3.101 20 0 GGADMN COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000831060301 601400563 /nfs/dbraw/zinc/40/05/63/601400563.db2.gz SESLCDNIORXQOD-OAHLLOKOSA-N 0 1 381.432 3.003 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000830369009 601413343 /nfs/dbraw/zinc/41/33/43/601413343.db2.gz HZPXVJCTLDWRIJ-LBPRGKRZSA-N 0 1 391.855 3.439 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000830369374 601421778 /nfs/dbraw/zinc/42/17/78/601421778.db2.gz OJKYIPDSSLJQJM-GFCCVEGCSA-N 0 1 390.402 3.163 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000832915144 601423559 /nfs/dbraw/zinc/42/35/59/601423559.db2.gz HOAXOXMAOARFGM-FXAWDEMLSA-N 0 1 395.503 3.227 20 0 GGADMN Cc1cc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000832892432 601433298 /nfs/dbraw/zinc/43/32/98/601433298.db2.gz GRLGDRQJKSNNOK-SJORKVTESA-N 0 1 390.528 3.240 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000832892432 601433299 /nfs/dbraw/zinc/43/32/99/601433299.db2.gz GRLGDRQJKSNNOK-SJORKVTESA-N 0 1 390.528 3.240 20 0 GGADMN Cc1nc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)sc1C(=O)[O-] ZINC000833003773 601436404 /nfs/dbraw/zinc/43/64/04/601436404.db2.gz NPPIHMMJSAJYKX-CYBMUJFWSA-N 0 1 377.441 3.140 20 0 GGADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833010041 601476697 /nfs/dbraw/zinc/47/66/97/601476697.db2.gz AUBNBIDVHQLYDD-QGZVFWFLSA-N 0 1 397.479 3.186 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828378401 601478694 /nfs/dbraw/zinc/47/86/94/601478694.db2.gz QJYIVUYAVHGQOR-DNVCBOLYSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828378401 601478695 /nfs/dbraw/zinc/47/86/95/601478695.db2.gz QJYIVUYAVHGQOR-DNVCBOLYSA-N 0 1 398.463 3.048 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000663149766 601484935 /nfs/dbraw/zinc/48/49/35/601484935.db2.gz ZAOLVAAHLYAKNY-GHTZIAJQSA-N 0 1 396.462 3.248 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000663149768 601485057 /nfs/dbraw/zinc/48/50/57/601485057.db2.gz ZAOLVAAHLYAKNY-NQIIRXRSSA-N 0 1 396.462 3.248 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000663149770 601485328 /nfs/dbraw/zinc/48/53/28/601485328.db2.gz ZAOLVAAHLYAKNY-RXVVDRJESA-N 0 1 396.462 3.248 20 0 GGADMN C[C@H](c1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000656602841 601486424 /nfs/dbraw/zinc/48/64/24/601486424.db2.gz ZINDKCKISVKDEC-MRXNPFEDSA-N 0 1 389.496 3.189 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)cs2)c1 ZINC000832926594 601513497 /nfs/dbraw/zinc/51/34/97/601513497.db2.gz UYCFMMPKCQGTRJ-HOCLYGCPSA-N 0 1 387.505 3.094 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)cs2)c1 ZINC000832926593 601513583 /nfs/dbraw/zinc/51/35/83/601513583.db2.gz UYCFMMPKCQGTRJ-GOEBONIOSA-N 0 1 387.505 3.094 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424012 601513750 /nfs/dbraw/zinc/51/37/50/601513750.db2.gz NVQRJHQJIKNJPB-RKVPGOIHSA-N 0 1 399.516 3.353 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000830109885 601515872 /nfs/dbraw/zinc/51/58/72/601515872.db2.gz QIVVKFWMMJDYHA-KNBMTAEXSA-N 0 1 382.460 3.418 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000830109887 601516016 /nfs/dbraw/zinc/51/60/16/601516016.db2.gz QIVVKFWMMJDYHA-VPWXQRGCSA-N 0 1 382.460 3.418 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263306796 601522347 /nfs/dbraw/zinc/52/23/47/601522347.db2.gz HJFUETOQBHHYNU-GQIGUUNPSA-N 0 1 382.460 3.245 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421576 601522504 /nfs/dbraw/zinc/52/25/04/601522504.db2.gz HJFUETOQBHHYNU-QINHECLXSA-N 0 1 382.460 3.245 20 0 GGADMN CCOc1ccc(-c2nc(C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)cs2)cc1OC ZINC000830054244 601523931 /nfs/dbraw/zinc/52/39/31/601523931.db2.gz WRYKANOVYPRANX-DOMZBBRYSA-N 0 1 376.478 3.370 20 0 GGADMN CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000830238282 601525834 /nfs/dbraw/zinc/52/58/34/601525834.db2.gz QSBBTILCABYRNN-ZTQAJYAQSA-N 0 1 386.517 3.169 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000828309890 601528166 /nfs/dbraw/zinc/52/81/66/601528166.db2.gz GXFYDLQUVMASLM-MPPDQPJWSA-N 0 1 375.494 3.235 20 0 GGADMN 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601627082 /nfs/dbraw/zinc/62/70/82/601627082.db2.gz YROOPODQSZNZIP-OAHLLOKOSA-N 0 1 375.375 3.059 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000833032696 601631020 /nfs/dbraw/zinc/63/10/20/601631020.db2.gz MITHXYPPEIONIG-GFCCVEGCSA-N 0 1 378.498 3.140 20 0 GGADMN C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827436760 601636036 /nfs/dbraw/zinc/63/60/36/601636036.db2.gz IPBWSNRDMWTXCL-LLVKDONJSA-N 0 1 383.420 3.025 20 0 GGADMN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827436761 601636182 /nfs/dbraw/zinc/63/61/82/601636182.db2.gz IPBWSNRDMWTXCL-NSHDSACASA-N 0 1 383.420 3.025 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000833030890 601636392 /nfs/dbraw/zinc/63/63/92/601636392.db2.gz AGCOOGKBJRMHHQ-QGZVFWFLSA-N 0 1 394.924 3.259 20 0 GGADMN Cc1sc(C(=O)[O-])cc1CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000833031889 601636497 /nfs/dbraw/zinc/63/64/97/601636497.db2.gz VBYGKFYOKFLXNB-JTQLQIEISA-N 0 1 385.486 3.256 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829643201 601643993 /nfs/dbraw/zinc/64/39/93/601643993.db2.gz WLKYVTHPAIQKPC-CYBMUJFWSA-N 0 1 390.377 3.147 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])sc2C)C1 ZINC000829643101 601644002 /nfs/dbraw/zinc/64/40/02/601644002.db2.gz SYGBTNBSOYQTEN-GFCCVEGCSA-N 0 1 392.443 3.378 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C[C@H]1C(=O)[O-] ZINC000828159822 601649617 /nfs/dbraw/zinc/64/96/17/601649617.db2.gz CBZKETCVCYAFRP-AXVVYFOYSA-N 0 1 387.524 3.027 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C[C@@H]1C(=O)[O-] ZINC000828159835 601649726 /nfs/dbraw/zinc/64/97/26/601649726.db2.gz CBZKETCVCYAFRP-YZLZLFLDSA-N 0 1 387.524 3.027 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@H]4COCC[C@H]43)c2C(=O)[O-])C1 ZINC000828311320 601662031 /nfs/dbraw/zinc/66/20/31/601662031.db2.gz WQIPIGCWFMKUCK-UMVBOHGHSA-N 0 1 392.521 3.011 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)c1OCC(=O)[O-] ZINC000832861233 601679440 /nfs/dbraw/zinc/67/94/40/601679440.db2.gz WFVHLHRTLJYARE-SCTDSRPQSA-N 0 1 388.508 3.244 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@](F)(C(=O)[O-])C1)C1CCCCC1 ZINC000830860773 601686124 /nfs/dbraw/zinc/68/61/24/601686124.db2.gz YAQHKMSYDQYJDB-FQEVSTJZSA-N 0 1 377.460 3.482 20 0 GGADMN C[C@@H](Cc1cccc(F)c1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827585879 601727882 /nfs/dbraw/zinc/72/78/82/601727882.db2.gz CIWSKBUCZRGNPF-GAJHUEQPSA-N 0 1 398.478 3.240 20 0 GGADMN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000829753510 601727925 /nfs/dbraw/zinc/72/79/25/601727925.db2.gz PNSCBBGKXZETBS-CZUORRHYSA-N 0 1 388.489 3.340 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cc3occc3s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128509 601728665 /nfs/dbraw/zinc/72/86/65/601728665.db2.gz IIOPNSUXEQIWMS-HXUWFJFHSA-N 0 1 384.457 3.344 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cccc3cnccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128471 601728692 /nfs/dbraw/zinc/72/86/92/601728692.db2.gz HCYMBBHGEHWYBO-HSZRJFAPSA-N 0 1 389.455 3.084 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cc3cccc(F)c3o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128476 601729686 /nfs/dbraw/zinc/72/96/86/601729686.db2.gz HDEVTXQIDYKZCU-JOCHJYFZSA-N 0 1 396.418 3.421 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CSc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128988 601729689 /nfs/dbraw/zinc/72/96/89/601729689.db2.gz QLQFIUVCCCWCDX-PGRDOPGGSA-N 0 1 396.512 3.112 20 0 GGADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CSc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128987 601730025 /nfs/dbraw/zinc/73/00/25/601730025.db2.gz QLQFIUVCCCWCDX-GCJKJVERSA-N 0 1 396.512 3.112 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128991 601730109 /nfs/dbraw/zinc/73/01/09/601730109.db2.gz QMGPPIAFPMWWAE-PQNGQFLHSA-N 0 1 392.499 3.101 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2ccc3[nH]ccc3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129159 601730351 /nfs/dbraw/zinc/73/03/51/601730351.db2.gz VHBYPMCDUPJIEB-QFIPXVFZSA-N 0 1 377.444 3.017 20 0 GGADMN CSc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832774548 601730894 /nfs/dbraw/zinc/73/08/94/601730894.db2.gz OOWOHBSHERRVKP-NRFANRHFSA-N 0 1 384.501 3.258 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)/C=C/c2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833094703 601731344 /nfs/dbraw/zinc/73/13/44/601731344.db2.gz JZDXYOQSJUHJNG-NELJVSICSA-N 0 1 382.435 3.075 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cc3cc(F)ccc3o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128624 601731610 /nfs/dbraw/zinc/73/16/10/601731610.db2.gz KIBDVDBSKMPFDX-JOCHJYFZSA-N 0 1 396.418 3.421 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)CCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128787 601731796 /nfs/dbraw/zinc/73/17/96/601731796.db2.gz MVBGZJZEQNYRPK-QHCPKHFHSA-N 0 1 378.472 3.025 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Cc2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116700 601731849 /nfs/dbraw/zinc/73/18/49/601731849.db2.gz ADYILLIOKWGFLJ-OAQYLSRUSA-N 0 1 386.879 3.118 20 0 GGADMN C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000825995039 601732285 /nfs/dbraw/zinc/73/22/85/601732285.db2.gz LMCIQACDUULRDX-AOMKIAJQSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@]1(NC(=O)CCCc2cccs2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833099333 601732992 /nfs/dbraw/zinc/73/29/92/601732992.db2.gz PZFGQNHVEHCJTN-NRFANRHFSA-N 0 1 386.517 3.306 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cnc3ccsc3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128512 601733486 /nfs/dbraw/zinc/73/34/86/601733486.db2.gz IJVZLJYZWPLSBQ-OAQYLSRUSA-N 0 1 395.484 3.146 20 0 GGADMN C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000825994401 601733523 /nfs/dbraw/zinc/73/35/23/601733523.db2.gz GOXWIZWIZWBBQI-OPAMFIHVSA-N 0 1 384.451 3.165 20 0 GGADMN Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(F)cc1F ZINC000832863580 601734347 /nfs/dbraw/zinc/73/43/47/601734347.db2.gz RQGGCDISVCFFOR-OAQYLSRUSA-N 0 1 388.414 3.122 20 0 GGADMN O=C(C[C@H]1CCc2ccccc21)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833097340 601735038 /nfs/dbraw/zinc/73/50/38/601735038.db2.gz LNNSHXOCLZLZPN-HYBUGGRVSA-N 0 1 392.499 3.342 20 0 GGADMN O=C(C[C@H]1CCc2ccccc21)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833097342 601735049 /nfs/dbraw/zinc/73/50/49/601735049.db2.gz LNNSHXOCLZLZPN-YKSBVNFPSA-N 0 1 392.499 3.342 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128670 601735401 /nfs/dbraw/zinc/73/54/01/601735401.db2.gz LESKUPAXOBPJFS-SXWKCWPCSA-N 0 1 396.462 3.165 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2ccc3cc[nH]c3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129000 601735497 /nfs/dbraw/zinc/73/54/97/601735497.db2.gz RCYLNUHLPROCFK-JOCHJYFZSA-N 0 1 377.444 3.017 20 0 GGADMN O=C([O-])[C@]1(NC(=O)C2(Cc3ccccc3)CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128208 601741268 /nfs/dbraw/zinc/74/12/68/601741268.db2.gz BEGBXUHHKRIKQT-DEOSSOPVSA-N 0 1 392.499 3.245 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cccc3c2CCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128314 601741612 /nfs/dbraw/zinc/74/16/12/601741612.db2.gz DDHRZFDSIFJIGQ-HSZRJFAPSA-N 0 1 378.472 3.025 20 0 GGADMN COc1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)cc1-c1nn[nH]n1 ZINC000826194520 607524229 /nfs/dbraw/zinc/52/42/29/607524229.db2.gz OBXSOWPZOHJFDK-CQSZACIVSA-N 0 1 383.477 3.174 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000826881137 601750568 /nfs/dbraw/zinc/75/05/68/601750568.db2.gz GFJASTSPQNBUKC-MRXNPFEDSA-N 0 1 388.512 3.084 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cccc3[nH]ccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128500 601778226 /nfs/dbraw/zinc/77/82/26/601778226.db2.gz IDHNTEMPBZRUDV-JOCHJYFZSA-N 0 1 377.444 3.017 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000833009205 601800158 /nfs/dbraw/zinc/80/01/58/601800158.db2.gz MQWOLMOZSXDITB-AWEZNQCLSA-N 0 1 399.472 3.060 20 0 GGADMN CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])nc1 ZINC000652452799 601804205 /nfs/dbraw/zinc/80/42/05/601804205.db2.gz SOLRFMSXKIIHKJ-GOSISDBHSA-N 0 1 386.448 3.072 20 0 GGADMN CCOc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])nc1 ZINC000652452799 601804206 /nfs/dbraw/zinc/80/42/06/601804206.db2.gz SOLRFMSXKIIHKJ-GOSISDBHSA-N 0 1 386.448 3.072 20 0 GGADMN CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])nc1 ZINC000652452800 601804252 /nfs/dbraw/zinc/80/42/52/601804252.db2.gz SOLRFMSXKIIHKJ-SFHVURJKSA-N 0 1 386.448 3.072 20 0 GGADMN CCOc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])nc1 ZINC000652452800 601804254 /nfs/dbraw/zinc/80/42/54/601804254.db2.gz SOLRFMSXKIIHKJ-SFHVURJKSA-N 0 1 386.448 3.072 20 0 GGADMN COc1ccc(Nc2nn(C[N@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)c(=S)s2)cc1 ZINC000832419285 601813062 /nfs/dbraw/zinc/81/30/62/601813062.db2.gz GPSHSCULMUZOHI-MFKMUULPSA-N 0 1 380.495 3.036 20 0 GGADMN COc1ccc(Nc2nn(C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)c(=S)s2)cc1 ZINC000832419285 601813064 /nfs/dbraw/zinc/81/30/64/601813064.db2.gz GPSHSCULMUZOHI-MFKMUULPSA-N 0 1 380.495 3.036 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000659774053 601814622 /nfs/dbraw/zinc/81/46/22/601814622.db2.gz GGIVPZQAIFYRTB-SFHVURJKSA-N 0 1 376.472 3.141 20 0 GGADMN CCOc1ccccc1Nc1nn(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c(=S)s1 ZINC000830109932 601816091 /nfs/dbraw/zinc/81/60/91/601816091.db2.gz SRVDHMFFCFNLCG-NWDGAFQWSA-N 0 1 394.522 3.426 20 0 GGADMN CCOc1ccccc1Nc1nn(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c(=S)s1 ZINC000830109932 601816092 /nfs/dbraw/zinc/81/60/92/601816092.db2.gz SRVDHMFFCFNLCG-NWDGAFQWSA-N 0 1 394.522 3.426 20 0 GGADMN C[C@@H]1C[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C[C@H]1C(=O)[O-] ZINC000828463932 601816460 /nfs/dbraw/zinc/81/64/60/601816460.db2.gz SFDSAJHWOPWQPL-ZWNOBZJWSA-N 0 1 382.233 3.062 20 0 GGADMN C[C@@H]1C[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C[C@H]1C(=O)[O-] ZINC000828463932 601816462 /nfs/dbraw/zinc/81/64/62/601816462.db2.gz SFDSAJHWOPWQPL-ZWNOBZJWSA-N 0 1 382.233 3.062 20 0 GGADMN COc1cccc(Nc2nn(C[N@@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)c(=S)s2)c1 ZINC000832562673 601819871 /nfs/dbraw/zinc/81/98/71/601819871.db2.gz QGNXYCOHGKPOLF-GXFFZTMASA-N 0 1 380.495 3.036 20 0 GGADMN COc1cccc(Nc2nn(C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)c(=S)s2)c1 ZINC000832562673 601819873 /nfs/dbraw/zinc/81/98/73/601819873.db2.gz QGNXYCOHGKPOLF-GXFFZTMASA-N 0 1 380.495 3.036 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000832849192 601820791 /nfs/dbraw/zinc/82/07/91/601820791.db2.gz TYAYRVLWZRGVSP-KRWDZBQOSA-N 0 1 378.270 3.273 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000832849192 601820792 /nfs/dbraw/zinc/82/07/92/601820792.db2.gz TYAYRVLWZRGVSP-KRWDZBQOSA-N 0 1 378.270 3.273 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000659774475 601821123 /nfs/dbraw/zinc/82/11/23/601821123.db2.gz LCNPDBSQVQXBFI-LJQANCHMSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000659774475 601821125 /nfs/dbraw/zinc/82/11/25/601821125.db2.gz LCNPDBSQVQXBFI-LJQANCHMSA-N 0 1 376.472 3.284 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1Cl ZINC000659393121 601822888 /nfs/dbraw/zinc/82/28/88/601822888.db2.gz RHCHABBGXMRULK-QGZVFWFLSA-N 0 1 381.904 3.229 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000817744202 601825199 /nfs/dbraw/zinc/82/51/99/601825199.db2.gz UOPQVQLRYYKHSZ-NSHDSACASA-N 0 1 377.441 3.073 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000659394962 601825814 /nfs/dbraw/zinc/82/58/14/601825814.db2.gz ARLHLBNXSSNKRA-KRWDZBQOSA-N 0 1 393.553 3.247 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000659399183 601828033 /nfs/dbraw/zinc/82/80/33/601828033.db2.gz 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WCAARITWUDITLL-HOTGVXAUSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000532690385 602070724 /nfs/dbraw/zinc/07/07/24/602070724.db2.gz WCAARITWUDITLL-IYBDPMFKSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000532690385 602070729 /nfs/dbraw/zinc/07/07/29/602070729.db2.gz WCAARITWUDITLL-IYBDPMFKSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H](c1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000737721311 602102905 /nfs/dbraw/zinc/10/29/05/602102905.db2.gz OCWJJPLRMVXMTR-HNNXBMFYSA-N 0 1 383.448 3.351 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000828258508 602108475 /nfs/dbraw/zinc/10/84/75/602108475.db2.gz SIRKHDFKNATCOK-OAHLLOKOSA-N 0 1 376.501 3.232 20 0 GGADMN O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000833322368 602113792 /nfs/dbraw/zinc/11/37/92/602113792.db2.gz MAGZNPYBVPPISZ-GOSISDBHSA-N 0 1 395.459 3.276 20 0 GGADMN C[C@@H](CC(=O)[O-])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000827255479 602128086 /nfs/dbraw/zinc/12/80/86/602128086.db2.gz FFOZVRMLTDGXQR-ZDUSSCGKSA-N 0 1 386.414 3.239 20 0 GGADMN CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828952098 602135320 /nfs/dbraw/zinc/13/53/20/602135320.db2.gz UZFQHKQZOYCUBS-VQTJNVASSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828952098 602135322 /nfs/dbraw/zinc/13/53/22/602135322.db2.gz UZFQHKQZOYCUBS-VQTJNVASSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828952094 602135554 /nfs/dbraw/zinc/13/55/54/602135554.db2.gz UZFQHKQZOYCUBS-PMACEKPBSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828952094 602135556 /nfs/dbraw/zinc/13/55/56/602135556.db2.gz UZFQHKQZOYCUBS-PMACEKPBSA-N 0 1 397.475 3.186 20 0 GGADMN COc1cc(OC)cc([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C(=O)[O-])c1 ZINC000832057476 602167348 /nfs/dbraw/zinc/16/73/48/602167348.db2.gz OYMAVMBDDVPKBL-OAQYLSRUSA-N 0 1 384.476 3.215 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057959 602170257 /nfs/dbraw/zinc/17/02/57/602170257.db2.gz TVKARNAOXFFFHA-GCJKJVERSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057959 602170259 /nfs/dbraw/zinc/17/02/59/602170259.db2.gz TVKARNAOXFFFHA-GCJKJVERSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000832057959 602170260 /nfs/dbraw/zinc/17/02/60/602170260.db2.gz TVKARNAOXFFFHA-GCJKJVERSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[O-])c1 ZINC000832049410 602175787 /nfs/dbraw/zinc/17/57/87/602175787.db2.gz HUJWPSYHXVQRMG-WVBUVRCRSA-N 0 1 398.503 3.472 20 0 GGADMN COc1cc(OC)cc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[O-])c1 ZINC000832049410 602175789 /nfs/dbraw/zinc/17/57/89/602175789.db2.gz HUJWPSYHXVQRMG-WVBUVRCRSA-N 0 1 398.503 3.472 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+]Cc2c(F)cccc2OC(F)F)C(=O)[O-])c1 ZINC000832057135 602176963 /nfs/dbraw/zinc/17/69/63/602176963.db2.gz MXWUQCAKXRSNEK-INIZCTEOSA-N 0 1 385.338 3.360 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000827247769 602177655 /nfs/dbraw/zinc/17/76/55/602177655.db2.gz QSHKJHWXGYPVJJ-ZBFHGGJFSA-N 0 1 386.414 3.010 20 0 GGADMN CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828976354 602212435 /nfs/dbraw/zinc/21/24/35/602212435.db2.gz LBDCAMWREQGONX-PMACEKPBSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828976354 602212439 /nfs/dbraw/zinc/21/24/39/602212439.db2.gz LBDCAMWREQGONX-PMACEKPBSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828976359 602212445 /nfs/dbraw/zinc/21/24/45/602212445.db2.gz LBDCAMWREQGONX-WOJBJXKFSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828976359 602212448 /nfs/dbraw/zinc/21/24/48/602212448.db2.gz LBDCAMWREQGONX-WOJBJXKFSA-N 0 1 397.475 3.186 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000826961792 602221772 /nfs/dbraw/zinc/22/17/72/602221772.db2.gz ZJNVUDJPLTXGSF-HNNXBMFYSA-N 0 1 385.464 3.155 20 0 GGADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830941380 602222411 /nfs/dbraw/zinc/22/24/11/602222411.db2.gz YJZYAUSNZUPVQZ-RTBURBONSA-N 0 1 397.475 3.394 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc12 ZINC000833257069 602223494 /nfs/dbraw/zinc/22/34/94/602223494.db2.gz MAXBNZFFZXHMAL-MSOLQXFVSA-N 0 1 383.448 3.052 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829459197 602224198 /nfs/dbraw/zinc/22/41/98/602224198.db2.gz VFDKFLAZLIPJBA-MRXNPFEDSA-N 0 1 399.491 3.499 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCCC1 ZINC000830785179 602225830 /nfs/dbraw/zinc/22/58/30/602225830.db2.gz JVDKVIUOUBWSRS-UHFFFAOYSA-N 0 1 385.464 3.299 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828257733 602225978 /nfs/dbraw/zinc/22/59/78/602225978.db2.gz JPEWLGYGKYASND-OAHLLOKOSA-N 0 1 385.464 3.299 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833010743 602228091 /nfs/dbraw/zinc/22/80/91/602228091.db2.gz KQVAQJULVFRHCB-UHFFFAOYSA-N 0 1 396.447 3.410 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000833257512 602228679 /nfs/dbraw/zinc/22/86/79/602228679.db2.gz ORAXTXGZHZPJMS-GJZGRUSLSA-N 0 1 383.448 3.052 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000833257514 602229818 /nfs/dbraw/zinc/22/98/18/602229818.db2.gz ORAXTXGZHZPJMS-LSDHHAIUSA-N 0 1 383.448 3.052 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828527368 602242194 /nfs/dbraw/zinc/24/21/94/602242194.db2.gz JIGWWQAZQQAOQH-IUODEOHRSA-N 0 1 377.387 3.022 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828527368 602242199 /nfs/dbraw/zinc/24/21/99/602242199.db2.gz JIGWWQAZQQAOQH-IUODEOHRSA-N 0 1 377.387 3.022 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C(=O)[O-])c1C ZINC000833034016 602250665 /nfs/dbraw/zinc/25/06/65/602250665.db2.gz LNOUFWNHKMGMEN-ZIAGYGMSSA-N 0 1 392.477 3.183 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(C(=O)[O-])c1C ZINC000833034016 602250668 /nfs/dbraw/zinc/25/06/68/602250668.db2.gz LNOUFWNHKMGMEN-ZIAGYGMSSA-N 0 1 392.477 3.183 20 0 GGADMN CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828951229 602274132 /nfs/dbraw/zinc/27/41/32/602274132.db2.gz GTYMDNKIVRBNSW-WOJBJXKFSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828951229 602274134 /nfs/dbraw/zinc/27/41/34/602274134.db2.gz GTYMDNKIVRBNSW-WOJBJXKFSA-N 0 1 397.475 3.186 20 0 GGADMN CCN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414629101 602282184 /nfs/dbraw/zinc/28/21/84/602282184.db2.gz TYEZXRGZUMYTEG-ACAXCVFMSA-N 0 1 387.524 3.497 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000829597008 602282537 /nfs/dbraw/zinc/28/25/37/602282537.db2.gz HKLAFDJYQSAWHT-MAUKXSAKSA-N 0 1 384.480 3.413 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000829389857 602282589 /nfs/dbraw/zinc/28/25/89/602282589.db2.gz VMEBFECIUDWUBR-IBGZPJMESA-N 0 1 390.528 3.250 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000829389578 602297341 /nfs/dbraw/zinc/29/73/41/602297341.db2.gz MQXSCVAPNOCNPP-APWZRJJASA-N 0 1 375.513 3.171 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCCC1 ZINC000386779683 602335590 /nfs/dbraw/zinc/33/55/90/602335590.db2.gz JGBXRTKFMDSKJR-UHFFFAOYSA-N 0 1 389.677 3.370 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCCC1 ZINC000386779683 602335592 /nfs/dbraw/zinc/33/55/92/602335592.db2.gz JGBXRTKFMDSKJR-UHFFFAOYSA-N 0 1 389.677 3.370 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCCC1 ZINC000833247468 602338066 /nfs/dbraw/zinc/33/80/66/602338066.db2.gz JWIZHGXYUSWMTN-HXUWFJFHSA-N 0 1 390.480 3.422 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCCC1 ZINC000833247468 602338070 /nfs/dbraw/zinc/33/80/70/602338070.db2.gz JWIZHGXYUSWMTN-HXUWFJFHSA-N 0 1 390.480 3.422 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-] ZINC000832992362 602342629 /nfs/dbraw/zinc/34/26/29/602342629.db2.gz HFUBVBCCNJIGFT-AWEZNQCLSA-N 0 1 375.494 3.044 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000833107147 602346522 /nfs/dbraw/zinc/34/65/22/602346522.db2.gz YWYFCTJQWZMSOH-DZGCQCFKSA-N 0 1 392.477 3.346 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000833107147 602346524 /nfs/dbraw/zinc/34/65/24/602346524.db2.gz YWYFCTJQWZMSOH-DZGCQCFKSA-N 0 1 392.477 3.346 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000833107091 602346628 /nfs/dbraw/zinc/34/66/28/602346628.db2.gz YAQYXGORNCXYMF-CRAIPNDOSA-N 0 1 386.448 3.285 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cc(C(=O)[O-])n(C)c3)cc2)C1 ZINC000828265378 602360215 /nfs/dbraw/zinc/36/02/15/602360215.db2.gz AUMNIZDIXTYJOX-HNNXBMFYSA-N 0 1 384.480 3.277 20 0 GGADMN Cn1cc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000833050032 602366069 /nfs/dbraw/zinc/36/60/69/602366069.db2.gz ZYJPNVLWJMDZIZ-UHFFFAOYSA-N 0 1 390.871 3.117 20 0 GGADMN Cn1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000833050032 602366072 /nfs/dbraw/zinc/36/60/72/602366072.db2.gz ZYJPNVLWJMDZIZ-UHFFFAOYSA-N 0 1 390.871 3.117 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000828168204 602371922 /nfs/dbraw/zinc/37/19/22/602371922.db2.gz NRHDFSFIWWTRQQ-QAPCUYQASA-N 0 1 384.480 3.240 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000828168200 602372140 /nfs/dbraw/zinc/37/21/40/602372140.db2.gz NRHDFSFIWWTRQQ-CRAIPNDOSA-N 0 1 384.480 3.240 20 0 GGADMN O=C([O-])Nc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000738664579 602603391 /nfs/dbraw/zinc/60/33/91/602603391.db2.gz ICVDWEGTKMXTOM-QGZVFWFLSA-N 0 1 382.464 3.463 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)[C@@H](C)C1 ZINC000737168286 602825149 /nfs/dbraw/zinc/82/51/49/602825149.db2.gz SDEJPQMYOLDTJU-WMLDXEAASA-N 0 1 378.473 3.035 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000736414013 602849458 /nfs/dbraw/zinc/84/94/58/602849458.db2.gz FTWZCMQAQLPHHO-NEWSRXKRSA-N 0 1 375.513 3.180 20 0 GGADMN CN(CC(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737405234 603148236 /nfs/dbraw/zinc/14/82/36/603148236.db2.gz FARSDUQLLDJIST-CZUORRHYSA-N 0 1 388.386 3.241 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000736532596 603283142 /nfs/dbraw/zinc/28/31/42/603283142.db2.gz MMEDBVLMEAAVBB-KRWDZBQOSA-N 0 1 385.468 3.319 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000826183520 607641238 /nfs/dbraw/zinc/64/12/38/607641238.db2.gz RPYROKSKMLLYDP-MSOLQXFVSA-N 0 1 397.479 3.337 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN(c4cc(C)cc[nH+]4)CC3)c12 ZINC000517572806 604280162 /nfs/dbraw/zinc/28/01/62/604280162.db2.gz QXSZMTKOKSSBFG-UHFFFAOYSA-N 0 1 383.477 3.036 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2)C[C@H](C)O1 ZINC000828456342 604280967 /nfs/dbraw/zinc/28/09/67/604280967.db2.gz KLHPELYWWBXBCD-KBPBESRZSA-N 0 1 386.423 3.385 20 0 GGADMN COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826180435 607684259 /nfs/dbraw/zinc/68/42/59/607684259.db2.gz HPGJWAAKJUTEIS-CHWSQXEVSA-N 0 1 380.452 3.246 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cncc(C(=O)[O-])c3)cc2)C1 ZINC000828265385 604322155 /nfs/dbraw/zinc/32/21/55/604322155.db2.gz BDLMNBRNOUCAQT-OAHLLOKOSA-N 0 1 382.464 3.333 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CSCCC(=O)[O-])c3)CC[C@H]21 ZINC000830940762 604335746 /nfs/dbraw/zinc/33/57/46/604335746.db2.gz JIYPFQQWELGKAB-FUHWJXTLSA-N 0 1 391.537 3.343 20 0 GGADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000826246998 607687523 /nfs/dbraw/zinc/68/75/23/607687523.db2.gz QWLMBLTUZHJTPM-SNVBAGLBSA-N 0 1 381.827 3.196 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)CC[C@@H]21 ZINC000830939954 604353819 /nfs/dbraw/zinc/35/38/19/604353819.db2.gz AVRHYEDYTYIFKS-BEFAXECRSA-N 0 1 397.475 3.251 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)CC[C@H]21 ZINC000830939957 604354019 /nfs/dbraw/zinc/35/40/19/604354019.db2.gz AVRHYEDYTYIFKS-DNVCBOLYSA-N 0 1 397.475 3.251 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)CC[C@@H]21 ZINC000830939969 604354270 /nfs/dbraw/zinc/35/42/70/604354270.db2.gz AVRHYEDYTYIFKS-KXBFYZLASA-N 0 1 397.475 3.251 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000830940251 604355226 /nfs/dbraw/zinc/35/52/26/604355226.db2.gz DXPIJHPGYYVLJU-IAQYHMDHSA-N 0 1 385.386 3.352 20 0 GGADMN Cn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833047325 604356385 /nfs/dbraw/zinc/35/63/85/604356385.db2.gz LRVHMLQWKKXVMW-MJGOQNOKSA-N 0 1 396.491 3.242 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000833173744 604357494 /nfs/dbraw/zinc/35/74/94/604357494.db2.gz VMOVNPFWUSJDRD-OCCSQVGLSA-N 0 1 377.699 3.277 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000833173742 604357647 /nfs/dbraw/zinc/35/76/47/604357647.db2.gz VMOVNPFWUSJDRD-JSGCOSHPSA-N 0 1 377.699 3.277 20 0 GGADMN Cc1ccc([C@H](O)C[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000832924977 604358916 /nfs/dbraw/zinc/35/89/16/604358916.db2.gz QCSVGLPHIDUCFQ-WOJBJXKFSA-N 0 1 388.895 3.125 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826088825 604374857 /nfs/dbraw/zinc/37/48/57/604374857.db2.gz CDTJMHBDYNSNDQ-UXHICEINSA-N 0 1 395.503 3.262 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000827022277 604399155 /nfs/dbraw/zinc/39/91/55/604399155.db2.gz ULMFSXHNPYBYMV-OAHLLOKOSA-N 0 1 381.270 3.307 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@@H+](C)C3(C(=O)[O-])CCCC3)cc(=O)oc2c1 ZINC000829866021 604456875 /nfs/dbraw/zinc/45/68/75/604456875.db2.gz OLNAXFXZRXUQFU-UHFFFAOYSA-N 0 1 388.420 3.191 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000832908809 604458004 /nfs/dbraw/zinc/45/80/04/604458004.db2.gz DGCXFPGKXGZJOP-UHFFFAOYSA-N 0 1 384.480 3.065 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000832908809 604458007 /nfs/dbraw/zinc/45/80/07/604458007.db2.gz DGCXFPGKXGZJOP-UHFFFAOYSA-N 0 1 384.480 3.065 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000832395096 604458591 /nfs/dbraw/zinc/45/85/91/604458591.db2.gz ZZHISMJYMSPPRT-UHFFFAOYSA-N 0 1 376.840 3.264 20 0 GGADMN C[C@H](CNc1nc[nH+]c(NC[C@@H](C)c2ccncc2)c1C(=O)[O-])c1ccncc1 ZINC000827511893 604459311 /nfs/dbraw/zinc/45/93/11/604459311.db2.gz BSYRRRFISVTYTI-HUUCEWRRSA-N 0 1 392.463 3.396 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000575755157 604461100 /nfs/dbraw/zinc/46/11/00/604461100.db2.gz BWUODFXUMSCXRN-SUMWQHHRSA-N 0 1 376.478 3.474 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000575755155 604461331 /nfs/dbraw/zinc/46/13/31/604461331.db2.gz BWUODFXUMSCXRN-DYVFJYSZSA-N 0 1 376.478 3.474 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791270 604461493 /nfs/dbraw/zinc/46/14/93/604461493.db2.gz SIRBSXZDQUPFPB-DYVFJYSZSA-N 0 1 389.452 3.216 20 0 GGADMN Cc1ccc(NCCCNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[nH+]c1 ZINC000832952257 604464065 /nfs/dbraw/zinc/46/40/65/604464065.db2.gz VVHNCWWTDLFKHE-SFHVURJKSA-N 0 1 384.480 3.343 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1(C(=O)[O-])CCCC1 ZINC000830682373 604464941 /nfs/dbraw/zinc/46/49/41/604464941.db2.gz WZZKKCGEHBUTEN-UHFFFAOYSA-N 0 1 376.787 3.209 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000832040554 604468280 /nfs/dbraw/zinc/46/82/80/604468280.db2.gz GPIZOUCETLKIPS-DOHHPOSVSA-N 0 1 376.497 3.167 20 0 GGADMN C[N@@H+](CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000830785150 604471647 /nfs/dbraw/zinc/47/16/47/604471647.db2.gz HQUQEOUXXGKMTC-IBGZPJMESA-N 0 1 383.492 3.270 20 0 GGADMN CCc1csc([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(C(=O)OC)c3)C2)n1 ZINC000833676807 604473741 /nfs/dbraw/zinc/47/37/41/604473741.db2.gz TZRDTUOJYAXNGI-RDJZCZTQSA-N 0 1 388.489 3.497 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000832040209 604474723 /nfs/dbraw/zinc/47/47/23/604474723.db2.gz AHEDJRNLRSEBBM-XGHQBKJUSA-N 0 1 390.524 3.416 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000832393912 604478908 /nfs/dbraw/zinc/47/89/08/604478908.db2.gz JKXKQGPASXTXTQ-SFHVURJKSA-N 0 1 376.840 3.435 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000833701388 604479220 /nfs/dbraw/zinc/47/92/20/604479220.db2.gz JEXCYIZHNRNSNV-AABGKKOBSA-N 0 1 383.444 3.187 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000833701388 604479223 /nfs/dbraw/zinc/47/92/23/604479223.db2.gz JEXCYIZHNRNSNV-AABGKKOBSA-N 0 1 383.444 3.187 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000832040250 604480127 /nfs/dbraw/zinc/48/01/27/604480127.db2.gz BKHXJDYIFDSTPS-RXVVDRJESA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000832040250 604480128 /nfs/dbraw/zinc/48/01/28/604480128.db2.gz BKHXJDYIFDSTPS-RXVVDRJESA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000832040250 604480129 /nfs/dbraw/zinc/48/01/29/604480129.db2.gz BKHXJDYIFDSTPS-RXVVDRJESA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040270 604481164 /nfs/dbraw/zinc/48/11/64/604481164.db2.gz BNKVTEIFRJFFML-XMSQKQJNSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000832040270 604481165 /nfs/dbraw/zinc/48/11/65/604481165.db2.gz BNKVTEIFRJFFML-XMSQKQJNSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000832040270 604481168 /nfs/dbraw/zinc/48/11/68/604481168.db2.gz BNKVTEIFRJFFML-XMSQKQJNSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832040270 604481170 /nfs/dbraw/zinc/48/11/70/604481170.db2.gz BNKVTEIFRJFFML-XMSQKQJNSA-N 0 1 398.503 3.283 20 0 GGADMN COc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1Cl ZINC000832394934 604481382 /nfs/dbraw/zinc/48/13/82/604481382.db2.gz XFYWTSUKWRZQHP-LJQANCHMSA-N 0 1 388.851 3.361 20 0 GGADMN O=C([O-])[C@]1(F)CC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000833100062 604482116 /nfs/dbraw/zinc/48/21/16/604482116.db2.gz NBTSROXEASGMPC-NRFANRHFSA-N 0 1 386.423 3.093 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC000828160194 604486177 /nfs/dbraw/zinc/48/61/77/604486177.db2.gz FUQCNRPRTITGBC-QKLQHJQFSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828450104 604487171 /nfs/dbraw/zinc/48/71/71/604487171.db2.gz OJENSRVKZBSFIY-JXFKEZNVSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828450105 604487592 /nfs/dbraw/zinc/48/75/92/604487592.db2.gz OJENSRVKZBSFIY-OXJNMPFZSA-N 0 1 382.460 3.247 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c(C(=O)[O-])c1C ZINC000833034056 604488430 /nfs/dbraw/zinc/48/84/30/604488430.db2.gz NNDXZJUZVRVSOJ-LLVKDONJSA-N 0 1 376.478 3.270 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1)C(=O)[O-] ZINC000833537855 604519098 /nfs/dbraw/zinc/51/90/98/604519098.db2.gz PFRWTZGLBXMWPI-CYBMUJFWSA-N 0 1 376.840 3.262 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1)C(=O)[O-] ZINC000833537855 604519104 /nfs/dbraw/zinc/51/91/04/604519104.db2.gz PFRWTZGLBXMWPI-CYBMUJFWSA-N 0 1 376.840 3.262 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000826096667 604521988 /nfs/dbraw/zinc/52/19/88/604521988.db2.gz ZGBNAQQOVMOLSK-KRWDZBQOSA-N 0 1 375.513 3.354 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1)C(=O)[O-] ZINC000833537538 604522931 /nfs/dbraw/zinc/52/29/31/604522931.db2.gz KWZCPZOJFUNOTI-QGZVFWFLSA-N 0 1 384.476 3.007 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830756307 604523585 /nfs/dbraw/zinc/52/35/85/604523585.db2.gz YJTUTMOQPCOABM-ROUUACIJSA-N 0 1 375.513 3.354 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830756310 604523704 /nfs/dbraw/zinc/52/37/04/604523704.db2.gz YJTUTMOQPCOABM-ZWKOTPCHSA-N 0 1 375.513 3.354 20 0 GGADMN COc1ccc(C)cc1CN1CC[NH+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833730482 604524102 /nfs/dbraw/zinc/52/41/02/604524102.db2.gz CFKIDTKHCCTRAA-GOSISDBHSA-N 0 1 398.503 3.173 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833730482 604524103 /nfs/dbraw/zinc/52/41/03/604524103.db2.gz CFKIDTKHCCTRAA-GOSISDBHSA-N 0 1 398.503 3.173 20 0 GGADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000830713164 604525191 /nfs/dbraw/zinc/52/51/91/604525191.db2.gz DWEYBUKJTUSSBK-IEBWSBKVSA-N 0 1 387.524 3.212 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543627 604525612 /nfs/dbraw/zinc/52/56/12/604525612.db2.gz TWAQZDAHSYHVND-KRWDZBQOSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@H](Oc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543627 604525616 /nfs/dbraw/zinc/52/56/16/604525616.db2.gz TWAQZDAHSYHVND-KRWDZBQOSA-N 0 1 386.467 3.386 20 0 GGADMN C[C@H](Oc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000833543627 604525621 /nfs/dbraw/zinc/52/56/21/604525621.db2.gz TWAQZDAHSYHVND-KRWDZBQOSA-N 0 1 386.467 3.386 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833439261 604530985 /nfs/dbraw/zinc/53/09/85/604530985.db2.gz MGHMTZUMKVPYCK-NVXWUHKLSA-N 0 1 377.485 3.324 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829457809 604534719 /nfs/dbraw/zinc/53/47/19/604534719.db2.gz DSTIGMLRURGKSJ-SJLPKXTDSA-N 0 1 375.513 3.212 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000833538782 604535205 /nfs/dbraw/zinc/53/52/05/604535205.db2.gz VOANUSJGOXERHN-ZDUSSCGKSA-N 0 1 376.840 3.262 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000833538782 604535207 /nfs/dbraw/zinc/53/52/07/604535207.db2.gz VOANUSJGOXERHN-ZDUSSCGKSA-N 0 1 376.840 3.262 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544070 604537558 /nfs/dbraw/zinc/53/75/58/604537558.db2.gz WRBIHNNMYBXMIT-GOEBONIOSA-N 0 1 378.469 3.028 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1)C(=O)[O-] ZINC000833537418 604541945 /nfs/dbraw/zinc/54/19/45/604541945.db2.gz KGWWVPSSXLFFPS-OAHLLOKOSA-N 0 1 382.460 3.063 20 0 GGADMN O=C([O-])c1cc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c[nH]1 ZINC000833766593 604542665 /nfs/dbraw/zinc/54/26/65/604542665.db2.gz XNWDVRULNXHIAB-UHFFFAOYSA-N 0 1 393.443 3.401 20 0 GGADMN O=C([O-])c1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c[nH]1 ZINC000833766593 604542667 /nfs/dbraw/zinc/54/26/67/604542667.db2.gz XNWDVRULNXHIAB-UHFFFAOYSA-N 0 1 393.443 3.401 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550673 604559944 /nfs/dbraw/zinc/55/99/44/604559944.db2.gz YFEGQXKQGWVGFN-OXJNMPFZSA-N 0 1 381.476 3.062 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833630244 604564638 /nfs/dbraw/zinc/56/46/38/604564638.db2.gz QMAMMUGIXAHUPO-UTKZUKDTSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833601525 604564819 /nfs/dbraw/zinc/56/48/19/604564819.db2.gz VWFBQKGAYLWSQD-DYESRHJHSA-N 0 1 395.503 3.280 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000833486821 604579090 /nfs/dbraw/zinc/57/90/90/604579090.db2.gz RUJNROQPRAQMBK-UHFFFAOYSA-N 0 1 387.480 3.181 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833615576 604601060 /nfs/dbraw/zinc/60/10/60/604601060.db2.gz OFHKQSPSBSKEDC-PKOBYXMFSA-N 0 1 387.524 3.223 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833542810 604612656 /nfs/dbraw/zinc/61/26/56/604612656.db2.gz SSWNTYVPFDDIRY-RDJZCZTQSA-N 0 1 392.496 3.418 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833757273 604618846 /nfs/dbraw/zinc/61/88/46/604618846.db2.gz WRYJMGYLHCMRAF-AWEZNQCLSA-N 0 1 398.488 3.208 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833756410 604619162 /nfs/dbraw/zinc/61/91/62/604619162.db2.gz KXWFOKSKTOVNSA-SFHVURJKSA-N 0 1 392.459 3.146 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833757274 604619299 /nfs/dbraw/zinc/61/92/99/604619299.db2.gz WRYJMGYLHCMRAF-CQSZACIVSA-N 0 1 398.488 3.208 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1)C(=O)[O-] ZINC000833536265 604619650 /nfs/dbraw/zinc/61/96/50/604619650.db2.gz AIJKYQPALPCRAT-GOSISDBHSA-N 0 1 397.519 3.072 20 0 GGADMN O=C([O-])c1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c[nH]1 ZINC000833779201 604621430 /nfs/dbraw/zinc/62/14/30/604621430.db2.gz KRPCTBRUEYINFR-UHFFFAOYSA-N 0 1 376.844 3.106 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833537363 604621793 /nfs/dbraw/zinc/62/17/93/604621793.db2.gz IVDVKKULESTRSW-KRWDZBQOSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000833537364 604621990 /nfs/dbraw/zinc/62/19/90/604621990.db2.gz IVDVKKULESTRSW-QGZVFWFLSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1)C(=O)[O-] ZINC000833540841 604622431 /nfs/dbraw/zinc/62/24/31/604622431.db2.gz LKAXNHNQBWSJJM-HKUYNNGSSA-N 0 1 396.487 3.181 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000833541178 604623174 /nfs/dbraw/zinc/62/31/74/604623174.db2.gz MBTPRZLMBNOIIZ-FXAWDEMLSA-N 0 1 396.487 3.323 20 0 GGADMN CN(C)C(=O)c1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000833687575 604627537 /nfs/dbraw/zinc/62/75/37/604627537.db2.gz WELSXDJBJALLAJ-OAHLLOKOSA-N 0 1 384.263 3.281 20 0 GGADMN CN(C)C(=O)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000833687575 604627540 /nfs/dbraw/zinc/62/75/40/604627540.db2.gz WELSXDJBJALLAJ-OAHLLOKOSA-N 0 1 384.263 3.281 20 0 GGADMN CN(C)C(=O)c1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000833687574 604627764 /nfs/dbraw/zinc/62/77/64/604627764.db2.gz WELSXDJBJALLAJ-HNNXBMFYSA-N 0 1 384.263 3.281 20 0 GGADMN CN(C)C(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000833687574 604627766 /nfs/dbraw/zinc/62/77/66/604627766.db2.gz WELSXDJBJALLAJ-HNNXBMFYSA-N 0 1 384.263 3.281 20 0 GGADMN Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000666580705 604629400 /nfs/dbraw/zinc/62/94/00/604629400.db2.gz PBVXCRIHZHNAME-HXUWFJFHSA-N 0 1 377.444 3.133 20 0 GGADMN Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000666580705 604629403 /nfs/dbraw/zinc/62/94/03/604629403.db2.gz PBVXCRIHZHNAME-HXUWFJFHSA-N 0 1 377.444 3.133 20 0 GGADMN C[C@@H](Oc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538625 604639128 /nfs/dbraw/zinc/63/91/28/604639128.db2.gz UEKGFTBKMDQMSW-NQIIRXRSSA-N 0 1 382.504 3.492 20 0 GGADMN C[C@@H](Oc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538625 604639132 /nfs/dbraw/zinc/63/91/32/604639132.db2.gz UEKGFTBKMDQMSW-NQIIRXRSSA-N 0 1 382.504 3.492 20 0 GGADMN C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694820 604645129 /nfs/dbraw/zinc/64/51/29/604645129.db2.gz QSXAHPKKJXLKJN-MRXNPFEDSA-N 0 1 392.249 3.478 20 0 GGADMN COc1cc(F)ccc1N1CC[NH+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833729995 604653646 /nfs/dbraw/zinc/65/36/46/604653646.db2.gz WJGBVDXRXRKGBN-OAHLLOKOSA-N 0 1 388.439 3.008 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000248534839 604669949 /nfs/dbraw/zinc/66/99/49/604669949.db2.gz JQQBSHOUHFVKTI-FZZIBODNSA-N 0 1 381.354 3.372 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833696575 604676121 /nfs/dbraw/zinc/67/61/21/604676121.db2.gz NVJXVRFQUAXRQS-SFHVURJKSA-N 0 1 392.377 3.254 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544515 604683335 /nfs/dbraw/zinc/68/33/35/604683335.db2.gz ZDIIZFWWIPXYCY-RDJZCZTQSA-N 0 1 392.496 3.370 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1)C(=O)[O-] ZINC000833536788 604683683 /nfs/dbraw/zinc/68/36/83/604683683.db2.gz FICOBGVJXQADFZ-USBFQFRLSA-N 0 1 375.490 3.469 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)CCc3ccccc3C(=O)[O-])cc2)CC1 ZINC000833697159 604714454 /nfs/dbraw/zinc/71/44/54/604714454.db2.gz BTGLUFJIGCOUNM-UHFFFAOYSA-N 0 1 381.476 3.098 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833549115 604729162 /nfs/dbraw/zinc/72/91/62/604729162.db2.gz ADTYFWXWHQGASP-SECBINFHSA-N 0 1 386.235 3.016 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000827449457 604738939 /nfs/dbraw/zinc/73/89/39/604738939.db2.gz KQFALFQREVGBSH-SECBINFHSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@H](c1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000833548396 604741017 /nfs/dbraw/zinc/74/10/17/604741017.db2.gz OWOBBCQHSCRLTI-MRXNPFEDSA-N 0 1 382.460 3.349 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449656 604742654 /nfs/dbraw/zinc/74/26/54/604742654.db2.gz NIZYTTJWOUUHRE-QVKFZJNVSA-N 0 1 398.528 3.407 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449657 604742943 /nfs/dbraw/zinc/74/29/43/604742943.db2.gz NIZYTTJWOUUHRE-VFNWGFHPSA-N 0 1 398.528 3.407 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCC2)c(C(=O)[O-])c1C ZINC000831476606 604753893 /nfs/dbraw/zinc/75/38/93/604753893.db2.gz YRKNZBRFDORRLI-CYBMUJFWSA-N 0 1 394.493 3.134 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)C[C@@H](C)O1 ZINC000833628795 604755200 /nfs/dbraw/zinc/75/52/00/604755200.db2.gz BEJACWSJPJUDSA-HZPDHXFCSA-N 0 1 382.460 3.175 20 0 GGADMN CCn1cnnc1C1CC[NH+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000830436155 604758825 /nfs/dbraw/zinc/75/88/25/604758825.db2.gz XCHWRWZEHFFNKQ-UHFFFAOYSA-N 0 1 397.504 3.499 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544493 604759563 /nfs/dbraw/zinc/75/95/63/604759563.db2.gz YQOCZWAVYXMZOZ-RDJZCZTQSA-N 0 1 377.481 3.482 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000833286362 604760965 /nfs/dbraw/zinc/76/09/65/604760965.db2.gz QSXUSMYVJDFIHR-LJQANCHMSA-N 0 1 381.476 3.347 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CCC[C@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000832853069 604762626 /nfs/dbraw/zinc/76/26/26/604762626.db2.gz RDIXFESSGJPACJ-OAHLLOKOSA-N 0 1 397.500 3.446 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CCC[C@H](Cc4ccccc4)C3)nc(=O)c12 ZINC000832853069 604762627 /nfs/dbraw/zinc/76/26/27/604762627.db2.gz RDIXFESSGJPACJ-OAHLLOKOSA-N 0 1 397.500 3.446 20 0 GGADMN O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000833771014 604763265 /nfs/dbraw/zinc/76/32/65/604763265.db2.gz SZNBUHJNLYAPGR-CYBMUJFWSA-N 0 1 385.304 3.382 20 0 GGADMN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H](Cc3ccccc3)C1)[nH]c2=O ZINC000833325020 604763777 /nfs/dbraw/zinc/76/37/77/604763777.db2.gz IRVQZCCZEIRMJQ-INIZCTEOSA-N 0 1 377.444 3.488 20 0 GGADMN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](Cc3ccccc3)C1)[nH]c2=O ZINC000833325020 604763779 /nfs/dbraw/zinc/76/37/79/604763779.db2.gz IRVQZCCZEIRMJQ-INIZCTEOSA-N 0 1 377.444 3.488 20 0 GGADMN O=C([O-])CC[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@H]1CCCO1 ZINC000579602458 604763847 /nfs/dbraw/zinc/76/38/47/604763847.db2.gz FLNIQUQPMNYKHM-GOSISDBHSA-N 0 1 379.460 3.457 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC000833537402 604773061 /nfs/dbraw/zinc/77/30/61/604773061.db2.gz JYKXOXFEBAKPPQ-ZOBUZTSGSA-N 0 1 392.496 3.274 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833537399 604773124 /nfs/dbraw/zinc/77/31/24/604773124.db2.gz JYKXOXFEBAKPPQ-HLLBOEOZSA-N 0 1 392.496 3.274 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537012 604775010 /nfs/dbraw/zinc/77/50/10/604775010.db2.gz FXDOZEMHJTXERF-IOHHAYIISA-N 0 1 377.387 3.125 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537012 604775012 /nfs/dbraw/zinc/77/50/12/604775012.db2.gz FXDOZEMHJTXERF-IOHHAYIISA-N 0 1 377.387 3.125 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)c1ccccc1 ZINC000829608812 604784975 /nfs/dbraw/zinc/78/49/75/604784975.db2.gz QEIYIMRJTFRULE-NRFANRHFSA-N 0 1 395.503 3.481 20 0 GGADMN O=C([O-])CCC[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1 ZINC000833225697 604786888 /nfs/dbraw/zinc/78/68/88/604786888.db2.gz IORKEJLONOEIHQ-UHFFFAOYSA-N 0 1 386.517 3.390 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)Cc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833592613 604794729 /nfs/dbraw/zinc/79/47/29/604794729.db2.gz SAXYFHVITCDPIE-YLJYHZDGSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)Cc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833592608 604794774 /nfs/dbraw/zinc/79/47/74/604794774.db2.gz SAXYFHVITCDPIE-PXNSSMCTSA-N 0 1 380.488 3.344 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000829142666 604797461 /nfs/dbraw/zinc/79/74/61/604797461.db2.gz VTGREWLZEFPILR-CSMYWGQOSA-N 0 1 387.307 3.162 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000570572552 604800419 /nfs/dbraw/zinc/80/04/19/604800419.db2.gz AHUFQWXYCWFFDL-UKRRQHHQSA-N 0 1 386.521 3.459 20 0 GGADMN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000833226760 604803231 /nfs/dbraw/zinc/80/32/31/604803231.db2.gz FBGPAHINMZWJCY-UHFFFAOYSA-N 0 1 385.851 3.215 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833547264 604809051 /nfs/dbraw/zinc/80/90/51/604809051.db2.gz AHGVESQXMQASKE-KKSFZXQISA-N 0 1 393.487 3.288 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2Cl)CC1 ZINC000830960543 604816185 /nfs/dbraw/zinc/81/61/85/604816185.db2.gz QWSFRVHODDVKLG-UHFFFAOYSA-N 0 1 391.830 3.181 20 0 GGADMN 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ZINC000826885772 604847897 /nfs/dbraw/zinc/84/78/97/604847897.db2.gz INLKOUQAYAPNDX-QGZVFWFLSA-N 0 1 393.553 3.494 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000826885770 604847922 /nfs/dbraw/zinc/84/79/22/604847922.db2.gz INLKOUQAYAPNDX-KRWDZBQOSA-N 0 1 393.553 3.494 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000826885598 604851878 /nfs/dbraw/zinc/85/18/78/604851878.db2.gz CYOJEPRKACXZCV-CQSZACIVSA-N 0 1 397.903 3.293 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000737561206 604856849 /nfs/dbraw/zinc/85/68/49/604856849.db2.gz CVYZWWWQGOXYEQ-BBRMVZONSA-N 0 1 387.505 3.145 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000737561206 604856852 /nfs/dbraw/zinc/85/68/52/604856852.db2.gz CVYZWWWQGOXYEQ-BBRMVZONSA-N 0 1 387.505 3.145 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000737561212 604856906 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ZINC000833755241 605116395 /nfs/dbraw/zinc/11/63/95/605116395.db2.gz GCKFSSWXZOLWBO-CYBMUJFWSA-N 0 1 379.526 3.120 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CCCC1 ZINC000322865696 605126128 /nfs/dbraw/zinc/12/61/28/605126128.db2.gz WKZXBQXZQWOUGD-UHFFFAOYSA-N 0 1 384.274 3.143 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833488244 605129761 /nfs/dbraw/zinc/12/97/61/605129761.db2.gz KZZNPSDNTHMPKA-LBPRGKRZSA-N 0 1 398.301 3.247 20 0 GGADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C[C@@H](C)O1 ZINC000833627881 605130059 /nfs/dbraw/zinc/13/00/59/605130059.db2.gz WSYCGXWHMWOSBB-NFAWXSAZSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC[N@H+]1C ZINC000833595775 605132155 /nfs/dbraw/zinc/13/21/55/605132155.db2.gz HTBIVGCELIAXCS-CMPLNLGQSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000833622843 605134956 /nfs/dbraw/zinc/13/49/56/605134956.db2.gz 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ZINC000833613079 605175462 /nfs/dbraw/zinc/17/54/62/605175462.db2.gz CGRFKNYOYWGKQP-HNNXBMFYSA-N 0 1 382.464 3.333 20 0 GGADMN C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000833564461 605193398 /nfs/dbraw/zinc/19/33/98/605193398.db2.gz VBYQKFZCJIOWTG-KRWDZBQOSA-N 0 1 389.279 3.257 20 0 GGADMN C[C@@]1(CCCO)CCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000833564461 605193401 /nfs/dbraw/zinc/19/34/01/605193401.db2.gz VBYQKFZCJIOWTG-KRWDZBQOSA-N 0 1 389.279 3.257 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463686 605202877 /nfs/dbraw/zinc/20/28/77/605202877.db2.gz PXVKYZSUIALDRX-CJNGLKHVSA-N 0 1 397.313 3.059 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000833618911 605206555 /nfs/dbraw/zinc/20/65/55/605206555.db2.gz GTVDCZSTKOYAEK-YRNRMSPPSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000833618911 605206563 /nfs/dbraw/zinc/20/65/63/605206563.db2.gz GTVDCZSTKOYAEK-YRNRMSPPSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000833618911 605206566 /nfs/dbraw/zinc/20/65/66/605206566.db2.gz GTVDCZSTKOYAEK-YRNRMSPPSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000833627294 605206591 /nfs/dbraw/zinc/20/65/91/605206591.db2.gz WNHUILVBFRQKJR-CYBMUJFWSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000833627294 605206595 /nfs/dbraw/zinc/20/65/95/605206595.db2.gz WNHUILVBFRQKJR-CYBMUJFWSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000833618909 605206592 /nfs/dbraw/zinc/20/65/92/605206592.db2.gz GTVDCZSTKOYAEK-JXXFODFXSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000833618909 605206597 /nfs/dbraw/zinc/20/65/97/605206597.db2.gz GTVDCZSTKOYAEK-JXXFODFXSA-N 0 1 399.491 3.113 20 0 GGADMN CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833468849 605206699 /nfs/dbraw/zinc/20/66/99/605206699.db2.gz LSRQZNGCSDMWBD-HNNXBMFYSA-N 0 1 399.491 3.413 20 0 GGADMN Cc1nc(C)n([C@H]2CCC[N@H+](Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)C2)n1 ZINC000833755124 605210183 /nfs/dbraw/zinc/21/01/83/605210183.db2.gz AJUFRMMTHNGOFS-SFHVURJKSA-N 0 1 381.436 3.085 20 0 GGADMN Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)C2)n1 ZINC000833755124 605210187 /nfs/dbraw/zinc/21/01/87/605210187.db2.gz AJUFRMMTHNGOFS-SFHVURJKSA-N 0 1 381.436 3.085 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263198480 605213498 /nfs/dbraw/zinc/21/34/98/605213498.db2.gz HCPGPGPEXXRIQT-RDJZCZTQSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263198480 605213500 /nfs/dbraw/zinc/21/35/00/605213500.db2.gz HCPGPGPEXXRIQT-RDJZCZTQSA-N 0 1 385.867 3.167 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000833678154 605215720 /nfs/dbraw/zinc/21/57/20/605215720.db2.gz JXHXQQGGFJOTOH-AWEZNQCLSA-N 0 1 382.254 3.468 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC000833437247 605222184 /nfs/dbraw/zinc/22/21/84/605222184.db2.gz PYNRCJPGHVQPMD-CVEARBPZSA-N 0 1 378.444 3.498 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000833593330 605223879 /nfs/dbraw/zinc/22/38/79/605223879.db2.gz WFUQDCZPOXUZFK-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000833773454 605226575 /nfs/dbraw/zinc/22/65/75/605226575.db2.gz OGCCGDGLMIPDRE-UHFFFAOYSA-N 0 1 387.293 3.050 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833499348 605233556 /nfs/dbraw/zinc/23/35/56/605233556.db2.gz LEZILXLZYNMOSL-CABCVRRESA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833499348 605233559 /nfs/dbraw/zinc/23/35/59/605233559.db2.gz LEZILXLZYNMOSL-CABCVRRESA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)CC(=O)[O-])C1 ZINC000833436070 605235283 /nfs/dbraw/zinc/23/52/83/605235283.db2.gz CFWYHIPEWJMQEX-SFHVURJKSA-N 0 1 376.497 3.263 20 0 GGADMN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833431710 605243938 /nfs/dbraw/zinc/24/39/38/605243938.db2.gz UYOCWRNFNGRAJR-HOCLYGCPSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCNC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833431710 605243941 /nfs/dbraw/zinc/24/39/41/605243941.db2.gz UYOCWRNFNGRAJR-HOCLYGCPSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833431708 605244023 /nfs/dbraw/zinc/24/40/23/605244023.db2.gz UYOCWRNFNGRAJR-GOEBONIOSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833431708 605244025 /nfs/dbraw/zinc/24/40/25/605244025.db2.gz UYOCWRNFNGRAJR-GOEBONIOSA-N 0 1 385.867 3.167 20 0 GGADMN C[C@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000833514545 605250378 /nfs/dbraw/zinc/25/03/78/605250378.db2.gz UCJKLPZWICEHBA-ZIAGYGMSSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000833514543 605250613 /nfs/dbraw/zinc/25/06/13/605250613.db2.gz UCJKLPZWICEHBA-KGLIPLIRSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)C[C@H](C)O1 ZINC000833629713 605251032 /nfs/dbraw/zinc/25/10/32/605251032.db2.gz LSPKVUZFKSORNS-IYBDPMFKSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)C[C@H](C)O1 ZINC000833629713 605251033 /nfs/dbraw/zinc/25/10/33/605251033.db2.gz LSPKVUZFKSORNS-IYBDPMFKSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833620957 605252324 /nfs/dbraw/zinc/25/23/24/605252324.db2.gz ISAJJKPPBCIMHA-CQSZACIVSA-N 0 1 394.562 3.176 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833620955 605252653 /nfs/dbraw/zinc/25/26/53/605252653.db2.gz ISAJJKPPBCIMHA-AWEZNQCLSA-N 0 1 394.562 3.176 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833619130 605256162 /nfs/dbraw/zinc/25/61/62/605256162.db2.gz SLQWSSFPSAQOTN-XBFCOCLRSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620249 605256659 /nfs/dbraw/zinc/25/66/59/605256659.db2.gz GBJMJNBVVSWZFV-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[N@H+]1CCC(=O)[O-] ZINC000833620249 605256663 /nfs/dbraw/zinc/25/66/63/605256663.db2.gz GBJMJNBVVSWZFV-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620347 605256814 /nfs/dbraw/zinc/25/68/14/605256814.db2.gz GXGMKZAGQYAJRV-CYBMUJFWSA-N 0 1 376.840 3.221 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[N@H+]1CCC(=O)[O-] ZINC000833620347 605256815 /nfs/dbraw/zinc/25/68/15/605256815.db2.gz GXGMKZAGQYAJRV-CYBMUJFWSA-N 0 1 376.840 3.221 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)Cc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000833591353 605263658 /nfs/dbraw/zinc/26/36/58/605263658.db2.gz LCFSPGZUDGRNEI-IEBWSBKVSA-N 0 1 380.488 3.344 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755136 605265255 /nfs/dbraw/zinc/26/52/55/605265255.db2.gz ASXNYRXIVGVBIL-WMLDXEAASA-N 0 1 396.413 3.452 20 0 GGADMN Cc1nc(C)n([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755539 605265262 /nfs/dbraw/zinc/26/52/62/605265262.db2.gz QPQGFOSNEGLQHC-CJNGLKHVSA-N 0 1 382.386 3.377 20 0 GGADMN Cc1nc(C)n([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755540 605265267 /nfs/dbraw/zinc/26/52/67/605265267.db2.gz QPQGFOSNEGLQHC-CZUORRHYSA-N 0 1 382.386 3.377 20 0 GGADMN Cc1nc(C)n([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755541 605265280 /nfs/dbraw/zinc/26/52/80/605265280.db2.gz QPQGFOSNEGLQHC-XJKSGUPXSA-N 0 1 382.386 3.377 20 0 GGADMN CN(C(=O)C[NH2+][C@@H](CN1CCCCC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686550 605269621 /nfs/dbraw/zinc/26/96/21/605269621.db2.gz ZDPQRCVJPSPBLX-FQEVSTJZSA-N 0 1 395.503 3.164 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)c1cncc(F)c1 ZINC000833617469 605270171 /nfs/dbraw/zinc/27/01/71/605270171.db2.gz RXXNKBVQXBRUME-WDEREUQCSA-N 0 1 391.468 3.395 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)c1cncc(F)c1 ZINC000833617468 605270179 /nfs/dbraw/zinc/27/01/79/605270179.db2.gz RXXNKBVQXBRUME-QWRGUYRKSA-N 0 1 391.468 3.395 20 0 GGADMN C[C@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC[C@H]1C(=O)[O-] ZINC000833566621 605273098 /nfs/dbraw/zinc/27/30/98/605273098.db2.gz BQVIUSFTWLWTAS-MMOPVJDHSA-N 0 1 376.472 3.187 20 0 GGADMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@@H](C)C2)sc1-c1ccc(F)cc1 ZINC000833742207 605275538 /nfs/dbraw/zinc/27/55/38/605275538.db2.gz IAKNIXZSXJXKMS-AWEZNQCLSA-N 0 1 390.480 3.484 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)sc1-c1ccc(F)cc1 ZINC000833742207 605275542 /nfs/dbraw/zinc/27/55/42/605275542.db2.gz IAKNIXZSXJXKMS-AWEZNQCLSA-N 0 1 390.480 3.484 20 0 GGADMN C[C@@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000833514361 605275728 /nfs/dbraw/zinc/27/57/28/605275728.db2.gz RNJSEIIKIQTWDT-UONOGXRCSA-N 0 1 386.414 3.206 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000833742806 605277322 /nfs/dbraw/zinc/27/73/22/605277322.db2.gz WIMLFTWPERNTRT-QZTJIDSGSA-N 0 1 397.519 3.335 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000833742808 605277744 /nfs/dbraw/zinc/27/77/44/605277744.db2.gz WIMLFTWPERNTRT-ZWKOTPCHSA-N 0 1 397.519 3.335 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)Cc1ccc(F)cc1 ZINC000833693608 605283075 /nfs/dbraw/zinc/28/30/75/605283075.db2.gz HECWCANMMWMGER-UHFFFAOYSA-N 0 1 378.379 3.308 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)[NH+]1CCOCC1 ZINC000833642153 605283097 /nfs/dbraw/zinc/28/30/97/605283097.db2.gz GPSNLYYCLDYEPT-QGZVFWFLSA-N 0 1 396.463 3.174 20 0 GGADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000833623307 605283121 /nfs/dbraw/zinc/28/31/21/605283121.db2.gz JWNFZHCLWRALIV-NFAWXSAZSA-N 0 1 394.447 3.021 20 0 GGADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000833623308 605283274 /nfs/dbraw/zinc/28/32/74/605283274.db2.gz JWNFZHCLWRALIV-UMVBOHGHSA-N 0 1 394.447 3.021 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000653287469 605312133 /nfs/dbraw/zinc/31/21/33/605312133.db2.gz WEVBIRGYNCXULK-SJLPKXTDSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000653287469 605312140 /nfs/dbraw/zinc/31/21/40/605312140.db2.gz WEVBIRGYNCXULK-SJLPKXTDSA-N 0 1 389.402 3.012 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCN([C@H](C)c3nc4ccccc4s3)CC2)O1 ZINC000833577704 605316539 /nfs/dbraw/zinc/31/65/39/605316539.db2.gz GHWKDZVEMJNKFJ-HIFRSBDPSA-N 0 1 387.505 3.122 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC000833728691 605358918 /nfs/dbraw/zinc/35/89/18/605358918.db2.gz JLXGCFBGLHYUFH-OAHLLOKOSA-N 0 1 393.480 3.460 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)O1 ZINC000833583861 605361187 /nfs/dbraw/zinc/36/11/87/605361187.db2.gz KLZFXQKYDMJIAM-GDBMZVCRSA-N 0 1 387.411 3.203 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)O1 ZINC000833582490 605368424 /nfs/dbraw/zinc/36/84/24/605368424.db2.gz DDMGBUHMTCFWNO-WOJBJXKFSA-N 0 1 394.471 3.182 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)O1 ZINC000833582480 605369134 /nfs/dbraw/zinc/36/91/34/605369134.db2.gz DDMGBUHMTCFWNO-PMACEKPBSA-N 0 1 394.471 3.182 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833603797 605373434 /nfs/dbraw/zinc/37/34/34/605373434.db2.gz QDEFEGAGNNYXJW-ZRGWGRIASA-N 0 1 397.922 3.095 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833420178 605374021 /nfs/dbraw/zinc/37/40/21/605374021.db2.gz CFOBDHVZDQGWES-BLLLJJGKSA-N 0 1 384.879 3.479 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3c(F)cccc3Cl)C2)n1 ZINC000833755546 605375067 /nfs/dbraw/zinc/37/50/67/605375067.db2.gz QQKSUBGDQZZYQT-SUMWQHHRSA-N 0 1 380.851 3.225 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833495929 605384422 /nfs/dbraw/zinc/38/44/22/605384422.db2.gz GTQURLYEBOBVJN-UHFFFAOYSA-N 0 1 375.513 3.361 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000652499608 605387659 /nfs/dbraw/zinc/38/76/59/605387659.db2.gz DTUOQLREWIMQRX-UONOGXRCSA-N 0 1 389.414 3.268 20 0 GGADMN C[C@H]1C[C@H](NC(=O)NCC2(C(=O)[O-])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000833601899 605404758 /nfs/dbraw/zinc/40/47/58/605404758.db2.gz XJELSXKLCSHUTO-PKOBYXMFSA-N 0 1 387.524 3.374 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3CC(=O)[O-])C[C@@H]21 ZINC000833439214 605428576 /nfs/dbraw/zinc/42/85/76/605428576.db2.gz PRIXWCGSSQUSIL-CEXWTWQISA-N 0 1 388.508 3.439 20 0 GGADMN CC1([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)OCCO1 ZINC000833564702 605441404 /nfs/dbraw/zinc/44/14/04/605441404.db2.gz OWOCRAKPERQLKO-MRXNPFEDSA-N 0 1 388.489 3.483 20 0 GGADMN CC1([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Br)c3)C2)OCCO1 ZINC000833563807 605441825 /nfs/dbraw/zinc/44/18/25/605441825.db2.gz HVIIJFUCQWIYTQ-HIFRSBDPSA-N 0 1 384.270 3.050 20 0 GGADMN CC1([C@H]2CCC[N@@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)OCCO1 ZINC000833565115 605444243 /nfs/dbraw/zinc/44/42/43/605444243.db2.gz WPYBZUAXRBNWHD-INIZCTEOSA-N 0 1 388.489 3.483 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1F ZINC000833766553 605450986 /nfs/dbraw/zinc/45/09/86/605450986.db2.gz VVPRFXCRLNTUNY-XKGZKEIXSA-N 0 1 382.435 3.164 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000833763706 605451096 /nfs/dbraw/zinc/45/10/96/605451096.db2.gz AGYUJRPNNZQXEN-KSEOMHKRSA-N 0 1 392.499 3.344 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000833763704 605451149 /nfs/dbraw/zinc/45/11/49/605451149.db2.gz AGYUJRPNNZQXEN-CEMLEFRQSA-N 0 1 392.499 3.344 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2)C[C@H](C)O1 ZINC000833629195 605467875 /nfs/dbraw/zinc/46/78/75/605467875.db2.gz GJGAUPSUUKTKBS-IRXDYDNUSA-N 0 1 388.508 3.061 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833500325 605475289 /nfs/dbraw/zinc/47/52/89/605475289.db2.gz PVCUPSQSTMDLCX-VQIMIIECSA-N 0 1 382.451 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833500325 605475292 /nfs/dbraw/zinc/47/52/92/605475292.db2.gz PVCUPSQSTMDLCX-VQIMIIECSA-N 0 1 382.451 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833500319 605475989 /nfs/dbraw/zinc/47/59/89/605475989.db2.gz PVCUPSQSTMDLCX-APWZRJJASA-N 0 1 382.451 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833500319 605475993 /nfs/dbraw/zinc/47/59/93/605475993.db2.gz PVCUPSQSTMDLCX-APWZRJJASA-N 0 1 382.451 3.496 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000833669161 605478699 /nfs/dbraw/zinc/47/86/99/605478699.db2.gz YUWRVJJOPIUWDH-WBVHZDCISA-N 0 1 383.492 3.224 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000647739164 605484339 /nfs/dbraw/zinc/48/43/39/605484339.db2.gz CRIQMAMUFJLFBX-SJLPKXTDSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000647739164 605484342 /nfs/dbraw/zinc/48/43/42/605484342.db2.gz CRIQMAMUFJLFBX-SJLPKXTDSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500474 605485022 /nfs/dbraw/zinc/48/50/22/605485022.db2.gz RLPSFXWYMVPEDQ-WMZOPIPTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500474 605485024 /nfs/dbraw/zinc/48/50/24/605485024.db2.gz RLPSFXWYMVPEDQ-WMZOPIPTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833499278 605485318 /nfs/dbraw/zinc/48/53/18/605485318.db2.gz KPSACOIDWVOEBF-ROUUACIJSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833499278 605485322 /nfs/dbraw/zinc/48/53/22/605485322.db2.gz KPSACOIDWVOEBF-ROUUACIJSA-N 0 1 389.402 3.012 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833542819 605490835 /nfs/dbraw/zinc/49/08/35/605490835.db2.gz STIYUADHHVLNRL-ZOBUZTSGSA-N 0 1 392.496 3.274 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000833418941 605548923 /nfs/dbraw/zinc/54/89/23/605548923.db2.gz CWRDBRDLDIMBKQ-GFCCVEGCSA-N 0 1 380.851 3.383 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000833419011 605549073 /nfs/dbraw/zinc/54/90/73/605549073.db2.gz DKHAYEJNZQZRFH-MRXNPFEDSA-N 0 1 385.464 3.171 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000833419006 605549494 /nfs/dbraw/zinc/54/94/94/605549494.db2.gz DKHAYEJNZQZRFH-INIZCTEOSA-N 0 1 385.464 3.171 20 0 GGADMN O=C([O-])Nc1ccccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000740039940 605689561 /nfs/dbraw/zinc/68/95/61/605689561.db2.gz AJIWIXUJGUAQTH-UHFFFAOYSA-N 0 1 379.460 3.439 20 0 GGADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)C[C@H](c1cccs1)N1CCOCC1 ZINC000833695069 605832730 /nfs/dbraw/zinc/83/27/30/605832730.db2.gz YCXMWIUQCPWSSH-QGZVFWFLSA-N 0 1 378.469 3.091 20 0 GGADMN COC(=O)c1ccc(F)c(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000833715559 605836755 /nfs/dbraw/zinc/83/67/55/605836755.db2.gz DBVISHGVRKNNSZ-UHFFFAOYSA-N 0 1 381.350 3.367 20 0 GGADMN COC(=O)c1ccc(F)c(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000833715559 605836756 /nfs/dbraw/zinc/83/67/56/605836756.db2.gz DBVISHGVRKNNSZ-UHFFFAOYSA-N 0 1 381.350 3.367 20 0 GGADMN CN(C)C(=O)CC1CC[NH+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000833687649 605854938 /nfs/dbraw/zinc/85/49/38/605854938.db2.gz NUCXOLHXCDVLQM-UHFFFAOYSA-N 0 1 387.505 3.199 20 0 GGADMN CCCc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000833652465 605864042 /nfs/dbraw/zinc/86/40/42/605864042.db2.gz CBPBZOFZXNHNDM-UKRRQHHQSA-N 0 1 375.513 3.357 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000820684485 606021211 /nfs/dbraw/zinc/02/12/11/606021211.db2.gz QHIJEBQNJIDPGZ-OKILXGFUSA-N 0 1 396.520 3.084 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820684485 606021214 /nfs/dbraw/zinc/02/12/14/606021214.db2.gz QHIJEBQNJIDPGZ-OKILXGFUSA-N 0 1 396.520 3.084 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820684485 606021218 /nfs/dbraw/zinc/02/12/18/606021218.db2.gz QHIJEBQNJIDPGZ-OKILXGFUSA-N 0 1 396.520 3.084 20 0 GGADMN Cc1cccc(NC[C@@H]2CCN(c3nc4ccccc4cc3-c3nn[nH]n3)C2)n1 ZINC000822323870 606068636 /nfs/dbraw/zinc/06/86/36/606068636.db2.gz PPHMLXZXTFNAHV-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN Cc1sc(NC(=O)CN2C[C@H](c3ccccc3)C[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822556194 606111619 /nfs/dbraw/zinc/11/16/19/606111619.db2.gz ANJNUIZWRNYWOF-BLLLJJGKSA-N 0 1 396.520 3.362 20 0 GGADMN CCOc1c(Cl)cc(CNCc2cc(-c3nn[nH]n3)cs2)cc1OC ZINC000821390253 606211582 /nfs/dbraw/zinc/21/15/82/606211582.db2.gz VUOWNJVXZYUFDC-UHFFFAOYSA-N 0 1 379.873 3.279 20 0 GGADMN Brc1ccc2c(c1)[C@@H](NCc1cc(-c3nn[nH]n3)cs1)CCO2 ZINC000819688296 606212435 /nfs/dbraw/zinc/21/24/35/606212435.db2.gz FLUDBMCMQSRQPB-ZDUSSCGKSA-N 0 1 392.282 3.304 20 0 GGADMN Cc1ccc2nc(S[C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)[nH]c2c1 ZINC000822274639 606310748 /nfs/dbraw/zinc/31/07/48/606310748.db2.gz DKHFTEXDMVGSOE-ZDUSSCGKSA-N 0 1 397.489 3.011 20 0 GGADMN O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1)c1ccco1 ZINC000823323121 606408233 /nfs/dbraw/zinc/40/82/33/606408233.db2.gz CBTQSAGYEUCMAF-UHFFFAOYSA-N 0 1 380.433 3.063 20 0 GGADMN O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1)c1ccco1 ZINC000823323121 606408235 /nfs/dbraw/zinc/40/82/35/606408235.db2.gz CBTQSAGYEUCMAF-UHFFFAOYSA-N 0 1 380.433 3.063 20 0 GGADMN Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819688671 606413806 /nfs/dbraw/zinc/41/38/06/606413806.db2.gz LXOWFEPGPRVVGH-ZDUSSCGKSA-N 0 1 376.283 3.468 20 0 GGADMN Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819688671 606413807 /nfs/dbraw/zinc/41/38/07/606413807.db2.gz LXOWFEPGPRVVGH-ZDUSSCGKSA-N 0 1 376.283 3.468 20 0 GGADMN Brc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819688630 606417838 /nfs/dbraw/zinc/41/78/38/606417838.db2.gz KTBQWNNYODPPKR-ZDUSSCGKSA-N 0 1 376.283 3.468 20 0 GGADMN Brc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819688630 606417839 /nfs/dbraw/zinc/41/78/39/606417839.db2.gz KTBQWNNYODPPKR-ZDUSSCGKSA-N 0 1 376.283 3.468 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819940012 606422850 /nfs/dbraw/zinc/42/28/50/606422850.db2.gz NLZIWCUAVVARRT-JSGCOSHPSA-N 0 1 392.529 3.101 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819940012 606422852 /nfs/dbraw/zinc/42/28/52/606422852.db2.gz NLZIWCUAVVARRT-JSGCOSHPSA-N 0 1 392.529 3.101 20 0 GGADMN Fc1cc(-c2nn[nH]n2)cc(F)c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000822737253 606440331 /nfs/dbraw/zinc/44/03/31/606440331.db2.gz RWKNOVLEBSBMNA-AWEZNQCLSA-N 0 1 376.436 3.455 20 0 GGADMN COc1cccc([C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[NH+]2CCCC2)c1 ZINC000821864378 606440396 /nfs/dbraw/zinc/44/03/96/606440396.db2.gz YIJCKQIHISQWHS-MRXNPFEDSA-N 0 1 399.886 3.173 20 0 GGADMN COc1cccc([C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[NH+]2CCCC2)c1 ZINC000821864378 606440397 /nfs/dbraw/zinc/44/03/97/606440397.db2.gz YIJCKQIHISQWHS-MRXNPFEDSA-N 0 1 399.886 3.173 20 0 GGADMN CN(C)C(=O)Sc1cccc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821609917 606481949 /nfs/dbraw/zinc/48/19/49/606481949.db2.gz RJLBZJHFIRBBTA-UHFFFAOYSA-N 0 1 382.493 3.272 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc2[nH]1 ZINC000819965287 606521160 /nfs/dbraw/zinc/52/11/60/606521160.db2.gz ABGNDFCZHADHAH-UHFFFAOYSA-N 0 1 375.436 3.222 20 0 GGADMN c1cn(CN2CCS[C@@H]3CCCC[C@H]32)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823742618 606593103 /nfs/dbraw/zinc/59/31/03/606593103.db2.gz JDCGVJKJJQDJLA-QZTJIDSGSA-N 0 1 381.509 3.048 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@](C)(c3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822541295 606718850 /nfs/dbraw/zinc/71/88/50/606718850.db2.gz NBNQTPSXSVFMCB-LHSJRXKWSA-N 0 1 394.479 3.067 20 0 GGADMN CN(C)C1(C(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)CCC1 ZINC000821581997 606834978 /nfs/dbraw/zinc/83/49/78/606834978.db2.gz ZXXYCEMGIARHSS-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000820198221 606902322 /nfs/dbraw/zinc/90/23/22/606902322.db2.gz SXOJCLXEPPJZEJ-SJLPKXTDSA-N 0 1 398.536 3.360 20 0 GGADMN FC(F)(F)c1ccc(NCc2n[nH]c(-c3ccccc3)n2)c(-c2nn[nH]n2)c1 ZINC000822729111 606930020 /nfs/dbraw/zinc/93/00/20/606930020.db2.gz TXOZPANIBOKCRZ-UHFFFAOYSA-N 0 1 386.341 3.283 20 0 GGADMN FC(F)(F)c1ccc(NCc2nc(-c3ccccc3)n[nH]2)c(-c2nn[nH]n2)c1 ZINC000822729111 606930022 /nfs/dbraw/zinc/93/00/22/606930022.db2.gz TXOZPANIBOKCRZ-UHFFFAOYSA-N 0 1 386.341 3.283 20 0 GGADMN COc1ccc([C@@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1OC ZINC000821786136 606972481 /nfs/dbraw/zinc/97/24/81/606972481.db2.gz AILURMKIMAYXRF-KRWDZBQOSA-N 0 1 383.427 3.360 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000822757669 607057304 /nfs/dbraw/zinc/05/73/04/607057304.db2.gz BYUQLAZXMQSBGC-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN COc1cc([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)ccc1OC(F)F ZINC000821708385 607057521 /nfs/dbraw/zinc/05/75/21/607057521.db2.gz OMKXLMKLZBJOQI-JTQLQIEISA-N 0 1 393.369 3.467 20 0 GGADMN COc1ccccc1CN(Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CCCO1 ZINC000821898896 607066477 /nfs/dbraw/zinc/06/64/77/607066477.db2.gz TYFCGAWEPGLTQT-GOSISDBHSA-N 0 1 397.454 3.196 20 0 GGADMN Cc1cc(C[C@H](C)Nc2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)[nH]n1 ZINC000822200054 607130624 /nfs/dbraw/zinc/13/06/24/607130624.db2.gz SFOLWJQMSVAUNF-LBPRGKRZSA-N 0 1 387.451 3.051 20 0 GGADMN Cc1cccc(NC[C@@H]2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)C2)n1 ZINC000826299886 607841551 /nfs/dbraw/zinc/84/15/51/607841551.db2.gz ZUMPAASPRWFICZ-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN O=c1c(-c2nn[nH]n2)cn(Cc2csc(C3CC3)n2)c2ccc(Cl)cc12 ZINC000826501616 607966151 /nfs/dbraw/zinc/96/61/51/607966151.db2.gz ZDKANCOEJSRPRC-UHFFFAOYSA-N 0 1 384.852 3.217 20 0 GGADMN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000826282262 607997351 /nfs/dbraw/zinc/99/73/51/607997351.db2.gz GKDUDJFOSBFWRM-UHFFFAOYSA-N 0 1 399.410 3.364 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC3(CC3)CC2)c1-c1nn[nH]n1 ZINC000826233572 608042339 /nfs/dbraw/zinc/04/23/39/608042339.db2.gz MQKOPKNZDUGTEV-UHFFFAOYSA-N 0 1 397.527 3.215 20 0 GGADMN CN1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023245 608100691 /nfs/dbraw/zinc/10/06/91/608100691.db2.gz ZPNSLHABMDEUJS-YVEFUNNKSA-N 0 1 387.850 3.159 20 0 GGADMN CCN(Cc1ccccc1C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825439925 608122121 /nfs/dbraw/zinc/12/21/21/608122121.db2.gz UEYUJYWVPLMSHC-AWEZNQCLSA-N 0 1 382.468 3.234 20 0 GGADMN CCC[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)N(C)C ZINC000825225207 608122269 /nfs/dbraw/zinc/12/22/69/608122269.db2.gz OCPCVWBLXXXWAL-LJQANCHMSA-N 0 1 394.479 3.115 20 0 GGADMN CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825059567 608159165 /nfs/dbraw/zinc/15/91/65/608159165.db2.gz HANJDSDLENQNKA-NEPJUHHUSA-N 0 1 376.530 3.112 20 0 GGADMN CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825059567 608159166 /nfs/dbraw/zinc/15/91/66/608159166.db2.gz HANJDSDLENQNKA-NEPJUHHUSA-N 0 1 376.530 3.112 20 0 GGADMN CCn1c2ccc(-c3nn[nH]n3)cc2nc1NC(=O)/C=C\Sc1ccccc1 ZINC000825788428 608175690 /nfs/dbraw/zinc/17/56/90/608175690.db2.gz QMEPTLUWSAEUBE-KHPPLWFESA-N 0 1 391.460 3.481 20 0 GGADMN CN(c1snc(Cl)c1-c1nnn[n-]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826010258 608183888 /nfs/dbraw/zinc/18/38/88/608183888.db2.gz GCKREWBUEYHPGZ-UHFFFAOYSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nn[n-]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826010258 608183889 /nfs/dbraw/zinc/18/38/89/608183889.db2.gz GCKREWBUEYHPGZ-UHFFFAOYSA-N 0 1 389.916 3.077 20 0 GGADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCc1ccc(-c2nn[nH]n2)cc1F ZINC000826295645 608256877 /nfs/dbraw/zinc/25/68/77/608256877.db2.gz RBSHTXQRFYNYQW-UHFFFAOYSA-N 0 1 392.394 3.370 20 0 GGADMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000824606217 608284996 /nfs/dbraw/zinc/28/49/96/608284996.db2.gz OVMPWNTWWHVSFK-LBPRGKRZSA-N 0 1 395.442 3.141 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825443402 608315060 /nfs/dbraw/zinc/31/50/60/608315060.db2.gz BUZBHWWXYIBPTI-HOTGVXAUSA-N 0 1 390.491 3.088 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825443404 608315108 /nfs/dbraw/zinc/31/51/08/608315108.db2.gz BUZBHWWXYIBPTI-JKSUJKDBSA-N 0 1 390.491 3.088 20 0 GGADMN c1ccc2sc(C3CN(CCCOc4cccc(-c5nn[nH]n5)c4)C3)nc2c1 ZINC000826517734 608321609 /nfs/dbraw/zinc/32/16/09/608321609.db2.gz NENFXLVVUKSWPZ-UHFFFAOYSA-N 0 1 392.488 3.345 20 0 GGADMN COc1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)cc1-c1nn[nH]n1 ZINC000826193629 608323958 /nfs/dbraw/zinc/32/39/58/608323958.db2.gz JHWUITAVKKGJJT-UHFFFAOYSA-N 0 1 382.855 3.213 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)CC(C)C ZINC000825419180 608335431 /nfs/dbraw/zinc/33/54/31/608335431.db2.gz JUWDTDBSRMPRRN-UHFFFAOYSA-N 0 1 390.557 3.148 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)CC(C)C ZINC000825419180 608335432 /nfs/dbraw/zinc/33/54/32/608335432.db2.gz JUWDTDBSRMPRRN-UHFFFAOYSA-N 0 1 390.557 3.148 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)CC(C)C ZINC000825419180 608335433 /nfs/dbraw/zinc/33/54/33/608335433.db2.gz JUWDTDBSRMPRRN-UHFFFAOYSA-N 0 1 390.557 3.148 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)CC(C)C ZINC000825419180 608335434 /nfs/dbraw/zinc/33/54/34/608335434.db2.gz JUWDTDBSRMPRRN-UHFFFAOYSA-N 0 1 390.557 3.148 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826210758 608353407 /nfs/dbraw/zinc/35/34/07/608353407.db2.gz CYLQWTFORXJAHP-GOSISDBHSA-N 0 1 395.463 3.230 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c(-c2nn[nH]n2)c1C ZINC000826341271 608426670 /nfs/dbraw/zinc/42/66/70/608426670.db2.gz BWPQGWOAYHTADL-UWVGGRQHSA-N 0 1 390.394 3.033 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2C)c(-c2nn[n-]n2)c1C ZINC000826283299 608436848 /nfs/dbraw/zinc/43/68/48/608436848.db2.gz OCHKMIPZMLHHGI-UONOGXRCSA-N 0 1 382.468 3.371 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825653827 608458535 /nfs/dbraw/zinc/45/85/35/608458535.db2.gz KNLZXQNGOBISRA-WMLDXEAASA-N 0 1 394.479 3.333 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000826184095 608459038 /nfs/dbraw/zinc/45/90/38/608459038.db2.gz KWFAQVSQNCXFLV-ZDUSSCGKSA-N 0 1 392.463 3.075 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824528452 608460569 /nfs/dbraw/zinc/46/05/69/608460569.db2.gz AASDAMJAVFTZGL-KEYYUXOJSA-N 0 1 396.520 3.331 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825776916 608463659 /nfs/dbraw/zinc/46/36/59/608463659.db2.gz NFRXHCMOBHHQMI-UHFFFAOYSA-N 0 1 393.447 3.098 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826283164 608466131 /nfs/dbraw/zinc/46/61/31/608466131.db2.gz LVYXMEXLAUMPDN-CVEARBPZSA-N 0 1 378.480 3.012 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564855 608492009 /nfs/dbraw/zinc/49/20/09/608492009.db2.gz WYCYOVPUZJFEED-LLVKDONJSA-N 0 1 390.369 3.175 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563171 608493534 /nfs/dbraw/zinc/49/35/34/608493534.db2.gz MWMDRTPTOWCWGB-JTQLQIEISA-N 0 1 391.262 3.463 20 0 GGADMN Clc1ccc(C2=CCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826351434 608515727 /nfs/dbraw/zinc/51/57/27/608515727.db2.gz MKWABOAFISRQNR-UHFFFAOYSA-N 0 1 391.866 3.457 20 0 GGADMN Cc1sc(NC(=O)CNC(C)(C)c2cccc(F)c2)c(-c2nn[nH]n2)c1C ZINC000826349488 608535767 /nfs/dbraw/zinc/53/57/67/608535767.db2.gz JJTWQJQNBUAXFJ-UHFFFAOYSA-N 0 1 388.472 3.148 20 0 GGADMN CCN(Cc1cc(OC)ccc1OCOC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428151 608548906 /nfs/dbraw/zinc/54/89/06/608548906.db2.gz DJDZBCTUNCDQNQ-OAHLLOKOSA-N 0 1 397.479 3.441 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000826169668 608555040 /nfs/dbraw/zinc/55/50/40/608555040.db2.gz AFOLNOLLEYTLJY-OAHLLOKOSA-N 0 1 378.480 3.326 20 0 GGADMN O=C(NC[C@@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1)Nc1ccccc1 ZINC000826434590 608561182 /nfs/dbraw/zinc/56/11/82/608561182.db2.gz QXQFUAZJFJNSOH-INIZCTEOSA-N 0 1 397.508 3.104 20 0 GGADMN CN(C[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909410 608611553 /nfs/dbraw/zinc/61/15/53/608611553.db2.gz YCQBZFKTCMFTRY-CYBMUJFWSA-N 0 1 392.529 3.007 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909410 608611556 /nfs/dbraw/zinc/61/15/56/608611556.db2.gz YCQBZFKTCMFTRY-CYBMUJFWSA-N 0 1 392.529 3.007 20 0 GGADMN CN(C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909410 608611557 /nfs/dbraw/zinc/61/15/57/608611557.db2.gz YCQBZFKTCMFTRY-CYBMUJFWSA-N 0 1 392.529 3.007 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909410 608611560 /nfs/dbraw/zinc/61/15/60/608611560.db2.gz YCQBZFKTCMFTRY-CYBMUJFWSA-N 0 1 392.529 3.007 20 0 GGADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825923537 608620950 /nfs/dbraw/zinc/62/09/50/608620950.db2.gz LHJWVWBRMZKDTI-UHFFFAOYSA-N 0 1 381.415 3.054 20 0 GGADMN C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825923537 608620959 /nfs/dbraw/zinc/62/09/59/608620959.db2.gz LHJWVWBRMZKDTI-UHFFFAOYSA-N 0 1 381.415 3.054 20 0 GGADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825923537 608620965 /nfs/dbraw/zinc/62/09/65/608620965.db2.gz LHJWVWBRMZKDTI-UHFFFAOYSA-N 0 1 381.415 3.054 20 0 GGADMN COc1cccc(CN(Cc2cc(-c3nn[nH]n3)cs2)C[C@H]2CCCO2)c1 ZINC000826216287 608636876 /nfs/dbraw/zinc/63/68/76/608636876.db2.gz RMZRWLOSBQRHMP-QGZVFWFLSA-N 0 1 385.493 3.118 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000826519203 608662838 /nfs/dbraw/zinc/66/28/38/608662838.db2.gz OJTZHMFNJKOHSI-UHFFFAOYSA-N 0 1 392.492 3.093 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000826519203 608662841 /nfs/dbraw/zinc/66/28/41/608662841.db2.gz OJTZHMFNJKOHSI-UHFFFAOYSA-N 0 1 392.492 3.093 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824899667 608711825 /nfs/dbraw/zinc/71/18/25/608711825.db2.gz MRXQSTSGXIGDAZ-UGSOOPFHSA-N 0 1 377.427 3.237 20 0 GGADMN C[C@H]1SCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)[C@H]1c1ccccc1 ZINC000825021035 608715334 /nfs/dbraw/zinc/71/53/34/608715334.db2.gz OHQCKBUBUHTNRO-AUUYWEPGSA-N 0 1 391.504 3.193 20 0 GGADMN CC(C)[C@@H](CC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(=O)OC(C)(C)C ZINC000824192726 608830169 /nfs/dbraw/zinc/83/01/69/608830169.db2.gz LPIYDHMBEDIQCP-CQSZACIVSA-N 0 1 394.545 3.299 20 0 GGADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(=O)OC(C)(C)C ZINC000824192726 608830170 /nfs/dbraw/zinc/83/01/70/608830170.db2.gz LPIYDHMBEDIQCP-CQSZACIVSA-N 0 1 394.545 3.299 20 0 GGADMN CC(C)[C@@H](CC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000824192726 608830174 /nfs/dbraw/zinc/83/01/74/608830174.db2.gz LPIYDHMBEDIQCP-CQSZACIVSA-N 0 1 394.545 3.299 20 0 GGADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000824192726 608830178 /nfs/dbraw/zinc/83/01/78/608830178.db2.gz LPIYDHMBEDIQCP-CQSZACIVSA-N 0 1 394.545 3.299 20 0 GGADMN COc1cccc(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1OC ZINC000826216242 608856987 /nfs/dbraw/zinc/85/69/87/608856987.db2.gz PRAWEABNBLHTCT-UHFFFAOYSA-N 0 1 377.448 3.173 20 0 GGADMN C[C@@H](NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824570163 609139588 /nfs/dbraw/zinc/13/95/88/609139588.db2.gz LQCGIDKSHQZWOF-DIFFPNOSSA-N 0 1 395.360 3.107 20 0 GGADMN Cc1ccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c(O[C@@H]2CCOC2)c1 ZINC000826288591 609150269 /nfs/dbraw/zinc/15/02/69/609150269.db2.gz OFDCPRBSABLYRN-WMLDXEAASA-N 0 1 397.454 3.333 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824573438 609151855 /nfs/dbraw/zinc/15/18/55/609151855.db2.gz ZHLUANXURAINKL-VFZGTOFNSA-N 0 1 379.798 3.183 20 0 GGADMN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c2ccccc21 ZINC000823972720 609154126 /nfs/dbraw/zinc/15/41/26/609154126.db2.gz FUGOIOVTUTZDKC-KPZWWZAWSA-N 0 1 380.427 3.154 20 0 GGADMN CC[C@H](C)N(Cc1ccccc1-c1nn[nH]n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000825067441 609238794 /nfs/dbraw/zinc/23/87/94/609238794.db2.gz JYFXPGHWTUFBDN-AWEZNQCLSA-N 0 1 389.463 3.316 20 0 GGADMN c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4ccccc4-c4nn[nH]n4)C3)n2)cc1 ZINC000826519069 609293837 /nfs/dbraw/zinc/29/38/37/609293837.db2.gz ISAPXNJCASQOSU-QGZVFWFLSA-N 0 1 386.463 3.031 20 0 GGADMN C[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[nH]n2)cc1F ZINC000824569582 609342384 /nfs/dbraw/zinc/34/23/84/609342384.db2.gz JBGNDWKGZFCNIH-RFAUZJTJSA-N 0 1 379.798 3.183 20 0 GGADMN CCCN(CCN[C@H](C)c1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000825313654 609345563 /nfs/dbraw/zinc/34/55/63/609345563.db2.gz NIYWNMPYEZWSAB-CYBMUJFWSA-N 0 1 392.479 3.304 20 0 GGADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H]1Cc1ccccc1 ZINC000823821331 609362886 /nfs/dbraw/zinc/36/28/86/609362886.db2.gz SUKUDBQZVNBLRP-MRXNPFEDSA-N 0 1 384.281 3.446 20 0 GGADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000823821408 609362944 /nfs/dbraw/zinc/36/29/44/609362944.db2.gz UATIINAYRCCCQR-CABCVRRESA-N 0 1 394.342 3.489 20 0 GGADMN CC(=O)c1ccc(-c2nn[nH]n2)cc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000824019757 609419886 /nfs/dbraw/zinc/41/98/86/609419886.db2.gz NJTQLAFFHGXTBY-GOSISDBHSA-N 0 1 380.452 3.301 20 0 GGADMN CCOC(=O)c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000540975979 650867175 /nfs/dbraw/zinc/86/71/75/650867175.db2.gz GSVBIRZLKUTECS-UHFFFAOYSA-N 0 1 378.226 3.019 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2ccc(Br)cc2F)n[nH]1 ZINC000611590605 651730775 /nfs/dbraw/zinc/73/07/75/651730775.db2.gz ITDFGPNDXZISQZ-UHFFFAOYSA-N 0 1 384.205 3.059 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc(F)c(NC(C)=O)c2)N2CCCC2)cc1 ZINC000052956968 1406241933 /nfs/dbraw/zinc/24/19/33/1406241933.db2.gz LISWSSGYLZKSBM-NRFANRHFSA-N 0 1 399.466 3.360 20 0 GGADMN CCOC(=O)C1=C(CN(CC)CCc2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000052968828 1406245167 /nfs/dbraw/zinc/24/51/67/1406245167.db2.gz SMUICTZZAKCEBE-FQEVSTJZSA-N 0 1 397.475 3.015 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000052969183 1406245434 /nfs/dbraw/zinc/24/54/34/1406245434.db2.gz OXOGEHVUCMZMEA-UHFFFAOYSA-N 0 1 376.504 3.112 20 0 GGADMN O=C(Cn1ccc2ccc(Cl)cc21)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000052985498 1406247969 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CCN(CC)Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2cccc(OC)c2)o1 ZINC000053341362 1406369348 /nfs/dbraw/zinc/36/93/48/1406369348.db2.gz JCYCRSMYGVLFIC-HXUWFJFHSA-N 0 1 396.491 3.383 20 0 GGADMN Cc1nc(C)c(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c(=O)[nH]1 ZINC000053398796 1406384186 /nfs/dbraw/zinc/38/41/86/1406384186.db2.gz QKIMJKKDGFTZLX-UHFFFAOYSA-N 0 1 391.406 3.250 20 0 GGADMN Cc1cc([C@H]2CCCN2C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)on1 ZINC000053400569 1406385240 /nfs/dbraw/zinc/38/52/40/1406385240.db2.gz UBDKRMXHXIUOLA-OAHLLOKOSA-N 0 1 384.461 3.109 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N2CCC(c3nc(C)no3)CC2)n[nH]1 ZINC000053454961 1406398157 /nfs/dbraw/zinc/39/81/57/1406398157.db2.gz FZTFBDIBQJTOTF-UHFFFAOYSA-N 0 1 381.436 3.187 20 0 GGADMN CCc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3Cc4ccccc4O3)n2)cc1 ZINC000053468057 1406406305 /nfs/dbraw/zinc/40/63/05/1406406305.db2.gz FZHVBBCVRHTAJS-QGZVFWFLSA-N 0 1 394.500 3.246 20 0 GGADMN Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)ccc1N1CCN(C)CC1 ZINC000053474151 1406407885 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CN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000053524674 1406425296 /nfs/dbraw/zinc/42/52/96/1406425296.db2.gz MGDJLJIIFCCKSP-ZWKOTPCHSA-N 0 1 399.491 3.288 20 0 GGADMN CN(C[C@@H]1COc2ccccc2O1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000053524669 1406425488 /nfs/dbraw/zinc/42/54/88/1406425488.db2.gz MGDJLJIIFCCKSP-QZTJIDSGSA-N 0 1 399.491 3.288 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000053530052 1406428685 /nfs/dbraw/zinc/42/86/85/1406428685.db2.gz ZBCRNTRKAHKWRS-KRWDZBQOSA-N 0 1 376.501 3.022 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000053535150 1406430844 /nfs/dbraw/zinc/43/08/44/1406430844.db2.gz RRVPCSDVZNQMEG-QGZVFWFLSA-N 0 1 375.444 3.276 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(F)c1 ZINC000053538478 1406433631 /nfs/dbraw/zinc/43/36/31/1406433631.db2.gz UVYPQOUPPUIMOG-IBGZPJMESA-N 0 1 390.528 3.017 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000053538591 1406433673 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Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)cs2)o1 ZINC000053745903 1406501441 /nfs/dbraw/zinc/50/14/41/1406501441.db2.gz OVKAPBPGEMBPQP-UHFFFAOYSA-N 0 1 383.477 3.111 20 0 GGADMN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1 ZINC000053746072 1406501522 /nfs/dbraw/zinc/50/15/22/1406501522.db2.gz LRWIDLIWDAOCNY-HNNXBMFYSA-N 0 1 388.899 3.201 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)on2)cc1 ZINC000053745816 1406501721 /nfs/dbraw/zinc/50/17/21/1406501721.db2.gz CBPGFUFVWKKBQI-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN CC(C)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)nn1C(C)(C)C ZINC000053746065 1406501866 /nfs/dbraw/zinc/50/18/66/1406501866.db2.gz UVLLHJGXKBERNB-UHFFFAOYSA-N 0 1 384.528 3.161 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccs1 ZINC000053758899 1406504428 /nfs/dbraw/zinc/50/44/28/1406504428.db2.gz XHBMEMVLUYVGNW-HOTGVXAUSA-N 0 1 391.924 3.174 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000053762666 1406505765 /nfs/dbraw/zinc/50/57/65/1406505765.db2.gz URGYXYSPRCYZBK-GOSISDBHSA-N 0 1 381.520 3.242 20 0 GGADMN COc1ccc(N2CCCN([C@@H](C)C(=O)NCc3ccccc3F)CC2)cc1 ZINC000053774381 1406508636 /nfs/dbraw/zinc/50/86/36/1406508636.db2.gz ALCXXZAVYZJZTL-KRWDZBQOSA-N 0 1 385.483 3.051 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1ccc2c(c1)OCCO2)N1CCCC1 ZINC000053780311 1406510439 /nfs/dbraw/zinc/51/04/39/1406510439.db2.gz UXZWGDHUQUIIFP-SFHVURJKSA-N 0 1 397.475 3.425 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCc3coc(-c4cccs4)n3)cc2)CC1 ZINC000053791750 1406511722 /nfs/dbraw/zinc/51/17/22/1406511722.db2.gz CJADCJZNVDGHTP-UHFFFAOYSA-N 0 1 396.516 3.081 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCCCCOc3ccccc3)cc2)CC1 ZINC000053790030 1406511952 /nfs/dbraw/zinc/51/19/52/1406511952.db2.gz HSSOGWXYJKLDFO-UHFFFAOYSA-N 0 1 381.520 3.023 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2)CC1 ZINC000053795873 1406515115 /nfs/dbraw/zinc/51/51/15/1406515115.db2.gz MIPUPQMXOLNDGV-UHFFFAOYSA-N 0 1 387.487 3.143 20 0 GGADMN COc1ccc([C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C2CC2)cc1 ZINC000053798475 1406516122 /nfs/dbraw/zinc/51/61/22/1406516122.db2.gz LIKQOIIJYIPPHT-HSZRJFAPSA-N 0 1 393.531 3.324 20 0 GGADMN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000053800019 1406517243 /nfs/dbraw/zinc/51/72/43/1406517243.db2.gz DCMUCQCDDJLTIF-UHFFFAOYSA-N 0 1 394.519 3.281 20 0 GGADMN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1ccc2c(c1)CCC(=O)N2 ZINC000053802044 1406518399 /nfs/dbraw/zinc/51/83/99/1406518399.db2.gz DPXFNQSACPJFQT-JTQLQIEISA-N 0 1 394.456 3.374 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC=C(c3ccc(C)cc3)CC2)CC1 ZINC000053813561 1406522284 /nfs/dbraw/zinc/52/22/84/1406522284.db2.gz IFKARHCRQWOFMC-SFHVURJKSA-N 0 1 384.520 3.274 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000053844779 1406531268 /nfs/dbraw/zinc/53/12/68/1406531268.db2.gz NNMSSQNLPSINEH-IBGZPJMESA-N 0 1 383.511 3.205 20 0 GGADMN O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000053855937 1406537805 /nfs/dbraw/zinc/53/78/05/1406537805.db2.gz QWWKFSGNODTSNX-UHFFFAOYSA-N 0 1 393.270 3.226 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000053981605 1406576048 /nfs/dbraw/zinc/57/60/48/1406576048.db2.gz FGINNWPZBGEREX-QGZVFWFLSA-N 0 1 389.496 3.206 20 0 GGADMN CC(C)C(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000053991110 1406578707 /nfs/dbraw/zinc/57/87/07/1406578707.db2.gz PDHWYDXGGHZYFO-UHFFFAOYSA-N 0 1 380.492 3.071 20 0 GGADMN CCOC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000053990581 1406578822 /nfs/dbraw/zinc/57/88/22/1406578822.db2.gz NYRGRVRTYJWLBP-UHFFFAOYSA-N 0 1 382.464 3.044 20 0 GGADMN Cc1nc2ccc(C(=O)NC3CCN(Cc4ccccn4)CC3)cc2nc1C ZINC000053990521 1406579190 /nfs/dbraw/zinc/57/91/90/1406579190.db2.gz FIQBRECZRGSPBQ-UHFFFAOYSA-N 0 1 375.476 3.036 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)cnn1-c1cccc(C)c1 ZINC000053990975 1406579343 /nfs/dbraw/zinc/57/93/43/1406579343.db2.gz LDEYTIHJSFGPBI-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000053990638 1406579364 /nfs/dbraw/zinc/57/93/64/1406579364.db2.gz IGIZRHHVVMXDIA-MRXNPFEDSA-N 0 1 385.895 3.067 20 0 GGADMN COc1ccc(S[C@H](C)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000053991482 1406579893 /nfs/dbraw/zinc/57/98/93/1406579893.db2.gz PGMPMLIHZJEADC-MRXNPFEDSA-N 0 1 385.533 3.352 20 0 GGADMN O=C(CCCOCCc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000053991463 1406580417 /nfs/dbraw/zinc/58/04/17/1406580417.db2.gz KMRIDMKSGNDZQN-UHFFFAOYSA-N 0 1 381.520 3.202 20 0 GGADMN CCCN(CC1CC1)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000053999574 1406583719 /nfs/dbraw/zinc/58/37/19/1406583719.db2.gz FNHGFCHDNWAKHZ-UHFFFAOYSA-N 0 1 388.556 3.039 20 0 GGADMN CCOc1cc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)ccc1OC ZINC000054033881 1406595557 /nfs/dbraw/zinc/59/55/57/1406595557.db2.gz CYECHULDQJURES-UHFFFAOYSA-N 0 1 399.472 3.495 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCc2c[nH]c3ccccc23)N(C)C)c1 ZINC000054043129 1406601821 /nfs/dbraw/zinc/60/18/21/1406601821.db2.gz VVLMUTMCYTUDGI-NRFANRHFSA-N 0 1 380.492 3.321 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCCn1nc(C)cc1C)N1CCCC1 ZINC000054041796 1406600098 /nfs/dbraw/zinc/60/00/98/1406600098.db2.gz NJQZQNQFUKCOBF-HXUWFJFHSA-N 0 1 399.539 3.035 20 0 GGADMN COc1ccccc1CCNC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000054041816 1406602015 /nfs/dbraw/zinc/60/20/15/1406602015.db2.gz RUQJFDVUMPWDAE-HXUWFJFHSA-N 0 1 397.519 3.383 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)N(C)C)c1 ZINC000054043299 1406601316 /nfs/dbraw/zinc/60/13/16/1406601316.db2.gz RJJBTIXEVUHQIB-LIRRHRJNSA-N 0 1 381.480 3.235 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCOc1ccccc1)N1CCCC1 ZINC000054042221 1406601340 /nfs/dbraw/zinc/60/13/40/1406601340.db2.gz VXFRQZGLBPNOPG-HXUWFJFHSA-N 0 1 383.492 3.210 20 0 GGADMN CCn1c(CNC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)nc2ccccc21 ZINC000054043332 1406601414 /nfs/dbraw/zinc/60/14/14/1406601414.db2.gz KSMGWNCXLPARGP-FQEVSTJZSA-N 0 1 395.507 3.167 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H](C)c2nc3ccccc3[nH]2)N(C)C)c1 ZINC000054043300 1406601424 /nfs/dbraw/zinc/60/14/24/1406601424.db2.gz RJJBTIXEVUHQIB-KUHUBIRLSA-N 0 1 381.480 3.235 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2ccc(OC(F)F)cc2)N(C)C)c1 ZINC000054044238 1406602822 /nfs/dbraw/zinc/60/28/22/1406602822.db2.gz HHGBYIUZRZIOPD-GOSISDBHSA-N 0 1 393.434 3.399 20 0 GGADMN O=C(NCCCn1cnc2ccccc21)NC[C@H](c1ccco1)N1CCCC1 ZINC000054046720 1406604147 /nfs/dbraw/zinc/60/41/47/1406604147.db2.gz MZTVHJWFBVQZEL-LJQANCHMSA-N 0 1 381.480 3.156 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000054082658 1406611118 /nfs/dbraw/zinc/61/11/18/1406611118.db2.gz PIYBWQQNQAYRDD-MRXNPFEDSA-N 0 1 385.483 3.073 20 0 GGADMN CCCOCc1ccccc1CNC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000054084096 1406611639 /nfs/dbraw/zinc/61/16/39/1406611639.db2.gz BALWMNDMBIDJOX-UHFFFAOYSA-N 0 1 395.547 3.291 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000054086128 1406612705 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C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccc(F)cc1 ZINC000054181255 1406641364 /nfs/dbraw/zinc/64/13/64/1406641364.db2.gz GSPSBSLARPHFBF-BQFCYCMXSA-N 0 1 398.482 3.137 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1C ZINC000054182798 1406643826 /nfs/dbraw/zinc/64/38/26/1406643826.db2.gz TYRIPRIZSRTGSM-MSOLQXFVSA-N 0 1 380.492 3.376 20 0 GGADMN C[C@@H](C(=O)N1CCCCCC1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054215336 1406653948 /nfs/dbraw/zinc/65/39/48/1406653948.db2.gz UDJUTZZDGHNTBD-HNNXBMFYSA-N 0 1 392.931 3.177 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)C1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000054217512 1406654596 /nfs/dbraw/zinc/65/45/96/1406654596.db2.gz KDUIWJYFISIHNY-QGZVFWFLSA-N 0 1 395.837 3.397 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054216605 1406654762 /nfs/dbraw/zinc/65/47/62/1406654762.db2.gz FKXJANHSJLVUMU-ZIAGYGMSSA-N 0 1 380.920 3.079 20 0 GGADMN CCN1C[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)CC1=O ZINC000054245507 1406664142 /nfs/dbraw/zinc/66/41/42/1406664142.db2.gz OIJPCRBJVLAXNW-CQSZACIVSA-N 0 1 380.423 3.100 20 0 GGADMN Cc1c(NC(=O)c2cc(-c3ccccc3)n[nH]2)cccc1C(=O)N1CCOCC1 ZINC000054262298 1406670520 /nfs/dbraw/zinc/67/05/20/1406670520.db2.gz NDALJLRAZXYDMJ-UHFFFAOYSA-N 0 1 390.443 3.110 20 0 GGADMN Cc1ccc(NC(=S)NCCN2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000054298412 1406685403 /nfs/dbraw/zinc/68/54/03/1406685403.db2.gz LIVYIKOGLPWYFC-UHFFFAOYSA-N 0 1 382.577 3.408 20 0 GGADMN COc1cc(CNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)ccc1C ZINC000054382360 1406709667 /nfs/dbraw/zinc/70/96/67/1406709667.db2.gz KYNLZQYJJXZWTN-UHFFFAOYSA-N 0 1 382.508 3.386 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000054385481 1406710804 /nfs/dbraw/zinc/71/08/04/1406710804.db2.gz RRGZXELANTYFGB-UHFFFAOYSA-N 0 1 393.535 3.229 20 0 GGADMN COc1cc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1C ZINC000054386437 1406711997 /nfs/dbraw/zinc/71/19/97/1406711997.db2.gz FNNMSZLAZFTBRU-UHFFFAOYSA-N 0 1 382.508 3.386 20 0 GGADMN C[C@H]1CN(C(C)(C)CNc2ccc3nnc(-c4ccccc4)n3n2)C[C@H](C)O1 ZINC000054389708 1406713471 /nfs/dbraw/zinc/71/34/71/1406713471.db2.gz YMBMOBDIXDCFLA-HOTGVXAUSA-N 0 1 380.496 3.091 20 0 GGADMN COC(=O)C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000054394847 1406718230 /nfs/dbraw/zinc/71/82/30/1406718230.db2.gz LJRZDZCDZYOJTP-HXUWFJFHSA-N 0 1 398.503 3.224 20 0 GGADMN O=[N+]([O-])c1ccnn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000054421483 1406728292 /nfs/dbraw/zinc/72/82/92/1406728292.db2.gz BCLAHBLFWWAYDR-UHFFFAOYSA-N 0 1 377.448 3.156 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(C[C@H](O)COc1c(C)ccc(C)c1C)C2 ZINC000054425530 1406731017 /nfs/dbraw/zinc/73/10/17/1406731017.db2.gz NRBMLVZCVMQYQX-FQEVSTJZSA-N 0 1 382.504 3.368 20 0 GGADMN COC(=O)c1cc(CN(C)CCC(=O)Nc2cc(Cl)ccc2OC)oc1C ZINC000054429312 1406732922 /nfs/dbraw/zinc/73/29/22/1406732922.db2.gz DZYNIXKGVOLILC-UHFFFAOYSA-N 0 1 394.855 3.497 20 0 GGADMN CN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1cnn(-c2ccccc2)c1 ZINC000054428434 1406733267 /nfs/dbraw/zinc/73/32/67/1406733267.db2.gz MLQXIPLDLCAKGV-UHFFFAOYSA-N 0 1 378.432 3.062 20 0 GGADMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)nc(C)n1 ZINC000054451989 1406741646 /nfs/dbraw/zinc/74/16/46/1406741646.db2.gz WPKAHFBPNPBOFM-CVEARBPZSA-N 0 1 395.438 3.353 20 0 GGADMN Cc1cc(C(C#N)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)nc(C)n1 ZINC000054451991 1406741779 /nfs/dbraw/zinc/74/17/79/1406741779.db2.gz WPKAHFBPNPBOFM-HOTGVXAUSA-N 0 1 395.438 3.353 20 0 GGADMN CCOC(=O)N(C)c1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000054528067 1406763303 /nfs/dbraw/zinc/76/33/03/1406763303.db2.gz FXACXFJLRTVPFR-UHFFFAOYSA-N 0 1 396.491 3.459 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCO[C@H]2CCC[C@@H]21 ZINC000054542563 1406765986 /nfs/dbraw/zinc/76/59/86/1406765986.db2.gz SWNCCPHEKRILKT-OALUTQOASA-N 0 1 377.916 3.267 20 0 GGADMN O=C(CCC(=O)c1cccs1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000054573067 1406772430 /nfs/dbraw/zinc/77/24/30/1406772430.db2.gz WERQADMQEKPRMT-UHFFFAOYSA-N 0 1 399.560 3.430 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000054587650 1406777293 /nfs/dbraw/zinc/77/72/93/1406777293.db2.gz YDDUJENTCKQQRA-UHFFFAOYSA-N 0 1 386.471 3.327 20 0 GGADMN Cc1cccc(OC[C@@H](C)NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000054614638 1406785478 /nfs/dbraw/zinc/78/54/78/1406785478.db2.gz ZGXXQQDHFOPLKL-GOSISDBHSA-N 0 1 382.508 3.121 20 0 GGADMN CCCC1N=NC(=S)N1CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000054626821 1406791001 /nfs/dbraw/zinc/79/10/01/1406791001.db2.gz OWQZZEHPXVQEHV-UHFFFAOYSA-N 0 1 382.449 3.294 20 0 GGADMN CN(CCCCNC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000054643891 1406794270 /nfs/dbraw/zinc/79/42/70/1406794270.db2.gz RHFDCGCLWGYMCO-UHFFFAOYSA-N 0 1 395.551 3.262 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC(=O)Nc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000054649151 1406796458 /nfs/dbraw/zinc/79/64/58/1406796458.db2.gz IJFDNPBZGVJLBA-QGZVFWFLSA-N 0 1 392.862 3.020 20 0 GGADMN CN(C)c1nc2sc(C(=O)NNC(=O)c3ccc4ccccc4n3)cc2s1 ZINC000054653292 1406798197 /nfs/dbraw/zinc/79/81/97/1406798197.db2.gz JLGKEZMUBIIJLA-UHFFFAOYSA-N 0 1 397.485 3.047 20 0 GGADMN CNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000054668911 1406800523 /nfs/dbraw/zinc/80/05/23/1406800523.db2.gz ZQFJXRYKSAFBIF-UHFFFAOYSA-N 0 1 382.851 3.362 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C)c2Br)c(OC)c1 ZINC000054705110 1406809644 /nfs/dbraw/zinc/80/96/44/1406809644.db2.gz QAHZCYNCQBMLLK-ZDUSSCGKSA-N 0 1 394.269 3.475 20 0 GGADMN Cc1[nH]nc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1Br ZINC000054705129 1406809874 /nfs/dbraw/zinc/80/98/74/1406809874.db2.gz NYEAVZRLFYLMOI-INIZCTEOSA-N 0 1 378.270 3.066 20 0 GGADMN Cc1[nH]nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1Br ZINC000054704839 1406809919 /nfs/dbraw/zinc/80/99/19/1406809919.db2.gz GNSNDQQBZVFHQN-UHFFFAOYSA-N 0 1 397.704 3.092 20 0 GGADMN CC[C@H](CNC(=O)c1[nH]nc(C)c1Br)N1CCc2ccccc2C1 ZINC000054705998 1406810511 /nfs/dbraw/zinc/81/05/11/1406810511.db2.gz XPGFHPPVQVQQTP-OAHLLOKOSA-N 0 1 391.313 3.047 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3ccc(C)c(OC)c3)CC2)cc1 ZINC000054781370 1406823225 /nfs/dbraw/zinc/82/32/25/1406823225.db2.gz ZYTNUISIPNCALT-UHFFFAOYSA-N 0 1 397.519 3.430 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000054771872 1406821428 /nfs/dbraw/zinc/82/14/28/1406821428.db2.gz LHFYKCZHMMFDEF-OAQYLSRUSA-N 0 1 384.520 3.012 20 0 GGADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4cnns4)cc3)CC2)c1 ZINC000054777054 1406822636 /nfs/dbraw/zinc/82/26/36/1406822636.db2.gz PYZNPVUGQCVIBH-UHFFFAOYSA-N 0 1 393.516 3.421 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000054783013 1406824316 /nfs/dbraw/zinc/82/43/16/1406824316.db2.gz JLJVHYLKUCVQNT-LLVKDONJSA-N 0 1 378.498 3.089 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054784980 1406825063 /nfs/dbraw/zinc/82/50/63/1406825063.db2.gz KSZFHONYPONGHO-FQEVSTJZSA-N 0 1 398.482 3.398 20 0 GGADMN O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054784104 1406825086 /nfs/dbraw/zinc/82/50/86/1406825086.db2.gz QAFQYQLBOPSSAD-QGZVFWFLSA-N 0 1 394.406 3.232 20 0 GGADMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1 ZINC000054796685 1406826969 /nfs/dbraw/zinc/82/69/69/1406826969.db2.gz DMRKNDDAJIMHEN-UHFFFAOYSA-N 0 1 394.456 3.071 20 0 GGADMN O=C(Nc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1)NC1CC1 ZINC000054799550 1406827426 /nfs/dbraw/zinc/82/74/26/1406827426.db2.gz RTSQJJZNEODJMZ-GOSISDBHSA-N 0 1 382.464 3.130 20 0 GGADMN O=C(Nc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1)NC1CC1 ZINC000054799548 1406827561 /nfs/dbraw/zinc/82/75/61/1406827561.db2.gz RTSQJJZNEODJMZ-SFHVURJKSA-N 0 1 382.464 3.130 20 0 GGADMN CNC(=O)c1ccc(CN(C)Cc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000054808383 1406830187 /nfs/dbraw/zinc/83/01/87/1406830187.db2.gz HWCUUIWFAKMHLY-UHFFFAOYSA-N 0 1 379.504 3.304 20 0 GGADMN O=C(C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1)N1CCCC1 ZINC000054808279 1406830199 /nfs/dbraw/zinc/83/01/99/1406830199.db2.gz XMAOROMQGFBKOG-UHFFFAOYSA-N 0 1 383.536 3.147 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)C1 ZINC000054831045 1406832901 /nfs/dbraw/zinc/83/29/01/1406832901.db2.gz WXJIRCLJFXFOQF-NRFANRHFSA-N 0 1 385.552 3.068 20 0 GGADMN CC(=O)CCc1ccc(OC[C@H](O)CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000054866541 1406838787 /nfs/dbraw/zinc/83/87/87/1406838787.db2.gz CVFRYCQHOPSVIQ-HNNXBMFYSA-N 0 1 377.510 3.156 20 0 GGADMN CC(=O)CCc1ccc(OC[C@H](O)CSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000054866541 1406838788 /nfs/dbraw/zinc/83/87/88/1406838788.db2.gz CVFRYCQHOPSVIQ-HNNXBMFYSA-N 0 1 377.510 3.156 20 0 GGADMN CC(=O)CCc1ccc(OC[C@@H](O)CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000054866542 1406838898 /nfs/dbraw/zinc/83/88/98/1406838898.db2.gz CVFRYCQHOPSVIQ-OAHLLOKOSA-N 0 1 377.510 3.156 20 0 GGADMN CC(=O)CCc1ccc(OC[C@@H](O)CSc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000054866542 1406838899 /nfs/dbraw/zinc/83/88/99/1406838899.db2.gz CVFRYCQHOPSVIQ-OAHLLOKOSA-N 0 1 377.510 3.156 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054939283 1406853235 /nfs/dbraw/zinc/85/32/35/1406853235.db2.gz RTUNZDMYNYIGRP-PKOBYXMFSA-N 0 1 395.503 3.366 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000054939629 1406853901 /nfs/dbraw/zinc/85/39/01/1406853901.db2.gz LCQTWDATNZIWFB-APWZRJJASA-N 0 1 388.471 3.125 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054940059 1406854048 /nfs/dbraw/zinc/85/40/48/1406854048.db2.gz FGPOSZSIQJNTMR-HKUYNNGSSA-N 0 1 395.503 3.284 20 0 GGADMN CCOC(=O)c1ccc(NC(=S)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000054941402 1406854881 /nfs/dbraw/zinc/85/48/81/1406854881.db2.gz ICQFNTLFFXPNMY-UHFFFAOYSA-N 0 1 398.532 3.209 20 0 GGADMN FC(F)(F)c1cccc(NC(=S)N2CCC(CN3CCOCC3)CC2)c1 ZINC000054943254 1406855075 /nfs/dbraw/zinc/85/50/75/1406855075.db2.gz QHOKZJJASRDNGU-UHFFFAOYSA-N 0 1 387.471 3.446 20 0 GGADMN CN(C)[C@H](CNC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000054971363 1406861486 /nfs/dbraw/zinc/86/14/86/1406861486.db2.gz SWBTVDWCEUNCQM-MRXNPFEDSA-N 0 1 375.469 3.186 20 0 GGADMN CN(C)[C@@H](CNC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000054971362 1406861744 /nfs/dbraw/zinc/86/17/44/1406861744.db2.gz SWBTVDWCEUNCQM-INIZCTEOSA-N 0 1 375.469 3.186 20 0 GGADMN O=C(NNC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1O ZINC000054980881 1406864233 /nfs/dbraw/zinc/86/42/33/1406864233.db2.gz MHWFYXNXICWJQV-UHFFFAOYSA-N 0 1 387.795 3.278 20 0 GGADMN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000055007346 1406868874 /nfs/dbraw/zinc/86/88/74/1406868874.db2.gz YCANGNVLVJTCAY-FUHWJXTLSA-N 0 1 398.528 3.345 20 0 GGADMN CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000055008248 1406869183 /nfs/dbraw/zinc/86/91/83/1406869183.db2.gz CGDAUGHHXBPAAA-RTBURBONSA-N 0 1 391.943 3.384 20 0 GGADMN O=C(Nc1ccccc1)NC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000055032725 1406874491 /nfs/dbraw/zinc/87/44/91/1406874491.db2.gz FCVRPDZKJXXOEE-LJQANCHMSA-N 0 1 375.419 3.284 20 0 GGADMN O=C(Nc1ccccc1)NC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000055032688 1406874671 /nfs/dbraw/zinc/87/46/71/1406874671.db2.gz CVHUKWAJDFRIDT-IBGZPJMESA-N 0 1 375.419 3.284 20 0 GGADMN CC(C)N(C(=O)[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1)C(C)C ZINC000055028571 1406872677 /nfs/dbraw/zinc/87/26/77/1406872677.db2.gz PHDBSKGYKDEADB-KRWDZBQOSA-N 0 1 380.577 3.117 20 0 GGADMN CC(C)N(C(=O)[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1)C(C)C ZINC000055028568 1406872690 /nfs/dbraw/zinc/87/26/90/1406872690.db2.gz PHDBSKGYKDEADB-QGZVFWFLSA-N 0 1 380.577 3.117 20 0 GGADMN O=C(NC1CCCCC1)NC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000055029522 1406872737 /nfs/dbraw/zinc/87/27/37/1406872737.db2.gz ZQBJNJIFTUZFSQ-LJQANCHMSA-N 0 1 381.467 3.095 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030739 1406873452 /nfs/dbraw/zinc/87/34/52/1406873452.db2.gz ARNVBXHSHXDYES-GOSISDBHSA-N 0 1 394.519 3.320 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN1CCC(COc2ccccc2)CC1 ZINC000055081284 1406882407 /nfs/dbraw/zinc/88/24/07/1406882407.db2.gz NKLIHIVMOMPXGN-UHFFFAOYSA-N 0 1 382.504 3.445 20 0 GGADMN CN(C)[C@H](CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1cccs1 ZINC000055087036 1406882892 /nfs/dbraw/zinc/88/28/92/1406882892.db2.gz QKVMKSIKBQZGLC-DLBZAZTESA-N 0 1 377.510 3.335 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000055088963 1406883174 /nfs/dbraw/zinc/88/31/74/1406883174.db2.gz MVUUVVVVEHTEQH-QGZVFWFLSA-N 0 1 391.443 3.403 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1F ZINC000055088969 1406883181 /nfs/dbraw/zinc/88/31/81/1406883181.db2.gz ZFXKNTOQBILBAF-OAHLLOKOSA-N 0 1 381.473 3.337 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3cccnc3N3CCCC3)CC2)cc1 ZINC000055208128 1406903311 /nfs/dbraw/zinc/90/33/11/1406903311.db2.gz IQCDZFMXBNHVEC-UHFFFAOYSA-N 0 1 378.520 3.338 20 0 GGADMN Cc1nc2ccc(NC(=O)CCc3nc(=O)c4c5c(sc4[nH]3)CCC5)cc2[nH]1 ZINC000055230275 1406908069 /nfs/dbraw/zinc/90/80/69/1406908069.db2.gz RAMJRJAWMUAACS-UHFFFAOYSA-N 0 1 393.472 3.229 20 0 GGADMN CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1=O ZINC000055228366 1406908304 /nfs/dbraw/zinc/90/83/04/1406908304.db2.gz TWXLIYYESOYEIU-CQSZACIVSA-N 0 1 378.432 3.262 20 0 GGADMN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2[nH]1 ZINC000055230124 1406907802 /nfs/dbraw/zinc/90/78/02/1406907802.db2.gz AWAWTEOUKXPFGQ-UHFFFAOYSA-N 0 1 386.477 3.200 20 0 GGADMN CCc1nc(CC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cs1 ZINC000055229533 1406907879 /nfs/dbraw/zinc/90/78/79/1406907879.db2.gz JMKQTISZSONMSD-HOTGVXAUSA-N 0 1 387.549 3.174 20 0 GGADMN Cc1nc2ccc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)cc2[nH]1 ZINC000055229017 1406907934 /nfs/dbraw/zinc/90/79/34/1406907934.db2.gz AWORNEYMXBJUPG-UHFFFAOYSA-N 0 1 392.440 3.172 20 0 GGADMN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000055257549 1406914964 /nfs/dbraw/zinc/91/49/64/1406914964.db2.gz BFFCNDZHQPDARU-CZUORRHYSA-N 0 1 392.546 3.434 20 0 GGADMN Cc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)nnn1-c1cccc(Cl)c1 ZINC000055257978 1406915674 /nfs/dbraw/zinc/91/56/74/1406915674.db2.gz ONUIMZJKTGDFEB-MRXNPFEDSA-N 0 1 389.912 3.323 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC000055279487 1406919002 /nfs/dbraw/zinc/91/90/02/1406919002.db2.gz XYTROYSLSLEHHK-UHFFFAOYSA-N 0 1 387.480 3.126 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)c1 ZINC000055284660 1406920483 /nfs/dbraw/zinc/92/04/83/1406920483.db2.gz ZKBZRCMZAJAKFM-UHFFFAOYSA-N 0 1 378.538 3.166 20 0 GGADMN Cc1c(C(=O)N2CCCN(Cc3ccccc3C)CC2)nnn1-c1ccccc1 ZINC000055325950 1406930329 /nfs/dbraw/zinc/93/03/29/1406930329.db2.gz CFCUOLKWUIKZNK-UHFFFAOYSA-N 0 1 389.503 3.232 20 0 GGADMN COc1cc(CNCc2cccc(NS(C)(=O)=O)c2)ccc1OC(C)C ZINC000055373293 1406941474 /nfs/dbraw/zinc/94/14/74/1406941474.db2.gz RVWCWKJYMYUENU-UHFFFAOYSA-N 0 1 378.494 3.144 20 0 GGADMN CCCOc1cc(CNCc2cccc(NS(C)(=O)=O)c2)ccc1OC ZINC000055373367 1406941658 /nfs/dbraw/zinc/94/16/58/1406941658.db2.gz RHLBARWZCJUDBT-UHFFFAOYSA-N 0 1 378.494 3.145 20 0 GGADMN CS(=O)(=O)Nc1cccc(CNCc2ccc(F)c(Br)c2)c1 ZINC000055373349 1406941824 /nfs/dbraw/zinc/94/18/24/1406941824.db2.gz 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GGADMN CC(C)CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000043008298 1403689534 /nfs/dbraw/zinc/68/95/34/1403689534.db2.gz BDQPYQIJKMLMTE-UHFFFAOYSA-N 0 1 394.928 3.282 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN(C)Cc1cccc(C(N)=O)c1 ZINC000056514736 1407350468 /nfs/dbraw/zinc/35/04/68/1407350468.db2.gz HGWQHGAXTZDQFM-HXUWFJFHSA-N 0 1 384.520 3.263 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C[C@H]2CCOC2)C2CC2)N2CCCC2)cc1 ZINC000043111198 1403710445 /nfs/dbraw/zinc/71/04/45/1403710445.db2.gz BARGSNDCGZGUDC-UTKZUKDTSA-N 0 1 387.524 3.043 20 0 GGADMN O=C(NCc1cc(-c2ccccc2)no1)NCC1(N2CCOCC2)CCCCC1 ZINC000043138636 1403715082 /nfs/dbraw/zinc/71/50/82/1403715082.db2.gz NRLBYVPUSGVGCK-UHFFFAOYSA-N 0 1 398.507 3.176 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCCCc2c[nH]nc2C)N2CCCCC2)cc1 ZINC000043138904 1403715539 /nfs/dbraw/zinc/71/55/39/1403715539.db2.gz FXWUDRBHXVCNSH-OAQYLSRUSA-N 0 1 399.539 3.186 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2ccc(O)cc2)N2CCCCC2)cc1 ZINC000043138901 1403715699 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GGADMN CN(C)[C@H](CNC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)c1cccs1 ZINC000043145463 1403718998 /nfs/dbraw/zinc/71/89/98/1403718998.db2.gz IBYXNKDCXBJPLP-OAHLLOKOSA-N 0 1 396.557 3.050 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000043167823 1403723533 /nfs/dbraw/zinc/72/35/33/1403723533.db2.gz FWTANMKWKIMCNG-ICSRJNTNSA-N 0 1 387.455 3.339 20 0 GGADMN COCCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000043167465 1403723792 /nfs/dbraw/zinc/72/37/92/1403723792.db2.gz BBCKPTFDZSITCM-KRWDZBQOSA-N 0 1 377.510 3.336 20 0 GGADMN CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000043167932 1403724514 /nfs/dbraw/zinc/72/45/14/1403724514.db2.gz VUBXZMDFOUUIPT-SFHVURJKSA-N 0 1 398.507 3.358 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc(OC)c1OC ZINC000043170495 1403725349 /nfs/dbraw/zinc/72/53/49/1403725349.db2.gz ATNSFXBQZYROIX-MRXNPFEDSA-N 0 1 391.443 3.276 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc(OC)c1OC ZINC000043170554 1403725523 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CC(C)(CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1CCOCC1 ZINC000043302175 1403743676 /nfs/dbraw/zinc/74/36/76/1403743676.db2.gz CNEIELFECCBKSV-FQEVSTJZSA-N 0 1 385.483 3.206 20 0 GGADMN Cc1cc(C)[nH]c(=NNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000043307216 1403744616 /nfs/dbraw/zinc/74/46/16/1403744616.db2.gz CPWWIPLNFXYHBH-QGZVFWFLSA-N 0 1 388.903 3.210 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCn3cccc3[C@H]2C)N2CCCC2)c1 ZINC000043307045 1403745181 /nfs/dbraw/zinc/74/51/81/1403745181.db2.gz QSVOVICCJOJULG-DYESRHJHSA-N 0 1 382.508 3.420 20 0 GGADMN CCc1nnc(NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)s1 ZINC000043345614 1403751034 /nfs/dbraw/zinc/75/10/34/1403751034.db2.gz NHYVBKIFHRFZDE-HNNXBMFYSA-N 0 1 375.498 3.068 20 0 GGADMN CCc1nnc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)s1 ZINC000043345735 1403751145 /nfs/dbraw/zinc/75/11/45/1403751145.db2.gz PXIDYRLLZDYRBM-CQSZACIVSA-N 0 1 375.498 3.068 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2nnc(C3CC3)s2)N2CCCC2)c1 ZINC000043360150 1403752228 /nfs/dbraw/zinc/75/22/28/1403752228.db2.gz HACYHDONEVLAQT-INIZCTEOSA-N 0 1 387.509 3.383 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000043387042 1403755269 /nfs/dbraw/zinc/75/52/69/1403755269.db2.gz BCGIFWHDJPBOSG-INIZCTEOSA-N 0 1 381.476 3.350 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000043387039 1403755479 /nfs/dbraw/zinc/75/54/79/1403755479.db2.gz BCGIFWHDJPBOSG-MRXNPFEDSA-N 0 1 381.476 3.350 20 0 GGADMN CN(Cc1ccccc1NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000043391112 1403757246 /nfs/dbraw/zinc/75/72/46/1403757246.db2.gz TUJQACHSDQDGDL-SFHVURJKSA-N 0 1 393.553 3.102 20 0 GGADMN Cn1ncc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1-n1cccc1 ZINC000043482588 1403768661 /nfs/dbraw/zinc/76/86/61/1403768661.db2.gz QNQCAHUJZNVFEN-UHFFFAOYSA-N 0 1 397.910 3.259 20 0 GGADMN O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000043484711 1403769541 /nfs/dbraw/zinc/76/95/41/1403769541.db2.gz CEDKTEPQHCAHPI-UHFFFAOYSA-N 0 1 383.839 3.214 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000043487452 1403771673 /nfs/dbraw/zinc/77/16/73/1403771673.db2.gz PEHZNRBYSWQFFO-GOSISDBHSA-N 0 1 384.480 3.330 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCOc1cccc(F)c1 ZINC000043489804 1403772455 /nfs/dbraw/zinc/77/24/55/1403772455.db2.gz UZIMGLKMSIRTMI-UHFFFAOYSA-N 0 1 386.471 3.086 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)N1CCc2ccccc2C1 ZINC000043492381 1403773717 /nfs/dbraw/zinc/77/37/17/1403773717.db2.gz OMDTWSYOBMRFMW-INIZCTEOSA-N 0 1 381.476 3.416 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cc(Cl)ccc1F ZINC000043527498 1403779836 /nfs/dbraw/zinc/77/98/36/1403779836.db2.gz SXPLLWNVDNNMET-MRXNPFEDSA-N 0 1 377.847 3.020 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547365 1403783492 /nfs/dbraw/zinc/78/34/92/1403783492.db2.gz DSRUUUBYVOVWPB-MRXNPFEDSA-N 0 1 379.574 3.181 20 0 GGADMN CCCc1nnc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)s1 ZINC000043557447 1403785262 /nfs/dbraw/zinc/78/52/62/1403785262.db2.gz YFFBORRRSFFNFW-MRXNPFEDSA-N 0 1 389.525 3.458 20 0 GGADMN CCCc1nnc(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)s1 ZINC000043557445 1403785282 /nfs/dbraw/zinc/78/52/82/1403785282.db2.gz YFFBORRRSFFNFW-INIZCTEOSA-N 0 1 389.525 3.458 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000043574116 1403787363 /nfs/dbraw/zinc/78/73/63/1403787363.db2.gz WYGMEVXJTLUMCS-IBGZPJMESA-N 0 1 384.455 3.377 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)N1CCN(C)CC1 ZINC000043636244 1403794728 /nfs/dbraw/zinc/79/47/28/1403794728.db2.gz NJCOYOMNCDKQHU-QGZVFWFLSA-N 0 1 387.553 3.204 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000043669032 1403800010 /nfs/dbraw/zinc/80/00/10/1403800010.db2.gz VCMCGDXOQSEFHW-SFHVURJKSA-N 0 1 388.443 3.217 20 0 GGADMN CNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000043672797 1403800972 /nfs/dbraw/zinc/80/09/72/1403800972.db2.gz ZYLKQGWMURAYDN-LJQANCHMSA-N 0 1 396.491 3.013 20 0 GGADMN CC(=O)CCCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000043681075 1403802262 /nfs/dbraw/zinc/80/22/62/1403802262.db2.gz CLAQWTFUTQUTMZ-UHFFFAOYSA-N 0 1 393.436 3.461 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2ccc(C(N)=O)cc2)N2CCCCC2)cc1 ZINC000043714090 1403806206 /nfs/dbraw/zinc/80/62/06/1403806206.db2.gz RJGPJSZNQNRRGG-FQEVSTJZSA-N 0 1 396.491 3.143 20 0 GGADMN NC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000043713547 1403806279 /nfs/dbraw/zinc/80/62/79/1403806279.db2.gz HETODTDMUWSZGK-UHFFFAOYSA-N 0 1 386.883 3.225 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2cccc(C(N)=O)c2)N2CCCCC2)cc1 ZINC000043716959 1403806995 /nfs/dbraw/zinc/80/69/95/1403806995.db2.gz DKKSONGKFYUESK-HXUWFJFHSA-N 0 1 396.491 3.143 20 0 GGADMN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)n(-c2ccccn2)n1 ZINC000043724515 1403807537 /nfs/dbraw/zinc/80/75/37/1403807537.db2.gz CWODFZWGFKPFLR-UHFFFAOYSA-N 0 1 390.491 3.316 20 0 GGADMN O=C(NCc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000043725999 1403808332 /nfs/dbraw/zinc/80/83/32/1403808332.db2.gz TZMIBCOULBOBQY-UHFFFAOYSA-N 0 1 390.434 3.147 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccs1 ZINC000043733787 1403809555 /nfs/dbraw/zinc/80/95/55/1403809555.db2.gz MEUZOUJRVCAALO-IEBWSBKVSA-N 0 1 397.544 3.009 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000043738240 1403809589 /nfs/dbraw/zinc/80/95/89/1403809589.db2.gz NNBMRANFTRNPOA-UHFFFAOYSA-N 0 1 399.804 3.317 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)OC)ccc2Cl)cc1 ZINC000043739190 1403810337 /nfs/dbraw/zinc/81/03/37/1403810337.db2.gz JKDAYWHERZCMTB-UHFFFAOYSA-N 0 1 398.868 3.173 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000043781604 1403816157 /nfs/dbraw/zinc/81/61/57/1403816157.db2.gz SUGPYPMRBBHXRA-UHFFFAOYSA-N 0 1 390.852 3.354 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000043787730 1403817205 /nfs/dbraw/zinc/81/72/05/1403817205.db2.gz UXWKVBLDZYECON-ROUUACIJSA-N 0 1 385.512 3.110 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccsc1 ZINC000043797141 1403819001 /nfs/dbraw/zinc/81/90/01/1403819001.db2.gz IDNRLWUNZGEYOU-SFHVURJKSA-N 0 1 386.521 3.409 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000043799619 1403819017 /nfs/dbraw/zinc/81/90/17/1403819017.db2.gz MVGDCYGABCSAKL-UHFFFAOYSA-N 0 1 377.492 3.284 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1C(=O)N1CCCC1 ZINC000043797728 1403819063 /nfs/dbraw/zinc/81/90/63/1403819063.db2.gz FHVYPGZHLBZROF-IBGZPJMESA-N 0 1 396.491 3.474 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCc2nc3ccccc3s2)CC1 ZINC000043799488 1403819136 /nfs/dbraw/zinc/81/91/36/1403819136.db2.gz GMMMXMTYWKIJEJ-UHFFFAOYSA-N 0 1 381.505 3.370 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000043800553 1403819677 /nfs/dbraw/zinc/81/96/77/1403819677.db2.gz GRPMKAAGRMNKKA-UHFFFAOYSA-N 0 1 388.899 3.292 20 0 GGADMN COc1ccc(CN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)c(OC)c1 ZINC000043800859 1403820018 /nfs/dbraw/zinc/82/00/18/1403820018.db2.gz RDEMXHHDESSQKD-UHFFFAOYSA-N 0 1 398.507 3.120 20 0 GGADMN COc1ccc(CN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1OC ZINC000043800861 1403820036 /nfs/dbraw/zinc/82/00/36/1403820036.db2.gz MWGPGLXHNHLNDE-UHFFFAOYSA-N 0 1 398.507 3.120 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)Cc2ccccc2C(F)(F)F)C1 ZINC000043820711 1403821588 /nfs/dbraw/zinc/82/15/88/1403821588.db2.gz SSPBKCDCINADFV-INIZCTEOSA-N 0 1 387.446 3.204 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)NC[C@@H]3CN(CC(C)C)CCO3)ccc2c1 ZINC000043820734 1403821735 /nfs/dbraw/zinc/82/17/35/1403821735.db2.gz NLPHJRFYRHBVJD-JOCHJYFZSA-N 0 1 399.535 3.347 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2csc3ccccc23)C1 ZINC000043821620 1403821753 /nfs/dbraw/zinc/82/17/53/1403821753.db2.gz VTWRXGKTAWQUOV-QGZVFWFLSA-N 0 1 375.538 3.400 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)NC[C@@H](C)N3CCc4ccccc4C3)ccc21 ZINC000043825282 1403822982 /nfs/dbraw/zinc/82/29/82/1403822982.db2.gz YTKRHOOOLZVRMC-MRXNPFEDSA-N 0 1 392.503 3.164 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)N3CCCN(Cc4ccccc4)CC3)ccc21 ZINC000043826328 1403823227 /nfs/dbraw/zinc/82/32/27/1403823227.db2.gz ZXUIZQGWOOBKPS-UHFFFAOYSA-N 0 1 392.503 3.335 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000043830356 1403824955 /nfs/dbraw/zinc/82/49/55/1403824955.db2.gz LDSCBOANKAIIJE-IBGZPJMESA-N 0 1 395.569 3.277 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1 ZINC000043846869 1403829230 /nfs/dbraw/zinc/82/92/30/1403829230.db2.gz KGCLKDRQTFMSJJ-KRWDZBQOSA-N 0 1 392.503 3.382 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(F)c1 ZINC000043847830 1403830138 /nfs/dbraw/zinc/83/01/38/1403830138.db2.gz JEROJKZRFKZOBX-LJQANCHMSA-N 0 1 384.455 3.377 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000043850674 1403831360 /nfs/dbraw/zinc/83/13/60/1403831360.db2.gz BKTDILYWYZQHPQ-LJQANCHMSA-N 0 1 397.523 3.228 20 0 GGADMN C[C@@H]1Oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2NC1=O ZINC000043872802 1403837892 /nfs/dbraw/zinc/83/78/92/1403837892.db2.gz IZPDBWNKFODXIJ-WMLDXEAASA-N 0 1 398.463 3.348 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000043874984 1403839093 /nfs/dbraw/zinc/83/90/93/1403839093.db2.gz GJJINNDMTNMDNJ-SFHVURJKSA-N 0 1 382.464 3.130 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)N1CCc2ccccc2C1 ZINC000043916394 1403843944 /nfs/dbraw/zinc/84/39/44/1403843944.db2.gz IWVQCSRZEMYBLW-INIZCTEOSA-N 0 1 392.503 3.147 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000043918308 1403844763 /nfs/dbraw/zinc/84/47/63/1403844763.db2.gz MWLQLOJPSBBAQD-SFHVURJKSA-N 0 1 382.464 3.130 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000043918305 1403844814 /nfs/dbraw/zinc/84/48/14/1403844814.db2.gz MWLQLOJPSBBAQD-GOSISDBHSA-N 0 1 382.464 3.130 20 0 GGADMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000043936560 1403848967 /nfs/dbraw/zinc/84/89/67/1403848967.db2.gz UUFCGGMMKHMNNJ-AWEZNQCLSA-N 0 1 378.498 3.456 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)N2CCN(CC(C)C)CC2)c(C(F)(F)F)c1 ZINC000043950371 1403851569 /nfs/dbraw/zinc/85/15/69/1403851569.db2.gz TUOLUOJMDFCBSN-UHFFFAOYSA-N 0 1 386.418 3.469 20 0 GGADMN CCS(=O)(=O)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000043953012 1403852246 /nfs/dbraw/zinc/85/22/46/1403852246.db2.gz VMCIUDZOHMCFAT-GOSISDBHSA-N 0 1 393.484 3.044 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccccc2OCC(F)(F)F)C[C@H](C)O1 ZINC000043959033 1403853091 /nfs/dbraw/zinc/85/30/91/1403853091.db2.gz UATCCUBNEBCLKJ-KBPBESRZSA-N 0 1 389.418 3.249 20 0 GGADMN Cc1c(C(=O)Nc2ccccc2N2CCN(C)CC2)cnn1-c1ccc(C)cc1 ZINC000044011693 1403859575 /nfs/dbraw/zinc/85/95/75/1403859575.db2.gz GEEQQCLVGGBBNS-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccs1 ZINC000044014540 1403860200 /nfs/dbraw/zinc/86/02/00/1403860200.db2.gz VAJOCERUGMVYFY-QGZVFWFLSA-N 0 1 386.521 3.409 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000044016032 1403860896 /nfs/dbraw/zinc/86/08/96/1403860896.db2.gz UFTVJHXWGSMHGP-SFHVURJKSA-N 0 1 376.407 3.348 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(OC(F)(F)F)c2)C[C@@H](C)O1 ZINC000044017927 1403861660 /nfs/dbraw/zinc/86/16/60/1403861660.db2.gz LKNIZJWIANSSDS-CHWSQXEVSA-N 0 1 375.391 3.206 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc1C ZINC000044048868 1403867699 /nfs/dbraw/zinc/86/76/99/1403867699.db2.gz MTAMLBIFZCZFLX-UHFFFAOYSA-N 0 1 388.512 3.110 20 0 GGADMN CC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000044076389 1403870797 /nfs/dbraw/zinc/87/07/97/1403870797.db2.gz NYSAHYRFFIJMGU-CQSZACIVSA-N 0 1 384.455 3.352 20 0 GGADMN Cc1cc(NC(=O)NCCN2CCc3ccccc3C2)n(Cc2ccccc2)n1 ZINC000044074743 1403870855 /nfs/dbraw/zinc/87/08/55/1403870855.db2.gz LAOKECMZZCBWPZ-UHFFFAOYSA-N 0 1 389.503 3.420 20 0 GGADMN CC(C)Cc1ccc(C(=O)C2CCN(C(=S)NCCN(C)C)CC2)cc1 ZINC000044093475 1403874812 /nfs/dbraw/zinc/87/48/12/1403874812.db2.gz MMDAWEAWWKMPLG-UHFFFAOYSA-N 0 1 375.582 3.216 20 0 GGADMN COc1ccc(NC(=S)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000044132427 1403881368 /nfs/dbraw/zinc/88/13/68/1403881368.db2.gz WWIQYECFOBRUDT-UHFFFAOYSA-N 0 1 398.576 3.190 20 0 GGADMN COc1ccccc1NC(=S)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000044132369 1403881394 /nfs/dbraw/zinc/88/13/94/1403881394.db2.gz BAXPQHPEHXNUMD-UHFFFAOYSA-N 0 1 398.576 3.190 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000044141091 1403882770 /nfs/dbraw/zinc/88/27/70/1403882770.db2.gz CBGNZRQTOLVVFE-SFHVURJKSA-N 0 1 386.521 3.409 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000044149831 1403887125 /nfs/dbraw/zinc/88/71/25/1403887125.db2.gz SKCXEWQHQQVKMU-LJQANCHMSA-N 0 1 398.507 3.305 20 0 GGADMN CCOC(=O)COc1cccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000044150948 1403887681 /nfs/dbraw/zinc/88/76/81/1403887681.db2.gz UDNJZAGBJKEPOH-KRWDZBQOSA-N 0 1 391.493 3.114 20 0 GGADMN Cc1csc([C@H](C#N)C(=O)COC(=O)c2cnn(-c3ccc(C)cc3)c2C)n1 ZINC000044153548 1403889283 /nfs/dbraw/zinc/88/92/83/1403889283.db2.gz IVJNHWBVBXEPLK-MRXNPFEDSA-N 0 1 394.456 3.287 20 0 GGADMN Cc1csc(C(C#N)C(=O)COC(=O)c2cnn(-c3ccc(C)cc3)c2C)n1 ZINC000044153548 1403889292 /nfs/dbraw/zinc/88/92/92/1403889292.db2.gz IVJNHWBVBXEPLK-MRXNPFEDSA-N 0 1 394.456 3.287 20 0 GGADMN CCN1CCC[C@H]1CNC(=S)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000044182422 1403896221 /nfs/dbraw/zinc/89/62/21/1403896221.db2.gz BXEAZORYOOMYPV-INIZCTEOSA-N 0 1 395.519 3.218 20 0 GGADMN CCOC(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000044222046 1403902835 /nfs/dbraw/zinc/90/28/35/1403902835.db2.gz ITYWFTVHZPNROO-UHFFFAOYSA-N 0 1 398.532 3.209 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cccc(Cn2cccn2)c1 ZINC000044247701 1403908320 /nfs/dbraw/zinc/90/83/20/1403908320.db2.gz WNOVQBYUGPYXOL-UHFFFAOYSA-N 0 1 375.476 3.111 20 0 GGADMN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(F)cc1Cl ZINC000044256510 1403909386 /nfs/dbraw/zinc/90/93/86/1403909386.db2.gz GNXAMZJFMHJCSR-UHFFFAOYSA-N 0 1 393.831 3.268 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000044298339 1403914930 /nfs/dbraw/zinc/91/49/30/1403914930.db2.gz SGJHAAORBMPGPT-KRWDZBQOSA-N 0 1 383.492 3.280 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000044310279 1403918434 /nfs/dbraw/zinc/91/84/34/1403918434.db2.gz PGFLNGIABUOGQQ-MRXNPFEDSA-N 0 1 389.418 3.106 20 0 GGADMN CC(C)CN1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 ZINC000044315172 1403919662 /nfs/dbraw/zinc/91/96/62/1403919662.db2.gz SDHNKHIOAKSTBF-UHFFFAOYSA-N 0 1 388.462 3.053 20 0 GGADMN CCN(Cc1ccccc1NC(=O)NCCN1CCc2ccccc2C1)C(C)=O ZINC000044383876 1403928684 /nfs/dbraw/zinc/92/86/84/1403928684.db2.gz SZWSBOSJCLKYMV-UHFFFAOYSA-N 0 1 394.519 3.235 20 0 GGADMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cnn1C(C)(C)C ZINC000044503106 1403939484 /nfs/dbraw/zinc/93/94/84/1403939484.db2.gz BIDIWAKSCBBAEF-UHFFFAOYSA-N 0 1 397.567 3.197 20 0 GGADMN Cn1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(N)=O ZINC000044667924 1403979989 /nfs/dbraw/zinc/97/99/89/1403979989.db2.gz VVJYZPPWDOKTRZ-UHFFFAOYSA-N 0 1 387.486 3.076 20 0 GGADMN CN(C)[C@H](CNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)c1cccs1 ZINC000044669351 1403980732 /nfs/dbraw/zinc/98/07/32/1403980732.db2.gz RIJURFQLICERIO-VWGXWWAPSA-N 0 1 383.517 3.073 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)CC1=O ZINC000044719274 1403990039 /nfs/dbraw/zinc/99/00/39/1403990039.db2.gz PBSBIFPYLXLGJG-PBEJRMEISA-N 0 1 397.494 3.154 20 0 GGADMN CCCN(CCC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000044756833 1403995887 /nfs/dbraw/zinc/99/58/87/1403995887.db2.gz WGCSITMTPPXROY-QGZVFWFLSA-N 0 1 382.302 3.296 20 0 GGADMN O=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCCc2ccccc21 ZINC000044818220 1404006855 /nfs/dbraw/zinc/00/68/55/1404006855.db2.gz URVRLFILRRTDGH-UHFFFAOYSA-N 0 1 393.468 3.475 20 0 GGADMN CSc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1NC(C)=O ZINC000044816796 1404006892 /nfs/dbraw/zinc/00/68/92/1404006892.db2.gz STJDSLZZDZDDCU-SFHVURJKSA-N 0 1 383.517 3.371 20 0 GGADMN C[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000044835007 1404009342 /nfs/dbraw/zinc/00/93/42/1404009342.db2.gz FJTCLCRLUUZSCQ-BEFAXECRSA-N 0 1 391.943 3.288 20 0 GGADMN COc1ccc(COCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000044837250 1404009848 /nfs/dbraw/zinc/00/98/48/1404009848.db2.gz JSMLUXBTYRFKJC-QFIPXVFZSA-N 0 1 398.503 3.174 20 0 GGADMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C2CC2)[nH]n1 ZINC000044858512 1404013140 /nfs/dbraw/zinc/01/31/40/1404013140.db2.gz ICIRTJQHZBPUKT-UHFFFAOYSA-N 0 1 380.370 3.195 20 0 GGADMN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000044858043 1404013883 /nfs/dbraw/zinc/01/38/83/1404013883.db2.gz MLCDBERBHVMLKG-CYBMUJFWSA-N 0 1 381.505 3.416 20 0 GGADMN COc1ccc(COCC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000044870096 1404014126 /nfs/dbraw/zinc/01/41/26/1404014126.db2.gz WYMJYPRUEISTSY-OAQYLSRUSA-N 0 1 398.503 3.174 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2NC1=O ZINC000045000872 1404033465 /nfs/dbraw/zinc/03/34/65/1404033465.db2.gz BESQSSQLGTTWHA-CQSZACIVSA-N 0 1 396.516 3.123 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC(OCc2ccccc2)CC1 ZINC000045042442 1404043414 /nfs/dbraw/zinc/04/34/14/1404043414.db2.gz SVFDCFCGLYXFRA-UHFFFAOYSA-N 0 1 393.531 3.436 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1[nH]c2ccccc2c1Cl ZINC000045080122 1404050079 /nfs/dbraw/zinc/05/00/79/1404050079.db2.gz NHEOKWOLYXECLP-UHFFFAOYSA-N 0 1 396.922 3.369 20 0 GGADMN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000045083522 1404050665 /nfs/dbraw/zinc/05/06/65/1404050665.db2.gz UYIFVBVGYXJPNB-QGZVFWFLSA-N 0 1 389.565 3.142 20 0 GGADMN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000045085996 1404051180 /nfs/dbraw/zinc/05/11/80/1404051180.db2.gz GKKBRQYYSSFAAM-ZHACJKMWSA-N 0 1 395.547 3.025 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045120352 1404056953 /nfs/dbraw/zinc/05/69/53/1404056953.db2.gz NLNATIFCUBIJCB-KRWDZBQOSA-N 0 1 382.508 3.423 20 0 GGADMN 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ZINC000046358946 1404382414 /nfs/dbraw/zinc/38/24/14/1404382414.db2.gz PLOGODWVCSJRFF-OAHLLOKOSA-N 0 1 390.534 3.400 20 0 GGADMN CNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1Cl ZINC000056693538 1407401076 /nfs/dbraw/zinc/40/10/76/1407401076.db2.gz LVVPWSFSXHGZED-KRWDZBQOSA-N 0 1 392.862 3.263 20 0 GGADMN C[C@@H]1CCCN(CCNC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000046377474 1404388606 /nfs/dbraw/zinc/38/86/06/1404388606.db2.gz PGWHPKJVZBVGJB-OAHLLOKOSA-N 0 1 393.478 3.301 20 0 GGADMN COc1ccc(C(=O)C2CCN(C(=O)NCCN3CCC[C@@H](C)C3)CC2)cc1 ZINC000046377647 1404389188 /nfs/dbraw/zinc/38/91/88/1404389188.db2.gz JVBNDUMKQJLSAP-QGZVFWFLSA-N 0 1 387.524 3.031 20 0 GGADMN CN1CCN(CCCNC(=O)CCC(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000046388222 1404392740 /nfs/dbraw/zinc/39/27/40/1404392740.db2.gz BUDBNVKOFOBDEH-QFIPXVFZSA-N 0 1 393.531 3.145 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)CCOc3ccccc3)CC2)c1 ZINC000046447855 1404420004 /nfs/dbraw/zinc/42/00/04/1404420004.db2.gz SHHREEBKLIBNDP-UHFFFAOYSA-N 0 1 381.520 3.092 20 0 GGADMN COc1cccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000046550123 1404474818 /nfs/dbraw/zinc/47/48/18/1404474818.db2.gz KWPSCMGMOWSGMM-JOCHJYFZSA-N 0 1 392.499 3.410 20 0 GGADMN COc1ccc2c(ccn2CC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000046565527 1404486217 /nfs/dbraw/zinc/48/62/17/1404486217.db2.gz COGIZPVFVAIXMI-UHFFFAOYSA-N 0 1 392.503 3.349 20 0 GGADMN CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000046649161 1404533551 /nfs/dbraw/zinc/53/35/51/1404533551.db2.gz VJVUREWDIPRIOJ-GOSISDBHSA-N 0 1 389.540 3.289 20 0 GGADMN C[N@@H+](CCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)Cc1ccccc1 ZINC000046660640 1404538764 /nfs/dbraw/zinc/53/87/64/1404538764.db2.gz PEJFWBUTAKSTAU-UHFFFAOYSA-N 0 1 382.489 3.250 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000046707305 1404559779 /nfs/dbraw/zinc/55/97/79/1404559779.db2.gz KOMPPANJEUKMFT-UHFFFAOYSA-N 0 1 377.532 3.426 20 0 GGADMN CCOc1cccc2c1OCC(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)=C2 ZINC000046765690 1404582220 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GGADMN Cc1cccc(N2CCN(CCCNC(=O)N3CCn4cccc4[C@H]3C)CC2)c1 ZINC000046867782 1404618815 /nfs/dbraw/zinc/61/88/15/1404618815.db2.gz MVGKYFWVPGYRHQ-HXUWFJFHSA-N 0 1 395.551 3.095 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N3CCc4sccc4C3)CC2)c1 ZINC000046867389 1404619117 /nfs/dbraw/zinc/61/91/17/1404619117.db2.gz XWIIJIKHFXQJLP-UHFFFAOYSA-N 0 1 398.576 3.337 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCCOC3)cc2Cl)CC1 ZINC000056743215 1407417004 /nfs/dbraw/zinc/41/70/04/1407417004.db2.gz ULQIXMKBXHRIOW-INIZCTEOSA-N 0 1 394.947 3.420 20 0 GGADMN O=C(NC[C@@H]1Cc2ccccc2O1)NNc1ncc(C(F)(F)F)cc1Cl ZINC000046876699 1404620671 /nfs/dbraw/zinc/62/06/71/1404620671.db2.gz XVNLSIAOXPVGQH-NSHDSACASA-N 0 1 386.761 3.384 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000046933788 1404639644 /nfs/dbraw/zinc/63/96/44/1404639644.db2.gz ANPINIZQZZQDBT-UHFFFAOYSA-N 0 1 379.504 3.344 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)CCCc3nc(C(C)(C)C)no3)cc2)CC1 ZINC000046934102 1404640349 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O=C(Cc1cc2ccccc2[nH]c1=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000047049017 1404688036 /nfs/dbraw/zinc/68/80/36/1404688036.db2.gz YZMHQOFONPKVJS-LJQANCHMSA-N 0 1 379.460 3.007 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000047053826 1404689515 /nfs/dbraw/zinc/68/95/15/1404689515.db2.gz XSTKHZYWDNSWER-MRXNPFEDSA-N 0 1 377.554 3.223 20 0 GGADMN CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000047063421 1404692876 /nfs/dbraw/zinc/69/28/76/1404692876.db2.gz KACNAIYEASSXMV-UHFFFAOYSA-N 0 1 396.472 3.370 20 0 GGADMN COC(=O)CCCCCCNC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000047069606 1404695029 /nfs/dbraw/zinc/69/50/29/1404695029.db2.gz COWNPLYRFKKWQB-UHFFFAOYSA-N 0 1 389.540 3.336 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000047079113 1404699554 /nfs/dbraw/zinc/69/95/54/1404699554.db2.gz UBMVSAAQSHKVRL-INIZCTEOSA-N 0 1 385.420 3.351 20 0 GGADMN C[C@H]1C[C@@H]1CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000047098924 1404705869 /nfs/dbraw/zinc/70/58/69/1404705869.db2.gz HIIVRHUZHRBWSR-DOTOQJQBSA-N 0 1 389.459 3.139 20 0 GGADMN C[C@H]1C[C@H]1CNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000047098926 1404706133 /nfs/dbraw/zinc/70/61/33/1404706133.db2.gz HIIVRHUZHRBWSR-RDJZCZTQSA-N 0 1 389.459 3.139 20 0 GGADMN COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000047107813 1404708384 /nfs/dbraw/zinc/70/83/84/1404708384.db2.gz MOSKKYLKUXYJRT-UHFFFAOYSA-N 0 1 377.404 3.082 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826373771 1425705886 /nfs/dbraw/zinc/70/58/86/1425705886.db2.gz YXVDYIGGFGMOEI-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCCNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000047189571 1404739691 /nfs/dbraw/zinc/73/96/91/1404739691.db2.gz JBSJHCWLHDWQER-RHSMWYFYSA-N 0 1 389.521 3.161 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000047189569 1404740202 /nfs/dbraw/zinc/74/02/02/1404740202.db2.gz JBSJHCWLHDWQER-PBHICJAKSA-N 0 1 389.521 3.161 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1F ZINC000047201843 1404745330 /nfs/dbraw/zinc/74/53/30/1404745330.db2.gz TWVRNPIIKDPHHU-UHFFFAOYSA-N 0 1 394.450 3.179 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccn4)C3)n[nH]2)cc1 ZINC000047237708 1404761827 /nfs/dbraw/zinc/76/18/27/1404761827.db2.gz DTRSSYDDVIYGLH-KRWDZBQOSA-N 0 1 389.459 3.271 20 0 GGADMN CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000047260282 1404772753 /nfs/dbraw/zinc/77/27/53/1404772753.db2.gz OWRCJGHWDBLKGL-XLIONFOSSA-N 0 1 394.519 3.172 20 0 GGADMN C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262333 1404775186 /nfs/dbraw/zinc/77/51/86/1404775186.db2.gz BOZCVZPDSYDCDM-GJZGRUSLSA-N 0 1 392.931 3.223 20 0 GGADMN CC(C)N(C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)C(C)C ZINC000047262478 1404776561 /nfs/dbraw/zinc/77/65/61/1404776561.db2.gz OXUNNWMRFRAYKV-UHFFFAOYSA-N 0 1 380.920 3.031 20 0 GGADMN COc1ccc2ccc(O)c(CN3CCN(C(=O)Cc4ccccc4)CC3)c2c1 ZINC000047272279 1404778574 /nfs/dbraw/zinc/77/85/74/1404778574.db2.gz CQYUCLKFSOOFQC-UHFFFAOYSA-N 0 1 390.483 3.441 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2cc(-c3nn[n-]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226233 1425821271 /nfs/dbraw/zinc/82/12/71/1425821271.db2.gz GHQRJXYUCOSYBJ-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736226233 1425821288 /nfs/dbraw/zinc/82/12/88/1425821288.db2.gz GHQRJXYUCOSYBJ-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@@H](N(C)Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226233 1425821289 /nfs/dbraw/zinc/82/12/89/1425821289.db2.gz GHQRJXYUCOSYBJ-UZLBHIALSA-N 0 1 394.498 3.491 20 0 GGADMN O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000047292326 1404791032 /nfs/dbraw/zinc/79/10/32/1404791032.db2.gz PWOBCNWHWWLROQ-OAHLLOKOSA-N 0 1 393.422 3.102 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cn2nc(C)c(Cl)c2C)N2CCCC2)c1 ZINC000047301831 1404795763 /nfs/dbraw/zinc/79/57/63/1404795763.db2.gz VMLMPIDANCDENA-SFHVURJKSA-N 0 1 390.915 3.115 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000047302236 1404795803 /nfs/dbraw/zinc/79/58/03/1404795803.db2.gz MBQPJVRNUVVEIE-KRWDZBQOSA-N 0 1 393.516 3.475 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000047302237 1404796073 /nfs/dbraw/zinc/79/60/73/1404796073.db2.gz MBQPJVRNUVVEIE-QGZVFWFLSA-N 0 1 393.516 3.475 20 0 GGADMN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000047303420 1404797244 /nfs/dbraw/zinc/79/72/44/1404797244.db2.gz KEPBQWHMIZNPLP-UHFFFAOYSA-N 0 1 394.544 3.316 20 0 GGADMN COc1cccc([C@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000047304092 1404797470 /nfs/dbraw/zinc/79/74/70/1404797470.db2.gz YGIJOLJLJSJQRQ-HSZRJFAPSA-N 0 1 393.531 3.420 20 0 GGADMN C[C@@H](OCCCNC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000047304707 1404798167 /nfs/dbraw/zinc/79/81/67/1404798167.db2.gz NYWVIIUENSJGNM-HXUWFJFHSA-N 0 1 395.547 3.332 20 0 GGADMN CCOc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1OCC ZINC000047305009 1404798497 /nfs/dbraw/zinc/79/84/97/1404798497.db2.gz ATINVDGBVZCZHT-UHFFFAOYSA-N 0 1 397.519 3.484 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)c3scnc3Cl)CC2)c1 ZINC000047306348 1404799614 /nfs/dbraw/zinc/79/96/14/1404799614.db2.gz RRQBDFBFECNMJQ-UHFFFAOYSA-N 0 1 378.929 3.047 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnn(Cc2ccccc2Cl)c1 ZINC000047342924 1404811433 /nfs/dbraw/zinc/81/14/33/1404811433.db2.gz XXVAFODBBKTEGL-UHFFFAOYSA-N 0 1 379.811 3.017 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000047343021 1404811617 /nfs/dbraw/zinc/81/16/17/1404811617.db2.gz VXLCHHVDUSSFQW-UHFFFAOYSA-N 0 1 394.435 3.395 20 0 GGADMN CC(=O)CCc1ccc(OCC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000047349015 1404812807 /nfs/dbraw/zinc/81/28/07/1404812807.db2.gz ZQNUVIWPYRQZKS-UHFFFAOYSA-N 0 1 394.515 3.322 20 0 GGADMN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC(CN2CCOCC2)CC1 ZINC000047387031 1404822983 /nfs/dbraw/zinc/82/29/83/1404822983.db2.gz NKSUMVAKOZETPB-UHFFFAOYSA-N 0 1 381.520 3.231 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(CC2CC2)CC1 ZINC000047395189 1404825294 /nfs/dbraw/zinc/82/52/94/1404825294.db2.gz YSKWXUCKGRYBQO-UHFFFAOYSA-N 0 1 393.413 3.451 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1OC ZINC000047423052 1404832595 /nfs/dbraw/zinc/83/25/95/1404832595.db2.gz OJMYHSKPENNNHC-UHFFFAOYSA-N 0 1 390.524 3.059 20 0 GGADMN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000047423127 1404832899 /nfs/dbraw/zinc/83/28/99/1404832899.db2.gz FXPXLTNTYVTXCZ-GOSISDBHSA-N 0 1 388.552 3.322 20 0 GGADMN CCCCOc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000047433061 1404834641 /nfs/dbraw/zinc/83/46/41/1404834641.db2.gz OCOKXKGENYRINK-IAGOWNOFSA-N 0 1 378.513 3.103 20 0 GGADMN Cc1ccc(-c2cnc(CCC(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000047434295 1404835237 /nfs/dbraw/zinc/83/52/37/1404835237.db2.gz RXUYHHQFOJZULX-QZTJIDSGSA-N 0 1 385.508 3.198 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cccnc2Sc2ccccc2)C[C@H](C)O1 ZINC000047434530 1404835329 /nfs/dbraw/zinc/83/53/29/1404835329.db2.gz RMKRPKTZJAMULL-CALCHBBNSA-N 0 1 385.533 3.462 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047453653 1404842663 /nfs/dbraw/zinc/84/26/63/1404842663.db2.gz QFHXVVGQPZJDMM-UHFFFAOYSA-N 0 1 376.460 3.372 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000047455915 1404843411 /nfs/dbraw/zinc/84/34/11/1404843411.db2.gz ZLTDFPVCAYDAML-UHFFFAOYSA-N 0 1 393.447 3.128 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1C ZINC000047485513 1404849519 /nfs/dbraw/zinc/84/95/19/1404849519.db2.gz ZMLFSKSYKZUVML-UHFFFAOYSA-N 0 1 381.480 3.135 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000047499842 1404852294 /nfs/dbraw/zinc/85/22/94/1404852294.db2.gz WWRAKGGRHWPTRU-UHFFFAOYSA-N 0 1 398.482 3.280 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cnn(C)c2)c1 ZINC000047529450 1404859687 /nfs/dbraw/zinc/85/96/87/1404859687.db2.gz XUWXLUINWCTTMX-UHFFFAOYSA-N 0 1 384.461 3.090 20 0 GGADMN COc1ccc(OC)c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047539317 1404862053 /nfs/dbraw/zinc/86/20/53/1404862053.db2.gz UOOVYRYTSBLEHS-IRXDYDNUSA-N 0 1 398.503 3.243 20 0 GGADMN Cc1noc(C)c1CCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047539113 1404862074 /nfs/dbraw/zinc/86/20/74/1404862074.db2.gz DHRBBYXQQYUBFY-IYBDPMFKSA-N 0 1 385.508 3.150 20 0 GGADMN O=C(Nc1ccc(-n2nccn2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047547197 1404864890 /nfs/dbraw/zinc/86/48/90/1404864890.db2.gz MRUBUVROFFMHAM-UHFFFAOYSA-N 0 1 394.454 3.193 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000047548628 1404864919 /nfs/dbraw/zinc/86/49/19/1404864919.db2.gz CVACWIWNTXRUBZ-UHFFFAOYSA-N 0 1 381.480 3.216 20 0 GGADMN CSCCCNC(=S)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047567305 1404869216 /nfs/dbraw/zinc/86/92/16/1404869216.db2.gz YUSQXMGJIPYUOA-HZPDHXFCSA-N 0 1 381.611 3.013 20 0 GGADMN Cc1noc2ncc(C(=O)NCc3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)cc12 ZINC000047588650 1404874396 /nfs/dbraw/zinc/87/43/96/1404874396.db2.gz ODCZTFJWPYIVMO-GJZGRUSLSA-N 0 1 394.475 3.070 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000047592100 1404875234 /nfs/dbraw/zinc/87/52/34/1404875234.db2.gz CZGHXJQJNCBTEY-SFHVURJKSA-N 0 1 397.519 3.418 20 0 GGADMN CCOCCOCc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000047605240 1404877622 /nfs/dbraw/zinc/87/76/22/1404877622.db2.gz IPAPBVPMXFOXNP-UHFFFAOYSA-N 0 1 375.513 3.332 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCc2ccccc2)cc1OC ZINC000047608974 1404879067 /nfs/dbraw/zinc/87/90/67/1404879067.db2.gz OHKWMNJLSKJCIW-HZPDHXFCSA-N 0 1 399.491 3.159 20 0 GGADMN Cc1nc2ccnn2c(C)c1CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047609283 1404879090 /nfs/dbraw/zinc/87/90/90/1404879090.db2.gz NUPFVOVPJDOGAO-IBGZPJMESA-N 0 1 395.507 3.215 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)ccc1OCC(C)C ZINC000047609341 1404879098 /nfs/dbraw/zinc/87/90/98/1404879098.db2.gz QAIBONHSCMIOMT-HOTGVXAUSA-N 0 1 393.528 3.251 20 0 GGADMN COc1ccc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047611598 1404879619 /nfs/dbraw/zinc/87/96/19/1404879619.db2.gz OHBLQAARUBTMJG-HDICACEKSA-N 0 1 397.519 3.304 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(C)n1Cc1ccccc1 ZINC000047670566 1404890793 /nfs/dbraw/zinc/89/07/93/1404890793.db2.gz ZXXWBRJBIOAMRH-OALUTQOASA-N 0 1 383.536 3.382 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)n1Cc1ccccc1 ZINC000047670562 1404890873 /nfs/dbraw/zinc/89/08/73/1404890873.db2.gz ZXXWBRJBIOAMRH-KDURUIRLSA-N 0 1 383.536 3.382 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@H](O)c2ccccc2)N2CCCCC2)cc1 ZINC000047680373 1404892240 /nfs/dbraw/zinc/89/22/40/1404892240.db2.gz IMCHEVHBFLPFEB-YADHBBJMSA-N 0 1 397.519 3.255 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1 ZINC000047697818 1404894691 /nfs/dbraw/zinc/89/46/91/1404894691.db2.gz PQLMBEBVZBVHHZ-OAHLLOKOSA-N 0 1 390.505 3.297 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000047711342 1404898597 /nfs/dbraw/zinc/89/85/97/1404898597.db2.gz ALPZWGNMMFIKDM-UHFFFAOYSA-N 0 1 383.452 3.261 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824414243 1426161254 /nfs/dbraw/zinc/16/12/54/1426161254.db2.gz XXJUDSUXTCWDQM-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824414243 1426161262 /nfs/dbraw/zinc/16/12/62/1426161262.db2.gz XXJUDSUXTCWDQM-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824414243 1426161266 /nfs/dbraw/zinc/16/12/66/1426161266.db2.gz XXJUDSUXTCWDQM-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN COCCOc1cccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000047756386 1404926228 /nfs/dbraw/zinc/92/62/28/1404926228.db2.gz XVZHUNJSZWVLHN-QGZVFWFLSA-N 0 1 383.492 3.280 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(-n3cccn3)c(F)c2)N(C)C)c1 ZINC000047767391 1404934831 /nfs/dbraw/zinc/93/48/31/1404934831.db2.gz LULZTXZBCDEPDU-HXUWFJFHSA-N 0 1 397.454 3.444 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cn1 ZINC000047777730 1404938664 /nfs/dbraw/zinc/93/86/64/1404938664.db2.gz XSDCWYOUALEBBY-SFHVURJKSA-N 0 1 386.496 3.488 20 0 GGADMN CC(C)Oc1ncccc1CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047777732 1404939670 /nfs/dbraw/zinc/93/96/70/1404939670.db2.gz AREZTOGOKGEKNO-SFHVURJKSA-N 0 1 386.496 3.488 20 0 GGADMN O=C(NCc1ccnc(N2CCCC2)c1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000047777890 1404940230 /nfs/dbraw/zinc/94/02/30/1404940230.db2.gz FIUSAKXKBNGULL-LJQANCHMSA-N 0 1 397.523 3.301 20 0 GGADMN O=C(Nc1ccc(-n2cccn2)c(F)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000047780801 1404941653 /nfs/dbraw/zinc/94/16/53/1404941653.db2.gz XKCAFMAXMFXLJJ-UHFFFAOYSA-N 0 1 394.454 3.193 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2ccc(OC)nc2)N2CCCCC2)cc1 ZINC000047793537 1404947010 /nfs/dbraw/zinc/94/70/10/1404947010.db2.gz VUJJHQKSYNTWLL-HXUWFJFHSA-N 0 1 398.507 3.125 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2ccnc(OC)c2)N2CCCCC2)cc1 ZINC000047793760 1404947538 /nfs/dbraw/zinc/94/75/38/1404947538.db2.gz ZRCJHPIBCJVFOJ-HXUWFJFHSA-N 0 1 398.507 3.125 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2nc(C)cs2)N2CCCCC2)cc1 ZINC000047793748 1404947774 /nfs/dbraw/zinc/94/77/74/1404947774.db2.gz GSKCQXLKKPQPNT-SFHVURJKSA-N 0 1 388.537 3.487 20 0 GGADMN COc1cc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc(OC)c1OC ZINC000047794654 1404948478 /nfs/dbraw/zinc/94/84/78/1404948478.db2.gz LESOWGWMOYIZCB-GOSISDBHSA-N 0 1 384.476 3.166 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cnn(C)c2C)N2CCCCC2)cc1 ZINC000047793991 1404949340 /nfs/dbraw/zinc/94/93/40/1404949340.db2.gz UPOJRBHMFSIKBF-HRAATJIYSA-N 0 1 399.539 3.325 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000047798025 1404950011 /nfs/dbraw/zinc/95/00/11/1404950011.db2.gz WVCYIASSZURKQO-MRXNPFEDSA-N 0 1 395.471 3.499 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000047797461 1404950579 /nfs/dbraw/zinc/95/05/79/1404950579.db2.gz IOHKUDYRVSSRLZ-QGZVFWFLSA-N 0 1 393.405 3.439 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000047798015 1404950608 /nfs/dbraw/zinc/95/06/08/1404950608.db2.gz JMSYOKUCERAZKS-INIZCTEOSA-N 0 1 379.403 3.030 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1Cl ZINC000047814009 1404960403 /nfs/dbraw/zinc/96/04/03/1404960403.db2.gz XZSPONPDXRAHQG-QGZVFWFLSA-N 0 1 392.862 3.263 20 0 GGADMN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1 ZINC000047830907 1404965922 /nfs/dbraw/zinc/96/59/22/1404965922.db2.gz MCUHJMGPWCPYPE-GFCCVEGCSA-N 0 1 393.436 3.188 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)c(OC)c1 ZINC000047832103 1404966565 /nfs/dbraw/zinc/96/65/65/1404966565.db2.gz VJCTXLYLZIIETG-CJNGLKHVSA-N 0 1 377.510 3.428 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000047831316 1404966902 /nfs/dbraw/zinc/96/69/02/1404966902.db2.gz FSODYUBABGXBJK-UHFFFAOYSA-N 0 1 390.392 3.209 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)NCCOc3ccccc3)cc2)C[C@H](C)O1 ZINC000047842294 1404970317 /nfs/dbraw/zinc/97/03/17/1404970317.db2.gz TUDDSCIHPRFEDX-OALUTQOASA-N 0 1 397.519 3.174 20 0 GGADMN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(C2CCCC2)CC1 ZINC000047842782 1404970363 /nfs/dbraw/zinc/97/03/63/1404970363.db2.gz AJQYQLBXFGNPRG-ZDUSSCGKSA-N 0 1 398.334 3.199 20 0 GGADMN COc1ccc(CN2CCN(Cc3cccc4cccnc43)CC2)cc1[N+](=O)[O-] ZINC000047841207 1404970377 /nfs/dbraw/zinc/97/03/77/1404970377.db2.gz XXNBKRFGGXCCCY-UHFFFAOYSA-N 0 1 392.459 3.469 20 0 GGADMN COCCOc1cc(C)ccc1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000047855689 1404974031 /nfs/dbraw/zinc/97/40/31/1404974031.db2.gz VTKIUGHQYUFEEX-UHFFFAOYSA-N 0 1 398.507 3.201 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C[C@H](C)O1 ZINC000047861658 1404975827 /nfs/dbraw/zinc/97/58/27/1404975827.db2.gz AGQOBDVQIPUSAJ-GASCZTMLSA-N 0 1 396.482 3.186 20 0 GGADMN O=C(NCc1ccc(N2CCCCC2)nc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000047871520 1404978447 /nfs/dbraw/zinc/97/84/47/1404978447.db2.gz XGCBJNZJLLKIRF-LJQANCHMSA-N 0 1 397.523 3.301 20 0 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CC(C)CS(=O)(=O)CC(=O)Nc1ccccc1CN(C)C1CCCCC1 ZINC000048157392 1405078180 /nfs/dbraw/zinc/07/81/80/1405078180.db2.gz JAWBCFSNHABRMH-UHFFFAOYSA-N 0 1 380.554 3.460 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccoc1)c1ccccc1Cl ZINC000048184092 1405090859 /nfs/dbraw/zinc/09/08/59/1405090859.db2.gz QNNMMXPWTSNZGS-RDTXWAMCSA-N 0 1 391.899 3.251 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CSCc3cccnc3)cc2)C[C@H](C)O1 ZINC000048190320 1405093286 /nfs/dbraw/zinc/09/32/86/1405093286.db2.gz NFWZKBKQLRRIOJ-HDICACEKSA-N 0 1 399.560 3.240 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H](c3cccc(F)c3)N(C)C)cn2)n1 ZINC000048211909 1405098735 /nfs/dbraw/zinc/09/87/35/1405098735.db2.gz LFBRGGARFUAXLN-LJQANCHMSA-N 0 1 396.470 3.448 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cn2)n1 ZINC000048212141 1405098793 /nfs/dbraw/zinc/09/87/93/1405098793.db2.gz BGYUROGKMKHFLO-MRXNPFEDSA-N 0 1 384.509 3.370 20 0 GGADMN Cc1c(Cl)c(CN2CCC(C(=O)N3CCOCC3)CC2)nc2ccccc12 ZINC000048216178 1405101074 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/nfs/dbraw/zinc/29/74/46/1405297446.db2.gz RPDUMWUYJBUZFY-OAQYLSRUSA-N 0 1 398.503 3.049 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)NOCc3ccccc3)cc2)C[C@H](C)O1 ZINC000048827728 1405300166 /nfs/dbraw/zinc/30/01/66/1405300166.db2.gz GLRNCQOFUMVUND-ROUUACIJSA-N 0 1 383.492 3.227 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1Cl ZINC000048842980 1405303024 /nfs/dbraw/zinc/30/30/24/1405303024.db2.gz DRVUQSAAJIGWNN-KRWDZBQOSA-N 0 1 377.847 3.145 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000048843018 1405303773 /nfs/dbraw/zinc/30/37/73/1405303773.db2.gz ICFUYLUYCNKLTP-IBGZPJMESA-N 0 1 385.483 3.481 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825980673 1426770436 /nfs/dbraw/zinc/77/04/36/1426770436.db2.gz GCVWIRXMDUEASI-UHFFFAOYSA-N 0 1 397.458 3.038 20 0 GGADMN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825980673 1426770441 /nfs/dbraw/zinc/77/04/41/1426770441.db2.gz GCVWIRXMDUEASI-UHFFFAOYSA-N 0 1 397.458 3.038 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825980673 1426770445 /nfs/dbraw/zinc/77/04/45/1426770445.db2.gz GCVWIRXMDUEASI-UHFFFAOYSA-N 0 1 397.458 3.038 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000048843147 1405304198 /nfs/dbraw/zinc/30/41/98/1405304198.db2.gz PCAPXQXOARDQRK-MRXNPFEDSA-N 0 1 398.265 3.490 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c2cccnc12 ZINC000048843422 1405304379 /nfs/dbraw/zinc/30/43/79/1405304379.db2.gz JMZACWNVKUZDHH-IBGZPJMESA-N 0 1 394.450 3.040 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C)c1 ZINC000048844886 1405304427 /nfs/dbraw/zinc/30/44/27/1405304427.db2.gz XOFFNETUJSGWAA-FQEVSTJZSA-N 0 1 397.519 3.350 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000048843033 1405304484 /nfs/dbraw/zinc/30/44/84/1405304484.db2.gz UYEHDOZXOVHOED-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc3ccccc32)N(C)C)c1 ZINC000048844869 1405305164 /nfs/dbraw/zinc/30/51/64/1405305164.db2.gz JJOHTLFRBJLALC-OAQYLSRUSA-N 0 1 391.471 3.206 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(C(C)C)c2)N(C)C)c1 ZINC000048845908 1405305710 /nfs/dbraw/zinc/30/57/10/1405305710.db2.gz JNLLMTLJVAETOA-FQEVSTJZSA-N 0 1 383.492 3.176 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000048846706 1405306014 /nfs/dbraw/zinc/30/60/14/1405306014.db2.gz JYWBRTMPGAKQBL-NRFANRHFSA-N 0 1 397.519 3.395 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(SC)c2)N(C)C)cc1 ZINC000048846217 1405306130 /nfs/dbraw/zinc/30/61/30/1405306130.db2.gz RJNWUVSXCYJTRS-IBGZPJMESA-N 0 1 385.533 3.329 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000048851572 1405307497 /nfs/dbraw/zinc/30/74/97/1405307497.db2.gz IFBSDSVGTNOYSK-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN N#CC(C(=O)Cc1csc(N2CCCC2=O)n1)c1ccc2ccccc2n1 ZINC000048852056 1405307678 /nfs/dbraw/zinc/30/76/78/1405307678.db2.gz NSWBRQYCSIBSDZ-OAHLLOKOSA-N 0 1 376.441 3.237 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000048851580 1405308177 /nfs/dbraw/zinc/30/81/77/1405308177.db2.gz MRBLRLWXMUNJQR-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048852821 1405308588 /nfs/dbraw/zinc/30/85/88/1405308588.db2.gz NLUPUGYPOGWQAX-FQEVSTJZSA-N 0 1 395.503 3.367 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000048853795 1405308861 /nfs/dbraw/zinc/30/88/61/1405308861.db2.gz PHDCHUONMWIARG-HNNXBMFYSA-N 0 1 395.887 3.432 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000048853958 1405308914 /nfs/dbraw/zinc/30/89/14/1405308914.db2.gz FMPWYHFGTPUZGV-HNNXBMFYSA-N 0 1 395.887 3.432 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000048853627 1405308983 /nfs/dbraw/zinc/30/89/83/1405308983.db2.gz AAODWLVLDWGQKB-ZDUSSCGKSA-N 0 1 397.422 3.057 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000048853258 1405308999 /nfs/dbraw/zinc/30/89/99/1405308999.db2.gz FWIZPEPTWGOXSY-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000048853834 1405309133 /nfs/dbraw/zinc/30/91/33/1405309133.db2.gz BMBNOJMMDULUBU-OAHLLOKOSA-N 0 1 389.546 3.362 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000048853503 1405309503 /nfs/dbraw/zinc/30/95/03/1405309503.db2.gz KZVDMIKKJMGHNB-KRWDZBQOSA-N 0 1 387.505 3.039 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cc(Cl)ccc1F ZINC000048854260 1405309741 /nfs/dbraw/zinc/30/97/41/1405309741.db2.gz QEBCYPSTKIUXJT-HNNXBMFYSA-N 0 1 395.887 3.432 20 0 GGADMN N#C[C@H](C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccc2ccccc2n1 ZINC000048859454 1405311260 /nfs/dbraw/zinc/31/12/60/1405311260.db2.gz CLQRQDFPKMEEGO-SFHVURJKSA-N 0 1 380.407 3.335 20 0 GGADMN N#CC(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc2ccccc2n1 ZINC000048858852 1405311300 /nfs/dbraw/zinc/31/13/00/1405311300.db2.gz DKAJYPQBAZWUHO-ROUUACIJSA-N 0 1 376.460 3.339 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)ccn2)CC1 ZINC000048870612 1405312085 /nfs/dbraw/zinc/31/20/85/1405312085.db2.gz KFTNAVHECPYZOM-RBUKOAKNSA-N 0 1 387.572 3.238 20 0 GGADMN Cc1cc([C@H](C)NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c(C)s1 ZINC000048870881 1405312720 /nfs/dbraw/zinc/31/27/20/1405312720.db2.gz RTEOPKZBIKCSNN-HNNXBMFYSA-N 0 1 387.553 3.072 20 0 GGADMN O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048875900 1405313400 /nfs/dbraw/zinc/31/34/00/1405313400.db2.gz HQYAMRBAQJNUIE-CQSZACIVSA-N 0 1 392.286 3.323 20 0 GGADMN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048875675 1405313558 /nfs/dbraw/zinc/31/35/58/1405313558.db2.gz LQQFQNALMDVPPD-HNNXBMFYSA-N 0 1 392.286 3.323 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)ccc2F)N2CCCC2)c1 ZINC000048904966 1405319113 /nfs/dbraw/zinc/31/91/13/1405319113.db2.gz GSRGIAKDNVYNFM-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)o1 ZINC000048957932 1405328362 /nfs/dbraw/zinc/32/83/62/1405328362.db2.gz BQKZPTCOKOKGNZ-IBGZPJMESA-N 0 1 383.492 3.215 20 0 GGADMN CCOCc1ccccc1CNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000049045095 1405336105 /nfs/dbraw/zinc/33/61/05/1405336105.db2.gz SGHCULQYJFKKAC-GOSISDBHSA-N 0 1 381.520 3.469 20 0 GGADMN C[C@H](Cn1ccnc1)NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000049074861 1405338893 /nfs/dbraw/zinc/33/88/93/1405338893.db2.gz JHRGFECGWQJCOZ-CRAIPNDOSA-N 0 1 375.904 3.061 20 0 GGADMN O=C1[C@@H]([N@H+]2CCC[C@H]2c2ccsc2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476461 1426886709 /nfs/dbraw/zinc/88/67/09/1426886709.db2.gz IDGCUWDUBHEJQW-ROUUACIJSA-N 0 1 394.504 3.261 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000049165744 1405347850 /nfs/dbraw/zinc/34/78/50/1405347850.db2.gz SYOXYBJDDYDUQX-HNNXBMFYSA-N 0 1 386.883 3.109 20 0 GGADMN Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(C)s1 ZINC000049170061 1405348311 /nfs/dbraw/zinc/34/83/11/1405348311.db2.gz NIKBYRQDOYFXAF-DNVCBOLYSA-N 0 1 387.549 3.144 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000049195426 1405350634 /nfs/dbraw/zinc/35/06/34/1405350634.db2.gz PTLMRCRLLHBXEH-MRXNPFEDSA-N 0 1 376.482 3.029 20 0 GGADMN CC(=O)Nc1ccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824000071 1426922612 /nfs/dbraw/zinc/92/26/12/1426922612.db2.gz SQCNVXYKGLNXSM-FQEVSTJZSA-N 0 1 376.464 3.035 20 0 GGADMN CCc1cccc(OCC(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049392456 1405375551 /nfs/dbraw/zinc/37/55/51/1405375551.db2.gz CUCDYTPIBMVJAZ-QGZVFWFLSA-N 0 1 388.431 3.015 20 0 GGADMN Cc1cc([C@@H](C#N)C(=O)CSc2nncn2-c2ccc(C)c(C)c2)nc(C)n1 ZINC000049405575 1405377381 /nfs/dbraw/zinc/37/73/81/1405377381.db2.gz DAGXWZFVUAVRQK-QGZVFWFLSA-N 0 1 392.488 3.260 20 0 GGADMN N#CC(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccccn1 ZINC000049457469 1405379204 /nfs/dbraw/zinc/37/92/04/1405379204.db2.gz CENWZDIVCCZAKG-AWEZNQCLSA-N 0 1 380.404 3.348 20 0 GGADMN CC(=O)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1C ZINC000049619269 1405387383 /nfs/dbraw/zinc/38/73/83/1405387383.db2.gz PZKNSUUSYOUGFV-UHFFFAOYSA-N 0 1 380.492 3.266 20 0 GGADMN O=C(c1cccnc1N1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000049620618 1405387554 /nfs/dbraw/zinc/38/75/54/1405387554.db2.gz VAVGEWIOSXSTIS-UHFFFAOYSA-N 0 1 378.520 3.420 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)N1CCC(C)CC1 ZINC000049732635 1405400478 /nfs/dbraw/zinc/40/04/78/1405400478.db2.gz UORNRWLXKANPQO-HXUWFJFHSA-N 0 1 394.581 3.355 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2)CC1 ZINC000049733557 1405401184 /nfs/dbraw/zinc/40/11/84/1405401184.db2.gz UKKFVUHOQLQPSC-UHFFFAOYSA-N 0 1 388.515 3.406 20 0 GGADMN Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000049733498 1405401426 /nfs/dbraw/zinc/40/14/26/1405401426.db2.gz PEEFDCQJAIISRD-UHFFFAOYSA-N 0 1 376.504 3.405 20 0 GGADMN COCCCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000049733325 1405401881 /nfs/dbraw/zinc/40/18/81/1405401881.db2.gz IYGOPRFNLRJILD-UHFFFAOYSA-N 0 1 381.520 3.052 20 0 GGADMN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000049733487 1405402218 /nfs/dbraw/zinc/40/22/18/1405402218.db2.gz MCCNHJQUEZWZNO-UHFFFAOYSA-N 0 1 394.519 3.281 20 0 GGADMN CCN(Cc1ccncc1)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000049790129 1405417093 /nfs/dbraw/zinc/41/70/93/1405417093.db2.gz CEYIZFXMIBWZAG-HXUWFJFHSA-N 0 1 382.508 3.459 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCn2cccc2[C@H]1C)N1CCCC1 ZINC000049790286 1405417298 /nfs/dbraw/zinc/41/72/98/1405417298.db2.gz ASEAZWQDIBLPEU-YLJYHZDGSA-N 0 1 382.508 3.420 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NNC(=O)c1ccccc1)c1ccccc1Cl ZINC000049794674 1405417827 /nfs/dbraw/zinc/41/78/27/1405417827.db2.gz NXLBHEFWALPORL-SFHVURJKSA-N 0 1 388.899 3.367 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCc2nc3ccccc3s2)N(C)C)c1 ZINC000049798553 1405419386 /nfs/dbraw/zinc/41/93/86/1405419386.db2.gz RKKMHQWBHGEKME-GOSISDBHSA-N 0 1 398.532 3.450 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000049798444 1405419664 /nfs/dbraw/zinc/41/96/64/1405419664.db2.gz AZMRZIZKYUDGQJ-SFHVURJKSA-N 0 1 387.455 3.389 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000049798031 1405419777 /nfs/dbraw/zinc/41/97/77/1405419777.db2.gz BKCKVDBISAVVNU-PMACEKPBSA-N 0 1 389.446 3.351 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 ZINC000049797743 1405420101 /nfs/dbraw/zinc/42/01/01/1405420101.db2.gz WYNFCDNLCCBMFY-NRFANRHFSA-N 0 1 395.482 3.173 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2cc(-c3ccccc3)no2)N(C)C)c1 ZINC000049798770 1405420152 /nfs/dbraw/zinc/42/01/52/1405420152.db2.gz PCSZLJXFGLDLPJ-NRFANRHFSA-N 0 1 394.475 3.452 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000049798149 1405420524 /nfs/dbraw/zinc/42/05/24/1405420524.db2.gz XRLYGGSDLUIATR-JLTOFOAXSA-N 0 1 398.482 3.374 20 0 GGADMN COCCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000049798542 1405420872 /nfs/dbraw/zinc/42/08/72/1405420872.db2.gz XMSPQIFGNHKJTR-NRFANRHFSA-N 0 1 385.508 3.156 20 0 GGADMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000049908736 1405428036 /nfs/dbraw/zinc/42/80/36/1405428036.db2.gz WOGXPSYNYSNJJR-LBPRGKRZSA-N 0 1 394.456 3.475 20 0 GGADMN Cc1cccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000049943899 1405433327 /nfs/dbraw/zinc/43/33/27/1405433327.db2.gz HYPYBBHGIQAXGK-IEBWSBKVSA-N 0 1 383.492 3.050 20 0 GGADMN Cc1cccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000049943898 1405433888 /nfs/dbraw/zinc/43/38/88/1405433888.db2.gz HYPYBBHGIQAXGK-PKOBYXMFSA-N 0 1 383.492 3.050 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1cccs1 ZINC000049958640 1405436703 /nfs/dbraw/zinc/43/67/03/1405436703.db2.gz QZLYJSZLLRBCOE-HNNXBMFYSA-N 0 1 387.534 3.191 20 0 GGADMN C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577664 1427076933 /nfs/dbraw/zinc/07/69/33/1427076933.db2.gz MMNBBHIEJNAPKS-AEFFLSMTSA-N 0 1 394.498 3.221 20 0 GGADMN Cc1c(NC(=O)[C@H]2CCCN2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 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394.475 3.024 20 0 GGADMN CCC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)Cc1ccc(F)cc1 ZINC000736479362 1427092937 /nfs/dbraw/zinc/09/29/37/1427092937.db2.gz JKHUOVCQMVGYNO-UHFFFAOYSA-N 0 1 385.443 3.305 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)NCc3cccc4c3OCO4)CC2)cc1 ZINC000050124867 1405494045 /nfs/dbraw/zinc/49/40/45/1405494045.db2.gz QZNVEXUKRHWLTQ-UHFFFAOYSA-N 0 1 381.476 3.141 20 0 GGADMN Nc1cc(N)nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n1 ZINC000050246965 1405529746 /nfs/dbraw/zinc/52/97/46/1405529746.db2.gz CWZDSKKXSNPPMT-UHFFFAOYSA-N 0 1 398.517 3.059 20 0 GGADMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738049868 1428216776 /nfs/dbraw/zinc/21/67/76/1428216776.db2.gz LVPYTLSQLYYRBR-SFHVURJKSA-N 0 1 383.500 3.033 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738049868 1428216779 /nfs/dbraw/zinc/21/67/79/1428216779.db2.gz LVPYTLSQLYYRBR-SFHVURJKSA-N 0 1 383.500 3.033 20 0 GGADMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738049868 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COc1cccc(CN2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)c1 ZINC000052486542 1406063487 /nfs/dbraw/zinc/06/34/87/1406063487.db2.gz CDAZVAUEHZCJIE-UHFFFAOYSA-N 0 1 387.465 3.389 20 0 GGADMN COc1cc(OC)c(CNC(=O)CN2CCC[C@H]2Cc2ccccc2)c(OC)c1 ZINC000052489250 1406064502 /nfs/dbraw/zinc/06/45/02/1406064502.db2.gz SFOFNCRZSTTYLY-SFHVURJKSA-N 0 1 398.503 3.036 20 0 GGADMN CCCNC(=O)C1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000052492779 1406066538 /nfs/dbraw/zinc/06/65/38/1406066538.db2.gz OATHIWVEBQTCED-OAHLLOKOSA-N 0 1 379.932 3.098 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@H](C)COc2ccc(F)cc2)N(C)C)c1 ZINC000052499536 1406068533 /nfs/dbraw/zinc/06/85/33/1406068533.db2.gz OFCDLHHRYMIUFI-FOIQADDNSA-N 0 1 389.471 3.204 20 0 GGADMN C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)Cn1cccn1 ZINC000052500420 1406069578 /nfs/dbraw/zinc/06/95/78/1406069578.db2.gz VPZATAWRBVMVSI-QFBILLFUSA-N 0 1 389.931 3.309 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)Cn1cccn1)N1CCCCC1 ZINC000052554181 1406080736 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CN(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(F)cc1 ZINC000057231119 1407562870 /nfs/dbraw/zinc/56/28/70/1407562870.db2.gz WKSSZYYPWDXSMY-FQEVSTJZSA-N 0 1 388.458 3.432 20 0 GGADMN Cc1ccc(C)n1-c1c(C(=O)N2CCCN(Cc3ccccc3)CC2)cnn1C ZINC000057253922 1407569025 /nfs/dbraw/zinc/56/90/25/1407569025.db2.gz CLGGADRLDOVGGG-UHFFFAOYSA-N 0 1 391.519 3.176 20 0 GGADMN O=C(NCc1cccc(Cn2cccn2)c1)NC[C@H](c1ccco1)N1CCCC1 ZINC000057259350 1407570685 /nfs/dbraw/zinc/57/06/85/1407570685.db2.gz IVGYDRRJFUWMTA-HXUWFJFHSA-N 0 1 393.491 3.161 20 0 GGADMN Cc1cccc(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)n1 ZINC000057274362 1407576607 /nfs/dbraw/zinc/57/66/07/1407576607.db2.gz MSCIWJYCEYAMSG-UHFFFAOYSA-N 0 1 387.487 3.360 20 0 GGADMN O=C(CC[C@@H]1CCCO1)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057274391 1407576910 /nfs/dbraw/zinc/57/69/10/1407576910.db2.gz ZGIXQWLGKHHUNR-NRFANRHFSA-N 0 1 394.519 3.302 20 0 GGADMN CCO[C@H](CC)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057274515 1407577077 /nfs/dbraw/zinc/57/70/77/1407577077.db2.gz LEOIVOWNSMDQOP-HXUWFJFHSA-N 0 1 382.508 3.157 20 0 GGADMN CCC(=O)Nc1cccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000057274167 1407577120 /nfs/dbraw/zinc/57/71/20/1407577120.db2.gz SFKHAPNOPJQALU-UHFFFAOYSA-N 0 1 380.492 3.035 20 0 GGADMN CCCSCC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057274488 1407577239 /nfs/dbraw/zinc/57/72/39/1407577239.db2.gz IWWGQWFEQKQHBY-UHFFFAOYSA-N 0 1 384.549 3.486 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)CC1 ZINC000057274100 1407577298 /nfs/dbraw/zinc/57/72/98/1407577298.db2.gz MPYNGQCVCXOTOV-UHFFFAOYSA-N 0 1 393.531 3.121 20 0 GGADMN COc1ccc([C@H](CNC(=O)CCCCCNC(C)=O)N2CCCCC2)cc1 ZINC000057287784 1407580451 /nfs/dbraw/zinc/58/04/51/1407580451.db2.gz KQNBNZRLTIOEHZ-NRFANRHFSA-N 0 1 389.540 3.035 20 0 GGADMN CN(CCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000176331359 1428250308 /nfs/dbraw/zinc/25/03/08/1428250308.db2.gz YRRKXRTWERSWCR-UHFFFAOYSA-N 0 1 397.372 3.031 20 0 GGADMN C[C@H]1CN(c2ccc(CNC(=O)c3n[nH]c4ccccc43)cc2F)C[C@H](C)O1 ZINC000057373825 1407598940 /nfs/dbraw/zinc/59/89/40/1407598940.db2.gz FSVVEISFTRFWMP-KBPBESRZSA-N 0 1 382.439 3.246 20 0 GGADMN C[C@@H]1CN(c2ccc(CNC(=O)c3n[nH]c4ccccc43)cc2F)C[C@@H](C)O1 ZINC000057373828 1407599005 /nfs/dbraw/zinc/59/90/05/1407599005.db2.gz FSVVEISFTRFWMP-ZIAGYGMSSA-N 0 1 382.439 3.246 20 0 GGADMN O=C(NCCCCn1ccnc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000057375113 1407599715 /nfs/dbraw/zinc/59/97/15/1407599715.db2.gz WJROVYCJVLQIMC-UHFFFAOYSA-N 0 1 389.931 3.281 20 0 GGADMN CCOC(=O)C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(OC)c1 ZINC000057390121 1407605186 /nfs/dbraw/zinc/60/51/86/1407605186.db2.gz IGFVYDYRXZNUPA-MRXNPFEDSA-N 0 1 377.824 3.479 20 0 GGADMN CCOC[C@@H]1CCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000176334203 1428251368 /nfs/dbraw/zinc/25/13/68/1428251368.db2.gz RFMFBDSMOXWBKS-GFCCVEGCSA-N 0 1 383.395 3.205 20 0 GGADMN COCCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c2ccccc21 ZINC000057435715 1407617660 /nfs/dbraw/zinc/61/76/60/1407617660.db2.gz GSCWXFZTFPMPGX-OAQYLSRUSA-N 0 1 383.467 3.460 20 0 GGADMN COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000057457179 1407625975 /nfs/dbraw/zinc/62/59/75/1407625975.db2.gz OQQGGTJHMSFFBQ-IBGZPJMESA-N 0 1 384.476 3.166 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccccn3)cc2)C[C@@H](C)O1 ZINC000057482557 1407633472 /nfs/dbraw/zinc/63/34/72/1407633472.db2.gz QCLHUNAOZDYOJH-QZTJIDSGSA-N 0 1 382.508 3.032 20 0 GGADMN COc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000057519499 1407641515 /nfs/dbraw/zinc/64/15/15/1407641515.db2.gz GPVUPABVAUFJHN-UHFFFAOYSA-N 0 1 386.452 3.370 20 0 GGADMN COc1cccc(CN(C)C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000057519582 1407641771 /nfs/dbraw/zinc/64/17/71/1407641771.db2.gz RYVBVNBFHNJRSI-UHFFFAOYSA-N 0 1 386.452 3.370 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000057553781 1407648489 /nfs/dbraw/zinc/64/84/89/1407648489.db2.gz RILYZFGLELFHCN-AWEZNQCLSA-N 0 1 397.479 3.101 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C[C@H](C)C[C@H](C)C1 ZINC000057585165 1407659019 /nfs/dbraw/zinc/65/90/19/1407659019.db2.gz CNKBLOFPXKMJTN-IYBDPMFKSA-N 0 1 392.569 3.175 20 0 GGADMN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(-n2ccnc2)cc1 ZINC000057592949 1407660888 /nfs/dbraw/zinc/66/08/88/1407660888.db2.gz BXFMNNULSGPOSG-UHFFFAOYSA-N 0 1 392.459 3.104 20 0 GGADMN COc1c(C)cnc(CN(C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1C ZINC000057607058 1407664902 /nfs/dbraw/zinc/66/49/02/1407664902.db2.gz TZGOKCYAFAWORS-IBGZPJMESA-N 0 1 388.487 3.290 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ncccc2C)c1 ZINC000057625678 1407671435 /nfs/dbraw/zinc/67/14/35/1407671435.db2.gz TXMWYQGINQXFGD-UHFFFAOYSA-N 0 1 397.456 3.452 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1 ZINC000057625530 1407671621 /nfs/dbraw/zinc/67/16/21/1407671621.db2.gz WOKKZLOFQSNRTE-UHFFFAOYSA-N 0 1 397.456 3.452 20 0 GGADMN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000176341670 1428256227 /nfs/dbraw/zinc/25/62/27/1428256227.db2.gz VMEBNLHHLQKXFF-UHFFFAOYSA-N 0 1 399.335 3.333 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(Cl)cc1 ZINC000057704428 1407693039 /nfs/dbraw/zinc/69/30/39/1407693039.db2.gz AHQIOBOHOFWMRA-DLBZAZTESA-N 0 1 393.940 3.388 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)cn2)CC1 ZINC000057725701 1407699475 /nfs/dbraw/zinc/69/94/75/1407699475.db2.gz FNRJGKFHEGXONR-OALUTQOASA-N 0 1 387.572 3.238 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)cn2)CC1 ZINC000057725703 1407700327 /nfs/dbraw/zinc/70/03/27/1407700327.db2.gz FNRJGKFHEGXONR-RTBURBONSA-N 0 1 387.572 3.238 20 0 GGADMN COc1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1F ZINC000057753958 1407709943 /nfs/dbraw/zinc/70/99/43/1407709943.db2.gz SAUPLWOQKXBHDJ-UHFFFAOYSA-N 0 1 386.471 3.168 20 0 GGADMN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SC(=O)N(C)C)c1 ZINC000057784950 1407715429 /nfs/dbraw/zinc/71/54/29/1407715429.db2.gz CGENEUTXKGHTDE-UHFFFAOYSA-N 0 1 378.475 3.464 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SC(=O)N(C)C)c1 ZINC000057784975 1407715738 /nfs/dbraw/zinc/71/57/38/1407715738.db2.gz SYQVTWXRRZEIHU-UHFFFAOYSA-N 0 1 394.474 3.048 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c2c(Cl)ccc3C)o1 ZINC000057785471 1407716557 /nfs/dbraw/zinc/71/65/57/1407716557.db2.gz MPYKLWKKJYVCPR-UHFFFAOYSA-N 0 1 388.855 3.169 20 0 GGADMN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000057789708 1407717592 /nfs/dbraw/zinc/71/75/92/1407717592.db2.gz BIBMWDYDTMHJDO-VXKWHMMOSA-N 0 1 397.494 3.081 20 0 GGADMN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000057789933 1407718176 /nfs/dbraw/zinc/71/81/76/1407718176.db2.gz SCOBNBRBBULBAW-SIKLNZKXSA-N 0 1 395.547 3.270 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000057789914 1407718633 /nfs/dbraw/zinc/71/86/33/1407718633.db2.gz SCOBNBRBBULBAW-KNQAVFIVSA-N 0 1 395.547 3.270 20 0 GGADMN C[C@H](COc1cccc(F)c1)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000057793776 1407719355 /nfs/dbraw/zinc/71/93/55/1407719355.db2.gz BFGSHEADVJMOCW-KUHUBIRLSA-N 0 1 377.435 3.334 20 0 GGADMN CCOc1cccc(CNC(=O)NC[C@@H](C(CC)CC)N2CCOCC2)c1 ZINC000057807668 1407722740 /nfs/dbraw/zinc/72/27/40/1407722740.db2.gz FDZBZPQLXCEMQE-FQEVSTJZSA-N 0 1 377.529 3.022 20 0 GGADMN CCCN(CC1CCCCC1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000057817705 1407727717 /nfs/dbraw/zinc/72/77/17/1407727717.db2.gz XKDDQTRXWOJUNL-UHFFFAOYSA-N 0 1 387.572 3.335 20 0 GGADMN CC(C)COc1ccccc1CNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000057818011 1407727799 /nfs/dbraw/zinc/72/77/99/1407727799.db2.gz YXGSOZMTKAGHLA-HDICACEKSA-N 0 1 377.529 3.020 20 0 GGADMN CCN(C)[C@H](C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)c1ccccc1 ZINC000057837750 1407734264 /nfs/dbraw/zinc/73/42/64/1407734264.db2.gz ARWKULLVHMRAQV-AVRDEDQJSA-N 0 1 381.520 3.331 20 0 GGADMN C[C@H](COc1cccc(F)c1)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000057849449 1407737789 /nfs/dbraw/zinc/73/77/89/1407737789.db2.gz FFKXWAWPVWEMCT-KUHUBIRLSA-N 0 1 377.435 3.334 20 0 GGADMN C[C@@H](COc1ccc(F)cc1)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000057849439 1407737884 /nfs/dbraw/zinc/73/78/84/1407737884.db2.gz XUMMIIMHUKOYAL-LIRRHRJNSA-N 0 1 377.435 3.334 20 0 GGADMN C[C@@H](COc1cccc(F)c1)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000057849447 1407738051 /nfs/dbraw/zinc/73/80/51/1407738051.db2.gz FFKXWAWPVWEMCT-LIRRHRJNSA-N 0 1 377.435 3.334 20 0 GGADMN C[C@H](COc1ccc(F)cc1)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000057849441 1407738320 /nfs/dbraw/zinc/73/83/20/1407738320.db2.gz XUMMIIMHUKOYAL-KUHUBIRLSA-N 0 1 377.435 3.334 20 0 GGADMN C[C@@H](COc1cccc(F)c1)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000057849452 1407738377 /nfs/dbraw/zinc/73/83/77/1407738377.db2.gz FFKXWAWPVWEMCT-IFXJQAMLSA-N 0 1 377.435 3.334 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCN(CCc2cccs2)CC1 ZINC000057862507 1407741777 /nfs/dbraw/zinc/74/17/77/1407741777.db2.gz NYVQAJLYVJWDBD-QGZVFWFLSA-N 0 1 379.570 3.308 20 0 GGADMN C[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1nc2ccccc2[nH]1 ZINC000057895466 1407749495 /nfs/dbraw/zinc/74/94/95/1407749495.db2.gz ZCOGZLXYTUEPDP-GFCCVEGCSA-N 0 1 393.472 3.203 20 0 GGADMN C[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1nc2ccccc2[nH]1 ZINC000057895464 1407750074 /nfs/dbraw/zinc/75/00/74/1407750074.db2.gz ZCOGZLXYTUEPDP-LBPRGKRZSA-N 0 1 393.472 3.203 20 0 GGADMN Cc1ccc(OCCN(C)CCCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000057910190 1407753898 /nfs/dbraw/zinc/75/38/98/1407753898.db2.gz BNVAKVYGLBVYPG-UHFFFAOYSA-N 0 1 377.506 3.178 20 0 GGADMN CCN(C)[C@H](C(=O)Nc1ccc(NS(=O)(=O)CC)cc1)c1ccccc1 ZINC000057913638 1407754779 /nfs/dbraw/zinc/75/47/79/1407754779.db2.gz WBIIXAYZJRXWSP-SFHVURJKSA-N 0 1 375.494 3.080 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 ZINC000057913763 1407754891 /nfs/dbraw/zinc/75/48/91/1407754891.db2.gz TUBHNWBWYGTZFW-OAQYLSRUSA-N 0 1 385.552 3.177 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000057924757 1407756977 /nfs/dbraw/zinc/75/69/77/1407756977.db2.gz AKYJDJCEJQXOPJ-GOSISDBHSA-N 0 1 399.472 3.184 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCO4)[nH]c2c1 ZINC000057924843 1407757542 /nfs/dbraw/zinc/75/75/42/1407757542.db2.gz RPCCNDMKTGRIEV-GOSISDBHSA-N 0 1 383.473 3.332 20 0 GGADMN COC(=O)CCCN1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000057931567 1407758173 /nfs/dbraw/zinc/75/81/73/1407758173.db2.gz UKJKQEQSEIJQNN-UHFFFAOYSA-N 0 1 386.279 3.128 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCc1ccccc1)[C@H]1CCOC1)c1cccc(F)c1 ZINC000176350785 1428262624 /nfs/dbraw/zinc/26/26/24/1428262624.db2.gz IFZTZZNDPZGLCO-FCHUYYIVSA-N 0 1 399.510 3.472 20 0 GGADMN CC(C)(C)OC(=O)NCCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000057992229 1407767417 /nfs/dbraw/zinc/76/74/17/1407767417.db2.gz QJOUNMJVCUGZPZ-INIZCTEOSA-N 0 1 379.501 3.228 20 0 GGADMN Cc1[nH]c(SCC(=O)NC[C@H](c2ccco2)N(C)C)nc1Cc1ccccc1 ZINC000058055847 1407776707 /nfs/dbraw/zinc/77/67/07/1407776707.db2.gz LYHNOECCDRRJBS-GOSISDBHSA-N 0 1 398.532 3.413 20 0 GGADMN CCOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000058059486 1407777549 /nfs/dbraw/zinc/77/75/49/1407777549.db2.gz YCWLUUFNHUILRO-UHFFFAOYSA-N 0 1 398.868 3.124 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)CCc2nc(-c3ccsc3)no2)CC1 ZINC000058117752 1407786093 /nfs/dbraw/zinc/78/60/93/1407786093.db2.gz XVOAWIUFHURDIY-UHFFFAOYSA-N 0 1 397.504 3.121 20 0 GGADMN NC(=O)Nc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000058130215 1407787739 /nfs/dbraw/zinc/78/77/39/1407787739.db2.gz INHJGMPBJWIYDB-GOSISDBHSA-N 0 1 386.883 3.398 20 0 GGADMN COc1ccc2c(c1)[nH]cc(C(=O)N1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000058193429 1407796967 /nfs/dbraw/zinc/79/69/67/1407796967.db2.gz RPGCMECUSAPIKD-UHFFFAOYSA-N 0 1 397.862 3.153 20 0 GGADMN S=c1[n-]nc(Cc2cccs2)n1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000058205290 1407797718 /nfs/dbraw/zinc/79/77/18/1407797718.db2.gz OVGNTIHFGCCMGH-UHFFFAOYSA-N 0 1 399.589 3.411 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000058245752 1407801723 /nfs/dbraw/zinc/80/17/23/1407801723.db2.gz MIOUWSIQRCRWPD-UHFFFAOYSA-N 0 1 397.567 3.479 20 0 GGADMN O=C(NCc1cccc(OCC(F)(F)F)c1)c1c[nH]c2ccccc2c1=O ZINC000058290078 1407807880 /nfs/dbraw/zinc/80/78/80/1407807880.db2.gz WUARELABTNGRJD-UHFFFAOYSA-N 0 1 376.334 3.399 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)OCc1cn2cc(Br)ccc2n1 ZINC000058317926 1407811123 /nfs/dbraw/zinc/81/11/23/1407811123.db2.gz UHFUBULYUIVDOD-UHFFFAOYSA-N 0 1 385.221 3.259 20 0 GGADMN Nc1nc(COC(=O)Cc2[nH]nc3ccccc32)nc2sc3c(c21)CCCC3 ZINC000058319898 1407811134 /nfs/dbraw/zinc/81/11/34/1407811134.db2.gz XFWFEVFFOSTHQW-UHFFFAOYSA-N 0 1 393.472 3.315 20 0 GGADMN CNC(=O)[C@@H](C)CN(C)CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000176357109 1428266701 /nfs/dbraw/zinc/26/67/01/1428266701.db2.gz RWCKGCBNVVXYRC-AWEZNQCLSA-N 0 1 389.883 3.385 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCCc3nc4ccc(F)cc4n3C)[nH]c21 ZINC000176365407 1428273052 /nfs/dbraw/zinc/27/30/52/1428273052.db2.gz NAWHJDNJNYGDLI-UHFFFAOYSA-N 0 1 379.439 3.189 20 0 GGADMN CCOc1cc(CNC(=O)c2c[nH]c3ccccc3c2=O)ccc1OC(F)F ZINC000058461390 1407832702 /nfs/dbraw/zinc/83/27/02/1407832702.db2.gz DECDTSBAFJYUTJ-UHFFFAOYSA-N 0 1 388.370 3.458 20 0 GGADMN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000058474361 1407834191 /nfs/dbraw/zinc/83/41/91/1407834191.db2.gz HJRZZPLRQHPEGG-SFHVURJKSA-N 0 1 384.386 3.458 20 0 GGADMN Cc1n[nH]c(=O)c(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1C ZINC000058474403 1407834234 /nfs/dbraw/zinc/83/42/34/1407834234.db2.gz VVFMHCKADXBNNT-UHFFFAOYSA-N 0 1 395.369 3.461 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3ccncc3)CC2)cnn1-c1ccccc1C ZINC000058497312 1407837433 /nfs/dbraw/zinc/83/74/33/1407837433.db2.gz ZGWAHUGJVSDMMJ-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN O=C(CCOc1ccc(F)cc1Cl)NC1CCN(Cc2ccncc2)CC1 ZINC000058497482 1407837651 /nfs/dbraw/zinc/83/76/51/1407837651.db2.gz HBSKJIWXXOFJMA-UHFFFAOYSA-N 0 1 391.874 3.424 20 0 GGADMN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000058503462 1407838092 /nfs/dbraw/zinc/83/80/92/1407838092.db2.gz LDBWEKBKQHWANV-GOSISDBHSA-N 0 1 398.850 3.244 20 0 GGADMN 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CCS[C@H]1CCCC[C@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000176425093 1428316318 /nfs/dbraw/zinc/31/63/18/1428316318.db2.gz GJYHIASYCOQXNA-MOPGFXCFSA-N 0 1 376.570 3.410 20 0 GGADMN O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000063810998 1408418199 /nfs/dbraw/zinc/41/81/99/1408418199.db2.gz JSAJXNTYQFBXKT-UHFFFAOYSA-N 0 1 377.429 3.495 20 0 GGADMN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000063810011 1408418212 /nfs/dbraw/zinc/41/82/12/1408418212.db2.gz HZYTWRBWMDNAPY-UHFFFAOYSA-N 0 1 396.472 3.211 20 0 GGADMN COCCOc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000063823866 1408421472 /nfs/dbraw/zinc/42/14/72/1408421472.db2.gz UKNWTXBLSLLGBR-LGMDPLHJSA-N 0 1 392.546 3.007 20 0 GGADMN CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000063822366 1408421553 /nfs/dbraw/zinc/42/15/53/1408421553.db2.gz VNCBNGFEANOKJU-QGZVFWFLSA-N 0 1 395.569 3.080 20 0 GGADMN CN(C)CCN(C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000063853362 1408429147 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COc1ccc(N2CCN(CCCNc3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000064029298 1408470562 /nfs/dbraw/zinc/47/05/62/1408470562.db2.gz CGAAFAUNTHZYIP-UHFFFAOYSA-N 0 1 376.482 3.289 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCN(CC3CCCCC3)CC2)c1C ZINC000064129337 1408492015 /nfs/dbraw/zinc/49/20/15/1408492015.db2.gz PHCUVCQSXSYGDW-UHFFFAOYSA-N 0 1 389.540 3.189 20 0 GGADMN Cc1cc(NC(=O)CN2CCN([C@@H](C)c3cccc4ccccc43)CC2)no1 ZINC000064139872 1408493715 /nfs/dbraw/zinc/49/37/15/1408493715.db2.gz PYOSKRAMPLYFTE-KRWDZBQOSA-N 0 1 378.476 3.454 20 0 GGADMN Cc1ccc([C@@H](C)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000064141913 1408494686 /nfs/dbraw/zinc/49/46/86/1408494686.db2.gz KSEIOKJNIOOYLZ-QGZVFWFLSA-N 0 1 375.513 3.067 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H]3CCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000064252833 1408521429 /nfs/dbraw/zinc/52/14/29/1408521429.db2.gz MCXQNWQNTAWIAS-XJKSGUPXSA-N 0 1 395.429 3.354 20 0 GGADMN C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)c1ccccc1 ZINC000064268615 1408525685 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GGADMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000064272420 1408527004 /nfs/dbraw/zinc/52/70/04/1408527004.db2.gz TURDWENSIVFTEA-FQEVSTJZSA-N 0 1 395.503 3.204 20 0 GGADMN CCc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000064272394 1408527028 /nfs/dbraw/zinc/52/70/28/1408527028.db2.gz OJRPEMFYIQSPCO-NRFANRHFSA-N 0 1 379.504 3.449 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)N2CCCC2)cc1 ZINC000064272417 1408527064 /nfs/dbraw/zinc/52/70/64/1408527064.db2.gz NHFHRRVSTPFCTI-FQEVSTJZSA-N 0 1 383.467 3.334 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCCC2)cc1 ZINC000064272404 1408527094 /nfs/dbraw/zinc/52/70/94/1408527094.db2.gz OPSHMHXGDJYKFB-IBGZPJMESA-N 0 1 387.430 3.165 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000064272419 1408527340 /nfs/dbraw/zinc/52/73/40/1408527340.db2.gz LWIKNSWFGWMSJQ-NRFANRHFSA-N 0 1 379.504 3.449 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCCC2)cc1 ZINC000064272421 1408527363 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CCc1ccc(CN(C)C(=O)CN2CCN(CCc3cccs3)CC2)cc1 ZINC000064352167 1408539311 /nfs/dbraw/zinc/53/93/11/1408539311.db2.gz OCBVLFSSZUYMFP-UHFFFAOYSA-N 0 1 385.577 3.129 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(CCc2cccs2)CC1 ZINC000064352036 1408539342 /nfs/dbraw/zinc/53/93/42/1408539342.db2.gz SKLNMXLWZMULGP-KRWDZBQOSA-N 0 1 387.549 3.252 20 0 GGADMN Cc1ccc(CN(C(=O)CN2CCN(CCc3cccs3)CC2)C2CC2)cc1 ZINC000064352649 1408539505 /nfs/dbraw/zinc/53/95/05/1408539505.db2.gz KXVMEHRBHHFDTR-UHFFFAOYSA-N 0 1 397.588 3.408 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569297 1428327091 /nfs/dbraw/zinc/32/70/91/1428327091.db2.gz GQGGNNJLYRVZAD-HWPZZCPQSA-N 0 1 395.360 3.409 20 0 GGADMN CC(C)(C)c1ccc(OC[C@H](O)CN2CCCN(c3nccs3)CC2)cc1 ZINC000064401230 1408546030 /nfs/dbraw/zinc/54/60/30/1408546030.db2.gz APEKBDIDUIAUFW-GOSISDBHSA-N 0 1 389.565 3.393 20 0 GGADMN O[C@@H](COc1ccc2ccccc2c1)CN1CCCN(c2nccs2)CC1 ZINC000064401928 1408547022 /nfs/dbraw/zinc/54/70/22/1408547022.db2.gz IQTHNUAKCGOSLO-LJQANCHMSA-N 0 1 383.517 3.248 20 0 GGADMN COc1ccc(CNC(=O)CNCc2ccc(OCc3ccncc3)cc2)cc1 ZINC000064410883 1408548917 /nfs/dbraw/zinc/54/89/17/1408548917.db2.gz XBKTXSDESVIAEL-UHFFFAOYSA-N 0 1 391.471 3.075 20 0 GGADMN Cc1ccccc1CN1CCN(Cc2csc(CC(=O)OC(C)C)n2)CC1 ZINC000064431385 1408552900 /nfs/dbraw/zinc/55/29/00/1408552900.db2.gz GIIDCSMSUPRMCX-UHFFFAOYSA-N 0 1 387.549 3.263 20 0 GGADMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNC1(c2ccc(F)cc2)CCCC1 ZINC000064433262 1408554022 /nfs/dbraw/zinc/55/40/22/1408554022.db2.gz BWKSFGFUBPPSMT-UHFFFAOYSA-N 0 1 383.379 3.347 20 0 GGADMN O=C(c1cccc(Cl)c1)N1CCCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000064481814 1408565013 /nfs/dbraw/zinc/56/50/13/1408565013.db2.gz FRVIFSLKXKPBKF-IBGZPJMESA-N 0 1 376.859 3.361 20 0 GGADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000064489054 1408567240 /nfs/dbraw/zinc/56/72/40/1408567240.db2.gz OXOKYIUBHQQVRJ-UHFFFAOYSA-N 0 1 390.852 3.150 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc4c(c3)COC4)cc2)C[C@@H](C)O1 ZINC000064488261 1408567341 /nfs/dbraw/zinc/56/73/41/1408567341.db2.gz UROPUHOOKAVVIL-IAGOWNOFSA-N 0 1 380.488 3.256 20 0 GGADMN Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000064509936 1408571385 /nfs/dbraw/zinc/57/13/85/1408571385.db2.gz RJQUNPMWRJFFDF-UHFFFAOYSA-N 0 1 398.488 3.019 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc(F)cc2[nH]cnc21 ZINC000064522441 1408573278 /nfs/dbraw/zinc/57/32/78/1408573278.db2.gz MBXQPLZFXSKOQT-UHFFFAOYSA-N 0 1 384.436 3.143 20 0 GGADMN COC(=O)CCOc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000064536242 1408575941 /nfs/dbraw/zinc/57/59/41/1408575941.db2.gz OZRYAUUQPLCDSD-UHFFFAOYSA-N 0 1 383.379 3.410 20 0 GGADMN COc1ccccc1[C@@H](CNc1cnn(C(C)(C)C)c(=O)c1Cl)N(C)C ZINC000064537688 1408576044 /nfs/dbraw/zinc/57/60/44/1408576044.db2.gz VKXUSSDKYPCAFQ-OAHLLOKOSA-N 0 1 378.904 3.375 20 0 GGADMN CN1CCCc2cc(NC(=O)NC3CCN(Cc4ccncc4)CC3)ccc21 ZINC000064561529 1408578003 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CC[C@H](C)[N@@H+](C)CCNC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000066137002 1408783861 /nfs/dbraw/zinc/78/38/61/1408783861.db2.gz BTAWLOHBHFPEOM-HNNXBMFYSA-N 0 1 375.542 3.153 20 0 GGADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(-n2cccn2)cc1 ZINC000176519728 1428348018 /nfs/dbraw/zinc/34/80/18/1428348018.db2.gz SBRWAEWAMGZWMX-JTQLQIEISA-N 0 1 377.520 3.356 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@@](C)(O)CC)cc2Cl)CC1 ZINC000066160955 1408786078 /nfs/dbraw/zinc/78/60/78/1408786078.db2.gz JYWWTVQYYWZPRN-IBGZPJMESA-N 0 1 382.936 3.155 20 0 GGADMN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000066162364 1408786116 /nfs/dbraw/zinc/78/61/16/1408786116.db2.gz NDZOJAUGLKZCJJ-UHFFFAOYSA-N 0 1 379.888 3.465 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(SC)nc1)c1ccsc1 ZINC000066208636 1408791279 /nfs/dbraw/zinc/79/12/79/1408791279.db2.gz GJZACSDYDROORT-OAHLLOKOSA-N 0 1 392.550 3.003 20 0 GGADMN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c(C)c1 ZINC000066219345 1408791873 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Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1ccc(F)cc1 ZINC000066254813 1408797531 /nfs/dbraw/zinc/79/75/31/1408797531.db2.gz UQBLRAFJMSNQDZ-UHFFFAOYSA-N 0 1 381.379 3.458 20 0 GGADMN C[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCC1)NC(=O)C1CCCCC1 ZINC000066272474 1408801347 /nfs/dbraw/zinc/80/13/47/1408801347.db2.gz SLZYXIKFPUKZSW-AEFFLSMTSA-N 0 1 375.513 3.008 20 0 GGADMN C[C@H](CC(=O)NC[C@H](c1ccco1)N1CCCC1)NC(=O)C1CCCCC1 ZINC000066272476 1408801565 /nfs/dbraw/zinc/80/15/65/1408801565.db2.gz SLZYXIKFPUKZSW-SJLPKXTDSA-N 0 1 375.513 3.008 20 0 GGADMN C[C@H](CC(=O)NC[C@H](C)N1CCc2ccccc2C1)NC(=O)C1CCCCC1 ZINC000066291304 1408805801 /nfs/dbraw/zinc/80/58/01/1408805801.db2.gz DQHWMDFYXHBURU-MSOLQXFVSA-N 0 1 385.552 3.025 20 0 GGADMN C[C@@H](CC(=O)NC[C@H](C)N1CCc2ccccc2C1)NC(=O)C1CCCCC1 ZINC000066291301 1408805916 /nfs/dbraw/zinc/80/59/16/1408805916.db2.gz DQHWMDFYXHBURU-ROUUACIJSA-N 0 1 385.552 3.025 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176524554 1428350108 /nfs/dbraw/zinc/35/01/08/1428350108.db2.gz OCNTYFADMYPAQM-OLZOCXBDSA-N 0 1 376.432 3.012 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000176525397 1428350123 /nfs/dbraw/zinc/35/01/23/1428350123.db2.gz VCWZDGHKSHQRQR-UHFFFAOYSA-N 0 1 383.473 3.354 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176524500 1428350250 /nfs/dbraw/zinc/35/02/50/1428350250.db2.gz OCNTYFADMYPAQM-QWHCGFSZSA-N 0 1 376.432 3.012 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccccc1CSc1nc[nH]n1 ZINC000176525912 1428350787 /nfs/dbraw/zinc/35/07/87/1428350787.db2.gz YHTSMKCKIFCUNW-UHFFFAOYSA-N 0 1 382.424 3.042 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824547492 1428350826 /nfs/dbraw/zinc/35/08/26/1428350826.db2.gz PCYQMSGXEQGIDG-UKRRQHHQSA-N 0 1 384.434 3.465 20 0 GGADMN COCCOc1ccccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000066337505 1408816558 /nfs/dbraw/zinc/81/65/58/1408816558.db2.gz VHCLGAQNACITRO-SFHVURJKSA-N 0 1 375.444 3.275 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccccn1)N1CCCCC1 ZINC000066337645 1408816655 /nfs/dbraw/zinc/81/66/55/1408816655.db2.gz SZVIGJVGYWYYPY-FQEVSTJZSA-N 0 1 382.508 3.459 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000176527142 1428351101 /nfs/dbraw/zinc/35/11/01/1428351101.db2.gz ZVSIQCXIZWQWGF-CVDCTZTESA-N 0 1 377.532 3.452 20 0 GGADMN COCCOc1ccc(Cl)cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176527389 1428351118 /nfs/dbraw/zinc/35/11/18/1428351118.db2.gz OHWFNOQOVIDBOT-UHFFFAOYSA-N 0 1 377.803 3.311 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000066344105 1408818709 /nfs/dbraw/zinc/81/87/09/1408818709.db2.gz RIYGTNGLKJUTLO-UHFFFAOYSA-N 0 1 392.475 3.078 20 0 GGADMN Cc1cccc(OCCCCC(=O)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000066343196 1408818749 /nfs/dbraw/zinc/81/87/49/1408818749.db2.gz BOROSZQKEWMBMO-UHFFFAOYSA-N 0 1 396.535 3.007 20 0 GGADMN CC[C@H](C)c1ccccc1OCC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066344071 1408818809 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GGADMN C[C@H](CN(C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000066853994 1408933072 /nfs/dbraw/zinc/93/30/72/1408933072.db2.gz RGHORTMPGOIAOT-MRXNPFEDSA-N 0 1 387.911 3.472 20 0 GGADMN CN1CCN(c2ncccc2CNCc2ccc(Br)cc2F)CC1 ZINC000066876786 1408939490 /nfs/dbraw/zinc/93/94/90/1408939490.db2.gz JKAUPAVHFIIAMO-UHFFFAOYSA-N 0 1 393.304 3.025 20 0 GGADMN C[C@H](CNC(=O)NCc1ccc(-n2ccnc2)cc1)N1CCc2ccccc2C1 ZINC000066890193 1408942476 /nfs/dbraw/zinc/94/24/76/1408942476.db2.gz BBSMBTTUXODQCL-GOSISDBHSA-N 0 1 389.503 3.118 20 0 GGADMN CC(C)[C@@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccc(F)cc1 ZINC000066891370 1408943075 /nfs/dbraw/zinc/94/30/75/1408943075.db2.gz LGTOIRJSEJRTIX-HXUWFJFHSA-N 0 1 399.514 3.169 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000066891676 1408943342 /nfs/dbraw/zinc/94/33/42/1408943342.db2.gz IIQBMRLHXSXBBA-HXUWFJFHSA-N 0 1 397.498 3.019 20 0 GGADMN CC(C)c1ccc(CN(C)C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000066892020 1408943781 /nfs/dbraw/zinc/94/37/81/1408943781.db2.gz JUNASDYCURCAAV-UHFFFAOYSA-N 0 1 395.551 3.298 20 0 GGADMN NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000066898484 1408945044 /nfs/dbraw/zinc/94/50/44/1408945044.db2.gz IKGYXBJBQCHVPN-GOSISDBHSA-N 0 1 397.544 3.472 20 0 GGADMN Cc1cccc(CS(=O)(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000066917176 1408950438 /nfs/dbraw/zinc/95/04/38/1408950438.db2.gz YCBYHTBTZPGDRC-UHFFFAOYSA-N 0 1 396.516 3.490 20 0 GGADMN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000066921457 1408951931 /nfs/dbraw/zinc/95/19/31/1408951931.db2.gz IFVIGGOYUVUEHN-JOCHJYFZSA-N 0 1 391.515 3.090 20 0 GGADMN O=C(c1ccsc1)N1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000066921187 1408952105 /nfs/dbraw/zinc/95/21/05/1408952105.db2.gz KBFQPLOZHGQSOV-FQEVSTJZSA-N 0 1 397.544 3.087 20 0 GGADMN CN(C)CCN(CCCc1ccccc1)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000066946203 1408960030 /nfs/dbraw/zinc/96/00/30/1408960030.db2.gz AQFIZXWZINBOTL-HHHXNRCGSA-N 0 1 386.561 3.202 20 0 GGADMN CCCCOc1ccccc1NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066965414 1408967113 /nfs/dbraw/zinc/96/71/13/1408967113.db2.gz MQROLYFZHKJVLJ-UHFFFAOYSA-N 0 1 397.523 3.334 20 0 GGADMN CCCN1Cc2cccc(N[C@@H](C)C(=O)N3CCC(C(=O)OCC)CC3)c2C1 ZINC000066968144 1408968237 /nfs/dbraw/zinc/96/82/37/1408968237.db2.gz XGHUXPPLUAISOG-INIZCTEOSA-N 0 1 387.524 3.014 20 0 GGADMN Cn1c(CNC[C@H](c2ccccc2Cl)N2CCOCC2)nc2ccccc21 ZINC000066971007 1408968789 /nfs/dbraw/zinc/96/87/89/1408968789.db2.gz JWTZJYXEIVSONA-HXUWFJFHSA-N 0 1 384.911 3.390 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ncc(C)s2)N(C)C)cc1OC ZINC000176560786 1428364266 /nfs/dbraw/zinc/36/42/66/1428364266.db2.gz OLGPSJXTFTWRLH-UKRRQHHQSA-N 0 1 392.525 3.132 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)nc2ccccc21 ZINC000066989552 1408973344 /nfs/dbraw/zinc/97/33/44/1408973344.db2.gz XWIKBJIVNIVFRW-CQSZACIVSA-N 0 1 379.382 3.122 20 0 GGADMN CNS(=O)(=O)c1cccc(CNCc2ccc(SC(F)(F)F)cc2)c1 ZINC000066988854 1408973369 /nfs/dbraw/zinc/97/33/69/1408973369.db2.gz QRZZZYWIWUBPDV-UHFFFAOYSA-N 0 1 390.452 3.496 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2cnc(-c3ccccc3)s2)cc1 ZINC000066990448 1408974032 /nfs/dbraw/zinc/97/40/32/1408974032.db2.gz XMYZIQDNDOBIAK-UHFFFAOYSA-N 0 1 387.530 3.187 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCn1c(C)nc2ccccc21)c1ccco1 ZINC000067003718 1408977728 /nfs/dbraw/zinc/97/77/28/1408977728.db2.gz YOJVJTFGAGKOFY-IBGZPJMESA-N 0 1 383.496 3.320 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCn1c(C)nc2ccccc21)c1ccco1 ZINC000067003720 1408977739 /nfs/dbraw/zinc/97/77/39/1408977739.db2.gz YOJVJTFGAGKOFY-LJQANCHMSA-N 0 1 383.496 3.320 20 0 GGADMN CCCOc1cc(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)ccc1OC ZINC000067010536 1408979560 /nfs/dbraw/zinc/97/95/60/1408979560.db2.gz ZKMCBTNMPCKESV-OAHLLOKOSA-N 0 1 392.521 3.243 20 0 GGADMN CCOc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1OCC ZINC000067010349 1408979724 /nfs/dbraw/zinc/97/97/24/1408979724.db2.gz NMRNHOUZHCXMJQ-HNNXBMFYSA-N 0 1 392.521 3.243 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(OC(C)C)c(OC)c2)c1 ZINC000067010561 1408979773 /nfs/dbraw/zinc/97/97/73/1408979773.db2.gz MNVSNRPHEZCQGB-HNNXBMFYSA-N 0 1 392.521 3.241 20 0 GGADMN O=C(COc1ccccc1CNCc1ccc2c(c1)OCCCO2)N1CCCC1 ZINC000067011389 1408979810 /nfs/dbraw/zinc/97/98/10/1408979810.db2.gz YMHNUWJTUWBWHC-UHFFFAOYSA-N 0 1 396.487 3.139 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cnccc1Oc1ccccc1 ZINC000067020508 1408982808 /nfs/dbraw/zinc/98/28/08/1408982808.db2.gz NQKGNHAFAOJUAZ-UHFFFAOYSA-N 0 1 389.415 3.008 20 0 GGADMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1csc(-c2ccc(F)cc2)n1 ZINC000067029033 1408986214 /nfs/dbraw/zinc/98/62/14/1408986214.db2.gz GUVFVRPJEJMHIG-AWEZNQCLSA-N 0 1 377.466 3.305 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000067036679 1408988847 /nfs/dbraw/zinc/98/88/47/1408988847.db2.gz HMINBVYHHDSWPX-QUCCMNQESA-N 0 1 387.455 3.339 20 0 GGADMN CC(=O)NCc1ccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)s1 ZINC000067037790 1408989310 /nfs/dbraw/zinc/98/93/10/1408989310.db2.gz RXQMFPVKTDCWKA-HXUWFJFHSA-N 0 1 399.560 3.197 20 0 GGADMN CC(C)n1c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n[n-]c1=S ZINC000067072282 1409001484 /nfs/dbraw/zinc/00/14/84/1409001484.db2.gz XSIVBYJWCPLTCE-OAHLLOKOSA-N 0 1 391.516 3.189 20 0 GGADMN CC(C)n1c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n[n-]c1=S ZINC000067072282 1409001488 /nfs/dbraw/zinc/00/14/88/1409001488.db2.gz XSIVBYJWCPLTCE-OAHLLOKOSA-N 0 1 391.516 3.189 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCc2ccc3c(c2)OCCCO3)N2CCCC2)o1 ZINC000067081724 1409005022 /nfs/dbraw/zinc/00/50/22/1409005022.db2.gz IFBJVZJJGJBDTG-GOSISDBHSA-N 0 1 399.491 3.386 20 0 GGADMN CN(CC1CCN(Cn2nccc2-c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000067095071 1409008806 /nfs/dbraw/zinc/00/88/06/1409008806.db2.gz GUBRYOQBKSQRFL-UHFFFAOYSA-N 0 1 385.512 3.482 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C(/C)c2ccccc2OC)c1 ZINC000067105524 1409010713 /nfs/dbraw/zinc/01/07/13/1409010713.db2.gz CUXGKLWAAFDXAX-QBFSEMIESA-N 0 1 375.446 3.236 20 0 GGADMN COc1ccc(CNC(=O)CNCc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000067121713 1409013260 /nfs/dbraw/zinc/01/32/60/1409013260.db2.gz OVYRRWGCIZUBJK-UHFFFAOYSA-N 0 1 384.810 3.356 20 0 GGADMN FC(F)Oc1ccc(CNCc2ccc(N3CCOCC3)nc2)cc1Cl ZINC000067120144 1409013327 /nfs/dbraw/zinc/01/33/27/1409013327.db2.gz NEJYBKYMIKRHJC-UHFFFAOYSA-N 0 1 383.826 3.463 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000067124441 1409014516 /nfs/dbraw/zinc/01/45/16/1409014516.db2.gz HRVJMQGPEDNEHZ-UHFFFAOYSA-N 0 1 384.461 3.485 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000067132044 1409016453 /nfs/dbraw/zinc/01/64/53/1409016453.db2.gz VDTFBVUOZSISRM-QHCPKHFHSA-N 0 1 394.515 3.476 20 0 GGADMN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)C1 ZINC000067158464 1409026270 /nfs/dbraw/zinc/02/62/70/1409026270.db2.gz PSKZKZIOYQRPQS-SJORKVTESA-N 0 1 382.508 3.226 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc5[nH]c(=O)[nH]c5c4)C3)[nH]c2c1 ZINC000067158580 1409026332 /nfs/dbraw/zinc/02/63/32/1409026332.db2.gz RAMLXVOZEJJJKT-CQSZACIVSA-N 0 1 375.432 3.061 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CNC(=O)CCC(C)C ZINC000067158073 1409026482 /nfs/dbraw/zinc/02/64/82/1409026482.db2.gz FKGDIHZHCMGDKQ-UHFFFAOYSA-N 0 1 377.554 3.035 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C3)[nH]c2c1 ZINC000067158427 1409026491 /nfs/dbraw/zinc/02/64/91/1409026491.db2.gz NLFFXWVVMDUNHJ-CABCVRRESA-N 0 1 386.496 3.491 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4csc(-c5nc[nH]n5)n4)C3)[nH]c2c1 ZINC000067158332 1409026575 /nfs/dbraw/zinc/02/65/75/1409026575.db2.gz VUXHCMFCRIUEGV-GFCCVEGCSA-N 0 1 393.476 3.133 20 0 GGADMN COCCOc1ncccc1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000067158207 1409026622 /nfs/dbraw/zinc/02/66/22/1409026622.db2.gz XKOMDFUROWVIKX-INIZCTEOSA-N 0 1 394.475 3.311 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CCCN(C(=O)C5CC5)C4)C3)[nH]c2c1 ZINC000067158572 1409026707 /nfs/dbraw/zinc/02/67/07/1409026707.db2.gz WVWCLNQYMNGZOM-MSOLQXFVSA-N 0 1 394.519 3.226 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000067177386 1409033707 /nfs/dbraw/zinc/03/37/07/1409033707.db2.gz ODLAPYFIZZYDMI-MRXNPFEDSA-N 0 1 385.420 3.351 20 0 GGADMN Cc1nnc(NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)s1 ZINC000067178950 1409034067 /nfs/dbraw/zinc/03/40/67/1409034067.db2.gz IPHXDCFRKHXZPE-UHFFFAOYSA-N 0 1 389.506 3.418 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067180075 1409034229 /nfs/dbraw/zinc/03/42/29/1409034229.db2.gz FKRJHQUUSUGWSX-GOSISDBHSA-N 0 1 376.412 3.277 20 0 GGADMN Cc1ccccc1-c1nc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cs1 ZINC000067191771 1409037208 /nfs/dbraw/zinc/03/72/08/1409037208.db2.gz KBZKNTJURBATPN-IBGZPJMESA-N 0 1 386.565 3.120 20 0 GGADMN CC(C)[C@@H](CNC(=O)[C@@H](SCc1ccccc1)C(C)C)N1CCN(C)CC1 ZINC000067191255 1409037306 /nfs/dbraw/zinc/03/73/06/1409037306.db2.gz DXPRGPLQNJALJP-RTWAWAEBSA-N 0 1 391.625 3.333 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000067209428 1409043740 /nfs/dbraw/zinc/04/37/40/1409043740.db2.gz JYOCFWYYUZMZJE-KRWDZBQOSA-N 0 1 381.492 3.192 20 0 GGADMN CCOc1ccc(Oc2cc(CNCc3c(C)nn(CCO)c3C)ccn2)cc1 ZINC000067215188 1409045606 /nfs/dbraw/zinc/04/56/06/1409045606.db2.gz WPZZQLGGTHZKTB-UHFFFAOYSA-N 0 1 396.491 3.368 20 0 GGADMN O=C(CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 ZINC000067219057 1409046040 /nfs/dbraw/zinc/04/60/40/1409046040.db2.gz HNECQDQPNNKCQO-UHFFFAOYSA-N 0 1 398.850 3.230 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@H](C)CN1CCCC1=O ZINC000067220582 1409046288 /nfs/dbraw/zinc/04/62/88/1409046288.db2.gz SVTJKOFVVRESMW-CYBMUJFWSA-N 0 1 378.879 3.133 20 0 GGADMN CC(C)c1ccc(OCCC(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000067238305 1409050980 /nfs/dbraw/zinc/05/09/80/1409050980.db2.gz WFEGGFKWASDOHW-UHFFFAOYSA-N 0 1 396.535 3.042 20 0 GGADMN CCN(CC)[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC000067272460 1409060260 /nfs/dbraw/zinc/06/02/60/1409060260.db2.gz AJRIJDPLBZLUEC-FCHUYYIVSA-N 0 1 393.531 3.491 20 0 GGADMN CCN(CC)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC000067272457 1409060319 /nfs/dbraw/zinc/06/03/19/1409060319.db2.gz AJRIJDPLBZLUEC-FGZHOGPDSA-N 0 1 393.531 3.491 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccccc1 ZINC000067273503 1409060757 /nfs/dbraw/zinc/06/07/57/1409060757.db2.gz ZJGMBAFBMUTWJE-HXUWFJFHSA-N 0 1 394.479 3.001 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccco1 ZINC000067274290 1409060817 /nfs/dbraw/zinc/06/08/17/1409060817.db2.gz MABCMBQTGCTZCP-DLBZAZTESA-N 0 1 387.480 3.067 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccco1 ZINC000067274003 1409060996 /nfs/dbraw/zinc/06/09/96/1409060996.db2.gz IOVCJBLGGMEXCV-IRXDYDNUSA-N 0 1 377.529 3.063 20 0 GGADMN CCN(CC)[C@H](CNC(=O)CCCc1nc(C(C)(C)C)no1)c1ccco1 ZINC000067274836 1409061210 /nfs/dbraw/zinc/06/12/10/1409061210.db2.gz VWHWYXUHABPIMX-OAHLLOKOSA-N 0 1 376.501 3.482 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1nn(C(C)C)c(=O)c2ccccc21)c1ccco1 ZINC000067276457 1409061333 /nfs/dbraw/zinc/06/13/33/1409061333.db2.gz BCIXTJQRQBROAH-SFHVURJKSA-N 0 1 396.491 3.383 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)CCCc1nc(C(C)(C)C)no1)c1ccco1 ZINC000067274834 1409061647 /nfs/dbraw/zinc/06/16/47/1409061647.db2.gz VWHWYXUHABPIMX-HNNXBMFYSA-N 0 1 376.501 3.482 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C[C@H](C)O1 ZINC000067286923 1409064730 /nfs/dbraw/zinc/06/47/30/1409064730.db2.gz CIAJAUCRIGNUAM-GASCZTMLSA-N 0 1 391.903 3.147 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c(C(N)=O)c1)N1CCCC1 ZINC000067313745 1409070254 /nfs/dbraw/zinc/07/02/54/1409070254.db2.gz DRSACCMONLOJBX-LJQANCHMSA-N 0 1 396.491 3.061 20 0 GGADMN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000067324217 1409073883 /nfs/dbraw/zinc/07/38/83/1409073883.db2.gz XSKJMBJCWCQQTJ-XLIONFOSSA-N 0 1 395.503 3.193 20 0 GGADMN C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000176589839 1428372708 /nfs/dbraw/zinc/37/27/08/1428372708.db2.gz KWNPBMGFPDOLNS-JTQLQIEISA-N 0 1 393.415 3.127 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2ccccc2F)C1)c1cccs1 ZINC000067357552 1409083172 /nfs/dbraw/zinc/08/31/72/1409083172.db2.gz ZWGRBXNVRMSJLD-SJORKVTESA-N 0 1 377.485 3.273 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1cccs1 ZINC000067358003 1409083317 /nfs/dbraw/zinc/08/33/17/1409083317.db2.gz UEIHVNLRPCRSPH-SJORKVTESA-N 0 1 395.475 3.412 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1cccs1 ZINC000067357647 1409083585 /nfs/dbraw/zinc/08/35/85/1409083585.db2.gz BZJAHERBQWYHFT-IRXDYDNUSA-N 0 1 377.485 3.273 20 0 GGADMN COc1ccccc1NC(=O)C1CCN([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000067376936 1409091830 /nfs/dbraw/zinc/09/18/30/1409091830.db2.gz DRIRGBWYKOWSHF-KRWDZBQOSA-N 0 1 395.503 3.397 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000067378147 1409092661 /nfs/dbraw/zinc/09/26/61/1409092661.db2.gz RGRJSXGHDHXVBU-UHFFFAOYSA-N 0 1 389.443 3.490 20 0 GGADMN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCCN(C)Cc2ccccc2)c1 ZINC000067379620 1409092967 /nfs/dbraw/zinc/09/29/67/1409092967.db2.gz WUGLWERFMQLWKA-QGZVFWFLSA-N 0 1 383.492 3.051 20 0 GGADMN CN(CC(F)(F)F)C(=O)CN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000067380582 1409093629 /nfs/dbraw/zinc/09/36/29/1409093629.db2.gz PFXAWYBMDVTJPW-UHFFFAOYSA-N 0 1 394.437 3.481 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCCc1nc(C)no1)c1ccccc1Cl ZINC000067382466 1409094894 /nfs/dbraw/zinc/09/48/94/1409094894.db2.gz GPPFRVRQCPTLNS-KRWDZBQOSA-N 0 1 393.919 3.346 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccsc1 ZINC000067389591 1409097473 /nfs/dbraw/zinc/09/74/73/1409097473.db2.gz AVPOTGUGKNWFAT-MSOLQXFVSA-N 0 1 377.485 3.273 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccsc1 ZINC000067389590 1409097740 /nfs/dbraw/zinc/09/77/40/1409097740.db2.gz AVPOTGUGKNWFAT-ROUUACIJSA-N 0 1 377.485 3.273 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccsc1 ZINC000067389596 1409098248 /nfs/dbraw/zinc/09/82/48/1409098248.db2.gz AETJIIBXLPGQPX-ZWKOTPCHSA-N 0 1 377.485 3.273 20 0 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CCSc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)n[nH]2)cn1 ZINC000068767805 1409487952 /nfs/dbraw/zinc/48/79/52/1409487952.db2.gz ZOLZJEFFSMNWFO-UHFFFAOYSA-N 0 1 385.449 3.248 20 0 GGADMN Cc1cc(C)cc(Oc2ccc(CNCc3cn(C)c(=O)n(C)c3=O)cc2C)c1 ZINC000068840369 1409505562 /nfs/dbraw/zinc/50/55/62/1409505562.db2.gz RQPQSVMSLFBVMD-UHFFFAOYSA-N 0 1 393.487 3.091 20 0 GGADMN COc1cccc(N2CCN(C[C@@H](O)COc3c(C)ccc(C)c3C)CC2)c1 ZINC000068845791 1409507199 /nfs/dbraw/zinc/50/71/99/1409507199.db2.gz LAYDLPASVOWNJT-OAQYLSRUSA-N 0 1 384.520 3.182 20 0 GGADMN CCC[C@@H](Cc1ccccc1)N(CCC)CN1C(=O)NC2(CCOCC2)C1=O ZINC000068877412 1409513265 /nfs/dbraw/zinc/51/32/65/1409513265.db2.gz TUSDCVXHRFGBIB-IBGZPJMESA-N 0 1 387.524 3.168 20 0 GGADMN CC(C)Cn1c(CCC(N)=O)nn(CN(CC2CC2)C2CCCCC2)c1=S ZINC000068878789 1409513672 /nfs/dbraw/zinc/51/36/72/1409513672.db2.gz PKTDFBOBYAOEKM-UHFFFAOYSA-N 0 1 393.601 3.490 20 0 GGADMN Cc1ccc([C@H](CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N2CCCC2)o1 ZINC000068901305 1409520880 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GGADMN CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)C[C@@H](C)O1 ZINC000111799678 1412030904 /nfs/dbraw/zinc/03/09/04/1412030904.db2.gz QQDLTPNHMKRLQP-LMMKCTJWSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCc1ccc(C)nc1)N1CCCC1 ZINC000111799686 1412031009 /nfs/dbraw/zinc/03/10/09/1412031009.db2.gz VCSLYBQHOZQUAD-HXUWFJFHSA-N 0 1 382.508 3.077 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCSc3ccccc3)n2)cc1 ZINC000111805419 1412031319 /nfs/dbraw/zinc/03/13/19/1412031319.db2.gz NUJYKZBHBPKDHJ-UHFFFAOYSA-N 0 1 383.477 3.072 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCSc3ccccc3)n[nH]2)cc1 ZINC000111805419 1412031329 /nfs/dbraw/zinc/03/13/29/1412031329.db2.gz NUJYKZBHBPKDHJ-UHFFFAOYSA-N 0 1 383.477 3.072 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)c3cc(C)ccc3OC)n2)cc1 ZINC000111806395 1412031926 /nfs/dbraw/zinc/03/19/26/1412031926.db2.gz UCLIKYHVXOFABX-CQSZACIVSA-N 0 1 395.463 3.358 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C)c3cc(C)ccc3OC)n[nH]2)cc1 ZINC000111806395 1412031938 /nfs/dbraw/zinc/03/19/38/1412031938.db2.gz UCLIKYHVXOFABX-CQSZACIVSA-N 0 1 395.463 3.358 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCCOC3CCCCC3)n2)cc1 ZINC000111807193 1412032525 /nfs/dbraw/zinc/03/25/25/1412032525.db2.gz OPJKGQQJXVNCDI-UHFFFAOYSA-N 0 1 387.484 3.019 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCCOC3CCCCC3)n[nH]2)cc1 ZINC000111807193 1412032533 /nfs/dbraw/zinc/03/25/33/1412032533.db2.gz OPJKGQQJXVNCDI-UHFFFAOYSA-N 0 1 387.484 3.019 20 0 GGADMN CN(CCn1cccn1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000111816200 1412033446 /nfs/dbraw/zinc/03/34/46/1412033446.db2.gz KMQMYMOLZJIZSC-SFHVURJKSA-N 0 1 375.904 3.015 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCC(C)(C)c3ccccc3)n2)cc1 ZINC000111822477 1412034077 /nfs/dbraw/zinc/03/40/77/1412034077.db2.gz JARPPPYMESSABD-UHFFFAOYSA-N 0 1 379.464 3.257 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCC(C)(C)c3ccccc3)n[nH]2)cc1 ZINC000111822477 1412034087 /nfs/dbraw/zinc/03/40/87/1412034087.db2.gz JARPPPYMESSABD-UHFFFAOYSA-N 0 1 379.464 3.257 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)c3cc(F)ccc3OC)n2)cc1 ZINC000111826498 1412034517 /nfs/dbraw/zinc/03/45/17/1412034517.db2.gz WPTUJSTWACPQKO-GFCCVEGCSA-N 0 1 399.426 3.188 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C)c3cc(F)ccc3OC)n[nH]2)cc1 ZINC000111826498 1412034525 /nfs/dbraw/zinc/03/45/25/1412034525.db2.gz WPTUJSTWACPQKO-GFCCVEGCSA-N 0 1 399.426 3.188 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCc3cc4ccccc4o3)n2)cc1 ZINC000111829923 1412035103 /nfs/dbraw/zinc/03/51/03/1412035103.db2.gz PQCMUUOTONVMDT-UHFFFAOYSA-N 0 1 377.404 3.226 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCc3cc4ccccc4o3)n[nH]2)cc1 ZINC000111829923 1412035107 /nfs/dbraw/zinc/03/51/07/1412035107.db2.gz PQCMUUOTONVMDT-UHFFFAOYSA-N 0 1 377.404 3.226 20 0 GGADMN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)CCc2nc[nH]n2)cc1OC ZINC000177180732 1428617863 /nfs/dbraw/zinc/61/78/63/1428617863.db2.gz PJJRNBDJVSBADO-GOSISDBHSA-N 0 1 394.475 3.163 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)c1 ZINC000111844383 1412036841 /nfs/dbraw/zinc/03/68/41/1412036841.db2.gz JTSGJHOMNIOTMA-AWEZNQCLSA-N 0 1 395.463 3.439 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)c1 ZINC000111844383 1412036847 /nfs/dbraw/zinc/03/68/47/1412036847.db2.gz JTSGJHOMNIOTMA-AWEZNQCLSA-N 0 1 395.463 3.439 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCc3cccc4cccnc43)n2)cc1 ZINC000111844310 1412036863 /nfs/dbraw/zinc/03/68/63/1412036863.db2.gz ZFJYTTRCDWYDPI-UHFFFAOYSA-N 0 1 388.431 3.028 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCc3cccc4cccnc43)n[nH]2)cc1 ZINC000111844310 1412036870 /nfs/dbraw/zinc/03/68/70/1412036870.db2.gz ZFJYTTRCDWYDPI-UHFFFAOYSA-N 0 1 388.431 3.028 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CCCC3(CCCCC3)C2)CC1 ZINC000111843010 1412036886 /nfs/dbraw/zinc/03/68/86/1412036886.db2.gz RGZBBQKLRGGAJT-UHFFFAOYSA-N 0 1 385.556 3.089 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCCOc3ccc(C)cc3)n2)cc1 ZINC000111848836 1412037938 /nfs/dbraw/zinc/03/79/38/1412037938.db2.gz OEYAPUYPDCTTQW-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCCOc3ccc(C)cc3)n[nH]2)cc1 ZINC000111848836 1412037944 /nfs/dbraw/zinc/03/79/44/1412037944.db2.gz OEYAPUYPDCTTQW-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN CC[C@H](Cc1ccccc1)NC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000111854185 1412038896 /nfs/dbraw/zinc/03/88/96/1412038896.db2.gz YPONOVHAUJJJFR-QGZVFWFLSA-N 0 1 379.464 3.301 20 0 GGADMN CC[C@H](Cc1ccccc1)NC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000111854185 1412038904 /nfs/dbraw/zinc/03/89/04/1412038904.db2.gz YPONOVHAUJJJFR-QGZVFWFLSA-N 0 1 379.464 3.301 20 0 GGADMN CC[C@@H](Cc1ccccc1)NC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000111854182 1412039011 /nfs/dbraw/zinc/03/90/11/1412039011.db2.gz YPONOVHAUJJJFR-KRWDZBQOSA-N 0 1 379.464 3.301 20 0 GGADMN CC[C@@H](Cc1ccccc1)NC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000111854182 1412039019 /nfs/dbraw/zinc/03/90/19/1412039019.db2.gz YPONOVHAUJJJFR-KRWDZBQOSA-N 0 1 379.464 3.301 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCCOc3ccccc3C)n2)cc1 ZINC000111857536 1412039626 /nfs/dbraw/zinc/03/96/26/1412039626.db2.gz ZYSCLEHBFOYSPB-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCCOc3ccccc3C)n[nH]2)cc1 ZINC000111857536 1412039634 /nfs/dbraw/zinc/03/96/34/1412039634.db2.gz ZYSCLEHBFOYSPB-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCc4ccc(F)cc43)n2)cc1 ZINC000111860481 1412040433 /nfs/dbraw/zinc/04/04/33/1412040433.db2.gz BOINRHYMTSLKHB-KRWDZBQOSA-N 0 1 381.411 3.106 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3CCc4ccc(F)cc43)n[nH]2)cc1 ZINC000111860481 1412040441 /nfs/dbraw/zinc/04/04/41/1412040441.db2.gz BOINRHYMTSLKHB-KRWDZBQOSA-N 0 1 381.411 3.106 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)cs1 ZINC000111894937 1412044903 /nfs/dbraw/zinc/04/49/03/1412044903.db2.gz LYBJZFFGJIEENW-NSHDSACASA-N 0 1 386.481 3.060 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)cs1 ZINC000111894937 1412044910 /nfs/dbraw/zinc/04/49/10/1412044910.db2.gz LYBJZFFGJIEENW-NSHDSACASA-N 0 1 386.481 3.060 20 0 GGADMN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989259 1412062832 /nfs/dbraw/zinc/06/28/32/1412062832.db2.gz IKAUIBLASXJWJU-YPMHNXCESA-N 0 1 375.856 3.469 20 0 GGADMN Cc1oc2ncn(C)c(=O)c2c1C(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000111988929 1412062865 /nfs/dbraw/zinc/06/28/65/1412062865.db2.gz ZKCVEXPSQUNABV-SECBINFHSA-N 0 1 386.795 3.283 20 0 GGADMN C[C@H](OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990463 1412063349 /nfs/dbraw/zinc/06/33/49/1412063349.db2.gz CUXOCSWCQPKGEX-VIFPVBQESA-N 0 1 385.807 3.342 20 0 GGADMN CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000111990239 1412063391 /nfs/dbraw/zinc/06/33/91/1412063391.db2.gz GKPMJJYGFVAPNS-SNVBAGLBSA-N 0 1 393.852 3.042 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111989251 1412063434 /nfs/dbraw/zinc/06/34/34/1412063434.db2.gz IKAUIBLASXJWJU-WCQYABFASA-N 0 1 375.856 3.469 20 0 GGADMN C[C@H](c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1)[NH+]1CCOCC1 ZINC000111994808 1412063921 /nfs/dbraw/zinc/06/39/21/1412063921.db2.gz UVLUBEPNGRPVLV-CYBMUJFWSA-N 0 1 382.432 3.159 20 0 GGADMN C[C@@H](c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1)N1CCOCC1 ZINC000111994907 1412063936 /nfs/dbraw/zinc/06/39/36/1412063936.db2.gz AYDHYGKRNAAAEL-ZDUSSCGKSA-N 0 1 382.432 3.159 20 0 GGADMN C[C@@H](OC(=O)[C@@H](C)Sc1nnnn1C1CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990938 1412064100 /nfs/dbraw/zinc/06/41/00/1412064100.db2.gz XZKKCIYCPBOKHD-RKDXNWHRSA-N 0 1 392.872 3.323 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2cccc(OCCC[NH+](C)C)c2)cc1C ZINC000111995960 1412064854 /nfs/dbraw/zinc/06/48/54/1412064854.db2.gz UGOQEBBTXJDSSD-UHFFFAOYSA-N 0 1 378.494 3.135 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCCC[NH+](C)C)c3)ccc2O1 ZINC000111995917 1412064872 /nfs/dbraw/zinc/06/48/72/1412064872.db2.gz MPKOBNLQIVUXEF-HNNXBMFYSA-N 0 1 390.505 3.141 20 0 GGADMN CCS[C@H]1CCCCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000112070303 1412073568 /nfs/dbraw/zinc/07/35/68/1412073568.db2.gz RTCLTISPDFZELB-AWEZNQCLSA-N 0 1 391.562 3.210 20 0 GGADMN CCS[C@H]1CCCCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000112089429 1412074809 /nfs/dbraw/zinc/07/48/09/1412074809.db2.gz ZJVZRCLPEPTXAK-HNNXBMFYSA-N 0 1 397.972 3.311 20 0 GGADMN CCS[C@@H]1CCCCN(CC(=O)Nc2ccccc2C(=O)NC(C)C)C1 ZINC000112089300 1412074967 /nfs/dbraw/zinc/07/49/67/1412074967.db2.gz NNLZKLJHCCRKNY-MRXNPFEDSA-N 0 1 377.554 3.371 20 0 GGADMN CCCOc1c(Cl)cc(CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000112101844 1412075794 /nfs/dbraw/zinc/07/57/94/1412075794.db2.gz MARRAYXZJSSRKL-ZDUSSCGKSA-N 0 1 394.821 3.390 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OCCC(C)C ZINC000112101257 1412075832 /nfs/dbraw/zinc/07/58/32/1412075832.db2.gz NAFPBMRRWLLFOK-OAHLLOKOSA-N 0 1 388.430 3.373 20 0 GGADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)Nc1ccccc1 ZINC000112107592 1412076402 /nfs/dbraw/zinc/07/64/02/1412076402.db2.gz ZBVQBAHHAZBNPT-INIZCTEOSA-N 0 1 398.482 3.117 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000112110487 1412077524 /nfs/dbraw/zinc/07/75/24/1412077524.db2.gz IGHYASSDNLMRTL-FUHWJXTLSA-N 0 1 384.480 3.051 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000112110491 1412077819 /nfs/dbraw/zinc/07/78/19/1412077819.db2.gz IGHYASSDNLMRTL-SJLPKXTDSA-N 0 1 384.480 3.051 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccccc1 ZINC000112131139 1412080299 /nfs/dbraw/zinc/08/02/99/1412080299.db2.gz YUEGRJJHNGQDNY-FUHWJXTLSA-N 0 1 384.480 3.133 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000112163358 1412085254 /nfs/dbraw/zinc/08/52/54/1412085254.db2.gz FZRSYFKFBIABIH-VQTJNVASSA-N 0 1 397.519 3.060 20 0 GGADMN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000112163360 1412085280 /nfs/dbraw/zinc/08/52/80/1412085280.db2.gz FZRSYFKFBIABIH-WOJBJXKFSA-N 0 1 397.519 3.060 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1C ZINC000737547367 1428621827 /nfs/dbraw/zinc/62/18/27/1428621827.db2.gz 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CC[C@H]1COCCN1C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000115805441 1412794759 /nfs/dbraw/zinc/79/47/59/1412794759.db2.gz WLKGWRJUJZSDDT-PKOBYXMFSA-N 0 1 375.513 3.043 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000115820485 1412798685 /nfs/dbraw/zinc/79/86/85/1412798685.db2.gz CDCWRHGFRKDIJQ-CABCVRRESA-N 0 1 395.931 3.304 20 0 GGADMN CC[C@H]1COCCN1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000115824375 1412799902 /nfs/dbraw/zinc/79/99/02/1412799902.db2.gz DTHPDLVMAYVTGT-SFHVURJKSA-N 0 1 379.932 3.372 20 0 GGADMN Cc1ccc(C[C@H](NC(=O)N2CCN(CC3CC3)CC2)c2ccccn2)cc1 ZINC000115850566 1412802434 /nfs/dbraw/zinc/80/24/34/1412802434.db2.gz URGGILIDNDPLNW-QFIPXVFZSA-N 0 1 378.520 3.411 20 0 GGADMN CN(CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)C(=O)c1cccs1 ZINC000115855214 1412802792 /nfs/dbraw/zinc/80/27/92/1412802792.db2.gz WLCQFFVVPNZJTI-HNNXBMFYSA-N 0 1 384.461 3.187 20 0 GGADMN CN(C)Cc1cc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F ZINC000115880537 1412808397 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CCc1nn(C)c(Cl)c1CNC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000116336231 1412851069 /nfs/dbraw/zinc/85/10/69/1412851069.db2.gz WQNSQRKBXLNEFG-GFCCVEGCSA-N 0 1 391.821 3.184 20 0 GGADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000116357578 1412852140 /nfs/dbraw/zinc/85/21/40/1412852140.db2.gz OMBKUFQZLQBGHR-KURKYZTESA-N 0 1 379.570 3.024 20 0 GGADMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000116357758 1412852537 /nfs/dbraw/zinc/85/25/37/1412852537.db2.gz DBKILJXZRFXCOF-CQSZACIVSA-N 0 1 380.460 3.469 20 0 GGADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000116357756 1412852652 /nfs/dbraw/zinc/85/26/52/1412852652.db2.gz DBKILJXZRFXCOF-AWEZNQCLSA-N 0 1 380.460 3.469 20 0 GGADMN CCc1cc(N2CCC[C@@H](N[C@H](C(=O)N(CC)CC)c3ccccc3)C2)ncn1 ZINC000116392959 1412854775 /nfs/dbraw/zinc/85/47/75/1412854775.db2.gz YHMJIMXKJWAQBE-IRLDBZIGSA-N 0 1 395.551 3.207 20 0 GGADMN CCc1cc(N2CCC[C@H](N[C@H](C(=O)N(CC)CC)c3ccccc3)C2)ncn1 ZINC000116392953 1412854782 /nfs/dbraw/zinc/85/47/82/1412854782.db2.gz YHMJIMXKJWAQBE-UNMCSNQZSA-N 0 1 395.551 3.207 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C(=O)c1ccc(C)cc1 ZINC000116404943 1412855701 /nfs/dbraw/zinc/85/57/01/1412855701.db2.gz FRCPNOIIKCMSKI-FQEVSTJZSA-N 0 1 380.488 3.396 20 0 GGADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(N2CCOCC2)nc1 ZINC000116408707 1412855897 /nfs/dbraw/zinc/85/58/97/1412855897.db2.gz JGEYEDBHFJJOPY-UHFFFAOYSA-N 0 1 377.448 3.314 20 0 GGADMN CCc1ncc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)s1 ZINC000116436943 1412860052 /nfs/dbraw/zinc/86/00/52/1412860052.db2.gz YDFQANONOUWKSJ-AWEZNQCLSA-N 0 1 390.528 3.478 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)N(C)C)c1 ZINC000116522176 1412871391 /nfs/dbraw/zinc/87/13/91/1412871391.db2.gz VBJRRCJZMJNENA-IPELMVKDSA-N 0 1 389.446 3.431 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)N(C)C)c1 ZINC000116522179 1412871606 /nfs/dbraw/zinc/87/16/06/1412871606.db2.gz VBJRRCJZMJNENA-SNRMKQJTSA-N 0 1 389.446 3.431 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](C(C)(C)C)CC3)cn2)CC1 ZINC000116525977 1412872222 /nfs/dbraw/zinc/87/22/22/1412872222.db2.gz JDIXBVFOGKBTIH-IBGZPJMESA-N 0 1 387.572 3.191 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Cc2c(C)noc2Cl)N2CCCC2)cc1 ZINC000116535795 1412873971 /nfs/dbraw/zinc/87/39/71/1412873971.db2.gz BPUYMJNJLORFEZ-QGZVFWFLSA-N 0 1 377.872 3.141 20 0 GGADMN O=C(NC1CCN(c2ccccn2)CC1)c1ccc(CN2CCSCC2)cc1 ZINC000116544795 1412874896 /nfs/dbraw/zinc/87/48/96/1412874896.db2.gz SLLHLSXZQQVNQO-UHFFFAOYSA-N 0 1 396.560 3.029 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)n2)cc1 ZINC000116562898 1412878077 /nfs/dbraw/zinc/87/80/77/1412878077.db2.gz CFLRAHNXMLOMLW-CZUORRHYSA-N 0 1 399.401 3.114 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)n[nH]2)cc1 ZINC000116562898 1412878081 /nfs/dbraw/zinc/87/80/81/1412878081.db2.gz CFLRAHNXMLOMLW-CZUORRHYSA-N 0 1 399.401 3.114 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1 ZINC000116593474 1412884882 /nfs/dbraw/zinc/88/48/82/1412884882.db2.gz SJECDUALWWTCKA-RTWAWAEBSA-N 0 1 397.519 3.417 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCCC2)o1 ZINC000116593242 1412884982 /nfs/dbraw/zinc/88/49/82/1412884982.db2.gz LAWFJSRDRACDFX-HNNXBMFYSA-N 0 1 397.397 3.491 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000116632494 1412889253 /nfs/dbraw/zinc/88/92/53/1412889253.db2.gz HDEJNFLBSVVICI-AWEZNQCLSA-N 0 1 388.899 3.499 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000116661153 1412894048 /nfs/dbraw/zinc/89/40/48/1412894048.db2.gz BHJGJGRAIKVQII-HNNXBMFYSA-N 0 1 378.480 3.209 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc(C)cc4cn[nH]c43)CC2)cc1 ZINC000116661159 1412894062 /nfs/dbraw/zinc/89/40/62/1412894062.db2.gz PQKOIGIZSSBAOH-UHFFFAOYSA-N 0 1 378.476 3.228 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc(C)cc4c[nH]nc43)CC2)cc1 ZINC000116661159 1412894063 /nfs/dbraw/zinc/89/40/63/1412894063.db2.gz PQKOIGIZSSBAOH-UHFFFAOYSA-N 0 1 378.476 3.228 20 0 GGADMN Cc1ccc2nc(NC(=O)CCNC(=O)c3n[nH]c4ccccc43)sc2c1 ZINC000116709305 1412899804 /nfs/dbraw/zinc/89/98/04/1412899804.db2.gz MHWDFMKHBYPOTR-UHFFFAOYSA-N 0 1 379.445 3.240 20 0 GGADMN CC1CCN([C@@H](CNC(=O)c2ccc(N3CCCC3)nn2)c2cccs2)CC1 ZINC000116709018 1412899859 /nfs/dbraw/zinc/89/98/59/1412899859.db2.gz MNIBHLZLRNDLFN-SFHVURJKSA-N 0 1 399.564 3.341 20 0 GGADMN CC1CCN([C@H](CNC(=O)c2ccc(N3CCCC3)nn2)c2cccs2)CC1 ZINC000116709021 1412899922 /nfs/dbraw/zinc/89/99/22/1412899922.db2.gz MNIBHLZLRNDLFN-GOSISDBHSA-N 0 1 399.564 3.341 20 0 GGADMN CCc1nc2cc(NC(=O)CCNC(=O)c3n[nH]c4ccccc43)ccc2o1 ZINC000116709533 1412901667 /nfs/dbraw/zinc/90/16/67/1412901667.db2.gz DMCCXNYYBCKCCL-UHFFFAOYSA-N 0 1 377.404 3.025 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(-n3cccn3)c2)N2CCCC2)c1 ZINC000116716524 1412903180 /nfs/dbraw/zinc/90/31/80/1412903180.db2.gz VVBXQJATZKEBRU-QFIPXVFZSA-N 0 1 390.487 3.448 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc1 ZINC000116721776 1412904591 /nfs/dbraw/zinc/90/45/91/1412904591.db2.gz OOMITDGGGHLNAH-UHFFFAOYSA-N 0 1 390.487 3.229 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(N2CCCC2)nc1 ZINC000116724841 1412905868 /nfs/dbraw/zinc/90/58/68/1412905868.db2.gz PAVMLLQIEHZXHC-UHFFFAOYSA-N 0 1 382.483 3.215 20 0 GGADMN CC[C@H](C)[C@H](C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000116728721 1412907045 /nfs/dbraw/zinc/90/70/45/1412907045.db2.gz OQSPLBOFCXCKDJ-AVRDEDQJSA-N 0 1 380.536 3.280 20 0 GGADMN CC[C@@H](C)[C@H](C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000116728719 1412907091 /nfs/dbraw/zinc/90/70/91/1412907091.db2.gz OQSPLBOFCXCKDJ-GCJKJVERSA-N 0 1 380.536 3.280 20 0 GGADMN Cc1ccc(NC(=O)C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1 ZINC000116742036 1412913064 /nfs/dbraw/zinc/91/30/64/1412913064.db2.gz GMGCLNXTSYMEIH-UHFFFAOYSA-N 0 1 383.517 3.429 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(N2CCCC2)c(F)c1 ZINC000116774436 1412922357 /nfs/dbraw/zinc/92/23/57/1412922357.db2.gz FFXAEOZODWZMQA-UHFFFAOYSA-N 0 1 395.438 3.061 20 0 GGADMN COc1cc(C2(C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)CC2)ccc1C ZINC000116794080 1412924872 /nfs/dbraw/zinc/92/48/72/1412924872.db2.gz SUFVSUVERIUSMP-UHFFFAOYSA-N 0 1 378.432 3.468 20 0 GGADMN COCCOC1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000116884058 1412949850 /nfs/dbraw/zinc/94/98/50/1412949850.db2.gz LJWRTTOPPMREEZ-UHFFFAOYSA-N 0 1 380.504 3.080 20 0 GGADMN CCCn1cc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 ZINC000116917878 1412955414 /nfs/dbraw/zinc/95/54/14/1412955414.db2.gz FGLKZACZZNBJQV-INIZCTEOSA-N 0 1 382.386 3.087 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CNCC[S@](=O)C(C)(C)C)c1 ZINC000116921122 1412956079 /nfs/dbraw/zinc/95/60/79/1412956079.db2.gz ASNZEKGXRHFJGC-AREMUKBSSA-N 0 1 376.522 3.306 20 0 GGADMN Cc1ccc(OC2CCN(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000116938814 1412958939 /nfs/dbraw/zinc/95/89/39/1412958939.db2.gz YGLSCTWOJADHFG-OALUTQOASA-N 0 1 389.540 3.047 20 0 GGADMN O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000116965098 1412967956 /nfs/dbraw/zinc/96/79/56/1412967956.db2.gz XLAHABCVLXEMND-KMRXNPHXSA-N 0 1 399.560 3.072 20 0 GGADMN CC(C)c1ccc(CCCNC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000116969324 1412968715 /nfs/dbraw/zinc/96/87/15/1412968715.db2.gz GWJWHKHUBUMPQA-OAQYLSRUSA-N 0 1 387.568 3.496 20 0 GGADMN CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@H]2CCCN2Cc2ccccc2)c1 ZINC000116983891 1412971643 /nfs/dbraw/zinc/97/16/43/1412971643.db2.gz WHBAZIGXTMVFOQ-YADHBBJMSA-N 0 1 382.504 3.288 20 0 GGADMN CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000116983888 1412971685 /nfs/dbraw/zinc/97/16/85/1412971685.db2.gz WHBAZIGXTMVFOQ-VXKWHMMOSA-N 0 1 382.504 3.288 20 0 GGADMN Cc1ccc([C@H]2COCCN2C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)o1 ZINC000117025882 1412983462 /nfs/dbraw/zinc/98/34/62/1412983462.db2.gz YJJFREJXQSUHEL-ZWKOTPCHSA-N 0 1 375.444 3.113 20 0 GGADMN Cc1ccc([C@H]2COCCN2C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)o1 ZINC000117036442 1412985525 /nfs/dbraw/zinc/98/55/25/1412985525.db2.gz AGIPGDBZTYWXQS-ZWKOTPCHSA-N 0 1 375.444 3.113 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCOC[C@@H]1c1ccc(C)o1)c1ccco1 ZINC000117039989 1412985597 /nfs/dbraw/zinc/98/55/97/1412985597.db2.gz XDKDRHVZVOVNAJ-DLBZAZTESA-N 0 1 375.469 3.347 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000177327536 1428692468 /nfs/dbraw/zinc/69/24/68/1428692468.db2.gz HOWIYYBAMXAOCF-UULLZXFKSA-N 0 1 399.560 3.185 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(CN2CCCC2=O)c1 ZINC000117068226 1412992105 /nfs/dbraw/zinc/99/21/05/1412992105.db2.gz ROSMEHPWSDAZIW-LJQANCHMSA-N 0 1 396.491 3.361 20 0 GGADMN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CCN(C)C)c(Cl)c1 ZINC000117081955 1412996244 /nfs/dbraw/zinc/99/62/44/1412996244.db2.gz ZHIQXJPVLQDYTI-UHFFFAOYSA-N 0 1 380.941 3.443 20 0 GGADMN O=C(OCc1ccc2[nH]nnc2c1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000117087883 1412996951 /nfs/dbraw/zinc/99/69/51/1412996951.db2.gz PPFRZVOUUGJAKE-UHFFFAOYSA-N 0 1 384.399 3.108 20 0 GGADMN O=C(OCc1ccc2nn[nH]c2c1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000117087883 1412996958 /nfs/dbraw/zinc/99/69/58/1412996958.db2.gz PPFRZVOUUGJAKE-UHFFFAOYSA-N 0 1 384.399 3.108 20 0 GGADMN O=C(NCc1ccc(C(=O)OCc2ccc3[nH]nnc3c2)cc1)c1cccs1 ZINC000117089793 1412997024 /nfs/dbraw/zinc/99/70/24/1412997024.db2.gz LCMHHUJUFGHXHW-UHFFFAOYSA-N 0 1 392.440 3.306 20 0 GGADMN O=C(NCc1ccc(C(=O)OCc2ccc3nn[nH]c3c2)cc1)c1cccs1 ZINC000117089793 1412997026 /nfs/dbraw/zinc/99/70/26/1412997026.db2.gz LCMHHUJUFGHXHW-UHFFFAOYSA-N 0 1 392.440 3.306 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1nc(N2CCCC2)ncc1Cl ZINC000117093601 1412997934 /nfs/dbraw/zinc/99/79/34/1412997934.db2.gz GCEMYVKIQTUNQQ-MRXNPFEDSA-N 0 1 386.883 3.162 20 0 GGADMN O=S(=O)(c1ccc(CSc2nc(-c3ccccn3)n[nH]2)cc1)C(F)F ZINC000117112346 1413000306 /nfs/dbraw/zinc/00/03/06/1413000306.db2.gz BPTPJFDSRJBJRD-UHFFFAOYSA-N 0 1 382.417 3.155 20 0 GGADMN Cc1cc(C)c(CCNC(=O)CSc2nc(-c3ccccn3)n[nH]2)c(C)c1 ZINC000117114421 1413000927 /nfs/dbraw/zinc/00/09/27/1413000927.db2.gz CRJFOHYKXUFIHM-UHFFFAOYSA-N 0 1 381.505 3.243 20 0 GGADMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(OC(F)F)cc1 ZINC000117113068 1413001098 /nfs/dbraw/zinc/00/10/98/1413001098.db2.gz RVWKPNBDJPQZTH-UHFFFAOYSA-N 0 1 377.376 3.199 20 0 GGADMN COc1ccc([C@H](NC(=O)CSc2nc(-c3ccccn3)n[nH]2)C(C)C)cc1 ZINC000117113473 1413001128 /nfs/dbraw/zinc/00/11/28/1413001128.db2.gz HCOZFSNCWJLKKJ-GOSISDBHSA-N 0 1 397.504 3.481 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000117113798 1413001512 /nfs/dbraw/zinc/00/15/12/1413001512.db2.gz MJNDICVORSUCQY-JSFDKUKPSA-N 0 1 383.521 3.432 20 0 GGADMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000117115423 1413001616 /nfs/dbraw/zinc/00/16/16/1413001616.db2.gz SECFIVCGGVXQDV-UHFFFAOYSA-N 0 1 386.437 3.346 20 0 GGADMN Cn1ccnc1COc1ccc(CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000117115045 1413001708 /nfs/dbraw/zinc/00/17/08/1413001708.db2.gz PADXRZWEPSZJIY-UHFFFAOYSA-N 0 1 378.461 3.472 20 0 GGADMN Cc1ccc(CN(C(=O)CSc2nc(-c3ccccn3)n[nH]2)C2CC2)cc1 ZINC000117116183 1413002151 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CCOCCOc1c(Cl)cccc1NC(=O)c1nnc2ccccc2c1O ZINC000118322384 1413150527 /nfs/dbraw/zinc/15/05/27/1413150527.db2.gz UZJRFYBYZTXMAM-UHFFFAOYSA-N 0 1 387.823 3.244 20 0 GGADMN COCc1c(Br)cccc1NC(=O)c1nnc2ccccc2c1O ZINC000118325911 1413150632 /nfs/dbraw/zinc/15/06/32/1413150632.db2.gz XYHZVMVCHQPXIQ-UHFFFAOYSA-N 0 1 388.221 3.084 20 0 GGADMN CCCCN1CCC(NC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 ZINC000118337721 1413152091 /nfs/dbraw/zinc/15/20/91/1413152091.db2.gz CSIMSCIKPUIMFV-UHFFFAOYSA-N 0 1 386.945 3.128 20 0 GGADMN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1nnc2ccccc2c1O ZINC000118335582 1413152369 /nfs/dbraw/zinc/15/23/69/1413152369.db2.gz UODAPNAUDXBVCS-AWEZNQCLSA-N 0 1 388.427 3.470 20 0 GGADMN O=C(NCCc1nc(C2CCCCC2)cs1)c1nnc2ccccc2c1O ZINC000118339369 1413152964 /nfs/dbraw/zinc/15/29/64/1413152964.db2.gz VXAKGFLAUBLVPX-UHFFFAOYSA-N 0 1 382.489 3.400 20 0 GGADMN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000118468960 1413163340 /nfs/dbraw/zinc/16/33/40/1413163340.db2.gz OKWWAQZDNNHVTQ-FXAWDEMLSA-N 0 1 388.556 3.187 20 0 GGADMN C[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000177366478 1428706137 /nfs/dbraw/zinc/70/61/37/1428706137.db2.gz YOIGPZKUKLRGTM-SJLPKXTDSA-N 0 1 385.512 3.393 20 0 GGADMN CCc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000118489681 1413166912 /nfs/dbraw/zinc/16/69/12/1413166912.db2.gz MGVUQSCRANJFAU-UHFFFAOYSA-N 0 1 390.413 3.028 20 0 GGADMN Cc1cccc2c(NCc3cccc(OCC(F)F)c3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822336835 1428706239 /nfs/dbraw/zinc/70/62/39/1428706239.db2.gz SFDSDSFQUQEVNQ-UHFFFAOYSA-N 0 1 396.401 3.401 20 0 GGADMN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1c[nH]c2ccccc2c1=O ZINC000118520499 1413170533 /nfs/dbraw/zinc/17/05/33/1413170533.db2.gz XEYPJJWWDAQCDS-INIZCTEOSA-N 0 1 377.227 3.298 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCS[C@H](C)[C@@H]1C)N1CCCC1 ZINC000118564828 1413180873 /nfs/dbraw/zinc/18/08/73/1413180873.db2.gz DCTIWRVMBGMKBM-JZXOWHBKSA-N 0 1 377.554 3.368 20 0 GGADMN COc1cc(NC2CCN([C@H](C)C(=O)N3CCCCCC3)CC2)cc(OC)c1 ZINC000177370153 1428707312 /nfs/dbraw/zinc/70/73/12/1428707312.db2.gz VPTRLOCBWJKMCV-QGZVFWFLSA-N 0 1 389.540 3.371 20 0 GGADMN COC[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000118582945 1413184878 /nfs/dbraw/zinc/18/48/78/1413184878.db2.gz QBVTYUCXXJCELG-QGZVFWFLSA-N 0 1 385.430 3.130 20 0 GGADMN COC[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000118582943 1413185195 /nfs/dbraw/zinc/18/51/95/1413185195.db2.gz QBVTYUCXXJCELG-KRWDZBQOSA-N 0 1 385.430 3.130 20 0 GGADMN COc1cc(OC)c(NC(=O)CC2(N3CCOCC3)CCCC2)cc1Cl ZINC000118639937 1413199926 /nfs/dbraw/zinc/19/99/26/1413199926.db2.gz FRVNNPQANVBKRO-UHFFFAOYSA-N 0 1 382.888 3.331 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CNc3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000118770211 1413217090 /nfs/dbraw/zinc/21/70/90/1413217090.db2.gz BGFCUVYZTVKCBL-IAGOWNOFSA-N 0 1 385.483 3.163 20 0 GGADMN CC(C)c1nccn1CCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000118770215 1413217121 /nfs/dbraw/zinc/21/71/21/1413217121.db2.gz JUPBWWKDLJQKAG-KDURUIRLSA-N 0 1 398.551 3.322 20 0 GGADMN O=C(CC1(N2CCOCC2)CCCC1)Nc1ccnn1CCc1ccccc1 ZINC000118783233 1413219641 /nfs/dbraw/zinc/21/96/41/1413219641.db2.gz RLCSADWMRQKWLP-UHFFFAOYSA-N 0 1 382.508 3.099 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc4[n-]c(=S)oc4c3)c2)CCO1 ZINC000118779993 1413219701 /nfs/dbraw/zinc/21/97/01/1413219701.db2.gz USVCISVZIFHIQZ-CQSZACIVSA-N 0 1 397.500 3.267 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc4[n-]c(=S)oc4c3)c2)CCO1 ZINC000118779993 1413219712 /nfs/dbraw/zinc/21/97/12/1413219712.db2.gz USVCISVZIFHIQZ-CQSZACIVSA-N 0 1 397.500 3.267 20 0 GGADMN O=C(Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118789524 1413220709 /nfs/dbraw/zinc/22/07/09/1413220709.db2.gz RIWIOKJKAZNVGK-IBGZPJMESA-N 0 1 386.540 3.253 20 0 GGADMN C[C@@](NC[C@H](O)c1ccc(Cl)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177378660 1428710878 /nfs/dbraw/zinc/71/08/78/1428710878.db2.gz ZNCBUFWCHYKIJM-RDJZCZTQSA-N 0 1 386.801 3.383 20 0 GGADMN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118801247 1413223588 /nfs/dbraw/zinc/22/35/88/1413223588.db2.gz DLAPWBYIRKOZRZ-HNNXBMFYSA-N 0 1 384.480 3.281 20 0 GGADMN C[C@](NC[C@H](O)c1ccc(Cl)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177378649 1428711124 /nfs/dbraw/zinc/71/11/24/1428711124.db2.gz ZNCBUFWCHYKIJM-DOTOQJQBSA-N 0 1 386.801 3.383 20 0 GGADMN Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118818417 1413231724 /nfs/dbraw/zinc/23/17/24/1413231724.db2.gz BHKIABPMAQNGIU-HNNXBMFYSA-N 0 1 383.439 3.173 20 0 GGADMN CCN1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000118835010 1413237598 /nfs/dbraw/zinc/23/75/98/1413237598.db2.gz YKZAMGDYIGQNDX-LSDHHAIUSA-N 0 1 399.366 3.032 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(CCC(=O)NCc2ccccc2Cl)CC1 ZINC000118836181 1413238678 /nfs/dbraw/zinc/23/86/78/1413238678.db2.gz UOWHGUNJIXZJOT-QGZVFWFLSA-N 0 1 386.927 3.120 20 0 GGADMN COc1ccc(OCCN[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000177381406 1428711964 /nfs/dbraw/zinc/71/19/64/1428711964.db2.gz ZPWWTAFVBPFXSD-SFHVURJKSA-N 0 1 382.382 3.083 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000118838901 1413242453 /nfs/dbraw/zinc/24/24/53/1413242453.db2.gz DHUKISQOKCJDBM-FPOVZHCZSA-N 0 1 385.483 3.416 20 0 GGADMN O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)NCCc1ccc(F)cc1 ZINC000118838088 1413242471 /nfs/dbraw/zinc/24/24/71/1413242471.db2.gz LCPPAGPZKPIDKS-UHFFFAOYSA-N 0 1 380.467 3.240 20 0 GGADMN Cc1cccc(OCCNC(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000118838234 1413242511 /nfs/dbraw/zinc/24/25/11/1413242511.db2.gz XLNAKRMALAMXQM-UHFFFAOYSA-N 0 1 392.503 3.246 20 0 GGADMN CC(C)[C@H](CO)N(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000118846572 1413243276 /nfs/dbraw/zinc/24/32/76/1413243276.db2.gz OQDKROOZTRQKOL-RTWAWAEBSA-N 0 1 382.504 3.146 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)[C@H](CO)C(C)C)c1 ZINC000118846798 1413243315 /nfs/dbraw/zinc/24/33/15/1413243315.db2.gz QQHGLVVEHVUSLB-HXUWFJFHSA-N 0 1 386.492 3.161 20 0 GGADMN COc1cc(NC(=O)CN(Cc2ccccc2)[C@@H](CO)C(C)C)cc(OC)c1 ZINC000118846685 1413243677 /nfs/dbraw/zinc/24/36/77/1413243677.db2.gz PLTNCEKKAYHGKK-NRFANRHFSA-N 0 1 386.492 3.161 20 0 GGADMN CC[C@H](O)CN1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000118858101 1413248078 /nfs/dbraw/zinc/24/80/78/1413248078.db2.gz JJMODKXOMTXBMH-CJNGLKHVSA-N 0 1 398.429 3.205 20 0 GGADMN COc1ccc(CNC(=O)CN(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000118855159 1413248272 /nfs/dbraw/zinc/24/82/72/1413248272.db2.gz QVAHEPVMEPQBQP-OAQYLSRUSA-N 0 1 388.483 3.142 20 0 GGADMN COc1ccc(CNC(=O)CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000118855157 1413248606 /nfs/dbraw/zinc/24/86/06/1413248606.db2.gz QVAHEPVMEPQBQP-NRFANRHFSA-N 0 1 388.483 3.142 20 0 GGADMN O=C(CSc1c[nH]nn1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000177382198 1428712389 /nfs/dbraw/zinc/71/23/89/1428712389.db2.gz JZUHLXCTVYRXSJ-UHFFFAOYSA-N 0 1 376.445 3.388 20 0 GGADMN CC(=O)c1ccc(NC(=O)CCN2CCC[C@H](c3nncn3C(C)C)C2)cc1 ZINC000118860093 1413249986 /nfs/dbraw/zinc/24/99/86/1413249986.db2.gz NUZSEIFKKGCGFN-SFHVURJKSA-N 0 1 383.496 3.270 20 0 GGADMN O=C(CCN1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)N1CCOCC1 ZINC000118861813 1413251143 /nfs/dbraw/zinc/25/11/43/1413251143.db2.gz XGRKHOOOSFRXOC-SFHVURJKSA-N 0 1 388.899 3.116 20 0 GGADMN COc1c(C(=O)OC[C@H]2CCCN(Cc3cc(F)ccc3F)C2)c(C)nn1C ZINC000118899560 1413264127 /nfs/dbraw/zinc/26/41/27/1413264127.db2.gz SFBCGPVRYXIAKR-AWEZNQCLSA-N 0 1 393.434 3.084 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000177388074 1428714206 /nfs/dbraw/zinc/71/42/06/1428714206.db2.gz VZIKEVICSHVAAQ-CQSZACIVSA-N 0 1 385.430 3.273 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000118964668 1413277982 /nfs/dbraw/zinc/27/79/82/1413277982.db2.gz QUCQOCZVXJCGQA-UNMCSNQZSA-N 0 1 394.519 3.266 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(OC)cc2OC)cc1 ZINC000118964237 1413278520 /nfs/dbraw/zinc/27/85/20/1413278520.db2.gz ZDSJGJQAPGAZNE-AWEZNQCLSA-N 0 1 378.494 3.316 20 0 GGADMN C[C@H](CC(=O)c1ccccc1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000118970344 1413281640 /nfs/dbraw/zinc/28/16/40/1413281640.db2.gz DMWUJEIGICPXAG-HXUWFJFHSA-N 0 1 393.531 3.367 20 0 GGADMN C[C@@H](CC(=O)c1ccccc1)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000118970235 1413281932 /nfs/dbraw/zinc/28/19/32/1413281932.db2.gz DMWUJEIGICPXAG-FQEVSTJZSA-N 0 1 393.531 3.367 20 0 GGADMN CCCOc1cccc(CC(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000118971171 1413283112 /nfs/dbraw/zinc/28/31/12/1413283112.db2.gz VBFNKIJOBFYYPP-UHFFFAOYSA-N 0 1 381.520 3.404 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Cc3ccccc3F)n2)c(OC)c1 ZINC000118973842 1413284428 /nfs/dbraw/zinc/28/44/28/1413284428.db2.gz SJECSTYZFZZPAB-LBPRGKRZSA-N 0 1 384.411 3.445 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ncccc1OCC(F)(F)F)c1cccc(F)c1 ZINC000177397034 1428718104 /nfs/dbraw/zinc/71/81/04/1428718104.db2.gz JRPZKQYPTYVGPE-CQSZACIVSA-N 0 1 385.361 3.195 20 0 GGADMN C[C@H](CNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Sc1ccccc1 ZINC000118987714 1413292599 /nfs/dbraw/zinc/29/25/99/1413292599.db2.gz XIMWQGCARDGWSZ-RLLQIKCJSA-N 0 1 399.560 3.102 20 0 GGADMN O=C(CN1CCC[C@H](Cn2ccnn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000118989966 1413293044 /nfs/dbraw/zinc/29/30/44/1413293044.db2.gz YMTNDYCBTUMHLO-AVRDEDQJSA-N 0 1 381.524 3.038 20 0 GGADMN Cc1cnn(-c2ccc(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)cc2F)c1 ZINC000119000991 1413299148 /nfs/dbraw/zinc/29/91/48/1413299148.db2.gz XQKIOMZBIOYWKM-UHFFFAOYSA-N 0 1 393.426 3.313 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000119006123 1413301599 /nfs/dbraw/zinc/30/15/99/1413301599.db2.gz RQGAXHKAVKZKFV-VQTJNVASSA-N 0 1 375.488 3.047 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000119006033 1413301933 /nfs/dbraw/zinc/30/19/33/1413301933.db2.gz RQGAXHKAVKZKFV-WOJBJXKFSA-N 0 1 375.488 3.047 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000119005759 1413302060 /nfs/dbraw/zinc/30/20/60/1413302060.db2.gz RQGAXHKAVKZKFV-UXHICEINSA-N 0 1 375.488 3.047 20 0 GGADMN Cc1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1-n1cnnn1 ZINC000119041963 1413314442 /nfs/dbraw/zinc/31/44/42/1413314442.db2.gz ROGLMNWEQILMBF-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN CCc1noc(C)c1CN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000119042421 1413314584 /nfs/dbraw/zinc/31/45/84/1413314584.db2.gz JDKORRAWKUGDRD-GOSISDBHSA-N 0 1 389.496 3.154 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000119064669 1413323014 /nfs/dbraw/zinc/32/30/14/1413323014.db2.gz SIRLUTIWWZWAAJ-AWEZNQCLSA-N 0 1 395.484 3.070 20 0 GGADMN CC1CCN(CC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000119068575 1413324158 /nfs/dbraw/zinc/32/41/58/1413324158.db2.gz NFEAREUJQKSWJF-UHFFFAOYSA-N 0 1 382.426 3.257 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)CN3CCC[C@@H](Cn4ccnn4)C3)c2)cs1 ZINC000119076272 1413327072 /nfs/dbraw/zinc/32/70/72/1413327072.db2.gz HBYDWCIZSBXKRA-MRXNPFEDSA-N 0 1 396.520 3.061 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119096420 1413335497 /nfs/dbraw/zinc/33/54/97/1413335497.db2.gz ZYLDCVRSWGXRLR-QGZVFWFLSA-N 0 1 396.535 3.421 20 0 GGADMN C[C@@](NCCCc1nc(-c2ccccc2)no1)(C(N)=O)c1cccc(Cl)c1 ZINC000177401305 1428719169 /nfs/dbraw/zinc/71/91/69/1428719169.db2.gz LZAHMUSYGPPKKK-FQEVSTJZSA-N 0 1 384.867 3.313 20 0 GGADMN CC[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1OC ZINC000119109729 1413340030 /nfs/dbraw/zinc/34/00/30/1413340030.db2.gz GLVDFSQIGMAIJN-LJQANCHMSA-N 0 1 382.508 3.033 20 0 GGADMN CCCn1c(CNC[C@@H](O)COc2ccc(F)c(F)c2)nc2ccccc21 ZINC000119111309 1413340766 /nfs/dbraw/zinc/34/07/66/1413340766.db2.gz LEAIYJOSJYEPJY-CQSZACIVSA-N 0 1 375.419 3.254 20 0 GGADMN O=C(C[C@@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccco1 ZINC000119113597 1413341890 /nfs/dbraw/zinc/34/18/90/1413341890.db2.gz RLJGRWOFMXQCHF-OAHLLOKOSA-N 0 1 399.834 3.437 20 0 GGADMN CCOC(=O)C[C@@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000119120635 1413345652 /nfs/dbraw/zinc/34/56/52/1413345652.db2.gz LVDAXKVBEDYWLX-OAHLLOKOSA-N 0 1 395.931 3.193 20 0 GGADMN CCOC(=O)C[C@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000119120742 1413345775 /nfs/dbraw/zinc/34/57/75/1413345775.db2.gz LVDAXKVBEDYWLX-HNNXBMFYSA-N 0 1 395.931 3.193 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1c(C)noc1CC ZINC000119138316 1413351907 /nfs/dbraw/zinc/35/19/07/1413351907.db2.gz IZOKEXXRTRCTDN-UHFFFAOYSA-N 0 1 387.484 3.340 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)CC2)CCO1 ZINC000119143442 1413354164 /nfs/dbraw/zinc/35/41/64/1413354164.db2.gz QCZYRSIYYDRXGE-MGPUTAFESA-N 0 1 375.488 3.098 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1nc(Br)cs1 ZINC000119150712 1413355927 /nfs/dbraw/zinc/35/59/27/1413355927.db2.gz WVJMXJNPQPVGDM-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN Cc1noc(C)c1CNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119161396 1413359877 /nfs/dbraw/zinc/35/98/77/1413359877.db2.gz ZJUOMMLFDRLQGD-AWEZNQCLSA-N 0 1 394.357 3.017 20 0 GGADMN CC(=O)OC1CC[NH+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000824011207 1428720826 /nfs/dbraw/zinc/72/08/26/1428720826.db2.gz YXYUVUYBZKQODO-UHFFFAOYSA-N 0 1 377.448 3.061 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)n1cccc1 ZINC000119163244 1413361133 /nfs/dbraw/zinc/36/11/33/1413361133.db2.gz UDVZWTVODOEVJL-IBGZPJMESA-N 0 1 389.503 3.405 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1F ZINC000119174497 1413364917 /nfs/dbraw/zinc/36/49/17/1413364917.db2.gz KXAWROWQCKXFPR-AHRSYUTCSA-N 0 1 385.483 3.130 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1F ZINC000119174497 1413364925 /nfs/dbraw/zinc/36/49/25/1413364925.db2.gz KXAWROWQCKXFPR-AHRSYUTCSA-N 0 1 385.483 3.130 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119174927 1413365778 /nfs/dbraw/zinc/36/57/78/1413365778.db2.gz ZUJCFVUGMGEKBS-RFAUZJTJSA-N 0 1 392.385 3.173 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119175022 1413366036 /nfs/dbraw/zinc/36/60/36/1413366036.db2.gz ZUJCFVUGMGEKBS-BJOHPYRUSA-N 0 1 392.385 3.173 20 0 GGADMN COc1ccc([C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C2CC2)cc1 ZINC000119182248 1413368412 /nfs/dbraw/zinc/36/84/12/1413368412.db2.gz BHYOGQGKRJPMMO-IBGZPJMESA-N 0 1 395.484 3.335 20 0 GGADMN O=C(CCc1ccc(O)cc1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119182838 1413368460 /nfs/dbraw/zinc/36/84/60/1413368460.db2.gz KTSLOHWNKMMGRH-QGZVFWFLSA-N 0 1 390.365 3.368 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2OC(F)(F)F)cc1 ZINC000119182505 1413368534 /nfs/dbraw/zinc/36/85/34/1413368534.db2.gz IMXCKZJDLUTBCY-LBPRGKRZSA-N 0 1 388.411 3.344 20 0 GGADMN COc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccncc1 ZINC000119190776 1413370853 /nfs/dbraw/zinc/37/08/53/1413370853.db2.gz QBZIQOZAWFJXSO-REWPJTCUSA-N 0 1 376.456 3.417 20 0 GGADMN CCc1c(C(=O)NCCCN2CCN(c3ccccc3)CC2)cnn1CC(C)C ZINC000119198911 1413373027 /nfs/dbraw/zinc/37/30/27/1413373027.db2.gz UETYFWFDTTZORO-UHFFFAOYSA-N 0 1 397.567 3.044 20 0 GGADMN Cc1nc(CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)s1 ZINC000119205721 1413374975 /nfs/dbraw/zinc/37/49/75/1413374975.db2.gz DSEWVOCNCHSGIM-OAHLLOKOSA-N 0 1 395.410 3.345 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1(CC)CC ZINC000177406557 1428721867 /nfs/dbraw/zinc/72/18/67/1428721867.db2.gz SLAAGRODDOCXBA-RBUKOAKNSA-N 0 1 389.540 3.243 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)n[nH]1 ZINC000119212440 1413377409 /nfs/dbraw/zinc/37/74/09/1413377409.db2.gz QLANBJPHBDSSEE-SECBINFHSA-N 0 1 394.266 3.358 20 0 GGADMN CC(C)CCOCCNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119219053 1413378378 /nfs/dbraw/zinc/37/83/78/1413378378.db2.gz VGIZBVXBONGQLF-HNNXBMFYSA-N 0 1 399.417 3.275 20 0 GGADMN C[S@@](=O)c1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1F ZINC000119219988 1413379185 /nfs/dbraw/zinc/37/91/85/1413379185.db2.gz PXJXTJJIHJKKLA-SANMLTNESA-N 0 1 392.521 3.364 20 0 GGADMN C[C@@]1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCCO1 ZINC000119224829 1413381011 /nfs/dbraw/zinc/38/10/11/1413381011.db2.gz OWSWNCDTQQJVEB-FQEVSTJZSA-N 0 1 379.932 3.420 20 0 GGADMN CC(C)c1cc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)no1 ZINC000119227660 1413381522 /nfs/dbraw/zinc/38/15/22/1413381522.db2.gz PEXQRYXSPLUWNN-AWEZNQCLSA-N 0 1 379.342 3.454 20 0 GGADMN CO[C@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000119226960 1413381782 /nfs/dbraw/zinc/38/17/82/1413381782.db2.gz CEJVMEOTTZGJQB-HOTGVXAUSA-N 0 1 390.365 3.417 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000119228169 1413382171 /nfs/dbraw/zinc/38/21/71/1413382171.db2.gz JSPUDRGHIXMDHV-GCJKJVERSA-N 0 1 389.503 3.192 20 0 GGADMN CC(C)CCO[C@H](C)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119232397 1413383451 /nfs/dbraw/zinc/38/34/51/1413383451.db2.gz YCDGRMPLGDWYKK-DOMZBBRYSA-N 0 1 384.402 3.480 20 0 GGADMN C[C@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000119233845 1413384002 /nfs/dbraw/zinc/38/40/02/1413384002.db2.gz XAKXIEWRQFHYLB-XHDPSFHLSA-N 0 1 375.354 3.228 20 0 GGADMN C[C@@H]1CC(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000119236002 1413384909 /nfs/dbraw/zinc/38/49/09/1413384909.db2.gz CWHNFHUINFEXGR-HFAKWTLXSA-N 0 1 382.386 3.233 20 0 GGADMN CCOc1cc(C)ccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119256217 1413390737 /nfs/dbraw/zinc/39/07/37/1413390737.db2.gz XOIJYTPFBYTHLV-MRXNPFEDSA-N 0 1 376.522 3.495 20 0 GGADMN C[C@@H](NCc1ccccc1Cn1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119260888 1413392697 /nfs/dbraw/zinc/39/26/97/1413392697.db2.gz ZNNLUCCZHKPTSZ-OAHLLOKOSA-N 0 1 387.480 3.325 20 0 GGADMN CCn1c2ccccc2nc1[C@@H](C)NC[C@H](O)COc1cccc(C(C)=O)c1 ZINC000119264541 1413393971 /nfs/dbraw/zinc/39/39/71/1413393971.db2.gz UWTQZYRHRCFJRF-QAPCUYQASA-N 0 1 381.476 3.349 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000119264920 1413394048 /nfs/dbraw/zinc/39/40/48/1413394048.db2.gz UWTQZYRHRCFJRF-MAUKXSAKSA-N 0 1 381.476 3.349 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCc1cc(=O)oc2c(C)c(O)ccc12)c1ccccc1 ZINC000177411473 1428724788 /nfs/dbraw/zinc/72/47/88/1428724788.db2.gz XSNXPFZDDUVVRJ-JLTOFOAXSA-N 0 1 381.428 3.447 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000119275515 1413396941 /nfs/dbraw/zinc/39/69/41/1413396941.db2.gz WTXWCQRSFOFRFR-AWEZNQCLSA-N 0 1 387.480 3.341 20 0 GGADMN CCOc1ccc(-c2noc(CCC(=O)Nc3nc(-c4ccco4)n[nH]3)n2)cc1 ZINC000119281408 1413397979 /nfs/dbraw/zinc/39/79/79/1413397979.db2.gz RXKQYDCRCUHVEQ-UHFFFAOYSA-N 0 1 394.391 3.085 20 0 GGADMN c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826520884 1428725218 /nfs/dbraw/zinc/72/52/18/1428725218.db2.gz UEMOXSZNZLKVKU-LAUBAEHRSA-N 0 1 393.491 3.393 20 0 GGADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000119303225 1413405455 /nfs/dbraw/zinc/40/54/55/1413405455.db2.gz NQROGKFCSODJQL-IAGOWNOFSA-N 0 1 388.512 3.224 20 0 GGADMN Cc1nc(CC(C)C)c(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000119306357 1413406003 /nfs/dbraw/zinc/40/60/03/1413406003.db2.gz MSRGTAYFVSKEGI-UHFFFAOYSA-N 0 1 385.493 3.285 20 0 GGADMN Cc1cc(=O)oc2cc(OCCSc3nc(-c4ccccn4)n[nH]3)ccc12 ZINC000119309159 1413407357 /nfs/dbraw/zinc/40/73/57/1413407357.db2.gz VTFQJZLPUYZROO-UHFFFAOYSA-N 0 1 380.429 3.453 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000177412775 1428725689 /nfs/dbraw/zinc/72/56/89/1428725689.db2.gz YIECABJBVUJGPJ-SCLBCKFNSA-N 0 1 392.402 3.367 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)CCSc3ccccn3)CC2)c1 ZINC000119313147 1413408668 /nfs/dbraw/zinc/40/86/68/1413408668.db2.gz CZQQPTBCSQTADX-UHFFFAOYSA-N 0 1 398.576 3.201 20 0 GGADMN CC[C@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CC[NH2+]C1 ZINC000119331159 1413414413 /nfs/dbraw/zinc/41/44/13/1413414413.db2.gz UYNFVFCVJAVPDC-FQEVSTJZSA-N 0 1 387.505 3.124 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(F)cc3NC3CC3)cc2)CC1 ZINC000119336934 1413416530 /nfs/dbraw/zinc/41/65/30/1413416530.db2.gz QYHBSTCQDIFTER-UHFFFAOYSA-N 0 1 382.483 3.400 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000177414613 1428726321 /nfs/dbraw/zinc/72/63/21/1428726321.db2.gz PIQWPSNMBRGJJC-NRFANRHFSA-N 0 1 381.520 3.069 20 0 GGADMN CCc1ncc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cn1 ZINC000119354284 1413421680 /nfs/dbraw/zinc/42/16/80/1413421680.db2.gz VSTULIGVRTTZAV-SFHVURJKSA-N 0 1 383.496 3.396 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000119355792 1413422136 /nfs/dbraw/zinc/42/21/36/1413422136.db2.gz MAZIGHBSKWWJMB-FOIQADDNSA-N 0 1 387.911 3.119 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)C[C@@H](C)c3ccccc3C(F)(F)F)C2)CC1 ZINC000119365178 1413425516 /nfs/dbraw/zinc/42/55/16/1413425516.db2.gz UPMWGFSRGGURJB-SJORKVTESA-N 0 1 397.485 3.437 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccccc3OC3CCCCC3)C2)CC1 ZINC000119367603 1413426119 /nfs/dbraw/zinc/42/61/19/1413426119.db2.gz CRVRJYFJJTXSIU-IBGZPJMESA-N 0 1 385.552 3.250 20 0 GGADMN CCc1noc(CC)c1CC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119368841 1413426326 /nfs/dbraw/zinc/42/63/26/1413426326.db2.gz ZXDWIZFKANZKNA-CALCHBBNSA-N 0 1 399.535 3.268 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cccc(F)c3F)cc2)C[C@H](C)O1 ZINC000119369374 1413427084 /nfs/dbraw/zinc/42/70/84/1413427084.db2.gz ASPRANURWMIORJ-IYBDPMFKSA-N 0 1 388.458 3.433 20 0 GGADMN Cc1cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c(C)n1-c1nc[nH]n1 ZINC000119372869 1413428235 /nfs/dbraw/zinc/42/82/35/1413428235.db2.gz NNPBYFJZCPKPHP-UHFFFAOYSA-N 0 1 397.439 3.111 20 0 GGADMN COc1cc(CN[C@H]2CCCc3occc32)ccc1OCC(=O)N1CCCC1 ZINC000119377147 1413428608 /nfs/dbraw/zinc/42/86/08/1413428608.db2.gz KDEKUYGJRHRFGA-SFHVURJKSA-N 0 1 384.476 3.457 20 0 GGADMN COc1cc(CN[C@@H]2CCCc3occc32)ccc1OCC(=O)N1CCCC1 ZINC000119377032 1413428997 /nfs/dbraw/zinc/42/89/97/1413428997.db2.gz KDEKUYGJRHRFGA-GOSISDBHSA-N 0 1 384.476 3.457 20 0 GGADMN CS(=O)(=O)CCCCN1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000119386994 1413431370 /nfs/dbraw/zinc/43/13/70/1413431370.db2.gz QGSQMHXNLQZERZ-UHFFFAOYSA-N 0 1 378.582 3.332 20 0 GGADMN Cc1cc(CN[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F ZINC000119397137 1413433925 /nfs/dbraw/zinc/43/39/25/1413433925.db2.gz DSVJMWCSYFLRIP-INIZCTEOSA-N 0 1 392.496 3.006 20 0 GGADMN CC(C)CN1CCN(C(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 ZINC000119398203 1413434696 /nfs/dbraw/zinc/43/46/96/1413434696.db2.gz SHARDHVQICICOQ-UHFFFAOYSA-N 0 1 387.446 3.249 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000177417108 1428727789 /nfs/dbraw/zinc/72/77/89/1428727789.db2.gz PEEXLEXDXWKAIQ-SCLBCKFNSA-N 0 1 392.402 3.367 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000824616956 1428728198 /nfs/dbraw/zinc/72/81/98/1428728198.db2.gz BVJOTDYLQYLPFQ-FUHWJXTLSA-N 0 1 393.491 3.350 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000177418510 1428728468 /nfs/dbraw/zinc/72/84/68/1428728468.db2.gz OUACUFOBPDQNJW-JTSKRJEESA-N 0 1 395.503 3.365 20 0 GGADMN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000119436872 1413446693 /nfs/dbraw/zinc/44/66/93/1413446693.db2.gz CUKADLCDDVEFIS-GFCCVEGCSA-N 0 1 397.397 3.094 20 0 GGADMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000119445853 1413449342 /nfs/dbraw/zinc/44/93/42/1413449342.db2.gz NUMZOAZJDINDTI-NSHDSACASA-N 0 1 388.411 3.268 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCc1cc(=O)oc2cc(OC)ccc12)c1ccccc1 ZINC000177410061 1428724031 /nfs/dbraw/zinc/72/40/31/1428724031.db2.gz HHLUTDVPJLGATO-LHSJRXKWSA-N 0 1 381.428 3.442 20 0 GGADMN COc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC ZINC000119463424 1413456058 /nfs/dbraw/zinc/45/60/58/1413456058.db2.gz ACICUQIKIKSPAF-LBPRGKRZSA-N 0 1 398.912 3.198 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCc1cc(=O)oc2cc(OC)ccc12)c1ccccc1 ZINC000177410035 1428724168 /nfs/dbraw/zinc/72/41/68/1428724168.db2.gz HHLUTDVPJLGATO-QKKBWIMNSA-N 0 1 381.428 3.442 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000119467348 1413457509 /nfs/dbraw/zinc/45/75/09/1413457509.db2.gz XMSJEKNKDLBPNS-LIRRHRJNSA-N 0 1 386.471 3.194 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000119471311 1413458263 /nfs/dbraw/zinc/45/82/63/1413458263.db2.gz GMSXHUYHRKQILL-KGLIPLIRSA-N 0 1 379.476 3.135 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O ZINC000119484413 1413462420 /nfs/dbraw/zinc/46/24/20/1413462420.db2.gz HCOHYOWWCNQAAZ-AWEZNQCLSA-N 0 1 386.521 3.442 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O ZINC000119484249 1413462485 /nfs/dbraw/zinc/46/24/85/1413462485.db2.gz HCOHYOWWCNQAAZ-CQSZACIVSA-N 0 1 386.521 3.442 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000119491616 1413464512 /nfs/dbraw/zinc/46/45/12/1413464512.db2.gz WGKGPEPRQQJEIR-ZIAGYGMSSA-N 0 1 399.466 3.391 20 0 GGADMN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000119503044 1413468343 /nfs/dbraw/zinc/46/83/43/1413468343.db2.gz OLRDPXNTRYXPNT-UHFFFAOYSA-N 0 1 397.859 3.219 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177420959 1428729962 /nfs/dbraw/zinc/72/99/62/1428729962.db2.gz YPAJDFFSFRJTFC-UHFFFAOYSA-N 0 1 399.564 3.439 20 0 GGADMN COc1cc(F)c(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000119535297 1413478913 /nfs/dbraw/zinc/47/89/13/1413478913.db2.gz AFLVSQYCBKQBFB-HNNXBMFYSA-N 0 1 393.358 3.425 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360743 1428730333 /nfs/dbraw/zinc/73/03/33/1428730333.db2.gz WFWDAIMFPBGUCT-OAQYLSRUSA-N 0 1 399.502 3.474 20 0 GGADMN Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360743 1428730334 /nfs/dbraw/zinc/73/03/34/1428730334.db2.gz WFWDAIMFPBGUCT-OAQYLSRUSA-N 0 1 399.502 3.474 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360743 1428730337 /nfs/dbraw/zinc/73/03/37/1428730337.db2.gz WFWDAIMFPBGUCT-OAQYLSRUSA-N 0 1 399.502 3.474 20 0 GGADMN CC(C)[N@@H+](C)CCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735857781 1428730821 /nfs/dbraw/zinc/73/08/21/1428730821.db2.gz ZDNJKRNHKQYMHK-UHFFFAOYSA-N 0 1 394.479 3.119 20 0 GGADMN CC(C)[N@H+](C)CCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735857781 1428730825 /nfs/dbraw/zinc/73/08/25/1428730825.db2.gz ZDNJKRNHKQYMHK-UHFFFAOYSA-N 0 1 394.479 3.119 20 0 GGADMN CC(C)[N@@H+](C)CCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735857781 1428730832 /nfs/dbraw/zinc/73/08/32/1428730832.db2.gz ZDNJKRNHKQYMHK-UHFFFAOYSA-N 0 1 394.479 3.119 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)s1 ZINC000119564420 1413487127 /nfs/dbraw/zinc/48/71/27/1413487127.db2.gz UNJSXZVQAYPMSP-UHFFFAOYSA-N 0 1 386.517 3.372 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(-c2ccccn2)s1 ZINC000119591016 1413496504 /nfs/dbraw/zinc/49/65/04/1413496504.db2.gz GBPWWKLIAWWONP-YJBOKZPZSA-N 0 1 378.501 3.455 20 0 GGADMN COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000119609226 1413502559 /nfs/dbraw/zinc/50/25/59/1413502559.db2.gz NFJWBELUVIQCSX-IERDGZPVSA-N 0 1 380.488 3.077 20 0 GGADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1n[nH]c2c1CCCC2 ZINC000119610688 1413502972 /nfs/dbraw/zinc/50/29/72/1413502972.db2.gz KUVLSKWIZKQFGG-UHFFFAOYSA-N 0 1 396.472 3.342 20 0 GGADMN COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119609361 1413503065 /nfs/dbraw/zinc/50/30/65/1413503065.db2.gz NFJWBELUVIQCSX-KKSFZXQISA-N 0 1 380.488 3.077 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)CCC2CCOCC2)N2CCCC2)c1 ZINC000119615676 1413504929 /nfs/dbraw/zinc/50/49/29/1413504929.db2.gz DAPDSYPNVIERHH-NRFANRHFSA-N 0 1 389.540 3.290 20 0 GGADMN O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1O[C@H]1CCOC1 ZINC000119616200 1413505005 /nfs/dbraw/zinc/50/50/05/1413505005.db2.gz KXCRKMCABCAELQ-IBGZPJMESA-N 0 1 381.476 3.034 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccccc1O[C@H]1CCOC1 ZINC000119616200 1413505011 /nfs/dbraw/zinc/50/50/11/1413505011.db2.gz KXCRKMCABCAELQ-IBGZPJMESA-N 0 1 381.476 3.034 20 0 GGADMN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000177427995 1428732530 /nfs/dbraw/zinc/73/25/30/1428732530.db2.gz QGBQYMYOOBEOTJ-XMSQKQJNSA-N 0 1 382.504 3.242 20 0 GGADMN O=S1(=O)CCC[C@H](NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000119619955 1413506177 /nfs/dbraw/zinc/50/61/77/1413506177.db2.gz DMFFMXVQSFSZQP-NRFANRHFSA-N 0 1 395.528 3.265 20 0 GGADMN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000177427977 1428732679 /nfs/dbraw/zinc/73/26/79/1428732679.db2.gz QGBQYMYOOBEOTJ-PGRDOPGGSA-N 0 1 382.504 3.242 20 0 GGADMN CCN(CC)C(=O)[C@H](C)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000119623819 1413506682 /nfs/dbraw/zinc/50/66/82/1413506682.db2.gz XBXHBBLLWSSHLS-KBPBESRZSA-N 0 1 397.445 3.184 20 0 GGADMN CCN(CC)C(=O)[C@@H](C)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000119623648 1413506958 /nfs/dbraw/zinc/50/69/58/1413506958.db2.gz XBXHBBLLWSSHLS-KGLIPLIRSA-N 0 1 397.445 3.184 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000119624076 1413507652 /nfs/dbraw/zinc/50/76/52/1413507652.db2.gz MNADELGPMFVOMY-QGZVFWFLSA-N 0 1 394.494 3.176 20 0 GGADMN O=C(NCCc1c(F)cccc1Cl)NNC(=O)c1cc2ccccc2o1 ZINC000119647798 1413514738 /nfs/dbraw/zinc/51/47/38/1413514738.db2.gz YIJZYGCBCUSCOD-UHFFFAOYSA-N 0 1 375.787 3.412 20 0 GGADMN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000119648038 1413514831 /nfs/dbraw/zinc/51/48/31/1413514831.db2.gz HMRGILDKQZTJFU-MRXNPFEDSA-N 0 1 395.463 3.022 20 0 GGADMN COC(=O)c1ccc([C@H](C)N2CCC(C(=O)NCCc3cccs3)CC2)o1 ZINC000119664853 1413521552 /nfs/dbraw/zinc/52/15/52/1413521552.db2.gz SMJVHKHDGCTYGB-AWEZNQCLSA-N 0 1 390.505 3.260 20 0 GGADMN COc1cc([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)ccc1OCc1ccncc1 ZINC000177431011 1428733887 /nfs/dbraw/zinc/73/38/87/1428733887.db2.gz VUGZTEOXMAXCFO-VQIMIIECSA-N 0 1 383.492 3.329 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)ccc1OCc1ccncc1 ZINC000177430996 1428733930 /nfs/dbraw/zinc/73/39/30/1428733930.db2.gz VUGZTEOXMAXCFO-APWZRJJASA-N 0 1 383.492 3.329 20 0 GGADMN COC(=O)c1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c(F)cc1F ZINC000119674300 1413526692 /nfs/dbraw/zinc/52/66/92/1413526692.db2.gz OULKMHHKNWUPOW-INIZCTEOSA-N 0 1 393.390 3.303 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 ZINC000119680147 1413528633 /nfs/dbraw/zinc/52/86/33/1413528633.db2.gz SNZRIRYECQKATC-UHFFFAOYSA-N 0 1 389.415 3.073 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000119681562 1413529569 /nfs/dbraw/zinc/52/95/69/1413529569.db2.gz ZPUWSCOVDNREKE-KGLIPLIRSA-N 0 1 385.464 3.094 20 0 GGADMN COC(=O)c1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(F)cc1F ZINC000119683446 1413530463 /nfs/dbraw/zinc/53/04/63/1413530463.db2.gz SSZAVRGBRCYPAS-KRWDZBQOSA-N 0 1 395.381 3.315 20 0 GGADMN COc1ccc2c(c1)[nH]cc(C(=O)N1CCN(c3ccccc3F)CC1)c2=O ZINC000119704661 1413538773 /nfs/dbraw/zinc/53/87/73/1413538773.db2.gz OMKCBEVKELNOIA-UHFFFAOYSA-N 0 1 381.407 3.051 20 0 GGADMN CC(=O)c1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000119708512 1413540312 /nfs/dbraw/zinc/54/03/12/1413540312.db2.gz PUMGPCWZHFJCNR-UHFFFAOYSA-N 0 1 380.492 3.223 20 0 GGADMN COc1cc(Br)c(CNC[C@H](c2ccco2)N(C)C)cc1OC ZINC000119713853 1413542792 /nfs/dbraw/zinc/54/27/92/1413542792.db2.gz SFKKTVXCGQPUHQ-CQSZACIVSA-N 0 1 383.286 3.452 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ncccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000177433118 1428735676 /nfs/dbraw/zinc/73/56/76/1428735676.db2.gz MEYMAIWUVHVSMR-AWEZNQCLSA-N 0 1 385.361 3.195 20 0 GGADMN COc1cccc(-c2cc(-c3nc(CC(=O)NC4CCCCC4)no3)[nH]n2)c1 ZINC000119747109 1413553053 /nfs/dbraw/zinc/55/30/53/1413553053.db2.gz MKNSXDFAVBAFOR-UHFFFAOYSA-N 0 1 381.436 3.127 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000119749138 1413554192 /nfs/dbraw/zinc/55/41/92/1413554192.db2.gz YAGTVWWEPZQMRC-CHWSQXEVSA-N 0 1 376.432 3.268 20 0 GGADMN CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000119748331 1413554215 /nfs/dbraw/zinc/55/42/15/1413554215.db2.gz BVURRZQLTXQBRP-QGZVFWFLSA-N 0 1 389.525 3.118 20 0 GGADMN CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000119748331 1413554218 /nfs/dbraw/zinc/55/42/18/1413554218.db2.gz BVURRZQLTXQBRP-QGZVFWFLSA-N 0 1 389.525 3.118 20 0 GGADMN CC(=O)Nc1cc(C(=O)OCc2ccc3[nH]nnc3c2)cc(C(F)(F)F)c1 ZINC000119753117 1413555470 /nfs/dbraw/zinc/55/54/70/1413555470.db2.gz VGZJAWKVJCWHEJ-UHFFFAOYSA-N 0 1 378.310 3.292 20 0 GGADMN CC(=O)Nc1cc(C(=O)OCc2ccc3nn[nH]c3c2)cc(C(F)(F)F)c1 ZINC000119753117 1413555485 /nfs/dbraw/zinc/55/54/85/1413555485.db2.gz VGZJAWKVJCWHEJ-UHFFFAOYSA-N 0 1 378.310 3.292 20 0 GGADMN COc1ccccc1-c1nnc(CN2CCN(Cc3ccccc3)C[C@H]2C)o1 ZINC000119761790 1413558852 /nfs/dbraw/zinc/55/88/52/1413558852.db2.gz SVXZSDCVNRHLRK-QGZVFWFLSA-N 0 1 378.476 3.452 20 0 GGADMN COC(=O)Nc1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc(C(F)(F)F)c1 ZINC000119766378 1413560688 /nfs/dbraw/zinc/56/06/88/1413560688.db2.gz ZTOQDWMWZMOUNV-UHFFFAOYSA-N 0 1 379.298 3.407 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2c[nH]c3ccc(Cl)cc23)C[C@@H](C)O1 ZINC000119789512 1413570072 /nfs/dbraw/zinc/57/00/72/1413570072.db2.gz HFBJRTNQEGHIKB-RKVPGOIHSA-N 0 1 389.927 3.464 20 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Cc1noc(-c2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc2)n1 ZINC000120852018 1413926476 /nfs/dbraw/zinc/92/64/76/1413926476.db2.gz VZVFJRBNOMRTSF-MRXNPFEDSA-N 0 1 378.436 3.060 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(OC)c(F)c2)C12CCC2 ZINC000120857448 1413928489 /nfs/dbraw/zinc/92/84/89/1413928489.db2.gz IUDXKTWGGRKYLU-MOPGFXCFSA-N 0 1 378.488 3.072 20 0 GGADMN CCO[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(OC)c(F)c2)C12CCC2 ZINC000120857448 1413928497 /nfs/dbraw/zinc/92/84/97/1413928497.db2.gz IUDXKTWGGRKYLU-MOPGFXCFSA-N 0 1 378.488 3.072 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)N1CCCCCC1 ZINC000120859987 1413929079 /nfs/dbraw/zinc/92/90/79/1413929079.db2.gz FWIFMBGDDYAPQK-KRWDZBQOSA-N 0 1 386.471 3.458 20 0 GGADMN C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C(=O)c1cccc(F)c1 ZINC000120867832 1413931658 /nfs/dbraw/zinc/93/16/58/1413931658.db2.gz XUNWYCJNFGYLPF-XJKSGUPXSA-N 0 1 384.455 3.436 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 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JEDVOYLLSUYNDD-QGZVFWFLSA-N 0 1 395.507 3.152 20 0 GGADMN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120936713 1413953272 /nfs/dbraw/zinc/95/32/72/1413953272.db2.gz OXKYNWHPCZGMOW-HKUYNNGSSA-N 0 1 396.491 3.260 20 0 GGADMN O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000120939822 1413954156 /nfs/dbraw/zinc/95/41/56/1413954156.db2.gz DDTWXIWXUAJUHD-NRFANRHFSA-N 0 1 378.520 3.353 20 0 GGADMN O=C(c1cnc(-c2ccccn2)s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120950048 1413957193 /nfs/dbraw/zinc/95/71/93/1413957193.db2.gz DRHJNEWDCODQOH-ZDUSSCGKSA-N 0 1 380.477 3.220 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)NCc1ccccc1Cn1cccn1)C(C)C ZINC000120954507 1413958341 /nfs/dbraw/zinc/95/83/41/1413958341.db2.gz LKHJSVCWXKMRML-QFIPXVFZSA-N 0 1 391.519 3.238 20 0 GGADMN COc1ccccc1SCC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000120953303 1413958585 /nfs/dbraw/zinc/95/85/85/1413958585.db2.gz NVMUKKUFMVPNGP-UHFFFAOYSA-N 0 1 399.560 3.116 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(F)cc3F)C(C)C)CCO2)n[nH]1 ZINC000120961780 1413960747 /nfs/dbraw/zinc/96/07/47/1413960747.db2.gz ODLOHIBIEITLQJ-RDJZCZTQSA-N 0 1 393.438 3.126 20 0 GGADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000120963192 1413961486 /nfs/dbraw/zinc/96/14/86/1413961486.db2.gz NFBFBGGMMNTMPX-CQSZACIVSA-N 0 1 378.542 3.432 20 0 GGADMN NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc(Cl)c1 ZINC000177497072 1428769420 /nfs/dbraw/zinc/76/94/20/1428769420.db2.gz KCSAPXABPHWNFH-MOPGFXCFSA-N 0 1 385.895 3.037 20 0 GGADMN CCN(c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1)C(C)C ZINC000120979389 1413966500 /nfs/dbraw/zinc/96/65/00/1413966500.db2.gz CFJGNYDHUNPYEF-QGZVFWFLSA-N 0 1 382.512 3.332 20 0 GGADMN CN(CCNC(=O)N(CCCO)[C@H]1CCc2ccccc21)Cc1ccc(F)cc1 ZINC000120991518 1413970234 /nfs/dbraw/zinc/97/02/34/1413970234.db2.gz HKQAEQBCXCWRBJ-QFIPXVFZSA-N 0 1 399.510 3.339 20 0 GGADMN CN(CCNC(=O)N(CCCO)[C@@H]1CCc2ccccc21)Cc1ccc(F)cc1 ZINC000120991359 1413970405 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GGADMN CC[C@@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000177499073 1428770806 /nfs/dbraw/zinc/77/08/06/1428770806.db2.gz OWPYCZBEEOZOQT-MAUKXSAKSA-N 0 1 384.442 3.380 20 0 GGADMN CC(=O)c1cccc(OCCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000121035862 1413984505 /nfs/dbraw/zinc/98/45/05/1413984505.db2.gz MPOFIUAVRJRJNX-GOSISDBHSA-N 0 1 396.491 3.450 20 0 GGADMN O=C(Cc1cc(-c2ccccc2)on1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121038807 1413985612 /nfs/dbraw/zinc/98/56/12/1413985612.db2.gz SOKZMRITPKUJEU-INIZCTEOSA-N 0 1 377.448 3.286 20 0 GGADMN O=C(Cc1ccn[nH]1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000121045050 1413987555 /nfs/dbraw/zinc/98/75/55/1413987555.db2.gz LJFHHIQGTGWGKA-UHFFFAOYSA-N 0 1 384.480 3.164 20 0 GGADMN CCCN(CC(=O)Nc1c(C)nn(C)c1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121044650 1413987736 /nfs/dbraw/zinc/98/77/36/1413987736.db2.gz GBZMBJLABBLCPS-MSOLQXFVSA-N 0 1 376.545 3.425 20 0 GGADMN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121054779 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Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)n[nH]1 ZINC000122660999 1414532447 /nfs/dbraw/zinc/53/24/47/1414532447.db2.gz UZKXIBQMPOGYAV-AWEZNQCLSA-N 0 1 397.504 3.366 20 0 GGADMN COCCCOC1CCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000122679282 1414536289 /nfs/dbraw/zinc/53/62/89/1414536289.db2.gz KTOCQOYHLJWWLR-FUHWJXTLSA-N 0 1 380.554 3.318 20 0 GGADMN Cc1cc(C)n2nc(C(=O)Nc3cc(F)ccc3SCC(F)F)nc2n1 ZINC000122681790 1414536901 /nfs/dbraw/zinc/53/69/01/1414536901.db2.gz DVAPAVJNVSATPR-UHFFFAOYSA-N 0 1 381.383 3.490 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000122691046 1414539743 /nfs/dbraw/zinc/53/97/43/1414539743.db2.gz FJMRDHIRTJKPFM-MRXNPFEDSA-N 0 1 397.866 3.142 20 0 GGADMN CCn1cc([C@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC000122696264 1414541351 /nfs/dbraw/zinc/54/13/51/1414541351.db2.gz IUYMZWUGSCKROL-GUYCJALGSA-N 0 1 378.423 3.351 20 0 GGADMN CCc1cc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n[nH]1 ZINC000122700074 1414542302 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GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(F)c(F)c1F ZINC000122758460 1414557557 /nfs/dbraw/zinc/55/75/57/1414557557.db2.gz PDNJZAXUVUDKTL-NEPJUHHUSA-N 0 1 387.402 3.078 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(F)c(F)c1F ZINC000122758279 1414557865 /nfs/dbraw/zinc/55/78/65/1414557865.db2.gz PDNJZAXUVUDKTL-VXGBXAGGSA-N 0 1 387.402 3.078 20 0 GGADMN COc1ccc2c(c1)C[C@H](C(=O)Nc1nc(-c3ccccc3Cl)n[nH]1)CO2 ZINC000122764346 1414558715 /nfs/dbraw/zinc/55/87/15/1414558715.db2.gz MGHHMRFIIAOOGS-LBPRGKRZSA-N 0 1 384.823 3.324 20 0 GGADMN COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(-c3ccccc3Cl)n[nH]1)CO2 ZINC000122764560 1414558991 /nfs/dbraw/zinc/55/89/91/1414558991.db2.gz MGHHMRFIIAOOGS-GFCCVEGCSA-N 0 1 384.823 3.324 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1O ZINC000122770918 1414559967 /nfs/dbraw/zinc/55/99/67/1414559967.db2.gz XZJABFIXOIAVSP-UHFFFAOYSA-N 0 1 387.455 3.004 20 0 GGADMN C[C@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1C ZINC000122777521 1414561878 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0 GGADMN CCN(CC)[C@@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccccc1Cl ZINC000122819775 1414572992 /nfs/dbraw/zinc/57/29/92/1414572992.db2.gz SJMSSNXEPJSDCU-KRWDZBQOSA-N 0 1 393.940 3.265 20 0 GGADMN CCN(CC)[C@H](CNC(=O)CSc1cccc[n+]1[O-])c1ccccc1Cl ZINC000122819982 1414573323 /nfs/dbraw/zinc/57/33/23/1414573323.db2.gz SJMSSNXEPJSDCU-QGZVFWFLSA-N 0 1 393.940 3.265 20 0 GGADMN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(Cl)cc1Br ZINC000122851364 1414580426 /nfs/dbraw/zinc/58/04/26/1414580426.db2.gz TYLAXBLGTKGFEQ-NSHDSACASA-N 0 1 375.675 3.068 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000122827739 1414575052 /nfs/dbraw/zinc/57/50/52/1414575052.db2.gz REPWLVIDYIXLTR-OXQOHEQNSA-N 0 1 397.544 3.267 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000122827473 1414575298 /nfs/dbraw/zinc/57/52/98/1414575298.db2.gz REPWLVIDYIXLTR-JXFKEZNVSA-N 0 1 397.544 3.267 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)ccc2[nH]1 ZINC000122830508 1414575536 /nfs/dbraw/zinc/57/55/36/1414575536.db2.gz SJXCLTKUYXTGDE-FQEVSTJZSA-N 0 1 378.476 3.142 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000122831981 1414575917 /nfs/dbraw/zinc/57/59/17/1414575917.db2.gz HFQIYHZKBIJPHN-CRAIPNDOSA-N 0 1 383.517 3.126 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825923077 1428822924 /nfs/dbraw/zinc/82/29/24/1428822924.db2.gz BFIOAHNETOJPEQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825923077 1428822929 /nfs/dbraw/zinc/82/29/29/1428822929.db2.gz BFIOAHNETOJPEQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825923077 1428822934 /nfs/dbraw/zinc/82/29/34/1428822934.db2.gz BFIOAHNETOJPEQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)c1ccco1 ZINC000122845510 1414579181 /nfs/dbraw/zinc/57/91/81/1414579181.db2.gz UKGYHECBVNTUNJ-GOSISDBHSA-N 0 1 382.464 3.207 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Cl)CN1Cc1ccccc1 ZINC000122846789 1414579293 /nfs/dbraw/zinc/57/92/93/1414579293.db2.gz AWODPEGBDOYBRI-BBRMVZONSA-N 0 1 389.858 3.197 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)ncn2C)N1CCCC1 ZINC000122845931 1414579326 /nfs/dbraw/zinc/57/93/26/1414579326.db2.gz HIUGUNZVQHVKTG-FQEVSTJZSA-N 0 1 378.476 3.149 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Cl)CN1Cc1ccccc1 ZINC000122847151 1414579390 /nfs/dbraw/zinc/57/93/90/1414579390.db2.gz AWODPEGBDOYBRI-XJKSGUPXSA-N 0 1 389.858 3.197 20 0 GGADMN CCc1nc2cc(NC(=O)C(=O)NC[C@@H](c3ccco3)N(CC)CC)ccc2o1 ZINC000122847793 1414579699 /nfs/dbraw/zinc/57/96/99/1414579699.db2.gz ZUDLRYZFELXWCT-INIZCTEOSA-N 0 1 398.463 3.121 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(OCCF)c2)N(C)C)c1 ZINC000122853049 1414581074 /nfs/dbraw/zinc/58/10/74/1414581074.db2.gz KWIYYPYPRXVZMP-LJQANCHMSA-N 0 1 375.444 3.468 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2F)CN1Cc1ccccc1 ZINC000122857988 1414582022 /nfs/dbraw/zinc/58/20/22/1414582022.db2.gz QBALMAFKPVBFQS-BBRMVZONSA-N 0 1 389.858 3.197 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000122864942 1414583955 /nfs/dbraw/zinc/58/39/55/1414583955.db2.gz BHPIXDSCDYROIB-LPHOPBHVSA-N 0 1 393.503 3.193 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1Cl ZINC000122866469 1414584577 /nfs/dbraw/zinc/58/45/77/1414584577.db2.gz NZLPJYRRVSMNBW-YJBOKZPZSA-N 0 1 385.895 3.366 20 0 GGADMN COc1ccc(-n2ccc(CN[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)n2)cc1 ZINC000122869156 1414585111 /nfs/dbraw/zinc/58/51/11/1414585111.db2.gz IUTABIVGTXLWKF-RTBURBONSA-N 0 1 386.496 3.416 20 0 GGADMN COc1ccc(-n2ccc(CN[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)n2)cc1 ZINC000122869452 1414585287 /nfs/dbraw/zinc/58/52/87/1414585287.db2.gz IUTABIVGTXLWKF-MOPGFXCFSA-N 0 1 386.496 3.416 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Cl)CN1Cc1ccccc1 ZINC000122897876 1414591829 /nfs/dbraw/zinc/59/18/29/1414591829.db2.gz SZDGIDPLQXNUIG-XJKSGUPXSA-N 0 1 389.858 3.197 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122898101 1414592102 /nfs/dbraw/zinc/59/21/02/1414592102.db2.gz ZCILQAOEBWBUKD-WBVHZDCISA-N 0 1 383.517 3.126 20 0 GGADMN C[C@@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C[C@@H]1C ZINC000122913862 1414595552 /nfs/dbraw/zinc/59/55/52/1414595552.db2.gz JANMOELYEMCIOV-OLZOCXBDSA-N 0 1 381.402 3.203 20 0 GGADMN COc1ccc(-c2nc(C(=O)OC[C@@H]3CN(CC(C)C)CCO3)cs2)cc1 ZINC000122914121 1414595767 /nfs/dbraw/zinc/59/57/67/1414595767.db2.gz GXEPUAMHYZCBIY-KRWDZBQOSA-N 0 1 390.505 3.332 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122923071 1414597792 /nfs/dbraw/zinc/59/77/92/1414597792.db2.gz NPAMRVLDKPDNAJ-IEBWSBKVSA-N 0 1 395.503 3.111 20 0 GGADMN COc1cc2c(cc1NC(=O)CNC1(C(N)=O)CCCCC1)oc1ccccc12 ZINC000122948219 1414603201 /nfs/dbraw/zinc/60/32/01/1414603201.db2.gz QLECISDEDBFACA-UHFFFAOYSA-N 0 1 395.459 3.311 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000122964387 1414607168 /nfs/dbraw/zinc/60/71/68/1414607168.db2.gz YNHMRLLGQKBOSO-UHFFFAOYSA-N 0 1 376.416 3.464 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000122988748 1414614187 /nfs/dbraw/zinc/61/41/87/1414614187.db2.gz UAZBOXWQPIHOEF-BLLLJJGKSA-N 0 1 388.316 3.479 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C(F)F)c2)CN1Cc1ccccc1 ZINC000122992397 1414614745 /nfs/dbraw/zinc/61/47/45/1414614745.db2.gz HKVQWFXJSSKNFL-KSSFIOAISA-N 0 1 387.430 3.342 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000123032206 1414623530 /nfs/dbraw/zinc/62/35/30/1414623530.db2.gz INUQABRYVWZFCA-FUHWJXTLSA-N 0 1 385.439 3.188 20 0 GGADMN CCC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)c1nn[nH]n1 ZINC000177652058 1428823347 /nfs/dbraw/zinc/82/33/47/1428823347.db2.gz KNRSCEGHCYTUSD-AWEZNQCLSA-N 0 1 398.515 3.402 20 0 GGADMN CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000123047450 1414627003 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GGADMN COc1cc(OC)c(NS(=O)(=O)c2ccc(F)c3ncccc23)cc1F ZINC000123465935 1414741830 /nfs/dbraw/zinc/74/18/30/1414741830.db2.gz ALZIHFJAOFMPFQ-UHFFFAOYSA-N 0 1 380.372 3.331 20 0 GGADMN CCN(C(=O)CN1CCC(C(=O)N(C)C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000123468025 1414742595 /nfs/dbraw/zinc/74/25/95/1414742595.db2.gz MFGQWPBNPCBWME-KRWDZBQOSA-N 0 1 391.531 3.314 20 0 GGADMN O=C(NCCCc1nc(-c2ccncc2)cs1)c1cccc(-c2nnc[nH]2)c1 ZINC000123497318 1414753072 /nfs/dbraw/zinc/75/30/72/1414753072.db2.gz BXKOAYDMSASBDB-UHFFFAOYSA-N 0 1 390.472 3.353 20 0 GGADMN CC1(C)C(=O)N(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)C1(C)C ZINC000177690111 1428833842 /nfs/dbraw/zinc/83/38/42/1428833842.db2.gz QIAFVKYQGIGWAU-UHFFFAOYSA-N 0 1 397.563 3.494 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC2)cc1 ZINC000177693607 1428834759 /nfs/dbraw/zinc/83/47/59/1428834759.db2.gz ZJZZTTNRLVVCIE-IBGZPJMESA-N 0 1 387.568 3.216 20 0 GGADMN CC[N@@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000123538522 1414767394 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1 396.274 3.243 20 0 GGADMN Cc1cc(NCCC(=O)N2CCN(c3ccccn3)CC2)c2cc(F)ccc2n1 ZINC000123585112 1414783931 /nfs/dbraw/zinc/78/39/31/1414783931.db2.gz BOSLDIQXUGKRLR-UHFFFAOYSA-N 0 1 393.466 3.228 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123585263 1414784074 /nfs/dbraw/zinc/78/40/74/1414784074.db2.gz VJQALBDNHDWJSX-OIISXLGYSA-N 0 1 398.519 3.471 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)CN(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123589784 1414786350 /nfs/dbraw/zinc/78/63/50/1414786350.db2.gz RHJVOSIBEQWWIX-UYAOXDASSA-N 0 1 392.565 3.077 20 0 GGADMN CC(C)Oc1cccc(CN(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000123608747 1414793192 /nfs/dbraw/zinc/79/31/92/1414793192.db2.gz RLBAQRVKJMIBRG-UHFFFAOYSA-N 0 1 395.547 3.493 20 0 GGADMN COc1ccc(F)cc1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000123614356 1414795632 /nfs/dbraw/zinc/79/56/32/1414795632.db2.gz MWXDXXFAVUWAON-UHFFFAOYSA-N 0 1 378.310 3.225 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(F)cc1O ZINC000123628379 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20 0 GGADMN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)c2nnc[nH]2)c1 ZINC000123790017 1414824954 /nfs/dbraw/zinc/82/49/54/1414824954.db2.gz HGTBLOPPGGDQKQ-GFCCVEGCSA-N 0 1 399.838 3.375 20 0 GGADMN Cc1noc(C)c1CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123795402 1414825417 /nfs/dbraw/zinc/82/54/17/1414825417.db2.gz PAMRWPHEZVTBFE-IFXJQAMLSA-N 0 1 379.863 3.436 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123833721 1414831622 /nfs/dbraw/zinc/83/16/22/1414831622.db2.gz UYEOHJVQFXBKOB-LSDHHAIUSA-N 0 1 392.450 3.303 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CC1)NC1CCN(Cc2ccccn2)CC1 ZINC000123851430 1414834754 /nfs/dbraw/zinc/83/47/54/1414834754.db2.gz NQJQVUDYOROKIO-UHFFFAOYSA-N 0 1 382.483 3.216 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc([S@](C)=O)c3)n2)cc1 ZINC000123865797 1414838339 /nfs/dbraw/zinc/83/83/39/1414838339.db2.gz BMQKTPYHRSOSBX-AREMUKBSSA-N 0 1 386.502 3.248 20 0 GGADMN COCCCN(CCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177715990 1428841087 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GGADMN NS(=O)(=O)c1ccc(OCCN2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000177719683 1428841841 /nfs/dbraw/zinc/84/18/41/1428841841.db2.gz KKPSVVBJHUJJDX-UHFFFAOYSA-N 0 1 398.484 3.031 20 0 GGADMN CC(C)CC(=O)NCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123916672 1414849082 /nfs/dbraw/zinc/84/90/82/1414849082.db2.gz QXYXFGXEBHMJEU-FOIQADDNSA-N 0 1 397.922 3.141 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc(C(F)(F)F)n3)n2)cc1 ZINC000123923882 1414850626 /nfs/dbraw/zinc/85/06/26/1414850626.db2.gz ZUXFTPVYORYLNI-UHFFFAOYSA-N 0 1 392.341 3.216 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cccc(C(F)(F)F)n3)n[nH]2)cc1 ZINC000123923882 1414850629 /nfs/dbraw/zinc/85/06/29/1414850629.db2.gz ZUXFTPVYORYLNI-UHFFFAOYSA-N 0 1 392.341 3.216 20 0 GGADMN CC(=O)NCCCCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123929776 1414851550 /nfs/dbraw/zinc/85/15/50/1414851550.db2.gz QNQHMRFVSIJXNL-OXJNMPFZSA-N 0 1 397.922 3.285 20 0 GGADMN CCOCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123943458 1414854534 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GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123958126 1414857152 /nfs/dbraw/zinc/85/71/52/1414857152.db2.gz USFPAXWAEJCJQO-GFCCVEGCSA-N 0 1 390.377 3.184 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123958345 1414857229 /nfs/dbraw/zinc/85/72/29/1414857229.db2.gz USFPAXWAEJCJQO-LBPRGKRZSA-N 0 1 390.377 3.184 20 0 GGADMN Cc1cccn2cc(COc3ccc(CN(C)[C@@H]4CCCCNC4=O)cc3)nc12 ZINC000123957154 1414857255 /nfs/dbraw/zinc/85/72/55/1414857255.db2.gz GAIXGOMLSOYFSV-OAQYLSRUSA-N 0 1 392.503 3.322 20 0 GGADMN COc1c(C)cnc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826166935 1428842888 /nfs/dbraw/zinc/84/28/88/1428842888.db2.gz IETVQHDEJCROER-UHFFFAOYSA-N 0 1 376.464 3.176 20 0 GGADMN COc1c(C)cnc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826166935 1428842893 /nfs/dbraw/zinc/84/28/93/1428842893.db2.gz IETVQHDEJCROER-UHFFFAOYSA-N 0 1 376.464 3.176 20 0 GGADMN O=C(Nc1ccc(F)cc1Cl)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000123989113 1414863967 /nfs/dbraw/zinc/86/39/67/1414863967.db2.gz MFPVGEYSCBGMHG-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN COc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1OCc1cn2ccccc2n1 ZINC000123990338 1414864031 /nfs/dbraw/zinc/86/40/31/1414864031.db2.gz CCSNHQFZHXYXSG-UHFFFAOYSA-N 0 1 391.431 3.135 20 0 GGADMN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000123990341 1414864186 /nfs/dbraw/zinc/86/41/86/1414864186.db2.gz HOMUNCCLPPMUOI-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN COc1cccc([C@H](NC(=O)Cc2cc(C)n[nH]2)c2cc(F)ccc2OC)c1 ZINC000123995076 1414865107 /nfs/dbraw/zinc/86/51/07/1414865107.db2.gz BPZNREUVEPUKAV-NRFANRHFSA-N 0 1 383.423 3.323 20 0 GGADMN Cc1nc2ccc(NC(=O)C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc2o1 ZINC000123994388 1414865123 /nfs/dbraw/zinc/86/51/23/1414865123.db2.gz IWEAJWSYNCUWRJ-LJQANCHMSA-N 0 1 392.459 3.028 20 0 GGADMN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000123996581 1414865679 /nfs/dbraw/zinc/86/56/79/1414865679.db2.gz ZYRCOWMMQGJRHI-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN COC(=O)CCn1nc(C)c(CN2CCC(C(=O)c3ccccc3)CC2)c1C ZINC000123999215 1414866092 /nfs/dbraw/zinc/86/60/92/1414866092.db2.gz HOUWKNHRLWUUJX-UHFFFAOYSA-N 0 1 383.492 3.158 20 0 GGADMN O=c1c(NS(=O)(=O)c2cc(F)c(F)cc2F)cccn1Cc1ccccc1 ZINC000124011150 1414868405 /nfs/dbraw/zinc/86/84/05/1414868405.db2.gz DRPPGBIJTUIXQL-UHFFFAOYSA-N 0 1 394.374 3.115 20 0 GGADMN Cc1cc(C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1-n1cncn1 ZINC000124028958 1414872630 /nfs/dbraw/zinc/87/26/30/1414872630.db2.gz ZGMFIAGRFMXVBF-UHFFFAOYSA-N 0 1 376.460 3.376 20 0 GGADMN Cc1c([C@H](C)N[C@H](CO)Cc2c[nH]c3ccccc23)nnn1-c1ccc(F)cc1 ZINC000124064389 1414878543 /nfs/dbraw/zinc/87/85/43/1414878543.db2.gz XLLSWTFBYLOTAI-KSSFIOAISA-N 0 1 393.466 3.450 20 0 GGADMN CSc1ccccc1NC(=O)[C@H](C)N(C)CC(C)(C)CN1CCOCC1 ZINC000124070209 1414879923 /nfs/dbraw/zinc/87/99/23/1414879923.db2.gz OUTSPOQJSXCHBB-INIZCTEOSA-N 0 1 379.570 3.026 20 0 GGADMN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000124084329 1414882490 /nfs/dbraw/zinc/88/24/90/1414882490.db2.gz CUGRWQRXOFYNSP-ZDUSSCGKSA-N 0 1 376.451 3.001 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)n[nH]1 ZINC000124096311 1414884755 /nfs/dbraw/zinc/88/47/55/1414884755.db2.gz PVJWEBBLKVXGSK-KRWDZBQOSA-N 0 1 391.475 3.305 20 0 GGADMN CCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124115371 1414888132 /nfs/dbraw/zinc/88/81/32/1414888132.db2.gz UYIHIIYWORSGSX-CQSZACIVSA-N 0 1 376.936 3.333 20 0 GGADMN CCc1cc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000124127270 1414890738 /nfs/dbraw/zinc/89/07/38/1414890738.db2.gz LQOCYLGGEJNXLC-CQSZACIVSA-N 0 1 393.373 3.031 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C[C@@H]1C ZINC000124129935 1414891236 /nfs/dbraw/zinc/89/12/36/1414891236.db2.gz XHPUXESRCLCLEH-CALCHBBNSA-N 0 1 383.496 3.025 20 0 GGADMN CC[C@H]1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)C1 ZINC000124141417 1414894058 /nfs/dbraw/zinc/89/40/58/1414894058.db2.gz HNFUIXAPZKYOCB-SJORKVTESA-N 0 1 376.520 3.470 20 0 GGADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cncc(F)c1 ZINC000124169835 1414899025 /nfs/dbraw/zinc/89/90/25/1414899025.db2.gz CQVVAYGYPOOQLI-UHFFFAOYSA-N 0 1 391.450 3.190 20 0 GGADMN CN(CC(=O)N(Cc1ccco1)c1ccccc1)CC(C)(C)CN1CCOCC1 ZINC000124178405 1414901063 /nfs/dbraw/zinc/90/10/63/1414901063.db2.gz UMDINJDBJHVREY-UHFFFAOYSA-N 0 1 399.535 3.103 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000124186090 1414903095 /nfs/dbraw/zinc/90/30/95/1414903095.db2.gz UPLXKFGLPLOUKW-PZJWPPBQSA-N 0 1 393.531 3.311 20 0 GGADMN CC(=O)Oc1ccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000124204132 1414907731 /nfs/dbraw/zinc/90/77/31/1414907731.db2.gz HGGOUZCVXQSCQB-UHFFFAOYSA-N 0 1 380.488 3.279 20 0 GGADMN NC(=O)c1n[nH]c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)cc21 ZINC000124218126 1414911218 /nfs/dbraw/zinc/91/12/18/1414911218.db2.gz PAFJTYWXECBKFN-CHWSQXEVSA-N 0 1 388.349 3.423 20 0 GGADMN O=C(CN1CC[C@@H](Cc2ccccc2)C1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000124225201 1414913413 /nfs/dbraw/zinc/91/34/13/1414913413.db2.gz GPXOIWDTCLEGHB-SFHVURJKSA-N 0 1 377.488 3.082 20 0 GGADMN NC(=O)c1n[nH]c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)cc21 ZINC000124231229 1414914649 /nfs/dbraw/zinc/91/46/49/1414914649.db2.gz XALWYAHFYMYBLH-OLZOCXBDSA-N 0 1 388.349 3.423 20 0 GGADMN CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000124241066 1414917492 /nfs/dbraw/zinc/91/74/92/1414917492.db2.gz OTHQBBODZGQLHJ-IBGZPJMESA-N 0 1 387.505 3.300 20 0 GGADMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000124241066 1414917498 /nfs/dbraw/zinc/91/74/98/1414917498.db2.gz OTHQBBODZGQLHJ-IBGZPJMESA-N 0 1 387.505 3.300 20 0 GGADMN CCCN1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000124241066 1414917508 /nfs/dbraw/zinc/91/75/08/1414917508.db2.gz OTHQBBODZGQLHJ-IBGZPJMESA-N 0 1 387.505 3.300 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc5c4oc(=O)n5C)C3)[nH]c2c1 ZINC000124243435 1414918088 /nfs/dbraw/zinc/91/80/88/1414918088.db2.gz GBXWHTKNRXEZRF-AWEZNQCLSA-N 0 1 390.443 3.336 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N(C)CCCn1ccnc1 ZINC000124246879 1414918937 /nfs/dbraw/zinc/91/89/37/1414918937.db2.gz PGPNXUXZJZVSRG-KBPBESRZSA-N 0 1 385.537 3.389 20 0 GGADMN CC(=O)c1ccccc1OCCN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177742057 1428847861 /nfs/dbraw/zinc/84/78/61/1428847861.db2.gz JPWNVKVNZZOSAO-SFHVURJKSA-N 0 1 381.476 3.322 20 0 GGADMN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(CN2CCSCC2)cc1 ZINC000124261347 1414923581 /nfs/dbraw/zinc/92/35/81/1414923581.db2.gz DFDZNXCNJSFULR-ICSRJNTNSA-N 0 1 392.590 3.020 20 0 GGADMN O=S(=O)(CCNCc1ccc(Cl)c2cccnc12)NCc1ccccc1 ZINC000177748021 1428848782 /nfs/dbraw/zinc/84/87/82/1428848782.db2.gz CZIVYRCSXRXMDZ-UHFFFAOYSA-N 0 1 389.908 3.097 20 0 GGADMN O=C(CCCOc1ccc2c(c1)CCCC2)N1CCN(C2CCOCC2)CC1 ZINC000124313565 1414936343 /nfs/dbraw/zinc/93/63/43/1414936343.db2.gz SPJAGSHKYLTCQI-UHFFFAOYSA-N 0 1 386.536 3.048 20 0 GGADMN CN(CCCn1ccnc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000124318334 1414937788 /nfs/dbraw/zinc/93/77/88/1414937788.db2.gz RXIONAVPSKLPGY-UHFFFAOYSA-N 0 1 391.475 3.096 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)CCCn2ccnc2)cs1 ZINC000124324864 1414940209 /nfs/dbraw/zinc/94/02/09/1414940209.db2.gz KYHSWONXPRSYIE-UHFFFAOYSA-N 0 1 395.532 3.226 20 0 GGADMN O=C(CN1CCN(C2CCOCC2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000177750079 1428849381 /nfs/dbraw/zinc/84/93/81/1428849381.db2.gz AZZMSFRKNCLPKK-DEOSSOPVSA-N 0 1 399.579 3.221 20 0 GGADMN COc1ccc(CNCc2cnc3ccc(Br)cn23)cc1OC ZINC000124333362 1414942154 /nfs/dbraw/zinc/94/21/54/1414942154.db2.gz KXFYEITUJFAMQJ-UHFFFAOYSA-N 0 1 376.254 3.404 20 0 GGADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000177752630 1428849929 /nfs/dbraw/zinc/84/99/29/1428849929.db2.gz BZUVWEAZWNMEKB-JOCHJYFZSA-N 0 1 379.504 3.163 20 0 GGADMN Cc1cc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)c2cnn(C)c2n1 ZINC000177752287 1428850008 /nfs/dbraw/zinc/85/00/08/1428850008.db2.gz QTLSSMQHBODOIJ-UHFFFAOYSA-N 0 1 375.436 3.438 20 0 GGADMN CC(C)c1csc([C@@H](C#N)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n1 ZINC000177752656 1428850201 /nfs/dbraw/zinc/85/02/01/1428850201.db2.gz LIWOQQUIMNMINF-MZGVZZPPSA-N 0 1 392.550 3.169 20 0 GGADMN C[C@@H]1CNCCN1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000124381268 1414953540 /nfs/dbraw/zinc/95/35/40/1414953540.db2.gz GANCAZHYKVQKJI-GFCCVEGCSA-N 0 1 380.423 3.340 20 0 GGADMN N=C1Nc2nc3cc4c(cc3n2[C@]2(CCC[C@H](C(F)(F)F)C2)N1)OCCCO4 ZINC000124384377 1414954341 /nfs/dbraw/zinc/95/43/41/1414954341.db2.gz KSHFOKGNGTXMAS-BTDLBPIBSA-N 0 1 395.385 3.152 20 0 GGADMN Cc1cc2cc(NC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)ccc2[nH]1 ZINC000124394155 1414956276 /nfs/dbraw/zinc/95/62/76/1414956276.db2.gz IYAOKTDPVNEBIE-XMSQKQJNSA-N 0 1 392.503 3.481 20 0 GGADMN c1cc2ncnc(N3CCN(CCc4nc(-c5ccccc5)no4)CC3)c2s1 ZINC000124405997 1414960170 /nfs/dbraw/zinc/96/01/70/1414960170.db2.gz OVYDPRXHYHKJQK-UHFFFAOYSA-N 0 1 392.488 3.106 20 0 GGADMN CC(=O)N(c1nc(CNCCCc2nc3ccccc3n2C)cs1)C1CC1 ZINC000124405348 1414960318 /nfs/dbraw/zinc/96/03/18/1414960318.db2.gz PQBNOONGOKGCAX-UHFFFAOYSA-N 0 1 383.521 3.268 20 0 GGADMN CCCCO[C@H]1C[C@H](N(C)CC(=O)Nc2cccc(NC(C)=O)c2)C1(C)C ZINC000177736437 1428845662 /nfs/dbraw/zinc/84/56/62/1428845662.db2.gz YYRRSHHEZUPLPN-OALUTQOASA-N 0 1 375.513 3.499 20 0 GGADMN O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000177757521 1428851167 /nfs/dbraw/zinc/85/11/67/1428851167.db2.gz BQVQLNXSSNJCPH-MRXNPFEDSA-N 0 1 385.430 3.368 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000124417024 1414962944 /nfs/dbraw/zinc/96/29/44/1414962944.db2.gz YRNCOHBMRMPBLA-KRWDZBQOSA-N 0 1 384.524 3.189 20 0 GGADMN CC[NH+](CC)[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000124417266 1414963095 /nfs/dbraw/zinc/96/30/95/1414963095.db2.gz YRNCOHBMRMPBLA-QGZVFWFLSA-N 0 1 384.524 3.189 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(OCCF)c1 ZINC000124419295 1414964025 /nfs/dbraw/zinc/96/40/25/1414964025.db2.gz JCJCDBXEYBEQTL-UHFFFAOYSA-N 0 1 387.436 3.062 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000124418425 1414964137 /nfs/dbraw/zinc/96/41/37/1414964137.db2.gz GEUCUBRIASDIMV-CQSZACIVSA-N 0 1 388.537 3.004 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N(C)CC(C)(C)CN1CCOCC1 ZINC000124432783 1414966683 /nfs/dbraw/zinc/96/66/83/1414966683.db2.gz NOJHNZAOPVDPEM-SFHVURJKSA-N 0 1 389.584 3.429 20 0 GGADMN CN(C)[C@@H](CNC(=O)CSc1nccn1C(C)(C)C)c1ccc(F)cc1 ZINC000124437272 1414968150 /nfs/dbraw/zinc/96/81/50/1414968150.db2.gz UHZHFOUDXUUCLK-INIZCTEOSA-N 0 1 378.517 3.288 20 0 GGADMN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cn[nH]c1-c1ccccc1 ZINC000124439161 1414968668 /nfs/dbraw/zinc/96/86/68/1414968668.db2.gz QRTUOKUILBMLQN-UHFFFAOYSA-N 0 1 389.415 3.307 20 0 GGADMN C[C@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H](c2ccsc2)O1 ZINC000825000391 1428852408 /nfs/dbraw/zinc/85/24/08/1428852408.db2.gz PNZZQILRNZNYLM-SJCJKPOMSA-N 0 1 382.493 3.168 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1OC)c1ccccc1 ZINC000124482511 1414978381 /nfs/dbraw/zinc/97/83/81/1414978381.db2.gz DLHJMGPGYUZDQM-HXUWFJFHSA-N 0 1 383.492 3.419 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1OC)c1ccccc1 ZINC000124482287 1414978432 /nfs/dbraw/zinc/97/84/32/1414978432.db2.gz DLHJMGPGYUZDQM-FQEVSTJZSA-N 0 1 383.492 3.419 20 0 GGADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(N(C)C)cc1 ZINC000124487450 1414979623 /nfs/dbraw/zinc/97/96/23/1414979623.db2.gz SYTLWVJMYGHTAX-SFHVURJKSA-N 0 1 381.524 3.085 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC1CC[NH+](C2CCCC2)CC1 ZINC000822204275 1428852794 /nfs/dbraw/zinc/85/27/94/1428852794.db2.gz KDNIPSRVGIKITG-UHFFFAOYSA-N 0 1 395.486 3.103 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)C2)CC1 ZINC000124491217 1414980728 /nfs/dbraw/zinc/98/07/28/1414980728.db2.gz SCJLGJBTIVCDBO-GOSISDBHSA-N 0 1 398.473 3.425 20 0 GGADMN O=C(c1ccsc1)N1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000124493625 1414981041 /nfs/dbraw/zinc/98/10/41/1414981041.db2.gz QANNBASPNCELNE-UHFFFAOYSA-N 0 1 398.463 3.266 20 0 GGADMN Cc1ccc([C@H]2CCCCN2CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000124550066 1414991616 /nfs/dbraw/zinc/99/16/16/1414991616.db2.gz CLPFDBNZLVAOJZ-HXUWFJFHSA-N 0 1 395.503 3.100 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccsc2)N2CCCCC2)cc1 ZINC000124549129 1414991847 /nfs/dbraw/zinc/99/18/47/1414991847.db2.gz SMTSNBMSAWCIJS-GOSISDBHSA-N 0 1 387.505 3.039 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000124557275 1414993673 /nfs/dbraw/zinc/99/36/73/1414993673.db2.gz QRSIVOZCWDKETA-UHFFFAOYSA-N 0 1 380.492 3.337 20 0 GGADMN Cc1cc2ncn(CN3CCN(c4ncnc5sccc54)CC3)c2cc1C ZINC000124563196 1414994920 /nfs/dbraw/zinc/99/49/20/1414994920.db2.gz AXMRETXWNFUFBJ-UHFFFAOYSA-N 0 1 378.505 3.438 20 0 GGADMN O=C(CN1CCC(c2ccccc2)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000124565785 1414995459 /nfs/dbraw/zinc/99/54/59/1414995459.db2.gz DXOUOSLCRQXWPU-UHFFFAOYSA-N 0 1 393.531 3.337 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccccc1OC(F)F ZINC000177770118 1428854395 /nfs/dbraw/zinc/85/43/95/1428854395.db2.gz LARBNOHHHQOPEQ-CQSZACIVSA-N 0 1 384.448 3.058 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccccc1C(F)(F)F ZINC000177770746 1428854743 /nfs/dbraw/zinc/85/47/43/1428854743.db2.gz ALONHQBWAXNPPQ-CQSZACIVSA-N 0 1 386.439 3.476 20 0 GGADMN CC(=O)N(c1nc(CN[C@@H]2CCc3n[nH]cc3C2)cs1)c1ccc(F)cc1 ZINC000124613897 1415006165 /nfs/dbraw/zinc/00/61/65/1415006165.db2.gz JWCXVSULZBATRX-OAHLLOKOSA-N 0 1 385.468 3.337 20 0 GGADMN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cc(-c2ccccc2)n[nH]1 ZINC000124617807 1415006674 /nfs/dbraw/zinc/00/66/74/1415006674.db2.gz KDBGMXTYWHGCAP-UHFFFAOYSA-N 0 1 389.415 3.307 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(CS(C)(=O)=O)c3)[nH]2)c1 ZINC000124623173 1415007434 /nfs/dbraw/zinc/00/74/34/1415007434.db2.gz IGWGCDFXFOZGSS-UHFFFAOYSA-N 0 1 399.472 3.191 20 0 GGADMN Cc1nnc(-c2ccccc2C(=O)N2CCCN(Cc3ccccc3)CC2)o1 ZINC000124632846 1415009886 /nfs/dbraw/zinc/00/98/86/1415009886.db2.gz ZRZHZYUKVMGMBG-UHFFFAOYSA-N 0 1 376.460 3.393 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)nc1 ZINC000124637460 1415010739 /nfs/dbraw/zinc/01/07/39/1415010739.db2.gz BORYXUAIRHDHJH-UHFFFAOYSA-N 0 1 378.398 3.413 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000124653403 1415014221 /nfs/dbraw/zinc/01/42/21/1415014221.db2.gz WJZHDRXQVWKGQF-HXUWFJFHSA-N 0 1 395.503 3.193 20 0 GGADMN CCCCN(Cc1ccccc1F)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000124655786 1415014541 /nfs/dbraw/zinc/01/45/41/1415014541.db2.gz ZIKHEIGHFRRPAI-OAQYLSRUSA-N 0 1 392.563 3.409 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000124658195 1415015208 /nfs/dbraw/zinc/01/52/08/1415015208.db2.gz BZMAGYFADNJACZ-IBGZPJMESA-N 0 1 395.503 3.193 20 0 GGADMN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000124659656 1415015777 /nfs/dbraw/zinc/01/57/77/1415015777.db2.gz MYENLLIJWHBLFC-OAHLLOKOSA-N 0 1 389.858 3.198 20 0 GGADMN COc1ccc(CN(C)C(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000177793988 1428859773 /nfs/dbraw/zinc/85/97/73/1428859773.db2.gz RCTDWSCVYVALHX-OAQYLSRUSA-N 0 1 381.520 3.254 20 0 GGADMN COc1ccc(CN(C)C(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000177794005 1428859819 /nfs/dbraw/zinc/85/98/19/1428859819.db2.gz RCTDWSCVYVALHX-NRFANRHFSA-N 0 1 381.520 3.254 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000124744228 1415034841 /nfs/dbraw/zinc/03/48/41/1415034841.db2.gz XNZRCYYPXISCCW-HXUWFJFHSA-N 0 1 383.492 3.079 20 0 GGADMN CN(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCSC1 ZINC000124749694 1415035671 /nfs/dbraw/zinc/03/56/71/1415035671.db2.gz MCZOAVFUOZBWOL-CVEARBPZSA-N 0 1 387.471 3.427 20 0 GGADMN CN(Cc1ccc(Cl)c(F)c1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000124789099 1415044460 /nfs/dbraw/zinc/04/44/60/1415044460.db2.gz ITIJGNKFVMCESW-UHFFFAOYSA-N 0 1 388.830 3.134 20 0 GGADMN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000124794462 1415045476 /nfs/dbraw/zinc/04/54/76/1415045476.db2.gz SMWJZBJLZGKYMG-UGSOOPFHSA-N 0 1 384.480 3.438 20 0 GGADMN COC(=O)c1ccc(CN(C)C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000177801263 1428860914 /nfs/dbraw/zinc/86/09/14/1428860914.db2.gz VTZOMTLBROICSY-UHFFFAOYSA-N 0 1 379.416 3.144 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)c2)no1 ZINC000124808073 1415049264 /nfs/dbraw/zinc/04/92/64/1415049264.db2.gz HVDFXBWHECOURH-LJQANCHMSA-N 0 1 398.438 3.129 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000124813195 1415050441 /nfs/dbraw/zinc/05/04/41/1415050441.db2.gz FEEWGUVWSIALTN-KRWDZBQOSA-N 0 1 389.521 3.141 20 0 GGADMN O=C(Nc1nnc(C(F)(F)F)s1)N1CCCN(Cc2ccccc2)CC1 ZINC000124823645 1415052951 /nfs/dbraw/zinc/05/29/51/1415052951.db2.gz UQQIDOBFYJGOEY-UHFFFAOYSA-N 0 1 385.415 3.297 20 0 GGADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)CS(=O)(=O)C3CCCC3)n2)cc1 ZINC000124836657 1415055877 /nfs/dbraw/zinc/05/58/77/1415055877.db2.gz GQRZRQJFLWBHEU-UHFFFAOYSA-N 0 1 390.509 3.065 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(-c4nc[nH]n4)cc3)n2)cc1 ZINC000124917259 1415072472 /nfs/dbraw/zinc/07/24/72/1415072472.db2.gz ZPBHXYPWMPSVFT-UHFFFAOYSA-N 0 1 391.460 3.296 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCOC2(C1)CCCCCC2 ZINC000177784159 1428857466 /nfs/dbraw/zinc/85/74/66/1428857466.db2.gz OYPLSJVEPHZYBM-UHFFFAOYSA-N 0 1 386.540 3.181 20 0 GGADMN Cn1cc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000124928443 1415075036 /nfs/dbraw/zinc/07/50/36/1415075036.db2.gz UCENHVIETPXIIN-UHFFFAOYSA-N 0 1 381.402 3.179 20 0 GGADMN CCC[C@@](C)(O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000124970763 1415083534 /nfs/dbraw/zinc/08/35/34/1415083534.db2.gz RLZQZNDFHKDZMT-OAQYLSRUSA-N 0 1 375.513 3.381 20 0 GGADMN COC(=O)c1oc([C@H](C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1C ZINC000124989186 1415087301 /nfs/dbraw/zinc/08/73/01/1415087301.db2.gz TXRWLMOLOGVPOO-HNNXBMFYSA-N 0 1 385.464 3.490 20 0 GGADMN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000124987833 1415087321 /nfs/dbraw/zinc/08/73/21/1415087321.db2.gz NRGFNHVMYPIFDB-UHFFFAOYSA-N 0 1 399.451 3.267 20 0 GGADMN COc1ccnc(NCc2ccc(OCCN3CCOCC3)c(Cl)c2)c1 ZINC000125018206 1415092865 /nfs/dbraw/zinc/09/28/65/1415092865.db2.gz OTSBVCFXWJGWLG-UHFFFAOYSA-N 0 1 377.872 3.067 20 0 GGADMN O=C(C[C@H]1CCCN1C(=O)c1n[nH]cc1Br)c1ccc(F)cc1 ZINC000125034954 1415095987 /nfs/dbraw/zinc/09/59/87/1415095987.db2.gz WALRCLNWUWLKMA-GFCCVEGCSA-N 0 1 380.217 3.189 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1 ZINC000177825595 1428865588 /nfs/dbraw/zinc/86/55/88/1428865588.db2.gz VLGRCTRDNKVYJZ-UHFFFAOYSA-N 0 1 377.809 3.393 20 0 GGADMN N#CC(C(=O)COc1ccc2oc3c(c2c1)CCCC3)C(=O)Nc1ccccn1 ZINC000125079621 1415105169 /nfs/dbraw/zinc/10/51/69/1415105169.db2.gz QOOGMANBJHVJRM-QGZVFWFLSA-N 0 1 389.411 3.433 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000177826179 1428866279 /nfs/dbraw/zinc/86/62/79/1428866279.db2.gz UWCCZFRBVZSTBG-SFTDATJTSA-N 0 1 379.504 3.093 20 0 GGADMN CCCCCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000125118995 1415112603 /nfs/dbraw/zinc/11/26/03/1415112603.db2.gz DUWHRNQTMWWILK-UHFFFAOYSA-N 0 1 396.535 3.332 20 0 GGADMN C[C@@H](CNC(=O)NCc1nc(C(F)(F)F)cs1)N1CCc2ccccc2C1 ZINC000125134001 1415115983 /nfs/dbraw/zinc/11/59/83/1415115983.db2.gz HOBIJUJHLLKQRJ-LBPRGKRZSA-N 0 1 398.454 3.408 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N(C)Cc2cccc3ccccc32)CC1 ZINC000125134520 1415116301 /nfs/dbraw/zinc/11/63/01/1415116301.db2.gz VTNGUPCQEBHWQA-KRWDZBQOSA-N 0 1 382.504 3.462 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CCCNC(=O)OC(C)(C)C ZINC000125137528 1415116546 /nfs/dbraw/zinc/11/65/46/1415116546.db2.gz IACUQNBXHWGHEG-OAHLLOKOSA-N 0 1 386.496 3.408 20 0 GGADMN CN(C)c1ccc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cn1 ZINC000125160263 1415121212 /nfs/dbraw/zinc/12/12/12/1415121212.db2.gz YQDDQDQBVTVTJW-OAHLLOKOSA-N 0 1 383.414 3.038 20 0 GGADMN CN(C)c1ccc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)cn1 ZINC000125160024 1415121382 /nfs/dbraw/zinc/12/13/82/1415121382.db2.gz YQDDQDQBVTVTJW-HNNXBMFYSA-N 0 1 383.414 3.038 20 0 GGADMN CC(C)[C@H](CNC(=O)NCC(C)(C)c1cccc(Cl)c1)N1CCN(C)CC1 ZINC000125164654 1415122252 /nfs/dbraw/zinc/12/22/52/1415122252.db2.gz KVYRKYRHVHBPGW-IBGZPJMESA-N 0 1 394.991 3.189 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccnc(OCC(F)F)c2)N2CCCC2)o1 ZINC000125165489 1415122515 /nfs/dbraw/zinc/12/25/15/1415122515.db2.gz KAEHPFCHONTDHD-OAHLLOKOSA-N 0 1 379.407 3.194 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C[C@H]1c2ccccc2NC1=O)N1CCCC1 ZINC000125191864 1415127458 /nfs/dbraw/zinc/12/74/58/1415127458.db2.gz FMDMCMFSNMIBDS-AZUAARDMSA-N 0 1 393.487 3.074 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000125215673 1415132046 /nfs/dbraw/zinc/13/20/46/1415132046.db2.gz AJMXVLUWNGKXPO-GVDBMIGSSA-N 0 1 377.554 3.038 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000125240678 1415137484 /nfs/dbraw/zinc/13/74/84/1415137484.db2.gz MIZAVVUVCKXQJD-JYJNAYRXSA-N 0 1 386.517 3.107 20 0 GGADMN COc1cc(F)c([C@H](C)NCCCS(=O)(=O)c2ccccc2)cc1OC ZINC000177812552 1428863197 /nfs/dbraw/zinc/86/31/97/1428863197.db2.gz BTQSADGYIUOVLB-AWEZNQCLSA-N 0 1 381.469 3.358 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000177815188 1428863608 /nfs/dbraw/zinc/86/36/08/1428863608.db2.gz KNUHHRYVPIDRDM-MRXNPFEDSA-N 0 1 381.476 3.420 20 0 GGADMN C[C@@H](NC(=O)CN(C)CCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000125253931 1415143241 /nfs/dbraw/zinc/14/32/41/1415143241.db2.gz GOMVAOPGLNCANL-CQSZACIVSA-N 0 1 383.920 3.364 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000177818603 1428864256 /nfs/dbraw/zinc/86/42/56/1428864256.db2.gz BXECNVQHBWHFRH-HNNXBMFYSA-N 0 1 390.505 3.297 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000125280257 1415151026 /nfs/dbraw/zinc/15/10/26/1415151026.db2.gz WJHKHTJZEOBLFG-MRXNPFEDSA-N 0 1 391.865 3.361 20 0 GGADMN NC(=O)c1ccc(C(=O)OC[C@H]2CCCN(Cc3cc(F)ccc3F)C2)s1 ZINC000125286288 1415152659 /nfs/dbraw/zinc/15/26/59/1415152659.db2.gz INGVXMXAHKWOQE-LBPRGKRZSA-N 0 1 394.443 3.194 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000826169914 1428865087 /nfs/dbraw/zinc/86/50/87/1428865087.db2.gz JTDUHXYKFUUFPR-HXUWFJFHSA-N 0 1 392.507 3.192 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000821805628 1428870608 /nfs/dbraw/zinc/87/06/08/1428870608.db2.gz VOUNISNEGNXVAJ-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN Cc1nn(C)c(C)c1CC(=O)OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000125324782 1415164748 /nfs/dbraw/zinc/16/47/48/1415164748.db2.gz DBOFDHMKYWURJT-INIZCTEOSA-N 0 1 391.462 3.313 20 0 GGADMN Fc1ccc([C@H]2CCCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000826373867 1428871920 /nfs/dbraw/zinc/87/19/20/1428871920.db2.gz CFISILLUXFYIPH-QGZVFWFLSA-N 0 1 381.390 3.130 20 0 GGADMN Oc1cccc(CN2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000125384884 1415182751 /nfs/dbraw/zinc/18/27/51/1415182751.db2.gz ZRWBRAXIBMSIMO-HXUWFJFHSA-N 0 1 394.437 3.132 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000125397391 1415187241 /nfs/dbraw/zinc/18/72/41/1415187241.db2.gz YJDVIANZTISDPZ-CHWSQXEVSA-N 0 1 389.402 3.312 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(Cc3ccncc3)CC2)C12CCC2 ZINC000177854031 1428873579 /nfs/dbraw/zinc/87/35/79/1428873579.db2.gz XXUPAOWKZQJXHY-WOJBJXKFSA-N 0 1 386.540 3.035 20 0 GGADMN CC(C)NC(=O)CCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000125442945 1415199441 /nfs/dbraw/zinc/19/94/41/1415199441.db2.gz VILHNSFBMMIRMM-MGPUTAFESA-N 0 1 397.922 3.283 20 0 GGADMN O=C(Nc1cc(F)c(F)c(F)c1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000125454748 1415203740 /nfs/dbraw/zinc/20/37/40/1415203740.db2.gz TYMAFCWTTVTLNP-RDTXWAMCSA-N 0 1 393.409 3.108 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000125474923 1415209421 /nfs/dbraw/zinc/20/94/21/1415209421.db2.gz UYSMZBSXJNFBQM-CQSZACIVSA-N 0 1 397.429 3.269 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000125488354 1415212774 /nfs/dbraw/zinc/21/27/74/1415212774.db2.gz ZBAUNZDGDSORLS-HNNXBMFYSA-N 0 1 383.467 3.206 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000125494804 1415214002 /nfs/dbraw/zinc/21/40/02/1415214002.db2.gz MLYRGGGOOXIFIF-INIZCTEOSA-N 0 1 397.494 3.467 20 0 GGADMN Cc1noc2nc(C(C)C)cc(C(=O)OC[C@@H]3C[N@@H+](CC(C)C)CCO3)c12 ZINC000125498440 1415214345 /nfs/dbraw/zinc/21/43/45/1415214345.db2.gz ZKVDGMDIJRKHCY-HNNXBMFYSA-N 0 1 375.469 3.168 20 0 GGADMN Cc1noc2nc(C(C)C)cc(C(=O)OC[C@@H]3CN(CC(C)C)CCO3)c12 ZINC000125498440 1415214353 /nfs/dbraw/zinc/21/43/53/1415214353.db2.gz ZKVDGMDIJRKHCY-HNNXBMFYSA-N 0 1 375.469 3.168 20 0 GGADMN Cc1nc(C)c(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000125508321 1415216992 /nfs/dbraw/zinc/21/69/92/1415216992.db2.gz FDICWZXNHLXEQJ-GFCCVEGCSA-N 0 1 376.501 3.142 20 0 GGADMN C[C@@H](NC(=O)CCOc1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000125510222 1415217349 /nfs/dbraw/zinc/21/73/49/1415217349.db2.gz AOYSHFLPDCQJGP-QGZVFWFLSA-N 0 1 385.483 3.224 20 0 GGADMN C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000125511871 1415217564 /nfs/dbraw/zinc/21/75/64/1415217564.db2.gz BZMHYGVCBNTPOF-INIZCTEOSA-N 0 1 395.478 3.231 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-n5ccnn5)cc4)C3)[nH]c2c1 ZINC000125516483 1415219130 /nfs/dbraw/zinc/21/91/30/1415219130.db2.gz QBFLBRQDGNPUSY-QGZVFWFLSA-N 0 1 386.459 3.472 20 0 GGADMN CCc1nc(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cs1 ZINC000125530819 1415221130 /nfs/dbraw/zinc/22/11/30/1415221130.db2.gz UHYXIVUDIGEEMZ-CQSZACIVSA-N 0 1 390.528 3.016 20 0 GGADMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000125536616 1415222364 /nfs/dbraw/zinc/22/23/64/1415222364.db2.gz AXTUGDTXLAFLRD-UHFFFAOYSA-N 0 1 391.836 3.113 20 0 GGADMN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(OC2CCCCC2)CC1 ZINC000125539370 1415222659 /nfs/dbraw/zinc/22/26/59/1415222659.db2.gz WJKRWFXJUWOXFV-KRWDZBQOSA-N 0 1 387.524 3.215 20 0 GGADMN COc1ccc(CN(CCO)C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c(OC)c1 ZINC000125554475 1415225438 /nfs/dbraw/zinc/22/54/38/1415225438.db2.gz PTXVBDFHXDCWTD-UHFFFAOYSA-N 0 1 395.459 3.037 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000125556815 1415225752 /nfs/dbraw/zinc/22/57/52/1415225752.db2.gz RZTCMJPXDLAZLM-FQEVSTJZSA-N 0 1 395.503 3.286 20 0 GGADMN C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000125567912 1415228628 /nfs/dbraw/zinc/22/86/28/1415228628.db2.gz CCOCXLZOBGTRKR-DXCKQFNASA-N 0 1 397.922 3.139 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000125579733 1415230692 /nfs/dbraw/zinc/23/06/92/1415230692.db2.gz LGUTTWZKCWIDID-UHFFFAOYSA-N 0 1 381.480 3.349 20 0 GGADMN COc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c(OC)c1 ZINC000125616882 1415238940 /nfs/dbraw/zinc/23/89/40/1415238940.db2.gz QDLZSRLIRAARHU-UHFFFAOYSA-N 0 1 384.480 3.408 20 0 GGADMN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000177879591 1428881237 /nfs/dbraw/zinc/88/12/37/1428881237.db2.gz BZJJIOYWWXOCMI-MRXNPFEDSA-N 0 1 388.533 3.471 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736903309 1428881906 /nfs/dbraw/zinc/88/19/06/1428881906.db2.gz ZLLGAIMLUNRTFU-WMZOPIPTSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736903309 1428881909 /nfs/dbraw/zinc/88/19/09/1428881909.db2.gz ZLLGAIMLUNRTFU-WMZOPIPTSA-N 0 1 397.866 3.224 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177885688 1428883046 /nfs/dbraw/zinc/88/30/46/1428883046.db2.gz XIYZMKJDRWTSPB-HNAYVOBHSA-N 0 1 380.492 3.257 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCSC(C)(C)C1 ZINC000177885174 1428883071 /nfs/dbraw/zinc/88/30/71/1428883071.db2.gz WOARZTJXQVFQBZ-UHFFFAOYSA-N 0 1 392.569 3.196 20 0 GGADMN O=C(NC[C@H]1CCCCN1C[C@H](O)COc1ccccc1)Nc1ccccc1 ZINC000125676383 1415252022 /nfs/dbraw/zinc/25/20/22/1415252022.db2.gz ZXOMLHMYXHTCFR-UXHICEINSA-N 0 1 383.492 3.103 20 0 GGADMN CC(C)N(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000125678252 1415252494 /nfs/dbraw/zinc/25/24/94/1415252494.db2.gz YAERHHAKEMXMBQ-UHFFFAOYSA-N 0 1 395.912 3.420 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000125713071 1415260475 /nfs/dbraw/zinc/26/04/75/1415260475.db2.gz QBLDQJMIWARKSO-INIZCTEOSA-N 0 1 379.476 3.191 20 0 GGADMN C[C@@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccnc1Cl ZINC000177893676 1428885376 /nfs/dbraw/zinc/88/53/76/1428885376.db2.gz IJRDLSWMTDLCMP-OAHLLOKOSA-N 0 1 390.890 3.264 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(-n2ccnn2)c1 ZINC000125739368 1415267117 /nfs/dbraw/zinc/26/71/17/1415267117.db2.gz FUONPXVIIXZTSY-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000824545458 1428892191 /nfs/dbraw/zinc/89/21/91/1428892191.db2.gz CPVNVXZHIVGONQ-FDSYCPBNSA-N 0 1 381.505 3.332 20 0 GGADMN CCc1nc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)n[nH]1 ZINC000125743128 1415267474 /nfs/dbraw/zinc/26/74/74/1415267474.db2.gz DVLJYYCKQXFUGR-UHFFFAOYSA-N 0 1 399.476 3.037 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C)C1CCC(CO)CC1)N1CCCC1 ZINC000125748021 1415268962 /nfs/dbraw/zinc/26/89/62/1415268962.db2.gz JQYUHYFFIFHUMS-QLOJAFMTSA-N 0 1 389.540 3.025 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000125754931 1415271489 /nfs/dbraw/zinc/27/14/89/1415271489.db2.gz FEEVPHKAHIJWMW-LEWJYISDSA-N 0 1 387.499 3.411 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000125774751 1415277223 /nfs/dbraw/zinc/27/72/23/1415277223.db2.gz JQIOWTCHNHMEOT-GOSISDBHSA-N 0 1 380.508 3.008 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1c[nH]nc1-c1c(F)cccc1F ZINC000177908437 1428888634 /nfs/dbraw/zinc/88/86/34/1428888634.db2.gz UFBFGSIPINJKCM-UHFFFAOYSA-N 0 1 397.429 3.144 20 0 GGADMN COc1ccc2[nH]cc(C3CCN([C@H](C)C(=O)NC[C@@H]4CCCO4)CC3)c2c1 ZINC000125798224 1415283808 /nfs/dbraw/zinc/28/38/08/1415283808.db2.gz JTGKSHNENHEYEY-QAPCUYQASA-N 0 1 385.508 3.040 20 0 GGADMN Nn1c(SCc2ccc(Cl)nc2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000125813038 1415288443 /nfs/dbraw/zinc/28/84/43/1415288443.db2.gz KBUHSLRUNOQBGA-UHFFFAOYSA-N 0 1 383.868 3.390 20 0 GGADMN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)NCc1ccccn1 ZINC000125818952 1415289307 /nfs/dbraw/zinc/28/93/07/1415289307.db2.gz BTJFOPGOEWJOBD-UHFFFAOYSA-N 0 1 398.510 3.085 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cnn(Cc3ccccc3)c2)N(C)C)c1 ZINC000125823036 1415289927 /nfs/dbraw/zinc/28/99/27/1415289927.db2.gz GRZWIPVEESHJQO-NRFANRHFSA-N 0 1 393.491 3.364 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cnn(Cc3ccccc3)c2)N(C)C)c1 ZINC000125823254 1415290233 /nfs/dbraw/zinc/29/02/33/1415290233.db2.gz GRZWIPVEESHJQO-OAQYLSRUSA-N 0 1 393.491 3.364 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(C(=O)c3ccccc3)CC2)c1C ZINC000125824949 1415290652 /nfs/dbraw/zinc/29/06/52/1415290652.db2.gz XRGFPWBFEYWJJL-QFIPXVFZSA-N 0 1 396.531 3.200 20 0 GGADMN CCc1nc(CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)cs1 ZINC000125839811 1415294639 /nfs/dbraw/zinc/29/46/39/1415294639.db2.gz COXSZIHBUZCCOK-UHFFFAOYSA-N 0 1 383.506 3.360 20 0 GGADMN C[C@@H](Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N)c1nc(C2CC2)no1 ZINC000125839570 1415294675 /nfs/dbraw/zinc/29/46/75/1415294675.db2.gz JCCXZALGVXFKRA-SNVBAGLBSA-N 0 1 394.464 3.163 20 0 GGADMN CC(C)(C)c1nnc(CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)o1 ZINC000125844641 1415295096 /nfs/dbraw/zinc/29/50/96/1415295096.db2.gz PWDOHQFBEGLTTA-UHFFFAOYSA-N 0 1 396.480 3.022 20 0 GGADMN CC(C)(C)c1nc(CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)no1 ZINC000125849270 1415296237 /nfs/dbraw/zinc/29/62/37/1415296237.db2.gz LOMNFDYDWNHTLH-UHFFFAOYSA-N 0 1 396.480 3.022 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN2CCCC[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000125855835 1415297982 /nfs/dbraw/zinc/29/79/82/1415297982.db2.gz HXSALPNNMAMHNH-QFIPXVFZSA-N 0 1 385.552 3.464 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN2CCCC[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000125856031 1415298067 /nfs/dbraw/zinc/29/80/67/1415298067.db2.gz HXSALPNNMAMHNH-JOCHJYFZSA-N 0 1 385.552 3.464 20 0 GGADMN COc1ccc(CCCN(C)CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 ZINC000125858069 1415298665 /nfs/dbraw/zinc/29/86/65/1415298665.db2.gz XZEBZRHPMHSKPY-UHFFFAOYSA-N 0 1 397.519 3.337 20 0 GGADMN CC(=O)c1c[nH]c(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000125872961 1415302041 /nfs/dbraw/zinc/30/20/41/1415302041.db2.gz NMUGABCQWRZMDD-UHFFFAOYSA-N 0 1 381.398 3.440 20 0 GGADMN CN(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCC(CO)CC1 ZINC000125892443 1415306691 /nfs/dbraw/zinc/30/66/91/1415306691.db2.gz RZAMOZAKGBUPOC-UHFFFAOYSA-N 0 1 393.959 3.497 20 0 GGADMN COc1ccc(CCCN(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000125893351 1415306716 /nfs/dbraw/zinc/30/67/16/1415306716.db2.gz PDRMEDRISFXGHV-UHFFFAOYSA-N 0 1 395.503 3.091 20 0 GGADMN CCc1ccc([C@@H]2COCCN2C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)o1 ZINC000125912090 1415311175 /nfs/dbraw/zinc/31/11/75/1415311175.db2.gz JVKYCYFMYQSWTB-MOPGFXCFSA-N 0 1 389.471 3.367 20 0 GGADMN COCCN(Cc1ccco1)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000125915959 1415312029 /nfs/dbraw/zinc/31/20/29/1415312029.db2.gz QXRZIEZKXRFVKY-UHFFFAOYSA-N 0 1 386.477 3.140 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000125919777 1415313206 /nfs/dbraw/zinc/31/32/06/1415313206.db2.gz XHBMHLUKTNIWLG-VQTJNVASSA-N 0 1 395.503 3.228 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1C(=O)N(C)C ZINC000177950615 1428898773 /nfs/dbraw/zinc/89/87/73/1428898773.db2.gz PQUDGACWVIIWFO-IBGZPJMESA-N 0 1 386.471 3.260 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC000125924512 1415314566 /nfs/dbraw/zinc/31/45/66/1415314566.db2.gz WPLWPGALTUKWMT-ZNMIVQPWSA-N 0 1 382.574 3.252 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C(=O)N(C)C ZINC000177953974 1428899316 /nfs/dbraw/zinc/89/93/16/1428899316.db2.gz ARJVROCZLJXFFE-SFHVURJKSA-N 0 1 384.480 3.248 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1C(=O)N(C)C ZINC000177953986 1428899532 /nfs/dbraw/zinc/89/95/32/1428899532.db2.gz ARJVROCZLJXFFE-GOSISDBHSA-N 0 1 384.480 3.248 20 0 GGADMN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1 ZINC000125946821 1415319281 /nfs/dbraw/zinc/31/92/81/1415319281.db2.gz OBXVGDMBLIGHIM-GFCCVEGCSA-N 0 1 394.479 3.208 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C(N)=O)c1ccccc1 ZINC000125967935 1415325378 /nfs/dbraw/zinc/32/53/78/1415325378.db2.gz GUEYOLGYRVIKSL-YVEFUNNKSA-N 0 1 379.382 3.239 20 0 GGADMN C[C@]1(CO)CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000125969754 1415326046 /nfs/dbraw/zinc/32/60/46/1415326046.db2.gz KDNHBXOYZFCZGP-NRFANRHFSA-N 0 1 393.959 3.356 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000125976774 1415327144 /nfs/dbraw/zinc/32/71/44/1415327144.db2.gz DIFQEKOXENOCSL-OAQYLSRUSA-N 0 1 395.503 3.367 20 0 GGADMN COc1cc(F)c(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1F ZINC000125975509 1415327331 /nfs/dbraw/zinc/32/73/31/1415327331.db2.gz DHOLJCHFMUXCEW-UHFFFAOYSA-N 0 1 391.399 3.001 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2C)cc1 ZINC000177958650 1428901960 /nfs/dbraw/zinc/90/19/60/1428901960.db2.gz WEZLDKVMCIATRJ-CABCVRRESA-N 0 1 378.542 3.171 20 0 GGADMN COc1ccnc(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000125987432 1415330079 /nfs/dbraw/zinc/33/00/79/1415330079.db2.gz JGKFAPSQRBPNMR-AWEZNQCLSA-N 0 1 375.419 3.211 20 0 GGADMN CC[C@@H](CC(=O)N1CCN(c2cc(OC)ccn2)CC1)c1ccc(OC)cc1 ZINC000125991048 1415331514 /nfs/dbraw/zinc/33/15/14/1415331514.db2.gz QKPBXZWLVLBHMC-KRWDZBQOSA-N 0 1 383.492 3.331 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)c2cnn(C)c2C)ccc1S(=O)(=O)C(F)F ZINC000177961211 1428902697 /nfs/dbraw/zinc/90/26/97/1428902697.db2.gz HCHXIEQVNVWJOB-WDEREUQCSA-N 0 1 387.452 3.145 20 0 GGADMN CCc1cc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)on1 ZINC000736675447 1428902657 /nfs/dbraw/zinc/90/26/57/1428902657.db2.gz MCOYWWQZBFFEOK-UHFFFAOYSA-N 0 1 390.447 3.286 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnn1C ZINC000177962951 1428903918 /nfs/dbraw/zinc/90/39/18/1428903918.db2.gz YSQNSDVWHSAQBX-JKSUJKDBSA-N 0 1 390.553 3.315 20 0 GGADMN COc1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821821292 1428904611 /nfs/dbraw/zinc/90/46/11/1428904611.db2.gz DPYGEKPFAVQLEA-UHFFFAOYSA-N 0 1 378.480 3.126 20 0 GGADMN Cc1cc(C)nc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000126067351 1415349069 /nfs/dbraw/zinc/34/90/69/1415349069.db2.gz QMHRMUBTRQOUTH-INIZCTEOSA-N 0 1 385.487 3.472 20 0 GGADMN Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000126069685 1415349751 /nfs/dbraw/zinc/34/97/51/1415349751.db2.gz UIMRSWNIYNPZPB-KRWDZBQOSA-N 0 1 383.323 3.198 20 0 GGADMN COc1cc(CN2CCN(c3cnn(C)c3)CC2)c(-c2ccccc2)cc1OC ZINC000126069117 1415349761 /nfs/dbraw/zinc/34/97/61/1415349761.db2.gz FUCCUMGCZISZKS-UHFFFAOYSA-N 0 1 392.503 3.427 20 0 GGADMN Cc1ccccc1NC(=O)C[C@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968309 1428906506 /nfs/dbraw/zinc/90/65/06/1428906506.db2.gz BFGLOHQGYFMCFB-HNNXBMFYSA-N 0 1 394.924 3.429 20 0 GGADMN COCc1nc2n(n1)C[C@H](Nc1ccnc3cc(C(F)(F)F)ccc31)CC2 ZINC000126091566 1415356191 /nfs/dbraw/zinc/35/61/91/1415356191.db2.gz ONCLUVJYOJLGKU-GFCCVEGCSA-N 0 1 377.370 3.418 20 0 GGADMN CCOc1ccc(OCCN2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000126099185 1415357635 /nfs/dbraw/zinc/35/76/35/1415357635.db2.gz WQBKVABXYNMLHE-UHFFFAOYSA-N 0 1 386.467 3.451 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)N(C)C)c1 ZINC000177933846 1428894736 /nfs/dbraw/zinc/89/47/36/1428894736.db2.gz PYGXUVVELZNKRK-HXUWFJFHSA-N 0 1 398.507 3.130 20 0 GGADMN C[C@@H]1CCN(C(=O)c2ccc(CN3CCSCC3)cc2)C[C@H]1n1ccnc1 ZINC000126162888 1415373878 /nfs/dbraw/zinc/37/38/78/1415373878.db2.gz STLQXGJITFGFMO-YLJYHZDGSA-N 0 1 384.549 3.155 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CN1C1CC1 ZINC000126163695 1415374489 /nfs/dbraw/zinc/37/44/89/1415374489.db2.gz KHKUAJNSSPOJMP-GHMZBOCLSA-N 0 1 380.457 3.202 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177987509 1428918049 /nfs/dbraw/zinc/91/80/49/1428918049.db2.gz LZQVRKZMDIDXRP-UHFFFAOYSA-N 0 1 393.468 3.233 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1occc1-c1ccc(F)cc1 ZINC000126174549 1415376845 /nfs/dbraw/zinc/37/68/45/1415376845.db2.gz ZPMBOOYLJDJZDG-HXUWFJFHSA-N 0 1 394.446 3.235 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCN(CC2CC2)CC1 ZINC000126191242 1415380950 /nfs/dbraw/zinc/38/09/50/1415380950.db2.gz BGGRTMRDHJQRQP-KGLIPLIRSA-N 0 1 386.565 3.198 20 0 GGADMN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000126207767 1415384388 /nfs/dbraw/zinc/38/43/88/1415384388.db2.gz OQIVOXJDIXSOQR-UHFFFAOYSA-N 0 1 397.504 3.148 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(C)on2)CC1)C1CCCCC1 ZINC000126211973 1415385540 /nfs/dbraw/zinc/38/55/40/1415385540.db2.gz VWIAELGCKJVOPT-MRXNPFEDSA-N 0 1 390.528 3.203 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000126232395 1415389764 /nfs/dbraw/zinc/38/97/64/1415389764.db2.gz QSYNOEMDXIZQBA-XMMPIXPASA-N 0 1 389.543 3.188 20 0 GGADMN COCCOc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000177968784 1428907312 /nfs/dbraw/zinc/90/73/12/1428907312.db2.gz UBNVYFDMNNGGOQ-HNNXBMFYSA-N 0 1 397.924 3.490 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccc(F)cc1 ZINC000126241065 1415391914 /nfs/dbraw/zinc/39/19/14/1415391914.db2.gz GQGPZVXFNCPNLF-INIZCTEOSA-N 0 1 388.468 3.294 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000126263198 1415397638 /nfs/dbraw/zinc/39/76/38/1415397638.db2.gz UGWBGPSUODPNKW-OAHLLOKOSA-N 0 1 382.439 3.428 20 0 GGADMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000735632909 1428909443 /nfs/dbraw/zinc/90/94/43/1428909443.db2.gz ILANNCKUNAWRHH-UHFFFAOYSA-N 0 1 386.500 3.184 20 0 GGADMN COCCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(F)cc2)cc1OC ZINC000126279703 1415401461 /nfs/dbraw/zinc/40/14/61/1415401461.db2.gz VZWNGJSLPQXXIU-CQSZACIVSA-N 0 1 376.428 3.149 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CN1C1CC1 ZINC000126286565 1415404671 /nfs/dbraw/zinc/40/46/71/1415404671.db2.gz CSDWIFSZIHOLTQ-IUODEOHRSA-N 0 1 398.475 3.120 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@H](CO)c2ccccc2)N2CCCCC2)cc1 ZINC000126291028 1415406460 /nfs/dbraw/zinc/40/64/60/1415406460.db2.gz LAVZBACNSCFZCO-YADHBBJMSA-N 0 1 397.519 3.255 20 0 GGADMN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3cccc4cnccc43)cc2)o1 ZINC000126294088 1415408797 /nfs/dbraw/zinc/40/87/97/1415408797.db2.gz IPCJINYPHILBKL-UHFFFAOYSA-N 0 1 395.444 3.152 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000821599005 1428921461 /nfs/dbraw/zinc/92/14/61/1428921461.db2.gz BOZWXJRPXOIINB-CYBMUJFWSA-N 0 1 387.438 3.004 20 0 GGADMN CN(CC[C@H]1CCCC[N@@H+]1C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821599005 1428921465 /nfs/dbraw/zinc/92/14/65/1428921465.db2.gz BOZWXJRPXOIINB-CYBMUJFWSA-N 0 1 387.438 3.004 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000821599005 1428921469 /nfs/dbraw/zinc/92/14/69/1428921469.db2.gz BOZWXJRPXOIINB-CYBMUJFWSA-N 0 1 387.438 3.004 20 0 GGADMN COCc1ccccc1CNC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000126301094 1415411055 /nfs/dbraw/zinc/41/10/55/1415411055.db2.gz JSUYBQYDAXBBFA-UHFFFAOYSA-N 0 1 386.452 3.166 20 0 GGADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177979349 1428912451 /nfs/dbraw/zinc/91/24/51/1428912451.db2.gz LWAINUQOIBFTJY-UHFFFAOYSA-N 0 1 392.864 3.483 20 0 GGADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccnc(F)c1 ZINC000126314210 1415415595 /nfs/dbraw/zinc/41/55/95/1415415595.db2.gz SNKGKNZQQLFTTG-UHFFFAOYSA-N 0 1 395.412 3.474 20 0 GGADMN Oc1ccc(Br)c(CNC[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000126329038 1415419045 /nfs/dbraw/zinc/41/90/45/1415419045.db2.gz SJPGGLWJXSSXDW-LJQANCHMSA-N 0 1 391.309 3.318 20 0 GGADMN Oc1ccc(Br)c(CNC[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000126329286 1415419288 /nfs/dbraw/zinc/41/92/88/1415419288.db2.gz SJPGGLWJXSSXDW-IBGZPJMESA-N 0 1 391.309 3.318 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000126337487 1415421066 /nfs/dbraw/zinc/42/10/66/1415421066.db2.gz LUQHLYNOOTZXLL-FQEVSTJZSA-N 0 1 395.503 3.195 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000126340923 1415421923 /nfs/dbraw/zinc/42/19/23/1415421923.db2.gz UKVWPFHCHMUYAB-HNNXBMFYSA-N 0 1 389.521 3.222 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)N(C)C ZINC000126347562 1415422827 /nfs/dbraw/zinc/42/28/27/1415422827.db2.gz QHXGWNCYRHJSRH-GOSISDBHSA-N 0 1 375.494 3.075 20 0 GGADMN C[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000177982011 1428914304 /nfs/dbraw/zinc/91/43/04/1428914304.db2.gz WQFWWXUIPPDBJO-MRXNPFEDSA-N 0 1 379.460 3.273 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCC2(CC1)OCCO2 ZINC000126362684 1415426702 /nfs/dbraw/zinc/42/67/02/1415426702.db2.gz YKTGGITXUXQRCA-GOSISDBHSA-N 0 1 393.915 3.025 20 0 GGADMN CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccsc1 ZINC000126385814 1415432121 /nfs/dbraw/zinc/43/21/21/1415432121.db2.gz QFRPVTYQTFOWAX-SJORKVTESA-N 0 1 378.542 3.326 20 0 GGADMN CC[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736541451 1428929305 /nfs/dbraw/zinc/92/93/05/1428929305.db2.gz GMGMRCCPGCSITP-INIZCTEOSA-N 0 1 381.480 3.207 20 0 GGADMN CC[N@H+](CCOc1cccc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736541451 1428929308 /nfs/dbraw/zinc/92/93/08/1428929308.db2.gz GMGMRCCPGCSITP-INIZCTEOSA-N 0 1 381.480 3.207 20 0 GGADMN CC[N@@H+](CCOc1cccc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736541451 1428929309 /nfs/dbraw/zinc/92/93/09/1428929309.db2.gz GMGMRCCPGCSITP-INIZCTEOSA-N 0 1 381.480 3.207 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000126415956 1415445537 /nfs/dbraw/zinc/44/55/37/1415445537.db2.gz SYGDKWOBPSTWHV-ULQDDVLXSA-N 0 1 379.570 3.312 20 0 GGADMN CC[C@@H](CCO)CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000126418856 1415446958 /nfs/dbraw/zinc/44/69/58/1415446958.db2.gz FTRFTLIFQFDNLN-INIZCTEOSA-N 0 1 381.948 3.260 20 0 GGADMN O=C(C[C@H]1C(=O)Nc2ccccc21)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000126421930 1415448898 /nfs/dbraw/zinc/44/88/98/1415448898.db2.gz LQEWKKOXXGWXGG-LJQANCHMSA-N 0 1 381.451 3.032 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000126424772 1415449590 /nfs/dbraw/zinc/44/95/90/1415449590.db2.gz UUGAFOSZDITMDF-HXUWFJFHSA-N 0 1 382.508 3.406 20 0 GGADMN CCCN1CCCC[C@@H]1C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000126424772 1415449593 /nfs/dbraw/zinc/44/95/93/1415449593.db2.gz UUGAFOSZDITMDF-HXUWFJFHSA-N 0 1 382.508 3.406 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCc2cccnc2)N2CCCCC2)cc1 ZINC000126427013 1415450419 /nfs/dbraw/zinc/45/04/19/1415450419.db2.gz SWGKFSQLAUCSNK-NRFANRHFSA-N 0 1 382.508 3.159 20 0 GGADMN COc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 ZINC000126464489 1415460190 /nfs/dbraw/zinc/46/01/90/1415460190.db2.gz BEMWOHJYCGQJBM-MRXNPFEDSA-N 0 1 389.521 3.116 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CC1 ZINC000126465405 1415460569 /nfs/dbraw/zinc/46/05/69/1415460569.db2.gz ROCOGQCLARKLCT-UHFFFAOYSA-N 0 1 394.519 3.450 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000126484994 1415467506 /nfs/dbraw/zinc/46/75/06/1415467506.db2.gz PWVQCUSIGDFNQC-IAGOWNOFSA-N 0 1 392.503 3.311 20 0 GGADMN Cc1nc(C(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000177998179 1428923304 /nfs/dbraw/zinc/92/33/04/1428923304.db2.gz YBMURDDUZOPYQS-ZJUUUORDSA-N 0 1 399.421 3.047 20 0 GGADMN Cc1c([C@@H](C)NCCc2nnc3n2CCCCC3)nnn1-c1cccc(Cl)c1 ZINC000126516667 1415475556 /nfs/dbraw/zinc/47/55/56/1415475556.db2.gz NYPBRZUOALZDNJ-CQSZACIVSA-N 0 1 399.930 3.440 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000126531935 1415480674 /nfs/dbraw/zinc/48/06/74/1415480674.db2.gz PFOWGNXYFAVYPY-SFHVURJKSA-N 0 1 398.463 3.190 20 0 GGADMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000126534853 1415481215 /nfs/dbraw/zinc/48/12/15/1415481215.db2.gz ZBNUPZOLTGHKLH-HNAYVOBHSA-N 0 1 398.482 3.114 20 0 GGADMN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000126544267 1415485544 /nfs/dbraw/zinc/48/55/44/1415485544.db2.gz SRIDSSGLMVDFBW-UHFFFAOYSA-N 0 1 385.445 3.153 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)n[nH]2)cc1 ZINC000126562068 1415491289 /nfs/dbraw/zinc/49/12/89/1415491289.db2.gz FFHNXYIHDSTDIP-UHFFFAOYSA-N 0 1 380.492 3.250 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000126564900 1415492582 /nfs/dbraw/zinc/49/25/82/1415492582.db2.gz IDPASZGJAFCQLK-SFTDATJTSA-N 0 1 387.499 3.411 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(-n5cccn5)ccn4)C3)[nH]c2c1 ZINC000126571556 1415495804 /nfs/dbraw/zinc/49/58/04/1415495804.db2.gz RISKFODSANXXCU-MRXNPFEDSA-N 0 1 386.459 3.472 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc(-n5cccn5)n4)C3)[nH]c2c1 ZINC000126574231 1415497134 /nfs/dbraw/zinc/49/71/34/1415497134.db2.gz DBYPPAQTJJPNQZ-INIZCTEOSA-N 0 1 386.459 3.472 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000178014376 1428936573 /nfs/dbraw/zinc/93/65/73/1428936573.db2.gz XGQFUTRBFLVWBG-GOSISDBHSA-N 0 1 375.469 3.176 20 0 GGADMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000126594441 1415502523 /nfs/dbraw/zinc/50/25/23/1415502523.db2.gz BVJOGNNGSWMIFN-OAHLLOKOSA-N 0 1 377.554 3.371 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000126610870 1415507196 /nfs/dbraw/zinc/50/71/96/1415507196.db2.gz OLOPUZHHOVMDLI-HSZRJFAPSA-N 0 1 393.531 3.200 20 0 GGADMN Cc1ccc(OCCCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000126640442 1415514935 /nfs/dbraw/zinc/51/49/35/1415514935.db2.gz HMNBIFOSZWDHIY-SFHVURJKSA-N 0 1 394.943 3.378 20 0 GGADMN COC(=O)c1cc(CN(C)CCC(=O)N[C@H]2CCCc3ccccc32)oc1C ZINC000126649795 1415516998 /nfs/dbraw/zinc/51/69/98/1415516998.db2.gz AXOFKSOIXKWFSF-FQEVSTJZSA-N 0 1 384.476 3.390 20 0 GGADMN CCc1nn(C)c(CC)c1CNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000126696699 1415529275 /nfs/dbraw/zinc/52/92/75/1415529275.db2.gz JRAFKFSFQXLKMJ-UHFFFAOYSA-N 0 1 398.536 3.047 20 0 GGADMN O=c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c2ccc([O-])cc2o1 ZINC000126718896 1415538023 /nfs/dbraw/zinc/53/80/23/1415538023.db2.gz XRBFNXYUBNZVNF-OAHLLOKOSA-N 0 1 394.475 3.196 20 0 GGADMN O=c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c2ccc([O-])cc2o1 ZINC000126718896 1415538034 /nfs/dbraw/zinc/53/80/34/1415538034.db2.gz XRBFNXYUBNZVNF-OAHLLOKOSA-N 0 1 394.475 3.196 20 0 GGADMN O=C(c1cccc(F)c1)N1CCCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000126741678 1415544700 /nfs/dbraw/zinc/54/47/00/1415544700.db2.gz ARDFVFMQWIQQER-IBGZPJMESA-N 0 1 376.859 3.361 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C)CCc1nccs1)N1CCCC1 ZINC000126752840 1415548359 /nfs/dbraw/zinc/54/83/59/1415548359.db2.gz HMGLLSCEEIKAPQ-QGZVFWFLSA-N 0 1 388.537 3.173 20 0 GGADMN c1[nH]nc(-c2ccccc2)c1CNCc1ccccc1OCCN1CCOCC1 ZINC000126752614 1415548386 /nfs/dbraw/zinc/54/83/86/1415548386.db2.gz XSUFDKLJVWGALE-UHFFFAOYSA-N 0 1 392.503 3.078 20 0 GGADMN CN1CCCN(C(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000126759601 1415550898 /nfs/dbraw/zinc/55/08/98/1415550898.db2.gz XOZURBWJMHKOKP-UHFFFAOYSA-N 0 1 382.489 3.146 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C[C@@H]1CCOC1)C1CC1)N1CCCC1 ZINC000126761096 1415551533 /nfs/dbraw/zinc/55/15/33/1415551533.db2.gz IGEXXEBDSACLET-FXAWDEMLSA-N 0 1 387.524 3.043 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC(OC(C)=O)CC1)c1ccccc1Cl ZINC000126762006 1415551586 /nfs/dbraw/zinc/55/15/86/1415551586.db2.gz IUPXUNXXMZIMBE-IBGZPJMESA-N 0 1 395.931 3.460 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(CCO)Cc1ccccc1)N1CCCC1 ZINC000126767971 1415553209 /nfs/dbraw/zinc/55/32/09/1415553209.db2.gz YHCVCXQDMUQIKG-NRFANRHFSA-N 0 1 397.519 3.036 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cccc(C(N)=O)n1)c1ccccc1Cl ZINC000126781973 1415556797 /nfs/dbraw/zinc/55/67/97/1415556797.db2.gz NXYSNBOCNFENRW-MRXNPFEDSA-N 0 1 389.887 3.039 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1Cl ZINC000126785295 1415557778 /nfs/dbraw/zinc/55/77/78/1415557778.db2.gz FUQJFBIKSYLESE-SFHVURJKSA-N 0 1 395.931 3.271 20 0 GGADMN O=C(CCCc1c[nH]c2ccccc12)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126791333 1415560224 /nfs/dbraw/zinc/56/02/24/1415560224.db2.gz VGKWWISIHYYHNI-NHCUHLMSSA-N 0 1 391.515 3.242 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126804682 1415565420 /nfs/dbraw/zinc/56/54/20/1415565420.db2.gz MADZPZGCFDODOJ-UXHICEINSA-N 0 1 393.462 3.048 20 0 GGADMN C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000824427741 1428949324 /nfs/dbraw/zinc/94/93/24/1428949324.db2.gz NZHHEEQUHCGNOL-KBPBESRZSA-N 0 1 375.436 3.371 20 0 GGADMN CC(=O)Nc1cccc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000178038222 1428950209 /nfs/dbraw/zinc/95/02/09/1428950209.db2.gz LFSZRHNGRHNCFQ-UHFFFAOYSA-N 0 1 383.467 3.061 20 0 GGADMN Cc1ccc(-c2nc(C(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)cs2)o1 ZINC000126827668 1415573614 /nfs/dbraw/zinc/57/36/14/1415573614.db2.gz OHAQUJNMMOKRLU-SJORKVTESA-N 0 1 397.500 3.077 20 0 GGADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178042662 1428953288 /nfs/dbraw/zinc/95/32/88/1428953288.db2.gz YJEVTAPUKRVDDH-SFHLNBCPSA-N 0 1 385.552 3.166 20 0 GGADMN CN1CCO[C@@H]([C@H](NC(=O)c2n[nH]c3ccccc32)c2ccc(Cl)cc2)C1 ZINC000126879534 1415593765 /nfs/dbraw/zinc/59/37/65/1415593765.db2.gz MSKNHZIMHQUVCB-QZTJIDSGSA-N 0 1 384.867 3.018 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000126881865 1415593891 /nfs/dbraw/zinc/59/38/91/1415593891.db2.gz HTFFFCQVENTJCL-UHFFFAOYSA-N 0 1 380.460 3.049 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3ccc(Cl)nc3)CC2)cc1 ZINC000126886666 1415595240 /nfs/dbraw/zinc/59/52/40/1415595240.db2.gz SZUSFYWCWJMTBF-UHFFFAOYSA-N 0 1 388.899 3.161 20 0 GGADMN CN(CC1(O)CCCC1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126894703 1415597792 /nfs/dbraw/zinc/59/77/92/1415597792.db2.gz UDCWDALCZKBNPI-QGZVFWFLSA-N 0 1 399.457 3.226 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000126897377 1415598509 /nfs/dbraw/zinc/59/85/09/1415598509.db2.gz PHLWUKHDEMKVOQ-IAGOWNOFSA-N 0 1 397.500 3.077 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126897377 1415598517 /nfs/dbraw/zinc/59/85/17/1415598517.db2.gz PHLWUKHDEMKVOQ-IAGOWNOFSA-N 0 1 397.500 3.077 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126896746 1415598797 /nfs/dbraw/zinc/59/87/97/1415598797.db2.gz SAFQWKDTIDZDST-BMGDILEWSA-N 0 1 399.457 3.225 20 0 GGADMN CCc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)o1 ZINC000178046706 1428955769 /nfs/dbraw/zinc/95/57/69/1428955769.db2.gz GHUNKROXQBBTMQ-QAPCUYQASA-N 0 1 392.521 3.150 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(OCCS(C)(=O)=O)c3)[nH]n2)cc1 ZINC000126906168 1415602455 /nfs/dbraw/zinc/60/24/55/1415602455.db2.gz OZALEZDVEABFGL-UHFFFAOYSA-N 0 1 399.472 3.061 20 0 GGADMN O=C(NC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1)c1ccsc1 ZINC000126913270 1415604688 /nfs/dbraw/zinc/60/46/88/1415604688.db2.gz ZMSMTINIJRKBRD-UHFFFAOYSA-N 0 1 398.463 3.312 20 0 GGADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)c1ccccc1 ZINC000178049534 1428956542 /nfs/dbraw/zinc/95/65/42/1428956542.db2.gz DNTLJMRWBLVFGW-MRXNPFEDSA-N 0 1 392.455 3.141 20 0 GGADMN O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)c1ccccc1 ZINC000178049534 1428956544 /nfs/dbraw/zinc/95/65/44/1428956544.db2.gz DNTLJMRWBLVFGW-MRXNPFEDSA-N 0 1 392.455 3.141 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178051827 1428957478 /nfs/dbraw/zinc/95/74/78/1428957478.db2.gz WEDBFCGIKXQRRE-TZIWHRDSSA-N 0 1 393.531 3.142 20 0 GGADMN Fc1cc(-c2nnn[n-]2)cc(F)c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000737640472 1428957495 /nfs/dbraw/zinc/95/74/95/1428957495.db2.gz YHSUXXHFXQUQCJ-HNNXBMFYSA-N 0 1 384.434 3.121 20 0 GGADMN Fc1cc(-c2nn[n-]n2)cc(F)c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000737640472 1428957497 /nfs/dbraw/zinc/95/74/97/1428957497.db2.gz YHSUXXHFXQUQCJ-HNNXBMFYSA-N 0 1 384.434 3.121 20 0 GGADMN Fc1cc(-c2nn[n-]n2)cc(F)c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000737640472 1428957499 /nfs/dbraw/zinc/95/74/99/1428957499.db2.gz YHSUXXHFXQUQCJ-HNNXBMFYSA-N 0 1 384.434 3.121 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178054037 1428957806 /nfs/dbraw/zinc/95/78/06/1428957806.db2.gz ZAWCYCXGFXFNSQ-LJQANCHMSA-N 0 1 379.504 3.030 20 0 GGADMN CC(=O)c1ccccc1OCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178052745 1428957957 /nfs/dbraw/zinc/95/79/57/1428957957.db2.gz QGAGUXWDIRYVMY-IBGZPJMESA-N 0 1 380.488 3.410 20 0 GGADMN CC(C)(C)Oc1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000126939383 1415614127 /nfs/dbraw/zinc/61/41/27/1415614127.db2.gz RYLFPSJLBWSDIK-VQTJNVASSA-N 0 1 382.504 3.229 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000126970571 1415621480 /nfs/dbraw/zinc/62/14/80/1415621480.db2.gz BJCKZYKYNOXABP-CVEARBPZSA-N 0 1 396.384 3.210 20 0 GGADMN Cc1ccc2nc(C)c(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)cc2c1 ZINC000126968901 1415621510 /nfs/dbraw/zinc/62/15/10/1415621510.db2.gz RWEROXLXAWWQGA-SFTDATJTSA-N 0 1 389.499 3.217 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1occc1-c1ccccc1 ZINC000126979867 1415623391 /nfs/dbraw/zinc/62/33/91/1415623391.db2.gz LCPNQSYKGYPRBZ-UXHICEINSA-N 0 1 376.456 3.312 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178057343 1428960344 /nfs/dbraw/zinc/96/03/44/1428960344.db2.gz YHPFOJXULDLLIC-VQTJNVASSA-N 0 1 393.531 3.142 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(Cl)cc2cccnc21 ZINC000126986513 1415626959 /nfs/dbraw/zinc/62/69/59/1415626959.db2.gz PKESHKVCVMBNFV-MOPGFXCFSA-N 0 1 395.890 3.253 20 0 GGADMN COc1cc(N[C@H]2CCCN([C@@H](C(=O)N(C)C)c3ccccc3)C2)cc(OC)c1 ZINC000178058741 1428961118 /nfs/dbraw/zinc/96/11/18/1428961118.db2.gz DFXIYHJSFZKUNV-PGRDOPGGSA-N 0 1 397.519 3.410 20 0 GGADMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000127002069 1415632133 /nfs/dbraw/zinc/63/21/33/1415632133.db2.gz JHONJDAFAGNLHB-GJZGRUSLSA-N 0 1 383.558 3.406 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736231615 1428961716 /nfs/dbraw/zinc/96/17/16/1428961716.db2.gz YNXWZGCWYXBCBV-JOCHJYFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736231615 1428961718 /nfs/dbraw/zinc/96/17/18/1428961718.db2.gz YNXWZGCWYXBCBV-JOCHJYFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736231615 1428961719 /nfs/dbraw/zinc/96/17/19/1428961719.db2.gz YNXWZGCWYXBCBV-JOCHJYFZSA-N 0 1 390.491 3.249 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cn(C)nc2-c2ccncc2)C1 ZINC000127004261 1415632963 /nfs/dbraw/zinc/63/29/63/1415632963.db2.gz FCAGQZRJAITQLD-SFHVURJKSA-N 0 1 385.512 3.313 20 0 GGADMN Cc1cc2cc(C(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)oc2cc1C ZINC000127016875 1415637962 /nfs/dbraw/zinc/63/79/62/1415637962.db2.gz RENFWNBGWCVZBO-UXHICEINSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1cc2cc(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)oc2cc1C ZINC000127017338 1415638060 /nfs/dbraw/zinc/63/80/60/1415638060.db2.gz RENFWNBGWCVZBO-WOJBJXKFSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000127016160 1415638068 /nfs/dbraw/zinc/63/80/68/1415638068.db2.gz LOOOTAQMFAYBES-VQTJNVASSA-N 0 1 391.471 3.015 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127016160 1415638075 /nfs/dbraw/zinc/63/80/75/1415638075.db2.gz LOOOTAQMFAYBES-VQTJNVASSA-N 0 1 391.471 3.015 20 0 GGADMN NC(=O)c1ccccc1Oc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000178070585 1428968814 /nfs/dbraw/zinc/96/88/14/1428968814.db2.gz ZEKUNAZPBPTRGV-UHFFFAOYSA-N 0 1 394.475 3.137 20 0 GGADMN COc1cc(CN2CCc3ccsc3C2)ccc1OCC(=O)N1CCCC1 ZINC000127053368 1415649170 /nfs/dbraw/zinc/64/91/70/1415649170.db2.gz UYHPJRVWOCCGHR-UHFFFAOYSA-N 0 1 386.517 3.316 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000127054342 1415649273 /nfs/dbraw/zinc/64/92/73/1415649273.db2.gz FOIAGADFSZHSKZ-MSOLQXFVSA-N 0 1 384.863 3.451 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000127061830 1415650476 /nfs/dbraw/zinc/65/04/76/1415650476.db2.gz RYKIJUFNCGVJJN-WOJBJXKFSA-N 0 1 394.446 3.451 20 0 GGADMN COc1ccc(Br)c(CNc2ccc(N3CCN(C)CC3)cn2)c1 ZINC000127064813 1415651370 /nfs/dbraw/zinc/65/13/70/1415651370.db2.gz SWCYEDUPSCLTSP-UHFFFAOYSA-N 0 1 391.313 3.217 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3c[nH]nc3-c3ccccc3F)c2)CC1 ZINC000127066452 1415652304 /nfs/dbraw/zinc/65/23/04/1415652304.db2.gz ONAMVEDPKNGNIV-UHFFFAOYSA-N 0 1 393.466 3.216 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349823 1428970356 /nfs/dbraw/zinc/97/03/56/1428970356.db2.gz VYCSURYEORCFEY-LLVKDONJSA-N 0 1 382.493 3.103 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349823 1428970358 /nfs/dbraw/zinc/97/03/58/1428970358.db2.gz VYCSURYEORCFEY-LLVKDONJSA-N 0 1 382.493 3.103 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2nc(-c3ccco3)n[nH]2)s1 ZINC000127087291 1415658532 /nfs/dbraw/zinc/65/85/32/1415658532.db2.gz OSGLKUOKNTVOOU-UHFFFAOYSA-N 0 1 386.433 3.386 20 0 GGADMN CC(C)[C@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000127100977 1415660803 /nfs/dbraw/zinc/66/08/03/1415660803.db2.gz UCTFHOYEKDRKFA-INIZCTEOSA-N 0 1 391.865 3.361 20 0 GGADMN CCCOc1ccc(CCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127106043 1415661136 /nfs/dbraw/zinc/66/11/36/1415661136.db2.gz OIJNGOGMLQBJGG-VXKWHMMOSA-N 0 1 396.531 3.160 20 0 GGADMN Cn1ccnc1[C@H](O)C1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000127105750 1415661333 /nfs/dbraw/zinc/66/13/33/1415661333.db2.gz ATXIDJFWKPJOLJ-LJQANCHMSA-N 0 1 385.899 3.205 20 0 GGADMN Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127109308 1415662413 /nfs/dbraw/zinc/66/24/13/1415662413.db2.gz NAEOBQMJJVPWDO-RTBURBONSA-N 0 1 377.488 3.150 20 0 GGADMN COC(=O)c1sc(NC(=O)c2cc(F)cc3[nH]cnc32)nc1C(C)(C)C ZINC000127119127 1415664065 /nfs/dbraw/zinc/66/40/65/1415664065.db2.gz IYRXPCFMHPXCPO-UHFFFAOYSA-N 0 1 376.413 3.495 20 0 GGADMN CCN(CC)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cn1 ZINC000127133608 1415667593 /nfs/dbraw/zinc/66/75/93/1415667593.db2.gz DRSCNAFTLKLOSK-LJQANCHMSA-N 0 1 387.503 3.169 20 0 GGADMN CCC(CC)(CO)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000127136242 1415668104 /nfs/dbraw/zinc/66/81/04/1415668104.db2.gz JIGCWBMHSSNMKH-UHFFFAOYSA-N 0 1 381.948 3.402 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC000127156826 1415674317 /nfs/dbraw/zinc/67/43/17/1415674317.db2.gz IETALPMRXSJUCS-HZPDHXFCSA-N 0 1 399.541 3.237 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC000127157074 1415674363 /nfs/dbraw/zinc/67/43/63/1415674363.db2.gz IETALPMRXSJUCS-CVEARBPZSA-N 0 1 399.541 3.237 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000127158382 1415674784 /nfs/dbraw/zinc/67/47/84/1415674784.db2.gz FUSUIIWGTVQZQD-QZTJIDSGSA-N 0 1 378.394 3.071 20 0 GGADMN O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178083702 1428974349 /nfs/dbraw/zinc/97/43/49/1428974349.db2.gz GQLNDZOYNHGHAW-MRXNPFEDSA-N 0 1 386.442 3.426 20 0 GGADMN CC[C@H](CNC(=O)c1cc(-c2ccncc2)on1)N1CCc2ccccc2C1 ZINC000127166600 1415676949 /nfs/dbraw/zinc/67/69/49/1415676949.db2.gz PIQIPKPIFPIEOP-LJQANCHMSA-N 0 1 376.460 3.303 20 0 GGADMN O=C(CCCc1ccc(Cl)cc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127168636 1415677186 /nfs/dbraw/zinc/67/71/86/1415677186.db2.gz KXBPOYJXGJCXIQ-RTWAWAEBSA-N 0 1 386.923 3.414 20 0 GGADMN C[C@@H](O)C[C@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccccc1 ZINC000127183487 1415680428 /nfs/dbraw/zinc/68/04/28/1415680428.db2.gz VHTRJRURSPCWHZ-UYAOXDASSA-N 0 1 396.535 3.115 20 0 GGADMN CC[C@H](Sc1ccccc1)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127187203 1415681745 /nfs/dbraw/zinc/68/17/45/1415681745.db2.gz GFJIRQNSFVVGGT-ZJOUEHCJSA-N 0 1 384.545 3.309 20 0 GGADMN CC1CCN(CC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000127202397 1415685252 /nfs/dbraw/zinc/68/52/52/1415685252.db2.gz QYGSUJMOJYZSRN-UHFFFAOYSA-N 0 1 383.467 3.426 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000127205913 1415686605 /nfs/dbraw/zinc/68/66/05/1415686605.db2.gz WEKMYOLOXSINHK-DHIUTWEWSA-N 0 1 393.531 3.042 20 0 GGADMN CC[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000178061066 1428962933 /nfs/dbraw/zinc/96/29/33/1428962933.db2.gz VBTASGGGAQNEQF-ZRBLBEILSA-N 0 1 395.547 3.085 20 0 GGADMN CC(C)(C)O[C@H](C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1 ZINC000127209946 1415687329 /nfs/dbraw/zinc/68/73/29/1415687329.db2.gz RPHGVVKFLVUSCF-FKBYEOEOSA-N 0 1 396.531 3.294 20 0 GGADMN CC[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000178061032 1428963082 /nfs/dbraw/zinc/96/30/82/1428963082.db2.gz VBTASGGGAQNEQF-VABKMULXSA-N 0 1 395.547 3.085 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825980558 1428963096 /nfs/dbraw/zinc/96/30/96/1428963096.db2.gz FGGAZZPLMZACNN-UHFFFAOYSA-N 0 1 397.458 3.038 20 0 GGADMN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825980558 1428963099 /nfs/dbraw/zinc/96/30/99/1428963099.db2.gz FGGAZZPLMZACNN-UHFFFAOYSA-N 0 1 397.458 3.038 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825980558 1428963104 /nfs/dbraw/zinc/96/31/04/1428963104.db2.gz FGGAZZPLMZACNN-UHFFFAOYSA-N 0 1 397.458 3.038 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000127216889 1415690314 /nfs/dbraw/zinc/69/03/14/1415690314.db2.gz VASURMKKENURRS-KRWDZBQOSA-N 0 1 383.330 3.061 20 0 GGADMN CC[C@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000127220865 1415692389 /nfs/dbraw/zinc/69/23/89/1415692389.db2.gz QAFBCFOECOTMTI-FQEVSTJZSA-N 0 1 380.492 3.314 20 0 GGADMN O=C(CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)NCCC1CCCCC1 ZINC000178062719 1428963944 /nfs/dbraw/zinc/96/39/44/1428963944.db2.gz DBTFUHIZOREBSN-FQEVSTJZSA-N 0 1 385.552 3.215 20 0 GGADMN CCCCCNC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000127235728 1415699171 /nfs/dbraw/zinc/69/91/71/1415699171.db2.gz AZHKYNSFUWVSQW-UHFFFAOYSA-N 0 1 377.448 3.384 20 0 GGADMN CCCCCNC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000127235728 1415699180 /nfs/dbraw/zinc/69/91/80/1415699180.db2.gz AZHKYNSFUWVSQW-UHFFFAOYSA-N 0 1 377.448 3.384 20 0 GGADMN O=C(CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)NC1CCCCCCC1 ZINC000178064280 1428965670 /nfs/dbraw/zinc/96/56/70/1428965670.db2.gz WJQKKZNZBYSVDN-IBGZPJMESA-N 0 1 385.552 3.358 20 0 GGADMN CCc1cc(N2CCC[C@@H](NCc3cc(O)ccc3Br)C2)ncn1 ZINC000127252729 1415704098 /nfs/dbraw/zinc/70/40/98/1415704098.db2.gz JHCUJTWEPQNRTC-OAHLLOKOSA-N 0 1 391.313 3.266 20 0 GGADMN CCc1cc(N2CCC[C@H](NCc3cc(O)ccc3Br)C2)ncn1 ZINC000127252462 1415704142 /nfs/dbraw/zinc/70/41/42/1415704142.db2.gz JHCUJTWEPQNRTC-HNNXBMFYSA-N 0 1 391.313 3.266 20 0 GGADMN O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178091943 1428978095 /nfs/dbraw/zinc/97/80/95/1428978095.db2.gz DWXPBXSBIUDQSK-CQSZACIVSA-N 0 1 391.924 3.258 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000826167772 1428978114 /nfs/dbraw/zinc/97/81/14/1428978114.db2.gz QNFZOXJTVKVDIF-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000826167772 1428978117 /nfs/dbraw/zinc/97/81/17/1428978117.db2.gz QNFZOXJTVKVDIF-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN O=C(NCc1ccc(O)cc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000127267245 1415710642 /nfs/dbraw/zinc/71/06/42/1415710642.db2.gz YNKPBUWLUGGVHR-LJQANCHMSA-N 0 1 378.394 3.463 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc2[nH]c(=O)oc21 ZINC000127271009 1415711211 /nfs/dbraw/zinc/71/12/11/1415711211.db2.gz HURUXOJOJVSSII-UHFFFAOYSA-N 0 1 399.878 3.417 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000127273604 1415712670 /nfs/dbraw/zinc/71/26/70/1415712670.db2.gz XFQJDUKKVYVMNI-AEFFLSMTSA-N 0 1 388.899 3.048 20 0 GGADMN Cc1nc(-c2ccco2)ccc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127273235 1415712973 /nfs/dbraw/zinc/71/29/73/1415712973.db2.gz KDRMENIUJBEHBO-RTBURBONSA-N 0 1 391.471 3.015 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCc1ccc(Cl)nc1 ZINC000178095562 1428979504 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3.181 20 0 GGADMN CCOC(=O)CSc1cncc(NC[C@H](C)N2CCc3sccc3C2)n1 ZINC000178143872 1428997376 /nfs/dbraw/zinc/99/73/76/1428997376.db2.gz JEHXHSJSPCWUNG-ZDUSSCGKSA-N 0 1 392.550 3.052 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC(C)(c2ccccc2)CC1)N1CCN(C)CC1 ZINC000127516906 1415803693 /nfs/dbraw/zinc/80/36/93/1415803693.db2.gz IPQPRTRNQMMRAA-OAQYLSRUSA-N 0 1 386.584 3.022 20 0 GGADMN O=C1NCCN1C1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000127558191 1415809747 /nfs/dbraw/zinc/80/97/47/1415809747.db2.gz JYUOXQUDSINTLM-UHFFFAOYSA-N 0 1 393.535 3.215 20 0 GGADMN COc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1OCCC(C)C ZINC000127560293 1415810268 /nfs/dbraw/zinc/81/02/68/1415810268.db2.gz OLIRMAFBFNBXED-UHFFFAOYSA-N 0 1 375.513 3.110 20 0 GGADMN CCc1c(NC(=O)NCCN(C)Cc2ccc(F)cc2)cnn1CC(C)C ZINC000127582054 1415813553 /nfs/dbraw/zinc/81/35/53/1415813553.db2.gz YRZJVBYRNNHSSS-UHFFFAOYSA-N 0 1 375.492 3.494 20 0 GGADMN CCC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)C1 ZINC000127603908 1415818047 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O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000127659733 1415828016 /nfs/dbraw/zinc/82/80/16/1415828016.db2.gz SDIAVLBFTZXLEM-IIDMSEBBSA-N 0 1 395.906 3.089 20 0 GGADMN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000127659480 1415828166 /nfs/dbraw/zinc/82/81/66/1415828166.db2.gz SDIAVLBFTZXLEM-VKJFTORMSA-N 0 1 395.906 3.089 20 0 GGADMN CCCOc1ccc(CN2CCC(N3CCNC3=O)CC2)c(OCCC)c1 ZINC000127662339 1415828769 /nfs/dbraw/zinc/82/87/69/1415828769.db2.gz JXPOYZVXHNWBHI-UHFFFAOYSA-N 0 1 375.513 3.254 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736400169 1429002914 /nfs/dbraw/zinc/00/29/14/1429002914.db2.gz MQKGQTRKASLAPZ-CYBMUJFWSA-N 0 1 387.438 3.370 20 0 GGADMN CC[C@@H]1CCCC[N@@H+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736400169 1429002917 /nfs/dbraw/zinc/00/29/17/1429002917.db2.gz MQKGQTRKASLAPZ-CYBMUJFWSA-N 0 1 387.438 3.370 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736400169 1429002918 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0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000127827778 1415858531 /nfs/dbraw/zinc/85/85/31/1415858531.db2.gz MCRDXLUTFVQVPA-UTKZUKDTSA-N 0 1 396.539 3.058 20 0 GGADMN CCc1nc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)n[nH]1 ZINC000127840431 1415860931 /nfs/dbraw/zinc/86/09/31/1415860931.db2.gz MIGMASLRZGLLLW-GFCCVEGCSA-N 0 1 399.476 3.009 20 0 GGADMN CCc1n[nH]c(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)n1 ZINC000127840431 1415860934 /nfs/dbraw/zinc/86/09/34/1415860934.db2.gz MIGMASLRZGLLLW-GFCCVEGCSA-N 0 1 399.476 3.009 20 0 GGADMN CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)n[nH]1 ZINC000127840262 1415860996 /nfs/dbraw/zinc/86/09/96/1415860996.db2.gz MIGMASLRZGLLLW-LBPRGKRZSA-N 0 1 399.476 3.009 20 0 GGADMN CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)n1 ZINC000127840262 1415860997 /nfs/dbraw/zinc/86/09/97/1415860997.db2.gz MIGMASLRZGLLLW-LBPRGKRZSA-N 0 1 399.476 3.009 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000127850756 1415863137 /nfs/dbraw/zinc/86/31/37/1415863137.db2.gz GUAAEZDSTQVKBZ-ZBEGNZNMSA-N 0 1 392.912 3.160 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4oc(=O)n(C)c4c3)[nH]2)c1 ZINC000127853044 1415863531 /nfs/dbraw/zinc/86/35/31/1415863531.db2.gz HKFLBXZXINATLE-UHFFFAOYSA-N 0 1 378.388 3.091 20 0 GGADMN CCC1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 ZINC000178182671 1429010987 /nfs/dbraw/zinc/01/09/87/1429010987.db2.gz LZAKNDIQGIIHDC-UHFFFAOYSA-N 0 1 388.489 3.416 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CNC(=O)Cc3cccc4ccccc43)n2)cc1 ZINC000127887961 1415870377 /nfs/dbraw/zinc/87/03/77/1415870377.db2.gz ZWAHOGZPPDUIFM-UHFFFAOYSA-N 0 1 399.454 3.231 20 0 GGADMN O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)C1[C@@H]2CCC[C@H]12 ZINC000178187453 1429012592 /nfs/dbraw/zinc/01/25/92/1429012592.db2.gz XRGKMVSASYLWOK-DETIRCLXSA-N 0 1 390.531 3.431 20 0 GGADMN CCCC(=O)N1CCC(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000127935987 1415878052 /nfs/dbraw/zinc/87/80/52/1415878052.db2.gz FFYYAVBLCPNXKV-SFHVURJKSA-N 0 1 395.507 3.174 20 0 GGADMN CCCC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000127935987 1415878056 /nfs/dbraw/zinc/87/80/56/1415878056.db2.gz FFYYAVBLCPNXKV-SFHVURJKSA-N 0 1 395.507 3.174 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2nc(C)ccc2OC)N2CCCC2)cc1 ZINC000127982279 1415888096 /nfs/dbraw/zinc/88/80/96/1415888096.db2.gz CSTANEHPHDTTCB-GOSISDBHSA-N 0 1 384.480 3.366 20 0 GGADMN COc1ccc(OC)c([C@H](O)CNCc2cc(Br)ccc2F)c1 ZINC000128032776 1415897028 /nfs/dbraw/zinc/89/70/28/1415897028.db2.gz SXCKCHVPJFXRBE-MRXNPFEDSA-N 0 1 384.245 3.429 20 0 GGADMN CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000128050568 1415901274 /nfs/dbraw/zinc/90/12/74/1415901274.db2.gz UZGFRWYLTQFKOD-UNMCSNQZSA-N 0 1 382.479 3.354 20 0 GGADMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000128049915 1415901372 /nfs/dbraw/zinc/90/13/72/1415901372.db2.gz UZGFRWYLTQFKOD-IFMALSPDSA-N 0 1 382.479 3.354 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000128062597 1415903935 /nfs/dbraw/zinc/90/39/35/1415903935.db2.gz NQCRAPGKQRDMFF-QGZVFWFLSA-N 0 1 383.492 3.051 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)NCc1cccc(OCC(F)(F)F)c1 ZINC000128107816 1415913890 /nfs/dbraw/zinc/91/38/90/1415913890.db2.gz JGIISGHJWSHJOU-UHFFFAOYSA-N 0 1 386.399 3.032 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)NCc1cccc(OCC(F)(F)F)c1 ZINC000128107816 1415913893 /nfs/dbraw/zinc/91/38/93/1415913893.db2.gz JGIISGHJWSHJOU-UHFFFAOYSA-N 0 1 386.399 3.032 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CCN1CCOC ZINC000128120062 1415917324 /nfs/dbraw/zinc/91/73/24/1415917324.db2.gz IUXLQXVRDDNHGU-MRXNPFEDSA-N 0 1 376.526 3.020 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccnc(Br)c2)N2CCCC2)o1 ZINC000128128093 1415919564 /nfs/dbraw/zinc/91/95/64/1415919564.db2.gz PHQZFUIHOMIQTD-AWEZNQCLSA-N 0 1 378.270 3.312 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)[nH]c2c1 ZINC000128132698 1415920749 /nfs/dbraw/zinc/92/07/49/1415920749.db2.gz WDGXYVZBAGCJRS-BEFAXECRSA-N 0 1 392.459 3.177 20 0 GGADMN O=CN1CCc2cc(C(=O)CSc3nc(-c4ccccc4F)n[nH]3)ccc21 ZINC000128136776 1415922121 /nfs/dbraw/zinc/92/21/21/1415922121.db2.gz OZELWMOJTWILOY-UHFFFAOYSA-N 0 1 382.420 3.105 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000128156381 1415927739 /nfs/dbraw/zinc/92/77/39/1415927739.db2.gz YOLLMITWAWDJNS-HXUWFJFHSA-N 0 1 395.503 3.195 20 0 GGADMN O=C(NCCc1ccc(-c2ccccc2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178245906 1429030747 /nfs/dbraw/zinc/03/07/47/1429030747.db2.gz PLNXXDWLJWKOKQ-NRFANRHFSA-N 0 1 393.531 3.260 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(OCCO)cc2C(F)(F)F)cc1F ZINC000128183137 1415933410 /nfs/dbraw/zinc/93/34/10/1415933410.db2.gz UFXZPINLULWUHJ-UHFFFAOYSA-N 0 1 393.358 3.325 20 0 GGADMN CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000128200818 1415937472 /nfs/dbraw/zinc/93/74/72/1415937472.db2.gz FEWSQIUZWRJCMT-MRXNPFEDSA-N 0 1 392.912 3.162 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc3cccnc32)CN1Cc1ccccc1 ZINC000128202825 1415938052 /nfs/dbraw/zinc/93/80/52/1415938052.db2.gz NXSLKDBXSLIAHX-UWJYYQICSA-N 0 1 395.528 3.317 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc3cccnc32)CN1Cc1ccccc1 ZINC000128203080 1415938063 /nfs/dbraw/zinc/93/80/63/1415938063.db2.gz NXSLKDBXSLIAHX-DYESRHJHSA-N 0 1 395.528 3.317 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(O)(C(F)(F)F)CC1 ZINC000128221255 1415942778 /nfs/dbraw/zinc/94/27/78/1415942778.db2.gz RAXKHQUNAGJAFH-MRXNPFEDSA-N 0 1 389.458 3.421 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000128245305 1415947300 /nfs/dbraw/zinc/94/73/00/1415947300.db2.gz BNJGZTVOXZPDKQ-OAHLLOKOSA-N 0 1 394.516 3.019 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCC[C@H]1c1ccncc1 ZINC000128249041 1415947925 /nfs/dbraw/zinc/94/79/25/1415947925.db2.gz QQZALWYUOGCRNA-QFIPXVFZSA-N 0 1 393.535 3.140 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1 ZINC000128272007 1415951855 /nfs/dbraw/zinc/95/18/55/1415951855.db2.gz GDXFENWAFATEBF-UHFFFAOYSA-N 0 1 386.839 3.470 20 0 GGADMN Cn1cnc(-c2cccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)c2)n1 ZINC000128284000 1415954143 /nfs/dbraw/zinc/95/41/43/1415954143.db2.gz JQIKHPXQFYEAMA-HXUWFJFHSA-N 0 1 375.476 3.475 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)N1CCCC1 ZINC000128301922 1415957937 /nfs/dbraw/zinc/95/79/37/1415957937.db2.gz PITKNYZYIDHWSX-MDZRGWNJSA-N 0 1 375.513 3.087 20 0 GGADMN O=S(=O)(Cc1ccccc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000128303144 1415958017 /nfs/dbraw/zinc/95/80/17/1415958017.db2.gz KJLOTZSIVCDLGN-HNNXBMFYSA-N 0 1 396.394 3.033 20 0 GGADMN CCc1ccc(C2=CC[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825704285 1429023786 /nfs/dbraw/zinc/02/37/86/1429023786.db2.gz GAIHEKDAONNOKA-NRFANRHFSA-N 0 1 375.476 3.252 20 0 GGADMN C[C@@H]1CCCCN1C(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000128321432 1415961892 /nfs/dbraw/zinc/96/18/92/1415961892.db2.gz PHEPANRJFKIRTG-QGZVFWFLSA-N 0 1 386.515 3.492 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@H]1CC1(Cl)Cl ZINC000128327102 1415963716 /nfs/dbraw/zinc/96/37/16/1415963716.db2.gz PBEAIGVIMKWSEP-RKDXNWHRSA-N 0 1 375.639 3.498 20 0 GGADMN COc1ccc2c(c1)C[C@H](C(=O)Nc1cccc(CN3CCSCC3)c1)CO2 ZINC000128343743 1415966932 /nfs/dbraw/zinc/96/69/32/1415966932.db2.gz MXAYYXDZLNMXGM-SFHVURJKSA-N 0 1 398.528 3.434 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cccnc1-n1cccn1 ZINC000128345205 1415967043 /nfs/dbraw/zinc/96/70/43/1415967043.db2.gz ATZSCEYGLZIKTC-UHFFFAOYSA-N 0 1 379.489 3.068 20 0 GGADMN Cc1ccc(-n2cc(C(=O)Nc3cccc(CN4CCSCC4)c3)nn2)cc1 ZINC000128342756 1415967141 /nfs/dbraw/zinc/96/71/41/1415967141.db2.gz BUVVQRNDBGSSTM-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000128372793 1415973459 /nfs/dbraw/zinc/97/34/59/1415973459.db2.gz GYQGXQMOJKRGLN-UHFFFAOYSA-N 0 1 396.491 3.121 20 0 GGADMN O=C(Cn1cc(C2CC2)nn1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000128397277 1415978794 /nfs/dbraw/zinc/97/87/94/1415978794.db2.gz CYGUIROEZGQBNF-UHFFFAOYSA-N 0 1 385.431 3.246 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000178249937 1429033172 /nfs/dbraw/zinc/03/31/72/1429033172.db2.gz REVPRFMSDLTCAM-LBPRGKRZSA-N 0 1 375.375 3.211 20 0 GGADMN COc1ccc(CN(C)C(=O)CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000128474443 1415995493 /nfs/dbraw/zinc/99/54/93/1415995493.db2.gz OVFUKPYAPBRNMQ-UHFFFAOYSA-N 0 1 396.531 3.377 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826202537 1429036882 /nfs/dbraw/zinc/03/68/82/1429036882.db2.gz CTRHPMOPHWWECD-UHFFFAOYSA-N 0 1 395.797 3.420 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N(CCCCO)C1CC1 ZINC000128519492 1416004447 /nfs/dbraw/zinc/00/44/47/1416004447.db2.gz RINUHZLCELJIPI-QGZVFWFLSA-N 0 1 399.457 3.226 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn32)cc1 ZINC000128526859 1416006353 /nfs/dbraw/zinc/00/63/53/1416006353.db2.gz QCYKINKTHMDPED-UHFFFAOYSA-N 0 1 380.429 3.206 20 0 GGADMN O=S(=O)(Nc1c(-c2ccncc2)nc2ccccn21)c1ccc2c(c1)CCO2 ZINC000128528460 1416006537 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GGADMN O=C(Cc1cccc(OC(F)(F)F)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000178597197 1429117451 /nfs/dbraw/zinc/11/74/51/1429117451.db2.gz KCYLNMJYPYAHDZ-UHFFFAOYSA-N 0 1 393.409 3.304 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cc(F)ccc1Cl ZINC000132002123 1416670943 /nfs/dbraw/zinc/67/09/43/1416670943.db2.gz XWGWNVNUHACQOY-HZPDHXFCSA-N 0 1 377.847 3.236 20 0 GGADMN C[C@H](CNC(=O)/C=C/SCc1ccco1)N1CCN(c2ccccc2)CC1 ZINC000132016954 1416675188 /nfs/dbraw/zinc/67/51/88/1416675188.db2.gz WJQYJOGUZFVDDQ-IKFRKZOMSA-N 0 1 385.533 3.353 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)Nc2ccccc2N2CCN(C)CC2)o1 ZINC000132032380 1416679011 /nfs/dbraw/zinc/67/90/11/1416679011.db2.gz VJTJZZJGSWEOML-GOSISDBHSA-N 0 1 386.496 3.103 20 0 GGADMN Cc1cc2cc(NC(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)ccc2[nH]1 ZINC000132036029 1416679860 /nfs/dbraw/zinc/67/98/60/1416679860.db2.gz SGKJSVSUCLPWRI-UXHICEINSA-N 0 1 378.476 3.233 20 0 GGADMN Cc1cnc([C@@H](NC(=O)Nc2ccccc2N2CCN(C)CC2)C2CC2)s1 ZINC000132038482 1416680436 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CCCNC(=O)C1(NCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CCCCC1 ZINC000132298915 1416731352 /nfs/dbraw/zinc/73/13/52/1416731352.db2.gz VXTVUSDRAPQCNS-INIZCTEOSA-N 0 1 377.504 3.164 20 0 GGADMN Cc1ccc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)c(OC(C)C)c1 ZINC000132347813 1416741821 /nfs/dbraw/zinc/74/18/21/1416741821.db2.gz ZYZZZRYQCJWMHQ-LJQANCHMSA-N 0 1 389.540 3.036 20 0 GGADMN Cc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)c(OC(C)C)c1 ZINC000132366094 1416746282 /nfs/dbraw/zinc/74/62/82/1416746282.db2.gz LHDCMVVKMIPOEJ-UHFFFAOYSA-N 0 1 389.540 3.036 20 0 GGADMN CNC(=O)c1cccc(CN2CCC(Nc3cc(OC)cc(OC)c3)CC2)c1 ZINC000132371604 1416747272 /nfs/dbraw/zinc/74/72/72/1416747272.db2.gz VBDCXPRZHHKBEN-UHFFFAOYSA-N 0 1 383.492 3.140 20 0 GGADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(=O)N[C@H]1C=CCCC1 ZINC000132370942 1416747516 /nfs/dbraw/zinc/74/75/16/1416747516.db2.gz FHDSEAQQSPVDST-KRWDZBQOSA-N 0 1 387.443 3.302 20 0 GGADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)N[C@H]1C=CCCC1 ZINC000132370942 1416747519 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Cc1ncsc1CN[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000132472581 1416768637 /nfs/dbraw/zinc/76/86/37/1416768637.db2.gz AIQZYXLVGYWPST-ZDUSSCGKSA-N 0 1 391.518 3.374 20 0 GGADMN C[C@H](NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000132499504 1416773439 /nfs/dbraw/zinc/77/34/39/1416773439.db2.gz KNZYNDWWXYVJIN-HNNXBMFYSA-N 0 1 394.924 3.212 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N2CCN(C)C[C@@H]2C(C)C)n(-c2ccccc2)n1 ZINC000132507174 1416774939 /nfs/dbraw/zinc/77/49/39/1416774939.db2.gz CJZCVBFITVEGBE-LAUBAEHRSA-N 0 1 383.540 3.093 20 0 GGADMN FC(F)(F)c1cnc2c(c1)[C@@H](NCc1cccnc1N1CCOCC1)CCC2 ZINC000132504503 1416775268 /nfs/dbraw/zinc/77/52/68/1416775268.db2.gz RCWHOKVLUKDGOC-KRWDZBQOSA-N 0 1 392.425 3.499 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000132523182 1416777097 /nfs/dbraw/zinc/77/70/97/1416777097.db2.gz INMMBIUKGBNKBP-JXFKEZNVSA-N 0 1 387.499 3.241 20 0 GGADMN C[C@@H](O)C[C@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000132523799 1416777319 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C[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1Cl ZINC000132747319 1416810799 /nfs/dbraw/zinc/81/07/99/1416810799.db2.gz GZHOQCPFZAQSAT-AWEZNQCLSA-N 0 1 383.895 3.294 20 0 GGADMN CCc1c(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)[nH]nc1-c1ccncc1 ZINC000132752460 1416811308 /nfs/dbraw/zinc/81/13/08/1416811308.db2.gz OLEIHMPFJNIHKG-MRXNPFEDSA-N 0 1 398.511 3.050 20 0 GGADMN CCOCCOCc1cccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000132767475 1416812687 /nfs/dbraw/zinc/81/26/87/1416812687.db2.gz UTBIYUAJVIAEFN-UHFFFAOYSA-N 0 1 397.479 3.232 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cc(F)cc(Cl)c1 ZINC000132771818 1416813327 /nfs/dbraw/zinc/81/33/27/1416813327.db2.gz CJIYHOCXGZBVQS-QZTJIDSGSA-N 0 1 377.847 3.236 20 0 GGADMN NC(=O)c1ccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cn1 ZINC000132790495 1416815314 /nfs/dbraw/zinc/81/53/14/1416815314.db2.gz YCIOWICERYUQRQ-UHFFFAOYSA-N 0 1 375.363 3.115 20 0 GGADMN CCCCNC(=O)C1(NCC(=O)Nc2cc(C)nn2C(C)(C)C)CCCCC1 ZINC000132794845 1416815686 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C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2)CCO1 ZINC000135328554 1417208203 /nfs/dbraw/zinc/20/82/03/1417208203.db2.gz UHOKFPUUCOWYGT-NSHDSACASA-N 0 1 386.395 3.130 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCCCO3)cc1F ZINC000135330013 1417208461 /nfs/dbraw/zinc/20/84/61/1417208461.db2.gz GZCIFOQVJRBEOC-UHFFFAOYSA-N 0 1 387.455 3.048 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(Oc2cnccn2)c1)c1cccc(F)c1 ZINC000135350222 1417210508 /nfs/dbraw/zinc/21/05/08/1417210508.db2.gz ROLDFBQGWMDZFX-LJQANCHMSA-N 0 1 380.423 3.441 20 0 GGADMN O=C(c1cccc(Oc2nccs2)c1)N1CCC(CN2CCOCC2)CC1 ZINC000135384997 1417213592 /nfs/dbraw/zinc/21/35/92/1417213592.db2.gz LGLGPHLDQWJHQD-UHFFFAOYSA-N 0 1 387.505 3.120 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(F)cc1 ZINC000135394779 1417214174 /nfs/dbraw/zinc/21/41/74/1417214174.db2.gz JULQEGXHOREPPY-IBGZPJMESA-N 0 1 380.423 3.441 20 0 GGADMN C[C@@H]1CCN(CC(=O)N(C)Cc2cnn(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135398471 1417214875 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C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000178780483 1429168324 /nfs/dbraw/zinc/16/83/24/1429168324.db2.gz MHEQTGQRTVQEGM-JXFKEZNVSA-N 0 1 380.492 3.430 20 0 GGADMN C[C@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)Oc1cccc(F)c1 ZINC000135516616 1417231686 /nfs/dbraw/zinc/23/16/86/1417231686.db2.gz GOLCQDVGICNYMI-CQSZACIVSA-N 0 1 377.435 3.293 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000135516855 1417231892 /nfs/dbraw/zinc/23/18/92/1417231892.db2.gz DZFOQFXVOHBZRD-UHFFFAOYSA-N 0 1 397.403 3.327 20 0 GGADMN O=S(=O)(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc2c(c1)OCCCO2 ZINC000135516728 1417231949 /nfs/dbraw/zinc/23/19/49/1417231949.db2.gz YMNVOXQUJIQDAF-UHFFFAOYSA-N 0 1 395.387 3.463 20 0 GGADMN CC(C)(NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1cccc(F)c1 ZINC000135596831 1417242489 /nfs/dbraw/zinc/24/24/89/1417242489.db2.gz QRHPFOGTKKITLL-UHFFFAOYSA-N 0 1 385.464 3.266 20 0 GGADMN COC(=O)c1occc1CN(C(=O)CN1CCC(C)CC1)[C@@H](C)c1ccccn1 ZINC000135599592 1417243611 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COc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc(OC)c1C ZINC000135621212 1417248456 /nfs/dbraw/zinc/24/84/56/1417248456.db2.gz ITLPNKLNNTXOLN-UHFFFAOYSA-N 0 1 384.476 3.221 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2c(c(Cl)c1)OCO2 ZINC000135621271 1417248532 /nfs/dbraw/zinc/24/85/32/1417248532.db2.gz MGDCHQUKSCXRRZ-UHFFFAOYSA-N 0 1 388.851 3.278 20 0 GGADMN COc1ccccc1OCCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000135624971 1417248700 /nfs/dbraw/zinc/24/87/00/1417248700.db2.gz GDSGMJNYFXVHMM-UHFFFAOYSA-N 0 1 384.476 3.060 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc(NC(=O)C2CC2)c1 ZINC000135623970 1417248772 /nfs/dbraw/zinc/24/87/72/1417248772.db2.gz QYPYULIJGJDEDL-UHFFFAOYSA-N 0 1 393.487 3.244 20 0 GGADMN COc1ccc(/C=C/C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1OC ZINC000135624554 1417248834 /nfs/dbraw/zinc/24/88/34/1417248834.db2.gz GLQSICWQLHQXFN-CSKARUKUSA-N 0 1 396.487 3.312 20 0 GGADMN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1CN1CCC(O)CC1 ZINC000135622644 1417249014 /nfs/dbraw/zinc/24/90/14/1417249014.db2.gz STWBRNMNZFSQTJ-SOFGYWHQSA-N 0 1 380.444 3.024 20 0 GGADMN CC1=NN(c2ccc(C(=O)Nc3ccccc3CN3CCC(O)CC3)cc2)CC1 ZINC000135622809 1417249041 /nfs/dbraw/zinc/24/90/41/1417249041.db2.gz MTJPNCIOHJVOIU-UHFFFAOYSA-N 0 1 392.503 3.482 20 0 GGADMN COc1ccc(CCC(=O)Nc2ccccc2CN2CCC(O)CC2)cc1OC ZINC000135630166 1417250292 /nfs/dbraw/zinc/25/02/92/1417250292.db2.gz AGBIOJLVMXZZQM-UHFFFAOYSA-N 0 1 398.503 3.232 20 0 GGADMN COc1ccc(Cl)cc1CC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000135630747 1417250757 /nfs/dbraw/zinc/25/07/57/1417250757.db2.gz YTDBKTMFCHXDJZ-UHFFFAOYSA-N 0 1 388.895 3.487 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc(N2CCCC2=O)c1 ZINC000135630591 1417250785 /nfs/dbraw/zinc/25/07/85/1417250785.db2.gz PNEHLFIGKHDRCV-UHFFFAOYSA-N 0 1 393.487 3.022 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc(OC(F)F)c1 ZINC000135629525 1417250965 /nfs/dbraw/zinc/25/09/65/1417250965.db2.gz ADTOIRSNEACNPU-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)n1 ZINC000135780658 1417266770 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Fc1ccc(N2CCN(c3cc(CNCc4cncs4)ccn3)CC2)cc1 ZINC000135904586 1417277016 /nfs/dbraw/zinc/27/70/16/1417277016.db2.gz IFWGXGDYAAEYFP-UHFFFAOYSA-N 0 1 383.496 3.294 20 0 GGADMN Cc1ccc2nc(SCC(=O)CCN3C(=O)c4ccccc4C3=O)[nH]c2c1 ZINC000135941020 1417280171 /nfs/dbraw/zinc/28/01/71/1417280171.db2.gz VCCMOIOAOXSZOU-UHFFFAOYSA-N 0 1 379.441 3.219 20 0 GGADMN O=C(NCCc1cc2ccccc2[nH]1)NC1CCN(Cc2ccccn2)CC1 ZINC000136013438 1417286414 /nfs/dbraw/zinc/28/64/14/1417286414.db2.gz RKMJRSMRTQTGDQ-UHFFFAOYSA-N 0 1 377.492 3.069 20 0 GGADMN CCCN(CCC)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000136044372 1417287701 /nfs/dbraw/zinc/28/77/01/1417287701.db2.gz LSMBZLAALWIBKD-UHFFFAOYSA-N 0 1 390.505 3.133 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c(F)c1 ZINC000136067381 1417289947 /nfs/dbraw/zinc/28/99/47/1417289947.db2.gz SYPCLZUVNCLNNO-UHFFFAOYSA-N 0 1 385.439 3.166 20 0 GGADMN CN(Cc1ccc(OCc2nccn2C)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178797186 1429173265 /nfs/dbraw/zinc/17/32/65/1429173265.db2.gz NLGQSZIPXUSQJI-MHZLTWQESA-N 0 1 383.517 3.369 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(Br)n1 ZINC000136169129 1417297477 /nfs/dbraw/zinc/29/74/77/1417297477.db2.gz SJZHHBPVGXPYNP-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000136187702 1417299091 /nfs/dbraw/zinc/29/90/91/1417299091.db2.gz SPDJJJFJYYEINA-OAHLLOKOSA-N 0 1 388.489 3.010 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F ZINC000136242119 1417304302 /nfs/dbraw/zinc/30/43/02/1417304302.db2.gz AVAZYUAGNLEVDY-UHFFFAOYSA-N 0 1 388.462 3.058 20 0 GGADMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000136248586 1417305051 /nfs/dbraw/zinc/30/50/51/1417305051.db2.gz GPKSVAFRVHQIRI-BTYIYWSLSA-N 0 1 385.483 3.421 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2ccc(OC)c(Cl)c2)N(C)C)c1 ZINC000136371302 1417311781 /nfs/dbraw/zinc/31/17/81/1417311781.db2.gz BEQLLVAUAYCQIE-GOSISDBHSA-N 0 1 391.899 3.459 20 0 GGADMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000136398291 1417313988 /nfs/dbraw/zinc/31/39/88/1417313988.db2.gz APBUOOFLBHNSFU-UZLBHIALSA-N 0 1 385.508 3.445 20 0 GGADMN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000136398343 1417314132 /nfs/dbraw/zinc/31/41/32/1417314132.db2.gz APBUOOFLBHNSFU-JXFKEZNVSA-N 0 1 385.508 3.445 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCOC(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136470106 1417319610 /nfs/dbraw/zinc/31/96/10/1417319610.db2.gz NMUUTNRKSVWEMD-RHSMWYFYSA-N 0 1 383.895 3.292 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136469400 1417319780 /nfs/dbraw/zinc/31/97/80/1417319780.db2.gz ZKOYSFYVIYBRCA-CRAIPNDOSA-N 0 1 393.894 3.047 20 0 GGADMN COc1ccc2oc([C@@H](C)N[C@H]3CCCN(c4cnn(C)c4)C3=O)c(C)c2c1 ZINC000178803252 1429174977 /nfs/dbraw/zinc/17/49/77/1429174977.db2.gz OHWYJPNTPAOIMU-KDOFPFPSSA-N 0 1 382.464 3.330 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c1 ZINC000178804814 1429175774 /nfs/dbraw/zinc/17/57/74/1429175774.db2.gz DPXPAQUGKPGHRR-UHFFFAOYSA-N 0 1 387.461 3.307 20 0 GGADMN COc1ccc(CCCN(C)CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000136663022 1417336711 /nfs/dbraw/zinc/33/67/11/1417336711.db2.gz NXYLVXDNMWORMY-UHFFFAOYSA-N 0 1 376.526 3.347 20 0 GGADMN C[C@@H]1CCC[C@H](C)N1C(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136674066 1417337414 /nfs/dbraw/zinc/33/74/14/1417337414.db2.gz BLMFYRPTDBUQRU-AHIWAGSCSA-N 0 1 395.429 3.292 20 0 GGADMN COC(=O)c1csc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000136673272 1417337429 /nfs/dbraw/zinc/33/74/29/1417337429.db2.gz IFWQIWFCPHQFNR-UHFFFAOYSA-N 0 1 391.468 3.460 20 0 GGADMN CC(C)(C)c1noc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136679027 1417338009 /nfs/dbraw/zinc/33/80/09/1417338009.db2.gz VBCBFZREZGCLDH-ZDUSSCGKSA-N 0 1 380.374 3.383 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000136684455 1417338792 /nfs/dbraw/zinc/33/87/92/1417338792.db2.gz YZGJFXNVVOSJDQ-HXUWFJFHSA-N 0 1 385.895 3.344 20 0 GGADMN COC(=O)c1cccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000136692940 1417339406 /nfs/dbraw/zinc/33/94/06/1417339406.db2.gz DKHGKVMAOKCVRJ-MRXNPFEDSA-N 0 1 390.365 3.489 20 0 GGADMN FC(F)(F)COCCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136699497 1417339666 /nfs/dbraw/zinc/33/96/66/1417339666.db2.gz KPGFFEUVJFJJON-LBPRGKRZSA-N 0 1 382.308 3.472 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc3c(c2)CCO3)CC1 ZINC000178807664 1429176591 /nfs/dbraw/zinc/17/65/91/1429176591.db2.gz XCAZRVIYSBHKIR-QGZVFWFLSA-N 0 1 394.519 3.084 20 0 GGADMN FC(F)(F)COCCCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136699526 1417339783 /nfs/dbraw/zinc/33/97/83/1417339783.db2.gz KPGFFEUVJFJJON-GFCCVEGCSA-N 0 1 382.308 3.472 20 0 GGADMN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136697481 1417339802 /nfs/dbraw/zinc/33/98/02/1417339802.db2.gz PJSPVHPTAYBTPH-PVUWLOKVSA-N 0 1 395.429 3.197 20 0 GGADMN FC(F)(F)c1cccc([C@H](NCc2nc(-c3ccoc3)no2)c2nnc[nH]2)c1 ZINC000136701434 1417340282 /nfs/dbraw/zinc/34/02/82/1417340282.db2.gz NYDHEDUGYSJFGK-AWEZNQCLSA-N 0 1 390.325 3.346 20 0 GGADMN C[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C)CC1 ZINC000136700702 1417340302 /nfs/dbraw/zinc/34/03/02/1417340302.db2.gz UOGGRAWCMRQPOV-CJNGLKHVSA-N 0 1 395.429 3.150 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136706922 1417341080 /nfs/dbraw/zinc/34/10/80/1417341080.db2.gz MUTUUCNBNPZKBV-QGZVFWFLSA-N 0 1 389.381 3.450 20 0 GGADMN CN(Cc1ccccc1NC(=O)N[C@]1(C)CCS(=O)(=O)C1)C1CCCCC1 ZINC000136725756 1417341700 /nfs/dbraw/zinc/34/17/00/1417341700.db2.gz GVZBEIXUMDACJC-HXUWFJFHSA-N 0 1 393.553 3.150 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C[C@@H]1C ZINC000136846876 1417349899 /nfs/dbraw/zinc/34/98/99/1417349899.db2.gz WBKYCDBNWFSSHH-LSDHHAIUSA-N 0 1 379.476 3.066 20 0 GGADMN C[C@@](O)(CNC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1 ZINC000136853904 1417350849 /nfs/dbraw/zinc/35/08/49/1417350849.db2.gz POPIEJVPANAZOF-WIYYLYMNSA-N 0 1 389.471 3.153 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000136884763 1417352540 /nfs/dbraw/zinc/35/25/40/1417352540.db2.gz HKENDXORNXHTOG-SFHVURJKSA-N 0 1 399.516 3.124 20 0 GGADMN Cc1ccc(CNC(=O)Cc2[nH]nc3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000136914086 1417353986 /nfs/dbraw/zinc/35/39/86/1417353986.db2.gz PJTKTRLGVOJYNG-KRWDZBQOSA-N 0 1 379.460 3.288 20 0 GGADMN Cc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)c(OC[C@@H]2CCCO2)c1 ZINC000136916370 1417354849 /nfs/dbraw/zinc/35/48/49/1417354849.db2.gz BZIDLIQYTKMZSF-KRWDZBQOSA-N 0 1 392.455 3.324 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2c2cccn2C)CC1 ZINC000178811844 1429177768 /nfs/dbraw/zinc/17/77/68/1429177768.db2.gz FEGXWVMCSRLHBY-UTKZUKDTSA-N 0 1 381.524 3.492 20 0 GGADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CC1 ZINC000136943845 1417356749 /nfs/dbraw/zinc/35/67/49/1417356749.db2.gz YPRDHLBXUACRBK-CABCVRRESA-N 0 1 394.537 3.216 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CCO1 ZINC000136947845 1417356945 /nfs/dbraw/zinc/35/69/45/1417356945.db2.gz HIHXBYTULQCMBV-WOJBJXKFSA-N 0 1 375.513 3.043 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000136951607 1417357442 /nfs/dbraw/zinc/35/74/42/1417357442.db2.gz RSUMLSGHPOAULA-HNNXBMFYSA-N 0 1 394.947 3.419 20 0 GGADMN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000136978480 1417359715 /nfs/dbraw/zinc/35/97/15/1417359715.db2.gz ABBXIXRPHXYJOI-UHFFFAOYSA-N 0 1 399.454 3.093 20 0 GGADMN CCOc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2OC)CC1 ZINC000137060526 1417365824 /nfs/dbraw/zinc/36/58/24/1417365824.db2.gz BCGVJGSVWXJLIO-UHFFFAOYSA-N 0 1 397.519 3.240 20 0 GGADMN CSC[C@H]1CCCN1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000137215189 1417375407 /nfs/dbraw/zinc/37/54/07/1417375407.db2.gz JTVPQGOAYONVSH-FUHIMQAGSA-N 0 1 391.581 3.333 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@@H]1CCCc2sccc21 ZINC000137393303 1417383376 /nfs/dbraw/zinc/38/33/76/1417383376.db2.gz JFPZKTKCQKNFJR-CQSZACIVSA-N 0 1 385.514 3.331 20 0 GGADMN CCOc1ccccc1NC(=O)CCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000137468662 1417387292 /nfs/dbraw/zinc/38/72/92/1417387292.db2.gz UANDGTDKGVXOPB-GOSISDBHSA-N 0 1 382.508 3.188 20 0 GGADMN CC(C)c1nnc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000137622541 1417391840 /nfs/dbraw/zinc/39/18/40/1417391840.db2.gz CZVXYPQPNVITKE-MRXNPFEDSA-N 0 1 387.553 3.196 20 0 GGADMN C[C@@H](Cn1cccn1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000137704799 1417393133 /nfs/dbraw/zinc/39/31/33/1417393133.db2.gz VDMVBRMFINRVSZ-FQEVSTJZSA-N 0 1 390.535 3.143 20 0 GGADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178825117 1429184255 /nfs/dbraw/zinc/18/42/55/1429184255.db2.gz CJWPTXQHLZSSTA-SIKLNZKXSA-N 0 1 379.504 3.021 20 0 GGADMN COc1ccc(N(C)C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cc1Cl ZINC000137793784 1417395444 /nfs/dbraw/zinc/39/54/44/1417395444.db2.gz DMZYGEAALIQMOQ-LLVKDONJSA-N 0 1 386.839 3.006 20 0 GGADMN Cc1cc(C)c(NC(=O)CCCN2CCN(C3=NC[C@@H](C)S3)CC2)c(C)c1 ZINC000137832298 1417396611 /nfs/dbraw/zinc/39/66/11/1417396611.db2.gz DWVAKKXSOIENGS-GOSISDBHSA-N 0 1 388.581 3.439 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)cc1 ZINC000137820383 1417396933 /nfs/dbraw/zinc/39/69/33/1417396933.db2.gz QMGNDGDVEOBYKH-UHFFFAOYSA-N 0 1 378.498 3.387 20 0 GGADMN O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178825137 1429184701 /nfs/dbraw/zinc/18/47/01/1429184701.db2.gz CJWPTXQHLZSSTA-DENIHFKCSA-N 0 1 379.504 3.021 20 0 GGADMN O=C(c1csc(-c2ccccc2F)n1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000138282793 1417410180 /nfs/dbraw/zinc/41/01/80/1417410180.db2.gz DPTBKYAILHLDDS-OAHLLOKOSA-N 0 1 389.496 3.276 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000138346828 1417411526 /nfs/dbraw/zinc/41/15/26/1417411526.db2.gz LAIHQJVOIVGHHB-UHFFFAOYSA-N 0 1 376.338 3.036 20 0 GGADMN CCc1ncsc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000138581634 1417426094 /nfs/dbraw/zinc/42/60/94/1417426094.db2.gz HRAGTMPBBHWTMS-CQSZACIVSA-N 0 1 390.528 3.478 20 0 GGADMN CC(=O)NC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCCC1 ZINC000138588687 1417427299 /nfs/dbraw/zinc/42/72/99/1417427299.db2.gz CURDDILPTUHRQX-UHFFFAOYSA-N 0 1 375.538 3.013 20 0 GGADMN COCCN1CCC(NC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)CC1 ZINC000138587199 1417427346 /nfs/dbraw/zinc/42/73/46/1417427346.db2.gz LOXDDTCBGSOVLE-UHFFFAOYSA-N 0 1 394.515 3.375 20 0 GGADMN COc1cccc(COCC(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000138600944 1417427557 /nfs/dbraw/zinc/42/75/57/1417427557.db2.gz VKGOCXSHQFEPQB-UHFFFAOYSA-N 0 1 386.517 3.399 20 0 GGADMN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138621315 1417428910 /nfs/dbraw/zinc/42/89/10/1417428910.db2.gz XZPGSNMPPKITNX-MGPUTAFESA-N 0 1 384.501 3.402 20 0 GGADMN CNC(=O)c1ccc(/C=C/C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000138611823 1417429303 /nfs/dbraw/zinc/42/93/03/1417429303.db2.gz AQENOGOCKIPUHR-JXMROGBWSA-N 0 1 395.528 3.247 20 0 GGADMN NC(=O)CSc1ccccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000138788334 1417438465 /nfs/dbraw/zinc/43/84/65/1417438465.db2.gz GUMMNLRRIHOQDZ-LJQANCHMSA-N 0 1 395.528 3.354 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CCO2)n[nH]1 ZINC000138921945 1417441611 /nfs/dbraw/zinc/44/16/11/1417441611.db2.gz BNVWZPBLHNJUIQ-WMZOPIPTSA-N 0 1 387.459 3.131 20 0 GGADMN O=C(CN1CCC[C@H]1c1ccc(O)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000138917696 1417442069 /nfs/dbraw/zinc/44/20/69/1417442069.db2.gz JCUYNHVJOAPJMH-IBGZPJMESA-N 0 1 390.430 3.489 20 0 GGADMN Cc1cc2oc(=O)cc(CN3CCC[C@H](N4CCNC4=O)C3)c2cc1C(C)C ZINC000138996862 1417444360 /nfs/dbraw/zinc/44/43/60/1417444360.db2.gz JMQMOOKFECTTIE-KRWDZBQOSA-N 0 1 383.492 3.214 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccnc1N1CCCC1 ZINC000139098672 1417447919 /nfs/dbraw/zinc/44/79/19/1417447919.db2.gz OCNYJDSEUXRRGT-UHFFFAOYSA-N 0 1 394.523 3.386 20 0 GGADMN CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000139098008 1417448246 /nfs/dbraw/zinc/44/82/46/1417448246.db2.gz RAVLDKGOBIDMTJ-UYAOXDASSA-N 0 1 388.508 3.024 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)o1 ZINC000139103601 1417449058 /nfs/dbraw/zinc/44/90/58/1417449058.db2.gz YGVHXVVJVMPBJW-MRXNPFEDSA-N 0 1 393.528 3.498 20 0 GGADMN Cc1ccc([C@@H](N[C@@H](C)Cn2cccn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000139141090 1417449630 /nfs/dbraw/zinc/44/96/30/1417449630.db2.gz RZPTXILIIWZIRY-LAUBAEHRSA-N 0 1 383.517 3.363 20 0 GGADMN COc1ccc(F)cc1-c1csc(NC(=O)CCCCc2cn[nH]n2)n1 ZINC000139167524 1417450856 /nfs/dbraw/zinc/45/08/56/1417450856.db2.gz MEWAGCBJNKHSSH-UHFFFAOYSA-N 0 1 375.429 3.427 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000139219030 1417451979 /nfs/dbraw/zinc/45/19/79/1417451979.db2.gz AFGJMKFXVQLFRY-UHFFFAOYSA-N 0 1 383.496 3.353 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000139252461 1417453978 /nfs/dbraw/zinc/45/39/78/1417453978.db2.gz GABROZSDFQTPTJ-HNNXBMFYSA-N 0 1 398.442 3.113 20 0 GGADMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000139338446 1417456673 /nfs/dbraw/zinc/45/66/73/1417456673.db2.gz WPFPLKMRKFNKMV-OAHLLOKOSA-N 0 1 392.463 3.042 20 0 GGADMN COc1cccc(C(NC(=O)CCCCc2cn[nH]n2)c2cccc(OC)c2)c1 ZINC000139451396 1417459727 /nfs/dbraw/zinc/45/97/27/1417459727.db2.gz HDXXBVQJFZBQBS-UHFFFAOYSA-N 0 1 394.475 3.441 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000139483093 1417461025 /nfs/dbraw/zinc/46/10/25/1417461025.db2.gz LWOLUNCSJSWOAK-QGZVFWFLSA-N 0 1 380.452 3.321 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000139638823 1417466540 /nfs/dbraw/zinc/46/65/40/1417466540.db2.gz WFSUSZJHAXLTTK-HNNXBMFYSA-N 0 1 376.888 3.489 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000139638656 1417466571 /nfs/dbraw/zinc/46/65/71/1417466571.db2.gz WFSUSZJHAXLTTK-OAHLLOKOSA-N 0 1 376.888 3.489 20 0 GGADMN COc1ccc([C@@H](NC(=O)CCCCc2cn[nH]n2)c2ccccc2OC)cc1 ZINC000139628336 1417466654 /nfs/dbraw/zinc/46/66/54/1417466654.db2.gz CLUAWJPGXPHNER-JOCHJYFZSA-N 0 1 394.475 3.441 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@H]2CCCCO2)N2CCCCC2)cc1 ZINC000139642669 1417466673 /nfs/dbraw/zinc/46/66/73/1417466673.db2.gz OHCQYCHJXRZOCT-WOJBJXKFSA-N 0 1 375.513 3.091 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCCCc2c[nH]nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000139670238 1417468312 /nfs/dbraw/zinc/46/83/12/1417468312.db2.gz HNUABYFGDMEQQA-LIRRHRJNSA-N 0 1 393.894 3.119 20 0 GGADMN CCc1nc2ccccc2n1C1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC000139720229 1417470152 /nfs/dbraw/zinc/47/01/52/1417470152.db2.gz QUXMURJGWVGDJQ-UHFFFAOYSA-N 0 1 380.496 3.293 20 0 GGADMN O=C(NNC(=O)c1ccc(Cl)cc1O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139818971 1417476327 /nfs/dbraw/zinc/47/63/27/1417476327.db2.gz GOWQRZYFLFQQRF-UHFFFAOYSA-N 0 1 385.163 3.074 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccc(OC(C)(C)C)cc2)C1 ZINC000139853368 1417477921 /nfs/dbraw/zinc/47/79/21/1417477921.db2.gz AERVHHHYDGSCTM-IBGZPJMESA-N 0 1 377.529 3.020 20 0 GGADMN CC(C)[C@H]1CCCN1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000139939877 1417481943 /nfs/dbraw/zinc/48/19/43/1417481943.db2.gz LWYWAKVQXMVZQI-CQSZACIVSA-N 0 1 383.539 3.292 20 0 GGADMN COCCn1cc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c2ccccc21 ZINC000139941670 1417482105 /nfs/dbraw/zinc/48/21/05/1417482105.db2.gz CTOCVSUTUSQRBY-OAHLLOKOSA-N 0 1 397.456 3.086 20 0 GGADMN COCCn1cc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c2ccccc21 ZINC000139941670 1417482108 /nfs/dbraw/zinc/48/21/08/1417482108.db2.gz CTOCVSUTUSQRBY-OAHLLOKOSA-N 0 1 397.456 3.086 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000139953132 1417482392 /nfs/dbraw/zinc/48/23/92/1417482392.db2.gz KYBHZNXPIMSPLY-GOSISDBHSA-N 0 1 399.495 3.339 20 0 GGADMN Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C(F)(F)F ZINC000139999671 1417484490 /nfs/dbraw/zinc/48/44/90/1417484490.db2.gz NQJVIZWXIDSOSW-LBPRGKRZSA-N 0 1 386.443 3.142 20 0 GGADMN CCCCOc1ncccc1CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000140111265 1417488583 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399.539 3.075 20 0 GGADMN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000140207449 1417491761 /nfs/dbraw/zinc/49/17/61/1417491761.db2.gz JYWUFHHVLWCOIP-NSHDSACASA-N 0 1 393.359 3.368 20 0 GGADMN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000140207613 1417492635 /nfs/dbraw/zinc/49/26/35/1417492635.db2.gz JYWUFHHVLWCOIP-LLVKDONJSA-N 0 1 393.359 3.368 20 0 GGADMN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)Cc1[nH]nc2ccccc21 ZINC000140225528 1417493905 /nfs/dbraw/zinc/49/39/05/1417493905.db2.gz ZNFXMYWXFZHICC-UHFFFAOYSA-N 0 1 379.460 3.476 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)Cc2[nH]nc3ccccc32)c1C ZINC000140274158 1417494934 /nfs/dbraw/zinc/49/49/34/1417494934.db2.gz HNTDQYCEJVVXRV-AWEZNQCLSA-N 0 1 383.448 3.157 20 0 GGADMN C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)C(=O)NCc1ccccc1 ZINC000140329279 1417498684 /nfs/dbraw/zinc/49/86/84/1417498684.db2.gz UVWBFSPWIGJSCJ-INIZCTEOSA-N 0 1 382.895 3.379 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCCCO1)N1CCCCC1 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CCOc1ccc([C@@H](C)NC(=O)CN(C)C2Cc3ccccc3C2)cc1OC ZINC000141361952 1417534911 /nfs/dbraw/zinc/53/49/11/1417534911.db2.gz ULYJYEDNJXDPSF-MRXNPFEDSA-N 0 1 382.504 3.370 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN(C)C2Cc3ccccc3C2)c(OC)c1 ZINC000141368821 1417535372 /nfs/dbraw/zinc/53/53/72/1417535372.db2.gz KDZJJOPLVGJIAD-JOCHJYFZSA-N 0 1 394.515 3.467 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1S(C)(=O)=O ZINC000141386784 1417535453 /nfs/dbraw/zinc/53/54/53/1417535453.db2.gz BEWFHFADUGWHQC-KRWDZBQOSA-N 0 1 399.472 3.379 20 0 GGADMN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCN(CCc2cccs2)CC1 ZINC000141397542 1417536488 /nfs/dbraw/zinc/53/64/88/1417536488.db2.gz ZUIXSDARJQEDAG-MOPGFXCFSA-N 0 1 385.577 3.483 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(CCc2cccs2)CC1 ZINC000141478337 1417539788 /nfs/dbraw/zinc/53/97/88/1417539788.db2.gz JNBHLCVQYHFTML-SFHVURJKSA-N 0 1 383.561 3.276 20 0 GGADMN COc1ccc(C(C)(C)CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)cc1OC ZINC000737073879 1429192819 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O=C(NCC1CC1)[C@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000143375906 1417628998 /nfs/dbraw/zinc/62/89/98/1417628998.db2.gz FOSWNVDWFJVDCG-SFHVURJKSA-N 0 1 378.520 3.099 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)CN(C)CCc3ccccc3)cc2)C[C@H](C)O1 ZINC000143388616 1417631734 /nfs/dbraw/zinc/63/17/34/1417631734.db2.gz VCZYXDBRLJRXGJ-OALUTQOASA-N 0 1 381.520 3.413 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000143676786 1417644793 /nfs/dbraw/zinc/64/47/93/1417644793.db2.gz VVMDJXZUVDADMV-UTKZUKDTSA-N 0 1 393.487 3.485 20 0 GGADMN O=C(CNC(c1ccccc1)c1ccccc1)NC[C@@H]1COc2ccccc2O1 ZINC000144090504 1417655796 /nfs/dbraw/zinc/65/57/96/1417655796.db2.gz XSDHSVNZNKOOHS-HXUWFJFHSA-N 0 1 388.467 3.322 20 0 GGADMN Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000144110352 1417656912 /nfs/dbraw/zinc/65/69/12/1417656912.db2.gz ONAMFJMWWAUHFL-IBGZPJMESA-N 0 1 392.459 3.400 20 0 GGADMN OCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCCc2ccccc21 ZINC000823718129 1429199458 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GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000144834132 1417674211 /nfs/dbraw/zinc/67/42/11/1417674211.db2.gz CIJGSLSDKGEVHS-HUUCEWRRSA-N 0 1 375.542 3.060 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCCC[C@H]3C)n2)c(OC)c1 ZINC000144843717 1417674641 /nfs/dbraw/zinc/67/46/41/1417674641.db2.gz UPGZFQGGQYLDFW-DOMZBBRYSA-N 0 1 390.509 3.276 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3noc(C(C)(C)C)n3)n2)c(OC)c1 ZINC000144856295 1417674831 /nfs/dbraw/zinc/67/48/31/1417674831.db2.gz AZMQEINCIBFHFO-UHFFFAOYSA-N 0 1 375.454 3.462 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000178863180 1429200874 /nfs/dbraw/zinc/20/08/74/1429200874.db2.gz WZINGLUEOLTDSG-GOSISDBHSA-N 0 1 387.524 3.281 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3n[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000144921305 1417676208 /nfs/dbraw/zinc/67/62/08/1417676208.db2.gz BYSMZENAHRGYGQ-IRXDYDNUSA-N 0 1 392.503 3.031 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@H](Oc2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000145436628 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GGADMN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1F ZINC000146474372 1417721047 /nfs/dbraw/zinc/72/10/47/1417721047.db2.gz DZYOUYCEMBOBGU-CQSZACIVSA-N 0 1 398.525 3.086 20 0 GGADMN COc1ccc(CCCNC(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC ZINC000146598143 1417726187 /nfs/dbraw/zinc/72/61/87/1417726187.db2.gz HBWICZHEYFEVOU-QGZVFWFLSA-N 0 1 391.537 3.300 20 0 GGADMN COCc1nc(C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cs1 ZINC000146891733 1417734161 /nfs/dbraw/zinc/73/41/61/1417734161.db2.gz KRHFAVYPGJWMES-JTQLQIEISA-N 0 1 393.852 3.221 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)CCCNC(=O)C(C)(C)C ZINC000147382496 1417745380 /nfs/dbraw/zinc/74/53/80/1417745380.db2.gz HBGPORWENZMLJD-UHFFFAOYSA-N 0 1 391.581 3.425 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cnn(C)c1-n1cccc1 ZINC000147381258 1417745408 /nfs/dbraw/zinc/74/54/08/1417745408.db2.gz VJNMZJGKCSDTNU-UHFFFAOYSA-N 0 1 395.532 3.320 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(NC(N)=O)cc1 ZINC000147383824 1417745853 /nfs/dbraw/zinc/74/58/53/1417745853.db2.gz WVZFMZMYPDJCHM-UHFFFAOYSA-N 0 1 384.505 3.287 20 0 GGADMN Cc1ccc2ncc(CNCc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2c1 ZINC000178876153 1429206451 /nfs/dbraw/zinc/20/64/51/1429206451.db2.gz LYLIMIRAPUAKEW-UHFFFAOYSA-N 0 1 398.532 3.107 20 0 GGADMN O=C(CN1CCCCCC1=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000147611476 1417750130 /nfs/dbraw/zinc/75/01/30/1417750130.db2.gz VRTKVHQIAWOXEM-UHFFFAOYSA-N 0 1 389.459 3.480 20 0 GGADMN Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F ZINC000148320763 1417762588 /nfs/dbraw/zinc/76/25/88/1417762588.db2.gz IGPKZVIHTDOMTR-NSHDSACASA-N 0 1 379.457 3.117 20 0 GGADMN C[C@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@@H](c2ccccc2)O1 ZINC000149790933 1417780106 /nfs/dbraw/zinc/78/01/06/1417780106.db2.gz UOYGIUSRZWQXHV-AVRDEDQJSA-N 0 1 394.519 3.218 20 0 GGADMN Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCN3CCN(C)CC3)c2c1 ZINC000150287285 1417787718 /nfs/dbraw/zinc/78/77/18/1417787718.db2.gz YCVVJZDCLQTNCS-UHFFFAOYSA-N 0 1 394.544 3.249 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3CCC[NH2+]3)ccc2C)c1 ZINC000150699991 1417789335 /nfs/dbraw/zinc/78/93/35/1417789335.db2.gz FDHATEGIAKDKHF-INIZCTEOSA-N 0 1 387.505 3.185 20 0 GGADMN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@H]1CNCCO1 ZINC000150704408 1417790162 /nfs/dbraw/zinc/79/01/62/1417790162.db2.gz QGHMBEYEIPGQBK-OXJNMPFZSA-N 0 1 383.879 3.058 20 0 GGADMN Cc1ccc(CNCc2ccccc2N2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC000150752933 1417799814 /nfs/dbraw/zinc/79/98/14/1417799814.db2.gz ZQYGAACCPDORAM-NRFANRHFSA-N 0 1 382.504 3.289 20 0 GGADMN Cc1ccc(CNCc2cn(C)nc2-c2cccnc2)c(O[C@@H]2CCOC2)c1 ZINC000150758286 1417801269 /nfs/dbraw/zinc/80/12/69/1417801269.db2.gz RZOBDOICFSCGMS-HXUWFJFHSA-N 0 1 378.476 3.248 20 0 GGADMN COc1cc(CN2CC[C@H](NC(=O)c3c(C)[nH]c4ccccc43)C2)cc(OC)c1 ZINC000150764745 1417802703 /nfs/dbraw/zinc/80/27/03/1417802703.db2.gz XPLWSGCUXZOMTG-KRWDZBQOSA-N 0 1 393.487 3.498 20 0 GGADMN O=C(CN[C@@H](c1cccc(Cl)c1)C1CCCCC1)NCC(=O)N1CCCC1 ZINC000150793068 1417807827 /nfs/dbraw/zinc/80/78/27/1417807827.db2.gz RMTDNXSUCOTUSX-OAQYLSRUSA-N 0 1 391.943 3.290 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000150800226 1417808989 /nfs/dbraw/zinc/80/89/89/1417808989.db2.gz LHYOGFIGBZZELK-WMZOPIPTSA-N 0 1 387.524 3.201 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000178887646 1429211454 /nfs/dbraw/zinc/21/14/54/1429211454.db2.gz QCRPDKQQHBWGBP-GCJKJVERSA-N 0 1 394.519 3.390 20 0 GGADMN CO[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1Cl ZINC000150804621 1417810482 /nfs/dbraw/zinc/81/04/82/1417810482.db2.gz HULZTBMEYSZYMH-QGZVFWFLSA-N 0 1 387.823 3.418 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(F)c3ncccc23)n1 ZINC000150817994 1417813372 /nfs/dbraw/zinc/81/33/72/1417813372.db2.gz XFLFVGZHOBTIPY-UHFFFAOYSA-N 0 1 397.435 3.372 20 0 GGADMN CCCCN(C)c1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000150834849 1417816600 /nfs/dbraw/zinc/81/66/00/1417816600.db2.gz BSCLGRBBZFNBJY-UHFFFAOYSA-N 0 1 382.508 3.336 20 0 GGADMN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000150838380 1417817220 /nfs/dbraw/zinc/81/72/20/1417817220.db2.gz SUQATCBKVAYFTH-OAHLLOKOSA-N 0 1 383.492 3.378 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000150839216 1417817680 /nfs/dbraw/zinc/81/76/80/1417817680.db2.gz VVXMQWMGVGHERP-UHFFFAOYSA-N 0 1 377.444 3.018 20 0 GGADMN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c2ccc(F)cc2n1 ZINC000150843784 1417818582 /nfs/dbraw/zinc/81/85/82/1417818582.db2.gz NXSFAEMIYYIQOS-UHFFFAOYSA-N 0 1 380.423 3.095 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(SC(F)F)cc1 ZINC000150843655 1417818604 /nfs/dbraw/zinc/81/86/04/1417818604.db2.gz FQEWUAIQNKKSFB-UHFFFAOYSA-N 0 1 379.432 3.414 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000150851047 1417820517 /nfs/dbraw/zinc/82/05/17/1417820517.db2.gz NMNPVKGGIWXHGB-UHFFFAOYSA-N 0 1 379.382 3.047 20 0 GGADMN O=C(Cc1cccs1)Nc1ccccc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000150858707 1417822322 /nfs/dbraw/zinc/82/23/22/1417822322.db2.gz YPAJDLLQAXQVQD-AWEZNQCLSA-N 0 1 394.518 3.240 20 0 GGADMN Cn1cc(S(=O)(=O)Nc2cccc(CSC3CCCC3)c2)cc1C(N)=O ZINC000150866241 1417823778 /nfs/dbraw/zinc/82/37/78/1417823778.db2.gz FIDDMJXRHXUZMF-UHFFFAOYSA-N 0 1 393.534 3.101 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000150866848 1417823816 /nfs/dbraw/zinc/82/38/16/1417823816.db2.gz XDAUNIVDGXNFQV-UHFFFAOYSA-N 0 1 378.425 3.374 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000150872443 1417825048 /nfs/dbraw/zinc/82/50/48/1417825048.db2.gz FEXHYMIBUGKOOI-UHFFFAOYSA-N 0 1 383.473 3.354 20 0 GGADMN Cc1ccoc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000150874400 1417825515 /nfs/dbraw/zinc/82/55/15/1417825515.db2.gz MICIQPACCKJMDX-UHFFFAOYSA-N 0 1 381.398 3.289 20 0 GGADMN COc1ccc(-c2n[nH]c(CNc3ncnc4oc(C)c(C(C)=O)c43)n2)cc1 ZINC000178895463 1429213689 /nfs/dbraw/zinc/21/36/89/1429213689.db2.gz VCMXVTJSWRQENC-UHFFFAOYSA-N 0 1 378.392 3.140 20 0 GGADMN COc1ccc(-c2nc(CNc3ncnc4oc(C)c(C(C)=O)c43)n[nH]2)cc1 ZINC000178895463 1429213699 /nfs/dbraw/zinc/21/36/99/1429213699.db2.gz VCMXVTJSWRQENC-UHFFFAOYSA-N 0 1 378.392 3.140 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)N2CCCC2)c1 ZINC000150938997 1417839705 /nfs/dbraw/zinc/83/97/05/1417839705.db2.gz JIQNXBVURSRZLL-TZIWHRDSSA-N 0 1 384.451 3.091 20 0 GGADMN O=S(=O)(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1c[nH]c2ncccc12 ZINC000150968352 1417845373 /nfs/dbraw/zinc/84/53/73/1417845373.db2.gz ZLZFMVKDZTZKTK-UHFFFAOYSA-N 0 1 390.428 3.302 20 0 GGADMN OCC1(CN2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)COC1 ZINC000150968818 1417845405 /nfs/dbraw/zinc/84/54/05/1417845405.db2.gz WMFLGEFATQTVKV-OAQYLSRUSA-N 0 1 386.923 3.056 20 0 GGADMN COc1ccc(CNCc2ccc(C)cc2OC(C)(C)C)cc1OCC(N)=O ZINC000150969212 1417845722 /nfs/dbraw/zinc/84/57/22/1417845722.db2.gz YSQMIJZLGQVSOA-UHFFFAOYSA-N 0 1 386.492 3.335 20 0 GGADMN CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)c1 ZINC000150972988 1417846659 /nfs/dbraw/zinc/84/66/59/1417846659.db2.gz OFWFVNCIINDCLR-PKOBYXMFSA-N 0 1 382.508 3.258 20 0 GGADMN CN(C)[C@H](CNC(=O)NC(C)(C)c1cn(-c2ccccc2)nn1)c1cccs1 ZINC000150987577 1417850078 /nfs/dbraw/zinc/85/00/78/1417850078.db2.gz LTQTTWWKYPPUPM-MRXNPFEDSA-N 0 1 398.536 3.166 20 0 GGADMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1 ZINC000150989983 1417850339 /nfs/dbraw/zinc/85/03/39/1417850339.db2.gz LQDZFBYIAINFPC-LBPRGKRZSA-N 0 1 388.474 3.081 20 0 GGADMN Cc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(OC(C)C)c1 ZINC000151007935 1417854428 /nfs/dbraw/zinc/85/44/28/1417854428.db2.gz YWQZTSCBNYRHNL-UHFFFAOYSA-N 0 1 398.507 3.264 20 0 GGADMN CNC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)cc1 ZINC000151022222 1417856750 /nfs/dbraw/zinc/85/67/50/1417856750.db2.gz MPBJDJHUPAPFBB-OAHLLOKOSA-N 0 1 387.911 3.387 20 0 GGADMN CCN(CC)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000151029757 1417858659 /nfs/dbraw/zinc/85/86/59/1417858659.db2.gz FERJISOIDZLMJT-OAHLLOKOSA-N 0 1 392.546 3.137 20 0 GGADMN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000151049547 1417861909 /nfs/dbraw/zinc/86/19/09/1417861909.db2.gz UHPFWCNOMOPFBX-UHFFFAOYSA-N 0 1 397.504 3.256 20 0 GGADMN O=C(NC1CC1)[C@H](NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000151050751 1417862466 /nfs/dbraw/zinc/86/24/66/1417862466.db2.gz RTQAFCKCIRAERX-QGZVFWFLSA-N 0 1 379.382 3.089 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000151054564 1417863171 /nfs/dbraw/zinc/86/31/71/1417863171.db2.gz MULPHPIUGCSKGA-UHFFFAOYSA-N 0 1 397.475 3.468 20 0 GGADMN CCCC[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)Nc1cc(C)on1 ZINC000151062328 1417864983 /nfs/dbraw/zinc/86/49/83/1417864983.db2.gz NMOXKYKUHMRTMM-ZWKOTPCHSA-N 0 1 390.528 3.251 20 0 GGADMN CCCC[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)Nc1cc(C)on1 ZINC000151062241 1417864996 /nfs/dbraw/zinc/86/49/96/1417864996.db2.gz NMOXKYKUHMRTMM-QZTJIDSGSA-N 0 1 390.528 3.251 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000151088448 1417869860 /nfs/dbraw/zinc/86/98/60/1417869860.db2.gz RSVMCIRXMIMKSU-GOSISDBHSA-N 0 1 398.576 3.019 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000151088394 1417870003 /nfs/dbraw/zinc/87/00/03/1417870003.db2.gz RSVMCIRXMIMKSU-SFHVURJKSA-N 0 1 398.576 3.019 20 0 GGADMN Cc1ccccc1-n1ncc(C(=O)N(C)[C@H]2CCCN(C)C2)c1C(F)(F)F ZINC000151103769 1417872924 /nfs/dbraw/zinc/87/29/24/1417872924.db2.gz YWOCVILRZZZIJB-AWEZNQCLSA-N 0 1 380.414 3.366 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3Cc4cc(F)ccc4O3)cc2)C[C@@H](C)O1 ZINC000151112166 1417874655 /nfs/dbraw/zinc/87/46/55/1417874655.db2.gz RSNZTILHXDSKIA-MCFFVMPBSA-N 0 1 398.478 3.055 20 0 GGADMN COc1cc(OC)c(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1F ZINC000151117041 1417875548 /nfs/dbraw/zinc/87/55/48/1417875548.db2.gz UGEHDVZVFLAYSJ-INIZCTEOSA-N 0 1 379.407 3.406 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000178915245 1429219132 /nfs/dbraw/zinc/21/91/32/1429219132.db2.gz WMIOGPRBWUKURU-QZTJIDSGSA-N 0 1 391.512 3.181 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000178915218 1429219228 /nfs/dbraw/zinc/21/92/28/1429219228.db2.gz WMIOGPRBWUKURU-MSOLQXFVSA-N 0 1 391.512 3.181 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000151136028 1417879585 /nfs/dbraw/zinc/87/95/85/1417879585.db2.gz SXUFQVKVKOOZJS-CYBMUJFWSA-N 0 1 394.479 3.101 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(C2CCCCC2)nn1C ZINC000151135974 1417879636 /nfs/dbraw/zinc/87/96/36/1417879636.db2.gz SXUFQVKVKOOZJS-ZDUSSCGKSA-N 0 1 394.479 3.101 20 0 GGADMN COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1C ZINC000151143357 1417881325 /nfs/dbraw/zinc/88/13/25/1417881325.db2.gz SHDZABGKWZUNRM-CQSZACIVSA-N 0 1 375.494 3.047 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCO[C@@](C)(c3ccccc3)C2)N(C)C)c1 ZINC000151146058 1417881553 /nfs/dbraw/zinc/88/15/53/1417881553.db2.gz RMOJGAGHMOULFN-FYYLOGMGSA-N 0 1 397.519 3.255 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCO[C@@](C)(c3ccccc3)C2)N(C)C)c1 ZINC000151145955 1417881636 /nfs/dbraw/zinc/88/16/36/1417881636.db2.gz RMOJGAGHMOULFN-JTHBVZDNSA-N 0 1 397.519 3.255 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H]2CCc3c2cccc3OC)N(C)C)c1 ZINC000151146647 1417882059 /nfs/dbraw/zinc/88/20/59/1417882059.db2.gz SCJMSUYOJJGQHV-PMACEKPBSA-N 0 1 383.492 3.293 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN([C@@H](C)c3ccncc3)CC1)CO2 ZINC000151152706 1417883183 /nfs/dbraw/zinc/88/31/83/1417883183.db2.gz BMUUPZWQLZPKLX-OXJNMPFZSA-N 0 1 380.492 3.348 20 0 GGADMN C[C@H](C[C@H](O)c1cccs1)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000178919543 1429219875 /nfs/dbraw/zinc/21/98/75/1429219875.db2.gz ISLDIOCMYUSWHU-PMPSAXMXSA-N 0 1 377.510 3.289 20 0 GGADMN COc1cc(OC)c(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1F ZINC000151169373 1417886408 /nfs/dbraw/zinc/88/64/08/1417886408.db2.gz CKVJRIFCCOGRFD-CQSZACIVSA-N 0 1 387.455 3.411 20 0 GGADMN COc1cc(OC)c(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1F ZINC000151185837 1417889835 /nfs/dbraw/zinc/88/98/35/1417889835.db2.gz ICBRJZHKAMSYOH-UHFFFAOYSA-N 0 1 379.407 3.236 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccco1 ZINC000151205218 1417893635 /nfs/dbraw/zinc/89/36/35/1417893635.db2.gz BMSORKBSBFXBLC-JTDSTZFVSA-N 0 1 381.542 3.016 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000151210165 1417894241 /nfs/dbraw/zinc/89/42/41/1417894241.db2.gz GQVVKMHUWNNRMB-CYBMUJFWSA-N 0 1 396.520 3.430 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000151209955 1417894283 /nfs/dbraw/zinc/89/42/83/1417894283.db2.gz FCGNJMWLUDAZCD-UHFFFAOYSA-N 0 1 382.493 3.042 20 0 GGADMN COc1cc(CNC(=O)[C@@H]2NCCc3ccccc32)ccc1OCC(F)(F)F ZINC000151225570 1417897124 /nfs/dbraw/zinc/89/71/24/1417897124.db2.gz BMJLHNQREXWNKE-GOSISDBHSA-N 0 1 394.393 3.140 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000151232096 1417898811 /nfs/dbraw/zinc/89/88/11/1417898811.db2.gz AZVAQDZVUCANPI-CYBMUJFWSA-N 0 1 382.489 3.028 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CON=C(N)c1ccc(N(C)C)cc1 ZINC000151286938 1417915522 /nfs/dbraw/zinc/91/55/22/1417915522.db2.gz VWXRTVZBKYWHKQ-AWEZNQCLSA-N 0 1 388.899 3.263 20 0 GGADMN COc1ccccc1CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000151304549 1417921166 /nfs/dbraw/zinc/92/11/66/1417921166.db2.gz IASZXOYOSOPCKG-UHFFFAOYSA-N 0 1 390.911 3.349 20 0 GGADMN O=C(CCc1nc[nH]n1)O[C@H](c1cc(Br)ccc1F)C(F)(F)F ZINC000151313898 1417923841 /nfs/dbraw/zinc/92/38/41/1417923841.db2.gz WXNSOZKEZGRURH-GFCCVEGCSA-N 0 1 396.138 3.486 20 0 GGADMN CCCc1cc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n[nH]1 ZINC000151314685 1417924490 /nfs/dbraw/zinc/92/44/90/1417924490.db2.gz QZOBAAWQRVDUPW-UHFFFAOYSA-N 0 1 394.519 3.406 20 0 GGADMN Fc1ccccc1CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000151319681 1417925170 /nfs/dbraw/zinc/92/51/70/1417925170.db2.gz IFWBTGHWGBQDJY-UHFFFAOYSA-N 0 1 378.875 3.480 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000178914913 1429218414 /nfs/dbraw/zinc/21/84/14/1429218414.db2.gz PPVUTJMQVSLXKN-HOTGVXAUSA-N 0 1 381.542 3.116 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H]2NCCc3ccccc32)cc1OC(F)F ZINC000151367347 1417938306 /nfs/dbraw/zinc/93/83/06/1417938306.db2.gz DWUJTGRNBHEFNR-SFHVURJKSA-N 0 1 376.403 3.142 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)c1 ZINC000151392722 1417946855 /nfs/dbraw/zinc/94/68/55/1417946855.db2.gz BORXSRLSAKHMCH-UHFFFAOYSA-N 0 1 389.887 3.164 20 0 GGADMN Clc1ccc(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)cn1 ZINC000151396297 1417947828 /nfs/dbraw/zinc/94/78/28/1417947828.db2.gz QUBOWGXYRPJYGQ-UHFFFAOYSA-N 0 1 396.318 3.389 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000151399281 1417949416 /nfs/dbraw/zinc/94/94/16/1417949416.db2.gz RGPAGOMOILIMPW-HOTGVXAUSA-N 0 1 392.569 3.195 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)N(C)CC(C)(C)CN2CCOCC2)c(Cl)c1 ZINC000178933670 1429223568 /nfs/dbraw/zinc/22/35/68/1429223568.db2.gz YKCCELRLSVJQND-MRXNPFEDSA-N 0 1 381.948 3.266 20 0 GGADMN CN(C(=O)CN1CCC[C@](C)(CO)C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000151430727 1417965023 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CN(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)CC1(O)CCCC1 ZINC000152228329 1418178850 /nfs/dbraw/zinc/17/88/50/1418178850.db2.gz SDIWYQOXLWUTOQ-IBGZPJMESA-N 0 1 376.497 3.330 20 0 GGADMN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000152262271 1418187505 /nfs/dbraw/zinc/18/75/05/1418187505.db2.gz FQCGIGRKSHUYKG-INIZCTEOSA-N 0 1 393.491 3.278 20 0 GGADMN CCn1nc(C)c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1Cl ZINC000152267213 1418189302 /nfs/dbraw/zinc/18/93/02/1418189302.db2.gz HJAUKRHZSOYKQU-KRWDZBQOSA-N 0 1 390.915 3.440 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000152277675 1418192133 /nfs/dbraw/zinc/19/21/33/1418192133.db2.gz VKBTXAWXWSEYKG-UHFFFAOYSA-N 0 1 389.931 3.197 20 0 GGADMN CCN(CC)[C@H](C(=O)NCCCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000152295042 1418197332 /nfs/dbraw/zinc/19/73/32/1418197332.db2.gz ZDHORPRYYQWSSG-QFIPXVFZSA-N 0 1 395.503 3.001 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)C2=O)cc1 ZINC000152295030 1418197426 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392.507 3.363 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276208 1429247680 /nfs/dbraw/zinc/24/76/80/1429247680.db2.gz XNLVTOKRMLVZHW-WMZOPIPTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000826276208 1429247684 /nfs/dbraw/zinc/24/76/84/1429247684.db2.gz XNLVTOKRMLVZHW-WMZOPIPTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276208 1429247690 /nfs/dbraw/zinc/24/76/90/1429247690.db2.gz XNLVTOKRMLVZHW-WMZOPIPTSA-N 0 1 377.496 3.283 20 0 GGADMN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2c(C)cc(N(C)C)cc2C)c1 ZINC000179083781 1429257499 /nfs/dbraw/zinc/25/74/99/1429257499.db2.gz GHMXXSIVYVFCBY-UHFFFAOYSA-N 0 1 380.441 3.096 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1OC ZINC000179106554 1429264288 /nfs/dbraw/zinc/26/42/88/1429264288.db2.gz NLYBXQFTXYREQE-ZDUSSCGKSA-N 0 1 377.872 3.109 20 0 GGADMN COc1c(C)ccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1C ZINC000179113831 1429266530 /nfs/dbraw/zinc/26/65/30/1429266530.db2.gz LFRHDWMACGWCIY-RTBURBONSA-N 0 1 383.492 3.069 20 0 GGADMN COc1c(C)ccc(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1C ZINC000179113799 1429266937 /nfs/dbraw/zinc/26/69/37/1429266937.db2.gz LFRHDWMACGWCIY-OALUTQOASA-N 0 1 383.492 3.069 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(OCC2CC2)cc1 ZINC000179136577 1429274196 /nfs/dbraw/zinc/27/41/96/1429274196.db2.gz RIIZLQSYCATIEU-RTWAWAEBSA-N 0 1 395.503 3.232 20 0 GGADMN COC(=O)C[C@@H]1CCCN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000179137899 1429274548 /nfs/dbraw/zinc/27/45/48/1429274548.db2.gz WIJSMLNJYPLIOY-KRWDZBQOSA-N 0 1 398.425 3.224 20 0 GGADMN COC(=O)C[C@@H]1CCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000179142143 1429275813 /nfs/dbraw/zinc/27/58/13/1429275813.db2.gz TYFNLFFHOMNYJP-JTSKRJEESA-N 0 1 398.528 3.250 20 0 GGADMN CCCc1ccc([C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(C)C)cc1 ZINC000736497509 1429280288 /nfs/dbraw/zinc/28/02/88/1429280288.db2.gz QZUXYZFTBAIPFA-QFBILLFUSA-N 0 1 394.527 3.044 20 0 GGADMN COC(=O)C[C@@H]1CCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000179162114 1429281768 /nfs/dbraw/zinc/28/17/68/1429281768.db2.gz WEBHACHSYZVNQB-SFHVURJKSA-N 0 1 393.915 3.042 20 0 GGADMN COc1ccccc1OC[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000179166456 1429282971 /nfs/dbraw/zinc/28/29/71/1429282971.db2.gz RSKULIDHRAECPH-HOTGVXAUSA-N 0 1 391.537 3.374 20 0 GGADMN COC(=O)C[C@@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000179170064 1429284296 /nfs/dbraw/zinc/28/42/96/1429284296.db2.gz LAVZJVKGQSIULZ-ZWKOTPCHSA-N 0 1 393.915 3.214 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cn3cnc(-c4ccccc4)n3)[nH]c2c1 ZINC000179171308 1429284578 /nfs/dbraw/zinc/28/45/78/1429284578.db2.gz MMZAMWUNGFOTKO-LJQANCHMSA-N 0 1 386.459 3.494 20 0 GGADMN COC(=O)C[C@@H]1CCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000179170037 1429284684 /nfs/dbraw/zinc/28/46/84/1429284684.db2.gz LAVZJVKGQSIULZ-ROUUACIJSA-N 0 1 393.915 3.214 20 0 GGADMN Cc1sc2[nH]c(C[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)nc(=O)c2c1C ZINC000826350442 1429292623 /nfs/dbraw/zinc/29/26/23/1429292623.db2.gz WLCIASQHGIGIFR-SNVBAGLBSA-N 0 1 381.465 3.045 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000179236664 1429302140 /nfs/dbraw/zinc/30/21/40/1429302140.db2.gz FXOIZGOGCTWRAS-QFIPXVFZSA-N 0 1 393.531 3.259 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccnc3C(F)(F)F)n2)c(OC)c1 ZINC000179258955 1429307112 /nfs/dbraw/zinc/30/71/12/1429307112.db2.gz UTEJPBFRWBAFKL-UHFFFAOYSA-N 0 1 393.325 3.155 20 0 GGADMN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000179269991 1429309867 /nfs/dbraw/zinc/30/98/67/1429309867.db2.gz OVKQHSSTIMNNSU-UHFFFAOYSA-N 0 1 389.459 3.028 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)CN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000179274591 1429310684 /nfs/dbraw/zinc/31/06/84/1429310684.db2.gz KHXPRUQMSDCXQU-HSZRJFAPSA-N 0 1 388.515 3.221 20 0 GGADMN c1sc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826521807 1429318866 /nfs/dbraw/zinc/31/88/66/1429318866.db2.gz ZFOZMZNKNYZBAM-FXAWDEMLSA-N 0 1 394.548 3.415 20 0 GGADMN c1sc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826521807 1429318872 /nfs/dbraw/zinc/31/88/72/1429318872.db2.gz ZFOZMZNKNYZBAM-FXAWDEMLSA-N 0 1 394.548 3.415 20 0 GGADMN c1sc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826521807 1429318877 /nfs/dbraw/zinc/31/88/77/1429318877.db2.gz ZFOZMZNKNYZBAM-FXAWDEMLSA-N 0 1 394.548 3.415 20 0 GGADMN Cc1cncc(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000179299154 1429319603 /nfs/dbraw/zinc/31/96/03/1429319603.db2.gz FHKPZUFMGGYDTC-MRXNPFEDSA-N 0 1 380.492 3.005 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826191369 1429320054 /nfs/dbraw/zinc/32/00/54/1429320054.db2.gz FBOOKRKWUYMYKW-OAHLLOKOSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826191369 1429320057 /nfs/dbraw/zinc/32/00/57/1429320057.db2.gz FBOOKRKWUYMYKW-OAHLLOKOSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826191369 1429320061 /nfs/dbraw/zinc/32/00/61/1429320061.db2.gz FBOOKRKWUYMYKW-OAHLLOKOSA-N 0 1 381.480 3.195 20 0 GGADMN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000825976594 1429324133 /nfs/dbraw/zinc/32/41/33/1429324133.db2.gz MWZHQIRXCZJGMA-MRXNPFEDSA-N 0 1 378.263 3.339 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cccn2Cc2cccs2)CCN1CCOC ZINC000179319729 1429328128 /nfs/dbraw/zinc/32/81/28/1429328128.db2.gz POPVPSFSWPRVFE-KRWDZBQOSA-N 0 1 375.538 3.171 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(C)nc3onc(C(C)C)c32)CCN1CCOC ZINC000179318086 1429326586 /nfs/dbraw/zinc/32/65/86/1429326586.db2.gz RLINVJDTEPDJBN-MRXNPFEDSA-N 0 1 388.512 3.228 20 0 GGADMN CN1CC[C@@H](CNC(=O)[C@@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179318908 1429327333 /nfs/dbraw/zinc/32/73/33/1429327333.db2.gz PLJLYNPBAAAIKU-SNRMKQJTSA-N 0 1 376.859 3.322 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820703300 1429329089 /nfs/dbraw/zinc/32/90/89/1429329089.db2.gz DPFCMBNGSUVRGP-KGLIPLIRSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820703300 1429329095 /nfs/dbraw/zinc/32/90/95/1429329095.db2.gz DPFCMBNGSUVRGP-KGLIPLIRSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820703300 1429329100 /nfs/dbraw/zinc/32/91/00/1429329100.db2.gz DPFCMBNGSUVRGP-KGLIPLIRSA-N 0 1 375.908 3.006 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179327554 1429329796 /nfs/dbraw/zinc/32/97/96/1429329796.db2.gz WZWVJSUNHJMIQI-MRXNPFEDSA-N 0 1 396.495 3.232 20 0 GGADMN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000179330232 1429330894 /nfs/dbraw/zinc/33/08/94/1429330894.db2.gz GJHDFXDEDUQFFO-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN CSc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2ccccn21 ZINC000179333461 1429332791 /nfs/dbraw/zinc/33/27/91/1429332791.db2.gz PXPXDNJRKLRKNC-CYBMUJFWSA-N 0 1 382.493 3.072 20 0 GGADMN O=C(C=Cc1cnn(-c2ccccc2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179335111 1429332537 /nfs/dbraw/zinc/33/25/37/1429332537.db2.gz NOUUVEZQTFYVJN-MZEUMTGBSA-N 0 1 388.475 3.287 20 0 GGADMN O=C(COc1ccc2c(c1)CCCC2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179336427 1429333100 /nfs/dbraw/zinc/33/31/00/1429333100.db2.gz YLSBIGWXOCVFNG-GOSISDBHSA-N 0 1 380.492 3.346 20 0 GGADMN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179337722 1429333853 /nfs/dbraw/zinc/33/38/53/1429333853.db2.gz HDFNSXBGOYDCFJ-MRXNPFEDSA-N 0 1 389.459 3.057 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1)C1CC1 ZINC000179337058 1429334053 /nfs/dbraw/zinc/33/40/53/1429334053.db2.gz AVYMGXVUZVZERD-MRXNPFEDSA-N 0 1 379.464 3.050 20 0 GGADMN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179340121 1429334665 /nfs/dbraw/zinc/33/46/65/1429334665.db2.gz FPZIGLFAHILYKZ-GOSISDBHSA-N 0 1 390.491 3.207 20 0 GGADMN CC(C)n1ncc2cc(CN3CCC[C@H](C(=O)NCC4CC4)C3)c(Cl)nc21 ZINC000179341011 1429335344 /nfs/dbraw/zinc/33/53/44/1429335344.db2.gz LAZMREODIFJNIA-HNNXBMFYSA-N 0 1 389.931 3.404 20 0 GGADMN CC(C)n1ncc2cc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)c(Cl)nc21 ZINC000179341020 1429335470 /nfs/dbraw/zinc/33/54/70/1429335470.db2.gz LAZMREODIFJNIA-OAHLLOKOSA-N 0 1 389.931 3.404 20 0 GGADMN CCOc1c(Cl)cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1OC ZINC000179340948 1429335527 /nfs/dbraw/zinc/33/55/27/1429335527.db2.gz CWGWKCPOSPMYDI-INIZCTEOSA-N 0 1 380.916 3.486 20 0 GGADMN O=C(CSc1ccc(F)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179351867 1429339948 /nfs/dbraw/zinc/33/99/48/1429339948.db2.gz SEXZFEYUTQPJSV-LBPRGKRZSA-N 0 1 378.448 3.459 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179358862 1429342469 /nfs/dbraw/zinc/34/24/69/1429342469.db2.gz GSZVYFHMYOVWOW-CYBMUJFWSA-N 0 1 395.385 3.038 20 0 GGADMN CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000179353087 1429340528 /nfs/dbraw/zinc/34/05/28/1429340528.db2.gz PSEJQLZVBDSRKJ-QGZVFWFLSA-N 0 1 382.512 3.333 20 0 GGADMN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353927 1429340558 /nfs/dbraw/zinc/34/05/58/1429340558.db2.gz ZYVROGCVENDBMU-CQSZACIVSA-N 0 1 378.432 3.117 20 0 GGADMN CCCN(CC)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000179353075 1429340638 /nfs/dbraw/zinc/34/06/38/1429340638.db2.gz PSEJQLZVBDSRKJ-KRWDZBQOSA-N 0 1 382.512 3.333 20 0 GGADMN COc1ccc(OC)c(CCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179359020 1429342607 /nfs/dbraw/zinc/34/26/07/1429342607.db2.gz JXVHANBVWZVPQE-MRXNPFEDSA-N 0 1 384.480 3.038 20 0 GGADMN COc1ccc(C(=O)N2CCN(C[C@@H]3CCC[C@@H](C)C3)CC2)c(OC)c1OC ZINC000179357695 1429342619 /nfs/dbraw/zinc/34/26/19/1429342619.db2.gz WVGNNRACMXHLNC-IAGOWNOFSA-N 0 1 390.524 3.297 20 0 GGADMN CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179345962 1429337567 /nfs/dbraw/zinc/33/75/67/1429337567.db2.gz DLEOBUWATVCWOC-OAHLLOKOSA-N 0 1 378.480 3.000 20 0 GGADMN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179346990 1429337816 /nfs/dbraw/zinc/33/78/16/1429337816.db2.gz CPIXSPQABGALAP-YOEHRIQHSA-N 0 1 382.464 3.058 20 0 GGADMN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179346999 1429338032 /nfs/dbraw/zinc/33/80/32/1429338032.db2.gz CPIXSPQABGALAP-PBHICJAKSA-N 0 1 382.464 3.058 20 0 GGADMN COc1ccc(OCCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179348705 1429338257 /nfs/dbraw/zinc/33/82/57/1429338257.db2.gz PMVGVBQWUTZILB-INIZCTEOSA-N 0 1 384.480 3.256 20 0 GGADMN CC(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179349740 1429339028 /nfs/dbraw/zinc/33/90/28/1429339028.db2.gz PSBIFSVYSPGYRL-INIZCTEOSA-N 0 1 381.480 3.296 20 0 GGADMN O=C(CCc1nnc(C2CCCC2)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179360369 1429343167 /nfs/dbraw/zinc/34/31/67/1429343167.db2.gz AMOPVHHMCYEAPY-OAHLLOKOSA-N 0 1 384.484 3.062 20 0 GGADMN Cc1ccc(C2(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)CCOCC2)cc1 ZINC000179359910 1429343523 /nfs/dbraw/zinc/34/35/23/1429343523.db2.gz WJQPHNOCIHHGPI-SFHVURJKSA-N 0 1 394.519 3.445 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000179363589 1429344475 /nfs/dbraw/zinc/34/44/75/1429344475.db2.gz JHRFHRHQANGDCG-OAQYLSRUSA-N 0 1 395.503 3.026 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179362539 1429344853 /nfs/dbraw/zinc/34/48/53/1429344853.db2.gz FLXUEMHJMSKWEN-INIZCTEOSA-N 0 1 382.464 3.060 20 0 GGADMN CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179363760 1429345506 /nfs/dbraw/zinc/34/55/06/1429345506.db2.gz OQBXLNOFLDTZJJ-YPMHNXCESA-N 0 1 375.498 3.174 20 0 GGADMN CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179363769 1429345633 /nfs/dbraw/zinc/34/56/33/1429345633.db2.gz OQBXLNOFLDTZJJ-AAEUAGOBSA-N 0 1 375.498 3.174 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000179366508 1429346520 /nfs/dbraw/zinc/34/65/20/1429346520.db2.gz TXTKODFDWHXJBH-YJBOKZPZSA-N 0 1 381.900 3.483 20 0 GGADMN O=C(c1ccc(N2CCCC2)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179366110 1429346598 /nfs/dbraw/zinc/34/65/98/1429346598.db2.gz YQKLSLCKUMGXLH-MRXNPFEDSA-N 0 1 383.471 3.441 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179366527 1429346725 /nfs/dbraw/zinc/34/67/25/1429346725.db2.gz TXTKODFDWHXJBH-QAPCUYQASA-N 0 1 381.900 3.483 20 0 GGADMN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179366551 1429346971 /nfs/dbraw/zinc/34/69/71/1429346971.db2.gz FPGGYIAKGBPUNI-CYBMUJFWSA-N 0 1 395.385 3.038 20 0 GGADMN CN1CC[C@H](CNC(=O)NCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179372173 1429349158 /nfs/dbraw/zinc/34/91/58/1429349158.db2.gz WAGQAPMORQIEFF-QAPCUYQASA-N 0 1 383.895 3.198 20 0 GGADMN CCOC(=O)C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(F)cc1 ZINC000179381810 1429351738 /nfs/dbraw/zinc/35/17/38/1429351738.db2.gz RPXGOXMSEOOLOB-QGZVFWFLSA-N 0 1 382.395 3.035 20 0 GGADMN CCOC(=O)C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(F)cc1 ZINC000179381799 1429352113 /nfs/dbraw/zinc/35/21/13/1429352113.db2.gz RPXGOXMSEOOLOB-KRWDZBQOSA-N 0 1 382.395 3.035 20 0 GGADMN CCOc1cc(/C=C/C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)ccc1O ZINC000179396327 1429358231 /nfs/dbraw/zinc/35/82/31/1429358231.db2.gz WUTYLWAYSHLSDU-RDELFYGPSA-N 0 1 384.476 3.232 20 0 GGADMN Cc1ccc(Cc2nc(C(=O)N3CCN(CC4CCOCC4)CC3)cs2)cc1 ZINC000179401573 1429360662 /nfs/dbraw/zinc/36/06/62/1429360662.db2.gz NQYQFTVLENFUKT-UHFFFAOYSA-N 0 1 399.560 3.227 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)c(C)n2n1 ZINC000179417991 1429366672 /nfs/dbraw/zinc/36/66/72/1429366672.db2.gz CRVDBPOCESRQDG-UTKZUKDTSA-N 0 1 391.519 3.230 20 0 GGADMN CCCC(=O)Nc1ccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000821008181 1429369889 /nfs/dbraw/zinc/36/98/89/1429369889.db2.gz HTCBDBKLJCHNPD-UHFFFAOYSA-N 0 1 387.447 3.188 20 0 GGADMN O=C1[C@H](NCc2cccc3nccn32)CCN1c1cccc(OC(F)(F)F)c1 ZINC000179426134 1429370845 /nfs/dbraw/zinc/37/08/45/1429370845.db2.gz HCBNPLKGEFHCKU-MRXNPFEDSA-N 0 1 390.365 3.128 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCCC3(C2)OCCO3)c1 ZINC000179429643 1429373244 /nfs/dbraw/zinc/37/32/44/1429373244.db2.gz JJHANFRBXGIQPS-UHFFFAOYSA-N 0 1 380.488 3.298 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000737033669 1429378789 /nfs/dbraw/zinc/37/87/89/1429378789.db2.gz WZIOWLOCYFODNI-PBHICJAKSA-N 0 1 397.454 3.271 20 0 GGADMN CC1(CNC(=O)NC2CCN(Cc3ccncc3)CC2)Cc2ccccc2C1 ZINC000179444567 1429379138 /nfs/dbraw/zinc/37/91/38/1429379138.db2.gz RXKFXQKCDSIXSZ-UHFFFAOYSA-N 0 1 378.520 3.150 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618221 1429381447 /nfs/dbraw/zinc/38/14/47/1429381447.db2.gz NIEYVJCWPZXQAZ-CQSZACIVSA-N 0 1 376.464 3.456 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)c(C)n2n1 ZINC000179453008 1429381633 /nfs/dbraw/zinc/38/16/33/1429381633.db2.gz AUCZZLQVIKGYQC-OCCSQVGLSA-N 0 1 385.418 3.080 20 0 GGADMN CCn1cc(C(=O)C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cn1 ZINC000179453043 1429381765 /nfs/dbraw/zinc/38/17/65/1429381765.db2.gz UHJYWFJMJOPJKK-UHFFFAOYSA-N 0 1 386.415 3.177 20 0 GGADMN CCn1cc(C(=O)C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cn1 ZINC000179453043 1429381771 /nfs/dbraw/zinc/38/17/71/1429381771.db2.gz UHJYWFJMJOPJKK-UHFFFAOYSA-N 0 1 386.415 3.177 20 0 GGADMN Cc1cccc([C@H](NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c2ccccn2)c1 ZINC000179458037 1429382970 /nfs/dbraw/zinc/38/29/70/1429382970.db2.gz OVEVUOYPAPKJCW-IRLDBZIGSA-N 0 1 396.535 3.135 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 ZINC000179473699 1429386978 /nfs/dbraw/zinc/38/69/78/1429386978.db2.gz XUIRPNUNIGCABS-WBVHZDCISA-N 0 1 392.286 3.494 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000179465461 1429384886 /nfs/dbraw/zinc/38/48/86/1429384886.db2.gz DCKXROSTRRQIGZ-HNNXBMFYSA-N 0 1 383.496 3.154 20 0 GGADMN CC(C)Cn1ncc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C1CC1 ZINC000179464575 1429384949 /nfs/dbraw/zinc/38/49/49/1429384949.db2.gz UYRBVUPIDFJPNI-INIZCTEOSA-N 0 1 382.512 3.432 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000179465467 1429385151 /nfs/dbraw/zinc/38/51/51/1429385151.db2.gz DCKXROSTRRQIGZ-OAHLLOKOSA-N 0 1 383.496 3.154 20 0 GGADMN CCCN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179472730 1429387089 /nfs/dbraw/zinc/38/70/89/1429387089.db2.gz UFDSZZVEUBGKBS-KRWDZBQOSA-N 0 1 399.495 3.333 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 ZINC000179473684 1429386849 /nfs/dbraw/zinc/38/68/49/1429386849.db2.gz XUIRPNUNIGCABS-RDJZCZTQSA-N 0 1 392.286 3.494 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)[C@H]1c1ccccc1 ZINC000179476605 1429387970 /nfs/dbraw/zinc/38/79/70/1429387970.db2.gz XUVUIMHHIQPWAD-WOJBJXKFSA-N 0 1 395.503 3.364 20 0 GGADMN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179477798 1429388319 /nfs/dbraw/zinc/38/83/19/1429388319.db2.gz HOZFFZLGIUHYDH-YLJYHZDGSA-N 0 1 399.466 3.113 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179478026 1429388639 /nfs/dbraw/zinc/38/86/39/1429388639.db2.gz DFHLKAUKLKZUIO-LEWJYISDSA-N 0 1 395.503 3.222 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(F)c1 ZINC000179479950 1429389239 /nfs/dbraw/zinc/38/92/39/1429389239.db2.gz CAOPYLVKBKOGLE-HNNXBMFYSA-N 0 1 376.472 3.083 20 0 GGADMN CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000179496547 1429395204 /nfs/dbraw/zinc/39/52/04/1429395204.db2.gz JZOUMTNGBYIFDZ-INIZCTEOSA-N 0 1 390.892 3.335 20 0 GGADMN Fc1ccc(OCc2noc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1 ZINC000179492283 1429393230 /nfs/dbraw/zinc/39/32/30/1429393230.db2.gz NCACLINNSYXIDX-CQSZACIVSA-N 0 1 398.442 3.163 20 0 GGADMN Fc1ccc(OCc2noc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 ZINC000179492283 1429393238 /nfs/dbraw/zinc/39/32/38/1429393238.db2.gz NCACLINNSYXIDX-CQSZACIVSA-N 0 1 398.442 3.163 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccnc(OCC(F)F)c2)CC1 ZINC000179499693 1429397171 /nfs/dbraw/zinc/39/71/71/1429397171.db2.gz WAQCBLOJVLRUTH-AWEZNQCLSA-N 0 1 390.434 3.076 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CCCN1c1ccccc1F ZINC000179501652 1429398220 /nfs/dbraw/zinc/39/82/20/1429398220.db2.gz LEKFMUDVXOYKAH-YJBOKZPZSA-N 0 1 383.471 3.196 20 0 GGADMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179504855 1429399511 /nfs/dbraw/zinc/39/95/11/1429399511.db2.gz XIBAACZEUVGJKQ-PBHICJAKSA-N 0 1 385.487 3.048 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179507500 1429400916 /nfs/dbraw/zinc/40/09/16/1429400916.db2.gz XTDSVZZGSYXEPN-AAEUAGOBSA-N 0 1 375.423 3.167 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179507500 1429400920 /nfs/dbraw/zinc/40/09/20/1429400920.db2.gz XTDSVZZGSYXEPN-AAEUAGOBSA-N 0 1 375.423 3.167 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)n2)cc1 ZINC000179506663 1429400984 /nfs/dbraw/zinc/40/09/84/1429400984.db2.gz CSYPDSJYTSOINO-UHFFFAOYSA-N 0 1 377.383 3.061 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)c(F)c1 ZINC000179518700 1429407112 /nfs/dbraw/zinc/40/71/12/1429407112.db2.gz ZYNFDEXJAPOSFA-RTBURBONSA-N 0 1 395.425 3.394 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822345117 1429409091 /nfs/dbraw/zinc/40/90/91/1429409091.db2.gz FCNZBTUTDTYDIN-UHFFFAOYSA-N 0 1 391.454 3.407 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)C1 ZINC000821087356 1429413544 /nfs/dbraw/zinc/41/35/44/1429413544.db2.gz AFLRNYARQTUWOJ-MRXNPFEDSA-N 0 1 379.512 3.200 20 0 GGADMN CCC[N@H+](C)C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821087356 1429413545 /nfs/dbraw/zinc/41/35/45/1429413545.db2.gz AFLRNYARQTUWOJ-MRXNPFEDSA-N 0 1 379.512 3.200 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)C1 ZINC000821087356 1429413547 /nfs/dbraw/zinc/41/35/47/1429413547.db2.gz AFLRNYARQTUWOJ-MRXNPFEDSA-N 0 1 379.512 3.200 20 0 GGADMN c1ccc2c(c1)CC[C@H]([NH2+]C1CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC1)C2 ZINC000826523248 1429422193 /nfs/dbraw/zinc/42/21/93/1429422193.db2.gz GNKYISKYYLSIMR-GPJFCIFZSA-N 0 1 390.491 3.099 20 0 GGADMN COc1ccc([C@@H](C)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000179566323 1429437947 /nfs/dbraw/zinc/43/79/47/1429437947.db2.gz CPLZXVXGDRGYIB-SFHVURJKSA-N 0 1 397.519 3.206 20 0 GGADMN CCC[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)CCO1 ZINC000179561486 1429434832 /nfs/dbraw/zinc/43/48/32/1429434832.db2.gz QIUYZSRBFHNICX-FUHWJXTLSA-N 0 1 387.524 3.013 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H](C)c1ccccc1 ZINC000820411279 1429440301 /nfs/dbraw/zinc/44/03/01/1429440301.db2.gz HSWCQVACALKNCY-HZPDHXFCSA-N 0 1 377.496 3.012 20 0 GGADMN CC(C)(NCC(=O)Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 ZINC000179571331 1429441474 /nfs/dbraw/zinc/44/14/74/1429441474.db2.gz MBSOFNJLXKJWNI-UHFFFAOYSA-N 0 1 385.483 3.121 20 0 GGADMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CNC(C)(C)c1cccc(F)c1 ZINC000179570611 1429441818 /nfs/dbraw/zinc/44/18/18/1429441818.db2.gz MFNPLWJKICOZCU-UHFFFAOYSA-N 0 1 391.874 3.401 20 0 GGADMN CC(C)(NCC(=O)NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1 ZINC000179572519 1429442914 /nfs/dbraw/zinc/44/29/14/1429442914.db2.gz JBRBXLJYUKGOLP-UHFFFAOYSA-N 0 1 380.467 3.195 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179574496 1429443838 /nfs/dbraw/zinc/44/38/38/1429443838.db2.gz HVFBTFHMCYDISO-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000179576754 1429447162 /nfs/dbraw/zinc/44/71/62/1429447162.db2.gz QCKSYECVRJMXOH-ZIAGYGMSSA-N 0 1 398.450 3.129 20 0 GGADMN CC(C)(NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(F)c1 ZINC000179573843 1429444301 /nfs/dbraw/zinc/44/43/01/1429444301.db2.gz HUVFKRBWABEFBR-UHFFFAOYSA-N 0 1 397.494 3.203 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000179578902 1429449126 /nfs/dbraw/zinc/44/91/26/1429449126.db2.gz IFBGNZDJIIUUDL-CHWSQXEVSA-N 0 1 389.402 3.312 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1cccc(OC(F)F)c1 ZINC000179578877 1429449753 /nfs/dbraw/zinc/44/97/53/1429449753.db2.gz IFBGNZDJIIUUDL-OLZOCXBDSA-N 0 1 389.402 3.312 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)CCC2 ZINC000179585935 1429454058 /nfs/dbraw/zinc/45/40/58/1429454058.db2.gz AAABTEHESFBHEG-LJQANCHMSA-N 0 1 380.492 3.355 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000179586123 1429454447 /nfs/dbraw/zinc/45/44/47/1429454447.db2.gz FTLUOHPBQNQVGT-CHWSQXEVSA-N 0 1 383.439 3.486 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179594855 1429460872 /nfs/dbraw/zinc/46/08/72/1429460872.db2.gz GSWFUXJADOVOGC-ZDUSSCGKSA-N 0 1 391.418 3.327 20 0 GGADMN COc1cc(F)cc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000179595895 1429461238 /nfs/dbraw/zinc/46/12/38/1429461238.db2.gz HVKAXOBLMFMVRX-CQSZACIVSA-N 0 1 378.469 3.225 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000736478723 1429461210 /nfs/dbraw/zinc/46/12/10/1429461210.db2.gz BAIYZJTTXRFVPG-CQSZACIVSA-N 0 1 390.451 3.285 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000736478723 1429461214 /nfs/dbraw/zinc/46/12/14/1429461214.db2.gz BAIYZJTTXRFVPG-CQSZACIVSA-N 0 1 390.451 3.285 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000179596945 1429461654 /nfs/dbraw/zinc/46/16/54/1429461654.db2.gz JZGDGDJDJMXHAX-KRWDZBQOSA-N 0 1 385.483 3.194 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000179592500 1429458074 /nfs/dbraw/zinc/45/80/74/1429458074.db2.gz HDUYYGKYWJVJOA-UHFFFAOYSA-N 0 1 380.485 3.332 20 0 GGADMN Cc1cccc(C(C)(C)NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c1 ZINC000179591997 1429458283 /nfs/dbraw/zinc/45/82/83/1429458283.db2.gz GFRWIMSWCXWXAF-UHFFFAOYSA-N 0 1 396.459 3.455 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179593213 1429459738 /nfs/dbraw/zinc/45/97/38/1429459738.db2.gz CALSCKQKVRYNIT-CQSZACIVSA-N 0 1 378.419 3.306 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179598081 1429462589 /nfs/dbraw/zinc/46/25/89/1429462589.db2.gz CAAQQDQGEJFMSU-QWRGUYRKSA-N 0 1 390.390 3.135 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nn1 ZINC000179597318 1429462954 /nfs/dbraw/zinc/46/29/54/1429462954.db2.gz SUMANKDLEKRJTE-HNNXBMFYSA-N 0 1 389.463 3.108 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nn1 ZINC000179597318 1429462959 /nfs/dbraw/zinc/46/29/59/1429462959.db2.gz SUMANKDLEKRJTE-HNNXBMFYSA-N 0 1 389.463 3.108 20 0 GGADMN CC(C)(NCC(=O)Nc1ccccc1SCC(N)=O)c1cccc(Cl)c1 ZINC000179599892 1429463965 /nfs/dbraw/zinc/46/39/65/1429463965.db2.gz XORBWKBLNGUQCD-UHFFFAOYSA-N 0 1 391.924 3.381 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCN(CC(N)=O)Cc2ccccc2)CC1 ZINC000179611905 1429470268 /nfs/dbraw/zinc/47/02/68/1429470268.db2.gz QNVHVFPRPHIESR-UHFFFAOYSA-N 0 1 375.513 3.011 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000179620930 1429474316 /nfs/dbraw/zinc/47/43/16/1429474316.db2.gz FXFBRUHCBTZFTP-VDZJLULYSA-N 0 1 392.540 3.374 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179616406 1429472210 /nfs/dbraw/zinc/47/22/10/1429472210.db2.gz ZSSCQPDVCWRSRS-QWRGUYRKSA-N 0 1 390.390 3.135 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)N[C@@H]2CCOc3ccccc32)cc1OC ZINC000179617801 1429472937 /nfs/dbraw/zinc/47/29/37/1429472937.db2.gz ZTSJPPFGQYUYQC-MAUKXSAKSA-N 0 1 384.476 3.303 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)N[C@@H]2CCOc3ccccc32)cc1OC ZINC000179617786 1429473001 /nfs/dbraw/zinc/47/30/01/1429473001.db2.gz ZTSJPPFGQYUYQC-CRAIPNDOSA-N 0 1 384.476 3.303 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(-n2cncn2)c(C)c1 ZINC000179627209 1429477602 /nfs/dbraw/zinc/47/76/02/1429477602.db2.gz KTADUKIJBPQYIB-UHFFFAOYSA-N 0 1 393.491 3.435 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000179628797 1429478273 /nfs/dbraw/zinc/47/82/73/1429478273.db2.gz GXRMADAFUXYSEL-MRXNPFEDSA-N 0 1 386.492 3.126 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)NCCOc2cccc(C)c2)cc1OC ZINC000179633205 1429481480 /nfs/dbraw/zinc/48/14/80/1429481480.db2.gz IODHVIWASHNOHZ-QGZVFWFLSA-N 0 1 386.492 3.166 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000179633111 1429481498 /nfs/dbraw/zinc/48/14/98/1429481498.db2.gz ALSFNWWXQPCQCL-BEFAXECRSA-N 0 1 388.462 3.138 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000179633077 1429481689 /nfs/dbraw/zinc/48/16/89/1429481689.db2.gz ALSFNWWXQPCQCL-KXBFYZLASA-N 0 1 388.462 3.138 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](C)Cc3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000179634196 1429482518 /nfs/dbraw/zinc/48/25/18/1429482518.db2.gz SYMVNAYGVDYUJT-BMIGLBTASA-N 0 1 398.294 3.134 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](C)Cc3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000179634208 1429482619 /nfs/dbraw/zinc/48/26/19/1429482619.db2.gz SYMVNAYGVDYUJT-MEBBXXQBSA-N 0 1 398.294 3.134 20 0 GGADMN CC(C)Cc1nnc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179638888 1429484811 /nfs/dbraw/zinc/48/48/11/1429484811.db2.gz QHERUBIVYXBRQB-LBPRGKRZSA-N 0 1 375.502 3.144 20 0 GGADMN COc1c(C)cnc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1C ZINC000179652741 1429490760 /nfs/dbraw/zinc/49/07/60/1429490760.db2.gz UEPZQYJPYACBQY-INIZCTEOSA-N 0 1 383.492 3.215 20 0 GGADMN C/C(=C\c1ccccc1)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000179660784 1429495552 /nfs/dbraw/zinc/49/55/52/1429495552.db2.gz MQLLROIQLURDFM-NTCAYCPXSA-N 0 1 390.471 3.378 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1Cc1ccccc1 ZINC000179655406 1429492523 /nfs/dbraw/zinc/49/25/23/1429492523.db2.gz RGVXBFCPQBOBRI-OAQYLSRUSA-N 0 1 389.503 3.394 20 0 GGADMN Oc1c(Cl)cccc1CN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179655983 1429493373 /nfs/dbraw/zinc/49/33/73/1429493373.db2.gz LNQQDXFEQVMMQJ-UHFFFAOYSA-N 0 1 390.896 3.475 20 0 GGADMN [O-]c1c(Cl)cccc1C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179655983 1429493376 /nfs/dbraw/zinc/49/33/76/1429493376.db2.gz LNQQDXFEQVMMQJ-UHFFFAOYSA-N 0 1 390.896 3.475 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CCN1Cc1ccccc1 ZINC000179656336 1429493426 /nfs/dbraw/zinc/49/34/26/1429493426.db2.gz YCUVSBNGETVCAJ-OAQYLSRUSA-N 0 1 389.503 3.394 20 0 GGADMN CCC[C@@H]1CN(C(=O)CCSc2n[nH]c(C)n2)CCN1Cc1ccccc1 ZINC000179655838 1429493451 /nfs/dbraw/zinc/49/34/51/1429493451.db2.gz QBGVODJIQIPHEI-GOSISDBHSA-N 0 1 387.553 3.108 20 0 GGADMN C[C@@H](c1ccncc1)N(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000179668639 1429499170 /nfs/dbraw/zinc/49/91/70/1429499170.db2.gz YXDNCLFEQZYJHR-KRWDZBQOSA-N 0 1 384.549 3.262 20 0 GGADMN COCCOc1cccc(CNC(=O)CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000179670173 1429500138 /nfs/dbraw/zinc/50/01/38/1429500138.db2.gz GQWOUUMCQUAUAV-UHFFFAOYSA-N 0 1 388.895 3.260 20 0 GGADMN COc1cc(OC)cc(C(=O)N2CCN(Cc3cccc(Cl)c3O)CC2)c1 ZINC000179673991 1429501345 /nfs/dbraw/zinc/50/13/45/1429501345.db2.gz NLKLWIYKCJFIPJ-UHFFFAOYSA-N 0 1 390.867 3.021 20 0 GGADMN CC(=O)Nc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1F ZINC000179675789 1429502479 /nfs/dbraw/zinc/50/24/79/1429502479.db2.gz TXOLKJSIORQSHY-CYBMUJFWSA-N 0 1 386.431 3.191 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@@H]2CCCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179678019 1429503725 /nfs/dbraw/zinc/50/37/25/1429503725.db2.gz BCTKPYVIXWCPJW-RKVPGOIHSA-N 0 1 383.895 3.340 20 0 GGADMN O=C(Nc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1)C1CC1 ZINC000179679810 1429504382 /nfs/dbraw/zinc/50/43/82/1429504382.db2.gz LSIJMFJITAPCTQ-HNNXBMFYSA-N 0 1 394.479 3.442 20 0 GGADMN Cc1ccccc1N1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000179680857 1429504558 /nfs/dbraw/zinc/50/45/58/1429504558.db2.gz YBTCZPAFOVQRJN-UHFFFAOYSA-N 0 1 393.531 3.318 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cs1 ZINC000179691485 1429509102 /nfs/dbraw/zinc/50/91/02/1429509102.db2.gz IKRSLPOIAUNWST-QMMMGPOBSA-N 0 1 393.419 3.335 20 0 GGADMN C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000179692733 1429509649 /nfs/dbraw/zinc/50/96/49/1429509649.db2.gz HBEBYOSZNVZPJE-LJQANCHMSA-N 0 1 380.536 3.109 20 0 GGADMN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000179692721 1429509852 /nfs/dbraw/zinc/50/98/52/1429509852.db2.gz HBEBYOSZNVZPJE-IBGZPJMESA-N 0 1 380.536 3.109 20 0 GGADMN C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000179697324 1429511725 /nfs/dbraw/zinc/51/17/25/1429511725.db2.gz VJHDVWCCCHJWKM-MBSDFSHPSA-N 0 1 378.520 3.034 20 0 GGADMN O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179699961 1429512785 /nfs/dbraw/zinc/51/27/85/1429512785.db2.gz FSYKTOISBXLOKX-QGZVFWFLSA-N 0 1 384.505 3.179 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N[C@@H](C)C(C)C)ccc1OCc1ccncc1 ZINC000179702744 1429513986 /nfs/dbraw/zinc/51/39/86/1429513986.db2.gz SOPCLKYOUPIRHN-DLBZAZTESA-N 0 1 385.508 3.481 20 0 GGADMN CC(C)(C)C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC000179709850 1429516736 /nfs/dbraw/zinc/51/67/36/1429516736.db2.gz XAOBZTPSBPWKGX-KRWDZBQOSA-N 0 1 379.932 3.146 20 0 GGADMN C[C@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)Oc1ccccc1 ZINC000179705003 1429515200 /nfs/dbraw/zinc/51/52/00/1429515200.db2.gz CGIHQVSLGDRYCX-LLVKDONJSA-N 0 1 388.374 3.023 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCC2CCC2)ccc1OCc1ccncc1 ZINC000179706008 1429515377 /nfs/dbraw/zinc/51/53/77/1429515377.db2.gz YYXWSXWVSLKPBV-INIZCTEOSA-N 0 1 383.492 3.236 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCc2ccccc2C1 ZINC000179707028 1429516072 /nfs/dbraw/zinc/51/60/72/1429516072.db2.gz RYXARUVDSVBYMU-OAHLLOKOSA-N 0 1 398.413 3.455 20 0 GGADMN CC(=O)Nc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1C ZINC000179709479 1429516876 /nfs/dbraw/zinc/51/68/76/1429516876.db2.gz WFRRSDJHSYGZHH-OAHLLOKOSA-N 0 1 382.468 3.360 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(F)c(F)c1 ZINC000179713274 1429518542 /nfs/dbraw/zinc/51/85/42/1429518542.db2.gz FWEAREFWFSVCPM-HOTGVXAUSA-N 0 1 383.464 3.316 20 0 GGADMN CC[C@@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1OC(F)F ZINC000179715479 1429519164 /nfs/dbraw/zinc/51/91/64/1429519164.db2.gz JONHVMXMLCTLNH-OAHLLOKOSA-N 0 1 392.402 3.374 20 0 GGADMN O=C(Nc1cccnc1N1CCCC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179717340 1429519816 /nfs/dbraw/zinc/51/98/16/1429519816.db2.gz ORVGYOBSZLWQLJ-OAHLLOKOSA-N 0 1 381.484 3.089 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179717598 1429520365 /nfs/dbraw/zinc/52/03/65/1429520365.db2.gz ZFAAUGNNAIESCF-HNNXBMFYSA-N 0 1 383.452 3.189 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000179719032 1429520920 /nfs/dbraw/zinc/52/09/20/1429520920.db2.gz XWANYJYWFBJGTL-KOLCDFICSA-N 0 1 397.344 3.105 20 0 GGADMN COCCOc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C)c1 ZINC000179720122 1429521113 /nfs/dbraw/zinc/52/11/13/1429521113.db2.gz MKWHVQGMKHHWCP-MRXNPFEDSA-N 0 1 399.495 3.427 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2nncs2)ccc1OCc1ccccc1 ZINC000179710500 1429517427 /nfs/dbraw/zinc/51/74/27/1429517427.db2.gz IYWZQEFTQSGIQJ-CQSZACIVSA-N 0 1 398.488 3.415 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000179723346 1429522798 /nfs/dbraw/zinc/52/27/98/1429522798.db2.gz IRIUWXHFUNVNBQ-UHFFFAOYSA-N 0 1 375.780 3.435 20 0 GGADMN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(Cl)c1O ZINC000179724867 1429523404 /nfs/dbraw/zinc/52/34/04/1429523404.db2.gz YQEMINDKFXMNNN-KRWDZBQOSA-N 0 1 376.840 3.204 20 0 GGADMN CS[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179725864 1429523895 /nfs/dbraw/zinc/52/38/95/1429523895.db2.gz BNWRSOAKMMERSR-MWLCHTKSSA-N 0 1 382.436 3.229 20 0 GGADMN CCc1cccc(NC(=O)CN[C@@H](CC)c2ccccc2OCC(=O)N(C)C)c1 ZINC000179726042 1429523996 /nfs/dbraw/zinc/52/39/96/1429523996.db2.gz LXNLERYMOALWKX-FQEVSTJZSA-N 0 1 397.519 3.395 20 0 GGADMN CS[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179725841 1429524006 /nfs/dbraw/zinc/52/40/06/1429524006.db2.gz BNWRSOAKMMERSR-GXSJLCMTSA-N 0 1 382.436 3.229 20 0 GGADMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC000179732835 1429527685 /nfs/dbraw/zinc/52/76/85/1429527685.db2.gz KWCHUJRXXQWQCH-INIZCTEOSA-N 0 1 390.505 3.193 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc(C)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000179726309 1429524661 /nfs/dbraw/zinc/52/46/61/1429524661.db2.gz RLBSNFNXDQIPCM-LJQANCHMSA-N 0 1 397.519 3.450 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccccc1C)c1ccccc1OCC(=O)N(C)C ZINC000179726979 1429524678 /nfs/dbraw/zinc/52/46/78/1429524678.db2.gz SOUJBNLPYVJBSH-GOSISDBHSA-N 0 1 383.492 3.141 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(C)cc1C)c1ccccc1OCC(=O)N(C)C ZINC000179726296 1429525037 /nfs/dbraw/zinc/52/50/37/1429525037.db2.gz RLBSNFNXDQIPCM-IBGZPJMESA-N 0 1 397.519 3.450 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)Nc3ccc(C)nc3C)CC2)c1 ZINC000152302493 1422067044 /nfs/dbraw/zinc/06/70/44/1422067044.db2.gz YHZILAIVITZBJF-UHFFFAOYSA-N 0 1 381.524 3.341 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000152320695 1422071486 /nfs/dbraw/zinc/07/14/86/1422071486.db2.gz IZHOJLVYRIUJFU-UHFFFAOYSA-N 0 1 389.931 3.403 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc(C)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000179728005 1429525919 /nfs/dbraw/zinc/52/59/19/1429525919.db2.gz UIZNRGXKYSQWAJ-HXUWFJFHSA-N 0 1 397.519 3.450 20 0 GGADMN O=C(Nc1ccc(F)cc1)C1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000152340451 1422077170 /nfs/dbraw/zinc/07/71/70/1422077170.db2.gz JUGMXLLXOCQILW-UHFFFAOYSA-N 0 1 379.439 3.392 20 0 GGADMN CC[C@H](NCc1cnn(C)c1C(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000179730849 1429526485 /nfs/dbraw/zinc/52/64/85/1429526485.db2.gz YXYPXAUXYWRZPA-HNNXBMFYSA-N 0 1 398.429 3.147 20 0 GGADMN O=C(Nc1ccc(F)cc1)C1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000152345553 1422079214 /nfs/dbraw/zinc/07/92/14/1422079214.db2.gz BEWRLXRCEBOQGK-UHFFFAOYSA-N 0 1 379.439 3.392 20 0 GGADMN COC(=O)c1cc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c[nH]1 ZINC000152348125 1422079971 /nfs/dbraw/zinc/07/99/71/1422079971.db2.gz MPXBUPBGOZJFLV-UHFFFAOYSA-N 0 1 381.407 3.483 20 0 GGADMN CC(=O)c1ccc(NC(=O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179732033 1429527028 /nfs/dbraw/zinc/52/70/28/1429527028.db2.gz APORGPOHGOQPDM-QFIPXVFZSA-N 0 1 380.444 3.340 20 0 GGADMN CC(=O)c1ccc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179732021 1429527156 /nfs/dbraw/zinc/52/71/56/1429527156.db2.gz APORGPOHGOQPDM-JOCHJYFZSA-N 0 1 380.444 3.340 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1F ZINC000152401839 1422093709 /nfs/dbraw/zinc/09/37/09/1422093709.db2.gz RJJASLWHHMOOSI-IBGZPJMESA-N 0 1 390.455 3.149 20 0 GGADMN Cc1cc(NC(=O)C2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)no1 ZINC000152416605 1422097424 /nfs/dbraw/zinc/09/74/24/1422097424.db2.gz DAPFUJFCMXSDFJ-UHFFFAOYSA-N 0 1 397.410 3.003 20 0 GGADMN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)CC1(O)CCCC1 ZINC000152419355 1422098000 /nfs/dbraw/zinc/09/80/00/1422098000.db2.gz WDCSQYUPZYXDIX-UHFFFAOYSA-N 0 1 387.505 3.176 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000822486461 1429530099 /nfs/dbraw/zinc/53/00/99/1429530099.db2.gz KSVOBEPQQNBVSB-UHFFFAOYSA-N 0 1 379.493 3.145 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n[nH]1 ZINC000152428541 1422100695 /nfs/dbraw/zinc/10/06/95/1422100695.db2.gz HXKZEYZMVZHMRC-KKSFZXQISA-N 0 1 397.567 3.421 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(C)nc1C ZINC000152430600 1422101947 /nfs/dbraw/zinc/10/19/47/1422101947.db2.gz NNXNSWYFYGAMLW-UHFFFAOYSA-N 0 1 383.496 3.493 20 0 GGADMN Cc1cc(NC(=O)CN[C@H](CCCO)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000179737492 1429530417 /nfs/dbraw/zinc/53/04/17/1429530417.db2.gz WRVXUAPJKRPTFN-HXUWFJFHSA-N 0 1 396.466 3.362 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cnn(CC(F)(F)F)c3)[nH]2)c1 ZINC000152436805 1422103454 /nfs/dbraw/zinc/10/34/54/1422103454.db2.gz BJNDLKYVQCUVQY-UHFFFAOYSA-N 0 1 379.342 3.405 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1c[nH]nc1-c1ccccc1 ZINC000179737789 1429530715 /nfs/dbraw/zinc/53/07/15/1429530715.db2.gz POBFXCYWMHCHOO-UHFFFAOYSA-N 0 1 391.456 3.104 20 0 GGADMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000179739765 1429531229 /nfs/dbraw/zinc/53/12/29/1429531229.db2.gz JNHPMCLTBDABOA-IBGZPJMESA-N 0 1 383.492 3.467 20 0 GGADMN CN(CCNC(=O)NCc1nnc(-c2ccccc2)s1)Cc1ccc(F)cc1 ZINC000152484611 1422116319 /nfs/dbraw/zinc/11/63/19/1422116319.db2.gz JNXLJJRAMXDCSQ-UHFFFAOYSA-N 0 1 399.495 3.275 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)c1ccco1 ZINC000152485794 1422116951 /nfs/dbraw/zinc/11/69/51/1422116951.db2.gz UARJSHVPLKNSIX-GOSISDBHSA-N 0 1 386.496 3.494 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1C(=O)N(C)C ZINC000152491244 1422118708 /nfs/dbraw/zinc/11/87/08/1422118708.db2.gz KXLQKKKZCFEOCX-LJQANCHMSA-N 0 1 386.471 3.260 20 0 GGADMN O=C(CN[C@H](CCCO)c1ccccc1)NCCc1nc2ccccc2s1 ZINC000179741819 1429532002 /nfs/dbraw/zinc/53/20/02/1429532002.db2.gz SPFXCQJHZKWQNS-QGZVFWFLSA-N 0 1 383.517 3.058 20 0 GGADMN Cc1cc(N(C)C)ccc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826268949 1429532579 /nfs/dbraw/zinc/53/25/79/1429532579.db2.gz URNIBACCGPOCGL-UHFFFAOYSA-N 0 1 391.523 3.318 20 0 GGADMN COc1cc(OC)c(NC(=O)CN[C@@H](CCCO)c2ccccc2)cc1Cl ZINC000179742001 1429532642 /nfs/dbraw/zinc/53/26/42/1429532642.db2.gz FJDDKDVXCLKITE-INIZCTEOSA-N 0 1 392.883 3.399 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000152532871 1422133536 /nfs/dbraw/zinc/13/35/36/1422133536.db2.gz SJJDLWSBOZIXPF-AWEZNQCLSA-N 0 1 388.487 3.498 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000152556153 1422142668 /nfs/dbraw/zinc/14/26/68/1422142668.db2.gz QUQFKBAKQORPBD-FQEVSTJZSA-N 0 1 395.547 3.202 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](CCCO)c2ccccc2)n(-c2ccccc2F)n1 ZINC000179733819 1429528260 /nfs/dbraw/zinc/52/82/60/1429528260.db2.gz APIHTVYWMJSASD-IBGZPJMESA-N 0 1 396.466 3.362 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000152569188 1422148078 /nfs/dbraw/zinc/14/80/78/1422148078.db2.gz NPXOCESOBIKVMB-QGZVFWFLSA-N 0 1 384.480 3.226 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cnn1-c1ccccc1 ZINC000152577623 1422150429 /nfs/dbraw/zinc/15/04/29/1422150429.db2.gz RRJGNINXRXOYLS-UHFFFAOYSA-N 0 1 381.413 3.088 20 0 GGADMN c1ccc([C@H]2C[C@H]2C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826520791 1429528957 /nfs/dbraw/zinc/52/89/57/1429528957.db2.gz REMHSVZCOFIBLE-FCHUYYIVSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@H]2C[C@H]2C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520791 1429528959 /nfs/dbraw/zinc/52/89/59/1429528959.db2.gz REMHSVZCOFIBLE-FCHUYYIVSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@H]2C[C@H]2C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520791 1429528966 /nfs/dbraw/zinc/52/89/66/1429528966.db2.gz REMHSVZCOFIBLE-FCHUYYIVSA-N 0 1 388.519 3.178 20 0 GGADMN CC(C)(C)[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(F)cc1F ZINC000152591049 1422154442 /nfs/dbraw/zinc/15/44/42/1422154442.db2.gz FUEFUULWRXYWAK-KRWDZBQOSA-N 0 1 383.483 3.150 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccnn1Cc1cccs1 ZINC000179735504 1429529158 /nfs/dbraw/zinc/52/91/58/1429529158.db2.gz YXQGIEZYCOCNAS-SFHVURJKSA-N 0 1 384.505 3.035 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c(C)c1 ZINC000152612451 1422164949 /nfs/dbraw/zinc/16/49/49/1422164949.db2.gz AOVAOGJYWIRNHS-UHFFFAOYSA-N 0 1 375.425 3.438 20 0 GGADMN O=S(=O)(Nc1ccc(Br)nc1)c1ccc(F)c2ncccc12 ZINC000152616409 1422167612 /nfs/dbraw/zinc/16/76/12/1422167612.db2.gz MQUXHURSCDKJHT-UHFFFAOYSA-N 0 1 382.214 3.332 20 0 GGADMN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(=O)[nH]1 ZINC000152620547 1422171489 /nfs/dbraw/zinc/17/14/89/1422171489.db2.gz GDCKICXQLNIKAP-FZKQIMNGSA-N 0 1 377.847 3.311 20 0 GGADMN CN1CCCc2ccc(S(=O)(=O)Nc3ccc(Br)nc3)cc21 ZINC000152624359 1422174784 /nfs/dbraw/zinc/17/47/84/1422174784.db2.gz FJAUAZRMLYROMW-UHFFFAOYSA-N 0 1 382.283 3.027 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC000179747666 1429535395 /nfs/dbraw/zinc/53/53/95/1429535395.db2.gz IIHZONHPMPDTSY-KRWDZBQOSA-N 0 1 390.505 3.275 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCc3csc4ccccc34)C2)CC1 ZINC000152627868 1422176862 /nfs/dbraw/zinc/17/68/62/1422176862.db2.gz LIZFYGPRXKJSAH-LJQANCHMSA-N 0 1 385.577 3.462 20 0 GGADMN Cc1cc(CNCc2cc3c(cc2OC(F)F)OCO3)ccc1-n1cncn1 ZINC000152650962 1422189092 /nfs/dbraw/zinc/18/90/92/1422189092.db2.gz SETYMOQHHSGUBY-UHFFFAOYSA-N 0 1 388.374 3.196 20 0 GGADMN O=S(=O)(Nc1ccc(Br)nc1)c1cccc(Br)c1 ZINC000152656901 1422192823 /nfs/dbraw/zinc/19/28/23/1422192823.db2.gz NDYBUCZSUVDQIW-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736290217 1429539762 /nfs/dbraw/zinc/53/97/62/1429539762.db2.gz QFNYPRZLPXJQQC-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736290217 1429539767 /nfs/dbraw/zinc/53/97/67/1429539767.db2.gz QFNYPRZLPXJQQC-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736290217 1429539773 /nfs/dbraw/zinc/53/97/73/1429539773.db2.gz QFNYPRZLPXJQQC-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(N(C)C)n3)cc2)C[C@H](C)O1 ZINC000152698080 1422213722 /nfs/dbraw/zinc/21/37/22/1422213722.db2.gz YRQNDCVIFXDYQU-CALCHBBNSA-N 0 1 397.523 3.079 20 0 GGADMN CSCC[C@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152715337 1422220346 /nfs/dbraw/zinc/22/03/46/1422220346.db2.gz IIQOZDNJCBMEIP-GJZGRUSLSA-N 0 1 382.549 3.079 20 0 GGADMN CSCC[C@@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152715689 1422221300 /nfs/dbraw/zinc/22/13/00/1422221300.db2.gz IIQOZDNJCBMEIP-HUUCEWRRSA-N 0 1 382.549 3.079 20 0 GGADMN CCCC[C@H](COC)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152716343 1422221405 /nfs/dbraw/zinc/22/14/05/1422221405.db2.gz VOJTWHWMHBEONN-FUHWJXTLSA-N 0 1 394.535 3.143 20 0 GGADMN CCCC[C@H](COC)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152716567 1422221733 /nfs/dbraw/zinc/22/17/33/1422221733.db2.gz VOJTWHWMHBEONN-SJLPKXTDSA-N 0 1 394.535 3.143 20 0 GGADMN CSCC[C@@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152715427 1422222292 /nfs/dbraw/zinc/22/22/92/1422222292.db2.gz IIQOZDNJCBMEIP-CABCVRRESA-N 0 1 382.549 3.079 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@H](C)CCSC)CC1 ZINC000152717820 1422223602 /nfs/dbraw/zinc/22/36/02/1422223602.db2.gz IUWRNSJNKQIVEB-CVEARBPZSA-N 0 1 396.576 3.469 20 0 GGADMN C[C@@H](NCC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC000152725124 1422225568 /nfs/dbraw/zinc/22/55/68/1422225568.db2.gz VLKGQSLLDAAGBC-CJNGLKHVSA-N 0 1 394.393 3.312 20 0 GGADMN COc1cc(C)c(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000152735164 1422230289 /nfs/dbraw/zinc/23/02/89/1422230289.db2.gz PSBMBMYDHLFTBW-MRXNPFEDSA-N 0 1 377.506 3.273 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000179754576 1429540447 /nfs/dbraw/zinc/54/04/47/1429540447.db2.gz WPKXSKNPLINZGK-KRWDZBQOSA-N 0 1 386.536 3.466 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000152736326 1422230880 /nfs/dbraw/zinc/23/08/80/1422230880.db2.gz CBNAQQXRTFBLAU-IPELMVKDSA-N 0 1 394.943 3.111 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000152736503 1422231166 /nfs/dbraw/zinc/23/11/66/1422231166.db2.gz PXWQAEBHEFGVDU-ZDUSSCGKSA-N 0 1 398.322 3.415 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000179754593 1429540638 /nfs/dbraw/zinc/54/06/38/1429540638.db2.gz WPKXSKNPLINZGK-QGZVFWFLSA-N 0 1 386.536 3.466 20 0 GGADMN CCOC(=O)c1oc2ccccc2c1CN1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000152759932 1422238833 /nfs/dbraw/zinc/23/88/33/1422238833.db2.gz FBOAZNZMOBFWSE-RBUKOAKNSA-N 0 1 387.476 3.361 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@@H]2C1)NCc1cccc(COCc2ccco2)c1 ZINC000152761361 1422239618 /nfs/dbraw/zinc/23/96/18/1422239618.db2.gz UGWJUGQGKGCXBR-IFMALSPDSA-N 0 1 398.503 3.114 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)NCc1cccc(COCc2ccco2)c1 ZINC000152761486 1422239906 /nfs/dbraw/zinc/23/99/06/1422239906.db2.gz UGWJUGQGKGCXBR-IRLDBZIGSA-N 0 1 398.503 3.114 20 0 GGADMN O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cccc2nc[nH]c21 ZINC000152763657 1422240505 /nfs/dbraw/zinc/24/05/05/1422240505.db2.gz IOXMPWNLUJCSHO-UHFFFAOYSA-N 0 1 383.415 3.246 20 0 GGADMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179755286 1429541187 /nfs/dbraw/zinc/54/11/87/1429541187.db2.gz AAMNLSXDNFCXET-CJNGLKHVSA-N 0 1 382.464 3.323 20 0 GGADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179755264 1429541481 /nfs/dbraw/zinc/54/14/81/1429541481.db2.gz AAMNLSXDNFCXET-BBRMVZONSA-N 0 1 382.464 3.323 20 0 GGADMN CCOc1ccccc1C(=O)NCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000152781877 1422246344 /nfs/dbraw/zinc/24/63/44/1422246344.db2.gz PRHGOMDMUJLKBR-UHFFFAOYSA-N 0 1 388.374 3.268 20 0 GGADMN O=C(CC1CCN(C[C@H](O)c2ccccc2Br)CC1)N1CCCC1 ZINC000152787222 1422248546 /nfs/dbraw/zinc/24/85/46/1422248546.db2.gz HBQINTQSAWIPBA-SFHVURJKSA-N 0 1 395.341 3.207 20 0 GGADMN O=C(CCN1CCc2c(F)cccc2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000152799485 1422252354 /nfs/dbraw/zinc/25/23/54/1422252354.db2.gz ATJSOTVCTYDGIN-UHFFFAOYSA-N 0 1 381.451 3.105 20 0 GGADMN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000152811142 1422257176 /nfs/dbraw/zinc/25/71/76/1422257176.db2.gz PBGNZRUOERNUFT-QZTJIDSGSA-N 0 1 395.507 3.174 20 0 GGADMN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000152811142 1422257181 /nfs/dbraw/zinc/25/71/81/1422257181.db2.gz PBGNZRUOERNUFT-QZTJIDSGSA-N 0 1 395.507 3.174 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)NCc2ccccc2C)CC1 ZINC000179757119 1429542903 /nfs/dbraw/zinc/54/29/03/1429542903.db2.gz ZRSGZMRXDYWJGW-UHFFFAOYSA-N 0 1 382.504 3.301 20 0 GGADMN c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000826522048 1429543148 /nfs/dbraw/zinc/54/31/48/1429543148.db2.gz JWYCEPVVGBHTNT-OAQYLSRUSA-N 0 1 385.475 3.279 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC000152837227 1422266367 /nfs/dbraw/zinc/26/63/67/1422266367.db2.gz FCJIVLJFGNPGBW-UHFFFAOYSA-N 0 1 394.450 3.244 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1nn(-c3ccccc3)c3c1CCC3)CC2 ZINC000152841430 1422267682 /nfs/dbraw/zinc/26/76/82/1422267682.db2.gz JWGZPTMYQSXRKG-YADHBBJMSA-N 0 1 381.520 3.113 20 0 GGADMN Cc1cc(C)n(CCCNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000152844962 1422268904 /nfs/dbraw/zinc/26/89/04/1422268904.db2.gz GMMUYCVEBQYAQV-FQEVSTJZSA-N 0 1 383.540 3.196 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000179758533 1429543480 /nfs/dbraw/zinc/54/34/80/1429543480.db2.gz VEGWZNYIJHMNEY-FOIQADDNSA-N 0 1 393.487 3.326 20 0 GGADMN CCc1nn(C)c(CC)c1CNC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000152852676 1422271183 /nfs/dbraw/zinc/27/11/83/1422271183.db2.gz BUJFKUWVVYRKQK-UHFFFAOYSA-N 0 1 386.565 3.024 20 0 GGADMN CC(C)c1ccc(OCCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000152861087 1422274370 /nfs/dbraw/zinc/27/43/70/1422274370.db2.gz XGWASPVELJJENH-UHFFFAOYSA-N 0 1 383.492 3.378 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000152865837 1422275783 /nfs/dbraw/zinc/27/57/83/1422275783.db2.gz FQDGHMPTTGBDER-SFHVURJKSA-N 0 1 375.513 3.375 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000826248598 1429544117 /nfs/dbraw/zinc/54/41/17/1429544117.db2.gz OTBZMGYIIYOTTA-YJBOKZPZSA-N 0 1 396.520 3.050 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000826248598 1429544122 /nfs/dbraw/zinc/54/41/22/1429544122.db2.gz OTBZMGYIIYOTTA-YJBOKZPZSA-N 0 1 396.520 3.050 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000826248598 1429544123 /nfs/dbraw/zinc/54/41/23/1429544123.db2.gz OTBZMGYIIYOTTA-YJBOKZPZSA-N 0 1 396.520 3.050 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)cc1 ZINC000179759166 1429544193 /nfs/dbraw/zinc/54/41/93/1429544193.db2.gz DACFWIDCYWQWRK-UHFFFAOYSA-N 0 1 388.367 3.229 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000152879217 1422280987 /nfs/dbraw/zinc/28/09/87/1422280987.db2.gz VPIIQFIPBBMDLN-ILRDRHFLSA-N 0 1 394.943 3.158 20 0 GGADMN CC(C)c1nnc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000179760262 1429544737 /nfs/dbraw/zinc/54/47/37/1429544737.db2.gz GOZOMJKLIXVFML-LBPRGKRZSA-N 0 1 387.509 3.299 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000152901673 1422289886 /nfs/dbraw/zinc/28/98/86/1422289886.db2.gz HEVOJGJMZVOTFL-CQSZACIVSA-N 0 1 382.443 3.408 20 0 GGADMN O=C(CN1CCN(c2ccnc3cc(F)ccc32)CC1)Nc1ccccc1F ZINC000152903968 1422290615 /nfs/dbraw/zinc/29/06/15/1422290615.db2.gz JNKSINGMXWVAAW-UHFFFAOYSA-N 0 1 382.414 3.274 20 0 GGADMN Cc1ccnc(-n2nccc2NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000152908244 1422291766 /nfs/dbraw/zinc/29/17/66/1422291766.db2.gz PJYZROPTGHTBHY-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N[C@@H](C)c1ccc3ccccc3c1)CC2 ZINC000152918334 1422295906 /nfs/dbraw/zinc/29/59/06/1422295906.db2.gz KUDMTYYBDSDELX-MTNREXPMSA-N 0 1 396.531 3.269 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000152922710 1422296675 /nfs/dbraw/zinc/29/66/75/1422296675.db2.gz IATSHVLAVAWQIW-ZLGUVYLKSA-N 0 1 382.504 3.419 20 0 GGADMN COc1c(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c(C)nn1C ZINC000152923217 1422297752 /nfs/dbraw/zinc/29/77/52/1422297752.db2.gz QQCOCWISKWHOPJ-UHFFFAOYSA-N 0 1 396.535 3.398 20 0 GGADMN CC[C@@H](CSc1ccccc1)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000152928875 1422299276 /nfs/dbraw/zinc/29/92/76/1422299276.db2.gz WUHFXZOBLWURQO-IBGZPJMESA-N 0 1 391.581 3.311 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2)N(C)C)cc1 ZINC000152940100 1422302914 /nfs/dbraw/zinc/30/29/14/1422302914.db2.gz RLXKYEAPDNUOJI-LJQANCHMSA-N 0 1 392.459 3.008 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@@H](CCCO)c2ccccc2)N(C)C)c1 ZINC000152944843 1422303371 /nfs/dbraw/zinc/30/33/71/1422303371.db2.gz LIDXPLRCENDCHB-LEWJYISDSA-N 0 1 385.508 3.111 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)N[C@@H](c1nccs1)c1ccccc1 ZINC000179762337 1429546323 /nfs/dbraw/zinc/54/63/23/1429546323.db2.gz MVYVUDCIXSLCJJ-PZJWPPBQSA-N 0 1 395.528 3.452 20 0 GGADMN COc1cc(CN(C)Cc2ccccc2N2CCOCC2)cc(OC)c1OC ZINC000179762972 1429546369 /nfs/dbraw/zinc/54/63/69/1429546369.db2.gz SSJPUKRNZSABDT-UHFFFAOYSA-N 0 1 386.492 3.181 20 0 GGADMN CC(=O)N1CC[C@@H](NCc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)C1 ZINC000152948136 1422304942 /nfs/dbraw/zinc/30/49/42/1422304942.db2.gz RKNZFJOPLHMVQG-MRXNPFEDSA-N 0 1 381.307 3.257 20 0 GGADMN CC[C@H](CSc1ccccc1)NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000152952514 1422305812 /nfs/dbraw/zinc/30/58/12/1422305812.db2.gz PUQBTYNUJCPTOI-QZTJIDSGSA-N 0 1 391.581 3.452 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)o1 ZINC000152953471 1422306664 /nfs/dbraw/zinc/30/66/64/1422306664.db2.gz PALXKBWPKYXOHA-QGZVFWFLSA-N 0 1 386.448 3.032 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1C ZINC000152957946 1422307859 /nfs/dbraw/zinc/30/78/59/1422307859.db2.gz ZNSLSNADHBCFDN-FQEVSTJZSA-N 0 1 394.581 3.193 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)N[C@H](c1nccs1)c1ccccc1 ZINC000179762213 1429546851 /nfs/dbraw/zinc/54/68/51/1429546851.db2.gz MVYVUDCIXSLCJJ-FPOVZHCZSA-N 0 1 395.528 3.452 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCOC4(CCCCC4)C3)n2)cc1 ZINC000152967996 1422311319 /nfs/dbraw/zinc/31/13/19/1422311319.db2.gz AWZJCMCAYWPBKJ-MRXNPFEDSA-N 0 1 399.495 3.161 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCOC4(CCCCC4)C3)n[nH]2)cc1 ZINC000152967996 1422311326 /nfs/dbraw/zinc/31/13/26/1422311326.db2.gz AWZJCMCAYWPBKJ-MRXNPFEDSA-N 0 1 399.495 3.161 20 0 GGADMN O[C@H](CNCc1c(Cl)nc2ccccn21)c1cc(Cl)c2c(c1)OCCO2 ZINC000152974820 1422313197 /nfs/dbraw/zinc/31/31/97/1422313197.db2.gz WXWNUSFQCIPBNA-CQSZACIVSA-N 0 1 394.258 3.236 20 0 GGADMN CC(C)c1nnc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000179763982 1429547175 /nfs/dbraw/zinc/54/71/75/1429547175.db2.gz MODIKDFLAGXZDV-QGZVFWFLSA-N 0 1 388.493 3.112 20 0 GGADMN c1cn(-c2csc(C[NH2+]CCSCc3ccccc3-c3nnn[n-]3)c2)cn1 ZINC000826519520 1429547267 /nfs/dbraw/zinc/54/72/67/1429547267.db2.gz BPPMNSYIDYMTMG-UHFFFAOYSA-N 0 1 397.533 3.137 20 0 GGADMN COC(=O)Cc1ccccc1OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000153010035 1422324536 /nfs/dbraw/zinc/32/45/36/1422324536.db2.gz LNTGPIVBHHXJAL-UHFFFAOYSA-N 0 1 377.400 3.284 20 0 GGADMN CCCCCNC(=O)C1CCN(Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000153012293 1422325872 /nfs/dbraw/zinc/32/58/72/1422325872.db2.gz DAXHXTICXJEMDS-UHFFFAOYSA-N 0 1 378.513 3.231 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)C[C@@H]1C ZINC000153018171 1422327624 /nfs/dbraw/zinc/32/76/24/1422327624.db2.gz NRJMVURXBRXDIV-JQVVWYNYSA-N 0 1 396.535 3.230 20 0 GGADMN CS(=O)(=O)Nc1cc(F)ccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000179766445 1429548680 /nfs/dbraw/zinc/54/86/80/1429548680.db2.gz YIHYDDLULSLFGH-UHFFFAOYSA-N 0 1 394.449 3.151 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CSc3nccc4ccccc43)nc2)CC1 ZINC000153036754 1422335020 /nfs/dbraw/zinc/33/50/20/1422335020.db2.gz UYHCRDNKXSYATK-UHFFFAOYSA-N 0 1 393.516 3.112 20 0 GGADMN Cc1ccc(CNCc2ccc(-n3cncn3)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000153039596 1422335833 /nfs/dbraw/zinc/33/58/33/1422335833.db2.gz XPCMRVLJEQYXQX-LJQANCHMSA-N 0 1 378.476 3.281 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000153044665 1422336962 /nfs/dbraw/zinc/33/69/62/1422336962.db2.gz NKIPQDLASXKNQS-CQSZACIVSA-N 0 1 390.422 3.278 20 0 GGADMN COc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c([O-])c1 ZINC000153050813 1422339582 /nfs/dbraw/zinc/33/95/82/1422339582.db2.gz AIZHNINEXKCOSW-KRWDZBQOSA-N 0 1 392.459 3.297 20 0 GGADMN COc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([O-])c1 ZINC000153050813 1422339592 /nfs/dbraw/zinc/33/95/92/1422339592.db2.gz AIZHNINEXKCOSW-KRWDZBQOSA-N 0 1 392.459 3.297 20 0 GGADMN CC(C)c1ccc([C@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)cc1 ZINC000153067159 1422345708 /nfs/dbraw/zinc/34/57/08/1422345708.db2.gz GJLLWPRADLURAJ-QGZVFWFLSA-N 0 1 378.480 3.276 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cc(F)cc(Cl)c1 ZINC000153079387 1422349770 /nfs/dbraw/zinc/34/97/70/1422349770.db2.gz VTZIZVZJDYREPA-GOSISDBHSA-N 0 1 377.847 3.020 20 0 GGADMN Cc1c(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)cnn1-c1cc[nH+]cc1 ZINC000153083792 1422351234 /nfs/dbraw/zinc/35/12/34/1422351234.db2.gz CUQWAEBDCRWIQU-UHFFFAOYSA-N 0 1 395.810 3.036 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cc(F)c2)N2CCCC2)c1 ZINC000153095356 1422354504 /nfs/dbraw/zinc/35/45/04/1422354504.db2.gz GQNDNPJWKFNCIB-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179774909 1429554278 /nfs/dbraw/zinc/55/42/78/1429554278.db2.gz RWJNXBCMNRVYDC-LLVKDONJSA-N 0 1 384.386 3.412 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc(F)c1)c1ccsc1 ZINC000153130839 1422366472 /nfs/dbraw/zinc/36/64/72/1422366472.db2.gz TVDRQLPIMUSVNT-KRWDZBQOSA-N 0 1 377.485 3.333 20 0 GGADMN CC[C@H](CNC(=O)C(=O)Nc1cc(C)cc(F)c1)N1CCc2ccccc2C1 ZINC000153132619 1422367373 /nfs/dbraw/zinc/36/73/73/1422367373.db2.gz UTIXANKYZORIDZ-HXUWFJFHSA-N 0 1 383.467 3.026 20 0 GGADMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1cc(F)ccc1N1CCC(O)CC1 ZINC000153134905 1422367912 /nfs/dbraw/zinc/36/79/12/1422367912.db2.gz WFKDSXSIOHDPEY-GFCCVEGCSA-N 0 1 376.403 3.123 20 0 GGADMN C[C@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)Cc1cccs1 ZINC000179775644 1429554969 /nfs/dbraw/zinc/55/49/69/1429554969.db2.gz SIEBDBWTTSGGMY-JTQLQIEISA-N 0 1 392.431 3.496 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CCNC(=O)CC(C)C ZINC000153154530 1422374549 /nfs/dbraw/zinc/37/45/49/1422374549.db2.gz FYUFWNMUHMLDFY-UHFFFAOYSA-N 0 1 377.554 3.035 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000153156327 1422374913 /nfs/dbraw/zinc/37/49/13/1422374913.db2.gz MSVFDQSGBDROPO-JXFKEZNVSA-N 0 1 393.453 3.383 20 0 GGADMN C[C@H](c1cccnc1)N1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000153156436 1422375167 /nfs/dbraw/zinc/37/51/67/1422375167.db2.gz MSVFDQSGBDROPO-UZLBHIALSA-N 0 1 393.453 3.383 20 0 GGADMN C[C@@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)Cc1cccs1 ZINC000179775659 1429555094 /nfs/dbraw/zinc/55/50/94/1429555094.db2.gz SIEBDBWTTSGGMY-SNVBAGLBSA-N 0 1 392.431 3.496 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000153156107 1422375409 /nfs/dbraw/zinc/37/54/09/1422375409.db2.gz MSVFDQSGBDROPO-OXJNMPFZSA-N 0 1 393.453 3.383 20 0 GGADMN CNC(=O)c1cc(C)ccc1NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000153158086 1422376026 /nfs/dbraw/zinc/37/60/26/1422376026.db2.gz BDBMCBXALUMYAS-UHFFFAOYSA-N 0 1 378.432 3.314 20 0 GGADMN CCOc1cccc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1 ZINC000153157257 1422376085 /nfs/dbraw/zinc/37/60/85/1422376085.db2.gz PBEDIKKMVOQNIH-UHFFFAOYSA-N 0 1 385.483 3.456 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2cncc(C)c2)N2CCCCC2)cc1 ZINC000153157731 1422376166 /nfs/dbraw/zinc/37/61/66/1422376166.db2.gz UUDWJEGWKYNJCC-NRFANRHFSA-N 0 1 382.508 3.425 20 0 GGADMN CSCc1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000153169139 1422380162 /nfs/dbraw/zinc/38/01/62/1422380162.db2.gz BQARQGDRYOCVNU-UZLBHIALSA-N 0 1 397.544 3.125 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)[nH]c21 ZINC000179777523 1429556723 /nfs/dbraw/zinc/55/67/23/1429556723.db2.gz ZNZIQLNHQBJUMM-UHFFFAOYSA-N 0 1 393.378 3.301 20 0 GGADMN COc1ccc(-c2csc(NC(=O)CN3C[C@@H]4CCC[C@@H]4C3)n2)c(OC)c1 ZINC000153180458 1422383316 /nfs/dbraw/zinc/38/33/16/1422383316.db2.gz MWILVLBOOLHBGI-OKILXGFUSA-N 0 1 387.505 3.498 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)ccc2[nH]1 ZINC000153182941 1422384214 /nfs/dbraw/zinc/38/42/14/1422384214.db2.gz KKOPRNGVLJLMGD-BTYIYWSLSA-N 0 1 390.487 3.052 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776905 1429555926 /nfs/dbraw/zinc/55/59/26/1429555926.db2.gz KTFVSOLDGZYCQE-MRXNPFEDSA-N 0 1 395.503 3.353 20 0 GGADMN Cc1cccc([C@H](NC(=O)N2CCC[C@H](CN3CCOCC3)C2)C(F)(F)F)c1 ZINC000153184124 1422384507 /nfs/dbraw/zinc/38/45/07/1422384507.db2.gz KEWPUJDSRXDTKF-AEFFLSMTSA-N 0 1 399.457 3.352 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1Cl ZINC000153189588 1422386337 /nfs/dbraw/zinc/38/63/37/1422386337.db2.gz UHFZTNZLEBBAJW-MAUKXSAKSA-N 0 1 385.895 3.224 20 0 GGADMN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000153194662 1422388140 /nfs/dbraw/zinc/38/81/40/1422388140.db2.gz CQMZLNOXHCQGIJ-FGZHOGPDSA-N 0 1 397.563 3.339 20 0 GGADMN C[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1cccc(F)c1F ZINC000153194023 1422388502 /nfs/dbraw/zinc/38/85/02/1422388502.db2.gz LOJZBYVYQBTHQK-NSHDSACASA-N 0 1 389.427 3.231 20 0 GGADMN C[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1cccc(F)c1F ZINC000153194112 1422388560 /nfs/dbraw/zinc/38/85/60/1422388560.db2.gz LOJZBYVYQBTHQK-LLVKDONJSA-N 0 1 389.427 3.231 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CCc4c5ccccc5[nH]c4C3)cc2)CC1 ZINC000153198309 1422389905 /nfs/dbraw/zinc/38/99/05/1422389905.db2.gz QFBCGQINQPYMHJ-UHFFFAOYSA-N 0 1 388.515 3.114 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000153202270 1422391368 /nfs/dbraw/zinc/39/13/68/1422391368.db2.gz JCUHQOWMHIHCNC-UXPWSPDFSA-N 0 1 393.487 3.428 20 0 GGADMN C[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769732 1429551162 /nfs/dbraw/zinc/55/11/62/1429551162.db2.gz MOAQVVRFQZOXJY-MRXNPFEDSA-N 0 1 377.488 3.271 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000153205571 1422392764 /nfs/dbraw/zinc/39/27/64/1422392764.db2.gz QCFSYOBIFZJWGO-UTKZUKDTSA-N 0 1 395.503 3.049 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000153210831 1422394872 /nfs/dbraw/zinc/39/48/72/1422394872.db2.gz XQFWIFKTBLBVKP-LAUBAEHRSA-N 0 1 395.503 3.051 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000153211950 1422395195 /nfs/dbraw/zinc/39/51/95/1422395195.db2.gz KAUCGHJJFLYXBC-HNAYVOBHSA-N 0 1 385.895 3.224 20 0 GGADMN CCCOc1ccc2c(c1)CCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)C2 ZINC000153213736 1422396013 /nfs/dbraw/zinc/39/60/13/1422396013.db2.gz ZDFRZDWWIIGVMJ-NRFANRHFSA-N 0 1 398.503 3.232 20 0 GGADMN CCCOc1ccc2c(c1)CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)C2 ZINC000153213856 1422396263 /nfs/dbraw/zinc/39/62/63/1422396263.db2.gz ZDFRZDWWIIGVMJ-OAQYLSRUSA-N 0 1 398.503 3.232 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](c3cccc(C)c3)C(F)(F)F)C2)CC1 ZINC000153228957 1422403060 /nfs/dbraw/zinc/40/30/60/1422403060.db2.gz GWMJWMPKUXVAPQ-ROUUACIJSA-N 0 1 398.473 3.020 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](c3cccc(C)c3)C(F)(F)F)C2)CC1 ZINC000153228844 1422403333 /nfs/dbraw/zinc/40/33/33/1422403333.db2.gz GWMJWMPKUXVAPQ-MSOLQXFVSA-N 0 1 398.473 3.020 20 0 GGADMN CCn1c(=S)n(CN2CCN(C)C[C@@H]2c2ccccc2)nc1-c1cccnc1 ZINC000153238309 1422410505 /nfs/dbraw/zinc/41/05/05/1422410505.db2.gz GTMVFQSKXMBKHC-LJQANCHMSA-N 0 1 394.548 3.442 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000153238871 1422411095 /nfs/dbraw/zinc/41/10/95/1422411095.db2.gz QQVAEQUXSPWUPZ-LLVKDONJSA-N 0 1 390.230 3.256 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179773022 1429553061 /nfs/dbraw/zinc/55/30/61/1429553061.db2.gz QLFQWFFBAMXWMT-OAHLLOKOSA-N 0 1 381.476 3.011 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000153255628 1422421844 /nfs/dbraw/zinc/42/18/44/1422421844.db2.gz ULGCEBAXBVFKAW-UHFFFAOYSA-N 0 1 397.394 3.006 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000153258009 1422422980 /nfs/dbraw/zinc/42/29/80/1422422980.db2.gz QXVPVQOLXCMXCP-UHFFFAOYSA-N 0 1 379.807 3.074 20 0 GGADMN CCc1cc(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)n[nH]1 ZINC000153259896 1422424564 /nfs/dbraw/zinc/42/45/64/1422424564.db2.gz HCNBSTXNHFKPAD-UHFFFAOYSA-N 0 1 392.459 3.300 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cc(F)c2)N2CCCC2)cc1 ZINC000153259977 1422425063 /nfs/dbraw/zinc/42/50/63/1422425063.db2.gz GVMIZNKIRVAFBJ-HXUWFJFHSA-N 0 1 383.467 3.334 20 0 GGADMN Cn1ccnc1-c1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179777708 1429556849 /nfs/dbraw/zinc/55/68/49/1429556849.db2.gz IHLYPNYMLXTAIU-INIZCTEOSA-N 0 1 391.479 3.494 20 0 GGADMN CCc1ccc([C@@H](CO)NC(=O)Nc2ccccc2N2CCN(CC)CC2)cc1 ZINC000153272757 1422432285 /nfs/dbraw/zinc/43/22/85/1422432285.db2.gz JZEKJVFEHQJFQI-OAQYLSRUSA-N 0 1 396.535 3.246 20 0 GGADMN C[C@@H](CNC(=O)/C=C/c1ccc(Cl)nc1)N1CCN(c2ccccc2)CC1 ZINC000153274277 1422432480 /nfs/dbraw/zinc/43/24/80/1422432480.db2.gz JYKPVDPQDJQGNO-VMSUTVGLSA-N 0 1 384.911 3.075 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)Nc2ccccc2N2CCN(CC)CC2)cc1 ZINC000153272840 1422432779 /nfs/dbraw/zinc/43/27/79/1422432779.db2.gz JZEKJVFEHQJFQI-NRFANRHFSA-N 0 1 396.535 3.246 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1)C1CC1 ZINC000153275207 1422433755 /nfs/dbraw/zinc/43/37/55/1422433755.db2.gz NWJDDRDZWPXGKB-UHFFFAOYSA-N 0 1 375.432 3.235 20 0 GGADMN CC(C)(F)C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153327651 1422471662 /nfs/dbraw/zinc/47/16/62/1422471662.db2.gz GAEDTIJNMZIJEE-UHFFFAOYSA-N 0 1 375.410 3.082 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(C3OCCO3)c2)N2CCCC2)c1 ZINC000153329697 1422473549 /nfs/dbraw/zinc/47/35/49/1422473549.db2.gz YSRXKOBJAWVHIB-OAQYLSRUSA-N 0 1 396.487 3.308 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(C3OCCO3)c2)N2CCCC2)c1 ZINC000153329780 1422473743 /nfs/dbraw/zinc/47/37/43/1422473743.db2.gz YSRXKOBJAWVHIB-NRFANRHFSA-N 0 1 396.487 3.308 20 0 GGADMN Cc1cccn2c(=O)cc(CN[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)nc12 ZINC000179781861 1429560611 /nfs/dbraw/zinc/56/06/11/1429560611.db2.gz LUGQLRJABAJXGL-HNNXBMFYSA-N 0 1 376.460 3.202 20 0 GGADMN CN1CCN(c2ccc(NCc3ccccc3OCc3cccnc3)cn2)CC1 ZINC000153340952 1422479179 /nfs/dbraw/zinc/47/91/79/1422479179.db2.gz AKQGWKLKMIVPSP-UHFFFAOYSA-N 0 1 389.503 3.420 20 0 GGADMN C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824599802 1429561010 /nfs/dbraw/zinc/56/10/10/1429561010.db2.gz SSSFJNKELHKHEB-NSHDSACASA-N 0 1 378.358 3.010 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1CC[C@H](CO)CC1 ZINC000153355786 1422488123 /nfs/dbraw/zinc/48/81/23/1422488123.db2.gz RIGHPIMBYXEXRJ-IZAXUBKRSA-N 0 1 393.959 3.402 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000153356105 1422489455 /nfs/dbraw/zinc/48/94/55/1422489455.db2.gz IJKRAOXSHXMOJD-QRQLOZEOSA-N 0 1 377.916 3.171 20 0 GGADMN COc1cc(CN2CC[C@H]([NH2+]Cc3c([O-])cccc3Cl)C2)cc(OC)c1 ZINC000153358443 1422491324 /nfs/dbraw/zinc/49/13/24/1422491324.db2.gz UXLFGRWXRKLFNU-HNNXBMFYSA-N 0 1 376.884 3.427 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCOC[C@H]1C1CC1)N1CCCCC1 ZINC000153365326 1422497038 /nfs/dbraw/zinc/49/70/38/1422497038.db2.gz DDOGOLUZQGVLAY-UXHICEINSA-N 0 1 387.524 3.043 20 0 GGADMN CCS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1 ZINC000153380854 1422506929 /nfs/dbraw/zinc/50/69/29/1422506929.db2.gz RHOXCGVCTFYPTE-UHFFFAOYSA-N 0 1 385.445 3.131 20 0 GGADMN COc1ccc([C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)[NH+]2CCCCC2)cc1 ZINC000821778167 1429563281 /nfs/dbraw/zinc/56/32/81/1429563281.db2.gz VYGZSMDHAIVIBB-LJQANCHMSA-N 0 1 393.495 3.218 20 0 GGADMN O=C(C[C@@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1 ZINC000153396162 1422512828 /nfs/dbraw/zinc/51/28/28/1422512828.db2.gz WCVTVEDJFGALOQ-GOSISDBHSA-N 0 1 393.418 3.330 20 0 GGADMN O=C(C[C@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccc1 ZINC000153396219 1422512923 /nfs/dbraw/zinc/51/29/23/1422512923.db2.gz WCVTVEDJFGALOQ-SFHVURJKSA-N 0 1 393.418 3.330 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000153397686 1422513479 /nfs/dbraw/zinc/51/34/79/1422513479.db2.gz KQBNGILJWBGORW-UHFFFAOYSA-N 0 1 378.363 3.222 20 0 GGADMN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1cccc(N2CCCC2)c1 ZINC000153396942 1422513899 /nfs/dbraw/zinc/51/38/99/1422513899.db2.gz IQNTZOQDHVMDGC-CYBMUJFWSA-N 0 1 394.500 3.303 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)cc1 ZINC000153414184 1422521975 /nfs/dbraw/zinc/52/19/75/1422521975.db2.gz ZJCRZGCAKHYYIS-UHFFFAOYSA-N 0 1 393.443 3.301 20 0 GGADMN O=C(NCCc1cc2ccccc2[nH]1)NCC1(N2CCOCC2)CCCCC1 ZINC000153414572 1422522917 /nfs/dbraw/zinc/52/29/17/1422522917.db2.gz CVFDCFWKNFOFKU-UHFFFAOYSA-N 0 1 384.524 3.045 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C[C@H](C)N1 ZINC000153419037 1422525235 /nfs/dbraw/zinc/52/52/35/1422525235.db2.gz AQALXEKGIZVNTO-KBPBESRZSA-N 0 1 389.546 3.301 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153434385 1422533415 /nfs/dbraw/zinc/53/34/15/1422533415.db2.gz JJSDDJHCDFFEJJ-MRXNPFEDSA-N 0 1 378.879 3.199 20 0 GGADMN CCCCn1ccnc1-c1cccc(NC(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000153436680 1422535825 /nfs/dbraw/zinc/53/58/25/1422535825.db2.gz FSVVTFKQMWXJPA-GOSISDBHSA-N 0 1 398.555 3.108 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)n(C)n1 ZINC000153441156 1422538023 /nfs/dbraw/zinc/53/80/23/1422538023.db2.gz OFKPFTGXZLUEJY-IAGOWNOFSA-N 0 1 385.512 3.016 20 0 GGADMN O=C(CN1CC[C@@]2(CCOC2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000153453576 1422545709 /nfs/dbraw/zinc/54/57/09/1422545709.db2.gz HPDGHHUWQWRDTO-OAQYLSRUSA-N 0 1 383.517 3.425 20 0 GGADMN COC(=O)COc1ccc(NC(=O)Cc2n[nH]c3ccccc23)c2ccccc12 ZINC000153463680 1422551505 /nfs/dbraw/zinc/55/15/05/1422551505.db2.gz ZLLJVQKAZCLLEH-UHFFFAOYSA-N 0 1 389.411 3.449 20 0 GGADMN CC(=O)OC1CCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000153465845 1422552505 /nfs/dbraw/zinc/55/25/05/1422552505.db2.gz YSUJNZCNYNRVFS-UHFFFAOYSA-N 0 1 394.515 3.285 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1ccccc1 ZINC000153483638 1422563028 /nfs/dbraw/zinc/56/30/28/1422563028.db2.gz GXVWJBRTNFAINV-HXUWFJFHSA-N 0 1 388.533 3.295 20 0 GGADMN O=C(Nc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1)OCC(F)(F)F ZINC000153488596 1422566218 /nfs/dbraw/zinc/56/62/18/1422566218.db2.gz BNFKCZHRRBAXHB-UHFFFAOYSA-N 0 1 379.298 3.321 20 0 GGADMN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nc1 ZINC000153497545 1422570232 /nfs/dbraw/zinc/57/02/32/1422570232.db2.gz HJNMXYPIGSEQTE-UHFFFAOYSA-N 0 1 385.367 3.028 20 0 GGADMN 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ZINC000153986690 1422821261 /nfs/dbraw/zinc/82/12/61/1422821261.db2.gz LTRMKZWWPMPASI-UHFFFAOYSA-N 0 1 398.265 3.449 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc2nccnc2c1 ZINC000153992213 1422822139 /nfs/dbraw/zinc/82/21/39/1422822139.db2.gz BDKVAUVWBRATDU-QGZVFWFLSA-N 0 1 396.878 3.383 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cccc3c2CCCC3)cc1F ZINC000153995346 1422822961 /nfs/dbraw/zinc/82/29/61/1422822961.db2.gz MQDFKADPMZGIRL-UHFFFAOYSA-N 0 1 383.467 3.021 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000153996999 1422822987 /nfs/dbraw/zinc/82/29/87/1422822987.db2.gz NEKBOZJTBGOBML-LJQANCHMSA-N 0 1 398.503 3.036 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000153998159 1422823294 /nfs/dbraw/zinc/82/32/94/1422823294.db2.gz VNLWXTVXEFOFKW-MRXNPFEDSA-N 0 1 384.524 3.263 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cccc(C4OCCO4)c3)CC2)cc1 ZINC000153998306 1422823328 /nfs/dbraw/zinc/82/33/28/1422823328.db2.gz PEIUFYXEDQEMDL-UHFFFAOYSA-N 0 1 396.487 3.089 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000154004901 1422824203 /nfs/dbraw/zinc/82/42/03/1422824203.db2.gz DIRXDMSOEDKZQG-UHFFFAOYSA-N 0 1 377.847 3.104 20 0 GGADMN CCc1ccc(CC)c(NC(=O)C(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000154005169 1422824313 /nfs/dbraw/zinc/82/43/13/1422824313.db2.gz JWBQBNRITYGETD-UHFFFAOYSA-N 0 1 385.483 3.267 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cccc3ccccc32)cc1F ZINC000154007476 1422824711 /nfs/dbraw/zinc/82/47/11/1422824711.db2.gz OMZZQGFJXDTVNY-UHFFFAOYSA-N 0 1 379.435 3.295 20 0 GGADMN O=C(Nc1cccc(CN2CCOCC2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000179817263 1429589630 /nfs/dbraw/zinc/58/96/30/1429589630.db2.gz ZKVXQXDOMAOEJY-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN CC(C)c1noc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000154016924 1422826212 /nfs/dbraw/zinc/82/62/12/1422826212.db2.gz TWCOKXMULPVELT-INIZCTEOSA-N 0 1 392.887 3.179 20 0 GGADMN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154074612 1422836155 /nfs/dbraw/zinc/83/61/55/1422836155.db2.gz GWAOOJANDAEVGT-VXGBXAGGSA-N 0 1 375.856 3.316 20 0 GGADMN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000154074701 1422836189 /nfs/dbraw/zinc/83/61/89/1422836189.db2.gz GWAOOJANDAEVGT-RYUDHWBXSA-N 0 1 375.856 3.316 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000154075053 1422836419 /nfs/dbraw/zinc/83/64/19/1422836419.db2.gz YAHKQEWOCWJIHS-UHFFFAOYSA-N 0 1 389.463 3.482 20 0 GGADMN Cc1ccc(OCc2nc(CC(=O)N3CCN(C)C[C@@H]3C(C)C)cs2)cc1 ZINC000154099571 1422840039 /nfs/dbraw/zinc/84/00/39/1422840039.db2.gz YDSZUJMNKFXQIW-LJQANCHMSA-N 0 1 387.549 3.372 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000154135393 1422844771 /nfs/dbraw/zinc/84/47/71/1422844771.db2.gz PLLLCDZCRISOSJ-HXUWFJFHSA-N 0 1 381.948 3.402 20 0 GGADMN CCOc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1OCCOc1ccccc1 ZINC000154147464 1422846836 /nfs/dbraw/zinc/84/68/36/1422846836.db2.gz OGYCMEBKMNLVQW-ROUUACIJSA-N 0 1 398.503 3.366 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](Cc3ccccc3)C3CC3)n2)cc1 ZINC000154158339 1422848112 /nfs/dbraw/zinc/84/81/12/1422848112.db2.gz GGZHQESKVWDYLY-IBGZPJMESA-N 0 1 391.475 3.301 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](Cc3ccccc3)C3CC3)n[nH]2)cc1 ZINC000154158339 1422848114 /nfs/dbraw/zinc/84/81/14/1422848114.db2.gz GGZHQESKVWDYLY-IBGZPJMESA-N 0 1 391.475 3.301 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000154169774 1422849702 /nfs/dbraw/zinc/84/97/02/1422849702.db2.gz BHPDJSXJFVLXPM-MRXNPFEDSA-N 0 1 384.476 3.009 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824548523 1429595642 /nfs/dbraw/zinc/59/56/42/1429595642.db2.gz XLPAXEBWDOBNPA-MPGHIAIKSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824548523 1429595647 /nfs/dbraw/zinc/59/56/47/1429595647.db2.gz XLPAXEBWDOBNPA-MPGHIAIKSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824548523 1429595651 /nfs/dbraw/zinc/59/56/51/1429595651.db2.gz XLPAXEBWDOBNPA-MPGHIAIKSA-N 0 1 380.471 3.492 20 0 GGADMN O=C(CCc1cc(Cl)cs1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000154207860 1422855249 /nfs/dbraw/zinc/85/52/49/1422855249.db2.gz DOWQKHLSWUTXHJ-QFBILLFUSA-N 0 1 392.952 3.333 20 0 GGADMN C[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154212249 1422855868 /nfs/dbraw/zinc/85/58/68/1422855868.db2.gz RZLZFMZWIZWWMP-ZNLUXHQJSA-N 0 1 384.495 3.004 20 0 GGADMN C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154212081 1422855915 /nfs/dbraw/zinc/85/59/15/1422855915.db2.gz RZLZFMZWIZWWMP-NQSCKRDGSA-N 0 1 384.495 3.004 20 0 GGADMN Cc1ccc2c(CC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)coc2c1 ZINC000154221735 1422857597 /nfs/dbraw/zinc/85/75/97/1422857597.db2.gz PQBCSNXYMYOYIX-DENIHFKCSA-N 0 1 392.499 3.283 20 0 GGADMN O=C(C[C@@H]1CCc2ccccc21)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000154229026 1422858739 /nfs/dbraw/zinc/85/87/39/1422858739.db2.gz BUSBSQGUPWKTOJ-QNWVGRARSA-N 0 1 378.516 3.106 20 0 GGADMN CN1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000154229455 1422858875 /nfs/dbraw/zinc/85/88/75/1422858875.db2.gz BGPYXQHEXZTFEP-KSSFIOAISA-N 0 1 389.858 3.227 20 0 GGADMN CN1CC[C@@H](CNC(=O)C(=O)Nc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000154229092 1422858896 /nfs/dbraw/zinc/85/88/96/1422858896.db2.gz CDEGZQGIZPDYRD-LRDDRELGSA-N 0 1 395.887 3.288 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000154233762 1422859456 /nfs/dbraw/zinc/85/94/56/1422859456.db2.gz KAXNVFMDDRKAAP-QFBILLFUSA-N 0 1 376.859 3.092 20 0 GGADMN COc1ccc([C@H]2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)C2)cc1 ZINC000154234290 1422859708 /nfs/dbraw/zinc/85/97/08/1422859708.db2.gz SYNCGRRVEBEJHF-INIZCTEOSA-N 0 1 379.464 3.065 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cnc2n[nH]c(C)c2c1)N1CCCCC1 ZINC000154234389 1422859752 /nfs/dbraw/zinc/85/97/52/1422859752.db2.gz PPPHMRFFFSICJG-LJQANCHMSA-N 0 1 393.491 3.232 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCCc2sccc21 ZINC000154234361 1422859825 /nfs/dbraw/zinc/85/98/25/1422859825.db2.gz GURORWRIBXXHQB-MISYRCLQSA-N 0 1 384.545 3.167 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCCc2sccc21 ZINC000154234479 1422859857 /nfs/dbraw/zinc/85/98/57/1422859857.db2.gz GURORWRIBXXHQB-DFQSSKMNSA-N 0 1 384.545 3.167 20 0 GGADMN Cc1oc2nc(CN3CCCN(Cc4ccc(F)cc4)CC3)nc(N)c2c1C ZINC000154243636 1422860694 /nfs/dbraw/zinc/86/06/94/1422860694.db2.gz JUAQGOSRLYYWOP-UHFFFAOYSA-N 0 1 383.471 3.269 20 0 GGADMN CC(C)(C)SCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154252073 1422862054 /nfs/dbraw/zinc/86/20/54/1422862054.db2.gz HIVXXLCCLJMVFY-MOPGFXCFSA-N 0 1 378.582 3.298 20 0 GGADMN CC(C)(C)SCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154252073 1422862055 /nfs/dbraw/zinc/86/20/55/1422862055.db2.gz HIVXXLCCLJMVFY-MOPGFXCFSA-N 0 1 378.582 3.298 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3n[nH]c4c3cccc4Cl)cc2[nH]c1=S ZINC000154254388 1422862541 /nfs/dbraw/zinc/86/25/41/1422862541.db2.gz PBBIJXDWURABMK-UHFFFAOYSA-N 0 1 385.836 3.004 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc2c(c1)OCO2 ZINC000154263696 1422863827 /nfs/dbraw/zinc/86/38/27/1422863827.db2.gz VWQFHIACXBUSED-DNVCBOLYSA-N 0 1 382.460 3.175 20 0 GGADMN CC(C)CO[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000154276853 1422865978 /nfs/dbraw/zinc/86/59/78/1422865978.db2.gz AFPVGSINSMOSMK-FQEVSTJZSA-N 0 1 377.504 3.247 20 0 GGADMN C[C@@H](O)C[C@@H](CNC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccccc1 ZINC000154284022 1422867061 /nfs/dbraw/zinc/86/70/61/1422867061.db2.gz CALYOJBDJNPQCD-XLIONFOSSA-N 0 1 387.499 3.111 20 0 GGADMN O=C(CCC1CCCC1)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000154285850 1422867385 /nfs/dbraw/zinc/86/73/85/1422867385.db2.gz PUFFDVUVAVLBGW-UHFFFAOYSA-N 0 1 398.482 3.471 20 0 GGADMN COC(=O)c1cc(C(=O)Nc2[nH]nc3c2cccc3Cl)n(-c2ccccc2)n1 ZINC000154295169 1422868300 /nfs/dbraw/zinc/86/83/00/1422868300.db2.gz IZRQUOXUTLPZEN-UHFFFAOYSA-N 0 1 395.806 3.441 20 0 GGADMN C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154313358 1422871217 /nfs/dbraw/zinc/87/12/17/1422871217.db2.gz KMBHAXOANMPWGN-ZNLUXHQJSA-N 0 1 384.495 3.004 20 0 GGADMN COc1ccccc1[C@H](C)CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154314547 1422871586 /nfs/dbraw/zinc/87/15/86/1422871586.db2.gz NUXSYHIMNCLGHF-UZKOGDIHSA-N 0 1 396.531 3.188 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(C)Cc3ccc(OC)cc3OC)n[nH]2)c1 ZINC000154319899 1422872332 /nfs/dbraw/zinc/87/23/32/1422872332.db2.gz RMDIKVKLVJXYDC-UHFFFAOYSA-N 0 1 381.432 3.375 20 0 GGADMN CCN(CC)[C@@H](CNS(=O)(=O)c1sccc1OC)c1cccc(OC)c1 ZINC000154323300 1422872620 /nfs/dbraw/zinc/87/26/20/1422872620.db2.gz HHSSSOCMLAXUJK-INIZCTEOSA-N 0 1 398.550 3.127 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)NCC3(Cc4ccccc4)CCC3)CC2)CCO1 ZINC000154334968 1422874462 /nfs/dbraw/zinc/87/44/62/1422874462.db2.gz MSWMCNOWMMADSZ-LJQANCHMSA-N 0 1 385.552 3.294 20 0 GGADMN CC(=O)Nc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000154335736 1422874659 /nfs/dbraw/zinc/87/46/59/1422874659.db2.gz LVZZSVXRBJCUKG-LEWJYISDSA-N 0 1 387.911 3.460 20 0 GGADMN CC(=O)Nc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000154335607 1422874683 /nfs/dbraw/zinc/87/46/83/1422874683.db2.gz LVZZSVXRBJCUKG-SFTDATJTSA-N 0 1 387.911 3.460 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCCC[C@H]3c3ncon3)n2)cc1 ZINC000154338483 1422875005 /nfs/dbraw/zinc/87/50/05/1422875005.db2.gz VJUHZWCQTPHZAV-AWEZNQCLSA-N 0 1 384.465 3.009 20 0 GGADMN Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000154339744 1422875487 /nfs/dbraw/zinc/87/54/87/1422875487.db2.gz WIYULMNMMYLJMR-UHFFFAOYSA-N 0 1 375.494 3.122 20 0 GGADMN CC(C)C[C@H]1CCCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000154372993 1422880082 /nfs/dbraw/zinc/88/00/82/1422880082.db2.gz OFOTVOPQWGPZPR-LJQANCHMSA-N 0 1 394.604 3.081 20 0 GGADMN Cc1nnnn1C(=Cc1ccccc1)C(=O)Nc1[nH]nc2c1cccc2Cl ZINC000154373281 1422880165 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ZINC000179907202 1429634548 /nfs/dbraw/zinc/63/45/48/1429634548.db2.gz HWHBVSJHGFYUQG-UHFFFAOYSA-N 0 1 394.422 3.291 20 0 GGADMN COc1ccccc1C(=O)NCC(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000155413934 1423354645 /nfs/dbraw/zinc/35/46/45/1423354645.db2.gz HXTORGLTHIOFED-UHFFFAOYSA-N 0 1 381.476 3.035 20 0 GGADMN CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1 ZINC000155415817 1423355817 /nfs/dbraw/zinc/35/58/17/1423355817.db2.gz QXIYYWLVTLYZSC-UHFFFAOYSA-N 0 1 397.544 3.251 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccccc3)n[nH]2)cc1 ZINC000155419658 1423356265 /nfs/dbraw/zinc/35/62/65/1423356265.db2.gz UCDLQWSMLFJCDE-SIKLNZKXSA-N 0 1 391.471 3.350 20 0 GGADMN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825014224 1423357843 /nfs/dbraw/zinc/35/78/43/1423357843.db2.gz VDMSBLJZKJTWET-QVKFZJNVSA-N 0 1 379.464 3.103 20 0 GGADMN COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C ZINC000155428119 1423359341 /nfs/dbraw/zinc/35/93/41/1423359341.db2.gz 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O=C(C(=Cc1ccc(F)cc1)c1cccs1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000155464720 1423375010 /nfs/dbraw/zinc/37/50/10/1423375010.db2.gz OVYWROMFOCGTBI-LUYJPIOASA-N 0 1 383.452 3.347 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cnc12 ZINC000155471560 1423378862 /nfs/dbraw/zinc/37/88/62/1423378862.db2.gz JPZPFSGUVFYDTG-SFHVURJKSA-N 0 1 393.462 3.370 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cnc12 ZINC000155471446 1423378932 /nfs/dbraw/zinc/37/89/32/1423378932.db2.gz JPZPFSGUVFYDTG-GOSISDBHSA-N 0 1 393.462 3.370 20 0 GGADMN CCOc1ncc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1Cl ZINC000155475728 1423380326 /nfs/dbraw/zinc/38/03/26/1423380326.db2.gz HQIWXJUCHNUHCH-CQSZACIVSA-N 0 1 388.899 3.484 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000155480483 1423381077 /nfs/dbraw/zinc/38/10/77/1423381077.db2.gz BZBILWDKBINZBJ-UHFFFAOYSA-N 0 1 385.508 3.240 20 0 GGADMN Cn1cc(Nc2cccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c2)cn1 ZINC000155482454 1423382404 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CCC(=O)Nc1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155517509 1423396939 /nfs/dbraw/zinc/39/69/39/1423396939.db2.gz BWWNGRLXCHYKFZ-MRXNPFEDSA-N 0 1 380.492 3.386 20 0 GGADMN CC(C)CSCCCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179915070 1429638415 /nfs/dbraw/zinc/63/84/15/1429638415.db2.gz HUNAJNAWXVCVHJ-UHFFFAOYSA-N 0 1 384.452 3.335 20 0 GGADMN CN(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cn1 ZINC000155523901 1423399559 /nfs/dbraw/zinc/39/95/59/1423399559.db2.gz NACGSUGYVMSUJO-UHFFFAOYSA-N 0 1 395.507 3.214 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000155532523 1423403936 /nfs/dbraw/zinc/40/39/36/1423403936.db2.gz OWUJMPCVYSRHTL-INIZCTEOSA-N 0 1 393.466 3.362 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000155535250 1423404721 /nfs/dbraw/zinc/40/47/21/1423404721.db2.gz HDOAYRQJMRZMTA-NSHDSACASA-N 0 1 388.830 3.132 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000155539964 1423408070 /nfs/dbraw/zinc/40/80/70/1423408070.db2.gz RPWPZTKEJZCZHN-OAHLLOKOSA-N 0 1 391.475 3.395 20 0 GGADMN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000155546758 1423412642 /nfs/dbraw/zinc/41/26/42/1423412642.db2.gz XGYWSGMLZGAJEK-UHFFFAOYSA-N 0 1 391.855 3.287 20 0 GGADMN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000155549586 1423414010 /nfs/dbraw/zinc/41/40/10/1423414010.db2.gz FSCAYIUYZSSOOL-UHFFFAOYSA-N 0 1 389.902 3.499 20 0 GGADMN CC[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1OCC(=O)N(C)C ZINC000155549422 1423414111 /nfs/dbraw/zinc/41/41/11/1423414111.db2.gz KUQFXWKXQIDRMJ-WINIVTDRSA-N 0 1 388.533 3.132 20 0 GGADMN COCCOc1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000155559265 1423418291 /nfs/dbraw/zinc/41/82/91/1423418291.db2.gz KUFOAJBADUTBHG-KRWDZBQOSA-N 0 1 383.492 3.062 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000155562339 1423419124 /nfs/dbraw/zinc/41/91/24/1423419124.db2.gz FSLGZTPIAMHCOQ-CRAIPNDOSA-N 0 1 399.516 3.440 20 0 GGADMN CCCNC(=O)C1CCN(Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000179918758 1429640339 /nfs/dbraw/zinc/64/03/39/1429640339.db2.gz LZUXPSOZJPUFAY-UHFFFAOYSA-N 0 1 397.519 3.407 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000155589495 1423433934 /nfs/dbraw/zinc/43/39/34/1423433934.db2.gz ORBOBAFDRQYPFG-AWEZNQCLSA-N 0 1 396.466 3.061 20 0 GGADMN c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cc1 ZINC001139090314 1423440515 /nfs/dbraw/zinc/44/05/15/1423440515.db2.gz FGZNHWIRAIWVQK-IRLDBZIGSA-N 0 1 375.476 3.405 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000155605555 1423441683 /nfs/dbraw/zinc/44/16/83/1423441683.db2.gz ZZURGOZQKLTUTN-QHCPKHFHSA-N 0 1 395.551 3.428 20 0 GGADMN CCOC(=O)C1(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000155612527 1423445930 /nfs/dbraw/zinc/44/59/30/1423445930.db2.gz YFYWIUGODUDHMM-RHSMWYFYSA-N 0 1 396.890 3.322 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(Cn2ccnn2)CC1)c1ccc2ccccc2c1 ZINC000155617940 1423448373 /nfs/dbraw/zinc/44/83/73/1423448373.db2.gz LCLFKBHSMJEXJV-ROUUACIJSA-N 0 1 391.519 3.409 20 0 GGADMN CC(C)(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824072193 1423451233 /nfs/dbraw/zinc/45/12/33/1423451233.db2.gz STBYWQBUYLJPGJ-SFHVURJKSA-N 0 1 399.520 3.017 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000155622336 1423452322 /nfs/dbraw/zinc/45/23/22/1423452322.db2.gz GXRIPFDJQHEUSM-GOSISDBHSA-N 0 1 381.538 3.214 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000823675533 1423456631 /nfs/dbraw/zinc/45/66/31/1423456631.db2.gz XFOKRPRQTBMBEG-IEBWSBKVSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1CCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675533 1423456634 /nfs/dbraw/zinc/45/66/34/1423456634.db2.gz XFOKRPRQTBMBEG-IEBWSBKVSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1CCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675533 1423456639 /nfs/dbraw/zinc/45/66/39/1423456639.db2.gz XFOKRPRQTBMBEG-IEBWSBKVSA-N 0 1 397.479 3.207 20 0 GGADMN COC(=O)Nc1cc(C(=O)NCCCc2cn[nH]c2C)cc(C(F)(F)F)c1 ZINC000155631262 1423456750 /nfs/dbraw/zinc/45/67/50/1423456750.db2.gz OCBFFIQSEXIHTR-UHFFFAOYSA-N 0 1 384.358 3.278 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155630642 1423456993 /nfs/dbraw/zinc/45/69/93/1423456993.db2.gz RNJJBFOHUSLPRK-YJBOKZPZSA-N 0 1 392.544 3.440 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000155633210 1423458196 /nfs/dbraw/zinc/45/81/96/1423458196.db2.gz TYQWQARWPMWIEL-KRWDZBQOSA-N 0 1 392.503 3.164 20 0 GGADMN Cc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826284312 1423465922 /nfs/dbraw/zinc/46/59/22/1423465922.db2.gz PZIFKDXUDXYJTB-FQEVSTJZSA-N 0 1 391.454 3.350 20 0 GGADMN COc1ccc([C@@H]2CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000155662901 1423475012 /nfs/dbraw/zinc/47/50/12/1423475012.db2.gz BNFXEDUVQMEYHK-LJQANCHMSA-N 0 1 394.519 3.254 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1 ZINC000155669117 1423478434 /nfs/dbraw/zinc/47/84/34/1423478434.db2.gz NGFIVSDHMBCXJU-KRWDZBQOSA-N 0 1 387.487 3.494 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155676759 1423481504 /nfs/dbraw/zinc/48/15/04/1423481504.db2.gz XIFNKUBYHWYREP-QGZVFWFLSA-N 0 1 394.519 3.129 20 0 GGADMN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C(O)C1=NN(CC(C)C)C(=O)CC1 ZINC000155681054 1423483711 /nfs/dbraw/zinc/48/37/11/1423483711.db2.gz JEWWXANNNQOETG-OAHLLOKOSA-N 0 1 378.432 3.002 20 0 GGADMN O=C(NCCc1ccccc1OC(F)(F)F)c1cccc(-c2nnc[nH]2)c1 ZINC000155688210 1423486990 /nfs/dbraw/zinc/48/69/90/1423486990.db2.gz XSQCBROSXIGQBZ-UHFFFAOYSA-N 0 1 376.338 3.343 20 0 GGADMN Cc1nsc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 ZINC000179927992 1429646420 /nfs/dbraw/zinc/64/64/20/1429646420.db2.gz UNHWIKYBPFILGI-UHFFFAOYSA-N 0 1 395.573 3.006 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2)CC1 ZINC000155697809 1423491864 /nfs/dbraw/zinc/49/18/64/1423491864.db2.gz XSMUBRUYBCZSDV-UHFFFAOYSA-N 0 1 396.510 3.426 20 0 GGADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000155699248 1423492505 /nfs/dbraw/zinc/49/25/05/1423492505.db2.gz TVYVRJDHWLLEFO-OKILXGFUSA-N 0 1 376.888 3.264 20 0 GGADMN C[C@@H]([NH2+]CCn1ccccc1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824604649 1423494774 /nfs/dbraw/zinc/49/47/74/1423494774.db2.gz CRWMYPYJHGQNRV-MRXNPFEDSA-N 0 1 386.459 3.046 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cnc12 ZINC000155706734 1423497984 /nfs/dbraw/zinc/49/79/84/1423497984.db2.gz IGJLXOIHDWQTLD-GOSISDBHSA-N 0 1 385.414 3.147 20 0 GGADMN C[C@@H](CNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)N1CCc2ccccc2C1 ZINC000155721810 1423504640 /nfs/dbraw/zinc/50/46/40/1423504640.db2.gz JHEYMYUAZFBXTI-INIZCTEOSA-N 0 1 389.540 3.100 20 0 GGADMN CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000155721056 1423504824 /nfs/dbraw/zinc/50/48/24/1423504824.db2.gz QNLQWBUAFDLQQD-ZDUSSCGKSA-N 0 1 397.504 3.005 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000824261278 1423504986 /nfs/dbraw/zinc/50/49/86/1423504986.db2.gz HGOYRAFNBWKSJX-GFCCVEGCSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000824261278 1423504990 /nfs/dbraw/zinc/50/49/90/1423504990.db2.gz HGOYRAFNBWKSJX-GFCCVEGCSA-N 0 1 379.306 3.019 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC000824261278 1423504994 /nfs/dbraw/zinc/50/49/94/1423504994.db2.gz HGOYRAFNBWKSJX-GFCCVEGCSA-N 0 1 379.306 3.019 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cn1 ZINC000155726182 1423506884 /nfs/dbraw/zinc/50/68/84/1423506884.db2.gz UWZFWFHWUIZPIL-HNNXBMFYSA-N 0 1 378.432 3.073 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(Cn2ccnn2)CC1)c1ccc2c(c1)CCCC2 ZINC000155732035 1423508680 /nfs/dbraw/zinc/50/86/80/1423508680.db2.gz ZLUFOVDZRWQVGG-QZTJIDSGSA-N 0 1 395.551 3.135 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000155749837 1423516018 /nfs/dbraw/zinc/51/60/18/1423516018.db2.gz UOUOJPHNZVFFIX-UHFFFAOYSA-N 0 1 398.438 3.281 20 0 GGADMN COc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000155749666 1423516271 /nfs/dbraw/zinc/51/62/71/1423516271.db2.gz HXKFOZYXYKOLJO-OAHLLOKOSA-N 0 1 392.459 3.225 20 0 GGADMN COc1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000155749785 1423516286 /nfs/dbraw/zinc/51/62/86/1423516286.db2.gz HXKFOZYXYKOLJO-HNNXBMFYSA-N 0 1 392.459 3.225 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155758905 1423520891 /nfs/dbraw/zinc/52/08/91/1423520891.db2.gz ORLVIRCAHQTGNE-ICSRJNTNSA-N 0 1 391.519 3.264 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)C(=O)NCc4ccc(F)cc4)C3)[nH]c2c1 ZINC000155760402 1423521947 /nfs/dbraw/zinc/52/19/47/1423521947.db2.gz ZCFQVWLYYDWZPF-INIZCTEOSA-N 0 1 394.450 3.033 20 0 GGADMN CC(=O)NC1(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)CCCCC1 ZINC000155769105 1423525854 /nfs/dbraw/zinc/52/58/54/1423525854.db2.gz ILFDBOGCTQRCLA-QGZVFWFLSA-N 0 1 382.508 3.416 20 0 GGADMN COc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)on1 ZINC000155776165 1423529010 /nfs/dbraw/zinc/52/90/10/1423529010.db2.gz CXLAZSQTLFDDFQ-UHFFFAOYSA-N 0 1 386.452 3.140 20 0 GGADMN CCNC(=O)NC1(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)CCCC1 ZINC000155780708 1423531174 /nfs/dbraw/zinc/53/11/74/1423531174.db2.gz IVUZHQZMLUXCPJ-INIZCTEOSA-N 0 1 397.523 3.209 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)C4(O)Cc5ccccc5C4)C3)[nH]c2c1 ZINC000155783138 1423532131 /nfs/dbraw/zinc/53/21/31/1423532131.db2.gz JVBQYAHXDJIXKN-SFHVURJKSA-N 0 1 375.472 3.107 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C4(O)Cc5ccccc5C4)C3)[nH]c2c1 ZINC000155783035 1423532147 /nfs/dbraw/zinc/53/21/47/1423532147.db2.gz JVBQYAHXDJIXKN-GOSISDBHSA-N 0 1 375.472 3.107 20 0 GGADMN CCCOc1ccc(CNc2cc(-n3cccn3)nc(N)n2)c(OC(F)F)c1 ZINC000179936595 1429650860 /nfs/dbraw/zinc/65/08/60/1429650860.db2.gz PEPYMEQYDJELOI-UHFFFAOYSA-N 0 1 390.394 3.247 20 0 GGADMN O=C(CN1CCC[C@H](c2nnc3ccccn32)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000155789213 1423535274 /nfs/dbraw/zinc/53/52/74/1423535274.db2.gz BFDVBACBEFWGEY-QYZOEREBSA-N 0 1 381.524 3.090 20 0 GGADMN NC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)ccc21 ZINC000155792468 1423536548 /nfs/dbraw/zinc/53/65/48/1423536548.db2.gz WXROUSMXELLFIX-FQEVSTJZSA-N 0 1 378.476 3.121 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C)cc3OC)CC2)cc1 ZINC000155798204 1423539304 /nfs/dbraw/zinc/53/93/04/1423539304.db2.gz CQXSYORXXCKECA-UHFFFAOYSA-N 0 1 397.519 3.430 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3ccc(C)cc3OC)CC2)cc1 ZINC000155798204 1423539310 /nfs/dbraw/zinc/53/93/10/1423539310.db2.gz CQXSYORXXCKECA-UHFFFAOYSA-N 0 1 397.519 3.430 20 0 GGADMN CC(C)CN1N=C(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)CCC1=O ZINC000155801640 1423539891 /nfs/dbraw/zinc/53/98/91/1423539891.db2.gz GSPMPGWWFRXGEV-CQSZACIVSA-N 0 1 381.461 3.016 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cc(F)c(OC)cc2F)N(C)C)c1 ZINC000155803638 1423541088 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3.036 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000821650648 1423558893 /nfs/dbraw/zinc/55/88/93/1423558893.db2.gz WFFYRDGUPPGPHO-QSFXBCCZSA-N 0 1 391.475 3.267 20 0 GGADMN C[NH+](C)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581933 1423558937 /nfs/dbraw/zinc/55/89/37/1423558937.db2.gz YIGBBQGWIDZBPJ-INIZCTEOSA-N 0 1 394.870 3.178 20 0 GGADMN C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000155850047 1423560748 /nfs/dbraw/zinc/56/07/48/1423560748.db2.gz UDXVQAXAFUQZDK-FUHWJXTLSA-N 0 1 375.513 3.008 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]CC[C@H]3CCCCO3)c2)c1 ZINC000826515885 1423560827 /nfs/dbraw/zinc/56/08/27/1423560827.db2.gz OINPFDFUQQUDHY-LJQANCHMSA-N 0 1 393.491 3.495 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3c[nH]c4ncccc34)cc2)C[C@@H](C)O1 ZINC000155893204 1423580770 /nfs/dbraw/zinc/58/07/70/1423580770.db2.gz CXVPFPVCHJEMNN-IAGOWNOFSA-N 0 1 392.503 3.031 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC(C)(C)c1cccc(Cl)c1)N1CCN(C)CC1 ZINC000155897951 1423583205 /nfs/dbraw/zinc/58/32/05/1423583205.db2.gz QIHSSWYMGXJDJT-GOSISDBHSA-N 0 1 380.964 3.146 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000155904203 1423587317 /nfs/dbraw/zinc/58/73/17/1423587317.db2.gz LGWJOADQBMQSLF-UXHICEINSA-N 0 1 390.572 3.487 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)o1 ZINC000155904203 1423587336 /nfs/dbraw/zinc/58/73/36/1423587336.db2.gz LGWJOADQBMQSLF-UXHICEINSA-N 0 1 390.572 3.487 20 0 GGADMN CC[C@@H](NCc1cnc2ccc(C)cn12)c1ccccc1OCC(=O)N(C)C ZINC000155905178 1423588024 /nfs/dbraw/zinc/58/80/24/1423588024.db2.gz NJDWAZJUCDVEQM-LJQANCHMSA-N 0 1 380.492 3.351 20 0 GGADMN Cn1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179934700 1429650093 /nfs/dbraw/zinc/65/00/93/1429650093.db2.gz NZMHJLVCTDDTNI-LJQANCHMSA-N 0 1 395.507 3.448 20 0 GGADMN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000155943189 1423604045 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SXRJYGFRGFEMBA-ZIAGYGMSSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825000609 1429656526 /nfs/dbraw/zinc/65/65/26/1429656526.db2.gz SXRJYGFRGFEMBA-ZIAGYGMSSA-N 0 1 383.887 3.014 20 0 GGADMN CN(Cc1ccc(Cl)c(F)c1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000155984233 1423620275 /nfs/dbraw/zinc/62/02/75/1423620275.db2.gz LSLQOHMBYIETDK-UHFFFAOYSA-N 0 1 391.855 3.136 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000179948072 1429657516 /nfs/dbraw/zinc/65/75/16/1429657516.db2.gz GFHCCRPWUXLFSS-OAHLLOKOSA-N 0 1 375.490 3.492 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(OCCOC)cc2)cc1 ZINC000179947958 1429657659 /nfs/dbraw/zinc/65/76/59/1429657659.db2.gz SFCDHMCYIQAHNT-INIZCTEOSA-N 0 1 377.506 3.356 20 0 GGADMN O=C(COC[C@@H]1CCOC1)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000155990724 1423624550 /nfs/dbraw/zinc/62/45/50/1423624550.db2.gz YEBOWCPSVFPSRP-OAHLLOKOSA-N 0 1 378.432 3.130 20 0 GGADMN O=C(COC[C@@H]1CCOC1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000155990724 1423624555 /nfs/dbraw/zinc/62/45/55/1423624555.db2.gz YEBOWCPSVFPSRP-OAHLLOKOSA-N 0 1 378.432 3.130 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cccc3cn[nH]c32)ccc1F ZINC000155995439 1423626384 /nfs/dbraw/zinc/62/63/84/1423626384.db2.gz YDLBVTJSWWOSDN-UHFFFAOYSA-N 0 1 390.440 3.031 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cnn(CC(C)C)c3C3CC3)n2)cc1 ZINC000155998729 1423627631 /nfs/dbraw/zinc/62/76/31/1423627631.db2.gz VPXBDQAVFKSYOE-UHFFFAOYSA-N 0 1 394.479 3.140 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cnn(CC(C)C)c3C3CC3)n[nH]2)cc1 ZINC000155998729 1423627636 /nfs/dbraw/zinc/62/76/36/1423627636.db2.gz VPXBDQAVFKSYOE-UHFFFAOYSA-N 0 1 394.479 3.140 20 0 GGADMN C[NH+](C)Cc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736770685 1423630053 /nfs/dbraw/zinc/63/00/53/1423630053.db2.gz DVYSFHPOHMRBHJ-UHFFFAOYSA-N 0 1 387.900 3.391 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)c1C ZINC000156009080 1423632599 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FAXAFUWMCYUMRG-CHWSQXEVSA-N 0 1 385.516 3.069 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000156071999 1423660237 /nfs/dbraw/zinc/66/02/37/1423660237.db2.gz JPCNKQWMAMTYIR-NRFANRHFSA-N 0 1 382.508 3.142 20 0 GGADMN COC(=O)NC(C)(C)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000156073588 1423660413 /nfs/dbraw/zinc/66/04/13/1423660413.db2.gz GOJFIEZOZWXNOB-UHFFFAOYSA-N 0 1 379.420 3.212 20 0 GGADMN COC(=O)NC(C)(C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000156073588 1423660421 /nfs/dbraw/zinc/66/04/21/1423660421.db2.gz GOJFIEZOZWXNOB-UHFFFAOYSA-N 0 1 379.420 3.212 20 0 GGADMN CS(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000156076186 1423662368 /nfs/dbraw/zinc/66/23/68/1423662368.db2.gz LMTVKMGZTJMWQH-MRXNPFEDSA-N 0 1 393.530 3.221 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000156088646 1423666850 /nfs/dbraw/zinc/66/68/50/1423666850.db2.gz VGGNREIJDUCSKG-CQSZACIVSA-N 0 1 395.290 3.127 20 0 GGADMN O[C@@H](Cc1ccc(C(F)(F)F)cc1)CN1CCCN(CC(F)(F)F)CC1 ZINC000156094048 1423669696 /nfs/dbraw/zinc/66/96/96/1423669696.db2.gz HDGIRXYQGJXERL-HNNXBMFYSA-N 0 1 384.364 3.179 20 0 GGADMN C[C@@H](CC(=O)N1CCN(CC2CC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000156096661 1423670943 /nfs/dbraw/zinc/67/09/43/1423670943.db2.gz IFHFOMGLPAAYMT-KRWDZBQOSA-N 0 1 393.572 3.214 20 0 GGADMN CCOC(=O)C[C@@H]1CCCN1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000156103470 1423673425 /nfs/dbraw/zinc/67/34/25/1423673425.db2.gz OPKNFHDIJOAKGR-SFHVURJKSA-N 0 1 395.503 3.201 20 0 GGADMN CC[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cc(F)ccc1F ZINC000156110523 1423677000 /nfs/dbraw/zinc/67/70/00/1423677000.db2.gz AORNMUGLYKZQQP-HNAYVOBHSA-N 0 1 381.467 3.170 20 0 GGADMN C[S@](=O)c1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000156121339 1423681609 /nfs/dbraw/zinc/68/16/09/1423681609.db2.gz MKXDGINZCXQXHG-XGCWNURASA-N 0 1 396.434 3.338 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(C)ccc1Cl)c1ccco1 ZINC000156121349 1423681631 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GGADMN CC[C@@H](NC(=O)N1CCN(c2cc(OC)ccn2)CC1)c1cc(F)ccc1F ZINC000156141669 1423691076 /nfs/dbraw/zinc/69/10/76/1423691076.db2.gz WVTHZZAVZKCMDX-GOSISDBHSA-N 0 1 390.434 3.351 20 0 GGADMN CCOC(=O)C[C@@H]1CCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000156153302 1423697120 /nfs/dbraw/zinc/69/71/20/1423697120.db2.gz BFHPGXBUBQULOD-BBRMVZONSA-N 0 1 397.313 3.044 20 0 GGADMN CCc1ccc(C2=CC[N@@H+](Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)cc1 ZINC000825704620 1423701428 /nfs/dbraw/zinc/70/14/28/1423701428.db2.gz KRQUOEHEGRESAN-UHFFFAOYSA-N 0 1 385.475 3.366 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000156166870 1423703069 /nfs/dbraw/zinc/70/30/69/1423703069.db2.gz KHZNFWSSHGSDSR-UHFFFAOYSA-N 0 1 398.854 3.351 20 0 GGADMN O=C(Nc1ccc2c(c1)NC(=O)CC2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000156182262 1423710023 /nfs/dbraw/zinc/71/00/23/1423710023.db2.gz IVNSYUFWHRKJCR-UHFFFAOYSA-N 0 1 396.466 3.497 20 0 GGADMN C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000156195749 1423719755 /nfs/dbraw/zinc/71/97/55/1423719755.db2.gz KVDPOHPIGLSQQB-QAPCUYQASA-N 0 1 388.537 3.134 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000156208828 1423726769 /nfs/dbraw/zinc/72/67/69/1423726769.db2.gz KGIMYPFFKJYHLG-UHFFFAOYSA-N 0 1 388.468 3.495 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000826169327 1423728253 /nfs/dbraw/zinc/72/82/53/1423728253.db2.gz PDGGZMAVCMQWOU-LJQANCHMSA-N 0 1 378.480 3.278 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000156246535 1423742018 /nfs/dbraw/zinc/74/20/18/1423742018.db2.gz XIUXVRGBNSPIGQ-RDJZCZTQSA-N 0 1 393.532 3.128 20 0 GGADMN CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000132805449 1423745133 /nfs/dbraw/zinc/74/51/33/1423745133.db2.gz VLZZMDNVPLRWFT-UHFFFAOYSA-N 0 1 376.464 3.108 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(C(=O)NC2CC2)cc1 ZINC000156270434 1423752215 /nfs/dbraw/zinc/75/22/15/1423752215.db2.gz ZPIMVVQAYSAKDB-GOSISDBHSA-N 0 1 383.517 3.207 20 0 GGADMN COCCC1(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC000826155164 1423771657 /nfs/dbraw/zinc/77/16/57/1423771657.db2.gz ISEIYEMZDOMRKA-UHFFFAOYSA-N 0 1 398.555 3.018 20 0 GGADMN CCn1ncc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(=O)OC)cc21 ZINC000156312621 1423773533 /nfs/dbraw/zinc/77/35/33/1423773533.db2.gz PLSVDCFMCJWVEF-UHFFFAOYSA-N 0 1 393.852 3.297 20 0 GGADMN O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000156318588 1423776067 /nfs/dbraw/zinc/77/60/67/1423776067.db2.gz BIBYRKAKDCVABW-HNNXBMFYSA-N 0 1 377.231 3.242 20 0 GGADMN CN1CCN(c2cc(CNC(=O)C3(c4cccs4)CCCCC3)ccn2)CC1 ZINC000156323371 1423778664 /nfs/dbraw/zinc/77/86/64/1423778664.db2.gz RTYQJJYRCUKUAY-UHFFFAOYSA-N 0 1 398.576 3.413 20 0 GGADMN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000156323731 1423778729 /nfs/dbraw/zinc/77/87/29/1423778729.db2.gz NNMNKYULXIYYEY-UHFFFAOYSA-N 0 1 386.477 3.472 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000156350861 1423793320 /nfs/dbraw/zinc/79/33/20/1423793320.db2.gz MYECDHBDCAHYER-UHFFFAOYSA-N 0 1 395.438 3.188 20 0 GGADMN C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572958 1423794717 /nfs/dbraw/zinc/79/47/17/1423794717.db2.gz YIEFFAPLUZLDKS-GTNSWQLSSA-N 0 1 395.360 3.107 20 0 GGADMN COc1ccc2c(c1)[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)CC2 ZINC000821849986 1423795627 /nfs/dbraw/zinc/79/56/27/1423795627.db2.gz UQHWFRCOIBDAMC-IBGZPJMESA-N 0 1 381.505 3.386 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139850496 1423797909 /nfs/dbraw/zinc/79/79/09/1423797909.db2.gz BXDCNJXMAVPFPB-LJQANCHMSA-N 0 1 390.491 3.477 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139850496 1423797915 /nfs/dbraw/zinc/79/79/15/1423797915.db2.gz BXDCNJXMAVPFPB-LJQANCHMSA-N 0 1 390.491 3.477 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824546171 1423798546 /nfs/dbraw/zinc/79/85/46/1423798546.db2.gz GSJRHSZHOCSCAR-DZGCQCFKSA-N 0 1 384.434 3.465 20 0 GGADMN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000156392271 1423804381 /nfs/dbraw/zinc/80/43/81/1423804381.db2.gz YDNJKNKOBAIDTA-GOSISDBHSA-N 0 1 392.459 3.155 20 0 GGADMN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000156392013 1423804613 /nfs/dbraw/zinc/80/46/13/1423804613.db2.gz YDNJKNKOBAIDTA-SFHVURJKSA-N 0 1 392.459 3.155 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCc1cnn(C)c1C)N1CCCCC1 ZINC000156404283 1423806120 /nfs/dbraw/zinc/80/61/20/1423806120.db2.gz VCOGMYVIUXBOQL-FQEVSTJZSA-N 0 1 384.524 3.013 20 0 GGADMN O=C(Nc1nc(Br)ccc1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156408053 1423806754 /nfs/dbraw/zinc/80/67/54/1423806754.db2.gz JTJFUSMCAYNSFK-UHFFFAOYSA-N 0 1 389.165 3.258 20 0 GGADMN COc1cc(CN2CCN(C)C[C@H]2c2ccccc2)ccc1OC(=O)C1CC1 ZINC000156473289 1423814852 /nfs/dbraw/zinc/81/48/52/1423814852.db2.gz KVFWCJQFZNXMPL-FQEVSTJZSA-N 0 1 380.488 3.499 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000156488255 1423817428 /nfs/dbraw/zinc/81/74/28/1423817428.db2.gz SYMPCMSJSUJVPM-SFHVURJKSA-N 0 1 381.520 3.257 20 0 GGADMN O=C(NCCN1CCCCC1)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000156497551 1423819043 /nfs/dbraw/zinc/81/90/43/1423819043.db2.gz NZQBYZOWGWXZPS-UHFFFAOYSA-N 0 1 389.565 3.403 20 0 GGADMN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 ZINC000156506547 1423820300 /nfs/dbraw/zinc/82/03/00/1423820300.db2.gz YPTDRGTXDFQBGA-MRXNPFEDSA-N 0 1 394.475 3.106 20 0 GGADMN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 ZINC000156506424 1423820311 /nfs/dbraw/zinc/82/03/11/1423820311.db2.gz YPTDRGTXDFQBGA-INIZCTEOSA-N 0 1 394.475 3.106 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000156506582 1423820356 /nfs/dbraw/zinc/82/03/56/1423820356.db2.gz CTHYXIDSZNDUGW-SFHVURJKSA-N 0 1 381.476 3.218 20 0 GGADMN C[C@@H](CN(C)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21)c1nn[nH]n1 ZINC000156538792 1423825165 /nfs/dbraw/zinc/82/51/65/1423825165.db2.gz ATZLEDZCHBGTSE-NSHDSACASA-N 0 1 397.483 3.078 20 0 GGADMN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000156543058 1423825681 /nfs/dbraw/zinc/82/56/81/1423825681.db2.gz YMSCGIXZMWDFJM-NWDGAFQWSA-N 0 1 395.219 3.359 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C[C@H](c2ccsc2)O1 ZINC000156544185 1423825950 /nfs/dbraw/zinc/82/59/50/1423825950.db2.gz QYQFUDDEZNFFEM-LAUBAEHRSA-N 0 1 399.560 3.098 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)[nH]n2)c1 ZINC000156551024 1423826883 /nfs/dbraw/zinc/82/68/83/1423826883.db2.gz JPVWEEMBYXTHPB-UHFFFAOYSA-N 0 1 376.416 3.464 20 0 GGADMN COc1ccc(Br)c(CC(=O)OCc2ccc3[nH]nnc3c2)c1 ZINC000156551913 1423827544 /nfs/dbraw/zinc/82/75/44/1423827544.db2.gz OGDRLUKEZJOYKL-UHFFFAOYSA-N 0 1 376.210 3.015 20 0 GGADMN COc1ccc(Br)c(CC(=O)OCc2ccc3nn[nH]c3c2)c1 ZINC000156551913 1423827545 /nfs/dbraw/zinc/82/75/45/1423827545.db2.gz OGDRLUKEZJOYKL-UHFFFAOYSA-N 0 1 376.210 3.015 20 0 GGADMN CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000156557822 1423828302 /nfs/dbraw/zinc/82/83/02/1423828302.db2.gz LLVOIMUASDNPMR-ZDUSSCGKSA-N 0 1 378.332 3.409 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000156561314 1423828575 /nfs/dbraw/zinc/82/85/75/1423828575.db2.gz YUDPYOQLGQOBBL-UHFFFAOYSA-N 0 1 397.494 3.177 20 0 GGADMN CC1CCN([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c2ccccc2)CC1 ZINC000820722818 1423828981 /nfs/dbraw/zinc/82/89/81/1423828981.db2.gz PJHUNUWBOIBKGG-SFHVURJKSA-N 0 1 382.537 3.491 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H](C)c1ccncc1 ZINC000156570448 1423829820 /nfs/dbraw/zinc/82/98/20/1423829820.db2.gz AYZOUKAUQKHXST-KRWDZBQOSA-N 0 1 382.508 3.364 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)ncc2Cl)c1 ZINC000156572118 1423830217 /nfs/dbraw/zinc/83/02/17/1423830217.db2.gz DMJBULGMGVLSIR-UHFFFAOYSA-N 0 1 375.233 3.140 20 0 GGADMN O=C(NCc1ccn(C2CCCC2)n1)c1ccc(CN2CCSCC2)cc1 ZINC000156579501 1423831595 /nfs/dbraw/zinc/83/15/95/1423831595.db2.gz RKCGTNDUQYBYAY-UHFFFAOYSA-N 0 1 384.549 3.477 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000156583904 1423832448 /nfs/dbraw/zinc/83/24/48/1423832448.db2.gz DSFHKQOWFYAQPM-SFHVURJKSA-N 0 1 381.476 3.218 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c(C)c1 ZINC000156587721 1423832604 /nfs/dbraw/zinc/83/26/04/1423832604.db2.gz IECAYDJZTPIUBT-UHFFFAOYSA-N 0 1 378.432 3.396 20 0 GGADMN CC(C)[NH+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C(C)C ZINC000824288265 1429675658 /nfs/dbraw/zinc/67/56/58/1429675658.db2.gz BMTGHSXCLDLZHG-UHFFFAOYSA-N 0 1 376.530 3.254 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)n[nH]1 ZINC000156596518 1423833846 /nfs/dbraw/zinc/83/38/46/1423833846.db2.gz IHWAZGHWPWPMSQ-AWEZNQCLSA-N 0 1 398.536 3.008 20 0 GGADMN CS(=O)(=O)c1ccc([C@@H](O)CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179985587 1429675734 /nfs/dbraw/zinc/67/57/34/1429675734.db2.gz APPYMPLMGDQJIS-SFHVURJKSA-N 0 1 381.444 3.071 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000156601462 1423834714 /nfs/dbraw/zinc/83/47/14/1423834714.db2.gz KOTJYSNKNNSZST-NRFANRHFSA-N 0 1 379.504 3.020 20 0 GGADMN COc1ccccc1OCCN(C)c1c(-c2nnn[n-]2)c[nH+]c2c(C)cccc21 ZINC000737152466 1423834836 /nfs/dbraw/zinc/83/48/36/1423834836.db2.gz OXLSXAPDWCSWLT-UHFFFAOYSA-N 0 1 390.447 3.247 20 0 GGADMN COc1cccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000156605810 1423835102 /nfs/dbraw/zinc/83/51/02/1423835102.db2.gz ADUTXCKAZACHAF-IBGZPJMESA-N 0 1 388.533 3.194 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CSCC(=O)c1ccccc1 ZINC000156618634 1423836738 /nfs/dbraw/zinc/83/67/38/1423836738.db2.gz AYVFEFPBMLXNCL-PXNSSMCTSA-N 0 1 382.529 3.239 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000156619929 1423836887 /nfs/dbraw/zinc/83/68/87/1423836887.db2.gz AVFZZGGNSBSKOI-HXUWFJFHSA-N 0 1 395.503 3.004 20 0 GGADMN Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)sc2nc(C)nc(N)c12 ZINC000156641760 1423839865 /nfs/dbraw/zinc/83/98/65/1423839865.db2.gz IXMDRWGJXYTHKC-BLLLJJGKSA-N 0 1 395.532 3.141 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000156650318 1423841059 /nfs/dbraw/zinc/84/10/59/1423841059.db2.gz OJSMIMKOYYRFCN-HNNXBMFYSA-N 0 1 399.539 3.309 20 0 GGADMN COC(=O)CCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)C1CCOCC1 ZINC000179986270 1429676327 /nfs/dbraw/zinc/67/63/27/1429676327.db2.gz JVGQMVXCESBGMC-UHFFFAOYSA-N 0 1 399.413 3.136 20 0 GGADMN CCCOc1ccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000156670895 1423844622 /nfs/dbraw/zinc/84/46/22/1423844622.db2.gz HJWTZGSCQWZOMX-INIZCTEOSA-N 0 1 389.521 3.261 20 0 GGADMN C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000156702821 1423851358 /nfs/dbraw/zinc/85/13/58/1423851358.db2.gz FYTQWAZQPMOTJO-UHFFFAOYSA-N 0 1 376.884 3.118 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413433 1429677329 /nfs/dbraw/zinc/67/73/29/1429677329.db2.gz PWYRTLOWYLBVMV-CVEARBPZSA-N 0 1 378.480 3.115 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@](C)(O)c1ccccc1Cl ZINC000156716424 1423853262 /nfs/dbraw/zinc/85/32/62/1423853262.db2.gz NNXGUENDCBPBAQ-MRXNPFEDSA-N 0 1 391.821 3.320 20 0 GGADMN Cc1csc(CN(C2CC2)S(=O)(=O)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000156724859 1423854977 /nfs/dbraw/zinc/85/49/77/1423854977.db2.gz KTGPAUNFYUWVKF-SFHVURJKSA-N 0 1 391.562 3.020 20 0 GGADMN COC(=O)c1sc2cccc(F)c2c1CN(C)C[C@H]1CCN(C(C)=O)C1 ZINC000156729787 1423855485 /nfs/dbraw/zinc/85/54/85/1423855485.db2.gz GOUNHRLWHQRXAJ-CYBMUJFWSA-N 0 1 378.469 3.127 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824506670 1423858869 /nfs/dbraw/zinc/85/88/69/1423858869.db2.gz PNYSKJJFOLWGKA-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506670 1423858874 /nfs/dbraw/zinc/85/88/74/1423858874.db2.gz PNYSKJJFOLWGKA-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506670 1423858880 /nfs/dbraw/zinc/85/88/80/1423858880.db2.gz PNYSKJJFOLWGKA-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-n2cccn2)ccc1Cl ZINC000156749293 1423858937 /nfs/dbraw/zinc/85/89/37/1423858937.db2.gz RQKHVAIEHYRVJD-UHFFFAOYSA-N 0 1 391.836 3.113 20 0 GGADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 ZINC000156787108 1423865152 /nfs/dbraw/zinc/86/51/52/1423865152.db2.gz YCRIDWNRELKUCE-AVRDEDQJSA-N 0 1 395.503 3.175 20 0 GGADMN Cc1c(NC(=O)NCCN2CCc3ccccc3C2)cnn1-c1ccccc1 ZINC000156826024 1423870840 /nfs/dbraw/zinc/87/08/40/1423870840.db2.gz GRORCAXUCWHETD-UHFFFAOYSA-N 0 1 375.476 3.361 20 0 GGADMN OCCN(Cc1cccnc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000156849534 1423874682 /nfs/dbraw/zinc/87/46/82/1423874682.db2.gz YAQFDJNETVFLPN-IBGZPJMESA-N 0 1 375.472 3.045 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(F)c1C#N ZINC000156854279 1423875873 /nfs/dbraw/zinc/87/58/73/1423875873.db2.gz HMGMIUZLNANDLT-UHFFFAOYSA-N 0 1 395.887 3.103 20 0 GGADMN CCCCn1c([C@@H](CC)N(C)C)nn(CN2CCC(OC(C)=O)CC2)c1=S ZINC000156874619 1423878733 /nfs/dbraw/zinc/87/87/33/1423878733.db2.gz NEXVCTMSKYMQGO-QGZVFWFLSA-N 0 1 397.589 3.212 20 0 GGADMN Cc1cc(OC[C@@H](O)CN(CCO)Cc2cccnc2)c(C(C)C)cc1Cl ZINC000156887413 1423881109 /nfs/dbraw/zinc/88/11/09/1423881109.db2.gz CQSCZOCCZCTZJJ-SFHVURJKSA-N 0 1 392.927 3.401 20 0 GGADMN CC(=O)Nc1ccc(OC[C@H](O)CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179993468 1429679717 /nfs/dbraw/zinc/67/97/17/1429679717.db2.gz PZGZQEBIJAQFKR-QGZVFWFLSA-N 0 1 390.430 3.332 20 0 GGADMN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000156903952 1423883513 /nfs/dbraw/zinc/88/35/13/1423883513.db2.gz AIONHIASBOAYSB-UHFFFAOYSA-N 0 1 381.413 3.304 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1c(C)cccc1F)c1ccsc1 ZINC000156922668 1423886318 /nfs/dbraw/zinc/88/63/18/1423886318.db2.gz LQIGWLFHRWTFAO-INIZCTEOSA-N 0 1 377.485 3.333 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000156958028 1423893270 /nfs/dbraw/zinc/89/32/70/1423893270.db2.gz HILCZONCZZEAIB-UHFFFAOYSA-N 0 1 393.900 3.185 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000156971504 1423895272 /nfs/dbraw/zinc/89/52/72/1423895272.db2.gz QBJWWQCRSZXVFO-NVXWUHKLSA-N 0 1 398.507 3.242 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)c2)n1 ZINC000156980345 1423896673 /nfs/dbraw/zinc/89/66/73/1423896673.db2.gz HXLPBBWYYFBZMQ-INIZCTEOSA-N 0 1 398.488 3.069 20 0 GGADMN CNC(=O)CCCN(C)Cn1cc(Br)c(-c2ccc(Cl)cc2)n1 ZINC000156990968 1423898304 /nfs/dbraw/zinc/89/83/04/1423898304.db2.gz SKOXWMKWFRYGOD-UHFFFAOYSA-N 0 1 399.720 3.382 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccccc3CN3CCOCC3)[nH]n2)cc1 ZINC000157024789 1423905583 /nfs/dbraw/zinc/90/55/83/1423905583.db2.gz BPEYYBVMPFONNI-UHFFFAOYSA-N 0 1 392.459 3.170 20 0 GGADMN COc1ccc(CCCC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(OC)c1 ZINC000157032225 1423907293 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CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCCCC1 ZINC000820357591 1423919723 /nfs/dbraw/zinc/91/97/23/1423919723.db2.gz IFSAYQDVLMKFJT-APWZRJJASA-N 0 1 399.543 3.128 20 0 GGADMN CC(=O)Nc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824000093 1429682796 /nfs/dbraw/zinc/68/27/96/1429682796.db2.gz UGXZRHHKSKFRGT-CQSZACIVSA-N 0 1 396.520 3.409 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000157085197 1423922014 /nfs/dbraw/zinc/92/20/14/1423922014.db2.gz OQXTWHIYIMCNFN-OTWHNJEPSA-N 0 1 388.556 3.475 20 0 GGADMN CCc1nn(C)c(Cl)c1C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000157134439 1423933831 /nfs/dbraw/zinc/93/38/31/1423933831.db2.gz HRPSWOIGEWDSDG-QGZVFWFLSA-N 0 1 390.915 3.211 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000180002607 1429684175 /nfs/dbraw/zinc/68/41/75/1429684175.db2.gz SJGTZJWOHQYNKX-LIRRHRJNSA-N 0 1 379.460 3.036 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N3CCCc4ccccc43)ccc2NC1=O 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396.346 3.240 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000157225183 1423960243 /nfs/dbraw/zinc/96/02/43/1423960243.db2.gz AIBLJIYHASQOEQ-FQEVSTJZSA-N 0 1 386.540 3.297 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000157225330 1423960418 /nfs/dbraw/zinc/96/04/18/1423960418.db2.gz AIBLJIYHASQOEQ-HXUWFJFHSA-N 0 1 386.540 3.297 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(N4CCCC[C@@H]4C)cc3C)CCO2)n[nH]1 ZINC000157230916 1423961824 /nfs/dbraw/zinc/96/18/24/1423961824.db2.gz YEXVTATXJZSVDT-KXBFYZLASA-N 0 1 398.511 3.406 20 0 GGADMN CCC(CC)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC000736338230 1423962008 /nfs/dbraw/zinc/96/20/08/1423962008.db2.gz QLXGIXLRTYUWDF-QGZVFWFLSA-N 0 1 380.500 3.122 20 0 GGADMN C[C@H](NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1)c1cnccn1 ZINC000157290207 1423976323 /nfs/dbraw/zinc/97/63/23/1423976323.db2.gz UNKSGIFIZWCEQF-DEYYWGMASA-N 0 1 378.879 3.382 20 0 GGADMN C[C@@H](NCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccc2c(c1)CCCC2 ZINC000157291599 1423976890 /nfs/dbraw/zinc/97/68/90/1423976890.db2.gz KBLPTJIKCNGYIE-IIBYNOLFSA-N 0 1 387.549 3.146 20 0 GGADMN O=C(c1cc(Oc2ccccc2)ccc1O)N1CCC(CN2CCOCC2)CC1 ZINC000157305907 1423980170 /nfs/dbraw/zinc/98/01/70/1423980170.db2.gz NWBLEAYVLIQJEA-UHFFFAOYSA-N 0 1 396.487 3.369 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(F)cc3F)ccc2NC1=O ZINC000180008539 1429687930 /nfs/dbraw/zinc/68/79/30/1429687930.db2.gz FSABXPBPEQPEHJ-PIGZYNQJSA-N 0 1 389.402 3.364 20 0 GGADMN Cc1cc(=O)oc2cc(OCCN3CCN(c4ccc(O)cc4)CC3)ccc12 ZINC000157310406 1423981288 /nfs/dbraw/zinc/98/12/88/1423981288.db2.gz FTSWIXZKAIRVJR-UHFFFAOYSA-N 0 1 380.444 3.008 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000825390472 1423989199 /nfs/dbraw/zinc/98/91/99/1423989199.db2.gz GCLDJAPFCDMPDC-UHFFFAOYSA-N 0 1 377.496 3.204 20 0 GGADMN CC[N@H+](C)Cc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000825390472 1423989203 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Cn1cnc2cc(C(=O)N[C@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc21 ZINC000157470929 1424018528 /nfs/dbraw/zinc/01/85/28/1424018528.db2.gz OSACDCJDOXTTGD-KRWDZBQOSA-N 0 1 398.894 3.327 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000157480857 1424020378 /nfs/dbraw/zinc/02/03/78/1424020378.db2.gz LNEYQWOGGAZHKH-UHFFFAOYSA-N 0 1 382.424 3.071 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3ccc(F)c(F)c3)ccc2NC1=O ZINC000180013437 1429691490 /nfs/dbraw/zinc/69/14/90/1429691490.db2.gz AYVLYBYCTZSLBW-GTNSWQLSSA-N 0 1 389.402 3.364 20 0 GGADMN CCc1nc2ccccc2n1C1CCN(c2[nH+]ccc(C)c2-c2nnn[n-]2)CC1 ZINC000825750018 1424022373 /nfs/dbraw/zinc/02/23/73/1424022373.db2.gz IJUZNSMNJOORSN-UHFFFAOYSA-N 0 1 388.479 3.324 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCCc1cn[nH]n1 ZINC000157488125 1424022626 /nfs/dbraw/zinc/02/26/26/1424022626.db2.gz DKWNOUOKSAUKNN-UHFFFAOYSA-N 0 1 397.401 3.024 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)CCO1 ZINC000157516124 1424028404 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O=C(Nc1ccccc1)[C@@H](NC[C@H](O)COCc1ccco1)c1ccccc1 ZINC000157712433 1424071295 /nfs/dbraw/zinc/07/12/95/1424071295.db2.gz XJCDLSIQWAVWSZ-FPOVZHCZSA-N 0 1 380.444 3.127 20 0 GGADMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000735696669 1424071810 /nfs/dbraw/zinc/07/18/10/1424071810.db2.gz VQSSBRMQGGHOMS-IBGZPJMESA-N 0 1 392.479 3.035 20 0 GGADMN O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[C@@H](N2CC=CC2)C1 ZINC000157727704 1424075839 /nfs/dbraw/zinc/07/58/39/1424075839.db2.gz LMDDFBRPEIFVQJ-OAHLLOKOSA-N 0 1 387.534 3.308 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cnn(C(C)C)c2)ccc1N1CCSCC1 ZINC000157727848 1424076036 /nfs/dbraw/zinc/07/60/36/1424076036.db2.gz HIBFUEXMKYXSRS-UHFFFAOYSA-N 0 1 380.539 3.126 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000157741404 1424077763 /nfs/dbraw/zinc/07/77/63/1424077763.db2.gz UAUJKOPYZPJUHL-ROUUACIJSA-N 0 1 394.519 3.284 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000157741251 1424078247 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GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(F)c(Cl)nc3Cl)[nH]c21 ZINC000157790328 1424089071 /nfs/dbraw/zinc/08/90/71/1424089071.db2.gz ICVCTSYWSHSWGD-UHFFFAOYSA-N 0 1 383.166 3.443 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C)[nH]c21 ZINC000157794801 1424089713 /nfs/dbraw/zinc/08/97/13/1424089713.db2.gz YGKLLABSYWNGHC-UHFFFAOYSA-N 0 1 393.378 3.235 20 0 GGADMN Cc1ccc(NC(=O)C2CCN([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)nc1 ZINC000157804521 1424091461 /nfs/dbraw/zinc/09/14/61/1424091461.db2.gz AHADSVIXLOIDOE-FGTMMUONSA-N 0 1 386.540 3.219 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3coc(-c4ccccc4)n3)[nH]c21 ZINC000157801889 1424091712 /nfs/dbraw/zinc/09/17/12/1424091712.db2.gz WXLNIPHAESENBB-UHFFFAOYSA-N 0 1 376.372 3.186 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N([C@@H](C)C3CC3)C3CC3)ccc2NC1=O ZINC000180020922 1429697613 /nfs/dbraw/zinc/69/76/13/1429697613.db2.gz GURAGSAJJODSFD-NJSLBKSFSA-N 0 1 385.508 3.236 20 0 GGADMN CCc1c(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cnn1CC(C)C ZINC000157810263 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388.436 3.458 20 0 GGADMN COc1ccccc1[C@@H]1CCN(CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000157849472 1424103104 /nfs/dbraw/zinc/10/31/04/1424103104.db2.gz OKNIVLRPMYNCDF-QGZVFWFLSA-N 0 1 386.467 3.161 20 0 GGADMN COc1ccccc1[C@H]1CCN(CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000157849302 1424103371 /nfs/dbraw/zinc/10/33/71/1424103371.db2.gz OKNIVLRPMYNCDF-KRWDZBQOSA-N 0 1 386.467 3.161 20 0 GGADMN CCc1ccc([C@H](CO)NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000157885981 1424111807 /nfs/dbraw/zinc/11/18/07/1424111807.db2.gz FRDNHWLBLDFPTM-VQTJNVASSA-N 0 1 385.508 3.320 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N(C)Cc3ccccc3C)ccc2NC1=O ZINC000180022512 1429699225 /nfs/dbraw/zinc/69/92/25/1429699225.db2.gz FKFJBUBCGXFLOX-OXQOHEQNSA-N 0 1 395.503 3.414 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N[C@@H](C)c3ccccc3)ccc2NC1=O ZINC000180023364 1429699269 /nfs/dbraw/zinc/69/92/69/1429699269.db2.gz MULFETJQHFJJRM-ZRGWGRIASA-N 0 1 381.476 3.324 20 0 GGADMN COC(=O)CCCOc1ccc(NC(=O)[C@@H](N)c2cccc(Cl)c2)cc1 ZINC000157886387 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GGADMN COc1cccc([C@@H](CNC(=O)c2c(C)onc2-c2ccncc2)N(C)C)c1 ZINC000157922391 1424120899 /nfs/dbraw/zinc/12/08/99/1424120899.db2.gz JLVZFNAJMGZVHB-GOSISDBHSA-N 0 1 380.448 3.086 20 0 GGADMN COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821693569 1429699926 /nfs/dbraw/zinc/69/99/26/1429699926.db2.gz DUPKVYOUHWHAFI-LSDHHAIUSA-N 0 1 397.479 3.312 20 0 GGADMN O=C(CC[N@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000737842970 1424121292 /nfs/dbraw/zinc/12/12/92/1424121292.db2.gz GDQGCLGWDVQYQF-MRXNPFEDSA-N 0 1 396.520 3.354 20 0 GGADMN O=C(CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000737842970 1424121296 /nfs/dbraw/zinc/12/12/96/1424121296.db2.gz GDQGCLGWDVQYQF-MRXNPFEDSA-N 0 1 396.520 3.354 20 0 GGADMN O=C(CC[N@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000737842970 1424121299 /nfs/dbraw/zinc/12/12/99/1424121299.db2.gz GDQGCLGWDVQYQF-MRXNPFEDSA-N 0 1 396.520 3.354 20 0 GGADMN CCc1ccccc1CN[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000157949639 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20 0 GGADMN CC(C)[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)CCS1 ZINC000824225034 1424134891 /nfs/dbraw/zinc/13/48/91/1424134891.db2.gz RMPIYFRCCUABLW-AWEZNQCLSA-N 0 1 382.331 3.203 20 0 GGADMN O=C(CCN1CCc2cccc(F)c2C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000157992383 1424135876 /nfs/dbraw/zinc/13/58/76/1424135876.db2.gz JUNHRPHHJFIJDP-UHFFFAOYSA-N 0 1 381.451 3.339 20 0 GGADMN COc1ccccc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158016151 1424140447 /nfs/dbraw/zinc/14/04/47/1424140447.db2.gz BZBHZFXEUMWNRX-SFHVURJKSA-N 0 1 388.895 3.378 20 0 GGADMN CC[C@@H]1C[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820995766 1424150273 /nfs/dbraw/zinc/15/02/73/1424150273.db2.gz XIDPZDPUPNBEBE-ZBFHGGJFSA-N 0 1 396.520 3.382 20 0 GGADMN CC(C)NC(=O)c1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000158056078 1424150997 /nfs/dbraw/zinc/15/09/97/1424150997.db2.gz WVKOVTAUNJJDCY-UHFFFAOYSA-N 0 1 379.504 3.173 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnc(Cl)c1 ZINC000158057721 1424152097 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GGADMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC1(Cl)Cl ZINC000158082362 1424160933 /nfs/dbraw/zinc/16/09/33/1424160933.db2.gz WCBGYTAKOQEMEP-OLZOCXBDSA-N 0 1 377.699 3.320 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cccc(Cl)c3F)cc2)CC1 ZINC000158087202 1424163159 /nfs/dbraw/zinc/16/31/59/1424163159.db2.gz MZHAEGPCVODXOU-UHFFFAOYSA-N 0 1 391.874 3.358 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000180039313 1429708253 /nfs/dbraw/zinc/70/82/53/1429708253.db2.gz KZQGKRJHZALBDI-SCCNAQOGSA-N 0 1 387.568 3.111 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000158091256 1424165400 /nfs/dbraw/zinc/16/54/00/1424165400.db2.gz ANSSKQVZIBWVMM-HNNXBMFYSA-N 0 1 396.491 3.222 20 0 GGADMN COc1ccccc1[C@@H]1CCN(CC(=O)NCCCOc2ccccc2F)C1 ZINC000158095950 1424166762 /nfs/dbraw/zinc/16/67/62/1424166762.db2.gz BVFOMXYIBWHAJB-QGZVFWFLSA-N 0 1 386.467 3.209 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCCC3)N2CCCC2)o1 ZINC000158098737 1424167502 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/nfs/dbraw/zinc/16/98/94/1424169894.db2.gz GXURCGIHNOXHLU-KXBFYZLASA-N 0 1 376.464 3.073 20 0 GGADMN COc1cc2c(cc1CNC(=O)NC[C@H](c1ccco1)N1CCCC1)O[C@H](C)C2 ZINC000158128464 1424173955 /nfs/dbraw/zinc/17/39/55/1424173955.db2.gz NKZBOCRPWIJMSH-CRAIPNDOSA-N 0 1 399.491 3.248 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000180040199 1429709001 /nfs/dbraw/zinc/70/90/01/1429709001.db2.gz JYGJHSHAYXHAHG-SFHLNBCPSA-N 0 1 387.568 3.111 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCc3cnn(C)c3C(F)(F)F)ccc2NC1=O ZINC000180033478 1429705071 /nfs/dbraw/zinc/70/50/71/1429705071.db2.gz WCPBZVORAZOMNZ-HZMBPMFUSA-N 0 1 382.386 3.399 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)C(=O)N1CCCCC1 ZINC000180032766 1429705134 /nfs/dbraw/zinc/70/51/34/1429705134.db2.gz KSOYZLUNOHADSS-HCCHORAYSA-N 0 1 391.943 3.144 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000158212873 1424196903 /nfs/dbraw/zinc/19/69/03/1424196903.db2.gz OZRBKCQIMXQVAJ-UHFFFAOYSA-N 0 1 395.438 3.225 20 0 GGADMN CN(C)C(=O)[C@H](c1ccccc1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158213112 1424197108 /nfs/dbraw/zinc/19/71/08/1424197108.db2.gz AUBDMIFBEZUKLW-PGRDOPGGSA-N 0 1 387.524 3.149 20 0 GGADMN O=C(Nc1cccc(CN2CCCCC2=O)c1)N1CCN(C2CCCC2)CC1 ZINC000158225241 1424200604 /nfs/dbraw/zinc/20/06/04/1424200604.db2.gz XSGLIYYLVRYAAN-UHFFFAOYSA-N 0 1 384.524 3.291 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN([C@@H]3CCN(c4ccccc4)C3=O)C2)C1 ZINC000158224346 1424200636 /nfs/dbraw/zinc/20/06/36/1424200636.db2.gz MZHCMLBKSRPRCY-GCJKJVERSA-N 0 1 385.508 3.125 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3ccc(Cl)cn3)ccc2NC1=O ZINC000180034028 1429705769 /nfs/dbraw/zinc/70/57/69/1429705769.db2.gz GWCGMINVRLSVBG-XHDPSFHLSA-N 0 1 388.855 3.134 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccnn2C(C)C)CC1 ZINC000158246861 1424206370 /nfs/dbraw/zinc/20/63/70/1424206370.db2.gz KPDRQVWQPJXBEX-MRXNPFEDSA-N 0 1 387.503 3.236 20 0 GGADMN CCOc1c(Cl)cc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1OC ZINC000158249418 1424207740 /nfs/dbraw/zinc/20/77/40/1424207740.db2.gz MOKMCMVZLHEEPW-ZDUSSCGKSA-N 0 1 394.821 3.390 20 0 GGADMN Clc1ccc(C[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)cc1 ZINC000826352366 1424212330 /nfs/dbraw/zinc/21/23/30/1424212330.db2.gz YHFRDBHJIGVNEY-UHFFFAOYSA-N 0 1 379.855 3.332 20 0 GGADMN Clc1ccc(C[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)cc1 ZINC000826352366 1424212338 /nfs/dbraw/zinc/21/23/38/1424212338.db2.gz YHFRDBHJIGVNEY-UHFFFAOYSA-N 0 1 379.855 3.332 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)n[nH]1 ZINC000158290400 1424217876 /nfs/dbraw/zinc/21/78/76/1424217876.db2.gz PCIXQGGONTWNKS-UVBSCNOISA-N 0 1 376.888 3.474 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000158296524 1424219548 /nfs/dbraw/zinc/21/95/48/1424219548.db2.gz OOGKJAXHTYCVJL-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158298081 1424220157 /nfs/dbraw/zinc/22/01/57/1424220157.db2.gz RRTVJSGPDCKSJV-VGSWGCGISA-N 0 1 387.524 3.024 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000158301711 1424221138 /nfs/dbraw/zinc/22/11/38/1424221138.db2.gz KGVJFSKRMOLDEM-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000158302994 1424221178 /nfs/dbraw/zinc/22/11/78/1424221178.db2.gz UXWXOFAKCSJISE-SFHVURJKSA-N 0 1 396.422 3.119 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)N2CCCC2)o1 ZINC000158314542 1424224277 /nfs/dbraw/zinc/22/42/77/1424224277.db2.gz OCAKKKMBILCYGI-MJGOQNOKSA-N 0 1 385.512 3.177 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CN3c4ccccc4O[C@H](C)C3=O)c2C1 ZINC000158329276 1424227802 /nfs/dbraw/zinc/22/78/02/1424227802.db2.gz QEGGYNWSUXHVGX-MRXNPFEDSA-N 0 1 393.487 3.411 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)c2C1 ZINC000158332297 1424228455 /nfs/dbraw/zinc/22/84/55/1424228455.db2.gz KVBNNTNKPMRPCT-UHFFFAOYSA-N 0 1 387.505 3.282 20 0 GGADMN CCCNC(=O)CN[C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000158357632 1424235523 /nfs/dbraw/zinc/23/55/23/1424235523.db2.gz QFHGDGGIWXNWBS-ZDUSSCGKSA-N 0 1 391.537 3.236 20 0 GGADMN CCOc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000825648843 1424237801 /nfs/dbraw/zinc/23/78/01/1424237801.db2.gz DROLFGALHMLVQY-UHFFFAOYSA-N 0 1 394.479 3.140 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CCN3C(=O)COc4ccccc43)c2C1 ZINC000158376045 1424239824 /nfs/dbraw/zinc/23/98/24/1424239824.db2.gz SOIHJXURIBIRKV-UHFFFAOYSA-N 0 1 393.487 3.412 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000158384963 1424242087 /nfs/dbraw/zinc/24/20/87/1424242087.db2.gz XLHIEZZIAQKELL-UHFFFAOYSA-N 0 1 388.443 3.176 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826218576 1424242394 /nfs/dbraw/zinc/24/23/94/1424242394.db2.gz GSIHECXGLWODHY-GOSISDBHSA-N 0 1 389.463 3.250 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826218576 1424242402 /nfs/dbraw/zinc/24/24/02/1424242402.db2.gz GSIHECXGLWODHY-GOSISDBHSA-N 0 1 389.463 3.250 20 0 GGADMN O=C(NOCCC(F)(F)F)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000158392225 1424243341 /nfs/dbraw/zinc/24/33/41/1424243341.db2.gz LKCOJMXMUQQDCB-ZDUSSCGKSA-N 0 1 399.335 3.463 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)CCCOCCc3ccccc3)[nH]c21 ZINC000158402782 1424245733 /nfs/dbraw/zinc/24/57/33/1424245733.db2.gz DICOZNCRPLYXQR-UHFFFAOYSA-N 0 1 381.432 3.328 20 0 GGADMN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC2(CCCC2)CC1 ZINC000158403971 1424246031 /nfs/dbraw/zinc/24/60/31/1424246031.db2.gz UUUWSPOVGOZJFA-CYBMUJFWSA-N 0 1 397.441 3.203 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)C3(c4ccc(C)c(OC)c4)CC3)[nH]c21 ZINC000158404279 1424246666 /nfs/dbraw/zinc/24/66/66/1424246666.db2.gz QMSVCOFJKYQPAA-UHFFFAOYSA-N 0 1 379.416 3.337 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3OC(F)F)[nH]c21 ZINC000158414720 1424248352 /nfs/dbraw/zinc/24/83/52/1424248352.db2.gz DTPJUAMVYAWQHF-UHFFFAOYSA-N 0 1 375.331 3.132 20 0 GGADMN CCc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)cnn1-c1ccccc1 ZINC000158418522 1424249921 /nfs/dbraw/zinc/24/99/21/1424249921.db2.gz DWMPOWYJSWGDTR-UHFFFAOYSA-N 0 1 389.415 3.350 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)C3(c4cccc(F)c4)CCOCC3)[nH]c21 ZINC000158432339 1424252832 /nfs/dbraw/zinc/25/28/32/1424252832.db2.gz ZVJWCRLIZZGNJZ-UHFFFAOYSA-N 0 1 397.406 3.176 20 0 GGADMN CCC[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nnc2ccccn21 ZINC000158434840 1424253649 /nfs/dbraw/zinc/25/36/49/1424253649.db2.gz ROFZXCYDLKYYFI-SJORKVTESA-N 0 1 396.495 3.300 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)[nH]c21 ZINC000158435366 1424253685 /nfs/dbraw/zinc/25/36/85/1424253685.db2.gz IJPRWFVVZSCBAS-UHFFFAOYSA-N 0 1 388.383 3.161 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](COC)C2CC2)CC1 ZINC000158434583 1424253790 /nfs/dbraw/zinc/25/37/90/1424253790.db2.gz PVANYYTWXZRMAR-KRWDZBQOSA-N 0 1 380.920 3.028 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000158440454 1424255696 /nfs/dbraw/zinc/25/56/96/1424255696.db2.gz LYNROWLMGZJQDN-UHFFFAOYSA-N 0 1 380.485 3.488 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(N4CCC(C)CC4)nc3)[nH]c21 ZINC000158449602 1424257366 /nfs/dbraw/zinc/25/73/66/1424257366.db2.gz OMUSEVNAFKOZDK-UHFFFAOYSA-N 0 1 393.447 3.233 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000158449493 1424257870 /nfs/dbraw/zinc/25/78/70/1424257870.db2.gz OUGISQATQKMRBB-MRXNPFEDSA-N 0 1 393.528 3.392 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545903 1424257977 /nfs/dbraw/zinc/25/79/77/1424257977.db2.gz FFSOGBANTFRCLI-CZUORRHYSA-N 0 1 384.434 3.465 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(-c4ccccc4C)c3C)[nH]c21 ZINC000158455305 1424260032 /nfs/dbraw/zinc/26/00/32/1424260032.db2.gz DSAFKVOPOPPGSR-UHFFFAOYSA-N 0 1 389.415 3.404 20 0 GGADMN CCC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000180046354 1429712104 /nfs/dbraw/zinc/71/21/04/1429712104.db2.gz VXJBDPKXRXEJHZ-YQVWRLOYSA-N 0 1 391.531 3.350 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2nnc(C(F)F)n2c1 ZINC000158474705 1424267610 /nfs/dbraw/zinc/26/76/10/1424267610.db2.gz CMXUSFGTRQJRHT-CYBMUJFWSA-N 0 1 391.447 3.295 20 0 GGADMN CCNC(=O)C(C)(C)CN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000158483317 1424269206 /nfs/dbraw/zinc/26/92/06/1424269206.db2.gz NARKPWCABVONDH-IBGZPJMESA-N 0 1 383.492 3.127 20 0 GGADMN CC[C@@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(OC)cc1 ZINC000158483856 1424269331 /nfs/dbraw/zinc/26/93/31/1424269331.db2.gz KISIZHWOKFUVJL-IBGZPJMESA-N 0 1 396.535 3.042 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(Cc3cnc4ccccn34)CC2)cc1F ZINC000158497779 1424272906 /nfs/dbraw/zinc/27/29/06/1424272906.db2.gz DXSSCTKZIIJEME-UHFFFAOYSA-N 0 1 380.467 3.310 20 0 GGADMN Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCCO2 ZINC000158515075 1424276942 /nfs/dbraw/zinc/27/69/42/1424276942.db2.gz UEBSRVWRJKSYPY-NRFANRHFSA-N 0 1 380.536 3.454 20 0 GGADMN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000158518509 1424277426 /nfs/dbraw/zinc/27/74/26/1424277426.db2.gz IQPNMMWXHMBPMN-UHFFFAOYSA-N 0 1 397.847 3.303 20 0 GGADMN CN(CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Cc1ccc(F)cc1 ZINC000825942087 1429713422 /nfs/dbraw/zinc/71/34/22/1429713422.db2.gz VPWIFSPXZIFEOZ-FQEVSTJZSA-N 0 1 380.471 3.105 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CC(=O)N(C3CC3)C3CCCC3)C2)C1 ZINC000158539888 1424284074 /nfs/dbraw/zinc/28/40/74/1424284074.db2.gz KVPIKBZNFYTULR-JOCHJYFZSA-N 0 1 391.556 3.253 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H](CCO)CC(C)C)n2)cc1 ZINC000158540989 1424284203 /nfs/dbraw/zinc/28/42/03/1424284203.db2.gz WZWMLTYIEHSYTB-OAHLLOKOSA-N 0 1 376.526 3.033 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(Cc1nc3ccccc3c(C)c1Cl)CC2 ZINC000158543354 1424285149 /nfs/dbraw/zinc/28/51/49/1424285149.db2.gz FCFFLWIJFHCUJO-UHFFFAOYSA-N 0 1 387.867 3.481 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](Cc2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822356722 1424286378 /nfs/dbraw/zinc/28/63/78/1424286378.db2.gz YTAKEBLZIVUBPF-UHFFFAOYSA-N 0 1 396.520 3.457 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2C)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822356722 1424286387 /nfs/dbraw/zinc/28/63/87/1424286387.db2.gz YTAKEBLZIVUBPF-UHFFFAOYSA-N 0 1 396.520 3.457 20 0 GGADMN CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000821399864 1424291930 /nfs/dbraw/zinc/29/19/30/1424291930.db2.gz CXZJCAKZAGRYFO-LJQANCHMSA-N 0 1 394.479 3.287 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)s1 ZINC000158578349 1424294547 /nfs/dbraw/zinc/29/45/47/1424294547.db2.gz JHUQQHIRKSCGPS-HUUCEWRRSA-N 0 1 396.578 3.462 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000158585853 1424296016 /nfs/dbraw/zinc/29/60/16/1424296016.db2.gz VUPQGQIUUMVRRW-GOTSBHOMSA-N 0 1 393.531 3.084 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000158591563 1424297524 /nfs/dbraw/zinc/29/75/24/1424297524.db2.gz QECAJZXAPPJFPB-SFHVURJKSA-N 0 1 387.549 3.395 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000158601241 1424299140 /nfs/dbraw/zinc/29/91/40/1424299140.db2.gz CHUOQFZFAHPZEC-HZPDHXFCSA-N 0 1 392.496 3.303 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000158601799 1424299957 /nfs/dbraw/zinc/29/99/57/1424299957.db2.gz AYQYFSJIMKDISL-QZTJIDSGSA-N 0 1 388.533 3.188 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc2cc(F)ccc2o1 ZINC000158613201 1424302325 /nfs/dbraw/zinc/30/23/25/1424302325.db2.gz CWTRVROHNVLHOE-VQIMIIECSA-N 0 1 382.435 3.185 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1nc(Cl)ccc1Cl ZINC000158623461 1424304215 /nfs/dbraw/zinc/30/42/15/1424304215.db2.gz BJTSNVRRAZLTNV-GOEBONIOSA-N 0 1 394.302 3.001 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1csc(-c2ccoc2)n1 ZINC000158637754 1424307398 /nfs/dbraw/zinc/30/73/98/1424307398.db2.gz AMONSHWURQXZSE-SJLPKXTDSA-N 0 1 397.500 3.016 20 0 GGADMN CCc1c(NC(=O)CCN2C(=O)CCc3ccccc32)[nH]nc1-c1ccncc1 ZINC000158639556 1424307463 /nfs/dbraw/zinc/30/74/63/1424307463.db2.gz FBFHJVDAIHZCKF-UHFFFAOYSA-N 0 1 389.459 3.342 20 0 GGADMN CCc1c(NC(=O)c2cc3c([nH]c2=O)CCCCC3)[nH]nc1-c1ccncc1 ZINC000158639237 1424307574 /nfs/dbraw/zinc/30/75/74/1424307574.db2.gz BOXZTLKJFZCZFL-UHFFFAOYSA-N 0 1 377.448 3.244 20 0 GGADMN O=C(CCSc1ccccc1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000158649014 1424309710 /nfs/dbraw/zinc/30/97/10/1424309710.db2.gz RDTRCWXRVDUPCW-PZJWPPBQSA-N 0 1 384.545 3.168 20 0 GGADMN O=C(CCSc1ccccc1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158648862 1424309866 /nfs/dbraw/zinc/30/98/66/1424309866.db2.gz RDTRCWXRVDUPCW-TZIWHRDSSA-N 0 1 384.545 3.168 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2CC(=O)NC2CCC3(CC2)OCCO3)o1 ZINC000158663387 1424312841 /nfs/dbraw/zinc/31/28/41/1424312841.db2.gz JWKYOOABDIZYGJ-SFHVURJKSA-N 0 1 376.497 3.307 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN2CCCCC[C@H]2c2ccc(C)o2)CC1 ZINC000158668360 1424314587 /nfs/dbraw/zinc/31/45/87/1424314587.db2.gz QMYAAQLAMFVHLT-SFHVURJKSA-N 0 1 376.497 3.307 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000158674055 1424315646 /nfs/dbraw/zinc/31/56/46/1424315646.db2.gz MIODLVNRISXAGG-QZTJIDSGSA-N 0 1 385.512 3.110 20 0 GGADMN Cc1ccc2c(CC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c[nH]c2c1 ZINC000158682184 1424317640 /nfs/dbraw/zinc/31/76/40/1424317640.db2.gz WGLWLHFVWWJUDT-AUSIDOKSSA-N 0 1 391.515 3.018 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CCCc1nc(C2CC2)no1)N1CCCC1 ZINC000158699582 1424322280 /nfs/dbraw/zinc/32/22/80/1424322280.db2.gz ZFAIFMAHCIMNHE-GOSISDBHSA-N 0 1 398.507 3.232 20 0 GGADMN C[C@@H](C(=O)N(C)c1ccccc1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158708589 1424323746 /nfs/dbraw/zinc/32/37/46/1424323746.db2.gz OQYGUDQRKGRLCY-JTSKRJEESA-N 0 1 387.524 3.371 20 0 GGADMN C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158708738 1424323797 /nfs/dbraw/zinc/32/37/97/1424323797.db2.gz OQYGUDQRKGRLCY-VGSWGCGISA-N 0 1 387.524 3.371 20 0 GGADMN Cc1c(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cccc1-c1nn[n-]n1 ZINC000822095311 1424323960 /nfs/dbraw/zinc/32/39/60/1424323960.db2.gz CUHZUGCGCGVHCM-LJQANCHMSA-N 0 1 391.479 3.134 20 0 GGADMN CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H](C)c1cccc(OC)c1 ZINC000821164305 1424324081 /nfs/dbraw/zinc/32/40/81/1424324081.db2.gz BESFYJZEFJUGAV-ZDUSSCGKSA-N 0 1 398.467 3.107 20 0 GGADMN CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H](C)c1cccc(OC)c1 ZINC000821164305 1424324087 /nfs/dbraw/zinc/32/40/87/1424324087.db2.gz BESFYJZEFJUGAV-ZDUSSCGKSA-N 0 1 398.467 3.107 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000158715125 1424325321 /nfs/dbraw/zinc/32/53/21/1424325321.db2.gz PLXKVCRIOSVICX-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180057916 1429717751 /nfs/dbraw/zinc/71/77/51/1429717751.db2.gz PITFAZDAXARTSB-OAHLLOKOSA-N 0 1 398.942 3.224 20 0 GGADMN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000158735004 1424329830 /nfs/dbraw/zinc/32/98/30/1424329830.db2.gz BNBYFZWDAGHFRB-FPOVZHCZSA-N 0 1 382.552 3.476 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(Cl)ccc1F ZINC000158736000 1424331195 /nfs/dbraw/zinc/33/11/95/1424331195.db2.gz WJSOEQRKSXDQGU-HNAYVOBHSA-N 0 1 376.859 3.092 20 0 GGADMN Cc1[nH]c2ccc(C(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2c1C ZINC000158744019 1424332146 /nfs/dbraw/zinc/33/21/46/1424332146.db2.gz JCYMKICQENVNTJ-OFNKIYASSA-N 0 1 391.515 3.398 20 0 GGADMN C[C@H](C1CC1)N(C(=O)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1 ZINC000158754279 1424334938 /nfs/dbraw/zinc/33/49/38/1424334938.db2.gz MVBQTUPBPRMBDN-ZHRRBRCNSA-N 0 1 391.556 3.109 20 0 GGADMN COCCOc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)ccn1 ZINC000180063449 1429720660 /nfs/dbraw/zinc/72/06/60/1429720660.db2.gz XMOQEMBWNKLEIN-SFHVURJKSA-N 0 1 380.448 3.269 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000825252217 1424337910 /nfs/dbraw/zinc/33/79/10/1424337910.db2.gz HJRODYAEFPFKJK-MRXNPFEDSA-N 0 1 396.520 3.055 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000825252217 1424337918 /nfs/dbraw/zinc/33/79/18/1424337918.db2.gz HJRODYAEFPFKJK-MRXNPFEDSA-N 0 1 396.520 3.055 20 0 GGADMN CC(C)c1cc(CN[C@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)on1 ZINC000158782220 1424340746 /nfs/dbraw/zinc/34/07/46/1424340746.db2.gz SLIOAVQCKTYDLI-OXQOHEQNSA-N 0 1 387.480 3.314 20 0 GGADMN CCc1cnc(CN[C@@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)s1 ZINC000158795992 1424343735 /nfs/dbraw/zinc/34/37/35/1424343735.db2.gz TWZBXHLOXJNBAM-YJBOKZPZSA-N 0 1 389.521 3.221 20 0 GGADMN Cc1nnc(SCC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)[nH]1 ZINC000158796856 1424344559 /nfs/dbraw/zinc/34/45/59/1424344559.db2.gz NGSNKOWEQWAUAG-LJQANCHMSA-N 0 1 396.516 3.276 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)n1 ZINC000158796856 1424344565 /nfs/dbraw/zinc/34/45/65/1424344565.db2.gz NGSNKOWEQWAUAG-LJQANCHMSA-N 0 1 396.516 3.276 20 0 GGADMN Cn1cc(N2CCC[C@H](N3CCC(c4c[nH]c5ccccc54)CC3)C2=O)cn1 ZINC000158803088 1424345995 /nfs/dbraw/zinc/34/59/95/1424345995.db2.gz GWBFALBUAXUUOC-NRFANRHFSA-N 0 1 377.492 3.276 20 0 GGADMN FC(F)(F)c1ccn(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)n1 ZINC000158805073 1424347052 /nfs/dbraw/zinc/34/70/52/1424347052.db2.gz UZYUHUNIONJEDX-UHFFFAOYSA-N 0 1 388.397 3.003 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccnc(Cl)c2F)N2CCCC2)cc1 ZINC000158845162 1424355917 /nfs/dbraw/zinc/35/59/17/1424355917.db2.gz PGOVHPJBSCMJMY-MRXNPFEDSA-N 0 1 377.847 3.450 20 0 GGADMN COCCOc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)ccn1 ZINC000180063469 1429720385 /nfs/dbraw/zinc/72/03/85/1429720385.db2.gz XMOQEMBWNKLEIN-GOSISDBHSA-N 0 1 380.448 3.269 20 0 GGADMN CCCC(=O)Nc1ccc(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000158898503 1424367287 /nfs/dbraw/zinc/36/72/87/1424367287.db2.gz OTQGONLSXPCBTH-OAHLLOKOSA-N 0 1 389.521 3.184 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(C(=O)NCC(C)(C)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000158914791 1424371654 /nfs/dbraw/zinc/37/16/54/1424371654.db2.gz XBGXSRSZHXNZHP-GASCZTMLSA-N 0 1 394.581 3.193 20 0 GGADMN C[NH+](C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000736760921 1424383305 /nfs/dbraw/zinc/38/33/05/1424383305.db2.gz RQBPJNQEHGPZLK-CQSZACIVSA-N 0 1 378.267 3.283 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824875895 1424391292 /nfs/dbraw/zinc/39/12/92/1424391292.db2.gz PHMKCDFCCWMDON-ZIAGYGMSSA-N 0 1 390.919 3.008 20 0 GGADMN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cccc2nc[nH]c21 ZINC000159002348 1424392367 /nfs/dbraw/zinc/39/23/67/1424392367.db2.gz OHPANBJIGLGYFV-UHFFFAOYSA-N 0 1 376.338 3.416 20 0 GGADMN COC(=O)c1cc(CN(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)oc1C ZINC000159013550 1424395289 /nfs/dbraw/zinc/39/52/89/1424395289.db2.gz SEEZZLWWDLGENH-OAHLLOKOSA-N 0 1 385.382 3.429 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000159018854 1424396948 /nfs/dbraw/zinc/39/69/48/1424396948.db2.gz GPJZHWBWGNYKKA-IBGZPJMESA-N 0 1 397.523 3.048 20 0 GGADMN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000159023568 1424398476 /nfs/dbraw/zinc/39/84/76/1424398476.db2.gz XPNMAZZHGCEFMG-WDSOQIARSA-N 0 1 379.932 3.279 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2nncn2Cc2ccccc2)CC1 ZINC000159023505 1424398641 /nfs/dbraw/zinc/39/86/41/1424398641.db2.gz VJNAOSUDSFNREP-UHFFFAOYSA-N 0 1 396.926 3.344 20 0 GGADMN COc1cccc(C2(NC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)c1 ZINC000159057049 1424407025 /nfs/dbraw/zinc/40/70/25/1424407025.db2.gz QTECMAQIDNAWHW-UHFFFAOYSA-N 0 1 387.524 3.019 20 0 GGADMN CN(C)C(=O)Nc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000159080472 1424411919 /nfs/dbraw/zinc/41/19/19/1424411919.db2.gz ACFMUBKFXKWJDD-UHFFFAOYSA-N 0 1 380.492 3.128 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)N(C)C)c1 ZINC000159077880 1424411988 /nfs/dbraw/zinc/41/19/88/1424411988.db2.gz HLYLIZUIIXPRJK-INIZCTEOSA-N 0 1 397.397 3.064 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)NC[C@H](c3cccs3)N(C)C)[nH]2)c1 ZINC000159079952 1424412078 /nfs/dbraw/zinc/41/20/78/1424412078.db2.gz XGYHHPSNPRZGSA-MRXNPFEDSA-N 0 1 384.505 3.488 20 0 GGADMN Cc1nc(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)s1 ZINC000159112771 1424419777 /nfs/dbraw/zinc/41/97/77/1424419777.db2.gz WVVVHEZUEYBCBQ-ZDUSSCGKSA-N 0 1 390.528 3.071 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000159131161 1424424351 /nfs/dbraw/zinc/42/43/51/1424424351.db2.gz AMBNNCABXBGVKM-AVRDEDQJSA-N 0 1 396.535 3.420 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000159134247 1424424890 /nfs/dbraw/zinc/42/48/90/1424424890.db2.gz QONIFDGJEGXQKH-IBGZPJMESA-N 0 1 386.496 3.016 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159133553 1424425102 /nfs/dbraw/zinc/42/51/02/1424425102.db2.gz KEKLLSMYSPWNAQ-IBGZPJMESA-N 0 1 385.855 3.498 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3nocc3C)CC2)c1C ZINC000159134845 1424425134 /nfs/dbraw/zinc/42/51/34/1424425134.db2.gz UPCOTIHRGRTNKR-UHFFFAOYSA-N 0 1 387.484 3.132 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CCO)c2ccccc2)CC1 ZINC000159134110 1424425155 /nfs/dbraw/zinc/42/51/55/1424425155.db2.gz LJHCFEKEYWJLMP-DYESRHJHSA-N 0 1 382.508 3.030 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@H](c2cccs2)N(C)C)n1 ZINC000159163052 1424431730 /nfs/dbraw/zinc/43/17/30/1424431730.db2.gz YCZHWFJGTXKYSK-QGZVFWFLSA-N 0 1 384.509 3.370 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc([C@H]2CCCO2)n1 ZINC000159172065 1424434489 /nfs/dbraw/zinc/43/44/89/1424434489.db2.gz RVSBKLVOOJQVLW-GOSISDBHSA-N 0 1 386.521 3.307 20 0 GGADMN COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000159203506 1424442115 /nfs/dbraw/zinc/44/21/15/1424442115.db2.gz CABHMSVSDKDCFH-UHFFFAOYSA-N 0 1 376.460 3.319 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)c2cccnc12 ZINC000159207012 1424442696 /nfs/dbraw/zinc/44/26/96/1424442696.db2.gz MEUVSQXYAJBDLE-QGZVFWFLSA-N 0 1 395.890 3.037 20 0 GGADMN COC(=O)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000159222687 1424449921 /nfs/dbraw/zinc/44/99/21/1424449921.db2.gz VPZSVJXLZCQDEM-UHFFFAOYSA-N 0 1 390.487 3.378 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCn2cccc2)CC1 ZINC000159276799 1424469360 /nfs/dbraw/zinc/46/93/60/1424469360.db2.gz UFCOWUSBTWCSES-SFHVURJKSA-N 0 1 386.515 3.427 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159277365 1424469734 /nfs/dbraw/zinc/46/97/34/1424469734.db2.gz IJFZSMROAILVHU-HNNXBMFYSA-N 0 1 395.482 3.335 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)NCc3nc4cccc(C)c4[nH]3)ccc21 ZINC000159276724 1424470266 /nfs/dbraw/zinc/47/02/66/1424470266.db2.gz JXFRGLMDIBAZBP-UHFFFAOYSA-N 0 1 389.459 3.491 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)(Cl)Cl)CC1 ZINC000180081832 1429728914 /nfs/dbraw/zinc/72/89/14/1429728914.db2.gz JHBDMSSBRPRUNY-GFCCVEGCSA-N 0 1 376.303 3.339 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159298410 1424476721 /nfs/dbraw/zinc/47/67/21/1424476721.db2.gz APSMSSGKICWOML-QFBILLFUSA-N 0 1 397.485 3.122 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000159309684 1424480653 /nfs/dbraw/zinc/48/06/53/1424480653.db2.gz WJLROEAJGDKAIX-LJQANCHMSA-N 0 1 387.524 3.197 20 0 GGADMN CC[C@@]1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000180082598 1429729533 /nfs/dbraw/zinc/72/95/33/1429729533.db2.gz UPSROTMZCCIWNG-FQEVSTJZSA-N 0 1 390.459 3.498 20 0 GGADMN CC(C)[N@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C[C@H](C)O ZINC000824706830 1424485009 /nfs/dbraw/zinc/48/50/09/1424485009.db2.gz JXRQEOZXQVAXDD-INIZCTEOSA-N 0 1 381.480 3.037 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H](C)O ZINC000824706830 1424485017 /nfs/dbraw/zinc/48/50/17/1424485017.db2.gz JXRQEOZXQVAXDD-INIZCTEOSA-N 0 1 381.480 3.037 20 0 GGADMN CC(C)[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C[C@H](C)O ZINC000824706830 1424485023 /nfs/dbraw/zinc/48/50/23/1424485023.db2.gz JXRQEOZXQVAXDD-INIZCTEOSA-N 0 1 381.480 3.037 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000159323297 1424485025 /nfs/dbraw/zinc/48/50/25/1424485025.db2.gz GJTWXQPVUWIUHS-RBUKOAKNSA-N 0 1 380.423 3.339 20 0 GGADMN O=C(C[C@H]1CCCN1C(=O)c1cccc(-c2nnc[nH]2)c1)c1ccc(F)cc1 ZINC000159333997 1424488488 /nfs/dbraw/zinc/48/84/88/1424488488.db2.gz NAQCPMDGMGRBID-GOSISDBHSA-N 0 1 378.407 3.488 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(F)c(Cl)cc1Cl ZINC000159356420 1424494927 /nfs/dbraw/zinc/49/49/27/1424494927.db2.gz UMDAUVHUZTVRIO-CQSZACIVSA-N 0 1 397.277 3.282 20 0 GGADMN CCCCN(C)c1ccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000159367124 1424496697 /nfs/dbraw/zinc/49/66/97/1424496697.db2.gz VAURGWJPZAEAIY-UHFFFAOYSA-N 0 1 393.491 3.363 20 0 GGADMN CC(C)n1ccc(C[C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000824457739 1424518405 /nfs/dbraw/zinc/51/84/05/1424518405.db2.gz RHDLCJYTQFTIDJ-HNNXBMFYSA-N 0 1 385.541 3.098 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159634628 1424519531 /nfs/dbraw/zinc/51/95/31/1424519531.db2.gz ZXFOIJHJQQDCAW-QRWLVFNGSA-N 0 1 399.466 3.109 20 0 GGADMN CC(C)(C)C(=O)N1CCC(CN2CCC[C@@H]2C(=O)OCc2ccccc2)CC1 ZINC000159714062 1424526690 /nfs/dbraw/zinc/52/66/90/1424526690.db2.gz MOUQPRASGCKUTB-HXUWFJFHSA-N 0 1 386.536 3.479 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+][C@H]3CCCOCC3)c2)c1 ZINC000826515882 1424527071 /nfs/dbraw/zinc/52/70/71/1424527071.db2.gz OGUUDUDHEOIZBY-SFHVURJKSA-N 0 1 379.464 3.104 20 0 GGADMN CCC[C@@H]1CN(CN2C(=S)N=NC2CCC2CCCC2)CCN1CCOC ZINC000159779444 1424534943 /nfs/dbraw/zinc/53/49/43/1424534943.db2.gz XOGAFEMLVCHTIU-GOSISDBHSA-N 0 1 395.617 3.080 20 0 GGADMN C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824671113 1424537650 /nfs/dbraw/zinc/53/76/50/1424537650.db2.gz XHRGWPABPVHCIM-AAEUAGOBSA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824671113 1424537654 /nfs/dbraw/zinc/53/76/54/1424537654.db2.gz XHRGWPABPVHCIM-AAEUAGOBSA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824671113 1424537655 /nfs/dbraw/zinc/53/76/55/1424537655.db2.gz XHRGWPABPVHCIM-AAEUAGOBSA-N 0 1 389.916 3.299 20 0 GGADMN Cc1nn(CCO)c(C)c1CNCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000159885379 1424549252 /nfs/dbraw/zinc/54/92/52/1424549252.db2.gz NEXXZNXHWLDWTC-UHFFFAOYSA-N 0 1 396.466 3.173 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCc3ccc(N(C)C)cc3)n2)cc1 ZINC000159895143 1424550613 /nfs/dbraw/zinc/55/06/13/1424550613.db2.gz IJYFNBQDATZUKD-UHFFFAOYSA-N 0 1 395.532 3.297 20 0 GGADMN CCc1nn(C)cc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000180093689 1429734425 /nfs/dbraw/zinc/73/44/25/1429734425.db2.gz PAAZEBDUVSCQCM-UHFFFAOYSA-N 0 1 383.496 3.049 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000159919426 1424552775 /nfs/dbraw/zinc/55/27/75/1424552775.db2.gz MPBDCQONOBSWQB-JXFKEZNVSA-N 0 1 386.492 3.395 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000159919737 1424552882 /nfs/dbraw/zinc/55/28/82/1424552882.db2.gz OBFOMDKQHNBQKD-WMQCIHAUSA-N 0 1 382.504 3.379 20 0 GGADMN O=C(Nc1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1)c1ccncc1 ZINC000159941810 1424554300 /nfs/dbraw/zinc/55/43/00/1424554300.db2.gz VIMFLDDPQSYERR-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000159939778 1424554671 /nfs/dbraw/zinc/55/46/71/1424554671.db2.gz ULJAITPDCFBHEA-IBGZPJMESA-N 0 1 398.503 3.036 20 0 GGADMN CCOc1ccc(CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1OC ZINC000159938586 1424554868 /nfs/dbraw/zinc/55/48/68/1424554868.db2.gz RRFDFMMLZHJIFA-HXUWFJFHSA-N 0 1 382.504 3.417 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccnn3CC3CC3)cc2)C[C@@H](C)O1 ZINC000159952700 1424555587 /nfs/dbraw/zinc/55/55/87/1424555587.db2.gz RMNIVZYQIFOPBX-IAGOWNOFSA-N 0 1 397.523 3.224 20 0 GGADMN Cn1cc(C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)cn1 ZINC000159958351 1424557372 /nfs/dbraw/zinc/55/73/72/1424557372.db2.gz WHAKZXOFIBCYJS-LBPRGKRZSA-N 0 1 379.258 3.155 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CSc4cccc[n+]4[O-])C3)[nH]c2c1 ZINC000159997262 1424560538 /nfs/dbraw/zinc/56/05/38/1424560538.db2.gz XAYCKNGTKNJTKA-HNNXBMFYSA-N 0 1 382.489 3.003 20 0 GGADMN CCC[C@H]1CN(C(=O)NCc2coc(-c3cccs3)n2)CCN1CCOC ZINC000160064767 1424568852 /nfs/dbraw/zinc/56/88/52/1424568852.db2.gz RTKCEDAOAAEUNA-INIZCTEOSA-N 0 1 392.525 3.045 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229270 1424570797 /nfs/dbraw/zinc/57/07/97/1424570797.db2.gz QQNDYCCYRIJOQC-ZDUSSCGKSA-N 0 1 384.509 3.485 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229270 1424570805 /nfs/dbraw/zinc/57/08/05/1424570805.db2.gz QQNDYCCYRIJOQC-ZDUSSCGKSA-N 0 1 384.509 3.485 20 0 GGADMN CCc1ccc(C(C)(C)NCC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000180098583 1429737286 /nfs/dbraw/zinc/73/72/86/1429737286.db2.gz OKDSUIUSMPBGIJ-UHFFFAOYSA-N 0 1 397.519 3.146 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2nc3ccccn3c2-c2nnn[n-]2)[C@H]1c1cccs1 ZINC000826029032 1424588075 /nfs/dbraw/zinc/58/80/75/1424588075.db2.gz MXAGDASLKDSOBT-BBRMVZONSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@@H+]1CCC[C@@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000826029032 1424588084 /nfs/dbraw/zinc/58/80/84/1424588084.db2.gz MXAGDASLKDSOBT-BBRMVZONSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000826029032 1424588088 /nfs/dbraw/zinc/58/80/88/1424588088.db2.gz MXAGDASLKDSOBT-BBRMVZONSA-N 0 1 394.508 3.071 20 0 GGADMN COc1ccc([C@@H](NCC2(C(N)=O)CCOCC2)c2ccccc2Cl)cc1 ZINC000180099941 1429737705 /nfs/dbraw/zinc/73/77/05/1429737705.db2.gz ZHGOPGKZVFHJSP-LJQANCHMSA-N 0 1 388.895 3.310 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H](O)c3ccc(C)cc3)n2)cc1 ZINC000160228547 1424588921 /nfs/dbraw/zinc/58/89/21/1424588921.db2.gz PAGFUPFOJRMHKC-QGZVFWFLSA-N 0 1 382.489 3.030 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@@H]1C ZINC000160336897 1424596142 /nfs/dbraw/zinc/59/61/42/1424596142.db2.gz RTQRHNXSBLIVDK-CALCHBBNSA-N 0 1 390.528 3.162 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000737031348 1424597921 /nfs/dbraw/zinc/59/79/21/1424597921.db2.gz GRQPBYWUOOVVHQ-JOCHJYFZSA-N 0 1 393.491 3.308 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000737031348 1424597922 /nfs/dbraw/zinc/59/79/22/1424597922.db2.gz GRQPBYWUOOVVHQ-JOCHJYFZSA-N 0 1 393.491 3.308 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000737031348 1424597928 /nfs/dbraw/zinc/59/79/28/1424597928.db2.gz GRQPBYWUOOVVHQ-JOCHJYFZSA-N 0 1 393.491 3.308 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3ccnn3CC3CC3)CC2)cc1 ZINC000160374386 1424599173 /nfs/dbraw/zinc/59/91/73/1424599173.db2.gz BZRCEAFYFVUXKT-UHFFFAOYSA-N 0 1 383.496 3.042 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2)o1 ZINC000160368642 1424599557 /nfs/dbraw/zinc/59/95/57/1424599557.db2.gz VWMJNBDIUSXCGV-CHWSQXEVSA-N 0 1 389.456 3.395 20 0 GGADMN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000160421958 1424603137 /nfs/dbraw/zinc/60/31/37/1424603137.db2.gz XNWCKTGEKFYDQU-OAHLLOKOSA-N 0 1 395.507 3.324 20 0 GGADMN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000160572849 1424615130 /nfs/dbraw/zinc/61/51/30/1424615130.db2.gz HEHBDPVEZWUCDR-UHFFFAOYSA-N 0 1 383.477 3.245 20 0 GGADMN CC1CCN(CC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000160601069 1424618500 /nfs/dbraw/zinc/61/85/00/1424618500.db2.gz HTMFJTYYVNSFKX-JOCHJYFZSA-N 0 1 382.504 3.147 20 0 GGADMN O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160735269 1424630503 /nfs/dbraw/zinc/63/05/03/1424630503.db2.gz GPGOYSUIOWCVJO-INIZCTEOSA-N 0 1 383.473 3.346 20 0 GGADMN O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160735269 1424630507 /nfs/dbraw/zinc/63/05/07/1424630507.db2.gz GPGOYSUIOWCVJO-INIZCTEOSA-N 0 1 383.473 3.346 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)c3cccc(-c4nnc[nH]4)c3)cc2F)C[C@H](C)O1 ZINC000160824101 1424637039 /nfs/dbraw/zinc/63/70/39/1424637039.db2.gz GRINZWIKKWCRGA-KBPBESRZSA-N 0 1 395.438 3.477 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)N1CCc2ccccc2C1 ZINC000160847153 1424638953 /nfs/dbraw/zinc/63/89/53/1424638953.db2.gz CGIJQFXMQJHZNF-UIFIKXQLSA-N 0 1 397.519 3.324 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000160915915 1424643962 /nfs/dbraw/zinc/64/39/62/1424643962.db2.gz JDTFVHXZPPIWMK-UHFFFAOYSA-N 0 1 386.832 3.133 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000160910745 1424644016 /nfs/dbraw/zinc/64/40/16/1424644016.db2.gz YQRLKHBHTYFDTF-UHFFFAOYSA-N 0 1 392.452 3.403 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821418278 1424648573 /nfs/dbraw/zinc/64/85/73/1424648573.db2.gz YOMQEOLALLLLTO-VQTJNVASSA-N 0 1 379.464 3.136 20 0 GGADMN CC(C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820038042 1424649081 /nfs/dbraw/zinc/64/90/81/1424649081.db2.gz JJZSENVZYYLRBU-UHFFFAOYSA-N 0 1 376.892 3.217 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cccc(Cl)c2-n2cccn2)C[C@@H]1C ZINC000160999445 1424651283 /nfs/dbraw/zinc/65/12/83/1424651283.db2.gz JZDIKEUWHFVGGM-GASCZTMLSA-N 0 1 391.903 3.099 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccnc(Cl)c2F)N2CCCC2)c1 ZINC000161008287 1424652499 /nfs/dbraw/zinc/65/24/99/1424652499.db2.gz NNXFLLDVVALUEX-INIZCTEOSA-N 0 1 377.847 3.450 20 0 GGADMN O=C(c1n[nH]cc1Br)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161156037 1424662541 /nfs/dbraw/zinc/66/25/41/1424662541.db2.gz LOAYSVVCYYEOGV-UHFFFAOYSA-N 0 1 378.270 3.120 20 0 GGADMN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161282110 1424672878 /nfs/dbraw/zinc/67/28/78/1424672878.db2.gz VVMBCWAWHDMSKR-INIZCTEOSA-N 0 1 381.561 3.212 20 0 GGADMN COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826217005 1424682719 /nfs/dbraw/zinc/68/27/19/1424682719.db2.gz VZMFNFFEYLFSDH-GDBMZVCRSA-N 0 1 396.470 3.334 20 0 GGADMN FC(F)Oc1cccc([C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826370142 1424687161 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GGADMN CCOc1ccc(C(=O)NCC(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1 ZINC000161531130 1424701528 /nfs/dbraw/zinc/70/15/28/1424701528.db2.gz APDPGDCRDBLQMM-UHFFFAOYSA-N 0 1 382.420 3.054 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820705227 1424701734 /nfs/dbraw/zinc/70/17/34/1424701734.db2.gz SFMKFBPKFDCINV-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820705227 1424701737 /nfs/dbraw/zinc/70/17/37/1424701737.db2.gz SFMKFBPKFDCINV-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820705227 1424701750 /nfs/dbraw/zinc/70/17/50/1424701750.db2.gz SFMKFBPKFDCINV-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736525079 1424702897 /nfs/dbraw/zinc/70/28/97/1424702897.db2.gz ZGALVVIYCKBMOQ-DNVCBOLYSA-N 0 1 378.480 3.127 20 0 GGADMN CC(C)(C)c1ccc(OC[C@H](O)CN2CCC([C@H](O)C(F)(F)F)CC2)cc1 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395.507 3.386 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)c1 ZINC000180128474 1429749721 /nfs/dbraw/zinc/74/97/21/1429749721.db2.gz SRAQYEOYDCSYIO-UHFFFAOYSA-N 0 1 378.381 3.253 20 0 GGADMN CCC[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825307916 1424745678 /nfs/dbraw/zinc/74/56/78/1424745678.db2.gz RBUAHBSAFPKOJV-GFCCVEGCSA-N 0 1 376.530 3.256 20 0 GGADMN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000161746385 1424756575 /nfs/dbraw/zinc/75/65/75/1424756575.db2.gz PLGZPNVPKOJYHY-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN C[C@H](NCC(=O)N1CCCc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000161756332 1424758683 /nfs/dbraw/zinc/75/86/83/1424758683.db2.gz ZZJXKFVXGBBBQL-INIZCTEOSA-N 0 1 379.460 3.273 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000161787622 1424764213 /nfs/dbraw/zinc/76/42/13/1424764213.db2.gz XUQVSAFUVVFRKV-DLBZAZTESA-N 0 1 376.497 3.386 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000161795172 1424766404 /nfs/dbraw/zinc/76/64/04/1424766404.db2.gz QTHOQUFKLSEMGH-UHFFFAOYSA-N 0 1 387.455 3.237 20 0 GGADMN C[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825976746 1424768175 /nfs/dbraw/zinc/76/81/75/1424768175.db2.gz OXDYPMLYULJDGD-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000161822904 1424773183 /nfs/dbraw/zinc/77/31/83/1424773183.db2.gz HYUVTDVOZGXUEU-AWEZNQCLSA-N 0 1 398.481 3.279 20 0 GGADMN COc1cccc(C[NH+]2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c1 ZINC000737131951 1424776999 /nfs/dbraw/zinc/77/69/99/1424776999.db2.gz SBTOQMKFFNPUDZ-UHFFFAOYSA-N 0 1 399.886 3.000 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000161863124 1424781636 /nfs/dbraw/zinc/78/16/36/1424781636.db2.gz BIZORBPPCQKTEI-KSSFIOAISA-N 0 1 390.480 3.075 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000161859362 1424781649 /nfs/dbraw/zinc/78/16/49/1424781649.db2.gz YTLOJHRXZFDYRF-HOTGVXAUSA-N 0 1 380.916 3.400 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000161863266 1424781883 /nfs/dbraw/zinc/78/18/83/1424781883.db2.gz BIZORBPPCQKTEI-KDOFPFPSSA-N 0 1 390.480 3.075 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000161882214 1424787148 /nfs/dbraw/zinc/78/71/48/1424787148.db2.gz CVAKFTFRIJEXAS-QGZVFWFLSA-N 0 1 375.432 3.082 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000161882214 1424787158 /nfs/dbraw/zinc/78/71/58/1424787158.db2.gz CVAKFTFRIJEXAS-QGZVFWFLSA-N 0 1 375.432 3.082 20 0 GGADMN O=C(CC[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737845963 1424791069 /nfs/dbraw/zinc/79/10/69/1424791069.db2.gz CPVBWNDSDVZPBJ-FQEVSTJZSA-N 0 1 376.464 3.326 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000161910056 1424793211 /nfs/dbraw/zinc/79/32/11/1424793211.db2.gz PQDCQABSZYVHJI-IBGZPJMESA-N 0 1 386.517 3.309 20 0 GGADMN CC[C@@H](C)[C@@H](NCc1cn(C)nc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000161914329 1424795637 /nfs/dbraw/zinc/79/56/37/1424795637.db2.gz KGVWNRFKYKFSTE-IIBYNOLFSA-N 0 1 383.540 3.472 20 0 GGADMN Cc1cc(=O)n(C)cc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000161920377 1424796692 /nfs/dbraw/zinc/79/66/92/1424796692.db2.gz JUNHGNOWOSUBFA-UHFFFAOYSA-N 0 1 388.899 3.133 20 0 GGADMN O=C(Cc1cccc(OC(F)(F)F)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000161954056 1424802572 /nfs/dbraw/zinc/80/25/72/1424802572.db2.gz SOTFTXIECUOCLG-UHFFFAOYSA-N 0 1 393.409 3.304 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000161992008 1424807125 /nfs/dbraw/zinc/80/71/25/1424807125.db2.gz NWJUHOABXARKKD-UHFFFAOYSA-N 0 1 385.830 3.227 20 0 GGADMN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N1CCCN(C)CC1 ZINC000162020380 1424809101 /nfs/dbraw/zinc/80/91/01/1424809101.db2.gz RVGBMPBCHFSJLZ-SFHVURJKSA-N 0 1 395.503 3.238 20 0 GGADMN COc1ccc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)cc1F ZINC000162019161 1424809263 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CC(C)CN1Cc2cccc(NC(=O)Cn3ncc(=O)c4ccccc43)c2C1 ZINC000162160551 1424821353 /nfs/dbraw/zinc/82/13/53/1424821353.db2.gz WXRUYFXNGXIRDF-UHFFFAOYSA-N 0 1 376.460 3.007 20 0 GGADMN CNS(=O)(=O)c1cccc(CNCc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000162177468 1424823347 /nfs/dbraw/zinc/82/33/47/1424823347.db2.gz YLOMFZYNNORDQR-UHFFFAOYSA-N 0 1 376.375 3.042 20 0 GGADMN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000162183659 1424824257 /nfs/dbraw/zinc/82/42/57/1424824257.db2.gz CHXAQUUAQQCUTK-ZDUSSCGKSA-N 0 1 393.438 3.077 20 0 GGADMN Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001116084343 1424824476 /nfs/dbraw/zinc/82/44/76/1424824476.db2.gz KIKSVNPYTBXIGG-LJQANCHMSA-N 0 1 376.464 3.168 20 0 GGADMN Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001116084343 1424824480 /nfs/dbraw/zinc/82/44/80/1424824480.db2.gz KIKSVNPYTBXIGG-LJQANCHMSA-N 0 1 376.464 3.168 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCCCCO[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000162186169 1424824869 /nfs/dbraw/zinc/82/48/69/1424824869.db2.gz HJPSZUYJEAWKRZ-BHDDXSALSA-N 0 1 393.616 3.381 20 0 GGADMN COc1ccc([C@@H](O)CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000162197822 1424825389 /nfs/dbraw/zinc/82/53/89/1424825389.db2.gz NWZKWVKHNBRTTF-HNNXBMFYSA-N 0 1 376.363 3.364 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2C1 ZINC000162224683 1424828378 /nfs/dbraw/zinc/82/83/78/1424828378.db2.gz GVTNVRNAYXXHHR-HDICACEKSA-N 0 1 397.519 3.162 20 0 GGADMN Cc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c(N(C)C)n1 ZINC000162234407 1424829364 /nfs/dbraw/zinc/82/93/64/1424829364.db2.gz MBUSDYSEEYZAAP-UHFFFAOYSA-N 0 1 382.512 3.160 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000162238096 1424829642 /nfs/dbraw/zinc/82/96/42/1424829642.db2.gz ZINDLZQBYSEAEE-JENIJYKNSA-N 0 1 388.508 3.070 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1cccc2cccnc21 ZINC000162362895 1424842262 /nfs/dbraw/zinc/84/22/62/1424842262.db2.gz SGNBZNPUMYJEJK-UWJYYQICSA-N 0 1 395.528 3.175 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1cccc2cccnc21 ZINC000162362767 1424842286 /nfs/dbraw/zinc/84/22/86/1424842286.db2.gz SGNBZNPUMYJEJK-UTKZUKDTSA-N 0 1 395.528 3.175 20 0 GGADMN CCC[N@@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1OC ZINC000821095089 1429757328 /nfs/dbraw/zinc/75/73/28/1429757328.db2.gz XQHGGESWIORGKN-BEFAXECRSA-N 0 1 381.480 3.382 20 0 GGADMN C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569574 1424845672 /nfs/dbraw/zinc/84/56/72/1424845672.db2.gz IVNNTMKBWPIBLW-APPDUMDISA-N 0 1 390.413 3.238 20 0 GGADMN Cc1ccc(C)c(Sc2ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc2)c1 ZINC000162395743 1424846458 /nfs/dbraw/zinc/84/64/58/1424846458.db2.gz YEFPRRVTARBYFE-QGZVFWFLSA-N 0 1 392.546 3.155 20 0 GGADMN CCC(CC)C(=O)N1CCC(NC(=O)c2c[nH]c3c(C)cccc3c2=O)CC1 ZINC000162413250 1424848285 /nfs/dbraw/zinc/84/82/85/1424848285.db2.gz MVDUTDPMVRWGOA-UHFFFAOYSA-N 0 1 383.492 3.406 20 0 GGADMN Cc1ccc([C@H](CNCc2nc3cc(Cl)ccc3n2C)N2CCOCC2)o1 ZINC000162429295 1424850619 /nfs/dbraw/zinc/85/06/19/1424850619.db2.gz SQBNYTXOFCQHKY-SFHVURJKSA-N 0 1 388.899 3.291 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCS2)N2CCCCC2)cc1 ZINC000162434369 1424851064 /nfs/dbraw/zinc/85/10/64/1424851064.db2.gz OQBUJHWTCKZJDU-RBUKOAKNSA-N 0 1 377.554 3.417 20 0 GGADMN COc1cccc([C@H](O)C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 ZINC000162429969 1424851145 /nfs/dbraw/zinc/85/11/45/1424851145.db2.gz JAMFLIRTELNWEA-FQEVSTJZSA-N 0 1 386.517 3.225 20 0 GGADMN COc1cccc2c1CC[C@H]2[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000821877594 1424852644 /nfs/dbraw/zinc/85/26/44/1424852644.db2.gz NBRCCXVLOAYYPP-GOSISDBHSA-N 0 1 381.505 3.386 20 0 GGADMN CC(=O)N1CCc2sc(-c3csc([C@H]4CN5CCC[C@@H]5CO4)n3)cc2C1 ZINC000162445860 1424852845 /nfs/dbraw/zinc/85/28/45/1424852845.db2.gz GIJOBSQHDBWFIB-GDBMZVCRSA-N 0 1 389.546 3.312 20 0 GGADMN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(OC(C)(C)C)CC1 ZINC000162443268 1424853021 /nfs/dbraw/zinc/85/30/21/1424853021.db2.gz GHVYKOHITLTYES-QGZVFWFLSA-N 0 1 391.531 3.142 20 0 GGADMN COc1cccc([C@H](CNC(=O)NOCCC(F)(F)F)N2CCCC2)c1 ZINC000162445435 1424853120 /nfs/dbraw/zinc/85/31/20/1424853120.db2.gz FRKYGIGTSOJBQM-HNNXBMFYSA-N 0 1 375.391 3.015 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnc(-c4ccccc4)nc3C)[nH]c21 ZINC000162461683 1424855085 /nfs/dbraw/zinc/85/50/85/1424855085.db2.gz HXODUYSYGMJGNA-UHFFFAOYSA-N 0 1 387.399 3.367 20 0 GGADMN CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000162459963 1424855237 /nfs/dbraw/zinc/85/52/37/1424855237.db2.gz HJCHLNNSOHUOPV-MRXNPFEDSA-N 0 1 397.447 3.078 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(-c4ccc(F)cc4)on3)[nH]c21 ZINC000162477375 1424856960 /nfs/dbraw/zinc/85/69/60/1424856960.db2.gz DZCMCZUBNJQVHR-UHFFFAOYSA-N 0 1 380.335 3.396 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cn(-c4ccccc4)nc3C)[nH]c21 ZINC000162500083 1424858927 /nfs/dbraw/zinc/85/89/27/1424858927.db2.gz VZRMWQYMSNNNLZ-UHFFFAOYSA-N 0 1 375.388 3.096 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)NCc1cc(=O)n2c(C)csc2n1 ZINC000162508401 1424860137 /nfs/dbraw/zinc/86/01/37/1424860137.db2.gz WJQBDJNPFRPANQ-SFHVURJKSA-N 0 1 392.912 3.450 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(-c4ccccc4C)c3)[nH]c21 ZINC000162524065 1424861625 /nfs/dbraw/zinc/86/16/25/1424861625.db2.gz HOAZNDJCPZLSLS-UHFFFAOYSA-N 0 1 375.388 3.096 20 0 GGADMN O=C(CCc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1)N1CCCC1 ZINC000162537273 1424863459 /nfs/dbraw/zinc/86/34/59/1424863459.db2.gz MWBGHWJGMAZLRU-UHFFFAOYSA-N 0 1 389.459 3.279 20 0 GGADMN CC(C)(O)[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000162539092 1424863926 /nfs/dbraw/zinc/86/39/26/1424863926.db2.gz ZMIZUVVRKDLHRJ-LJQANCHMSA-N 0 1 399.466 3.252 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)c3cccc(F)c3F)n2)cc1 ZINC000162556297 1424865631 /nfs/dbraw/zinc/86/56/31/1424865631.db2.gz RFMSUKWHPQZBMD-LLVKDONJSA-N 0 1 387.390 3.319 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C)c3cccc(F)c3F)n[nH]2)cc1 ZINC000162556297 1424865632 /nfs/dbraw/zinc/86/56/32/1424865632.db2.gz RFMSUKWHPQZBMD-LLVKDONJSA-N 0 1 387.390 3.319 20 0 GGADMN Cc1cccc(NC(=O)C(=O)NNC(=O)c2sc3ccccc3c2Cl)c1 ZINC000162571550 1424867791 /nfs/dbraw/zinc/86/77/91/1424867791.db2.gz WQUYLBNUQJWLME-UHFFFAOYSA-N 0 1 387.848 3.263 20 0 GGADMN Cc1nc(C(=O)N2CCC(CCC(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000162583136 1424868589 /nfs/dbraw/zinc/86/85/89/1424868589.db2.gz SWQZKQBPZOVKKP-UHFFFAOYSA-N 0 1 399.421 3.001 20 0 GGADMN Cn1cnnc1-c1cncc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000162602249 1424870959 /nfs/dbraw/zinc/87/09/59/1424870959.db2.gz KRSPOPPAEIZMEX-UHFFFAOYSA-N 0 1 379.811 3.173 20 0 GGADMN CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825391082 1424872267 /nfs/dbraw/zinc/87/22/67/1424872267.db2.gz UOQDZLYNEJGRBS-HNNXBMFYSA-N 0 1 378.480 3.053 20 0 GGADMN Fc1ccc2c(c1)[nH+]ccc2N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737668603 1424874019 /nfs/dbraw/zinc/87/40/19/1424874019.db2.gz WCEVNRATXGYGSM-UHFFFAOYSA-N 0 1 393.401 3.020 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N(Cc1cccnc1)C1CC1 ZINC000162665825 1424876942 /nfs/dbraw/zinc/87/69/42/1424876942.db2.gz JLDGAYFLEYJRJL-UHFFFAOYSA-N 0 1 385.374 3.025 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OC(F)F)CCN1CCOC ZINC000162673548 1424878050 /nfs/dbraw/zinc/87/80/50/1424878050.db2.gz YFFKNMAZLAMFPF-CQSZACIVSA-N 0 1 389.418 3.392 20 0 GGADMN CCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000162687142 1424880609 /nfs/dbraw/zinc/88/06/09/1424880609.db2.gz AKFJGIQMBZMEMV-UHFFFAOYSA-N 0 1 376.482 3.432 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CCN1CCOC ZINC000162697629 1424881870 /nfs/dbraw/zinc/88/18/70/1424881870.db2.gz DWBQTKRJBFRVMD-DLBZAZTESA-N 0 1 380.558 3.045 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C(=O)NC2CCN(Cc3ccccn3)CC2)o1 ZINC000162749952 1424887720 /nfs/dbraw/zinc/88/77/20/1424887720.db2.gz BMMQGOJHBAIUPI-FQEVSTJZSA-N 0 1 398.507 3.332 20 0 GGADMN O=C(Cc1csc(NC(=O)c2ccccc2F)n1)NOCCC(F)(F)F ZINC000162760897 1424888185 /nfs/dbraw/zinc/88/81/85/1424888185.db2.gz SPYIJAOMHCVHMQ-UHFFFAOYSA-N 0 1 391.346 3.077 20 0 GGADMN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000162774181 1424889520 /nfs/dbraw/zinc/88/95/20/1424889520.db2.gz GUBHWELOSLVVNT-UHFFFAOYSA-N 0 1 377.448 3.386 20 0 GGADMN C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000162825367 1424893861 /nfs/dbraw/zinc/89/38/61/1424893861.db2.gz NJVNQTPJBUMIGD-MJGOQNOKSA-N 0 1 399.491 3.238 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821596637 1424896956 /nfs/dbraw/zinc/89/69/56/1424896956.db2.gz QMRCWHWYNCPTBW-OAHLLOKOSA-N 0 1 384.434 3.103 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821596637 1424896972 /nfs/dbraw/zinc/89/69/72/1424896972.db2.gz QMRCWHWYNCPTBW-OAHLLOKOSA-N 0 1 384.434 3.103 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821596637 1424896985 /nfs/dbraw/zinc/89/69/85/1424896985.db2.gz QMRCWHWYNCPTBW-OAHLLOKOSA-N 0 1 384.434 3.103 20 0 GGADMN CCCC[C@@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000162871210 1424898353 /nfs/dbraw/zinc/89/83/53/1424898353.db2.gz KBAXQTWTRKOSME-SFHVURJKSA-N 0 1 389.521 3.043 20 0 GGADMN CCCC[C@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000162871352 1424898375 /nfs/dbraw/zinc/89/83/75/1424898375.db2.gz KBAXQTWTRKOSME-GOSISDBHSA-N 0 1 389.521 3.043 20 0 GGADMN O=C(OC[C@H]1CCCN1Cc1ccco1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000162877951 1424898612 /nfs/dbraw/zinc/89/86/12/1424898612.db2.gz WJXAYCLDPLHEGW-AEFFLSMTSA-N 0 1 386.448 3.075 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820708950 1429762446 /nfs/dbraw/zinc/76/24/46/1429762446.db2.gz APTXSXFLGWPDRV-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820708950 1429762448 /nfs/dbraw/zinc/76/24/48/1429762448.db2.gz APTXSXFLGWPDRV-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820708950 1429762449 /nfs/dbraw/zinc/76/24/49/1429762449.db2.gz APTXSXFLGWPDRV-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN c1ccc([C@@H]([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)C2CCOCC2)cc1 ZINC000826520472 1429762609 /nfs/dbraw/zinc/76/26/09/1429762609.db2.gz KDTHYSOSZFNNTP-HXUWFJFHSA-N 0 1 379.464 3.003 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CCN1CCOC ZINC000162910833 1424904708 /nfs/dbraw/zinc/90/47/08/1424904708.db2.gz FCPHQVUYGAOGOU-GOSISDBHSA-N 0 1 387.484 3.010 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)OCCO2 ZINC000162935085 1424909266 /nfs/dbraw/zinc/90/92/66/1424909266.db2.gz MCWZQGYXZKUATB-XJKSGUPXSA-N 0 1 397.479 3.104 20 0 GGADMN CCc1ccc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)cc1 ZINC000162944227 1424911195 /nfs/dbraw/zinc/91/11/95/1424911195.db2.gz SRZPSEDVLVCQDZ-UHFFFAOYSA-N 0 1 383.517 3.375 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000162950282 1424911622 /nfs/dbraw/zinc/91/16/22/1424911622.db2.gz ZJRMECDJUAUNTI-GFCCVEGCSA-N 0 1 393.896 3.434 20 0 GGADMN O=C(NCc1ccccc1OC(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162956932 1424912446 /nfs/dbraw/zinc/91/24/46/1424912446.db2.gz YQFHJWOGPOADNI-CQSZACIVSA-N 0 1 391.422 3.373 20 0 GGADMN C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162954538 1424912835 /nfs/dbraw/zinc/91/28/35/1424912835.db2.gz SEISWEQBHNJPDR-YOEHRIQHSA-N 0 1 383.496 3.298 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000162976847 1424915720 /nfs/dbraw/zinc/91/57/20/1424915720.db2.gz JDILYRIABPBWSI-DYVFJYSZSA-N 0 1 396.495 3.291 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000162976733 1424916017 /nfs/dbraw/zinc/91/60/17/1424916017.db2.gz JDILYRIABPBWSI-GUYCJALGSA-N 0 1 396.495 3.291 20 0 GGADMN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000162978991 1424916837 /nfs/dbraw/zinc/91/68/37/1424916837.db2.gz OEHVQAMYPJFCAN-QGZVFWFLSA-N 0 1 397.527 3.013 20 0 GGADMN COc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(OC)c1 ZINC000162982722 1424917597 /nfs/dbraw/zinc/91/75/97/1424917597.db2.gz WISJHSNGVAIKSE-DZGCQCFKSA-N 0 1 399.495 3.350 20 0 GGADMN CN(CCOc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825946109 1424918732 /nfs/dbraw/zinc/91/87/32/1424918732.db2.gz JEHVTBYGAKREAK-UHFFFAOYSA-N 0 1 388.269 3.140 20 0 GGADMN C[N@H+](CCOc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825946109 1424918736 /nfs/dbraw/zinc/91/87/36/1424918736.db2.gz JEHVTBYGAKREAK-UHFFFAOYSA-N 0 1 388.269 3.140 20 0 GGADMN C[N@@H+](CCOc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825946109 1424918741 /nfs/dbraw/zinc/91/87/41/1424918741.db2.gz JEHVTBYGAKREAK-UHFFFAOYSA-N 0 1 388.269 3.140 20 0 GGADMN CCN(CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1C ZINC000162997590 1424920262 /nfs/dbraw/zinc/92/02/62/1424920262.db2.gz QMJSWZACPBSUJG-GOSISDBHSA-N 0 1 396.539 3.406 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163012983 1424923195 /nfs/dbraw/zinc/92/31/95/1424923195.db2.gz IDEFZNWDFIMDBT-TZMCWYRMSA-N 0 1 387.459 3.480 20 0 GGADMN COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163012685 1424923281 /nfs/dbraw/zinc/92/32/81/1424923281.db2.gz IDEFZNWDFIMDBT-JSGCOSHPSA-N 0 1 387.459 3.480 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163016065 1424923998 /nfs/dbraw/zinc/92/39/98/1424923998.db2.gz LXWOTIQQYJQWPW-HNNXBMFYSA-N 0 1 383.471 3.442 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NO[C@H]1CCCCO1 ZINC000163034818 1424927453 /nfs/dbraw/zinc/92/74/53/1424927453.db2.gz KBSQIDYPYLBXGA-SFHVURJKSA-N 0 1 381.904 3.309 20 0 GGADMN O=C(NCCCOCCc1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163033312 1424927771 /nfs/dbraw/zinc/92/77/71/1424927771.db2.gz YEROOYUIXGVKLT-LJQANCHMSA-N 0 1 397.523 3.221 20 0 GGADMN C[C@@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)COCc1ccccc1 ZINC000163062832 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JURQIVNAZBPOCC-XHSDSOJGSA-N 0 1 375.517 3.165 20 0 GGADMN O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163274545 1424971079 /nfs/dbraw/zinc/97/10/79/1424971079.db2.gz MFFDOJYLFQEZAF-SJORKVTESA-N 0 1 387.528 3.453 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C[C@@H](C)SC)CC2)c1C ZINC000163279454 1424972158 /nfs/dbraw/zinc/97/21/58/1424972158.db2.gz LBJHNENOIHKLKT-OAHLLOKOSA-N 0 1 379.570 3.271 20 0 GGADMN O=C(NCc1ccnc(OC2CCC2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163297596 1424975662 /nfs/dbraw/zinc/97/56/62/1424975662.db2.gz GTDLERKAHILBKO-INIZCTEOSA-N 0 1 396.495 3.098 20 0 GGADMN CC[NH+](CC)C[C@@H](C)NCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736535161 1424975868 /nfs/dbraw/zinc/97/58/68/1424975868.db2.gz UJEZKPJWYQDPDO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736535161 1424975871 /nfs/dbraw/zinc/97/58/71/1424975871.db2.gz UJEZKPJWYQDPDO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN 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/nfs/dbraw/zinc/98/46/67/1424984667.db2.gz BLMMJJQJMAZERX-OAQYLSRUSA-N 0 1 391.515 3.371 20 0 GGADMN CCc1nc2c(s1)[C@H](NCC(=O)N1CCN(c3ccccc3)CC1)CCC2 ZINC000163357717 1424984752 /nfs/dbraw/zinc/98/47/52/1424984752.db2.gz QOCYFPLVOOTYNC-QGZVFWFLSA-N 0 1 384.549 3.021 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000163368960 1424986364 /nfs/dbraw/zinc/98/63/64/1424986364.db2.gz CNDSTJXGOQOAJE-INIZCTEOSA-N 0 1 389.446 3.287 20 0 GGADMN C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CC[NH2+]C1 ZINC000163441508 1424999661 /nfs/dbraw/zinc/99/96/61/1424999661.db2.gz WAIFTJXZCCTYHD-GOSISDBHSA-N 0 1 393.896 3.079 20 0 GGADMN O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000163442272 1424999899 /nfs/dbraw/zinc/99/98/99/1424999899.db2.gz MIHKUJHPJPECJD-HNNXBMFYSA-N 0 1 393.896 3.221 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(CC(C)(C)O)CC1 ZINC000163451299 1425001558 /nfs/dbraw/zinc/00/15/58/1425001558.db2.gz ZCFQQWKHPQUBTP-GFCCVEGCSA-N 0 1 399.322 3.493 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163488611 1425006495 /nfs/dbraw/zinc/00/64/95/1425006495.db2.gz WWFVURPNFBTHDT-LSDHHAIUSA-N 0 1 390.505 3.085 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000163495033 1425007452 /nfs/dbraw/zinc/00/74/52/1425007452.db2.gz SOUWUOFOXMYQEW-UONOGXRCSA-N 0 1 378.469 3.215 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000163495133 1425007470 /nfs/dbraw/zinc/00/74/70/1425007470.db2.gz SOUWUOFOXMYQEW-KBPBESRZSA-N 0 1 378.469 3.215 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000163491320 1425007556 /nfs/dbraw/zinc/00/75/56/1425007556.db2.gz KDBKLLYXDSJGDQ-NWDGAFQWSA-N 0 1 382.432 3.046 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000163532867 1425012936 /nfs/dbraw/zinc/01/29/36/1425012936.db2.gz QIJKLRWWSMBPLO-UHFFFAOYSA-N 0 1 391.475 3.045 20 0 GGADMN COc1ccc(C(C)(C)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000163535825 1425013434 /nfs/dbraw/zinc/01/34/34/1425013434.db2.gz MRXKTCUQOTZJJM-UHFFFAOYSA-N 0 1 381.520 3.359 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000163546914 1425015774 /nfs/dbraw/zinc/01/57/74/1425015774.db2.gz SKSFJDVKEMHHNB-KGLIPLIRSA-N 0 1 394.924 3.272 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cccc(Cl)c2COC)CCN1CCOC ZINC000163559915 1425018109 /nfs/dbraw/zinc/01/81/09/1425018109.db2.gz OCKYIAZMNKHGLF-HNNXBMFYSA-N 0 1 383.920 3.451 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C4CCOCC4)[nH]n3)n2)cc1 ZINC000163598166 1425022746 /nfs/dbraw/zinc/02/27/46/1425022746.db2.gz WNYAJAFEABFIJD-UHFFFAOYSA-N 0 1 398.492 3.128 20 0 GGADMN OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738393928 1425024077 /nfs/dbraw/zinc/02/40/77/1425024077.db2.gz OFXNYNXSVVVNQM-PZJWPPBQSA-N 0 1 393.491 3.086 20 0 GGADMN CCNC(=O)NCc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000163619245 1425024894 /nfs/dbraw/zinc/02/48/94/1425024894.db2.gz HSYAKZFSLYZAFQ-UHFFFAOYSA-N 0 1 393.447 3.157 20 0 GGADMN CN(Cc1ccc(-c2nnn[n-]2)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736816651 1425027752 /nfs/dbraw/zinc/02/77/52/1425027752.db2.gz MCLGRYJYYUTRPG-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)cc2)CC1 ZINC000163642172 1425028092 /nfs/dbraw/zinc/02/80/92/1425028092.db2.gz LHFJFQDLZFNWRQ-UHFFFAOYSA-N 0 1 382.489 3.116 20 0 GGADMN O=C(CN1C[C@@H]2CCCC[C@@]21c1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000163664143 1425030626 /nfs/dbraw/zinc/03/06/26/1425030626.db2.gz ZQWNHCUUGQZTPY-WMZHIEFXSA-N 0 1 384.520 3.190 20 0 GGADMN CCCOCc1ccccc1CN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000163662017 1425031037 /nfs/dbraw/zinc/03/10/37/1425031037.db2.gz PAGXZPZQNMAFLQ-MRXNPFEDSA-N 0 1 376.522 3.372 20 0 GGADMN COCc1noc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000180160212 1429771243 /nfs/dbraw/zinc/77/12/43/1429771243.db2.gz UTZRIDAQMCUYAS-UHFFFAOYSA-N 0 1 376.460 3.104 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000163688553 1425033876 /nfs/dbraw/zinc/03/38/76/1425033876.db2.gz SROQMKJNSVUDOT-DOTOQJQBSA-N 0 1 398.507 3.242 20 0 GGADMN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC[C@H](CN3CCOCC3)C2)C1 ZINC000163697822 1425035228 /nfs/dbraw/zinc/03/52/28/1425035228.db2.gz XYDLOLQAVAXBGU-NJDAHSKKSA-N 0 1 380.573 3.323 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000163719142 1425037651 /nfs/dbraw/zinc/03/76/51/1425037651.db2.gz SMSYOZFBHCUGBK-INIZCTEOSA-N 0 1 398.507 3.124 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000826169110 1425040761 /nfs/dbraw/zinc/04/07/61/1425040761.db2.gz IUAIFXMMPMJDGE-INIZCTEOSA-N 0 1 384.509 3.328 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000826169110 1425040768 /nfs/dbraw/zinc/04/07/68/1425040768.db2.gz IUAIFXMMPMJDGE-INIZCTEOSA-N 0 1 384.509 3.328 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000826169110 1425040772 /nfs/dbraw/zinc/04/07/72/1425040772.db2.gz IUAIFXMMPMJDGE-INIZCTEOSA-N 0 1 384.509 3.328 20 0 GGADMN C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605781 1425046041 /nfs/dbraw/zinc/04/60/41/1425046041.db2.gz LJERPEDHDTUGPH-CQSZACIVSA-N 0 1 377.427 3.085 20 0 GGADMN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cnn(Cc2ccccc2)c1 ZINC000163821795 1425048162 /nfs/dbraw/zinc/04/81/62/1425048162.db2.gz URMRHRKIVQRJHB-SFHVURJKSA-N 0 1 392.503 3.249 20 0 GGADMN O[C@@H](C[NH2+]CC1(c2ccc(F)cc2)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682579 1429772477 /nfs/dbraw/zinc/77/24/77/1429772477.db2.gz ROUIHGBYXQXSQE-IBGZPJMESA-N 0 1 381.455 3.141 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 ZINC000163895855 1425055051 /nfs/dbraw/zinc/05/50/51/1425055051.db2.gz KUXNAWWSDKWFDA-LSDHHAIUSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)n[nH]2)cc1 ZINC000163895855 1425055056 /nfs/dbraw/zinc/05/50/56/1425055056.db2.gz KUXNAWWSDKWFDA-LSDHHAIUSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 ZINC000163895976 1425055658 /nfs/dbraw/zinc/05/56/58/1425055658.db2.gz KUXNAWWSDKWFDA-GJZGRUSLSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)n[nH]2)cc1 ZINC000163895976 1425055667 /nfs/dbraw/zinc/05/56/67/1425055667.db2.gz KUXNAWWSDKWFDA-GJZGRUSLSA-N 0 1 384.386 3.178 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820981917 1425057550 /nfs/dbraw/zinc/05/75/50/1425057550.db2.gz XJVPNLDSSQLCPZ-HZPDHXFCSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820981917 1425057559 /nfs/dbraw/zinc/05/75/59/1425057559.db2.gz XJVPNLDSSQLCPZ-HZPDHXFCSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820981917 1425057562 /nfs/dbraw/zinc/05/75/62/1425057562.db2.gz XJVPNLDSSQLCPZ-HZPDHXFCSA-N 0 1 399.543 3.128 20 0 GGADMN CCn1cc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cn1 ZINC000163997657 1425066371 /nfs/dbraw/zinc/06/63/71/1425066371.db2.gz DMMORDUVYACGGT-DLBZAZTESA-N 0 1 390.553 3.174 20 0 GGADMN CN1CC[C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000163996666 1425066580 /nfs/dbraw/zinc/06/65/80/1425066580.db2.gz QQMYNWRDBVDRMY-YJLNNSPDSA-N 0 1 383.895 3.028 20 0 GGADMN CC[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000163998633 1425066962 /nfs/dbraw/zinc/06/69/62/1425066962.db2.gz ALVIEWYOOGCMHN-OXJNMPFZSA-N 0 1 390.553 3.082 20 0 GGADMN CN1CC[C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000163996783 1425066999 /nfs/dbraw/zinc/06/69/99/1425066999.db2.gz QQMYNWRDBVDRMY-POZUXBRTSA-N 0 1 383.895 3.028 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(-n4cncn4)cc3)n2)cc1 ZINC000164034976 1425070211 /nfs/dbraw/zinc/07/02/11/1425070211.db2.gz YZOKPKSHIQGJNO-UHFFFAOYSA-N 0 1 391.460 3.092 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000737032767 1425073960 /nfs/dbraw/zinc/07/39/60/1425073960.db2.gz NICBAJLDFXQNPP-QGZVFWFLSA-N 0 1 379.464 3.052 20 0 GGADMN Cn1c2cc(NCc3c(Cl)cccc3N3CCN(C)CC3)ccc2oc1=O ZINC000180163234 1429774748 /nfs/dbraw/zinc/77/47/48/1429774748.db2.gz KJWBZXKXZULIOL-UHFFFAOYSA-N 0 1 386.883 3.149 20 0 GGADMN COc1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000821817929 1425082299 /nfs/dbraw/zinc/08/22/99/1425082299.db2.gz COBBUEQHTAJOAZ-UHFFFAOYSA-N 0 1 393.369 3.106 20 0 GGADMN C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C(C)(C)C[NH+](C)C ZINC000820450864 1425083575 /nfs/dbraw/zinc/08/35/75/1425083575.db2.gz PYYWQUKWKNRRCE-JTQLQIEISA-N 0 1 375.427 3.081 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000737033009 1425084676 /nfs/dbraw/zinc/08/46/76/1425084676.db2.gz QJEJPQDTKDNMIG-SFHVURJKSA-N 0 1 379.464 3.400 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H](O)c1ccccc1 ZINC000164211948 1425087827 /nfs/dbraw/zinc/08/78/27/1425087827.db2.gz GWGUESMILNEAAR-QZTJIDSGSA-N 0 1 378.394 3.130 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820683836 1425089204 /nfs/dbraw/zinc/08/92/04/1425089204.db2.gz HXOZGNWPXLUJFX-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820683836 1425089212 /nfs/dbraw/zinc/08/92/12/1425089212.db2.gz HXOZGNWPXLUJFX-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820683836 1425089218 /nfs/dbraw/zinc/08/92/18/1425089218.db2.gz HXOZGNWPXLUJFX-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN Cn1cc(C[NH2+]Cc2cccc3cc[nH]c32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361635 1425092177 /nfs/dbraw/zinc/09/21/77/1425092177.db2.gz GPKMJBJPGAWNPR-UHFFFAOYSA-N 0 1 384.447 3.038 20 0 GGADMN Cc1c(Cl)cnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237400 1425102057 /nfs/dbraw/zinc/10/20/57/1425102057.db2.gz YIBFQNOAFRHZKK-MRXNPFEDSA-N 0 1 397.914 3.182 20 0 GGADMN Cc1c(Cl)cnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237400 1425102061 /nfs/dbraw/zinc/10/20/61/1425102061.db2.gz YIBFQNOAFRHZKK-MRXNPFEDSA-N 0 1 397.914 3.182 20 0 GGADMN Cc1c(Cl)cnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237400 1425102066 /nfs/dbraw/zinc/10/20/66/1425102066.db2.gz YIBFQNOAFRHZKK-MRXNPFEDSA-N 0 1 397.914 3.182 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736772160 1425109317 /nfs/dbraw/zinc/10/93/17/1425109317.db2.gz XYCLMBMCWWYOHS-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)CN1Cc1ccccc1 ZINC000164432141 1425110971 /nfs/dbraw/zinc/11/09/71/1425110971.db2.gz FWVIWTLNBNMSPY-GOEBONIOSA-N 0 1 380.460 3.047 20 0 GGADMN C[C@@H](NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000164442595 1425112046 /nfs/dbraw/zinc/11/20/46/1425112046.db2.gz LATRDKQVAWFMER-ABAIWWIYSA-N 0 1 390.369 3.368 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000164469281 1425115004 /nfs/dbraw/zinc/11/50/04/1425115004.db2.gz VLGZXIBSOKJZJG-CBQOVEMMSA-N 0 1 383.536 3.071 20 0 GGADMN Cc1ccc(C)n1C1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822231741 1425115917 /nfs/dbraw/zinc/11/59/17/1425115917.db2.gz FWEDFBBTRIGEHQ-UHFFFAOYSA-N 0 1 380.496 3.391 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000164484234 1425116401 /nfs/dbraw/zinc/11/64/01/1425116401.db2.gz ZRGWJBWSKGJOBF-IAQYHMDHSA-N 0 1 390.369 3.368 20 0 GGADMN CSc1ccc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000164549785 1425122886 /nfs/dbraw/zinc/12/28/86/1425122886.db2.gz LMWBXVUNCSLRSM-UHFFFAOYSA-N 0 1 398.532 3.046 20 0 GGADMN CCc1cc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)ccc1C ZINC000164553416 1425123581 /nfs/dbraw/zinc/12/35/81/1425123581.db2.gz YQSKHWKKHJTTRL-UHFFFAOYSA-N 0 1 394.519 3.195 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)o1 ZINC000164560046 1425124109 /nfs/dbraw/zinc/12/41/09/1425124109.db2.gz YTEVYXWJIISCSJ-UHFFFAOYSA-N 0 1 379.221 3.064 20 0 GGADMN NC(=O)c1ccc(NC(=O)CCN2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000164572976 1425125718 /nfs/dbraw/zinc/12/57/18/1425125718.db2.gz IMWMBKGKCHCZQM-JOCHJYFZSA-N 0 1 388.471 3.021 20 0 GGADMN COc1cccc2c1CC[C@@H]2NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000164586813 1425126766 /nfs/dbraw/zinc/12/67/66/1425126766.db2.gz YDSDZYIIGWXIJU-FQEVSTJZSA-N 0 1 380.492 3.041 20 0 GGADMN Cn1c(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)nc2cc(Cl)ccc21 ZINC000826355115 1425129222 /nfs/dbraw/zinc/12/92/22/1425129222.db2.gz KMYFMYVCKGPGGF-UHFFFAOYSA-N 0 1 379.855 3.186 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000164618981 1425130031 /nfs/dbraw/zinc/13/00/31/1425130031.db2.gz ARCPPAQKJUVKQN-UHFFFAOYSA-N 0 1 390.852 3.092 20 0 GGADMN COCCCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000164623590 1425130659 /nfs/dbraw/zinc/13/06/59/1425130659.db2.gz ZSSLOXCAFHGCPM-UHFFFAOYSA-N 0 1 380.448 3.159 20 0 GGADMN COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1 ZINC000826218672 1425138502 /nfs/dbraw/zinc/13/85/02/1425138502.db2.gz INKGEPXAVIANRT-OXJNMPFZSA-N 0 1 392.507 3.363 20 0 GGADMN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCc1c(C)noc1C ZINC000164738342 1425138927 /nfs/dbraw/zinc/13/89/27/1425138927.db2.gz ZMMWWZLCTVXGRR-SFHVURJKSA-N 0 1 388.464 3.014 20 0 GGADMN C[C@H](Nc1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21)c1ccccn1 ZINC000736139909 1425142226 /nfs/dbraw/zinc/14/22/26/1425142226.db2.gz RVDQJGXJOCOHDA-JTQLQIEISA-N 0 1 383.362 3.006 20 0 GGADMN c1nc(C2CCCC2)sc1C[NH+]1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826522430 1425142784 /nfs/dbraw/zinc/14/27/84/1425142784.db2.gz ZMTMGGZLWOWESC-UHFFFAOYSA-N 0 1 395.536 3.303 20 0 GGADMN CN1CC[C@H](CNC(=O)NO[C@@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164830364 1425145538 /nfs/dbraw/zinc/14/55/38/1425145538.db2.gz YQPQMDBLFQKQOF-XYPHTWIQSA-N 0 1 385.867 3.229 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)ccc2o1 ZINC000164878777 1425148483 /nfs/dbraw/zinc/14/84/83/1425148483.db2.gz QLZXJBAVLOICQR-KRWDZBQOSA-N 0 1 385.443 3.457 20 0 GGADMN CCCOc1ncccc1CNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000164908068 1425151001 /nfs/dbraw/zinc/15/10/01/1425151001.db2.gz CRBNWKMNMKOPRU-UHFFFAOYSA-N 0 1 397.504 3.372 20 0 GGADMN O=C1CCc2cc(S(=O)(=O)Nc3cccnc3-c3ccccc3)ccc2N1 ZINC000164986654 1425154340 /nfs/dbraw/zinc/15/43/40/1425154340.db2.gz DZBOQZZHJGLPGO-UHFFFAOYSA-N 0 1 379.441 3.434 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000821650408 1425156621 /nfs/dbraw/zinc/15/66/21/1425156621.db2.gz RDWCPNWLSYVQFR-YSGRDPCXSA-N 0 1 391.475 3.034 20 0 GGADMN CC[C@@H](N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)N1CCOCC1 ZINC000165027537 1425157663 /nfs/dbraw/zinc/15/76/63/1425157663.db2.gz YNPYWLDSTLGCJN-IFXJQAMLSA-N 0 1 390.915 3.122 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139091049 1425164909 /nfs/dbraw/zinc/16/49/09/1425164909.db2.gz CKGFYFLJPCVRJA-IBGZPJMESA-N 0 1 390.491 3.477 20 0 GGADMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139091049 1425164923 /nfs/dbraw/zinc/16/49/23/1425164923.db2.gz CKGFYFLJPCVRJA-IBGZPJMESA-N 0 1 390.491 3.477 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000165135101 1425167144 /nfs/dbraw/zinc/16/71/44/1425167144.db2.gz IHXPOVRAPDBDTL-HNNXBMFYSA-N 0 1 391.313 3.070 20 0 GGADMN NCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)o1 ZINC000165147517 1425167276 /nfs/dbraw/zinc/16/72/76/1425167276.db2.gz UWHPJHGAVFBDDZ-SFHVURJKSA-N 0 1 381.501 3.329 20 0 GGADMN Cc1cccc(C)c1OC[C@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826296836 1425183293 /nfs/dbraw/zinc/18/32/93/1425183293.db2.gz KREQCZPOZZMQHF-SFHVURJKSA-N 0 1 380.496 3.462 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC3CCN(Cc4ccccn4)CC3)ccc2o1 ZINC000165591094 1425187697 /nfs/dbraw/zinc/18/76/97/1425187697.db2.gz HKTQNXFWLCLXTJ-UHFFFAOYSA-N 0 1 394.479 3.075 20 0 GGADMN C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cnccn1 ZINC000165587786 1425187778 /nfs/dbraw/zinc/18/77/78/1425187778.db2.gz VPPWYLUPIAYCAD-CQSZACIVSA-N 0 1 379.430 3.098 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000826513439 1425188512 /nfs/dbraw/zinc/18/85/12/1425188512.db2.gz LKTWFHDKFPYMMZ-LEWJYISDSA-N 0 1 380.540 3.390 20 0 GGADMN O=C(N[C@H]1CN2CCC1CC2)c1ccc(Br)cc1Br ZINC000232486067 1433373397 /nfs/dbraw/zinc/37/33/97/1433373397.db2.gz ULGBLXRTXGWNDK-ZDUSSCGKSA-N 0 1 388.103 3.036 20 0 GGADMN CCOc1ccc(NC(=O)CNCc2c[nH]nc2-c2cccc(OC)c2)cc1 ZINC000165891115 1425199539 /nfs/dbraw/zinc/19/95/39/1425199539.db2.gz MZIJNOYKSUNYSH-UHFFFAOYSA-N 0 1 380.448 3.212 20 0 GGADMN Cc1cccc2c(O)c(C(=O)N3CCC(CCCN4CCOCC4)CC3)cnc12 ZINC000165913885 1425201373 /nfs/dbraw/zinc/20/13/73/1425201373.db2.gz ABVYILBJZJZXGN-UHFFFAOYSA-N 0 1 397.519 3.213 20 0 GGADMN O=C(NC[C@H]1CCCO1)c1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000166064568 1425205697 /nfs/dbraw/zinc/20/56/97/1425205697.db2.gz MHEMFZHHACUBOZ-OAQYLSRUSA-N 0 1 390.487 3.275 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(Br)nc1 ZINC000166431549 1425212933 /nfs/dbraw/zinc/21/29/33/1425212933.db2.gz DYOUFAXDNATVCQ-CYBMUJFWSA-N 0 1 379.258 3.396 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166585093 1425214628 /nfs/dbraw/zinc/21/46/28/1425214628.db2.gz LIOMGSZJPPVFOH-NQERJWCQSA-N 0 1 388.533 3.026 20 0 GGADMN COc1cc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000166613854 1425215221 /nfs/dbraw/zinc/21/52/21/1425215221.db2.gz CHBGZCXQSICLPX-GYOIFBIXSA-N 0 1 397.443 3.000 20 0 GGADMN CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)Cc1cccnc1 ZINC000166819753 1425217682 /nfs/dbraw/zinc/21/76/82/1425217682.db2.gz HDPSPXOWVCPCRR-FQEVSTJZSA-N 0 1 386.927 3.120 20 0 GGADMN CCc1noc(CC)c1CN[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000166935382 1425219187 /nfs/dbraw/zinc/21/91/87/1425219187.db2.gz SRRGQBQJCRZSNT-CYBMUJFWSA-N 0 1 375.469 3.324 20 0 GGADMN Cc1cccc([C@H]2CCCN2C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)n1 ZINC000166994523 1425220070 /nfs/dbraw/zinc/22/00/70/1425220070.db2.gz QGAQMDWBXVYMEM-GOSISDBHSA-N 0 1 394.500 3.142 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826182937 1425225511 /nfs/dbraw/zinc/22/55/11/1425225511.db2.gz YRXPSEOAHLTMDC-OAHLLOKOSA-N 0 1 385.855 3.182 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000826182937 1425225515 /nfs/dbraw/zinc/22/55/15/1425225515.db2.gz YRXPSEOAHLTMDC-OAHLLOKOSA-N 0 1 385.855 3.182 20 0 GGADMN CCn1cc([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cn1 ZINC000167387319 1425225553 /nfs/dbraw/zinc/22/55/53/1425225553.db2.gz IFBDIWXSPGWVEV-INIZCTEOSA-N 0 1 378.480 3.471 20 0 GGADMN c1ccc(Cc2nccc(N3CCC(CCCN4CCOCC4)CC3)n2)cc1 ZINC000167484641 1425227506 /nfs/dbraw/zinc/22/75/06/1425227506.db2.gz IUVZSZPCBRCERU-UHFFFAOYSA-N 0 1 380.536 3.396 20 0 GGADMN Cc1c([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nnn1-c1cccc(Cl)c1 ZINC000822020845 1425231052 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C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647611 1425274101 /nfs/dbraw/zinc/27/41/01/1425274101.db2.gz SDDHGOMAGSJBEK-HZPDHXFCSA-N 0 1 398.507 3.408 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647667 1425274472 /nfs/dbraw/zinc/27/44/72/1425274472.db2.gz LNPLELQVPMBXQP-RCCFBDPRSA-N 0 1 389.540 3.407 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170647991 1425275115 /nfs/dbraw/zinc/27/51/15/1425275115.db2.gz USBYESYARHQUHX-IAGOWNOFSA-N 0 1 375.513 3.275 20 0 GGADMN CC(C)[C@@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170647829 1425275319 /nfs/dbraw/zinc/27/53/19/1425275319.db2.gz FEYZIJQJLHAGDR-YLJYHZDGSA-N 0 1 389.540 3.347 20 0 GGADMN C[C@@H](C(=O)NCCC1=CCCCC1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647987 1425275441 /nfs/dbraw/zinc/27/54/41/1425275441.db2.gz SEWUAHCDBKBTHD-FUHWJXTLSA-N 0 1 379.545 3.228 20 0 GGADMN CC(C)N(C(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170648505 1425276345 /nfs/dbraw/zinc/27/63/45/1425276345.db2.gz CAXKMFFSLIVJIC-KRWDZBQOSA-N 0 1 375.513 3.275 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000170648208 1425276855 /nfs/dbraw/zinc/27/68/55/1425276855.db2.gz DHEPLMLSIWJNDU-HRCADAONSA-N 0 1 393.503 3.238 20 0 GGADMN COc1cc([C@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)ccc1OC1CCCC1 ZINC000826177733 1425278775 /nfs/dbraw/zinc/27/87/75/1425278775.db2.gz SKJHVVXJAFRVBX-AWEZNQCLSA-N 0 1 394.479 3.443 20 0 GGADMN CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2C1 ZINC000824266222 1425279774 /nfs/dbraw/zinc/27/97/74/1425279774.db2.gz GYUGJMJWMQVSPF-UHFFFAOYSA-N 0 1 398.417 3.369 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)c2C1 ZINC000824266222 1425279780 /nfs/dbraw/zinc/27/97/80/1425279780.db2.gz GYUGJMJWMQVSPF-UHFFFAOYSA-N 0 1 398.417 3.369 20 0 GGADMN O=S(=O)(N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1OC(F)F ZINC000170658645 1425280421 /nfs/dbraw/zinc/28/04/21/1425280421.db2.gz QFHZCDFLMSPQDT-MRXNPFEDSA-N 0 1 396.459 3.403 20 0 GGADMN O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823188124 1425285343 /nfs/dbraw/zinc/28/53/43/1425285343.db2.gz VICNNGWJGNYNCD-UHFFFAOYSA-N 0 1 389.479 3.174 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C)CCc2ccncc2)N2CCCC2)cc1 ZINC000170673649 1425291246 /nfs/dbraw/zinc/29/12/46/1425291246.db2.gz ZZJDMHYYMAWMFC-OAQYLSRUSA-N 0 1 382.508 3.111 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)CCc2ccncc2)N2CCCC2)c1 ZINC000170674807 1425291265 /nfs/dbraw/zinc/29/12/65/1425291265.db2.gz YKIRGBHKTCEEJQ-NRFANRHFSA-N 0 1 382.508 3.111 20 0 GGADMN O=C(NCc1nccn1C(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000170676541 1425291948 /nfs/dbraw/zinc/29/19/48/1425291948.db2.gz BYDAVVPVANXVPJ-UHFFFAOYSA-N 0 1 397.857 3.395 20 0 GGADMN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)NC1CCN(Cc2ccccn2)CC1 ZINC000170679203 1425293224 /nfs/dbraw/zinc/29/32/24/1425293224.db2.gz SVUIKPGWQCRPRE-VXKWHMMOSA-N 0 1 394.519 3.266 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)N(C)CCc3ccncc3)cc2)C[C@H](C)O1 ZINC000170679285 1425294287 /nfs/dbraw/zinc/29/42/87/1425294287.db2.gz LDCQFMZFLNOPJL-OALUTQOASA-N 0 1 396.535 3.075 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170680464 1425294659 /nfs/dbraw/zinc/29/46/59/1425294659.db2.gz HEMVMLTZZFVUCQ-FGZHOGPDSA-N 0 1 379.504 3.264 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)N(C(C)C)C(C)C)C2)cc1 ZINC000170687628 1425300224 /nfs/dbraw/zinc/30/02/24/1425300224.db2.gz AGFJJJCEXHKDIM-LJQANCHMSA-N 0 1 388.556 3.474 20 0 GGADMN COc1cccc([C@@H]2CCCN2C(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000170689308 1425300777 /nfs/dbraw/zinc/30/07/77/1425300777.db2.gz CPGFSCNWGPJYNW-IBGZPJMESA-N 0 1 392.459 3.055 20 0 GGADMN COc1cccc([C@H]2CCCN2C(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000170689311 1425300862 /nfs/dbraw/zinc/30/08/62/1425300862.db2.gz CPGFSCNWGPJYNW-LJQANCHMSA-N 0 1 392.459 3.055 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578293 1425300957 /nfs/dbraw/zinc/30/09/57/1425300957.db2.gz SBGGZHDDNGXNBO-YVEFUNNKSA-N 0 1 382.855 3.364 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@H]1CCSc2ccccc21 ZINC000170689833 1425301611 /nfs/dbraw/zinc/30/16/11/1425301611.db2.gz ZVOAEHUAKAPPLO-HNNXBMFYSA-N 0 1 380.473 3.036 20 0 GGADMN Cc1nc(CN2CCC(C(=O)NC[C@H](c3cccs3)N(C)C)CC2)cs1 ZINC000170693245 1425303185 /nfs/dbraw/zinc/30/31/85/1425303185.db2.gz QGMWVZLLDKNLLE-QGZVFWFLSA-N 0 1 392.594 3.144 20 0 GGADMN COc1ccc(OC)c(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000170698351 1425305174 /nfs/dbraw/zinc/30/51/74/1425305174.db2.gz UZEMDAUYLYQTQU-UHFFFAOYSA-N 0 1 384.480 3.408 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CC(C)(C)C)c2-c2nn[n-]n2)C1 ZINC000736279060 1425309068 /nfs/dbraw/zinc/30/90/68/1425309068.db2.gz KCVVEALDEOGKNU-GFCCVEGCSA-N 0 1 390.557 3.360 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@H+](C)CC(C)(C)C)c2-c2nnn[n-]2)C1 ZINC000736279060 1425309071 /nfs/dbraw/zinc/30/90/71/1425309071.db2.gz KCVVEALDEOGKNU-GFCCVEGCSA-N 0 1 390.557 3.360 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CC(C)(C)C)c2-c2nnn[n-]2)C1 ZINC000736279060 1425309075 /nfs/dbraw/zinc/30/90/75/1425309075.db2.gz KCVVEALDEOGKNU-GFCCVEGCSA-N 0 1 390.557 3.360 20 0 GGADMN C[C@H](CN1CCOCC1)NCc1cc(Br)sc1Br ZINC000235482779 1433373719 /nfs/dbraw/zinc/37/37/19/1433373719.db2.gz ITXJTLDMRAWHFU-SECBINFHSA-N 0 1 398.164 3.083 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)nc2)N2CCCC2)cc1 ZINC000170721294 1425316582 /nfs/dbraw/zinc/31/65/82/1425316582.db2.gz YYTUAUZBLVPTPE-OAQYLSRUSA-N 0 1 394.519 3.257 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)N2CCCC2)o1 ZINC000170724878 1425318557 /nfs/dbraw/zinc/31/85/57/1425318557.db2.gz BHDLBVMNDDMMSG-YJBOKZPZSA-N 0 1 399.495 3.276 20 0 GGADMN NC(=O)CC[C@H]1CCCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000170732664 1425321627 /nfs/dbraw/zinc/32/16/27/1425321627.db2.gz MRDZCMYQCSVNPP-ZHRRBRCNSA-N 0 1 389.515 3.151 20 0 GGADMN COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826206691 1425324264 /nfs/dbraw/zinc/32/42/64/1425324264.db2.gz HHQMIGCSJWRFQJ-AWEZNQCLSA-N 0 1 385.443 3.272 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc([C@@H](C)O)cc1)N1CCCC1 ZINC000170748945 1425326543 /nfs/dbraw/zinc/32/65/43/1425326543.db2.gz CJSFJFGAJJMPBU-DYESRHJHSA-N 0 1 397.519 3.385 20 0 GGADMN Cn1nccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000170760178 1425330196 /nfs/dbraw/zinc/33/01/96/1425330196.db2.gz VVARFSIKSJMKND-UHFFFAOYSA-N 0 1 390.852 3.127 20 0 GGADMN Fc1cccc(Cl)c1CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826377297 1425335955 /nfs/dbraw/zinc/33/59/55/1425335955.db2.gz MDELLMFYVJPXPG-SFHVURJKSA-N 0 1 387.846 3.275 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)c(C)o1 ZINC000170775679 1425336426 /nfs/dbraw/zinc/33/64/26/1425336426.db2.gz NBBGIPCVDJXJBJ-LJQANCHMSA-N 0 1 378.419 3.102 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)c(C)o1 ZINC000170775602 1425336778 /nfs/dbraw/zinc/33/67/78/1425336778.db2.gz UJDIOVMXLMTFML-LJQANCHMSA-N 0 1 378.419 3.102 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)c(C)o1 ZINC000170776838 1425337397 /nfs/dbraw/zinc/33/73/97/1425337397.db2.gz BHKLCALNNMDFLQ-QGZVFWFLSA-N 0 1 397.519 3.138 20 0 GGADMN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cn2)CC1 ZINC000170780717 1425340994 /nfs/dbraw/zinc/34/09/94/1425340994.db2.gz UDPAKFAYMFSAGB-UHFFFAOYSA-N 0 1 393.535 3.322 20 0 GGADMN COc1cc(CNC[C@](O)(c2ccccc2)C(F)(F)F)cc(OC)c1OC ZINC000170790918 1425343874 /nfs/dbraw/zinc/34/38/74/1425343874.db2.gz AJVJRHCZQHIGHS-SFHVURJKSA-N 0 1 385.382 3.252 20 0 GGADMN COc1ccc(OC2CC[NH+]([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737108736 1425349758 /nfs/dbraw/zinc/34/97/58/1425349758.db2.gz ARSFCSRXCMDGJO-HNNXBMFYSA-N 0 1 379.464 3.480 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCOC3CCCC3)c2C1 ZINC000170820331 1425353123 /nfs/dbraw/zinc/35/31/23/1425353123.db2.gz MPFFWIREQLCDGV-MRXNPFEDSA-N 0 1 387.524 3.061 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H](O)C1CCCCC1)N1CCCC1 ZINC000170837016 1425361867 /nfs/dbraw/zinc/36/18/67/1425361867.db2.gz YDFYKHXHGFNTAD-VQTJNVASSA-N 0 1 389.540 3.073 20 0 GGADMN CC(C)[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1nc(C2CC2)no1 ZINC000170839182 1425362895 /nfs/dbraw/zinc/36/28/95/1425362895.db2.gz QLBRDRXCOQEHKJ-GOSISDBHSA-N 0 1 383.496 3.002 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419308 1425364685 /nfs/dbraw/zinc/36/46/85/1425364685.db2.gz GFLYOGKRAPNRCN-INIZCTEOSA-N 0 1 391.523 3.252 20 0 GGADMN CN(C)C(=O)c1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1 ZINC000170843336 1425365351 /nfs/dbraw/zinc/36/53/51/1425365351.db2.gz GTSHQYQSMOHPOW-SFHVURJKSA-N 0 1 378.432 3.369 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C2CCC2)N(C)C)cc1OC ZINC000170862430 1425372931 /nfs/dbraw/zinc/37/29/31/1425372931.db2.gz PURWJCWTLQAJDD-MSOLQXFVSA-N 0 1 375.513 3.281 20 0 GGADMN C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821609514 1425379295 /nfs/dbraw/zinc/37/92/95/1425379295.db2.gz ACTYKPMIROKYEC-INIZCTEOSA-N 0 1 377.370 3.051 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC1(c2ccc(F)cc2)CCCC1)N1CCN(C)CC1 ZINC000170888926 1425381623 /nfs/dbraw/zinc/38/16/23/1425381623.db2.gz KHHVARDIELQDDX-HXUWFJFHSA-N 0 1 390.547 3.166 20 0 GGADMN C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824427393 1425383216 /nfs/dbraw/zinc/38/32/16/1425383216.db2.gz MLNHHDACYCHIFB-CQSZACIVSA-N 0 1 391.454 3.300 20 0 GGADMN CC(=O)N1CCC(CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 ZINC000170897541 1425384344 /nfs/dbraw/zinc/38/43/44/1425384344.db2.gz MSILJNYVDRBMLD-UHFFFAOYSA-N 0 1 393.531 3.307 20 0 GGADMN COc1ccccc1C(C)(C)NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000170899576 1425385208 /nfs/dbraw/zinc/38/52/08/1425385208.db2.gz PLGUZWITQWNTQH-UHFFFAOYSA-N 0 1 382.508 3.289 20 0 GGADMN CN(CCCOc1ccccc1)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000170901924 1425385973 /nfs/dbraw/zinc/38/59/73/1425385973.db2.gz MLGLZWNQVVSGJW-QFIPXVFZSA-N 0 1 382.504 3.112 20 0 GGADMN CN(C[C@H]1CCN(Cn2cnc3cc(F)c(F)cc32)C1)C(=O)OC(C)(C)C ZINC000170903345 1425386526 /nfs/dbraw/zinc/38/65/26/1425386526.db2.gz UEKRFPCBYCFLFE-CYBMUJFWSA-N 0 1 380.439 3.461 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170918440 1425390886 /nfs/dbraw/zinc/39/08/86/1425390886.db2.gz LNMRODNVPLPKML-IAGOWNOFSA-N 0 1 375.513 3.053 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)C(=O)OC(C)(C)C ZINC000170918518 1425391108 /nfs/dbraw/zinc/39/11/08/1425391108.db2.gz FACYACAYZDEBRB-AWEZNQCLSA-N 0 1 388.464 3.187 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)C(=O)OC(C)(C)C ZINC000170918518 1425391117 /nfs/dbraw/zinc/39/11/17/1425391117.db2.gz FACYACAYZDEBRB-AWEZNQCLSA-N 0 1 388.464 3.187 20 0 GGADMN Cc1cc(C)cc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826264554 1425393706 /nfs/dbraw/zinc/39/37/06/1425393706.db2.gz RXXULMQSSUHCPH-UHFFFAOYSA-N 0 1 378.480 3.358 20 0 GGADMN Cc1ccccc1OCCCNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000170921789 1425394542 /nfs/dbraw/zinc/39/45/42/1425394542.db2.gz MZJLHEXCCVDHKX-UHFFFAOYSA-N 0 1 382.508 3.123 20 0 GGADMN CCn1c(=O)[nH]nc1S(=O)(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000170926371 1425396040 /nfs/dbraw/zinc/39/60/40/1425396040.db2.gz CNFJBLGARWBUJY-UHFFFAOYSA-N 0 1 392.506 3.224 20 0 GGADMN Cc1cccnc1CNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000170938645 1425401603 /nfs/dbraw/zinc/40/16/03/1425401603.db2.gz NNNYBRKSBSAGGM-MRXNPFEDSA-N 0 1 380.492 3.005 20 0 GGADMN O=S(=O)([N-]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)c(F)cc1F ZINC000170939789 1425402518 /nfs/dbraw/zinc/40/25/18/1425402518.db2.gz QAXQIOZHCPSPTJ-UHFFFAOYSA-N 0 1 398.450 3.089 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCO[C@H](c4ccco4)C3)c2c1 ZINC000822195594 1425407978 /nfs/dbraw/zinc/40/79/78/1425407978.db2.gz XPHUHQYPBIGAEH-KRWDZBQOSA-N 0 1 376.420 3.203 20 0 GGADMN O=C(CCc1ccco1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000170950278 1425410507 /nfs/dbraw/zinc/41/05/07/1425410507.db2.gz LOYZANIXZLALMU-UHFFFAOYSA-N 0 1 375.900 3.194 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(CN3CCOC[C@H]3C3CC3)c2)c1 ZINC000826516054 1425412768 /nfs/dbraw/zinc/41/27/68/1425412768.db2.gz VMMHNAJPYDDGII-NRFANRHFSA-N 0 1 391.475 3.057 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@@H+]3CCOC[C@H]3C3CC3)c2)c1 ZINC000826516054 1425412775 /nfs/dbraw/zinc/41/27/75/1425412775.db2.gz VMMHNAJPYDDGII-NRFANRHFSA-N 0 1 391.475 3.057 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@H+]3CCOC[C@H]3C3CC3)c2)c1 ZINC000826516054 1425412780 /nfs/dbraw/zinc/41/27/80/1425412780.db2.gz VMMHNAJPYDDGII-NRFANRHFSA-N 0 1 391.475 3.057 20 0 GGADMN Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825966113 1425413304 /nfs/dbraw/zinc/41/33/04/1425413304.db2.gz OLTYVGLZBBRQFM-UHFFFAOYSA-N 0 1 377.427 3.038 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853660 1425420548 /nfs/dbraw/zinc/42/05/48/1425420548.db2.gz YCEJCCRZFNWQOB-PMACEKPBSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853660 1425420553 /nfs/dbraw/zinc/42/05/53/1425420553.db2.gz YCEJCCRZFNWQOB-PMACEKPBSA-N 0 1 391.475 3.178 20 0 GGADMN COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853660 1425420558 /nfs/dbraw/zinc/42/05/58/1425420558.db2.gz YCEJCCRZFNWQOB-PMACEKPBSA-N 0 1 391.475 3.178 20 0 GGADMN C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420535 1425421026 /nfs/dbraw/zinc/42/10/26/1425421026.db2.gz SNYFSIMXKCAGPA-INIZCTEOSA-N 0 1 376.508 3.354 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)NCC1(c2ccccc2)CC1 ZINC000170971004 1425421369 /nfs/dbraw/zinc/42/13/69/1425421369.db2.gz GBHPDAUTSWJVRI-UHFFFAOYSA-N 0 1 382.479 3.269 20 0 GGADMN CCCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000170989092 1425425187 /nfs/dbraw/zinc/42/51/87/1425425187.db2.gz WLAGIACRSFDYRT-GHTZIAJQSA-N 0 1 389.540 3.131 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000170993522 1425426045 /nfs/dbraw/zinc/42/60/45/1425426045.db2.gz MLUAKKQXZMPXOV-UHFFFAOYSA-N 0 1 381.461 3.177 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCn2c(C)nc3ccccc32)N2CCCC2)o1 ZINC000171002374 1425431403 /nfs/dbraw/zinc/43/14/03/1425431403.db2.gz MQSIWNFIXJWJML-HXUWFJFHSA-N 0 1 395.507 3.382 20 0 GGADMN Fc1ccc(SCC[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826375737 1425431525 /nfs/dbraw/zinc/43/15/25/1425431525.db2.gz ACCJPBNYVPIEET-SFHVURJKSA-N 0 1 385.468 3.171 20 0 GGADMN Fc1ccc(SCC[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826375737 1425431529 /nfs/dbraw/zinc/43/15/29/1425431529.db2.gz ACCJPBNYVPIEET-SFHVURJKSA-N 0 1 385.468 3.171 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@H](C)c2cccnc2)CC1 ZINC000171004557 1425432400 /nfs/dbraw/zinc/43/24/00/1425432400.db2.gz QBZYDHWZXGECFS-SJORKVTESA-N 0 1 399.514 3.484 20 0 GGADMN CCOCCCCNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000171015635 1425437852 /nfs/dbraw/zinc/43/78/52/1425437852.db2.gz GIIUGQFLSGBLAP-KRWDZBQOSA-N 0 1 394.535 3.145 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)c1cccc(O)c1 ZINC000821213531 1425443886 /nfs/dbraw/zinc/44/38/86/1425443886.db2.gz DUWNOTGAQSTYHV-CQSZACIVSA-N 0 1 383.452 3.043 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612741 1425448977 /nfs/dbraw/zinc/44/89/77/1425448977.db2.gz IBWRZFUDHIDABM-UNMCSNQZSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612741 1425448981 /nfs/dbraw/zinc/44/89/81/1425448981.db2.gz IBWRZFUDHIDABM-UNMCSNQZSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612741 1425448983 /nfs/dbraw/zinc/44/89/83/1425448983.db2.gz IBWRZFUDHIDABM-UNMCSNQZSA-N 0 1 377.492 3.245 20 0 GGADMN CCCn1c2ccccc2nc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000171040894 1425451167 /nfs/dbraw/zinc/45/11/67/1425451167.db2.gz ZXHNRYANTPZGQJ-UHFFFAOYSA-N 0 1 377.452 3.439 20 0 GGADMN C[C@H]1Oc2ccc(C(=O)C3CCN(CCOc4ccccc4)CC3)cc2NC1=O ZINC000171066325 1425465237 /nfs/dbraw/zinc/46/52/37/1425465237.db2.gz JCEVYFHWMOTPPW-MRXNPFEDSA-N 0 1 394.471 3.380 20 0 GGADMN Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000171073696 1425469416 /nfs/dbraw/zinc/46/94/16/1425469416.db2.gz BIQJOTZNVVLDIV-UHFFFAOYSA-N 0 1 394.475 3.449 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000171074853 1425469569 /nfs/dbraw/zinc/46/95/69/1425469569.db2.gz YZXWFYIZSKOGFX-UHFFFAOYSA-N 0 1 380.341 3.129 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ncccc1OC(F)F ZINC000171100948 1425482223 /nfs/dbraw/zinc/48/22/23/1425482223.db2.gz HWJUFMOCJFURGJ-UHFFFAOYSA-N 0 1 392.387 3.084 20 0 GGADMN COCc1cccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000171107112 1425486082 /nfs/dbraw/zinc/48/60/82/1425486082.db2.gz XHOTYWRJEXLLCS-OAQYLSRUSA-N 0 1 388.533 3.257 20 0 GGADMN COCc1cccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000171107177 1425487208 /nfs/dbraw/zinc/48/72/08/1425487208.db2.gz UIBMPSIIQXQJBK-QGZVFWFLSA-N 0 1 394.562 3.085 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171108609 1425487743 /nfs/dbraw/zinc/48/77/43/1425487743.db2.gz HVZYTWSYBFIGPZ-KUHUBIRLSA-N 0 1 378.476 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)N1CCN(C)CC1 ZINC000171113651 1425489659 /nfs/dbraw/zinc/48/96/59/1425489659.db2.gz KHWDTKIQBMLVCD-ZDUSSCGKSA-N 0 1 399.445 3.083 20 0 GGADMN C[C@H](CNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)N1CCN(C)CC1 ZINC000171133752 1425498472 /nfs/dbraw/zinc/49/84/72/1425498472.db2.gz BEYJXRJLLATJIV-LJQANCHMSA-N 0 1 391.559 3.333 20 0 GGADMN C[C@@H](CNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)N1CCN(C)CC1 ZINC000171133747 1425498751 /nfs/dbraw/zinc/49/87/51/1425498751.db2.gz BEYJXRJLLATJIV-IBGZPJMESA-N 0 1 391.559 3.333 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000171136067 1425500347 /nfs/dbraw/zinc/50/03/47/1425500347.db2.gz CKIGEKWIAWMNBD-ZDUSSCGKSA-N 0 1 392.956 3.138 20 0 GGADMN O=C(CN1CCC[C@H](C2OCCO2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000171141493 1425504887 /nfs/dbraw/zinc/50/48/87/1425504887.db2.gz YMJVXJLKIITJJB-RXVVDRJESA-N 0 1 390.499 3.258 20 0 GGADMN CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736570425 1425506805 /nfs/dbraw/zinc/50/68/05/1425506805.db2.gz NEHLXPKZNGZDQH-HXUWFJFHSA-N 0 1 391.475 3.451 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736570425 1425506812 /nfs/dbraw/zinc/50/68/12/1425506812.db2.gz NEHLXPKZNGZDQH-HXUWFJFHSA-N 0 1 391.475 3.451 20 0 GGADMN O=C(CN1CCC[C@@H](C2OCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000171144603 1425507070 /nfs/dbraw/zinc/50/70/70/1425507070.db2.gz CWLXYHUISDWYBR-LJQANCHMSA-N 0 1 396.487 3.289 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCN(CC(C)(C)O)CC3)cs2)cc1 ZINC000171149642 1425509088 /nfs/dbraw/zinc/50/90/88/1425509088.db2.gz NPYWEHYZORTTQX-UHFFFAOYSA-N 0 1 375.538 3.097 20 0 GGADMN CC(C)(O)CN1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000171149177 1425509405 /nfs/dbraw/zinc/50/94/05/1425509405.db2.gz DQPCQEAVZFRTRP-UHFFFAOYSA-N 0 1 389.927 3.203 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCN(CC(C)(C)O)CC1 ZINC000171150595 1425510530 /nfs/dbraw/zinc/51/05/30/1425510530.db2.gz HSSIKJARMAKGKG-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN Cc1ccc(Oc2ccccc2NC(=O)CN2CCN(CC(C)(C)O)CC2)cc1 ZINC000171151637 1425511337 /nfs/dbraw/zinc/51/13/37/1425511337.db2.gz DJQVFKYYNYOKPO-UHFFFAOYSA-N 0 1 397.519 3.114 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)CN3CCN(CC(C)(C)O)CC3)cc2)c1 ZINC000171154183 1425511912 /nfs/dbraw/zinc/51/19/12/1425511912.db2.gz MHSZAGLHYUCVKK-UHFFFAOYSA-N 0 1 397.519 3.114 20 0 GGADMN CC(C)c1ccc([C@H](NC(=O)CN2CCN(CC(C)(C)O)CC2)C(C)C)cc1 ZINC000171153444 1425512106 /nfs/dbraw/zinc/51/21/06/1425512106.db2.gz OINFDVDADLFMMV-JOCHJYFZSA-N 0 1 389.584 3.012 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(CC(C)(C)O)CC1 ZINC000171154049 1425512428 /nfs/dbraw/zinc/51/24/28/1425512428.db2.gz VRNYRNSPBBULLO-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(C)(C)O)CC1 ZINC000171155218 1425513387 /nfs/dbraw/zinc/51/33/87/1425513387.db2.gz ZWECARJYROBELO-SFHVURJKSA-N 0 1 381.520 3.069 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CC(c2nc3ccccc3[nH]2)C1 ZINC000822331632 1425514183 /nfs/dbraw/zinc/51/41/83/1425514183.db2.gz IQGJCXFVAGNAQG-UHFFFAOYSA-N 0 1 382.431 3.203 20 0 GGADMN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1ccccc1F ZINC000171156982 1425515423 /nfs/dbraw/zinc/51/54/23/1425515423.db2.gz WZEXHTICPDUBMC-UHFFFAOYSA-N 0 1 381.379 3.458 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(-n2ccnn2)cc1 ZINC000171164117 1425520681 /nfs/dbraw/zinc/52/06/81/1425520681.db2.gz LJXJSKBFIJDFAM-SFHVURJKSA-N 0 1 380.452 3.209 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171165569 1425521185 /nfs/dbraw/zinc/52/11/85/1425521185.db2.gz PDTCXOFELFAPCR-WMZOPIPTSA-N 0 1 396.510 3.278 20 0 GGADMN C[C@@H](NC(=O)NC[C@H]1Cc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171165580 1425522092 /nfs/dbraw/zinc/52/20/92/1425522092.db2.gz PDTCXOFELFAPCR-SJLPKXTDSA-N 0 1 396.510 3.278 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc3nccn3c2)c1 ZINC000171170443 1425523017 /nfs/dbraw/zinc/52/30/17/1425523017.db2.gz NJSKKARDOJBGRZ-UHFFFAOYSA-N 0 1 391.475 3.401 20 0 GGADMN CC[N@H+](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)CC1CC1 ZINC000736510760 1425523658 /nfs/dbraw/zinc/52/36/58/1425523658.db2.gz JPSQPLLZYJHQGF-UHFFFAOYSA-N 0 1 399.543 3.461 20 0 GGADMN CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824072412 1425527460 /nfs/dbraw/zinc/52/74/60/1425527460.db2.gz VLYRPVBCPYVKBW-MJGOQNOKSA-N 0 1 399.470 3.123 20 0 GGADMN CC(C)CCC(=O)NCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171181362 1425528768 /nfs/dbraw/zinc/52/87/68/1425528768.db2.gz BWAIIYNOTVZMTF-QFIPXVFZSA-N 0 1 378.476 3.321 20 0 GGADMN COc1ccc([C@H](CNC(=O)CSC[C@@H]2CCCCO2)N2CCCC2)cc1 ZINC000171182552 1425529419 /nfs/dbraw/zinc/52/94/19/1425529419.db2.gz HXHRJYWUKXYTQU-PMACEKPBSA-N 0 1 392.565 3.251 20 0 GGADMN Cc1sc(=O)n(CC(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1C ZINC000171194410 1425533185 /nfs/dbraw/zinc/53/31/85/1425533185.db2.gz UVNHLZYJWCLEBH-HNNXBMFYSA-N 0 1 384.505 3.118 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1Br)c1nccs1 ZINC000824413821 1425535124 /nfs/dbraw/zinc/53/51/24/1425535124.db2.gz QAVHKFAEEMUFSD-SNVBAGLBSA-N 0 1 393.314 3.321 20 0 GGADMN CC(C)CCOCCNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171203719 1425538680 /nfs/dbraw/zinc/53/86/80/1425538680.db2.gz WLUVHPCWALIRBN-QGZVFWFLSA-N 0 1 394.535 3.000 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H](OC)C2)CC1 ZINC000171207598 1425539975 /nfs/dbraw/zinc/53/99/75/1425539975.db2.gz PDQKDTPYHUWCKV-INIZCTEOSA-N 0 1 380.920 3.125 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC2CCSCC2)CC1 ZINC000171217950 1425545031 /nfs/dbraw/zinc/54/50/31/1425545031.db2.gz QRCZKYAKBMCXRN-OAHLLOKOSA-N 0 1 394.560 3.223 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCc2nc3ccccc3[nH]2)N2CCCC2)o1 ZINC000171227728 1425550852 /nfs/dbraw/zinc/55/08/52/1425550852.db2.gz CZZNMYHJBIBHLS-GOSISDBHSA-N 0 1 381.480 3.143 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCCCNc2ccc(C)cn2)N2CCCC2)o1 ZINC000171227709 1425550879 /nfs/dbraw/zinc/55/08/79/1425550879.db2.gz BIRQYDWPMULDEN-GOSISDBHSA-N 0 1 385.512 3.230 20 0 GGADMN COC(=O)c1ccc(CN(C)C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000171228382 1425551433 /nfs/dbraw/zinc/55/14/33/1425551433.db2.gz FOEZMUBOTRGIRE-LJQANCHMSA-N 0 1 399.491 3.353 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2COc3ccccc3O2)N2CCCC2)o1 ZINC000171228936 1425551855 /nfs/dbraw/zinc/55/18/55/1425551855.db2.gz AVWOCKFLPAIMNZ-QZTJIDSGSA-N 0 1 399.491 3.206 20 0 GGADMN c1ccc(CCC[N@H+]2CCCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000738429148 1425555929 /nfs/dbraw/zinc/55/59/29/1425555929.db2.gz UOUBUDUYTMJDNA-UHFFFAOYSA-N 0 1 376.508 3.007 20 0 GGADMN c1ccc(CCC[N@@H+]2CCCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000738429148 1425555934 /nfs/dbraw/zinc/55/59/34/1425555934.db2.gz UOUBUDUYTMJDNA-UHFFFAOYSA-N 0 1 376.508 3.007 20 0 GGADMN c1ccc(CCC[N@H+]2CCCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000738429148 1425555938 /nfs/dbraw/zinc/55/59/38/1425555938.db2.gz UOUBUDUYTMJDNA-UHFFFAOYSA-N 0 1 376.508 3.007 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCCO[C@H](C)C2)CC1 ZINC000171246817 1425564798 /nfs/dbraw/zinc/56/47/98/1425564798.db2.gz QHJSFDHDXGAGJM-OAHLLOKOSA-N 0 1 380.920 3.125 20 0 GGADMN C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC3(c4ccccc4)CC3)CC2)C[C@H](C)O1 ZINC000171250690 1425568714 /nfs/dbraw/zinc/56/87/14/1425568714.db2.gz BFRANLIBKLQXFK-KDURUIRLSA-N 0 1 385.552 3.249 20 0 GGADMN Cc1cccc2c(NCc3nc(-c4ccccc4)c[nH]3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826305453 1425571075 /nfs/dbraw/zinc/57/10/75/1425571075.db2.gz XAXJSQRKBBQFBM-UHFFFAOYSA-N 0 1 382.431 3.147 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1)c1cccc(F)c1 ZINC000171261236 1425578864 /nfs/dbraw/zinc/57/88/64/1425578864.db2.gz FFUPJBQRCZJQIB-MRXNPFEDSA-N 0 1 379.382 3.121 20 0 GGADMN O=C(Nc1cccc(C(F)F)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000171271601 1425587269 /nfs/dbraw/zinc/58/72/69/1425587269.db2.gz DLLYNMFPVCUMDR-GOSISDBHSA-N 0 1 387.430 3.344 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824569597 1425592835 /nfs/dbraw/zinc/59/28/35/1425592835.db2.gz JBQYPOZGSLMCDX-MLGOLLRUSA-N 0 1 391.397 3.140 20 0 GGADMN CC(C)[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 ZINC000171289895 1425596086 /nfs/dbraw/zinc/59/60/86/1425596086.db2.gz AJPCZSBPHHDMTG-OAQYLSRUSA-N 0 1 380.536 3.280 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCCO[C@H](C)C2)N2CCCCC2)cc1 ZINC000171291098 1425597837 /nfs/dbraw/zinc/59/78/37/1425597837.db2.gz IYHABQFBFSTREL-XLIONFOSSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCCc3cccc(O)c3)cc2)C[C@H](C)O1 ZINC000171293830 1425599348 /nfs/dbraw/zinc/59/93/48/1425599348.db2.gz ANCGUMQDTXFDTN-HDICACEKSA-N 0 1 397.519 3.043 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC[C@H](c2ccccc2)CC1)N1CCN(C)CC1 ZINC000171300430 1425603085 /nfs/dbraw/zinc/60/30/85/1425603085.db2.gz LHNIMWRGZQLFSB-VXKWHMMOSA-N 0 1 386.584 3.238 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@H](c2ccccc2)CC1)N1CCN(C)CC1 ZINC000171300425 1425603327 /nfs/dbraw/zinc/60/33/27/1425603327.db2.gz LHNIMWRGZQLFSB-FCHUYYIVSA-N 0 1 386.584 3.238 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000738265895 1425616769 /nfs/dbraw/zinc/61/67/69/1425616769.db2.gz FKWQQQCVSKCQFG-OAHLLOKOSA-N 0 1 383.402 3.240 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000738265895 1425616772 /nfs/dbraw/zinc/61/67/72/1425616772.db2.gz FKWQQQCVSKCQFG-OAHLLOKOSA-N 0 1 383.402 3.240 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000738265895 1425616776 /nfs/dbraw/zinc/61/67/76/1425616776.db2.gz FKWQQQCVSKCQFG-OAHLLOKOSA-N 0 1 383.402 3.240 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000824103882 1425619224 /nfs/dbraw/zinc/61/92/24/1425619224.db2.gz KWJFIHJYFFFQMU-FUHWJXTLSA-N 0 1 398.511 3.233 20 0 GGADMN O=C(NCc1cc(-c2ccccc2)on1)NCC1(N2CCOCC2)CCCCC1 ZINC000171326974 1425619408 /nfs/dbraw/zinc/61/94/08/1425619408.db2.gz ZHUKLZHUSJRMKQ-UHFFFAOYSA-N 0 1 398.507 3.176 20 0 GGADMN Cn1cc(CCCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000171331206 1425621581 /nfs/dbraw/zinc/62/15/81/1425621581.db2.gz VKYOAQYJAFHCPI-IBGZPJMESA-N 0 1 389.931 3.142 20 0 GGADMN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1ccccc1OC(F)(F)F ZINC000171343647 1425626967 /nfs/dbraw/zinc/62/69/67/1425626967.db2.gz YNLZBJNQAQHFKM-UHFFFAOYSA-N 0 1 398.366 3.026 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293479 1425629470 /nfs/dbraw/zinc/62/94/70/1425629470.db2.gz NNVQXYQDSYTOES-UHFFFAOYSA-N 0 1 390.491 3.170 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000171346590 1425629859 /nfs/dbraw/zinc/62/98/59/1425629859.db2.gz GUIHSYNZYCQRTC-IAGOWNOFSA-N 0 1 381.561 3.403 20 0 GGADMN c1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000738425739 1425636416 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O=C(Nc1ccc(-c2cc[nH]n2)cc1)NC1CCN(Cc2ccncc2)CC1 ZINC000171799382 1425823689 /nfs/dbraw/zinc/82/36/89/1425823689.db2.gz ZRRHHKWZNZDCFN-UHFFFAOYSA-N 0 1 376.464 3.258 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000171800969 1425824183 /nfs/dbraw/zinc/82/41/83/1425824183.db2.gz KJVNTADOWCOTID-LPBBDHJYSA-N 0 1 389.761 3.278 20 0 GGADMN COc1cc(-c2nc(CN3CCC[C@@H](C4OCCO4)C3)cs2)ccc1O ZINC000171823327 1425829536 /nfs/dbraw/zinc/82/95/36/1425829536.db2.gz IGEYDPYRHVZABD-CQSZACIVSA-N 0 1 376.478 3.109 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826157973 1425831700 /nfs/dbraw/zinc/83/17/00/1425831700.db2.gz UMYSGRGQHOKDEC-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN COCC[N@H+](C)CCCC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826157973 1425831716 /nfs/dbraw/zinc/83/17/16/1425831716.db2.gz UMYSGRGQHOKDEC-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826157973 1425831733 /nfs/dbraw/zinc/83/17/33/1425831733.db2.gz UMYSGRGQHOKDEC-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN CN(CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171832875 1425831554 /nfs/dbraw/zinc/83/15/54/1425831554.db2.gz XEPXKCZTDOYQSP-ZDUSSCGKSA-N 0 1 384.320 3.179 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1nnc2ccccc2c1O ZINC000171860990 1425837101 /nfs/dbraw/zinc/83/71/01/1425837101.db2.gz IVSGXWNFKSHNTL-FQEVSTJZSA-N 0 1 395.422 3.319 20 0 GGADMN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1nnc2ccccc2c1O ZINC000171860855 1425837154 /nfs/dbraw/zinc/83/71/54/1425837154.db2.gz LQODKCHXBRVCEB-UHFFFAOYSA-N 0 1 391.456 3.385 20 0 GGADMN CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)C2 ZINC000171864952 1425838037 /nfs/dbraw/zinc/83/80/37/1425838037.db2.gz WYWOWDKQODEOEY-GOSISDBHSA-N 0 1 385.512 3.041 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000822332418 1425838388 /nfs/dbraw/zinc/83/83/88/1425838388.db2.gz POCIICHGDSAOPT-GOSISDBHSA-N 0 1 399.502 3.434 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000822332418 1425838390 /nfs/dbraw/zinc/83/83/90/1425838390.db2.gz POCIICHGDSAOPT-GOSISDBHSA-N 0 1 399.502 3.434 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000822332418 1425838393 /nfs/dbraw/zinc/83/83/93/1425838393.db2.gz POCIICHGDSAOPT-GOSISDBHSA-N 0 1 399.502 3.434 20 0 GGADMN O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1nnc2ccccc2c1O ZINC000171869385 1425838978 /nfs/dbraw/zinc/83/89/78/1425838978.db2.gz CCFHJTMINRNZBI-GOSISDBHSA-N 0 1 385.427 3.298 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C[C@@H](C)O1 ZINC000171896752 1425846950 /nfs/dbraw/zinc/84/69/50/1425846950.db2.gz ZEFMYFMXXQSROV-POAQFYNOSA-N 0 1 375.513 3.041 20 0 GGADMN COC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(F)c1 ZINC000171894787 1425846969 /nfs/dbraw/zinc/84/69/69/1425846969.db2.gz AYSRFLKUDPICCH-QGZVFWFLSA-N 0 1 377.391 3.176 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](c3ccccc3)C3CC3)n2)cc1 ZINC000171899670 1425847498 /nfs/dbraw/zinc/84/74/98/1425847498.db2.gz DYPGQTHFHAFVJX-IBGZPJMESA-N 0 1 377.448 3.431 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)n[nH]2)cc1 ZINC000171899670 1425847501 /nfs/dbraw/zinc/84/75/01/1425847501.db2.gz DYPGQTHFHAFVJX-IBGZPJMESA-N 0 1 377.448 3.431 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)Cc3ccccc3C)n2)cc1 ZINC000171902876 1425847878 /nfs/dbraw/zinc/84/78/78/1425847878.db2.gz SFDNLHDTSDQQRM-HNNXBMFYSA-N 0 1 379.464 3.219 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](C)Cc3ccccc3C)n[nH]2)cc1 ZINC000171902876 1425847879 /nfs/dbraw/zinc/84/78/79/1425847879.db2.gz SFDNLHDTSDQQRM-HNNXBMFYSA-N 0 1 379.464 3.219 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820241885 1425850358 /nfs/dbraw/zinc/85/03/58/1425850358.db2.gz JOPOPNSEQFCMLV-AWEZNQCLSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820241885 1425850364 /nfs/dbraw/zinc/85/03/64/1425850364.db2.gz JOPOPNSEQFCMLV-AWEZNQCLSA-N 0 1 397.458 3.038 20 0 GGADMN C[C@@H](CCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820241885 1425850367 /nfs/dbraw/zinc/85/03/67/1425850367.db2.gz JOPOPNSEQFCMLV-AWEZNQCLSA-N 0 1 397.458 3.038 20 0 GGADMN CCOc1ccc(CCC2CCN(CC(=O)NCc3cccnc3)CC2)cc1 ZINC000171945196 1425858665 /nfs/dbraw/zinc/85/86/65/1425858665.db2.gz RCGMVJUMMBDDPU-UHFFFAOYSA-N 0 1 381.520 3.441 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)C[C@@H](C)CC ZINC000171948790 1425859700 /nfs/dbraw/zinc/85/97/00/1425859700.db2.gz PUUXKVVLDNSNGN-HNNXBMFYSA-N 0 1 380.558 3.175 20 0 GGADMN O=C(CCCCN1CCOCC1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171952223 1425859950 /nfs/dbraw/zinc/85/99/50/1425859950.db2.gz WGJHJBAPBHZPPN-QHCPKHFHSA-N 0 1 392.503 3.271 20 0 GGADMN Cc1c(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)oc2ccc(F)cc12 ZINC000171968071 1425864235 /nfs/dbraw/zinc/86/42/35/1425864235.db2.gz IKEBFUDCJHCXFD-INIZCTEOSA-N 0 1 389.471 3.134 20 0 GGADMN CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171967442 1425864510 /nfs/dbraw/zinc/86/45/10/1425864510.db2.gz SYNJKQBFVQANOH-UHFFFAOYSA-N 0 1 394.519 3.461 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1F ZINC000171978403 1425866132 /nfs/dbraw/zinc/86/61/32/1425866132.db2.gz GBYBZZDGKFBBMI-NVXWUHKLSA-N 0 1 392.496 3.134 20 0 GGADMN O=C(NCCc1ccc2ccccc2c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000171976894 1425866218 /nfs/dbraw/zinc/86/62/18/1425866218.db2.gz SBOVVXOZFYSKFY-FQEVSTJZSA-N 0 1 381.520 3.136 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(OCC2CC2)cc1 ZINC000171984829 1425867480 /nfs/dbraw/zinc/86/74/80/1425867480.db2.gz LJTXGWRDJMQTSC-UHFFFAOYSA-N 0 1 378.432 3.110 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000172001176 1425870750 /nfs/dbraw/zinc/87/07/50/1425870750.db2.gz UDZDGKMJOXPNMU-UHFFFAOYSA-N 0 1 399.926 3.125 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(-n2ccnc2)nc1 ZINC000172016382 1425874623 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O=c1c2ccccc2ncn1CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000172243230 1425962618 /nfs/dbraw/zinc/96/26/18/1425962618.db2.gz DLFIOQZYYWFOPZ-UHFFFAOYSA-N 0 1 396.922 3.258 20 0 GGADMN O=C(CSc1ccc(F)c(F)c1)NC1CCN(Cc2cccnc2)CC1 ZINC000172244205 1425963418 /nfs/dbraw/zinc/96/34/18/1425963418.db2.gz DUFCVXLLZRLZFP-UHFFFAOYSA-N 0 1 377.460 3.233 20 0 GGADMN O=C(/C=C/c1ccccc1OC(F)F)NC1CCN(Cc2cccnc2)CC1 ZINC000172245394 1425963520 /nfs/dbraw/zinc/96/35/20/1425963520.db2.gz UHMZPADKWVNEOL-BQYQJAHWSA-N 0 1 387.430 3.477 20 0 GGADMN COc1cccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1OC(F)F ZINC000172246000 1425964286 /nfs/dbraw/zinc/96/42/86/1425964286.db2.gz WQXQJHJKFVGITC-UHFFFAOYSA-N 0 1 391.418 3.086 20 0 GGADMN CC(C)(C)n1nc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1C1CC1 ZINC000172245560 1425964492 /nfs/dbraw/zinc/96/44/92/1425964492.db2.gz KSQBDCOJQCOQRO-UHFFFAOYSA-N 0 1 381.524 3.305 20 0 GGADMN O=C(CCc1nc2ccccc2s1)NC1CCN(Cc2cccnc2)CC1 ZINC000172245793 1425964516 /nfs/dbraw/zinc/96/45/16/1425964516.db2.gz GKXCENTXMDLIMB-UHFFFAOYSA-N 0 1 380.517 3.405 20 0 GGADMN Fc1ccc(C[N@@H+]2CC=C(c3cnc4[nH]cccc3-4)CC2)cc1-c1nnn[n-]1 ZINC000822766352 1425965199 /nfs/dbraw/zinc/96/51/99/1425965199.db2.gz IBPQEGPHDVOFRJ-UHFFFAOYSA-N 0 1 375.411 3.171 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000172262620 1425973298 /nfs/dbraw/zinc/97/32/98/1425973298.db2.gz HIPADZOTDYJFLS-ROUUACIJSA-N 0 1 384.524 3.044 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)C[C@H](C)O1 ZINC000820758818 1425973633 /nfs/dbraw/zinc/97/36/33/1425973633.db2.gz DFZJWYMWYYOLDF-IYBDPMFKSA-N 0 1 378.480 3.088 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC3(C(=O)N(C)C)CCCC3)[nH]c2c1 ZINC000172272624 1425976910 /nfs/dbraw/zinc/97/69/10/1425976910.db2.gz FFSLKJICRMWSLT-SFHVURJKSA-N 0 1 397.523 3.366 20 0 GGADMN Clc1ccc2[nH+]ccc(N3CCN(c4ccccc4-c4nnn[n-]4)CC3)c2c1 ZINC000737574821 1425983135 /nfs/dbraw/zinc/98/31/35/1425983135.db2.gz UDWLNLHIBGELAU-UHFFFAOYSA-N 0 1 391.866 3.395 20 0 GGADMN CC(C)[C@@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)N1CCCC1=O ZINC000172295466 1425984958 /nfs/dbraw/zinc/98/49/58/1425984958.db2.gz BSYNHIZHQXHCNP-IBGZPJMESA-N 0 1 377.448 3.210 20 0 GGADMN CS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000172295566 1425985101 /nfs/dbraw/zinc/98/51/01/1425985101.db2.gz OMJQIGHKILCPIG-UHFFFAOYSA-N 0 1 392.440 3.281 20 0 GGADMN O=C(CCCNC(=O)c1ccco1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295395 1425985236 /nfs/dbraw/zinc/98/52/36/1425985236.db2.gz SUDBGSLKGCCCTD-UHFFFAOYSA-N 0 1 389.415 3.367 20 0 GGADMN CCC[C@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)OC(C)(C)C ZINC001139094940 1425985169 /nfs/dbraw/zinc/98/51/69/1425985169.db2.gz MCTYCSFLZIYKRE-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN CCC[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)OC(C)(C)C ZINC001139094940 1425985175 /nfs/dbraw/zinc/98/51/75/1425985175.db2.gz MCTYCSFLZIYKRE-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCCN1CCCC1 ZINC000172303712 1425988852 /nfs/dbraw/zinc/98/88/52/1425988852.db2.gz OTPXDUPEOMYBDC-UHFFFAOYSA-N 0 1 383.517 3.297 20 0 GGADMN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCCN1CCCC1 ZINC000172303117 1425989126 /nfs/dbraw/zinc/98/91/26/1425989126.db2.gz HTAOHEKDQNDOEZ-GOSISDBHSA-N 0 1 395.503 3.286 20 0 GGADMN O=C(NCCN1CCCC1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000172303347 1425989200 /nfs/dbraw/zinc/98/92/00/1425989200.db2.gz XGPMBUOJWUVGNJ-UHFFFAOYSA-N 0 1 387.867 3.283 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000172337350 1426005359 /nfs/dbraw/zinc/00/53/59/1426005359.db2.gz XKSLVARVFZUXCA-GQIGUUNPSA-N 0 1 392.519 3.243 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000172337967 1426006355 /nfs/dbraw/zinc/00/63/55/1426006355.db2.gz NDPMFZUDHBJPAB-UHFFFAOYSA-N 0 1 380.920 3.285 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)cc21 ZINC000172340138 1426006696 /nfs/dbraw/zinc/00/66/96/1426006696.db2.gz CUHRYROOKTYNLH-KRWDZBQOSA-N 0 1 385.512 3.193 20 0 GGADMN COc1ccc([C@@H]([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)C(C)C)cc1 ZINC000826188909 1426007432 /nfs/dbraw/zinc/00/74/32/1426007432.db2.gz JPWXSFJCJQJKDF-FQEVSTJZSA-N 0 1 397.479 3.250 20 0 GGADMN Cc1cccc(N2CCN(C(=O)CN[C@H](c3ncccc3C)C(C)C)CC2)c1 ZINC000172350080 1426012178 /nfs/dbraw/zinc/01/21/78/1426012178.db2.gz BRPCLZQXIXSLJV-QFIPXVFZSA-N 0 1 380.536 3.334 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000172370465 1426016911 /nfs/dbraw/zinc/01/69/11/1426016911.db2.gz MXDYKXXSOBIECR-UHFFFAOYSA-N 0 1 396.852 3.373 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCc2c(Cl)cccc2C1 ZINC000172372127 1426017360 /nfs/dbraw/zinc/01/73/60/1426017360.db2.gz GJDKQBDJXXZKLX-UHFFFAOYSA-N 0 1 384.911 3.467 20 0 GGADMN O=C(NCC1(c2cccc(F)c2)CC1)NC1CCN(Cc2ccncc2)CC1 ZINC000172372143 1426017380 /nfs/dbraw/zinc/01/73/80/1426017380.db2.gz GUMDNVYGTRFRNV-UHFFFAOYSA-N 0 1 382.483 3.216 20 0 GGADMN CC(C)(C)OC(=O)C[C@H]1CCCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824100697 1426018414 /nfs/dbraw/zinc/01/84/14/1426018414.db2.gz VVNIMPWDVVKXFV-CQSZACIVSA-N 0 1 398.511 3.089 20 0 GGADMN Cc1cc(N2CC[NH+](C)CC2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000172379728 1426019553 /nfs/dbraw/zinc/01/95/53/1426019553.db2.gz APTGDJVXMDBWBF-UHFFFAOYSA-N 0 1 396.516 3.096 20 0 GGADMN O=C(c1cccnc1Nc1ccccc1F)N1CCN(CC2CCOCC2)CC1 ZINC000172385746 1426022406 /nfs/dbraw/zinc/02/24/06/1426022406.db2.gz SREMSPMVFRGWNX-UHFFFAOYSA-N 0 1 398.482 3.149 20 0 GGADMN Cc1ccc(C(=O)NC2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)s1 ZINC000172386839 1426023227 /nfs/dbraw/zinc/02/32/27/1426023227.db2.gz WWBBWJWJARHNRI-SFHVURJKSA-N 0 1 399.516 3.276 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC=CCC2)c1 ZINC000172395495 1426025905 /nfs/dbraw/zinc/02/59/05/1426025905.db2.gz QHMJPDMCVGYYSO-MRXNPFEDSA-N 0 1 386.473 3.335 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529864 1426029540 /nfs/dbraw/zinc/02/95/40/1426029540.db2.gz IHKSOXJTFUGERI-OLZOCXBDSA-N 0 1 396.426 3.374 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172418499 1426034669 /nfs/dbraw/zinc/03/46/69/1426034669.db2.gz ILPULNCUTFBCKN-MRXNPFEDSA-N 0 1 398.469 3.455 20 0 GGADMN COCCSc1ccc([C@H](C)[NH2+]CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826163144 1426040629 /nfs/dbraw/zinc/04/06/29/1426040629.db2.gz IFFPMYOLNMSAJO-HNNXBMFYSA-N 0 1 399.520 3.335 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824619357 1426041767 /nfs/dbraw/zinc/04/17/67/1426041767.db2.gz WZBBAMBOQFKREG-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN Cc1cccc2c(NCc3ccc(OC(F)F)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737408187 1426043291 /nfs/dbraw/zinc/04/32/91/1426043291.db2.gz GXWZAFGMIBLOPY-UHFFFAOYSA-N 0 1 382.374 3.359 20 0 GGADMN Fc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826374954 1426044682 /nfs/dbraw/zinc/04/46/82/1426044682.db2.gz UCLANFAZMHSCQS-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN Fc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826374954 1426044688 /nfs/dbraw/zinc/04/46/88/1426044688.db2.gz UCLANFAZMHSCQS-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN Fc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826374954 1426044691 /nfs/dbraw/zinc/04/46/91/1426044691.db2.gz UCLANFAZMHSCQS-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172459667 1426048277 /nfs/dbraw/zinc/04/82/77/1426048277.db2.gz NVVOXYDIJZUINS-UHFFFAOYSA-N 0 1 399.560 3.227 20 0 GGADMN O=C(c1ccc(C2SCCS2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172461426 1426049910 /nfs/dbraw/zinc/04/99/10/1426049910.db2.gz RBMDABGLOKUASA-UHFFFAOYSA-N 0 1 392.590 3.350 20 0 GGADMN O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(CC2CCOCC2)CC1 ZINC000172462416 1426050000 /nfs/dbraw/zinc/05/00/00/1426050000.db2.gz GDDNDCGMOVCYDW-OALUTQOASA-N 0 1 396.453 3.380 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN(CC2CCOCC2)CC1 ZINC000172462427 1426050305 /nfs/dbraw/zinc/05/03/05/1426050305.db2.gz GDDNDCGMOVCYDW-RTBURBONSA-N 0 1 396.453 3.380 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN(CC2CCOCC2)CC1 ZINC000172462420 1426050323 /nfs/dbraw/zinc/05/03/23/1426050323.db2.gz GDDNDCGMOVCYDW-MOPGFXCFSA-N 0 1 396.453 3.380 20 0 GGADMN Cc1cccc(-c2nc(CC(=O)N3CCN(CC4CCOCC4)CC3)cs2)c1 ZINC000172463686 1426050661 /nfs/dbraw/zinc/05/06/61/1426050661.db2.gz QBWOMCGTQIJEJP-UHFFFAOYSA-N 0 1 399.560 3.232 20 0 GGADMN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(CC2CCOCC2)CC1 ZINC000172463701 1426050712 /nfs/dbraw/zinc/05/07/12/1426050712.db2.gz VFGTWGWBUULARI-UHFFFAOYSA-N 0 1 389.496 3.134 20 0 GGADMN Cc1cc(C(=O)N2CCN(CC3CCOCC3)CC2)cc(C)c1OC(F)F ZINC000172464064 1426050779 /nfs/dbraw/zinc/05/07/79/1426050779.db2.gz RZPQDGKUAYQFDX-UHFFFAOYSA-N 0 1 382.451 3.089 20 0 GGADMN COC(=O)[C@](C)(NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)C1CC1 ZINC000172465124 1426051761 /nfs/dbraw/zinc/05/17/61/1426051761.db2.gz PZJWOHLGYHMGIQ-HSZRJFAPSA-N 0 1 380.488 3.390 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCS[C@H](C)[C@@H]2C)N2CCCC2)cc1 ZINC000172467651 1426052318 /nfs/dbraw/zinc/05/23/18/1426052318.db2.gz IYHHZRZRQRCJCP-FCEWJHQRSA-N 0 1 377.554 3.368 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCS[C@@H](C)[C@@H]3C)c2C1 ZINC000172485225 1426056496 /nfs/dbraw/zinc/05/64/96/1426056496.db2.gz ZJZXOVRJBIFACA-JYJNAYRXSA-N 0 1 389.565 3.338 20 0 GGADMN CN(C)[C@@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000172498172 1426060430 /nfs/dbraw/zinc/06/04/30/1426060430.db2.gz VFVSMDWKEJHBED-INIZCTEOSA-N 0 1 381.492 3.238 20 0 GGADMN CCN(C(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000172556896 1426086080 /nfs/dbraw/zinc/08/60/80/1426086080.db2.gz WEFNAZLFKIYWOU-ROUUACIJSA-N 0 1 377.492 3.350 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172558915 1426087588 /nfs/dbraw/zinc/08/75/88/1426087588.db2.gz UMOWDGAGROYFLP-GOSISDBHSA-N 0 1 395.482 3.097 20 0 GGADMN C[C@@H]1COCCN1c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000172562362 1426089237 /nfs/dbraw/zinc/08/92/37/1426089237.db2.gz RYTNNRRWAVOKMA-OAHLLOKOSA-N 0 1 383.473 3.261 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)CCO1 ZINC000172565138 1426090507 /nfs/dbraw/zinc/09/05/07/1426090507.db2.gz KABFZLWKUGWHJS-HNNXBMFYSA-N 0 1 383.473 3.261 20 0 GGADMN Cc1ccc(OC2CC[NH+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)cc1 ZINC000737363628 1426098732 /nfs/dbraw/zinc/09/87/32/1426098732.db2.gz CJSYUJFTDWFTIZ-UHFFFAOYSA-N 0 1 388.475 3.471 20 0 GGADMN Cc1csc(=O)n1CCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587588 1426099974 /nfs/dbraw/zinc/09/99/74/1426099974.db2.gz ONCAFBNQVCQGPO-UHFFFAOYSA-N 0 1 399.560 3.121 20 0 GGADMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587463 1426100138 /nfs/dbraw/zinc/10/01/38/1426100138.db2.gz JFWNNLTTXUYVAG-ROUUACIJSA-N 0 1 385.552 3.193 20 0 GGADMN O=C(C1CCN(CCOCC(F)(F)F)CC1)N(Cc1ccccc1)C1CC1 ZINC000172587745 1426100832 /nfs/dbraw/zinc/10/08/32/1426100832.db2.gz DPLOHKYQQFXIKN-UHFFFAOYSA-N 0 1 384.442 3.469 20 0 GGADMN CCCCNC(=O)[C@@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587835 1426101291 /nfs/dbraw/zinc/10/12/91/1426101291.db2.gz BNJAMDMCIKGTEE-GOSISDBHSA-N 0 1 385.552 3.194 20 0 GGADMN CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825128635 1426105254 /nfs/dbraw/zinc/10/52/54/1426105254.db2.gz XCIRUCZZDHMXFR-INIZCTEOSA-N 0 1 385.443 3.134 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)Cc1nnc[nH]1 ZINC000172617440 1426115378 /nfs/dbraw/zinc/11/53/78/1426115378.db2.gz ZNYSZLJYLUXJLQ-UHFFFAOYSA-N 0 1 393.278 3.115 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]C[C@@H]3CCCS3)c2)c1 ZINC000823751275 1426115940 /nfs/dbraw/zinc/11/59/40/1426115940.db2.gz CYNIJZQAFDYQJA-SFHVURJKSA-N 0 1 381.505 3.431 20 0 GGADMN c1cc(C[NH2+]C2CCSCC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738409493 1426117804 /nfs/dbraw/zinc/11/78/04/1426117804.db2.gz CWVJMLRUHUQZJT-UHFFFAOYSA-N 0 1 381.505 3.431 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2nccn2C(F)F)CC1 ZINC000172629563 1426118805 /nfs/dbraw/zinc/11/88/05/1426118805.db2.gz ZOVXWHDTNDFXDQ-AWEZNQCLSA-N 0 1 381.446 3.410 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Br)c(F)c1 ZINC000821613370 1426120484 /nfs/dbraw/zinc/12/04/84/1426120484.db2.gz KIGCLNNCZHHFRN-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1S(N)(=O)=O ZINC000172635329 1426121158 /nfs/dbraw/zinc/12/11/58/1426121158.db2.gz PSTIXGWPACPQCZ-UHFFFAOYSA-N 0 1 396.428 3.031 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1C=Cc1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC000826407286 1426123279 /nfs/dbraw/zinc/12/32/79/1426123279.db2.gz HRDLKQSAUOLWJB-SQVRQVGWSA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1C=Cc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826407286 1426123282 /nfs/dbraw/zinc/12/32/82/1426123282.db2.gz HRDLKQSAUOLWJB-SQVRQVGWSA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1C=Cc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826407286 1426123286 /nfs/dbraw/zinc/12/32/86/1426123286.db2.gz HRDLKQSAUOLWJB-SQVRQVGWSA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000172663157 1426133549 /nfs/dbraw/zinc/13/35/49/1426133549.db2.gz NZUWDHACGCJXLO-FXAWDEMLSA-N 0 1 399.535 3.224 20 0 GGADMN COCc1cccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000172680971 1426140660 /nfs/dbraw/zinc/14/06/60/1426140660.db2.gz ZLAACWJNTCVKCJ-SFHVURJKSA-N 0 1 388.533 3.118 20 0 GGADMN O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000823314918 1426142640 /nfs/dbraw/zinc/14/26/40/1426142640.db2.gz UNWSHCINRLRFMN-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000823314918 1426142646 /nfs/dbraw/zinc/14/26/46/1426142646.db2.gz UNWSHCINRLRFMN-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000823314918 1426142650 /nfs/dbraw/zinc/14/26/50/1426142650.db2.gz UNWSHCINRLRFMN-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825307980 1426142664 /nfs/dbraw/zinc/14/26/64/1426142664.db2.gz SGWOXAYQHZHWLZ-UHFFFAOYSA-N 0 1 390.491 3.302 20 0 GGADMN CCC[N@H+](CC)Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825307980 1426142671 /nfs/dbraw/zinc/14/26/71/1426142671.db2.gz SGWOXAYQHZHWLZ-UHFFFAOYSA-N 0 1 390.491 3.302 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825307980 1426142676 /nfs/dbraw/zinc/14/26/76/1426142676.db2.gz SGWOXAYQHZHWLZ-UHFFFAOYSA-N 0 1 390.491 3.302 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCCN(c2nccs2)CC1 ZINC000172686310 1426142932 /nfs/dbraw/zinc/14/29/32/1426142932.db2.gz IKBHUHMNKLEOJR-LJQANCHMSA-N 0 1 384.549 3.237 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CCCO)c1ccccc1 ZINC000172689252 1426143553 /nfs/dbraw/zinc/14/35/53/1426143553.db2.gz NSJUGCQVXCPOSM-QFIPXVFZSA-N 0 1 396.535 3.382 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CN2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000172693669 1426146512 /nfs/dbraw/zinc/14/65/12/1426146512.db2.gz RPKVYBQIWJVSAG-OAHLLOKOSA-N 0 1 380.920 3.114 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2C)C1 ZINC000172722268 1426159833 /nfs/dbraw/zinc/15/98/33/1426159833.db2.gz RTFRPIHCOJPGFZ-IRXDYDNUSA-N 0 1 390.549 3.462 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1sccc1C(N)=O ZINC000172725699 1426162150 /nfs/dbraw/zinc/16/21/50/1426162150.db2.gz WAGBXMDLRZBKCM-VHSXEESVSA-N 0 1 396.310 3.287 20 0 GGADMN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(CN3CCSCC3)cc2C)C1 ZINC000172729313 1426163583 /nfs/dbraw/zinc/16/35/83/1426163583.db2.gz WZZMDFQESIPPMR-ZWKOTPCHSA-N 0 1 390.549 3.462 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(CN3CCSCC3)cc2C)C1 ZINC000172729299 1426163698 /nfs/dbraw/zinc/16/36/98/1426163698.db2.gz WZZMDFQESIPPMR-MSOLQXFVSA-N 0 1 390.549 3.462 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(NC=O)cc2)CC1 ZINC000172729200 1426163708 /nfs/dbraw/zinc/16/37/08/1426163708.db2.gz SYWDROBCLXHYGF-MRXNPFEDSA-N 0 1 398.482 3.027 20 0 GGADMN CC[C@H]([NH2+]CCCOc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCO2 ZINC000825139317 1426166249 /nfs/dbraw/zinc/16/62/49/1426166249.db2.gz DSTDXBCVPBCHSC-SFHVURJKSA-N 0 1 395.463 3.148 20 0 GGADMN Cc1c(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cccc1-c1nnn[n-]1 ZINC000822105547 1426166788 /nfs/dbraw/zinc/16/67/88/1426166788.db2.gz VHOIOIGQCBCZEI-UHFFFAOYSA-N 0 1 391.479 3.093 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680721 1426166856 /nfs/dbraw/zinc/16/68/56/1426166856.db2.gz AGUQTRUOAXSBDT-FYYLOGMGSA-N 0 1 389.503 3.270 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680721 1426166862 /nfs/dbraw/zinc/16/68/62/1426166862.db2.gz AGUQTRUOAXSBDT-FYYLOGMGSA-N 0 1 389.503 3.270 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680721 1426166867 /nfs/dbraw/zinc/16/68/67/1426166867.db2.gz AGUQTRUOAXSBDT-FYYLOGMGSA-N 0 1 389.503 3.270 20 0 GGADMN CC(C)(C)C(=O)NCc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000172746231 1426171537 /nfs/dbraw/zinc/17/15/37/1426171537.db2.gz WFRHFAWRRWWKIX-UHFFFAOYSA-N 0 1 393.531 3.137 20 0 GGADMN COc1ccc(C[NH2+]CC2(c3ccccc3C)CCOCC2)cc1-c1nn[n-]n1 ZINC000821808232 1426172853 /nfs/dbraw/zinc/17/28/53/1426172853.db2.gz CBQGPIJVBCSWIP-UHFFFAOYSA-N 0 1 393.491 3.022 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)NC[C@H](C)N2CCc3ccccc3C2)n1 ZINC000172761792 1426176196 /nfs/dbraw/zinc/17/61/96/1426176196.db2.gz TZOZLUFTWMOPHR-HNNXBMFYSA-N 0 1 376.460 3.222 20 0 GGADMN CCc1nc(CN2CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000172762115 1426176743 /nfs/dbraw/zinc/17/67/43/1426176743.db2.gz DHUXPJXKFWTHCG-INIZCTEOSA-N 0 1 394.585 3.080 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)C2CCC2)c1 ZINC000172774999 1426182594 /nfs/dbraw/zinc/18/25/94/1426182594.db2.gz HDHCHCHDBHBZSH-UHFFFAOYSA-N 0 1 388.489 3.429 20 0 GGADMN CC(=O)Nc1cccc(OCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000172774882 1426182641 /nfs/dbraw/zinc/18/26/41/1426182641.db2.gz FHDAWXCFJYCNHS-QFIPXVFZSA-N 0 1 395.503 3.195 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172779001 1426184063 /nfs/dbraw/zinc/18/40/63/1426184063.db2.gz YZCCFJXADOHAJW-HXUWFJFHSA-N 0 1 381.476 3.236 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC000824907734 1426186693 /nfs/dbraw/zinc/18/66/93/1426186693.db2.gz JRZILRDELKQNGK-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000824907734 1426186698 /nfs/dbraw/zinc/18/66/98/1426186698.db2.gz JRZILRDELKQNGK-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC000824907734 1426186703 /nfs/dbraw/zinc/18/67/03/1426186703.db2.gz JRZILRDELKQNGK-OWCLPIDISA-N 0 1 377.496 3.257 20 0 GGADMN O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737847429 1426192124 /nfs/dbraw/zinc/19/21/24/1426192124.db2.gz SANJSNIMXYHRLO-HXUWFJFHSA-N 0 1 394.454 3.465 20 0 GGADMN c1cc(OC2CC[NH+](Cc3cccc4cnccc43)CC2)cc(-c2nn[n-]n2)c1 ZINC000826517565 1426193158 /nfs/dbraw/zinc/19/31/58/1426193158.db2.gz IEMMCQYEGPLHFC-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN Cn1nc2c(cc1=O)CN(Cc1ccc(OCc3ccc(F)cc3)cc1)CC2 ZINC000172796676 1426193276 /nfs/dbraw/zinc/19/32/76/1426193276.db2.gz VRZFLKUGRYQXMQ-UHFFFAOYSA-N 0 1 379.435 3.057 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc1 ZINC000172799724 1426194653 /nfs/dbraw/zinc/19/46/53/1426194653.db2.gz SDGXWDWJLZQEKE-UHFFFAOYSA-N 0 1 377.404 3.081 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826238122 1426196005 /nfs/dbraw/zinc/19/60/05/1426196005.db2.gz WYYAOJWKMAFIGN-DZGCQCFKSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238122 1426196007 /nfs/dbraw/zinc/19/60/07/1426196007.db2.gz WYYAOJWKMAFIGN-DZGCQCFKSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238122 1426196009 /nfs/dbraw/zinc/19/60/09/1426196009.db2.gz WYYAOJWKMAFIGN-DZGCQCFKSA-N 0 1 389.935 3.314 20 0 GGADMN COc1ccc(O[C@H](C)CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc23)cc1 ZINC000821839289 1426204409 /nfs/dbraw/zinc/20/44/09/1426204409.db2.gz TUNXZNJCSVDEGK-CQSZACIVSA-N 0 1 390.447 3.033 20 0 GGADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC[C@@H]2CCCCN2C)c1 ZINC000172831232 1426208426 /nfs/dbraw/zinc/20/84/26/1426208426.db2.gz LFKGEVCWGMTEKB-AWEZNQCLSA-N 0 1 386.945 3.080 20 0 GGADMN Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826281104 1426211137 /nfs/dbraw/zinc/21/11/37/1426211137.db2.gz FCAXAHISRBLPCZ-UHFFFAOYSA-N 0 1 379.439 3.409 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000737566329 1426218806 /nfs/dbraw/zinc/21/88/06/1426218806.db2.gz ZHSUZGWCGZZALL-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN CC/C(=C\C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1 ZINC000172857213 1426223247 /nfs/dbraw/zinc/22/32/47/1426223247.db2.gz IHOODFDYUDDZEM-CAPFRKAQSA-N 0 1 378.520 3.252 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736481638 1426227514 /nfs/dbraw/zinc/22/75/14/1426227514.db2.gz RTNARWDSCLMTTO-IBGZPJMESA-N 0 1 392.463 3.104 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736481638 1426227516 /nfs/dbraw/zinc/22/75/16/1426227516.db2.gz RTNARWDSCLMTTO-IBGZPJMESA-N 0 1 392.463 3.104 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736481638 1426227526 /nfs/dbraw/zinc/22/75/26/1426227526.db2.gz RTNARWDSCLMTTO-IBGZPJMESA-N 0 1 392.463 3.104 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2nnc3ccccc3c2O)CC1 ZINC000172865444 1426228233 /nfs/dbraw/zinc/22/82/33/1426228233.db2.gz MOYUKOKASNRTGR-CQSZACIVSA-N 0 1 396.878 3.096 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822558092 1426229358 /nfs/dbraw/zinc/22/93/58/1426229358.db2.gz MKJPTLSPFSSRLT-CZUORRHYSA-N 0 1 396.520 3.362 20 0 GGADMN c1cnn(-c2ccc(CN3CCN(c4ncnc5ccsc54)CC3)cc2)c1 ZINC000172866664 1426229612 /nfs/dbraw/zinc/22/96/12/1426229612.db2.gz DQDSGEKFNPBIOQ-UHFFFAOYSA-N 0 1 376.489 3.199 20 0 GGADMN C[C@@H](C(=O)N1CC[C@H](COCc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000172869409 1426230775 /nfs/dbraw/zinc/23/07/75/1426230775.db2.gz VZRVKXRBSYWKSZ-FPOVZHCZSA-N 0 1 378.516 3.499 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826371828 1426235483 /nfs/dbraw/zinc/23/54/83/1426235483.db2.gz WCDXHRKYFMMPIV-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826371828 1426235487 /nfs/dbraw/zinc/23/54/87/1426235487.db2.gz WCDXHRKYFMMPIV-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN Cc1ccccc1O[C@H](C)CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000172886323 1426239459 /nfs/dbraw/zinc/23/94/59/1426239459.db2.gz ZYXFXABXKSAGGT-OAHLLOKOSA-N 0 1 397.500 3.341 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585128 1426240752 /nfs/dbraw/zinc/24/07/52/1426240752.db2.gz ODKNFZVLIKRWSU-UKRRQHHQSA-N 0 1 375.448 3.122 20 0 GGADMN O=S(=O)(NNc1c(F)cc(F)cc1Br)c1c(F)cccc1F ZINC000172900512 1426246728 /nfs/dbraw/zinc/24/67/28/1426246728.db2.gz BLUNIAHVCGPVQX-UHFFFAOYSA-N 0 1 399.163 3.311 20 0 GGADMN CCOc1cc(CCCNc2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)ccc1OC ZINC000736626294 1426246798 /nfs/dbraw/zinc/24/67/98/1426246798.db2.gz QYPFIQMIEYGPOT-UHFFFAOYSA-N 0 1 394.479 3.202 20 0 GGADMN Cc1cccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)C2)c1 ZINC000826297288 1426259721 /nfs/dbraw/zinc/25/97/21/1426259721.db2.gz AOSJXEHFSGNQOC-SFHVURJKSA-N 0 1 387.447 3.215 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000737246961 1426271546 /nfs/dbraw/zinc/27/15/46/1426271546.db2.gz WKVIGOUQYOEOFI-UHFFFAOYSA-N 0 1 387.488 3.126 20 0 GGADMN Fc1ccc(-c2cn(CN3CC[C@@H](CN4CCOCC4)C3)c(=S)o2)cc1 ZINC000172935622 1426273352 /nfs/dbraw/zinc/27/33/52/1426273352.db2.gz ZVCRMAUSDCEZIU-HNNXBMFYSA-N 0 1 377.485 3.228 20 0 GGADMN Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000172944592 1426278706 /nfs/dbraw/zinc/27/87/06/1426278706.db2.gz JBVFMGKQGGARMJ-LJQANCHMSA-N 0 1 379.464 3.126 20 0 GGADMN C[C@@H](c1cccnc1)N1C(=O)C[C@@H](N2CC[C@H](c3ccccc3)[C@H](C)C2)C1=O ZINC000172949389 1426280714 /nfs/dbraw/zinc/28/07/14/1426280714.db2.gz RKGSZMSTXLFJQM-SQBLYHGDSA-N 0 1 377.488 3.396 20 0 GGADMN Cc1ccc(N2C(=O)C[C@@H](N3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000172949762 1426280800 /nfs/dbraw/zinc/28/08/00/1426280800.db2.gz SCWTZQJKXFJOTJ-PZJWPPBQSA-N 0 1 378.472 3.166 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)[C@H](C)Cc1c(C)nn(C)c1C)N1CCCC1 ZINC000172953550 1426282407 /nfs/dbraw/zinc/28/24/07/1426282407.db2.gz VJRVWVFHAIMRPC-IIBYNOLFSA-N 0 1 398.551 3.177 20 0 GGADMN C[C@H](NC(=O)Cc1cc(F)ccc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000172957470 1426284143 /nfs/dbraw/zinc/28/41/43/1426284143.db2.gz HJPNUJUVGOFOIJ-AWEZNQCLSA-N 0 1 391.437 3.276 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172966844 1426287103 /nfs/dbraw/zinc/28/71/03/1426287103.db2.gz IEYXMKCXRLXKPU-OLMNPRSZSA-N 0 1 381.476 3.124 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ncoc3-c3ccc(C)cc3)CC2)c1 ZINC000172981340 1426292029 /nfs/dbraw/zinc/29/20/29/1426292029.db2.gz NTCVFILHSNNINC-UHFFFAOYSA-N 0 1 378.432 3.016 20 0 GGADMN Cc1cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1NC(=O)CC(C)C ZINC000172982841 1426293878 /nfs/dbraw/zinc/29/38/78/1426293878.db2.gz HOEFQMPQSXWWGO-LJQANCHMSA-N 0 1 389.540 3.066 20 0 GGADMN C[C@H]1C[NH+](Cc2ccccc2NCc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820759975 1426296390 /nfs/dbraw/zinc/29/63/90/1426296390.db2.gz OSYZLRAIDQUEHI-GJZGRUSLSA-N 0 1 396.470 3.227 20 0 GGADMN Fc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1-c1nn[n-]n1 ZINC000822766193 1426297433 /nfs/dbraw/zinc/29/74/33/1426297433.db2.gz FXCPCRXCRRTARG-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)N2CCCN(Cc3ccccc3)CC2)n1 ZINC000173000454 1426302736 /nfs/dbraw/zinc/30/27/36/1426302736.db2.gz OQVRAEILEOCOEW-UHFFFAOYSA-N 0 1 376.460 3.393 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3ccoc3)cc2)n[nH]1 ZINC000173025564 1426313513 /nfs/dbraw/zinc/31/35/13/1426313513.db2.gz RRNRCXBYLBNWSK-UHFFFAOYSA-N 0 1 383.408 3.342 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)c3ccoc3)cc2)n1 ZINC000173025564 1426313521 /nfs/dbraw/zinc/31/35/21/1426313521.db2.gz RRNRCXBYLBNWSK-UHFFFAOYSA-N 0 1 383.408 3.342 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc21 ZINC000173026232 1426314116 /nfs/dbraw/zinc/31/41/16/1426314116.db2.gz FQFCAAPIUYDFBB-UHFFFAOYSA-N 0 1 375.432 3.421 20 0 GGADMN CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000173026837 1426314227 /nfs/dbraw/zinc/31/42/27/1426314227.db2.gz JBKYNIYVNUBGCR-IRXDYDNUSA-N 0 1 395.912 3.158 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824545822 1426314562 /nfs/dbraw/zinc/31/45/62/1426314562.db2.gz DTFKROMWGPNCHV-MEDUHNTESA-N 0 1 375.436 3.177 20 0 GGADMN C[C@@H](CCc1ccccc1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824406622 1426321441 /nfs/dbraw/zinc/32/14/41/1426321441.db2.gz OKYHVYZMTDRSML-SFHVURJKSA-N 0 1 390.535 3.442 20 0 GGADMN CC(C)c1nc(C(=O)N2CCN(C3CCCC3)CC2)nn1-c1ccccc1F ZINC000173051645 1426323334 /nfs/dbraw/zinc/32/33/34/1426323334.db2.gz WGTISMNIUWOIKL-UHFFFAOYSA-N 0 1 385.487 3.230 20 0 GGADMN C[C@@H](C(=O)N1CCCN(C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000173054728 1426325002 /nfs/dbraw/zinc/32/50/02/1426325002.db2.gz ZZWPFZKPMQBTFD-AEFFLSMTSA-N 0 1 375.513 3.053 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cncc(C)c3)CC2)c1C ZINC000173059667 1426326593 /nfs/dbraw/zinc/32/65/93/1426326593.db2.gz WZDGSMSBDMVBAW-UHFFFAOYSA-N 0 1 382.508 3.147 20 0 GGADMN COCCN(C(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(OC)c(OC)c1 ZINC000173061817 1426327538 /nfs/dbraw/zinc/32/75/38/1426327538.db2.gz ZHAQMEBLMPWIMQ-UHFFFAOYSA-N 0 1 381.432 3.387 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3SCCc4ccccc43)n2)cc1 ZINC000173069340 1426330326 /nfs/dbraw/zinc/33/03/26/1426330326.db2.gz GZIMWHVYTNXJTR-SFHVURJKSA-N 0 1 380.473 3.127 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3SCCc4ccccc43)n[nH]2)cc1 ZINC000173069340 1426330331 /nfs/dbraw/zinc/33/03/31/1426330331.db2.gz GZIMWHVYTNXJTR-SFHVURJKSA-N 0 1 380.473 3.127 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3SCCc4ccccc43)n2)cc1 ZINC000173069347 1426330512 /nfs/dbraw/zinc/33/05/12/1426330512.db2.gz GZIMWHVYTNXJTR-GOSISDBHSA-N 0 1 380.473 3.127 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3SCCc4ccccc43)n[nH]2)cc1 ZINC000173069347 1426330517 /nfs/dbraw/zinc/33/05/17/1426330517.db2.gz GZIMWHVYTNXJTR-GOSISDBHSA-N 0 1 380.473 3.127 20 0 GGADMN CCCOc1ccc(CCC(=O)N2CCN(c3cc(OC)ccn3)CC2)cc1 ZINC000173077612 1426332996 /nfs/dbraw/zinc/33/29/96/1426332996.db2.gz IRPOLAYPJNPCFJ-UHFFFAOYSA-N 0 1 383.492 3.160 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cccc(-c4csc(C)n4)c3)CC2)c1 ZINC000173077676 1426333035 /nfs/dbraw/zinc/33/30/35/1426333035.db2.gz QPPKXSWLOWSYRY-UHFFFAOYSA-N 0 1 394.500 3.485 20 0 GGADMN COc1ccnc(N2CCN(C(=O)/C=C/c3cnc(C(C)(C)C)s3)CC2)c1 ZINC000173077604 1426333163 /nfs/dbraw/zinc/33/31/63/1426333163.db2.gz DQTYCKUIUHSJKK-AATRIKPKSA-N 0 1 386.521 3.206 20 0 GGADMN CN(C)[C@H](CNC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000173082228 1426334914 /nfs/dbraw/zinc/33/49/14/1426334914.db2.gz KRUZNGGAWCJQFW-LSDHHAIUSA-N 0 1 381.542 3.257 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)CCO2)n[nH]1 ZINC000173086391 1426336341 /nfs/dbraw/zinc/33/63/41/1426336341.db2.gz PAJLMKRKAOKLKQ-YWZLYKJASA-N 0 1 392.459 3.148 20 0 GGADMN CCCN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CC1CCOCC1 ZINC000173092407 1426338817 /nfs/dbraw/zinc/33/88/17/1426338817.db2.gz DBKAYTREMIPHSF-OAQYLSRUSA-N 0 1 394.581 3.119 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)c3csc(-c4ccc(C)cc4C)n3)CCO2)n[nH]1 ZINC000173095318 1426339316 /nfs/dbraw/zinc/33/93/16/1426339316.db2.gz RUQLJLSQGDLYJE-MRXNPFEDSA-N 0 1 397.504 3.321 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000173099657 1426341458 /nfs/dbraw/zinc/34/14/58/1426341458.db2.gz XNRSKMCLJVWJFO-MBNYWOFBSA-N 0 1 395.290 3.378 20 0 GGADMN CC(C)=CCOc1cccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000173104324 1426343926 /nfs/dbraw/zinc/34/39/26/1426343926.db2.gz LSMLEGDHHQUAQL-UHFFFAOYSA-N 0 1 381.476 3.444 20 0 GGADMN Cc1ccc(Br)cc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000173104565 1426344007 /nfs/dbraw/zinc/34/40/07/1426344007.db2.gz CTTJDCMICDHOQZ-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCOc1ccc2ccccc2c1 ZINC000173104890 1426344081 /nfs/dbraw/zinc/34/40/81/1426344081.db2.gz CMHGKOGLEZPVBW-UHFFFAOYSA-N 0 1 391.471 3.408 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000173106651 1426344768 /nfs/dbraw/zinc/34/47/68/1426344768.db2.gz VGBVIXKIHSATEO-UHFFFAOYSA-N 0 1 390.443 3.287 20 0 GGADMN CCc1ccc(-c2ccc(C(=O)N3CC[C@H](N4CCN(CC)CC4)C3)o2)cc1 ZINC000173109866 1426347150 /nfs/dbraw/zinc/34/71/50/1426347150.db2.gz NAZLXQAQQNESDH-FQEVSTJZSA-N 0 1 381.520 3.361 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cc(C4CC4)nc4ccc(F)cc43)C2)CC1 ZINC000173109662 1426347325 /nfs/dbraw/zinc/34/73/25/1426347325.db2.gz WEBXBDBQIRPGJE-SFHVURJKSA-N 0 1 396.510 3.103 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1)c1ccccc1 ZINC000173113072 1426348968 /nfs/dbraw/zinc/34/89/68/1426348968.db2.gz BMNCFSRRGGIQGT-JOCHJYFZSA-N 0 1 392.503 3.409 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000173131324 1426355292 /nfs/dbraw/zinc/35/52/92/1426355292.db2.gz OSYZBLDKXQKOMI-LEWJYISDSA-N 0 1 397.494 3.044 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000173131308 1426355313 /nfs/dbraw/zinc/35/53/13/1426355313.db2.gz OSYZBLDKXQKOMI-SFTDATJTSA-N 0 1 397.494 3.044 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccc(F)c1 ZINC000173131442 1426355331 /nfs/dbraw/zinc/35/53/31/1426355331.db2.gz CHLUKLTZTHQXKW-FQEVSTJZSA-N 0 1 383.467 3.136 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000173131548 1426355368 /nfs/dbraw/zinc/35/53/68/1426355368.db2.gz DYZRKSWLPMSANO-OAQYLSRUSA-N 0 1 397.494 3.441 20 0 GGADMN CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000824162658 1426359077 /nfs/dbraw/zinc/35/90/77/1426359077.db2.gz LIVDDCYNYQKOMS-UHFFFAOYSA-N 0 1 392.385 3.228 20 0 GGADMN COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@]34CCCc3ccccc34)CC2)c1 ZINC000173142664 1426362558 /nfs/dbraw/zinc/36/25/58/1426362558.db2.gz VRNRAHYRKSQJMW-NZQKXSOJSA-N 0 1 377.488 3.033 20 0 GGADMN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000173144831 1426363913 /nfs/dbraw/zinc/36/39/13/1426363913.db2.gz IKABFBXVXBYWCP-UHFFFAOYSA-N 0 1 385.330 3.100 20 0 GGADMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000173146086 1426364503 /nfs/dbraw/zinc/36/45/03/1426364503.db2.gz NEQHCUUCMYQEME-HNNXBMFYSA-N 0 1 386.515 3.135 20 0 GGADMN C[C@H](c1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1)[NH+]1CCOCC1 ZINC000173153237 1426367531 /nfs/dbraw/zinc/36/75/31/1426367531.db2.gz FEHAUYGADBPNBG-MRXNPFEDSA-N 0 1 392.459 3.223 20 0 GGADMN C[C@@H](c1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1)[NH+]1CCOCC1 ZINC000173153227 1426367595 /nfs/dbraw/zinc/36/75/95/1426367595.db2.gz FEHAUYGADBPNBG-INIZCTEOSA-N 0 1 392.459 3.223 20 0 GGADMN CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736402519 1426368424 /nfs/dbraw/zinc/36/84/24/1426368424.db2.gz NAEBTOPUFVMYLD-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)CC[C@H]1CCCCN1C ZINC000173157541 1426370083 /nfs/dbraw/zinc/37/00/83/1426370083.db2.gz UBVIWSXSIAHEMF-MRXNPFEDSA-N 0 1 381.542 3.207 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000173158648 1426370374 /nfs/dbraw/zinc/37/03/74/1426370374.db2.gz MTLBRFONDGWCGW-QGZVFWFLSA-N 0 1 393.553 3.255 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000173162606 1426371787 /nfs/dbraw/zinc/37/17/87/1426371787.db2.gz GBJMENRRGRVSQN-MAUKXSAKSA-N 0 1 389.471 3.204 20 0 GGADMN Nc1ccc(F)c(NC(=O)CCN2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000173176906 1426379230 /nfs/dbraw/zinc/37/92/30/1426379230.db2.gz VAIYPDWJGLNAHV-UHFFFAOYSA-N 0 1 390.890 3.208 20 0 GGADMN C[C@H](NC(=O)CCc1nc2ccccc2s1)C1(N2CCOCC2)CCCC1 ZINC000173178382 1426379799 /nfs/dbraw/zinc/37/97/99/1426379799.db2.gz OUZCFVHEGZLQGA-INIZCTEOSA-N 0 1 387.549 3.379 20 0 GGADMN C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)C1(N2CCOCC2)CCCC1 ZINC000173180402 1426380688 /nfs/dbraw/zinc/38/06/88/1426380688.db2.gz SHEQXPJJOYBQKG-SFHVURJKSA-N 0 1 397.519 3.424 20 0 GGADMN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)C1(N2CCOCC2)CCCC1 ZINC000173180411 1426380752 /nfs/dbraw/zinc/38/07/52/1426380752.db2.gz SHEQXPJJOYBQKG-GOSISDBHSA-N 0 1 397.519 3.424 20 0 GGADMN COCCOCc1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)ccc1F ZINC000173187965 1426383643 /nfs/dbraw/zinc/38/36/43/1426383643.db2.gz AGYHBPIOCGJJMS-UHFFFAOYSA-N 0 1 380.504 3.183 20 0 GGADMN CCOc1cccc([C@H](C)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)c1 ZINC000173195273 1426385998 /nfs/dbraw/zinc/38/59/98/1426385998.db2.gz DPUBQNOUZBACFB-SUMWQHHRSA-N 0 1 388.489 3.390 20 0 GGADMN COc1ccc(C[NH+]2CCC3(CC2)OCCc2ccsc23)cc1-c1nn[n-]n1 ZINC000826194373 1426386987 /nfs/dbraw/zinc/38/69/87/1426386987.db2.gz KMHZIEYEVOEINR-UHFFFAOYSA-N 0 1 397.504 3.001 20 0 GGADMN COCCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccco1 ZINC000173201077 1426390129 /nfs/dbraw/zinc/39/01/29/1426390129.db2.gz ZWNRRGVHJLSBKH-UHFFFAOYSA-N 0 1 396.871 3.427 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(-c3nnn[n-]3)cc2OC)o1 ZINC000736685085 1426390883 /nfs/dbraw/zinc/39/08/83/1426390883.db2.gz KHONBFLFVSVQLB-MRXNPFEDSA-N 0 1 383.452 3.247 20 0 GGADMN C[C@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000173206524 1426393913 /nfs/dbraw/zinc/39/39/13/1426393913.db2.gz JNHXRQFOXQHIIM-SFHVURJKSA-N 0 1 390.487 3.315 20 0 GGADMN O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173207881 1426394396 /nfs/dbraw/zinc/39/43/96/1426394396.db2.gz WASSIRZNEYCHCY-IBGZPJMESA-N 0 1 399.560 3.274 20 0 GGADMN CNC(=O)[C@H]1CCCCN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000173207255 1426394590 /nfs/dbraw/zinc/39/45/90/1426394590.db2.gz BWTLLOXPAOFSEQ-HXUWFJFHSA-N 0 1 381.476 3.408 20 0 GGADMN Cc1ccc(Oc2ccccc2NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000173210789 1426396615 /nfs/dbraw/zinc/39/66/15/1426396615.db2.gz HBIBFCKAGGTECY-GOSISDBHSA-N 0 1 391.471 3.199 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)cc2)c1 ZINC000173213141 1426397477 /nfs/dbraw/zinc/39/74/77/1426397477.db2.gz YWVWHHMHWAVSDZ-IBGZPJMESA-N 0 1 391.471 3.199 20 0 GGADMN O=C(Nc1ccc(SC2CCCC2)cc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173214775 1426397992 /nfs/dbraw/zinc/39/79/92/1426397992.db2.gz YGKHZSVTBNSFPA-KRWDZBQOSA-N 0 1 385.533 3.133 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)cc2)cc1 ZINC000173217757 1426399758 /nfs/dbraw/zinc/39/97/58/1426399758.db2.gz GALYRAVZQDBEDF-IBGZPJMESA-N 0 1 391.471 3.199 20 0 GGADMN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173221643 1426404188 /nfs/dbraw/zinc/40/41/88/1426404188.db2.gz FNIXDGDKOJQJQA-SFHVURJKSA-N 0 1 395.434 3.029 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H]1CCOC1 ZINC000825435216 1426404331 /nfs/dbraw/zinc/40/43/31/1426404331.db2.gz PWBUYLOKIHWMLL-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCOC1 ZINC000825435216 1426404333 /nfs/dbraw/zinc/40/43/33/1426404333.db2.gz PWBUYLOKIHWMLL-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCOC1 ZINC000825435216 1426404335 /nfs/dbraw/zinc/40/43/35/1426404335.db2.gz PWBUYLOKIHWMLL-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736265435 1426406437 /nfs/dbraw/zinc/40/64/37/1426406437.db2.gz APNOUBZHXJFHTE-OALUTQOASA-N 0 1 398.555 3.222 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736265435 1426406443 /nfs/dbraw/zinc/40/64/43/1426406443.db2.gz APNOUBZHXJFHTE-OALUTQOASA-N 0 1 398.555 3.222 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736265435 1426406445 /nfs/dbraw/zinc/40/64/45/1426406445.db2.gz APNOUBZHXJFHTE-OALUTQOASA-N 0 1 398.555 3.222 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3ccnn3C(C)C)ccc2NC1=O ZINC000173224502 1426409135 /nfs/dbraw/zinc/40/91/35/1426409135.db2.gz RETVHDQHVXRJLZ-KEYYUXOJSA-N 0 1 399.495 3.251 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3cccs3)ccc2NC1=O ZINC000173228527 1426413151 /nfs/dbraw/zinc/41/31/51/1426413151.db2.gz GPIIFCFYLGSLPU-GDZNZVCISA-N 0 1 387.505 3.213 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(c1c(-c3nnn[n-]3)c[nH+]c3c(C)cccc31)C2 ZINC000821670050 1426413169 /nfs/dbraw/zinc/41/31/69/1426413169.db2.gz KSLLWTQUXVXBEH-UHFFFAOYSA-N 0 1 386.415 3.030 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3ccccc3C)ccc2NC1=O ZINC000173228582 1426413464 /nfs/dbraw/zinc/41/34/64/1426413464.db2.gz JRYDBPGMGWMBDK-GUXCAODWSA-N 0 1 395.503 3.460 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3CCN(c4ccccc4F)C3=O)ccc2NC1=O ZINC000173230044 1426414185 /nfs/dbraw/zinc/41/41/85/1426414185.db2.gz OZJYWIAWGAXYJT-IRWQIABSSA-N 0 1 397.450 3.391 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H]3CCN(c4ccccc4F)C3=O)ccc2NC1=O ZINC000173230014 1426414616 /nfs/dbraw/zinc/41/46/16/1426414616.db2.gz OZJYWIAWGAXYJT-XVSDVWIESA-N 0 1 397.450 3.391 20 0 GGADMN CS[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821950081 1426421217 /nfs/dbraw/zinc/42/12/17/1426421217.db2.gz KROFYFNPUZGNRK-KOLCDFICSA-N 0 1 392.435 3.134 20 0 GGADMN Cc1cc2cc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)oc2cc1C ZINC000173237014 1426421861 /nfs/dbraw/zinc/42/18/61/1426421861.db2.gz GXHPOJGUJDMLTQ-UHFFFAOYSA-N 0 1 378.476 3.126 20 0 GGADMN CC[C@](C)(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(C)cs1 ZINC000173238133 1426422794 /nfs/dbraw/zinc/42/27/94/1426422794.db2.gz WDCSZQITWZGFEB-NRFANRHFSA-N 0 1 386.565 3.254 20 0 GGADMN CC(C)Oc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820252579 1426431438 /nfs/dbraw/zinc/43/14/38/1426431438.db2.gz CCNJUEONYKAICQ-HRAATJIYSA-N 0 1 395.507 3.298 20 0 GGADMN CC[C@H](O)CCC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820933785 1426435599 /nfs/dbraw/zinc/43/55/99/1426435599.db2.gz ZRGJRWNISSCLLE-IBGZPJMESA-N 0 1 381.480 3.086 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)C2)CC1 ZINC000173258676 1426437526 /nfs/dbraw/zinc/43/75/26/1426437526.db2.gz AGVDSJKSGHRWKT-IBGZPJMESA-N 0 1 395.507 3.118 20 0 GGADMN Cc1csc([C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C2CC2)n1 ZINC000173259134 1426437806 /nfs/dbraw/zinc/43/78/06/1426437806.db2.gz FUYBWEMEVOBYEK-HXUWFJFHSA-N 0 1 384.549 3.231 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)C2)CC1 ZINC000173258667 1426438184 /nfs/dbraw/zinc/43/81/84/1426438184.db2.gz AGVDSJKSGHRWKT-LJQANCHMSA-N 0 1 395.507 3.118 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)c2ccc(F)cc2O1 ZINC000173260805 1426439457 /nfs/dbraw/zinc/43/94/57/1426439457.db2.gz NKXRZBFWADHKQW-MRXNPFEDSA-N 0 1 383.467 3.001 20 0 GGADMN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000173264628 1426442227 /nfs/dbraw/zinc/44/22/27/1426442227.db2.gz BTMGCMPAVXPEFX-LJQANCHMSA-N 0 1 392.547 3.167 20 0 GGADMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824698953 1426443173 /nfs/dbraw/zinc/44/31/73/1426443173.db2.gz OTWJGWWMYXLUIG-OXQOHEQNSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824698953 1426443175 /nfs/dbraw/zinc/44/31/75/1426443175.db2.gz OTWJGWWMYXLUIG-OXQOHEQNSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824698953 1426443178 /nfs/dbraw/zinc/44/31/78/1426443178.db2.gz OTWJGWWMYXLUIG-OXQOHEQNSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc2ccccc2o1 ZINC000173271783 1426449756 /nfs/dbraw/zinc/44/97/56/1426449756.db2.gz PIKIQHCDXYIGLB-CVEARBPZSA-N 0 1 395.459 3.050 20 0 GGADMN COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000821903868 1426455224 /nfs/dbraw/zinc/45/52/24/1426455224.db2.gz MZOWHCXQKOMEJR-LBPRGKRZSA-N 0 1 375.523 3.455 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820914318 1426455963 /nfs/dbraw/zinc/45/59/63/1426455963.db2.gz OJMUVNSFRBSLNA-IBGZPJMESA-N 0 1 391.523 3.150 20 0 GGADMN Cc1nnc(SCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[nH]1 ZINC000173282782 1426459464 /nfs/dbraw/zinc/45/94/64/1426459464.db2.gz HLCZAYPQCVGFPM-UHFFFAOYSA-N 0 1 384.427 3.462 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)n1 ZINC000173282782 1426459487 /nfs/dbraw/zinc/45/94/87/1426459487.db2.gz HLCZAYPQCVGFPM-UHFFFAOYSA-N 0 1 384.427 3.462 20 0 GGADMN C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@@H]1c1ccccc1 ZINC000173283693 1426460618 /nfs/dbraw/zinc/46/06/18/1426460618.db2.gz MZCPSQWQTDKDGY-IRLDBZIGSA-N 0 1 392.547 3.246 20 0 GGADMN Fc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC000826374629 1426463167 /nfs/dbraw/zinc/46/31/67/1426463167.db2.gz GNWCXSZVUNWBCA-UHFFFAOYSA-N 0 1 386.862 3.418 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(N(C)C)c1 ZINC000173292217 1426471589 /nfs/dbraw/zinc/47/15/89/1426471589.db2.gz VYHPYIAPGYTGSV-UHFFFAOYSA-N 0 1 382.508 3.155 20 0 GGADMN C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820249138 1426483287 /nfs/dbraw/zinc/48/32/87/1426483287.db2.gz SFIMJSPGBBAONK-NSHDSACASA-N 0 1 376.258 3.333 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028725 1426485395 /nfs/dbraw/zinc/48/53/95/1426485395.db2.gz GTIVYWZMGATDRM-HOCLYGCPSA-N 0 1 392.891 3.256 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173305176 1426487488 /nfs/dbraw/zinc/48/74/88/1426487488.db2.gz PFZNAHZJBLWPGG-HUUCEWRRSA-N 0 1 389.521 3.307 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824545820 1426490107 /nfs/dbraw/zinc/49/01/07/1426490107.db2.gz DTFKROMWGPNCHV-BZNIZROVSA-N 0 1 375.436 3.177 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737547967 1426498393 /nfs/dbraw/zinc/49/83/93/1426498393.db2.gz MUIXSBHIKMRGAO-JLTOFOAXSA-N 0 1 384.484 3.226 20 0 GGADMN O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cn[nH]c1-c1ccccc1 ZINC000173315178 1426498977 /nfs/dbraw/zinc/49/89/77/1426498977.db2.gz WEJIACBSVUSLAC-UHFFFAOYSA-N 0 1 396.472 3.017 20 0 GGADMN CCOCc1ccc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000173315471 1426499502 /nfs/dbraw/zinc/49/95/02/1426499502.db2.gz ONJFPOGFLHHDIP-MRXNPFEDSA-N 0 1 376.522 3.324 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000824578060 1426500974 /nfs/dbraw/zinc/50/09/74/1426500974.db2.gz PWRSCMMGCXEXEQ-PXAZEXFGSA-N 0 1 382.855 3.364 20 0 GGADMN COc1ccc([C@H](C)CCNC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000173319094 1426502617 /nfs/dbraw/zinc/50/26/17/1426502617.db2.gz NJTFXFKJCLTBCD-LJQANCHMSA-N 0 1 395.547 3.366 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cc1-c1nnn[n-]1 ZINC000821803237 1426506327 /nfs/dbraw/zinc/50/63/27/1426506327.db2.gz DNGUCMQTOPBDSR-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN O[C@H](C[NH2+]CCc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681546 1426509757 /nfs/dbraw/zinc/50/97/57/1426509757.db2.gz GMXPCBHRSXSLFU-MRXNPFEDSA-N 0 1 378.263 3.039 20 0 GGADMN CC[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736400157 1426513134 /nfs/dbraw/zinc/51/31/34/1426513134.db2.gz MOGMBIFPIMZAPG-ZDUSSCGKSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736400157 1426513139 /nfs/dbraw/zinc/51/31/39/1426513139.db2.gz MOGMBIFPIMZAPG-ZDUSSCGKSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736400157 1426513145 /nfs/dbraw/zinc/51/31/45/1426513145.db2.gz MOGMBIFPIMZAPG-ZDUSSCGKSA-N 0 1 388.541 3.400 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000173332751 1426513879 /nfs/dbraw/zinc/51/38/79/1426513879.db2.gz YFZAXPNEEAEWJJ-UHFFFAOYSA-N 0 1 375.432 3.310 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000173332572 1426514350 /nfs/dbraw/zinc/51/43/50/1426514350.db2.gz IHBFWTOHIIXDJT-RXVVDRJESA-N 0 1 396.510 3.343 20 0 GGADMN Cc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)ccc1-n1cncn1 ZINC000173334011 1426515072 /nfs/dbraw/zinc/51/50/72/1426515072.db2.gz KFLZUTLYSARVAC-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN Cc1cc(-n2cncn2)ccc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000173334031 1426515379 /nfs/dbraw/zinc/51/53/79/1426515379.db2.gz RAPKCKVZANOHSY-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN C[C@@H](NCc1cccc(Cn2cccn2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173341017 1426519750 /nfs/dbraw/zinc/51/97/50/1426519750.db2.gz LINHAMKUETXSPL-QGZVFWFLSA-N 0 1 398.532 3.033 20 0 GGADMN O=C(C[NH+]1CCC2(CC2)CC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826410355 1426520301 /nfs/dbraw/zinc/52/03/01/1426520301.db2.gz KUQODXHHFMXSQV-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN COc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1OC(F)F ZINC000173341697 1426521215 /nfs/dbraw/zinc/52/12/15/1426521215.db2.gz YUJHHDVUACBDIL-UHFFFAOYSA-N 0 1 384.423 3.006 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Cl)c1 ZINC000821207238 1426522864 /nfs/dbraw/zinc/52/28/64/1426522864.db2.gz JMSPPUYJXWYPSV-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Cl)c1 ZINC000821207238 1426522870 /nfs/dbraw/zinc/52/28/70/1426522870.db2.gz JMSPPUYJXWYPSV-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1cccc(Cl)c1 ZINC000821207238 1426522878 /nfs/dbraw/zinc/52/28/78/1426522878.db2.gz JMSPPUYJXWYPSV-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN CSC1(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCOCC1 ZINC000173348712 1426526593 /nfs/dbraw/zinc/52/65/93/1426526593.db2.gz VXCRUNMYLYNLLG-INIZCTEOSA-N 0 1 381.542 3.018 20 0 GGADMN C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820561904 1426527137 /nfs/dbraw/zinc/52/71/37/1426527137.db2.gz BIWRHBUXTXSBKN-LLVKDONJSA-N 0 1 375.379 3.367 20 0 GGADMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820561904 1426527144 /nfs/dbraw/zinc/52/71/44/1426527144.db2.gz BIWRHBUXTXSBKN-LLVKDONJSA-N 0 1 375.379 3.367 20 0 GGADMN C[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N(C)Cc1ccccc1 ZINC000824426469 1426527800 /nfs/dbraw/zinc/52/78/00/1426527800.db2.gz FWWOCBYJVXWHJA-HRAATJIYSA-N 0 1 376.508 3.354 20 0 GGADMN CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C[C@@H]1CCCOC1 ZINC000173351808 1426528200 /nfs/dbraw/zinc/52/82/00/1426528200.db2.gz DQXORXVIWSZDCV-KRWDZBQOSA-N 0 1 384.524 3.467 20 0 GGADMN COc1ccc([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1OC ZINC000173351828 1426528879 /nfs/dbraw/zinc/52/88/79/1426528879.db2.gz PDADXMMTUFYKNK-JXFKEZNVSA-N 0 1 398.503 3.463 20 0 GGADMN COc1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1OC ZINC000173351842 1426528992 /nfs/dbraw/zinc/52/89/92/1426528992.db2.gz PDADXMMTUFYKNK-UZLBHIALSA-N 0 1 398.503 3.463 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000173352373 1426529713 /nfs/dbraw/zinc/52/97/13/1426529713.db2.gz XZOAGYCYFGRMDS-UHFFFAOYSA-N 0 1 385.439 3.018 20 0 GGADMN O=C(NCc1coc(-c2ccccc2)n1)NCC1(N2CCOCC2)CCCCC1 ZINC000173356655 1426531834 /nfs/dbraw/zinc/53/18/34/1426531834.db2.gz HVUXKDGQBHIEEP-UHFFFAOYSA-N 0 1 398.507 3.176 20 0 GGADMN Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](CN4CCOCC4)C3)c2)cs1 ZINC000173356993 1426532077 /nfs/dbraw/zinc/53/20/77/1426532077.db2.gz RJURXRURQRQKDI-KRWDZBQOSA-N 0 1 385.533 3.303 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2Cc3ccccc3C[C@@H]2C)N(C)C)cc1OC ZINC000173363937 1426536725 /nfs/dbraw/zinc/53/67/25/1426536725.db2.gz GROJRHZUMMNNPD-JXFKEZNVSA-N 0 1 397.519 3.463 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N([C@@H](C)C2CC2)C2CC2)N(C)C)cc1OC ZINC000173363773 1426537041 /nfs/dbraw/zinc/53/70/41/1426537041.db2.gz PUDASYFXFDRPJV-KBXCAEBGSA-N 0 1 375.513 3.279 20 0 GGADMN CC[C@H](NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C)c1ccncc1 ZINC000173363628 1426537062 /nfs/dbraw/zinc/53/70/62/1426537062.db2.gz ZKKCPZODCZBVEZ-ROUUACIJSA-N 0 1 386.496 3.152 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2Cc3ccccc3C[C@H]2C)N(C)C)cc1OC ZINC000173363922 1426537174 /nfs/dbraw/zinc/53/71/74/1426537174.db2.gz GROJRHZUMMNNPD-UZLBHIALSA-N 0 1 397.519 3.463 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@@H](CC(C)C)C2)N(C)C)cc1OC ZINC000173364290 1426538246 /nfs/dbraw/zinc/53/82/46/1426538246.db2.gz STEDVYFDFVHAIS-WMZOPIPTSA-N 0 1 377.529 3.384 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC(C(C)C)CC2)N(C)C)cc1OC ZINC000173364604 1426538462 /nfs/dbraw/zinc/53/84/62/1426538462.db2.gz CHTVCNXFYBHXSG-GOSISDBHSA-N 0 1 377.529 3.384 20 0 GGADMN C[C@@H]1C[C@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824885935 1426543289 /nfs/dbraw/zinc/54/32/89/1426543289.db2.gz VFLXSQRKWBOWND-SJLPKXTDSA-N 0 1 393.491 3.350 20 0 GGADMN CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1OC ZINC000825074613 1426546941 /nfs/dbraw/zinc/54/69/41/1426546941.db2.gz IHPQKPDHVFLXRB-AWEZNQCLSA-N 0 1 397.479 3.351 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H](C)c1cccc(OC)c1 ZINC000736535527 1426552064 /nfs/dbraw/zinc/55/20/64/1426552064.db2.gz UZHGBMKVTYBKFW-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1cccc(OC)c1 ZINC000736535527 1426552067 /nfs/dbraw/zinc/55/20/67/1426552067.db2.gz UZHGBMKVTYBKFW-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1cccc(OC)c1 ZINC000736535527 1426552070 /nfs/dbraw/zinc/55/20/70/1426552070.db2.gz UZHGBMKVTYBKFW-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN C[C@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1 ZINC000173379688 1426553432 /nfs/dbraw/zinc/55/34/32/1426553432.db2.gz DQFKKQKAPAHRIW-QGZVFWFLSA-N 0 1 391.515 3.141 20 0 GGADMN CSc1ccc([C@@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000173382760 1426556819 /nfs/dbraw/zinc/55/68/19/1426556819.db2.gz BXKHWDIXQYNVOJ-OAHLLOKOSA-N 0 1 384.549 3.356 20 0 GGADMN CSc1ccc([C@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000173382746 1426556924 /nfs/dbraw/zinc/55/69/24/1426556924.db2.gz BXKHWDIXQYNVOJ-HNNXBMFYSA-N 0 1 384.549 3.356 20 0 GGADMN COc1cccc(CN(C)C(=O)CN(CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000173388184 1426565370 /nfs/dbraw/zinc/56/53/70/1426565370.db2.gz XJHCAWUJEQAOPC-JOCHJYFZSA-N 0 1 382.504 3.026 20 0 GGADMN COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826220188 1426565932 /nfs/dbraw/zinc/56/59/32/1426565932.db2.gz FOSRFWLSXPCQSK-LSDHHAIUSA-N 0 1 396.470 3.192 20 0 GGADMN COc1cccc(CN(C)C(=O)CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000173389279 1426566520 /nfs/dbraw/zinc/56/65/20/1426566520.db2.gz YFRXNCGUZXTJOH-QFIPXVFZSA-N 0 1 382.504 3.026 20 0 GGADMN COCCOC[C@@H]1CCN(Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000173391551 1426570208 /nfs/dbraw/zinc/57/02/08/1426570208.db2.gz RYKFOUSHXAILOM-MRXNPFEDSA-N 0 1 391.471 3.190 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000173407660 1426589779 /nfs/dbraw/zinc/58/97/79/1426589779.db2.gz WNCDKIHFOOGNNU-YJBOKZPZSA-N 0 1 389.471 3.204 20 0 GGADMN CO[C@@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1 ZINC000173408070 1426591261 /nfs/dbraw/zinc/59/12/61/1426591261.db2.gz MGGYDAFBGIRKKU-MOPGFXCFSA-N 0 1 377.435 3.254 20 0 GGADMN CO[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1 ZINC000173408102 1426591862 /nfs/dbraw/zinc/59/18/62/1426591862.db2.gz MGGYDAFBGIRKKU-RTBURBONSA-N 0 1 377.435 3.254 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2coc(-c3ccccc3)n2)N(C)C)c1 ZINC000173409248 1426592258 /nfs/dbraw/zinc/59/22/58/1426592258.db2.gz YPTROYVUVCDLQV-FQEVSTJZSA-N 0 1 394.475 3.452 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H](C)Oc2ccccc2F)N(C)C)c1 ZINC000173409749 1426593348 /nfs/dbraw/zinc/59/33/48/1426593348.db2.gz XUKLLTDSWYXSFG-BEFAXECRSA-N 0 1 389.471 3.204 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)o1 ZINC000173410265 1426593522 /nfs/dbraw/zinc/59/35/22/1426593522.db2.gz JVXAPEJQJZEPIA-MOPGFXCFSA-N 0 1 389.496 3.140 20 0 GGADMN C[C@@H]1C[C@H](NCc2cc(-c3nn[n-]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000824893099 1426597455 /nfs/dbraw/zinc/59/74/55/1426597455.db2.gz PHCNFKFPXZDLNE-DNVCBOLYSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1C[C@H](NCc2cc(-c3nnn[n-]3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000824893099 1426597458 /nfs/dbraw/zinc/59/74/58/1426597458.db2.gz PHCNFKFPXZDLNE-DNVCBOLYSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1C[C@H](NCc2cc(-c3nnn[n-]3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000824893099 1426597462 /nfs/dbraw/zinc/59/74/62/1426597462.db2.gz PHCNFKFPXZDLNE-DNVCBOLYSA-N 0 1 380.471 3.149 20 0 GGADMN CSc1ccc(C[NH+]2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821978771 1426607460 /nfs/dbraw/zinc/60/74/60/1426607460.db2.gz MTQKCGCLZPANSO-UHFFFAOYSA-N 0 1 384.484 3.050 20 0 GGADMN Fc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1-c1nn[n-]n1 ZINC000826374791 1426613694 /nfs/dbraw/zinc/61/36/94/1426613694.db2.gz MKTSMWWUHWEUMM-LJQANCHMSA-N 0 1 381.411 3.018 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cc2)c(-c2nnn[n-]2)c1 ZINC000823766722 1426615509 /nfs/dbraw/zinc/61/55/09/1426615509.db2.gz IJUUKBFSAIQMKA-WOJBJXKFSA-N 0 1 393.516 3.240 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173438705 1426619284 /nfs/dbraw/zinc/61/92/84/1426619284.db2.gz CMAMZVRZLPZGIR-QZTJIDSGSA-N 0 1 383.536 3.077 20 0 GGADMN CN(C(=O)CN1CCC(CN2CCCCC2=O)CC1)[C@@H]1CCCc2ccccc21 ZINC000173439901 1426620501 /nfs/dbraw/zinc/62/05/01/1426620501.db2.gz GJOKGZZTGLZPIW-JOCHJYFZSA-N 0 1 397.563 3.247 20 0 GGADMN C[C@H](N[C@H](CCCO)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173439107 1426620924 /nfs/dbraw/zinc/62/09/24/1426620924.db2.gz SAQWDBGQVSMWTA-OXJNMPFZSA-N 0 1 376.522 3.101 20 0 GGADMN Cc1cc([C@H]([NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000826262304 1426623161 /nfs/dbraw/zinc/62/31/61/1426623161.db2.gz KZWWWSMNDSCUTD-HXUWFJFHSA-N 0 1 394.454 3.384 20 0 GGADMN Cc1ccc(OCCCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1C ZINC000173450180 1426627891 /nfs/dbraw/zinc/62/78/91/1426627891.db2.gz HOJGFSWRCQAAJC-UHFFFAOYSA-N 0 1 383.492 3.262 20 0 GGADMN COc1cc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2n1 ZINC000173449390 1426628284 /nfs/dbraw/zinc/62/82/84/1426628284.db2.gz FCSHEWQJBKPVKN-HNNXBMFYSA-N 0 1 399.516 3.345 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@@H](c2ccccc2)CO1 ZINC000173463551 1426638063 /nfs/dbraw/zinc/63/80/63/1426638063.db2.gz ZMDUKDQRGJHMTI-WMZHIEFXSA-N 0 1 393.531 3.036 20 0 GGADMN c1c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c2ccccn12 ZINC000738444943 1426641954 /nfs/dbraw/zinc/64/19/54/1426641954.db2.gz AFMIHPDHQBCODQ-INIZCTEOSA-N 0 1 388.431 3.185 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCC(C(F)(F)F)CC1 ZINC000173470020 1426645056 /nfs/dbraw/zinc/64/50/56/1426645056.db2.gz MWLNYALZMGMDAB-UHFFFAOYSA-N 0 1 385.411 3.250 20 0 GGADMN OCCCCCCCN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000173470616 1426645441 /nfs/dbraw/zinc/64/54/41/1426645441.db2.gz LGGHTDGQZIORBZ-UHFFFAOYSA-N 0 1 392.931 3.450 20 0 GGADMN CC[NH+](CC)C[C@H](C)NCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736535159 1426646994 /nfs/dbraw/zinc/64/69/94/1426646994.db2.gz UJEZKPJWYQDPDO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736535159 1426646997 /nfs/dbraw/zinc/64/69/97/1426646997.db2.gz UJEZKPJWYQDPDO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)C[C@H](C)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736535159 1426647004 /nfs/dbraw/zinc/64/70/04/1426647004.db2.gz UJEZKPJWYQDPDO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)CC1CCN(c2ccccn2)CC1 ZINC000821222627 1426651554 /nfs/dbraw/zinc/65/15/54/1426651554.db2.gz VQBVXZWGFJKVOW-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)CC1CCN(c2ccccn2)CC1 ZINC000821222627 1426651557 /nfs/dbraw/zinc/65/15/57/1426651557.db2.gz VQBVXZWGFJKVOW-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)CC1CCN(c2ccccn2)CC1 ZINC000821222627 1426651563 /nfs/dbraw/zinc/65/15/63/1426651563.db2.gz VQBVXZWGFJKVOW-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826030026 1426651802 /nfs/dbraw/zinc/65/18/02/1426651802.db2.gz ZUEGJVHPCBUWBV-ZWKOTPCHSA-N 0 1 386.862 3.194 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1-c1nn[n-]n1 ZINC000821805463 1426653395 /nfs/dbraw/zinc/65/33/95/1426653395.db2.gz UPQUFDHZUUAPOX-OAHLLOKOSA-N 0 1 378.480 3.326 20 0 GGADMN CN1C(=O)COc2ccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)cc21 ZINC000173484656 1426657970 /nfs/dbraw/zinc/65/79/70/1426657970.db2.gz WAOIECLNTRAEKQ-GOSISDBHSA-N 0 1 379.460 3.035 20 0 GGADMN Fc1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccc(-c5nnn[n-]5)o4)C3)n2)c1 ZINC000826376843 1426665940 /nfs/dbraw/zinc/66/59/40/1426665940.db2.gz VDLITNWOLWTJCC-ZDUSSCGKSA-N 0 1 395.398 3.028 20 0 GGADMN CC[C@](C)(NC[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1nccs1 ZINC000173499408 1426669038 /nfs/dbraw/zinc/66/90/38/1426669038.db2.gz GQCPMNVPFGYKJW-BEFAXECRSA-N 0 1 378.494 3.009 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)c1 ZINC000173499835 1426669087 /nfs/dbraw/zinc/66/90/87/1426669087.db2.gz ZESJVKJLYGXEPX-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN CCCC[NH+]1CCC(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CC1 ZINC000736458179 1426672678 /nfs/dbraw/zinc/67/26/78/1426672678.db2.gz WLSNGFUWFKWTFS-UHFFFAOYSA-N 0 1 399.543 3.051 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000822192897 1426672783 /nfs/dbraw/zinc/67/27/83/1426672783.db2.gz DZRIDYHGWMRUIW-WMLDXEAASA-N 0 1 383.525 3.435 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000822192897 1426672787 /nfs/dbraw/zinc/67/27/87/1426672787.db2.gz DZRIDYHGWMRUIW-WMLDXEAASA-N 0 1 383.525 3.435 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000822192897 1426672789 /nfs/dbraw/zinc/67/27/89/1426672789.db2.gz DZRIDYHGWMRUIW-WMLDXEAASA-N 0 1 383.525 3.435 20 0 GGADMN CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149355 1426677624 /nfs/dbraw/zinc/67/76/24/1426677624.db2.gz WQCACKZCWINMNM-LPHOPBHVSA-N 0 1 396.539 3.431 20 0 GGADMN CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149355 1426677628 /nfs/dbraw/zinc/67/76/28/1426677628.db2.gz WQCACKZCWINMNM-LPHOPBHVSA-N 0 1 396.539 3.431 20 0 GGADMN CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149355 1426677632 /nfs/dbraw/zinc/67/76/32/1426677632.db2.gz WQCACKZCWINMNM-LPHOPBHVSA-N 0 1 396.539 3.431 20 0 GGADMN CC[C@](C)(NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 ZINC000173508024 1426677958 /nfs/dbraw/zinc/67/79/58/1426677958.db2.gz YXRNLJBKJMZONJ-SFHVURJKSA-N 0 1 395.550 3.180 20 0 GGADMN CC[C@@](C)(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1nccs1 ZINC000173509715 1426678576 /nfs/dbraw/zinc/67/85/76/1426678576.db2.gz AFNGWWLQTBKIJC-HXUWFJFHSA-N 0 1 390.528 3.236 20 0 GGADMN CCN(CCc1ccc2c(c1)CCO2)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000173512043 1426682135 /nfs/dbraw/zinc/68/21/35/1426682135.db2.gz DUXYRJBPDZUFIY-UHFFFAOYSA-N 0 1 381.476 3.083 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000737561634 1426689041 /nfs/dbraw/zinc/68/90/41/1426689041.db2.gz GGUXAKJHNWJYAT-UHFFFAOYSA-N 0 1 397.914 3.060 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000737561634 1426689043 /nfs/dbraw/zinc/68/90/43/1426689043.db2.gz GGUXAKJHNWJYAT-UHFFFAOYSA-N 0 1 397.914 3.060 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000737561634 1426689048 /nfs/dbraw/zinc/68/90/48/1426689048.db2.gz GGUXAKJHNWJYAT-UHFFFAOYSA-N 0 1 397.914 3.060 20 0 GGADMN CC(C)OCCCNC(=O)C1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000173526480 1426700451 /nfs/dbraw/zinc/70/04/51/1426700451.db2.gz QAABGTRLELPYRJ-IBGZPJMESA-N 0 1 382.932 3.017 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823675353 1426711583 /nfs/dbraw/zinc/71/15/83/1426711583.db2.gz WGFJBORIVCRVAC-CTNGQTDRSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823675353 1426711585 /nfs/dbraw/zinc/71/15/85/1426711585.db2.gz WGFJBORIVCRVAC-CTNGQTDRSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823675353 1426711587 /nfs/dbraw/zinc/71/15/87/1426711587.db2.gz WGFJBORIVCRVAC-CTNGQTDRSA-N 0 1 393.491 3.224 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)CC2(N3CCOCC3)CCCC2)n(C)n1 ZINC000173541255 1426716111 /nfs/dbraw/zinc/71/61/11/1426716111.db2.gz JVHQGQCHHLZDJB-UHFFFAOYSA-N 0 1 382.508 3.369 20 0 GGADMN C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824599433 1426719095 /nfs/dbraw/zinc/71/90/95/1426719095.db2.gz ORQJCLVWFBRARO-GFCCVEGCSA-N 0 1 387.285 3.392 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)[nH]n1 ZINC000173545938 1426719500 /nfs/dbraw/zinc/71/95/00/1426719500.db2.gz VQGWJKMQXYKPJK-UHFFFAOYSA-N 0 1 389.463 3.388 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC(C(=O)N4CCC(C)CC4)CC3)C2=O)cc1 ZINC000173547844 1426721536 /nfs/dbraw/zinc/72/15/36/1426721536.db2.gz SHBSDRFDEQHUCM-QFIPXVFZSA-N 0 1 397.563 3.461 20 0 GGADMN Clc1cc(NCC2([NH+]3CCSCC3)CCCC2)ccc1-c1nn[n-]n1 ZINC000737565708 1426724300 /nfs/dbraw/zinc/72/43/00/1426724300.db2.gz PAVVXVOWDXQCQG-UHFFFAOYSA-N 0 1 378.933 3.294 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000826307845 1426726122 /nfs/dbraw/zinc/72/61/22/1426726122.db2.gz YSPOSMVLOGJZHW-UHFFFAOYSA-N 0 1 397.914 3.244 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000826307845 1426726123 /nfs/dbraw/zinc/72/61/23/1426726123.db2.gz YSPOSMVLOGJZHW-UHFFFAOYSA-N 0 1 397.914 3.244 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000826307845 1426726127 /nfs/dbraw/zinc/72/61/27/1426726127.db2.gz YSPOSMVLOGJZHW-UHFFFAOYSA-N 0 1 397.914 3.244 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824158599 1426726870 /nfs/dbraw/zinc/72/68/70/1426726870.db2.gz ZWNJUQBMVITVIU-INIZCTEOSA-N 0 1 386.500 3.137 20 0 GGADMN CC(C)OC(=O)[C@@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000173557831 1426729198 /nfs/dbraw/zinc/72/91/98/1426729198.db2.gz JCMGSKYVBRRKQI-HNNXBMFYSA-N 0 1 395.931 3.191 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000173558336 1426729415 /nfs/dbraw/zinc/72/94/15/1426729415.db2.gz SEHRXZIKVLKWBH-UHFFFAOYSA-N 0 1 389.931 3.154 20 0 GGADMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000173560948 1426730968 /nfs/dbraw/zinc/73/09/68/1426730968.db2.gz SQRZWGRDIVKRSM-QGZVFWFLSA-N 0 1 382.552 3.339 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000173572649 1426739540 /nfs/dbraw/zinc/73/95/40/1426739540.db2.gz CXJVPKJSFPOVCA-ROUUACIJSA-N 0 1 382.508 3.305 20 0 GGADMN COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1 ZINC000826218674 1426743403 /nfs/dbraw/zinc/74/34/03/1426743403.db2.gz INKGEPXAVIANRT-UZLBHIALSA-N 0 1 392.507 3.363 20 0 GGADMN O=C(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737875326 1426743650 /nfs/dbraw/zinc/74/36/50/1426743650.db2.gz JDGRDMNJVOWQBA-HNNXBMFYSA-N 0 1 396.882 3.023 20 0 GGADMN CCOCCCNC(=O)c1cccc(NC(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000173580807 1426745661 /nfs/dbraw/zinc/74/56/61/1426745661.db2.gz DGRMGXKKVKQFHD-UHFFFAOYSA-N 0 1 392.459 3.485 20 0 GGADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822230976 1426750020 /nfs/dbraw/zinc/75/00/20/1426750020.db2.gz WQQKDOFFNZHYES-NQIIRXRSSA-N 0 1 393.491 3.060 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(N2CCSCC2)cc1 ZINC000173587366 1426751397 /nfs/dbraw/zinc/75/13/97/1426751397.db2.gz NUKBRTHWDOEQHT-UHFFFAOYSA-N 0 1 396.560 3.420 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000173589164 1426752178 /nfs/dbraw/zinc/75/21/78/1426752178.db2.gz UYOFRFHCKPVFLH-IPMKNSEASA-N 0 1 396.362 3.335 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000173589178 1426752885 /nfs/dbraw/zinc/75/28/85/1426752885.db2.gz UYOFRFHCKPVFLH-QRVBRYPASA-N 0 1 396.362 3.335 20 0 GGADMN C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824590277 1426759788 /nfs/dbraw/zinc/75/97/88/1426759788.db2.gz AYIIBSGMHWHRMT-CQSZACIVSA-N 0 1 375.436 3.200 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000173598781 1426765147 /nfs/dbraw/zinc/76/51/47/1426765147.db2.gz QVEMYHWMPMHCAD-PZJWPPBQSA-N 0 1 391.531 3.147 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccccc3C)C2)c(-c2nnn[n-]2)c1C ZINC000737424136 1426769045 /nfs/dbraw/zinc/76/90/45/1426769045.db2.gz RWDPQIOLGLXMSQ-ZBFHGGJFSA-N 0 1 394.479 3.201 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000173601821 1426771809 /nfs/dbraw/zinc/77/18/09/1426771809.db2.gz INIPUAGUAGZRID-UWJYYQICSA-N 0 1 391.531 3.288 20 0 GGADMN CCCOc1ccc([C@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1OC ZINC000825338919 1426777242 /nfs/dbraw/zinc/77/72/42/1426777242.db2.gz JXNMQELALRKDMM-HNNXBMFYSA-N 0 1 397.479 3.394 20 0 GGADMN CC(C)[NH+](CCCNC(=O)Cn1c(-c2cccs2)n[n-]c1=S)C(C)C ZINC000173606663 1426782206 /nfs/dbraw/zinc/78/22/06/1426782206.db2.gz DLTHYKDBKJNUHR-UHFFFAOYSA-N 0 1 381.571 3.294 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000173610456 1426785530 /nfs/dbraw/zinc/78/55/30/1426785530.db2.gz WPYPXZALHGNSOR-OKILXGFUSA-N 0 1 385.430 3.353 20 0 GGADMN Clc1ccccc1C1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000737583888 1426800127 /nfs/dbraw/zinc/80/01/27/1426800127.db2.gz NFGYYTKALIEZKK-UHFFFAOYSA-N 0 1 383.883 3.358 20 0 GGADMN CN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C1CCC1 ZINC000173619211 1426800069 /nfs/dbraw/zinc/80/00/69/1426800069.db2.gz JBBVAXAQRSNIOL-UHFFFAOYSA-N 0 1 393.553 3.063 20 0 GGADMN COCCNC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1Cl ZINC000173626749 1426802051 /nfs/dbraw/zinc/80/20/51/1426802051.db2.gz HKABYRZYLMWSJY-UHFFFAOYSA-N 0 1 398.850 3.359 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000173629373 1426802848 /nfs/dbraw/zinc/80/28/48/1426802848.db2.gz UXLQQFBXUVQLOE-GFCCVEGCSA-N 0 1 376.482 3.268 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccn(CCc2ccncc2)n1)c1cccc(F)c1 ZINC000173633444 1426803802 /nfs/dbraw/zinc/80/38/02/1426803802.db2.gz OQQSMXAPADJOPA-LJQANCHMSA-N 0 1 396.470 3.084 20 0 GGADMN CC(C)(NC(=O)Nc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173647840 1426809402 /nfs/dbraw/zinc/80/94/02/1426809402.db2.gz HBKMYGBJFJZTQX-QGZVFWFLSA-N 0 1 384.480 3.133 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)c1C ZINC000173650285 1426810431 /nfs/dbraw/zinc/81/04/31/1426810431.db2.gz VDWPZFQUKQLEJB-HXUWFJFHSA-N 0 1 395.503 3.490 20 0 GGADMN CCOc1cccc(CNC(=O)CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000173652522 1426810758 /nfs/dbraw/zinc/81/07/58/1426810758.db2.gz MXGKHAIOUMWYMP-OAQYLSRUSA-N 0 1 382.504 3.240 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000173658733 1426812671 /nfs/dbraw/zinc/81/26/71/1426812671.db2.gz XTDLWVNJFITZAR-GOSISDBHSA-N 0 1 389.503 3.343 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2=O)cc1 ZINC000173663642 1426813688 /nfs/dbraw/zinc/81/36/88/1426813688.db2.gz VFXAPXXUIXMOLY-IBGZPJMESA-N 0 1 398.894 3.160 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547139 1426816229 /nfs/dbraw/zinc/81/62/29/1426816229.db2.gz MVGHYSZJBHKVOM-YXKWSERDSA-N 0 1 384.434 3.241 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)N1CCN(C)CC1 ZINC000173683379 1426820552 /nfs/dbraw/zinc/82/05/52/1426820552.db2.gz BEMOVWLEDFKFDD-HJNYFJLDSA-N 0 1 386.584 3.094 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)N1CCN(C)CC1 ZINC000173686069 1426820998 /nfs/dbraw/zinc/82/09/98/1426820998.db2.gz ZZOJSRAZWMAMJW-UIFIKXQLSA-N 0 1 390.547 3.190 20 0 GGADMN O=C(CN1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1-c1ccccc1 ZINC000173690282 1426822183 /nfs/dbraw/zinc/82/21/83/1426822183.db2.gz RZMVODWWOILVJJ-HXUWFJFHSA-N 0 1 379.504 3.089 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000173693206 1426823175 /nfs/dbraw/zinc/82/31/75/1426823175.db2.gz NMHZMYWVBHTDTI-SFHVURJKSA-N 0 1 397.519 3.033 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(OC(C)(C)C)cc3)cn2)CC1 ZINC000173695516 1426823544 /nfs/dbraw/zinc/82/35/44/1426823544.db2.gz OUVFYACJIPTGPM-UHFFFAOYSA-N 0 1 397.523 3.332 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@@H](C)Cc2ccccc2OC)c1 ZINC000173694910 1426823560 /nfs/dbraw/zinc/82/35/60/1426823560.db2.gz QQZWOJOXHVNHOH-INIZCTEOSA-N 0 1 384.476 3.292 20 0 GGADMN O=C(NCC[C@H]1C(=O)Nc2ccccc21)[C@H]1CCCCN1Cc1ccccc1 ZINC000173697348 1426824337 /nfs/dbraw/zinc/82/43/37/1426824337.db2.gz SYDTYTGIVHCNNB-TZIWHRDSSA-N 0 1 377.488 3.283 20 0 GGADMN CN(C(=O)c1cccc(C[S@](C)=O)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173699728 1426824566 /nfs/dbraw/zinc/82/45/66/1426824566.db2.gz CDBNDXXPBKRHGZ-IDISGSTGSA-N 0 1 384.545 3.302 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000737428879 1426826937 /nfs/dbraw/zinc/82/69/37/1426826937.db2.gz WTJBDSYIHFBABN-UHFFFAOYSA-N 0 1 399.502 3.354 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000173707610 1426827802 /nfs/dbraw/zinc/82/78/02/1426827802.db2.gz UKRFCEJPBMHXJJ-LJQANCHMSA-N 0 1 384.549 3.309 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)n[nH]1 ZINC000173709156 1426828092 /nfs/dbraw/zinc/82/80/92/1426828092.db2.gz YDFPAVGONIOBHX-ORAYPTAESA-N 0 1 379.464 3.029 20 0 GGADMN CN(C(=O)CSC[C@@H]1CCCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173713024 1426828903 /nfs/dbraw/zinc/82/89/03/1426828903.db2.gz NXQRZRVZHGGYHD-UXHICEINSA-N 0 1 376.566 3.412 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000173725028 1426832083 /nfs/dbraw/zinc/83/20/83/1426832083.db2.gz UXUOHPLBSKMDIJ-FQEVSTJZSA-N 0 1 382.504 3.201 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000173730960 1426833565 /nfs/dbraw/zinc/83/35/65/1426833565.db2.gz QTBKGFYYQJDFDR-HXUWFJFHSA-N 0 1 398.503 3.189 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)N2CCCC2)o1 ZINC000173747073 1426838266 /nfs/dbraw/zinc/83/82/66/1426838266.db2.gz BZTBKZWUBLOARF-SFHVURJKSA-N 0 1 382.464 3.431 20 0 GGADMN CCC(CC)c1cc(CNC(=O)N2CCN(c3cc(OC)ccn3)CC2)on1 ZINC000173749763 1426839393 /nfs/dbraw/zinc/83/93/93/1426839393.db2.gz PMJFKIJGEKFJNY-UHFFFAOYSA-N 0 1 387.484 3.014 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000173749685 1426839435 /nfs/dbraw/zinc/83/94/35/1426839435.db2.gz QVNVAKZCVXOSTH-SJORKVTESA-N 0 1 397.544 3.487 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000173750708 1426839746 /nfs/dbraw/zinc/83/97/46/1426839746.db2.gz WFSSGFYZEGFHTN-QGZVFWFLSA-N 0 1 397.544 3.441 20 0 GGADMN CN1C(=O)C[C@@H](C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)[C@@H]1c1cccnc1 ZINC000173751506 1426840203 /nfs/dbraw/zinc/84/02/03/1426840203.db2.gz ORELPSHZCDVZMK-BEFAXECRSA-N 0 1 391.475 3.414 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N(C)CCc1cccs1 ZINC000173754071 1426840388 /nfs/dbraw/zinc/84/03/88/1426840388.db2.gz GDLBDJRHFHSULZ-ZDUSSCGKSA-N 0 1 375.494 3.217 20 0 GGADMN CN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825860851 1426841060 /nfs/dbraw/zinc/84/10/60/1426841060.db2.gz YUCNYNVVMZDUDA-UHFFFAOYSA-N 0 1 395.467 3.074 20 0 GGADMN COc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804351 1426842691 /nfs/dbraw/zinc/84/26/91/1426842691.db2.gz LSKUEMJAPHHHTD-HXUWFJFHSA-N 0 1 392.507 3.192 20 0 GGADMN COc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821804351 1426842696 /nfs/dbraw/zinc/84/26/96/1426842696.db2.gz LSKUEMJAPHHHTD-HXUWFJFHSA-N 0 1 392.507 3.192 20 0 GGADMN COc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821804351 1426842705 /nfs/dbraw/zinc/84/27/05/1426842705.db2.gz LSKUEMJAPHHHTD-HXUWFJFHSA-N 0 1 392.507 3.192 20 0 GGADMN Cc1nsc(N2CCCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)n1 ZINC000173761151 1426843076 /nfs/dbraw/zinc/84/30/76/1426843076.db2.gz NKYDPAVZVQKFRV-UHFFFAOYSA-N 0 1 384.505 3.282 20 0 GGADMN CCOc1cccc2cc([C@H](C)N[C@H]3CCCN(c4cnn(C)c4)C3=O)oc21 ZINC000173765032 1426844112 /nfs/dbraw/zinc/84/41/12/1426844112.db2.gz NNXKLZFZWYTPCT-YOEHRIQHSA-N 0 1 382.464 3.411 20 0 GGADMN CCOc1cccc2cc([C@H](C)N[C@H]3CCN(c4cc(C)nn4C)C3=O)oc21 ZINC000173765161 1426844173 /nfs/dbraw/zinc/84/41/73/1426844173.db2.gz BJDICRPYWYHGPG-HOCLYGCPSA-N 0 1 382.464 3.330 20 0 GGADMN CCOc1cccc2cc([C@@H](C)N[C@H]3CCCN(c4cnn(C)c4)C3=O)oc21 ZINC000173765020 1426844254 /nfs/dbraw/zinc/84/42/54/1426844254.db2.gz NNXKLZFZWYTPCT-PBHICJAKSA-N 0 1 382.464 3.411 20 0 GGADMN Cc1ccc(C[C@H](N[C@H]2CCCN(c3ccn(C)n3)C2=O)c2ccccn2)cc1 ZINC000173777930 1426848445 /nfs/dbraw/zinc/84/84/45/1426848445.db2.gz BRAPWRYUVICBIO-SFTDATJTSA-N 0 1 389.503 3.193 20 0 GGADMN Cc1ccc(C[C@@H](N[C@@H]2CCCN(c3cnn(C)c3)C2=O)c2ccccn2)cc1 ZINC000173777979 1426848555 /nfs/dbraw/zinc/84/85/55/1426848555.db2.gz KEBUDXSYAFIZIR-FGZHOGPDSA-N 0 1 389.503 3.193 20 0 GGADMN Cc1ccc(C[C@@H](N[C@H]2CCCN(c3ccn(C)n3)C2=O)c2ccccn2)cc1 ZINC000173777941 1426848568 /nfs/dbraw/zinc/84/85/68/1426848568.db2.gz BRAPWRYUVICBIO-LEWJYISDSA-N 0 1 389.503 3.193 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1 ZINC000173784284 1426850456 /nfs/dbraw/zinc/85/04/56/1426850456.db2.gz WLNFMGFQQJAANS-UHFFFAOYSA-N 0 1 380.433 3.195 20 0 GGADMN Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)ccc1-n1cncn1 ZINC000173789311 1426851655 /nfs/dbraw/zinc/85/16/55/1426851655.db2.gz VZYIUJBBVIMMPR-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN Cc1c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cccc1N1CCNC1=O ZINC000173789333 1426851732 /nfs/dbraw/zinc/85/17/32/1426851732.db2.gz NXQBCSSVWRNZNB-UHFFFAOYSA-N 0 1 396.838 3.215 20 0 GGADMN CCN(C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)[C@H](C)c1cccc(OC)c1 ZINC000173807044 1426856517 /nfs/dbraw/zinc/85/65/17/1426856517.db2.gz YHZZNOQMBRFAEH-GFCCVEGCSA-N 0 1 383.473 3.444 20 0 GGADMN C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397861 1426859166 /nfs/dbraw/zinc/85/91/66/1426859166.db2.gz VOVPFIXWFXTMKE-MRXNPFEDSA-N 0 1 390.491 3.344 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000173817342 1426859419 /nfs/dbraw/zinc/85/94/19/1426859419.db2.gz WQRAUKRIJDRNSB-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1 ZINC000826218673 1426861984 /nfs/dbraw/zinc/86/19/84/1426861984.db2.gz INKGEPXAVIANRT-OXQOHEQNSA-N 0 1 392.507 3.363 20 0 GGADMN O=C(CN1CCC2(CCCC2)C1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000173828184 1426862286 /nfs/dbraw/zinc/86/22/86/1426862286.db2.gz KAEAFAIAINNWHO-UHFFFAOYSA-N 0 1 381.476 3.414 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CCC4(CCCC4)C3)nc2c1 ZINC000173828609 1426862783 /nfs/dbraw/zinc/86/27/83/1426862783.db2.gz IZCKFHGWJXLVNS-UHFFFAOYSA-N 0 1 390.553 3.360 20 0 GGADMN C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736254071 1426865387 /nfs/dbraw/zinc/86/53/87/1426865387.db2.gz XPUXBYVSJDZSKQ-CHWSQXEVSA-N 0 1 388.541 3.399 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000826190170 1426867736 /nfs/dbraw/zinc/86/77/36/1426867736.db2.gz RXAGXVQPEYSUKY-KRWDZBQOSA-N 0 1 395.463 3.230 20 0 GGADMN C[C@H]1CCCN1CC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820717958 1426870158 /nfs/dbraw/zinc/87/01/58/1426870158.db2.gz ZHSNTUCSDLMJAC-KRWDZBQOSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@H]1CCC[N@@H+]1CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820717958 1426870192 /nfs/dbraw/zinc/87/01/92/1426870192.db2.gz ZHSNTUCSDLMJAC-KRWDZBQOSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@H]1CCC[N@H+]1CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820717958 1426870217 /nfs/dbraw/zinc/87/02/17/1426870217.db2.gz ZHSNTUCSDLMJAC-KRWDZBQOSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@H]1CCC[N@@H+]1CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820717958 1426870242 /nfs/dbraw/zinc/87/02/42/1426870242.db2.gz ZHSNTUCSDLMJAC-KRWDZBQOSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@H]1CCC[N@H+]1CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820717958 1426870256 /nfs/dbraw/zinc/87/02/56/1426870256.db2.gz ZHSNTUCSDLMJAC-KRWDZBQOSA-N 0 1 392.507 3.020 20 0 GGADMN FC(F)(F)c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1-c1nn[n-]n1 ZINC000737632084 1426872602 /nfs/dbraw/zinc/87/26/02/1426872602.db2.gz JSOGPSILWZUJHM-CYBMUJFWSA-N 0 1 380.418 3.340 20 0 GGADMN CC(C)OC(=O)CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735892582 1426874924 /nfs/dbraw/zinc/87/49/24/1426874924.db2.gz KVKDUYOHNLWPFD-UHFFFAOYSA-N 0 1 397.454 3.350 20 0 GGADMN CC1(C)CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)CCS1 ZINC000820607113 1426875647 /nfs/dbraw/zinc/87/56/47/1426875647.db2.gz IQFYAGGRZJIWCS-UHFFFAOYSA-N 0 1 392.435 3.348 20 0 GGADMN COc1ccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c(OC)c1OC ZINC000173869247 1426876653 /nfs/dbraw/zinc/87/66/53/1426876653.db2.gz BLGRYJOELYNYMB-IBGZPJMESA-N 0 1 398.503 3.383 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000173870152 1426877207 /nfs/dbraw/zinc/87/72/07/1426877207.db2.gz IZJORQLMABGSBI-ZWKOTPCHSA-N 0 1 391.581 3.273 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cn(Cc2cccs2)nn1 ZINC000173882852 1426880730 /nfs/dbraw/zinc/88/07/30/1426880730.db2.gz CBRZRPDTCGBGSS-QGZVFWFLSA-N 0 1 394.460 3.368 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1Cn1cncn1 ZINC000173882996 1426880830 /nfs/dbraw/zinc/88/08/30/1426880830.db2.gz QVFQAYIGUCCLQW-LJQANCHMSA-N 0 1 388.431 3.307 20 0 GGADMN CCOCCN1CCN(CCOc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000173885206 1426881206 /nfs/dbraw/zinc/88/12/06/1426881206.db2.gz OOJQQHBATWTSEM-HNNXBMFYSA-N 0 1 376.419 3.007 20 0 GGADMN FC(F)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826369834 1426881287 /nfs/dbraw/zinc/88/12/87/1426881287.db2.gz SIPQKWTVCNGBMZ-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826369834 1426881295 /nfs/dbraw/zinc/88/12/95/1426881295.db2.gz SIPQKWTVCNGBMZ-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000173892501 1426883461 /nfs/dbraw/zinc/88/34/61/1426883461.db2.gz CDWWDFVYAQVCKV-HZPDHXFCSA-N 0 1 390.915 3.495 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(OC(F)(F)F)cc3)C2=O)n(C)n1 ZINC000173897939 1426884023 /nfs/dbraw/zinc/88/40/23/1426884023.db2.gz BMNBVZWAOCGXMK-SWLSCSKDSA-N 0 1 382.386 3.083 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(OC(F)(F)F)cc3)C2=O)n(C)n1 ZINC000173897925 1426884158 /nfs/dbraw/zinc/88/41/58/1426884158.db2.gz BMNBVZWAOCGXMK-WFASDCNBSA-N 0 1 382.386 3.083 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000173901335 1426885657 /nfs/dbraw/zinc/88/56/57/1426885657.db2.gz LAVYUSSYHPDAQK-HXUWFJFHSA-N 0 1 395.503 3.339 20 0 GGADMN FC(F)Oc1ccc([C@@H]2CN(Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826369954 1426886209 /nfs/dbraw/zinc/88/62/09/1426886209.db2.gz WWXRCBQQBALKPR-HNNXBMFYSA-N 0 1 393.419 3.103 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000826182034 1426887596 /nfs/dbraw/zinc/88/75/96/1426887596.db2.gz XNGZMXKFIFYINV-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)NCC(F)F ZINC000173910506 1426889188 /nfs/dbraw/zinc/88/91/88/1426889188.db2.gz QTEWMKFRJBTBDD-UHFFFAOYSA-N 0 1 388.462 3.073 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000737558536 1426889850 /nfs/dbraw/zinc/88/98/50/1426889850.db2.gz MZBISOVXAXIZLX-INIZCTEOSA-N 0 1 383.887 3.382 20 0 GGADMN COC(=O)COc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000173918106 1426891628 /nfs/dbraw/zinc/89/16/28/1426891628.db2.gz SUPBKAZFVBFNJX-HXUWFJFHSA-N 0 1 382.460 3.232 20 0 GGADMN COc1cc([C@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000173921718 1426892450 /nfs/dbraw/zinc/89/24/50/1426892450.db2.gz DXMWKTMDCAKTEZ-MAUKXSAKSA-N 0 1 384.476 3.477 20 0 GGADMN CCCCNC(=O)C1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000173923552 1426893842 /nfs/dbraw/zinc/89/38/42/1426893842.db2.gz XGDDLAORVRUQEF-OAQYLSRUSA-N 0 1 385.552 3.196 20 0 GGADMN CC[C@@](C)(NC[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000173938155 1426899868 /nfs/dbraw/zinc/89/98/68/1426899868.db2.gz LKOREWDKAHHILK-OXQOHEQNSA-N 0 1 392.521 3.317 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000173945706 1426902951 /nfs/dbraw/zinc/90/29/51/1426902951.db2.gz BLUDOUGVFJZYGT-BEFAXECRSA-N 0 1 392.496 3.134 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000173945718 1426902970 /nfs/dbraw/zinc/90/29/70/1426902970.db2.gz BLUDOUGVFJZYGT-HNAYVOBHSA-N 0 1 392.496 3.134 20 0 GGADMN C[C@H](NC1CCN(Cc2ccccn2)CC1)c1nc(Cc2ccccc2)no1 ZINC000173950738 1426906588 /nfs/dbraw/zinc/90/65/88/1426906588.db2.gz HIKAYWWJFDOHOV-KRWDZBQOSA-N 0 1 377.492 3.371 20 0 GGADMN C[C@@H](NC1CCN(Cc2ccccn2)CC1)c1nc(Cc2ccccc2)no1 ZINC000173950749 1426906867 /nfs/dbraw/zinc/90/68/67/1426906867.db2.gz HIKAYWWJFDOHOV-QGZVFWFLSA-N 0 1 377.492 3.371 20 0 GGADMN O=S(=O)(NC1(c2cccc(F)c2)CCOCC1)c1c(F)cc(F)cc1F ZINC000173956965 1426909373 /nfs/dbraw/zinc/90/93/73/1426909373.db2.gz VDFVTFXWSFIERE-UHFFFAOYSA-N 0 1 389.370 3.227 20 0 GGADMN COc1cccc(O[C@H](C)CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000173958852 1426909772 /nfs/dbraw/zinc/90/97/72/1426909772.db2.gz MJOFMPCSYUBXPA-APWZRJJASA-N 0 1 387.480 3.192 20 0 GGADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000821160819 1426910494 /nfs/dbraw/zinc/91/04/94/1426910494.db2.gz QSNFECSYHQUHKP-ZBFHGGJFSA-N 0 1 396.520 3.226 20 0 GGADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000821160819 1426910497 /nfs/dbraw/zinc/91/04/97/1426910497.db2.gz QSNFECSYHQUHKP-ZBFHGGJFSA-N 0 1 396.520 3.226 20 0 GGADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000821160819 1426910500 /nfs/dbraw/zinc/91/05/00/1426910500.db2.gz QSNFECSYHQUHKP-ZBFHGGJFSA-N 0 1 396.520 3.226 20 0 GGADMN COC(C)(C)CNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000173960449 1426910747 /nfs/dbraw/zinc/91/07/47/1426910747.db2.gz ODTBVKNBXVWIKO-UHFFFAOYSA-N 0 1 387.446 3.348 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000737294074 1426911930 /nfs/dbraw/zinc/91/19/30/1426911930.db2.gz LLWYZNSBJUIJJC-HNNXBMFYSA-N 0 1 393.495 3.426 20 0 GGADMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000173971480 1426916532 /nfs/dbraw/zinc/91/65/32/1426916532.db2.gz VBPOPHBLYDVGSV-OLZOCXBDSA-N 0 1 393.409 3.206 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@H](COCc2ccccc2)C1 ZINC000173977741 1426921869 /nfs/dbraw/zinc/92/18/69/1426921869.db2.gz SQUCWXYNIGTZRP-MJGOQNOKSA-N 0 1 396.487 3.324 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccccc1CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000173982660 1426925181 /nfs/dbraw/zinc/92/51/81/1426925181.db2.gz WFDBMCZOMOGLBZ-KRWDZBQOSA-N 0 1 386.462 3.185 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccccc1CC(F)(F)F)N1CCN(C)CC1 ZINC000173982660 1426925186 /nfs/dbraw/zinc/92/51/86/1426925186.db2.gz WFDBMCZOMOGLBZ-KRWDZBQOSA-N 0 1 386.462 3.185 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN1CC[C@H](COCc2ccccc2)C1 ZINC000173983719 1426926009 /nfs/dbraw/zinc/92/60/09/1426926009.db2.gz KMIDJXIQTPATLL-QUCCMNQESA-N 0 1 382.504 3.411 20 0 GGADMN C[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000824616925 1426927341 /nfs/dbraw/zinc/92/73/41/1426927341.db2.gz BIMYTFBNXMRIEM-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN Cc1csc([C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C2CC2)n1 ZINC000174001655 1426935333 /nfs/dbraw/zinc/93/53/33/1426935333.db2.gz IMNIAEIRTHNCQS-IBGZPJMESA-N 0 1 384.549 3.080 20 0 GGADMN O=C(CC[NH2+][C@@H](CC1CC1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826407528 1426936974 /nfs/dbraw/zinc/93/69/74/1426936974.db2.gz QKWXZEPXXKDODN-IBGZPJMESA-N 0 1 376.464 3.326 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc(C)c1F ZINC000174003948 1426937024 /nfs/dbraw/zinc/93/70/24/1426937024.db2.gz QFFXSILTOZWXBM-UHFFFAOYSA-N 0 1 391.512 3.304 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C[C@@H](C)CC[C@@H]1C ZINC000174009124 1426940662 /nfs/dbraw/zinc/94/06/62/1426940662.db2.gz FISRLCDFYPGSHW-HOTGVXAUSA-N 0 1 392.569 3.317 20 0 GGADMN O=C(Nc1ccccc1CC(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000174009807 1426941660 /nfs/dbraw/zinc/94/16/60/1426941660.db2.gz OYJIURZQYZSJJV-HNNXBMFYSA-N 0 1 385.430 3.368 20 0 GGADMN C[C@@H]1CCc2ccccc2N1CCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000174018091 1426946196 /nfs/dbraw/zinc/94/61/96/1426946196.db2.gz IGNMEGURMWJCDM-LJQANCHMSA-N 0 1 392.547 3.394 20 0 GGADMN CO[C@]1(C)C[C@H](N(C)CC(=O)N[C@H](c2nccs2)c2ccccc2)C1(C)C ZINC000174017496 1426946220 /nfs/dbraw/zinc/94/62/20/1426946220.db2.gz AJIKDJJTHZBEEY-DJPFJPOOSA-N 0 1 387.549 3.484 20 0 GGADMN O=C(C[N@H+]1CCC[C@H]1CN1CCOCC1)N(Cc1ccccc1)c1ccccc1 ZINC000174021138 1426948510 /nfs/dbraw/zinc/94/85/10/1426948510.db2.gz JDAQYHJPQUENQN-QHCPKHFHSA-N 0 1 393.531 3.016 20 0 GGADMN O=C(CN1CCC[C@H]1CN1CCOCC1)N(Cc1ccccc1)c1ccccc1 ZINC000174021138 1426948514 /nfs/dbraw/zinc/94/85/14/1426948514.db2.gz JDAQYHJPQUENQN-QHCPKHFHSA-N 0 1 393.531 3.016 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccnc2c1C ZINC000174023174 1426950114 /nfs/dbraw/zinc/95/01/14/1426950114.db2.gz AGZBEXGGJLFNOK-UHFFFAOYSA-N 0 1 390.486 3.056 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)nc1 ZINC000174026141 1426952714 /nfs/dbraw/zinc/95/27/14/1426952714.db2.gz IHJLOVCWSRJQRM-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000174034937 1426957824 /nfs/dbraw/zinc/95/78/24/1426957824.db2.gz BZGNLUVQAIHYPH-INIZCTEOSA-N 0 1 392.521 3.136 20 0 GGADMN Cc1ccnc(Oc2cc(NC(=O)N3CCN(CC(C)(C)O)CC3)ccc2C)c1 ZINC000174038884 1426962175 /nfs/dbraw/zinc/96/21/75/1426962175.db2.gz FCKPSWIZHQLJIJ-UHFFFAOYSA-N 0 1 398.507 3.411 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000174040141 1426963267 /nfs/dbraw/zinc/96/32/67/1426963267.db2.gz BPRFALRXNRDNBW-UHFFFAOYSA-N 0 1 396.466 3.186 20 0 GGADMN CC(=O)c1ccccc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000174039636 1426963506 /nfs/dbraw/zinc/96/35/06/1426963506.db2.gz DRQJLAXXMSHSCT-UHFFFAOYSA-N 0 1 393.531 3.217 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)Cc3ccccc3Cl)cc2)CC1 ZINC000174039797 1426963658 /nfs/dbraw/zinc/96/36/58/1426963658.db2.gz DIAPFTHZVOWJBC-UHFFFAOYSA-N 0 1 387.911 3.147 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1F ZINC000174040605 1426964407 /nfs/dbraw/zinc/96/44/07/1426964407.db2.gz AOZPWSMGFWERPG-KRWDZBQOSA-N 0 1 385.483 3.194 20 0 GGADMN CCCN(CCC)C(=O)c1ccc(NC(=O)CCSc2nnc(C)[nH]2)cc1 ZINC000174042022 1426965701 /nfs/dbraw/zinc/96/57/01/1426965701.db2.gz ONWRDUVWRJHVDM-UHFFFAOYSA-N 0 1 389.525 3.496 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)CC1 ZINC000174043023 1426966375 /nfs/dbraw/zinc/96/63/75/1426966375.db2.gz ZVXQFMVGEAJVTK-UHFFFAOYSA-N 0 1 391.874 3.358 20 0 GGADMN C[C@H](NS(=O)(=O)c1cccc(F)c1F)c1nc(-c2cccc(F)c2)no1 ZINC000174043808 1426966975 /nfs/dbraw/zinc/96/69/75/1426966975.db2.gz GXGFBYPAYYXFQW-VIFPVBQESA-N 0 1 383.351 3.193 20 0 GGADMN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 ZINC000174046637 1426969722 /nfs/dbraw/zinc/96/97/22/1426969722.db2.gz ASVUDNFJPTXNMD-LJQANCHMSA-N 0 1 397.519 3.027 20 0 GGADMN COc1cccc([C@@H](C)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 ZINC000174047067 1426969744 /nfs/dbraw/zinc/96/97/44/1426969744.db2.gz DLPPRUQXOBEGML-GOSISDBHSA-N 0 1 397.519 3.064 20 0 GGADMN CSc1ccsc1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174047370 1426969897 /nfs/dbraw/zinc/96/98/97/1426969897.db2.gz SHKRYBXFTHXXET-UHFFFAOYSA-N 0 1 391.562 3.349 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(C(C)C)sc3c2)cn1C ZINC000174047572 1426970066 /nfs/dbraw/zinc/97/00/66/1426970066.db2.gz QYKMHHKPOBLVTB-UHFFFAOYSA-N 0 1 393.490 3.346 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822718502 1426971545 /nfs/dbraw/zinc/97/15/45/1426971545.db2.gz KNKMKSDCELBASK-BBRMVZONSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822718502 1426971547 /nfs/dbraw/zinc/97/15/47/1426971547.db2.gz KNKMKSDCELBASK-BBRMVZONSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822718502 1426971549 /nfs/dbraw/zinc/97/15/49/1426971549.db2.gz KNKMKSDCELBASK-BBRMVZONSA-N 0 1 392.429 3.339 20 0 GGADMN CSc1nc(C2CC2)nc(C)c1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000174049960 1426971609 /nfs/dbraw/zinc/97/16/09/1426971609.db2.gz WQTSRUPGJYWDJN-UHFFFAOYSA-N 0 1 397.548 3.174 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1cn(-c2ccccc2)nn1 ZINC000824546394 1426972944 /nfs/dbraw/zinc/97/29/44/1426972944.db2.gz IMRDASURDGPMEU-IFXJQAMLSA-N 0 1 386.463 3.176 20 0 GGADMN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000174051729 1426974121 /nfs/dbraw/zinc/97/41/21/1426974121.db2.gz BKZJBNOUIBPFOI-UHFFFAOYSA-N 0 1 382.869 3.420 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000174057975 1426978100 /nfs/dbraw/zinc/97/81/00/1426978100.db2.gz UWEJLVUYYFRPBC-IBGZPJMESA-N 0 1 396.487 3.058 20 0 GGADMN Fc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)cc1 ZINC000822766485 1426978450 /nfs/dbraw/zinc/97/84/50/1426978450.db2.gz KLKCEXVASWVRTC-INIZCTEOSA-N 0 1 391.410 3.045 20 0 GGADMN C[C@@H](c1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1)[NH+]1CCOCC1 ZINC000824770054 1426981256 /nfs/dbraw/zinc/98/12/56/1426981256.db2.gz DCVPAOUUADUICF-JTQLQIEISA-N 0 1 391.888 3.113 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822595703 1426990874 /nfs/dbraw/zinc/99/08/74/1426990874.db2.gz BOIRMLMDUJRPED-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822595703 1426990881 /nfs/dbraw/zinc/99/08/81/1426990881.db2.gz BOIRMLMDUJRPED-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN CC(C)c1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n(C)n1 ZINC000174083246 1426993480 /nfs/dbraw/zinc/99/34/80/1426993480.db2.gz AUTDTLXTILUKHX-CALCHBBNSA-N 0 1 384.524 3.083 20 0 GGADMN CN(C(=O)c1cnc2ccccc2c1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174099893 1427002011 /nfs/dbraw/zinc/00/20/11/1427002011.db2.gz DHBMCPIFULWVIV-GOSISDBHSA-N 0 1 375.472 3.265 20 0 GGADMN Cc1ccc2nc(CNC(=O)CSCC(=O)Nc3cccc(C)c3)[nH]c2c1 ZINC000174099193 1427002107 /nfs/dbraw/zinc/00/21/07/1427002107.db2.gz TYHKHHKKJKNQQV-UHFFFAOYSA-N 0 1 382.489 3.168 20 0 GGADMN CN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174100267 1427002340 /nfs/dbraw/zinc/00/23/40/1427002340.db2.gz HXCZRMDTTPQSTL-FQEVSTJZSA-N 0 1 390.487 3.315 20 0 GGADMN COCCOC[C@@H]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000174109026 1427005186 /nfs/dbraw/zinc/00/51/86/1427005186.db2.gz AAVIHYOMYHZDNX-UTKZUKDTSA-N 0 1 386.467 3.490 20 0 GGADMN Cc1cccc(-c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737380166 1427009114 /nfs/dbraw/zinc/00/91/14/1427009114.db2.gz MGMBWVHLSNELIZ-OAQYLSRUSA-N 0 1 398.470 3.158 20 0 GGADMN CCCn1cc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cn1 ZINC000174117426 1427009317 /nfs/dbraw/zinc/00/93/17/1427009317.db2.gz LSJRTXKCYKEKIM-IAGOWNOFSA-N 0 1 385.512 3.224 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC000174124236 1427011463 /nfs/dbraw/zinc/01/14/63/1427011463.db2.gz FBXOYOWCWWPTSN-AVRDEDQJSA-N 0 1 396.535 3.466 20 0 GGADMN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC[C@H](C2OCCO2)C1 ZINC000174134225 1427016521 /nfs/dbraw/zinc/01/65/21/1427016521.db2.gz VILYDKBBWZLJKD-INIZCTEOSA-N 0 1 386.448 3.103 20 0 GGADMN CCCn1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cn1 ZINC000174146583 1427020323 /nfs/dbraw/zinc/02/03/23/1427020323.db2.gz GPSQRFZTQNRYGD-HNNXBMFYSA-N 0 1 388.491 3.067 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[C@H](O)C1)N1CCCCC1 ZINC000174158570 1427025376 /nfs/dbraw/zinc/02/53/76/1427025376.db2.gz LFTXZFOLQIKZJV-BJLQDIEVSA-N 0 1 389.540 3.073 20 0 GGADMN CO[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(F)cc1 ZINC000174159961 1427026248 /nfs/dbraw/zinc/02/62/48/1427026248.db2.gz DVJRBUXYXBIQJH-OALUTQOASA-N 0 1 377.435 3.254 20 0 GGADMN COC(=O)c1ccsc1N1CC[C@@H](N[C@H](c2ncccc2C)C(C)C)C1=O ZINC000174161297 1427027119 /nfs/dbraw/zinc/02/71/19/1427027119.db2.gz WACARBOLRYKYOZ-CVEARBPZSA-N 0 1 387.505 3.330 20 0 GGADMN COC(=O)c1ccsc1N1CC[C@@H](N[C@@H](c2ncccc2C)C(C)C)C1=O ZINC000174161280 1427027438 /nfs/dbraw/zinc/02/74/38/1427027438.db2.gz WACARBOLRYKYOZ-HZPDHXFCSA-N 0 1 387.505 3.330 20 0 GGADMN COc1c(F)cc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1F ZINC000174169586 1427030605 /nfs/dbraw/zinc/03/06/05/1427030605.db2.gz LAGDJZBJENQBNM-UHFFFAOYSA-N 0 1 375.419 3.124 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2NCc2cc(-c3nnn[n-]3)ccc2F)C[C@H](C)O1 ZINC000820759176 1427031300 /nfs/dbraw/zinc/03/13/00/1427031300.db2.gz IIRYEDVGOYLHBO-GASCZTMLSA-N 0 1 396.470 3.227 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NCc2cc(-c3nnn[n-]3)ccc2F)C[C@H](C)O1 ZINC000820759176 1427031303 /nfs/dbraw/zinc/03/13/03/1427031303.db2.gz IIRYEDVGOYLHBO-GASCZTMLSA-N 0 1 396.470 3.227 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000174172253 1427032143 /nfs/dbraw/zinc/03/21/43/1427032143.db2.gz OGFLLIGLFMXRII-UHFFFAOYSA-N 0 1 381.383 3.148 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000174177575 1427034582 /nfs/dbraw/zinc/03/45/82/1427034582.db2.gz LZBSOERBLAQIJK-NLWGTHIKSA-N 0 1 399.535 3.185 20 0 GGADMN CC(C)(C(=O)N1CC[C@H](CN2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000174177528 1427034849 /nfs/dbraw/zinc/03/48/49/1427034849.db2.gz OBJJDLIIJNYYLS-OAHLLOKOSA-N 0 1 384.442 3.164 20 0 GGADMN C/C(=C\C(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000174178359 1427035534 /nfs/dbraw/zinc/03/55/34/1427035534.db2.gz MBKHWNGYZVUNSN-ASNKMWSDSA-N 0 1 382.426 3.289 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000826176314 1427038484 /nfs/dbraw/zinc/03/84/84/1427038484.db2.gz KCKPWXJPDXJOOE-GOSISDBHSA-N 0 1 379.464 3.385 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H](O)c1ccc(F)cc1 ZINC000824261566 1427039060 /nfs/dbraw/zinc/03/90/60/1427039060.db2.gz MWDUKIJUKLTGTQ-INIZCTEOSA-N 0 1 375.473 3.259 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1cn(-c2ccccc2)nn1 ZINC000824546396 1427039725 /nfs/dbraw/zinc/03/97/25/1427039725.db2.gz IMRDASURDGPMEU-LIRRHRJNSA-N 0 1 386.463 3.176 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[nH]1 ZINC000174193509 1427043447 /nfs/dbraw/zinc/04/34/47/1427043447.db2.gz GLYCDOFLBMWQRX-UHFFFAOYSA-N 0 1 391.840 3.343 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)n1 ZINC000174193509 1427043454 /nfs/dbraw/zinc/04/34/54/1427043454.db2.gz GLYCDOFLBMWQRX-UHFFFAOYSA-N 0 1 391.840 3.343 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[C@@H](CC(C)C)C1 ZINC000174195180 1427044271 /nfs/dbraw/zinc/04/42/71/1427044271.db2.gz ZMNOIODICZUTKW-INIZCTEOSA-N 0 1 392.569 3.175 20 0 GGADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000174199111 1427046163 /nfs/dbraw/zinc/04/61/63/1427046163.db2.gz ACCBMEZVNQOPQN-BUXKBTBVSA-N 0 1 385.430 3.059 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000174200843 1427046827 /nfs/dbraw/zinc/04/68/27/1427046827.db2.gz VSMWZGGVAPBRAW-UHFFFAOYSA-N 0 1 392.912 3.370 20 0 GGADMN O=C(CCCOc1cccc2ccccc21)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174210523 1427052472 /nfs/dbraw/zinc/05/24/72/1427052472.db2.gz AIAYXXIBFPOETB-IBGZPJMESA-N 0 1 382.504 3.180 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(OC)cc1 ZINC000174210789 1427052795 /nfs/dbraw/zinc/05/27/95/1427052795.db2.gz FDCQELWUFYMRDH-UHFFFAOYSA-N 0 1 384.480 3.490 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(Oc4ccccc4)ccn3)cn2)CC1 ZINC000174210933 1427053441 /nfs/dbraw/zinc/05/34/41/1427053441.db2.gz XQANXBRCSUVXAN-UHFFFAOYSA-N 0 1 389.459 3.273 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)n1 ZINC000174213625 1427054623 /nfs/dbraw/zinc/05/46/23/1427054623.db2.gz GHQSHYZUIFIVMV-GFCCVEGCSA-N 0 1 382.395 3.467 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)N2CCCC2)o1 ZINC000174226448 1427059475 /nfs/dbraw/zinc/05/94/75/1427059475.db2.gz RYUAKSVEDUAISJ-FHWLQOOXSA-N 0 1 385.512 3.405 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@H]1c1ccccc1 ZINC000174228753 1427059904 /nfs/dbraw/zinc/05/99/04/1427059904.db2.gz UPFCPCLMYQMPRP-WMLDXEAASA-N 0 1 393.512 3.488 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@H]1c1ccccc1 ZINC000174228744 1427060220 /nfs/dbraw/zinc/06/02/20/1427060220.db2.gz UPFCPCLMYQMPRP-RHSMWYFYSA-N 0 1 393.512 3.488 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](C)COc2ccccc2C(F)(F)F)[nH]1 ZINC000174243169 1427066158 /nfs/dbraw/zinc/06/61/58/1427066158.db2.gz ONFDYKGIEDNFHE-SNVBAGLBSA-N 0 1 388.415 3.198 20 0 GGADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819933442 1427067068 /nfs/dbraw/zinc/06/70/68/1427067068.db2.gz ROQMQHBSBBJNLE-AYHJJNSGSA-N 0 1 398.511 3.277 20 0 GGADMN C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000174253175 1427071673 /nfs/dbraw/zinc/07/16/73/1427071673.db2.gz DWSLFIAMECIASX-IBGZPJMESA-N 0 1 381.520 3.478 20 0 GGADMN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000174258615 1427073484 /nfs/dbraw/zinc/07/34/84/1427073484.db2.gz QEGLEXXBYDAQPU-UHFFFAOYSA-N 0 1 379.445 3.179 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1c(F)cc(F)cc1F ZINC000174263709 1427075063 /nfs/dbraw/zinc/07/50/63/1427075063.db2.gz ZPWMEMJRJIHYKT-UHFFFAOYSA-N 0 1 392.425 3.438 20 0 GGADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)C1=CCCCO1 ZINC000174264357 1427075145 /nfs/dbraw/zinc/07/51/45/1427075145.db2.gz PVFVIWLMDXMQSG-UHFFFAOYSA-N 0 1 378.476 3.037 20 0 GGADMN CC(C)OCc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000174264172 1427075198 /nfs/dbraw/zinc/07/51/98/1427075198.db2.gz ROBLUAQFEPXSMU-UHFFFAOYSA-N 0 1 382.508 3.157 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCC2(CCCC2)C1 ZINC000174265176 1427075878 /nfs/dbraw/zinc/07/58/78/1427075878.db2.gz QVNSEHPDJJBKKI-UHFFFAOYSA-N 0 1 397.441 3.368 20 0 GGADMN CN(C)c1cccc([C@H]2CCC[N@H+]2CCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736780589 1427075912 /nfs/dbraw/zinc/07/59/12/1427075912.db2.gz RIJXOXFNOLQJPE-HXUWFJFHSA-N 0 1 378.480 3.149 20 0 GGADMN Cc1c2cc(F)ccc2oc1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000174285810 1427085664 /nfs/dbraw/zinc/08/56/64/1427085664.db2.gz GGUTYLPSCKJLEC-UHFFFAOYSA-N 0 1 396.466 3.104 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cccc(COCC2CC2)c1 ZINC000174296171 1427090266 /nfs/dbraw/zinc/09/02/66/1427090266.db2.gz VXNOXPIQDHAAQR-UHFFFAOYSA-N 0 1 394.519 3.159 20 0 GGADMN Cc1cc(CNCCS(=O)(=O)NCc2ccccc2)c(OC(F)F)cc1C ZINC000174309380 1427095541 /nfs/dbraw/zinc/09/55/41/1427095541.db2.gz QYOAQHHVXSVGMG-UHFFFAOYSA-N 0 1 398.475 3.114 20 0 GGADMN O=C(Nc1cccc(CC(F)(F)F)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000174321308 1427101124 /nfs/dbraw/zinc/10/11/24/1427101124.db2.gz WUWQWUVREBDLDA-INIZCTEOSA-N 0 1 385.430 3.368 20 0 GGADMN O=C(c1cc(Oc2ccccc2)ccn1)N1CCN(CC2CCOCC2)CC1 ZINC000174324872 1427101856 /nfs/dbraw/zinc/10/18/56/1427101856.db2.gz PGYIKZJJQIQQFJ-UHFFFAOYSA-N 0 1 381.476 3.058 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O ZINC000174327282 1427103323 /nfs/dbraw/zinc/10/33/23/1427103323.db2.gz XADPAWDBWUEWPS-PBHICJAKSA-N 0 1 399.491 3.341 20 0 GGADMN CC(C)(C)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 ZINC000174339668 1427109644 /nfs/dbraw/zinc/10/96/44/1427109644.db2.gz UQTBZJQYSGCEGH-UHFFFAOYSA-N 0 1 394.537 3.075 20 0 GGADMN Cc1ccccc1[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)[C@@H](C)CO1 ZINC000174345720 1427112853 /nfs/dbraw/zinc/11/28/53/1427112853.db2.gz BOIMCEYVSNRPEL-SCLBCKFNSA-N 0 1 395.484 3.122 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000174349281 1427114554 /nfs/dbraw/zinc/11/45/54/1427114554.db2.gz SJEIVZXFKCLEBN-ROUUACIJSA-N 0 1 398.594 3.415 20 0 GGADMN O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000174358279 1427118066 /nfs/dbraw/zinc/11/80/66/1427118066.db2.gz ZEJWAOUVQYJUSJ-DLBZAZTESA-N 0 1 386.521 3.025 20 0 GGADMN CC(C)Cc1ncc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000824280222 1427122581 /nfs/dbraw/zinc/12/25/81/1427122581.db2.gz HCZDWLSTEKGWJA-UHFFFAOYSA-N 0 1 397.552 3.234 20 0 GGADMN Cc1nnc(-c2cccc(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)c2)o1 ZINC000174384041 1427131567 /nfs/dbraw/zinc/13/15/67/1427131567.db2.gz QLCVTPUGORSASF-UHFFFAOYSA-N 0 1 377.408 3.038 20 0 GGADMN Clc1nsc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC000822590132 1427135389 /nfs/dbraw/zinc/13/53/89/1427135389.db2.gz IVPFJWWAHVWFRY-LBPRGKRZSA-N 0 1 381.937 3.069 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000174400177 1427139213 /nfs/dbraw/zinc/13/92/13/1427139213.db2.gz HCRPEPLIUGGNKD-KGLIPLIRSA-N 0 1 391.562 3.208 20 0 GGADMN O=C(NCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cccs1 ZINC000174406806 1427144084 /nfs/dbraw/zinc/14/40/84/1427144084.db2.gz YSZGFFCXGQNNDQ-MRXNPFEDSA-N 0 1 394.924 3.479 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(CN3CCSCC3)ccc2C)C1 ZINC000174430685 1427153502 /nfs/dbraw/zinc/15/35/02/1427153502.db2.gz XUEVZUHTNHTJDQ-MSOLQXFVSA-N 0 1 390.549 3.462 20 0 GGADMN CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cccc4c[nH]nc43)CC2)cs1 ZINC000174432700 1427154407 /nfs/dbraw/zinc/15/44/07/1427154407.db2.gz XRDUUXLSFABZHF-AWEZNQCLSA-N 0 1 399.520 3.075 20 0 GGADMN COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2F)cc1OC ZINC000826179990 1427156538 /nfs/dbraw/zinc/15/65/38/1427156538.db2.gz NZQOWLCHZFXZCF-SNVBAGLBSA-N 0 1 375.379 3.013 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000821818673 1427158336 /nfs/dbraw/zinc/15/83/36/1427158336.db2.gz XJSKRNXTSXQOOG-UHFFFAOYSA-N 0 1 393.369 3.193 20 0 GGADMN COC(=O)CCN(Cc1csc(Nc2ccccc2)n1)C1CCOCC1 ZINC000174443343 1427158430 /nfs/dbraw/zinc/15/84/30/1427158430.db2.gz HNFFHNGIVGIZFN-UHFFFAOYSA-N 0 1 375.494 3.431 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448186 1427160353 /nfs/dbraw/zinc/16/03/53/1427160353.db2.gz LBKHZTGBNPLZSS-SJORKVTESA-N 0 1 392.927 3.400 20 0 GGADMN CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736402518 1427160562 /nfs/dbraw/zinc/16/05/62/1427160562.db2.gz NAEBTOPUFVMYLD-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000174451042 1427161740 /nfs/dbraw/zinc/16/17/40/1427161740.db2.gz BCRCVRHPFYSCKB-FQEVSTJZSA-N 0 1 394.475 3.127 20 0 GGADMN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174454026 1427163222 /nfs/dbraw/zinc/16/32/22/1427163222.db2.gz XEFVQLBNQVZQGO-IBGZPJMESA-N 0 1 396.466 3.471 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668957 1427163235 /nfs/dbraw/zinc/16/32/35/1427163235.db2.gz XQUROACAOUVIRG-FZKQIMNGSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820668957 1427163239 /nfs/dbraw/zinc/16/32/39/1427163239.db2.gz XQUROACAOUVIRG-FZKQIMNGSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H](OCCCNC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccccc1 ZINC000174456337 1427163879 /nfs/dbraw/zinc/16/38/79/1427163879.db2.gz HANWTVQQCBIVQH-FQEVSTJZSA-N 0 1 395.547 3.332 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1cnn(CC2CC2)c1)N1CCCC1 ZINC000174455378 1427163983 /nfs/dbraw/zinc/16/39/83/1427163983.db2.gz UAZXFWUYXPMDEP-IBGZPJMESA-N 0 1 383.496 3.260 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000174456508 1427164498 /nfs/dbraw/zinc/16/44/98/1427164498.db2.gz CJSAWPALHNUVAO-CQSZACIVSA-N 0 1 395.438 3.262 20 0 GGADMN C[C@@H](OCCCNC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccccc1 ZINC000174456350 1427164757 /nfs/dbraw/zinc/16/47/57/1427164757.db2.gz HANWTVQQCBIVQH-HXUWFJFHSA-N 0 1 395.547 3.332 20 0 GGADMN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174457286 1427165175 /nfs/dbraw/zinc/16/51/75/1427165175.db2.gz UVFMFIXVEXOVNP-LLVKDONJSA-N 0 1 387.436 3.286 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)CCN3CCN(c4ccccn4)CC3)cc21 ZINC000174457355 1427165769 /nfs/dbraw/zinc/16/57/69/1427165769.db2.gz AQCXKRDCWZEQNW-UHFFFAOYSA-N 0 1 392.507 3.163 20 0 GGADMN COc1ccc(-c2noc(CCC(=O)NCc3nc4ccc(F)cc4[nH]3)n2)cc1 ZINC000174461242 1427167275 /nfs/dbraw/zinc/16/72/75/1427167275.db2.gz WPJCWQXYHLQWGT-UHFFFAOYSA-N 0 1 395.394 3.010 20 0 GGADMN CCn1c2ccccc2nc1SCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174462338 1427167887 /nfs/dbraw/zinc/16/78/87/1427167887.db2.gz LWUPWXCTARATCC-UHFFFAOYSA-N 0 1 383.452 3.480 20 0 GGADMN CCOc1ccc(OCC)c(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000174468415 1427170123 /nfs/dbraw/zinc/17/01/23/1427170123.db2.gz JQLQFHLMZDXVNJ-UHFFFAOYSA-N 0 1 398.507 3.030 20 0 GGADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(Br)cc1 ZINC000820276591 1427176227 /nfs/dbraw/zinc/17/62/27/1427176227.db2.gz XVOQVLBQGUMHST-LBPRGKRZSA-N 0 1 388.269 3.186 20 0 GGADMN COc1cccc([C@@H]2CCCN2C(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000174493452 1427180265 /nfs/dbraw/zinc/18/02/65/1427180265.db2.gz XTRCDPHKVGJCLF-QHCPKHFHSA-N 0 1 393.531 3.420 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)c2)CC1 ZINC000174496019 1427182898 /nfs/dbraw/zinc/18/28/98/1427182898.db2.gz OLQSJGZMLHULSO-UHFFFAOYSA-N 0 1 392.503 3.035 20 0 GGADMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1c(F)cccc1NC1CC1 ZINC000174496940 1427183903 /nfs/dbraw/zinc/18/39/03/1427183903.db2.gz NKTDUMLGYKIRTA-UHFFFAOYSA-N 0 1 394.406 3.022 20 0 GGADMN Cc1cc(NC(=O)CSc2nnc(C)[nH]2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000174499761 1427185471 /nfs/dbraw/zinc/18/54/71/1427185471.db2.gz FNQIBBREGUYBLP-UHFFFAOYSA-N 0 1 396.398 3.357 20 0 GGADMN Cc1cc(NC(=O)CSc2nc(C)n[nH]2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000174499761 1427185481 /nfs/dbraw/zinc/18/54/81/1427185481.db2.gz FNQIBBREGUYBLP-UHFFFAOYSA-N 0 1 396.398 3.357 20 0 GGADMN Cc1ccc(C(=O)CCC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000174503787 1427188874 /nfs/dbraw/zinc/18/88/74/1427188874.db2.gz IVJPLZDJSINCGY-UHFFFAOYSA-N 0 1 394.515 3.231 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)c2)CC1 ZINC000174503773 1427189024 /nfs/dbraw/zinc/18/90/24/1427189024.db2.gz SPVMLSFYDWRTST-HSZRJFAPSA-N 0 1 377.532 3.281 20 0 GGADMN CSCc1nc2ccccc2n1CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174509593 1427191784 /nfs/dbraw/zinc/19/17/84/1427191784.db2.gz NUSJGNIMYLSKAM-UHFFFAOYSA-N 0 1 397.479 3.274 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000174509906 1427191884 /nfs/dbraw/zinc/19/18/84/1427191884.db2.gz ROWWDTKULAIBHD-UHFFFAOYSA-N 0 1 381.386 3.308 20 0 GGADMN Cc1cccc(O[C@@H](C)CNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000174510137 1427192780 /nfs/dbraw/zinc/19/27/80/1427192780.db2.gz NSWDNOAUKPLLHA-HNNXBMFYSA-N 0 1 397.500 3.341 20 0 GGADMN C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585315 1427193187 /nfs/dbraw/zinc/19/31/87/1427193187.db2.gz PTDHLFPKCGISGA-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN O=C(CCCc1nnc(-c2ccccc2)o1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174511602 1427193331 /nfs/dbraw/zinc/19/33/31/1427193331.db2.gz CJNQPPNBDBQJBZ-UHFFFAOYSA-N 0 1 393.422 3.434 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccccc1F ZINC000174512858 1427194394 /nfs/dbraw/zinc/19/43/94/1427194394.db2.gz LGVHTBILEMWYEC-UHFFFAOYSA-N 0 1 381.386 3.308 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000174514737 1427195626 /nfs/dbraw/zinc/19/56/26/1427195626.db2.gz IOFYJMNOMWVVQW-HXUWFJFHSA-N 0 1 398.507 3.151 20 0 GGADMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccn[nH]1)CC2 ZINC000174517311 1427197256 /nfs/dbraw/zinc/19/72/56/1427197256.db2.gz QYWKLKGOTLDLCE-QFIPXVFZSA-N 0 1 377.444 3.144 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174516075 1427197427 /nfs/dbraw/zinc/19/74/27/1427197427.db2.gz LZZSWSVVCJTLJM-MRXNPFEDSA-N 0 1 390.459 3.150 20 0 GGADMN CCc1nsc(N2CCCN(CCC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000174522464 1427201640 /nfs/dbraw/zinc/20/16/40/1427201640.db2.gz DLUKLNISRFOMIF-UHFFFAOYSA-N 0 1 393.944 3.295 20 0 GGADMN C[C@](O)(CNCc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccco1 ZINC000174527276 1427204433 /nfs/dbraw/zinc/20/44/33/1427204433.db2.gz QHFHNCWZXAAXEO-KRWDZBQOSA-N 0 1 376.254 3.430 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc[nH]2)cs1 ZINC000174529655 1427206062 /nfs/dbraw/zinc/20/60/62/1427206062.db2.gz GAYQJQJVPQSCPU-UHFFFAOYSA-N 0 1 381.505 3.289 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccncc1 ZINC000174537732 1427209655 /nfs/dbraw/zinc/20/96/55/1427209655.db2.gz CVCRUQCQIFEEHQ-QGZVFWFLSA-N 0 1 397.523 3.457 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000174540087 1427211407 /nfs/dbraw/zinc/21/14/07/1427211407.db2.gz ZNQBUEKPIYXDKR-KRWDZBQOSA-N 0 1 397.523 3.457 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1cccnc1 ZINC000174540097 1427211736 /nfs/dbraw/zinc/21/17/36/1427211736.db2.gz ZNQBUEKPIYXDKR-QGZVFWFLSA-N 0 1 397.523 3.457 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCOc1ccccc1 ZINC000174540439 1427211871 /nfs/dbraw/zinc/21/18/71/1427211871.db2.gz TZHCQOLUHPULQK-UHFFFAOYSA-N 0 1 398.507 3.038 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)CCSCC ZINC000174541602 1427213152 /nfs/dbraw/zinc/21/31/52/1427213152.db2.gz NBKPDIYSTNILFJ-MRXNPFEDSA-N 0 1 394.585 3.490 20 0 GGADMN C[C@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nnc[nH]1 ZINC000174548637 1427217535 /nfs/dbraw/zinc/21/75/35/1427217535.db2.gz VOLZTHWNIRVVEX-NSHDSACASA-N 0 1 382.811 3.395 20 0 GGADMN Cc1ccc(Sc2nsc(NC(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1 ZINC000174556257 1427221789 /nfs/dbraw/zinc/22/17/89/1427221789.db2.gz JCJKREQOBSOZDD-UHFFFAOYSA-N 0 1 397.489 3.305 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000737033757 1427224767 /nfs/dbraw/zinc/22/47/67/1427224767.db2.gz SNUYSLFLFNOYOU-MRXNPFEDSA-N 0 1 381.480 3.126 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000737033757 1427224770 /nfs/dbraw/zinc/22/47/70/1427224770.db2.gz SNUYSLFLFNOYOU-MRXNPFEDSA-N 0 1 381.480 3.126 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000737033757 1427224774 /nfs/dbraw/zinc/22/47/74/1427224774.db2.gz SNUYSLFLFNOYOU-MRXNPFEDSA-N 0 1 381.480 3.126 20 0 GGADMN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H](C)c1nnc[nH]1 ZINC000174561213 1427225265 /nfs/dbraw/zinc/22/52/65/1427225265.db2.gz SECXRVYKYYVVFZ-CYBMUJFWSA-N 0 1 375.436 3.288 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)cc21 ZINC000174562471 1427226063 /nfs/dbraw/zinc/22/60/63/1427226063.db2.gz ITYFNQFNPOQLTJ-OAQYLSRUSA-N 0 1 392.503 3.409 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OC(C)C ZINC000174562497 1427226096 /nfs/dbraw/zinc/22/60/96/1427226096.db2.gz DCQDFYSWHMUSOH-IBGZPJMESA-N 0 1 383.492 3.140 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OC(C)C ZINC000174562510 1427226128 /nfs/dbraw/zinc/22/61/28/1427226128.db2.gz DCQDFYSWHMUSOH-LJQANCHMSA-N 0 1 383.492 3.140 20 0 GGADMN Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C)CC23CCCCC3)cc1 ZINC000174569325 1427230164 /nfs/dbraw/zinc/23/01/64/1427230164.db2.gz OLSKFGGRMURZJO-UHFFFAOYSA-N 0 1 399.564 3.145 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC(C)(C)SC)CC1 ZINC000174570767 1427231168 /nfs/dbraw/zinc/23/11/68/1427231168.db2.gz HIJUBHKKTPKHDZ-OAHLLOKOSA-N 0 1 396.576 3.469 20 0 GGADMN CC[C@@H]1CN(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCS1 ZINC000174569944 1427231588 /nfs/dbraw/zinc/23/15/88/1427231588.db2.gz WIXJVYZFTXQUHT-NVXWUHKLSA-N 0 1 394.560 3.176 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2c(F)cc(F)cc2F)N(C)C)cc1 ZINC000174578547 1427236778 /nfs/dbraw/zinc/23/67/78/1427236778.db2.gz CNZXNMDRFYUQKF-KRWDZBQOSA-N 0 1 393.409 3.024 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2c(F)cc(F)cc2F)N(C)C)cc1 ZINC000174578537 1427236811 /nfs/dbraw/zinc/23/68/11/1427236811.db2.gz CNZXNMDRFYUQKF-QGZVFWFLSA-N 0 1 393.409 3.024 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174579171 1427237420 /nfs/dbraw/zinc/23/74/20/1427237420.db2.gz BYPRBXLKKCNISH-FQEVSTJZSA-N 0 1 376.460 3.060 20 0 GGADMN Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc21 ZINC000174579182 1427237493 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/nfs/dbraw/zinc/33/39/87/1427333987.db2.gz WUNNZQRUCQURGQ-OAQYLSRUSA-N 0 1 378.520 3.266 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)ccc1C ZINC000174731386 1427336279 /nfs/dbraw/zinc/33/62/79/1427336279.db2.gz CENAAFJVBHCGSP-UHFFFAOYSA-N 0 1 388.367 3.479 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CC3(O)CCCC3)c(C(F)(F)F)c2)CC1 ZINC000174742764 1427343111 /nfs/dbraw/zinc/34/31/11/1427343111.db2.gz HSFWEGDKXCRNKI-UHFFFAOYSA-N 0 1 385.430 3.091 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)c2)CC1 ZINC000174748336 1427346421 /nfs/dbraw/zinc/34/64/21/1427346421.db2.gz SGMUKVNOPWVURK-HXUWFJFHSA-N 0 1 399.922 3.341 20 0 GGADMN O=C1NCCCN1c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000174753707 1427348646 /nfs/dbraw/zinc/34/86/46/1427348646.db2.gz TYWQCYQRTVQHBQ-UHFFFAOYSA-N 0 1 383.832 3.200 20 0 GGADMN O=C1NCCCN1c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000174754170 1427349359 /nfs/dbraw/zinc/34/93/59/1427349359.db2.gz KQROLHBQBXTXNL-UHFFFAOYSA-N 0 1 399.394 3.426 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)Nc3cccc(CN4CCN(C)CC4)c3)c2)o1 ZINC000174758976 1427352582 /nfs/dbraw/zinc/35/25/82/1427352582.db2.gz WYEYVBVKOFRVPC-UHFFFAOYSA-N 0 1 391.475 3.045 20 0 GGADMN O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc2c(c1)CCO2 ZINC000174762216 1427354105 /nfs/dbraw/zinc/35/41/05/1427354105.db2.gz YAMYYZKUHDUQID-UHFFFAOYSA-N 0 1 389.864 3.321 20 0 GGADMN CCc1nnc(-c2ccc(NS(=O)(=O)c3cnc(Cl)c(C)c3)cc2)o1 ZINC000174767697 1427356705 /nfs/dbraw/zinc/35/67/05/1427356705.db2.gz KYOPAHAGJSOZRG-UHFFFAOYSA-N 0 1 378.841 3.457 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)cc12 ZINC000174772135 1427358801 /nfs/dbraw/zinc/35/88/01/1427358801.db2.gz RPXYFAZUSJQEAM-UHFFFAOYSA-N 0 1 395.444 3.265 20 0 GGADMN CN(CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)Cc1ccccc1 ZINC000174781500 1427363499 /nfs/dbraw/zinc/36/34/99/1427363499.db2.gz YVGOMADBEIUCHS-UHFFFAOYSA-N 0 1 383.492 3.051 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC[C@H]1CCC[C@@H](O)C1 ZINC000174786239 1427366614 /nfs/dbraw/zinc/36/66/14/1427366614.db2.gz ZHEJNYAOOWZPDI-PKOBYXMFSA-N 0 1 393.959 3.402 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000822204282 1427369629 /nfs/dbraw/zinc/36/96/29/1427369629.db2.gz KTZNXEPSGSUBRO-CVEARBPZSA-N 0 1 395.486 3.314 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000822204282 1427369634 /nfs/dbraw/zinc/36/96/34/1427369634.db2.gz KTZNXEPSGSUBRO-CVEARBPZSA-N 0 1 395.486 3.314 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000822204282 1427369638 /nfs/dbraw/zinc/36/96/38/1427369638.db2.gz KTZNXEPSGSUBRO-CVEARBPZSA-N 0 1 395.486 3.314 20 0 GGADMN CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821088618 1427370859 /nfs/dbraw/zinc/37/08/59/1427370859.db2.gz PYWVOLBZJIFUDU-UHFFFAOYSA-N 0 1 384.415 3.078 20 0 GGADMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(CN3CCN(C)CC3)cc1)CCC2 ZINC000174798858 1427374581 /nfs/dbraw/zinc/37/45/81/1427374581.db2.gz GKERBALKNYQOKP-FQEVSTJZSA-N 0 1 398.576 3.349 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000174819436 1427385485 /nfs/dbraw/zinc/38/54/85/1427385485.db2.gz GKYKYTRNOVDLMZ-NHCUHLMSSA-N 0 1 399.579 3.442 20 0 GGADMN C[C@@H]1CCCCN1C(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000174822359 1427386871 /nfs/dbraw/zinc/38/68/71/1427386871.db2.gz BAVDTNUYLLJJHE-CQSZACIVSA-N 0 1 393.915 3.097 20 0 GGADMN C[C@@H](c1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1)[NH+]1CCOCC1 ZINC000820563457 1427390307 /nfs/dbraw/zinc/39/03/07/1427390307.db2.gz QYKYGCWPKMQRSL-AWEZNQCLSA-N 0 1 382.443 3.011 20 0 GGADMN Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(-c4nnn[n-]4)o3)c2)cc1 ZINC000822227661 1427394251 /nfs/dbraw/zinc/39/42/51/1427394251.db2.gz QQXTWFCLDHKFAW-UHFFFAOYSA-N 0 1 388.431 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824103446 1427398487 /nfs/dbraw/zinc/39/84/87/1427398487.db2.gz AMFGKOTWKCKFND-UHFFFAOYSA-N 0 1 398.511 3.093 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2cnn(CC(F)F)c2)N2CCCC2)cc1 ZINC000174844136 1427402482 /nfs/dbraw/zinc/40/24/82/1427402482.db2.gz JKXWOVVFBXULLH-KRWDZBQOSA-N 0 1 393.438 3.115 20 0 GGADMN CCC[N@@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736481218 1427404767 /nfs/dbraw/zinc/40/47/67/1427404767.db2.gz XKBWASSQURWPRY-UHFFFAOYSA-N 0 1 375.480 3.208 20 0 GGADMN CCC[N@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736481218 1427404769 /nfs/dbraw/zinc/40/47/69/1427404769.db2.gz XKBWASSQURWPRY-UHFFFAOYSA-N 0 1 375.480 3.208 20 0 GGADMN CCC[N@@H+](CCc1nc2ccccc2n1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736481218 1427404771 /nfs/dbraw/zinc/40/47/71/1427404771.db2.gz XKBWASSQURWPRY-UHFFFAOYSA-N 0 1 375.480 3.208 20 0 GGADMN CC[C@@H](NC(=O)c1nnc2ccccc2c1O)c1nc(C(F)(F)F)cs1 ZINC000174850687 1427406200 /nfs/dbraw/zinc/40/62/00/1427406200.db2.gz GHOJYQXCXLUPQY-SECBINFHSA-N 0 1 382.367 3.280 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000824324207 1427406538 /nfs/dbraw/zinc/40/65/38/1427406538.db2.gz JKFHTRSRCNWROO-UHFFFAOYSA-N 0 1 379.468 3.261 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2=O)cc1 ZINC000174855674 1427410055 /nfs/dbraw/zinc/41/00/55/1427410055.db2.gz KBAOFPDIPPEBJJ-OALUTQOASA-N 0 1 396.535 3.201 20 0 GGADMN C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571065 1427414768 /nfs/dbraw/zinc/41/47/68/1427414768.db2.gz POWDRALHMHIOPU-YWZLYKJASA-N 0 1 380.471 3.494 20 0 GGADMN C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824571065 1427414773 /nfs/dbraw/zinc/41/47/73/1427414773.db2.gz POWDRALHMHIOPU-YWZLYKJASA-N 0 1 380.471 3.494 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccccc3SCC(=O)NC(C)C)[nH]c2c1 ZINC000174872197 1427420259 /nfs/dbraw/zinc/42/02/59/1427420259.db2.gz SJKUHBBVGIZUOU-UHFFFAOYSA-N 0 1 396.516 3.418 20 0 GGADMN Cc1cc2nc(C)c(CCC(=O)NCc3nc4ccc(C)cc4[nH]3)c(C)n2n1 ZINC000174878384 1427423169 /nfs/dbraw/zinc/42/31/69/1427423169.db2.gz JKJGKJASXOOOLC-UHFFFAOYSA-N 0 1 376.464 3.088 20 0 GGADMN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174878263 1427423357 /nfs/dbraw/zinc/42/33/57/1427423357.db2.gz OHTBPWABJHNKBN-FQEVSTJZSA-N 0 1 376.460 3.024 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)[nH]c2c1 ZINC000174878175 1427423521 /nfs/dbraw/zinc/42/35/21/1427423521.db2.gz KVBNTBVAUCRHOI-INIZCTEOSA-N 0 1 391.475 3.432 20 0 GGADMN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174880749 1427424991 /nfs/dbraw/zinc/42/49/91/1427424991.db2.gz CNENCYSQANEQFO-ZDUSSCGKSA-N 0 1 383.473 3.455 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)[nH]c2c1 ZINC000174882012 1427426180 /nfs/dbraw/zinc/42/61/80/1427426180.db2.gz ZWWUJBCOSHQHKR-UHFFFAOYSA-N 0 1 396.344 3.476 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)[nH]c2c1 ZINC000174886810 1427428254 /nfs/dbraw/zinc/42/82/54/1427428254.db2.gz ZMOZSVKHEIRCTL-HNNXBMFYSA-N 0 1 382.851 3.194 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)[nH]c2c1 ZINC000174886826 1427428290 /nfs/dbraw/zinc/42/82/90/1427428290.db2.gz ZMOZSVKHEIRCTL-OAHLLOKOSA-N 0 1 382.851 3.194 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)[nH]c2c1 ZINC000174889780 1427428967 /nfs/dbraw/zinc/42/89/67/1427428967.db2.gz RNNXAYLLHPXETE-HNNXBMFYSA-N 0 1 382.851 3.194 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)[nH]c2c1 ZINC000174889801 1427429068 /nfs/dbraw/zinc/42/90/68/1427429068.db2.gz RNNXAYLLHPXETE-OAHLLOKOSA-N 0 1 382.851 3.194 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)[nH]c2c1 ZINC000174890543 1427429818 /nfs/dbraw/zinc/42/98/18/1427429818.db2.gz HBXSYEPRUQUNCB-IBGZPJMESA-N 0 1 382.439 3.081 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCN(c4cc(C)cc(C)c4)C3=O)[nH]c2c1 ZINC000174893881 1427431470 /nfs/dbraw/zinc/43/14/70/1427431470.db2.gz ZUISBIPBAAWXMZ-KRWDZBQOSA-N 0 1 376.460 3.157 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3nn(CC(C)C)c(=O)c4ccccc43)[nH]c2c1 ZINC000174897673 1427433606 /nfs/dbraw/zinc/43/36/06/1427433606.db2.gz VRMDWJVTFXZRSE-UHFFFAOYSA-N 0 1 389.459 3.167 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C)C(=O)N1CCCCCC1 ZINC000174900616 1427435340 /nfs/dbraw/zinc/43/53/40/1427435340.db2.gz CODZFGMANMEJLM-GOSISDBHSA-N 0 1 388.556 3.040 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H]1CCN(c2ccccc2)C1=O ZINC000174901087 1427436146 /nfs/dbraw/zinc/43/61/46/1427436146.db2.gz UGASJXPPQUNPAX-NRFANRHFSA-N 0 1 394.519 3.055 20 0 GGADMN COc1ccc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c(OC)c1 ZINC000174904865 1427437935 /nfs/dbraw/zinc/43/79/35/1427437935.db2.gz ZEBBYABLYVONAK-OAQYLSRUSA-N 0 1 398.503 3.404 20 0 GGADMN COc1cc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)cc(OC)c1 ZINC000174904815 1427437983 /nfs/dbraw/zinc/43/79/83/1427437983.db2.gz JNFMNOMHHFIVBE-JOCHJYFZSA-N 0 1 398.503 3.404 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000174906401 1427439690 /nfs/dbraw/zinc/43/96/90/1427439690.db2.gz LNVWIEUAEPBRHB-QFIPXVFZSA-N 0 1 395.503 3.346 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000174908334 1427440421 /nfs/dbraw/zinc/44/04/21/1427440421.db2.gz TWVOHGBPJYLDLH-JOCHJYFZSA-N 0 1 395.503 3.346 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)[nH]c2c1 ZINC000174909874 1427440935 /nfs/dbraw/zinc/44/09/35/1427440935.db2.gz ZLOGVZHXZVYFKW-FOIQADDNSA-N 0 1 396.878 3.361 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)ccc2OC[C@H]2CCCO2)N1 ZINC000174908472 1427440964 /nfs/dbraw/zinc/44/09/64/1427440964.db2.gz KGKYHDDNZSWCII-FZKQIMNGSA-N 0 1 397.866 3.344 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NC3(c4nccs4)CCCC3)cc2)CC1 ZINC000174911074 1427442036 /nfs/dbraw/zinc/44/20/36/1427442036.db2.gz ASLJWOXHOIXPOC-UHFFFAOYSA-N 0 1 384.549 3.090 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)n1 ZINC000174920230 1427446858 /nfs/dbraw/zinc/44/68/58/1427446858.db2.gz FUYSEOMFCRWSFZ-VXKWHMMOSA-N 0 1 395.551 3.188 20 0 GGADMN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000174924891 1427448035 /nfs/dbraw/zinc/44/80/35/1427448035.db2.gz IQRYQNISAFLJBN-UHFFFAOYSA-N 0 1 390.842 3.102 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(CN2CCCCC2=O)CC1 ZINC000174930044 1427450439 /nfs/dbraw/zinc/45/04/39/1427450439.db2.gz BHBUARHJRWLLDI-JOCHJYFZSA-N 0 1 397.563 3.292 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cc3[nH]nc4ccccc43)ccc2NC1=O ZINC000174931215 1427451521 /nfs/dbraw/zinc/45/15/21/1427451521.db2.gz JRZRDEYQFMOGEV-XIKOKIGWSA-N 0 1 378.432 3.092 20 0 GGADMN CS(=O)(=O)CC1(CNCc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000174941564 1427457543 /nfs/dbraw/zinc/45/75/43/1427457543.db2.gz CJKJKIHQKWDDKP-UHFFFAOYSA-N 0 1 394.924 3.228 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3cc(F)cc4nc[nH]c43)ccc2NC1=O ZINC000174945218 1427459127 /nfs/dbraw/zinc/45/91/27/1427459127.db2.gz HFJTZQZUEFFJCI-QLJPJBMISA-N 0 1 382.395 3.303 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CCc1nc3cccc(C)c3[nH]1)CC2 ZINC000174960160 1427467500 /nfs/dbraw/zinc/46/75/00/1427467500.db2.gz HCQCTHFUORIZAE-UHFFFAOYSA-N 0 1 379.460 3.406 20 0 GGADMN Fc1c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826371205 1427470699 /nfs/dbraw/zinc/47/06/99/1427470699.db2.gz XCFKMVDKOWQQGX-LJQANCHMSA-N 0 1 380.471 3.323 20 0 GGADMN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)C1(C)C ZINC000174979392 1427476563 /nfs/dbraw/zinc/47/65/63/1427476563.db2.gz ORPFWCXNDVHYCN-JKSUJKDBSA-N 0 1 389.521 3.268 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174982679 1427478224 /nfs/dbraw/zinc/47/82/24/1427478224.db2.gz QPEKRVMPFMDOHD-KRWDZBQOSA-N 0 1 390.487 3.229 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000174990623 1427483169 /nfs/dbraw/zinc/48/31/69/1427483169.db2.gz HRZASLDNRCXFJC-UHFFFAOYSA-N 0 1 390.505 3.396 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000174991224 1427483295 /nfs/dbraw/zinc/48/32/95/1427483295.db2.gz YFXBQQGFYSUIKU-UHFFFAOYSA-N 0 1 390.505 3.431 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000174998996 1427487958 /nfs/dbraw/zinc/48/79/58/1427487958.db2.gz VQXBUBSSPSQXJI-UHFFFAOYSA-N 0 1 380.441 3.035 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C)cc1C ZINC000175000015 1427489067 /nfs/dbraw/zinc/48/90/67/1427489067.db2.gz RIAAIQJXSONELY-UHFFFAOYSA-N 0 1 376.478 3.205 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000175000042 1427489565 /nfs/dbraw/zinc/48/95/65/1427489565.db2.gz LFGUYHMPNJCHIG-UHFFFAOYSA-N 0 1 380.441 3.035 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC1(c2nccs2)CCCC1 ZINC000175008461 1427494486 /nfs/dbraw/zinc/49/44/86/1427494486.db2.gz YIQSBKFDKXQEPP-INIZCTEOSA-N 0 1 390.505 3.153 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000175011484 1427495568 /nfs/dbraw/zinc/49/55/68/1427495568.db2.gz IUCDAQINLXUXEG-UTKZUKDTSA-N 0 1 385.485 3.419 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000175011462 1427495975 /nfs/dbraw/zinc/49/59/75/1427495975.db2.gz IUCDAQINLXUXEG-UWJYYQICSA-N 0 1 385.485 3.419 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000175014780 1427498321 /nfs/dbraw/zinc/49/83/21/1427498321.db2.gz AKYRBSPRKRWMLN-UHFFFAOYSA-N 0 1 376.478 3.205 20 0 GGADMN CNC(=O)CC1CCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000175015365 1427499456 /nfs/dbraw/zinc/49/94/56/1427499456.db2.gz VQXBDRUSBIJOFL-GOSISDBHSA-N 0 1 393.531 3.129 20 0 GGADMN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175022519 1427504757 /nfs/dbraw/zinc/50/47/57/1427504757.db2.gz HEUDVQHCGNFPJD-UZUQRXQVSA-N 0 1 384.495 3.461 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000737033883 1427504873 /nfs/dbraw/zinc/50/48/73/1427504873.db2.gz VLBXTDDPEGXVGO-GOSISDBHSA-N 0 1 379.464 3.264 20 0 GGADMN Cc1cccc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000175026768 1427507064 /nfs/dbraw/zinc/50/70/64/1427507064.db2.gz RKCGLOPVVDPLEI-UHFFFAOYSA-N 0 1 382.445 3.147 20 0 GGADMN CNC(=O)CC1CCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000175036453 1427512334 /nfs/dbraw/zinc/51/23/34/1427512334.db2.gz DCIBXWWLWCLGJI-OAQYLSRUSA-N 0 1 399.579 3.496 20 0 GGADMN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824199407 1427514248 /nfs/dbraw/zinc/51/42/48/1427514248.db2.gz JQCNQMCGXVTEPU-LJQANCHMSA-N 0 1 383.427 3.264 20 0 GGADMN C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607476 1427514337 /nfs/dbraw/zinc/51/43/37/1427514337.db2.gz YPCCAIWWJJRNIA-QMMMGPOBSA-N 0 1 386.378 3.374 20 0 GGADMN Cc1cc(NC(=O)CSc2n[nH]c(=S)s2)n(Cc2ccccc2)n1 ZINC000175044159 1427516228 /nfs/dbraw/zinc/51/62/28/1427516228.db2.gz CHIWMGKBRFSZAZ-UHFFFAOYSA-N 0 1 377.520 3.485 20 0 GGADMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1Cl ZINC000175046209 1427517624 /nfs/dbraw/zinc/51/76/24/1427517624.db2.gz SAVIJQBZRYPHNI-MRXNPFEDSA-N 0 1 377.847 3.145 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000175054067 1427522174 /nfs/dbraw/zinc/52/21/74/1427522174.db2.gz UBGVLBRMQGNXHU-FCHUYYIVSA-N 0 1 392.547 3.121 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000175054050 1427522259 /nfs/dbraw/zinc/52/22/59/1427522259.db2.gz UBGVLBRMQGNXHU-YADHBBJMSA-N 0 1 392.547 3.121 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000175055629 1427522666 /nfs/dbraw/zinc/52/26/66/1427522666.db2.gz ATSFXROILDXLRU-NHCUHLMSSA-N 0 1 392.547 3.307 20 0 GGADMN Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822205994 1427523587 /nfs/dbraw/zinc/52/35/87/1427523587.db2.gz QCULKTUSOBDDJR-KRWDZBQOSA-N 0 1 384.434 3.212 20 0 GGADMN Cc1c(F)cccc1NC(=O)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000175067854 1427528492 /nfs/dbraw/zinc/52/84/92/1427528492.db2.gz POZVXRHALNXPNX-UHFFFAOYSA-N 0 1 383.467 3.026 20 0 GGADMN C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000175071332 1427531109 /nfs/dbraw/zinc/53/11/09/1427531109.db2.gz OMWFMNHBCCSFAA-MRXNPFEDSA-N 0 1 394.519 3.017 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)N(C)CCO3)N2CCCC2)o1 ZINC000175088958 1427540089 /nfs/dbraw/zinc/54/00/89/1427540089.db2.gz KZLQUDZJJDTZOS-SFHVURJKSA-N 0 1 384.480 3.375 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175094011 1427542969 /nfs/dbraw/zinc/54/29/69/1427542969.db2.gz LDQIJWBBVDHIOR-GOSISDBHSA-N 0 1 376.456 3.392 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc2c(c1)N(C)CCO2)N1CCc2ccccc2C1 ZINC000175105814 1427549639 /nfs/dbraw/zinc/54/96/39/1427549639.db2.gz FYVPNYXYJIXPOF-INIZCTEOSA-N 0 1 380.492 3.084 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)NCC1(c2cccc(Cl)c2)CC1 ZINC000175115884 1427554850 /nfs/dbraw/zinc/55/48/50/1427554850.db2.gz LNLYTNCLZUNLME-UHFFFAOYSA-N 0 1 398.938 3.095 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2C)N2CCCC2)cc1 ZINC000175117276 1427555418 /nfs/dbraw/zinc/55/54/18/1427555418.db2.gz DTQIOOUTXGGRKZ-HXUWFJFHSA-N 0 1 383.467 3.334 20 0 GGADMN COCCOc1ccc([C@@H](C)[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826162501 1427557444 /nfs/dbraw/zinc/55/74/44/1427557444.db2.gz FCIKOYKYLVHKTR-OAHLLOKOSA-N 0 1 379.464 3.232 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000175122357 1427558333 /nfs/dbraw/zinc/55/83/33/1427558333.db2.gz WBZSJGPNZDTANN-CQSZACIVSA-N 0 1 384.524 3.235 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccc4nc(C5CC5)oc4c3)cc2[nH]c1=S ZINC000175121929 1427558471 /nfs/dbraw/zinc/55/84/71/1427558471.db2.gz JSIGIHLPSDZJEQ-UHFFFAOYSA-N 0 1 392.440 3.493 20 0 GGADMN COc1ccc(N(Cc2ccco2)C(=O)CSc2nnc(C)[nH]2)cc1F ZINC000175123955 1427559114 /nfs/dbraw/zinc/55/91/14/1427559114.db2.gz SIUHGPMHGQZXKE-UHFFFAOYSA-N 0 1 376.413 3.179 20 0 GGADMN COc1ccc(N(Cc2ccco2)C(=O)CSc2nc(C)n[nH]2)cc1F ZINC000175123955 1427559118 /nfs/dbraw/zinc/55/91/18/1427559118.db2.gz SIUHGPMHGQZXKE-UHFFFAOYSA-N 0 1 376.413 3.179 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cn1nccc1-c1ccncc1 ZINC000735830039 1427564015 /nfs/dbraw/zinc/56/40/15/1427564015.db2.gz AQOMQXHGOKVRAU-UHFFFAOYSA-N 0 1 388.479 3.241 20 0 GGADMN Cc1cccc2nc(CCC(=O)N(C)Cc3ccccc3N3CCOCC3)[nH]c21 ZINC000175141643 1427566480 /nfs/dbraw/zinc/56/64/80/1427566480.db2.gz AVNVCINNGOXJOM-UHFFFAOYSA-N 0 1 392.503 3.299 20 0 GGADMN C[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000736025924 1427567108 /nfs/dbraw/zinc/56/71/08/1427567108.db2.gz KXUOZPVSRTUVGS-HNNXBMFYSA-N 0 1 385.475 3.274 20 0 GGADMN C[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000736025924 1427567114 /nfs/dbraw/zinc/56/71/14/1427567114.db2.gz KXUOZPVSRTUVGS-HNNXBMFYSA-N 0 1 385.475 3.274 20 0 GGADMN C[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000736025924 1427567119 /nfs/dbraw/zinc/56/71/19/1427567119.db2.gz KXUOZPVSRTUVGS-HNNXBMFYSA-N 0 1 385.475 3.274 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c2cnn(C)c2n1 ZINC000175149612 1427569511 /nfs/dbraw/zinc/56/95/11/1427569511.db2.gz NOZNSBVBOLFFQW-UHFFFAOYSA-N 0 1 397.910 3.325 20 0 GGADMN CC[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1cc(F)ccc1F ZINC000175166714 1427577587 /nfs/dbraw/zinc/57/75/87/1427577587.db2.gz VSLBOUZYIKLMSD-IBGZPJMESA-N 0 1 388.462 3.139 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NC(C)(C)c3ccc(F)c(F)c3)cc2[nH]c1=S ZINC000175166382 1427577613 /nfs/dbraw/zinc/57/76/13/1427577613.db2.gz JPHFKLIDLMTRCV-UHFFFAOYSA-N 0 1 389.427 3.166 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C)o1 ZINC000175166730 1427578209 /nfs/dbraw/zinc/57/82/09/1427578209.db2.gz KIGZJSPBRDNFDE-IRXDYDNUSA-N 0 1 375.469 3.395 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)c1ccco1 ZINC000175179449 1427584371 /nfs/dbraw/zinc/58/43/71/1427584371.db2.gz RKIIBEDUFMSIHR-ROUUACIJSA-N 0 1 387.480 3.112 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1Cl ZINC000175179664 1427585728 /nfs/dbraw/zinc/58/57/28/1427585728.db2.gz XKALUVBYOBGSFW-CRAIPNDOSA-N 0 1 394.947 3.020 20 0 GGADMN Clc1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1-c1nnn[n-]1 ZINC000822574348 1427587404 /nfs/dbraw/zinc/58/74/04/1427587404.db2.gz RYRWTAVGHGAOHC-CQSZACIVSA-N 0 1 375.908 3.008 20 0 GGADMN Cn1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360640 1427590164 /nfs/dbraw/zinc/59/01/64/1427590164.db2.gz SEGPGFFJEFSWDX-IBGZPJMESA-N 0 1 389.438 3.353 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360640 1427590169 /nfs/dbraw/zinc/59/01/69/1427590169.db2.gz SEGPGFFJEFSWDX-IBGZPJMESA-N 0 1 389.438 3.353 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1Cl ZINC000821207832 1427592210 /nfs/dbraw/zinc/59/22/10/1427592210.db2.gz VJTQSYJNZDTXBV-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NCCN(C)Cc3ccc(F)cc3)cn2)n1 ZINC000175196092 1427592761 /nfs/dbraw/zinc/59/27/61/1427592761.db2.gz SPDAYZJPSCGOHX-UHFFFAOYSA-N 0 1 396.470 3.277 20 0 GGADMN O=C(CCNC(=O)c1cc(Cl)c2ccccc2c1O)NCc1cccnc1 ZINC000175204718 1427599384 /nfs/dbraw/zinc/59/93/84/1427599384.db2.gz IBJALLHBTVNOBM-UHFFFAOYSA-N 0 1 383.835 3.030 20 0 GGADMN CCCOc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)c(OC(F)F)c1 ZINC000821134015 1427599905 /nfs/dbraw/zinc/59/99/05/1427599905.db2.gz KKKWJNUKBTYIGX-UHFFFAOYSA-N 0 1 379.367 3.140 20 0 GGADMN O=C(CC[NH2+][C@H](CC1CC1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826407762 1427602187 /nfs/dbraw/zinc/60/21/87/1427602187.db2.gz ZUEBZVPENWTRTB-MRXNPFEDSA-N 0 1 382.493 3.388 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1cc(-c2nnn[n-]2)cs1 ZINC000824507401 1427603069 /nfs/dbraw/zinc/60/30/69/1427603069.db2.gz XFHSBQIAOCUYOK-SWLSCSKDSA-N 0 1 392.529 3.196 20 0 GGADMN Cc1csc([C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C2CC2)n1 ZINC000175212388 1427604142 /nfs/dbraw/zinc/60/41/42/1427604142.db2.gz SXBZTQDLWZHDPS-GOSISDBHSA-N 0 1 385.537 3.261 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824571815 1427607127 /nfs/dbraw/zinc/60/71/27/1427607127.db2.gz RYIRLZXVTBRKOQ-YWZLYKJASA-N 0 1 395.507 3.360 20 0 GGADMN NC(=O)C[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000175216563 1427608134 /nfs/dbraw/zinc/60/81/34/1427608134.db2.gz LVBRTFYEJVTTSF-SFHVURJKSA-N 0 1 389.515 3.074 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C1 ZINC000736225749 1427609851 /nfs/dbraw/zinc/60/98/51/1427609851.db2.gz CWYIHOMBIADDMK-HZPDHXFCSA-N 0 1 377.496 3.352 20 0 GGADMN Cc1c(Br)cccc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000175221278 1427611117 /nfs/dbraw/zinc/61/11/17/1427611117.db2.gz IONJKOSQZOCBFM-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN C[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824598236 1427612405 /nfs/dbraw/zinc/61/24/05/1427612405.db2.gz COMVVQMVPIIJQJ-LBPRGKRZSA-N 0 1 387.285 3.392 20 0 GGADMN COCCOc1cc(C)ccc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175229235 1427614201 /nfs/dbraw/zinc/61/42/01/1427614201.db2.gz UTKPAERLRCXTEM-UHFFFAOYSA-N 0 1 389.471 3.413 20 0 GGADMN CCN(Cn1nc(-c2ccc(I)cc2)nc1C)C1CC1 ZINC000175232633 1427615904 /nfs/dbraw/zinc/61/59/04/1427615904.db2.gz OANYLNJOEUDADC-UHFFFAOYSA-N 0 1 382.249 3.300 20 0 GGADMN CN(CCNC(=O)Nc1ccc(N2CCOC2=O)cc1)Cc1ccc(F)cc1 ZINC000175249051 1427624791 /nfs/dbraw/zinc/62/47/91/1427624791.db2.gz KUUSDMCACIWOQE-UHFFFAOYSA-N 0 1 386.427 3.036 20 0 GGADMN O=C(c1cc(Cl)c2ccccc2c1O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000175248664 1427624998 /nfs/dbraw/zinc/62/49/98/1427624998.db2.gz KQGYEFYSBMMMIR-UHFFFAOYSA-N 0 1 396.756 3.465 20 0 GGADMN CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000824019998 1427626286 /nfs/dbraw/zinc/62/62/86/1427626286.db2.gz XYAAQOTVEZQQBN-UHFFFAOYSA-N 0 1 377.452 3.067 20 0 GGADMN C[N@H+](CCOc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821604781 1427626966 /nfs/dbraw/zinc/62/69/66/1427626966.db2.gz GDYYHBHVTWIRTQ-UHFFFAOYSA-N 0 1 393.369 3.118 20 0 GGADMN C[N@@H+](CCOc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821604781 1427626970 /nfs/dbraw/zinc/62/69/70/1427626970.db2.gz GDYYHBHVTWIRTQ-UHFFFAOYSA-N 0 1 393.369 3.118 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C12CCCC2 ZINC000175261911 1427632213 /nfs/dbraw/zinc/63/22/13/1427632213.db2.gz XVFUNVQRICRAGU-IRXDYDNUSA-N 0 1 399.495 3.017 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C12CCCC2 ZINC000175261911 1427632220 /nfs/dbraw/zinc/63/22/20/1427632220.db2.gz XVFUNVQRICRAGU-IRXDYDNUSA-N 0 1 399.495 3.017 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@@H](Cc4ccccc4)C3)n2)cc1 ZINC000175263729 1427632977 /nfs/dbraw/zinc/63/29/77/1427632977.db2.gz NXUREPYOIZCLLH-KRWDZBQOSA-N 0 1 391.475 3.255 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CC[C@@H](Cc4ccccc4)C3)n[nH]2)cc1 ZINC000175263729 1427632982 /nfs/dbraw/zinc/63/29/82/1427632982.db2.gz NXUREPYOIZCLLH-KRWDZBQOSA-N 0 1 391.475 3.255 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000175267754 1427635759 /nfs/dbraw/zinc/63/57/59/1427635759.db2.gz YLXZPXMKJGOESC-UXHICEINSA-N 0 1 375.582 3.228 20 0 GGADMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](CC(N)=O)C1 ZINC000175269587 1427637702 /nfs/dbraw/zinc/63/77/02/1427637702.db2.gz FYXSBQARPZUSRD-NWDGAFQWSA-N 0 1 382.386 3.404 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1 ZINC000175271708 1427639441 /nfs/dbraw/zinc/63/94/41/1427639441.db2.gz WQDXWLKKMHRBQB-UHFFFAOYSA-N 0 1 388.443 3.282 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001139095066 1427641402 /nfs/dbraw/zinc/64/14/02/1427641402.db2.gz QAUXWOPMVDBWDC-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001139095066 1427641404 /nfs/dbraw/zinc/64/14/04/1427641404.db2.gz QAUXWOPMVDBWDC-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001139095066 1427641407 /nfs/dbraw/zinc/64/14/07/1427641407.db2.gz QAUXWOPMVDBWDC-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cccc(N2CCCNC2=O)c1)c1ccco1 ZINC000175279316 1427644110 /nfs/dbraw/zinc/64/41/10/1427644110.db2.gz NCBNLSAZOHVQJU-SFHVURJKSA-N 0 1 384.480 3.012 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccc(N3CCCNC3=O)c2)N2CCCC2)o1 ZINC000175294309 1427652516 /nfs/dbraw/zinc/65/25/16/1427652516.db2.gz RRJTWMXZLAJUOI-IBGZPJMESA-N 0 1 396.491 3.075 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000175295125 1427653336 /nfs/dbraw/zinc/65/33/36/1427653336.db2.gz RUSGROGQWMXUJZ-SFHVURJKSA-N 0 1 395.503 3.027 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc(C)nc1C(C)C ZINC000175296147 1427654659 /nfs/dbraw/zinc/65/46/59/1427654659.db2.gz SZVGACWJISPVMC-UHFFFAOYSA-N 0 1 397.523 3.311 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000175296130 1427654682 /nfs/dbraw/zinc/65/46/82/1427654682.db2.gz LIOAXRHCAJLCCU-HZPDHXFCSA-N 0 1 391.562 3.256 20 0 GGADMN Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1C ZINC000826298310 1427654715 /nfs/dbraw/zinc/65/47/15/1427654715.db2.gz NGUCUBKFCZOWHP-UHFFFAOYSA-N 0 1 390.491 3.334 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1ccccc1OC ZINC000175297522 1427655523 /nfs/dbraw/zinc/65/55/23/1427655523.db2.gz FCBQUPWZGZFNFQ-UHFFFAOYSA-N 0 1 397.519 3.417 20 0 GGADMN C[S@@](=O)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000175299604 1427657823 /nfs/dbraw/zinc/65/78/23/1427657823.db2.gz ZIWZELQTKDCDCT-XRHLQHRESA-N 0 1 389.521 3.043 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)ccc1OC ZINC000175299051 1427657931 /nfs/dbraw/zinc/65/79/31/1427657931.db2.gz HYCKRVXXODQONN-UHFFFAOYSA-N 0 1 387.455 3.237 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc2ccccc2c1 ZINC000175300053 1427658471 /nfs/dbraw/zinc/65/84/71/1427658471.db2.gz OBLSINFSAWQGLE-UHFFFAOYSA-N 0 1 375.453 3.155 20 0 GGADMN C[S@](=O)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000175299616 1427658501 /nfs/dbraw/zinc/65/85/01/1427658501.db2.gz ZIWZELQTKDCDCT-MYUZEXMDSA-N 0 1 389.521 3.043 20 0 GGADMN CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)Cc1nccs1 ZINC000175300291 1427658721 /nfs/dbraw/zinc/65/87/21/1427658721.db2.gz NMCFDASWNBTQGF-KRWDZBQOSA-N 0 1 392.956 3.182 20 0 GGADMN Cc1oc(C(=O)Nc2c(F)cc(F)cc2F)cc1S(=O)(=O)N1CCCC1 ZINC000175299954 1427659269 /nfs/dbraw/zinc/65/92/69/1427659269.db2.gz MOOVJAQCQDOWSM-UHFFFAOYSA-N 0 1 388.367 3.042 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1ccc(CC)cc1 ZINC000175301795 1427661305 /nfs/dbraw/zinc/66/13/05/1427661305.db2.gz ROJYHURJDYZUFZ-UHFFFAOYSA-N 0 1 397.519 3.417 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1cc(F)ccc1F ZINC000175302991 1427662311 /nfs/dbraw/zinc/66/23/11/1427662311.db2.gz ZXOVQJNQMZNADP-UHFFFAOYSA-N 0 1 389.446 3.297 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000175303427 1427662955 /nfs/dbraw/zinc/66/29/55/1427662955.db2.gz MCUMHSUJTGYVKB-SJLPKXTDSA-N 0 1 375.513 3.123 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccccc1 ZINC000175304775 1427663002 /nfs/dbraw/zinc/66/30/02/1427663002.db2.gz VBJSSLUUMDLPED-UHFFFAOYSA-N 0 1 395.503 3.439 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccnc(SC)c1 ZINC000175305239 1427664165 /nfs/dbraw/zinc/66/41/65/1427664165.db2.gz QNSVDGXRAPLLHL-UHFFFAOYSA-N 0 1 386.521 3.206 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000175305011 1427664336 /nfs/dbraw/zinc/66/43/36/1427664336.db2.gz LAXDSDHBDKOGSG-LJQANCHMSA-N 0 1 395.503 3.342 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)ccc1F ZINC000175306130 1427665676 /nfs/dbraw/zinc/66/56/76/1427665676.db2.gz VJOITANHYDHSHX-UHFFFAOYSA-N 0 1 375.419 3.368 20 0 GGADMN CCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175307295 1427665753 /nfs/dbraw/zinc/66/57/53/1427665753.db2.gz PZINKABPUBHRHH-UHFFFAOYSA-N 0 1 394.475 3.300 20 0 GGADMN Fc1ccc(C[N@H+]2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000737651373 1427665883 /nfs/dbraw/zinc/66/58/83/1427665883.db2.gz UBOXBPMJQZSVNV-UHFFFAOYSA-N 0 1 386.862 3.372 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000175309234 1427667656 /nfs/dbraw/zinc/66/76/56/1427667656.db2.gz IJXIRWRQTUKVFB-AWEZNQCLSA-N 0 1 397.500 3.350 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC[C@@H]1c1cccc(F)c1 ZINC000175314662 1427671091 /nfs/dbraw/zinc/67/10/91/1427671091.db2.gz XHHMGMOBAJTWAF-QGZVFWFLSA-N 0 1 383.448 3.188 20 0 GGADMN Cc1ccccc1[C@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175314154 1427671281 /nfs/dbraw/zinc/67/12/81/1427671281.db2.gz LWAKYLQGNYAGOX-GOSISDBHSA-N 0 1 379.485 3.357 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(N2CCCC2)c(F)c1 ZINC000175314057 1427671333 /nfs/dbraw/zinc/67/13/33/1427671333.db2.gz DBUYHHUDXNTYSD-UHFFFAOYSA-N 0 1 398.463 3.063 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CCO2)n[nH]1 ZINC000175316227 1427671909 /nfs/dbraw/zinc/67/19/09/1427671909.db2.gz PCYJGRVNAGNFBY-HZPDHXFCSA-N 0 1 375.860 3.001 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CCO2)n[nH]1 ZINC000175316245 1427672188 /nfs/dbraw/zinc/67/21/88/1427672188.db2.gz PCYJGRVNAGNFBY-HOTGVXAUSA-N 0 1 375.860 3.001 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CCO2)n[nH]1 ZINC000175316209 1427672358 /nfs/dbraw/zinc/67/23/58/1427672358.db2.gz PCYJGRVNAGNFBY-JKSUJKDBSA-N 0 1 375.860 3.001 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000175318697 1427673738 /nfs/dbraw/zinc/67/37/38/1427673738.db2.gz KSOPIZNLIAAJJN-SFHVURJKSA-N 0 1 379.485 3.357 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)cc1 ZINC000175318652 1427673798 /nfs/dbraw/zinc/67/37/98/1427673798.db2.gz JLDVNZDZLIUOOA-UHFFFAOYSA-N 0 1 393.531 3.225 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(Cc3cccc4c3OCCO4)CC2)cc1 ZINC000175320391 1427675390 /nfs/dbraw/zinc/67/53/90/1427675390.db2.gz DADSESJVQPOUJY-UHFFFAOYSA-N 0 1 380.488 3.295 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000175321595 1427676893 /nfs/dbraw/zinc/67/68/93/1427676893.db2.gz VHOUFUJNIGCVIG-IBGZPJMESA-N 0 1 393.531 3.028 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CCN1C[C@@H](C)O ZINC000175323522 1427678576 /nfs/dbraw/zinc/67/85/76/1427678576.db2.gz RSJNKPKEYWOOBJ-MOPGFXCFSA-N 0 1 388.556 3.376 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000175326076 1427679883 /nfs/dbraw/zinc/67/98/83/1427679883.db2.gz GHNGRKXRSGVWJT-JOCHJYFZSA-N 0 1 391.515 3.129 20 0 GGADMN COC(=O)Nc1cc(NC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1F ZINC000175325663 1427679942 /nfs/dbraw/zinc/67/99/42/1427679942.db2.gz DBXLUISCBGXABJ-UHFFFAOYSA-N 0 1 392.406 3.397 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000175329546 1427683092 /nfs/dbraw/zinc/68/30/92/1427683092.db2.gz RJQPXPPQTQOXQL-SLFFLAALSA-N 0 1 399.579 3.216 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000175329492 1427683213 /nfs/dbraw/zinc/68/32/13/1427683213.db2.gz RJQPXPPQTQOXQL-ZCNNSNEGSA-N 0 1 399.579 3.216 20 0 GGADMN Cc1cccc2nc(CCC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)[nH]c21 ZINC000175332896 1427685899 /nfs/dbraw/zinc/68/58/99/1427685899.db2.gz GWNRALSWYVNKMK-OAHLLOKOSA-N 0 1 399.516 3.427 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)CCO2)n[nH]1 ZINC000175334484 1427686635 /nfs/dbraw/zinc/68/66/35/1427686635.db2.gz QELUKNXRAPMQLA-UONOGXRCSA-N 0 1 393.900 3.087 20 0 GGADMN CC[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000175339719 1427690559 /nfs/dbraw/zinc/69/05/59/1427690559.db2.gz DOCUZHQNURZUSY-PZJWPPBQSA-N 0 1 387.568 3.497 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000175350123 1427697970 /nfs/dbraw/zinc/69/79/70/1427697970.db2.gz ZEHNRZXPJJBSOJ-UHFFFAOYSA-N 0 1 382.489 3.169 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CCN1C[C@@H](C)O ZINC000175354765 1427701302 /nfs/dbraw/zinc/70/13/02/1427701302.db2.gz MAEHHRQOTVKEJL-AUUYWEPGSA-N 0 1 386.496 3.267 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CCN1C[C@@H](C)O ZINC000175354789 1427701407 /nfs/dbraw/zinc/70/14/07/1427701407.db2.gz MAEHHRQOTVKEJL-KUHUBIRLSA-N 0 1 386.496 3.267 20 0 GGADMN COc1cc(F)c(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1OC ZINC000175356287 1427701945 /nfs/dbraw/zinc/70/19/45/1427701945.db2.gz XYFUVPDBQWISBY-UHFFFAOYSA-N 0 1 379.407 3.236 20 0 GGADMN CC(C)[C@H](CNC(=O)NC1CCN(Cc2ccccn2)CC1)c1cccnc1 ZINC000175355430 1427701982 /nfs/dbraw/zinc/70/19/82/1427701982.db2.gz DPYCFIMQHGPZPD-NRFANRHFSA-N 0 1 381.524 3.180 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CC[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000175357885 1427703694 /nfs/dbraw/zinc/70/36/94/1427703694.db2.gz MXLMOXHWBWNHSV-QFIPXVFZSA-N 0 1 377.532 3.139 20 0 GGADMN C[C@H]([NH2+]C(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736130151 1427710756 /nfs/dbraw/zinc/71/07/56/1427710756.db2.gz GODISCLFBOZDQE-AWEZNQCLSA-N 0 1 388.479 3.351 20 0 GGADMN Cc1c([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(Cl)cc1 ZINC000822021235 1427711151 /nfs/dbraw/zinc/71/11/51/1427711151.db2.gz XMFAJQYZXGDPGI-GFCCVEGCSA-N 0 1 394.870 3.260 20 0 GGADMN O[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738391599 1427711698 /nfs/dbraw/zinc/71/16/98/1427711698.db2.gz YLEGMNRZPAZSSR-CTNGQTDRSA-N 0 1 393.491 3.086 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC1(c2cccc(Cl)c2)CC1 ZINC000175371441 1427714432 /nfs/dbraw/zinc/71/44/32/1427714432.db2.gz AJEFWVISWJRFAI-UHFFFAOYSA-N 0 1 385.876 3.144 20 0 GGADMN COc1ccc([C@H](C)CCNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000175373383 1427716121 /nfs/dbraw/zinc/71/61/21/1427716121.db2.gz WVCXNVNBHYEQQZ-CQSZACIVSA-N 0 1 397.500 3.004 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(CC(F)(F)F)c1 ZINC000175376973 1427718602 /nfs/dbraw/zinc/71/86/02/1427718602.db2.gz VHFFBTDOIKKYEX-UHFFFAOYSA-N 0 1 393.390 3.429 20 0 GGADMN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822237445 1427719889 /nfs/dbraw/zinc/71/98/89/1427719889.db2.gz UDMAEIVQLBMFFR-KHPPLWFESA-N 0 1 388.475 3.423 20 0 GGADMN O=C(CNC(=O)c1ccc(O)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000175392242 1427727265 /nfs/dbraw/zinc/72/72/65/1427727265.db2.gz WSLNZLQOGOXIEV-UHFFFAOYSA-N 0 1 386.879 3.257 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000826503186 1427727518 /nfs/dbraw/zinc/72/75/18/1427727518.db2.gz SHQKRMNIVWIOEA-HKUYNNGSSA-N 0 1 385.418 3.233 20 0 GGADMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCNC(C)(C)C1 ZINC000175392613 1427728238 /nfs/dbraw/zinc/72/82/38/1427728238.db2.gz FDKQUAYCBFLCCS-UHFFFAOYSA-N 0 1 375.469 3.272 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2nc3c(cc2-c2nn[n-]n2)CCC3)[C@@H]1c1cccs1 ZINC000821623037 1427728508 /nfs/dbraw/zinc/72/85/08/1427728508.db2.gz AKHGNOAZOVCTEO-RDTXWAMCSA-N 0 1 395.536 3.307 20 0 GGADMN C[N@@H+]1CCC[C@H](CNc2nc3c(cc2-c2nnn[n-]2)CCC3)[C@@H]1c1cccs1 ZINC000821623037 1427728519 /nfs/dbraw/zinc/72/85/19/1427728519.db2.gz AKHGNOAZOVCTEO-RDTXWAMCSA-N 0 1 395.536 3.307 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2nc3c(cc2-c2nnn[n-]2)CCC3)[C@@H]1c1cccs1 ZINC000821623037 1427728524 /nfs/dbraw/zinc/72/85/24/1427728524.db2.gz AKHGNOAZOVCTEO-RDTXWAMCSA-N 0 1 395.536 3.307 20 0 GGADMN Cc1c(C(=O)N2CCNC(C)(C)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000175397175 1427730708 /nfs/dbraw/zinc/73/07/08/1427730708.db2.gz ANDSDIYGQDHUGW-UHFFFAOYSA-N 0 1 375.476 3.067 20 0 GGADMN Cc1cnc(CNC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000175397864 1427731439 /nfs/dbraw/zinc/73/14/39/1427731439.db2.gz LGTOQJZXGWTCBI-GJZGRUSLSA-N 0 1 388.537 3.060 20 0 GGADMN c1cc(C[NH2+]CC[C@H]2CCCCO2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826515697 1427733214 /nfs/dbraw/zinc/73/32/14/1427733214.db2.gz HTRIGMCUKFZXFQ-HXUWFJFHSA-N 0 1 393.491 3.495 20 0 GGADMN Cc1cccc2nc(CCC(=O)NC[C@H](C)N3CCc4sccc4C3)[nH]c21 ZINC000175409278 1427738156 /nfs/dbraw/zinc/73/81/56/1427738156.db2.gz BXHDWZKFPVLXTE-HNNXBMFYSA-N 0 1 382.533 3.428 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409721 1427739241 /nfs/dbraw/zinc/73/92/41/1427739241.db2.gz NNSHGLMPEGLERE-IAKTWSEQSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409697 1427739438 /nfs/dbraw/zinc/73/94/38/1427739438.db2.gz NNSHGLMPEGLERE-RYGBOPQRSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CCO2)n[nH]1 ZINC000175411183 1427740206 /nfs/dbraw/zinc/74/02/06/1427740206.db2.gz MHKYVEFKJKGNTG-ZWKOTPCHSA-N 0 1 387.459 3.267 20 0 GGADMN Cc1cc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c2ccccc2n1 ZINC000737261514 1427740891 /nfs/dbraw/zinc/74/08/91/1427740891.db2.gz FYWGUIPUNOHIMD-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c2ccccc2n1 ZINC000737261514 1427740898 /nfs/dbraw/zinc/74/08/98/1427740898.db2.gz FYWGUIPUNOHIMD-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1cc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c2ccccc2n1 ZINC000737261514 1427740903 /nfs/dbraw/zinc/74/09/03/1427740903.db2.gz FYWGUIPUNOHIMD-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)COCc1ccccc1F ZINC000175414696 1427741982 /nfs/dbraw/zinc/74/19/82/1427741982.db2.gz QUGZJGPMGRRYQI-HWIKTNENSA-N 0 1 379.497 3.134 20 0 GGADMN CC[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H](C)O1 ZINC000736405644 1427744705 /nfs/dbraw/zinc/74/47/05/1427744705.db2.gz HDJSUJQIPJNACD-WDEREUQCSA-N 0 1 390.394 3.020 20 0 GGADMN COC(=O)c1cccc(OCCN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175419486 1427745143 /nfs/dbraw/zinc/74/51/43/1427745143.db2.gz CFMURBTVTOFPAN-WZQKQDCOSA-N 0 1 375.490 3.282 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCC2(CN3CCOCC3)CCCCC2)cs1 ZINC000175424826 1427747624 /nfs/dbraw/zinc/74/76/24/1427747624.db2.gz LDCATFJMTBAENO-MRXNPFEDSA-N 0 1 394.585 3.348 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)o1 ZINC000175431655 1427752407 /nfs/dbraw/zinc/75/24/07/1427752407.db2.gz BDFPZWVZNBRANY-IAGOWNOFSA-N 0 1 375.469 3.313 20 0 GGADMN CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000175449687 1427761006 /nfs/dbraw/zinc/76/10/06/1427761006.db2.gz POUVZGPSHCIGLS-HOTGVXAUSA-N 0 1 378.542 3.033 20 0 GGADMN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(C2CCOCC2)CC1 ZINC000175465641 1427768950 /nfs/dbraw/zinc/76/89/50/1427768950.db2.gz WUUGRLUFVCKAQM-HNNXBMFYSA-N 0 1 390.915 3.171 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000175468494 1427770945 /nfs/dbraw/zinc/77/09/45/1427770945.db2.gz HXYPJCVIKRQVKX-KRWDZBQOSA-N 0 1 379.476 3.235 20 0 GGADMN CO[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826147382 1427771140 /nfs/dbraw/zinc/77/11/40/1427771140.db2.gz VVFZPWJYIVEEGS-FQEVSTJZSA-N 0 1 379.464 3.057 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000175473693 1427773875 /nfs/dbraw/zinc/77/38/75/1427773875.db2.gz YVYDIFHNHWQBOL-UHFFFAOYSA-N 0 1 379.811 3.267 20 0 GGADMN CC[C@@H](CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)Oc1ccccc1C ZINC000175474207 1427774912 /nfs/dbraw/zinc/77/49/12/1427774912.db2.gz MJHBPPIQGNVCON-AWEZNQCLSA-N 0 1 383.473 3.108 20 0 GGADMN CCCN(CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000175478420 1427777119 /nfs/dbraw/zinc/77/71/19/1427777119.db2.gz HXIASZREJOXYOW-QGZVFWFLSA-N 0 1 385.483 3.031 20 0 GGADMN Cc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2C)c2cnn(C)c2n1 ZINC000175479505 1427777553 /nfs/dbraw/zinc/77/75/53/1427777553.db2.gz SCTJPEGIUJVVTJ-UHFFFAOYSA-N 0 1 395.532 3.386 20 0 GGADMN Cc1cccc2c(CCNC(=O)c3ccc(CN4CCN(C)CC4)cc3)c[nH]c21 ZINC000175482723 1427779307 /nfs/dbraw/zinc/77/93/07/1427779307.db2.gz YHOTVFZFFUFXBP-UHFFFAOYSA-N 0 1 390.531 3.196 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NC[C@H](C)c3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000175484388 1427779635 /nfs/dbraw/zinc/77/96/35/1427779635.db2.gz FMXNYJLLHUKOPA-IINYFYTJSA-N 0 1 398.294 3.307 20 0 GGADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C3CCOCC3)CC2)cc1 ZINC000175485331 1427781032 /nfs/dbraw/zinc/78/10/32/1427781032.db2.gz VAPDXTKRZXUKPV-QHCPKHFHSA-N 0 1 393.531 3.471 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826193203 1427780962 /nfs/dbraw/zinc/78/09/62/1427780962.db2.gz UKKAXALAXOPIGI-UHFFFAOYSA-N 0 1 375.379 3.109 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c2cnn(C)c2n1 ZINC000175492738 1427786821 /nfs/dbraw/zinc/78/68/21/1427786821.db2.gz ZSTLUCAJCFMCSA-UHFFFAOYSA-N 0 1 395.532 3.386 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)CCO2)n[nH]1 ZINC000175503931 1427793490 /nfs/dbraw/zinc/79/34/90/1427793490.db2.gz JXXOSCQLSGNUIB-IAGOWNOFSA-N 0 1 389.887 3.391 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824824276 1427793388 /nfs/dbraw/zinc/79/33/88/1427793388.db2.gz TVZWADKOWBSZDB-SFHVURJKSA-N 0 1 392.529 3.055 20 0 GGADMN CC[C@H](C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175508323 1427796058 /nfs/dbraw/zinc/79/60/58/1427796058.db2.gz FEEJYLLCADKBJT-QAPCUYQASA-N 0 1 384.442 3.380 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175511873 1427798800 /nfs/dbraw/zinc/79/88/00/1427798800.db2.gz FLCBYDFCJUMNHJ-VWNXMTODSA-N 0 1 375.516 3.456 20 0 GGADMN CC[C@@H](C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC000825121825 1427799052 /nfs/dbraw/zinc/79/90/52/1427799052.db2.gz VRSVLVOBGQIYPT-INIZCTEOSA-N 0 1 377.496 3.014 20 0 GGADMN COc1ccc2oc([C@H](C)NC(=O)N3CCO[C@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000175514043 1427799900 /nfs/dbraw/zinc/79/99/00/1427799900.db2.gz KSNYRWAYYFVLBF-SJCJKPOMSA-N 0 1 399.451 3.020 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](c3ccccc3Cl)C(C)C)CCO2)n[nH]1 ZINC000175541789 1427809194 /nfs/dbraw/zinc/80/91/94/1427809194.db2.gz JFNWSLVJYFSSDS-HZPDHXFCSA-N 0 1 377.876 3.247 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCO)[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000175546396 1427810752 /nfs/dbraw/zinc/81/07/52/1427810752.db2.gz SDWQEXIVHWJJDU-MOPGFXCFSA-N 0 1 387.549 3.432 20 0 GGADMN C[C@H](O)CC(C)(C)CNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000175549115 1427811558 /nfs/dbraw/zinc/81/15/58/1427811558.db2.gz XVPVSXXSPSWPHA-SFHVURJKSA-N 0 1 383.536 3.464 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 ZINC000175549967 1427812091 /nfs/dbraw/zinc/81/20/91/1427812091.db2.gz SAZULIGTWGCXPO-UHFFFAOYSA-N 0 1 381.402 3.451 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)NCC1(CCO)CCCCC1 ZINC000175564929 1427817076 /nfs/dbraw/zinc/81/70/76/1427817076.db2.gz SAZOFYYAAILYSX-SFHVURJKSA-N 0 1 377.529 3.439 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NCC3(c4cccs4)CCCCC3)CCO2)n[nH]1 ZINC000175568390 1427817607 /nfs/dbraw/zinc/81/76/07/1427817607.db2.gz VGTSRQMFMAVUEI-HNNXBMFYSA-N 0 1 389.525 3.160 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NCC3(c4cccs4)CCCCC3)CCO2)n[nH]1 ZINC000175568408 1427817617 /nfs/dbraw/zinc/81/76/17/1427817617.db2.gz VGTSRQMFMAVUEI-OAHLLOKOSA-N 0 1 389.525 3.160 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCO)[C@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000175571717 1427818598 /nfs/dbraw/zinc/81/85/98/1427818598.db2.gz LDISTCWQEINKJZ-SFTDATJTSA-N 0 1 385.483 3.120 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1cccc(F)c1 ZINC000175571301 1427818632 /nfs/dbraw/zinc/81/86/32/1427818632.db2.gz LKSPIUITNKDWNT-UZTOHYMASA-N 0 1 391.512 3.007 20 0 GGADMN CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825331858 1427821203 /nfs/dbraw/zinc/82/12/03/1427821203.db2.gz AQQMVHQAMPCOOD-FQEVSTJZSA-N 0 1 390.491 3.174 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000824109407 1427822881 /nfs/dbraw/zinc/82/28/81/1427822881.db2.gz PJDCRCKAUUFFOG-WBVHZDCISA-N 0 1 386.500 3.040 20 0 GGADMN CC(C)(C)CCCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735602787 1427823162 /nfs/dbraw/zinc/82/31/62/1427823162.db2.gz GNNAMJWPZXZOIC-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CC(C)(C)CCCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735602787 1427823165 /nfs/dbraw/zinc/82/31/65/1427823165.db2.gz GNNAMJWPZXZOIC-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CC(C)(C)CCCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735602787 1427823169 /nfs/dbraw/zinc/82/31/69/1427823169.db2.gz GNNAMJWPZXZOIC-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CCC[C@@H](O)CNC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 ZINC000175588937 1427823503 /nfs/dbraw/zinc/82/35/03/1427823503.db2.gz MYRVWDKUJOCDAB-MRXNPFEDSA-N 0 1 382.936 3.155 20 0 GGADMN CCC[C@H](O)CNC(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 ZINC000175588917 1427823785 /nfs/dbraw/zinc/82/37/85/1427823785.db2.gz MYRVWDKUJOCDAB-INIZCTEOSA-N 0 1 382.936 3.155 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c2c1 ZINC000822195472 1427823862 /nfs/dbraw/zinc/82/38/62/1427823862.db2.gz SOHXWCGVODFHLQ-KDOFPFPSSA-N 0 1 388.479 3.316 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCC2(CCO)CCCCC2)N2CCCC2)o1 ZINC000175606078 1427829047 /nfs/dbraw/zinc/82/90/47/1427829047.db2.gz QRNIDGYWGCAYIU-SFHVURJKSA-N 0 1 377.529 3.357 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)c1cccs1 ZINC000175627584 1427837221 /nfs/dbraw/zinc/83/72/21/1427837221.db2.gz GOFZZJKIOLNVTP-ZWKOTPCHSA-N 0 1 395.569 3.111 20 0 GGADMN Cn1ccc2ccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)cc21 ZINC000175632886 1427838912 /nfs/dbraw/zinc/83/89/12/1427838912.db2.gz SZUMXOQUNFANQC-UHFFFAOYSA-N 0 1 378.457 3.206 20 0 GGADMN CCN(C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)CC(F)(F)F ZINC000175653170 1427845350 /nfs/dbraw/zinc/84/53/50/1427845350.db2.gz GAWAKBLJTVXUBF-AWEZNQCLSA-N 0 1 380.414 3.423 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000175653542 1427845685 /nfs/dbraw/zinc/84/56/85/1427845685.db2.gz DLYXCLMAAWTOPM-UHFFFAOYSA-N 0 1 385.430 3.113 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@@H]3c4cccc(F)c4CC[C@H]3C)CC2)CCO1 ZINC000175654150 1427845694 /nfs/dbraw/zinc/84/56/94/1427845694.db2.gz NPJOQKYOTZZBPV-ZOCZFRKYSA-N 0 1 389.515 3.344 20 0 GGADMN CCCCO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000175653391 1427845802 /nfs/dbraw/zinc/84/58/02/1427845802.db2.gz XCWZWSDTVXKJMY-PMACEKPBSA-N 0 1 388.556 3.329 20 0 GGADMN CCCCO[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000175653415 1427845857 /nfs/dbraw/zinc/84/58/57/1427845857.db2.gz XCWZWSDTVXKJMY-WOJBJXKFSA-N 0 1 388.556 3.329 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826194263 1427846649 /nfs/dbraw/zinc/84/66/49/1427846649.db2.gz HBWOMHBAVSLIQZ-PKOBYXMFSA-N 0 1 397.454 3.103 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194263 1427846659 /nfs/dbraw/zinc/84/66/59/1427846659.db2.gz HBWOMHBAVSLIQZ-PKOBYXMFSA-N 0 1 397.454 3.103 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194263 1427846666 /nfs/dbraw/zinc/84/66/66/1427846666.db2.gz HBWOMHBAVSLIQZ-PKOBYXMFSA-N 0 1 397.454 3.103 20 0 GGADMN Cc1noc(-c2ccc(C(=O)NCC3(CN4CCOCC4)CCCCC3)cc2)n1 ZINC000175656720 1427846698 /nfs/dbraw/zinc/84/66/98/1427846698.db2.gz RMPQJGVYCUSUCZ-UHFFFAOYSA-N 0 1 398.507 3.058 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000175658094 1427846959 /nfs/dbraw/zinc/84/69/59/1427846959.db2.gz FLIUIWAZWVVWDA-UHFFFAOYSA-N 0 1 399.535 3.048 20 0 GGADMN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000175658390 1427847497 /nfs/dbraw/zinc/84/74/97/1427847497.db2.gz FFBZTKIRFXSWNP-KKSFZXQISA-N 0 1 389.515 3.203 20 0 GGADMN Cc1nn(-c2ccccc2)cc1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175663738 1427849274 /nfs/dbraw/zinc/84/92/74/1427849274.db2.gz MZGNUQOVUVFFIG-UHFFFAOYSA-N 0 1 396.535 3.193 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(N2CCCCCC2)nc1 ZINC000175668276 1427850606 /nfs/dbraw/zinc/85/06/06/1427850606.db2.gz GKMRUWJCAQMGDK-UHFFFAOYSA-N 0 1 393.535 3.251 20 0 GGADMN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCN(C2CCOCC2)CC1 ZINC000175672459 1427852001 /nfs/dbraw/zinc/85/20/01/1427852001.db2.gz VUPFFKJHFCYZFP-UHFFFAOYSA-N 0 1 398.385 3.175 20 0 GGADMN CSc1ccc(O[C@@H](C)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000175674548 1427852623 /nfs/dbraw/zinc/85/26/23/1427852623.db2.gz SSHIBYBLFZNJPQ-INIZCTEOSA-N 0 1 385.533 3.352 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000175677296 1427853718 /nfs/dbraw/zinc/85/37/18/1427853718.db2.gz GKIVXGYNTCTOOH-UHFFFAOYSA-N 0 1 386.477 3.204 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175679901 1427854641 /nfs/dbraw/zinc/85/46/41/1427854641.db2.gz WMVFOSWFUODBFJ-LADGPHEKSA-N 0 1 375.516 3.456 20 0 GGADMN Cc1ccccc1[C@@H]1CN(CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822351003 1427863043 /nfs/dbraw/zinc/86/30/43/1427863043.db2.gz JCDDROZCPMTMER-UTKZUKDTSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822351003 1427863050 /nfs/dbraw/zinc/86/30/50/1427863050.db2.gz JCDDROZCPMTMER-UTKZUKDTSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H](C)CO1 ZINC000822351003 1427863057 /nfs/dbraw/zinc/86/30/57/1427863057.db2.gz JCDDROZCPMTMER-UTKZUKDTSA-N 0 1 393.491 3.406 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000175706434 1427865507 /nfs/dbraw/zinc/86/55/07/1427865507.db2.gz GAUSMMGTKQBJME-MLGOLLRUSA-N 0 1 382.386 3.165 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000175706469 1427865674 /nfs/dbraw/zinc/86/56/74/1427865674.db2.gz GAUSMMGTKQBJME-WBMJQRKESA-N 0 1 382.386 3.165 20 0 GGADMN CN(CCNC(=O)NCc1cc(-c2ccccc2)on1)Cc1ccc(F)cc1 ZINC000175717876 1427868792 /nfs/dbraw/zinc/86/87/92/1427868792.db2.gz BDFUGHCTVPFDFD-UHFFFAOYSA-N 0 1 382.439 3.412 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCc3ccc(CN4CCCC4=O)cc3)[nH]c21 ZINC000175721692 1427869650 /nfs/dbraw/zinc/86/96/50/1427869650.db2.gz QLPNUZMKHYNTRF-UHFFFAOYSA-N 0 1 390.487 3.243 20 0 GGADMN CCc1ccc(C(C)(C)NC(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000175722822 1427870378 /nfs/dbraw/zinc/87/03/78/1427870378.db2.gz YPVWNYKUDJBDMP-UHFFFAOYSA-N 0 1 395.551 3.130 20 0 GGADMN CC(C)[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1nc(C2CC2)no1 ZINC000175725413 1427870685 /nfs/dbraw/zinc/87/06/85/1427870685.db2.gz CHJHWFXWQGOAHD-KRWDZBQOSA-N 0 1 389.475 3.214 20 0 GGADMN CC1(C)C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824791236 1427871770 /nfs/dbraw/zinc/87/17/70/1427871770.db2.gz XVBQHYWBVNFIIC-SFHVURJKSA-N 0 1 393.491 3.493 20 0 GGADMN COCc1cc(CNC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1F ZINC000175746222 1427877630 /nfs/dbraw/zinc/87/76/30/1427877630.db2.gz USYQRBIOJOLKPY-UHFFFAOYSA-N 0 1 377.435 3.042 20 0 GGADMN COc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000821808515 1427879513 /nfs/dbraw/zinc/87/95/13/1427879513.db2.gz HMGJOFXNHCUDKA-YLJYHZDGSA-N 0 1 379.464 3.133 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(F)cc1F ZINC000175764763 1427884241 /nfs/dbraw/zinc/88/42/41/1427884241.db2.gz AJCUPYWKMGAEGZ-INIZCTEOSA-N 0 1 396.415 3.192 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1N1CCOC1=O ZINC000175772006 1427887068 /nfs/dbraw/zinc/88/70/68/1427887068.db2.gz YKRVYGJNLGFWRA-UHFFFAOYSA-N 0 1 382.388 3.339 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c(F)cc1F ZINC000175770634 1427887193 /nfs/dbraw/zinc/88/71/93/1427887193.db2.gz BSMYYTOUCTYGQA-UHFFFAOYSA-N 0 1 394.399 3.036 20 0 GGADMN Cc1ccc2c(c1)N(C(=O)c1ccc(CN3CCN(C)CC3)cc1)C[C@H](C)O2 ZINC000175770958 1427887210 /nfs/dbraw/zinc/88/72/10/1427887210.db2.gz JUWYBRZWIMWFNN-SFHVURJKSA-N 0 1 379.504 3.170 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1)C1CC1 ZINC000175774100 1427888327 /nfs/dbraw/zinc/88/83/27/1427888327.db2.gz IYEBVZVDQVFSEZ-GFCCVEGCSA-N 0 1 385.468 3.481 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1)C1CC1 ZINC000175774100 1427888331 /nfs/dbraw/zinc/88/83/31/1427888331.db2.gz IYEBVZVDQVFSEZ-GFCCVEGCSA-N 0 1 385.468 3.481 20 0 GGADMN Cc1ccc2c(c1)N(C(=O)c1cccc(CN3CCN(C)CC3)c1)C[C@H](C)O2 ZINC000175775212 1427888492 /nfs/dbraw/zinc/88/84/92/1427888492.db2.gz CZAOCOCJAJOXNO-SFHVURJKSA-N 0 1 379.504 3.170 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)cn1C ZINC000175776380 1427888901 /nfs/dbraw/zinc/88/89/01/1427888901.db2.gz PKBRWWPWBHEJJN-UHFFFAOYSA-N 0 1 390.383 3.107 20 0 GGADMN Cc1cc(S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)c(F)cc1F ZINC000175782531 1427890758 /nfs/dbraw/zinc/89/07/58/1427890758.db2.gz SAMRCAVGOCBZKD-UHFFFAOYSA-N 0 1 384.448 3.151 20 0 GGADMN OCC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000826509558 1427892512 /nfs/dbraw/zinc/89/25/12/1427892512.db2.gz YTQTYOGDIILARM-KRWDZBQOSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826509558 1427892522 /nfs/dbraw/zinc/89/25/22/1427892522.db2.gz YTQTYOGDIILARM-KRWDZBQOSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826509558 1427892530 /nfs/dbraw/zinc/89/25/30/1427892530.db2.gz YTQTYOGDIILARM-KRWDZBQOSA-N 0 1 393.491 3.040 20 0 GGADMN COc1cc([C@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)ccc1OCC(C)C ZINC000826177463 1427893455 /nfs/dbraw/zinc/89/34/55/1427893455.db2.gz JNISABJYESIHIX-AWEZNQCLSA-N 0 1 382.468 3.156 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CN1C1CC1 ZINC000175793860 1427895478 /nfs/dbraw/zinc/89/54/78/1427895478.db2.gz NCTMSZGJWNSTAP-GDBMZVCRSA-N 0 1 387.549 3.401 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CN1C1CC1 ZINC000175793876 1427895545 /nfs/dbraw/zinc/89/55/45/1427895545.db2.gz NCTMSZGJWNSTAP-GOEBONIOSA-N 0 1 387.549 3.401 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)cc2)c1 ZINC000175795245 1427896082 /nfs/dbraw/zinc/89/60/82/1427896082.db2.gz PBINLUKNDJDIOA-FUHWJXTLSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)cc2)cc1 ZINC000175797502 1427896512 /nfs/dbraw/zinc/89/65/12/1427896512.db2.gz YFPCNKMNRSMCDR-WMZOPIPTSA-N 0 1 393.487 3.467 20 0 GGADMN CN(CCNC(=O)NCc1nc(C(F)(F)F)cs1)Cc1ccc(F)cc1 ZINC000175800869 1427897500 /nfs/dbraw/zinc/89/75/00/1427897500.db2.gz NEFCNUUSURYGOJ-UHFFFAOYSA-N 0 1 390.406 3.232 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000175804844 1427899296 /nfs/dbraw/zinc/89/92/96/1427899296.db2.gz WAFYFEMAWVSVIA-GDBMZVCRSA-N 0 1 389.525 3.344 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C1 ZINC000175804844 1427899300 /nfs/dbraw/zinc/89/93/00/1427899300.db2.gz WAFYFEMAWVSVIA-GDBMZVCRSA-N 0 1 389.525 3.344 20 0 GGADMN Cc1csc([C@H](NC(=O)NCCN(C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000175817047 1427908016 /nfs/dbraw/zinc/90/80/16/1427908016.db2.gz QIXIFVGHRBOZPP-QGZVFWFLSA-N 0 1 376.501 3.473 20 0 GGADMN COCc1cccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175817459 1427908522 /nfs/dbraw/zinc/90/85/22/1427908522.db2.gz OYGNIFKTJWYCFE-OALUTQOASA-N 0 1 388.533 3.099 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2O)[nH]n1 ZINC000175818309 1427909450 /nfs/dbraw/zinc/90/94/50/1427909450.db2.gz YWJDGSIFNTZEDR-UHFFFAOYSA-N 0 1 379.342 3.404 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1cccs1)NCCCOC1CCCCC1 ZINC000175820643 1427910034 /nfs/dbraw/zinc/91/00/34/1427910034.db2.gz SWCCTSVMVYDZLR-MJGOQNOKSA-N 0 1 394.581 3.492 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@H](O)c1cccs1)NCCCOC1CCCCC1 ZINC000175820607 1427910183 /nfs/dbraw/zinc/91/01/83/1427910183.db2.gz SWCCTSVMVYDZLR-HKUYNNGSSA-N 0 1 394.581 3.492 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc4[nH]nnc4c3)C2)c1 ZINC000175827891 1427915222 /nfs/dbraw/zinc/91/52/22/1427915222.db2.gz WDUURIONQSVIHP-CQSZACIVSA-N 0 1 378.436 3.149 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000175831162 1427916420 /nfs/dbraw/zinc/91/64/20/1427916420.db2.gz NYXXCDRTBNRPQR-UHFFFAOYSA-N 0 1 397.504 3.146 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000175834650 1427918411 /nfs/dbraw/zinc/91/84/11/1427918411.db2.gz DZEPALWKJGBGFN-SJAGGWKPSA-N 0 1 393.491 3.104 20 0 GGADMN COCc1ccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175835852 1427919442 /nfs/dbraw/zinc/91/94/42/1427919442.db2.gz GAVCBAAZKHTKSL-OALUTQOASA-N 0 1 388.533 3.099 20 0 GGADMN O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175837463 1427920186 /nfs/dbraw/zinc/92/01/86/1427920186.db2.gz VUSRAEPKDLHDML-UHFFFAOYSA-N 0 1 386.536 3.264 20 0 GGADMN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(C2CCOCC2)CC1 ZINC000175838413 1427921440 /nfs/dbraw/zinc/92/14/40/1427921440.db2.gz VNZAJTZKEPPZFG-UHFFFAOYSA-N 0 1 378.472 3.247 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1cccs1)NCC1(c2ccccc2)CC1 ZINC000175840361 1427922075 /nfs/dbraw/zinc/92/20/75/1427922075.db2.gz DXGFPQCAGMRMOT-MOPGFXCFSA-N 0 1 384.545 3.484 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@H](O)c1cccs1)NCC1(c2ccccc2)CC1 ZINC000175840383 1427923154 /nfs/dbraw/zinc/92/31/54/1427923154.db2.gz DXGFPQCAGMRMOT-OALUTQOASA-N 0 1 384.545 3.484 20 0 GGADMN O=C(c1ccccc1COc1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175841816 1427923968 /nfs/dbraw/zinc/92/39/68/1427923968.db2.gz KMRHOVZMIQAQDD-UHFFFAOYSA-N 0 1 380.488 3.202 20 0 GGADMN O=C([C@H](Oc1ccccc1)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175842788 1427924975 /nfs/dbraw/zinc/92/49/75/1427924975.db2.gz DRIOIWOZIIFOFN-JOCHJYFZSA-N 0 1 380.488 3.130 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000175845386 1427926731 /nfs/dbraw/zinc/92/67/31/1427926731.db2.gz TVGBFQDDCFVCLB-DOTOQJQBSA-N 0 1 392.496 3.166 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(c4ccc(Cl)cn4)CC3)[nH]c21 ZINC000175845000 1427926786 /nfs/dbraw/zinc/92/67/86/1427926786.db2.gz ZGAVIRVCKPJTPC-UHFFFAOYSA-N 0 1 383.883 3.201 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1F ZINC000175845367 1427926839 /nfs/dbraw/zinc/92/68/39/1427926839.db2.gz TVGBFQDDCFVCLB-NVXWUHKLSA-N 0 1 392.496 3.166 20 0 GGADMN CCCn1c(C)c(C(=O)N2CCN(C3CCOCC3)CC2)c2cc(OC)ccc21 ZINC000175845852 1427927747 /nfs/dbraw/zinc/92/77/47/1427927747.db2.gz FYNZSMRMFPANLN-UHFFFAOYSA-N 0 1 399.535 3.305 20 0 GGADMN CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175846147 1427927966 /nfs/dbraw/zinc/92/79/66/1427927966.db2.gz HMDOKRKJZOVZFP-UZLBHIALSA-N 0 1 386.517 3.221 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC000175846761 1427928830 /nfs/dbraw/zinc/92/88/30/1427928830.db2.gz ORGHPTQMLXESBI-RDTXWAMCSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@@H](c1ccncc1)[NH+]1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824779806 1427929138 /nfs/dbraw/zinc/92/91/38/1427929138.db2.gz WUDDZHGAJPIGRJ-JTQLQIEISA-N 0 1 390.904 3.009 20 0 GGADMN COCc1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000175847699 1427929511 /nfs/dbraw/zinc/92/95/11/1427929511.db2.gz MVGKVNXAPFHSML-XLIONFOSSA-N 0 1 388.533 3.164 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000175847346 1427929787 /nfs/dbraw/zinc/92/97/87/1427929787.db2.gz ULFVTXBNFHRBLH-HOCLYGCPSA-N 0 1 379.913 3.066 20 0 GGADMN C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000175847860 1427929813 /nfs/dbraw/zinc/92/98/13/1427929813.db2.gz YIJZKYJOEOFMNY-GOEBONIOSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000175847842 1427929887 /nfs/dbraw/zinc/92/98/87/1427929887.db2.gz YIJZKYJOEOFMNY-GDBMZVCRSA-N 0 1 380.460 3.296 20 0 GGADMN Fc1cccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826376671 1427932909 /nfs/dbraw/zinc/93/29/09/1427932909.db2.gz NOLWJLDKNYOLKF-UHFFFAOYSA-N 0 1 391.454 3.295 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000175854092 1427934058 /nfs/dbraw/zinc/93/40/58/1427934058.db2.gz YAHWOUMBOQKSIC-MSOLQXFVSA-N 0 1 382.426 3.132 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000823675513 1427934247 /nfs/dbraw/zinc/93/42/47/1427934247.db2.gz XATDRXWLWIARQF-FUHWJXTLSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675513 1427934249 /nfs/dbraw/zinc/93/42/49/1427934249.db2.gz XATDRXWLWIARQF-FUHWJXTLSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675513 1427934251 /nfs/dbraw/zinc/93/42/51/1427934251.db2.gz XATDRXWLWIARQF-FUHWJXTLSA-N 0 1 399.520 3.285 20 0 GGADMN O=C(c1cccc(COc2cccc(F)c2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175854625 1427934568 /nfs/dbraw/zinc/93/45/68/1427934568.db2.gz NHNQOURHKRLNJR-UHFFFAOYSA-N 0 1 398.478 3.342 20 0 GGADMN C[C@H](NC(=O)CC[C@H]1CC[C@H](C)O1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000175855989 1427934777 /nfs/dbraw/zinc/93/47/77/1427934777.db2.gz QSCNIRLKLARNGD-XYJFISCASA-N 0 1 377.504 3.102 20 0 GGADMN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826191887 1427936256 /nfs/dbraw/zinc/93/62/56/1427936256.db2.gz SNOXQLMWCDVDSU-STQMWFEESA-N 0 1 385.443 3.305 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)c1ccc(F)cc1 ZINC000175859795 1427937255 /nfs/dbraw/zinc/93/72/55/1427937255.db2.gz GCBPSOMCSVSUDY-QMTYFTJSSA-N 0 1 381.448 3.127 20 0 GGADMN CC(C)COc1ccc(C(C)(C)C(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000175864139 1427940055 /nfs/dbraw/zinc/94/00/55/1427940055.db2.gz LDJGPFVBEMRYNH-UHFFFAOYSA-N 0 1 388.552 3.322 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)N1CCc2ccccc2C1 ZINC000175870993 1427944242 /nfs/dbraw/zinc/94/42/42/1427944242.db2.gz IXOYZQKGCIBVFD-ASHKIFAZSA-N 0 1 389.496 3.131 20 0 GGADMN C[C@@H]1CSCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825012342 1427947837 /nfs/dbraw/zinc/94/78/37/1427947837.db2.gz HNPQWMLDZMHMQZ-OAHLLOKOSA-N 0 1 381.505 3.383 20 0 GGADMN C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824938110 1427947869 /nfs/dbraw/zinc/94/78/69/1427947869.db2.gz SVJJLSVTBSCAKM-UZLBHIALSA-N 0 1 380.540 3.489 20 0 GGADMN O=C(NCc1cccc(Oc2ccccc2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175880895 1427949268 /nfs/dbraw/zinc/94/92/68/1427949268.db2.gz WVLLFKGAGPIPNN-HXUWFJFHSA-N 0 1 395.503 3.343 20 0 GGADMN CCCC[N@@H+](CCO)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825285153 1427950933 /nfs/dbraw/zinc/95/09/33/1427950933.db2.gz LGUSQNGYZBMPRF-UHFFFAOYSA-N 0 1 381.480 3.040 20 0 GGADMN CCCC[N@H+](CCO)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825285153 1427950937 /nfs/dbraw/zinc/95/09/37/1427950937.db2.gz LGUSQNGYZBMPRF-UHFFFAOYSA-N 0 1 381.480 3.040 20 0 GGADMN CCCC[N@@H+](CCO)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825285153 1427950942 /nfs/dbraw/zinc/95/09/42/1427950942.db2.gz LGUSQNGYZBMPRF-UHFFFAOYSA-N 0 1 381.480 3.040 20 0 GGADMN C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824649527 1427965563 /nfs/dbraw/zinc/96/55/63/1427965563.db2.gz NHQYZPOMAMOCRU-ZFWWWQNUSA-N 0 1 384.434 3.467 20 0 GGADMN C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824649527 1427965566 /nfs/dbraw/zinc/96/55/66/1427965566.db2.gz NHQYZPOMAMOCRU-ZFWWWQNUSA-N 0 1 384.434 3.467 20 0 GGADMN C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824649527 1427965570 /nfs/dbraw/zinc/96/55/70/1427965570.db2.gz NHQYZPOMAMOCRU-ZFWWWQNUSA-N 0 1 384.434 3.467 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@@H](C)c1c(F)cccc1Cl)N1CCN(C)CC1 ZINC000175916655 1427970325 /nfs/dbraw/zinc/97/03/25/1427970325.db2.gz FCCJDLSAMBOADX-WMLDXEAASA-N 0 1 384.927 3.111 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cnn(Cc3ccccn3)c2)N2CCCC2)o1 ZINC000175917992 1427970928 /nfs/dbraw/zinc/97/09/28/1427970928.db2.gz FADUXLYYYGJBTP-LJQANCHMSA-N 0 1 394.479 3.186 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000736267862 1427978469 /nfs/dbraw/zinc/97/84/69/1427978469.db2.gz PSIPFVZCCNZOJC-VXGBXAGGSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000736267862 1427978472 /nfs/dbraw/zinc/97/84/72/1427978472.db2.gz PSIPFVZCCNZOJC-VXGBXAGGSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000736267862 1427978477 /nfs/dbraw/zinc/97/84/77/1427978477.db2.gz PSIPFVZCCNZOJC-VXGBXAGGSA-N 0 1 393.948 3.069 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1 ZINC000175927650 1427978762 /nfs/dbraw/zinc/97/87/62/1427978762.db2.gz NUBDHMKNBNEJJF-UZTOHYMASA-N 0 1 391.512 3.007 20 0 GGADMN C[C@H](NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)c1nnc[nH]1 ZINC000175931346 1427980332 /nfs/dbraw/zinc/98/03/32/1427980332.db2.gz ZSVMGGGKVXHWDC-NSHDSACASA-N 0 1 381.461 3.098 20 0 GGADMN C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2)c1nnc[nH]1 ZINC000175931364 1427980361 /nfs/dbraw/zinc/98/03/61/1427980361.db2.gz ZSVMGGGKVXHWDC-LLVKDONJSA-N 0 1 381.461 3.098 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000175932210 1427980728 /nfs/dbraw/zinc/98/07/28/1427980728.db2.gz FCPIWXWSHRAHJB-WOJBJXKFSA-N 0 1 385.483 3.336 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000175932163 1427980912 /nfs/dbraw/zinc/98/09/12/1427980912.db2.gz FCPIWXWSHRAHJB-VQTJNVASSA-N 0 1 385.483 3.336 20 0 GGADMN O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826472606 1427982491 /nfs/dbraw/zinc/98/24/91/1427982491.db2.gz PWYGMERSAJUWMF-UHFFFAOYSA-N 0 1 388.475 3.056 20 0 GGADMN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3nnc4ccccc4c3O)cc2)n1 ZINC000175940747 1427985860 /nfs/dbraw/zinc/98/58/60/1427985860.db2.gz YGAXSWYMPYQBNX-OAHLLOKOSA-N 0 1 387.443 3.217 20 0 GGADMN C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530285 1427987103 /nfs/dbraw/zinc/98/71/03/1427987103.db2.gz KLZFKFHDHDWORW-LIRRHRJNSA-N 0 1 394.454 3.020 20 0 GGADMN Cc1cccn2c(=O)cc(CN3CC[C@@H](OCCCc4ccccc4)C3)nc12 ZINC000175949847 1427991415 /nfs/dbraw/zinc/99/14/15/1427991415.db2.gz KWTLTXMAXKCFBK-OAQYLSRUSA-N 0 1 377.488 3.227 20 0 GGADMN C[N@@H+](CCNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)Cc1ccc(F)cc1 ZINC000175954421 1427994843 /nfs/dbraw/zinc/99/48/43/1427994843.db2.gz WUZQJIHQLCGGQL-HXUWFJFHSA-N 0 1 389.446 3.180 20 0 GGADMN CN(CCNC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)Cc1ccc(F)cc1 ZINC000175954421 1427994849 /nfs/dbraw/zinc/99/48/49/1427994849.db2.gz WUZQJIHQLCGGQL-HXUWFJFHSA-N 0 1 389.446 3.180 20 0 GGADMN C1=CC[C@@]2(CC1)CCC[N@H+](Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)C2 ZINC000819718808 1427995284 /nfs/dbraw/zinc/99/52/84/1427995284.db2.gz QYKPFYPVNHBETA-HXUWFJFHSA-N 0 1 377.452 3.239 20 0 GGADMN C[C@H]1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820722389 1427995754 /nfs/dbraw/zinc/99/57/54/1427995754.db2.gz IISZPFKFURZMFC-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820722389 1427995759 /nfs/dbraw/zinc/99/57/59/1427995759.db2.gz IISZPFKFURZMFC-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820722389 1427995761 /nfs/dbraw/zinc/99/57/61/1427995761.db2.gz IISZPFKFURZMFC-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN Cn1cc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000175956455 1427996312 /nfs/dbraw/zinc/99/63/12/1427996312.db2.gz XRPXFLSGMRQOJB-UHFFFAOYSA-N 0 1 376.504 3.287 20 0 GGADMN O=c1[nH]c(CCN2CC[C@@H](OCCCc3ccccc3)C2)nc2ccccc21 ZINC000175956254 1427996434 /nfs/dbraw/zinc/99/64/34/1427996434.db2.gz AMUMTFWGRPNGIO-LJQANCHMSA-N 0 1 377.488 3.189 20 0 GGADMN O=C(CN1CC[C@H](OCCCc2ccccc2)C1)N1CCc2sccc2C1 ZINC000175960633 1427999531 /nfs/dbraw/zinc/99/95/31/1427999531.db2.gz FVOQLGLKPXEMCD-FQEVSTJZSA-N 0 1 384.545 3.357 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)CCOc3ccc(C(N)=O)cc3)cc2[nH]1 ZINC000175962231 1428000783 /nfs/dbraw/zinc/00/07/83/1428000783.db2.gz WYAZMGPJDOLVOL-UHFFFAOYSA-N 0 1 380.448 3.367 20 0 GGADMN COCCOc1ccc(CNC(=O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000175966992 1428002769 /nfs/dbraw/zinc/00/27/69/1428002769.db2.gz YLJLUVQZPDYIAK-UHFFFAOYSA-N 0 1 392.565 3.080 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(C(C)C)[nH]n1 ZINC000175968941 1428004457 /nfs/dbraw/zinc/00/44/57/1428004457.db2.gz UYJPMBSJMGQSDG-UHFFFAOYSA-N 0 1 386.500 3.328 20 0 GGADMN O=C(CN1CCSC2(CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000175969538 1428004517 /nfs/dbraw/zinc/00/45/17/1428004517.db2.gz OCKPCFXQELXTPX-UHFFFAOYSA-N 0 1 389.565 3.213 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4nc(C5CC5)oc4c3)cc12 ZINC000175972350 1428005784 /nfs/dbraw/zinc/00/57/84/1428005784.db2.gz QYEXEZQDVUZVQU-UHFFFAOYSA-N 0 1 383.433 3.096 20 0 GGADMN COc1ccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)nn1 ZINC000175975653 1428008627 /nfs/dbraw/zinc/00/86/27/1428008627.db2.gz FYGCDAZGDRQOPW-UHFFFAOYSA-N 0 1 380.492 3.146 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ncncc2Cl)c1 ZINC000176006483 1428023578 /nfs/dbraw/zinc/02/35/78/1428023578.db2.gz DIQGVLNFUHHCEE-UHFFFAOYSA-N 0 1 387.871 3.197 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1ccco1 ZINC000176013303 1428027788 /nfs/dbraw/zinc/02/77/88/1428027788.db2.gz XDAPYZJFHKSYQH-WOJBJXKFSA-N 0 1 385.508 3.354 20 0 GGADMN O=C(NCc1ccccc1Oc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176026280 1428034042 /nfs/dbraw/zinc/03/40/42/1428034042.db2.gz JFLDTMMFRVCMJN-IBGZPJMESA-N 0 1 395.503 3.343 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccccc1 ZINC000176038890 1428041180 /nfs/dbraw/zinc/04/11/80/1428041180.db2.gz STABYYZOCYDYAZ-IBGZPJMESA-N 0 1 399.466 3.115 20 0 GGADMN Cc1ccccc1CC(C)(C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176041720 1428043171 /nfs/dbraw/zinc/04/31/71/1428043171.db2.gz PEVNNPJETMTRIM-UHFFFAOYSA-N 0 1 382.508 3.298 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)ccc1F ZINC000176041096 1428043835 /nfs/dbraw/zinc/04/38/35/1428043835.db2.gz COYFBCHGPDRJNW-OAHLLOKOSA-N 0 1 378.473 3.013 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000176042489 1428044647 /nfs/dbraw/zinc/04/46/47/1428044647.db2.gz UABFUEQEOFKYBP-HXUWFJFHSA-N 0 1 394.519 3.476 20 0 GGADMN C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820818659 1428044890 /nfs/dbraw/zinc/04/48/90/1428044890.db2.gz AKBHJVIYGNCZKY-LBPRGKRZSA-N 0 1 398.417 3.093 20 0 GGADMN C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820818659 1428044897 /nfs/dbraw/zinc/04/48/97/1428044897.db2.gz AKBHJVIYGNCZKY-LBPRGKRZSA-N 0 1 398.417 3.093 20 0 GGADMN COc1ccc([C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C(C)C)cc1 ZINC000176043341 1428045082 /nfs/dbraw/zinc/04/50/82/1428045082.db2.gz ISFUDHSXZVYHAM-HXUWFJFHSA-N 0 1 398.507 3.375 20 0 GGADMN CC(=O)N1CC[C@@H](C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)C1 ZINC000176044381 1428046019 /nfs/dbraw/zinc/04/60/19/1428046019.db2.gz MFFVTRQVATXKMC-GFCCVEGCSA-N 0 1 384.386 3.315 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000176046276 1428047636 /nfs/dbraw/zinc/04/76/36/1428047636.db2.gz GWECLTSBFGYAJP-UHFFFAOYSA-N 0 1 388.899 3.207 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000176046347 1428047829 /nfs/dbraw/zinc/04/78/29/1428047829.db2.gz LODOOULXKPVVMG-UHFFFAOYSA-N 0 1 378.379 3.093 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(Sc2ccccc2)CC1 ZINC000176046602 1428048056 /nfs/dbraw/zinc/04/80/56/1428048056.db2.gz MTHOMJDBTHXVDS-UHFFFAOYSA-N 0 1 398.532 3.294 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCn1ccc2ccccc21 ZINC000176048000 1428048588 /nfs/dbraw/zinc/04/85/88/1428048588.db2.gz WIPPETBYJIBEGA-UHFFFAOYSA-N 0 1 393.491 3.014 20 0 GGADMN CC[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(OC)cc1 ZINC000176048391 1428048999 /nfs/dbraw/zinc/04/89/99/1428048999.db2.gz QGAAYVQBISTDHE-GOSISDBHSA-N 0 1 384.480 3.129 20 0 GGADMN CC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(OC)cc1 ZINC000176048374 1428049417 /nfs/dbraw/zinc/04/94/17/1428049417.db2.gz QGAAYVQBISTDHE-SFHVURJKSA-N 0 1 384.480 3.129 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCCCc1ccccc1 ZINC000176050028 1428049618 /nfs/dbraw/zinc/04/96/18/1428049618.db2.gz ZZNGHVNEIKRDHL-UHFFFAOYSA-N 0 1 382.508 3.382 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000176050164 1428050432 /nfs/dbraw/zinc/05/04/32/1428050432.db2.gz KZTLTVPIPYUOIY-UHFFFAOYSA-N 0 1 386.471 3.086 20 0 GGADMN COc1ccc(C(=O)CCC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1F ZINC000176050166 1428050975 /nfs/dbraw/zinc/05/09/75/1428050975.db2.gz HOCRLLMWJWJPBO-MRXNPFEDSA-N 0 1 386.467 3.434 20 0 GGADMN Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176052432 1428052175 /nfs/dbraw/zinc/05/21/75/1428052175.db2.gz PDDDTPFSDPGLRG-INIZCTEOSA-N 0 1 398.507 3.053 20 0 GGADMN Cc1cccc2c(CCNC(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c[nH]c21 ZINC000176054391 1428053655 /nfs/dbraw/zinc/05/36/55/1428053655.db2.gz ICHTXJPMAITIKV-UHFFFAOYSA-N 0 1 393.491 3.001 20 0 GGADMN CCC(CC)[C@@H]([NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccccc1 ZINC000736336614 1428054120 /nfs/dbraw/zinc/05/41/20/1428054120.db2.gz DXVYBFZXVODMFC-GOSISDBHSA-N 0 1 376.468 3.177 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1ccco1 ZINC000176056068 1428055312 /nfs/dbraw/zinc/05/53/12/1428055312.db2.gz ZQIODVJMJCXOAX-KRWDZBQOSA-N 0 1 390.459 3.325 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000176058473 1428057409 /nfs/dbraw/zinc/05/74/09/1428057409.db2.gz LIMBFRLUUILVHG-MRXNPFEDSA-N 0 1 384.505 3.206 20 0 GGADMN COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176058572 1428057701 /nfs/dbraw/zinc/05/77/01/1428057701.db2.gz GMMXLZPCOWNIFO-AWEZNQCLSA-N 0 1 384.480 3.081 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176059949 1428058896 /nfs/dbraw/zinc/05/88/96/1428058896.db2.gz MLACRNZLQABCQO-DNVCBOLYSA-N 0 1 380.492 3.257 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176059965 1428058992 /nfs/dbraw/zinc/05/89/92/1428058992.db2.gz MLACRNZLQABCQO-HNAYVOBHSA-N 0 1 380.492 3.257 20 0 GGADMN Cc1ccc(NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1OC(F)F ZINC000176059900 1428059333 /nfs/dbraw/zinc/05/93/33/1428059333.db2.gz NCLSCXFGNOWILE-UHFFFAOYSA-N 0 1 392.406 3.401 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964973 1428060645 /nfs/dbraw/zinc/06/06/45/1428060645.db2.gz VOBCPGIYEZQRRZ-LJQANCHMSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964973 1428060649 /nfs/dbraw/zinc/06/06/49/1428060649.db2.gz VOBCPGIYEZQRRZ-LJQANCHMSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964973 1428060655 /nfs/dbraw/zinc/06/06/55/1428060655.db2.gz VOBCPGIYEZQRRZ-LJQANCHMSA-N 0 1 394.454 3.042 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000176078665 1428071282 /nfs/dbraw/zinc/07/12/82/1428071282.db2.gz KSGJHAVDIQSGBH-AEFFLSMTSA-N 0 1 399.457 3.348 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000176084517 1428073367 /nfs/dbraw/zinc/07/33/67/1428073367.db2.gz PVFWCHGOZKNLEV-CYBMUJFWSA-N 0 1 396.413 3.011 20 0 GGADMN CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735595269 1428076140 /nfs/dbraw/zinc/07/61/40/1428076140.db2.gz FHGDJOGGDDBWJL-ZIAGYGMSSA-N 0 1 376.530 3.451 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000737243940 1428079618 /nfs/dbraw/zinc/07/96/18/1428079618.db2.gz CWKRXNJVIXWHOH-CQSZACIVSA-N 0 1 387.488 3.080 20 0 GGADMN CCc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)nnn1-c1cccc(Cl)c1 ZINC000176110937 1428089082 /nfs/dbraw/zinc/08/90/82/1428089082.db2.gz JEKNYVMIEOABOR-UHFFFAOYSA-N 0 1 398.829 3.429 20 0 GGADMN CCOc1cn(-c2ccccc2)nc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176110812 1428089223 /nfs/dbraw/zinc/08/92/23/1428089223.db2.gz ZMOFWKYXAWZYPI-UHFFFAOYSA-N 0 1 379.395 3.216 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569790 1428090263 /nfs/dbraw/zinc/09/02/63/1428090263.db2.gz KFIDHBBXKKMQIZ-BEFAXECRSA-N 0 1 395.507 3.255 20 0 GGADMN CCCCC1CCC(NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)CC1 ZINC000176114406 1428090625 /nfs/dbraw/zinc/09/06/25/1428090625.db2.gz ZVNINIKEGYOBOP-UHFFFAOYSA-N 0 1 399.421 3.191 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825212900 1428091032 /nfs/dbraw/zinc/09/10/32/1428091032.db2.gz URFJUEPPZNSHJI-IUODEOHRSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554061 1428091295 /nfs/dbraw/zinc/09/12/95/1428091295.db2.gz MEKRVWJFUGMROR-SMDDNHRTSA-N 0 1 388.397 3.214 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000176116249 1428091976 /nfs/dbraw/zinc/09/19/76/1428091976.db2.gz OZCZKXAAICEPJS-UHFFFAOYSA-N 0 1 396.535 3.018 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000176121177 1428095746 /nfs/dbraw/zinc/09/57/46/1428095746.db2.gz QABNHXPPGJELCK-TZMCWYRMSA-N 0 1 390.459 3.402 20 0 GGADMN CC(C)c1nc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1-c1cccc(F)c1 ZINC000176125613 1428099248 /nfs/dbraw/zinc/09/92/48/1428099248.db2.gz HGJAEBXEVSQZDP-UHFFFAOYSA-N 0 1 396.401 3.475 20 0 GGADMN Cc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176127147 1428100062 /nfs/dbraw/zinc/10/00/62/1428100062.db2.gz ZRSWJAQXFVTDQH-IBGZPJMESA-N 0 1 383.467 3.196 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176127259 1428100657 /nfs/dbraw/zinc/10/06/57/1428100657.db2.gz HZTFIVFNXNLHDO-LJQANCHMSA-N 0 1 395.503 3.147 20 0 GGADMN NC(=O)c1ccc(OCCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000176127328 1428100957 /nfs/dbraw/zinc/10/09/57/1428100957.db2.gz NCNDVDLIXBMKBC-UHFFFAOYSA-N 0 1 390.399 3.329 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000176127345 1428101055 /nfs/dbraw/zinc/10/10/55/1428101055.db2.gz LKCXALPYKBFQEJ-LJQANCHMSA-N 0 1 397.544 3.470 20 0 GGADMN COc1ccc(C)cc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176129147 1428101682 /nfs/dbraw/zinc/10/16/82/1428101682.db2.gz DTNYQTCDDXFTGU-IBGZPJMESA-N 0 1 395.503 3.065 20 0 GGADMN Cc1ccc(F)c(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000176128419 1428101746 /nfs/dbraw/zinc/10/17/46/1428101746.db2.gz HESZOSICKZIJMA-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000176129101 1428101882 /nfs/dbraw/zinc/10/18/82/1428101882.db2.gz FHVLILVPFDBFIS-IBGZPJMESA-N 0 1 383.467 3.196 20 0 GGADMN COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000176128560 1428101917 /nfs/dbraw/zinc/10/19/17/1428101917.db2.gz BKMTWFAOTZSTHW-LJQANCHMSA-N 0 1 395.503 3.065 20 0 GGADMN COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c(C)c1 ZINC000176128572 1428102364 /nfs/dbraw/zinc/10/23/64/1428102364.db2.gz BKMTWFAOTZSTHW-IBGZPJMESA-N 0 1 395.503 3.065 20 0 GGADMN CSc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000176129252 1428102401 /nfs/dbraw/zinc/10/24/01/1428102401.db2.gz VAAFSVKDXSUFDL-LJQANCHMSA-N 0 1 397.544 3.470 20 0 GGADMN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1F ZINC000176129471 1428103036 /nfs/dbraw/zinc/10/30/36/1428103036.db2.gz MDSPDLVOZWDBLA-IBGZPJMESA-N 0 1 383.467 3.196 20 0 GGADMN Cc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176129846 1428103288 /nfs/dbraw/zinc/10/32/88/1428103288.db2.gz CJSHRSIDWOLJJB-LJQANCHMSA-N 0 1 383.467 3.196 20 0 GGADMN CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000176129378 1428103597 /nfs/dbraw/zinc/10/35/97/1428103597.db2.gz JOZLBSPTYFTAGZ-HXUWFJFHSA-N 0 1 395.503 3.147 20 0 GGADMN Cc1ccc(C)n1-c1nc(CC(=O)NCc2nc3ccc(F)cc3[nH]2)cs1 ZINC000176130105 1428104354 /nfs/dbraw/zinc/10/43/54/1428104354.db2.gz QMUNDPGHKNAUSU-UHFFFAOYSA-N 0 1 383.452 3.425 20 0 GGADMN CCSc1ccc([C@H](C)NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000176130807 1428104721 /nfs/dbraw/zinc/10/47/21/1428104721.db2.gz YPWBACVGHRXABX-DLBZAZTESA-N 0 1 377.554 3.223 20 0 GGADMN c1c2c([nH+]c(N3CCC(OC4CCCCC4)CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826511973 1428105918 /nfs/dbraw/zinc/10/59/18/1428105918.db2.gz KTHJZQYLHOUPGK-UHFFFAOYSA-N 0 1 382.512 3.459 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCCCC[C@H]1c1ccco1 ZINC000176133247 1428106021 /nfs/dbraw/zinc/10/60/21/1428106021.db2.gz GOFMTHGTIWIMGH-INIZCTEOSA-N 0 1 383.473 3.422 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176132382 1428106169 /nfs/dbraw/zinc/10/61/69/1428106169.db2.gz ASFZYZQBZNZUES-UHFFFAOYSA-N 0 1 382.439 3.246 20 0 GGADMN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176135602 1428109492 /nfs/dbraw/zinc/10/94/92/1428109492.db2.gz QMTCMNLTULNJQB-UZLBHIALSA-N 0 1 375.488 3.031 20 0 GGADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176135586 1428109528 /nfs/dbraw/zinc/10/95/28/1428109528.db2.gz QMTCMNLTULNJQB-OXQOHEQNSA-N 0 1 375.488 3.031 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1Cc1ccccc1 ZINC000176138330 1428111159 /nfs/dbraw/zinc/11/11/59/1428111159.db2.gz CEQMZGZQKNAAIP-UHFFFAOYSA-N 0 1 377.423 3.228 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H](C3CCCC3)C(F)(F)F)c2)CC1 ZINC000176138302 1428111220 /nfs/dbraw/zinc/11/12/20/1428111220.db2.gz MPJAKJBTQOBYLO-GOSISDBHSA-N 0 1 383.458 3.285 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cccc(C[NH+]2CCCCC2)c1 ZINC000823747228 1428120875 /nfs/dbraw/zinc/12/08/75/1428120875.db2.gz DKYMHSYBGFPWME-UHFFFAOYSA-N 0 1 388.479 3.112 20 0 GGADMN COc1ccc(CCNC(=O)CCc2nc3cccc(C)c3[nH]2)c(OC)c1OC ZINC000176157193 1428125688 /nfs/dbraw/zinc/12/56/88/1428125688.db2.gz RWYCLCRBKNFOAA-UHFFFAOYSA-N 0 1 397.475 3.189 20 0 GGADMN CN(C[C@@H]1CCOC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000176164356 1428131094 /nfs/dbraw/zinc/13/10/94/1428131094.db2.gz FYPHCLYZBMVDKJ-KRWDZBQOSA-N 0 1 379.932 3.230 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3nccs3)c2C1 ZINC000176167339 1428133328 /nfs/dbraw/zinc/13/33/28/1428133328.db2.gz NACBPJWNXDARJK-AWEZNQCLSA-N 0 1 386.521 3.100 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)n[nH]1 ZINC000176168496 1428134256 /nfs/dbraw/zinc/13/42/56/1428134256.db2.gz WVUJOUMHAFCIEY-HZPDHXFCSA-N 0 1 397.479 3.481 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)n1 ZINC000176168496 1428134271 /nfs/dbraw/zinc/13/42/71/1428134271.db2.gz WVUJOUMHAFCIEY-HZPDHXFCSA-N 0 1 397.479 3.481 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCCc3nnc(-c4ccccc4)o3)[nH]c21 ZINC000176178678 1428143870 /nfs/dbraw/zinc/14/38/70/1428143870.db2.gz YCZUHEJRBRWREF-UHFFFAOYSA-N 0 1 375.432 3.213 20 0 GGADMN CC[N@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000821170276 1428143795 /nfs/dbraw/zinc/14/37/95/1428143795.db2.gz OXGJRTXHTUVDHA-UHFFFAOYSA-N 0 1 384.509 3.314 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000821170276 1428143798 /nfs/dbraw/zinc/14/37/98/1428143798.db2.gz OXGJRTXHTUVDHA-UHFFFAOYSA-N 0 1 384.509 3.314 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420776 1428143860 /nfs/dbraw/zinc/14/38/60/1428143860.db2.gz WXEJOYGVAYHEPV-RHSMWYFYSA-N 0 1 386.500 3.307 20 0 GGADMN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)N2CCCC2)o1 ZINC000826284279 1428150749 /nfs/dbraw/zinc/15/07/49/1428150749.db2.gz ORSLSBKJPUCGFK-KDOFPFPSSA-N 0 1 384.459 3.395 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000737032624 1428154562 /nfs/dbraw/zinc/15/45/62/1428154562.db2.gz MVMAYIBBWVUJNB-APWZRJJASA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000737032624 1428154569 /nfs/dbraw/zinc/15/45/69/1428154569.db2.gz MVMAYIBBWVUJNB-APWZRJJASA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000737032624 1428154580 /nfs/dbraw/zinc/15/45/80/1428154580.db2.gz MVMAYIBBWVUJNB-APWZRJJASA-N 0 1 393.491 3.380 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)cc1-c1nn[n-]n1 ZINC000826202712 1428156362 /nfs/dbraw/zinc/15/63/62/1428156362.db2.gz JTBJADZFRJVBGE-SFHVURJKSA-N 0 1 379.464 3.496 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCCc1nc2c(s1)CCCC2 ZINC000176194775 1428158057 /nfs/dbraw/zinc/15/80/57/1428158057.db2.gz ADJXXYUANBBEQS-UHFFFAOYSA-N 0 1 386.593 3.377 20 0 GGADMN CCCCc1nc2ccc(NC(=O)c3cc(S(=O)(=O)NC)cs3)cc2[nH]1 ZINC000176196781 1428159739 /nfs/dbraw/zinc/15/97/39/1428159739.db2.gz SGKIUSAMCSPCBI-UHFFFAOYSA-N 0 1 392.506 3.127 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176198025 1428160537 /nfs/dbraw/zinc/16/05/37/1428160537.db2.gz XWCCPSOBUDITLY-DOTOQJQBSA-N 0 1 399.457 3.000 20 0 GGADMN CN1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000826030015 1428160539 /nfs/dbraw/zinc/16/05/39/1428160539.db2.gz ZPSCIHSPAQPXGF-CABCVRRESA-N 0 1 390.278 3.426 20 0 GGADMN C[N@@H+]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000826030015 1428160540 /nfs/dbraw/zinc/16/05/40/1428160540.db2.gz ZPSCIHSPAQPXGF-CABCVRRESA-N 0 1 390.278 3.426 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000826030015 1428160542 /nfs/dbraw/zinc/16/05/42/1428160542.db2.gz ZPSCIHSPAQPXGF-CABCVRRESA-N 0 1 390.278 3.426 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176198036 1428160559 /nfs/dbraw/zinc/16/05/59/1428160559.db2.gz XWCCPSOBUDITLY-NVXWUHKLSA-N 0 1 399.457 3.000 20 0 GGADMN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1nnc[nH]1 ZINC000176206988 1428167505 /nfs/dbraw/zinc/16/75/05/1428167505.db2.gz BIXRMZVPWYYWSK-SECBINFHSA-N 0 1 391.262 3.277 20 0 GGADMN COc1ccc(C(=O)CCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1F ZINC000176207003 1428167954 /nfs/dbraw/zinc/16/79/54/1428167954.db2.gz BMCYDVVHFKICCP-UHFFFAOYSA-N 0 1 387.386 3.172 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000176210526 1428169886 /nfs/dbraw/zinc/16/98/86/1428169886.db2.gz VMVCVUFXALJBGN-RYUDHWBXSA-N 0 1 399.421 3.047 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736349356 1428170597 /nfs/dbraw/zinc/17/05/97/1428170597.db2.gz GCNLNGUDWAGIPB-KRWDZBQOSA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736349356 1428170603 /nfs/dbraw/zinc/17/06/03/1428170603.db2.gz GCNLNGUDWAGIPB-KRWDZBQOSA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736349356 1428170607 /nfs/dbraw/zinc/17/06/07/1428170607.db2.gz GCNLNGUDWAGIPB-KRWDZBQOSA-N 0 1 378.480 3.148 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCOc3ccc(C(N)=O)cc3)[nH]c2c1 ZINC000176211652 1428170965 /nfs/dbraw/zinc/17/09/65/1428170965.db2.gz TVWIKUBREKVGFP-LJQANCHMSA-N 0 1 392.459 3.103 20 0 GGADMN C[C@H](NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)c1nnc[nH]1 ZINC000176218904 1428173716 /nfs/dbraw/zinc/17/37/16/1428173716.db2.gz UMXMKAAVAFRTFA-NSHDSACASA-N 0 1 387.490 3.088 20 0 GGADMN COCCN(C(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(OC)c(OC)c1 ZINC000176224205 1428176704 /nfs/dbraw/zinc/17/67/04/1428176704.db2.gz LFPDXBRSQDLNGZ-UHFFFAOYSA-N 0 1 387.461 3.449 20 0 GGADMN COCCN(C(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(OC)c(OC)c1 ZINC000176224056 1428176950 /nfs/dbraw/zinc/17/69/50/1428176950.db2.gz QLPHMPPOGFNUAS-UHFFFAOYSA-N 0 1 385.420 3.289 20 0 GGADMN CNS(=O)(=O)c1csc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000176228541 1428180067 /nfs/dbraw/zinc/18/00/67/1428180067.db2.gz GMQODQJWKPDOCM-UHFFFAOYSA-N 0 1 390.490 3.052 20 0 GGADMN CC1(C)CN(C(=O)CSc2n[nH]c(=S)s2)CCN1Cc1ccccc1 ZINC000176234790 1428182868 /nfs/dbraw/zinc/18/28/68/1428182868.db2.gz ZNLUHKQNUHXAQX-UHFFFAOYSA-N 0 1 394.591 3.416 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736322537 1428183616 /nfs/dbraw/zinc/18/36/16/1428183616.db2.gz LKKGLZZRELFVPO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)[N@H+](C)CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322537 1428183620 /nfs/dbraw/zinc/18/36/20/1428183620.db2.gz LKKGLZZRELFVPO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322537 1428183622 /nfs/dbraw/zinc/18/36/22/1428183622.db2.gz LKKGLZZRELFVPO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736322537 1428183627 /nfs/dbraw/zinc/18/36/27/1428183627.db2.gz LKKGLZZRELFVPO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322537 1428183630 /nfs/dbraw/zinc/18/36/30/1428183630.db2.gz LKKGLZZRELFVPO-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCS[C@@H]2CCCC[C@H]21 ZINC000176236762 1428184859 /nfs/dbraw/zinc/18/48/59/1428184859.db2.gz BOEWZOAIHOCJRT-HZPDHXFCSA-N 0 1 389.546 3.336 20 0 GGADMN CN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)C2(CCCCC2)C1 ZINC000176242857 1428190068 /nfs/dbraw/zinc/19/00/68/1428190068.db2.gz WFMBNQYVKZQLHN-UHFFFAOYSA-N 0 1 391.512 3.395 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000176243743 1428190180 /nfs/dbraw/zinc/19/01/80/1428190180.db2.gz NMYQUTJYJZZRRP-RXVVDRJESA-N 0 1 388.556 3.004 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000176243729 1428190499 /nfs/dbraw/zinc/19/04/99/1428190499.db2.gz NMYQUTJYJZZRRP-GHTZIAJQSA-N 0 1 388.556 3.004 20 0 GGADMN CC[C@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000176245676 1428192072 /nfs/dbraw/zinc/19/20/72/1428192072.db2.gz VEDZZLHOJQJJEF-AWEZNQCLSA-N 0 1 385.430 3.212 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](c3ncccc3C)C(C)C)C2=O)c1 ZINC000176246454 1428192117 /nfs/dbraw/zinc/19/21/17/1428192117.db2.gz OMNXPHDZYOCOCV-WOJBJXKFSA-N 0 1 383.492 3.499 20 0 GGADMN O=C(CN1C[C@@H]2CCC[C@H]2C1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000176261836 1428204255 /nfs/dbraw/zinc/20/42/55/1428204255.db2.gz HLHKNGQUUIAPRL-GJZGRUSLSA-N 0 1 397.441 3.212 20 0 GGADMN Cc1ncc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c(C)n1 ZINC000180193561 1429794677 /nfs/dbraw/zinc/79/46/77/1429794677.db2.gz IPNSYRHIWNPBKO-UHFFFAOYSA-N 0 1 382.445 3.147 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000824817246 1429802588 /nfs/dbraw/zinc/80/25/88/1429802588.db2.gz MLACTTBWTVYSAQ-QFIPXVFZSA-N 0 1 387.491 3.359 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@H+](Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000824817246 1429802595 /nfs/dbraw/zinc/80/25/95/1429802595.db2.gz MLACTTBWTVYSAQ-QFIPXVFZSA-N 0 1 387.491 3.359 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000824817246 1429802601 /nfs/dbraw/zinc/80/26/01/1429802601.db2.gz MLACTTBWTVYSAQ-QFIPXVFZSA-N 0 1 387.491 3.359 20 0 GGADMN O=C1C[C@@H](NCc2cnn(-c3ccc(F)cc3)c2)CN1c1c(F)cccc1F ZINC000180215687 1429803874 /nfs/dbraw/zinc/80/38/74/1429803874.db2.gz GBWKCEPKGDAGOA-OAHLLOKOSA-N 0 1 386.377 3.185 20 0 GGADMN O=C1C[C@H](NCc2cnn(-c3ccc(F)cc3)c2)CN1c1c(F)cccc1F ZINC000180215701 1429804055 /nfs/dbraw/zinc/80/40/55/1429804055.db2.gz GBWKCEPKGDAGOA-HNNXBMFYSA-N 0 1 386.377 3.185 20 0 GGADMN CCC[C@H]1CN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1CCOC ZINC000180221348 1429806172 /nfs/dbraw/zinc/80/61/72/1429806172.db2.gz GFSVOLNKJSXCIZ-QFBILLFUSA-N 0 1 397.922 3.017 20 0 GGADMN CC(C)(O)CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1 ZINC000180220889 1429806282 /nfs/dbraw/zinc/80/62/82/1429806282.db2.gz KONZSGJSQCBOQJ-UHFFFAOYSA-N 0 1 391.533 3.132 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000180223312 1429806656 /nfs/dbraw/zinc/80/66/56/1429806656.db2.gz ZSNZNTXGYJPGOJ-UHFFFAOYSA-N 0 1 392.330 3.217 20 0 GGADMN CC(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)CC(C)(C)O ZINC000180224128 1429807104 /nfs/dbraw/zinc/80/71/04/1429807104.db2.gz GNWFXYOTJFKYQK-UHFFFAOYSA-N 0 1 397.519 3.036 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000180224148 1429807131 /nfs/dbraw/zinc/80/71/31/1429807131.db2.gz MRQAFPSYHOQVIK-CVDCTZTESA-N 0 1 393.531 3.222 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180229666 1429809070 /nfs/dbraw/zinc/80/90/70/1429809070.db2.gz KSQDQXGYFMXWSA-INIZCTEOSA-N 0 1 379.508 3.421 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180229682 1429809081 /nfs/dbraw/zinc/80/90/81/1429809081.db2.gz KSQDQXGYFMXWSA-MRXNPFEDSA-N 0 1 379.508 3.421 20 0 GGADMN C[C@H](CCO)N(CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccccc1 ZINC000180232163 1429809919 /nfs/dbraw/zinc/80/99/19/1429809919.db2.gz RMJRLVMRNKMDJZ-LJQANCHMSA-N 0 1 396.535 3.284 20 0 GGADMN COCCOCCN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180234443 1429810192 /nfs/dbraw/zinc/81/01/92/1429810192.db2.gz GHCZLOFHLCEKGD-IBGZPJMESA-N 0 1 397.924 3.086 20 0 GGADMN CS(=O)(=O)CCOCCNCc1c(Cl)cccc1Oc1ccccc1 ZINC000180248190 1429814273 /nfs/dbraw/zinc/81/42/73/1429814273.db2.gz BCXOZSOHTVIOIU-UHFFFAOYSA-N 0 1 383.897 3.283 20 0 GGADMN COc1cc(S(=O)(=O)Nc2ccnc(Cl)c2)ccc1Br ZINC000180249391 1429814758 /nfs/dbraw/zinc/81/47/58/1429814758.db2.gz ZRHFZSQGUAVYQT-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccnc(Cl)c2)c1 ZINC000180251868 1429815253 /nfs/dbraw/zinc/81/52/53/1429815253.db2.gz NUQIKGPUBQXHMW-UHFFFAOYSA-N 0 1 390.690 3.364 20 0 GGADMN CCN(C(=O)Cc1ccc(NC(=O)N[C@H](C)c2nnc[nH]2)cc1)c1ccccc1 ZINC000180257175 1429816920 /nfs/dbraw/zinc/81/69/20/1429816920.db2.gz WQXXVTGUOMNORQ-OAHLLOKOSA-N 0 1 392.463 3.283 20 0 GGADMN O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCC[C@@H]1CN1CCCCC1 ZINC000180260279 1429817659 /nfs/dbraw/zinc/81/76/59/1429817659.db2.gz TYSGYOVXXNIBPF-SNVBAGLBSA-N 0 1 398.397 3.021 20 0 GGADMN O=C(CCCCNC(=O)c1cccc(-c2nnc[nH]2)c1)OCc1ccccc1 ZINC000180268260 1429819675 /nfs/dbraw/zinc/81/96/75/1429819675.db2.gz JLQJHULXIMTZHT-UHFFFAOYSA-N 0 1 378.432 3.115 20 0 GGADMN COc1ccc(CN(C(=O)CCc2nc[nH]n2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000180272186 1429820719 /nfs/dbraw/zinc/82/07/19/1429820719.db2.gz YINBEANCPJXGPO-DOTOQJQBSA-N 0 1 386.496 3.362 20 0 GGADMN Cc1ccccc1[C@@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000826306736 1429821881 /nfs/dbraw/zinc/82/18/81/1429821881.db2.gz JRRRRXIDFKXPKM-IBGZPJMESA-N 0 1 376.464 3.027 20 0 GGADMN CN(Cc1ncc(Cl)n1C)Cn1ccc(=O)c2cccc(Br)c21 ZINC000180284811 1429824613 /nfs/dbraw/zinc/82/46/13/1429824613.db2.gz SCFXBKRYCLQFSJ-UHFFFAOYSA-N 0 1 395.688 3.240 20 0 GGADMN Cc1ccc2c(CC(=O)N3CCC(CCCN4CCOCC4)CC3)c[nH]c2c1 ZINC000180286215 1429825040 /nfs/dbraw/zinc/82/50/40/1429825040.db2.gz PONKAOAQPOHYHU-UHFFFAOYSA-N 0 1 383.536 3.370 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180288399 1429825644 /nfs/dbraw/zinc/82/56/44/1429825644.db2.gz JVZGVALCTBYONH-LJQANCHMSA-N 0 1 388.552 3.225 20 0 GGADMN O=C(c1ccccc1OCC1CC1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180290529 1429826307 /nfs/dbraw/zinc/82/63/07/1429826307.db2.gz SHUQVDSQLNSGNR-UHFFFAOYSA-N 0 1 386.536 3.440 20 0 GGADMN CC[C@H](C)Oc1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccn1 ZINC000180292244 1429827001 /nfs/dbraw/zinc/82/70/01/1429827001.db2.gz WXXCFOCNSLPDQV-SFHVURJKSA-N 0 1 389.540 3.224 20 0 GGADMN CC[C@@H](C)Oc1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccn1 ZINC000180292230 1429827045 /nfs/dbraw/zinc/82/70/45/1429827045.db2.gz WXXCFOCNSLPDQV-GOSISDBHSA-N 0 1 389.540 3.224 20 0 GGADMN O=C([C@H]1C[C@@]12CCc1ccccc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000180297763 1429828773 /nfs/dbraw/zinc/82/87/73/1429828773.db2.gz ZRNXABXXENFPDA-ISKFKSNPSA-N 0 1 382.548 3.242 20 0 GGADMN CC(C)(C(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000180298427 1429828847 /nfs/dbraw/zinc/82/88/47/1429828847.db2.gz AJHJLPBCOAHPLB-UHFFFAOYSA-N 0 1 376.516 3.454 20 0 GGADMN O=C([C@H]1C[C@]12CCc1ccccc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000180297781 1429828880 /nfs/dbraw/zinc/82/88/80/1429828880.db2.gz ZRNXABXXENFPDA-VWNXMTODSA-N 0 1 382.548 3.242 20 0 GGADMN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180298790 1429829126 /nfs/dbraw/zinc/82/91/26/1429829126.db2.gz UBEURSNDSGAUKQ-UHFFFAOYSA-N 0 1 396.535 3.145 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N1CCCCC1 ZINC000180300096 1429829625 /nfs/dbraw/zinc/82/96/25/1429829625.db2.gz ATQRPADKMZNOKV-IIBYNOLFSA-N 0 1 389.515 3.164 20 0 GGADMN CCOc1ncc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1Cl ZINC000180301905 1429829992 /nfs/dbraw/zinc/82/99/92/1429829992.db2.gz RSLAWSLIIKYAEX-UHFFFAOYSA-N 0 1 395.931 3.098 20 0 GGADMN O=C(c1ccc(-n2cccc2)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180303766 1429830642 /nfs/dbraw/zinc/83/06/42/1429830642.db2.gz APRVEXZKEWTVDZ-UHFFFAOYSA-N 0 1 381.520 3.442 20 0 GGADMN O=C(CCC(=O)N1CCC(CCCN2CCOCC2)CC1)c1cccs1 ZINC000180303944 1429830805 /nfs/dbraw/zinc/83/08/05/1429830805.db2.gz MOSVWUAQIJPHAO-UHFFFAOYSA-N 0 1 378.538 3.062 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000180305101 1429830916 /nfs/dbraw/zinc/83/09/16/1429830916.db2.gz KIJXEFQZFTZLTH-HXUWFJFHSA-N 0 1 393.491 3.410 20 0 GGADMN CCC(CC)n1nccc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180305049 1429830947 /nfs/dbraw/zinc/83/09/47/1429830947.db2.gz VGZNDBFIEIBWEM-UHFFFAOYSA-N 0 1 376.545 3.209 20 0 GGADMN O=c1cc(CN[C@H](COc2ccccc2F)c2ccccc2)[nH]c2ccnn21 ZINC000180307549 1429831790 /nfs/dbraw/zinc/83/17/90/1429831790.db2.gz VVNMBJYBMLKTPX-GOSISDBHSA-N 0 1 378.407 3.072 20 0 GGADMN O=C(Cc1c[nH]c2ccc(F)cc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000180308634 1429832077 /nfs/dbraw/zinc/83/20/77/1429832077.db2.gz TVTHEVGWLXQPAG-UHFFFAOYSA-N 0 1 387.499 3.201 20 0 GGADMN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180310005 1429832461 /nfs/dbraw/zinc/83/24/61/1429832461.db2.gz PXLPYDAPDJFRDT-QGZVFWFLSA-N 0 1 394.943 3.458 20 0 GGADMN C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180309987 1429832492 /nfs/dbraw/zinc/83/24/92/1429832492.db2.gz PXLPYDAPDJFRDT-KRWDZBQOSA-N 0 1 394.943 3.458 20 0 GGADMN CCSc1cc(C(=O)N2CCC(CCCN3CCOCC3)CC2)ccn1 ZINC000180309276 1429832546 /nfs/dbraw/zinc/83/25/46/1429832546.db2.gz SIYOIXITOPSQEL-UHFFFAOYSA-N 0 1 377.554 3.158 20 0 GGADMN CC(C)(C(=O)N1CCC(CCCN2CCOCC2)CC1)c1cccc(F)c1 ZINC000180308704 1429832553 /nfs/dbraw/zinc/83/25/53/1429832553.db2.gz FJSQECQAAWGCKA-UHFFFAOYSA-N 0 1 376.516 3.454 20 0 GGADMN COc1ccc(CCCC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180312622 1429833630 /nfs/dbraw/zinc/83/36/30/1429833630.db2.gz LQIDGUTUQRGWRT-UHFFFAOYSA-N 0 1 388.552 3.369 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC ZINC000180313328 1429833829 /nfs/dbraw/zinc/83/38/29/1429833829.db2.gz FSQXIQMRPVUNNY-FUHWJXTLSA-N 0 1 386.492 3.429 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000180316111 1429834850 /nfs/dbraw/zinc/83/48/50/1429834850.db2.gz FXIMVOCYFSPWNU-QZTJIDSGSA-N 0 1 391.512 3.182 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2CCO)N2CCCCC2)cc1 ZINC000180317424 1429834935 /nfs/dbraw/zinc/83/49/35/1429834935.db2.gz LMFLVRCSQXSKPW-TZIWHRDSSA-N 0 1 389.540 3.169 20 0 GGADMN CN(C)[C@H](CNC(=O)N(Cc1ccccc1)CC(C)(C)O)c1cccc(F)c1 ZINC000180321636 1429835800 /nfs/dbraw/zinc/83/58/00/1429835800.db2.gz HJXQPXSNHMFAGW-HXUWFJFHSA-N 0 1 387.499 3.411 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](COc2ccccc2F)c2ccccc2)n(C)n1 ZINC000180327240 1429837002 /nfs/dbraw/zinc/83/70/02/1429837002.db2.gz LYFSALPTBPEOJZ-SFHVURJKSA-N 0 1 382.439 3.216 20 0 GGADMN COc1ccc(COc2cccc(F)c2)cc1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000180332565 1429837876 /nfs/dbraw/zinc/83/78/76/1429837876.db2.gz MXVFNAWFNHYYLZ-LBPRGKRZSA-N 0 1 385.399 3.414 20 0 GGADMN COc1ccc(-n2nc(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2C)cc1 ZINC000180333100 1429838188 /nfs/dbraw/zinc/83/81/88/1429838188.db2.gz GMMXVJNCEQOOPH-UHFFFAOYSA-N 0 1 379.395 3.135 20 0 GGADMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cn(-c2ccccc2)nc1C ZINC000180347789 1429842005 /nfs/dbraw/zinc/84/20/05/1429842005.db2.gz APZYGTZTOPCFHJ-UHFFFAOYSA-N 0 1 385.445 3.077 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC[C@@H]1CCO ZINC000180353135 1429843568 /nfs/dbraw/zinc/84/35/68/1429843568.db2.gz USNKVAYYSROSAV-MOPGFXCFSA-N 0 1 379.932 3.423 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC[C@@H]1CCO ZINC000180353118 1429843682 /nfs/dbraw/zinc/84/36/82/1429843682.db2.gz USNKVAYYSROSAV-RTBURBONSA-N 0 1 379.932 3.423 20 0 GGADMN CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccccc3C(N)=O)oc21 ZINC000180355977 1429844746 /nfs/dbraw/zinc/84/47/46/1429844746.db2.gz ZWBZILRZZFOBSP-CYBMUJFWSA-N 0 1 381.432 3.220 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180359246 1429845558 /nfs/dbraw/zinc/84/55/58/1429845558.db2.gz JDCBFJJUXCOSMK-HXUWFJFHSA-N 0 1 398.482 3.398 20 0 GGADMN CCOc1cccc2cc([C@H](C)NCC(=O)NC(=O)NCc3ccco3)oc21 ZINC000180358673 1429845637 /nfs/dbraw/zinc/84/56/37/1429845637.db2.gz JVHKITARMWXQFR-ZDUSSCGKSA-N 0 1 385.420 3.101 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)OCCn3c4ccccc4oc3=O)[nH]2)c1 ZINC000180380465 1429851752 /nfs/dbraw/zinc/85/17/52/1429851752.db2.gz YXOYNPVLMNVXAI-UHFFFAOYSA-N 0 1 393.399 3.159 20 0 GGADMN Cc1cc(C)cc(C2=CCN(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)CC2)c1 ZINC000180388535 1429853614 /nfs/dbraw/zinc/85/36/14/1429853614.db2.gz DWZOWNNKHWTMIX-HSZRJFAPSA-N 0 1 398.595 3.374 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000180411381 1429861327 /nfs/dbraw/zinc/86/13/27/1429861327.db2.gz AVFMVAYYNZROCY-UHFFFAOYSA-N 0 1 379.382 3.200 20 0 GGADMN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180415111 1429862694 /nfs/dbraw/zinc/86/26/94/1429862694.db2.gz SVAAMVAGBNBSEY-CQSZACIVSA-N 0 1 387.480 3.481 20 0 GGADMN COc1ccnc(N2CCN(C(=O)C3(c4ccc(F)cc4F)CCC3)CC2)c1 ZINC000180418004 1429863387 /nfs/dbraw/zinc/86/33/87/1429863387.db2.gz SOYAKOQRRSUHRL-UHFFFAOYSA-N 0 1 387.430 3.139 20 0 GGADMN Cn1cc(C(=O)NCC2CCN(Cc3ccc(Oc4ccccc4)o3)CC2)cn1 ZINC000180427113 1429866754 /nfs/dbraw/zinc/86/67/54/1429866754.db2.gz RVVLEZXFDWEGBM-UHFFFAOYSA-N 0 1 394.475 3.447 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCCC[C@H]1CCO)N1CCCCC1 ZINC000180427605 1429866925 /nfs/dbraw/zinc/86/69/25/1429866925.db2.gz GUTMFQCKMDKYAD-ICSRJNTNSA-N 0 1 389.540 3.169 20 0 GGADMN CN(CC(=O)Nc1ccccc1NCC1CCCCC1)c1ncnc2[nH]cnc21 ZINC000180428421 1429866940 /nfs/dbraw/zinc/86/69/40/1429866940.db2.gz LNAVOOBRXKMTOO-UHFFFAOYSA-N 0 1 393.495 3.420 20 0 GGADMN Cc1cc(Br)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180433531 1429868277 /nfs/dbraw/zinc/86/82/77/1429868277.db2.gz BDAFOXRARIAWIN-CABCVRRESA-N 0 1 390.343 3.251 20 0 GGADMN Cc1ccoc1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000180438814 1429869891 /nfs/dbraw/zinc/86/98/91/1429869891.db2.gz LYWANZUCGAQRPM-UHFFFAOYSA-N 0 1 376.210 3.416 20 0 GGADMN Cc1ccoc1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000180438814 1429869892 /nfs/dbraw/zinc/86/98/92/1429869892.db2.gz LYWANZUCGAQRPM-UHFFFAOYSA-N 0 1 376.210 3.416 20 0 GGADMN Cc1ccccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306108 1429870516 /nfs/dbraw/zinc/87/05/16/1429870516.db2.gz QHMYUXXKFUFYHU-QGZVFWFLSA-N 0 1 376.508 3.490 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccccc1 ZINC000180442572 1429870661 /nfs/dbraw/zinc/87/06/61/1429870661.db2.gz KGIYDTFAVMUTSV-CBQGHPETSA-N 0 1 391.515 3.070 20 0 GGADMN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000735756756 1429874493 /nfs/dbraw/zinc/87/44/93/1429874493.db2.gz QMFNNZGJSARWLS-HXUWFJFHSA-N 0 1 388.516 3.286 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NC[C@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471517 1429877087 /nfs/dbraw/zinc/87/70/87/1429877087.db2.gz ZIHJQMCQCXVHNS-FYYLOGMGSA-N 0 1 395.524 3.373 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NC[C@@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471572 1429877344 /nfs/dbraw/zinc/87/73/44/1429877344.db2.gz ZIHJQMCQCXVHNS-GMAHTHKFSA-N 0 1 395.524 3.373 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NC[C@@H](O)Cc2ccccc2)c2ccccc2)c1 ZINC000180471555 1429877519 /nfs/dbraw/zinc/87/75/19/1429877519.db2.gz ZIHJQMCQCXVHNS-JTHBVZDNSA-N 0 1 395.524 3.373 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC ZINC000180484882 1429880269 /nfs/dbraw/zinc/88/02/69/1429880269.db2.gz FWOMTJQJDYKYMX-ZBFHGGJFSA-N 0 1 376.522 3.363 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1OC ZINC000180492693 1429881614 /nfs/dbraw/zinc/88/16/14/1429881614.db2.gz WHHLXGNZYLQZEZ-BEFAXECRSA-N 0 1 388.483 3.441 20 0 GGADMN CCCOc1cccc(CN2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c1 ZINC000180496048 1429882309 /nfs/dbraw/zinc/88/23/09/1429882309.db2.gz OKUFQFRKBSAJPO-QGZVFWFLSA-N 0 1 388.512 3.274 20 0 GGADMN COc1ccc(CN(C(=O)CN2CCC[C@H]2c2c(C)n[nH]c2C)C2CC2)cc1 ZINC000180508122 1429885499 /nfs/dbraw/zinc/88/54/99/1429885499.db2.gz UFFFTTYCNUGVMY-FQEVSTJZSA-N 0 1 382.508 3.363 20 0 GGADMN CCOC(=O)c1sc2nc(CN(C)CCc3cccs3)nc(N)c2c1C ZINC000180519606 1429888276 /nfs/dbraw/zinc/88/82/76/1429888276.db2.gz RIUWXRDXGXZNLX-UHFFFAOYSA-N 0 1 390.534 3.495 20 0 GGADMN COc1cc(CN2CC[C@H](NC(=O)Cc3c(C)cccc3C)C2)cc(OC)c1 ZINC000180530934 1429891330 /nfs/dbraw/zinc/89/13/30/1429891330.db2.gz WVRAARGWSCXPTD-IBGZPJMESA-N 0 1 382.504 3.254 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1ccccc1 ZINC000180544719 1429894334 /nfs/dbraw/zinc/89/43/34/1429894334.db2.gz RARHWEXSZKAIKZ-IBGZPJMESA-N 0 1 390.505 3.207 20 0 GGADMN COC(=O)c1oc([C@H](C)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1C ZINC000180561141 1429898102 /nfs/dbraw/zinc/89/81/02/1429898102.db2.gz GVOIFVBRMMIGHP-INIZCTEOSA-N 0 1 394.512 3.079 20 0 GGADMN CN(Cc1ccncc1)c1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000821615936 1429900381 /nfs/dbraw/zinc/90/03/81/1429900381.db2.gz VKBBLFOERUJJLU-UHFFFAOYSA-N 0 1 383.362 3.048 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 ZINC000180573214 1429903209 /nfs/dbraw/zinc/90/32/09/1429903209.db2.gz UMUBEPWOTXPXNL-SFHVURJKSA-N 0 1 397.519 3.064 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCCCC1 ZINC000820357595 1429904600 /nfs/dbraw/zinc/90/46/00/1429904600.db2.gz IFSAYQDVLMKFJT-VQIMIIECSA-N 0 1 399.543 3.128 20 0 GGADMN COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000826192026 1429906249 /nfs/dbraw/zinc/90/62/49/1429906249.db2.gz XJDFSHDJSFPEIP-MRXNPFEDSA-N 0 1 397.479 3.464 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000180577380 1429906588 /nfs/dbraw/zinc/90/65/88/1429906588.db2.gz AUPJTULZFOCPAX-OALUTQOASA-N 0 1 394.581 3.176 20 0 GGADMN Cc1cccnc1CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000180577942 1429908050 /nfs/dbraw/zinc/90/80/50/1429908050.db2.gz PJESXZSYFHWNAB-OAHLLOKOSA-N 0 1 379.460 3.204 20 0 GGADMN Cc1cccnc1CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000180577920 1429908390 /nfs/dbraw/zinc/90/83/90/1429908390.db2.gz PJESXZSYFHWNAB-HNNXBMFYSA-N 0 1 379.460 3.204 20 0 GGADMN Cc1cccc(C(NCC(=O)N2CCC3(CC2)OCCO3)c2cccc(C)c2)c1 ZINC000180581275 1429910971 /nfs/dbraw/zinc/91/09/71/1429910971.db2.gz HXFRMFYIJSCVAM-UHFFFAOYSA-N 0 1 394.515 3.348 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)o1 ZINC000820676379 1429913934 /nfs/dbraw/zinc/91/39/34/1429913934.db2.gz MMNDNFKWNKAIKY-UPRAQXHNSA-N 0 1 379.464 3.281 20 0 GGADMN COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1 ZINC000826218671 1429915850 /nfs/dbraw/zinc/91/58/50/1429915850.db2.gz INKGEPXAVIANRT-JXFKEZNVSA-N 0 1 392.507 3.363 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCCC[C@@H]1CCO ZINC000180589668 1429916069 /nfs/dbraw/zinc/91/60/69/1429916069.db2.gz SIAMYCHTMDEIPJ-QZTJIDSGSA-N 0 1 399.457 3.226 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCCC[C@@H]1CCO ZINC000180589648 1429916287 /nfs/dbraw/zinc/91/62/87/1429916287.db2.gz SIAMYCHTMDEIPJ-ZWKOTPCHSA-N 0 1 399.457 3.226 20 0 GGADMN CS[C@H](CO)[C@H](C)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180591936 1429918207 /nfs/dbraw/zinc/91/82/07/1429918207.db2.gz YNAICNHLTVAADW-CWFSZBLJSA-N 0 1 393.574 3.190 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000180591995 1429918272 /nfs/dbraw/zinc/91/82/72/1429918272.db2.gz OTELAWNWQLIDTN-QGZVFWFLSA-N 0 1 397.519 3.058 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1OC ZINC000180596206 1429921202 /nfs/dbraw/zinc/92/12/02/1429921202.db2.gz LBUMPFXZRCQDRY-DNVCBOLYSA-N 0 1 388.483 3.441 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC(C)(C)c4ccccc43)C2)CC1 ZINC000180598674 1429923366 /nfs/dbraw/zinc/92/33/66/1429923366.db2.gz ODWMXVCVHJIHKN-WOJBJXKFSA-N 0 1 398.595 3.263 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737648657 1429924490 /nfs/dbraw/zinc/92/44/90/1429924490.db2.gz INXLYSGZICINFW-NSHDSACASA-N 0 1 395.364 3.127 20 0 GGADMN CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825193133 1429925839 /nfs/dbraw/zinc/92/58/39/1429925839.db2.gz KQTRMFUKQNFTAH-STQMWFEESA-N 0 1 388.541 3.399 20 0 GGADMN CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825193133 1429925842 /nfs/dbraw/zinc/92/58/42/1429925842.db2.gz KQTRMFUKQNFTAH-STQMWFEESA-N 0 1 388.541 3.399 20 0 GGADMN CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825193133 1429925845 /nfs/dbraw/zinc/92/58/45/1429925845.db2.gz KQTRMFUKQNFTAH-STQMWFEESA-N 0 1 388.541 3.399 20 0 GGADMN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604278 1429927161 /nfs/dbraw/zinc/92/71/61/1429927161.db2.gz DVIYQXTXPRLKLR-GFCCVEGCSA-N 0 1 397.372 3.407 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3cn(-c4ccccc4)nc3C)CC2)n1 ZINC000180605525 1429928838 /nfs/dbraw/zinc/92/88/38/1429928838.db2.gz DEUCBHHXVWBZAI-UHFFFAOYSA-N 0 1 392.507 3.082 20 0 GGADMN C[C@H](NCC(=O)NC1CCOCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180606966 1429929584 /nfs/dbraw/zinc/92/95/84/1429929584.db2.gz CEDJAXSJHGDHIN-HNNXBMFYSA-N 0 1 399.466 3.024 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cc(C(F)(F)F)ccn1 ZINC000180611789 1429932164 /nfs/dbraw/zinc/93/21/64/1429932164.db2.gz AUVRETJSLBPLSX-UHFFFAOYSA-N 0 1 394.378 3.128 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000737410903 1429935534 /nfs/dbraw/zinc/93/55/34/1429935534.db2.gz VRDKUHWXNWQAHG-GOSISDBHSA-N 0 1 390.422 3.440 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c(C(F)(F)F)c1 ZINC000180620134 1429937029 /nfs/dbraw/zinc/93/70/29/1429937029.db2.gz KVNHZNOERQFSAZ-INIZCTEOSA-N 0 1 386.418 3.468 20 0 GGADMN CC[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc2c(c1)OCCO2 ZINC000180622276 1429937699 /nfs/dbraw/zinc/93/76/99/1429937699.db2.gz YASZHZRJHDVDRQ-MRXNPFEDSA-N 0 1 385.851 3.360 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826253445 1429939111 /nfs/dbraw/zinc/93/91/11/1429939111.db2.gz QRKQDKOQUPWHNW-IBGZPJMESA-N 0 1 391.475 3.131 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000826253445 1429939116 /nfs/dbraw/zinc/93/91/16/1429939116.db2.gz QRKQDKOQUPWHNW-IBGZPJMESA-N 0 1 391.475 3.131 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826253445 1429939120 /nfs/dbraw/zinc/93/91/20/1429939120.db2.gz QRKQDKOQUPWHNW-IBGZPJMESA-N 0 1 391.475 3.131 20 0 GGADMN Oc1ccc(C2CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823727056 1429940294 /nfs/dbraw/zinc/94/02/94/1429940294.db2.gz LXIQAHDFQUAVME-UHFFFAOYSA-N 0 1 379.464 3.221 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000180636368 1429946607 /nfs/dbraw/zinc/94/66/07/1429946607.db2.gz JBJTZGVEUPRAFU-UHFFFAOYSA-N 0 1 383.492 3.029 20 0 GGADMN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000180639345 1429948567 /nfs/dbraw/zinc/94/85/67/1429948567.db2.gz KXRGZYGMMKLLTD-OALUTQOASA-N 0 1 379.932 3.144 20 0 GGADMN CCc1nc(NC(=O)CN[C@H](CC)c2ccc3c(c2)OCCO3)sc1C ZINC000180640954 1429949034 /nfs/dbraw/zinc/94/90/34/1429949034.db2.gz IRQCGCLXDFHIGE-OAHLLOKOSA-N 0 1 375.494 3.465 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@H](CC)c2ccc3c(c2)OCCO3)s1 ZINC000180641228 1429949330 /nfs/dbraw/zinc/94/93/30/1429949330.db2.gz HDEFSPYLYZVQLN-CQSZACIVSA-N 0 1 390.509 3.331 20 0 GGADMN C[C@H](NC(=O)Nc1cccc(COCCOc2ccccc2)c1)c1nnc[nH]1 ZINC000180644918 1429951815 /nfs/dbraw/zinc/95/18/15/1429951815.db2.gz KHSCDVZPGQAPHQ-HNNXBMFYSA-N 0 1 381.436 3.283 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000825435429 1429953512 /nfs/dbraw/zinc/95/35/12/1429953512.db2.gz XTNMIODZTGUEBY-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1ccc(F)cc1 ZINC000825435429 1429953513 /nfs/dbraw/zinc/95/35/13/1429953513.db2.gz XTNMIODZTGUEBY-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1ccc(F)cc1 ZINC000825435429 1429953516 /nfs/dbraw/zinc/95/35/16/1429953516.db2.gz XTNMIODZTGUEBY-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN CCOc1c(Cl)cc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180648394 1429953827 /nfs/dbraw/zinc/95/38/27/1429953827.db2.gz ILQUUDIKTKPIGW-QAPCUYQASA-N 0 1 393.915 3.426 20 0 GGADMN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180648572 1429954529 /nfs/dbraw/zinc/95/45/29/1429954529.db2.gz SAUHHOUNYYJFER-LPHOPBHVSA-N 0 1 385.899 3.205 20 0 GGADMN CCOc1cccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1OC(F)F ZINC000180648493 1429954767 /nfs/dbraw/zinc/95/47/67/1429954767.db2.gz QALICTDACIKKST-PBHICJAKSA-N 0 1 395.450 3.366 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000180654047 1429958326 /nfs/dbraw/zinc/95/83/26/1429958326.db2.gz HOFSJPSMRVITST-FQEVSTJZSA-N 0 1 386.540 3.363 20 0 GGADMN CC(C)c1ccc(CCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735923596 1429959512 /nfs/dbraw/zinc/95/95/12/1429959512.db2.gz NDUOHNDJWOAXKN-UHFFFAOYSA-N 0 1 375.480 3.360 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000180657790 1429960055 /nfs/dbraw/zinc/96/00/55/1429960055.db2.gz PNKRUSDHRPDKQK-PKOBYXMFSA-N 0 1 375.513 3.357 20 0 GGADMN CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000180665356 1429963962 /nfs/dbraw/zinc/96/39/62/1429963962.db2.gz CHGOEVPAWZFXLZ-MSOLQXFVSA-N 0 1 397.519 3.496 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@H]2COC3(CCCCC3)O2)N2CCCC2)o1 ZINC000180667256 1429965292 /nfs/dbraw/zinc/96/52/92/1429965292.db2.gz HUOOGOBHMUSDEX-ROUUACIJSA-N 0 1 391.512 3.100 20 0 GGADMN Cc1ccc([C@@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)[NH+]2CCOCC2)cc1 ZINC000737320836 1429966431 /nfs/dbraw/zinc/96/64/31/1429966431.db2.gz WIHHGOKVZISKEN-LJQANCHMSA-N 0 1 398.898 3.314 20 0 GGADMN CCc1nsc(N2CCCN(Cc3cn(C)nc3-c3cccs3)CC2)n1 ZINC000180672454 1429967811 /nfs/dbraw/zinc/96/78/11/1429967811.db2.gz VFWBUWPPIBUQOZ-UHFFFAOYSA-N 0 1 388.566 3.275 20 0 GGADMN CC[C@H](CSC)N(C)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000180681897 1429973919 /nfs/dbraw/zinc/97/39/19/1429973919.db2.gz SQMNWHIIPYIBGD-LJQANCHMSA-N 0 1 388.581 3.238 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000180684548 1429975997 /nfs/dbraw/zinc/97/59/97/1429975997.db2.gz BFFKSBONWYSCMR-HXUWFJFHSA-N 0 1 375.513 3.296 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000825961616 1429978965 /nfs/dbraw/zinc/97/89/65/1429978965.db2.gz JXDUMVALNSUACJ-UHFFFAOYSA-N 0 1 395.467 3.241 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000825961616 1429978970 /nfs/dbraw/zinc/97/89/70/1429978970.db2.gz JXDUMVALNSUACJ-UHFFFAOYSA-N 0 1 395.467 3.241 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000180693214 1429980605 /nfs/dbraw/zinc/98/06/05/1429980605.db2.gz DSQGYTJBWOQAFZ-KRWDZBQOSA-N 0 1 395.503 3.179 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000180696265 1429982380 /nfs/dbraw/zinc/98/23/80/1429982380.db2.gz XXKRITUCAOBTEU-GFCCVEGCSA-N 0 1 387.505 3.024 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)NCCc2cnn(-c3ccccc3)c2)c1 ZINC000180697351 1429983500 /nfs/dbraw/zinc/98/35/00/1429983500.db2.gz LSGVGWAQFUIPQR-GOSISDBHSA-N 0 1 392.503 3.281 20 0 GGADMN C[N@@H+](CCNC(=O)N(Cc1ccccc1)CC(C)(C)O)Cc1ccc(F)cc1 ZINC000180698527 1429985166 /nfs/dbraw/zinc/98/51/66/1429985166.db2.gz YLCPTZRNRURKKH-UHFFFAOYSA-N 0 1 387.499 3.240 20 0 GGADMN CN(CCNC(=O)N(Cc1ccccc1)CC(C)(C)O)Cc1ccc(F)cc1 ZINC000180698527 1429985171 /nfs/dbraw/zinc/98/51/71/1429985171.db2.gz YLCPTZRNRURKKH-UHFFFAOYSA-N 0 1 387.499 3.240 20 0 GGADMN Cc1cc(F)ccc1-n1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1 ZINC000180706239 1429989189 /nfs/dbraw/zinc/98/91/89/1429989189.db2.gz BBTOGNZOBPWEES-UHFFFAOYSA-N 0 1 381.386 3.308 20 0 GGADMN O=C([N-]CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)C(F)(F)F ZINC000180706932 1429990058 /nfs/dbraw/zinc/99/00/58/1429990058.db2.gz QWXDVXXQQBJTSL-KBPBESRZSA-N 0 1 378.460 3.485 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)C(F)(F)F ZINC000180706932 1429990059 /nfs/dbraw/zinc/99/00/59/1429990059.db2.gz QWXDVXXQQBJTSL-KBPBESRZSA-N 0 1 378.460 3.485 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000180708787 1429990815 /nfs/dbraw/zinc/99/08/15/1429990815.db2.gz CYZRGOZECYNVGT-KRWDZBQOSA-N 0 1 399.457 3.255 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000180713460 1429994455 /nfs/dbraw/zinc/99/44/55/1429994455.db2.gz RHGJKCSFDFXOCZ-KRWDZBQOSA-N 0 1 383.492 3.141 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000180716742 1429997528 /nfs/dbraw/zinc/99/75/28/1429997528.db2.gz MOSRJISTESZTBF-HRAATJIYSA-N 0 1 386.467 3.475 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000180718195 1429998594 /nfs/dbraw/zinc/99/85/94/1429998594.db2.gz ODGRJYVLZWAUGI-HNNXBMFYSA-N 0 1 381.476 3.267 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000180718176 1429998669 /nfs/dbraw/zinc/99/86/69/1429998669.db2.gz ODGRJYVLZWAUGI-OAHLLOKOSA-N 0 1 381.476 3.267 20 0 GGADMN Cc1ccc(S(=O)(=O)CCCSc2nc(-c3ccccc3O)n[nH]2)cc1 ZINC000180725182 1430002495 /nfs/dbraw/zinc/00/24/95/1430002495.db2.gz BEMGGTDBPTVOHL-UHFFFAOYSA-N 0 1 389.502 3.442 20 0 GGADMN COC(=O)c1oc([C@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1C ZINC000180739693 1430010696 /nfs/dbraw/zinc/01/06/96/1430010696.db2.gz OHXRDJPPQKEOCR-AWEZNQCLSA-N 0 1 386.448 3.492 20 0 GGADMN c1ccc2c(C[NH+]3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)ccnc2c1 ZINC000826522718 1430011173 /nfs/dbraw/zinc/01/11/73/1430011173.db2.gz LOPHEGYKUIXTJY-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN CC(C)Cc1nc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cs1 ZINC000180744858 1430013885 /nfs/dbraw/zinc/01/38/85/1430013885.db2.gz QYXHFXMHCXTACV-UHFFFAOYSA-N 0 1 379.570 3.306 20 0 GGADMN CCCCOc1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736464143 1430015459 /nfs/dbraw/zinc/01/54/59/1430015459.db2.gz WOBHBYNZEKTDAF-UHFFFAOYSA-N 0 1 391.479 3.026 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)c2)o1 ZINC000180747389 1430015569 /nfs/dbraw/zinc/01/55/69/1430015569.db2.gz IGZOJMCNHBPCNS-UHFFFAOYSA-N 0 1 398.507 3.010 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC000824548628 1430021091 /nfs/dbraw/zinc/02/10/91/1430021091.db2.gz YKKVGFUEYXTUDF-DAYGRLMNSA-N 0 1 380.471 3.492 20 0 GGADMN CC[NH+](CC)CCCC1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000180760127 1430023038 /nfs/dbraw/zinc/02/30/38/1430023038.db2.gz JUHOWOLXJWBDQO-UHFFFAOYSA-N 0 1 390.572 3.350 20 0 GGADMN N#Cc1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ncc1Br ZINC000180759861 1430023091 /nfs/dbraw/zinc/02/30/91/1430023091.db2.gz CANRPDCMNBXEDS-UHFFFAOYSA-N 0 1 390.262 3.445 20 0 GGADMN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC3CCN(Cc4ccncc4)CC3)c2c1 ZINC000180760546 1430023600 /nfs/dbraw/zinc/02/36/00/1430023600.db2.gz NBUPRLOKLJCAJQ-UHFFFAOYSA-N 0 1 394.450 3.177 20 0 GGADMN CCc1cc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c2ccccc2[nH+]1 ZINC000825700659 1430024767 /nfs/dbraw/zinc/02/47/67/1430024767.db2.gz OHGIBIVLPULVHV-UHFFFAOYSA-N 0 1 396.458 3.401 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180764289 1430025757 /nfs/dbraw/zinc/02/57/57/1430025757.db2.gz CWZOXYPSZDXIHJ-LBPRGKRZSA-N 0 1 390.365 3.221 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180764305 1430025996 /nfs/dbraw/zinc/02/59/96/1430025996.db2.gz CWZOXYPSZDXIHJ-GFCCVEGCSA-N 0 1 390.365 3.221 20 0 GGADMN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(Br)c1 ZINC000180766727 1430027625 /nfs/dbraw/zinc/02/76/25/1430027625.db2.gz GWLXCFFDRADANV-PELKAZGASA-N 0 1 383.183 3.402 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000736198859 1430027678 /nfs/dbraw/zinc/02/76/78/1430027678.db2.gz VINWRAFMCJLIKI-HNNXBMFYSA-N 0 1 382.512 3.089 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000180769837 1430029148 /nfs/dbraw/zinc/02/91/48/1430029148.db2.gz YJNMNQQIVRGDMC-HNAYVOBHSA-N 0 1 381.451 3.409 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000180769904 1430029609 /nfs/dbraw/zinc/02/96/09/1430029609.db2.gz YJNMNQQIVRGDMC-BEFAXECRSA-N 0 1 381.451 3.409 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOC2=O)cc1 ZINC000180770255 1430029763 /nfs/dbraw/zinc/02/97/63/1430029763.db2.gz UFPGKEGZEBPXSG-KDOFPFPSSA-N 0 1 383.423 3.238 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOC2=O)cc1 ZINC000180770184 1430029953 /nfs/dbraw/zinc/02/99/53/1430029953.db2.gz UFPGKEGZEBPXSG-KBXCAEBGSA-N 0 1 383.423 3.238 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000180772873 1430031043 /nfs/dbraw/zinc/03/10/43/1430031043.db2.gz HGUGFGZEQFKVGR-KBXCAEBGSA-N 0 1 383.423 3.238 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000180773344 1430031745 /nfs/dbraw/zinc/03/17/45/1430031745.db2.gz YPWVKJFZVXZNGP-IUODEOHRSA-N 0 1 377.485 3.236 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000180773402 1430031786 /nfs/dbraw/zinc/03/17/86/1430031786.db2.gz YPWVKJFZVXZNGP-WFASDCNBSA-N 0 1 377.485 3.236 20 0 GGADMN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000180773825 1430031802 /nfs/dbraw/zinc/03/18/02/1430031802.db2.gz RQBKOSNBVRLDRZ-HNNXBMFYSA-N 0 1 394.454 3.335 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000180782273 1430035572 /nfs/dbraw/zinc/03/55/72/1430035572.db2.gz UNDLFHSRLPKOED-IBGZPJMESA-N 0 1 398.511 3.037 20 0 GGADMN Cn1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)c(-c2ccccc2)n1 ZINC000180791663 1430042237 /nfs/dbraw/zinc/04/22/37/1430042237.db2.gz UWVKPVMEHXDJCJ-LJQANCHMSA-N 0 1 393.491 3.316 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1cccs1 ZINC000180791122 1430042394 /nfs/dbraw/zinc/04/23/94/1430042394.db2.gz NYZWJJLACKOBGB-KRWDZBQOSA-N 0 1 383.521 3.251 20 0 GGADMN CC(C)n1ccc(C[C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000824457740 1430042552 /nfs/dbraw/zinc/04/25/52/1430042552.db2.gz RHDLCJYTQFTIDJ-OAHLLOKOSA-N 0 1 385.541 3.098 20 0 GGADMN O=C(NCc1cccc(Cl)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180793478 1430042991 /nfs/dbraw/zinc/04/29/91/1430042991.db2.gz DYTVHQPTMNHWDD-UHFFFAOYSA-N 0 1 379.932 3.374 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000180797924 1430046612 /nfs/dbraw/zinc/04/66/12/1430046612.db2.gz OGMHFMPZSPRLTH-LPHOPBHVSA-N 0 1 390.915 3.402 20 0 GGADMN CC(C)(C)S(=O)(=O)CCN[C@H]1CCCOc2c(Br)cccc21 ZINC000180805182 1430050895 /nfs/dbraw/zinc/05/08/95/1430050895.db2.gz UJAMMXQWUYNVBP-AWEZNQCLSA-N 0 1 390.343 3.466 20 0 GGADMN C[C@@H](c1cccnc1)N(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000180806055 1430051223 /nfs/dbraw/zinc/05/12/23/1430051223.db2.gz KTVZMFKSPMNNAU-KRWDZBQOSA-N 0 1 384.549 3.262 20 0 GGADMN c1ccc([C@@H]2C[N@@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)CCS2)cc1 ZINC000738428976 1430052270 /nfs/dbraw/zinc/05/22/70/1430052270.db2.gz QTCQLJZGUJZTNH-IBGZPJMESA-N 0 1 381.505 3.426 20 0 GGADMN c1ccc([C@@H]2C[N@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)CCS2)cc1 ZINC000738428976 1430052281 /nfs/dbraw/zinc/05/22/81/1430052281.db2.gz QTCQLJZGUJZTNH-IBGZPJMESA-N 0 1 381.505 3.426 20 0 GGADMN c1ccc([C@@H]2C[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)CCS2)cc1 ZINC000738428976 1430052290 /nfs/dbraw/zinc/05/22/90/1430052290.db2.gz QTCQLJZGUJZTNH-IBGZPJMESA-N 0 1 381.505 3.426 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)c(OC)c1 ZINC000180815110 1430055325 /nfs/dbraw/zinc/05/53/25/1430055325.db2.gz NYULVKMKDHQXPY-HNNXBMFYSA-N 0 1 380.448 3.179 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC(Cn3ccnn3)CC2)c1 ZINC000180819045 1430056670 /nfs/dbraw/zinc/05/66/70/1430056670.db2.gz XIWWRRUVLZPVSD-IBGZPJMESA-N 0 1 390.915 3.402 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC(Cn3ccnn3)CC2)c1 ZINC000180819063 1430056762 /nfs/dbraw/zinc/05/67/62/1430056762.db2.gz XIWWRRUVLZPVSD-LJQANCHMSA-N 0 1 390.915 3.402 20 0 GGADMN OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738395652 1430057496 /nfs/dbraw/zinc/05/74/96/1430057496.db2.gz XTODJKVCYZASKG-UWJYYQICSA-N 0 1 393.491 3.086 20 0 GGADMN Cc1cc2c(cc1NC(=O)Nc1ccc(N3CCN(C)CC3)cc1C)OCO2 ZINC000180824210 1430059245 /nfs/dbraw/zinc/05/92/45/1430059245.db2.gz RRQZRCDAVFQIHE-UHFFFAOYSA-N 0 1 382.464 3.428 20 0 GGADMN CC(C)C(=O)NCCN(C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000180839635 1430065105 /nfs/dbraw/zinc/06/51/05/1430065105.db2.gz RJDOZYFZGBKYRZ-UHFFFAOYSA-N 0 1 377.492 3.138 20 0 GGADMN CC(C)C(=O)NCCN(C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000180838974 1430065291 /nfs/dbraw/zinc/06/52/91/1430065291.db2.gz NUBBOGOWMFCACW-UHFFFAOYSA-N 0 1 391.519 3.197 20 0 GGADMN CCCc1cnc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000180852199 1430070374 /nfs/dbraw/zinc/07/03/74/1430070374.db2.gz URALVNRAKGMODZ-SJLPKXTDSA-N 0 1 388.537 3.100 20 0 GGADMN Cc1nnc(SCC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)[nH]1 ZINC000180855233 1430071290 /nfs/dbraw/zinc/07/12/90/1430071290.db2.gz SXHAOQKQWOSROS-NSHDSACASA-N 0 1 396.341 3.226 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)n1 ZINC000180855233 1430071301 /nfs/dbraw/zinc/07/13/01/1430071301.db2.gz SXHAOQKQWOSROS-NSHDSACASA-N 0 1 396.341 3.226 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1c(O)cccc1O ZINC000180854009 1430071691 /nfs/dbraw/zinc/07/16/91/1430071691.db2.gz IFLQLSKGEVGOLN-CQSZACIVSA-N 0 1 380.366 3.121 20 0 GGADMN CC(C)(NCC(=O)NCc1ccccc1Cn1cccn1)c1ccc(F)c(F)c1 ZINC000180861577 1430074480 /nfs/dbraw/zinc/07/44/80/1430074480.db2.gz RSTGSXNOWGXBKE-UHFFFAOYSA-N 0 1 398.457 3.351 20 0 GGADMN CC(C)(NCC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000180868908 1430077961 /nfs/dbraw/zinc/07/79/61/1430077961.db2.gz JCQNTTOLEPGICP-UHFFFAOYSA-N 0 1 398.457 3.334 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820642745 1430079225 /nfs/dbraw/zinc/07/92/25/1430079225.db2.gz LGEUDJMSFXAIDJ-KBXCAEBGSA-N 0 1 387.447 3.295 20 0 GGADMN O=C(NCc1ccc(N2CCOC2=O)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000180871212 1430079450 /nfs/dbraw/zinc/07/94/50/1430079450.db2.gz QOWLOFDIQUNLIH-NRFANRHFSA-N 0 1 393.487 3.314 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(CSCC[NH2+]Cc2cccc3cnccc32)c1 ZINC000826519693 1430080496 /nfs/dbraw/zinc/08/04/96/1430080496.db2.gz JYRKDUXMGKEPTR-UHFFFAOYSA-N 0 1 376.489 3.438 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(=O)[nH]c3c(F)cc(C)cc23)n1 ZINC000180877726 1430083234 /nfs/dbraw/zinc/08/32/34/1430083234.db2.gz RBFXBPRSLWHIJS-UHFFFAOYSA-N 0 1 393.378 3.434 20 0 GGADMN C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627595 1430083377 /nfs/dbraw/zinc/08/33/77/1430083377.db2.gz ZMZXVPOXEYWZBM-CYBMUJFWSA-N 0 1 377.427 3.257 20 0 GGADMN Cc1nc(-c2cc3c(s2)CCN(C[C@@H](O)COC2CCOCC2)C3)cs1 ZINC000180879168 1430084812 /nfs/dbraw/zinc/08/48/12/1430084812.db2.gz AVLATRWAMVLBNL-OAHLLOKOSA-N 0 1 394.562 3.095 20 0 GGADMN COC(=O)c1ccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)o1 ZINC000180881142 1430086220 /nfs/dbraw/zinc/08/62/20/1430086220.db2.gz QKNCHGJOIBCNAO-UHFFFAOYSA-N 0 1 385.464 3.493 20 0 GGADMN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(Cl)cc1 ZINC000180885249 1430088379 /nfs/dbraw/zinc/08/83/79/1430088379.db2.gz CGJKCFJEYXBDRF-SFHVURJKSA-N 0 1 396.940 3.194 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000180892473 1430093693 /nfs/dbraw/zinc/09/36/93/1430093693.db2.gz QNAIFLKDFKQTPG-GOSISDBHSA-N 0 1 381.538 3.214 20 0 GGADMN Cc1sc2nc([C@H](C)N(C)CC(C)(C)CN3CCOCC3)nc(N)c2c1C ZINC000180894264 1430094526 /nfs/dbraw/zinc/09/45/26/1430094526.db2.gz GDZWCLXSEIWRIQ-AWEZNQCLSA-N 0 1 391.585 3.242 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(-c2ccncc2)cc1 ZINC000180911566 1430105970 /nfs/dbraw/zinc/10/59/70/1430105970.db2.gz YIPYAPOYJOTSMP-OAHLLOKOSA-N 0 1 394.500 3.487 20 0 GGADMN COC(=O)[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccc2ccccc2c1 ZINC000180911600 1430106436 /nfs/dbraw/zinc/10/64/36/1430106436.db2.gz KSBGWXPKOKVRSE-GOSISDBHSA-N 0 1 377.375 3.499 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cccc(NC(C)=O)c3)C2=O)cc1 ZINC000180916926 1430113108 /nfs/dbraw/zinc/11/31/08/1430113108.db2.gz OVVKSOBAQQHFTQ-QVKFZJNVSA-N 0 1 381.476 3.105 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(F)cc3N(C)C)C2=O)cc1 ZINC000180917617 1430113643 /nfs/dbraw/zinc/11/36/43/1430113643.db2.gz ZGZOBEURNNFZNR-QRWLVFNGSA-N 0 1 385.483 3.352 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(OC)ccc3OC)C2=O)cc1 ZINC000180919833 1430115375 /nfs/dbraw/zinc/11/53/75/1430115375.db2.gz IAUPCBFCPDZXDQ-MGPUTAFESA-N 0 1 384.476 3.164 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(OC)c(OC)cc3C)C2=O)cc1 ZINC000180923628 1430116923 /nfs/dbraw/zinc/11/69/23/1430116923.db2.gz CICTZHZRRSXSSO-JXFKEZNVSA-N 0 1 398.503 3.473 20 0 GGADMN O=S1(=O)CCCN1CCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180933139 1430122226 /nfs/dbraw/zinc/12/22/26/1430122226.db2.gz NGRADRKJUYEKCB-UHFFFAOYSA-N 0 1 388.411 3.091 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n[nH]1 ZINC000180932456 1430122293 /nfs/dbraw/zinc/12/22/93/1430122293.db2.gz ZQOZNUZHIXAWPL-UHFFFAOYSA-N 0 1 388.811 3.466 20 0 GGADMN Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(F)cc1 ZINC000822020591 1430122868 /nfs/dbraw/zinc/12/28/68/1430122868.db2.gz FKCGCOBYMZNMJX-OLZOCXBDSA-N 0 1 392.442 3.307 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3ncn(C)c3Cl)cc2)C1 ZINC000180934293 1430123002 /nfs/dbraw/zinc/12/30/02/1430123002.db2.gz MMHOZZPVMSBXEN-ZDUSSCGKSA-N 0 1 382.917 3.106 20 0 GGADMN CC(C)Cc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc(=O)[nH]1 ZINC000180935970 1430123724 /nfs/dbraw/zinc/12/37/24/1430123724.db2.gz WLQVPTVQPFRYBU-UHFFFAOYSA-N 0 1 383.492 3.195 20 0 GGADMN COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N1CCCCC1 ZINC000821882483 1430125409 /nfs/dbraw/zinc/12/54/09/1430125409.db2.gz BZQKBUXLEINFKH-QGZVFWFLSA-N 0 1 398.536 3.254 20 0 GGADMN COc1cccc2[nH]cc(CC(=O)Nc3cccc(CN4CCN(C)CC4)c3)c21 ZINC000180944449 1430128004 /nfs/dbraw/zinc/12/80/04/1430128004.db2.gz LUQYZHPOMUSMNF-UHFFFAOYSA-N 0 1 392.503 3.105 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000826184378 1430131017 /nfs/dbraw/zinc/13/10/17/1430131017.db2.gz UWQMPLFEAMPSLB-SFHVURJKSA-N 0 1 395.463 3.048 20 0 GGADMN CCN(CC)[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000180952599 1430131889 /nfs/dbraw/zinc/13/18/89/1430131889.db2.gz GNQMPYYEFANQGS-DENIHFKCSA-N 0 1 379.504 3.271 20 0 GGADMN c1ccc(CCCOC2CN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779887 1430134360 /nfs/dbraw/zinc/13/43/60/1430134360.db2.gz KHVWKNADHUHJQN-UHFFFAOYSA-N 0 1 386.459 3.253 20 0 GGADMN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1OCc1ccccc1 ZINC000180960555 1430136999 /nfs/dbraw/zinc/13/69/99/1430136999.db2.gz NBAYGCMPCYUQRZ-UWJYYQICSA-N 0 1 390.487 3.455 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1OCc1ccccc1 ZINC000180960541 1430137128 /nfs/dbraw/zinc/13/71/28/1430137128.db2.gz NBAYGCMPCYUQRZ-DYESRHJHSA-N 0 1 390.487 3.455 20 0 GGADMN Cc1ccc2ccccc2c1C[NH+]1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822280682 1430144739 /nfs/dbraw/zinc/14/47/39/1430144739.db2.gz VZEITLHUMJRFCQ-UHFFFAOYSA-N 0 1 385.475 3.046 20 0 GGADMN O=C(NCCc1ccc(Cl)s1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180973442 1430144960 /nfs/dbraw/zinc/14/49/60/1430144960.db2.gz RAJAQZOQOCYFRW-UHFFFAOYSA-N 0 1 399.988 3.478 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000180975844 1430147210 /nfs/dbraw/zinc/14/72/10/1430147210.db2.gz HWBBCCRERKQXFT-SUMWQHHRSA-N 0 1 396.457 3.412 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN(CC(F)(F)F)CC3(C)C)n[nH]2)c1 ZINC000180979940 1430149748 /nfs/dbraw/zinc/14/97/48/1430149748.db2.gz KWIGUQNSDXAEBH-UHFFFAOYSA-N 0 1 396.413 3.184 20 0 GGADMN Cc1ccccc1C[NH+]1CCC(NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822355911 1430150854 /nfs/dbraw/zinc/15/08/54/1430150854.db2.gz AWJYFXFXYKMMCS-UHFFFAOYSA-N 0 1 380.471 3.068 20 0 GGADMN C[C@H](CCO)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000180993057 1430156505 /nfs/dbraw/zinc/15/65/05/1430156505.db2.gz QLRYNUFPANCYRO-OAHLLOKOSA-N 0 1 378.419 3.500 20 0 GGADMN COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)C2)c1 ZINC000826217043 1430156581 /nfs/dbraw/zinc/15/65/81/1430156581.db2.gz 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CCOc1ccc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cn1 ZINC000181039563 1430181843 /nfs/dbraw/zinc/18/18/43/1430181843.db2.gz SWFUEPQPCKNTLN-UHFFFAOYSA-N 0 1 395.444 3.015 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000181045102 1430183604 /nfs/dbraw/zinc/18/36/04/1430183604.db2.gz WPYKFYPXXGRCSO-HNNXBMFYSA-N 0 1 390.505 3.011 20 0 GGADMN Cc1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1F ZINC000181044390 1430183688 /nfs/dbraw/zinc/18/36/88/1430183688.db2.gz NNHYVBFPWPASKW-OAHLLOKOSA-N 0 1 378.469 3.328 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820758751 1430185874 /nfs/dbraw/zinc/18/58/74/1430185874.db2.gz CNCBAYZJCQCXRF-QRWLVFNGSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820758751 1430185878 /nfs/dbraw/zinc/18/58/78/1430185878.db2.gz CNCBAYZJCQCXRF-QRWLVFNGSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2nnn[n-]2)cc1F 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CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000181105255 1430211527 /nfs/dbraw/zinc/21/15/27/1430211527.db2.gz BRMLTMKZUAHVNL-OAHLLOKOSA-N 0 1 389.458 3.150 20 0 GGADMN CC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])s2)C1C(=O)OCc1ccccc1 ZINC000181107308 1430212668 /nfs/dbraw/zinc/21/26/68/1430212668.db2.gz UKDHFZDTOGOTJX-OAHLLOKOSA-N 0 1 389.458 3.193 20 0 GGADMN COCc1nnc(-c2cccc(C(=O)O[C@@H]3CCN(Cc4ccccc4)C3)c2)o1 ZINC000181107018 1430212701 /nfs/dbraw/zinc/21/27/01/1430212701.db2.gz UWDZCNFNVHDIEY-LJQANCHMSA-N 0 1 393.443 3.314 20 0 GGADMN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181107919 1430213338 /nfs/dbraw/zinc/21/33/38/1430213338.db2.gz JCTHGQUYHWMOBH-SFTDATJTSA-N 0 1 389.515 3.216 20 0 GGADMN C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)NCc1ccccc1 ZINC000181109846 1430213695 /nfs/dbraw/zinc/21/36/95/1430213695.db2.gz YURPQMWRHHNYMV-NSHDSACASA-N 0 1 387.390 3.327 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C[C@H](C)O1 ZINC000181109318 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20 0 GGADMN Cc1c([C@@H](C)NCCCOC2CCOCC2)nnn1-c1ccc(Cl)cc1 ZINC000181129797 1430219844 /nfs/dbraw/zinc/21/98/44/1430219844.db2.gz CEXMCCSFUOIINY-CQSZACIVSA-N 0 1 378.904 3.465 20 0 GGADMN Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccc(N4CCOC4=O)cc3)C2=O)cc1 ZINC000181143726 1430225220 /nfs/dbraw/zinc/22/52/20/1430225220.db2.gz GFCQHXUQGIXAPE-JXFKEZNVSA-N 0 1 379.460 3.408 20 0 GGADMN Cn1cnc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)n1 ZINC000181157986 1430230892 /nfs/dbraw/zinc/23/08/92/1430230892.db2.gz VRPAEEKVAATKEO-UHFFFAOYSA-N 0 1 382.367 3.302 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 ZINC000181162948 1430233163 /nfs/dbraw/zinc/23/31/63/1430233163.db2.gz NHKBEBMKGQGJJK-UHFFFAOYSA-N 0 1 390.852 3.139 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000181173904 1430236879 /nfs/dbraw/zinc/23/68/79/1430236879.db2.gz GMBMEURBUUSGQB-HXUWFJFHSA-N 0 1 391.515 3.059 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc1Br ZINC000181174751 1430237538 /nfs/dbraw/zinc/23/75/38/1430237538.db2.gz XZSUCMSLWRBUSX-UHFFFAOYSA-N 0 1 386.658 3.478 20 0 GGADMN Cc1csc([C@H](C)NC(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000181176146 1430238794 /nfs/dbraw/zinc/23/87/94/1430238794.db2.gz LCDFDTVEBTZXGA-INIZCTEOSA-N 0 1 380.558 3.047 20 0 GGADMN COc1ccc2oc([C@H](C)N[C@H]3CCCN(c4ccn(C)n4)C3=O)c(C)c2c1 ZINC000181177452 1430239258 /nfs/dbraw/zinc/23/92/58/1430239258.db2.gz UCEBNADBKDTPMW-YOEHRIQHSA-N 0 1 382.464 3.330 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cnc(Br)c(C)c2)cc1[N+](=O)[O-] ZINC000181177818 1430239307 /nfs/dbraw/zinc/23/93/07/1430239307.db2.gz RMWHYPJGCYDIGJ-UHFFFAOYSA-N 0 1 386.227 3.170 20 0 GGADMN CCOc1ccc(Cl)cc1[C@@H](C)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000181178256 1430239324 /nfs/dbraw/zinc/23/93/24/1430239324.db2.gz BDRLPDYNIJBOSJ-CJNGLKHVSA-N 0 1 376.888 3.318 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1N1CCOCC1 ZINC000181180286 1430239938 /nfs/dbraw/zinc/23/99/38/1430239938.db2.gz BSWPRLKUMUABRI-UHFFFAOYSA-N 0 1 383.473 3.181 20 0 GGADMN COc1ccccc1O[C@H](C)CNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cccc12 ZINC000821903198 1430240268 /nfs/dbraw/zinc/24/02/68/1430240268.db2.gz CXRYOOJDSINHPU-CQSZACIVSA-N 0 1 390.447 3.033 20 0 GGADMN Cc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1F ZINC000181185431 1430241327 /nfs/dbraw/zinc/24/13/27/1430241327.db2.gz GRRZXNSVCXTTBW-UHFFFAOYSA-N 0 1 382.432 3.219 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@H](O)c1ccc(F)cc1 ZINC000181186765 1430241745 /nfs/dbraw/zinc/24/17/45/1430241745.db2.gz RKBLFJYUPXPRQF-IBGZPJMESA-N 0 1 383.423 3.011 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccc1N1CCOCC1 ZINC000181185948 1430241875 /nfs/dbraw/zinc/24/18/75/1430241875.db2.gz GMLSALLOIQRINE-UHFFFAOYSA-N 0 1 386.395 3.050 20 0 GGADMN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000821614750 1430243176 /nfs/dbraw/zinc/24/31/76/1430243176.db2.gz UBJCHIMYTWRLBQ-UHFFFAOYSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000821614750 1430243179 /nfs/dbraw/zinc/24/31/79/1430243179.db2.gz UBJCHIMYTWRLBQ-UHFFFAOYSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000821614750 1430243180 /nfs/dbraw/zinc/24/31/80/1430243180.db2.gz UBJCHIMYTWRLBQ-UHFFFAOYSA-N 0 1 386.500 3.134 20 0 GGADMN COCC[C@@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181192834 1430244439 /nfs/dbraw/zinc/24/44/39/1430244439.db2.gz PQLWMMAASIXYEN-YJYMSZOUSA-N 0 1 383.460 3.472 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](N[C@H]2CCCOC2)c2ccc(F)c(F)c2)c1 ZINC000181194025 1430244761 /nfs/dbraw/zinc/24/47/61/1430244761.db2.gz RKNPFKXTDUSOIH-HNAYVOBHSA-N 0 1 381.444 3.226 20 0 GGADMN CC[C@H](COC)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000181193677 1430244925 /nfs/dbraw/zinc/24/49/25/1430244925.db2.gz PPPUPVDPRLMSPE-DNVCBOLYSA-N 0 1 383.460 3.472 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](N[C@H]2CCCOC2)c2ccc(F)c(F)c2)c1 ZINC000181194006 1430245010 /nfs/dbraw/zinc/24/50/10/1430245010.db2.gz RKNPFKXTDUSOIH-KXBFYZLASA-N 0 1 381.444 3.226 20 0 GGADMN CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([O-])cc2F)CC1 ZINC000181197036 1430245697 /nfs/dbraw/zinc/24/56/97/1430245697.db2.gz NYSLQVIHHGBQDF-CQSZACIVSA-N 0 1 389.446 3.303 20 0 GGADMN Cc1cc2ncc([C@H](C)NCc3cccc(CN4CCCC4=O)c3)c(C)n2n1 ZINC000181200376 1430246209 /nfs/dbraw/zinc/24/62/09/1430246209.db2.gz RFJNAZDLLWOBJQ-INIZCTEOSA-N 0 1 377.492 3.319 20 0 GGADMN COc1ccc2c(c1)[C@H](N[C@@H]1CCN(c3cc(OC)cc(OC)c3)C1=O)CC2 ZINC000181208586 1430247923 /nfs/dbraw/zinc/24/79/23/1430247923.db2.gz CUFQAWYZHFFJNB-NHCUHLMSSA-N 0 1 382.460 3.095 20 0 GGADMN COc1ccc2c(c1)[C@@H](N[C@H]1CCN(c3cc(OC)cc(OC)c3)C1=O)CC2 ZINC000181208637 1430247930 /nfs/dbraw/zinc/24/79/30/1430247930.db2.gz CUFQAWYZHFFJNB-SFTDATJTSA-N 0 1 382.460 3.095 20 0 GGADMN CCc1nc(C)c([C@H](C)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)s1 ZINC000181208743 1430247968 /nfs/dbraw/zinc/24/79/68/1430247968.db2.gz MKZOMUKNMREFQY-YVEFUNNKSA-N 0 1 389.521 3.487 20 0 GGADMN CCc1nc(C)c([C@@H](C)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)s1 ZINC000181208756 1430248109 /nfs/dbraw/zinc/24/81/09/1430248109.db2.gz MKZOMUKNMREFQY-PXAZEXFGSA-N 0 1 389.521 3.487 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CCN1C[C@@H](C)O ZINC000181209853 1430248249 /nfs/dbraw/zinc/24/82/49/1430248249.db2.gz NTASVYALTTYVRI-IEBWSBKVSA-N 0 1 399.539 3.440 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc(Cl)nc3)C2=O)c1 ZINC000181209905 1430248342 /nfs/dbraw/zinc/24/83/42/1430248342.db2.gz WSOOICKKFSHPSS-SJCJKPOMSA-N 0 1 375.856 3.208 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3ccc(Cl)nc3)C2=O)c1 ZINC000181209890 1430248453 /nfs/dbraw/zinc/24/84/53/1430248453.db2.gz WSOOICKKFSHPSS-SJKOYZFVSA-N 0 1 375.856 3.208 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccccc3N(C)C)C2=O)c1 ZINC000181208914 1430248515 /nfs/dbraw/zinc/24/85/15/1430248515.db2.gz PQCGNPZJPIJCHI-YWZLYKJASA-N 0 1 383.492 3.226 20 0 GGADMN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181227245 1430251879 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C[C@@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181266571 1430259126 /nfs/dbraw/zinc/25/91/26/1430259126.db2.gz JKRJSWPQCIRIPD-QGZVFWFLSA-N 0 1 393.487 3.485 20 0 GGADMN Cc1nc(NC(=O)[C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)sc1C ZINC000181267819 1430259485 /nfs/dbraw/zinc/25/94/85/1430259485.db2.gz QVBYQRUTYUUJJH-OLZOCXBDSA-N 0 1 388.493 3.394 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181272056 1430260471 /nfs/dbraw/zinc/26/04/71/1430260471.db2.gz ADUWRRNHDVUTTK-QGZVFWFLSA-N 0 1 375.513 3.434 20 0 GGADMN CC(C)(C)CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181277657 1430261687 /nfs/dbraw/zinc/26/16/87/1430261687.db2.gz KDFIDDZCUADPGB-MRXNPFEDSA-N 0 1 376.526 3.417 20 0 GGADMN CCOC(=O)C1(C(=O)Nc2cc(CN3CCSCC3)ccc2C)CCC1 ZINC000181280178 1430262079 /nfs/dbraw/zinc/26/20/79/1430262079.db2.gz FIMNDFUVADECPJ-UHFFFAOYSA-N 0 1 376.522 3.216 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000181284913 1430262671 /nfs/dbraw/zinc/26/26/71/1430262671.db2.gz LQYCRNYHWPYECH-OAHLLOKOSA-N 0 1 385.439 3.058 20 0 GGADMN Cc1cccc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1F ZINC000181286987 1430263039 /nfs/dbraw/zinc/26/30/39/1430263039.db2.gz XTFYSKVORMGZNG-UHFFFAOYSA-N 0 1 376.497 3.419 20 0 GGADMN COCCOc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)cc1 ZINC000181287804 1430263275 /nfs/dbraw/zinc/26/32/75/1430263275.db2.gz DFSWDKIZDUTZHB-APWZRJJASA-N 0 1 384.476 3.177 20 0 GGADMN COCCOc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)cc1 ZINC000181287786 1430263287 /nfs/dbraw/zinc/26/32/87/1430263287.db2.gz DFSWDKIZDUTZHB-LPHOPBHVSA-N 0 1 384.476 3.177 20 0 GGADMN COCCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)cc1 ZINC000181287768 1430263290 /nfs/dbraw/zinc/26/32/90/1430263290.db2.gz DFSWDKIZDUTZHB-VQIMIIECSA-N 0 1 384.476 3.177 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)s1 ZINC000181290206 1430264193 /nfs/dbraw/zinc/26/41/93/1430264193.db2.gz CXFVCMUKILJLDO-UKRRQHHQSA-N 0 1 389.521 3.105 20 0 GGADMN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291653 1430264805 /nfs/dbraw/zinc/26/48/05/1430264805.db2.gz CZFKLKOJSZSYNG-HKUYNNGSSA-N 0 1 381.524 3.298 20 0 GGADMN CN(C)C(=O)c1ccc(C(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181293966 1430265513 /nfs/dbraw/zinc/26/55/13/1430265513.db2.gz QDOQSVHSIJOKLX-QFIPXVFZSA-N 0 1 392.499 3.308 20 0 GGADMN CC1([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C2)OCCO1 ZINC000181295153 1430265569 /nfs/dbraw/zinc/26/55/69/1430265569.db2.gz FYXWNSMXGCEKJC-CYBMUJFWSA-N 0 1 375.856 3.345 20 0 GGADMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181298821 1430266399 /nfs/dbraw/zinc/26/63/99/1430266399.db2.gz XLQLBLMNBZQQPE-QGZVFWFLSA-N 0 1 393.487 3.142 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC[C@@H]1CCCCO1)N1CCCCC1 ZINC000181298299 1430266442 /nfs/dbraw/zinc/26/64/42/1430266442.db2.gz ZYMZGMLZSGBMJK-ICSRJNTNSA-N 0 1 389.540 3.481 20 0 GGADMN C[C@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000181298948 1430266453 /nfs/dbraw/zinc/26/64/53/1430266453.db2.gz XRPBBIWKRREODE-KRWDZBQOSA-N 0 1 393.487 3.485 20 0 GGADMN Cc1nc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)sc1C ZINC000181300451 1430267375 /nfs/dbraw/zinc/26/73/75/1430267375.db2.gz ZGYYPTGHALHVBS-CHWSQXEVSA-N 0 1 388.493 3.394 20 0 GGADMN CCC[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CCN1Cc1ccccc1 ZINC000181301625 1430267420 /nfs/dbraw/zinc/26/74/20/1430267420.db2.gz CHSJZDAZNJZIMI-OAQYLSRUSA-N 0 1 391.515 3.237 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(F)ccc1F)c1cccc(N2CCOC2=O)c1 ZINC000181307631 1430268999 /nfs/dbraw/zinc/26/89/99/1430268999.db2.gz YWEAVQALSCXKDP-LBPRGKRZSA-N 0 1 375.375 3.211 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181307229 1430269092 /nfs/dbraw/zinc/26/90/92/1430269092.db2.gz AFIOSKYVNGYXCB-IRXDYDNUSA-N 0 1 381.476 3.307 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCc1ccc(F)cc1 ZINC000181311735 1430269859 /nfs/dbraw/zinc/26/98/59/1430269859.db2.gz AMKUBXYQCYDFHY-HUUCEWRRSA-N 0 1 385.439 3.138 20 0 GGADMN COC(=O)c1c2c(sc1NC(=O)CN[C@@H](C)c1cccnc1)C[C@@H](C)CC2 ZINC000181310947 1430269948 /nfs/dbraw/zinc/26/99/48/1430269948.db2.gz OAIKKLORDILGSM-STQMWFEESA-N 0 1 387.505 3.344 20 0 GGADMN CCc1cc(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)n(C)n1 ZINC000181313594 1430270267 /nfs/dbraw/zinc/27/02/67/1430270267.db2.gz IAWQHWGPWICXST-OAHLLOKOSA-N 0 1 379.468 3.179 20 0 GGADMN C[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1cccc(N2CCOC2=O)c1 ZINC000181313520 1430270371 /nfs/dbraw/zinc/27/03/71/1430270371.db2.gz WGTRVEWSPIGQPS-ZDUSSCGKSA-N 0 1 380.400 3.306 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1cccc(N2CCOC2=O)c1 ZINC000181313543 1430270434 /nfs/dbraw/zinc/27/04/34/1430270434.db2.gz WGTRVEWSPIGQPS-CYBMUJFWSA-N 0 1 380.400 3.306 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccccc1F)c1cccc(N2CCOC2=O)c1 ZINC000181320010 1430272039 /nfs/dbraw/zinc/27/20/39/1430272039.db2.gz TVIWMYGGPXMIRZ-HNNXBMFYSA-N 0 1 385.439 3.092 20 0 GGADMN C[C@@H](NCC(=O)N(C)Cc1ccccc1F)c1cccc(N2CCOC2=O)c1 ZINC000181320028 1430272057 /nfs/dbraw/zinc/27/20/57/1430272057.db2.gz TVIWMYGGPXMIRZ-OAHLLOKOSA-N 0 1 385.439 3.092 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1F ZINC000181319797 1430272167 /nfs/dbraw/zinc/27/21/67/1430272167.db2.gz YMFHQKIQWIWRDB-HNNXBMFYSA-N 0 1 385.439 3.058 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000181325745 1430273170 /nfs/dbraw/zinc/27/31/70/1430273170.db2.gz YHHKWSZWZWZTJD-ACJLOTCBSA-N 0 1 378.469 3.298 20 0 GGADMN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1nnc2ccccc2c1O ZINC000181344124 1430278487 /nfs/dbraw/zinc/27/84/87/1430278487.db2.gz AOWQFSZNIYBXEP-HNNXBMFYSA-N 0 1 383.276 3.235 20 0 GGADMN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000181356691 1430281092 /nfs/dbraw/zinc/28/10/92/1430281092.db2.gz QQZKAUVWFQKFFM-MRXNPFEDSA-N 0 1 397.435 3.435 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[n-]2)C1)[NH+]1CCCCCC1 ZINC000181359014 1430281480 /nfs/dbraw/zinc/28/14/80/1430281480.db2.gz QJTPIECTXAUXOS-PKOBYXMFSA-N 0 1 381.524 3.442 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[n-]2)C1)[NH+]1CCCCCC1 ZINC000181358997 1430281495 /nfs/dbraw/zinc/28/14/95/1430281495.db2.gz QJTPIECTXAUXOS-MJGOQNOKSA-N 0 1 381.524 3.442 20 0 GGADMN O=C(NCCc1cccc(Cl)c1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181364926 1430282108 /nfs/dbraw/zinc/28/21/08/1430282108.db2.gz NTIFCQVNSVQSQR-UHFFFAOYSA-N 0 1 392.793 3.451 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)s1 ZINC000181382082 1430285279 /nfs/dbraw/zinc/28/52/79/1430285279.db2.gz MUZHXVDHZLXAIZ-HUUCEWRRSA-N 0 1 390.553 3.111 20 0 GGADMN CCc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3c3nnc[nH]3)c3c2CCC3)cc1 ZINC000181379843 1430285434 /nfs/dbraw/zinc/28/54/34/1430285434.db2.gz TYAWTJKHHUDPCN-LJQANCHMSA-N 0 1 390.491 3.409 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNCCc1csc(CC)n1 ZINC000181382711 1430285814 /nfs/dbraw/zinc/28/58/14/1430285814.db2.gz DHACLNTYSWGUHL-UHFFFAOYSA-N 0 1 384.505 3.400 20 0 GGADMN Cc1nn(C)c(Cl)c1CN[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000181384792 1430285882 /nfs/dbraw/zinc/28/58/82/1430285882.db2.gz KZBLGRMNEXHGTP-AWEZNQCLSA-N 0 1 389.931 3.489 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCOc4cc(F)ccc43)cc2[nH]c1=S ZINC000181386215 1430286046 /nfs/dbraw/zinc/28/60/46/1430286046.db2.gz HUVPYYKQLYXTHP-HNNXBMFYSA-N 0 1 399.447 3.005 20 0 GGADMN Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)c3c2CCC3)c(F)c1 ZINC000181385404 1430286149 /nfs/dbraw/zinc/28/61/49/1430286149.db2.gz LUXCQABVXWIFTE-SFHVURJKSA-N 0 1 394.454 3.294 20 0 GGADMN O=C(NCCc1c[nH]c2ccccc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000181386093 1430286363 /nfs/dbraw/zinc/28/63/63/1430286363.db2.gz SDQPMONSWZCRJH-UHFFFAOYSA-N 0 1 398.551 3.244 20 0 GGADMN CC(C)(C)OC(=O)c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000181389342 1430287324 /nfs/dbraw/zinc/28/73/24/1430287324.db2.gz NBTXMQXTFZBUQL-UHFFFAOYSA-N 0 1 395.503 3.431 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCC2(OC)CCC2)N2CCCCC2)cc1 ZINC000181393032 1430287678 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386.422 3.085 20 0 GGADMN O=C(NC[C@H]1CCOc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181570503 1430321593 /nfs/dbraw/zinc/32/15/93/1430321593.db2.gz CLBBHXBZDWFPRR-CVEARBPZSA-N 0 1 381.480 3.137 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@H](Oc2cccc(F)c2)C1)c1cccs1 ZINC000181573374 1430322224 /nfs/dbraw/zinc/32/22/24/1430322224.db2.gz GETDGYYBFQIRKQ-IRXDYDNUSA-N 0 1 377.485 3.353 20 0 GGADMN O=C(NC[C@H]1CCc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000181573812 1430322275 /nfs/dbraw/zinc/32/22/75/1430322275.db2.gz ULDKCFNOPFSVFP-OAQYLSRUSA-N 0 1 385.552 3.250 20 0 GGADMN C[C@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1cccc(O)c1 ZINC000181575862 1430322666 /nfs/dbraw/zinc/32/26/66/1430322666.db2.gz UXIUFVFFJDYEFX-HNAYVOBHSA-N 0 1 382.460 3.178 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc(O)c2)c(OC)c1 ZINC000181580441 1430323214 /nfs/dbraw/zinc/32/32/14/1430323214.db2.gz VKSPPVOXOLMXRY-QRWLVFNGSA-N 0 1 384.476 3.424 20 0 GGADMN COc1cccc2cc([C@H](C)NCCS(=O)(=O)NCc3ccccc3)oc21 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GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000181640742 1430333472 /nfs/dbraw/zinc/33/34/72/1430333472.db2.gz GJZWSVHFBNQUSU-NRFANRHFSA-N 0 1 394.519 3.421 20 0 GGADMN CC(C)[C@@H](NCC(=O)NCCCN1CCCCCC1=O)c1ccc(F)cc1F ZINC000181652212 1430335183 /nfs/dbraw/zinc/33/51/83/1430335183.db2.gz PBYGCKSBMSBWSU-OAQYLSRUSA-N 0 1 395.494 3.160 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000181654323 1430335686 /nfs/dbraw/zinc/33/56/86/1430335686.db2.gz SPLPEEDQOGSBBK-JKSUJKDBSA-N 0 1 392.459 3.282 20 0 GGADMN CCC[C@H](NCC(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)cc1F ZINC000181667921 1430338178 /nfs/dbraw/zinc/33/81/78/1430338178.db2.gz TXSZCUHUADBHJT-SFHVURJKSA-N 0 1 382.451 3.197 20 0 GGADMN O=S(=O)(Nc1cnn(-c2ccccc2)c1)c1ccc(OCC(F)F)cc1 ZINC000181683580 1430341163 /nfs/dbraw/zinc/34/11/63/1430341163.db2.gz ZVGOILJZKWTLBH-UHFFFAOYSA-N 0 1 379.388 3.317 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000181686535 1430341702 /nfs/dbraw/zinc/34/17/02/1430341702.db2.gz NPGISMROVIVRHM-OAHLLOKOSA-N 0 1 382.460 3.459 20 0 GGADMN C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1OCc1ccccc1 ZINC000181691801 1430342488 /nfs/dbraw/zinc/34/24/88/1430342488.db2.gz BRFOFAPRDMTPRU-PKOBYXMFSA-N 0 1 388.533 3.340 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000181703014 1430343991 /nfs/dbraw/zinc/34/39/91/1430343991.db2.gz YZPHUQMKGCMHGC-MRXNPFEDSA-N 0 1 387.911 3.498 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000181702993 1430344090 /nfs/dbraw/zinc/34/40/90/1430344090.db2.gz YZPHUQMKGCMHGC-INIZCTEOSA-N 0 1 387.911 3.498 20 0 GGADMN CCc1nc(CSc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)n[nH]1 ZINC000181708851 1430344978 /nfs/dbraw/zinc/34/49/78/1430344978.db2.gz WSKVOIBZLQACEC-UHFFFAOYSA-N 0 1 397.508 3.063 20 0 GGADMN COc1ccccc1[C@H](CC(C)C)NCC(=O)N1CC(=O)Nc2ccccc21 ZINC000181715490 1430346120 /nfs/dbraw/zinc/34/61/20/1430346120.db2.gz YETBPNKRJYDQDO-SFHVURJKSA-N 0 1 381.476 3.357 20 0 GGADMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)N1CC(=O)Nc2ccccc21 ZINC000181715506 1430346218 /nfs/dbraw/zinc/34/62/18/1430346218.db2.gz YETBPNKRJYDQDO-GOSISDBHSA-N 0 1 381.476 3.357 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000181717804 1430346469 /nfs/dbraw/zinc/34/64/69/1430346469.db2.gz VFVJYLWNPAUEMN-SFHVURJKSA-N 0 1 393.509 3.124 20 0 GGADMN Fc1cccc(F)c1-c1csc(CN2CC[C@H](CN3CCOCC3)C2)n1 ZINC000181718373 1430346723 /nfs/dbraw/zinc/34/67/23/1430346723.db2.gz DHPANELDMGPRRQ-CQSZACIVSA-N 0 1 379.476 3.242 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccccc1C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000181719817 1430347166 /nfs/dbraw/zinc/34/71/66/1430347166.db2.gz LSWZIJXZNMSBAS-SFHVURJKSA-N 0 1 389.521 3.137 20 0 GGADMN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000181720948 1430347454 /nfs/dbraw/zinc/34/74/54/1430347454.db2.gz XRSCXLANUVWTEW-HNNXBMFYSA-N 0 1 399.457 3.143 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181734228 1430350123 /nfs/dbraw/zinc/35/01/23/1430350123.db2.gz SSSHTIJPPILOIM-ZDUSSCGKSA-N 0 1 390.867 3.087 20 0 GGADMN COc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000181740131 1430350776 /nfs/dbraw/zinc/35/07/76/1430350776.db2.gz WDFWWHZUBGEPII-UHFFFAOYSA-N 0 1 378.472 3.283 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3cncc(F)c3)cc2)C[C@@H](C)O1 ZINC000181745417 1430351736 /nfs/dbraw/zinc/35/17/36/1430351736.db2.gz MIAOLYQBEBGLJT-IAGOWNOFSA-N 0 1 385.483 3.079 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)n[nH]1 ZINC000181751438 1430352171 /nfs/dbraw/zinc/35/21/71/1430352171.db2.gz ZVXMTUMNWDOTAD-UHFFFAOYSA-N 0 1 377.400 3.378 20 0 GGADMN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000181756655 1430353286 /nfs/dbraw/zinc/35/32/86/1430353286.db2.gz GATCGCXTRIUMOB-UHFFFAOYSA-N 0 1 385.470 3.414 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000181756049 1430353344 /nfs/dbraw/zinc/35/33/44/1430353344.db2.gz PYAOPDHQIGHYLE-UHFFFAOYSA-N 0 1 386.496 3.259 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cnn(CC(C)C)c2)cc1 ZINC000181757808 1430353707 /nfs/dbraw/zinc/35/37/07/1430353707.db2.gz SFZNGZAPVVKEKY-QGZVFWFLSA-N 0 1 392.569 3.420 20 0 GGADMN CS(=O)(=O)C[C@@H](NCCOc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000181767429 1430355330 /nfs/dbraw/zinc/35/53/30/1430355330.db2.gz DWJPVIGECXCUFM-QGZVFWFLSA-N 0 1 387.423 3.460 20 0 GGADMN CS(=O)(=O)C[C@H](NCCOc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000181767410 1430355479 /nfs/dbraw/zinc/35/54/79/1430355479.db2.gz DWJPVIGECXCUFM-KRWDZBQOSA-N 0 1 387.423 3.460 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1SCC(N)=O)c1cc2ccccc2o1 ZINC000181771689 1430356402 /nfs/dbraw/zinc/35/64/02/1430356402.db2.gz UDIMRPIFQCCRGW-ZDUSSCGKSA-N 0 1 383.473 3.300 20 0 GGADMN CS(=O)(=O)C[C@@H](NCCOc1ccccc1C(F)(F)F)c1ccccc1 ZINC000181773285 1430356806 /nfs/dbraw/zinc/35/68/06/1430356806.db2.gz NGTXAVBVUBQFAQ-MRXNPFEDSA-N 0 1 387.423 3.460 20 0 GGADMN O=C(N[C@H]1CCCOCC1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000181774378 1430356924 /nfs/dbraw/zinc/35/69/24/1430356924.db2.gz IDIDSNCACXDIBM-SFHVURJKSA-N 0 1 399.457 3.492 20 0 GGADMN CC(C)Cn1cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000181777449 1430357796 /nfs/dbraw/zinc/35/77/96/1430357796.db2.gz USNHNSSMILKFKW-HDICACEKSA-N 0 1 384.524 3.078 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C[C@@](C)(O)c1ccccc1)N1CCCC1 ZINC000181778055 1430358163 /nfs/dbraw/zinc/35/81/63/1430358163.db2.gz UNZQJBICUIYTDM-NFBKMPQASA-N 0 1 382.504 3.246 20 0 GGADMN Cn1ncc2c1ncc(C(=O)Nc1ccccc1NC(=O)c1ccccc1)c2O ZINC000181780148 1430358400 /nfs/dbraw/zinc/35/84/00/1430358400.db2.gz VFCQHTAKKISHDB-UHFFFAOYSA-N 0 1 387.399 3.179 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2-n2nccc2C)ccc1F ZINC000181790989 1430361083 /nfs/dbraw/zinc/36/10/83/1430361083.db2.gz DMPZLLJFGLFYLL-UHFFFAOYSA-N 0 1 388.424 3.079 20 0 GGADMN CC(C)Cn1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cn1 ZINC000181796139 1430362248 /nfs/dbraw/zinc/36/22/48/1430362248.db2.gz NRVQODBLYASNAY-SFHVURJKSA-N 0 1 392.450 3.426 20 0 GGADMN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181799398 1430362984 /nfs/dbraw/zinc/36/29/84/1430362984.db2.gz IUUGICZXWLRMCB-RHSMWYFYSA-N 0 1 393.495 3.164 20 0 GGADMN C[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)N1CCN(C)CC1 ZINC000181816660 1430366525 /nfs/dbraw/zinc/36/65/25/1430366525.db2.gz NCBXSKCPPGXMHO-MRXNPFEDSA-N 0 1 387.911 3.498 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN[C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000181818551 1430366922 /nfs/dbraw/zinc/36/69/22/1430366922.db2.gz WVSZGVOYPKFQQI-QGZVFWFLSA-N 0 1 395.503 3.257 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(F)(F)F ZINC000181824411 1430367456 /nfs/dbraw/zinc/36/74/56/1430367456.db2.gz QFEMRSNWWXFFTM-HUUCEWRRSA-N 0 1 379.467 3.107 20 0 GGADMN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)nn1-c1cccc(Cl)c1 ZINC000181823806 1430367680 /nfs/dbraw/zinc/36/76/80/1430367680.db2.gz IQEOVMBJOQOQFX-SFHVURJKSA-N 0 1 388.899 3.416 20 0 GGADMN CC1(C)[C@H](NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)[C@@H]2CCO[C@@H]21 ZINC000181825170 1430367861 /nfs/dbraw/zinc/36/78/61/1430367861.db2.gz GOTJLKMUAHJSSN-FJIDUMEYSA-N 0 1 395.507 3.174 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(F)(F)F ZINC000181824444 1430367961 /nfs/dbraw/zinc/36/79/61/1430367961.db2.gz QFEMRSNWWXFFTM-LSDHHAIUSA-N 0 1 379.467 3.107 20 0 GGADMN Cc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] ZINC000181825207 1430367969 /nfs/dbraw/zinc/36/79/69/1430367969.db2.gz AAMGNSJTRNFYJI-CYBMUJFWSA-N 0 1 384.392 3.051 20 0 GGADMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000181828968 1430368720 /nfs/dbraw/zinc/36/87/20/1430368720.db2.gz YQFNQSUXPQAYCI-CQSZACIVSA-N 0 1 396.447 3.085 20 0 GGADMN Cn1ncc2c1ncc(C(=O)Nc1ccc(OC(F)F)c3ncccc13)c2O ZINC000181831901 1430369243 /nfs/dbraw/zinc/36/92/43/1430369243.db2.gz ZMUNLNWLLOMZAE-UHFFFAOYSA-N 0 1 385.330 3.076 20 0 GGADMN Cn1[nH]cc2c(=O)c(C(=O)Nc3ccc(OC(F)F)c4ncccc34)cnc1-2 ZINC000181831901 1430369250 /nfs/dbraw/zinc/36/92/50/1430369250.db2.gz ZMUNLNWLLOMZAE-UHFFFAOYSA-N 0 1 385.330 3.076 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)n2)o1 ZINC000181876050 1430375783 /nfs/dbraw/zinc/37/57/83/1430375783.db2.gz KXUOSIOORYDMMI-MRXNPFEDSA-N 0 1 395.463 3.465 20 0 GGADMN COC(=O)c1ccc(F)c(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000181881254 1430377043 /nfs/dbraw/zinc/37/70/43/1430377043.db2.gz AOQPZHBAIJTJHR-INIZCTEOSA-N 0 1 386.471 3.310 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n2)o1 ZINC000181883552 1430377546 /nfs/dbraw/zinc/37/75/46/1430377546.db2.gz ZJNBDBNAPAPYAU-BBRMVZONSA-N 0 1 399.838 3.185 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)n2)o1 ZINC000181886054 1430377822 /nfs/dbraw/zinc/37/78/22/1430377822.db2.gz TZCIWMMSNHLBNQ-MRXNPFEDSA-N 0 1 383.477 3.102 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)o1 ZINC000181888397 1430378412 /nfs/dbraw/zinc/37/84/12/1430378412.db2.gz XEYIMEKKVMLJRC-OAQYLSRUSA-N 0 1 393.447 3.254 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1cccc(OC(F)(F)F)c1 ZINC000181897547 1430380036 /nfs/dbraw/zinc/38/00/36/1430380036.db2.gz MYUJKKDLQXABBS-LBPRGKRZSA-N 0 1 396.365 3.281 20 0 GGADMN COc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000181910870 1430382091 /nfs/dbraw/zinc/38/20/91/1430382091.db2.gz RBDGKPMTMQVGRY-SFHVURJKSA-N 0 1 378.472 3.237 20 0 GGADMN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000181932293 1430385335 /nfs/dbraw/zinc/38/53/35/1430385335.db2.gz JBMBTINPNJEWEG-LRDDRELGSA-N 0 1 377.872 3.316 20 0 GGADMN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000181932766 1430385371 /nfs/dbraw/zinc/38/53/71/1430385371.db2.gz LYFOZVKGRNIMQS-IAGOWNOFSA-N 0 1 385.512 3.050 20 0 GGADMN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000181932328 1430385481 /nfs/dbraw/zinc/38/54/81/1430385481.db2.gz JBMBTINPNJEWEG-BLLLJJGKSA-N 0 1 377.872 3.316 20 0 GGADMN C[C@](O)(CN1CCC(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181939310 1430386198 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GGADMN CCOC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2cccc(F)c2F)c1 ZINC000181978178 1430391133 /nfs/dbraw/zinc/39/11/33/1430391133.db2.gz AEFUAGDRCCBVOQ-HIFRSBDPSA-N 0 1 379.403 3.232 20 0 GGADMN Cc1cn2c(CN[C@H]3CC(=O)N(c4c(F)cccc4F)C3)c(C)nc2s1 ZINC000181995147 1430393314 /nfs/dbraw/zinc/39/33/14/1430393314.db2.gz QZMRJAIQBLMEQP-LBPRGKRZSA-N 0 1 376.432 3.186 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)C1CCOCC1 ZINC000181998349 1430393903 /nfs/dbraw/zinc/39/39/03/1430393903.db2.gz QIINVNOXNKJGKG-CRAIPNDOSA-N 0 1 383.496 3.176 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)C1CCOCC1 ZINC000181998314 1430393988 /nfs/dbraw/zinc/39/39/88/1430393988.db2.gz QIINVNOXNKJGKG-QAPCUYQASA-N 0 1 383.496 3.176 20 0 GGADMN CC(=O)Nc1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000181999309 1430394207 /nfs/dbraw/zinc/39/42/07/1430394207.db2.gz VEVGRKWISWTQKT-ZHRRBRCNSA-N 0 1 395.503 3.405 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CC)CSC ZINC000181999424 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GGADMN C[C@@H]1CN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC[C@@H]1c1ccccc1 ZINC000182352732 1430452555 /nfs/dbraw/zinc/45/25/55/1430452555.db2.gz QYOONRJTPRCWLR-WTNAPCKOSA-N 0 1 387.545 3.423 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1nnc[nH]1 ZINC000182351404 1430452564 /nfs/dbraw/zinc/45/25/64/1430452564.db2.gz OUIRRZXWVCNNTP-RHSMWYFYSA-N 0 1 396.520 3.026 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000182369769 1430454243 /nfs/dbraw/zinc/45/42/43/1430454243.db2.gz IBCHYDAXAAEGGQ-RTBURBONSA-N 0 1 391.560 3.010 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000182369749 1430454382 /nfs/dbraw/zinc/45/43/82/1430454382.db2.gz IBCHYDAXAAEGGQ-MOPGFXCFSA-N 0 1 391.560 3.010 20 0 GGADMN CN(C[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12)C(=O)OC(C)(C)C ZINC000182371433 1430454603 /nfs/dbraw/zinc/45/46/03/1430454603.db2.gz LLPMKGSLASPNFX-OAHLLOKOSA-N 0 1 388.464 3.330 20 0 GGADMN CN(C[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12)C(=O)OC(C)(C)C ZINC000182371433 1430454604 /nfs/dbraw/zinc/45/46/04/1430454604.db2.gz LLPMKGSLASPNFX-OAHLLOKOSA-N 0 1 388.464 3.330 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000182385753 1430457119 /nfs/dbraw/zinc/45/71/19/1430457119.db2.gz VLPVBAHEZNUCHU-QGZVFWFLSA-N 0 1 378.856 3.009 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000182385991 1430457244 /nfs/dbraw/zinc/45/72/44/1430457244.db2.gz YRXVPOCHTNIKKP-FCEWJHQRSA-N 0 1 391.560 3.153 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000182393397 1430458593 /nfs/dbraw/zinc/45/85/93/1430458593.db2.gz OWDCUCXJGOBJJZ-MRXNPFEDSA-N 0 1 378.856 3.009 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000182392856 1430458731 /nfs/dbraw/zinc/45/87/31/1430458731.db2.gz JACFMXAQYWNUQI-FGZHOGPDSA-N 0 1 382.504 3.244 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 ZINC000182392875 1430458806 /nfs/dbraw/zinc/45/88/06/1430458806.db2.gz JACFMXAQYWNUQI-YADHBBJMSA-N 0 1 382.504 3.244 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000182395474 1430459238 /nfs/dbraw/zinc/45/92/38/1430459238.db2.gz QPQAEGAVUUHYKL-HNNXBMFYSA-N 0 1 389.452 3.096 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000182396838 1430459498 /nfs/dbraw/zinc/45/94/98/1430459498.db2.gz UKTNJOHTFZILCI-IFXJQAMLSA-N 0 1 376.884 3.239 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000182399506 1430460133 /nfs/dbraw/zinc/46/01/33/1430460133.db2.gz UHVBCJZPMTYLHA-XOBRGWDASA-N 0 1 392.446 3.206 20 0 GGADMN CCN(C(=O)CN[C@@H](CCO)c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000182399957 1430460384 /nfs/dbraw/zinc/46/03/84/1430460384.db2.gz IFIUTGAPEGCWHM-KRWDZBQOSA-N 0 1 399.516 3.371 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NCCN1CCc2ccccc2C1 ZINC000182399851 1430460474 /nfs/dbraw/zinc/46/04/74/1430460474.db2.gz TWBIHBIYGBWFOE-UHFFFAOYSA-N 0 1 389.503 3.038 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000182400231 1430460540 /nfs/dbraw/zinc/46/05/40/1430460540.db2.gz NZLNMPBSTLMMRU-OAHLLOKOSA-N 0 1 387.461 3.064 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000182402283 1430460649 /nfs/dbraw/zinc/46/06/49/1430460649.db2.gz GKSKQVWBLZJTRV-UZUQRXQVSA-N 0 1 396.531 3.465 20 0 GGADMN COc1cc([C@H](C)NC(=O)N[C@@H](C)c2nnc[nH]2)ccc1OCCC(C)C ZINC000182402299 1430460786 /nfs/dbraw/zinc/46/07/86/1430460786.db2.gz KJXNEFRTHCOXCN-KBPBESRZSA-N 0 1 375.473 3.360 20 0 GGADMN COc1cc([C@H](C)NC(=O)N[C@H](C)c2nnc[nH]2)ccc1OCCC(C)C ZINC000182402335 1430460816 /nfs/dbraw/zinc/46/08/16/1430460816.db2.gz KJXNEFRTHCOXCN-UONOGXRCSA-N 0 1 375.473 3.360 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000182402770 1430461070 /nfs/dbraw/zinc/46/10/70/1430461070.db2.gz FUHWOAKRBUEKSO-INIZCTEOSA-N 0 1 382.382 3.366 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000182402753 1430461087 /nfs/dbraw/zinc/46/10/87/1430461087.db2.gz FUHWOAKRBUEKSO-MRXNPFEDSA-N 0 1 382.382 3.366 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@](C)(O)c1ccsc1 ZINC000182404856 1430461488 /nfs/dbraw/zinc/46/14/88/1430461488.db2.gz RCQCTTDTFMVEPI-HXUWFJFHSA-N 0 1 385.489 3.108 20 0 GGADMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000182407967 1430461992 /nfs/dbraw/zinc/46/19/92/1430461992.db2.gz AUNOBRKAXNFHGY-UHFFFAOYSA-N 0 1 390.190 3.001 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000182409307 1430462568 /nfs/dbraw/zinc/46/25/68/1430462568.db2.gz PIHQNXXFRGCFFL-KRWDZBQOSA-N 0 1 392.883 3.317 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N[C@H](C)c2ccccc2Cl)cc1 ZINC000182410630 1430462831 /nfs/dbraw/zinc/46/28/31/1430462831.db2.gz RKEPLIHZJWQUSQ-KUHUBIRLSA-N 0 1 376.884 3.239 20 0 GGADMN CC[C@@H](C)Oc1cc(CNC(=O)NC[C@H](c2cccs2)N(C)C)ccn1 ZINC000182413068 1430463310 /nfs/dbraw/zinc/46/33/10/1430463310.db2.gz JFHRRPCQCFJMNI-GDBMZVCRSA-N 0 1 376.526 3.423 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)C2(C(N)=O)CCCC2)c1 ZINC000182413953 1430463352 /nfs/dbraw/zinc/46/33/52/1430463352.db2.gz YWEHVMGJJSLEFF-UHFFFAOYSA-N 0 1 379.504 3.189 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1)c1cccs1 ZINC000182417644 1430464290 /nfs/dbraw/zinc/46/42/90/1430464290.db2.gz VJOOYSLMVHWKKL-CVEARBPZSA-N 0 1 381.542 3.116 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)NC[C@H]1COC2(CCCCCC2)O1 ZINC000182418060 1430464573 /nfs/dbraw/zinc/46/45/73/1430464573.db2.gz CTGKYTLSZBHSKR-ZWKOTPCHSA-N 0 1 391.512 3.182 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 ZINC000182421343 1430465139 /nfs/dbraw/zinc/46/51/39/1430465139.db2.gz XICOMHVEQCDNTO-LBPRGKRZSA-N 0 1 380.366 3.401 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000182463993 1430471917 /nfs/dbraw/zinc/47/19/17/1430471917.db2.gz NNTZSDCKQNXVHN-UHFFFAOYSA-N 0 1 381.402 3.451 20 0 GGADMN C[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC000182467319 1430472652 /nfs/dbraw/zinc/47/26/52/1430472652.db2.gz CXTNQCFPUYTVAQ-ZDUSSCGKSA-N 0 1 386.414 3.158 20 0 GGADMN C[C@@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC000182467338 1430472664 /nfs/dbraw/zinc/47/26/64/1430472664.db2.gz CXTNQCFPUYTVAQ-CYBMUJFWSA-N 0 1 386.414 3.158 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)nn1-c1ccc(C)cc1 ZINC000182481494 1430475092 /nfs/dbraw/zinc/47/50/92/1430475092.db2.gz ZVTSJDWRHNRUQF-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCN1Cc1ccccc1 ZINC000182485309 1430475332 /nfs/dbraw/zinc/47/53/32/1430475332.db2.gz XLVQADAJUPVCRL-LJQANCHMSA-N 0 1 393.487 3.144 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc(F)c1F ZINC000182485067 1430475419 /nfs/dbraw/zinc/47/54/19/1430475419.db2.gz IIQCQAMMFILTOA-UHFFFAOYSA-N 0 1 394.355 3.207 20 0 GGADMN COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182487992 1430476055 /nfs/dbraw/zinc/47/60/55/1430476055.db2.gz XVIVPTUEGQBUIH-UHFFFAOYSA-N 0 1 381.428 3.454 20 0 GGADMN COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182487992 1430476056 /nfs/dbraw/zinc/47/60/56/1430476056.db2.gz XVIVPTUEGQBUIH-UHFFFAOYSA-N 0 1 381.428 3.454 20 0 GGADMN CC[N@H+](C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000182487937 1430476110 /nfs/dbraw/zinc/47/61/10/1430476110.db2.gz NZAKRWYUKHUBGJ-HXUWFJFHSA-N 0 1 382.485 3.338 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000182487937 1430476113 /nfs/dbraw/zinc/47/61/13/1430476113.db2.gz NZAKRWYUKHUBGJ-HXUWFJFHSA-N 0 1 382.485 3.338 20 0 GGADMN COc1cccc(Oc2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cn2)c1 ZINC000182488954 1430476232 /nfs/dbraw/zinc/47/62/32/1430476232.db2.gz MQPYFRKAHUBBIG-OALUTQOASA-N 0 1 390.505 3.328 20 0 GGADMN COc1ccc(Oc2cc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)ccn2)cc1 ZINC000182493391 1430477235 /nfs/dbraw/zinc/47/72/35/1430477235.db2.gz JQEJLAZYOURTTI-OALUTQOASA-N 0 1 390.505 3.328 20 0 GGADMN CCC[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCN1Cc1ccccc1 ZINC000182495736 1430477474 /nfs/dbraw/zinc/47/74/74/1430477474.db2.gz HOBQAIVWKMSYQU-YADHBBJMSA-N 0 1 397.563 3.148 20 0 GGADMN CC[C@H](NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1c(C)noc1C ZINC000182495804 1430477539 /nfs/dbraw/zinc/47/75/39/1430477539.db2.gz ZLKVFNOXWJPKBL-SFHVURJKSA-N 0 1 393.509 3.155 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)CCN1Cc1ccccc1 ZINC000182497005 1430477929 /nfs/dbraw/zinc/47/79/29/1430477929.db2.gz GPXLCNGFMGNWJN-FQEVSTJZSA-N 0 1 393.535 3.204 20 0 GGADMN CCc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(=O)[nH]1 ZINC000182497606 1430478340 /nfs/dbraw/zinc/47/83/40/1430478340.db2.gz YQQPUGZITMMHBD-BFUOFWGJSA-N 0 1 391.874 3.153 20 0 GGADMN CCc1cc(=O)c2cc(NS(=O)(=O)c3ccccc3OC(F)F)ccc2[nH]1 ZINC000182499160 1430478706 /nfs/dbraw/zinc/47/87/06/1430478706.db2.gz XFUSKZPYGFSTNW-UHFFFAOYSA-N 0 1 394.399 3.493 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000182499270 1430478744 /nfs/dbraw/zinc/47/87/44/1430478744.db2.gz BDLHJGYAPVBBKX-HOTGVXAUSA-N 0 1 392.521 3.143 20 0 GGADMN COCCC[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000182505596 1430479981 /nfs/dbraw/zinc/47/99/81/1430479981.db2.gz CVKCUTOVCLLCES-CQSZACIVSA-N 0 1 387.446 3.458 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)ccc1OCc1ccccc1 ZINC000182510027 1430480667 /nfs/dbraw/zinc/48/06/67/1430480667.db2.gz NBZRLUWJWFDXJX-JKSUJKDBSA-N 0 1 377.506 3.358 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000182509944 1430480880 /nfs/dbraw/zinc/48/08/80/1430480880.db2.gz BINJHNXOZGLTNW-LBPRGKRZSA-N 0 1 396.365 3.281 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000182518363 1430482258 /nfs/dbraw/zinc/48/22/58/1430482258.db2.gz JCFNVLKINBDVSE-RBUKOAKNSA-N 0 1 378.538 3.261 20 0 GGADMN O=S(=O)(Nc1cccc(Br)n1)c1ccc(OCC(F)F)cc1 ZINC000182531885 1430484524 /nfs/dbraw/zinc/48/45/24/1430484524.db2.gz ADZRTFDESRZYQD-UHFFFAOYSA-N 0 1 393.209 3.289 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccnn2Cc2cccs2)c1 ZINC000182531899 1430484581 /nfs/dbraw/zinc/48/45/81/1430484581.db2.gz DYLXPHKTFQQGDS-AWEZNQCLSA-N 0 1 397.504 3.241 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)N(C)CCCOc2ccccc2)c1 ZINC000182532998 1430484916 /nfs/dbraw/zinc/48/49/16/1430484916.db2.gz LEDKSAUNFNQMGV-KRWDZBQOSA-N 0 1 383.492 3.223 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCCCOC2CCCCC2)c1 ZINC000182532952 1430485119 /nfs/dbraw/zinc/48/51/19/1430485119.db2.gz AUWOEWIKEGDEQT-INIZCTEOSA-N 0 1 375.513 3.151 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182533466 1430485161 /nfs/dbraw/zinc/48/51/61/1430485161.db2.gz NHMSTYFLQJYPFR-ZDUSSCGKSA-N 0 1 389.883 3.274 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000182533482 1430485170 /nfs/dbraw/zinc/48/51/70/1430485170.db2.gz NHMSTYFLQJYPFR-CYBMUJFWSA-N 0 1 389.883 3.274 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@](C)(O)c1ccccc1 ZINC000182534841 1430485392 /nfs/dbraw/zinc/48/53/92/1430485392.db2.gz ABLVMDVOMTXBAO-QHCPKHFHSA-N 0 1 397.519 3.073 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCCc2nc3ccccc3s2)c1 ZINC000182538174 1430486114 /nfs/dbraw/zinc/48/61/14/1430486114.db2.gz CSTMQKIYCWKAMW-CQSZACIVSA-N 0 1 396.516 3.264 20 0 GGADMN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000182539825 1430486565 /nfs/dbraw/zinc/48/65/65/1430486565.db2.gz HRLCZGHFLLVLCY-UHFFFAOYSA-N 0 1 394.403 3.020 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000182547300 1430488459 /nfs/dbraw/zinc/48/84/59/1430488459.db2.gz KUVMQNXJXHDDSA-UHFFFAOYSA-N 0 1 391.531 3.111 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCCCOc2cccc(C)c2)c1 ZINC000182550199 1430489326 /nfs/dbraw/zinc/48/93/26/1430489326.db2.gz HZRYAKPVRAKDBU-QGZVFWFLSA-N 0 1 383.492 3.189 20 0 GGADMN CCCOc1cccc(CNC(=O)CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000182555244 1430491015 /nfs/dbraw/zinc/49/10/15/1430491015.db2.gz YBRQLTKMZHJECZ-MRXNPFEDSA-N 0 1 383.492 3.401 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000182559412 1430492058 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20 0 GGADMN CCN(CC)C(=O)CCC1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000182570871 1430494837 /nfs/dbraw/zinc/49/48/37/1430494837.db2.gz OZZRXPDZSXLIEI-UHFFFAOYSA-N 0 1 378.488 3.473 20 0 GGADMN CCN(CC)C(=O)CCC1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000182572525 1430495383 /nfs/dbraw/zinc/49/53/83/1430495383.db2.gz RRRUJMLIBFQWJH-QGZVFWFLSA-N 0 1 391.531 3.191 20 0 GGADMN COC(=O)Nc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1F ZINC000182585429 1430497376 /nfs/dbraw/zinc/49/73/76/1430497376.db2.gz GWCPVFJMXCNCSR-AWEZNQCLSA-N 0 1 380.445 3.490 20 0 GGADMN C[C@@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N1CCCCC1 ZINC000182595947 1430499369 /nfs/dbraw/zinc/49/93/69/1430499369.db2.gz GUPWNXQHMUXCNW-QRWLVFNGSA-N 0 1 391.943 3.288 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccccc1 ZINC000182596656 1430499663 /nfs/dbraw/zinc/49/96/63/1430499663.db2.gz SLOUBVZZIBGERY-RTWAWAEBSA-N 0 1 399.922 3.374 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000182603093 1430500731 /nfs/dbraw/zinc/50/07/31/1430500731.db2.gz CLYYCNULAZHTFV-PKOBYXMFSA-N 0 1 378.469 3.458 20 0 GGADMN Cc1ccc(CN(CCO)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000182606603 1430501475 /nfs/dbraw/zinc/50/14/75/1430501475.db2.gz UBDHBYQGJQBKCL-UHFFFAOYSA-N 0 1 399.510 3.303 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(CCO)Cc2ccc(C)cc2)N2CCCC2)o1 ZINC000182615284 1430502931 /nfs/dbraw/zinc/50/29/31/1430502931.db2.gz HOQPUUZEOOJHBM-HXUWFJFHSA-N 0 1 385.508 3.237 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N(CCO)Cc2ccc(C)cc2)N2CCCC2)o1 ZINC000182615268 1430502940 /nfs/dbraw/zinc/50/29/40/1430502940.db2.gz HOQPUUZEOOJHBM-FQEVSTJZSA-N 0 1 385.508 3.237 20 0 GGADMN COC(=O)c1ccc(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)o1 ZINC000182618972 1430503554 /nfs/dbraw/zinc/50/35/54/1430503554.db2.gz IXLBHQAZSKRMGK-HXUWFJFHSA-N 0 1 381.428 3.468 20 0 GGADMN COC(=O)c1ccc(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)o1 ZINC000182618949 1430503679 /nfs/dbraw/zinc/50/36/79/1430503679.db2.gz IXLBHQAZSKRMGK-FQEVSTJZSA-N 0 1 381.428 3.468 20 0 GGADMN COC(=O)C1(NC(=O)CN[C@H](C)c2ccc(OC(C)C)cc2)CCCCC1 ZINC000182629857 1430505364 /nfs/dbraw/zinc/50/53/64/1430505364.db2.gz JJMMRIJSRUWEAH-MRXNPFEDSA-N 0 1 376.497 3.117 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN[C@H](C)c2cc3ccccc3o2)CC1 ZINC000182636809 1430506982 /nfs/dbraw/zinc/50/69/82/1430506982.db2.gz RYDBKVOQEVTSPB-QGZVFWFLSA-N 0 1 399.535 3.484 20 0 GGADMN COCCOc1ccc(CNC(=O)CN[C@H](C)c2cc3ccccc3o2)cc1 ZINC000182636686 1430507008 /nfs/dbraw/zinc/50/70/08/1430507008.db2.gz QBTFTFKNMWCSTJ-MRXNPFEDSA-N 0 1 382.460 3.425 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNCCc1nc(C)c(C)s1 ZINC000182646521 1430509133 /nfs/dbraw/zinc/50/91/33/1430509133.db2.gz DIRFWLNSUYQTOV-UHFFFAOYSA-N 0 1 384.505 3.455 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CN1CCSC1=S ZINC000182648857 1430509808 /nfs/dbraw/zinc/50/98/08/1430509808.db2.gz ZGUSJZLYNKQDCO-SJPCQFCGSA-N 0 1 375.563 3.045 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CN2C[C@H](c3ccccc3F)CC2=O)C1 ZINC000182665893 1430513249 /nfs/dbraw/zinc/51/32/49/1430513249.db2.gz WNAMXIPFVYGNGO-KZNAEPCWSA-N 0 1 389.515 3.116 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1-n1ccnn1 ZINC000182674357 1430514674 /nfs/dbraw/zinc/51/46/74/1430514674.db2.gz OWGJHONSJLVKBG-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@H](C)C[C@H](O)c1ccco1 ZINC000182677625 1430515434 /nfs/dbraw/zinc/51/54/34/1430515434.db2.gz MYPIAKIKOOZWGM-QAPCUYQASA-N 0 1 383.448 3.244 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CN2C[C@H](c3ccccc3F)CC2=O)C1 ZINC000182703651 1430521686 /nfs/dbraw/zinc/52/16/86/1430521686.db2.gz GRQDOHZRVFXLAK-DLBZAZTESA-N 0 1 376.472 3.154 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)CCc2ccc(Cl)cc2Cl)[nH]c1C ZINC000182713793 1430524429 /nfs/dbraw/zinc/52/44/29/1430524429.db2.gz RTRAPLLTIRIROO-UHFFFAOYSA-N 0 1 397.262 3.344 20 0 GGADMN CC(=O)c1ccc(NC(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)cc1Cl ZINC000182716544 1430525560 /nfs/dbraw/zinc/52/55/60/1430525560.db2.gz ASMQISJRRBWIBV-UHFFFAOYSA-N 0 1 393.915 3.062 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)C(c2ccccc2)c2ccccc2)[nH]c1C ZINC000182717326 1430525593 /nfs/dbraw/zinc/52/55/93/1430525593.db2.gz VCSLNFNHLSAGAG-UHFFFAOYSA-N 0 1 390.443 3.237 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)[nH]c1C ZINC000182723239 1430527117 /nfs/dbraw/zinc/52/71/17/1430527117.db2.gz IFPPGQCVPLQCCM-GFCCVEGCSA-N 0 1 390.871 3.327 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)[nH]c1C ZINC000182723220 1430527164 /nfs/dbraw/zinc/52/71/64/1430527164.db2.gz IFPPGQCVPLQCCM-LBPRGKRZSA-N 0 1 390.871 3.327 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)[nH]c1C ZINC000182729900 1430528664 /nfs/dbraw/zinc/52/86/64/1430528664.db2.gz WSJGMSOJBJMRLH-MSOLQXFVSA-N 0 1 390.443 3.362 20 0 GGADMN CCOC(=O)c1cnc(=NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)[nH]c1C ZINC000182729938 1430528686 /nfs/dbraw/zinc/52/86/86/1430528686.db2.gz WSJGMSOJBJMRLH-ROUUACIJSA-N 0 1 390.443 3.362 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182735816 1430530488 /nfs/dbraw/zinc/53/04/88/1430530488.db2.gz PLQPXSFCKFMVDL-WOJBJXKFSA-N 0 1 397.523 3.484 20 0 GGADMN C[C@@H](NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1nnc[nH]1 ZINC000182749835 1430532915 /nfs/dbraw/zinc/53/29/15/1430532915.db2.gz CSVQOTYCXGGNSH-AUUYWEPGSA-N 0 1 377.448 3.280 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)N2CCC(C(=O)NCCC(C)C)CC2)c(C)s1 ZINC000182755984 1430534545 /nfs/dbraw/zinc/53/45/45/1430534545.db2.gz LNXQNVKUIPYPFT-INIZCTEOSA-N 0 1 393.597 3.416 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NCc2cccc(C(=O)NC3CC3)c2)c(C)s1 ZINC000182761690 1430535221 /nfs/dbraw/zinc/53/52/21/1430535221.db2.gz HNUZTJVMTGMVGH-CQSZACIVSA-N 0 1 385.533 3.224 20 0 GGADMN COc1cc(CNC(=O)CN[C@@H](C)c2cc(C)sc2C)cc(OC)c1OC ZINC000182763375 1430535837 /nfs/dbraw/zinc/53/58/37/1430535837.db2.gz HXUPIYJLMGGXIV-ZDUSSCGKSA-N 0 1 392.521 3.358 20 0 GGADMN CCCc1c(C(=O)N2CCN(CC3CCOCC3)CC2)cnn1-c1ccccc1 ZINC000182764626 1430536024 /nfs/dbraw/zinc/53/60/24/1430536024.db2.gz VRBLJMWYNNRHFK-UHFFFAOYSA-N 0 1 396.535 3.009 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)s1 ZINC000182765215 1430536117 /nfs/dbraw/zinc/53/61/17/1430536117.db2.gz CFTPVKWFEUKFOF-ZIAGYGMSSA-N 0 1 391.512 3.148 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c(C)s1 ZINC000182765179 1430536215 /nfs/dbraw/zinc/53/62/15/1430536215.db2.gz CFTPVKWFEUKFOF-UONOGXRCSA-N 0 1 391.512 3.148 20 0 GGADMN CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000182789301 1430540252 /nfs/dbraw/zinc/54/02/52/1430540252.db2.gz ZRHSLNANGLFMAF-IBGZPJMESA-N 0 1 389.540 3.462 20 0 GGADMN CCO[C@@H](C)c1nc(CN2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)cs1 ZINC000182800462 1430542263 /nfs/dbraw/zinc/54/22/63/1430542263.db2.gz VDUMEUAVKPSIKD-YSSFQJQWSA-N 0 1 387.549 3.017 20 0 GGADMN CCO[C@H](C)c1nc(CN2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)cs1 ZINC000182800481 1430542331 /nfs/dbraw/zinc/54/23/31/1430542331.db2.gz VDUMEUAVKPSIKD-XPGWFJOJSA-N 0 1 387.549 3.017 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000182819561 1430546498 /nfs/dbraw/zinc/54/64/98/1430546498.db2.gz RFANUOGVIWXVED-BEFAXECRSA-N 0 1 389.496 3.330 20 0 GGADMN O=S1(=O)CCC[C@H](N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000182819373 1430546602 /nfs/dbraw/zinc/54/66/02/1430546602.db2.gz CELJRNJYXRPNSH-PKOBYXMFSA-N 0 1 387.480 3.084 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(Cc3ccccc3)CC(C)(C)O)n[nH]2)c1 ZINC000182835936 1430550517 /nfs/dbraw/zinc/55/05/17/1430550517.db2.gz DMLPUKIOTPNKAY-UHFFFAOYSA-N 0 1 379.460 3.499 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182853574 1430553985 /nfs/dbraw/zinc/55/39/85/1430553985.db2.gz PCKMEVVMGIMONU-QXSJWSMHSA-N 0 1 386.462 3.432 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1c(F)cc(Cl)cc1F ZINC000182855086 1430554417 /nfs/dbraw/zinc/55/44/17/1430554417.db2.gz SMMWTNDBHRAKFW-HUUCEWRRSA-N 0 1 395.837 3.375 20 0 GGADMN CC[C@@H](C)[C@H](NCC(=O)N1CCCC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000182867714 1430557170 /nfs/dbraw/zinc/55/71/70/1430557170.db2.gz 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20 0 GGADMN O=C(NNC(=O)c1cc2ccccc2o1)Nc1cncc(Br)c1 ZINC000183387346 1430697392 /nfs/dbraw/zinc/69/73/92/1430697392.db2.gz INIJFGVDTRHBCB-UHFFFAOYSA-N 0 1 375.182 3.057 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)CCc3ccc(O)cc3)cc2)C[C@H](C)O1 ZINC000183390974 1430699393 /nfs/dbraw/zinc/69/93/93/1430699393.db2.gz WVVDQRGUMBNFHH-ROUUACIJSA-N 0 1 382.504 3.250 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1)c1nnc[nH]1 ZINC000183393377 1430700109 /nfs/dbraw/zinc/70/01/09/1430700109.db2.gz RBGJBWZUNGCXCV-ZIAGYGMSSA-N 0 1 377.448 3.356 20 0 GGADMN CC(C)n1c2ccc(C(=O)N(C)C[C@H](C)c3nn[nH]n3)cc2nc1C(F)(F)F ZINC000183394410 1430700311 /nfs/dbraw/zinc/70/03/11/1430700311.db2.gz PEQLKSDUDVKCFA-JTQLQIEISA-N 0 1 395.389 3.025 20 0 GGADMN O=C1CCCCCN1CCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183395499 1430700403 /nfs/dbraw/zinc/70/04/03/1430700403.db2.gz IVCTXQAKVMWZEF-UHFFFAOYSA-N 0 1 396.322 3.456 20 0 GGADMN Cc1c([C@H](C)NCC(=O)NCc2ccc(COc3ccccc3)cc2)cnn1C ZINC000183394881 1430700454 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PSBOKVTYZRZYQM-CJNGLKHVSA-N 0 1 381.542 3.073 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](CC)c2nc(C)cs2)CC1 ZINC000183498384 1430728250 /nfs/dbraw/zinc/72/82/50/1430728250.db2.gz PSBOKVTYZRZYQM-CZUORRHYSA-N 0 1 381.542 3.073 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183498586 1430728457 /nfs/dbraw/zinc/72/84/57/1430728457.db2.gz MXCFDEJZESXWED-VQIMIIECSA-N 0 1 390.505 3.143 20 0 GGADMN COc1cc(F)c([C@H](C)NC[C@@H](O)COc2cccc3[nH]ccc32)cc1OC ZINC000183506255 1430730559 /nfs/dbraw/zinc/73/05/59/1430730559.db2.gz GVQKIJVTCFXGKI-UONOGXRCSA-N 0 1 388.439 3.415 20 0 GGADMN COc1cc(F)c([C@@H](C)NC[C@H](O)COc2cccc3[nH]ccc32)cc1OC ZINC000183506238 1430730668 /nfs/dbraw/zinc/73/06/68/1430730668.db2.gz GVQKIJVTCFXGKI-KGLIPLIRSA-N 0 1 388.439 3.415 20 0 GGADMN CNc1nnc(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)s1 ZINC000183526207 1430735068 /nfs/dbraw/zinc/73/50/68/1430735068.db2.gz BHIDZIXIUPMVSR-UHFFFAOYSA-N 0 1 391.460 3.213 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000183531737 1430736255 /nfs/dbraw/zinc/73/62/55/1430736255.db2.gz JZVLHAVBTLPPND-UGSOOPFHSA-N 0 1 393.553 3.073 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000183532295 1430736456 /nfs/dbraw/zinc/73/64/56/1430736456.db2.gz IRWAFKVIGAWWRY-ACJLOTCBSA-N 0 1 393.553 3.073 20 0 GGADMN Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(OCC2CC2)nc1 ZINC000183531426 1430736480 /nfs/dbraw/zinc/73/64/80/1430736480.db2.gz SYVKBZFARIGHLQ-QFIPXVFZSA-N 0 1 381.520 3.342 20 0 GGADMN Cc1nc2ccc(NC(=O)NNC(=O)c3ccc(Br)s3)cc2o1 ZINC000183535309 1430737008 /nfs/dbraw/zinc/73/70/08/1430737008.db2.gz JKLFFPFYTCFPTA-UHFFFAOYSA-N 0 1 395.238 3.427 20 0 GGADMN O=C(NCCCN[C@H](c1ccccc1)c1ccc(F)cn1)c1cccc(O)c1 ZINC000183540353 1430738367 /nfs/dbraw/zinc/73/83/67/1430738367.db2.gz SIJMDFYNVUQHML-OAQYLSRUSA-N 0 1 379.435 3.425 20 0 GGADMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000183548677 1430739961 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GGADMN CN(C)[C@H](CNC(=O)COc1ccc(C=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000183896071 1430810182 /nfs/dbraw/zinc/81/01/82/1430810182.db2.gz LRPASZCYNSQDLD-GOSISDBHSA-N 0 1 394.393 3.316 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1ccc(C=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000183896050 1430810193 /nfs/dbraw/zinc/81/01/93/1430810193.db2.gz LRPASZCYNSQDLD-SFHVURJKSA-N 0 1 394.393 3.316 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1cccc(C=O)c1)c1cccc(C(F)(F)F)c1 ZINC000183895404 1430810206 /nfs/dbraw/zinc/81/02/06/1430810206.db2.gz KKUJRRZZUUDLHZ-SFHVURJKSA-N 0 1 394.393 3.316 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183899246 1430810376 /nfs/dbraw/zinc/81/03/76/1430810376.db2.gz WMOJOYGITALSBA-KBPBESRZSA-N 0 1 384.423 3.090 20 0 GGADMN CC(C)[C@H](NC(=O)CN1CCC[C@H](C2(C)OCCO2)C1)c1ccc(F)cc1 ZINC000183906092 1430811392 /nfs/dbraw/zinc/81/13/92/1430811392.db2.gz CRXKRKFYRSRAAB-PXNSSMCTSA-N 0 1 378.488 3.114 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSc1n[n-]c(=S)s1 ZINC000183912331 1430812323 /nfs/dbraw/zinc/81/23/23/1430812323.db2.gz ZTQQXNBMZDJCHT-CQSZACIVSA-N 0 1 396.607 3.192 20 0 GGADMN CC1([C@@H]2CCCN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)OCCO1 ZINC000183912487 1430812536 /nfs/dbraw/zinc/81/25/36/1430812536.db2.gz YZRNMDURWAXBOB-NVXWUHKLSA-N 0 1 398.425 3.286 20 0 GGADMN CC1([C@H]2CCCN([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C2)OCCO1 ZINC000183913171 1430812594 /nfs/dbraw/zinc/81/25/94/1430812594.db2.gz AYJJWYDUGYJLRC-SUMWQHHRSA-N 0 1 382.863 3.059 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000183915186 1430812857 /nfs/dbraw/zinc/81/28/57/1430812857.db2.gz MXXHAVAXEDSRLJ-UHFFFAOYSA-N 0 1 394.471 3.320 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000183920009 1430813310 /nfs/dbraw/zinc/81/33/10/1430813310.db2.gz FQIWDMVGGHYZQF-SFHVURJKSA-N 0 1 382.460 3.048 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCOCC2(CCOCC2)C1 ZINC000183949161 1430817443 /nfs/dbraw/zinc/81/74/43/1430817443.db2.gz BOPNJBJXIMIJLK-UHFFFAOYSA-N 0 1 380.395 3.161 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)c1ccco1 ZINC000183956846 1430818451 /nfs/dbraw/zinc/81/84/51/1430818451.db2.gz QHFLEQHJKHZJJT-GOSISDBHSA-N 0 1 399.495 3.009 20 0 GGADMN Cc1csc([C@@H](C)CNC(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000183962215 1430819347 /nfs/dbraw/zinc/81/93/47/1430819347.db2.gz GGESSMJHHFMKSU-INIZCTEOSA-N 0 1 394.585 3.089 20 0 GGADMN CCCOc1ccccc1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000183967882 1430820234 /nfs/dbraw/zinc/82/02/34/1430820234.db2.gz GDXWAVWHNLIZSD-UHFFFAOYSA-N 0 1 381.436 3.494 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCc1cccc2c1OCO2)N1CCCC1 ZINC000183971792 1430820901 /nfs/dbraw/zinc/82/09/01/1430820901.db2.gz HZAJIVZCPVMELP-IBGZPJMESA-N 0 1 396.487 3.310 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000183972008 1430820967 /nfs/dbraw/zinc/82/09/67/1430820967.db2.gz HCXPVIYTPPKUSZ-OAQYLSRUSA-N 0 1 378.476 3.351 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000183979737 1430822317 /nfs/dbraw/zinc/82/23/17/1430822317.db2.gz ATCBRPATOQMJSZ-INIZCTEOSA-N 0 1 376.432 3.245 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N(C)C[C@@H](C)c2nccs2)cc1OC ZINC000183988907 1430824394 /nfs/dbraw/zinc/82/43/94/1430824394.db2.gz DTFUTNRGMZPFRZ-CABCVRRESA-N 0 1 391.537 3.243 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000183991877 1430825181 /nfs/dbraw/zinc/82/51/81/1430825181.db2.gz BCPUMPNPCGJFFS-VXKWHMMOSA-N 0 1 394.519 3.266 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2nn(-c3ccccc3)cc2C)N(C)C)c1 ZINC000183998724 1430826335 /nfs/dbraw/zinc/82/63/35/1430826335.db2.gz IGRSWDSRPAJMQZ-FQEVSTJZSA-N 0 1 378.476 3.222 20 0 GGADMN CCOc1cc2c(cc1CNC(=O)c1ccc(-c3nnc[nH]3)cc1)O[C@H](C)C2 ZINC000183997834 1430826357 /nfs/dbraw/zinc/82/63/57/1430826357.db2.gz MPEQJLFSQFKDIJ-CYBMUJFWSA-N 0 1 378.432 3.124 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCN1Cc1ccccc1 ZINC000183998032 1430826410 /nfs/dbraw/zinc/82/64/10/1430826410.db2.gz SLKXALQWCCTWKU-QGZVFWFLSA-N 0 1 384.455 3.053 20 0 GGADMN CCOc1cc2c(cc1CNC(=O)c1ccc(-c3nnc[nH]3)cc1)O[C@@H](C)C2 ZINC000183997853 1430826415 /nfs/dbraw/zinc/82/64/15/1430826415.db2.gz MPEQJLFSQFKDIJ-ZDUSSCGKSA-N 0 1 378.432 3.124 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(C)c2)CCN1Cc1ccccc1 ZINC000184003340 1430827128 /nfs/dbraw/zinc/82/71/28/1430827128.db2.gz GICVDASLWARQMP-IBGZPJMESA-N 0 1 380.492 3.222 20 0 GGADMN O=S(=O)(c1ccc(-n2cccc2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184004613 1430827581 /nfs/dbraw/zinc/82/75/81/1430827581.db2.gz FARJGRYVVWIWHN-INIZCTEOSA-N 0 1 397.504 3.041 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Cl ZINC000184007109 1430828070 /nfs/dbraw/zinc/82/80/70/1430828070.db2.gz FDRKVNSLOHWEEH-OAHLLOKOSA-N 0 1 394.924 3.212 20 0 GGADMN CCCc1csc(NC(=O)NNC(=O)c2ccc(Br)s2)n1 ZINC000184024054 1430830837 /nfs/dbraw/zinc/83/08/37/1430830837.db2.gz GHZCBYDCTFUJNQ-UHFFFAOYSA-N 0 1 389.300 3.386 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000184026621 1430831271 /nfs/dbraw/zinc/83/12/71/1430831271.db2.gz PEVPBTDVVCFGNP-INIZCTEOSA-N 0 1 391.865 3.361 20 0 GGADMN Cn1nc(C2CCCC2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000184030518 1430831542 /nfs/dbraw/zinc/83/15/42/1430831542.db2.gz NZUGOWQKHCPGLI-UHFFFAOYSA-N 0 1 381.524 3.077 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184033175 1430832137 /nfs/dbraw/zinc/83/21/37/1430832137.db2.gz LNMVHSSVDXYEPA-UHFFFAOYSA-N 0 1 385.464 3.487 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCN1Cc1ccccc1 ZINC000184040139 1430832996 /nfs/dbraw/zinc/83/29/96/1430832996.db2.gz MPWBXLNFGXENKR-QGZVFWFLSA-N 0 1 377.439 3.277 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCN1Cc1ccccc1 ZINC000184040158 1430833034 /nfs/dbraw/zinc/83/30/34/1430833034.db2.gz MPWBXLNFGXENKR-KRWDZBQOSA-N 0 1 377.439 3.277 20 0 GGADMN Cc1nc2ccc(NC(=O)NCc3n[nH]c(COc4ccccc4)n3)cc2o1 ZINC000184040633 1430833064 /nfs/dbraw/zinc/83/30/64/1430833064.db2.gz PVGHXIKUZQXURH-UHFFFAOYSA-N 0 1 378.392 3.155 20 0 GGADMN CCCc1cnc(NC(=O)NNC(=O)c2ccc(Br)s2)s1 ZINC000184057207 1430835578 /nfs/dbraw/zinc/83/55/78/1430835578.db2.gz SICSVTWWAPLDSO-UHFFFAOYSA-N 0 1 389.300 3.386 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnc[nH]3)cc2)c(OC)c1 ZINC000184062252 1430836442 /nfs/dbraw/zinc/83/64/42/1430836442.db2.gz PEAZWQBENRIELF-GOSISDBHSA-N 0 1 378.432 3.466 20 0 GGADMN O=C(Cc1ccc2c(c1)NC(=O)C2)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000184069004 1430837120 /nfs/dbraw/zinc/83/71/20/1430837120.db2.gz QUWPOORBYLZLIN-UHFFFAOYSA-N 0 1 397.906 3.158 20 0 GGADMN C[C@H](NC(=O)CN1CCOCC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000184072051 1430837557 /nfs/dbraw/zinc/83/75/57/1430837557.db2.gz MIBTUEPVFMLVAL-SFHVURJKSA-N 0 1 382.504 3.146 20 0 GGADMN COc1ccccc1C(=O)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000184072114 1430837591 /nfs/dbraw/zinc/83/75/91/1430837591.db2.gz RIIUGNKCLKRPSQ-OAHLLOKOSA-N 0 1 377.444 3.469 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1cn(C)nc1-c1ccccc1 ZINC000184076534 1430838091 /nfs/dbraw/zinc/83/80/91/1430838091.db2.gz YVNJITFBCMAWDN-MRXNPFEDSA-N 0 1 379.460 3.490 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C(=O)c1ccccc1OC ZINC000184081501 1430838714 /nfs/dbraw/zinc/83/87/14/1430838714.db2.gz RVMJZTAXGZINRA-GOSISDBHSA-N 0 1 396.487 3.097 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCOCC2(CCOCC2)C1 ZINC000184085742 1430839312 /nfs/dbraw/zinc/83/93/12/1430839312.db2.gz TWEGHYHSDXBERK-JKSUJKDBSA-N 0 1 380.916 3.035 20 0 GGADMN CCn1c(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)nc2cc(F)ccc21 ZINC000184101182 1430841225 /nfs/dbraw/zinc/84/12/25/1430841225.db2.gz QNKHSHCRIFLIQZ-UHFFFAOYSA-N 0 1 381.415 3.188 20 0 GGADMN Cc1cc(C)n(-c2cccc(NC(=O)NNC(=O)c3ccc(O)c(Cl)c3)c2)n1 ZINC000184116017 1430843294 /nfs/dbraw/zinc/84/32/94/1430843294.db2.gz YOUVZXUXJYBAAU-UHFFFAOYSA-N 0 1 399.838 3.315 20 0 GGADMN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184192839 1430854305 /nfs/dbraw/zinc/85/43/05/1430854305.db2.gz WJEJTOYHJLJZDU-INIZCTEOSA-N 0 1 393.959 3.081 20 0 GGADMN Cc1ccc(CS(=O)(=O)Nc2nc(SCc3ccccc3)n[nH]2)cc1F ZINC000184203460 1430855997 /nfs/dbraw/zinc/85/59/97/1430855997.db2.gz RJXFBWAFTGQSHB-UHFFFAOYSA-N 0 1 392.481 3.486 20 0 GGADMN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)C1(N2CCOCC2)CCCC1 ZINC000184216634 1430857760 /nfs/dbraw/zinc/85/77/60/1430857760.db2.gz BMGNGBSFODVSCQ-NUEKZKHPSA-N 0 1 396.453 3.357 20 0 GGADMN Cc1nc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(-c2ccccc2)o1 ZINC000184230353 1430859689 /nfs/dbraw/zinc/85/96/89/1430859689.db2.gz JCVCDHGRNOTCMS-PMACEKPBSA-N 0 1 391.471 3.015 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000184241701 1430861127 /nfs/dbraw/zinc/86/11/27/1430861127.db2.gz UXGYYZPSKNXORX-MDZDMXLPSA-N 0 1 394.880 3.463 20 0 GGADMN CCOCc1cccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000184263021 1430864320 /nfs/dbraw/zinc/86/43/20/1430864320.db2.gz HTUJPUADAVJQGA-UHFFFAOYSA-N 0 1 381.436 3.242 20 0 GGADMN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1cn[nH]c1-c1ccccc1 ZINC000184286628 1430868492 /nfs/dbraw/zinc/86/84/92/1430868492.db2.gz IABYGCTVDBIGFO-UHFFFAOYSA-N 0 1 388.427 3.368 20 0 GGADMN COc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1OC(C)C ZINC000184306743 1430871206 /nfs/dbraw/zinc/87/12/06/1430871206.db2.gz HVSDGRWDIOBUKP-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN COC[C@H](NCCCS(=O)(=O)c1ccccc1OC)c1ccc(F)c(F)c1 ZINC000184310615 1430871704 /nfs/dbraw/zinc/87/17/04/1430871704.db2.gz LXYIDHVZSVOBEG-KRWDZBQOSA-N 0 1 399.459 3.115 20 0 GGADMN COc1ccc2oc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(C)C)c(C)c2c1 ZINC000184323117 1430873330 /nfs/dbraw/zinc/87/33/30/1430873330.db2.gz NXSRXWMADMWLFN-ZIAGYGMSSA-N 0 1 375.469 3.271 20 0 GGADMN COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3C(N)=O)c(C)c2c1 ZINC000184331044 1430873937 /nfs/dbraw/zinc/87/39/37/1430873937.db2.gz ZGXZIRWQZMNNMP-ZDUSSCGKSA-N 0 1 381.432 3.138 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCO[C@H](C)C1 ZINC000184343845 1430875518 /nfs/dbraw/zinc/87/55/18/1430875518.db2.gz BXQYGJNHCIKRPN-OLZOCXBDSA-N 0 1 377.485 3.156 20 0 GGADMN CCCCCS(=O)(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000184379923 1430880895 /nfs/dbraw/zinc/88/08/95/1430880895.db2.gz FPRCMMCRXVWVTK-INIZCTEOSA-N 0 1 385.549 3.138 20 0 GGADMN COc1ccc(CN(C)C(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OC(F)F ZINC000184385967 1430881549 /nfs/dbraw/zinc/88/15/49/1430881549.db2.gz QOBZOUDPVKABCA-UHFFFAOYSA-N 0 1 388.374 3.354 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2nc3ccccn3n2)N2CCCCC2)cc1 ZINC000184389336 1430882059 /nfs/dbraw/zinc/88/20/59/1430882059.db2.gz VVDXLNXTYQOYHM-SFHVURJKSA-N 0 1 394.479 3.087 20 0 GGADMN CC[C@H](NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1nc(C)cs1 ZINC000184390561 1430882158 /nfs/dbraw/zinc/88/21/58/1430882158.db2.gz FWBLGYVZRJLVTK-SFHVURJKSA-N 0 1 390.528 3.370 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2nc3ccccn3n2)N2CCCCC2)cc1 ZINC000184389316 1430882188 /nfs/dbraw/zinc/88/21/88/1430882188.db2.gz VVDXLNXTYQOYHM-GOSISDBHSA-N 0 1 394.479 3.087 20 0 GGADMN CC(C)(C)c1cc(NC(=O)N2CCN3CCCC[C@H]3C2)n(-c2ccccn2)n1 ZINC000184395283 1430882594 /nfs/dbraw/zinc/88/25/94/1430882594.db2.gz NWMHETSHDNIRMD-INIZCTEOSA-N 0 1 382.512 3.267 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 ZINC000184396365 1430882735 /nfs/dbraw/zinc/88/27/35/1430882735.db2.gz IWQKJTNTGZMOTH-UHFFFAOYSA-N 0 1 384.528 3.370 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1nc2ccccn2n1 ZINC000184400270 1430883081 /nfs/dbraw/zinc/88/30/81/1430883081.db2.gz DAJNTNIELQKAJW-UHFFFAOYSA-N 0 1 398.898 3.416 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCc3c2cccc3F)N(C)C)cc1OC ZINC000184409197 1430884526 /nfs/dbraw/zinc/88/45/26/1430884526.db2.gz AOURCBFJGZGACJ-GOSISDBHSA-N 0 1 387.455 3.218 20 0 GGADMN C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000184411649 1430884765 /nfs/dbraw/zinc/88/47/65/1430884765.db2.gz XHNPJBKCEAAIIQ-UHFFFAOYSA-N 0 1 376.545 3.402 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](NCCC1(C)OCCO1)c1ccccc1 ZINC000184410670 1430884841 /nfs/dbraw/zinc/88/48/41/1430884841.db2.gz QTZQEKROUUWESG-FQEVSTJZSA-N 0 1 384.476 3.426 20 0 GGADMN CC(C)(C)c1cc(NC(=O)N2CCN(CC3CC3)CC2)n(-c2ccccn2)n1 ZINC000184417306 1430885341 /nfs/dbraw/zinc/88/53/41/1430885341.db2.gz UUDBFGIIRVQFNZ-UHFFFAOYSA-N 0 1 382.512 3.124 20 0 GGADMN COCc1ccc([C@H]2CCCN2C(=O)NC2CCN(Cc3ccncc3)CC2)o1 ZINC000184415601 1430885369 /nfs/dbraw/zinc/88/53/69/1430885369.db2.gz CBJNPLOKDKRVKV-HXUWFJFHSA-N 0 1 398.507 3.332 20 0 GGADMN CC[C@H](NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1nc(C)cs1 ZINC000184417263 1430885406 /nfs/dbraw/zinc/88/54/06/1430885406.db2.gz GCNSIVPNUOSSLN-KRWDZBQOSA-N 0 1 395.550 3.315 20 0 GGADMN C[C@H](NCC(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1nccs1 ZINC000184424440 1430886360 /nfs/dbraw/zinc/88/63/60/1430886360.db2.gz HGXVSGIATNZNRC-KRWDZBQOSA-N 0 1 394.544 3.291 20 0 GGADMN C[C@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000184446810 1430888946 /nfs/dbraw/zinc/88/89/46/1430888946.db2.gz QPTFENYWROIPFT-LJQANCHMSA-N 0 1 393.531 3.126 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000184458358 1430890107 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ZINC000185290163 1431100527 /nfs/dbraw/zinc/10/05/27/1431100527.db2.gz KTNUAFZMKYMDLB-CQSZACIVSA-N 0 1 378.469 3.225 20 0 GGADMN C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1N(C)C ZINC000185289806 1431100706 /nfs/dbraw/zinc/10/07/06/1431100706.db2.gz JEHZOAGGEGCHQW-HNNXBMFYSA-N 0 1 391.512 3.282 20 0 GGADMN COc1ccc([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)c(F)c1 ZINC000185290146 1431100836 /nfs/dbraw/zinc/10/08/36/1431100836.db2.gz KTNUAFZMKYMDLB-AWEZNQCLSA-N 0 1 378.469 3.225 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000185292249 1431101312 /nfs/dbraw/zinc/10/13/12/1431101312.db2.gz KNDPDGZWOCKFJU-KRWDZBQOSA-N 0 1 376.416 3.220 20 0 GGADMN C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cc(F)c(F)c(F)c1 ZINC000185290559 1431101479 /nfs/dbraw/zinc/10/14/79/1431101479.db2.gz KYOZITXNDSTEGI-GFCCVEGCSA-N 0 1 384.423 3.495 20 0 GGADMN CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CCN1CCOC ZINC000185306563 1431107624 /nfs/dbraw/zinc/10/76/24/1431107624.db2.gz UADPRLZAXKKFCD-BZUAXINKSA-N 0 1 384.442 3.167 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@@H]1CCCOc2ccccc21 ZINC000185311413 1431109607 /nfs/dbraw/zinc/10/96/07/1431109607.db2.gz XZRXPEVFJDOAMZ-QGZVFWFLSA-N 0 1 393.447 3.097 20 0 GGADMN COc1ccnc(N2CCN(C(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)c1 ZINC000185322260 1431113242 /nfs/dbraw/zinc/11/32/42/1431113242.db2.gz ODKLQIAZOXWFON-INIZCTEOSA-N 0 1 378.476 3.034 20 0 GGADMN C[C@H](NC(=O)N1CCCC[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000185327631 1431115684 /nfs/dbraw/zinc/11/56/84/1431115684.db2.gz GIZIDGUNMNCLSC-IRXDYDNUSA-N 0 1 376.520 3.470 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc12 ZINC000185339135 1431119080 /nfs/dbraw/zinc/11/90/80/1431119080.db2.gz DGDWBJUBKWSLJB-AWEZNQCLSA-N 0 1 393.447 3.081 20 0 GGADMN Cc1ccc(C(C)(C)CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000185339734 1431119907 /nfs/dbraw/zinc/11/99/07/1431119907.db2.gz WDURTOZGAYJACF-UHFFFAOYSA-N 0 1 393.491 3.469 20 0 GGADMN CC[C@H]1CCCC[C@H]1OCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000185339430 1431119966 /nfs/dbraw/zinc/11/99/66/1431119966.db2.gz ZBHYRFGDQGHSEN-LEWJYISDSA-N 0 1 380.573 3.323 20 0 GGADMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000185342604 1431120543 /nfs/dbraw/zinc/12/05/43/1431120543.db2.gz WDDVWEZHUQJXTM-AUUYWEPGSA-N 0 1 392.421 3.225 20 0 GGADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1N(C)C ZINC000185341658 1431120599 /nfs/dbraw/zinc/12/05/99/1431120599.db2.gz MIQUDFXXQXFLRU-UWJYYQICSA-N 0 1 399.510 3.012 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CCN1Cc1ccccc1 ZINC000185344567 1431120794 /nfs/dbraw/zinc/12/07/94/1431120794.db2.gz OQRFNYACBLOVHJ-OAHLLOKOSA-N 0 1 393.409 3.130 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CCN1Cc1ccccc1 ZINC000185344587 1431120812 /nfs/dbraw/zinc/12/08/12/1431120812.db2.gz OQRFNYACBLOVHJ-HNNXBMFYSA-N 0 1 393.409 3.130 20 0 GGADMN CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1OC ZINC000185345932 1431121294 /nfs/dbraw/zinc/12/12/94/1431121294.db2.gz IEOLUKZLRLHEGZ-NHCUHLMSSA-N 0 1 382.504 3.206 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185345512 1431121307 /nfs/dbraw/zinc/12/13/07/1431121307.db2.gz SPZQUSBVDZPKAL-NQIIRXRSSA-N 0 1 382.504 3.124 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](CC)C2)C1 ZINC000185349399 1431122475 /nfs/dbraw/zinc/12/24/75/1431122475.db2.gz NTMPFAMTDKVSMC-LEWJYISDSA-N 0 1 385.552 3.148 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185348949 1431122692 /nfs/dbraw/zinc/12/26/92/1431122692.db2.gz HZOJWWHLVHIUBR-KXBFYZLASA-N 0 1 388.895 3.166 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000185349001 1431122856 /nfs/dbraw/zinc/12/28/56/1431122856.db2.gz HZOJWWHLVHIUBR-DNVCBOLYSA-N 0 1 388.895 3.166 20 0 GGADMN CCc1nc(C)c([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)s1 ZINC000185351834 1431123358 /nfs/dbraw/zinc/12/33/58/1431123358.db2.gz CQHJLYQLKZAAFR-MAUKXSAKSA-N 0 1 387.549 3.135 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185353572 1431124100 /nfs/dbraw/zinc/12/41/00/1431124100.db2.gz UHHJLKMFBJRBMV-PBHICJAKSA-N 0 1 397.441 3.060 20 0 GGADMN CC[C@@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1nc(C)cs1 ZINC000185356909 1431124439 /nfs/dbraw/zinc/12/44/39/1431124439.db2.gz IDDOKKCEYOTBEW-CQSZACIVSA-N 0 1 386.481 3.099 20 0 GGADMN CC[C@@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)CCN1Cc1ccccc1 ZINC000185356391 1431124802 /nfs/dbraw/zinc/12/48/02/1431124802.db2.gz DQGXUZNDCGMULZ-GOSISDBHSA-N 0 1 394.475 3.385 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CCN1Cc1ccccc1 ZINC000185359140 1431125943 /nfs/dbraw/zinc/12/59/43/1431125943.db2.gz FXTITDNEYNWGPO-QFIPXVFZSA-N 0 1 391.515 3.332 20 0 GGADMN Cc1ccc(C[C@@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c(C)c1 ZINC000185369513 1431128187 /nfs/dbraw/zinc/12/81/87/1431128187.db2.gz YJWPGVPNXHHMSR-QGZVFWFLSA-N 0 1 393.491 3.431 20 0 GGADMN Cc1ncc(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)s1 ZINC000185383258 1431131572 /nfs/dbraw/zinc/13/15/72/1431131572.db2.gz ZOMCQYNOKFEJPJ-UHFFFAOYSA-N 0 1 393.266 3.280 20 0 GGADMN Cc1ncc(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)s1 ZINC000185383258 1431131577 /nfs/dbraw/zinc/13/15/77/1431131577.db2.gz ZOMCQYNOKFEJPJ-UHFFFAOYSA-N 0 1 393.266 3.280 20 0 GGADMN CCCCOCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185383186 1431131684 /nfs/dbraw/zinc/13/16/84/1431131684.db2.gz WFPQVVFYTRBDQX-UHFFFAOYSA-N 0 1 382.258 3.018 20 0 GGADMN CCCCOCC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185383186 1431131688 /nfs/dbraw/zinc/13/16/88/1431131688.db2.gz WFPQVVFYTRBDQX-UHFFFAOYSA-N 0 1 382.258 3.018 20 0 GGADMN Cc1oc2ccc(NC(=O)Cc3c(C)nc(-c4ncccn4)[nH]c3=O)cc2c1C ZINC000185385214 1431132628 /nfs/dbraw/zinc/13/26/28/1431132628.db2.gz USUCZOQQTIBCPV-UHFFFAOYSA-N 0 1 389.415 3.080 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)c1 ZINC000185387204 1431133176 /nfs/dbraw/zinc/13/31/76/1431133176.db2.gz CIUQCFWFCMNZAP-ZDUSSCGKSA-N 0 1 386.473 3.420 20 0 GGADMN Cc1c(-c2cc(CN3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)on2)cnn1C ZINC000185390484 1431134152 /nfs/dbraw/zinc/13/41/52/1431134152.db2.gz LGPIYUCUYCNBKQ-CYBMUJFWSA-N 0 1 394.401 3.436 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000185400189 1431136471 /nfs/dbraw/zinc/13/64/71/1431136471.db2.gz VBIHXGSVGRYUEK-IRXDYDNUSA-N 0 1 396.553 3.146 20 0 GGADMN Cc1cccnc1[C@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)C(C)C ZINC000185400299 1431136510 /nfs/dbraw/zinc/13/65/10/1431136510.db2.gz WQNYQFLZDNITJV-LJQANCHMSA-N 0 1 394.479 3.284 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185416327 1431140733 /nfs/dbraw/zinc/14/07/33/1431140733.db2.gz MWVMMBFSPLCNDG-RBBKRZOGSA-N 0 1 383.467 3.295 20 0 GGADMN Cc1cc(C)cc(OC[C@@H](O)CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185427873 1431143365 /nfs/dbraw/zinc/14/33/65/1431143365.db2.gz HUHROPIRDKPHLE-UNMCSNQZSA-N 0 1 383.467 3.295 20 0 GGADMN O=C(NCCc1cc2ccccc2o1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185432848 1431144711 /nfs/dbraw/zinc/14/47/11/1431144711.db2.gz NOMQZJVUGKEXAJ-UHFFFAOYSA-N 0 1 391.431 3.172 20 0 GGADMN Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000185442627 1431146228 /nfs/dbraw/zinc/14/62/28/1431146228.db2.gz NCCDFFTYBQLJAW-INIZCTEOSA-N 0 1 396.413 3.137 20 0 GGADMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000185444529 1431146758 /nfs/dbraw/zinc/14/67/58/1431146758.db2.gz JIFQFLNRDKHFPS-CQSZACIVSA-N 0 1 381.388 3.371 20 0 GGADMN Cc1cc2ncn(C[C@H](O)CN3CCN([C@H](C)c4ccsc4)CC3)c2cc1C ZINC000185446818 1431147177 /nfs/dbraw/zinc/14/71/77/1431147177.db2.gz ZRYWHYLCGYHSJV-UYAOXDASSA-N 0 1 398.576 3.454 20 0 GGADMN Cc1cc2ncn(C[C@H](O)CN3CCN([C@@H](C)c4ccsc4)CC3)c2cc1C ZINC000185446780 1431147351 /nfs/dbraw/zinc/14/73/51/1431147351.db2.gz ZRYWHYLCGYHSJV-AZUAARDMSA-N 0 1 398.576 3.454 20 0 GGADMN CC[C@@H]1CN(Cc2cc(-c3cnn(C)c3C)no2)CCN1Cc1ccccc1 ZINC000185450149 1431148421 /nfs/dbraw/zinc/14/84/21/1431148421.db2.gz DHUDMKZHIRTGPS-LJQANCHMSA-N 0 1 379.508 3.480 20 0 GGADMN COc1cccc(COC[C@H](O)CN2CCN([C@@H](C)c3ccsc3)CC2)c1 ZINC000185449822 1431148526 /nfs/dbraw/zinc/14/85/26/1431148526.db2.gz CVHFMRFTQRCJQX-FXAWDEMLSA-N 0 1 390.549 3.013 20 0 GGADMN C[C@H](c1ccsc1)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000185463596 1431150808 /nfs/dbraw/zinc/15/08/08/1431150808.db2.gz PHSUURHSKMPGHG-APWZRJJASA-N 0 1 378.513 3.144 20 0 GGADMN O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185464472 1431150901 /nfs/dbraw/zinc/15/09/01/1431150901.db2.gz KXLQSVMQPCPYJJ-MRXNPFEDSA-N 0 1 382.395 3.421 20 0 GGADMN Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185471362 1431152583 /nfs/dbraw/zinc/15/25/83/1431152583.db2.gz VAOURJGXGYUEKR-QGZVFWFLSA-N 0 1 393.491 3.431 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2cccc(NC(C)=O)c2)CCN1Cc1ccccc1 ZINC000185475423 1431153312 /nfs/dbraw/zinc/15/33/12/1431153312.db2.gz WRWWUVZXESQVFD-JOCHJYFZSA-N 0 1 394.519 3.451 20 0 GGADMN COCCC(C)(C)CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000185476127 1431153894 /nfs/dbraw/zinc/15/38/94/1431153894.db2.gz NKYIRQRGDQIMBM-QZTJIDSGSA-N 0 1 391.556 3.158 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](O)c2cccc(OC(C)C)c2)cc1 ZINC000185479178 1431154290 /nfs/dbraw/zinc/15/42/90/1431154290.db2.gz OJPRCPKIFQYLOM-LAUBAEHRSA-N 0 1 391.533 3.268 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H](O)c2cccc(OC(C)C)c2)cc1 ZINC000185479127 1431154341 /nfs/dbraw/zinc/15/43/41/1431154341.db2.gz OJPRCPKIFQYLOM-UTKZUKDTSA-N 0 1 391.533 3.268 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000185481210 1431154553 /nfs/dbraw/zinc/15/45/53/1431154553.db2.gz KHFWWMOYIVZXRH-YLJYHZDGSA-N 0 1 390.549 3.013 20 0 GGADMN Cc1cc(N2CCN([C@@H](C)c3ccsc3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000185480829 1431154692 /nfs/dbraw/zinc/15/46/92/1431154692.db2.gz QBLJVOFRQVTFRW-LBPRGKRZSA-N 0 1 396.442 3.396 20 0 GGADMN Cc1ccc(Cc2nnc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)s2)cc1 ZINC000185487152 1431155715 /nfs/dbraw/zinc/15/57/15/1431155715.db2.gz MDGXQZLCWOHWFJ-UHFFFAOYSA-N 0 1 376.445 3.475 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(-c2cncnc2)cc1F)c1cccc(F)c1 ZINC000185492393 1431156876 /nfs/dbraw/zinc/15/68/76/1431156876.db2.gz DZJJNHMKZPOMKI-HXUWFJFHSA-N 0 1 382.414 3.455 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@@H](Cc3ccc(Cl)cc3)C(N)=O)n2)cc1 ZINC000185493078 1431157149 /nfs/dbraw/zinc/15/71/49/1431157149.db2.gz FYHPBGQOCDHTPX-HNNXBMFYSA-N 0 1 388.880 3.322 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H](C1CCCC1)C(F)(F)F ZINC000185505151 1431159967 /nfs/dbraw/zinc/15/99/67/1431159967.db2.gz GIUJVDJMQGOEQN-MRXNPFEDSA-N 0 1 397.401 3.304 20 0 GGADMN CCS[C@@H]1CCC[C@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185507368 1431160644 /nfs/dbraw/zinc/16/06/44/1431160644.db2.gz NMHAUWGXTFWHLR-GOEBONIOSA-N 0 1 389.525 3.247 20 0 GGADMN CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185522660 1431163858 /nfs/dbraw/zinc/16/38/58/1431163858.db2.gz KSXPKRMHKGCLOF-GFCCVEGCSA-N 0 1 377.282 3.408 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000185533985 1431166060 /nfs/dbraw/zinc/16/60/60/1431166060.db2.gz DNXQVBFNSOFKQI-QAPCUYQASA-N 0 1 396.553 3.050 20 0 GGADMN CCOc1cc(C)ccc1CNC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185536573 1431166658 /nfs/dbraw/zinc/16/66/58/1431166658.db2.gz KSCKEUMFCQCUEY-UHFFFAOYSA-N 0 1 395.463 3.090 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)nc2)c1 ZINC000185559744 1431170712 /nfs/dbraw/zinc/17/07/12/1431170712.db2.gz CJRODJUZADDUGV-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000185566389 1431171797 /nfs/dbraw/zinc/17/17/97/1431171797.db2.gz YCMCCRUFJLWGMR-QGZVFWFLSA-N 0 1 395.850 3.003 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000185583507 1431176418 /nfs/dbraw/zinc/17/64/18/1431176418.db2.gz NYKXXZSKXNGPCD-GOSISDBHSA-N 0 1 393.528 3.005 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(OC(F)F)c(F)c3)cc12 ZINC000185585592 1431176934 /nfs/dbraw/zinc/17/69/34/1431176934.db2.gz KKBDPUYNCQYNOI-UHFFFAOYSA-N 0 1 387.339 3.327 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000185591483 1431178516 /nfs/dbraw/zinc/17/85/16/1431178516.db2.gz YXNPCJJVWQTFRW-AWEZNQCLSA-N 0 1 385.411 3.125 20 0 GGADMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000185591681 1431178767 /nfs/dbraw/zinc/17/87/67/1431178767.db2.gz DQUKIBBCYVDEFH-QGZVFWFLSA-N 0 1 393.409 3.371 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000185591761 1431178868 /nfs/dbraw/zinc/17/88/68/1431178868.db2.gz DPYQKHHRSVWFEQ-INIZCTEOSA-N 0 1 397.372 3.202 20 0 GGADMN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000185594750 1431179781 /nfs/dbraw/zinc/17/97/81/1431179781.db2.gz XAJJTHDUCXRTFD-RBBKRZOGSA-N 0 1 385.552 3.452 20 0 GGADMN C[C@H](c1nccs1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000185609449 1431183175 /nfs/dbraw/zinc/18/31/75/1431183175.db2.gz PDMBBJMDJXYOLB-GFCCVEGCSA-N 0 1 382.327 3.490 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC2(CO)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185613131 1431184165 /nfs/dbraw/zinc/18/41/65/1431184165.db2.gz GBZWEGZWZZNBJE-YJBOKZPZSA-N 0 1 397.922 3.324 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3cn(-c4ccccc4)nc3C)cc12 ZINC000185635337 1431190404 /nfs/dbraw/zinc/19/04/04/1431190404.db2.gz XQTKOQRCLLGLNN-UHFFFAOYSA-N 0 1 383.433 3.080 20 0 GGADMN CC[C@@H]1CN(C(=O)NCCc2nc(C(C)C)no2)CCN1Cc1ccccc1 ZINC000185635387 1431190882 /nfs/dbraw/zinc/19/08/82/1431190882.db2.gz HWDJNIGZBOOELK-GOSISDBHSA-N 0 1 385.512 3.042 20 0 GGADMN Cn1cnc(-c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000185638257 1431191400 /nfs/dbraw/zinc/19/14/00/1431191400.db2.gz JGWLMQXEBOPLPK-UHFFFAOYSA-N 0 1 382.367 3.302 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)C(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000185642434 1431192865 /nfs/dbraw/zinc/19/28/65/1431192865.db2.gz FOKANHNUTNIPSM-WMLDXEAASA-N 0 1 397.441 3.202 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)C(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000185642376 1431193068 /nfs/dbraw/zinc/19/30/68/1431193068.db2.gz FOKANHNUTNIPSM-PBHICJAKSA-N 0 1 397.441 3.202 20 0 GGADMN Cc1nn(C)c(=O)c(-c2nc(CN[C@@H](C)[C@@H]3COc4ccccc43)cs2)c1C ZINC000185646176 1431194452 /nfs/dbraw/zinc/19/44/52/1431194452.db2.gz JLCYUQQBMLMGCY-YOEHRIQHSA-N 0 1 396.516 3.175 20 0 GGADMN COc1cccc(CNC(=O)CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000185649381 1431195221 /nfs/dbraw/zinc/19/52/21/1431195221.db2.gz MWLNDRJESNVESF-LBPRGKRZSA-N 0 1 398.429 3.038 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000185651023 1431195583 /nfs/dbraw/zinc/19/55/83/1431195583.db2.gz DIERXTQZXYTEIS-HUUCEWRRSA-N 0 1 388.439 3.364 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000185650983 1431195894 /nfs/dbraw/zinc/19/58/94/1431195894.db2.gz DIERXTQZXYTEIS-LSDHHAIUSA-N 0 1 388.439 3.364 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)NCc1cccs1 ZINC000185653879 1431196569 /nfs/dbraw/zinc/19/65/69/1431196569.db2.gz FENNRJRNTKCYRP-ZYHUDNBSSA-N 0 1 388.459 3.479 20 0 GGADMN CCCN(CCc1cccs1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000185653329 1431196753 /nfs/dbraw/zinc/19/67/53/1431196753.db2.gz KAQMQQOEMNWOMI-UHFFFAOYSA-N 0 1 387.530 3.379 20 0 GGADMN COc1ccc([C@H]2CCN(CN3C[C@H](c4cccc(OC)c4)CC3=O)C2)cc1 ZINC000185658549 1431198205 /nfs/dbraw/zinc/19/82/05/1431198205.db2.gz UAAKPFFIHPCTBB-VQTJNVASSA-N 0 1 380.488 3.467 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)c1 ZINC000185659985 1431198718 /nfs/dbraw/zinc/19/87/18/1431198718.db2.gz IPZXCWOJDVPUGP-HSZRJFAPSA-N 0 1 385.894 3.222 20 0 GGADMN O=S(=O)(Cc1noc2ccccc21)N[C@H](CN1CCCC1)c1ccccc1 ZINC000185661660 1431199401 /nfs/dbraw/zinc/19/94/01/1431199401.db2.gz VQSVLGIFFUDRFO-GOSISDBHSA-N 0 1 385.489 3.084 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000185663586 1431199808 /nfs/dbraw/zinc/19/98/08/1431199808.db2.gz SNYOBBMUQFFDDN-CQSZACIVSA-N 0 1 390.867 3.490 20 0 GGADMN CCOc1cc(NC2CCN(Cc3cnc(N(CC)CC)s3)CC2)ncn1 ZINC000185664447 1431199829 /nfs/dbraw/zinc/19/98/29/1431199829.db2.gz UWBCKFRIFWLVCM-UHFFFAOYSA-N 0 1 390.557 3.255 20 0 GGADMN CCOc1cc(NC2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)ncn1 ZINC000185664839 1431200038 /nfs/dbraw/zinc/20/00/38/1431200038.db2.gz QMOXAQNYFYATFA-UHFFFAOYSA-N 0 1 392.507 3.197 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)N2c3ccccc3CC[C@@H]2C)cc1 ZINC000185666445 1431200604 /nfs/dbraw/zinc/20/06/04/1431200604.db2.gz UIGOKPWAPQZAEF-DLBZAZTESA-N 0 1 396.487 3.257 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000185687646 1431206015 /nfs/dbraw/zinc/20/60/15/1431206015.db2.gz KHYAFQIRUSECPR-QGZVFWFLSA-N 0 1 386.517 3.250 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000185702305 1431210439 /nfs/dbraw/zinc/21/04/39/1431210439.db2.gz JBARFKMXRCTTNT-AWEZNQCLSA-N 0 1 390.867 3.490 20 0 GGADMN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185718233 1431214405 /nfs/dbraw/zinc/21/44/05/1431214405.db2.gz AXUSVVRKYWQKIN-UHFFFAOYSA-N 0 1 380.795 3.105 20 0 GGADMN CC1(C)[C@H](NCc2cn(Cc3cccnc3)nn2)C[C@@H]1OCc1ccccc1 ZINC000185736039 1431219211 /nfs/dbraw/zinc/21/92/11/1431219211.db2.gz PRBQIRJPPYIGMS-RTWAWAEBSA-N 0 1 377.492 3.195 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(-c3cncnc3)cc2F)n1 ZINC000185737271 1431219534 /nfs/dbraw/zinc/21/95/34/1431219534.db2.gz VTWMYLBWGWTJGO-UHFFFAOYSA-N 0 1 390.378 3.329 20 0 GGADMN C[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)C1(N2CCOCC2)CCCC1 ZINC000185739724 1431220088 /nfs/dbraw/zinc/22/00/88/1431220088.db2.gz OVAAGTQUMSWSPP-INIZCTEOSA-N 0 1 377.529 3.054 20 0 GGADMN Cc1ccc([C@H](CNS(=O)(=O)Cc2noc3ccccc23)N2CCCC2)cc1 ZINC000185740602 1431220686 /nfs/dbraw/zinc/22/06/86/1431220686.db2.gz MRDPYFAXKLSYIR-FQEVSTJZSA-N 0 1 399.516 3.393 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN([C@@H](C)c4nccs4)CC3)n[nH]2)c1 ZINC000185742453 1431221140 /nfs/dbraw/zinc/22/11/40/1431221140.db2.gz NKZIGIIUMSJPCQ-AWEZNQCLSA-N 0 1 397.504 3.061 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185744077 1431221524 /nfs/dbraw/zinc/22/15/24/1431221524.db2.gz WSPVPNRJBAXBDK-PILAGYSTSA-N 0 1 383.895 3.075 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NCC3(Cc4ccccc4)CCCCC3)CCO2)n[nH]1 ZINC000185747704 1431222867 /nfs/dbraw/zinc/22/28/67/1431222867.db2.gz YGKLYWQGFFZRMF-LJQANCHMSA-N 0 1 397.523 3.389 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000185751584 1431224373 /nfs/dbraw/zinc/22/43/73/1431224373.db2.gz RFRWYTGFUIDQQR-ZDUSSCGKSA-N 0 1 385.468 3.191 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1)C(C)C ZINC000185753222 1431225004 /nfs/dbraw/zinc/22/50/04/1431225004.db2.gz DCCSWFSMVMPWMN-UHFFFAOYSA-N 0 1 377.448 3.481 20 0 GGADMN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185753109 1431225033 /nfs/dbraw/zinc/22/50/33/1431225033.db2.gz BBZXEFRJHSKOBF-HNNXBMFYSA-N 0 1 399.401 3.082 20 0 GGADMN CC(C)(C)OC(=O)C1CCC([NH2+]Cc2nnc(COc3ccccc3)[n-]2)CC1 ZINC000185757321 1431226746 /nfs/dbraw/zinc/22/67/46/1431226746.db2.gz IHFXKKQKGSZPAG-UHFFFAOYSA-N 0 1 386.496 3.374 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000185759102 1431226829 /nfs/dbraw/zinc/22/68/29/1431226829.db2.gz NEJMZSMQJWCBHM-UHFFFAOYSA-N 0 1 378.276 3.429 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000185784327 1431235278 /nfs/dbraw/zinc/23/52/78/1431235278.db2.gz QHCRSBOTQHQKLG-DLBZAZTESA-N 0 1 382.888 3.218 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000185787353 1431236072 /nfs/dbraw/zinc/23/60/72/1431236072.db2.gz VJRQICGEZYRHQX-INIZCTEOSA-N 0 1 394.878 3.353 20 0 GGADMN COc1ccc(/C=C/C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1O ZINC000185792370 1431237255 /nfs/dbraw/zinc/23/72/55/1431237255.db2.gz RAKUCMGXWCGQOQ-VQHVLOKHSA-N 0 1 382.460 3.009 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1)C1CC1 ZINC000185791181 1431237448 /nfs/dbraw/zinc/23/74/48/1431237448.db2.gz HCYNLCHJAPVFIY-UHFFFAOYSA-N 0 1 375.432 3.235 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)Cc1noc2ccccc21 ZINC000185794556 1431238065 /nfs/dbraw/zinc/23/80/65/1431238065.db2.gz JRCMJTPJJWCUIY-UHFFFAOYSA-N 0 1 399.516 3.254 20 0 GGADMN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(-c3nnc[nH]3)cc2)o1 ZINC000185799343 1431238744 /nfs/dbraw/zinc/23/87/44/1431238744.db2.gz UZAPLJVSMCCZSY-SFHVURJKSA-N 0 1 386.415 3.103 20 0 GGADMN COc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1OC(C)C ZINC000185828794 1431245661 /nfs/dbraw/zinc/24/56/61/1431245661.db2.gz YOKADDOYVDYMIR-UHFFFAOYSA-N 0 1 398.507 3.028 20 0 GGADMN O=S(=O)(Cc1noc2ccccc21)N(CCN1CCCC1)c1ccccc1 ZINC000185835517 1431247510 /nfs/dbraw/zinc/24/75/10/1431247510.db2.gz UQWWVOVUOSHTAX-UHFFFAOYSA-N 0 1 385.489 3.260 20 0 GGADMN COc1ccc2c(c1)nc(CNCc1cc(Br)ccc1O)n2C ZINC000185845010 1431250196 /nfs/dbraw/zinc/25/01/96/1431250196.db2.gz SOGGHFRFNLSOOY-UHFFFAOYSA-N 0 1 376.254 3.340 20 0 GGADMN Cc1ccccc1C(NCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1C ZINC000185857123 1431253729 /nfs/dbraw/zinc/25/37/29/1431253729.db2.gz KFSFSRBGMLZAPS-UHFFFAOYSA-N 0 1 393.409 3.371 20 0 GGADMN CC(C)(C)c1cccc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)c1O ZINC000185860399 1431254802 /nfs/dbraw/zinc/25/48/02/1431254802.db2.gz GHENJZZBGJPWKU-UHFFFAOYSA-N 0 1 380.441 3.453 20 0 GGADMN CC1(C)Cc2cccc(CNCc3ccc(N4CCCS4(=O)=O)cc3)c2O1 ZINC000185861312 1431254946 /nfs/dbraw/zinc/25/49/46/1431254946.db2.gz USOSXDCMAAAQDN-UHFFFAOYSA-N 0 1 386.517 3.230 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000185861964 1431255183 /nfs/dbraw/zinc/25/51/83/1431255183.db2.gz WARMVVFEEWKGIC-UHFFFAOYSA-N 0 1 396.516 3.010 20 0 GGADMN CCOc1ccc(NC(=O)CCN2CCN(c3nccc(C(C)C)n3)CC2)cc1 ZINC000185867455 1431256785 /nfs/dbraw/zinc/25/67/85/1431256785.db2.gz UMOSCSMXPBGMTP-UHFFFAOYSA-N 0 1 397.523 3.150 20 0 GGADMN O=C(CCCc1cccc(C(F)(F)F)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000185868395 1431257413 /nfs/dbraw/zinc/25/74/13/1431257413.db2.gz VYZDXRMONBCKGT-KRWDZBQOSA-N 0 1 384.442 3.209 20 0 GGADMN CCC[C@H]1CCCCN1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000185876583 1431259811 /nfs/dbraw/zinc/25/98/11/1431259811.db2.gz WLSKDYMMZBTKAR-HNNXBMFYSA-N 0 1 386.475 3.272 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185879235 1431260662 /nfs/dbraw/zinc/26/06/62/1431260662.db2.gz SEGLSQHXOLATRP-IAGOWNOFSA-N 0 1 399.495 3.285 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185879179 1431260683 /nfs/dbraw/zinc/26/06/83/1431260683.db2.gz SEGLSQHXOLATRP-IRXDYDNUSA-N 0 1 399.495 3.285 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCc2ccc(Cl)cc2C1 ZINC000185881138 1431261612 /nfs/dbraw/zinc/26/16/12/1431261612.db2.gz YCUFDOHZVNQUJW-UHFFFAOYSA-N 0 1 397.866 3.305 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185883606 1431262501 /nfs/dbraw/zinc/26/25/01/1431262501.db2.gz QZVLUBAUZUDMQD-FUHWJXTLSA-N 0 1 391.475 3.471 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC1(c2ccccc2F)CC1 ZINC000185883632 1431262741 /nfs/dbraw/zinc/26/27/41/1431262741.db2.gz BGGBGWWZDSAWOJ-UHFFFAOYSA-N 0 1 381.411 3.011 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185883589 1431262765 /nfs/dbraw/zinc/26/27/65/1431262765.db2.gz QZVLUBAUZUDMQD-SJLPKXTDSA-N 0 1 391.475 3.471 20 0 GGADMN C[C@@H](c1ccccc1F)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185887273 1431263556 /nfs/dbraw/zinc/26/35/56/1431263556.db2.gz NRZYYZCOUDADAS-AWEZNQCLSA-N 0 1 383.427 3.425 20 0 GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000185886842 1431263645 /nfs/dbraw/zinc/26/36/45/1431263645.db2.gz GSVHCZPWDUAYEX-IBGZPJMESA-N 0 1 385.895 3.265 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000185886864 1431263696 /nfs/dbraw/zinc/26/36/96/1431263696.db2.gz GSVHCZPWDUAYEX-LJQANCHMSA-N 0 1 385.895 3.265 20 0 GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1cccc(OCC(F)(F)F)c1 ZINC000185892460 1431265845 /nfs/dbraw/zinc/26/58/45/1431265845.db2.gz RKOZKTDOUZXCIH-INIZCTEOSA-N 0 1 386.801 3.467 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000185894667 1431267177 /nfs/dbraw/zinc/26/71/77/1431267177.db2.gz BZZLGDQQKIVYEB-KUHUBIRLSA-N 0 1 387.911 3.055 20 0 GGADMN C[C@H]1Cc2ccccc2CN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185894400 1431267252 /nfs/dbraw/zinc/26/72/52/1431267252.db2.gz UDJKGCYXGVWOJE-HNNXBMFYSA-N 0 1 377.448 3.040 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)NCc2n[nH]c(COc3ccccc3)n2)n1 ZINC000185895245 1431267581 /nfs/dbraw/zinc/26/75/81/1431267581.db2.gz OCWQKPDDMUGJLZ-SFHVURJKSA-N 0 1 392.463 3.134 20 0 GGADMN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185895871 1431267964 /nfs/dbraw/zinc/26/79/64/1431267964.db2.gz VBCRORWQQSJQMG-YJBOKZPZSA-N 0 1 392.463 3.071 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@H](c2ccccc2)C1 ZINC000185897437 1431268380 /nfs/dbraw/zinc/26/83/80/1431268380.db2.gz LKZWFRYLCZCFJW-KRWDZBQOSA-N 0 1 377.448 3.083 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC(c2ccccc2)CC1 ZINC000185896699 1431268717 /nfs/dbraw/zinc/26/87/17/1431268717.db2.gz AHIVEGAOCYFVFX-UHFFFAOYSA-N 0 1 391.475 3.473 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000185898289 1431269528 /nfs/dbraw/zinc/26/95/28/1431269528.db2.gz XQRBOLWSNOKHBE-SFHVURJKSA-N 0 1 391.475 3.158 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCOC2(C1)CCCCCC2 ZINC000185899118 1431269869 /nfs/dbraw/zinc/26/98/69/1431269869.db2.gz QMSULYYOZXMTOA-UHFFFAOYSA-N 0 1 399.495 3.019 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@H]1c1ccccc1 ZINC000185904095 1431271928 /nfs/dbraw/zinc/27/19/28/1431271928.db2.gz URXJTLJMYXEERK-SFHVURJKSA-N 0 1 377.448 3.430 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@@H]1c1cccs1 ZINC000185903878 1431272304 /nfs/dbraw/zinc/27/23/04/1431272304.db2.gz DDGBAJSTRBLLKH-OAHLLOKOSA-N 0 1 383.477 3.492 20 0 GGADMN FC(F)(F)COCCCN1CCN(c2ccc(OC(F)(F)F)cn2)CC1 ZINC000185905352 1431272800 /nfs/dbraw/zinc/27/28/00/1431272800.db2.gz VOCXGUYHAWXSCX-UHFFFAOYSA-N 0 1 387.324 3.071 20 0 GGADMN C/C=C/C[C@H](CO)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185910850 1431275594 /nfs/dbraw/zinc/27/55/94/1431275594.db2.gz STMFZHZJIACPMB-GDHBCBMMSA-N 0 1 383.895 3.098 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000185940397 1431287848 /nfs/dbraw/zinc/28/78/48/1431287848.db2.gz AUJWTNILXYQIHZ-UHFFFAOYSA-N 0 1 377.404 3.315 20 0 GGADMN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185953380 1431293917 /nfs/dbraw/zinc/29/39/17/1431293917.db2.gz YNRLZLVQQGTFTR-LBPRGKRZSA-N 0 1 393.281 3.244 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nnc[nH]4)cc3)n2)c1 ZINC000185955750 1431294646 /nfs/dbraw/zinc/29/46/46/1431294646.db2.gz PMAORECHSXYACQ-GFCCVEGCSA-N 0 1 390.403 3.021 20 0 GGADMN CCCCOc1cc(OC)ccc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000185955779 1431294942 /nfs/dbraw/zinc/29/49/42/1431294942.db2.gz UHMWVXGTXGSNAB-UHFFFAOYSA-N 0 1 390.524 3.059 20 0 GGADMN C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185955981 1431295326 /nfs/dbraw/zinc/29/53/26/1431295326.db2.gz MCKIUAVNBYUXHB-LLVKDONJSA-N 0 1 378.367 3.152 20 0 GGADMN CC(C)(C)OCc1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)no1 ZINC000185958587 1431296658 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389.517 3.441 20 0 GGADMN COC(=O)CC[C@@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000185999612 1431308309 /nfs/dbraw/zinc/30/83/09/1431308309.db2.gz XFLCTPSHCYVLAR-YLJYHZDGSA-N 0 1 389.517 3.441 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000186010474 1431310655 /nfs/dbraw/zinc/31/06/55/1431310655.db2.gz ZRHWDDWOYKTOBG-OAHLLOKOSA-N 0 1 395.459 3.233 20 0 GGADMN CCc1nc(NC(=O)NNC(=O)c2ccc(Br)s2)sc1C ZINC000186271092 1431367354 /nfs/dbraw/zinc/36/73/54/1431367354.db2.gz QKCLCCXNJWXNNZ-UHFFFAOYSA-N 0 1 389.300 3.304 20 0 GGADMN CCN(C(=O)c1ncn(-c2ccccc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186033683 1431315310 /nfs/dbraw/zinc/31/53/10/1431315310.db2.gz XDBYSOKEYRFIKN-FQEVSTJZSA-N 0 1 375.476 3.004 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000186034816 1431316012 /nfs/dbraw/zinc/31/60/12/1431316012.db2.gz PLIKOEQNGKECMX-MRXNPFEDSA-N 0 1 380.916 3.313 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000186035762 1431316510 /nfs/dbraw/zinc/31/65/10/1431316510.db2.gz UPXCIHXAVYRNGF-OAHLLOKOSA-N 0 1 390.505 3.095 20 0 GGADMN COc1ccc([C@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)c(OC)c1 ZINC000186037984 1431316867 /nfs/dbraw/zinc/31/68/67/1431316867.db2.gz NVLCQVGQWMOEQH-HNNXBMFYSA-N 0 1 390.505 3.095 20 0 GGADMN COC(=O)N1CCC([C@@H](C)N[C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000186038764 1431317412 /nfs/dbraw/zinc/31/74/12/1431317412.db2.gz JDVHCDJNWVIWNR-ZIAGYGMSSA-N 0 1 388.468 3.263 20 0 GGADMN C[C@]1(Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000186041848 1431317774 /nfs/dbraw/zinc/31/77/74/1431317774.db2.gz NCPHWMAAFRPNIA-JOCHJYFZSA-N 0 1 397.544 3.300 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000186042046 1431318398 /nfs/dbraw/zinc/31/83/98/1431318398.db2.gz IQVFXECEYVOYJW-QGZVFWFLSA-N 0 1 393.512 3.439 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)NC3CCC(O)(c4cccnc4)CC3)c[nH]c12 ZINC000186055807 1431320924 /nfs/dbraw/zinc/32/09/24/1431320924.db2.gz UZKWLZATJSULHG-UHFFFAOYSA-N 0 1 377.444 3.204 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000186089688 1431327890 /nfs/dbraw/zinc/32/78/90/1431327890.db2.gz ONUYTADDKVNYJB-RHSMWYFYSA-N 0 1 399.495 3.237 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1n[nH]c2ccccc21 ZINC000186091198 1431328305 /nfs/dbraw/zinc/32/83/05/1431328305.db2.gz MXTGJQMQRSNENX-CQSZACIVSA-N 0 1 388.349 3.117 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000186094821 1431329288 /nfs/dbraw/zinc/32/92/88/1431329288.db2.gz IMBMKFRUWAAXLW-GOSISDBHSA-N 0 1 393.940 3.161 20 0 GGADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1noc2ccccc21 ZINC000186097123 1431329889 /nfs/dbraw/zinc/32/98/89/1431329889.db2.gz ZHJPQOBBZAFFJD-SFHVURJKSA-N 0 1 399.516 3.254 20 0 GGADMN CC(=O)N[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CCCC1 ZINC000186124460 1431335918 /nfs/dbraw/zinc/33/59/18/1431335918.db2.gz HUSSWOZYJNONQH-MSOLQXFVSA-N 0 1 399.457 3.119 20 0 GGADMN CC(C)[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)N1CCCC1=O ZINC000186130056 1431337475 /nfs/dbraw/zinc/33/74/75/1431337475.db2.gz GMCSVDFZPFJRQV-SJLPKXTDSA-N 0 1 399.457 3.071 20 0 GGADMN Cc1noc(CCCC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000186133851 1431338094 /nfs/dbraw/zinc/33/80/94/1431338094.db2.gz UQEJOPLAQZZZHG-HNNXBMFYSA-N 0 1 384.402 3.139 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Br)ccc1[O-] ZINC000186144047 1431340712 /nfs/dbraw/zinc/34/07/12/1431340712.db2.gz JXVLSSMMDLGAOZ-SKDRFNHKSA-N 0 1 395.219 3.359 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](C)C3(c4ccccc4)CCCC3)CCO2)n[nH]1 ZINC000186151298 1431342212 /nfs/dbraw/zinc/34/22/12/1431342212.db2.gz LNNJHJHKGGKKOW-CRAIPNDOSA-N 0 1 383.496 3.097 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](C)C3(c4ccccc4)CCCC3)CCO2)n[nH]1 ZINC000186151278 1431342340 /nfs/dbraw/zinc/34/23/40/1431342340.db2.gz LNNJHJHKGGKKOW-QAPCUYQASA-N 0 1 383.496 3.097 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)C3(c4ccccc4)CCCC3)CCO2)n[nH]1 ZINC000186151260 1431342456 /nfs/dbraw/zinc/34/24/56/1431342456.db2.gz LNNJHJHKGGKKOW-MAUKXSAKSA-N 0 1 383.496 3.097 20 0 GGADMN COc1ccnc(N2CCN(C(=O)NCc3c(C)oc4ccccc43)CC2)c1 ZINC000186162900 1431344995 /nfs/dbraw/zinc/34/49/95/1431344995.db2.gz XUSSBJOCALSKSL-UHFFFAOYSA-N 0 1 380.448 3.177 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000186196664 1431350603 /nfs/dbraw/zinc/35/06/03/1431350603.db2.gz VAEBRYSSAHNCAB-UGSOOPFHSA-N 0 1 385.888 3.273 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3nnc[nH]3)cc2)n(-c2ccccc2)n1 ZINC000186203954 1431351886 /nfs/dbraw/zinc/35/18/86/1431351886.db2.gz ORQKTAMJKUPMAT-OAHLLOKOSA-N 0 1 386.459 3.327 20 0 GGADMN O=C(C[C@H]1CCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(F)cc1 ZINC000186203469 1431351908 /nfs/dbraw/zinc/35/19/08/1431351908.db2.gz OBWRCDVPRLOFKJ-GOSISDBHSA-N 0 1 378.407 3.488 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(Cn2cncn2)CC1)c1cc2ccccc2o1 ZINC000186215834 1431354477 /nfs/dbraw/zinc/35/44/77/1431354477.db2.gz ZVFOZMKIYUYXFW-CVEARBPZSA-N 0 1 381.480 3.002 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(Cn2cncn2)CC1)c1cc2ccccc2o1 ZINC000186215817 1431354570 /nfs/dbraw/zinc/35/45/70/1431354570.db2.gz ZVFOZMKIYUYXFW-HOTGVXAUSA-N 0 1 381.480 3.002 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000186215263 1431354711 /nfs/dbraw/zinc/35/47/11/1431354711.db2.gz HJGIMJIRAPDBDJ-FQEVSTJZSA-N 0 1 397.544 3.441 20 0 GGADMN COc1ccsc1[C@H](C)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000186219085 1431355475 /nfs/dbraw/zinc/35/54/75/1431355475.db2.gz PDJNJELHCBAFMD-LRDDRELGSA-N 0 1 376.478 3.230 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(Cn2cncn2)CC1)c1ccc2ccccc2c1 ZINC000186219823 1431355541 /nfs/dbraw/zinc/35/55/41/1431355541.db2.gz QFRBSGNPLGIBHA-MSOLQXFVSA-N 0 1 391.519 3.409 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(Cn2cncn2)CC1)c1cccc2ccccc21 ZINC000186221102 1431355724 /nfs/dbraw/zinc/35/57/24/1431355724.db2.gz VQWKOQBHZODIPZ-QGZVFWFLSA-N 0 1 377.492 3.021 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCC[C@]3(C)Cc3ccccc3)cc2[nH]c1=S ZINC000186222629 1431355972 /nfs/dbraw/zinc/35/59/72/1431355972.db2.gz VKWDHODNAICKRR-JOCHJYFZSA-N 0 1 393.512 3.460 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCC[C@@]3(C)Cc3ccccc3)cc2[nH]c1=S ZINC000186222644 1431356058 /nfs/dbraw/zinc/35/60/58/1431356058.db2.gz VKWDHODNAICKRR-QFIPXVFZSA-N 0 1 393.512 3.460 20 0 GGADMN COc1ccnc(N2CCN(C(=O)C3(Cc4cccc(F)c4)CCC3)CC2)c1 ZINC000186224051 1431356692 /nfs/dbraw/zinc/35/66/92/1431356692.db2.gz QWGDGYJHVBWJGI-UHFFFAOYSA-N 0 1 383.467 3.291 20 0 GGADMN Cc1nc([C@H]2CCCN2C(=O)NC2CCN(Cc3ccncc3)CC2)cs1 ZINC000186232628 1431358495 /nfs/dbraw/zinc/35/84/95/1431358495.db2.gz LPYDYFDIRUVBEQ-LJQANCHMSA-N 0 1 385.537 3.358 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000186239634 1431359501 /nfs/dbraw/zinc/35/95/01/1431359501.db2.gz NDDRDVMTJMBLQO-RTWAWAEBSA-N 0 1 395.588 3.114 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000186239763 1431359693 /nfs/dbraw/zinc/35/96/93/1431359693.db2.gz TZGXBNJXYSTWBW-UHFFFAOYSA-N 0 1 397.544 3.223 20 0 GGADMN 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RIYQTGFOJIZNNA-GFCCVEGCSA-N 0 1 391.367 3.081 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1CSC)c1ccco1 ZINC000186276994 1431369440 /nfs/dbraw/zinc/36/94/40/1431369440.db2.gz VCIJCVANOZEFJL-KRWDZBQOSA-N 0 1 389.521 3.280 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)n2)cc1 ZINC000186278188 1431369810 /nfs/dbraw/zinc/36/98/10/1431369810.db2.gz QDCQHWFFHZEKTL-RDTXWAMCSA-N 0 1 392.463 3.168 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)n[nH]2)cc1 ZINC000186278188 1431369814 /nfs/dbraw/zinc/36/98/14/1431369814.db2.gz QDCQHWFFHZEKTL-RDTXWAMCSA-N 0 1 392.463 3.168 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cnc2ccccn12 ZINC000186277164 1431369924 /nfs/dbraw/zinc/36/99/24/1431369924.db2.gz ZARHRZJXDSRSJF-MRXNPFEDSA-N 0 1 384.505 3.067 20 0 GGADMN Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000186280413 1431370651 /nfs/dbraw/zinc/37/06/51/1431370651.db2.gz FYUVODLGBOLMSY-UHFFFAOYSA-N 0 1 390.487 3.390 20 0 GGADMN C[C@H]1CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)c2c(O)cccc21 ZINC000186283640 1431371326 /nfs/dbraw/zinc/37/13/26/1431371326.db2.gz CIONCPZXUAOYHZ-KRWDZBQOSA-N 0 1 379.504 3.294 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Cl)ccc1OCCC1CC1 ZINC000186287702 1431372369 /nfs/dbraw/zinc/37/23/69/1431372369.db2.gz NWMXKQJGNWWKDT-UHFFFAOYSA-N 0 1 398.956 3.424 20 0 GGADMN CCN(C(=O)c1csc(-c2cnccn2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186299536 1431375370 /nfs/dbraw/zinc/37/53/70/1431375370.db2.gz OBOGIOAEVAJGDL-KRWDZBQOSA-N 0 1 393.516 3.337 20 0 GGADMN CCN(C(=O)c1cc(-c2ccncc2)on1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186301946 1431376299 /nfs/dbraw/zinc/37/62/99/1431376299.db2.gz SILTXQRUWUTMRL-LJQANCHMSA-N 0 1 376.460 3.473 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CC(C)(C)CC(=O)c3ccc(C)cc3)C2)CC1 ZINC000186306674 1431377420 /nfs/dbraw/zinc/37/74/20/1431377420.db2.gz BYQLPYIVFCGEJE-OAQYLSRUSA-N 0 1 399.579 3.223 20 0 GGADMN C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000186307243 1431377894 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O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186358185 1431391269 /nfs/dbraw/zinc/39/12/69/1431391269.db2.gz HXHAVDLJLUFNPN-UHFFFAOYSA-N 0 1 392.394 3.023 20 0 GGADMN CCN(C(=O)c1cccc(C[S@](C)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186359224 1431391366 /nfs/dbraw/zinc/39/13/66/1431391366.db2.gz ODHJLEGKPNMNIW-IDISGSTGSA-N 0 1 384.545 3.302 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000186363076 1431392322 /nfs/dbraw/zinc/39/23/22/1431392322.db2.gz YLGDQRTVKCXEQM-VQIMIIECSA-N 0 1 397.544 3.267 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000186363092 1431392336 /nfs/dbraw/zinc/39/23/36/1431392336.db2.gz YLGDQRTVKCXEQM-QFBILLFUSA-N 0 1 397.544 3.267 20 0 GGADMN O=C1[C@@H](N2CCC(n3ccnc3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000186366229 1431393229 /nfs/dbraw/zinc/39/32/29/1431393229.db2.gz HVKMOZRPBQFKKD-KRWDZBQOSA-N 0 1 378.398 3.344 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)C2=Cc3ccccc3OCC2)o1 ZINC000186372259 1431394966 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20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186405522 1431404558 /nfs/dbraw/zinc/40/45/58/1431404558.db2.gz GNXHVMVNEIPWIA-UHFFFAOYSA-N 0 1 375.490 3.415 20 0 GGADMN COC(=O)N1CCC([C@H](C)NCc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000186411848 1431407479 /nfs/dbraw/zinc/40/74/79/1431407479.db2.gz GTOMCJNFZDNYOX-JTQLQIEISA-N 0 1 398.385 3.110 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(N3CCOC3=O)cc2)CCN1Cc1ccccc1 ZINC000186414058 1431409120 /nfs/dbraw/zinc/40/91/20/1431409120.db2.gz NIRBJSOZOLYZLQ-HXUWFJFHSA-N 0 1 393.487 3.380 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000186421265 1431412680 /nfs/dbraw/zinc/41/26/80/1431412680.db2.gz FCSJOOBFLUUDOL-HNNXBMFYSA-N 0 1 378.469 3.328 20 0 GGADMN CCCCN(C)c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000186421101 1431412825 /nfs/dbraw/zinc/41/28/25/1431412825.db2.gz KWOWXOQAHGETHW-UHFFFAOYSA-N 0 1 390.431 3.483 20 0 GGADMN CCOC(=O)N1CCC([C@H](C)NCc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000186424740 1431414007 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HONPNAKFQLEORA-RYUDHWBXSA-N 0 1 391.541 3.408 20 0 GGADMN CC[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc2c(c1)OCCO2 ZINC000186429823 1431416161 /nfs/dbraw/zinc/41/61/61/1431416161.db2.gz UQZGBFPKYWNPOV-KRWDZBQOSA-N 0 1 380.448 3.396 20 0 GGADMN COCCc1nc(C)c([C@H](C)NCc2n[nH]c(COc3ccccc3)n2)s1 ZINC000186432499 1431417372 /nfs/dbraw/zinc/41/73/72/1431417372.db2.gz SEGMXTWFALIKHR-ZDUSSCGKSA-N 0 1 387.509 3.188 20 0 GGADMN C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000186434430 1431418052 /nfs/dbraw/zinc/41/80/52/1431418052.db2.gz FNFBLRBVQFRWEP-INIZCTEOSA-N 0 1 391.475 3.361 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000186433722 1431418374 /nfs/dbraw/zinc/41/83/74/1431418374.db2.gz WYDRVSKQAJUUAJ-UHFFFAOYSA-N 0 1 398.854 3.399 20 0 GGADMN CCOC(=O)N1CCC([C@@H](C)NCc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000186434749 1431418777 /nfs/dbraw/zinc/41/87/77/1431418777.db2.gz UKPAJSOHZDXBOK-GFCCVEGCSA-N 0 1 394.422 3.361 20 0 GGADMN 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C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000186570405 1431456764 /nfs/dbraw/zinc/45/67/64/1431456764.db2.gz MZSHCGMINYKWDG-WMLDXEAASA-N 0 1 395.931 3.040 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCc2nc3cc(C(F)(F)F)ccc3n2C)C1(C)C ZINC000186580805 1431459973 /nfs/dbraw/zinc/45/99/73/1431459973.db2.gz RCOQVJVXQPMZRU-QAPCUYQASA-N 0 1 385.430 3.248 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(N4CCCC4)c(C)c3)cc12 ZINC000186584276 1431460582 /nfs/dbraw/zinc/46/05/82/1431460582.db2.gz AWSNOCYPXLGCNN-UHFFFAOYSA-N 0 1 386.477 3.495 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccccc1OC(F)F)[C@H](c1ccccc1)N(C)C ZINC000186592281 1431462745 /nfs/dbraw/zinc/46/27/45/1431462745.db2.gz MZVPEDDROPOIHC-SUMWQHHRSA-N 0 1 384.448 3.258 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCc2csc(-c3ccc(OC)cc3)n2)C1(C)C ZINC000186595545 1431463676 /nfs/dbraw/zinc/46/36/76/1431463676.db2.gz ZACXQRXDDNSTMI-PXNSSMCTSA-N 0 1 376.522 3.474 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3cc(-c4ccccc4C)nn3C)cc12 ZINC000186597303 1431464072 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399.579 3.495 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CCN1CC(C)(C)O ZINC000186773634 1431512983 /nfs/dbraw/zinc/51/29/83/1431512983.db2.gz LBDVYJZXWMRKJL-NSHDSACASA-N 0 1 391.846 3.250 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000186773351 1431513008 /nfs/dbraw/zinc/51/30/08/1431513008.db2.gz NDFWNIBCUWGDAF-IFMALSPDSA-N 0 1 389.540 3.026 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186799809 1431520108 /nfs/dbraw/zinc/52/01/08/1431520108.db2.gz IZOZICMPRPRMJO-MRXNPFEDSA-N 0 1 375.419 3.192 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCSC3(CCOCC3)C2)cc1 ZINC000186806361 1431522301 /nfs/dbraw/zinc/52/23/01/1431522301.db2.gz YAYZOOQLSQJJJZ-DLBZAZTESA-N 0 1 376.566 3.413 20 0 GGADMN CC(C)c1ccc(CCNC(=O)CN2CCSC3(CCOCC3)C2)cc1 ZINC000186812397 1431524538 /nfs/dbraw/zinc/52/45/38/1431524538.db2.gz GWXVDYSJJXWHDN-UHFFFAOYSA-N 0 1 376.566 3.067 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186817785 1431527195 /nfs/dbraw/zinc/52/71/95/1431527195.db2.gz ZRDINBABLJWGCE-UHFFFAOYSA-N 0 1 395.503 3.455 20 0 GGADMN COc1ccc(-c2noc([C@@H](C)N3CCSC4(CCOCC4)C3)n2)cc1 ZINC000186821195 1431528661 /nfs/dbraw/zinc/52/86/61/1431528661.db2.gz BOEAOHSMLZAKLF-CQSZACIVSA-N 0 1 375.494 3.404 20 0 GGADMN CC(C)C[C@H](NC(=O)CN1CCSC2(CCOCC2)C1)c1ccccc1 ZINC000186826357 1431530160 /nfs/dbraw/zinc/53/01/60/1431530160.db2.gz OMWFPKKUVXUGBN-IBGZPJMESA-N 0 1 376.566 3.488 20 0 GGADMN Cc1nc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)[nH]c1-c1ccccc1 ZINC000186837447 1431533505 /nfs/dbraw/zinc/53/35/05/1431533505.db2.gz YTIKUDGMVNSJSG-UHFFFAOYSA-N 0 1 387.436 3.327 20 0 GGADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)[nH]c1-c1ccccc1 ZINC000186844002 1431536602 /nfs/dbraw/zinc/53/66/02/1431536602.db2.gz OHENBNJEODSKHS-LZWOXQAQSA-N 0 1 389.521 3.052 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2cccs2)[nH]c1-c1ccccc1 ZINC000186844108 1431536688 /nfs/dbraw/zinc/53/66/88/1431536688.db2.gz GJAMQUWJSJLOOG-LBPRGKRZSA-N 0 1 389.502 3.098 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)NC2CCC(C)CC2)[nH]c1-c1ccccc1 ZINC000186847954 1431538641 /nfs/dbraw/zinc/53/86/41/1431538641.db2.gz MSESWCZITZVMAD-GNHJJJEISA-N 0 1 389.521 3.242 20 0 GGADMN COC(=O)c1ccccc1CCS(=O)(=O)c1nc(C)c(-c2ccccc2)[nH]1 ZINC000186849765 1431539357 /nfs/dbraw/zinc/53/93/57/1431539357.db2.gz YBEQMNSAHAFTAQ-UHFFFAOYSA-N 0 1 384.457 3.188 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2nc(C)c(-c3ccccc3)[nH]2)cc1 ZINC000186850976 1431539894 /nfs/dbraw/zinc/53/98/94/1431539894.db2.gz OLNFLDSIIZNIEZ-CQSZACIVSA-N 0 1 399.472 3.195 20 0 GGADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cccc(F)c2)[nH]c1-c1ccccc1 ZINC000186853089 1431540734 /nfs/dbraw/zinc/54/07/34/1431540734.db2.gz PUUGWSGMFBCBJP-ZDUSSCGKSA-N 0 1 387.436 3.325 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000186878404 1431551357 /nfs/dbraw/zinc/55/13/57/1431551357.db2.gz QVTFFIMZMVBMTA-GFCCVEGCSA-N 0 1 376.444 3.216 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(OC2COC2)cc1 ZINC000186888864 1431555499 /nfs/dbraw/zinc/55/54/99/1431555499.db2.gz JZVALOHTNWMLLG-UHFFFAOYSA-N 0 1 396.491 3.168 20 0 GGADMN Cc1cc(NC(=O)c2c[nH]nc2-c2ccsc2)ccc1N1C(=O)CCC1=O ZINC000186889855 1431556132 /nfs/dbraw/zinc/55/61/32/1431556132.db2.gz LFNPNDMHDQBYDH-UHFFFAOYSA-N 0 1 380.429 3.352 20 0 GGADMN Cc1ccc(C)c(OCCCCC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000186894521 1431557840 /nfs/dbraw/zinc/55/78/40/1431557840.db2.gz UDAZAORLEYLYNY-LJQANCHMSA-N 0 1 376.541 3.156 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000186910771 1431562580 /nfs/dbraw/zinc/56/25/80/1431562580.db2.gz SAVFKYVVZAJIPN-CYBMUJFWSA-N 0 1 397.441 3.114 20 0 GGADMN COc1ccc2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)C[C@H]3C)c2c1 ZINC000186912488 1431563199 /nfs/dbraw/zinc/56/31/99/1431563199.db2.gz QQHSGEAZFHSSAU-OAHLLOKOSA-N 0 1 397.519 3.038 20 0 GGADMN COc1ccc2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)c2c1 ZINC000186912505 1431563229 /nfs/dbraw/zinc/56/32/29/1431563229.db2.gz QQHSGEAZFHSSAU-HNNXBMFYSA-N 0 1 397.519 3.038 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000186914916 1431564151 /nfs/dbraw/zinc/56/41/51/1431564151.db2.gz ZMQSQFSHBDEKEE-OAHLLOKOSA-N 0 1 394.606 3.473 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(C2SCCS2)cc1 ZINC000186918846 1431565636 /nfs/dbraw/zinc/56/56/36/1431565636.db2.gz WCVJYENWCQISOE-CQSZACIVSA-N 0 1 380.579 3.082 20 0 GGADMN CN1C(=O)CCc2cc(CN3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)ccc21 ZINC000186922100 1431566431 /nfs/dbraw/zinc/56/64/31/1431566431.db2.gz VBHHFWKQGJZHFH-IBGZPJMESA-N 0 1 396.466 3.131 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000186924735 1431567440 /nfs/dbraw/zinc/56/74/40/1431567440.db2.gz QVGVGHNZEGHDIQ-GOSISDBHSA-N 0 1 387.524 3.427 20 0 GGADMN CN(CC1CCCCC1)C(=O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186925372 1431567456 /nfs/dbraw/zinc/56/74/56/1431567456.db2.gz XIJOWNSNUVNWQO-UHFFFAOYSA-N 0 1 376.516 3.234 20 0 GGADMN O=C(CN1CCC(O)(Cc2cccc(F)c2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000186931205 1431569502 /nfs/dbraw/zinc/56/95/02/1431569502.db2.gz GIMZTLQIHHOOSR-CTNGQTDRSA-N 0 1 388.527 3.376 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000186936608 1431570908 /nfs/dbraw/zinc/57/09/08/1431570908.db2.gz GIAQBXPFNUNOEL-MRXNPFEDSA-N 0 1 378.425 3.052 20 0 GGADMN C[C@@H](C(=O)NCCc1cccs1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941380 1431572314 /nfs/dbraw/zinc/57/23/14/1431572314.db2.gz IFGPIUITJBVMRS-INIZCTEOSA-N 0 1 390.524 3.004 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000186942704 1431572635 /nfs/dbraw/zinc/57/26/35/1431572635.db2.gz BQZASKYXOCUPGY-HNNXBMFYSA-N 0 1 387.911 3.319 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000186946224 1431573571 /nfs/dbraw/zinc/57/35/71/1431573571.db2.gz HOMIFPVSGRVCTF-GOSISDBHSA-N 0 1 382.504 3.036 20 0 GGADMN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1 ZINC000186963723 1431578447 /nfs/dbraw/zinc/57/84/47/1431578447.db2.gz HSSBEJQPNCFELF-UHFFFAOYSA-N 0 1 389.408 3.484 20 0 GGADMN CCOc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)c1[O-] ZINC000186985055 1431583175 /nfs/dbraw/zinc/58/31/75/1431583175.db2.gz FIOGLRQRQIXALE-UHFFFAOYSA-N 0 1 389.883 3.486 20 0 GGADMN COc1ccc(CC(C)(C)NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000186983989 1431583199 /nfs/dbraw/zinc/58/31/99/1431583199.db2.gz LNMNADVTFZHFIC-UHFFFAOYSA-N 0 1 396.535 3.375 20 0 GGADMN CCN(CC)[C@@H](C(=O)NCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000186989786 1431584314 /nfs/dbraw/zinc/58/43/14/1431584314.db2.gz CXLCJDBKGRRRQB-GOSISDBHSA-N 0 1 385.474 3.460 20 0 GGADMN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186995072 1431585343 /nfs/dbraw/zinc/58/53/43/1431585343.db2.gz OSJBVYXDYVERCY-UHFFFAOYSA-N 0 1 385.228 3.452 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4O)CC3)n[nH]2)cc1C ZINC000186999070 1431586217 /nfs/dbraw/zinc/58/62/17/1431586217.db2.gz DNQUQZZNRWXQRB-UHFFFAOYSA-N 0 1 376.460 3.362 20 0 GGADMN C[S@@](=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000187001787 1431586606 /nfs/dbraw/zinc/58/66/06/1431586606.db2.gz IHUAAORQPVRRFY-AREMUKBSSA-N 0 1 399.493 3.456 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)CCc3ncc(C(C)(C)C)o3)c2)CC1 ZINC000187016674 1431590817 /nfs/dbraw/zinc/59/08/17/1431590817.db2.gz GKDCHQVNYCXKMB-UHFFFAOYSA-N 0 1 384.524 3.291 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1CCC[C@@H]1CCO ZINC000187046389 1431599023 /nfs/dbraw/zinc/59/90/23/1431599023.db2.gz WYFPTSVEHPFBBZ-XLIONFOSSA-N 0 1 393.959 3.402 20 0 GGADMN CC(C)(O)CN(C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000187046348 1431599132 /nfs/dbraw/zinc/59/91/32/1431599132.db2.gz IYPHBHGFTBNUOH-UHFFFAOYSA-N 0 1 393.959 3.497 20 0 GGADMN Cc1cc(CNC(=O)N[C@H](C)CN2CCN(C)CC2)ccc1-c1ccccc1 ZINC000187045853 1431599181 /nfs/dbraw/zinc/59/91/81/1431599181.db2.gz AUJCSYHEJXXQHC-LJQANCHMSA-N 0 1 380.536 3.097 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1(CC)CC ZINC000187049700 1431599894 /nfs/dbraw/zinc/59/98/94/1431599894.db2.gz NCXSCQDVQQVGJT-ZWKOTPCHSA-N 0 1 389.496 3.014 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2nnc3n2c2ccccc2c(=O)n3CC)C1(CC)CC ZINC000187052944 1431600318 /nfs/dbraw/zinc/60/03/18/1431600318.db2.gz RGHVOORPYUOENY-QZTJIDSGSA-N 0 1 397.523 3.138 20 0 GGADMN Cc1oc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2c1C ZINC000187057671 1431601642 /nfs/dbraw/zinc/60/16/42/1431601642.db2.gz DVSVVEOHRSCYKW-UHFFFAOYSA-N 0 1 387.461 3.415 20 0 GGADMN CC(C)OCCCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187068400 1431604752 /nfs/dbraw/zinc/60/47/52/1431604752.db2.gz ROAORBXPMOYXDQ-INIZCTEOSA-N 0 1 375.435 3.422 20 0 GGADMN CC(C)OCCCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187068417 1431604810 /nfs/dbraw/zinc/60/48/10/1431604810.db2.gz ROAORBXPMOYXDQ-MRXNPFEDSA-N 0 1 375.435 3.422 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000187078386 1431607776 /nfs/dbraw/zinc/60/77/76/1431607776.db2.gz PQTBLYLXQDPXSA-MRXNPFEDSA-N 0 1 389.496 3.214 20 0 GGADMN COc1cc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1F ZINC000187081106 1431608588 /nfs/dbraw/zinc/60/85/88/1431608588.db2.gz DWTQJALJOJHUIW-UHFFFAOYSA-N 0 1 379.476 3.191 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc(C(C)(C)C)c3O)cc21 ZINC000187083348 1431609224 /nfs/dbraw/zinc/60/92/24/1431609224.db2.gz JFQLLKSLODGVIP-UHFFFAOYSA-N 0 1 388.489 3.400 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187089322 1431611239 /nfs/dbraw/zinc/61/12/39/1431611239.db2.gz SAKWEIKEPIBKKO-FDDCHVKYSA-N 0 1 392.547 3.276 20 0 GGADMN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1nnc2ccccc2c1O ZINC000187099841 1431615699 /nfs/dbraw/zinc/61/56/99/1431615699.db2.gz JYUZZTCLYSNYSW-YVEFUNNKSA-N 0 1 383.835 3.179 20 0 GGADMN COc1cc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)ccn1 ZINC000187106563 1431617694 /nfs/dbraw/zinc/61/76/94/1431617694.db2.gz GVPBMIXDOAQURB-INIZCTEOSA-N 0 1 396.413 3.211 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000187115490 1431620348 /nfs/dbraw/zinc/62/03/48/1431620348.db2.gz MCOICBFLAHRTIM-HNNXBMFYSA-N 0 1 398.488 3.069 20 0 GGADMN O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC(CN2CCOCC2)CC1 ZINC000187119703 1431621361 /nfs/dbraw/zinc/62/13/61/1431621361.db2.gz MMWDRAMQCDPKDX-VXKWHMMOSA-N 0 1 385.552 3.152 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)n[nH]2)c(C)c1 ZINC000187120086 1431621425 /nfs/dbraw/zinc/62/14/25/1431621425.db2.gz HIQSEIOEOXVRQX-HRAATJIYSA-N 0 1 392.503 3.309 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)n[nH]2)c(C)c1 ZINC000187120048 1431621742 /nfs/dbraw/zinc/62/17/42/1431621742.db2.gz HIQSEIOEOXVRQX-IIBYNOLFSA-N 0 1 392.503 3.309 20 0 GGADMN Cc1nc(SCC(=O)N2CCN(Cc3ccco3)CC2)[nH]c1-c1ccccc1 ZINC000187127906 1431624665 /nfs/dbraw/zinc/62/46/65/1431624665.db2.gz BNHSYYVAFLJTHR-UHFFFAOYSA-N 0 1 396.516 3.415 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc12 ZINC000187141947 1431628994 /nfs/dbraw/zinc/62/89/94/1431628994.db2.gz TUDLYXFMCZMMSY-SFHVURJKSA-N 0 1 383.423 3.238 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000187143198 1431629378 /nfs/dbraw/zinc/62/93/78/1431629378.db2.gz XMDNCZOZBOWMBC-UHFFFAOYSA-N 0 1 386.395 3.374 20 0 GGADMN Cc1nc(S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)[nH]c1-c1ccccc1 ZINC000187149453 1431631205 /nfs/dbraw/zinc/63/12/05/1431631205.db2.gz OHUIASHZOXLEFF-JTQLQIEISA-N 0 1 386.399 3.254 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccc(-c2nnc[nH]2)c1 ZINC000187154403 1431632881 /nfs/dbraw/zinc/63/28/81/1431632881.db2.gz RZEYCKSDFZEICU-UHFFFAOYSA-N 0 1 387.443 3.413 20 0 GGADMN CN1C(=O)CCc2cc(CNCc3cccc(NC(=O)[C@@H]4CCCO4)c3)ccc21 ZINC000187161981 1431635034 /nfs/dbraw/zinc/63/50/34/1431635034.db2.gz IMIXFRIVWDPXFD-NRFANRHFSA-N 0 1 393.487 3.003 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000187167230 1431636122 /nfs/dbraw/zinc/63/61/22/1431636122.db2.gz CYKVZWIBFJIGCK-HSZRJFAPSA-N 0 1 396.535 3.166 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)[C@@H](O)C2CCCCC2)cc1 ZINC000187200504 1431645709 /nfs/dbraw/zinc/64/57/09/1431645709.db2.gz HIYVMJMSCDCKHL-NRFANRHFSA-N 0 1 387.524 3.381 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2nnc(SCc3ccccc3)s2)C1(C)C ZINC000187205067 1431647878 /nfs/dbraw/zinc/64/78/78/1431647878.db2.gz KOQDORPXYXBLFC-FZKQIMNGSA-N 0 1 392.550 3.301 20 0 GGADMN O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000187225400 1431655883 /nfs/dbraw/zinc/65/58/83/1431655883.db2.gz CQUKQPBFWCBGSP-SJLPKXTDSA-N 0 1 399.457 3.086 20 0 GGADMN COC(=O)c1ccccc1CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187234349 1431659707 /nfs/dbraw/zinc/65/97/07/1431659707.db2.gz QFBSIYRKHRUOGQ-SFHVURJKSA-N 0 1 385.439 3.051 20 0 GGADMN C[C@@H](CCNC(=O)NCCN1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000187245904 1431664069 /nfs/dbraw/zinc/66/40/69/1431664069.db2.gz VLSQETHAJHKWDF-HNNXBMFYSA-N 0 1 387.446 3.221 20 0 GGADMN O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)C1=CCOCC1 ZINC000187265649 1431672943 /nfs/dbraw/zinc/67/29/43/1431672943.db2.gz CAEWUGUVQGMBNQ-UHFFFAOYSA-N 0 1 391.515 3.290 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1(C)C ZINC000187293387 1431684327 /nfs/dbraw/zinc/68/43/27/1431684327.db2.gz AVIROFZVQZHMQI-OXQOHEQNSA-N 0 1 387.505 3.216 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)C1(C)C ZINC000187293350 1431684622 /nfs/dbraw/zinc/68/46/22/1431684622.db2.gz AVIROFZVQZHMQI-UZLBHIALSA-N 0 1 387.505 3.216 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)n[nH]2)cc1C ZINC000187304553 1431689490 /nfs/dbraw/zinc/68/94/90/1431689490.db2.gz SHCISTPEHQRGPZ-OALUTQOASA-N 0 1 389.521 3.121 20 0 GGADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(Cl)nc1 ZINC000187311965 1431691737 /nfs/dbraw/zinc/69/17/37/1431691737.db2.gz DZVQXKWKBAHUHG-AWEZNQCLSA-N 0 1 379.913 3.468 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(Cl)nc1 ZINC000187311986 1431691849 /nfs/dbraw/zinc/69/18/49/1431691849.db2.gz DZVQXKWKBAHUHG-CQSZACIVSA-N 0 1 379.913 3.468 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCCC(C)(C)CO)c1cccc(C(F)(F)F)c1 ZINC000187322164 1431696516 /nfs/dbraw/zinc/69/65/16/1431696516.db2.gz VXRQQLYAYAZDQK-INIZCTEOSA-N 0 1 389.462 3.406 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000187328131 1431698384 /nfs/dbraw/zinc/69/83/84/1431698384.db2.gz TZLUEMTXPXGZGT-HOTGVXAUSA-N 0 1 397.523 3.189 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CN[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000187330976 1431698818 /nfs/dbraw/zinc/69/88/18/1431698818.db2.gz HRUPYYBJAHSIIT-QGZVFWFLSA-N 0 1 393.409 3.400 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CC1(O)CCCCCC1 ZINC000187332908 1431699647 /nfs/dbraw/zinc/69/96/47/1431699647.db2.gz OABPCJUGPSTVNJ-KRWDZBQOSA-N 0 1 387.524 3.158 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187339274 1431702479 /nfs/dbraw/zinc/70/24/79/1431702479.db2.gz SVRHWIASUUAZGM-KRWDZBQOSA-N 0 1 397.445 3.158 20 0 GGADMN CCCN(CCC)C(=O)c1ccc(NC(=O)[C@]2(N)C[C@H](OCC)C2(C)C)cc1 ZINC000187342654 1431702761 /nfs/dbraw/zinc/70/27/61/1431702761.db2.gz GORJVURDXDOPGF-PGRDOPGGSA-N 0 1 389.540 3.420 20 0 GGADMN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000187348470 1431704756 /nfs/dbraw/zinc/70/47/56/1431704756.db2.gz WUHWYCRZYMGMNE-UHFFFAOYSA-N 0 1 383.370 3.367 20 0 GGADMN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2c[nH]nc21 ZINC000187349152 1431705410 /nfs/dbraw/zinc/70/54/10/1431705410.db2.gz KBZRQNOHRXOJON-UHFFFAOYSA-N 0 1 391.349 3.397 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)c1cccs1 ZINC000187352699 1431705989 /nfs/dbraw/zinc/70/59/89/1431705989.db2.gz LYONQKKYFJJALC-LLVKDONJSA-N 0 1 376.482 3.255 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)CC1(O)CCCCCC1 ZINC000187352493 1431706109 /nfs/dbraw/zinc/70/61/09/1431706109.db2.gz AFXLIYMJTLJKPS-UHFFFAOYSA-N 0 1 384.524 3.445 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)C1(C)C ZINC000187363017 1431708625 /nfs/dbraw/zinc/70/86/25/1431708625.db2.gz ITDDWBMSJTUXLX-RHSMWYFYSA-N 0 1 390.402 3.107 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ncc(Cc3ccccc3F)s2)C1(C)C ZINC000187366747 1431710200 /nfs/dbraw/zinc/71/02/00/1431710200.db2.gz LHXLVHIHICNVNY-HNAYVOBHSA-N 0 1 377.485 3.344 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CCOCC1 ZINC000187368411 1431710584 /nfs/dbraw/zinc/71/05/84/1431710584.db2.gz VHZNQWDSXXTIIW-CXAGYDPISA-N 0 1 387.446 3.422 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CCOCC1 ZINC000187368350 1431710694 /nfs/dbraw/zinc/71/06/94/1431710694.db2.gz VHZNQWDSXXTIIW-GUYCJALGSA-N 0 1 387.446 3.422 20 0 GGADMN Cc1ccccc1C(NC(=O)NCCN1CCCOCC1)c1ccccc1C ZINC000187370180 1431711469 /nfs/dbraw/zinc/71/14/69/1431711469.db2.gz RLABYFBMXLQHJH-UHFFFAOYSA-N 0 1 381.520 3.414 20 0 GGADMN CCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)[C@@H](C)Cc1ccsc1 ZINC000187369931 1431711736 /nfs/dbraw/zinc/71/17/36/1431711736.db2.gz DYXDPUHQLKSDDZ-LBPRGKRZSA-N 0 1 387.530 3.377 20 0 GGADMN COc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)ccc1F ZINC000187374392 1431713028 /nfs/dbraw/zinc/71/30/28/1431713028.db2.gz KBNDCZMVCZKJFK-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187379610 1431713753 /nfs/dbraw/zinc/71/37/53/1431713753.db2.gz FKSYOYPNHKQSEE-QFIPXVFZSA-N 0 1 379.504 3.362 20 0 GGADMN CC(C)(CNC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1F ZINC000187418718 1431723966 /nfs/dbraw/zinc/72/39/66/1431723966.db2.gz AZQBDWYUVPTQOK-HNNXBMFYSA-N 0 1 397.922 3.120 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)COC)c1ccccc1 ZINC000187447435 1431732711 /nfs/dbraw/zinc/73/27/11/1431732711.db2.gz ZNUGKCBPZWCKKK-QFIPXVFZSA-N 0 1 395.503 3.244 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187448828 1431733401 /nfs/dbraw/zinc/73/34/01/1431733401.db2.gz YFESOOYSZZPINL-XKQJLSEDSA-N 0 1 387.446 3.253 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000187450848 1431734013 /nfs/dbraw/zinc/73/40/13/1431734013.db2.gz SKONWQAKEKNJCW-HOTGVXAUSA-N 0 1 399.413 3.324 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)c1cccc(C(F)(F)F)c1 ZINC000187451363 1431734066 /nfs/dbraw/zinc/73/40/66/1431734066.db2.gz FEESVGAFASFNNX-XOKHGSTOSA-N 0 1 387.446 3.158 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000187450889 1431734179 /nfs/dbraw/zinc/73/41/79/1431734179.db2.gz SKONWQAKEKNJCW-CVEARBPZSA-N 0 1 399.413 3.324 20 0 GGADMN C[C@@H](c1cnn(C)c1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187451203 1431734202 /nfs/dbraw/zinc/73/42/02/1431734202.db2.gz ZWAFGFSMPIWOPA-GUYCJALGSA-N 0 1 397.445 3.444 20 0 GGADMN COC[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000187451959 1431734730 /nfs/dbraw/zinc/73/47/30/1431734730.db2.gz LPWYQALOHJRUED-RHSMWYFYSA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)c1cccc(C(F)(F)F)c1 ZINC000187451382 1431734760 /nfs/dbraw/zinc/73/47/60/1431734760.db2.gz FEESVGAFASFNNX-XKQJLSEDSA-N 0 1 387.446 3.158 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)C1(C)C ZINC000187453095 1431735124 /nfs/dbraw/zinc/73/51/24/1431735124.db2.gz BEIPOAGKZZTYHI-IERDGZPVSA-N 0 1 375.513 3.076 20 0 GGADMN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1c[nH]nc1-c1ccsc1 ZINC000187452780 1431735200 /nfs/dbraw/zinc/73/52/00/1431735200.db2.gz ACKXUJAQZBIJCO-UHFFFAOYSA-N 0 1 377.433 3.379 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCOC2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187453988 1431735405 /nfs/dbraw/zinc/73/54/05/1431735405.db2.gz WDELVTUYLKDMNB-INIZCTEOSA-N 0 1 385.430 3.273 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCCC[C@H]1CCO)c1cccc(C(F)(F)F)c1 ZINC000187453947 1431735414 /nfs/dbraw/zinc/73/54/14/1431735414.db2.gz TYYLFQLQZYEZQP-IRXDYDNUSA-N 0 1 387.446 3.255 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCCC[C@H]1CCO)c1cccc(C(F)(F)F)c1 ZINC000187453965 1431735474 /nfs/dbraw/zinc/73/54/74/1431735474.db2.gz TYYLFQLQZYEZQP-DLBZAZTESA-N 0 1 387.446 3.255 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000187457161 1431736373 /nfs/dbraw/zinc/73/63/73/1431736373.db2.gz DTLDTHRHMBOLCR-QAPCUYQASA-N 0 1 399.413 3.108 20 0 GGADMN CCC[C@](C)(CO)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187457333 1431736392 /nfs/dbraw/zinc/73/63/92/1431736392.db2.gz KRSKYPNHPUKAJH-DOTOQJQBSA-N 0 1 375.435 3.158 20 0 GGADMN CCOC[C@H]1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000187460798 1431737920 /nfs/dbraw/zinc/73/79/20/1431737920.db2.gz RMIKNKWXKLNHOW-YOEHRIQHSA-N 0 1 387.446 3.376 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187463214 1431738674 /nfs/dbraw/zinc/73/86/74/1431738674.db2.gz BVLGNMLMXKCFPQ-GOSISDBHSA-N 0 1 396.535 3.016 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187463214 1431738678 /nfs/dbraw/zinc/73/86/78/1431738678.db2.gz BVLGNMLMXKCFPQ-GOSISDBHSA-N 0 1 396.535 3.016 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)C1(C)C ZINC000187462664 1431738814 /nfs/dbraw/zinc/73/88/14/1431738814.db2.gz DUGBBSBQBZEVPK-OXQOHEQNSA-N 0 1 395.931 3.197 20 0 GGADMN CN(C)C(=O)CC1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000187466382 1431739582 /nfs/dbraw/zinc/73/95/82/1431739582.db2.gz OHWZVMHLCDMZQT-UHFFFAOYSA-N 0 1 385.483 3.490 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187465351 1431739759 /nfs/dbraw/zinc/73/97/59/1431739759.db2.gz CEXRIHRCBQTLDF-IAGOWNOFSA-N 0 1 396.409 3.155 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187469669 1431741282 /nfs/dbraw/zinc/74/12/82/1431741282.db2.gz GDKQRABCNPUVPF-AEFFLSMTSA-N 0 1 385.430 3.130 20 0 GGADMN CCN(CC(C)(C)O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187472766 1431741811 /nfs/dbraw/zinc/74/18/11/1431741811.db2.gz DXSUYDSQQARIPQ-HNNXBMFYSA-N 0 1 375.435 3.111 20 0 GGADMN O=C(NNC(=O)N1CCC([C@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000187487116 1431746578 /nfs/dbraw/zinc/74/65/78/1431746578.db2.gz DONBGIYYMJJRHH-CQSZACIVSA-N 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COc1ccccc1[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)N1CCCCC1 ZINC000188332866 1431874159 /nfs/dbraw/zinc/87/41/59/1431874159.db2.gz NMDSXUVWFHXFEN-NRFANRHFSA-N 0 1 396.535 3.183 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC1CCC2(CCCCC2)CC1 ZINC000188336636 1431874473 /nfs/dbraw/zinc/87/44/73/1431874473.db2.gz IXBMXDZLMSASOI-UHFFFAOYSA-N 0 1 395.507 3.087 20 0 GGADMN CC1CCN(C(=O)c2ccccc2NC(=O)Cc2n[nH]c3c2CCCC3)CC1 ZINC000188338542 1431874780 /nfs/dbraw/zinc/87/47/80/1431874780.db2.gz ABKCUGVEFUJEQM-UHFFFAOYSA-N 0 1 380.492 3.342 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000188342326 1431875198 /nfs/dbraw/zinc/87/51/98/1431875198.db2.gz SLLZJUBTADILDU-UHFFFAOYSA-N 0 1 380.423 3.474 20 0 GGADMN Cc1ccc2cc(CN3CCC[C@@H](S(=O)(=O)NC4CCCC4)C3)ccc2n1 ZINC000188351985 1431876130 /nfs/dbraw/zinc/87/61/30/1431876130.db2.gz UDSNGELDQNULNI-HXUWFJFHSA-N 0 1 387.549 3.370 20 0 GGADMN CCOC(C)(C)CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000188356989 1431876396 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GGADMN Cc1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)ccc1-c1ccccc1 ZINC000188385268 1431879570 /nfs/dbraw/zinc/87/95/70/1431879570.db2.gz YQLUOBOJGZJUPB-UHFFFAOYSA-N 0 1 386.459 3.081 20 0 GGADMN CN(Cc1ccco1)Cc1ccccc1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188394675 1431880568 /nfs/dbraw/zinc/88/05/68/1431880568.db2.gz KBESYXYCFHUSBE-UHFFFAOYSA-N 0 1 392.503 3.372 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000188407251 1431881692 /nfs/dbraw/zinc/88/16/92/1431881692.db2.gz HRZUTKNYZCMIKN-UHFFFAOYSA-N 0 1 382.482 3.185 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Cc3ccncc3C)CC2)c1C ZINC000188410150 1431881886 /nfs/dbraw/zinc/88/18/86/1431881886.db2.gz WAFOVFSESUFLKJ-UHFFFAOYSA-N 0 1 396.535 3.076 20 0 GGADMN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2nn[nH]c21 ZINC000188411862 1431882205 /nfs/dbraw/zinc/88/22/05/1431882205.db2.gz OQLGIQRXXBTZTR-UHFFFAOYSA-N 0 1 375.226 3.088 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)Cc2n[nH]c3c2CCCC3)n(-c2ccccc2)n1 ZINC000188428091 1431883432 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GGADMN Fc1ccc([C@H](NCc2n[nH]c(COc3ccccc3)n2)c2ncc[nH]2)cc1 ZINC000188484128 1431888183 /nfs/dbraw/zinc/88/81/83/1431888183.db2.gz DMNZDOTXYYLODQ-IBGZPJMESA-N 0 1 378.411 3.125 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000188497935 1431889265 /nfs/dbraw/zinc/88/92/65/1431889265.db2.gz DGXOOSSFPORBOJ-UHFFFAOYSA-N 0 1 389.506 3.444 20 0 GGADMN Cc1cccc(COc2ccc([C@H](C)NC(=O)c3[nH]nc4c3CNCC4)cc2)c1 ZINC000188520263 1431891374 /nfs/dbraw/zinc/89/13/74/1431891374.db2.gz VWMLYZSCJCLLSV-INIZCTEOSA-N 0 1 390.487 3.434 20 0 GGADMN O=C(NCCNC(=O)c1ccccc1F)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188544051 1431893769 /nfs/dbraw/zinc/89/37/69/1431893769.db2.gz SMADCYNGSOXWBQ-UHFFFAOYSA-N 0 1 392.843 3.091 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCCC2(CCCCC2)CC1)N1CCN(C)CC1 ZINC000188562599 1431895543 /nfs/dbraw/zinc/89/55/43/1431895543.db2.gz MMXRZWRGXPEZCM-HXUWFJFHSA-N 0 1 378.605 3.404 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)ccc1F ZINC000188569449 1431896090 /nfs/dbraw/zinc/89/60/90/1431896090.db2.gz XBFUUIBMNMZJQM-UHFFFAOYSA-N 0 1 396.415 3.010 20 0 GGADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188605996 1431899400 /nfs/dbraw/zinc/89/94/00/1431899400.db2.gz TYCYJDROZXWWKV-MRXNPFEDSA-N 0 1 376.888 3.235 20 0 GGADMN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000188607022 1431899722 /nfs/dbraw/zinc/89/97/22/1431899722.db2.gz QRIDQAIFBAFAOB-ZDUSSCGKSA-N 0 1 391.899 3.221 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)n[nH]2)cc1C ZINC000188615981 1431903329 /nfs/dbraw/zinc/90/33/29/1431903329.db2.gz VUMMBSJQGRSLEW-HXUWFJFHSA-N 0 1 392.459 3.208 20 0 GGADMN Cc1ccc2nc(CNC(=O)CCN3C(=S)N=NC3c3cccs3)[nH]c2c1 ZINC000188628860 1431908699 /nfs/dbraw/zinc/90/86/99/1431908699.db2.gz QEYUIPFUFCWTRF-UHFFFAOYSA-N 0 1 398.517 3.187 20 0 GGADMN C[C@]1(Cc2ccccc2)CCN(CN2CCN(CCc3ccccc3)CC2)C1=O ZINC000188628003 1431908993 /nfs/dbraw/zinc/90/89/93/1431908993.db2.gz WMKGXSAGBPGFHQ-RUZDIDTESA-N 0 1 391.559 3.286 20 0 GGADMN N#Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1O ZINC000188629680 1431910022 /nfs/dbraw/zinc/91/00/22/1431910022.db2.gz ZNXSETAAEOAUPV-KRWDZBQOSA-N 0 1 375.428 3.020 20 0 GGADMN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000188632474 1431911370 /nfs/dbraw/zinc/91/13/70/1431911370.db2.gz GWKDHLSEQVOQCQ-CYBMUJFWSA-N 0 1 393.390 3.288 20 0 GGADMN C[C@@H]1CN(C(=O)CCSc2nc3ccccc3s2)CCN1CC(C)(C)O ZINC000188646840 1431916086 /nfs/dbraw/zinc/91/60/86/1431916086.db2.gz MPZIKWZJTBMTQW-CQSZACIVSA-N 0 1 393.578 3.082 20 0 GGADMN CNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c1C ZINC000188645499 1431916406 /nfs/dbraw/zinc/91/64/06/1431916406.db2.gz JQXOTNOPQGCALR-UHFFFAOYSA-N 0 1 398.488 3.162 20 0 GGADMN O=C(NC1CCN(CCOCC(F)(F)C(F)(F)F)CC1)c1ccccc1 ZINC000188647099 1431918010 /nfs/dbraw/zinc/91/80/10/1431918010.db2.gz FXPQUUKOIZNYNU-UHFFFAOYSA-N 0 1 380.357 3.095 20 0 GGADMN CCCOc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1OCCC ZINC000188651607 1431918633 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GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)O1 ZINC000188676934 1431930604 /nfs/dbraw/zinc/93/06/04/1431930604.db2.gz NKXPRVUDOYZHAB-DLBZAZTESA-N 0 1 383.379 3.028 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000188681763 1431931495 /nfs/dbraw/zinc/93/14/95/1431931495.db2.gz OJYHTBSKTAOVRA-UHFFFAOYSA-N 0 1 375.419 3.476 20 0 GGADMN CCOc1cnc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000188685044 1431932518 /nfs/dbraw/zinc/93/25/18/1431932518.db2.gz OSLLUENVWOHQII-LBPRGKRZSA-N 0 1 379.203 3.143 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000188696178 1431936033 /nfs/dbraw/zinc/93/60/33/1431936033.db2.gz OWDRHCQDILLHAX-DLBZAZTESA-N 0 1 398.425 3.401 20 0 GGADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000188715756 1431943968 /nfs/dbraw/zinc/94/39/68/1431943968.db2.gz AYDORPRLVKYPNI-MRXNPFEDSA-N 0 1 381.520 3.338 20 0 GGADMN FC(F)(F)C(F)(F)COCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000188718028 1431944707 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GGADMN C[C@H]1CN(C(=O)CCCc2cccc(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000188761507 1431963173 /nfs/dbraw/zinc/96/31/73/1431963173.db2.gz VTNCYUWLAYJHEL-HNNXBMFYSA-N 0 1 386.458 3.332 20 0 GGADMN COC(=O)[C@@](C)(CNC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccccc1 ZINC000188762170 1431964118 /nfs/dbraw/zinc/96/41/18/1431964118.db2.gz NOJUDWQYQHVVPP-QFIPXVFZSA-N 0 1 379.460 3.051 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]nc1-c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000188772343 1431968362 /nfs/dbraw/zinc/96/83/62/1431968362.db2.gz HRPCKOZEEBULHT-CQSZACIVSA-N 0 1 375.432 3.090 20 0 GGADMN Cc1c([C@H](C)NC(=O)Cc2n[nH]c3c2CCCC3)cnn1-c1ccc(F)cc1 ZINC000188783060 1431973002 /nfs/dbraw/zinc/97/30/02/1431973002.db2.gz VXDRLSAEAOHDOG-ZDUSSCGKSA-N 0 1 381.455 3.342 20 0 GGADMN O=C(Cc1[nH]nc2c1CCCC2)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000188791354 1431976918 /nfs/dbraw/zinc/97/69/18/1431976918.db2.gz ZPNHSGCLPQXCBT-HXUWFJFHSA-N 0 1 386.927 3.438 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000188791354 1431976922 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GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000188852585 1431997954 /nfs/dbraw/zinc/99/79/54/1431997954.db2.gz RPMOOACCCCHBSY-UHFFFAOYSA-N 0 1 380.423 3.474 20 0 GGADMN O=C(CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)NCc1ccccc1 ZINC000188852445 1431998469 /nfs/dbraw/zinc/99/84/69/1431998469.db2.gz KKIAKRCWHZZYLM-UHFFFAOYSA-N 0 1 388.880 3.228 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc2n[nH]nc21)c1cccc(C(F)(F)F)c1 ZINC000188859503 1431999474 /nfs/dbraw/zinc/99/94/74/1431999474.db2.gz YMECSQWZOUMHJV-HNNXBMFYSA-N 0 1 377.370 3.009 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000188860919 1432000100 /nfs/dbraw/zinc/00/01/00/1432000100.db2.gz TXYYHUPXUWZFHJ-AWEZNQCLSA-N 0 1 381.505 3.489 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCCC3=O)n[nH]2)cc1C ZINC000188866880 1432001473 /nfs/dbraw/zinc/00/14/73/1432001473.db2.gz OUUCPUTWHJIRIV-FXAWDEMLSA-N 0 1 381.476 3.294 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000188877832 1432002834 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CCOc1ccccc1N1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188939712 1432013092 /nfs/dbraw/zinc/01/30/92/1432013092.db2.gz XUKJPBFHGADGKV-UHFFFAOYSA-N 0 1 393.531 3.182 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cc(C)nc(C(F)(F)F)n2)N2CCCC2)o1 ZINC000188939701 1432013136 /nfs/dbraw/zinc/01/31/36/1432013136.db2.gz SUYWTVZTSDRQAN-CQSZACIVSA-N 0 1 382.386 3.272 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188960565 1432017129 /nfs/dbraw/zinc/01/71/29/1432017129.db2.gz XAOPFXGPKUHNGX-LBPRGKRZSA-N 0 1 394.928 3.416 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000188963490 1432017210 /nfs/dbraw/zinc/01/72/10/1432017210.db2.gz IISMVJJSGBFBBU-UHFFFAOYSA-N 0 1 377.437 3.286 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2noc(-c3ccc(F)cc3F)n2)C[C@H](C)O1 ZINC000188978908 1432020549 /nfs/dbraw/zinc/02/05/49/1432020549.db2.gz SVXPGGPKXQDACO-LZWOXQAQSA-N 0 1 392.450 3.088 20 0 GGADMN O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC000188992691 1432023477 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399.457 3.227 20 0 GGADMN C[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000189044769 1432034019 /nfs/dbraw/zinc/03/40/19/1432034019.db2.gz KKLWPRINOBIDPB-IERDGZPVSA-N 0 1 395.478 3.404 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cccnc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000189051013 1432034836 /nfs/dbraw/zinc/03/48/36/1432034836.db2.gz OZRMGSVCZLSAHU-HXUWFJFHSA-N 0 1 394.519 3.232 20 0 GGADMN Cn1c2ccccc2nc1C(C#N)C(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000189069666 1432038925 /nfs/dbraw/zinc/03/89/25/1432038925.db2.gz MPFIQIJZTDALIA-OAHLLOKOSA-N 0 1 382.464 3.397 20 0 GGADMN COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189089345 1432042754 /nfs/dbraw/zinc/04/27/54/1432042754.db2.gz AMEMVKVHEAGYHY-MJGOQNOKSA-N 0 1 391.556 3.269 20 0 GGADMN COC(=O)[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccc2ccccc2c1 ZINC000189088041 1432042837 /nfs/dbraw/zinc/04/28/37/1432042837.db2.gz USAGDMFCWZCHBK-NRFANRHFSA-N 0 1 377.444 3.015 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H]3CCN(Cc4ccc(C)cc4)C3=O)c(C)n2n1 ZINC000189102289 1432045417 /nfs/dbraw/zinc/04/54/17/1432045417.db2.gz FLEZMTGLNPQJNO-UZLBHIALSA-N 0 1 377.492 3.106 20 0 GGADMN Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1NS(=O)(=O)c1ccccc1 ZINC000189102337 1432045590 /nfs/dbraw/zinc/04/55/90/1432045590.db2.gz CXOWPAXKHBZOOJ-UHFFFAOYSA-N 0 1 384.461 3.090 20 0 GGADMN Cc1ccn(C)c1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000189104855 1432045912 /nfs/dbraw/zinc/04/59/12/1432045912.db2.gz AFHHSBAPCAVCIX-UHFFFAOYSA-N 0 1 389.503 3.303 20 0 GGADMN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1n[nH]nc1-c1ccccc1 ZINC000189112392 1432047028 /nfs/dbraw/zinc/04/70/28/1432047028.db2.gz NSKZPENTEHLMPM-HNNXBMFYSA-N 0 1 395.850 3.051 20 0 GGADMN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1n[nH]nc1-c1ccccc1 ZINC000189112374 1432047077 /nfs/dbraw/zinc/04/70/77/1432047077.db2.gz NSKZPENTEHLMPM-OAHLLOKOSA-N 0 1 395.850 3.051 20 0 GGADMN O=C(CCc1cnc[nH]1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000189118088 1432047787 /nfs/dbraw/zinc/04/77/87/1432047787.db2.gz QYHWLDRHRLKZIN-IBGZPJMESA-N 0 1 380.517 3.320 20 0 GGADMN COc1cc(CN(C)[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1O ZINC000189121991 1432049066 /nfs/dbraw/zinc/04/90/66/1432049066.db2.gz MNTBSDSYSYZCQQ-GOSISDBHSA-N 0 1 390.430 3.302 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000189133722 1432050493 /nfs/dbraw/zinc/05/04/93/1432050493.db2.gz XYZRXUYJQVBINE-APWZRJJASA-N 0 1 390.524 3.080 20 0 GGADMN Cc1nc(CN2CCN(C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)CC2)oc1C ZINC000189133474 1432050614 /nfs/dbraw/zinc/05/06/14/1432050614.db2.gz UXKKZYKQRIFMTH-UHFFFAOYSA-N 0 1 393.491 3.256 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2n[nH]nc2-c2ccccc2)c1 ZINC000189141377 1432051785 /nfs/dbraw/zinc/05/17/85/1432051785.db2.gz BADKJAWFHMICSO-CQSZACIVSA-N 0 1 377.448 3.386 20 0 GGADMN Fc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000189150254 1432052901 /nfs/dbraw/zinc/05/29/01/1432052901.db2.gz PUWYVORTDGUZRR-UHFFFAOYSA-N 0 1 380.261 3.110 20 0 GGADMN Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)CCCO2 ZINC000189163360 1432055903 /nfs/dbraw/zinc/05/59/03/1432055903.db2.gz WPYDWTATMCMXLK-FQEVSTJZSA-N 0 1 389.517 3.073 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1[nH]nnc1-c1ccccc1 ZINC000189171038 1432057547 /nfs/dbraw/zinc/05/75/47/1432057547.db2.gz DZTXRCKTCLKHBW-UHFFFAOYSA-N 0 1 379.439 3.005 20 0 GGADMN CC(C)(C)c1nnsc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000189171142 1432057562 /nfs/dbraw/zinc/05/75/62/1432057562.db2.gz FTCFECAOFWEDNY-UHFFFAOYSA-N 0 1 376.501 3.369 20 0 GGADMN COc1cccc2cc([C@@H](C)NCc3ccc(S(=O)(=O)CCO)cc3)oc21 ZINC000189173284 1432057921 /nfs/dbraw/zinc/05/79/21/1432057921.db2.gz FHQADWYNQYLGJF-CQSZACIVSA-N 0 1 389.473 3.058 20 0 GGADMN CCOc1c(Cl)cc(CNC(=O)c2n[nH]nc2-c2ccccc2)cc1OC ZINC000189176570 1432058083 /nfs/dbraw/zinc/05/80/83/1432058083.db2.gz GPVNDNWVAKKQHC-UHFFFAOYSA-N 0 1 386.839 3.462 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C(F)(F)F)cc1 ZINC000189175906 1432058088 /nfs/dbraw/zinc/05/80/88/1432058088.db2.gz IKTMFOWWYZZKAT-CYBMUJFWSA-N 0 1 387.423 3.322 20 0 GGADMN COc1ccc(NC(=O)CCc2cnc[nH]2)cc1OCc1cn2ccccc2n1 ZINC000189178667 1432058832 /nfs/dbraw/zinc/05/88/32/1432058832.db2.gz ZUGYCZROCVGGOZ-UHFFFAOYSA-N 0 1 391.431 3.216 20 0 GGADMN Cc1cc(-c2ncccc2NC(=O)N2CCN(C3CCOCC3)CC2)cs1 ZINC000189181929 1432059048 /nfs/dbraw/zinc/05/90/48/1432059048.db2.gz ANMRDMPTLGZTKX-UHFFFAOYSA-N 0 1 386.521 3.447 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000189179889 1432059132 /nfs/dbraw/zinc/05/91/32/1432059132.db2.gz VYOYNOFROWPNLS-MRXNPFEDSA-N 0 1 377.506 3.091 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000189184978 1432059962 /nfs/dbraw/zinc/05/99/62/1432059962.db2.gz IFYWYOFKMNCATO-UZLBHIALSA-N 0 1 385.508 3.031 20 0 GGADMN Cc1cc(-c2ncccc2NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cs1 ZINC000189193163 1432061248 /nfs/dbraw/zinc/06/12/48/1432061248.db2.gz GUBDCYUJGSZOJO-INIZCTEOSA-N 0 1 386.521 3.305 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1Cc1ccccc1 ZINC000189196895 1432061834 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COC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000189732101 1432217835 /nfs/dbraw/zinc/21/78/35/1432217835.db2.gz BIOBDQWDWBKBRT-MSOLQXFVSA-N 0 1 375.538 3.250 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000189739621 1432220277 /nfs/dbraw/zinc/22/02/77/1432220277.db2.gz MDBQXHQNSOESMF-JOCHJYFZSA-N 0 1 386.492 3.306 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)O1 ZINC000189739689 1432220393 /nfs/dbraw/zinc/22/03/93/1432220393.db2.gz MRPJUNGPZVMKLN-DLBZAZTESA-N 0 1 383.379 3.028 20 0 GGADMN CC[C@](C)(O)CN(CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000189739605 1432220684 /nfs/dbraw/zinc/22/06/84/1432220684.db2.gz MDBQXHQNSOESMF-QFIPXVFZSA-N 0 1 386.492 3.306 20 0 GGADMN COc1cc2c(cc1NC(=O)CN(C)CC1(O)CCOCC1)oc1ccccc12 ZINC000189747514 1432223006 /nfs/dbraw/zinc/22/30/06/1432223006.db2.gz CDHAJBDGAQRTNH-UHFFFAOYSA-N 0 1 398.459 3.006 20 0 GGADMN C[C@H](C1CC1)n1cc(NC(=O)NNC(=O)c2ccc(Br)s2)cn1 ZINC000189755287 1432225168 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Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N1CCN2CCC1CC2 ZINC000189792781 1432236584 /nfs/dbraw/zinc/23/65/84/1432236584.db2.gz RZTMTHPNTNIETC-UHFFFAOYSA-N 0 1 375.538 3.131 20 0 GGADMN CC(C)[C@H](CNC(=O)C1(Cc2ccccc2Cl)CC1)N1CCN(C)CC1 ZINC000189793317 1432236645 /nfs/dbraw/zinc/23/66/45/1432236645.db2.gz JEULGPNLQPTITE-IBGZPJMESA-N 0 1 377.960 3.051 20 0 GGADMN CCO[C@@H]1C[C@](O)(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000189812227 1432242169 /nfs/dbraw/zinc/24/21/69/1432242169.db2.gz ZCHZZWPLFOYZLI-ACJLOTCBSA-N 0 1 382.411 3.188 20 0 GGADMN CCO[C@@H]1C[C@@](O)(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000189812272 1432242369 /nfs/dbraw/zinc/24/23/69/1432242369.db2.gz ZCHZZWPLFOYZLI-FZKQIMNGSA-N 0 1 382.411 3.188 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CC[C@H](C)[C@@H]3CO)cc2Cl)CC1 ZINC000189828413 1432246763 /nfs/dbraw/zinc/24/67/63/1432246763.db2.gz VZMXRUUUINIAIX-KXBFYZLASA-N 0 1 394.947 3.107 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C)[C@@H]3CO)cc2Cl)CC1 ZINC000189828433 1432246924 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Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(CC(C)(C)O)C2CC2)c1 ZINC000189892649 1432265119 /nfs/dbraw/zinc/26/51/19/1432265119.db2.gz YLAPZKQYSGBIPB-UHFFFAOYSA-N 0 1 395.503 3.421 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[nH]1 ZINC000189900250 1432267477 /nfs/dbraw/zinc/26/74/77/1432267477.db2.gz YTHGFNNNBNWWQP-KRWDZBQOSA-N 0 1 376.420 3.122 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189907474 1432269790 /nfs/dbraw/zinc/26/97/90/1432269790.db2.gz VVKIWKBOUGBDOJ-KSZLIROESA-N 0 1 375.557 3.304 20 0 GGADMN Cc1cc(C(=O)CN2CCN(CC(C)(C)O)[C@H](C)C2)c(C)n1Cc1ccccc1 ZINC000189910762 1432271128 /nfs/dbraw/zinc/27/11/28/1432271128.db2.gz DESTWHBBAOSEKY-LJQANCHMSA-N 0 1 397.563 3.113 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CCN1CC(C)(C)O ZINC000189919373 1432274202 /nfs/dbraw/zinc/27/42/02/1432274202.db2.gz QXEAKNDUHJMYSA-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN CC(C)(O)CN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000189922263 1432274938 /nfs/dbraw/zinc/27/49/38/1432274938.db2.gz ZDZMFDRROIBSMC-OAQYLSRUSA-N 0 1 384.545 3.458 20 0 GGADMN C[C@H]1CN(CC(=O)N(C2CCCCC2)C2CCCCC2)CCN1CC(C)(C)O ZINC000189942292 1432282845 /nfs/dbraw/zinc/28/28/45/1432282845.db2.gz JCMSMIXCZSCSHX-IBGZPJMESA-N 0 1 393.616 3.257 20 0 GGADMN Cc1ccc(-c2noc([C@@H](C)N3CCN(CC(C)(C)O)[C@H](C)C3)n2)cc1F ZINC000189951176 1432287559 /nfs/dbraw/zinc/28/75/59/1432287559.db2.gz RESMBAZDMDMUCT-HUUCEWRRSA-N 0 1 376.476 3.022 20 0 GGADMN Cc1cc(-c2noc([C@H](C)N3CCN(CC(C)(C)O)[C@H](C)C3)n2)ccc1F ZINC000189954025 1432288236 /nfs/dbraw/zinc/28/82/36/1432288236.db2.gz TXHPWNZQKQHJOT-CABCVRRESA-N 0 1 376.476 3.022 20 0 GGADMN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(Cl)cc1O ZINC000189960769 1432290041 /nfs/dbraw/zinc/29/00/41/1432290041.db2.gz BVWCOXMTPFODDQ-UHFFFAOYSA-N 0 1 375.837 3.080 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000189960400 1432290307 /nfs/dbraw/zinc/29/03/07/1432290307.db2.gz ZPHHHEFCZOIDMJ-WMZOPIPTSA-N 0 1 387.524 3.013 20 0 GGADMN Clc1ccc(OC[C@@H]2CCCO2)c(CN2CCC(Cn3cncn3)CC2)c1 ZINC000189976876 1432295553 /nfs/dbraw/zinc/29/55/53/1432295553.db2.gz XQGNQKXECMFGLO-IBGZPJMESA-N 0 1 390.915 3.402 20 0 GGADMN CCOC(=O)[C@@](C)(CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1 ZINC000189980111 1432296918 /nfs/dbraw/zinc/29/69/18/1432296918.db2.gz VIYOHTZMUZTMJZ-REWPJTCUSA-N 0 1 398.478 3.256 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000189980273 1432297281 /nfs/dbraw/zinc/29/72/81/1432297281.db2.gz BNJIWJHUVNKVRC-RBBKRZOGSA-N 0 1 389.540 3.026 20 0 GGADMN CC(C)n1cc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000189981989 1432297533 /nfs/dbraw/zinc/29/75/33/1432297533.db2.gz GJYDLDRPVRMAMB-INIZCTEOSA-N 0 1 376.526 3.197 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc2nccn21 ZINC000189983913 1432299636 /nfs/dbraw/zinc/29/96/36/1432299636.db2.gz PRMDYANIFKZNPP-MRXNPFEDSA-N 0 1 384.505 3.067 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccccc2-c2ccccc2)C1(C)C ZINC000189987391 1432300199 /nfs/dbraw/zinc/30/01/99/1432300199.db2.gz RLAUVCFCBDIPPT-OFNKIYASSA-N 0 1 382.504 3.448 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCc2csc(-c3cccc(OC)c3)n2)C1(C)C ZINC000189988959 1432300486 /nfs/dbraw/zinc/30/04/86/1432300486.db2.gz XOMLFYGWHDATEW-XLIONFOSSA-N 0 1 376.522 3.474 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c[nH]c(=O)c2ccccc12 ZINC000189991116 1432300957 /nfs/dbraw/zinc/30/09/57/1432300957.db2.gz DVBMIRNKVKHSDL-UHFFFAOYSA-N 0 1 379.435 3.062 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccc(SC(F)F)cc2)C1(C)C ZINC000190002421 1432302337 /nfs/dbraw/zinc/30/23/37/1432302337.db2.gz PFVDIQANWVDEKE-KDOFPFPSSA-N 0 1 388.480 3.096 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc4ccn(C)c43)n2)cc1 ZINC000190006439 1432303260 /nfs/dbraw/zinc/30/32/60/1432303260.db2.gz BZBADUDVFPMMAC-UHFFFAOYSA-N 0 1 376.420 3.294 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cccc4ccn(C)c43)n[nH]2)cc1 ZINC000190006439 1432303263 /nfs/dbraw/zinc/30/32/63/1432303263.db2.gz BZBADUDVFPMMAC-UHFFFAOYSA-N 0 1 376.420 3.294 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N(Cc1c(F)cccc1F)C1CC1 ZINC000190024857 1432307257 /nfs/dbraw/zinc/30/72/57/1432307257.db2.gz XUIWORLWDXERDX-UHFFFAOYSA-N 0 1 398.413 3.152 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cccc(NC(C)=O)c3C)CC2)cc1 ZINC000190044745 1432309816 /nfs/dbraw/zinc/30/98/16/1432309816.db2.gz NCPSLNLVTADZAC-UHFFFAOYSA-N 0 1 395.503 3.310 20 0 GGADMN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1[nH]nc2c1CCCCC2 ZINC000190046190 1432310377 /nfs/dbraw/zinc/31/03/77/1432310377.db2.gz JELLBQDXRQVREQ-UHFFFAOYSA-N 0 1 381.480 3.105 20 0 GGADMN Cn1ccc2cccc(NC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c21 ZINC000190048063 1432310761 /nfs/dbraw/zinc/31/07/61/1432310761.db2.gz NSQFKKFIGVDZMU-TZIWHRDSSA-N 0 1 392.503 3.183 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCN1CC(C)(C)O ZINC000190048200 1432311059 /nfs/dbraw/zinc/31/10/59/1432311059.db2.gz NFCTUPADRZXPDV-LLVKDONJSA-N 0 1 391.846 3.250 20 0 GGADMN Cn1ccc2cccc(NC(=O)NNC(=O)c3ccc(Br)s3)c21 ZINC000190060648 1432312728 /nfs/dbraw/zinc/31/27/28/1432312728.db2.gz QSGIMVXLPYIUBF-UHFFFAOYSA-N 0 1 393.266 3.469 20 0 GGADMN CCOC(=O)c1c(C)oc2nc(CN[C@@H]3CCCC[C@H]3SCC)nc(N)c21 ZINC000190066461 1432313565 /nfs/dbraw/zinc/31/35/65/1432313565.db2.gz CVUAQEKEPSOCPS-CHWSQXEVSA-N 0 1 392.525 3.444 20 0 GGADMN O=C(N[C@@H]1CCC[C@@H]1CCO)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000190069327 1432313925 /nfs/dbraw/zinc/31/39/25/1432313925.db2.gz FBNRPVDYUXCNRS-VQIMIIECSA-N 0 1 379.932 3.155 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)cc2)cs1 ZINC000190081036 1432316131 /nfs/dbraw/zinc/31/61/31/1432316131.db2.gz HHDVDEZYLVKDCW-CQSZACIVSA-N 0 1 388.537 3.427 20 0 GGADMN O=C1C[C@H](N2CCC([C@@H]3CCCO3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000190080863 1432316214 /nfs/dbraw/zinc/31/62/14/1432316214.db2.gz BRGFWUNPYKHXAD-SFTDATJTSA-N 0 1 378.472 3.363 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)cc2)cs1 ZINC000190081087 1432316237 /nfs/dbraw/zinc/31/62/37/1432316237.db2.gz IUDIXABRUFPXPW-AWEZNQCLSA-N 0 1 388.537 3.427 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(OC3CCCC3)c2)CCN1CC(C)(C)O ZINC000190100540 1432319960 /nfs/dbraw/zinc/31/99/60/1432319960.db2.gz WZOBFOCGTWFGDA-MRXNPFEDSA-N 0 1 375.513 3.317 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000190118143 1432322793 /nfs/dbraw/zinc/32/27/93/1432322793.db2.gz OAQMUEAEPQCWTP-MRXNPFEDSA-N 0 1 375.513 3.317 20 0 GGADMN CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)CC2 ZINC000190128381 1432324403 /nfs/dbraw/zinc/32/44/03/1432324403.db2.gz LCYKRYOZQUUYIP-VXKWHMMOSA-N 0 1 386.584 3.369 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccccc1OC1CCCC1 ZINC000190135540 1432326279 /nfs/dbraw/zinc/32/62/79/1432326279.db2.gz DBCAZMOIBRASRL-INIZCTEOSA-N 0 1 375.513 3.317 20 0 GGADMN Cc1cccn2cc(COc3ccc(CN4CC[C@@H](C)C[C@@H]4C(N)=O)cc3)nc12 ZINC000190142989 1432327361 /nfs/dbraw/zinc/32/73/61/1432327361.db2.gz HVMWKZAQWGLPIE-IIBYNOLFSA-N 0 1 392.503 3.308 20 0 GGADMN Cc1cccn2cc(COc3ccc(CN4CC[C@H](C)C[C@@H]4C(N)=O)cc3)nc12 ZINC000190142967 1432327369 /nfs/dbraw/zinc/32/73/69/1432327369.db2.gz HVMWKZAQWGLPIE-HRAATJIYSA-N 0 1 392.503 3.308 20 0 GGADMN CCCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c(C)c1 ZINC000190144669 1432327580 /nfs/dbraw/zinc/32/75/80/1432327580.db2.gz DBSPGYQLDBPXBE-KRWDZBQOSA-N 0 1 377.529 3.483 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2)oc1C ZINC000190147204 1432328095 /nfs/dbraw/zinc/32/80/95/1432328095.db2.gz BDQXTYZQXFLOHW-CQSZACIVSA-N 0 1 386.496 3.267 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)ccc1Oc1cccnc1 ZINC000190149595 1432328335 /nfs/dbraw/zinc/32/83/35/1432328335.db2.gz AFLNGZKWPRLDRA-QGZVFWFLSA-N 0 1 398.507 3.491 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCN1CC(C)(C)O ZINC000190156620 1432329706 /nfs/dbraw/zinc/32/97/06/1432329706.db2.gz QGYPPNWRBPXGPI-CYBMUJFWSA-N 0 1 388.537 3.483 20 0 GGADMN CC[C@]1(C)CN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CCO1 ZINC000190160730 1432330623 /nfs/dbraw/zinc/33/06/23/1432330623.db2.gz FTDYMPCTSCKGGL-WIYYLYMNSA-N 0 1 375.513 3.043 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H]1CCOc2c(F)cccc21)c1cccc(F)c1 ZINC000190161857 1432330816 /nfs/dbraw/zinc/33/08/16/1432330816.db2.gz JVZWITWKHRRUGG-ZWKOTPCHSA-N 0 1 375.419 3.391 20 0 GGADMN O=C(c1ccc(Cl)cc1)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190162367 1432330907 /nfs/dbraw/zinc/33/09/07/1432330907.db2.gz CTZZNFOXUCMRTJ-UHFFFAOYSA-N 0 1 378.900 3.031 20 0 GGADMN Cc1csc(-c2ccc(NC(=O)N3CCN(CC(C)(C)O)C[C@H]3C)cc2)n1 ZINC000190163873 1432331314 /nfs/dbraw/zinc/33/13/14/1432331314.db2.gz OIVYXLAZDPSKDN-OAHLLOKOSA-N 0 1 388.537 3.427 20 0 GGADMN O=c1c2ccc[nH]c-2cn1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000190169047 1432332514 /nfs/dbraw/zinc/33/25/14/1432332514.db2.gz VWLSREHYDMSGLR-UHFFFAOYSA-N 0 1 398.510 3.402 20 0 GGADMN Cc1cnccc1CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000190181639 1432335158 /nfs/dbraw/zinc/33/51/58/1432335158.db2.gz WGWWDEGCMMSNLF-INIZCTEOSA-N 0 1 380.492 3.005 20 0 GGADMN Cc1cnccc1CNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000190181657 1432335222 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CCC1(CC)[C@@H](NCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)C[C@@H]1OC ZINC000191377479 1432645321 /nfs/dbraw/zinc/64/53/21/1432645321.db2.gz AZHWKPHMWVNOPU-HOTGVXAUSA-N 0 1 390.553 3.204 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2csc(Cl)c2)cc1 ZINC000191375868 1432645612 /nfs/dbraw/zinc/64/56/12/1432645612.db2.gz OSALWYOPTQLMFN-ZDUSSCGKSA-N 0 1 375.837 3.064 20 0 GGADMN COCCN(C)c1ccc(CNc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000191392125 1432650216 /nfs/dbraw/zinc/65/02/16/1432650216.db2.gz YRCGTEHPGCVRNK-KDURUIRLSA-N 0 1 398.551 3.386 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSCC[C@H]3C)c2C1 ZINC000191403489 1432654409 /nfs/dbraw/zinc/65/44/09/1432654409.db2.gz WBURDQGDETYPTF-CVEARBPZSA-N 0 1 389.565 3.339 20 0 GGADMN CC(C)(C)n1cc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)nn1 ZINC000191420068 1432658260 /nfs/dbraw/zinc/65/82/60/1432658260.db2.gz PZQYLFBDFVPZMD-UHFFFAOYSA-N 0 1 384.528 3.460 20 0 GGADMN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)C1 ZINC000191421830 1432658829 /nfs/dbraw/zinc/65/88/29/1432658829.db2.gz OVLIODVMCSSFNU-CQSZACIVSA-N 0 1 391.874 3.494 20 0 GGADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)C1 ZINC000191421830 1432658830 /nfs/dbraw/zinc/65/88/30/1432658830.db2.gz OVLIODVMCSSFNU-CQSZACIVSA-N 0 1 391.874 3.494 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000191436308 1432661109 /nfs/dbraw/zinc/66/11/09/1432661109.db2.gz CVUHZDQDUVDGQT-YESZJQIVSA-N 0 1 383.492 3.295 20 0 GGADMN COc1cc(NC(=O)CN(C)Cc2c(O)ccc(Cl)c2F)cc(OC)c1 ZINC000191437863 1432661550 /nfs/dbraw/zinc/66/15/50/1432661550.db2.gz RETVDQXQTIVLFT-UHFFFAOYSA-N 0 1 382.819 3.272 20 0 GGADMN Cc1cc(-n2cccn2)ccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000191459825 1432666093 /nfs/dbraw/zinc/66/60/93/1432666093.db2.gz XQCIUKVUVKTRCK-UHFFFAOYSA-N 0 1 389.503 3.180 20 0 GGADMN CCCn1ccnc1CCCN(C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000191482854 1432669229 /nfs/dbraw/zinc/66/92/29/1432669229.db2.gz WDVADHPCOUEYGY-UHFFFAOYSA-N 0 1 383.452 3.136 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCSc3ccc(OC)cc32)cc1 ZINC000191500937 1432673504 /nfs/dbraw/zinc/67/35/04/1432673504.db2.gz VAXRSIPDYLXKIP-SCLBCKFNSA-N 0 1 392.546 3.491 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cnn1C(C)(C)C ZINC000191502848 1432673949 /nfs/dbraw/zinc/67/39/49/1432673949.db2.gz OIBGCHDZQXSUOM-UTKZUKDTSA-N 0 1 398.551 3.067 20 0 GGADMN CCN(C)c1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000191519174 1432677628 /nfs/dbraw/zinc/67/76/28/1432677628.db2.gz BMLFKBDGANIIGD-QGZVFWFLSA-N 0 1 376.863 3.225 20 0 GGADMN C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000191522050 1432678075 /nfs/dbraw/zinc/67/80/75/1432678075.db2.gz CZKKGNJLHMMPEF-WMZOPIPTSA-N 0 1 389.565 3.259 20 0 GGADMN C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000191522077 1432678154 /nfs/dbraw/zinc/67/81/54/1432678154.db2.gz CZKKGNJLHMMPEF-FUHWJXTLSA-N 0 1 389.565 3.259 20 0 GGADMN COCCN(C)c1ccc(CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cn1 ZINC000191571088 1432685440 /nfs/dbraw/zinc/68/54/40/1432685440.db2.gz MHKBGZCXEYUELN-CYBMUJFWSA-N 0 1 399.461 3.391 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)NNC(=O)NCc1ccc(Cl)cc1 ZINC000191582532 1432687301 /nfs/dbraw/zinc/68/73/01/1432687301.db2.gz XHRCHTYQSJELRH-UHFFFAOYSA-N 0 1 384.823 3.448 20 0 GGADMN O=C(NCc1ccc(Cl)cc1)NNC(=O)c1sccc1OC(F)F ZINC000191605087 1432690959 /nfs/dbraw/zinc/69/09/59/1432690959.db2.gz KSMOOJBKDPADEN-UHFFFAOYSA-N 0 1 375.784 3.147 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(F)cc2C(F)(F)F)C1=O ZINC000191622140 1432694846 /nfs/dbraw/zinc/69/48/46/1432694846.db2.gz QAYKUEMQDWVNMZ-OAHLLOKOSA-N 0 1 384.377 3.346 20 0 GGADMN COc1ccc(CCNC(=O)[C@@H](C)N2CCC(c3ccncc3)CC2)cc1OC ZINC000191634476 1432696945 /nfs/dbraw/zinc/69/69/45/1432696945.db2.gz IWLCZOSFNYJNEB-QGZVFWFLSA-N 0 1 397.519 3.026 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1=O ZINC000191640461 1432698655 /nfs/dbraw/zinc/69/86/55/1432698655.db2.gz WGAMUWUKDLCFLQ-HNNXBMFYSA-N 0 1 384.377 3.346 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2cccc(OC(F)(F)F)c2)C1=O ZINC000191645812 1432699574 /nfs/dbraw/zinc/69/95/74/1432699574.db2.gz FGWGLADNWJTYQL-OAHLLOKOSA-N 0 1 382.386 3.087 20 0 GGADMN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC(c2ccncc2)CC1 ZINC000191651557 1432700363 /nfs/dbraw/zinc/70/03/63/1432700363.db2.gz VUEKXSGXLUMUOX-UHFFFAOYSA-N 0 1 385.483 3.328 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000191662286 1432701657 /nfs/dbraw/zinc/70/16/57/1432701657.db2.gz PJPHPZYZQWKPBJ-HXUWFJFHSA-N 0 1 396.532 3.202 20 0 GGADMN COc1cc(CN[C@H]2CCCc3c(O)cccc32)cc(Cl)c1OCC(N)=O ZINC000191660369 1432702000 /nfs/dbraw/zinc/70/20/00/1432702000.db2.gz APGXAMQGPLGPLN-INIZCTEOSA-N 0 1 390.867 3.086 20 0 GGADMN CC(C)C[C@]1(CO)CCCN1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000191667083 1432702131 /nfs/dbraw/zinc/70/21/31/1432702131.db2.gz AFHGENCOJXKGII-FPOVZHCZSA-N 0 1 387.549 3.222 20 0 GGADMN CC(C)C[C@]1(CO)CCCN1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000191664175 1432702357 /nfs/dbraw/zinc/70/23/57/1432702357.db2.gz DBUHMSVWCSTIQR-KRWDZBQOSA-N 0 1 376.419 3.044 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000191664188 1432702426 /nfs/dbraw/zinc/70/24/26/1432702426.db2.gz DBUHMSVWCSTIQR-QGZVFWFLSA-N 0 1 376.419 3.044 20 0 GGADMN CCOc1c(Cl)cccc1CC(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000191671261 1432702652 /nfs/dbraw/zinc/70/26/52/1432702652.db2.gz FYUUCQIPNVUIBR-UHFFFAOYSA-N 0 1 388.899 3.067 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC(c2ccncc2)CC1 ZINC000191668127 1432702965 /nfs/dbraw/zinc/70/29/65/1432702965.db2.gz TYCIUSPVXYRIDP-QGZVFWFLSA-N 0 1 392.503 3.415 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000191675669 1432703704 /nfs/dbraw/zinc/70/37/04/1432703704.db2.gz UATBIIXSGWWSSD-OAHLLOKOSA-N 0 1 388.439 3.204 20 0 GGADMN CC(C)Oc1ccc(CCNC(=O)CN2CCC(c3ccncc3)CC2)cc1 ZINC000191678960 1432704520 /nfs/dbraw/zinc/70/45/20/1432704520.db2.gz JQEHSVZNKSDKSG-UHFFFAOYSA-N 0 1 381.520 3.407 20 0 GGADMN CCOC(=O)C1CCC(O)(CSc2nc(-c3ccccc3F)n[nH]2)CC1 ZINC000191716526 1432712060 /nfs/dbraw/zinc/71/20/60/1432712060.db2.gz JWPNEDGTXVLTDD-UHFFFAOYSA-N 0 1 379.457 3.187 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000191715453 1432712068 /nfs/dbraw/zinc/71/20/68/1432712068.db2.gz RTSXZTBEIUHRER-UHFFFAOYSA-N 0 1 390.919 3.081 20 0 GGADMN CCOC(=O)C1CCC(O)(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)CC1 ZINC000191727952 1432713454 /nfs/dbraw/zinc/71/34/54/1432713454.db2.gz FHMPLWNBDWAPNO-UHFFFAOYSA-N 0 1 397.447 3.326 20 0 GGADMN COc1cc(CN[C@@H](C)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000191738332 1432714855 /nfs/dbraw/zinc/71/48/55/1432714855.db2.gz CRWCLBPMWICNMV-AWEZNQCLSA-N 0 1 376.884 3.494 20 0 GGADMN CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191739037 1432715569 /nfs/dbraw/zinc/71/55/69/1432715569.db2.gz KNMIZHOLPODSTJ-XZOQPEGZSA-N 0 1 394.515 3.477 20 0 GGADMN O=C(Nc1cc(F)ccc1OCC1CC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000191760121 1432719842 /nfs/dbraw/zinc/71/98/42/1432719842.db2.gz JHUYALFTUOZAFD-QGZVFWFLSA-N 0 1 391.487 3.191 20 0 GGADMN O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1CC[C@@H](N2CC=CC2)C1 ZINC000191791536 1432726460 /nfs/dbraw/zinc/72/64/60/1432726460.db2.gz DTSJSMINTSNEHO-CQSZACIVSA-N 0 1 381.461 3.429 20 0 GGADMN Cc1ccc(CN2CC[C@H](NCc3ccc(OC[C@@H]4CCCO4)cc3)C2=O)cc1 ZINC000191798541 1432727657 /nfs/dbraw/zinc/72/76/57/1432727657.db2.gz VXAYAPJWVVGXMG-GOTSBHOMSA-N 0 1 394.515 3.444 20 0 GGADMN Cc1ccc(CN2CC[C@@H](NCc3ccc(OC[C@H]4CCCO4)cc3)C2=O)cc1 ZINC000191798588 1432727863 /nfs/dbraw/zinc/72/78/63/1432727863.db2.gz VXAYAPJWVVGXMG-DHIUTWEWSA-N 0 1 394.515 3.444 20 0 GGADMN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000191818464 1432732015 /nfs/dbraw/zinc/73/20/15/1432732015.db2.gz XKXFLPRRIMLQMV-UHFFFAOYSA-N 0 1 382.441 3.265 20 0 GGADMN CC(C)(C)OC(=O)NC1CCC(NC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000191817895 1432732244 /nfs/dbraw/zinc/73/22/44/1432732244.db2.gz CIGMTLRDSCLSCY-UHFFFAOYSA-N 0 1 376.501 3.244 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191828301 1432733979 /nfs/dbraw/zinc/73/39/79/1432733979.db2.gz UPIFYSDRKDAISO-HXUWFJFHSA-N 0 1 392.434 3.089 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000191833778 1432735425 /nfs/dbraw/zinc/73/54/25/1432735425.db2.gz OYZGXUMSEAIKEM-RTBURBONSA-N 0 1 381.520 3.192 20 0 GGADMN C[C@@H](Oc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1)c1ccccc1 ZINC000191848508 1432739511 /nfs/dbraw/zinc/73/95/11/1432739511.db2.gz SBZMYWAMWXWHLA-RBUKOAKNSA-N 0 1 381.520 3.192 20 0 GGADMN O=C(CC1CCC2(CC1)OCCO2)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000191855814 1432740658 /nfs/dbraw/zinc/74/06/58/1432740658.db2.gz QXWIHJLJQWUKPS-UHFFFAOYSA-N 0 1 376.844 3.387 20 0 GGADMN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000191885557 1432747150 /nfs/dbraw/zinc/74/71/50/1432747150.db2.gz RPRRTPDZBGKRFA-ZBFHGGJFSA-N 0 1 383.423 3.182 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC(C)(C)CC(C)=O ZINC000191885995 1432747421 /nfs/dbraw/zinc/74/74/21/1432747421.db2.gz ZAZIPLBUKFDXAJ-UHFFFAOYSA-N 0 1 375.513 3.171 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191917576 1432755391 /nfs/dbraw/zinc/75/53/91/1432755391.db2.gz FYWFYLVHLXEMPN-QGZVFWFLSA-N 0 1 388.899 3.456 20 0 GGADMN CCCc1c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cnn1-c1ccc(F)cc1 ZINC000191944763 1432762636 /nfs/dbraw/zinc/76/26/36/1432762636.db2.gz SUKZWYYDEOOTMB-SFHVURJKSA-N 0 1 383.471 3.442 20 0 GGADMN COc1cccc(CN(CCN(C)C)C(=O)c2oc3c(c2C)C(=O)CCC3)c1 ZINC000191949281 1432763758 /nfs/dbraw/zinc/76/37/58/1432763758.db2.gz PHOUFYROMWBCME-UHFFFAOYSA-N 0 1 384.476 3.320 20 0 GGADMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000191948335 1432763978 /nfs/dbraw/zinc/76/39/78/1432763978.db2.gz WQJKTULLZBXRBN-UHFFFAOYSA-N 0 1 384.423 3.393 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)C(=O)c2ccc(Cl)cc2)[nH]1 ZINC000191963342 1432768366 /nfs/dbraw/zinc/76/83/66/1432768366.db2.gz OOAAMUTUNJXXCD-UHFFFAOYSA-N 0 1 377.828 3.404 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cnn(-c3ccccn3)c2C)[nH]1 ZINC000191962484 1432768707 /nfs/dbraw/zinc/76/87/07/1432768707.db2.gz UNRJAKQURXPFFY-UHFFFAOYSA-N 0 1 396.451 3.070 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000191974759 1432772960 /nfs/dbraw/zinc/77/29/60/1432772960.db2.gz CEMKZDVNOYGUJU-UHFFFAOYSA-N 0 1 386.517 3.301 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCSC[C@@H](C)C2)N2CCCC2)cc1 ZINC000191981543 1432774008 /nfs/dbraw/zinc/77/40/08/1432774008.db2.gz FMHNWRJPSGXVBS-LPHOPBHVSA-N 0 1 377.554 3.227 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000191988503 1432775501 /nfs/dbraw/zinc/77/55/01/1432775501.db2.gz AXNSCIKLTRIIKV-QWHCGFSZSA-N 0 1 395.912 3.371 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000191991370 1432775787 /nfs/dbraw/zinc/77/57/87/1432775787.db2.gz DBOQAQSNFZKYDJ-INIZCTEOSA-N 0 1 375.513 3.008 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])ccc2C)c1 ZINC000191989982 1432775820 /nfs/dbraw/zinc/77/58/20/1432775820.db2.gz OPPCTSBEBFDKPQ-LSDHHAIUSA-N 0 1 375.494 3.026 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000191990912 1432775835 /nfs/dbraw/zinc/77/58/35/1432775835.db2.gz HMFMAGYTVHOWTN-ZDUSSCGKSA-N 0 1 380.439 3.363 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000191990918 1432775837 /nfs/dbraw/zinc/77/58/37/1432775837.db2.gz HMFMAGYTVHOWTN-CYBMUJFWSA-N 0 1 380.439 3.363 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000191992293 1432776389 /nfs/dbraw/zinc/77/63/89/1432776389.db2.gz WJKZKKHVXXUWHQ-CQSZACIVSA-N 0 1 390.459 3.116 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000191996581 1432776500 /nfs/dbraw/zinc/77/65/00/1432776500.db2.gz DZQOWOHVNIQMBK-CQSZACIVSA-N 0 1 390.459 3.116 20 0 GGADMN C[N@H+](CC(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000192002361 1432777452 /nfs/dbraw/zinc/77/74/52/1432777452.db2.gz BKQQDCQXISJDAK-SFHVURJKSA-N 0 1 383.492 3.039 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000192002361 1432777455 /nfs/dbraw/zinc/77/74/55/1432777455.db2.gz BKQQDCQXISJDAK-SFHVURJKSA-N 0 1 383.492 3.039 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000192002656 1432777471 /nfs/dbraw/zinc/77/74/71/1432777471.db2.gz ISBNLFCMMZVYCT-OAQYLSRUSA-N 0 1 395.503 3.310 20 0 GGADMN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000192002353 1432777526 /nfs/dbraw/zinc/77/75/26/1432777526.db2.gz BKQQDCQXISJDAK-GOSISDBHSA-N 0 1 383.492 3.039 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000192002353 1432777531 /nfs/dbraw/zinc/77/75/31/1432777531.db2.gz BKQQDCQXISJDAK-GOSISDBHSA-N 0 1 383.492 3.039 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000192002664 1432777538 /nfs/dbraw/zinc/77/75/38/1432777538.db2.gz ISBNLFCMMZVYCT-NRFANRHFSA-N 0 1 395.503 3.310 20 0 GGADMN Cc1cc(-c2noc([C@@H](C)N3CCC[C@H]([N@@H+](C)CC(=O)[O-])CC3)n2)ccc1F ZINC000192001836 1432777695 /nfs/dbraw/zinc/77/76/95/1432777695.db2.gz LLPALEDGPMSDEQ-ZBFHGGJFSA-N 0 1 390.459 3.116 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000192004980 1432778098 /nfs/dbraw/zinc/77/80/98/1432778098.db2.gz IOVKAVJJBRMARH-OAHLLOKOSA-N 0 1 377.485 3.320 20 0 GGADMN CC(C)c1ccc(-c2noc(CN3CCC[C@H]([N@@H+](C)CC(=O)[O-])CC3)n2)cc1 ZINC000192009460 1432778462 /nfs/dbraw/zinc/77/84/62/1432778462.db2.gz YWUFVQYIEZNXNL-SFHVURJKSA-N 0 1 386.496 3.231 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000192007479 1432778598 /nfs/dbraw/zinc/77/85/98/1432778598.db2.gz JIDGFYFITWEBGX-QGZVFWFLSA-N 0 1 377.872 3.366 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000192011046 1432778939 /nfs/dbraw/zinc/77/89/39/1432778939.db2.gz OVROOBUPKIVPDB-IBGZPJMESA-N 0 1 395.503 3.163 20 0 GGADMN COC(=O)c1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192022464 1432780945 /nfs/dbraw/zinc/78/09/45/1432780945.db2.gz BVBPYFASUWKQPI-MJGOQNOKSA-N 0 1 388.851 3.185 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192027814 1432781888 /nfs/dbraw/zinc/78/18/88/1432781888.db2.gz HUEBRCIRBUYLTA-FPOVZHCZSA-N 0 1 388.895 3.427 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000192031966 1432782646 /nfs/dbraw/zinc/78/26/46/1432782646.db2.gz JYSRVZGCNNATEA-WMLDXEAASA-N 0 1 394.928 3.448 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192036726 1432783443 /nfs/dbraw/zinc/78/34/43/1432783443.db2.gz SDRYZFZPGUXJSC-FPOVZHCZSA-N 0 1 388.895 3.222 20 0 GGADMN COc1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000192045481 1432785889 /nfs/dbraw/zinc/78/58/89/1432785889.db2.gz QJKKBSOACKPTSN-JXFKEZNVSA-N 0 1 390.867 3.416 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192045709 1432786021 /nfs/dbraw/zinc/78/60/21/1432786021.db2.gz DYOLRXSWULSLJB-ICSRJNTNSA-N 0 1 387.867 3.357 20 0 GGADMN CCc1c(NC(=O)Cc2ccc(OCCOC)cc2)[nH]nc1-c1ccncc1 ZINC000192046689 1432786346 /nfs/dbraw/zinc/78/63/46/1432786346.db2.gz BPTOZGBWEZJJAD-UHFFFAOYSA-N 0 1 380.448 3.241 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192048794 1432786824 /nfs/dbraw/zinc/78/68/24/1432786824.db2.gz BQHKZZDHPYNMLN-CTNGQTDRSA-N 0 1 388.895 3.475 20 0 GGADMN COCCOc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000192053194 1432788113 /nfs/dbraw/zinc/78/81/13/1432788113.db2.gz CBNHCEDADITTKB-FQEVSTJZSA-N 0 1 386.492 3.191 20 0 GGADMN CS(=O)(=O)N(CCN1CCC(OCC2CCCC2)CC1)Cc1ccccc1 ZINC000192064505 1432791048 /nfs/dbraw/zinc/79/10/48/1432791048.db2.gz FUTCKKWPGCLPPK-UHFFFAOYSA-N 0 1 394.581 3.119 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NCc1cc(F)cc(F)c1 ZINC000192073224 1432793147 /nfs/dbraw/zinc/79/31/47/1432793147.db2.gz LZHBKKQLWZPIOL-HKUYNNGSSA-N 0 1 398.812 3.493 20 0 GGADMN COc1cccc(CNC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192076044 1432793937 /nfs/dbraw/zinc/79/39/37/1432793937.db2.gz HBYJRPLEAJNEEY-AZUAARDMSA-N 0 1 392.858 3.224 20 0 GGADMN Cn1cc(-c2cc(CN[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)on2)cn1 ZINC000192081027 1432794809 /nfs/dbraw/zinc/79/48/09/1432794809.db2.gz YFFZEAZJZSMJBY-FUHWJXTLSA-N 0 1 376.819 3.487 20 0 GGADMN COc1ccccc1NC(=O)C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192085811 1432795397 /nfs/dbraw/zinc/79/53/97/1432795397.db2.gz AGJYXGCDNAEKOC-FQEVSTJZSA-N 0 1 393.487 3.299 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NC(=O)NC1CCCCC1 ZINC000192086903 1432795887 /nfs/dbraw/zinc/79/58/87/1432795887.db2.gz IKMULDKDRNXNQE-AEFFLSMTSA-N 0 1 397.878 3.057 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NC(=O)NC1CCCCC1 ZINC000192086897 1432795910 /nfs/dbraw/zinc/79/59/10/1432795910.db2.gz IKMULDKDRNXNQE-SJLPKXTDSA-N 0 1 397.878 3.057 20 0 GGADMN O=C(Nc1cccc(Cl)c1)N1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192094044 1432797276 /nfs/dbraw/zinc/79/72/76/1432797276.db2.gz HZUBKGCETLHBHR-KRWDZBQOSA-N 0 1 391.899 3.365 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCc2ccccc2C1 ZINC000192102045 1432798547 /nfs/dbraw/zinc/79/85/47/1432798547.db2.gz AJTXSFNSGMDAQT-TZIWHRDSSA-N 0 1 388.870 3.484 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000192110942 1432799920 /nfs/dbraw/zinc/79/99/20/1432799920.db2.gz OTTAOVRWZLPJHD-IGGJQXEISA-N 0 1 381.810 3.460 20 0 GGADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000192110954 1432799972 /nfs/dbraw/zinc/79/99/72/1432799972.db2.gz OTTAOVRWZLPJHD-TYFHEEPYSA-N 0 1 381.810 3.460 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCCc1ccc(Cl)cc1 ZINC000192113106 1432800280 /nfs/dbraw/zinc/80/02/80/1432800280.db2.gz ZKTAPPLINGUKNN-AZUAARDMSA-N 0 1 394.849 3.397 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192117534 1432800624 /nfs/dbraw/zinc/80/06/24/1432800624.db2.gz SXGHPSPFVOPWFH-WIYYLYMNSA-N 0 1 390.430 3.052 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n(C(C)(C)C)n1 ZINC000192121559 1432801435 /nfs/dbraw/zinc/80/14/35/1432801435.db2.gz VHMHFAXRTRBKAQ-VQIMIIECSA-N 0 1 392.450 3.283 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000192122824 1432801641 /nfs/dbraw/zinc/80/16/41/1432801641.db2.gz ISUCUCUEMYJRGF-ABSDTBQOSA-N 0 1 388.414 3.199 20 0 GGADMN COc1cc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc(OC)c1 ZINC000192126179 1432802193 /nfs/dbraw/zinc/80/21/93/1432802193.db2.gz UCIFYVNQOVZPSD-ICSRJNTNSA-N 0 1 392.402 3.040 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000192129990 1432803251 /nfs/dbraw/zinc/80/32/51/1432803251.db2.gz LRNGOPSHJDJBQC-KBXCAEBGSA-N 0 1 379.407 3.309 20 0 GGADMN C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC000192132232 1432803755 /nfs/dbraw/zinc/80/37/55/1432803755.db2.gz ZEGLNHKBBNOFIP-JLBUNGTFSA-N 0 1 392.471 3.419 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC000192132220 1432803861 /nfs/dbraw/zinc/80/38/61/1432803861.db2.gz ZEGLNHKBBNOFIP-QHLBDZCJSA-N 0 1 392.471 3.419 20 0 GGADMN Cc1cc(-n2ccnc2)ccc1CN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000192135639 1432804368 /nfs/dbraw/zinc/80/43/68/1432804368.db2.gz WMKSKNAURWAYMD-UHFFFAOYSA-N 0 1 386.503 3.375 20 0 GGADMN C[C@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N(C)CC(F)(F)F ZINC000192135676 1432804380 /nfs/dbraw/zinc/80/43/80/1432804380.db2.gz AVLJDJYMYYJJEU-CYBMUJFWSA-N 0 1 391.865 3.303 20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192134208 1432804480 /nfs/dbraw/zinc/80/44/80/1432804480.db2.gz SUNFVOSGLMZXOY-YHJVDBJQSA-N 0 1 390.430 3.098 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCCc1ccc(F)cc1 ZINC000192136447 1432804746 /nfs/dbraw/zinc/80/47/46/1432804746.db2.gz QCPMFEXHAQERIJ-QTJFZDIUSA-N 0 1 392.421 3.271 20 0 GGADMN CCc1nc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)sc1C ZINC000192137630 1432805019 /nfs/dbraw/zinc/80/50/19/1432805019.db2.gz DNPQKABVTYVCDT-WBVHZDCISA-N 0 1 381.448 3.350 20 0 GGADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192140392 1432805627 /nfs/dbraw/zinc/80/56/27/1432805627.db2.gz VDSZCKAMVPYMLL-YARKZXGKSA-N 0 1 390.386 3.140 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192140401 1432805740 /nfs/dbraw/zinc/80/57/40/1432805740.db2.gz VDSZCKAMVPYMLL-WQFAYQGZSA-N 0 1 390.386 3.140 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccnn1C1CCCC1 ZINC000192142217 1432805919 /nfs/dbraw/zinc/80/59/19/1432805919.db2.gz YCVLUWOXEJSYDR-YLJYHZDGSA-N 0 1 390.434 3.335 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192143354 1432806214 /nfs/dbraw/zinc/80/62/14/1432806214.db2.gz XCHNIIUBSXTWCJ-LZHZSBQWSA-N 0 1 390.430 3.270 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000192143650 1432806352 /nfs/dbraw/zinc/80/63/52/1432806352.db2.gz 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GGADMN COc1cc(OC)cc([C@H](O)CNCc2c(F)cccc2Br)c1 ZINC000192567142 1432861305 /nfs/dbraw/zinc/86/13/05/1432861305.db2.gz HPWUKSYCFHLUQN-QGZVFWFLSA-N 0 1 384.245 3.429 20 0 GGADMN CCOc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc(Cl)c1[O-] ZINC000192577467 1432862207 /nfs/dbraw/zinc/86/22/07/1432862207.db2.gz XLFLGQAZJWYZKS-UHFFFAOYSA-N 0 1 389.883 3.234 20 0 GGADMN Cc1ccc(C2(C(=O)NC3CCN(Cc4cccnc4)CC3)CCOCC2)cc1 ZINC000192577347 1432862217 /nfs/dbraw/zinc/86/22/17/1432862217.db2.gz VGTKGLJRFCQXNA-UHFFFAOYSA-N 0 1 393.531 3.219 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)[nH]n2)cc1C ZINC000192578367 1432862482 /nfs/dbraw/zinc/86/24/82/1432862482.db2.gz UPVMNMPYJXNACY-UHFFFAOYSA-N 0 1 389.503 3.483 20 0 GGADMN C[C@H]1CCc2ccccc2N1CCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000192578588 1432862491 /nfs/dbraw/zinc/86/24/91/1432862491.db2.gz IXKMGJAZCKHXEF-IBGZPJMESA-N 0 1 392.547 3.394 20 0 GGADMN CN1CCN(CCNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000192580195 1432862740 /nfs/dbraw/zinc/86/27/40/1432862740.db2.gz FJSUCDQKRBHYBV-UHFFFAOYSA-N 0 1 396.516 3.047 20 0 GGADMN CCCc1noc2nc(C3CC3)cc(C(=O)Nn3cnc4ccccc4c3=O)c12 ZINC000192609810 1432865746 /nfs/dbraw/zinc/86/57/46/1432865746.db2.gz HBVRAUPHQGHXCL-UHFFFAOYSA-N 0 1 389.415 3.147 20 0 GGADMN COc1ccccc1N1CC[C@H](N(CCCO)[C@@H]2CCc3ccccc32)C1=O ZINC000192614007 1432866175 /nfs/dbraw/zinc/86/61/75/1432866175.db2.gz GSKTYYDXOFHSJW-CTNGQTDRSA-N 0 1 380.488 3.172 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)n(-c2ccccn2)n1 ZINC000192617635 1432866685 /nfs/dbraw/zinc/86/66/85/1432866685.db2.gz ZQTWRJMDLLWFAX-UHFFFAOYSA-N 0 1 384.461 3.090 20 0 GGADMN O=S(=O)(CCSc1nc(-c2ccccc2F)n[nH]1)c1ccc(F)cc1 ZINC000192633740 1432869166 /nfs/dbraw/zinc/86/91/66/1432869166.db2.gz ISSRQIKHHFEHBU-UHFFFAOYSA-N 0 1 381.429 3.316 20 0 GGADMN CC(C)N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CC1 ZINC000192633541 1432869193 /nfs/dbraw/zinc/86/91/93/1432869193.db2.gz WDQATJSIGWVQHO-UHFFFAOYSA-N 0 1 385.430 3.353 20 0 GGADMN O=S(=O)(CCNC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)cc1 ZINC000192667826 1432873285 /nfs/dbraw/zinc/87/32/85/1432873285.db2.gz AHYJUKYISDZTHW-UHFFFAOYSA-N 0 1 381.444 3.034 20 0 GGADMN COC(=O)[C@@H](CNC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccc(F)cc1 ZINC000192677379 1432874523 /nfs/dbraw/zinc/87/45/23/1432874523.db2.gz LQGRPETYEJOEOU-INIZCTEOSA-N 0 1 383.423 3.016 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3ncsc3c2)N(C)C)cc1 ZINC000192685357 1432875146 /nfs/dbraw/zinc/87/51/46/1432875146.db2.gz GJIXRNHBKQCNHM-SFHVURJKSA-N 0 1 396.516 3.216 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCN1CCCCC1 ZINC000192683414 1432875211 /nfs/dbraw/zinc/87/52/11/1432875211.db2.gz CCATZHDLBMTYMY-UHFFFAOYSA-N 0 1 377.485 3.385 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1C ZINC000192686078 1432875385 /nfs/dbraw/zinc/87/53/85/1432875385.db2.gz ZKLRDKPHXITOLB-UHFFFAOYSA-N 0 1 378.392 3.128 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2ncsc2c1 ZINC000192688066 1432875633 /nfs/dbraw/zinc/87/56/33/1432875633.db2.gz MMRTWVYDHOWGCQ-GOSISDBHSA-N 0 1 394.500 3.188 20 0 GGADMN COc1c(C)ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C ZINC000192688700 1432875658 /nfs/dbraw/zinc/87/56/58/1432875658.db2.gz MNRHGJNHFPSSND-HXUWFJFHSA-N 0 1 395.503 3.204 20 0 GGADMN C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccnn1C ZINC000192691658 1432875956 /nfs/dbraw/zinc/87/59/56/1432875956.db2.gz QJGIKYZHWKDILO-QGZVFWFLSA-N 0 1 394.498 3.132 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cnc(Cl)cn2)cc1 ZINC000192693756 1432876100 /nfs/dbraw/zinc/87/61/00/1432876100.db2.gz MMOZWSCKPWLPLT-UHFFFAOYSA-N 0 1 387.871 3.197 20 0 GGADMN O=S(=O)(CCN[C@@H](CN1CCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000192725461 1432880419 /nfs/dbraw/zinc/88/04/19/1432880419.db2.gz QGPRBMACGYMXLT-FQEVSTJZSA-N 0 1 376.497 3.026 20 0 GGADMN Cc1cnc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)o1 ZINC000192733944 1432882094 /nfs/dbraw/zinc/88/20/94/1432882094.db2.gz DBVLHFRDOFQFHI-UHFFFAOYSA-N 0 1 380.376 3.069 20 0 GGADMN O=C(CCc1cnc[nH]1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000192745698 1432883801 /nfs/dbraw/zinc/88/38/01/1432883801.db2.gz ZQERISVFCBJXPF-LJQANCHMSA-N 0 1 377.423 3.389 20 0 GGADMN Cc1cc(C(=O)NCCN2CCc3ccccc3C2)c(C)n1-c1nccs1 ZINC000192745578 1432883817 /nfs/dbraw/zinc/88/38/17/1432883817.db2.gz SQMDUNFENNCUMU-UHFFFAOYSA-N 0 1 380.517 3.339 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cnc(Cl)cn1 ZINC000192745815 1432883850 /nfs/dbraw/zinc/88/38/50/1432883850.db2.gz QSPXWDRIQAVNQI-CYBMUJFWSA-N 0 1 384.789 3.153 20 0 GGADMN O=C(CCc1cnc[nH]1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000192745680 1432883918 /nfs/dbraw/zinc/88/39/18/1432883918.db2.gz ZQERISVFCBJXPF-IBGZPJMESA-N 0 1 377.423 3.389 20 0 GGADMN CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000192758494 1432885535 /nfs/dbraw/zinc/88/55/35/1432885535.db2.gz VFRIXSNEZWCMHC-WBVHZDCISA-N 0 1 384.476 3.437 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1OC ZINC000192780272 1432889556 /nfs/dbraw/zinc/88/95/56/1432889556.db2.gz AQSWPWYIZCETEF-UHFFFAOYSA-N 0 1 393.852 3.344 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000192780616 1432889770 /nfs/dbraw/zinc/88/97/70/1432889770.db2.gz GLHMEHYMCXBOMZ-FQEVSTJZSA-N 0 1 383.411 3.252 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)CC)cc2Cl)CC1 ZINC000192802736 1432892859 /nfs/dbraw/zinc/89/28/59/1432892859.db2.gz YCKOKIZAKUMURK-UHFFFAOYSA-N 0 1 394.947 3.115 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)on1 ZINC000192810035 1432893529 /nfs/dbraw/zinc/89/35/29/1432893529.db2.gz QGJVBVXOSVMIMP-DLBZAZTESA-N 0 1 395.503 3.390 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)on1 ZINC000192810020 1432893607 /nfs/dbraw/zinc/89/36/07/1432893607.db2.gz QGJVBVXOSVMIMP-IAGOWNOFSA-N 0 1 395.503 3.390 20 0 GGADMN Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(-c2ccccn2)n1 ZINC000192819575 1432894618 /nfs/dbraw/zinc/89/46/18/1432894618.db2.gz HOCOECLDJRYTJF-LJQANCHMSA-N 0 1 390.491 3.362 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000192820006 1432894650 /nfs/dbraw/zinc/89/46/50/1432894650.db2.gz RHAQVBJMWDKBOH-ZDUSSCGKSA-N 0 1 398.891 3.184 20 0 GGADMN Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)sc1C ZINC000192826596 1432895691 /nfs/dbraw/zinc/89/56/91/1432895691.db2.gz KGEXUJQZHZQNEG-OAHLLOKOSA-N 0 1 383.477 3.247 20 0 GGADMN Cc1nc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)sc1C ZINC000192826582 1432895721 /nfs/dbraw/zinc/89/57/21/1432895721.db2.gz KGEXUJQZHZQNEG-HNNXBMFYSA-N 0 1 383.477 3.247 20 0 GGADMN C[C@@H](O)C[N@H+]1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)[C@@H](C)C1 ZINC000192827915 1432895766 /nfs/dbraw/zinc/89/57/66/1432895766.db2.gz SISVFTOFDNECQN-DLBZAZTESA-N 0 1 389.927 3.201 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)[C@@H](C)C1 ZINC000192827915 1432895768 /nfs/dbraw/zinc/89/57/68/1432895768.db2.gz SISVFTOFDNECQN-DLBZAZTESA-N 0 1 389.927 3.201 20 0 GGADMN CCN1CCc2nc3ccccc3c(C(=O)N3CCN(C4CCCC4)CC3)c2C1 ZINC000192826866 1432895788 /nfs/dbraw/zinc/89/57/88/1432895788.db2.gz XLGXYOMKBTZBKJ-UHFFFAOYSA-N 0 1 392.547 3.313 20 0 GGADMN CC[C@]1(C)NC(=O)N(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1=O ZINC000192845140 1432898086 /nfs/dbraw/zinc/89/80/86/1432898086.db2.gz AYQRLERRGFTSRN-KRWDZBQOSA-N 0 1 392.868 3.137 20 0 GGADMN CCn1c(CN[C@@H](C)c2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000192866374 1432900613 /nfs/dbraw/zinc/90/06/13/1432900613.db2.gz IAKBYVJCYQGYEI-ZDUSSCGKSA-N 0 1 392.550 3.219 20 0 GGADMN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN[C@H](C)c2cccs2)c1 ZINC000192869263 1432901198 /nfs/dbraw/zinc/90/11/98/1432901198.db2.gz XMSHMYQLHGSTIZ-CQSZACIVSA-N 0 1 395.550 3.068 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN[C@H](C)c2cccs2)cc1 ZINC000192868725 1432901277 /nfs/dbraw/zinc/90/12/77/1432901277.db2.gz SIXSGZPQCMQQPT-CQSZACIVSA-N 0 1 395.550 3.068 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)NCc1ccccc1CN1CCCC1=O ZINC000192880584 1432902490 /nfs/dbraw/zinc/90/24/90/1432902490.db2.gz VUSMDRPQEHRRMI-LJQANCHMSA-N 0 1 393.531 3.254 20 0 GGADMN CCc1ccccc1NC(=O)[C@H](C)NCc1ccccc1CN1CCCC1=O ZINC000192880690 1432902559 /nfs/dbraw/zinc/90/25/59/1432902559.db2.gz BUKHYSBBQLGGJD-KRWDZBQOSA-N 0 1 379.504 3.488 20 0 GGADMN Cc1noc(CCCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 ZINC000192903796 1432905349 /nfs/dbraw/zinc/90/53/49/1432905349.db2.gz NUBDMBPGPBDSGX-OAQYLSRUSA-N 0 1 375.432 3.483 20 0 GGADMN COc1ccc([C@@H](CNC(=O)[C@H]2CSCCS2)N2CCCCC2)cc1 ZINC000192908764 1432905880 /nfs/dbraw/zinc/90/58/80/1432905880.db2.gz WSQXMUXINVKKPV-QZTJIDSGSA-N 0 1 380.579 3.187 20 0 GGADMN C[C@@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1cccc(-n2cccn2)c1 ZINC000192927327 1432908970 /nfs/dbraw/zinc/90/89/70/1432908970.db2.gz CPLSCKDKRGGNGV-SNVBAGLBSA-N 0 1 399.369 3.468 20 0 GGADMN COc1ccccc1Nc1ccccc1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000192927332 1432909032 /nfs/dbraw/zinc/90/90/32/1432909032.db2.gz LJNZMSUBIQBSSX-SFHVURJKSA-N 0 1 396.535 3.052 20 0 GGADMN C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)N(C)Cc1cccc(F)c1 ZINC000192949362 1432911715 /nfs/dbraw/zinc/91/17/15/1432911715.db2.gz LSDYMXFROSSHNO-LBPRGKRZSA-N 0 1 386.452 3.456 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)cc2)o1 ZINC000192949368 1432911718 /nfs/dbraw/zinc/91/17/18/1432911718.db2.gz HAVOYKDQXSHROH-UHFFFAOYSA-N 0 1 392.440 3.438 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1cccnc1Cl ZINC000192950782 1432911986 /nfs/dbraw/zinc/91/19/86/1432911986.db2.gz WPPWHAIURVWYBH-SECBINFHSA-N 0 1 375.841 3.345 20 0 GGADMN O=C(NC1CC1)[C@H](Sc1nc(-c2ccccc2O)n[nH]1)c1ccc(F)cc1 ZINC000192952060 1432911990 /nfs/dbraw/zinc/91/19/90/1432911990.db2.gz PGANVTQCPNCJLN-MRXNPFEDSA-N 0 1 384.436 3.428 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000192953565 1432912508 /nfs/dbraw/zinc/91/25/08/1432912508.db2.gz NUVCILQMDBDDNQ-IAGOWNOFSA-N 0 1 377.872 3.103 20 0 GGADMN COC(=O)Cn1ncc(NC2CCN(Cc3ccccc3Cl)CC2)c1C ZINC000192998927 1432919678 /nfs/dbraw/zinc/91/96/78/1432919678.db2.gz KRIHYPKCSFMEKN-UHFFFAOYSA-N 0 1 376.888 3.094 20 0 GGADMN COC(=O)c1ccc(CCNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000192998876 1432919690 /nfs/dbraw/zinc/91/96/90/1432919690.db2.gz NMJZFRLHOFZUKE-LJQANCHMSA-N 0 1 399.491 3.135 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCC1 ZINC000193006653 1432921174 /nfs/dbraw/zinc/92/11/74/1432921174.db2.gz SLOABWJRVYOWCL-KRWDZBQOSA-N 0 1 399.495 3.285 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)NCc1ccc(Cl)cc1 ZINC000193037064 1432925853 /nfs/dbraw/zinc/92/58/53/1432925853.db2.gz BHXZDRPXSMHKGI-UHFFFAOYSA-N 0 1 393.896 3.126 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)c(Cl)n1 ZINC000193037099 1432925864 /nfs/dbraw/zinc/92/58/64/1432925864.db2.gz VGMBCDLUILGEMH-UHFFFAOYSA-N 0 1 380.832 3.228 20 0 GGADMN CC(C)CN(CC(C)C)C(=O)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000193038188 1432925876 /nfs/dbraw/zinc/92/58/76/1432925876.db2.gz FZYPGRWOXOCADK-UHFFFAOYSA-N 0 1 381.542 3.297 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2nccc3ccccc32)N(C)C)c1 ZINC000193068163 1432931372 /nfs/dbraw/zinc/93/13/72/1432931372.db2.gz OQDWGNRRFXQKAV-OAQYLSRUSA-N 0 1 378.476 3.346 20 0 GGADMN O=C(CCc1cnc[nH]1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000193076750 1432932645 /nfs/dbraw/zinc/93/26/45/1432932645.db2.gz SPXHLCMWJIFDFR-AWEZNQCLSA-N 0 1 385.855 3.452 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCCN(CC(F)(F)F)CC1 ZINC000193089224 1432934504 /nfs/dbraw/zinc/93/45/04/1432934504.db2.gz FEVGATXOSUDTGC-UHFFFAOYSA-N 0 1 386.805 3.440 20 0 GGADMN CC(=O)Nc1nc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cs1 ZINC000193100995 1432935882 /nfs/dbraw/zinc/93/58/82/1432935882.db2.gz FALNFPDVNMPXMR-SFHVURJKSA-N 0 1 391.456 3.497 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2cc(F)cc(F)c2)N(C)C)cc1OC ZINC000193103002 1432936260 /nfs/dbraw/zinc/93/62/60/1432936260.db2.gz HEFUPULLCNADSA-KRWDZBQOSA-N 0 1 393.434 3.084 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCc3ccccc3C2)N(C)C)cc1OC ZINC000193105500 1432936575 /nfs/dbraw/zinc/93/65/75/1432936575.db2.gz QGECZJRPBJHKMN-IBGZPJMESA-N 0 1 383.492 3.074 20 0 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GGADMN CCC[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)CCN1Cc1ccccc1 ZINC000194455751 1433181088 /nfs/dbraw/zinc/18/10/88/1433181088.db2.gz BQHFOOGEIUTQIR-QGZVFWFLSA-N 0 1 376.451 3.275 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nc(N(C)C)no4)C3)n[nH]2)c(C)c1 ZINC000194473169 1433183738 /nfs/dbraw/zinc/18/37/38/1433183738.db2.gz DHEJLINCJSBHMT-OAHLLOKOSA-N 0 1 394.479 3.162 20 0 GGADMN CC[C@@H]1CCc2nc(NC(=O)NC[C@H](C(C)C)N3CCN(C)CC3)sc2C1 ZINC000194477984 1433184665 /nfs/dbraw/zinc/18/46/65/1433184665.db2.gz LKJBJOZLNILBQN-NVXWUHKLSA-N 0 1 393.601 3.052 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nc(N(C)C)no4)C3)n[nH]2)cc1C ZINC000194503058 1433188488 /nfs/dbraw/zinc/18/84/88/1433188488.db2.gz JBHHLPKKSFAGGS-INIZCTEOSA-N 0 1 394.479 3.162 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nc(N(C)C)no4)C3)n[nH]2)cc1C ZINC000194503073 1433188509 /nfs/dbraw/zinc/18/85/09/1433188509.db2.gz JBHHLPKKSFAGGS-MRXNPFEDSA-N 0 1 394.479 3.162 20 0 GGADMN Cc1ccc([C@H](O)CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 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1 392.569 3.377 20 0 GGADMN CC(C)OCc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000194554829 1433196436 /nfs/dbraw/zinc/19/64/36/1433196436.db2.gz FUBFBSDCJCOHAB-JOCHJYFZSA-N 0 1 397.519 3.152 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000194555863 1433196835 /nfs/dbraw/zinc/19/68/35/1433196835.db2.gz PKBXVLNKKGXEFL-LBPRGKRZSA-N 0 1 376.482 3.268 20 0 GGADMN O=S(=O)(Cc1c(F)cccc1F)Nc1ccccc1OCCn1ccnc1 ZINC000194565715 1433198530 /nfs/dbraw/zinc/19/85/30/1433198530.db2.gz VKLMPDXHGPUNPD-UHFFFAOYSA-N 0 1 393.415 3.182 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(Br)c1 ZINC000194583689 1433201827 /nfs/dbraw/zinc/20/18/27/1433201827.db2.gz XRAZMRGHTCGSAH-UHFFFAOYSA-N 0 1 390.262 3.086 20 0 GGADMN CCOCc1ccc(CNC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000194599981 1433203614 /nfs/dbraw/zinc/20/36/14/1433203614.db2.gz LLEGTBDVMXWGIA-UHFFFAOYSA-N 0 1 396.516 3.341 20 0 GGADMN Cc1nc(Cl)ccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000194598206 1433203621 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CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 ZINC000194643248 1433210206 /nfs/dbraw/zinc/21/02/06/1433210206.db2.gz NLWLZTHMMLWPBX-UHFFFAOYSA-N 0 1 385.445 3.208 20 0 GGADMN O=C(NCc1ccc2ncccc2c1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000194643483 1433210224 /nfs/dbraw/zinc/21/02/24/1433210224.db2.gz HRYCLXIYBYXXOI-UHFFFAOYSA-N 0 1 395.369 3.304 20 0 GGADMN CCc1noc2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc12 ZINC000194670570 1433213423 /nfs/dbraw/zinc/21/34/23/1433213423.db2.gz BUYVCIKBXLJOMA-UHFFFAOYSA-N 0 1 379.464 3.098 20 0 GGADMN Cc1cc(CNC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)on1 ZINC000194684730 1433215213 /nfs/dbraw/zinc/21/52/13/1433215213.db2.gz RAYCMTZOOBDHRV-UHFFFAOYSA-N 0 1 396.413 3.419 20 0 GGADMN CCc1noc2ncc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)cc12 ZINC000194688714 1433215748 /nfs/dbraw/zinc/21/57/48/1433215748.db2.gz FSCZCCKRBDEZRW-UHFFFAOYSA-N 0 1 399.882 3.443 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000194694718 1433216354 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CC[C@H](c1ccncc1)N(CC)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000194789343 1433232946 /nfs/dbraw/zinc/23/29/46/1433232946.db2.gz JLAFTWUGBSCZJS-QGZVFWFLSA-N 0 1 382.489 3.080 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1C ZINC000194792260 1433233350 /nfs/dbraw/zinc/23/33/50/1433233350.db2.gz DPABMIKDZKZMSE-UHFFFAOYSA-N 0 1 388.449 3.300 20 0 GGADMN O=C(Nc1cc(F)cc(N2CCOCC2)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000194797329 1433235071 /nfs/dbraw/zinc/23/50/71/1433235071.db2.gz ILVLUMLVJYTUSH-OAQYLSRUSA-N 0 1 383.467 3.265 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCC2(SC)CC2)N2CCCCC2)cc1 ZINC000194805660 1433236687 /nfs/dbraw/zinc/23/66/87/1433236687.db2.gz JPWVDBNVNSPYED-GOSISDBHSA-N 0 1 377.554 3.417 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC2CCOCC2)CC1 ZINC000194807360 1433237121 /nfs/dbraw/zinc/23/71/21/1433237121.db2.gz JOAWHSVLGYUQAJ-UHFFFAOYSA-N 0 1 380.920 3.030 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC(CC(N)=O)CC2)c1 ZINC000194810436 1433238038 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COc1ccccc1[C@H](C)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000215965364 1433362760 /nfs/dbraw/zinc/36/27/60/1433362760.db2.gz YDFYIDQYDZFBOQ-INIZCTEOSA-N 0 1 387.911 3.348 20 0 GGADMN COc1ccc([C@H](NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)C(C)C)cc1 ZINC000216618026 1433364239 /nfs/dbraw/zinc/36/42/39/1433364239.db2.gz RGQWWZWRUSLNCX-AUUYWEPGSA-N 0 1 394.475 3.203 20 0 GGADMN COc1cc(C(=O)N[C@@H]2CN3CCC2CC3)cc(OC)c1OCc1ccccc1 ZINC000223445640 1433366564 /nfs/dbraw/zinc/36/65/64/1433366564.db2.gz NKWBCOMXCYSHQQ-LJQANCHMSA-N 0 1 396.487 3.107 20 0 GGADMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000227303981 1433369482 /nfs/dbraw/zinc/36/94/82/1433369482.db2.gz NPTXUEDRGPJQHK-DZGCQCFKSA-N 0 1 382.851 3.171 20 0 GGADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000227303981 1433369484 /nfs/dbraw/zinc/36/94/84/1433369484.db2.gz NPTXUEDRGPJQHK-DZGCQCFKSA-N 0 1 382.851 3.171 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c2cccs2)CC1 ZINC000227382436 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387.274 3.181 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000228751187 1433371407 /nfs/dbraw/zinc/37/14/07/1433371407.db2.gz XZPOIVRMACJXNU-SIKLNZKXSA-N 0 1 385.552 3.369 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000228575042 1433371428 /nfs/dbraw/zinc/37/14/28/1433371428.db2.gz ARFLQQRSJNOKHK-MJGOQNOKSA-N 0 1 389.540 3.270 20 0 GGADMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1 ZINC000231688791 1433373225 /nfs/dbraw/zinc/37/32/25/1433373225.db2.gz WDRKGDBANPSPEE-UHFFFAOYSA-N 0 1 386.658 3.478 20 0 GGADMN Brc1ccccc1CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000236573834 1433374021 /nfs/dbraw/zinc/37/40/21/1433374021.db2.gz WQHGGHPQTYNTRD-SFHVURJKSA-N 0 1 375.310 3.440 20 0 GGADMN CC(C)(C)N1C[C@@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1=O ZINC000236648192 1433375081 /nfs/dbraw/zinc/37/50/81/1433375081.db2.gz MJFRGTALQLOGSB-DLBZAZTESA-N 0 1 380.916 3.387 20 0 GGADMN CC(C)(CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1cccc(F)c1 ZINC000236667215 1433375670 /nfs/dbraw/zinc/37/56/70/1433375670.db2.gz ZMQXQMIJXDQQDL-NRFANRHFSA-N 0 1 394.494 3.034 20 0 GGADMN CC(C)[C@@H](CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccccc1 ZINC000236683572 1433375977 /nfs/dbraw/zinc/37/59/77/1433375977.db2.gz SIAMZHOURHAYDF-PKTZIBPZSA-N 0 1 390.531 3.357 20 0 GGADMN CCC(CC)(C[NH3+])C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000236714664 1433376698 /nfs/dbraw/zinc/37/66/98/1433376698.db2.gz UOJPRDFGERNCRU-UHFFFAOYSA-N 0 1 389.521 3.499 20 0 GGADMN CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3)cc2)CC1 ZINC000236716090 1433376846 /nfs/dbraw/zinc/37/68/46/1433376846.db2.gz WXXPSTNUFBPTQR-NRFANRHFSA-N 0 1 377.488 3.212 20 0 GGADMN CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3NCCc4ccccc43)cc2)CC1 ZINC000236716270 1433376852 /nfs/dbraw/zinc/37/68/52/1433376852.db2.gz AAMOFTYRBLULMG-NRFANRHFSA-N 0 1 377.488 3.384 20 0 GGADMN CCCC[C@H](C[NH3+])NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000236732187 1433377233 /nfs/dbraw/zinc/37/72/33/1433377233.db2.gz WUSPZKPISLWIPK-GOSISDBHSA-N 0 1 389.521 3.043 20 0 GGADMN CCCCn1nc(C)c(CNCc2ccc(N3CCN(C)CC3)nc2)c1Cl ZINC000236756282 1433377847 /nfs/dbraw/zinc/37/78/47/1433377847.db2.gz KYSMYGDSOQDPRJ-UHFFFAOYSA-N 0 1 390.963 3.082 20 0 GGADMN CCCOc1cccc(CN[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 ZINC000236772756 1433378239 /nfs/dbraw/zinc/37/82/39/1433378239.db2.gz VMFMWRNSAVCUFX-NRFANRHFSA-N 0 1 384.476 3.388 20 0 GGADMN CCCOc1cccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000236774984 1433378349 /nfs/dbraw/zinc/37/83/49/1433378349.db2.gz ULVOTQYJEPYKRR-NRFANRHFSA-N 0 1 378.476 3.229 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000236773009 1433378383 /nfs/dbraw/zinc/37/83/83/1433378383.db2.gz FUROYKLNBRPCKK-HOCLYGCPSA-N 0 1 379.888 3.044 20 0 GGADMN CCC(CC)(C[NH3+])NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000236806022 1433379493 /nfs/dbraw/zinc/37/94/93/1433379493.db2.gz ZGHJEGRJSSRNRT-UHFFFAOYSA-N 0 1 389.521 3.043 20 0 GGADMN CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000236822079 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SGLXBKXYJYCORA-BTYIYWSLSA-N 0 1 386.517 3.407 20 0 GGADMN CCOc1ccc(C2(CNC(=O)[C@@H]3NCCc4ccccc43)CCOCC2)cc1 ZINC000236965223 1433384296 /nfs/dbraw/zinc/38/42/96/1433384296.db2.gz YKXXSUPBEJOESM-JOCHJYFZSA-N 0 1 394.515 3.137 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CNc2ccccc2)CC1 ZINC000236979445 1433384879 /nfs/dbraw/zinc/38/48/79/1433384879.db2.gz CFWIDKXNOQFAIK-QGZVFWFLSA-N 0 1 384.499 3.257 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CNc2ccccc2)CC1 ZINC000236983375 1433384909 /nfs/dbraw/zinc/38/49/09/1433384909.db2.gz CFWIDKXNOQFAIK-KRWDZBQOSA-N 0 1 384.499 3.257 20 0 GGADMN CCS(=O)(=O)CCNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000236998931 1433385524 /nfs/dbraw/zinc/38/55/24/1433385524.db2.gz MJZLEOXBGBOIQX-UHFFFAOYSA-N 0 1 380.897 3.117 20 0 GGADMN CCC[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1 ZINC000237030615 1433386326 /nfs/dbraw/zinc/38/63/26/1433386326.db2.gz QWOIMVFLFJGBFM-GGAORHGYSA-N 0 1 390.531 3.329 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cnc3ccccn23)cc1 ZINC000237031237 1433386534 /nfs/dbraw/zinc/38/65/34/1433386534.db2.gz WNLTWHIXYHYBTH-MRXNPFEDSA-N 0 1 386.521 3.216 20 0 GGADMN CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1Cl ZINC000237033214 1433386578 /nfs/dbraw/zinc/38/65/78/1433386578.db2.gz CMDUDRIELRRKLX-IBGZPJMESA-N 0 1 389.883 3.226 20 0 GGADMN CCOc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2)ccc1OC(F)F ZINC000237072031 1433387793 /nfs/dbraw/zinc/38/77/93/1433387793.db2.gz VDEGRNIUAUDZBX-INIZCTEOSA-N 0 1 376.403 3.017 20 0 GGADMN CN1CCN(c2ccc(CNCc3csc(-c4cccs4)n3)cn2)CC1 ZINC000237110645 1433389534 /nfs/dbraw/zinc/38/95/34/1433389534.db2.gz VYYITFLABBCLJL-UHFFFAOYSA-N 0 1 385.562 3.308 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000237133351 1433390292 /nfs/dbraw/zinc/39/02/92/1433390292.db2.gz OEORZBMARGFGNZ-OLZOCXBDSA-N 0 1 387.871 3.459 20 0 GGADMN CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000237128843 1433390305 /nfs/dbraw/zinc/39/03/05/1433390305.db2.gz UTAXEBCESQGJSX-JOCHJYFZSA-N 0 1 375.472 3.447 20 0 GGADMN CCc1ccc(CN(C)C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000237136546 1433390622 /nfs/dbraw/zinc/39/06/22/1433390622.db2.gz CWCZCFSCXPDLHL-QFIPXVFZSA-N 0 1 376.504 3.022 20 0 GGADMN COC(=O)CCSCc1cccc(NC(=O)[C@@H]2NCCc3ccccc32)c1 ZINC000237160281 1433391179 /nfs/dbraw/zinc/39/11/79/1433391179.db2.gz VNAMHRGOQYCYJR-HXUWFJFHSA-N 0 1 384.501 3.308 20 0 GGADMN COC(=O)COc1c(C)cc(CNCc2cnn(Cc3ccccc3)c2)cc1C ZINC000237185289 1433392036 /nfs/dbraw/zinc/39/20/36/1433392036.db2.gz UVOQCNMVCUAKED-UHFFFAOYSA-N 0 1 393.487 3.390 20 0 GGADMN COc1cc(CNCc2ccc(N3CCCC3)nc2)cc(Br)c1O ZINC000237249448 1433394185 /nfs/dbraw/zinc/39/41/85/1433394185.db2.gz LHNJIAILIZTQNH-UHFFFAOYSA-N 0 1 392.297 3.448 20 0 GGADMN COc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3CN2)c(SC)cc1OC ZINC000237301153 1433396422 /nfs/dbraw/zinc/39/64/22/1433396422.db2.gz YLNAQBXFTNWMFW-QGZVFWFLSA-N 0 1 386.517 3.099 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2NCCc3ccccc32)cc1N1CCCCC1=O ZINC000237314590 1433396813 /nfs/dbraw/zinc/39/68/13/1433396813.db2.gz IBVOXPUNIPJRRS-OAQYLSRUSA-N 0 1 379.460 3.038 20 0 GGADMN COc1cccc([C@@H](O)CNCc2cc(OC)c(OC)cc2Br)c1 ZINC000237316135 1433396897 /nfs/dbraw/zinc/39/68/97/1433396897.db2.gz HCEOOSUXZKQSHP-INIZCTEOSA-N 0 1 396.281 3.298 20 0 GGADMN COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1OCc1cccnc1 ZINC000237320479 1433397083 /nfs/dbraw/zinc/39/70/83/1433397083.db2.gz CNNZVWCAZTYAHE-HXUWFJFHSA-N 0 1 389.455 3.322 20 0 GGADMN COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1OCC(F)(F)F ZINC000237320456 1433397094 /nfs/dbraw/zinc/39/70/94/1433397094.db2.gz QGTQWGQPBIYHEQ-OAHLLOKOSA-N 0 1 380.366 3.289 20 0 GGADMN COc1ccc(Br)c(CNC[C@H](O)c2cc(OC)ccc2OC)c1 ZINC000237327665 1433397355 /nfs/dbraw/zinc/39/73/55/1433397355.db2.gz NEVIOQORPGYIHE-KRWDZBQOSA-N 0 1 396.281 3.298 20 0 GGADMN COc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1OC1CCCC1 ZINC000237326426 1433397542 /nfs/dbraw/zinc/39/75/42/1433397542.db2.gz JDYJZMYVUGRGON-HXUWFJFHSA-N 0 1 380.488 3.347 20 0 GGADMN C[C@@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)[C@H](C)c1ccccc1 ZINC000237329376 1433397697 /nfs/dbraw/zinc/39/76/97/1433397697.db2.gz GCANIBPYZZAGDG-SVMVAKDDSA-N 0 1 376.504 3.110 20 0 GGADMN CS(=O)(=O)Cc1ccccc1CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000237347109 1433398310 /nfs/dbraw/zinc/39/83/10/1433398310.db2.gz IZCUZUPZNLQTNK-UHFFFAOYSA-N 0 1 389.908 3.360 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3cccc(OC(C)C)c3)C2=O)c1 ZINC000237350722 1433398590 /nfs/dbraw/zinc/39/85/90/1433398590.db2.gz VDKADKGPAOYXBQ-OAQYLSRUSA-N 0 1 384.476 3.386 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(F)c(Cl)c3)C2=O)c1 ZINC000237354068 1433398873 /nfs/dbraw/zinc/39/88/73/1433398873.db2.gz PQRMFQFOQOJEDQ-SFHVURJKSA-N 0 1 378.831 3.391 20 0 GGADMN COc1ccc(CNCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000237360245 1433399084 /nfs/dbraw/zinc/39/90/84/1433399084.db2.gz OVAGNOQZQCXUJX-UHFFFAOYSA-N 0 1 387.911 3.095 20 0 GGADMN COc1cc2c(c(CNC[C@H]3CN(Cc4ccccc4)CCO3)c1)O[C@@H](C)C2 ZINC000237403154 1433401181 /nfs/dbraw/zinc/40/11/81/1433401181.db2.gz KGPQJRHUIWSZME-JTSKRJEESA-N 0 1 382.504 3.009 20 0 GGADMN COc1cc2c(c(CNCc3cccc(CN4CCOCC4)c3)c1)O[C@H](C)C2 ZINC000237412998 1433401712 /nfs/dbraw/zinc/40/17/12/1433401712.db2.gz QSWGGSWXIBYWRL-QGZVFWFLSA-N 0 1 382.504 3.141 20 0 GGADMN COc1cc2c(c(CNCc3cccc(CN4CCCC4=O)c3)c1)O[C@H](C)C2 ZINC000237412806 1433401736 /nfs/dbraw/zinc/40/17/36/1433401736.db2.gz LCWFMXPSGXXAGM-MRXNPFEDSA-N 0 1 380.488 3.431 20 0 GGADMN C[C@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccc(Cl)s1 ZINC000237436151 1433402869 /nfs/dbraw/zinc/40/28/69/1433402869.db2.gz NTHPGZWCMCEBEC-BBRMVZONSA-N 0 1 388.924 3.394 20 0 GGADMN C[C@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)[C@@H](C)c1ccccc1 ZINC000237435180 1433402897 /nfs/dbraw/zinc/40/28/97/1433402897.db2.gz GCANIBPYZZAGDG-FGSXEWAUSA-N 0 1 376.504 3.110 20 0 GGADMN COc1cc2c(c(CN[C@H](Cc3ccccc3)C(=O)N3CCCC3)c1)O[C@@H](C)C2 ZINC000237431663 1433402906 /nfs/dbraw/zinc/40/29/06/1433402906.db2.gz JBXMFRSSUNGXNH-HTAPYJJXSA-N 0 1 394.515 3.342 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CNCCNC(=O)c2cccs2)c1 ZINC000237434426 1433402947 /nfs/dbraw/zinc/40/29/47/1433402947.db2.gz ATHIWYKRTGLJAK-UHFFFAOYSA-N 0 1 397.500 3.250 20 0 GGADMN COc1cc2c(c(CN[C@H](CN3CCOCC3)c3ccccc3)c1)O[C@H](C)C2 ZINC000237431567 1433402977 /nfs/dbraw/zinc/40/29/77/1433402977.db2.gz NYRWEDFHPYPFPB-VGOFRKELSA-N 0 1 382.504 3.182 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3cccc4c3OC(C)(C)C4)C2=O)c1 ZINC000237455851 1433403996 /nfs/dbraw/zinc/40/39/96/1433403996.db2.gz YNOKBOKEZDVVTJ-HXUWFJFHSA-N 0 1 396.487 3.312 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc4c(c3)CC(C)(C)O4)C2=O)c1 ZINC000237456541 1433404007 /nfs/dbraw/zinc/40/40/07/1433404007.db2.gz XUEBOQQVPRUICU-HXUWFJFHSA-N 0 1 396.487 3.312 20 0 GGADMN Cc1c([C@H](C)NC(=O)[C@@H]2NCCc3ccccc32)cnn1-c1ccc(F)cc1 ZINC000237469371 1433404774 /nfs/dbraw/zinc/40/47/74/1433404774.db2.gz ZARAUOXGIWYTKP-LHSJRXKWSA-N 0 1 378.451 3.384 20 0 GGADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000237511746 1433407458 /nfs/dbraw/zinc/40/74/58/1433407458.db2.gz ASVXTBYFDJSBRM-GASCZTMLSA-N 0 1 396.553 3.038 20 0 GGADMN COc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c(OC2CCCC2)c1 ZINC000237531770 1433408187 /nfs/dbraw/zinc/40/81/87/1433408187.db2.gz UNWUOAUPORDWKH-OAQYLSRUSA-N 0 1 380.488 3.347 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3Cc4ccccc4CN3)cc2F)C[C@H](C)O1 ZINC000237550612 1433408816 /nfs/dbraw/zinc/40/88/16/1433408816.db2.gz PMDLCDCFKQIFRP-QEEYODRMSA-N 0 1 383.467 3.092 20 0 GGADMN Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000237590069 1433410915 /nfs/dbraw/zinc/41/09/15/1433410915.db2.gz BDVUYBCIWNJKGF-UHFFFAOYSA-N 0 1 387.505 3.396 20 0 GGADMN Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000237598557 1433411739 /nfs/dbraw/zinc/41/17/39/1433411739.db2.gz PUZXPDDMACGEEA-UHFFFAOYSA-N 0 1 387.505 3.124 20 0 GGADMN Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237598120 1433411878 /nfs/dbraw/zinc/41/18/78/1433411878.db2.gz XBDQLKITFAGXMC-UHFFFAOYSA-N 0 1 387.505 3.124 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237606745 1433412130 /nfs/dbraw/zinc/41/21/30/1433412130.db2.gz URHNBOJTBHWAAO-QGZVFWFLSA-N 0 1 375.494 3.108 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000237607044 1433412160 /nfs/dbraw/zinc/41/21/60/1433412160.db2.gz GTDPMRVYBDOCSS-QGZVFWFLSA-N 0 1 375.494 3.108 20 0 GGADMN C[C@H](NCc1cnc(N2CCOCC2)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000237613690 1433412681 /nfs/dbraw/zinc/41/26/81/1433412681.db2.gz IQXSDPFVIABMDT-AWEZNQCLSA-N 0 1 386.521 3.179 20 0 GGADMN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000237662900 1433415318 /nfs/dbraw/zinc/41/53/18/1433415318.db2.gz LOFMONBWEGASAL-HXUWFJFHSA-N 0 1 382.891 3.476 20 0 GGADMN C[C@H](CN1CCOCC1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000237669910 1433416103 /nfs/dbraw/zinc/41/61/03/1433416103.db2.gz ZOYMHORECHCTOF-CYBMUJFWSA-N 0 1 396.354 3.383 20 0 GGADMN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1NCCc2ccccc21 ZINC000237674226 1433416281 /nfs/dbraw/zinc/41/62/81/1433416281.db2.gz SAURUGSQFYREHY-FQEVSTJZSA-N 0 1 384.907 3.391 20 0 GGADMN FC(F)(F)COc1ccc(CNCc2cnc(N3CCOCC3)s2)cc1 ZINC000237684952 1433416977 /nfs/dbraw/zinc/41/69/77/1433416977.db2.gz KLGGRXAWLVBEIX-UHFFFAOYSA-N 0 1 387.427 3.211 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1OCC1CCOCC1 ZINC000237710153 1433418162 /nfs/dbraw/zinc/41/81/62/1433418162.db2.gz INCBJGYBVKCLFD-OAQYLSRUSA-N 0 1 380.488 3.453 20 0 GGADMN [NH3+]C1(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000237732181 1433419497 /nfs/dbraw/zinc/41/94/97/1433419497.db2.gz XBEDIUOOCVSSNH-UHFFFAOYSA-N 0 1 393.896 3.351 20 0 GGADMN C[C@H]1CN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CCN1 ZINC000237751076 1433421098 /nfs/dbraw/zinc/42/10/98/1433421098.db2.gz JHHARUOWAJLYCA-HNNXBMFYSA-N 0 1 377.444 3.048 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)CC3([NH3+])CCC3)ccc2C)c1 ZINC000237753750 1433421288 /nfs/dbraw/zinc/42/12/88/1433421288.db2.gz NVWDAEFPAGIJKK-UHFFFAOYSA-N 0 1 387.505 3.314 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CCCC[NH2+]3)ccc2C)c1 ZINC000237754273 1433421387 /nfs/dbraw/zinc/42/13/87/1433421387.db2.gz KVMWQLHUKUGHIC-SFHVURJKSA-N 0 1 387.505 3.185 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccccc1Cn1cccn1 ZINC000237766323 1433422058 /nfs/dbraw/zinc/42/20/58/1433422058.db2.gz VLMVXQSWJXNUIE-UHFFFAOYSA-N 0 1 393.413 3.204 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccccc1-n1cccn1 ZINC000237766884 1433422297 /nfs/dbraw/zinc/42/22/97/1433422297.db2.gz HSZFNHIWDADQEA-UHFFFAOYSA-N 0 1 379.386 3.145 20 0 GGADMN N[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000237807486 1433424950 /nfs/dbraw/zinc/42/49/50/1433424950.db2.gz GAXNMFZJHKPIRT-SJLPKXTDSA-N 0 1 380.423 3.282 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1Cc2ccccc2CN1 ZINC000237813855 1433425551 /nfs/dbraw/zinc/42/55/51/1433425551.db2.gz GEULKTSFRLPUSR-HXUWFJFHSA-N 0 1 384.907 3.219 20 0 GGADMN N[C@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccccc1 ZINC000237828249 1433427105 /nfs/dbraw/zinc/42/71/05/1433427105.db2.gz YGDUDQFLZFATCA-IBGZPJMESA-N 0 1 378.501 3.340 20 0 GGADMN N[C@@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1 ZINC000237844597 1433428265 /nfs/dbraw/zinc/42/82/65/1433428265.db2.gz DGKVKKKCNVTXSE-UKRRQHHQSA-N 0 1 398.816 3.149 20 0 GGADMN [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000237883870 1433431482 /nfs/dbraw/zinc/43/14/82/1433431482.db2.gz QPZLVDLELWBPHA-OCCSQVGLSA-N 0 1 393.896 3.207 20 0 GGADMN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1NCCc2ccccc21 ZINC000237894157 1433432483 /nfs/dbraw/zinc/43/24/83/1433432483.db2.gz GWYKHHZLEIFDLX-SFHVURJKSA-N 0 1 378.394 3.269 20 0 GGADMN Cc1nc2n(n1)C[C@@H](NCc1c(C)nn(Cc3ccc(C)cc3)c1Cl)CC2 ZINC000237903454 1433433412 /nfs/dbraw/zinc/43/34/12/1433433412.db2.gz FLRYHOUXQTXHLO-KRWDZBQOSA-N 0 1 384.915 3.206 20 0 GGADMN Cc1ccc(N2CC[C@H](NCc3ccc(OC[C@@H]4CCCO4)cc3)C2=O)cc1 ZINC000237918142 1433434445 /nfs/dbraw/zinc/43/44/45/1433434445.db2.gz QTSNVFWHRQOBPF-VXKWHMMOSA-N 0 1 380.488 3.448 20 0 GGADMN Cc1cn2c(CNCc3cccc(NC(=O)[C@H]4CCCO4)c3)c(C)nc2s1 ZINC000237923513 1433434955 /nfs/dbraw/zinc/43/49/55/1433434955.db2.gz OHAVENMHCLWRMR-GOSISDBHSA-N 0 1 384.505 3.420 20 0 GGADMN O=C(CNCc1ccc(-n2cnc3ccccc32)cc1)NCCc1ccccc1 ZINC000237952088 1433436844 /nfs/dbraw/zinc/43/68/44/1433436844.db2.gz MXZRNLZTIGDLRS-UHFFFAOYSA-N 0 1 384.483 3.474 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000237993857 1433438507 /nfs/dbraw/zinc/43/85/07/1433438507.db2.gz DNKXFLLXKJQROE-LEWJYISDSA-N 0 1 384.907 3.327 20 0 GGADMN N[C@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1ccccc1 ZINC000238006598 1433439056 /nfs/dbraw/zinc/43/90/56/1433439056.db2.gz XKBMKUFZARMPBD-IRXDYDNUSA-N 0 1 375.266 3.049 20 0 GGADMN O=C([O-])CCCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000238009511 1433439275 /nfs/dbraw/zinc/43/92/75/1433439275.db2.gz CFVFNWQRSSFHBV-NRFANRHFSA-N 0 1 396.487 3.211 20 0 GGADMN O=C([C@H]1NCCc2ccccc21)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000238052572 1433441077 /nfs/dbraw/zinc/44/10/77/1433441077.db2.gz VZBMPLKWTOJVQP-MBSDFSHPSA-N 0 1 389.499 3.016 20 0 GGADMN O=C([C@@H]1NCCc2ccccc21)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000238051845 1433441149 /nfs/dbraw/zinc/44/11/49/1433441149.db2.gz VZBMPLKWTOJVQP-WZONZLPQSA-N 0 1 389.499 3.016 20 0 GGADMN O=C(NCCCc1nc(-c2ccncc2)cs1)[C@H]1NCCc2ccccc21 ZINC000238071362 1433441708 /nfs/dbraw/zinc/44/17/08/1433441708.db2.gz ORQVRXMTOUMJEN-FQEVSTJZSA-N 0 1 378.501 3.141 20 0 GGADMN O=C(Nc1cccc(NC(=O)[C@@H]2CNCCO2)c1)Nc1cccc2c1CCCC2 ZINC000238079447 1433442190 /nfs/dbraw/zinc/44/21/90/1433442190.db2.gz VJEKHNVWWGJTJW-FQEVSTJZSA-N 0 1 394.475 3.136 20 0 GGADMN C#CCCOc1ccc(CN[C@@H]2CCN(CCCc3ccccc3)C2=O)cc1 ZINC000238114864 1433443210 /nfs/dbraw/zinc/44/32/10/1433443210.db2.gz DBLMGRDVIDZKSR-HSZRJFAPSA-N 0 1 376.500 3.412 20 0 GGADMN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)[C@H]1Cc2ccccc2CN1 ZINC000238121432 1433443494 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/nfs/dbraw/zinc/50/99/45/1433509945.db2.gz MHKUWCGIDZFVRU-GXTWGEPZSA-N 0 1 396.520 3.498 20 0 GGADMN CO[C@H](C)c1cccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000245745368 1433510337 /nfs/dbraw/zinc/51/03/37/1433510337.db2.gz ADLCQHUNPQNMBD-MAODMQOUSA-N 0 1 383.492 3.151 20 0 GGADMN CCOCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245745508 1433510390 /nfs/dbraw/zinc/51/03/90/1433510390.db2.gz WPRBQZTYPLTCEA-XUWXXGDYSA-N 0 1 386.895 3.030 20 0 GGADMN CCOCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245745508 1433510393 /nfs/dbraw/zinc/51/03/93/1433510393.db2.gz WPRBQZTYPLTCEA-XUWXXGDYSA-N 0 1 386.895 3.030 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245751244 1433511344 /nfs/dbraw/zinc/51/13/44/1433511344.db2.gz YVTLCHYWBRWPCC-YZGWKJHDSA-N 0 1 384.524 3.432 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245751241 1433511441 /nfs/dbraw/zinc/51/14/41/1433511441.db2.gz YVTLCHYWBRWPCC-IHPCNDPISA-N 0 1 384.524 3.432 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245751238 1433511663 /nfs/dbraw/zinc/51/16/63/1433511663.db2.gz YVTLCHYWBRWPCC-HOJAQTOUSA-N 0 1 384.524 3.432 20 0 GGADMN CCOC(=O)C1(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000245754763 1433511934 /nfs/dbraw/zinc/51/19/34/1433511934.db2.gz YFYWIUGODUDHMM-PBHICJAKSA-N 0 1 396.890 3.322 20 0 GGADMN CCOC(=O)C1(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000245754770 1433511949 /nfs/dbraw/zinc/51/19/49/1433511949.db2.gz YFYWIUGODUDHMM-YOEHRIQHSA-N 0 1 396.890 3.322 20 0 GGADMN CO[C@@H]1CCCN(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245758125 1433512845 /nfs/dbraw/zinc/51/28/45/1433512845.db2.gz YURZYIXRVGRIMS-RKVPGOIHSA-N 0 1 383.895 3.292 20 0 GGADMN CCOC(=O)CCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245762251 1433513231 /nfs/dbraw/zinc/51/32/31/1433513231.db2.gz ZQSOPPWWIVEWBQ-KSSFIOAISA-N 0 1 399.894 3.114 20 0 GGADMN 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ZINC000245808743 1433520871 /nfs/dbraw/zinc/52/08/71/1433520871.db2.gz BVLLPGULEIVNGX-DLBZAZTESA-N 0 1 395.890 3.253 20 0 GGADMN O=C(Cn1ccc2ccc(Cl)cc21)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245808792 1433520881 /nfs/dbraw/zinc/52/08/81/1433520881.db2.gz BWBMLPAOMPKIJR-VQTJNVASSA-N 0 1 397.906 3.046 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1occc1-c1ccc(F)cc1 ZINC000245804600 1433520885 /nfs/dbraw/zinc/52/08/85/1433520885.db2.gz BHNVKDPVIWEDRX-PMACEKPBSA-N 0 1 394.446 3.451 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000245827486 1433522953 /nfs/dbraw/zinc/52/29/53/1433522953.db2.gz FUSUIIWGTVQZQD-ZWKOTPCHSA-N 0 1 378.394 3.071 20 0 GGADMN O=C(CSc1ccc(Cl)cc1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245834456 1433523586 /nfs/dbraw/zinc/52/35/86/1433523586.db2.gz GUOHGNBXHHZAIW-ROUUACIJSA-N 0 1 390.936 3.184 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2cccc(SC)c2)CCN1CCOC ZINC000245846510 1433525358 /nfs/dbraw/zinc/52/53/58/1433525358.db2.gz CFKORHSMYZKZBE-AEFFLSMTSA-N 0 1 379.570 3.168 20 0 GGADMN C[C@]1(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CCCc2ccccc21 ZINC000245849333 1433526046 /nfs/dbraw/zinc/52/60/46/1433526046.db2.gz IZXQHRPSYYSWIR-LGVFNWMJSA-N 0 1 378.516 3.032 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000245848196 1433526142 /nfs/dbraw/zinc/52/61/42/1433526142.db2.gz IVRAQIUYSRKILI-DZFGPLHGSA-N 0 1 397.519 3.081 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847143 1433526361 /nfs/dbraw/zinc/52/63/61/1433526361.db2.gz JOPYRRUWDHRENY-WMZHIEFXSA-N 0 1 395.547 3.217 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCN1CCOC ZINC000245852623 1433526648 /nfs/dbraw/zinc/52/66/48/1433526648.db2.gz DAGAQEQQMXAVEZ-FXAWDEMLSA-N 0 1 395.613 3.384 20 0 GGADMN C[C@H](CCc1ccccc1F)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245855637 1433527893 /nfs/dbraw/zinc/52/78/93/1433527893.db2.gz JZQOZSSMEOOWRM-DUXKGJEZSA-N 0 1 384.495 3.146 20 0 GGADMN CCN(C)[C@H](C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245866217 1433529471 /nfs/dbraw/zinc/52/94/71/1433529471.db2.gz UAVNDTOECXLKQE-MJGOQNOKSA-N 0 1 389.540 3.443 20 0 GGADMN CCCOc1ccc(CNC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245866797 1433529594 /nfs/dbraw/zinc/52/95/94/1433529594.db2.gz LLMRQGBCXWMWRL-AZUAARDMSA-N 0 1 392.565 3.078 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000245863181 1433529818 /nfs/dbraw/zinc/52/98/18/1433529818.db2.gz LCBOMAKLOIIBSN-JKSUJKDBSA-N 0 1 378.394 3.071 20 0 GGADMN C[C@@]1(O)CCCN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000245880735 1433533395 /nfs/dbraw/zinc/53/33/95/1433533395.db2.gz IBHPGEIVGFEGHA-HYBUGGRVSA-N 0 1 391.515 3.263 20 0 GGADMN C[C@@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C[C@H]1C ZINC000245887526 1433534721 /nfs/dbraw/zinc/53/47/21/1433534721.db2.gz JANMOELYEMCIOV-CHWSQXEVSA-N 0 1 381.402 3.203 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000245889555 1433534968 /nfs/dbraw/zinc/53/49/68/1433534968.db2.gz PNKRUSDHRPDKQK-HKUYNNGSSA-N 0 1 375.513 3.357 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000245892259 1433535586 /nfs/dbraw/zinc/53/55/86/1433535586.db2.gz RVNIHRKZKGQRDK-TZLLFPAYSA-N 0 1 397.563 3.290 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000245892238 1433535975 /nfs/dbraw/zinc/53/59/75/1433535975.db2.gz RVNIHRKZKGQRDK-MBXLBGHASA-N 0 1 397.563 3.290 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245899042 1433536950 /nfs/dbraw/zinc/53/69/50/1433536950.db2.gz TUNFZJLOCNPJAL-RYLXDESZSA-N 0 1 383.536 3.036 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000245898120 1433537374 /nfs/dbraw/zinc/53/73/74/1433537374.db2.gz PNMPKAALGKNUFG-XSDIEEQYSA-N 0 1 384.907 3.195 20 0 GGADMN O=C(CCCc1ccc(F)c(F)c1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245900803 1433538309 /nfs/dbraw/zinc/53/83/09/1433538309.db2.gz PZBUIVJFXIFJHH-OALUTQOASA-N 0 1 388.458 3.039 20 0 GGADMN O=C(Cc1c[nH]c2cc(Cl)ccc12)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245906504 1433538756 /nfs/dbraw/zinc/53/87/56/1433538756.db2.gz QSVDOVZRNVNDSP-OALUTQOASA-N 0 1 397.906 3.115 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@@H]1CCc2c1cccc2Cl ZINC000245905102 1433539024 /nfs/dbraw/zinc/53/90/24/1433539024.db2.gz QNRYXTFLFHWVHB-CSODHUTKSA-N 0 1 399.922 3.262 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)C2)CC1 ZINC000245906761 1433539278 /nfs/dbraw/zinc/53/92/78/1433539278.db2.gz IFLYUZVGTCWSDI-BPQIPLTHSA-N 0 1 396.362 3.335 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000245910775 1433539962 /nfs/dbraw/zinc/53/99/62/1433539962.db2.gz RDUHWUKPYXVROP-XEYPJELSSA-N 0 1 384.907 3.195 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2NC1=O ZINC000245909062 1433540150 /nfs/dbraw/zinc/54/01/50/1433540150.db2.gz UWJWHTLVIJULRN-FDQIELQPSA-N 0 1 387.524 3.340 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)[C@H]3CCCC[C@H]3C)ccc2NC1=O ZINC000245908737 1433540257 /nfs/dbraw/zinc/54/02/57/1433540257.db2.gz UQJAQRDVUUKOHL-PDWMJMLSSA-N 0 1 387.524 3.484 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CCN1CCOC ZINC000245914992 1433541208 /nfs/dbraw/zinc/54/12/08/1433541208.db2.gz NAPOUBRVGXMKBN-XQBPLPMBSA-N 0 1 389.584 3.247 20 0 GGADMN CC(C)(C)O[C@H](C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1 ZINC000245913671 1433541548 /nfs/dbraw/zinc/54/15/48/1433541548.db2.gz RPHGVVKFLVUSCF-BDTNDASRSA-N 0 1 396.531 3.294 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@H](c1ccccc1)C1CC1 ZINC000245915084 1433541560 /nfs/dbraw/zinc/54/15/60/1433541560.db2.gz RSZBOIPLKHERQA-BHDDXSALSA-N 0 1 379.504 3.072 20 0 GGADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245917755 1433542124 /nfs/dbraw/zinc/54/21/24/1433542124.db2.gz WIJIBBBJWPOWSK-PZJWPPBQSA-N 0 1 397.563 3.289 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000245917882 1433542311 /nfs/dbraw/zinc/54/23/11/1433542311.db2.gz SDWAMUABLZVWHE-HOTGVXAUSA-N 0 1 377.847 3.236 20 0 GGADMN Cc1cccnc1[C@H](NC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C(C)C ZINC000245920588 1433543085 /nfs/dbraw/zinc/54/30/85/1433543085.db2.gz SMCGFGQKTMHJQJ-NJDAHSKKSA-N 0 1 396.535 3.022 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2nc3ccccc3s2)CCN1CCOC ZINC000245922811 1433543342 /nfs/dbraw/zinc/54/33/42/1433543342.db2.gz OBRDWYXUGQNOSM-HZPDHXFCSA-N 0 1 390.553 3.056 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2nc3ccccc3s2)CCN1CCOC ZINC000245922805 1433543494 /nfs/dbraw/zinc/54/34/94/1433543494.db2.gz OBRDWYXUGQNOSM-CVEARBPZSA-N 0 1 390.553 3.056 20 0 GGADMN CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000245921887 1433543700 /nfs/dbraw/zinc/54/37/00/1433543700.db2.gz XAJFBERZFOQUGA-BVSLBCMMSA-N 0 1 397.563 3.365 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000245927341 1433545085 /nfs/dbraw/zinc/54/50/85/1433545085.db2.gz UHLQAKBLTIKEIE-JZZBYWGLSA-N 0 1 381.520 3.113 20 0 GGADMN C#CCOc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000245930868 1433545754 /nfs/dbraw/zinc/54/57/54/1433545754.db2.gz VBOOMPGKISBGSS-VGSWGCGISA-N 0 1 377.488 3.321 20 0 GGADMN CC[C@H](NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(OC)cc1 ZINC000245931366 1433546002 /nfs/dbraw/zinc/54/60/02/1433546002.db2.gz UXEFZERSWLJDHI-VWPQPMDRSA-N 0 1 397.519 3.081 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCCC[C@H]1CCO ZINC000245931083 1433546343 /nfs/dbraw/zinc/54/63/43/1433546343.db2.gz SIAMYCHTMDEIPJ-MSOLQXFVSA-N 0 1 399.457 3.226 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000245933748 1433546895 /nfs/dbraw/zinc/54/68/95/1433546895.db2.gz VGXZXFBBPXEQMK-JKSUJKDBSA-N 0 1 396.384 3.210 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc2c(c1)OCCO2 ZINC000245935473 1433546973 /nfs/dbraw/zinc/54/69/73/1433546973.db2.gz 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CSc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1F ZINC000245967328 1433551874 /nfs/dbraw/zinc/55/18/74/1433551874.db2.gz VSBTWOCFKSWWED-HKUYNNGSSA-N 0 1 388.508 3.160 20 0 GGADMN C[C@H](O)C[N@H+]1CCN([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C[C@H]1C ZINC000245971424 1433552019 /nfs/dbraw/zinc/55/20/19/1433552019.db2.gz AQMXKYZNZJJOCC-AGIUHOORSA-N 0 1 399.322 3.491 20 0 GGADMN C[C@H](O)CN1CCN([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C[C@H]1C ZINC000245971424 1433552025 /nfs/dbraw/zinc/55/20/25/1433552025.db2.gz AQMXKYZNZJJOCC-AGIUHOORSA-N 0 1 399.322 3.491 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000245986170 1433553547 /nfs/dbraw/zinc/55/35/47/1433553547.db2.gz WEKMYOLOXSINHK-GOTSBHOMSA-N 0 1 393.531 3.042 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(Cl)c(F)c1 ZINC000245991746 1433554946 /nfs/dbraw/zinc/55/49/46/1433554946.db2.gz WZONGBZSGQTJCN-JKSUJKDBSA-N 0 1 377.847 3.236 20 0 GGADMN CC[C@H](C)Oc1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000246000171 1433555775 /nfs/dbraw/zinc/55/57/75/1433555775.db2.gz YBFMCOUDVBVFIT-DZFGPLHGSA-N 0 1 382.504 3.229 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(-c2ncco2)c1 ZINC000246003296 1433556260 /nfs/dbraw/zinc/55/62/60/1433556260.db2.gz YNKDXSJGGUGDIQ-VQTJNVASSA-N 0 1 392.459 3.099 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000246018133 1433558415 /nfs/dbraw/zinc/55/84/15/1433558415.db2.gz NILOXKYRWOMEAE-JENIJYKNSA-N 0 1 397.519 3.456 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC[C@H]2CCCO2)ccc1OCC(C)C ZINC000246038574 1433560453 /nfs/dbraw/zinc/56/04/53/1433560453.db2.gz NIWVUPSXIJUUAV-XYJFISCASA-N 0 1 378.513 3.064 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000246041222 1433560626 /nfs/dbraw/zinc/56/06/26/1433560626.db2.gz ALXBHYASRZQEIQ-IEBWSBKVSA-N 0 1 379.504 3.481 20 0 GGADMN C[C@H](NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1nccn1C ZINC000246044738 1433561333 /nfs/dbraw/zinc/56/13/33/1433561333.db2.gz ONTYNNSXFZSHCB-JKIFEVAISA-N 0 1 380.895 3.325 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CCN1CCOC ZINC000246057130 1433562483 /nfs/dbraw/zinc/56/24/83/1433562483.db2.gz XZGXVZSGPYPZDV-UNMCSNQZSA-N 0 1 393.547 3.072 20 0 GGADMN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246064081 1433563283 /nfs/dbraw/zinc/56/32/83/1433563283.db2.gz CZFKLKOJSZSYNG-PKOBYXMFSA-N 0 1 381.524 3.298 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccccn3)c2C1 ZINC000246064605 1433564007 /nfs/dbraw/zinc/56/40/07/1433564007.db2.gz BGIUXFSZDNYRDA-CVEARBPZSA-N 0 1 380.492 3.258 20 0 GGADMN C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246071516 1433564709 /nfs/dbraw/zinc/56/47/09/1433564709.db2.gz FFUBSZPSUNBMHD-IEBWSBKVSA-N 0 1 381.524 3.442 20 0 GGADMN C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246071516 1433564713 /nfs/dbraw/zinc/56/47/13/1433564713.db2.gz FFUBSZPSUNBMHD-IEBWSBKVSA-N 0 1 381.524 3.442 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@H]3CSCCS3)cc2)C[C@H](C)O1 ZINC000246077329 1433565393 /nfs/dbraw/zinc/56/53/93/1433565393.db2.gz GBALHHCDKFHEKZ-FCEWJHQRSA-N 0 1 394.606 3.151 20 0 GGADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246094837 1433567869 /nfs/dbraw/zinc/56/78/69/1433567869.db2.gz XELAHWNKYTVYQY-OTWHNJEPSA-N 0 1 388.556 3.293 20 0 GGADMN C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@H]1C ZINC000246102290 1433568822 /nfs/dbraw/zinc/56/88/22/1433568822.db2.gz NFYHCOLJBMSENZ-CVEARBPZSA-N 0 1 394.947 3.249 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@H]1C ZINC000246102290 1433568824 /nfs/dbraw/zinc/56/88/24/1433568824.db2.gz NFYHCOLJBMSENZ-CVEARBPZSA-N 0 1 394.947 3.249 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H]3CCOC(C)(C)C3)cc2)C[C@H](C)O1 ZINC000246108073 1433570052 /nfs/dbraw/zinc/57/00/52/1433570052.db2.gz NFEQKGUCVQNJHG-QKLQHJQFSA-N 0 1 389.540 3.053 20 0 GGADMN CCN(C[C@H]1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C1)CC(F)(F)F ZINC000246110040 1433570385 /nfs/dbraw/zinc/57/03/85/1433570385.db2.gz BYRCKKFMSXXLSJ-AEFFLSMTSA-N 0 1 383.458 3.306 20 0 GGADMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246113081 1433570617 /nfs/dbraw/zinc/57/06/17/1433570617.db2.gz JUCUOWUARUBIPF-TWARZNRNSA-N 0 1 382.552 3.289 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cccs1 ZINC000246128275 1433572403 /nfs/dbraw/zinc/57/24/03/1433572403.db2.gz BCQIWIXGZBJPAD-SOUVJXGZSA-N 0 1 381.542 3.160 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000246142167 1433574044 /nfs/dbraw/zinc/57/40/44/1433574044.db2.gz DKEKQKIIZWLYFN-OKZBNKHCSA-N 0 1 393.503 3.238 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(N4CCCC[C@H]4C)cc3C)CCO2)n[nH]1 ZINC000246144707 1433574379 /nfs/dbraw/zinc/57/43/79/1433574379.db2.gz YEXVTATXJZSVDT-DNVCBOLYSA-N 0 1 398.511 3.406 20 0 GGADMN CCOC[C@H]1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)C1 ZINC000246173102 1433577799 /nfs/dbraw/zinc/57/77/99/1433577799.db2.gz JKNMCLXMYWSXQP-JTSKRJEESA-N 0 1 390.524 3.020 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000246175954 1433578162 /nfs/dbraw/zinc/57/81/62/1433578162.db2.gz QOVQLBAOQCWSTB-SJLPKXTDSA-N 0 1 387.503 3.225 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000246175954 1433578166 /nfs/dbraw/zinc/57/81/66/1433578166.db2.gz QOVQLBAOQCWSTB-SJLPKXTDSA-N 0 1 387.503 3.225 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000246191098 1433579990 /nfs/dbraw/zinc/57/99/90/1433579990.db2.gz MKMRWOIRAJFIQN-MDOVXXIYSA-N 0 1 393.487 3.425 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000246195302 1433580531 /nfs/dbraw/zinc/58/05/31/1433580531.db2.gz MVJOYHNRTLMPSV-OKZBNKHCSA-N 0 1 393.503 3.238 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000246195262 1433580610 /nfs/dbraw/zinc/58/06/10/1433580610.db2.gz MVJOYHNRTLMPSV-FGTMMUONSA-N 0 1 393.503 3.238 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246203872 1433581719 /nfs/dbraw/zinc/58/17/19/1433581719.db2.gz DVPSEGSIVQWFQM-ONCXSQPRSA-N 0 1 387.524 3.454 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000246210013 1433582137 /nfs/dbraw/zinc/58/21/37/1433582137.db2.gz NRZHMHYZYZOWSJ-UHOSZYNNSA-N 0 1 385.464 3.263 20 0 GGADMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000246210003 1433582205 /nfs/dbraw/zinc/58/22/05/1433582205.db2.gz NRZHMHYZYZOWSJ-QRQLOZEOSA-N 0 1 385.464 3.263 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000246215036 1433582542 /nfs/dbraw/zinc/58/25/42/1433582542.db2.gz XSBBFLNFWUFRHT-KURKYZTESA-N 0 1 384.442 3.282 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCc2cn(C)c3ccccc23)C[C@H](C)O1 ZINC000246215367 1433583006 /nfs/dbraw/zinc/58/30/06/1433583006.db2.gz UDMIMZABGLRHLX-WSTZPKSXSA-N 0 1 383.536 3.211 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1)c1ccccc1 ZINC000246218124 1433583086 /nfs/dbraw/zinc/58/30/86/1433583086.db2.gz OPVORHMFKCTZLJ-FUHWJXTLSA-N 0 1 385.474 3.412 20 0 GGADMN CC1(C)CN(C[C@H](O)c2ccc(F)cc2)CC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000246218574 1433583176 /nfs/dbraw/zinc/58/31/76/1433583176.db2.gz OSJJZQYLOBHXLB-LEWJYISDSA-N 0 1 390.474 3.128 20 0 GGADMN CCOCCO[C@H]1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000246223752 1433583886 /nfs/dbraw/zinc/58/38/86/1433583886.db2.gz DSVDGIUWSURMLI-FGSXEWAUSA-N 0 1 388.552 3.259 20 0 GGADMN COc1ccccc1N1CC[C@H](N2CC[C@@H](COCc3ccccc3)C2)C1=O ZINC000246232644 1433584858 /nfs/dbraw/zinc/58/48/58/1433584858.db2.gz MVFIHNKQZNFIIV-CTNGQTDRSA-N 0 1 380.488 3.339 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000246235302 1433585179 /nfs/dbraw/zinc/58/51/79/1433585179.db2.gz FZRVAYVPUWJYEO-KNQAVFIVSA-N 0 1 379.504 3.475 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCOC(C)(C)C3)c2C1 ZINC000246236502 1433585244 /nfs/dbraw/zinc/58/52/44/1433585244.db2.gz XBFKTYIASNDREM-WBVHZDCISA-N 0 1 387.524 3.059 20 0 GGADMN CCCO[C@H]1CCCN([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000246239503 1433585466 /nfs/dbraw/zinc/58/54/66/1433585466.db2.gz RHRJBYRURDYVCM-PXNSSMCTSA-N 0 1 376.497 3.090 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)n1 ZINC000246243845 1433585728 /nfs/dbraw/zinc/58/57/28/1433585728.db2.gz VBIDKVYGWIGEAJ-LPHOPBHVSA-N 0 1 387.915 3.066 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3OCCc4ccccc43)cc2)C[C@@H](C)O1 ZINC000246262110 1433587365 /nfs/dbraw/zinc/58/73/65/1433587365.db2.gz LHVYNQLFZXPHGS-PMAPCBKXSA-N 0 1 394.515 3.226 20 0 GGADMN CCN(C[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1)CC(F)(F)F ZINC000246268099 1433588110 /nfs/dbraw/zinc/58/81/10/1433588110.db2.gz VNGWZXBFYMWBMW-OXQOHEQNSA-N 0 1 397.485 3.460 20 0 GGADMN CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000246269930 1433588296 /nfs/dbraw/zinc/58/82/96/1433588296.db2.gz ATESBEDIKXECIK-IAGOWNOFSA-N 0 1 376.497 3.327 20 0 GGADMN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)C1=O ZINC000246275242 1433588557 /nfs/dbraw/zinc/58/85/57/1433588557.db2.gz BAJNPTGYXQMKEI-KVSKMBFKSA-N 0 1 378.488 3.434 20 0 GGADMN CNC(=O)c1cccc(CN2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000246290994 1433590528 /nfs/dbraw/zinc/59/05/28/1433590528.db2.gz XWIMNRZFRYLQPG-YJBOKZPZSA-N 0 1 375.513 3.171 20 0 GGADMN CCN(C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1)CC(F)(F)F ZINC000246293968 1433590774 /nfs/dbraw/zinc/59/07/74/1433590774.db2.gz YBDPYCIZTBZCSX-OLZOCXBDSA-N 0 1 393.400 3.498 20 0 GGADMN O=C1[C@@H](N(Cc2ccccc2)C[C@@H](O)c2cccs2)CCN1CC(F)(F)F ZINC000246295193 1433591378 /nfs/dbraw/zinc/59/13/78/1433591378.db2.gz UVIMSUBMQCOTGF-JKSUJKDBSA-N 0 1 398.450 3.447 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C[N@H+]1C1CC1 ZINC000246299946 1433591523 /nfs/dbraw/zinc/59/15/23/1433591523.db2.gz BCLASDXIIONJDK-MJCKAROISA-N 0 1 391.924 3.010 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CN1C1CC1 ZINC000246299946 1433591524 /nfs/dbraw/zinc/59/15/24/1433591524.db2.gz BCLASDXIIONJDK-MJCKAROISA-N 0 1 391.924 3.010 20 0 GGADMN COc1ccc(NC(=O)[C@H](N[C@H](C)CO[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000246315122 1433593501 /nfs/dbraw/zinc/59/35/01/1433593501.db2.gz MPKIMTFQGSKWAG-MAODMQOUSA-N 0 1 384.476 3.159 20 0 GGADMN COc1ccc(NC(=O)[C@H](N[C@@H](C)CO[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000246315174 1433593513 /nfs/dbraw/zinc/59/35/13/1433593513.db2.gz MPKIMTFQGSKWAG-ZLGUVYLKSA-N 0 1 384.476 3.159 20 0 GGADMN C/C=C/c1ccc(OC[C@H](O)CN2CCc3ccccc3[C@H]2CO)c(OC)c1 ZINC000246325626 1433595289 /nfs/dbraw/zinc/59/52/89/1433595289.db2.gz FZXKSABLVVMNAD-ZAZDGKQKSA-N 0 1 383.488 3.060 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000246328920 1433595666 /nfs/dbraw/zinc/59/56/66/1433595666.db2.gz JOKOHBXOKOEEIC-IXDOHACOSA-N 0 1 396.362 3.335 20 0 GGADMN C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000246337058 1433596564 /nfs/dbraw/zinc/59/65/64/1433596564.db2.gz HJTSMCQFGWTDCQ-FUHWJXTLSA-N 0 1 387.373 3.250 20 0 GGADMN O=C([C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCCCC1 ZINC000246342781 1433597918 /nfs/dbraw/zinc/59/79/18/1433597918.db2.gz UZUBZFLTTWESGA-WPYKKVEZSA-N 0 1 395.547 3.216 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000246350140 1433598995 /nfs/dbraw/zinc/59/89/95/1433598995.db2.gz WUPJWMJDPCOYRT-QFBILLFUSA-N 0 1 380.916 3.246 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C[C@@H]1C ZINC000246373739 1433602525 /nfs/dbraw/zinc/60/25/25/1433602525.db2.gz AJBLOCVPWWPUPL-IRXDYDNUSA-N 0 1 375.513 3.065 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000246374700 1433602853 /nfs/dbraw/zinc/60/28/53/1433602853.db2.gz OFUWDAHTVJBJBV-UZLBHIALSA-N 0 1 392.503 3.263 20 0 GGADMN C[C@H](Sc1ccccn1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246385720 1433604851 /nfs/dbraw/zinc/60/48/51/1433604851.db2.gz RZPUIHOVKOBYPN-KSZLIROESA-N 0 1 399.560 3.488 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[C@@H](OCCC(C)C)C2)cc1F ZINC000246396812 1433606657 /nfs/dbraw/zinc/60/66/57/1433606657.db2.gz JERHEQRMSRVDLP-SJLPKXTDSA-N 0 1 380.504 3.318 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000246397513 1433606661 /nfs/dbraw/zinc/60/66/61/1433606661.db2.gz PTIJDVBCFDNBLT-QRWLVFNGSA-N 0 1 380.492 3.016 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C[C@H]1CCC[C@H]1O ZINC000246397901 1433607012 /nfs/dbraw/zinc/60/70/12/1433607012.db2.gz HSLXXCGMKKSNBQ-DJIMGWMZSA-N 0 1 387.505 3.112 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000246411059 1433608643 /nfs/dbraw/zinc/60/86/43/1433608643.db2.gz RHSQFZBRBPOWON-WAOWUJCRSA-N 0 1 386.536 3.403 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000246411046 1433608760 /nfs/dbraw/zinc/60/87/60/1433608760.db2.gz RHSQFZBRBPOWON-DBXWQHBBSA-N 0 1 386.536 3.403 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)N1CCc2ccccc2C1 ZINC000246414713 1433609196 /nfs/dbraw/zinc/60/91/96/1433609196.db2.gz CGIJQFXMQJHZNF-JRGCBEDISA-N 0 1 397.519 3.324 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc2NC1=O ZINC000246420895 1433609891 /nfs/dbraw/zinc/60/98/91/1433609891.db2.gz SMEMUZVHYZDBTH-DAYGRLMNSA-N 0 1 375.513 3.481 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1csc(-c2ccoc2)n1 ZINC000246420936 1433610078 /nfs/dbraw/zinc/61/00/78/1433610078.db2.gz AMONSHWURQXZSE-AEFFLSMTSA-N 0 1 397.500 3.016 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)N1CCCCCC1 ZINC000246421292 1433610435 /nfs/dbraw/zinc/61/04/35/1433610435.db2.gz SZCZQOOLPHBKTI-KURKYZTESA-N 0 1 387.524 3.139 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000246431708 1433612179 /nfs/dbraw/zinc/61/21/79/1433612179.db2.gz NFACZCSBFAXEMW-BZSNNMDCSA-N 0 1 388.531 3.470 20 0 GGADMN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(F)c1 ZINC000246436461 1433612677 /nfs/dbraw/zinc/61/26/77/1433612677.db2.gz BFVUWSUOAWBNQU-AGHHOFFYSA-N 0 1 384.495 3.319 20 0 GGADMN O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)NCC1(c2ccccc2)CC1 ZINC000246445846 1433613958 /nfs/dbraw/zinc/61/39/58/1433613958.db2.gz DXGFPQCAGMRMOT-RBUKOAKNSA-N 0 1 384.545 3.484 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@@H](O)c1cccs1)NCC1(c2ccccc2)CC1 ZINC000246445846 1433613961 /nfs/dbraw/zinc/61/39/61/1433613961.db2.gz DXGFPQCAGMRMOT-RBUKOAKNSA-N 0 1 384.545 3.484 20 0 GGADMN CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000246445457 1433614059 /nfs/dbraw/zinc/61/40/59/1433614059.db2.gz ODFUGHUYSXFBKK-RJGXRXQPSA-N 0 1 396.531 3.062 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000246445457 1433614062 /nfs/dbraw/zinc/61/40/62/1433614062.db2.gz ODFUGHUYSXFBKK-RJGXRXQPSA-N 0 1 396.531 3.062 20 0 GGADMN O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)NCC1(c2ccccc2)CC1 ZINC000246445865 1433614241 /nfs/dbraw/zinc/61/42/41/1433614241.db2.gz DXGFPQCAGMRMOT-RTBURBONSA-N 0 1 384.545 3.484 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@@H](O)c1cccs1)NCC1(c2ccccc2)CC1 ZINC000246445865 1433614246 /nfs/dbraw/zinc/61/42/46/1433614246.db2.gz DXGFPQCAGMRMOT-RTBURBONSA-N 0 1 384.545 3.484 20 0 GGADMN COc1cccc(CNC(=O)CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000246453160 1433614879 /nfs/dbraw/zinc/61/48/79/1433614879.db2.gz FADZZGXACXBIPR-PZJWPPBQSA-N 0 1 386.467 3.039 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C[C@@H]1CCC[C@H]1O ZINC000246459820 1433615536 /nfs/dbraw/zinc/61/55/36/1433615536.db2.gz JDLZALZSCUXTLT-USXIJHARSA-N 0 1 387.505 3.112 20 0 GGADMN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C[C@H]1CCC[C@@H]1O ZINC000246459777 1433615625 /nfs/dbraw/zinc/61/56/25/1433615625.db2.gz JDLZALZSCUXTLT-OIISXLGYSA-N 0 1 387.505 3.112 20 0 GGADMN COc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000246457988 1433615697 /nfs/dbraw/zinc/61/56/97/1433615697.db2.gz CFLYMERRKPGCAN-FXAWDEMLSA-N 0 1 397.519 3.285 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246461771 1433616079 /nfs/dbraw/zinc/61/60/79/1433616079.db2.gz FLZJLYLRKVMEMU-VQTJNVASSA-N 0 1 386.467 3.039 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@H]2C1)NCc1ccc(COc2ccccc2)cc1 ZINC000246460979 1433616093 /nfs/dbraw/zinc/61/60/93/1433616093.db2.gz CIHGKIPLWXTDKG-GMAHTHKFSA-N 0 1 394.515 3.383 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H](O)C2)N2CCCCC2)cc1 ZINC000246462093 1433616121 /nfs/dbraw/zinc/61/61/21/1433616121.db2.gz VBFUKZZONNTTQT-DSKINZAPSA-N 0 1 389.540 3.073 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000246463984 1433616579 /nfs/dbraw/zinc/61/65/79/1433616579.db2.gz JGPFPHLCGJNSLI-KNQAVFIVSA-N 0 1 399.579 3.448 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246465846 1433616640 /nfs/dbraw/zinc/61/66/40/1433616640.db2.gz OGMHFMPZSPRLTH-VQIMIIECSA-N 0 1 390.915 3.402 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc2cc(F)ccc2o1 ZINC000246473370 1433618076 /nfs/dbraw/zinc/61/80/76/1433618076.db2.gz CWTRVROHNVLHOE-LPHOPBHVSA-N 0 1 382.435 3.185 20 0 GGADMN CN(CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)C[C@@H]1CCOC1 ZINC000246475155 1433618468 /nfs/dbraw/zinc/61/84/68/1433618468.db2.gz XCPHZLMZPFSYOM-HRAATJIYSA-N 0 1 392.927 3.105 20 0 GGADMN CO[C@H](CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000246482404 1433619495 /nfs/dbraw/zinc/61/94/95/1433619495.db2.gz VUMNEVMKIGAWBY-FUHIMQAGSA-N 0 1 391.556 3.156 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000246484512 1433619542 /nfs/dbraw/zinc/61/95/42/1433619542.db2.gz RWSDBALBFVBPMC-WFXMLNOXSA-N 0 1 389.540 3.006 20 0 GGADMN CO[C@H](CNC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)C(C)(C)C ZINC000246482383 1433619545 /nfs/dbraw/zinc/61/95/45/1433619545.db2.gz VUMNEVMKIGAWBY-ABSDTBQOSA-N 0 1 391.556 3.156 20 0 GGADMN COc1cc(N[C@@H]2CCCN([C@H](C(=O)N(C)C)c3ccccc3)C2)cc(OC)c1 ZINC000246481938 1433619565 /nfs/dbraw/zinc/61/95/65/1433619565.db2.gz DFXIYHJSFZKUNV-GCJKJVERSA-N 0 1 397.519 3.410 20 0 GGADMN CCC[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000246487246 1433619740 /nfs/dbraw/zinc/61/97/40/1433619740.db2.gz ICFFQAYPLIMWEU-MSOLQXFVSA-N 0 1 384.524 3.324 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@@H](CO)C(C)(C)C ZINC000246486605 1433619807 /nfs/dbraw/zinc/61/98/07/1433619807.db2.gz GVRDSSGJBYHFAB-QAPCUYQASA-N 0 1 389.521 3.358 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000246488606 1433620109 /nfs/dbraw/zinc/62/01/09/1433620109.db2.gz GZQNJYXDRMQPEF-PKOBYXMFSA-N 0 1 389.540 3.236 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000246488595 1433620135 /nfs/dbraw/zinc/62/01/35/1433620135.db2.gz GZQNJYXDRMQPEF-HKUYNNGSSA-N 0 1 389.540 3.236 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccco1 ZINC000246497991 1433621632 /nfs/dbraw/zinc/62/16/32/1433621632.db2.gz BMSORKBSBFXBLC-MDZRGWNJSA-N 0 1 381.542 3.016 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000246501668 1433622197 /nfs/dbraw/zinc/62/21/97/1433622197.db2.gz NFJKOCNBKSEGPN-XDBZFTIUSA-N 0 1 399.560 3.230 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000246503524 1433622629 /nfs/dbraw/zinc/62/26/29/1433622629.db2.gz BIRCUVSHXZDCTP-QLFBSQMISA-N 0 1 387.446 3.073 20 0 GGADMN C[C@H](C(=O)NCc1cccs1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246512630 1433623746 /nfs/dbraw/zinc/62/37/46/1433623746.db2.gz IHWLIVKNDDXDEV-LJHODMEESA-N 0 1 376.497 3.480 20 0 GGADMN CS[C@@H]1CCCCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000246519178 1433624359 /nfs/dbraw/zinc/62/43/59/1433624359.db2.gz IQYOGOSKBKIEMD-ABSDTBQOSA-N 0 1 391.581 3.456 20 0 GGADMN O=C(CN1CCC[C@@H](Nc2ccccc2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246520985 1433624590 /nfs/dbraw/zinc/62/45/90/1433624590.db2.gz FSGAOVZNFBHUME-FGZHOGPDSA-N 0 1 397.494 3.302 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000246522430 1433624969 /nfs/dbraw/zinc/62/49/69/1433624969.db2.gz VUFXPVGOXMLQHL-PUHATCMVSA-N 0 1 396.531 3.062 20 0 GGADMN COC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000246524857 1433625330 /nfs/dbraw/zinc/62/53/30/1433625330.db2.gz PJEXBFLFIKVSOC-SBUREZEXSA-N 0 1 380.488 3.489 20 0 GGADMN CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246528770 1433625811 /nfs/dbraw/zinc/62/58/11/1433625811.db2.gz JGFMLVHCTRULIY-PKOBYXMFSA-N 0 1 376.497 3.434 20 0 GGADMN CN(Cc1cccs1)C(=O)CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246528770 1433625814 /nfs/dbraw/zinc/62/58/14/1433625814.db2.gz JGFMLVHCTRULIY-PKOBYXMFSA-N 0 1 376.497 3.434 20 0 GGADMN Cn1cc(N2CCC[C@H](N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)C2=O)cn1 ZINC000246541355 1433627937 /nfs/dbraw/zinc/62/79/37/1433627937.db2.gz GLAPHOAFBXFZOW-QAPCUYQASA-N 0 1 399.564 3.130 20 0 GGADMN O=C(CCN1CC(=O)N[C@@H]2CCCC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000246549242 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CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246770638 1433663251 /nfs/dbraw/zinc/66/32/51/1433663251.db2.gz PWTAFTAGBFQOFM-ULQDDVLXSA-N 0 1 391.531 3.348 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246772032 1433663646 /nfs/dbraw/zinc/66/36/46/1433663646.db2.gz QMSMNNNCXZNSKV-UWWQBHOKSA-N 0 1 395.341 3.297 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@@H]1SCCc2ccccc21 ZINC000246777171 1433664208 /nfs/dbraw/zinc/66/42/08/1433664208.db2.gz QQORXNJOBSWMKZ-CEMLEFRQSA-N 0 1 396.556 3.016 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246791648 1433667583 /nfs/dbraw/zinc/66/75/83/1433667583.db2.gz MOBVNGNAGASPCH-XLIONFOSSA-N 0 1 379.504 3.182 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246791648 1433667588 /nfs/dbraw/zinc/66/75/88/1433667588.db2.gz MOBVNGNAGASPCH-XLIONFOSSA-N 0 1 379.504 3.182 20 0 GGADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@]3(C)CCCS3)c2C1 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YGUIVJMCBGGDJU-KRWDZBQOSA-N 0 1 383.448 3.339 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2NC1=O ZINC000248093841 1433769371 /nfs/dbraw/zinc/76/93/71/1433769371.db2.gz CRHXTFNNPCXZLU-AWEZNQCLSA-N 0 1 396.516 3.123 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1N1CCCC1=O ZINC000248154783 1433775255 /nfs/dbraw/zinc/77/52/55/1433775255.db2.gz YIMSURJGZZQFFH-UHFFFAOYSA-N 0 1 398.843 3.415 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cc1 ZINC000248167700 1433776866 /nfs/dbraw/zinc/77/68/66/1433776866.db2.gz IHKRQLAANRICTK-XPWALMASSA-N 0 1 391.515 3.251 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2noc3ccccc23)N2CCCC2)c1 ZINC000248175725 1433778046 /nfs/dbraw/zinc/77/80/46/1433778046.db2.gz ADKXNZGBSBLZSM-FQEVSTJZSA-N 0 1 379.460 3.332 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)N(C)C)c1 ZINC000248186415 1433778486 /nfs/dbraw/zinc/77/84/86/1433778486.db2.gz HSEXVRRZSGZWCO-FGZHOGPDSA-N 0 1 398.503 3.286 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccccc2OC[C@@H]2CCCO2)N(C)C)c1 ZINC000248186433 1433778528 /nfs/dbraw/zinc/77/85/28/1433778528.db2.gz HUFAKQREBRIEGE-FPOVZHCZSA-N 0 1 398.503 3.286 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(-c3ccco3)n[nH]2)N2CCCC2)c1 ZINC000248255432 1433783208 /nfs/dbraw/zinc/78/32/08/1433783208.db2.gz RWGBQYYPBHQNEC-IBGZPJMESA-N 0 1 380.448 3.245 20 0 GGADMN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000248265065 1433783608 /nfs/dbraw/zinc/78/36/08/1433783608.db2.gz DGDCDMVBJNHAOZ-GOSISDBHSA-N 0 1 397.519 3.149 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000248269338 1433783985 /nfs/dbraw/zinc/78/39/85/1433783985.db2.gz YXDVJSZKMMTSJE-KURKYZTESA-N 0 1 384.442 3.282 20 0 GGADMN CCOC(=O)CN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000248323366 1433785193 /nfs/dbraw/zinc/78/51/93/1433785193.db2.gz XVOICQMFKQJCJY-NRFANRHFSA-N 0 1 380.488 3.290 20 0 GGADMN CCOC(=O)CN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000248323368 1433785847 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UTGYWFYZVSDIIM-ZGXWSNOMSA-N 0 1 385.552 3.021 20 0 GGADMN O=C(CN1CCC[C@@H](CO)C1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000248370119 1433788685 /nfs/dbraw/zinc/78/86/85/1433788685.db2.gz XBZMVYXVUKWJPD-WIYYLYMNSA-N 0 1 391.515 3.120 20 0 GGADMN COc1cc(NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ncn1 ZINC000248384834 1433791656 /nfs/dbraw/zinc/79/16/56/1433791656.db2.gz GDZDDAOKJNLHLO-SJKOYZFVSA-N 0 1 393.850 3.092 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000248387491 1433792510 /nfs/dbraw/zinc/79/25/10/1433792510.db2.gz BGMNDVPUZSVDEY-OXJNMPFZSA-N 0 1 394.475 3.285 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C[S@@](C)=O)CN1Cc1ccccc1 ZINC000248390033 1433793531 /nfs/dbraw/zinc/79/35/31/1433793531.db2.gz BLNZOVUMXRXIDW-OVBXVEMXSA-N 0 1 385.533 3.350 20 0 GGADMN COC(=O)c1ccc(Cl)c(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000248400078 1433797037 /nfs/dbraw/zinc/79/70/37/1433797037.db2.gz KMPDWUNXCQZPJR-KBXCAEBGSA-N 0 1 376.884 3.102 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)[C@@H]1COc2ccccc21 ZINC000248407557 1433799938 /nfs/dbraw/zinc/79/99/38/1433799938.db2.gz DGNGXHYMNMNPNG-LXZKKBNFSA-N 0 1 381.480 3.136 20 0 GGADMN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248414350 1433800933 /nfs/dbraw/zinc/80/09/33/1433800933.db2.gz MQPSEBHQHCLOGY-GUDVDZBRSA-N 0 1 395.507 3.491 20 0 GGADMN O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248423610 1433801688 /nfs/dbraw/zinc/80/16/88/1433801688.db2.gz ZJERKNPWFKOPHT-SJLPKXTDSA-N 0 1 394.523 3.098 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248428402 1433801818 /nfs/dbraw/zinc/80/18/18/1433801818.db2.gz PCKMEVVMGIMONU-FZKCQIBNSA-N 0 1 386.462 3.432 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CCN1Cc1ccccc1 ZINC000248431652 1433802187 /nfs/dbraw/zinc/80/21/87/1433802187.db2.gz UHHWKKXKUXQQOB-QUCCMNQESA-N 0 1 377.488 3.235 20 0 GGADMN 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CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000248755950 1433820287 /nfs/dbraw/zinc/82/02/87/1433820287.db2.gz IUYWDEJWERGKSZ-PBHICJAKSA-N 0 1 385.455 3.005 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnc(-c2ccccn2)s1 ZINC000248754994 1433820343 /nfs/dbraw/zinc/82/03/43/1433820343.db2.gz GBPWWKLIAWWONP-CRAIPNDOSA-N 0 1 378.501 3.455 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnc(-c2ccccn2)s1 ZINC000248754999 1433820366 /nfs/dbraw/zinc/82/03/66/1433820366.db2.gz GBPWWKLIAWWONP-MAUKXSAKSA-N 0 1 378.501 3.455 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000248761775 1433820733 /nfs/dbraw/zinc/82/07/33/1433820733.db2.gz GPYWEDUXRFMCCM-FZKQIMNGSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccc(Cl)cc1 ZINC000248768372 1433821356 /nfs/dbraw/zinc/82/13/56/1433821356.db2.gz PJLYBKOBLUTCIC-RLFYNMQTSA-N 0 1 391.943 3.144 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccc(Cl)cc1 ZINC000248768372 1433821357 /nfs/dbraw/zinc/82/13/57/1433821357.db2.gz PJLYBKOBLUTCIC-RLFYNMQTSA-N 0 1 391.943 3.144 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc2ccccc21 ZINC000248776533 1433822034 /nfs/dbraw/zinc/82/20/34/1433822034.db2.gz HQEBXPXWNXYRRM-HTAPYJJXSA-N 0 1 387.483 3.415 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccnc1 ZINC000248779683 1433822138 /nfs/dbraw/zinc/82/21/38/1433822138.db2.gz WFBUSHRQBAXJBP-FGTMMUONSA-N 0 1 382.508 3.251 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cc2)C[C@H](C)O1 ZINC000248787416 1433822679 /nfs/dbraw/zinc/82/26/79/1433822679.db2.gz ZBWJBIXVPYGXJE-MRTDBNBISA-N 0 1 398.547 3.307 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nc(Br)cs1 ZINC000248807242 1433823442 /nfs/dbraw/zinc/82/34/42/1433823442.db2.gz RMXPUBSGEPNOPG-WCQYABFASA-N 0 1 380.311 3.156 20 0 GGADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000248810699 1433823472 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ZINC000261734337 1433900583 /nfs/dbraw/zinc/90/05/83/1433900583.db2.gz MDDCHCOSSRRKCW-HXUWFJFHSA-N 0 1 377.492 3.361 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 ZINC000261734331 1433900769 /nfs/dbraw/zinc/90/07/69/1433900769.db2.gz MDDCHCOSSRRKCW-FQEVSTJZSA-N 0 1 377.492 3.361 20 0 GGADMN COc1ccc(CCC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1OC ZINC000261745435 1433900954 /nfs/dbraw/zinc/90/09/54/1433900954.db2.gz DPBRAMCZAKJTRJ-SFHVURJKSA-N 0 1 388.895 3.463 20 0 GGADMN COc1cc(NC(=O)C(C)(C)C)c(-c2nc(C3(N)CCCC3)no2)cc1OC ZINC000261742864 1433901306 /nfs/dbraw/zinc/90/13/06/1433901306.db2.gz LEWBUEIXLKMAMT-UHFFFAOYSA-N 0 1 388.468 3.466 20 0 GGADMN CN(Cc1ccccc1)C(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1 ZINC000261750995 1433901681 /nfs/dbraw/zinc/90/16/81/1433901681.db2.gz LSTRDXZDVZDQOA-UHFFFAOYSA-N 0 1 383.496 3.229 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000261766287 1433902479 /nfs/dbraw/zinc/90/24/79/1433902479.db2.gz OLAIXFRKZIJYON-JOCHJYFZSA-N 0 1 391.515 3.158 20 0 GGADMN COc1ccc2c(c1)C[C@@H](C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)CO2 ZINC000261779900 1433903403 /nfs/dbraw/zinc/90/34/03/1433903403.db2.gz GBLNFOORVWXFDE-VQIMIIECSA-N 0 1 386.879 3.073 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)cc2)n[nH]1 ZINC000261774509 1433903458 /nfs/dbraw/zinc/90/34/58/1433903458.db2.gz FVRZWCPHMDWGMM-SFHVURJKSA-N 0 1 381.867 3.220 20 0 GGADMN CO[C@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000261781455 1433903612 /nfs/dbraw/zinc/90/36/12/1433903612.db2.gz PHPYZOVZEQUVOP-AEFFLSMTSA-N 0 1 395.272 3.266 20 0 GGADMN CO[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000261781463 1433903754 /nfs/dbraw/zinc/90/37/54/1433903754.db2.gz PHPYZOVZEQUVOP-WMZOPIPTSA-N 0 1 395.272 3.266 20 0 GGADMN CC(=O)N(CCC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)Cc1ccccc1 ZINC000261793013 1433904176 /nfs/dbraw/zinc/90/41/76/1433904176.db2.gz NSEKQTMYEVYTCF-OAQYLSRUSA-N 0 1 399.922 3.252 20 0 GGADMN COc1cc(CCC(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc(OC)c1 ZINC000261809542 1433904942 /nfs/dbraw/zinc/90/49/42/1433904942.db2.gz OQKWOLWXCRXHRQ-HXUWFJFHSA-N 0 1 388.895 3.463 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)c1ccc(C)cc1 ZINC000261840273 1433906252 /nfs/dbraw/zinc/90/62/52/1433906252.db2.gz IRRPRIUMCBOTNS-SFTDATJTSA-N 0 1 399.922 3.389 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)c1ccc(C)cc1 ZINC000261840267 1433906327 /nfs/dbraw/zinc/90/63/27/1433906327.db2.gz IRRPRIUMCBOTNS-LEWJYISDSA-N 0 1 399.922 3.389 20 0 GGADMN Cc1cc(-c2nc(C3(N)CCC3)no2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000261847743 1433906931 /nfs/dbraw/zinc/90/69/31/1433906931.db2.gz SOMRSMWOKPGVDP-UHFFFAOYSA-N 0 1 384.480 3.083 20 0 GGADMN Cc1cccc(-n2cc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)nn2)c1 ZINC000261872777 1433908789 /nfs/dbraw/zinc/90/87/89/1433908789.db2.gz TVORXXQMOATUCF-LJQANCHMSA-N 0 1 381.867 3.016 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000261871874 1433909011 /nfs/dbraw/zinc/90/90/11/1433909011.db2.gz XMQLLMILIPKVGJ-OAQYLSRUSA-N 0 1 389.503 3.233 20 0 GGADMN CC(=O)N1CCc2cc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)ccc21 ZINC000261911219 1433911836 /nfs/dbraw/zinc/91/18/36/1433911836.db2.gz XPMVWGPONDVGAD-HXUWFJFHSA-N 0 1 383.879 3.036 20 0 GGADMN CC(=O)N1CCc2cc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)ccc21 ZINC000261911215 1433912094 /nfs/dbraw/zinc/91/20/94/1433912094.db2.gz XPMVWGPONDVGAD-FQEVSTJZSA-N 0 1 383.879 3.036 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CCN1 ZINC000261916452 1433912691 /nfs/dbraw/zinc/91/26/91/1433912691.db2.gz UMBWMKZDMAVUDP-UHFFFAOYSA-N 0 1 381.192 3.172 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(C)c(-c3nc(C4(N)CCC4)no3)c2)cc1 ZINC000261925642 1433913832 /nfs/dbraw/zinc/91/38/32/1433913832.db2.gz KZIWZUKINNWHFM-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN O=C(CCCNC(=O)c1ccsc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261960787 1433916583 /nfs/dbraw/zinc/91/65/83/1433916583.db2.gz KXKAWBHYZUMZRZ-KRWDZBQOSA-N 0 1 391.924 3.085 20 0 GGADMN O=C(CCCNC(=O)c1ccsc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261960789 1433916630 /nfs/dbraw/zinc/91/66/30/1433916630.db2.gz KXKAWBHYZUMZRZ-QGZVFWFLSA-N 0 1 391.924 3.085 20 0 GGADMN COc1cccc(CO[C@@H](C)C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261987816 1433919614 /nfs/dbraw/zinc/91/96/14/1433919614.db2.gz MOQGDJGZDUKICU-MGPUTAFESA-N 0 1 388.895 3.427 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000261985941 1433919793 /nfs/dbraw/zinc/91/97/93/1433919793.db2.gz ONDHBBBKKOGUNK-SFHVURJKSA-N 0 1 381.501 3.080 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000262010561 1433921793 /nfs/dbraw/zinc/92/17/93/1433921793.db2.gz QTQQGAQJBAZCOC-SFHVURJKSA-N 0 1 384.524 3.425 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)cc1 ZINC000262035501 1433923819 /nfs/dbraw/zinc/92/38/19/1433923819.db2.gz SUGLPVOXLYOXJO-JTSKRJEESA-N 0 1 380.488 3.392 20 0 GGADMN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262048173 1433924512 /nfs/dbraw/zinc/92/45/12/1433924512.db2.gz QTLDGLMYCQZFKU-IBGZPJMESA-N 0 1 398.894 3.005 20 0 GGADMN O=C(C[C@@H]1COCCN1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000262050045 1433924703 /nfs/dbraw/zinc/92/47/03/1433924703.db2.gz HIBAIEMKNFQLTC-CRAIPNDOSA-N 0 1 397.906 3.448 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000262058475 1433924941 /nfs/dbraw/zinc/92/49/41/1433924941.db2.gz VPHCVAFXAFTEPQ-SFHVURJKSA-N 0 1 396.516 3.466 20 0 GGADMN O=C(C[C@H]1COCCN1)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000262055082 1433924959 /nfs/dbraw/zinc/92/49/59/1433924959.db2.gz HUQAVQQSDQFWAJ-KRWDZBQOSA-N 0 1 376.403 3.196 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000262055084 1433925095 /nfs/dbraw/zinc/92/50/95/1433925095.db2.gz HUQAVQQSDQFWAJ-QGZVFWFLSA-N 0 1 376.403 3.196 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262076297 1433926104 /nfs/dbraw/zinc/92/61/04/1433926104.db2.gz DNPGXCYVIPTBNM-QHRIQVFBSA-N 0 1 380.872 3.171 20 0 GGADMN C[C@@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)NC(=O)C1CCCCC1 ZINC000262121092 1433927871 /nfs/dbraw/zinc/92/78/71/1433927871.db2.gz WHFRTOKNGPJFPR-KXBFYZLASA-N 0 1 391.943 3.288 20 0 GGADMN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262125128 1433928037 /nfs/dbraw/zinc/92/80/37/1433928037.db2.gz WLRCXASTISSYLW-FQEVSTJZSA-N 0 1 397.906 3.249 20 0 GGADMN O=C(C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000262133318 1433928144 /nfs/dbraw/zinc/92/81/44/1433928144.db2.gz KYTZXXHYSZBLFN-FDDCHVKYSA-N 0 1 394.471 3.391 20 0 GGADMN COC[C@@H](N)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000262171393 1433929533 /nfs/dbraw/zinc/92/95/33/1433929533.db2.gz ATYZBTYOXDFTGL-CQSZACIVSA-N 0 1 392.381 3.016 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc(C(F)(F)F)c3)no1)C2 ZINC000262178942 1433929732 /nfs/dbraw/zinc/92/97/32/1433929732.db2.gz PWNIASXHJXLCCG-SUMWQHHRSA-N 0 1 381.354 3.442 20 0 GGADMN COC[C@@H](N)C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C ZINC000262195770 1433930388 /nfs/dbraw/zinc/93/03/88/1433930388.db2.gz CQFYKLPJMCFGKB-OAHLLOKOSA-N 0 1 395.381 3.178 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262205024 1433930520 /nfs/dbraw/zinc/93/05/20/1433930520.db2.gz SQUWNTBIIUGDSP-NVGCLXPQSA-N 0 1 386.370 3.099 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262212260 1433930896 /nfs/dbraw/zinc/93/08/96/1433930896.db2.gz UICZJADKQCWJKR-VTHBDYCDSA-N 0 1 384.520 3.318 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2sc(-c3ncccn3)nc2C)cc1 ZINC000262222147 1433931132 /nfs/dbraw/zinc/93/11/32/1433931132.db2.gz MTEYGLPDPUQPMS-KRWDZBQOSA-N 0 1 393.516 3.258 20 0 GGADMN Cc1ccccc1-c1cc(NC(=O)C[C@@H]2COCCN2)n(Cc2ccccc2)n1 ZINC000262219560 1433931153 /nfs/dbraw/zinc/93/11/53/1433931153.db2.gz OZIBKJSMTOLMOX-LJQANCHMSA-N 0 1 390.487 3.224 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cccc(NC(=O)N(C)C)c2)cc1 ZINC000262217446 1433931319 /nfs/dbraw/zinc/93/13/19/1433931319.db2.gz MIWLLAHSMJNEHV-FQEVSTJZSA-N 0 1 380.492 3.129 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C2 ZINC000262228398 1433931483 /nfs/dbraw/zinc/93/14/83/1433931483.db2.gz WJWWTIBDZQNCLU-WMZHIEFXSA-N 0 1 378.472 3.407 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cccc(C(=O)N(C)CC)c2)cc1 ZINC000262237068 1433931783 /nfs/dbraw/zinc/93/17/83/1433931783.db2.gz OSYGIGQURGPHAF-OAQYLSRUSA-N 0 1 379.504 3.128 20 0 GGADMN CN(C(=O)c1ccc(NC(=O)C[C@@H]2COCCN2)cc1Cl)C1CCCCC1 ZINC000262275992 1433933474 /nfs/dbraw/zinc/93/34/74/1433933474.db2.gz WKKPMFPNYSSOPN-OAHLLOKOSA-N 0 1 393.915 3.062 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000262277347 1433933531 /nfs/dbraw/zinc/93/35/31/1433933531.db2.gz UASGZRQMBMAWMF-NRFANRHFSA-N 0 1 377.488 3.163 20 0 GGADMN Cc1cc([C@H](NC(=O)C[C@@H]2COCCN2)c2ccccc2Cl)ccc1F ZINC000262308714 1433934432 /nfs/dbraw/zinc/93/44/32/1433934432.db2.gz BOGUEOIAKJXBMR-QRWLVFNGSA-N 0 1 376.859 3.372 20 0 GGADMN O=C(C[C@H]1COCCN1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000262324832 1433935063 /nfs/dbraw/zinc/93/50/63/1433935063.db2.gz DEPCCCYIBLIPRN-HNNXBMFYSA-N 0 1 386.414 3.235 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000262331450 1433935291 /nfs/dbraw/zinc/93/52/91/1433935291.db2.gz FMTVXBUQEUFSDD-HOTGVXAUSA-N 0 1 387.505 3.122 20 0 GGADMN CSc1cccc([C@H](NC(=O)C[C@@H]2COCCN2)c2ccc(F)c(F)c2)c1 ZINC000262354300 1433936068 /nfs/dbraw/zinc/93/60/68/1433936068.db2.gz GPILVRKICGXSBT-QRWLVFNGSA-N 0 1 392.471 3.271 20 0 GGADMN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262361321 1433936430 /nfs/dbraw/zinc/93/64/30/1433936430.db2.gz KMNLKLJOPCATIE-SFHVURJKSA-N 0 1 387.842 3.151 20 0 GGADMN CN[C@H](C(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262441613 1433939079 /nfs/dbraw/zinc/93/90/79/1433939079.db2.gz VAFSJRTWBYXQKV-PBHICJAKSA-N 0 1 397.306 3.057 20 0 GGADMN CN[C@H](C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262441620 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Cc1ccc(-c2nnco2)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000266183860 1434309083 /nfs/dbraw/zinc/30/90/83/1434309083.db2.gz VNOJSGIUYKKQBH-UHFFFAOYSA-N 0 1 391.475 3.196 20 0 GGADMN COc1cccc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c1OC(F)F ZINC000266188647 1434309413 /nfs/dbraw/zinc/30/94/13/1434309413.db2.gz GWPLRRNXTDJVPA-UHFFFAOYSA-N 0 1 391.374 3.469 20 0 GGADMN COCCn1cc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cn1 ZINC000266193867 1434309839 /nfs/dbraw/zinc/30/98/39/1434309839.db2.gz JKXUAFDZTCPZLZ-KRWDZBQOSA-N 0 1 396.491 3.363 20 0 GGADMN COCCn1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000266195214 1434309856 /nfs/dbraw/zinc/30/98/56/1434309856.db2.gz JTKROJMIPWBDLT-UHFFFAOYSA-N 0 1 379.386 3.024 20 0 GGADMN CCCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266234844 1434312283 /nfs/dbraw/zinc/31/22/83/1434312283.db2.gz DWXMXIGTFNXBRO-UHFFFAOYSA-N 0 1 392.477 3.280 20 0 GGADMN CC(C)n1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 ZINC000266242133 1434312939 /nfs/dbraw/zinc/31/29/39/1434312939.db2.gz ZVFUPZQQVQIIJQ-IEBWSBKVSA-N 0 1 390.553 3.138 20 0 GGADMN CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)c1cccc(C)c1 ZINC000266283883 1434316185 /nfs/dbraw/zinc/31/61/85/1434316185.db2.gz WLNPXIRFGWVSCF-UHFFFAOYSA-N 0 1 392.477 3.050 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000266290571 1434316820 /nfs/dbraw/zinc/31/68/20/1434316820.db2.gz FDUQFXASZYYWTO-QHCPKHFHSA-N 0 1 393.531 3.371 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2)CC1 ZINC000266288695 1434316854 /nfs/dbraw/zinc/31/68/54/1434316854.db2.gz DOGQTRRKCJOTOU-UHFFFAOYSA-N 0 1 397.306 3.200 20 0 GGADMN COc1cc(C(=O)N[C@@H](C)CCC(C)(C)C)cc(NS(C)(=O)=O)c1OC ZINC000266314424 1434319459 /nfs/dbraw/zinc/31/94/59/1434319459.db2.gz OGENBSPUENVILN-LBPRGKRZSA-N 0 1 386.514 3.020 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CC3)cc2)CC1 ZINC000266317845 1434319580 /nfs/dbraw/zinc/31/95/80/1434319580.db2.gz PSKGWWNZXXPQDM-UHFFFAOYSA-N 0 1 397.494 3.122 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)[C@@H]2CCOC2)CC1 ZINC000266322887 1434320356 /nfs/dbraw/zinc/32/03/56/1434320356.db2.gz CLXQWKOPXXLRKM-HUUCEWRRSA-N 0 1 380.920 3.028 20 0 GGADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266331967 1434321318 /nfs/dbraw/zinc/32/13/18/1434321318.db2.gz SGRJGJUQXAYUJC-CZUORRHYSA-N 0 1 398.525 3.116 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cncc4ccccc43)cc2)CC1 ZINC000266331905 1434321416 /nfs/dbraw/zinc/32/14/16/1434321416.db2.gz VDUVZYXHYBLVCC-UHFFFAOYSA-N 0 1 390.487 3.113 20 0 GGADMN C[C@H]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)CCN1Cc1ccccc1 ZINC000266364782 1434325301 /nfs/dbraw/zinc/32/53/01/1434325301.db2.gz SRIOKGSFAADGRW-MYUZEXMDSA-N 0 1 384.545 3.302 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cc2)CCO1 ZINC000266368849 1434326030 /nfs/dbraw/zinc/32/60/30/1434326030.db2.gz DLTIEFGNBNOEPD-DNVCBOLYSA-N 0 1 388.537 3.398 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cc2)CCO1 ZINC000266368852 1434326053 /nfs/dbraw/zinc/32/60/53/1434326053.db2.gz DLTIEFGNBNOEPD-HNAYVOBHSA-N 0 1 388.537 3.398 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cc2)CCO1 ZINC000266368856 1434326082 /nfs/dbraw/zinc/32/60/82/1434326082.db2.gz DLTIEFGNBNOEPD-KXBFYZLASA-N 0 1 388.537 3.398 20 0 GGADMN CCN(CCCO)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000266422398 1434334186 /nfs/dbraw/zinc/33/41/86/1434334186.db2.gz LFWLNNYDZQKKTK-UHFFFAOYSA-N 0 1 390.528 3.127 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cc(C(C)C)on3)[nH]c2c1 ZINC000266446123 1434337799 /nfs/dbraw/zinc/33/77/99/1434337799.db2.gz NTOOFNGFTULSKW-HNNXBMFYSA-N 0 1 381.436 3.285 20 0 GGADMN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000266449216 1434338268 /nfs/dbraw/zinc/33/82/68/1434338268.db2.gz OCMHGBPBYWIORU-QGZVFWFLSA-N 0 1 388.493 3.438 20 0 GGADMN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000266449213 1434338289 /nfs/dbraw/zinc/33/82/89/1434338289.db2.gz OCMHGBPBYWIORU-KRWDZBQOSA-N 0 1 388.493 3.438 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000266457887 1434339271 /nfs/dbraw/zinc/33/92/71/1434339271.db2.gz GITZEMVQIPQNEY-UHFFFAOYSA-N 0 1 399.491 3.107 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC3(C2)CCOCC3)N2CCCC2)cc1 ZINC000266465393 1434340363 /nfs/dbraw/zinc/34/03/63/1434340363.db2.gz QPMUEPLLIFIVKG-HXUWFJFHSA-N 0 1 387.524 3.044 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(C(C)=O)cc1 ZINC000266470372 1434340762 /nfs/dbraw/zinc/34/07/62/1434340762.db2.gz KSJIUDSHBOKUNI-UHFFFAOYSA-N 0 1 395.503 3.221 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cccc(Oc2ccccn2)c1)N1CCN(C)CC1 ZINC000266476282 1434341480 /nfs/dbraw/zinc/34/14/80/1434341480.db2.gz SIDKNFAGVJTOGI-FQEVSTJZSA-N 0 1 397.523 3.267 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000266479552 1434341891 /nfs/dbraw/zinc/34/18/91/1434341891.db2.gz BUSFDQSKFXIUTM-YSVLISHTSA-N 0 1 385.430 3.004 20 0 GGADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn(C)c1 ZINC000266482428 1434342058 /nfs/dbraw/zinc/34/20/58/1434342058.db2.gz HZKGAGVYRYGPKL-AWEZNQCLSA-N 0 1 375.904 3.098 20 0 GGADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266494124 1434343298 /nfs/dbraw/zinc/34/32/98/1434343298.db2.gz QSPVCXLKZHBCKP-CZUORRHYSA-N 0 1 398.525 3.116 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OC)cc1OC ZINC000266498863 1434343832 /nfs/dbraw/zinc/34/38/32/1434343832.db2.gz WBVNBWDFKOGAIV-UHFFFAOYSA-N 0 1 399.491 3.107 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OC)cc1C ZINC000266503501 1434344340 /nfs/dbraw/zinc/34/43/40/1434344340.db2.gz XQWXLWSJWYQMSV-UHFFFAOYSA-N 0 1 383.492 3.406 20 0 GGADMN O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)[C@H]1CCCS1 ZINC000266522147 1434346295 /nfs/dbraw/zinc/34/62/95/1434346295.db2.gz FELUARDPSDNUEL-OAQYLSRUSA-N 0 1 396.560 3.280 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1cnn(C)c1)N1CCCCC1 ZINC000266546980 1434348508 /nfs/dbraw/zinc/34/85/08/1434348508.db2.gz RPEFFNJIGYLRKU-QFBILLFUSA-N 0 1 385.512 3.016 20 0 GGADMN CCC(CC)N(CCOC)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000266565770 1434350228 /nfs/dbraw/zinc/35/02/28/1434350228.db2.gz ZRFYAGKSMLVMPV-UHFFFAOYSA-N 0 1 393.484 3.399 20 0 GGADMN Cc1ccccc1O[C@@H](C)CNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000266575620 1434350969 /nfs/dbraw/zinc/35/09/69/1434350969.db2.gz XROFPRQVQHBBLW-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266608635 1434353951 /nfs/dbraw/zinc/35/39/51/1434353951.db2.gz BPFIQXRTCKYZJM-BJZITVGISA-N 0 1 375.513 3.160 20 0 GGADMN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266608645 1434353968 /nfs/dbraw/zinc/35/39/68/1434353968.db2.gz BPFIQXRTCKYZJM-YJLNNSPDSA-N 0 1 375.513 3.160 20 0 GGADMN COCCOC[C@H]1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000266609723 1434354265 /nfs/dbraw/zinc/35/42/65/1434354265.db2.gz VSNNOMNBYMCTTR-UNMCSNQZSA-N 0 1 382.504 3.029 20 0 GGADMN Cc1nsc(NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)n1 ZINC000266612229 1434354443 /nfs/dbraw/zinc/35/44/43/1434354443.db2.gz XWHVLBBKEAAZKS-UHFFFAOYSA-N 0 1 389.506 3.044 20 0 GGADMN C[C@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000266612362 1434354464 /nfs/dbraw/zinc/35/44/64/1434354464.db2.gz UIWPUBBCJSVODQ-DOTOQJQBSA-N 0 1 399.457 3.348 20 0 GGADMN CC[C@@](C)(NC[C@H](O)COc1ccc(NC(C)=O)cc1)c1nc(C)cs1 ZINC000266648223 1434358706 /nfs/dbraw/zinc/35/87/06/1434358706.db2.gz XKODQQPUZQHNQZ-QFBILLFUSA-N 0 1 377.510 3.065 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC4(C3)CCOCC4)c2C1 ZINC000266662289 1434360819 /nfs/dbraw/zinc/36/08/19/1434360819.db2.gz QLOVMFDFTDKCMU-QGZVFWFLSA-N 0 1 399.535 3.014 20 0 GGADMN CCOCCOCc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1C ZINC000266688965 1434363990 /nfs/dbraw/zinc/36/39/90/1434363990.db2.gz CWJJLLGLVITEEC-UHFFFAOYSA-N 0 1 389.477 3.225 20 0 GGADMN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@@H](COCCOC)C1 ZINC000266714371 1434366906 /nfs/dbraw/zinc/36/69/06/1434366906.db2.gz GDTISTBPOIPMDG-MRXNPFEDSA-N 0 1 388.464 3.003 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000266720631 1434367563 /nfs/dbraw/zinc/36/75/63/1434367563.db2.gz LSOSEXJKQMYTEF-QGZVFWFLSA-N 0 1 383.423 3.232 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(CN3CCN(C4CCC4)CC3)cs2)cc1 ZINC000266723734 1434367891 /nfs/dbraw/zinc/36/78/91/1434367891.db2.gz IPZZBGHDHWBYIS-UHFFFAOYSA-N 0 1 384.549 3.303 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)[nH]1 ZINC000266738519 1434369761 /nfs/dbraw/zinc/36/97/61/1434369761.db2.gz JNUXGABKCUUHFH-CQSZACIVSA-N 0 1 376.482 3.100 20 0 GGADMN COCc1nc(C)cc(N(C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)n1 ZINC000266752115 1434371143 /nfs/dbraw/zinc/37/11/43/1434371143.db2.gz SXNBFXORGKOAIK-UHFFFAOYSA-N 0 1 399.539 3.053 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[nH]1 ZINC000266768232 1434373194 /nfs/dbraw/zinc/37/31/94/1434373194.db2.gz RNYWYBSKZSNMBX-UHFFFAOYSA-N 0 1 388.497 3.252 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)n1 ZINC000266768232 1434373197 /nfs/dbraw/zinc/37/31/97/1434373197.db2.gz RNYWYBSKZSNMBX-UHFFFAOYSA-N 0 1 388.497 3.252 20 0 GGADMN CN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000266796847 1434376276 /nfs/dbraw/zinc/37/62/76/1434376276.db2.gz HLBNTTBPASIQSC-KRWDZBQOSA-N 0 1 393.487 3.043 20 0 GGADMN Cc1cc(C)c(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1 ZINC000266802701 1434376941 /nfs/dbraw/zinc/37/69/41/1434376941.db2.gz DHHCMQVTQLJEOF-INIZCTEOSA-N 0 1 393.409 3.427 20 0 GGADMN CC[C@@H](NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000266807037 1434377440 /nfs/dbraw/zinc/37/74/40/1434377440.db2.gz NWGSVSACJYYLHK-OAQYLSRUSA-N 0 1 382.508 3.459 20 0 GGADMN CCOc1ccccc1Oc1ccc(CNC(=O)CSc2nnc(C)[nH]2)cn1 ZINC000266816623 1434378415 /nfs/dbraw/zinc/37/84/15/1434378415.db2.gz ILVKWGBZOXIKBW-UHFFFAOYSA-N 0 1 399.476 3.108 20 0 GGADMN CCOc1ccccc1Oc1ccc(CNC(=O)CSc2nc(C)n[nH]2)cn1 ZINC000266816623 1434378418 /nfs/dbraw/zinc/37/84/18/1434378418.db2.gz ILVKWGBZOXIKBW-UHFFFAOYSA-N 0 1 399.476 3.108 20 0 GGADMN Cc1nccn1-c1ncccc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000266838368 1434380598 /nfs/dbraw/zinc/38/05/98/1434380598.db2.gz LWKLGRLBFLTPAZ-OAQYLSRUSA-N 0 1 389.503 3.247 20 0 GGADMN CC(C)OCCN1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000266840575 1434380978 /nfs/dbraw/zinc/38/09/78/1434380978.db2.gz MGWXPOIGNVFGHL-UHFFFAOYSA-N 0 1 395.429 3.104 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000266849213 1434381642 /nfs/dbraw/zinc/38/16/42/1434381642.db2.gz BTVLUUCPNHRWCW-QGZVFWFLSA-N 0 1 388.533 3.039 20 0 GGADMN COc1cc(CNC(=O)CCSc2nnc(C)[nH]2)ccc1OCCC(C)C ZINC000266850229 1434381886 /nfs/dbraw/zinc/38/18/86/1434381886.db2.gz QXVJYRPKNAMLRP-UHFFFAOYSA-N 0 1 392.525 3.345 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)[nH]1 ZINC000266858891 1434382452 /nfs/dbraw/zinc/38/24/52/1434382452.db2.gz RNBQAHLSABHGND-AWEZNQCLSA-N 0 1 376.482 3.182 20 0 GGADMN CCOCCOCc1cccc(NC(=O)CCSc2nnc(C)[nH]2)c1C ZINC000266863698 1434383031 /nfs/dbraw/zinc/38/30/31/1434383031.db2.gz BKTOILMWBKHTEY-UHFFFAOYSA-N 0 1 378.498 3.096 20 0 GGADMN CCOc1ccccc1NC(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000266915269 1434388091 /nfs/dbraw/zinc/38/80/91/1434388091.db2.gz MZGCVOQCJIRXSL-UHFFFAOYSA-N 0 1 391.512 3.355 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)[nH]1 ZINC000266918797 1434388347 /nfs/dbraw/zinc/38/83/47/1434388347.db2.gz PJTWAQYYSIAHGF-UHFFFAOYSA-N 0 1 376.482 3.118 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000266938950 1434390372 /nfs/dbraw/zinc/39/03/72/1434390372.db2.gz PAKPQGKVZJYNGX-SJLPKXTDSA-N 0 1 397.544 3.156 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266988634 1434396427 /nfs/dbraw/zinc/39/64/27/1434396427.db2.gz WVFZTAITGVAIOX-CQSZACIVSA-N 0 1 384.480 3.047 20 0 GGADMN O=C(CCSc1nc2ccccc2s1)N1CCN(C2CCOCC2)CC1 ZINC000266991288 1434396583 /nfs/dbraw/zinc/39/65/83/1434396583.db2.gz KDRNOMRQMZORIV-UHFFFAOYSA-N 0 1 391.562 3.102 20 0 GGADMN COC[C@H](NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccco1 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380.370 3.037 20 0 GGADMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269043234 1434585003 /nfs/dbraw/zinc/58/50/03/1434585003.db2.gz YRQKIQLOGLPOJM-LBPRGKRZSA-N 0 1 386.761 3.214 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000269046832 1434585421 /nfs/dbraw/zinc/58/54/21/1434585421.db2.gz ZIXOCMVENRKFLH-KZULUSFZSA-N 0 1 388.880 3.186 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000269047484 1434585518 /nfs/dbraw/zinc/58/55/18/1434585518.db2.gz TYUQNXBWXSQDLM-KRWDZBQOSA-N 0 1 388.418 3.370 20 0 GGADMN Cc1cc(-c2noc([C@@H](C)NC(=O)[C@H]3Cc4ccccc4CN3)n2)ccc1F ZINC000269136621 1434596238 /nfs/dbraw/zinc/59/62/38/1434596238.db2.gz WRKFZNDKFMLPRF-FZKQIMNGSA-N 0 1 380.423 3.076 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CCOC2(CCC2)C1)N1CCCC1 ZINC000269196782 1434605933 /nfs/dbraw/zinc/60/59/33/1434605933.db2.gz GRGXSUKAUFHIOX-HKUYNNGSSA-N 0 1 387.524 3.233 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000269205384 1434606741 /nfs/dbraw/zinc/60/67/41/1434606741.db2.gz KPQIGECGQNDAHX-NUJGCVRESA-N 0 1 394.441 3.039 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000269205386 1434606869 /nfs/dbraw/zinc/60/68/69/1434606869.db2.gz KPQIGECGQNDAHX-RYRKJORJSA-N 0 1 394.441 3.039 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000269215717 1434608308 /nfs/dbraw/zinc/60/83/08/1434608308.db2.gz GUXIEZKPXVHDBT-NRFANRHFSA-N 0 1 394.906 3.040 20 0 GGADMN Cc1cc([C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)ccc1F ZINC000269224947 1434609700 /nfs/dbraw/zinc/60/97/00/1434609700.db2.gz DGVXCHPKUOCHED-KKSFZXQISA-N 0 1 380.467 3.126 20 0 GGADMN Cc1cc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)ccc1F ZINC000269224945 1434609708 /nfs/dbraw/zinc/60/97/08/1434609708.db2.gz DGVXCHPKUOCHED-IERDGZPVSA-N 0 1 380.467 3.126 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1C ZINC000269231905 1434610941 /nfs/dbraw/zinc/61/09/41/1434610941.db2.gz PQNYREWMSLGNDA-AVRDEDQJSA-N 0 1 376.504 3.295 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1C ZINC000269231909 1434611176 /nfs/dbraw/zinc/61/11/76/1434611176.db2.gz PQNYREWMSLGNDA-GCJKJVERSA-N 0 1 376.504 3.295 20 0 GGADMN O=C(NCCCCc1nc(-c2cccnc2)cs1)[C@H]1Cc2ccccc2CN1 ZINC000269240678 1434612355 /nfs/dbraw/zinc/61/23/55/1434612355.db2.gz BADQBNYZYHBCJM-LJQANCHMSA-N 0 1 392.528 3.359 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(N)cc1Cl ZINC000269287059 1434617862 /nfs/dbraw/zinc/61/78/62/1434617862.db2.gz JAOCOOLTJBWJCX-UHFFFAOYSA-N 0 1 388.899 3.325 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)c3ccc(N)cc3Cl)CC2)c1 ZINC000269284458 1434617913 /nfs/dbraw/zinc/61/79/13/1434617913.db2.gz HKAHKHUYDFCWSU-UHFFFAOYSA-N 0 1 386.927 3.173 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(OCC(F)(F)F)c1 ZINC000269284590 1434617978 /nfs/dbraw/zinc/61/79/78/1434617978.db2.gz RJIYIIMLSHQWLL-UHFFFAOYSA-N 0 1 393.409 3.417 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000269324655 1434624189 /nfs/dbraw/zinc/62/41/89/1434624189.db2.gz SBKQHBFPLWLMKW-UHFFFAOYSA-N 0 1 395.381 3.041 20 0 GGADMN COc1ccc([C@@H](CN[C@H](C)c2csc(C)n2)N2CCOCC2)cc1OC ZINC000269411251 1434640669 /nfs/dbraw/zinc/64/06/69/1434640669.db2.gz JCLJYJCPHLUAST-RDTXWAMCSA-N 0 1 391.537 3.193 20 0 GGADMN Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)c2)n1C ZINC000269470518 1434650476 /nfs/dbraw/zinc/65/04/76/1434650476.db2.gz YLBAKZCTLJMIJN-FQEVSTJZSA-N 0 1 375.476 3.394 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000269497054 1434654113 /nfs/dbraw/zinc/65/41/13/1434654113.db2.gz DRISDZOUKDKXIM-UHFFFAOYSA-N 0 1 391.353 3.117 20 0 GGADMN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c[nH]c(C)cc1=O ZINC000269573305 1434660411 /nfs/dbraw/zinc/66/04/11/1434660411.db2.gz IWBOROZAYYNAQC-GOSISDBHSA-N 0 1 391.475 3.300 20 0 GGADMN COc1cc(OC)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1OC ZINC000269588576 1434661535 /nfs/dbraw/zinc/66/15/35/1434661535.db2.gz APHBKOHRVMLQPE-OAHLLOKOSA-N 0 1 399.491 3.063 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000269594869 1434662254 /nfs/dbraw/zinc/66/22/54/1434662254.db2.gz JLZGVSNTIUWQLG-LJQANCHMSA-N 0 1 391.471 3.295 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC3(CCOCC3)C2)CC1 ZINC000269650536 1434666655 /nfs/dbraw/zinc/66/66/55/1434666655.db2.gz IJPGHNNWKJODIV-GOSISDBHSA-N 0 1 386.540 3.209 20 0 GGADMN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cc1 ZINC000269651443 1434666906 /nfs/dbraw/zinc/66/69/06/1434666906.db2.gz DMOJKCLQKUMTJE-RDTXWAMCSA-N 0 1 392.546 3.240 20 0 GGADMN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc1 ZINC000269651437 1434666986 /nfs/dbraw/zinc/66/69/86/1434666986.db2.gz DMOJKCLQKUMTJE-KDOFPFPSSA-N 0 1 392.546 3.240 20 0 GGADMN C[C@H](Sc1ccccc1)c1ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc1 ZINC000269651440 1434666991 /nfs/dbraw/zinc/66/69/91/1434666991.db2.gz DMOJKCLQKUMTJE-KSSFIOAISA-N 0 1 392.546 3.240 20 0 GGADMN COc1cccc(COC[C@H](O)CN2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000269657936 1434667539 /nfs/dbraw/zinc/66/75/39/1434667539.db2.gz SPKXOUFNRHTZSJ-GCJKJVERSA-N 0 1 395.503 3.297 20 0 GGADMN COc1cccc(COC[C@@H](O)CN2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000269657938 1434667555 /nfs/dbraw/zinc/66/75/55/1434667555.db2.gz SPKXOUFNRHTZSJ-PGRDOPGGSA-N 0 1 395.503 3.297 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc(F)cc3O)CC2)cs1 ZINC000269719629 1434672038 /nfs/dbraw/zinc/67/20/38/1434672038.db2.gz RSYYJUZCEVCNIK-ZDUSSCGKSA-N 0 1 393.484 3.043 20 0 GGADMN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCC(Cn2ccnn2)CC1 ZINC000269838929 1434680365 /nfs/dbraw/zinc/68/03/65/1434680365.db2.gz HOBLFQDSDWSRRA-QFIPXVFZSA-N 0 1 389.503 3.048 20 0 GGADMN CN1CCN(C(=O)c2ccc(CN[C@H]3CCc4c3c(F)ccc4F)cc2)CC1 ZINC000269840787 1434680399 /nfs/dbraw/zinc/68/03/99/1434680399.db2.gz NLMGUHGWHBEGBE-FQEVSTJZSA-N 0 1 385.458 3.130 20 0 GGADMN CN1CCN(C(=O)c2ccc(CN[C@@H]3CCc4c3c(F)ccc4F)cc2)CC1 ZINC000269840790 1434680433 /nfs/dbraw/zinc/68/04/33/1434680433.db2.gz NLMGUHGWHBEGBE-HXUWFJFHSA-N 0 1 385.458 3.130 20 0 GGADMN COC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000269891684 1434684667 /nfs/dbraw/zinc/68/46/67/1434684667.db2.gz LQMFGHBBHJIXQV-CQSZACIVSA-N 0 1 378.432 3.073 20 0 GGADMN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000269940513 1434688440 /nfs/dbraw/zinc/68/84/40/1434688440.db2.gz OYYNJTSELAWOPV-CRAIPNDOSA-N 0 1 393.409 3.166 20 0 GGADMN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000269940515 1434688525 /nfs/dbraw/zinc/68/85/25/1434688525.db2.gz OYYNJTSELAWOPV-QAPCUYQASA-N 0 1 393.409 3.166 20 0 GGADMN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@H]1CN(C)CCN1C ZINC000269942671 1434688751 /nfs/dbraw/zinc/68/87/51/1434688751.db2.gz FVBLSBDDDUVWGF-SFHVURJKSA-N 0 1 389.975 3.044 20 0 GGADMN OC[C@@H](C[C@H](O)c1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000269948726 1434689083 /nfs/dbraw/zinc/68/90/83/1434689083.db2.gz QWMLXKAQHUCOSJ-AEFFLSMTSA-N 0 1 398.484 3.113 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3cc(C)nc4ccc(F)cc43)C2)no1 ZINC000269959086 1434690312 /nfs/dbraw/zinc/69/03/12/1434690312.db2.gz UKCFBEMUEPQIRW-MRXNPFEDSA-N 0 1 397.454 3.255 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc([S@](C)=O)cc1 ZINC000270019760 1434693816 /nfs/dbraw/zinc/69/38/16/1434693816.db2.gz AHUVRNZBACJRPY-BBXQPJIDSA-N 0 1 389.521 3.214 20 0 GGADMN CC[C@H](NC(=O)Cc1[nH]nc2ccccc21)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270075490 1434699880 /nfs/dbraw/zinc/69/98/80/1434699880.db2.gz DMLRLJAMFHDGNF-PGRDOPGGSA-N 0 1 388.475 3.190 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000270082025 1434700568 /nfs/dbraw/zinc/70/05/68/1434700568.db2.gz AQHXICYFGHNCPP-UHFFFAOYSA-N 0 1 382.430 3.473 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000270088545 1434701772 /nfs/dbraw/zinc/70/17/72/1434701772.db2.gz ASKOBPWBMALLSX-WMZOPIPTSA-N 0 1 378.480 3.319 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2)cc1 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ZINC000270592701 1434748149 /nfs/dbraw/zinc/74/81/49/1434748149.db2.gz CTGQCFGFVGRAQS-UHFFFAOYSA-N 0 1 380.444 3.204 20 0 GGADMN CC[C@@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000270594095 1434748544 /nfs/dbraw/zinc/74/85/44/1434748544.db2.gz DEIHNZMNMLXUDT-RDJZCZTQSA-N 0 1 375.490 3.143 20 0 GGADMN CCOCCOc1cc(C)ccc1CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270598178 1434748808 /nfs/dbraw/zinc/74/88/08/1434748808.db2.gz DJQMVCLOSRVNFF-OAHLLOKOSA-N 0 1 389.500 3.212 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)n[nH]1 ZINC000270606187 1434749670 /nfs/dbraw/zinc/74/96/70/1434749670.db2.gz FKVGZCKRKZZNGL-SECBINFHSA-N 0 1 383.424 3.059 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000270606245 1434749765 /nfs/dbraw/zinc/74/97/65/1434749765.db2.gz BTSDFJISCYNLGJ-LSTHTHJFSA-N 0 1 388.556 3.500 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)n[nH]1 ZINC000270609843 1434750100 /nfs/dbraw/zinc/75/01/00/1434750100.db2.gz DSAGKDOFYZPYBQ-CQSZACIVSA-N 0 1 389.475 3.176 20 0 GGADMN COc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc(OC)c1OC(F)F ZINC000270610328 1434750195 /nfs/dbraw/zinc/75/01/95/1434750195.db2.gz FFRXUXYMHHSOBW-VIFPVBQESA-N 0 1 384.383 3.038 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270611587 1434750583 /nfs/dbraw/zinc/75/05/83/1434750583.db2.gz IIMFDVPIZNKRON-ZBQZNYHESA-N 0 1 390.890 3.116 20 0 GGADMN C[C@H](Cn1ccnc1)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270613647 1434751184 /nfs/dbraw/zinc/75/11/84/1434751184.db2.gz YVKXUKYKXWWQLL-QIIPPGSGSA-N 0 1 393.894 3.056 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)ccc21 ZINC000270619534 1434751606 /nfs/dbraw/zinc/75/16/06/1434751606.db2.gz HLNFDOGZYZFRJZ-CYBMUJFWSA-N 0 1 382.468 3.109 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)n[nH]1 ZINC000270621584 1434751956 /nfs/dbraw/zinc/75/19/56/1434751956.db2.gz FXVUEMQHYSVXNX-CQSZACIVSA-N 0 1 384.484 3.437 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(OC(F)F)c3ncccc23)n[nH]1 ZINC000270625674 1434752821 /nfs/dbraw/zinc/75/28/21/1434752821.db2.gz GLEFWDDLILSANS-VIFPVBQESA-N 0 1 376.367 3.399 20 0 GGADMN COc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc(OC)c1O ZINC000270628139 1434753124 /nfs/dbraw/zinc/75/31/24/1434753124.db2.gz BTVFYLLDQSPDHL-OAHLLOKOSA-N 0 1 383.404 3.390 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1 ZINC000270629629 1434753135 /nfs/dbraw/zinc/75/31/35/1434753135.db2.gz GWOHUMFFFPEZMQ-QWHCGFSZSA-N 0 1 386.456 3.006 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)n[nH]1 ZINC000270632335 1434753607 /nfs/dbraw/zinc/75/36/07/1434753607.db2.gz HDDCWEFWYONJIR-STQMWFEESA-N 0 1 399.499 3.333 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)n[nH]1 ZINC000270630672 1434753618 /nfs/dbraw/zinc/75/36/18/1434753618.db2.gz JBLPVMOCAJWCTB-NSHDSACASA-N 0 1 375.498 3.074 20 0 GGADMN COc1cc(F)c([C@@H](C)NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000270630747 1434753635 /nfs/dbraw/zinc/75/36/35/1434753635.db2.gz JDDUQYNGHIAKBU-MNOVXSKESA-N 0 1 379.436 3.206 20 0 GGADMN COC[C@@H]1CCN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000270633641 1434754059 /nfs/dbraw/zinc/75/40/59/1434754059.db2.gz JNURDEHPEHLIIF-DDUZABMNSA-N 0 1 383.895 3.150 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)n[nH]1 ZINC000270640307 1434754598 /nfs/dbraw/zinc/75/45/98/1434754598.db2.gz KNLNSGGMQNXGSH-JTQLQIEISA-N 0 1 395.916 3.337 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)n2)c1 ZINC000270638637 1434754844 /nfs/dbraw/zinc/75/48/44/1434754844.db2.gz KHAHMYHRFMJUHB-RYUDHWBXSA-N 0 1 399.455 3.108 20 0 GGADMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cccc(C(N)=O)c2)c1 ZINC000270644373 1434755456 /nfs/dbraw/zinc/75/54/56/1434755456.db2.gz KLVIAPLBDYEXLV-HNNXBMFYSA-N 0 1 398.482 3.350 20 0 GGADMN Cc1cc(C)n(-c2ccccc2CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270644186 1434755600 /nfs/dbraw/zinc/75/56/00/1434755600.db2.gz KYDGPQQABJLFJY-HNNXBMFYSA-N 0 1 381.484 3.291 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)n[nH]1 ZINC000270645670 1434755609 /nfs/dbraw/zinc/75/56/09/1434755609.db2.gz LCZCWJBMACEAHV-OAHLLOKOSA-N 0 1 398.511 3.124 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCCCCC3)nc2)n[nH]1 ZINC000270646281 1434755694 /nfs/dbraw/zinc/75/56/94/1434755694.db2.gz IOWVXJXAPDMINP-HNNXBMFYSA-N 0 1 385.516 3.264 20 0 GGADMN COCCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270653451 1434756640 /nfs/dbraw/zinc/75/66/40/1434756640.db2.gz JIVMITAHLNIPCW-LBPRGKRZSA-N 0 1 390.444 3.006 20 0 GGADMN COCCOC(=O)Nc1cccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270653448 1434756696 /nfs/dbraw/zinc/75/66/96/1434756696.db2.gz JIVMITAHLNIPCW-GFCCVEGCSA-N 0 1 390.444 3.006 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)n[nH]1 ZINC000270658859 1434757788 /nfs/dbraw/zinc/75/77/88/1434757788.db2.gz KANRRDFIJICKMR-AWEZNQCLSA-N 0 1 398.511 3.446 20 0 GGADMN 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GGADMN C[C@H]1C[C@H](CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000271685716 1434844205 /nfs/dbraw/zinc/84/42/05/1434844205.db2.gz RCZOQZOGWDUDDB-DOTOQJQBSA-N 0 1 379.932 3.419 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000271686063 1434844221 /nfs/dbraw/zinc/84/42/21/1434844221.db2.gz CZHZUTUOFDARSB-KBXCAEBGSA-N 0 1 397.475 3.484 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(OC)cc2)cc1 ZINC000271687403 1434844313 /nfs/dbraw/zinc/84/43/13/1434844313.db2.gz QBUDAWNJXKDDFW-MRXNPFEDSA-N 0 1 383.492 3.467 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000271687399 1434844347 /nfs/dbraw/zinc/84/43/47/1434844347.db2.gz QBUDAWNJXKDDFW-INIZCTEOSA-N 0 1 383.492 3.467 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@@H](CCO)c1ccccc1 ZINC000271707057 1434845404 /nfs/dbraw/zinc/84/54/04/1434845404.db2.gz UNSMKOVZNHTKHQ-NRFANRHFSA-N 0 1 392.503 3.449 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@H](CCO)c1ccccc1 ZINC000271707061 1434845456 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NBFPTLPZCKELEC-UGSOOPFHSA-N 0 1 383.448 3.094 20 0 GGADMN COc1cccc([C@H](C)NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000271733054 1434846893 /nfs/dbraw/zinc/84/68/93/1434846893.db2.gz YWHLGKUNHODTER-AWEZNQCLSA-N 0 1 389.883 3.096 20 0 GGADMN C[C@H](NCC(=O)N(C)C1CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271735876 1434847046 /nfs/dbraw/zinc/84/70/46/1434847046.db2.gz HPWVLTDGIVRRQY-HNNXBMFYSA-N 0 1 383.467 3.278 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NOC2CCCC2)c1 ZINC000271739206 1434847185 /nfs/dbraw/zinc/84/71/85/1434847185.db2.gz IHSDDKUISWGTDR-UHFFFAOYSA-N 0 1 390.461 3.100 20 0 GGADMN COc1cc([C@H](C)NC[C@@H]2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC ZINC000271740177 1434847198 /nfs/dbraw/zinc/84/71/98/1434847198.db2.gz IJQHTGAIRNWTIT-WMLDXEAASA-N 0 1 386.448 3.388 20 0 GGADMN COc1cc(F)c([C@H](C)NC[C@H](O)COc2ccc(C(C)=O)cc2)cc1OC ZINC000271741867 1434847377 /nfs/dbraw/zinc/84/73/77/1434847377.db2.gz CKHUCAOBYHGZAF-BBRMVZONSA-N 0 1 391.439 3.136 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCc2cccc(Cl)c2)cc(OC)c1OC ZINC000271745011 1434847522 /nfs/dbraw/zinc/84/75/22/1434847522.db2.gz JIEDQQQIYOYGPD-CYBMUJFWSA-N 0 1 392.883 3.333 20 0 GGADMN C[C@@H](CS(C)(=O)=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271743784 1434847526 /nfs/dbraw/zinc/84/75/26/1434847526.db2.gz VZQVHQXCGLWFAE-GJZGRUSLSA-N 0 1 392.496 3.091 20 0 GGADMN C[C@H](NCc1cccc(OCC(F)(F)F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271746049 1434847547 /nfs/dbraw/zinc/84/75/47/1434847547.db2.gz GLFULPJRPAYVLH-LBPRGKRZSA-N 0 1 388.411 3.126 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271743786 1434847577 /nfs/dbraw/zinc/84/75/77/1434847577.db2.gz VZQVHQXCGLWFAE-HUUCEWRRSA-N 0 1 392.496 3.091 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000271745204 1434847606 /nfs/dbraw/zinc/84/76/06/1434847606.db2.gz JKZXNMSAFNQAEB-ZDUSSCGKSA-N 0 1 392.883 3.333 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000271748157 1434847750 /nfs/dbraw/zinc/84/77/50/1434847750.db2.gz KAWSBCCVVILEHO-GFCCVEGCSA-N 0 1 389.477 3.173 20 0 GGADMN CCCCOCCNC(=O)CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271747487 1434847754 /nfs/dbraw/zinc/84/77/54/1434847754.db2.gz JWPNSGUZIVLSFD-SFHVURJKSA-N 0 1 385.508 3.244 20 0 GGADMN CN(Cc1nccn1C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271753019 1434848039 /nfs/dbraw/zinc/84/80/39/1434848039.db2.gz GFLVIMKPGNTSFF-KDOFPFPSSA-N 0 1 393.894 3.047 20 0 GGADMN C[C@@H](NCC(=O)NCC1CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271758328 1434848388 /nfs/dbraw/zinc/84/83/88/1434848388.db2.gz MAGZNQDBNKYEKA-OAHLLOKOSA-N 0 1 383.467 3.184 20 0 GGADMN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(SC)ccc1C ZINC000271759287 1434848406 /nfs/dbraw/zinc/84/84/06/1434848406.db2.gz YARIMLTWNZUSJE-UHFFFAOYSA-N 0 1 394.518 3.162 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@H](CC)c2ccccc2OCC)CC1 ZINC000271761473 1434848558 /nfs/dbraw/zinc/84/85/58/1434848558.db2.gz MLVJYSJGCUGJEW-QFBILLFUSA-N 0 1 390.524 3.316 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@@H](CC)c2ccccc2OCC)CC1 ZINC000271761471 1434848647 /nfs/dbraw/zinc/84/86/47/1434848647.db2.gz MLVJYSJGCUGJEW-APWZRJJASA-N 0 1 390.524 3.316 20 0 GGADMN C[C@@H](CCO)C1(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000271764551 1434848727 /nfs/dbraw/zinc/84/87/27/1434848727.db2.gz BRZGKKCZCHMEIL-ROUUACIJSA-N 0 1 388.556 3.095 20 0 GGADMN CCCCCc1nnc(NC(=O)CN[C@@H](CCCO)c2ccccc2)s1 ZINC000271763321 1434848836 /nfs/dbraw/zinc/84/88/36/1434848836.db2.gz ICAQMFAOODVVHB-INIZCTEOSA-N 0 1 376.526 3.313 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n[nH]1 ZINC000271763640 1434848848 /nfs/dbraw/zinc/84/88/48/1434848848.db2.gz BDIGJNGZQVKOBR-SSDOTTSWSA-N 0 1 376.310 3.061 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000271766851 1434848939 /nfs/dbraw/zinc/84/89/39/1434848939.db2.gz PWQDDFDMCKAVEA-UHFFFAOYSA-N 0 1 395.503 3.265 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271765326 1434848941 /nfs/dbraw/zinc/84/89/41/1434848941.db2.gz BUQJIBVTSCOANV-LBPRGKRZSA-N 0 1 387.867 3.157 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000271768603 1434849093 /nfs/dbraw/zinc/84/90/93/1434849093.db2.gz CNOPAGFZMYIBTM-IRXDYDNUSA-N 0 1 379.504 3.350 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)c1ccc([S@](C)=O)cc1 ZINC000271769784 1434849099 /nfs/dbraw/zinc/84/90/99/1434849099.db2.gz FDSOGQXUYKLSFU-FYCBBRDGSA-N 0 1 397.544 3.303 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000271769785 1434849169 /nfs/dbraw/zinc/84/91/69/1434849169.db2.gz FDSOGQXUYKLSFU-KPOHSRMJSA-N 0 1 397.544 3.303 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271770951 1434849348 /nfs/dbraw/zinc/84/93/48/1434849348.db2.gz NVMDAGXMPWWASE-AWEZNQCLSA-N 0 1 388.464 3.400 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000271775428 1434849656 /nfs/dbraw/zinc/84/96/56/1434849656.db2.gz GTGBSLNADADADH-MRXNPFEDSA-N 0 1 397.475 3.009 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271777424 1434849873 /nfs/dbraw/zinc/84/98/73/1434849873.db2.gz HBEXNOAPEDWTOH-INIZCTEOSA-N 0 1 397.475 3.009 20 0 GGADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCO1 ZINC000271781588 1434850054 /nfs/dbraw/zinc/85/00/54/1434850054.db2.gz VQPJLILCUHWFGR-KSSFIOAISA-N 0 1 378.469 3.284 20 0 GGADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCO1 ZINC000271781585 1434850057 /nfs/dbraw/zinc/85/00/57/1434850057.db2.gz VQPJLILCUHWFGR-KDOFPFPSSA-N 0 1 378.469 3.284 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)CS(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000271784453 1434850482 /nfs/dbraw/zinc/85/04/82/1434850482.db2.gz HNHARYIFNFWLLP-GJZGRUSLSA-N 0 1 393.505 3.225 20 0 GGADMN C[C@H](NCC(=O)NCCCSc1ccccc1)c1ccc2c(c1)CC(=O)N2C ZINC000271790314 1434850748 /nfs/dbraw/zinc/85/07/48/1434850748.db2.gz HSODIAOUKSDEMR-INIZCTEOSA-N 0 1 397.544 3.155 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](COC)c2ccccc2)cc1OC ZINC000271791091 1434850827 /nfs/dbraw/zinc/85/08/27/1434850827.db2.gz KCQGKPKANDVKNI-VQIMIIECSA-N 0 1 386.492 3.248 20 0 GGADMN COC1(C)CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000271796460 1434851136 /nfs/dbraw/zinc/85/11/36/1434851136.db2.gz VRXXUYFBUOVYJH-GOSISDBHSA-N 0 1 388.508 3.012 20 0 GGADMN CCOc1nnc(CN[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)s1 ZINC000271795689 1434851146 /nfs/dbraw/zinc/85/11/46/1434851146.db2.gz LDOYOQGONGVXTF-CQSZACIVSA-N 0 1 393.532 3.069 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000271795660 1434851208 /nfs/dbraw/zinc/85/12/08/1434851208.db2.gz LAYITDQGPQGKPE-ZIAGYGMSSA-N 0 1 397.431 3.050 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(S(N)(=O)=O)c1 ZINC000271810920 1434852044 /nfs/dbraw/zinc/85/20/44/1434852044.db2.gz ARTLJFHJGHOADW-CQSZACIVSA-N 0 1 390.505 3.140 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](CCO)c2ccccc2)cc1OC ZINC000271811226 1434852119 /nfs/dbraw/zinc/85/21/19/1434852119.db2.gz UICIOMFMUZLKGU-WOJBJXKFSA-N 0 1 398.503 3.081 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](CCO)c2ccccc2)cc1OC ZINC000271811199 1434852129 /nfs/dbraw/zinc/85/21/29/1434852129.db2.gz UICIOMFMUZLKGU-UXHICEINSA-N 0 1 398.503 3.081 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCc2ccc(C)c(F)c2)cc(OC)c1OC ZINC000271813079 1434852237 /nfs/dbraw/zinc/85/22/37/1434852237.db2.gz UPCRENCXRSHWAX-CQSZACIVSA-N 0 1 390.455 3.127 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271823066 1434852794 /nfs/dbraw/zinc/85/27/94/1434852794.db2.gz NGWDTZULFKXIDR-LOKFHWFJSA-N 0 1 391.537 3.040 20 0 GGADMN CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000271824254 1434852809 /nfs/dbraw/zinc/85/28/09/1434852809.db2.gz QPVMWBXPKVIBBV-AWEZNQCLSA-N 0 1 381.432 3.135 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCCc1nc2c(cccc2C)o1 ZINC000271822828 1434852822 /nfs/dbraw/zinc/85/28/22/1434852822.db2.gz NBTVEUFVNMPXLD-UHFFFAOYSA-N 0 1 382.386 3.452 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@@H](C)c1ccccc1OC(F)F ZINC000271824260 1434852884 /nfs/dbraw/zinc/85/28/84/1434852884.db2.gz WDBXDEJMSDAXHW-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271829669 1434853186 /nfs/dbraw/zinc/85/31/86/1434853186.db2.gz JCMKIRRQNWSZBY-HNNXBMFYSA-N 0 1 398.532 3.046 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc([S@](C)=O)cc1 ZINC000271827848 1434853225 /nfs/dbraw/zinc/85/32/25/1434853225.db2.gz QIMKITMVCXQNQU-RYZVSIALSA-N 0 1 382.432 3.315 20 0 GGADMN C[C@@H](OCCCNC(=O)CN[C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271828238 1434853277 /nfs/dbraw/zinc/85/32/77/1434853277.db2.gz TWSGBAODNICYNF-KNQAVFIVSA-N 0 1 384.520 3.374 20 0 GGADMN COC(=O)C1CCN(C(=O)CN[C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000271841426 1434854134 /nfs/dbraw/zinc/85/41/34/1434854134.db2.gz ZIRDKQWMKTVIDJ-FQEVSTJZSA-N 0 1 376.472 3.058 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NOC2CCCC2)cc1 ZINC000271846340 1434854528 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3.050 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000271863099 1434855550 /nfs/dbraw/zinc/85/55/50/1434855550.db2.gz ZKQYSRFGQMSNNR-ZIAGYGMSSA-N 0 1 397.431 3.050 20 0 GGADMN C[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)CC(=O)N2C ZINC000271862850 1434855628 /nfs/dbraw/zinc/85/56/28/1434855628.db2.gz UNCXEVKIXHKMSN-LBPRGKRZSA-N 0 1 396.472 3.211 20 0 GGADMN C[C@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271870614 1434855998 /nfs/dbraw/zinc/85/59/98/1434855998.db2.gz WCYWHXMKNBIWED-NPMXOYFQSA-N 0 1 377.488 3.124 20 0 GGADMN CN1CC=C(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 ZINC000271886832 1434857074 /nfs/dbraw/zinc/85/70/74/1434857074.db2.gz DEEAEZLHGQIXCV-UHFFFAOYSA-N 0 1 389.858 3.121 20 0 GGADMN C[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271896292 1434857806 /nfs/dbraw/zinc/85/78/06/1434857806.db2.gz XHCRUSQXKCHGLG-LBPRGKRZSA-N 0 1 388.411 3.126 20 0 GGADMN C[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)CCO1 ZINC000271905559 1434858353 /nfs/dbraw/zinc/85/83/53/1434858353.db2.gz RBTSZAXZNCXPDA-ZIAGYGMSSA-N 0 1 385.430 3.211 20 0 GGADMN C[C@H]1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)CCO1 ZINC000271905557 1434858379 /nfs/dbraw/zinc/85/83/79/1434858379.db2.gz RBTSZAXZNCXPDA-UONOGXRCSA-N 0 1 385.430 3.211 20 0 GGADMN CC(C)N(Cc1cc(=O)c(O)co1)C[C@@H](O)COc1cccc2ccccc21 ZINC000271927215 1434859665 /nfs/dbraw/zinc/85/96/65/1434859665.db2.gz YTYRZMOMFIGIAN-QGZVFWFLSA-N 0 1 383.444 3.149 20 0 GGADMN CC(C)C[C@@H](NC1CCN(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000271974369 1434862950 /nfs/dbraw/zinc/86/29/50/1434862950.db2.gz XLWUQMJDUDYSPX-QGZVFWFLSA-N 0 1 381.484 3.201 20 0 GGADMN O=C1[C@@H](N2CCN(C3CCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000271995597 1434864462 /nfs/dbraw/zinc/86/44/62/1434864462.db2.gz FYPHNXNBJFLPCH-IBGZPJMESA-N 0 1 395.469 3.367 20 0 GGADMN O=C1[C@H](N2CCN(C3CCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000271995599 1434864515 /nfs/dbraw/zinc/86/45/15/1434864515.db2.gz FYPHNXNBJFLPCH-LJQANCHMSA-N 0 1 395.469 3.367 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@@H]1CCCOc2c(Cl)cccc21)C(F)(F)F ZINC000272010928 1434865690 /nfs/dbraw/zinc/86/56/90/1434865690.db2.gz BTHMRUWDOCCHSL-CJNGLKHVSA-N 0 1 389.805 3.327 20 0 GGADMN CCC1(O)CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000272020834 1434866490 /nfs/dbraw/zinc/86/64/90/1434866490.db2.gz MXVDODJHGSWWPB-KRWDZBQOSA-N 0 1 384.442 3.433 20 0 GGADMN COc1cc([C@H](C)NC[C@](O)(c2nccn2C)C(F)(F)F)ccc1SC ZINC000272021778 1434866742 /nfs/dbraw/zinc/86/67/42/1434866742.db2.gz DAOGFJCJTUIUIX-ZBEGNZNMSA-N 0 1 389.443 3.251 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCC(c2cc(C)[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000272036339 1434867786 /nfs/dbraw/zinc/86/77/86/1434867786.db2.gz BVILCYBTBAELTE-SFHVURJKSA-N 0 1 388.899 3.345 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCCCO3)c2C1 ZINC000272045327 1434868495 /nfs/dbraw/zinc/86/84/95/1434868495.db2.gz QWFMAAPHXIQBGM-FTRWYGJKSA-N 0 1 387.524 3.059 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)N3CCC(c4cc(C)[nH]n4)CC3)[nH]2)c1 ZINC000272048775 1434868646 /nfs/dbraw/zinc/86/86/46/1434868646.db2.gz DNIPMOSPRAWARH-UHFFFAOYSA-N 0 1 379.464 3.445 20 0 GGADMN C[C@@H]1C[C@H](Nc2ccccc2N2CCN(CCc3ccncc3)CC2)CCO1 ZINC000272054666 1434869220 /nfs/dbraw/zinc/86/92/20/1434869220.db2.gz SJVDCXASBRNQDL-TZIWHRDSSA-N 0 1 380.536 3.426 20 0 GGADMN CN(C)c1ccnc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272063177 1434869582 /nfs/dbraw/zinc/86/95/82/1434869582.db2.gz AVSYVFGHRJDAHC-INIZCTEOSA-N 0 1 382.512 3.333 20 0 GGADMN NC(=O)c1csc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272064724 1434869867 /nfs/dbraw/zinc/86/98/67/1434869867.db2.gz BCUIBNZPMHDSOR-CYBMUJFWSA-N 0 1 387.509 3.033 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)n[nH]1 ZINC000272069185 1434870057 /nfs/dbraw/zinc/87/00/57/1434870057.db2.gz BSXCTBRPBGTWSA-UHFFFAOYSA-N 0 1 381.436 3.008 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c(OC)c1 ZINC000272076281 1434870571 /nfs/dbraw/zinc/87/05/71/1434870571.db2.gz VMQMPIUANHSIGR-QFIPXVFZSA-N 0 1 398.459 3.154 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)[nH]n1 ZINC000272080651 1434870820 /nfs/dbraw/zinc/87/08/20/1434870820.db2.gz BKUFTSXOHXOREY-INIZCTEOSA-N 0 1 393.369 3.275 20 0 GGADMN C[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CCN(C(=O)c2ccccc2)CC1 ZINC000272092916 1434871703 /nfs/dbraw/zinc/87/17/03/1434871703.db2.gz NMYGNCKMVRPNMJ-UHFFFAOYSA-N 0 1 392.455 3.235 20 0 GGADMN C[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CCN(C(=O)c2ccccc2)CC1 ZINC000272092916 1434871704 /nfs/dbraw/zinc/87/17/04/1434871704.db2.gz NMYGNCKMVRPNMJ-UHFFFAOYSA-N 0 1 392.455 3.235 20 0 GGADMN CSc1ccc(C)c(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000272110753 1434872784 /nfs/dbraw/zinc/87/27/84/1434872784.db2.gz QRBCAUGZZBPVTC-UHFFFAOYSA-N 0 1 385.537 3.185 20 0 GGADMN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000272138585 1434874363 /nfs/dbraw/zinc/87/43/63/1434874363.db2.gz SPVMJHRPXNBBAG-QMTHXVAHSA-N 0 1 397.319 3.419 20 0 GGADMN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000272148158 1434874895 /nfs/dbraw/zinc/87/48/95/1434874895.db2.gz UJGQZAHXHHUBDW-ZUZCIYMTSA-N 0 1 379.329 3.122 20 0 GGADMN COc1cc(CCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc(OC)c1OC ZINC000272158028 1434875407 /nfs/dbraw/zinc/87/54/07/1434875407.db2.gz WUPRBCWCJGQUGM-UHFFFAOYSA-N 0 1 387.480 3.083 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H](c3ccccc3)N3CCSCC3)CC2)n[nH]1 ZINC000272168256 1434875889 /nfs/dbraw/zinc/87/58/89/1434875889.db2.gz YFAJYSXRUNLOQR-FQEVSTJZSA-N 0 1 384.549 3.214 20 0 GGADMN COCC[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(C)o1 ZINC000272180526 1434876404 /nfs/dbraw/zinc/87/64/04/1434876404.db2.gz KERJVMHDIZQQNH-IBGZPJMESA-N 0 1 386.496 3.024 20 0 GGADMN CCn1nccc1C=CC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272196728 1434877473 /nfs/dbraw/zinc/87/74/73/1434877473.db2.gz GSCYMXKEUDXORG-DVQDXYAYSA-N 0 1 382.512 3.488 20 0 GGADMN O=C(c1cccc2[nH]c(=O)oc21)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272225641 1434879450 /nfs/dbraw/zinc/87/94/50/1434879450.db2.gz LEXZZLKPRDXXLJ-CQSZACIVSA-N 0 1 395.463 3.307 20 0 GGADMN Cc1ccn2ncc(C(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)c2n1 ZINC000272233584 1434880102 /nfs/dbraw/zinc/88/01/02/1434880102.db2.gz MKUZJWJXADPLEN-INIZCTEOSA-N 0 1 393.495 3.223 20 0 GGADMN NC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272233711 1434880343 /nfs/dbraw/zinc/88/03/43/1434880343.db2.gz MOJQCMHDXVWDAT-MRXNPFEDSA-N 0 1 396.495 3.363 20 0 GGADMN C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236255 1434880353 /nfs/dbraw/zinc/88/03/53/1434880353.db2.gz SDUUQNYGMJESSU-NRYAXDJKSA-N 0 1 394.515 3.446 20 0 GGADMN O=CNc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000272235196 1434880356 /nfs/dbraw/zinc/88/03/56/1434880356.db2.gz MRWZUSDADXPMKN-KRWDZBQOSA-N 0 1 381.480 3.441 20 0 GGADMN O=CNc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000272235198 1434880404 /nfs/dbraw/zinc/88/04/04/1434880404.db2.gz MRWZUSDADXPMKN-QGZVFWFLSA-N 0 1 381.480 3.441 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)[C@@H]3c4ccccc4CCN3C2=O)CC1 ZINC000272239668 1434880714 /nfs/dbraw/zinc/88/07/14/1434880714.db2.gz VBRHLCUBLBIUKF-IERDGZPVSA-N 0 1 390.487 3.169 20 0 GGADMN Cc1cc(C2CCN(C(=O)CSCc3cn4cc(C)ccc4n3)CC2)n[nH]1 ZINC000272239405 1434880717 /nfs/dbraw/zinc/88/07/17/1434880717.db2.gz NGKOMSQNARRMNY-UHFFFAOYSA-N 0 1 383.521 3.314 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(-n2cccn2)cc1 ZINC000272262789 1434882333 /nfs/dbraw/zinc/88/23/33/1434882333.db2.gz MAYKPQFIKMZCGG-JTSKRJEESA-N 0 1 389.503 3.495 20 0 GGADMN CN(C(=O)CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)c1nccs1 ZINC000272263952 1434882547 /nfs/dbraw/zinc/88/25/47/1434882547.db2.gz QXZJZYXNSNGOFB-OAHLLOKOSA-N 0 1 388.541 3.151 20 0 GGADMN CN(C(=O)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nccs1 ZINC000272263952 1434882550 /nfs/dbraw/zinc/88/25/50/1434882550.db2.gz QXZJZYXNSNGOFB-OAHLLOKOSA-N 0 1 388.541 3.151 20 0 GGADMN CN(C(=O)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)c1nccs1 ZINC000272263947 1434882640 /nfs/dbraw/zinc/88/26/40/1434882640.db2.gz QXZJZYXNSNGOFB-HNNXBMFYSA-N 0 1 388.541 3.151 20 0 GGADMN CN(C(=O)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nccs1 ZINC000272263947 1434882642 /nfs/dbraw/zinc/88/26/42/1434882642.db2.gz QXZJZYXNSNGOFB-HNNXBMFYSA-N 0 1 388.541 3.151 20 0 GGADMN COC(=O)c1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccn1 ZINC000272292801 1434884972 /nfs/dbraw/zinc/88/49/72/1434884972.db2.gz VPFJFNHPLOUOTC-MRXNPFEDSA-N 0 1 397.479 3.054 20 0 GGADMN Cc1nnc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)s1 ZINC000272311613 1434886398 /nfs/dbraw/zinc/88/63/98/1434886398.db2.gz YPQZYNCPTDCOKP-CYBMUJFWSA-N 0 1 375.502 3.424 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(F)cc3OC(C)C)cc21 ZINC000272353457 1434889750 /nfs/dbraw/zinc/88/97/50/1434889750.db2.gz YJBIGBWFHIWXHV-UHFFFAOYSA-N 0 1 392.452 3.323 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000272370695 1434891026 /nfs/dbraw/zinc/89/10/26/1434891026.db2.gz XGZSZFUTSNQWQL-IBGZPJMESA-N 0 1 389.459 3.254 20 0 GGADMN CC1(C)[C@H](O)C[C@H]1N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272372775 1434891196 /nfs/dbraw/zinc/89/11/96/1434891196.db2.gz SDYIXAHUJSXMBS-GUDVDZBRSA-N 0 1 377.481 3.068 20 0 GGADMN CC1(C)[C@H](O)C[C@H]1N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272372793 1434891234 /nfs/dbraw/zinc/89/12/34/1434891234.db2.gz SDYIXAHUJSXMBS-QRVBRYPASA-N 0 1 377.481 3.068 20 0 GGADMN CC(C)c1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nn1-c1ccccc1Cl ZINC000272374663 1434891498 /nfs/dbraw/zinc/89/14/98/1434891498.db2.gz BBDSQAMPAKFOII-YOEHRIQHSA-N 0 1 387.915 3.210 20 0 GGADMN C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272387793 1434892784 /nfs/dbraw/zinc/89/27/84/1434892784.db2.gz IUFDFOZXLNFSAK-YJBOKZPZSA-N 0 1 393.940 3.065 20 0 GGADMN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000272391325 1434893176 /nfs/dbraw/zinc/89/31/76/1434893176.db2.gz WUBQVUPPMLYOOV-SFHVURJKSA-N 0 1 399.457 3.056 20 0 GGADMN CCc1nc(COc2ccc(C(=O)Nc3c(C)n[nH]c3C(F)F)cc2)no1 ZINC000272415865 1434894888 /nfs/dbraw/zinc/89/48/88/1434894888.db2.gz GJGUEAZOMPVYHJ-UHFFFAOYSA-N 0 1 377.351 3.432 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000272446552 1434897032 /nfs/dbraw/zinc/89/70/32/1434897032.db2.gz JFWGXOXLFZSWPS-RDJZCZTQSA-N 0 1 393.503 3.019 20 0 GGADMN CCN(Cc1cccc(NC(=O)N[C@@H](C)c2nnc[nH]2)c1)C(=O)OC(C)(C)C ZINC000272458138 1434897784 /nfs/dbraw/zinc/89/77/84/1434897784.db2.gz QIVPETALJYHKAI-ZDUSSCGKSA-N 0 1 388.472 3.444 20 0 GGADMN Cc1nc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000272468131 1434898378 /nfs/dbraw/zinc/89/83/78/1434898378.db2.gz KZSCRRKVUVQIDH-SWLSCSKDSA-N 0 1 394.306 3.049 20 0 GGADMN CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@@H](C)c2nnc[nH]2)cc1 ZINC000272485679 1434899811 /nfs/dbraw/zinc/89/98/11/1434899811.db2.gz SGALROAPGKCNCM-AWEZNQCLSA-N 0 1 396.451 3.341 20 0 GGADMN CS[C@H](CO)[C@H](C)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272497921 1434901042 /nfs/dbraw/zinc/90/10/42/1434901042.db2.gz VIYRQDRFHWLUDZ-BKTGTZMESA-N 0 1 397.537 3.021 20 0 GGADMN COCC[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000272517828 1434902981 /nfs/dbraw/zinc/90/29/81/1434902981.db2.gz JLZMUVLVTUHIEU-VQIMIIECSA-N 0 1 386.496 3.277 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000272518064 1434903443 /nfs/dbraw/zinc/90/34/43/1434903443.db2.gz PQDFJVLARWWGPU-JQHSSLGASA-N 0 1 375.513 3.051 20 0 GGADMN CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000272525002 1434904006 /nfs/dbraw/zinc/90/40/06/1434904006.db2.gz ZYHJLYMJCZFRLT-AWEZNQCLSA-N 0 1 396.451 3.341 20 0 GGADMN C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1nnc[nH]1 ZINC000272525896 1434904213 /nfs/dbraw/zinc/90/42/13/1434904213.db2.gz YYIYXTMWDXJPTD-LBPRGKRZSA-N 0 1 386.456 3.375 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCOCC2CC2)c2ccc(F)cc2)c1 ZINC000272531066 1434904664 /nfs/dbraw/zinc/90/46/64/1434904664.db2.gz ZOXBRVVJJSVQHD-HXUWFJFHSA-N 0 1 377.481 3.335 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000272537078 1434905249 /nfs/dbraw/zinc/90/52/49/1434905249.db2.gz RKDHEFCGBWZFQZ-YQQAZPJKSA-N 0 1 393.503 3.066 20 0 GGADMN C[C@H](CC[S@](C)=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588851 1434911604 /nfs/dbraw/zinc/91/16/04/1434911604.db2.gz HONXVPNWWLMFLM-XZLBEJRYSA-N 0 1 397.537 3.065 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC[C@H](COc3ccccc3)C2)c1 ZINC000272591163 1434912031 /nfs/dbraw/zinc/91/20/31/1434912031.db2.gz PLDXVENQJPAQMJ-WMZOPIPTSA-N 0 1 381.476 3.373 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272592174 1434912083 /nfs/dbraw/zinc/91/20/83/1434912083.db2.gz XKKQVTNEEICIMZ-MJGOQNOKSA-N 0 1 399.564 3.035 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272620273 1434915996 /nfs/dbraw/zinc/91/59/96/1434915996.db2.gz LRWJPAOWNCRVJF-RHSMWYFYSA-N 0 1 389.496 3.336 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@H]2C1 ZINC000272631607 1434917629 /nfs/dbraw/zinc/91/76/29/1434917629.db2.gz NIAOVKCHQLFDBH-WFASDCNBSA-N 0 1 392.912 3.035 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000272631205 1434917641 /nfs/dbraw/zinc/91/76/41/1434917641.db2.gz AVLMXSVHDMPROC-UHFFFAOYSA-N 0 1 375.450 3.217 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c1 ZINC000272674522 1434921570 /nfs/dbraw/zinc/92/15/70/1434921570.db2.gz LLZSDCTYEVAYAY-UHFFFAOYSA-N 0 1 391.449 3.328 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)c1 ZINC000272686720 1434922737 /nfs/dbraw/zinc/92/27/37/1434922737.db2.gz ONNKZGPBLKOYRG-UHFFFAOYSA-N 0 1 391.445 3.038 20 0 GGADMN CCCCCN(CCCOC)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000272691946 1434923230 /nfs/dbraw/zinc/92/32/30/1434923230.db2.gz WBUBGXNTPKYSAL-UHFFFAOYSA-N 0 1 376.545 3.284 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CCO[C@H](C(C)C)C3)n2)c(OC)c1 ZINC000272701588 1434924023 /nfs/dbraw/zinc/92/40/23/1434924023.db2.gz GMDWVAQGNJGWOC-CJNGLKHVSA-N 0 1 388.468 3.269 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000272746191 1434927615 /nfs/dbraw/zinc/92/76/15/1434927615.db2.gz MXAUHVZTTZACLE-UHFFFAOYSA-N 0 1 378.408 3.276 20 0 GGADMN CCCCCc1nnc(NC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000272767772 1434929581 /nfs/dbraw/zinc/92/95/81/1434929581.db2.gz ALWPMCOUUICLKB-NRRJATNASA-N 0 1 394.566 3.298 20 0 GGADMN C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272798610 1434931825 /nfs/dbraw/zinc/93/18/25/1434931825.db2.gz UPTIKXDGLSGMQJ-AVRDEDQJSA-N 0 1 391.515 3.314 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H](C)c2c(F)cccc2F)CC1 ZINC000272856585 1434936434 /nfs/dbraw/zinc/93/64/34/1434936434.db2.gz LYNXDUVMYWVAQL-KBPBESRZSA-N 0 1 382.451 3.196 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](C)c2c(F)cccc2F)CC1 ZINC000272856594 1434936518 /nfs/dbraw/zinc/93/65/18/1434936518.db2.gz LYNXDUVMYWVAQL-ZIAGYGMSSA-N 0 1 382.451 3.196 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272862070 1434936828 /nfs/dbraw/zinc/93/68/28/1434936828.db2.gz VKKDSZUKWYXAGT-UHFFFAOYSA-N 0 1 384.480 3.333 20 0 GGADMN COC(=O)c1cccc(NC(=O)C[C@H](C)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000272884004 1434938657 /nfs/dbraw/zinc/93/86/57/1434938657.db2.gz RDBIWQDDMGZXAK-INIZCTEOSA-N 0 1 397.475 3.035 20 0 GGADMN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272902551 1434939886 /nfs/dbraw/zinc/93/98/86/1434939886.db2.gz IUZJEJNCHBWSFD-UTKZUKDTSA-N 0 1 387.524 3.036 20 0 GGADMN Cn1nc(C(F)(F)F)c(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1Cl ZINC000272903147 1434940032 /nfs/dbraw/zinc/94/00/32/1434940032.db2.gz GIRDHGFLWPAWEI-SNVBAGLBSA-N 0 1 388.825 3.467 20 0 GGADMN Cn1nc(C(F)(F)F)c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1Cl ZINC000272903147 1434940034 /nfs/dbraw/zinc/94/00/34/1434940034.db2.gz GIRDHGFLWPAWEI-SNVBAGLBSA-N 0 1 388.825 3.467 20 0 GGADMN C[C@H](NCC(=O)N(C)CCCOc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000272906832 1434940285 /nfs/dbraw/zinc/94/02/85/1434940285.db2.gz GZKYLDRTNIGWNY-CBZJRKILSA-N 0 1 388.533 3.002 20 0 GGADMN CC(=O)c1ccc(S(C)(=O)=O)c(N2CCC[C@@H](CN3CCCC[C@H]3C)C2)c1 ZINC000272911107 1434940361 /nfs/dbraw/zinc/94/03/61/1434940361.db2.gz OBEHHFNYSROIGQ-AEFFLSMTSA-N 0 1 392.565 3.384 20 0 GGADMN CC(=O)c1ccc(S(C)(=O)=O)c(N2CCC[C@H](CN3CCCC[C@H]3C)C2)c1 ZINC000272911112 1434940455 /nfs/dbraw/zinc/94/04/55/1434940455.db2.gz OBEHHFNYSROIGQ-SJLPKXTDSA-N 0 1 392.565 3.384 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccc([S@](C)=O)cc1 ZINC000272917043 1434940795 /nfs/dbraw/zinc/94/07/95/1434940795.db2.gz IGOXHCKTKPUKDZ-QDXKXIGTSA-N 0 1 382.432 3.315 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272917039 1434940801 /nfs/dbraw/zinc/94/08/01/1434940801.db2.gz IGOXHCKTKPUKDZ-MZHQLVBMSA-N 0 1 382.432 3.315 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3CCCCS3)CC2)c1C ZINC000272919292 1434941081 /nfs/dbraw/zinc/94/10/81/1434941081.db2.gz DXLBDVJBZCGVOU-IBGZPJMESA-N 0 1 391.581 3.416 20 0 GGADMN Cc1cc(C2CCN(Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)[nH]n1 ZINC000272933574 1434942199 /nfs/dbraw/zinc/94/21/99/1434942199.db2.gz KHESTGMULZOYQG-UHFFFAOYSA-N 0 1 381.505 3.320 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cnn(C4CCCCC4)c3C)CC2)c1 ZINC000272935486 1434942375 /nfs/dbraw/zinc/94/23/75/1434942375.db2.gz IXEITMJCFMCGFH-UHFFFAOYSA-N 0 1 383.496 3.063 20 0 GGADMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@@H]2CCc3c2cccc3O)C1 ZINC000272941263 1434942635 /nfs/dbraw/zinc/94/26/35/1434942635.db2.gz MLEYGTDWBSAAEU-QGZVFWFLSA-N 0 1 375.465 3.021 20 0 GGADMN CCCOc1cccc(CNC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000272951634 1434943563 /nfs/dbraw/zinc/94/35/63/1434943563.db2.gz MNWGWUVGWLNEOX-CHAGWJKLSA-N 0 1 388.533 3.180 20 0 GGADMN COCc1cc(CN[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)ccc1F ZINC000272970869 1434945345 /nfs/dbraw/zinc/94/53/45/1434945345.db2.gz HKFGFNMOWUUNGN-KRWDZBQOSA-N 0 1 384.373 3.177 20 0 GGADMN Cc1cc(C2CCN([C@@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)[nH]n1 ZINC000272980850 1434946166 /nfs/dbraw/zinc/94/61/66/1434946166.db2.gz QLMBTHMMRYVQLI-INIZCTEOSA-N 0 1 395.507 3.052 20 0 GGADMN Cc1cc(C2CCN([C@H](C)C(=O)Nc3cccc(N4CCCC4=O)c3)CC2)[nH]n1 ZINC000272980852 1434946399 /nfs/dbraw/zinc/94/63/99/1434946399.db2.gz QLMBTHMMRYVQLI-MRXNPFEDSA-N 0 1 395.507 3.052 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000272984193 1434946897 /nfs/dbraw/zinc/94/68/97/1434946897.db2.gz QVPKBPXSDOIWAY-RXAIFQJESA-N 0 1 387.505 3.040 20 0 GGADMN COc1ccc([C@H](C)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1OC ZINC000272989362 1434947261 /nfs/dbraw/zinc/94/72/61/1434947261.db2.gz KNKXAIXRACZJAA-BLLLJJGKSA-N 0 1 396.409 3.470 20 0 GGADMN COc1ccc([C@H](C)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1OC ZINC000272989366 1434947270 /nfs/dbraw/zinc/94/72/70/1434947270.db2.gz KNKXAIXRACZJAA-LRDDRELGSA-N 0 1 396.409 3.470 20 0 GGADMN COc1cccc([C@@H](C)NC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)c1 ZINC000272996711 1434948312 /nfs/dbraw/zinc/94/83/12/1434948312.db2.gz YJJTZFHUJSPIRN-OAHLLOKOSA-N 0 1 377.481 3.398 20 0 GGADMN Cc1c(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cnn1C1CCCCC1 ZINC000273017921 1434950488 /nfs/dbraw/zinc/95/04/88/1434950488.db2.gz XAVIOHUBXURRNV-UHFFFAOYSA-N 0 1 383.496 3.110 20 0 GGADMN CCOc1cc(CN[C@@H](Cc2ccc(F)cc2)C(N)=O)ccc1OC(F)F ZINC000273029192 1434952605 /nfs/dbraw/zinc/95/26/05/1434952605.db2.gz RUYXQIUSNMZPAR-HNNXBMFYSA-N 0 1 382.382 3.012 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc([S@](C)=O)cc1 ZINC000273032782 1434953013 /nfs/dbraw/zinc/95/30/13/1434953013.db2.gz UUXFWCSLBMFWEJ-LUGWNYHVSA-N 0 1 396.415 3.035 20 0 GGADMN C[C@]1(NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCO[C@@H]1C1CC1 ZINC000273074452 1434957627 /nfs/dbraw/zinc/95/76/27/1434957627.db2.gz PARQJCLWBNOGSO-MJGOQNOKSA-N 0 1 392.546 3.261 20 0 GGADMN CCN(CCCCC(=O)OC(C)(C)C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000273074951 1434957871 /nfs/dbraw/zinc/95/78/71/1434957871.db2.gz WKJCSSDVSFJVHX-UHFFFAOYSA-N 0 1 391.512 3.417 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000273099670 1434960748 /nfs/dbraw/zinc/96/07/48/1434960748.db2.gz OJCNLEVGZRKZFY-MOPGFXCFSA-N 0 1 389.540 3.118 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCC[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000273099670 1434960750 /nfs/dbraw/zinc/96/07/50/1434960750.db2.gz OJCNLEVGZRKZFY-MOPGFXCFSA-N 0 1 389.540 3.118 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2cn[nH]c21)Nc1ccccc1 ZINC000273105860 1434961712 /nfs/dbraw/zinc/96/17/12/1434961712.db2.gz VNTWMPCLSVPMIQ-ROUUACIJSA-N 0 1 396.495 3.173 20 0 GGADMN COc1ccc(C(=O)CCC(=O)Nc2ccc3nc[nH]c3c2)c(OC)c1OC ZINC000273144060 1434966237 /nfs/dbraw/zinc/96/62/37/1434966237.db2.gz UTVRKCSJGMQBNX-UHFFFAOYSA-N 0 1 383.404 3.190 20 0 GGADMN O=C(NCCCn1cccn1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273152327 1434966904 /nfs/dbraw/zinc/96/69/04/1434966904.db2.gz IBSKTDGTUPZDIN-QGZVFWFLSA-N 0 1 385.516 3.028 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1cnn(C)c1 ZINC000273161825 1434967799 /nfs/dbraw/zinc/96/77/99/1434967799.db2.gz CRUVXMWBVQJFGA-GOEBONIOSA-N 0 1 385.516 3.236 20 0 GGADMN CCc1ccc([C@@H](CN2CCOCC2)NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000273160443 1434967881 /nfs/dbraw/zinc/96/78/81/1434967881.db2.gz KGNDWFZLJBKEFQ-HSZRJFAPSA-N 0 1 395.547 3.114 20 0 GGADMN Cn1cc(CCCNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cn1 ZINC000273169540 1434968644 /nfs/dbraw/zinc/96/86/44/1434968644.db2.gz LPGMCIJCLGBMQT-SFHVURJKSA-N 0 1 399.543 3.108 20 0 GGADMN O=C(NCCc1cccnc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273174322 1434969142 /nfs/dbraw/zinc/96/91/42/1434969142.db2.gz MNCIIFBOGKLGHM-GOSISDBHSA-N 0 1 382.512 3.379 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000273179866 1434969640 /nfs/dbraw/zinc/96/96/40/1434969640.db2.gz FZWJBWYCYXGRAS-HNNXBMFYSA-N 0 1 391.516 3.124 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000273194865 1434971220 /nfs/dbraw/zinc/97/12/20/1434971220.db2.gz IRYCRENCJVXQBI-QGZVFWFLSA-N 0 1 393.894 3.263 20 0 GGADMN COc1ccccc1N(CCC(N)=O)C(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000273240352 1434974783 /nfs/dbraw/zinc/97/47/83/1434974783.db2.gz FJPDNXCYWKMOLZ-HNNXBMFYSA-N 0 1 395.459 3.001 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1cc(OC)c(OC)c(OC)c1 ZINC000273242577 1434974988 /nfs/dbraw/zinc/97/49/88/1434974988.db2.gz YYOHCTVAAJJLOA-CQSZACIVSA-N 0 1 389.448 3.115 20 0 GGADMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000273259838 1434976121 /nfs/dbraw/zinc/97/61/21/1434976121.db2.gz STKMXGXRXYCHKW-GXTWGEPZSA-N 0 1 396.413 3.009 20 0 GGADMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000273259840 1434976235 /nfs/dbraw/zinc/97/62/35/1434976235.db2.gz STKMXGXRXYCHKW-JSGCOSHPSA-N 0 1 396.413 3.009 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000273261682 1434976339 /nfs/dbraw/zinc/97/63/39/1434976339.db2.gz FWBHCTPIQVOBQJ-USBFQFRLSA-N 0 1 375.490 3.388 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000273292268 1434978579 /nfs/dbraw/zinc/97/85/79/1434978579.db2.gz ZPGLBQOGSGSZIQ-PKOBYXMFSA-N 0 1 389.540 3.371 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000273292262 1434978583 /nfs/dbraw/zinc/97/85/83/1434978583.db2.gz ZPGLBQOGSGSZIQ-MJGOQNOKSA-N 0 1 389.540 3.371 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c(=O)c2c1 ZINC000273295846 1434978938 /nfs/dbraw/zinc/97/89/38/1434978938.db2.gz TUMPITYWTMUMHH-UHFFFAOYSA-N 0 1 389.455 3.283 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000273316161 1434980252 /nfs/dbraw/zinc/98/02/52/1434980252.db2.gz WJVVXGYLNUGUQW-YWZLYKJASA-N 0 1 391.516 3.124 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273331143 1434981323 /nfs/dbraw/zinc/98/13/23/1434981323.db2.gz YPGVYXGSUPBLBP-QGZVFWFLSA-N 0 1 399.543 3.292 20 0 GGADMN O=C(NCc1cccc(CO)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273333009 1434981529 /nfs/dbraw/zinc/98/15/29/1434981529.db2.gz ZAEPDUCKKDBFTE-IBGZPJMESA-N 0 1 397.523 3.434 20 0 GGADMN O=C(NCCc1ccccn1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273339582 1434981825 /nfs/dbraw/zinc/98/18/25/1434981825.db2.gz MHLISVDMWBBLAF-QGZVFWFLSA-N 0 1 382.512 3.379 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc(CSc2ccccn2)c1)c1cnn(C)c1 ZINC000273371779 1434984037 /nfs/dbraw/zinc/98/40/37/1434984037.db2.gz KZVBAFGCIRLOGA-HNNXBMFYSA-N 0 1 381.505 3.397 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc(CSc2ccccn2)c1)c1cnn(C)c1 ZINC000273371780 1434984048 /nfs/dbraw/zinc/98/40/48/1434984048.db2.gz KZVBAFGCIRLOGA-OAHLLOKOSA-N 0 1 381.505 3.397 20 0 GGADMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OCC)nc2)c1C ZINC000273401597 1434986309 /nfs/dbraw/zinc/98/63/09/1434986309.db2.gz KOPRFTCENWORNH-UHFFFAOYSA-N 0 1 377.466 3.328 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n[nH]1 ZINC000273407646 1434986871 /nfs/dbraw/zinc/98/68/71/1434986871.db2.gz BPMUDIRKARCKOJ-MAZHCROVSA-N 0 1 375.448 3.348 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n[nH]1 ZINC000273407648 1434986878 /nfs/dbraw/zinc/98/68/78/1434986878.db2.gz BPMUDIRKARCKOJ-RCBQFDQVSA-N 0 1 375.448 3.348 20 0 GGADMN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000273416840 1434987418 /nfs/dbraw/zinc/98/74/18/1434987418.db2.gz FREWPAPTXKKKDA-WMLDXEAASA-N 0 1 399.447 3.413 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N[C@H](C)c3cnn(C)c3)ccc2c1 ZINC000273424309 1434988057 /nfs/dbraw/zinc/98/80/57/1434988057.db2.gz WETBJNJUHFCXLJ-CVEARBPZSA-N 0 1 380.492 3.280 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)[C@H]1CCCCS1(=O)=O ZINC000273427395 1434988209 /nfs/dbraw/zinc/98/82/09/1434988209.db2.gz YQTPXOPZLQFXNC-QGZVFWFLSA-N 0 1 387.436 3.275 20 0 GGADMN COc1ccccc1COC[C@H](O)CN[C@@H](COCC(C)C)c1ccco1 ZINC000273473470 1434991038 /nfs/dbraw/zinc/99/10/38/1434991038.db2.gz GKICQHQXRDCTGU-MOPGFXCFSA-N 0 1 377.481 3.169 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273481126 1434991474 /nfs/dbraw/zinc/99/14/74/1434991474.db2.gz IYEFEPLADFHBIT-LBPRGKRZSA-N 0 1 391.518 3.187 20 0 GGADMN CC(=O)Nc1nc(CN[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000273500192 1434992693 /nfs/dbraw/zinc/99/26/93/1434992693.db2.gz MHYRVCMWKHBQKG-JSGCOSHPSA-N 0 1 382.530 3.227 20 0 GGADMN CN(Cc1cn(Cc2cccnc2)nn1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273510627 1434993630 /nfs/dbraw/zinc/99/36/30/1434993630.db2.gz QVRDYUAINIKFJW-LEWJYISDSA-N 0 1 381.455 3.213 20 0 GGADMN CC[C@H](N[C@H](C)CS(=O)(=O)c1ccccc1)[C@H](O)c1c(F)cccc1F ZINC000273510367 1434993633 /nfs/dbraw/zinc/99/36/33/1434993633.db2.gz RRVYCYQNLNUAOG-FMEYXAORSA-N 0 1 383.460 3.229 20 0 GGADMN NC(=O)[C@H](Cc1ccccc1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000273524742 1434994481 /nfs/dbraw/zinc/99/44/81/1434994481.db2.gz TZPYLCCMIYZZFW-NRFANRHFSA-N 0 1 394.519 3.010 20 0 GGADMN CCc1nnc(C)cc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000273545399 1434995788 /nfs/dbraw/zinc/99/57/88/1434995788.db2.gz BFWAKOMSYMOABL-UHFFFAOYSA-N 0 1 376.464 3.152 20 0 GGADMN CN(Cc1nc2ccccc2c(=O)n1C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273552006 1434996269 /nfs/dbraw/zinc/99/62/69/1434996269.db2.gz VLDIUUMGOQUKKN-XLIONFOSSA-N 0 1 381.451 3.425 20 0 GGADMN C[C@@H](NCc1nnc(-c2ccco2)o1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273556663 1434996512 /nfs/dbraw/zinc/99/65/12/1434996512.db2.gz YOCZPVLJZRLUCT-ZIAGYGMSSA-N 0 1 376.457 3.455 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc3cnn(C(C)C)c3nc2Cl)[C@]12CCCO2 ZINC000273557043 1434996702 /nfs/dbraw/zinc/99/67/02/1434996702.db2.gz DIIMJPNEHQFTOU-FRQCXROJSA-N 0 1 378.904 3.482 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc3cnn(C(C)C)c3nc2Cl)[C@]12CCCO2 ZINC000273557061 1434996780 /nfs/dbraw/zinc/99/67/80/1434996780.db2.gz DIIMJPNEHQFTOU-GPMSIDNRSA-N 0 1 378.904 3.482 20 0 GGADMN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000273572854 1434997568 /nfs/dbraw/zinc/99/75/68/1434997568.db2.gz DJXMICVIMAQQCG-KRWDZBQOSA-N 0 1 383.492 3.413 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)Cc1noc2ccccc21 ZINC000273594945 1434998843 /nfs/dbraw/zinc/99/88/43/1434998843.db2.gz IDZFCONJFOGCAC-FXAWDEMLSA-N 0 1 397.500 3.274 20 0 GGADMN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000273622403 1435000328 /nfs/dbraw/zinc/00/03/28/1435000328.db2.gz NHYZMMFGZUBDPC-GFCCVEGCSA-N 0 1 380.473 3.032 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000273625150 1435000612 /nfs/dbraw/zinc/00/06/12/1435000612.db2.gz PFCSAGNEXCWICM-KRWDZBQOSA-N 0 1 378.517 3.364 20 0 GGADMN Cc1nnc2n1C[C@H](CNC(=O)c1cccc3nc(-c4cccs4)[nH]c31)CC2 ZINC000273643314 1435001931 /nfs/dbraw/zinc/00/19/31/1435001931.db2.gz VALKEMIIMYNHCU-ZDUSSCGKSA-N 0 1 392.488 3.184 20 0 GGADMN CCOc1ccccc1C(=O)NCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000273665697 1435003627 /nfs/dbraw/zinc/00/36/27/1435003627.db2.gz WVQKKGVQRGEPIC-UHFFFAOYSA-N 0 1 398.507 3.033 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1ccccc1-c1noc(-c2ccc(F)cc2F)n1 ZINC000273730450 1435008713 /nfs/dbraw/zinc/00/87/13/1435008713.db2.gz AFSMTUOMVFHOPW-KRWDZBQOSA-N 0 1 384.386 3.132 20 0 GGADMN COc1ccc(-c2cc(-c3nc(CCNC(=O)OC(C)(C)C)no3)[nH]n2)cc1 ZINC000273753449 1435010823 /nfs/dbraw/zinc/01/08/23/1435010823.db2.gz RRZUCVKZXPLORQ-UHFFFAOYSA-N 0 1 385.424 3.203 20 0 GGADMN COC(=O)C[C@H](C)c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000273764130 1435011978 /nfs/dbraw/zinc/01/19/78/1435011978.db2.gz AZVFZXUXSIZFLB-ZDUSSCGKSA-N 0 1 392.887 3.199 20 0 GGADMN CCCN(CCC)C(=O)CCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000273777459 1435013351 /nfs/dbraw/zinc/01/33/51/1435013351.db2.gz FQSMCSKDEZUZRX-UHFFFAOYSA-N 0 1 382.468 3.027 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(CNC(C)=O)cc2)CCN1Cc1ccccc1 ZINC000273779057 1435013530 /nfs/dbraw/zinc/01/35/30/1435013530.db2.gz WXERNASWAATSHI-QFIPXVFZSA-N 0 1 394.519 3.451 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1ccccc1-c1noc(-c2cc(F)cc(F)c2)n1 ZINC000273787155 1435014274 /nfs/dbraw/zinc/01/42/74/1435014274.db2.gz GJNYQZOGHDVGEQ-QGZVFWFLSA-N 0 1 384.386 3.132 20 0 GGADMN CS(=O)(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cc1 ZINC000273792027 1435014746 /nfs/dbraw/zinc/01/47/46/1435014746.db2.gz UKIJDJLYSHVQIR-SFHVURJKSA-N 0 1 398.488 3.445 20 0 GGADMN CC(C)c1ncc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)s1 ZINC000273795968 1435015320 /nfs/dbraw/zinc/01/53/20/1435015320.db2.gz HEAYBJZXIBOQCH-OAHLLOKOSA-N 0 1 397.504 3.433 20 0 GGADMN CC(C)COc1ccccc1-c1noc(CN(C)c2ncnc3[nH]cnc32)n1 ZINC000273805865 1435016186 /nfs/dbraw/zinc/01/61/86/1435016186.db2.gz VHIUWPHKGQXYNZ-UHFFFAOYSA-N 0 1 379.424 3.074 20 0 GGADMN CC(C)(C)OC(=O)NCC(C)(C)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000273842958 1435020397 /nfs/dbraw/zinc/02/03/97/1435020397.db2.gz KVYMFRGPEOBHIM-UHFFFAOYSA-N 0 1 398.467 3.248 20 0 GGADMN COc1cccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)c1F ZINC000273841851 1435020463 /nfs/dbraw/zinc/02/04/63/1435020463.db2.gz KNNVICHYPWKLFO-MRXNPFEDSA-N 0 1 396.422 3.001 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273844388 1435020627 /nfs/dbraw/zinc/02/06/27/1435020627.db2.gz IJUFPMFBJSPWDS-GOSISDBHSA-N 0 1 389.459 3.244 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1ccccc1-c1noc(-c2cc(F)ccc2F)n1 ZINC000273860026 1435022632 /nfs/dbraw/zinc/02/26/32/1435022632.db2.gz MCAAZXUMPMYKHM-KRWDZBQOSA-N 0 1 384.386 3.132 20 0 GGADMN CC(C)(C)c1cc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)no1 ZINC000273863629 1435023074 /nfs/dbraw/zinc/02/30/74/1435023074.db2.gz MJHCOOOWUFAOBE-MRXNPFEDSA-N 0 1 395.463 3.139 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCCC[C@@H]2c2ccccc2)CC1 ZINC000273869067 1435023644 /nfs/dbraw/zinc/02/36/44/1435023644.db2.gz PSKMODPQUCCLRJ-OAQYLSRUSA-N 0 1 385.552 3.319 20 0 GGADMN COc1cc(CCc2nc(-c3ccc4[nH]cnc4c3)no2)cc(OC)c1OC ZINC000273870558 1435023870 /nfs/dbraw/zinc/02/38/70/1435023870.db2.gz KCFBGATTXJLNPP-UHFFFAOYSA-N 0 1 380.404 3.424 20 0 GGADMN Cc1ccc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)c(O)c1C ZINC000273884206 1435025044 /nfs/dbraw/zinc/02/50/44/1435025044.db2.gz NZRJAJGWAQCLQL-SFHVURJKSA-N 0 1 392.459 3.176 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)[nH]n1 ZINC000273927030 1435029275 /nfs/dbraw/zinc/02/92/75/1435029275.db2.gz WODZSYKTRGDGJD-UHFFFAOYSA-N 0 1 391.435 3.470 20 0 GGADMN COc1ccccc1C(=O)C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273952324 1435031688 /nfs/dbraw/zinc/03/16/88/1435031688.db2.gz HOEUPKWTYSHBQQ-INIZCTEOSA-N 0 1 396.491 3.450 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)[nH]n1 ZINC000273955269 1435031932 /nfs/dbraw/zinc/03/19/32/1435031932.db2.gz ZIKCFVLRRFEWSP-UHFFFAOYSA-N 0 1 391.435 3.470 20 0 GGADMN Cc1noc(C)c1CSCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000274022775 1435037735 /nfs/dbraw/zinc/03/77/35/1435037735.db2.gz SIBADPPBMLINOA-UHFFFAOYSA-N 0 1 382.449 3.484 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000274180953 1435049252 /nfs/dbraw/zinc/04/92/52/1435049252.db2.gz KEYPLVMYEBTOEG-INIZCTEOSA-N 0 1 391.493 3.114 20 0 GGADMN O=C(CN1CCN(CCCC2CCOCC2)CC1)Nc1ccccc1Cl ZINC000274187928 1435049749 /nfs/dbraw/zinc/04/97/49/1435049749.db2.gz HGPISKGRDRBEFC-UHFFFAOYSA-N 0 1 379.932 3.103 20 0 GGADMN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274204852 1435051331 /nfs/dbraw/zinc/05/13/31/1435051331.db2.gz LVFKHAWDLBCBJC-RBUKOAKNSA-N 0 1 395.507 3.318 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000274275280 1435056955 /nfs/dbraw/zinc/05/69/55/1435056955.db2.gz MVTFDHZUVRADRS-FQEVSTJZSA-N 0 1 393.553 3.283 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C(C)=O)cc1 ZINC000274306635 1435059921 /nfs/dbraw/zinc/05/99/21/1435059921.db2.gz BDFCJQABYFCMBU-HUUCEWRRSA-N 0 1 398.459 3.119 20 0 GGADMN COCc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cnn1-c1ccccc1 ZINC000274311305 1435060384 /nfs/dbraw/zinc/06/03/84/1435060384.db2.gz XMFGTWLSNDBFOR-IBGZPJMESA-N 0 1 390.487 3.023 20 0 GGADMN Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000274311303 1435060489 /nfs/dbraw/zinc/06/04/89/1435060489.db2.gz XLYUVFYTFSVPQI-UHFFFAOYSA-N 0 1 393.484 3.134 20 0 GGADMN COc1cc2c(cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C)NC(=O)CC2 ZINC000274318716 1435061262 /nfs/dbraw/zinc/06/12/62/1435061262.db2.gz BZOUFZRDAJYPGU-INIZCTEOSA-N 0 1 388.493 3.066 20 0 GGADMN O=C(NCc1ccccc1)[C@H](NCCc1cn2c(n1)SCC2)c1ccccc1 ZINC000274327118 1435062088 /nfs/dbraw/zinc/06/20/88/1435062088.db2.gz HYYRBXUSWPFCIU-HXUWFJFHSA-N 0 1 392.528 3.179 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](c3n[nH]c(C4CC4)n3)C1)CCO2 ZINC000274329415 1435062172 /nfs/dbraw/zinc/06/21/72/1435062172.db2.gz FOUZDKCKBXKCMP-PBHICJAKSA-N 0 1 397.479 3.104 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000274342949 1435063370 /nfs/dbraw/zinc/06/33/70/1435063370.db2.gz BMMVOYWPEIAJPS-INIZCTEOSA-N 0 1 385.516 3.090 20 0 GGADMN Cc1ccc2nc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC(=O)N4)[nH]c2c1 ZINC000274346532 1435063723 /nfs/dbraw/zinc/06/37/23/1435063723.db2.gz NYQNUZUEAQDXKV-UHFFFAOYSA-N 0 1 390.443 3.035 20 0 GGADMN COc1ccc(F)cc1NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274362964 1435065359 /nfs/dbraw/zinc/06/53/59/1435065359.db2.gz WXXYUFSZSUXKFJ-LBPRGKRZSA-N 0 1 399.415 3.190 20 0 GGADMN Cc1c([C@H](C)NCCc2cn3c(n2)SCC3)nnn1-c1cccc(Cl)c1 ZINC000274378789 1435066592 /nfs/dbraw/zinc/06/65/92/1435066592.db2.gz MHENEFHKSIBEEO-LBPRGKRZSA-N 0 1 388.928 3.425 20 0 GGADMN CC(C)[C@@H](N[C@H](C)CCN1C(=O)c2ccccc2C1=O)c1nc(C2CC2)no1 ZINC000274421298 1435069642 /nfs/dbraw/zinc/06/96/42/1435069642.db2.gz YECUBAHMQYCQLL-CXAGYDPISA-N 0 1 382.464 3.309 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCc2cc(C(=O)OC)ccc2F)cc1 ZINC000274422589 1435069730 /nfs/dbraw/zinc/06/97/30/1435069730.db2.gz FCGNPQPIUTUWJV-ZDUSSCGKSA-N 0 1 375.396 3.015 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000274439253 1435070879 /nfs/dbraw/zinc/07/08/79/1435070879.db2.gz IMOCTPMDVZAXBE-LSDHHAIUSA-N 0 1 398.459 3.119 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000274439250 1435070922 /nfs/dbraw/zinc/07/09/22/1435070922.db2.gz IMOCTPMDVZAXBE-CABCVRRESA-N 0 1 398.459 3.119 20 0 GGADMN C[C@H](CCN1CCN(C)CC1)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000274445183 1435071528 /nfs/dbraw/zinc/07/15/28/1435071528.db2.gz HNDXXFFCHGQQJR-CQSZACIVSA-N 0 1 388.516 3.035 20 0 GGADMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)CCO2 ZINC000274452294 1435072131 /nfs/dbraw/zinc/07/21/31/1435072131.db2.gz ZALPSFOOBNVYLQ-ACJLOTCBSA-N 0 1 376.478 3.241 20 0 GGADMN OCC[C@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000274464344 1435072826 /nfs/dbraw/zinc/07/28/26/1435072826.db2.gz YAHIMZKOIWCLAG-SFTDATJTSA-N 0 1 381.472 3.460 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000274500380 1435075204 /nfs/dbraw/zinc/07/52/04/1435075204.db2.gz HZANWHMESFQJCY-INIZCTEOSA-N 0 1 399.495 3.065 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000274507650 1435075342 /nfs/dbraw/zinc/07/53/42/1435075342.db2.gz AVBPUWIHGWQDOH-GFCCVEGCSA-N 0 1 377.803 3.071 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000274525675 1435076553 /nfs/dbraw/zinc/07/65/53/1435076553.db2.gz AACJDZWBFSCMFW-KBPBESRZSA-N 0 1 382.386 3.369 20 0 GGADMN COCc1ccc([C@@H]2CCCN2C[C@@H](O)COc2c(OC)cccc2OC)o1 ZINC000274539446 1435077499 /nfs/dbraw/zinc/07/74/99/1435077499.db2.gz ZWYMEBCADDPRSL-WBVHZDCISA-N 0 1 391.464 3.020 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000274553782 1435078183 /nfs/dbraw/zinc/07/81/83/1435078183.db2.gz VFQSALZBQBHCQK-UHFFFAOYSA-N 0 1 379.363 3.419 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000274577068 1435078898 /nfs/dbraw/zinc/07/88/98/1435078898.db2.gz NPBJKRWXGZUCPQ-STQMWFEESA-N 0 1 382.386 3.369 20 0 GGADMN COc1cccc(OC)c1OC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000274578848 1435079184 /nfs/dbraw/zinc/07/91/84/1435079184.db2.gz GLULCJUAKMLVDB-UHFFFAOYSA-N 0 1 375.396 3.232 20 0 GGADMN COc1cc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)ccc1OC(C)C ZINC000274586205 1435079569 /nfs/dbraw/zinc/07/95/69/1435079569.db2.gz PJOYFIQDNDQFMP-UHFFFAOYSA-N 0 1 396.447 3.110 20 0 GGADMN COCCOc1ccc([C@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)cc1 ZINC000274598267 1435080132 /nfs/dbraw/zinc/08/01/32/1435080132.db2.gz HBGXCDRIKOICRB-INIZCTEOSA-N 0 1 382.464 3.260 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc(C(OC)OC)o2)N2CCCC2)cc1 ZINC000274597430 1435080163 /nfs/dbraw/zinc/08/01/63/1435080163.db2.gz SFPRXIKMOTUGKD-QGZVFWFLSA-N 0 1 388.464 3.147 20 0 GGADMN Cc1n[nH]cc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000274606343 1435080538 /nfs/dbraw/zinc/08/05/38/1435080538.db2.gz MLWWBRMYTUVEML-GUYCJALGSA-N 0 1 379.867 3.003 20 0 GGADMN Cc1n[nH]cc1CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000274606344 1435080576 /nfs/dbraw/zinc/08/05/76/1435080576.db2.gz MLWWBRMYTUVEML-SUMWQHHRSA-N 0 1 379.867 3.003 20 0 GGADMN CCOc1ccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1OC ZINC000274603952 1435080659 /nfs/dbraw/zinc/08/06/59/1435080659.db2.gz OLLMJRQZWJODIT-UHFFFAOYSA-N 0 1 397.435 3.113 20 0 GGADMN Cc1n[nH]cc1CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000274606342 1435080674 /nfs/dbraw/zinc/08/06/74/1435080674.db2.gz MLWWBRMYTUVEML-DYVFJYSZSA-N 0 1 379.867 3.003 20 0 GGADMN COc1ccc(OC)c(NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1 ZINC000274629098 1435081975 /nfs/dbraw/zinc/08/19/75/1435081975.db2.gz XJCZSPPRVMMFEW-UHFFFAOYSA-N 0 1 396.447 3.455 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@@H](c2ccccc2F)C1 ZINC000274668145 1435084270 /nfs/dbraw/zinc/08/42/70/1435084270.db2.gz OTNBJCAEJBOAAT-OAHLLOKOSA-N 0 1 395.438 3.222 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N(C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000274676301 1435084813 /nfs/dbraw/zinc/08/48/13/1435084813.db2.gz YWWVEOWDJFQCTR-IBGZPJMESA-N 0 1 396.491 3.231 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000274684243 1435085229 /nfs/dbraw/zinc/08/52/29/1435085229.db2.gz SGWIUWLKMOCRNQ-INIZCTEOSA-N 0 1 395.438 3.222 20 0 GGADMN CN(C)C(=O)C[C@H]1CN(C(=O)c2c(O)cccc2F)c2ccc(Cl)cc21 ZINC000274707736 1435086828 /nfs/dbraw/zinc/08/68/28/1435086828.db2.gz SKYKGOWKMOKVGI-NSHDSACASA-N 0 1 376.815 3.407 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274709052 1435086834 /nfs/dbraw/zinc/08/68/34/1435086834.db2.gz ZCUIVTVHNDKUFU-UHFFFAOYSA-N 0 1 376.464 3.024 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274707995 1435086843 /nfs/dbraw/zinc/08/68/43/1435086843.db2.gz YRKPZVRRMZZBAV-UHFFFAOYSA-N 0 1 382.493 3.086 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000274733186 1435088260 /nfs/dbraw/zinc/08/82/60/1435088260.db2.gz UOGCIHCSQYCWMB-KRWDZBQOSA-N 0 1 378.831 3.321 20 0 GGADMN CCN(Cc1cccc(NC(=O)N(C)Cc2nnc[nH]2)c1)C(=O)OC(C)(C)C ZINC000274799082 1435093466 /nfs/dbraw/zinc/09/34/66/1435093466.db2.gz QGCJUFNJRIEVLT-UHFFFAOYSA-N 0 1 388.472 3.226 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(c2nnc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000274816710 1435095020 /nfs/dbraw/zinc/09/50/20/1435095020.db2.gz AMSBGJFMQSCQKP-HZPDHXFCSA-N 0 1 399.514 3.199 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274820240 1435095466 /nfs/dbraw/zinc/09/54/66/1435095466.db2.gz BCFFFFKUVGGTRP-DLBZAZTESA-N 0 1 393.535 3.160 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274820246 1435095516 /nfs/dbraw/zinc/09/55/16/1435095516.db2.gz BCFFFFKUVGGTRP-IAGOWNOFSA-N 0 1 393.535 3.160 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@]1(C)CCCO)N1CCCC1 ZINC000274824179 1435095746 /nfs/dbraw/zinc/09/57/46/1435095746.db2.gz FNOLXSZBMIDLMI-SIKLNZKXSA-N 0 1 389.540 3.169 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCCCCCSC)N(C)C)cc1OC ZINC000274824122 1435095765 /nfs/dbraw/zinc/09/57/65/1435095765.db2.gz QRUUECICIQKWAA-MRXNPFEDSA-N 0 1 383.558 3.139 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCC[C@]2(C)CCCO)N2CCCC2)c1 ZINC000274835291 1435096490 /nfs/dbraw/zinc/09/64/90/1435096490.db2.gz IQWDUWPSIBAHCC-IFMALSPDSA-N 0 1 389.540 3.169 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC[C@]2(C)CCCO)N2CCCC2)c1 ZINC000274835301 1435096522 /nfs/dbraw/zinc/09/65/22/1435096522.db2.gz IQWDUWPSIBAHCC-RBBKRZOGSA-N 0 1 389.540 3.169 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000274853767 1435098057 /nfs/dbraw/zinc/09/80/57/1435098057.db2.gz RUXJLBLXVOIZQH-URXFXBBRSA-N 0 1 394.515 3.446 20 0 GGADMN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274864164 1435098912 /nfs/dbraw/zinc/09/89/12/1435098912.db2.gz CCISNSHBGOVOOX-QGZVFWFLSA-N 0 1 393.535 3.162 20 0 GGADMN c1cc(-c2nnc3ccc(N4CCC[C@H](c5nc(C6CC6)n[nH]5)C4)nn32)cs1 ZINC000274883554 1435100909 /nfs/dbraw/zinc/10/09/09/1435100909.db2.gz IBDOCBQVJRYQFH-ZDUSSCGKSA-N 0 1 392.492 3.232 20 0 GGADMN c1cc(-c2nnc3ccc(N4CCC[C@H](c5n[nH]c(C6CC6)n5)C4)nn32)cs1 ZINC000274883554 1435100911 /nfs/dbraw/zinc/10/09/11/1435100911.db2.gz IBDOCBQVJRYQFH-ZDUSSCGKSA-N 0 1 392.492 3.232 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)n[nH]1 ZINC000274903059 1435102437 /nfs/dbraw/zinc/10/24/37/1435102437.db2.gz HQWYFABUWUDEGV-MADCSZMMSA-N 0 1 377.317 3.309 20 0 GGADMN C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000274914165 1435103183 /nfs/dbraw/zinc/10/31/83/1435103183.db2.gz VKMIHWBIZUUKAM-KBXCAEBGSA-N 0 1 393.503 3.048 20 0 GGADMN C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000274914168 1435103214 /nfs/dbraw/zinc/10/32/14/1435103214.db2.gz VKMIHWBIZUUKAM-RDTXWAMCSA-N 0 1 393.503 3.048 20 0 GGADMN COc1cc(CNCc2cc(F)cc(Cl)c2)ccc1OCC(=O)N(C)C ZINC000274938403 1435104499 /nfs/dbraw/zinc/10/44/99/1435104499.db2.gz APLLACYHLXQRSL-UHFFFAOYSA-N 0 1 380.847 3.245 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000275022028 1435110602 /nfs/dbraw/zinc/11/06/02/1435110602.db2.gz INWLIWYJRUPKFC-ZDUSSCGKSA-N 0 1 390.944 3.159 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000275028260 1435110925 /nfs/dbraw/zinc/11/09/25/1435110925.db2.gz VRXCTTXEDGZIDN-OAQYLSRUSA-N 0 1 395.551 3.404 20 0 GGADMN CCSc1cc(CNCc2ccccc2OCC(=O)NCC2CC2)ccn1 ZINC000275039254 1435111786 /nfs/dbraw/zinc/11/17/86/1435111786.db2.gz GFFUXZZLXVBXJL-UHFFFAOYSA-N 0 1 385.533 3.388 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275071703 1435114336 /nfs/dbraw/zinc/11/43/36/1435114336.db2.gz AERIKWPLFGDCCS-BBRMVZONSA-N 0 1 393.409 3.167 20 0 GGADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275071705 1435114386 /nfs/dbraw/zinc/11/43/86/1435114386.db2.gz AERIKWPLFGDCCS-CZUORRHYSA-N 0 1 393.409 3.167 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000275077345 1435114664 /nfs/dbraw/zinc/11/46/64/1435114664.db2.gz CZMZQAUHAPXIKE-HOTGVXAUSA-N 0 1 378.835 3.363 20 0 GGADMN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000275086037 1435115370 /nfs/dbraw/zinc/11/53/70/1435115370.db2.gz GFOOPENCWTYBRW-LBPRGKRZSA-N 0 1 387.789 3.495 20 0 GGADMN Cc1ccccc1-c1noc([C@H](C)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000275090197 1435115534 /nfs/dbraw/zinc/11/55/34/1435115534.db2.gz HMTMGKBOXCNICQ-STQMWFEESA-N 0 1 382.386 3.106 20 0 GGADMN Cc1ccccc1-c1noc([C@@H](C)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000275090192 1435115649 /nfs/dbraw/zinc/11/56/49/1435115649.db2.gz HMTMGKBOXCNICQ-CHWSQXEVSA-N 0 1 382.386 3.106 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275107809 1435116615 /nfs/dbraw/zinc/11/66/15/1435116615.db2.gz MDMRNLFZBNFKIO-HIFRSBDPSA-N 0 1 393.409 3.167 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275128217 1435117856 /nfs/dbraw/zinc/11/78/56/1435117856.db2.gz RMRZHUKDXJLZAW-HUUCEWRRSA-N 0 1 399.457 3.446 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275134200 1435118410 /nfs/dbraw/zinc/11/84/10/1435118410.db2.gz MSWAQEMXNNTDFT-UHFFFAOYSA-N 0 1 384.823 3.067 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000275150549 1435119149 /nfs/dbraw/zinc/11/91/49/1435119149.db2.gz XTKJDJHKJJOKPD-GFCCVEGCSA-N 0 1 387.789 3.495 20 0 GGADMN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000275150553 1435119376 /nfs/dbraw/zinc/11/93/76/1435119376.db2.gz XTKJDJHKJJOKPD-LBPRGKRZSA-N 0 1 387.789 3.495 20 0 GGADMN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275158046 1435119569 /nfs/dbraw/zinc/11/95/69/1435119569.db2.gz ZXFVHJHQSAFWHK-ZIAGYGMSSA-N 0 1 385.430 3.137 20 0 GGADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275158040 1435119690 /nfs/dbraw/zinc/11/96/90/1435119690.db2.gz ZXFVHJHQSAFWHK-KBPBESRZSA-N 0 1 385.430 3.137 20 0 GGADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275158044 1435119700 /nfs/dbraw/zinc/11/97/00/1435119700.db2.gz ZXFVHJHQSAFWHK-UONOGXRCSA-N 0 1 385.430 3.137 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)n[nH]1 ZINC000275186348 1435121338 /nfs/dbraw/zinc/12/13/38/1435121338.db2.gz ZSVCIVXURUCCQB-SNVBAGLBSA-N 0 1 375.864 3.029 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nc2ccccc2n1C(F)F ZINC000275243853 1435125412 /nfs/dbraw/zinc/12/54/12/1435125412.db2.gz FPZXTPDTIHCOHR-KSSFIOAISA-N 0 1 375.423 3.402 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1c(C)cccc1Cl ZINC000275258736 1435126460 /nfs/dbraw/zinc/12/64/60/1435126460.db2.gz HREKKKIWICKDMS-KXBFYZLASA-N 0 1 376.888 3.057 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000275270365 1435127414 /nfs/dbraw/zinc/12/74/14/1435127414.db2.gz JBKGFVGOKUQDEI-YJBOKZPZSA-N 0 1 397.306 3.402 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1cc(COC(C)(C)C)on1)c1ccco1 ZINC000275283835 1435128417 /nfs/dbraw/zinc/12/84/17/1435128417.db2.gz NNNSKWGEMBGNFZ-QGZVFWFLSA-N 0 1 392.500 3.465 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3csc([C@@H]4CCCO4)n3)C1)CCCC2 ZINC000275289080 1435129010 /nfs/dbraw/zinc/12/90/10/1435129010.db2.gz LPUDEBAWENGRGL-KSSFIOAISA-N 0 1 386.521 3.466 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cnn1C ZINC000275302891 1435129820 /nfs/dbraw/zinc/12/98/20/1435129820.db2.gz AYSONIUSXDRHRA-KYNGSXCRSA-N 0 1 395.463 3.173 20 0 GGADMN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCc1cc(COC(C)(C)C)on1 ZINC000275308515 1435130214 /nfs/dbraw/zinc/13/02/14/1435130214.db2.gz REAUMRVVPLPMSI-AWEZNQCLSA-N 0 1 385.464 3.154 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc(C)nc(C(F)(F)F)n3)C1)CCCC2 ZINC000275311802 1435130598 /nfs/dbraw/zinc/13/05/98/1435130598.db2.gz NTLKACPMSYFDGW-CYBMUJFWSA-N 0 1 393.413 3.275 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cnn(-c4ccccc4)c3)C1)CCCC2 ZINC000275314010 1435130770 /nfs/dbraw/zinc/13/07/70/1435130770.db2.gz NZSLECXDMFVVIN-IBGZPJMESA-N 0 1 375.476 3.343 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000275319325 1435130942 /nfs/dbraw/zinc/13/09/42/1435130942.db2.gz ZQVWPCOZADDNNE-UHFFFAOYSA-N 0 1 379.526 3.107 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000275325921 1435131593 /nfs/dbraw/zinc/13/15/93/1435131593.db2.gz LUCMFWHKBKELNN-QGZVFWFLSA-N 0 1 381.398 3.047 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275385762 1435135604 /nfs/dbraw/zinc/13/56/04/1435135604.db2.gz QMBWAZIADYKUGF-IBGZPJMESA-N 0 1 394.519 3.249 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275385769 1435135712 /nfs/dbraw/zinc/13/57/12/1435135712.db2.gz QMBWAZIADYKUGF-LJQANCHMSA-N 0 1 394.519 3.249 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(-c4ncon4)cc3)C1)CCCC2 ZINC000275391042 1435136066 /nfs/dbraw/zinc/13/60/66/1435136066.db2.gz QVWCYJOVQOWXER-KRWDZBQOSA-N 0 1 377.448 3.208 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(-c4ncon4)cc3)C1)CCCC2 ZINC000275391049 1435136126 /nfs/dbraw/zinc/13/61/26/1435136126.db2.gz QVWCYJOVQOWXER-QGZVFWFLSA-N 0 1 377.448 3.208 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc(F)cc4nccnc43)C1)CCCC2 ZINC000275426123 1435138524 /nfs/dbraw/zinc/13/85/24/1435138524.db2.gz UFXMJVKJTKEHJQ-OAHLLOKOSA-N 0 1 379.439 3.240 20 0 GGADMN Cc1noc2nc(C)cc(C(=O)N3CC[C@H](n4c(C)nc5c4CCCC5)C3)c12 ZINC000275436014 1435139156 /nfs/dbraw/zinc/13/91/56/1435139156.db2.gz UYYAEXPRWWNLQC-HNNXBMFYSA-N 0 1 379.464 3.311 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cccc(NC(=O)N(C)C)c3)C1)CCCC2 ZINC000275439266 1435139352 /nfs/dbraw/zinc/13/93/52/1435139352.db2.gz DHUKFWZFIMCRMO-GOSISDBHSA-N 0 1 395.507 3.251 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@](C)(O)[C@H](C)c3ccccc3)C1)CCCC2 ZINC000275449452 1435139892 /nfs/dbraw/zinc/13/98/92/1435139892.db2.gz DYRGQRZPKLAIIE-HFXUHXBXSA-N 0 1 381.520 3.398 20 0 GGADMN C[C@@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000275469098 1435141404 /nfs/dbraw/zinc/14/14/04/1435141404.db2.gz IROICENYFOIYPK-LLVKDONJSA-N 0 1 393.369 3.242 20 0 GGADMN COc1ccc(C)cc1NC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000275524345 1435145455 /nfs/dbraw/zinc/14/54/55/1435145455.db2.gz KZKAFNWRZYZWOP-UHFFFAOYSA-N 0 1 399.516 3.130 20 0 GGADMN CC(=O)N1CCN(c2cccc(NC(=O)c3c[nH]nc3-c3ccsc3)c2)CC1 ZINC000275562783 1435148620 /nfs/dbraw/zinc/14/86/20/1435148620.db2.gz MUWDDJZLWQUDQO-UHFFFAOYSA-N 0 1 395.488 3.059 20 0 GGADMN CSc1nnc(CNC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)s1 ZINC000275567158 1435148985 /nfs/dbraw/zinc/14/89/85/1435148985.db2.gz AMNHDKMHHONIDG-ZDUSSCGKSA-N 0 1 388.522 3.491 20 0 GGADMN CCOc1ccc(-c2nc(CN(CCO)C3CCOCC3)cs2)cc1OC ZINC000275593213 1435151303 /nfs/dbraw/zinc/15/13/03/1435151303.db2.gz QVMYMDFIVWIKDP-UHFFFAOYSA-N 0 1 392.521 3.191 20 0 GGADMN CSCc1cccc(CNC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000275608251 1435152417 /nfs/dbraw/zinc/15/24/17/1435152417.db2.gz IYCRPUXQZTYZFQ-UHFFFAOYSA-N 0 1 397.504 3.246 20 0 GGADMN CN1CCN(C(=O)c2ccc(CNCc3ccc(Cl)cc3F)cc2)CC1 ZINC000275610988 1435152717 /nfs/dbraw/zinc/15/27/17/1435152717.db2.gz MZRRJMJNGVMUCA-UHFFFAOYSA-N 0 1 375.875 3.157 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000275629677 1435154345 /nfs/dbraw/zinc/15/43/45/1435154345.db2.gz LHXJHLZLHIZUJZ-CQSZACIVSA-N 0 1 395.594 3.474 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN(C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000275637136 1435155303 /nfs/dbraw/zinc/15/53/03/1435155303.db2.gz ABRRJBOUQCFPKI-QGZVFWFLSA-N 0 1 385.483 3.194 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](n4c(C)nc5c4CCCC5)C3)[nH]n2)o1 ZINC000275637747 1435155307 /nfs/dbraw/zinc/15/53/07/1435155307.db2.gz MNECKAGGLYGQPE-OAHLLOKOSA-N 0 1 379.464 3.449 20 0 GGADMN COC(=O)[C@H](Cc1ccc(Cl)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000275655024 1435156950 /nfs/dbraw/zinc/15/69/50/1435156950.db2.gz CUMSPZSBUNRNJE-FQEVSTJZSA-N 0 1 387.911 3.073 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1(C)C ZINC000275663917 1435157789 /nfs/dbraw/zinc/15/77/89/1435157789.db2.gz NFHMYLXPZGLVJH-APWZRJJASA-N 0 1 397.972 3.364 20 0 GGADMN O=S(=O)(Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1ccco1 ZINC000275671128 1435158541 /nfs/dbraw/zinc/15/85/41/1435158541.db2.gz GDEJVJCOFFQSIF-UHFFFAOYSA-N 0 1 394.403 3.344 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000275675093 1435158691 /nfs/dbraw/zinc/15/86/91/1435158691.db2.gz NREUDBZPYRFVSP-UHFFFAOYSA-N 0 1 397.866 3.199 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)c3c[nH]nc3-c3ccsc3)cn2)C[C@@H](C)O1 ZINC000275711035 1435161834 /nfs/dbraw/zinc/16/18/34/1435161834.db2.gz SBWCUXIOVAVKAI-CHWSQXEVSA-N 0 1 383.477 3.399 20 0 GGADMN CC[C@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1nc(C(F)(F)F)cs1 ZINC000275788472 1435169573 /nfs/dbraw/zinc/16/95/73/1435169573.db2.gz NULIUQUGCNRRLY-JTQLQIEISA-N 0 1 384.387 3.167 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cccc(C[S@](C)=O)c3)C1)CCCC2 ZINC000275798235 1435170582 /nfs/dbraw/zinc/17/05/82/1435170582.db2.gz XMHKLBYSCCRARB-MYUZEXMDSA-N 0 1 385.533 3.036 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC[NH+](C)C)ccc1Cl ZINC000275806292 1435171382 /nfs/dbraw/zinc/17/13/82/1435171382.db2.gz PIBVDXJAEIAJHJ-UHFFFAOYSA-N 0 1 396.896 3.032 20 0 GGADMN Cc1cc(N2CCC(N[C@H](C)c3nnn(-c4ccc(F)cc4)c3C)CC2)n[nH]1 ZINC000275859588 1435175323 /nfs/dbraw/zinc/17/53/23/1435175323.db2.gz IXRWTNGKKYGOGF-CQSZACIVSA-N 0 1 383.475 3.066 20 0 GGADMN CN1CCCN(c2ccc(-c3noc(C4(O)CCCC4)n3)cc2Cl)CC1 ZINC000275863245 1435175422 /nfs/dbraw/zinc/17/54/22/1435175422.db2.gz XWBVSEIVGBRZIN-UHFFFAOYSA-N 0 1 376.888 3.294 20 0 GGADMN CCOC(=O)COc1ccc(CCN[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000275908912 1435178988 /nfs/dbraw/zinc/17/89/88/1435178988.db2.gz UEJPFWGGBPYOFB-NRFANRHFSA-N 0 1 379.460 3.273 20 0 GGADMN CCOC(=O)COc1ccc(CCN[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000275908915 1435179010 /nfs/dbraw/zinc/17/90/10/1435179010.db2.gz UEJPFWGGBPYOFB-OAQYLSRUSA-N 0 1 379.460 3.273 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cn1 ZINC000275919594 1435179760 /nfs/dbraw/zinc/17/97/60/1435179760.db2.gz GCENOVUTXRQZNP-CYBMUJFWSA-N 0 1 396.520 3.165 20 0 GGADMN C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275946737 1435181688 /nfs/dbraw/zinc/18/16/88/1435181688.db2.gz LRHSDYZTVFDIPI-IRXDYDNUSA-N 0 1 395.507 3.324 20 0 GGADMN C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275946724 1435181692 /nfs/dbraw/zinc/18/16/92/1435181692.db2.gz LRHSDYZTVFDIPI-DLBZAZTESA-N 0 1 395.507 3.324 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC([C@@H]4CCCO4)CC3)n[nH]2)cc1OC ZINC000275966614 1435182917 /nfs/dbraw/zinc/18/29/17/1435182917.db2.gz DYFFTFUTFGBMHC-SFHVURJKSA-N 0 1 385.464 3.125 20 0 GGADMN COc1ccc2c(c1)[C@H](NCc1cccc(C(=O)N3CCOCC3)c1)CCS2 ZINC000276074293 1435189453 /nfs/dbraw/zinc/18/94/53/1435189453.db2.gz AHLPTNMTZWECLA-HXUWFJFHSA-N 0 1 398.528 3.494 20 0 GGADMN Cn1cc([C@@H](NCCOCC(F)(F)C(F)(F)F)c2ccc(F)cc2)cn1 ZINC000276100245 1435190889 /nfs/dbraw/zinc/19/08/89/1435190889.db2.gz SFJHKLHIYZODDV-AWEZNQCLSA-N 0 1 381.320 3.452 20 0 GGADMN CCOC(=O)c1csc(CCN[C@H](C(=O)N(CC)CC)c2ccccc2)n1 ZINC000276132130 1435193045 /nfs/dbraw/zinc/19/30/45/1435193045.db2.gz BHFSNDGBMDEPLU-SFHVURJKSA-N 0 1 389.521 3.062 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N(CCO)C1CCC1 ZINC000276135713 1435193353 /nfs/dbraw/zinc/19/33/53/1435193353.db2.gz OTAJGISZMVOWDM-UHFFFAOYSA-N 0 1 379.932 3.108 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276158364 1435194537 /nfs/dbraw/zinc/19/45/37/1435194537.db2.gz GFMQSISMOOBVEL-DNVCBOLYSA-N 0 1 378.538 3.064 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2)CC1 ZINC000276158884 1435194751 /nfs/dbraw/zinc/19/47/51/1435194751.db2.gz FGRNRIWFTDMGHH-QGZVFWFLSA-N 0 1 383.458 3.237 20 0 GGADMN CCC(O)(CC)CCNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000276268114 1435201046 /nfs/dbraw/zinc/20/10/46/1435201046.db2.gz GDGXFLBAGXACJP-INIZCTEOSA-N 0 1 389.540 3.043 20 0 GGADMN CCC1(CC)Oc2ccc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)cc2O1 ZINC000276286428 1435202463 /nfs/dbraw/zinc/20/24/63/1435202463.db2.gz JILPQASZJJBSCE-INIZCTEOSA-N 0 1 389.496 3.160 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ncon3)n[nH]2)cc1OC ZINC000276311264 1435204065 /nfs/dbraw/zinc/20/40/65/1435204065.db2.gz YLMZHKCAGKOUIB-INIZCTEOSA-N 0 1 397.435 3.234 20 0 GGADMN CC(=O)CC(C)(C)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000276408860 1435209847 /nfs/dbraw/zinc/20/98/47/1435209847.db2.gz ARTOMWVFHJUWJU-UHFFFAOYSA-N 0 1 378.488 3.181 20 0 GGADMN CCS(=O)(=O)CCCCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000276415889 1435210343 /nfs/dbraw/zinc/21/03/43/1435210343.db2.gz FLEBTWQISGAEHU-UHFFFAOYSA-N 0 1 384.517 3.081 20 0 GGADMN CCS(=O)(=O)CCCCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000276474675 1435213194 /nfs/dbraw/zinc/21/31/94/1435213194.db2.gz NZXLDEYPKPAAPM-HXUWFJFHSA-N 0 1 383.554 3.281 20 0 GGADMN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CC(=O)c2ccccc21 ZINC000276560594 1435217405 /nfs/dbraw/zinc/21/74/05/1435217405.db2.gz PPEOBZVVVQAFIA-NRFANRHFSA-N 0 1 378.472 3.200 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NC(=O)c2[nH]nc3c2CCCCC3)n1 ZINC000276566728 1435217910 /nfs/dbraw/zinc/21/79/10/1435217910.db2.gz QVQYNGZIVGZBGR-LBPRGKRZSA-N 0 1 381.436 3.228 20 0 GGADMN CCCOc1ccc(C(=O)N(C)Cc2nnc[nH]2)c(OCc2ccccc2)c1 ZINC000276569754 1435218066 /nfs/dbraw/zinc/21/80/66/1435218066.db2.gz AXESIRULQUUFCF-UHFFFAOYSA-N 0 1 380.448 3.445 20 0 GGADMN CCCCCOc1ccc(CNCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000276599738 1435219748 /nfs/dbraw/zinc/21/97/48/1435219748.db2.gz BURNKVSFOOMDRH-UHFFFAOYSA-N 0 1 391.533 3.311 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)c1ccsc1 ZINC000276667593 1435223849 /nfs/dbraw/zinc/22/38/49/1435223849.db2.gz RESHHCPAVQXPJG-QGZVFWFLSA-N 0 1 392.500 3.138 20 0 GGADMN C[C@H]1c2nncn2CCN1C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000276706357 1435226533 /nfs/dbraw/zinc/22/65/33/1435226533.db2.gz BDGVJJUUZWDAPP-KRWDZBQOSA-N 0 1 375.476 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cn4cccnc4n3)CC2)CC1 ZINC000276708554 1435226774 /nfs/dbraw/zinc/22/67/74/1435226774.db2.gz CPVYNRDAAZFYRI-UHFFFAOYSA-N 0 1 385.512 3.342 20 0 GGADMN CCc1c(NC(=O)N(C)Cc2nnc[nH]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000276711278 1435226981 /nfs/dbraw/zinc/22/69/81/1435226981.db2.gz DKAXELMPYLGKTH-UHFFFAOYSA-N 0 1 393.373 3.236 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCn2cnnc2[C@@H]1C)c1ccccc1Cl ZINC000276720296 1435227680 /nfs/dbraw/zinc/22/76/80/1435227680.db2.gz SKSNJGCONWAJMT-YOEHRIQHSA-N 0 1 390.919 3.101 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@H](N2CCCC2=O)C1 ZINC000276722270 1435227917 /nfs/dbraw/zinc/22/79/17/1435227917.db2.gz AISDELIXAGMMNM-GOSISDBHSA-N 0 1 386.927 3.398 20 0 GGADMN O=C1CCCN1[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000276727130 1435228321 /nfs/dbraw/zinc/22/83/21/1435228321.db2.gz AXEKTJHGVGXHAN-NRFANRHFSA-N 0 1 387.487 3.131 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000276734195 1435228815 /nfs/dbraw/zinc/22/88/15/1435228815.db2.gz BYXLABOWXGYJOY-OXQOHEQNSA-N 0 1 392.459 3.094 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000276741387 1435229174 /nfs/dbraw/zinc/22/91/74/1435229174.db2.gz DGKUTAFKIMFJIP-AWEZNQCLSA-N 0 1 380.448 3.474 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n[nH]1 ZINC000276743668 1435229363 /nfs/dbraw/zinc/22/93/63/1435229363.db2.gz BHSHUKMLBARXSI-UONOGXRCSA-N 0 1 384.484 3.437 20 0 GGADMN COc1ccc([C@H](NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)C2CC2)cc1 ZINC000276750702 1435229720 /nfs/dbraw/zinc/22/97/20/1435229720.db2.gz FMJIXFIHGFUVSD-LJQANCHMSA-N 0 1 378.432 3.086 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)n[nH]1 ZINC000276752638 1435229951 /nfs/dbraw/zinc/22/99/51/1435229951.db2.gz AXZVLMBRYLJLCE-VHSXEESVSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)n[nH]1 ZINC000276752634 1435230038 /nfs/dbraw/zinc/23/00/38/1435230038.db2.gz AXZVLMBRYLJLCE-NXEZZACHSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)n[nH]1 ZINC000276752640 1435230074 /nfs/dbraw/zinc/23/00/74/1435230074.db2.gz AXZVLMBRYLJLCE-ZJUUUORDSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)NC)ccc2Cl)n[nH]1 ZINC000276758155 1435230195 /nfs/dbraw/zinc/23/01/95/1435230195.db2.gz BIXAISIMDMWODD-UWVGGRQHSA-N 0 1 378.864 3.214 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000276771024 1435231299 /nfs/dbraw/zinc/23/12/99/1435231299.db2.gz OPBRSWWLKPYXFW-UHFFFAOYSA-N 0 1 383.473 3.163 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000276778987 1435231783 /nfs/dbraw/zinc/23/17/83/1435231783.db2.gz PMOGIYIKJBIZCI-INIZCTEOSA-N 0 1 378.461 3.484 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)n[nH]1 ZINC000276779559 1435231802 /nfs/dbraw/zinc/23/18/02/1435231802.db2.gz AHZDBDAGDXNQQZ-RYUDHWBXSA-N 0 1 391.447 3.060 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)n[nH]1 ZINC000276789498 1435232585 /nfs/dbraw/zinc/23/25/85/1435232585.db2.gz BIJCATDVXWMVPS-AHIWAGSCSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000276798932 1435233343 /nfs/dbraw/zinc/23/33/43/1435233343.db2.gz CJCDRBHRCRKDMO-NWDGAFQWSA-N 0 1 398.492 3.258 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](N4CCCC4=O)C3)c2)cc1 ZINC000276799781 1435233517 /nfs/dbraw/zinc/23/35/17/1435233517.db2.gz MLFFGENVTCDRFQ-HXUWFJFHSA-N 0 1 393.487 3.144 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000276808687 1435234110 /nfs/dbraw/zinc/23/41/10/1435234110.db2.gz DLELTSFCIOJMJV-UONOGXRCSA-N 0 1 387.484 3.313 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)n[nH]1 ZINC000276808720 1435234215 /nfs/dbraw/zinc/23/42/15/1435234215.db2.gz DLMNFWMGZMYMGI-GXSJLCMTSA-N 0 1 393.875 3.105 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276812479 1435234660 /nfs/dbraw/zinc/23/46/60/1435234660.db2.gz DTENVRLDEKCBEC-WDEREUQCSA-N 0 1 393.875 3.186 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCCC(=O)N2Cc3ccccc3C2)n[nH]1 ZINC000276816784 1435234883 /nfs/dbraw/zinc/23/48/83/1435234883.db2.gz FCZKAJZJXGZBLE-GJZGRUSLSA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cccc(N3CCOC3=O)c2C)n[nH]1 ZINC000276822763 1435235184 /nfs/dbraw/zinc/23/51/84/1435235184.db2.gz IJEFXULIFBHWAQ-YPMHNXCESA-N 0 1 386.456 3.466 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)CCOCC(F)(F)C(F)(F)F)n1 ZINC000276820900 1435235235 /nfs/dbraw/zinc/23/52/35/1435235235.db2.gz MODGABWQBLVBCW-UHFFFAOYSA-N 0 1 394.300 3.023 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)n[nH]1 ZINC000276830582 1435235778 /nfs/dbraw/zinc/23/57/78/1435235778.db2.gz GNBTYLXOJOHHFF-GVXVVHGQSA-N 0 1 375.477 3.336 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)n[nH]1 ZINC000276834905 1435236239 /nfs/dbraw/zinc/23/62/39/1435236239.db2.gz HBMPMRAMSPVRIY-WCQYABFASA-N 0 1 396.451 3.098 20 0 GGADMN CCCOc1ccc(C(=O)NCCCc2cn[nH]c2C)c(OCCCOC)c1 ZINC000276835033 1435236247 /nfs/dbraw/zinc/23/62/47/1435236247.db2.gz RGOJVLBYGCFHOY-UHFFFAOYSA-N 0 1 389.496 3.285 20 0 GGADMN COc1ccc([C@H](NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)C(C)C)cc1 ZINC000276833445 1435236249 /nfs/dbraw/zinc/23/62/49/1435236249.db2.gz RIPSNLBFTRYIPM-LJQANCHMSA-N 0 1 380.448 3.332 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)n[nH]1 ZINC000276834907 1435236283 /nfs/dbraw/zinc/23/62/83/1435236283.db2.gz HBMPMRAMSPVRIY-YPMHNXCESA-N 0 1 396.451 3.098 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000276838048 1435236401 /nfs/dbraw/zinc/23/64/01/1435236401.db2.gz RZIIGTSZXPFPBG-IBGZPJMESA-N 0 1 377.448 3.349 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)n[nH]1 ZINC000276835261 1435236406 /nfs/dbraw/zinc/23/64/06/1435236406.db2.gz AEMQEXFWIMURET-ZIAGYGMSSA-N 0 1 392.463 3.457 20 0 GGADMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000276840462 1435236696 /nfs/dbraw/zinc/23/66/96/1435236696.db2.gz YBTQAFNHIFCAID-NSHDSACASA-N 0 1 378.436 3.386 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C=Cc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276838560 1435236710 /nfs/dbraw/zinc/23/67/10/1435236710.db2.gz CEFDAHXATFVWSO-VSONXHSHSA-N 0 1 388.468 3.235 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)n[nH]1 ZINC000276842256 1435236907 /nfs/dbraw/zinc/23/69/07/1435236907.db2.gz CFFKBSAHYTVCMM-XQQFMLRXSA-N 0 1 380.514 3.142 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)n[nH]1 ZINC000276845598 1435237204 /nfs/dbraw/zinc/23/72/04/1435237204.db2.gz IILBARLYJXHOBO-ZOBUZTSGSA-N 0 1 387.528 3.481 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(SC)ccc2C)n[nH]1 ZINC000276857350 1435237871 /nfs/dbraw/zinc/23/78/71/1435237871.db2.gz JTDYTMVPCMZHRC-ZYHUDNBSSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1 ZINC000276857487 1435238049 /nfs/dbraw/zinc/23/80/49/1435238049.db2.gz JVJUBEGIODKGJS-RYUDHWBXSA-N 0 1 391.447 3.060 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NC[C@H](C)Oc2ccccc2OC)n[nH]1 ZINC000276863802 1435238396 /nfs/dbraw/zinc/23/83/96/1435238396.db2.gz KPAKOEGFSHTRPI-MELADBBJSA-N 0 1 375.473 3.155 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1ccccc1OC1CCCC1 ZINC000276870888 1435238905 /nfs/dbraw/zinc/23/89/05/1435238905.db2.gz YNVLBOMOINYCHR-UHFFFAOYSA-N 0 1 392.459 3.448 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276871127 1435238934 /nfs/dbraw/zinc/23/89/34/1435238934.db2.gz LNXZPPXNVKKWEZ-KGLIPLIRSA-N 0 1 387.484 3.313 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccc(NC(=O)OC)cc2)n[nH]1 ZINC000276869233 1435238956 /nfs/dbraw/zinc/23/89/56/1435238956.db2.gz LIUXWCYAFTYVLK-CHWSQXEVSA-N 0 1 388.472 3.099 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)n[nH]1 ZINC000276873249 1435239104 /nfs/dbraw/zinc/23/91/04/1435239104.db2.gz LQEHNQMHXZURKH-BDAKNGLRSA-N 0 1 397.451 3.134 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276873514 1435239115 /nfs/dbraw/zinc/23/91/15/1435239115.db2.gz LUVMMOGJOWPBIV-KGLIPLIRSA-N 0 1 387.484 3.231 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)n[nH]1 ZINC000276873256 1435239199 /nfs/dbraw/zinc/23/91/99/1435239199.db2.gz LQEHNQMHXZURKH-IUCAKERBSA-N 0 1 397.451 3.134 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2OCc2noc(C)n2)n[nH]1 ZINC000276878875 1435239619 /nfs/dbraw/zinc/23/96/19/1435239619.db2.gz IFMQJJQJFXHRTJ-NWDGAFQWSA-N 0 1 384.440 3.080 20 0 GGADMN CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000276877672 1435239649 /nfs/dbraw/zinc/23/96/49/1435239649.db2.gz MFBRLJPCOHAKGO-IHRRRGAJSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)n[nH]1 ZINC000276883873 1435240254 /nfs/dbraw/zinc/24/02/54/1435240254.db2.gz MSBXSZXILOZLRV-GHMZBOCLSA-N 0 1 389.891 3.419 20 0 GGADMN O=C(Nc1cccc(F)c1)C1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000276895691 1435241067 /nfs/dbraw/zinc/24/10/67/1435241067.db2.gz COGPMEWTWLAQAV-FQEVSTJZSA-N 0 1 381.451 3.430 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2sc(C)nc2CC(C)C)n[nH]1 ZINC000276898011 1435241295 /nfs/dbraw/zinc/24/12/95/1435241295.db2.gz OOLSJHSMWOEZPL-GHMZBOCLSA-N 0 1 392.529 3.098 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000276905881 1435241905 /nfs/dbraw/zinc/24/19/05/1435241905.db2.gz PLYGSKMDNVUIPJ-RYUDHWBXSA-N 0 1 375.498 3.246 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)n[nH]1 ZINC000276908952 1435242100 /nfs/dbraw/zinc/24/21/00/1435242100.db2.gz PXDQHNHWUPMODK-IHRRRGAJSA-N 0 1 388.520 3.148 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)n[nH]1 ZINC000276913584 1435242438 /nfs/dbraw/zinc/24/24/38/1435242438.db2.gz QNVWXEBOJZGQJX-KBPBESRZSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000276916557 1435242676 /nfs/dbraw/zinc/24/26/76/1435242676.db2.gz QZOHPEWESAMPNL-UWVGGRQHSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cc(COC(C)(C)C)on2)n[nH]1 ZINC000276919281 1435242823 /nfs/dbraw/zinc/24/28/23/1435242823.db2.gz RHKXYBCOHWLTRI-NWDGAFQWSA-N 0 1 378.477 3.182 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000276919817 1435243133 /nfs/dbraw/zinc/24/31/33/1435243133.db2.gz KNDFEPGPQXSMJK-UHFFFAOYSA-N 0 1 398.511 3.008 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccn(CCc3ccncc3)n2)n[nH]1 ZINC000276923969 1435243254 /nfs/dbraw/zinc/24/32/54/1435243254.db2.gz LNEZWUBODQBVIW-ZIAGYGMSSA-N 0 1 382.472 3.035 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)n[nH]1 ZINC000276923921 1435243267 /nfs/dbraw/zinc/24/32/67/1435243267.db2.gz LMQWPOLSLCFQLV-RWMBFGLXSA-N 0 1 388.472 3.174 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccn(CCc3ccncc3)n2)n[nH]1 ZINC000276923966 1435243330 /nfs/dbraw/zinc/24/33/30/1435243330.db2.gz LNEZWUBODQBVIW-UONOGXRCSA-N 0 1 382.472 3.035 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000276929015 1435243901 /nfs/dbraw/zinc/24/39/01/1435243901.db2.gz IKSOALQWSTXPMR-YJBOKZPZSA-N 0 1 398.850 3.110 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)n[nH]1 ZINC000276928691 1435244006 /nfs/dbraw/zinc/24/40/06/1435244006.db2.gz STJBGHVXKQHXTC-ZIBATOQPSA-N 0 1 381.427 3.344 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)n[nH]1 ZINC000276928678 1435244015 /nfs/dbraw/zinc/24/40/15/1435244015.db2.gz STGQFMKTGXTTLD-UONOGXRCSA-N 0 1 387.484 3.059 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)n[nH]1 ZINC000276933612 1435244438 /nfs/dbraw/zinc/24/44/38/1435244438.db2.gz UBYBXXVFVUHHQQ-MNOVXSKESA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2C)n[nH]1 ZINC000276937189 1435244945 /nfs/dbraw/zinc/24/49/45/1435244945.db2.gz MZTQTTVHLYFEGD-AAEUAGOBSA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)n[nH]1 ZINC000276937397 1435244974 /nfs/dbraw/zinc/24/49/74/1435244974.db2.gz UIUBFEVQGTVQLG-ONGXEEELSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCC2)n[nH]1 ZINC000276945747 1435245787 /nfs/dbraw/zinc/24/57/87/1435245787.db2.gz VGZXDMNXGJFTKY-HUUCEWRRSA-N 0 1 398.511 3.124 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCC2)n[nH]1 ZINC000276945752 1435245899 /nfs/dbraw/zinc/24/58/99/1435245899.db2.gz VGZXDMNXGJFTKY-LSDHHAIUSA-N 0 1 398.511 3.124 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000276957470 1435246934 /nfs/dbraw/zinc/24/69/34/1435246934.db2.gz WPBDZBOOHHGZEK-ZJUUUORDSA-N 0 1 399.373 3.033 20 0 GGADMN FC(F)(F)Cn1ccnc1CNC[C@H]1CSCCN1Cc1ccccc1 ZINC000276963873 1435247519 /nfs/dbraw/zinc/24/75/19/1435247519.db2.gz DGKAJWABORATAH-INIZCTEOSA-N 0 1 384.471 3.153 20 0 GGADMN FC(F)(F)Cn1ccnc1CNC[C@@H]1CSCCN1Cc1ccccc1 ZINC000276963874 1435247532 /nfs/dbraw/zinc/24/75/32/1435247532.db2.gz DGKAJWABORATAH-MRXNPFEDSA-N 0 1 384.471 3.153 20 0 GGADMN CCc1c(NC(=O)CCN2CCN(c3ccccn3)CC2)cnn1CCC(C)C ZINC000276975010 1435248757 /nfs/dbraw/zinc/24/87/57/1435248757.db2.gz ATTYPNLHBLOYGN-UHFFFAOYSA-N 0 1 398.555 3.037 20 0 GGADMN C[C@@H](c1nc(Cc2nc(N)nc(Nc3ccccc3)n2)no1)N1[C@H](C)CC[C@H]1C ZINC000276976490 1435248851 /nfs/dbraw/zinc/24/88/51/1435248851.db2.gz VCFZLVGTJASDRD-MCIONIFRSA-N 0 1 394.483 3.105 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3c4c(cccc42)CC3)n[nH]1 ZINC000276980136 1435249204 /nfs/dbraw/zinc/24/92/04/1435249204.db2.gz ZHMXJPACVOWQKZ-STQMWFEESA-N 0 1 391.475 3.386 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3c4c(cccc42)CC3)n[nH]1 ZINC000276980108 1435249281 /nfs/dbraw/zinc/24/92/81/1435249281.db2.gz ZHMXJPACVOWQKZ-OLZOCXBDSA-N 0 1 391.475 3.386 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000276985716 1435249898 /nfs/dbraw/zinc/24/98/98/1435249898.db2.gz HJGDDLJGWKCRIN-KRWDZBQOSA-N 0 1 377.558 3.232 20 0 GGADMN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000276988121 1435250045 /nfs/dbraw/zinc/25/00/45/1435250045.db2.gz GIKLIONNKCCZKG-LBPRGKRZSA-N 0 1 388.386 3.030 20 0 GGADMN Cn1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)c2ccccc2c1=O ZINC000276996607 1435250726 /nfs/dbraw/zinc/25/07/26/1435250726.db2.gz HGYHGQVDECWRGE-UHFFFAOYSA-N 0 1 393.512 3.340 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)n[nH]1 ZINC000277004133 1435251195 /nfs/dbraw/zinc/25/11/95/1435251195.db2.gz ITYOMGKGYGYONK-NSHDSACASA-N 0 1 390.513 3.248 20 0 GGADMN COC1(CNc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)CCOCC1 ZINC000277007390 1435251558 /nfs/dbraw/zinc/25/15/58/1435251558.db2.gz KTXXRGRWYMSZGK-INIZCTEOSA-N 0 1 393.503 3.246 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)OC)c(F)cc2F)n[nH]1 ZINC000277006197 1435251579 /nfs/dbraw/zinc/25/15/79/1435251579.db2.gz VAIYJDXLWPSUPP-RKDXNWHRSA-N 0 1 381.383 3.266 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)OC)c(F)cc2F)n[nH]1 ZINC000277006192 1435251613 /nfs/dbraw/zinc/25/16/13/1435251613.db2.gz VAIYJDXLWPSUPP-BDAKNGLRSA-N 0 1 381.383 3.266 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)CS(=O)(=O)c2ccccc2)c2ccccc2)n1 ZINC000277024695 1435253210 /nfs/dbraw/zinc/25/32/10/1435253210.db2.gz DRHZWYZVXHYHHK-KXBFYZLASA-N 0 1 385.489 3.114 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)CS(=O)(=O)c2ccccc2)c2ccccc2)n1 ZINC000277024674 1435253288 /nfs/dbraw/zinc/25/32/88/1435253288.db2.gz DRHZWYZVXHYHHK-BEFAXECRSA-N 0 1 385.489 3.114 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1ccccc1N1CCCCC1 ZINC000277024018 1435253350 /nfs/dbraw/zinc/25/33/50/1435253350.db2.gz RLPHHXSSYHXIKI-UHFFFAOYSA-N 0 1 391.475 3.117 20 0 GGADMN Cc1noc(C[C@H](NC(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2)n1 ZINC000277042755 1435255542 /nfs/dbraw/zinc/25/55/42/1435255542.db2.gz PJJQWSNLINVYIA-IRXDYDNUSA-N 0 1 399.520 3.325 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000277045509 1435255823 /nfs/dbraw/zinc/25/58/23/1435255823.db2.gz ZEJRVWJAZRGCND-AGHHOFFYSA-N 0 1 396.535 3.105 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2)n1 ZINC000277046059 1435255986 /nfs/dbraw/zinc/25/59/86/1435255986.db2.gz CCYXUIOEJOLDKK-DNVCBOLYSA-N 0 1 376.460 3.229 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)n[nH]1 ZINC000277050554 1435256631 /nfs/dbraw/zinc/25/66/31/1435256631.db2.gz LJIJTWOSRMHPBW-ZKTNFTSUSA-N 0 1 385.493 3.124 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccccc2OCCn2ccnc2)n[nH]1 ZINC000277053812 1435256928 /nfs/dbraw/zinc/25/69/28/1435256928.db2.gz ZUTCXGZNSXSYNN-HUUCEWRRSA-N 0 1 397.483 3.476 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2-n2nc(C)nc2C)n[nH]1 ZINC000277055496 1435257162 /nfs/dbraw/zinc/25/71/62/1435257162.db2.gz ZZZVPKSUCKVKNI-RYUDHWBXSA-N 0 1 382.472 3.398 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)n[nH]1 ZINC000277060710 1435257852 /nfs/dbraw/zinc/25/78/52/1435257852.db2.gz DEOZQYSWFWNFTG-ZNMIVQPWSA-N 0 1 391.541 3.270 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OC)c(OCCOC)c2)n[nH]1 ZINC000277067598 1435258657 /nfs/dbraw/zinc/25/86/57/1435258657.db2.gz PZYDAPURQNDNLU-CHWSQXEVSA-N 0 1 391.472 3.235 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccccc2Cn2cccn2)n[nH]1 ZINC000277074350 1435259292 /nfs/dbraw/zinc/25/92/92/1435259292.db2.gz BUPCAZQYVBPSGC-HUUCEWRRSA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(N3CCOCC3)cc2C)n[nH]1 ZINC000277075151 1435259539 /nfs/dbraw/zinc/25/95/39/1435259539.db2.gz RHEOKCQQZGNEHM-HIFRSBDPSA-N 0 1 386.500 3.346 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCCC3)nc2)n[nH]1 ZINC000277088402 1435260752 /nfs/dbraw/zinc/26/07/52/1435260752.db2.gz CYRFENVBQGGVOC-HUUCEWRRSA-N 0 1 385.516 3.264 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(C2CCC2)cc1 ZINC000277111529 1435263173 /nfs/dbraw/zinc/26/31/73/1435263173.db2.gz QOUQVCFYJBIIGS-UHFFFAOYSA-N 0 1 380.492 3.436 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CSCC(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000277114969 1435263784 /nfs/dbraw/zinc/26/37/84/1435263784.db2.gz RXTDGDXBLPPBLL-ZIAGYGMSSA-N 0 1 389.525 3.176 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn(C)c(=O)c2ccccc12 ZINC000277126599 1435265503 /nfs/dbraw/zinc/26/55/03/1435265503.db2.gz ZLPZOMHBPZAZHJ-SFHVURJKSA-N 0 1 389.499 3.275 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccnc(N3CCCCC3)c2)n[nH]1 ZINC000277144813 1435268386 /nfs/dbraw/zinc/26/83/86/1435268386.db2.gz HAMYCANKVZIKQI-GJZGRUSLSA-N 0 1 385.516 3.264 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccnc(N3CCCCC3)c2)n[nH]1 ZINC000277144810 1435268457 /nfs/dbraw/zinc/26/84/57/1435268457.db2.gz HAMYCANKVZIKQI-CABCVRRESA-N 0 1 385.516 3.264 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)N2CCSc3ccccc32)c2ccccc2)n1 ZINC000277152581 1435269886 /nfs/dbraw/zinc/26/98/86/1435269886.db2.gz JTHAPZWCPHHGLT-KRWDZBQOSA-N 0 1 394.500 3.390 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2)n1 ZINC000277165685 1435272083 /nfs/dbraw/zinc/27/20/83/1435272083.db2.gz BNNHKUVYLDTTAW-BLLLJJGKSA-N 0 1 385.855 3.327 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)n[nH]1 ZINC000277170846 1435272691 /nfs/dbraw/zinc/27/26/91/1435272691.db2.gz HWFHMYXQEHHBTM-KGLIPLIRSA-N 0 1 397.483 3.454 20 0 GGADMN CCCCn1ncc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)n[nH]2)c1CC ZINC000277176022 1435273936 /nfs/dbraw/zinc/27/39/36/1435273936.db2.gz NAIMDCSHUIUSCM-UHFFFAOYSA-N 0 1 398.467 3.300 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)n[nH]1 ZINC000277185052 1435275559 /nfs/dbraw/zinc/27/55/59/1435275559.db2.gz KGQIKGBQDMCWJI-KBPBESRZSA-N 0 1 397.483 3.073 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccn(-c3ccc(OC)cc3)n2)n[nH]1 ZINC000277185056 1435275602 /nfs/dbraw/zinc/27/56/02/1435275602.db2.gz KGQIKGBQDMCWJI-KGLIPLIRSA-N 0 1 397.483 3.073 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000277189407 1435275883 /nfs/dbraw/zinc/27/58/83/1435275883.db2.gz KPNWOXANGQIMIF-YHELAOLJSA-N 0 1 382.508 3.103 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c2ccccc2)n1 ZINC000277196577 1435276921 /nfs/dbraw/zinc/27/69/21/1435276921.db2.gz DKIZCAKPAUWHAG-BLLLJJGKSA-N 0 1 385.493 3.352 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(C(=O)[O-])c(C)n1 ZINC000277200765 1435277424 /nfs/dbraw/zinc/27/74/24/1435277424.db2.gz GNBYPXCCKFASOK-UHFFFAOYSA-N 0 1 386.402 3.459 20 0 GGADMN Cc1noc(C[C@H](N[C@H]2CCN(c3ccccc3F)C2=O)c2ccccc2)n1 ZINC000277224039 1435280990 /nfs/dbraw/zinc/28/09/90/1435280990.db2.gz GGEBVBASDIQZMK-ROUUACIJSA-N 0 1 380.423 3.196 20 0 GGADMN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@H](c1ccco1)N1CCCC1 ZINC000277225068 1435281189 /nfs/dbraw/zinc/28/11/89/1435281189.db2.gz FOYMZHGKNQTIQI-RTBURBONSA-N 0 1 392.459 3.061 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCc2cnn(-c3ccccc3)c2)n[nH]1 ZINC000277243316 1435284133 /nfs/dbraw/zinc/28/41/33/1435284133.db2.gz PFLHCXDIFHOSFZ-LSDHHAIUSA-N 0 1 381.484 3.107 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)n1 ZINC000277270132 1435287307 /nfs/dbraw/zinc/28/73/07/1435287307.db2.gz RMWYNQVFTUINBB-SFHVURJKSA-N 0 1 394.479 3.202 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000277271637 1435287580 /nfs/dbraw/zinc/28/75/80/1435287580.db2.gz UAFMGGKKKIXPLW-FOIQADDNSA-N 0 1 395.478 3.125 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000277277290 1435288309 /nfs/dbraw/zinc/28/83/09/1435288309.db2.gz RZNFWUGGRVIRBG-UONOGXRCSA-N 0 1 384.484 3.005 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000277277298 1435288359 /nfs/dbraw/zinc/28/83/59/1435288359.db2.gz RZNFWUGGRVIRBG-ZIAGYGMSSA-N 0 1 384.484 3.005 20 0 GGADMN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C3)nc2c1 ZINC000277279793 1435288917 /nfs/dbraw/zinc/28/89/17/1435288917.db2.gz IEFCWAQJWINWFH-LBPRGKRZSA-N 0 1 396.413 3.034 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C3)[nH]c2c1 ZINC000277279793 1435288921 /nfs/dbraw/zinc/28/89/21/1435288921.db2.gz IEFCWAQJWINWFH-LBPRGKRZSA-N 0 1 396.413 3.034 20 0 GGADMN CC(C)c1c(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cnn1-c1ccccc1 ZINC000277284728 1435289230 /nfs/dbraw/zinc/28/92/30/1435289230.db2.gz IOPNJGWLMCPIOK-UHFFFAOYSA-N 0 1 382.386 3.391 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2)n1 ZINC000277296963 1435290803 /nfs/dbraw/zinc/29/08/03/1435290803.db2.gz KVYSKPYRNMVUGD-FOIQADDNSA-N 0 1 396.466 3.138 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2)n1 ZINC000277296967 1435290895 /nfs/dbraw/zinc/29/08/95/1435290895.db2.gz KVYSKPYRNMVUGD-MGPUTAFESA-N 0 1 396.466 3.138 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCc2nc3ccccc3n2CC)n[nH]1 ZINC000277311994 1435292641 /nfs/dbraw/zinc/29/26/41/1435292641.db2.gz VCXKBKRYHPLNHB-KGLIPLIRSA-N 0 1 383.500 3.291 20 0 GGADMN O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1C1CCN(Cc2ccncc2)CC1 ZINC000277318013 1435293330 /nfs/dbraw/zinc/29/33/30/1435293330.db2.gz LYDCMGZUXHVBSF-UHFFFAOYSA-N 0 1 398.894 3.164 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)NCc2ccc(F)cc2)c2ccccc2)n1 ZINC000277319390 1435293712 /nfs/dbraw/zinc/29/37/12/1435293712.db2.gz MFLUOSIIXPEDLV-LIRRHRJNSA-N 0 1 382.439 3.095 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)NCc2ccc(F)cc2)c2ccccc2)n1 ZINC000277319387 1435293747 /nfs/dbraw/zinc/29/37/47/1435293747.db2.gz MFLUOSIIXPEDLV-IFXJQAMLSA-N 0 1 382.439 3.095 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)NCc2ccc(F)cc2)c2ccccc2)n1 ZINC000277319385 1435293869 /nfs/dbraw/zinc/29/38/69/1435293869.db2.gz MFLUOSIIXPEDLV-AUUYWEPGSA-N 0 1 382.439 3.095 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000277339272 1435295779 /nfs/dbraw/zinc/29/57/79/1435295779.db2.gz DKUITCKURQGTRI-SFHVURJKSA-N 0 1 388.830 3.336 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cnc(OCc4ccccc4)cn3)CC2)n[nH]1 ZINC000277350471 1435297296 /nfs/dbraw/zinc/29/72/96/1435297296.db2.gz NXGRRGIIXCFSEJ-UHFFFAOYSA-N 0 1 377.448 3.107 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](c2nccn2C)c2ccccc2F)n[nH]1 ZINC000277359176 1435298024 /nfs/dbraw/zinc/29/80/24/1435298024.db2.gz YMOZFGCEZCQQJU-WOSRLPQWSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](c2nccn2C)c2ccccc2F)n[nH]1 ZINC000277359183 1435298057 /nfs/dbraw/zinc/29/80/57/1435298057.db2.gz YMOZFGCEZCQQJU-ZENOOKHLSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccccc2Cn2ccnc2)n[nH]1 ZINC000277359512 1435298082 /nfs/dbraw/zinc/29/80/82/1435298082.db2.gz YOORZXJAEFXXOC-LSDHHAIUSA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](c2nccn2C)c2ccccc2F)n[nH]1 ZINC000277359180 1435298146 /nfs/dbraw/zinc/29/81/46/1435298146.db2.gz YMOZFGCEZCQQJU-XEZPLFJOSA-N 0 1 399.474 3.341 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277394898 1435301618 /nfs/dbraw/zinc/30/16/18/1435301618.db2.gz ZCPZNAUWKHPKFD-SFHVURJKSA-N 0 1 380.448 3.289 20 0 GGADMN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277412581 1435302816 /nfs/dbraw/zinc/30/28/16/1435302816.db2.gz DUOSOVAHDLZDDX-FQEVSTJZSA-N 0 1 392.503 3.129 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CNC(=O)Cc2cccc3ccccc32)n[nH]1 ZINC000277420386 1435303524 /nfs/dbraw/zinc/30/35/24/1435303524.db2.gz BAHSWQKOMVSCCY-HUUCEWRRSA-N 0 1 393.491 3.008 20 0 GGADMN O=C([O-])[C@H](C[NH+]1CCCCC1)NCc1cccc(OCc2ccccc2F)c1 ZINC000277431800 1435304326 /nfs/dbraw/zinc/30/43/26/1435304326.db2.gz UCXDFFWLPZXCQB-NRFANRHFSA-N 0 1 386.467 3.433 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)c2)cs1 ZINC000277446541 1435305298 /nfs/dbraw/zinc/30/52/98/1435305298.db2.gz HKLDSHXIISXNIH-SFHVURJKSA-N 0 1 398.532 3.190 20 0 GGADMN Cc1ccnc2nc(C(=O)Nc3nnc([C@@H]4CCCc5ccccc54)s3)nn21 ZINC000277467980 1435306641 /nfs/dbraw/zinc/30/66/41/1435306641.db2.gz IFCOOYBTOOYTSQ-CQSZACIVSA-N 0 1 391.460 3.005 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)N2CCCC2)o1 ZINC000277485914 1435307598 /nfs/dbraw/zinc/30/75/98/1435307598.db2.gz KVKBVGJKRXWPHU-LJQANCHMSA-N 0 1 379.460 3.007 20 0 GGADMN Cc1noc(C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2=O)c2ccccc2)n1 ZINC000277489822 1435308206 /nfs/dbraw/zinc/30/82/06/1435308206.db2.gz UWBBBTJOMBYCKE-MSOLQXFVSA-N 0 1 398.413 3.335 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)n[nH]1 ZINC000277503372 1435308704 /nfs/dbraw/zinc/30/87/04/1435308704.db2.gz VMMAOEYUAOQTFD-QWHCGFSZSA-N 0 1 397.487 3.300 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)n[nH]1 ZINC000277503379 1435308810 /nfs/dbraw/zinc/30/88/10/1435308810.db2.gz VMMAOEYUAOQTFD-STQMWFEESA-N 0 1 397.487 3.300 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CN3C(=O)CN(C4CCCC4)C3=O)cc2)C[C@@H](C)O1 ZINC000277519321 1435309885 /nfs/dbraw/zinc/30/98/85/1435309885.db2.gz VALNNRXQSOFGLD-IAGOWNOFSA-N 0 1 385.508 3.003 20 0 GGADMN C[C@H]1CN(Cc2ccc(CN3C(=O)CN(C4CCCC4)C3=O)cc2)C[C@H](C)O1 ZINC000277519323 1435310024 /nfs/dbraw/zinc/31/00/24/1435310024.db2.gz VALNNRXQSOFGLD-IRXDYDNUSA-N 0 1 385.508 3.003 20 0 GGADMN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)c2)n1 ZINC000277521884 1435310139 /nfs/dbraw/zinc/31/01/39/1435310139.db2.gz OCOHKOPHBRATAZ-SFHVURJKSA-N 0 1 396.491 3.030 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277523084 1435310170 /nfs/dbraw/zinc/31/01/70/1435310170.db2.gz XBPBMSJIBSIZTA-VLIAUNLRSA-N 0 1 392.459 3.481 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)N2CCc3sccc3C2)c2ccccc2)n1 ZINC000277557037 1435312781 /nfs/dbraw/zinc/31/27/81/1435312781.db2.gz ZIHULVNVBDHIKE-KBXCAEBGSA-N 0 1 396.516 3.286 20 0 GGADMN CC[C@H](c1ccccc1)N1CC(=O)N(C2CCN(Cc3ccccn3)CC2)C1=O ZINC000277576011 1435313909 /nfs/dbraw/zinc/31/39/09/1435313909.db2.gz YCANXPIMUXYTRF-OAQYLSRUSA-N 0 1 392.503 3.462 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000277589166 1435314689 /nfs/dbraw/zinc/31/46/89/1435314689.db2.gz VLJJCVPBJWTORT-UHFFFAOYSA-N 0 1 390.461 3.065 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)CN(Cc3ccccc3)C2=O)CC1 ZINC000277647897 1435318981 /nfs/dbraw/zinc/31/89/81/1435318981.db2.gz LRPCUHOOWNVUPQ-QGZVFWFLSA-N 0 1 378.476 3.071 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277673706 1435320951 /nfs/dbraw/zinc/32/09/51/1435320951.db2.gz AKBLGGHNIFVUSU-CHWSQXEVSA-N 0 1 398.433 3.413 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)n[nH]1 ZINC000277705209 1435323242 /nfs/dbraw/zinc/32/32/42/1435323242.db2.gz DTXYRTFQVFYKFC-HDMKZQKVSA-N 0 1 383.496 3.249 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)n[nH]1 ZINC000277718445 1435324247 /nfs/dbraw/zinc/32/42/47/1435324247.db2.gz FQBRAATVLORGHL-OCCSQVGLSA-N 0 1 394.479 3.181 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277727269 1435325043 /nfs/dbraw/zinc/32/50/43/1435325043.db2.gz GCMHDAXLXUBHPJ-OLZOCXBDSA-N 0 1 397.479 3.043 20 0 GGADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1)C1CC1 ZINC000277737493 1435325813 /nfs/dbraw/zinc/32/58/13/1435325813.db2.gz UDHQVTQEARRCGA-UHFFFAOYSA-N 0 1 397.859 3.186 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000277740397 1435325900 /nfs/dbraw/zinc/32/59/00/1435325900.db2.gz GXTLEODYFSPFAM-CHWSQXEVSA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000277740410 1435326023 /nfs/dbraw/zinc/32/60/23/1435326023.db2.gz GXTLEODYFSPFAM-STQMWFEESA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2ccc(OC)c(OC)c2OC)n[nH]1 ZINC000277778245 1435329285 /nfs/dbraw/zinc/32/92/85/1435329285.db2.gz JDRNBOOLJYBBRG-QWHCGFSZSA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n[nH]1 ZINC000277778260 1435329440 /nfs/dbraw/zinc/32/94/40/1435329440.db2.gz JELWBMZSDFZMHK-JZXOWHBKSA-N 0 1 397.523 3.356 20 0 GGADMN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000277780745 1435329773 /nfs/dbraw/zinc/32/97/73/1435329773.db2.gz MDTYYPJARYQPBG-CYBMUJFWSA-N 0 1 392.456 3.155 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000277802522 1435331945 /nfs/dbraw/zinc/33/19/45/1435331945.db2.gz KSFRMNMBODQHQH-RYUDHWBXSA-N 0 1 397.435 3.235 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)n[nH]1 ZINC000277814682 1435333063 /nfs/dbraw/zinc/33/30/63/1435333063.db2.gz LHJYUMLRCCKSGQ-GJZGRUSLSA-N 0 1 383.496 3.392 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n[nH]1 ZINC000277820627 1435333532 /nfs/dbraw/zinc/33/35/32/1435333532.db2.gz LPFMIGLXRKKJIK-FZMZJTMJSA-N 0 1 383.500 3.096 20 0 GGADMN Cc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1OCC1CCOCC1 ZINC000277870431 1435337901 /nfs/dbraw/zinc/33/79/01/1435337901.db2.gz AVGLAURXUABHPG-AWEZNQCLSA-N 0 1 386.370 3.178 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(OCc3noc(C)n3)c2)n[nH]1 ZINC000277886279 1435339278 /nfs/dbraw/zinc/33/92/78/1435339278.db2.gz PODOSCXWXRUKTA-RYUDHWBXSA-N 0 1 384.440 3.080 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(CSc3nccn3C)o2)n[nH]1 ZINC000277891621 1435339614 /nfs/dbraw/zinc/33/96/14/1435339614.db2.gz PXXMYQDNSDOFHM-RYUDHWBXSA-N 0 1 388.497 3.428 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)n[nH]1 ZINC000277891309 1435339747 /nfs/dbraw/zinc/33/97/47/1435339747.db2.gz PTPNXVRJABXMEG-STQMWFEESA-N 0 1 399.524 3.051 20 0 GGADMN O=C(c1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1)N1CCCCC1 ZINC000277900863 1435340711 /nfs/dbraw/zinc/34/07/11/1435340711.db2.gz WSXDARPVDLDELT-ROUUACIJSA-N 0 1 384.442 3.448 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cccc4c3ccn4CC(C)C)C2)CC1 ZINC000277919361 1435342301 /nfs/dbraw/zinc/34/23/01/1435342301.db2.gz GSVGSEQGWGFEDG-IBGZPJMESA-N 0 1 382.552 3.149 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277926066 1435342991 /nfs/dbraw/zinc/34/29/91/1435342991.db2.gz RQQXCUAFDFVJLI-CWRNSKLLSA-N 0 1 386.496 3.485 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc3c(n2)CCCC3)CC1 ZINC000277941254 1435344493 /nfs/dbraw/zinc/34/44/93/1435344493.db2.gz KDOHVYRXCHVFCB-KRWDZBQOSA-N 0 1 393.535 3.380 20 0 GGADMN COC[C@@H](C)OC[C@H](O)CN(Cc1cccs1)Cc1ccccc1OC ZINC000277971200 1435347051 /nfs/dbraw/zinc/34/70/51/1435347051.db2.gz APWVXQSSIKULOR-SJLPKXTDSA-N 0 1 379.522 3.171 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)n[nH]1 ZINC000277984549 1435347852 /nfs/dbraw/zinc/34/78/52/1435347852.db2.gz VYBKWZRCRSCLDN-HUBLWGQQSA-N 0 1 388.493 3.217 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)n[nH]1 ZINC000278016084 1435350337 /nfs/dbraw/zinc/35/03/37/1435350337.db2.gz XPDHFPQZCBLBDJ-WDEREUQCSA-N 0 1 385.468 3.065 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)CC2)n[nH]1 ZINC000278036248 1435352556 /nfs/dbraw/zinc/35/25/56/1435352556.db2.gz KNJIBNYHAREBEW-LJQANCHMSA-N 0 1 396.491 3.083 20 0 GGADMN CCCN1CC(=O)N(c2ccc(NC(=O)CN3CCCCCCC3)cc2)C1=O ZINC000278081524 1435357368 /nfs/dbraw/zinc/35/73/68/1435357368.db2.gz KBUMHUJHXHLYQQ-UHFFFAOYSA-N 0 1 386.496 3.070 20 0 GGADMN CC(C)c1ccc(-c2noc(CCNC(=O)c3n[nH]c4ccccc43)n2)cn1 ZINC000278088122 1435357950 /nfs/dbraw/zinc/35/79/50/1435357950.db2.gz YGRYMPDOWWFTHJ-UHFFFAOYSA-N 0 1 376.420 3.104 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278104446 1435359677 /nfs/dbraw/zinc/35/96/77/1435359677.db2.gz ZAFGULJTVHUQNQ-AAEUAGOBSA-N 0 1 396.417 3.129 20 0 GGADMN COc1cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1OC(=O)C1CC1 ZINC000278116529 1435361200 /nfs/dbraw/zinc/36/12/00/1435361200.db2.gz AOEGPSSWIKVDSL-WMLDXEAASA-N 0 1 387.398 3.146 20 0 GGADMN COc1ccc(NC(=O)Cc2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc1OC ZINC000278123143 1435361868 /nfs/dbraw/zinc/36/18/68/1435361868.db2.gz RDAKENBMIUYMCM-HZSPNIEDSA-N 0 1 388.468 3.202 20 0 GGADMN COc1ccc(NC(=O)Cc2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)cc1OC ZINC000278123149 1435361874 /nfs/dbraw/zinc/36/18/74/1435361874.db2.gz RDAKENBMIUYMCM-IHRRRGAJSA-N 0 1 388.468 3.202 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000278126829 1435362202 /nfs/dbraw/zinc/36/22/02/1435362202.db2.gz UCVSBKOWQWRSEZ-ZDUSSCGKSA-N 0 1 378.379 3.253 20 0 GGADMN Cc1cnc(C2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)CC2)s1 ZINC000278158133 1435365149 /nfs/dbraw/zinc/36/51/49/1435365149.db2.gz OJCBNBRIDBQNCK-UHFFFAOYSA-N 0 1 384.509 3.212 20 0 GGADMN Cc1cc(NC(=O)CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)no1 ZINC000278186330 1435367655 /nfs/dbraw/zinc/36/76/55/1435367655.db2.gz BNPNXXRJJKYGEV-UHFFFAOYSA-N 0 1 399.369 3.116 20 0 GGADMN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000278197954 1435368595 /nfs/dbraw/zinc/36/85/95/1435368595.db2.gz FJSBCBWCGKEXRO-HXUWFJFHSA-N 0 1 389.565 3.177 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)c2sccc2CN(C)C)CCN1C(=O)OC(C)(C)C ZINC000278220779 1435370885 /nfs/dbraw/zinc/37/08/85/1435370885.db2.gz DTGCZOWHZLIFQW-UKRRQHHQSA-N 0 1 381.542 3.328 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)CCN1C(=O)OC(C)(C)C ZINC000278221293 1435370993 /nfs/dbraw/zinc/37/09/93/1435370993.db2.gz DVJDYZOGHJERDB-KGLIPLIRSA-N 0 1 385.464 3.458 20 0 GGADMN CN(C)C(=O)C[C@H]1CN(C(=O)[C@@](C)(N)c2ccccc2)c2ccc(Cl)cc21 ZINC000278247052 1435373095 /nfs/dbraw/zinc/37/30/95/1435373095.db2.gz MGVBBINHXSMJKB-QKKBWIMNSA-N 0 1 385.895 3.123 20 0 GGADMN FC(F)(F)Oc1cccc(C2(NCc3cn4cccnc4n3)CCOCC2)c1 ZINC000278255874 1435373814 /nfs/dbraw/zinc/37/38/14/1435373814.db2.gz HXBYRRAPTPQKAZ-UHFFFAOYSA-N 0 1 392.381 3.423 20 0 GGADMN Cc1ccccc1-c1nc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cs1 ZINC000278278250 1435375828 /nfs/dbraw/zinc/37/58/28/1435375828.db2.gz AEJMFVNQFQSVKT-MRXNPFEDSA-N 0 1 385.533 3.444 20 0 GGADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278306061 1435377976 /nfs/dbraw/zinc/37/79/76/1435377976.db2.gz CEWSYNTXUNQHRH-VXGBXAGGSA-N 0 1 388.434 3.075 20 0 GGADMN CC1(C)CCc2nc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)ncc2C1 ZINC000278312143 1435378476 /nfs/dbraw/zinc/37/84/76/1435378476.db2.gz JAWRBJILVYXADH-UHFFFAOYSA-N 0 1 384.461 3.046 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000278329458 1435380554 /nfs/dbraw/zinc/38/05/54/1435380554.db2.gz LAMZJJVWCBCNPR-QGZVFWFLSA-N 0 1 389.459 3.277 20 0 GGADMN COc1ccc(-c2ncc(C(=O)N[C@H]3CCCc4cn[nH]c43)s2)cc1OC ZINC000278341552 1435381873 /nfs/dbraw/zinc/38/18/73/1435381873.db2.gz FQRVMHOHUJGSCG-ZDUSSCGKSA-N 0 1 384.461 3.358 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC(Oc2ncccc2F)CC1 ZINC000278353110 1435383061 /nfs/dbraw/zinc/38/30/61/1435383061.db2.gz MWDMJWYMQYVATQ-UHFFFAOYSA-N 0 1 384.386 3.434 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)ccc1C ZINC000278366787 1435384255 /nfs/dbraw/zinc/38/42/55/1435384255.db2.gz OVAQNZHZWUVNCB-UHFFFAOYSA-N 0 1 388.493 3.059 20 0 GGADMN COC[C@@H](NC[C@@H](O)COc1c(OC)cccc1OC)c1ccc(Cl)cc1 ZINC000278369146 1435384606 /nfs/dbraw/zinc/38/46/06/1435384606.db2.gz GBEUOMOOEQWPHN-IAGOWNOFSA-N 0 1 395.883 3.074 20 0 GGADMN O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1[nH]nc2c1CCC2 ZINC000278384903 1435385910 /nfs/dbraw/zinc/38/59/10/1435385910.db2.gz PUAOXBKSZWIJED-UHFFFAOYSA-N 0 1 379.382 3.353 20 0 GGADMN COc1cc([C@H](C)NC(=O)[C@H]2CCCN2C2CC2)ccc1OCc1ccncc1 ZINC000278405321 1435388038 /nfs/dbraw/zinc/38/80/38/1435388038.db2.gz GHQZRVSSLQBIFY-OXJNMPFZSA-N 0 1 395.503 3.473 20 0 GGADMN CC(C)[C@H]1CCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278409293 1435388445 /nfs/dbraw/zinc/38/84/45/1435388445.db2.gz GWONYGGTXBVUDA-RHSMWYFYSA-N 0 1 376.501 3.395 20 0 GGADMN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278410265 1435388608 /nfs/dbraw/zinc/38/86/08/1435388608.db2.gz LRUXGYJIEVWHFM-HWWQOWPSSA-N 0 1 395.381 3.363 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1ccc(O)cc1OC(C)C ZINC000278411272 1435388619 /nfs/dbraw/zinc/38/86/19/1435388619.db2.gz FIJASRAQTMHRPH-UHFFFAOYSA-N 0 1 384.436 3.116 20 0 GGADMN O=C([C@H]1COc2ccccc2C1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278442099 1435391245 /nfs/dbraw/zinc/39/12/45/1435391245.db2.gz PKQNGGVGKHXZSN-UONOGXRCSA-N 0 1 379.382 3.386 20 0 GGADMN NC(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc21 ZINC000278448487 1435391549 /nfs/dbraw/zinc/39/15/49/1435391549.db2.gz AARFJDATKWDRIV-IBGZPJMESA-N 0 1 378.476 3.121 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000278503720 1435395539 /nfs/dbraw/zinc/39/55/39/1435395539.db2.gz NXCCQZJUYZIXCB-QGZVFWFLSA-N 0 1 381.476 3.199 20 0 GGADMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000278505760 1435395705 /nfs/dbraw/zinc/39/57/05/1435395705.db2.gz DLURFSFYPWHEFH-UHFFFAOYSA-N 0 1 396.459 3.263 20 0 GGADMN O=C(CCN1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000278514391 1435396365 /nfs/dbraw/zinc/39/63/65/1435396365.db2.gz NRVSNYJWNYGMMB-UHFFFAOYSA-N 0 1 394.471 3.381 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)[C@@H](C)C1 ZINC000278522698 1435397025 /nfs/dbraw/zinc/39/70/25/1435397025.db2.gz GVSHUNRQIQMAKF-RBUKOAKNSA-N 0 1 397.519 3.322 20 0 GGADMN COCc1nc2cc(NS(=O)(=O)c3c(C)cc(C)cc3OC)ccc2o1 ZINC000278531986 1435397815 /nfs/dbraw/zinc/39/78/15/1435397815.db2.gz VJTFONJOLDFDID-UHFFFAOYSA-N 0 1 376.434 3.400 20 0 GGADMN O=C([C@H]1CCCN1C1CC1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000278543426 1435398769 /nfs/dbraw/zinc/39/87/69/1435398769.db2.gz CVTXFQZMFHLJJT-MAUKXSAKSA-N 0 1 384.455 3.209 20 0 GGADMN CC(C)c1nc(C2CCN(CCC(=O)c3ccc4c(c3)OCCO4)CC2)no1 ZINC000278570371 1435401263 /nfs/dbraw/zinc/40/12/63/1435401263.db2.gz WSNRHYWDSZGUHM-UHFFFAOYSA-N 0 1 385.464 3.417 20 0 GGADMN COc1ccc(-c2ncc(C(=O)NCCCc3cn[nH]c3C)s2)cc1OC ZINC000278575848 1435401489 /nfs/dbraw/zinc/40/14/89/1435401489.db2.gz KWGGLMYOBULVIT-UHFFFAOYSA-N 0 1 386.477 3.221 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000278584232 1435402546 /nfs/dbraw/zinc/40/25/46/1435402546.db2.gz YVAJHLJCSQOXNE-CQSZACIVSA-N 0 1 388.899 3.055 20 0 GGADMN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCCN1C1CC1 ZINC000278607625 1435404888 /nfs/dbraw/zinc/40/48/88/1435404888.db2.gz JEFNOOXNQILCCE-NRFANRHFSA-N 0 1 387.487 3.177 20 0 GGADMN COc1ccc2nc(NC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)sc2c1 ZINC000278612486 1435405489 /nfs/dbraw/zinc/40/54/89/1435405489.db2.gz DBEFFTBVEZTFGC-ZDUSSCGKSA-N 0 1 390.509 3.022 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000278615335 1435405917 /nfs/dbraw/zinc/40/59/17/1435405917.db2.gz SAWFEJBYCNATSD-UHFFFAOYSA-N 0 1 377.444 3.106 20 0 GGADMN C[C@@H](c1ccncc1)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278621160 1435406737 /nfs/dbraw/zinc/40/67/37/1435406737.db2.gz KAYLTZFIBVZCMV-HOCLYGCPSA-N 0 1 399.495 3.362 20 0 GGADMN C[C@H](NCc1nnnn1CC1CCOCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000278643296 1435409156 /nfs/dbraw/zinc/40/91/56/1435409156.db2.gz HAONISSVLGJRLO-KGLIPLIRSA-N 0 1 397.445 3.400 20 0 GGADMN C[C@@H](NCc1nnnn1CC1CCOCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000278643311 1435409163 /nfs/dbraw/zinc/40/91/63/1435409163.db2.gz HAONISSVLGJRLO-ZIAGYGMSSA-N 0 1 397.445 3.400 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3nnn(CC4CCCC4)c3C)C1)CCCC2 ZINC000278650625 1435410151 /nfs/dbraw/zinc/41/01/51/1435410151.db2.gz FVDDXQPYOVJWIR-GOSISDBHSA-N 0 1 396.539 3.248 20 0 GGADMN COC(=O)c1coc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000278652274 1435410427 /nfs/dbraw/zinc/41/04/27/1435410427.db2.gz IDRGKAJBFZKPIS-HUUCEWRRSA-N 0 1 389.471 3.369 20 0 GGADMN CC(=O)CSCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000278674938 1435412924 /nfs/dbraw/zinc/41/29/24/1435412924.db2.gz HEJYVQQSLYDQHY-UHFFFAOYSA-N 0 1 391.537 3.152 20 0 GGADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)c1ccccc1 ZINC000278679868 1435413395 /nfs/dbraw/zinc/41/33/95/1435413395.db2.gz KXXDGADADNAADA-IBGZPJMESA-N 0 1 399.516 3.088 20 0 GGADMN CCc1c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)nnn1Cc1ccc(F)cc1 ZINC000278694377 1435414621 /nfs/dbraw/zinc/41/46/21/1435414621.db2.gz MFKDHCFLOJPZSM-UHFFFAOYSA-N 0 1 382.321 3.022 20 0 GGADMN COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000278701312 1435415242 /nfs/dbraw/zinc/41/52/42/1435415242.db2.gz NWBIQGAVCBFPMI-HOCLYGCPSA-N 0 1 381.419 3.071 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000278750423 1435420006 /nfs/dbraw/zinc/42/00/06/1435420006.db2.gz UIIQWDZFMQGYJF-UHFFFAOYSA-N 0 1 396.422 3.104 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000278791063 1435424247 /nfs/dbraw/zinc/42/42/47/1435424247.db2.gz OYXKZAZXNYBJCN-HNNXBMFYSA-N 0 1 394.328 3.330 20 0 GGADMN O=S1(=O)CCC(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000278823023 1435427251 /nfs/dbraw/zinc/42/72/51/1435427251.db2.gz IVFPXZBNHCKKNO-UHFFFAOYSA-N 0 1 399.556 3.462 20 0 GGADMN CN(Cc1ccccc1NC(=O)NCCN1CCCOCC1)c1ccccc1 ZINC000278824521 1435427332 /nfs/dbraw/zinc/42/73/32/1435427332.db2.gz VHIZRCMUWNFRBA-UHFFFAOYSA-N 0 1 382.508 3.167 20 0 GGADMN CCN(Cc1ccncc1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278829005 1435427976 /nfs/dbraw/zinc/42/79/76/1435427976.db2.gz YQBSGFOSZBVDJV-INIZCTEOSA-N 0 1 399.495 3.191 20 0 GGADMN O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C12CCC[NH+]1CCC2 ZINC000278837439 1435428999 /nfs/dbraw/zinc/42/89/99/1435428999.db2.gz KFPIBDQRDMPHBW-UHFFFAOYSA-N 0 1 385.489 3.054 20 0 GGADMN Cc1nc2ccnn2c(C)c1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278856859 1435431706 /nfs/dbraw/zinc/43/17/06/1435431706.db2.gz RVGFKDDIZHMTDB-LBPRGKRZSA-N 0 1 392.385 3.108 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccnc1SC(F)(F)F ZINC000278859800 1435432037 /nfs/dbraw/zinc/43/20/37/1435432037.db2.gz MVYQAHYWZAZBQP-LBPRGKRZSA-N 0 1 389.443 3.019 20 0 GGADMN Fc1cccc(Cc2noc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)n2)c1 ZINC000278876493 1435434346 /nfs/dbraw/zinc/43/43/46/1435434346.db2.gz ORYDRQWRJZDLDV-HNNXBMFYSA-N 0 1 382.443 3.175 20 0 GGADMN Fc1cccc(Cc2noc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)n2)c1 ZINC000278876493 1435434349 /nfs/dbraw/zinc/43/43/49/1435434349.db2.gz ORYDRQWRJZDLDV-HNNXBMFYSA-N 0 1 382.443 3.175 20 0 GGADMN CN(CCCCCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000278881939 1435434941 /nfs/dbraw/zinc/43/49/41/1435434941.db2.gz NFSXHEFKNJLUMS-INIZCTEOSA-N 0 1 375.494 3.113 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cc([C@@H]3CCCO3)nn2C)N2CCCC2)o1 ZINC000278884330 1435435195 /nfs/dbraw/zinc/43/51/95/1435435195.db2.gz DOBBNAAIKPZLMQ-SJORKVTESA-N 0 1 387.484 3.132 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278894871 1435436819 /nfs/dbraw/zinc/43/68/19/1435436819.db2.gz QWKKAINSPQWZBH-OAHLLOKOSA-N 0 1 384.480 3.367 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)CCN1Cc1ccccc1 ZINC000278896029 1435436850 /nfs/dbraw/zinc/43/68/50/1435436850.db2.gz FKIGOBYQCLQMHF-QUCCMNQESA-N 0 1 397.523 3.400 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000278894877 1435436965 /nfs/dbraw/zinc/43/69/65/1435436965.db2.gz QWYMRULJIWXIOO-KRWDZBQOSA-N 0 1 381.476 3.199 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278894870 1435436977 /nfs/dbraw/zinc/43/69/77/1435436977.db2.gz QWKKAINSPQWZBH-HNNXBMFYSA-N 0 1 384.480 3.367 20 0 GGADMN Cc1csc(-c2cccc(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)c2)n1 ZINC000278919840 1435440058 /nfs/dbraw/zinc/44/00/58/1435440058.db2.gz UQLBSGHXFIPIDJ-INIZCTEOSA-N 0 1 385.533 3.444 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000278921571 1435440287 /nfs/dbraw/zinc/44/02/87/1435440287.db2.gz UXXGHRUXJFYUNE-AWEZNQCLSA-N 0 1 389.496 3.275 20 0 GGADMN CCc1c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cnn1-c1ccccc1C ZINC000278921535 1435440321 /nfs/dbraw/zinc/44/03/21/1435440321.db2.gz UWZUJGCKDLYTHG-GOSISDBHSA-N 0 1 396.535 3.068 20 0 GGADMN CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1C ZINC000278925181 1435440561 /nfs/dbraw/zinc/44/05/61/1435440561.db2.gz JBEKFSRIBQSUTI-UHFFFAOYSA-N 0 1 395.467 3.129 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1c(Cl)nccc1C(F)(F)F ZINC000278935982 1435442147 /nfs/dbraw/zinc/44/21/47/1435442147.db2.gz WZCSPKSIUHJGGM-NSHDSACASA-N 0 1 391.821 3.079 20 0 GGADMN O=C(CN1CCc2ccccc2C1=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000278944382 1435443090 /nfs/dbraw/zinc/44/30/90/1435443090.db2.gz CMURLSMOTDZWOR-LJQANCHMSA-N 0 1 390.443 3.051 20 0 GGADMN O=C(CN1CCc2ccccc2C1=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000278944379 1435443222 /nfs/dbraw/zinc/44/32/22/1435443222.db2.gz CMURLSMOTDZWOR-IBGZPJMESA-N 0 1 390.443 3.051 20 0 GGADMN Cc1c(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)noc1-c1ccccc1F ZINC000278945130 1435443336 /nfs/dbraw/zinc/44/33/36/1435443336.db2.gz LOENDRZWFYJZQK-ZDUSSCGKSA-N 0 1 390.459 3.098 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2nnn(CC3CCCC3)c2C)N2CCCC2)o1 ZINC000278948292 1435443979 /nfs/dbraw/zinc/44/39/79/1435443979.db2.gz CVTYSGIVVGKSGS-SFHVURJKSA-N 0 1 385.512 3.245 20 0 GGADMN COc1cc(CC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc(OC)c1O ZINC000278950609 1435444391 /nfs/dbraw/zinc/44/43/91/1435444391.db2.gz CYVTVCGWDADOTD-INIZCTEOSA-N 0 1 397.431 3.318 20 0 GGADMN O=C(Nc1nc(C2CCC2)cs1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000278956890 1435445142 /nfs/dbraw/zinc/44/51/42/1435445142.db2.gz WKSFCJVBBVWODJ-KRWDZBQOSA-N 0 1 398.532 3.302 20 0 GGADMN O=C(Nc1nc(C2CCC2)cs1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000278956891 1435445266 /nfs/dbraw/zinc/44/52/66/1435445266.db2.gz WKSFCJVBBVWODJ-QGZVFWFLSA-N 0 1 398.532 3.302 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278962855 1435446069 /nfs/dbraw/zinc/44/60/69/1435446069.db2.gz BCUQCLFFKTXBQP-MRVPVSSYSA-N 0 1 397.382 3.163 20 0 GGADMN CCN(C(=O)c1cc(NC(=O)NCCc2nc(C)n[nH]2)ccc1Cl)C(C)C ZINC000278969127 1435446757 /nfs/dbraw/zinc/44/67/57/1435446757.db2.gz PXHHWRAXSDXFCM-UHFFFAOYSA-N 0 1 392.891 3.001 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000278969124 1435446835 /nfs/dbraw/zinc/44/68/35/1435446835.db2.gz XLNNRELRNOZWDY-UHFFFAOYSA-N 0 1 379.342 3.150 20 0 GGADMN Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000278972329 1435447303 /nfs/dbraw/zinc/44/73/03/1435447303.db2.gz LJZGSPSLMVFYFO-LJQANCHMSA-N 0 1 397.523 3.400 20 0 GGADMN CCN(Cc1ccccn1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278984587 1435448696 /nfs/dbraw/zinc/44/86/96/1435448696.db2.gz FAQYJZHRGISMLT-HNNXBMFYSA-N 0 1 399.495 3.191 20 0 GGADMN CN(C)[C@H](CNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1cccs1 ZINC000278990123 1435449339 /nfs/dbraw/zinc/44/93/39/1435449339.db2.gz MRANBWGBIXYMPS-UYSNPLJNSA-N 0 1 379.570 3.188 20 0 GGADMN COC[C@H](NCC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000278993025 1435449649 /nfs/dbraw/zinc/44/96/49/1435449649.db2.gz BNZBIPYQKCDGFK-UEXGIBASSA-N 0 1 388.533 3.046 20 0 GGADMN C[C@H]1c2ccsc2CCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000279030733 1435453861 /nfs/dbraw/zinc/45/38/61/1435453861.db2.gz WBYROWBZFOBVNY-LBPRGKRZSA-N 0 1 385.514 3.283 20 0 GGADMN CCCCN(CCOC)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279033492 1435454235 /nfs/dbraw/zinc/45/42/35/1435454235.db2.gz NSKUZBDMASJNGN-OAHLLOKOSA-N 0 1 394.516 3.023 20 0 GGADMN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279041296 1435454882 /nfs/dbraw/zinc/45/48/82/1435454882.db2.gz OOYAWPPBONRJGF-HZSPNIEDSA-N 0 1 394.541 3.100 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(F)(F)c1ncccc1C ZINC000279065966 1435457062 /nfs/dbraw/zinc/45/70/62/1435457062.db2.gz QNINPUBYMZHNLB-GOSISDBHSA-N 0 1 388.462 3.390 20 0 GGADMN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000279065368 1435457143 /nfs/dbraw/zinc/45/71/43/1435457143.db2.gz ZLTMUWKOKITUNE-JOCHJYFZSA-N 0 1 380.488 3.202 20 0 GGADMN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000279065368 1435457146 /nfs/dbraw/zinc/45/71/46/1435457146.db2.gz ZLTMUWKOKITUNE-JOCHJYFZSA-N 0 1 380.488 3.202 20 0 GGADMN O=C(c1ccc(O[C@H]2CCOC2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000279065371 1435457162 /nfs/dbraw/zinc/45/71/62/1435457162.db2.gz ZLTMUWKOKITUNE-QFIPXVFZSA-N 0 1 380.488 3.202 20 0 GGADMN O=C(c1ccc(O[C@H]2CCOC2)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000279065371 1435457165 /nfs/dbraw/zinc/45/71/65/1435457165.db2.gz ZLTMUWKOKITUNE-QFIPXVFZSA-N 0 1 380.488 3.202 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3Cc4ccccc4C3)[nH]n2)C1 ZINC000279114727 1435461801 /nfs/dbraw/zinc/46/18/01/1435461801.db2.gz WIPIQVVMNTWELA-INIZCTEOSA-N 0 1 382.464 3.290 20 0 GGADMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cccc(OC[C@H]2CCCO2)c1 ZINC000279116488 1435461966 /nfs/dbraw/zinc/46/19/66/1435461966.db2.gz CQJCKQFQNKVSDH-MRXNPFEDSA-N 0 1 382.395 3.421 20 0 GGADMN O=C(Nc1nc(C2CCC2)cs1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000279118274 1435462158 /nfs/dbraw/zinc/46/21/58/1435462158.db2.gz ULAKGFBNGPAILN-UHFFFAOYSA-N 0 1 398.532 3.084 20 0 GGADMN Cc1ccnc(-c2nnc([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)[n-]2)c1 ZINC000279123792 1435462579 /nfs/dbraw/zinc/46/25/79/1435462579.db2.gz XNKORGUKSXLUPP-VQIMIIECSA-N 0 1 390.491 3.017 20 0 GGADMN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@H]3CCCN3Cc3ccccc3)n2)c1 ZINC000279123792 1435462585 /nfs/dbraw/zinc/46/25/85/1435462585.db2.gz XNKORGUKSXLUPP-VQIMIIECSA-N 0 1 390.491 3.017 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cc([C@H]3CCCO3)nn2C)CC1 ZINC000279131606 1435463481 /nfs/dbraw/zinc/46/34/81/1435463481.db2.gz YUZDBYFRRSVMNB-DNVCBOLYSA-N 0 1 398.511 3.014 20 0 GGADMN CCn1nccc1C1CCN(C(=O)c2c[nH]c3cc(OC)ccc3c2=O)CC1 ZINC000279179623 1435468012 /nfs/dbraw/zinc/46/80/12/1435468012.db2.gz IGRBWGXJNTVLCK-UHFFFAOYSA-N 0 1 380.448 3.185 20 0 GGADMN CCn1nccc1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 ZINC000279182413 1435468299 /nfs/dbraw/zinc/46/82/99/1435468299.db2.gz GXPMZHAPPLKNQJ-UHFFFAOYSA-N 0 1 379.464 3.322 20 0 GGADMN CCn1nccc1C1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 ZINC000279191869 1435469545 /nfs/dbraw/zinc/46/95/45/1435469545.db2.gz IAVXRYQYMIRVCX-UHFFFAOYSA-N 0 1 379.464 3.322 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)[nH]1 ZINC000279196048 1435470368 /nfs/dbraw/zinc/47/03/68/1435470368.db2.gz KVUPFRPCWWBOIC-UHFFFAOYSA-N 0 1 387.509 3.169 20 0 GGADMN COc1ccc([C@@H](O)CNCc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC000279199976 1435470890 /nfs/dbraw/zinc/47/08/90/1435470890.db2.gz FYKCDDJRROLQPW-KRWDZBQOSA-N 0 1 381.831 3.356 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000279208662 1435471769 /nfs/dbraw/zinc/47/17/69/1435471769.db2.gz KVHAACWACLXMAF-INIZCTEOSA-N 0 1 395.381 3.302 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000279230695 1435474520 /nfs/dbraw/zinc/47/45/20/1435474520.db2.gz DTBRCJZZSLXCQY-CJNGLKHVSA-N 0 1 380.414 3.419 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000279230692 1435474555 /nfs/dbraw/zinc/47/45/55/1435474555.db2.gz DTBRCJZZSLXCQY-BBRMVZONSA-N 0 1 380.414 3.419 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1ccco1 ZINC000279237864 1435475478 /nfs/dbraw/zinc/47/54/78/1435475478.db2.gz NSGFFLDVACVPJD-ABHNRTSZSA-N 0 1 391.556 3.500 20 0 GGADMN CCn1nccc1C1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000279244314 1435476358 /nfs/dbraw/zinc/47/63/58/1435476358.db2.gz OLEKJJATXQIJMT-SFHVURJKSA-N 0 1 375.542 3.156 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NC[C@H]1CCSC1 ZINC000279248925 1435477098 /nfs/dbraw/zinc/47/70/98/1435477098.db2.gz RRGPDOZMPSWSHY-CQSZACIVSA-N 0 1 391.562 3.115 20 0 GGADMN C[C@@H]1CCSCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279292900 1435482811 /nfs/dbraw/zinc/48/28/11/1435482811.db2.gz KMFYMGSMBLHMDE-ZIAGYGMSSA-N 0 1 394.541 3.102 20 0 GGADMN CCOC(=O)c1ncn(C2CCN(Cc3ccccc3OC(F)F)CC2)c1N ZINC000279307143 1435484327 /nfs/dbraw/zinc/48/43/27/1435484327.db2.gz QXYWLABQINSUTF-UHFFFAOYSA-N 0 1 394.422 3.081 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cc([C@H]4CCCO4)nn3C)[nH]2)c1 ZINC000279355199 1435490477 /nfs/dbraw/zinc/49/04/77/1435490477.db2.gz RGLJBWIWLVXCCR-MRXNPFEDSA-N 0 1 381.436 3.231 20 0 GGADMN CCc1c(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)nnn1Cc1ccc(F)cc1 ZINC000279369259 1435491978 /nfs/dbraw/zinc/49/19/78/1435491978.db2.gz WKONMHWDQJGTCF-CHWSQXEVSA-N 0 1 399.474 3.151 20 0 GGADMN CCc1c(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)nnn1Cc1ccc(F)cc1 ZINC000279369267 1435492043 /nfs/dbraw/zinc/49/20/43/1435492043.db2.gz WKONMHWDQJGTCF-STQMWFEESA-N 0 1 399.474 3.151 20 0 GGADMN CN(CCCCCO)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000279414545 1435496826 /nfs/dbraw/zinc/49/68/26/1435496826.db2.gz HZDMCIRPCFUETC-UHFFFAOYSA-N 0 1 381.948 3.356 20 0 GGADMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)CC(=O)N(C)c3ccccc3)n2)c1 ZINC000279432419 1435498631 /nfs/dbraw/zinc/49/86/31/1435498631.db2.gz GTCGQWGYSRYNIH-HOTGVXAUSA-N 0 1 378.480 3.267 20 0 GGADMN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)CC(=O)N(C)c3ccccc3)n2)c1 ZINC000279432421 1435498639 /nfs/dbraw/zinc/49/86/39/1435498639.db2.gz GTCGQWGYSRYNIH-HZPDHXFCSA-N 0 1 378.480 3.267 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000279457067 1435501440 /nfs/dbraw/zinc/50/14/40/1435501440.db2.gz ZURNLGUGBOLXQJ-XHDPSFHLSA-N 0 1 382.386 3.237 20 0 GGADMN Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)nnn1CC1CCCC1 ZINC000279457730 1435501452 /nfs/dbraw/zinc/50/14/52/1435501452.db2.gz MOHMLHWXVZPVOS-MRXNPFEDSA-N 0 1 396.539 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@H]3c3ccc[nH]3)[nH]n2)C1 ZINC000279500007 1435506573 /nfs/dbraw/zinc/50/65/73/1435506573.db2.gz MNHKULUJEUEJFR-KDOFPFPSSA-N 0 1 399.495 3.440 20 0 GGADMN CCCCN(C)C(=O)C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279536225 1435510712 /nfs/dbraw/zinc/51/07/12/1435510712.db2.gz CJAIYUUDFBPZBG-UHFFFAOYSA-N 0 1 389.931 3.391 20 0 GGADMN CCCNC(=O)c1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000279548412 1435511984 /nfs/dbraw/zinc/51/19/84/1435511984.db2.gz BAIQJFMEQQQUHZ-UHFFFAOYSA-N 0 1 383.883 3.350 20 0 GGADMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)CC(=O)Nc3cccnc3Cl)n2)c1 ZINC000279557067 1435512611 /nfs/dbraw/zinc/51/26/11/1435512611.db2.gz RLDQNANLXHBAIB-OLZOCXBDSA-N 0 1 399.886 3.291 20 0 GGADMN COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000279555302 1435512694 /nfs/dbraw/zinc/51/26/94/1435512694.db2.gz RGWDNEPGUJZZHS-CABCVRRESA-N 0 1 394.479 3.252 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000279557187 1435513013 /nfs/dbraw/zinc/51/30/13/1435513013.db2.gz RLYIGCQPNUQVGL-HXUWFJFHSA-N 0 1 399.516 3.361 20 0 GGADMN CS(=O)(=O)C1(CNCc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000279583361 1435515716 /nfs/dbraw/zinc/51/57/16/1435515716.db2.gz BRNKWTIARAHYCW-UHFFFAOYSA-N 0 1 387.530 3.268 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000279602444 1435517628 /nfs/dbraw/zinc/51/76/28/1435517628.db2.gz WKSCZCDIWCKHTD-GRYCIOLGSA-N 0 1 394.463 3.021 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000279602446 1435517877 /nfs/dbraw/zinc/51/78/77/1435517877.db2.gz WKSCZCDIWCKHTD-IJLUTSLNSA-N 0 1 394.463 3.021 20 0 GGADMN CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000279620470 1435519889 /nfs/dbraw/zinc/51/98/89/1435519889.db2.gz AUBCXNOMSFSDHY-JENIJYKNSA-N 0 1 391.531 3.350 20 0 GGADMN CS(=O)(=O)C1(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000279646762 1435523218 /nfs/dbraw/zinc/52/32/18/1435523218.db2.gz JYBDIDDONUMJJB-UHFFFAOYSA-N 0 1 392.908 3.259 20 0 GGADMN CC[C@@H](CSC)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279657390 1435524821 /nfs/dbraw/zinc/52/48/21/1435524821.db2.gz BZYFLEVTAFWBGK-KBPBESRZSA-N 0 1 396.557 3.348 20 0 GGADMN C[C@H]1CN(CCc2nc(-c3ccc(Cl)cc3)no2)CC2(CCOCC2)O1 ZINC000279667655 1435526418 /nfs/dbraw/zinc/52/64/18/1435526418.db2.gz DDSRKRDOOALCJP-AWEZNQCLSA-N 0 1 377.872 3.202 20 0 GGADMN C[C@@H]1CN(CCc2nc(-c3ccc(Cl)cc3)no2)CC2(CCOCC2)O1 ZINC000279667659 1435526590 /nfs/dbraw/zinc/52/65/90/1435526590.db2.gz DDSRKRDOOALCJP-CQSZACIVSA-N 0 1 377.872 3.202 20 0 GGADMN CCOc1cc(CNCC2(S(C)(=O)=O)CC2)ccc1OCc1ccccc1 ZINC000279677933 1435528284 /nfs/dbraw/zinc/52/82/84/1435528284.db2.gz OGGGRNOOFGLNTH-UHFFFAOYSA-N 0 1 389.517 3.331 20 0 GGADMN O=S1(=O)CC[C@@H](CN2CCC(COc3ccccc3C(F)(F)F)CC2)C1 ZINC000279680620 1435528481 /nfs/dbraw/zinc/52/84/81/1435528481.db2.gz GNUDOJADSUQKTC-HNNXBMFYSA-N 0 1 391.455 3.231 20 0 GGADMN CCOc1cc(CN2CCSC(C)(C)CC2)nc2nc(C(F)(F)F)nn21 ZINC000279719549 1435534615 /nfs/dbraw/zinc/53/46/15/1435534615.db2.gz LMNYIZCLANVJSN-UHFFFAOYSA-N 0 1 389.447 3.259 20 0 GGADMN CCCN(CC1CC1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279722441 1435535096 /nfs/dbraw/zinc/53/50/96/1435535096.db2.gz MKXPDBPRDUSWTN-OAHLLOKOSA-N 0 1 376.501 3.396 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)C2)CC1 ZINC000279731055 1435535911 /nfs/dbraw/zinc/53/59/11/1435535911.db2.gz CFTRHHYBHBQOHV-IHPCNDPISA-N 0 1 390.959 3.007 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)n[nH]1 ZINC000279735962 1435536638 /nfs/dbraw/zinc/53/66/38/1435536638.db2.gz SKNOBIULYWOTJR-VIFPVBQESA-N 0 1 375.433 3.216 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCc2ccc(=O)[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279755606 1435538777 /nfs/dbraw/zinc/53/87/77/1435538777.db2.gz DKAPATBOUILEQM-MGPUTAFESA-N 0 1 391.874 3.322 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2nccnc2cc1F ZINC000279782023 1435542307 /nfs/dbraw/zinc/54/23/07/1435542307.db2.gz ULOSEPPXPPLEKZ-UHFFFAOYSA-N 0 1 379.439 3.081 20 0 GGADMN C[C@H]1c2cccn2CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279796940 1435544361 /nfs/dbraw/zinc/54/43/61/1435544361.db2.gz VSIRHRLTKSRKPH-GJZGRUSLSA-N 0 1 399.495 3.153 20 0 GGADMN CN(C)C(=O)Nc1ccc(CNCc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000279808293 1435545853 /nfs/dbraw/zinc/54/58/53/1435545853.db2.gz AGRLHMFHJLWRBF-UHFFFAOYSA-N 0 1 393.390 3.400 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cc3nccnc3cc2F)N2CCCC2)cc1 ZINC000279829372 1435548285 /nfs/dbraw/zinc/54/82/85/1435548285.db2.gz YVVNVGRUKASHIL-OAQYLSRUSA-N 0 1 394.450 3.344 20 0 GGADMN C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCCCCO)c1ccccc1 ZINC000279835480 1435548772 /nfs/dbraw/zinc/54/87/72/1435548772.db2.gz ZZQITJYWNAQMNA-GOSISDBHSA-N 0 1 397.519 3.211 20 0 GGADMN C[C@@H](NC(=O)c1ccccc1NC(=O)CN(C)CCCCCO)c1ccccc1 ZINC000279835480 1435548779 /nfs/dbraw/zinc/54/87/79/1435548779.db2.gz ZZQITJYWNAQMNA-GOSISDBHSA-N 0 1 397.519 3.211 20 0 GGADMN CCC[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1nn[nH]n1 ZINC000279919706 1435563381 /nfs/dbraw/zinc/56/33/81/1435563381.db2.gz VYLFLRLOSSVTHI-OAHLLOKOSA-N 0 1 388.472 3.137 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1 ZINC000279952162 1435568567 /nfs/dbraw/zinc/56/85/67/1435568567.db2.gz BVDSBZACMYSWBS-VQTJNVASSA-N 0 1 396.487 3.090 20 0 GGADMN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cccc(-c3nnc[nH]3)c2)sc1C ZINC000279960818 1435569973 /nfs/dbraw/zinc/56/99/73/1435569973.db2.gz KKBQLDLHZGJSBU-CQSZACIVSA-N 0 1 397.460 3.001 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cn1 ZINC000280005393 1435575034 /nfs/dbraw/zinc/57/50/34/1435575034.db2.gz LKOGYWRIXILTJE-GOSISDBHSA-N 0 1 392.463 3.271 20 0 GGADMN CN(C)C(=O)Nc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000280004451 1435575228 /nfs/dbraw/zinc/57/52/28/1435575228.db2.gz KMSLGBAWORHGKC-HXUWFJFHSA-N 0 1 380.492 3.061 20 0 GGADMN COc1cc(OC)c(OC)cc1CNCc1ccc(Cl)cc1-n1cncn1 ZINC000280011402 1435576179 /nfs/dbraw/zinc/57/61/79/1435576179.db2.gz SNIPAQHOYQUYIE-UHFFFAOYSA-N 0 1 388.855 3.236 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3C[C@H](C(C)C)c4ccccc43)C2)CC1 ZINC000280040196 1435581039 /nfs/dbraw/zinc/58/10/39/1435581039.db2.gz ZFVVICYWDIQKMN-VLCRHTCISA-N 0 1 384.568 3.292 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3C[C@H](C(C)C)c4ccccc43)C2)CC1 ZINC000280040188 1435581133 /nfs/dbraw/zinc/58/11/33/1435581133.db2.gz ZFVVICYWDIQKMN-STZQEDGTSA-N 0 1 384.568 3.292 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000280046327 1435582551 /nfs/dbraw/zinc/58/25/51/1435582551.db2.gz JIIJWYIGLOVXOF-CYBMUJFWSA-N 0 1 394.518 3.349 20 0 GGADMN O=C(Nc1cccc(CNCc2ccnn2-c2ccc(F)cc2)c1)[C@H]1CCCO1 ZINC000280057260 1435584664 /nfs/dbraw/zinc/58/46/64/1435584664.db2.gz WPISUUSUXATSPU-OAQYLSRUSA-N 0 1 394.450 3.419 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)nn2C)ccc1OC(C)C ZINC000280074994 1435587361 /nfs/dbraw/zinc/58/73/61/1435587361.db2.gz MLWZEMYAXNXRFH-HNNXBMFYSA-N 0 1 393.509 3.211 20 0 GGADMN C[C@]1(O)CCCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000280109394 1435593801 /nfs/dbraw/zinc/59/38/01/1435593801.db2.gz XTWCOQINFMMDON-FQEVSTJZSA-N 0 1 379.932 3.251 20 0 GGADMN C[C@@]1(O)CCCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000280109398 1435594133 /nfs/dbraw/zinc/59/41/33/1435594133.db2.gz XTWCOQINFMMDON-HXUWFJFHSA-N 0 1 379.932 3.251 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000280122065 1435595547 /nfs/dbraw/zinc/59/55/47/1435595547.db2.gz UPAWLTPVAYEVFX-MRXNPFEDSA-N 0 1 398.511 3.008 20 0 GGADMN Cc1nc2cc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000280126448 1435596183 /nfs/dbraw/zinc/59/61/83/1435596183.db2.gz UYJWISBXSXTBKT-IBGZPJMESA-N 0 1 379.460 3.157 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](N[C@H]1CCN(Cc3ccc(F)cc3)C1=O)CC2 ZINC000280154081 1435600457 /nfs/dbraw/zinc/60/04/57/1435600457.db2.gz QIWDFJBGKBFBDO-OALUTQOASA-N 0 1 384.451 3.221 20 0 GGADMN CCOC(=O)CCN(Cc1cccnc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280161747 1435601915 /nfs/dbraw/zinc/60/19/15/1435601915.db2.gz FDSOVKAYOCRLKE-UHFFFAOYSA-N 0 1 399.882 3.271 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cc([C@H]3CCCOC3)nn2C)C[N@H+]1Cc1ccccc1 ZINC000280164605 1435602278 /nfs/dbraw/zinc/60/22/78/1435602278.db2.gz NOENOUHWTUUMDN-NZSAHSFTSA-N 0 1 397.523 3.099 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)C[N@H+]1Cc1ccccc1 ZINC000280164596 1435602297 /nfs/dbraw/zinc/60/22/97/1435602297.db2.gz NOENOUHWTUUMDN-BHIYHBOVSA-N 0 1 397.523 3.099 20 0 GGADMN CCc1c(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cnn1CCC(C)C ZINC000280172188 1435603464 /nfs/dbraw/zinc/60/34/64/1435603464.db2.gz SJNXRZNPGKLNQR-AWEZNQCLSA-N 0 1 376.423 3.133 20 0 GGADMN COc1cccc(CNC(=O)CN2CCC(n3c(C)nc4ccccc43)CC2)c1 ZINC000280205604 1435608389 /nfs/dbraw/zinc/60/83/89/1435608389.db2.gz JLSJLQSRDKPNJJ-UHFFFAOYSA-N 0 1 392.503 3.307 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000280218883 1435611596 /nfs/dbraw/zinc/61/15/96/1435611596.db2.gz UPKKXMFWFAUMFQ-SFHVURJKSA-N 0 1 375.490 3.275 20 0 GGADMN C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000280229718 1435614317 /nfs/dbraw/zinc/61/43/17/1435614317.db2.gz JLIYYGBNHREGMR-IFXJQAMLSA-N 0 1 378.469 3.141 20 0 GGADMN COCCOC1CCC(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000280251036 1435619118 /nfs/dbraw/zinc/61/91/18/1435619118.db2.gz UHTVMEBKOCIVOC-UHFFFAOYSA-N 0 1 378.860 3.285 20 0 GGADMN CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000280272082 1435622952 /nfs/dbraw/zinc/62/29/52/1435622952.db2.gz CWQHCMXOEAGTLZ-OAQYLSRUSA-N 0 1 391.581 3.065 20 0 GGADMN OC[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1OC(F)(F)F ZINC000280282638 1435624939 /nfs/dbraw/zinc/62/49/39/1435624939.db2.gz DPTUMCNGLZMGNX-KBPBESRZSA-N 0 1 377.309 3.220 20 0 GGADMN OC[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccccc1OC(F)(F)F ZINC000280282641 1435625002 /nfs/dbraw/zinc/62/50/02/1435625002.db2.gz DPTUMCNGLZMGNX-UONOGXRCSA-N 0 1 377.309 3.220 20 0 GGADMN OC[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1OC(F)(F)F ZINC000280282640 1435625338 /nfs/dbraw/zinc/62/53/38/1435625338.db2.gz DPTUMCNGLZMGNX-KGLIPLIRSA-N 0 1 377.309 3.220 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cccc(N2CCC2=O)c1 ZINC000280292598 1435627967 /nfs/dbraw/zinc/62/79/67/1435627967.db2.gz WNPYUKAHQMFVRF-SFHVURJKSA-N 0 1 382.464 3.365 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C)c1ccco1 ZINC000280294329 1435628144 /nfs/dbraw/zinc/62/81/44/1435628144.db2.gz WQVMJNKAEBKOGA-WBVHZDCISA-N 0 1 389.500 3.112 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1cc([C@H]2CCCOC2)nn1C)c1ccco1 ZINC000280294327 1435628338 /nfs/dbraw/zinc/62/83/38/1435628338.db2.gz WQVMJNKAEBKOGA-RDJZCZTQSA-N 0 1 389.500 3.112 20 0 GGADMN COc1cc(-c2nnc(CN3CCC[C@](C)(OC)CC3)o2)cc(OC)c1OC ZINC000280293335 1435628411 /nfs/dbraw/zinc/62/84/11/1435628411.db2.gz FHOGMASQAGJFGG-FQEVSTJZSA-N 0 1 391.468 3.153 20 0 GGADMN O=C1CCCN1C[C@@H](NCc1ccc(Cl)cc1-n1cncn1)c1ccccc1 ZINC000280311696 1435632384 /nfs/dbraw/zinc/63/23/84/1435632384.db2.gz XCDPDTNFZHTFKJ-LJQANCHMSA-N 0 1 395.894 3.374 20 0 GGADMN OC[C@@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1OC(F)(F)F ZINC000280328599 1435636667 /nfs/dbraw/zinc/63/66/67/1435636667.db2.gz HNFILGBZLALBPK-HUUCEWRRSA-N 0 1 377.309 3.220 20 0 GGADMN OC[C@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1OC(F)(F)F ZINC000280328603 1435636676 /nfs/dbraw/zinc/63/66/76/1435636676.db2.gz HNFILGBZLALBPK-LSDHHAIUSA-N 0 1 377.309 3.220 20 0 GGADMN O=C(Nc1cccc(N2CCC2=O)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000280384717 1435650196 /nfs/dbraw/zinc/65/01/96/1435650196.db2.gz FCFBCNQFWOBUAB-UHFFFAOYSA-N 0 1 378.476 3.163 20 0 GGADMN C[C@@]1(NCc2nccn2CC(F)(F)F)CCN(C(=O)OCc2ccccc2)C1 ZINC000280409956 1435655615 /nfs/dbraw/zinc/65/56/15/1435655615.db2.gz YLSWIWXGQXIKKY-GOSISDBHSA-N 0 1 396.413 3.336 20 0 GGADMN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000280455286 1435663721 /nfs/dbraw/zinc/66/37/21/1435663721.db2.gz FDKNVSZCSPVLRO-HOTGVXAUSA-N 0 1 399.535 3.495 20 0 GGADMN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000280455290 1435663911 /nfs/dbraw/zinc/66/39/11/1435663911.db2.gz FDKNVSZCSPVLRO-IYBDPMFKSA-N 0 1 399.535 3.495 20 0 GGADMN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000280455287 1435663946 /nfs/dbraw/zinc/66/39/46/1435663946.db2.gz FDKNVSZCSPVLRO-HZPDHXFCSA-N 0 1 399.535 3.495 20 0 GGADMN O=C1O[C@@H](CN[C@H](CO)c2ccccc2OC(F)(F)F)CN1c1ccccc1 ZINC000280490664 1435668886 /nfs/dbraw/zinc/66/88/86/1435668886.db2.gz MEEXUSJGAWRNCH-GOEBONIOSA-N 0 1 396.365 3.234 20 0 GGADMN Cc1cccc(CC2(O)CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)c1 ZINC000280490669 1435668924 /nfs/dbraw/zinc/66/89/24/1435668924.db2.gz MEFOMGBFQZZGCZ-UHFFFAOYSA-N 0 1 397.906 3.226 20 0 GGADMN C[C@H]1OCC[C@]12CN(CCC(=O)NC(c1ccccc1)c1ccccc1)CCO2 ZINC000280504526 1435670828 /nfs/dbraw/zinc/67/08/28/1435670828.db2.gz RAHMXVLHCRIXLJ-DVECYGJZSA-N 0 1 394.515 3.162 20 0 GGADMN CNC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000280531026 1435674296 /nfs/dbraw/zinc/67/42/96/1435674296.db2.gz CXTHEOUBZNBRTO-AOMKIAJQSA-N 0 1 381.476 3.264 20 0 GGADMN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000280531029 1435674388 /nfs/dbraw/zinc/67/43/88/1435674388.db2.gz CXTHEOUBZNBRTO-KSFYIVLOSA-N 0 1 381.476 3.264 20 0 GGADMN CCC[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@H](O)c1ccccc1 ZINC000280544444 1435676532 /nfs/dbraw/zinc/67/65/32/1435676532.db2.gz KOQDYQUHLCYIBZ-DOTOQJQBSA-N 0 1 383.473 3.256 20 0 GGADMN CCC[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)[C@@H](O)c1ccccc1 ZINC000280544457 1435676568 /nfs/dbraw/zinc/67/65/68/1435676568.db2.gz KOQDYQUHLCYIBZ-WBVHZDCISA-N 0 1 383.473 3.256 20 0 GGADMN CCn1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(C(F)(F)F)n1 ZINC000280543470 1435676914 /nfs/dbraw/zinc/67/69/14/1435676914.db2.gz IHXSJJZVQCQJCD-ZDUSSCGKSA-N 0 1 380.414 3.098 20 0 GGADMN CO[C@@]1(C)CCCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000280554242 1435678617 /nfs/dbraw/zinc/67/86/17/1435678617.db2.gz QRANPLPEUQMPID-UWJYYQICSA-N 0 1 385.464 3.441 20 0 GGADMN Cc1ccc([C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2ccccn2)cc1 ZINC000280559247 1435679937 /nfs/dbraw/zinc/67/99/37/1435679937.db2.gz LMDJJKZDJMZKRK-IRXDYDNUSA-N 0 1 393.409 3.299 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)[nH]n1 ZINC000280565277 1435680649 /nfs/dbraw/zinc/68/06/49/1435680649.db2.gz LYUJZDUNAWRQPP-UHFFFAOYSA-N 0 1 395.467 3.081 20 0 GGADMN CCn1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c(C(F)(F)F)n1 ZINC000280564260 1435680683 /nfs/dbraw/zinc/68/06/83/1435680683.db2.gz KUCUVQMZHBLDKA-UHFFFAOYSA-N 0 1 394.441 3.489 20 0 GGADMN CCc1ccc(-c2noc([C@@H](C)N[C@H](C)C3CCS(=O)(=O)CC3)n2)cc1 ZINC000280623343 1435691920 /nfs/dbraw/zinc/69/19/20/1435691920.db2.gz PSPLSCPYBVDDHH-ZIAGYGMSSA-N 0 1 377.510 3.163 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@](C)(OC)CC3)n2)cc(OC)c1OC ZINC000280635039 1435694189 /nfs/dbraw/zinc/69/41/89/1435694189.db2.gz XRCXXUGEWMIGBP-FQEVSTJZSA-N 0 1 391.468 3.153 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1C ZINC000280637624 1435694666 /nfs/dbraw/zinc/69/46/66/1435694666.db2.gz IPAGZPNZBZOTOY-UHFFFAOYSA-N 0 1 397.479 3.354 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)NCCN2CCc3ccccc3C2)c1C ZINC000280640032 1435695302 /nfs/dbraw/zinc/69/53/02/1435695302.db2.gz IXUPBBMRKZZRHG-UHFFFAOYSA-N 0 1 382.464 3.353 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2cccc(N3CCC3=O)c2)N2CCCC2)o1 ZINC000280654611 1435698381 /nfs/dbraw/zinc/69/83/81/1435698381.db2.gz NZGXHEXVCPQMRH-SFHVURJKSA-N 0 1 382.464 3.283 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(-c4nc[nH]n4)c3)c12 ZINC000280676760 1435702247 /nfs/dbraw/zinc/70/22/47/1435702247.db2.gz ADONNTRJSQWZLP-UHFFFAOYSA-N 0 1 391.410 3.331 20 0 GGADMN COc1ccc(C[NH+]2CCC(CNC(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000280691456 1435704289 /nfs/dbraw/zinc/70/42/89/1435704289.db2.gz DLBUVGWQLZVEED-UHFFFAOYSA-N 0 1 390.430 3.321 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000280693456 1435704819 /nfs/dbraw/zinc/70/48/19/1435704819.db2.gz DQLPBJXUUUPPPA-UHFFFAOYSA-N 0 1 398.413 3.462 20 0 GGADMN Cc1cc[nH]c1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000280710249 1435707505 /nfs/dbraw/zinc/70/75/05/1435707505.db2.gz UBUJBOWBCJQDNY-UHFFFAOYSA-N 0 1 389.503 3.335 20 0 GGADMN CCn1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c(C(F)(F)F)n1 ZINC000280717658 1435709044 /nfs/dbraw/zinc/70/90/44/1435709044.db2.gz IMCZWEWBCHFMQS-AWEZNQCLSA-N 0 1 384.402 3.390 20 0 GGADMN Cc1cc[nH]c1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000280722904 1435709565 /nfs/dbraw/zinc/70/95/65/1435709565.db2.gz VCLCIMGCPMLIRE-UHFFFAOYSA-N 0 1 396.451 3.385 20 0 GGADMN Cc1cc[nH]c1C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000280722904 1435709573 /nfs/dbraw/zinc/70/95/73/1435709573.db2.gz VCLCIMGCPMLIRE-UHFFFAOYSA-N 0 1 396.451 3.385 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000280732484 1435711570 /nfs/dbraw/zinc/71/15/70/1435711570.db2.gz KPMIWTDDQMJPKJ-UHFFFAOYSA-N 0 1 394.519 3.011 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2conc2C2CC2)CC1 ZINC000280772097 1435717122 /nfs/dbraw/zinc/71/71/22/1435717122.db2.gz MPKCCNSVSIVEDO-AWEZNQCLSA-N 0 1 386.471 3.324 20 0 GGADMN O=C(Cc1ncccc1F)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000280777049 1435718583 /nfs/dbraw/zinc/71/85/83/1435718583.db2.gz JXQWXOMRHPPSNB-UHFFFAOYSA-N 0 1 384.455 3.216 20 0 GGADMN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000280783829 1435719805 /nfs/dbraw/zinc/71/98/05/1435719805.db2.gz BKQXOJNDUBUYQM-MRVPVSSYSA-N 0 1 395.250 3.346 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)Nc2ccccc2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280788713 1435720722 /nfs/dbraw/zinc/72/07/22/1435720722.db2.gz JGYTUWPTONWRBD-DYESRHJHSA-N 0 1 388.533 3.396 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)Nc2ccccc2F)[C@H](C)S(C)(=O)=O)cc1 ZINC000280822661 1435726749 /nfs/dbraw/zinc/72/67/49/1435726749.db2.gz NQCXEYKELMAFQA-YWZLYKJASA-N 0 1 392.496 3.227 20 0 GGADMN CC(=O)N1CCC[C@H](CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000280823067 1435726757 /nfs/dbraw/zinc/72/67/57/1435726757.db2.gz RNYPWANRIPSDFS-JOCHJYFZSA-N 0 1 393.531 3.307 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2c(F)ccc([O-])c2F)[NH+]2CCCC2)cc1 ZINC000280832272 1435727848 /nfs/dbraw/zinc/72/78/48/1435727848.db2.gz UJWFTYNPFBRNGW-MRXNPFEDSA-N 0 1 376.403 3.246 20 0 GGADMN C[C@@H](NC(=O)c1c(F)ccc(O)c1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000280834763 1435728320 /nfs/dbraw/zinc/72/83/20/1435728320.db2.gz UDBWSIAGBYBLCO-GFCCVEGCSA-N 0 1 393.409 3.052 20 0 GGADMN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCN(C2CCCC2)CC1 ZINC000280837422 1435728821 /nfs/dbraw/zinc/72/88/21/1435728821.db2.gz UNICMOCPHMBFLF-UHFFFAOYSA-N 0 1 376.407 3.375 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)cc2=O)cc1 ZINC000280856040 1435731601 /nfs/dbraw/zinc/73/16/01/1435731601.db2.gz CHMXHJQENAKSNT-IBGZPJMESA-N 0 1 382.508 3.001 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC1CCN(c2nccs2)CC1)c1ccco1 ZINC000280911698 1435740649 /nfs/dbraw/zinc/74/06/49/1435740649.db2.gz CLBSDCLNDFESEV-INIZCTEOSA-N 0 1 391.541 3.087 20 0 GGADMN Cc1ccc([C@H](NCCc2nc3ccccc3n2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280924820 1435742699 /nfs/dbraw/zinc/74/26/99/1435742699.db2.gz UNAZLPDIHRXVGR-IIBYNOLFSA-N 0 1 385.533 3.188 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@](C)(O)CC1)N1CCCCC1 ZINC000280925688 1435742713 /nfs/dbraw/zinc/74/27/13/1435742713.db2.gz VNKNFKCQSRVGHZ-UGKGYDQZSA-N 0 1 389.540 3.169 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1cccs1 ZINC000280949551 1435746365 /nfs/dbraw/zinc/74/63/65/1435746365.db2.gz HSTXXFJULPIRRJ-OAHLLOKOSA-N 0 1 392.456 3.268 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)N(C)c2ccccc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280951665 1435746651 /nfs/dbraw/zinc/74/66/51/1435746651.db2.gz XNNJEUOKGWZYAK-UWJYYQICSA-N 0 1 388.533 3.112 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)N(C)c2ccccc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280951657 1435746664 /nfs/dbraw/zinc/74/66/64/1435746664.db2.gz XNNJEUOKGWZYAK-LAUBAEHRSA-N 0 1 388.533 3.112 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)Nc2cccc(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280951807 1435746784 /nfs/dbraw/zinc/74/67/84/1435746784.db2.gz XQAVPCOHFVNXHA-MGPUTAFESA-N 0 1 392.496 3.227 20 0 GGADMN COc1ccc(-c2nc3c(s2)[C@@H](NCC(=O)NCC(F)F)CCC3)cc1 ZINC000280954515 1435747316 /nfs/dbraw/zinc/74/73/16/1435747316.db2.gz UHVNTXCQULHWAM-ZDUSSCGKSA-N 0 1 381.448 3.167 20 0 GGADMN CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000280959494 1435747990 /nfs/dbraw/zinc/74/79/90/1435747990.db2.gz NDFYDQHUXCVZAF-UHFFFAOYSA-N 0 1 391.418 3.073 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000280992742 1435753091 /nfs/dbraw/zinc/75/30/91/1435753091.db2.gz ORZDCYKKPFGXAB-UHFFFAOYSA-N 0 1 395.463 3.155 20 0 GGADMN Clc1ccc(CNCc2ccnc(OC3CCOCC3)c2)c(-n2cncn2)c1 ZINC000281000246 1435753742 /nfs/dbraw/zinc/75/37/42/1435753742.db2.gz VYCCRFLESVGZNI-UHFFFAOYSA-N 0 1 399.882 3.163 20 0 GGADMN Fc1ccc(-n2nccc2CNCc2cc(F)ccc2N2CCOCC2)cc1 ZINC000281013650 1435756518 /nfs/dbraw/zinc/75/65/18/1435756518.db2.gz WZNBGFNDPJKKDR-UHFFFAOYSA-N 0 1 384.430 3.277 20 0 GGADMN CC(C)OCCOC[C@H](O)CN(C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000281035751 1435760460 /nfs/dbraw/zinc/76/04/60/1435760460.db2.gz QTFVILMXYHZCCX-OAQYLSRUSA-N 0 1 387.524 3.084 20 0 GGADMN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc([O-])c(Cl)cc34)C2)n1 ZINC000281054451 1435764177 /nfs/dbraw/zinc/76/41/77/1435764177.db2.gz RDNGIPSPIGYMFL-NSHDSACASA-N 0 1 375.812 3.223 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3conc3C3CC3)CC2)c1C ZINC000281056398 1435765062 /nfs/dbraw/zinc/76/50/62/1435765062.db2.gz YERGCMXKANVQLW-UHFFFAOYSA-N 0 1 398.507 3.309 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000281056536 1435765132 /nfs/dbraw/zinc/76/51/32/1435765132.db2.gz BHYYPMVLCUVUKD-UHFFFAOYSA-N 0 1 381.358 3.139 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000281071255 1435768346 /nfs/dbraw/zinc/76/83/46/1435768346.db2.gz OFJCEHPOMPRGEU-FUHWJXTLSA-N 0 1 386.883 3.178 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)n[nH]1 ZINC000281074565 1435768723 /nfs/dbraw/zinc/76/87/23/1435768723.db2.gz QPROMMABLWUICX-MNOVXSKESA-N 0 1 390.419 3.297 20 0 GGADMN Cc1ccc(-c2ccc(C)c(NC(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)c2)o1 ZINC000281076030 1435769031 /nfs/dbraw/zinc/76/90/31/1435769031.db2.gz REQGXYWASXMLPH-INIZCTEOSA-N 0 1 381.476 3.269 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000281086364 1435771578 /nfs/dbraw/zinc/77/15/78/1435771578.db2.gz UYEUZKXCBOSPGW-WKULXVSPSA-N 0 1 379.570 3.322 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(C(N)=S)cc1 ZINC000281089273 1435771983 /nfs/dbraw/zinc/77/19/83/1435771983.db2.gz GRIBJPMMDUSDSW-UHFFFAOYSA-N 0 1 385.558 3.430 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccnn1-c1ccccc1 ZINC000281099844 1435773803 /nfs/dbraw/zinc/77/38/03/1435773803.db2.gz BJAWCOZZOJHYSN-GOSISDBHSA-N 0 1 390.487 3.196 20 0 GGADMN C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccnn1-c1ccccc1 ZINC000281099846 1435774201 /nfs/dbraw/zinc/77/42/01/1435774201.db2.gz BJAWCOZZOJHYSN-SFHVURJKSA-N 0 1 390.487 3.196 20 0 GGADMN Cn1ncc2c1C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc3nc[nH]c3c1)CC2 ZINC000281101638 1435774851 /nfs/dbraw/zinc/77/48/51/1435774851.db2.gz BKWUHELANRKVAS-HTAPYJJXSA-N 0 1 385.471 3.307 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N(CCCO)Cc1ccccn1 ZINC000281106470 1435775255 /nfs/dbraw/zinc/77/52/55/1435775255.db2.gz SPVOSNMVWXHTFX-UHFFFAOYSA-N 0 1 375.379 3.312 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000281126281 1435780074 /nfs/dbraw/zinc/78/00/74/1435780074.db2.gz URTJITABKFPCLH-DOMZBBRYSA-N 0 1 389.362 3.253 20 0 GGADMN Fc1cncc([C@H](NCc2ccccc2OCCN2CCOCC2)C2CC2)c1 ZINC000281134322 1435781259 /nfs/dbraw/zinc/78/12/59/1435781259.db2.gz FJGYQYDMYQKBOB-JOCHJYFZSA-N 0 1 385.483 3.173 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281178137 1435790594 /nfs/dbraw/zinc/79/05/94/1435790594.db2.gz ASFNLPSDTFPIHN-SUMDDJOVSA-N 0 1 379.460 3.111 20 0 GGADMN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000281186500 1435792339 /nfs/dbraw/zinc/79/23/39/1435792339.db2.gz QXTHJPVBVZJIHR-GDBMZVCRSA-N 0 1 385.501 3.001 20 0 GGADMN C[C@H](N[C@H](c1cncc(F)c1)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000281192477 1435793139 /nfs/dbraw/zinc/79/31/39/1435793139.db2.gz JSEKEJSTXUYBAY-DJJJIMSYSA-N 0 1 377.485 3.273 20 0 GGADMN Cc1ncc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(C2CC2)n1 ZINC000281214536 1435797504 /nfs/dbraw/zinc/79/75/04/1435797504.db2.gz LDMADEYIBVLTLK-HZPDHXFCSA-N 0 1 394.519 3.202 20 0 GGADMN COc1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1OC(F)F ZINC000281213676 1435797788 /nfs/dbraw/zinc/79/77/88/1435797788.db2.gz JYDUXEWYKGXGFH-UHFFFAOYSA-N 0 1 396.356 3.187 20 0 GGADMN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000281218013 1435798563 /nfs/dbraw/zinc/79/85/63/1435798563.db2.gz DYJHBAWNGXENED-GOSISDBHSA-N 0 1 388.899 3.416 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000281224213 1435798786 /nfs/dbraw/zinc/79/87/86/1435798786.db2.gz BWRTZYGZPZKPMP-UMPQAUOISA-N 0 1 387.505 3.026 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281241509 1435800325 /nfs/dbraw/zinc/80/03/25/1435800325.db2.gz NGKZSVKIUHDZFN-FQEVSTJZSA-N 0 1 391.512 3.491 20 0 GGADMN Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281244155 1435800562 /nfs/dbraw/zinc/80/05/62/1435800562.db2.gz LYENOYKZMHXHIL-UHFFFAOYSA-N 0 1 380.414 3.276 20 0 GGADMN COC[C@H](C)Nc1ccccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000281245231 1435800590 /nfs/dbraw/zinc/80/05/90/1435800590.db2.gz FRALXTOLZIAIQV-LBPRGKRZSA-N 0 1 382.468 3.126 20 0 GGADMN CCOCc1cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1OC ZINC000281253159 1435800923 /nfs/dbraw/zinc/80/09/23/1435800923.db2.gz MRZHHXULWUNVOL-UHFFFAOYSA-N 0 1 388.430 3.122 20 0 GGADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281263305 1435801464 /nfs/dbraw/zinc/80/14/64/1435801464.db2.gz VMJCFHHWVZLKAL-HZPDHXFCSA-N 0 1 376.460 3.119 20 0 GGADMN CS(=O)(=O)C1(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCC1 ZINC000281281134 1435802115 /nfs/dbraw/zinc/80/21/15/1435802115.db2.gz RYWWDHNYMOLHBA-UHFFFAOYSA-N 0 1 396.472 3.045 20 0 GGADMN CS(=O)(=O)C1(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CCC1 ZINC000281281134 1435802116 /nfs/dbraw/zinc/80/21/16/1435802116.db2.gz RYWWDHNYMOLHBA-UHFFFAOYSA-N 0 1 396.472 3.045 20 0 GGADMN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000281287866 1435802477 /nfs/dbraw/zinc/80/24/77/1435802477.db2.gz WMQCLPVENYFKBH-QLJPJBMISA-N 0 1 391.821 3.144 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CC[C@@](C)(C(=O)NC)C1 ZINC000281294227 1435802739 /nfs/dbraw/zinc/80/27/39/1435802739.db2.gz WVAAOAVRLUZOOB-NFBKMPQASA-N 0 1 395.503 3.223 20 0 GGADMN COC1(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCC(C)CC1 ZINC000281301767 1435802957 /nfs/dbraw/zinc/80/29/57/1435802957.db2.gz VBPBQEWQVVFEDZ-UHFFFAOYSA-N 0 1 394.422 3.151 20 0 GGADMN O=C([N-]CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1)C(F)(F)F ZINC000281302063 1435803056 /nfs/dbraw/zinc/80/30/56/1435803056.db2.gz PVUWQHJNMFYJLS-UHFFFAOYSA-N 0 1 384.377 3.106 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281320832 1435803789 /nfs/dbraw/zinc/80/37/89/1435803789.db2.gz PENYDHQHMYGRQL-HXUWFJFHSA-N 0 1 391.581 3.306 20 0 GGADMN CCOc1ccc([C@@H]2C[C@H]2NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000281333470 1435804295 /nfs/dbraw/zinc/80/42/95/1435804295.db2.gz CRVHFOZCGHYAOF-FCHUYYIVSA-N 0 1 394.519 3.300 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cncc(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000281342244 1435804637 /nfs/dbraw/zinc/80/46/37/1435804637.db2.gz CYKYKUHSJDEOKE-FQEVSTJZSA-N 0 1 398.482 3.062 20 0 GGADMN CCn1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(C(F)(F)F)n1 ZINC000281342133 1435804655 /nfs/dbraw/zinc/80/46/55/1435804655.db2.gz QURDVIBIPQHNGS-ZDUSSCGKSA-N 0 1 395.429 3.272 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281366514 1435805933 /nfs/dbraw/zinc/80/59/33/1435805933.db2.gz WITJSUJTMZKYOU-QFIPXVFZSA-N 0 1 382.483 3.130 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@H](C)c1ccc(SC)cc1 ZINC000281378327 1435806334 /nfs/dbraw/zinc/80/63/34/1435806334.db2.gz MDFGIGKGATWBHR-OAHLLOKOSA-N 0 1 385.533 3.376 20 0 GGADMN CSc1ccc([C@H](C)NCC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000281395279 1435807176 /nfs/dbraw/zinc/80/71/76/1435807176.db2.gz QCKAGTCAFCSGQV-ZDUSSCGKSA-N 0 1 389.546 3.275 20 0 GGADMN CSCCCN(C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000281402538 1435807444 /nfs/dbraw/zinc/80/74/44/1435807444.db2.gz NPSYQPAHJBZSTC-UHFFFAOYSA-N 0 1 376.522 3.298 20 0 GGADMN COc1ccccc1-n1nccc1CNCc1ccc(CN2CCCC2=O)cc1 ZINC000281409417 1435807780 /nfs/dbraw/zinc/80/77/80/1435807780.db2.gz IECYJVQSFYGXRV-UHFFFAOYSA-N 0 1 390.487 3.293 20 0 GGADMN O=C(Nc1ccc(F)c(F)c1F)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281463639 1435810026 /nfs/dbraw/zinc/81/00/26/1435810026.db2.gz UCIKZUSLLSTEJR-UHFFFAOYSA-N 0 1 383.292 3.026 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000281501354 1435811431 /nfs/dbraw/zinc/81/14/31/1435811431.db2.gz AUOCYUMBAQKMOP-INIZCTEOSA-N 0 1 399.564 3.116 20 0 GGADMN FCCn1ncnc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000281532963 1435812494 /nfs/dbraw/zinc/81/24/94/1435812494.db2.gz AJQKLGUCLULBAD-UHFFFAOYSA-N 0 1 377.467 3.135 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)cc1 ZINC000281579386 1435814300 /nfs/dbraw/zinc/81/43/00/1435814300.db2.gz LZHYCGLIWVHIHE-GFCCVEGCSA-N 0 1 395.488 3.089 20 0 GGADMN CO[C@@H]1CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000281614665 1435815651 /nfs/dbraw/zinc/81/56/51/1435815651.db2.gz HBGSXBWSAONWAV-OEMYIYORSA-N 0 1 389.540 3.005 20 0 GGADMN Cc1ncc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c(C2CC2)n1 ZINC000281612419 1435815711 /nfs/dbraw/zinc/81/57/11/1435815711.db2.gz NAHNGZBNAVGDFK-UHFFFAOYSA-N 0 1 388.475 3.467 20 0 GGADMN OC[C@@]1(NCc2ccc(OCc3ccncc3)cc2)CCOc2ccccc21 ZINC000281633923 1435816441 /nfs/dbraw/zinc/81/64/41/1435816441.db2.gz IMAYQMVXANWMDJ-QHCPKHFHSA-N 0 1 376.456 3.421 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000281634509 1435816477 /nfs/dbraw/zinc/81/64/77/1435816477.db2.gz OOIQBTMZBVQSMH-SOLBZPMBSA-N 0 1 378.488 3.435 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)C(=O)N1CCCC1 ZINC000281634495 1435816495 /nfs/dbraw/zinc/81/64/95/1435816495.db2.gz OOIQBTMZBVQSMH-BQFCYCMXSA-N 0 1 378.488 3.435 20 0 GGADMN CC(C)(C)Nc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000281639086 1435816738 /nfs/dbraw/zinc/81/67/38/1435816738.db2.gz HATOOVPMYCODHK-GOSISDBHSA-N 0 1 394.519 3.226 20 0 GGADMN C[C@H](OC[C@@H](O)CN[C@@]1(CO)CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000281659584 1435817351 /nfs/dbraw/zinc/81/73/51/1435817351.db2.gz KPQUZDUBKLGEIY-UQASEVPWSA-N 0 1 391.895 3.038 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cc(C2CC2)cnc1Cl ZINC000281700327 1435818780 /nfs/dbraw/zinc/81/87/80/1435818780.db2.gz VZCMHXPKUWBYKU-UHFFFAOYSA-N 0 1 383.839 3.240 20 0 GGADMN OC[C@]1(NCc2ccc(OCc3cccnc3)cc2)CCOc2ccccc21 ZINC000281720489 1435819437 /nfs/dbraw/zinc/81/94/37/1435819437.db2.gz PFDQWHLQOLBXQD-HSZRJFAPSA-N 0 1 376.456 3.421 20 0 GGADMN OC[C@@]1(NCc2ccc(OCc3cccnc3)cc2)CCOc2ccccc21 ZINC000281720495 1435819516 /nfs/dbraw/zinc/81/95/16/1435819516.db2.gz PFDQWHLQOLBXQD-QHCPKHFHSA-N 0 1 376.456 3.421 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000281765902 1435821251 /nfs/dbraw/zinc/82/12/51/1435821251.db2.gz FWXUSGPPPHMNJQ-KRWDZBQOSA-N 0 1 384.549 3.021 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000281765907 1435821323 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C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000281859085 1435824548 /nfs/dbraw/zinc/82/45/48/1435824548.db2.gz LSMYGMIYBSCCOE-DYESRHJHSA-N 0 1 396.539 3.277 20 0 GGADMN C[N@H+]1CCN(CCNC(=O)c2cnc3ccccc3c2C(F)(F)F)CC1(C)C ZINC000281861208 1435824568 /nfs/dbraw/zinc/82/45/68/1435824568.db2.gz VKJJBMLYDFJFSK-UHFFFAOYSA-N 0 1 394.441 3.009 20 0 GGADMN COCCn1cc(CNCc2cccc(NC(=O)c3ccc(OC)cc3)c2)cn1 ZINC000281862208 1435824656 /nfs/dbraw/zinc/82/46/56/1435824656.db2.gz CACKNPWSHOVURG-UHFFFAOYSA-N 0 1 394.475 3.080 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](OC)C[C@@H]1C)N1CCCCC1 ZINC000281861828 1435824710 /nfs/dbraw/zinc/82/47/10/1435824710.db2.gz OFTSKKZOQYDUAW-NSHGMRRFSA-N 0 1 389.540 3.431 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)N(C)CC(F)(F)F ZINC000281879177 1435825269 /nfs/dbraw/zinc/82/52/69/1435825269.db2.gz ORQSDOJUKIJLSP-UWVGGRQHSA-N 0 1 386.340 3.017 20 0 GGADMN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281881668 1435825325 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CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)n[nH]1 ZINC000281974660 1435829268 /nfs/dbraw/zinc/82/92/68/1435829268.db2.gz MBSPDAOZJWKNNJ-CABZTGNLSA-N 0 1 377.876 3.404 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)n[nH]1 ZINC000281974666 1435829313 /nfs/dbraw/zinc/82/93/13/1435829313.db2.gz MBSPDAOZJWKNNJ-SKDRFNHKSA-N 0 1 377.876 3.404 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1 ZINC000282021169 1435831361 /nfs/dbraw/zinc/83/13/61/1435831361.db2.gz JKFCTEXLZNFTQZ-CHWSQXEVSA-N 0 1 389.456 3.143 20 0 GGADMN CC[C@@](O)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000282036664 1435831877 /nfs/dbraw/zinc/83/18/77/1435831877.db2.gz LFXJALBFWNHFEH-NRFANRHFSA-N 0 1 387.911 3.113 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 ZINC000282052643 1435832691 /nfs/dbraw/zinc/83/26/91/1435832691.db2.gz LUIHQFWAJBMRDZ-UHFFFAOYSA-N 0 1 384.446 3.370 20 0 GGADMN O=C(NC[C@@H]1CCCC(F)(F)C1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000282053343 1435832793 /nfs/dbraw/zinc/83/27/93/1435832793.db2.gz GSURISKZJQQTPA-SECBINFHSA-N 0 1 386.349 3.381 20 0 GGADMN CCSCCCNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000282085498 1435834011 /nfs/dbraw/zinc/83/40/11/1435834011.db2.gz IZZBVTWJOKMXDM-OAHLLOKOSA-N 0 1 377.554 3.245 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000282164683 1435837054 /nfs/dbraw/zinc/83/70/54/1435837054.db2.gz LWZLEPKJLVXGCZ-UHFFFAOYSA-N 0 1 385.468 3.207 20 0 GGADMN COCCOc1cncc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000282168766 1435837149 /nfs/dbraw/zinc/83/71/49/1435837149.db2.gz HVIBRYKYSCOLHS-GOSISDBHSA-N 0 1 382.420 3.087 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000282190415 1435837868 /nfs/dbraw/zinc/83/78/68/1435837868.db2.gz BYFXVXIDSYIRLB-QXAKKESOSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000282190415 1435837869 /nfs/dbraw/zinc/83/78/69/1435837869.db2.gz BYFXVXIDSYIRLB-QXAKKESOSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)[C@H](C)C1 ZINC000282207203 1435838472 /nfs/dbraw/zinc/83/84/72/1435838472.db2.gz HFNXBQWJGZOXHQ-AEFFLSMTSA-N 0 1 382.932 3.050 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)[C@H](C)C1 ZINC000282212522 1435838708 /nfs/dbraw/zinc/83/87/08/1435838708.db2.gz DLRPXEUZERKIFV-RADWXHQJSA-N 0 1 390.524 3.161 20 0 GGADMN Cn1ncc2c1C[C@@H](C(=O)N1CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C1)CC2 ZINC000282259528 1435840481 /nfs/dbraw/zinc/84/04/81/1435840481.db2.gz JAJCNGJOAJSVQY-FUHWJXTLSA-N 0 1 396.539 3.097 20 0 GGADMN CC(C)(C)n1ncnc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000282291652 1435841919 /nfs/dbraw/zinc/84/19/19/1435841919.db2.gz KTPJHYFVDYFWSZ-UHFFFAOYSA-N 0 1 398.435 3.364 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2ccc(OCc3cccnc3)cc2)O1 ZINC000282346251 1435843908 /nfs/dbraw/zinc/84/39/08/1435843908.db2.gz CHAZFGDYBHQXTO-ZJQURUERSA-N 0 1 396.487 3.344 20 0 GGADMN COc1ccc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)nn1 ZINC000282376528 1435845048 /nfs/dbraw/zinc/84/50/48/1435845048.db2.gz CNWXPQFJEGIFFH-UHFFFAOYSA-N 0 1 376.501 3.098 20 0 GGADMN CN1CCN(CCOc2ccc(N[C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000282441382 1435847386 /nfs/dbraw/zinc/84/73/86/1435847386.db2.gz UMQZMDWTYRRVIB-LJQANCHMSA-N 0 1 390.531 3.373 20 0 GGADMN Cn1c(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)nc2ccccc2c1=O ZINC000282483080 1435848814 /nfs/dbraw/zinc/84/88/14/1435848814.db2.gz HFZYJNXJOHCGDW-OAQYLSRUSA-N 0 1 383.879 3.078 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(OCc3ccccn3)cc2)O1 ZINC000282498583 1435849335 /nfs/dbraw/zinc/84/93/35/1435849335.db2.gz QOSGINBBRVELCI-XXMUNEJQSA-N 0 1 396.487 3.344 20 0 GGADMN CSc1ccccc1NC(=O)CCN(CCNC(C)=O)Cc1ccsc1 ZINC000282505926 1435849544 /nfs/dbraw/zinc/84/95/44/1435849544.db2.gz OANWRCMVXNJOGJ-UHFFFAOYSA-N 0 1 391.562 3.437 20 0 GGADMN O=C(Nc1ccc(Oc2ccccn2)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282507656 1435849621 /nfs/dbraw/zinc/84/96/21/1435849621.db2.gz PEFOGRHYZMDGHW-GOSISDBHSA-N 0 1 396.491 3.450 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](NCc2nnc(-c3ccco3)o2)C(C)(C)C1 ZINC000282518762 1435849849 /nfs/dbraw/zinc/84/98/49/1435849849.db2.gz PJIGEUCUMWWIFK-CQSZACIVSA-N 0 1 376.457 3.455 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000282529710 1435850348 /nfs/dbraw/zinc/85/03/48/1435850348.db2.gz WBWMJFBNRGQYAN-HOCLYGCPSA-N 0 1 391.516 3.124 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cnn(-c3ccccc3OC)c2C)n[nH]1 ZINC000282530638 1435850434 /nfs/dbraw/zinc/85/04/34/1435850434.db2.gz YUDGWNWNZGWYMD-OLZOCXBDSA-N 0 1 382.468 3.312 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1F ZINC000282556620 1435851489 /nfs/dbraw/zinc/85/14/89/1435851489.db2.gz TVVRGIWEUVQSLD-UHFFFAOYSA-N 0 1 394.353 3.364 20 0 GGADMN O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC000282565786 1435851785 /nfs/dbraw/zinc/85/17/85/1435851785.db2.gz URLWIDXNUJWZRU-IEBWSBKVSA-N 0 1 383.467 3.226 20 0 GGADMN CC[C@]1(C)Oc2ccc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)cc2O1 ZINC000282602232 1435853309 /nfs/dbraw/zinc/85/33/09/1435853309.db2.gz CZOPBXGVVNKWAF-IIBYNOLFSA-N 0 1 389.496 3.160 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(N2CCCC2=O)cc1 ZINC000282603466 1435853315 /nfs/dbraw/zinc/85/33/15/1435853315.db2.gz HXPMEWMDCRZTBF-UHFFFAOYSA-N 0 1 375.476 3.301 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1cccc(C(=O)NC2CC2)c1 ZINC000282615732 1435853769 /nfs/dbraw/zinc/85/37/69/1435853769.db2.gz JARDSDLVVQMFDQ-UHFFFAOYSA-N 0 1 375.476 3.066 20 0 GGADMN CN(c1ccccc1)c1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 ZINC000282615277 1435853787 /nfs/dbraw/zinc/85/37/87/1435853787.db2.gz CJORADHZLPYXTO-LJQANCHMSA-N 0 1 394.519 3.034 20 0 GGADMN COCCCn1nccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000282660716 1435855470 /nfs/dbraw/zinc/85/54/70/1435855470.db2.gz MVDZHOHEBZSJKC-UHFFFAOYSA-N 0 1 393.413 3.414 20 0 GGADMN CON(CC1CCOCC1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000282671649 1435855990 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GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000282860451 1435863374 /nfs/dbraw/zinc/86/33/74/1435863374.db2.gz COYPKKHUYOKTTO-SFTDATJTSA-N 0 1 384.524 3.169 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cnc(C3OCCO3)s2)[nH]1 ZINC000282877006 1435864196 /nfs/dbraw/zinc/86/41/96/1435864196.db2.gz AZBOSDAILZLRBQ-UHFFFAOYSA-N 0 1 385.449 3.349 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000282878563 1435864285 /nfs/dbraw/zinc/86/42/85/1435864285.db2.gz WMIHGCISHFKXCB-UHFFFAOYSA-N 0 1 395.532 3.340 20 0 GGADMN COC(=O)Cc1occc1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000282879319 1435864323 /nfs/dbraw/zinc/86/43/23/1435864323.db2.gz CPTBKPHDCZKWIU-UHFFFAOYSA-N 0 1 388.489 3.105 20 0 GGADMN COCCN(C)c1ccc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000282880843 1435864452 /nfs/dbraw/zinc/86/44/52/1435864452.db2.gz RYELYSSQUAACBV-LJQANCHMSA-N 0 1 376.932 3.210 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000282888819 1435864798 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CSc1ccccc1[C@H](C)NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000283075367 1435873245 /nfs/dbraw/zinc/87/32/45/1435873245.db2.gz UBRGKDOOURZYDP-FUHWJXTLSA-N 0 1 378.586 3.041 20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC000283107681 1435874989 /nfs/dbraw/zinc/87/49/89/1435874989.db2.gz SFLXWONCKXTLDQ-JHVJFLLYSA-N 0 1 398.507 3.191 20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000283107682 1435875013 /nfs/dbraw/zinc/87/50/13/1435875013.db2.gz SFLXWONCKXTLDQ-LPTQZCDUSA-N 0 1 398.507 3.191 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000283110153 1435875090 /nfs/dbraw/zinc/87/50/90/1435875090.db2.gz VNGHYMABYDHVLY-KSSFIOAISA-N 0 1 382.468 3.123 20 0 GGADMN COc1ccccc1-c1nnc(N2CCN(C(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC000283140447 1435876399 /nfs/dbraw/zinc/87/63/99/1435876399.db2.gz UOPUOFFZZHXERC-SFHVURJKSA-N 0 1 399.539 3.053 20 0 GGADMN COc1cccc([C@@H](C)N2CCN(c3nnc(C)n3C[C@@H]3CCCCO3)CC2)c1 ZINC000283148907 1435876782 /nfs/dbraw/zinc/87/67/82/1435876782.db2.gz VAICNZRRSWPDTD-UTKZUKDTSA-N 0 1 399.539 3.047 20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000283151307 1435876864 /nfs/dbraw/zinc/87/68/64/1435876864.db2.gz SSQUTQJVURCNON-PKOBYXMFSA-N 0 1 382.464 3.025 20 0 GGADMN CN(C)c1nc2ccc(NC(=O)C3CCC(NC(=O)C(C)(C)C)CC3)cc2[nH]1 ZINC000283156000 1435877174 /nfs/dbraw/zinc/87/71/74/1435877174.db2.gz ZBIWBJZKEZYIQX-UHFFFAOYSA-N 0 1 385.512 3.289 20 0 GGADMN CCOC(=O)[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000283186374 1435878364 /nfs/dbraw/zinc/87/83/64/1435878364.db2.gz KGMWUOLZNXCRNU-UXHICEINSA-N 0 1 387.501 3.232 20 0 GGADMN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000283193282 1435878741 /nfs/dbraw/zinc/87/87/41/1435878741.db2.gz MAHFBSHNQKDYDT-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C)c1cc2ccccc2o1 ZINC000283200444 1435879110 /nfs/dbraw/zinc/87/91/10/1435879110.db2.gz AZJOHPUXPJQLHL-DZGCQCFKSA-N 0 1 385.489 3.091 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1nnc(C(C)C)s1 ZINC000283256891 1435881602 /nfs/dbraw/zinc/88/16/02/1435881602.db2.gz CYHSVNVUHBLRMM-UHFFFAOYSA-N 0 1 389.525 3.064 20 0 GGADMN CN1CC[C@H](CNC(=O)C(=O)NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283259548 1435881895 /nfs/dbraw/zinc/88/18/95/1435881895.db2.gz MOCFACBUECLXHC-RDTXWAMCSA-N 0 1 395.906 3.037 20 0 GGADMN O=C(Nc1ccc(OC(F)F)nc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000283274967 1435882418 /nfs/dbraw/zinc/88/24/18/1435882418.db2.gz VYFUDFPJKPIXJV-NSHDSACASA-N 0 1 378.383 3.090 20 0 GGADMN COCCCN(C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000283286849 1435882902 /nfs/dbraw/zinc/88/29/02/1435882902.db2.gz MLQJZSARWMMSSL-WMLDXEAASA-N 0 1 393.471 3.335 20 0 GGADMN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000283317387 1435884169 /nfs/dbraw/zinc/88/41/69/1435884169.db2.gz FHRMBNFMSZCEAT-DOTOQJQBSA-N 0 1 385.474 3.026 20 0 GGADMN O=Cc1cn(CC(=O)Nc2ccccc2CN2CCC(O)CC2)c2ccccc12 ZINC000283339949 1435885053 /nfs/dbraw/zinc/88/50/53/1435885053.db2.gz HQTACFILQWLOIT-UHFFFAOYSA-N 0 1 391.471 3.049 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3cccc(OCC(=O)N4CCCC4)c3)c2[nH]1 ZINC000283365730 1435886274 /nfs/dbraw/zinc/88/62/74/1435886274.db2.gz DNVZLJPIBAOCSM-UHFFFAOYSA-N 0 1 378.432 3.125 20 0 GGADMN Cc1nc2cccc(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)c2[nH]1 ZINC000283371422 1435886589 /nfs/dbraw/zinc/88/65/89/1435886589.db2.gz FAPJIEYITNGMJT-UHFFFAOYSA-N 0 1 380.423 3.045 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)c2[nH]1 ZINC000283371469 1435886598 /nfs/dbraw/zinc/88/65/98/1435886598.db2.gz FBNQKRBJQWOIIQ-UHFFFAOYSA-N 0 1 377.448 3.213 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000283406665 1435888453 /nfs/dbraw/zinc/88/84/53/1435888453.db2.gz QRLGIYHPDNDZHB-AUUYWEPGSA-N 0 1 395.956 3.202 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc([C@@H](C)O)s1 ZINC000283409202 1435888545 /nfs/dbraw/zinc/88/85/45/1435888545.db2.gz LNMNMVJYLNBNGU-ZBFHGGJFSA-N 0 1 389.521 3.029 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc([C@H](C)O)s1 ZINC000283409152 1435888624 /nfs/dbraw/zinc/88/86/24/1435888624.db2.gz LNMNMVJYLNBNGU-GOEBONIOSA-N 0 1 389.521 3.029 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)C2)n[nH]1 ZINC000283430731 1435889455 /nfs/dbraw/zinc/88/94/55/1435889455.db2.gz VMQYGZGEONVKRT-QRQLOZEOSA-N 0 1 380.492 3.034 20 0 GGADMN COC(=O)c1c(F)cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000283434804 1435889710 /nfs/dbraw/zinc/88/97/10/1435889710.db2.gz JNRFEHQPDBFIPD-HNNXBMFYSA-N 0 1 393.390 3.303 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)n[nH]1 ZINC000283436728 1435889812 /nfs/dbraw/zinc/88/98/12/1435889812.db2.gz JRPYKXFARMHQEK-RKDXNWHRSA-N 0 1 381.383 3.266 20 0 GGADMN CSc1nnc(CCCNC(=O)c2cccc3nc(C)[nH]c32)n1CC(C)C ZINC000283445125 1435890186 /nfs/dbraw/zinc/89/01/86/1435890186.db2.gz KIQGBGXQWCRPNA-UHFFFAOYSA-N 0 1 386.525 3.203 20 0 GGADMN CSc1ccccc1[C@H](C)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000283458809 1435890847 /nfs/dbraw/zinc/89/08/47/1435890847.db2.gz IYVKQQNPBHKUSC-IRXDYDNUSA-N 0 1 377.554 3.223 20 0 GGADMN COc1cc(C=CC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cc(OC)c1OC ZINC000283469069 1435891340 /nfs/dbraw/zinc/89/13/40/1435891340.db2.gz YELKRDRENKIJRZ-WAVCKPEOSA-N 0 1 385.464 3.163 20 0 GGADMN Cc1cccc(CN2CCN(c3nnc(C4CCC4)n3C[C@H]3CCOC3)CC2)c1 ZINC000283506303 1435893046 /nfs/dbraw/zinc/89/30/46/1435893046.db2.gz VOQCXYRWKYDJNY-HXUWFJFHSA-N 0 1 395.551 3.213 20 0 GGADMN Cc1cccc(CN2CCN(c3nnc(C4CCC4)n3C[C@@H]3CCOC3)CC2)c1 ZINC000283506298 1435893082 /nfs/dbraw/zinc/89/30/82/1435893082.db2.gz VOQCXYRWKYDJNY-FQEVSTJZSA-N 0 1 395.551 3.213 20 0 GGADMN COc1cnc2ccccc2c1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000283529127 1435894056 /nfs/dbraw/zinc/89/40/56/1435894056.db2.gz RIFCJOYEIOVVEZ-UHFFFAOYSA-N 0 1 376.460 3.033 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)[nH]1 ZINC000283553296 1435895098 /nfs/dbraw/zinc/89/50/98/1435895098.db2.gz UCZULOIQCRPPMV-HNNXBMFYSA-N 0 1 378.480 3.209 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)[nH]1 ZINC000283560224 1435895517 /nfs/dbraw/zinc/89/55/17/1435895517.db2.gz UVHDOBIUUGQZAZ-UHFFFAOYSA-N 0 1 394.450 3.179 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)[nH]1 ZINC000283580387 1435896456 /nfs/dbraw/zinc/89/64/56/1435896456.db2.gz WJJJSDMLDDFVJB-UHFFFAOYSA-N 0 1 378.432 3.068 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(N)=O ZINC000283603779 1435897445 /nfs/dbraw/zinc/89/74/45/1435897445.db2.gz MTMWHLDMHXWRCZ-SJLPKXTDSA-N 0 1 397.544 3.047 20 0 GGADMN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCC4)CC3)n2C)cc1 ZINC000283636965 1435898944 /nfs/dbraw/zinc/89/89/44/1435898944.db2.gz XEEGGUIBJVUGHX-INIZCTEOSA-N 0 1 385.512 3.028 20 0 GGADMN COc1cnc2ccccc2c1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000283644905 1435899184 /nfs/dbraw/zinc/89/91/84/1435899184.db2.gz CMHZJUJVXNRPHY-UHFFFAOYSA-N 0 1 376.460 3.033 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(N4CCCCCC4)cc3)C2)CC1 ZINC000283681271 1435902963 /nfs/dbraw/zinc/90/29/63/1435902963.db2.gz UHUICMQJIODDEK-JOCHJYFZSA-N 0 1 399.583 3.311 20 0 GGADMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000283690338 1435904584 /nfs/dbraw/zinc/90/45/84/1435904584.db2.gz VLXAURJTFUXGAN-RZUBCFFCSA-N 0 1 394.494 3.371 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cn(C3CC3)c(C)cc2=O)N2CCCC2)cc1 ZINC000283734321 1435912731 /nfs/dbraw/zinc/91/27/31/1435912731.db2.gz OJLBCOILETZGDR-NRFANRHFSA-N 0 1 395.503 3.067 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)CC[N@@H+]1Cc1ccccc1 ZINC000283751992 1435916461 /nfs/dbraw/zinc/91/64/61/1435916461.db2.gz OTAMNBIYOFDNHT-YJBOKZPZSA-N 0 1 395.532 3.143 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)CC[N@H+]1Cc1ccccc1 ZINC000283751992 1435916462 /nfs/dbraw/zinc/91/64/62/1435916462.db2.gz OTAMNBIYOFDNHT-YJBOKZPZSA-N 0 1 395.532 3.143 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@](C)(O)CCc3ccccc3)C1)CCCC2 ZINC000283752885 1435916622 /nfs/dbraw/zinc/91/66/22/1435916622.db2.gz IXTATZILTINBBP-WMZHIEFXSA-N 0 1 381.520 3.228 20 0 GGADMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000283808673 1435927675 /nfs/dbraw/zinc/92/76/75/1435927675.db2.gz IBUDMBMJLRGVAB-UHFFFAOYSA-N 0 1 396.896 3.468 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000283852925 1435936975 /nfs/dbraw/zinc/93/69/75/1435936975.db2.gz BWQCVXGPJAICOQ-FQEVSTJZSA-N 0 1 377.488 3.446 20 0 GGADMN C[C@@H]1CCCCN1Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 ZINC000283858708 1435938576 /nfs/dbraw/zinc/93/85/76/1435938576.db2.gz GORZDZRQGIMBRL-OAHLLOKOSA-N 0 1 378.538 3.355 20 0 GGADMN CN(C(=O)[C@@H]1CCC(=O)c2ccccc21)C1CCN(CCc2ccccn2)CC1 ZINC000283897670 1435947501 /nfs/dbraw/zinc/94/75/01/1435947501.db2.gz KIZOZUUYYFYJTN-JOCHJYFZSA-N 0 1 391.515 3.307 20 0 GGADMN CCOc1cc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc(Cl)c1O ZINC000283919666 1435952769 /nfs/dbraw/zinc/95/27/69/1435952769.db2.gz HBDXMLQISAXSEG-PBHICJAKSA-N 0 1 379.888 3.123 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)[nH]1 ZINC000283929428 1435955736 /nfs/dbraw/zinc/95/57/36/1435955736.db2.gz KJRISNCVLALVLL-UHFFFAOYSA-N 0 1 382.493 3.106 20 0 GGADMN COCc1ncsc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000283951974 1435960622 /nfs/dbraw/zinc/96/06/22/1435960622.db2.gz NIGLUEQFJPCBBD-UHFFFAOYSA-N 0 1 383.477 3.094 20 0 GGADMN CCCN(C(=O)C(=O)Nc1cccc(F)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000283961241 1435962004 /nfs/dbraw/zinc/96/20/04/1435962004.db2.gz AOISDSJDTXELOQ-GOSISDBHSA-N 0 1 398.482 3.062 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000283976868 1435965974 /nfs/dbraw/zinc/96/59/74/1435965974.db2.gz CPRRKOQYBFZUAE-KBPBESRZSA-N 0 1 378.469 3.297 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc4cncn4c3)sc2C1 ZINC000284046091 1435980596 /nfs/dbraw/zinc/98/05/96/1435980596.db2.gz QFFRPUFEKYIYKH-UHFFFAOYSA-N 0 1 399.476 3.336 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2[nH]nc3ccc(Cl)cc32)CC1 ZINC000284085815 1435987801 /nfs/dbraw/zinc/98/78/01/1435987801.db2.gz AOSKRKKUBOWTPV-UHFFFAOYSA-N 0 1 376.888 3.327 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000284144514 1435998607 /nfs/dbraw/zinc/99/86/07/1435998607.db2.gz QHFFZRAJZSDACY-MRXNPFEDSA-N 0 1 376.888 3.281 20 0 GGADMN O=S1(=O)CCC[C@@H](CN(CCc2ccccn2)Cc2ccc(F)cc2)C1 ZINC000284181675 1436002132 /nfs/dbraw/zinc/00/21/32/1436002132.db2.gz RHIHBVFJGFZYAW-SFHVURJKSA-N 0 1 376.497 3.090 20 0 GGADMN COc1ccc([C@H](CN(C)C)NCc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000284184910 1436002496 /nfs/dbraw/zinc/00/24/96/1436002496.db2.gz XWFVTYRJAQHKJT-IBGZPJMESA-N 0 1 388.537 3.060 20 0 GGADMN C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cn[nH]c1 ZINC000284191424 1436002895 /nfs/dbraw/zinc/00/28/95/1436002895.db2.gz RRDGRWLGCRFUMV-MRXNPFEDSA-N 0 1 380.471 3.121 20 0 GGADMN C[C@H]1CCCN(Cc2ccc(NC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2)C1 ZINC000284207288 1436004024 /nfs/dbraw/zinc/00/40/24/1436004024.db2.gz ZOQRTCGNXKQHRD-HNNXBMFYSA-N 0 1 378.538 3.213 20 0 GGADMN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000284214261 1436004554 /nfs/dbraw/zinc/00/45/54/1436004554.db2.gz ANDNEJSPZDFJIG-CYBMUJFWSA-N 0 1 393.850 3.238 20 0 GGADMN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000284214265 1436004563 /nfs/dbraw/zinc/00/45/63/1436004563.db2.gz ANDNEJSPZDFJIG-ZDUSSCGKSA-N 0 1 393.850 3.238 20 0 GGADMN COc1cc2[nH]c(CCCN[C@H](c3nnc[nH]3)c3cccnc3)cc2c(OC)c1 ZINC000284220061 1436004996 /nfs/dbraw/zinc/00/49/96/1436004996.db2.gz TZCGBMYOKSTBSO-FQEVSTJZSA-N 0 1 392.463 3.010 20 0 GGADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)OCC(F)(F)F ZINC000284218611 1436005179 /nfs/dbraw/zinc/00/51/79/1436005179.db2.gz YEFISQVPLUTGAR-CQSZACIVSA-N 0 1 385.386 3.398 20 0 GGADMN Clc1ccc(CN2CCC(N[C@@H](c3nc[nH]n3)c3cccnc3)CC2)cc1 ZINC000284238937 1436006416 /nfs/dbraw/zinc/00/64/16/1436006416.db2.gz UZWFTQWAOXHCLO-LJQANCHMSA-N 0 1 382.899 3.197 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)N1CCCCCC1 ZINC000284255348 1436007410 /nfs/dbraw/zinc/00/74/10/1436007410.db2.gz WOCGGJFATFTIOV-OYHNWAKOSA-N 0 1 398.507 3.115 20 0 GGADMN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000284276030 1436009198 /nfs/dbraw/zinc/00/91/98/1436009198.db2.gz HDWBWNBUTIXDJK-IFXJQAMLSA-N 0 1 394.512 3.191 20 0 GGADMN COc1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(OC)c1O ZINC000284289031 1436010128 /nfs/dbraw/zinc/01/01/28/1436010128.db2.gz UFFJDAMUSWDKGR-UHFFFAOYSA-N 0 1 385.386 3.462 20 0 GGADMN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000284294930 1436010812 /nfs/dbraw/zinc/01/08/12/1436010812.db2.gz IIRLCPFSTAQOSU-MGPUTAFESA-N 0 1 376.522 3.052 20 0 GGADMN COc1ncc([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1Cl ZINC000284335808 1436014222 /nfs/dbraw/zinc/01/42/22/1436014222.db2.gz MNLLZLFNCXVKOZ-CQSZACIVSA-N 0 1 389.883 3.067 20 0 GGADMN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)NCc1cn[nH]c1C ZINC000284367675 1436016330 /nfs/dbraw/zinc/01/63/30/1436016330.db2.gz ZUXCJMCQZMMQMY-GOSISDBHSA-N 0 1 386.496 3.027 20 0 GGADMN COc1ncc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1Cl ZINC000284376753 1436016852 /nfs/dbraw/zinc/01/68/52/1436016852.db2.gz OMQNHAHNILWICJ-ACJLOTCBSA-N 0 1 388.899 3.366 20 0 GGADMN C[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000284385388 1436017429 /nfs/dbraw/zinc/01/74/29/1436017429.db2.gz OTKXLKPUDZQDSG-HNNXBMFYSA-N 0 1 382.508 3.282 20 0 GGADMN COc1ccc([C@@H](CN(C)C)NC(=O)CCC(=O)c2ccc(F)cc2F)cc1 ZINC000284396216 1436018718 /nfs/dbraw/zinc/01/87/18/1436018718.db2.gz PLECRPOGACCZFE-LJQANCHMSA-N 0 1 390.430 3.355 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000284407758 1436019447 /nfs/dbraw/zinc/01/94/47/1436019447.db2.gz BITWIAQAGLTSAG-OCCSQVGLSA-N 0 1 391.859 3.338 20 0 GGADMN COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2c(C)noc2C)CC1 ZINC000284457217 1436022919 /nfs/dbraw/zinc/02/29/19/1436022919.db2.gz NASVYPHVIDGWEC-UHFFFAOYSA-N 0 1 382.464 3.403 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000284466703 1436023859 /nfs/dbraw/zinc/02/38/59/1436023859.db2.gz AZEOFVFXDSUMTF-DOMZBBRYSA-N 0 1 375.379 3.008 20 0 GGADMN Cc1ccc(-c2nc(CN3CCC([C@H]4OCC[C@@H]4C(N)=O)CC3)cs2)cc1 ZINC000284479232 1436024533 /nfs/dbraw/zinc/02/45/33/1436024533.db2.gz GKEHEKVQFAYCKJ-RBUKOAKNSA-N 0 1 385.533 3.221 20 0 GGADMN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000284481121 1436024878 /nfs/dbraw/zinc/02/48/78/1436024878.db2.gz XXPHVWNOMCGMIP-MSOLQXFVSA-N 0 1 398.469 3.455 20 0 GGADMN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000284481132 1436024893 /nfs/dbraw/zinc/02/48/93/1436024893.db2.gz XXPHVWNOMCGMIP-ZWKOTPCHSA-N 0 1 398.469 3.455 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2cnc(-c3ccccc3)s2)CC(=O)N1C1CC1 ZINC000284480414 1436025021 /nfs/dbraw/zinc/02/50/21/1436025021.db2.gz IYABZTBVSNKXFE-YLJYHZDGSA-N 0 1 393.516 3.138 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2cncc(OC3CCCCC3)n2)C1 ZINC000284481900 1436025132 /nfs/dbraw/zinc/02/51/32/1436025132.db2.gz GQLQHTVTMONZSO-CVEARBPZSA-N 0 1 384.484 3.150 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000284506059 1436026643 /nfs/dbraw/zinc/02/66/43/1436026643.db2.gz DOWOJIHTCZBSJM-ABAIWWIYSA-N 0 1 391.447 3.477 20 0 GGADMN O=C(C=Cc1ccc(SC(F)(F)F)cc1)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000284503960 1436026762 /nfs/dbraw/zinc/02/67/62/1436026762.db2.gz VUYACNMYEXOHQI-VUUYWXRKSA-N 0 1 384.383 3.030 20 0 GGADMN Cn1cc(N2CC[C@H](NCc3cnc(-c4ccc(Cl)cc4)s3)C2=O)cn1 ZINC000284509642 1436026904 /nfs/dbraw/zinc/02/69/04/1436026904.db2.gz UADAMNQZCVFLGB-INIZCTEOSA-N 0 1 387.896 3.092 20 0 GGADMN Cn1cc(N2CC[C@@H](NCc3cnc(-c4ccc(Cl)cc4)s3)C2=O)cn1 ZINC000284509644 1436027005 /nfs/dbraw/zinc/02/70/05/1436027005.db2.gz UADAMNQZCVFLGB-MRXNPFEDSA-N 0 1 387.896 3.092 20 0 GGADMN CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1c1nc(C2CC2)no1 ZINC000284541588 1436029153 /nfs/dbraw/zinc/02/91/53/1436029153.db2.gz GBFOBZSSUOZLMA-GFCCVEGCSA-N 0 1 397.262 3.088 20 0 GGADMN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)N1CCN(C2CCC2)CC1 ZINC000284548601 1436029583 /nfs/dbraw/zinc/02/95/83/1436029583.db2.gz XQMDGWCKDNHIEY-UHFFFAOYSA-N 0 1 396.894 3.018 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(C(C)(C)C)on2)CCCN1C1CC1 ZINC000284549179 1436029654 /nfs/dbraw/zinc/02/96/54/1436029654.db2.gz IBVWNGDGWJNGPR-IFXJQAMLSA-N 0 1 385.512 3.051 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cncc(-c3cccc(C)c3)c2)C1 ZINC000284553506 1436029908 /nfs/dbraw/zinc/02/99/08/1436029908.db2.gz IJQACLXMVVPLBJ-MOPGFXCFSA-N 0 1 377.448 3.086 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2csc(Cc3ccc(C)cc3)n2)C1 ZINC000284565244 1436030709 /nfs/dbraw/zinc/03/07/09/1436030709.db2.gz JLIXUNXVCPBCCS-WBVHZDCISA-N 0 1 397.504 3.071 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc3ncsc3c2)CCCN1C1CC1 ZINC000284583375 1436031919 /nfs/dbraw/zinc/03/19/19/1436031919.db2.gz LHSXGILRJTZENF-MGPUTAFESA-N 0 1 395.532 3.375 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)C1 ZINC000284585594 1436032256 /nfs/dbraw/zinc/03/22/56/1436032256.db2.gz LMYKZKFGPMFUKD-VHSSKADRSA-N 0 1 384.480 3.044 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000284587312 1436032291 /nfs/dbraw/zinc/03/22/91/1436032291.db2.gz QACLUOWYWSXVDL-KGLIPLIRSA-N 0 1 393.394 3.277 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000284603180 1436033568 /nfs/dbraw/zinc/03/35/68/1436033568.db2.gz BTZLBEAEIAVINX-VHSSKADRSA-N 0 1 387.484 3.133 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccco1)c1ccsc1 ZINC000284611420 1436034396 /nfs/dbraw/zinc/03/43/96/1436034396.db2.gz QBIQPWWUZSPGMK-HOCLYGCPSA-N 0 1 377.510 3.060 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000284630157 1436035901 /nfs/dbraw/zinc/03/59/01/1436035901.db2.gz BOAQBPYMMGQZLZ-FGTMMUONSA-N 0 1 381.480 3.305 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000284630159 1436036001 /nfs/dbraw/zinc/03/60/01/1436036001.db2.gz BOAQBPYMMGQZLZ-SQNIBIBYSA-N 0 1 381.480 3.305 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000284633976 1436036098 /nfs/dbraw/zinc/03/60/98/1436036098.db2.gz QQHCZDULPNSDGD-BHYNMZESSA-N 0 1 399.278 3.176 20 0 GGADMN COc1cc2c(cc1F)nccc2N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284640614 1436036630 /nfs/dbraw/zinc/03/66/30/1436036630.db2.gz URLMWUCOIVVFKZ-FQEVSTJZSA-N 0 1 385.443 3.043 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)Cc2c[nH]c3ccccc23)CCCN1C1CC1 ZINC000284643791 1436036803 /nfs/dbraw/zinc/03/68/03/1436036803.db2.gz RWXGHIHTRLXUPJ-QMHKHESXSA-N 0 1 391.519 3.176 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cc2c(cc1OC(F)F)OCO2 ZINC000284652414 1436037647 /nfs/dbraw/zinc/03/76/47/1436037647.db2.gz GIZYRSBXMKAHOV-UGSOOPFHSA-N 0 1 395.406 3.414 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1 ZINC000284663111 1436038654 /nfs/dbraw/zinc/03/86/54/1436038654.db2.gz HDDZOKVTDOAGES-RISCZKNCSA-N 0 1 379.848 3.077 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2sc(Cc3ccccc3)nc2C)C1 ZINC000284669536 1436038868 /nfs/dbraw/zinc/03/88/68/1436038868.db2.gz VHCHEVDLKPXQHH-CVEARBPZSA-N 0 1 397.504 3.071 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2coc(-c3ccccc3Cl)n2)C1 ZINC000284672108 1436039010 /nfs/dbraw/zinc/03/90/10/1436039010.db2.gz VQBBHHVGEICLJD-ABAIWWIYSA-N 0 1 387.827 3.024 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284670811 1436039077 /nfs/dbraw/zinc/03/90/77/1436039077.db2.gz GJLGFPHSOGTJMQ-SFHVURJKSA-N 0 1 387.911 3.146 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2ccc(Cl)cc2F)CCC(=O)N1C1CC1 ZINC000284683079 1436040148 /nfs/dbraw/zinc/04/01/48/1436040148.db2.gz XLWFCPCOBHIFSY-VQIMIIECSA-N 0 1 376.863 3.197 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000284703398 1436041391 /nfs/dbraw/zinc/04/13/91/1436041391.db2.gz IEWXWEMZAFPUTK-CVEARBPZSA-N 0 1 380.554 3.216 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000284703707 1436041525 /nfs/dbraw/zinc/04/15/25/1436041525.db2.gz ZCANCWGGVCPTQS-WBVHZDCISA-N 0 1 383.477 3.147 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000284717002 1436042653 /nfs/dbraw/zinc/04/26/53/1436042653.db2.gz VMCXWTZUYWCVNI-CVEARBPZSA-N 0 1 383.452 3.001 20 0 GGADMN CCOc1ccc([C@@H](COC)NC[C@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000284721876 1436043134 /nfs/dbraw/zinc/04/31/34/1436043134.db2.gz JNCXMOYPUDXEDH-SIKLNZKXSA-N 0 1 387.476 3.005 20 0 GGADMN CCOc1ccc([C@@H](COC)NC[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000284721872 1436043152 /nfs/dbraw/zinc/04/31/52/1436043152.db2.gz JNCXMOYPUDXEDH-DENIHFKCSA-N 0 1 387.476 3.005 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284727712 1436044042 /nfs/dbraw/zinc/04/40/42/1436044042.db2.gz IARJAUMXWIDTLP-JTYAGIKBSA-N 0 1 384.879 3.058 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284727705 1436044102 /nfs/dbraw/zinc/04/41/02/1436044102.db2.gz IARJAUMXWIDTLP-DLHOMVGQSA-N 0 1 384.879 3.058 20 0 GGADMN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000284732284 1436044557 /nfs/dbraw/zinc/04/45/57/1436044557.db2.gz WZMXSOLOMXOLJU-WOJBJXKFSA-N 0 1 396.535 3.104 20 0 GGADMN CCc1ccc2c(CN3CCC[C@@](O)(c4cn(C(C)C)nn4)C3)cc(=O)oc2c1 ZINC000284736722 1436044739 /nfs/dbraw/zinc/04/47/39/1436044739.db2.gz WGGLDKZMNPQJLL-QFIPXVFZSA-N 0 1 396.491 3.011 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000284737386 1436044838 /nfs/dbraw/zinc/04/48/38/1436044838.db2.gz DEINIHQISVEBSX-UXHICEINSA-N 0 1 392.507 3.447 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2cc(F)ccc2F)CCCN1C1CC1 ZINC000284737542 1436044878 /nfs/dbraw/zinc/04/48/78/1436044878.db2.gz MULBOTCFMQRCGI-ORAYPTAESA-N 0 1 389.450 3.436 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NCC(C)(C)c2ccccc2Cl)C1 ZINC000284744796 1436045603 /nfs/dbraw/zinc/04/56/03/1436045603.db2.gz CQUJWMPROLGKLD-CJNGLKHVSA-N 0 1 391.903 3.216 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000284744994 1436045616 /nfs/dbraw/zinc/04/56/16/1436045616.db2.gz LBNBTYVQLFJWSO-YIOZNXECSA-N 0 1 380.554 3.214 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000284748380 1436045763 /nfs/dbraw/zinc/04/57/63/1436045763.db2.gz YOJYVNMXAATPGJ-MSOLQXFVSA-N 0 1 398.898 3.494 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)NCc2ccccc2Cl)C1 ZINC000284750399 1436046202 /nfs/dbraw/zinc/04/62/02/1436046202.db2.gz NUMQAUKHRLAZAK-HIFRSBDPSA-N 0 1 375.860 3.007 20 0 GGADMN Cn1nccc1[C@H]1[C@H](N[C@@H]2CCc3c2c(F)ccc3F)CCC(=O)N1C1CC1 ZINC000284750253 1436046249 /nfs/dbraw/zinc/04/62/49/1436046249.db2.gz FWESHQDYKKFMFK-CBGDNZLLSA-N 0 1 386.446 3.170 20 0 GGADMN CCc1onc(C)c1NC(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284751568 1436046421 /nfs/dbraw/zinc/04/64/21/1436046421.db2.gz JLQYZCFQYUHFJB-IFXJQAMLSA-N 0 1 386.500 3.016 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000284765449 1436047697 /nfs/dbraw/zinc/04/76/97/1436047697.db2.gz MPDJXYRRNCKLSM-VGSWGCGISA-N 0 1 379.504 3.075 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccnc2Cl)cc1 ZINC000284778907 1436048976 /nfs/dbraw/zinc/04/89/76/1436048976.db2.gz NRMHTLOFJVHNNV-CHWSQXEVSA-N 0 1 395.912 3.206 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccnc2Cl)cc1 ZINC000284778910 1436049049 /nfs/dbraw/zinc/04/90/49/1436049049.db2.gz NRMHTLOFJVHNNV-STQMWFEESA-N 0 1 395.912 3.206 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cc(-c3ccccc3)cnc2C)C1 ZINC000284780781 1436049272 /nfs/dbraw/zinc/04/92/72/1436049272.db2.gz LKQGXDCIDBAEGK-MJGOQNOKSA-N 0 1 392.463 3.477 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000284797028 1436050429 /nfs/dbraw/zinc/05/04/29/1436050429.db2.gz JLCPTTNITJGJHS-ZBFHGGJFSA-N 0 1 389.887 3.044 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000284795452 1436050558 /nfs/dbraw/zinc/05/05/58/1436050558.db2.gz OYRPICOTHLCUQK-QWHCGFSZSA-N 0 1 395.912 3.206 20 0 GGADMN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000284798304 1436050858 /nfs/dbraw/zinc/05/08/58/1436050858.db2.gz MWLQZOSLOMBDQX-FGTMMUONSA-N 0 1 391.899 3.448 20 0 GGADMN Cc1ccc(-c2cc(NC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)[nH]n2)o1 ZINC000284802929 1436051517 /nfs/dbraw/zinc/05/15/17/1436051517.db2.gz IEVNGSBMLNAGRO-UHFFFAOYSA-N 0 1 395.419 3.095 20 0 GGADMN Cc1ccc2c(C[NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)cc(=O)oc2c1C ZINC000826293095 1441441967 /nfs/dbraw/zinc/44/19/67/1441441967.db2.gz AYFRQAFEEGFACF-UHFFFAOYSA-N 0 1 387.443 3.369 20 0 GGADMN CCC[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)CCO1 ZINC000825259315 1441447066 /nfs/dbraw/zinc/44/70/66/1441447066.db2.gz IFZYNMVUUWKYAK-GFCCVEGCSA-N 0 1 390.394 3.022 20 0 GGADMN CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735617883 1441449664 /nfs/dbraw/zinc/44/96/64/1441449664.db2.gz DYKWMVWFCHSMBY-IBGZPJMESA-N 0 1 395.507 3.155 20 0 GGADMN CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000735617883 1441449666 /nfs/dbraw/zinc/44/96/66/1441449666.db2.gz DYKWMVWFCHSMBY-IBGZPJMESA-N 0 1 395.507 3.155 20 0 GGADMN CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000735617883 1441449667 /nfs/dbraw/zinc/44/96/67/1441449667.db2.gz DYKWMVWFCHSMBY-IBGZPJMESA-N 0 1 395.507 3.155 20 0 GGADMN COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826216910 1441454561 /nfs/dbraw/zinc/45/45/61/1441454561.db2.gz RRZITKBLLDXJOQ-YJBOKZPZSA-N 0 1 378.480 3.195 20 0 GGADMN COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736912631 1441458674 /nfs/dbraw/zinc/45/86/74/1441458674.db2.gz SLTJKDRKDGUJQU-GOSISDBHSA-N 0 1 391.475 3.451 20 0 GGADMN COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736912631 1441458675 /nfs/dbraw/zinc/45/86/75/1441458675.db2.gz SLTJKDRKDGUJQU-GOSISDBHSA-N 0 1 391.475 3.451 20 0 GGADMN COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000736912631 1441458677 /nfs/dbraw/zinc/45/86/77/1441458677.db2.gz SLTJKDRKDGUJQU-GOSISDBHSA-N 0 1 391.475 3.451 20 0 GGADMN COc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1-c1nnn[n-]1 ZINC000821817901 1441479165 /nfs/dbraw/zinc/47/91/65/1441479165.db2.gz AXSINUGIGFQLCC-UHFFFAOYSA-N 0 1 386.868 3.428 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000736265982 1441490465 /nfs/dbraw/zinc/49/04/65/1441490465.db2.gz MCNNTQUJXRJTJZ-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN CC([NH2+]CC(=O)Nc1cccc(-c2nnn[n-]2)c1)(c1ccccc1)c1ccccc1 ZINC000824563691 1441495858 /nfs/dbraw/zinc/49/58/58/1441495858.db2.gz PNGVIVVLGGJLKX-UHFFFAOYSA-N 0 1 398.470 3.359 20 0 GGADMN Cc1c(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cccc1-c1nn[n-]n1 ZINC000822104719 1441509570 /nfs/dbraw/zinc/50/95/70/1441509570.db2.gz PWMGWHMEPWPEAT-UHFFFAOYSA-N 0 1 393.495 3.337 20 0 GGADMN Cc1c(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822104719 1441509572 /nfs/dbraw/zinc/50/95/72/1441509572.db2.gz PWMGWHMEPWPEAT-UHFFFAOYSA-N 0 1 393.495 3.337 20 0 GGADMN Cc1c(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cccc1-c1nnn[n-]1 ZINC000822104719 1441509575 /nfs/dbraw/zinc/50/95/75/1441509575.db2.gz PWMGWHMEPWPEAT-UHFFFAOYSA-N 0 1 393.495 3.337 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821060348 1441511625 /nfs/dbraw/zinc/51/16/25/1441511625.db2.gz BFKSVUQURGKWDO-INIZCTEOSA-N 0 1 399.543 3.081 20 0 GGADMN CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821060348 1441511627 /nfs/dbraw/zinc/51/16/27/1441511627.db2.gz BFKSVUQURGKWDO-INIZCTEOSA-N 0 1 399.543 3.081 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821060348 1441511630 /nfs/dbraw/zinc/51/16/30/1441511630.db2.gz BFKSVUQURGKWDO-INIZCTEOSA-N 0 1 399.543 3.081 20 0 GGADMN C[C@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824599876 1441516838 /nfs/dbraw/zinc/51/68/38/1441516838.db2.gz UDMSGHAUGSAOSP-HNNXBMFYSA-N 0 1 386.463 3.086 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820981916 1441542746 /nfs/dbraw/zinc/54/27/46/1441542746.db2.gz XJVPNLDSSQLCPZ-HOTGVXAUSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820981916 1441542747 /nfs/dbraw/zinc/54/27/47/1441542747.db2.gz XJVPNLDSSQLCPZ-HOTGVXAUSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820981916 1441542749 /nfs/dbraw/zinc/54/27/49/1441542749.db2.gz XJVPNLDSSQLCPZ-HOTGVXAUSA-N 0 1 399.543 3.128 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)[C@@H]1C ZINC000736267295 1441552611 /nfs/dbraw/zinc/55/26/11/1441552611.db2.gz RVAHXJNTIQCPRG-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)[C@@H]1C ZINC000736267295 1441552615 /nfs/dbraw/zinc/55/26/15/1441552615.db2.gz RVAHXJNTIQCPRG-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)[C@@H]1C ZINC000736267295 1441552618 /nfs/dbraw/zinc/55/26/18/1441552618.db2.gz RVAHXJNTIQCPRG-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN c1ccc2ncc(C[N@H+]3CCCN(c4ccccc4-c4nnn[n-]4)CC3)cc2c1 ZINC000826522008 1441562362 /nfs/dbraw/zinc/56/23/62/1441562362.db2.gz HVNVKDTXURYBMR-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc2ncc(C[N@@H+]3CCCN(c4ccccc4-c4nn[n-]n4)CC3)cc2c1 ZINC000826522008 1441562364 /nfs/dbraw/zinc/56/23/64/1441562364.db2.gz HVNVKDTXURYBMR-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc2ncc(C[N@H+]3CCCN(c4ccccc4-c4nn[n-]n4)CC3)cc2c1 ZINC000826522008 1441562365 /nfs/dbraw/zinc/56/23/65/1441562365.db2.gz HVNVKDTXURYBMR-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154838 1441564327 /nfs/dbraw/zinc/56/43/27/1441564327.db2.gz STBNPBGGXYIFRI-WMLDXEAASA-N 0 1 396.520 3.226 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000737030978 1441572171 /nfs/dbraw/zinc/57/21/71/1441572171.db2.gz CFSBJMXGZXBGDQ-LJQANCHMSA-N 0 1 391.475 3.406 20 0 GGADMN C[C@@H]([NH2+]Cc1nc(=O)c2ccc(Cl)cc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634290 1441573731 /nfs/dbraw/zinc/57/37/31/1441573731.db2.gz VFYCFEZJLVEXBU-SNVBAGLBSA-N 0 1 381.827 3.020 20 0 GGADMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000735632616 1441574816 /nfs/dbraw/zinc/57/48/16/1441574816.db2.gz DRDXNLSCCQVHSG-UHFFFAOYSA-N 0 1 386.500 3.184 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569057 1441578851 /nfs/dbraw/zinc/57/88/51/1441578851.db2.gz GFYRGXZBGUVSNG-KDOFPFPSSA-N 0 1 383.471 3.459 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000824572073 1441583880 /nfs/dbraw/zinc/58/38/80/1441583880.db2.gz SLIPLPMHWMZZMD-MEDUHNTESA-N 0 1 377.370 3.270 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001139089527 1441587709 /nfs/dbraw/zinc/58/77/09/1441587709.db2.gz OSOUVTHVEHWYFD-OAQYLSRUSA-N 0 1 398.511 3.232 20 0 GGADMN COc1ccc2oc(C[N@@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826213728 1441588179 /nfs/dbraw/zinc/58/81/79/1441588179.db2.gz JVMJRJHTXUCQAQ-FQEVSTJZSA-N 0 1 391.431 3.195 20 0 GGADMN COc1ccc2oc(C[N@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826213728 1441588183 /nfs/dbraw/zinc/58/81/83/1441588183.db2.gz JVMJRJHTXUCQAQ-FQEVSTJZSA-N 0 1 391.431 3.195 20 0 GGADMN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826507367 1441596245 /nfs/dbraw/zinc/59/62/45/1441596245.db2.gz NLEOLPZJUHITLT-IAGOWNOFSA-N 0 1 389.381 3.193 20 0 GGADMN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826507367 1441596250 /nfs/dbraw/zinc/59/62/50/1441596250.db2.gz NLEOLPZJUHITLT-IAGOWNOFSA-N 0 1 389.381 3.193 20 0 GGADMN Fc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822765937 1441611374 /nfs/dbraw/zinc/61/13/74/1441611374.db2.gz BRYZNSPJQWKMDO-LJQANCHMSA-N 0 1 381.455 3.230 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820419165 1441615497 /nfs/dbraw/zinc/61/54/97/1441615497.db2.gz FDCWYDKDEDTACO-ZBEGNZNMSA-N 0 1 388.269 3.013 20 0 GGADMN OCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000826509758 1441616491 /nfs/dbraw/zinc/61/64/91/1441616491.db2.gz ITWWAFTVIXOUPA-UHFFFAOYSA-N 0 1 378.263 3.168 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820668327 1441623142 /nfs/dbraw/zinc/62/31/42/1441623142.db2.gz RPYWTGOESSJTTH-KDOFPFPSSA-N 0 1 387.447 3.295 20 0 GGADMN C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CC1 ZINC000821622013 1441627897 /nfs/dbraw/zinc/62/78/97/1441627897.db2.gz PALBTKFXNHHECM-UHFFFAOYSA-N 0 1 396.426 3.078 20 0 GGADMN Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(C)c1 ZINC000826282801 1441629824 /nfs/dbraw/zinc/62/98/24/1441629824.db2.gz CRJYCMGLIFTZKK-AWEZNQCLSA-N 0 1 375.436 3.384 20 0 GGADMN C[C@@H]1CC([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C[C@@H](C)O1 ZINC000824893388 1441630171 /nfs/dbraw/zinc/63/01/71/1441630171.db2.gz QHXLSFQNGDHRQK-HZPDHXFCSA-N 0 1 393.491 3.491 20 0 GGADMN C[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824590276 1441630224 /nfs/dbraw/zinc/63/02/24/1441630224.db2.gz AYIIBSGMHWHRMT-AWEZNQCLSA-N 0 1 375.436 3.200 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824617169 1441634474 /nfs/dbraw/zinc/63/44/74/1441634474.db2.gz DZGQTCIQMDYXIN-RHSMWYFYSA-N 0 1 386.500 3.134 20 0 GGADMN C[C@H]1C[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820758837 1441635307 /nfs/dbraw/zinc/63/53/07/1441635307.db2.gz DOPXURFDKPGAIB-SUMWQHHRSA-N 0 1 380.477 3.143 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820758837 1441635309 /nfs/dbraw/zinc/63/53/09/1441635309.db2.gz DOPXURFDKPGAIB-SUMWQHHRSA-N 0 1 380.477 3.143 20 0 GGADMN CCN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825428739 1441639044 /nfs/dbraw/zinc/63/90/44/1441639044.db2.gz SNNLDYFOKNWOET-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CCN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825428739 1441639047 /nfs/dbraw/zinc/63/90/47/1441639047.db2.gz SNNLDYFOKNWOET-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CCN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825428739 1441639049 /nfs/dbraw/zinc/63/90/49/1441639049.db2.gz SNNLDYFOKNWOET-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000737089602 1441644238 /nfs/dbraw/zinc/64/42/38/1441644238.db2.gz YMDVFSBNMQRBOO-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@H+](CCOc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000737089602 1441644242 /nfs/dbraw/zinc/64/42/42/1441644242.db2.gz YMDVFSBNMQRBOO-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](CCOc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000737089602 1441644244 /nfs/dbraw/zinc/64/42/44/1441644244.db2.gz YMDVFSBNMQRBOO-GOSISDBHSA-N 0 1 393.491 3.209 20 0 GGADMN Cn1cc(C[NH2+]CCCCc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361647 1441648048 /nfs/dbraw/zinc/64/80/48/1441648048.db2.gz HDNPFGDRZCZHRL-UHFFFAOYSA-N 0 1 387.491 3.380 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419338 1441653322 /nfs/dbraw/zinc/65/33/22/1441653322.db2.gz GJMFAUVDAPAWLK-CQSZACIVSA-N 0 1 379.464 3.266 20 0 GGADMN C[C@@H]([NH2+]C1(CNc2cccc(F)c2-c2nn[n-]n2)CCOCC1)c1ccccc1 ZINC000736131946 1441669113 /nfs/dbraw/zinc/66/91/13/1441669113.db2.gz MDKHBJZWBUBYBU-OAHLLOKOSA-N 0 1 396.470 3.318 20 0 GGADMN C[NH+](C)CCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821587028 1441672241 /nfs/dbraw/zinc/67/22/41/1441672241.db2.gz CJTYNSHUPGAHTQ-UHFFFAOYSA-N 0 1 390.850 3.212 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1)c1c(F)cccc1F ZINC000736134881 1441682414 /nfs/dbraw/zinc/68/24/14/1441682414.db2.gz WBSPGNQKAACXBV-ZDUSSCGKSA-N 0 1 384.434 3.465 20 0 GGADMN CC(C)[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293293 1441682881 /nfs/dbraw/zinc/68/28/81/1441682881.db2.gz JGKDTUYLAJPPBU-UHFFFAOYSA-N 0 1 375.436 3.327 20 0 GGADMN CC(C)[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293293 1441682883 /nfs/dbraw/zinc/68/28/83/1441682883.db2.gz JGKDTUYLAJPPBU-UHFFFAOYSA-N 0 1 375.436 3.327 20 0 GGADMN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826330607 1441687377 /nfs/dbraw/zinc/68/73/77/1441687377.db2.gz ALJIXQSTVIQUFY-GFCCVEGCSA-N 0 1 395.417 3.490 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000824616959 1441688025 /nfs/dbraw/zinc/68/80/25/1441688025.db2.gz BVJOTDYLQYLPFQ-WMZOPIPTSA-N 0 1 393.491 3.350 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826328954 1441688731 /nfs/dbraw/zinc/68/87/31/1441688731.db2.gz KPQRKGCYLUDVTI-MRXNPFEDSA-N 0 1 391.454 3.329 20 0 GGADMN Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826371760 1441688784 /nfs/dbraw/zinc/68/87/84/1441688784.db2.gz STMRKGYBPPIQEO-UHFFFAOYSA-N 0 1 376.455 3.237 20 0 GGADMN O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826408881 1441698707 /nfs/dbraw/zinc/69/87/07/1441698707.db2.gz YRQFJZKIDUTHPZ-UHFFFAOYSA-N 0 1 390.491 3.076 20 0 GGADMN Cc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2cc(F)ccc2[nH+]1 ZINC000826269816 1441700516 /nfs/dbraw/zinc/70/05/16/1441700516.db2.gz YIRXKSQAKQOBCP-HXUWFJFHSA-N 0 1 390.422 3.440 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820092742 1441703004 /nfs/dbraw/zinc/70/30/04/1441703004.db2.gz ORHDCZDIPWKXEB-ZDUSSCGKSA-N 0 1 391.907 3.010 20 0 GGADMN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820092742 1441703010 /nfs/dbraw/zinc/70/30/10/1441703010.db2.gz ORHDCZDIPWKXEB-ZDUSSCGKSA-N 0 1 391.907 3.010 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820092742 1441703015 /nfs/dbraw/zinc/70/30/15/1441703015.db2.gz ORHDCZDIPWKXEB-ZDUSSCGKSA-N 0 1 391.907 3.010 20 0 GGADMN Clc1nsc(NCC2([NH+]3CCSCC3)CCCCC2)c1-c1nn[n-]n1 ZINC000737585123 1441713306 /nfs/dbraw/zinc/71/33/06/1441713306.db2.gz ZNYHHPSKBBZSBZ-UHFFFAOYSA-N 0 1 399.977 3.140 20 0 GGADMN CCCCOc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC000821077973 1441718405 /nfs/dbraw/zinc/71/84/05/1441718405.db2.gz ZAIJEFCVQDLKJA-UHFFFAOYSA-N 0 1 385.443 3.483 20 0 GGADMN CC[NH+](CC)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000821181356 1441718453 /nfs/dbraw/zinc/71/84/53/1441718453.db2.gz MBCBLVURILPGHD-LLVKDONJSA-N 0 1 389.866 3.128 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000736685496 1441719328 /nfs/dbraw/zinc/71/93/28/1441719328.db2.gz MBPAKTLTLFCBEQ-QGZVFWFLSA-N 0 1 380.452 3.188 20 0 GGADMN Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC000826288055 1441728671 /nfs/dbraw/zinc/72/86/71/1441728671.db2.gz PCXLHHXOCRZDTG-UHFFFAOYSA-N 0 1 390.491 3.334 20 0 GGADMN COCC[N@H+](Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821690730 1441729629 /nfs/dbraw/zinc/72/96/29/1441729629.db2.gz XOEDWWKNOYWMRG-UHFFFAOYSA-N 0 1 395.435 3.178 20 0 GGADMN COCC[N@@H+](Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821690730 1441729632 /nfs/dbraw/zinc/72/96/32/1441729632.db2.gz XOEDWWKNOYWMRG-UHFFFAOYSA-N 0 1 395.435 3.178 20 0 GGADMN CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862240 1441732408 /nfs/dbraw/zinc/73/24/08/1441732408.db2.gz PWVJMXBVZZWBQE-ZYHUDNBSSA-N 0 1 376.530 3.383 20 0 GGADMN Fc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ncccc12 ZINC000826374906 1441744855 /nfs/dbraw/zinc/74/48/55/1441744855.db2.gz RBHAUSMNSIEOSS-IBGZPJMESA-N 0 1 390.422 3.128 20 0 GGADMN Fc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ncccc12 ZINC000826374906 1441744858 /nfs/dbraw/zinc/74/48/58/1441744858.db2.gz RBHAUSMNSIEOSS-IBGZPJMESA-N 0 1 390.422 3.128 20 0 GGADMN Fc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1Br ZINC000822767056 1441745818 /nfs/dbraw/zinc/74/58/18/1441745818.db2.gz UYHGARZELMDRFT-UHFFFAOYSA-N 0 1 382.262 3.162 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000826521375 1441757246 /nfs/dbraw/zinc/75/72/46/1441757246.db2.gz JXMUIHRXSZPPJJ-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000826521375 1441757250 /nfs/dbraw/zinc/75/72/50/1441757250.db2.gz JXMUIHRXSZPPJJ-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000826521375 1441757254 /nfs/dbraw/zinc/75/72/54/1441757254.db2.gz JXMUIHRXSZPPJJ-UHFFFAOYSA-N 0 1 382.537 3.069 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763239 1441760617 /nfs/dbraw/zinc/76/06/17/1441760617.db2.gz LWXCOQUCDFDDQM-IUODEOHRSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763239 1441760619 /nfs/dbraw/zinc/76/06/19/1441760619.db2.gz LWXCOQUCDFDDQM-IUODEOHRSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763239 1441760620 /nfs/dbraw/zinc/76/06/20/1441760620.db2.gz LWXCOQUCDFDDQM-IUODEOHRSA-N 0 1 391.401 3.480 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826328835 1441761021 /nfs/dbraw/zinc/76/10/21/1441761021.db2.gz FXZPWIFTTWWHGH-KRWDZBQOSA-N 0 1 391.454 3.329 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820643799 1441765023 /nfs/dbraw/zinc/76/50/23/1441765023.db2.gz ZKVHRUWWVRYQTG-GDBMZVCRSA-N 0 1 396.520 3.210 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820643799 1441765027 /nfs/dbraw/zinc/76/50/27/1441765027.db2.gz ZKVHRUWWVRYQTG-GDBMZVCRSA-N 0 1 396.520 3.210 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820643799 1441765032 /nfs/dbraw/zinc/76/50/32/1441765032.db2.gz ZKVHRUWWVRYQTG-GDBMZVCRSA-N 0 1 396.520 3.210 20 0 GGADMN c1cc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765500 /nfs/dbraw/zinc/76/55/00/1441765500.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN c1cc(C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765504 /nfs/dbraw/zinc/76/55/04/1441765504.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN c1cc(C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765507 /nfs/dbraw/zinc/76/55/07/1441765507.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN c1cc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765511 /nfs/dbraw/zinc/76/55/11/1441765511.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN c1cc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765514 /nfs/dbraw/zinc/76/55/14/1441765514.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN c1cc(C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765518 /nfs/dbraw/zinc/76/55/18/1441765518.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN c1cc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc2c1CCC2 ZINC000738404993 1441765521 /nfs/dbraw/zinc/76/55/21/1441765521.db2.gz JYVAIUBNEGYBED-UHFFFAOYSA-N 0 1 388.519 3.063 20 0 GGADMN O[C@H](C[N@@H+](Cc1cccc(F)c1)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673351 1441776462 /nfs/dbraw/zinc/77/64/62/1441776462.db2.gz LEPYCSFBXZIJMI-HXUWFJFHSA-N 0 1 381.455 3.484 20 0 GGADMN O[C@H](C[N@H+](Cc1cccc(F)c1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673351 1441776466 /nfs/dbraw/zinc/77/64/66/1441776466.db2.gz LEPYCSFBXZIJMI-HXUWFJFHSA-N 0 1 381.455 3.484 20 0 GGADMN O[C@H](C[N@@H+](Cc1cccc(F)c1)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673351 1441776468 /nfs/dbraw/zinc/77/64/68/1441776468.db2.gz LEPYCSFBXZIJMI-HXUWFJFHSA-N 0 1 381.455 3.484 20 0 GGADMN c1ccc([C@@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCS2)cc1 ZINC000826521097 1441778418 /nfs/dbraw/zinc/77/84/18/1441778418.db2.gz ZPJIHRNYOFRFLI-SFHVURJKSA-N 0 1 378.505 3.435 20 0 GGADMN COc1cccc([C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)N2CCCC2)c1 ZINC000826214755 1441778741 /nfs/dbraw/zinc/77/87/41/1441778741.db2.gz WCFRMDMCGUQLMU-KKSFZXQISA-N 0 1 392.507 3.363 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000737843580 1441780448 /nfs/dbraw/zinc/78/04/48/1441780448.db2.gz KTSAZMYZHJMTPP-GOSISDBHSA-N 0 1 390.491 3.465 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000737843580 1441780451 /nfs/dbraw/zinc/78/04/51/1441780451.db2.gz KTSAZMYZHJMTPP-GOSISDBHSA-N 0 1 390.491 3.465 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000737843580 1441780453 /nfs/dbraw/zinc/78/04/53/1441780453.db2.gz KTSAZMYZHJMTPP-GOSISDBHSA-N 0 1 390.491 3.465 20 0 GGADMN O[C@@H](C[NH+]1CCC(c2ccc(F)c(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672922 1441787788 /nfs/dbraw/zinc/78/77/88/1441787788.db2.gz HVNFDYIUGPTORK-IBGZPJMESA-N 0 1 385.418 3.058 20 0 GGADMN Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826290534 1441789396 /nfs/dbraw/zinc/78/93/96/1441789396.db2.gz PKFIXQLAIHWTNO-LLVKDONJSA-N 0 1 388.834 3.257 20 0 GGADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000738412963 1441790986 /nfs/dbraw/zinc/79/09/86/1441790986.db2.gz KIHRTBBUGYBVBB-UHFFFAOYSA-N 0 1 386.463 3.018 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000826170268 1441797734 /nfs/dbraw/zinc/79/77/34/1441797734.db2.gz URJWXIWNAIMUDU-GOSISDBHSA-N 0 1 395.463 3.048 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000826194655 1441800109 /nfs/dbraw/zinc/80/01/09/1441800109.db2.gz RXNQTLVFFKXZIF-GOSISDBHSA-N 0 1 389.463 3.099 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000826194655 1441800114 /nfs/dbraw/zinc/80/01/14/1441800114.db2.gz RXNQTLVFFKXZIF-GOSISDBHSA-N 0 1 389.463 3.099 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820722655 1441804357 /nfs/dbraw/zinc/80/43/57/1441804357.db2.gz LBVBMTHIWVGRGF-VBKZILBWSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820722655 1441804359 /nfs/dbraw/zinc/80/43/59/1441804359.db2.gz LBVBMTHIWVGRGF-VBKZILBWSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820722655 1441804360 /nfs/dbraw/zinc/80/43/60/1441804360.db2.gz LBVBMTHIWVGRGF-VBKZILBWSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000824585987 1441805968 /nfs/dbraw/zinc/80/59/68/1441805968.db2.gz VTXRZLWBHSBBFD-SECBINFHSA-N 0 1 394.863 3.400 20 0 GGADMN Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000822753049 1441814019 /nfs/dbraw/zinc/81/40/19/1441814019.db2.gz AOEYQWWDFULTTE-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN Cn1nc(CCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)o2)cc1-c1ccc(F)cc1 ZINC000825923565 1441821526 /nfs/dbraw/zinc/82/15/26/1441821526.db2.gz MHORXVBDCUGXCI-UHFFFAOYSA-N 0 1 395.442 3.064 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569663 1441827175 /nfs/dbraw/zinc/82/71/75/1441827175.db2.gz JKZRIPBJVFINMJ-BZNIZROVSA-N 0 1 388.269 3.013 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)o2)C1 ZINC000820649385 1441829918 /nfs/dbraw/zinc/82/99/18/1441829918.db2.gz LHWFGRVORXPKMU-HZPDHXFCSA-N 0 1 380.496 3.227 20 0 GGADMN CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000736478773 1441830452 /nfs/dbraw/zinc/83/04/52/1441830452.db2.gz CBAJVMHBJBREGM-IBGZPJMESA-N 0 1 399.543 3.053 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000736478773 1441830454 /nfs/dbraw/zinc/83/04/54/1441830454.db2.gz CBAJVMHBJBREGM-IBGZPJMESA-N 0 1 399.543 3.053 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000736478773 1441830458 /nfs/dbraw/zinc/83/04/58/1441830458.db2.gz CBAJVMHBJBREGM-IBGZPJMESA-N 0 1 399.543 3.053 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820612739 1441832447 /nfs/dbraw/zinc/83/24/47/1441832447.db2.gz IBWRZFUDHIDABM-IRLDBZIGSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612739 1441832450 /nfs/dbraw/zinc/83/24/50/1441832450.db2.gz IBWRZFUDHIDABM-IRLDBZIGSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820612739 1441832454 /nfs/dbraw/zinc/83/24/54/1441832454.db2.gz IBWRZFUDHIDABM-IRLDBZIGSA-N 0 1 377.492 3.245 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820723114 1441838449 /nfs/dbraw/zinc/83/84/49/1441838449.db2.gz WIEDCMQCOZXXOZ-CQSZACIVSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@@H]1CC[N@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820723114 1441838453 /nfs/dbraw/zinc/83/84/53/1441838453.db2.gz WIEDCMQCOZXXOZ-CQSZACIVSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820723114 1441838458 /nfs/dbraw/zinc/83/84/58/1441838458.db2.gz WIEDCMQCOZXXOZ-CQSZACIVSA-N 0 1 384.509 3.261 20 0 GGADMN Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000822233435 1441839172 /nfs/dbraw/zinc/83/91/72/1441839172.db2.gz OTMXBXCBXOTQSY-NVXWUHKLSA-N 0 1 396.520 3.443 20 0 GGADMN CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824271024 1441849655 /nfs/dbraw/zinc/84/96/55/1441849655.db2.gz KHFVUBDQJFSANO-QRWLVFNGSA-N 0 1 381.480 3.286 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000826168627 1441851702 /nfs/dbraw/zinc/85/17/02/1441851702.db2.gz TUZPSOGBDRXBEQ-FQEVSTJZSA-N 0 1 393.491 3.137 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000826168627 1441851705 /nfs/dbraw/zinc/85/17/05/1441851705.db2.gz TUZPSOGBDRXBEQ-FQEVSTJZSA-N 0 1 393.491 3.137 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000826168627 1441851708 /nfs/dbraw/zinc/85/17/08/1441851708.db2.gz TUZPSOGBDRXBEQ-FQEVSTJZSA-N 0 1 393.491 3.137 20 0 GGADMN Cc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C ZINC000822289526 1441855475 /nfs/dbraw/zinc/85/54/75/1441855475.db2.gz YNXRLSYXNQUUMH-INIZCTEOSA-N 0 1 377.496 3.198 20 0 GGADMN C[NH+](C)CC[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000736759873 1441875239 /nfs/dbraw/zinc/87/52/39/1441875239.db2.gz YEIDUKLJVUBQRF-CQSZACIVSA-N 0 1 395.964 3.173 20 0 GGADMN CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820072104 1441885131 /nfs/dbraw/zinc/88/51/31/1441885131.db2.gz BODALYHFPSJMFM-AWEZNQCLSA-N 0 1 376.892 3.359 20 0 GGADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094226 1441890943 /nfs/dbraw/zinc/89/09/43/1441890943.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094226 1441890947 /nfs/dbraw/zinc/89/09/47/1441890947.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094226 1441890950 /nfs/dbraw/zinc/89/09/50/1441890950.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094226 1441890953 /nfs/dbraw/zinc/89/09/53/1441890953.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094226 1441890957 /nfs/dbraw/zinc/89/09/57/1441890957.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094226 1441890961 /nfs/dbraw/zinc/89/09/61/1441890961.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139094226 1441890964 /nfs/dbraw/zinc/89/09/64/1441890964.db2.gz ZNXKNJHDOWQJPJ-LAUBAEHRSA-N 0 1 376.508 3.209 20 0 GGADMN Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826377553 1441904154 /nfs/dbraw/zinc/90/41/54/1441904154.db2.gz WRDCXCXHDGEQBU-HNAYVOBHSA-N 0 1 396.445 3.391 20 0 GGADMN COc1ccc(C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cc1-c1nn[n-]n1 ZINC000826201927 1441907189 /nfs/dbraw/zinc/90/71/89/1441907189.db2.gz ILHBQBFIJHHYRZ-GOSISDBHSA-N 0 1 394.435 3.209 20 0 GGADMN CO[C@@H](C)c1nc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)cs1 ZINC000821674952 1441908301 /nfs/dbraw/zinc/90/83/01/1441908301.db2.gz ACGNNALHOOQUOI-LBPRGKRZSA-N 0 1 395.492 3.230 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000826248043 1441916601 /nfs/dbraw/zinc/91/66/01/1441916601.db2.gz UVDAJWGPSZGCHC-HNNXBMFYSA-N 0 1 378.480 3.034 20 0 GGADMN C[C@H]([NH2+]C(C)(C)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736126019 1441918707 /nfs/dbraw/zinc/91/87/07/1441918707.db2.gz LNJQIMOAOPYRHC-FIPLFPIMSA-N 0 1 390.491 3.126 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000737033004 1441918748 /nfs/dbraw/zinc/91/87/48/1441918748.db2.gz QJEJPQDTKDNMIG-GOSISDBHSA-N 0 1 379.464 3.400 20 0 GGADMN COc1ccc(OC)c(C[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000821841109 1441922983 /nfs/dbraw/zinc/92/29/83/1441922983.db2.gz BVUAZYBNBJXZPE-UHFFFAOYSA-N 0 1 383.427 3.188 20 0 GGADMN COc1ccc(OC)c(C[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000821841109 1441922985 /nfs/dbraw/zinc/92/29/85/1441922985.db2.gz BVUAZYBNBJXZPE-UHFFFAOYSA-N 0 1 383.427 3.188 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736227378 1441928175 /nfs/dbraw/zinc/92/81/75/1441928175.db2.gz CSTGBIRVGHOFKG-QFIPXVFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227378 1441928178 /nfs/dbraw/zinc/92/81/78/1441928178.db2.gz CSTGBIRVGHOFKG-QFIPXVFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227378 1441928179 /nfs/dbraw/zinc/92/81/79/1441928179.db2.gz CSTGBIRVGHOFKG-QFIPXVFZSA-N 0 1 390.491 3.249 20 0 GGADMN CC1(C)CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824808737 1441931746 /nfs/dbraw/zinc/93/17/46/1441931746.db2.gz YCSJRTYGKHFWAD-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824808737 1441931749 /nfs/dbraw/zinc/93/17/49/1441931749.db2.gz YCSJRTYGKHFWAD-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824808737 1441931750 /nfs/dbraw/zinc/93/17/50/1441931750.db2.gz YCSJRTYGKHFWAD-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c2ccccc21 ZINC000820590270 1441963502 /nfs/dbraw/zinc/96/35/02/1441963502.db2.gz RDOXGIZCKLMAPI-IBGZPJMESA-N 0 1 389.507 3.243 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000736198262 1441967451 /nfs/dbraw/zinc/96/74/51/1441967451.db2.gz RTQFNMFLSBRLGL-KRWDZBQOSA-N 0 1 399.502 3.294 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821188636 1441971798 /nfs/dbraw/zinc/97/17/98/1441971798.db2.gz BHCFIGKGZISKNJ-UHFFFAOYSA-N 0 1 388.516 3.411 20 0 GGADMN CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c2ccccc21 ZINC000823975339 1441975677 /nfs/dbraw/zinc/97/56/77/1441975677.db2.gz XCJQOZKHKACFOO-VQTJNVASSA-N 0 1 388.475 3.332 20 0 GGADMN CCc1nn(C)c(Cl)c1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825759445 1441977572 /nfs/dbraw/zinc/97/75/72/1441977572.db2.gz HJSKDOMVIZWVMS-UHFFFAOYSA-N 0 1 383.887 3.105 20 0 GGADMN CCc1nn(C)c(Cl)c1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825759445 1441977576 /nfs/dbraw/zinc/97/75/76/1441977576.db2.gz HJSKDOMVIZWVMS-UHFFFAOYSA-N 0 1 383.887 3.105 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821818195 1441980628 /nfs/dbraw/zinc/98/06/28/1441980628.db2.gz KUJNSRDGHUOYOA-UHFFFAOYSA-N 0 1 381.333 3.323 20 0 GGADMN O=C(CC[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964849 1441990034 /nfs/dbraw/zinc/99/00/34/1441990034.db2.gz QYJKIUJKXNOKBH-QGZVFWFLSA-N 0 1 380.452 3.406 20 0 GGADMN c1ccc([C@H]([NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)C2CCOCC2)cc1 ZINC000826520285 1441993809 /nfs/dbraw/zinc/99/38/09/1441993809.db2.gz FFZBXDBBDQIXJX-NRFANRHFSA-N 0 1 393.491 3.393 20 0 GGADMN CC1(C)CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824801679 1441995547 /nfs/dbraw/zinc/99/55/47/1441995547.db2.gz GCPHISMGDOKFIZ-LJQANCHMSA-N 0 1 396.539 3.117 20 0 GGADMN CC1(C)CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801679 1441995550 /nfs/dbraw/zinc/99/55/50/1441995550.db2.gz GCPHISMGDOKFIZ-LJQANCHMSA-N 0 1 396.539 3.117 20 0 GGADMN CC1(C)CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824801679 1441995552 /nfs/dbraw/zinc/99/55/52/1441995552.db2.gz GCPHISMGDOKFIZ-LJQANCHMSA-N 0 1 396.539 3.117 20 0 GGADMN Fc1ccc(C=CC[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826374195 1441998878 /nfs/dbraw/zinc/99/88/78/1441998878.db2.gz PISJXFNITUCGEK-OWOJBTEDSA-N 0 1 394.454 3.394 20 0 GGADMN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820882684 1442000125 /nfs/dbraw/zinc/00/01/25/1442000125.db2.gz XLVNKUBMHBREQB-JXFKEZNVSA-N 0 1 395.507 3.332 20 0 GGADMN CS[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826226950 1442004282 /nfs/dbraw/zinc/00/42/82/1442004282.db2.gz JBPZBYLFDASJMX-MOPGFXCFSA-N 0 1 386.569 3.095 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)[C@H]1C ZINC000820727056 1442005398 /nfs/dbraw/zinc/00/53/98/1442005398.db2.gz GEPUSSFCORHDEK-UPJWGTAASA-N 0 1 388.541 3.112 20 0 GGADMN C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)[C@H]1C ZINC000820727056 1442005402 /nfs/dbraw/zinc/00/54/02/1442005402.db2.gz GEPUSSFCORHDEK-UPJWGTAASA-N 0 1 388.541 3.112 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)[C@H]1C ZINC000820727056 1442005404 /nfs/dbraw/zinc/00/54/04/1442005404.db2.gz GEPUSSFCORHDEK-UPJWGTAASA-N 0 1 388.541 3.112 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139097176 1442014891 /nfs/dbraw/zinc/01/48/91/1442014891.db2.gz VJLZAYXANJCHFY-QGZVFWFLSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139097176 1442014894 /nfs/dbraw/zinc/01/48/94/1442014894.db2.gz VJLZAYXANJCHFY-QGZVFWFLSA-N 0 1 386.500 3.087 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139097176 1442014898 /nfs/dbraw/zinc/01/48/98/1442014898.db2.gz VJLZAYXANJCHFY-QGZVFWFLSA-N 0 1 386.500 3.087 20 0 GGADMN Fc1ccc(F)c(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826374570 1442015591 /nfs/dbraw/zinc/01/55/91/1442015591.db2.gz DTHTWCPXCBGCPA-UHFFFAOYSA-N 0 1 386.406 3.020 20 0 GGADMN C[C@@H](O)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820473381 1442016974 /nfs/dbraw/zinc/01/69/74/1442016974.db2.gz BIGSJIFIHOLULM-MRXNPFEDSA-N 0 1 395.507 3.332 20 0 GGADMN CCc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825722855 1442037642 /nfs/dbraw/zinc/03/76/42/1442037642.db2.gz MVEOFNWJZJAFMK-UHFFFAOYSA-N 0 1 393.495 3.025 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825621384 1442046507 /nfs/dbraw/zinc/04/65/07/1442046507.db2.gz RPJQRQQMSHKTSQ-UHFFFAOYSA-N 0 1 379.464 3.222 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825621384 1442046510 /nfs/dbraw/zinc/04/65/10/1442046510.db2.gz RPJQRQQMSHKTSQ-UHFFFAOYSA-N 0 1 379.464 3.222 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000735628136 1442050566 /nfs/dbraw/zinc/05/05/66/1442050566.db2.gz RHDFOKDKEXNYDV-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2cccc(-c3nn[n-]n3)c2)C2CC2)CC1 ZINC000735628136 1442050568 /nfs/dbraw/zinc/05/05/68/1442050568.db2.gz RHDFOKDKEXNYDV-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C2CC2)CC1 ZINC000735628136 1442050571 /nfs/dbraw/zinc/05/05/71/1442050571.db2.gz RHDFOKDKEXNYDV-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824385610 1442054491 /nfs/dbraw/zinc/05/44/91/1442054491.db2.gz XPXDFBLEWDGVJI-LLVKDONJSA-N 0 1 388.834 3.166 20 0 GGADMN C[NH+](C)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581522 1442069252 /nfs/dbraw/zinc/06/92/52/1442069252.db2.gz NRZAKFKPRWSZDA-SNVBAGLBSA-N 0 1 384.296 3.345 20 0 GGADMN C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820814017 1442079528 /nfs/dbraw/zinc/07/95/28/1442079528.db2.gz PTKRXTMMUAMLBL-HNNXBMFYSA-N 0 1 392.482 3.421 20 0 GGADMN CC(C)[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000820027333 1442079578 /nfs/dbraw/zinc/07/95/78/1442079578.db2.gz QSLBEICZAONXKZ-SFHVURJKSA-N 0 1 375.436 3.404 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826237980 1442114687 /nfs/dbraw/zinc/11/46/87/1442114687.db2.gz SATBLNFRBWBEAU-OBJOEFQTSA-N 0 1 375.908 3.065 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824613912 1442149483 /nfs/dbraw/zinc/14/94/83/1442149483.db2.gz YITMGZXPDFMJOY-PBHICJAKSA-N 0 1 386.500 3.134 20 0 GGADMN CCOc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736637102 1442151143 /nfs/dbraw/zinc/15/11/43/1442151143.db2.gz MYVIQHWLEPQTLG-FQEVSTJZSA-N 0 1 379.464 3.481 20 0 GGADMN CC(C)(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000819958418 1442165641 /nfs/dbraw/zinc/16/56/41/1442165641.db2.gz KHBXDNKBAAGNJD-UHFFFAOYSA-N 0 1 397.552 3.379 20 0 GGADMN C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCC[N@H+]1Cc1ccccc1 ZINC000820623699 1442175413 /nfs/dbraw/zinc/17/54/13/1442175413.db2.gz WQOWWWINKFMKSJ-LJQANCHMSA-N 0 1 383.477 3.140 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618534 1442197001 /nfs/dbraw/zinc/19/70/01/1442197001.db2.gz OTZXWQBLRAKRHG-ZDUSSCGKSA-N 0 1 382.493 3.491 20 0 GGADMN C[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824586532 1442209520 /nfs/dbraw/zinc/20/95/20/1442209520.db2.gz ZNTQVMSXEHLZKC-MRXNPFEDSA-N 0 1 379.464 3.431 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2c(Cl)cccc2Cl)[nH+]1 ZINC000737242851 1442214065 /nfs/dbraw/zinc/21/40/65/1442214065.db2.gz ZNPWMVUXHNHYJZ-GFCCVEGCSA-N 0 1 379.251 3.331 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000826341272 1442237333 /nfs/dbraw/zinc/23/73/33/1442237333.db2.gz BWPQGWOAYHTADL-VHSXEESVSA-N 0 1 390.394 3.033 20 0 GGADMN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825014221 1442239263 /nfs/dbraw/zinc/23/92/63/1442239263.db2.gz VDMSBLJZKJTWET-BTYIYWSLSA-N 0 1 379.464 3.103 20 0 GGADMN CC[C@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159525 1442255380 /nfs/dbraw/zinc/25/53/80/1442255380.db2.gz PHUCODXXKSQGQJ-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159525 1442255384 /nfs/dbraw/zinc/25/53/84/1442255384.db2.gz PHUCODXXKSQGQJ-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@H](c1ccccc1)[N@H+](CC)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825159525 1442255388 /nfs/dbraw/zinc/25/53/88/1442255388.db2.gz PHUCODXXKSQGQJ-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CC)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825159525 1442255391 /nfs/dbraw/zinc/25/53/91/1442255391.db2.gz PHUCODXXKSQGQJ-LJQANCHMSA-N 0 1 399.520 3.114 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323110 1442276680 /nfs/dbraw/zinc/27/66/80/1442276680.db2.gz ORLVUSVDKTWKFP-CYBMUJFWSA-N 0 1 392.529 3.150 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323110 1442276682 /nfs/dbraw/zinc/27/66/82/1442276682.db2.gz ORLVUSVDKTWKFP-CYBMUJFWSA-N 0 1 392.529 3.150 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323110 1442276685 /nfs/dbraw/zinc/27/66/85/1442276685.db2.gz ORLVUSVDKTWKFP-CYBMUJFWSA-N 0 1 392.529 3.150 20 0 GGADMN Cc1cc(N2CCC[C@@H](Nc3ccc(Cl)cc3-c3nnn[n-]3)C2)nc(C)[nH+]1 ZINC000822207043 1442281100 /nfs/dbraw/zinc/28/11/00/1442281100.db2.gz JHMDNYICEXSAQC-CQSZACIVSA-N 0 1 384.875 3.008 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736321347 1442282019 /nfs/dbraw/zinc/28/20/19/1442282019.db2.gz CAMLMUKJSDFLAU-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)[N@H+](C)CCNCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736321347 1442282022 /nfs/dbraw/zinc/28/20/22/1442282022.db2.gz CAMLMUKJSDFLAU-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNCc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736321347 1442282030 /nfs/dbraw/zinc/28/20/30/1442282030.db2.gz CAMLMUKJSDFLAU-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736321347 1442282036 /nfs/dbraw/zinc/28/20/36/1442282036.db2.gz CAMLMUKJSDFLAU-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736321347 1442282041 /nfs/dbraw/zinc/28/20/41/1442282041.db2.gz CAMLMUKJSDFLAU-KRWDZBQOSA-N 0 1 394.523 3.266 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(Cl)c1 ZINC000822765910 1442285569 /nfs/dbraw/zinc/28/55/69/1442285569.db2.gz ANOSJFDAHHJWTB-OAHLLOKOSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(Cl)c1 ZINC000822765910 1442285574 /nfs/dbraw/zinc/28/55/74/1442285574.db2.gz ANOSJFDAHHJWTB-OAHLLOKOSA-N 0 1 387.850 3.131 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736226919 1442293486 /nfs/dbraw/zinc/29/34/86/1442293486.db2.gz JHVTVMDEYVOZLL-STQMWFEESA-N 0 1 397.449 3.451 20 0 GGADMN Clc1cccc(-c2nn[n-]n2)c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000822582381 1442298115 /nfs/dbraw/zinc/29/81/15/1442298115.db2.gz SBRNYBYFJJBXRR-UHFFFAOYSA-N 0 1 378.933 3.294 20 0 GGADMN COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826220515 1442320267 /nfs/dbraw/zinc/32/02/67/1442320267.db2.gz QAGUDDAATSYFHQ-UONOGXRCSA-N 0 1 385.443 3.380 20 0 GGADMN Cc1sc2[nH]c(C[NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)nc(=O)c2c1C ZINC000826350441 1442326073 /nfs/dbraw/zinc/32/60/73/1442326073.db2.gz WLCIASQHGIGIFR-JTQLQIEISA-N 0 1 381.465 3.045 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826208517 1442327379 /nfs/dbraw/zinc/32/73/79/1442327379.db2.gz OFTSBXWNMMOOIN-SUMWQHHRSA-N 0 1 398.898 3.458 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204555 1442335338 /nfs/dbraw/zinc/33/53/38/1442335338.db2.gz RNWWGBNEWVOOAL-GOEBONIOSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204555 1442335343 /nfs/dbraw/zinc/33/53/43/1442335343.db2.gz RNWWGBNEWVOOAL-GOEBONIOSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204555 1442335347 /nfs/dbraw/zinc/33/53/47/1442335347.db2.gz RNWWGBNEWVOOAL-GOEBONIOSA-N 0 1 386.463 3.057 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737845179 1442336217 /nfs/dbraw/zinc/33/62/17/1442336217.db2.gz XRPREQQSFYISIL-INIZCTEOSA-N 0 1 396.520 3.212 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737845179 1442336220 /nfs/dbraw/zinc/33/62/20/1442336220.db2.gz XRPREQQSFYISIL-INIZCTEOSA-N 0 1 396.520 3.212 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737845179 1442336225 /nfs/dbraw/zinc/33/62/25/1442336225.db2.gz XRPREQQSFYISIL-INIZCTEOSA-N 0 1 396.520 3.212 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824612956 1442339290 /nfs/dbraw/zinc/33/92/90/1442339290.db2.gz QGENXUOBMYHKFS-HNNXBMFYSA-N 0 1 398.470 3.483 20 0 GGADMN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000822228966 1442344782 /nfs/dbraw/zinc/34/47/82/1442344782.db2.gz JTYRZMPITKDRSJ-MRXNPFEDSA-N 0 1 377.496 3.198 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000822015140 1442348348 /nfs/dbraw/zinc/34/83/48/1442348348.db2.gz FBLWAVJMWWEVAS-MRXNPFEDSA-N 0 1 399.543 3.317 20 0 GGADMN C[C@@H](CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)NC(=O)OC(C)(C)C ZINC000824402309 1442350393 /nfs/dbraw/zinc/35/03/93/1442350393.db2.gz VOBLNUKGSOFTFC-GUYCJALGSA-N 0 1 386.500 3.137 20 0 GGADMN COc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1OC(=O)C1CC1 ZINC000826179399 1442358579 /nfs/dbraw/zinc/35/85/79/1442358579.db2.gz MUMSIIMOMJGTKY-ZDUSSCGKSA-N 0 1 393.447 3.042 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)C1 ZINC000824876113 1442363889 /nfs/dbraw/zinc/36/38/89/1442363889.db2.gz QEQHADGNVRTHMC-HOTGVXAUSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824571813 1442367318 /nfs/dbraw/zinc/36/73/18/1442367318.db2.gz RYIRLZXVTBRKOQ-QRWLVFNGSA-N 0 1 395.507 3.360 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000826182320 1442369721 /nfs/dbraw/zinc/36/97/21/1442369721.db2.gz HAPXMHZRWCXGSR-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000826182320 1442369725 /nfs/dbraw/zinc/36/97/25/1442369725.db2.gz HAPXMHZRWCXGSR-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000826182320 1442369730 /nfs/dbraw/zinc/36/97/30/1442369730.db2.gz HAPXMHZRWCXGSR-IBGZPJMESA-N 0 1 397.454 3.196 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001139850729 1442371964 /nfs/dbraw/zinc/37/19/64/1442371964.db2.gz MJUKZPFSHHNTCY-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001139850729 1442371966 /nfs/dbraw/zinc/37/19/66/1442371966.db2.gz MJUKZPFSHHNTCY-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001139850729 1442371970 /nfs/dbraw/zinc/37/19/70/1442371970.db2.gz MJUKZPFSHHNTCY-NRFANRHFSA-N 0 1 398.511 3.090 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824571810 1442384049 /nfs/dbraw/zinc/38/40/49/1442384049.db2.gz RYIRLZXVTBRKOQ-MGPUTAFESA-N 0 1 395.507 3.360 20 0 GGADMN C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)C(C)(C)C[NH+](C)C ZINC000820450865 1442390691 /nfs/dbraw/zinc/39/06/91/1442390691.db2.gz PYYWQUKWKNRRCE-SNVBAGLBSA-N 0 1 375.427 3.081 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000824532624 1442397816 /nfs/dbraw/zinc/39/78/16/1442397816.db2.gz VVQNGNMMQGYGAU-RDBSUJKOSA-N 0 1 394.454 3.023 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)CC(C)(C)C ZINC000736791307 1442401847 /nfs/dbraw/zinc/40/18/47/1442401847.db2.gz DPGYZKCIAPXNMO-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN C[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)CC(C)(C)C ZINC000736791307 1442401848 /nfs/dbraw/zinc/40/18/48/1442401848.db2.gz DPGYZKCIAPXNMO-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)CC(C)(C)C ZINC000736791307 1442401850 /nfs/dbraw/zinc/40/18/50/1442401850.db2.gz DPGYZKCIAPXNMO-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824899071 1442405950 /nfs/dbraw/zinc/40/59/50/1442405950.db2.gz HRALTOMRBMNHQG-UZLBHIALSA-N 0 1 392.507 3.291 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000824899071 1442405953 /nfs/dbraw/zinc/40/59/53/1442405953.db2.gz HRALTOMRBMNHQG-UZLBHIALSA-N 0 1 392.507 3.291 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000824899071 1442405955 /nfs/dbraw/zinc/40/59/55/1442405955.db2.gz HRALTOMRBMNHQG-UZLBHIALSA-N 0 1 392.507 3.291 20 0 GGADMN C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824938104 1442409310 /nfs/dbraw/zinc/40/93/10/1442409310.db2.gz SVJJLSVTBSCAKM-OXJNMPFZSA-N 0 1 380.540 3.489 20 0 GGADMN Cc1cc[nH+]c(N(C)CCCc2cc(-c3ccc(F)cc3)no2)c1-c1nnn[n-]1 ZINC000826309236 1442440358 /nfs/dbraw/zinc/44/03/58/1442440358.db2.gz IRPZLOYJGDOLBY-UHFFFAOYSA-N 0 1 393.426 3.433 20 0 GGADMN c1ccc2c(c1)nccc2N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738438142 1442466882 /nfs/dbraw/zinc/46/68/82/1442466882.db2.gz XPURERDGXBLZOJ-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc2c(c1)nccc2N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738438142 1442466884 /nfs/dbraw/zinc/46/68/84/1442466884.db2.gz XPURERDGXBLZOJ-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN FC(F)(F)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1-c1nnn[n-]1 ZINC000822723263 1442471361 /nfs/dbraw/zinc/47/13/61/1442471361.db2.gz BNSAAIANCVKAPI-YVEFUNNKSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1-c1nn[n-]n1 ZINC000822723263 1442471365 /nfs/dbraw/zinc/47/13/65/1442471365.db2.gz BNSAAIANCVKAPI-YVEFUNNKSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1-c1nn[n-]n1 ZINC000822723263 1442471369 /nfs/dbraw/zinc/47/13/69/1442471369.db2.gz BNSAAIANCVKAPI-YVEFUNNKSA-N 0 1 392.429 3.339 20 0 GGADMN Fc1ccccc1[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737666361 1442475779 /nfs/dbraw/zinc/47/57/79/1442475779.db2.gz WWZNQTAXOZBGAB-QGZVFWFLSA-N 0 1 389.438 3.316 20 0 GGADMN Fc1ccccc1[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737666361 1442475782 /nfs/dbraw/zinc/47/57/82/1442475782.db2.gz WWZNQTAXOZBGAB-QGZVFWFLSA-N 0 1 389.438 3.316 20 0 GGADMN O[C@@H](C[NH+]1CCC(Oc2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503149 1442476216 /nfs/dbraw/zinc/47/62/16/1442476216.db2.gz RMFUKHKRZZFWFG-SFHVURJKSA-N 0 1 399.882 3.097 20 0 GGADMN C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2sccc2C1 ZINC000824571824 1442476639 /nfs/dbraw/zinc/47/66/39/1442476639.db2.gz SADSEYXIBDBTBS-STQMWFEESA-N 0 1 386.500 3.165 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC000736705988 1442477552 /nfs/dbraw/zinc/47/75/52/1442477552.db2.gz RLVVLPREYVPNHF-CYBMUJFWSA-N 0 1 391.401 3.486 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000824532444 1442484118 /nfs/dbraw/zinc/48/41/18/1442484118.db2.gz UIYVKAMNLOWUAJ-OLZOCXBDSA-N 0 1 396.426 3.374 20 0 GGADMN Cc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)c(N2CCCC2)[nH+]1 ZINC000826288356 1442484498 /nfs/dbraw/zinc/48/44/98/1442484498.db2.gz CRAPHQDPUBRXIT-UHFFFAOYSA-N 0 1 386.463 3.331 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822964857 1442489173 /nfs/dbraw/zinc/48/91/73/1442489173.db2.gz RAKNTOVFVJCCRZ-OCCSQVGLSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822964857 1442489177 /nfs/dbraw/zinc/48/91/77/1442489177.db2.gz RAKNTOVFVJCCRZ-OCCSQVGLSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822964857 1442489180 /nfs/dbraw/zinc/48/91/80/1442489180.db2.gz RAKNTOVFVJCCRZ-OCCSQVGLSA-N 0 1 386.525 3.010 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000821446631 1443064302 /nfs/dbraw/zinc/06/43/02/1443064302.db2.gz BPKLCJKNSJOGTM-HUUCEWRRSA-N 0 1 385.497 3.023 20 0 GGADMN Cc1nc2c(s1)[C@H]([N@@H+](C)CCCOc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737488319 1443070556 /nfs/dbraw/zinc/07/05/56/1443070556.db2.gz PAFMFGRRLOXUDE-QGZVFWFLSA-N 0 1 384.509 3.410 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H](O)c1ccc(F)cc1 ZINC000824261568 1443071821 /nfs/dbraw/zinc/07/18/21/1443071821.db2.gz MWDUKIJUKLTGTQ-MRXNPFEDSA-N 0 1 375.473 3.259 20 0 GGADMN Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc(=O)c2c1C ZINC000826350398 1443073587 /nfs/dbraw/zinc/07/35/87/1443073587.db2.gz ULEZPVJYKYUTSX-SNVBAGLBSA-N 0 1 381.465 3.045 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000824938228 1443090132 /nfs/dbraw/zinc/09/01/32/1443090132.db2.gz UZGVWPGDRQDLPJ-KBPBESRZSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824938228 1443090137 /nfs/dbraw/zinc/09/01/37/1443090137.db2.gz UZGVWPGDRQDLPJ-KBPBESRZSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824938228 1443090142 /nfs/dbraw/zinc/09/01/42/1443090142.db2.gz UZGVWPGDRQDLPJ-KBPBESRZSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH+]2)C[C@H](C)O1 ZINC000736287097 1443092413 /nfs/dbraw/zinc/09/24/13/1443092413.db2.gz DNRWBPXDFDJWOC-BETUJISGSA-N 0 1 399.886 3.141 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824506668 1443093587 /nfs/dbraw/zinc/09/35/87/1443093587.db2.gz PNYSKJJFOLWGKA-OLZOCXBDSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506668 1443093593 /nfs/dbraw/zinc/09/35/93/1443093593.db2.gz PNYSKJJFOLWGKA-OLZOCXBDSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824506668 1443093599 /nfs/dbraw/zinc/09/35/99/1443093599.db2.gz PNYSKJJFOLWGKA-OLZOCXBDSA-N 0 1 392.529 3.053 20 0 GGADMN Cc1cccc2c(NCc3ccc(Cn4cccn4)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737408209 1443094426 /nfs/dbraw/zinc/09/44/26/1443094426.db2.gz HFHIUCVVJAJWAP-UHFFFAOYSA-N 0 1 396.458 3.002 20 0 GGADMN O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823698724 1443100569 /nfs/dbraw/zinc/10/05/69/1443100569.db2.gz QTBRPTFIRTWIND-LJQANCHMSA-N 0 1 385.418 3.091 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C12CCC2 ZINC000821360735 1443127117 /nfs/dbraw/zinc/12/71/17/1443127117.db2.gz SEDWMSQPXSITRD-HZPDHXFCSA-N 0 1 393.438 3.248 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C12CCC2 ZINC000821360735 1443127119 /nfs/dbraw/zinc/12/71/19/1443127119.db2.gz SEDWMSQPXSITRD-HZPDHXFCSA-N 0 1 393.438 3.248 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C12CCC2 ZINC000821360735 1443127121 /nfs/dbraw/zinc/12/71/21/1443127121.db2.gz SEDWMSQPXSITRD-HZPDHXFCSA-N 0 1 393.438 3.248 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826329049 1443132142 /nfs/dbraw/zinc/13/21/42/1443132142.db2.gz OOHPCVKKGLROCD-INIZCTEOSA-N 0 1 391.454 3.329 20 0 GGADMN Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000822236344 1443146632 /nfs/dbraw/zinc/14/66/32/1443146632.db2.gz UXJXEZHXCQXUPZ-QGZVFWFLSA-N 0 1 391.523 3.150 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C[C@H]2CCC[C@@H]21 ZINC000819876388 1443146699 /nfs/dbraw/zinc/14/66/99/1443146699.db2.gz GTENAQPJSWYQTJ-BZPMIXESSA-N 0 1 386.525 3.008 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000819876388 1443146706 /nfs/dbraw/zinc/14/67/06/1443146706.db2.gz GTENAQPJSWYQTJ-BZPMIXESSA-N 0 1 386.525 3.008 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000819876388 1443146710 /nfs/dbraw/zinc/14/67/10/1443146710.db2.gz GTENAQPJSWYQTJ-BZPMIXESSA-N 0 1 386.525 3.008 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cn1c(=O)sc2c1CCCC2 ZINC000735831395 1443149960 /nfs/dbraw/zinc/14/99/60/1443149960.db2.gz QCBDYALLVGSKNS-UHFFFAOYSA-N 0 1 398.536 3.084 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cn1c(=O)sc2c1CCCC2 ZINC000735831395 1443149962 /nfs/dbraw/zinc/14/99/62/1443149962.db2.gz QCBDYALLVGSKNS-UHFFFAOYSA-N 0 1 398.536 3.084 20 0 GGADMN CCc1ccc(C(C)(C)C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000821476699 1443151324 /nfs/dbraw/zinc/15/13/24/1443151324.db2.gz REVFCQVVVMSHLD-UHFFFAOYSA-N 0 1 375.480 3.144 20 0 GGADMN CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825856578 1443164830 /nfs/dbraw/zinc/16/48/30/1443164830.db2.gz XOJZJRZYLFTGDO-TZIWHRDSSA-N 0 1 376.508 3.007 20 0 GGADMN Cn1cccc1[C@@H]1CCCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822694166 1443171361 /nfs/dbraw/zinc/17/13/61/1443171361.db2.gz XTKPRDINDWVCOC-KRWDZBQOSA-N 0 1 399.886 3.024 20 0 GGADMN CC[NH+](CC)CC1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000821188986 1443184353 /nfs/dbraw/zinc/18/43/53/1443184353.db2.gz HSKIHUNAKXXJQY-UHFFFAOYSA-N 0 1 379.512 3.282 20 0 GGADMN CCC(CC)(C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)SC ZINC000825089664 1443185042 /nfs/dbraw/zinc/18/50/42/1443185042.db2.gz KMAYZSNOHBEOOM-UHFFFAOYSA-N 0 1 385.541 3.279 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736236351 1443207381 /nfs/dbraw/zinc/20/73/81/1443207381.db2.gz ROTOFLAAGWZBCA-HOCLYGCPSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236351 1443207383 /nfs/dbraw/zinc/20/73/83/1443207383.db2.gz ROTOFLAAGWZBCA-HOCLYGCPSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236351 1443207385 /nfs/dbraw/zinc/20/73/85/1443207385.db2.gz ROTOFLAAGWZBCA-HOCLYGCPSA-N 0 1 394.454 3.212 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000826183545 1443211098 /nfs/dbraw/zinc/21/10/98/1443211098.db2.gz SEHNADUQSPMHQB-HNNXBMFYSA-N 0 1 390.447 3.396 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582626 1443214975 /nfs/dbraw/zinc/21/49/75/1443214975.db2.gz MDTKEPGJUPGOJC-ROUUACIJSA-N 0 1 395.511 3.074 20 0 GGADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582626 1443214979 /nfs/dbraw/zinc/21/49/79/1443214979.db2.gz MDTKEPGJUPGOJC-ROUUACIJSA-N 0 1 395.511 3.074 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582626 1443214982 /nfs/dbraw/zinc/21/49/82/1443214982.db2.gz MDTKEPGJUPGOJC-ROUUACIJSA-N 0 1 395.511 3.074 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000824324556 1443231182 /nfs/dbraw/zinc/23/11/82/1443231182.db2.gz PPRWNMZFVHECCP-UHFFFAOYSA-N 0 1 396.495 3.206 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826028936 1443239930 /nfs/dbraw/zinc/23/99/30/1443239930.db2.gz KVTUNFDZJSUPDI-CZUORRHYSA-N 0 1 390.278 3.426 20 0 GGADMN C[NH+](C)[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccc(F)cc1 ZINC000821581558 1443255207 /nfs/dbraw/zinc/25/52/07/1443255207.db2.gz OSZCYMULEUTUSK-LJQANCHMSA-N 0 1 377.427 3.269 20 0 GGADMN Fc1ccccc1[C@H]1CC[N@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822791254 1443255520 /nfs/dbraw/zinc/25/55/20/1443255520.db2.gz GLEMKEPFIVFMNW-HNNXBMFYSA-N 0 1 391.410 3.045 20 0 GGADMN Fc1ccccc1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822791254 1443255524 /nfs/dbraw/zinc/25/55/24/1443255524.db2.gz GLEMKEPFIVFMNW-HNNXBMFYSA-N 0 1 391.410 3.045 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C(C)(C)C1 ZINC000820759475 1443264565 /nfs/dbraw/zinc/26/45/65/1443264565.db2.gz KWQUPKJULQSRSO-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C(C)(C)C1 ZINC000820759475 1443264569 /nfs/dbraw/zinc/26/45/69/1443264569.db2.gz KWQUPKJULQSRSO-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C(C)(C)C1 ZINC000820759475 1443264573 /nfs/dbraw/zinc/26/45/73/1443264573.db2.gz KWQUPKJULQSRSO-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000736198066 1443265744 /nfs/dbraw/zinc/26/57/44/1443265744.db2.gz QEEFGGWGVYABBL-CQSZACIVSA-N 0 1 386.500 3.259 20 0 GGADMN CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000825416845 1443267144 /nfs/dbraw/zinc/26/71/44/1443267144.db2.gz MWBYHXWNUREJQY-LJQANCHMSA-N 0 1 377.496 3.275 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736056207 1443267663 /nfs/dbraw/zinc/26/76/63/1443267663.db2.gz LGDDPIWMDWAWKO-CYBMUJFWSA-N 0 1 384.871 3.022 20 0 GGADMN c1sc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826521808 1443267839 /nfs/dbraw/zinc/26/78/39/1443267839.db2.gz ZFOZMZNKNYZBAM-PXNSSMCTSA-N 0 1 394.548 3.415 20 0 GGADMN CCOc1cc(CCC[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1OC ZINC000821394523 1443276327 /nfs/dbraw/zinc/27/63/27/1443276327.db2.gz LBZUEHWPPSCYJG-UHFFFAOYSA-N 0 1 397.479 3.005 20 0 GGADMN O[C@H](C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672675 1443315622 /nfs/dbraw/zinc/31/56/22/1443315622.db2.gz FWTSTIPXXKTKDI-OAQYLSRUSA-N 0 1 388.475 3.261 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cc(F)ccc1F ZINC000736130674 1443315640 /nfs/dbraw/zinc/31/56/40/1443315640.db2.gz HZUXHRPENISXKD-ZDUSSCGKSA-N 0 1 384.434 3.465 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C[NH+]2CCCC2)CC1 ZINC000822333108 1443328650 /nfs/dbraw/zinc/32/86/50/1443328650.db2.gz WRSAUMXFLQJSQY-UHFFFAOYSA-N 0 1 377.496 3.036 20 0 GGADMN Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000826288753 1443360297 /nfs/dbraw/zinc/36/02/97/1443360297.db2.gz VFILELPCOLASJK-UHFFFAOYSA-N 0 1 378.480 3.358 20 0 GGADMN CCCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000825342132 1443364264 /nfs/dbraw/zinc/36/42/64/1443364264.db2.gz NNPGJGUTLVPFLU-FQEVSTJZSA-N 0 1 379.464 3.229 20 0 GGADMN CCCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000825342132 1443364267 /nfs/dbraw/zinc/36/42/67/1443364267.db2.gz NNPGJGUTLVPFLU-FQEVSTJZSA-N 0 1 379.464 3.229 20 0 GGADMN O=C(CC[NH2+][C@@H](c1ccccc1)C1CCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737846081 1443380727 /nfs/dbraw/zinc/38/07/27/1443380727.db2.gz FBGFPUVYCQFBLE-FQEVSTJZSA-N 0 1 376.464 3.326 20 0 GGADMN CCC(C)(C)[N@@H+](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736314291 1443382367 /nfs/dbraw/zinc/38/23/67/1443382367.db2.gz MBRYERPXKGLXIF-UHFFFAOYSA-N 0 1 376.530 3.256 20 0 GGADMN C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627594 1443384496 /nfs/dbraw/zinc/38/44/96/1443384496.db2.gz ZLNGEDZBGWGIBJ-NSHDSACASA-N 0 1 398.268 3.128 20 0 GGADMN Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826295868 1443385364 /nfs/dbraw/zinc/38/53/64/1443385364.db2.gz BHSFPZBYBJCQHZ-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN CSc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826230855 1443393790 /nfs/dbraw/zinc/39/37/90/1443393790.db2.gz MHURQDVCOZNQPU-UHFFFAOYSA-N 0 1 396.520 3.463 20 0 GGADMN C[C@@H]([N@@H+](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1(C)CC1 ZINC000820308424 1443397621 /nfs/dbraw/zinc/39/76/21/1443397621.db2.gz URHREIXBHSUNBA-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000826519720 1443398392 /nfs/dbraw/zinc/39/83/92/1443398392.db2.gz LDMHKCVBVVHQPN-OAGGEKHMSA-N 0 1 393.607 3.069 20 0 GGADMN COCCC(C)(C)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821685904 1443399711 /nfs/dbraw/zinc/39/97/11/1443399711.db2.gz UNLYOANGHMFSQC-UHFFFAOYSA-N 0 1 381.480 3.350 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825945928 1443403243 /nfs/dbraw/zinc/40/32/43/1443403243.db2.gz BGXXFVMGBUUROA-UHFFFAOYSA-N 0 1 378.299 3.365 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824545823 1443404392 /nfs/dbraw/zinc/40/43/92/1443404392.db2.gz DTFKROMWGPNCHV-ZBEGNZNMSA-N 0 1 375.436 3.177 20 0 GGADMN CC(C)[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735858902 1443407234 /nfs/dbraw/zinc/40/72/34/1443407234.db2.gz KITHUFHXJRWEDN-UHFFFAOYSA-N 0 1 384.528 3.164 20 0 GGADMN CC(C)[N@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735858902 1443407238 /nfs/dbraw/zinc/40/72/38/1443407238.db2.gz KITHUFHXJRWEDN-UHFFFAOYSA-N 0 1 384.528 3.164 20 0 GGADMN CC(C)[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735858902 1443407239 /nfs/dbraw/zinc/40/72/39/1443407239.db2.gz KITHUFHXJRWEDN-UHFFFAOYSA-N 0 1 384.528 3.164 20 0 GGADMN C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585312 1443411013 /nfs/dbraw/zinc/41/10/13/1443411013.db2.gz PTDHLFPKCGISGA-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H](CNc3c(-c4nn[n-]n4)cnc4ccccc43)C2)cc1 ZINC000823779885 1443417151 /nfs/dbraw/zinc/41/71/51/1443417151.db2.gz KGYZRGGKRSQFDF-SFHVURJKSA-N 0 1 399.502 3.161 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H](CNc3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823779885 1443417154 /nfs/dbraw/zinc/41/71/54/1443417154.db2.gz KGYZRGGKRSQFDF-SFHVURJKSA-N 0 1 399.502 3.161 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H](CNc3c(-c4nnn[n-]4)cnc4ccccc43)C2)cc1 ZINC000823779885 1443417157 /nfs/dbraw/zinc/41/71/57/1443417157.db2.gz KGYZRGGKRSQFDF-SFHVURJKSA-N 0 1 399.502 3.161 20 0 GGADMN C[C@@H]1COCCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825006498 1443419223 /nfs/dbraw/zinc/41/92/23/1443419223.db2.gz KDMHEZYJSFYHDG-MRXNPFEDSA-N 0 1 379.464 3.057 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000822195314 1443422135 /nfs/dbraw/zinc/42/21/35/1443422135.db2.gz OHWAAOSBPVVSHE-MRXNPFEDSA-N 0 1 385.475 3.144 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000824584573 1443423904 /nfs/dbraw/zinc/42/39/04/1443423904.db2.gz CALDFDMZHRIDNQ-LLVKDONJSA-N 0 1 388.834 3.339 20 0 GGADMN COc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000821813426 1443424397 /nfs/dbraw/zinc/42/43/97/1443424397.db2.gz GFQMMXKKQHAHBO-NRFANRHFSA-N 0 1 393.491 3.449 20 0 GGADMN Cc1c(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cnn1CC(C)C ZINC000826242568 1443433423 /nfs/dbraw/zinc/43/34/23/1443433423.db2.gz UURGTAIHEYFHHU-UHFFFAOYSA-N 0 1 394.527 3.104 20 0 GGADMN Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826314497 1443439961 /nfs/dbraw/zinc/43/99/61/1443439961.db2.gz ZVIKRIOGTWDFRU-OAHLLOKOSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccnc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826314497 1443439964 /nfs/dbraw/zinc/43/99/64/1443439964.db2.gz ZVIKRIOGTWDFRU-OAHLLOKOSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826314497 1443439966 /nfs/dbraw/zinc/43/99/66/1443439966.db2.gz ZVIKRIOGTWDFRU-OAHLLOKOSA-N 0 1 377.496 3.414 20 0 GGADMN CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825653722 1443441997 /nfs/dbraw/zinc/44/19/97/1443441997.db2.gz IMSFDHICDGAAKQ-QGZVFWFLSA-N 0 1 395.463 3.293 20 0 GGADMN CC(C)[NH+]1CCN(c2cccc(NCc3ccc(-c4nnn[n-]4)cc3F)c2)CC1 ZINC000824300725 1443442005 /nfs/dbraw/zinc/44/20/05/1443442005.db2.gz JXAPOFQPPCRHOL-UHFFFAOYSA-N 0 1 395.486 3.148 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](O)c2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000737242571 1443444013 /nfs/dbraw/zinc/44/40/13/1443444013.db2.gz WYZWJSYJDNVXDO-ZDUSSCGKSA-N 0 1 379.251 3.331 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000825621412 1443451412 /nfs/dbraw/zinc/45/14/12/1443451412.db2.gz SLJRWTZJEUJIOY-UHFFFAOYSA-N 0 1 385.493 3.284 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000825621412 1443451413 /nfs/dbraw/zinc/45/14/13/1443451413.db2.gz SLJRWTZJEUJIOY-UHFFFAOYSA-N 0 1 385.493 3.284 20 0 GGADMN CCc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000825704864 1443451826 /nfs/dbraw/zinc/45/18/26/1443451826.db2.gz OPZSXMCCNWKTHM-QGZVFWFLSA-N 0 1 377.452 3.397 20 0 GGADMN CCc1ccc([C@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000825704864 1443451828 /nfs/dbraw/zinc/45/18/28/1443451828.db2.gz OPZSXMCCNWKTHM-QGZVFWFLSA-N 0 1 377.452 3.397 20 0 GGADMN CCOc1cccc(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)c1OC(F)F ZINC000821431110 1443461540 /nfs/dbraw/zinc/46/15/40/1443461540.db2.gz MMIMLYDIYGJXMD-UHFFFAOYSA-N 0 1 390.394 3.491 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000826277124 1443465582 /nfs/dbraw/zinc/46/55/82/1443465582.db2.gz KFKGJQYWWPMVDN-OAHLLOKOSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000826277124 1443465584 /nfs/dbraw/zinc/46/55/84/1443465584.db2.gz KFKGJQYWWPMVDN-OAHLLOKOSA-N 0 1 377.496 3.414 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000826277124 1443465587 /nfs/dbraw/zinc/46/55/87/1443465587.db2.gz KFKGJQYWWPMVDN-OAHLLOKOSA-N 0 1 377.496 3.414 20 0 GGADMN CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736571051 1443466829 /nfs/dbraw/zinc/46/68/29/1443466829.db2.gz OXZPTWGVKIMKKF-IBGZPJMESA-N 0 1 392.463 3.472 20 0 GGADMN CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736571051 1443466835 /nfs/dbraw/zinc/46/68/35/1443466835.db2.gz OXZPTWGVKIMKKF-IBGZPJMESA-N 0 1 392.463 3.472 20 0 GGADMN O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CC[NH+](C2CCCC2)CC1 ZINC000823318336 1443473057 /nfs/dbraw/zinc/47/30/57/1443473057.db2.gz CITMJHIFYHHKPF-UHFFFAOYSA-N 0 1 389.891 3.049 20 0 GGADMN CCC(CC)(CO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825089904 1443490751 /nfs/dbraw/zinc/49/07/51/1443490751.db2.gz OSIUMOLNJMOOIV-UHFFFAOYSA-N 0 1 395.507 3.334 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000824545817 1443499381 /nfs/dbraw/zinc/49/93/81/1443499381.db2.gz DTFKROMWGPNCHV-BDJLRTHQSA-N 0 1 375.436 3.177 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824617172 1443501500 /nfs/dbraw/zinc/50/15/00/1443501500.db2.gz DZGQTCIQMDYXIN-YOEHRIQHSA-N 0 1 386.500 3.134 20 0 GGADMN Cc1cc(C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n(-c2ccccc2)n1 ZINC000822199720 1443501771 /nfs/dbraw/zinc/50/17/71/1443501771.db2.gz FQFPGDWGIIJEBN-ZDUSSCGKSA-N 0 1 379.493 3.143 20 0 GGADMN Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822169074 1443504954 /nfs/dbraw/zinc/50/49/54/1443504954.db2.gz YGISXZUBOBGPAV-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN CC[C@@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351493 1443514516 /nfs/dbraw/zinc/51/45/16/1443514516.db2.gz QIACMBSYYFVTMK-IBGZPJMESA-N 0 1 398.555 3.363 20 0 GGADMN O=C(CC[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737843136 1443518689 /nfs/dbraw/zinc/51/86/89/1443518689.db2.gz HOBFQAZOJRCEOR-QGZVFWFLSA-N 0 1 380.452 3.406 20 0 GGADMN C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000736232533 1443531626 /nfs/dbraw/zinc/53/16/26/1443531626.db2.gz ZCKVNPHXFBBFKL-DYESRHJHSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232533 1443531629 /nfs/dbraw/zinc/53/16/29/1443531629.db2.gz ZCKVNPHXFBBFKL-DYESRHJHSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232533 1443531631 /nfs/dbraw/zinc/53/16/31/1443531631.db2.gz ZCKVNPHXFBBFKL-DYESRHJHSA-N 0 1 376.508 3.352 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@@H](c4ccnn4C)C3)c2c1 ZINC000822195397 1443533116 /nfs/dbraw/zinc/53/31/16/1443533116.db2.gz QPNCBVFWMSBQRX-OAHLLOKOSA-N 0 1 388.479 3.149 20 0 GGADMN Cc1cccc([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295889 1443539166 /nfs/dbraw/zinc/53/91/66/1443539166.db2.gz BUXLQQJTJGIZCA-MRXNPFEDSA-N 0 1 387.491 3.469 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000737638273 1443543267 /nfs/dbraw/zinc/54/32/67/1443543267.db2.gz FNOTVWNZLMTLQJ-GFCCVEGCSA-N 0 1 395.364 3.127 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1C ZINC000826341270 1443544347 /nfs/dbraw/zinc/54/43/47/1443544347.db2.gz BWPQGWOAYHTADL-NXEZZACHSA-N 0 1 390.394 3.033 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736390765 1443558894 /nfs/dbraw/zinc/55/88/94/1443558894.db2.gz KCKWZSXFOSSZER-SFHVURJKSA-N 0 1 384.434 3.418 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293161 1443563612 /nfs/dbraw/zinc/56/36/12/1443563612.db2.gz NOLHGSSDVPXVLQ-GQIGUUNPSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293161 1443563616 /nfs/dbraw/zinc/56/36/16/1443563616.db2.gz NOLHGSSDVPXVLQ-GQIGUUNPSA-N 0 1 379.464 3.096 20 0 GGADMN Clc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737573510 1443568643 /nfs/dbraw/zinc/56/86/43/1443568643.db2.gz IUDGLDWVEZDFTG-SFHVURJKSA-N 0 1 384.871 3.006 20 0 GGADMN C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585129 1443572435 /nfs/dbraw/zinc/57/24/35/1443572435.db2.gz ODKNFZVLIKRWSU-ZFWWWQNUSA-N 0 1 375.448 3.122 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1cccs1 ZINC000821623599 1443573076 /nfs/dbraw/zinc/57/30/76/1443573076.db2.gz NYTHUXFGNMBCHK-ZBEGNZNMSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623599 1443573080 /nfs/dbraw/zinc/57/30/80/1443573080.db2.gz NYTHUXFGNMBCHK-ZBEGNZNMSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623599 1443573084 /nfs/dbraw/zinc/57/30/84/1443573084.db2.gz NYTHUXFGNMBCHK-ZBEGNZNMSA-N 0 1 389.916 3.472 20 0 GGADMN O=C1[C@@H]([N@H+]2CCC[C@H]2c2cccs2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476977 1443574166 /nfs/dbraw/zinc/57/41/66/1443574166.db2.gz SRDMZCQKBNNBJN-IRXDYDNUSA-N 0 1 394.504 3.261 20 0 GGADMN C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820570709 1443584359 /nfs/dbraw/zinc/58/43/59/1443584359.db2.gz PMAQJSYYGSHTDV-OAHLLOKOSA-N 0 1 395.511 3.031 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@H](O)c3ccccc3Cl)c2c1 ZINC000822194964 1443606361 /nfs/dbraw/zinc/60/63/61/1443606361.db2.gz BPJLMGMPLLLDPZ-KRWDZBQOSA-N 0 1 394.866 3.253 20 0 GGADMN COc1cccc([C@H](CNc2cc(-c3nnn[n-]3)nc3ccccc32)[NH+](C)C)c1 ZINC000737126613 1443618643 /nfs/dbraw/zinc/61/86/43/1443618643.db2.gz NWVCXOSJQBIKFS-FQEVSTJZSA-N 0 1 389.463 3.138 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826202047 1443623299 /nfs/dbraw/zinc/62/32/99/1443623299.db2.gz MRGJENMOLSDJEL-XIKOKIGWSA-N 0 1 387.871 3.395 20 0 GGADMN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825658889 1443623751 /nfs/dbraw/zinc/62/37/51/1443623751.db2.gz LHOUPUWGLIRZHW-GJZGRUSLSA-N 0 1 399.520 3.008 20 0 GGADMN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825399577 1443643435 /nfs/dbraw/zinc/64/34/35/1443643435.db2.gz YGZYGUAFNVVDDX-INIZCTEOSA-N 0 1 392.507 3.270 20 0 GGADMN c1cn(CCCC2CC[NH+](CCCOc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000826525036 1443648524 /nfs/dbraw/zinc/64/85/24/1443648524.db2.gz TWVCTWBXCUDJFS-UHFFFAOYSA-N 0 1 395.511 3.025 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824568713 1443649090 /nfs/dbraw/zinc/64/90/90/1443649090.db2.gz CIYDUNSCIWQAID-PXAZEXFGSA-N 0 1 391.397 3.140 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1Cc2ccccc2[C@H](C)C1 ZINC000736291322 1443652057 /nfs/dbraw/zinc/65/20/57/1443652057.db2.gz LTBLMNAMNJXHQX-OLZOCXBDSA-N 0 1 396.882 3.466 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000736291322 1443652061 /nfs/dbraw/zinc/65/20/61/1443652061.db2.gz LTBLMNAMNJXHQX-OLZOCXBDSA-N 0 1 396.882 3.466 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000736291322 1443652066 /nfs/dbraw/zinc/65/20/66/1443652066.db2.gz LTBLMNAMNJXHQX-OLZOCXBDSA-N 0 1 396.882 3.466 20 0 GGADMN CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c2ccccc21 ZINC000823975340 1443660801 /nfs/dbraw/zinc/66/08/01/1443660801.db2.gz XCJQOZKHKACFOO-WOJBJXKFSA-N 0 1 388.475 3.332 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554544 1443669057 /nfs/dbraw/zinc/66/90/57/1443669057.db2.gz QHJMNWGTHNJYKJ-GXTWGEPZSA-N 0 1 383.475 3.165 20 0 GGADMN CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825856577 1443676479 /nfs/dbraw/zinc/67/64/79/1443676479.db2.gz XOJZJRZYLFTGDO-PZJWPPBQSA-N 0 1 376.508 3.007 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)CC1 ZINC000735628649 1443682882 /nfs/dbraw/zinc/68/28/82/1443682882.db2.gz WFJOLWBONUFZLL-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccc2-c2nn[n-]n2)C2CC2)CC1 ZINC000735628649 1443682885 /nfs/dbraw/zinc/68/28/85/1443682885.db2.gz WFJOLWBONUFZLL-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccc2-c2nn[n-]n2)C2CC2)CC1 ZINC000735628649 1443682888 /nfs/dbraw/zinc/68/28/88/1443682888.db2.gz WFJOLWBONUFZLL-UHFFFAOYSA-N 0 1 398.511 3.231 20 0 GGADMN C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2ccccc2C1 ZINC000824571680 1443684381 /nfs/dbraw/zinc/68/43/81/1443684381.db2.gz QXEYHQXMVRREHT-HUUCEWRRSA-N 0 1 380.471 3.103 20 0 GGADMN CC[C@H](C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F)N1CCc2ccccc2C1 ZINC000825120137 1443685287 /nfs/dbraw/zinc/68/52/87/1443685287.db2.gz HYMUXZFBPMQYEW-DNVCBOLYSA-N 0 1 394.498 3.493 20 0 GGADMN FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000826367162 1443687633 /nfs/dbraw/zinc/68/76/33/1443687633.db2.gz OHTNCRFQKLWHPG-RKDXNWHRSA-N 0 1 385.337 3.491 20 0 GGADMN C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584809 1443689693 /nfs/dbraw/zinc/68/96/93/1443689693.db2.gz HTMJKJVYOBRDGE-CQSZACIVSA-N 0 1 394.454 3.026 20 0 GGADMN COc1cccc(C=C2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)CC2)c1 ZINC000821864401 1443710675 /nfs/dbraw/zinc/71/06/75/1443710675.db2.gz YQFKBNZPNIIMKZ-UHFFFAOYSA-N 0 1 388.475 3.443 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000824974771 1443715607 /nfs/dbraw/zinc/71/56/07/1443715607.db2.gz FRNORSSIYAXJFE-NEPJUHHUSA-N 0 1 388.541 3.112 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826503385 1443717265 /nfs/dbraw/zinc/71/72/65/1443717265.db2.gz WOTJKWNCEPZZFF-IEBWSBKVSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826503385 1443717267 /nfs/dbraw/zinc/71/72/67/1443717267.db2.gz WOTJKWNCEPZZFF-IEBWSBKVSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826503385 1443717270 /nfs/dbraw/zinc/71/72/70/1443717270.db2.gz WOTJKWNCEPZZFF-IEBWSBKVSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000826506384 1443717625 /nfs/dbraw/zinc/71/76/25/1443717625.db2.gz TZWYHQSRAIVEJU-HIFRSBDPSA-N 0 1 395.410 3.255 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000822195233 1443717930 /nfs/dbraw/zinc/71/79/30/1443717930.db2.gz KYGCSJRBXTWDHF-KRWDZBQOSA-N 0 1 391.523 3.486 20 0 GGADMN Fc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826373945 1443726131 /nfs/dbraw/zinc/72/61/31/1443726131.db2.gz GLFFPBKCJAGUFH-SFHVURJKSA-N 0 1 391.454 3.251 20 0 GGADMN Fc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826373945 1443726133 /nfs/dbraw/zinc/72/61/33/1443726133.db2.gz GLFFPBKCJAGUFH-SFHVURJKSA-N 0 1 391.454 3.251 20 0 GGADMN Fc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826373945 1443726136 /nfs/dbraw/zinc/72/61/36/1443726136.db2.gz GLFFPBKCJAGUFH-SFHVURJKSA-N 0 1 391.454 3.251 20 0 GGADMN COc1ccc(C[C@H](C)[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826191729 1443726760 /nfs/dbraw/zinc/72/67/60/1443726760.db2.gz OJPKBTCKQBSQPP-LIRRHRJNSA-N 0 1 393.491 3.482 20 0 GGADMN CCOC[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000825590068 1443750005 /nfs/dbraw/zinc/75/00/05/1443750005.db2.gz ONUMQGBAROWXQE-LJQANCHMSA-N 0 1 393.491 3.304 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736292229 1443758374 /nfs/dbraw/zinc/75/83/74/1443758374.db2.gz IQPTZDFGHQOSTQ-ZOCZFRKYSA-N 0 1 388.475 3.470 20 0 GGADMN C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000736199883 1443758432 /nfs/dbraw/zinc/75/84/32/1443758432.db2.gz BNFWNSVNSXWITJ-HNNXBMFYSA-N 0 1 389.507 3.388 20 0 GGADMN CCCC(=O)Nc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1 ZINC000821008327 1443769583 /nfs/dbraw/zinc/76/95/83/1443769583.db2.gz JIGBQTFKNUWPKH-UHFFFAOYSA-N 0 1 387.447 3.188 20 0 GGADMN C[C@H](C1CC1)[N@@H+](CC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000824377841 1443771481 /nfs/dbraw/zinc/77/14/81/1443771481.db2.gz PCUZVHFZTQYNRU-CYBMUJFWSA-N 0 1 382.493 3.167 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC000825856613 1443772044 /nfs/dbraw/zinc/77/20/44/1443772044.db2.gz YRQOJYNIAJJDDO-UHFFFAOYSA-N 0 1 383.525 3.071 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736798408 1443772865 /nfs/dbraw/zinc/77/28/65/1443772865.db2.gz YXEMBBCCKKPKLQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000737075688 1443779630 /nfs/dbraw/zinc/77/96/30/1443779630.db2.gz LOECZQXIIQWMSI-SFHVURJKSA-N 0 1 383.427 3.360 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736214890 1443781857 /nfs/dbraw/zinc/78/18/57/1443781857.db2.gz WFNGOOWJOTYMFS-LJQANCHMSA-N 0 1 379.464 3.098 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736214890 1443781859 /nfs/dbraw/zinc/78/18/59/1443781859.db2.gz WFNGOOWJOTYMFS-LJQANCHMSA-N 0 1 379.464 3.098 20 0 GGADMN Cn1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000826360283 1443782771 /nfs/dbraw/zinc/78/27/71/1443782771.db2.gz DZAHSYVNWHUHGJ-UHFFFAOYSA-N 0 1 385.475 3.432 20 0 GGADMN c1nn(-c2ccccc2)c2c1CN(c1c(-c3nnn[n-]3)c[nH+]c3ccccc31)CC2 ZINC000823773555 1443785128 /nfs/dbraw/zinc/78/51/28/1443785128.db2.gz VJFOFIGAVSTVQL-UHFFFAOYSA-N 0 1 394.442 3.163 20 0 GGADMN COc1ccccc1C[N@H+](C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000821896747 1443785595 /nfs/dbraw/zinc/78/55/95/1443785595.db2.gz AKFBEPJFLWIWED-UHFFFAOYSA-N 0 1 389.463 3.001 20 0 GGADMN COc1ccccc1C[N@@H+](C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000821896747 1443785597 /nfs/dbraw/zinc/78/55/97/1443785597.db2.gz AKFBEPJFLWIWED-UHFFFAOYSA-N 0 1 389.463 3.001 20 0 GGADMN CCCC1CCC(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000825254464 1443789844 /nfs/dbraw/zinc/78/98/44/1443789844.db2.gz RWUKJAATBZBYPZ-UHFFFAOYSA-N 0 1 383.544 3.427 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000736198275 1443793504 /nfs/dbraw/zinc/79/35/04/1443793504.db2.gz RURKKQYTPXSUGJ-OAHLLOKOSA-N 0 1 391.479 3.214 20 0 GGADMN Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826281634 1443799006 /nfs/dbraw/zinc/79/90/06/1443799006.db2.gz CMFJGUWLEUEING-MRXNPFEDSA-N 0 1 390.491 3.131 20 0 GGADMN CC1(O)CCC([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000820623632 1443799988 /nfs/dbraw/zinc/79/99/88/1443799988.db2.gz VASJKIPXXIHGFJ-UHFFFAOYSA-N 0 1 393.491 3.229 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737842514 1443800208 /nfs/dbraw/zinc/80/02/08/1443800208.db2.gz CTLWNBMZRMRTNZ-MRXNPFEDSA-N 0 1 385.859 3.014 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825043707 1443802222 /nfs/dbraw/zinc/80/22/22/1443802222.db2.gz JUQWQMNKIAFHHQ-GOSISDBHSA-N 0 1 390.850 3.392 20 0 GGADMN C[C@@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655767 1443804970 /nfs/dbraw/zinc/80/49/70/1443804970.db2.gz CBIXENYDRVZSBY-GDBMZVCRSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655767 1443804973 /nfs/dbraw/zinc/80/49/73/1443804973.db2.gz CBIXENYDRVZSBY-GDBMZVCRSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655767 1443804974 /nfs/dbraw/zinc/80/49/74/1443804974.db2.gz CBIXENYDRVZSBY-GDBMZVCRSA-N 0 1 397.914 3.404 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)CCOc1ccc(F)cc1 ZINC000737407533 1443808378 /nfs/dbraw/zinc/80/83/78/1443808378.db2.gz CMXPYMAVSGYANQ-UHFFFAOYSA-N 0 1 378.411 3.378 20 0 GGADMN COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)C2)c1 ZINC000826216835 1443814750 /nfs/dbraw/zinc/81/47/50/1443814750.db2.gz PPZGYXUYSTUAFW-GDBMZVCRSA-N 0 1 396.470 3.334 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000821804972 1443815665 /nfs/dbraw/zinc/81/56/65/1443815665.db2.gz RTDGWSFACNQRBD-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000826168963 1443825117 /nfs/dbraw/zinc/82/51/17/1443825117.db2.gz DKQUDRBAVRVVEZ-KRWDZBQOSA-N 0 1 395.438 3.109 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000826168963 1443825118 /nfs/dbraw/zinc/82/51/18/1443825118.db2.gz DKQUDRBAVRVVEZ-KRWDZBQOSA-N 0 1 395.438 3.109 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000826168963 1443825120 /nfs/dbraw/zinc/82/51/20/1443825120.db2.gz DKQUDRBAVRVVEZ-KRWDZBQOSA-N 0 1 395.438 3.109 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000824899743 1443827296 /nfs/dbraw/zinc/82/72/96/1443827296.db2.gz NQRCAMIYZYTKOE-QAPCUYQASA-N 0 1 378.480 3.295 20 0 GGADMN Cc1cccc(NC[C@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)[nH+]1 ZINC000737400745 1443827473 /nfs/dbraw/zinc/82/74/73/1443827473.db2.gz YPUOARYPJHGCHY-OAHLLOKOSA-N 0 1 386.463 3.057 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822558358 1443827966 /nfs/dbraw/zinc/82/79/66/1443827966.db2.gz PBFGIDLLBQKHEH-INIZCTEOSA-N 0 1 396.520 3.493 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822558358 1443827969 /nfs/dbraw/zinc/82/79/69/1443827969.db2.gz PBFGIDLLBQKHEH-INIZCTEOSA-N 0 1 396.520 3.493 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736233006 1443830077 /nfs/dbraw/zinc/83/00/77/1443830077.db2.gz DWKNPRFGWNFITN-IJEWVQPXSA-N 0 1 394.454 3.211 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826405144 1443834878 /nfs/dbraw/zinc/83/48/78/1443834878.db2.gz WTDKITWFUKHRBP-QGZVFWFLSA-N 0 1 383.402 3.382 20 0 GGADMN COC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000826153297 1443840224 /nfs/dbraw/zinc/84/02/24/1443840224.db2.gz ILRMQZJBNXNXEG-IBGZPJMESA-N 0 1 393.491 3.304 20 0 GGADMN COC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826153297 1443840226 /nfs/dbraw/zinc/84/02/26/1443840226.db2.gz ILRMQZJBNXNXEG-IBGZPJMESA-N 0 1 393.491 3.304 20 0 GGADMN COC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000826153297 1443840230 /nfs/dbraw/zinc/84/02/30/1443840230.db2.gz ILRMQZJBNXNXEG-IBGZPJMESA-N 0 1 393.491 3.304 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538737 1443841474 /nfs/dbraw/zinc/84/14/74/1443841474.db2.gz KGRRZFGLNNBLMZ-WILYLXEWSA-N 0 1 396.882 3.143 20 0 GGADMN O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000738382971 1443843351 /nfs/dbraw/zinc/84/33/51/1443843351.db2.gz UMWBOBLJILOBSL-CTNGQTDRSA-N 0 1 393.491 3.128 20 0 GGADMN C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824546198 1443899314 /nfs/dbraw/zinc/89/93/14/1443899314.db2.gz HCUYZDZZGVRUOV-XKQJLSEDSA-N 0 1 386.500 3.211 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820703499 1443908975 /nfs/dbraw/zinc/90/89/75/1443908975.db2.gz GHCJTSVOMJFTKY-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820703499 1443908976 /nfs/dbraw/zinc/90/89/76/1443908976.db2.gz GHCJTSVOMJFTKY-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820703499 1443908979 /nfs/dbraw/zinc/90/89/79/1443908979.db2.gz GHCJTSVOMJFTKY-CQSZACIVSA-N 0 1 396.520 3.233 20 0 GGADMN CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428164 1443914126 /nfs/dbraw/zinc/91/41/26/1443914126.db2.gz DOUZVGAKAVUYKM-AWEZNQCLSA-N 0 1 397.479 3.476 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)c(-c2nnn[n-]2)c1C ZINC000826341364 1443917892 /nfs/dbraw/zinc/91/78/92/1443917892.db2.gz FYVTWAHAUYRYPN-UWVGGRQHSA-N 0 1 390.394 3.033 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)cc(Br)c1 ZINC000821609788 1443919179 /nfs/dbraw/zinc/91/91/79/1443919179.db2.gz LWHAUAMTWXPVDX-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Clc1ccc(C2([NH2+]CCOc3ccccc3-c3nn[n-]n3)CCOCC2)cc1 ZINC000737570236 1443921934 /nfs/dbraw/zinc/92/19/34/1443921934.db2.gz DQTRBBPVTPIKHW-UHFFFAOYSA-N 0 1 399.882 3.194 20 0 GGADMN CC(C)CSCCC[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824274420 1443935951 /nfs/dbraw/zinc/93/59/51/1443935951.db2.gz HSJORFNHBDYJAJ-UHFFFAOYSA-N 0 1 388.585 3.154 20 0 GGADMN CC(C)CSCCC[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824274420 1443935953 /nfs/dbraw/zinc/93/59/53/1443935953.db2.gz HSJORFNHBDYJAJ-UHFFFAOYSA-N 0 1 388.585 3.154 20 0 GGADMN CC(C)CSCCC[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824274420 1443935955 /nfs/dbraw/zinc/93/59/55/1443935955.db2.gz HSJORFNHBDYJAJ-UHFFFAOYSA-N 0 1 388.585 3.154 20 0 GGADMN CC(C)CSCCCN1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824274420 1443935958 /nfs/dbraw/zinc/93/59/58/1443935958.db2.gz HSJORFNHBDYJAJ-UHFFFAOYSA-N 0 1 388.585 3.154 20 0 GGADMN CC(C)CSCCCN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824274420 1443935959 /nfs/dbraw/zinc/93/59/59/1443935959.db2.gz HSJORFNHBDYJAJ-UHFFFAOYSA-N 0 1 388.585 3.154 20 0 GGADMN C[NH+](C)[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(F)c1 ZINC000736759552 1443942005 /nfs/dbraw/zinc/94/20/05/1443942005.db2.gz MVWLHPRQDROSCM-LJQANCHMSA-N 0 1 377.427 3.269 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618985 1443942716 /nfs/dbraw/zinc/94/27/16/1443942716.db2.gz UICOUBGVGIQCCQ-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736531415 1443950952 /nfs/dbraw/zinc/95/09/52/1443950952.db2.gz WCXRUNJRGTWAPX-UHFFFAOYSA-N 0 1 397.458 3.169 20 0 GGADMN CCCCC[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821049282 1443953941 /nfs/dbraw/zinc/95/39/41/1443953941.db2.gz JZDPXWQNOURIEK-QGZVFWFLSA-N 0 1 384.528 3.117 20 0 GGADMN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000819928757 1443961268 /nfs/dbraw/zinc/96/12/68/1443961268.db2.gz WMNJVXWZFKQHFF-OAHLLOKOSA-N 0 1 396.495 3.063 20 0 GGADMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000819928757 1443961270 /nfs/dbraw/zinc/96/12/70/1443961270.db2.gz WMNJVXWZFKQHFF-OAHLLOKOSA-N 0 1 396.495 3.063 20 0 GGADMN CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000819928757 1443961274 /nfs/dbraw/zinc/96/12/74/1443961274.db2.gz WMNJVXWZFKQHFF-OAHLLOKOSA-N 0 1 396.495 3.063 20 0 GGADMN COc1cc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)c(SC)cc1OC ZINC000821717729 1443962427 /nfs/dbraw/zinc/96/24/27/1443962427.db2.gz WNZRTDXJXTWMOP-UHFFFAOYSA-N 0 1 389.456 3.035 20 0 GGADMN FC(F)(F)c1cc([C@H]2CCC[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)C2)[nH]n1 ZINC000826368414 1443963642 /nfs/dbraw/zinc/96/36/42/1443963642.db2.gz OOCODPBMQYXJBY-VIFPVBQESA-N 0 1 383.403 3.050 20 0 GGADMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824237132 1443967921 /nfs/dbraw/zinc/96/79/21/1443967921.db2.gz RCLXFNKYOMZDAU-RHSMWYFYSA-N 0 1 388.516 3.457 20 0 GGADMN C[C@H]1OCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H]1C ZINC000825021253 1443971716 /nfs/dbraw/zinc/97/17/16/1443971716.db2.gz PKWHHPJUYNGYPC-HZPDHXFCSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]1OCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H]1C ZINC000825021253 1443971723 /nfs/dbraw/zinc/97/17/23/1443971723.db2.gz PKWHHPJUYNGYPC-HZPDHXFCSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000824901217 1443971759 /nfs/dbraw/zinc/97/17/59/1443971759.db2.gz YBHGRZIFWWCDJO-SCLBCKFNSA-N 0 1 377.427 3.237 20 0 GGADMN C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625850 1443971999 /nfs/dbraw/zinc/97/19/99/1443971999.db2.gz LGRGXSLRICIAEC-NSHDSACASA-N 0 1 398.833 3.091 20 0 GGADMN C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820402450 1443974579 /nfs/dbraw/zinc/97/45/79/1443974579.db2.gz DKWOQNCWRNIJJF-UZLBHIALSA-N 0 1 390.491 3.271 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820804479 1443975282 /nfs/dbraw/zinc/97/52/82/1443975282.db2.gz SUWXHEOGZNDAJD-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820804479 1443975284 /nfs/dbraw/zinc/97/52/84/1443975284.db2.gz SUWXHEOGZNDAJD-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826202044 1443976494 /nfs/dbraw/zinc/97/64/94/1443976494.db2.gz MRGJENMOLSDJEL-KPZWWZAWSA-N 0 1 387.871 3.395 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000823359935 1443989625 /nfs/dbraw/zinc/98/96/25/1443989625.db2.gz UVTHGDWUZIQIOE-UHFFFAOYSA-N 0 1 382.512 3.488 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000823675535 1444005318 /nfs/dbraw/zinc/00/53/18/1444005318.db2.gz XFOKRPRQTBMBEG-MJGOQNOKSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1CCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675535 1444005322 /nfs/dbraw/zinc/00/53/22/1444005322.db2.gz XFOKRPRQTBMBEG-MJGOQNOKSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CCOc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675535 1444005324 /nfs/dbraw/zinc/00/53/24/1444005324.db2.gz XFOKRPRQTBMBEG-MJGOQNOKSA-N 0 1 397.479 3.207 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000826371565 1444013402 /nfs/dbraw/zinc/01/34/02/1444013402.db2.gz LHFSVCGYYOSVQU-SFHLNBCPSA-N 0 1 392.482 3.006 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000826371565 1444013406 /nfs/dbraw/zinc/01/34/06/1444013406.db2.gz LHFSVCGYYOSVQU-SFHLNBCPSA-N 0 1 392.482 3.006 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000826371565 1444013410 /nfs/dbraw/zinc/01/34/10/1444013410.db2.gz LHFSVCGYYOSVQU-SFHLNBCPSA-N 0 1 392.482 3.006 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)cc1-c1nnn[n-]1 ZINC000826179757 1444015602 /nfs/dbraw/zinc/01/56/02/1444015602.db2.gz CUOOGBZGSDRWJY-UHFFFAOYSA-N 0 1 394.262 3.481 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001139850561 1444017642 /nfs/dbraw/zinc/01/76/42/1444017642.db2.gz FFKJLLVMLLOLHB-NRFANRHFSA-N 0 1 398.511 3.232 20 0 GGADMN COc1cc(F)ccc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826180647 1446080807 /nfs/dbraw/zinc/08/08/07/1446080807.db2.gz QXVLMOFYWYHFHZ-UHFFFAOYSA-N 0 1 382.443 3.091 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000737031884 1446081490 /nfs/dbraw/zinc/08/14/90/1446081490.db2.gz FONAPEXWXOJFMG-LJQANCHMSA-N 0 1 397.504 3.044 20 0 GGADMN FC(F)(F)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000822727968 1446082205 /nfs/dbraw/zinc/08/22/05/1446082205.db2.gz CYTRJOHQFBAHOX-UHFFFAOYSA-N 0 1 389.385 3.493 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824764903 1446083590 /nfs/dbraw/zinc/08/35/90/1446083590.db2.gz ZRDKVHVAJLHNCO-GFCCVEGCSA-N 0 1 390.463 3.085 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000737075445 1446101692 /nfs/dbraw/zinc/10/16/92/1446101692.db2.gz JXIFUZHWQRUKQH-SFHVURJKSA-N 0 1 395.463 3.100 20 0 GGADMN CCCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821060668 1446104080 /nfs/dbraw/zinc/10/40/80/1446104080.db2.gz HWAVHSGKXCAHPV-UHFFFAOYSA-N 0 1 390.557 3.480 20 0 GGADMN CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736534067 1446108959 /nfs/dbraw/zinc/10/89/59/1446108959.db2.gz LHSPRGPVAZXOMP-HNNXBMFYSA-N 0 1 393.495 3.070 20 0 GGADMN Cc1oc(NC(=O)CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547721 1446109254 /nfs/dbraw/zinc/10/92/54/1446109254.db2.gz BZMCHPZJICMZAG-ZBEGNZNMSA-N 0 1 398.442 3.237 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547721 1446109255 /nfs/dbraw/zinc/10/92/55/1446109255.db2.gz BZMCHPZJICMZAG-ZBEGNZNMSA-N 0 1 398.442 3.237 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547721 1446109256 /nfs/dbraw/zinc/10/92/56/1446109256.db2.gz BZMCHPZJICMZAG-ZBEGNZNMSA-N 0 1 398.442 3.237 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000824564132 1446112228 /nfs/dbraw/zinc/11/22/28/1446112228.db2.gz SAYWWHLLYMSYDN-SNVBAGLBSA-N 0 1 391.262 3.463 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668631 1446113841 /nfs/dbraw/zinc/11/38/41/1446113841.db2.gz VRKWBFKZHJBOPJ-UGSOOPFHSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668631 1446113847 /nfs/dbraw/zinc/11/38/47/1446113847.db2.gz VRKWBFKZHJBOPJ-UGSOOPFHSA-N 0 1 380.427 3.027 20 0 GGADMN CC(C)c1nc([C@@H]2CCC[N@@H+](CCCOc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000820202471 1446119516 /nfs/dbraw/zinc/11/95/16/1446119516.db2.gz IHZZZQJBTPPNKX-MRXNPFEDSA-N 0 1 397.483 3.022 20 0 GGADMN CC(C)c1nc([C@@H]2CCC[N@H+](CCCOc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000820202471 1446119519 /nfs/dbraw/zinc/11/95/19/1446119519.db2.gz IHZZZQJBTPPNKX-MRXNPFEDSA-N 0 1 397.483 3.022 20 0 GGADMN CC(C)c1nc([C@@H]2CCC[N@@H+](CCCOc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000820202471 1446119522 /nfs/dbraw/zinc/11/95/22/1446119522.db2.gz IHZZZQJBTPPNKX-MRXNPFEDSA-N 0 1 397.483 3.022 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@@H](CCO)c1ccccc1 ZINC000821609957 1446146128 /nfs/dbraw/zinc/14/61/28/1446146128.db2.gz SUQJYUMBBDZNOM-INIZCTEOSA-N 0 1 389.406 3.024 20 0 GGADMN COc1ccc([C@@H](CNc2nc(-c3nn[n-]n3)ccc2C)[NH+]2CCCCC2)cc1 ZINC000826188729 1446147810 /nfs/dbraw/zinc/14/78/10/1446147810.db2.gz DTKMCGORKMOOEO-LJQANCHMSA-N 0 1 393.495 3.218 20 0 GGADMN CC(C)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297601 1446150846 /nfs/dbraw/zinc/15/08/46/1446150846.db2.gz XMFKQKYXBHFGBQ-WOJBJXKFSA-N 0 1 398.461 3.459 20 0 GGADMN C[C@H](C[N@@H+](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000824412982 1446155309 /nfs/dbraw/zinc/15/53/09/1446155309.db2.gz IBTYRCYSUUDCIU-UZLBHIALSA-N 0 1 390.491 3.098 20 0 GGADMN C[C@@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(OCc2ccccn2)c1 ZINC000824624652 1446155412 /nfs/dbraw/zinc/15/54/12/1446155412.db2.gz AYMYKOLHSKREDB-OAHLLOKOSA-N 0 1 387.447 3.087 20 0 GGADMN C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825860544 1446164481 /nfs/dbraw/zinc/16/44/81/1446164481.db2.gz QZLUUCPHFMZSEE-UHFFFAOYSA-N 0 1 391.907 3.106 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826216247 1446172533 /nfs/dbraw/zinc/17/25/33/1446172533.db2.gz QBPBJFQPQQFPKI-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826216247 1446172537 /nfs/dbraw/zinc/17/25/37/1446172537.db2.gz QBPBJFQPQQFPKI-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826216247 1446172539 /nfs/dbraw/zinc/17/25/39/1446172539.db2.gz QBPBJFQPQQFPKI-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1OC ZINC000821777458 1446184651 /nfs/dbraw/zinc/18/46/51/1446184651.db2.gz FSYVHTNDWXDHHL-CQSZACIVSA-N 0 1 399.520 3.468 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(NC(N)=O)cc1 ZINC000824547040 1446195616 /nfs/dbraw/zinc/19/56/16/1446195616.db2.gz MJEMKMINIXSWNX-KPZWWZAWSA-N 0 1 377.452 3.086 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820684439 1446201708 /nfs/dbraw/zinc/20/17/08/1446201708.db2.gz PUNBMIPMZBFRNG-GASCZTMLSA-N 0 1 392.463 3.470 20 0 GGADMN c1ccc2c(c1)CC[C@H]2C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826523245 1446212866 /nfs/dbraw/zinc/21/28/66/1446212866.db2.gz GMNMUKZLGUSHEJ-FQEVSTJZSA-N 0 1 388.519 3.151 20 0 GGADMN C[C@H]1CC([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000824894345 1446213916 /nfs/dbraw/zinc/21/39/16/1446213916.db2.gz YPYYJOBDZJGQCG-HOTGVXAUSA-N 0 1 393.491 3.491 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736236347 1446224560 /nfs/dbraw/zinc/22/45/60/1446224560.db2.gz ROTOFLAAGWZBCA-GDBMZVCRSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236347 1446224564 /nfs/dbraw/zinc/22/45/64/1446224564.db2.gz ROTOFLAAGWZBCA-GDBMZVCRSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236347 1446224569 /nfs/dbraw/zinc/22/45/69/1446224569.db2.gz ROTOFLAAGWZBCA-GDBMZVCRSA-N 0 1 394.454 3.212 20 0 GGADMN CCn1c(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)nc2cc(F)ccc21 ZINC000825789128 1446243404 /nfs/dbraw/zinc/24/34/04/1446243404.db2.gz WVRQKEVWSKXENF-UHFFFAOYSA-N 0 1 377.427 3.154 20 0 GGADMN COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826189360 1446262433 /nfs/dbraw/zinc/26/24/33/1446262433.db2.gz UFTLEQQNJNZJJP-WTOJCKNJSA-N 0 1 385.443 3.441 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1-c1nnn[n-]1 ZINC000826374562 1446264385 /nfs/dbraw/zinc/26/43/85/1446264385.db2.gz DOEKXEXKVWLGQR-OAHLLOKOSA-N 0 1 377.427 3.020 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000737240472 1446269343 /nfs/dbraw/zinc/26/93/43/1446269343.db2.gz LEQMXFFVGBOXEO-CYBMUJFWSA-N 0 1 378.358 3.043 20 0 GGADMN CCC[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000825242502 1446274746 /nfs/dbraw/zinc/27/47/46/1446274746.db2.gz SLYMRQZVIMHMKL-QGZVFWFLSA-N 0 1 386.406 3.214 20 0 GGADMN Cc1oc2ccccc2c1C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826342372 1446276935 /nfs/dbraw/zinc/27/69/35/1446276935.db2.gz IBDYAOXNJIILPM-UHFFFAOYSA-N 0 1 389.463 3.075 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1cccs1 ZINC000821624040 1446286395 /nfs/dbraw/zinc/28/63/95/1446286395.db2.gz YDRNJSMUVVYVMD-WMLDXEAASA-N 0 1 397.508 3.133 20 0 GGADMN C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccs1 ZINC000821624040 1446286400 /nfs/dbraw/zinc/28/64/00/1446286400.db2.gz YDRNJSMUVVYVMD-WMLDXEAASA-N 0 1 397.508 3.133 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccs1 ZINC000821624040 1446286402 /nfs/dbraw/zinc/28/64/02/1446286402.db2.gz YDRNJSMUVVYVMD-WMLDXEAASA-N 0 1 397.508 3.133 20 0 GGADMN C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824545292 1446288915 /nfs/dbraw/zinc/28/89/15/1446288915.db2.gz BVYQLBICBPVXRL-OAHLLOKOSA-N 0 1 380.471 3.321 20 0 GGADMN CCc1csc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(-c4nnn[n-]4)c3)C2)n1 ZINC000825740725 1446310152 /nfs/dbraw/zinc/31/01/52/1446310152.db2.gz ZFOJGRCAPGQDOR-CQSZACIVSA-N 0 1 384.509 3.274 20 0 GGADMN CCc1csc([C@@H]2CCC[N@H+](Cc3ccc(OC)c(-c4nn[n-]n4)c3)C2)n1 ZINC000825740725 1446310158 /nfs/dbraw/zinc/31/01/58/1446310158.db2.gz ZFOJGRCAPGQDOR-CQSZACIVSA-N 0 1 384.509 3.274 20 0 GGADMN CCc1csc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(-c4nn[n-]n4)c3)C2)n1 ZINC000825740725 1446310163 /nfs/dbraw/zinc/31/01/63/1446310163.db2.gz ZFOJGRCAPGQDOR-CQSZACIVSA-N 0 1 384.509 3.274 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820613039 1446324602 /nfs/dbraw/zinc/32/46/02/1446324602.db2.gz QXDIZGQRSNREPS-FQEVSTJZSA-N 0 1 396.520 3.212 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820613039 1446324606 /nfs/dbraw/zinc/32/46/06/1446324606.db2.gz QXDIZGQRSNREPS-FQEVSTJZSA-N 0 1 396.520 3.212 20 0 GGADMN COc1cccc([C@@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)[NH+](C)C)c1 ZINC000737124503 1446332665 /nfs/dbraw/zinc/33/26/65/1446332665.db2.gz CCFHOKBQJCZGMY-LJQANCHMSA-N 0 1 389.463 3.138 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000825282708 1446353759 /nfs/dbraw/zinc/35/37/59/1446353759.db2.gz XHOUNXHLRFOPBN-UHFFFAOYSA-N 0 1 383.544 3.089 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000825282708 1446353774 /nfs/dbraw/zinc/35/37/74/1446353774.db2.gz XHOUNXHLRFOPBN-UHFFFAOYSA-N 0 1 383.544 3.089 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000825282708 1446353777 /nfs/dbraw/zinc/35/37/77/1446353777.db2.gz XHOUNXHLRFOPBN-UHFFFAOYSA-N 0 1 383.544 3.089 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC[N@H+]1C ZINC000736229807 1446362896 /nfs/dbraw/zinc/36/28/96/1446362896.db2.gz SDOKXQPVYTYMOQ-CVEARBPZSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000736229807 1446362898 /nfs/dbraw/zinc/36/28/98/1446362898.db2.gz SDOKXQPVYTYMOQ-CVEARBPZSA-N 0 1 390.491 3.088 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC[N@H+]1C ZINC000736229807 1446362902 /nfs/dbraw/zinc/36/29/02/1446362902.db2.gz SDOKXQPVYTYMOQ-CVEARBPZSA-N 0 1 390.491 3.088 20 0 GGADMN Cc1ccnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826309731 1446366855 /nfs/dbraw/zinc/36/68/55/1446366855.db2.gz ZUCDPEXUQHUUSX-FUHWJXTLSA-N 0 1 377.496 3.059 20 0 GGADMN Cc1ccnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826309731 1446366858 /nfs/dbraw/zinc/36/68/58/1446366858.db2.gz ZUCDPEXUQHUUSX-FUHWJXTLSA-N 0 1 377.496 3.059 20 0 GGADMN CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435414 1446386008 /nfs/dbraw/zinc/38/60/08/1446386008.db2.gz XFDYWWYPVVFAMN-INIZCTEOSA-N 0 1 388.479 3.339 20 0 GGADMN CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435414 1446386009 /nfs/dbraw/zinc/38/60/09/1446386009.db2.gz XFDYWWYPVVFAMN-INIZCTEOSA-N 0 1 388.479 3.339 20 0 GGADMN CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435414 1446386010 /nfs/dbraw/zinc/38/60/10/1446386010.db2.gz XFDYWWYPVVFAMN-INIZCTEOSA-N 0 1 388.479 3.339 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613057 1446386174 /nfs/dbraw/zinc/38/61/74/1446386174.db2.gz RHVIPUYADZMAAV-CQSZACIVSA-N 0 1 394.454 3.093 20 0 GGADMN COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000821783134 1446401829 /nfs/dbraw/zinc/40/18/29/1446401829.db2.gz XMBPJXCTHSFJEV-INIZCTEOSA-N 0 1 393.491 3.274 20 0 GGADMN CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820050605 1446402508 /nfs/dbraw/zinc/40/25/08/1446402508.db2.gz DJQKANZAFMENEC-KRWDZBQOSA-N 0 1 382.493 3.122 20 0 GGADMN CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820050605 1446402511 /nfs/dbraw/zinc/40/25/11/1446402511.db2.gz DJQKANZAFMENEC-KRWDZBQOSA-N 0 1 382.493 3.122 20 0 GGADMN C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000824899744 1446415372 /nfs/dbraw/zinc/41/53/72/1446415372.db2.gz NQRCAMIYZYTKOE-YJBOKZPZSA-N 0 1 378.480 3.295 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000826519655 1446416115 /nfs/dbraw/zinc/41/61/15/1446416115.db2.gz IFLYXADZUFKSTO-OAHLLOKOSA-N 0 1 381.505 3.256 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547698 1446422409 /nfs/dbraw/zinc/42/24/09/1446422409.db2.gz RXZXEPWCYSEQCF-CRAIPNDOSA-N 0 1 380.471 3.321 20 0 GGADMN Cc1cc(N2CCC[C@H](Nc3c(Cl)cccc3-c3nnn[n-]3)C2)nc(C)[nH+]1 ZINC000822207140 1446425589 /nfs/dbraw/zinc/42/55/89/1446425589.db2.gz MEMIGYUBMORGQA-ZDUSSCGKSA-N 0 1 384.875 3.008 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000737033670 1446426040 /nfs/dbraw/zinc/42/60/40/1446426040.db2.gz WZIOWLOCYFODNI-RHSMWYFYSA-N 0 1 397.454 3.271 20 0 GGADMN C[C@@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340626 1446439623 /nfs/dbraw/zinc/43/96/23/1446439623.db2.gz MIPJPFTVCBTMCE-MRXNPFEDSA-N 0 1 399.543 3.081 20 0 GGADMN c1cn(CCCC2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)cn1 ZINC000826523213 1446455140 /nfs/dbraw/zinc/45/51/40/1446455140.db2.gz FMIXHXFDBDGCJU-UHFFFAOYSA-N 0 1 388.479 3.308 20 0 GGADMN O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826506487 1446461583 /nfs/dbraw/zinc/46/15/83/1446461583.db2.gz VQLUAWLJZKDMDV-OCCSQVGLSA-N 0 1 395.410 3.255 20 0 GGADMN CC(C)(C)OC(=O)NC1CCC([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824109801 1446467434 /nfs/dbraw/zinc/46/74/34/1446467434.db2.gz VYXKEWWEORXSLR-UHFFFAOYSA-N 0 1 398.511 3.281 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000826268365 1446470305 /nfs/dbraw/zinc/47/03/05/1446470305.db2.gz UKVMLEUDKKVXAD-UHFFFAOYSA-N 0 1 397.502 3.419 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000826268365 1446470306 /nfs/dbraw/zinc/47/03/06/1446470306.db2.gz UKVMLEUDKKVXAD-UHFFFAOYSA-N 0 1 397.502 3.419 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000826268365 1446470309 /nfs/dbraw/zinc/47/03/09/1446470309.db2.gz UKVMLEUDKKVXAD-UHFFFAOYSA-N 0 1 397.502 3.419 20 0 GGADMN CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821220891 1446470711 /nfs/dbraw/zinc/47/07/11/1446470711.db2.gz FGBIRHPOWIMCTP-QGZVFWFLSA-N 0 1 391.397 3.441 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)c2)C[C@@H](C)O1 ZINC000820759033 1446471428 /nfs/dbraw/zinc/47/14/28/1446471428.db2.gz GZIMBAHDJVTFGL-CHWSQXEVSA-N 0 1 399.886 3.268 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826515654 1446475945 /nfs/dbraw/zinc/47/59/45/1446475945.db2.gz GPJUHXAWPJZKQY-UHFFFAOYSA-N 0 1 386.463 3.192 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547192 1446479199 /nfs/dbraw/zinc/47/91/99/1446479199.db2.gz NDTQJQYDSPTGAV-WMLDXEAASA-N 0 1 386.500 3.307 20 0 GGADMN O=C(C[N@@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826410372 1446487385 /nfs/dbraw/zinc/48/73/85/1446487385.db2.gz LDCKGPQKAIMTKN-XVJNWHFHSA-N 0 1 380.477 3.045 20 0 GGADMN O=C(C[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826410372 1446487387 /nfs/dbraw/zinc/48/73/87/1446487387.db2.gz LDCKGPQKAIMTKN-XVJNWHFHSA-N 0 1 380.477 3.045 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000823673313 1446488123 /nfs/dbraw/zinc/48/81/23/1446488123.db2.gz KQUUSCATGXJKHX-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673313 1446488126 /nfs/dbraw/zinc/48/81/26/1446488126.db2.gz KQUUSCATGXJKHX-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673313 1446488128 /nfs/dbraw/zinc/48/81/28/1446488128.db2.gz KQUUSCATGXJKHX-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000826341820 1446493755 /nfs/dbraw/zinc/49/37/55/1446493755.db2.gz QWXFOGBEMYEVEL-VHSXEESVSA-N 0 1 390.394 3.033 20 0 GGADMN COc1cc([C@@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)ccc1OCC(C)C ZINC000826177464 1446494315 /nfs/dbraw/zinc/49/43/15/1446494315.db2.gz JNISABJYESIHIX-CQSZACIVSA-N 0 1 382.468 3.156 20 0 GGADMN Cc1cc(C(=O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c(C)n1C ZINC000822161397 1446497133 /nfs/dbraw/zinc/49/71/33/1446497133.db2.gz PCSQYHLGPBBJNN-UHFFFAOYSA-N 0 1 380.496 3.163 20 0 GGADMN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826507061 1446520281 /nfs/dbraw/zinc/52/02/81/1446520281.db2.gz IBMABCQFYQMRED-NVXWUHKLSA-N 0 1 389.381 3.193 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(Nc2ccc3c(c2)CCCO3)CC1 ZINC000826514028 1446523207 /nfs/dbraw/zinc/52/32/07/1446523207.db2.gz DOQYUQBTYBQOAS-UHFFFAOYSA-N 0 1 390.491 3.268 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@@H+]1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375848 1446533545 /nfs/dbraw/zinc/53/35/45/1446533545.db2.gz DXHXMXJYFBAKMA-PMACEKPBSA-N 0 1 379.439 3.457 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375848 1446533550 /nfs/dbraw/zinc/53/35/50/1446533550.db2.gz DXHXMXJYFBAKMA-PMACEKPBSA-N 0 1 379.439 3.457 20 0 GGADMN c1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC000826515877 1446536330 /nfs/dbraw/zinc/53/63/30/1446536330.db2.gz OGEXEQSKIHYQER-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN c1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC000826515877 1446536332 /nfs/dbraw/zinc/53/63/32/1446536332.db2.gz OGEXEQSKIHYQER-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN c1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC000826515877 1446536335 /nfs/dbraw/zinc/53/63/35/1446536335.db2.gz OGEXEQSKIHYQER-UHFFFAOYSA-N 0 1 392.463 3.325 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000826250526 1446550686 /nfs/dbraw/zinc/55/06/86/1446550686.db2.gz FQTHMUOXOHYYOW-UHFFFAOYSA-N 0 1 397.508 3.260 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)s1 ZINC000821207827 1446551748 /nfs/dbraw/zinc/55/17/48/1446551748.db2.gz VGWDPZCZYBPBQW-UHFFFAOYSA-N 0 1 390.900 3.432 20 0 GGADMN COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001139094608 1446552798 /nfs/dbraw/zinc/55/27/98/1446552798.db2.gz NMKISXDZEVFDPC-LJQANCHMSA-N 0 1 377.448 3.381 20 0 GGADMN CC[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2C1 ZINC000825120829 1446553749 /nfs/dbraw/zinc/55/37/49/1446553749.db2.gz NYTDFSVWXJWFRN-IIBYNOLFSA-N 0 1 376.508 3.354 20 0 GGADMN Fc1ccc(OC2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CC2)cc1 ZINC000826375337 1446558705 /nfs/dbraw/zinc/55/87/05/1446558705.db2.gz JHKBFNGIMRWSDW-UHFFFAOYSA-N 0 1 394.454 3.327 20 0 GGADMN COc1ccc(COCCCNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826206598 1446562273 /nfs/dbraw/zinc/56/22/73/1446562273.db2.gz CMRMFGBJTNKWDP-UHFFFAOYSA-N 0 1 394.479 3.168 20 0 GGADMN COCC[N@@H+](Cc1cc2cc(F)ccc2o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159253 1446598042 /nfs/dbraw/zinc/59/80/42/1446598042.db2.gz YVPADOZSCAQCML-UHFFFAOYSA-N 0 1 381.411 3.401 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577172 1446599033 /nfs/dbraw/zinc/59/90/33/1446599033.db2.gz HMVZYMAYKGENRQ-TZMCWYRMSA-N 0 1 390.463 3.056 20 0 GGADMN CCC[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCc2ccccc2C1 ZINC000821094526 1446623527 /nfs/dbraw/zinc/62/35/27/1446623527.db2.gz LHUQGTZODMMPJT-LEWJYISDSA-N 0 1 377.492 3.170 20 0 GGADMN CCC[N@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc2C1 ZINC000821094526 1446623528 /nfs/dbraw/zinc/62/35/28/1446623528.db2.gz LHUQGTZODMMPJT-LEWJYISDSA-N 0 1 377.492 3.170 20 0 GGADMN CCC[N@@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc2C1 ZINC000821094526 1446623529 /nfs/dbraw/zinc/62/35/29/1446623529.db2.gz LHUQGTZODMMPJT-LEWJYISDSA-N 0 1 377.492 3.170 20 0 GGADMN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261383 1446656334 /nfs/dbraw/zinc/65/63/34/1446656334.db2.gz KCHBHALUCVSGFL-UHFFFAOYSA-N 0 1 396.520 3.234 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541303 1446671422 /nfs/dbraw/zinc/67/14/22/1446671422.db2.gz NBNQTPSXSVFMCB-SZNDQCEHSA-N 0 1 394.479 3.067 20 0 GGADMN CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735751167 1446674475 /nfs/dbraw/zinc/67/44/75/1446674475.db2.gz UNKKYKXYFIVTNH-CQSZACIVSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735751167 1446674482 /nfs/dbraw/zinc/67/44/82/1446674482.db2.gz UNKKYKXYFIVTNH-CQSZACIVSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735751167 1446674490 /nfs/dbraw/zinc/67/44/90/1446674490.db2.gz UNKKYKXYFIVTNH-CQSZACIVSA-N 0 1 388.541 3.256 20 0 GGADMN C[N@H+](Cc1cccnc1)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825986189 1446687785 /nfs/dbraw/zinc/68/77/85/1446687785.db2.gz SKMJUNOEUNYUEW-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN C[N@@H+](Cc1cccnc1)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825986189 1446687788 /nfs/dbraw/zinc/68/77/88/1446687788.db2.gz SKMJUNOEUNYUEW-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000823108734 1446692552 /nfs/dbraw/zinc/69/25/52/1446692552.db2.gz QPULSVJHGNPUPJ-UHFFFAOYSA-N 0 1 376.464 3.034 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000824598241 1446705071 /nfs/dbraw/zinc/70/50/71/1446705071.db2.gz CSXPARUTHORRJA-GFCCVEGCSA-N 0 1 388.269 3.359 20 0 GGADMN CC1(C)CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1 ZINC000736211206 1446706457 /nfs/dbraw/zinc/70/64/57/1446706457.db2.gz MYGSVMLNDKPDMJ-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN Cn1cc(C[NH2+]CCC2Cc3ccccc3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361766 1446711429 /nfs/dbraw/zinc/71/14/29/1446711429.db2.gz NVYKADWMZUMRDE-UHFFFAOYSA-N 0 1 399.502 3.162 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826210717 1446711491 /nfs/dbraw/zinc/71/14/91/1446711491.db2.gz BOPWLDWYBKNMHT-SFHVURJKSA-N 0 1 395.463 3.230 20 0 GGADMN CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435144 1446711640 /nfs/dbraw/zinc/71/16/40/1446711640.db2.gz NHOZYIWQOXCMRL-MRXNPFEDSA-N 0 1 377.496 3.445 20 0 GGADMN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547532 1446720032 /nfs/dbraw/zinc/72/00/32/1446720032.db2.gz PIYXUYCKVSSGPL-HZPDHXFCSA-N 0 1 377.496 3.138 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682409 1446730412 /nfs/dbraw/zinc/73/04/12/1446730412.db2.gz PUOXNFBIWKFHIM-MJGOQNOKSA-N 0 1 399.882 3.097 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2nc3ccccn3c2-c2nnn[n-]2)[C@H]1c1cccs1 ZINC000826029033 1446732509 /nfs/dbraw/zinc/73/25/09/1446732509.db2.gz MXAGDASLKDSOBT-CJNGLKHVSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@@H+]1CCC[C@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000826029033 1446732512 /nfs/dbraw/zinc/73/25/12/1446732512.db2.gz MXAGDASLKDSOBT-CJNGLKHVSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000826029033 1446732514 /nfs/dbraw/zinc/73/25/14/1446732514.db2.gz MXAGDASLKDSOBT-CJNGLKHVSA-N 0 1 394.508 3.071 20 0 GGADMN Clc1ccc(C2([NH2+]CCOc3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000737571018 1446752893 /nfs/dbraw/zinc/75/28/93/1446752893.db2.gz PXXDJQALCZSTOE-UHFFFAOYSA-N 0 1 399.882 3.194 20 0 GGADMN COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(-c3nnn[n-]3)c2F)c(OC)c1 ZINC000826190407 1446754267 /nfs/dbraw/zinc/75/42/67/1446754267.db2.gz ZZMLZOAKZFGYAL-QGZVFWFLSA-N 0 1 383.427 3.360 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2F)c(OC)c1 ZINC000826190407 1446754269 /nfs/dbraw/zinc/75/42/69/1446754269.db2.gz ZZMLZOAKZFGYAL-QGZVFWFLSA-N 0 1 383.427 3.360 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553870 1446761942 /nfs/dbraw/zinc/76/19/42/1446761942.db2.gz JOIFPQWCURELKV-TZMCWYRMSA-N 0 1 377.489 3.101 20 0 GGADMN S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826512046 1446767831 /nfs/dbraw/zinc/76/78/31/1446767831.db2.gz MTFIPBHKQPCHMH-UHFFFAOYSA-N 0 1 399.568 3.152 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826182936 1446769385 /nfs/dbraw/zinc/76/93/85/1446769385.db2.gz YRXPSEOAHLTMDC-HNNXBMFYSA-N 0 1 385.855 3.182 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000826182936 1446769392 /nfs/dbraw/zinc/76/93/92/1446769392.db2.gz YRXPSEOAHLTMDC-HNNXBMFYSA-N 0 1 385.855 3.182 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000822015316 1446773371 /nfs/dbraw/zinc/77/33/71/1446773371.db2.gz IBXMNHBXMPDCNI-NVXWUHKLSA-N 0 1 397.527 3.213 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC000822015316 1446773374 /nfs/dbraw/zinc/77/33/74/1446773374.db2.gz IBXMNHBXMPDCNI-NVXWUHKLSA-N 0 1 397.527 3.213 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578291 1446783428 /nfs/dbraw/zinc/78/34/28/1446783428.db2.gz SBGGZHDDNGXNBO-SJCJKPOMSA-N 0 1 382.855 3.364 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964887 1446784723 /nfs/dbraw/zinc/78/47/23/1446784723.db2.gz RZAADBQTERSYSL-SFHVURJKSA-N 0 1 390.491 3.150 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964887 1446784726 /nfs/dbraw/zinc/78/47/26/1446784726.db2.gz RZAADBQTERSYSL-SFHVURJKSA-N 0 1 390.491 3.150 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964887 1446784729 /nfs/dbraw/zinc/78/47/29/1446784729.db2.gz RZAADBQTERSYSL-SFHVURJKSA-N 0 1 390.491 3.150 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c(Cl)c1 ZINC000737649479 1446813056 /nfs/dbraw/zinc/81/30/56/1446813056.db2.gz MTRQQGFAXRBNCC-AWEZNQCLSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c(Cl)c1 ZINC000737649479 1446813059 /nfs/dbraw/zinc/81/30/59/1446813059.db2.gz MTRQQGFAXRBNCC-AWEZNQCLSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C2CCC([NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826374226 1446814084 /nfs/dbraw/zinc/81/40/84/1446814084.db2.gz QSWYSJRXWAVUFR-UHFFFAOYSA-N 0 1 391.454 3.470 20 0 GGADMN C[C@@H](CCc1ccccc1)C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824406359 1446823935 /nfs/dbraw/zinc/82/39/35/1446823935.db2.gz IFQBGJHNRMWJDR-KRWDZBQOSA-N 0 1 391.523 3.089 20 0 GGADMN Cc1cnc(CC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826318723 1446831594 /nfs/dbraw/zinc/83/15/94/1446831594.db2.gz WOWCPOOQYYVEQO-UHFFFAOYSA-N 0 1 393.314 3.069 20 0 GGADMN Cc1cnc(CC[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826318723 1446831601 /nfs/dbraw/zinc/83/16/01/1446831601.db2.gz WOWCPOOQYYVEQO-UHFFFAOYSA-N 0 1 393.314 3.069 20 0 GGADMN COc1cccc(C[N@H+](Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H]2CCCO2)c1 ZINC000737130928 1446857851 /nfs/dbraw/zinc/85/78/51/1446857851.db2.gz JAUWOQKDIGRTNN-LJQANCHMSA-N 0 1 397.454 3.196 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000823767688 1446859368 /nfs/dbraw/zinc/85/93/68/1446859368.db2.gz VQSDCOBLKGCUSB-OAHLLOKOSA-N 0 1 389.488 3.032 20 0 GGADMN COc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1-c1nnn[n-]1 ZINC000821821745 1446871874 /nfs/dbraw/zinc/87/18/74/1446871874.db2.gz UZCDLRJFFOSGTE-UHFFFAOYSA-N 0 1 378.480 3.473 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000826169616 1446872602 /nfs/dbraw/zinc/87/26/02/1446872602.db2.gz YKQNBZKYTHUZPW-CVEARBPZSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000826169616 1446872606 /nfs/dbraw/zinc/87/26/06/1446872606.db2.gz YKQNBZKYTHUZPW-CVEARBPZSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000826169616 1446872611 /nfs/dbraw/zinc/87/26/11/1446872611.db2.gz YKQNBZKYTHUZPW-CVEARBPZSA-N 0 1 385.493 3.025 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547884 1446879436 /nfs/dbraw/zinc/87/94/36/1446879436.db2.gz UASXLFVQPSCERQ-WMLDXEAASA-N 0 1 386.500 3.307 20 0 GGADMN C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000736232537 1446890223 /nfs/dbraw/zinc/89/02/23/1446890223.db2.gz ZCKVNPHXFBBFKL-UWJYYQICSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232537 1446890225 /nfs/dbraw/zinc/89/02/25/1446890225.db2.gz ZCKVNPHXFBBFKL-UWJYYQICSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000736232537 1446890232 /nfs/dbraw/zinc/89/02/32/1446890232.db2.gz ZCKVNPHXFBBFKL-UWJYYQICSA-N 0 1 376.508 3.352 20 0 GGADMN CCOc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000825639503 1446895888 /nfs/dbraw/zinc/89/58/88/1446895888.db2.gz YKCILMQONCJQMF-SFHVURJKSA-N 0 1 379.464 3.441 20 0 GGADMN CCC[N@@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825322372 1446907809 /nfs/dbraw/zinc/90/78/09/1446907809.db2.gz BMVWSEKNQJUCFA-UHFFFAOYSA-N 0 1 388.479 3.074 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000821109468 1446911402 /nfs/dbraw/zinc/91/14/02/1446911402.db2.gz JPQUOBYGUMVMAO-UHFFFAOYSA-N 0 1 386.463 3.444 20 0 GGADMN Cc1ccc(CC[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826287457 1446915216 /nfs/dbraw/zinc/91/52/16/1446915216.db2.gz PSPKVGUWQSWVNF-UHFFFAOYSA-N 0 1 390.535 3.280 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824547491 1446920575 /nfs/dbraw/zinc/92/05/75/1446920575.db2.gz PCYQMSGXEQGIDG-HIFRSBDPSA-N 0 1 384.434 3.465 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569795 1446929685 /nfs/dbraw/zinc/92/96/85/1446929685.db2.gz KFIDHBBXKKMQIZ-KXBFYZLASA-N 0 1 395.507 3.255 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821516827 1446930422 /nfs/dbraw/zinc/93/04/22/1446930422.db2.gz CZBSSOMCBFOIIN-CYBMUJFWSA-N 0 1 391.401 3.486 20 0 GGADMN C[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824586531 1446934868 /nfs/dbraw/zinc/93/48/68/1446934868.db2.gz ZNTQVMSXEHLZKC-INIZCTEOSA-N 0 1 379.464 3.431 20 0 GGADMN CC[NH+](CC)CCOc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821189740 1446935125 /nfs/dbraw/zinc/93/51/25/1446935125.db2.gz RUVFKRBTQIPPBB-UHFFFAOYSA-N 0 1 396.495 3.208 20 0 GGADMN Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826342407 1446946727 /nfs/dbraw/zinc/94/67/27/1446946727.db2.gz IYYQIJGNVLSSBG-HXUWFJFHSA-N 0 1 375.432 3.495 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822332006 1446947745 /nfs/dbraw/zinc/94/77/45/1446947745.db2.gz KPVBZGMRIIYZAQ-KXBFYZLASA-N 0 1 389.507 3.176 20 0 GGADMN Clc1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC000737572962 1446962094 /nfs/dbraw/zinc/96/20/94/1446962094.db2.gz CAJQOXUSQQJVJS-UHFFFAOYSA-N 0 1 383.887 3.239 20 0 GGADMN C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470268 1446972437 /nfs/dbraw/zinc/97/24/37/1446972437.db2.gz HGGLNXWSDJYGEX-OAHLLOKOSA-N 0 1 390.491 3.053 20 0 GGADMN Cc1cccc(C)c1C[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737386964 1446978777 /nfs/dbraw/zinc/97/87/77/1446978777.db2.gz GDAGUVKDPMBAQJ-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cccc(C)c1C[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737386964 1446978781 /nfs/dbraw/zinc/97/87/81/1446978781.db2.gz GDAGUVKDPMBAQJ-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN Cc1cccc(C)c1C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737386964 1446978782 /nfs/dbraw/zinc/97/87/82/1446978782.db2.gz GDAGUVKDPMBAQJ-UHFFFAOYSA-N 0 1 376.508 3.191 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000825704863 1446997744 /nfs/dbraw/zinc/99/77/44/1446997744.db2.gz OPZSXMCCNWKTHM-KRWDZBQOSA-N 0 1 377.452 3.397 20 0 GGADMN CCc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000825704863 1446997747 /nfs/dbraw/zinc/99/77/47/1446997747.db2.gz OPZSXMCCNWKTHM-KRWDZBQOSA-N 0 1 377.452 3.397 20 0 GGADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820020350 1447010966 /nfs/dbraw/zinc/01/09/66/1447010966.db2.gz FMCPUIAEDSAVNY-QGZVFWFLSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@@H](CC[N@H+](C)Cc1ccccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820020350 1447010971 /nfs/dbraw/zinc/01/09/71/1447010971.db2.gz FMCPUIAEDSAVNY-QGZVFWFLSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820020350 1447010974 /nfs/dbraw/zinc/01/09/74/1447010974.db2.gz FMCPUIAEDSAVNY-QGZVFWFLSA-N 0 1 388.516 3.238 20 0 GGADMN c1cc(-c2nnc(C[N@H+](CC3CC3)C3CCCCC3)o2)ccc1-c1nnn[n-]1 ZINC000823737463 1447014677 /nfs/dbraw/zinc/01/46/77/1447014677.db2.gz FAIUTJWUOMUVPG-UHFFFAOYSA-N 0 1 379.468 3.461 20 0 GGADMN CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736510723 1447050689 /nfs/dbraw/zinc/05/06/89/1447050689.db2.gz HRKGONYHIYSHGB-UHFFFAOYSA-N 0 1 382.443 3.083 20 0 GGADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736510723 1447050695 /nfs/dbraw/zinc/05/06/95/1447050695.db2.gz HRKGONYHIYSHGB-UHFFFAOYSA-N 0 1 382.443 3.083 20 0 GGADMN Clc1ccc(CN2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826351876 1447051382 /nfs/dbraw/zinc/05/13/82/1447051382.db2.gz FENDXXFQSKHIBR-UHFFFAOYSA-N 0 1 382.899 3.274 20 0 GGADMN CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736481350 1447052827 /nfs/dbraw/zinc/05/28/27/1447052827.db2.gz OCRDCHYHRGALDH-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN C[NH+](C)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000821581741 1447061892 /nfs/dbraw/zinc/06/18/92/1447061892.db2.gz UMMWZOCDULCNKQ-ZDUSSCGKSA-N 0 1 378.267 3.283 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198241 1447119762 /nfs/dbraw/zinc/11/97/62/1447119762.db2.gz RKYIQIUKTPKOEL-SCLBCKFNSA-N 0 1 396.882 3.318 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198241 1447119764 /nfs/dbraw/zinc/11/97/64/1447119764.db2.gz RKYIQIUKTPKOEL-SCLBCKFNSA-N 0 1 396.882 3.318 20 0 GGADMN C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824670693 1447121897 /nfs/dbraw/zinc/12/18/97/1447121897.db2.gz UGZRCCKTAPVWTA-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824670693 1447121898 /nfs/dbraw/zinc/12/18/98/1447121898.db2.gz UGZRCCKTAPVWTA-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824670693 1447121900 /nfs/dbraw/zinc/12/19/00/1447121900.db2.gz UGZRCCKTAPVWTA-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN CCc1ccc(C(C)(C)[NH2+]Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000825705021 1447123007 /nfs/dbraw/zinc/12/30/07/1447123007.db2.gz UHEGOYKLHKDYLY-UHFFFAOYSA-N 0 1 379.464 3.241 20 0 GGADMN COc1ccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1OC1CCCC1 ZINC000737095616 1447129637 /nfs/dbraw/zinc/12/96/37/1447129637.db2.gz KVALGHAAYZCDJP-UHFFFAOYSA-N 0 1 379.464 3.487 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822234943 1447137565 /nfs/dbraw/zinc/13/75/65/1447137565.db2.gz MKQRFLHVVDJVEL-ZDUSSCGKSA-N 0 1 398.536 3.355 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822234943 1447137569 /nfs/dbraw/zinc/13/75/69/1447137569.db2.gz MKQRFLHVVDJVEL-ZDUSSCGKSA-N 0 1 398.536 3.355 20 0 GGADMN CC(C)[N@@H+](C)CCCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735856104 1447141675 /nfs/dbraw/zinc/14/16/75/1447141675.db2.gz CJLFAKQOOQOXGA-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC(C)[N@H+](C)CCCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735856104 1447141680 /nfs/dbraw/zinc/14/16/80/1447141680.db2.gz CJLFAKQOOQOXGA-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC(C)[N@@H+](C)CCCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735856104 1447141685 /nfs/dbraw/zinc/14/16/85/1447141685.db2.gz CJLFAKQOOQOXGA-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC12CCC2 ZINC000824961889 1447146146 /nfs/dbraw/zinc/14/61/46/1447146146.db2.gz KMIKNTXLKXMOST-HNNXBMFYSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824961889 1447146148 /nfs/dbraw/zinc/14/61/48/1447146148.db2.gz KMIKNTXLKXMOST-HNNXBMFYSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC000824961889 1447146150 /nfs/dbraw/zinc/14/61/50/1447146150.db2.gz KMIKNTXLKXMOST-HNNXBMFYSA-N 0 1 377.496 3.279 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1-c1nn[n-]n1 ZINC000826202567 1447164032 /nfs/dbraw/zinc/16/40/32/1447164032.db2.gz DSMBAEIOOCNWGJ-DNVCBOLYSA-N 0 1 384.528 3.008 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1-c1nnn[n-]1 ZINC000826202567 1447164034 /nfs/dbraw/zinc/16/40/34/1447164034.db2.gz DSMBAEIOOCNWGJ-DNVCBOLYSA-N 0 1 384.528 3.008 20 0 GGADMN COc1ccccc1N1CCC([NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821898975 1447165141 /nfs/dbraw/zinc/16/51/41/1447165141.db2.gz VGGKVJPKDWSXGL-OAHLLOKOSA-N 0 1 378.480 3.195 20 0 GGADMN COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826211335 1447173319 /nfs/dbraw/zinc/17/33/19/1447173319.db2.gz YFPIRCMFAVEQMI-JLTOFOAXSA-N 0 1 379.464 3.310 20 0 GGADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000823796924 1447181821 /nfs/dbraw/zinc/18/18/21/1447181821.db2.gz HSULXUDBPHUXTD-UHFFFAOYSA-N 0 1 386.463 3.412 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC(c4ccnn4C)CC3)c2c1 ZINC000822195272 1447185785 /nfs/dbraw/zinc/18/57/85/1447185785.db2.gz MNIQHIUFDATXSC-UHFFFAOYSA-N 0 1 388.479 3.149 20 0 GGADMN c1ccc(-c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000738423284 1447186356 /nfs/dbraw/zinc/18/63/56/1447186356.db2.gz QDWCKINCKOMMBZ-LJQANCHMSA-N 0 1 388.519 3.451 20 0 GGADMN c1ccc(-c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000738423284 1447186359 /nfs/dbraw/zinc/18/63/59/1447186359.db2.gz QDWCKINCKOMMBZ-LJQANCHMSA-N 0 1 388.519 3.451 20 0 GGADMN COc1ccc(Br)c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826187004 1447188553 /nfs/dbraw/zinc/18/85/53/1447188553.db2.gz UZNLNYVHGHWKBR-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825068742 1447218427 /nfs/dbraw/zinc/21/84/27/1447218427.db2.gz WDIODPFAEAUWTE-ZIAGYGMSSA-N 0 1 396.470 3.385 20 0 GGADMN COc1ccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826194569 1447221173 /nfs/dbraw/zinc/22/11/73/1447221173.db2.gz PRBYCRZGNUJENY-UHFFFAOYSA-N 0 1 379.464 3.227 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820419160 1447233665 /nfs/dbraw/zinc/23/36/65/1447233665.db2.gz FDCWYDKDEDTACO-BZNIZROVSA-N 0 1 388.269 3.013 20 0 GGADMN c1cc(C[NH2+]C[C@@H]2CCCS2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751526 1447238016 /nfs/dbraw/zinc/23/80/16/1447238016.db2.gz LHZFPJINUBBNJD-IBGZPJMESA-N 0 1 381.505 3.431 20 0 GGADMN CC(C)[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735860405 1447240142 /nfs/dbraw/zinc/24/01/42/1447240142.db2.gz DRWPPTCLFUPKTP-UHFFFAOYSA-N 0 1 389.463 3.370 20 0 GGADMN COc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826193916 1447240614 /nfs/dbraw/zinc/24/06/14/1447240614.db2.gz USXRLFKSZLSYMO-LJQANCHMSA-N 0 1 399.470 3.206 20 0 GGADMN COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826193916 1447240619 /nfs/dbraw/zinc/24/06/19/1447240619.db2.gz USXRLFKSZLSYMO-LJQANCHMSA-N 0 1 399.470 3.206 20 0 GGADMN COc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826193916 1447240624 /nfs/dbraw/zinc/24/06/24/1447240624.db2.gz USXRLFKSZLSYMO-LJQANCHMSA-N 0 1 399.470 3.206 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000822761851 1447248704 /nfs/dbraw/zinc/24/87/04/1447248704.db2.gz UHXIKTHPJALUFP-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN CCc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736690819 1447257294 /nfs/dbraw/zinc/25/72/94/1447257294.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN CCc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736690819 1447257297 /nfs/dbraw/zinc/25/72/97/1447257297.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN CCc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000736690819 1447257302 /nfs/dbraw/zinc/25/73/02/1447257302.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN CCc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736690819 1447257307 /nfs/dbraw/zinc/25/73/07/1447257307.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN CCc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736690819 1447257312 /nfs/dbraw/zinc/25/73/12/1447257312.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN CCc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736690819 1447257317 /nfs/dbraw/zinc/25/73/17/1447257317.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN CCc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000736690819 1447257323 /nfs/dbraw/zinc/25/73/23/1447257323.db2.gz NHYOOBAKTIYRGO-UHFFFAOYSA-N 0 1 376.508 3.137 20 0 GGADMN COc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826193963 1447266785 /nfs/dbraw/zinc/26/67/85/1447266785.db2.gz WBJMYUKOAVBRAM-SFHVURJKSA-N 0 1 397.454 3.196 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000823672150 1447273057 /nfs/dbraw/zinc/27/30/57/1447273057.db2.gz BKISPEZOFMNHSW-UYAOXDASSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@H](C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672150 1447273063 /nfs/dbraw/zinc/27/30/63/1447273063.db2.gz BKISPEZOFMNHSW-UYAOXDASSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672150 1447273068 /nfs/dbraw/zinc/27/30/68/1447273068.db2.gz BKISPEZOFMNHSW-UYAOXDASSA-N 0 1 388.475 3.208 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000820722302 1447277533 /nfs/dbraw/zinc/27/75/33/1447277533.db2.gz HICDNZQBKYLUHR-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820722302 1447277539 /nfs/dbraw/zinc/27/75/39/1447277539.db2.gz HICDNZQBKYLUHR-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820722302 1447277543 /nfs/dbraw/zinc/27/75/43/1447277543.db2.gz HICDNZQBKYLUHR-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826177296 1447287905 /nfs/dbraw/zinc/28/79/05/1447287905.db2.gz BVHRSAZAHJYOPQ-GFCCVEGCSA-N 0 1 385.493 3.457 20 0 GGADMN Cc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826297670 1447294390 /nfs/dbraw/zinc/29/43/90/1447294390.db2.gz OOEQDDRQIULUCB-INIZCTEOSA-N 0 1 388.475 3.291 20 0 GGADMN Cc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826297670 1447294394 /nfs/dbraw/zinc/29/43/94/1447294394.db2.gz OOEQDDRQIULUCB-INIZCTEOSA-N 0 1 388.475 3.291 20 0 GGADMN Cn1cc(C[NH2+]Cc2ccc3ncccc3c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361665 1447301801 /nfs/dbraw/zinc/30/18/01/1447301801.db2.gz HZRQAOOTHIIMEN-UHFFFAOYSA-N 0 1 396.458 3.105 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C[C@H]1CCCCO1 ZINC000821109520 1447310356 /nfs/dbraw/zinc/31/03/56/1447310356.db2.gz LGBGZCAXJCNCNS-OAHLLOKOSA-N 0 1 381.427 3.249 20 0 GGADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764053 1447316930 /nfs/dbraw/zinc/31/69/30/1447316930.db2.gz RXCLEIZGWXZRBD-CYBMUJFWSA-N 0 1 382.516 3.095 20 0 GGADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764053 1447316935 /nfs/dbraw/zinc/31/69/35/1447316935.db2.gz RXCLEIZGWXZRBD-CYBMUJFWSA-N 0 1 382.516 3.095 20 0 GGADMN C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764053 1447316939 /nfs/dbraw/zinc/31/69/39/1447316939.db2.gz RXCLEIZGWXZRBD-CYBMUJFWSA-N 0 1 382.516 3.095 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000735904064 1447321790 /nfs/dbraw/zinc/32/17/90/1447321790.db2.gz KTXCQUXLFNNODE-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735904064 1447321795 /nfs/dbraw/zinc/32/17/95/1447321795.db2.gz KTXCQUXLFNNODE-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN O[C@@H](c1ccccc1)C1(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826504855 1447325227 /nfs/dbraw/zinc/32/52/27/1447325227.db2.gz GREJHQCCOPCGGS-UXHICEINSA-N 0 1 375.476 3.348 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000821650142 1447336322 /nfs/dbraw/zinc/33/63/22/1447336322.db2.gz LCJRHSZDZAFAND-FMEYXAORSA-N 0 1 395.438 3.098 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000821650142 1447336330 /nfs/dbraw/zinc/33/63/30/1447336330.db2.gz LCJRHSZDZAFAND-FMEYXAORSA-N 0 1 395.438 3.098 20 0 GGADMN OC1CC[NH+](Cc2ccccc2CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000823707015 1449008853 /nfs/dbraw/zinc/00/88/53/1449008853.db2.gz USYDDVBHROZRMP-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826191886 1449017632 /nfs/dbraw/zinc/01/76/32/1449017632.db2.gz SNOXQLMWCDVDSU-QWHCGFSZSA-N 0 1 385.443 3.305 20 0 GGADMN CCCC[N@@H+](CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825285081 1449020206 /nfs/dbraw/zinc/02/02/06/1449020206.db2.gz ISSCNNUXJAMSHN-UHFFFAOYSA-N 0 1 391.541 3.075 20 0 GGADMN CCCC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825285081 1449020210 /nfs/dbraw/zinc/02/02/10/1449020210.db2.gz ISSCNNUXJAMSHN-UHFFFAOYSA-N 0 1 391.541 3.075 20 0 GGADMN CCCC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825285081 1449020216 /nfs/dbraw/zinc/02/02/16/1449020216.db2.gz ISSCNNUXJAMSHN-UHFFFAOYSA-N 0 1 391.541 3.075 20 0 GGADMN CC[N@@H+]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454186 1449025963 /nfs/dbraw/zinc/02/59/63/1449025963.db2.gz ZPGBCYRUSJXPOX-HZPDHXFCSA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@H+]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454186 1449025967 /nfs/dbraw/zinc/02/59/67/1449025967.db2.gz ZPGBCYRUSJXPOX-HZPDHXFCSA-N 0 1 387.850 3.302 20 0 GGADMN Brc1ccc(CCNc2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)cc1 ZINC000735368094 1449027978 /nfs/dbraw/zinc/02/79/78/1449027978.db2.gz FLRQRRSGDHDDJH-UHFFFAOYSA-N 0 1 385.269 3.168 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824992115 1449029900 /nfs/dbraw/zinc/02/99/00/1449029900.db2.gz KAWIMTYEMSJDLG-KBPBESRZSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824992115 1449029903 /nfs/dbraw/zinc/02/99/03/1449029903.db2.gz KAWIMTYEMSJDLG-KBPBESRZSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824992115 1449029911 /nfs/dbraw/zinc/02/99/11/1449029911.db2.gz KAWIMTYEMSJDLG-KBPBESRZSA-N 0 1 383.887 3.014 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000737557542 1449032871 /nfs/dbraw/zinc/03/28/71/1449032871.db2.gz FVKXVZKOTPBVOH-UHFFFAOYSA-N 0 1 384.875 3.303 20 0 GGADMN Cn1cc(C[NH2+]CCc2cc3ccccc3o2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361942 1449038511 /nfs/dbraw/zinc/03/85/11/1449038511.db2.gz WXAIZYDQCOIIEU-UHFFFAOYSA-N 0 1 399.458 3.346 20 0 GGADMN CN(c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1)C1CC[NH+](C)CC1 ZINC000821622126 1449044657 /nfs/dbraw/zinc/04/46/57/1449044657.db2.gz STYGISPVJINZAJ-UHFFFAOYSA-N 0 1 383.525 3.071 20 0 GGADMN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736331530 1449051023 /nfs/dbraw/zinc/05/10/23/1449051023.db2.gz QHHQHJWZBYWSCN-ZHRRBRCNSA-N 0 1 395.507 3.332 20 0 GGADMN Cc1cc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cnc1Cl ZINC000826266251 1449056923 /nfs/dbraw/zinc/05/69/23/1449056923.db2.gz IOBXIBJQJCNZEL-UHFFFAOYSA-N 0 1 384.871 3.267 20 0 GGADMN CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820192576 1449089561 /nfs/dbraw/zinc/08/95/61/1449089561.db2.gz UWSHUUAPFUFFOD-KRWDZBQOSA-N 0 1 396.520 3.289 20 0 GGADMN CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820192576 1449089564 /nfs/dbraw/zinc/08/95/64/1449089564.db2.gz UWSHUUAPFUFFOD-KRWDZBQOSA-N 0 1 396.520 3.289 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826169418 1449091882 /nfs/dbraw/zinc/09/18/82/1449091882.db2.gz RSVSDMFJNCWPOB-RBUKOAKNSA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826169418 1449091886 /nfs/dbraw/zinc/09/18/86/1449091886.db2.gz RSVSDMFJNCWPOB-RBUKOAKNSA-N 0 1 397.454 3.103 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826169418 1449091890 /nfs/dbraw/zinc/09/18/90/1449091890.db2.gz RSVSDMFJNCWPOB-RBUKOAKNSA-N 0 1 397.454 3.103 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000822740150 1449139555 /nfs/dbraw/zinc/13/95/55/1449139555.db2.gz HGMWTVOHIDOUBV-ZDUSSCGKSA-N 0 1 386.862 3.275 20 0 GGADMN CN1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826021701 1449142833 /nfs/dbraw/zinc/14/28/33/1449142833.db2.gz DMADQMSWOJTJOS-PXAZEXFGSA-N 0 1 390.850 3.035 20 0 GGADMN Cn1cccc1C[N@@H+](C)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825980747 1449142963 /nfs/dbraw/zinc/14/29/63/1449142963.db2.gz IPZCABQXKZOCRJ-UHFFFAOYSA-N 0 1 388.475 3.416 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000737565754 1449149554 /nfs/dbraw/zinc/14/95/54/1449149554.db2.gz XGYGISPRFVOEHI-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000737565754 1449149559 /nfs/dbraw/zinc/14/95/59/1449149559.db2.gz XGYGISPRFVOEHI-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000737565754 1449149565 /nfs/dbraw/zinc/14/95/65/1449149565.db2.gz XGYGISPRFVOEHI-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(-n2ccnn2)cc1 ZINC000824547448 1449173247 /nfs/dbraw/zinc/17/32/47/1449173247.db2.gz OIVFXNNCVKJKSJ-VLIAUNLRSA-N 0 1 386.463 3.176 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736057644 1449177405 /nfs/dbraw/zinc/17/74/05/1449177405.db2.gz XVKIBHXVVHKGMC-ZDUSSCGKSA-N 0 1 384.871 3.022 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826202046 1449177847 /nfs/dbraw/zinc/17/78/47/1449177847.db2.gz MRGJENMOLSDJEL-SGTLLEGYSA-N 0 1 387.871 3.395 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000822331630 1449178661 /nfs/dbraw/zinc/17/86/61/1449178661.db2.gz IQERUCSZVIZQMX-GFCCVEGCSA-N 0 1 392.385 3.271 20 0 GGADMN C[N@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000826028481 1449186472 /nfs/dbraw/zinc/18/64/72/1449186472.db2.gz AYKXYJAKUZADLY-DZGCQCFKSA-N 0 1 389.385 3.138 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736481642 1449190486 /nfs/dbraw/zinc/19/04/86/1449190486.db2.gz RTNARWDSCLMTTO-LJQANCHMSA-N 0 1 392.463 3.104 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736481642 1449190491 /nfs/dbraw/zinc/19/04/91/1449190491.db2.gz RTNARWDSCLMTTO-LJQANCHMSA-N 0 1 392.463 3.104 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000736481642 1449190498 /nfs/dbraw/zinc/19/04/98/1449190498.db2.gz RTNARWDSCLMTTO-LJQANCHMSA-N 0 1 392.463 3.104 20 0 GGADMN Clc1ccc(-c2nnn[n-]2)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000737570338 1449203069 /nfs/dbraw/zinc/20/30/69/1449203069.db2.gz FNHWPWKGYSXIDK-SFHVURJKSA-N 0 1 384.871 3.006 20 0 GGADMN c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826520737 1449208875 /nfs/dbraw/zinc/20/88/75/1449208875.db2.gz QFXUXWQTVRCJBE-OXQOHEQNSA-N 0 1 379.464 3.003 20 0 GGADMN CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000821040378 1449212098 /nfs/dbraw/zinc/21/20/98/1449212098.db2.gz KZAOEDVVNVNYLZ-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN CCC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000821040378 1449212101 /nfs/dbraw/zinc/21/21/01/1449212101.db2.gz KZAOEDVVNVNYLZ-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000821040378 1449212104 /nfs/dbraw/zinc/21/21/04/1449212104.db2.gz KZAOEDVVNVNYLZ-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)[C@@H](C)CO2)c1 ZINC000822231640 1449215817 /nfs/dbraw/zinc/21/58/17/1449215817.db2.gz BKQFOBFJODZYFN-UWJYYQICSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@@H+](CCOc3cccc(-c4nnn[n-]4)c3)[C@@H](C)CO2)c1 ZINC000822231640 1449215824 /nfs/dbraw/zinc/21/58/24/1449215824.db2.gz BKQFOBFJODZYFN-UWJYYQICSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351193 1449221457 /nfs/dbraw/zinc/22/14/57/1449221457.db2.gz LOXQMTJLMHPUKJ-OXQOHEQNSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351193 1449221464 /nfs/dbraw/zinc/22/14/64/1449221464.db2.gz LOXQMTJLMHPUKJ-OXQOHEQNSA-N 0 1 379.464 3.016 20 0 GGADMN CC1(O)CCC([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000820623401 1449266918 /nfs/dbraw/zinc/26/69/18/1449266918.db2.gz OUWGUFQORAQVNH-UHFFFAOYSA-N 0 1 393.491 3.229 20 0 GGADMN c1ccc2nc(NCC3CCN(c4cc[nH+]cc4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000826524252 1449268714 /nfs/dbraw/zinc/26/87/14/1449268714.db2.gz OIGXOHYBYTVMHW-UHFFFAOYSA-N 0 1 386.463 3.138 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736413517 1449278504 /nfs/dbraw/zinc/27/85/04/1449278504.db2.gz ZLIPDMYXTYOJLO-GOSISDBHSA-N 0 1 379.464 3.264 20 0 GGADMN Cc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826284313 1449290649 /nfs/dbraw/zinc/29/06/49/1449290649.db2.gz PZIFKDXUDXYJTB-HXUWFJFHSA-N 0 1 391.454 3.350 20 0 GGADMN Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CCC2 ZINC000826376298 1449295310 /nfs/dbraw/zinc/29/53/10/1449295310.db2.gz WYVDNERWAKKENM-LJQANCHMSA-N 0 1 393.470 3.037 20 0 GGADMN CC[C@@H]1COCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825218058 1449296161 /nfs/dbraw/zinc/29/61/61/1449296161.db2.gz BHBGQDIANAWWAW-GOSISDBHSA-N 0 1 379.464 3.057 20 0 GGADMN CC[C@@H]1COCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825218058 1449296165 /nfs/dbraw/zinc/29/61/65/1449296165.db2.gz BHBGQDIANAWWAW-GOSISDBHSA-N 0 1 379.464 3.057 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820137658 1449297052 /nfs/dbraw/zinc/29/70/52/1449297052.db2.gz NERODAVIDQBPFH-AWEZNQCLSA-N 0 1 379.468 3.247 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820294129 1449297951 /nfs/dbraw/zinc/29/79/51/1449297951.db2.gz RCZHUBAOSREERR-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN CCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)c2C1 ZINC000736480729 1449324069 /nfs/dbraw/zinc/32/40/69/1449324069.db2.gz LTZVPAQFEMPYMD-AWEZNQCLSA-N 0 1 391.479 3.031 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000736198751 1449341988 /nfs/dbraw/zinc/34/19/88/1449341988.db2.gz UGOFVDIDQSSGPL-MRXNPFEDSA-N 0 1 382.512 3.042 20 0 GGADMN CC1(C)c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824816824 1449351489 /nfs/dbraw/zinc/35/14/89/1449351489.db2.gz IORFWCAGEPOEDH-UHFFFAOYSA-N 0 1 387.447 3.210 20 0 GGADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824816824 1449351496 /nfs/dbraw/zinc/35/14/96/1449351496.db2.gz IORFWCAGEPOEDH-UHFFFAOYSA-N 0 1 387.447 3.210 20 0 GGADMN O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737874427 1449353595 /nfs/dbraw/zinc/35/35/95/1449353595.db2.gz CGQDVQUNHFQTIH-LBPRGKRZSA-N 0 1 388.884 3.010 20 0 GGADMN O=C(C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737874427 1449353599 /nfs/dbraw/zinc/35/35/99/1449353599.db2.gz CGQDVQUNHFQTIH-LBPRGKRZSA-N 0 1 388.884 3.010 20 0 GGADMN S=C(Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738408098 1449357202 /nfs/dbraw/zinc/35/72/02/1449357202.db2.gz KNIBSBKSCNIWSF-MRXNPFEDSA-N 0 1 399.568 3.152 20 0 GGADMN c1ccc([C@@H]([NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)C2CCOCC2)cc1 ZINC000826520286 1449367398 /nfs/dbraw/zinc/36/73/98/1449367398.db2.gz FFZBXDBBDQIXJX-OAQYLSRUSA-N 0 1 393.491 3.393 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)c2c1 ZINC000822195590 1449387378 /nfs/dbraw/zinc/38/73/78/1449387378.db2.gz XMSTVJFURVCIBZ-RISCZKNCSA-N 0 1 392.385 3.188 20 0 GGADMN FC(F)(F)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c(-c2nnn[n-]2)c1 ZINC000822729258 1449403592 /nfs/dbraw/zinc/40/35/92/1449403592.db2.gz YOPITBHIBLJFRI-UHFFFAOYSA-N 0 1 389.385 3.493 20 0 GGADMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735691423 1449412764 /nfs/dbraw/zinc/41/27/64/1449412764.db2.gz DJTQGUUJKQXEFR-IBGZPJMESA-N 0 1 392.479 3.035 20 0 GGADMN c1c(C[N@H+]2CCS[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738427621 1449412999 /nfs/dbraw/zinc/41/29/99/1449412999.db2.gz JQRKMYDCWFYLLW-SFHVURJKSA-N 0 1 376.489 3.410 20 0 GGADMN c1c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738427621 1449413001 /nfs/dbraw/zinc/41/30/01/1449413001.db2.gz JQRKMYDCWFYLLW-SFHVURJKSA-N 0 1 376.489 3.410 20 0 GGADMN c1c(C[N@H+]2CCS[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738427621 1449413010 /nfs/dbraw/zinc/41/30/10/1449413010.db2.gz JQRKMYDCWFYLLW-SFHVURJKSA-N 0 1 376.489 3.410 20 0 GGADMN CC(C)n1ncc2cc(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)c(Cl)nc21 ZINC000735964318 1449430108 /nfs/dbraw/zinc/43/01/08/1449430108.db2.gz YDVOVVAFOGMECK-UHFFFAOYSA-N 0 1 382.859 3.136 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000821275510 1449436013 /nfs/dbraw/zinc/43/60/13/1449436013.db2.gz AMFWFWHHBFYERE-MRXNPFEDSA-N 0 1 377.496 3.182 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000826523162 1449441649 /nfs/dbraw/zinc/44/16/49/1449441649.db2.gz CTKHGSVQHYTURE-QHCPKHFHSA-N 0 1 399.502 3.385 20 0 GGADMN CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825290888 1449448222 /nfs/dbraw/zinc/44/82/22/1449448222.db2.gz JIWZPZLEAYVUBY-AWEZNQCLSA-N 0 1 396.470 3.387 20 0 GGADMN Cc1c(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822091444 1449509513 /nfs/dbraw/zinc/50/95/13/1449509513.db2.gz RGBWBNHNNWTCEA-UHFFFAOYSA-N 0 1 397.527 3.341 20 0 GGADMN CC[C@](C)([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000825044775 1449515143 /nfs/dbraw/zinc/51/51/43/1449515143.db2.gz ULOQDKXFRJAYSR-FQEVSTJZSA-N 0 1 375.436 3.332 20 0 GGADMN CC(C)(C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(Cl)c1 ZINC000735670309 1449517044 /nfs/dbraw/zinc/51/70/44/1449517044.db2.gz MWFHZMIMFJYDJH-UHFFFAOYSA-N 0 1 381.871 3.235 20 0 GGADMN CC1CCN(c2ccc(CNc3ncc(-c4nnn[n-]4)cc3Cl)c[nH+]2)CC1 ZINC000736278169 1449523634 /nfs/dbraw/zinc/52/36/34/1449523634.db2.gz DQDYEUBOZZGOJL-UHFFFAOYSA-N 0 1 384.875 3.159 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820722956 1449532163 /nfs/dbraw/zinc/53/21/63/1449532163.db2.gz SCUPHRNLNBASEC-INIZCTEOSA-N 0 1 378.480 3.199 20 0 GGADMN C[C@H]1CC[N@H+](CCOc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820722956 1449532168 /nfs/dbraw/zinc/53/21/68/1449532168.db2.gz SCUPHRNLNBASEC-INIZCTEOSA-N 0 1 378.480 3.199 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820722956 1449532174 /nfs/dbraw/zinc/53/21/74/1449532174.db2.gz SCUPHRNLNBASEC-INIZCTEOSA-N 0 1 378.480 3.199 20 0 GGADMN C[C@]1([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCCOC1 ZINC000824836726 1449535393 /nfs/dbraw/zinc/53/53/93/1449535393.db2.gz BYUABCWPQNFMLO-NRFANRHFSA-N 0 1 379.464 3.104 20 0 GGADMN Cc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822059603 1449537863 /nfs/dbraw/zinc/53/78/63/1449537863.db2.gz DJYNLOUMFDPQLZ-QGZVFWFLSA-N 0 1 376.464 3.026 20 0 GGADMN Cc1c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822059603 1449537866 /nfs/dbraw/zinc/53/78/66/1449537866.db2.gz DJYNLOUMFDPQLZ-QGZVFWFLSA-N 0 1 376.464 3.026 20 0 GGADMN Cc1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822059603 1449537870 /nfs/dbraw/zinc/53/78/70/1449537870.db2.gz DJYNLOUMFDPQLZ-QGZVFWFLSA-N 0 1 376.464 3.026 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821001173 1449558295 /nfs/dbraw/zinc/55/82/95/1449558295.db2.gz PHJNMNQGXDQZTN-LJQANCHMSA-N 0 1 376.464 3.205 20 0 GGADMN CC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)Cc1ccc(OC)c(OC)c1 ZINC000821213399 1449567631 /nfs/dbraw/zinc/56/76/31/1449567631.db2.gz CDUCQOULJLTPTR-UHFFFAOYSA-N 0 1 397.479 3.175 20 0 GGADMN CC[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)c(OC)c1 ZINC000821213399 1449567636 /nfs/dbraw/zinc/56/76/36/1449567636.db2.gz CDUCQOULJLTPTR-UHFFFAOYSA-N 0 1 397.479 3.175 20 0 GGADMN CC[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)c(OC)c1 ZINC000821213399 1449567640 /nfs/dbraw/zinc/56/76/40/1449567640.db2.gz CDUCQOULJLTPTR-UHFFFAOYSA-N 0 1 397.479 3.175 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)c2c1 ZINC000822195588 1449573560 /nfs/dbraw/zinc/57/35/60/1449573560.db2.gz XMSTVJFURVCIBZ-BXUZGUMPSA-N 0 1 392.385 3.188 20 0 GGADMN CCS[C@@H]1CCCC[N@@H+](Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000736668333 1449581085 /nfs/dbraw/zinc/58/10/85/1449581085.db2.gz ZQHZMRTYOUWQRW-QGZVFWFLSA-N 0 1 383.525 3.295 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824190959 1449586062 /nfs/dbraw/zinc/58/60/62/1449586062.db2.gz BZOHKOYZDZPXBM-IBGZPJMESA-N 0 1 396.470 3.191 20 0 GGADMN C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824598235 1449590179 /nfs/dbraw/zinc/59/01/79/1449590179.db2.gz COMVVQMVPIIJQJ-GFCCVEGCSA-N 0 1 387.285 3.392 20 0 GGADMN Cc1c(Cl)cnc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1-c1nnn[n-]1 ZINC000826238803 1449605637 /nfs/dbraw/zinc/60/56/37/1449605637.db2.gz PPZDVQBFFVHUNI-OLZOCXBDSA-N 0 1 375.908 3.288 20 0 GGADMN Cc1c(Cl)cnc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1-c1nn[n-]n1 ZINC000826238803 1449605638 /nfs/dbraw/zinc/60/56/38/1449605638.db2.gz PPZDVQBFFVHUNI-OLZOCXBDSA-N 0 1 375.908 3.288 20 0 GGADMN Cc1c(Cl)cnc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1-c1nn[n-]n1 ZINC000826238803 1449605641 /nfs/dbraw/zinc/60/56/41/1449605641.db2.gz PPZDVQBFFVHUNI-OLZOCXBDSA-N 0 1 375.908 3.288 20 0 GGADMN Cc1ccc(C(=O)C2CCN(c3[nH+]c(C)ccc3-c3nnn[n-]3)CC2)c(C)c1 ZINC000826281327 1449622719 /nfs/dbraw/zinc/62/27/19/1449622719.db2.gz MZKDCGLIGLRNSK-UHFFFAOYSA-N 0 1 376.464 3.286 20 0 GGADMN CC(C)CSCCC[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824274519 1449623882 /nfs/dbraw/zinc/62/38/82/1449623882.db2.gz JDVUWAFRFGSFCE-UHFFFAOYSA-N 0 1 388.585 3.200 20 0 GGADMN Cc1c([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(Cl)cc1 ZINC000822021103 1449634340 /nfs/dbraw/zinc/63/43/40/1449634340.db2.gz VSERJPWEVNTNIO-LBPRGKRZSA-N 0 1 394.870 3.260 20 0 GGADMN C[C@@H]1CN(c2ccc(CNc3c(Cl)cccc3-c3nnn[n-]3)c[nH+]2)C[C@H](C)O1 ZINC000736290159 1449643510 /nfs/dbraw/zinc/64/35/10/1449643510.db2.gz PCJFEPSPYOCUKA-BETUJISGSA-N 0 1 399.886 3.141 20 0 GGADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736140518 1449644488 /nfs/dbraw/zinc/64/44/88/1449644488.db2.gz XDXPSDVWKDUPDT-AUUYWEPGSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736140518 1449644491 /nfs/dbraw/zinc/64/44/91/1449644491.db2.gz XDXPSDVWKDUPDT-AUUYWEPGSA-N 0 1 398.898 3.222 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824545990 1449650084 /nfs/dbraw/zinc/65/00/84/1449650084.db2.gz FZJWIUNGCHMGLZ-YXKWSERDSA-N 0 1 384.434 3.241 20 0 GGADMN CCc1cnccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825740586 1449650471 /nfs/dbraw/zinc/65/04/71/1449650471.db2.gz VLZDZVIUWNCWGB-INIZCTEOSA-N 0 1 391.523 3.139 20 0 GGADMN CS[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826226865 1449650766 /nfs/dbraw/zinc/65/07/66/1449650766.db2.gz HQZUSZUAILSIBM-IRXDYDNUSA-N 0 1 383.525 3.031 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820722276 1449652602 /nfs/dbraw/zinc/65/26/02/1449652602.db2.gz GWXVXGCEWZFDAD-OCCSQVGLSA-N 0 1 386.481 3.323 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@H](c4ccnn4C)C3)c2c1 ZINC000822195396 1449656763 /nfs/dbraw/zinc/65/67/63/1449656763.db2.gz QPNCBVFWMSBQRX-HNNXBMFYSA-N 0 1 388.479 3.149 20 0 GGADMN CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820068554 1449669169 /nfs/dbraw/zinc/66/91/69/1449669169.db2.gz RTFPHVGQVYNINH-ZDUSSCGKSA-N 0 1 376.892 3.217 20 0 GGADMN CC(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820068554 1449669174 /nfs/dbraw/zinc/66/91/74/1449669174.db2.gz RTFPHVGQVYNINH-ZDUSSCGKSA-N 0 1 376.892 3.217 20 0 GGADMN CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820068554 1449669178 /nfs/dbraw/zinc/66/91/78/1449669178.db2.gz RTFPHVGQVYNINH-ZDUSSCGKSA-N 0 1 376.892 3.217 20 0 GGADMN COc1ccc(F)cc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826209304 1449674611 /nfs/dbraw/zinc/67/46/11/1449674611.db2.gz WAZPVBDTUOFOBA-UHFFFAOYSA-N 0 1 382.443 3.091 20 0 GGADMN CC(C)N(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824288583 1449677862 /nfs/dbraw/zinc/67/78/62/1449677862.db2.gz JVYDUXUDGZEZSK-UHFFFAOYSA-N 0 1 394.479 3.071 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C[C@H](O)c1ccc(F)cc1 ZINC000735830863 1449683629 /nfs/dbraw/zinc/68/36/29/1449683629.db2.gz KMEMQECJAWZFCB-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1 ZINC000735830863 1449683634 /nfs/dbraw/zinc/68/36/34/1449683634.db2.gz KMEMQECJAWZFCB-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1 ZINC000735830863 1449683641 /nfs/dbraw/zinc/68/36/41/1449683641.db2.gz KMEMQECJAWZFCB-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000822351834 1449693348 /nfs/dbraw/zinc/69/33/48/1449693348.db2.gz RKXKDRHELKZTJT-QGZVFWFLSA-N 0 1 387.447 3.215 20 0 GGADMN Cc1cc[nH+]c(N2CCC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)c1-c1nnn[n-]1 ZINC000826311195 1449708978 /nfs/dbraw/zinc/70/89/78/1449708978.db2.gz WTBIMQPXHHFANB-INIZCTEOSA-N 0 1 390.426 3.441 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825193070 1449718684 /nfs/dbraw/zinc/71/86/84/1449718684.db2.gz JYQUPXITTXSNCY-LBPRGKRZSA-N 0 1 397.310 3.168 20 0 GGADMN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825193070 1449718688 /nfs/dbraw/zinc/71/86/88/1449718688.db2.gz JYQUPXITTXSNCY-LBPRGKRZSA-N 0 1 397.310 3.168 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825193070 1449718692 /nfs/dbraw/zinc/71/86/92/1449718692.db2.gz JYQUPXITTXSNCY-LBPRGKRZSA-N 0 1 397.310 3.168 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000737647572 1449722889 /nfs/dbraw/zinc/72/28/89/1449722889.db2.gz GRJCWWBRFQJXKJ-NSHDSACASA-N 0 1 395.364 3.127 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000737647572 1449722891 /nfs/dbraw/zinc/72/28/91/1449722891.db2.gz GRJCWWBRFQJXKJ-NSHDSACASA-N 0 1 395.364 3.127 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000737647572 1449722894 /nfs/dbraw/zinc/72/28/94/1449722894.db2.gz GRJCWWBRFQJXKJ-NSHDSACASA-N 0 1 395.364 3.127 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821805859 1449732588 /nfs/dbraw/zinc/73/25/88/1449732588.db2.gz WYQRVMSTUZEOCX-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1-c1nnn[n-]1 ZINC000736797745 1449733777 /nfs/dbraw/zinc/73/37/77/1449733777.db2.gz KRWFKUWUVYEWKT-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1-c1nn[n-]n1 ZINC000736797745 1449733782 /nfs/dbraw/zinc/73/37/82/1449733782.db2.gz KRWFKUWUVYEWKT-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1-c1nn[n-]n1 ZINC000736797745 1449733786 /nfs/dbraw/zinc/73/37/86/1449733786.db2.gz KRWFKUWUVYEWKT-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270344 1449737028 /nfs/dbraw/zinc/73/70/28/1449737028.db2.gz CIMHRFRPJGSZQV-HRAATJIYSA-N 0 1 395.507 3.218 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(C(=O)N3CCCCC3)cc2)[nH+]1 ZINC000822192877 1449781677 /nfs/dbraw/zinc/78/16/77/1449781677.db2.gz DRDHWJSRHOFEBZ-UHFFFAOYSA-N 0 1 391.479 3.117 20 0 GGADMN C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824532484 1449820021 /nfs/dbraw/zinc/82/00/21/1449820021.db2.gz UTUDUQIJCYSJFB-YWZLYKJASA-N 0 1 380.471 3.494 20 0 GGADMN Clc1ccccc1OCC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737585049 1449820780 /nfs/dbraw/zinc/82/07/80/1449820780.db2.gz XIVWYFVTCYRPAI-UHFFFAOYSA-N 0 1 399.882 3.442 20 0 GGADMN Cc1cc([C@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCO2)ccc1F ZINC000826266346 1449826908 /nfs/dbraw/zinc/82/69/08/1449826908.db2.gz MBBQCHJEVDGCOC-LJQANCHMSA-N 0 1 394.454 3.166 20 0 GGADMN Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822028642 1449834646 /nfs/dbraw/zinc/83/46/46/1449834646.db2.gz RHWMPBISBXWBDQ-UHFFFAOYSA-N 0 1 398.511 3.475 20 0 GGADMN Fc1ccc2oc(C[N@@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826375740 1449837087 /nfs/dbraw/zinc/83/70/87/1449837087.db2.gz ADPZWNAHBNQIIY-IBGZPJMESA-N 0 1 379.395 3.326 20 0 GGADMN Fc1ccc2oc(C[N@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826375740 1449837092 /nfs/dbraw/zinc/83/70/92/1449837092.db2.gz ADPZWNAHBNQIIY-IBGZPJMESA-N 0 1 379.395 3.326 20 0 GGADMN CC(C)COc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000824272393 1449877524 /nfs/dbraw/zinc/87/75/24/1449877524.db2.gz WXCOOKFOMRJNTA-OAQYLSRUSA-N 0 1 393.491 3.475 20 0 GGADMN CC(C)COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000824272393 1449877528 /nfs/dbraw/zinc/87/75/28/1449877528.db2.gz WXCOOKFOMRJNTA-OAQYLSRUSA-N 0 1 393.491 3.475 20 0 GGADMN CCC[N@@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825322629 1449878067 /nfs/dbraw/zinc/87/80/67/1449878067.db2.gz GTKROEUIMAKCCY-HNNXBMFYSA-N 0 1 394.479 3.115 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826181674 1449885275 /nfs/dbraw/zinc/88/52/75/1449885275.db2.gz JWOBVETZJQLAOC-RXVVDRJESA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826181674 1449885280 /nfs/dbraw/zinc/88/52/80/1449885280.db2.gz JWOBVETZJQLAOC-RXVVDRJESA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000826181674 1449885284 /nfs/dbraw/zinc/88/52/84/1449885284.db2.gz JWOBVETZJQLAOC-RXVVDRJESA-N 0 1 393.491 3.475 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000824103428 1449896052 /nfs/dbraw/zinc/89/60/52/1449896052.db2.gz ABLVMMPDWNYPSP-KRWDZBQOSA-N 0 1 398.511 3.235 20 0 GGADMN CC[NH+](CC)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccsc1 ZINC000736534120 1449912982 /nfs/dbraw/zinc/91/29/82/1449912982.db2.gz MIVFGZKQHWZAEX-MRXNPFEDSA-N 0 1 394.508 3.366 20 0 GGADMN CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825654343 1449915405 /nfs/dbraw/zinc/91/54/05/1449915405.db2.gz XXCHQNKIXZEUPR-OAHLLOKOSA-N 0 1 398.467 3.155 20 0 GGADMN Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000822228965 1449928668 /nfs/dbraw/zinc/92/86/68/1449928668.db2.gz JTYRZMPITKDRSJ-INIZCTEOSA-N 0 1 377.496 3.198 20 0 GGADMN CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825204461 1449940070 /nfs/dbraw/zinc/94/00/70/1449940070.db2.gz RBMNSNCDXFQPNH-YSGRDPCXSA-N 0 1 396.539 3.117 20 0 GGADMN C[NH+](C)CCCC1CCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1 ZINC000825860057 1449953336 /nfs/dbraw/zinc/95/33/36/1449953336.db2.gz LEYXQKGSSJCWHX-UHFFFAOYSA-N 0 1 382.434 3.444 20 0 GGADMN COc1sc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826222432 1449963683 /nfs/dbraw/zinc/96/36/83/1449963683.db2.gz WOECXXMVQJWEQI-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1sc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826222432 1449963689 /nfs/dbraw/zinc/96/36/89/1449963689.db2.gz WOECXXMVQJWEQI-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000820862961 1450013356 /nfs/dbraw/zinc/01/33/56/1450013356.db2.gz SDURRUXURDBNOJ-CQSZACIVSA-N 0 1 394.479 3.150 20 0 GGADMN Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000737639223 1450014208 /nfs/dbraw/zinc/01/42/08/1450014208.db2.gz MXFZAEFQIQTOBG-UHFFFAOYSA-N 0 1 398.461 3.290 20 0 GGADMN Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000737639223 1450014217 /nfs/dbraw/zinc/01/42/17/1450014217.db2.gz MXFZAEFQIQTOBG-UHFFFAOYSA-N 0 1 398.461 3.290 20 0 GGADMN Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000737639223 1450014223 /nfs/dbraw/zinc/01/42/23/1450014223.db2.gz MXFZAEFQIQTOBG-UHFFFAOYSA-N 0 1 398.461 3.290 20 0 GGADMN Cc1cc[nH+]c(N(CCc2ccccn2)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826309183 1450026074 /nfs/dbraw/zinc/02/60/74/1450026074.db2.gz GMPYKPMYTVWUHW-UHFFFAOYSA-N 0 1 389.438 3.354 20 0 GGADMN c1cnc2ccc(C[NH+]3CCC(Oc4ccc(-c5nn[n-]n5)cc4)CC3)cc2c1 ZINC000826525430 1450027051 /nfs/dbraw/zinc/02/70/51/1450027051.db2.gz KGRYSMWHHUVPHJ-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890705 1450032214 /nfs/dbraw/zinc/03/22/14/1450032214.db2.gz OLEDMXWEJBFHLX-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822350715 1450042925 /nfs/dbraw/zinc/04/29/25/1450042925.db2.gz GDNLWCQRVWVICE-QGZVFWFLSA-N 0 1 387.447 3.215 20 0 GGADMN CC(C)[NH2+][C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000735889006 1450052525 /nfs/dbraw/zinc/05/25/25/1450052525.db2.gz VAMLMXZZUMDHKC-LLVKDONJSA-N 0 1 389.866 3.174 20 0 GGADMN O=C(CC[NH+]1CCC2(CC2)CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826407557 1450082565 /nfs/dbraw/zinc/08/25/65/1450082565.db2.gz SCGIBDCPHKTEJM-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN C[C@@](CO)([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000736038291 1450089215 /nfs/dbraw/zinc/08/92/15/1450089215.db2.gz UBODVLVPFUPYCF-KRWDZBQOSA-N 0 1 395.360 3.022 20 0 GGADMN Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826329006 1450103231 /nfs/dbraw/zinc/10/32/31/1450103231.db2.gz MQBFJJIBGSZHOH-ZDUSSCGKSA-N 0 1 379.443 3.405 20 0 GGADMN C[C@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)C[C@H](c2ccsc2)O1 ZINC000820768863 1450104555 /nfs/dbraw/zinc/10/45/55/1450104555.db2.gz QJHBXXOWFQXKSI-YVEFUNNKSA-N 0 1 378.461 3.443 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000826182795 1450105455 /nfs/dbraw/zinc/10/54/55/1450105455.db2.gz UKVWOPZJZALAFO-QRWLVFNGSA-N 0 1 379.464 3.146 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000826182795 1450105457 /nfs/dbraw/zinc/10/54/57/1450105457.db2.gz UKVWOPZJZALAFO-QRWLVFNGSA-N 0 1 379.464 3.146 20 0 GGADMN C[C@H]1C[NH+](Cc2ccccc2NCc2cc(-c3nnn[n-]3)ccc2F)C[C@H](C)O1 ZINC000820759177 1450113895 /nfs/dbraw/zinc/11/38/95/1450113895.db2.gz IIRYEDVGOYLHBO-GJZGRUSLSA-N 0 1 396.470 3.227 20 0 GGADMN O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000823347499 1450114174 /nfs/dbraw/zinc/11/41/74/1450114174.db2.gz YORHHJLLGQMREJ-UHFFFAOYSA-N 0 1 380.427 3.244 20 0 GGADMN C[C@H]1C[C@@H](N(C)Cc2cccc(-c3nn[n-]n3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885627 1450127152 /nfs/dbraw/zinc/12/71/52/1450127152.db2.gz TXCYYWIWJCBAOR-LPHOPBHVSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000824885627 1450127156 /nfs/dbraw/zinc/12/71/56/1450127156.db2.gz TXCYYWIWJCBAOR-LPHOPBHVSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885627 1450127161 /nfs/dbraw/zinc/12/71/61/1450127161.db2.gz TXCYYWIWJCBAOR-LPHOPBHVSA-N 0 1 394.498 3.491 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001139089526 1450135312 /nfs/dbraw/zinc/13/53/12/1450135312.db2.gz OSOUVTHVEHWYFD-NRFANRHFSA-N 0 1 398.511 3.232 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736233716 1450138883 /nfs/dbraw/zinc/13/88/83/1450138883.db2.gz GZUOAGFOGBSXRJ-RHSMWYFYSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736233716 1450138887 /nfs/dbraw/zinc/13/88/87/1450138887.db2.gz GZUOAGFOGBSXRJ-RHSMWYFYSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736233716 1450138889 /nfs/dbraw/zinc/13/88/89/1450138889.db2.gz GZUOAGFOGBSXRJ-RHSMWYFYSA-N 0 1 394.454 3.212 20 0 GGADMN COc1sc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826222340 1450145171 /nfs/dbraw/zinc/14/51/71/1450145171.db2.gz SYXCNMYRJBZCOG-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN COc1sc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826222340 1450145174 /nfs/dbraw/zinc/14/51/74/1450145174.db2.gz SYXCNMYRJBZCOG-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000824305864 1450149263 /nfs/dbraw/zinc/14/92/63/1450149263.db2.gz VTCBYQZWLFFONT-KRWDZBQOSA-N 0 1 383.427 3.178 20 0 GGADMN C[C@](CO)([NH2+]Cc1cccc(-c2nnn[n-]2)c1F)c1cccc(C(F)(F)F)c1 ZINC000824436179 1450149951 /nfs/dbraw/zinc/14/99/51/1450149951.db2.gz QDJYOYUSZSSYLX-QGZVFWFLSA-N 0 1 395.360 3.022 20 0 GGADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642358 1450169089 /nfs/dbraw/zinc/16/90/89/1450169089.db2.gz IDBYMGNOTBQDFX-KBXCAEBGSA-N 0 1 387.447 3.295 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000735559963 1450204997 /nfs/dbraw/zinc/20/49/97/1450204997.db2.gz BCEPAWYLLXELHB-AEFFLSMTSA-N 0 1 390.491 3.463 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@]4(O)CCCC[C@H]4C3)c2c1 ZINC000822195062 1450221138 /nfs/dbraw/zinc/22/11/38/1450221138.db2.gz FXZUMPGVOJSDLS-BTYIYWSLSA-N 0 1 378.480 3.163 20 0 GGADMN O=C(CC[NH+]1CCC(c2ccccc2F)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000737837580 1450235233 /nfs/dbraw/zinc/23/52/33/1450235233.db2.gz IPFWZCIRTMXFLH-UHFFFAOYSA-N 0 1 394.454 3.214 20 0 GGADMN Cc1c([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nnn1-c1cccc(Cl)c1 ZINC000822020862 1450240327 /nfs/dbraw/zinc/24/03/27/1450240327.db2.gz LKLKIUKMQQQSNS-LBPRGKRZSA-N 0 1 394.870 3.260 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822964858 1450240618 /nfs/dbraw/zinc/24/06/18/1450240618.db2.gz RAKNTOVFVJCCRZ-TZMCWYRMSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822964858 1450240623 /nfs/dbraw/zinc/24/06/23/1450240623.db2.gz RAKNTOVFVJCCRZ-TZMCWYRMSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822964858 1450240627 /nfs/dbraw/zinc/24/06/27/1450240627.db2.gz RAKNTOVFVJCCRZ-TZMCWYRMSA-N 0 1 386.525 3.010 20 0 GGADMN CCOc1ccc(C2(C[NH2+]Cc3cc(-c4nn[n-]n4)cs3)CCOCC2)cc1 ZINC000821416773 1450241366 /nfs/dbraw/zinc/24/13/66/1450241366.db2.gz DIOTWJMMUBTEDI-UHFFFAOYSA-N 0 1 399.520 3.165 20 0 GGADMN CN(CCCC[NH+](C)C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825860759 1450246775 /nfs/dbraw/zinc/24/67/75/1450246775.db2.gz VWIHGMDVKNEBIL-UHFFFAOYSA-N 0 1 394.479 3.073 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826193038 1450253781 /nfs/dbraw/zinc/25/37/81/1450253781.db2.gz NJOGLBNJPVZRMN-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822996453 1450273778 /nfs/dbraw/zinc/27/37/78/1450273778.db2.gz DVNIDMRSATVWGK-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN O=C(C[N@H+]1CCC2(CCC2)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822996453 1450273779 /nfs/dbraw/zinc/27/37/79/1450273779.db2.gz DVNIDMRSATVWGK-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN C[C@@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000824598069 1450301309 /nfs/dbraw/zinc/30/13/09/1450301309.db2.gz BABXYCOFEUNSEN-GFCCVEGCSA-N 0 1 375.379 3.198 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000819877703 1450306373 /nfs/dbraw/zinc/30/63/73/1450306373.db2.gz ZYYJHGRTWYECLS-JFIYKMOQSA-N 0 1 390.491 3.147 20 0 GGADMN C[C@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824599498 1450313331 /nfs/dbraw/zinc/31/33/31/1450313331.db2.gz PSSAQODHCAPBRY-LBPRGKRZSA-N 0 1 375.379 3.198 20 0 GGADMN CC[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736400156 1450313969 /nfs/dbraw/zinc/31/39/69/1450313969.db2.gz MOGMBIFPIMZAPG-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736400156 1450313972 /nfs/dbraw/zinc/31/39/72/1450313972.db2.gz MOGMBIFPIMZAPG-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736400156 1450313976 /nfs/dbraw/zinc/31/39/76/1450313976.db2.gz MOGMBIFPIMZAPG-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917155 1450318802 /nfs/dbraw/zinc/31/88/02/1450318802.db2.gz MEVIBNZYDKJHHP-VFNWGFHPSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@@H]1CC[C@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917155 1450318807 /nfs/dbraw/zinc/31/88/07/1450318807.db2.gz MEVIBNZYDKJHHP-VFNWGFHPSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917155 1450318812 /nfs/dbraw/zinc/31/88/12/1450318812.db2.gz MEVIBNZYDKJHHP-VFNWGFHPSA-N 0 1 377.496 3.279 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000822505697 1450325612 /nfs/dbraw/zinc/32/56/12/1450325612.db2.gz RMPNUZUSCROZSE-SFHVURJKSA-N 0 1 380.500 3.292 20 0 GGADMN c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(-c4nn[n-]n4)c2)C3)cc1 ZINC001139855115 1450328350 /nfs/dbraw/zinc/32/83/50/1450328350.db2.gz SIZLWJPHFSUBPD-HSZRJFAPSA-N 0 1 388.519 3.355 20 0 GGADMN CCC[N@H+](Cc1cc(-c2nnn[n-]2)ccc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000825313490 1450345792 /nfs/dbraw/zinc/34/57/92/1450345792.db2.gz HHNMRXDYMUXLOY-OAHLLOKOSA-N 0 1 394.479 3.115 20 0 GGADMN CCC[N@@H+](Cc1cc(-c2nnn[n-]2)ccc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000825313490 1450345796 /nfs/dbraw/zinc/34/57/96/1450345796.db2.gz HHNMRXDYMUXLOY-OAHLLOKOSA-N 0 1 394.479 3.115 20 0 GGADMN C[C@H]([NH2+]Cc1cc(-c2nn[n-]n2)cs1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820426573 1450346778 /nfs/dbraw/zinc/34/67/78/1450346778.db2.gz LUHHMIPSZHGRDX-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN Cc1cccc2c(NC[C@@H](O)c3c(F)cccc3Cl)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822334823 1450347109 /nfs/dbraw/zinc/34/71/09/1450347109.db2.gz HPOFUYUWLQNYIV-OAHLLOKOSA-N 0 1 398.829 3.083 20 0 GGADMN C[C@@H]([NH2+]CCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824598797 1450359079 /nfs/dbraw/zinc/35/90/79/1450359079.db2.gz JGQHABBISJPZBV-GFCCVEGCSA-N 0 1 388.269 3.359 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc([S@](C)=O)cc1 ZINC000824545461 1450360171 /nfs/dbraw/zinc/36/01/71/1450360171.db2.gz CPVNVXZHIVGONQ-VOWXSVNXSA-N 0 1 381.505 3.332 20 0 GGADMN Cc1ccc(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(OC(C)(C)C)c1 ZINC000822238616 1450366658 /nfs/dbraw/zinc/36/66/58/1450366658.db2.gz OFNPYVOEPQTVHW-UHFFFAOYSA-N 0 1 391.479 3.290 20 0 GGADMN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139092693 1450368632 /nfs/dbraw/zinc/36/86/32/1450368632.db2.gz FMQLGNHGWZOEDY-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139092693 1450368636 /nfs/dbraw/zinc/36/86/36/1450368636.db2.gz FMQLGNHGWZOEDY-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139092693 1450368641 /nfs/dbraw/zinc/36/86/41/1450368641.db2.gz FMQLGNHGWZOEDY-QGZVFWFLSA-N 0 1 386.500 3.088 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)cc1-c1nn[n-]n1 ZINC000826203088 1450379982 /nfs/dbraw/zinc/37/99/82/1450379982.db2.gz YNCNUSIVEDONIM-GOSISDBHSA-N 0 1 392.507 3.018 20 0 GGADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821505405 1450386204 /nfs/dbraw/zinc/38/62/04/1450386204.db2.gz PVMRBXWSCNILBX-CYBMUJFWSA-N 0 1 399.524 3.216 20 0 GGADMN C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419335 1450394713 /nfs/dbraw/zinc/39/47/13/1450394713.db2.gz GJMFAUVDAPAWLK-AWEZNQCLSA-N 0 1 379.464 3.266 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824600184 1450396661 /nfs/dbraw/zinc/39/66/61/1450396661.db2.gz XLKUDLSCPFRHTE-GFCCVEGCSA-N 0 1 388.269 3.359 20 0 GGADMN C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585035 1450400624 /nfs/dbraw/zinc/40/06/24/1450400624.db2.gz MCTJJIYNDKQMLS-ZDUSSCGKSA-N 0 1 382.434 3.182 20 0 GGADMN CCC[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736416459 1450413866 /nfs/dbraw/zinc/41/38/66/1450413866.db2.gz NVDFHWITATUTJK-NRFANRHFSA-N 0 1 381.480 3.086 20 0 GGADMN C[C@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000820761878 1450465788 /nfs/dbraw/zinc/46/57/88/1450465788.db2.gz ZYUQYUYZXAKDHG-OXJNMPFZSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000820761878 1450465791 /nfs/dbraw/zinc/46/57/91/1450465791.db2.gz ZYUQYUYZXAKDHG-OXJNMPFZSA-N 0 1 379.464 3.098 20 0 GGADMN CCSCC[C@H](C)[N@@H+](C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825668427 1450474947 /nfs/dbraw/zinc/47/49/47/1450474947.db2.gz FVRIOJGSNAQNGG-AWEZNQCLSA-N 0 1 385.541 3.324 20 0 GGADMN CCSCC[C@H](C)[N@H+](C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825668427 1450474949 /nfs/dbraw/zinc/47/49/49/1450474949.db2.gz FVRIOJGSNAQNGG-AWEZNQCLSA-N 0 1 385.541 3.324 20 0 GGADMN CCSCC[C@H](C)[N@@H+](C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825668427 1450474952 /nfs/dbraw/zinc/47/49/52/1450474952.db2.gz FVRIOJGSNAQNGG-AWEZNQCLSA-N 0 1 385.541 3.324 20 0 GGADMN CC(C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000824244809 1450484706 /nfs/dbraw/zinc/48/47/06/1450484706.db2.gz UKNYCFMFDNKTRJ-KRWDZBQOSA-N 0 1 393.557 3.081 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323112 1450486708 /nfs/dbraw/zinc/48/67/08/1450486708.db2.gz ORLVUSVDKTWKFP-ZDUSSCGKSA-N 0 1 392.529 3.150 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323112 1450486710 /nfs/dbraw/zinc/48/67/10/1450486710.db2.gz ORLVUSVDKTWKFP-ZDUSSCGKSA-N 0 1 392.529 3.150 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323112 1450486713 /nfs/dbraw/zinc/48/67/13/1450486713.db2.gz ORLVUSVDKTWKFP-ZDUSSCGKSA-N 0 1 392.529 3.150 20 0 GGADMN CC(C)c1[nH+]ccn1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824364385 1450487959 /nfs/dbraw/zinc/48/79/59/1450487959.db2.gz DNTMLJMLHFXIHG-UHFFFAOYSA-N 0 1 385.497 3.156 20 0 GGADMN OCCC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000823717275 1450493526 /nfs/dbraw/zinc/49/35/26/1450493526.db2.gz CVCWRVNHVXWHCX-UHFFFAOYSA-N 0 1 393.491 3.088 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569298 1450494485 /nfs/dbraw/zinc/49/44/85/1450494485.db2.gz GQGGNNJLYRVZAD-MGPLVRAMSA-N 0 1 395.360 3.409 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000826182939 1450503342 /nfs/dbraw/zinc/50/33/42/1450503342.db2.gz YTYMBCZSAAEJBR-LJQANCHMSA-N 0 1 379.464 3.227 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000826182939 1450503347 /nfs/dbraw/zinc/50/33/47/1450503347.db2.gz YTYMBCZSAAEJBR-LJQANCHMSA-N 0 1 379.464 3.227 20 0 GGADMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164640992 719215992 /nfs/dbraw/zinc/21/59/92/719215992.db2.gz ULMGOPHZQHIGGN-NWDGAFQWSA-N 0 1 396.919 3.394 20 0 GGADMN C[C@@H]1CN(c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)[C@H](C)CN1C ZINC001164640997 719217926 /nfs/dbraw/zinc/21/79/26/719217926.db2.gz ULMGOPHZQHIGGN-VXGBXAGGSA-N 0 1 396.919 3.394 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001164645998 719305821 /nfs/dbraw/zinc/30/58/21/719305821.db2.gz ATGGPPPHIKDICC-GMBSWORKSA-N 0 1 377.916 3.072 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@H]21 ZINC001164668820 719392194 /nfs/dbraw/zinc/39/21/94/719392194.db2.gz SDKZLZHBDYLYOG-RTBURBONSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001164671922 719402141 /nfs/dbraw/zinc/40/21/41/719402141.db2.gz ZXEDDTSXNMSJRO-OALUTQOASA-N 0 1 380.879 3.469 20 0 GGADMN COc1ccc2c(c1)nc(N1C[C@@H]3OCCN(C)[C@H]3C1)cc2-c1ccccc1 ZINC001164667090 719442353 /nfs/dbraw/zinc/44/23/53/719442353.db2.gz FJGUZVKDPWTBRS-VXKWHMMOSA-N 0 1 375.472 3.430 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164673782 719443749 /nfs/dbraw/zinc/44/37/49/719443749.db2.gz ULMKGKGLIVVOAY-UONOGXRCSA-N 0 1 398.557 3.428 20 0 GGADMN CN1CCO[C@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)C[C@H]21 ZINC001164669410 719458495 /nfs/dbraw/zinc/45/84/95/719458495.db2.gz UMDCTIGTXLFZBK-MSOLQXFVSA-N 0 1 378.501 3.391 20 0 GGADMN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000153154954 719463256 /nfs/dbraw/zinc/46/32/56/719463256.db2.gz UUUMBAUOPMBIQB-DLBZAZTESA-N 0 1 396.516 3.024 20 0 GGADMN CN1CCO[C@@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)C[C@@H]21 ZINC001164666248 719469532 /nfs/dbraw/zinc/46/95/32/719469532.db2.gz CNLJZHCCPULMIO-FCHUYYIVSA-N 0 1 388.471 3.455 20 0 GGADMN CN1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C[C@@H]21 ZINC001164666540 719480402 /nfs/dbraw/zinc/48/04/02/719480402.db2.gz DCPSPKWGKISUMG-GJZGRUSLSA-N 0 1 381.263 3.095 20 0 GGADMN CN1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C[C@H]21 ZINC001164666538 719480743 /nfs/dbraw/zinc/48/07/43/719480743.db2.gz DCPSPKWGKISUMG-CABCVRRESA-N 0 1 381.263 3.095 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@H](C(=O)N2CCCC2)C[C@H]2OCC[C@@H]21 ZINC001164678115 719546885 /nfs/dbraw/zinc/54/68/85/719546885.db2.gz JFHNHESJNRSGKC-HYVNUMGLSA-N 0 1 377.916 3.072 20 0 GGADMN COC(=O)c1ccnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164692712 719803825 /nfs/dbraw/zinc/80/38/25/719803825.db2.gz OVSIPPOGZRLFHG-UHFFFAOYSA-N 0 1 386.521 3.268 20 0 GGADMN COC(=O)c1cccnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164693323 719805199 /nfs/dbraw/zinc/80/51/99/719805199.db2.gz SARIIRWIGKQDQP-UHFFFAOYSA-N 0 1 386.521 3.268 20 0 GGADMN CC(=O)Nc1cccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164694391 719808544 /nfs/dbraw/zinc/80/85/44/719808544.db2.gz WUPGBVAGNDXOSI-UHFFFAOYSA-N 0 1 385.537 3.440 20 0 GGADMN COCOc1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164694072 719809053 /nfs/dbraw/zinc/80/90/53/719809053.db2.gz UNAAFHGCBHRKPX-UHFFFAOYSA-N 0 1 388.537 3.464 20 0 GGADMN Fc1cc2c(cn1)ncnc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696097 719889956 /nfs/dbraw/zinc/88/99/56/719889956.db2.gz WZHIOVJUZPAWEF-UHFFFAOYSA-N 0 1 399.495 3.097 20 0 GGADMN c1csc(CN2CCOC3(CCN(c4ncnc5c4CCCC5)CC3)C2)c1 ZINC001164694639 719891617 /nfs/dbraw/zinc/89/16/17/719891617.db2.gz BNTVLGPYOZUUDU-UHFFFAOYSA-N 0 1 384.549 3.288 20 0 GGADMN Nc1cc(Cl)cnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697576 719897038 /nfs/dbraw/zinc/89/70/38/719897038.db2.gz LGXXAJCDEWSERN-UHFFFAOYSA-N 0 1 378.929 3.250 20 0 GGADMN CSc1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nn1 ZINC001164697728 719898926 /nfs/dbraw/zinc/89/89/26/719898926.db2.gz OOGDWCSXZCHSEK-UHFFFAOYSA-N 0 1 376.551 3.131 20 0 GGADMN CSc1cncc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164705892 719900176 /nfs/dbraw/zinc/90/01/76/719900176.db2.gz FFGUHUCLELHWFI-UHFFFAOYSA-N 0 1 376.551 3.131 20 0 GGADMN Cc1cnc2c(ccnc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164705509 719900814 /nfs/dbraw/zinc/90/08/14/719900814.db2.gz CMMNJJZFJFDHSL-UHFFFAOYSA-N 0 1 395.532 3.266 20 0 GGADMN c1csc(CN2CCOC3(CCN(c4cnc5c(n4)CCCC5)CC3)C2)c1 ZINC001164705346 719903205 /nfs/dbraw/zinc/90/32/05/719903205.db2.gz AOFGWQWTFZIVDO-UHFFFAOYSA-N 0 1 384.549 3.288 20 0 GGADMN c1csc(CN2CCOC3(CCN(c4ncc5c(n4)CCCC5)CC3)C2)c1 ZINC001164705343 719905267 /nfs/dbraw/zinc/90/52/67/719905267.db2.gz ALHOOXQUMQCCAR-UHFFFAOYSA-N 0 1 384.549 3.288 20 0 GGADMN CCOC(=O)c1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ncc1Cl ZINC001164725971 720339641 /nfs/dbraw/zinc/33/96/41/720339641.db2.gz PCTAGPBFSNLPKN-MSOLQXFVSA-N 0 1 386.883 3.160 20 0 GGADMN CCOC(=O)c1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ncc1Cl ZINC001164725981 720339718 /nfs/dbraw/zinc/33/97/18/720339718.db2.gz PCTAGPBFSNLPKN-ZWKOTPCHSA-N 0 1 386.883 3.160 20 0 GGADMN Clc1nc2c(c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n1)CSCC2 ZINC001164727754 720345137 /nfs/dbraw/zinc/34/51/37/720345137.db2.gz UKVRXAARKWYRCP-IRXDYDNUSA-N 0 1 387.940 3.168 20 0 GGADMN Clc1nc2c(c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n1)CSCC2 ZINC001164727744 720345375 /nfs/dbraw/zinc/34/53/75/720345375.db2.gz UKVRXAARKWYRCP-DLBZAZTESA-N 0 1 387.940 3.168 20 0 GGADMN CSc1nc2c(c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n1)CCCC2 ZINC001164722527 720376910 /nfs/dbraw/zinc/37/69/10/720376910.db2.gz DHXKRVHAUQKCSN-RBUKOAKNSA-N 0 1 381.549 3.326 20 0 GGADMN c1ccc(COc2cnnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164724280 720399057 /nfs/dbraw/zinc/39/90/57/720399057.db2.gz IWZOWRYTSLPUJP-VXKWHMMOSA-N 0 1 387.487 3.304 20 0 GGADMN CSc1nc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2s1 ZINC001164730137 720413069 /nfs/dbraw/zinc/41/30/69/720413069.db2.gz HVGIZCKJPBPTAM-KGLIPLIRSA-N 0 1 384.534 3.056 20 0 GGADMN CCCSc1ncnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1OC ZINC001164731778 720481730 /nfs/dbraw/zinc/48/17/30/720481730.db2.gz XSLBRXXAKRKYJV-IRXDYDNUSA-N 0 1 385.537 3.236 20 0 GGADMN FC(F)(c1ccnc(Cl)c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164733521 720549486 /nfs/dbraw/zinc/54/94/86/720549486.db2.gz OLTZPDULWGGEOW-UHFFFAOYSA-N 0 1 381.858 3.135 20 0 GGADMN Fc1ccc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)nc1Cl ZINC001164732927 720552551 /nfs/dbraw/zinc/55/25/51/720552551.db2.gz FKWCHTJMEFJQMB-UHFFFAOYSA-N 0 1 399.848 3.274 20 0 GGADMN Clc1ccnc2c1ccnc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164733019 720554959 /nfs/dbraw/zinc/55/49/59/720554959.db2.gz HZFHDJAJYBTQMX-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN c1nc2n(c1CN1CCCC1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164732684 720555283 /nfs/dbraw/zinc/55/52/83/720555283.db2.gz DEMMTGCBUYDKHY-UHFFFAOYSA-N 0 1 390.491 3.124 20 0 GGADMN Clc1cccc2ncc(N3CCc4ncc(CN5CCCC5)n4CC3)nc12 ZINC001164734117 720556395 /nfs/dbraw/zinc/55/63/95/720556395.db2.gz VEQMXRSFIWXRPD-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Clc1cccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)cnc12 ZINC001164734164 720559658 /nfs/dbraw/zinc/55/96/58/720559658.db2.gz WZUCLZPKNHLGDX-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Cc1cccc2c(Cl)nnc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164729664 720564302 /nfs/dbraw/zinc/56/43/02/720564302.db2.gz SKBNQQGRDODDJP-UHFFFAOYSA-N 0 1 396.926 3.447 20 0 GGADMN Cc1cc(Cl)ncc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164730871 720566178 /nfs/dbraw/zinc/56/61/78/720566178.db2.gz ZUIIPVULEMBARQ-UHFFFAOYSA-N 0 1 395.885 3.443 20 0 GGADMN Clc1ccnc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)ccc12 ZINC001164728682 720571045 /nfs/dbraw/zinc/57/10/45/720571045.db2.gz KSLLBECFJZPUES-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN CSc1ccnc(Cl)c1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728668 720571390 /nfs/dbraw/zinc/57/13/90/720571390.db2.gz KQXVVOGRCFNGST-UHFFFAOYSA-N 0 1 377.945 3.312 20 0 GGADMN CC(C)(C)c1nc2[nH]ccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736278 720577492 /nfs/dbraw/zinc/57/74/92/720577492.db2.gz GJTZUAXFJFPJLR-UHFFFAOYSA-N 0 1 393.539 3.110 20 0 GGADMN Cc1nc(C2CC2)nc(Cl)c1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736332 720586220 /nfs/dbraw/zinc/58/62/20/720586220.db2.gz IXKBKGQUXRBBKR-UHFFFAOYSA-N 0 1 386.931 3.171 20 0 GGADMN Fc1ccc(-c2cncc(N3CCc4ncc(CN5CCCC5)n4CC3)n2)cc1 ZINC001164741441 720592722 /nfs/dbraw/zinc/59/27/22/720592722.db2.gz LBUXRFKOEFNMNJ-UHFFFAOYSA-N 0 1 392.482 3.138 20 0 GGADMN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164743714 720599595 /nfs/dbraw/zinc/59/95/95/720599595.db2.gz QIUPAIHNEWVQJE-MRXNPFEDSA-N 0 1 393.539 3.326 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(N3CCCCC3)nn1)[C@@H]2C ZINC001164862909 720918946 /nfs/dbraw/zinc/91/89/46/720918946.db2.gz WOJHUZOXSKRIME-QGZVFWFLSA-N 0 1 383.544 3.085 20 0 GGADMN CCOC(=O)c1ccc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc1C ZINC001164863091 720920140 /nfs/dbraw/zinc/92/01/40/720920140.db2.gz WXXKWFWFWRGTJQ-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3[nH]cc(F)c31)[C@@H]2C ZINC001164860475 720921192 /nfs/dbraw/zinc/92/11/92/720921192.db2.gz RVBXAMBLKBSTAH-LLVKDONJSA-N 0 1 391.882 3.368 20 0 GGADMN CSc1nc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164857538 720922314 /nfs/dbraw/zinc/92/23/14/720922314.db2.gz LNEZQEYQNLWOIC-LBPRGKRZSA-N 0 1 380.949 3.470 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nccc(Cl)n1)[C@@H]2C ZINC001164859912 720931589 /nfs/dbraw/zinc/93/15/89/720931589.db2.gz QLAJEEMZIPUCAQ-GFCCVEGCSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nn1)[C@@H]2C ZINC001164857006 720937073 /nfs/dbraw/zinc/93/70/73/720937073.db2.gz FBRGUEBGDFAYBB-GFCCVEGCSA-N 0 1 384.862 3.293 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cccnc31)[C@H]2C ZINC001164856191 720938792 /nfs/dbraw/zinc/93/87/92/720938792.db2.gz CHDPNHRBVMKODA-ZDUSSCGKSA-N 0 1 385.903 3.296 20 0 GGADMN COc1ccc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164858573 720939196 /nfs/dbraw/zinc/93/91/96/720939196.db2.gz JFINPCNSJYTIKF-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN COc1ccc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164858569 720940074 /nfs/dbraw/zinc/94/00/74/720940074.db2.gz JFINPCNSJYTIKF-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN CCOc1nc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164858710 720946888 /nfs/dbraw/zinc/94/68/88/720946888.db2.gz KLLFSBMMIWIMIK-ZDUSSCGKSA-N 0 1 378.908 3.147 20 0 GGADMN COC(=O)c1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ccc1Cl ZINC001164860686 720957242 /nfs/dbraw/zinc/95/72/42/720957242.db2.gz RDBQVLUBTZBBJH-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(NC(=O)C(C)(C)C)nn1)[C@@H]2C ZINC001164856149 720959626 /nfs/dbraw/zinc/95/96/26/720959626.db2.gz BPXVXUHBGRWXPU-OAHLLOKOSA-N 0 1 399.543 3.079 20 0 GGADMN COc1ccc2ncc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc2c1 ZINC001164861657 720963139 /nfs/dbraw/zinc/96/31/39/720963139.db2.gz TWMXKOFAHHTVHB-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@H](F)Oc1cccc(Cl)n1)[C@@H]2C ZINC001164857738 720963550 /nfs/dbraw/zinc/96/35/50/720963550.db2.gz HAOGVIWPRMJFPN-ACJLOTCBSA-N 0 1 381.883 3.480 20 0 GGADMN COc1cccc2cnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc21 ZINC001164856962 720967147 /nfs/dbraw/zinc/96/71/47/720967147.db2.gz CZLBCXAIMGDCOH-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN COc1ccc2nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)ncc2c1 ZINC001164860082 720968104 /nfs/dbraw/zinc/96/81/04/720968104.db2.gz PQKKRBNDZIJLFF-HNNXBMFYSA-N 0 1 380.496 3.256 20 0 GGADMN COC(=O)c1ccc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861911 720968508 /nfs/dbraw/zinc/96/85/08/720968508.db2.gz RBAZAZNXMQFBOJ-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN COC(=O)c1ccc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861908 720968785 /nfs/dbraw/zinc/96/87/85/720968785.db2.gz RBAZAZNXMQFBOJ-CYBMUJFWSA-N 0 1 391.903 3.140 20 0 GGADMN CCOCc1cnc(Cl)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164857231 720992186 /nfs/dbraw/zinc/99/21/86/720992186.db2.gz DUHMVLMRGUORPU-CQSZACIVSA-N 0 1 392.935 3.284 20 0 GGADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc(-c2ccncc2)n1 ZINC001164862455 721000567 /nfs/dbraw/zinc/00/05/67/721000567.db2.gz SOYDYDLNGGODIR-KRWDZBQOSA-N 0 1 391.523 3.465 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc3ncn(C(C)C)c3n1)[C@H]2C ZINC001164864167 721004189 /nfs/dbraw/zinc/00/41/89/721004189.db2.gz YOQLZHTUUGVXLE-HNNXBMFYSA-N 0 1 382.516 3.025 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccccn3)ncn1)[C@@H]2C ZINC001164862765 721006648 /nfs/dbraw/zinc/00/66/48/721006648.db2.gz UKTGLOMDCOHFCX-MRXNPFEDSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccccn3)ncn1)[C@H]2C ZINC001164862762 721006864 /nfs/dbraw/zinc/00/68/64/721006864.db2.gz UKTGLOMDCOHFCX-INIZCTEOSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccccn3)nn1)[C@H]2C ZINC001164857292 721010624 /nfs/dbraw/zinc/01/06/24/721010624.db2.gz CHPDEVPQLKMJLC-INIZCTEOSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cncc(N3CCCCCC3)n1)[C@@H]2C ZINC001164863965 721011731 /nfs/dbraw/zinc/01/17/31/721011731.db2.gz WBPCIJONJMVTLA-GOSISDBHSA-N 0 1 397.571 3.475 20 0 GGADMN CC(C)OC(=O)c1cccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164859572 721016748 /nfs/dbraw/zinc/01/67/48/721016748.db2.gz JMXDNLJQCIIRKI-INIZCTEOSA-N 0 1 385.512 3.265 20 0 GGADMN FC(F)(c1cccnc1Cl)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869129 721046016 /nfs/dbraw/zinc/04/60/16/721046016.db2.gz RRLBCVUIJWBVQI-HZPDHXFCSA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1cccc(Cl)n1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869950 721046096 /nfs/dbraw/zinc/04/60/96/721046096.db2.gz USPNBPGNZKIVTG-CVEARBPZSA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1cccnc1Cl)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869127 721046455 /nfs/dbraw/zinc/04/64/55/721046455.db2.gz RRLBCVUIJWBVQI-HOTGVXAUSA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1cccc(Cl)n1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869953 721046493 /nfs/dbraw/zinc/04/64/93/721046493.db2.gz USPNBPGNZKIVTG-JKSUJKDBSA-N 0 1 394.853 3.155 20 0 GGADMN Clc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164868436 721048360 /nfs/dbraw/zinc/04/83/60/721048360.db2.gz OKHIFPYDXKOFSG-JKSUJKDBSA-N 0 1 379.291 3.263 20 0 GGADMN CN1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](c5ccccc5)CO4)C3)n2)CC1 ZINC001164764989 721060225 /nfs/dbraw/zinc/06/02/25/721060225.db2.gz BYWULGBPBRCHLF-ZJSXRUAMSA-N 0 1 392.547 3.377 20 0 GGADMN Clc1ccc(Cl)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866239 721073337 /nfs/dbraw/zinc/07/33/37/721073337.db2.gz CZUOHZSPDSDIQQ-HUUCEWRRSA-N 0 1 379.291 3.263 20 0 GGADMN Clc1ccc(Cl)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866240 721073910 /nfs/dbraw/zinc/07/39/10/721073910.db2.gz CZUOHZSPDSDIQQ-LSDHHAIUSA-N 0 1 379.291 3.263 20 0 GGADMN Clc1nc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870500 721074981 /nfs/dbraw/zinc/07/49/81/721074981.db2.gz WCOOAOLHPUWBHT-DLBZAZTESA-N 0 1 395.894 3.158 20 0 GGADMN CSc1cc(Cl)ncc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865604 721076438 /nfs/dbraw/zinc/07/64/38/721076438.db2.gz NKIJKGIGAJPTJV-HZPDHXFCSA-N 0 1 390.940 3.332 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(F)c4)C[C@@H]3C2)cn1 ZINC001164772718 721121009 /nfs/dbraw/zinc/12/10/09/721121009.db2.gz VRNAXDJVMPFEBR-KBPBESRZSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(F)c4)C[C@H]3C2)cn1 ZINC001164772720 721121037 /nfs/dbraw/zinc/12/10/37/721121037.db2.gz VRNAXDJVMPFEBR-UONOGXRCSA-N 0 1 399.848 3.111 20 0 GGADMN Cc1cc(Cl)nc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164769956 721150280 /nfs/dbraw/zinc/15/02/80/721150280.db2.gz QQTARBMDZPSEFF-CVEARBPZSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(Cl)cn3)C2)C1 ZINC001164778836 721334561 /nfs/dbraw/zinc/33/45/61/721334561.db2.gz YXDXGZRWAFNQGE-FQEVSTJZSA-N 0 1 390.915 3.459 20 0 GGADMN CCc1nc(C)cc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164780708 721367396 /nfs/dbraw/zinc/36/73/96/721367396.db2.gz GQDMOAUKTNZDRI-QFIPXVFZSA-N 0 1 399.539 3.071 20 0 GGADMN Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)ccc2c1 ZINC001164889282 721380670 /nfs/dbraw/zinc/38/06/70/721380670.db2.gz LLKZZTCEWSIEBM-URXFXBBRSA-N 0 1 394.563 3.309 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893612 721382427 /nfs/dbraw/zinc/38/24/27/721382427.db2.gz WCRASHFSXBSPJH-QFBILLFUSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893611 721382645 /nfs/dbraw/zinc/38/26/45/721382645.db2.gz WCRASHFSXBSPJH-LPHOPBHVSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4Cl)C3)O2)CC1 ZINC001164890895 721382759 /nfs/dbraw/zinc/38/27/59/721382759.db2.gz OXQHDYUMEQZLFP-QFBILLFUSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(F)c5ccccc54)C3)O2)CC1 ZINC001164889793 721414611 /nfs/dbraw/zinc/41/46/11/721414611.db2.gz RMBLIRKLQRXUMI-WZONZLPQSA-N 0 1 398.526 3.139 20 0 GGADMN Cc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1C ZINC001164889431 721416711 /nfs/dbraw/zinc/41/67/11/721416711.db2.gz QLLYRDIQLRYWIE-WIYYLYMNSA-N 0 1 392.975 3.117 20 0 GGADMN Cc1cc(Cl)c(C)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164892557 721422667 /nfs/dbraw/zinc/42/26/67/721422667.db2.gz YTBWQQMSMCZFTP-GHTZIAJQSA-N 0 1 392.975 3.117 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5cccc(F)c5n4)C3)O2)CC1 ZINC001164896185 721427779 /nfs/dbraw/zinc/42/77/79/721427779.db2.gz QWBOGJPEOOTZFK-WMZHIEFXSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc(F)cc5n4)C3)O2)CC1 ZINC001164899846 721436378 /nfs/dbraw/zinc/43/63/78/721436378.db2.gz ZIHXTEXJLGAPJL-OFNKIYASSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5ccc(F)cc5cn4)C3)O2)CC1 ZINC001164899872 721438768 /nfs/dbraw/zinc/43/87/68/721438768.db2.gz ZLEBXIHXNRGXBU-GMAHTHKFSA-N 0 1 398.526 3.139 20 0 GGADMN CCc1cc2c(ccnc2N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)o1 ZINC001164888016 721450194 /nfs/dbraw/zinc/45/01/94/721450194.db2.gz LMEYANQMUAXLSJ-CVDCTZTESA-N 0 1 398.551 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccnc(Cl)n4)CCN3C2)c1 ZINC001164897019 721508048 /nfs/dbraw/zinc/50/80/48/721508048.db2.gz DJSGSXSYDPHURE-DZGCQCFKSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ncc4Cl)CCN3C2)c1 ZINC001164896997 721513414 /nfs/dbraw/zinc/51/34/14/721513414.db2.gz DFDIDCKLHPTGIY-JSGCOSHPSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)cc4Cl)CCN3C2)c1 ZINC001164898219 721514326 /nfs/dbraw/zinc/51/43/26/721514326.db2.gz IHCWIYMLHHYQEW-GXTWGEPZSA-N 0 1 383.254 3.264 20 0 GGADMN CCc1ncnc(Cl)c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897265 721515882 /nfs/dbraw/zinc/51/58/82/721515882.db2.gz FNYPRLBJSHAWKZ-GDBMZVCRSA-N 0 1 376.863 3.173 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc(Cl)nn4)CCN3C2)c1 ZINC001164900128 721519827 /nfs/dbraw/zinc/51/98/27/721519827.db2.gz OKDNJDSEOZHDEF-DZGCQCFKSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc(Cl)nn4)CCN3C2)c1 ZINC001164900131 721519893 /nfs/dbraw/zinc/51/98/93/721519893.db2.gz OKDNJDSEOZHDEF-UKRRQHHQSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)cnc4Cl)CCN3C2)c1 ZINC001164907301 721530486 /nfs/dbraw/zinc/53/04/86/721530486.db2.gz MWKQRMVGDGBRMC-JSGCOSHPSA-N 0 1 383.254 3.264 20 0 GGADMN COc1ccc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911368 721534866 /nfs/dbraw/zinc/53/48/66/721534866.db2.gz WOCIDOBGPPRKFF-GOEBONIOSA-N 0 1 377.847 3.225 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnnc(Cl)c4)CCN3C2)c1 ZINC001164903341 721535306 /nfs/dbraw/zinc/53/53/06/721535306.db2.gz CDEYSBDSHMMDJO-ZBFHGGJFSA-N 0 1 398.816 3.156 20 0 GGADMN CSc1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905275 721537209 /nfs/dbraw/zinc/53/72/09/721537209.db2.gz IASNCXQYUPVKNO-ZFWWWQNUSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1ccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164804389 721540171 /nfs/dbraw/zinc/54/01/71/721540171.db2.gz JQVZDZCYMZBLQF-BHIFYINESA-N 0 1 389.503 3.201 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5nc[nH]c5cc4Cl)CCN3C2)c1 ZINC001164909952 721541183 /nfs/dbraw/zinc/54/11/83/721541183.db2.gz SOMIUVWAYYSNFL-HIFRSBDPSA-N 0 1 387.846 3.092 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cncc(Cl)n4)CCN3C2)c1 ZINC001164909784 721547065 /nfs/dbraw/zinc/54/70/65/721547065.db2.gz RWQROHNZMFFVGC-HIFRSBDPSA-N 0 1 398.816 3.156 20 0 GGADMN Cc1nc(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164805241 721548102 /nfs/dbraw/zinc/54/81/02/721548102.db2.gz LJQKSUXYQKCPAG-JENIJYKNSA-N 0 1 387.915 3.010 20 0 GGADMN Cc1cccc2ncc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc12 ZINC001164805564 721548659 /nfs/dbraw/zinc/54/86/59/721548659.db2.gz MHOTWLLSLFTJJS-ZRCGQRJVSA-N 0 1 389.503 3.201 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c(F)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164806625 721548916 /nfs/dbraw/zinc/54/89/16/721548916.db2.gz PJIMBAKPGSMUCE-QKNQBKEWSA-N 0 1 393.466 3.032 20 0 GGADMN COc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164799914 721549484 /nfs/dbraw/zinc/54/94/84/721549484.db2.gz BZFXGZBSSHJAMA-UWVAXJGDSA-N 0 1 388.899 3.007 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3c(F)cccc32)[C@@H]2CCCO[C@@H]12 ZINC001164806627 721549594 /nfs/dbraw/zinc/54/95/94/721549594.db2.gz PJIMBAKPGSMUCE-SFHLNBCPSA-N 0 1 393.466 3.032 20 0 GGADMN CSc1ncc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906360 721550570 /nfs/dbraw/zinc/55/05/70/721550570.db2.gz KCYJYKUNBKFJCR-ZFWWWQNUSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1cccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164803162 721557417 /nfs/dbraw/zinc/55/74/17/721557417.db2.gz JQDOLKOHIBLIGS-URVUXULASA-N 0 1 389.503 3.201 20 0 GGADMN CC(C)Oc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164801825 721559737 /nfs/dbraw/zinc/55/97/37/721559737.db2.gz HHVZDVFLUBDRJB-URVUXULASA-N 0 1 382.508 3.132 20 0 GGADMN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1Cl ZINC001164808804 721569656 /nfs/dbraw/zinc/56/96/56/721569656.db2.gz VQEXTJIAWACHMA-ZIFCJYIRSA-N 0 1 388.899 3.007 20 0 GGADMN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1Cl ZINC001164808802 721570043 /nfs/dbraw/zinc/57/00/43/721570043.db2.gz VQEXTJIAWACHMA-JENIJYKNSA-N 0 1 388.899 3.007 20 0 GGADMN CC(C)COc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164802399 721571816 /nfs/dbraw/zinc/57/18/16/721571816.db2.gz IHKWLUNAGQIALX-JTAQYXEDSA-N 0 1 396.535 3.380 20 0 GGADMN CSc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C)c1 ZINC001164798559 721573479 /nfs/dbraw/zinc/57/34/79/721573479.db2.gz BJYFQENSSNLBOW-UFYCRDLUSA-N 0 1 384.549 3.375 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164811284 721577369 /nfs/dbraw/zinc/57/73/69/721577369.db2.gz XDFXPAWMFVRABE-DBXWQHBBSA-N 0 1 381.524 3.037 20 0 GGADMN FC1(F)CCN(c2cc(Cl)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905906 721582997 /nfs/dbraw/zinc/58/29/97/721582997.db2.gz XCMCCYMGIYRCMO-QGZVFWFLSA-N 0 1 379.842 3.263 20 0 GGADMN Fc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904585 721583934 /nfs/dbraw/zinc/58/39/34/721583934.db2.gz RPPIOBQVJRXHRN-KRWDZBQOSA-N 0 1 397.832 3.402 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C3CCC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164812270 721586487 /nfs/dbraw/zinc/58/64/87/721586487.db2.gz ZUILGUYEBNWIDP-VWPQPMDRSA-N 0 1 379.508 3.007 20 0 GGADMN CSc1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164903614 721587590 /nfs/dbraw/zinc/58/75/90/721587590.db2.gz AVOMUFOFQXTSHC-GOSISDBHSA-N 0 1 391.491 3.331 20 0 GGADMN CCSc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164800116 721588030 /nfs/dbraw/zinc/58/80/30/721588030.db2.gz BZUPLJPNMPSZPT-ZJOUEHCJSA-N 0 1 384.549 3.457 20 0 GGADMN CSc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164906127 721711267 /nfs/dbraw/zinc/71/12/67/721711267.db2.gz KCFFUYZRHKESPP-GOSISDBHSA-N 0 1 391.491 3.331 20 0 GGADMN [O-][n+]1cc(Cl)ccc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907746 721720108 /nfs/dbraw/zinc/72/01/08/721720108.db2.gz TXALTMNWPMCJQF-GOSISDBHSA-N 0 1 394.853 3.106 20 0 GGADMN CSc1cncc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912917 721730753 /nfs/dbraw/zinc/73/07/53/721730753.db2.gz RDWPTVPISUHODA-SFHVURJKSA-N 0 1 391.491 3.331 20 0 GGADMN CCOc1nccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164910538 721732411 /nfs/dbraw/zinc/73/24/11/721732411.db2.gz FTORYWYVICQJHZ-IBGZPJMESA-N 0 1 389.450 3.008 20 0 GGADMN FC1(F)CCN(c2ncc3c(n2)CCCC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164911654 721732780 /nfs/dbraw/zinc/73/27/80/721732780.db2.gz JWPVTTRVCWHWBN-NRFANRHFSA-N 0 1 399.489 3.488 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3c(Cl)cccc3n2)CC1 ZINC001165011972 721736693 /nfs/dbraw/zinc/73/66/93/721736693.db2.gz ZVOQBQPHZNRKSA-UHFFFAOYSA-N 0 1 386.927 3.411 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3ccc(Cl)cc3n2)CC1 ZINC001165010909 721741251 /nfs/dbraw/zinc/74/12/51/721741251.db2.gz QQDSMDBBDHMHDL-UHFFFAOYSA-N 0 1 386.927 3.411 20 0 GGADMN Cc1nc(C2CCCCC2)cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1 ZINC001165009889 721743023 /nfs/dbraw/zinc/74/30/23/721743023.db2.gz JOEGMEATKNBTSX-UHFFFAOYSA-N 0 1 399.583 3.356 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001165024932 721786029 /nfs/dbraw/zinc/78/60/29/721786029.db2.gz ZDNUBPQXUGZPFC-FQEVSTJZSA-N 0 1 385.899 3.279 20 0 GGADMN CN(c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1)C(C)(C)C ZINC001165023781 721833795 /nfs/dbraw/zinc/83/37/95/721833795.db2.gz UZEIVCMEQPVBPI-HNNXBMFYSA-N 0 1 376.545 3.115 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3[nH]cc(C)c32)CC1 ZINC001165017067 721837826 /nfs/dbraw/zinc/83/78/26/721837826.db2.gz HOQUGAGGEYBHDH-UHFFFAOYSA-N 0 1 395.507 3.384 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(N)cc2Cl)CC1 ZINC001165020307 721841218 /nfs/dbraw/zinc/84/12/18/721841218.db2.gz BZHMTMRYEPYFSU-UHFFFAOYSA-N 0 1 390.915 3.435 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3onc(C)c32)CC1 ZINC001165031206 721844106 /nfs/dbraw/zinc/84/41/06/721844106.db2.gz YAYSFTOHMZFWQQ-UHFFFAOYSA-N 0 1 397.479 3.044 20 0 GGADMN O=C(c1cnc(N2CCN(C3CCCC3)CC2)c(Cl)c1)N1CCCCC1 ZINC000301092071 721860436 /nfs/dbraw/zinc/86/04/36/721860436.db2.gz NZIJXLQQEPNXHC-UHFFFAOYSA-N 0 1 376.932 3.426 20 0 GGADMN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCN(C2CCCC2)CC1 ZINC001165033137 721862945 /nfs/dbraw/zinc/86/29/45/721862945.db2.gz DFHJYZTUUNRHRT-UHFFFAOYSA-N 0 1 387.887 3.435 20 0 GGADMN Cc1cc2ccccc2c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)n1 ZINC001164935185 721906597 /nfs/dbraw/zinc/90/65/97/721906597.db2.gz BHCVZBWKEAIUQY-UHFFFAOYSA-N 0 1 391.519 3.148 20 0 GGADMN Fc1ccc(-c2nc(Cl)cc(N3CCN(C[C@H]4CCCO4)CC3)n2)cc1 ZINC001165043429 721919999 /nfs/dbraw/zinc/91/99/99/721919999.db2.gz JWOAFWPCMZBXMA-MRXNPFEDSA-N 0 1 376.863 3.237 20 0 GGADMN CCN(C)c1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164938297 721920379 /nfs/dbraw/zinc/92/03/79/721920379.db2.gz KPXYFCQICXVFLU-UHFFFAOYSA-N 0 1 395.551 3.113 20 0 GGADMN c1cc2c(nc(-c3ccncc3)nc2N2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC001165043858 721923120 /nfs/dbraw/zinc/92/31/20/721923120.db2.gz PQPMXGREVQNADZ-INIZCTEOSA-N 0 1 381.505 3.054 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4nnc(Cl)cc4F)CC3)C2)cc1 ZINC001164941033 721926751 /nfs/dbraw/zinc/92/67/51/721926751.db2.gz ZBVNMCRFBHDGIV-UHFFFAOYSA-N 0 1 390.890 3.449 20 0 GGADMN CSc1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164939033 721928259 /nfs/dbraw/zinc/92/82/59/721928259.db2.gz HNPRSUAOVHWODV-UHFFFAOYSA-N 0 1 384.549 3.378 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C)nc5c4CCC5)CC3)C2)cc1 ZINC001164939068 721930022 /nfs/dbraw/zinc/93/00/22/721930022.db2.gz IEKMVZOIZGRNRF-UHFFFAOYSA-N 0 1 392.547 3.454 20 0 GGADMN COCc1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164939426 721931239 /nfs/dbraw/zinc/93/12/39/721931239.db2.gz KTDIJVHBSYEWJH-UHFFFAOYSA-N 0 1 381.520 3.408 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4nnc5ccccc5n4)CC3)C2)cc1 ZINC001164940698 721931670 /nfs/dbraw/zinc/93/16/70/721931670.db2.gz XMWMZJLGLADQGI-UHFFFAOYSA-N 0 1 389.503 3.205 20 0 GGADMN COc1cccc2c1nc(Cl)nc2N1CCN(CCOc2ccccc2)CC1 ZINC001165044184 721956309 /nfs/dbraw/zinc/95/63/09/721956309.db2.gz HZBOEXAFRYWUDB-UHFFFAOYSA-N 0 1 398.894 3.493 20 0 GGADMN COc1cc(C)c2ncnc(N3CCN(CCOc4ccccc4)CC3)c2c1 ZINC001165046417 721962176 /nfs/dbraw/zinc/96/21/76/721962176.db2.gz LMOVVOYNRKAOIT-UHFFFAOYSA-N 0 1 378.476 3.148 20 0 GGADMN c1cc2c(nc(C3CCC3)nc2N2CCN(CCOc3ccccc3)CC2)[nH]1 ZINC001165047479 721962197 /nfs/dbraw/zinc/96/21/97/721962197.db2.gz UBLZCBAXOHGIJU-UHFFFAOYSA-N 0 1 377.492 3.426 20 0 GGADMN Cc1cnc(N2CCN(CCc3ccccn3)CC2)nc1-c1ccccc1F ZINC001165054853 722019716 /nfs/dbraw/zinc/01/97/16/722019716.db2.gz GGWYQLYFFTWYFA-UHFFFAOYSA-N 0 1 377.467 3.351 20 0 GGADMN Cc1nc2ccoc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164958065 722051976 /nfs/dbraw/zinc/05/19/76/722051976.db2.gz BHXPOHSSFJFJKK-UHFFFAOYSA-N 0 1 393.491 3.045 20 0 GGADMN c1cnc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc2c1 ZINC001164964047 722055046 /nfs/dbraw/zinc/05/50/46/722055046.db2.gz RCSKRSALVPPAAL-UHFFFAOYSA-N 0 1 389.503 3.144 20 0 GGADMN Clc1cc(Cc2ccccc2)nc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164966984 722074023 /nfs/dbraw/zinc/07/40/23/722074023.db2.gz IITCZZKLTXQDLV-KDURUIRLSA-N 0 1 384.911 3.020 20 0 GGADMN Clc1cccc2nc(Cl)c(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)nc12 ZINC001164967410 722077201 /nfs/dbraw/zinc/07/72/01/722077201.db2.gz FCMMMTGHAXERPX-BETUJISGSA-N 0 1 379.291 3.236 20 0 GGADMN COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164968182 722078125 /nfs/dbraw/zinc/07/81/25/722078125.db2.gz VAKSVVRHRGEXCG-GASCZTMLSA-N 0 1 391.874 3.335 20 0 GGADMN Clc1cc(C2CC2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983242 722120656 /nfs/dbraw/zinc/12/06/56/722120656.db2.gz YRNSKASNKJFBBR-HKUYNNGSSA-N 0 1 399.926 3.130 20 0 GGADMN Clc1cc(C2CC2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983246 722121008 /nfs/dbraw/zinc/12/10/08/722121008.db2.gz YRNSKASNKJFBBR-MJGOQNOKSA-N 0 1 399.926 3.130 20 0 GGADMN Cc1csc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164982819 722136368 /nfs/dbraw/zinc/13/63/68/722136368.db2.gz SSSFCBGALYWHQF-ZWKOTPCHSA-N 0 1 395.532 3.122 20 0 GGADMN NC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994295 722192381 /nfs/dbraw/zinc/19/23/81/722192381.db2.gz MSFUVGGCHDJGEQ-HXUWFJFHSA-N 0 1 388.874 3.218 20 0 GGADMN NC(=O)c1cc(Cl)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994294 722192535 /nfs/dbraw/zinc/19/25/35/722192535.db2.gz MSFUVGGCHDJGEQ-FQEVSTJZSA-N 0 1 388.874 3.218 20 0 GGADMN COC(=O)c1cc(F)cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993883 722193157 /nfs/dbraw/zinc/19/31/57/722193157.db2.gz IJTXQQFCCKVXRW-OAQYLSRUSA-N 0 1 387.430 3.391 20 0 GGADMN COC(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1OC ZINC001164994527 722194316 /nfs/dbraw/zinc/19/43/16/722194316.db2.gz NPWXXHWXHKPPED-JOCHJYFZSA-N 0 1 399.466 3.261 20 0 GGADMN CCOC(=O)c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nn1 ZINC001164992716 722194709 /nfs/dbraw/zinc/19/47/09/722194709.db2.gz ASLBYLVREIHBSF-NRFANRHFSA-N 0 1 384.455 3.037 20 0 GGADMN CC(C)OC(=O)c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nn1 ZINC001164994707 722195659 /nfs/dbraw/zinc/19/56/59/722195659.db2.gz PJAWZYMBRJCHEP-QFIPXVFZSA-N 0 1 398.482 3.426 20 0 GGADMN COC(=O)c1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ncc1F ZINC001164995145 722196592 /nfs/dbraw/zinc/19/65/92/722196592.db2.gz SBEYRYTUDJZVBE-OAQYLSRUSA-N 0 1 387.430 3.391 20 0 GGADMN CCOC(=O)c1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncn1 ZINC001164992887 722196639 /nfs/dbraw/zinc/19/66/39/722196639.db2.gz BZVBBVYIRNOYFP-NRFANRHFSA-N 0 1 384.455 3.037 20 0 GGADMN CCOC(=O)c1cc(C)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164992822 722196703 /nfs/dbraw/zinc/19/67/03/722196703.db2.gz BBIKXOITOMGCJI-JOCHJYFZSA-N 0 1 398.482 3.346 20 0 GGADMN CCOC(=O)c1cncc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993160 722198956 /nfs/dbraw/zinc/19/89/56/722198956.db2.gz CDFSNYTZUGTICN-OAQYLSRUSA-N 0 1 384.455 3.037 20 0 GGADMN CCOC(=O)c1ncnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1C ZINC001164995551 722201914 /nfs/dbraw/zinc/20/19/14/722201914.db2.gz ODARHJPGBMTTOU-JOCHJYFZSA-N 0 1 398.482 3.346 20 0 GGADMN O=C(NC1CC1)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164997285 722202163 /nfs/dbraw/zinc/20/21/63/722202163.db2.gz YNAQEOSVZBQRQI-HSZRJFAPSA-N 0 1 394.494 3.358 20 0 GGADMN Cc1cn(-c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nn2)cn1 ZINC001164994435 722204215 /nfs/dbraw/zinc/20/42/15/722204215.db2.gz GYQKCGVEFAHGLE-JOCHJYFZSA-N 0 1 392.482 3.355 20 0 GGADMN CON(C)C(=O)c1cccnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996317 722205439 /nfs/dbraw/zinc/20/54/39/722205439.db2.gz TVKMJHJOYOZONB-QFIPXVFZSA-N 0 1 398.482 3.099 20 0 GGADMN NC(=S)Nc1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164994633 722211754 /nfs/dbraw/zinc/21/17/54/722211754.db2.gz BZZHWMGIJBLVFE-HXUWFJFHSA-N 0 1 385.512 3.121 20 0 GGADMN COc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc2c1ccn2C ZINC001164998158 722213142 /nfs/dbraw/zinc/21/31/42/722213142.db2.gz UQTSOQQYTUAPNM-JOCHJYFZSA-N 0 1 395.482 3.361 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000312619435 939119769 /nfs/dbraw/zinc/11/97/69/939119769.db2.gz HNTKEVLDKZVJQS-FUHWJXTLSA-N 0 1 387.505 3.085 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000312619437 939119853 /nfs/dbraw/zinc/11/98/53/939119853.db2.gz HNTKEVLDKZVJQS-WMZOPIPTSA-N 0 1 387.505 3.085 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@](C)(C(=O)[O-])C2CC2)C1 ZINC000780432554 939120885 /nfs/dbraw/zinc/12/08/85/939120885.db2.gz MHHAEMQFKGHDDX-DMPWYTOCSA-N 0 1 387.524 3.217 20 0 GGADMN O=C([O-])C1(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCCCC1 ZINC000780446951 939122886 /nfs/dbraw/zinc/12/28/86/939122886.db2.gz RRKNIBNCKSPBJX-UHFFFAOYSA-N 0 1 395.450 3.016 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000780486526 939128205 /nfs/dbraw/zinc/12/82/05/939128205.db2.gz UZDOXEIRRTUVOT-AZUAARDMSA-N 0 1 387.524 3.231 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000780494300 939128810 /nfs/dbraw/zinc/12/88/10/939128810.db2.gz FANSXQMOLIMNHM-YJBOKZPZSA-N 0 1 393.553 3.293 20 0 GGADMN C[C@@H](CCNC(=O)N[C@H](C(=O)[O-])c1cccs1)[N@@H+](C)Cc1ccccc1 ZINC000379603574 939130461 /nfs/dbraw/zinc/13/04/61/939130461.db2.gz FXOLYAJPYNGZDP-YOEHRIQHSA-N 0 1 375.494 3.084 20 0 GGADMN C[C@@H](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379644924 939131141 /nfs/dbraw/zinc/13/11/41/939131141.db2.gz XLIQTWGNLIADAC-KRWDZBQOSA-N 0 1 375.513 3.374 20 0 GGADMN C[C@@H](CCNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000379647082 939131574 /nfs/dbraw/zinc/13/15/74/939131574.db2.gz ZLRGTIUUVGSEOW-LPHOPBHVSA-N 0 1 375.513 3.230 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000780633802 939141585 /nfs/dbraw/zinc/14/15/85/939141585.db2.gz GPSAZRKRCUHYKO-LSTHTHJFSA-N 0 1 387.524 3.372 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000780633801 939141678 /nfs/dbraw/zinc/14/16/78/939141678.db2.gz GPSAZRKRCUHYKO-AHRSYUTCSA-N 0 1 387.524 3.372 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000780697981 939146489 /nfs/dbraw/zinc/14/64/89/939146489.db2.gz YEIBDQPHPRNNKQ-IEBWSBKVSA-N 0 1 387.524 3.374 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N[C@H](C(=O)[O-])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000780697995 939146610 /nfs/dbraw/zinc/14/66/10/939146610.db2.gz YJMAUQVTEWDZSA-LMNJBCLMSA-N 0 1 395.503 3.412 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000780697983 939146650 /nfs/dbraw/zinc/14/66/50/939146650.db2.gz YEIBDQPHPRNNKQ-PKOBYXMFSA-N 0 1 387.524 3.374 20 0 GGADMN CC[N@@H+](CCCNC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000844296300 939231840 /nfs/dbraw/zinc/23/18/40/939231840.db2.gz HJKWWAHTLRMOKJ-SFHVURJKSA-N 0 1 397.466 3.434 20 0 GGADMN CC[N@@H+](CCCNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000844298315 939232281 /nfs/dbraw/zinc/23/22/81/939232281.db2.gz ZYDFOWXOZBONSF-NRFANRHFSA-N 0 1 375.513 3.330 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@]3(C(=O)[O-])CCCC(C)(C)C3)CC2)cs1 ZINC000887557592 939267162 /nfs/dbraw/zinc/26/71/62/939267162.db2.gz WOZSTMPXHXEKDF-HXUWFJFHSA-N 0 1 393.553 3.203 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000900290814 939267721 /nfs/dbraw/zinc/26/77/21/939267721.db2.gz BRQYEFGBYFBATL-CTNGQTDRSA-N 0 1 395.503 3.414 20 0 GGADMN CC[C@](NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000900307266 939271480 /nfs/dbraw/zinc/27/14/80/939271480.db2.gz XCGNTDKHCXTNRL-LJQANCHMSA-N 0 1 381.904 3.061 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2)C[C@H](C)O1 ZINC000902000478 939282411 /nfs/dbraw/zinc/28/24/11/939282411.db2.gz HTSWBFBWURBJEM-CALCHBBNSA-N 0 1 388.508 3.203 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2)C[C@H](C)O1 ZINC000902000478 939282412 /nfs/dbraw/zinc/28/24/12/939282412.db2.gz HTSWBFBWURBJEM-CALCHBBNSA-N 0 1 388.508 3.203 20 0 GGADMN C[C@@](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)(C(=O)[O-])c1ccccc1 ZINC000902088790 939284803 /nfs/dbraw/zinc/28/48/03/939284803.db2.gz UPVHVJDUGBYKIA-REWPJTCUSA-N 0 1 392.499 3.405 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccc(F)cc1 ZINC000902860916 939290956 /nfs/dbraw/zinc/29/09/56/939290956.db2.gz YRDFJFHSSADGND-QFBILLFUSA-N 0 1 388.414 3.119 20 0 GGADMN CCc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000908621067 939302433 /nfs/dbraw/zinc/30/24/33/939302433.db2.gz PXRSYISYTXNUJS-JOCHJYFZSA-N 0 1 381.476 3.490 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Nc2ccc3c(c2)CCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908620236 939302697 /nfs/dbraw/zinc/30/26/97/939302697.db2.gz LWLYSVCPOBGFRG-HSZRJFAPSA-N 0 1 393.487 3.416 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Nc2cc(C3CC3)ccn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000908672688 939305318 /nfs/dbraw/zinc/30/53/18/939305318.db2.gz BORWQWCMVQPCAC-QFIPXVFZSA-N 0 1 394.475 3.200 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1Cl ZINC000908753589 939312516 /nfs/dbraw/zinc/31/25/16/939312516.db2.gz IYJALHVYKGZDFT-DZGCQCFKSA-N 0 1 381.885 3.129 20 0 GGADMN C[C@H]1CC[C@@](NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)(C(=O)[O-])CC1 ZINC000908754527 939312649 /nfs/dbraw/zinc/31/26/49/939312649.db2.gz QKDGPKAVUDZQMI-VVFCZOMOSA-N 0 1 381.904 3.275 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1Cl ZINC000908753590 939312691 /nfs/dbraw/zinc/31/26/91/939312691.db2.gz IYJALHVYKGZDFT-HIFRSBDPSA-N 0 1 381.885 3.129 20 0 GGADMN Cc1cccc([C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908756705 939313166 /nfs/dbraw/zinc/31/31/66/939313166.db2.gz MCKMBXOYWSMFLY-QUCCMNQESA-N 0 1 381.476 3.003 20 0 GGADMN Cc1cccc([C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908756703 939313774 /nfs/dbraw/zinc/31/37/74/939313774.db2.gz MCKMBXOYWSMFLY-AZUAARDMSA-N 0 1 381.476 3.003 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000908757271 939314479 /nfs/dbraw/zinc/31/44/79/939314479.db2.gz SEAFHZNMXABTRS-VQTJNVASSA-N 0 1 381.476 3.003 20 0 GGADMN CC(C)(CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000908805673 939323524 /nfs/dbraw/zinc/32/35/24/939323524.db2.gz AYUOBPMFFLDWIT-IBGZPJMESA-N 0 1 399.466 3.088 20 0 GGADMN CC(C)(CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000908806817 939323859 /nfs/dbraw/zinc/32/38/59/939323859.db2.gz KYONXTXSNHQMHX-HSZRJFAPSA-N 0 1 395.503 3.123 20 0 GGADMN CC[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000908808513 939324077 /nfs/dbraw/zinc/32/40/77/939324077.db2.gz AUUIUWCPBUKAIY-BPXKWBHBSA-N 0 1 387.524 3.156 20 0 GGADMN CC(C)(CNC(=O)N[C@H](C(=O)[O-])c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000908807521 939324281 /nfs/dbraw/zinc/32/42/81/939324281.db2.gz OXCRLKAENNRCQD-KRWDZBQOSA-N 0 1 387.505 3.010 20 0 GGADMN CC[C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000908809675 939324528 /nfs/dbraw/zinc/32/45/28/939324528.db2.gz OPYRQLAPVMUNBU-NZQKXSOJSA-N 0 1 395.503 3.123 20 0 GGADMN CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000908810177 939324727 /nfs/dbraw/zinc/32/47/27/939324727.db2.gz DOVCUWUANSDNCC-FXAWDEMLSA-N 0 1 399.466 3.088 20 0 GGADMN C[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000908812853 939325974 /nfs/dbraw/zinc/32/59/74/939325974.db2.gz HZOGNELRIRVODN-HSMVNMDESA-N 0 1 385.867 3.024 20 0 GGADMN COc1ccc([C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C(=O)[O-])cc1Cl ZINC000908817428 939327565 /nfs/dbraw/zinc/32/75/65/939327565.db2.gz GCDCMTKICXJAKC-IGCXYCKISA-N 0 1 397.903 3.036 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])ccc1F ZINC000908818561 939327618 /nfs/dbraw/zinc/32/76/18/939327618.db2.gz WWJGCCDJDUDKJN-GOSISDBHSA-N 0 1 379.476 3.214 20 0 GGADMN CC[C@@](NC(=O)NCCC[N@@H+](C)C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000908817478 939327625 /nfs/dbraw/zinc/32/76/25/939327625.db2.gz QOCQKHWPVUCZDN-NRFANRHFSA-N 0 1 375.513 3.330 20 0 GGADMN CC[C@@](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000908820069 939327828 /nfs/dbraw/zinc/32/78/28/939327828.db2.gz JUAHACPOXDQGME-FVJLSDCUSA-N 0 1 375.513 3.044 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C(=O)[O-])ccc1F ZINC000908820788 939328596 /nfs/dbraw/zinc/32/85/96/939328596.db2.gz SOSJCCKPHOAXLG-HXUWFJFHSA-N 0 1 399.466 3.007 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(=O)[O-])c1 ZINC000908822684 939329217 /nfs/dbraw/zinc/32/92/17/939329217.db2.gz FHXJKVISKIBLOE-HKUYNNGSSA-N 0 1 375.513 3.383 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(=O)[O-])c1C ZINC000908822672 939329305 /nfs/dbraw/zinc/32/93/05/939329305.db2.gz FEVZDRUFVVGXPG-QFBILLFUSA-N 0 1 375.513 3.383 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(=O)[O-])ccc1F ZINC000908824043 939330039 /nfs/dbraw/zinc/33/00/39/939330039.db2.gz YRPSPEHNEZIHRB-MAUKXSAKSA-N 0 1 379.476 3.214 20 0 GGADMN Cc1cc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C(=O)[O-])ccc1F ZINC000908824042 939330138 /nfs/dbraw/zinc/33/01/38/939330138.db2.gz YRPSPEHNEZIHRB-CRAIPNDOSA-N 0 1 379.476 3.214 20 0 GGADMN CC[C@@](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)(C(=O)[O-])c1ccccc1 ZINC000908823064 939330285 /nfs/dbraw/zinc/33/02/85/939330285.db2.gz KEBUEFFVQHHBIY-UWJYYQICSA-N 0 1 375.513 3.330 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)[O-])c1 ZINC000908827357 939330898 /nfs/dbraw/zinc/33/08/98/939330898.db2.gz IJLKFHPHGQAOFP-DNVCBOLYSA-N 0 1 375.513 3.240 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)[O-])cc1C ZINC000908829046 939331711 /nfs/dbraw/zinc/33/17/11/939331711.db2.gz VAOBKDLUDKGJLP-DNVCBOLYSA-N 0 1 375.513 3.240 20 0 GGADMN Cc1ccc([C@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1C ZINC000908846824 939334908 /nfs/dbraw/zinc/33/49/08/939334908.db2.gz DCQPGFQJWJPLDL-RTWAWAEBSA-N 0 1 395.503 3.393 20 0 GGADMN CCC1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000908846813 939335108 /nfs/dbraw/zinc/33/51/08/939335108.db2.gz CYODDTNMAHDPMZ-OZWAEMERSA-N 0 1 387.524 3.374 20 0 GGADMN Cc1cccc([C@@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1C ZINC000908847680 939335599 /nfs/dbraw/zinc/33/55/99/939335599.db2.gz RTZCBTYSVBLDPW-PZJWPPBQSA-N 0 1 395.503 3.393 20 0 GGADMN CCC1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)(C(=O)[O-])CC1 ZINC000908851103 939335935 /nfs/dbraw/zinc/33/59/35/939335935.db2.gz DYOGRUDEICWJOS-ZUIJCZDSSA-N 0 1 393.553 3.218 20 0 GGADMN CCC1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)(C(=O)[O-])CC1 ZINC000908851103 939335938 /nfs/dbraw/zinc/33/59/38/939335938.db2.gz DYOGRUDEICWJOS-ZUIJCZDSSA-N 0 1 393.553 3.218 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000908877351 939343216 /nfs/dbraw/zinc/34/32/16/939343216.db2.gz FMPYGGTXXWDVCT-JOCHJYFZSA-N 0 1 383.492 3.328 20 0 GGADMN C[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)Cc1ccccc1 ZINC000908876571 939343315 /nfs/dbraw/zinc/34/33/15/939343315.db2.gz YFDSDSKNYVXKAG-KRWDZBQOSA-N 0 1 393.846 3.036 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000908880767 939343568 /nfs/dbraw/zinc/34/35/68/939343568.db2.gz DMNVTQZGFNZUAQ-MLGOLLRUSA-N 0 1 399.894 3.415 20 0 GGADMN CC[C@@](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000908882566 939343789 /nfs/dbraw/zinc/34/37/89/939343789.db2.gz ONOQQFBNDUMYCK-IERDGZPVSA-N 0 1 375.513 3.186 20 0 GGADMN Cc1cc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C(=O)[O-])ccc1F ZINC000908883428 939344251 /nfs/dbraw/zinc/34/42/51/939344251.db2.gz XRAYANMQVSZKEW-DYVFJYSZSA-N 0 1 379.476 3.070 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000908884217 939344795 /nfs/dbraw/zinc/34/47/95/939344795.db2.gz YPTPCMSITRJOCM-FQEVSTJZSA-N 0 1 383.492 3.380 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000908884664 939345086 /nfs/dbraw/zinc/34/50/86/939345086.db2.gz MJRKIFGAVMYRFT-ZWDAVXSWSA-N 0 1 381.476 3.121 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccs1 ZINC000908892379 939346410 /nfs/dbraw/zinc/34/64/10/939346410.db2.gz GSKDBZTZYMKMGV-CJNGLKHVSA-N 0 1 393.534 3.147 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000908905715 939349215 /nfs/dbraw/zinc/34/92/15/939349215.db2.gz YUWLSBGQPZUBEG-WBMJQRKESA-N 0 1 385.867 3.024 20 0 GGADMN O=C([O-])C1(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCCC1 ZINC000908909423 939349402 /nfs/dbraw/zinc/34/94/02/939349402.db2.gz YQGXZOGRARENTM-IBGZPJMESA-N 0 1 387.524 3.028 20 0 GGADMN Cc1ccc([C@@H](NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C(=O)[O-])cc1C ZINC000908911505 939349762 /nfs/dbraw/zinc/34/97/62/939349762.db2.gz BKJASONWRMFEKY-LAUBAEHRSA-N 0 1 395.503 3.175 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000908912438 939350209 /nfs/dbraw/zinc/35/02/09/939350209.db2.gz JPYFXBIQHPSAGO-UWJYYQICSA-N 0 1 395.503 3.175 20 0 GGADMN C[C@@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000908913997 939350895 /nfs/dbraw/zinc/35/08/95/939350895.db2.gz SEPHQUAWDHECFK-JXFKEZNVSA-N 0 1 387.524 3.156 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000908912435 939351026 /nfs/dbraw/zinc/35/10/26/939351026.db2.gz JPYFXBIQHPSAGO-DYESRHJHSA-N 0 1 395.503 3.175 20 0 GGADMN Cc1cc([C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])ccc1F ZINC000908925862 939354833 /nfs/dbraw/zinc/35/48/33/939354833.db2.gz XMYBXYQWGFGISM-FXAWDEMLSA-N 0 1 399.466 3.081 20 0 GGADMN CC[C@@](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908925578 939354943 /nfs/dbraw/zinc/35/49/43/939354943.db2.gz SDTQJOWSAWRMQK-XXBNENTESA-N 0 1 395.503 3.198 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000908927713 939355274 /nfs/dbraw/zinc/35/52/74/939355274.db2.gz LYVXZGMXWUVLQU-GTNSWQLSSA-N 0 1 390.311 3.323 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000908936509 939357241 /nfs/dbraw/zinc/35/72/41/939357241.db2.gz NJFYLRNHSLOJOK-DHJUGAMNSA-N 0 1 395.503 3.339 20 0 GGADMN CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908937024 939357906 /nfs/dbraw/zinc/35/79/06/939357906.db2.gz QOYLNWAUHSSWIG-QFBILLFUSA-N 0 1 381.904 3.204 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000908938293 939357924 /nfs/dbraw/zinc/35/79/24/939357924.db2.gz ZNRGPZJQHDUTIL-OXFYSEKESA-N 0 1 399.466 3.304 20 0 GGADMN CC[C@@](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908941665 939359300 /nfs/dbraw/zinc/35/93/00/939359300.db2.gz TWWADAIFSHSGFE-YKSBVNFPSA-N 0 1 394.515 3.447 20 0 GGADMN CC[C@](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908943777 939359736 /nfs/dbraw/zinc/35/97/36/939359736.db2.gz QJLJHUMEQFGWNC-AUSIDOKSSA-N 0 1 380.488 3.405 20 0 GGADMN CC[C@](NC(=O)NCC[N@@H+](C)C1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908943589 939359888 /nfs/dbraw/zinc/35/98/88/939359888.db2.gz MQVVBTPHCJRRSR-LJQANCHMSA-N 0 1 381.904 3.204 20 0 GGADMN CC[C@](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000908943788 939360026 /nfs/dbraw/zinc/36/00/26/939360026.db2.gz QJLJHUMEQFGWNC-WMZHIEFXSA-N 0 1 380.488 3.405 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000908960514 939361592 /nfs/dbraw/zinc/36/15/92/939361592.db2.gz ASEYDGPDCGGEDB-HRAATJIYSA-N 0 1 375.513 3.186 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)C1 ZINC000908961459 939362530 /nfs/dbraw/zinc/36/25/30/939362530.db2.gz OXPURGFHPOPLFU-CRAIPNDOSA-N 0 1 391.512 3.021 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000908975762 939363668 /nfs/dbraw/zinc/36/36/68/939363668.db2.gz JQXRFWXHYXNOSK-OXJNMPFZSA-N 0 1 383.492 3.243 20 0 GGADMN Cc1cccc([C@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908989118 939367477 /nfs/dbraw/zinc/36/74/77/939367477.db2.gz NACDHINKNDELGY-UZLBHIALSA-N 0 1 383.492 3.249 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C(=O)[O-])c1C ZINC000908989110 939367488 /nfs/dbraw/zinc/36/74/88/939367488.db2.gz NACDHINKNDELGY-OXQOHEQNSA-N 0 1 383.492 3.249 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000908992235 939368108 /nfs/dbraw/zinc/36/81/08/939368108.db2.gz GYJTYMQNSILKIC-WMLDXEAASA-N 0 1 397.903 3.038 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000908992297 939368130 /nfs/dbraw/zinc/36/81/30/939368130.db2.gz JIJRFBSKMHPQBF-BBRMVZONSA-N 0 1 385.867 3.169 20 0 GGADMN Cc1cc([C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C(=O)[O-])ccc1F ZINC000909001424 939369437 /nfs/dbraw/zinc/36/94/37/939369437.db2.gz LFJXAHVVTQHTFF-XPGWFJOJSA-N 0 1 399.466 3.222 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000909001414 939369527 /nfs/dbraw/zinc/36/95/27/939369527.db2.gz KXCLPJMUPXDIFM-UXPWSPDFSA-N 0 1 387.524 3.372 20 0 GGADMN Cc1cc(C)cc([C@@H](NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000908998496 939369538 /nfs/dbraw/zinc/36/95/38/939369538.db2.gz SODDJQFFWGFWSW-NHCUHLMSSA-N 0 1 395.503 3.393 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C(=O)[O-])c1 ZINC000909002145 939370062 /nfs/dbraw/zinc/37/00/62/939370062.db2.gz PUPOKPRINHOMHF-QMMLZNLJSA-N 0 1 395.503 3.391 20 0 GGADMN O=C([O-])[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(F)ccc1F ZINC000909025770 939371076 /nfs/dbraw/zinc/37/10/76/939371076.db2.gz DNGCSSAEPQJCJK-CRAIPNDOSA-N 0 1 395.450 3.187 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1F ZINC000909026084 939371746 /nfs/dbraw/zinc/37/17/46/939371746.db2.gz GEDOPAOZXNDLDK-YJBOKZPZSA-N 0 1 377.460 3.048 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCc2ccccc21 ZINC000909026800 939372039 /nfs/dbraw/zinc/37/20/39/939372039.db2.gz JXEOKAMSXFYEAY-PGRDOPGGSA-N 0 1 385.508 3.009 20 0 GGADMN CC[C@@](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909057516 939375242 /nfs/dbraw/zinc/37/52/42/939375242.db2.gz YNJRNAUWXHBLLG-KUHUBIRLSA-N 0 1 381.904 3.061 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909059421 939375516 /nfs/dbraw/zinc/37/55/16/939375516.db2.gz WRKAORFZQDALEC-HNNXBMFYSA-N 0 1 398.385 3.116 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909059424 939375546 /nfs/dbraw/zinc/37/55/46/939375546.db2.gz WRKAORFZQDALEC-OAHLLOKOSA-N 0 1 398.385 3.116 20 0 GGADMN CCC1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)(C(=O)[O-])CC1 ZINC000909066525 939376071 /nfs/dbraw/zinc/37/60/71/939376071.db2.gz IHMKYZIYJXPOMM-KJUWTFRMSA-N 0 1 387.524 3.230 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)[C@@H]1c1cccs1 ZINC000909069147 939376739 /nfs/dbraw/zinc/37/67/39/939376739.db2.gz YPVQRTFGCPOXAM-DAXOMENPSA-N 0 1 393.534 3.318 20 0 GGADMN Cc1cc([C@H](NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[O-])ccc1F ZINC000909071436 939377193 /nfs/dbraw/zinc/37/71/93/939377193.db2.gz YDOXKBJOJZWBPN-YSSFQJQWSA-N 0 1 399.466 3.080 20 0 GGADMN Cc1ccc([C@H](NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[O-])cc1C ZINC000909071338 939377323 /nfs/dbraw/zinc/37/73/23/939377323.db2.gz VWJLJVJARVIJGN-YYWHXJBOSA-N 0 1 395.503 3.249 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000909095755 939380155 /nfs/dbraw/zinc/38/01/55/939380155.db2.gz WESFMRLZBMZOQQ-UXPWSPDFSA-N 0 1 387.524 3.372 20 0 GGADMN CC[C@](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909094248 939380272 /nfs/dbraw/zinc/38/02/72/939380272.db2.gz IMXPDCWZBKCDGR-XTQVGHSUSA-N 0 1 395.503 3.339 20 0 GGADMN CC[C@](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909094246 939380312 /nfs/dbraw/zinc/38/03/12/939380312.db2.gz IMXPDCWZBKCDGR-HCLVMJGWSA-N 0 1 395.503 3.339 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000909094852 939380586 /nfs/dbraw/zinc/38/05/86/939380586.db2.gz QFAAFBYLXFHRIJ-YYWHXJBOSA-N 0 1 395.503 3.391 20 0 GGADMN COc1ccc([C@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000909136628 939384211 /nfs/dbraw/zinc/38/42/11/939384211.db2.gz JWYDXTXAZHDWPL-JXFKEZNVSA-N 0 1 399.491 3.031 20 0 GGADMN COc1ccc([C@@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000909136630 939384268 /nfs/dbraw/zinc/38/42/68/939384268.db2.gz JWYDXTXAZHDWPL-OXQOHEQNSA-N 0 1 399.491 3.031 20 0 GGADMN C[C@@H](CCNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000909136295 939384285 /nfs/dbraw/zinc/38/42/85/939384285.db2.gz GIZNBIJJVIGQQW-JTSKRJEESA-N 0 1 383.492 3.196 20 0 GGADMN C[N@@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000909137886 939384844 /nfs/dbraw/zinc/38/48/44/939384844.db2.gz DLDWQWGHUDRUOI-OAHLLOKOSA-N 0 1 387.402 3.005 20 0 GGADMN CCC1CCC(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)(C(=O)[O-])CC1 ZINC000909316218 939392753 /nfs/dbraw/zinc/39/27/53/939392753.db2.gz HPGRLELYJFWXDX-WWAKMMQFSA-N 0 1 386.536 3.481 20 0 GGADMN C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000909392778 939400948 /nfs/dbraw/zinc/40/09/48/939400948.db2.gz NMUJTJMMOCOMLH-KPZWWZAWSA-N 0 1 390.842 3.168 20 0 GGADMN C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000909392778 939400950 /nfs/dbraw/zinc/40/09/50/939400950.db2.gz NMUJTJMMOCOMLH-KPZWWZAWSA-N 0 1 390.842 3.168 20 0 GGADMN O=C([O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000909631815 939723684 /nfs/dbraw/zinc/72/36/84/939723684.db2.gz BXEABYUJWFCLPW-YOEHRIQHSA-N 0 1 376.453 3.041 20 0 GGADMN Cc1cc([C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C(=O)[O-])ccc1F ZINC000909790657 939728319 /nfs/dbraw/zinc/72/83/19/939728319.db2.gz AXBHGROWCDPBRZ-HXUWFJFHSA-N 0 1 395.434 3.159 20 0 GGADMN Cc1cc([C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C(=O)[O-])ccc1F ZINC000909790657 939728322 /nfs/dbraw/zinc/72/83/22/939728322.db2.gz AXBHGROWCDPBRZ-HXUWFJFHSA-N 0 1 395.434 3.159 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C(=O)[O-])c1 ZINC000909791668 939729389 /nfs/dbraw/zinc/72/93/89/939729389.db2.gz HNOHNJAPVDILOB-NRFANRHFSA-N 0 1 391.471 3.328 20 0 GGADMN Cc1cc(C)cc([C@H](NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C(=O)[O-])c1 ZINC000909791668 939729392 /nfs/dbraw/zinc/72/93/92/939729392.db2.gz 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QWFUFHPHISCJTF-UHFFFAOYSA-N 0 1 395.228 3.357 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C(=O)[O-])cc1 ZINC000324631027 971140673 /nfs/dbraw/zinc/14/06/73/971140673.db2.gz QWFUFHPHISCJTF-UHFFFAOYSA-N 0 1 395.228 3.357 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1 ZINC001602190516 971172435 /nfs/dbraw/zinc/17/24/35/971172435.db2.gz UZOAJBZARZLUHR-JKSUJKDBSA-N 0 1 385.370 3.315 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000325023643 971176588 /nfs/dbraw/zinc/17/65/88/971176588.db2.gz JLWDJEFDCIWWAE-MRXNPFEDSA-N 0 1 391.221 3.369 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000325023643 971176594 /nfs/dbraw/zinc/17/65/94/971176594.db2.gz JLWDJEFDCIWWAE-MRXNPFEDSA-N 0 1 391.221 3.369 20 0 GGADMN Brc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCO2)c(-c2nn[nH]n2)c1 ZINC001573279372 946638843 /nfs/dbraw/zinc/63/88/43/946638843.db2.gz ICYFRNSBTHGUJW-CVEARBPZSA-N 0 1 392.301 3.163 20 0 GGADMN 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XWKUOFJLGMURND-DGCLKSJQSA-N 0 1 396.509 3.380 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](CC)CC[C@H]2C)c(C(=O)[O-])c1C ZINC001591467317 951153597 /nfs/dbraw/zinc/15/35/97/951153597.db2.gz XWKUOFJLGMURND-DGCLKSJQSA-N 0 1 396.509 3.380 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379604731 951169228 /nfs/dbraw/zinc/16/92/28/951169228.db2.gz AACAYEBEJSHOOY-UWJYYQICSA-N 0 1 375.513 3.183 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001595012413 951260743 /nfs/dbraw/zinc/26/07/43/951260743.db2.gz FIFGUJYIYDJACG-HUUCEWRRSA-N 0 1 376.280 3.452 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001595012412 951261338 /nfs/dbraw/zinc/26/13/38/951261338.db2.gz FIFGUJYIYDJACG-GJZGRUSLSA-N 0 1 376.280 3.452 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC001595012439 951261357 /nfs/dbraw/zinc/26/13/57/951261357.db2.gz GHCBUPBDCVQMEK-INIZCTEOSA-N 0 1 388.464 3.386 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC001595012924 951271492 /nfs/dbraw/zinc/27/14/92/951271492.db2.gz WOWPNLKWWADAQI-MRXNPFEDSA-N 0 1 388.489 3.068 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000381036674 971732610 /nfs/dbraw/zinc/73/26/10/971732610.db2.gz YXZGRKAAHGKQEG-CYBMUJFWSA-N 0 1 375.375 3.059 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC001595018757 951304528 /nfs/dbraw/zinc/30/45/28/951304528.db2.gz CYAMXMYLBNUHHD-KRWDZBQOSA-N 0 1 395.503 3.360 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001595019630 951316087 /nfs/dbraw/zinc/31/60/87/951316087.db2.gz WMLINRWOKVILAT-IUODEOHRSA-N 0 1 376.280 3.310 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001595019629 951316113 /nfs/dbraw/zinc/31/61/13/951316113.db2.gz WMLINRWOKVILAT-DOMZBBRYSA-N 0 1 376.280 3.310 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 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398.876 3.483 20 0 GGADMN C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(F)cc(Cl)c1O ZINC001575190270 952460868 /nfs/dbraw/zinc/46/08/68/952460868.db2.gz RRPCCJJWAAXEES-VIFPVBQESA-N 0 1 375.791 3.182 20 0 GGADMN C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC001575191884 952469823 /nfs/dbraw/zinc/46/98/23/952469823.db2.gz ZIKBIQSQNPJYIN-SNVBAGLBSA-N 0 1 397.389 3.498 20 0 GGADMN C[C@@H](Cc1ccsc1)N(C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001575200717 952498077 /nfs/dbraw/zinc/49/80/77/952498077.db2.gz FOPOPHCGGDKMJX-LBPRGKRZSA-N 0 1 381.465 3.041 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001575201799 952506433 /nfs/dbraw/zinc/50/64/33/952506433.db2.gz QPKHDMOKFYSEAA-ZDUSSCGKSA-N 0 1 389.419 3.199 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001602911429 971859579 /nfs/dbraw/zinc/85/95/79/971859579.db2.gz QHVZVJKYOFGINS-INIZCTEOSA-N 0 1 392.496 3.134 20 0 GGADMN CC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001593604326 953420977 /nfs/dbraw/zinc/42/09/77/953420977.db2.gz AQMRCWLFCCGPJF-TXTKFYIRSA-N 0 1 380.488 3.056 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000422595635 953425844 /nfs/dbraw/zinc/42/58/44/953425844.db2.gz ZRYRJXTUOQSAGV-MDYRTPRTSA-N 0 1 386.517 3.386 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424261754 953441557 /nfs/dbraw/zinc/44/15/57/953441557.db2.gz PKJRCSXKINRDHU-GOSISDBHSA-N 0 1 398.507 3.455 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H]1C(=O)[O-] ZINC000424266345 953445530 /nfs/dbraw/zinc/44/55/30/953445530.db2.gz KVKZOUYWYPFQPM-VGSWGCGISA-N 0 1 380.488 3.467 20 0 GGADMN CCC(CC)(CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000424399132 953463784 /nfs/dbraw/zinc/46/37/84/953463784.db2.gz WTPMVSCPNCORHN-UHFFFAOYSA-N 0 1 375.513 3.014 20 0 GGADMN CCC(CC)(CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000424401473 953466607 /nfs/dbraw/zinc/46/66/07/953466607.db2.gz AGKVMEXOQNGYCI-DLBZAZTESA-N 0 1 375.513 3.182 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000424404303 953468547 /nfs/dbraw/zinc/46/85/47/953468547.db2.gz CBMCHFJZCJCDTC-DFQSSKMNSA-N 0 1 389.540 3.428 20 0 GGADMN CCC[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424407241 953471627 /nfs/dbraw/zinc/47/16/27/953471627.db2.gz SCKULZWFCCSGMT-SFHVURJKSA-N 0 1 375.513 3.183 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424407251 953472343 /nfs/dbraw/zinc/47/23/43/953472343.db2.gz GZTNDVLENKRBRD-RBUKOAKNSA-N 0 1 375.513 3.039 20 0 GGADMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1c1ccc(F)cc1F ZINC000424412005 953476586 /nfs/dbraw/zinc/47/65/86/953476586.db2.gz MACYUBKWHPZZDY-DLBZAZTESA-N 0 1 375.371 3.052 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001589279993 953484948 /nfs/dbraw/zinc/48/49/48/953484948.db2.gz SPXCSQXMKUVJTD-NVXWUHKLSA-N 0 1 399.516 3.355 20 0 GGADMN CC(C)C[C@H](CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424455074 953488252 /nfs/dbraw/zinc/48/82/52/953488252.db2.gz UNJOFEFLZWBXPZ-YSIASYRMSA-N 0 1 389.540 3.333 20 0 GGADMN CCC(CC)(CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424449581 953488603 /nfs/dbraw/zinc/48/86/03/953488603.db2.gz LTAALASVQYBTNT-MJGOQNOKSA-N 0 1 389.540 3.477 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280265 953494730 /nfs/dbraw/zinc/49/47/30/953494730.db2.gz YEPGTRVVOZWBHT-STQMWFEESA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280265 953494738 /nfs/dbraw/zinc/49/47/38/953494738.db2.gz YEPGTRVVOZWBHT-STQMWFEESA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769347 953548559 /nfs/dbraw/zinc/54/85/59/953548559.db2.gz OQQQRKGQGMDAOA-GPMSIDNRSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769347 953548565 /nfs/dbraw/zinc/54/85/65/953548565.db2.gz OQQQRKGQGMDAOA-GPMSIDNRSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589284729 953550166 /nfs/dbraw/zinc/55/01/66/953550166.db2.gz CMGUTQUEHOQQHG-XDNAFOTISA-N 0 1 377.529 3.037 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000529221806 953555451 /nfs/dbraw/zinc/55/54/51/953555451.db2.gz HOHOAOYJRYJQLT-OAQYLSRUSA-N 0 1 395.503 3.437 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000530210242 953559219 /nfs/dbraw/zinc/55/92/19/953559219.db2.gz ZOHNKPKBAJWAPB-FPOVZHCZSA-N 0 1 384.501 3.161 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000530210242 953559235 /nfs/dbraw/zinc/55/92/35/953559235.db2.gz ZOHNKPKBAJWAPB-FPOVZHCZSA-N 0 1 384.501 3.161 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000530210243 953559399 /nfs/dbraw/zinc/55/93/99/953559399.db2.gz ZOHNKPKBAJWAPB-PZJWPPBQSA-N 0 1 384.501 3.161 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000530210243 953559408 /nfs/dbraw/zinc/55/94/08/953559408.db2.gz ZOHNKPKBAJWAPB-PZJWPPBQSA-N 0 1 384.501 3.161 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000530212720 953559806 /nfs/dbraw/zinc/55/98/06/953559806.db2.gz MPZVXPPJKIUAJG-LSDHHAIUSA-N 0 1 376.815 3.218 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H](CC(=O)[O-])C3)CC2)cc1 ZINC000532881314 953567874 /nfs/dbraw/zinc/56/78/74/953567874.db2.gz NIKLMBXSXAFGPQ-OAQYLSRUSA-N 0 1 386.536 3.353 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)NCCCCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589288116 953581523 /nfs/dbraw/zinc/58/15/23/953581523.db2.gz AWJLAGDGRMXALM-IEBWSBKVSA-N 0 1 375.513 3.326 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000563139948 953594273 /nfs/dbraw/zinc/59/42/73/953594273.db2.gz BZTCBHVMSSPBLI-HBMCJLEFSA-N 0 1 396.462 3.117 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000563139948 953594278 /nfs/dbraw/zinc/59/42/78/953594278.db2.gz BZTCBHVMSSPBLI-HBMCJLEFSA-N 0 1 396.462 3.117 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000563127070 953595252 /nfs/dbraw/zinc/59/52/52/953595252.db2.gz VSOJQHLACXFBQZ-YOEHRIQHSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000563127070 953595259 /nfs/dbraw/zinc/59/52/59/953595259.db2.gz VSOJQHLACXFBQZ-YOEHRIQHSA-N 0 1 387.505 3.175 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[N@@H+]1Cc1ccccc1 ZINC001589291319 953601351 /nfs/dbraw/zinc/60/13/51/953601351.db2.gz CQRZEHBAFBHRGI-HOJAQTOUSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[N@H+]1Cc1ccccc1 ZINC001589291319 953601358 /nfs/dbraw/zinc/60/13/58/953601358.db2.gz CQRZEHBAFBHRGI-HOJAQTOUSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[N@@H+]1Cc1ccccc1 ZINC001589291322 953601549 /nfs/dbraw/zinc/60/15/49/953601549.db2.gz CQRZEHBAFBHRGI-YZGWKJHDSA-N 0 1 397.519 3.333 20 0 GGADMN C[C@@H]1C[C@@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[N@H+]1Cc1ccccc1 ZINC001589291322 953601557 /nfs/dbraw/zinc/60/15/57/953601557.db2.gz CQRZEHBAFBHRGI-YZGWKJHDSA-N 0 1 397.519 3.333 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC1(O)CCC(C(=O)[O-])CC1 ZINC000565101593 953612748 /nfs/dbraw/zinc/61/27/48/953612748.db2.gz QFVZDLGZUWHSGJ-UHFFFAOYSA-N 0 1 385.508 3.235 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000567110089 953629868 /nfs/dbraw/zinc/62/98/68/953629868.db2.gz QRNPCTVCRPMSIS-ZWKOTPCHSA-N 0 1 386.879 3.147 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@@H]1C(=O)[O-] ZINC000571680110 953663717 /nfs/dbraw/zinc/66/37/17/953663717.db2.gz IOZGSZQLACODPF-JQWIXIFHSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@@H]1C(=O)[O-] ZINC000571680110 953663735 /nfs/dbraw/zinc/66/37/35/953663735.db2.gz IOZGSZQLACODPF-JQWIXIFHSA-N 0 1 395.431 3.069 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000572250159 953668340 /nfs/dbraw/zinc/66/83/40/953668340.db2.gz IMTISMGRSPJEBJ-KDOFPFPSSA-N 0 1 395.377 3.129 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000574810537 953679805 /nfs/dbraw/zinc/67/98/05/953679805.db2.gz JUDLSKCQXTYYGR-OTWHNJEPSA-N 0 1 384.863 3.246 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000575311665 953683804 /nfs/dbraw/zinc/68/38/04/953683804.db2.gz SDOUAJYSWNTGMD-CFLQYTFWSA-N 0 1 376.472 3.358 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001594788795 953684102 /nfs/dbraw/zinc/68/41/02/953684102.db2.gz ASBMGTGDZPQOGL-MHTWAQMVSA-N 0 1 384.520 3.294 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000577750685 953695780 /nfs/dbraw/zinc/69/57/80/953695780.db2.gz RGFRFODYWISCNV-YWMUFLPLSA-N 0 1 398.528 3.265 20 0 GGADMN COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)CCC(=O)[O-])CC2 ZINC000578073443 953699265 /nfs/dbraw/zinc/69/92/65/953699265.db2.gz LVUMLHCYPPUGBY-UHFFFAOYSA-N 0 1 398.459 3.065 20 0 GGADMN COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)CCC(=O)[O-])CC2 ZINC000578073443 953699273 /nfs/dbraw/zinc/69/92/73/953699273.db2.gz LVUMLHCYPPUGBY-UHFFFAOYSA-N 0 1 398.459 3.065 20 0 GGADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)cc2)cc1 ZINC000579472790 953708626 /nfs/dbraw/zinc/70/86/26/953708626.db2.gz OYMOUPOWBYBEHU-OXJNMPFZSA-N 0 1 387.501 3.370 20 0 GGADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)cc2)cc1 ZINC000579472790 953708629 /nfs/dbraw/zinc/70/86/29/953708629.db2.gz OYMOUPOWBYBEHU-OXJNMPFZSA-N 0 1 387.501 3.370 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589303752 953717490 /nfs/dbraw/zinc/71/74/90/953717490.db2.gz CIHWQTMAHPHOEO-NQSCKRDGSA-N 0 1 392.499 3.346 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000581827126 953721451 /nfs/dbraw/zinc/72/14/51/953721451.db2.gz DFJUGXMEIMGAQO-HXUWFJFHSA-N 0 1 380.488 3.277 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304123 953722908 /nfs/dbraw/zinc/72/29/08/953722908.db2.gz FKPMULJTXYBILW-CHWSQXEVSA-N 0 1 398.488 3.415 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304123 953722918 /nfs/dbraw/zinc/72/29/18/953722918.db2.gz FKPMULJTXYBILW-CHWSQXEVSA-N 0 1 398.488 3.415 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000582420494 953723497 /nfs/dbraw/zinc/72/34/97/953723497.db2.gz TXXAPBLIJRXSTN-WBVHZDCISA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000582420494 953723509 /nfs/dbraw/zinc/72/35/09/953723509.db2.gz TXXAPBLIJRXSTN-WBVHZDCISA-N 0 1 380.444 3.041 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)s2)c1 ZINC000583630534 953728017 /nfs/dbraw/zinc/72/80/17/953728017.db2.gz HBLVYAVFUMFZNI-YOEHRIQHSA-N 0 1 387.505 3.023 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)s2)c1 ZINC000583630534 953728025 /nfs/dbraw/zinc/72/80/25/953728025.db2.gz HBLVYAVFUMFZNI-YOEHRIQHSA-N 0 1 387.505 3.023 20 0 GGADMN C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000583440458 953728990 /nfs/dbraw/zinc/72/89/90/953728990.db2.gz GFLMLWAGSKSOBD-PXNSSMCTSA-N 0 1 380.488 3.325 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)s2)c1 ZINC000583630533 953729295 /nfs/dbraw/zinc/72/92/95/953729295.db2.gz HBLVYAVFUMFZNI-WMLDXEAASA-N 0 1 387.505 3.023 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)s2)c1 ZINC000583630533 953729305 /nfs/dbraw/zinc/72/93/05/953729305.db2.gz HBLVYAVFUMFZNI-WMLDXEAASA-N 0 1 387.505 3.023 20 0 GGADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000583386641 953729466 /nfs/dbraw/zinc/72/94/66/953729466.db2.gz GASYHYGEYKACBQ-CYBMUJFWSA-N 0 1 386.395 3.423 20 0 GGADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000583386641 953729476 /nfs/dbraw/zinc/72/94/76/953729476.db2.gz GASYHYGEYKACBQ-CYBMUJFWSA-N 0 1 386.395 3.423 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000584172453 953732586 /nfs/dbraw/zinc/73/25/86/953732586.db2.gz QVKBOMZSBKECDE-JQWIXIFHSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000584172453 953732593 /nfs/dbraw/zinc/73/25/93/953732593.db2.gz QVKBOMZSBKECDE-JQWIXIFHSA-N 0 1 395.431 3.212 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000584573445 953733840 /nfs/dbraw/zinc/73/38/40/953733840.db2.gz UDJNULOPDVYKQB-MRXNPFEDSA-N 0 1 380.444 3.043 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000584573445 953733850 /nfs/dbraw/zinc/73/38/50/953733850.db2.gz UDJNULOPDVYKQB-MRXNPFEDSA-N 0 1 380.444 3.043 20 0 GGADMN O=C([O-])c1ccc(Br)c(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001594800403 953733915 /nfs/dbraw/zinc/73/39/15/953733915.db2.gz RDTUNTTZMUPDAA-DZGCQCFKSA-N 0 1 396.285 3.286 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001594801612 953741129 /nfs/dbraw/zinc/74/11/29/953741129.db2.gz ICMBOOKGOSPTII-QYZOEREBSA-N 0 1 394.475 3.202 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001589308591 953776034 /nfs/dbraw/zinc/77/60/34/953776034.db2.gz VVMNGNMUDGOPDH-CHWSQXEVSA-N 0 1 395.525 3.121 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[C@@H]1C(=O)[O-] ZINC000626746577 953800090 /nfs/dbraw/zinc/80/00/90/953800090.db2.gz UYCWCWWBYDISCV-UWVAXJGDSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[C@@H]1C(=O)[O-] ZINC000626759861 953813181 /nfs/dbraw/zinc/81/31/81/953813181.db2.gz UQWNDOYUHACWLV-BVJIBDCISA-N 0 1 399.535 3.039 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000629495863 953826260 /nfs/dbraw/zinc/82/62/60/953826260.db2.gz NRVBIYIMWPOJQH-WMLDXEAASA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000629495863 953826277 /nfs/dbraw/zinc/82/62/77/953826277.db2.gz NRVBIYIMWPOJQH-WMLDXEAASA-N 0 1 387.505 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC[C@H]1C(=O)[O-] ZINC000629495235 953826809 /nfs/dbraw/zinc/82/68/09/953826809.db2.gz HXXKEGZHYHKZGH-LXGCGDOSSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000629499179 953830052 /nfs/dbraw/zinc/83/00/52/953830052.db2.gz SKPCGJLKYZDURM-DOTOQJQBSA-N 0 1 398.507 3.151 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC[C@H]1C(=O)[O-] ZINC000629497255 953830383 /nfs/dbraw/zinc/83/03/83/953830383.db2.gz BEFLDUFUSZZHTJ-ZYHUDNBSSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC[C@H]1C(=O)[O-] ZINC000629497255 953830394 /nfs/dbraw/zinc/83/03/94/953830394.db2.gz BEFLDUFUSZZHTJ-ZYHUDNBSSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000629503233 953831666 /nfs/dbraw/zinc/83/16/66/953831666.db2.gz VPUXXRHGELHZNG-OXFYSEKESA-N 0 1 386.517 3.386 20 0 GGADMN 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CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])C1 ZINC001589325693 953906211 /nfs/dbraw/zinc/90/62/11/953906211.db2.gz QRKCRIUZAKAGMS-ZHRRBRCNSA-N 0 1 397.519 3.120 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000643865280 953912611 /nfs/dbraw/zinc/91/26/11/953912611.db2.gz MQMBSEULMIXGMN-ROUUACIJSA-N 0 1 390.524 3.417 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646142420 953921540 /nfs/dbraw/zinc/92/15/40/953921540.db2.gz OWILDILRHSYBRQ-KRWDZBQOSA-N 0 1 387.524 3.457 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000646150507 953930577 /nfs/dbraw/zinc/93/05/77/953930577.db2.gz DOSKNBQFEOVCSR-GOEBONIOSA-N 0 1 379.526 3.027 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646150829 953930812 /nfs/dbraw/zinc/93/08/12/953930812.db2.gz WRASXYNHCBMETK-UHFFFAOYSA-N 0 1 399.491 3.308 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646150829 953930820 /nfs/dbraw/zinc/93/08/20/953930820.db2.gz WRASXYNHCBMETK-UHFFFAOYSA-N 0 1 399.491 3.308 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000646150509 953930899 /nfs/dbraw/zinc/93/08/99/953930899.db2.gz DOSKNBQFEOVCSR-ZBFHGGJFSA-N 0 1 379.526 3.027 20 0 GGADMN O=C([O-])c1cc(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001594824369 953932891 /nfs/dbraw/zinc/93/28/91/953932891.db2.gz GKCTXBLMJIYEAB-SFHVURJKSA-N 0 1 382.464 3.346 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@@H]1C(=O)[O-] ZINC000646154751 953935178 /nfs/dbraw/zinc/93/51/78/953935178.db2.gz DEGMWDVJDITOLP-QNDFHXLGSA-N 0 1 399.535 3.039 20 0 GGADMN CC1(C(=O)[O-])CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000647377140 953959867 /nfs/dbraw/zinc/95/98/67/953959867.db2.gz RUFMWTCDOFZKOU-UHFFFAOYSA-N 0 1 395.431 3.214 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2cccc(F)c2I)[C@H]1C(=O)[O-] ZINC001589334857 953983503 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USEDZUOPLUGPLG-GDBMZVCRSA-N 0 1 379.476 3.042 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000653308428 954121883 /nfs/dbraw/zinc/12/18/83/954121883.db2.gz KCAUJKIYLZIYKO-JKSUJKDBSA-N 0 1 398.425 3.241 20 0 GGADMN CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000653310229 954124846 /nfs/dbraw/zinc/12/48/46/954124846.db2.gz YHTUHCZBNVYDND-UHFFFAOYSA-N 0 1 389.496 3.249 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC001589355268 954126757 /nfs/dbraw/zinc/12/67/57/954126757.db2.gz OUSPCCJLMUGAED-NHYWBVRUSA-N 0 1 378.270 3.382 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001589355756 954140196 /nfs/dbraw/zinc/14/01/96/954140196.db2.gz WBNGWFLBADJCJJ-CVEARBPZSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001589355758 954140270 /nfs/dbraw/zinc/14/02/70/954140270.db2.gz WBNGWFLBADJCJJ-HZPDHXFCSA-N 0 1 392.496 3.246 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000653328538 954156854 /nfs/dbraw/zinc/15/68/54/954156854.db2.gz KGEWHGGRZAURIJ-DZFGPLHGSA-N 0 1 378.472 3.328 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329378 954158664 /nfs/dbraw/zinc/15/86/64/954158664.db2.gz VRWQRBZTVXUAEY-AQNXPRMDSA-N 0 1 382.435 3.220 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329378 954158667 /nfs/dbraw/zinc/15/86/67/954158667.db2.gz VRWQRBZTVXUAEY-AQNXPRMDSA-N 0 1 382.435 3.220 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC=CCC1 ZINC001594855455 954226662 /nfs/dbraw/zinc/22/66/62/954226662.db2.gz FEIRVHUJSYSKGT-AWWSKVOZSA-N 0 1 382.504 3.214 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(=O)[O-] ZINC000655860078 954243429 /nfs/dbraw/zinc/24/34/29/954243429.db2.gz FPCFKCUAMKAACC-LPHOPBHVSA-N 0 1 375.513 3.075 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC000655860077 954243919 /nfs/dbraw/zinc/24/39/19/954243919.db2.gz FPCFKCUAMKAACC-APWZRJJASA-N 0 1 375.513 3.075 20 0 GGADMN C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000655868790 954256491 /nfs/dbraw/zinc/25/64/91/954256491.db2.gz HCFNMSCXKDUWKK-KCITZHQASA-N 0 1 389.540 3.332 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877173 954262542 /nfs/dbraw/zinc/26/25/42/954262542.db2.gz XRPAOFRRFXYWCS-IRXDYDNUSA-N 0 1 383.920 3.379 20 0 GGADMN CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000655892837 954274223 /nfs/dbraw/zinc/27/42/23/954274223.db2.gz GJIGTYRCLAPFEB-QRQLOZEOSA-N 0 1 375.513 3.210 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000655895100 954277031 /nfs/dbraw/zinc/27/70/31/954277031.db2.gz QGVBMTLMTRZXLY-MOPGFXCFSA-N 0 1 375.513 3.039 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000655895105 954278128 /nfs/dbraw/zinc/27/81/28/954278128.db2.gz QGVBMTLMTRZXLY-RBUKOAKNSA-N 0 1 375.513 3.039 20 0 GGADMN C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902188 954283865 /nfs/dbraw/zinc/28/38/65/954283865.db2.gz OGTFJLLCWFHWCF-RYQLBKOJSA-N 0 1 389.540 3.332 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC001589382094 954284776 /nfs/dbraw/zinc/28/47/76/954284776.db2.gz DJDVSDJTQDOLCP-CABCVRRESA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001589382094 954284786 /nfs/dbraw/zinc/28/47/86/954284786.db2.gz DJDVSDJTQDOLCP-CABCVRRESA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906380 954288940 /nfs/dbraw/zinc/28/89/40/954288940.db2.gz LPLZJDWIRMBXJF-NZSAHSFTSA-N 0 1 393.572 3.419 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1F ZINC000659395601 954322006 /nfs/dbraw/zinc/32/20/06/954322006.db2.gz QCKMMCSVZDKPRF-INIZCTEOSA-N 0 1 390.459 3.256 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(=O)[O-] ZINC000659396637 954322732 /nfs/dbraw/zinc/32/27/32/954322732.db2.gz DYBTUGMLJJLDGP-YZGWKJHDSA-N 0 1 389.540 3.333 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(=O)[O-] ZINC000659398678 954323553 /nfs/dbraw/zinc/32/35/53/954323553.db2.gz WRRUENWNWCFRIO-YSIASYRMSA-N 0 1 389.540 3.476 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(=O)[O-] ZINC000659398674 954324536 /nfs/dbraw/zinc/32/45/36/954324536.db2.gz WRRUENWNWCFRIO-IHPCNDPISA-N 0 1 389.540 3.476 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCC1 ZINC000659406140 954331223 /nfs/dbraw/zinc/33/12/23/954331223.db2.gz OYHOMMMBMHXYHN-UHFFFAOYSA-N 0 1 387.524 3.328 20 0 GGADMN CC(C)(CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(=O)[O-] ZINC000659408911 954333150 /nfs/dbraw/zinc/33/31/50/954333150.db2.gz DWLGHWBNRLKCFF-GOSISDBHSA-N 0 1 387.524 3.089 20 0 GGADMN O=C([O-])COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000659750525 954350030 /nfs/dbraw/zinc/35/00/30/954350030.db2.gz AYXHQAXNLLHPSE-UHFFFAOYSA-N 0 1 389.477 3.235 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(OCC(=O)[O-])c3)cc2)C1 ZINC000659752842 954354672 /nfs/dbraw/zinc/35/46/72/954354672.db2.gz FSRZFZIMIMMAEV-QGZVFWFLSA-N 0 1 396.487 3.312 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659757696 954358558 /nfs/dbraw/zinc/35/85/58/954358558.db2.gz KBHBEGYYVFCFQY-XLIONFOSSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659757701 954360535 /nfs/dbraw/zinc/36/05/35/954360535.db2.gz KBHBEGYYVFCFQY-YLJYHZDGSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000659763630 954363267 /nfs/dbraw/zinc/36/32/67/954363267.db2.gz KANVBYUSWNHCPQ-KZNAEPCWSA-N 0 1 396.487 3.274 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659763632 954364098 /nfs/dbraw/zinc/36/40/98/954364098.db2.gz KANVBYUSWNHCPQ-OKZBNKHCSA-N 0 1 396.487 3.274 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659763634 954364207 /nfs/dbraw/zinc/36/42/07/954364207.db2.gz KANVBYUSWNHCPQ-RCCFBDPRSA-N 0 1 396.487 3.274 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC[C@H]1C(=O)[O-] ZINC001589396093 954373497 /nfs/dbraw/zinc/37/34/97/954373497.db2.gz URFWEZUKCSHPIW-GOEBONIOSA-N 0 1 388.464 3.099 20 0 GGADMN O=C([O-])c1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659783908 954374353 /nfs/dbraw/zinc/37/43/53/954374353.db2.gz CZAXXFUUVWTOKC-FQEVSTJZSA-N 0 1 378.472 3.417 20 0 GGADMN Cc1sc([C@H](C)[NH2+][C@@H]2CCN(CC(=O)[O-])C2=O)nc1-c1ccc(Cl)cc1 ZINC000662210111 954381225 /nfs/dbraw/zinc/38/12/25/954381225.db2.gz CUODTCRWRWDITO-IINYFYTJSA-N 0 1 393.896 3.108 20 0 GGADMN Cc1sc([C@@H](C)[NH2+][C@H]2CCN(CC(=O)[O-])C2=O)nc1-c1ccc(Cl)cc1 ZINC000662210113 954381779 /nfs/dbraw/zinc/38/17/79/954381779.db2.gz CUODTCRWRWDITO-YGRLFVJLSA-N 0 1 393.896 3.108 20 0 GGADMN C[N@H+]([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662207279 954382069 /nfs/dbraw/zinc/38/20/69/954382069.db2.gz WBHZYLWVRABXQC-PKOBYXMFSA-N 0 1 390.842 3.186 20 0 GGADMN C[N@@H+]([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662207279 954382083 /nfs/dbraw/zinc/38/20/83/954382083.db2.gz WBHZYLWVRABXQC-PKOBYXMFSA-N 0 1 390.842 3.186 20 0 GGADMN Cc1sc([C@H](C)[NH2+][C@H]2CCN(CC(=O)[O-])C2=O)nc1-c1ccc(Cl)cc1 ZINC000662210110 954382111 /nfs/dbraw/zinc/38/21/11/954382111.db2.gz CUODTCRWRWDITO-HZMBPMFUSA-N 0 1 393.896 3.108 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221551 954388168 /nfs/dbraw/zinc/38/81/68/954388168.db2.gz AQGZDXMKPSHVAD-YJBOKZPZSA-N 0 1 388.826 3.268 20 0 GGADMN O=C([O-])[C@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221551 954388179 /nfs/dbraw/zinc/38/81/79/954388179.db2.gz AQGZDXMKPSHVAD-YJBOKZPZSA-N 0 1 388.826 3.268 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221306 954388750 /nfs/dbraw/zinc/38/87/50/954388750.db2.gz FCQOSRAKLOBPDP-MRXNPFEDSA-N 0 1 388.851 3.361 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221123 954390727 /nfs/dbraw/zinc/39/07/27/954390727.db2.gz CQEFWBJFPUURHH-IFMALSPDSA-N 0 1 378.472 3.246 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001589398757 954390710 /nfs/dbraw/zinc/39/07/10/954390710.db2.gz IHKUPVAKULPWRK-IYBDPMFKSA-N 0 1 383.444 3.351 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001589398757 954390721 /nfs/dbraw/zinc/39/07/21/954390721.db2.gz IHKUPVAKULPWRK-IYBDPMFKSA-N 0 1 383.444 3.351 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221123 954390735 /nfs/dbraw/zinc/39/07/35/954390735.db2.gz CQEFWBJFPUURHH-IFMALSPDSA-N 0 1 378.472 3.246 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221124 954390921 /nfs/dbraw/zinc/39/09/21/954390921.db2.gz CQEFWBJFPUURHH-IRLDBZIGSA-N 0 1 378.472 3.246 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221124 954390932 /nfs/dbraw/zinc/39/09/32/954390932.db2.gz CQEFWBJFPUURHH-IRLDBZIGSA-N 0 1 378.472 3.246 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222947 954392680 /nfs/dbraw/zinc/39/26/80/954392680.db2.gz LDTFSUSOGFEMOG-UXHICEINSA-N 0 1 396.487 3.337 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222947 954392694 /nfs/dbraw/zinc/39/26/94/954392694.db2.gz LDTFSUSOGFEMOG-UXHICEINSA-N 0 1 396.487 3.337 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000662222140 954393221 /nfs/dbraw/zinc/39/32/21/954393221.db2.gz GMYWQYPRIVACOM-GOSISDBHSA-N 0 1 376.497 3.182 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC000662222140 954393227 /nfs/dbraw/zinc/39/32/27/954393227.db2.gz GMYWQYPRIVACOM-GOSISDBHSA-N 0 1 376.497 3.182 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222808 954393834 /nfs/dbraw/zinc/39/38/34/954393834.db2.gz PNNOUUUGWGYXNW-WBMJQRKESA-N 0 1 388.851 3.360 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222808 954393847 /nfs/dbraw/zinc/39/38/47/954393847.db2.gz PNNOUUUGWGYXNW-WBMJQRKESA-N 0 1 388.851 3.360 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662224051 954395319 /nfs/dbraw/zinc/39/53/19/954395319.db2.gz QWVDPNICLJFXNN-ZTFGCOKTSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662224051 954395334 /nfs/dbraw/zinc/39/53/34/954395334.db2.gz QWVDPNICLJFXNN-ZTFGCOKTSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(I)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC001589399008 954396727 /nfs/dbraw/zinc/39/67/27/954396727.db2.gz LPXAIMRPTRKTNF-KOLCDFICSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(I)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC001589399008 954396740 /nfs/dbraw/zinc/39/67/40/954396740.db2.gz LPXAIMRPTRKTNF-KOLCDFICSA-N 0 1 393.652 3.487 20 0 GGADMN Cc1ccc(CN(C(=O)C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662224461 954396729 /nfs/dbraw/zinc/39/67/29/954396729.db2.gz RZBLNEQCRPNWHX-NRFANRHFSA-N 0 1 378.472 3.170 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402086 954438837 /nfs/dbraw/zinc/43/88/37/954438837.db2.gz WYKJTEHIMJLHRQ-KKSFZXQISA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402086 954438843 /nfs/dbraw/zinc/43/88/43/954438843.db2.gz WYKJTEHIMJLHRQ-KKSFZXQISA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccc(C(=O)[O-])s3)C2)O1 ZINC001589402086 954438847 /nfs/dbraw/zinc/43/88/47/954438847.db2.gz WYKJTEHIMJLHRQ-KKSFZXQISA-N 0 1 386.517 3.312 20 0 GGADMN O=C([O-])[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000663102010 954487685 /nfs/dbraw/zinc/48/76/85/954487685.db2.gz WGALWLHZIGODEO-NZQKXSOJSA-N 0 1 384.520 3.392 20 0 GGADMN C[N@@H+](Cc1ccc2nc(NC(=O)NCC3(C(=O)[O-])CCC3)sc2c1)C1CC1 ZINC001593761077 954493389 /nfs/dbraw/zinc/49/33/89/954493389.db2.gz PYVSDAQZWJMDTM-UHFFFAOYSA-N 0 1 388.493 3.267 20 0 GGADMN 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CC[C@H](C(=O)[O-])[N@@H+](C)CCOc1c(Br)cccc1Br ZINC001589441250 954721020 /nfs/dbraw/zinc/72/10/20/954721020.db2.gz LOCJTVZQIZXZSD-LLVKDONJSA-N 0 1 395.091 3.385 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCCC[C@@H]([C@@H]4CCOC4)C3)o2)C1 ZINC001594914340 954727056 /nfs/dbraw/zinc/72/70/56/954727056.db2.gz FYFHVAVMNSGCJT-KZNAEPCWSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594915683 954747053 /nfs/dbraw/zinc/74/70/53/954747053.db2.gz KIUXUMOMLGOSCM-HZPDHXFCSA-N 0 1 389.521 3.492 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+][C@@H](Cn3ccnc3)c3ccccc3)o2)C1 ZINC001594915698 954749019 /nfs/dbraw/zinc/74/90/19/954749019.db2.gz KQXDAMYULXIRCD-ICSRJNTNSA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(OCC4CC4)nc3)o2)C1 ZINC001594917033 954764723 /nfs/dbraw/zinc/76/47/23/954764723.db2.gz QUJBYSSQROZVAX-QGZVFWFLSA-N 0 1 385.464 3.054 20 0 GGADMN 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ZINC001594969693 955095125 /nfs/dbraw/zinc/09/51/25/955095125.db2.gz KIBQWTDIHRNAFE-CNZFZVQHSA-N 0 1 380.400 3.231 20 0 GGADMN CN(CCCC(=O)[O-])C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000714224066 955102225 /nfs/dbraw/zinc/10/22/25/955102225.db2.gz OZLRULXYWVQKBZ-UHFFFAOYSA-N 0 1 375.513 3.328 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000717602349 955142642 /nfs/dbraw/zinc/14/26/42/955142642.db2.gz CETSEAFXJJFNPW-UHFFFAOYSA-N 0 1 375.513 3.185 20 0 GGADMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001593841329 955367894 /nfs/dbraw/zinc/36/78/94/955367894.db2.gz VRAAVWDZBWQVAC-UHFFFAOYSA-N 0 1 378.252 3.230 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001589022319 955482114 /nfs/dbraw/zinc/48/21/14/955482114.db2.gz NZBYIRBSQOIRQQ-XLIONFOSSA-N 0 1 386.467 3.206 20 0 GGADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000836719720 955559796 /nfs/dbraw/zinc/55/97/96/955559796.db2.gz 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20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])cc(=O)oc2c1 ZINC000844242397 955654581 /nfs/dbraw/zinc/65/45/81/955654581.db2.gz UKVHSKWZIHELQZ-SGTLLEGYSA-N 0 1 388.420 3.047 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])cc(=O)oc2c1 ZINC000844242398 955654650 /nfs/dbraw/zinc/65/46/50/955654650.db2.gz UKVHSKWZIHELQZ-XIKOKIGWSA-N 0 1 388.420 3.047 20 0 GGADMN COC(=O)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c(Br)c1 ZINC001593879997 955699446 /nfs/dbraw/zinc/69/94/46/955699446.db2.gz SJQZRDAPDMYTSB-HNNXBMFYSA-N 0 1 396.212 3.290 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000846272010 955702942 /nfs/dbraw/zinc/70/29/42/955702942.db2.gz SLXJNOKIAQHLIJ-UHFFFAOYSA-N 0 1 379.888 3.125 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000846280534 955705620 /nfs/dbraw/zinc/70/56/20/955705620.db2.gz FOCDETYAUPIOBX-KGLIPLIRSA-N 0 1 375.387 3.164 20 0 GGADMN 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C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923528392 957125902 /nfs/dbraw/zinc/12/59/02/957125902.db2.gz IUWWGSQDBYQIIR-XSRQCEPYSA-N 0 1 380.488 3.448 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001121816437 957211467 /nfs/dbraw/zinc/21/14/67/957211467.db2.gz CCFMMZKFPXEOMR-HZVDNRATSA-N 0 1 385.508 3.252 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])CCC1 ZINC001121819021 957212389 /nfs/dbraw/zinc/21/23/89/957212389.db2.gz XDCJJWFQDUHMRE-IBGZPJMESA-N 0 1 387.524 3.470 20 0 GGADMN C[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC001121892864 957223172 /nfs/dbraw/zinc/22/31/72/957223172.db2.gz RDJQSWGTTWWBDW-GQWLDOHISA-N 0 1 393.487 3.046 20 0 GGADMN Cc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(N2CCCC2)[nH+]1 ZINC001121918835 957234030 /nfs/dbraw/zinc/23/40/30/957234030.db2.gz QCLNQSNXIARSCW-OALUTQOASA-N 0 1 394.475 3.103 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cs1 ZINC001329021356 957686688 /nfs/dbraw/zinc/68/66/88/957686688.db2.gz YRJSAKWTSYEDEY-SUMWQHHRSA-N 0 1 399.516 3.050 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@@H+](C)CCC(=O)[O-])cc1Br ZINC001594025715 957717744 /nfs/dbraw/zinc/71/77/44/957717744.db2.gz XIAHFNIEXZWMCL-SNVBAGLBSA-N 0 1 378.238 3.176 20 0 GGADMN Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3C(=O)[O-])CC2)cc1 ZINC001330228489 957719643 /nfs/dbraw/zinc/71/96/43/957719643.db2.gz RZNZVLQBRQDCRC-UHFFFAOYSA-N 0 1 381.476 3.111 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001574769195 957748521 /nfs/dbraw/zinc/74/85/21/957748521.db2.gz LCQNCPCPZBJXGU-MXEMCNAFSA-N 0 1 396.462 3.021 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC001332338446 957755421 /nfs/dbraw/zinc/75/54/21/957755421.db2.gz DNQCGAHYVSBLFI-SUMWQHHRSA-N 0 1 399.516 3.193 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cs1 ZINC001332338443 957755464 /nfs/dbraw/zinc/75/54/64/957755464.db2.gz DNQCGAHYVSBLFI-CXAGYDPISA-N 0 1 399.516 3.193 20 0 GGADMN O=C([O-])c1c[nH]nc1NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001574787168 957790778 /nfs/dbraw/zinc/79/07/78/957790778.db2.gz CPHAJQNQVWEVOX-SFHVURJKSA-N 0 1 396.422 3.087 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000390553866 972293257 /nfs/dbraw/zinc/29/32/57/972293257.db2.gz PSJZPACDHGTPBJ-LBPRGKRZSA-N 0 1 377.391 3.305 20 0 GGADMN C[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[N@H+](C)Cc1ccccc1 ZINC001603192343 972294214 /nfs/dbraw/zinc/29/42/14/972294214.db2.gz IIWJIKDTHKFHKU-IEBWSBKVSA-N 0 1 385.508 3.191 20 0 GGADMN C[C@H](CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[N@@H+](C)Cc1ccccc1 ZINC001603192343 972294219 /nfs/dbraw/zinc/29/42/19/972294219.db2.gz IIWJIKDTHKFHKU-IEBWSBKVSA-N 0 1 385.508 3.191 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001335560136 957817238 /nfs/dbraw/zinc/81/72/38/957817238.db2.gz MLABWDLUVBDIKI-YADHBBJMSA-N 0 1 387.524 3.185 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001336749416 957832396 /nfs/dbraw/zinc/83/23/96/957832396.db2.gz VCQSTLZTGIPNIG-TYCQWZJGSA-N 0 1 399.535 3.313 20 0 GGADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001338661127 957849240 /nfs/dbraw/zinc/84/92/40/957849240.db2.gz WITOOAREFHZEHV-JUXOCIIHSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001339710599 957865960 /nfs/dbraw/zinc/86/59/60/957865960.db2.gz SCAZZYOJGGKDGH-OHQAAIJDSA-N 0 1 387.524 3.355 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001339710601 957866647 /nfs/dbraw/zinc/86/66/47/957866647.db2.gz SCAZZYOJGGKDGH-QGWWYQLQSA-N 0 1 387.524 3.355 20 0 GGADMN CCCN(C(=O)NC[C@H](CC)C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001339801292 957877779 /nfs/dbraw/zinc/87/77/79/957877779.db2.gz DOFJEZXXZPRPCP-RBUKOAKNSA-N 0 1 375.513 3.183 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001339811191 957880778 /nfs/dbraw/zinc/88/07/78/957880778.db2.gz GFGQKSMBXULEIM-WMQCIHAUSA-N 0 1 393.487 3.121 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC001339945302 957911025 /nfs/dbraw/zinc/91/10/25/957911025.db2.gz JJVUXTYATMENPO-LEWJYISDSA-N 0 1 393.487 3.217 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001341241896 957954180 /nfs/dbraw/zinc/95/41/80/957954180.db2.gz ORWDJIBIQMLHPB-DVMWJLJYSA-N 0 1 393.487 3.119 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001341243660 957956800 /nfs/dbraw/zinc/95/68/00/957956800.db2.gz IWDUDGKHLUHGSD-WOJBJXKFSA-N 0 1 387.524 3.185 20 0 GGADMN CC(C)(CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001341244414 957957452 /nfs/dbraw/zinc/95/74/52/957957452.db2.gz OZARLOXPWWRUHP-LJQANCHMSA-N 0 1 387.524 3.252 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001341313643 957964223 /nfs/dbraw/zinc/96/42/23/957964223.db2.gz MVSSPXYUNAWYSP-PLACYPQZSA-N 0 1 384.520 3.104 20 0 GGADMN O=C([O-])[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001341342799 957977118 /nfs/dbraw/zinc/97/71/18/957977118.db2.gz MOAFXQORZRFUSG-XUBOLADHSA-N 0 1 385.508 3.078 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001343117073 958027991 /nfs/dbraw/zinc/02/79/91/958027991.db2.gz LBAOVBBWLJRLNG-MJIXASBWSA-N 0 1 385.508 3.125 20 0 GGADMN O=C([O-])[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001343131587 958031880 /nfs/dbraw/zinc/03/18/80/958031880.db2.gz MOAFXQORZRFUSG-UMQXSMKFSA-N 0 1 385.508 3.078 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001343133105 958032359 /nfs/dbraw/zinc/03/23/59/958032359.db2.gz HUEBEZMMKKUENJ-UXHICEINSA-N 0 1 387.524 3.328 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC001343148929 958040127 /nfs/dbraw/zinc/04/01/27/958040127.db2.gz XLQZJTNKBJUGBB-RTWAWAEBSA-N 0 1 393.487 3.135 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])c(OC)cc1Cl ZINC001594063108 958115783 /nfs/dbraw/zinc/11/57/83/958115783.db2.gz WDNOJHQRBWNRFD-BXUZGUMPSA-N 0 1 384.860 3.013 20 0 GGADMN O=C([O-])C[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001353139272 958147122 /nfs/dbraw/zinc/14/71/22/958147122.db2.gz RHDKGCCDWCQMOI-CGXNFDGLSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001357173236 958188574 /nfs/dbraw/zinc/18/85/74/958188574.db2.gz OASGJBNLUZTJOZ-UIAACRFSSA-N 0 1 381.476 3.119 20 0 GGADMN CC[C@@H](CNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C(=O)[O-] ZINC001357175586 958192411 /nfs/dbraw/zinc/19/24/11/958192411.db2.gz VKTYMOGDZJPICJ-INIZCTEOSA-N 0 1 393.487 3.194 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001521145188 958211755 /nfs/dbraw/zinc/21/17/55/958211755.db2.gz OTHSOQWUPYKWFC-ACZWYYKOSA-N 0 1 387.524 3.357 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001521240230 958232016 /nfs/dbraw/zinc/23/20/16/958232016.db2.gz CFMHAKLAWMNCRP-WOJBJXKFSA-N 0 1 387.524 3.453 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC001523010205 958237089 /nfs/dbraw/zinc/23/70/89/958237089.db2.gz NWJFHPMAICVAQZ-YLJYHZDGSA-N 0 1 378.900 3.408 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC001523010205 958237100 /nfs/dbraw/zinc/23/71/00/958237100.db2.gz NWJFHPMAICVAQZ-YLJYHZDGSA-N 0 1 378.900 3.408 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC001594080651 958264758 /nfs/dbraw/zinc/26/47/58/958264758.db2.gz RTHNNGZDJPDKIX-QGZVFWFLSA-N 0 1 392.496 3.100 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001594081242 958268609 /nfs/dbraw/zinc/26/86/09/958268609.db2.gz YSRQWNCKSHHPGA-IAGOWNOFSA-N 0 1 392.496 3.100 20 0 GGADMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001594081243 958269691 /nfs/dbraw/zinc/26/96/91/958269691.db2.gz YSRQWNCKSHHPGA-SJORKVTESA-N 0 1 392.496 3.100 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594082556 958277278 /nfs/dbraw/zinc/27/72/78/958277278.db2.gz JDDPFXPOSWHUNR-BPQIPLTHSA-N 0 1 382.460 3.131 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001594338261 958284790 /nfs/dbraw/zinc/28/47/90/958284790.db2.gz JLYUENDZRBRTMD-GOSISDBHSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001594338261 958284804 /nfs/dbraw/zinc/28/48/04/958284804.db2.gz JLYUENDZRBRTMD-GOSISDBHSA-N 0 1 398.507 3.313 20 0 GGADMN COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2c(C(=O)[O-])cnn2C)cc1OC ZINC001594088435 958335338 /nfs/dbraw/zinc/33/53/38/958335338.db2.gz KOCZFCFBLQEYCK-INIZCTEOSA-N 0 1 387.480 3.123 20 0 GGADMN COc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1C(C)(C)C ZINC001594093058 958372038 /nfs/dbraw/zinc/37/20/38/958372038.db2.gz SBZMNEJCTSJDTR-DLBZAZTESA-N 0 1 385.508 3.417 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)[O-])CC3)[C@@H](c3ccco3)C2)cc1 ZINC001594353096 958377625 /nfs/dbraw/zinc/37/76/25/958377625.db2.gz CTYQZNJGNGWQMW-LJQANCHMSA-N 0 1 395.459 3.062 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)s1 ZINC001594360316 958441750 /nfs/dbraw/zinc/44/17/50/958441750.db2.gz UAJBKGXNJGYONX-JXFKEZNVSA-N 0 1 376.522 3.148 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594363379 958474038 /nfs/dbraw/zinc/47/40/38/958474038.db2.gz TYVJWGWVYWPZPG-FGTMMUONSA-N 0 1 389.879 3.188 20 0 GGADMN Cc1ccc(OC(F)F)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001594374840 958579174 /nfs/dbraw/zinc/57/91/74/958579174.db2.gz RYSHJVRVTRANFC-ZFWWWQNUSA-N 0 1 379.407 3.020 20 0 GGADMN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2CCCC(=O)[O-])c1 ZINC001594124719 958627541 /nfs/dbraw/zinc/62/75/41/958627541.db2.gz FACNCHYPQZZGMA-QGZVFWFLSA-N 0 1 378.469 3.154 20 0 GGADMN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2CCCC(=O)[O-])c1 ZINC001594124719 958627553 /nfs/dbraw/zinc/62/75/53/958627553.db2.gz FACNCHYPQZZGMA-QGZVFWFLSA-N 0 1 378.469 3.154 20 0 GGADMN C[C@H](C(=O)[O-])N(C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC001573375426 958652000 /nfs/dbraw/zinc/65/20/00/958652000.db2.gz QFJAKFPRRYGZTE-UTKZUKDTSA-N 0 1 398.478 3.491 20 0 GGADMN C[C@@H](C(=O)[O-])N(C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC001573375425 958652126 /nfs/dbraw/zinc/65/21/26/958652126.db2.gz QFJAKFPRRYGZTE-LAUBAEHRSA-N 0 1 398.478 3.491 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)cc3C(=O)[O-])CC[C@H]21 ZINC000391761351 972367709 /nfs/dbraw/zinc/36/77/09/972367709.db2.gz IAACOJSNNORVPW-IAQYHMDHSA-N 0 1 396.285 3.095 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC001603234985 972368750 /nfs/dbraw/zinc/36/87/50/972368750.db2.gz ZVIUIGNNIOGUPL-CVEARBPZSA-N 0 1 392.496 3.389 20 0 GGADMN COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594140183 958730573 /nfs/dbraw/zinc/73/05/73/958730573.db2.gz COVLJOJLYXZYKY-LSTHTHJFSA-N 0 1 396.487 3.015 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001573449984 958866685 /nfs/dbraw/zinc/86/66/85/958866685.db2.gz VZQIQSLQXZXOLD-WZGPROSRSA-N 0 1 388.508 3.480 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(Br)c1 ZINC000391890575 972387281 /nfs/dbraw/zinc/38/72/81/972387281.db2.gz ATNISDJXPJDATP-CQSZACIVSA-N 0 1 396.203 3.427 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(Br)c1 ZINC000391890575 972387288 /nfs/dbraw/zinc/38/72/88/972387288.db2.gz ATNISDJXPJDATP-CQSZACIVSA-N 0 1 396.203 3.427 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001573489956 959009616 /nfs/dbraw/zinc/00/96/16/959009616.db2.gz SLISFZXETUPBDL-HKUYNNGSSA-N 0 1 386.517 3.321 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001573489956 959009631 /nfs/dbraw/zinc/00/96/31/959009631.db2.gz SLISFZXETUPBDL-HKUYNNGSSA-N 0 1 386.517 3.321 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001573489959 959009953 /nfs/dbraw/zinc/00/99/53/959009953.db2.gz SLISFZXETUPBDL-PKOBYXMFSA-N 0 1 386.517 3.321 20 0 GGADMN CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001573489959 959009974 /nfs/dbraw/zinc/00/99/74/959009974.db2.gz SLISFZXETUPBDL-PKOBYXMFSA-N 0 1 386.517 3.321 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCCC(=O)[O-] ZINC001588557978 959075700 /nfs/dbraw/zinc/07/57/00/959075700.db2.gz MLERGIUNVDFPLC-ZDUSSCGKSA-N 0 1 389.477 3.124 20 0 GGADMN CC(C)C[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001573509403 959081445 /nfs/dbraw/zinc/08/14/45/959081445.db2.gz GNAFYVLFZORIPR-KRWDZBQOSA-N 0 1 399.535 3.271 20 0 GGADMN O=C([O-])C1(CNC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001605757600 972421508 /nfs/dbraw/zinc/42/15/08/972421508.db2.gz LFRHSRZGEYRBHJ-HXUWFJFHSA-N 0 1 398.478 3.398 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594221381 959380590 /nfs/dbraw/zinc/38/05/90/959380590.db2.gz YVBDHVAFLVBHDT-QUCCMNQESA-N 0 1 397.519 3.287 20 0 GGADMN C[C@@H](CN(C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C(=O)[O-] ZINC001573588676 959384583 /nfs/dbraw/zinc/38/45/83/959384583.db2.gz SKHNFNMINZJQLW-NSHDSACASA-N 0 1 376.482 3.075 20 0 GGADMN C[C@]12CN(C(=O)Nc3ccccc3C(=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001594233006 959485513 /nfs/dbraw/zinc/48/55/13/959485513.db2.gz BNRNGVJTPMQFCQ-VGSWGCGISA-N 0 1 379.460 3.371 20 0 GGADMN C[C@]12CN(C(=O)Nc3cccc(CC(=O)[O-])c3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001594232994 959485974 /nfs/dbraw/zinc/48/59/74/959485974.db2.gz AGRJXWLJWIZVEQ-XXBNENTESA-N 0 1 393.487 3.300 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001594477131 959610457 /nfs/dbraw/zinc/61/04/57/959610457.db2.gz AIOTWYBHFTVPJI-WFASDCNBSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1c(Br)cncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594252872 959627751 /nfs/dbraw/zinc/62/77/51/959627751.db2.gz HYTHTCKWZZWULM-JKSUJKDBSA-N 0 1 375.266 3.453 20 0 GGADMN CC(C)(C)C[N@@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC(=O)[O-] ZINC001588656767 960413643 /nfs/dbraw/zinc/41/36/43/960413643.db2.gz AYLJILCPNWFTMM-UHFFFAOYSA-N 0 1 381.948 3.285 20 0 GGADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001588655934 960413851 /nfs/dbraw/zinc/41/38/51/960413851.db2.gz WLKLBZIYUVRSOE-INIZCTEOSA-N 0 1 398.544 3.225 20 0 GGADMN COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001574232168 960414223 /nfs/dbraw/zinc/41/42/23/960414223.db2.gz DENWTOZRIXIYPW-RHSMWYFYSA-N 0 1 386.448 3.203 20 0 GGADMN CC(C)(C)C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC(=O)[O-] ZINC001588657976 960418909 /nfs/dbraw/zinc/41/89/09/960418909.db2.gz GYOOSDQWEFNXKR-UHFFFAOYSA-N 0 1 376.526 3.128 20 0 GGADMN CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC001123380075 960462353 /nfs/dbraw/zinc/46/23/53/960462353.db2.gz KFKUERHLBGESFK-RTWAWAEBSA-N 0 1 382.504 3.321 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001588668119 960476185 /nfs/dbraw/zinc/47/61/85/960476185.db2.gz XEOQNQSBODOPTR-BTYIYWSLSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@]3(C)C(=O)[O-])o2)C1 ZINC001588668100 960476970 /nfs/dbraw/zinc/47/69/70/960476970.db2.gz WVLRDGJQLOIXFY-QVKFZJNVSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001588668105 960477162 /nfs/dbraw/zinc/47/71/62/960477162.db2.gz WYWNVMQBCVRRES-INIZCTEOSA-N 0 1 392.496 3.134 20 0 GGADMN O=C([O-])COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138927525 960494548 /nfs/dbraw/zinc/49/45/48/960494548.db2.gz OYRPOKUFQMJRCB-QHCPKHFHSA-N 0 1 380.488 3.248 20 0 GGADMN O=C([O-])COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138927525 960494560 /nfs/dbraw/zinc/49/45/60/960494560.db2.gz OYRPOKUFQMJRCB-QHCPKHFHSA-N 0 1 380.488 3.248 20 0 GGADMN O=C([O-])COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138927524 960496006 /nfs/dbraw/zinc/49/60/06/960496006.db2.gz OYRPOKUFQMJRCB-HSZRJFAPSA-N 0 1 380.488 3.248 20 0 GGADMN O=C([O-])COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138927524 960496014 /nfs/dbraw/zinc/49/60/14/960496014.db2.gz OYRPOKUFQMJRCB-HSZRJFAPSA-N 0 1 380.488 3.248 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573748109 960515144 /nfs/dbraw/zinc/51/51/44/960515144.db2.gz HRMTXLGFNKHERC-UZLBHIALSA-N 0 1 381.476 3.346 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@@H](CC(=O)[O-])C2)[C@@H](O)c2ccccc21 ZINC001588675746 960541331 /nfs/dbraw/zinc/54/13/31/960541331.db2.gz AGNQVXOQKYQAFI-FNHZYXHNSA-N 0 1 390.480 3.030 20 0 GGADMN O=C([O-])COc1ccccc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001231791085 960620656 /nfs/dbraw/zinc/62/06/56/960620656.db2.gz TUXZFUXMMNBUEI-UHFFFAOYSA-N 0 1 381.432 3.042 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2OCC(=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001231789114 960621016 /nfs/dbraw/zinc/62/10/16/960621016.db2.gz JVZYYTJWJQRCIH-RDJZCZTQSA-N 0 1 392.496 3.133 20 0 GGADMN O=C([O-])COc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001231792078 960623667 /nfs/dbraw/zinc/62/36/67/960623667.db2.gz JZRZRCVRNURIJL-UHFFFAOYSA-N 0 1 383.473 3.082 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(=O)[O-])CC[C@H]21 ZINC001238234893 960632451 /nfs/dbraw/zinc/63/24/51/960632451.db2.gz ZEMCNFIQOOPQIH-RHSMWYFYSA-N 0 1 378.444 3.355 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](CCC(=O)[O-])Cc1ccccc1O2 ZINC001588685545 960639716 /nfs/dbraw/zinc/63/97/16/960639716.db2.gz SKBOJPBSGFMHRK-UHFFFAOYSA-N 0 1 390.480 3.125 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000236953115 960811472 /nfs/dbraw/zinc/81/14/72/960811472.db2.gz FWMMWWHSOOSAQP-QFBILLFUSA-N 0 1 376.497 3.324 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000236953115 960811492 /nfs/dbraw/zinc/81/14/92/960811492.db2.gz FWMMWWHSOOSAQP-QFBILLFUSA-N 0 1 376.497 3.324 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[C@H](c2cnn(C)c2)C1 ZINC001262178321 960820878 /nfs/dbraw/zinc/82/08/78/960820878.db2.gz XMRYXGZLVZUUGR-BEVDRBHNSA-N 0 1 398.507 3.061 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)C1CCCCCC1 ZINC001262195192 960843124 /nfs/dbraw/zinc/84/31/24/960843124.db2.gz SBHDWWAHGUHSJL-VQTJNVASSA-N 0 1 387.524 3.224 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)C1CCCCCC1 ZINC001262195192 960843140 /nfs/dbraw/zinc/84/31/40/960843140.db2.gz SBHDWWAHGUHSJL-VQTJNVASSA-N 0 1 387.524 3.224 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)CC[C@H]1C(F)(F)F ZINC001588707387 960868609 /nfs/dbraw/zinc/86/86/09/960868609.db2.gz CYALAWREDGTONB-CHWSQXEVSA-N 0 1 394.434 3.409 20 0 GGADMN CCn1cc(Cl)cc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629719 960876017 /nfs/dbraw/zinc/87/60/17/960876017.db2.gz MBVNJDXMCPPGIP-HXUWFJFHSA-N 0 1 389.883 3.011 20 0 GGADMN Cn1ccc2ccc(C(=O)N[C@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC001263629527 960876493 /nfs/dbraw/zinc/87/64/93/960876493.db2.gz GCRCWSPHIGDPML-HSZRJFAPSA-N 0 1 391.471 3.028 20 0 GGADMN Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001574334245 960906146 /nfs/dbraw/zinc/90/61/46/960906146.db2.gz XYDCFFNRRGRPEK-HTAPYJJXSA-N 0 1 396.491 3.078 20 0 GGADMN Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC001574334248 960906193 /nfs/dbraw/zinc/90/61/93/960906193.db2.gz XYDCFFNRRGRPEK-VGSWGCGISA-N 0 1 396.491 3.078 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)C[C@H]1C(F)(F)F ZINC001588714879 960941530 /nfs/dbraw/zinc/94/15/30/960941530.db2.gz LHTZVRYIUJSRGI-QWHCGFSZSA-N 0 1 394.434 3.266 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC001573822451 960973902 /nfs/dbraw/zinc/97/39/02/960973902.db2.gz LCZLLMRIAJDCLB-SUMWQHHRSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1 ZINC001588717565 960988590 /nfs/dbraw/zinc/98/85/90/960988590.db2.gz CNGBMOQVUHLIOO-UHFFFAOYSA-N 0 1 392.496 3.167 20 0 GGADMN CC(C)(C)OC(=O)NCc1cccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1 ZINC001588717893 960996848 /nfs/dbraw/zinc/99/68/48/960996848.db2.gz KNONGVBVNINDQV-UHFFFAOYSA-N 0 1 392.496 3.167 20 0 GGADMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001573829867 961006613 /nfs/dbraw/zinc/00/66/13/961006613.db2.gz IWMWAFHZTGKJQG-LBPRGKRZSA-N 0 1 384.274 3.095 20 0 GGADMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001573829866 961006961 /nfs/dbraw/zinc/00/69/61/961006961.db2.gz IWMWAFHZTGKJQG-GFCCVEGCSA-N 0 1 384.274 3.095 20 0 GGADMN CCC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])C1 ZINC001573840492 961064315 /nfs/dbraw/zinc/06/43/15/961064315.db2.gz CWAYZOJGAUHJFG-ZDUSSCGKSA-N 0 1 396.509 3.382 20 0 GGADMN CCC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])C1 ZINC001573840492 961064337 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C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000263334587 967873330 /nfs/dbraw/zinc/87/33/30/967873330.db2.gz MERVMIVSOGUQFS-HIFRSBDPSA-N 0 1 390.867 3.259 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000263434493 967891998 /nfs/dbraw/zinc/89/19/98/967891998.db2.gz ZNVMOCZIWLXWER-KRWDZBQOSA-N 0 1 381.476 3.048 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263494262 967897644 /nfs/dbraw/zinc/89/76/44/967897644.db2.gz SFVOUXXDBMMWBJ-DLBZAZTESA-N 0 1 381.476 3.189 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000263559916 967900115 /nfs/dbraw/zinc/90/01/15/967900115.db2.gz BGEWNUNBUXSFBK-MRXNPFEDSA-N 0 1 387.505 3.498 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000263559916 967900119 /nfs/dbraw/zinc/90/01/19/967900119.db2.gz BGEWNUNBUXSFBK-MRXNPFEDSA-N 0 1 387.505 3.498 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000388560062 968155435 /nfs/dbraw/zinc/15/54/35/968155435.db2.gz ZIFODUUCYTYZCE-RBUKOAKNSA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000404430163 968324588 /nfs/dbraw/zinc/32/45/88/968324588.db2.gz ODOVDJMXUIGAAJ-DWRORGKVSA-N 0 1 375.513 3.036 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000404430167 968325985 /nfs/dbraw/zinc/32/59/85/968325985.db2.gz ODOVDJMXUIGAAJ-ZMMAXQRCSA-N 0 1 375.513 3.036 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000424260467 968353889 /nfs/dbraw/zinc/35/38/89/968353889.db2.gz OAHWBNBAWLONEM-SFHVURJKSA-N 0 1 376.497 3.024 20 0 GGADMN C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H]1C(=O)[O-] ZINC000424272682 968356934 /nfs/dbraw/zinc/35/69/34/968356934.db2.gz UPXPJXCTABTKJN-HTAPYJJXSA-N 0 1 396.487 3.067 20 0 GGADMN C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)[C@H]1C(=O)[O-] ZINC000424272682 968356943 /nfs/dbraw/zinc/35/69/43/968356943.db2.gz UPXPJXCTABTKJN-HTAPYJJXSA-N 0 1 396.487 3.067 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000514309294 968388906 /nfs/dbraw/zinc/38/89/06/968388906.db2.gz PUESOOPDUNVBAW-HUUCEWRRSA-N 0 1 379.526 3.384 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000529222389 968394645 /nfs/dbraw/zinc/39/46/45/968394645.db2.gz MDPLQJVTDIJURL-OAQYLSRUSA-N 0 1 395.503 3.437 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000532880888 968401016 /nfs/dbraw/zinc/40/10/16/968401016.db2.gz CYHASLCYKONDFV-ZHRRBRCNSA-N 0 1 398.528 3.409 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000532881691 968401031 /nfs/dbraw/zinc/40/10/31/968401031.db2.gz PQONEGJILSHDPN-HXUWFJFHSA-N 0 1 396.487 3.069 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000562616443 968412419 /nfs/dbraw/zinc/41/24/19/968412419.db2.gz VGSQEWRENAMRLX-SJORKVTESA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000562616443 968412427 /nfs/dbraw/zinc/41/24/27/968412427.db2.gz VGSQEWRENAMRLX-SJORKVTESA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000562616441 968413209 /nfs/dbraw/zinc/41/32/09/968413209.db2.gz VGSQEWRENAMRLX-IAGOWNOFSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000562616441 968413213 /nfs/dbraw/zinc/41/32/13/968413213.db2.gz VGSQEWRENAMRLX-IAGOWNOFSA-N 0 1 394.471 3.431 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000564084318 968418372 /nfs/dbraw/zinc/41/83/72/968418372.db2.gz MMTDOWMVVPSITL-LRDDRELGSA-N 0 1 376.478 3.370 20 0 GGADMN 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Cc1ccc([C@@H](CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)[NH+](C)C)cc1 ZINC001605256981 973032835 /nfs/dbraw/zinc/03/28/35/973032835.db2.gz QCABCGSKVBIKSO-UYAOXDASSA-N 0 1 385.508 3.282 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)s1 ZINC001605273150 973056747 /nfs/dbraw/zinc/05/67/47/973056747.db2.gz KCXMAHCERVHXMR-DRDHIDPGSA-N 0 1 388.489 3.341 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC001605994366 973059977 /nfs/dbraw/zinc/05/99/77/973059977.db2.gz PUKPBUZLIBGGMC-VOZVASTJSA-N 0 1 377.325 3.055 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3c(F)cccc3-n3cccn3)o2)C1 ZINC001605997286 973065655 /nfs/dbraw/zinc/06/56/55/973065655.db2.gz BNYCKVSYSLISPU-OAHLLOKOSA-N 0 1 398.438 3.195 20 0 GGADMN Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)cc1 ZINC001605274082 973066564 /nfs/dbraw/zinc/06/65/64/973066564.db2.gz ZUBUXPGIRRLYQS-UHFFFAOYSA-N 0 1 381.476 3.362 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4c3OCCCO4)o2)C1 ZINC001605997505 973068878 /nfs/dbraw/zinc/06/88/78/973068878.db2.gz DZOLUIZJXVBWNN-MRXNPFEDSA-N 0 1 386.448 3.032 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)C1 ZINC001605997777 973073866 /nfs/dbraw/zinc/07/38/66/973073866.db2.gz GORRSZXXHAHLHA-AEFFLSMTSA-N 0 1 388.464 3.355 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)o2)C1 ZINC001605997777 973073879 /nfs/dbraw/zinc/07/38/79/973073879.db2.gz GORRSZXXHAHLHA-AEFFLSMTSA-N 0 1 388.464 3.355 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)o2)C1 ZINC001605998599 973078785 /nfs/dbraw/zinc/07/87/85/973078785.db2.gz NOFHZJHCBIMVBT-KZNAEPCWSA-N 0 1 376.497 3.219 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001603409251 973081804 /nfs/dbraw/zinc/08/18/04/973081804.db2.gz HXNKCDFGXFMYFX-IAGOWNOFSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001603409251 973081814 /nfs/dbraw/zinc/08/18/14/973081814.db2.gz HXNKCDFGXFMYFX-IAGOWNOFSA-N 0 1 377.529 3.181 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)o2)C1 ZINC001605999535 973087016 /nfs/dbraw/zinc/08/70/16/973087016.db2.gz VCTXPEHXSRPYAV-ZHALLVOQSA-N 0 1 376.497 3.362 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)o2)C1 ZINC001605999713 973090684 /nfs/dbraw/zinc/09/06/84/973090684.db2.gz YCLWFMUZNMEAOD-YJBOKZPZSA-N 0 1 392.883 3.447 20 0 GGADMN COC(=O)c1ccc(Br)c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001604382351 973099403 /nfs/dbraw/zinc/09/94/03/973099403.db2.gz HVCFFMYOHPVKDQ-GFCCVEGCSA-N 0 1 384.270 3.313 20 0 GGADMN Cc1cccc([C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C(=O)[O-])c1 ZINC001605327638 973169680 /nfs/dbraw/zinc/16/96/80/973169680.db2.gz FBGAHRGCIWMMQQ-SFTDATJTSA-N 0 1 380.488 3.192 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC001606056381 973169866 /nfs/dbraw/zinc/16/98/66/973169866.db2.gz ZCWUXLJCPIPSSN-QGZVFWFLSA-N 0 1 390.233 3.362 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC001606056381 973169872 /nfs/dbraw/zinc/16/98/72/973169872.db2.gz ZCWUXLJCPIPSSN-QGZVFWFLSA-N 0 1 390.233 3.362 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC001606056380 973170317 /nfs/dbraw/zinc/17/03/17/973170317.db2.gz ZCWUXLJCPIPSSN-KRWDZBQOSA-N 0 1 390.233 3.362 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC001606056380 973170323 /nfs/dbraw/zinc/17/03/23/973170323.db2.gz ZCWUXLJCPIPSSN-KRWDZBQOSA-N 0 1 390.233 3.362 20 0 GGADMN C[C@@H]1CC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C[C@@H]1C(=O)[O-] ZINC001603430018 973171672 /nfs/dbraw/zinc/17/16/72/973171672.db2.gz JPQHXFZZGGGMQG-RSAASHCRSA-N 0 1 390.705 3.353 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CC[N@H+]4C[C@@H](C(=O)[O-])CC[C@@H]4C)nc(N)c32)C1 ZINC001603433606 973194518 /nfs/dbraw/zinc/19/45/18/973194518.db2.gz HVRFNUMJIATAPI-AGIUHOORSA-N 0 1 388.537 3.126 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2C(=O)[O-])C1 ZINC001603434825 973201177 /nfs/dbraw/zinc/20/11/77/973201177.db2.gz UKTXGYPDYCCOSM-NSHDSACASA-N 0 1 382.445 3.404 20 0 GGADMN C[C@H]1CN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC[N@H+]1Cc1ccccc1 ZINC001603460460 973287795 /nfs/dbraw/zinc/28/77/95/973287795.db2.gz GNRBKHMZZSUCHW-SFHVURJKSA-N 0 1 397.519 3.287 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001605374687 973326016 /nfs/dbraw/zinc/32/60/16/973326016.db2.gz FASFOMUFSIHDQP-UHFFFAOYSA-N 0 1 383.448 3.483 20 0 GGADMN Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)C2)n1 ZINC001605380579 973337892 /nfs/dbraw/zinc/33/78/92/973337892.db2.gz KXSGJYDWBUCOAB-JKSUJKDBSA-N 0 1 389.521 3.410 20 0 GGADMN C[C@H]1Cc2c(sc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2C(=O)[O-])[C@H](C)O1 ZINC001603475771 973366586 /nfs/dbraw/zinc/36/65/86/973366586.db2.gz QCTFAHZUBFCVHO-QWRGUYRKSA-N 0 1 398.444 3.302 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CC2)cs1 ZINC001605403781 973399734 /nfs/dbraw/zinc/39/97/34/973399734.db2.gz QMQNSUBNJBQIIP-INIZCTEOSA-N 0 1 381.542 3.059 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1nnc(-c2cccc3ccccc32)o1)C1CCOCC1 ZINC001606190771 973442298 /nfs/dbraw/zinc/44/22/98/973442298.db2.gz WTHQHPBLCUPQFS-UHFFFAOYSA-N 0 1 381.432 3.346 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001605428979 973466804 /nfs/dbraw/zinc/46/68/04/973466804.db2.gz BTQTVDFDXSAKLU-YVEFUNNKSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001605429050 973467952 /nfs/dbraw/zinc/46/79/52/973467952.db2.gz IXSIYIHYLSTRHP-RDTXWAMCSA-N 0 1 384.480 3.145 20 0 GGADMN Cc1sc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1Br ZINC001605460990 973555915 /nfs/dbraw/zinc/55/59/15/973555915.db2.gz IRHPUSNPUXLERA-NWDGAFQWSA-N 0 1 398.326 3.243 20 0 GGADMN CCC(CC)(C(=O)[O-])C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001603523628 973558796 /nfs/dbraw/zinc/55/87/96/973558796.db2.gz KRSCMMQRGZGMIZ-UHFFFAOYSA-N 0 1 399.491 3.313 20 0 GGADMN CC[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001603566758 973692242 /nfs/dbraw/zinc/69/22/42/973692242.db2.gz BTRCJJMGHSVSBG-XZDHIHRUSA-N 0 1 394.515 3.303 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001606318669 973736557 /nfs/dbraw/zinc/73/65/57/973736557.db2.gz ZEQSCWKHQSGIFO-UHFFFAOYSA-N 0 1 395.503 3.486 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2ccccc2C(=O)[O-])c(OC)c1 ZINC001604680003 973871370 /nfs/dbraw/zinc/87/13/70/973871370.db2.gz GTRZRLSFPOOVLL-UHFFFAOYSA-N 0 1 380.238 3.454 20 0 GGADMN COc1cc(Br)c(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)cc1O ZINC001604680362 973873492 /nfs/dbraw/zinc/87/34/92/973873492.db2.gz LVIKWNNEMHDPMF-OAHLLOKOSA-N 0 1 384.201 3.218 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001603609623 973875307 /nfs/dbraw/zinc/87/53/07/973875307.db2.gz LDKMGEOEBADCDF-GOSISDBHSA-N 0 1 384.423 3.147 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001603609623 973875310 /nfs/dbraw/zinc/87/53/10/973875310.db2.gz LDKMGEOEBADCDF-GOSISDBHSA-N 0 1 384.423 3.147 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCCCC(=O)[O-] ZINC000414619053 973942620 /nfs/dbraw/zinc/94/26/20/973942620.db2.gz BCLKGIAPZIODIM-HXUWFJFHSA-N 0 1 389.540 3.226 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCCCC(=O)[O-] ZINC000414619042 973942685 /nfs/dbraw/zinc/94/26/85/973942685.db2.gz BCLKGIAPZIODIM-FQEVSTJZSA-N 0 1 389.540 3.226 20 0 GGADMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000414644476 973946823 /nfs/dbraw/zinc/94/68/23/973946823.db2.gz ZOHVAIMFSCQQLY-HNNXBMFYSA-N 0 1 388.489 3.118 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1c1cnc(C(=O)[O-])cn1 ZINC000416416246 973950656 /nfs/dbraw/zinc/95/06/56/973950656.db2.gz KMYVFIAJNVJURP-LJQANCHMSA-N 0 1 382.508 3.344 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001606504516 973997778 /nfs/dbraw/zinc/99/77/78/973997778.db2.gz ZJMLUKAWEHBUAU-IBGZPJMESA-N 0 1 392.377 3.322 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001606504516 973997788 /nfs/dbraw/zinc/99/77/88/973997788.db2.gz ZJMLUKAWEHBUAU-IBGZPJMESA-N 0 1 392.377 3.322 20 0 GGADMN COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC001604780510 974010825 /nfs/dbraw/zinc/01/08/25/974010825.db2.gz RQPTVIPNARYCIS-GOSISDBHSA-N 0 1 384.476 3.406 20 0 GGADMN COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC001604780511 974011046 /nfs/dbraw/zinc/01/10/46/974011046.db2.gz RQPTVIPNARYCIS-SFHVURJKSA-N 0 1 384.476 3.406 20 0 GGADMN COc1ccc(C[N@H+](C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1F ZINC001604786105 974018474 /nfs/dbraw/zinc/01/84/74/974018474.db2.gz TTYJASRSGAPDGC-UHFFFAOYSA-N 0 1 376.428 3.360 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1F ZINC001604786105 974018484 /nfs/dbraw/zinc/01/84/84/974018484.db2.gz TTYJASRSGAPDGC-UHFFFAOYSA-N 0 1 376.428 3.360 20 0 GGADMN O=C([O-])c1ccccc1C[NH2+]Cc1cccc(F)c1I ZINC001606523147 974025003 /nfs/dbraw/zinc/02/50/03/974025003.db2.gz YQORIMNWIHCYAB-UHFFFAOYSA-N 0 1 385.176 3.418 20 0 GGADMN CCC(CC)(CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)C(=O)[O-] ZINC000424393098 974026804 /nfs/dbraw/zinc/02/68/04/974026804.db2.gz KYOUQAHMFMBYKQ-UHFFFAOYSA-N 0 1 376.432 3.010 20 0 GGADMN O=C([O-])c1ccccc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001606523334 974029352 /nfs/dbraw/zinc/02/93/52/974029352.db2.gz KKWVFEZHUZWBPJ-UXHICEINSA-N 0 1 393.487 3.048 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001606531682 974049111 /nfs/dbraw/zinc/04/91/11/974049111.db2.gz NNQRLISOCWZRHL-RTBURBONSA-N 0 1 394.475 3.298 20 0 GGADMN CCC[N@H+]1Cc2cccc(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)c2C1 ZINC001603674381 974056499 /nfs/dbraw/zinc/05/64/99/974056499.db2.gz IIUDJVRYHYVJLG-FQEVSTJZSA-N 0 1 392.459 3.070 20 0 GGADMN COc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCC[C@@H](C(=O)[O-])C3)o1)CC2 ZINC001604843375 974082527 /nfs/dbraw/zinc/08/25/27/974082527.db2.gz VNXPTNWMPMTZGW-GOSISDBHSA-N 0 1 384.476 3.190 20 0 GGADMN CCN(C(=O)C[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC001603714135 974121984 /nfs/dbraw/zinc/12/19/84/974121984.db2.gz WQLUPBAWMHZWMF-LJQANCHMSA-N 0 1 375.494 3.226 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455920102 974169201 /nfs/dbraw/zinc/16/92/01/974169201.db2.gz FDDOGPUPGJJGFE-IOMROCGXSA-N 0 1 380.488 3.099 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603736418 974174109 /nfs/dbraw/zinc/17/41/09/974174109.db2.gz FMGJQLOKAYZNMC-KRWDZBQOSA-N 0 1 382.464 3.156 20 0 GGADMN CC[N@@H+](CCOc1ccccc1C(=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001603739753 974187845 /nfs/dbraw/zinc/18/78/45/974187845.db2.gz VZFXTJCPQDBXFU-INIZCTEOSA-N 0 1 392.496 3.485 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603760309 974203457 /nfs/dbraw/zinc/20/34/57/974203457.db2.gz LKTUMOIZQXYOKJ-LPADLIQXSA-N 0 1 398.459 3.210 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@H]1C ZINC001603760570 974208001 /nfs/dbraw/zinc/20/80/01/974208001.db2.gz ZMWBNVVEOLBZIJ-YPMHNXCESA-N 0 1 398.301 3.484 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000514732044 974291497 /nfs/dbraw/zinc/29/14/97/974291497.db2.gz ZJUJOZLLKDVCEH-UYAOXDASSA-N 0 1 393.405 3.337 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000514732043 974291555 /nfs/dbraw/zinc/29/15/55/974291555.db2.gz ZJUJOZLLKDVCEH-QUCCMNQESA-N 0 1 393.405 3.337 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000515356918 974298535 /nfs/dbraw/zinc/29/85/35/974298535.db2.gz MNLSNCAHKVBVLT-UNMCSNQZSA-N 0 1 383.444 3.299 20 0 GGADMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(CN2CCOCC2)cc1)C(=O)[O-] ZINC000515659914 974301496 /nfs/dbraw/zinc/30/14/96/974301496.db2.gz DIMIGSZGLWQQRD-LJQANCHMSA-N 0 1 382.504 3.242 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000517033907 974314143 /nfs/dbraw/zinc/31/41/43/974314143.db2.gz OSZMQQYQYXXGIN-CQSZACIVSA-N 0 1 396.509 3.057 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000517033907 974314151 /nfs/dbraw/zinc/31/41/51/974314151.db2.gz OSZMQQYQYXXGIN-CQSZACIVSA-N 0 1 396.509 3.057 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825688 974321160 /nfs/dbraw/zinc/32/11/60/974321160.db2.gz JPTOQQBMIQBHMT-CGTJXYLNSA-N 0 1 376.497 3.360 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000518532791 974323105 /nfs/dbraw/zinc/32/31/05/974323105.db2.gz CCLDSUQLRMSKQG-ZCNNSNEGSA-N 0 1 382.435 3.121 20 0 GGADMN 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CC[C@H](NC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)C(=O)[O-] ZINC001603951559 974429315 /nfs/dbraw/zinc/42/93/15/974429315.db2.gz GAGYGZPFSKUVIS-MOPGFXCFSA-N 0 1 391.512 3.451 20 0 GGADMN CCc1onc(C)c1C[N@H+]1CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1 ZINC001603997986 974501494 /nfs/dbraw/zinc/50/14/94/974501494.db2.gz OHIIAXCJIVBNIR-OAHLLOKOSA-N 0 1 395.500 3.079 20 0 GGADMN C[N@@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C(=O)[O-] ZINC000563282135 974526074 /nfs/dbraw/zinc/52/60/74/974526074.db2.gz FDQUBLSBVIDDRH-SFHVURJKSA-N 0 1 393.430 3.227 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000563284995 974528273 /nfs/dbraw/zinc/52/82/73/974528273.db2.gz VRXFBZOHAXSDAF-KRWDZBQOSA-N 0 1 399.443 3.049 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(CN4CCCCC4=O)CC3)co2)cc1 ZINC000563892578 974541717 /nfs/dbraw/zinc/54/17/17/974541717.db2.gz JNHFTOLVHUHPKS-UHFFFAOYSA-N 0 1 397.475 3.264 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](CCCOc3ccc4ccccc4c3)C2)nn1 ZINC000564662258 974551686 /nfs/dbraw/zinc/55/16/86/974551686.db2.gz MSEVJMIQCXMTBF-SFHVURJKSA-N 0 1 380.448 3.236 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CCN1CCc3ccccc31)CC2 ZINC000564738665 974552712 /nfs/dbraw/zinc/55/27/12/974552712.db2.gz KRPWHXPLYMOZQQ-FQEVSTJZSA-N 0 1 396.487 3.140 20 0 GGADMN Cc1ccccc1Cc1noc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000565110644 974572952 /nfs/dbraw/zinc/57/29/52/974572952.db2.gz SHJLCJUGQJUJOR-JOCHJYFZSA-N 0 1 377.444 3.197 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC000565111992 974574732 /nfs/dbraw/zinc/57/47/32/974574732.db2.gz OUJDSQSTOLTWQN-RGMHLJPOSA-N 0 1 383.488 3.257 20 0 GGADMN Cc1cc2ncn(C[C@H](O)C[N@@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])c2cc1C ZINC000565428170 974581727 /nfs/dbraw/zinc/58/17/27/974581727.db2.gz VVQZFXUOWXQLLC-UYAOXDASSA-N 0 1 395.503 3.237 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccc(C(C)=O)c1)CC2 ZINC000565721734 974588163 /nfs/dbraw/zinc/58/81/63/974588163.db2.gz UQFJFRAMWJBVEY-IBGZPJMESA-N 0 1 383.444 3.481 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc(C(C)=O)c1)CC2 ZINC000565721734 974588165 /nfs/dbraw/zinc/58/81/65/974588165.db2.gz UQFJFRAMWJBVEY-IBGZPJMESA-N 0 1 383.444 3.481 20 0 GGADMN O=C([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nn1 ZINC000566295709 974604234 /nfs/dbraw/zinc/60/42/34/974604234.db2.gz VDKNGSGIUWPATR-UHFFFAOYSA-N 0 1 398.463 3.365 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](C[C@H](OC)c1ccccc1)CC2 ZINC000567241766 974629307 /nfs/dbraw/zinc/62/93/07/974629307.db2.gz IWBIDCMYWBZOKD-RXVVDRJESA-N 0 1 385.460 3.465 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000567595490 974637948 /nfs/dbraw/zinc/63/79/48/974637948.db2.gz JPVLGGSACGVOST-ZWKOTPCHSA-N 0 1 377.481 3.019 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2ncncc2C(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000567976307 974651089 /nfs/dbraw/zinc/65/10/89/974651089.db2.gz KTLWBRNFBRSLID-XJKSGUPXSA-N 0 1 394.397 3.111 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000568065664 974658507 /nfs/dbraw/zinc/65/85/07/974658507.db2.gz BXHUUKVSCOECAX-SDADXPQNSA-N 0 1 387.398 3.163 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000568992565 974682958 /nfs/dbraw/zinc/68/29/58/974682958.db2.gz QDGVRNJSCDCQJA-GBXCKJPGSA-N 0 1 391.467 3.308 20 0 GGADMN O=C([O-])c1cccc2c1CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000570177815 974705761 /nfs/dbraw/zinc/70/57/61/974705761.db2.gz FVOPVPYGZSORFI-OAHLLOKOSA-N 0 1 379.378 3.365 20 0 GGADMN COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)CCC1 ZINC000570338386 974709081 /nfs/dbraw/zinc/70/90/81/974709081.db2.gz SHTMGODIXAVWJT-HOCLYGCPSA-N 0 1 389.427 3.077 20 0 GGADMN CO[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000571777849 974736183 /nfs/dbraw/zinc/73/61/83/974736183.db2.gz CRLNUJQREZNHJV-DZGCQCFKSA-N 0 1 375.387 3.428 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000571821245 974737004 /nfs/dbraw/zinc/73/70/04/974737004.db2.gz LKXMDIUQIKAOCH-GOTSBHOMSA-N 0 1 393.531 3.489 20 0 GGADMN CC(C)(C)c1cccc(OCCC[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000572414800 974748208 /nfs/dbraw/zinc/74/82/08/974748208.db2.gz MFBQNCAAPKNNGN-KRWDZBQOSA-N 0 1 386.496 3.380 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCC[C@@H]2CC(=O)[O-])c2ccccc2)cc1 ZINC000573126089 974761251 /nfs/dbraw/zinc/76/12/51/974761251.db2.gz GAWQWECNNQYGMY-MQSCRBSSSA-N 0 1 383.488 3.401 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@H+]([C@@H](C)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC000573452424 974765273 /nfs/dbraw/zinc/76/52/73/974765273.db2.gz ORPWRDNYEAWCDN-ZDUSSCGKSA-N 0 1 389.448 3.474 20 0 GGADMN O=C([O-])c1cccc(NC2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000575409470 974799370 /nfs/dbraw/zinc/79/93/70/974799370.db2.gz MLWVLEOCRYZIHL-UHFFFAOYSA-N 0 1 381.480 3.246 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@@H](C(=O)[O-])C1 ZINC000576600028 974818077 /nfs/dbraw/zinc/81/80/77/974818077.db2.gz SFOHSYCZISOWBW-IEBWSBKVSA-N 0 1 391.899 3.266 20 0 GGADMN Cc1sc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1C(=O)[O-] ZINC000577282305 974833176 /nfs/dbraw/zinc/83/31/76/974833176.db2.gz FGGXKGQOPDOGOZ-ZDUSSCGKSA-N 0 1 385.411 3.277 20 0 GGADMN C[C@H](C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1)C(=O)[O-] ZINC000577857201 974843436 /nfs/dbraw/zinc/84/34/36/974843436.db2.gz UFBQPZGEKBTDHZ-MRXNPFEDSA-N 0 1 393.480 3.212 20 0 GGADMN Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000578540861 974857297 /nfs/dbraw/zinc/85/72/97/974857297.db2.gz NIMHELVLAFPJCZ-FCEUIQTBSA-N 0 1 383.488 3.401 20 0 GGADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000580202338 974890964 /nfs/dbraw/zinc/89/09/64/974890964.db2.gz XGTVQPYCUPARQZ-SFHVURJKSA-N 0 1 375.852 3.443 20 0 GGADMN C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000580778305 974900073 /nfs/dbraw/zinc/90/00/73/974900073.db2.gz HXIBQNQBXLLMAF-HNNXBMFYSA-N 0 1 383.366 3.275 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000581017688 974903718 /nfs/dbraw/zinc/90/37/18/974903718.db2.gz MKEVRVGRCAOMKI-BWAGFHJFSA-N 0 1 381.472 3.126 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)CC1 ZINC000581137632 974905441 /nfs/dbraw/zinc/90/54/41/974905441.db2.gz XRFSWDKOKBYHEV-ZPUOCTKUSA-N 0 1 376.522 3.329 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000581731468 974914893 /nfs/dbraw/zinc/91/48/93/974914893.db2.gz BDJDJPRHKUIUPC-UWJYYQICSA-N 0 1 389.879 3.116 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000582612494 974928983 /nfs/dbraw/zinc/92/89/83/974928983.db2.gz VQPCIQXWVUPCOJ-YLJYHZDGSA-N 0 1 393.405 3.337 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000582612487 974929060 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BXWVBIBJZLFFQP-MOPGFXCFSA-N 0 1 386.879 3.289 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000630140878 975124710 /nfs/dbraw/zinc/12/47/10/975124710.db2.gz BXWVBIBJZLFFQP-MOPGFXCFSA-N 0 1 386.879 3.289 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000630156625 975133482 /nfs/dbraw/zinc/13/34/82/975133482.db2.gz NISXSTZYGAWBCS-SFHVURJKSA-N 0 1 378.900 3.408 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000630156625 975133489 /nfs/dbraw/zinc/13/34/89/975133489.db2.gz NISXSTZYGAWBCS-SFHVURJKSA-N 0 1 378.900 3.408 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc3c1CCOC3)CC2 ZINC000634692019 975272316 /nfs/dbraw/zinc/27/23/16/975272316.db2.gz SGGPWBPAYASFNN-FQEVSTJZSA-N 0 1 397.471 3.351 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000646148592 975349213 /nfs/dbraw/zinc/34/92/13/975349213.db2.gz OAHHUZYMOWTCIU-BPQIPLTHSA-N 0 1 393.915 3.247 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1c1ccccc1 ZINC000647369328 975358524 /nfs/dbraw/zinc/35/85/24/975358524.db2.gz FVQSQJJJOHDJPG-FCEWJHQRSA-N 0 1 384.863 3.246 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1csc(COc2ccccc2)n1)C1CCOCC1 ZINC000647367218 975358657 /nfs/dbraw/zinc/35/86/57/975358657.db2.gz ZMLCXANDYFKREG-UHFFFAOYSA-N 0 1 376.478 3.178 20 0 GGADMN CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001591657671 975392086 /nfs/dbraw/zinc/39/20/86/975392086.db2.gz WGHJQCRJUWYMCZ-RDJZCZTQSA-N 0 1 378.469 3.028 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1c1cncc(C(=O)[O-])n1 ZINC000649395870 975413412 /nfs/dbraw/zinc/41/34/12/975413412.db2.gz GVKUABMRBYMIDE-LJQANCHMSA-N 0 1 382.508 3.344 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000650504438 975444345 /nfs/dbraw/zinc/44/43/45/975444345.db2.gz NJWQYAODZPJLHH-NHCUHLMSSA-N 0 1 380.488 3.416 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000650504727 975444547 /nfs/dbraw/zinc/44/45/47/975444547.db2.gz AAQAWIKZKLAKRX-ICSRJNTNSA-N 0 1 388.508 3.468 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000650504437 975445099 /nfs/dbraw/zinc/44/50/99/975445099.db2.gz NJWQYAODZPJLHH-LEWJYISDSA-N 0 1 380.488 3.416 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000650505914 975446592 /nfs/dbraw/zinc/44/65/92/975446592.db2.gz VGHDAJAEBULEAX-GOSISDBHSA-N 0 1 376.472 3.083 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000650505562 975446938 /nfs/dbraw/zinc/44/69/38/975446938.db2.gz HVLKKMIEIJMPHX-FQEVSTJZSA-N 0 1 396.487 3.211 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000650506004 975447694 /nfs/dbraw/zinc/44/76/94/975447694.db2.gz ZAASLCPXPDMSJC-JSGCOSHPSA-N 0 1 388.386 3.092 20 0 GGADMN CC(C)OC(=O)Cc1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC001591682446 975475291 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JOPMGHXYHJZNDZ-SFHVURJKSA-N 0 1 377.868 3.283 20 0 GGADMN COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(C)(C)C(=O)[O-])C3)n2)c(OC)c1 ZINC000652500294 975564197 /nfs/dbraw/zinc/56/41/97/975564197.db2.gz KKYSKULZIDIGAX-CYBMUJFWSA-N 0 1 389.452 3.077 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652510498 975568490 /nfs/dbraw/zinc/56/84/90/975568490.db2.gz CIXAHKNFBNWXOR-GJZGRUSLSA-N 0 1 384.451 3.190 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652510497 975568666 /nfs/dbraw/zinc/56/86/66/975568666.db2.gz CIXAHKNFBNWXOR-CABCVRRESA-N 0 1 384.451 3.190 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C1CC1 ZINC000652515058 975572903 /nfs/dbraw/zinc/57/29/03/975572903.db2.gz NANYTMPFKIVKKW-DLBZAZTESA-N 0 1 376.453 3.404 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC001591711062 975589903 /nfs/dbraw/zinc/58/99/03/975589903.db2.gz IHFTZJMDOOGXTA-HNNXBMFYSA-N 0 1 387.249 3.380 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)(F)F)nn1)C(=O)[O-] ZINC000656190821 975643645 /nfs/dbraw/zinc/64/36/45/975643645.db2.gz SFTLESMLLZMTII-ZDUSSCGKSA-N 0 1 383.370 3.141 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)nn1 ZINC000656190697 975643680 /nfs/dbraw/zinc/64/36/80/975643680.db2.gz CXERPNOMPIUAEF-IBGZPJMESA-N 0 1 392.459 3.392 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000656763170 975690516 /nfs/dbraw/zinc/69/05/16/975690516.db2.gz DXRIVJUJPIKZFS-UFYCRDLUSA-N 0 1 383.492 3.464 20 0 GGADMN CC(C)Oc1c(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cccc1C(=O)[O-] ZINC001591745144 975775472 /nfs/dbraw/zinc/77/54/72/975775472.db2.gz YEQFKXWNJLQXHM-NVXWUHKLSA-N 0 1 375.469 3.310 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cccc1C(=O)[O-] ZINC001591747350 975791267 /nfs/dbraw/zinc/79/12/67/975791267.db2.gz LLDZYTRVGUVGTD-OAHLLOKOSA-N 0 1 375.425 3.189 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cccc1C(=O)[O-] ZINC001591747348 975791476 /nfs/dbraw/zinc/79/14/76/975791476.db2.gz LLDZYTRVGUVGTD-HNNXBMFYSA-N 0 1 375.425 3.189 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cccc1C(=O)[O-] ZINC001591747738 975797550 /nfs/dbraw/zinc/79/75/50/975797550.db2.gz YDUQIGKHSPZNEW-OAHLLOKOSA-N 0 1 375.469 3.310 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001591763667 975870570 /nfs/dbraw/zinc/87/05/70/975870570.db2.gz YCUZOTDDEYOYHB-MRXNPFEDSA-N 0 1 389.496 3.368 20 0 GGADMN Cc1ccc(S(=O)(=O)CCC[N@@H+](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000659790388 975877879 /nfs/dbraw/zinc/87/78/79/975877879.db2.gz QUAQUJWDQIQEBO-UHFFFAOYSA-N 0 1 375.490 3.136 20 0 GGADMN CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)[C@H](C(=O)[O-])C1 ZINC000659794302 975883005 /nfs/dbraw/zinc/88/30/05/975883005.db2.gz HZRBFSOBJIXROC-RKVPGOIHSA-N 0 1 399.915 3.076 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nncn2-c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000659796626 975886940 /nfs/dbraw/zinc/88/69/40/975886940.db2.gz HIOXIRFAFORNDT-ZWKOTPCHSA-N 0 1 382.851 3.221 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(-c3ccccn3)no2)C[C@H]1c1ccc(Cl)cc1 ZINC000659797598 975887002 /nfs/dbraw/zinc/88/70/02/975887002.db2.gz MWQRCSCIGGDONP-LSDHHAIUSA-N 0 1 384.823 3.085 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000659797697 975887030 /nfs/dbraw/zinc/88/70/30/975887030.db2.gz VTHAGFPXFGUREM-JKSUJKDBSA-N 0 1 380.366 3.323 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221228 975901168 /nfs/dbraw/zinc/90/11/68/975901168.db2.gz CVHDWNFFQUKUQK-MJGOQNOKSA-N 0 1 382.435 3.314 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221228 975901171 /nfs/dbraw/zinc/90/11/71/975901171.db2.gz CVHDWNFFQUKUQK-MJGOQNOKSA-N 0 1 382.435 3.314 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221218 975902256 /nfs/dbraw/zinc/90/22/56/975902256.db2.gz CVHDWNFFQUKUQK-HKUYNNGSSA-N 0 1 382.435 3.314 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)C2=O)c1 ZINC000662221218 975902267 /nfs/dbraw/zinc/90/22/67/975902267.db2.gz CVHDWNFFQUKUQK-HKUYNNGSSA-N 0 1 382.435 3.314 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132021 975930474 /nfs/dbraw/zinc/93/04/74/975930474.db2.gz HRBMKDHCTQEZTA-NHCUHLMSSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132021 975930484 /nfs/dbraw/zinc/93/04/84/975930484.db2.gz HRBMKDHCTQEZTA-NHCUHLMSSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132016 975930502 /nfs/dbraw/zinc/93/05/02/975930502.db2.gz HRBMKDHCTQEZTA-LEWJYISDSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)Cc2ccccc21 ZINC000663132016 975930515 /nfs/dbraw/zinc/93/05/15/975930515.db2.gz HRBMKDHCTQEZTA-LEWJYISDSA-N 0 1 396.462 3.391 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000666538862 975967331 /nfs/dbraw/zinc/96/73/31/975967331.db2.gz VANAZCFPMBYKBA-ROUUACIJSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000666538862 975967343 /nfs/dbraw/zinc/96/73/43/975967343.db2.gz VANAZCFPMBYKBA-ROUUACIJSA-N 0 1 387.867 3.283 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000666539900 975967839 /nfs/dbraw/zinc/96/78/39/975967839.db2.gz AMHSBKDBKIHJDI-YCHQTSKFSA-N 0 1 399.535 3.230 20 0 GGADMN COCC[N@@H+](CC(=O)[O-])Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000666578963 975974956 /nfs/dbraw/zinc/97/49/56/975974956.db2.gz SHENPQDTXMSCPO-UHFFFAOYSA-N 0 1 376.840 3.125 20 0 GGADMN CCCC[C@H](NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000680362661 976053253 /nfs/dbraw/zinc/05/32/53/976053253.db2.gz KOVSIBPRTCWJKW-AEFFLSMTSA-N 0 1 376.497 3.313 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1cc(F)ccc1F ZINC000683173679 976080231 /nfs/dbraw/zinc/08/02/31/976080231.db2.gz OBGMWVQPILHQLK-GOSISDBHSA-N 0 1 375.350 3.264 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591910354 976317583 /nfs/dbraw/zinc/31/75/83/976317583.db2.gz DJJNAPBXYKLBCW-GOSISDBHSA-N 0 1 382.464 3.154 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001591910705 976323516 /nfs/dbraw/zinc/32/35/16/976323516.db2.gz MMQRUXSAIRBYAY-GOSISDBHSA-N 0 1 376.497 3.391 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)CC(=O)[O-])CC2)cc1 ZINC001591954090 976521350 /nfs/dbraw/zinc/52/13/50/976521350.db2.gz JJKKIRXICLXOAR-UHFFFAOYSA-N 0 1 375.513 3.138 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001591971970 976569414 /nfs/dbraw/zinc/56/94/14/976569414.db2.gz ABFACSPPAPBRRX-GOSISDBHSA-N 0 1 390.524 3.128 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cc2ccc(C(=O)[O-])nc2)c1 ZINC001592039588 976762267 /nfs/dbraw/zinc/76/22/67/976762267.db2.gz NXKKIHZHDHHLAE-UHFFFAOYSA-N 0 1 378.432 3.329 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001592148089 977006627 /nfs/dbraw/zinc/00/66/27/977006627.db2.gz AYTQINCMYHQGLR-VOCYLRNQSA-N 0 1 384.480 3.215 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001592268380 977522988 /nfs/dbraw/zinc/52/29/88/977522988.db2.gz LHMLRMUWDIGVIT-JXFKEZNVSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC001592268380 977522991 /nfs/dbraw/zinc/52/29/91/977522991.db2.gz LHMLRMUWDIGVIT-JXFKEZNVSA-N 0 1 387.524 3.489 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccn1 ZINC001592322163 977725450 /nfs/dbraw/zinc/72/54/50/977725450.db2.gz PYXLRYOOUBDLII-GOTSBHOMSA-N 0 1 395.503 3.409 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]CC(=O)Nc1ccc(SC(F)F)cc1)c1ccccn1 ZINC001592322881 977730718 /nfs/dbraw/zinc/73/07/18/977730718.db2.gz QTEYHKNAJJCNKB-SFHVURJKSA-N 0 1 395.431 3.315 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccnc1 ZINC001592329796 977762143 /nfs/dbraw/zinc/76/21/43/977762143.db2.gz MRPNVNUIUSKVMD-HXUWFJFHSA-N 0 1 397.456 3.414 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cccnc1 ZINC001592329795 977762340 /nfs/dbraw/zinc/76/23/40/977762340.db2.gz MRPNVNUIUSKVMD-FQEVSTJZSA-N 0 1 397.456 3.414 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccnc1 ZINC001592329861 977763446 /nfs/dbraw/zinc/76/34/46/977763446.db2.gz NWUYKZDSWIDHRW-JOCHJYFZSA-N 0 1 376.460 3.236 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1sc(N2CCCC2)nc1Cl)c1ccncc1 ZINC001592330071 977764521 /nfs/dbraw/zinc/76/45/21/977764521.db2.gz QETRDFUEOONNIO-QGZVFWFLSA-N 0 1 380.901 3.271 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC001592405647 977975685 /nfs/dbraw/zinc/97/56/85/977975685.db2.gz BGIVEURBQDTMFV-JTQLQIEISA-N 0 1 395.233 3.093 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001592409313 977994622 /nfs/dbraw/zinc/99/46/22/977994622.db2.gz POOHABUWSLUADC-GFCCVEGCSA-N 0 1 398.475 3.088 20 0 GGADMN CC(=O)N1CC[NH+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)[O-])CC1 ZINC000736134841 978305751 /nfs/dbraw/zinc/30/57/51/978305751.db2.gz RCZAINZMSSMMBC-UHFFFAOYSA-N 0 1 389.455 3.264 20 0 GGADMN C[C@@](CCF)([NH2+]CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C(=O)[O-] ZINC001592498286 978309982 /nfs/dbraw/zinc/30/99/82/978309982.db2.gz XEJVSWZFGALKEI-SFHVURJKSA-N 0 1 390.440 3.022 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736276213 978315804 /nfs/dbraw/zinc/31/58/04/978315804.db2.gz NUIMPGJWDAKGNS-AWEZNQCLSA-N 0 1 384.423 3.108 20 0 GGADMN C[C@@H](CCNC(=O)Nc1cccc(OCC(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001592521997 978378548 /nfs/dbraw/zinc/37/85/48/978378548.db2.gz TZOFTYVSOMTVKP-INIZCTEOSA-N 0 1 385.464 3.182 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1)C(C)C ZINC000737101816 978379146 /nfs/dbraw/zinc/37/91/46/978379146.db2.gz JHSWUUPZUHFJPR-UHFFFAOYSA-N 0 1 375.494 3.277 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)[O-] ZINC001592583135 978495528 /nfs/dbraw/zinc/49/55/28/978495528.db2.gz LPYOAZYTPNIECI-JSGCOSHPSA-N 0 1 391.518 3.140 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001592584990 978506242 /nfs/dbraw/zinc/50/62/42/978506242.db2.gz WGIOSZVFFWBPFV-GFCCVEGCSA-N 0 1 393.459 3.361 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1ccccc1)C(=O)[O-] ZINC001592592477 978516862 /nfs/dbraw/zinc/51/68/62/978516862.db2.gz DECLFOHQYMQHDU-GOSISDBHSA-N 0 1 380.488 3.405 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC1)C(=O)[O-] ZINC001592593214 978525181 /nfs/dbraw/zinc/52/51/81/978525181.db2.gz XNRZESHCVFGNEY-OAHLLOKOSA-N 0 1 398.507 3.293 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1)C(=O)[O-] ZINC001592604536 978544058 /nfs/dbraw/zinc/54/40/58/978544058.db2.gz FKWBAHCZUUBKII-ICSRJNTNSA-N 0 1 380.488 3.372 20 0 GGADMN C[C@@H](CNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1)[N@@H+](C)C1CC1 ZINC001592659921 978643196 /nfs/dbraw/zinc/64/31/96/978643196.db2.gz JWAPJHQETXTUHD-AWEZNQCLSA-N 0 1 398.507 3.238 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569103 978645798 /nfs/dbraw/zinc/64/57/98/978645798.db2.gz VBYKGASKCHPEIT-DLBZAZTESA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569103 978645804 /nfs/dbraw/zinc/64/58/04/978645804.db2.gz VBYKGASKCHPEIT-DLBZAZTESA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569105 978645873 /nfs/dbraw/zinc/64/58/73/978645873.db2.gz VBYKGASKCHPEIT-IAGOWNOFSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000739569105 978645876 /nfs/dbraw/zinc/64/58/76/978645876.db2.gz VBYKGASKCHPEIT-IAGOWNOFSA-N 0 1 378.900 3.265 20 0 GGADMN COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000818311115 978909511 /nfs/dbraw/zinc/90/95/11/978909511.db2.gz KYIQSMDOBAGGNA-QHCPKHFHSA-N 0 1 396.487 3.024 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC1 ZINC000827374848 978958105 /nfs/dbraw/zinc/95/81/05/978958105.db2.gz NDWRTBAPYCNVBB-CYBMUJFWSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC1 ZINC000827374850 978958132 /nfs/dbraw/zinc/95/81/32/978958132.db2.gz NDWRTBAPYCNVBB-ZDUSSCGKSA-N 0 1 385.489 3.014 20 0 GGADMN COc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1Cl ZINC000832393560 979044965 /nfs/dbraw/zinc/04/49/65/979044965.db2.gz CDIOBTRPNHYCGR-KRWDZBQOSA-N 0 1 388.851 3.189 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832842714 979049197 /nfs/dbraw/zinc/04/91/97/979049197.db2.gz COMHXHCJLDGEKN-RBUKOAKNSA-N 0 1 395.503 3.456 20 0 GGADMN Cc1cc(CNc2cccc(C[NH+]3CCN(C)CC3)c2)cc(C)c1OCC(=O)[O-] ZINC000832886609 979052691 /nfs/dbraw/zinc/05/26/91/979052691.db2.gz VMYXTBYAZBSDJB-UHFFFAOYSA-N 0 1 397.519 3.126 20 0 GGADMN Cc1ccccc1[C@@H](O)C[NH+]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000832981232 979063872 /nfs/dbraw/zinc/06/38/72/979063872.db2.gz DBHWWHMXVOCYLJ-PMACEKPBSA-N 0 1 388.895 3.125 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001595017689 979082242 /nfs/dbraw/zinc/08/22/42/979082242.db2.gz JSZMPFSBNCQSRP-IXDOHACOSA-N 0 1 391.560 3.213 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001595017703 979083223 /nfs/dbraw/zinc/08/32/23/979083223.db2.gz KFBJEHSOFQHPIN-RCCFBDPRSA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001595017830 979084526 /nfs/dbraw/zinc/08/45/26/979084526.db2.gz LYHWDXVQAOJQBI-BZSNNMDCSA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001595018249 979089355 /nfs/dbraw/zinc/08/93/55/979089355.db2.gz QKRGKBXFXUEWMV-AEFFLSMTSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC001592682457 979102938 /nfs/dbraw/zinc/10/29/38/979102938.db2.gz KXTVGASONLOCDJ-MRXNPFEDSA-N 0 1 397.475 3.108 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000833173656 979107758 /nfs/dbraw/zinc/10/77/58/979107758.db2.gz FLVVDZQVFLXKFF-GOSISDBHSA-N 0 1 390.842 3.453 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682990 979108251 /nfs/dbraw/zinc/10/82/51/979108251.db2.gz JZMLBTXKMDSJRU-UPJWGTAASA-N 0 1 391.493 3.219 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682990 979108254 /nfs/dbraw/zinc/10/82/54/979108254.db2.gz JZMLBTXKMDSJRU-UPJWGTAASA-N 0 1 391.493 3.219 20 0 GGADMN CC[C@@H](CC(F)(F)F)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001595039871 979218297 /nfs/dbraw/zinc/21/82/97/979218297.db2.gz WMVOOBKIJNFPQE-YJBOKZPZSA-N 0 1 386.414 3.201 20 0 GGADMN CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001595049370 979271673 /nfs/dbraw/zinc/27/16/73/979271673.db2.gz AZLHEYZECMWJLB-MRXNPFEDSA-N 0 1 382.451 3.294 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2)C[C@H](C)O1 ZINC000841771909 979308518 /nfs/dbraw/zinc/30/85/18/979308518.db2.gz ZYASEOAEPHWBNR-HOTGVXAUSA-N 0 1 394.471 3.197 20 0 GGADMN C[C@@](CO)([NH2+]Cc1ccc(C(=O)[O-])cc1F)c1cccc(Br)c1 ZINC001592750945 979317863 /nfs/dbraw/zinc/31/78/63/979317863.db2.gz QLBASBREOLBUAA-KRWDZBQOSA-N 0 1 382.229 3.284 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000842659111 979323219 /nfs/dbraw/zinc/32/32/19/979323219.db2.gz ANJSSRHIXRHFIB-VXGBXAGGSA-N 0 1 383.286 3.340 20 0 GGADMN O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000842674123 979324459 /nfs/dbraw/zinc/32/44/59/979324459.db2.gz VZIYSSPUXCYQCS-PMACEKPBSA-N 0 1 384.520 3.392 20 0 GGADMN CC[N@@H+](CCCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)C1CCCCC1 ZINC000844827743 979400654 /nfs/dbraw/zinc/40/06/54/979400654.db2.gz BXCQJMBIMKYAIT-KAMYIIQDSA-N 0 1 394.537 3.107 20 0 GGADMN CC[N@@H+](CCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)C1CCCCC1 ZINC000844827757 979400853 /nfs/dbraw/zinc/40/08/53/979400853.db2.gz BXCQJMBIMKYAIT-SDNWHVSQSA-N 0 1 394.537 3.107 20 0 GGADMN COc1ccccc1C[C@H](C)[N@H+](Cc1cn(CC(=O)[O-])nn1)Cc1ccccc1 ZINC000846243275 979420085 /nfs/dbraw/zinc/42/00/85/979420085.db2.gz FYDOVKQCZASTOM-KRWDZBQOSA-N 0 1 394.475 3.005 20 0 GGADMN COc1ccccc1C[C@H](C)[N@@H+](Cc1cn(CC(=O)[O-])nn1)Cc1ccccc1 ZINC000846243275 979420088 /nfs/dbraw/zinc/42/00/88/979420088.db2.gz FYDOVKQCZASTOM-KRWDZBQOSA-N 0 1 394.475 3.005 20 0 GGADMN C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000846246433 979423711 /nfs/dbraw/zinc/42/37/11/979423711.db2.gz HUJKRQZNARJANT-WUQYLLKWSA-N 0 1 398.434 3.040 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000846246433 979423712 /nfs/dbraw/zinc/42/37/12/979423712.db2.gz HUJKRQZNARJANT-WUQYLLKWSA-N 0 1 398.434 3.040 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)Cc2ccccc21 ZINC000846270393 979435551 /nfs/dbraw/zinc/43/55/51/979435551.db2.gz HUBNXLRZGSHJEK-DOTOQJQBSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000846270816 979436957 /nfs/dbraw/zinc/43/69/57/979436957.db2.gz NQZJDFBHZVFJGU-IAGOWNOFSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000846273223 979438045 /nfs/dbraw/zinc/43/80/45/979438045.db2.gz DMKFLDQEQKXPRH-QGZVFWFLSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)CC2 ZINC000846273223 979438049 /nfs/dbraw/zinc/43/80/49/979438049.db2.gz DMKFLDQEQKXPRH-QGZVFWFLSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000846275586 979441576 /nfs/dbraw/zinc/44/15/76/979441576.db2.gz JECKQTXOQSJJPY-QZTJIDSGSA-N 0 1 390.277 3.384 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000846275125 979441618 /nfs/dbraw/zinc/44/16/18/979441618.db2.gz DDRYSHHYTJHEAZ-GOSISDBHSA-N 0 1 388.261 3.491 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc2c(c1)COC2 ZINC000846275125 979441619 /nfs/dbraw/zinc/44/16/19/979441619.db2.gz DDRYSHHYTJHEAZ-GOSISDBHSA-N 0 1 388.261 3.491 20 0 GGADMN COc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])cs2)cc1 ZINC000846278741 979445555 /nfs/dbraw/zinc/44/55/55/979445555.db2.gz SYMQQWIYRYWZDR-BOFPYLFWSA-N 0 1 388.489 3.416 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000846280280 979450025 /nfs/dbraw/zinc/45/00/25/979450025.db2.gz KEXTUZATBCVGLG-MJGOQNOKSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](CC/C=C\c3ccc(Br)cc3)C[C@H]1COCC2 ZINC000846281851 979452483 /nfs/dbraw/zinc/45/24/83/979452483.db2.gz JZQVHORIAKPFDA-OOASWDBCSA-N 0 1 380.282 3.276 20 0 GGADMN C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000846283084 979454363 /nfs/dbraw/zinc/45/43/63/979454363.db2.gz DPBZNVLJKWZWER-SPKLELGKSA-N 0 1 376.840 3.479 20 0 GGADMN CCC(CC)[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001595114331 979462771 /nfs/dbraw/zinc/46/27/71/979462771.db2.gz DIJUPTWQEVYWBX-UHFFFAOYSA-N 0 1 382.482 3.133 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@H]2CCCC[C@@H]12 ZINC000849345316 979496726 /nfs/dbraw/zinc/49/67/26/979496726.db2.gz ICYHWAVUUVOMHJ-YVSFHVDLSA-N 0 1 382.298 3.448 20 0 GGADMN O=C([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000851707069 979573757 /nfs/dbraw/zinc/57/37/57/979573757.db2.gz REIPDPJFUXPNSC-QGZVFWFLSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C2 ZINC000851707069 979573761 /nfs/dbraw/zinc/57/37/61/979573761.db2.gz REIPDPJFUXPNSC-QGZVFWFLSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@H]1c1ccc(Cl)cc1 ZINC000851709073 979579739 /nfs/dbraw/zinc/57/97/39/979579739.db2.gz RIJCQKIUXFBIRC-ZWKOTPCHSA-N 0 1 382.851 3.221 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1SC(F)(F)F ZINC000851708805 979579943 /nfs/dbraw/zinc/57/99/43/979579943.db2.gz ZNSHDEHNIAOWHQ-VXGBXAGGSA-N 0 1 379.400 3.371 20 0 GGADMN C/C(=C/C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1)C(=O)[O-] ZINC000851708864 979580051 /nfs/dbraw/zinc/58/00/51/979580051.db2.gz NMSUIJHOBFFDNW-VDFGQWLZSA-N 0 1 385.245 3.187 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001592837662 979582197 /nfs/dbraw/zinc/58/21/97/979582197.db2.gz BPOKVZCIVYZEGV-MOPGFXCFSA-N 0 1 384.879 3.055 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)nn1 ZINC000859815383 979645720 /nfs/dbraw/zinc/64/57/20/979645720.db2.gz TYKAEGBKSAUTKK-INIZCTEOSA-N 0 1 397.410 3.140 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)nn1 ZINC000859815383 979645725 /nfs/dbraw/zinc/64/57/25/979645725.db2.gz TYKAEGBKSAUTKK-INIZCTEOSA-N 0 1 397.410 3.140 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000859815848 979645855 /nfs/dbraw/zinc/64/58/55/979645855.db2.gz XPVAPOOAHHXQBS-IUODEOHRSA-N 0 1 382.386 3.436 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)nn1 ZINC000859815386 979646219 /nfs/dbraw/zinc/64/62/19/979646219.db2.gz TYKAEGBKSAUTKK-MRXNPFEDSA-N 0 1 397.410 3.140 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)nn1 ZINC000859815386 979646226 /nfs/dbraw/zinc/64/62/26/979646226.db2.gz TYKAEGBKSAUTKK-MRXNPFEDSA-N 0 1 397.410 3.140 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1cccc(Br)c1 ZINC000859816367 979647245 /nfs/dbraw/zinc/64/72/45/979647245.db2.gz CHLAPOVCHYIOSW-DOMZBBRYSA-N 0 1 393.285 3.179 20 0 GGADMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccc2c(c1)CCO2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000859816706 979648201 /nfs/dbraw/zinc/64/82/01/979648201.db2.gz IUVZJAJQMLYWGE-XUEUYAKLSA-N 0 1 380.488 3.247 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC001592859972 979686400 /nfs/dbraw/zinc/68/64/00/979686400.db2.gz BWDDWVOTENVUHQ-GOSISDBHSA-N 0 1 395.503 3.342 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(=O)[O-] ZINC001592860243 979688409 /nfs/dbraw/zinc/68/84/09/979688409.db2.gz GOMWZWYRXJEDBI-MDYRTPRTSA-N 0 1 385.508 3.430 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592861370 979697913 /nfs/dbraw/zinc/69/79/13/979697913.db2.gz ROJBVNWJZPWMDG-DYESRHJHSA-N 0 1 395.503 3.340 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592861370 979697915 /nfs/dbraw/zinc/69/79/15/979697915.db2.gz ROJBVNWJZPWMDG-DYESRHJHSA-N 0 1 395.503 3.340 20 0 GGADMN C[C@H](Cc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC001592873396 979735189 /nfs/dbraw/zinc/73/51/89/979735189.db2.gz UDEWVIVZJBVNGO-MRXNPFEDSA-N 0 1 381.476 3.130 20 0 GGADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1ccccc1C(=O)[O-] ZINC000864172131 979803583 /nfs/dbraw/zinc/80/35/83/979803583.db2.gz PKKCRVPQWMSEEQ-TZIWHRDSSA-N 0 1 378.472 3.460 20 0 GGADMN CC[C@](COC)([NH2+]CC(=O)Nc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001595194252 979897809 /nfs/dbraw/zinc/89/78/09/979897809.db2.gz DVUIXNWDRHMLNV-HXUWFJFHSA-N 0 1 388.489 3.246 20 0 GGADMN CC[C@@](COC)([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595195759 979917178 /nfs/dbraw/zinc/91/71/78/979917178.db2.gz YCNKASALZTWJCX-GCJKJVERSA-N 0 1 390.524 3.117 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001595204283 979975492 /nfs/dbraw/zinc/97/54/92/979975492.db2.gz FJIFXUSWPSBVAH-MCRQTXEHSA-N 0 1 376.522 3.139 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000872165979 980060954 /nfs/dbraw/zinc/06/09/54/980060954.db2.gz PZDFGAKPFRBFAE-QFBILLFUSA-N 0 1 375.396 3.122 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC000872165979 980060957 /nfs/dbraw/zinc/06/09/57/980060957.db2.gz PZDFGAKPFRBFAE-QFBILLFUSA-N 0 1 375.396 3.122 20 0 GGADMN CC[C@](NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237393 980144732 /nfs/dbraw/zinc/14/47/32/980144732.db2.gz FNWCDLUIVLPDCD-AADOQKPJSA-N 0 1 378.900 3.267 20 0 GGADMN CC[C@](NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237396 980144955 /nfs/dbraw/zinc/14/49/55/980144955.db2.gz FNWCDLUIVLPDCD-PNQCTFMGSA-N 0 1 378.900 3.267 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])CC2)cs1 ZINC000887557288 980222922 /nfs/dbraw/zinc/22/29/22/980222922.db2.gz GMQXHISMCSEPCL-GOSISDBHSA-N 0 1 393.553 3.203 20 0 GGADMN Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073473 980245283 /nfs/dbraw/zinc/24/52/83/980245283.db2.gz JPOHHFKXHULCDZ-LBPRGKRZSA-N 0 1 382.233 3.416 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000901425359 980270420 /nfs/dbraw/zinc/27/04/20/980270420.db2.gz XTORKRVHPVEAFM-FOIQADDNSA-N 0 1 398.459 3.150 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000901425359 980270422 /nfs/dbraw/zinc/27/04/22/980270422.db2.gz XTORKRVHPVEAFM-FOIQADDNSA-N 0 1 398.459 3.150 20 0 GGADMN CC[N@@H+](CC(=O)[O-])Cc1cc(Br)c(OC)c(Br)c1 ZINC000901426421 980270966 /nfs/dbraw/zinc/27/09/66/980270966.db2.gz JAMQJIIDOGEOPV-UHFFFAOYSA-N 0 1 381.064 3.127 20 0 GGADMN CC[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000901426800 980272015 /nfs/dbraw/zinc/27/20/15/980272015.db2.gz REBOJURPRDDJNC-UHFFFAOYSA-N 0 1 379.254 3.330 20 0 GGADMN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901428811 980275880 /nfs/dbraw/zinc/27/58/80/980275880.db2.gz OKUUMFNPYKFJFO-AWEZNQCLSA-N 0 1 397.313 3.276 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000901431804 980281512 /nfs/dbraw/zinc/28/15/12/980281512.db2.gz PZGGWRCIGKFCAY-SFHVURJKSA-N 0 1 388.851 3.041 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000901431804 980281516 /nfs/dbraw/zinc/28/15/16/980281516.db2.gz PZGGWRCIGKFCAY-SFHVURJKSA-N 0 1 388.851 3.041 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000901435442 980282546 /nfs/dbraw/zinc/28/25/46/980282546.db2.gz AJJIEKAEEBAMHI-UHFFFAOYSA-N 0 1 387.324 3.291 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000901435442 980282548 /nfs/dbraw/zinc/28/25/48/980282548.db2.gz AJJIEKAEEBAMHI-UHFFFAOYSA-N 0 1 387.324 3.291 20 0 GGADMN C[C@H](NC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c1ccccn1)c1ccc2ccccc2c1 ZINC001593029588 980300739 /nfs/dbraw/zinc/30/07/39/980300739.db2.gz UXBRAGDLCRPVLV-HJPURHCSSA-N 0 1 391.471 3.392 20 0 GGADMN C[C@H](NC(=O)C[NH2+][C@](C)(CC(=O)[O-])c1ccccn1)c1ccc2ccccc2c1 ZINC001593029590 980301070 /nfs/dbraw/zinc/30/10/70/980301070.db2.gz UXBRAGDLCRPVLV-QMHKHESXSA-N 0 1 391.471 3.392 20 0 GGADMN C[C@@H](NC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c1ccccn1)c1ccc2ccccc2c1 ZINC001593029589 980301391 /nfs/dbraw/zinc/30/13/91/980301391.db2.gz UXBRAGDLCRPVLV-MWTRTKDXSA-N 0 1 391.471 3.392 20 0 GGADMN C[C@@H](NC(=O)C[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])c1ccc(F)cc1 ZINC001593030090 980302882 /nfs/dbraw/zinc/30/28/82/980302882.db2.gz WZHKXOWXOQDEGT-ACJLOTCBSA-N 0 1 384.407 3.035 20 0 GGADMN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nn1 ZINC000901523735 980344884 /nfs/dbraw/zinc/34/48/84/980344884.db2.gz GRAAUTSWRSQFAZ-LLVKDONJSA-N 0 1 386.786 3.068 20 0 GGADMN 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C[C@@H]1C[N@@H+](Cc2ccc(I)cc2Cl)C[C@H]1CC(=O)[O-] ZINC000903629395 981004917 /nfs/dbraw/zinc/00/49/17/981004917.db2.gz DYBSUWVNZFZJJZ-MWLCHTKSSA-N 0 1 393.652 3.487 20 0 GGADMN Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3Br)C2)n1 ZINC000903630989 981006906 /nfs/dbraw/zinc/00/69/06/981006906.db2.gz JAXWGYZWPOAPBE-AWEZNQCLSA-N 0 1 378.270 3.260 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000903630998 981007128 /nfs/dbraw/zinc/00/71/28/981007128.db2.gz JFQADFSSOXRCOC-CZUORRHYSA-N 0 1 378.270 3.188 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631364 981007703 /nfs/dbraw/zinc/00/77/03/981007703.db2.gz RDOSFMFIBIXXFF-MLGOLLRUSA-N 0 1 378.270 3.188 20 0 GGADMN COc1ccc(F)cc1-c1cncc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1 ZINC000903703039 981016154 /nfs/dbraw/zinc/01/61/54/981016154.db2.gz PDFYJTBTFDBJPS-UHFFFAOYSA-N 0 1 388.439 3.352 20 0 GGADMN COc1cc(C[N@H+](CC(=O)[O-])C[C@H]2CCC[C@H](C(F)(F)F)O2)cc(OC)c1 ZINC000903900850 981027846 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MDORJTMVPSEEMP-JQWIXIFHSA-N 0 1 382.482 3.133 20 0 GGADMN CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595415948 981031229 /nfs/dbraw/zinc/03/12/29/981031229.db2.gz NXSSGSUCXKUGNV-CMPLNLGQSA-N 0 1 382.482 3.133 20 0 GGADMN O=C([O-])[C@]1(O)CC[N@@H+]([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912374 981035099 /nfs/dbraw/zinc/03/50/99/981035099.db2.gz AUUPWDCKXNPJFB-AEFFLSMTSA-N 0 1 394.240 3.199 20 0 GGADMN O=C([O-])[C@]1(O)CC[N@H+]([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912374 981035105 /nfs/dbraw/zinc/03/51/05/981035105.db2.gz AUUPWDCKXNPJFB-AEFFLSMTSA-N 0 1 394.240 3.199 20 0 GGADMN Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)c(C)cc1I ZINC000903914905 981035881 /nfs/dbraw/zinc/03/58/81/981035881.db2.gz IBIYHURKWWIPLH-TZMCWYRMSA-N 0 1 387.261 3.451 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)s1 ZINC000903923705 981039609 /nfs/dbraw/zinc/03/96/09/981039609.db2.gz AKQKLMXSVHGORZ-LLVKDONJSA-N 0 1 387.383 3.167 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)C2)s1 ZINC000903923706 981039642 /nfs/dbraw/zinc/03/96/42/981039642.db2.gz AKQKLMXSVHGORZ-NSHDSACASA-N 0 1 387.383 3.167 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000903925403 981043756 /nfs/dbraw/zinc/04/37/56/981043756.db2.gz UVZXXQBHYWKDEG-OAHLLOKOSA-N 0 1 398.488 3.143 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC(F)F ZINC000903926232 981044361 /nfs/dbraw/zinc/04/43/61/981044361.db2.gz ABMWYZVIPUZRIW-NSHDSACASA-N 0 1 384.404 3.441 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000903926237 981044666 /nfs/dbraw/zinc/04/46/66/981044666.db2.gz AEHSJYDMCOCJKV-DGCLKSJQSA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1C[C@H](O)c1ccccc1Br ZINC000903930389 981049694 /nfs/dbraw/zinc/04/96/94/981049694.db2.gz ADMDZINNFPNPJI-RDJZCZTQSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000903930389 981049696 /nfs/dbraw/zinc/04/96/96/981049696.db2.gz ADMDZINNFPNPJI-RDJZCZTQSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1C[C@@H](O)c1ccccc1Br ZINC000903930388 981049765 /nfs/dbraw/zinc/04/97/65/981049765.db2.gz ADMDZINNFPNPJI-NVXWUHKLSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000903930388 981049770 /nfs/dbraw/zinc/04/97/70/981049770.db2.gz ADMDZINNFPNPJI-NVXWUHKLSA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1CCOc1ccccc1Br ZINC000903930820 981051707 /nfs/dbraw/zinc/05/17/07/981051707.db2.gz IMZPIHUNKJUZHC-QGZVFWFLSA-N 0 1 392.249 3.348 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1CCOc1ccccc1Br ZINC000903930820 981051710 /nfs/dbraw/zinc/05/17/10/981051710.db2.gz IMZPIHUNKJUZHC-QGZVFWFLSA-N 0 1 392.249 3.348 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1CCOc1ccccc1Br ZINC000903930819 981051851 /nfs/dbraw/zinc/05/18/51/981051851.db2.gz IMZPIHUNKJUZHC-KRWDZBQOSA-N 0 1 392.249 3.348 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1CCOc1ccccc1Br ZINC000903930819 981051855 /nfs/dbraw/zinc/05/18/55/981051855.db2.gz IMZPIHUNKJUZHC-KRWDZBQOSA-N 0 1 392.249 3.348 20 0 GGADMN O=C([O-])c1cnc(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)cn1 ZINC000903934006 981054471 /nfs/dbraw/zinc/05/44/71/981054471.db2.gz HGPRIRDHRURRKH-HNNXBMFYSA-N 0 1 376.254 3.144 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)c1 ZINC000903941461 981061888 /nfs/dbraw/zinc/06/18/88/981061888.db2.gz OUDUHQDPNMGMEO-VUCTXSBTSA-N 0 1 398.297 3.302 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)[C@H]([C@H]2CCCO2)C1 ZINC000903942559 981065144 /nfs/dbraw/zinc/06/51/44/981065144.db2.gz XVKXPTGWPOXKLS-AYOQOUSVSA-N 0 1 383.448 3.113 20 0 GGADMN Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C[C@H]3[C@H]3CCCO3)cc2)n1 ZINC000903943211 981067043 /nfs/dbraw/zinc/06/70/43/981067043.db2.gz GROBXAFMQWDKEV-SESVDKBCSA-N 0 1 383.492 3.333 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000903943593 981068195 /nfs/dbraw/zinc/06/81/95/981068195.db2.gz LWKCRCWBGREEGH-PVAVHDDUSA-N 0 1 387.398 3.472 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)ccc1OC(F)F ZINC000903945032 981071006 /nfs/dbraw/zinc/07/10/06/981071006.db2.gz UOEMZOFCBIWSCS-SOUVJXGZSA-N 0 1 385.407 3.141 20 0 GGADMN Cn1cc([C@@H]2CSCCC[N@@H+]2CCOc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000903946600 981071679 /nfs/dbraw/zinc/07/16/79/981071679.db2.gz KSGSTLNJNYNBGN-INIZCTEOSA-N 0 1 395.912 3.331 20 0 GGADMN Cn1cc([C@@H]2CSCCC[N@H+]2CCOc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000903946600 981071682 /nfs/dbraw/zinc/07/16/82/981071682.db2.gz KSGSTLNJNYNBGN-INIZCTEOSA-N 0 1 395.912 3.331 20 0 GGADMN Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(C(=O)[O-])c3cccnc23)cn1 ZINC000903946524 981071919 /nfs/dbraw/zinc/07/19/19/981071919.db2.gz JARYFAQFRGFHRY-SFHVURJKSA-N 0 1 382.489 3.347 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000903963329 981078912 /nfs/dbraw/zinc/07/89/12/981078912.db2.gz XEKOVLJAAGBJKR-ZMAHGOAUSA-N 0 1 386.414 3.120 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000903963329 981078916 /nfs/dbraw/zinc/07/89/16/981078916.db2.gz XEKOVLJAAGBJKR-ZMAHGOAUSA-N 0 1 386.414 3.120 20 0 GGADMN CCc1cc(Oc2ccc(F)cc2C[NH2+]CC(=O)NCC(=O)[O-])ccc1Cl ZINC000904053084 981083472 /nfs/dbraw/zinc/08/34/72/981083472.db2.gz CCFFJDLSPRJHCR-UHFFFAOYSA-N 0 1 394.830 3.124 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000904269724 981084714 /nfs/dbraw/zinc/08/47/14/981084714.db2.gz QVLKINSVVRZQAU-UHFFFAOYSA-N 0 1 386.279 3.411 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000904269724 981084721 /nfs/dbraw/zinc/08/47/21/981084721.db2.gz QVLKINSVVRZQAU-UHFFFAOYSA-N 0 1 386.279 3.411 20 0 GGADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444678 981089996 /nfs/dbraw/zinc/08/99/96/981089996.db2.gz UIRULXHWENNLAL-CHWSQXEVSA-N 0 1 396.509 3.380 20 0 GGADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444781 981090261 /nfs/dbraw/zinc/09/02/61/981090261.db2.gz UIRULXHWENNLAL-STQMWFEESA-N 0 1 396.509 3.380 20 0 GGADMN CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595448033 981097196 /nfs/dbraw/zinc/09/71/96/981097196.db2.gz KTTAXLLDVDLHJY-LBPRGKRZSA-N 0 1 382.482 3.134 20 0 GGADMN Cc1nccn1CCCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377587 981099570 /nfs/dbraw/zinc/09/95/70/981099570.db2.gz WSSZQZVEWUZKMC-INIZCTEOSA-N 0 1 380.286 3.492 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595450936 981104563 /nfs/dbraw/zinc/10/45/63/981104563.db2.gz DSILFEYPUNVHSL-LBPRGKRZSA-N 0 1 382.482 3.134 20 0 GGADMN Cc1cc([C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(=O)[O-])ccc1F ZINC000905388565 981107367 /nfs/dbraw/zinc/10/73/67/981107367.db2.gz ZFVQWEQXEAVWBL-TZIWHRDSSA-N 0 1 386.467 3.141 20 0 GGADMN Cc1cc([C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(=O)[O-])ccc1F ZINC000905388565 981107373 /nfs/dbraw/zinc/10/73/73/981107373.db2.gz ZFVQWEQXEAVWBL-TZIWHRDSSA-N 0 1 386.467 3.141 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595453180 981117875 /nfs/dbraw/zinc/11/78/75/981117875.db2.gz MYIXEJUAIRQLRG-GFCCVEGCSA-N 0 1 382.892 3.455 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNCc2ccc(/C=C/C(=O)[O-])o2)CCOCC1 ZINC000905727873 981126214 /nfs/dbraw/zinc/12/62/14/981126214.db2.gz ABRIXACFIDRALK-MDZDMXLPSA-N 0 1 384.476 3.148 20 0 GGADMN CN(Cc1ccccc1)C1(C[NH2+]Cc2ccc(/C=C/C(=O)[O-])o2)CCOCC1 ZINC000905727873 981126217 /nfs/dbraw/zinc/12/62/17/981126217.db2.gz ABRIXACFIDRALK-MDZDMXLPSA-N 0 1 384.476 3.148 20 0 GGADMN Cn1c(C[N@@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)nc2ccc(Cl)cc21 ZINC000905739674 981132819 /nfs/dbraw/zinc/13/28/19/981132819.db2.gz NIBYGIXTFAXTCI-SNVBAGLBSA-N 0 1 376.869 3.371 20 0 GGADMN Cn1c(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)nc2ccc(Cl)cc21 ZINC000905739674 981132821 /nfs/dbraw/zinc/13/28/21/981132821.db2.gz NIBYGIXTFAXTCI-SNVBAGLBSA-N 0 1 376.869 3.371 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1OC(F)F ZINC000905748765 981135883 /nfs/dbraw/zinc/13/58/83/981135883.db2.gz IWZBPIBFPIFUMF-NSHDSACASA-N 0 1 384.404 3.441 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1OC(F)F ZINC000905748764 981136263 /nfs/dbraw/zinc/13/62/63/981136263.db2.gz IWZBPIBFPIFUMF-LLVKDONJSA-N 0 1 384.404 3.441 20 0 GGADMN Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905749714 981136937 /nfs/dbraw/zinc/13/69/37/981136937.db2.gz MTOOAPPCLVAQEN-CYBMUJFWSA-N 0 1 386.452 3.464 20 0 GGADMN CCOCc1cc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC ZINC000905749728 981137153 /nfs/dbraw/zinc/13/71/53/981137153.db2.gz NMLFWVYBPKMFGD-AWEZNQCLSA-N 0 1 376.478 3.376 20 0 GGADMN C[C@@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905752960 981141009 /nfs/dbraw/zinc/14/10/09/981141009.db2.gz XVFULLOATGJNPE-VQIMIIECSA-N 0 1 378.476 3.443 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000906861496 981172975 /nfs/dbraw/zinc/17/29/75/981172975.db2.gz MKBDHVZTZFNSOR-GOSISDBHSA-N 0 1 394.537 3.016 20 0 GGADMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001595482735 981208720 /nfs/dbraw/zinc/20/87/20/981208720.db2.gz JFEBILBPTPZKGV-HNNXBMFYSA-N 0 1 385.464 3.251 20 0 GGADMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001595482736 981208796 /nfs/dbraw/zinc/20/87/96/981208796.db2.gz JFEBILBPTPZKGV-OAHLLOKOSA-N 0 1 385.464 3.251 20 0 GGADMN CC[C@H]1C[N@H+]([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484373 981219295 /nfs/dbraw/zinc/21/92/95/981219295.db2.gz QFUISKOYRFEVNH-UGKGYDQZSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@H]1CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484373 981219300 /nfs/dbraw/zinc/21/93/00/981219300.db2.gz QFUISKOYRFEVNH-UGKGYDQZSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@H]1CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484373 981219302 /nfs/dbraw/zinc/21/93/02/981219302.db2.gz QFUISKOYRFEVNH-UGKGYDQZSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CCN1Cc1ccccc1 ZINC001595484368 981219978 /nfs/dbraw/zinc/21/99/78/981219978.db2.gz QFUISKOYRFEVNH-KNQAVFIVSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484368 981219982 /nfs/dbraw/zinc/21/99/82/981219982.db2.gz QFUISKOYRFEVNH-KNQAVFIVSA-N 0 1 398.503 3.426 20 0 GGADMN CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484368 981219985 /nfs/dbraw/zinc/21/99/85/981219985.db2.gz QFUISKOYRFEVNH-KNQAVFIVSA-N 0 1 398.503 3.426 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907798702 981222341 /nfs/dbraw/zinc/22/23/41/981222341.db2.gz IKEXYMLKGULDJY-QPPBQGQZSA-N 0 1 392.499 3.288 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC000907798704 981222390 /nfs/dbraw/zinc/22/23/90/981222390.db2.gz IKEXYMLKGULDJY-XUZZJYLKSA-N 0 1 392.499 3.288 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000907800569 981223232 /nfs/dbraw/zinc/22/32/32/981223232.db2.gz RTHPFKWGVYNPNE-REWPJTCUSA-N 0 1 384.520 3.360 20 0 GGADMN CC[C@H]1CN([C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001595484696 981224914 /nfs/dbraw/zinc/22/49/14/981224914.db2.gz XGQXMIVPHBIORX-LEWJYISDSA-N 0 1 396.487 3.195 20 0 GGADMN C[C@H](c1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000907810673 981225699 /nfs/dbraw/zinc/22/56/99/981225699.db2.gz IPBMUXSLNXSTGC-AYPBNUJASA-N 0 1 394.471 3.277 20 0 GGADMN CC1(C)CN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000907813439 981226586 /nfs/dbraw/zinc/22/65/86/981226586.db2.gz ZPLVWIXZKQPEOY-YKSBVNFPSA-N 0 1 392.499 3.368 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907822634 981227165 /nfs/dbraw/zinc/22/71/65/981227165.db2.gz NNVLAUKASFGLNH-LEEZEASISA-N 0 1 392.499 3.225 20 0 GGADMN CC[C@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001595488407 981234743 /nfs/dbraw/zinc/23/47/43/981234743.db2.gz NXFFWKQKMVOZKE-YJBOKZPZSA-N 0 1 392.496 3.389 20 0 GGADMN CC[C@H]1CN(Cn2nc(C(=O)[O-])c(Cl)c2C)CC[N@H+]1Cc1ccccc1 ZINC001595490834 981243258 /nfs/dbraw/zinc/24/32/58/981243258.db2.gz GDBRBRIVTUAKAP-INIZCTEOSA-N 0 1 376.888 3.097 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H]1O ZINC001595490931 981243948 /nfs/dbraw/zinc/24/39/48/981243948.db2.gz IMWNXAGVFYQCIZ-ZUZCIYMTSA-N 0 1 384.263 3.080 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4ccc(C(=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000908065454 981259146 /nfs/dbraw/zinc/25/91/46/981259146.db2.gz QNQZQOLYTCCNMF-IYBDPMFKSA-N 0 1 394.471 3.197 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4ccc(C(=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000908065454 981259148 /nfs/dbraw/zinc/25/91/48/981259148.db2.gz QNQZQOLYTCCNMF-IYBDPMFKSA-N 0 1 394.471 3.197 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCCN(C(=O)[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000908147814 981268903 /nfs/dbraw/zinc/26/89/03/981268903.db2.gz MOKOFDPLNIEVEL-FQEVSTJZSA-N 0 1 394.471 3.018 20 0 GGADMN O=C([O-])C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CCS2 ZINC000908179106 981280565 /nfs/dbraw/zinc/28/05/65/981280565.db2.gz ZNZBBBLAKOTPHH-GLEGPSONSA-N 0 1 380.554 3.029 20 0 GGADMN O=C([O-])C1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CCS2 ZINC000908179109 981280587 /nfs/dbraw/zinc/28/05/87/981280587.db2.gz ZNZBBBLAKOTPHH-WAGVIYRNSA-N 0 1 380.554 3.029 20 0 GGADMN O=C([O-])C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CCS2 ZINC000908179108 981280661 /nfs/dbraw/zinc/28/06/61/981280661.db2.gz ZNZBBBLAKOTPHH-RHELOZEPSA-N 0 1 380.554 3.029 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000908419936 981315707 /nfs/dbraw/zinc/31/57/07/981315707.db2.gz FIROSXJUSBPSRT-QYZOEREBSA-N 0 1 396.487 3.246 20 0 GGADMN Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000908424441 981317350 /nfs/dbraw/zinc/31/73/50/981317350.db2.gz BMCWGDLPKAKTCL-FGTMMUONSA-N 0 1 382.460 3.317 20 0 GGADMN O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000908583953 981322923 /nfs/dbraw/zinc/32/29/23/981322923.db2.gz WCRSAEZSRHNRMP-NRFANRHFSA-N 0 1 380.488 3.402 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000908613924 981330534 /nfs/dbraw/zinc/33/05/34/981330534.db2.gz YRYNECAUMOMETB-TUFLPTIASA-N 0 1 384.520 3.185 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001595529397 981363506 /nfs/dbraw/zinc/36/35/06/981363506.db2.gz PSYXZBKHFXYWIW-CYBMUJFWSA-N 0 1 397.313 3.276 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(Br)cc1 ZINC000908848784 981377364 /nfs/dbraw/zinc/37/73/64/981377364.db2.gz MNGVFBFNECOXHW-OWCLPIDISA-N 0 1 395.297 3.098 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908855060 981377880 /nfs/dbraw/zinc/37/78/80/981377880.db2.gz JKHBNZNQWZKIPX-OAHLLOKOSA-N 0 1 399.369 3.203 20 0 GGADMN O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000908900798 981385460 /nfs/dbraw/zinc/38/54/60/981385460.db2.gz LQJLQDMAJTUGIC-LJQANCHMSA-N 0 1 384.451 3.151 20 0 GGADMN CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000909001405 981399244 /nfs/dbraw/zinc/39/92/44/981399244.db2.gz KRQWOJOFHRFKFU-RTWAWAEBSA-N 0 1 380.488 3.225 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000909031333 981404966 /nfs/dbraw/zinc/40/49/66/981404966.db2.gz BPPMZIFHWQCGSH-IRLDBZIGSA-N 0 1 392.499 3.152 20 0 GGADMN O=C([O-])COc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000909128819 981423081 /nfs/dbraw/zinc/42/30/81/981423081.db2.gz YEXITTBMHXHIQB-SFHVURJKSA-N 0 1 382.460 3.043 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909136553 981425379 /nfs/dbraw/zinc/42/53/79/981425379.db2.gz KZPOYGPZBWHVNW-CYBMUJFWSA-N 0 1 380.448 3.161 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909235442 981439638 /nfs/dbraw/zinc/43/96/38/981439638.db2.gz BGVVILTYHQTRLM-CRAIPNDOSA-N 0 1 392.858 3.142 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000909245137 981443494 /nfs/dbraw/zinc/44/34/94/981443494.db2.gz BDOCYAWNGHPEJD-FCHUYYIVSA-N 0 1 394.515 3.409 20 0 GGADMN Cc1cccc(C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000909245138 981443536 /nfs/dbraw/zinc/44/35/36/981443536.db2.gz BDOCYAWNGHPEJD-FGZHOGPDSA-N 0 1 394.515 3.409 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000909245139 981443586 /nfs/dbraw/zinc/44/35/86/981443586.db2.gz BDOCYAWNGHPEJD-VXKWHMMOSA-N 0 1 394.515 3.409 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000909255136 981447426 /nfs/dbraw/zinc/44/74/26/981447426.db2.gz MKIOQFNFBSVXLM-LEWJYISDSA-N 0 1 398.478 3.473 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000909255136 981447431 /nfs/dbraw/zinc/44/74/31/981447431.db2.gz MKIOQFNFBSVXLM-LEWJYISDSA-N 0 1 398.478 3.473 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000909255137 981447437 /nfs/dbraw/zinc/44/74/37/981447437.db2.gz MKIOQFNFBSVXLM-NHCUHLMSSA-N 0 1 398.478 3.473 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000909255137 981447438 /nfs/dbraw/zinc/44/74/38/981447438.db2.gz MKIOQFNFBSVXLM-NHCUHLMSSA-N 0 1 398.478 3.473 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1cccc2ccccc21 ZINC000909263198 981451253 /nfs/dbraw/zinc/45/12/53/981451253.db2.gz YWHALLOMDXWUEC-ZJOUEHCJSA-N 0 1 380.488 3.216 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1cccc2ccccc21 ZINC000909263196 981451382 /nfs/dbraw/zinc/45/13/82/981451382.db2.gz YWHALLOMDXWUEC-IRFCIJBXSA-N 0 1 380.488 3.216 20 0 GGADMN O=C([O-])CCCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000909265562 981452280 /nfs/dbraw/zinc/45/22/80/981452280.db2.gz ZWLACWSCBYHPKV-FQEVSTJZSA-N 0 1 388.508 3.344 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)cc1F ZINC000909295661 981462928 /nfs/dbraw/zinc/46/29/28/981462928.db2.gz HNHPZEHBVSLNRR-AVRDEDQJSA-N 0 1 398.434 3.001 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000909325540 981468687 /nfs/dbraw/zinc/46/86/87/981468687.db2.gz LNTNFGTUJFUNHW-IBGZPJMESA-N 0 1 386.517 3.215 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000909452562 981495852 /nfs/dbraw/zinc/49/58/52/981495852.db2.gz FOPUYWIYUMOUND-LJQANCHMSA-N 0 1 396.462 3.321 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000909452561 981495929 /nfs/dbraw/zinc/49/59/29/981495929.db2.gz FOPUYWIYUMOUND-IBGZPJMESA-N 0 1 396.462 3.321 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000909490928 981508839 /nfs/dbraw/zinc/50/88/39/981508839.db2.gz MMZCYVRJPAOWCL-VQTJNVASSA-N 0 1 386.536 3.291 20 0 GGADMN CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000909508115 981516710 /nfs/dbraw/zinc/51/67/10/981516710.db2.gz BOYNQNPITNLFBU-OAQYLSRUSA-N 0 1 396.487 3.163 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001595580455 981517866 /nfs/dbraw/zinc/51/78/66/981517866.db2.gz HMEJNVLTLTZCBY-OIPCOOBTSA-N 0 1 388.508 3.180 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001595580456 981517903 /nfs/dbraw/zinc/51/79/03/981517903.db2.gz HMEJNVLTLTZCBY-QVIVTLILSA-N 0 1 388.508 3.180 20 0 GGADMN Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000909512856 981520093 /nfs/dbraw/zinc/52/00/93/981520093.db2.gz KPHUPORUUWLRPH-FQEVSTJZSA-N 0 1 382.460 3.138 20 0 GGADMN Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000909515682 981522092 /nfs/dbraw/zinc/52/20/92/981522092.db2.gz IBKRRSMPBIMPEW-PKOBYXMFSA-N 0 1 398.507 3.188 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000909518976 981525281 /nfs/dbraw/zinc/52/52/81/981525281.db2.gz FPMNMUTWCADKBM-LPHOPBHVSA-N 0 1 381.476 3.196 20 0 GGADMN O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000909668907 981564632 /nfs/dbraw/zinc/56/46/32/981564632.db2.gz ROSATPOBBCEHIA-RTBURBONSA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000909668907 981564639 /nfs/dbraw/zinc/56/46/39/981564639.db2.gz ROSATPOBBCEHIA-RTBURBONSA-N 0 1 376.472 3.330 20 0 GGADMN O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000909669847 981565472 /nfs/dbraw/zinc/56/54/72/981565472.db2.gz IZZFUENSALAGHJ-JSGCOSHPSA-N 0 1 387.402 3.015 20 0 GGADMN C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000909683750 981570703 /nfs/dbraw/zinc/57/07/03/981570703.db2.gz VSDWXQMFGCMSRQ-VGOFRKELSA-N 0 1 384.451 3.154 20 0 GGADMN C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000909684744 981571543 /nfs/dbraw/zinc/57/15/43/981571543.db2.gz ZPXOQKSNEYJHFS-QVKFZJNVSA-N 0 1 376.472 3.286 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000909702726 981576095 /nfs/dbraw/zinc/57/60/95/981576095.db2.gz IKRNYYCJCPBCQM-QUCCMNQESA-N 0 1 384.451 3.022 20 0 GGADMN C[NH+](C)[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000909703733 981577043 /nfs/dbraw/zinc/57/70/43/981577043.db2.gz QYBNUPXXHVSVLM-SJORKVTESA-N 0 1 378.831 3.066 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000909703877 981577065 /nfs/dbraw/zinc/57/70/65/981577065.db2.gz SDBRWWKCFKYRMV-TZIWHRDSSA-N 0 1 398.478 3.065 20 0 GGADMN C[NH+](C)[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000909703732 981577210 /nfs/dbraw/zinc/57/72/10/981577210.db2.gz QYBNUPXXHVSVLM-IRXDYDNUSA-N 0 1 378.831 3.066 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000909703876 981577318 /nfs/dbraw/zinc/57/73/18/981577318.db2.gz SDBRWWKCFKYRMV-PZJWPPBQSA-N 0 1 398.478 3.065 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000909731922 981585500 /nfs/dbraw/zinc/58/55/00/981585500.db2.gz IQGTVYXVMABLRP-GJZGRUSLSA-N 0 1 398.459 3.255 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1cccc(Br)c1 ZINC000909755098 981590820 /nfs/dbraw/zinc/59/08/20/981590820.db2.gz APFLDBIWUBFSQL-OAGGEKHMSA-N 0 1 395.297 3.098 20 0 GGADMN CN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000909784115 981619116 /nfs/dbraw/zinc/61/91/16/981619116.db2.gz HMTNHNYKSYPTPB-IBGZPJMESA-N 0 1 396.487 3.068 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000909790944 981628186 /nfs/dbraw/zinc/62/81/86/981628186.db2.gz SIPNTCNBHHZIFJ-UTKZUKDTSA-N 0 1 396.487 3.382 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)CC2)cs1 ZINC000909832230 981649669 /nfs/dbraw/zinc/64/96/69/981649669.db2.gz QZRBHMXUDFMBDE-ZDUSSCGKSA-N 0 1 387.505 3.490 20 0 GGADMN CCC[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC001595617409 981652760 /nfs/dbraw/zinc/65/27/60/981652760.db2.gz KIEOYVYYGRMQOA-HXUWFJFHSA-N 0 1 376.453 3.012 20 0 GGADMN CC[C@@](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000909840707 981661046 /nfs/dbraw/zinc/66/10/46/981661046.db2.gz CUQJFZSBQMMNHM-REWPJTCUSA-N 0 1 398.478 3.339 20 0 GGADMN CC[C@@](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000909840707 981661052 /nfs/dbraw/zinc/66/10/52/981661052.db2.gz CUQJFZSBQMMNHM-REWPJTCUSA-N 0 1 398.478 3.339 20 0 GGADMN CC[C@](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)(C(=O)[O-])c1ccccc1 ZINC000909844732 981668176 /nfs/dbraw/zinc/66/81/76/981668176.db2.gz OVLRJLAUDXKMDJ-WIYYLYMNSA-N 0 1 388.895 3.492 20 0 GGADMN CC[C@@](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC000909844787 981668197 /nfs/dbraw/zinc/66/81/97/981668197.db2.gz GDVMRAXDXPDRRY-QHCPKHFHSA-N 0 1 395.503 3.155 20 0 GGADMN CC[C@@](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)(C(=O)[O-])c1ccccc1 ZINC000909844728 981668489 /nfs/dbraw/zinc/66/84/89/981668489.db2.gz OVLRJLAUDXKMDJ-RXVVDRJESA-N 0 1 388.895 3.492 20 0 GGADMN CC[C@](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000909845334 981669605 /nfs/dbraw/zinc/66/96/05/981669605.db2.gz LBEOOFLRJYWGGJ-HYBUGGRVSA-N 0 1 394.515 3.447 20 0 GGADMN O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000909845434 981670058 /nfs/dbraw/zinc/67/00/58/981670058.db2.gz ATKWGAGPXKTJFB-GOSISDBHSA-N 0 1 384.451 3.346 20 0 GGADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619986 981684101 /nfs/dbraw/zinc/68/41/01/981684101.db2.gz SSNUZUZEOXFYQO-SUMWQHHRSA-N 0 1 376.453 3.011 20 0 GGADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595620215 981686674 /nfs/dbraw/zinc/68/66/74/981686674.db2.gz ZMJZUNTZZMJENT-DGCLKSJQSA-N 0 1 396.509 3.380 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000909862943 981687194 /nfs/dbraw/zinc/68/71/94/981687194.db2.gz RJJXWTXOXVFIJL-ZJSXRUAMSA-N 0 1 392.499 3.296 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)CC2)[nH+]c1 ZINC000909960566 981714276 /nfs/dbraw/zinc/71/42/76/981714276.db2.gz PUBWUTOXCXRWGE-CEXWTWQISA-N 0 1 385.508 3.098 20 0 GGADMN O=C([O-])c1occc1CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000909962622 981715788 /nfs/dbraw/zinc/71/57/88/981715788.db2.gz NWXGIXBLYPHNLE-SFHVURJKSA-N 0 1 396.365 3.049 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000909986298 981730068 /nfs/dbraw/zinc/73/00/68/981730068.db2.gz GGYAGANERBYOOC-LJQANCHMSA-N 0 1 388.414 3.334 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000909986298 981730070 /nfs/dbraw/zinc/73/00/70/981730070.db2.gz GGYAGANERBYOOC-LJQANCHMSA-N 0 1 388.414 3.334 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000909986297 981730187 /nfs/dbraw/zinc/73/01/87/981730187.db2.gz GGYAGANERBYOOC-IBGZPJMESA-N 0 1 388.414 3.334 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(F)c1 ZINC000909986297 981730192 /nfs/dbraw/zinc/73/01/92/981730192.db2.gz GGYAGANERBYOOC-IBGZPJMESA-N 0 1 388.414 3.334 20 0 GGADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001594769677 981732652 /nfs/dbraw/zinc/73/26/52/981732652.db2.gz CKBDFUVZXZVRLS-UKRRQHHQSA-N 0 1 386.286 3.302 20 0 GGADMN CCC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Br)CC[N@H+]1CCOC ZINC001595624920 981740215 /nfs/dbraw/zinc/74/02/15/981740215.db2.gz JXZWWGQKVMTPRT-INIZCTEOSA-N 0 1 399.329 3.080 20 0 GGADMN CCC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC[N@H+]1CCOC ZINC001595625307 981747053 /nfs/dbraw/zinc/74/70/53/981747053.db2.gz RYEXWYXJZXMGMP-INIZCTEOSA-N 0 1 388.430 3.336 20 0 GGADMN CCC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC[N@H+]1CCOC ZINC001595625695 981751279 /nfs/dbraw/zinc/75/12/79/981751279.db2.gz YECDPNNXUXYWOU-IAGOWNOFSA-N 0 1 399.329 3.008 20 0 GGADMN CCC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Br)c2)CC[N@H+]1CCOC ZINC001595625697 981751695 /nfs/dbraw/zinc/75/16/95/981751695.db2.gz YECDPNNXUXYWOU-SJORKVTESA-N 0 1 399.329 3.008 20 0 GGADMN C[C@@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000910104027 981759968 /nfs/dbraw/zinc/75/99/68/981759968.db2.gz VCNQCUONMQQMPP-NDXORKPFSA-N 0 1 378.472 3.250 20 0 GGADMN C[C@@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000910104027 981759972 /nfs/dbraw/zinc/75/99/72/981759972.db2.gz VCNQCUONMQQMPP-NDXORKPFSA-N 0 1 378.472 3.250 20 0 GGADMN CC[C@@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)CC1CC1 ZINC001594778246 981774458 /nfs/dbraw/zinc/77/44/58/981774458.db2.gz MBVOTFPHDDRWCU-QFIPXVFZSA-N 0 1 398.507 3.393 20 0 GGADMN O=C([O-])c1ccc(F)c2c1CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000910207405 981782749 /nfs/dbraw/zinc/78/27/49/981782749.db2.gz NSOMQXCJEOVXRS-OAQYLSRUSA-N 0 1 396.462 3.463 20 0 GGADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001595628382 981784703 /nfs/dbraw/zinc/78/47/03/981784703.db2.gz WHFMBLUXMWUNSH-NGEICVOHSA-N 0 1 384.517 3.168 20 0 GGADMN CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000910219751 981790467 /nfs/dbraw/zinc/79/04/67/981790467.db2.gz KQNRNOPIBOOPGW-NSHDSACASA-N 0 1 381.379 3.377 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1F)C(=O)[O-] ZINC000910226756 981792460 /nfs/dbraw/zinc/79/24/60/981792460.db2.gz BHPDQRHGPXTPIA-ZIAGYGMSSA-N 0 1 386.423 3.063 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1F)C(=O)[O-] ZINC000910226756 981792463 /nfs/dbraw/zinc/79/24/63/981792463.db2.gz BHPDQRHGPXTPIA-ZIAGYGMSSA-N 0 1 386.423 3.063 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000910230781 981794435 /nfs/dbraw/zinc/79/44/35/981794435.db2.gz MBQQMJSGXNZYPT-SFTDATJTSA-N 0 1 386.536 3.338 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F)C(=O)[O-] ZINC000910233920 981798471 /nfs/dbraw/zinc/79/84/71/981798471.db2.gz QSJBZQJCVDGTNT-KGLIPLIRSA-N 0 1 378.444 3.271 20 0 GGADMN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC000910245600 981815227 /nfs/dbraw/zinc/81/52/27/981815227.db2.gz KDFFMADBTYIXAI-UHFFFAOYSA-N 0 1 392.459 3.122 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000910253873 981830269 /nfs/dbraw/zinc/83/02/69/981830269.db2.gz SYSKTURIOOJXPU-NHYWBVRUSA-N 0 1 381.270 3.411 20 0 GGADMN Cc1ccc(N2CCC(C(=O)Nc3ccc([C@@H]4C[C@H]4C(=O)[O-])cc3)CC2)[nH+]c1 ZINC000910301762 981860090 /nfs/dbraw/zinc/86/00/90/981860090.db2.gz WVBIZBNPDZVJNE-RBUKOAKNSA-N 0 1 379.460 3.433 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C2 ZINC000910421605 981926589 /nfs/dbraw/zinc/92/65/89/981926589.db2.gz NANPUHPMNUTHAL-KNBMTAEXSA-N 0 1 376.884 3.018 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C2 ZINC000910421605 981926593 /nfs/dbraw/zinc/92/65/93/981926593.db2.gz NANPUHPMNUTHAL-KNBMTAEXSA-N 0 1 376.884 3.018 20 0 GGADMN O=C([O-])CCc1csc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000910644512 982036925 /nfs/dbraw/zinc/03/69/25/982036925.db2.gz FZPOMHYKAVMHNF-MRXNPFEDSA-N 0 1 387.505 3.054 20 0 GGADMN CCCC[C@H](SCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(=O)[O-] ZINC001595655633 982046084 /nfs/dbraw/zinc/04/60/84/982046084.db2.gz NMFVOMJJKQBBBY-WMZOPIPTSA-N 0 1 378.538 3.268 20 0 GGADMN O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)nc2C1 ZINC000910685712 982062092 /nfs/dbraw/zinc/06/20/92/982062092.db2.gz UNJIEGZOPAPVNN-DOMZBBRYSA-N 0 1 377.510 3.068 20 0 GGADMN O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)nc2C1 ZINC000910685712 982062100 /nfs/dbraw/zinc/06/21/00/982062100.db2.gz UNJIEGZOPAPVNN-DOMZBBRYSA-N 0 1 377.510 3.068 20 0 GGADMN O=C([O-])[C@H]1CCc2sc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)nc2C1 ZINC000910685715 982062374 /nfs/dbraw/zinc/06/23/74/982062374.db2.gz UNJIEGZOPAPVNN-WFASDCNBSA-N 0 1 377.510 3.068 20 0 GGADMN O=C([O-])[C@H]1CCc2sc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)nc2C1 ZINC000910685715 982062383 /nfs/dbraw/zinc/06/23/83/982062383.db2.gz UNJIEGZOPAPVNN-WFASDCNBSA-N 0 1 377.510 3.068 20 0 GGADMN C[N@H+]1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C2(CCCCC2)C1 ZINC000910687267 982063950 /nfs/dbraw/zinc/06/39/50/982063950.db2.gz MYOZCPDVWQKEKY-UHFFFAOYSA-N 0 1 395.297 3.238 20 0 GGADMN CC[C@@](C)(O)C[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1 ZINC001594858082 982124021 /nfs/dbraw/zinc/12/40/21/982124021.db2.gz AQCUEJKONNODBV-JOCHJYFZSA-N 0 1 384.476 3.011 20 0 GGADMN CCCCC[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001595672323 982133325 /nfs/dbraw/zinc/13/33/25/982133325.db2.gz JNTWWKJHUQJZQI-MJGOQNOKSA-N 0 1 375.513 3.498 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000910947571 982172664 /nfs/dbraw/zinc/17/26/64/982172664.db2.gz HIQDTXSQEHWKMY-LJQANCHMSA-N 0 1 399.516 3.034 20 0 GGADMN O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000910990692 982185622 /nfs/dbraw/zinc/18/56/22/982185622.db2.gz ZRXXAAXQDJOAQK-VQTJNVASSA-N 0 1 396.512 3.361 20 0 GGADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001594878589 982225023 /nfs/dbraw/zinc/22/50/23/982225023.db2.gz WBBITKIONAMVOV-UMSGYPCISA-N 0 1 382.423 3.263 20 0 GGADMN CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC001594880886 982232338 /nfs/dbraw/zinc/23/23/38/982232338.db2.gz GPSDCCONOFRYDH-QWHCGFSZSA-N 0 1 376.453 3.009 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)C(=O)[O-] ZINC001595696755 982233519 /nfs/dbraw/zinc/23/35/19/982233519.db2.gz LNEIWUWEKYYSLK-DYESRHJHSA-N 0 1 377.529 3.185 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000911096724 982233610 /nfs/dbraw/zinc/23/36/10/982233610.db2.gz PMMGUOHGPRICLJ-CQSZACIVSA-N 0 1 388.489 3.484 20 0 GGADMN CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CC1 ZINC001594881486 982240887 /nfs/dbraw/zinc/24/08/87/982240887.db2.gz RTGMJLHQNUQMMI-ZYHUDNBSSA-N 0 1 396.509 3.379 20 0 GGADMN CCCCCC[C@](O)(C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C(=O)[O-] ZINC001595697469 982242928 /nfs/dbraw/zinc/24/29/28/982242928.db2.gz QTOFKUGJAFRREN-KRWDZBQOSA-N 0 1 391.434 3.394 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1)C(=O)[O-] ZINC000911132427 982253385 /nfs/dbraw/zinc/25/33/85/982253385.db2.gz NHYQPUZAVXPWIJ-KRWDZBQOSA-N 0 1 398.528 3.252 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001595698802 982254013 /nfs/dbraw/zinc/25/40/13/982254013.db2.gz XBKCLEPTPLQSTD-SUMWQHHRSA-N 0 1 389.418 3.071 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3CCC(=O)[O-])CC2)cc1 ZINC000911136058 982255868 /nfs/dbraw/zinc/25/58/68/982255868.db2.gz NJRJGHOFIJXPDJ-UHFFFAOYSA-N 0 1 396.487 3.061 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[NH+]1CCOCC1 ZINC000911151936 982261396 /nfs/dbraw/zinc/26/13/96/982261396.db2.gz LACAGVWKOFMOGD-OAQYLSRUSA-N 0 1 396.487 3.138 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000911164136 982263489 /nfs/dbraw/zinc/26/34/89/982263489.db2.gz AMBRXYJVIGOHDY-UHFFFAOYSA-N 0 1 380.488 3.360 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21)C(=O)[O-] ZINC001594886666 982266594 /nfs/dbraw/zinc/26/65/94/982266594.db2.gz AKUCMNBXMOTKBT-VDZJLULYSA-N 0 1 375.513 3.033 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCn2ccc(C(=O)[O-])n2)cc1 ZINC000911175870 982266682 /nfs/dbraw/zinc/26/66/82/982266682.db2.gz KAKVBYMACQIYEY-MRXNPFEDSA-N 0 1 384.480 3.375 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(C(=O)[O-])cc3)cc2)C1 ZINC000911176345 982267137 /nfs/dbraw/zinc/26/71/37/982267137.db2.gz KKEHVAVVZTWGLD-KRWDZBQOSA-N 0 1 380.488 3.476 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000911177331 982268912 /nfs/dbraw/zinc/26/89/12/982268912.db2.gz RGCNDWZFUCXHJS-KRWDZBQOSA-N 0 1 398.507 3.052 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000911177369 982269011 /nfs/dbraw/zinc/26/90/11/982269011.db2.gz RSTWJNAYKQLTOV-CALCHBBNSA-N 0 1 396.487 3.232 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1)C(=O)[O-] ZINC001595703549 982269571 /nfs/dbraw/zinc/26/95/71/982269571.db2.gz UVFRNFADCYHQOD-OAQYLSRUSA-N 0 1 379.497 3.454 20 0 GGADMN CCCCCC[C@@](O)(C[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1)C(=O)[O-] ZINC001595703588 982270461 /nfs/dbraw/zinc/27/04/61/982270461.db2.gz VLVZGLBSHUMHRR-JOCHJYFZSA-N 0 1 385.508 3.325 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1)C(=O)[O-] ZINC001595703588 982270467 /nfs/dbraw/zinc/27/04/67/982270467.db2.gz VLVZGLBSHUMHRR-JOCHJYFZSA-N 0 1 385.508 3.325 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(C(=O)[O-])n3)cc2)C1 ZINC000911188122 982273793 /nfs/dbraw/zinc/27/37/93/982273793.db2.gz NYCBQYPVQBGUCU-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000911190138 982275613 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QHZZVYCJEBPTEX-KRWDZBQOSA-N 0 1 391.471 3.189 20 0 GGADMN C[C@@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000911222660 982291746 /nfs/dbraw/zinc/29/17/46/982291746.db2.gz QFJTZLBIQVXFMV-ZDUSSCGKSA-N 0 1 397.500 3.033 20 0 GGADMN C[C@@H](CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000911222660 982291755 /nfs/dbraw/zinc/29/17/55/982291755.db2.gz QFJTZLBIQVXFMV-ZDUSSCGKSA-N 0 1 397.500 3.033 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001595711928 982302340 /nfs/dbraw/zinc/30/23/40/982302340.db2.gz FCZXTCMOYGGSQW-INIZCTEOSA-N 0 1 375.513 3.499 20 0 GGADMN CCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000911229990 982302502 /nfs/dbraw/zinc/30/25/02/982302502.db2.gz YGKZNGBEVZLLHP-SFHVURJKSA-N 0 1 381.476 3.297 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911235923 982306267 /nfs/dbraw/zinc/30/62/67/982306267.db2.gz HJSJXMOPOBEMSW-BBWFWOEESA-N 0 1 383.492 3.203 20 0 GGADMN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911243402 982310344 /nfs/dbraw/zinc/31/03/44/982310344.db2.gz XMDDHFJQANQMMF-UHFFFAOYSA-N 0 1 397.313 3.484 20 0 GGADMN O=C([O-])C12CCC(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)(CC1)CC2 ZINC000911253610 982317279 /nfs/dbraw/zinc/31/72/79/982317279.db2.gz FZLVBNIBBOHCFL-YUVSOPLDSA-N 0 1 384.520 3.440 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000911261569 982320303 /nfs/dbraw/zinc/32/03/03/982320303.db2.gz MBUKICXOWZFZLA-FZKCQIBNSA-N 0 1 378.538 3.348 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000911262532 982321357 /nfs/dbraw/zinc/32/13/57/982321357.db2.gz RSPMEIYTLBFNFA-GASCZTMLSA-N 0 1 385.508 3.281 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911264005 982322844 /nfs/dbraw/zinc/32/28/44/982322844.db2.gz SERMSNZCIJPDGQ-SJLPKXTDSA-N 0 1 391.471 3.291 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000911276569 982326606 /nfs/dbraw/zinc/32/66/06/982326606.db2.gz XHVVHMJWECXBAG-INIZCTEOSA-N 0 1 386.414 3.239 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000911314730 982334944 /nfs/dbraw/zinc/33/49/44/982334944.db2.gz FUDDCOLZMUPBAL-PKOBYXMFSA-N 0 1 399.535 3.077 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000911322197 982345385 /nfs/dbraw/zinc/34/53/85/982345385.db2.gz BLTKXXGGXSDMIS-FQEVSTJZSA-N 0 1 396.487 3.146 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911323116 982347226 /nfs/dbraw/zinc/34/72/26/982347226.db2.gz GUZDARRALAHIKO-FQEVSTJZSA-N 0 1 396.487 3.146 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001594898231 982347300 /nfs/dbraw/zinc/34/73/00/982347300.db2.gz VCEAGJFRDWMHPR-OGHNNQOOSA-N 0 1 375.494 3.076 20 0 GGADMN 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ZINC001596314564 983744996 /nfs/dbraw/zinc/74/49/96/983744996.db2.gz ZOYHTALNNMVHRL-UHFFFAOYSA-N 0 1 397.191 3.203 20 0 GGADMN CCN(CCC[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)CC(F)(F)F ZINC001596326962 983761262 /nfs/dbraw/zinc/76/12/62/983761262.db2.gz NWLOEXHWOJKAOX-HNNXBMFYSA-N 0 1 387.446 3.170 20 0 GGADMN CC[N@@H+](CCCNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1 ZINC001596327217 983762593 /nfs/dbraw/zinc/76/25/93/983762593.db2.gz UJYXYGNGJJOLTL-QGZVFWFLSA-N 0 1 393.450 3.080 20 0 GGADMN CC[N@@H+](CCCOc1c(Br)cccc1Br)CC(=O)[O-] ZINC001596329505 983767794 /nfs/dbraw/zinc/76/77/94/983767794.db2.gz VFFWCBBAAUCBEJ-UHFFFAOYSA-N 0 1 395.091 3.387 20 0 GGADMN CC[N@@H+](CCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1)C(C)C ZINC001596334984 983779082 /nfs/dbraw/zinc/77/90/82/983779082.db2.gz FBPCNNHDRYKEEA-UHFFFAOYSA-N 0 1 390.509 3.289 20 0 GGADMN CC[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C(C)(C)C(=O)[O-] ZINC001596350600 983804141 /nfs/dbraw/zinc/80/41/41/983804141.db2.gz GYVYKWVWMYJRHS-NSHDSACASA-N 0 1 376.526 3.126 20 0 GGADMN CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596351061 983805647 /nfs/dbraw/zinc/80/56/47/983805647.db2.gz VBOFIZRFURAZHB-HXUWFJFHSA-N 0 1 384.524 3.071 20 0 GGADMN CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596351059 983806279 /nfs/dbraw/zinc/80/62/79/983806279.db2.gz VBOFIZRFURAZHB-FQEVSTJZSA-N 0 1 384.524 3.071 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N2CC(=O)Nc3cc(C(=O)[O-])ccc32)cc1)C(C)C ZINC001596356726 983826597 /nfs/dbraw/zinc/82/65/97/983826597.db2.gz ZFBORGOYLNASEB-UHFFFAOYSA-N 0 1 395.459 3.214 20 0 GGADMN CC[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC001596359595 983835559 /nfs/dbraw/zinc/83/55/59/983835559.db2.gz KVVMINCDJSRGHX-FQEVSTJZSA-N 0 1 378.472 3.430 20 0 GGADMN CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596362762 983842838 /nfs/dbraw/zinc/84/28/38/983842838.db2.gz OAEBCDVYLKRGNV-AWEZNQCLSA-N 0 1 384.432 3.271 20 0 GGADMN CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596362762 983842846 /nfs/dbraw/zinc/84/28/46/983842846.db2.gz OAEBCDVYLKRGNV-AWEZNQCLSA-N 0 1 384.432 3.271 20 0 GGADMN CCN(Cc1noc(CCCC(=O)[O-])n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596380441 983901237 /nfs/dbraw/zinc/90/12/37/983901237.db2.gz HXZXKPIXLJLLKZ-AEFFLSMTSA-N 0 1 386.496 3.134 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)[C@@H](C)C1 ZINC001596402857 983957903 /nfs/dbraw/zinc/95/79/03/983957903.db2.gz BDYHPHDJIKVYJO-YOEHRIQHSA-N 0 1 377.485 3.366 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)[C@H](C)C1 ZINC001596404171 983972120 /nfs/dbraw/zinc/97/21/20/983972120.db2.gz SBDUATUCSQGHLL-IUODEOHRSA-N 0 1 399.438 3.223 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(C(=O)[O-])cc2Br)[C@H](C)C1 ZINC001596407177 983976179 /nfs/dbraw/zinc/97/61/79/983976179.db2.gz AEHZJCPUDUTJNT-MLGOLLRUSA-N 0 1 399.329 3.318 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001596414858 984012284 /nfs/dbraw/zinc/01/22/84/984012284.db2.gz CVLHSPHDXSZYDO-CABCVRRESA-N 0 1 375.469 3.263 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001596415772 984027017 /nfs/dbraw/zinc/02/70/17/984027017.db2.gz POEYVGBAPCHUFE-KGLIPLIRSA-N 0 1 397.422 3.119 20 0 GGADMN CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)C1 ZINC001596416010 984032695 /nfs/dbraw/zinc/03/26/95/984032695.db2.gz UVSNWUWUQCHADH-LBPRGKRZSA-N 0 1 398.301 3.309 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccncc1 ZINC001596418747 984045685 /nfs/dbraw/zinc/04/56/85/984045685.db2.gz SVHLQLQIKMWZJL-SFHVURJKSA-N 0 1 382.508 3.472 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NCc3cc(C(=O)[O-])c4n3CCCC4)cc2)CC1 ZINC001596436391 984119274 /nfs/dbraw/zinc/11/92/74/984119274.db2.gz OZKAPOSYRUMCFJ-UHFFFAOYSA-N 0 1 396.535 3.272 20 0 GGADMN CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3S[C@H](C)C(=O)[O-])sc2C1 ZINC001596445093 984147342 /nfs/dbraw/zinc/14/73/42/984147342.db2.gz ZUAAGPSFJCQDHU-LLVKDONJSA-N 0 1 391.518 3.339 20 0 GGADMN CC[N@H+]1CCc2nc(NC(=O)c3ccccc3S[C@H](C)C(=O)[O-])sc2C1 ZINC001596445093 984147344 /nfs/dbraw/zinc/14/73/44/984147344.db2.gz ZUAAGPSFJCQDHU-LLVKDONJSA-N 0 1 391.518 3.339 20 0 GGADMN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596457137 984166911 /nfs/dbraw/zinc/16/69/11/984166911.db2.gz OICLZRBKOCYJDP-KRWDZBQOSA-N 0 1 387.505 3.389 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001596551892 984414494 /nfs/dbraw/zinc/41/44/94/984414494.db2.gz KVNDQHIRUAXDSQ-UKSYNSBOSA-N 0 1 375.465 3.074 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001596553153 984420976 /nfs/dbraw/zinc/42/09/76/984420976.db2.gz UDYGRIXKQOYSKC-INIZCTEOSA-N 0 1 388.258 3.152 20 0 GGADMN CCOC(=O)C1([N@H+](C)CCOc2ccc(/C=C/C(=O)[O-])cc2)CCCCC1 ZINC001596559989 984434572 /nfs/dbraw/zinc/43/45/72/984434572.db2.gz KGABZPVOHZTQEV-FMIVXFBMSA-N 0 1 375.465 3.361 20 0 GGADMN CCOC(=O)C1([N@@H+](C)CCOc2ccc(/C=C/C(=O)[O-])cc2)CCCCC1 ZINC001596559989 984434573 /nfs/dbraw/zinc/43/45/73/984434573.db2.gz KGABZPVOHZTQEV-FMIVXFBMSA-N 0 1 375.465 3.361 20 0 GGADMN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001596560319 984436072 /nfs/dbraw/zinc/43/60/72/984436072.db2.gz NGLZNFACRICJSB-JOCHJYFZSA-N 0 1 384.476 3.416 20 0 GGADMN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(C(=O)[O-])c(CC)[nH]1 ZINC001596560319 984436073 /nfs/dbraw/zinc/43/60/73/984436073.db2.gz NGLZNFACRICJSB-JOCHJYFZSA-N 0 1 384.476 3.416 20 0 GGADMN CCOC(=O)CC(C)(C)C[NH+]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001596587533 984521797 /nfs/dbraw/zinc/52/17/97/984521797.db2.gz HKZUSDKTSJEUOI-SFHVURJKSA-N 0 1 396.915 3.063 20 0 GGADMN CCOC(=O)CCC[N@@H+](C(C)C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001596603836 984566768 /nfs/dbraw/zinc/56/67/68/984566768.db2.gz ROYPBAPMWMBTPK-CYBMUJFWSA-N 0 1 384.498 3.135 20 0 GGADMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001596615767 984581676 /nfs/dbraw/zinc/58/16/76/984581676.db2.gz DFVUHDPRSPZURJ-CHWSQXEVSA-N 0 1 377.462 3.142 20 0 GGADMN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001596617214 984588008 /nfs/dbraw/zinc/58/80/08/984588008.db2.gz MMQLNUDYWWZQHU-GDBMZVCRSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)N1CCC(C)(C[N@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CC1 ZINC001596643938 984646993 /nfs/dbraw/zinc/64/69/93/984646993.db2.gz CRSSTMYMXWIIPM-UHFFFAOYSA-N 0 1 399.491 3.483 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599891255 984696755 /nfs/dbraw/zinc/69/67/55/984696755.db2.gz PJGWJPSGJXMRON-DUXKGJEZSA-N 0 1 395.503 3.017 20 0 GGADMN C/C(=C\C[N@@H+](Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588958647 984714757 /nfs/dbraw/zinc/71/47/57/984714757.db2.gz PFOCJNOLCZCLMH-LZYBPNLTSA-N 0 1 389.496 3.314 20 0 GGADMN C/C(=C\C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959405 984723398 /nfs/dbraw/zinc/72/33/98/984723398.db2.gz YJQSTHRIQKMILQ-BYDLAGSTSA-N 0 1 380.407 3.042 20 0 GGADMN C/C(=C\C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959413 984724206 /nfs/dbraw/zinc/72/42/06/984724206.db2.gz YJQSTHRIQKMILQ-NRBOULDASA-N 0 1 380.407 3.042 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](C(=O)[O-])C[C@H]3C)cc(=O)oc2c1 ZINC001596667305 984734304 /nfs/dbraw/zinc/73/43/04/984734304.db2.gz WQTYGAOOOWAKPL-CHWSQXEVSA-N 0 1 388.420 3.047 20 0 GGADMN C/C(=C\C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588961161 984734877 /nfs/dbraw/zinc/73/48/77/984734877.db2.gz JKLANJQWWPKQIG-JQDBKHDNSA-N 0 1 378.444 3.149 20 0 GGADMN CCOC(=O)[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C[C@H]1C(F)(F)F ZINC001596683066 984772688 /nfs/dbraw/zinc/77/26/88/984772688.db2.gz FFOKJMDIHGCJKX-NQBHXWOUSA-N 0 1 379.762 3.139 20 0 GGADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC001596690972 984799330 /nfs/dbraw/zinc/79/93/30/984799330.db2.gz AWSHNCHROJKUQF-OAHLLOKOSA-N 0 1 388.464 3.109 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1C ZINC001596692305 984813106 /nfs/dbraw/zinc/81/31/06/984813106.db2.gz UAHRROHTHPISQZ-CQSZACIVSA-N 0 1 399.491 3.217 20 0 GGADMN CCOC(=O)c1cc(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)[nH]c1C ZINC001596704025 984898987 /nfs/dbraw/zinc/89/89/87/984898987.db2.gz NCZKIZXSADAEGV-MRXNPFEDSA-N 0 1 384.354 3.175 20 0 GGADMN CCOC(=O)c1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)[nH]c1C ZINC001596704025 984899000 /nfs/dbraw/zinc/89/90/00/984899000.db2.gz NCZKIZXSADAEGV-MRXNPFEDSA-N 0 1 384.354 3.175 20 0 GGADMN CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)[nH]c1C ZINC001596704185 984901979 /nfs/dbraw/zinc/90/19/79/984901979.db2.gz VOHFLUVAQFGJPS-GFCCVEGCSA-N 0 1 377.466 3.034 20 0 GGADMN CCOC(=O)c1cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC001596704243 984902767 /nfs/dbraw/zinc/90/27/67/984902767.db2.gz XWUVLJNSQBAYSK-AWEZNQCLSA-N 0 1 386.235 3.151 20 0 GGADMN CCOC(=O)c1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC001596704243 984902771 /nfs/dbraw/zinc/90/27/71/984902771.db2.gz XWUVLJNSQBAYSK-AWEZNQCLSA-N 0 1 386.235 3.151 20 0 GGADMN C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001589004134 984961883 /nfs/dbraw/zinc/96/18/83/984961883.db2.gz YIPPYLKBQNQNKH-NYXAKURHSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001589004134 984961886 /nfs/dbraw/zinc/96/18/86/984961886.db2.gz YIPPYLKBQNQNKH-NYXAKURHSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001589004135 984962195 /nfs/dbraw/zinc/96/21/95/984962195.db2.gz YIPPYLKBQNQNKH-RKCQOLGWSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001589004135 984962200 /nfs/dbraw/zinc/96/22/00/984962200.db2.gz YIPPYLKBQNQNKH-RKCQOLGWSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001589004136 984962289 /nfs/dbraw/zinc/96/22/89/984962289.db2.gz YIPPYLKBQNQNKH-ZIBIDDQLSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001589004136 984962292 /nfs/dbraw/zinc/96/22/92/984962292.db2.gz YIPPYLKBQNQNKH-ZIBIDDQLSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001589004133 984962308 /nfs/dbraw/zinc/96/23/08/984962308.db2.gz YIPPYLKBQNQNKH-GUOCTKQSSA-N 0 1 378.472 3.060 20 0 GGADMN C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001589004133 984962310 /nfs/dbraw/zinc/96/23/10/984962310.db2.gz YIPPYLKBQNQNKH-GUOCTKQSSA-N 0 1 378.472 3.060 20 0 GGADMN CCOC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001596730269 984993872 /nfs/dbraw/zinc/99/38/72/984993872.db2.gz BWGVYLXLQKWLHZ-MRXNPFEDSA-N 0 1 398.459 3.025 20 0 GGADMN CCOC(=O)c1csc(C2CCN(c3ccc(C(=O)[O-])c(C)[nH+]3)CC2)n1 ZINC001596746641 985066956 /nfs/dbraw/zinc/06/69/56/985066956.db2.gz IBDQRMAZVQDJCI-UHFFFAOYSA-N 0 1 375.450 3.105 20 0 GGADMN CCOC(=O)c1sc(C2CC[NH+](Cc3cc(C(=O)[O-])c(C)[nH]3)CC2)nc1C ZINC001596755565 985128499 /nfs/dbraw/zinc/12/84/99/985128499.db2.gz AOIWFJOMYCHLBS-UHFFFAOYSA-N 0 1 391.493 3.343 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])oc3C)C2)nc1C ZINC001596755561 985128715 /nfs/dbraw/zinc/12/87/15/985128715.db2.gz AKAYTGSKZKVTTC-LBPRGKRZSA-N 0 1 378.450 3.217 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])oc3C)C2)nc1C ZINC001596755560 985128884 /nfs/dbraw/zinc/12/88/84/985128884.db2.gz AKAYTGSKZKVTTC-GFCCVEGCSA-N 0 1 378.450 3.217 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@@H]3C(=O)[O-])C2)nc1C ZINC001596756654 985137006 /nfs/dbraw/zinc/13/70/06/985137006.db2.gz XTXYNJUDKAVZGM-ZNMIVQPWSA-N 0 1 380.510 3.309 20 0 GGADMN CC(=O)N(c1nc(C[NH2+]C2CC(C(=O)[O-])C2)cs1)c1cccc(Cl)c1 ZINC001589051300 985137731 /nfs/dbraw/zinc/13/77/31/985137731.db2.gz DVJFCIQWFHWKIP-UHFFFAOYSA-N 0 1 379.869 3.434 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1)C1CC1 ZINC001589053582 985147316 /nfs/dbraw/zinc/14/73/16/985147316.db2.gz BCVPLRSLFYJTKL-ULQDDVLXSA-N 0 1 377.510 3.124 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001589053542 985147461 /nfs/dbraw/zinc/14/74/61/985147461.db2.gz AVYKQSYYKZYBFJ-IINYFYTJSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001589053542 985147470 /nfs/dbraw/zinc/14/74/70/985147470.db2.gz AVYKQSYYKZYBFJ-IINYFYTJSA-N 0 1 395.431 3.401 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1)C1CC1 ZINC001589053575 985147502 /nfs/dbraw/zinc/14/75/02/985147502.db2.gz BCVPLRSLFYJTKL-IKGGRYGDSA-N 0 1 377.510 3.124 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1)C1CC1 ZINC001589053579 985147742 /nfs/dbraw/zinc/14/77/42/985147742.db2.gz BCVPLRSLFYJTKL-IXDOHACOSA-N 0 1 377.510 3.124 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cs1)c1ccccc1F ZINC001589054010 985150302 /nfs/dbraw/zinc/15/03/02/985150302.db2.gz GGOFIVNDWDLNLN-RISCZKNCSA-N 0 1 377.441 3.262 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cs1)c1ccccc1F ZINC001589054010 985150307 /nfs/dbraw/zinc/15/03/07/985150307.db2.gz GGOFIVNDWDLNLN-RISCZKNCSA-N 0 1 377.441 3.262 20 0 GGADMN CCOC(=O)c1sc2cccc(F)c2c1C[N@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001596761327 985151558 /nfs/dbraw/zinc/15/15/58/985151558.db2.gz QOPBIDIPNWVQAA-FZMZJTMJSA-N 0 1 395.452 3.281 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H](C(=O)[O-])O1 ZINC001599923031 985164112 /nfs/dbraw/zinc/16/41/12/985164112.db2.gz PICRISUZSXGMEJ-KXBFYZLASA-N 0 1 389.496 3.157 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])C[C@H](C)[N@H+]1C ZINC001599925149 985189899 /nfs/dbraw/zinc/18/98/99/985189899.db2.gz FTSMXIGRBNSBIO-OKILXGFUSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])C[C@H](C)[N@@H+]1C ZINC001599925149 985189901 /nfs/dbraw/zinc/18/99/01/985189901.db2.gz FTSMXIGRBNSBIO-OKILXGFUSA-N 0 1 388.489 3.435 20 0 GGADMN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001589072982 985223311 /nfs/dbraw/zinc/22/33/11/985223311.db2.gz VJKGJXRMXVOKTR-CJNGLKHVSA-N 0 1 379.526 3.405 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC[C@H]1C(=O)[O-] ZINC001599927795 985237865 /nfs/dbraw/zinc/23/78/65/985237865.db2.gz HXXKEGZHYHKZGH-QMIHWGKISA-N 0 1 376.472 3.216 20 0 GGADMN CC(=O)N1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CC12CCCCC2 ZINC001589081029 985246662 /nfs/dbraw/zinc/24/66/62/985246662.db2.gz GDJLWYMEURVXLH-YFHOEESVSA-N 0 1 386.492 3.030 20 0 GGADMN C[C@@H]1CN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C[C@H](C)[N@@H+]1C ZINC001599932465 985339304 /nfs/dbraw/zinc/33/93/04/985339304.db2.gz YHFQJYAASJAQRV-PHIMTYICSA-N 0 1 378.270 3.224 20 0 GGADMN C[C@H]1C[C@@H](O)C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001599933691 985358311 /nfs/dbraw/zinc/35/83/11/985358311.db2.gz LYUFGXQDUOONII-GXFFZTMASA-N 0 1 384.263 3.080 20 0 GGADMN C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001599938663 985427823 /nfs/dbraw/zinc/42/78/23/985427823.db2.gz OKDWIUZTHZBUOR-TXTKFYIRSA-N 0 1 398.478 3.005 20 0 GGADMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC001589133392 985430292 /nfs/dbraw/zinc/43/02/92/985430292.db2.gz OVZQTECKIYXPHU-CYBMUJFWSA-N 0 1 378.469 3.477 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001589139906 985448221 /nfs/dbraw/zinc/44/82/21/985448221.db2.gz NJSOOMUJRBPQQV-HNNXBMFYSA-N 0 1 390.505 3.047 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)Cc1ccc(C)s1 ZINC001589140022 985449559 /nfs/dbraw/zinc/44/95/59/985449559.db2.gz SSTOPDWTGQIJDL-UHFFFAOYSA-N 0 1 377.510 3.345 20 0 GGADMN CC(=O)NCC[N@H+](Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)Cc1ccc(C)s1 ZINC001589140022 985449562 /nfs/dbraw/zinc/44/95/62/985449562.db2.gz SSTOPDWTGQIJDL-UHFFFAOYSA-N 0 1 377.510 3.345 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001589140048 985450551 /nfs/dbraw/zinc/45/05/51/985450551.db2.gz UZWNXIFEWIPMLA-UHFFFAOYSA-N 0 1 385.489 3.374 20 0 GGADMN CCO[C@@H]1C[C@]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)(C(=O)[O-])C1(C)C ZINC001596834458 985479430 /nfs/dbraw/zinc/47/94/30/985479430.db2.gz ZUIGJXFHQYWQHV-IERDGZPVSA-N 0 1 376.497 3.171 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594474968 985484293 /nfs/dbraw/zinc/48/42/93/985484293.db2.gz HYLJQFZYWMGTKY-CABCVRRESA-N 0 1 387.505 3.251 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594474970 985484469 /nfs/dbraw/zinc/48/44/69/985484469.db2.gz HYLJQFZYWMGTKY-GJZGRUSLSA-N 0 1 387.505 3.251 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c(C)c1C(=O)[O-] ZINC001599943585 985486671 /nfs/dbraw/zinc/48/66/71/985486671.db2.gz DUBNTRVSQICIMS-SFHVURJKSA-N 0 1 384.476 3.176 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943982 985492121 /nfs/dbraw/zinc/49/21/21/985492121.db2.gz MYXWPLFPFIXEEO-GOEBONIOSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943982 985492125 /nfs/dbraw/zinc/49/21/25/985492125.db2.gz MYXWPLFPFIXEEO-GOEBONIOSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1C(=O)[O-] ZINC001599944109 985494157 /nfs/dbraw/zinc/49/41/57/985494157.db2.gz BAMDIUQQQFSRDH-GFCCVEGCSA-N 0 1 398.385 3.065 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1C(=O)[O-] ZINC001599944109 985494161 /nfs/dbraw/zinc/49/41/61/985494161.db2.gz BAMDIUQQQFSRDH-GFCCVEGCSA-N 0 1 398.385 3.065 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C)c1C(=O)[O-] ZINC001599944228 985496877 /nfs/dbraw/zinc/49/68/77/985496877.db2.gz HOOCEQFWEBHKNJ-HNNXBMFYSA-N 0 1 399.495 3.253 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C)c1C(=O)[O-] ZINC001599944228 985496883 /nfs/dbraw/zinc/49/68/83/985496883.db2.gz HOOCEQFWEBHKNJ-HNNXBMFYSA-N 0 1 399.495 3.253 20 0 GGADMN CCO[C@H]1C[C@]([NH2+]Cc2nc3ccc(Br)cc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838498 985506796 /nfs/dbraw/zinc/50/67/96/985506796.db2.gz SRGGSISYZZKDOT-GUYCJALGSA-N 0 1 396.285 3.073 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1C(=O)[O-] ZINC001599944906 985508638 /nfs/dbraw/zinc/50/86/38/985508638.db2.gz LRFMNGVLNYEUGM-KBMXLJTQSA-N 0 1 375.513 3.144 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC001594479045 985511037 /nfs/dbraw/zinc/51/10/37/985511037.db2.gz GKAGEHPINIWXOT-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594479045 985511040 /nfs/dbraw/zinc/51/10/40/985511040.db2.gz GKAGEHPINIWXOT-QGZVFWFLSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594479560 985517851 /nfs/dbraw/zinc/51/78/51/985517851.db2.gz LSQQIQKVMAUGPY-IAGOWNOFSA-N 0 1 397.475 3.277 20 0 GGADMN Cc1[nH]c(C(=O)C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c(C)c1C(=O)[O-] ZINC001599946066 985529753 /nfs/dbraw/zinc/52/97/53/985529753.db2.gz UYSUVGZQELLNRJ-UHFFFAOYSA-N 0 1 392.459 3.335 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1F)C(=O)[O-] ZINC001594481679 985530285 /nfs/dbraw/zinc/53/02/85/985530285.db2.gz YPVIDEJKQQDAPP-UONOGXRCSA-N 0 1 393.459 3.016 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1F)C(=O)[O-] ZINC001594481680 985530672 /nfs/dbraw/zinc/53/06/72/985530672.db2.gz YPVIDEJKQQDAPP-ZIAGYGMSSA-N 0 1 393.459 3.016 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC001599946270 985532931 /nfs/dbraw/zinc/53/29/31/985532931.db2.gz BZOVRRWVACRCJG-HUUCEWRRSA-N 0 1 397.519 3.259 20 0 GGADMN Cc1[nH]c(C(=O)CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c(C)c1C(=O)[O-] ZINC001599946427 985535943 /nfs/dbraw/zinc/53/59/43/985535943.db2.gz YPKIBIDQEPWYBZ-LJQANCHMSA-N 0 1 397.519 3.355 20 0 GGADMN Cc1[nH]c(C(=O)CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c(C)c1C(=O)[O-] ZINC001599946426 985536291 /nfs/dbraw/zinc/53/62/91/985536291.db2.gz YPKIBIDQEPWYBZ-IBGZPJMESA-N 0 1 397.519 3.355 20 0 GGADMN CC(=O)Nc1cc(Cl)c(NC(=O)NCCC[N@H+](C)CC(C)C)cc1C(=O)[O-] ZINC001589173358 985537671 /nfs/dbraw/zinc/53/76/71/985537671.db2.gz JSCLFEBOGFQHHC-UHFFFAOYSA-N 0 1 398.891 3.096 20 0 GGADMN Cc1[nH]c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001599951772 985619619 /nfs/dbraw/zinc/61/96/19/985619619.db2.gz ABBKUZNAUNBSSS-BDQBCWGISA-N 0 1 383.492 3.216 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594493886 985621471 /nfs/dbraw/zinc/62/14/71/985621471.db2.gz IHODZSMGZOANIS-HNNXBMFYSA-N 0 1 386.423 3.239 20 0 GGADMN Cc1[nH]c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c(C)c1C(=O)[O-] ZINC001599952573 985634309 /nfs/dbraw/zinc/63/43/09/985634309.db2.gz IAFSUZNJBFFNLU-MRXNPFEDSA-N 0 1 381.432 3.184 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cc(=O)oc2c1 ZINC001589204199 985658654 /nfs/dbraw/zinc/65/86/54/985658654.db2.gz NGIWHBMEFGUYII-QYZOEREBSA-N 0 1 398.459 3.217 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001599955748 985686453 /nfs/dbraw/zinc/68/64/53/985686453.db2.gz RZYRIQHUANZJAH-GOSISDBHSA-N 0 1 395.503 3.362 20 0 GGADMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594504936 985704371 /nfs/dbraw/zinc/70/43/71/985704371.db2.gz CASZIKSHIDSGLG-BFUOFWGJSA-N 0 1 396.447 3.176 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001599957241 985709524 /nfs/dbraw/zinc/70/95/24/985709524.db2.gz KEGDOCWSFBGTGM-MAUKXSAKSA-N 0 1 383.492 3.189 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001599957240 985710111 /nfs/dbraw/zinc/71/01/11/985710111.db2.gz KEGDOCWSFBGTGM-CRAIPNDOSA-N 0 1 383.492 3.189 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC001599959666 985757645 /nfs/dbraw/zinc/75/76/45/985757645.db2.gz COMOAWAPSBUSLN-CYBMUJFWSA-N 0 1 393.237 3.080 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC001599959668 985757737 /nfs/dbraw/zinc/75/77/37/985757737.db2.gz COMOAWAPSBUSLN-ZDUSSCGKSA-N 0 1 393.237 3.080 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001599961158 985784318 /nfs/dbraw/zinc/78/43/18/985784318.db2.gz QHLHLKKQFXBDJQ-MRVPVSSYSA-N 0 1 383.217 3.456 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001594513305 985794975 /nfs/dbraw/zinc/79/49/75/985794975.db2.gz IULKPNYCCFBDCU-MRXNPFEDSA-N 0 1 392.927 3.450 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001594513662 985801492 /nfs/dbraw/zinc/80/14/92/985801492.db2.gz MYBCZNKIAKPBHW-KRWDZBQOSA-N 0 1 390.499 3.326 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001594513663 985801642 /nfs/dbraw/zinc/80/16/42/985801642.db2.gz MYBCZNKIAKPBHW-QGZVFWFLSA-N 0 1 390.499 3.326 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2cccc(F)c2)CCCCC1 ZINC001594513915 985813656 /nfs/dbraw/zinc/81/36/56/985813656.db2.gz RKHWTECXPYAQEM-INIZCTEOSA-N 0 1 376.472 3.035 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001599962420 985815680 /nfs/dbraw/zinc/81/56/80/985815680.db2.gz HNSAIOAEYACEMU-UHFFFAOYSA-N 0 1 375.856 3.023 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001599962420 985815695 /nfs/dbraw/zinc/81/56/95/985815695.db2.gz HNSAIOAEYACEMU-UHFFFAOYSA-N 0 1 375.856 3.023 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599962772 985824421 /nfs/dbraw/zinc/82/44/21/985824421.db2.gz KWFZZUBIZHSRDD-PBHICJAKSA-N 0 1 377.485 3.244 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001599962772 985824438 /nfs/dbraw/zinc/82/44/38/985824438.db2.gz KWFZZUBIZHSRDD-PBHICJAKSA-N 0 1 377.485 3.244 20 0 GGADMN Cc1[nH]c(C[NH+]2CCN(c3ccc(Br)cc3)CC2)cc1C(=O)[O-] ZINC001599962782 985824767 /nfs/dbraw/zinc/82/47/67/985824767.db2.gz KXVXVRIRZYEALV-UHFFFAOYSA-N 0 1 378.270 3.106 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001594514378 985835187 /nfs/dbraw/zinc/83/51/87/985835187.db2.gz GPPYCRDPQHWCME-DENIHFKCSA-N 0 1 394.515 3.410 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001594514379 985835832 /nfs/dbraw/zinc/83/58/32/985835832.db2.gz GPPYCRDPQHWCME-KNQAVFIVSA-N 0 1 394.515 3.410 20 0 GGADMN Cc1[nH]c(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1C(=O)[O-] ZINC001599963190 985836916 /nfs/dbraw/zinc/83/69/16/985836916.db2.gz OFRMCBNIPFDHPB-UHFFFAOYSA-N 0 1 381.398 3.358 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC001594514820 985854345 /nfs/dbraw/zinc/85/43/45/985854345.db2.gz JKFWNEGGWIMHJZ-LLVKDONJSA-N 0 1 391.320 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001594515373 985870842 /nfs/dbraw/zinc/87/08/42/985870842.db2.gz HLUPSCWWFIFYNS-NQIIRXRSSA-N 0 1 395.503 3.161 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001594515521 985877318 /nfs/dbraw/zinc/87/73/18/985877318.db2.gz IOSWPMZDSUAMJO-NSHDSACASA-N 0 1 399.274 3.290 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001594515619 985879789 /nfs/dbraw/zinc/87/97/89/985879789.db2.gz IYYHOOXSGBCNAS-CRAIPNDOSA-N 0 1 393.503 3.493 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001594515620 985881392 /nfs/dbraw/zinc/88/13/92/985881392.db2.gz IYYHOOXSGBCNAS-MAUKXSAKSA-N 0 1 393.503 3.493 20 0 GGADMN CCOCCC[N@@H+](C[C@H](C)C(=O)[O-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001596911896 985914414 /nfs/dbraw/zinc/91/44/14/985914414.db2.gz NCXSMWURMCVHKR-IRXDYDNUSA-N 0 1 386.533 3.083 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC001594516891 985917804 /nfs/dbraw/zinc/91/78/04/985917804.db2.gz WANQQEFYAALDNV-SCLBCKFNSA-N 0 1 397.466 3.242 20 0 GGADMN CCOCCC[N@@H+](C[C@H](C)C(=O)[O-])C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001596912492 985918477 /nfs/dbraw/zinc/91/84/77/985918477.db2.gz SYSXHCAMDXZTRQ-JXFKEZNVSA-N 0 1 386.533 3.083 20 0 GGADMN CCOCCC[N@@H+](C[C@@H](C)C(=O)[O-])C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001596912495 985920305 /nfs/dbraw/zinc/92/03/05/985920305.db2.gz SYSXHCAMDXZTRQ-UZLBHIALSA-N 0 1 386.533 3.083 20 0 GGADMN CCOCCC[N@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@H](C)C(=O)[O-] ZINC001596914773 985932665 /nfs/dbraw/zinc/93/26/65/985932665.db2.gz JFBXSSYFYJLHPU-ZDUSSCGKSA-N 0 1 391.434 3.188 20 0 GGADMN CCOCCC[N@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)C[C@@H](C)C(=O)[O-] ZINC001596914772 985933717 /nfs/dbraw/zinc/93/37/17/985933717.db2.gz JFBXSSYFYJLHPU-CYBMUJFWSA-N 0 1 391.434 3.188 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)[C@H](C)C1 ZINC001596916638 985947664 /nfs/dbraw/zinc/94/76/64/985947664.db2.gz HCAFCOQLDUWMIL-CZUORRHYSA-N 0 1 395.475 3.091 20 0 GGADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001594519551 985959596 /nfs/dbraw/zinc/95/95/96/985959596.db2.gz ZFIRMGZGIXANQY-MSOLQXFVSA-N 0 1 396.487 3.128 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC001594519645 985965174 /nfs/dbraw/zinc/96/51/74/985965174.db2.gz BRASVBLDZJJYDM-CYBMUJFWSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC001594519645 985965186 /nfs/dbraw/zinc/96/51/86/985965186.db2.gz BRASVBLDZJJYDM-CYBMUJFWSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC001594522739 986013169 /nfs/dbraw/zinc/01/31/69/986013169.db2.gz WBGAOMIONPTUFS-JTQLQIEISA-N 0 1 384.860 3.315 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC001594522739 986013182 /nfs/dbraw/zinc/01/31/82/986013182.db2.gz WBGAOMIONPTUFS-JTQLQIEISA-N 0 1 384.860 3.315 20 0 GGADMN Cc1c(Br)cncc1C[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001599972990 986040297 /nfs/dbraw/zinc/04/02/97/986040297.db2.gz DOJOVVLWILMKJN-UHFFFAOYSA-N 0 1 380.242 3.218 20 0 GGADMN C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC001594527043 986065715 /nfs/dbraw/zinc/06/57/15/986065715.db2.gz AGFQAFPLZVOJLA-BETUJISGSA-N 0 1 391.493 3.220 20 0 GGADMN C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCO1 ZINC001594527339 986072165 /nfs/dbraw/zinc/07/21/65/986072165.db2.gz DFPGZNOURUMPQM-OAHLLOKOSA-N 0 1 385.464 3.160 20 0 GGADMN C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCO1 ZINC001594527423 986075801 /nfs/dbraw/zinc/07/58/01/986075801.db2.gz GKIYREGWOLOLID-CYBMUJFWSA-N 0 1 391.493 3.222 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1 ZINC001589309165 986077466 /nfs/dbraw/zinc/07/74/66/986077466.db2.gz HMBQRHSDZLRJIK-BFUOFWGJSA-N 0 1 394.427 3.248 20 0 GGADMN CCOCN(C(=O)C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1c(C)cccc1CC ZINC001596945915 986089773 /nfs/dbraw/zinc/08/97/73/986089773.db2.gz UFRRWCQAQKABIC-GCJKJVERSA-N 0 1 388.508 3.214 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC001594530820 986114506 /nfs/dbraw/zinc/11/45/06/986114506.db2.gz DJFNHWAFXQCHBP-CVEARBPZSA-N 0 1 392.496 3.246 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC001594535807 986149208 /nfs/dbraw/zinc/14/92/08/986149208.db2.gz AZOAOIRAQONAPE-JXXFODFXSA-N 0 1 383.444 3.279 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001594536467 986152831 /nfs/dbraw/zinc/15/28/31/986152831.db2.gz DCEVJFUFUMOOAD-IYBDPMFKSA-N 0 1 397.475 3.316 20 0 GGADMN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589324158 986154388 /nfs/dbraw/zinc/15/43/88/986154388.db2.gz WMKHQFPWVRUXRM-FFUDGTDTSA-N 0 1 384.432 3.292 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC001594537818 986164217 /nfs/dbraw/zinc/16/42/17/986164217.db2.gz KJZIZNHUKJOTCU-OHDICMOHSA-N 0 1 375.465 3.096 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538981 986169181 /nfs/dbraw/zinc/16/91/81/986169181.db2.gz QEHKJLMAIUXCTA-FVJLSDCUSA-N 0 1 397.471 3.149 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538981 986169187 /nfs/dbraw/zinc/16/91/87/986169187.db2.gz QEHKJLMAIUXCTA-FVJLSDCUSA-N 0 1 397.471 3.149 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2)C[C@@H](C)O1 ZINC001594542132 986178533 /nfs/dbraw/zinc/17/85/33/986178533.db2.gz DHRTXKZKCNVPGS-HZPDHXFCSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2)C[C@H](C)O1 ZINC001594542158 986179392 /nfs/dbraw/zinc/17/93/92/986179392.db2.gz DZKQZRBGABUDRR-MBWAJUJLSA-N 0 1 386.492 3.269 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2)C[C@H](C)O1 ZINC001594542158 986179397 /nfs/dbraw/zinc/17/93/97/986179397.db2.gz DZKQZRBGABUDRR-MBWAJUJLSA-N 0 1 386.492 3.269 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594542202 986179526 /nfs/dbraw/zinc/17/95/26/986179526.db2.gz GHURTNJRJVQYST-GOEBONIOSA-N 0 1 387.505 3.014 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001594542457 986185274 /nfs/dbraw/zinc/18/52/74/986185274.db2.gz NXCDLFQBZAQYIH-FUHWJXTLSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001594542458 986185325 /nfs/dbraw/zinc/18/53/25/986185325.db2.gz NXCDLFQBZAQYIH-SJLPKXTDSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542711 986188443 /nfs/dbraw/zinc/18/84/43/986188443.db2.gz RYYBGXCFXJWEGY-JXFKEZNVSA-N 0 1 381.476 3.047 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542712 986188556 /nfs/dbraw/zinc/18/85/56/986188556.db2.gz RYYBGXCFXJWEGY-OXJNMPFZSA-N 0 1 381.476 3.047 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594542972 986192780 /nfs/dbraw/zinc/19/27/80/986192780.db2.gz WVQPOVVJANPFGZ-VQIMIIECSA-N 0 1 381.476 3.203 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543206 986193927 /nfs/dbraw/zinc/19/39/27/986193927.db2.gz ZJBGEWUTUIHQHN-HNAYVOBHSA-N 0 1 396.491 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543204 986194077 /nfs/dbraw/zinc/19/40/77/986194077.db2.gz ZJBGEWUTUIHQHN-BEFAXECRSA-N 0 1 396.491 3.093 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594543207 986194140 /nfs/dbraw/zinc/19/41/40/986194140.db2.gz ZJBGEWUTUIHQHN-KXBFYZLASA-N 0 1 396.491 3.093 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543914 986195660 /nfs/dbraw/zinc/19/56/60/986195660.db2.gz CPTRPAKDJYVSJX-ODOSVJCGSA-N 0 1 398.478 3.317 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543905 986195868 /nfs/dbraw/zinc/19/58/68/986195868.db2.gz CPTRPAKDJYVSJX-FRGLQRNOSA-N 0 1 398.478 3.317 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001594543852 986196322 /nfs/dbraw/zinc/19/63/22/986196322.db2.gz BVVFKIHZIREXOD-UTKZUKDTSA-N 0 1 395.503 3.024 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544151 986197387 /nfs/dbraw/zinc/19/73/87/986197387.db2.gz DLIBFSAICMBRLH-KKSFZXQISA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544151 986197400 /nfs/dbraw/zinc/19/74/00/986197400.db2.gz DLIBFSAICMBRLH-KKSFZXQISA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3ccsc3C(=O)[O-])C2)O1 ZINC001594544151 986197405 /nfs/dbraw/zinc/19/74/05/986197405.db2.gz DLIBFSAICMBRLH-KKSFZXQISA-N 0 1 386.517 3.312 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594544467 986199019 /nfs/dbraw/zinc/19/90/19/986199019.db2.gz HKMFJCDDSSCGPP-HKUYNNGSSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594545045 986206003 /nfs/dbraw/zinc/20/60/03/986206003.db2.gz ONNGLLPEAGCJGF-QRWLVFNGSA-N 0 1 399.466 3.485 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+]([C@H](C(=O)[O-])c3ccccc3)C2)O1 ZINC001594545468 986210477 /nfs/dbraw/zinc/21/04/77/986210477.db2.gz RYVDOUQQAUTYJJ-RZFNWQHOSA-N 0 1 380.488 3.178 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594545995 986214451 /nfs/dbraw/zinc/21/44/51/986214451.db2.gz XKOSDVJVKXGQIS-ZDXOVATRSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@@H]1CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594548412 986239086 /nfs/dbraw/zinc/23/90/86/986239086.db2.gz ULBACGZACXSVJD-CVEARBPZSA-N 0 1 378.476 3.356 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001589349722 986301951 /nfs/dbraw/zinc/30/19/51/986301951.db2.gz KGEDCYPIYUVYQF-MAUKXSAKSA-N 0 1 383.492 3.059 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC001594567484 986362015 /nfs/dbraw/zinc/36/20/15/986362015.db2.gz FNGUYPMXYLYWRJ-CYBMUJFWSA-N 0 1 390.386 3.417 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001594568610 986372694 /nfs/dbraw/zinc/37/26/94/986372694.db2.gz JWOLBNUBLQGRBM-XYPHTWIQSA-N 0 1 386.414 3.395 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001594568610 986372700 /nfs/dbraw/zinc/37/27/00/986372700.db2.gz JWOLBNUBLQGRBM-XYPHTWIQSA-N 0 1 386.414 3.395 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001594568598 986372728 /nfs/dbraw/zinc/37/27/28/986372728.db2.gz JWOLBNUBLQGRBM-COXVUDFISA-N 0 1 386.414 3.395 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001594568598 986372734 /nfs/dbraw/zinc/37/27/34/986372734.db2.gz JWOLBNUBLQGRBM-COXVUDFISA-N 0 1 386.414 3.395 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001594569639 986381006 /nfs/dbraw/zinc/38/10/06/986381006.db2.gz NGPYZLQCOZQMAF-PGRDOPGGSA-N 0 1 379.504 3.170 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC001594570644 986393541 /nfs/dbraw/zinc/39/35/41/986393541.db2.gz SQNMNGXLENIKTP-YWZLYKJASA-N 0 1 388.895 3.152 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC001594570641 986394498 /nfs/dbraw/zinc/39/44/98/986394498.db2.gz SQNMNGXLENIKTP-MGPUTAFESA-N 0 1 388.895 3.152 20 0 GGADMN C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC001594574916 986408831 /nfs/dbraw/zinc/40/88/31/986408831.db2.gz GNXIBLGOEMQWHT-KRWDZBQOSA-N 0 1 391.471 3.409 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001597021946 986416759 /nfs/dbraw/zinc/41/67/59/986416759.db2.gz NSIPUOJTJPHZNR-AWEZNQCLSA-N 0 1 377.485 3.416 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030409 986444044 /nfs/dbraw/zinc/44/40/44/986444044.db2.gz AKAIFKHRTRVMCC-PBHICJAKSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030412 986444473 /nfs/dbraw/zinc/44/44/73/986444473.db2.gz AKAIFKHRTRVMCC-YOEHRIQHSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031897 986452277 /nfs/dbraw/zinc/45/22/77/986452277.db2.gz OZXZGOIOPWDLTK-MRXNPFEDSA-N 0 1 389.448 3.302 20 0 GGADMN CCOc1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031896 986452681 /nfs/dbraw/zinc/45/26/81/986452681.db2.gz OZXZGOIOPWDLTK-INIZCTEOSA-N 0 1 389.448 3.302 20 0 GGADMN CCOc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032473 986455913 /nfs/dbraw/zinc/45/59/13/986455913.db2.gz VQQSIRXFVFDWPJ-OAQYLSRUSA-N 0 1 387.432 3.320 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@]23CCOC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032473 986455918 /nfs/dbraw/zinc/45/59/18/986455918.db2.gz VQQSIRXFVFDWPJ-OAQYLSRUSA-N 0 1 387.432 3.320 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c(F)cc1OC ZINC001597033030 986459208 /nfs/dbraw/zinc/45/92/08/986459208.db2.gz XGTRXRKAVNBASF-NSHDSACASA-N 0 1 380.441 3.377 20 0 GGADMN CCOc1cc(C[N@@H+](C)CC2CC(O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033191 986460112 /nfs/dbraw/zinc/46/01/12/986460112.db2.gz LDUUEWKWFCCIAC-UHFFFAOYSA-N 0 1 389.448 3.158 20 0 GGADMN C[C@@H]1COCC[N@H+]1C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607224 986575433 /nfs/dbraw/zinc/57/54/33/986575433.db2.gz NPTVOTVCDHLCGV-SJKOYZFVSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@H]1COCC[N@H+]1C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607226 986577365 /nfs/dbraw/zinc/57/73/65/986577365.db2.gz NPTVOTVCDHLCGV-YVEFUNNKSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@H]1COCCN1C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607226 986577374 /nfs/dbraw/zinc/57/73/74/986577374.db2.gz NPTVOTVCDHLCGV-YVEFUNNKSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H]1COCC[N@H+]1C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607774 986586792 /nfs/dbraw/zinc/58/67/92/986586792.db2.gz ZXYUZORUJQKOIQ-PXAZEXFGSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H]1COCCN1C1CC[NH+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001594607774 986586800 /nfs/dbraw/zinc/58/68/00/986586800.db2.gz ZXYUZORUJQKOIQ-PXAZEXFGSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC001589413445 986614922 /nfs/dbraw/zinc/61/49/22/986614922.db2.gz ATPRNAQLSLBECB-OYHNWAKOSA-N 0 1 384.451 3.192 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC001597082026 986629775 /nfs/dbraw/zinc/62/97/75/986629775.db2.gz UZCQEPGSOUUQIN-IBGZPJMESA-N 0 1 376.497 3.182 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001589415118 986640830 /nfs/dbraw/zinc/64/08/30/986640830.db2.gz OCJLNBZCEUKQNS-LZJOCLMNSA-N 0 1 380.488 3.343 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001589415117 986640847 /nfs/dbraw/zinc/64/08/47/986640847.db2.gz OCJLNBZCEUKQNS-FVJLSDCUSA-N 0 1 380.488 3.343 20 0 GGADMN C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001594623430 986675447 /nfs/dbraw/zinc/67/54/47/986675447.db2.gz CBPNLLPTHHYYSY-MRXNPFEDSA-N 0 1 393.487 3.239 20 0 GGADMN CCOc1ccc(CC[N@@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC001597094709 986681692 /nfs/dbraw/zinc/68/16/92/986681692.db2.gz LBAWJCVRAUHHEP-KRWDZBQOSA-N 0 1 388.489 3.125 20 0 GGADMN CCOc1ccc(CC[N@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001597095329 986689220 /nfs/dbraw/zinc/68/92/20/986689220.db2.gz ZXQUDXCOOVWVIH-UHFFFAOYSA-N 0 1 381.432 3.107 20 0 GGADMN CCOc1ccc(CC[N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001597095329 986689222 /nfs/dbraw/zinc/68/92/22/986689222.db2.gz ZXQUDXCOOVWVIH-UHFFFAOYSA-N 0 1 381.432 3.107 20 0 GGADMN C[C@@H]1[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCC12CCOCC2 ZINC001594627934 986701549 /nfs/dbraw/zinc/70/15/49/986701549.db2.gz XQEUTPIAZPUPBC-ZDUSSCGKSA-N 0 1 392.521 3.155 20 0 GGADMN CCOc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c(C)c1 ZINC001597101774 986720785 /nfs/dbraw/zinc/72/07/85/986720785.db2.gz DROOYFGALLLMMK-GOSISDBHSA-N 0 1 392.496 3.290 20 0 GGADMN CCOc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c(C)c1 ZINC001597101775 986721429 /nfs/dbraw/zinc/72/14/29/986721429.db2.gz DROOYFGALLLMMK-SFHVURJKSA-N 0 1 392.496 3.290 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589431085 986723841 /nfs/dbraw/zinc/72/38/41/986723841.db2.gz DJFKOIMUBSCDEI-GDBMZVCRSA-N 0 1 384.480 3.227 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589431803 986733283 /nfs/dbraw/zinc/73/32/83/986733283.db2.gz OYJWQDBFEAZDPI-KHIZAZIESA-N 0 1 381.270 3.105 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435515 986745044 /nfs/dbraw/zinc/74/50/44/986745044.db2.gz KQXXVRVFGIOJAM-QWRGUYRKSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435515 986745055 /nfs/dbraw/zinc/74/50/55/986745055.db2.gz KQXXVRVFGIOJAM-QWRGUYRKSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589436356 986751736 /nfs/dbraw/zinc/75/17/36/986751736.db2.gz VVPOQIXPFMSAKW-OUAUKWLOSA-N 0 1 378.778 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589436356 986751743 /nfs/dbraw/zinc/75/17/43/986751743.db2.gz VVPOQIXPFMSAKW-OUAUKWLOSA-N 0 1 378.778 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001589436355 986752268 /nfs/dbraw/zinc/75/22/68/986752268.db2.gz VVPOQIXPFMSAKW-MXWKQRLJSA-N 0 1 378.778 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001589436355 986752279 /nfs/dbraw/zinc/75/22/79/986752279.db2.gz VVPOQIXPFMSAKW-MXWKQRLJSA-N 0 1 378.778 3.252 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589439292 986772635 /nfs/dbraw/zinc/77/26/35/986772635.db2.gz HRATXDGUMJMSLH-KHIZAZIESA-N 0 1 381.270 3.105 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440415 986784897 /nfs/dbraw/zinc/78/48/97/986784897.db2.gz WPIULRSTRITQPQ-NWDGAFQWSA-N 0 1 377.441 3.187 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440415 986784907 /nfs/dbraw/zinc/78/49/07/986784907.db2.gz WPIULRSTRITQPQ-NWDGAFQWSA-N 0 1 377.441 3.187 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597113389 986786259 /nfs/dbraw/zinc/78/62/59/986786259.db2.gz RZFJQIDALJYTKC-OAHLLOKOSA-N 0 1 386.448 3.008 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597113389 986786266 /nfs/dbraw/zinc/78/62/66/986786266.db2.gz RZFJQIDALJYTKC-OAHLLOKOSA-N 0 1 386.448 3.008 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001597113103 986786449 /nfs/dbraw/zinc/78/64/49/986786449.db2.gz RGADFZBTJAHYKF-LIRRHRJNSA-N 0 1 396.443 3.444 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440458 986786425 /nfs/dbraw/zinc/78/64/25/986786425.db2.gz XWLXGALOZTVROY-QWRGUYRKSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440458 986786432 /nfs/dbraw/zinc/78/64/32/986786432.db2.gz XWLXGALOZTVROY-QWRGUYRKSA-N 0 1 379.869 3.311 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001597113097 986786462 /nfs/dbraw/zinc/78/64/62/986786462.db2.gz RGADFZBTJAHYKF-IFXJQAMLSA-N 0 1 396.443 3.444 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001597113100 986786507 /nfs/dbraw/zinc/78/65/07/986786507.db2.gz RGADFZBTJAHYKF-KUHUBIRLSA-N 0 1 396.443 3.444 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001589440492 986787710 /nfs/dbraw/zinc/78/77/10/986787710.db2.gz YPUDRLSRVPSAHR-DAYGRLMNSA-N 0 1 399.516 3.496 20 0 GGADMN CCOc1ccc(NC(=O)C[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001597117569 986792946 /nfs/dbraw/zinc/79/29/46/986792946.db2.gz KRFCWTCHVHZQBI-GOSISDBHSA-N 0 1 382.416 3.056 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589444174 986796082 /nfs/dbraw/zinc/79/60/82/986796082.db2.gz FTRQEQOQXCDYNC-YMTOWFKASA-N 0 1 398.303 3.371 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589444174 986796093 /nfs/dbraw/zinc/79/60/93/986796093.db2.gz FTRQEQOQXCDYNC-YMTOWFKASA-N 0 1 398.303 3.371 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001589445818 986815387 /nfs/dbraw/zinc/81/53/87/986815387.db2.gz XDWPADQMXGRNJI-CYBMUJFWSA-N 0 1 394.431 3.128 20 0 GGADMN C[C@H]1c2ccsc2CC[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594670846 986981075 /nfs/dbraw/zinc/98/10/75/986981075.db2.gz HZJGAPFHUDQSRH-DJJJIMSYSA-N 0 1 397.500 3.402 20 0 GGADMN C[C@H]1c2ccsc2CC[N@@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594670846 986981080 /nfs/dbraw/zinc/98/10/80/986981080.db2.gz HZJGAPFHUDQSRH-DJJJIMSYSA-N 0 1 397.500 3.402 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597172500 987004150 /nfs/dbraw/zinc/00/41/50/987004150.db2.gz FQPMFUUTUXDHDU-FUHWJXTLSA-N 0 1 390.524 3.475 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001597179374 987035053 /nfs/dbraw/zinc/03/50/53/987035053.db2.gz LULWWVZFRALNBR-JOCHJYFZSA-N 0 1 382.460 3.142 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc(F)c1I)C1CCC1 ZINC001589487282 987046058 /nfs/dbraw/zinc/04/60/58/987046058.db2.gz XSBUHQMREDTELS-SECBINFHSA-N 0 1 377.197 3.258 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001597229948 987181697 /nfs/dbraw/zinc/18/16/97/987181697.db2.gz PPXIGPOFDVRKKU-GHMZBOCLSA-N 0 1 383.495 3.015 20 0 GGADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001589533764 987228291 /nfs/dbraw/zinc/22/82/91/987228291.db2.gz SPILULFFOVHTGP-JXFKEZNVSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001589533764 987228297 /nfs/dbraw/zinc/22/82/97/987228297.db2.gz SPILULFFOVHTGP-JXFKEZNVSA-N 0 1 382.460 3.104 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC001597256173 987256704 /nfs/dbraw/zinc/25/67/04/987256704.db2.gz HXKHUQIKKVHMHM-VXGBXAGGSA-N 0 1 382.551 3.480 20 0 GGADMN CC[C@H](C(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1)[NH+](CC)CC ZINC001594734742 987264130 /nfs/dbraw/zinc/26/41/30/987264130.db2.gz BAEISGMBNQOAGE-GFCCVEGCSA-N 0 1 397.273 3.083 20 0 GGADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554094 987297478 /nfs/dbraw/zinc/29/74/78/987297478.db2.gz WLRACTVQPQZPFO-NWDGAFQWSA-N 0 1 384.461 3.168 20 0 GGADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554094 987297484 /nfs/dbraw/zinc/29/74/84/987297484.db2.gz WLRACTVQPQZPFO-NWDGAFQWSA-N 0 1 384.461 3.168 20 0 GGADMN C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554093 987297805 /nfs/dbraw/zinc/29/78/05/987297805.db2.gz WLRACTVQPQZPFO-NEPJUHHUSA-N 0 1 384.461 3.168 20 0 GGADMN C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589554093 987297815 /nfs/dbraw/zinc/29/78/15/987297815.db2.gz WLRACTVQPQZPFO-NEPJUHHUSA-N 0 1 384.461 3.168 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001589595494 987414096 /nfs/dbraw/zinc/41/40/96/987414096.db2.gz VWUYMZRTVGJKNG-PMACEKPBSA-N 0 1 395.503 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC001589595518 987414421 /nfs/dbraw/zinc/41/44/21/987414421.db2.gz WNKORPPCTUEGEA-IEBWSBKVSA-N 0 1 387.524 3.260 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001589611963 987471094 /nfs/dbraw/zinc/47/10/94/987471094.db2.gz LBMBEJTVMFVYGP-QAPCUYQASA-N 0 1 394.462 3.279 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616195 987476721 /nfs/dbraw/zinc/47/67/21/987476721.db2.gz MYAKGVYUEAYFEU-KBPBESRZSA-N 0 1 398.425 3.200 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC001589616742 987483729 /nfs/dbraw/zinc/48/37/29/987483729.db2.gz FIUGFBPUSDABTO-NSHDSACASA-N 0 1 397.269 3.137 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2c(=O)oc3cccc(Br)c32)C1 ZINC001589616742 987483733 /nfs/dbraw/zinc/48/37/33/987483733.db2.gz FIUGFBPUSDABTO-NSHDSACASA-N 0 1 397.269 3.137 20 0 GGADMN CCc1[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1C(=O)[O-] ZINC001597362151 987526265 /nfs/dbraw/zinc/52/62/65/987526265.db2.gz UBPMDOOOFAMCOJ-MSOLQXFVSA-N 0 1 395.503 3.178 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597363373 987529616 /nfs/dbraw/zinc/52/96/16/987529616.db2.gz HILYWHFPBVSNJH-SFHVURJKSA-N 0 1 385.508 3.470 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001597367340 987542341 /nfs/dbraw/zinc/54/23/41/987542341.db2.gz QZTRXMPMAABBEO-KRWDZBQOSA-N 0 1 383.492 3.150 20 0 GGADMN CCc1[nH]c(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C(=O)OC ZINC001597380284 987571839 /nfs/dbraw/zinc/57/18/39/987571839.db2.gz DGBKMWSNENIYNV-INIZCTEOSA-N 0 1 384.354 3.039 20 0 GGADMN CCc1[nH]c(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1C(=O)OC ZINC001597380284 987571844 /nfs/dbraw/zinc/57/18/44/987571844.db2.gz DGBKMWSNENIYNV-INIZCTEOSA-N 0 1 384.354 3.039 20 0 GGADMN CCc1[nH]c(CN2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC001597383123 987581427 /nfs/dbraw/zinc/58/14/27/987581427.db2.gz BHEQJHNQYOTNTR-UZUQRXQVSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC001597383123 987581437 /nfs/dbraw/zinc/58/14/37/987581437.db2.gz BHEQJHNQYOTNTR-UZUQRXQVSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001597383954 987586738 /nfs/dbraw/zinc/58/67/38/987586738.db2.gz HZUDZMRHLAZDDE-SUMWQHHRSA-N 0 1 379.501 3.401 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1C(=O)[O-] ZINC001597387266 987614066 /nfs/dbraw/zinc/61/40/66/987614066.db2.gz ZFORVJCLMJVUTK-KRWDZBQOSA-N 0 1 399.491 3.414 20 0 GGADMN CCc1[nH]c(C[NH2+][C@H]2COc3cc(F)c(Br)cc32)cc1C(=O)[O-] ZINC001597393502 987636676 /nfs/dbraw/zinc/63/66/76/987636676.db2.gz PQZRQFKSCSDHQV-AWEZNQCLSA-N 0 1 383.217 3.400 20 0 GGADMN CC(C)(C)[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC001589718040 987871949 /nfs/dbraw/zinc/87/19/49/987871949.db2.gz XBVZLEQTJVXKQN-CXAGYDPISA-N 0 1 389.477 3.108 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001597460214 987889635 /nfs/dbraw/zinc/88/96/35/987889635.db2.gz UMBPGEADDHIQEQ-UHFFFAOYSA-N 0 1 397.475 3.101 20 0 GGADMN CC(C)(C)[C@]1(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001589727112 987919327 /nfs/dbraw/zinc/91/93/27/987919327.db2.gz WVHOASBHORPGQM-HSZRJFAPSA-N 0 1 396.535 3.446 20 0 GGADMN CCc1cc2c(C[N@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)cc(=O)oc2cc1O ZINC001597488849 988001578 /nfs/dbraw/zinc/00/15/78/988001578.db2.gz PQUSHAWNPJBTEF-QHCPKHFHSA-N 0 1 393.439 3.289 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@H+]3C[C@H](OC)C[C@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489574 988011782 /nfs/dbraw/zinc/01/17/82/988011782.db2.gz LXUUJLSXYIYYIU-BFUOFWGJSA-N 0 1 379.840 3.073 20 0 GGADMN CS[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCCC1 ZINC001599791369 988014999 /nfs/dbraw/zinc/01/49/99/988014999.db2.gz TVMDKFDTVSVGHH-ARFHVFGLSA-N 0 1 388.455 3.343 20 0 GGADMN CS[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001599791369 988015007 /nfs/dbraw/zinc/01/50/07/988015007.db2.gz TVMDKFDTVSVGHH-ARFHVFGLSA-N 0 1 388.455 3.343 20 0 GGADMN CCc1ccc(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001597492282 988026596 /nfs/dbraw/zinc/02/65/96/988026596.db2.gz RBGYZDRATUVCBC-LJQANCHMSA-N 0 1 399.539 3.149 20 0 GGADMN CC(C)(C)CC[C@H](C[N@@H+](CC(=O)[O-])C1CCOCC1)NC(=O)OC(C)(C)C ZINC001589764194 988098050 /nfs/dbraw/zinc/09/80/50/988098050.db2.gz APODMOOIKZVFCM-OAHLLOKOSA-N 0 1 386.533 3.272 20 0 GGADMN CC(C)(C)CC[C@@H](C[N@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1)NC(=O)OC(C)(C)C ZINC001589764787 988108006 /nfs/dbraw/zinc/10/80/06/988108006.db2.gz XEALHXIQCWUWGG-XOBRGWDASA-N 0 1 397.516 3.011 20 0 GGADMN CCc1ccc([C@@H](NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)C(C)C)cc1 ZINC001597514001 988117322 /nfs/dbraw/zinc/11/73/22/988117322.db2.gz GILOHIZQKKHPIL-JXFKEZNVSA-N 0 1 375.513 3.137 20 0 GGADMN CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3OC)C2)cc1 ZINC001597517377 988131307 /nfs/dbraw/zinc/13/13/07/988131307.db2.gz LGYVFJWOIDIOGV-UXHICEINSA-N 0 1 399.487 3.185 20 0 GGADMN CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)C1=O ZINC001589781156 988159550 /nfs/dbraw/zinc/15/95/50/988159550.db2.gz YASSKZPIRVOBIW-KBPBESRZSA-N 0 1 379.526 3.058 20 0 GGADMN CC(C)(C)CN1CCC[C@@H]([N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)C1=O ZINC001589781159 988159650 /nfs/dbraw/zinc/15/96/50/988159650.db2.gz YASSKZPIRVOBIW-ZIAGYGMSSA-N 0 1 379.526 3.058 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001589800634 988202164 /nfs/dbraw/zinc/20/21/64/988202164.db2.gz DGAXUZCHSBIOAT-YRNRMSPPSA-N 0 1 396.890 3.179 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001589800633 988202501 /nfs/dbraw/zinc/20/25/01/988202501.db2.gz DGAXUZCHSBIOAT-RZQQEMMASA-N 0 1 396.890 3.179 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC001589802727 988215151 /nfs/dbraw/zinc/21/51/51/988215151.db2.gz VZCKAZLHKOOSKP-LBPRGKRZSA-N 0 1 383.876 3.045 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001589805871 988224615 /nfs/dbraw/zinc/22/46/15/988224615.db2.gz IVWRUBKVQCMERK-MRXNPFEDSA-N 0 1 379.526 3.389 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001589806182 988226855 /nfs/dbraw/zinc/22/68/55/988226855.db2.gz LZJXPYJNTBGTIM-INIZCTEOSA-N 0 1 388.512 3.369 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)sc2C1 ZINC001589824550 988289081 /nfs/dbraw/zinc/28/90/81/988289081.db2.gz HFACUVGBZZIAAC-LHSJRXKWSA-N 0 1 399.516 3.497 20 0 GGADMN CCc1ccc2c(C[N@H+]3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)cc(=O)oc2c1 ZINC001597563622 988317255 /nfs/dbraw/zinc/31/72/55/988317255.db2.gz QFVPLAQLECGTDN-KGLIPLIRSA-N 0 1 383.366 3.440 20 0 GGADMN CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC001599810806 988330499 /nfs/dbraw/zinc/33/04/99/988330499.db2.gz HMNAPELDMYJDTP-HXUWFJFHSA-N 0 1 398.528 3.489 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C(=O)[O-])o2)C1 ZINC001589859997 988422161 /nfs/dbraw/zinc/42/21/61/988422161.db2.gz CRPCSAGDMVVDBP-NVXWUHKLSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCCC[C@@H]3C(=O)[O-])o2)C1 ZINC001589859997 988422169 /nfs/dbraw/zinc/42/21/69/988422169.db2.gz CRPCSAGDMVVDBP-NVXWUHKLSA-N 0 1 392.496 3.277 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001599815928 988424691 /nfs/dbraw/zinc/42/46/91/988424691.db2.gz JDYCMLJTHUFQNK-BTYIYWSLSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccc(NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1C(=O)[O-] ZINC001599817320 988449586 /nfs/dbraw/zinc/44/95/86/988449586.db2.gz FQOSJXHLPZFNLL-UHFFFAOYSA-N 0 1 386.477 3.164 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC12CC(C(=O)[O-])C2 ZINC001589865456 988458024 /nfs/dbraw/zinc/45/80/24/988458024.db2.gz AXXFMBYMEOPYKU-OJLPUSQMSA-N 0 1 395.540 3.335 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCC2CCOCC2)CC12CC(C(=O)[O-])C2 ZINC001589865756 988460998 /nfs/dbraw/zinc/46/09/98/988460998.db2.gz GPSXXRAHAVGOSV-DKTYTTGXSA-N 0 1 395.540 3.338 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589865794 988462677 /nfs/dbraw/zinc/46/26/77/988462677.db2.gz HENICQJYNJDMCL-LQZXRHCMSA-N 0 1 381.419 3.219 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCC3(CCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589865998 988463925 /nfs/dbraw/zinc/46/39/25/988463925.db2.gz JJKDXLMFCSNXIL-GWWPLSDWSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)CC12CC(C(=O)[O-])C2 ZINC001589865989 988464233 /nfs/dbraw/zinc/46/42/33/988464233.db2.gz JFDFVOOHLAWAOF-GJGORFQUSA-N 0 1 392.496 3.227 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)CC12CC(C(=O)[O-])C2 ZINC001589865989 988464238 /nfs/dbraw/zinc/46/42/38/988464238.db2.gz JFDFVOOHLAWAOF-GJGORFQUSA-N 0 1 392.496 3.227 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)CC12CC(C(=O)[O-])C2 ZINC001589865990 988464249 /nfs/dbraw/zinc/46/42/49/988464249.db2.gz JFDFVOOHLAWAOF-YZGUTLMUSA-N 0 1 392.496 3.227 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)CC12CC(C(=O)[O-])C2 ZINC001589865990 988464253 /nfs/dbraw/zinc/46/42/53/988464253.db2.gz JFDFVOOHLAWAOF-YZGUTLMUSA-N 0 1 392.496 3.227 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCC3(CCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589866000 988464287 /nfs/dbraw/zinc/46/42/87/988464287.db2.gz JJKDXLMFCSNXIL-NHUHVJRWSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCC3(CCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589865999 988464439 /nfs/dbraw/zinc/46/44/39/988464439.db2.gz JJKDXLMFCSNXIL-JWRWLIQVSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc32)CC12CC(C(=O)[O-])C2 ZINC001589867455 988488551 /nfs/dbraw/zinc/48/85/51/988488551.db2.gz XDOIJNZUWYBILV-IFLRQGIBSA-N 0 1 385.504 3.471 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCc2c(F)cccc2F)CC12CC(C(=O)[O-])C2 ZINC001589867492 988488610 /nfs/dbraw/zinc/48/86/10/988488610.db2.gz XRRJOPFPGQWXFF-FDTVQSNTSA-N 0 1 395.446 3.262 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc32)CC12CC(C(=O)[O-])C2 ZINC001589867456 988488996 /nfs/dbraw/zinc/48/89/96/988488996.db2.gz XDOIJNZUWYBILV-VQRZDKTKSA-N 0 1 385.504 3.471 20 0 GGADMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589872044 988502724 /nfs/dbraw/zinc/50/27/24/988502724.db2.gz NISTVHGSSANJPD-KRWDZBQOSA-N 0 1 390.480 3.300 20 0 GGADMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589872044 988502731 /nfs/dbraw/zinc/50/27/31/988502731.db2.gz NISTVHGSSANJPD-KRWDZBQOSA-N 0 1 390.480 3.300 20 0 GGADMN CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001599822867 988545068 /nfs/dbraw/zinc/54/50/68/988545068.db2.gz ZUFZPJOUMFYXDN-VFNWGFHPSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001599825024 988583020 /nfs/dbraw/zinc/58/30/20/988583020.db2.gz CWROSSRCWTXRAT-CYBMUJFWSA-N 0 1 396.534 3.214 20 0 GGADMN CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001599825024 988583024 /nfs/dbraw/zinc/58/30/24/988583024.db2.gz CWROSSRCWTXRAT-CYBMUJFWSA-N 0 1 396.534 3.214 20 0 GGADMN CC(C)(C)OC(=O)N(CCC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1)C1CC1 ZINC001589905364 988615520 /nfs/dbraw/zinc/61/55/20/988615520.db2.gz GGOZSQRGCGAWPJ-INIZCTEOSA-N 0 1 380.407 3.115 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@](C)(C(=O)[O-])C2)[C@H](O)c2ccccc21 ZINC001589928621 988677701 /nfs/dbraw/zinc/67/77/01/988677701.db2.gz GXAHBCFCOQUXPI-FVJLSDCUSA-N 0 1 390.480 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1CC([N@@H+](Cc2ccc(C3(C(=O)[O-])CC3)cc2)C2CC2)C1 ZINC001589928722 988678992 /nfs/dbraw/zinc/67/89/92/988678992.db2.gz JHQCYBNTTAYYME-UHFFFAOYSA-N 0 1 386.492 3.387 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001589929493 988685827 /nfs/dbraw/zinc/68/58/27/988685827.db2.gz CYHHFMOCNGRAIB-ZBFHGGJFSA-N 0 1 396.434 3.315 20 0 GGADMN CC(C)(C)OC(=O)N1CC([N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C2CCC2)C1 ZINC001589930617 988695297 /nfs/dbraw/zinc/69/52/97/988695297.db2.gz WXZUYAVFYJUIFE-UHFFFAOYSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+]([C@H]1CCCc3ccccc31)C[C@H]2C(=O)[O-] ZINC001589941471 988722304 /nfs/dbraw/zinc/72/23/04/988722304.db2.gz JKVAONIYJZVPBR-ROUUACIJSA-N 0 1 386.492 3.318 20 0 GGADMN 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ZINC001589971778 988802539 /nfs/dbraw/zinc/80/25/39/988802539.db2.gz FCINZOQRMUVZGJ-ZIAGYGMSSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001589972291 988813164 /nfs/dbraw/zinc/81/31/64/988813164.db2.gz ZIAPZUDJRWOJEK-KGLIPLIRSA-N 0 1 395.525 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC001589973779 988819314 /nfs/dbraw/zinc/81/93/14/988819314.db2.gz JCVXHHCTXMXHGC-INIZCTEOSA-N 0 1 386.558 3.306 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001589974102 988820711 /nfs/dbraw/zinc/82/07/11/988820711.db2.gz MCKLPXUCOAEKGA-JTSKRJEESA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ncc(C(=O)[O-])s2)C2CC2)CC1 ZINC001589983167 988862742 /nfs/dbraw/zinc/86/27/42/988862742.db2.gz NRLAYCHVGYZFIZ-UHFFFAOYSA-N 0 1 381.498 3.205 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ncc(C(=O)[O-])s2)C2CC2)CC1 ZINC001589983167 988862760 /nfs/dbraw/zinc/86/27/60/988862760.db2.gz NRLAYCHVGYZFIZ-UHFFFAOYSA-N 0 1 381.498 3.205 20 0 GGADMN C[C@@H](O)[C@@H](C(=O)[O-])[N@H+](Cc1ccccc1)C[C@H](O)Cc1ccc2ccccc2c1 ZINC001599843147 988883536 /nfs/dbraw/zinc/88/35/36/988883536.db2.gz BHPSNLXEBXPFOV-ZQMYSKGWSA-N 0 1 393.483 3.079 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1cccc(C(=O)[O-])n1)C2 ZINC001590002622 988920630 /nfs/dbraw/zinc/92/06/30/988920630.db2.gz BMKCTYSQJLMVEK-OAQYLSRUSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)C2 ZINC001590002653 988920994 /nfs/dbraw/zinc/92/09/94/988920994.db2.gz BWWWOGDRQISUBZ-OAQYLSRUSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](Cc1ncc(C(=O)[O-])s1)C2 ZINC001590002935 988924355 /nfs/dbraw/zinc/92/43/55/988924355.db2.gz GTDFHTMIPUGELQ-LJQANCHMSA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1ncc(C(=O)[O-])s1)C2 ZINC001590002935 988924363 /nfs/dbraw/zinc/92/43/63/988924363.db2.gz GTDFHTMIPUGELQ-LJQANCHMSA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])c(F)c1 ZINC001590003264 988928644 /nfs/dbraw/zinc/92/86/44/988928644.db2.gz BXKXADMQLYIYLA-DLBZAZTESA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(C(=O)[O-])n2)C1 ZINC001590004964 988947151 /nfs/dbraw/zinc/94/71/51/988947151.db2.gz NFLUCVMFPZBMLM-PBHICJAKSA-N 0 1 375.469 3.001 20 0 GGADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001597705775 988948752 /nfs/dbraw/zinc/94/87/52/988948752.db2.gz HIBIQVKJOGROEJ-AYBZRNKSSA-N 0 1 383.492 3.476 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCOc1cccc(C(=O)[O-])c1 ZINC001590005248 988949400 /nfs/dbraw/zinc/94/94/00/988949400.db2.gz OVKYPVRONQNOPB-QZTJIDSGSA-N 0 1 390.480 3.237 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCOc1cccc(C(=O)[O-])c1 ZINC001590005250 988949801 /nfs/dbraw/zinc/94/98/01/988949801.db2.gz OVKYPVRONQNOPB-ROUUACIJSA-N 0 1 390.480 3.237 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011284 988962542 /nfs/dbraw/zinc/96/25/42/988962542.db2.gz CHLXSZQHHSIPSG-CABCVRRESA-N 0 1 393.484 3.232 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001590011207 988962889 /nfs/dbraw/zinc/96/28/89/988962889.db2.gz BSEODQNPKNFJJE-GUYCJALGSA-N 0 1 394.434 3.363 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011290 988962959 /nfs/dbraw/zinc/96/29/59/988962959.db2.gz CHLXSZQHHSIPSG-HUUCEWRRSA-N 0 1 393.484 3.232 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]1(C[NH2+]Cc1ccc(C(=O)[O-])o1)C(F)(F)F ZINC001590018263 989000728 /nfs/dbraw/zinc/00/07/28/989000728.db2.gz JTOKIFISNLVGMP-MRXNPFEDSA-N 0 1 392.374 3.399 20 0 GGADMN CCc1nn(C)cc1C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001597722625 989001186 /nfs/dbraw/zinc/00/11/86/989001186.db2.gz DBFYEIVICLEIOK-UHFFFAOYSA-N 0 1 380.286 3.222 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018833 989005416 /nfs/dbraw/zinc/00/54/16/989005416.db2.gz PUXZABUUSNXGDY-JKSUJKDBSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590018833 989005429 /nfs/dbraw/zinc/00/54/29/989005429.db2.gz PUXZABUUSNXGDY-JKSUJKDBSA-N 0 1 379.457 3.127 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+]([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC001590024487 989011438 /nfs/dbraw/zinc/01/14/38/989011438.db2.gz AAICOKPILCDBJT-UZLBHIALSA-N 0 1 375.469 3.073 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@H](C[N@@H+](CCC(F)(F)F)CC(=O)[O-])C1 ZINC001590024594 989012520 /nfs/dbraw/zinc/01/25/20/989012520.db2.gz BSHZQJKPMQDDDQ-ZDUSSCGKSA-N 0 1 382.423 3.363 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cccc(C(=O)[O-])n1)C2 ZINC001590026268 989025691 /nfs/dbraw/zinc/02/56/91/989025691.db2.gz TVIVVOPLCBSCHS-HXUWFJFHSA-N 0 1 375.469 3.145 20 0 GGADMN CCc1nnc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)s1 ZINC001597728784 989029877 /nfs/dbraw/zinc/02/98/77/989029877.db2.gz MEKJGSFGVHZFPB-QWHCGFSZSA-N 0 1 396.310 3.163 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)[C@@H](C(=O)[O-])C1 ZINC001590034379 989044961 /nfs/dbraw/zinc/04/49/61/989044961.db2.gz DQSWVPBGOKBQST-UONOGXRCSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C/c2ccc(F)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590034441 989045478 /nfs/dbraw/zinc/04/54/78/989045478.db2.gz FVRCAZNGQPFTRW-UKINESCASA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C/c2ccc(F)c(F)c2)[C@H](C(=O)[O-])C1 ZINC001590034443 989045736 /nfs/dbraw/zinc/04/57/36/989045736.db2.gz FVRCAZNGQPFTRW-YXMMZVCTSA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C\c2ccc(F)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590034442 989046044 /nfs/dbraw/zinc/04/60/44/989046044.db2.gz FVRCAZNGQPFTRW-XQDHMALISA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)[C@@H](C(=O)[O-])C1 ZINC001590034975 989054658 /nfs/dbraw/zinc/05/46/58/989054658.db2.gz NWZPPCJECAMSGT-DLBZAZTESA-N 0 1 396.528 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC001590035531 989060498 /nfs/dbraw/zinc/06/04/98/989060498.db2.gz USBHOEVPGPLCCS-SFHVURJKSA-N 0 1 385.464 3.131 20 0 GGADMN CCc1nnc(N2CCC[C@H](C(=O)[O-])C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001597733974 989061260 /nfs/dbraw/zinc/06/12/60/989061260.db2.gz NZJWZWUTIPQQOJ-IBGZPJMESA-N 0 1 399.539 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)C1 ZINC001590035957 989063264 /nfs/dbraw/zinc/06/32/64/989063264.db2.gz HTWCTXWWTUMLOR-MELADBBJSA-N 0 1 394.434 3.219 20 0 GGADMN C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599856950 989104282 /nfs/dbraw/zinc/10/42/82/989104282.db2.gz HGTQZLLBNHEABL-AHSZXGJYSA-N 0 1 399.535 3.324 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@H]1CC(=O)[O-] ZINC001599858140 989121933 /nfs/dbraw/zinc/12/19/33/989121933.db2.gz XPINSLWHBNXMSK-KPACCLEDSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H]1CC(=O)[O-] ZINC001599858139 989122130 /nfs/dbraw/zinc/12/21/30/989122130.db2.gz XPINSLWHBNXMSK-GHRYLNIYSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599862150 989186291 /nfs/dbraw/zinc/18/62/91/989186291.db2.gz JOFFEOGPVKWMSM-NXWXRZEISA-N 0 1 388.508 3.290 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001599862263 989187420 /nfs/dbraw/zinc/18/74/20/989187420.db2.gz LWTYONKLAADDSM-SJLPKXTDSA-N 0 1 376.497 3.119 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC001597762877 989198868 /nfs/dbraw/zinc/19/88/68/989198868.db2.gz LOYYWZQYFVMBRR-NSHDSACASA-N 0 1 378.450 3.163 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762908 989200958 /nfs/dbraw/zinc/20/09/58/989200958.db2.gz MSZKDZFRZRBGGX-JLTOFOAXSA-N 0 1 378.469 3.419 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C[C@]2(C)C1 ZINC001590091084 989204679 /nfs/dbraw/zinc/20/46/79/989204679.db2.gz CPXLVVJDFKZJQB-MGPUTAFESA-N 0 1 378.444 3.213 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3c4ccccc4[nH]c3C(=O)[O-])[C@@H]2C1 ZINC001590091593 989208908 /nfs/dbraw/zinc/20/89/08/989208908.db2.gz NZRRDSANRQEEDF-SUMWQHHRSA-N 0 1 385.464 3.307 20 0 GGADMN C[C@@H]1C[N@H+]([C@@H](Cc2ccc(F)cc2)C(=O)[O-])C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC001599864827 989229532 /nfs/dbraw/zinc/22/95/32/989229532.db2.gz LAPYIAHHAOAWCZ-DAESXHAQSA-N 0 1 394.487 3.304 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599865563 989247328 /nfs/dbraw/zinc/24/73/28/989247328.db2.gz LEHJVLMSWIZDPU-XHPGIKPDSA-N 0 1 390.480 3.008 20 0 GGADMN CC(C)(C)OC(=O)N1[C@H](C[N@@H+](CCC(=O)[O-])Cc2ccccc2)COC1(C)C ZINC001590105747 989258243 /nfs/dbraw/zinc/25/82/43/989258243.db2.gz NJARSGAMDHODGR-QGZVFWFLSA-N 0 1 392.496 3.335 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(C(=O)[O-])cc3)n2)O1 ZINC001599866686 989276296 /nfs/dbraw/zinc/27/62/96/989276296.db2.gz VPSRCZNRZIZLKV-KDOFPFPSSA-N 0 1 379.416 3.397 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(-c3ccc(C(=O)[O-])cc3)n2)O1 ZINC001599866686 989276301 /nfs/dbraw/zinc/27/63/01/989276301.db2.gz VPSRCZNRZIZLKV-KDOFPFPSSA-N 0 1 379.416 3.397 20 0 GGADMN CCc1oc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1C(=O)[O-] ZINC001597795829 989347465 /nfs/dbraw/zinc/34/74/65/989347465.db2.gz DRNCKTDJRFGNJK-QGZVFWFLSA-N 0 1 387.480 3.040 20 0 GGADMN CCc1oc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1C(=O)[O-] ZINC001597795829 989347475 /nfs/dbraw/zinc/34/74/75/989347475.db2.gz DRNCKTDJRFGNJK-QGZVFWFLSA-N 0 1 387.480 3.040 20 0 GGADMN CCc1oc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C(=O)OC ZINC001597795907 989348601 /nfs/dbraw/zinc/34/86/01/989348601.db2.gz HGXDWQCRARMGEE-UHFFFAOYSA-N 0 1 381.375 3.384 20 0 GGADMN CCc1oc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C(=O)OC ZINC001597795907 989348607 /nfs/dbraw/zinc/34/86/07/989348607.db2.gz HGXDWQCRARMGEE-UHFFFAOYSA-N 0 1 381.375 3.384 20 0 GGADMN CCc1oc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1C(=O)[O-] ZINC001597798501 989368042 /nfs/dbraw/zinc/36/80/42/989368042.db2.gz HDBDOSAXIJVSJR-QGZVFWFLSA-N 0 1 392.402 3.099 20 0 GGADMN CCc1oc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1C(=O)[O-] ZINC001597798753 989372403 /nfs/dbraw/zinc/37/24/03/989372403.db2.gz JHCLUSZCURMZGJ-ZIAGYGMSSA-N 0 1 378.469 3.229 20 0 GGADMN CCc1oc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1C(=O)[O-] ZINC001597798790 989372847 /nfs/dbraw/zinc/37/28/47/989372847.db2.gz KKMDXLNVMRBZIP-CYBMUJFWSA-N 0 1 390.455 3.491 20 0 GGADMN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1C(=O)[O-])C2 ZINC001590137565 989386763 /nfs/dbraw/zinc/38/67/63/989386763.db2.gz AXXGHWSWHGDALG-YCRPNKLZSA-N 0 1 390.480 3.143 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C2 ZINC001590137814 989387428 /nfs/dbraw/zinc/38/74/28/989387428.db2.gz DMMKYZOBWQXGKA-QZNQWCCFSA-N 0 1 376.453 3.257 20 0 GGADMN CCc1oc(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)cc1C(=O)[O-] ZINC001597801404 989394614 /nfs/dbraw/zinc/39/46/14/989394614.db2.gz CLNDGFIAWRQVFF-UHFFFAOYSA-N 0 1 395.253 3.339 20 0 GGADMN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C2 ZINC001590139467 989402167 /nfs/dbraw/zinc/40/21/67/989402167.db2.gz NSGXHLUZFUFGDT-MGPUTAFESA-N 0 1 378.444 3.403 20 0 GGADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)[O-])n1 ZINC001590141014 989416699 /nfs/dbraw/zinc/41/66/99/989416699.db2.gz YEBPLPATPJWANF-MQVJKMGUSA-N 0 1 375.469 3.190 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCC(C)(C)C(=O)[O-])C2)C1 ZINC001590146533 989418358 /nfs/dbraw/zinc/41/83/58/989418358.db2.gz COKWBIGIDVRVQF-ZACQAIPSSA-N 0 1 398.544 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3(CC(=O)[O-])CC3)C2)C1 ZINC001590148293 989439454 /nfs/dbraw/zinc/43/94/54/989439454.db2.gz WYLLEOUROQSOPJ-BBWFWOEESA-N 0 1 396.528 3.026 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001599878117 989446157 /nfs/dbraw/zinc/44/61/57/989446157.db2.gz ITQOPAAFEFCFSG-NXEZZACHSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001599878117 989446158 /nfs/dbraw/zinc/44/61/58/989446158.db2.gz ITQOPAAFEFCFSG-NXEZZACHSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001599878169 989446495 /nfs/dbraw/zinc/44/64/95/989446495.db2.gz LTDIOQPFMCLFPT-HZPDHXFCSA-N 0 1 395.459 3.063 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2oncc2C(=O)[O-])C1 ZINC001590162373 989468705 /nfs/dbraw/zinc/46/87/05/989468705.db2.gz JYLWCMCIUFCLIK-LJQANCHMSA-N 0 1 381.473 3.136 20 0 GGADMN CC(C)(C)OC(=O)NCC1(C[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001590164784 989478145 /nfs/dbraw/zinc/47/81/45/989478145.db2.gz FJDKPOFZBQAIDK-UHFFFAOYSA-N 0 1 378.444 3.187 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001590168570 989488363 /nfs/dbraw/zinc/48/83/63/989488363.db2.gz HORKXSGHEWPSDW-XJJHUTDHSA-N 0 1 376.453 3.257 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC001590176133 989501425 /nfs/dbraw/zinc/50/14/25/989501425.db2.gz AZFGHWSVFWKAEU-AWEZNQCLSA-N 0 1 398.887 3.154 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC001590176133 989501431 /nfs/dbraw/zinc/50/14/31/989501431.db2.gz AZFGHWSVFWKAEU-AWEZNQCLSA-N 0 1 398.887 3.154 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCCO1 ZINC001590176326 989504869 /nfs/dbraw/zinc/50/48/69/989504869.db2.gz GHOZXFANUKKDTC-HZPDHXFCSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)CCCO1 ZINC001590176601 989509283 /nfs/dbraw/zinc/50/92/83/989509283.db2.gz KVWHMSUWXVZDFY-CZUORRHYSA-N 0 1 398.887 3.081 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001590176851 989510453 /nfs/dbraw/zinc/51/04/53/989510453.db2.gz LTQCVBIQZZBMBS-CQSZACIVSA-N 0 1 385.464 3.280 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CC[C@@H]1C(F)(F)F ZINC001590178754 989525022 /nfs/dbraw/zinc/52/50/22/989525022.db2.gz YUFXUPJYKCNTRW-STQMWFEESA-N 0 1 394.434 3.266 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC001590200920 989564330 /nfs/dbraw/zinc/56/43/30/989564330.db2.gz MPKANSZANJDNPA-UHFFFAOYSA-N 0 1 385.464 3.307 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC001590200920 989564334 /nfs/dbraw/zinc/56/43/34/989564334.db2.gz MPKANSZANJDNPA-UHFFFAOYSA-N 0 1 385.464 3.307 20 0 GGADMN CCn1c([C@@H]2CCCC[N@H+]2C2CCCC2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001597847584 989568137 /nfs/dbraw/zinc/56/81/37/989568137.db2.gz KLJXUMYBRIQYQJ-JXFKEZNVSA-N 0 1 375.517 3.069 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC001590224150 989595815 /nfs/dbraw/zinc/59/58/15/989595815.db2.gz QUOSBGYRTOHOCS-INIZCTEOSA-N 0 1 380.510 3.103 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@@H+](C1CCC(C(=O)[O-])CC1)C2 ZINC001590230910 989605283 /nfs/dbraw/zinc/60/52/83/989605283.db2.gz WWHFXBPVMYYLCN-UHFFFAOYSA-N 0 1 395.525 3.169 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@H+](C1CCC(C(=O)[O-])CC1)C2 ZINC001590230910 989605289 /nfs/dbraw/zinc/60/52/89/989605289.db2.gz WWHFXBPVMYYLCN-UHFFFAOYSA-N 0 1 395.525 3.169 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])C[C@H]1c1ccccc1 ZINC001590267477 989662832 /nfs/dbraw/zinc/66/28/32/989662832.db2.gz FNUMAIWBMUTAKG-DLBZAZTESA-N 0 1 376.497 3.480 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC[C@H]1F ZINC001590267707 989665240 /nfs/dbraw/zinc/66/52/40/989665240.db2.gz LBKRQANLPJITOR-RBSFLKMASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC[C@H]1F ZINC001590267707 989665243 /nfs/dbraw/zinc/66/52/43/989665243.db2.gz LBKRQANLPJITOR-RBSFLKMASA-N 0 1 386.851 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCCCC(=O)[O-])C[C@H]1c1cccc(F)c1 ZINC001590267717 989666128 /nfs/dbraw/zinc/66/61/28/989666128.db2.gz LQQONBSQHSBWMB-DLBZAZTESA-N 0 1 380.460 3.373 20 0 GGADMN CCn1c2ccccc2c2cc(C[N@H+](C)CC(=O)N[C@H](C(=O)[O-])C(C)C)ccc21 ZINC001597869249 989666680 /nfs/dbraw/zinc/66/66/80/989666680.db2.gz VHOFBMJYURQSPX-QFIPXVFZSA-N 0 1 395.503 3.472 20 0 GGADMN CCn1c2ccccc2c2cc(C[N@@H+](C)CC(=O)N[C@H](C(=O)[O-])C(C)C)ccc21 ZINC001597869249 989666684 /nfs/dbraw/zinc/66/66/84/989666684.db2.gz VHOFBMJYURQSPX-QFIPXVFZSA-N 0 1 395.503 3.472 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001590268217 989669621 /nfs/dbraw/zinc/66/96/21/989669621.db2.gz VIDXQADFFCBNJU-ZIAGYGMSSA-N 0 1 388.386 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1C(F)(F)F ZINC001590268217 989669624 /nfs/dbraw/zinc/66/96/24/989669624.db2.gz VIDXQADFFCBNJU-ZIAGYGMSSA-N 0 1 388.386 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@]2(C(=O)[O-])C1 ZINC001590297912 989725253 /nfs/dbraw/zinc/72/52/53/989725253.db2.gz WBUYUSJRFUOFLU-QEEYODRMSA-N 0 1 378.444 3.016 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC001590319311 989754572 /nfs/dbraw/zinc/75/45/72/989754572.db2.gz BSDNUJDECXKYEU-QGZVFWFLSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC001590319311 989754574 /nfs/dbraw/zinc/75/45/74/989754574.db2.gz BSDNUJDECXKYEU-QGZVFWFLSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC001590319616 989756686 /nfs/dbraw/zinc/75/66/86/989756686.db2.gz KXACAQRXAWGUAC-AWEZNQCLSA-N 0 1 395.403 3.329 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC001590319616 989756688 /nfs/dbraw/zinc/75/66/88/989756688.db2.gz KXACAQRXAWGUAC-AWEZNQCLSA-N 0 1 395.403 3.329 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C[C@H]1c1ccccc1 ZINC001590340639 989781687 /nfs/dbraw/zinc/78/16/87/989781687.db2.gz XBFWWDJWWCXKNM-IPMKNSEASA-N 0 1 382.460 3.265 20 0 GGADMN CC(C)(C)OCCCN1CC[NH+](Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001590382877 989900701 /nfs/dbraw/zinc/90/07/01/989900701.db2.gz SJNYTKPIOFFTML-UHFFFAOYSA-N 0 1 385.508 3.256 20 0 GGADMN CC(C)(C)OCCC[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001590382971 989902019 /nfs/dbraw/zinc/90/20/19/989902019.db2.gz VLLAHNJIXLLJFR-UHFFFAOYSA-N 0 1 399.438 3.018 20 0 GGADMN CC(C)(C)OCCCN1CC[NH+](Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC001590383173 989903088 /nfs/dbraw/zinc/90/30/88/989903088.db2.gz ZLSJLPPBLDGLIS-UHFFFAOYSA-N 0 1 385.508 3.256 20 0 GGADMN CCn1nccc1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001597966071 990004929 /nfs/dbraw/zinc/00/49/29/990004929.db2.gz OLTKBICIIBBTLX-UHFFFAOYSA-N 0 1 394.262 3.384 20 0 GGADMN CN(C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001597991321 990092069 /nfs/dbraw/zinc/09/20/69/990092069.db2.gz ISNPKPOLVDLHJL-DPLHUUCSSA-N 0 1 392.499 3.368 20 0 GGADMN CN(C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597991410 990093002 /nfs/dbraw/zinc/09/30/02/990093002.db2.gz LLRNYRIXNMBTCV-HBMCJLEFSA-N 0 1 398.478 3.349 20 0 GGADMN CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1 ZINC001590494546 990102515 /nfs/dbraw/zinc/10/25/15/990102515.db2.gz VVVIDJXVEHJMCV-JOCHJYFZSA-N 0 1 388.508 3.004 20 0 GGADMN CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3ccc(C(=O)[O-])o3)CC2)n1 ZINC001590533540 990147092 /nfs/dbraw/zinc/14/70/92/990147092.db2.gz XMVHJVNJBSDLNN-UHFFFAOYSA-N 0 1 378.494 3.301 20 0 GGADMN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001590573211 990210648 /nfs/dbraw/zinc/21/06/48/990210648.db2.gz NSGHSKAHLQPNPZ-HIFRSBDPSA-N 0 1 391.899 3.091 20 0 GGADMN CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001598023305 990221743 /nfs/dbraw/zinc/22/17/43/990221743.db2.gz LSSCONOTMPXGHZ-JTAQYXEDSA-N 0 1 392.499 3.420 20 0 GGADMN CN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1C(=O)[O-] ZINC001598023398 990222056 /nfs/dbraw/zinc/22/20/56/990222056.db2.gz NHJNYZWLFRLAGA-HNNXBMFYSA-N 0 1 384.398 3.402 20 0 GGADMN CN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1C(=O)[O-] ZINC001598023398 990222068 /nfs/dbraw/zinc/22/20/68/990222068.db2.gz NHJNYZWLFRLAGA-HNNXBMFYSA-N 0 1 384.398 3.402 20 0 GGADMN CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1)C(N)=O ZINC001590654296 990346262 /nfs/dbraw/zinc/34/62/62/990346262.db2.gz MUARCZPETJEDFL-CYBMUJFWSA-N 0 1 397.313 3.261 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001598065978 990348137 /nfs/dbraw/zinc/34/81/37/990348137.db2.gz CXRPHZOAXQXOOV-HNNXBMFYSA-N 0 1 385.464 3.374 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001598066368 990350246 /nfs/dbraw/zinc/35/02/46/990350246.db2.gz JBNVKYMWCQCKLP-OAHLLOKOSA-N 0 1 385.464 3.374 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC001598067229 990357179 /nfs/dbraw/zinc/35/71/79/990357179.db2.gz SSJJQTWPQHXARS-HNNXBMFYSA-N 0 1 378.469 3.095 20 0 GGADMN CN(C(=O)c1ccccc1CCC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001598093107 990437584 /nfs/dbraw/zinc/43/75/84/990437584.db2.gz DNQVSMWZNGYIPP-FQEVSTJZSA-N 0 1 380.488 3.440 20 0 GGADMN CC(C)(CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)CC(=O)[O-] ZINC001590722884 990500384 /nfs/dbraw/zinc/50/03/84/990500384.db2.gz HGVWKVNVOUTTRW-SFHVURJKSA-N 0 1 387.524 3.089 20 0 GGADMN CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598144149 990608197 /nfs/dbraw/zinc/60/81/97/990608197.db2.gz BRSMSVCSRDBJIA-CYBMUJFWSA-N 0 1 399.285 3.200 20 0 GGADMN CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001598144149 990608199 /nfs/dbraw/zinc/60/81/99/990608199.db2.gz BRSMSVCSRDBJIA-CYBMUJFWSA-N 0 1 399.285 3.200 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001598144419 990609734 /nfs/dbraw/zinc/60/97/34/990609734.db2.gz GGOPJQMLBNXDDX-HNNXBMFYSA-N 0 1 376.400 3.299 20 0 GGADMN C[NH+](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC001598162293 990658456 /nfs/dbraw/zinc/65/84/56/990658456.db2.gz DFZDVJAXOVSXIP-INIZCTEOSA-N 0 1 391.265 3.066 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1)c1cccc(Cl)c1 ZINC001598162541 990661603 /nfs/dbraw/zinc/66/16/03/990661603.db2.gz HCKCYFPCEPFJLA-QGZVFWFLSA-N 0 1 391.855 3.035 20 0 GGADMN CN(C)C(=O)c1ccccc1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598163060 990666513 /nfs/dbraw/zinc/66/65/13/990666513.db2.gz QYYXSBKHYWODIY-RBUKOAKNSA-N 0 1 386.879 3.342 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC001598163374 990669706 /nfs/dbraw/zinc/66/97/06/990669706.db2.gz SBHLAQRZAZXQPH-GUDVDZBRSA-N 0 1 386.879 3.270 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1 ZINC001598163890 990673749 /nfs/dbraw/zinc/67/37/49/990673749.db2.gz YJAOIZQGRBVORT-XDNAFOTISA-N 0 1 378.900 3.435 20 0 GGADMN Cn1c2ncccc2c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(=O)[O-] ZINC001598166989 990684892 /nfs/dbraw/zinc/68/48/92/990684892.db2.gz YMCXHUDWLXIKEP-HNNXBMFYSA-N 0 1 386.839 3.166 20 0 GGADMN Cn1c2ncccc2c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(=O)[O-] ZINC001598166990 990685113 /nfs/dbraw/zinc/68/51/13/990685113.db2.gz YMCXHUDWLXIKEP-OAHLLOKOSA-N 0 1 386.839 3.166 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC001598170657 990701561 /nfs/dbraw/zinc/70/15/61/990701561.db2.gz PKRIPQPVTMOZPQ-KRWDZBQOSA-N 0 1 375.856 3.392 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccco1 ZINC001598171054 990704863 /nfs/dbraw/zinc/70/48/63/990704863.db2.gz RRCMRBMFWSDZJH-QGZVFWFLSA-N 0 1 386.452 3.002 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001598171988 990711302 /nfs/dbraw/zinc/71/13/02/990711302.db2.gz ZYAVWVZJVXWEPK-GOSISDBHSA-N 0 1 389.883 3.183 20 0 GGADMN CC(C)([NH2+]CC(=O)NC1(C(=O)[O-])CCCCC1)c1nc2ccccc2s1 ZINC001590866447 990758539 /nfs/dbraw/zinc/75/85/39/990758539.db2.gz AGWJEQXFQHLOKM-UHFFFAOYSA-N 0 1 375.494 3.025 20 0 GGADMN C[NH+](C)Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)no1 ZINC001598247504 991019359 /nfs/dbraw/zinc/01/93/59/991019359.db2.gz UOKVCVAEPDXSPG-UHFFFAOYSA-N 0 1 395.415 3.266 20 0 GGADMN C[NH+](C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)o1 ZINC001598248743 991023579 /nfs/dbraw/zinc/02/35/79/991023579.db2.gz KFPNURNMKRZSOV-CQSZACIVSA-N 0 1 395.253 3.050 20 0 GGADMN CN(C)Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccs2)c2c1OC(F)(F)O2 ZINC001598252029 991029310 /nfs/dbraw/zinc/02/93/10/991029310.db2.gz AAOUWTHKLBWNJF-ZDUSSCGKSA-N 0 1 384.404 3.047 20 0 GGADMN CN(C)Cc1ccc(C[NH2+]C[C@@H](CC2CCCC2)C(=O)[O-])c2c1OC(F)(F)O2 ZINC001598252516 991033256 /nfs/dbraw/zinc/03/32/56/991033256.db2.gz JWKMRFNTDDYTSA-MRXNPFEDSA-N 0 1 398.450 3.440 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Br ZINC001598252749 991034784 /nfs/dbraw/zinc/03/47/84/991034784.db2.gz MLPVBXUXDGDXEF-UONOGXRCSA-N 0 1 383.286 3.340 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001590980901 991135749 /nfs/dbraw/zinc/13/57/49/991135749.db2.gz MGMNWYNPIACBIN-MOPGFXCFSA-N 0 1 387.524 3.039 20 0 GGADMN COc1ccccc1-c1ncc(C[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cn1 ZINC001599695433 991142189 /nfs/dbraw/zinc/14/21/89/991142189.db2.gz VBERXZLGJGQDCB-UHFFFAOYSA-N 0 1 393.443 3.248 20 0 GGADMN COc1ccccc1-c1ncc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cn1 ZINC001599695433 991142196 /nfs/dbraw/zinc/14/21/96/991142196.db2.gz VBERXZLGJGQDCB-UHFFFAOYSA-N 0 1 393.443 3.248 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001590981603 991142958 /nfs/dbraw/zinc/14/29/58/991142958.db2.gz YJBICZYPLTWQEL-OAQYLSRUSA-N 0 1 397.519 3.383 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)[NH2+]CCOc2ccccc2C(=O)[O-])n1 ZINC001599695689 991146135 /nfs/dbraw/zinc/14/61/35/991146135.db2.gz CJBBJRQFSFBJGI-ZDUSSCGKSA-N 0 1 383.404 3.173 20 0 GGADMN CC(C)[C@@H](CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001590982452 991151139 /nfs/dbraw/zinc/15/11/39/991151139.db2.gz ODHTYZOXFGYTLY-YPAWHYETSA-N 0 1 394.515 3.343 20 0 GGADMN CC(C)[C@H](CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001590982449 991151347 /nfs/dbraw/zinc/15/13/47/991151347.db2.gz ODHTYZOXFGYTLY-BHDDXSALSA-N 0 1 394.515 3.343 20 0 GGADMN COc1ccccc1[C@@H](CNc1cc(C(=O)[O-])cc[nH+]1)NC(=O)OC(C)(C)C ZINC001599697655 991172429 /nfs/dbraw/zinc/17/24/29/991172429.db2.gz HSTSLOWRHQDXMU-OAHLLOKOSA-N 0 1 387.436 3.466 20 0 GGADMN COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001599698488 991184123 /nfs/dbraw/zinc/18/41/23/991184123.db2.gz NUZHOEDNKCHFDP-WZGPROSRSA-N 0 1 388.508 3.180 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001598299722 991240079 /nfs/dbraw/zinc/24/00/79/991240079.db2.gz YNKIPXXKACYNHV-KRWDZBQOSA-N 0 1 388.512 3.369 20 0 GGADMN CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591008430 991276655 /nfs/dbraw/zinc/27/66/55/991276655.db2.gz YNRFNIKIMNFZDE-HKUYNNGSSA-N 0 1 389.540 3.339 20 0 GGADMN COc1ccccc1/C=C/C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599704940 991279004 /nfs/dbraw/zinc/27/90/04/991279004.db2.gz CJTFZCNWJPNMBZ-JEJOPICUSA-N 0 1 390.480 3.104 20 0 GGADMN CC(C)[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@H](O)c1ccc(Cl)cc1 ZINC001591023987 991310276 /nfs/dbraw/zinc/31/02/76/991310276.db2.gz FAPOFETWJSQQCD-VQTJNVASSA-N 0 1 382.932 3.317 20 0 GGADMN CN(C)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)cn1 ZINC001598318001 991310745 /nfs/dbraw/zinc/31/07/45/991310745.db2.gz UFZVBMGYKLDFDT-INIZCTEOSA-N 0 1 378.270 3.168 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599709671 991350070 /nfs/dbraw/zinc/35/00/70/991350070.db2.gz ABIQFGCXWQTSEI-GOSISDBHSA-N 0 1 382.460 3.347 20 0 GGADMN COc1ccccc1COC1CC[NH+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001599712602 991397271 /nfs/dbraw/zinc/39/72/71/991397271.db2.gz IBHPELVWZSXVTB-UHFFFAOYSA-N 0 1 398.459 3.013 20 0 GGADMN COc1ccccc1N1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])C1=O ZINC001599713430 991410314 /nfs/dbraw/zinc/41/03/14/991410314.db2.gz IXIDWGYCVASHJB-LPHOPBHVSA-N 0 1 382.460 3.023 20 0 GGADMN COc1ccccc1N1CC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC001599713434 991410359 /nfs/dbraw/zinc/41/03/59/991410359.db2.gz IXIDWGYCVASHJB-VQIMIIECSA-N 0 1 382.460 3.023 20 0 GGADMN COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599714224 991425381 /nfs/dbraw/zinc/42/53/81/991425381.db2.gz DYIKYEAKJCPZGG-GUYCJALGSA-N 0 1 382.416 3.054 20 0 GGADMN COc1ccccc1Nc1ccccc1C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1 ZINC001599715675 991450567 /nfs/dbraw/zinc/45/05/67/991450567.db2.gz KPWSBGWGPXOHRW-MRXNPFEDSA-N 0 1 397.475 3.060 20 0 GGADMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001599716038 991456473 /nfs/dbraw/zinc/45/64/73/991456473.db2.gz YJBFNQRROZVCJH-KRWDZBQOSA-N 0 1 398.459 3.009 20 0 GGADMN CN(C)c1nc2c(s1)C[N@@H+]([C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC001598354563 991470566 /nfs/dbraw/zinc/47/05/66/991470566.db2.gz MJGPMFPNIZPUBW-CQSZACIVSA-N 0 1 385.411 3.412 20 0 GGADMN CN(C)c1nc2c(s1)C[N@H+]([C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC001598354563 991470569 /nfs/dbraw/zinc/47/05/69/991470569.db2.gz MJGPMFPNIZPUBW-CQSZACIVSA-N 0 1 385.411 3.412 20 0 GGADMN CN(C)c1nc2c(s1)C[N@@H+]([C@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC001598354562 991470721 /nfs/dbraw/zinc/47/07/21/991470721.db2.gz MJGPMFPNIZPUBW-AWEZNQCLSA-N 0 1 385.411 3.412 20 0 GGADMN CN(C)c1nc2c(s1)C[N@H+]([C@H](C(=O)[O-])c1ccccc1C(F)(F)F)CC2 ZINC001598354562 991470726 /nfs/dbraw/zinc/47/07/26/991470726.db2.gz MJGPMFPNIZPUBW-AWEZNQCLSA-N 0 1 385.411 3.412 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC[N@H+]1Cc1ccccc1 ZINC001591093416 991659249 /nfs/dbraw/zinc/65/92/49/991659249.db2.gz UEJXBJJSZRODRF-SFHVURJKSA-N 0 1 382.464 3.154 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001591093673 991661944 /nfs/dbraw/zinc/66/19/44/991661944.db2.gz YHAZTBUDIQYURP-PMACEKPBSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC001591093661 991662139 /nfs/dbraw/zinc/66/21/39/991662139.db2.gz YAMFJVVPUSTUTB-IBGZPJMESA-N 0 1 396.491 3.083 20 0 GGADMN COc1c[nH+]ccc1N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC001599728086 991663393 /nfs/dbraw/zinc/66/33/93/991663393.db2.gz GUSPFKNMPJDVDP-UHFFFAOYSA-N 0 1 383.473 3.325 20 0 GGADMN C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598397230 991669477 /nfs/dbraw/zinc/66/94/77/991669477.db2.gz UAVKQONDPAGDBI-UHFFFAOYSA-N 0 1 385.370 3.282 20 0 GGADMN C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598397230 991669482 /nfs/dbraw/zinc/66/94/82/991669482.db2.gz UAVKQONDPAGDBI-UHFFFAOYSA-N 0 1 385.370 3.282 20 0 GGADMN C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001598399425 991682034 /nfs/dbraw/zinc/68/20/34/991682034.db2.gz HECAUOXNHKQBLC-IRXDYDNUSA-N 0 1 387.505 3.367 20 0 GGADMN CC(C)[C@@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001591096451 991686703 /nfs/dbraw/zinc/68/67/03/991686703.db2.gz DSDKDQBTHLXXGZ-NRFANRHFSA-N 0 1 395.503 3.166 20 0 GGADMN C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC001598400231 991690576 /nfs/dbraw/zinc/69/05/76/991690576.db2.gz SLFOIZGOZMKTAF-UHFFFAOYSA-N 0 1 388.367 3.415 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC001598400231 991690578 /nfs/dbraw/zinc/69/05/78/991690578.db2.gz SLFOIZGOZMKTAF-UHFFFAOYSA-N 0 1 388.367 3.415 20 0 GGADMN CC(C)[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCCO1 ZINC001591096655 991691620 /nfs/dbraw/zinc/69/16/20/991691620.db2.gz NUHSPUUTQJPUBV-CQSZACIVSA-N 0 1 380.510 3.011 20 0 GGADMN CC(C)[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCCO1 ZINC001591096655 991691621 /nfs/dbraw/zinc/69/16/21/991691621.db2.gz NUHSPUUTQJPUBV-CQSZACIVSA-N 0 1 380.510 3.011 20 0 GGADMN C[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598401123 991696588 /nfs/dbraw/zinc/69/65/88/991696588.db2.gz VOAQDCWKWAIGDH-UHFFFAOYSA-N 0 1 378.428 3.374 20 0 GGADMN C[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598401123 991696595 /nfs/dbraw/zinc/69/65/95/991696595.db2.gz VOAQDCWKWAIGDH-UHFFFAOYSA-N 0 1 378.428 3.374 20 0 GGADMN CC(C)CC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001591106794 991742427 /nfs/dbraw/zinc/74/24/27/991742427.db2.gz QVTHLNCXYXXMBR-KRWDZBQOSA-N 0 1 386.414 3.412 20 0 GGADMN CC(C)CC(=O)N1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001591106794 991742437 /nfs/dbraw/zinc/74/24/37/991742437.db2.gz QVTHLNCXYXXMBR-KRWDZBQOSA-N 0 1 386.414 3.412 20 0 GGADMN C[N@@H+](CC(C)(C)CN1CCOCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598423609 991762285 /nfs/dbraw/zinc/76/22/85/991762285.db2.gz KFXGLLQGHOXWAH-MRXNPFEDSA-N 0 1 389.323 3.409 20 0 GGADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001591121435 991795305 /nfs/dbraw/zinc/79/53/05/991795305.db2.gz WLZHDJMXRJBVDC-JHJVBQTASA-N 0 1 382.423 3.263 20 0 GGADMN C[N@@H+](C[C@H](O)CC1(CO)CCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598432054 991795357 /nfs/dbraw/zinc/79/53/57/991795357.db2.gz AJGDAXQCIRBCFS-CZUORRHYSA-N 0 1 390.307 3.355 20 0 GGADMN C[N@@H+](C[C@H](O)CC1(O)CCCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598433544 991811624 /nfs/dbraw/zinc/81/16/24/991811624.db2.gz VFRSBDIIYLWJQB-IUODEOHRSA-N 0 1 376.280 3.107 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598436364 991829118 /nfs/dbraw/zinc/82/91/18/991829118.db2.gz MGFDLRWFZKZACN-WBVHZDCISA-N 0 1 384.259 3.491 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1C(=O)[O-] ZINC001599740302 991839733 /nfs/dbraw/zinc/83/97/33/991839733.db2.gz NMJNAQAUMJKKGF-UONOGXRCSA-N 0 1 380.441 3.077 20 0 GGADMN COc1nsc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C(=O)[O-] ZINC001599740469 991845106 /nfs/dbraw/zinc/84/51/06/991845106.db2.gz UFUCQNLISPORHK-AWEZNQCLSA-N 0 1 381.542 3.326 20 0 GGADMN COc1nsc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C(=O)[O-] ZINC001599740469 991845112 /nfs/dbraw/zinc/84/51/12/991845112.db2.gz UFUCQNLISPORHK-AWEZNQCLSA-N 0 1 381.542 3.326 20 0 GGADMN COc1nsc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1C(=O)[O-] ZINC001599740650 991848371 /nfs/dbraw/zinc/84/83/71/991848371.db2.gz AUNURCUWNRRMCB-UHFFFAOYSA-N 0 1 390.383 3.423 20 0 GGADMN COc1nsc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1C(=O)[O-] ZINC001599740650 991848378 /nfs/dbraw/zinc/84/83/78/991848378.db2.gz AUNURCUWNRRMCB-UHFFFAOYSA-N 0 1 390.383 3.423 20 0 GGADMN COc1nsc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC001599740780 991850790 /nfs/dbraw/zinc/85/07/90/991850790.db2.gz HTBYNUJPKGRQNS-UHFFFAOYSA-N 0 1 390.383 3.380 20 0 GGADMN COc1nsc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1C(=O)[O-] ZINC001599741428 991863027 /nfs/dbraw/zinc/86/30/27/991863027.db2.gz WIXNEWCPIATTEU-UHFFFAOYSA-N 0 1 383.473 3.490 20 0 GGADMN COc1nsc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1C(=O)[O-] ZINC001599741428 991863030 /nfs/dbraw/zinc/86/30/30/991863030.db2.gz WIXNEWCPIATTEU-UHFFFAOYSA-N 0 1 383.473 3.490 20 0 GGADMN C[N@@H+](C[C@@]1(O)CCc2ccccc21)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598443892 991873981 /nfs/dbraw/zinc/87/39/81/991873981.db2.gz LOGYDVALZOXUPR-HKUYNNGSSA-N 0 1 390.277 3.341 20 0 GGADMN C[N@@H+](CC1CCC2(CC1)OCCO2)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598453750 991919507 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QZZCOEHLWYYLOD-RTWAWAEBSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001591170804 991957360 /nfs/dbraw/zinc/95/73/60/991957360.db2.gz QZZCOEHLWYYLOD-RTWAWAEBSA-N 0 1 380.488 3.250 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1)C(=O)OC(C)(C)C ZINC001598463154 991969476 /nfs/dbraw/zinc/96/94/76/991969476.db2.gz VGKLZNQVLNXXKR-OAHLLOKOSA-N 0 1 391.512 3.211 20 0 GGADMN CC(C)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591178927 991979482 /nfs/dbraw/zinc/97/94/82/991979482.db2.gz YJLAUZCHIBJTDC-WBVHZDCISA-N 0 1 381.904 3.085 20 0 GGADMN C[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598468101 991982381 /nfs/dbraw/zinc/98/23/81/991982381.db2.gz SLXBNWJYSBOKKD-OAHLLOKOSA-N 0 1 388.386 3.028 20 0 GGADMN CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599751345 991995145 /nfs/dbraw/zinc/99/51/45/991995145.db2.gz ZDMSCXAEFAMYCL-OAHLLOKOSA-N 0 1 391.489 3.434 20 0 GGADMN CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599751345 991995154 /nfs/dbraw/zinc/99/51/54/991995154.db2.gz ZDMSCXAEFAMYCL-OAHLLOKOSA-N 0 1 391.489 3.434 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)C1CCCCC1 ZINC001598469359 992000832 /nfs/dbraw/zinc/00/08/32/992000832.db2.gz BZJGCGXKOMSYRL-UHFFFAOYSA-N 0 1 376.453 3.139 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598469398 992001030 /nfs/dbraw/zinc/00/10/30/992001030.db2.gz GJPFVSKJBCSPGD-UHFFFAOYSA-N 0 1 392.253 3.003 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598469407 992001260 /nfs/dbraw/zinc/00/12/60/992001260.db2.gz GYTKVGQPZCEVEP-UHFFFAOYSA-N 0 1 376.840 3.264 20 0 GGADMN C[N@@H+](CCC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C1CCCCC1 ZINC001598469607 992004948 /nfs/dbraw/zinc/00/49/48/992004948.db2.gz OSCKZDJKUUPHIF-UHFFFAOYSA-N 0 1 376.482 3.430 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001598472474 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SMOUZDOCFFBLCM-CYBMUJFWSA-N 0 1 383.514 3.278 20 0 GGADMN CN(C(=O)C[N@H+](C)CCCOc1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC001598481828 992164594 /nfs/dbraw/zinc/16/45/94/992164594.db2.gz IIMOOMXWJMFVST-UHFFFAOYSA-N 0 1 390.867 3.402 20 0 GGADMN CN(C(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC001598481828 992164602 /nfs/dbraw/zinc/16/46/02/992164602.db2.gz IIMOOMXWJMFVST-UHFFFAOYSA-N 0 1 390.867 3.402 20 0 GGADMN CN(CCCOc1ccccc1)C(=O)C[N@@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001598482177 992171176 /nfs/dbraw/zinc/17/11/76/992171176.db2.gz GWNCIGDVQGTQFJ-SFTDATJTSA-N 0 1 396.487 3.204 20 0 GGADMN CN(CCCOc1ccccc1)C(=O)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001598482177 992171184 /nfs/dbraw/zinc/17/11/84/992171184.db2.gz GWNCIGDVQGTQFJ-SFTDATJTSA-N 0 1 396.487 3.204 20 0 GGADMN C[N@@H+](CCCOc1ccccc1CNc1nccnc1C(=O)[O-])C1CCCC1 ZINC001598482775 992178271 /nfs/dbraw/zinc/17/82/71/992178271.db2.gz CQZFMZACLDKQBR-UHFFFAOYSA-N 0 1 384.480 3.430 20 0 GGADMN C[N@@H+](CCN(Cc1ccccc1)c1cnc(C(=O)[O-])cn1)Cc1ccccc1 ZINC001598487219 992220516 /nfs/dbraw/zinc/22/05/16/992220516.db2.gz FPHGLIFRCZGHRB-UHFFFAOYSA-N 0 1 376.460 3.313 20 0 GGADMN C[N@@H+](CCN(Cc1ccccc1)C(=O)c1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC001598487238 992221715 /nfs/dbraw/zinc/22/17/15/992221715.db2.gz GLMRPJOYMIGUMT-UHFFFAOYSA-N 0 1 391.471 3.487 20 0 GGADMN CC(C)CN(C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)(C)C(=O)[O-] ZINC001591285531 992224243 /nfs/dbraw/zinc/22/42/43/992224243.db2.gz WCDYGXQOOUTEAJ-IAGOWNOFSA-N 0 1 390.524 3.257 20 0 GGADMN C[N@@H+](CCN(Cc1ccccc1)c1cc(C(=O)[O-])ncn1)Cc1ccccc1 ZINC001598487647 992229349 /nfs/dbraw/zinc/22/93/49/992229349.db2.gz ZCUNCBIEXYTFJS-UHFFFAOYSA-N 0 1 376.460 3.313 20 0 GGADMN CC(C)C[N@@H+](C)CCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591287446 992231078 /nfs/dbraw/zinc/23/10/78/992231078.db2.gz SGJGJEQJLDZUIM-UHFFFAOYSA-N 0 1 376.501 3.084 20 0 GGADMN CC(C)C[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCCC1 ZINC001591290161 992236872 /nfs/dbraw/zinc/23/68/72/992236872.db2.gz ZGXYSTBMQWWPNY-HXUWFJFHSA-N 0 1 385.508 3.180 20 0 GGADMN CC(C)C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCCC1 ZINC001591290160 992237028 /nfs/dbraw/zinc/23/70/28/992237028.db2.gz ZGXYSTBMQWWPNY-FQEVSTJZSA-N 0 1 385.508 3.180 20 0 GGADMN CC(C)C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCCc2cccnc21 ZINC001591290716 992237912 /nfs/dbraw/zinc/23/79/12/992237912.db2.gz DBODUEITYHPALK-KRWDZBQOSA-N 0 1 382.464 3.149 20 0 GGADMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598488346 992244455 /nfs/dbraw/zinc/24/44/55/992244455.db2.gz VJSKPIQJMOHYTR-FQEVSTJZSA-N 0 1 387.911 3.220 20 0 GGADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(I)c(Cl)c1 ZINC001591303455 992252375 /nfs/dbraw/zinc/25/23/75/992252375.db2.gz XYGZUBJOWBTNHK-UHFFFAOYSA-N 0 1 381.641 3.487 20 0 GGADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1c(F)ccc(I)c1F ZINC001591304833 992258062 /nfs/dbraw/zinc/25/80/62/992258062.db2.gz LYQWTFWGXWQCFJ-UHFFFAOYSA-N 0 1 383.176 3.112 20 0 GGADMN C[S@](=O)C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1ccccc1 ZINC001599775753 992299777 /nfs/dbraw/zinc/29/97/77/992299777.db2.gz RNPZRTYGBGCOBF-SYJLOODJSA-N 0 1 396.306 3.284 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CCC(=O)Nc1ccc(Br)cc1F ZINC001591331164 992301783 /nfs/dbraw/zinc/30/17/83/992301783.db2.gz DCHXOWBRJNKPQU-UHFFFAOYSA-N 0 1 389.265 3.350 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCCC1 ZINC001598492728 992322024 /nfs/dbraw/zinc/32/20/24/992322024.db2.gz SIAMXWWVSLLTRU-UHFFFAOYSA-N 0 1 379.526 3.390 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598492968 992327996 /nfs/dbraw/zinc/32/79/96/992327996.db2.gz VGGQSDBLAOQHEM-CYBMUJFWSA-N 0 1 376.375 3.288 20 0 GGADMN CC(C)C[N@@H+](Cn1nc(-c2cccnc2)n(C)c1=S)CC(C)(C)C(=O)[O-] ZINC001591349347 992334803 /nfs/dbraw/zinc/33/48/03/992334803.db2.gz KDSBZGJOGSRRGE-UHFFFAOYSA-N 0 1 377.514 3.039 20 0 GGADMN CC(C)C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)CC(C)(C)C(=O)[O-] ZINC001591349955 992338709 /nfs/dbraw/zinc/33/87/09/992338709.db2.gz XSPZZBHZFJYHDS-UHFFFAOYSA-N 0 1 389.521 3.478 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001591357015 992352202 /nfs/dbraw/zinc/35/22/02/992352202.db2.gz QHGNJZVCMWZWRT-OAHLLOKOSA-N 0 1 377.485 3.271 20 0 GGADMN CS(C)(=O)=NCC1CC[NH+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001599781795 992374138 /nfs/dbraw/zinc/37/41/38/992374138.db2.gz WJDXQDLVHPABSY-OAHLLOKOSA-N 0 1 376.881 3.044 20 0 GGADMN Cn1cc(Br)cc1C[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001598498646 992398005 /nfs/dbraw/zinc/39/80/05/992398005.db2.gz FQJCXKWRNAYILV-YVMONPNESA-N 0 1 393.281 3.396 20 0 GGADMN C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001598498914 992402645 /nfs/dbraw/zinc/40/26/45/992402645.db2.gz WCVBNQMOHOEZLN-UHFFFAOYSA-N 0 1 396.365 3.353 20 0 GGADMN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001598498914 992402650 /nfs/dbraw/zinc/40/26/50/992402650.db2.gz WCVBNQMOHOEZLN-UHFFFAOYSA-N 0 1 396.365 3.353 20 0 GGADMN C[N@H+](CC[S@@](=O)C(F)(F)F)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598499340 992410171 /nfs/dbraw/zinc/41/01/71/992410171.db2.gz RBFFOWZHNSJTQK-MLMJSJRWSA-N 0 1 378.199 3.319 20 0 GGADMN C[N@@H+](CC[S@@](=O)C(F)(F)F)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598499340 992410176 /nfs/dbraw/zinc/41/01/76/992410176.db2.gz RBFFOWZHNSJTQK-MLMJSJRWSA-N 0 1 378.199 3.319 20 0 GGADMN C[N@H+](CCOc1ccccc1C(C)(C)C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001598499807 992418849 /nfs/dbraw/zinc/41/88/49/992418849.db2.gz NODHHEUWAQUGJQ-UHFFFAOYSA-N 0 1 390.524 3.198 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(C)(C)C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001598499807 992418851 /nfs/dbraw/zinc/41/88/51/992418851.db2.gz NODHHEUWAQUGJQ-UHFFFAOYSA-N 0 1 390.524 3.198 20 0 GGADMN C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001598500026 992422687 /nfs/dbraw/zinc/42/26/87/992422687.db2.gz APBIHXOIRNQJTJ-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001598500026 992422688 /nfs/dbraw/zinc/42/26/88/992422688.db2.gz APBIHXOIRNQJTJ-UHFFFAOYSA-N 0 1 391.265 3.260 20 0 GGADMN C[N@@H+](CCS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)Cc1ccccc1 ZINC001598500749 992433214 /nfs/dbraw/zinc/43/32/14/992433214.db2.gz WHSPFRPLQYAVRU-MRXNPFEDSA-N 0 1 390.530 3.417 20 0 GGADMN C[N@@H+](CCc1ccccc1)CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001598501036 992435807 /nfs/dbraw/zinc/43/58/07/992435807.db2.gz BGTAXNUVALIFJZ-QFIPXVFZSA-N 0 1 376.456 3.256 20 0 GGADMN CC(C)COC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001591384906 992436528 /nfs/dbraw/zinc/43/65/28/992436528.db2.gz XXFWQNFJLFRAAM-OAHLLOKOSA-N 0 1 388.386 3.241 20 0 GGADMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC001598502102 992448835 /nfs/dbraw/zinc/44/88/35/992448835.db2.gz PTWFPAPFKADERS-KRWDZBQOSA-N 0 1 386.879 3.427 20 0 GGADMN C[N@H+](CCc1ccccc1)CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001598502406 992450941 /nfs/dbraw/zinc/45/09/41/992450941.db2.gz XXDOMHYIBJGRQC-UHFFFAOYSA-N 0 1 375.494 3.252 20 0 GGADMN C[N@@H+](CCc1ccccc1)CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001598502406 992450944 /nfs/dbraw/zinc/45/09/44/992450944.db2.gz XXDOMHYIBJGRQC-UHFFFAOYSA-N 0 1 375.494 3.252 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001598503797 992472087 /nfs/dbraw/zinc/47/20/87/992472087.db2.gz XGSAUNWDPPEDOJ-SLFFLAALSA-N 0 1 387.524 3.326 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598503932 992474335 /nfs/dbraw/zinc/47/43/35/992474335.db2.gz ZOQHOHWKTAGRAE-KRWDZBQOSA-N 0 1 382.464 3.298 20 0 GGADMN C[N@@H+](CCn1cc(Cl)cn1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598503987 992475650 /nfs/dbraw/zinc/47/56/50/992475650.db2.gz NOOOBUHXDOARJS-NSHDSACASA-N 0 1 378.679 3.118 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])CC(C)(C)CN1CCOCC1 ZINC001598506180 992506027 /nfs/dbraw/zinc/50/60/27/992506027.db2.gz YDAFONDBWQZIDW-UHFFFAOYSA-N 0 1 376.522 3.390 20 0 GGADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1Br)C[C@](C)(O)c1ccccc1 ZINC001598506700 992511956 /nfs/dbraw/zinc/51/19/56/992511956.db2.gz FRLCEEPNVMJDGC-SFHVURJKSA-N 0 1 378.266 3.487 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001598507110 992519219 /nfs/dbraw/zinc/51/92/19/992519219.db2.gz HSUOHBNAZVFSJT-YLQAJVPDSA-N 0 1 385.291 3.137 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001591441667 992536606 /nfs/dbraw/zinc/53/66/06/992536606.db2.gz HJDSMABPLOBSGH-WOJBJXKFSA-N 0 1 395.503 3.190 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001591441653 992536956 /nfs/dbraw/zinc/53/69/56/992536956.db2.gz GHHCCSQWUWMDQB-TZIWHRDSSA-N 0 1 395.503 3.190 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](O)c1ccccc1Br ZINC001598509195 992546757 /nfs/dbraw/zinc/54/67/57/992546757.db2.gz HKRTXGPUJMQBHF-INIZCTEOSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1C(F)(F)F)CC(C)(C)CN1CCOCC1 ZINC001598513375 992589298 /nfs/dbraw/zinc/58/92/98/992589298.db2.gz IWDMLNFUZTXXLM-UHFFFAOYSA-N 0 1 388.430 3.194 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001598515407 992611978 /nfs/dbraw/zinc/61/19/78/992611978.db2.gz HXGZPYVPBOCHLZ-OAHLLOKOSA-N 0 1 377.485 3.249 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001598517380 992632757 /nfs/dbraw/zinc/63/27/57/992632757.db2.gz HHCDWGHMYIBVMP-KKUMJFAQSA-N 0 1 384.929 3.325 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001598518865 992654010 /nfs/dbraw/zinc/65/40/10/992654010.db2.gz DLAPNAWALMDYFY-HNNXBMFYSA-N 0 1 398.450 3.069 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001598523590 992690264 /nfs/dbraw/zinc/69/02/64/992690264.db2.gz JCCCWCDRVREOKH-DLBZAZTESA-N 0 1 392.496 3.275 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001598523589 992690382 /nfs/dbraw/zinc/69/03/82/992690382.db2.gz JAPUIRFJLUGTEX-UHFFFAOYSA-N 0 1 380.485 3.133 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001598523820 992693500 /nfs/dbraw/zinc/69/35/00/992693500.db2.gz PHMMGQBJIRNXIH-SFHVURJKSA-N 0 1 388.851 3.041 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001598523820 992693506 /nfs/dbraw/zinc/69/35/06/992693506.db2.gz PHMMGQBJIRNXIH-SFHVURJKSA-N 0 1 388.851 3.041 20 0 GGADMN Cn1c2ccc(F)cc2c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1C(=O)[O-] ZINC001598524445 992701259 /nfs/dbraw/zinc/70/12/59/992701259.db2.gz ACTMAZQTRWECAF-MHZLTWQESA-N 0 1 388.464 3.385 20 0 GGADMN C[N@@H+](Cc1ccc2nc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)sc2c1)C1CC1 ZINC001598524439 992701570 /nfs/dbraw/zinc/70/15/70/992701570.db2.gz HDHUMLILZGEHDM-IBGZPJMESA-N 0 1 388.493 3.219 20 0 GGADMN C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598525949 992721325 /nfs/dbraw/zinc/72/13/25/992721325.db2.gz ZAUCQTIJYWDQHI-MRXNPFEDSA-N 0 1 378.222 3.436 20 0 GGADMN C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1(CC(=O)[O-])CC1 ZINC001598526540 992726810 /nfs/dbraw/zinc/72/68/10/992726810.db2.gz IRKHCVRKMZUSQI-UHFFFAOYSA-N 0 1 388.489 3.174 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CC1 ZINC001598527072 992733416 /nfs/dbraw/zinc/73/34/16/992733416.db2.gz OGJWRQPZFADYQO-IMSXRSKXSA-N 0 1 392.499 3.272 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2cccc(C(=O)[O-])c2)CCOCC1 ZINC001598527613 992740529 /nfs/dbraw/zinc/74/05/29/992740529.db2.gz WBEDJGHFXLOKJU-UHFFFAOYSA-N 0 1 397.475 3.188 20 0 GGADMN C[N@@H+](Cc1cccc(C(=O)[O-])n1)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001598527657 992741324 /nfs/dbraw/zinc/74/13/24/992741324.db2.gz PWIUEGUIURORBN-UHFFFAOYSA-N 0 1 377.485 3.439 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001598527772 992742422 /nfs/dbraw/zinc/74/24/22/992742422.db2.gz ULSPSGUODNLGCJ-UHFFFAOYSA-N 0 1 394.397 3.294 20 0 GGADMN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001591555362 992747334 /nfs/dbraw/zinc/74/73/34/992747334.db2.gz FMCPXFRKHGQRMP-LLVKDONJSA-N 0 1 391.390 3.176 20 0 GGADMN Cn1nccc1[C@H](NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001598528505 992747442 /nfs/dbraw/zinc/74/74/42/992747442.db2.gz CTXWNIGMMURBNG-IRLDBZIGSA-N 0 1 392.503 3.051 20 0 GGADMN Cn1nccc1[C@@H](NC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001598528506 992747690 /nfs/dbraw/zinc/74/76/90/992747690.db2.gz CTXWNIGMMURBNG-RBBKRZOGSA-N 0 1 392.503 3.051 20 0 GGADMN C[N@H+](Cc1ccccc1)C[C@@H](CN1CCOC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001598528539 992749594 /nfs/dbraw/zinc/74/95/94/992749594.db2.gz FFOHKAZGEXFJFT-FCHUYYIVSA-N 0 1 382.504 3.078 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC001598528704 992749622 /nfs/dbraw/zinc/74/96/22/992749622.db2.gz IMCXKJLETVJGQH-UHFFFAOYSA-N 0 1 381.476 3.397 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001598528711 992751191 /nfs/dbraw/zinc/75/11/91/992751191.db2.gz IWARAGSPCQXZJJ-UHFFFAOYSA-N 0 1 390.509 3.192 20 0 GGADMN C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Br)cc(C(=O)[O-])c1 ZINC001598528725 992751473 /nfs/dbraw/zinc/75/14/73/992751473.db2.gz JYOVZLDDZCYUBA-MRXNPFEDSA-N 0 1 394.265 3.019 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001598529005 992753587 /nfs/dbraw/zinc/75/35/87/992753587.db2.gz RSFUDHGNALIUMU-CQSZACIVSA-N 0 1 393.281 3.447 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001598529003 992754103 /nfs/dbraw/zinc/75/41/03/992754103.db2.gz RSFUDHGNALIUMU-AWEZNQCLSA-N 0 1 393.281 3.447 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001598529142 992757064 /nfs/dbraw/zinc/75/70/64/992757064.db2.gz VRXUMZMJUPYKGC-UHFFFAOYSA-N 0 1 382.464 3.156 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001598529258 992758487 /nfs/dbraw/zinc/75/84/87/992758487.db2.gz YBRVZUBDVVZCNM-HNNXBMFYSA-N 0 1 389.402 3.401 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1F ZINC001591560709 992758492 /nfs/dbraw/zinc/75/84/92/992758492.db2.gz FGANRINGINYEKI-FQEVSTJZSA-N 0 1 379.476 3.186 20 0 GGADMN Cn1ncc(C(=O)[O-])c1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001598529402 992759759 /nfs/dbraw/zinc/75/97/59/992759759.db2.gz HTXYJDSWGLDULT-UHFFFAOYSA-N 0 1 399.495 3.205 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1F ZINC001591560934 992760362 /nfs/dbraw/zinc/76/03/62/992760362.db2.gz SQSKNCHEGDHEFH-MRXNPFEDSA-N 0 1 379.476 3.328 20 0 GGADMN CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001591561484 992765311 /nfs/dbraw/zinc/76/53/11/992765311.db2.gz VPCIBRONEUSEAD-BXUZGUMPSA-N 0 1 394.340 3.320 20 0 GGADMN C[N@@H+](Cc1ccccc1NS(=O)(=O)CC(C)(C)C(=O)[O-])C1CCCCC1 ZINC001598530587 992775134 /nfs/dbraw/zinc/77/51/34/992775134.db2.gz MTUFUGFOGFFISW-UHFFFAOYSA-N 0 1 382.526 3.304 20 0 GGADMN C[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)[C@H]1CCN(c2ccccc2F)C1=O ZINC001598531215 992783591 /nfs/dbraw/zinc/78/35/91/992783591.db2.gz BVVKRIRNEDXZJX-IBGZPJMESA-N 0 1 393.418 3.309 20 0 GGADMN CN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001598536767 992848256 /nfs/dbraw/zinc/84/82/56/992848256.db2.gz DZUPHLGJVLYIEU-KRWDZBQOSA-N 0 1 378.476 3.215 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001591622527 992889569 /nfs/dbraw/zinc/88/95/69/992889569.db2.gz DKURRRKDMLNQJL-WMLDXEAASA-N 0 1 393.846 3.459 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001591622527 992889579 /nfs/dbraw/zinc/88/95/79/992889579.db2.gz DKURRRKDMLNQJL-WMLDXEAASA-N 0 1 393.846 3.459 20 0 GGADMN C[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(C)(C)CC(=O)[O-] ZINC001598540441 992893806 /nfs/dbraw/zinc/89/38/06/992893806.db2.gz CIZLMQRQLWFCOO-UHFFFAOYSA-N 0 1 391.781 3.020 20 0 GGADMN C[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(C)(C)CC(=O)[O-] ZINC001598540441 992893816 /nfs/dbraw/zinc/89/38/16/992893816.db2.gz CIZLMQRQLWFCOO-UHFFFAOYSA-N 0 1 391.781 3.020 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2Br)CC1 ZINC001591629030 992916340 /nfs/dbraw/zinc/91/63/40/992916340.db2.gz DUOQAKYPXUMGBX-UHFFFAOYSA-N 0 1 384.274 3.095 20 0 GGADMN CC(C)[N@H+]1CCCC[C@H]1CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001591629828 992927689 /nfs/dbraw/zinc/92/76/89/992927689.db2.gz VKEYVBODNAQKQH-PMACEKPBSA-N 0 1 393.959 3.346 20 0 GGADMN CC(C)[N@H+]1CCCC[C@H]1CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001591629830 992927842 /nfs/dbraw/zinc/92/78/42/992927842.db2.gz VKEYVBODNAQKQH-VQTJNVASSA-N 0 1 393.959 3.346 20 0 GGADMN CC(C)[N@H+]1CCCC[C@@H]1CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001591629829 992928297 /nfs/dbraw/zinc/92/82/97/992928297.db2.gz VKEYVBODNAQKQH-UXHICEINSA-N 0 1 393.959 3.346 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001591634665 992941071 /nfs/dbraw/zinc/94/10/71/992941071.db2.gz BHXNPRIVHLILOM-UHFFFAOYSA-N 0 1 397.519 3.312 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)C1 ZINC001591635873 992945957 /nfs/dbraw/zinc/94/59/57/992945957.db2.gz SVKYRFWHKMZEPF-INIZCTEOSA-N 0 1 397.519 3.262 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)C1 ZINC001591635845 992946204 /nfs/dbraw/zinc/94/62/04/992946204.db2.gz RJEMAJBYYBCZRS-HSZRJFAPSA-N 0 1 397.519 3.167 20 0 GGADMN CC(C)[N@@H+]1CCc2nc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)sc2C1 ZINC001591635640 992946430 /nfs/dbraw/zinc/94/64/30/992946430.db2.gz PMWQCAZEJJLOLY-UHFFFAOYSA-N 0 1 377.510 3.273 20 0 GGADMN CC(C)[N@H+]1CCc2nc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)sc2C1 ZINC001591635640 992946435 /nfs/dbraw/zinc/94/64/35/992946435.db2.gz PMWQCAZEJJLOLY-UHFFFAOYSA-N 0 1 377.510 3.273 20 0 GGADMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC001591656932 992983856 /nfs/dbraw/zinc/98/38/56/992983856.db2.gz DPAAUPOFHLJQSY-LBPRGKRZSA-N 0 1 378.469 3.475 20 0 GGADMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001591657168 992987851 /nfs/dbraw/zinc/98/78/51/992987851.db2.gz IYPXGBZCLYYPKY-MRXNPFEDSA-N 0 1 387.505 3.245 20 0 GGADMN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001591657368 992991211 /nfs/dbraw/zinc/99/12/11/992991211.db2.gz NLXPSGCSSZQIOP-INIZCTEOSA-N 0 1 387.505 3.245 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001598555859 993056206 /nfs/dbraw/zinc/05/62/06/993056206.db2.gz UCIZVZCRRYLTEU-NQIIRXRSSA-N 0 1 391.471 3.211 20 0 GGADMN C[N@H+]1C[C@@]23CN(C(=O)Nc4ccc5c(C(=O)[O-])c[nH]c5c4)C[C@]2(C1)CCCC3 ZINC001598574455 993252369 /nfs/dbraw/zinc/25/23/69/993252369.db2.gz XREXMWDMXDVJMP-OYRHEFFESA-N 0 1 382.464 3.206 20 0 GGADMN C[N@H+]1C[C@@H]2CCN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nc3C(=O)[O-])[C@@H]2C1 ZINC001598574842 993259039 /nfs/dbraw/zinc/25/90/39/993259039.db2.gz LTIRBQJTIJNFDE-MEDUHNTESA-N 0 1 395.290 3.013 20 0 GGADMN C[N@H+]1C[C@H]2CCN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nc3C(=O)[O-])[C@H]2C1 ZINC001598574839 993259675 /nfs/dbraw/zinc/25/96/75/993259675.db2.gz LTIRBQJTIJNFDE-BZNIZROVSA-N 0 1 395.290 3.013 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598583518 993351157 /nfs/dbraw/zinc/35/11/57/993351157.db2.gz CBESBHJQANSMSO-AFIMGQEJSA-N 0 1 396.890 3.479 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)NCCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001598584534 993362760 /nfs/dbraw/zinc/36/27/60/993362760.db2.gz XTWPSNBISMKDSC-KBXCAEBGSA-N 0 1 399.894 3.416 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585428 993375722 /nfs/dbraw/zinc/37/57/22/993375722.db2.gz GSROXBJJHNONPM-RXVVDRJESA-N 0 1 395.434 3.109 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585428 993375724 /nfs/dbraw/zinc/37/57/24/993375724.db2.gz GSROXBJJHNONPM-RXVVDRJESA-N 0 1 395.434 3.109 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001598587089 993401013 /nfs/dbraw/zinc/40/10/13/993401013.db2.gz RTQHEKPXERTVJF-PKOBYXMFSA-N 0 1 389.402 3.159 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001598587089 993401018 /nfs/dbraw/zinc/40/10/18/993401018.db2.gz RTQHEKPXERTVJF-PKOBYXMFSA-N 0 1 389.402 3.159 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001598587101 993401162 /nfs/dbraw/zinc/40/11/62/993401162.db2.gz SBEBKEWYKOOARF-AZUAARDMSA-N 0 1 383.448 3.107 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC001598587336 993404111 /nfs/dbraw/zinc/40/41/11/993404111.db2.gz XJQWMKOWKRYGAP-WBVHZDCISA-N 0 1 393.365 3.369 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC001598587336 993404116 /nfs/dbraw/zinc/40/41/16/993404116.db2.gz XJQWMKOWKRYGAP-WBVHZDCISA-N 0 1 393.365 3.369 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC001598587463 993406020 /nfs/dbraw/zinc/40/60/20/993406020.db2.gz XZKUVSFVYMMASO-SJLPKXTDSA-N 0 1 381.904 3.420 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC001598587463 993406026 /nfs/dbraw/zinc/40/60/26/993406026.db2.gz XZKUVSFVYMMASO-SJLPKXTDSA-N 0 1 381.904 3.420 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2CC(=O)[O-])[C@@H]1c1cccs1 ZINC001598592342 993454285 /nfs/dbraw/zinc/45/42/85/993454285.db2.gz IIAPLJNLBOKABE-YVEFUNNKSA-N 0 1 378.519 3.250 20 0 GGADMN C[N@H+]1CC[C@H]2CN(Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)CC[C@H]21 ZINC001598593047 993464242 /nfs/dbraw/zinc/46/42/42/993464242.db2.gz FRGGJIQIUCWITL-PZJWPPBQSA-N 0 1 380.488 3.490 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001598593431 993468907 /nfs/dbraw/zinc/46/89/07/993468907.db2.gz NZJKUQQWDVDGHM-HNNXBMFYSA-N 0 1 398.463 3.378 20 0 GGADMN C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccnc(C(=O)[O-])c4)cc3)CC[C@@H]21 ZINC001598596235 993509555 /nfs/dbraw/zinc/50/95/55/993509555.db2.gz RWSDLXCFJNQEMB-KUHUBIRLSA-N 0 1 396.447 3.130 20 0 GGADMN C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001598598055 993535021 /nfs/dbraw/zinc/53/50/21/993535021.db2.gz FWOLGBAQUJSUBG-MRXNPFEDSA-N 0 1 387.505 3.389 20 0 GGADMN C[N@@H+]1CCC[C@H]1c1cc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)n[nH]1 ZINC001598598403 993539622 /nfs/dbraw/zinc/53/96/22/993539622.db2.gz NHIMQIUMIHZMMB-IBGZPJMESA-N 0 1 397.479 3.117 20 0 GGADMN C[N@H+]1CCC[C@H]1c1cc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)n[nH]1 ZINC001598598403 993539628 /nfs/dbraw/zinc/53/96/28/993539628.db2.gz NHIMQIUMIHZMMB-IBGZPJMESA-N 0 1 397.479 3.117 20 0 GGADMN C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001598599313 993552688 /nfs/dbraw/zinc/55/26/88/993552688.db2.gz SKOKPIFJGZGYFO-JKSUJKDBSA-N 0 1 397.313 3.346 20 0 GGADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(SCCC(=O)[O-])c3)C2)C1 ZINC001598599553 993556623 /nfs/dbraw/zinc/55/66/23/993556623.db2.gz WKBYJVZXLJCVFB-LJQANCHMSA-N 0 1 377.510 3.203 20 0 GGADMN C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593061539 993569495 /nfs/dbraw/zinc/56/94/95/993569495.db2.gz AMJMKFYXESQILP-CQSZACIVSA-N 0 1 394.541 3.200 20 0 GGADMN COc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CC[C@H](C(=O)[O-])[C@H]3C)cs2)cc1 ZINC001599582546 993570848 /nfs/dbraw/zinc/57/08/48/993570848.db2.gz CEYQUFLWAANRGA-PXAZEXFGSA-N 0 1 389.477 3.131 20 0 GGADMN COc1ccc(N(C(C)=O)c2nc(C[N@H+]3CC[C@H](C(=O)[O-])[C@H]3C)cs2)cc1 ZINC001599582546 993570856 /nfs/dbraw/zinc/57/08/56/993570856.db2.gz CEYQUFLWAANRGA-PXAZEXFGSA-N 0 1 389.477 3.131 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)cc2)CC1 ZINC001598601610 993576531 /nfs/dbraw/zinc/57/65/31/993576531.db2.gz WJHZTILPSNGASO-REWPJTCUSA-N 0 1 393.487 3.026 20 0 GGADMN C[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001598602404 993578393 /nfs/dbraw/zinc/57/83/93/993578393.db2.gz AKNTYSVHHMCUHP-ZDUSSCGKSA-N 0 1 383.279 3.061 20 0 GGADMN C[N@H+]1CCC[C@H]1CNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001598602404 993578400 /nfs/dbraw/zinc/57/84/00/993578400.db2.gz AKNTYSVHHMCUHP-ZDUSSCGKSA-N 0 1 383.279 3.061 20 0 GGADMN C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC001593062663 993580220 /nfs/dbraw/zinc/58/02/20/993580220.db2.gz LAEBNLKSAIFXSG-FUHWJXTLSA-N 0 1 397.475 3.198 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ncc(C(=O)[O-])s1 ZINC001593064621 993603024 /nfs/dbraw/zinc/60/30/24/993603024.db2.gz VKCDCHIDXHGESK-ILXRZTDVSA-N 0 1 394.541 3.198 20 0 GGADMN C[C@@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001593069729 993612290 /nfs/dbraw/zinc/61/22/90/993612290.db2.gz HWGYHZMPXKFSPI-HZPDHXFCSA-N 0 1 385.508 3.106 20 0 GGADMN C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001593069730 993612313 /nfs/dbraw/zinc/61/23/13/993612313.db2.gz HWGYHZMPXKFSPI-JKSUJKDBSA-N 0 1 385.508 3.106 20 0 GGADMN C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593069728 993612361 /nfs/dbraw/zinc/61/23/61/993612361.db2.gz HWGYHZMPXKFSPI-HOTGVXAUSA-N 0 1 385.508 3.106 20 0 GGADMN COc1ccc(NC(=O)CC[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1Cl ZINC001599590393 993672450 /nfs/dbraw/zinc/67/24/50/993672450.db2.gz VYLYLBWISCWOTF-OAHLLOKOSA-N 0 1 394.777 3.016 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC001599590476 993674994 /nfs/dbraw/zinc/67/49/94/993674994.db2.gz XNEKFMPOXAUUQS-UHFFFAOYSA-N 0 1 392.402 3.279 20 0 GGADMN 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C[N@@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598608586 993722171 /nfs/dbraw/zinc/72/21/71/993722171.db2.gz KFMFKLZRZPMHAN-PCCBWWKXSA-N 0 1 393.487 3.265 20 0 GGADMN C[N@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598608586 993722180 /nfs/dbraw/zinc/72/21/80/993722180.db2.gz KFMFKLZRZPMHAN-PCCBWWKXSA-N 0 1 393.487 3.265 20 0 GGADMN C[N@H+]1CCN(C(=O)Nc2cccc(COC3CCCCC3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598609102 993732347 /nfs/dbraw/zinc/73/23/47/993732347.db2.gz OBLVIVVIFQNACN-KRWDZBQOSA-N 0 1 389.496 3.016 20 0 GGADMN C[N@H+]1CCN(C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)C[C@H](C(=O)[O-])C1 ZINC001598609300 993736020 /nfs/dbraw/zinc/73/60/20/993736020.db2.gz RQHFGHUNNIOTOC-CQSZACIVSA-N 0 1 389.402 3.112 20 0 GGADMN C[N@H+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)C[C@H](C(=O)[O-])C1 ZINC001598609711 993743913 /nfs/dbraw/zinc/74/39/13/993743913.db2.gz FKJVCLATBJPLKR-OAHLLOKOSA-N 0 1 398.528 3.337 20 0 GGADMN 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COc1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC001599649860 994480192 /nfs/dbraw/zinc/48/01/92/994480192.db2.gz IWCAGRLIVIBAHR-HXUWFJFHSA-N 0 1 382.460 3.189 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC001599650332 994488743 /nfs/dbraw/zinc/48/87/43/994488743.db2.gz KUTCOTVHZICMGQ-IBGZPJMESA-N 0 1 376.403 3.311 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650927 994497805 /nfs/dbraw/zinc/49/78/05/994497805.db2.gz QIYZOCVCQQYBCI-RHSMWYFYSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2cc(=O)oc3cc(OC)ccc23)c1 ZINC001599651205 994503482 /nfs/dbraw/zinc/50/34/82/994503482.db2.gz UUYLQJAKBBMHAX-FQEVSTJZSA-N 0 1 383.400 3.068 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC001599651625 994512835 /nfs/dbraw/zinc/51/28/35/994512835.db2.gz XJYVQOSUVIKBQB-QFBILLFUSA-N 0 1 384.480 3.018 20 0 GGADMN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2csc(N(C)C3CC3)n2)c1 ZINC001599655649 994574902 /nfs/dbraw/zinc/57/49/02/994574902.db2.gz NASCBZQIXSURKL-IBGZPJMESA-N 0 1 375.494 3.230 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2sncc2Br)c1 ZINC001599655978 994580430 /nfs/dbraw/zinc/58/04/30/994580430.db2.gz QXQXLEWVYOZIFO-OAHLLOKOSA-N 0 1 385.283 3.394 20 0 GGADMN C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593268514 994595356 /nfs/dbraw/zinc/59/53/56/994595356.db2.gz VVQQNKYJLYCTHS-JTQLQIEISA-N 0 1 388.898 3.009 20 0 GGADMN COc1cccc([C@H](O)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)Cc2ccccc2)c1 ZINC001599659844 994639371 /nfs/dbraw/zinc/63/93/71/994639371.db2.gz OHHWIHFDDLQEHH-OAQYLSRUSA-N 0 1 380.444 3.457 20 0 GGADMN COc1cccc([C@H](O)C[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)Cc2ccccc2)c1 ZINC001599661277 994659867 /nfs/dbraw/zinc/65/98/67/994659867.db2.gz YDJKREOVFDHFLY-JOCHJYFZSA-N 0 1 394.471 3.468 20 0 GGADMN COc1cccc(C2([NH2+]Cc3ccc(C(=O)[O-])cc3F)CCOCC2)c1F ZINC001599663746 994696225 /nfs/dbraw/zinc/69/62/25/994696225.db2.gz BWTVXIFPQLQAHY-UHFFFAOYSA-N 0 1 377.387 3.467 20 0 GGADMN COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666737 994742672 /nfs/dbraw/zinc/74/26/72/994742672.db2.gz IXMXVABLFBVBHH-VBKZILBWSA-N 0 1 380.444 3.390 20 0 GGADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC001599666737 994742679 /nfs/dbraw/zinc/74/26/79/994742679.db2.gz IXMXVABLFBVBHH-VBKZILBWSA-N 0 1 380.444 3.390 20 0 GGADMN C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001593305577 994764360 /nfs/dbraw/zinc/76/43/60/994764360.db2.gz XGHYILMXJKRHPZ-ZDUSSCGKSA-N 0 1 387.386 3.465 20 0 GGADMN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(-n2cccn2)c1 ZINC001593312486 994800897 /nfs/dbraw/zinc/80/08/97/994800897.db2.gz VJKRUXLNZQFQHH-ZDUSSCGKSA-N 0 1 389.415 3.070 20 0 GGADMN COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC001599671184 994815558 /nfs/dbraw/zinc/81/55/58/994815558.db2.gz BOSZWGBOIFFNOB-KRWDZBQOSA-N 0 1 382.460 3.063 20 0 GGADMN C[C@@]([NH2+]Cc1nccn1CC(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC001593317287 994818670 /nfs/dbraw/zinc/81/86/70/994818670.db2.gz ODAZLIWDROWGLG-HNNXBMFYSA-N 0 1 388.212 3.000 20 0 GGADMN COc1cccc(CCC[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001599671570 994821966 /nfs/dbraw/zinc/82/19/66/994821966.db2.gz CCHJRTIWWWNFFI-GOSISDBHSA-N 0 1 392.496 3.024 20 0 GGADMN COc1cccc(C[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)c1OC(F)F ZINC001599672626 994840915 /nfs/dbraw/zinc/84/09/15/994840915.db2.gz LOBBNZQOZQNTKB-UHFFFAOYSA-N 0 1 382.363 3.362 20 0 GGADMN COc1cccc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1 ZINC001599674235 994868528 /nfs/dbraw/zinc/86/85/28/994868528.db2.gz JXRHQUWYHAQTAB-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1cccc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1 ZINC001599674235 994868536 /nfs/dbraw/zinc/86/85/36/994868536.db2.gz JXRHQUWYHAQTAB-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1cccc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1 ZINC001599674239 994869173 /nfs/dbraw/zinc/86/91/73/994869173.db2.gz JXRHQUWYHAQTAB-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN COc1cccc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1 ZINC001599674239 994869184 /nfs/dbraw/zinc/86/91/84/994869184.db2.gz JXRHQUWYHAQTAB-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN COc1cccc(NC(=O)CC[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001599678657 994941023 /nfs/dbraw/zinc/94/10/23/994941023.db2.gz NDNDXLFEQPSCTN-UHFFFAOYSA-N 0 1 392.402 3.279 20 0 GGADMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001598682528 994952155 /nfs/dbraw/zinc/95/21/55/994952155.db2.gz AAGAUGVTKUTPHP-VGMNTSGFSA-N 0 1 375.465 3.074 20 0 GGADMN C[C@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[C@H]1C[C@H]1C(=O)[O-] ZINC001593359991 995020901 /nfs/dbraw/zinc/02/09/01/995020901.db2.gz MDPUPGYATATXMT-WMHQRMGPSA-N 0 1 377.460 3.160 20 0 GGADMN C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593362250 995030766 /nfs/dbraw/zinc/03/07/66/995030766.db2.gz FJCWXBCLSKHVCB-MRXNPFEDSA-N 0 1 381.476 3.492 20 0 GGADMN C[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1ccccc1OCC(=O)[O-] ZINC001593365804 995044413 /nfs/dbraw/zinc/04/44/13/995044413.db2.gz KIOMOFGLYSXIIR-INIZCTEOSA-N 0 1 398.503 3.452 20 0 GGADMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001598689987 995048939 /nfs/dbraw/zinc/04/89/39/995048939.db2.gz UIKICLQVVLAYQS-IAGOWNOFSA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001598690473 995057027 /nfs/dbraw/zinc/05/70/27/995057027.db2.gz JNGHZKMLZGPHQZ-XPGWFJOJSA-N 0 1 383.444 3.417 20 0 GGADMN C[C@H](O)[C@H]([NH2+]Cc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1F ZINC001593431536 995251711 /nfs/dbraw/zinc/25/17/11/995251711.db2.gz GOBBASNCKFDNKA-QFYYESIMSA-N 0 1 382.229 3.498 20 0 GGADMN C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1F ZINC001593431533 995251905 /nfs/dbraw/zinc/25/19/05/995251905.db2.gz GOBBASNCKFDNKA-HWPZZCPQSA-N 0 1 382.229 3.498 20 0 GGADMN COC(=O)[C@@H](N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(C(=O)[O-])c1 ZINC001598706141 995289294 /nfs/dbraw/zinc/28/92/94/995289294.db2.gz OIQTZVQGSLNRAG-XOBRGWDASA-N 0 1 393.443 3.444 20 0 GGADMN COC(=O)[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C(=O)[O-])c1 ZINC001598706921 995298174 /nfs/dbraw/zinc/29/81/74/995298174.db2.gz AJOQZBYEZLJEHD-MAODMQOUSA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(=O)[O-])c1 ZINC001598708886 995323023 /nfs/dbraw/zinc/32/30/23/995323023.db2.gz QHSOJWLQTVWAHA-NZQKXSOJSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001598714768 995391375 /nfs/dbraw/zinc/39/13/75/995391375.db2.gz XHLRTVIQIXLWKA-HXUWFJFHSA-N 0 1 388.508 3.187 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001598714766 995391527 /nfs/dbraw/zinc/39/15/27/995391527.db2.gz XHLRTVIQIXLWKA-FQEVSTJZSA-N 0 1 388.508 3.187 20 0 GGADMN COC(=O)[C@H](c1ccccc1Br)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598716080 995410345 /nfs/dbraw/zinc/41/03/45/995410345.db2.gz ULKPSHSPGHCPIK-HNJNHCNJSA-N 0 1 396.281 3.240 20 0 GGADMN COC(=O)[C@H](c1ccccc1Br)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598716080 995410346 /nfs/dbraw/zinc/41/03/46/995410346.db2.gz ULKPSHSPGHCPIK-HNJNHCNJSA-N 0 1 396.281 3.240 20 0 GGADMN COC(=O)[C@@H](c1ccccc1F)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598716165 995412065 /nfs/dbraw/zinc/41/20/65/995412065.db2.gz VEBDSVHEJHHTLI-LZLYRXPVSA-N 0 1 391.826 3.493 20 0 GGADMN COC(=O)[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598716165 995412068 /nfs/dbraw/zinc/41/20/68/995412068.db2.gz VEBDSVHEJHHTLI-LZLYRXPVSA-N 0 1 391.826 3.493 20 0 GGADMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717260 995426825 /nfs/dbraw/zinc/42/68/25/995426825.db2.gz GQNGCBSIPNQMJO-FZMZJTMJSA-N 0 1 399.287 3.259 20 0 GGADMN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001598717259 995426846 /nfs/dbraw/zinc/42/68/46/995426846.db2.gz GQNGCBSIPNQMJO-BXUZGUMPSA-N 0 1 399.287 3.259 20 0 GGADMN COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c3ccccc3[nH]c2C(=O)[O-])C1 ZINC001598727072 995529868 /nfs/dbraw/zinc/52/98/68/995529868.db2.gz JNZZGRCXCYZZGX-QFIPXVFZSA-N 0 1 378.428 3.183 20 0 GGADMN C[C@@H](OCCCNC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608553 995796913 /nfs/dbraw/zinc/79/69/13/995796913.db2.gz KBVULKFWDCEMQL-MJGOQNOKSA-N 0 1 390.524 3.093 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615199 995829443 /nfs/dbraw/zinc/82/94/43/995829443.db2.gz FQPGJRLJXHNTRN-ZXYDQQDNSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H](Oc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615199 995829446 /nfs/dbraw/zinc/82/94/46/995829446.db2.gz FQPGJRLJXHNTRN-ZXYDQQDNSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615198 995829680 /nfs/dbraw/zinc/82/96/80/995829680.db2.gz FQPGJRLJXHNTRN-NVAPOSRTSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H](Oc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)C(=O)[O-] ZINC001593615198 995829686 /nfs/dbraw/zinc/82/96/86/995829686.db2.gz FQPGJRLJXHNTRN-NVAPOSRTSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@H](Oc1ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)cc1)C(=O)[O-] ZINC001593615248 995830550 /nfs/dbraw/zinc/83/05/50/995830550.db2.gz HPDOWZKMVJLWTJ-AWEZNQCLSA-N 0 1 376.403 3.139 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC001593615317 995831578 /nfs/dbraw/zinc/83/15/78/995831578.db2.gz HEHFAHMJEVEBPX-RLFYNMQTSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1)C(=O)[O-] ZINC001593615714 995838079 /nfs/dbraw/zinc/83/80/79/995838079.db2.gz MFNXZBIUSWGSCE-MRXNPFEDSA-N 0 1 392.459 3.284 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1)C(=O)[O-] ZINC001593615961 995841815 /nfs/dbraw/zinc/84/18/15/995841815.db2.gz USZHIRGFEYEXTK-KRWDZBQOSA-N 0 1 397.471 3.482 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1)C(=O)[O-] ZINC001593615962 995842169 /nfs/dbraw/zinc/84/21/69/995842169.db2.gz USZHIRGFEYEXTK-QGZVFWFLSA-N 0 1 397.471 3.482 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001593616345 995847720 /nfs/dbraw/zinc/84/77/20/995847720.db2.gz XRHCRRJFZZSZFG-OIISXLGYSA-N 0 1 390.480 3.122 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001593616345 995847723 /nfs/dbraw/zinc/84/77/23/995847723.db2.gz XRHCRRJFZZSZFG-OIISXLGYSA-N 0 1 390.480 3.122 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593616367 995847999 /nfs/dbraw/zinc/84/79/99/995847999.db2.gz YJKZQIWBXIZWCD-WMZOPIPTSA-N 0 1 382.460 3.023 20 0 GGADMN C[C@H](Oc1ccc(CNc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1)C(=O)[O-] ZINC001593619154 995859722 /nfs/dbraw/zinc/85/97/22/995859722.db2.gz ADRDPQCSFZUBIR-LAUBAEHRSA-N 0 1 395.503 3.435 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772876 995900198 /nfs/dbraw/zinc/90/01/98/995900198.db2.gz AVECWNMSNGLILK-YJBOKZPZSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1F)C(=O)[O-] ZINC001593630897 995914708 /nfs/dbraw/zinc/91/47/08/995914708.db2.gz FODBAFMISLSCQK-HZSPNIEDSA-N 0 1 381.448 3.062 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001598776414 995934474 /nfs/dbraw/zinc/93/44/74/995934474.db2.gz KVCSHCDDTLGXSY-OALUTQOASA-N 0 1 383.444 3.104 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC001593644280 995959329 /nfs/dbraw/zinc/95/93/29/995959329.db2.gz GXWAIZJBYSVBMN-KSFYIVLOSA-N 0 1 387.451 3.105 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644482 995962469 /nfs/dbraw/zinc/96/24/69/995962469.db2.gz KWGZNRSHKAPBTM-WBVHZDCISA-N 0 1 392.496 3.370 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001598779050 995963452 /nfs/dbraw/zinc/96/34/52/995963452.db2.gz QYSIQGRHKKEQBB-OXJNMPFZSA-N 0 1 399.443 3.196 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644810 995966612 /nfs/dbraw/zinc/96/66/12/995966612.db2.gz NBNDSQNXNBIKPJ-CVEARBPZSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644812 995966676 /nfs/dbraw/zinc/96/66/76/995966676.db2.gz NBNDSQNXNBIKPJ-HOTGVXAUSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@@H](Oc1ccccc1C[NH+]1CCN(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC001593646996 995991010 /nfs/dbraw/zinc/99/10/10/995991010.db2.gz YKHXPURSKGYRBV-OAHLLOKOSA-N 0 1 397.500 3.470 20 0 GGADMN C[C@H](Oc1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC001593649368 996002672 /nfs/dbraw/zinc/00/26/72/996002672.db2.gz SWCPUGHROIEYSI-WFXMLNOXSA-N 0 1 382.504 3.396 20 0 GGADMN C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593663296 996044263 /nfs/dbraw/zinc/04/42/63/996044263.db2.gz KXZJVSUVYMACDF-LPHOPBHVSA-N 0 1 398.528 3.397 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1)C(=O)[O-] ZINC001593669092 996069029 /nfs/dbraw/zinc/06/90/29/996069029.db2.gz OXNNECHUKMUCMU-LSDHHAIUSA-N 0 1 376.522 3.341 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1)C(=O)[O-] ZINC001593669089 996069074 /nfs/dbraw/zinc/06/90/74/996069074.db2.gz OXNNECHUKMUCMU-CABCVRRESA-N 0 1 376.522 3.341 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1)C(=O)[O-] ZINC001593669090 996069298 /nfs/dbraw/zinc/06/92/98/996069298.db2.gz OXNNECHUKMUCMU-GJZGRUSLSA-N 0 1 376.522 3.341 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C(=O)[O-] ZINC001593673104 996081667 /nfs/dbraw/zinc/08/16/67/996081667.db2.gz OGPRDIZZBDKIBT-GOEBONIOSA-N 0 1 376.522 3.389 20 0 GGADMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001598797723 996119279 /nfs/dbraw/zinc/11/92/79/996119279.db2.gz CVBFUJUTMVNCNN-ZWNOBZJWSA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001598797723 996119282 /nfs/dbraw/zinc/11/92/82/996119282.db2.gz CVBFUJUTMVNCNN-ZWNOBZJWSA-N 0 1 379.762 3.197 20 0 GGADMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001593685959 996120470 /nfs/dbraw/zinc/12/04/70/996120470.db2.gz KPUHLAYESYISBV-AVHYGJPMSA-N 0 1 392.459 3.437 20 0 GGADMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001593686692 996124011 /nfs/dbraw/zinc/12/40/11/996124011.db2.gz LUYQHEKQUKJAPT-KXBFYZLASA-N 0 1 392.455 3.464 20 0 GGADMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001593686684 996124027 /nfs/dbraw/zinc/12/40/27/996124027.db2.gz LUYQHEKQUKJAPT-DNVCBOLYSA-N 0 1 392.455 3.464 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001593692498 996139753 /nfs/dbraw/zinc/13/97/53/996139753.db2.gz CCDPIJCREAFCIE-QCSYZSNVSA-N 0 1 378.900 3.435 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001593692504 996139904 /nfs/dbraw/zinc/13/99/04/996139904.db2.gz CCDPIJCREAFCIE-ZSGPHXLJSA-N 0 1 378.900 3.435 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001593692496 996139944 /nfs/dbraw/zinc/13/99/44/996139944.db2.gz CCDPIJCREAFCIE-NKGKWGDASA-N 0 1 378.900 3.435 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC001598802199 996148463 /nfs/dbraw/zinc/14/84/63/996148463.db2.gz FRDWGXJLTMVESG-BEFAXECRSA-N 0 1 383.444 3.347 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001598802202 996148504 /nfs/dbraw/zinc/14/85/04/996148504.db2.gz FRDWGXJLTMVESG-KXBFYZLASA-N 0 1 383.444 3.347 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)[C@H](C(=O)[O-])C1 ZINC001598802481 996151220 /nfs/dbraw/zinc/15/12/20/996151220.db2.gz GVGSVYQTLUXBHH-BBRMVZONSA-N 0 1 377.437 3.392 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)[C@@H](C(=O)[O-])C1 ZINC001598802483 996151514 /nfs/dbraw/zinc/15/15/14/996151514.db2.gz GVGSVYQTLUXBHH-CZUORRHYSA-N 0 1 377.437 3.392 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)[C@@H](C(=O)[O-])C1 ZINC001598802484 996151589 /nfs/dbraw/zinc/15/15/89/996151589.db2.gz GVGSVYQTLUXBHH-XJKSGUPXSA-N 0 1 377.437 3.392 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696912 996152702 /nfs/dbraw/zinc/15/27/02/996152702.db2.gz BHDMZCOGZKBFTN-VLIAUNLRSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696912 996152704 /nfs/dbraw/zinc/15/27/04/996152704.db2.gz BHDMZCOGZKBFTN-VLIAUNLRSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696910 996153006 /nfs/dbraw/zinc/15/30/06/996153006.db2.gz BHDMZCOGZKBFTN-JLTOFOAXSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696910 996153009 /nfs/dbraw/zinc/15/30/09/996153009.db2.gz BHDMZCOGZKBFTN-JLTOFOAXSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697086 996154164 /nfs/dbraw/zinc/15/41/64/996154164.db2.gz DKDIQXNKXAYXDM-VBKZILBWSA-N 0 1 397.450 3.112 20 0 GGADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697086 996154166 /nfs/dbraw/zinc/15/41/66/996154166.db2.gz DKDIQXNKXAYXDM-VBKZILBWSA-N 0 1 397.450 3.112 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(/C=C\C(=O)[O-])o2)C1=O ZINC001593697312 996155929 /nfs/dbraw/zinc/15/59/29/996155929.db2.gz IHRUPRBKCLTQOD-MWDHEPDKSA-N 0 1 386.423 3.358 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(/C=C\C(=O)[O-])o2)C1=O ZINC001593697310 996155989 /nfs/dbraw/zinc/15/59/89/996155989.db2.gz IHRUPRBKCLTQOD-BVNDAYQMSA-N 0 1 386.423 3.358 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC001593697852 996158623 /nfs/dbraw/zinc/15/86/23/996158623.db2.gz RCRLUBHVZLNYTG-HFTRVMKXSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001593698149 996161107 /nfs/dbraw/zinc/16/11/07/996161107.db2.gz ATQNEVNXROUNQB-RHSMWYFYSA-N 0 1 377.485 3.091 20 0 GGADMN C[C@H](c1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC001593698148 996161195 /nfs/dbraw/zinc/16/11/95/996161195.db2.gz ATQNEVNXROUNQB-PBHICJAKSA-N 0 1 377.485 3.091 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NCc2ccc(C(=O)[O-])s2)cc1)[NH+]1CCOCC1 ZINC001593700229 996175511 /nfs/dbraw/zinc/17/55/11/996175511.db2.gz ZEGDDWSUTCECRB-ZDUSSCGKSA-N 0 1 389.477 3.161 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)[C@H](C(=O)[O-])C1 ZINC001598806033 996187462 /nfs/dbraw/zinc/18/74/62/996187462.db2.gz YRZXHCQROAEWEE-KXBFYZLASA-N 0 1 387.407 3.456 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001593705700 996192098 /nfs/dbraw/zinc/19/20/98/996192098.db2.gz KJPNEDJHBYZQIR-BJRSVTDJSA-N 0 1 396.487 3.315 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001593705700 996192101 /nfs/dbraw/zinc/19/21/01/996192101.db2.gz KJPNEDJHBYZQIR-BJRSVTDJSA-N 0 1 396.487 3.315 20 0 GGADMN C[C@H](c1ccccc1)[C@H]([NH2+]Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(N)=O ZINC001593706508 996197372 /nfs/dbraw/zinc/19/73/72/996197372.db2.gz NMNIUBCTMRTIDC-ACJLOTCBSA-N 0 1 395.484 3.256 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593725001 996272801 /nfs/dbraw/zinc/27/28/01/996272801.db2.gz KVHDTOFCCJQRKW-QWHCGFSZSA-N 0 1 390.415 3.107 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC001593725001 996272806 /nfs/dbraw/zinc/27/28/06/996272806.db2.gz KVHDTOFCCJQRKW-QWHCGFSZSA-N 0 1 390.415 3.107 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001593725160 996274422 /nfs/dbraw/zinc/27/44/22/996274422.db2.gz NGTKOZMMFDOWKS-OWCLPIDISA-N 0 1 387.480 3.175 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001593725171 996274730 /nfs/dbraw/zinc/27/47/30/996274730.db2.gz NIGGQFQOAGBCOD-CYBMUJFWSA-N 0 1 379.457 3.157 20 0 GGADMN C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725253 996275341 /nfs/dbraw/zinc/27/53/41/996275341.db2.gz TUJJPCBYPWDXAE-ZIAGYGMSSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725253 996275346 /nfs/dbraw/zinc/27/53/46/996275346.db2.gz TUJJPCBYPWDXAE-ZIAGYGMSSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001593725535 996278708 /nfs/dbraw/zinc/27/87/08/996278708.db2.gz RLHVQRVHCGJTON-ARGWCVDVSA-N 0 1 393.484 3.451 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001593730918 996298144 /nfs/dbraw/zinc/29/81/44/996298144.db2.gz BNYKVBAYPMGYPX-GFCCVEGCSA-N 0 1 383.514 3.481 20 0 GGADMN C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001593733639 996319577 /nfs/dbraw/zinc/31/95/77/996319577.db2.gz KCWYHRUJHWDAMO-JLLWLGSASA-N 0 1 385.247 3.477 20 0 GGADMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)Cc2ccccc21 ZINC001598826794 996391549 /nfs/dbraw/zinc/39/15/49/996391549.db2.gz IPFOPFOOTNLZSJ-LJQANCHMSA-N 0 1 376.412 3.205 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001593767486 996449551 /nfs/dbraw/zinc/44/95/51/996449551.db2.gz BTPDONIDHMIAST-UGKGYDQZSA-N 0 1 387.524 3.185 20 0 GGADMN C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001593768062 996452603 /nfs/dbraw/zinc/45/26/03/996452603.db2.gz KQEPZGQDJSVSAM-DENIHFKCSA-N 0 1 387.524 3.328 20 0 GGADMN C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001593769571 996456863 /nfs/dbraw/zinc/45/68/63/996456863.db2.gz SFUCKPZTYVTJBI-QTDGGUCWSA-N 0 1 399.535 3.183 20 0 GGADMN COC(=O)/C=C\c1ccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)o1 ZINC001598833467 996460427 /nfs/dbraw/zinc/46/04/27/996460427.db2.gz AOCUTNINWLJRKY-ALCCZGGFSA-N 0 1 379.359 3.221 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC001593776162 996475980 /nfs/dbraw/zinc/47/59/80/996475980.db2.gz GJCSRDBLWFBIRQ-APWZRJJASA-N 0 1 398.425 3.383 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC001593777455 996484130 /nfs/dbraw/zinc/48/41/30/996484130.db2.gz WQWMNWPTOAOTBO-QFIPXVFZSA-N 0 1 382.460 3.391 20 0 GGADMN CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001593836780 996593528 /nfs/dbraw/zinc/59/35/28/996593528.db2.gz AQCXSTHXWGLCAX-KRWDZBQOSA-N 0 1 376.472 3.297 20 0 GGADMN CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593837290 996594438 /nfs/dbraw/zinc/59/44/38/996594438.db2.gz GNDNKPFCDJYFOP-CYBMUJFWSA-N 0 1 389.402 3.265 20 0 GGADMN CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593837290 996594442 /nfs/dbraw/zinc/59/44/42/996594442.db2.gz GNDNKPFCDJYFOP-CYBMUJFWSA-N 0 1 389.402 3.265 20 0 GGADMN CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001593837246 996594571 /nfs/dbraw/zinc/59/45/71/996594571.db2.gz GFCSHDXZBABULM-JIHKLPAASA-N 0 1 392.496 3.285 20 0 GGADMN COC(=O)CC[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(F)c(F)c1 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COc1cc(C[N@@H+](C)Cc2ccccc2OCC(=O)[O-])ccc1OC(F)F ZINC001599405349 997286782 /nfs/dbraw/zinc/28/67/82/997286782.db2.gz WAFOWPUWJZMCAZ-UHFFFAOYSA-N 0 1 381.375 3.392 20 0 GGADMN CC1([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3Br)C2)OCCO1 ZINC001593993890 997287284 /nfs/dbraw/zinc/28/72/84/997287284.db2.gz ZULGLFYXGKMRLZ-CQSZACIVSA-N 0 1 384.270 3.122 20 0 GGADMN COc1cc(C[N@H+](C)CCc2ccccn2)c(Br)cc1C(=O)[O-] ZINC001599406160 997305418 /nfs/dbraw/zinc/30/54/18/997305418.db2.gz VKWIORAZIBYEKP-UHFFFAOYSA-N 0 1 379.254 3.225 20 0 GGADMN COc1cc(C[N@@H+](C)CCc2ccccn2)c(Br)cc1C(=O)[O-] ZINC001599406160 997305429 /nfs/dbraw/zinc/30/54/29/997305429.db2.gz VKWIORAZIBYEKP-UHFFFAOYSA-N 0 1 379.254 3.225 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(Br)cn1 ZINC001599406621 997317742 /nfs/dbraw/zinc/31/77/42/997317742.db2.gz HXNXAFHVEKJWJK-SFHVURJKSA-N 0 1 391.265 3.081 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406747 997320666 /nfs/dbraw/zinc/32/06/66/997320666.db2.gz AYFIZHNMPRTANM-HNNXBMFYSA-N 0 1 389.448 3.160 20 0 GGADMN COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001598909581 997334142 /nfs/dbraw/zinc/33/41/42/997334142.db2.gz JTPHGRBCQCAQEH-JOCHJYFZSA-N 0 1 378.428 3.183 20 0 GGADMN COc1cc(C[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)cc(Cl)c1OC ZINC001599407428 997347296 /nfs/dbraw/zinc/34/72/96/997347296.db2.gz LXQJKISPJQTDFU-UHFFFAOYSA-N 0 1 380.828 3.423 20 0 GGADMN COC(=O)c1c(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c2cc(F)ccc2n1C ZINC001598910361 997357818 /nfs/dbraw/zinc/35/78/18/997357818.db2.gz GUALVDDRZRZZQW-UHFFFAOYSA-N 0 1 384.407 3.434 20 0 GGADMN COc1cc(C[N@H+]2CCCCC[C@H]2CCO)c(Br)cc1C(=O)[O-] ZINC001599407881 997360099 /nfs/dbraw/zinc/36/00/99/997360099.db2.gz UBZCBLBPUJVPPS-ZDUSSCGKSA-N 0 1 386.286 3.283 20 0 GGADMN COc1cc(C[N@H+]2CCCOC[C@H]2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407852 997360201 /nfs/dbraw/zinc/36/02/01/997360201.db2.gz RYDVLHOGBLLSBM-CQSZACIVSA-N 0 1 375.421 3.176 20 0 GGADMN COc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(Br)cc1C(=O)[O-] ZINC001599407944 997362158 /nfs/dbraw/zinc/36/21/58/997362158.db2.gz XBPRJIWGNJRDKL-SFHVURJKSA-N 0 1 397.313 3.074 20 0 GGADMN COC(=O)c1c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001598910603 997362185 /nfs/dbraw/zinc/36/21/85/997362185.db2.gz NTJYHLPVFZOOPD-CYBMUJFWSA-N 0 1 390.455 3.427 20 0 GGADMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+](CCC(=O)[O-])C(C)C)cc1 ZINC001599515012 997367607 /nfs/dbraw/zinc/36/76/07/997367607.db2.gz CCCHCTJGESLJQA-QGZVFWFLSA-N 0 1 394.512 3.489 20 0 GGADMN COC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001599203931 997368431 /nfs/dbraw/zinc/36/84/31/997368431.db2.gz QMVOIVCNVYPZFW-MRXNPFEDSA-N 0 1 389.448 3.424 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(Br)cn1 ZINC001599408405 997374756 /nfs/dbraw/zinc/37/47/56/997374756.db2.gz VVZUNNZPLLVOTF-HUUCEWRRSA-N 0 1 391.265 3.153 20 0 GGADMN COc1cc(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc(OC)c1OCC(F)F ZINC001599408492 997377628 /nfs/dbraw/zinc/37/76/28/997377628.db2.gz GUYDYJNGDXYKDS-JLTOFOAXSA-N 0 1 399.434 3.425 20 0 GGADMN COC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC001599204637 997383743 /nfs/dbraw/zinc/38/37/43/997383743.db2.gz QBGDWHTYLPLUAS-LBPRGKRZSA-N 0 1 386.286 3.404 20 0 GGADMN COC1CCC(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])CC1 ZINC001599101549 997394710 /nfs/dbraw/zinc/39/47/10/997394710.db2.gz ZIDQKFYFTMLPEN-AJUCZRQESA-N 0 1 382.298 3.466 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC001598913849 997418336 /nfs/dbraw/zinc/41/83/36/997418336.db2.gz DMOLGNTUSVRHLR-CYBMUJFWSA-N 0 1 394.493 3.158 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001598915255 997449112 /nfs/dbraw/zinc/44/91/12/997449112.db2.gz CCKDELGJUOTFEU-GFCCVEGCSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001598915255 997449119 /nfs/dbraw/zinc/44/91/19/997449119.db2.gz CCKDELGJUOTFEU-GFCCVEGCSA-N 0 1 396.509 3.238 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC001594010764 997449321 /nfs/dbraw/zinc/44/93/21/997449321.db2.gz SVKFZLHKUSERGI-HXUWFJFHSA-N 0 1 398.450 3.499 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001598915286 997450625 /nfs/dbraw/zinc/45/06/25/997450625.db2.gz CYMOHUBQFZVOSZ-GFCCVEGCSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCCC[C@H]1CC(C)C ZINC001598915588 997458358 /nfs/dbraw/zinc/45/83/58/997458358.db2.gz LSUWXNIJAWWEDS-ZDUSSCGKSA-N 0 1 396.509 3.380 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1 ZINC001594013230 997478552 /nfs/dbraw/zinc/47/85/52/997478552.db2.gz PLAUGZWRGDIDKC-OAQYLSRUSA-N 0 1 390.480 3.226 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC001598916964 997490211 /nfs/dbraw/zinc/49/02/11/997490211.db2.gz ZTWXVOAEOZXEPZ-CYBMUJFWSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001598916964 997490225 /nfs/dbraw/zinc/49/02/25/997490225.db2.gz ZTWXVOAEOZXEPZ-CYBMUJFWSA-N 0 1 396.509 3.238 20 0 GGADMN C[C@@]1(CNC(=O)CCc2ccccc2C(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594015416 997490316 /nfs/dbraw/zinc/49/03/16/997490316.db2.gz DTHUZDJHTJLIBA-QHCPKHFHSA-N 0 1 380.488 3.346 20 0 GGADMN C[C@]1(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594019513 997517312 /nfs/dbraw/zinc/51/73/12/997517312.db2.gz HFMGXIDFEKQKGS-HSZRJFAPSA-N 0 1 395.503 3.139 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599417864 997541955 /nfs/dbraw/zinc/54/19/55/997541955.db2.gz FWJVLTPQMAULDX-FXHACXQTSA-N 0 1 380.872 3.313 20 0 GGADMN C[C@@]1(CNC(=O)c2ccccc2CCC(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594026836 997564919 /nfs/dbraw/zinc/56/49/19/997564919.db2.gz HXXZQMZNTVHTAS-QHCPKHFHSA-N 0 1 380.488 3.346 20 0 GGADMN COc1ccc([C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C(=O)[O-])cc1 ZINC001599529163 997618731 /nfs/dbraw/zinc/61/87/31/997618731.db2.gz VDWBTCJPLFPAMQ-UTYWTXRGSA-N 0 1 380.488 3.464 20 0 GGADMN COc1ccc([C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C(=O)[O-])cc1 ZINC001599529163 997618738 /nfs/dbraw/zinc/61/87/38/997618738.db2.gz VDWBTCJPLFPAMQ-UTYWTXRGSA-N 0 1 380.488 3.464 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)C(=O)[O-])c(OC)c1 ZINC001599530529 997641950 /nfs/dbraw/zinc/64/19/50/997641950.db2.gz DKQUVPIOOJVCBW-LJQANCHMSA-N 0 1 375.396 3.300 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C(=O)[O-])c(OC)c1 ZINC001599530879 997649654 /nfs/dbraw/zinc/64/96/54/997649654.db2.gz HBUOCZHTCYLPPU-KRWDZBQOSA-N 0 1 377.824 3.208 20 0 GGADMN C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001594043027 997672895 /nfs/dbraw/zinc/67/28/95/997672895.db2.gz AWZGOZQZGAADJC-SQWSFHKJSA-N 0 1 392.496 3.114 20 0 GGADMN C[C@]1(Cc2ccccc2F)CCC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC001594043026 997673106 /nfs/dbraw/zinc/67/31/06/997673106.db2.gz AWZGOZQZGAADJC-JKALPCAWSA-N 0 1 392.496 3.114 20 0 GGADMN COc1ccc(C)cc1C[NH+]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001599533079 997694340 /nfs/dbraw/zinc/69/43/40/997694340.db2.gz DSNVMGMMLPMMCC-UHFFFAOYSA-N 0 1 397.519 3.157 20 0 GGADMN COC(=O)c1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc(C(=O)[O-])c1 ZINC001598929624 997720610 /nfs/dbraw/zinc/72/06/10/997720610.db2.gz AMUBRQXYTFNMFK-HXUWFJFHSA-N 0 1 376.412 3.446 20 0 GGADMN COC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cs1 ZINC001598929844 997726445 /nfs/dbraw/zinc/72/64/45/997726445.db2.gz FTOBZQHGNHAZHT-UONOGXRCSA-N 0 1 381.400 3.113 20 0 GGADMN COC(=O)c1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc(C(=O)[O-])c1 ZINC001598930218 997736401 /nfs/dbraw/zinc/73/64/01/997736401.db2.gz JYGGGPCOMUMQQA-OAHLLOKOSA-N 0 1 398.242 3.301 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001598930698 997747015 /nfs/dbraw/zinc/74/70/15/997747015.db2.gz DNNOYSVQZRVPQV-CQSZACIVSA-N 0 1 391.464 3.115 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc(C(=O)[O-])c1 ZINC001598931249 997759881 /nfs/dbraw/zinc/75/98/81/997759881.db2.gz ICQOPQZCPJJRHF-QFIPXVFZSA-N 0 1 381.428 3.141 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598931405 997763849 /nfs/dbraw/zinc/76/38/49/997763849.db2.gz LQPZKHZGWWJYNP-OAQYLSRUSA-N 0 1 397.471 3.395 20 0 GGADMN COc1ccc(C2=NO[C@H](C[NH2+][C@@H](C)c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599537308 997767625 /nfs/dbraw/zinc/76/76/25/997767625.db2.gz NTSNKDGUOWUMDG-AAEUAGOBSA-N 0 1 375.450 3.002 20 0 GGADMN COc1cc(NC(=O)CC[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c(OC)cc1Cl ZINC001599431840 997772672 /nfs/dbraw/zinc/77/26/72/997772672.db2.gz WBSCQXSIGLBSQI-NSHDSACASA-N 0 1 384.860 3.013 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)ccc1C ZINC001598932079 997780854 /nfs/dbraw/zinc/78/08/54/997780854.db2.gz FABAZUOJCFLQRG-MRXNPFEDSA-N 0 1 382.460 3.191 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001599539072 997800595 /nfs/dbraw/zinc/80/05/95/997800595.db2.gz MUMZHNMVAGRPOA-LSTHTHJFSA-N 0 1 388.508 3.324 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001599539072 997800605 /nfs/dbraw/zinc/80/06/05/997800605.db2.gz MUMZHNMVAGRPOA-LSTHTHJFSA-N 0 1 388.508 3.324 20 0 GGADMN C[C@@]1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001594057045 997806530 /nfs/dbraw/zinc/80/65/30/997806530.db2.gz HCQYMFFTBNYIFJ-HXUWFJFHSA-N 0 1 389.402 3.449 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)cc(C(=O)[O-])c1 ZINC001598933134 997806827 /nfs/dbraw/zinc/80/68/27/997806827.db2.gz QYOWYSGBJYAYOH-KRWDZBQOSA-N 0 1 396.487 3.499 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001599539641 997812798 /nfs/dbraw/zinc/81/27/98/997812798.db2.gz ZGTWGIWDCPCQOF-PMACEKPBSA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001599539641 997812809 /nfs/dbraw/zinc/81/28/09/997812809.db2.gz ZGTWGIWDCPCQOF-PMACEKPBSA-N 0 1 388.508 3.468 20 0 GGADMN COc1cc(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599434198 997813316 /nfs/dbraw/zinc/81/33/16/997813316.db2.gz CQLMECSTPNXAAF-GOSISDBHSA-N 0 1 397.475 3.174 20 0 GGADMN COc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(OC)cc1Cl ZINC001599434760 997823238 /nfs/dbraw/zinc/82/32/38/997823238.db2.gz DBYNWEZMQACLFZ-GFCCVEGCSA-N 0 1 398.887 3.119 20 0 GGADMN COc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C(=O)[O-] ZINC001599436078 997848745 /nfs/dbraw/zinc/84/87/45/997848745.db2.gz UJICDRRMWXWJGE-OAHLLOKOSA-N 0 1 383.448 3.304 20 0 GGADMN COc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599437104 997866797 /nfs/dbraw/zinc/86/67/97/997866797.db2.gz KKWQJCRMNLQFJO-RDJZCZTQSA-N 0 1 397.475 3.426 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001598936823 997884547 /nfs/dbraw/zinc/88/45/47/997884547.db2.gz WMVOYWZPROZCCN-LBPRGKRZSA-N 0 1 378.425 3.147 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001598936823 997884561 /nfs/dbraw/zinc/88/45/61/997884561.db2.gz WMVOYWZPROZCCN-LBPRGKRZSA-N 0 1 378.425 3.147 20 0 GGADMN COc1cc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC001599438801 997896772 /nfs/dbraw/zinc/89/67/72/997896772.db2.gz RRFFGVXMQXGERP-LJQANCHMSA-N 0 1 397.475 3.426 20 0 GGADMN COc1cc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC001599438800 997896981 /nfs/dbraw/zinc/89/69/81/997896981.db2.gz RRFFGVXMQXGERP-IBGZPJMESA-N 0 1 397.475 3.426 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@H]1CC[C@@H](C)C1 ZINC001599233155 997899011 /nfs/dbraw/zinc/89/90/11/997899011.db2.gz DVMQGFOOQMGWEA-OLZOCXBDSA-N 0 1 380.510 3.011 20 0 GGADMN COc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cccc1C(=O)[O-] ZINC001599339981 997906159 /nfs/dbraw/zinc/90/61/59/997906159.db2.gz BRNAATRSOVDTRI-GFCCVEGCSA-N 0 1 389.477 3.023 20 0 GGADMN COc1c(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cccc1C(=O)[O-] ZINC001599339981 997906167 /nfs/dbraw/zinc/90/61/67/997906167.db2.gz BRNAATRSOVDTRI-GFCCVEGCSA-N 0 1 389.477 3.023 20 0 GGADMN COc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1C(=O)[O-] ZINC001599340328 997911510 /nfs/dbraw/zinc/91/15/10/997911510.db2.gz JEUIAIYRSLFCSF-QAPCUYQASA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1C(=O)[O-] ZINC001599340698 997917089 /nfs/dbraw/zinc/91/70/89/997917089.db2.gz MMKYZEPJYUZCKW-PBHICJAKSA-N 0 1 383.448 3.178 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598938940 997925386 /nfs/dbraw/zinc/92/53/86/997925386.db2.gz HCISNAREFPZUDA-SFHVURJKSA-N 0 1 388.464 3.155 20 0 GGADMN COc1c(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1C(=O)[O-] ZINC001599342069 997937697 /nfs/dbraw/zinc/93/76/97/997937697.db2.gz WUZLVEMBJXOQLZ-OKILXGFUSA-N 0 1 377.485 3.271 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC001598939545 997939964 /nfs/dbraw/zinc/93/99/64/997939964.db2.gz AABBMHNDLJJLAN-HXUWFJFHSA-N 0 1 398.459 3.439 20 0 GGADMN CO[C@H]1C[N@@H+](CCCCOc2ccc(Br)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599130835 997940512 /nfs/dbraw/zinc/94/05/12/997940512.db2.gz AFRLSGBGLHESLO-WBVHZDCISA-N 0 1 386.286 3.172 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H](C)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598939642 997941065 /nfs/dbraw/zinc/94/10/65/997941065.db2.gz CWLPRSCKWKUMHJ-ZDUSSCGKSA-N 0 1 376.453 3.011 20 0 GGADMN CO[C@@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130919 997941240 /nfs/dbraw/zinc/94/12/40/997941240.db2.gz AYFWXIHUGIIUPB-LPHOPBHVSA-N 0 1 375.856 3.169 20 0 GGADMN CO[C@@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130919 997941249 /nfs/dbraw/zinc/94/12/49/997941249.db2.gz AYFWXIHUGIIUPB-LPHOPBHVSA-N 0 1 375.856 3.169 20 0 GGADMN CO[C@H]1C[N@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130917 997941396 /nfs/dbraw/zinc/94/13/96/997941396.db2.gz AYFWXIHUGIIUPB-APWZRJJASA-N 0 1 375.856 3.169 20 0 GGADMN CO[C@H]1C[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130917 997941407 /nfs/dbraw/zinc/94/14/07/997941407.db2.gz AYFWXIHUGIIUPB-APWZRJJASA-N 0 1 375.856 3.169 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001598939890 997947702 /nfs/dbraw/zinc/94/77/02/997947702.db2.gz UCBBPVVJZNWJRO-LJQANCHMSA-N 0 1 396.443 3.255 20 0 GGADMN CO[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)[C@@](C)(C(=O)[O-])C1 ZINC001599131208 997948120 /nfs/dbraw/zinc/94/81/20/997948120.db2.gz CIHHAPCDGFMKFT-FXAWDEMLSA-N 0 1 391.899 3.266 20 0 GGADMN CO[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)[C@](C)(C(=O)[O-])C1 ZINC001599131332 997950069 /nfs/dbraw/zinc/95/00/69/997950069.db2.gz COJLIQRCVIONAV-YOEHRIQHSA-N 0 1 379.254 3.061 20 0 GGADMN CO[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)[C@](C)(C(=O)[O-])C1 ZINC001599131332 997950077 /nfs/dbraw/zinc/95/00/77/997950077.db2.gz COJLIQRCVIONAV-YOEHRIQHSA-N 0 1 379.254 3.061 20 0 GGADMN CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599132181 997967877 /nfs/dbraw/zinc/96/78/77/997967877.db2.gz QUWPGCWEBNHEKJ-SIKLNZKXSA-N 0 1 398.459 3.372 20 0 GGADMN COc1c(NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ncnc1C(=O)[O-] ZINC001599344120 997971776 /nfs/dbraw/zinc/97/17/76/997971776.db2.gz FXZSWDGSMPTMDY-GASCZTMLSA-N 0 1 384.480 3.273 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@@H+]([C@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443625 997971726 /nfs/dbraw/zinc/97/17/26/997971726.db2.gz VULIWLOIFVALNJ-CHWSQXEVSA-N 0 1 375.425 3.028 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@H+]([C@H](C)c3nc(C(=O)[O-])co3)C2)cc(OC)c1 ZINC001599443625 997971736 /nfs/dbraw/zinc/97/17/36/997971736.db2.gz VULIWLOIFVALNJ-CHWSQXEVSA-N 0 1 375.425 3.028 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC001598942110 997992374 /nfs/dbraw/zinc/99/23/74/997992374.db2.gz NWQNYXKSEXIJGN-MRXNPFEDSA-N 0 1 396.443 3.022 20 0 GGADMN COc1c(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)ncnc1C(=O)[O-] ZINC001599345768 998003297 /nfs/dbraw/zinc/00/32/97/998003297.db2.gz YQRREWKJMYFKMU-HNNXBMFYSA-N 0 1 390.871 3.303 20 0 GGADMN COc1cc(OC)c(NC(=O)CC[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC001599448058 998042467 /nfs/dbraw/zinc/04/24/67/998042467.db2.gz JVVXMMUHHNQJLM-NSHDSACASA-N 0 1 384.860 3.013 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001599450431 998084957 /nfs/dbraw/zinc/08/49/57/998084957.db2.gz FJWFUTGEEWSYIW-MORSLUCNSA-N 0 1 393.480 3.129 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC001599450594 998088556 /nfs/dbraw/zinc/08/85/56/998088556.db2.gz HVMMCICFXDLZDL-FQEVSTJZSA-N 0 1 388.439 3.181 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450575 998088807 /nfs/dbraw/zinc/08/88/07/998088807.db2.gz HNQATMHVLKCHON-OAQYLSRUSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450575 998088814 /nfs/dbraw/zinc/08/88/14/998088814.db2.gz HNQATMHVLKCHON-OAQYLSRUSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001599450575 998088824 /nfs/dbraw/zinc/08/88/24/998088824.db2.gz HNQATMHVLKCHON-OAQYLSRUSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001599450888 998096769 /nfs/dbraw/zinc/09/67/69/998096769.db2.gz NLICKAFHBQLEGH-IERDGZPVSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001599450887 998097534 /nfs/dbraw/zinc/09/75/34/998097534.db2.gz NLICKAFHBQLEGH-HRAATJIYSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC001599451190 998103543 /nfs/dbraw/zinc/10/35/43/998103543.db2.gz WKYQZVPMSRGGRS-YWZLYKJASA-N 0 1 399.491 3.242 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](CCCOc2ccccc2)C2CCOCC2)O1 ZINC001594100237 998105345 /nfs/dbraw/zinc/10/53/45/998105345.db2.gz MZGFQFRSFKSOGP-IBGZPJMESA-N 0 1 375.465 3.084 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 ZINC001599452116 998121069 /nfs/dbraw/zinc/12/10/69/998121069.db2.gz DYUQYXYDQXFXQS-WTNAPCKOSA-N 0 1 396.487 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001599452116 998121075 /nfs/dbraw/zinc/12/10/75/998121075.db2.gz DYUQYXYDQXFXQS-WTNAPCKOSA-N 0 1 396.487 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001599452116 998121082 /nfs/dbraw/zinc/12/10/82/998121082.db2.gz DYUQYXYDQXFXQS-WTNAPCKOSA-N 0 1 396.487 3.036 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)O1 ZINC001594103184 998126934 /nfs/dbraw/zinc/12/69/34/998126934.db2.gz NVOIWRRGNBPDOX-CVEARBPZSA-N 0 1 382.501 3.245 20 0 GGADMN COc1ccc(C[N@@H+](CCCO)Cc2ccnc3c(C(=O)[O-])cccc23)cc1 ZINC001599558169 998132438 /nfs/dbraw/zinc/13/24/38/998132438.db2.gz BNIJSQGGMQDBNQ-UHFFFAOYSA-N 0 1 380.444 3.326 20 0 GGADMN COc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(OC)c1OC ZINC001599558309 998134795 /nfs/dbraw/zinc/13/47/95/998134795.db2.gz FFHSWQRPQVUDGF-INIZCTEOSA-N 0 1 399.365 3.387 20 0 GGADMN COc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(OC)c1OC ZINC001599558309 998134805 /nfs/dbraw/zinc/13/48/05/998134805.db2.gz FFHSWQRPQVUDGF-INIZCTEOSA-N 0 1 399.365 3.387 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c(OC)c1OC ZINC001599558781 998147313 /nfs/dbraw/zinc/14/73/13/998147313.db2.gz JZTBZRSGURPQTJ-UHFFFAOYSA-N 0 1 379.840 3.453 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C(C)(C)C)cc1 ZINC001599558816 998148368 /nfs/dbraw/zinc/14/83/68/998148368.db2.gz NCXRZYOZWUMDKL-UHFFFAOYSA-N 0 1 376.497 3.199 20 0 GGADMN COc1ccc(C[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C(C)(C)C)cc1 ZINC001599559028 998153511 /nfs/dbraw/zinc/15/35/11/998153511.db2.gz VXKNAUISRCKOJI-PDGQHHTCSA-N 0 1 392.521 3.187 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)cc1O ZINC001599559197 998156320 /nfs/dbraw/zinc/15/63/20/998156320.db2.gz ZDJLWEFALPULIR-UHFFFAOYSA-N 0 1 380.238 3.250 20 0 GGADMN COc1ccc(C[N@@H+](Cc2cc(C(=O)[O-])ccc2OC)[C@H](CO)C(C)C)cc1 ZINC001599559268 998158220 /nfs/dbraw/zinc/15/82/20/998158220.db2.gz YFAWDGDZCWJWSU-HXUWFJFHSA-N 0 1 387.476 3.421 20 0 GGADMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)c1 ZINC001599454937 998172489 /nfs/dbraw/zinc/17/24/89/998172489.db2.gz QUSLTTNEVAZXEL-UHFFFAOYSA-N 0 1 399.491 3.320 20 0 GGADMN COc1ccc(C[NH+]2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1OC1CC1 ZINC001599560431 998182117 /nfs/dbraw/zinc/18/21/17/998182117.db2.gz HDWXWSUCBQNJIJ-UHFFFAOYSA-N 0 1 388.489 3.318 20 0 GGADMN COCC(=O)Nc1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)c1 ZINC001599144119 998182736 /nfs/dbraw/zinc/18/27/36/998182736.db2.gz VHARAXROSSBGDH-QGZVFWFLSA-N 0 1 397.258 3.494 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001599561077 998196279 /nfs/dbraw/zinc/19/62/79/998196279.db2.gz DIFOFYGTZANJLM-UHFFFAOYSA-N 0 1 383.448 3.133 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1 ZINC001599561904 998215106 /nfs/dbraw/zinc/21/51/06/998215106.db2.gz SPAYHMFAAUKQNR-CYBMUJFWSA-N 0 1 395.381 3.494 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3C)CC2)cc1 ZINC001599562339 998223889 /nfs/dbraw/zinc/22/38/89/998223889.db2.gz YNOLLQVUBHUYHU-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN COC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001598956197 998246030 /nfs/dbraw/zinc/24/60/30/998246030.db2.gz BLQILIHNJUCVOB-QGZVFWFLSA-N 0 1 375.421 3.043 20 0 GGADMN COC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001598956197 998246038 /nfs/dbraw/zinc/24/60/38/998246038.db2.gz BLQILIHNJUCVOB-QGZVFWFLSA-N 0 1 375.421 3.043 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc1OC1CC1 ZINC001599564524 998261682 /nfs/dbraw/zinc/26/16/82/998261682.db2.gz LSBYRZRYTXPMOT-RBUKOAKNSA-N 0 1 383.444 3.242 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1Cn1cccn1 ZINC001599564808 998265765 /nfs/dbraw/zinc/26/57/65/998265765.db2.gz ULTMNBMDSRSCRY-HXUWFJFHSA-N 0 1 377.444 3.124 20 0 GGADMN COC(=O)c1cc2cc(C[N@H+](C)[C@@H](C(=O)[O-])c3cccc(OC)c3)ccc2o1 ZINC001598958093 998282209 /nfs/dbraw/zinc/28/22/09/998282209.db2.gz VHFFNGXQTXIDBP-LJQANCHMSA-N 0 1 383.400 3.486 20 0 GGADMN COC(=O)c1cc2cc(C[N@@H+](C)[C@@H](C(=O)[O-])c3cccc(OC)c3)ccc2o1 ZINC001598958093 998282222 /nfs/dbraw/zinc/28/22/22/998282222.db2.gz VHFFNGXQTXIDBP-LJQANCHMSA-N 0 1 383.400 3.486 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC001599462782 998302932 /nfs/dbraw/zinc/30/29/32/998302932.db2.gz KBJQIGNEKXWFFM-DOTOQJQBSA-N 0 1 377.481 3.004 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C)c2C)c1 ZINC001598959954 998310132 /nfs/dbraw/zinc/31/01/32/998310132.db2.gz BBXVLWRFIADVBX-HNNXBMFYSA-N 0 1 398.459 3.247 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cc3c(cc[nH]c3=O)o1)CC2 ZINC001599464043 998327204 /nfs/dbraw/zinc/32/72/04/998327204.db2.gz YCUOBYTZUDOPIJ-MRXNPFEDSA-N 0 1 398.415 3.125 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cc3c(cc[nH]c3=O)o1)CC2 ZINC001599464043 998327213 /nfs/dbraw/zinc/32/72/13/998327213.db2.gz YCUOBYTZUDOPIJ-MRXNPFEDSA-N 0 1 398.415 3.125 20 0 GGADMN COC[C@@](C)([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001599154652 998350789 /nfs/dbraw/zinc/35/07/89/998350789.db2.gz RMVSRWPLAZPVBL-LJQANCHMSA-N 0 1 392.839 3.150 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC001599465511 998352525 /nfs/dbraw/zinc/35/25/25/998352525.db2.gz KYIXOSISKIVFIA-LJQANCHMSA-N 0 1 398.459 3.236 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccc3c1OCO3)CC2 ZINC001599465484 998352698 /nfs/dbraw/zinc/35/26/98/998352698.db2.gz JOLUCENAFMEUSM-INIZCTEOSA-N 0 1 385.416 3.007 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc3c1OCO3)CC2 ZINC001599465484 998352704 /nfs/dbraw/zinc/35/27/04/998352704.db2.gz JOLUCENAFMEUSM-INIZCTEOSA-N 0 1 385.416 3.007 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cnc3onc(C)c3c1)CC2 ZINC001599465916 998361444 /nfs/dbraw/zinc/36/14/44/998361444.db2.gz VJDJEHBZONYOEK-QGZVFWFLSA-N 0 1 397.431 3.123 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cnc3onc(C)c3c1)CC2 ZINC001599465916 998361453 /nfs/dbraw/zinc/36/14/53/998361453.db2.gz VJDJEHBZONYOEK-QGZVFWFLSA-N 0 1 397.431 3.123 20 0 GGADMN COc1ccc(C[NH2+][C@@](C)(CC(=O)[O-])c2ccncc2)c(Br)c1O ZINC001599571328 998369203 /nfs/dbraw/zinc/36/92/03/998369203.db2.gz PLWPJHMVHAUYFU-KRWDZBQOSA-N 0 1 395.253 3.038 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])o1 ZINC001599466997 998379631 /nfs/dbraw/zinc/37/96/31/998379631.db2.gz XQEDPCAWKODVRZ-VFNWGFHPSA-N 0 1 379.416 3.338 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(CC(=O)[O-])cc2)c(Br)c1O ZINC001599573222 998400408 /nfs/dbraw/zinc/40/04/08/998400408.db2.gz WHABBTSCAYXEPR-UHFFFAOYSA-N 0 1 380.238 3.080 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001598965035 998400877 /nfs/dbraw/zinc/40/08/77/998400877.db2.gz GSCLBGOEGLSPRX-DZGCQCFKSA-N 0 1 390.480 3.257 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001599370972 998409071 /nfs/dbraw/zinc/40/90/71/998409071.db2.gz KHIRCGWQNJSJGR-HNNXBMFYSA-N 0 1 383.448 3.132 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001599370972 998409074 /nfs/dbraw/zinc/40/90/74/998409074.db2.gz KHIRCGWQNJSJGR-HNNXBMFYSA-N 0 1 383.448 3.132 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001599370973 998409130 /nfs/dbraw/zinc/40/91/30/998409130.db2.gz KHIRCGWQNJSJGR-OAHLLOKOSA-N 0 1 383.448 3.132 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001599370973 998409132 /nfs/dbraw/zinc/40/91/32/998409132.db2.gz KHIRCGWQNJSJGR-OAHLLOKOSA-N 0 1 383.448 3.132 20 0 GGADMN COC[C@H](C)Oc1ccc(C[N@@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1 ZINC001599158296 998412563 /nfs/dbraw/zinc/41/25/63/998412563.db2.gz DXMGBSVXIDNRKA-HNNXBMFYSA-N 0 1 385.460 3.365 20 0 GGADMN COC[C@H](C)Oc1ccc(C[N@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1 ZINC001599158296 998412573 /nfs/dbraw/zinc/41/25/73/998412573.db2.gz DXMGBSVXIDNRKA-HNNXBMFYSA-N 0 1 385.460 3.365 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1C ZINC001598966403 998429434 /nfs/dbraw/zinc/42/94/34/998429434.db2.gz YPWXPMIBFFMKLX-OAHLLOKOSA-N 0 1 398.459 3.247 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001594140232 998432099 /nfs/dbraw/zinc/43/20/99/998432099.db2.gz FBDFFEODGXDLCH-JRGCBEDISA-N 0 1 398.478 3.349 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001594140236 998433286 /nfs/dbraw/zinc/43/32/86/998433286.db2.gz FBDFFEODGXDLCH-UIFIKXQLSA-N 0 1 398.478 3.349 20 0 GGADMN COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599470538 998443449 /nfs/dbraw/zinc/44/34/49/998443449.db2.gz XKERAYIPVGOLBX-UHFFFAOYSA-N 0 1 381.432 3.181 20 0 GGADMN COc1ccc(-c2noc([C@@H](C)[N@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599471446 998457353 /nfs/dbraw/zinc/45/73/53/998457353.db2.gz JNDKNJFCOWESOS-KGYLQXTDSA-N 0 1 399.369 3.391 20 0 GGADMN COc1ccc(-c2noc([C@@H](C)[N@@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599471446 998457359 /nfs/dbraw/zinc/45/73/59/998457359.db2.gz JNDKNJFCOWESOS-KGYLQXTDSA-N 0 1 399.369 3.391 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC001599374263 998462185 /nfs/dbraw/zinc/46/21/85/998462185.db2.gz NADFFSOECYNNOV-UHFFFAOYSA-N 0 1 384.436 3.019 20 0 GGADMN COc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599577973 998477674 /nfs/dbraw/zinc/47/76/74/998477674.db2.gz ONQXRXHKDYJQAJ-HNNXBMFYSA-N 0 1 398.887 3.245 20 0 GGADMN COc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001599577973 998477681 /nfs/dbraw/zinc/47/76/81/998477681.db2.gz ONQXRXHKDYJQAJ-HNNXBMFYSA-N 0 1 398.887 3.245 20 0 GGADMN COC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC001599162510 998482445 /nfs/dbraw/zinc/48/24/45/998482445.db2.gz YILDUCUPTDTBBS-QRWLVFNGSA-N 0 1 382.460 3.348 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001598969575 998489473 /nfs/dbraw/zinc/48/94/73/998489473.db2.gz MGIGULKWTOJFFK-UHFFFAOYSA-N 0 1 398.459 3.087 20 0 GGADMN COC[C@H](C[N@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1)C(C)C ZINC001599163266 998495685 /nfs/dbraw/zinc/49/56/85/998495685.db2.gz DBNKCHQERIUTEZ-AWEZNQCLSA-N 0 1 386.286 3.260 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2cnc(C(=O)[O-])cn2)C1 ZINC001599579190 998498896 /nfs/dbraw/zinc/49/88/96/998498896.db2.gz ORHCIGDGNVVFDK-ZDUSSCGKSA-N 0 1 375.856 3.292 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001594148985 998511007 /nfs/dbraw/zinc/51/10/07/998511007.db2.gz GOUYZNDVFXRCJS-JLSDUUJJSA-N 0 1 393.915 3.199 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001594148985 998511019 /nfs/dbraw/zinc/51/10/19/998511019.db2.gz GOUYZNDVFXRCJS-JLSDUUJJSA-N 0 1 393.915 3.199 20 0 GGADMN COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2C)cc1 ZINC001599580646 998524640 /nfs/dbraw/zinc/52/46/40/998524640.db2.gz MEGLKPXGGYFJSL-LEWJYISDSA-N 0 1 383.492 3.099 20 0 GGADMN COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)Cc2[nH]c(C)[nH+]c2C)c1 ZINC001599475632 998527025 /nfs/dbraw/zinc/52/70/25/998527025.db2.gz XZGQIFDTCGRSEB-HNNXBMFYSA-N 0 1 382.258 3.055 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1Br ZINC001598971906 998531618 /nfs/dbraw/zinc/53/16/18/998531618.db2.gz KOZQQDVXLQBGGD-INIZCTEOSA-N 0 1 392.249 3.493 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1Br ZINC001598971908 998532120 /nfs/dbraw/zinc/53/21/20/998532120.db2.gz KOZQQDVXLQBGGD-MRXNPFEDSA-N 0 1 392.249 3.493 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1Cl ZINC001598972312 998540084 /nfs/dbraw/zinc/54/00/84/998540084.db2.gz OSAWNCJAOXDKKM-QGZVFWFLSA-N 0 1 377.824 3.393 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001598973039 998553144 /nfs/dbraw/zinc/55/31/44/998553144.db2.gz WFNXGDWFJZFZBE-UHFFFAOYSA-N 0 1 377.824 3.336 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001599273086 998570257 /nfs/dbraw/zinc/57/02/57/998570257.db2.gz GIUXHMIPISHSFR-WDEREUQCSA-N 0 1 390.249 3.176 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001599273086 998570265 /nfs/dbraw/zinc/57/02/65/998570265.db2.gz GIUXHMIPISHSFR-WDEREUQCSA-N 0 1 390.249 3.176 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c(F)c1 ZINC001598974449 998577715 /nfs/dbraw/zinc/57/77/15/998577715.db2.gz KXTZJBPHDISRJY-ZDUSSCGKSA-N 0 1 378.425 3.147 20 0 GGADMN COCO[C@@H](C)c1cc(F)c(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1Br ZINC001599273728 998579585 /nfs/dbraw/zinc/57/95/85/998579585.db2.gz YBLFQVWSUIHOEG-QWRGUYRKSA-N 0 1 392.265 3.422 20 0 GGADMN COCO[C@H](C)c1cc(F)c(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1Br ZINC001599273729 998580061 /nfs/dbraw/zinc/58/00/61/998580061.db2.gz YBLFQVWSUIHOEG-WDEREUQCSA-N 0 1 392.265 3.422 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001594161345 998600773 /nfs/dbraw/zinc/60/07/73/998600773.db2.gz GJRXWSQNWVMIAW-GWCFXTLKSA-N 0 1 378.778 3.030 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001594161345 998600780 /nfs/dbraw/zinc/60/07/80/998600780.db2.gz GJRXWSQNWVMIAW-GWCFXTLKSA-N 0 1 378.778 3.030 20 0 GGADMN COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001598976595 998605752 /nfs/dbraw/zinc/60/57/52/998605752.db2.gz YWIMXVRPPMBCNY-LLVKDONJSA-N 0 1 380.853 3.271 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001594165771 998619527 /nfs/dbraw/zinc/61/95/27/998619527.db2.gz GJJYBLKFVXIEIF-OXJNMPFZSA-N 0 1 382.460 3.389 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166015 998622277 /nfs/dbraw/zinc/62/22/77/998622277.db2.gz MGZWTHVSMSIPQW-HEFCMCLBSA-N 0 1 386.879 3.341 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166014 998622788 /nfs/dbraw/zinc/62/27/88/998622788.db2.gz MGZWTHVSMSIPQW-DJKXOVBDSA-N 0 1 386.879 3.341 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001594166622 998633711 /nfs/dbraw/zinc/63/37/11/998633711.db2.gz YXUAAHFJQBSSAT-DOTOQJQBSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001594168240 998649114 /nfs/dbraw/zinc/64/91/14/998649114.db2.gz UYTPXZBSBQZVBN-OXQOHEQNSA-N 0 1 376.460 3.288 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594176589 998679355 /nfs/dbraw/zinc/67/93/55/998679355.db2.gz IUOZEXDLVAZJBO-KSZLIROESA-N 0 1 395.503 3.307 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176656 998680313 /nfs/dbraw/zinc/68/03/13/998680313.db2.gz KIAJQXQSKWCOFQ-FGTMMUONSA-N 0 1 380.488 3.437 20 0 GGADMN COC(=O)c1ccc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])nc2c1 ZINC001598988827 998718271 /nfs/dbraw/zinc/71/82/71/998718271.db2.gz VGTRFSOIHNOFDK-CQSZACIVSA-N 0 1 381.432 3.072 20 0 GGADMN C[C@@H]1[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001594189898 998736466 /nfs/dbraw/zinc/73/64/66/998736466.db2.gz CKCGGFHKAXVRAX-SJKOYZFVSA-N 0 1 389.402 3.448 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594190551 998740059 /nfs/dbraw/zinc/74/00/59/998740059.db2.gz JDRMGVTUZYUGTC-FOIQADDNSA-N 0 1 379.460 3.073 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC[N@H+]1Cc1ccccc1 ZINC001594190742 998742179 /nfs/dbraw/zinc/74/21/79/998742179.db2.gz MAZVETQXABHDTC-IERDGZPVSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC[N@H+]1Cc1ccccc1 ZINC001594191598 998749704 /nfs/dbraw/zinc/74/97/04/998749704.db2.gz AZKHTYLWVVMVCL-DYVFJYSZSA-N 0 1 393.447 3.046 20 0 GGADMN COC(=O)c1cccc([C@@H]([NH2+][C@@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC001598992995 998753850 /nfs/dbraw/zinc/75/38/50/998753850.db2.gz AQZIFEBHZNFZJC-VQTJNVASSA-N 0 1 382.460 3.026 20 0 GGADMN COC(=O)c1cccc([C@@H]([NH2+][C@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC001598992996 998754062 /nfs/dbraw/zinc/75/40/62/998754062.db2.gz AQZIFEBHZNFZJC-WOJBJXKFSA-N 0 1 382.460 3.026 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC001598995243 998773155 /nfs/dbraw/zinc/77/31/55/998773155.db2.gz GSJVWBVQDICKLD-SFTDATJTSA-N 0 1 397.471 3.323 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC001598995243 998773159 /nfs/dbraw/zinc/77/31/59/998773159.db2.gz GSJVWBVQDICKLD-SFTDATJTSA-N 0 1 397.471 3.323 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC001598995241 998773250 /nfs/dbraw/zinc/77/32/50/998773250.db2.gz GSJVWBVQDICKLD-RTWAWAEBSA-N 0 1 397.471 3.323 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC001598995241 998773254 /nfs/dbraw/zinc/77/32/54/998773254.db2.gz GSJVWBVQDICKLD-RTWAWAEBSA-N 0 1 397.471 3.323 20 0 GGADMN 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COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001598997194 998790633 /nfs/dbraw/zinc/79/06/33/998790633.db2.gz RFGMWBSVSLZDCH-IBGZPJMESA-N 0 1 391.427 3.265 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c1 ZINC001598997492 998792773 /nfs/dbraw/zinc/79/27/73/998792773.db2.gz SQCRKTFTFPUORZ-QFBILLFUSA-N 0 1 387.407 3.236 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC001598997472 998793081 /nfs/dbraw/zinc/79/30/81/998793081.db2.gz MGTJNNICHNKIAL-HXUWFJFHSA-N 0 1 378.428 3.447 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC001598997472 998793082 /nfs/dbraw/zinc/79/30/82/998793082.db2.gz MGTJNNICHNKIAL-HXUWFJFHSA-N 0 1 378.428 3.447 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001598998056 998798448 /nfs/dbraw/zinc/79/84/48/998798448.db2.gz WPUAQWXNDVVRBX-RDTXWAMCSA-N 0 1 388.489 3.039 20 0 GGADMN COC(=O)c1cccc([C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)C(=O)[O-])c1 ZINC001598998879 998806065 /nfs/dbraw/zinc/80/60/65/998806065.db2.gz RMXLQWZMXPKVOM-OAQYLSRUSA-N 0 1 396.487 3.162 20 0 GGADMN COC(=O)c1cccc2c1OCC[N@H+](Cc1ccnc3c(C(=O)[O-])cccc13)C2 ZINC001599003801 998841928 /nfs/dbraw/zinc/84/19/28/998841928.db2.gz XITDINLMQVTXSW-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1cccc2c1OCC[N@@H+](Cc1ccnc3c(C(=O)[O-])cccc13)C2 ZINC001599003801 998841933 /nfs/dbraw/zinc/84/19/33/998841933.db2.gz XITDINLMQVTXSW-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1ccoc1C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001599004382 998845209 /nfs/dbraw/zinc/84/52/09/998845209.db2.gz KGDAIBMDNSJBDI-UHFFFAOYSA-N 0 1 396.237 3.306 20 0 GGADMN COC(=O)c1ccoc1C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001599004382 998845214 /nfs/dbraw/zinc/84/52/14/998845214.db2.gz KGDAIBMDNSJBDI-UHFFFAOYSA-N 0 1 396.237 3.306 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001594226387 998867470 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HEGIIERDJNNWNT-LLVKDONJSA-N 0 1 380.491 3.377 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001594232216 998883199 /nfs/dbraw/zinc/88/31/99/998883199.db2.gz GDIKORCPNWGHFU-KVPLUYHFSA-N 0 1 387.524 3.039 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)s1 ZINC001599009605 998886118 /nfs/dbraw/zinc/88/61/18/998886118.db2.gz QXFRXVJOOZEIHZ-ABAIWWIYSA-N 0 1 378.425 3.074 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC001594233626 998890521 /nfs/dbraw/zinc/89/05/21/998890521.db2.gz YDLCRJZULUCLJB-IJNCOMJVSA-N 0 1 399.535 3.086 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001594235818 998897331 /nfs/dbraw/zinc/89/73/31/998897331.db2.gz FOFOCNLHKKKPSV-AXVVYFOYSA-N 0 1 387.524 3.169 20 0 GGADMN C[C@@H]1C[C@@H](C[N@H+]2CCOc3c(Br)cc(C(=O)[O-])cc3C2)CCO1 ZINC001594235924 998899037 /nfs/dbraw/zinc/89/90/37/998899037.db2.gz MCLFFXPDZYAVNN-NEPJUHHUSA-N 0 1 384.270 3.157 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001594236333 998900814 /nfs/dbraw/zinc/90/08/14/998900814.db2.gz IIJRHFIKQREMPJ-HLVUACMISA-N 0 1 387.524 3.217 20 0 GGADMN CC(C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001594236413 998901481 /nfs/dbraw/zinc/90/14/81/998901481.db2.gz JKZIHVJDIZCCEI-CALCHBBNSA-N 0 1 391.560 3.071 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594237540 998904927 /nfs/dbraw/zinc/90/49/27/998904927.db2.gz KVFPGPUWDNHBNT-QWQRMKEZSA-N 0 1 383.330 3.316 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594237540 998904928 /nfs/dbraw/zinc/90/49/28/998904928.db2.gz KVFPGPUWDNHBNT-QWQRMKEZSA-N 0 1 383.330 3.316 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001594244981 998933972 /nfs/dbraw/zinc/93/39/72/998933972.db2.gz CLQAJQDDJVIZLO-UXPWSPDFSA-N 0 1 387.524 3.182 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC001594244940 998933982 /nfs/dbraw/zinc/93/39/82/998933982.db2.gz BPVXUJJDYRUVSP-CRAIPNDOSA-N 0 1 382.464 3.297 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC[N@H+]1C ZINC001594245075 998934564 /nfs/dbraw/zinc/93/45/64/998934564.db2.gz FSCHQFXMAWVDTG-WBVHZDCISA-N 0 1 388.512 3.322 20 0 GGADMN COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599017542 998951574 /nfs/dbraw/zinc/95/15/74/998951574.db2.gz KLELHCWEWXDQIM-NWDGAFQWSA-N 0 1 378.450 3.470 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C[N@H+]1Cc1ccccc1 ZINC001594253642 998976500 /nfs/dbraw/zinc/97/65/00/998976500.db2.gz ROXLEROWQMSLIY-KKSFZXQISA-N 0 1 393.487 3.116 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC001594254121 998979079 /nfs/dbraw/zinc/97/90/79/998979079.db2.gz YARNLZFCLKTCPS-TXXUCJGISA-N 0 1 385.508 3.078 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H](CC(C)C)C2)c(C(=O)[O-])c1C ZINC001599021144 998980165 /nfs/dbraw/zinc/98/01/65/998980165.db2.gz NEZMNZBZUZREEW-ZDUSSCGKSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H](CC(C)C)C2)c(C(=O)[O-])c1C ZINC001599021144 998980167 /nfs/dbraw/zinc/98/01/67/998980167.db2.gz NEZMNZBZUZREEW-ZDUSSCGKSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C)c(C(=O)[O-])c1C ZINC001599021406 998982120 /nfs/dbraw/zinc/98/21/20/998982120.db2.gz PMVNOAZLEMREPU-JTQLQIEISA-N 0 1 384.498 3.094 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)C)C2)c(C(=O)[O-])c1C ZINC001599021604 998984407 /nfs/dbraw/zinc/98/44/07/998984407.db2.gz UIOPBDNLAKIQDD-LBPRGKRZSA-N 0 1 396.509 3.238 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CC(C)(C)CCC2(C)C)c(C(=O)[O-])c1C ZINC001599021757 998985886 /nfs/dbraw/zinc/98/58/86/998985886.db2.gz XRGHEVUEEXYHSQ-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CC(C)(C)CCC2(C)C)c(C(=O)[O-])c1C ZINC001599021757 998985891 /nfs/dbraw/zinc/98/58/91/998985891.db2.gz XRGHEVUEEXYHSQ-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN CO[C@H](C(=O)[O-])c1ccccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001599026464 999019391 /nfs/dbraw/zinc/01/93/91/999019391.db2.gz LMMWBSRWHBAVMZ-NQIIRXRSSA-N 0 1 385.460 3.129 20 0 GGADMN CC1CC(n2nnc3c2C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC3)C1 ZINC001594273121 999059183 /nfs/dbraw/zinc/05/91/83/999059183.db2.gz YXWHPIQJYUQOPT-KDTYNDQISA-N 0 1 394.397 3.452 20 0 GGADMN CC1CC(n2nnc3c2C[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC3)C1 ZINC001594273121 999059188 /nfs/dbraw/zinc/05/91/88/999059188.db2.gz YXWHPIQJYUQOPT-KDTYNDQISA-N 0 1 394.397 3.452 20 0 GGADMN CO[C@@](C)(C[N@@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1)C1CC1 ZINC001599037219 999091405 /nfs/dbraw/zinc/09/14/05/999091405.db2.gz UXMLLLPJWOPFDQ-KRWDZBQOSA-N 0 1 384.270 3.157 20 0 GGADMN CO[C@@](C)(C[N@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1)C1CC1 ZINC001599037219 999091409 /nfs/dbraw/zinc/09/14/09/999091409.db2.gz UXMLLLPJWOPFDQ-KRWDZBQOSA-N 0 1 384.270 3.157 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)C[N@H+]2C1 ZINC001594285363 999105534 /nfs/dbraw/zinc/10/55/34/999105534.db2.gz PVZDNSWQCKCKSL-BMYMKOSGSA-N 0 1 390.911 3.087 20 0 GGADMN C[C@H]1CC2(C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594286968 999110500 /nfs/dbraw/zinc/11/05/00/999110500.db2.gz WIEVQVKJZOGAFM-AWEZNQCLSA-N 0 1 377.485 3.324 20 0 GGADMN C[C@H]1CC2(C[N@H+]1Cc1cncc(C(=O)[O-])c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594287346 999111763 /nfs/dbraw/zinc/11/17/63/999111763.db2.gz WGMCCSKWTRVOFA-HNNXBMFYSA-N 0 1 389.496 3.391 20 0 GGADMN CO[C@H](C)c1nc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cs1 ZINC001599042866 999130061 /nfs/dbraw/zinc/13/00/61/999130061.db2.gz RIGGBFBZXPLMAB-NWDGAFQWSA-N 0 1 377.466 3.056 20 0 GGADMN CO[C@H](CC(C)C)C[N@@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001599045750 999149529 /nfs/dbraw/zinc/14/95/29/999149529.db2.gz TVBKHWZFHGEPMO-CQSZACIVSA-N 0 1 386.286 3.403 20 0 GGADMN CO[C@H](CC(C)C)C[N@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001599045750 999149531 /nfs/dbraw/zinc/14/95/31/999149531.db2.gz TVBKHWZFHGEPMO-CQSZACIVSA-N 0 1 386.286 3.403 20 0 GGADMN CO[C@@H](C[N@@H+](Cc1ccccc1)[C@H](C(=O)[O-])[C@@H](C)O)c1ccc(Cl)cc1 ZINC001599048649 999170631 /nfs/dbraw/zinc/17/06/31/999170631.db2.gz WRDADDMYJBTEKQ-CCKFTAQKSA-N 0 1 377.868 3.364 20 0 GGADMN CC1CCC(N(C(=O)C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)C2CC2)CC1 ZINC001594306739 999184677 /nfs/dbraw/zinc/18/46/77/999184677.db2.gz KNSIESKWARNMOA-SLTAFYQDSA-N 0 1 391.537 3.200 20 0 GGADMN CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001594309898 999197648 /nfs/dbraw/zinc/19/76/48/999197648.db2.gz PDIKOWJDXOXTPL-SHARSMKWSA-N 0 1 379.526 3.058 20 0 GGADMN CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001594309898 999197649 /nfs/dbraw/zinc/19/76/49/999197649.db2.gz PDIKOWJDXOXTPL-SHARSMKWSA-N 0 1 379.526 3.058 20 0 GGADMN C[C@@H]1CC[C@]([NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)(C(=O)[O-])c2ccccc21 ZINC001594321375 999235516 /nfs/dbraw/zinc/23/55/16/999235516.db2.gz CQODQCXEYYNYCS-JLCFBVMHSA-N 0 1 398.507 3.123 20 0 GGADMN C[C@H]1CC[C@]([NH2+]CC(=O)NCc2cc(F)cc(F)c2)(C(=O)[O-])c2ccccc21 ZINC001594324111 999249490 /nfs/dbraw/zinc/24/94/90/999249490.db2.gz XZNIAFVQDLDCJT-YEJXKQKISA-N 0 1 388.414 3.048 20 0 GGADMN C[C@H]1CC[C@]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594324311 999250804 /nfs/dbraw/zinc/25/08/04/999250804.db2.gz ZGXZJGWALVPARL-OYHNWAKOSA-N 0 1 396.491 3.404 20 0 GGADMN C[C@@H]1CC[C@](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)(C(=O)[O-])c2ccccc21 ZINC001594324486 999251706 /nfs/dbraw/zinc/25/17/06/999251706.db2.gz ZJKHDCKMLGYBDX-PUCZYUMASA-N 0 1 376.472 3.193 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001594375003 999413925 /nfs/dbraw/zinc/41/39/25/999413925.db2.gz INTXEGDCTAILRI-UONOGXRCSA-N 0 1 394.541 3.109 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001594375078 999414373 /nfs/dbraw/zinc/41/43/73/999414373.db2.gz WTEBHQHHBONNLO-CABCVRRESA-N 0 1 390.505 3.079 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594375261 999415107 /nfs/dbraw/zinc/41/51/07/999415107.db2.gz MJGQDOYCKHGCSZ-IAGOWNOFSA-N 0 1 391.560 3.042 20 0 GGADMN C[C@H]1CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC[C@H]1C(=O)[O-] ZINC001594375367 999415985 /nfs/dbraw/zinc/41/59/85/999415985.db2.gz PIECTRBVFIRIGY-RCCFBDPRSA-N 0 1 388.508 3.123 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001594375561 999417823 /nfs/dbraw/zinc/41/78/23/999417823.db2.gz XUFGSQRAJXPVJT-HNNXBMFYSA-N 0 1 397.475 3.473 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001594376386 999419667 /nfs/dbraw/zinc/41/96/67/999419667.db2.gz NRFGSCQOFINSJJ-INIZCTEOSA-N 0 1 381.476 3.013 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594376367 999419790 /nfs/dbraw/zinc/41/97/90/999419790.db2.gz NCOBVMQUSJEOAC-OAHLLOKOSA-N 0 1 382.464 3.476 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001594376645 999421686 /nfs/dbraw/zinc/42/16/86/999421686.db2.gz ZMKPSSWRTSULID-NYDSKATKSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC001594380636 999438478 /nfs/dbraw/zinc/43/84/78/999438478.db2.gz RGYJVOQTMVZMOG-QXAKKESOSA-N 0 1 387.524 3.007 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cccc1C(=O)[O-] ZINC001594382322 999440915 /nfs/dbraw/zinc/44/09/15/999440915.db2.gz AFIOCJGFSCCVAR-GJZGRUSLSA-N 0 1 377.485 3.414 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594382737 999443774 /nfs/dbraw/zinc/44/37/74/999443774.db2.gz BECVYJQNSBQGDA-PBHICJAKSA-N 0 1 377.485 3.295 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594382739 999443864 /nfs/dbraw/zinc/44/38/64/999443864.db2.gz BECVYJQNSBQGDA-WMLDXEAASA-N 0 1 377.485 3.295 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001594383408 999447547 /nfs/dbraw/zinc/44/75/47/999447547.db2.gz JEIBBOSFOKFRCL-HNNXBMFYSA-N 0 1 382.464 3.333 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])n2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594383376 999447625 /nfs/dbraw/zinc/44/76/25/999447625.db2.gz ISCXPNYKCLDZDQ-ZBFHGGJFSA-N 0 1 379.501 3.239 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594383485 999448548 /nfs/dbraw/zinc/44/85/48/999448548.db2.gz NBJSWPLKVRVRSO-RYRKJORJSA-N 0 1 375.513 3.258 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594383825 999451268 /nfs/dbraw/zinc/45/12/68/999451268.db2.gz MAHUCVVOABTGMH-RHSMWYFYSA-N 0 1 377.485 3.295 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594384046 999452882 /nfs/dbraw/zinc/45/28/82/999452882.db2.gz RNGDWSMNGDIFDK-HZPDHXFCSA-N 0 1 388.512 3.227 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)cc2)C1 ZINC001594384201 999453898 /nfs/dbraw/zinc/45/38/98/999453898.db2.gz OZZCRDAYMVIYMJ-DBVUQKKJSA-N 0 1 387.524 3.361 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C[C@H]1CC(=O)[O-] ZINC001594384209 999454172 /nfs/dbraw/zinc/45/41/72/999454172.db2.gz PBMOBNDDGIZKLI-SQGPQFPESA-N 0 1 387.524 3.171 20 0 GGADMN C[C@H]1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC001594384279 999454547 /nfs/dbraw/zinc/45/45/47/999454547.db2.gz QGZXTCIIWCXUMD-MAUKXSAKSA-N 0 1 392.496 3.389 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ncc(C(=O)[O-])s2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594384356 999455252 /nfs/dbraw/zinc/45/52/52/999455252.db2.gz MWHTYBRNEZGCFE-QWHCGFSZSA-N 0 1 383.514 3.357 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ncc(C(=O)[O-])s2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001594384356 999455254 /nfs/dbraw/zinc/45/52/54/999455254.db2.gz MWHTYBRNEZGCFE-QWHCGFSZSA-N 0 1 383.514 3.357 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594384658 999458325 /nfs/dbraw/zinc/45/83/25/999458325.db2.gz XNQWSECWXJKACZ-RYUDHWBXSA-N 0 1 398.301 3.389 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001594384847 999459538 /nfs/dbraw/zinc/45/95/38/999459538.db2.gz WYCACYVMKGUVSO-UYMUPBKUSA-N 0 1 399.535 3.217 20 0 GGADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594412927 999543323 /nfs/dbraw/zinc/54/33/23/999543323.db2.gz VXGPCUINPQQCEU-CPUCHLNUSA-N 0 1 380.460 3.434 20 0 GGADMN C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)C1 ZINC001594420206 999569433 /nfs/dbraw/zinc/56/94/33/999569433.db2.gz UEKVYPWWXVISOV-HNNXBMFYSA-N 0 1 398.507 3.097 20 0 GGADMN C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)C1 ZINC001594420207 999569482 /nfs/dbraw/zinc/56/94/82/999569482.db2.gz UEKVYPWWXVISOV-OAHLLOKOSA-N 0 1 398.507 3.097 20 0 GGADMN CC1CC[NH+](Cc2cccc(CN[C@@H]3CCCn4nc(C(=O)[O-])cc43)c2)CC1 ZINC001594424255 999586807 /nfs/dbraw/zinc/58/68/07/999586807.db2.gz QBYFZQLGEKVQEP-LJQANCHMSA-N 0 1 382.508 3.438 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2CC(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001594426013 999591066 /nfs/dbraw/zinc/59/10/66/999591066.db2.gz FRIRNRCKIUYVEP-CRAIPNDOSA-N 0 1 376.497 3.296 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCOC(C)(C)C3)c2C(=O)[O-])C1 ZINC001594443242 999630728 /nfs/dbraw/zinc/63/07/28/999630728.db2.gz BUSQIRUSVGKCCV-GFCCVEGCSA-N 0 1 380.510 3.011 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCOC(C)(C)C3)c2C(=O)[O-])C1 ZINC001594443242 999630732 /nfs/dbraw/zinc/63/07/32/999630732.db2.gz BUSQIRUSVGKCCV-GFCCVEGCSA-N 0 1 380.510 3.011 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c2C(=O)[O-])C1 ZINC001594443439 999631392 /nfs/dbraw/zinc/63/13/92/999631392.db2.gz FJTPGNGVHHQKGS-DYZYQPBXSA-N 0 1 384.448 3.241 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@@]4(CC4(F)F)C3)c2C(=O)[O-])C1 ZINC001594443439 999631393 /nfs/dbraw/zinc/63/13/93/999631393.db2.gz FJTPGNGVHHQKGS-DYZYQPBXSA-N 0 1 384.448 3.241 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@]4(CC4(F)F)C3)c2C(=O)[O-])C1 ZINC001594443442 999631534 /nfs/dbraw/zinc/63/15/34/999631534.db2.gz FJTPGNGVHHQKGS-QGHHPUGFSA-N 0 1 384.448 3.241 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@]4(CC4(F)F)C3)c2C(=O)[O-])C1 ZINC001594443442 999631537 /nfs/dbraw/zinc/63/15/37/999631537.db2.gz FJTPGNGVHHQKGS-QGHHPUGFSA-N 0 1 384.448 3.241 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(C[N@H+]4C[C@@H]5CCC[C@H]5[C@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444155 999633006 /nfs/dbraw/zinc/63/30/06/999633006.db2.gz NIJQHEPFWSYRTD-DRAKQNMHSA-N 0 1 386.521 3.083 20 0 GGADMN 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379.426 3.306 20 0 GGADMN COc1cc2c(cc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)OCO2 ZINC000680542483 1126105795 /nfs/dbraw/zinc/10/57/95/1126105795.db2.gz SEFHTBFEEQDGON-KDOFPFPSSA-N 0 1 383.366 3.048 20 0 GGADMN OC[C@@H](Cc1ccc(F)cc1)NCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812843655 1126110748 /nfs/dbraw/zinc/11/07/48/1126110748.db2.gz PSIFPFALYPXAGJ-CQSZACIVSA-N 0 1 383.822 3.357 20 0 GGADMN CC(C)(C)c1csc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])n1 ZINC000864508606 1126113255 /nfs/dbraw/zinc/11/32/55/1126113255.db2.gz BRKLNMDDSMUKSU-CQSZACIVSA-N 0 1 390.505 3.387 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2csc(-c3ccccn3)n2)cc1OC ZINC000873191938 1126119944 /nfs/dbraw/zinc/11/99/44/1126119944.db2.gz UYLACNOSNVSIOX-NRFANRHFSA-N 0 1 399.516 3.306 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2occc2Br)cc1OC ZINC000873192064 1126120209 /nfs/dbraw/zinc/12/02/09/1126120209.db2.gz XMMKTCGGWDKECA-KRWDZBQOSA-N 0 1 384.270 3.143 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000933426397 1126138133 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O=C(Nc1nnc2n1CCCC2)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000541885032 532761356 /nfs/dbraw/zinc/76/13/56/532761356.db2.gz LTULFPMZFZXKHW-UHFFFAOYSA-N 0 1 387.241 3.019 20 0 GGADMN COc1cccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1OC ZINC000063561787 209127805 /nfs/dbraw/zinc/12/78/05/209127805.db2.gz JQUJVYSEHNVHRA-IAGOWNOFSA-N 0 1 398.503 3.243 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000007128204 209128873 /nfs/dbraw/zinc/12/88/73/209128873.db2.gz CGAOWTIMQXGXNP-SFHVURJKSA-N 0 1 375.411 3.074 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000005678355 209123954 /nfs/dbraw/zinc/12/39/54/209123954.db2.gz WQSAPCIIUSNVLF-UHFFFAOYSA-N 0 1 385.424 3.300 20 0 GGADMN Cc1nc(CCC(=O)N2CCNC[C@@H]2C)oc1-c1ccc(Br)cc1 ZINC000131247328 209114161 /nfs/dbraw/zinc/11/41/61/209114161.db2.gz RTYUQEXMVLJJEA-LBPRGKRZSA-N 0 1 392.297 3.165 20 0 GGADMN C[N@H+]1CCN(CCCNC(=O)c2cc3ccccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000033135661 206225489 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HTVDJTNEJCTVKJ-AEFFLSMTSA-N 0 1 388.309 3.234 20 0 GGADMN Brc1ccc(-c2c[nH]c(CNCCOC[C@H]3CCCO3)n2)cc1 ZINC000115625757 564196673 /nfs/dbraw/zinc/19/66/73/564196673.db2.gz KAABDYIMUXKNLJ-OAHLLOKOSA-N 0 1 380.286 3.124 20 0 GGADMN CN(C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1cccs1 ZINC000115941112 564201421 /nfs/dbraw/zinc/20/14/21/564201421.db2.gz UAQVPRIXKMCSKP-SNVBAGLBSA-N 0 1 383.315 3.144 20 0 GGADMN O=C1CCc2cc(Br)c(S(=O)(=O)Nc3cccc(F)c3)cc2N1 ZINC000116158265 564204406 /nfs/dbraw/zinc/20/44/06/564204406.db2.gz DBCWNSMNCZWYGW-UHFFFAOYSA-N 0 1 399.241 3.274 20 0 GGADMN CSc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000116222336 564205200 /nfs/dbraw/zinc/20/52/00/564205200.db2.gz MBPWSPHTELGNJO-UHFFFAOYSA-N 0 1 376.547 3.351 20 0 GGADMN C[NH+](C)CC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(C)(C)C ZINC000116372426 564208706 /nfs/dbraw/zinc/20/87/06/564208706.db2.gz ZBOWOTRPLNPUNA-LLVKDONJSA-N 0 1 383.377 3.155 20 0 GGADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000116712438 564215217 /nfs/dbraw/zinc/21/52/17/564215217.db2.gz IWZUGDNRZCXGPY-XMMPIXPASA-N 0 1 389.445 3.276 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000116785346 564217036 /nfs/dbraw/zinc/21/70/36/564217036.db2.gz FSWNHLRBIOSEGT-UHFFFAOYSA-N 0 1 377.286 3.017 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000116897569 564218833 /nfs/dbraw/zinc/21/88/33/564218833.db2.gz RIQRUABFEZSZBJ-UHFFFAOYSA-N 0 1 389.359 3.171 20 0 GGADMN CN1CC[N@@H+](C)C[C@H]1CNc1ccc2c(Br)ccc(Cl)c2n1 ZINC000539399753 564219237 /nfs/dbraw/zinc/21/92/37/564219237.db2.gz YQKUVILJOCJWRO-LLVKDONJSA-N 0 1 383.721 3.308 20 0 GGADMN CN1CCN(C)[C@H](CNc2ccc3c(Br)ccc(Cl)c3n2)C1 ZINC000539399753 564219244 /nfs/dbraw/zinc/21/92/44/564219244.db2.gz YQKUVILJOCJWRO-LLVKDONJSA-N 0 1 383.721 3.308 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000006083301 564220641 /nfs/dbraw/zinc/22/06/41/564220641.db2.gz QBQQEJSAYNPMLS-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000117114741 564221726 /nfs/dbraw/zinc/22/17/26/564221726.db2.gz PMCBXMSQRBZVKF-UHFFFAOYSA-N 0 1 375.841 3.260 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(C)=O)cc1Br ZINC000006328852 564222232 /nfs/dbraw/zinc/22/22/32/564222232.db2.gz USFXCKRCWKQWAD-UHFFFAOYSA-N 0 1 384.251 3.461 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCC[C@H](C)C2)n1 ZINC000006464274 564224603 /nfs/dbraw/zinc/22/46/03/564224603.db2.gz ZIDPEXPAYAJROZ-NSHDSACASA-N 0 1 380.901 3.484 20 0 GGADMN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000006587201 564225220 /nfs/dbraw/zinc/22/52/20/564225220.db2.gz XKPBPTFSRDIEIG-NSHDSACASA-N 0 1 381.885 3.110 20 0 GGADMN CC[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000117345860 564226397 /nfs/dbraw/zinc/22/63/97/564226397.db2.gz WTBXYUMARQFQJN-CQSZACIVSA-N 0 1 396.329 3.016 20 0 GGADMN Cc1csc(CNCCC(=O)N(C)Cc2ccccc2Br)n1 ZINC000117385884 564226686 /nfs/dbraw/zinc/22/66/86/564226686.db2.gz JHLXNHRJQIDRBL-UHFFFAOYSA-N 0 1 382.327 3.352 20 0 GGADMN CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(N)cc(N)n1 ZINC000006831859 564228121 /nfs/dbraw/zinc/22/81/21/564228121.db2.gz CSWLPAWPMRJNSM-UHFFFAOYSA-N 0 1 378.454 3.464 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000007052694 564231835 /nfs/dbraw/zinc/23/18/35/564231835.db2.gz KFEBURKTSSPMTD-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000117942890 564234958 /nfs/dbraw/zinc/23/49/58/564234958.db2.gz AKQZMZDAJFMXCE-AWEZNQCLSA-N 0 1 382.913 3.116 20 0 GGADMN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000007325544 564236442 /nfs/dbraw/zinc/23/64/42/564236442.db2.gz SYYUTWGTUPSBKB-UHFFFAOYSA-N 0 1 395.278 3.142 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1cccc(Br)c1)c1cccs1 ZINC000007408807 564237252 /nfs/dbraw/zinc/23/72/52/564237252.db2.gz DOMJMJANMSRRKH-AWEZNQCLSA-N 0 1 383.311 3.309 20 0 GGADMN NC(=O)[C@@H]1CCCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000007446931 564237342 /nfs/dbraw/zinc/23/73/42/564237342.db2.gz XTGCAZVSNZPOCD-GFCCVEGCSA-N 0 1 380.311 3.270 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000118301609 564238507 /nfs/dbraw/zinc/23/85/07/564238507.db2.gz ZWIZFVIVMRLJQA-UHFFFAOYSA-N 0 1 380.853 3.423 20 0 GGADMN CCCCOCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000118315308 564239787 /nfs/dbraw/zinc/23/97/87/564239787.db2.gz AYYLMGLGBMGTSD-UHFFFAOYSA-N 0 1 386.470 3.443 20 0 GGADMN Cn1cccc1[C@@H]1CCCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000007853978 564241813 /nfs/dbraw/zinc/24/18/13/564241813.db2.gz IYKATRMHSHUQMN-INIZCTEOSA-N 0 1 387.281 3.133 20 0 GGADMN NC(=O)CSc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007940339 564243367 /nfs/dbraw/zinc/24/33/67/564243367.db2.gz FKLVGGMIHZJKCU-UHFFFAOYSA-N 0 1 390.408 3.084 20 0 GGADMN CNC(=O)c1ccc(CN(C)Cc2ccc(OC)c(Br)c2)cc1 ZINC000007997941 564244669 /nfs/dbraw/zinc/24/46/69/564244669.db2.gz QPYADAPNIOAZCN-UHFFFAOYSA-N 0 1 377.282 3.449 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118794779 564245837 /nfs/dbraw/zinc/24/58/37/564245837.db2.gz RYIFZKVAYCYJPU-HNNXBMFYSA-N 0 1 396.329 3.334 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(Br)c(C)c3)CC2)c1 ZINC000118949459 564248128 /nfs/dbraw/zinc/24/81/28/564248128.db2.gz YTOVSAVAVJHRDY-UHFFFAOYSA-N 0 1 390.281 3.124 20 0 GGADMN O=[S@](CCN1CCC[C@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000119010988 564250366 /nfs/dbraw/zinc/25/03/66/564250366.db2.gz NOIBJIZFNHKAAH-RZFZLAGVSA-N 0 1 387.336 3.105 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119028764 564251153 /nfs/dbraw/zinc/25/11/53/564251153.db2.gz MDRZMIPQGLFUEU-OLZOCXBDSA-N 0 1 382.295 3.324 20 0 GGADMN CN1CCN(CCNc2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000540646508 564253201 /nfs/dbraw/zinc/25/32/01/564253201.db2.gz PDJOVLKRJKBNPY-UHFFFAOYSA-N 0 1 383.721 3.310 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1n[nH]c2ccccc21 ZINC000009314120 564253412 /nfs/dbraw/zinc/25/34/12/564253412.db2.gz PWEPKLHISFXNAG-UHFFFAOYSA-N 0 1 387.237 3.002 20 0 GGADMN CC(C)(C)c1n[nH]c(SCCOCCSc2nnc(C(C)(C)C)[nH]2)n1 ZINC000119089087 564253940 /nfs/dbraw/zinc/25/39/40/564253940.db2.gz MPXMNNUCQJKYJV-UHFFFAOYSA-N 0 1 384.575 3.419 20 0 GGADMN CC(C)(C)c1n[nH]c(SCCOCCSc2nc(C(C)(C)C)n[nH]2)n1 ZINC000119089087 564253945 /nfs/dbraw/zinc/25/39/45/564253945.db2.gz MPXMNNUCQJKYJV-UHFFFAOYSA-N 0 1 384.575 3.419 20 0 GGADMN CC(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000011407684 564262720 /nfs/dbraw/zinc/26/27/20/564262720.db2.gz WIJLKCIJSCRPQL-UHFFFAOYSA-N 0 1 382.869 3.232 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cn2)CC1 ZINC000011556563 564263638 /nfs/dbraw/zinc/26/36/38/564263638.db2.gz MQKYATLIFGQECY-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C2CC2)n[nH]1 ZINC000011471119 564264077 /nfs/dbraw/zinc/26/40/77/564264077.db2.gz DIQDYCJLHGJEBW-UHFFFAOYSA-N 0 1 380.495 3.268 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(C2CC2)n1 ZINC000011471119 564264080 /nfs/dbraw/zinc/26/40/80/564264080.db2.gz DIQDYCJLHGJEBW-UHFFFAOYSA-N 0 1 380.495 3.268 20 0 GGADMN O=C(COc1cccnc1Cl)Nc1cccc(CN2CCSCC2)c1 ZINC000119323578 564265022 /nfs/dbraw/zinc/26/50/22/564265022.db2.gz AQJAAYITDBRZDJ-UHFFFAOYSA-N 0 1 377.897 3.301 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000119360754 564267178 /nfs/dbraw/zinc/26/71/78/564267178.db2.gz CNTSGPYRASHDHF-UHFFFAOYSA-N 0 1 383.322 3.400 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000119371475 564268043 /nfs/dbraw/zinc/26/80/43/564268043.db2.gz QVFBJGRHSDTMHD-UHFFFAOYSA-N 0 1 377.293 3.339 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1OC(F)(F)F ZINC000012548396 564268486 /nfs/dbraw/zinc/26/84/86/564268486.db2.gz RTWFZZNJQBKQKT-UHFFFAOYSA-N 0 1 375.324 3.157 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cn2)CC1 ZINC000012613387 564269192 /nfs/dbraw/zinc/26/91/92/564269192.db2.gz SSLKIGBWXCHPOB-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000012765363 564270876 /nfs/dbraw/zinc/27/08/76/564270876.db2.gz GABAGFPPOUFDGC-UHFFFAOYSA-N 0 1 382.835 3.264 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)NC3CCN(C4CC4)CC3)s2)cs1 ZINC000119480812 564273024 /nfs/dbraw/zinc/27/30/24/564273024.db2.gz HKPUWNSGIKXHKO-UHFFFAOYSA-N 0 1 383.564 3.085 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000119506899 564274226 /nfs/dbraw/zinc/27/42/26/564274226.db2.gz TZHAKJFXCXVHOJ-UHFFFAOYSA-N 0 1 385.580 3.285 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(Br)c1 ZINC000013592997 564277429 /nfs/dbraw/zinc/27/74/29/564277429.db2.gz DTZQJPNXCJQDSL-JTQLQIEISA-N 0 1 387.237 3.082 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(Br)cc1 ZINC000013593000 564277459 /nfs/dbraw/zinc/27/74/59/564277459.db2.gz FWHDTQHTRKKRJQ-JTQLQIEISA-N 0 1 387.237 3.082 20 0 GGADMN O=C(c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)N1CCCC1 ZINC000014051399 564279387 /nfs/dbraw/zinc/27/93/87/564279387.db2.gz PPNRKIPYLCCWRQ-UHFFFAOYSA-N 0 1 380.853 3.082 20 0 GGADMN CNC(=O)[C@H]1CCCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000119691223 564283024 /nfs/dbraw/zinc/28/30/24/564283024.db2.gz GTJUXHMVXKPSLP-LBPRGKRZSA-N 0 1 378.270 3.062 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(Br)c2)CCN1C[C@@H](C)O ZINC000119859010 564292166 /nfs/dbraw/zinc/29/21/66/564292166.db2.gz RIDVXCFGFDLDFU-UKRRQHHQSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1nc(Br)cs1 ZINC000119881120 564293131 /nfs/dbraw/zinc/29/31/31/564293131.db2.gz YZKBFRCJBRFCSV-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc(Br)cc(OC(C)C)c2)n[nH]1 ZINC000541904416 564294653 /nfs/dbraw/zinc/29/46/53/564294653.db2.gz RXXLTIVYFJXSPH-UHFFFAOYSA-N 0 1 396.241 3.388 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c(F)cccc1F ZINC000119968982 564298087 /nfs/dbraw/zinc/29/80/87/564298087.db2.gz YMTYGKYQZQILDV-CYBMUJFWSA-N 0 1 386.489 3.217 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000119996427 564298932 /nfs/dbraw/zinc/29/89/32/564298932.db2.gz SFAXFJWKPXNXDO-INIZCTEOSA-N 0 1 384.977 3.455 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2nc(Br)cs2)CC1 ZINC000120199412 564309194 /nfs/dbraw/zinc/30/91/94/564309194.db2.gz UIFAHYRHPNXQKW-LLVKDONJSA-N 0 1 395.326 3.256 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Br)o1 ZINC000021333284 564310026 /nfs/dbraw/zinc/31/00/26/564310026.db2.gz BHLDZNVSCIJMKT-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000120229422 564311039 /nfs/dbraw/zinc/31/10/39/564311039.db2.gz WFGCYOZZQVFVSC-GFCCVEGCSA-N 0 1 395.388 3.157 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000120229422 564311040 /nfs/dbraw/zinc/31/10/40/564311040.db2.gz WFGCYOZZQVFVSC-GFCCVEGCSA-N 0 1 395.388 3.157 20 0 GGADMN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(O)c(Cl)c3)n2)C[C@H](C)O1 ZINC000022297478 564315295 /nfs/dbraw/zinc/31/52/95/564315295.db2.gz BZJPYLWVXPPNTB-PHIMTYICSA-N 0 1 381.885 3.364 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000120356627 564316749 /nfs/dbraw/zinc/31/67/49/564316749.db2.gz JJHFCHPNPGPKHF-UHFFFAOYSA-N 0 1 375.780 3.370 20 0 GGADMN O=C(Cc1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000022462339 564317097 /nfs/dbraw/zinc/31/70/97/564317097.db2.gz OEEZGFPOWHKQSU-UHFFFAOYSA-N 0 1 395.341 3.143 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCN(C4CCCC4)C3)s2)cs1 ZINC000120416962 564318670 /nfs/dbraw/zinc/31/86/70/564318670.db2.gz VGTXGUOLFNRCSD-CYBMUJFWSA-N 0 1 397.591 3.475 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c(OC)c1 ZINC000022957446 564320719 /nfs/dbraw/zinc/32/07/19/564320719.db2.gz ALFQKDDRELBGIS-UHFFFAOYSA-N 0 1 377.340 3.403 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccsc1 ZINC000023133001 564321916 /nfs/dbraw/zinc/32/19/16/564321916.db2.gz JWKUMOFXFXEDNR-OAHLLOKOSA-N 0 1 375.519 3.215 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1Br ZINC000120501085 564322510 /nfs/dbraw/zinc/32/25/10/564322510.db2.gz VOFVAXZJXGSQHZ-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000023270059 564323313 /nfs/dbraw/zinc/32/33/13/564323313.db2.gz QKKPMVZHFNJOOZ-JTQLQIEISA-N 0 1 383.315 3.487 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)N2CCCCCC2)c2cccs2)CC1 ZINC000023396668 564324135 /nfs/dbraw/zinc/32/41/35/564324135.db2.gz OVSJVEQCYRNBIP-QGZVFWFLSA-N 0 1 385.599 3.232 20 0 GGADMN CN(CC1CCC1)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000120514461 564324196 /nfs/dbraw/zinc/32/41/96/564324196.db2.gz ZDZRFZNKIXSUPR-UHFFFAOYSA-N 0 1 378.274 3.176 20 0 GGADMN CN(CC1CCC1)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120514461 564324198 /nfs/dbraw/zinc/32/41/98/564324198.db2.gz ZDZRFZNKIXSUPR-UHFFFAOYSA-N 0 1 378.274 3.176 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)N2CCCCCC2)c2cccs2)CC1 ZINC000023396666 564324218 /nfs/dbraw/zinc/32/42/18/564324218.db2.gz OVSJVEQCYRNBIP-KRWDZBQOSA-N 0 1 385.599 3.232 20 0 GGADMN Cc1cccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1Br ZINC000120561379 564325643 /nfs/dbraw/zinc/32/56/43/564325643.db2.gz UIYBZGFQVMTYFZ-AWEZNQCLSA-N 0 1 396.329 3.475 20 0 GGADMN CC(C)N1CCc2[nH]c(=NC(=O)c3ccccc3Br)sc2C1 ZINC000023802639 564327737 /nfs/dbraw/zinc/32/77/37/564327737.db2.gz SULAQJGXOAXMIW-UHFFFAOYSA-N 0 1 380.311 3.346 20 0 GGADMN CCn1cc(NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)cn1 ZINC000024577196 564331790 /nfs/dbraw/zinc/33/17/90/564331790.db2.gz PLIVLRYOTONNKV-UHFFFAOYSA-N 0 1 394.678 3.128 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN(C)Cc1ccc(Br)o1 ZINC000120687317 564332312 /nfs/dbraw/zinc/33/23/12/564332312.db2.gz VTRSOAAOXOXQOJ-AWEZNQCLSA-N 0 1 384.270 3.060 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)c(Cl)cc1F ZINC000120696193 564333911 /nfs/dbraw/zinc/33/39/11/564333911.db2.gz APEPMBUBFKBWRY-UHFFFAOYSA-N 0 1 383.832 3.118 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCc2c(Br)cccc2C1 ZINC000120747591 564334878 /nfs/dbraw/zinc/33/48/78/564334878.db2.gz GSBUWKPTCPJGKP-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN Cc1cccc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000120761611 564335565 /nfs/dbraw/zinc/33/55/65/564335565.db2.gz UDHWDZVVKVVJAH-OKILXGFUSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1cccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000120761765 564335707 /nfs/dbraw/zinc/33/57/07/564335707.db2.gz UDHWDZVVKVVJAH-ZIAGYGMSSA-N 0 1 384.318 3.378 20 0 GGADMN O=C(Nc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc2c[nH]nc21 ZINC000120749052 564336011 /nfs/dbraw/zinc/33/60/11/564336011.db2.gz RDKZEFNXVKUHQD-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NCC(F)(F)F ZINC000025257052 564336577 /nfs/dbraw/zinc/33/65/77/564336577.db2.gz HAODPFOTLRYMRG-KCJUWKMLSA-N 0 1 395.834 3.243 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000025239395 564336648 /nfs/dbraw/zinc/33/66/48/564336648.db2.gz SPTWMMHPYUQVJR-SFYZADRCSA-N 0 1 386.201 3.421 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000025239386 564337017 /nfs/dbraw/zinc/33/70/17/564337017.db2.gz SPTWMMHPYUQVJR-JGVFFNPUSA-N 0 1 386.201 3.421 20 0 GGADMN CN(C)[C@H](CNC(=O)COCc1nc2ccccc2s1)c1ccsc1 ZINC000025330809 564337445 /nfs/dbraw/zinc/33/74/45/564337445.db2.gz CPXOCSKWBIOKGW-OAHLLOKOSA-N 0 1 375.519 3.294 20 0 GGADMN CN(CC(=O)NCc1ccc(Br)cc1Cl)[C@@H]1CCSC1 ZINC000120803449 564338262 /nfs/dbraw/zinc/33/82/62/564338262.db2.gz GNSUEOMODCYWNN-GFCCVEGCSA-N 0 1 377.735 3.156 20 0 GGADMN Cc1cccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1Br ZINC000120846774 564340169 /nfs/dbraw/zinc/34/01/69/564340169.db2.gz ATVJEMBNZCOIIG-INIZCTEOSA-N 0 1 397.361 3.151 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1cccc(Br)c1)c1ccsc1 ZINC000025810503 564341685 /nfs/dbraw/zinc/34/16/85/564341685.db2.gz ABHXEAXWHFXHGS-HNNXBMFYSA-N 0 1 383.311 3.309 20 0 GGADMN Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000120887301 564342223 /nfs/dbraw/zinc/34/22/23/564342223.db2.gz OGIRYCHRHDNGOG-UHFFFAOYSA-N 0 1 375.837 3.105 20 0 GGADMN O=C(Cc1ccc(Br)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120932890 564343816 /nfs/dbraw/zinc/34/38/16/564343816.db2.gz FUJJLXXMIIUHIO-AWEZNQCLSA-N 0 1 389.297 3.393 20 0 GGADMN CCCCn1nnnc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000026473537 564346748 /nfs/dbraw/zinc/34/67/48/564346748.db2.gz STWLCDYUOVCRJL-UHFFFAOYSA-N 0 1 394.302 3.313 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c1Cl ZINC000026542544 564347646 /nfs/dbraw/zinc/34/76/46/564347646.db2.gz GDENPRDPZHNLPH-UHFFFAOYSA-N 0 1 398.275 3.387 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000026542127 564348019 /nfs/dbraw/zinc/34/80/19/564348019.db2.gz LBZXRQCUQDJTOH-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CCCN(CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000026661327 564348880 /nfs/dbraw/zinc/34/88/80/564348880.db2.gz SCJHUZHJQWBTBY-LBPRGKRZSA-N 0 1 393.336 3.221 20 0 GGADMN C[C@H]1CN(CCCNc2ncnc3cc(F)c(Br)cc32)C[C@H](C)O1 ZINC000543398391 564349673 /nfs/dbraw/zinc/34/96/73/564349673.db2.gz PUTOHUXFQDZPTM-RYUDHWBXSA-N 0 1 397.292 3.443 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)c(Cl)c1 ZINC000026833087 564350038 /nfs/dbraw/zinc/35/00/38/564350038.db2.gz KFGAHXRZFATCNU-UHFFFAOYSA-N 0 1 378.925 3.375 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000026877786 564350641 /nfs/dbraw/zinc/35/06/41/564350641.db2.gz QAGKIFWIUCNCET-IUCAKERBSA-N 0 1 394.337 3.479 20 0 GGADMN CCCCN(CCc1cccc(OC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000121064014 564351238 /nfs/dbraw/zinc/35/12/38/564351238.db2.gz WPFAXRIMPIJDIO-HNNXBMFYSA-N 0 1 379.444 3.417 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2nnc(SCc3ccccc3)s2)CCN1C ZINC000543534042 564353278 /nfs/dbraw/zinc/35/32/78/564353278.db2.gz LNVCEBUTOAYEAT-CHWSQXEVSA-N 0 1 377.539 3.387 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(Br)c[nH]2)N2CCCC2)c1 ZINC000027341926 564353654 /nfs/dbraw/zinc/35/36/54/564353654.db2.gz CVXNKUHHRFEYHY-KRWDZBQOSA-N 0 1 392.297 3.353 20 0 GGADMN C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000121136209 564355367 /nfs/dbraw/zinc/35/53/67/564355367.db2.gz JJUADNZYDAVPMJ-CQSZACIVSA-N 0 1 378.929 3.186 20 0 GGADMN O=C(NCC(F)(F)F)C1CCN(Cc2ccccc2Br)CC1 ZINC000027779180 564356737 /nfs/dbraw/zinc/35/67/37/564356737.db2.gz FGWDAOCYYNLFGO-UHFFFAOYSA-N 0 1 379.220 3.340 20 0 GGADMN CCN(CC)C(=O)C1(NCC(=O)NCc2ccc(Cl)s2)CCCCC1 ZINC000121170850 564357359 /nfs/dbraw/zinc/35/73/59/564357359.db2.gz VRUYSHNDKKXEDE-UHFFFAOYSA-N 0 1 385.961 3.179 20 0 GGADMN Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(Br)n1 ZINC000121223141 564359922 /nfs/dbraw/zinc/35/99/22/564359922.db2.gz JFCFRNOEFUPRBV-OAHLLOKOSA-N 0 1 380.261 3.324 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000028198210 564360746 /nfs/dbraw/zinc/36/07/46/564360746.db2.gz FXEHHZZIHMVUGM-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1Cl ZINC000028259099 564361602 /nfs/dbraw/zinc/36/16/02/564361602.db2.gz HJJQECZGXZYHST-UHFFFAOYSA-N 0 1 394.758 3.138 20 0 GGADMN Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1-n1cnnn1 ZINC000028261184 564361874 /nfs/dbraw/zinc/36/18/74/564361874.db2.gz VCSBINAAEPINBG-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000028577593 564363758 /nfs/dbraw/zinc/36/37/58/564363758.db2.gz OSORGWQHMBDEOZ-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN O=C(CCN1CCN(Cc2cccs2)CC1)NCc1ccccc1Cl ZINC000028886661 564365064 /nfs/dbraw/zinc/36/50/64/564365064.db2.gz YRAXTEBTHQCIJE-UHFFFAOYSA-N 0 1 377.941 3.226 20 0 GGADMN CC(C)(C)c1n[nH]c(SCC(=O)N(Cc2ccco2)CC(F)(F)F)n1 ZINC000028855589 564365177 /nfs/dbraw/zinc/36/51/77/564365177.db2.gz SUTYTRPQUIJARF-UHFFFAOYSA-N 0 1 376.404 3.378 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cc(Cl)ccc2OC)c1 ZINC000028813692 564365187 /nfs/dbraw/zinc/36/51/87/564365187.db2.gz BCHJYGSECMVOKQ-UHFFFAOYSA-N 0 1 383.853 3.029 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc2c(c1)OCO2 ZINC000028899799 564366225 /nfs/dbraw/zinc/36/62/25/564366225.db2.gz KQEQLDMXULQSEY-UHFFFAOYSA-N 0 1 387.193 3.215 20 0 GGADMN Cc1ccn2cc(C(=O)Nc3nc(-c4ccccc4Br)n[nH]3)nc2c1 ZINC000028902740 564366276 /nfs/dbraw/zinc/36/62/76/564366276.db2.gz KBILAVBNGCLHOO-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)CCN1CCOC ZINC000121662346 564380388 /nfs/dbraw/zinc/38/03/88/564380388.db2.gz MDBLTQUEBYLPMR-CQSZACIVSA-N 0 1 388.339 3.365 20 0 GGADMN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)[C@H]1CCCO1 ZINC000030531793 564382658 /nfs/dbraw/zinc/38/26/58/564382658.db2.gz ABQPTXCNXDVENH-OAHLLOKOSA-N 0 1 380.853 3.258 20 0 GGADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000030628134 564383397 /nfs/dbraw/zinc/38/33/97/564383397.db2.gz LGZXMKZNKPWOKW-LLVKDONJSA-N 0 1 380.901 3.354 20 0 GGADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000030628134 564383404 /nfs/dbraw/zinc/38/34/04/564383404.db2.gz LGZXMKZNKPWOKW-LLVKDONJSA-N 0 1 380.901 3.354 20 0 GGADMN Brc1cc2c(cc1CN1CCCC[C@H]1c1nnc[nH]1)OCCO2 ZINC000121724611 564383492 /nfs/dbraw/zinc/38/34/92/564383492.db2.gz VRGXGKIQWNFQSU-ZDUSSCGKSA-N 0 1 379.258 3.066 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCCOc1ccccc1Br ZINC000121838986 564388668 /nfs/dbraw/zinc/38/86/68/564388668.db2.gz GJKKDFSNSXTASQ-UHFFFAOYSA-N 0 1 380.286 3.389 20 0 GGADMN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(F)c1 ZINC000031721799 564391506 /nfs/dbraw/zinc/39/15/06/564391506.db2.gz IGZANGMEVXAJSR-UHFFFAOYSA-N 0 1 383.466 3.343 20 0 GGADMN CCOc1c(Br)cc(C(=O)NCCCc2cn[nH]c2C)cc1OC ZINC000121881143 564391772 /nfs/dbraw/zinc/39/17/72/564391772.db2.gz XUDUJQFOBNPUCW-UHFFFAOYSA-N 0 1 396.285 3.251 20 0 GGADMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000121943662 564394553 /nfs/dbraw/zinc/39/45/53/564394553.db2.gz PNYSRYKZFFHNHJ-UHFFFAOYSA-N 0 1 381.567 3.193 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1F ZINC000032087170 564395416 /nfs/dbraw/zinc/39/54/16/564395416.db2.gz FAOJPWJMZLPTOR-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000032031318 564395911 /nfs/dbraw/zinc/39/59/11/564395911.db2.gz FDXAEUMKFNPJSM-UHFFFAOYSA-N 0 1 399.248 3.451 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)c(Br)c1 ZINC000032441128 564400604 /nfs/dbraw/zinc/40/06/04/564400604.db2.gz TUDTZPOSPTYOJI-KGLIPLIRSA-N 0 1 389.359 3.299 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CCCC[C@H]1C ZINC000032441152 564400823 /nfs/dbraw/zinc/40/08/23/564400823.db2.gz GAULXMMAHHOBJY-OLZOCXBDSA-N 0 1 380.432 3.126 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1C ZINC000032440960 564400910 /nfs/dbraw/zinc/40/09/10/564400910.db2.gz HGEZUCFQGHHJGW-OLZOCXBDSA-N 0 1 380.432 3.126 20 0 GGADMN CSc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(Cl)cc1Cl ZINC000122121931 564401583 /nfs/dbraw/zinc/40/15/83/564401583.db2.gz YHIDPNIZBQTNDD-LLVKDONJSA-N 0 1 376.353 3.081 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1F ZINC000032587729 564401990 /nfs/dbraw/zinc/40/19/90/564401990.db2.gz FXTNEKILEZOEGL-UHFFFAOYSA-N 0 1 375.805 3.306 20 0 GGADMN O=S(=O)(NCCNCc1ccccc1OC1CCCC1)c1cccs1 ZINC000122157104 564402355 /nfs/dbraw/zinc/40/23/55/564402355.db2.gz KNSHYCJSWOVYQJ-UHFFFAOYSA-N 0 1 380.535 3.138 20 0 GGADMN O=S(=O)(NCCNCc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000122232689 564405419 /nfs/dbraw/zinc/40/54/19/564405419.db2.gz 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CCSc1nnc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000515170032 564471245 /nfs/dbraw/zinc/47/12/45/564471245.db2.gz LPUNMMBYFZFCDP-AWEZNQCLSA-N 0 1 377.539 3.436 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000044857970 564474414 /nfs/dbraw/zinc/47/44/14/564474414.db2.gz VRYJGDCEROYONI-UHFFFAOYSA-N 0 1 395.326 3.069 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000044944660 564476174 /nfs/dbraw/zinc/47/61/74/564476174.db2.gz FONZTVKSATUMCY-CYBMUJFWSA-N 0 1 379.503 3.446 20 0 GGADMN COc1ccc([C@H](C)NC(=O)NCCCc2cn[nH]c2C)cc1Br ZINC000045182450 564479040 /nfs/dbraw/zinc/47/90/40/564479040.db2.gz NJCPOFYENKMYNO-NSHDSACASA-N 0 1 395.301 3.482 20 0 GGADMN CNC(=O)C1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000124394502 564480612 /nfs/dbraw/zinc/48/06/12/564480612.db2.gz ZYTKQEWLMFLJRU-NEPJUHHUSA-N 0 1 386.323 3.017 20 0 GGADMN CN(CCCn1ccnc1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000124418823 564481771 /nfs/dbraw/zinc/48/17/71/564481771.db2.gz 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CC(C)(C)c1nc(SC[C@@H](O)COc2cccc(Br)c2)n[nH]1 ZINC000054866420 564610970 /nfs/dbraw/zinc/61/09/70/564610970.db2.gz UMUYLNGRJHFYPS-NSHDSACASA-N 0 1 386.315 3.397 20 0 GGADMN CC(C)(C)c1n[nH]c(SC[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000054866414 564611194 /nfs/dbraw/zinc/61/11/94/564611194.db2.gz YDUHUKXAAFLRJG-NSHDSACASA-N 0 1 386.315 3.397 20 0 GGADMN CC(C)(C)c1nc(SC[C@@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000054866414 564611196 /nfs/dbraw/zinc/61/11/96/564611196.db2.gz YDUHUKXAAFLRJG-NSHDSACASA-N 0 1 386.315 3.397 20 0 GGADMN CC(C)CO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000055018309 564613205 /nfs/dbraw/zinc/61/32/05/564613205.db2.gz MXYZETGUKVDRGC-AWEZNQCLSA-N 0 1 398.345 3.201 20 0 GGADMN CN(C)c1nc(NCc2ccc(OC(F)(F)F)c(Br)c2)n[nH]1 ZINC000485396512 564613762 /nfs/dbraw/zinc/61/37/62/564613762.db2.gz WUTGEWSNLQXZSX-UHFFFAOYSA-N 0 1 380.168 3.144 20 0 GGADMN CCCCCS(=O)(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000128314957 564614301 /nfs/dbraw/zinc/61/43/01/564614301.db2.gz 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564621198 /nfs/dbraw/zinc/62/11/98/564621198.db2.gz XQNOVPKNIKHCPY-OAHLLOKOSA-N 0 1 375.460 3.284 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1Br ZINC000055597179 564626160 /nfs/dbraw/zinc/62/61/60/564626160.db2.gz JBZUOFTYHPNGLC-UHFFFAOYSA-N 0 1 397.294 3.260 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000055612866 564626386 /nfs/dbraw/zinc/62/63/86/564626386.db2.gz ISIWANVBXWXQKO-UHFFFAOYSA-N 0 1 382.844 3.481 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000055685635 564629439 /nfs/dbraw/zinc/62/94/39/564629439.db2.gz DOHKVOYYKDSUJW-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN Cc1cc(C(=O)N2CCN(CC3CC3)CC2)c2ccc(Br)cc2n1 ZINC000055674019 564629492 /nfs/dbraw/zinc/62/94/92/564629492.db2.gz PLAAQILUBRVVIF-UHFFFAOYSA-N 0 1 388.309 3.474 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)NC2(c3ccc(Br)cc3)CC2)C[N@H+]1C1CC1 ZINC000128917653 564633306 /nfs/dbraw/zinc/63/33/06/564633306.db2.gz UYLWRVAURPUXFC-SWLSCSKDSA-N 0 1 378.314 3.363 20 0 GGADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(Br)cc3C)cc12 ZINC000128935845 564634029 /nfs/dbraw/zinc/63/40/29/564634029.db2.gz QGIWBNQNJYYIOL-UHFFFAOYSA-N 0 1 381.255 3.138 20 0 GGADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc12 ZINC000128952558 564634103 /nfs/dbraw/zinc/63/41/03/564634103.db2.gz SVQNHJZHZDFVLF-UHFFFAOYSA-N 0 1 382.239 3.403 20 0 GGADMN CCOc1cc(-c2noc(Cc3cc(C)n[nH]3)n2)cc(Br)c1O ZINC000129003532 564636115 /nfs/dbraw/zinc/63/61/15/564636115.db2.gz AQCHLRUZZNNERA-UHFFFAOYSA-N 0 1 379.214 3.226 20 0 GGADMN Cc1ccc(Br)c(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000129342812 564646385 /nfs/dbraw/zinc/64/63/85/564646385.db2.gz ORNFAWUAHNHNER-OKILXGFUSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1ccc(Br)c(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000129447469 564649403 /nfs/dbraw/zinc/64/94/03/564649403.db2.gz GVCDCUOPROVNNP-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(Br)sc2C)c(O)c1 ZINC000129505044 564651723 /nfs/dbraw/zinc/65/17/23/564651723.db2.gz XOMQLTSPCQMRMF-UHFFFAOYSA-N 0 1 378.269 3.334 20 0 GGADMN CNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1Cl ZINC000056694507 564651729 /nfs/dbraw/zinc/65/17/29/564651729.db2.gz KKTUEPDDTOHQPO-HNNXBMFYSA-N 0 1 380.901 3.186 20 0 GGADMN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)N1CC[C@@H](N2CC=CC2)C1 ZINC000129654372 564655239 /nfs/dbraw/zinc/65/52/39/564655239.db2.gz PIXIUMPSMMAZRE-CQSZACIVSA-N 0 1 375.885 3.337 20 0 GGADMN CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(CC2CC2)CC1 ZINC000057047210 564659149 /nfs/dbraw/zinc/65/91/49/564659149.db2.gz DUTWKZORYSYFCZ-UHFFFAOYSA-N 0 1 381.314 3.404 20 0 GGADMN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC)cc1Cl ZINC000057121154 564660495 /nfs/dbraw/zinc/66/04/95/564660495.db2.gz DDACQGPKCMNOFG-UHFFFAOYSA-N 0 1 382.869 3.289 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1Br ZINC000057165631 564662525 /nfs/dbraw/zinc/66/25/25/564662525.db2.gz ICAZZAFYOZKJGF-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1csc(Br)c1 ZINC000057167400 564662753 /nfs/dbraw/zinc/66/27/53/564662753.db2.gz WOKWVWQHXSAWKP-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN CN1CCN(CCCSc2nnc(-c3ccc(Br)cc3)o2)CC1 ZINC000129847679 564663143 /nfs/dbraw/zinc/66/31/43/564663143.db2.gz FWUDGTGVNIHVAF-UHFFFAOYSA-N 0 1 397.342 3.229 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CCc2ccco2)CC1 ZINC000057468962 564668578 /nfs/dbraw/zinc/66/85/78/564668578.db2.gz WAVDVMLIJIRNCA-UHFFFAOYSA-N 0 1 392.297 3.365 20 0 GGADMN CC[C@@H](CNC(=O)c1ccncc1Br)N1CCc2ccccc2C1 ZINC000130054903 564668530 /nfs/dbraw/zinc/66/85/30/564668530.db2.gz ALVUSORDGYFZKH-INIZCTEOSA-N 0 1 388.309 3.411 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2cncc(Br)c2)cc1F ZINC000130167227 564671456 /nfs/dbraw/zinc/67/14/56/564671456.db2.gz CQGZIFHKCZMENA-UHFFFAOYSA-N 0 1 381.249 3.367 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CSCc2cccc(C)c2)c1 ZINC000057768550 564673736 /nfs/dbraw/zinc/67/37/36/564673736.db2.gz JEXAWUOEJSSVLJ-UHFFFAOYSA-N 0 1 379.503 3.366 20 0 GGADMN CC(C)[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N(C)C ZINC000057811125 564674294 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O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cccnc1 ZINC000058379453 564683305 /nfs/dbraw/zinc/68/33/05/564683305.db2.gz YNWYYRDPCJNLBP-UHFFFAOYSA-N 0 1 377.422 3.335 20 0 GGADMN CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000058496430 564683969 /nfs/dbraw/zinc/68/39/69/564683969.db2.gz DIIDQSAZBRBDGQ-UHFFFAOYSA-N 0 1 394.301 3.339 20 0 GGADMN CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000058496435 564684109 /nfs/dbraw/zinc/68/41/09/564684109.db2.gz FYTGMCRLSAGOCE-UHFFFAOYSA-N 0 1 393.408 3.051 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1OC ZINC000058495204 564684781 /nfs/dbraw/zinc/68/47/81/564684781.db2.gz QSJRXXNHGDTXMZ-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ncc(-c2ccccc2Br)o1 ZINC000130674971 564688670 /nfs/dbraw/zinc/68/86/70/564688670.db2.gz KWQJIRROYRZDNT-OCCSQVGLSA-N 0 1 378.270 3.238 20 0 GGADMN NC(=O)[C@H](NCCc1nc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000130692532 564689750 /nfs/dbraw/zinc/68/97/50/564689750.db2.gz AJOLFDBIAZZTPH-MRXNPFEDSA-N 0 1 394.338 3.143 20 0 GGADMN C[C@H]1CN(CCCNC(=O)CCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000058841103 564689985 /nfs/dbraw/zinc/68/99/85/564689985.db2.gz ABWFUOJVLCSBGX-KBPBESRZSA-N 0 1 389.323 3.378 20 0 GGADMN CN(CC(=O)NCC(C)(C)c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000130710023 564690169 /nfs/dbraw/zinc/69/01/69/564690169.db2.gz XDDHIUYNVCTBPR-OAHLLOKOSA-N 0 1 385.371 3.280 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ncc(-c2cccc(Br)c2)o1 ZINC000130793207 564692635 /nfs/dbraw/zinc/69/26/35/564692635.db2.gz IETCYNHECFWXFW-KGLIPLIRSA-N 0 1 378.270 3.238 20 0 GGADMN NC(=O)[C@H]1CCCC[C@H]1NCc1ncc(-c2cccc(Br)c2)o1 ZINC000130792531 564692869 /nfs/dbraw/zinc/69/28/69/564692869.db2.gz IETCYNHECFWXFW-UONOGXRCSA-N 0 1 378.270 3.238 20 0 GGADMN COc1ccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)cc1Cl ZINC000059885366 564693893 /nfs/dbraw/zinc/69/38/93/564693893.db2.gz KSXLQESYGIFYMB-UHFFFAOYSA-N 0 1 375.841 3.260 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)c3ccc(Br)cc3O)ccc21 ZINC000060168724 564695580 /nfs/dbraw/zinc/69/55/80/564695580.db2.gz ROIWGOHWFWDZCQ-UHFFFAOYSA-N 0 1 375.222 3.316 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC2CCSCC2)cc1 ZINC000060337800 564696419 /nfs/dbraw/zinc/69/64/19/564696419.db2.gz MOKNQSQORCQWRB-UHFFFAOYSA-N 0 1 396.559 3.483 20 0 GGADMN Nc1cc(N)nc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000060385386 564697154 /nfs/dbraw/zinc/69/71/54/564697154.db2.gz PCGREAKOADBBAJ-UHFFFAOYSA-N 0 1 378.672 3.332 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2Br)c1 ZINC000060525091 564700108 /nfs/dbraw/zinc/70/01/08/564700108.db2.gz FRNJAPVMFIBYNA-UHFFFAOYSA-N 0 1 384.251 3.201 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1F ZINC000131074761 564700267 /nfs/dbraw/zinc/70/02/67/564700267.db2.gz AELDYBUYAGPZSP-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2cccnc2)n[nH]1 ZINC000060531093 564700417 /nfs/dbraw/zinc/70/04/17/564700417.db2.gz JXBVHFCFBAWMJT-UHFFFAOYSA-N 0 1 379.898 3.332 20 0 GGADMN O=C(c1cc(Br)ccc1[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579347 564700996 /nfs/dbraw/zinc/70/09/96/564700996.db2.gz KDJXRZGCOFEMRV-UHFFFAOYSA-N 0 1 381.314 3.493 20 0 GGADMN C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCSCC1 ZINC000131115406 564701164 /nfs/dbraw/zinc/70/11/64/564701164.db2.gz SKPRZEMTQMVMDY-CRAIPNDOSA-N 0 1 381.973 3.030 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCn2ccnc2)CC1 ZINC000131116642 564701204 /nfs/dbraw/zinc/70/12/04/564701204.db2.gz ILLLQJGSXQHQAU-SFHVURJKSA-N 0 1 377.330 3.415 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCN(CCn2ccnc2)CC1 ZINC000131116839 564701616 /nfs/dbraw/zinc/70/16/16/564701616.db2.gz ILLLQJGSXQHQAU-GOSISDBHSA-N 0 1 377.330 3.415 20 0 GGADMN CCNC(=O)CNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000060833188 564702120 /nfs/dbraw/zinc/70/21/20/564702120.db2.gz VXTJHAFKEVAQNZ-UHFFFAOYSA-N 0 1 377.282 3.254 20 0 GGADMN CCOC(=O)CSc1nnc(NC(=O)c2cc(C(CC)CC)no2)s1 ZINC000525520245 564702356 /nfs/dbraw/zinc/70/23/56/564702356.db2.gz XNSNKEXUPAVWEB-UHFFFAOYSA-N 0 1 384.483 3.337 20 0 GGADMN O=C(CSc1ccccc1Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000061648773 564707847 /nfs/dbraw/zinc/70/78/47/564707847.db2.gz SILIISMSWPAKOW-UHFFFAOYSA-N 0 1 382.957 3.393 20 0 GGADMN CN(CCCNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000062640569 564712627 /nfs/dbraw/zinc/71/26/27/564712627.db2.gz WUBUURBKDWXIFW-UHFFFAOYSA-N 0 1 376.375 3.048 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000131537492 564714616 /nfs/dbraw/zinc/71/46/16/564714616.db2.gz XFZWSQAYCFLZMP-UHFFFAOYSA-N 0 1 378.759 3.259 20 0 GGADMN CN(CC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCSC1 ZINC000131561419 564715504 /nfs/dbraw/zinc/71/55/04/564715504.db2.gz JTVSPVYYTPENPP-CJNGLKHVSA-N 0 1 389.348 3.331 20 0 GGADMN COc1cc(CNCc2cc3c(c(Br)c2)OCO3)cc(OC)c1O ZINC000063578912 564718632 /nfs/dbraw/zinc/71/86/32/564718632.db2.gz JCIUCDHDKDJCBA-UHFFFAOYSA-N 0 1 396.237 3.190 20 0 GGADMN COc1cc(CNC[C@@H]2CCCS2(=O)=O)ccc1OCc1cccs1 ZINC000131731172 564722354 /nfs/dbraw/zinc/72/23/54/564722354.db2.gz BILOWTDJERWSRP-INIZCTEOSA-N 0 1 381.519 3.003 20 0 GGADMN O=S1(=O)CCC[C@H]1CNCc1ccc(-c2cccc(Br)c2)o1 ZINC000131720686 564722450 /nfs/dbraw/zinc/72/24/50/564722450.db2.gz IOYYJQPBJFXLRC-HNNXBMFYSA-N 0 1 384.295 3.376 20 0 GGADMN O=S1(=O)CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000131779295 564724358 /nfs/dbraw/zinc/72/43/58/564724358.db2.gz YGTZGKLTBCRYFB-OAHLLOKOSA-N 0 1 384.295 3.376 20 0 GGADMN O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[C@H](Oc2ccncc2)C1 ZINC000131830469 564725237 /nfs/dbraw/zinc/72/52/37/564725237.db2.gz BJIPCHHNZRGARW-HIFRSBDPSA-N 0 1 383.275 3.281 20 0 GGADMN O=C(NCCc1cscn1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000131892037 564726859 /nfs/dbraw/zinc/72/68/59/564726859.db2.gz OATSSCHMXMLXMY-UHFFFAOYSA-N 0 1 378.929 3.303 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1F ZINC000131902742 564728070 /nfs/dbraw/zinc/72/80/70/564728070.db2.gz UGERJUYKCXYLNI-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN O[C@H](CN1CCN(CCc2cccs2)CC1)c1cccc(Br)c1 ZINC000064351714 564728094 /nfs/dbraw/zinc/72/80/94/564728094.db2.gz YWYMVUOGUNJIGO-GOSISDBHSA-N 0 1 395.366 3.404 20 0 GGADMN CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000064374883 564728328 /nfs/dbraw/zinc/72/83/28/564728328.db2.gz CAKIOTVTDTYORG-UHFFFAOYSA-N 0 1 391.923 3.266 20 0 GGADMN Cc1nc2c(s1)[C@H](N(C)Cc1ccc(S(=O)(=O)N(C)C)cc1)CCC2 ZINC000131942102 564729321 /nfs/dbraw/zinc/72/93/21/564729321.db2.gz DZKCFCVHWONDHX-QGZVFWFLSA-N 0 1 379.551 3.211 20 0 GGADMN O=C(c1cccc(NS(=O)(=O)c2ccccc2Cl)c1)N1CCSCC1 ZINC000064478636 564730839 /nfs/dbraw/zinc/73/08/39/564730839.db2.gz ZGTDLBHVEYQFLJ-UHFFFAOYSA-N 0 1 396.921 3.330 20 0 GGADMN COc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1Br ZINC000132006040 564730790 /nfs/dbraw/zinc/73/07/90/564730790.db2.gz NMNDAJSILYRYCK-YOEHRIQHSA-N 0 1 394.313 3.137 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 ZINC000064475214 564730967 /nfs/dbraw/zinc/73/09/67/564730967.db2.gz PQXWOIDNIBHBBT-UHFFFAOYSA-N 0 1 392.531 3.489 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)s1 ZINC000064489933 564731148 /nfs/dbraw/zinc/73/11/48/564731148.db2.gz PPLXWOGUCSGNFD-UHFFFAOYSA-N 0 1 388.902 3.113 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000064511150 564732020 /nfs/dbraw/zinc/73/20/20/564732020.db2.gz URNDCSCSMPEQQF-UHFFFAOYSA-N 0 1 387.233 3.229 20 0 GGADMN O=S(=O)(CCc1ccccc1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000064599413 564732385 /nfs/dbraw/zinc/73/23/85/564732385.db2.gz BWKGESMRFBBEKZ-SFHVURJKSA-N 0 1 378.563 3.122 20 0 GGADMN Cc1ccc(CO)cc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000132232695 564737708 /nfs/dbraw/zinc/73/77/08/564737708.db2.gz OADYVRWBUDOKMT-UHFFFAOYSA-N 0 1 387.233 3.344 20 0 GGADMN C[N@H+](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCSC1 ZINC000132270505 564738860 /nfs/dbraw/zinc/73/88/60/564738860.db2.gz QGUSJFOEXOCNKL-SECBINFHSA-N 0 1 379.707 3.184 20 0 GGADMN C[N@@H+](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCSC1 ZINC000132270505 564738865 /nfs/dbraw/zinc/73/88/65/564738865.db2.gz QGUSJFOEXOCNKL-SECBINFHSA-N 0 1 379.707 3.184 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCN(C3CCCC3)CC2)c1 ZINC000132306102 564739781 /nfs/dbraw/zinc/73/97/81/564739781.db2.gz QTTQIMOJBYHMJI-UHFFFAOYSA-N 0 1 384.929 3.228 20 0 GGADMN CN(C[C@H](O)COCc1ccccc1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000132346770 564740723 /nfs/dbraw/zinc/74/07/23/564740723.db2.gz PCTHAZVSHITJTL-AWEZNQCLSA-N 0 1 384.259 3.349 20 0 GGADMN COc1ccc2c(c1)CN(C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000065162926 564740795 /nfs/dbraw/zinc/74/07/95/564740795.db2.gz GMLXEITXHQFWDC-KRWDZBQOSA-N 0 1 392.293 3.256 20 0 GGADMN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3O)cc21 ZINC000132431749 564744126 /nfs/dbraw/zinc/74/41/26/564744126.db2.gz OOVHEZRDUJGNET-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1Br ZINC000132501781 564744936 /nfs/dbraw/zinc/74/49/36/564744936.db2.gz XZJNCXMMTHKFFL-UHFFFAOYSA-N 0 1 398.213 3.439 20 0 GGADMN O=C(NCCc1cscn1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000132705771 564750625 /nfs/dbraw/zinc/75/06/25/564750625.db2.gz SFUHVCSQQNKBOG-KRWDZBQOSA-N 0 1 378.929 3.475 20 0 GGADMN O=C(NCCc1cscn1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000132705592 564750662 /nfs/dbraw/zinc/75/06/62/564750662.db2.gz SFUHVCSQQNKBOG-QGZVFWFLSA-N 0 1 378.929 3.475 20 0 GGADMN CN(Cc1coc(-c2ccc(I)cc2)n1)C[C@H]1CCOC1 ZINC000132761204 564751877 /nfs/dbraw/zinc/75/18/77/564751877.db2.gz ZZJPFGRQJUPRDK-GFCCVEGCSA-N 0 1 398.244 3.415 20 0 GGADMN CCN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000065908909 564751816 /nfs/dbraw/zinc/75/18/16/564751816.db2.gz MXEFGJRPKIHJPR-UHFFFAOYSA-N 0 1 388.269 3.235 20 0 GGADMN COc1ccccc1S(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000065972225 564752847 /nfs/dbraw/zinc/75/28/47/564752847.db2.gz VKZIVUDCOZXQPE-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN O=S(=O)(NCCNCc1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000065978267 564753905 /nfs/dbraw/zinc/75/39/05/564753905.db2.gz XUDQUYPIZHISQJ-UHFFFAOYSA-N 0 1 392.830 3.427 20 0 GGADMN O=S(=O)(NCCNCc1ccc(Cl)c(F)c1)c1cccc(Cl)c1 ZINC000065978202 564754056 /nfs/dbraw/zinc/75/40/56/564754056.db2.gz KONFQFJAEYINRC-UHFFFAOYSA-N 0 1 377.268 3.201 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(Br)c([O-])c2)[NH+](C)C)c1 ZINC000132840252 564754576 /nfs/dbraw/zinc/75/45/76/564754576.db2.gz PSNBVGYLGHTJEX-INIZCTEOSA-N 0 1 393.281 3.196 20 0 GGADMN O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(Br)cc1O ZINC000066086500 564755209 /nfs/dbraw/zinc/75/52/09/564755209.db2.gz UVXKBAWWUNLWAH-UHFFFAOYSA-N 0 1 387.237 3.241 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000066106129 564755999 /nfs/dbraw/zinc/75/59/99/564755999.db2.gz DRDATOQCCVOKDE-LBPRGKRZSA-N 0 1 382.835 3.218 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000066106125 564756053 /nfs/dbraw/zinc/75/60/53/564756053.db2.gz FKLCQJDYHOCTHL-NSHDSACASA-N 0 1 382.835 3.218 20 0 GGADMN CC(C)(NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1cccc(Cl)c1 ZINC000132916315 564757236 /nfs/dbraw/zinc/75/72/36/564757236.db2.gz LALDUQFQNVHOIX-SFHVURJKSA-N 0 1 381.929 3.095 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 ZINC000066241972 564758009 /nfs/dbraw/zinc/75/80/09/564758009.db2.gz VRXXFFXLBVSCAE-UHFFFAOYSA-N 0 1 377.853 3.394 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)c3ccc(Br)c(O)c3)ccc21 ZINC000132951361 564758076 /nfs/dbraw/zinc/75/80/76/564758076.db2.gz QAGARXXCTXNONK-UHFFFAOYSA-N 0 1 375.222 3.316 20 0 GGADMN COc1cc(NC(=O)c2ccc(Br)c(O)c2)ccc1NC(C)=O ZINC000133149744 564764453 /nfs/dbraw/zinc/76/44/53/564764453.db2.gz UUXSTVIIPHUHSX-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN CCOc1ccc2nc(SCc3csc(CS(C)(=O)=O)n3)[nH]c2c1 ZINC000133252721 564767556 /nfs/dbraw/zinc/76/75/56/564767556.db2.gz DRHKYHPXQJRFPY-UHFFFAOYSA-N 0 1 383.520 3.255 20 0 GGADMN O=c1nc(Cc2cccc(F)c2I)[nH]c2ccsc21 ZINC000133275718 564768596 /nfs/dbraw/zinc/76/85/96/564768596.db2.gz KRDKZWHCCJJPSM-UHFFFAOYSA-N 0 1 386.189 3.319 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000133304435 564769537 /nfs/dbraw/zinc/76/95/37/564769537.db2.gz FURZWHZIBHTQOR-ZDUSSCGKSA-N 0 1 389.293 3.331 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000133304435 564769540 /nfs/dbraw/zinc/76/95/40/564769540.db2.gz FURZWHZIBHTQOR-ZDUSSCGKSA-N 0 1 389.293 3.331 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(Br)c([O-])c2)[NH+](C)C)cc1 ZINC000133310671 564770521 /nfs/dbraw/zinc/77/05/21/564770521.db2.gz LIYHACAXDXPHKB-INIZCTEOSA-N 0 1 377.282 3.496 20 0 GGADMN Clc1ccc(OCc2nc(CNCCCN3CCOCC3)cs2)cc1 ZINC000066608836 564770882 /nfs/dbraw/zinc/77/08/82/564770882.db2.gz JLHYTJBMOBZGST-UHFFFAOYSA-N 0 1 381.929 3.187 20 0 GGADMN CCN(CCNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C(C)C ZINC000133359242 564771387 /nfs/dbraw/zinc/77/13/87/564771387.db2.gz FFLXQEQXGCQESI-UHFFFAOYSA-N 0 1 380.535 3.041 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066708540 564772924 /nfs/dbraw/zinc/77/29/24/564772924.db2.gz RPSBQCPTYYWSBH-MRXNPFEDSA-N 0 1 377.231 3.478 20 0 GGADMN CSC[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000066762393 564774705 /nfs/dbraw/zinc/77/47/05/564774705.db2.gz ODNMYJRUMARESK-GFCCVEGCSA-N 0 1 375.460 3.395 20 0 GGADMN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(Br)c(O)c1 ZINC000133474394 564775150 /nfs/dbraw/zinc/77/51/50/564775150.db2.gz XYUOYQGQQOUZPA-UHFFFAOYSA-N 0 1 398.278 3.260 20 0 GGADMN Cc1nc(-c2cccc(NS(=O)(=O)c3cc(Cl)cnc3N)c2)oc1C ZINC000133493576 564776166 /nfs/dbraw/zinc/77/61/66/564776166.db2.gz KEFDFJNSXOPNJH-UHFFFAOYSA-N 0 1 378.841 3.390 20 0 GGADMN C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000066901170 564777429 /nfs/dbraw/zinc/77/74/29/564777429.db2.gz NTBSAKHISMPSKZ-RDJZCZTQSA-N 0 1 385.599 3.086 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(Br)cc2)c1 ZINC000067010465 564781150 /nfs/dbraw/zinc/78/11/50/564781150.db2.gz LDQBOTRXFKVHMO-LBPRGKRZSA-N 0 1 383.311 3.208 20 0 GGADMN Cc1c(Br)cccc1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000133780052 564784627 /nfs/dbraw/zinc/78/46/27/564784627.db2.gz DQQOPCTXXVYXNM-QGZVFWFLSA-N 0 1 378.314 3.437 20 0 GGADMN Cc1c(Br)cccc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000133779836 564785172 /nfs/dbraw/zinc/78/51/72/564785172.db2.gz DQQOPCTXXVYXNM-KRWDZBQOSA-N 0 1 378.314 3.437 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1cc(Br)c[nH]c1=O)c1ccccc1 ZINC000067269879 564787763 /nfs/dbraw/zinc/78/77/63/564787763.db2.gz SMKPRNWEICRANQ-HNNXBMFYSA-N 0 1 378.270 3.159 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNc3ncc(Br)cn3)cc2)C[C@@H](C)O1 ZINC000067350184 564789374 /nfs/dbraw/zinc/78/93/74/564789374.db2.gz MUPCSOMDIGERPP-ZIAGYGMSSA-N 0 1 391.313 3.460 20 0 GGADMN CN(CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000067380144 564790848 /nfs/dbraw/zinc/79/08/48/564790848.db2.gz CJNQJDNTIJONQC-UHFFFAOYSA-N 0 1 380.275 3.180 20 0 GGADMN CCCCN(CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000067399957 564791644 /nfs/dbraw/zinc/79/16/44/564791644.db2.gz ZAGDTJQKOLIUHW-AWEZNQCLSA-N 0 1 390.908 3.097 20 0 GGADMN CC(=O)NC[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000067417388 564792396 /nfs/dbraw/zinc/79/23/96/564792396.db2.gz LGBSCDJLWNNBJJ-GXTWGEPZSA-N 0 1 386.323 3.019 20 0 GGADMN O=S1(=O)CC[C@H](CNCc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000067439533 564793624 /nfs/dbraw/zinc/79/36/24/564793624.db2.gz ARNWXGGFOBZXOJ-LLVKDONJSA-N 0 1 388.967 3.472 20 0 GGADMN CS(=O)(=O)Cc1nc(CSc2n[nH]c(CCC3CCCC3)n2)cs1 ZINC000134209213 564796433 /nfs/dbraw/zinc/79/64/33/564796433.db2.gz XCAXCRAWXRIADY-UHFFFAOYSA-N 0 1 386.568 3.221 20 0 GGADMN CS(=O)(=O)Cc1nc(CSc2nc(CCC3CCCC3)n[nH]2)cs1 ZINC000134209213 564796435 /nfs/dbraw/zinc/79/64/35/564796435.db2.gz XCAXCRAWXRIADY-UHFFFAOYSA-N 0 1 386.568 3.221 20 0 GGADMN CCO[C@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000067825336 564799506 /nfs/dbraw/zinc/79/95/06/564799506.db2.gz KXZICDASTHIGLL-AWEZNQCLSA-N 0 1 378.270 3.480 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000528685912 564800660 /nfs/dbraw/zinc/80/06/60/564800660.db2.gz FJKUPMHZIIFPHL-GFCCVEGCSA-N 0 1 383.880 3.459 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)[C@H](CO)C(C)(C)C ZINC000134402408 564802467 /nfs/dbraw/zinc/80/24/67/564802467.db2.gz UULMPASDQRUSAH-CYBMUJFWSA-N 0 1 391.295 3.057 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)[C@@H](CO)C(C)(C)C ZINC000134441362 564803325 /nfs/dbraw/zinc/80/33/25/564803325.db2.gz QJVMIRGEGNWMKR-ZDUSSCGKSA-N 0 1 377.710 3.380 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2[nH]c3ccccc3c2Br)C[C@H](C)O1 ZINC000068031402 564807031 /nfs/dbraw/zinc/80/70/31/564807031.db2.gz SJNBLTDTBOMBAF-BETUJISGSA-N 0 1 394.313 3.160 20 0 GGADMN O=S(=O)(Nc1cccc(Cl)c1-n1cccn1)c1ccc2c(c1)COC2 ZINC000068075952 564807437 /nfs/dbraw/zinc/80/74/37/564807437.db2.gz BVJLKIPJQWQODB-UHFFFAOYSA-N 0 1 375.837 3.357 20 0 GGADMN CSc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)COC3)OCCO2 ZINC000068076651 564807455 /nfs/dbraw/zinc/80/74/55/564807455.db2.gz KLYWNDPYHZFXMH-UHFFFAOYSA-N 0 1 379.459 3.011 20 0 GGADMN O[C@H](COCc1cccs1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000068046501 564807817 /nfs/dbraw/zinc/80/78/17/564807817.db2.gz LYSREFKVGGZWOP-SFHVURJKSA-N 0 1 380.941 3.097 20 0 GGADMN CCC1(CO)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000134703425 564812323 /nfs/dbraw/zinc/81/23/23/564812323.db2.gz ILQYZBQRFBGIBB-UHFFFAOYSA-N 0 1 392.297 3.464 20 0 GGADMN CC1CCN(CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000134708246 564812500 /nfs/dbraw/zinc/81/25/00/564812500.db2.gz SZBARPJAQKFFPK-INIZCTEOSA-N 0 1 394.357 3.124 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000068238502 564812907 /nfs/dbraw/zinc/81/29/07/564812907.db2.gz BDOJWQYRJKLOHS-UHFFFAOYSA-N 0 1 376.869 3.266 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000068243169 564813048 /nfs/dbraw/zinc/81/30/48/564813048.db2.gz NIXFHCGSLHNQJI-CYBMUJFWSA-N 0 1 378.270 3.480 20 0 GGADMN CCO[C@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000068437508 564818482 /nfs/dbraw/zinc/81/84/82/564818482.db2.gz KJMXKNMHRFRERA-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN CCN(C[C@H]1CCOC1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000068437539 564818923 /nfs/dbraw/zinc/81/89/23/564818923.db2.gz VMFXQXIUTOGJSB-GFCCVEGCSA-N 0 1 378.270 3.338 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1[nH]nc(C2CC2)c1Br ZINC000068436893 564819125 /nfs/dbraw/zinc/81/91/25/564819125.db2.gz JMOLDBMVYWZABF-AWEZNQCLSA-N 0 1 389.297 3.054 20 0 GGADMN CN(C)C1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000134970215 564820494 /nfs/dbraw/zinc/82/04/94/564820494.db2.gz LQCJFILWTAFVKK-UHFFFAOYSA-N 0 1 376.254 3.022 20 0 GGADMN Oc1ccc(N2CCN(CCOc3cccc(Br)c3)CC2)cc1 ZINC000068516906 564821013 /nfs/dbraw/zinc/82/10/13/564821013.db2.gz XCFGCJBSLRXPAF-UHFFFAOYSA-N 0 1 377.282 3.356 20 0 GGADMN OC1(CNCc2ncc(Br)cc2Br)CCCCC1 ZINC000135304407 564827943 /nfs/dbraw/zinc/82/79/43/564827943.db2.gz KDSQALNIAKEOQN-UHFFFAOYSA-N 0 1 378.108 3.391 20 0 GGADMN CSC[C@@H]1CCCN1CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000135433698 564831039 /nfs/dbraw/zinc/83/10/39/564831039.db2.gz DWRJJFHMNADPKP-AWEZNQCLSA-N 0 1 376.444 3.071 20 0 GGADMN CN(CC(F)(F)F)C(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000069010017 564831652 /nfs/dbraw/zinc/83/16/52/564831652.db2.gz IKIZPTUIPBARLF-UHFFFAOYSA-N 0 1 379.220 3.439 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000069010066 564831710 /nfs/dbraw/zinc/83/17/10/564831710.db2.gz VTRRHAQEYCVNAR-UHFFFAOYSA-N 0 1 382.302 3.042 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000069090043 564832563 /nfs/dbraw/zinc/83/25/63/564832563.db2.gz LGFMPIJOSVSZFP-AWEZNQCLSA-N 0 1 387.332 3.445 20 0 GGADMN O=S(=O)(c1ccccc1Br)N1CCC[C@@H]1CN1CCCCC1 ZINC000069124828 564833282 /nfs/dbraw/zinc/83/32/82/564833282.db2.gz GXXMGNJVVZABMG-CQSZACIVSA-N 0 1 387.343 3.088 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(C2CC2)no1 ZINC000069128324 564833500 /nfs/dbraw/zinc/83/35/00/564833500.db2.gz DITOKKSBADYZDE-NSHDSACASA-N 0 1 391.280 3.324 20 0 GGADMN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1CN1CCCCC1 ZINC000069125001 564833511 /nfs/dbraw/zinc/83/35/11/564833511.db2.gz OTIBDIADUGGKEH-AWEZNQCLSA-N 0 1 376.444 3.344 20 0 GGADMN O=S(=O)(c1sccc1Br)N1CCC[C@@H]1CN1CCCCC1 ZINC000069124340 564833564 /nfs/dbraw/zinc/83/35/64/564833564.db2.gz IRVHLXRXIDLXAL-GFCCVEGCSA-N 0 1 393.372 3.150 20 0 GGADMN CCCN1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000069178936 564834346 /nfs/dbraw/zinc/83/43/46/564834346.db2.gz HYELHZSPVDGVEA-UHFFFAOYSA-N 0 1 375.563 3.496 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000135528294 564834551 /nfs/dbraw/zinc/83/45/51/564834551.db2.gz VHDQTVJSTLIOHD-JKSUJKDBSA-N 0 1 389.348 3.158 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(Br)ccc2[O-])[NH+](C)C)c1 ZINC000069232908 564836059 /nfs/dbraw/zinc/83/60/59/564836059.db2.gz RBCMIGGTSHGVFW-MRXNPFEDSA-N 0 1 393.281 3.196 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Br)o1 ZINC000135633080 564837273 /nfs/dbraw/zinc/83/72/73/564837273.db2.gz ZNXRNKGTFFWCDT-UHFFFAOYSA-N 0 1 379.254 3.251 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc3ncccc32)c1 ZINC000135727297 564838887 /nfs/dbraw/zinc/83/88/87/564838887.db2.gz SHMJAMYKKOBGBY-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN Cc1[nH]ncc1CNC(=O)CCCCc1ccc(I)cc1 ZINC000069397202 564838964 /nfs/dbraw/zinc/83/89/64/564838964.db2.gz AECJCXYENBQWNP-UHFFFAOYSA-N 0 1 397.260 3.352 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cnc(C3CCCC3)s2)cc1 ZINC000135894674 564842334 /nfs/dbraw/zinc/84/23/34/564842334.db2.gz PRRNXBHLLLHHEV-UHFFFAOYSA-N 0 1 379.551 3.341 20 0 GGADMN CN(Cc1c(-c2ccc(Cl)cc2)nc2sccn12)CC(C)(CO)CO ZINC000135932507 564842676 /nfs/dbraw/zinc/84/26/76/564842676.db2.gz TZLWPFGHQQJOJP-UHFFFAOYSA-N 0 1 379.913 3.139 20 0 GGADMN CSc1nnc(CCCNC(=O)c2ccc(O)c(Cl)c2)n1CC(C)C ZINC000069642232 564842948 /nfs/dbraw/zinc/84/29/48/564842948.db2.gz JUDGAUHLYGWGDP-UHFFFAOYSA-N 0 1 382.917 3.378 20 0 GGADMN O=C(CCSc1ccccc1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069710085 564843741 /nfs/dbraw/zinc/84/37/41/564843741.db2.gz NNIKAQQBLSHNEB-MRXNPFEDSA-N 0 1 382.957 3.393 20 0 GGADMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069711540 564843973 /nfs/dbraw/zinc/84/39/73/564843973.db2.gz GCKPRCIACXIQPJ-CVEARBPZSA-N 0 1 382.957 3.391 20 0 GGADMN COc1ccc(Br)cc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000069857686 564846669 /nfs/dbraw/zinc/84/66/69/564846669.db2.gz WOZYLZWFYCCMAH-OAHLLOKOSA-N 0 1 383.330 3.002 20 0 GGADMN C[C@@H](O)C1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000136316774 564848384 /nfs/dbraw/zinc/84/83/84/564848384.db2.gz GMMBAAYKRAUNFE-LLVKDONJSA-N 0 1 378.270 3.072 20 0 GGADMN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000070447760 564849537 /nfs/dbraw/zinc/84/95/37/564849537.db2.gz RTLHADHPJZWGPQ-SNVBAGLBSA-N 0 1 390.130 3.018 20 0 GGADMN Cc1oncc1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000136495203 564851779 /nfs/dbraw/zinc/85/17/79/564851779.db2.gz YXXVXYIHQNHADI-UHFFFAOYSA-N 0 1 396.060 3.309 20 0 GGADMN Nc1c(Cl)cc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000136511963 564851827 /nfs/dbraw/zinc/85/18/27/564851827.db2.gz LFRIZEPWHWFYNJ-UHFFFAOYSA-N 0 1 379.291 3.365 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000070869477 564852381 /nfs/dbraw/zinc/85/23/81/564852381.db2.gz QSJKIHXHTATWRE-DGCLKSJQSA-N 0 1 381.263 3.127 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(I)cc1 ZINC000071038432 564855102 /nfs/dbraw/zinc/85/51/02/564855102.db2.gz ANDQASATLJNMRB-UHFFFAOYSA-N 0 1 390.184 3.124 20 0 GGADMN O=C(Cc1ccc(F)c(Br)c1)Nc1ccn(-c2ccncc2)n1 ZINC000071028350 564855119 /nfs/dbraw/zinc/85/51/19/564855119.db2.gz QRDRGKRDIOJSJM-UHFFFAOYSA-N 0 1 375.201 3.350 20 0 GGADMN O=C(COc1ccc(F)cc1Br)Nc1ccn(-c2ccncc2)n1 ZINC000071027874 564855303 /nfs/dbraw/zinc/85/53/03/564855303.db2.gz VGKYSXWTXUNZPX-UHFFFAOYSA-N 0 1 391.200 3.186 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000137103534 564858284 /nfs/dbraw/zinc/85/82/84/564858284.db2.gz OXPZSWWUHCZDTR-UHFFFAOYSA-N 0 1 378.759 3.259 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(Cl)c1F ZINC000071972637 564859393 /nfs/dbraw/zinc/85/93/93/564859393.db2.gz DHKZVHKEOQGCQT-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000072021177 564860319 /nfs/dbraw/zinc/86/03/19/564860319.db2.gz MEQVSWWYSXVDGX-UHFFFAOYSA-N 0 1 379.507 3.426 20 0 GGADMN COc1cc(F)c(NS(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000078613037 564864211 /nfs/dbraw/zinc/86/42/11/564864211.db2.gz GMISWGZCJAVWLP-UHFFFAOYSA-N 0 1 396.259 3.468 20 0 GGADMN CN1CCN(c2ccc(NCc3cc(Br)ccc3F)cn2)CC1 ZINC000083881699 564867599 /nfs/dbraw/zinc/86/75/99/564867599.db2.gz FYHWXBUBNIZQQL-UHFFFAOYSA-N 0 1 379.277 3.347 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000139186163 564868274 /nfs/dbraw/zinc/86/82/74/564868274.db2.gz GUHXJYKLULJHAE-LBPRGKRZSA-N 0 1 379.302 3.344 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000139566601 564868636 /nfs/dbraw/zinc/86/86/36/564868636.db2.gz JSVCSOCZYKYDSZ-UHFFFAOYSA-N 0 1 380.239 3.044 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CCCCc1cn[nH]n1 ZINC000139551637 564869273 /nfs/dbraw/zinc/86/92/73/564869273.db2.gz NURKYPRBAFRORX-NSHDSACASA-N 0 1 383.265 3.167 20 0 GGADMN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)c1ccnc(C2CC2)n1 ZINC000092105629 564874750 /nfs/dbraw/zinc/87/47/50/564874750.db2.gz BSNILIYKZCHVNO-UHFFFAOYSA-N 0 1 386.253 3.160 20 0 GGADMN O=C1NCCN1[C@@H]1CCCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000092188449 564875144 /nfs/dbraw/zinc/87/51/44/564875144.db2.gz QOEIVASIGKHOSM-OAHLLOKOSA-N 0 1 382.291 3.259 20 0 GGADMN COc1ccc(Br)cc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000143162680 564876234 /nfs/dbraw/zinc/87/62/34/564876234.db2.gz QRILCSKQLJILCX-UONOGXRCSA-N 0 1 389.293 3.239 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000146256914 564880449 /nfs/dbraw/zinc/88/04/49/564880449.db2.gz FYPAQOJTQAEHAM-UHFFFAOYSA-N 0 1 381.929 3.087 20 0 GGADMN NC(=O)N1CCCN(Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000092753948 564881518 /nfs/dbraw/zinc/88/15/18/564881518.db2.gz ZUZVFJQPKMGYIQ-UHFFFAOYSA-N 0 1 378.270 3.296 20 0 GGADMN OCCCN(CCO)Cc1cc(Br)ccc1OCc1ccccc1 ZINC000093324111 564885352 /nfs/dbraw/zinc/88/53/52/564885352.db2.gz PKLCUEXTJCCWIE-UHFFFAOYSA-N 0 1 394.309 3.205 20 0 GGADMN Cc1cc(Br)ccc1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000093455050 564886122 /nfs/dbraw/zinc/88/61/22/564886122.db2.gz DNPRVVOAEVBTIH-QGZVFWFLSA-N 0 1 378.314 3.437 20 0 GGADMN Brc1ccc(Cc2noc([C@H]3CCCN3Cc3cnc[nH]3)n2)cc1 ZINC000093363853 564886327 /nfs/dbraw/zinc/88/63/27/564886327.db2.gz HRSJAIVVKJTFDI-OAHLLOKOSA-N 0 1 388.269 3.483 20 0 GGADMN COc1ccc(-c2csc(NC(=O)CNC[C@H]3CCCO3)n2)cc1Cl ZINC000150751545 564889274 /nfs/dbraw/zinc/88/92/74/564889274.db2.gz YPVVYJUTRQFZBQ-GFCCVEGCSA-N 0 1 381.885 3.179 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)Cc1cnc2cnccn12 ZINC000093667606 564889474 /nfs/dbraw/zinc/88/94/74/564889474.db2.gz QZGATZIKORVFDG-UHFFFAOYSA-N 0 1 375.270 3.393 20 0 GGADMN COCCOC[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000093754164 564889507 /nfs/dbraw/zinc/88/95/07/564889507.db2.gz BRXMAINYJKXRRT-AWEZNQCLSA-N 0 1 394.313 3.324 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(CCOc1ccccc1Br)CC2 ZINC000093791932 564890277 /nfs/dbraw/zinc/89/02/77/564890277.db2.gz UHKFNGVUEKVPBW-IRXDYDNUSA-N 0 1 384.314 3.080 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(CCOc1ccccc1Br)CC2 ZINC000093791931 564890639 /nfs/dbraw/zinc/89/06/39/564890639.db2.gz UHKFNGVUEKVPBW-DLBZAZTESA-N 0 1 384.314 3.080 20 0 GGADMN C[C@@H](C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1cccc(Br)c1 ZINC000093814428 564890781 /nfs/dbraw/zinc/89/07/81/564890781.db2.gz GTSVDMPFOVEVLL-FZMZJTMJSA-N 0 1 384.236 3.160 20 0 GGADMN Brc1ccccc1OCCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093790946 564890797 /nfs/dbraw/zinc/89/07/97/564890797.db2.gz ABVMCFLIDQQQJO-AWEZNQCLSA-N 0 1 391.313 3.245 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000093808499 564890930 /nfs/dbraw/zinc/89/09/30/564890930.db2.gz VZFRYOXXDAWVLQ-CQSZACIVSA-N 0 1 391.313 3.031 20 0 GGADMN O=C(CCc1nc[nH]n1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000150790772 564891323 /nfs/dbraw/zinc/89/13/23/564891323.db2.gz WXSQGYCXIUZBEX-UHFFFAOYSA-N 0 1 395.648 3.182 20 0 GGADMN Ic1ccccc1OC1CCN(Cc2cnc[nH]2)CC1 ZINC000093840475 564891505 /nfs/dbraw/zinc/89/15/05/564891505.db2.gz XYGBBVCXAKUAED-UHFFFAOYSA-N 0 1 383.233 3.058 20 0 GGADMN Cc1n[nH]cc1CN1CCC(Oc2ccccc2I)CC1 ZINC000093840479 564892172 /nfs/dbraw/zinc/89/21/72/564892172.db2.gz MKGTYQRYLJDZEJ-UHFFFAOYSA-N 0 1 397.260 3.366 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CSc1ccccc1Cl ZINC000150845134 564893330 /nfs/dbraw/zinc/89/33/30/564893330.db2.gz BCALADOBEQJKFK-UHFFFAOYSA-N 0 1 377.897 3.231 20 0 GGADMN COc1ccc(NC(C)=O)c(NC(=O)c2ccc(Br)cc2O)c1 ZINC000094038340 564895534 /nfs/dbraw/zinc/89/55/34/564895534.db2.gz MUNYGAFHDVXTFZ-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN CCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@H](C)CS(=O)(=O)CC ZINC000094137103 564897249 /nfs/dbraw/zinc/89/72/49/564897249.db2.gz YJDKMHFCIMTXHA-GFCCVEGCSA-N 0 1 383.897 3.484 20 0 GGADMN C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000094134163 564897425 /nfs/dbraw/zinc/89/74/25/564897425.db2.gz OOBXKZPKJCLCHM-UHFFFAOYSA-N 0 1 393.281 3.484 20 0 GGADMN CSc1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)ccn1 ZINC000097026067 564904133 /nfs/dbraw/zinc/90/41/33/564904133.db2.gz OWPPCLJWZJOLBJ-UHFFFAOYSA-N 0 1 376.913 3.461 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000096996968 564904427 /nfs/dbraw/zinc/90/44/27/564904427.db2.gz QUQUTKQZRJKAHN-VIFPVBQESA-N 0 1 383.728 3.409 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CC[N@H+](C2CC2)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000096996968 564904431 /nfs/dbraw/zinc/90/44/31/564904431.db2.gz QUQUTKQZRJKAHN-VIFPVBQESA-N 0 1 383.728 3.409 20 0 GGADMN CN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@@H]1CCCN(C)C1 ZINC000151099764 564905680 /nfs/dbraw/zinc/90/56/80/564905680.db2.gz GIMJPDVNBUOSGR-CYBMUJFWSA-N 0 1 377.286 3.005 20 0 GGADMN COc1ccc(-c2cc3[n-]c(C[N@@H+](C)CCSC)nc(=O)c3s2)cc1 ZINC000151129220 564906622 /nfs/dbraw/zinc/90/66/22/564906622.db2.gz QBRTYXBIQPDKIM-UHFFFAOYSA-N 0 1 375.519 3.455 20 0 GGADMN Cn1cc(Br)cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000097288355 564907641 /nfs/dbraw/zinc/90/76/41/564907641.db2.gz HGEAAURUDJLZHQ-MRXNPFEDSA-N 0 1 376.298 3.182 20 0 GGADMN C[C@@H](CO[C@@H]1CCOC1)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000151216716 564910853 /nfs/dbraw/zinc/91/08/53/564910853.db2.gz CKCSQGAGOIVFLR-SWLSCSKDSA-N 0 1 380.286 3.123 20 0 GGADMN CC(=O)c1c[nH]c(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c1 ZINC000098022670 564911631 /nfs/dbraw/zinc/91/16/31/564911631.db2.gz IQFXFQNUQJDDKK-UHFFFAOYSA-N 0 1 392.297 3.184 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498897051 564912235 /nfs/dbraw/zinc/91/22/35/564912235.db2.gz KMFNWIRDNCNAHO-BETUJISGSA-N 0 1 377.286 3.446 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498897052 564912694 /nfs/dbraw/zinc/91/26/94/564912694.db2.gz KMFNWIRDNCNAHO-CHWSQXEVSA-N 0 1 377.286 3.446 20 0 GGADMN Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000098133324 564913617 /nfs/dbraw/zinc/91/36/17/564913617.db2.gz MNISUSLGPGOHTB-GFCCVEGCSA-N 0 1 395.326 3.460 20 0 GGADMN Cc1nc(CCNC(=O)c2ccc(CN3CCSCC3)cc2)sc1C ZINC000151311581 564913993 /nfs/dbraw/zinc/91/39/93/564913993.db2.gz JKYJTBVGKDPLBC-UHFFFAOYSA-N 0 1 375.563 3.281 20 0 GGADMN CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000101528719 564916461 /nfs/dbraw/zinc/91/64/61/564916461.db2.gz FQHWKRYMVZICNA-UHFFFAOYSA-N 0 1 387.237 3.465 20 0 GGADMN Cc1c(Br)cccc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000151380519 564916636 /nfs/dbraw/zinc/91/66/36/564916636.db2.gz HVENVFQONRBKOX-HNNXBMFYSA-N 0 1 396.329 3.334 20 0 GGADMN Cc1c(Br)cccc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000151380461 564916766 /nfs/dbraw/zinc/91/67/66/564916766.db2.gz HVENVFQONRBKOX-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(F)c1F ZINC000101575792 564918789 /nfs/dbraw/zinc/91/87/89/564918789.db2.gz UNGBYAFSNRNZHP-ZDUSSCGKSA-N 0 1 386.489 3.217 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cc(Br)cn2C)N2CCCC2)o1 ZINC000101696006 564920797 /nfs/dbraw/zinc/92/07/97/564920797.db2.gz XBCAZUZNOIWSHG-HNNXBMFYSA-N 0 1 380.286 3.256 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000151569259 564927543 /nfs/dbraw/zinc/92/75/43/564927543.db2.gz ZGYGDHSVIDVKMG-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN COc1ccc([C@@H](N[C@H]2CCSC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000151637240 564931049 /nfs/dbraw/zinc/93/10/49/564931049.db2.gz ZBKYMGDTPBEEQW-QFBILLFUSA-N 0 1 377.531 3.283 20 0 GGADMN CC(=O)NCc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)sc2C)s1 ZINC000102662544 564931978 /nfs/dbraw/zinc/93/19/78/564931978.db2.gz QOCMEIGQKCECNX-UKRRQHHQSA-N 0 1 377.535 3.352 20 0 GGADMN CC(=O)NCc1ccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)sc2C)s1 ZINC000102662544 564931979 /nfs/dbraw/zinc/93/19/79/564931979.db2.gz QOCMEIGQKCECNX-UKRRQHHQSA-N 0 1 377.535 3.352 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)NCc2cccs2)cc1Br ZINC000102697627 564932426 /nfs/dbraw/zinc/93/24/26/564932426.db2.gz YLJWXPTXBNJQSG-NSHDSACASA-N 0 1 383.311 3.486 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2[nH]c1=S ZINC000102751576 564933933 /nfs/dbraw/zinc/93/39/33/564933933.db2.gz BTVXJGRFSMCVPE-UHFFFAOYSA-N 0 1 390.262 3.237 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)nc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000102775705 564935070 /nfs/dbraw/zinc/93/50/70/564935070.db2.gz SZGGPMICYXHKLZ-AWEZNQCLSA-N 0 1 385.942 3.053 20 0 GGADMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1ccc(Cl)cc1 ZINC000102796631 564935891 /nfs/dbraw/zinc/93/58/91/564935891.db2.gz LNAVOPVVGJCOLX-UHFFFAOYSA-N 0 1 379.869 3.448 20 0 GGADMN O=C(NCCNCc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1 ZINC000102780762 564936191 /nfs/dbraw/zinc/93/61/91/564936191.db2.gz QQXXAHYQVVWTIU-UHFFFAOYSA-N 0 1 387.199 3.386 20 0 GGADMN CCS(=O)(=O)NCCCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000151838151 564938332 /nfs/dbraw/zinc/93/83/32/564938332.db2.gz GEHIUDSIBOMURS-UHFFFAOYSA-N 0 1 376.444 3.124 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@@H]1C=CCCC1 ZINC000151928378 564940690 /nfs/dbraw/zinc/94/06/90/564940690.db2.gz DBOBBWOPFSLGIU-CYBMUJFWSA-N 0 1 376.258 3.142 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@@H]1C=CCCC1 ZINC000151928378 564940693 /nfs/dbraw/zinc/94/06/93/564940693.db2.gz DBOBBWOPFSLGIU-CYBMUJFWSA-N 0 1 376.258 3.142 20 0 GGADMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000103057931 564942110 /nfs/dbraw/zinc/94/21/10/564942110.db2.gz VJTLLHUNFRDVCR-UHFFFAOYSA-N 0 1 397.371 3.049 20 0 GGADMN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103059215 564942172 /nfs/dbraw/zinc/94/21/72/564942172.db2.gz VFJDRAAVRAMFMS-UHFFFAOYSA-N 0 1 376.331 3.053 20 0 GGADMN C[C@@H](C(=O)NC1CC1)N1CCN(CCCSc2ccccc2Cl)CC1 ZINC000103139463 564942787 /nfs/dbraw/zinc/94/27/87/564942787.db2.gz CZBWXILHRYSRDW-HNNXBMFYSA-N 0 1 381.973 3.107 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(F)c(I)c1 ZINC000152085074 564946971 /nfs/dbraw/zinc/94/69/71/564946971.db2.gz CKKMEPJDDOMPDO-UHFFFAOYSA-N 0 1 398.135 3.061 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)c(F)c1 ZINC000103943473 564951846 /nfs/dbraw/zinc/95/18/46/564951846.db2.gz WBISHIVDBHEUKM-UHFFFAOYSA-N 0 1 394.243 3.237 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1Br ZINC000152269470 564952912 /nfs/dbraw/zinc/95/29/12/564952912.db2.gz NFIBJIFQKHQPKE-UHFFFAOYSA-N 0 1 384.255 3.049 20 0 GGADMN COC(=O)Cc1csc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)n1 ZINC000104313572 564953678 /nfs/dbraw/zinc/95/36/78/564953678.db2.gz MLIOMHKRRBWHPC-UHFFFAOYSA-N 0 1 376.825 3.154 20 0 GGADMN CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000104322659 564953976 /nfs/dbraw/zinc/95/39/76/564953976.db2.gz FSEKCLGZSSWBFN-YJBOKZPZSA-N 0 1 394.357 3.266 20 0 GGADMN CCSc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000104482505 564955734 /nfs/dbraw/zinc/95/57/34/564955734.db2.gz CUJHWRKVLOMKST-UHFFFAOYSA-N 0 1 376.873 3.193 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCOCC12CCC2 ZINC000152351175 564955771 /nfs/dbraw/zinc/95/57/71/564955771.db2.gz TVSWACKJMJPNNN-UHFFFAOYSA-N 0 1 376.254 3.234 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)c1Br ZINC000152462518 564959853 /nfs/dbraw/zinc/95/98/53/564959853.db2.gz PTDYQWADUFQQJN-HXUWFJFHSA-N 0 1 388.308 3.296 20 0 GGADMN C[S@@](=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000152466560 564960861 /nfs/dbraw/zinc/96/08/61/564960861.db2.gz GGUZWURNYLRMIN-FQEVSTJZSA-N 0 1 392.271 3.126 20 0 GGADMN CN(Cc1cc(Br)cn1C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000152498513 564961435 /nfs/dbraw/zinc/96/14/35/564961435.db2.gz YVILBWSTXQMVPP-HNNXBMFYSA-N 0 1 392.297 3.141 20 0 GGADMN CN(Cc1cc(Br)cn1C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000152498619 564961856 /nfs/dbraw/zinc/96/18/56/564961856.db2.gz YVILBWSTXQMVPP-OAHLLOKOSA-N 0 1 392.297 3.141 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000105066199 564962909 /nfs/dbraw/zinc/96/29/09/564962909.db2.gz LRCNXKIFEHTSRH-GOEBONIOSA-N 0 1 377.286 3.269 20 0 GGADMN CN1C(=O)CCc2cc(NC(=O)c3ccc(Br)c(O)c3)ccc21 ZINC000152619013 564966157 /nfs/dbraw/zinc/96/61/57/564966157.db2.gz DUWLGNFEUGFBFX-UHFFFAOYSA-N 0 1 375.222 3.316 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c(F)c1 ZINC000105387953 564966249 /nfs/dbraw/zinc/96/62/49/564966249.db2.gz GJQMXZJZPFDTNR-UHFFFAOYSA-N 0 1 385.482 3.258 20 0 GGADMN O=S(=O)(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(F)c1 ZINC000105388902 564966262 /nfs/dbraw/zinc/96/62/62/564966262.db2.gz VTEHWFOKHJUALP-UHFFFAOYSA-N 0 1 382.310 3.301 20 0 GGADMN Cc1cc(C)cc(OCCN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000105401723 564967106 /nfs/dbraw/zinc/96/71/06/564967106.db2.gz VUXSHTBFHOWSNS-QGZVFWFLSA-N 0 1 377.282 3.261 20 0 GGADMN O=S1(=O)CCCN1CCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000105473741 564967191 /nfs/dbraw/zinc/96/71/91/564967191.db2.gz HCOXUOQLUFUJTD-UHFFFAOYSA-N 0 1 389.304 3.379 20 0 GGADMN Cc1cc(C)cc(OCCN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000105401719 564967314 /nfs/dbraw/zinc/96/73/14/564967314.db2.gz VUXSHTBFHOWSNS-KRWDZBQOSA-N 0 1 377.282 3.261 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)cc1Cl ZINC000105590405 564968913 /nfs/dbraw/zinc/96/89/13/564968913.db2.gz YPNDWOZSZXDAOO-UHFFFAOYSA-N 0 1 393.223 3.041 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1Cl ZINC000105590910 564969679 /nfs/dbraw/zinc/96/96/79/564969679.db2.gz JENGODGHODSGPK-UHFFFAOYSA-N 0 1 399.259 3.384 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C2CCCC2)CC1 ZINC000105876842 564974984 /nfs/dbraw/zinc/97/49/84/564974984.db2.gz ZZYFKBNQRNVOFV-AWEZNQCLSA-N 0 1 381.314 3.303 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000152858875 564974983 /nfs/dbraw/zinc/97/49/83/564974983.db2.gz TYXUWOFLEIPFAE-CQSZACIVSA-N 0 1 397.361 3.330 20 0 GGADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CCN1C[C@@H](C)O ZINC000106103079 564977855 /nfs/dbraw/zinc/97/78/55/564977855.db2.gz AQADWIUBAOGAAZ-HZSPNIEDSA-N 0 1 388.339 3.097 20 0 GGADMN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000152977447 564980088 /nfs/dbraw/zinc/98/00/88/564980088.db2.gz KXUBXEXRLYSILS-UHFFFAOYSA-N 0 1 397.371 3.049 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnc(Cl)cc3C)cc2C[C@H]1C ZINC000153028175 564982021 /nfs/dbraw/zinc/98/20/21/564982021.db2.gz CSJIFIHDDWDRFS-LLVKDONJSA-N 0 1 379.869 3.142 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN(Cc2cccs2)Cc2cccs2)C[C@H](C)O1 ZINC000106381022 564982851 /nfs/dbraw/zinc/98/28/51/564982851.db2.gz YVRSUUUKBJEHAH-BBWFWOEESA-N 0 1 380.579 3.282 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000153076447 564983873 /nfs/dbraw/zinc/98/38/73/564983873.db2.gz KERMBKNNUWXXSM-LBPRGKRZSA-N 0 1 382.835 3.218 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccs2)N(C)C)c1Br ZINC000106454167 564983919 /nfs/dbraw/zinc/98/39/19/564983919.db2.gz DUKAFLONXAXDHO-SNVBAGLBSA-N 0 1 385.331 3.390 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000106554346 564984743 /nfs/dbraw/zinc/98/47/43/564984743.db2.gz SMGGCPVURMAFDV-ZDUSSCGKSA-N 0 1 387.355 3.164 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccccc1SC(F)(F)F ZINC000106584168 564985216 /nfs/dbraw/zinc/98/52/16/564985216.db2.gz DZKNYEBXTYELCJ-GFCCVEGCSA-N 0 1 376.448 3.056 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000153143137 564986127 /nfs/dbraw/zinc/98/61/27/564986127.db2.gz FBKIIYSLQMBWML-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@H](C)N1 ZINC000153193966 564987679 /nfs/dbraw/zinc/98/76/79/564987679.db2.gz MHKUTWLEUCEZTN-BETUJISGSA-N 0 1 390.281 3.459 20 0 GGADMN Cc1nnc(NC(=O)CCc2nc(C)c(-c3ccc(Br)cc3)o2)[nH]1 ZINC000106771599 564988259 /nfs/dbraw/zinc/98/82/59/564988259.db2.gz MYCJNUMUBSCBFR-UHFFFAOYSA-N 0 1 390.241 3.410 20 0 GGADMN CCc1nnsc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000106829431 564989224 /nfs/dbraw/zinc/98/92/24/564989224.db2.gz RSCGTTIRBCKZCY-UHFFFAOYSA-N 0 1 378.929 3.396 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)/C=C/c3cc(Cl)ccc3Cl)C2)CC1 ZINC000106801599 564989395 /nfs/dbraw/zinc/98/93/95/564989395.db2.gz OXXGSOVNIYEXIU-ZVVFDCPKSA-N 0 1 382.335 3.245 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)C2)CC1 ZINC000106799312 564989420 /nfs/dbraw/zinc/98/94/20/564989420.db2.gz JLKXQBNWWVFEEO-WBVHZDCISA-N 0 1 381.973 3.059 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccn(-c2cccc(Br)c2)n1 ZINC000106904200 564991509 /nfs/dbraw/zinc/99/15/09/564991509.db2.gz NNLMSXKKLWKBKP-UHFFFAOYSA-N 0 1 399.208 3.265 20 0 GGADMN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000106898415 564991656 /nfs/dbraw/zinc/99/16/56/564991656.db2.gz LNEFIQBUURFLFV-KOLCDFICSA-N 0 1 380.901 3.267 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(I)ccc1Cl ZINC000153386880 564992512 /nfs/dbraw/zinc/99/25/12/564992512.db2.gz WFIFSHSHSQOFRJ-UHFFFAOYSA-N 0 1 398.591 3.468 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)c(C)c3)C2)CC1 ZINC000106938035 564992814 /nfs/dbraw/zinc/99/28/14/564992814.db2.gz OYYZAFRPMJLRFC-INIZCTEOSA-N 0 1 395.345 3.001 20 0 GGADMN O=C(CCc1cc(Br)cs1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000107228358 564996911 /nfs/dbraw/zinc/99/69/11/564996911.db2.gz XMGHYWDQTDENCL-UHFFFAOYSA-N 0 1 378.255 3.262 20 0 GGADMN O=C(Cc1cccs1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000107265807 564997090 /nfs/dbraw/zinc/99/70/90/564997090.db2.gz IZCNXHLJCLDPLY-UHFFFAOYSA-N 0 1 377.941 3.273 20 0 GGADMN C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C[C@@H](C)N1 ZINC000153541721 564999813 /nfs/dbraw/zinc/99/98/13/564999813.db2.gz JVMHQCSBNQOXKY-CHWSQXEVSA-N 0 1 392.297 3.246 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cnn(-c2cccc(Br)c2)c1 ZINC000153541195 564999823 /nfs/dbraw/zinc/99/98/23/564999823.db2.gz WGIMFUJLSDWHKT-UHFFFAOYSA-N 0 1 383.209 3.158 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)C[C@H]1CCCOC1 ZINC000107696131 565001294 /nfs/dbraw/zinc/00/12/94/565001294.db2.gz WJYUFWJJGOAGBV-LLVKDONJSA-N 0 1 389.279 3.077 20 0 GGADMN CN(C[C@@H]1CCCOC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000107658524 565001621 /nfs/dbraw/zinc/00/16/21/565001621.db2.gz URTMDUVXDRFALH-LBPRGKRZSA-N 0 1 378.270 3.338 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCCOC1 ZINC000107688449 565001650 /nfs/dbraw/zinc/00/16/50/565001650.db2.gz JRPOQCJXXNKPIC-LLVKDONJSA-N 0 1 375.694 3.399 20 0 GGADMN 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ZINC000110080638 565035460 /nfs/dbraw/zinc/03/54/60/565035460.db2.gz BOLSYXZSSMSHET-CPJLOUKISA-N 0 1 377.535 3.444 20 0 GGADMN O=C1CCC(=O)N1c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000110592508 565042491 /nfs/dbraw/zinc/04/24/91/565042491.db2.gz DJHGWKCDRQIRIQ-UHFFFAOYSA-N 0 1 399.255 3.448 20 0 GGADMN CC(=O)[C@H](NC(=O)CNC1(c2cccc(Br)c2)CCC1)C(C)C ZINC000154569967 565045131 /nfs/dbraw/zinc/04/51/31/565045131.db2.gz WOMVUIIFRBQIHY-QGZVFWFLSA-N 0 1 381.314 3.148 20 0 GGADMN Brc1cccc(-c2noc(CN3CCC[C@@H](C4OCCO4)C3)n2)c1 ZINC000110848397 565045903 /nfs/dbraw/zinc/04/59/03/565045903.db2.gz IRRDOESOIMEPFC-CYBMUJFWSA-N 0 1 394.269 3.084 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000154623229 565046508 /nfs/dbraw/zinc/04/65/08/565046508.db2.gz GYPRSHQGMVDAMZ-DGCLKSJQSA-N 0 1 378.270 3.215 20 0 GGADMN COc1ccc(CN(C)CCn2cc(Br)cn2)cc1OC(F)F ZINC000111200327 565051050 /nfs/dbraw/zinc/05/10/50/565051050.db2.gz ZMYULKWEURUNMX-UHFFFAOYSA-N 0 1 390.228 3.388 20 0 GGADMN Cn1ccc(N2CCC[C@H](N[C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)n1 ZINC000154726892 565051085 /nfs/dbraw/zinc/05/10/85/565051085.db2.gz NHLAEIQHGSLJMQ-HOTGVXAUSA-N 0 1 379.291 3.499 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N[C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)n1 ZINC000154726989 565051189 /nfs/dbraw/zinc/05/11/89/565051189.db2.gz NHLAEIQHGSLJMQ-JKSUJKDBSA-N 0 1 379.291 3.499 20 0 GGADMN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231789 565051406 /nfs/dbraw/zinc/05/14/06/565051406.db2.gz AGJOZWRVXOQTAT-SUHUHFCYSA-N 0 1 388.213 3.121 20 0 GGADMN Cc1ccccc1CS(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000111335298 565052836 /nfs/dbraw/zinc/05/28/36/565052836.db2.gz HGGANYUXPCULBB-QGZVFWFLSA-N 0 1 378.563 3.388 20 0 GGADMN O=C([N-]CCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000154822722 565053501 /nfs/dbraw/zinc/05/35/01/565053501.db2.gz QNRBMUYDAIBJBN-HNNXBMFYSA-N 0 1 378.822 3.154 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000111772620 565057617 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C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000112286056 565061922 /nfs/dbraw/zinc/06/19/22/565061922.db2.gz ZRLGBMIMVPPQDP-SECBINFHSA-N 0 1 377.198 3.233 20 0 GGADMN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccc(Br)cc1O ZINC000155116008 565062188 /nfs/dbraw/zinc/06/21/88/565062188.db2.gz QTJQHTLJBLRRAG-UHFFFAOYSA-N 0 1 379.185 3.431 20 0 GGADMN CCOC(=O)C(C)(C)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000112323733 565062567 /nfs/dbraw/zinc/06/25/67/565062567.db2.gz YGMPFMSKQOMVMQ-UHFFFAOYSA-N 0 1 394.269 3.253 20 0 GGADMN COCC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000112312222 565062660 /nfs/dbraw/zinc/06/26/60/565062660.db2.gz FMQJMCARSKSIIK-UHFFFAOYSA-N 0 1 378.270 3.338 20 0 GGADMN CC(C)OC1CCC(N[C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000155169851 565063300 /nfs/dbraw/zinc/06/33/00/565063300.db2.gz BMNJJKLICJATPK-SEEARECTSA-N 0 1 387.293 3.440 20 0 GGADMN O=C(CCNCc1nc(-c2ccc(Br)cc2)c[nH]1)N1CCCCC1 ZINC000112372192 565063658 /nfs/dbraw/zinc/06/36/58/565063658.db2.gz QTYDBGBQDAFZPO-UHFFFAOYSA-N 0 1 391.313 3.331 20 0 GGADMN O=C(Nc1cccc2c[nH]nc21)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112627910 565065116 /nfs/dbraw/zinc/06/51/16/565065116.db2.gz QALKTKIRKUEPIJ-UHFFFAOYSA-N 0 1 383.205 3.419 20 0 GGADMN COC[C@@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000112939985 565067027 /nfs/dbraw/zinc/06/70/27/565067027.db2.gz AAOGTVAJURJABZ-GFCCVEGCSA-N 0 1 378.270 3.338 20 0 GGADMN CCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@H](C)CS(=O)(=O)CC ZINC000112957802 565067364 /nfs/dbraw/zinc/06/73/64/565067364.db2.gz GKGWCVZRVIMIKK-GFCCVEGCSA-N 0 1 383.901 3.015 20 0 GGADMN CN(C)c1ncc(Br)cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000113141570 565068107 /nfs/dbraw/zinc/06/81/07/565068107.db2.gz UNLKZGHCZVVXIP-CYBMUJFWSA-N 0 1 397.342 3.004 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1COc2ccccc21 ZINC000113158447 565068256 /nfs/dbraw/zinc/06/82/56/565068256.db2.gz BHGNJHSUFFLIKJ-CYBMUJFWSA-N 0 1 385.221 3.349 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2Br)CC1 ZINC000155613820 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565131353 /nfs/dbraw/zinc/13/13/53/565131353.db2.gz MVJJWLGUENTUQP-GFCCVEGCSA-N 0 1 375.885 3.337 20 0 GGADMN O=C(Nc1ccccc1-c1nnc[nH]1)C1(c2cncc(Br)c2)CC1 ZINC000370246729 565134403 /nfs/dbraw/zinc/13/44/03/565134403.db2.gz IDQLWWOKALCDIV-UHFFFAOYSA-N 0 1 384.237 3.300 20 0 GGADMN Cc1nc(SCC(=O)Nc2cccc(CN3CCSCC3)c2)[nH]c1C ZINC000292786020 565134848 /nfs/dbraw/zinc/13/48/48/565134848.db2.gz YZLYVLXHABRTOP-UHFFFAOYSA-N 0 1 376.551 3.306 20 0 GGADMN CC(=O)N1Cc2ccc(NC(=O)c3ccc(Br)cc3O)cc2C1 ZINC000370267382 565135558 /nfs/dbraw/zinc/13/55/58/565135558.db2.gz FAAAIZJUOSHTTD-UHFFFAOYSA-N 0 1 375.222 3.269 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@H](O)COC1CCOCC1 ZINC000268001156 565136998 /nfs/dbraw/zinc/13/69/98/565136998.db2.gz NFJWFWUMNRYSBI-INIZCTEOSA-N 0 1 386.330 3.218 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292882856 565139743 /nfs/dbraw/zinc/13/97/43/565139743.db2.gz FAZKQIAMAAQXII-SJORKVTESA-N 0 1 379.302 3.321 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)NCCCc1ccc(Br)cc1F ZINC000184501622 565139909 /nfs/dbraw/zinc/13/99/09/565139909.db2.gz FIDOWINOMGILTN-QMMMGPOBSA-N 0 1 392.212 3.391 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@H](C)c2cc(C)sc2C)n1 ZINC000157638677 565140059 /nfs/dbraw/zinc/14/00/59/565140059.db2.gz MHEIELRKGRIKPS-LLVKDONJSA-N 0 1 381.523 3.216 20 0 GGADMN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1cc(F)c(F)c(F)c1 ZINC000157639611 565140119 /nfs/dbraw/zinc/14/01/19/565140119.db2.gz FNMSZBVESVMXKZ-UHFFFAOYSA-N 0 1 386.273 3.241 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCc1ccccc1OC(F)(F)F ZINC000268102663 565141073 /nfs/dbraw/zinc/14/10/73/565141073.db2.gz AYPXHCQUALCDEF-UHFFFAOYSA-N 0 1 395.453 3.176 20 0 GGADMN OCc1cn([C@H]2CCCN([C@H]3CCCc4ccc(Br)cc43)C2)nn1 ZINC000292965067 565143385 /nfs/dbraw/zinc/14/33/85/565143385.db2.gz LTLGEPVJXHEFOQ-WMZOPIPTSA-N 0 1 391.313 3.247 20 0 GGADMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(F)c(F)cc2F)c(F)c1 ZINC000157773484 565144118 /nfs/dbraw/zinc/14/41/18/565144118.db2.gz 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O=C(Nc1ccc(I)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184723587 565153667 /nfs/dbraw/zinc/15/36/67/565153667.db2.gz KGMCPDOGPLZPSH-UHFFFAOYSA-N 0 1 390.184 3.329 20 0 GGADMN O=C(Nc1cccc(I)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184732765 565153751 /nfs/dbraw/zinc/15/37/51/565153751.db2.gz XJABKGKBEVHKBO-UHFFFAOYSA-N 0 1 390.184 3.329 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCc2cccc(Br)n2)cc1 ZINC000293176271 565154303 /nfs/dbraw/zinc/15/43/03/565154303.db2.gz NQYYCSOVOQPRJK-LBPRGKRZSA-N 0 1 379.254 3.247 20 0 GGADMN CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cnccc2C)c1 ZINC000158071268 565155703 /nfs/dbraw/zinc/15/57/03/565155703.db2.gz TWVVFLMWSWUGKG-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN NC(=O)C1(NCc2cccc(Br)c2OC(F)F)CCCCC1 ZINC000158097123 565156034 /nfs/dbraw/zinc/15/60/34/565156034.db2.gz STMFPDDFOCTEAZ-UHFFFAOYSA-N 0 1 377.229 3.328 20 0 GGADMN Clc1ccc(-n2cc(CN3CCC4(CC3)OCCCO4)nn2)cc1Cl ZINC000293217470 565157175 /nfs/dbraw/zinc/15/71/75/565157175.db2.gz YOKKMPAPGNLDGK-UHFFFAOYSA-N 0 1 383.279 3.303 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1Cl ZINC000184811231 565157535 /nfs/dbraw/zinc/15/75/35/565157535.db2.gz TUSVZPMDZSSQHC-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN CSCc1cnc(CNc2cccc(CN3CCC[C@H]3C(N)=O)c2)s1 ZINC000293240523 565158220 /nfs/dbraw/zinc/15/82/20/565158220.db2.gz LGCFUUYVZLOZAQ-INIZCTEOSA-N 0 1 376.551 3.068 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)nc1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184881492 565163866 /nfs/dbraw/zinc/16/38/66/565163866.db2.gz IKSIKSLMHRPLCT-NSHDSACASA-N 0 1 386.832 3.090 20 0 GGADMN COc1cc(C)c(Br)cc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000184899736 565164734 /nfs/dbraw/zinc/16/47/34/565164734.db2.gz MFATZSMBEHUGMF-LLVKDONJSA-N 0 1 378.288 3.077 20 0 GGADMN COc1ccsc1CNCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000268779215 565168376 /nfs/dbraw/zinc/16/83/76/565168376.db2.gz HZHMTJLCZCJBPK-UHFFFAOYSA-N 0 1 380.535 3.221 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C)Cn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268829693 565168935 /nfs/dbraw/zinc/16/89/35/565168935.db2.gz 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ZINC000269049091 565176780 /nfs/dbraw/zinc/17/67/80/565176780.db2.gz ZTKHLGUGDSEVLC-ZDUSSCGKSA-N 0 1 381.217 3.130 20 0 GGADMN Cn1ncc(CCCN[C@@H](c2ccco2)c2ccc(Br)cc2)n1 ZINC000293649556 565178981 /nfs/dbraw/zinc/17/89/81/565178981.db2.gz HTDBBPFFKOCACJ-QGZVFWFLSA-N 0 1 375.270 3.482 20 0 GGADMN CC(C)CN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000269195666 565180878 /nfs/dbraw/zinc/18/08/78/565180878.db2.gz PQBSCIHMCJDXCO-UHFFFAOYSA-N 0 1 384.217 3.273 20 0 GGADMN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000158786360 565182440 /nfs/dbraw/zinc/18/24/40/565182440.db2.gz QYJJRHKHHIZKGJ-UHFFFAOYSA-N 0 1 387.230 3.347 20 0 GGADMN Cc1nccnc1CCNCc1c(Br)cncc1Br ZINC000293753973 565182643 /nfs/dbraw/zinc/18/26/43/565182643.db2.gz XDFIWCKEZRREKQ-UHFFFAOYSA-N 0 1 386.091 3.037 20 0 GGADMN O=C1CSc2ccc(NS(=O)(=O)c3c[nH]c4cccc(F)c43)cc2N1 ZINC000185178969 565184520 /nfs/dbraw/zinc/18/45/20/565184520.db2.gz CXIVNWUDVCJREX-UHFFFAOYSA-N 0 1 377.422 3.152 20 0 GGADMN Cc1cc(N2CC[C@@H](NCc3cnn(C(C)C)c3)C2=O)ccc1Br ZINC000185188555 565185676 /nfs/dbraw/zinc/18/56/76/565185676.db2.gz NPPRCYWJZKFGNB-QGZVFWFLSA-N 0 1 391.313 3.430 20 0 GGADMN Cc1ncc(CN[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)s1 ZINC000185189867 565185971 /nfs/dbraw/zinc/18/59/71/565185971.db2.gz IPOWTKUFTVWPDG-HNNXBMFYSA-N 0 1 380.311 3.418 20 0 GGADMN Cn1nccc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000371339636 565187646 /nfs/dbraw/zinc/18/76/46/565187646.db2.gz UMFVZFZHPDOQOR-UHFFFAOYSA-N 0 1 377.286 3.033 20 0 GGADMN CCCOc1ccc2c(c1)CCN(C(=O)CSc1n[nH]c(=S)s1)C2 ZINC000269414410 565189283 /nfs/dbraw/zinc/18/92/83/565189283.db2.gz FYVDRAWLCYTVPH-UHFFFAOYSA-N 0 1 381.548 3.293 20 0 GGADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185249433 565189872 /nfs/dbraw/zinc/18/98/72/565189872.db2.gz RJKKBQGHSJPKIA-DEOSSOPVSA-N 0 1 380.466 3.295 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000185267508 565191585 /nfs/dbraw/zinc/19/15/85/565191585.db2.gz UOUNDCYHOOIIMX-NSHDSACASA-N 0 1 386.832 3.090 20 0 GGADMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cc(F)ccc2Br)cn1 ZINC000371417098 565192437 /nfs/dbraw/zinc/19/24/37/565192437.db2.gz JDOJTOPXKDUMIU-DOTOQJQBSA-N 0 1 382.277 3.410 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000293964058 565193377 /nfs/dbraw/zinc/19/33/77/565193377.db2.gz RHEXTGFGZVTNKZ-OAHLLOKOSA-N 0 1 391.313 3.371 20 0 GGADMN COCCc1ccc(OC[C@H](O)CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000294002041 565194420 /nfs/dbraw/zinc/19/44/20/565194420.db2.gz GDDPXPLCSDKRRV-NXHRZFHOSA-N 0 1 388.335 3.131 20 0 GGADMN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(F)cc2Br)cn1 ZINC000371461308 565194616 /nfs/dbraw/zinc/19/46/16/565194616.db2.gz XBBVADFNSFDORQ-WBVHZDCISA-N 0 1 382.277 3.410 20 0 GGADMN O=C(CCNC(=O)c1cccc2nc[nH]c21)Nc1ccc(Br)cc1 ZINC000159115388 565195054 /nfs/dbraw/zinc/19/50/54/565195054.db2.gz IYZSNDGBKDCRAV-UHFFFAOYSA-N 0 1 387.237 3.084 20 0 GGADMN CSCc1cnc(CNC[C@H](c2ccc(F)cc2)N2CCOCC2)s1 ZINC000294045105 565196023 /nfs/dbraw/zinc/19/60/23/565196023.db2.gz IXZQAOHIFQDLQO-QGZVFWFLSA-N 0 1 381.542 3.308 20 0 GGADMN CCn1cc([C@@H](C)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185359060 565196942 /nfs/dbraw/zinc/19/69/42/565196942.db2.gz JFZPRRUZDJDADY-DYVFJYSZSA-N 0 1 391.313 3.430 20 0 GGADMN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000294084315 565197251 /nfs/dbraw/zinc/19/72/51/565197251.db2.gz MGMSQNMJKLZHOZ-FMEYXAORSA-N 0 1 391.309 3.251 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269720309 565197437 /nfs/dbraw/zinc/19/74/37/565197437.db2.gz SZCWUBDUHGNQAI-OLZOCXBDSA-N 0 1 399.538 3.173 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269720311 565197541 /nfs/dbraw/zinc/19/75/41/565197541.db2.gz SZCWUBDUHGNQAI-QWHCGFSZSA-N 0 1 399.538 3.173 20 0 GGADMN CS(=O)(=O)CC1CCC(Nc2ccccc2CN2CCSCC2)CC1 ZINC000294077816 565197606 /nfs/dbraw/zinc/19/76/06/565197606.db2.gz IGQAKJMCOCYSLX-UHFFFAOYSA-N 0 1 382.595 3.251 20 0 GGADMN OCCOCCN[C@H](Cc1ccccc1F)c1ccccc1Br ZINC000159198201 565197639 /nfs/dbraw/zinc/19/76/39/565197639.db2.gz RKTGFUKUTBSOJI-GOSISDBHSA-N 0 1 382.273 3.471 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000269793552 565199931 /nfs/dbraw/zinc/19/99/31/565199931.db2.gz HRTYTQQCFSMWAD-SECBINFHSA-N 0 1 387.939 3.252 20 0 GGADMN O=C(c1ccc(Br)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000159279571 565200782 /nfs/dbraw/zinc/20/07/82/565200782.db2.gz ZIAOYBKDSAJVKY-UHFFFAOYSA-N 0 1 387.705 3.039 20 0 GGADMN CC(=O)N(c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1)[C@H]1C[C@@H]1C ZINC000294194235 565201795 /nfs/dbraw/zinc/20/17/95/565201795.db2.gz OZBZKDVNDCKOPT-ZANVPECISA-N 0 1 394.547 3.319 20 0 GGADMN COc1ccc(Br)c(CN[C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269901570 565201964 /nfs/dbraw/zinc/20/19/64/565201964.db2.gz FSEXFRRHHWMLLG-QAPCUYQASA-N 0 1 380.282 3.032 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000159321764 565202175 /nfs/dbraw/zinc/20/21/75/565202175.db2.gz IJUAZSGBIIKICU-MRXNPFEDSA-N 0 1 379.287 3.142 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccnc(Br)c2)cc1 ZINC000294182045 565202222 /nfs/dbraw/zinc/20/22/22/565202222.db2.gz QMQZPBURWXZJLD-GFCCVEGCSA-N 0 1 383.311 3.489 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)CSc1nnc(C)[nH]1 ZINC000185453257 565203051 /nfs/dbraw/zinc/20/30/51/565203051.db2.gz XACMVMLILVFLLM-CYBMUJFWSA-N 0 1 397.342 3.447 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)CSc1nc(C)n[nH]1 ZINC000185453257 565203057 /nfs/dbraw/zinc/20/30/57/565203057.db2.gz XACMVMLILVFLLM-CYBMUJFWSA-N 0 1 397.342 3.447 20 0 GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000185479115 565203686 /nfs/dbraw/zinc/20/36/86/565203686.db2.gz WOWFANPKNNNXJG-AWEZNQCLSA-N 0 1 376.844 3.453 20 0 GGADMN Cc1ncc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000270004976 565205579 /nfs/dbraw/zinc/20/55/79/565205579.db2.gz SJHXSXATLVWUAH-YOEHRIQHSA-N 0 1 379.551 3.125 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000270049592 565207094 /nfs/dbraw/zinc/20/70/94/565207094.db2.gz HGWHYCIMZXPOPA-AAEUAGOBSA-N 0 1 381.548 3.203 20 0 GGADMN COC(=O)C[C@@H]1CN(C(=O)c2ccc(Br)cc2O)c2ccccc21 ZINC000371786288 565209625 /nfs/dbraw/zinc/20/96/25/565209625.db2.gz GGMONGUAIFPOGM-LLVKDONJSA-N 0 1 390.233 3.462 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)[nH]1 ZINC000294362352 565210053 /nfs/dbraw/zinc/21/00/53/565210053.db2.gz OATBOBYTKLAGLB-ZCFIWIBFSA-N 0 1 379.795 3.150 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)n1 ZINC000294362352 565210056 /nfs/dbraw/zinc/21/00/56/565210056.db2.gz OATBOBYTKLAGLB-ZCFIWIBFSA-N 0 1 379.795 3.150 20 0 GGADMN O=C(Cc1ccn[nH]1)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000371792047 565210870 /nfs/dbraw/zinc/21/08/70/565210870.db2.gz GGAVRBTVNBLEMD-OAHLLOKOSA-N 0 1 381.263 3.279 20 0 GGADMN O=S(=O)(Nc1ncccc1Cl)c1cc(Br)cc2c1OCC2 ZINC000185617678 565211241 /nfs/dbraw/zinc/21/12/41/565211241.db2.gz PCHDPDFWKFSBEH-UHFFFAOYSA-N 0 1 389.658 3.233 20 0 GGADMN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000185651762 565213141 /nfs/dbraw/zinc/21/31/41/565213141.db2.gz GBMGHXDQDSHIPX-XMMPIXPASA-N 0 1 393.408 3.265 20 0 GGADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000185654436 565213568 /nfs/dbraw/zinc/21/35/68/565213568.db2.gz AFBSRTHSKQWRMV-QHCPKHFHSA-N 0 1 377.409 3.385 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000270259109 565213858 /nfs/dbraw/zinc/21/38/58/565213858.db2.gz TZUMNXBYJVBVQS-CYBMUJFWSA-N 0 1 380.897 3.423 20 0 GGADMN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000185658630 565214908 /nfs/dbraw/zinc/21/49/08/565214908.db2.gz URAOTTIYIVHCNL-HXUWFJFHSA-N 0 1 388.308 3.128 20 0 GGADMN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(c2nc[nH]n2)CC1 ZINC000371918845 565215216 /nfs/dbraw/zinc/21/52/16/565215216.db2.gz POUIZJLOFFJEEC-UHFFFAOYSA-N 0 1 394.806 3.045 20 0 GGADMN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000371918793 565215932 /nfs/dbraw/zinc/21/59/32/565215932.db2.gz OUCDKOSWTXQVPD-UHFFFAOYSA-N 0 1 394.806 3.045 20 0 GGADMN CC(=O)N(c1nnc(SCCN(C)Cc2ccc(F)cc2)s1)C1CC1 ZINC000185686864 565215897 /nfs/dbraw/zinc/21/58/97/565215897.db2.gz YVJFRVNNDGAEJR-UHFFFAOYSA-N 0 1 380.514 3.417 20 0 GGADMN C[C@@H](Cc1ccccc1Br)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000371936744 565216840 /nfs/dbraw/zinc/21/68/40/565216840.db2.gz GIHGEHRBDLCICJ-JSGCOSHPSA-N 0 1 392.301 3.087 20 0 GGADMN CC1(C)CN(C(=O)c2cc(Br)ccc2Br)CCN1 ZINC000159721929 565216836 /nfs/dbraw/zinc/21/68/36/565216836.db2.gz BZVAFSFJQGDXLY-UHFFFAOYSA-N 0 1 376.092 3.036 20 0 GGADMN CCc1c(NC(=O)[C@@H]2CCCC(=O)N2)[nH]nc1-c1ccc(Br)cc1 ZINC000270417688 565218318 /nfs/dbraw/zinc/21/83/18/565218318.db2.gz KAPSAABQADDUMV-ZDUSSCGKSA-N 0 1 391.269 3.009 20 0 GGADMN CN1CCN(c2ccc(NC(=O)C3SCCS3)c(C(F)(F)F)c2)CC1 ZINC000270435816 565218399 /nfs/dbraw/zinc/21/83/99/565218399.db2.gz XWGMCYKHUJOTKL-UHFFFAOYSA-N 0 1 391.484 3.202 20 0 GGADMN Cn1ncc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1Cl ZINC000294593388 565218617 /nfs/dbraw/zinc/21/86/17/565218617.db2.gz LQGNTARGUPWLHZ-UHFFFAOYSA-N 0 1 381.307 3.369 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000270494587 565220327 /nfs/dbraw/zinc/22/03/27/565220327.db2.gz VIRZAZLPXFXWTL-UHFFFAOYSA-N 0 1 379.507 3.402 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC)cc2)c1 ZINC000270478787 565220502 /nfs/dbraw/zinc/22/05/02/565220502.db2.gz PJWIEOOFTDLICV-UHFFFAOYSA-N 0 1 379.507 3.484 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@H](CO)CC1 ZINC000294639075 565220900 /nfs/dbraw/zinc/22/09/00/565220900.db2.gz SOKCPJRVQFDLEC-LBPRGKRZSA-N 0 1 378.270 3.074 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)Cc2ccccc2C(F)(F)F)n[nH]1 ZINC000270567596 565222478 /nfs/dbraw/zinc/22/24/78/565222478.db2.gz MHWTVMQGHBVFHE-JTQLQIEISA-N 0 1 376.404 3.128 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1Br ZINC000270575286 565222569 /nfs/dbraw/zinc/22/25/69/565222569.db2.gz OKWRVJSSEWZLOB-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN CC(C)c1nc(CNCc2ncc(Br)cc2Br)n[nH]1 ZINC000294675221 565222724 /nfs/dbraw/zinc/22/27/24/565222724.db2.gz BFICQHWTAZPRIF-UHFFFAOYSA-N 0 1 389.095 3.138 20 0 GGADMN COc1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc(OC)c1Br ZINC000270604756 565223257 /nfs/dbraw/zinc/22/32/57/565223257.db2.gz DNXVARVMBFDGMM-VIFPVBQESA-N 0 1 397.273 3.199 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000270598931 565223329 /nfs/dbraw/zinc/22/33/29/565223329.db2.gz VIBHALMHLLVBKS-SECBINFHSA-N 0 1 377.297 3.416 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cnc2n1CCCC2 ZINC000372150111 565223785 /nfs/dbraw/zinc/22/37/85/565223785.db2.gz RPCWHLCMRAOZKK-UHFFFAOYSA-N 0 1 387.241 3.019 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n[nH]1 ZINC000270613092 565224072 /nfs/dbraw/zinc/22/40/72/565224072.db2.gz FQGDEZYFADQCHV-SECBINFHSA-N 0 1 381.267 3.303 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(Br)ccc1Br ZINC000160506992 565247623 /nfs/dbraw/zinc/24/76/23/565247623.db2.gz YDCHOHCXFSCAJT-JTQLQIEISA-N 0 1 388.103 3.178 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000270634938 565225086 /nfs/dbraw/zinc/22/50/86/565225086.db2.gz JTSFEQZLNFSECX-QMMMGPOBSA-N 0 1 376.408 3.006 20 0 GGADMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccc(C(F)(F)F)nc1Cl ZINC000294741540 565225727 /nfs/dbraw/zinc/22/57/27/565225727.db2.gz PJPGEXXJINEBPB-SECBINFHSA-N 0 1 375.782 3.462 20 0 GGADMN CCc1c(NC(=O)[C@@H](O)CCSC)[nH]nc1-c1ccc(Br)cc1 ZINC000294729092 565225777 /nfs/dbraw/zinc/22/57/77/565225777.db2.gz VPYCPTQTSOAWLK-ZDUSSCGKSA-N 0 1 398.326 3.454 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CSCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000270725384 565226111 /nfs/dbraw/zinc/22/61/11/565226111.db2.gz IRNRHVZWOJHNSP-NSHDSACASA-N 0 1 380.901 3.375 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)CSCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000270725381 565226274 /nfs/dbraw/zinc/22/62/74/565226274.db2.gz IRNRHVZWOJHNSP-LLVKDONJSA-N 0 1 380.901 3.375 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(Br)c(F)c2)n[nH]1 ZINC000270679525 565226428 /nfs/dbraw/zinc/22/64/28/565226428.db2.gz MJOCFBZSCVTEMA-VIFPVBQESA-N 0 1 384.253 3.390 20 0 GGADMN COc1ccccc1C[C@@H](NCc1csc(CS(C)(=O)=O)n1)C(C)C ZINC000185889405 565226659 /nfs/dbraw/zinc/22/66/59/565226659.db2.gz TXQCWSPTFXNQOY-MRXNPFEDSA-N 0 1 382.551 3.053 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n[nH]1 ZINC000270735005 565226945 /nfs/dbraw/zinc/22/69/45/565226945.db2.gz ZDBGGDLEIOOTCD-LURJTMIESA-N 0 1 390.658 3.143 20 0 GGADMN CCc1nc([C@H](C)NCc2nc(-c3cccc(Br)c3)c[nH]2)n[nH]1 ZINC000270747123 565227038 /nfs/dbraw/zinc/22/70/38/565227038.db2.gz WZNFPEAWUHLSNG-JTQLQIEISA-N 0 1 375.274 3.371 20 0 GGADMN CCc1nc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)n[nH]1 ZINC000270726135 565227762 /nfs/dbraw/zinc/22/77/62/565227762.db2.gz IWCWGAIFBZRCAR-QMMMGPOBSA-N 0 1 387.665 3.039 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2cc(Br)ccc2F)n[nH]1 ZINC000270795787 565228285 /nfs/dbraw/zinc/22/82/85/565228285.db2.gz WAIQBUONACUHDB-VIFPVBQESA-N 0 1 384.253 3.390 20 0 GGADMN C[C@H](CCn1cccn1)NCc1c(Br)cncc1Br ZINC000294818228 565230470 /nfs/dbraw/zinc/23/04/70/565230470.db2.gz OOXOPIVIQBOXML-SNVBAGLBSA-N 0 1 388.107 3.372 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)Nc1nncs1 ZINC000185931355 565230208 /nfs/dbraw/zinc/23/02/08/565230208.db2.gz WCCWZEHFGHLEBT-GFCCVEGCSA-N 0 1 383.315 3.192 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1C ZINC000185955429 565231234 /nfs/dbraw/zinc/23/12/34/565231234.db2.gz OESPMKFFNYGAMA-UHFFFAOYSA-N 0 1 377.388 3.174 20 0 GGADMN O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270891514 565231674 /nfs/dbraw/zinc/23/16/74/565231674.db2.gz YDMYAMTVGROSSX-ZDUSSCGKSA-N 0 1 380.901 3.045 20 0 GGADMN COc1c(C)cc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1C ZINC000185960446 565231694 /nfs/dbraw/zinc/23/16/94/565231694.db2.gz LLTAANKKIFLIOQ-UHFFFAOYSA-N 0 1 377.388 3.174 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1n[nH]c(C(C)C)n1 ZINC000294845256 565231913 /nfs/dbraw/zinc/23/19/13/565231913.db2.gz RNISKCPJPDJVMM-UHFFFAOYSA-N 0 1 389.301 3.475 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3c(Br)cnn3C)[nH]c2c1 ZINC000294843230 565232034 /nfs/dbraw/zinc/23/20/34/565232034.db2.gz MTSQRBSDCXKKLR-CQSZACIVSA-N 0 1 388.269 3.345 20 0 GGADMN C[C@](O)(CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1Cl ZINC000372339902 565233036 /nfs/dbraw/zinc/23/30/36/565233036.db2.gz XGQHVPZSMLLDNT-AEFFLSMTSA-N 0 1 383.872 3.195 20 0 GGADMN Nc1ncccc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000294911768 565236127 /nfs/dbraw/zinc/23/61/27/565236127.db2.gz JDYGYKOWHJYMRQ-UHFFFAOYSA-N 0 1 389.297 3.277 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](NCc1cnc(Br)s1)C1CC1 ZINC000294950317 565237017 /nfs/dbraw/zinc/23/70/17/565237017.db2.gz IZWCDIWYTWDYPV-NSHDSACASA-N 0 1 376.320 3.299 20 0 GGADMN C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cscn1 ZINC000271123058 565238714 /nfs/dbraw/zinc/23/87/14/565238714.db2.gz JYJYCLJEUUPSSC-CYBMUJFWSA-N 0 1 385.580 3.273 20 0 GGADMN COC[C@]1(C)CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000295041416 565241952 /nfs/dbraw/zinc/24/19/52/565241952.db2.gz DWHGGARQGOYGJZ-GOSISDBHSA-N 0 1 383.330 3.144 20 0 GGADMN NC(=O)CCC1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000271201793 565242661 /nfs/dbraw/zinc/24/26/61/565242661.db2.gz QCEQIYMHZZEYLE-UHFFFAOYSA-N 0 1 391.313 3.317 20 0 GGADMN COc1cc(CN[C@@H](CO)c2ccc(Br)cc2)cc(OC)c1OC ZINC000271200871 565242728 /nfs/dbraw/zinc/24/27/28/565242728.db2.gz FNONRDLTGMLRNA-HNNXBMFYSA-N 0 1 396.281 3.298 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3cnc(Br)s3)CC23CCOCC3)cn1 ZINC000295061641 565242730 /nfs/dbraw/zinc/24/27/30/565242730.db2.gz CEYIMHXHPLDMPM-AWEZNQCLSA-N 0 1 397.342 3.035 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000186180299 565244824 /nfs/dbraw/zinc/24/48/24/565244824.db2.gz VHWJQQHKDJEOKX-DXMSMQRWSA-N 0 1 379.547 3.245 20 0 GGADMN COCCOc1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000271286250 565246376 /nfs/dbraw/zinc/24/63/76/565246376.db2.gz LNCJEVPVOFVKFM-GOSISDBHSA-N 0 1 380.282 3.298 20 0 GGADMN COc1ccsc1S(=O)(=O)N(c1cccc(F)c1)C1CCN(C)CC1 ZINC000372585366 565246387 /nfs/dbraw/zinc/24/63/87/565246387.db2.gz JONHJNTZCMPUFN-UHFFFAOYSA-N 0 1 384.498 3.185 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3ccc(Br)o3)CC23CCOCC3)cn1 ZINC000295139574 565246518 /nfs/dbraw/zinc/24/65/18/565246518.db2.gz ZPLSQUWMRIDVHR-HNNXBMFYSA-N 0 1 380.286 3.172 20 0 GGADMN CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1[nH]nc2c1CNCC2 ZINC000372579575 565246789 /nfs/dbraw/zinc/24/67/89/565246789.db2.gz YBZMMUIEFACRBN-UHFFFAOYSA-N 0 1 395.276 3.008 20 0 GGADMN C[C@H]1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C[C@@H]1C ZINC000271300903 565247557 /nfs/dbraw/zinc/24/75/57/565247557.db2.gz BYQUISVMAWTMBB-UWVGGRQHSA-N 0 1 396.228 3.273 20 0 GGADMN COCC1=CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000186224164 565248687 /nfs/dbraw/zinc/24/86/87/565248687.db2.gz IIYJLBYTSZJQRX-UHFFFAOYSA-N 0 1 376.254 3.258 20 0 GGADMN O=C(COc1c(Cl)cc(Cl)cc1Cl)NC1(c2nnc[nH]2)CCC1 ZINC000295166069 565249112 /nfs/dbraw/zinc/24/91/12/565249112.db2.gz FYVQXGXFAGVTOS-UHFFFAOYSA-N 0 1 375.643 3.339 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cncc(Cl)c3C)cc2C[C@@H]1C ZINC000295190497 565250401 /nfs/dbraw/zinc/25/04/01/565250401.db2.gz KVOKYCJQFUBESF-JTQLQIEISA-N 0 1 379.869 3.142 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2ccc(Br)nc2C)cc1 ZINC000271373251 565250902 /nfs/dbraw/zinc/25/09/02/565250902.db2.gz LNHAIUSDDMVNEM-UHFFFAOYSA-N 0 1 385.283 3.142 20 0 GGADMN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cncc(Cl)c2C)cc1 ZINC000295211872 565251763 /nfs/dbraw/zinc/25/17/63/565251763.db2.gz PISJCKWJYMMAQA-UHFFFAOYSA-N 0 1 381.885 3.326 20 0 GGADMN C[C@H](NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cscn1 ZINC000271434452 565252817 /nfs/dbraw/zinc/25/28/17/565252817.db2.gz DMEOTYXFDAXVIZ-ZDUSSCGKSA-N 0 1 383.514 3.176 20 0 GGADMN C[C@H]1C[C@@H](NC[C@@H](O)CS(=O)(=O)c2cccs2)c2ccsc2S1 ZINC000271432664 565252895 /nfs/dbraw/zinc/25/28/95/565252895.db2.gz BFVPTMKHIPUZKZ-DMDPSCGWSA-N 0 1 389.589 3.159 20 0 GGADMN COCCc1nc(C)c([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)s1 ZINC000271409937 565252919 /nfs/dbraw/zinc/25/29/19/565252919.db2.gz SUISMIRHDUHWSR-ZDUSSCGKSA-N 0 1 382.551 3.036 20 0 GGADMN O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1Br ZINC000372781903 565253993 /nfs/dbraw/zinc/25/39/93/565253993.db2.gz FKYQLOAQSBGZTI-VXGBXAGGSA-N 0 1 388.693 3.087 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000295244791 565254095 /nfs/dbraw/zinc/25/40/95/565254095.db2.gz JWCYZIRUSXALGS-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3c(Br)cnn3C)c2C1 ZINC000295238989 565254538 /nfs/dbraw/zinc/25/45/38/565254538.db2.gz FUNAUMGQLOHIHN-UHFFFAOYSA-N 0 1 377.286 3.407 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000271507458 565256201 /nfs/dbraw/zinc/25/62/01/565256201.db2.gz IKEXUBOYJMIMCB-RYUDHWBXSA-N 0 1 379.400 3.493 20 0 GGADMN O=C(NCCNc1cccc(Br)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186333080 565256232 /nfs/dbraw/zinc/25/62/32/565256232.db2.gz WWDKKEUREUVWQY-UHFFFAOYSA-N 0 1 386.253 3.076 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1nnnn1-c1ccccc1Br ZINC000186336326 565256268 /nfs/dbraw/zinc/25/62/68/565256268.db2.gz OGIPFABJIUCXGN-HOCLYGCPSA-N 0 1 394.317 3.108 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000295305751 565258942 /nfs/dbraw/zinc/25/89/42/565258942.db2.gz OLQAWQAEAGEIET-UHFFFAOYSA-N 0 1 383.688 3.367 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000271601780 565259991 /nfs/dbraw/zinc/25/99/91/565259991.db2.gz ZOLISTHFNKUCRV-YVEFUNNKSA-N 0 1 398.322 3.237 20 0 GGADMN Brc1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc2c1OCO2 ZINC000372908763 565260150 /nfs/dbraw/zinc/26/01/50/565260150.db2.gz USAXAUZAXHCYRG-OAHLLOKOSA-N 0 1 387.237 3.175 20 0 GGADMN Cc1cc(C2CCN(CC(=O)Nc3ccccc3Br)CC2)[nH]n1 ZINC000271590335 565260195 /nfs/dbraw/zinc/26/01/95/565260195.db2.gz GHXNBSGIGPFXRB-UHFFFAOYSA-N 0 1 377.286 3.299 20 0 GGADMN Cc1cc(Br)ccc1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271635611 565262346 /nfs/dbraw/zinc/26/23/46/565262346.db2.gz DFAPTGXQOOEDDA-GFCCVEGCSA-N 0 1 383.311 3.256 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000271647834 565262447 /nfs/dbraw/zinc/26/24/47/565262447.db2.gz FMIPDLRLILPXIV-IINYFYTJSA-N 0 1 382.295 3.155 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295379545 565262506 /nfs/dbraw/zinc/26/25/06/565262506.db2.gz IFEUEPOUUVFVBV-UHFFFAOYSA-N 0 1 385.649 3.037 20 0 GGADMN O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1n[nH]c(C2CC2)n1 ZINC000295390146 565263216 /nfs/dbraw/zinc/26/32/16/565263216.db2.gz IXWCNZBPFZZATP-UHFFFAOYSA-N 0 1 375.643 3.338 20 0 GGADMN CCOC(=O)c1cc(CN[C@H](CO)c2ccc(Br)cc2)[nH]c1C ZINC000295401231 565263355 /nfs/dbraw/zinc/26/33/55/565263355.db2.gz MCVYPNMFSUGPKP-MRXNPFEDSA-N 0 1 381.270 3.086 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295404136 565263483 /nfs/dbraw/zinc/26/34/83/565263483.db2.gz KKPVYISQXQJIFT-VIFPVBQESA-N 0 1 381.299 3.242 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295425218 565266400 /nfs/dbraw/zinc/26/64/00/565266400.db2.gz MJFMQEHYZGGPFL-VIFPVBQESA-N 0 1 381.249 3.079 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(Cl)c(Br)cc2F)n[nH]1 ZINC000295459885 565266731 /nfs/dbraw/zinc/26/67/31/565266731.db2.gz HSIIYMLRCPWABO-ZCFIWIBFSA-N 0 1 375.629 3.413 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000271747142 565266871 /nfs/dbraw/zinc/26/68/71/565266871.db2.gz GRNOTJHYJSHEJF-SNVBAGLBSA-N 0 1 388.320 3.335 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000271766577 565266884 /nfs/dbraw/zinc/26/68/84/565266884.db2.gz DHGKEVDTSUOXSP-KXTXEXGHSA-N 0 1 378.925 3.433 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H](CCO)c1ccco1 ZINC000186546261 565267055 /nfs/dbraw/zinc/26/70/55/565267055.db2.gz FFNJRAUFJJFOEX-SWLSCSKDSA-N 0 1 381.270 3.473 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000271766633 565267803 /nfs/dbraw/zinc/26/78/03/565267803.db2.gz DLFWHORPAUGJMH-YDBLSZJJSA-N 0 1 380.897 3.375 20 0 GGADMN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c1C ZINC000271801581 565268498 /nfs/dbraw/zinc/26/84/98/565268498.db2.gz SDHBQAQXJIVBHT-AWEZNQCLSA-N 0 1 377.535 3.136 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271853051 565269610 /nfs/dbraw/zinc/26/96/10/565269610.db2.gz WRVUNJAHZQDLBC-UOXLDJKESA-N 0 1 380.897 3.375 20 0 GGADMN FC(F)(F)COc1cc(CNCc2cncc(Br)c2)ccn1 ZINC000186589415 565270866 /nfs/dbraw/zinc/27/08/66/565270866.db2.gz GDLKNQKJJXJLHS-UHFFFAOYSA-N 0 1 376.176 3.470 20 0 GGADMN C[C@@H](CC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000295548132 565272630 /nfs/dbraw/zinc/27/26/30/565272630.db2.gz XLASJIUGLPPUBF-VIFPVBQESA-N 0 1 381.249 3.394 20 0 GGADMN O=C(CCSc1ccccc1Br)NCc1n[nH]c(C2CC2)n1 ZINC000295556211 565273328 /nfs/dbraw/zinc/27/33/28/565273328.db2.gz YDDVZLDWUBQYAO-UHFFFAOYSA-N 0 1 381.299 3.243 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000186644929 565274542 /nfs/dbraw/zinc/27/45/42/565274542.db2.gz NJTJUETZJGAJCL-UHFFFAOYSA-N 0 1 387.307 3.324 20 0 GGADMN Cc1cc(CC(=O)NCc2cc(Br)ccc2Br)[nH]n1 ZINC000186649036 565275081 /nfs/dbraw/zinc/27/50/81/565275081.db2.gz QFRURSVLOYPMMV-UHFFFAOYSA-N 0 1 387.075 3.102 20 0 GGADMN COc1ccc(CCNCc2c(Cl)cccc2S(C)(=O)=O)cc1OC ZINC000272066652 565275599 /nfs/dbraw/zinc/27/55/99/565275599.db2.gz DMRORWNPFUSNLW-UHFFFAOYSA-N 0 1 383.897 3.093 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cccc(Br)c1 ZINC000186662570 565275648 /nfs/dbraw/zinc/27/56/48/565275648.db2.gz KFEBQMKJMOAHAN-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@@H]1CCSc2ccc(F)cc21)C(F)(F)F ZINC000272053868 565275842 /nfs/dbraw/zinc/27/58/42/565275842.db2.gz HUYRNUYXQGHKAD-IUODEOHRSA-N 0 1 375.391 3.136 20 0 GGADMN Cc1c(NC(=O)c2ccc(Br)cc2O)cnn1C1CCOCC1 ZINC000295606362 565275985 /nfs/dbraw/zinc/27/59/85/565275985.db2.gz QJPIKTHXKMRPAB-UHFFFAOYSA-N 0 1 380.242 3.263 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 ZINC000186656690 565276104 /nfs/dbraw/zinc/27/61/04/565276104.db2.gz KBVFWWHKYHLROW-NFBGWVBBSA-N 0 1 385.291 3.404 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3ccccc3I)CC2)n[nH]1 ZINC000272056378 565276274 /nfs/dbraw/zinc/27/62/74/565276274.db2.gz FQJYEDZNNABLPJ-UHFFFAOYSA-N 0 1 395.244 3.343 20 0 GGADMN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000272079246 565276939 /nfs/dbraw/zinc/27/69/39/565276939.db2.gz KNPFNISEKYIYIH-RMLUDKJBSA-N 0 1 397.228 3.410 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000272079241 565277168 /nfs/dbraw/zinc/27/71/68/565277168.db2.gz KNPFNISEKYIYIH-CLAHSXSESA-N 0 1 397.228 3.410 20 0 GGADMN COCCC[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000272084448 565277177 /nfs/dbraw/zinc/27/71/77/565277177.db2.gz GSWPECZTGUBXSV-CQSZACIVSA-N 0 1 398.345 3.202 20 0 GGADMN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186670956 565277620 /nfs/dbraw/zinc/27/76/20/565277620.db2.gz KCAJYZIGTWXGCN-KBPBESRZSA-N 0 1 384.929 3.218 20 0 GGADMN Cc1cc(C2CCN(C(=O)COc3ccc(Br)cc3F)CC2)n[nH]1 ZINC000272119145 565278213 /nfs/dbraw/zinc/27/82/13/565278213.db2.gz PVRVRLJRXVBGPC-UHFFFAOYSA-N 0 1 396.260 3.405 20 0 GGADMN C[C@H]1C[C@H](NC[C@](O)(c2nccn2C)C(F)(F)F)c2ccsc2S1 ZINC000272130132 565278439 /nfs/dbraw/zinc/27/84/39/565278439.db2.gz RQANSOHDPWSMPM-CHIMOYNISA-N 0 1 377.457 3.447 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000295647139 565278585 /nfs/dbraw/zinc/27/85/85/565278585.db2.gz GCMZUMHAMBXBAE-SNVBAGLBSA-N 0 1 383.315 3.488 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000186685509 565278641 /nfs/dbraw/zinc/27/86/41/565278641.db2.gz JRPGUWURGGFBCR-UHFFFAOYSA-N 0 1 385.295 3.012 20 0 GGADMN C[C@@H](NC1(c2cccc(Br)c2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000272168580 565279618 /nfs/dbraw/zinc/27/96/18/565279618.db2.gz PGZFMIJXKSHRHJ-GFCCVEGCSA-N 0 1 395.322 3.436 20 0 GGADMN Cc1cc(C2CCN(C(=O)COc3ccc(Br)cc3)CC2)n[nH]1 ZINC000272166957 565279759 /nfs/dbraw/zinc/27/97/59/565279759.db2.gz YCIWQTCUEXBETO-UHFFFAOYSA-N 0 1 378.270 3.266 20 0 GGADMN CCn1nc(C)c(CNC2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000295682883 565280500 /nfs/dbraw/zinc/28/05/00/565280500.db2.gz LCJLZYNCITYOAA-UHFFFAOYSA-N 0 1 392.345 3.123 20 0 GGADMN Cc1ccc(CN[C@H]2CCCOc3c(Br)cccc32)c(=O)n1C ZINC000373355702 565280649 /nfs/dbraw/zinc/28/06/49/565280649.db2.gz PVAJQRWXEUIWSA-INIZCTEOSA-N 0 1 377.282 3.460 20 0 GGADMN Cc1ccc(Br)c(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000186734603 565281620 /nfs/dbraw/zinc/28/16/20/565281620.db2.gz PGSUFBQYWGVPHG-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1ccc(Br)c(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000186734627 565281740 /nfs/dbraw/zinc/28/17/40/565281740.db2.gz SAGRCZKEBLTYIG-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[nH]1 ZINC000295733062 565283512 /nfs/dbraw/zinc/28/35/12/565283512.db2.gz YPVSMYVUADWYJB-UHFFFAOYSA-N 0 1 391.444 3.087 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 ZINC000295733062 565283518 /nfs/dbraw/zinc/28/35/18/565283518.db2.gz YPVSMYVUADWYJB-UHFFFAOYSA-N 0 1 391.444 3.087 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n[nH]1 ZINC000295737497 565283801 /nfs/dbraw/zinc/28/38/01/565283801.db2.gz NBJXUHNKQGZUHL-UHFFFAOYSA-N 0 1 379.251 3.351 20 0 GGADMN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1sccc1Br ZINC000186777987 565284751 /nfs/dbraw/zinc/28/47/51/565284751.db2.gz HEBPJMCVKNAOLK-LLVKDONJSA-N 0 1 381.361 3.053 20 0 GGADMN CC(C)(C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757391 565284805 /nfs/dbraw/zinc/28/48/05/565284805.db2.gz XSDZTZOQKMDDFT-CZUORRHYSA-N 0 1 383.330 3.096 20 0 GGADMN CC(C)(C[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757391 565284811 /nfs/dbraw/zinc/28/48/11/565284811.db2.gz XSDZTZOQKMDDFT-CZUORRHYSA-N 0 1 383.330 3.096 20 0 GGADMN CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)CCSc2ccccc2)CC1 ZINC000295779541 565287227 /nfs/dbraw/zinc/28/72/27/565287227.db2.gz ZAIIQDRZRRWCCJ-LMKMVOKYSA-N 0 1 383.579 3.334 20 0 GGADMN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CC[C@H](N2CCCC2)C1 ZINC000373481411 565287273 /nfs/dbraw/zinc/28/72/73/565287273.db2.gz DTPPJGUNPZYCBE-ZDUSSCGKSA-N 0 1 376.551 3.268 20 0 GGADMN O=C(CCCN1CCCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1 ZINC000295817753 565288101 /nfs/dbraw/zinc/28/81/01/565288101.db2.gz UYHHGWFIXAQLRT-UHFFFAOYSA-N 0 1 393.325 3.356 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000161595374 565288803 /nfs/dbraw/zinc/28/88/03/565288803.db2.gz HVSAANNTZCHURZ-UHFFFAOYSA-N 0 1 390.280 3.391 20 0 GGADMN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000295833796 565289214 /nfs/dbraw/zinc/28/92/14/565289214.db2.gz CWGJPJCVLWXNPZ-LRDDRELGSA-N 0 1 384.933 3.266 20 0 GGADMN O=C(NCC1(c2ccccc2Br)CC1)[C@H]1Cc2ccccc2CN1 ZINC000161669097 565290393 /nfs/dbraw/zinc/29/03/93/565290393.db2.gz GYEPNGGLPPATFD-GOSISDBHSA-N 0 1 385.305 3.311 20 0 GGADMN CC(C)c1nc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)n[nH]1 ZINC000295894575 565291961 /nfs/dbraw/zinc/29/19/61/565291961.db2.gz YUKBGNQNQPHDAZ-UHFFFAOYSA-N 0 1 377.286 3.429 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000161770423 565292410 /nfs/dbraw/zinc/29/24/10/565292410.db2.gz FYQKTBMHFZGIRR-CQSZACIVSA-N 0 1 382.507 3.304 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000186885468 565293043 /nfs/dbraw/zinc/29/30/43/565293043.db2.gz HDBLWMYVIQETSJ-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000186878006 565293088 /nfs/dbraw/zinc/29/30/88/565293088.db2.gz AETWWOLHPWKZCQ-CYBMUJFWSA-N 0 1 382.835 3.218 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000161757257 565293332 /nfs/dbraw/zinc/29/33/32/565293332.db2.gz XKDQLEVUZWYJLI-CYBMUJFWSA-N 0 1 386.470 3.135 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000186899972 565293811 /nfs/dbraw/zinc/29/38/11/565293811.db2.gz QSWDGLXILUIIPA-NSHDSACASA-N 0 1 378.822 3.276 20 0 GGADMN NC(=O)[C@H](NCCCn1cnc2ccccc21)c1cccc(Br)c1 ZINC000161837516 565293891 /nfs/dbraw/zinc/29/38/91/565293891.db2.gz UOQVVYOAFXLTNN-QGZVFWFLSA-N 0 1 387.281 3.005 20 0 GGADMN CC(C)(NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1F ZINC000186892622 565294003 /nfs/dbraw/zinc/29/40/03/565294003.db2.gz JFALRFGURXJRJX-INIZCTEOSA-N 0 1 385.888 3.441 20 0 GGADMN COc1c(Br)cccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000186938258 565296243 /nfs/dbraw/zinc/29/62/43/565296243.db2.gz JWMHMNXSCCSCHL-AWEZNQCLSA-N 0 1 391.313 3.375 20 0 GGADMN Cc1c(Br)cccc1CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272819352 565297765 /nfs/dbraw/zinc/29/77/65/565297765.db2.gz IOQDRICRIVFYTG-LBPRGKRZSA-N 0 1 383.311 3.256 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000272818284 565297831 /nfs/dbraw/zinc/29/78/31/565297831.db2.gz FJJGBNDORSZOHW-UHFFFAOYSA-N 0 1 384.299 3.049 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)[nH]1 ZINC000373703076 565298448 /nfs/dbraw/zinc/29/84/48/565298448.db2.gz SEMWIGUFTLZBPO-RKDXNWHRSA-N 0 1 387.328 3.092 20 0 GGADMN CC[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(Cl)c1F ZINC000161942221 565298627 /nfs/dbraw/zinc/29/86/27/565298627.db2.gz INCAYLCWZIFDIH-SMDDNHRTSA-N 0 1 391.917 3.416 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Br)ccc1Cl ZINC000186974195 565298851 /nfs/dbraw/zinc/29/88/51/565298851.db2.gz HRUZZPLZSFKDIQ-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN CC[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc(Cl)c1F ZINC000161942476 565298934 /nfs/dbraw/zinc/29/89/34/565298934.db2.gz INCAYLCWZIFDIH-BXUZGUMPSA-N 0 1 391.917 3.416 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cc(Br)cs3)no2)[C@H]2CCO[C@@H]21 ZINC000296056659 565299367 /nfs/dbraw/zinc/29/93/67/565299367.db2.gz GBOOZPFSMBVKQH-WQAKAFBOSA-N 0 1 384.299 3.464 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccccc3Br)o2)[C@H]2CCO[C@@H]21 ZINC000296056457 565299504 /nfs/dbraw/zinc/29/95/04/565299504.db2.gz FZJDKJTWLNCTQS-DFBGVHRSSA-N 0 1 378.270 3.402 20 0 GGADMN NC(=O)[C@H](NC1CCN(c2ccccc2)CC1)c1cccc(Br)c1 ZINC000161983295 565300514 /nfs/dbraw/zinc/30/05/14/565300514.db2.gz LQCHLIGOWBSHDE-GOSISDBHSA-N 0 1 388.309 3.234 20 0 GGADMN CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC000296119341 565303445 /nfs/dbraw/zinc/30/34/45/565303445.db2.gz YJAWCBZHEYPJIT-UHFFFAOYSA-N 0 1 387.429 3.047 20 0 GGADMN Brc1ccc(-c2nnc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)o2)o1 ZINC000296163434 565305427 /nfs/dbraw/zinc/30/54/27/565305427.db2.gz KQQLAEBWPUXIIK-CUOATXAZSA-N 0 1 380.242 3.139 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)Nc3nc(COC)ns3)cc2s1 ZINC000273052093 565305707 /nfs/dbraw/zinc/30/57/07/565305707.db2.gz GJLKTFLHWZXPFV-UHFFFAOYSA-N 0 1 383.524 3.454 20 0 GGADMN Brc1ccc(-c2nnc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)o2)o1 ZINC000296163437 565305896 /nfs/dbraw/zinc/30/58/96/565305896.db2.gz KQQLAEBWPUXIIK-FZQKWOKYSA-N 0 1 380.242 3.139 20 0 GGADMN Cn1c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2nc1C1CC1 ZINC000162138482 565306022 /nfs/dbraw/zinc/30/60/22/565306022.db2.gz IXBZXFVLLZNMCC-UHFFFAOYSA-N 0 1 377.520 3.322 20 0 GGADMN C[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1nnnn1-c1ccccc1 ZINC000162135983 565306575 /nfs/dbraw/zinc/30/65/75/565306575.db2.gz NGAAHRUCUXSYQW-NSHDSACASA-N 0 1 398.268 3.152 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000187062303 565306605 /nfs/dbraw/zinc/30/66/05/565306605.db2.gz YSCHDWJIHAGJPY-UHFFFAOYSA-N 0 1 381.687 3.059 20 0 GGADMN COc1cc(CCN[C@@H](C(N)=O)c2cccc(Br)c2)ccc1C ZINC000162153357 565306868 /nfs/dbraw/zinc/30/68/68/565306868.db2.gz WXHRXWIYISTNEC-QGZVFWFLSA-N 0 1 377.282 3.125 20 0 GGADMN COc1cccc(O[C@@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162171946 565307111 /nfs/dbraw/zinc/30/71/11/565307111.db2.gz RRMOBQRCSMVQBA-SJCJKPOMSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1ccccc1F ZINC000162174055 565307233 /nfs/dbraw/zinc/30/72/33/565307233.db2.gz SFNDISQHWRDOCE-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN COc1cc(C)c(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1F ZINC000187067043 565307266 /nfs/dbraw/zinc/30/72/66/565307266.db2.gz MXOARBOCJGDCKJ-UHFFFAOYSA-N 0 1 384.816 3.092 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1ccc(F)cc1 ZINC000162174678 565307721 /nfs/dbraw/zinc/30/77/21/565307721.db2.gz DAHSKGONXLQYJD-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN COc1ccccc1O[C@@H](C)CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162176865 565308034 /nfs/dbraw/zinc/30/80/34/565308034.db2.gz BYEBOKONYPDHNM-YVEFUNNKSA-N 0 1 393.281 3.041 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1(C)C ZINC000296264554 565309668 /nfs/dbraw/zinc/30/96/68/565309668.db2.gz YLYFTCHHVKYCHX-CQSZACIVSA-N 0 1 389.359 3.216 20 0 GGADMN C[C@H](C[S@](C)=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000273175226 565310601 /nfs/dbraw/zinc/31/06/01/565310601.db2.gz CWZXKODMYOORNF-DDVPAQIKSA-N 0 1 399.965 3.190 20 0 GGADMN Cc1ccc(OCCC(=O)NCc2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000296306299 565311003 /nfs/dbraw/zinc/31/10/03/565311003.db2.gz YKYQVACYGGCGBS-UHFFFAOYSA-N 0 1 381.274 3.084 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1cn2ccccc2n1 ZINC000187114714 565311049 /nfs/dbraw/zinc/31/10/49/565311049.db2.gz VTPCCWYDFWXIDZ-UHFFFAOYSA-N 0 1 377.897 3.114 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCCc2nc(Cl)ccc21)CCc1ccccc1 ZINC000296292493 565311430 /nfs/dbraw/zinc/31/14/30/565311430.db2.gz DELXAJVQJBVFDA-QGZVFWFLSA-N 0 1 378.925 3.360 20 0 GGADMN COc1c(Br)cccc1CNCc1ccc(Cn2cncn2)cc1 ZINC000187112533 565311623 /nfs/dbraw/zinc/31/16/23/565311623.db2.gz SKYDKCGCXFRNQI-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN COc1c(Br)cccc1CNC[C@H](O)COc1cccc(C)c1 ZINC000187161849 565313249 /nfs/dbraw/zinc/31/32/49/565313249.db2.gz RFDGBBHWAKOWNU-HNNXBMFYSA-N 0 1 380.282 3.296 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCN1CCc2sccc2C1 ZINC000187157096 565313580 /nfs/dbraw/zinc/31/35/80/565313580.db2.gz OXSKBDYIOLHMKG-UHFFFAOYSA-N 0 1 398.981 3.343 20 0 GGADMN C[C@H](O)CC(C)(C)CNCc1ncc(Br)cc1Br ZINC000273250799 565314386 /nfs/dbraw/zinc/31/43/86/565314386.db2.gz WARMZWHVGIQQGQ-VIFPVBQESA-N 0 1 380.124 3.493 20 0 GGADMN Cc1cc([C@@H](NC[C@@]2(O)CCS(=O)(=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000296363642 565314780 /nfs/dbraw/zinc/31/47/80/565314780.db2.gz IVFCAHXRAHKVON-ROUUACIJSA-N 0 1 399.965 3.247 20 0 GGADMN CN(C)C(=O)[C@H](c1ccccc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000374010750 565314806 /nfs/dbraw/zinc/31/48/06/565314806.db2.gz RPXMMZAAKYANLA-KRWDZBQOSA-N 0 1 391.313 3.112 20 0 GGADMN COc1cc(Br)cc(C)c1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000296370987 565314840 /nfs/dbraw/zinc/31/48/40/565314840.db2.gz OIIJEBVDSKBGBN-UHFFFAOYSA-N 0 1 382.262 3.329 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000374010307 565315192 /nfs/dbraw/zinc/31/51/92/565315192.db2.gz NZOUKAHPDJYPMZ-ZDUSSCGKSA-N 0 1 377.286 3.310 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1cccs1 ZINC000187188385 565315960 /nfs/dbraw/zinc/31/59/60/565315960.db2.gz CZOFVDLXPUUNFB-HNNXBMFYSA-N 0 1 375.885 3.015 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)CCOc2ccc(Br)cc2F)n[nH]1 ZINC000162402743 565316690 /nfs/dbraw/zinc/31/66/90/565316690.db2.gz JKZNXEKXNAJNJZ-JTQLQIEISA-N 0 1 384.249 3.136 20 0 GGADMN COc1c(Br)cccc1CNCCNC(=O)c1c(F)cccc1F ZINC000187236755 565318146 /nfs/dbraw/zinc/31/81/46/565318146.db2.gz ZSKUACRTQRARGW-UHFFFAOYSA-N 0 1 399.235 3.256 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(Br)c(F)c3)n2)o1 ZINC000162490122 565318173 /nfs/dbraw/zinc/31/81/73/565318173.db2.gz RRRRRTRAASYZQF-UHFFFAOYSA-N 0 1 379.189 3.456 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000187229804 565318286 /nfs/dbraw/zinc/31/82/86/565318286.db2.gz LJRFKROFHXWDFC-GOSISDBHSA-N 0 1 392.297 3.464 20 0 GGADMN O=S(=O)(NCCN[C@@H]1CCSc2c(Cl)cccc21)c1ccccc1 ZINC000162494741 565318750 /nfs/dbraw/zinc/31/87/50/565318750.db2.gz CWXSMJINXIFJBX-MRXNPFEDSA-N 0 1 382.938 3.445 20 0 GGADMN O=C(Cc1noc(-c2ccc(Br)cc2O)n1)NC1CCCCC1 ZINC000273396999 565318939 /nfs/dbraw/zinc/31/89/39/565318939.db2.gz JNZFOVSSERDTQZ-UHFFFAOYSA-N 0 1 380.242 3.196 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1Br ZINC000374100388 565319443 /nfs/dbraw/zinc/31/94/43/565319443.db2.gz SUIOBMJTJRBBDM-CDGCEXEKSA-N 0 1 384.318 3.136 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(CC(=O)NC2CCOCC2)CC1 ZINC000374137862 565321842 /nfs/dbraw/zinc/32/18/42/565321842.db2.gz KIEVJPYKPQKVLR-UHFFFAOYSA-N 0 1 395.341 3.098 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ncc(Br)cc1F ZINC000187294308 565321852 /nfs/dbraw/zinc/32/18/52/565321852.db2.gz DIAHUUMZZBDLNA-CMPLNLGQSA-N 0 1 383.240 3.447 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273469204 565322823 /nfs/dbraw/zinc/32/28/23/565322823.db2.gz FIWNMBPOTANGJS-CHWSQXEVSA-N 0 1 399.538 3.437 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000162635598 565323363 /nfs/dbraw/zinc/32/33/63/565323363.db2.gz QIECNIUIALAEOQ-JKSUJKDBSA-N 0 1 395.341 3.123 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)CN[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000273498745 565323530 /nfs/dbraw/zinc/32/35/30/565323530.db2.gz LZFXHUJKPCUASO-ZDUSSCGKSA-N 0 1 387.933 3.179 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)CN[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000273498742 565323778 /nfs/dbraw/zinc/32/37/78/565323778.db2.gz LZFXHUJKPCUASO-CYBMUJFWSA-N 0 1 387.933 3.179 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNC[C@H]1CCN(c2ccccc2)C1 ZINC000273499193 565324212 /nfs/dbraw/zinc/32/42/12/565324212.db2.gz YHYVOEIIRCZOSK-OAHLLOKOSA-N 0 1 378.925 3.360 20 0 GGADMN CC[C@@H](NCC(=O)N[C@H](C(=O)NC)c1ccccc1)c1ccc(Cl)s1 ZINC000273553303 565324924 /nfs/dbraw/zinc/32/49/24/565324924.db2.gz XTYONCLXODHUHW-DYVFJYSZSA-N 0 1 379.913 3.046 20 0 GGADMN Cn1ccnc1C[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187367892 565327938 /nfs/dbraw/zinc/32/79/38/565327938.db2.gz LDTPELHIKRMHNA-GUYCJALGSA-N 0 1 396.304 3.310 20 0 GGADMN CCC(CC)(CNCc1cccc(Cl)c1S(=O)(=O)CC)C(=O)OC ZINC000187369008 565328093 /nfs/dbraw/zinc/32/80/93/565328093.db2.gz GSNQLZWGTWCNJU-UHFFFAOYSA-N 0 1 375.918 3.203 20 0 GGADMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ncc(C4CCOCC4)s3)ccc2O1 ZINC000296670066 565328563 /nfs/dbraw/zinc/32/85/63/565328563.db2.gz GSCDYBAEYCOWIC-LLVKDONJSA-N 0 1 380.491 3.161 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCCC23CCN(C)CC3)c(Br)c1 ZINC000374294037 565330489 /nfs/dbraw/zinc/33/04/89/565330489.db2.gz JDHLHQJGAXKTSP-UHFFFAOYSA-N 0 1 387.343 3.006 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)cc1Cl ZINC000296718764 565332610 /nfs/dbraw/zinc/33/26/10/565332610.db2.gz MUJHHVGYASBJTK-UHFFFAOYSA-N 0 1 388.898 3.500 20 0 GGADMN COCCC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000162982435 565333427 /nfs/dbraw/zinc/33/34/27/565333427.db2.gz MESXLSCTVIGTBB-UHFFFAOYSA-N 0 1 398.269 3.212 20 0 GGADMN C[C@@H]1CSCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187454275 565333856 /nfs/dbraw/zinc/33/38/56/565333856.db2.gz MAYGTDJZHUGTGD-DOMZBBRYSA-N 0 1 375.460 3.455 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000187451303 565333862 /nfs/dbraw/zinc/33/38/62/565333862.db2.gz ZQLOYJXWORNBCZ-HUUCEWRRSA-N 0 1 375.460 3.455 20 0 GGADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000163057052 565334770 /nfs/dbraw/zinc/33/47/70/565334770.db2.gz 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O=C(c1c[nH]c2ccccc2c1=O)N1CCOc2ccc(Br)cc2C1 ZINC000374792144 565355812 /nfs/dbraw/zinc/35/58/12/565355812.db2.gz JBVRQVJAFLGMMU-UHFFFAOYSA-N 0 1 399.244 3.325 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)CCc3cc(Cl)cc(Cl)c3)CCO2)n[nH]1 ZINC000164081614 565355994 /nfs/dbraw/zinc/35/59/94/565355994.db2.gz XITROGSSCCIBHQ-CQSZACIVSA-N 0 1 383.279 3.207 20 0 GGADMN C[C@H](NCCN1CCN(c2ncccn2)CC1)c1cc(Cl)sc1Cl ZINC000164267430 565358000 /nfs/dbraw/zinc/35/80/00/565358000.db2.gz FEHCXRGPDVCHOU-LBPRGKRZSA-N 0 1 386.352 3.318 20 0 GGADMN Cc1csc([C@@H](NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)C(F)(F)F)n1 ZINC000297161921 565358800 /nfs/dbraw/zinc/35/88/00/565358800.db2.gz SQEZEZMJYRFJMS-DTWKUNHWSA-N 0 1 376.408 3.357 20 0 GGADMN CC(C)c1nc(CNC(=O)NC2(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000297161423 565358991 /nfs/dbraw/zinc/35/89/91/565358991.db2.gz JIBGTYLCJATZFS-UHFFFAOYSA-N 0 1 378.274 3.179 20 0 GGADMN O=C(NCCCc1ccc(Br)cc1F)NCc1n[nH]c(C2CC2)n1 ZINC000297153231 565359071 /nfs/dbraw/zinc/35/90/71/565359071.db2.gz 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MDBSNZNXBLIPLT-UHFFFAOYSA-N 0 1 390.328 3.110 20 0 GGADMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCSC2(CCOCC2)C1 ZINC000375224823 565376174 /nfs/dbraw/zinc/37/61/74/565376174.db2.gz YCKCTKWGNINVLD-UHFFFAOYSA-N 0 1 377.897 3.468 20 0 GGADMN CC1([C@H]2CCCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C2)OCCO1 ZINC000188082321 565376775 /nfs/dbraw/zinc/37/67/75/565376775.db2.gz WLMNFCKNBCIJCQ-NSHDSACASA-N 0 1 381.885 3.407 20 0 GGADMN CCc1nc(CNC(=O)N(Cc2ccc(Br)cc2)C(C)C)n[nH]1 ZINC000297604278 565378754 /nfs/dbraw/zinc/37/87/54/565378754.db2.gz WDQBMOOSGWKQFO-UHFFFAOYSA-N 0 1 380.290 3.250 20 0 GGADMN COC(=O)[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000188120371 565380198 /nfs/dbraw/zinc/38/01/98/565380198.db2.gz ZZPOYNVXZSFZRE-LRDDRELGSA-N 0 1 380.282 3.356 20 0 GGADMN O=C1NCCN1[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000375309227 565380567 /nfs/dbraw/zinc/38/05/67/565380567.db2.gz LOALJUMOFWSWNW-HNNXBMFYSA-N 0 1 376.913 3.453 20 0 GGADMN CN1C(=O)CCc2cc(CN[C@@H](CO)c3ccc(Br)cc3)ccc21 ZINC000274775721 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20 0 GGADMN O=C(CSC[C@@H]1CCCCO1)Nc1cccc(CN2CCSCC2)c1 ZINC000170772289 565392029 /nfs/dbraw/zinc/39/20/29/565392029.db2.gz ZZQIKLIPUGMWFO-SFHVURJKSA-N 0 1 380.579 3.476 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000297923929 565392664 /nfs/dbraw/zinc/39/26/64/565392664.db2.gz JDVURJHGKFBNKA-MQMHXKEQSA-N 0 1 390.285 3.190 20 0 GGADMN O=C(CN[C@@H](c1ccc(Br)cc1Cl)C1CC1)N1CCOCC1 ZINC000188307377 565394052 /nfs/dbraw/zinc/39/40/52/565394052.db2.gz WULPHDLDIXCTEA-MRXNPFEDSA-N 0 1 387.705 3.002 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000188326007 565395489 /nfs/dbraw/zinc/39/54/89/565395489.db2.gz FPFMDLBLXYXIPQ-UHFFFAOYSA-N 0 1 376.503 3.445 20 0 GGADMN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000275145505 565395642 /nfs/dbraw/zinc/39/56/42/565395642.db2.gz UAAMVPRVMJNWJR-ZETCQYMHSA-N 0 1 381.763 3.015 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(Cc3nc4ccc(Br)cc4n3C)C2)n1 ZINC000275169986 565395948 /nfs/dbraw/zinc/39/59/48/565395948.db2.gz 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C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN[C@H](C)C1 ZINC000188382053 565398931 /nfs/dbraw/zinc/39/89/31/565398931.db2.gz XNNCECCDVPBXSS-CHWSQXEVSA-N 0 1 379.913 3.437 20 0 GGADMN Cc1cc(I)ccc1NC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000275252862 565398976 /nfs/dbraw/zinc/39/89/76/565398976.db2.gz GTMBXPBTRWOUFY-JTQLQIEISA-N 0 1 397.216 3.079 20 0 GGADMN C[C@@H](Sc1ccc(Cl)nn1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298108245 565399457 /nfs/dbraw/zinc/39/94/57/565399457.db2.gz WYYPTXWVBLDJRO-HIFRSBDPSA-N 0 1 376.913 3.001 20 0 GGADMN C[C@@H](Sc1ccc(Cl)nn1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298108247 565399537 /nfs/dbraw/zinc/39/95/37/565399537.db2.gz WYYPTXWVBLDJRO-UKRRQHHQSA-N 0 1 376.913 3.001 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(O)(C(F)(F)F)CC1 ZINC000275266155 565400715 /nfs/dbraw/zinc/40/07/15/565400715.db2.gz AXUSXZMHWYCFBE-UHFFFAOYSA-N 0 1 379.791 3.321 20 0 GGADMN O=C1Nc2ccccc2CC[C@@H]1N[C@@H](CO)c1ccc(Br)cc1 ZINC000298136328 565400963 /nfs/dbraw/zinc/40/09/63/565400963.db2.gz 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ZINC000188545423 565408361 /nfs/dbraw/zinc/40/83/61/565408361.db2.gz VDNOLTFLNJRXAP-UHFFFAOYSA-N 0 1 384.318 3.416 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(Br)cn3)C1)CCCC2 ZINC000275394029 565408401 /nfs/dbraw/zinc/40/84/01/565408401.db2.gz QZZARPQNQYGIJE-AWEZNQCLSA-N 0 1 389.297 3.315 20 0 GGADMN O=S(=O)(Cc1ccccc1F)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000171095145 565409304 /nfs/dbraw/zinc/40/93/04/565409304.db2.gz SAHRMXGISIDGKT-OAHLLOKOSA-N 0 1 382.526 3.219 20 0 GGADMN O=C(CC[N@H+](CCCO)Cc1ccccn1)Nc1ccccc1Br ZINC000298371155 565410539 /nfs/dbraw/zinc/41/05/39/565410539.db2.gz CWCCWTXDJPDWGU-UHFFFAOYSA-N 0 1 392.297 3.057 20 0 GGADMN O=S(=O)(CCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC000298374416 565410990 /nfs/dbraw/zinc/41/09/90/565410990.db2.gz DCJDCHSZTNEVSV-RBUKOAKNSA-N 0 1 379.909 3.375 20 0 GGADMN C[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000171118599 565411065 /nfs/dbraw/zinc/41/10/65/565411065.db2.gz GSNHLUPOAQOWQZ-LBPRGKRZSA-N 0 1 376.254 3.448 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000298424466 565413090 /nfs/dbraw/zinc/41/30/90/565413090.db2.gz RZXHOZMTDAHZHL-AWEZNQCLSA-N 0 1 396.264 3.389 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(Br)c2Cl)CCN1CC(C)(C)O ZINC000188636391 565413875 /nfs/dbraw/zinc/41/38/75/565413875.db2.gz LDOGNFCGOSSSCO-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccncc3Br)C1)CCCC2 ZINC000275491515 565414393 /nfs/dbraw/zinc/41/43/93/565414393.db2.gz ZPMDGXLYNOWKMH-CYBMUJFWSA-N 0 1 389.297 3.315 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000375938139 565414440 /nfs/dbraw/zinc/41/44/40/565414440.db2.gz OLUVZMMFXWLQPM-UHFFFAOYSA-N 0 1 378.270 3.266 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccsc1 ZINC000298453726 565414656 /nfs/dbraw/zinc/41/46/56/565414656.db2.gz IRFBPRVXEIFTQR-CQSZACIVSA-N 0 1 376.507 3.217 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CCN1CC(C)(C)O ZINC000188641180 565414788 /nfs/dbraw/zinc/41/47/88/565414788.db2.gz CGEPGDSVLBQQEV-LLVKDONJSA-N 0 1 378.822 3.276 20 0 GGADMN CC[C@@]1(C)CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCO1 ZINC000188701689 565417907 /nfs/dbraw/zinc/41/79/07/565417907.db2.gz BQQWOORZDJSWST-KRWDZBQOSA-N 0 1 378.270 3.480 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(N)nc(Cl)c1 ZINC000171208167 565418122 /nfs/dbraw/zinc/41/81/22/565418122.db2.gz FEWMZIBDQPSHNP-UHFFFAOYSA-N 0 1 376.913 3.427 20 0 GGADMN CN(Cc1ccco1)C(=O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000298517107 565418170 /nfs/dbraw/zinc/41/81/70/565418170.db2.gz LASIIIKUKJHGTQ-QGZVFWFLSA-N 0 1 378.270 3.136 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1cc2c(cc1Br)CCC2 ZINC000298514218 565418300 /nfs/dbraw/zinc/41/83/00/565418300.db2.gz SOEVWQYWHBDPEP-UHFFFAOYSA-N 0 1 376.258 3.255 20 0 GGADMN CC(C)c1nc(CNC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)n[nH]1 ZINC000298520997 565418446 /nfs/dbraw/zinc/41/84/46/565418446.db2.gz SXNNDHFVGAYRNU-UHFFFAOYSA-N 0 1 379.877 3.365 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(OC)ccc1Br ZINC000275632462 565420650 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CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000376168825 565425056 /nfs/dbraw/zinc/42/50/56/565425056.db2.gz WEIBCRBGMGNMES-UHFFFAOYSA-N 0 1 382.873 3.022 20 0 GGADMN CS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCCC3)C2)c(C(F)(F)F)c1 ZINC000376155727 565425324 /nfs/dbraw/zinc/42/53/24/565425324.db2.gz FOAKODWRZGDYBD-CYBMUJFWSA-N 0 1 376.444 3.174 20 0 GGADMN O=C(CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)Nc1ccc(F)cc1 ZINC000188817469 565425523 /nfs/dbraw/zinc/42/55/23/565425523.db2.gz VGVDDYVVBOMHDS-UHFFFAOYSA-N 0 1 378.816 3.299 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ncc(Br)s1 ZINC000188847326 565428013 /nfs/dbraw/zinc/42/80/13/565428013.db2.gz UTQGNWHCXSUJJX-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc3cccc(Br)c3n2)C1(C)C ZINC000275846122 565429200 /nfs/dbraw/zinc/42/92/00/565429200.db2.gz WGYJPNFSLNPNCJ-ACJLOTCBSA-N 0 1 392.297 3.468 20 0 GGADMN Cc1ncsc1CCC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000298818497 565429773 /nfs/dbraw/zinc/42/97/73/565429773.db2.gz AVXVXLWBNAWAOA-KRWDZBQOSA-N 0 1 375.563 3.118 20 0 GGADMN CCn1nccc1CNc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000188883305 565429957 /nfs/dbraw/zinc/42/99/57/565429957.db2.gz BOEGFBRGDKCJQL-UHFFFAOYSA-N 0 1 392.345 3.025 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1ccc(Br)cc1Cl ZINC000298808239 565430181 /nfs/dbraw/zinc/43/01/81/565430181.db2.gz REHCFOAJBILJFP-UHFFFAOYSA-N 0 1 386.721 3.069 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2nnc(-c3ccccc3Cl)s2)C1(C)C ZINC000275867029 565430402 /nfs/dbraw/zinc/43/04/02/565430402.db2.gz ZKFAULCHOFAILL-YVEFUNNKSA-N 0 1 380.901 3.330 20 0 GGADMN CCC[C@H](NCc1cccc(S(=O)(=O)NCCOC)c1)c1ccsc1 ZINC000276001474 565432682 /nfs/dbraw/zinc/43/26/82/565432682.db2.gz AOXXULAFMGEUCO-SFHVURJKSA-N 0 1 382.551 3.304 20 0 GGADMN Cc1[nH]ncc1C(=O)Nc1nc2ccc(I)cc2s1 ZINC000188957539 565434908 /nfs/dbraw/zinc/43/49/08/565434908.db2.gz UKBKBMWEKYWMAV-UHFFFAOYSA-N 0 1 384.202 3.185 20 0 GGADMN CC(C)c1ccccc1S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000188991594 565436315 /nfs/dbraw/zinc/43/63/15/565436315.db2.gz OBUFMYWYMWKPSW-UHFFFAOYSA-N 0 1 389.445 3.293 20 0 GGADMN CC(C)N(Cc1cccc(Br)c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000376439066 565436610 /nfs/dbraw/zinc/43/66/10/565436610.db2.gz AMPCPTGXMLVNEN-SFHVURJKSA-N 0 1 395.341 3.439 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2cccc(C)c2)cc1OC ZINC000189008891 565437441 /nfs/dbraw/zinc/43/74/41/565437441.db2.gz QGASHSYFGZHINW-INIZCTEOSA-N 0 1 394.309 3.468 20 0 GGADMN Cc1nc(CN2CCN(CCC(=O)Nc3ccc(Cl)cc3)CC2)cs1 ZINC000171615714 565439557 /nfs/dbraw/zinc/43/95/57/565439557.db2.gz PFVSCYOVXGIMGR-UHFFFAOYSA-N 0 1 378.929 3.251 20 0 GGADMN O=C1c2ccccc2CCN1CCNCc1ccc(F)cc1Br ZINC000189037087 565439850 /nfs/dbraw/zinc/43/98/50/565439850.db2.gz SNBBZNGVEZWUTA-UHFFFAOYSA-N 0 1 377.257 3.376 20 0 GGADMN C[C@H](c1ncc(Br)cn1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000376518756 565440333 /nfs/dbraw/zinc/44/03/33/565440333.db2.gz OBJWXBKEXOMTTK-ZYHUDNBSSA-N 0 1 377.290 3.175 20 0 GGADMN C[C@H](c1ncc(Br)cn1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000376518756 565440337 /nfs/dbraw/zinc/44/03/37/565440337.db2.gz OBJWXBKEXOMTTK-ZYHUDNBSSA-N 0 1 377.290 3.175 20 0 GGADMN CC(C)OCCN1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000189062295 565440932 /nfs/dbraw/zinc/44/09/32/565440932.db2.gz AQPZSCPRVIXMAI-UHFFFAOYSA-N 0 1 389.309 3.010 20 0 GGADMN CSc1ccc([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1F ZINC000189157145 565447990 /nfs/dbraw/zinc/44/79/90/565447990.db2.gz HWDFNFQRJLZKOT-ZDUSSCGKSA-N 0 1 383.510 3.164 20 0 GGADMN COC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000171751518 565448536 /nfs/dbraw/zinc/44/85/36/565448536.db2.gz VJROKECIZYMYML-UHFFFAOYSA-N 0 1 398.278 3.356 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Br)c1 ZINC000189164755 565448929 /nfs/dbraw/zinc/44/89/29/565448929.db2.gz IDUSONVAHXZNFP-ZDUSSCGKSA-N 0 1 398.322 3.066 20 0 GGADMN C[C@H]1C[C@H](NCc2ccc(S(=O)(=O)CCO)cc2)c2ccsc2S1 ZINC000189164530 565449004 /nfs/dbraw/zinc/44/90/04/565449004.db2.gz 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/nfs/dbraw/zinc/45/88/16/565458816.db2.gz UKPPKMLXCYQLPE-LLVKDONJSA-N 0 1 384.249 3.136 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1Br ZINC000299676365 565458860 /nfs/dbraw/zinc/45/88/60/565458860.db2.gz QHCFEIUKBGWSPF-CYBMUJFWSA-N 0 1 380.286 3.305 20 0 GGADMN OC1(C(F)(F)F)CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000299677336 565459082 /nfs/dbraw/zinc/45/90/82/565459082.db2.gz MRUIFHJJULWBLT-UHFFFAOYSA-N 0 1 375.778 3.322 20 0 GGADMN O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000299678232 565459293 /nfs/dbraw/zinc/45/92/93/565459293.db2.gz VHHSBQWGKPYWPT-UHFFFAOYSA-N 0 1 388.309 3.167 20 0 GGADMN O=C(Nc1ccsc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000189320399 565459436 /nfs/dbraw/zinc/45/94/36/565459436.db2.gz PKOYLFPHMDJQAN-GDBMZVCRSA-N 0 1 379.913 3.406 20 0 GGADMN COCc1nc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cs1 ZINC000299723145 565460057 /nfs/dbraw/zinc/46/00/57/565460057.db2.gz XVAPGLBUAMSDMP-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN CC(C)Cn1ccnc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 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Cn1cc(-c2ncc(CNC3(c4ccc(Br)cc4)CC3)cn2)cn1 ZINC000377074385 565465088 /nfs/dbraw/zinc/46/50/88/565465088.db2.gz STCJPGKYLXREII-UHFFFAOYSA-N 0 1 384.281 3.419 20 0 GGADMN CCN(CCC(=O)Nc1cccc(Br)c1)C[C@H](O)C(F)(F)F ZINC000189436947 565465231 /nfs/dbraw/zinc/46/52/31/565465231.db2.gz FKEQGWXWEDYWCF-LBPRGKRZSA-N 0 1 383.208 3.023 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000276928548 565466216 /nfs/dbraw/zinc/46/62/16/565466216.db2.gz SQIWRBJXLYMJQT-IUCAKERBSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000276928546 565466268 /nfs/dbraw/zinc/46/62/68/565466268.db2.gz SQIWRBJXLYMJQT-DTWKUNHWSA-N 0 1 384.267 3.441 20 0 GGADMN CCOc1c(Br)cc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1OC ZINC000276921620 565466304 /nfs/dbraw/zinc/46/63/04/565466304.db2.gz ABDPLDSJBHXKEI-UHFFFAOYSA-N 0 1 384.226 3.437 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ncc(Br)s1 ZINC000189447319 565466505 /nfs/dbraw/zinc/46/65/05/565466505.db2.gz UCVPMIMLCPPXKR-UHFFFAOYSA-N 0 1 381.255 3.078 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cccc(Cl)c1Br ZINC000276975992 565470086 /nfs/dbraw/zinc/47/00/86/565470086.db2.gz XOARFQZEUBHJJA-UHFFFAOYSA-N 0 1 393.734 3.008 20 0 GGADMN O=C(CN1CCN(C2CCC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000172175107 565470421 /nfs/dbraw/zinc/47/04/21/565470421.db2.gz IAGJHYNAFCDBSD-UHFFFAOYSA-N 0 1 375.822 3.467 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000276996809 565470515 /nfs/dbraw/zinc/47/05/15/565470515.db2.gz TXNYAKLLRFSUCA-VHSXEESVSA-N 0 1 387.303 3.120 20 0 GGADMN CN(C)C(=O)C1(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCCC1 ZINC000189528983 565471777 /nfs/dbraw/zinc/47/17/77/565471777.db2.gz LLUUYLXDOPIDEN-UHFFFAOYSA-N 0 1 380.901 3.170 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000172235146 565473922 /nfs/dbraw/zinc/47/39/22/565473922.db2.gz QTDIPTLHMWQVDG-OAHLLOKOSA-N 0 1 377.535 3.218 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1sccc1Br ZINC000172246736 565474079 /nfs/dbraw/zinc/47/40/79/565474079.db2.gz MLQAXCBCDMHCGN-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(F)ccc1Br ZINC000172245896 565474179 /nfs/dbraw/zinc/47/41/79/565474179.db2.gz DJKRXAIRMLXYMB-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN COc1cc(Br)c(C[NH2+]Cc2ccccc2CC(=O)[O-])c(OC)c1 ZINC000277064404 565474355 /nfs/dbraw/zinc/47/43/55/565474355.db2.gz UPZKMTMHDBXNDT-UHFFFAOYSA-N 0 1 394.265 3.383 20 0 GGADMN CN(CCOCC(F)(F)C(F)(F)F)Cc1cc(Br)cn1C ZINC000189547908 565474385 /nfs/dbraw/zinc/47/43/85/565474385.db2.gz DSADODRNPAXYFQ-UHFFFAOYSA-N 0 1 379.167 3.434 20 0 GGADMN COCCOc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000277064312 565474682 /nfs/dbraw/zinc/47/46/82/565474682.db2.gz RQJFQPINGCWGPS-UHFFFAOYSA-N 0 1 383.897 3.059 20 0 GGADMN CCc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 ZINC000172248757 565474872 /nfs/dbraw/zinc/47/48/72/565474872.db2.gz SXDXHPQOWRJDOJ-UHFFFAOYSA-N 0 1 378.460 3.037 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC(c3ccccc3Br)CC2)[nH]1 ZINC000189577146 565475466 /nfs/dbraw/zinc/47/54/66/565475466.db2.gz GDFXUMHIUJPBMN-UHFFFAOYSA-N 0 1 395.326 3.374 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC(c3ccccc3Br)CC2)n1 ZINC000189577146 565475470 /nfs/dbraw/zinc/47/54/70/565475470.db2.gz GDFXUMHIUJPBMN-UHFFFAOYSA-N 0 1 395.326 3.374 20 0 GGADMN COc1ccc(Br)cc1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000301313071 565477473 /nfs/dbraw/zinc/47/74/73/565477473.db2.gz CBGKSJILHMDKSI-GOSISDBHSA-N 0 1 394.309 3.467 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)n[nH]1 ZINC000277133577 565478396 /nfs/dbraw/zinc/47/83/96/565478396.db2.gz ZEMBVNOLNQNZBU-ZETCQYMHSA-N 0 1 388.230 3.190 20 0 GGADMN COCCO[C@@H]1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000189670815 565480756 /nfs/dbraw/zinc/48/07/56/565480756.db2.gz YWVNBYOQFWEGQJ-QGZVFWFLSA-N 0 1 392.297 3.143 20 0 GGADMN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189662884 565480926 /nfs/dbraw/zinc/48/09/26/565480926.db2.gz BCXQBWFMPZTEGB-LLVKDONJSA-N 0 1 393.877 3.050 20 0 GGADMN CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172356538 565481058 /nfs/dbraw/zinc/48/10/58/565481058.db2.gz UMVMAZOYCWPJCZ-UHFFFAOYSA-N 0 1 382.869 3.232 20 0 GGADMN O=C(Nc1ccccc1Br)N1CCN(CC2CCOCC2)CC1 ZINC000172397865 565483275 /nfs/dbraw/zinc/48/32/75/565483275.db2.gz HSCYQBAVCBWJBD-UHFFFAOYSA-N 0 1 382.302 3.025 20 0 GGADMN COCCNCC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000172429990 565484578 /nfs/dbraw/zinc/48/45/78/565484578.db2.gz RYCQPJZOUFYPBT-UHFFFAOYSA-N 0 1 393.281 3.203 20 0 GGADMN COc1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(Br)c1 ZINC000377546500 565485052 /nfs/dbraw/zinc/48/50/52/565485052.db2.gz AOLCELFHNSXOTI-YJBOKZPZSA-N 0 1 394.313 3.279 20 0 GGADMN CN1C(=O)N([C@H]2CCCc3cn[nH]c32)C(=O)[C@H]1c1cccc(Br)c1 ZINC000277264715 565485687 /nfs/dbraw/zinc/48/56/87/565485687.db2.gz IZOIEOICUFQBBS-DZGCQCFKSA-N 0 1 389.253 3.185 20 0 GGADMN NC(=O)c1cc(Cl)nnc1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000301452644 565487577 /nfs/dbraw/zinc/48/75/77/565487577.db2.gz UTPASJOJBCTZTO-AWEZNQCLSA-N 0 1 380.279 3.131 20 0 GGADMN Brc1cccc2c(N3CC[C@H](CN4CCOCC4)C3)ccnc12 ZINC000301471075 565488958 /nfs/dbraw/zinc/48/89/58/565488958.db2.gz SXSXLEISTYHMPQ-CQSZACIVSA-N 0 1 376.298 3.156 20 0 GGADMN Cc1cnn(C)c1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000377618353 565489753 /nfs/dbraw/zinc/48/97/53/565489753.db2.gz CIIFHDOKDUUJNV-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CCC[C@H](C)C1 ZINC000189853807 565492614 /nfs/dbraw/zinc/49/26/14/565492614.db2.gz WSZMMVRKARWLNV-KBPBESRZSA-N 0 1 378.460 3.190 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1ncsc1C(F)(F)F ZINC000277398668 565494285 /nfs/dbraw/zinc/49/42/85/565494285.db2.gz KTHDPVWZQVCUHI-UHFFFAOYSA-N 0 1 379.473 3.253 20 0 GGADMN O=S(=O)(N1CCC(Nc2ccnc3cc(F)ccc32)CC1)C(F)(F)F ZINC000301571913 565496279 /nfs/dbraw/zinc/49/62/79/565496279.db2.gz OTCRMYZJWUMIJJ-UHFFFAOYSA-N 0 1 377.363 3.100 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000172645843 565496618 /nfs/dbraw/zinc/49/66/18/565496618.db2.gz UAYGKARBXRCCRT-UHFFFAOYSA-N 0 1 388.225 3.027 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CCC(C)CC1 ZINC000189907108 565496816 /nfs/dbraw/zinc/49/68/16/565496816.db2.gz QVMWVKSPBUCPQB-AWEZNQCLSA-N 0 1 378.460 3.190 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000172645326 565496759 /nfs/dbraw/zinc/49/67/59/565496759.db2.gz OKOHVJUUQUBMSW-UHFFFAOYSA-N 0 1 391.225 3.011 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC[C@@H]2CCCS2)nc1 ZINC000301607999 565498705 /nfs/dbraw/zinc/49/87/05/565498705.db2.gz OGICSIASCWTOTA-AWEZNQCLSA-N 0 1 385.461 3.468 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000189967502 565499612 /nfs/dbraw/zinc/49/96/12/565499612.db2.gz FZOSFEZYADMPBZ-RHSMWYFYSA-N 0 1 375.296 3.088 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2c(Cl)cccc2Cl)C1(C)C ZINC000189977026 565500409 /nfs/dbraw/zinc/50/04/09/565500409.db2.gz CPFOYMRRCGSQPS-GUYCJALGSA-N 0 1 375.296 3.088 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2c(Cl)cccc2Cl)C1(C)C ZINC000189977066 565500464 /nfs/dbraw/zinc/50/04/64/565500464.db2.gz CPFOYMRRCGSQPS-SUMWQHHRSA-N 0 1 375.296 3.088 20 0 GGADMN Cn1ccnc1[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000377827641 565501657 /nfs/dbraw/zinc/50/16/57/565501657.db2.gz YNHJXLFNQUBEBK-CQSZACIVSA-N 0 1 392.297 3.333 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2cccc(Cl)c2Cl)C1(C)C ZINC000190010163 565501986 /nfs/dbraw/zinc/50/19/86/565501986.db2.gz ACLFSFDXFUJDIA-GUYCJALGSA-N 0 1 375.296 3.088 20 0 GGADMN CCN(CCCCOc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000172743773 565502930 /nfs/dbraw/zinc/50/29/30/565502930.db2.gz LHOVPOOPBZRAPB-AWEZNQCLSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1cc(Br)cnc1NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000301662713 565503208 /nfs/dbraw/zinc/50/32/08/565503208.db2.gz YIYFUVOHCPKYSD-UHFFFAOYSA-N 0 1 397.361 3.191 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCNc2cc(C)ccn2)c1 ZINC000301665812 565503275 /nfs/dbraw/zinc/50/32/75/565503275.db2.gz WNJJZKPBSVCYDJ-UHFFFAOYSA-N 0 1 378.270 3.393 20 0 GGADMN COc1cc(Br)c(CN2CC[C@H](c3nccn3C)C2)c(OC)c1 ZINC000377887291 565503906 /nfs/dbraw/zinc/50/39/06/565503906.db2.gz DXXNAZFCHRZAHH-LBPRGKRZSA-N 0 1 380.286 3.189 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000190042885 565504037 /nfs/dbraw/zinc/50/40/37/565504037.db2.gz QEQPTNAWAROBSV-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(Br)c1 ZINC000190042927 565504123 /nfs/dbraw/zinc/50/41/23/565504123.db2.gz BKPZNKPRZOLYTG-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)Nc2cc(F)cc(F)c2Br)c1 ZINC000190073523 565506855 /nfs/dbraw/zinc/50/68/55/565506855.db2.gz NGPLFIQYYGXOHF-UHFFFAOYSA-N 0 1 380.214 3.306 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1Br ZINC000190087051 565507358 /nfs/dbraw/zinc/50/73/58/565507358.db2.gz ZGECECPCPWUWGE-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1cc(NCCN(C)S(=O)(=O)c2cccs2)c2cc(F)ccc2n1 ZINC000301782910 565509181 /nfs/dbraw/zinc/50/91/81/565509181.db2.gz NSMZMGGDPUETJP-UHFFFAOYSA-N 0 1 379.482 3.476 20 0 GGADMN O=S(=O)(Cc1csc(-c2ccc(Br)cc2)n1)c1ncc[nH]1 ZINC000172880566 565509294 /nfs/dbraw/zinc/50/92/94/565509294.db2.gz AJBDMDYIJADWIS-UHFFFAOYSA-N 0 1 384.280 3.270 20 0 GGADMN CC(C)(O)CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)C1CC1 ZINC000190128179 565509567 /nfs/dbraw/zinc/50/95/67/565509567.db2.gz PYCVTAINBNISQP-UHFFFAOYSA-N 0 1 378.270 3.215 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000190134372 565510878 /nfs/dbraw/zinc/51/08/78/565510878.db2.gz FCBWYZITCHMYCB-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190134392 565511027 /nfs/dbraw/zinc/51/10/27/565511027.db2.gz FCBWYZITCHMYCB-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN O=C1[C@H](NCc2c[nH]c3nccnc23)CCN1c1ccc(Cl)cc1Cl ZINC000378127946 565513003 /nfs/dbraw/zinc/51/30/03/565513003.db2.gz GWLQYBMXZXGVEX-CYBMUJFWSA-N 0 1 376.247 3.111 20 0 GGADMN Cc1c(Br)cccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190167450 565514621 /nfs/dbraw/zinc/51/46/21/565514621.db2.gz FSIQKPSXBJGJOB-GFCCVEGCSA-N 0 1 384.318 3.066 20 0 GGADMN NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000190219472 565516346 /nfs/dbraw/zinc/51/63/46/565516346.db2.gz XFYGUMUWVOXNOT-UHFFFAOYSA-N 0 1 378.212 3.424 20 0 GGADMN COc1c(Br)cccc1CN(C)C[C@H](O)COCc1ccccc1 ZINC000172996262 565518051 /nfs/dbraw/zinc/51/80/51/565518051.db2.gz DQZHKRMSBIAZIR-KRWDZBQOSA-N 0 1 394.309 3.467 20 0 GGADMN CS(=O)(=O)[C@H]1CCCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000277772432 565518356 /nfs/dbraw/zinc/51/83/56/565518356.db2.gz NELLMXZKQVRTJT-ZDUSSCGKSA-N 0 1 393.336 3.221 20 0 GGADMN NC(=O)NCc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000190257703 565518467 /nfs/dbraw/zinc/51/84/67/565518467.db2.gz NRMVZIUCRNTKGZ-UHFFFAOYSA-N 0 1 392.239 3.102 20 0 GGADMN Cc1sc(Br)nc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000277760711 565518719 /nfs/dbraw/zinc/51/87/19/565518719.db2.gz SEKLXSMEJYQOBS-UHFFFAOYSA-N 0 1 395.282 3.386 20 0 GGADMN Cn1c(=O)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)cc21 ZINC000190277013 565519644 /nfs/dbraw/zinc/51/96/44/565519644.db2.gz RNTVLSGSVKVJBY-UHFFFAOYSA-N 0 1 391.207 3.378 20 0 GGADMN O=S(=O)([N-]C[C@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000173023624 565520134 /nfs/dbraw/zinc/52/01/34/565520134.db2.gz PCKDWKDIDHMTAR-SNVBAGLBSA-N 0 1 382.835 3.121 20 0 GGADMN O=S(=O)([N-]C[C@H]1CC[N@H+](C2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000173023624 565520142 /nfs/dbraw/zinc/52/01/42/565520142.db2.gz PCKDWKDIDHMTAR-SNVBAGLBSA-N 0 1 382.835 3.121 20 0 GGADMN O=C(NC1(c2nnc[nH]2)CCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000190357261 565525476 /nfs/dbraw/zinc/52/54/76/565525476.db2.gz HQTXAXFEQRFSSE-UHFFFAOYSA-N 0 1 377.235 3.106 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000173089696 565525603 /nfs/dbraw/zinc/52/56/03/565525603.db2.gz TYITUBOPXCZNQT-MEBBXXQBSA-N 0 1 383.279 3.199 20 0 GGADMN CC(C)COC[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000173090832 565525984 /nfs/dbraw/zinc/52/59/84/565525984.db2.gz DOHPBOKHDQVHDU-AWEZNQCLSA-N 0 1 377.384 3.389 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CCO2)n[nH]1 ZINC000173091819 565526618 /nfs/dbraw/zinc/52/66/18/565526618.db2.gz XJNFZZHLIRYVOY-ILXRZTDVSA-N 0 1 381.263 3.124 20 0 GGADMN Clc1cc2ncc(N3CCC[C@@H](CN4CCOCC4)C3)nc2cc1Cl ZINC000302087448 565528675 /nfs/dbraw/zinc/52/86/75/565528675.db2.gz KZMSTKBEYQUWNU-ZDUSSCGKSA-N 0 1 381.307 3.485 20 0 GGADMN Cc1nc(NCC2CCN(CC(=O)NC(C)(C)C)CC2)ccc1Br ZINC000302084274 565529053 /nfs/dbraw/zinc/52/90/53/565529053.db2.gz MUCCOGQQQCXONB-UHFFFAOYSA-N 0 1 397.361 3.191 20 0 GGADMN C[C@@H]1CN(CCCNc2ccnc3cc(Br)cnc32)C[C@@H](C)O1 ZINC000302122847 565532003 /nfs/dbraw/zinc/53/20/03/565532003.db2.gz VDXLQWMMEXFWSG-CHWSQXEVSA-N 0 1 379.302 3.304 20 0 GGADMN CC(C)OCCN1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000173169745 565534216 /nfs/dbraw/zinc/53/42/16/565534216.db2.gz JAQHKTDFFZARGN-UHFFFAOYSA-N 0 1 388.339 3.365 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000278009170 565534720 /nfs/dbraw/zinc/53/47/20/565534720.db2.gz OWXQREULAHNOIZ-CQSZACIVSA-N 0 1 384.351 3.167 20 0 GGADMN COC(=O)CCN(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190514041 565538094 /nfs/dbraw/zinc/53/80/94/565538094.db2.gz PQPRGPHCUYFGKA-AWEZNQCLSA-N 0 1 386.286 3.002 20 0 GGADMN CN(CCn1cccn1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190508549 565538128 /nfs/dbraw/zinc/53/81/28/565538128.db2.gz OTHOBVPWSCJQDS-MRXNPFEDSA-N 0 1 394.313 3.335 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173218396 565538539 /nfs/dbraw/zinc/53/85/39/565538539.db2.gz XBDLJTSCULPTST-JTQLQIEISA-N 0 1 388.682 3.058 20 0 GGADMN C[C@H](O)CN1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302401049 565541093 /nfs/dbraw/zinc/54/10/93/565541093.db2.gz JXIWZBDPBRHDCP-NSHDSACASA-N 0 1 384.705 3.154 20 0 GGADMN Brc1ccc(Br)c(CNc2ncnc3[nH]cnc32)c1 ZINC000302477944 565543078 /nfs/dbraw/zinc/54/30/78/565543078.db2.gz XOMVFYYYUBWHGN-UHFFFAOYSA-N 0 1 383.047 3.490 20 0 GGADMN C[C@@H]1CN(C(=O)CNC2(c3cccc(Br)c3)CCC2)C[C@@H](C)O1 ZINC000173283086 565544695 /nfs/dbraw/zinc/54/46/95/565544695.db2.gz GVXIWZYYMKGILT-ZIAGYGMSSA-N 0 1 381.314 3.054 20 0 GGADMN C[C@@H](O)CN1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302525236 565545228 /nfs/dbraw/zinc/54/52/28/565545228.db2.gz JXIWZBDPBRHDCP-LLVKDONJSA-N 0 1 384.705 3.154 20 0 GGADMN Nc1nc(-n2cccn2)cc(N2CCC(c3ccccc3Br)CC2)n1 ZINC000302551738 565546036 /nfs/dbraw/zinc/54/60/36/565546036.db2.gz KAOVIWHABXPYGB-UHFFFAOYSA-N 0 1 399.296 3.391 20 0 GGADMN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)ccc1Br ZINC000388085917 565550575 /nfs/dbraw/zinc/55/05/75/565550575.db2.gz SHZWJYRADZXCTG-AWEZNQCLSA-N 0 1 387.343 3.006 20 0 GGADMN COc1ccnc(Sc2nc(-c3ccc(OC)c(Br)c3)n[nH]2)n1 ZINC000302690233 565551059 /nfs/dbraw/zinc/55/10/59/565551059.db2.gz RMSNZGYDRCIGNZ-UHFFFAOYSA-N 0 1 394.254 3.193 20 0 GGADMN COc1ccc(-c2n[nH]c(Sc3ccnc(C)n3)n2)cc1Br ZINC000302695014 565551114 /nfs/dbraw/zinc/55/11/14/565551114.db2.gz SLWAXLLBPSQJJB-UHFFFAOYSA-N 0 1 378.255 3.492 20 0 GGADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1cccc(Br)c1 ZINC000173355922 565551303 /nfs/dbraw/zinc/55/13/03/565551303.db2.gz MUTHRPROXJJJTG-AWEZNQCLSA-N 0 1 397.338 3.219 20 0 GGADMN O=S(=O)(NCc1ccsc1Br)c1c(F)cc(F)cc1F ZINC000388549317 565551572 /nfs/dbraw/zinc/55/15/72/565551572.db2.gz LSOCEIQPKFGXKK-UHFFFAOYSA-N 0 1 386.214 3.406 20 0 GGADMN CC(C)(C)[S@](=O)Cc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333941 565551498 /nfs/dbraw/zinc/55/14/98/565551498.db2.gz YHJNZJFYIYQTCE-XELLLNAOSA-N 0 1 376.400 3.111 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1Br ZINC000278340139 565552303 /nfs/dbraw/zinc/55/23/03/565552303.db2.gz GUQRPXGYPPSBCM-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000389360081 565552923 /nfs/dbraw/zinc/55/29/23/565552923.db2.gz XDBRMPCQGYECLE-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CN(Cc1ccc(Br)cc1Cl)c1cc(-n2cccn2)nc(N)n1 ZINC000302732412 565553091 /nfs/dbraw/zinc/55/30/91/565553091.db2.gz UJINAVICCNFKAP-UHFFFAOYSA-N 0 1 393.676 3.297 20 0 GGADMN CCN(C)C(=O)[C@@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000389266058 565553175 /nfs/dbraw/zinc/55/31/75/565553175.db2.gz DJSJPUVWZNDDKT-SECBINFHSA-N 0 1 383.208 3.304 20 0 GGADMN CCN(C)C(=O)[C@H](C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000389266059 565553597 /nfs/dbraw/zinc/55/35/97/565553597.db2.gz DJSJPUVWZNDDKT-VIFPVBQESA-N 0 1 383.208 3.304 20 0 GGADMN CCC[N@@H+]1CC[C@H](NCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000389412736 565553698 /nfs/dbraw/zinc/55/36/98/565553698.db2.gz SLNPKTALSRNTLH-NSHDSACASA-N 0 1 392.135 3.491 20 0 GGADMN CCC[N@H+]1CC[C@H](NCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000389412736 565553700 /nfs/dbraw/zinc/55/37/00/565553700.db2.gz SLNPKTALSRNTLH-NSHDSACASA-N 0 1 392.135 3.491 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1csc(-c2cccs2)n1 ZINC000278371285 565554179 /nfs/dbraw/zinc/55/41/79/565554179.db2.gz GJNOGLUTAAJLLI-ZDUSSCGKSA-N 0 1 377.535 3.197 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CN(CCO)[C@H]1CCc2ccccc21 ZINC000173386888 565555332 /nfs/dbraw/zinc/55/53/32/565555332.db2.gz QTGXOXOHHSUKGY-KRWDZBQOSA-N 0 1 378.925 3.342 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000278428884 565557585 /nfs/dbraw/zinc/55/75/85/565557585.db2.gz NUEWYTOMBIWGJX-UHFFFAOYSA-N 0 1 379.400 3.493 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)N(C)Cc1ccccc1 ZINC000390790096 565557956 /nfs/dbraw/zinc/55/79/56/565557956.db2.gz FCFNKVBMLNDHFP-CQSZACIVSA-N 0 1 397.338 3.248 20 0 GGADMN COc1ccc(Br)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000390887609 565558651 /nfs/dbraw/zinc/55/86/51/565558651.db2.gz JKCDUQZZOSJHMW-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000390887609 565558655 /nfs/dbraw/zinc/55/86/55/565558655.db2.gz JKCDUQZZOSJHMW-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN CN1CCN(c2ncccc2CNc2ncc(Cl)cc2Br)CC1 ZINC000302839119 565560392 /nfs/dbraw/zinc/56/03/92/565560392.db2.gz YYHRNHMUNGSXIE-UHFFFAOYSA-N 0 1 396.720 3.256 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000190812786 565560873 /nfs/dbraw/zinc/56/08/73/565560873.db2.gz WZKPNQKNERIQSH-UHFFFAOYSA-N 0 1 377.286 3.181 20 0 GGADMN Cc1cnc(CNS(=O)(=O)c2cc(Cl)c(Br)cc2F)o1 ZINC000190825473 565561874 /nfs/dbraw/zinc/56/18/74/565561874.db2.gz XNIXQIKBSACUIM-UHFFFAOYSA-N 0 1 383.626 3.017 20 0 GGADMN NC(=O)[C@@H](NCCc1ccccc1OC(F)F)c1cccc(Br)c1 ZINC000190827079 565562009 /nfs/dbraw/zinc/56/20/09/565562009.db2.gz ZMHSIJUPGCOALB-HNNXBMFYSA-N 0 1 399.235 3.409 20 0 GGADMN CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1Cl ZINC000190831754 565562240 /nfs/dbraw/zinc/56/22/40/565562240.db2.gz SCORGSZKMRAFPR-UHFFFAOYSA-N 0 1 398.264 3.337 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2cc(Cl)ccc2OC(F)F)[nH]1 ZINC000173505981 565562394 /nfs/dbraw/zinc/56/23/94/565562394.db2.gz INPISQBXVOBXJQ-UHFFFAOYSA-N 0 1 376.816 3.167 20 0 GGADMN CN(Cc1nc(C(F)(F)F)cs1)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302887579 565562770 /nfs/dbraw/zinc/56/27/70/565562770.db2.gz NZPWIPDNMLRAPJ-UHFFFAOYSA-N 0 1 382.293 3.483 20 0 GGADMN Cc1ncc([C@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c(C)n1 ZINC000278551058 565565539 /nfs/dbraw/zinc/56/55/39/565565539.db2.gz VUIQCRJLHWJFCC-SJCJKPOMSA-N 0 1 389.297 3.312 20 0 GGADMN Cc1csc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000190869440 565565699 /nfs/dbraw/zinc/56/56/99/565565699.db2.gz ORJMDCCMNMBZGG-TXEJJXNPSA-N 0 1 375.332 3.048 20 0 GGADMN OC[C@H](NCc1c(Br)cncc1Br)C1CCCC1 ZINC000394540834 565571189 /nfs/dbraw/zinc/57/11/89/565571189.db2.gz WHGYFIYSTQZLQJ-ZDUSSCGKSA-N 0 1 378.108 3.247 20 0 GGADMN O=C(NCCN1CC=CCC1)c1cc(Br)cc(Br)c1 ZINC000392819212 565566711 /nfs/dbraw/zinc/56/67/11/565566711.db2.gz PCPUBQBTHHTOIS-UHFFFAOYSA-N 0 1 388.103 3.203 20 0 GGADMN O=C(NCCN1CC=CCC1)c1cc(Br)ccc1Br ZINC000392817094 565567066 /nfs/dbraw/zinc/56/70/66/565567066.db2.gz NCPWXQGPWUIBKQ-UHFFFAOYSA-N 0 1 388.103 3.203 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000392821394 565567341 /nfs/dbraw/zinc/56/73/41/565567341.db2.gz UDAOOOVBLHHDMW-ZDUSSCGKSA-N 0 1 382.507 3.386 20 0 GGADMN COc1ccc(Br)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000303143189 565567449 /nfs/dbraw/zinc/56/74/49/565567449.db2.gz VRUWSFUIVCGUNW-MRXNPFEDSA-N 0 1 389.293 3.462 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000278593718 565568012 /nfs/dbraw/zinc/56/80/12/565568012.db2.gz ZTXIPXBZFIMUTD-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1csc(-c2ccoc2)n1 ZINC000303290660 565568209 /nfs/dbraw/zinc/56/82/09/565568209.db2.gz MICFUXFSIBARLG-UHFFFAOYSA-N 0 1 377.535 3.495 20 0 GGADMN C[NH+](C)CC1(NCc2cc(Br)c([O-])c(Br)c2)CCC1 ZINC000393547921 565568623 /nfs/dbraw/zinc/56/86/23/565568623.db2.gz PKBZYAAMKZLIIU-UHFFFAOYSA-N 0 1 392.135 3.491 20 0 GGADMN COCCN(C)c1ccc(CNCc2ccc(Br)c(F)c2)cn1 ZINC000190906787 565568964 /nfs/dbraw/zinc/56/89/64/565568964.db2.gz MIUKDMHMOBKDOE-UHFFFAOYSA-N 0 1 382.277 3.356 20 0 GGADMN CC(C)(O)C(C)(C)CNCc1ncc(Br)cc1Br ZINC000393615105 565569531 /nfs/dbraw/zinc/56/95/31/565569531.db2.gz FQSYFDYTMTWDKY-UHFFFAOYSA-N 0 1 380.124 3.493 20 0 GGADMN C[C@@H]1C[N@H+](Cc2c(Br)cncc2Br)CC[C@H]1C(=O)[O-] ZINC000394010882 565570100 /nfs/dbraw/zinc/57/01/00/565570100.db2.gz AJLYBJQBTGVZMO-RKDXNWHRSA-N 0 1 392.091 3.149 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2c(Br)cncc2Br)CC[C@H]1C(=O)[O-] ZINC000394010882 565570105 /nfs/dbraw/zinc/57/01/05/565570105.db2.gz AJLYBJQBTGVZMO-RKDXNWHRSA-N 0 1 392.091 3.149 20 0 GGADMN COC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000303580578 565571044 /nfs/dbraw/zinc/57/10/44/565571044.db2.gz QXZJSOZRRWSTML-VHSXEESVSA-N 0 1 380.794 3.427 20 0 GGADMN CC(C)(C)C[C@@H](O)CNCc1c(Br)cncc1Br ZINC000394576116 565571243 /nfs/dbraw/zinc/57/12/43/565571243.db2.gz QZNWJJJZSFHCOJ-SECBINFHSA-N 0 1 380.124 3.493 20 0 GGADMN C[C@H]1C[N@@H+](CCCNC(=O)CSc2nc3ccccc3s2)CCCO1 ZINC000278713012 565574001 /nfs/dbraw/zinc/57/40/01/565574001.db2.gz VSOUGUPPWRZGPF-AWEZNQCLSA-N 0 1 379.551 3.006 20 0 GGADMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc(I)cc1 ZINC000303762803 565574240 /nfs/dbraw/zinc/57/42/40/565574240.db2.gz LFHJMGNDIQGFOS-NSHDSACASA-N 0 1 392.306 3.303 20 0 GGADMN COc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)cc1Br ZINC000173654644 565574409 /nfs/dbraw/zinc/57/44/09/565574409.db2.gz WVQKCMWSQXZFSW-RKDXNWHRSA-N 0 1 383.208 3.175 20 0 GGADMN COc1ccc([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)cc1Br ZINC000173654636 565574475 /nfs/dbraw/zinc/57/44/75/565574475.db2.gz WVQKCMWSQXZFSW-DTWKUNHWSA-N 0 1 383.208 3.175 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccco1 ZINC000303829065 565574855 /nfs/dbraw/zinc/57/48/55/565574855.db2.gz GZXRAIRPVAOTNY-GFCCVEGCSA-N 0 1 387.661 3.434 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NC(=O)NCc1cccs1 ZINC000303906583 565575300 /nfs/dbraw/zinc/57/53/00/565575300.db2.gz TZSNZIIGNNINGH-ZDUSSCGKSA-N 0 1 379.913 3.290 20 0 GGADMN COC[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000278746926 565575337 /nfs/dbraw/zinc/57/53/37/565575337.db2.gz AOMFILIPIAXAGP-UONOGXRCSA-N 0 1 380.794 3.081 20 0 GGADMN COC[C@@H](NCc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000278749588 565575514 /nfs/dbraw/zinc/57/55/14/565575514.db2.gz AROGSRHRDOFZGC-SJORKVTESA-N 0 1 392.297 3.190 20 0 GGADMN CCOC(=O)CCCCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000303839956 565575554 /nfs/dbraw/zinc/57/55/54/565575554.db2.gz QEIHAFXTAKTYPM-UHFFFAOYSA-N 0 1 389.359 3.362 20 0 GGADMN COC[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000278746914 565575672 /nfs/dbraw/zinc/57/56/72/565575672.db2.gz AOMFILIPIAXAGP-KBPBESRZSA-N 0 1 380.794 3.081 20 0 GGADMN C[C@H]1OCC[C@@]1(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000278763951 565576267 /nfs/dbraw/zinc/57/62/67/565576267.db2.gz XPMGCRCUMXFMDK-BDJLRTHQSA-N 0 1 383.311 3.202 20 0 GGADMN C[C@H]1OCC[C@]1(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000278763952 565576628 /nfs/dbraw/zinc/57/66/28/565576628.db2.gz XPMGCRCUMXFMDK-BZNIZROVSA-N 0 1 383.311 3.202 20 0 GGADMN C[C@@H]1OCC[C@]1(O)CNCc1csc(-c2cccc(Br)c2)n1 ZINC000278763957 565576788 /nfs/dbraw/zinc/57/67/88/565576788.db2.gz XPMGCRCUMXFMDK-ZBEGNZNMSA-N 0 1 383.311 3.202 20 0 GGADMN O=C1[C@@H](NCc2cc(Br)c(Cl)s2)CCN1CC(F)(F)F ZINC000191011642 565577023 /nfs/dbraw/zinc/57/70/23/565577023.db2.gz LLPWOZZLXIGABY-QMMMGPOBSA-N 0 1 391.640 3.417 20 0 GGADMN CC(C)(C)n1cc(CN[C@@H]2CCN(c3ccccc3Br)C2)nn1 ZINC000191007519 565577572 /nfs/dbraw/zinc/57/75/72/565577572.db2.gz TXMHRXWPEDCFJV-CYBMUJFWSA-N 0 1 378.318 3.164 20 0 GGADMN CNC(=O)[C@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000173724745 565579004 /nfs/dbraw/zinc/57/90/04/565579004.db2.gz UBWYMNXALDQXPZ-ZDUSSCGKSA-N 0 1 378.270 3.062 20 0 GGADMN COC(=O)c1scc(C)c1NS(=O)(=O)CCCOCc1ccccc1 ZINC000310957178 565579075 /nfs/dbraw/zinc/57/90/75/565579075.db2.gz CSGIETBMPLTEQR-UHFFFAOYSA-N 0 1 383.491 3.192 20 0 GGADMN CCCS(=O)(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000191048143 565579857 /nfs/dbraw/zinc/57/98/57/565579857.db2.gz ZVKOYHSFFITJIX-UHFFFAOYSA-N 0 1 378.460 3.308 20 0 GGADMN O=C(NCCNCc1nccn1-c1ccccc1)c1cccc(Br)c1 ZINC000191040612 565579873 /nfs/dbraw/zinc/57/98/73/565579873.db2.gz HECOTKGPBPOERA-UHFFFAOYSA-N 0 1 399.292 3.154 20 0 GGADMN C[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1)C1CC1 ZINC000191085076 565581856 /nfs/dbraw/zinc/58/18/56/565581856.db2.gz JPSSVSPMVKBLGS-ZDUSSCGKSA-N 0 1 380.330 3.181 20 0 GGADMN CCCOc1c(Br)cc(CNC(C)(C)C(=O)NCC)cc1OC ZINC000312900459 565583367 /nfs/dbraw/zinc/58/33/67/565583367.db2.gz YYGPKBXDCYPCHR-UHFFFAOYSA-N 0 1 387.318 3.251 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H]3CCSc4ccc(Cl)cc43)C2=O)n(C)n1 ZINC000173765422 565583769 /nfs/dbraw/zinc/58/37/69/565583769.db2.gz KHWRXWWEUVXYOD-HUUCEWRRSA-N 0 1 376.913 3.314 20 0 GGADMN Cn1cc(N2CCC[C@H](N[C@H]3CCSc4ccc(Cl)cc43)C2=O)cn1 ZINC000173765307 565584004 /nfs/dbraw/zinc/58/40/04/565584004.db2.gz NMRZHGOGROQLRW-HOTGVXAUSA-N 0 1 376.913 3.396 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H]3CCSc4ccc(Cl)cc43)C2=O)n(C)n1 ZINC000173765407 565584067 /nfs/dbraw/zinc/58/40/67/565584067.db2.gz KHWRXWWEUVXYOD-CABCVRRESA-N 0 1 376.913 3.314 20 0 GGADMN COc1ccc(Br)c(C(=O)N2CCNC[C@@H]2c2ccccc2)c1 ZINC000313368909 565584452 /nfs/dbraw/zinc/58/44/52/565584452.db2.gz ZHWPILXYBKFIMZ-QGZVFWFLSA-N 0 1 375.266 3.244 20 0 GGADMN Cc1csc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1Br ZINC000278916552 565585239 /nfs/dbraw/zinc/58/52/39/565585239.db2.gz UHQQGWPKMBPAGO-LBPRGKRZSA-N 0 1 387.343 3.144 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1Br ZINC000278919438 565585552 /nfs/dbraw/zinc/58/55/52/565585552.db2.gz HQCBZOIKGMZIAA-UHFFFAOYSA-N 0 1 390.281 3.470 20 0 GGADMN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000314249444 565586202 /nfs/dbraw/zinc/58/62/02/565586202.db2.gz FYHJBNKODFKNNC-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN CCS(=O)(=O)CCCCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000191161830 565586311 /nfs/dbraw/zinc/58/63/11/565586311.db2.gz RVNFXSMTTNROAD-UHFFFAOYSA-N 0 1 375.466 3.447 20 0 GGADMN NC(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccc(Br)cc1F ZINC000173797828 565587667 /nfs/dbraw/zinc/58/76/67/565587667.db2.gz FTVKBQBRQPFIHT-KRWDZBQOSA-N 0 1 390.256 3.428 20 0 GGADMN Cc1cccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1Br ZINC000278954434 565587793 /nfs/dbraw/zinc/58/77/93/565587793.db2.gz ZHMAURMSMREHLF-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)cc1Br ZINC000407998484 565589809 /nfs/dbraw/zinc/58/98/09/565589809.db2.gz QTFATJOLHDHUPZ-LLVKDONJSA-N 0 1 380.242 3.174 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C)cc1Br ZINC000407998484 565589812 /nfs/dbraw/zinc/58/98/12/565589812.db2.gz QTFATJOLHDHUPZ-LLVKDONJSA-N 0 1 380.242 3.174 20 0 GGADMN Cc1nn(C)c(CNC2CCC(O)(c3ccccc3)CC2)c1Br ZINC000279022243 565590918 /nfs/dbraw/zinc/59/09/18/565590918.db2.gz ANFOSAJNADINGE-UHFFFAOYSA-N 0 1 378.314 3.411 20 0 GGADMN COCCc1ccccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000279024029 565591064 /nfs/dbraw/zinc/59/10/64/565591064.db2.gz CIRYMILYHVKAKD-UHFFFAOYSA-N 0 1 385.869 3.347 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000191273148 565592138 /nfs/dbraw/zinc/59/21/38/565592138.db2.gz BCDADLGPCKUENR-GFCCVEGCSA-N 0 1 388.295 3.188 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1Br ZINC000279037529 565592308 /nfs/dbraw/zinc/59/23/08/565592308.db2.gz NLMXAISHSGFLMP-SDWAUSNYSA-N 0 1 398.326 3.305 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1Br ZINC000279049105 565592452 /nfs/dbraw/zinc/59/24/52/565592452.db2.gz OGOMRQFBVOTQHI-CQSZACIVSA-N 0 1 392.297 3.414 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c(Br)c1 ZINC000316818261 565593195 /nfs/dbraw/zinc/59/31/95/565593195.db2.gz JASFUJFHYJLCFW-AWEZNQCLSA-N 0 1 387.343 3.006 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2ccc(Br)o2)CC1 ZINC000191274691 565593747 /nfs/dbraw/zinc/59/37/47/565593747.db2.gz OOCFMZDIRNHQTP-UHFFFAOYSA-N 0 1 385.224 3.129 20 0 GGADMN Cc1nn(C)c(CNCCc2nc(-c3ccccn3)cs2)c1Br ZINC000279087180 565594281 /nfs/dbraw/zinc/59/42/81/565594281.db2.gz HWERVDQQDOGNEZ-UHFFFAOYSA-N 0 1 392.326 3.342 20 0 GGADMN O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1c(Cl)ccc(F)c1F ZINC000408115311 565595278 /nfs/dbraw/zinc/59/52/78/565595278.db2.gz MVDUHISXPSBUAC-ZWZTZDBGSA-N 0 1 377.840 3.244 20 0 GGADMN CC[C@H](C)NC(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191319017 565595615 /nfs/dbraw/zinc/59/56/15/565595615.db2.gz IJBHOAUYPMCPAE-VIFPVBQESA-N 0 1 399.314 3.250 20 0 GGADMN Cc1nn(C)c(CNC[C@H](O)c2ccc(OC(C)C)cc2)c1Br ZINC000279099824 565595861 /nfs/dbraw/zinc/59/58/61/565595861.db2.gz JEWVYJSTETZUPX-INIZCTEOSA-N 0 1 382.302 3.101 20 0 GGADMN CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191319001 565596079 /nfs/dbraw/zinc/59/60/79/565596079.db2.gz IJBHOAUYPMCPAE-SECBINFHSA-N 0 1 399.314 3.250 20 0 GGADMN CCCCNC(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191314752 565596091 /nfs/dbraw/zinc/59/60/91/565596091.db2.gz BNYMJIKIAISCSS-UHFFFAOYSA-N 0 1 399.314 3.251 20 0 GGADMN CCOC(=O)[C@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191309667 565596095 /nfs/dbraw/zinc/59/60/95/565596095.db2.gz OTVTWVNBZPYERM-QMMMGPOBSA-N 0 1 386.271 3.287 20 0 GGADMN COc1ccc(-c2n[nH]c(SCCn3cccn3)n2)cc1Br ZINC000191310862 565596138 /nfs/dbraw/zinc/59/61/38/565596138.db2.gz DYXKFDWZZPRYNH-UHFFFAOYSA-N 0 1 380.271 3.232 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)[nH]1 ZINC000279093420 565596122 /nfs/dbraw/zinc/59/61/22/565596122.db2.gz UNNNNSWKSPJZEH-UHFFFAOYSA-N 0 1 382.902 3.349 20 0 GGADMN OCCn1ncc2c1CCC[C@@H]2NCc1ccc(Br)cc1Cl ZINC000318648898 565597138 /nfs/dbraw/zinc/59/71/38/565597138.db2.gz SINQVLKJUGCILN-HNNXBMFYSA-N 0 1 384.705 3.459 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cc(Br)ccc2-n2cccn2)CCN1C ZINC000408209149 565598957 /nfs/dbraw/zinc/59/89/57/565598957.db2.gz YVELPUYVEPKXEY-CHWSQXEVSA-N 0 1 392.301 3.191 20 0 GGADMN C[C@H]1[C@H](C)N(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCN1C ZINC000408207792 565599562 /nfs/dbraw/zinc/59/95/62/565599562.db2.gz UFQQXDABUQTTOR-STQMWFEESA-N 0 1 392.301 3.191 20 0 GGADMN C[C@H]1[C@H](C)N(C(=O)Nc2cc(Br)ccc2-n2cccn2)CCN1C ZINC000408209155 565599576 /nfs/dbraw/zinc/59/95/76/565599576.db2.gz YVELPUYVEPKXEY-STQMWFEESA-N 0 1 392.301 3.191 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000408209154 565599660 /nfs/dbraw/zinc/59/96/60/565599660.db2.gz YVELPUYVEPKXEY-QWHCGFSZSA-N 0 1 392.301 3.191 20 0 GGADMN Cc1nn(C)c(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1Br ZINC000279180929 565600215 /nfs/dbraw/zinc/60/02/15/565600215.db2.gz RWRHWWUXTWPAQO-ZDUSSCGKSA-N 0 1 376.657 3.107 20 0 GGADMN CC[C@H]1CN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCS1 ZINC000173933213 565600517 /nfs/dbraw/zinc/60/05/17/565600517.db2.gz HLVHZAAAWZAHRG-SFHVURJKSA-N 0 1 379.595 3.001 20 0 GGADMN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000319938718 565600590 /nfs/dbraw/zinc/60/05/90/565600590.db2.gz ASMWHRQVGGWEBZ-NKWVEPMBSA-N 0 1 390.130 3.160 20 0 GGADMN CCC1(CC)[C@H](NCc2nnnn2-c2ccccc2Br)C[C@H]1OC ZINC000191375814 565600636 /nfs/dbraw/zinc/60/06/36/565600636.db2.gz ZIQJLMYYIAHKBB-HUUCEWRRSA-N 0 1 394.317 3.108 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2cnn(C(C)C)c2C)c(C)s1 ZINC000191385975 565600706 /nfs/dbraw/zinc/60/07/06/565600706.db2.gz NKLHGQBHFXBHTK-ZDUSSCGKSA-N 0 1 384.571 3.080 20 0 GGADMN C[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC2(CCOCC2)O1 ZINC000279221183 565601148 /nfs/dbraw/zinc/60/11/48/565601148.db2.gz NWNMGMMJMJQTOH-LLVKDONJSA-N 0 1 381.885 3.202 20 0 GGADMN Clc1sc(CN2CC[C@@H](CN3CCOCC3)C2)cc1Br ZINC000191402667 565601386 /nfs/dbraw/zinc/60/13/86/565601386.db2.gz XKXFJQBVRDKWKH-NSHDSACASA-N 0 1 379.751 3.318 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000320415610 565601790 /nfs/dbraw/zinc/60/17/90/565601790.db2.gz RKNRPZAPJQEQKD-GFCCVEGCSA-N 0 1 387.249 3.246 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000320415610 565601797 /nfs/dbraw/zinc/60/17/97/565601797.db2.gz RKNRPZAPJQEQKD-GFCCVEGCSA-N 0 1 387.249 3.246 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1Br ZINC000279205058 565601870 /nfs/dbraw/zinc/60/18/70/565601870.db2.gz KKMUUSKSVPUVAJ-CYBMUJFWSA-N 0 1 382.233 3.087 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000320604027 565603012 /nfs/dbraw/zinc/60/30/12/565603012.db2.gz YLMBUTRWTCLOIG-INIZCTEOSA-N 0 1 380.242 3.186 20 0 GGADMN C[C@@H](NCc1cc(F)ccc1Br)c1cccc(-n2cnnn2)c1 ZINC000321004054 565604677 /nfs/dbraw/zinc/60/46/77/565604677.db2.gz OCTCNMUZXFQMLZ-LLVKDONJSA-N 0 1 376.233 3.415 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)NCc1cc(Br)c(Cl)s1 ZINC000191487321 565607661 /nfs/dbraw/zinc/60/76/61/565607661.db2.gz ZTDJRXHJHMOXJY-LBPRGKRZSA-N 0 1 397.766 3.431 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1C ZINC000174045651 565608944 /nfs/dbraw/zinc/60/89/44/565608944.db2.gz XDTJPOAQSVFASX-UHFFFAOYSA-N 0 1 396.774 3.285 20 0 GGADMN C[C@@](CO)(NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000322503835 565609103 /nfs/dbraw/zinc/60/91/03/565609103.db2.gz RPHKFXNKGCEZMC-SFHVURJKSA-N 0 1 378.266 3.218 20 0 GGADMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1nnnn1C1CC1 ZINC000191528537 565610247 /nfs/dbraw/zinc/61/02/47/565610247.db2.gz HUFANACJOUSIIX-QMMMGPOBSA-N 0 1 392.286 3.409 20 0 GGADMN NC(=O)[C@H](NC[C@@H]1CCOc2ccccc21)c1ccc(Br)cc1F ZINC000174072494 565610310 /nfs/dbraw/zinc/61/03/10/565610310.db2.gz QYDYCXGCFJKFIQ-APPDUMDISA-N 0 1 393.256 3.271 20 0 GGADMN Cc1cccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1Br ZINC000322714061 565610589 /nfs/dbraw/zinc/61/05/89/565610589.db2.gz QOGGVKKWTLEDRQ-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000408466708 565610920 /nfs/dbraw/zinc/61/09/20/565610920.db2.gz JPYXLTCCVBYNMT-LLVKDONJSA-N 0 1 380.242 3.174 20 0 GGADMN NC(=O)[C@@H](NC[C@@H]1CCc2ccccc21)c1ccc(Br)cc1F ZINC000174075995 565611385 /nfs/dbraw/zinc/61/13/85/565611385.db2.gz QMFNULLNKYLCGT-SJCJKPOMSA-N 0 1 377.257 3.434 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)c(Br)c1 ZINC000174113305 565614673 /nfs/dbraw/zinc/61/46/73/565614673.db2.gz LCYYKPZXXIVPMK-UHFFFAOYSA-N 0 1 387.230 3.212 20 0 GGADMN O=C([O-])[C@@]1([NH2+]Cc2cc(Br)ccc2F)CCOc2ccccc21 ZINC000409447466 565616237 /nfs/dbraw/zinc/61/62/37/565616237.db2.gz ZCDSQTLBCNLPAX-QGZVFWFLSA-N 0 1 380.213 3.440 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000279516107 565616317 /nfs/dbraw/zinc/61/63/17/565616317.db2.gz LFWKOERBRXZDKS-UHFFFAOYSA-N 0 1 397.522 3.180 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCc2cc(Br)ccc2C1 ZINC000191608068 565616767 /nfs/dbraw/zinc/61/67/67/565616767.db2.gz RJFLFBYYCWNLGH-UHFFFAOYSA-N 0 1 383.249 3.433 20 0 GGADMN Cc1cccc(Br)c1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000324411839 565617430 /nfs/dbraw/zinc/61/74/30/565617430.db2.gz FCWZKLHATKQUKX-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2ccc(Br)s2)C1=O ZINC000191635773 565617938 /nfs/dbraw/zinc/61/79/38/565617938.db2.gz JIJSWXCLGYDFBZ-LBPRGKRZSA-N 0 1 383.315 3.012 20 0 GGADMN COc1cc(Br)c(C[N@H+]2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1OC ZINC000324540095 565618134 /nfs/dbraw/zinc/61/81/34/565618134.db2.gz VZPPWDXNMUQKIF-KRWDZBQOSA-N 0 1 386.286 3.399 20 0 GGADMN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1CCN(CC2CC2)CC1 ZINC000409478265 565618254 /nfs/dbraw/zinc/61/82/54/565618254.db2.gz LSVUYEDSQWWZGW-QUCCMNQESA-N 0 1 389.337 3.207 20 0 GGADMN CC(C)Oc1ncccc1CNC[C@@H](O)COc1cccc(Br)c1 ZINC000324761655 565618855 /nfs/dbraw/zinc/61/88/55/565618855.db2.gz WHKPLWGFJFUFIB-MRXNPFEDSA-N 0 1 395.297 3.161 20 0 GGADMN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174179261 565618801 /nfs/dbraw/zinc/61/88/01/565618801.db2.gz IBUSKGNFYIZSPL-LBPRGKRZSA-N 0 1 382.291 3.269 20 0 GGADMN CC(C)Oc1ncccc1CNC[C@H](O)COc1cccc(Br)c1 ZINC000324761654 565619352 /nfs/dbraw/zinc/61/93/52/565619352.db2.gz WHKPLWGFJFUFIB-INIZCTEOSA-N 0 1 395.297 3.161 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174184159 565619834 /nfs/dbraw/zinc/61/98/34/565619834.db2.gz XNKDBFKJHKVMHP-GJZGRUSLSA-N 0 1 385.335 3.353 20 0 GGADMN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174185962 565619904 /nfs/dbraw/zinc/61/99/04/565619904.db2.gz WDQRCLQLMXVFRQ-MRXNPFEDSA-N 0 1 385.335 3.497 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174191638 565620274 /nfs/dbraw/zinc/62/02/74/565620274.db2.gz MEYHPANSASYFPM-XOKHGSTOSA-N 0 1 383.319 3.278 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174184171 565620306 /nfs/dbraw/zinc/62/03/06/565620306.db2.gz XNKDBFKJHKVMHP-CABCVRRESA-N 0 1 385.335 3.353 20 0 GGADMN CC(C)[C@H](C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N(C)C ZINC000279573654 565620385 /nfs/dbraw/zinc/62/03/85/565620385.db2.gz MATOQAORSYJISZ-MRXNPFEDSA-N 0 1 396.329 3.210 20 0 GGADMN CC(C)[C@@H](C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)N(C)C ZINC000279573651 565620433 /nfs/dbraw/zinc/62/04/33/565620433.db2.gz MATOQAORSYJISZ-INIZCTEOSA-N 0 1 396.329 3.210 20 0 GGADMN Cc1cccc(O[C@@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000174235855 565622793 /nfs/dbraw/zinc/62/27/93/565622793.db2.gz VXXWATKQOUAUFJ-GUYCJALGSA-N 0 1 377.282 3.341 20 0 GGADMN C[C@@]1(O)CCCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000279627347 565623115 /nfs/dbraw/zinc/62/31/15/565623115.db2.gz HNLOCAYPTUZVFB-GOSISDBHSA-N 0 1 383.330 3.023 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000279635885 565624065 /nfs/dbraw/zinc/62/40/65/565624065.db2.gz ZVPJSHSJIPFTDS-UHFFFAOYSA-N 0 1 394.151 3.130 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCN3CCC(C)CC3)c2)n1 ZINC000409564964 565624442 /nfs/dbraw/zinc/62/44/42/565624442.db2.gz GDKALKWPPRAOPY-UHFFFAOYSA-N 0 1 379.551 3.129 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)cc(C)c3O)ccc21 ZINC000174251537 565625135 /nfs/dbraw/zinc/62/51/35/565625135.db2.gz DUJIJLUYMBTNQO-UHFFFAOYSA-N 0 1 380.853 3.064 20 0 GGADMN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCN2CCCC[C@H]2C1 ZINC000409586820 565625476 /nfs/dbraw/zinc/62/54/76/565625476.db2.gz WYFGABZHTVJDJO-XKGZKEIXSA-N 0 1 389.337 3.350 20 0 GGADMN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCN2CCCC[C@@H]2C1 ZINC000409586813 565625568 /nfs/dbraw/zinc/62/55/68/565625568.db2.gz WYFGABZHTVJDJO-IMFGXOCKSA-N 0 1 389.337 3.350 20 0 GGADMN C[C@@H]1CN(Cc2cc(Br)ccc2OCc2ccccn2)C[C@H]1CO ZINC000191720363 565625736 /nfs/dbraw/zinc/62/57/36/565625736.db2.gz ACXKWFQTPQBDSE-ZBFHGGJFSA-N 0 1 391.309 3.483 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCN3CCCCCC3)c2)n1 ZINC000409578245 565625870 /nfs/dbraw/zinc/62/58/70/565625870.db2.gz WSTYWCGFPKCJAH-UHFFFAOYSA-N 0 1 379.551 3.273 20 0 GGADMN NC(=O)CCNc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000174267489 565625990 /nfs/dbraw/zinc/62/59/90/565625990.db2.gz VGPISMODKUBJJP-UHFFFAOYSA-N 0 1 388.276 3.082 20 0 GGADMN COc1ccccc1O[C@H](C)CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174271328 565626187 /nfs/dbraw/zinc/62/61/87/565626187.db2.gz JNNJYPQZOVPGPP-PXAZEXFGSA-N 0 1 393.281 3.041 20 0 GGADMN Cc1nnc(SCCC(=O)N(C)Cc2csc(Br)c2)[nH]1 ZINC000174266223 565626344 /nfs/dbraw/zinc/62/63/44/565626344.db2.gz UWMOUDWPKIXAQB-UHFFFAOYSA-N 0 1 375.317 3.078 20 0 GGADMN COC(=O)CCN(Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CCCO1 ZINC000327217336 565628421 /nfs/dbraw/zinc/62/84/21/565628421.db2.gz LGFXCTRUPQPIGL-CQSZACIVSA-N 0 1 377.815 3.486 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000327329879 565629257 /nfs/dbraw/zinc/62/92/57/565629257.db2.gz CIXULAHYDZFDOX-CQSZACIVSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000327329879 565629264 /nfs/dbraw/zinc/62/92/64/565629264.db2.gz CIXULAHYDZFDOX-CQSZACIVSA-N 0 1 375.734 3.229 20 0 GGADMN COc1ncc(C)cc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000174357193 565631328 /nfs/dbraw/zinc/63/13/28/565631328.db2.gz KVZDAQFLJMNCDL-UHFFFAOYSA-N 0 1 388.221 3.255 20 0 GGADMN COc1nc(NC[C@H](c2ccco2)N2CCCCC2)ncc1Br ZINC000409680834 565632462 /nfs/dbraw/zinc/63/24/62/565632462.db2.gz XRHJASKGPBCQPY-CYBMUJFWSA-N 0 1 381.274 3.480 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)cc1Br ZINC000191810064 565634643 /nfs/dbraw/zinc/63/46/43/565634643.db2.gz UELZNIISHJSEMZ-UHFFFAOYSA-N 0 1 398.282 3.234 20 0 GGADMN CC(C)(C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1Br ZINC000409707494 565635405 /nfs/dbraw/zinc/63/54/05/565635405.db2.gz QRCXHDDZEMZKHF-UHFFFAOYSA-N 0 1 385.265 3.368 20 0 GGADMN CCOC(=O)COc1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000328382707 565635742 /nfs/dbraw/zinc/63/57/42/565635742.db2.gz XLXXXTFPDIMPCT-UHFFFAOYSA-N 0 1 387.816 3.222 20 0 GGADMN C[C@H]1CCSCCN1Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000191819054 565635863 /nfs/dbraw/zinc/63/58/63/565635863.db2.gz GEXXCTXWLPWSRC-INIZCTEOSA-N 0 1 384.973 3.378 20 0 GGADMN O=C(N[C@H]1CCCC12CCOCC2)c1n[nH]c2ccc(Br)cc21 ZINC000328638660 565636732 /nfs/dbraw/zinc/63/67/32/565636732.db2.gz BQTRKDAZXZEDKU-AWEZNQCLSA-N 0 1 378.270 3.405 20 0 GGADMN O=S(=O)(CCO)c1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000191842209 565637027 /nfs/dbraw/zinc/63/70/27/565637027.db2.gz FOSYIBWHQXDULL-UHFFFAOYSA-N 0 1 387.473 3.057 20 0 GGADMN O=C(COc1ccc(Br)cc1)NCc1nc2ccc(F)cc2[nH]1 ZINC000174451965 565637112 /nfs/dbraw/zinc/63/71/12/565637112.db2.gz LOUAYMCZPJBEPI-UHFFFAOYSA-N 0 1 378.201 3.160 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409724686 565637803 /nfs/dbraw/zinc/63/78/03/565637803.db2.gz YKCMCZLMZSSGSK-BJLQDIEVSA-N 0 1 391.353 3.452 20 0 GGADMN COCc1c(Br)cccc1NC(=O)CCSc1nnc(C)[nH]1 ZINC000174465089 565637889 /nfs/dbraw/zinc/63/78/89/565637889.db2.gz WYZPNEWWGAIKBH-UHFFFAOYSA-N 0 1 385.287 3.143 20 0 GGADMN CCc1cc(C(=O)N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000174470100 565637898 /nfs/dbraw/zinc/63/78/98/565637898.db2.gz AUPCWUAATDVXPN-ZDUSSCGKSA-N 0 1 391.313 3.254 20 0 GGADMN COc1ccc(Br)c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC000174459318 565637973 /nfs/dbraw/zinc/63/79/73/565637973.db2.gz XXQNUMMJUYSACA-UHFFFAOYSA-N 0 1 378.201 3.403 20 0 GGADMN CCc1cc(C(=O)N2CCN([C@H](C)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000174470111 565638077 /nfs/dbraw/zinc/63/80/77/565638077.db2.gz AUPCWUAATDVXPN-CYBMUJFWSA-N 0 1 391.313 3.254 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NC3CCN(C4CC4)CC3)c2)n1 ZINC000328672592 565638567 /nfs/dbraw/zinc/63/85/67/565638567.db2.gz OJQSKFLGYWLHRN-UHFFFAOYSA-N 0 1 377.535 3.024 20 0 GGADMN CCCOc1c(Cl)cc(CNCC2(S(C)(=O)=O)CCC2)cc1OC ZINC000279892725 565639895 /nfs/dbraw/zinc/63/98/95/565639895.db2.gz VHRZQXGHPPOJMT-UHFFFAOYSA-N 0 1 375.918 3.194 20 0 GGADMN Cn1nncc1C(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000409793093 565640110 /nfs/dbraw/zinc/64/01/10/565640110.db2.gz NFNPERRGBURYAW-UHFFFAOYSA-N 0 1 397.236 3.373 20 0 GGADMN COC(=O)C[C@@](C)(NCc1ccc(OC)c(Br)c1)c1ccncc1 ZINC000191906728 565641703 /nfs/dbraw/zinc/64/17/03/565641703.db2.gz QHRSOJSNWVYTIF-GOSISDBHSA-N 0 1 393.281 3.421 20 0 GGADMN COC(=O)C[C@](C)(NCc1ccc(OC)c(Br)c1)c1ccncc1 ZINC000191906737 565641846 /nfs/dbraw/zinc/64/18/46/565641846.db2.gz QHRSOJSNWVYTIF-SFHVURJKSA-N 0 1 393.281 3.421 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC1(S(C)(=O)=O)CCC1 ZINC000279938719 565642062 /nfs/dbraw/zinc/64/20/62/565642062.db2.gz YSJARQUEHYTFIH-UHFFFAOYSA-N 0 1 381.929 3.199 20 0 GGADMN C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nnc[nH]1 ZINC000174540669 565642112 /nfs/dbraw/zinc/64/21/12/565642112.db2.gz BBYQOTSBSWHDSE-SECBINFHSA-N 0 1 375.841 3.263 20 0 GGADMN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174536992 565642396 /nfs/dbraw/zinc/64/23/96/565642396.db2.gz FFMFMOBOKKLALV-JTQLQIEISA-N 0 1 377.857 3.293 20 0 GGADMN C[C@@H](NC[C@@H](O)c1ccsc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279952426 565642846 /nfs/dbraw/zinc/64/28/46/565642846.db2.gz BXNISXNABHMGMI-AMIZOPFISA-N 0 1 395.333 3.087 20 0 GGADMN Cc1[nH]ncc1CCCN1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000279952451 565643101 /nfs/dbraw/zinc/64/31/01/565643101.db2.gz SZIPVTCLIXLALP-OAHLLOKOSA-N 0 1 381.263 3.121 20 0 GGADMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000328823604 565643571 /nfs/dbraw/zinc/64/35/71/565643571.db2.gz PMKCLKZNIUOYAA-INIZCTEOSA-N 0 1 379.551 3.223 20 0 GGADMN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(Br)cn1 ZINC000279963991 565643633 /nfs/dbraw/zinc/64/36/33/565643633.db2.gz CMTXPEZPROKLQK-CYBMUJFWSA-N 0 1 383.311 3.359 20 0 GGADMN NC(=O)[C@@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1cccc(Br)c1 ZINC000409867858 565645465 /nfs/dbraw/zinc/64/54/65/565645465.db2.gz BLDAANNIQOEMMI-HOTGVXAUSA-N 0 1 379.685 3.386 20 0 GGADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409875651 565645719 /nfs/dbraw/zinc/64/57/19/565645719.db2.gz SCODVICXSFCHGJ-UJMSNXRHSA-N 0 1 377.326 3.204 20 0 GGADMN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(Br)cc1O ZINC000174591349 565646164 /nfs/dbraw/zinc/64/61/64/565646164.db2.gz DCSLILKOCLGQRY-UHFFFAOYSA-N 0 1 390.237 3.327 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@H]2COCC[C@@H]21 ZINC000328876422 565646186 /nfs/dbraw/zinc/64/61/86/565646186.db2.gz SNJXOMRZKDTZGH-KBPBESRZSA-N 0 1 390.281 3.480 20 0 GGADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1 ZINC000279999978 565646263 /nfs/dbraw/zinc/64/62/63/565646263.db2.gz HTJQWQDLEOBNSB-UHFFFAOYSA-N 0 1 386.945 3.426 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CCN1C ZINC000409891100 565647735 /nfs/dbraw/zinc/64/77/35/565647735.db2.gz KHLJQUDSYDVPKZ-PBXUPMNYSA-N 0 1 377.326 3.204 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2sccc2OC)CC1 ZINC000191975184 565647727 /nfs/dbraw/zinc/64/77/27/565647727.db2.gz QJBKHSGUDCRYBH-UHFFFAOYSA-N 0 1 380.535 3.436 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)[C@H](C)CN1C ZINC000409893766 565647826 /nfs/dbraw/zinc/64/78/26/565647826.db2.gz AOHQZSWMJFHXDL-OMIIGZTASA-N 0 1 377.326 3.204 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CCN1C ZINC000409891101 565647858 /nfs/dbraw/zinc/64/78/58/565647858.db2.gz KHLJQUDSYDVPKZ-RLHHIGHOSA-N 0 1 377.326 3.204 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2sccc2Br)C1 ZINC000328936724 565648381 /nfs/dbraw/zinc/64/83/81/565648381.db2.gz JOCXNKBVZPCWST-PWSUYJOCSA-N 0 1 383.315 3.468 20 0 GGADMN O=S1(=O)CC[C@@H](CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000280064434 565649311 /nfs/dbraw/zinc/64/93/11/565649311.db2.gz PVYGHLZCYALHGH-AWEZNQCLSA-N 0 1 392.348 3.409 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(c2ccc3cc(Br)ccc3n2)C1 ZINC000329005445 565649622 /nfs/dbraw/zinc/64/96/22/565649622.db2.gz XGOOYFLNNDZBAN-HIFRSBDPSA-N 0 1 388.269 3.390 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)C1(c2cncc(Br)c2)CC1 ZINC000409925042 565650120 /nfs/dbraw/zinc/65/01/20/565650120.db2.gz VBDONCGTRVIHBN-UHFFFAOYSA-N 0 1 384.237 3.300 20 0 GGADMN Cc1nnc(SCCC(=O)NC2(c3ccc(Br)cc3)CC2)[nH]1 ZINC000174666470 565650653 /nfs/dbraw/zinc/65/06/53/565650653.db2.gz LFOAYJPFZXNVRA-UHFFFAOYSA-N 0 1 381.299 3.163 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1Sc1nncn1C ZINC000174667937 565650802 /nfs/dbraw/zinc/65/08/02/565650802.db2.gz OJDJYVRUDDOPBQ-UHFFFAOYSA-N 0 1 378.454 3.215 20 0 GGADMN O=C([C@H]1CCc2[nH]nnc2C1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000329024236 565650999 /nfs/dbraw/zinc/65/09/99/565650999.db2.gz JAGQHPXXLYJING-AWEZNQCLSA-N 0 1 389.297 3.111 20 0 GGADMN O=C([C@H]1CCc2nn[nH]c2C1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000329024236 565651003 /nfs/dbraw/zinc/65/10/03/565651003.db2.gz JAGQHPXXLYJING-AWEZNQCLSA-N 0 1 389.297 3.111 20 0 GGADMN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000329032733 565651053 /nfs/dbraw/zinc/65/10/53/565651053.db2.gz QEHAIENRWGFTKX-NSHDSACASA-N 0 1 384.864 3.043 20 0 GGADMN Cc1noc([C@H]2CCN(Cc3cc4c(cc3Br)OCCCO4)C2)n1 ZINC000329019372 565651105 /nfs/dbraw/zinc/65/11/05/565651105.db2.gz HIWVUDXGSSOCQT-LBPRGKRZSA-N 0 1 394.269 3.291 20 0 GGADMN Cc1noc([C@@H]2CCN(Cc3cc4c(cc3Br)OCCCO4)C2)n1 ZINC000329019363 565651164 /nfs/dbraw/zinc/65/11/64/565651164.db2.gz HIWVUDXGSSOCQT-GFCCVEGCSA-N 0 1 394.269 3.291 20 0 GGADMN CC(C)c1nnc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000192056057 565653291 /nfs/dbraw/zinc/65/32/91/565653291.db2.gz DRKPMKNSVZYSRD-DZGCQCFKSA-N 0 1 380.901 3.373 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(Br)cn2)n[nH]1 ZINC000280128728 565653966 /nfs/dbraw/zinc/65/39/66/565653966.db2.gz CHMVLHCVHVMLLH-ZJUUUORDSA-N 0 1 381.278 3.207 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000192065230 565654263 /nfs/dbraw/zinc/65/42/63/565654263.db2.gz DCEXUMJCADCFIK-APWZRJJASA-N 0 1 376.909 3.406 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(Br)cn2)n[nH]1 ZINC000280128724 565654347 /nfs/dbraw/zinc/65/43/47/565654347.db2.gz CHMVLHCVHVMLLH-UWVGGRQHSA-N 0 1 381.278 3.207 20 0 GGADMN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000174741447 565654719 /nfs/dbraw/zinc/65/47/19/565654719.db2.gz APZYSEAJKIZIQM-FQEVSTJZSA-N 0 1 392.271 3.126 20 0 GGADMN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1O ZINC000174732191 565654761 /nfs/dbraw/zinc/65/47/61/565654761.db2.gz CDZGATWRWMSJTA-UHFFFAOYSA-N 0 1 380.853 3.430 20 0 GGADMN C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000174740699 565654824 /nfs/dbraw/zinc/65/48/24/565654824.db2.gz JIRWYFACYNYHGO-HSZRJFAPSA-N 0 1 381.372 3.383 20 0 GGADMN C[C@@H](N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCCCO1 ZINC000280163652 565656386 /nfs/dbraw/zinc/65/63/86/565656386.db2.gz QUPJOWWHWHYYAL-IMSIIYSGSA-N 0 1 381.325 3.249 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(Br)cn2)cc1 ZINC000280196273 565657431 /nfs/dbraw/zinc/65/74/31/565657431.db2.gz SOTMDEDDNJSZRZ-RYUDHWBXSA-N 0 1 398.326 3.164 20 0 GGADMN CC1(CCNC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000280216936 565658805 /nfs/dbraw/zinc/65/88/05/565658805.db2.gz WWHKCPYMDSHAMS-UHFFFAOYSA-N 0 1 396.228 3.465 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)s1 ZINC000280201888 565659031 /nfs/dbraw/zinc/65/90/31/565659031.db2.gz FAQMLFPYNBCSIB-NVXWUHKLSA-N 0 1 377.535 3.065 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[nH]1 ZINC000174799401 565659582 /nfs/dbraw/zinc/65/95/82/565659582.db2.gz DLJRVLWTBMOODA-UHFFFAOYSA-N 0 1 379.555 3.365 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)n1 ZINC000174799401 565659587 /nfs/dbraw/zinc/65/95/87/565659587.db2.gz DLJRVLWTBMOODA-UHFFFAOYSA-N 0 1 379.555 3.365 20 0 GGADMN CCc1c(NC(=O)CSc2nnc(C)[nH]2)cnn1-c1cccc(Cl)c1 ZINC000192130511 565661414 /nfs/dbraw/zinc/66/14/14/565661414.db2.gz IGZGXOOBRULLIZ-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN CCc1c(NC(=O)CSc2nc(C)n[nH]2)cnn1-c1cccc(Cl)c1 ZINC000192130511 565661419 /nfs/dbraw/zinc/66/14/19/565661419.db2.gz IGZGXOOBRULLIZ-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(OCCOC)cc2)s1 ZINC000280272513 565662439 /nfs/dbraw/zinc/66/24/39/565662439.db2.gz XYXOMLIZFZHZLN-AWEZNQCLSA-N 0 1 383.535 3.418 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000625836536 565662739 /nfs/dbraw/zinc/66/27/39/565662739.db2.gz ISIVSSWCULGHTJ-AWEZNQCLSA-N 0 1 377.539 3.292 20 0 GGADMN Cc1noc(C)c1CCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280280433 565662799 /nfs/dbraw/zinc/66/27/99/565662799.db2.gz YNNGAYGVPMGSGW-MRVPVSSYSA-N 0 1 392.308 3.139 20 0 GGADMN Cn1cc2c(n1)CCC[C@@H]2NCc1cc(Br)c2c(c1)OCCO2 ZINC000280294144 565664002 /nfs/dbraw/zinc/66/40/02/565664002.db2.gz ZLVFUFMEFYVIKR-AWEZNQCLSA-N 0 1 378.270 3.121 20 0 GGADMN Cc1ccc2nc(CNC(=O)COc3ccc(Br)cc3F)[nH]c2c1 ZINC000174883495 565665003 /nfs/dbraw/zinc/66/50/03/565665003.db2.gz DZVZFMPWTCALHR-UHFFFAOYSA-N 0 1 392.228 3.468 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC000329429498 565665380 /nfs/dbraw/zinc/66/53/80/565665380.db2.gz HVSUFUSVLVULNN-FNODVLLQSA-N 0 1 387.336 3.407 20 0 GGADMN Cc1nnc([C@H]2CCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)[nH]1 ZINC000329429498 565665383 /nfs/dbraw/zinc/66/53/83/565665383.db2.gz HVSUFUSVLVULNN-FNODVLLQSA-N 0 1 387.336 3.407 20 0 GGADMN CC(C)[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCC1=O ZINC000174914028 565665702 /nfs/dbraw/zinc/66/57/02/565665702.db2.gz DOMQZEJIRGSAGH-CYBMUJFWSA-N 0 1 389.677 3.394 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CN[C@H](C)c2ccc(Br)cn2)c1 ZINC000280320321 565665714 /nfs/dbraw/zinc/66/57/14/565665714.db2.gz HAKDAUMGWRDVCD-MLGOLLRUSA-N 0 1 393.281 3.137 20 0 GGADMN COC(=O)c1cc(CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c[nH]1 ZINC000280330942 565665851 /nfs/dbraw/zinc/66/58/51/565665851.db2.gz RDCDNCFPVCYNOV-CQSZACIVSA-N 0 1 376.762 3.297 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)c2ccc(Br)cn2)c1 ZINC000280320318 565666060 /nfs/dbraw/zinc/66/60/60/565666060.db2.gz HAKDAUMGWRDVCD-BLLLJJGKSA-N 0 1 393.281 3.137 20 0 GGADMN C[C@@H]1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CCS1 ZINC000192177245 565666070 /nfs/dbraw/zinc/66/60/70/565666070.db2.gz MUUOLQXRFMMJBW-CYBMUJFWSA-N 0 1 376.444 3.071 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3CN(C(C)C)C[C@@H]3C)c2)n1 ZINC000410137137 565666154 /nfs/dbraw/zinc/66/61/54/565666154.db2.gz YJCPQCDONOROAI-GUYCJALGSA-N 0 1 379.551 3.126 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCOCC2(CC2)C1 ZINC000329431933 565666114 /nfs/dbraw/zinc/66/61/14/565666114.db2.gz HTEVCMYUPTXQPV-UHFFFAOYSA-N 0 1 376.254 3.092 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(Br)nn3C)c2C1 ZINC000192182440 565666658 /nfs/dbraw/zinc/66/66/58/565666658.db2.gz CJGVVBNZWCDBIE-UHFFFAOYSA-N 0 1 377.286 3.407 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)c3cc(Br)nn3C)c2C1 ZINC000192182440 565666660 /nfs/dbraw/zinc/66/66/60/565666660.db2.gz CJGVVBNZWCDBIE-UHFFFAOYSA-N 0 1 377.286 3.407 20 0 GGADMN C[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(Br)cn1 ZINC000280344116 565666721 /nfs/dbraw/zinc/66/67/21/565666721.db2.gz INWBXVVHKMHFGI-GXTWGEPZSA-N 0 1 390.281 3.416 20 0 GGADMN O=C(CCNC(=O)c1ccco1)Nc1cc(Cl)cc(Br)c1O ZINC000174922837 565666991 /nfs/dbraw/zinc/66/69/91/565666991.db2.gz OSQVOQZCMKAMSI-UHFFFAOYSA-N 0 1 387.617 3.160 20 0 GGADMN O=C(CCCNC(=O)C1CC1)Nc1cc(Cl)cc(Br)c1O ZINC000174921826 565667013 /nfs/dbraw/zinc/66/70/13/565667013.db2.gz DZMRMVUXFCYTIO-UHFFFAOYSA-N 0 1 375.650 3.053 20 0 GGADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000410142595 565667073 /nfs/dbraw/zinc/66/70/73/565667073.db2.gz YYHVWKCTHOLSIP-INIZCTEOSA-N 0 1 379.551 3.271 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc(N2CCCC2)nn1 ZINC000174915418 565667175 /nfs/dbraw/zinc/66/71/75/565667175.db2.gz KBKKCXCJFQSQBH-UHFFFAOYSA-N 0 1 397.660 3.451 20 0 GGADMN CC(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Br)c2O)CC1 ZINC000174916296 565667197 /nfs/dbraw/zinc/66/71/97/565667197.db2.gz LKIJPFFMAWXEBS-UHFFFAOYSA-N 0 1 375.650 3.005 20 0 GGADMN CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000174920228 565667465 /nfs/dbraw/zinc/66/74/65/565667465.db2.gz ZPRNCJDYNJZEIS-SECBINFHSA-N 0 1 389.677 3.395 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000174916243 565667506 /nfs/dbraw/zinc/66/75/06/565667506.db2.gz FMSYKKRSFONJTK-SNVBAGLBSA-N 0 1 394.269 3.129 20 0 GGADMN CCC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000174920209 565667583 /nfs/dbraw/zinc/66/75/83/565667583.db2.gz ZPRNCJDYNJZEIS-VIFPVBQESA-N 0 1 389.677 3.395 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(Br)cn1 ZINC000280344132 565667613 /nfs/dbraw/zinc/66/76/13/565667613.db2.gz INWBXVVHKMHFGI-TZMCWYRMSA-N 0 1 390.281 3.416 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174917356 565667754 /nfs/dbraw/zinc/66/77/54/565667754.db2.gz RQEBYSKITXIOFS-SSDOTTSWSA-N 0 1 377.666 3.297 20 0 GGADMN C[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CCS1 ZINC000192193796 565668187 /nfs/dbraw/zinc/66/81/87/565668187.db2.gz MOKNIZRTDHTRLY-LLVKDONJSA-N 0 1 377.373 3.296 20 0 GGADMN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N([C@@H]2CCc3nc[nH]c3C2)C1=O ZINC000329543801 565669557 /nfs/dbraw/zinc/66/95/57/565669557.db2.gz FQHVKCGKKVHMHY-BMLIUANNSA-N 0 1 379.247 3.245 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000174991198 565671133 /nfs/dbraw/zinc/67/11/33/565671133.db2.gz VNYNVSDLDATDQV-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN COc1ccc(Br)c(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)c1 ZINC000329564982 565671388 /nfs/dbraw/zinc/67/13/88/565671388.db2.gz HCRHSMRQWOPZKX-RHSMWYFYSA-N 0 1 394.269 3.434 20 0 GGADMN O=S(=O)(NC1CCN([C@H]2CCc3ccc(F)cc32)CC1)c1cccs1 ZINC000174985563 565671627 /nfs/dbraw/zinc/67/16/27/565671627.db2.gz IZAHOOLEDFQMFX-KRWDZBQOSA-N 0 1 380.510 3.317 20 0 GGADMN COc1ccc(Br)c(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)c1 ZINC000329564981 565671773 /nfs/dbraw/zinc/67/17/73/565671773.db2.gz HCRHSMRQWOPZKX-PBHICJAKSA-N 0 1 394.269 3.434 20 0 GGADMN COc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1Br ZINC000329615139 565672394 /nfs/dbraw/zinc/67/23/94/565672394.db2.gz SDSRHDLWJMKYPF-RHSMWYFYSA-N 0 1 394.269 3.434 20 0 GGADMN COc1ccc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cc1Br ZINC000329615139 565672399 /nfs/dbraw/zinc/67/23/99/565672399.db2.gz SDSRHDLWJMKYPF-RHSMWYFYSA-N 0 1 394.269 3.434 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000175027711 565674693 /nfs/dbraw/zinc/67/46/93/565674693.db2.gz RWGHGJHGIZVOGG-WDEREUQCSA-N 0 1 383.315 3.009 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)s1 ZINC000175027782 565674850 /nfs/dbraw/zinc/67/48/50/565674850.db2.gz KGHMKCPZJOKLGE-GHMZBOCLSA-N 0 1 383.315 3.090 20 0 GGADMN C[C@]12CCCN1C[C@H](c1noc(-c3n[nH]c(C4CC4)c3Br)n1)OC2 ZINC000329657982 565675052 /nfs/dbraw/zinc/67/50/52/565675052.db2.gz HAYQKENGOHVLKQ-QLJPJBMISA-N 0 1 394.273 3.025 20 0 GGADMN CN1CCCN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000280511294 565676513 /nfs/dbraw/zinc/67/65/13/565676513.db2.gz NDPCTHAWNYWZJD-UHFFFAOYSA-N 0 1 396.314 3.137 20 0 GGADMN Cc1cccc2oc(CCN[C@H](C(N)=O)c3ccc(Br)cc3)nc21 ZINC000410320927 565676618 /nfs/dbraw/zinc/67/66/18/565676618.db2.gz XHZCLPBUZKZCJW-KRWDZBQOSA-N 0 1 388.265 3.257 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC000410356935 565679121 /nfs/dbraw/zinc/67/91/21/565679121.db2.gz XXDJIXXNVSPIRL-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410363221 565679589 /nfs/dbraw/zinc/67/95/89/565679589.db2.gz ZUIODWGQYBDXEL-UHFFFAOYSA-N 0 1 382.869 3.243 20 0 GGADMN C[S@](=O)C1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CCC1 ZINC000280548186 565680060 /nfs/dbraw/zinc/68/00/60/565680060.db2.gz DPBOJJFWNDTJSK-QFIPXVFZSA-N 0 1 382.327 3.230 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000410384868 565680570 /nfs/dbraw/zinc/68/05/70/565680570.db2.gz WIVWYMZNXFFERG-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)c2)n1 ZINC000410390908 565681765 /nfs/dbraw/zinc/68/17/65/565681765.db2.gz SSIQRUXUBSKPRP-INIZCTEOSA-N 0 1 381.567 3.373 20 0 GGADMN O=C(CN[C@H]1CCCc2c(O)cccc21)Nc1ccc(Br)cn1 ZINC000192351347 565681821 /nfs/dbraw/zinc/68/18/21/565681821.db2.gz ABHCKAPKDWGPFK-AWEZNQCLSA-N 0 1 376.254 3.155 20 0 GGADMN CC(C)Cc1ncc(NS(=O)(=O)c2cccc(Br)c2F)cn1 ZINC000410396881 565681891 /nfs/dbraw/zinc/68/18/91/565681891.db2.gz IUMODKSOONMQPP-UHFFFAOYSA-N 0 1 388.262 3.378 20 0 GGADMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410394037 565682155 /nfs/dbraw/zinc/68/21/55/565682155.db2.gz SXLQKMNANINNJJ-UHFFFAOYSA-N 0 1 390.795 3.150 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@H]1CCCN(c2ccccc2)C1 ZINC000175158461 565682043 /nfs/dbraw/zinc/68/20/43/565682043.db2.gz LPSDEBBCQWJGGY-ZDUSSCGKSA-N 0 1 380.564 3.420 20 0 GGADMN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410394963 565682272 /nfs/dbraw/zinc/68/22/72/565682272.db2.gz IRXPSAJIUSPJNV-UHFFFAOYSA-N 0 1 386.832 3.166 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[nH]1 ZINC000280611070 565683894 /nfs/dbraw/zinc/68/38/94/565683894.db2.gz PLJACKANNXOGFU-GXFFZTMASA-N 0 1 399.289 3.169 20 0 GGADMN Cc1noc(C)c1CN1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175192922 565684039 /nfs/dbraw/zinc/68/40/39/565684039.db2.gz OTMVWQHHVCZDNI-UHFFFAOYSA-N 0 1 384.263 3.262 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)c(C)s1 ZINC000410411658 565684211 /nfs/dbraw/zinc/68/42/11/565684211.db2.gz RWUUEZNVQVZEIP-UHFFFAOYSA-N 0 1 385.898 3.349 20 0 GGADMN NC(=O)C[C@@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000175210749 565684518 /nfs/dbraw/zinc/68/45/18/565684518.db2.gz ZUKMYXXXENYJJD-LBPRGKRZSA-N 0 1 378.270 3.192 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2cn(C)nc2-c2ccccc2)s1 ZINC000280624744 565684772 /nfs/dbraw/zinc/68/47/72/565684772.db2.gz PUOZCOKAFWKXKW-UHFFFAOYSA-N 0 1 375.519 3.232 20 0 GGADMN CN1C(=S)N=NC1C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000175222243 565685583 /nfs/dbraw/zinc/68/55/83/565685583.db2.gz XWWNULYTEJKWJK-UHFFFAOYSA-N 0 1 387.292 3.136 20 0 GGADMN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1c(O)cc(Cl)cc1Cl ZINC000175221925 565685615 /nfs/dbraw/zinc/68/56/15/565685615.db2.gz UTHQSBGAOCEEFC-SECBINFHSA-N 0 1 392.185 3.147 20 0 GGADMN COC(=O)c1nscc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000410423158 565685595 /nfs/dbraw/zinc/68/55/95/565685595.db2.gz NHDXKRQAXZOOLS-UHFFFAOYSA-N 0 1 385.225 3.176 20 0 GGADMN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1c(O)cc(Cl)cc1Cl ZINC000175221941 565686045 /nfs/dbraw/zinc/68/60/45/565686045.db2.gz UTHQSBGAOCEEFC-VIFPVBQESA-N 0 1 392.185 3.147 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)n1 ZINC000280648728 565686147 /nfs/dbraw/zinc/68/61/47/565686147.db2.gz NXJVSMPQJZXHDR-UHFFFAOYSA-N 0 1 380.235 3.356 20 0 GGADMN NC(=O)C[C@@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000175219397 565686104 /nfs/dbraw/zinc/68/61/04/565686104.db2.gz GLIHOQMGCRBMQG-LBPRGKRZSA-N 0 1 378.270 3.192 20 0 GGADMN O=C(NCCCc1nnc2n1CCCCC2)c1c(O)cc(Cl)cc1Cl ZINC000175216374 565686240 /nfs/dbraw/zinc/68/62/40/565686240.db2.gz GFKCPEMYSJPEAU-UHFFFAOYSA-N 0 1 383.279 3.380 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000175223725 565686287 /nfs/dbraw/zinc/68/62/87/565686287.db2.gz IPSSBBWZSJXYGX-SNVBAGLBSA-N 0 1 381.263 3.257 20 0 GGADMN C[C@@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@@H](C2CC2)O1 ZINC000329944865 565687354 /nfs/dbraw/zinc/68/73/54/565687354.db2.gz WZHDTPAGJOWWSP-RISCZKNCSA-N 0 1 390.281 3.479 20 0 GGADMN Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000175250823 565688247 /nfs/dbraw/zinc/68/82/47/565688247.db2.gz KBTDJEYORBHHMG-HNNXBMFYSA-N 0 1 382.526 3.386 20 0 GGADMN CN1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C2(CCCCC2)C1 ZINC000329994583 565688462 /nfs/dbraw/zinc/68/84/62/565688462.db2.gz ZKOWXLAFMZTJHL-UHFFFAOYSA-N 0 1 391.313 3.416 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ncc(Br)s1 ZINC000192423293 565688772 /nfs/dbraw/zinc/68/87/72/565688772.db2.gz VFERELMULQYOME-ZDUSSCGKSA-N 0 1 380.311 3.300 20 0 GGADMN C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1nnc[nH]1 ZINC000280711937 565690508 /nfs/dbraw/zinc/69/05/08/565690508.db2.gz MLCIBVDGCBLMHK-FBIMIBRVSA-N 0 1 382.237 3.013 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2C)s1 ZINC000280721683 565690530 /nfs/dbraw/zinc/69/05/30/565690530.db2.gz YBZDVPDJXNGAGA-AWEZNQCLSA-N 0 1 380.535 3.357 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(Br)c(C)c2)CCN1C[C@@H](C)O ZINC000175288519 565690792 /nfs/dbraw/zinc/69/07/92/565690792.db2.gz FWHDYCOGDOUZAC-UKRRQHHQSA-N 0 1 384.318 3.066 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CSC(F)(F)F ZINC000175300660 565691857 /nfs/dbraw/zinc/69/18/57/565691857.db2.gz XAMZGZIVRJZNKX-UHFFFAOYSA-N 0 1 377.432 3.029 20 0 GGADMN C[C@H]1C[C@H](NC(=O)c2ncc(Br)s2)CN1Cc1ccccc1 ZINC000192433718 565691810 /nfs/dbraw/zinc/69/18/10/565691810.db2.gz CRCRKAWBPPFNLZ-AAEUAGOBSA-N 0 1 380.311 3.298 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)c2ccccc2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC000280735130 565692250 /nfs/dbraw/zinc/69/22/50/565692250.db2.gz HLMZASWJXBQBLO-ZOCIIQOWSA-N 0 1 381.925 3.446 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)c2ccccc2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280735122 565692391 /nfs/dbraw/zinc/69/23/91/565692391.db2.gz HLMZASWJXBQBLO-MDASCCDHSA-N 0 1 381.925 3.446 20 0 GGADMN O=C(CCc1cnc[nH]1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000280743852 565692854 /nfs/dbraw/zinc/69/28/54/565692854.db2.gz KFOBAZIFGBLKPH-INIZCTEOSA-N 0 1 377.286 3.208 20 0 GGADMN O=C(CCc1cnc[nH]1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000280743856 565692929 /nfs/dbraw/zinc/69/29/29/565692929.db2.gz KFOBAZIFGBLKPH-MRXNPFEDSA-N 0 1 377.286 3.208 20 0 GGADMN COC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccc(C)o1 ZINC000175348687 565695381 /nfs/dbraw/zinc/69/53/81/565695381.db2.gz LMYDTAUMXAOUOJ-LBPRGKRZSA-N 0 1 381.347 3.412 20 0 GGADMN O=C1O[C@@H](CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC12CCC2 ZINC000280781259 565695574 /nfs/dbraw/zinc/69/55/74/565695574.db2.gz QAKCJWVTYWFRNV-BXUZGUMPSA-N 0 1 377.790 3.468 20 0 GGADMN Cc1nc(C(=O)Nc2ccc(C)c(N3CC[NH+]=C3[O-])c2)c(Br)s1 ZINC000410786623 565696237 /nfs/dbraw/zinc/69/62/37/565696237.db2.gz PMGRVXSCIUXHQF-UHFFFAOYSA-N 0 1 395.282 3.304 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)c2cccc(Cl)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280793526 565696785 /nfs/dbraw/zinc/69/67/85/565696785.db2.gz JRZNPPXDYGYHDG-MDASCCDHSA-N 0 1 381.925 3.446 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000330207233 565696962 /nfs/dbraw/zinc/69/69/62/565696962.db2.gz AECHZYIVBTXGMH-BZNIZROVSA-N 0 1 377.897 3.395 20 0 GGADMN O=C(Cc1ccn[nH]1)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000175391549 565697049 /nfs/dbraw/zinc/69/70/49/565697049.db2.gz WWVJRPQDULCPFG-HNNXBMFYSA-N 0 1 381.263 3.279 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)c2cccc(Cl)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280793530 565696984 /nfs/dbraw/zinc/69/69/84/565696984.db2.gz JRZNPPXDYGYHDG-ZOCIIQOWSA-N 0 1 381.925 3.446 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)CCN1 ZINC000175392068 565697235 /nfs/dbraw/zinc/69/72/35/565697235.db2.gz RHPMRTGKFVBNKW-UHFFFAOYSA-N 0 1 393.281 3.445 20 0 GGADMN CC1(C)CN(C(=O)c2csc(-c3ccc(Br)s3)n2)CCN1 ZINC000175411189 565698311 /nfs/dbraw/zinc/69/83/11/565698311.db2.gz OUANPEZPHKKURS-UHFFFAOYSA-N 0 1 386.340 3.458 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CCN1 ZINC000175429035 565699936 /nfs/dbraw/zinc/69/99/36/565699936.db2.gz MMTLOLPMXCDOJJ-UHFFFAOYSA-N 0 1 390.281 3.460 20 0 GGADMN CC(C)c1nc(CNC2(c3ccc(Br)cc3)CCOCC2)n[nH]1 ZINC000330311603 565700982 /nfs/dbraw/zinc/70/09/82/565700982.db2.gz NXLRHWKFOIWHKA-UHFFFAOYSA-N 0 1 379.302 3.486 20 0 GGADMN C[C@]1(C(N)=O)CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000280872565 565701131 /nfs/dbraw/zinc/70/11/31/565701131.db2.gz ZQCDSCYJEVTESR-INIZCTEOSA-N 0 1 380.311 3.270 20 0 GGADMN CC(C)(CNC(=O)c1ncccc1Br)N1CCc2ccccc2C1 ZINC000192603102 565701358 /nfs/dbraw/zinc/70/13/58/565701358.db2.gz ADFPFJFGGJBIIY-UHFFFAOYSA-N 0 1 388.309 3.411 20 0 GGADMN OC[C@H](CN[C@H](c1ccco1)c1ccc(Br)cc1)[C@H]1CCOC1 ZINC000280885937 565701544 /nfs/dbraw/zinc/70/15/44/565701544.db2.gz OQOFFSHTEOXBIE-MPGHIAIKSA-N 0 1 380.282 3.366 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000175495603 565703012 /nfs/dbraw/zinc/70/30/12/565703012.db2.gz PEICKHBMVHPHNN-GFCCVEGCSA-N 0 1 378.270 3.338 20 0 GGADMN CCN(CC)C(=O)CN1CCCN(CCSc2ccc(Cl)cc2)CC1 ZINC000192630779 565703243 /nfs/dbraw/zinc/70/32/43/565703243.db2.gz QSPZZESRTGOJCE-UHFFFAOYSA-N 0 1 383.989 3.308 20 0 GGADMN CC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280943582 565704410 /nfs/dbraw/zinc/70/44/10/565704410.db2.gz SSBHFGPIKPRHSD-BDJLRTHQSA-N 0 1 384.933 3.092 20 0 GGADMN CC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280943583 565704724 /nfs/dbraw/zinc/70/47/24/565704724.db2.gz SSBHFGPIKPRHSD-BZNIZROVSA-N 0 1 384.933 3.092 20 0 GGADMN COc1cccc(CNC[C@H](O)COc2ccccc2Br)c1F ZINC000192696735 565706655 /nfs/dbraw/zinc/70/66/55/565706655.db2.gz BECASFUTYLLVND-ZDUSSCGKSA-N 0 1 384.245 3.126 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@]1(C)CCCO1 ZINC000411045420 565707425 /nfs/dbraw/zinc/70/74/25/565707425.db2.gz CZJPFLVVUXGCHG-SCLBCKFNSA-N 0 1 396.329 3.097 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](C)c3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000175550512 565708306 /nfs/dbraw/zinc/70/83/06/565708306.db2.gz DWNOJLVYNZVEHC-RNCFNFMXSA-N 0 1 384.267 3.264 20 0 GGADMN O=C(CNC(=O)C1CCCCC1)Nc1cc(Cl)cc(Br)c1O ZINC000330492036 565708599 /nfs/dbraw/zinc/70/85/99/565708599.db2.gz ORSQRARMLYGWRK-UHFFFAOYSA-N 0 1 389.677 3.443 20 0 GGADMN CN(C)[C@H](CNC(=O)C1(c2cncc(Br)c2)CC1)c1cccs1 ZINC000281029831 565708616 /nfs/dbraw/zinc/70/86/16/565708616.db2.gz BZJAXBKAPUJSSO-CQSZACIVSA-N 0 1 394.338 3.356 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000175568079 565709595 /nfs/dbraw/zinc/70/95/95/565709595.db2.gz JDGFQQHEZRBZSS-KGLIPLIRSA-N 0 1 386.323 3.418 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000175568124 565709716 /nfs/dbraw/zinc/70/97/16/565709716.db2.gz JDGFQQHEZRBZSS-ZIAGYGMSSA-N 0 1 386.323 3.418 20 0 GGADMN CC[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1O)N1CCCC1=O ZINC000330501841 565710288 /nfs/dbraw/zinc/71/02/88/565710288.db2.gz BAIPFKXPMBXCSG-NSHDSACASA-N 0 1 375.650 3.148 20 0 GGADMN Cc1sc(Br)nc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000281069934 565710906 /nfs/dbraw/zinc/71/09/06/565710906.db2.gz ZSLNDLSHCRRNBD-UHFFFAOYSA-N 0 1 395.326 3.003 20 0 GGADMN CC(C)(C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)S(C)(=O)=O ZINC000411099030 565710999 /nfs/dbraw/zinc/71/09/99/565710999.db2.gz SOCHJSBUKHUKQW-AWEZNQCLSA-N 0 1 383.901 3.093 20 0 GGADMN O=S(=O)(CCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000192813869 565712545 /nfs/dbraw/zinc/71/25/45/565712545.db2.gz HIKKZRWAMKWBGS-ROUUACIJSA-N 0 1 383.872 3.373 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(F)c(Br)c1 ZINC000175672990 565714680 /nfs/dbraw/zinc/71/46/80/565714680.db2.gz UFTAMUUSBOOSMW-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(Br)c(F)c1 ZINC000175669909 565714705 /nfs/dbraw/zinc/71/47/05/565714705.db2.gz MFNPKULRIAXNPZ-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CC(C)[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000330628229 565714712 /nfs/dbraw/zinc/71/47/12/565714712.db2.gz LIJNZBWIVRBIMQ-NOZJJQNGSA-N 0 1 398.269 3.209 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3cc4sc(N5CCCC5)nc4s3)[C@H]2C1 ZINC000281174856 565715482 /nfs/dbraw/zinc/71/54/82/565715482.db2.gz LLWOMRNJTQVWOY-OLZOCXBDSA-N 0 1 376.551 3.124 20 0 GGADMN CCOC(=O)C1CCC(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000330667375 565718294 /nfs/dbraw/zinc/71/82/94/565718294.db2.gz IYGCWPSBWCQMCJ-UHFFFAOYSA-N 0 1 381.828 3.018 20 0 GGADMN CS(=O)(=O)C1(CN[C@@H]2CCCOc3cc(Br)ccc32)CCC1 ZINC000281257741 565719762 /nfs/dbraw/zinc/71/97/62/565719762.db2.gz WHMPYQIGKKCILH-CQSZACIVSA-N 0 1 388.327 3.220 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000192947485 565721075 /nfs/dbraw/zinc/72/10/75/565721075.db2.gz PWJRNNCKAYUPFH-SECBINFHSA-N 0 1 375.841 3.345 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000175757289 565721553 /nfs/dbraw/zinc/72/15/53/565721553.db2.gz YEHFRNOTTSWMBM-LBPRGKRZSA-N 0 1 387.265 3.198 20 0 GGADMN NS(=O)(=O)C[C@H]1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411312075 565723715 /nfs/dbraw/zinc/72/37/15/565723715.db2.gz YMFYORBUVYJPBA-HNAYVOBHSA-N 0 1 378.925 3.430 20 0 GGADMN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1Cl ZINC000330814562 565724048 /nfs/dbraw/zinc/72/40/48/565724048.db2.gz CTXLEHYROGQOFI-UHFFFAOYSA-N 0 1 378.199 3.383 20 0 GGADMN CSc1ccc(OC[C@@H](O)CN(C)Cc2cc(Br)cn2C)cc1 ZINC000411317279 565724196 /nfs/dbraw/zinc/72/41/96/565724196.db2.gz ODJZTHGGWSHYJT-HNNXBMFYSA-N 0 1 399.354 3.381 20 0 GGADMN NS(=O)(=O)C[C@H]1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411312077 565724368 /nfs/dbraw/zinc/72/43/68/565724368.db2.gz YMFYORBUVYJPBA-KXBFYZLASA-N 0 1 378.925 3.430 20 0 GGADMN CSc1ccc(OC[C@H](O)CN(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000411339969 565724610 /nfs/dbraw/zinc/72/46/10/565724610.db2.gz ZPMXQQSSEAOVKY-CPJLOUKISA-N 0 1 379.547 3.018 20 0 GGADMN CSc1ccc(OC[C@@H](O)CN(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000411339972 565724773 /nfs/dbraw/zinc/72/47/73/565724773.db2.gz ZPMXQQSSEAOVKY-IVCQMTBJSA-N 0 1 379.547 3.018 20 0 GGADMN CC[C@@H](NCc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccc(Cl)cc1 ZINC000281339423 565724655 /nfs/dbraw/zinc/72/46/55/565724655.db2.gz QNMMXOGKTNASOK-GOSISDBHSA-N 0 1 383.945 3.439 20 0 GGADMN CC[C@H](NCc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccc(Cl)cc1 ZINC000281339428 565724853 /nfs/dbraw/zinc/72/48/53/565724853.db2.gz QNMMXOGKTNASOK-SFHVURJKSA-N 0 1 383.945 3.439 20 0 GGADMN CSc1cc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1Cl ZINC000411330041 565725009 /nfs/dbraw/zinc/72/50/09/565725009.db2.gz UZCASAFBQIVYIJ-VIFPVBQESA-N 0 1 381.889 3.119 20 0 GGADMN CSc1ccc(OC[C@@H](O)CN(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000411339976 565725369 /nfs/dbraw/zinc/72/53/69/565725369.db2.gz ZPMXQQSSEAOVKY-LMKMVOKYSA-N 0 1 379.547 3.018 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000175848239 565727459 /nfs/dbraw/zinc/72/74/59/565727459.db2.gz HOBAFKFQQPACIF-ZWKOTPCHSA-N 0 1 383.319 3.420 20 0 GGADMN Cc1csc2nc(CN3CCC[C@H]3C[C@H](O)c3cccs3)cc(=O)n12 ZINC000175844682 565727475 /nfs/dbraw/zinc/72/74/75/565727475.db2.gz VGLBIRFTGFCEKY-GJZGRUSLSA-N 0 1 375.519 3.214 20 0 GGADMN Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)c(Cl)n1 ZINC000193037018 565727851 /nfs/dbraw/zinc/72/78/51/565727851.db2.gz UEPOGFIHLAQSJR-UHFFFAOYSA-N 0 1 379.913 3.333 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175857285 565728089 /nfs/dbraw/zinc/72/80/89/565728089.db2.gz OSPLYKOKUUCBNR-CYBMUJFWSA-N 0 1 387.307 3.084 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CCN1CCC(O)(C(F)(F)F)CC1 ZINC000411412686 565728132 /nfs/dbraw/zinc/72/81/32/565728132.db2.gz XQRDVDPHKQTFAP-UHFFFAOYSA-N 0 1 380.794 3.066 20 0 GGADMN O=C(CSc1cc(Cl)ccc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000175859985 565728488 /nfs/dbraw/zinc/72/84/88/565728488.db2.gz XXZKPDMVUBWYFL-UHFFFAOYSA-N 0 1 389.348 3.409 20 0 GGADMN NS(=O)(=O)CC1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411418003 565728603 /nfs/dbraw/zinc/72/86/03/565728603.db2.gz JHKKHZVTPGAUGR-IBGZPJMESA-N 0 1 378.925 3.430 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175853523 565728873 /nfs/dbraw/zinc/72/88/73/565728873.db2.gz DQFOTAOTEMEBNX-ZDUSSCGKSA-N 0 1 387.307 3.084 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000175862250 565730124 /nfs/dbraw/zinc/73/01/24/565730124.db2.gz HNCKCEYOMUEJTC-GOSISDBHSA-N 0 1 385.265 3.406 20 0 GGADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000281431618 565730714 /nfs/dbraw/zinc/73/07/14/565730714.db2.gz JKNNRRYCUJZORL-ZBFHGGJFSA-N 0 1 384.929 3.038 20 0 GGADMN C[C@@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000411472547 565731086 /nfs/dbraw/zinc/73/10/86/565731086.db2.gz TXPPZHXBYBFTGE-MRVPVSSYSA-N 0 1 386.201 3.422 20 0 GGADMN CSc1ccc([C@@H](C)NCc2c(C)nn(CCS(C)(=O)=O)c2C)cc1 ZINC000281451304 565731372 /nfs/dbraw/zinc/73/13/72/565731372.db2.gz QOVMSEVDHLWDEZ-CYBMUJFWSA-N 0 1 381.567 3.117 20 0 GGADMN C[C@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc(Cl)c1Cl ZINC000411472548 565731562 /nfs/dbraw/zinc/73/15/62/565731562.db2.gz TXPPZHXBYBFTGE-QMMMGPOBSA-N 0 1 386.201 3.422 20 0 GGADMN O=c1nc(C[NH2+][C@H](CCO)c2ccccc2Br)[n-]c2ccsc21 ZINC000411515590 565733265 /nfs/dbraw/zinc/73/32/65/565733265.db2.gz ZRXIJXWQLSRVKD-GFCCVEGCSA-N 0 1 394.294 3.373 20 0 GGADMN O=C(CCN[C@@H](CCO)c1ccccc1Br)Nc1ccccc1 ZINC000411509480 565733588 /nfs/dbraw/zinc/73/35/88/565733588.db2.gz LTHSWPDCTREVBM-KRWDZBQOSA-N 0 1 377.282 3.491 20 0 GGADMN NC(=O)[C@H]1CCCC[C@H]1NCc1c(F)c(F)c(Br)c(F)c1F ZINC000411542064 565734390 /nfs/dbraw/zinc/73/43/90/565734390.db2.gz PNXAEAIAECETKT-POYBYMJQSA-N 0 1 383.183 3.139 20 0 GGADMN O=C(CN[C@H](CC1CC1)c1cc(F)cc(Br)c1)NC[C@H]1CCCO1 ZINC000411566343 565736436 /nfs/dbraw/zinc/73/64/36/565736436.db2.gz GPSDANHGPCFJGW-IAGOWNOFSA-N 0 1 399.304 3.314 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000175975953 565737494 /nfs/dbraw/zinc/73/74/94/565737494.db2.gz SBIKEAYQNNNRAW-TXEJJXNPSA-N 0 1 376.831 3.171 20 0 GGADMN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(c2nnc[nH]2)CCC1 ZINC000193190015 565737665 /nfs/dbraw/zinc/73/76/65/565737665.db2.gz BYBBLBDDLDLZKQ-UHFFFAOYSA-N 0 1 379.898 3.381 20 0 GGADMN Cc1cc(Br)cn2cc(CCNCc3ncc(Cl)n3C)nc12 ZINC000281569717 565738182 /nfs/dbraw/zinc/73/81/82/565738182.db2.gz CNEDAEXRLBOWKD-UHFFFAOYSA-N 0 1 382.693 3.124 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2Br)n[nH]1 ZINC000331156494 565741986 /nfs/dbraw/zinc/74/19/86/565741986.db2.gz PZLGOLHRTDKFGK-BDAKNGLRSA-N 0 1 383.294 3.418 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cccc(Br)c1Cl ZINC000411645862 565742090 /nfs/dbraw/zinc/74/20/90/565742090.db2.gz PAYDGAGFYMUDTK-QWHCGFSZSA-N 0 1 395.750 3.053 20 0 GGADMN O=C(CCN[C@H](CO)c1cccc(Cl)c1F)N1CCc2sccc2C1 ZINC000411666848 565743850 /nfs/dbraw/zinc/74/38/50/565743850.db2.gz HKIRPNUBHFOHBK-OAHLLOKOSA-N 0 1 382.888 3.139 20 0 GGADMN O=C(NCC1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1)C(F)(F)F ZINC000281761068 565747145 /nfs/dbraw/zinc/74/71/45/565747145.db2.gz QEKRLNDAZGEZDN-UHFFFAOYSA-N 0 1 384.732 3.149 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Br)s1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000331231307 565748112 /nfs/dbraw/zinc/74/81/12/565748112.db2.gz QNQVLTHNACCCEP-HBNTYKKESA-N 0 1 388.331 3.324 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)c(Cl)c1Cl ZINC000331219633 565748376 /nfs/dbraw/zinc/74/83/76/565748376.db2.gz AWZCIABQNRRGRU-LLVKDONJSA-N 0 1 381.325 3.153 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Br)s1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000331231306 565748542 /nfs/dbraw/zinc/74/85/42/565748542.db2.gz QNQVLTHNACCCEP-GARJFASQSA-N 0 1 388.331 3.324 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H]2CCCN(C(C)C)C2)c(Cl)c1Cl ZINC000331219634 565748572 /nfs/dbraw/zinc/74/85/72/565748572.db2.gz AWZCIABQNRRGRU-NSHDSACASA-N 0 1 381.325 3.153 20 0 GGADMN Cc1nc([C@H](C)N[C@@H](C)c2ccc(Br)cc2OCCCO)n[nH]1 ZINC000411743709 565749146 /nfs/dbraw/zinc/74/91/46/565749146.db2.gz IXJDKBXIGZLNAR-QWRGUYRKSA-N 0 1 383.290 3.049 20 0 GGADMN Cc1nc([C@H](C)N[C@H](C)c2ccc(Br)cc2OCCCO)n[nH]1 ZINC000411743706 565749697 /nfs/dbraw/zinc/74/96/97/565749697.db2.gz IXJDKBXIGZLNAR-MNOVXSKESA-N 0 1 383.290 3.049 20 0 GGADMN CSc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1Cl ZINC000176119611 565751178 /nfs/dbraw/zinc/75/11/78/565751178.db2.gz RPHNSLXQARIXEC-MRXNPFEDSA-N 0 1 384.977 3.455 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(SC)c(Cl)c3)C2)CC1 ZINC000176115051 565751222 /nfs/dbraw/zinc/75/12/22/565751222.db2.gz RYHGLZGFWJREJC-OAHLLOKOSA-N 0 1 382.961 3.306 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Br)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000331298071 565752657 /nfs/dbraw/zinc/75/26/57/565752657.db2.gz PDNIGDGWSBUDJJ-VHSXEESVSA-N 0 1 388.331 3.324 20 0 GGADMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000331295820 565753284 /nfs/dbraw/zinc/75/32/84/565753284.db2.gz SMNACOXTURTLIC-XUJVJEKNSA-N 0 1 380.286 3.480 20 0 GGADMN CCn1cc(Br)cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176150926 565753271 /nfs/dbraw/zinc/75/32/71/565753271.db2.gz MBIDZBCJGKMJJV-UHFFFAOYSA-N 0 1 379.233 3.258 20 0 GGADMN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1nnc[nH]1 ZINC000176166381 565754603 /nfs/dbraw/zinc/75/46/03/565754603.db2.gz YIZOIARITHVQPJ-AWEZNQCLSA-N 0 1 379.302 3.431 20 0 GGADMN COCCn1cc(CNCc2ccc(Br)c3cccnc23)cn1 ZINC000281906441 565755301 /nfs/dbraw/zinc/75/53/01/565755301.db2.gz FXYRLWMPXLOESO-UHFFFAOYSA-N 0 1 375.270 3.130 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Cl)nc3C)cc2C[C@@H]1C ZINC000193498486 565755892 /nfs/dbraw/zinc/75/58/92/565755892.db2.gz VOPMITCFJIHFMB-JTQLQIEISA-N 0 1 379.869 3.142 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(Cl)nc3C)cc2C[C@H]1C ZINC000193498501 565756427 /nfs/dbraw/zinc/75/64/27/565756427.db2.gz VOPMITCFJIHFMB-SNVBAGLBSA-N 0 1 379.869 3.142 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000331376459 565757624 /nfs/dbraw/zinc/75/76/24/565757624.db2.gz CDPLWFFCSPTNGR-SMDDNHRTSA-N 0 1 378.270 3.442 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000281967060 565757766 /nfs/dbraw/zinc/75/77/66/565757766.db2.gz LINNLHWUAOJJCG-UHFFFAOYSA-N 0 1 384.860 3.425 20 0 GGADMN C[C@H](NC(=O)c1csc(-c2ccc(Br)s2)n1)c1nnc[nH]1 ZINC000176219173 565758772 /nfs/dbraw/zinc/75/87/72/565758772.db2.gz JQXADPAYVBJNHC-LURJTMIESA-N 0 1 384.284 3.243 20 0 GGADMN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000331485589 565761413 /nfs/dbraw/zinc/76/14/13/565761413.db2.gz BMHGARYCKSXYHC-HNAYVOBHSA-N 0 1 385.335 3.279 20 0 GGADMN Fc1ccc(Br)c(F)c1CNC1CCN(c2cccnn2)CC1 ZINC000282046517 565762960 /nfs/dbraw/zinc/76/29/60/565762960.db2.gz PDVHIRIPORSHOB-UHFFFAOYSA-N 0 1 383.240 3.276 20 0 GGADMN CN(C)C(=O)[C@H]1CCN(Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000411955523 565763346 /nfs/dbraw/zinc/76/33/46/565763346.db2.gz QJCDOZDXOMZCEL-ZDUSSCGKSA-N 0 1 394.338 3.483 20 0 GGADMN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000411966479 565763608 /nfs/dbraw/zinc/76/36/08/565763608.db2.gz LOOGQSJPBYGUBB-GOSISDBHSA-N 0 1 377.257 3.217 20 0 GGADMN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2c(F)cccc2Br)C1 ZINC000411968848 565763742 /nfs/dbraw/zinc/76/37/42/565763742.db2.gz PCPSVVNHJJBAIC-SFHVURJKSA-N 0 1 377.257 3.217 20 0 GGADMN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(F)c(Br)c2)C1 ZINC000411966484 565763993 /nfs/dbraw/zinc/76/39/93/565763993.db2.gz LOOGQSJPBYGUBB-SFHVURJKSA-N 0 1 377.257 3.217 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000176311007 565764189 /nfs/dbraw/zinc/76/41/89/565764189.db2.gz OCRPZVXTHXSQOR-JTQLQIEISA-N 0 1 375.694 3.222 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cc(F)c(Br)cc1Cl ZINC000331521305 565764429 /nfs/dbraw/zinc/76/44/29/565764429.db2.gz VGANLTNFARXLQF-UHFFFAOYSA-N 0 1 394.672 3.085 20 0 GGADMN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(Br)cc2F)C1 ZINC000411973682 565764879 /nfs/dbraw/zinc/76/48/79/565764879.db2.gz XMIBYJFCBDQZDC-SFHVURJKSA-N 0 1 377.257 3.217 20 0 GGADMN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(Br)ccc2F)C1 ZINC000411974902 565765079 /nfs/dbraw/zinc/76/50/79/565765079.db2.gz ZDVFEAZEZZHUPM-SFHVURJKSA-N 0 1 377.257 3.217 20 0 GGADMN COC1([C@@H](C)NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCC1 ZINC000412019107 565766399 /nfs/dbraw/zinc/76/63/99/565766399.db2.gz DMSFGORKFPUHCR-CYBMUJFWSA-N 0 1 380.535 3.261 20 0 GGADMN O=C(CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000412034627 565766570 /nfs/dbraw/zinc/76/65/70/565766570.db2.gz DGQXOUANNJNNCX-GVXVVHGQSA-N 0 1 376.806 3.390 20 0 GGADMN COc1ccc(CN(C)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000412034066 565766801 /nfs/dbraw/zinc/76/68/01/565766801.db2.gz DJJOMLPEKYYXNU-UHFFFAOYSA-N 0 1 382.913 3.231 20 0 GGADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3ccccc3Br)[C@@H]2C1 ZINC000331552661 565766914 /nfs/dbraw/zinc/76/69/14/565766914.db2.gz HZBYGLLTJYXSFO-KBRIMQKVSA-N 0 1 397.313 3.046 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ncccc2Br)CC1 ZINC000193646763 565767233 /nfs/dbraw/zinc/76/72/33/565767233.db2.gz OKJTVOKWNZMGPC-ZDUSSCGKSA-N 0 1 389.297 3.195 20 0 GGADMN COc1ccc(Br)cc1CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054030 565767582 /nfs/dbraw/zinc/76/75/82/565767582.db2.gz HFCJQAXKASLNAO-INIZCTEOSA-N 0 1 381.314 3.435 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000412054850 565767818 /nfs/dbraw/zinc/76/78/18/565767818.db2.gz JNYUPLGMPOFKOI-HNNXBMFYSA-N 0 1 381.314 3.435 20 0 GGADMN NC(=O)[C@H](N[C@@H]1CCCC12CCOCC2)c1ccc(Br)cc1F ZINC000282175287 565767959 /nfs/dbraw/zinc/76/79/59/565767959.db2.gz VIIPLDKFCOHSTG-HUUCEWRRSA-N 0 1 385.277 3.054 20 0 GGADMN COC[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000193684267 565768873 /nfs/dbraw/zinc/76/88/73/565768873.db2.gz SACDBAIWYRHXOO-GOSISDBHSA-N 0 1 382.913 3.068 20 0 GGADMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1Br ZINC000331620900 565772527 /nfs/dbraw/zinc/77/25/27/565772527.db2.gz QCWKJGMNPQHCLR-RISCZKNCSA-N 0 1 378.270 3.337 20 0 GGADMN Cn1nc(-c2cccs2)nc1NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000193727662 565772715 /nfs/dbraw/zinc/77/27/15/565772715.db2.gz IQQFNJXMRIMDSB-UHFFFAOYSA-N 0 1 386.861 3.278 20 0 GGADMN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1cc(Br)cc2nc[nH]c21 ZINC000282310228 565773748 /nfs/dbraw/zinc/77/37/48/565773748.db2.gz TVYYFRRTORSTMI-VIFPVBQESA-N 0 1 390.241 3.195 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412156433 565773744 /nfs/dbraw/zinc/77/37/44/565773744.db2.gz PDJLAZJFKDRAMS-SRVKXCTJSA-N 0 1 387.265 3.194 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412156435 565774012 /nfs/dbraw/zinc/77/40/12/565774012.db2.gz PDJLAZJFKDRAMS-TUAOUCFPSA-N 0 1 387.265 3.194 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000176462357 565775042 /nfs/dbraw/zinc/77/50/42/565775042.db2.gz IHEJAWBGIYHQKF-CYBMUJFWSA-N 0 1 381.548 3.358 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1Br ZINC000176484508 565776886 /nfs/dbraw/zinc/77/68/86/565776886.db2.gz BHNIDLGFJPHXPS-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CO[C@@H](CNC(=O)CSc1n[nH]c(=S)s1)c1cccc(Cl)c1 ZINC000176476830 565777047 /nfs/dbraw/zinc/77/70/47/565777047.db2.gz FTNSGZHRGCAITG-JTQLQIEISA-N 0 1 375.928 3.450 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000176525575 565779859 /nfs/dbraw/zinc/77/98/59/565779859.db2.gz SVRWZACQCDYCCJ-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN CN(C)c1cc(CNC(=O)CSc2n[nH]c(=S)s2)c2ccccc2n1 ZINC000176521647 565779947 /nfs/dbraw/zinc/77/99/47/565779947.db2.gz WSTILVHFVJPGKI-UHFFFAOYSA-N 0 1 391.547 3.223 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1occc1Br ZINC000176520009 565780020 /nfs/dbraw/zinc/78/00/20/565780020.db2.gz ZLDHZYGCWAIASV-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN O=C(N[C@@H](CCO)C1CCCCC1)c1cc(Br)cc2nc[nH]c21 ZINC000331732522 565780192 /nfs/dbraw/zinc/78/01/92/565780192.db2.gz RJUGNDOKBYKGQU-AWEZNQCLSA-N 0 1 380.286 3.387 20 0 GGADMN O=C(c1ccoc1Br)N1CCC(CCCN2CCOCC2)CC1 ZINC000193893229 565781635 /nfs/dbraw/zinc/78/16/35/565781635.db2.gz KBZNPBHBJDDNSA-UHFFFAOYSA-N 0 1 385.302 3.007 20 0 GGADMN CN(C(=O)CSc1n[n-]c(=S)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000176534055 565781620 /nfs/dbraw/zinc/78/16/20/565781620.db2.gz FFUACCCVIVAKMH-CQSZACIVSA-N 0 1 394.591 3.416 20 0 GGADMN CC(=O)NCCN(Cc1ccsc1)C[C@@H](O)c1ccc(Br)cc1 ZINC000282472064 565781774 /nfs/dbraw/zinc/78/17/74/565781774.db2.gz KUZQPBFJTVNIMG-QGZVFWFLSA-N 0 1 397.338 3.182 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)s1 ZINC000331773957 565783099 /nfs/dbraw/zinc/78/30/99/565783099.db2.gz DTOCBIZHCXZXFT-JTQLQIEISA-N 0 1 379.429 3.367 20 0 GGADMN Cc1nc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c(Br)s1 ZINC000412342210 565783126 /nfs/dbraw/zinc/78/31/26/565783126.db2.gz UFXWSHLJTSEAGT-UHFFFAOYSA-N 0 1 380.311 3.170 20 0 GGADMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176548507 565784051 /nfs/dbraw/zinc/78/40/51/565784051.db2.gz HJWLZDWDNUTTHU-SJORKVTESA-N 0 1 380.941 3.341 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000331795208 565784466 /nfs/dbraw/zinc/78/44/66/565784466.db2.gz PAUGUXYZFQIUAQ-ZIAGYGMSSA-N 0 1 383.587 3.190 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1Br ZINC000331821913 565786341 /nfs/dbraw/zinc/78/63/41/565786341.db2.gz PPADJPTXCPEFEY-HZMBPMFUSA-N 0 1 378.270 3.199 20 0 GGADMN CC(C)(NC(=O)c1csc(=NC2CC2)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000412419823 565786935 /nfs/dbraw/zinc/78/69/35/565786935.db2.gz RMJMIJSDMNJPHS-UHFFFAOYSA-N 0 1 376.429 3.280 20 0 GGADMN Brc1ccc2c(c1)[C@@H](NCc1cccnc1N1CCOCC1)CC2 ZINC000193973622 565787064 /nfs/dbraw/zinc/78/70/64/565787064.db2.gz AAXCVXUAOZLGHH-SFHVURJKSA-N 0 1 388.309 3.458 20 0 GGADMN C[N@@H+](CCCCNC(=O)c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000412414345 565787248 /nfs/dbraw/zinc/78/72/48/565787248.db2.gz BSRHJUQTPMPKDY-UHFFFAOYSA-N 0 1 375.694 3.412 20 0 GGADMN O=C(/C=C/c1cc(Br)cs1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282595870 565787557 /nfs/dbraw/zinc/78/75/57/565787557.db2.gz AUXGZEXJWLWZNL-RDFMZFSFSA-N 0 1 399.354 3.095 20 0 GGADMN Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2O)on1 ZINC000331828180 565787554 /nfs/dbraw/zinc/78/75/54/565787554.db2.gz NJEAMUOUKADEAY-NSHDSACASA-N 0 1 376.356 3.233 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000193991968 565788294 /nfs/dbraw/zinc/78/82/94/565788294.db2.gz XSTHPFJDSNAMQZ-ACJLOTCBSA-N 0 1 382.913 3.286 20 0 GGADMN Brc1cc2c(cc1CN1CCC[C@@H](c3cc[nH]n3)C1)OCCO2 ZINC000193992867 565788698 /nfs/dbraw/zinc/78/86/98/565788698.db2.gz NSMCIDDEIBFJHV-GFCCVEGCSA-N 0 1 378.270 3.323 20 0 GGADMN C[N@@H+](CCCCNC(=O)c1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000412431663 565788808 /nfs/dbraw/zinc/78/88/08/565788808.db2.gz YIIANDBVSLRDGN-UHFFFAOYSA-N 0 1 375.694 3.412 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCCO[C@H](CF)C1 ZINC000412446967 565789213 /nfs/dbraw/zinc/78/92/13/565789213.db2.gz 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378.314 3.151 20 0 GGADMN C[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCC1(F)F ZINC000332505834 565841389 /nfs/dbraw/zinc/84/13/89/565841389.db2.gz IBBPBSALSXMNEH-VIFPVBQESA-N 0 1 385.208 3.408 20 0 GGADMN NC(=O)C[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332517506 565841419 /nfs/dbraw/zinc/84/14/19/565841419.db2.gz KOJWMPCUXYPIGK-LLVKDONJSA-N 0 1 392.253 3.211 20 0 GGADMN C[C@H](CC(F)F)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000413255584 565842270 /nfs/dbraw/zinc/84/22/70/565842270.db2.gz JLTGKASVGHDGQZ-LLVKDONJSA-N 0 1 390.272 3.431 20 0 GGADMN COCc1ncsc1C(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000284100443 565842559 /nfs/dbraw/zinc/84/25/59/565842559.db2.gz YBEYHHJEFVRXNP-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@H](C(N)=O)C1 ZINC000332536737 565842626 /nfs/dbraw/zinc/84/26/26/565842626.db2.gz YTBCLCWXWUWNSS-OTYXRUKQSA-N 0 1 392.253 3.067 20 0 GGADMN NC(=O)C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332530511 565842712 /nfs/dbraw/zinc/84/27/12/565842712.db2.gz VEOMPGXGIUUNJF-JTQLQIEISA-N 0 1 392.253 3.068 20 0 GGADMN CCOC[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332528133 565842732 /nfs/dbraw/zinc/84/27/32/565842732.db2.gz TZFFQHZVWSNRPP-LBPRGKRZSA-N 0 1 393.281 3.179 20 0 GGADMN C[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@@H](C(N)=O)C1 ZINC000332536734 565842783 /nfs/dbraw/zinc/84/27/83/565842783.db2.gz YTBCLCWXWUWNSS-LKFCYVNXSA-N 0 1 392.253 3.067 20 0 GGADMN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332524493 565842836 /nfs/dbraw/zinc/84/28/36/565842836.db2.gz RFXCSTMTQURLCT-ZJUUUORDSA-N 0 1 392.253 3.067 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCCN(C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000284133908 565843617 /nfs/dbraw/zinc/84/36/17/565843617.db2.gz OIECKZIVRPQCET-HOTGVXAUSA-N 0 1 385.957 3.428 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000332555359 565843795 /nfs/dbraw/zinc/84/37/95/565843795.db2.gz NFTRZVKTPCBKNL-STQMWFEESA-N 0 1 393.347 3.079 20 0 GGADMN CC(C)[C@](C)(NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1ccc(Br)cc1 ZINC000332564416 565843958 /nfs/dbraw/zinc/84/39/58/565843958.db2.gz AJFZBCQNRSMKGJ-XIKOKIGWSA-N 0 1 391.313 3.360 20 0 GGADMN CC(C)[C@](C)(NC(=O)[C@@H]1CCc2nn[nH]c2C1)c1ccc(Br)cc1 ZINC000332564416 565843961 /nfs/dbraw/zinc/84/39/61/565843961.db2.gz AJFZBCQNRSMKGJ-XIKOKIGWSA-N 0 1 391.313 3.360 20 0 GGADMN CC[C@@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1cc(F)cc(Br)c1 ZINC000332556392 565844252 /nfs/dbraw/zinc/84/42/52/565844252.db2.gz NJVOFEYELCUHQC-NOZJJQNGSA-N 0 1 381.249 3.079 20 0 GGADMN CC[C@@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)c1cc(F)cc(Br)c1 ZINC000332556392 565844257 /nfs/dbraw/zinc/84/42/57/565844257.db2.gz NJVOFEYELCUHQC-NOZJJQNGSA-N 0 1 381.249 3.079 20 0 GGADMN Cc1c(Cl)c(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)nc2ccccc12 ZINC000332575018 565845455 /nfs/dbraw/zinc/84/54/55/565845455.db2.gz CFEUAYSZGMKVPX-HZPDHXFCSA-N 0 1 381.929 3.147 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000332598630 565846466 /nfs/dbraw/zinc/84/64/66/565846466.db2.gz MSDCLZNAIOOFNY-AWEZNQCLSA-N 0 1 392.301 3.196 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)Nc1cc(Br)cc(Cl)c1O)CC2 ZINC000332597452 565846534 /nfs/dbraw/zinc/84/65/34/565846534.db2.gz CCAOKESWEQNWQL-MRVPVSSYSA-N 0 1 384.661 3.285 20 0 GGADMN O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)NCc1ccc(F)cc1 ZINC000284326142 565848972 /nfs/dbraw/zinc/84/89/72/565848972.db2.gz BIXCNWNAOAWYHM-GOSISDBHSA-N 0 1 392.272 3.340 20 0 GGADMN O=C(NCCCCc1ccc(Cl)s1)N1CCN(C2CCOCC2)CC1 ZINC000284349569 565850631 /nfs/dbraw/zinc/85/06/31/565850631.db2.gz YDTLYPYNHCXTNE-UHFFFAOYSA-N 0 1 385.961 3.230 20 0 GGADMN Cc1c(Cl)c(CN(C)C2CCN(S(C)(=O)=O)CC2)nc2ccccc12 ZINC000177445389 565851396 /nfs/dbraw/zinc/85/13/96/565851396.db2.gz LWANDUGSJLBKQW-UHFFFAOYSA-N 0 1 381.929 3.052 20 0 GGADMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c(C)c1C ZINC000194995182 565851677 /nfs/dbraw/zinc/85/16/77/565851677.db2.gz CWBABGSGRQWTMB-UHFFFAOYSA-N 0 1 376.404 3.183 20 0 GGADMN CC(C)NC(=O)CN1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000194976467 565852177 /nfs/dbraw/zinc/85/21/77/565852177.db2.gz IKXWGPKVLYQJNC-UHFFFAOYSA-N 0 1 386.367 3.458 20 0 GGADMN O=C(CN1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1)NC1CC1 ZINC000194977522 565852407 /nfs/dbraw/zinc/85/24/07/565852407.db2.gz ZVHXIJUXGXHJEU-UHFFFAOYSA-N 0 1 384.351 3.212 20 0 GGADMN COC(=O)[C@]1(C)CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000177459461 565852678 /nfs/dbraw/zinc/85/26/78/565852678.db2.gz VZEPYXQKSUVVBK-QGZVFWFLSA-N 0 1 379.254 3.489 20 0 GGADMN Cn1cc(CN2CCC(Oc3ccccc3I)CC2)cn1 ZINC000177454174 565852925 /nfs/dbraw/zinc/85/29/25/565852925.db2.gz FLBQFDTXRKKNAZ-UHFFFAOYSA-N 0 1 397.260 3.068 20 0 GGADMN CC[C@H](C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)N(C)C ZINC000413456086 565853512 /nfs/dbraw/zinc/85/35/12/565853512.db2.gz MSDFTCIRJAXVFY-SNVBAGLBSA-N 0 1 384.196 3.064 20 0 GGADMN CC[C@@H](C(=O)Nc1cc(Br)cnc1OCC(F)(F)F)N(C)C ZINC000413456082 565853860 /nfs/dbraw/zinc/85/38/60/565853860.db2.gz MSDFTCIRJAXVFY-JTQLQIEISA-N 0 1 384.196 3.064 20 0 GGADMN C[C@H]1C[C@H](NC(=O)CSc2n[n-]c(=S)s2)CC[N@H+]1Cc1ccccc1 ZINC000177476338 565853858 /nfs/dbraw/zinc/85/38/58/565853858.db2.gz VDSOCXDVTRISAO-GXTWGEPZSA-N 0 1 394.591 3.462 20 0 GGADMN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CCc2[nH]nnc2C1 ZINC000332723958 565854808 /nfs/dbraw/zinc/85/48/08/565854808.db2.gz XVZCSSARMVNZJF-ZETCQYMHSA-N 0 1 389.175 3.330 20 0 GGADMN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CCc2nn[nH]c2C1 ZINC000332723958 565854812 /nfs/dbraw/zinc/85/48/12/565854812.db2.gz XVZCSSARMVNZJF-ZETCQYMHSA-N 0 1 389.175 3.330 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000284475787 565855291 /nfs/dbraw/zinc/85/52/91/565855291.db2.gz ALOIGYMUBWLNMI-GDPRMGEGSA-N 0 1 399.314 3.029 20 0 GGADMN CC[C@H](C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C)N(C)C ZINC000413505995 565855909 /nfs/dbraw/zinc/85/59/09/565855909.db2.gz PQPWPZWWLLKKLD-CQSZACIVSA-N 0 1 379.302 3.437 20 0 GGADMN O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000332773000 565856397 /nfs/dbraw/zinc/85/63/97/565856397.db2.gz WUGSXKLQCHMHLG-SUMWQHHRSA-N 0 1 389.297 3.330 20 0 GGADMN O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000332773000 565856403 /nfs/dbraw/zinc/85/64/03/565856403.db2.gz WUGSXKLQCHMHLG-SUMWQHHRSA-N 0 1 389.297 3.330 20 0 GGADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(n2cc(Br)cn2)CC1 ZINC000332818495 565856963 /nfs/dbraw/zinc/85/69/63/565856963.db2.gz UJTYPWFYQAECIA-JKIFEVAISA-N 0 1 397.361 3.366 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ncccc1Br ZINC000195079888 565858385 /nfs/dbraw/zinc/85/83/85/565858385.db2.gz WVLQZRHDWGGHLP-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(F)cc1)Oc1ccccc1Br ZINC000177545513 565858766 /nfs/dbraw/zinc/85/87/66/565858766.db2.gz VDUBSXQFFQYWGZ-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cnc(-c3cccs3)s2)cc1 ZINC000177568732 565859438 /nfs/dbraw/zinc/85/94/38/565859438.db2.gz RMSNMPZKUVFJFA-UHFFFAOYSA-N 0 1 393.559 3.412 20 0 GGADMN COC(=O)c1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)c(Br)c1 ZINC000284579467 565859837 /nfs/dbraw/zinc/85/98/37/565859837.db2.gz JGJGRIQPSUEGQC-DLBZAZTESA-N 0 1 391.265 3.251 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000332991632 565860000 /nfs/dbraw/zinc/86/00/00/565860000.db2.gz KXERKIWTLGJXJR-JSGCOSHPSA-N 0 1 385.961 3.266 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000332991629 565860047 /nfs/dbraw/zinc/86/00/47/565860047.db2.gz KXERKIWTLGJXJR-GXTWGEPZSA-N 0 1 385.961 3.266 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)[C@@]12CCCO2 ZINC000333031321 565860986 /nfs/dbraw/zinc/86/09/86/565860986.db2.gz OIIKXQMZZWSIHW-XNJGSVPQSA-N 0 1 381.885 3.248 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000333021264 565861369 /nfs/dbraw/zinc/86/13/69/565861369.db2.gz JBNTXNFPMISVOL-CQSZACIVSA-N 0 1 385.580 3.012 20 0 GGADMN C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1n[nH]c(Cc2cccs2)n1 ZINC000195159142 565861993 /nfs/dbraw/zinc/86/19/93/565861993.db2.gz CDGMYOORSNRHSR-JTQLQIEISA-N 0 1 380.495 3.277 20 0 GGADMN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1n[nH]c(Cc2cccs2)n1 ZINC000195160217 565862199 /nfs/dbraw/zinc/86/21/99/565862199.db2.gz QHGAWCJLJSHBBR-UHFFFAOYSA-N 0 1 387.408 3.450 20 0 GGADMN COCc1ncsc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000284638539 565862367 /nfs/dbraw/zinc/86/23/67/565862367.db2.gz WTYCDNJMHRNYTM-UHFFFAOYSA-N 0 1 379.913 3.337 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(Br)ccc2Cl)C1 ZINC000284632108 565862684 /nfs/dbraw/zinc/86/26/84/565862684.db2.gz QORJLORLVGQMGX-MFKMUULPSA-N 0 1 399.676 3.131 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)c1n[nH]c(Cc2cccs2)n1 ZINC000195164108 565863527 /nfs/dbraw/zinc/86/35/27/565863527.db2.gz MBKIONLAJSVNCX-UHFFFAOYSA-N 0 1 387.408 3.450 20 0 GGADMN O=S(=O)(Cc1nc2ccccc2s1)c1n[nH]c(Cc2cccs2)n1 ZINC000195161890 565864178 /nfs/dbraw/zinc/86/41/78/565864178.db2.gz AUDXWPLULQFQLN-UHFFFAOYSA-N 0 1 376.488 3.041 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]2C1 ZINC000333094227 565864985 /nfs/dbraw/zinc/86/49/85/565864985.db2.gz CWTZJXGFBINFKS-HBNTYKKESA-N 0 1 384.299 3.153 20 0 GGADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NCc1cccs1 ZINC000284680305 565865680 /nfs/dbraw/zinc/86/56/80/565865680.db2.gz HIYVZBXRWLLQID-INIZCTEOSA-N 0 1 380.311 3.263 20 0 GGADMN C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Br)c3Cl)[C@@H]2C1 ZINC000413661669 565865747 /nfs/dbraw/zinc/86/57/47/565865747.db2.gz YDYJVJLHJRPYGS-BXUZGUMPSA-N 0 1 386.721 3.338 20 0 GGADMN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3cc4c(cc3Cl)CCC4=O)cn21 ZINC000333097822 565865940 /nfs/dbraw/zinc/86/59/40/565865940.db2.gz BYNIAXQKVWUYLW-SNVBAGLBSA-N 0 1 379.869 3.364 20 0 GGADMN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333131362 565868170 /nfs/dbraw/zinc/86/81/70/565868170.db2.gz HYDVAABKXBVCMS-XZJROXQQSA-N 0 1 383.901 3.251 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]2C1 ZINC000333145231 565868245 /nfs/dbraw/zinc/86/82/45/565868245.db2.gz LQOBHERYKKGGIL-HOSYDEDBSA-N 0 1 384.299 3.153 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2Br)C1 ZINC000195238232 565868531 /nfs/dbraw/zinc/86/85/31/565868531.db2.gz DKUSRYPZQRZUIA-CYBMUJFWSA-N 0 1 399.329 3.205 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC(OC2CCC2)CC1 ZINC000333161240 565868957 /nfs/dbraw/zinc/86/89/57/565868957.db2.gz LZKUDRCZMJFFKL-UHFFFAOYSA-N 0 1 378.270 3.499 20 0 GGADMN CCn1ccnc1[C@@H](N[C@H](C)Cn1cc(Br)cn1)C1CCOCC1 ZINC000284761721 565869134 /nfs/dbraw/zinc/86/91/34/565869134.db2.gz WMBXCSOAWBVXGJ-CJNGLKHVSA-N 0 1 396.333 3.008 20 0 GGADMN CCn1ccnc1[C@@H](N[C@@H](C)Cn1cc(Br)cn1)C1CCOCC1 ZINC000284761716 565869214 /nfs/dbraw/zinc/86/92/14/565869214.db2.gz WMBXCSOAWBVXGJ-BBRMVZONSA-N 0 1 396.333 3.008 20 0 GGADMN Cc1cnc(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c(Br)c1 ZINC000333182020 565870754 /nfs/dbraw/zinc/87/07/54/565870754.db2.gz PXVTYLSQRQSHFM-SNVBAGLBSA-N 0 1 385.287 3.047 20 0 GGADMN O=S(=O)(C[C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333223363 565871203 /nfs/dbraw/zinc/87/12/03/565871203.db2.gz WZZCSPAGELQZTI-XJKSGUPXSA-N 0 1 383.901 3.252 20 0 GGADMN O=S(=O)(C[C@@H]1CCCO1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333223360 565871366 /nfs/dbraw/zinc/87/13/66/565871366.db2.gz WZZCSPAGELQZTI-BBRMVZONSA-N 0 1 383.901 3.252 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000284800789 565871506 /nfs/dbraw/zinc/87/15/06/565871506.db2.gz PKKYCKVMHFLBJP-ZDUSSCGKSA-N 0 1 380.897 3.423 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000177750176 565871852 /nfs/dbraw/zinc/87/18/52/565871852.db2.gz VROUHEBWKSEQLN-ZDUSSCGKSA-N 0 1 386.323 3.117 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N[C@H](c2cncc(Br)c2)C2CC2)on1 ZINC000284825880 565872775 /nfs/dbraw/zinc/87/27/75/565872775.db2.gz QCWOTXIZDOWKDQ-BMIGLBTASA-N 0 1 379.258 3.208 20 0 GGADMN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1[nH]nc2c1CCC2 ZINC000333245630 565873709 /nfs/dbraw/zinc/87/37/09/565873709.db2.gz JFCJTOZZCXVGFF-XYPYZODXSA-N 0 1 378.245 3.476 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(C(=O)OC)sc2C)cc1 ZINC000284852699 565874348 /nfs/dbraw/zinc/87/43/48/565874348.db2.gz UAOLMICKVROGTM-LBPRGKRZSA-N 0 1 381.519 3.488 20 0 GGADMN Cc1cccn2c(=O)cc(CN[C@H](c3cncc(Br)c3)C3CC3)nc12 ZINC000284903160 565876102 /nfs/dbraw/zinc/87/61/02/565876102.db2.gz UWWQNDPKWUYRRJ-SFHVURJKSA-N 0 1 399.292 3.401 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000195330968 565877136 /nfs/dbraw/zinc/87/71/36/565877136.db2.gz VSSFTKBHLULJEI-QGZVFWFLSA-N 0 1 382.526 3.452 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)CCc1cccs1 ZINC000195383350 565879050 /nfs/dbraw/zinc/87/90/50/565879050.db2.gz OVWNSPSZMYVMSC-KRWDZBQOSA-N 0 1 378.563 3.217 20 0 GGADMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333395922 565880829 /nfs/dbraw/zinc/88/08/29/565880829.db2.gz DSEIAUQNCHTCFI-MWNCTCPHSA-N 0 1 392.297 3.190 20 0 GGADMN O=S(=O)(N[C@H]1CCOC2(CCCC2)C1)c1cc(C(F)(F)F)ccc1O ZINC000333464680 565883449 /nfs/dbraw/zinc/88/34/49/565883449.db2.gz VFPMNNUMIMSAIZ-LBPRGKRZSA-N 0 1 379.400 3.181 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000177969833 565884475 /nfs/dbraw/zinc/88/44/75/565884475.db2.gz URRJUVQXRTUOCX-NPMABZOXSA-N 0 1 385.938 3.202 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000177967776 565884748 /nfs/dbraw/zinc/88/47/48/565884748.db2.gz NZBREHVXVGYWJY-CYBMUJFWSA-N 0 1 380.897 3.423 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCN1 ZINC000333507655 565884814 /nfs/dbraw/zinc/88/48/14/565884814.db2.gz DZZYWILAFJAFKQ-BDJLRTHQSA-N 0 1 391.313 3.311 20 0 GGADMN Cc1csc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c1Br ZINC000333556228 565886789 /nfs/dbraw/zinc/88/67/89/565886789.db2.gz KFYCOYCZNSISOE-UHFFFAOYSA-N 0 1 395.326 3.096 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)c2o1 ZINC000333556068 565887043 /nfs/dbraw/zinc/88/70/43/565887043.db2.gz VLTWSYRJTPYRJF-AOOOYVTPSA-N 0 1 381.274 3.455 20 0 GGADMN Cc1nc(S(=O)(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)sc1C ZINC000333554554 565887090 /nfs/dbraw/zinc/88/70/90/565887090.db2.gz QMNLZAGQRLFVDB-SNVBAGLBSA-N 0 1 394.444 3.070 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000177993857 565888068 /nfs/dbraw/zinc/88/80/68/565888068.db2.gz BAGLNCGGHUDBFJ-KRWDZBQOSA-N 0 1 380.510 3.239 20 0 GGADMN CCc1nc(C)c([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000178003657 565888859 /nfs/dbraw/zinc/88/88/59/565888859.db2.gz JGEGUTSUSBSDFO-NSHDSACASA-N 0 1 387.958 3.296 20 0 GGADMN C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000414031518 565889025 /nfs/dbraw/zinc/88/90/25/565889025.db2.gz FZZMORVSULJXBA-DGCLKSJQSA-N 0 1 378.270 3.072 20 0 GGADMN CCc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000178003646 565889122 /nfs/dbraw/zinc/88/91/22/565889122.db2.gz JGEGUTSUSBSDFO-LLVKDONJSA-N 0 1 387.958 3.296 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCCc2c(Cl)cccc2Cl)C1 ZINC000195613758 565890604 /nfs/dbraw/zinc/89/06/04/565890604.db2.gz NWBWLYWCMZXDJN-AWEZNQCLSA-N 0 1 388.339 3.192 20 0 GGADMN Cc1ccc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000195584069 565890618 /nfs/dbraw/zinc/89/06/18/565890618.db2.gz FABDSNUKJOASNC-OKILXGFUSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1sc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)cc1Br ZINC000333650361 565891709 /nfs/dbraw/zinc/89/17/09/565891709.db2.gz YXGFQELDJVKDGZ-UHFFFAOYSA-N 0 1 395.326 3.096 20 0 GGADMN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1cc(Br)ccc1F ZINC000178046471 565892417 /nfs/dbraw/zinc/89/24/17/565892417.db2.gz TXIODTQJYPKEIV-LLVKDONJSA-N 0 1 381.245 3.303 20 0 GGADMN Cc1nn(C)c(Cl)c1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000198550290 565893166 /nfs/dbraw/zinc/89/31/66/565893166.db2.gz GQTNXOSZJGQUCY-UHFFFAOYSA-N 0 1 381.307 3.430 20 0 GGADMN C[C@H]1[C@@H](CO)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000414083386 565893223 /nfs/dbraw/zinc/89/32/23/565893223.db2.gz VMIARFYGMAMJQU-WCQYABFASA-N 0 1 378.270 3.072 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(C3SCCS3)cc2)C[C@H](C)O1 ZINC000198902863 565893516 /nfs/dbraw/zinc/89/35/16/565893516.db2.gz IGHUTWIUTSQZEX-GASCZTMLSA-N 0 1 380.579 3.394 20 0 GGADMN COC(=O)c1cnc([C@H](C)NCCC2CCN(CC(F)(F)F)CC2)s1 ZINC000414097662 565894388 /nfs/dbraw/zinc/89/43/88/565894388.db2.gz IKKJKAQIGDCQHK-NSHDSACASA-N 0 1 379.448 3.245 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178075648 565894492 /nfs/dbraw/zinc/89/44/92/565894492.db2.gz MQEUFVMXILZUTG-CABCVRRESA-N 0 1 385.335 3.353 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1OC ZINC000285214666 565894718 /nfs/dbraw/zinc/89/47/18/565894718.db2.gz XEQMLAREDHEZTK-VIFPVBQESA-N 0 1 389.832 3.350 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000207552245 565894835 /nfs/dbraw/zinc/89/48/35/565894835.db2.gz LTJGCKFOOHVJQX-UHFFFAOYSA-N 0 1 381.841 3.127 20 0 GGADMN C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000414119834 565896759 /nfs/dbraw/zinc/89/67/59/565896759.db2.gz DSTROBQVPIIBFA-IINYFYTJSA-N 0 1 399.235 3.391 20 0 GGADMN CC1(C)CCc2sc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)nc21 ZINC000333843786 565899385 /nfs/dbraw/zinc/89/93/85/565899385.db2.gz LUSCEGDEXHKVPP-UHFFFAOYSA-N 0 1 380.491 3.329 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cccc(Cl)c1Cl ZINC000178144474 565900786 /nfs/dbraw/zinc/90/07/86/565900786.db2.gz JOXBDDIHAJRUQG-UHFFFAOYSA-N 0 1 392.285 3.124 20 0 GGADMN CO[C@@H]1C[C@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C12CCC2 ZINC000414179375 565901943 /nfs/dbraw/zinc/90/19/43/565901943.db2.gz KQCOZAOUUCOXJQ-ULKVUYOBSA-N 0 1 393.336 3.249 20 0 GGADMN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3cc4c(cc3Cl)OCCO4)cn21 ZINC000333921388 565902610 /nfs/dbraw/zinc/90/26/10/565902610.db2.gz QPHOJODFNPWKGK-SNVBAGLBSA-N 0 1 383.857 3.006 20 0 GGADMN C[C@H]1CCCc2nc(S(=O)(=O)Nc3cc4c(cc3Cl)OCCO4)cn21 ZINC000333921387 565902619 /nfs/dbraw/zinc/90/26/19/565902619.db2.gz QPHOJODFNPWKGK-JTQLQIEISA-N 0 1 383.857 3.006 20 0 GGADMN Cc1nc([C@@H]2CCN(c3nc(C(F)(F)F)c(Br)s3)C2)n[nH]1 ZINC000333925491 565903065 /nfs/dbraw/zinc/90/30/65/565903065.db2.gz UQEYAHYYSIYAMP-ZCFIWIBFSA-N 0 1 382.209 3.345 20 0 GGADMN Cc1nnc([C@@H]2CCN(c3nc(C(F)(F)F)c(Br)s3)C2)[nH]1 ZINC000333925491 565903069 /nfs/dbraw/zinc/90/30/69/565903069.db2.gz UQEYAHYYSIYAMP-ZCFIWIBFSA-N 0 1 382.209 3.345 20 0 GGADMN CC(C)n1cc(CNCc2ccc(Br)cc2N2CCOCC2)cn1 ZINC000178170381 565903406 /nfs/dbraw/zinc/90/34/06/565903406.db2.gz RCMXESMILSDTMN-UHFFFAOYSA-N 0 1 393.329 3.353 20 0 GGADMN C[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CS1 ZINC000414220129 565904443 /nfs/dbraw/zinc/90/44/43/565904443.db2.gz BSDHMYPGSZEQEY-IRUJWGPZSA-N 0 1 376.341 3.151 20 0 GGADMN CN(C)[C@H](CNCc1ncc(I)s1)c1cccs1 ZINC000285418930 565905898 /nfs/dbraw/zinc/90/58/98/565905898.db2.gz JNKHHOBPMACHAI-SECBINFHSA-N 0 1 393.319 3.202 20 0 GGADMN C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000414265835 565906279 /nfs/dbraw/zinc/90/62/79/565906279.db2.gz LWMNAYKCNRAPKU-GFCCVEGCSA-N 0 1 378.519 3.351 20 0 GGADMN C[C@H](NCC(C)(C)OCC1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414266392 565906412 /nfs/dbraw/zinc/90/64/12/565906412.db2.gz MDHFUMJFYBICIB-JTQLQIEISA-N 0 1 395.352 3.497 20 0 GGADMN C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccccc1I ZINC000414256018 565906659 /nfs/dbraw/zinc/90/66/59/565906659.db2.gz KVSMJBXKIFDUNM-LLVKDONJSA-N 0 1 395.306 3.155 20 0 GGADMN Cc1nn(-c2ccccn2)c(Cl)c1CNCCOCC(F)(F)C(F)F ZINC000285439489 565906808 /nfs/dbraw/zinc/90/68/08/565906808.db2.gz CUFGWOKHEBDRPT-UHFFFAOYSA-N 0 1 380.773 3.236 20 0 GGADMN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccccc1I ZINC000414293076 565908752 /nfs/dbraw/zinc/90/87/52/565908752.db2.gz BTWDHQMOMPMAOO-BIMULSAOSA-N 0 1 381.204 3.491 20 0 GGADMN O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000334028102 565909518 /nfs/dbraw/zinc/90/95/18/565909518.db2.gz IXODSOLOAJVNCI-GFCCVEGCSA-N 0 1 396.969 3.370 20 0 GGADMN COC1([C@@H](C)N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC1 ZINC000414298933 565909635 /nfs/dbraw/zinc/90/96/35/565909635.db2.gz HOODUEZSRDHLPR-RISCZKNCSA-N 0 1 388.327 3.215 20 0 GGADMN O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000334028103 565909719 /nfs/dbraw/zinc/90/97/19/565909719.db2.gz IXODSOLOAJVNCI-LBPRGKRZSA-N 0 1 396.969 3.370 20 0 GGADMN COC1([C@H](C)N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCC1 ZINC000414308942 565909909 /nfs/dbraw/zinc/90/99/09/565909909.db2.gz QUXKGSVCHPPXCD-ZJUUUORDSA-N 0 1 381.325 3.249 20 0 GGADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1Cl ZINC000414313741 565909944 /nfs/dbraw/zinc/90/99/44/565909944.db2.gz KOSLTRGMEWNUKZ-CQSZACIVSA-N 0 1 387.288 3.254 20 0 GGADMN C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(F)cc1Br ZINC000414320111 565910650 /nfs/dbraw/zinc/91/06/50/565910650.db2.gz ABVGMOOWUBXGIK-LLVKDONJSA-N 0 1 378.307 3.454 20 0 GGADMN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(F)cc1Br ZINC000414320112 565910983 /nfs/dbraw/zinc/91/09/83/565910983.db2.gz ABVGMOOWUBXGIK-NSHDSACASA-N 0 1 378.307 3.454 20 0 GGADMN CS(=O)(=O)CC1(CN[C@H]2CCc3c2c(Br)ccc3F)CCC1 ZINC000414334662 565911876 /nfs/dbraw/zinc/91/18/76/565911876.db2.gz UMCXYHYMOREQDS-AWEZNQCLSA-N 0 1 390.318 3.380 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2cncn2C)C1=O ZINC000285518267 565911890 /nfs/dbraw/zinc/91/18/90/565911890.db2.gz OTODQUUAQYUXGD-INIZCTEOSA-N 0 1 391.313 3.085 20 0 GGADMN COc1cc(OC)c([C@@H](C)NCC2(CS(C)(=O)=O)CCC2)cc1Cl ZINC000414328314 565912116 /nfs/dbraw/zinc/91/21/16/565912116.db2.gz NVLGZVMXGGHZFR-GFCCVEGCSA-N 0 1 375.918 3.223 20 0 GGADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414339771 565912274 /nfs/dbraw/zinc/91/22/74/565912274.db2.gz GBMFBNFIKJXCCC-IYYTYJHQSA-N 0 1 375.277 3.441 20 0 GGADMN COCCCNC(=O)C1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000178324806 565912489 /nfs/dbraw/zinc/91/24/89/565912489.db2.gz XJYGTNLVDYXNFZ-AWEZNQCLSA-N 0 1 383.330 3.375 20 0 GGADMN CS(=O)(=O)c1ccc(CNCCOc2ccccc2C(F)(F)F)s1 ZINC000414348163 565913067 /nfs/dbraw/zinc/91/30/67/565913067.db2.gz WTEWFVPXGIDKSF-UHFFFAOYSA-N 0 1 379.425 3.339 20 0 GGADMN CC[C@@H](C[C@H](C)CO)NCc1c(Br)cncc1Br ZINC000414366153 565915814 /nfs/dbraw/zinc/91/58/14/565915814.db2.gz PVEUHFFQVFFCJT-UWVGGRQHSA-N 0 1 380.124 3.493 20 0 GGADMN CCc1nc([C@H](C)NCc2c(Br)cncc2Br)n[nH]1 ZINC000414363584 565916056 /nfs/dbraw/zinc/91/60/56/565916056.db2.gz GVNBLZSOHONJDQ-ZETCQYMHSA-N 0 1 389.095 3.138 20 0 GGADMN CCOC(=O)CC1(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)CC1 ZINC000414370776 565917188 /nfs/dbraw/zinc/91/71/88/565917188.db2.gz HJDXGKULXICNSD-UHFFFAOYSA-N 0 1 375.874 3.355 20 0 GGADMN Cn1cccc1S(=O)(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000414375014 565917610 /nfs/dbraw/zinc/91/76/10/565917610.db2.gz WHCNOOALGWPRLU-UHFFFAOYSA-N 0 1 380.363 3.243 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(Br)sc1Br ZINC000227274775 565922497 /nfs/dbraw/zinc/92/24/97/565922497.db2.gz BVLSHMOVHISGTL-SSDOTTSWSA-N 0 1 394.132 3.240 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)cc(OC)c1 ZINC000414375647 565918633 /nfs/dbraw/zinc/91/86/33/565918633.db2.gz XXTIKXOPMKJNDY-UHFFFAOYSA-N 0 1 387.841 3.175 20 0 GGADMN COCCc1ccccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000414380936 565919351 /nfs/dbraw/zinc/91/93/51/565919351.db2.gz KBWWHWDZUKIXGT-UHFFFAOYSA-N 0 1 385.869 3.347 20 0 GGADMN COc1cc(OC)c(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)cc1Cl ZINC000414381374 565919747 /nfs/dbraw/zinc/91/97/47/565919747.db2.gz LRWDOTYOLXTDBH-UHFFFAOYSA-N 0 1 381.788 3.127 20 0 GGADMN O=C(NCC1(CCO)CCCCC1)c1n[nH]c2ccc(Br)cc21 ZINC000178465814 565920382 /nfs/dbraw/zinc/92/03/82/565920382.db2.gz CVGVZQCIWCNBHV-UHFFFAOYSA-N 0 1 380.286 3.388 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000285675252 565920454 /nfs/dbraw/zinc/92/04/54/565920454.db2.gz JBEMUOYTJNHCEC-CYBMUJFWSA-N 0 1 379.913 3.048 20 0 GGADMN COC(=O)c1c(Cl)cccc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000414386260 565920631 /nfs/dbraw/zinc/92/06/31/565920631.db2.gz WLLIABRIYLLOGS-SNVBAGLBSA-N 0 1 383.857 3.095 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000285675256 565921108 /nfs/dbraw/zinc/92/11/08/565921108.db2.gz JBEMUOYTJNHCEC-ZDUSSCGKSA-N 0 1 379.913 3.048 20 0 GGADMN CSc1cc(C)ccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000414391534 565921672 /nfs/dbraw/zinc/92/16/72/565921672.db2.gz CSWDHUJJVLYXPB-UHFFFAOYSA-N 0 1 379.507 3.082 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000178502525 565922165 /nfs/dbraw/zinc/92/21/65/565922165.db2.gz ABKHCFLGLPSVPQ-IBGZPJMESA-N 0 1 376.547 3.057 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cccc(Cl)c2Br)[C@@H](C)C1 ZINC000285683186 565922326 /nfs/dbraw/zinc/92/23/26/565922326.db2.gz AHWOMCUTUIFNJU-QWRGUYRKSA-N 0 1 390.709 3.021 20 0 GGADMN C[C@@H](NCc1ccc(F)cc1Br)c1ccc(-n2cnnn2)cc1 ZINC000178507525 565923756 /nfs/dbraw/zinc/92/37/56/565923756.db2.gz VVIVUWGHCVBPKU-LLVKDONJSA-N 0 1 376.233 3.415 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](c2cncc(Br)c2)C2CC2)[nH]1 ZINC000285770178 565926049 /nfs/dbraw/zinc/92/60/49/565926049.db2.gz RZVFTFYXMDWECB-AWEZNQCLSA-N 0 1 396.314 3.020 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000178574883 565926693 /nfs/dbraw/zinc/92/66/93/565926693.db2.gz XZWPWFDEODOKCX-SJKOYZFVSA-N 0 1 380.897 3.423 20 0 GGADMN CCC(CC)(CO)CNCc1ncc(Br)cc1Br ZINC000230557778 565928683 /nfs/dbraw/zinc/92/86/83/565928683.db2.gz KIMGCTKMYFATRW-UHFFFAOYSA-N 0 1 380.124 3.495 20 0 GGADMN O=C(CCNCc1cc(Br)ccc1Cl)NCc1cccnc1 ZINC000178619278 565929704 /nfs/dbraw/zinc/92/97/04/565929704.db2.gz LPYCEWAMDJPGQK-UHFFFAOYSA-N 0 1 382.689 3.294 20 0 GGADMN CC(C)(C)[C@@H](CCO)NCc1ncc(Br)cc1Br ZINC000231076296 565930775 /nfs/dbraw/zinc/93/07/75/565930775.db2.gz ZIPSOAQBGSNTEO-GFCCVEGCSA-N 0 1 380.124 3.493 20 0 GGADMN Cc1nn(C)c(NS(=O)(=O)c2cc(C)c(Br)cc2F)c1C ZINC000414435368 565931780 /nfs/dbraw/zinc/93/17/80/565931780.db2.gz FMMULZDKBRLURR-UHFFFAOYSA-N 0 1 376.251 3.048 20 0 GGADMN CC(C)[C@H](CNc1ncc(Br)cc1Cl)N1CCN(C)CC1 ZINC000232744919 565932134 /nfs/dbraw/zinc/93/21/34/565932134.db2.gz OVRXRLZZKUCSKV-AWEZNQCLSA-N 0 1 375.742 3.181 20 0 GGADMN Clc1cc(-c2nc([C@H]3CCCN3)no2)ccc1I ZINC000232346330 565932297 /nfs/dbraw/zinc/93/22/97/565932297.db2.gz KSOMCDFZBZSEOU-SNVBAGLBSA-N 0 1 375.597 3.419 20 0 GGADMN COc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1Cl ZINC000232204677 565932837 /nfs/dbraw/zinc/93/28/37/565932837.db2.gz GVHJGMHRQWCEGL-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN COC(=O)c1cc(C)c(NS(=O)(=O)c2cn(C)c(C(C)C)n2)c(Cl)c1 ZINC000414449365 565934506 /nfs/dbraw/zinc/93/45/06/565934506.db2.gz BZMOBEKTWJGBFJ-UHFFFAOYSA-N 0 1 385.873 3.093 20 0 GGADMN C[C@@H](C[C@H](O)c1ccccc1)NCc1ncc(I)s1 ZINC000285958416 565935266 /nfs/dbraw/zinc/93/52/66/565935266.db2.gz MZWSERBIYNTXBH-JQWIXIFHSA-N 0 1 388.274 3.350 20 0 GGADMN O=C(NCc1noc(-c2ccc3cncn3c2)n1)c1ccc(Br)cc1 ZINC000350374548 565935833 /nfs/dbraw/zinc/93/58/33/565935833.db2.gz RHSYLPGMEFMLJP-UHFFFAOYSA-N 0 1 398.220 3.077 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)c(C)s1 ZINC000414458783 565936431 /nfs/dbraw/zinc/93/64/31/565936431.db2.gz LBUPFIRSUGTJTB-UHFFFAOYSA-N 0 1 379.459 3.163 20 0 GGADMN CCn1cc(Br)cc1-c1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000350334976 565936575 /nfs/dbraw/zinc/93/65/75/565936575.db2.gz DQZJIEGEPOAFRU-XJKSGUPXSA-N 0 1 381.274 3.246 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000285996318 565937486 /nfs/dbraw/zinc/93/74/86/565937486.db2.gz YRHHSYFLYFCBOJ-LHMODEAPSA-N 0 1 381.263 3.204 20 0 GGADMN O=S(=O)(Nc1ccc2nccnc2c1)c1cc(F)ccc1Br ZINC000178798366 565937706 /nfs/dbraw/zinc/93/77/06/565937706.db2.gz NYKRBCXYAGIWQE-UHFFFAOYSA-N 0 1 382.214 3.332 20 0 GGADMN CCOc1cc(-c2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000350584802 565938642 /nfs/dbraw/zinc/93/86/42/565938642.db2.gz PBNWQNLCZBTABM-KOLCDFICSA-N 0 1 382.258 3.269 20 0 GGADMN CCOc1cc(-c2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000350584802 565938646 /nfs/dbraw/zinc/93/86/46/565938646.db2.gz PBNWQNLCZBTABM-KOLCDFICSA-N 0 1 382.258 3.269 20 0 GGADMN CCOc1cc(-c2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000350584805 565939084 /nfs/dbraw/zinc/93/90/84/565939084.db2.gz PBNWQNLCZBTABM-ONGXEEELSA-N 0 1 382.258 3.269 20 0 GGADMN CCOc1cc(-c2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000350584805 565939086 /nfs/dbraw/zinc/93/90/86/565939086.db2.gz PBNWQNLCZBTABM-ONGXEEELSA-N 0 1 382.258 3.269 20 0 GGADMN CC(C)(COc1ncccc1Br)NCc1nccn1C(F)F ZINC000178826050 565939853 /nfs/dbraw/zinc/93/98/53/565939853.db2.gz HBVBYBWKDLVNJO-UHFFFAOYSA-N 0 1 375.217 3.383 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(F)c1 ZINC000414475246 565940116 /nfs/dbraw/zinc/94/01/16/565940116.db2.gz UTTYSJDXVIEDCZ-UHFFFAOYSA-N 0 1 390.839 3.359 20 0 GGADMN O=S1(=O)CCCN1C1CCN(Cc2cc(-c3ccccc3)cs2)CC1 ZINC000414471363 565940501 /nfs/dbraw/zinc/94/05/01/565940501.db2.gz OTNQVHSAOKCUFN-UHFFFAOYSA-N 0 1 376.547 3.415 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000414479085 565941394 /nfs/dbraw/zinc/94/13/94/565941394.db2.gz HNKRPFMKMZARFQ-UHFFFAOYSA-N 0 1 381.881 3.195 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NCc2ncc(I)s2)n[nH]1 ZINC000286100682 565942158 /nfs/dbraw/zinc/94/21/58/565942158.db2.gz TYZAJGHWLUOZGM-YUMQZZPRSA-N 0 1 391.282 3.230 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cnc3cccc(C)n23)c1 ZINC000414491163 565941849 /nfs/dbraw/zinc/94/18/49/565941849.db2.gz CFTUMSUZWJCNNP-UHFFFAOYSA-N 0 1 377.897 3.380 20 0 GGADMN COC(=O)[C@@H]1CN(C)CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000414492561 565941880 /nfs/dbraw/zinc/94/18/80/565941880.db2.gz RPQDOKNGQJJFIP-CQSZACIVSA-N 0 1 379.913 3.000 20 0 GGADMN CO[C@](C)([C@H](C)NCc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000414500267 565942362 /nfs/dbraw/zinc/94/23/62/565942362.db2.gz LBDGAJVKCRBBKH-YVEFUNNKSA-N 0 1 379.302 3.323 20 0 GGADMN CO[C@](C)([C@@H](C)NCc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000414500265 565943304 /nfs/dbraw/zinc/94/33/04/565943304.db2.gz LBDGAJVKCRBBKH-SJKOYZFVSA-N 0 1 379.302 3.323 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1OC ZINC000414529386 565945512 /nfs/dbraw/zinc/94/55/12/565945512.db2.gz CPKYULUXPGHPFI-RISCZKNCSA-N 0 1 380.229 3.105 20 0 GGADMN COC(=O)Cn1cc(CCN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000178918245 565945856 /nfs/dbraw/zinc/94/58/56/565945856.db2.gz DOMHJZVZSSYQBY-MRXNPFEDSA-N 0 1 383.279 3.138 20 0 GGADMN COc1cc(CN[C@H](C)C(=O)NC(C)C)cc(Br)c1OC(F)F ZINC000414545764 565946136 /nfs/dbraw/zinc/94/61/36/565946136.db2.gz RQCBVPWPWLDEFG-SECBINFHSA-N 0 1 395.244 3.062 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1n[nH]c2ccc(Br)cc21 ZINC000178924974 565946390 /nfs/dbraw/zinc/94/63/90/565946390.db2.gz WQIUSSBBEWOOGP-KMUNFCNLSA-N 0 1 376.254 3.013 20 0 GGADMN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000236898908 565947062 /nfs/dbraw/zinc/94/70/62/565947062.db2.gz VZHHPWMMPKBCIN-VIFPVBQESA-N 0 1 387.702 3.037 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000286188793 565947055 /nfs/dbraw/zinc/94/70/55/565947055.db2.gz AJEKEPUAYXREIG-SECBINFHSA-N 0 1 379.251 3.405 20 0 GGADMN O=C1CCCN1[C@@H]1CCCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000414547678 565947198 /nfs/dbraw/zinc/94/71/98/565947198.db2.gz ISDMFMQOPIJECE-MRXNPFEDSA-N 0 1 391.313 3.074 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](CO)c2ccc(F)cc2)c(OC)c1 ZINC000414531257 565947221 /nfs/dbraw/zinc/94/72/21/565947221.db2.gz RONRVDOKEVGHQG-ZDUSSCGKSA-N 0 1 398.272 3.471 20 0 GGADMN CS(=O)(=O)CC1(CNCc2ccc(Cl)cc2Br)CCC1 ZINC000414552764 565947997 /nfs/dbraw/zinc/94/79/97/565947997.db2.gz HIJHKSTWAVVYGI-UHFFFAOYSA-N 0 1 380.735 3.407 20 0 GGADMN CN(C)c1cc(Cl)cc(Cl)c1CNCC1(CS(C)(=O)=O)CCC1 ZINC000414559648 565948295 /nfs/dbraw/zinc/94/82/95/565948295.db2.gz VKMDENCSQGYFKJ-UHFFFAOYSA-N 0 1 379.353 3.364 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2ccn(C)c2c1 ZINC000178955060 565949033 /nfs/dbraw/zinc/94/90/33/565949033.db2.gz QUJRBSXWKUFJOE-UHFFFAOYSA-N 0 1 378.837 3.419 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(Br)cc(Br)c2)n[nH]1 ZINC000286283989 565951551 /nfs/dbraw/zinc/95/15/51/565951551.db2.gz HATIVEKMRSPNIM-ZCFIWIBFSA-N 0 1 388.063 3.129 20 0 GGADMN Cc1nc([C@H](C)NC(=O)CCc2nc3cc(Br)ccc3s2)n[nH]1 ZINC000286277562 565951828 /nfs/dbraw/zinc/95/18/28/565951828.db2.gz GQAHHNZTYQFGRK-QMMMGPOBSA-N 0 1 394.298 3.295 20 0 GGADMN COc1cc(C[N@@H+](C)CCCC(=O)[O-])cc(Br)c1OC(F)F ZINC000414634349 565952504 /nfs/dbraw/zinc/95/25/04/565952504.db2.gz BNODGUINZFZVEZ-UHFFFAOYSA-N 0 1 382.201 3.356 20 0 GGADMN COCCC[C@@H](CNC(=O)CSc1nnc(C)[nH]1)c1ccc(Cl)cc1 ZINC000286311247 565953072 /nfs/dbraw/zinc/95/30/72/565953072.db2.gz KKPPDRZTJQOTLA-AWEZNQCLSA-N 0 1 382.917 3.185 20 0 GGADMN COCCC[C@@H](CNC(=O)CSc1nc(C)n[nH]1)c1ccc(Cl)cc1 ZINC000286311247 565953077 /nfs/dbraw/zinc/95/30/77/565953077.db2.gz KKPPDRZTJQOTLA-AWEZNQCLSA-N 0 1 382.917 3.185 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2ccc(Br)cc2Br)n[nH]1 ZINC000286319428 565954064 /nfs/dbraw/zinc/95/40/64/565954064.db2.gz JOYGEJUQNKPJBR-LURJTMIESA-N 0 1 388.063 3.129 20 0 GGADMN CCS[C@H]1CCC[C@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000286339948 565954099 /nfs/dbraw/zinc/95/40/99/565954099.db2.gz XKBRCRKLHMFUBU-CABCVRRESA-N 0 1 378.567 3.284 20 0 GGADMN CCS[C@@H]1CCC[C@@H]1NCc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000286339954 565954321 /nfs/dbraw/zinc/95/43/21/565954321.db2.gz XKBRCRKLHMFUBU-LSDHHAIUSA-N 0 1 378.567 3.284 20 0 GGADMN COCCNCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000237258267 565955022 /nfs/dbraw/zinc/95/50/22/565955022.db2.gz LZWYVQXRXFJINW-UHFFFAOYSA-N 0 1 384.299 3.056 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(C)cc3Br)CC2)c1 ZINC000179051547 565955813 /nfs/dbraw/zinc/95/58/13/565955813.db2.gz WTKPCWHQPUKNLR-UHFFFAOYSA-N 0 1 390.281 3.124 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)CCCCOc2ccc(Br)cc2)n[nH]1 ZINC000286376437 565956003 /nfs/dbraw/zinc/95/60/03/565956003.db2.gz MWHRJQXHAOATKL-LLVKDONJSA-N 0 1 381.274 3.302 20 0 GGADMN Cc1nc([C@H](C)NC(=O)CCCCOc2ccc(Br)cc2)n[nH]1 ZINC000286376440 565956025 /nfs/dbraw/zinc/95/60/25/565956025.db2.gz MWHRJQXHAOATKL-NSHDSACASA-N 0 1 381.274 3.302 20 0 GGADMN CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000286373129 565956162 /nfs/dbraw/zinc/95/61/62/565956162.db2.gz YTJNBSKMPGVICX-GHMZBOCLSA-N 0 1 381.523 3.256 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000237327558 565956323 /nfs/dbraw/zinc/95/63/23/565956323.db2.gz KRPQCYBOBHIKRY-SGTLLEGYSA-N 0 1 391.284 3.350 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000237328226 565956454 /nfs/dbraw/zinc/95/64/54/565956454.db2.gz KRPQCYBOBHIKRY-KPZWWZAWSA-N 0 1 391.284 3.350 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000286393944 565957094 /nfs/dbraw/zinc/95/70/94/565957094.db2.gz NVGQMPHFJLDHCP-LURJTMIESA-N 0 1 377.164 3.385 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H](C)c3nncn3C)n2)cc1Br ZINC000286422339 565958779 /nfs/dbraw/zinc/95/87/79/565958779.db2.gz GQCAQLPHJMAHQM-MRVPVSSYSA-N 0 1 395.286 3.225 20 0 GGADMN C[C@@H](NC(=O)[C@H](N)c1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC000237422230 565958965 /nfs/dbraw/zinc/95/89/65/565958965.db2.gz VFFPFUHEHGIMKF-PIGZYNQJSA-N 0 1 391.265 3.098 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cc1Br ZINC000237478143 565961610 /nfs/dbraw/zinc/96/16/10/565961610.db2.gz HTUYFPDHUOFXCQ-SJKOYZFVSA-N 0 1 389.293 3.349 20 0 GGADMN CO[C@@H](C)c1nc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cs1 ZINC000286478217 565962030 /nfs/dbraw/zinc/96/20/30/565962030.db2.gz ABMSHVRSYAFAMG-ZETCQYMHSA-N 0 1 382.841 3.261 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(C(F)(F)F)ccc2Br)n[nH]1 ZINC000286526662 565964289 /nfs/dbraw/zinc/96/42/89/565964289.db2.gz YGCJVRUWHYMLAO-ZCFIWIBFSA-N 0 1 377.164 3.385 20 0 GGADMN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)CNC[C@@H]2CCCO2)s1 ZINC000237604800 565965341 /nfs/dbraw/zinc/96/53/41/565965341.db2.gz QMWKKOIBAFRJRG-HNNXBMFYSA-N 0 1 379.913 3.403 20 0 GGADMN COc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)c(Br)c1 ZINC000286527537 565965624 /nfs/dbraw/zinc/96/56/24/565965624.db2.gz NLCXOTLUZQUCTG-QAPCUYQASA-N 0 1 380.282 3.032 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000179217400 565966030 /nfs/dbraw/zinc/96/60/30/565966030.db2.gz KLAGJZBLUCKDLI-UGSOOPFHSA-N 0 1 388.309 3.016 20 0 GGADMN O=C(NCCCc1ccc(Br)cc1F)[C@@H]1Cc2ccccc2CN1 ZINC000237695436 565967369 /nfs/dbraw/zinc/96/73/69/565967369.db2.gz ISKACNYJPXXRJE-SFHVURJKSA-N 0 1 391.284 3.352 20 0 GGADMN COC(=O)[C@H]1CC12CCN(Cc1nc3cc(Br)ccc3o1)CC2 ZINC000286566579 565967938 /nfs/dbraw/zinc/96/79/38/565967938.db2.gz VSYWNOYHSXCIAD-GFCCVEGCSA-N 0 1 379.254 3.365 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(Cc1nc3cc(Br)ccc3o1)CC2 ZINC000286566589 565968048 /nfs/dbraw/zinc/96/80/48/565968048.db2.gz VSYWNOYHSXCIAD-LBPRGKRZSA-N 0 1 379.254 3.365 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)[C@H]1NCCc2ccccc21 ZINC000237721928 565969094 /nfs/dbraw/zinc/96/90/94/565969094.db2.gz KTXHVDAEAGLQNY-KRWDZBQOSA-N 0 1 377.257 3.134 20 0 GGADMN OCC[C@H](CNCc1ncc(I)s1)c1ccccc1 ZINC000286586887 565969193 /nfs/dbraw/zinc/96/91/93/565969193.db2.gz QLLSLXNGSJQHHK-GFCCVEGCSA-N 0 1 388.274 3.004 20 0 GGADMN C[C@@H](CNc1ccc(Br)cn1)N1CCN(c2ccccc2)CC1 ZINC000606893400 565972333 /nfs/dbraw/zinc/97/23/33/565972333.db2.gz RCRWCTFPTLTNBF-HNNXBMFYSA-N 0 1 375.314 3.467 20 0 GGADMN Brc1cccc(-c2noc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000361750819 565972588 /nfs/dbraw/zinc/97/25/88/565972588.db2.gz JZGVQRUHWCHFQY-UONOGXRCSA-N 0 1 378.270 3.358 20 0 GGADMN Cc1ccc(Cc2cnc(NC(=O)CNC[C@@H]3CCCO3)s2)cc1Cl ZINC000237828631 565972778 /nfs/dbraw/zinc/97/27/78/565972778.db2.gz DOCCBGYBMXQZEL-AWEZNQCLSA-N 0 1 379.913 3.403 20 0 GGADMN Brc1cccc(-c2noc(CN3CC[C@H]([C@H]4CCOC4)C3)n2)c1 ZINC000361750817 565972958 /nfs/dbraw/zinc/97/29/58/565972958.db2.gz JZGVQRUHWCHFQY-KBPBESRZSA-N 0 1 378.270 3.358 20 0 GGADMN [NH3+]C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCCC1 ZINC000237845048 565973068 /nfs/dbraw/zinc/97/30/68/565973068.db2.gz UZZGLTJSBBZIKZ-UHFFFAOYSA-N 0 1 399.713 3.182 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)c(O)cc2F)no1 ZINC000286671336 565973979 /nfs/dbraw/zinc/97/39/79/565973979.db2.gz HFBUPQRKKYZNHY-QMMMGPOBSA-N 0 1 387.820 3.180 20 0 GGADMN Cc1nc(CCNCc2ncc(I)s2)sc1C ZINC000286690976 565974937 /nfs/dbraw/zinc/97/49/37/565974937.db2.gz VYFJVYXPMYKQIF-UHFFFAOYSA-N 0 1 379.292 3.153 20 0 GGADMN O=C(Cc1ccccc1Br)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179347445 565974981 /nfs/dbraw/zinc/97/49/81/565974981.db2.gz NSGKAHVAWRLLBY-CQSZACIVSA-N 0 1 389.297 3.393 20 0 GGADMN Cc1ccc(Br)c(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000179346863 565975295 /nfs/dbraw/zinc/97/52/95/565975295.db2.gz NXQGKFGUMNKNFJ-CQSZACIVSA-N 0 1 384.318 3.236 20 0 GGADMN Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccco2)c(Br)n1 ZINC000286708567 565975904 /nfs/dbraw/zinc/97/59/04/565975904.db2.gz QGVGKXFNASWXOD-UHFFFAOYSA-N 0 1 380.286 3.340 20 0 GGADMN OC[C@@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC[C@@H]1C(F)(F)F ZINC000286716115 565976235 /nfs/dbraw/zinc/97/62/35/565976235.db2.gz WYHRDEKEABWYQU-CFVMTHIKSA-N 0 1 376.806 3.326 20 0 GGADMN O[C@H](CNCc1csc(-c2cccc(Br)c2)n1)COCC1CC1 ZINC000237981525 565977045 /nfs/dbraw/zinc/97/70/45/565977045.db2.gz GXVRYZGTPOESLV-MRXNPFEDSA-N 0 1 397.338 3.450 20 0 GGADMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)c(C)s1 ZINC000179369615 565977580 /nfs/dbraw/zinc/97/75/80/565977580.db2.gz UKJCMADIVADEDQ-CHWSQXEVSA-N 0 1 380.535 3.446 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ncccc2c1 ZINC000179386466 565977806 /nfs/dbraw/zinc/97/78/06/565977806.db2.gz OEXWHNFPQIKWIM-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237995923 565977983 /nfs/dbraw/zinc/97/79/83/565977983.db2.gz PLRZVKRRNKYFKB-PELKAZGASA-N 0 1 399.713 3.037 20 0 GGADMN N[C@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000238022777 565978267 /nfs/dbraw/zinc/97/82/67/565978267.db2.gz HBDNRNBGSHXOSD-KDOFPFPSSA-N 0 1 388.309 3.092 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CCN1 ZINC000415207299 565978344 /nfs/dbraw/zinc/97/83/44/565978344.db2.gz FERINSHWWNGUMO-LBPRGKRZSA-N 0 1 391.269 3.462 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000362390208 565979565 /nfs/dbraw/zinc/97/95/65/565979565.db2.gz SNSXNGQXQCIGPL-UHFFFAOYSA-N 0 1 377.286 3.080 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CCN1 ZINC000415231177 565980920 /nfs/dbraw/zinc/98/09/20/565980920.db2.gz RCGLAULJEHAXLA-NSHDSACASA-N 0 1 395.326 3.322 20 0 GGADMN OCC1(NCc2coc(-c3ccc(I)cc3)n2)CCCC1 ZINC000179445775 565981101 /nfs/dbraw/zinc/98/11/01/565981101.db2.gz HIQAWFGUDIUMTE-UHFFFAOYSA-N 0 1 398.244 3.341 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(I)cc1 ZINC000179465815 565981933 /nfs/dbraw/zinc/98/19/33/565981933.db2.gz DUHVSNQLEXZORQ-NSHDSACASA-N 0 1 399.276 3.447 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccnc1Cl ZINC000286868592 565984010 /nfs/dbraw/zinc/98/40/10/565984010.db2.gz BPQUUFRVKAYQKW-CHWSQXEVSA-N 0 1 385.942 3.300 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000243679326 565986118 /nfs/dbraw/zinc/98/61/18/565986118.db2.gz PFVXAFRTPUBQEJ-UHFFFAOYSA-N 0 1 387.841 3.175 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000286936104 565986713 /nfs/dbraw/zinc/98/67/13/565986713.db2.gz GOJXSRLVIQTGAO-UGSOOPFHSA-N 0 1 382.913 3.022 20 0 GGADMN CC1(C)CC[C@@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000286940770 565988314 /nfs/dbraw/zinc/98/83/14/565988314.db2.gz FDBQWHYCVCXBDA-ZDUSSCGKSA-N 0 1 396.228 3.463 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H](CCC(N)=O)C2)ccc1Br ZINC000245400265 565988439 /nfs/dbraw/zinc/98/84/39/565988439.db2.gz XTUZWWXWOQZTBC-KGLIPLIRSA-N 0 1 396.329 3.062 20 0 GGADMN O=S(=O)(c1cccc(F)c1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000363051876 565988562 /nfs/dbraw/zinc/98/85/62/565988562.db2.gz LQGWJCVPSPLNBI-UHFFFAOYSA-N 0 1 377.363 3.136 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](CCC(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000245396205 565989030 /nfs/dbraw/zinc/98/90/30/565989030.db2.gz KJOBMVGUFCKMAP-OLZOCXBDSA-N 0 1 386.323 3.148 20 0 GGADMN C[C@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(Cl)cn1 ZINC000286963157 565989328 /nfs/dbraw/zinc/98/93/28/565989328.db2.gz IARQYIOOYKVRFO-GXTWGEPZSA-N 0 1 385.942 3.300 20 0 GGADMN COCCOC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000245468152 565991908 /nfs/dbraw/zinc/99/19/08/565991908.db2.gz ZUIJHRDANNDBRP-QWHCGFSZSA-N 0 1 375.296 3.305 20 0 GGADMN O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1CCCc2cn[nH]c21 ZINC000287012787 565992232 /nfs/dbraw/zinc/99/22/32/565992232.db2.gz QVIADPJNPZQMDB-CYBMUJFWSA-N 0 1 385.212 3.327 20 0 GGADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cn1 ZINC000287039275 565993062 /nfs/dbraw/zinc/99/30/62/565993062.db2.gz MFOVYFACTGNQPK-GDBMZVCRSA-N 0 1 382.555 3.029 20 0 GGADMN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(Br)cc2O)c1 ZINC000179616235 565994363 /nfs/dbraw/zinc/99/43/63/565994363.db2.gz PQQRZLOAWPWOLW-UHFFFAOYSA-N 0 1 399.266 3.087 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000179647533 565996129 /nfs/dbraw/zinc/99/61/29/565996129.db2.gz NOYBDXUIASLYQB-UHFFFAOYSA-N 0 1 387.292 3.256 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C)ccc2Br)CCN1C[C@H](C)O ZINC000245582435 565997506 /nfs/dbraw/zinc/99/75/06/565997506.db2.gz HZGWYWHQRPGWLR-KBPBESRZSA-N 0 1 384.318 3.066 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(C)c(Br)c2)CCN1C[C@H](C)O ZINC000245594547 565997826 /nfs/dbraw/zinc/99/78/26/565997826.db2.gz RIDVXCFGFDLDFU-ZFWWWQNUSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179703341 566001076 /nfs/dbraw/zinc/00/10/76/566001076.db2.gz OCQOIBIEDRIDAS-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179705037 566001548 /nfs/dbraw/zinc/00/15/48/566001548.db2.gz ZSNFBBUERJRUAN-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN O=C([C@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1)N1CCCC1 ZINC000287197334 566003257 /nfs/dbraw/zinc/00/32/57/566003257.db2.gz DHADPFNNDUPSCH-LBPRGKRZSA-N 0 1 378.270 3.035 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245745100 566005209 /nfs/dbraw/zinc/00/52/09/566005209.db2.gz ACFYYYFDXCQERQ-UONOGXRCSA-N 0 1 388.986 3.346 20 0 GGADMN C[C@@H](C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000245762272 566006075 /nfs/dbraw/zinc/00/60/75/566006075.db2.gz QHKSNUXMSWUDJN-LSDHHAIUSA-N 0 1 395.341 3.264 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCC[N@@H+](CC)CC2)cc1OC ZINC000363442008 566006258 /nfs/dbraw/zinc/00/62/58/566006258.db2.gz OJBJGLMNRUFOTD-UHFFFAOYSA-N 0 1 385.302 3.024 20 0 GGADMN C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000245771773 566006620 /nfs/dbraw/zinc/00/66/20/566006620.db2.gz SLHUDULFQOQPCP-QLFBSQMISA-N 0 1 383.330 3.168 20 0 GGADMN C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1 ZINC000245771776 566006801 /nfs/dbraw/zinc/00/68/01/566006801.db2.gz SLHUDULFQOQPCP-RBSFLKMASA-N 0 1 383.330 3.168 20 0 GGADMN C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Br)cc1[O-] ZINC000179769840 566007332 /nfs/dbraw/zinc/00/73/32/566007332.db2.gz NICNUVDRRANZLG-UHFFFAOYSA-N 0 1 383.311 3.420 20 0 GGADMN CCn1cc(Br)cc1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 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20 0 GGADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@H](C)O ZINC000247776400 566066998 /nfs/dbraw/zinc/06/69/98/566066998.db2.gz QTDQFUQBCUUTIG-GZBFAFLISA-N 0 1 388.339 3.097 20 0 GGADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@@H](C)O ZINC000247776404 566067166 /nfs/dbraw/zinc/06/71/66/566067166.db2.gz QTDQFUQBCUUTIG-UMVBOHGHSA-N 0 1 388.339 3.097 20 0 GGADMN COc1cc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)ccc1Cl ZINC000416441379 566068159 /nfs/dbraw/zinc/06/81/59/566068159.db2.gz QVAOPWKQCSTGSE-UHFFFAOYSA-N 0 1 386.876 3.028 20 0 GGADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCN1C[C@H](C)O ZINC000247881716 566068305 /nfs/dbraw/zinc/06/83/05/566068305.db2.gz ZKWSFHKOIQEBOB-KCQAQPDRSA-N 0 1 388.339 3.097 20 0 GGADMN O=C(c1ccccc1I)N1CCN(C2CCCCC2)CC1 ZINC000247963024 566070014 /nfs/dbraw/zinc/07/00/14/566070014.db2.gz YLZUFUULZYGKTM-UHFFFAOYSA-N 0 1 398.288 3.382 20 0 GGADMN NC(=O)C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180560847 566072546 /nfs/dbraw/zinc/07/25/46/566072546.db2.gz OJAOHROJALCYHU-JTQLQIEISA-N 0 1 377.229 3.138 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnc(Cl)c(C)c2)cc1 ZINC000288417789 566072730 /nfs/dbraw/zinc/07/27/30/566072730.db2.gz HALPXLJSRIWBIM-UHFFFAOYSA-N 0 1 388.898 3.028 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000288450719 566073770 /nfs/dbraw/zinc/07/37/70/566073770.db2.gz IHVJOKHVWGMYCB-GGZOMVNGSA-N 0 1 396.264 3.321 20 0 GGADMN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCc1nnc[nH]1 ZINC000248237504 566075283 /nfs/dbraw/zinc/07/52/83/566075283.db2.gz NAWJQUCPSSKTBJ-ZDUSSCGKSA-N 0 1 375.782 3.230 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccc(CN(C)Cc2cc(Br)cn2C)cc1 ZINC000180615584 566077220 /nfs/dbraw/zinc/07/72/20/566077220.db2.gz IPAROLXLCJNDAF-CYBMUJFWSA-N 0 1 395.297 3.360 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(CN(C)Cc2cc(Br)cn2C)cc1 ZINC000180615565 566077238 /nfs/dbraw/zinc/07/72/38/566077238.db2.gz IPAROLXLCJNDAF-ZDUSSCGKSA-N 0 1 395.297 3.360 20 0 GGADMN O=S1(=O)CC[C@@H](NCCc2nc3c(s2)CCCC3)c2cc(F)ccc21 ZINC000365042501 566080532 /nfs/dbraw/zinc/08/05/32/566080532.db2.gz MHIONLRSHYSKSR-CQSZACIVSA-N 0 1 380.510 3.212 20 0 GGADMN COCc1c(Br)cccc1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000180667126 566080833 /nfs/dbraw/zinc/08/08/33/566080833.db2.gz DDZXIQMZWAAOPN-INIZCTEOSA-N 0 1 384.318 3.399 20 0 GGADMN Cn1ccnc1C[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556754 566080978 /nfs/dbraw/zinc/08/09/78/566080978.db2.gz LDTPELHIKRMHNA-CXAGYDPISA-N 0 1 396.304 3.310 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CN(C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000248557439 566081465 /nfs/dbraw/zinc/08/14/65/566081465.db2.gz IMRAVCXJQVTMDQ-IVCQMTBJSA-N 0 1 381.925 3.258 20 0 GGADMN O=C1[C@H](N2CCC(c3nc[nH]n3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000365072106 566082152 /nfs/dbraw/zinc/08/21/52/566082152.db2.gz QJSFZWJNEAFCEY-OAHLLOKOSA-N 0 1 380.279 3.096 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000248578269 566082370 /nfs/dbraw/zinc/08/23/70/566082370.db2.gz DYHRWIAPXUTPPO-SDDRHHMPSA-N 0 1 392.302 3.290 20 0 GGADMN COC[C@@H](C)CS(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000416534709 566082437 /nfs/dbraw/zinc/08/24/37/566082437.db2.gz LJLHCWVLBPNZRU-WBMJQRKESA-N 0 1 385.917 3.356 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)C[C@@H]1C ZINC000248590690 566082550 /nfs/dbraw/zinc/08/25/50/566082550.db2.gz HCNRGHFBZKZRNU-SRVKXCTJSA-N 0 1 392.302 3.290 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000248578268 566082923 /nfs/dbraw/zinc/08/29/23/566082923.db2.gz DYHRWIAPXUTPPO-GRYCIOLGSA-N 0 1 392.302 3.290 20 0 GGADMN C[C@@H](c1cnccn1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000248619031 566083643 /nfs/dbraw/zinc/08/36/43/566083643.db2.gz LUKVWQCNYBRFNL-QWHCGFSZSA-N 0 1 390.285 3.046 20 0 GGADMN CC(C)(C)c1nc(CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000416545777 566084789 /nfs/dbraw/zinc/08/47/89/566084789.db2.gz REVMJFAIHDTKDA-UHFFFAOYSA-N 0 1 381.260 3.027 20 0 GGADMN O=S(=O)(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1c(F)cccc1F ZINC000180734928 566085887 /nfs/dbraw/zinc/08/58/87/566085887.db2.gz RBGNWRNHOLPWBI-LSDHHAIUSA-N 0 1 375.343 3.052 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000180747677 566086696 /nfs/dbraw/zinc/08/66/96/566086696.db2.gz VCYNCMYNTNJBQN-OCCSQVGLSA-N 0 1 395.352 3.133 20 0 GGADMN C[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000180747660 566086719 /nfs/dbraw/zinc/08/67/19/566086719.db2.gz VCYNCMYNTNJBQN-JSGCOSHPSA-N 0 1 395.352 3.133 20 0 GGADMN C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000180747694 566086730 /nfs/dbraw/zinc/08/67/30/566086730.db2.gz VCYNCMYNTNJBQN-GXTWGEPZSA-N 0 1 395.352 3.133 20 0 GGADMN CCOCCO[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000180789915 566089381 /nfs/dbraw/zinc/08/93/81/566089381.db2.gz NWJPLSRWJILGFW-KRWDZBQOSA-N 0 1 382.298 3.352 20 0 GGADMN CCOCCO[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180789173 566089544 /nfs/dbraw/zinc/08/95/44/566089544.db2.gz DZAGBQMXWRAOIT-SFHVURJKSA-N 0 1 394.313 3.262 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000180823245 566091470 /nfs/dbraw/zinc/09/14/70/566091470.db2.gz FVVKVYGLDRZYNX-AWEZNQCLSA-N 0 1 391.313 3.139 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000248883458 566091556 /nfs/dbraw/zinc/09/15/56/566091556.db2.gz GJZBYLVTOBGJEK-SUMWQHHRSA-N 0 1 392.297 3.266 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCOc2c(Br)cccc21 ZINC000180820843 566091612 /nfs/dbraw/zinc/09/16/12/566091612.db2.gz HPTQHBXBRMXYKA-RISCZKNCSA-N 0 1 376.316 3.076 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000180827065 566091647 /nfs/dbraw/zinc/09/16/47/566091647.db2.gz VVTAWVKKFOYEEK-AWEZNQCLSA-N 0 1 391.313 3.139 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCOc2c(Br)cccc21 ZINC000180820825 566092131 /nfs/dbraw/zinc/09/21/31/566092131.db2.gz HPTQHBXBRMXYKA-SMDDNHRTSA-N 0 1 376.316 3.076 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1F ZINC000416593842 566092263 /nfs/dbraw/zinc/09/22/63/566092263.db2.gz OSWDIWGTTUJSTF-VXGBXAGGSA-N 0 1 384.256 3.339 20 0 GGADMN CN(Cc1ccc(Br)c(F)c1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000365277121 566092713 /nfs/dbraw/zinc/09/27/13/566092713.db2.gz NSUYBYYSKKJUNU-KRWDZBQOSA-N 0 1 399.304 3.190 20 0 GGADMN C[C@@H](NC(=O)CN1CCSC[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000249058041 566095434 /nfs/dbraw/zinc/09/54/34/566095434.db2.gz OXCKDVLZYSRDRV-CHWSQXEVSA-N 0 1 376.444 3.447 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c1Br ZINC000365313216 566095770 /nfs/dbraw/zinc/09/57/70/566095770.db2.gz IYEARUFAZYEITB-QGZVFWFLSA-N 0 1 376.254 3.006 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000249091117 566096778 /nfs/dbraw/zinc/09/67/78/566096778.db2.gz GUVKYMIWIAYTAD-UONOGXRCSA-N 0 1 385.291 3.104 20 0 GGADMN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1Br ZINC000180905984 566098007 /nfs/dbraw/zinc/09/80/07/566098007.db2.gz NMSCAKANTRNLHO-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)cc1Br ZINC000180906139 566098094 /nfs/dbraw/zinc/09/80/94/566098094.db2.gz JDVZWZKVJCEOHD-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3cc(Br)ccc3C)cc12 ZINC000180916522 566099289 /nfs/dbraw/zinc/09/92/89/566099289.db2.gz VQGWHGLHCCYPCZ-UHFFFAOYSA-N 0 1 381.255 3.138 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCN1CC(C)(C)O ZINC000249384009 566100272 /nfs/dbraw/zinc/10/02/72/566100272.db2.gz POPGDNFUZQZVMN-VHDGCEQUSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCN1CC(C)(C)O ZINC000249367875 566100545 /nfs/dbraw/zinc/10/05/45/566100545.db2.gz MTLBOOZDTSFGHI-YUELXQCFSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249291887 566100692 /nfs/dbraw/zinc/10/06/92/566100692.db2.gz ALIHSMZXZJTYRP-CHWSQXEVSA-N 0 1 388.339 3.097 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000180936114 566101240 /nfs/dbraw/zinc/10/12/40/566101240.db2.gz LWXRVJPCMCTNLE-NWDGAFQWSA-N 0 1 378.226 3.091 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000249428361 566101537 /nfs/dbraw/zinc/10/15/37/566101537.db2.gz YNLPBAQMWCDGGZ-YUELXQCFSA-N 0 1 385.335 3.401 20 0 GGADMN Cn1cc(-c2ncc(CN[C@@H]3CCc4c3cccc4Br)cn2)cn1 ZINC000365441451 566101562 /nfs/dbraw/zinc/10/15/62/566101562.db2.gz YBZPJPXBKSDSCJ-QGZVFWFLSA-N 0 1 384.281 3.417 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000289026115 566101916 /nfs/dbraw/zinc/10/19/16/566101916.db2.gz BUBGWSDTCJEHFR-CQSZACIVSA-N 0 1 380.901 3.045 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)s1 ZINC000416664191 566102007 /nfs/dbraw/zinc/10/20/07/566102007.db2.gz SAADZONDMZBAJS-UHFFFAOYSA-N 0 1 395.388 3.314 20 0 GGADMN O=C(c1cc(Cl)cc(Br)c1F)N1CCC(c2nc[nH]n2)CC1 ZINC000365455310 566102104 /nfs/dbraw/zinc/10/21/04/566102104.db2.gz CJKQYVJAXNNLAJ-UHFFFAOYSA-N 0 1 387.640 3.380 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000289026104 566102366 /nfs/dbraw/zinc/10/23/66/566102366.db2.gz BUBGWSDTCJEHFR-AWEZNQCLSA-N 0 1 380.901 3.045 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249434770 566102636 /nfs/dbraw/zinc/10/26/36/566102636.db2.gz ZWKJJYQLFYFFLW-QWHCGFSZSA-N 0 1 388.339 3.097 20 0 GGADMN COc1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(Br)c1 ZINC000289053711 566103036 /nfs/dbraw/zinc/10/30/36/566103036.db2.gz BNOUQEMCKFHLCF-RHSMWYFYSA-N 0 1 394.313 3.137 20 0 GGADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000180968705 566103336 /nfs/dbraw/zinc/10/33/36/566103336.db2.gz OCSCQSPKRNYNJP-GFCCVEGCSA-N 0 1 379.302 3.168 20 0 GGADMN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000181009532 566105545 /nfs/dbraw/zinc/10/55/45/566105545.db2.gz KPUHGQSJGQWTFB-MOPGFXCFSA-N 0 1 378.925 3.443 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N1CCC[C@H](C)C1 ZINC000249675472 566106915 /nfs/dbraw/zinc/10/69/15/566106915.db2.gz WSZMMVRKARWLNV-UONOGXRCSA-N 0 1 378.460 3.190 20 0 GGADMN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1Br ZINC000289124537 566108061 /nfs/dbraw/zinc/10/80/61/566108061.db2.gz RUUCPSVVOPMBMI-IUCAKERBSA-N 0 1 382.262 3.006 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000249817119 566108298 /nfs/dbraw/zinc/10/82/98/566108298.db2.gz LGBSCDJLWNNBJJ-JSGCOSHPSA-N 0 1 386.323 3.019 20 0 GGADMN C[C@@H](O)c1ncc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000289170255 566110081 /nfs/dbraw/zinc/11/00/81/566110081.db2.gz FFEZVZMQMRJWOH-NXEZZACHSA-N 0 1 377.293 3.033 20 0 GGADMN C[C@H](O)c1ncc(CNC[C@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000289170256 566110315 /nfs/dbraw/zinc/11/03/15/566110315.db2.gz FFEZVZMQMRJWOH-UWVGGRQHSA-N 0 1 377.293 3.033 20 0 GGADMN CCC[C@@]1(CO)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000365626934 566110878 /nfs/dbraw/zinc/11/08/78/566110878.db2.gz YLIRXLYADQXYNY-GOSISDBHSA-N 0 1 392.297 3.464 20 0 GGADMN c1nc(C2OCCO2)sc1CNc1ccccc1CN1CCSCC1 ZINC000289186593 566111534 /nfs/dbraw/zinc/11/15/34/566111534.db2.gz GNDMRBMRGKMKLV-UHFFFAOYSA-N 0 1 377.535 3.349 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@@H](C)O1 ZINC000251576349 566111907 /nfs/dbraw/zinc/11/19/07/566111907.db2.gz DRRQNWBBKODJJX-KJWYOANISA-N 0 1 395.341 3.168 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000289271290 566114475 /nfs/dbraw/zinc/11/44/75/566114475.db2.gz RQBJUFLMBSWEDN-RKDXNWHRSA-N 0 1 384.253 3.006 20 0 GGADMN CC(C)(CO)[C@H](NCC(=O)Nc1ccc(Br)cn1)c1cccs1 ZINC000289306221 566116543 /nfs/dbraw/zinc/11/65/43/566116543.db2.gz ITDKGTZYUWISGM-OAHLLOKOSA-N 0 1 398.326 3.194 20 0 GGADMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000289332475 566117025 /nfs/dbraw/zinc/11/70/25/566117025.db2.gz YJWASQFDIYXYQY-GJZGRUSLSA-N 0 1 390.285 3.395 20 0 GGADMN CC(C)[C@H](N[C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1nncn1C ZINC000289334972 566117535 /nfs/dbraw/zinc/11/75/35/566117535.db2.gz HCPHWTIHJAEZJX-LRDDRELGSA-N 0 1 394.317 3.282 20 0 GGADMN CC(C)[C@H](N[C@H](C)CC(=O)Nc1ccc(Br)cc1)c1nncn1C ZINC000289334978 566118883 /nfs/dbraw/zinc/11/88/83/566118883.db2.gz HCPHWTIHJAEZJX-WBMJQRKESA-N 0 1 394.317 3.282 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181170666 566120467 /nfs/dbraw/zinc/12/04/67/566120467.db2.gz CZLRVFMRJGNOOQ-FZMZJTMJSA-N 0 1 379.258 3.088 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181170625 566120617 /nfs/dbraw/zinc/12/06/17/566120617.db2.gz CZLRVFMRJGNOOQ-SMDDNHRTSA-N 0 1 379.258 3.088 20 0 GGADMN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181173067 566121631 /nfs/dbraw/zinc/12/16/31/566121631.db2.gz AVHHGDPIEIFLJU-FZMZJTMJSA-N 0 1 379.258 3.088 20 0 GGADMN CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000289431591 566122108 /nfs/dbraw/zinc/12/21/08/566122108.db2.gz DGIWBFVVYHMOIU-SECBINFHSA-N 0 1 394.280 3.341 20 0 GGADMN C[C@@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000289435208 566122222 /nfs/dbraw/zinc/12/22/22/566122222.db2.gz SNICRTBYORBJKS-YMTOWFKASA-N 0 1 383.436 3.088 20 0 GGADMN C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000289435199 566122805 /nfs/dbraw/zinc/12/28/05/566122805.db2.gz SNICRTBYORBJKS-LKFCYVNXSA-N 0 1 383.436 3.088 20 0 GGADMN Cc1cnn(C)c1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000289443053 566123080 /nfs/dbraw/zinc/12/30/80/566123080.db2.gz WRLUGDABWIHSDN-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN COCCC1(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)CCCC1 ZINC000261615064 566124593 /nfs/dbraw/zinc/12/45/93/566124593.db2.gz ADUYVNGGWIIYRE-QGZVFWFLSA-N 0 1 383.330 3.336 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N(c2cccc(F)c2)C2CCN(C)CC2)s1 ZINC000365889522 566124960 /nfs/dbraw/zinc/12/49/60/566124960.db2.gz DCWYIJOUIVWENO-UHFFFAOYSA-N 0 1 383.514 3.189 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261617997 566124993 /nfs/dbraw/zinc/12/49/93/566124993.db2.gz ANIBQRWWCOCKHJ-SJLPKXTDSA-N 0 1 382.346 3.004 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261619078 566125238 /nfs/dbraw/zinc/12/52/38/566125238.db2.gz ANIBQRWWCOCKHJ-WMZOPIPTSA-N 0 1 382.346 3.004 20 0 GGADMN C[C@](N)(C(=O)N1CCc2c(F)ccc(F)c2C1)c1ccc(Br)cc1 ZINC000261617956 566125321 /nfs/dbraw/zinc/12/53/21/566125321.db2.gz AMKDUNBCXZEAPK-GOSISDBHSA-N 0 1 395.247 3.486 20 0 GGADMN COc1cccc2c1CC[C@H]2NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261619433 566125402 /nfs/dbraw/zinc/12/54/02/566125402.db2.gz ARKCVXWJOWRQHO-APWZRJJASA-N 0 1 389.293 3.435 20 0 GGADMN C[C@@](N)(C(=O)Nc1nnc(C(F)F)s1)c1ccc(Br)cc1 ZINC000261631253 566126024 /nfs/dbraw/zinc/12/60/24/566126024.db2.gz BVSHFPBITZQQQR-LBPRGKRZSA-N 0 1 377.214 3.051 20 0 GGADMN O=C(N1CCC(c2nc[nH]n2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000365910671 566126122 /nfs/dbraw/zinc/12/61/22/566126122.db2.gz ZCBVXSOOZPFXNU-UHFFFAOYSA-N 0 1 375.270 3.005 20 0 GGADMN CSC1(CNCc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000289499971 566126479 /nfs/dbraw/zinc/12/64/79/566126479.db2.gz LXXVTQVZIBMIGF-UHFFFAOYSA-N 0 1 397.342 3.032 20 0 GGADMN C[C@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000261633301 566126696 /nfs/dbraw/zinc/12/66/96/566126696.db2.gz BYECIRXRAZDANR-KZULUSFZSA-N 0 1 395.272 3.346 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000289505493 566126667 /nfs/dbraw/zinc/12/66/67/566126667.db2.gz QIRLCEGNWHLLEB-UHFFFAOYSA-N 0 1 383.901 3.086 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1CCOc2ccc(F)cc21)c1ccc(Br)cc1 ZINC000261654376 566127434 /nfs/dbraw/zinc/12/74/34/566127434.db2.gz DSHWHWNKBSPNDT-CRAIPNDOSA-N 0 1 393.256 3.402 20 0 GGADMN CC(C)(C)c1nnc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)s1 ZINC000261643601 566127674 /nfs/dbraw/zinc/12/76/74/566127674.db2.gz CVQUSJWTRJJKPC-INIZCTEOSA-N 0 1 397.342 3.088 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181252053 566127807 /nfs/dbraw/zinc/12/78/07/566127807.db2.gz DXPAWOJOERQUNE-JKSUJKDBSA-N 0 1 379.291 3.499 20 0 GGADMN C[C@@](N)(C(=O)N[C@@H]1CCOc2ccc(F)cc21)c1ccc(Br)cc1 ZINC000261654386 566127870 /nfs/dbraw/zinc/12/78/70/566127870.db2.gz DSHWHWNKBSPNDT-QAPCUYQASA-N 0 1 393.256 3.402 20 0 GGADMN C[C@](N)(C(=O)NC[C@@H]1CCOc2ccccc21)c1ccc(Br)cc1 ZINC000261647601 566127925 /nfs/dbraw/zinc/12/79/25/566127925.db2.gz DFOFPHBPTGNICE-ORAYPTAESA-N 0 1 389.293 3.306 20 0 GGADMN CN(C)c1cccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000261651642 566127970 /nfs/dbraw/zinc/12/79/70/566127970.db2.gz DMWBXKJXXRAXIL-GOSISDBHSA-N 0 1 376.298 3.005 20 0 GGADMN CC(C)(C)c1ncc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)cn1 ZINC000261647652 566127988 /nfs/dbraw/zinc/12/79/88/566127988.db2.gz DGHSPFBLSCKJBK-KRWDZBQOSA-N 0 1 377.286 3.349 20 0 GGADMN C[C@](N)(C(=O)N[C@H]1CCOc2ccc(F)cc21)c1ccc(Br)cc1 ZINC000261654381 566128043 /nfs/dbraw/zinc/12/80/43/566128043.db2.gz DSHWHWNKBSPNDT-MAUKXSAKSA-N 0 1 393.256 3.402 20 0 GGADMN COc1cc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)ccc1C ZINC000261654578 566128152 /nfs/dbraw/zinc/12/81/52/566128152.db2.gz DUTYKTMFRHJTFW-GOSISDBHSA-N 0 1 377.282 3.256 20 0 GGADMN CN1CCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)Cc2ccccc21 ZINC000261649684 566128164 /nfs/dbraw/zinc/12/81/64/566128164.db2.gz DLDYQOAHZAIZGG-LJQANCHMSA-N 0 1 388.309 3.102 20 0 GGADMN O=C(c1cncc(Br)c1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261678129 566129146 /nfs/dbraw/zinc/12/91/46/566129146.db2.gz GSDPRAGKMYMYBB-OAHLLOKOSA-N 0 1 380.673 3.284 20 0 GGADMN Cc1cc(I)ccc1NC(=O)CN[C@H](C)c1cccnc1 ZINC000181287581 566129498 /nfs/dbraw/zinc/12/94/98/566129498.db2.gz YWKBRFSQQXKWHQ-GFCCVEGCSA-N 0 1 395.244 3.284 20 0 GGADMN Cc1cn[nH]c1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000289579071 566129723 /nfs/dbraw/zinc/12/97/23/566129723.db2.gz SKZNXMJBSAYYSX-ZDUSSCGKSA-N 0 1 378.192 3.323 20 0 GGADMN Fc1cc(F)c(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1Br ZINC000289589468 566129960 /nfs/dbraw/zinc/12/99/60/566129960.db2.gz GYGHPVDTCJDTLM-SDBXPKJASA-N 0 1 386.196 3.313 20 0 GGADMN C[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1ccc(F)cc1 ZINC000261714901 566130276 /nfs/dbraw/zinc/13/02/76/566130276.db2.gz JPQNCKLKXIEGDC-SGTLLEGYSA-N 0 1 395.272 3.346 20 0 GGADMN CCc1nc(CCNC(=O)[C@](C)(N)c2ccc(Br)cc2)cs1 ZINC000261722574 566130295 /nfs/dbraw/zinc/13/02/95/566130295.db2.gz KFQIHHKKAQWHKU-MRXNPFEDSA-N 0 1 382.327 3.001 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000365990166 566130442 /nfs/dbraw/zinc/13/04/42/566130442.db2.gz SPPRFACCXWAQLK-CHWSQXEVSA-N 0 1 377.897 3.304 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1Br ZINC000261710883 566130615 /nfs/dbraw/zinc/13/06/15/566130615.db2.gz LBAMNURQOPNAJM-UGFHNGPFSA-N 0 1 381.270 3.105 20 0 GGADMN C[C@](N)(C(=O)N[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000261726900 566130650 /nfs/dbraw/zinc/13/06/50/566130650.db2.gz KQBDYYMOMZHZDJ-YQVWRLOYSA-N 0 1 389.293 3.269 20 0 GGADMN Cc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc(Br)c1 ZINC000261708378 566130943 /nfs/dbraw/zinc/13/09/43/566130943.db2.gz IQQGFYTXZFFVGQ-UHFFFAOYSA-N 0 1 389.257 3.116 20 0 GGADMN O=C(NC[C@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000289617416 566131210 /nfs/dbraw/zinc/13/12/10/566131210.db2.gz YUVYJCCUQVLFFS-MRVPVSSYSA-N 0 1 375.338 3.052 20 0 GGADMN CC(C)c1nc([C@@H](C)NCc2cn(-c3ccccc3Br)nn2)n[nH]1 ZINC000289599902 566131641 /nfs/dbraw/zinc/13/16/41/566131641.db2.gz UUWMIHBDELPIHO-LLVKDONJSA-N 0 1 390.289 3.122 20 0 GGADMN C[C@@](N)(C(=O)N1CCC(OCC2CC2)CC1)c1ccc(Br)cc1 ZINC000261750838 566131727 /nfs/dbraw/zinc/13/17/27/566131727.db2.gz MPKZRVYHRQOGKF-SFHVURJKSA-N 0 1 381.314 3.041 20 0 GGADMN COc1cccc(Nc2nnc(SCCCN3CCN(C)CC3)s2)c1 ZINC000181301700 566131745 /nfs/dbraw/zinc/13/17/45/566131745.db2.gz LCFJAQWEOWSKHP-UHFFFAOYSA-N 0 1 379.555 3.020 20 0 GGADMN C[C@](N)(C(=O)N1CCC(OCC2CC2)CC1)c1ccc(Br)cc1 ZINC000261750837 566131818 /nfs/dbraw/zinc/13/18/18/566131818.db2.gz MPKZRVYHRQOGKF-GOSISDBHSA-N 0 1 381.314 3.041 20 0 GGADMN O=C(Nc1cc(Cl)ccc1F)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289618225 566131861 /nfs/dbraw/zinc/13/18/61/566131861.db2.gz WCRNSBVLPKGJPL-SECBINFHSA-N 0 1 381.757 3.402 20 0 GGADMN CC(C)COC1CCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261733308 566132068 /nfs/dbraw/zinc/13/20/68/566132068.db2.gz LDUBLNXUGFZJRK-SFHVURJKSA-N 0 1 383.330 3.287 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(C)c1F ZINC000181317520 566132772 /nfs/dbraw/zinc/13/27/72/566132772.db2.gz OVNYXDQRGQGEMB-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN CC(C)n1cc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000289623254 566133025 /nfs/dbraw/zinc/13/30/25/566133025.db2.gz FUFYOBUTYSGXKF-CQSZACIVSA-N 0 1 378.318 3.238 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000261781903 566133423 /nfs/dbraw/zinc/13/34/23/566133423.db2.gz RXLQEJDUOAKLKX-SFHVURJKSA-N 0 1 377.282 3.290 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000261759556 566133902 /nfs/dbraw/zinc/13/39/02/566133902.db2.gz PQQKAJWRSZZJOM-ZDUSSCGKSA-N 0 1 383.286 3.273 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000261759553 566133958 /nfs/dbraw/zinc/13/39/58/566133958.db2.gz PQQKAJWRSZZJOM-CYBMUJFWSA-N 0 1 383.286 3.273 20 0 GGADMN C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)nc1 ZINC000289651019 566134138 /nfs/dbraw/zinc/13/41/38/566134138.db2.gz IEUKKFOSSUTROU-ZDUSSCGKSA-N 0 1 383.311 3.110 20 0 GGADMN NC1(c2noc([C@H]3CCN(c4cccc(Br)c4)C3=O)n2)CCCC1 ZINC000261802185 566134665 /nfs/dbraw/zinc/13/46/65/566134665.db2.gz PFFCCCDNLDRBMZ-CYBMUJFWSA-N 0 1 391.269 3.081 20 0 GGADMN C[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)Oc1ccccc1 ZINC000261801459 566134881 /nfs/dbraw/zinc/13/48/81/566134881.db2.gz QXDCKBJVYNYYIF-SCLBCKFNSA-N 0 1 377.282 3.207 20 0 GGADMN COCc1cccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1 ZINC000261803793 566135054 /nfs/dbraw/zinc/13/50/54/566135054.db2.gz RGGDACWYDHZSRG-GOSISDBHSA-N 0 1 377.282 3.086 20 0 GGADMN NC1(c2noc(/C=C/c3cc(Br)c4c(c3)OCCO4)n2)CCC1 ZINC000261800121 566135204 /nfs/dbraw/zinc/13/52/04/566135204.db2.gz PCIFJPFKWBXHIS-NSCUHMNNSA-N 0 1 378.226 3.112 20 0 GGADMN C[C@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)Oc1ccccc1 ZINC000261799674 566135215 /nfs/dbraw/zinc/13/52/15/566135215.db2.gz QXDCKBJVYNYYIF-FZKQIMNGSA-N 0 1 377.282 3.207 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc(O)c(OC)cc1Br ZINC000289695171 566135562 /nfs/dbraw/zinc/13/55/62/566135562.db2.gz OKDQTPGKYSYDMD-CYBMUJFWSA-N 0 1 385.302 3.044 20 0 GGADMN NC1(c2noc([C@@H]3CC(=O)N(c4ccccc4Br)C3)n2)CCCC1 ZINC000261835008 566136684 /nfs/dbraw/zinc/13/66/84/566136684.db2.gz RLLXASPMFWGJKD-LLVKDONJSA-N 0 1 391.269 3.081 20 0 GGADMN Cc1c(Br)ccc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1F ZINC000289700555 566136903 /nfs/dbraw/zinc/13/69/03/566136903.db2.gz MELVOYDALGJZGK-GWCFXTLKSA-N 0 1 382.233 3.482 20 0 GGADMN C[C@@H](COc1cccc(F)c1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261837369 566137734 /nfs/dbraw/zinc/13/77/34/566137734.db2.gz UQNMLNWNSMXNIQ-SGTLLEGYSA-N 0 1 395.272 3.346 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)CN[C@H](c2cccs2)C(C)(C)CO)s1 ZINC000289735531 566137894 /nfs/dbraw/zinc/13/78/94/566137894.db2.gz KHZCYFBQFLDBTR-CYBMUJFWSA-N 0 1 382.555 3.185 20 0 GGADMN C[C@H](COc1cccc(F)c1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261837370 566138025 /nfs/dbraw/zinc/13/80/25/566138025.db2.gz UQNMLNWNSMXNIQ-XIKOKIGWSA-N 0 1 395.272 3.346 20 0 GGADMN C[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1ccccc1F ZINC000261884891 566138920 /nfs/dbraw/zinc/13/89/20/566138920.db2.gz ZMHMBFSUKAQPRX-SGTLLEGYSA-N 0 1 395.272 3.346 20 0 GGADMN CCn1nc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1C1CC1 ZINC000261881221 566139148 /nfs/dbraw/zinc/13/91/48/566139148.db2.gz ZDWUEHPGSLWVHG-KRWDZBQOSA-N 0 1 377.286 3.356 20 0 GGADMN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(Br)nc1 ZINC000289769951 566139326 /nfs/dbraw/zinc/13/93/26/566139326.db2.gz NLEQANLHKFFAOL-ZDUSSCGKSA-N 0 1 392.297 3.162 20 0 GGADMN O=C(c1ccc(Br)cn1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261869856 566139398 /nfs/dbraw/zinc/13/93/98/566139398.db2.gz SVMTVMUKTRGJDL-HNNXBMFYSA-N 0 1 380.673 3.284 20 0 GGADMN CC[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cnn(C)c1 ZINC000181459526 566141764 /nfs/dbraw/zinc/14/17/64/566141764.db2.gz DVDAEDOWXSNNNV-KRWDZBQOSA-N 0 1 393.329 3.260 20 0 GGADMN CN(Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCCC[C@@H]1O ZINC000181482871 566143190 /nfs/dbraw/zinc/14/31/90/566143190.db2.gz AUTLJQREKXPWQM-DOMZBBRYSA-N 0 1 380.286 3.482 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)n1 ZINC000262039121 566143873 /nfs/dbraw/zinc/14/38/73/566143873.db2.gz QAWAFTVZOCHFJP-INIZCTEOSA-N 0 1 376.913 3.012 20 0 GGADMN CN(CCN[C@@H]1CCSc2c(F)cccc21)S(=O)(=O)c1cccs1 ZINC000181500267 566143886 /nfs/dbraw/zinc/14/38/86/566143886.db2.gz QVDQZAKBYRCGLX-CQSZACIVSA-N 0 1 386.539 3.334 20 0 GGADMN C[C@@](N)(C(=O)N[C@@H]1CCOc2ccccc21)c1ccc(Br)cc1 ZINC000262024340 566144022 /nfs/dbraw/zinc/14/40/22/566144022.db2.gz ZJNRNQOJKXUSIZ-QAPCUYQASA-N 0 1 375.266 3.263 20 0 GGADMN CCSc1nnc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000262009042 566144723 /nfs/dbraw/zinc/14/47/23/566144723.db2.gz WDSLOSXVBQGKAB-CYBMUJFWSA-N 0 1 387.328 3.225 20 0 GGADMN C[C@@H](NCCN1CCNC1=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000289875307 566144920 /nfs/dbraw/zinc/14/49/20/566144920.db2.gz LVDHFDMGUVIXRP-LLVKDONJSA-N 0 1 395.326 3.248 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(Br)nc2)cc1 ZINC000289897680 566144943 /nfs/dbraw/zinc/14/49/43/566144943.db2.gz UDBUASDBDJTZPL-RYUDHWBXSA-N 0 1 398.326 3.164 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(Br)nc2)cc1 ZINC000289897677 566145624 /nfs/dbraw/zinc/14/56/24/566145624.db2.gz UDBUASDBDJTZPL-NWDGAFQWSA-N 0 1 398.326 3.164 20 0 GGADMN CCc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2cc(C)sc2C)s1 ZINC000181505083 566145780 /nfs/dbraw/zinc/14/57/80/566145780.db2.gz OXIPQMPZIDKDIV-LLVKDONJSA-N 0 1 387.596 3.321 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@H](CC(C)C)c2ccccn2)c(C)s1 ZINC000181506342 566145809 /nfs/dbraw/zinc/14/58/09/566145809.db2.gz PEDRYUTUAXRFEB-QGZVFWFLSA-N 0 1 381.567 3.415 20 0 GGADMN Cn1cc(-c2ncc(CNC3(c4cccc(Br)c4)CC3)cn2)cn1 ZINC000366283929 566145848 /nfs/dbraw/zinc/14/58/48/566145848.db2.gz PHJWMJZKYJYHEU-UHFFFAOYSA-N 0 1 384.281 3.419 20 0 GGADMN CN(CCN[C@H]1CCCOc2ccc(F)cc21)S(=O)(=O)c1cccs1 ZINC000181503171 566146099 /nfs/dbraw/zinc/14/60/99/566146099.db2.gz RGLRCYGRNOYJOP-HNNXBMFYSA-N 0 1 384.498 3.011 20 0 GGADMN CO[C@@H](CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)CC(C)C ZINC000417363015 566148208 /nfs/dbraw/zinc/14/82/08/566148208.db2.gz LDMYTURWRWGMNE-GHMZBOCLSA-N 0 1 383.341 3.353 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc(Br)c3)no1)C2 ZINC000262212301 566148466 /nfs/dbraw/zinc/14/84/66/566148466.db2.gz UIRCPKWUUNSSFI-YVEFUNNKSA-N 0 1 392.253 3.186 20 0 GGADMN O=C(C[C@H]1COCCN1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000262300629 566149682 /nfs/dbraw/zinc/14/96/82/566149682.db2.gz ZWHLCXFZGUXHFM-NSHDSACASA-N 0 1 386.304 3.358 20 0 GGADMN O=C1[C@H](NCc2cnn(CC(F)F)c2)CCN1c1ccc(Cl)cc1Cl ZINC000366367574 566149583 /nfs/dbraw/zinc/14/95/83/566149583.db2.gz YKLVHEPZAUUZHF-CYBMUJFWSA-N 0 1 389.233 3.350 20 0 GGADMN COC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000262357065 566150788 /nfs/dbraw/zinc/15/07/88/566150788.db2.gz GVKGBLNYZWYLKA-MRVPVSSYSA-N 0 1 376.322 3.272 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1NCCc2ccccc21 ZINC000262381763 566152047 /nfs/dbraw/zinc/15/20/47/566152047.db2.gz XYCLIQPLAVGVIH-QGZVFWFLSA-N 0 1 385.316 3.300 20 0 GGADMN COc1ccc(CNC2CCN(CC(F)(F)F)CC2)c(Br)c1O ZINC000290001293 566152385 /nfs/dbraw/zinc/15/23/85/566152385.db2.gz VCJMSYGAJRVRCT-UHFFFAOYSA-N 0 1 397.235 3.280 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000262493424 566153279 /nfs/dbraw/zinc/15/32/79/566153279.db2.gz GUSHXRHPTWCNLV-AWEZNQCLSA-N 0 1 376.831 3.312 20 0 GGADMN CCSc1ccccc1[C@@H](C)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000181633343 566153430 /nfs/dbraw/zinc/15/34/30/566153430.db2.gz IMHQSDYUUIQUGA-KGLIPLIRSA-N 0 1 385.576 3.346 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@H]2c3cc(Br)ccc3SC[C@H]2C)CCN1 ZINC000417530835 566154275 /nfs/dbraw/zinc/15/42/75/566154275.db2.gz YOPSIQOUDHCWHM-UEKVPHQBSA-N 0 1 384.343 3.235 20 0 GGADMN C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000181640532 566154986 /nfs/dbraw/zinc/15/49/86/566154986.db2.gz YJAPOJPEWHOSMB-RISCZKNCSA-N 0 1 393.452 3.252 20 0 GGADMN O=C(C[C@@H]1COCCN1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000262583824 566155172 /nfs/dbraw/zinc/15/51/72/566155172.db2.gz UYPMUQVNQRLLSH-QGZVFWFLSA-N 0 1 395.341 3.146 20 0 GGADMN CCCOc1ccc([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181638431 566155436 /nfs/dbraw/zinc/15/54/36/566155436.db2.gz ANFNDWHGRQOOQE-GDBMZVCRSA-N 0 1 383.535 3.022 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000262618408 566155454 /nfs/dbraw/zinc/15/54/54/566155454.db2.gz DKVAVJSMNXHOFA-QZTJIDSGSA-N 0 1 389.293 3.357 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 ZINC000262618412 566155631 /nfs/dbraw/zinc/15/56/31/566155631.db2.gz DKVAVJSMNXHOFA-ZWKOTPCHSA-N 0 1 389.293 3.357 20 0 GGADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000181662318 566156112 /nfs/dbraw/zinc/15/61/12/566156112.db2.gz CSOPVGWSQSVJOL-ICKUNSISSA-N 0 1 379.547 3.327 20 0 GGADMN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ncc(CSC)s2)cc1OC ZINC000417556750 566156442 /nfs/dbraw/zinc/15/64/42/566156442.db2.gz PXKGGZBHVNLDBV-CYBMUJFWSA-N 0 1 382.507 3.329 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C(=O)[O-])CC1 ZINC000262659770 566157011 /nfs/dbraw/zinc/15/70/11/566157011.db2.gz NKGYNIGYAXQSCO-SECBINFHSA-N 0 1 378.778 3.482 20 0 GGADMN COCCOCc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000290105938 566157226 /nfs/dbraw/zinc/15/72/26/566157226.db2.gz KOTKPAXLVWMVQQ-IBGZPJMESA-N 0 1 394.309 3.435 20 0 GGADMN COCCOCc1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000290105944 566157651 /nfs/dbraw/zinc/15/76/51/566157651.db2.gz KOTKPAXLVWMVQQ-LJQANCHMSA-N 0 1 394.309 3.435 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000262680302 566157762 /nfs/dbraw/zinc/15/77/62/566157762.db2.gz AKNPTKJEQRGHPD-UHFFFAOYSA-N 0 1 391.320 3.139 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000262688103 566157804 /nfs/dbraw/zinc/15/78/04/566157804.db2.gz DGCPKKICBDCOIB-UHFFFAOYSA-N 0 1 393.336 3.431 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000262714642 566158053 /nfs/dbraw/zinc/15/80/53/566158053.db2.gz MXYBIQVEESAXEM-FJBKBRRZSA-N 0 1 385.291 3.151 20 0 GGADMN COc1cc(F)c(Br)cc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000417563947 566158698 /nfs/dbraw/zinc/15/86/98/566158698.db2.gz FBZDFWUWBXCPSR-INIZCTEOSA-N 0 1 386.265 3.156 20 0 GGADMN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000181694496 566159256 /nfs/dbraw/zinc/15/92/56/566159256.db2.gz WXANXUDUMKPZHH-RISCZKNCSA-N 0 1 393.336 3.221 20 0 GGADMN COC(=O)c1cc(Br)cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1C ZINC000417568821 566159662 /nfs/dbraw/zinc/15/96/62/566159662.db2.gz PLKZOSJCLJVTJZ-SMDDNHRTSA-N 0 1 398.301 3.148 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CC(C)CN1CCO[C@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000182905805 566228676 /nfs/dbraw/zinc/22/86/76/566228676.db2.gz QFPQCDNHIJKKMM-GFCCVEGCSA-N 0 1 389.721 3.189 20 0 GGADMN COCCN1CC[C@@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000264970508 566229173 /nfs/dbraw/zinc/22/91/73/566229173.db2.gz QOAPGSUFWCULDK-OAHLLOKOSA-N 0 1 381.929 3.186 20 0 GGADMN O=C(CN1CCN(C2CCC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000264963271 566229252 /nfs/dbraw/zinc/22/92/52/566229252.db2.gz GTFGJPAZQLMAAG-UHFFFAOYSA-N 0 1 375.822 3.467 20 0 GGADMN COC(=O)[C@H]1CC12CCN(Cc1ccc(OC)c(OC)c1Br)CC2 ZINC000264991523 566229514 /nfs/dbraw/zinc/22/95/14/566229514.db2.gz BTRWKFDSOMYCLF-CYBMUJFWSA-N 0 1 398.297 3.241 20 0 GGADMN Brc1ccccc1CC1(NCc2cn(Cc3cccnc3)nn2)CC1 ZINC000291699980 566230738 /nfs/dbraw/zinc/23/07/38/566230738.db2.gz KAJAXUHLSNCTOM-UHFFFAOYSA-N 0 1 398.308 3.349 20 0 GGADMN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NOC/C=C/Cl ZINC000291695463 566231112 /nfs/dbraw/zinc/23/11/12/566231112.db2.gz BVTZWJMOCJLDFB-VUUYWXRKSA-N 0 1 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CC[C@H](NCc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183017610 566235267 /nfs/dbraw/zinc/23/52/67/566235267.db2.gz NIVQKHUPFZXRPL-INIZCTEOSA-N 0 1 383.311 3.337 20 0 GGADMN C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2)CCCC1)c1nnc[nH]1 ZINC000183035740 566235646 /nfs/dbraw/zinc/23/56/46/566235646.db2.gz IXNSOJMAWJPAOM-GFCCVEGCSA-N 0 1 392.301 3.439 20 0 GGADMN CCOc1cccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1OC(F)F ZINC000183107026 566237726 /nfs/dbraw/zinc/23/77/26/566237726.db2.gz CREZQQHRYFENPO-UKRRQHHQSA-N 0 1 377.453 3.132 20 0 GGADMN CCOc1cccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1OC(F)F ZINC000183106985 566237736 /nfs/dbraw/zinc/23/77/36/566237736.db2.gz CREZQQHRYFENPO-HIFRSBDPSA-N 0 1 377.453 3.132 20 0 GGADMN COC(=O)CC(C)(C)CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000183150175 566239519 /nfs/dbraw/zinc/23/95/19/566239519.db2.gz HLXIUQDWIVVJIC-UHFFFAOYSA-N 0 1 395.257 3.152 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nnc[nH]1 ZINC000183200779 566240518 /nfs/dbraw/zinc/24/05/18/566240518.db2.gz 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ZINC000183304154 566243634 /nfs/dbraw/zinc/24/36/34/566243634.db2.gz QYNINEZYZISVAR-VXGBXAGGSA-N 0 1 379.302 3.477 20 0 GGADMN Cc1nn(C)c(CNc2ccc3c(c2)nc(C)n3[C@H](C)CO)c1Br ZINC000419756734 566243739 /nfs/dbraw/zinc/24/37/39/566243739.db2.gz BHLVXKNZQJXFPW-SNVBAGLBSA-N 0 1 392.301 3.315 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cnn1C ZINC000183311686 566243807 /nfs/dbraw/zinc/24/38/07/566243807.db2.gz SLZSXGBBQGEMLU-RYUDHWBXSA-N 0 1 379.302 3.477 20 0 GGADMN Cc1c([C@H](C)NCC(=O)N[C@@H](C)c2ccc(Br)cc2)cnn1C ZINC000183337215 566244354 /nfs/dbraw/zinc/24/43/54/566244354.db2.gz FWBGDRKZNWEHMO-RYUDHWBXSA-N 0 1 379.302 3.019 20 0 GGADMN C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CCCC1)c1nnc[nH]1 ZINC000183343050 566244583 /nfs/dbraw/zinc/24/45/83/566244583.db2.gz LXZGYQAYMHHSPN-GFCCVEGCSA-N 0 1 392.301 3.439 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cnn1C ZINC000183339898 566244806 /nfs/dbraw/zinc/24/48/06/566244806.db2.gz FIUDPZOQZFJJLI-OLZOCXBDSA-N 0 1 393.329 3.189 20 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HMPGRGKWRMDLLQ-GUYCJALGSA-N 0 1 389.293 3.220 20 0 GGADMN O[C@H]([C@H]1CCCN(CCOc2cccc(Br)c2)C1)C(F)(F)F ZINC000444736187 566250512 /nfs/dbraw/zinc/25/05/12/566250512.db2.gz QBMCIXYOPQWOSM-SMDDNHRTSA-N 0 1 382.220 3.463 20 0 GGADMN O=C(CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccncc1 ZINC000481744551 566250553 /nfs/dbraw/zinc/25/05/53/566250553.db2.gz BOWZLONJUCBXRX-QGZVFWFLSA-N 0 1 378.245 3.085 20 0 GGADMN C[C@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000481745894 566250672 /nfs/dbraw/zinc/25/06/72/566250672.db2.gz DNACIRDUUPKETQ-BJOHPYRUSA-N 0 1 398.276 3.006 20 0 GGADMN C[C@@H]1CN(C(=O)CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000481750155 566250686 /nfs/dbraw/zinc/25/06/86/566250686.db2.gz XVPPIHAUEUIFQG-SEDUGSJDSA-N 0 1 399.304 3.265 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444758552 566250790 /nfs/dbraw/zinc/25/07/90/566250790.db2.gz OIAMAFIOYOCQDQ-HZMBPMFUSA-N 0 1 382.785 3.167 20 0 GGADMN C[C@@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000481745895 566250949 /nfs/dbraw/zinc/25/09/49/566250949.db2.gz DNACIRDUUPKETQ-PSLIRLAXSA-N 0 1 398.276 3.006 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Cl)ccc1C(F)(F)F ZINC000508911760 566251046 /nfs/dbraw/zinc/25/10/46/566251046.db2.gz DVVKJRASZMBDPK-UHFFFAOYSA-N 0 1 382.835 3.264 20 0 GGADMN C[C@H](NCC(=O)NCCOc1ccccc1)c1ccc(Br)s1 ZINC000444765205 566251226 /nfs/dbraw/zinc/25/12/26/566251226.db2.gz YSSIUCFRYITSDF-LBPRGKRZSA-N 0 1 383.311 3.356 20 0 GGADMN COCCCNC(=O)[C@H](C)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481760627 566251437 /nfs/dbraw/zinc/25/14/37/566251437.db2.gz KMVNMSUBAJTZPD-ZBEGNZNMSA-N 0 1 387.293 3.170 20 0 GGADMN CC(C)CCOCCNC(=O)CN[C@@H](C)c1ccc(Br)s1 ZINC000444763156 566251545 /nfs/dbraw/zinc/25/15/45/566251545.db2.gz SVKBSOHXLLIDRA-LBPRGKRZSA-N 0 1 377.348 3.340 20 0 GGADMN Cc1[nH]c(SC[C@H]2CCCN(S(C)(=O)=O)C2)nc1Cc1ccccc1 ZINC000481762477 566251576 /nfs/dbraw/zinc/25/15/76/566251576.db2.gz TXISQABQJOHNPS-INIZCTEOSA-N 0 1 379.551 3.073 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[nH]1 ZINC000444762060 566252188 /nfs/dbraw/zinc/25/21/88/566252188.db2.gz PPHPGXVGCHCSFJ-LLVKDONJSA-N 0 1 382.770 3.418 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)n1 ZINC000444762060 566252190 /nfs/dbraw/zinc/25/21/90/566252190.db2.gz PPHPGXVGCHCSFJ-LLVKDONJSA-N 0 1 382.770 3.418 20 0 GGADMN C[C@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(Br)s1 ZINC000444763198 566252308 /nfs/dbraw/zinc/25/23/08/566252308.db2.gz TWDHRDNIVUGIKV-AAEUAGOBSA-N 0 1 395.322 3.281 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCc1cc(Br)ccc1F ZINC000534736706 566252553 /nfs/dbraw/zinc/25/25/53/566252553.db2.gz WDJJBEKJVUYELI-UHFFFAOYSA-N 0 1 398.232 3.368 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000575124753 566253098 /nfs/dbraw/zinc/25/30/98/566253098.db2.gz DWZSJYSZMPYYLQ-MNOVXSKESA-N 0 1 383.926 3.036 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575123150 566253262 /nfs/dbraw/zinc/25/32/62/566253262.db2.gz ZAKFRGABPLUHTI-WCQYABFASA-N 0 1 394.269 3.108 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575123150 566253268 /nfs/dbraw/zinc/25/32/68/566253268.db2.gz ZAKFRGABPLUHTI-WCQYABFASA-N 0 1 394.269 3.108 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000444807038 566253281 /nfs/dbraw/zinc/25/32/81/566253281.db2.gz YHXZRLQMTMCTMQ-YOEHRIQHSA-N 0 1 375.296 3.088 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575123148 566253510 /nfs/dbraw/zinc/25/35/10/566253510.db2.gz ZAKFRGABPLUHTI-AAEUAGOBSA-N 0 1 394.269 3.108 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575123148 566253514 /nfs/dbraw/zinc/25/35/14/566253514.db2.gz ZAKFRGABPLUHTI-AAEUAGOBSA-N 0 1 394.269 3.108 20 0 GGADMN COCCc1nsc(NCCCCc2nc(-c3cccnc3)cs2)n1 ZINC000444830778 566254020 /nfs/dbraw/zinc/25/40/20/566254020.db2.gz YICIEULJKVUOHV-UHFFFAOYSA-N 0 1 375.523 3.102 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CC[C@H](C)[C@H](O)C2)C1=O ZINC000508991048 566254142 /nfs/dbraw/zinc/25/41/42/566254142.db2.gz LJDCALGNQYLSJV-AFAVFJNCSA-N 0 1 395.341 3.264 20 0 GGADMN Cn1cc(N2CCC[C@H](N[C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cn1 ZINC000534793138 566254307 /nfs/dbraw/zinc/25/43/07/566254307.db2.gz KJCREHUPIMRGNG-IRXDYDNUSA-N 0 1 379.291 3.499 20 0 GGADMN O=C(CCCNC(=O)c1ccsc1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000599344834 566254709 /nfs/dbraw/zinc/25/47/09/566254709.db2.gz JKZNLIKPLGZIMS-UHFFFAOYSA-N 0 1 376.869 3.104 20 0 GGADMN CN1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000599323879 566255477 /nfs/dbraw/zinc/25/54/77/566255477.db2.gz GGAVFEYEFIWEKZ-GFCCVEGCSA-N 0 1 377.229 3.151 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)Nc1cc(C)on1 ZINC000481836736 566256001 /nfs/dbraw/zinc/25/60/01/566256001.db2.gz LBSLOSVPLAHJDL-AWEZNQCLSA-N 0 1 380.286 3.059 20 0 GGADMN Cc1cc(Br)cc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000444902708 566257553 /nfs/dbraw/zinc/25/75/53/566257553.db2.gz WLGCTUJVTISWQD-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN Clc1ccc(CNc2ncnc3[nH]cnc32)c(I)c1 ZINC000444883333 566258125 /nfs/dbraw/zinc/25/81/25/566258125.db2.gz WGERYODXIHLCDF-UHFFFAOYSA-N 0 1 385.596 3.175 20 0 GGADMN O=C1CCCN1C[C@H]1CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000668715487 566258256 /nfs/dbraw/zinc/25/82/56/566258256.db2.gz LIHMQNDQHBEFSQ-AWEZNQCLSA-N 0 1 388.309 3.442 20 0 GGADMN COc1cc(C)[nH+]c(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1 ZINC000575188068 566258427 /nfs/dbraw/zinc/25/84/27/566258427.db2.gz IVYVIPHOTDXTMF-KRWDZBQOSA-N 0 1 391.265 3.173 20 0 GGADMN Cc1nccc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1Cl ZINC000509038817 566258352 /nfs/dbraw/zinc/25/83/52/566258352.db2.gz ODXDOGCWRNOLPM-UHFFFAOYSA-N 0 1 383.876 3.084 20 0 GGADMN CSc1cccc(S(=O)(=O)Nc2ccccc2SCCC(N)=O)c1 ZINC000509074326 566258892 /nfs/dbraw/zinc/25/88/92/566258892.db2.gz INLZGVYUCULZLU-UHFFFAOYSA-N 0 1 382.532 3.177 20 0 GGADMN CCc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)s1 ZINC000481873594 566259310 /nfs/dbraw/zinc/25/93/10/566259310.db2.gz KZRRQBTYIXWDHK-UHFFFAOYSA-N 0 1 381.523 3.297 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC(Nc3ccnc(C)c3Cl)CC2)cc1 ZINC000509066162 566259369 /nfs/dbraw/zinc/25/93/69/566259369.db2.gz NBYPTQRAYCUMKH-UHFFFAOYSA-N 0 1 379.913 3.039 20 0 GGADMN Cc1ccsc1S(=O)(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000462165122 566259354 /nfs/dbraw/zinc/25/93/54/566259354.db2.gz OYSCZSGXLVZKNE-UHFFFAOYSA-N 0 1 378.563 3.386 20 0 GGADMN O=C1CN(C2CCCC2)C(=O)N1Cc1nc2cccc(Br)c2[nH]1 ZINC000420032307 566260515 /nfs/dbraw/zinc/26/05/15/566260515.db2.gz MXYXVYALDCLHDQ-UHFFFAOYSA-N 0 1 377.242 3.032 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N=c3cc4ccc(Br)cn4[nH]3)[nH]n2)o1 ZINC000509082323 566260997 /nfs/dbraw/zinc/26/09/97/566260997.db2.gz PAEPNLOQRAJCOD-UHFFFAOYSA-N 0 1 386.209 3.063 20 0 GGADMN CN(C(=O)c1cc(Br)ccc1OC(F)F)[C@H]1CCCN(C)C1 ZINC000648300842 566261110 /nfs/dbraw/zinc/26/11/10/566261110.db2.gz GNIHEPZJEHAOOF-NSHDSACASA-N 0 1 377.229 3.217 20 0 GGADMN CC(C)C[C@@H]1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)N1C ZINC000420031561 566261389 /nfs/dbraw/zinc/26/13/89/566261389.db2.gz LWVZSKBPPLSZPX-GFCCVEGCSA-N 0 1 379.258 3.134 20 0 GGADMN C[NH+](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000555947125 566261953 /nfs/dbraw/zinc/26/19/53/566261953.db2.gz GPINOXSKHZOSOX-AWEZNQCLSA-N 0 1 392.830 3.339 20 0 GGADMN Cc1ccc2nc(CNC(=O)C[C@@H](C)n3cc(Br)cn3)[nH]c2c1 ZINC000648309081 566261992 /nfs/dbraw/zinc/26/19/92/566261992.db2.gz DPKVCSSQYKBGEE-LLVKDONJSA-N 0 1 376.258 3.098 20 0 GGADMN C[C@H](CC(=O)N1CCN(C)CC12CCCCC2)n1cc(Br)cn1 ZINC000648308093 566262241 /nfs/dbraw/zinc/26/22/41/566262241.db2.gz NLFSMQXMCAHWDM-CQSZACIVSA-N 0 1 383.334 3.074 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000575221214 566262526 /nfs/dbraw/zinc/26/25/26/566262526.db2.gz KERCJSBSIYZAIR-UHFFFAOYSA-N 0 1 385.917 3.328 20 0 GGADMN CSc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 ZINC000509099300 566262652 /nfs/dbraw/zinc/26/26/52/566262652.db2.gz NFSGZQVRWQGTTQ-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C)CC12CCCCC2)n1cc(Br)cn1 ZINC000648308092 566262819 /nfs/dbraw/zinc/26/28/19/566262819.db2.gz NLFSMQXMCAHWDM-AWEZNQCLSA-N 0 1 383.334 3.074 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)n1 ZINC000575241374 566263461 /nfs/dbraw/zinc/26/34/61/566263461.db2.gz WAURKFVDUFUTQF-UHFFFAOYSA-N 0 1 380.235 3.356 20 0 GGADMN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1ccncc1Br ZINC000481922034 566264536 /nfs/dbraw/zinc/26/45/36/566264536.db2.gz LZHBUPIWOYUSPK-UHFFFAOYSA-N 0 1 385.214 3.261 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)[C@@H](C)c2ccccc2)cc1O ZINC000668752991 566265007 /nfs/dbraw/zinc/26/50/07/566265007.db2.gz ZQLUGONXDQLWAB-SJCJKPOMSA-N 0 1 380.282 3.418 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481926433 566265569 /nfs/dbraw/zinc/26/55/69/566265569.db2.gz OMLJOMXEEAAEAS-UHFFFAOYSA-N 0 1 385.896 3.273 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](O)[C@@H](C)c2ccccc2)cc1O ZINC000668752993 566265724 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JCJYPPHZWUTOLE-UHFFFAOYSA-N 0 1 395.341 3.311 20 0 GGADMN CC[C@H](CC(F)(F)F)C(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000649544663 566373388 /nfs/dbraw/zinc/37/33/88/566373388.db2.gz NKLZZVSCTNNXIO-HQJQHLMTSA-N 0 1 379.745 3.176 20 0 GGADMN CC[C@H](CC(F)(F)F)C(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000649544664 566373495 /nfs/dbraw/zinc/37/34/95/566373495.db2.gz NKLZZVSCTNNXIO-RDDDGLTNSA-N 0 1 379.745 3.176 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)c1Br ZINC000626008642 566374254 /nfs/dbraw/zinc/37/42/54/566374254.db2.gz DBLBMHKCURYWFT-MRXNPFEDSA-N 0 1 395.341 3.169 20 0 GGADMN CC1(C)CN(CCOc2cccc(Br)c2)C[C@]2(CCCOC2)O1 ZINC000483347498 566375132 /nfs/dbraw/zinc/37/51/32/566375132.db2.gz ALTKGZDZOLIMHC-SFHVURJKSA-N 0 1 384.314 3.488 20 0 GGADMN COc1c(NC(=O)c2cc(-c3cccs3)n[nH]2)cc(Cl)cc1C(N)=O ZINC000576761930 566376097 /nfs/dbraw/zinc/37/60/97/566376097.db2.gz FINOEAKDTKIKJG-UHFFFAOYSA-N 0 1 376.825 3.151 20 0 GGADMN Cc1cnn(C)c1CN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000463028611 566376764 /nfs/dbraw/zinc/37/67/64/566376764.db2.gz LBJACHGSNZZULL-CYBMUJFWSA-N 0 1 382.302 3.103 20 0 GGADMN OC[C@]1(c2ccccc2)CCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000463021302 566377246 /nfs/dbraw/zinc/37/72/46/566377246.db2.gz ABISXXWUZZAZMB-IBGZPJMESA-N 0 1 390.277 3.314 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1cnc2ccsc2c1)c1ccco1 ZINC000510368947 566377744 /nfs/dbraw/zinc/37/77/44/566377744.db2.gz IABVHDNRNLAFRW-SWLSCSKDSA-N 0 1 379.507 3.297 20 0 GGADMN CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1cnc2ccsc2c1)c1ccco1 ZINC000510368945 566377937 /nfs/dbraw/zinc/37/79/37/566377937.db2.gz IABVHDNRNLAFRW-DOMZBBRYSA-N 0 1 379.507 3.297 20 0 GGADMN O=C(NCCN1CCC1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000483367763 566378132 /nfs/dbraw/zinc/37/81/32/566378132.db2.gz APRMISFOVZHPIH-KRWDZBQOSA-N 0 1 380.330 3.165 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000536503008 566378860 /nfs/dbraw/zinc/37/88/60/566378860.db2.gz UPAWDFNEQYKOPD-QMMMGPOBSA-N 0 1 393.296 3.283 20 0 GGADMN CC(C)N1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000510379313 566379107 /nfs/dbraw/zinc/37/91/07/566379107.db2.gz QUAMDBZHKAPJQN-UHFFFAOYSA-N 0 1 378.826 3.108 20 0 GGADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1cc(OC)ccc1Cl)c1ccco1 ZINC000510395852 566379257 /nfs/dbraw/zinc/37/92/57/566379257.db2.gz SDNUMAAEQRSDBN-WFASDCNBSA-N 0 1 386.901 3.349 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)n[nH]1 ZINC000536500332 566379836 /nfs/dbraw/zinc/37/98/36/566379836.db2.gz JUJKQYKKWYXENT-QMMMGPOBSA-N 0 1 380.367 3.126 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)s2)cs1 ZINC000536502544 566379883 /nfs/dbraw/zinc/37/98/83/566379883.db2.gz OKARFDCDILQSQC-SECBINFHSA-N 0 1 397.551 3.461 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccco1 ZINC000510391400 566380245 /nfs/dbraw/zinc/38/02/45/566380245.db2.gz BFWKPCLKUHSJEP-SWLSCSKDSA-N 0 1 386.901 3.349 20 0 GGADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC)c1ccco1 ZINC000510417953 566381051 /nfs/dbraw/zinc/38/10/51/566381051.db2.gz ZBYYPSLNXVVXSM-GXTWGEPZSA-N 0 1 386.901 3.349 20 0 GGADMN CCOC(=O)c1cnc(NCc2nc3cccc(Br)c3[nH]2)nc1C ZINC000576821127 566381364 /nfs/dbraw/zinc/38/13/64/566381364.db2.gz XPKJLFSNSCSOMJ-UHFFFAOYSA-N 0 1 390.241 3.213 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cnc(C(=O)OC)c(Cl)c2)cc1C ZINC000557385379 566381613 /nfs/dbraw/zinc/38/16/13/566381613.db2.gz SUWULXGDLQZZFA-UHFFFAOYSA-N 0 1 384.841 3.030 20 0 GGADMN COC1CCN(CCNC(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000670802712 566381481 /nfs/dbraw/zinc/38/14/81/566381481.db2.gz MIMHSVMUYBLKFT-UHFFFAOYSA-N 0 1 393.684 3.082 20 0 GGADMN CN1CCCC[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000600985384 566382147 /nfs/dbraw/zinc/38/21/47/566382147.db2.gz ATAJGCYMYKATMF-QGZVFWFLSA-N 0 1 395.341 3.098 20 0 GGADMN CCc1ncc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447068495 566382747 /nfs/dbraw/zinc/38/27/47/566382747.db2.gz RJKQMIWFRVBHNS-CQSZACIVSA-N 0 1 380.311 3.363 20 0 GGADMN CC(C)(C)[NH+]=c1[n-]nc(-c2ccccc2Br)n1C[C@@H]1CCOC1 ZINC000463096954 566384117 /nfs/dbraw/zinc/38/41/17/566384117.db2.gz FCTAMGXSYXCQSQ-LBPRGKRZSA-N 0 1 379.302 3.376 20 0 GGADMN O=C1[C@@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CCN1CC(F)(F)F ZINC000626101549 566384273 /nfs/dbraw/zinc/38/42/73/566384273.db2.gz WYYAHUJDZBWSGB-OLZOCXBDSA-N 0 1 385.213 3.170 20 0 GGADMN O=C(CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1)NCc1ccccc1F ZINC000626100494 566384871 /nfs/dbraw/zinc/38/48/71/566384871.db2.gz OXRISGJOQZGXOM-KRWDZBQOSA-N 0 1 385.266 3.462 20 0 GGADMN Cc1ccc2ncc(CN[C@H]3CCN(c4cccc(Br)c4)C3=O)n2c1 ZINC000447074784 566384974 /nfs/dbraw/zinc/38/49/74/566384974.db2.gz CTJFLVBSPYFKEW-KRWDZBQOSA-N 0 1 399.292 3.300 20 0 GGADMN COCC[C@]1(NCc2nc(-c3ccc(Br)cc3)c[nH]2)CCOC1 ZINC000447077694 566385031 /nfs/dbraw/zinc/38/50/31/566385031.db2.gz OLZMDNYIWQINTP-KRWDZBQOSA-N 0 1 380.286 3.124 20 0 GGADMN CC[C@@](NS(=O)(=O)c1cc(C)oc1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510467868 566385038 /nfs/dbraw/zinc/38/50/38/566385038.db2.gz TXHGVNVPKZPIGO-KRWDZBQOSA-N 0 1 385.869 3.307 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1Cl ZINC000510468011 566385214 /nfs/dbraw/zinc/38/52/14/566385214.db2.gz VVXYYZFCGJZZAL-NEPJUHHUSA-N 0 1 393.336 3.249 20 0 GGADMN CN(C)c1ccncc1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000447104160 566385836 /nfs/dbraw/zinc/38/58/36/566385836.db2.gz ZXQCVJVZSXAWEB-UHFFFAOYSA-N 0 1 386.297 3.386 20 0 GGADMN CN(Cc1nc2ccc(Br)cc2o1)CC(C)(C)CN1CCOCC1 ZINC000463115077 566386500 /nfs/dbraw/zinc/38/65/00/566386500.db2.gz INSWIVDRRFEQTA-UHFFFAOYSA-N 0 1 396.329 3.381 20 0 GGADMN CCC(O)(CC)CN(C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000626110528 566386641 /nfs/dbraw/zinc/38/66/41/566386641.db2.gz HLINCPLCFJDHIG-UHFFFAOYSA-N 0 1 379.245 3.149 20 0 GGADMN COc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1Br ZINC000510491461 566388170 /nfs/dbraw/zinc/38/81/70/566388170.db2.gz OUHDAUMWYZWEHW-UHFFFAOYSA-N 0 1 377.238 3.192 20 0 GGADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000576888465 566388545 /nfs/dbraw/zinc/38/85/45/566388545.db2.gz NQQDTGTUIBTWSF-ZFWWWQNUSA-N 0 1 387.261 3.409 20 0 GGADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000576888464 566388690 /nfs/dbraw/zinc/38/86/90/566388690.db2.gz NQQDTGTUIBTWSF-UKRRQHHQSA-N 0 1 387.261 3.409 20 0 GGADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000510504891 566389072 /nfs/dbraw/zinc/38/90/72/566389072.db2.gz BZKXHHRWQKFSSQ-UHFFFAOYSA-N 0 1 384.933 3.103 20 0 GGADMN Cc1cc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)sc1Br ZINC000536660206 566389948 /nfs/dbraw/zinc/38/99/48/566389948.db2.gz ZOMSQLVIPHOAEK-SNVBAGLBSA-N 0 1 383.315 3.021 20 0 GGADMN CC[C@]1(C)COCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000536649306 566390262 /nfs/dbraw/zinc/39/02/62/566390262.db2.gz PYDLCGAAQJLOAV-QGZVFWFLSA-N 0 1 378.270 3.480 20 0 GGADMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(Cl)c3ccccc32)CCSC1 ZINC000447152692 566390485 /nfs/dbraw/zinc/39/04/85/566390485.db2.gz KPDOUOORIATGMI-QGZVFWFLSA-N 0 1 384.954 3.209 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000447159951 566390698 /nfs/dbraw/zinc/39/06/98/566390698.db2.gz WRSMBFPYHJOAHE-BBRMVZONSA-N 0 1 392.309 3.211 20 0 GGADMN O=C([C@@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1)N1CCCC1 ZINC000463198738 566391442 /nfs/dbraw/zinc/39/14/42/566391442.db2.gz FFLMTGMKKBKICG-GFCCVEGCSA-N 0 1 378.270 3.035 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1nc2ccc(Br)cc2o1 ZINC000463214523 566391565 /nfs/dbraw/zinc/39/15/65/566391565.db2.gz SLGIPZKYWONPKS-CYBMUJFWSA-N 0 1 380.286 3.471 20 0 GGADMN CN(CC(=O)N1CCC[C@H]1Cc1ccccc1Br)[C@H]1CCSC1 ZINC000421622144 566392005 /nfs/dbraw/zinc/39/20/05/566392005.db2.gz ZXHZEYWHZMSKPH-HOTGVXAUSA-N 0 1 397.382 3.420 20 0 GGADMN Cc1cc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@H]2C)sc1Br ZINC000510537724 566393008 /nfs/dbraw/zinc/39/30/08/566393008.db2.gz JLZPTOLPBKIOQK-VXGBXAGGSA-N 0 1 393.372 3.066 20 0 GGADMN Cc1cc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)sc1Br ZINC000510537723 566393534 /nfs/dbraw/zinc/39/35/34/566393534.db2.gz JLZPTOLPBKIOQK-RYUDHWBXSA-N 0 1 393.372 3.066 20 0 GGADMN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(Br)c1O ZINC000536690180 566394562 /nfs/dbraw/zinc/39/45/62/566394562.db2.gz KMMUHQHQCNCWBA-GFCCVEGCSA-N 0 1 392.249 3.457 20 0 GGADMN COc1ccc(CNC[C@](C)(CO)Cc2ccccc2)c(Br)c1O ZINC000483631309 566394787 /nfs/dbraw/zinc/39/47/87/566394787.db2.gz BDHSRXWPXVWGTE-LJQANCHMSA-N 0 1 394.309 3.494 20 0 GGADMN O=c1[n-]nc([C@@H]2CCC[N@H+](Cc3ccc(Br)c4cccnc34)C2)o1 ZINC000670984612 566394811 /nfs/dbraw/zinc/39/48/11/566394811.db2.gz GQLNOXNKJRZQEI-GFCCVEGCSA-N 0 1 389.253 3.466 20 0 GGADMN C[C@@H](CO)C1CCN(Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000649798963 566395144 /nfs/dbraw/zinc/39/51/44/566395144.db2.gz LPTBMMMGIIIORT-ZDUSSCGKSA-N 0 1 384.314 3.451 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCC([C@@H](C)CO)CC2)ccc1Br ZINC000649801454 566395208 /nfs/dbraw/zinc/39/52/08/566395208.db2.gz RLNIUUCFPDBYBI-KBPBESRZSA-N 0 1 383.330 3.425 20 0 GGADMN O=C(NCc1cc(Br)cc2c1OCC2)c1cn[nH]c1-c1ccccn1 ZINC000557540852 566395064 /nfs/dbraw/zinc/39/50/64/566395064.db2.gz JJDMZWVDJBIRNV-UHFFFAOYSA-N 0 1 399.248 3.099 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Br)c1O)c1ccc2c(c1)CC(=O)N2 ZINC000536688234 566395097 /nfs/dbraw/zinc/39/50/97/566395097.db2.gz RXNJCMSRLINTQZ-SECBINFHSA-N 0 1 375.222 3.140 20 0 GGADMN NC1(c2noc(-c3cc(I)c(F)cc3F)n2)CCCC1 ZINC000576990450 566395454 /nfs/dbraw/zinc/39/54/54/566395454.db2.gz RKJDPXVBZNHKNW-UHFFFAOYSA-N 0 1 391.159 3.347 20 0 GGADMN O=c1[n-]nc([C@H]2CCC[N@H+](Cc3cc(Br)cc4cccnc43)C2)o1 ZINC000670984511 566395747 /nfs/dbraw/zinc/39/57/47/566395747.db2.gz NJBPRSLXYCUDNN-LBPRGKRZSA-N 0 1 389.253 3.466 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(I)cc1 ZINC000557561717 566396088 /nfs/dbraw/zinc/39/60/88/566396088.db2.gz STUNZIJPCFGPEW-AWEZNQCLSA-N 0 1 387.265 3.095 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c(C)c1 ZINC000447261389 566397478 /nfs/dbraw/zinc/39/74/78/566397478.db2.gz WSTLCVGWMWZNHN-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Br ZINC000463287706 566397784 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O=C(c1cccc(Br)c1O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000557608369 566401198 /nfs/dbraw/zinc/40/11/98/566401198.db2.gz ULGHMOGBORSHKM-CYBMUJFWSA-N 0 1 382.176 3.074 20 0 GGADMN CC1(C)CCN(CC(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000557590099 566401444 /nfs/dbraw/zinc/40/14/44/566401444.db2.gz RPSZSGPJQUNTDP-UHFFFAOYSA-N 0 1 391.256 3.399 20 0 GGADMN CC(C)(C)CCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000536793903 566401979 /nfs/dbraw/zinc/40/19/79/566401979.db2.gz ZSPZUNUCWOUACB-UHFFFAOYSA-N 0 1 398.244 3.299 20 0 GGADMN COC[C@@H](C)OC[C@H](O)CN(Cc1ccccc1Br)C(C)(C)C ZINC000447299218 566402002 /nfs/dbraw/zinc/40/20/02/566402002.db2.gz OVELPJZJWAZKSN-GDBMZVCRSA-N 0 1 388.346 3.462 20 0 GGADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1OCCCO ZINC000463363151 566403431 /nfs/dbraw/zinc/40/34/31/566403431.db2.gz YNKPKNRREDZMOS-NSHDSACASA-N 0 1 395.301 3.057 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CCCSC2)CC1 ZINC000483818111 566403787 /nfs/dbraw/zinc/40/37/87/566403787.db2.gz HFEMXWOTRXGNMR-OAHLLOKOSA-N 0 1 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GGADMN Cc1ccc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000537028476 566418416 /nfs/dbraw/zinc/41/84/16/566418416.db2.gz AJJUOWQHMOKIHO-CYBMUJFWSA-N 0 1 380.897 3.341 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)Cc1ccccc1Br ZINC000557786554 566418628 /nfs/dbraw/zinc/41/86/28/566418628.db2.gz MOGXDNJNQMKFEC-UHFFFAOYSA-N 0 1 389.359 3.085 20 0 GGADMN CSC[C@@H](CCO)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484154570 566419274 /nfs/dbraw/zinc/41/92/74/566419274.db2.gz CDMPXUQNJQWMBG-SMDDNHRTSA-N 0 1 399.358 3.103 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(C)cc(Br)c2)CCN1CCOC ZINC000463577404 566419708 /nfs/dbraw/zinc/41/97/08/566419708.db2.gz LBHKMBYJCQUCEX-QGZVFWFLSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@H](NCC(=O)NC(=O)N[C@H](C)COC)c1ccc(Cl)c(Cl)c1 ZINC000537052475 566419829 /nfs/dbraw/zinc/41/98/29/566419829.db2.gz HAPYXKCFCUDKKC-ABAIWWIYSA-N 0 1 390.311 3.285 20 0 GGADMN C[C@@H](NCCC(=O)N1CCC[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000537075923 566420493 /nfs/dbraw/zinc/42/04/93/566420493.db2.gz KLOMPXNNHKTRAE-QWHCGFSZSA-N 0 1 397.313 3.272 20 0 GGADMN NC(=O)c1ccc(CN[C@@H]2CCSc3ccc(Br)cc32)cn1 ZINC000484296652 566423270 /nfs/dbraw/zinc/42/32/70/566423270.db2.gz YUPSXESSKUZKOO-CYBMUJFWSA-N 0 1 378.295 3.270 20 0 GGADMN CC(C)(NCCNS(=O)(=O)c1ccccc1)c1ccccc1Br ZINC000537122623 566424119 /nfs/dbraw/zinc/42/41/19/566424119.db2.gz GKMNZTGJLDSCGT-UHFFFAOYSA-N 0 1 397.338 3.252 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000671505444 566424942 /nfs/dbraw/zinc/42/49/42/566424942.db2.gz IGCTZCJNMONZMS-QWHCGFSZSA-N 0 1 386.323 3.148 20 0 GGADMN C[C@H](NCc1ccc(F)c(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000537167554 566427002 /nfs/dbraw/zinc/42/70/02/566427002.db2.gz RDWZXCWHXAXVQV-JTQLQIEISA-N 0 1 387.274 3.086 20 0 GGADMN Cc1nc([C@@H](C)NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n[nH]1 ZINC000510999360 566427083 /nfs/dbraw/zinc/42/70/83/566427083.db2.gz GRVSQQMDZPVBDV-SECBINFHSA-N 0 1 379.511 3.060 20 0 GGADMN Cc1ocnc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000577355103 566427407 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CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447774598 566428838 /nfs/dbraw/zinc/42/88/38/566428838.db2.gz CJXUBTWDMNTALS-UHFFFAOYSA-N 0 1 397.371 3.049 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)cc1OC ZINC000447775673 566429032 /nfs/dbraw/zinc/42/90/32/566429032.db2.gz FMFIPAKIBKLRJG-UHFFFAOYSA-N 0 1 393.795 3.445 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H](C)CN1C ZINC000650155460 566429125 /nfs/dbraw/zinc/42/91/25/566429125.db2.gz AMWDKXHSUMRVFQ-MJBXVCDLSA-N 0 1 391.313 3.188 20 0 GGADMN CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)[NH+](C)C)cc1 ZINC000557860971 566429840 /nfs/dbraw/zinc/42/98/40/566429840.db2.gz HMQIJVKIQSRQKL-CZUORRHYSA-N 0 1 380.476 3.358 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(Cl)cnc2N)ccc1C(F)(F)F ZINC000447783578 566429880 /nfs/dbraw/zinc/42/98/80/566429880.db2.gz SBLAMAWLFRBTIF-UHFFFAOYSA-N 0 1 381.763 3.145 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC)c2)cn1 ZINC000447784856 566429905 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ZINC000485115701 566476815 /nfs/dbraw/zinc/47/68/15/566476815.db2.gz XQDJBFFGQZCRPC-UHFFFAOYSA-N 0 1 378.332 3.427 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(CC(=O)Nc4ccc(Br)cc4C)[C@H]1[C@H]3C2 ZINC000511630046 566476927 /nfs/dbraw/zinc/47/69/27/566476927.db2.gz QQHHAPNPXVASFA-VCMWWZGJSA-N 0 1 379.298 3.051 20 0 GGADMN COc1ccc(OCCN(CCO)Cc2ccc(Br)s2)cc1 ZINC000485115652 566476939 /nfs/dbraw/zinc/47/69/39/566476939.db2.gz WUCNYNATBDNMMX-UHFFFAOYSA-N 0 1 386.311 3.393 20 0 GGADMN CC(C)(C)c1nc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000577941693 566477554 /nfs/dbraw/zinc/47/75/54/566477554.db2.gz WMZPWRBAUJQVSP-UHFFFAOYSA-N 0 1 377.297 3.029 20 0 GGADMN OCCN(Cc1ccc(Br)s1)C[C@H](O)CCc1ccccc1 ZINC000485131064 566477939 /nfs/dbraw/zinc/47/79/39/566477939.db2.gz MDZKRXNATIDCBD-OAHLLOKOSA-N 0 1 384.339 3.299 20 0 GGADMN CC(C)N(Cc1cccnc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000537901206 566478705 /nfs/dbraw/zinc/47/87/05/566478705.db2.gz YSOAKKHWOAUQEF-UHFFFAOYSA-N 0 1 387.281 3.263 20 0 GGADMN COc1ccccc1OCCNCc1cn2ccc(Br)cc2n1 ZINC000558492308 566479377 /nfs/dbraw/zinc/47/93/77/566479377.db2.gz WADKNUALCIEQBR-UHFFFAOYSA-N 0 1 376.254 3.274 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc5c(cc4Br)OCCCO5)[C@H]1[C@H]3C2 ZINC000511664884 566480183 /nfs/dbraw/zinc/48/01/83/566480183.db2.gz PTTWKVWRTQEGRG-BCGVMYJISA-N 0 1 394.309 3.466 20 0 GGADMN CC[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccccc1Br ZINC000537937557 566480925 /nfs/dbraw/zinc/48/09/25/566480925.db2.gz QIOAUWJXWVQLME-AWEZNQCLSA-N 0 1 377.348 3.208 20 0 GGADMN CCN(C(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CCC1 ZINC000537927494 566481066 /nfs/dbraw/zinc/48/10/66/566481066.db2.gz IWVXZESVKIASRN-UHFFFAOYSA-N 0 1 396.228 3.147 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1 ZINC000577978592 566481251 /nfs/dbraw/zinc/48/12/51/566481251.db2.gz CTLOHAXGRBTDDC-UHFFFAOYSA-N 0 1 379.459 3.417 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1nc(-c2cccc(Br)c2)no1 ZINC000511673655 566481861 /nfs/dbraw/zinc/48/18/61/566481861.db2.gz 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/nfs/dbraw/zinc/48/57/00/566485700.db2.gz LRGCXWYUQCDHOL-LLVKDONJSA-N 0 1 385.221 3.390 20 0 GGADMN Cc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)ccc1-n1cncn1 ZINC000464560648 566485716 /nfs/dbraw/zinc/48/57/16/566485716.db2.gz ZANBCCNFOFIUQY-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN C[C@H](Cc1ccc(F)cc1Br)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000578044851 566485663 /nfs/dbraw/zinc/48/56/63/566485663.db2.gz VTHLBRJBANIFGJ-QLJPJBMISA-N 0 1 383.236 3.475 20 0 GGADMN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)c12 ZINC000464557013 566486231 /nfs/dbraw/zinc/48/62/31/566486231.db2.gz UTPMSKXPMWUWIC-UHFFFAOYSA-N 0 1 399.252 3.476 20 0 GGADMN Cc1csc(Nc2cccc(NS(=O)(=O)c3cc(C)cnc3N)c2)n1 ZINC000538009762 566486321 /nfs/dbraw/zinc/48/63/21/566486321.db2.gz HWCQRZUBJUJCLD-UHFFFAOYSA-N 0 1 375.479 3.282 20 0 GGADMN Cc1sc(=O)n(CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)c1C ZINC000464560830 566486459 /nfs/dbraw/zinc/48/64/59/566486459.db2.gz ZRSGDWMKGXITHS-UHFFFAOYSA-N 0 1 395.282 3.194 20 0 GGADMN C[C@H](Cc1ccc(F)cc1Br)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000578044848 566486561 /nfs/dbraw/zinc/48/65/61/566486561.db2.gz VTHLBRJBANIFGJ-HWPZZCPQSA-N 0 1 383.236 3.475 20 0 GGADMN COCCN(Cc1cc(Br)cs1)Cc1c[nH]c2nccnc12 ZINC000558575125 566486927 /nfs/dbraw/zinc/48/69/27/566486927.db2.gz UQORBLGJMLGQDR-UHFFFAOYSA-N 0 1 381.299 3.382 20 0 GGADMN O=C(CN1CCCCCCC1=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464577118 566487453 /nfs/dbraw/zinc/48/74/53/566487453.db2.gz SJOWOJZFBQSIGY-UHFFFAOYSA-N 0 1 379.258 3.057 20 0 GGADMN O=S(=O)(N[C@@H]1COc2cc(F)cc(F)c21)c1c(Cl)ccc(F)c1F ZINC000672400780 566487414 /nfs/dbraw/zinc/48/74/14/566487414.db2.gz UNNJFELJFRBINL-SNVBAGLBSA-N 0 1 381.734 3.308 20 0 GGADMN CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000464579027 566487994 /nfs/dbraw/zinc/48/79/94/566487994.db2.gz XVRFBOCUROEROZ-LLVKDONJSA-N 0 1 393.285 3.303 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c(Cl)c1 ZINC000485268063 566488040 /nfs/dbraw/zinc/48/80/40/566488040.db2.gz 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ZINC000538128091 566493699 /nfs/dbraw/zinc/49/36/99/566493699.db2.gz FMMNESCDEDGPIG-KDOFPFPSSA-N 0 1 391.309 3.340 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](CCO)c2ccccc2)c(Br)c1 ZINC000538129054 566494017 /nfs/dbraw/zinc/49/40/17/566494017.db2.gz DAZONQAWXRNZBN-INIZCTEOSA-N 0 1 377.282 3.409 20 0 GGADMN Brc1ccc2onc(N3CCC[C@@H](CN4CCOCC4)C3)c2c1 ZINC000558607804 566494078 /nfs/dbraw/zinc/49/40/78/566494078.db2.gz AKIRPSHDUBTPRI-ZDUSSCGKSA-N 0 1 380.286 3.139 20 0 GGADMN CN1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2C1=O ZINC000485392417 566494315 /nfs/dbraw/zinc/49/43/15/566494315.db2.gz URNPNJIQTQWEQY-UHFFFAOYSA-N 0 1 385.272 3.422 20 0 GGADMN COc1cccc(CCCNCc2ncc(I)s2)c1 ZINC000512050000 566508769 /nfs/dbraw/zinc/50/87/69/566508769.db2.gz BELJZBLSYCAUCI-UHFFFAOYSA-N 0 1 388.274 3.479 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(COC)cc1 ZINC000538138406 566494969 /nfs/dbraw/zinc/49/49/69/566494969.db2.gz URFJBGLDWRNPBF-UHFFFAOYSA-N 0 1 385.869 3.312 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000485398800 566495413 /nfs/dbraw/zinc/49/54/13/566495413.db2.gz MYLVKESYNHWYSM-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN CN1C[C@H](CNCc2ncc(I)s2)Cc2ccccc21 ZINC000511908003 566495874 /nfs/dbraw/zinc/49/58/74/566495874.db2.gz NFVUUZAVEXJMJU-NSHDSACASA-N 0 1 399.301 3.146 20 0 GGADMN NC(=O)CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485404860 566496085 /nfs/dbraw/zinc/49/60/85/566496085.db2.gz LFTZNYBEQVPQAE-UHFFFAOYSA-N 0 1 389.260 3.048 20 0 GGADMN OCCCN(Cc1ccccn1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000672555953 566496302 /nfs/dbraw/zinc/49/63/02/566496302.db2.gz ODMLMTBUMDYUDP-HNNXBMFYSA-N 0 1 385.291 3.013 20 0 GGADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000672553733 566496517 /nfs/dbraw/zinc/49/65/17/566496517.db2.gz XWTAJZSMRKDIKO-GUYCJALGSA-N 0 1 399.292 3.435 20 0 GGADMN COCCOCc1ccc(CNC(=O)c2cccc(Br)c2O)cc1 ZINC000558648251 566496979 /nfs/dbraw/zinc/49/69/79/566496979.db2.gz LVRHGLVKFIZDNN-UHFFFAOYSA-N 0 1 394.265 3.248 20 0 GGADMN FC(F)(F)c1cc(Cl)c2nnc(SCCN3C[C@H]4CC[C@@H](C3)O4)n2c1 ZINC000538173664 566497373 /nfs/dbraw/zinc/49/73/73/566497373.db2.gz FBLFPUQQPQOAQW-PHIMTYICSA-N 0 1 392.834 3.357 20 0 GGADMN CCC1(O)CCN([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000464677244 566497522 /nfs/dbraw/zinc/49/75/22/566497522.db2.gz MVODDHFDWZGIRO-QGZVFWFLSA-N 0 1 395.341 3.490 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000485426097 566497640 /nfs/dbraw/zinc/49/76/40/566497640.db2.gz MRCLESNQXDOSTG-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN O=S1(=O)CC[C@@H](NC[C@@H](CO)c2ccc(Cl)cc2)c2cc(F)ccc21 ZINC000672619172 566499372 /nfs/dbraw/zinc/49/93/72/566499372.db2.gz JRWIDVPNRAAJNC-SUMWQHHRSA-N 0 1 383.872 3.063 20 0 GGADMN O=S1(=O)CC[C@@H](NC[C@H](CO)c2ccc(Cl)cc2)c2cc(F)ccc21 ZINC000672619169 566499923 /nfs/dbraw/zinc/49/99/23/566499923.db2.gz JRWIDVPNRAAJNC-CXAGYDPISA-N 0 1 383.872 3.063 20 0 GGADMN O=S1(=O)CC[C@H](NC[C@@H](CO)c2ccc(Cl)cc2)c2cc(F)ccc21 ZINC000672619171 566500023 /nfs/dbraw/zinc/50/00/23/566500023.db2.gz JRWIDVPNRAAJNC-GUYCJALGSA-N 0 1 383.872 3.063 20 0 GGADMN O=C(CCCC(=O)C1CC1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000448815752 566500539 /nfs/dbraw/zinc/50/05/39/566500539.db2.gz IEADWDSIBJPTAT-UHFFFAOYSA-N 0 1 377.242 3.322 20 0 GGADMN CCN(C(=O)c1cnc2c(cnn2C)c1O)c1cccc(Br)c1 ZINC000511968999 566500570 /nfs/dbraw/zinc/50/05/70/566500570.db2.gz BCNIXDQGZBKHLP-UHFFFAOYSA-N 0 1 375.226 3.103 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CSC2CC2)CC1 ZINC000448814172 566500589 /nfs/dbraw/zinc/50/05/89/566500589.db2.gz UGUPPACVUZIXJG-UHFFFAOYSA-N 0 1 384.343 3.035 20 0 GGADMN O=C([C@@H]1COc2ccc(Br)cc21)N1CCNC[C@@H]1c1ccccc1 ZINC000423990528 566500599 /nfs/dbraw/zinc/50/05/99/566500599.db2.gz CNEDVLNRKVSXMW-IAGOWNOFSA-N 0 1 387.277 3.098 20 0 GGADMN CCN(C(=O)c1cnc2n(C)[nH]cc-2c1=O)c1cccc(Br)c1 ZINC000511968999 566500581 /nfs/dbraw/zinc/50/05/81/566500581.db2.gz BCNIXDQGZBKHLP-UHFFFAOYSA-N 0 1 375.226 3.103 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423988918 566500927 /nfs/dbraw/zinc/50/09/27/566500927.db2.gz AYBPPKQNTIGTBQ-YOEHRIQHSA-N 0 1 389.293 3.390 20 0 GGADMN CN1CCN(C(C)(C)CNC(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000672708348 566500857 /nfs/dbraw/zinc/50/08/57/566500857.db2.gz VNXBCLPIAXOHQL-UHFFFAOYSA-N 0 1 386.993 3.049 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000672676325 566500907 /nfs/dbraw/zinc/50/09/07/566500907.db2.gz TVSLLQFCONQVKS-GDBMZVCRSA-N 0 1 381.929 3.080 20 0 GGADMN O=c1[nH]nc(SCc2cccc(OC(F)(F)F)c2)n1C[C@H]1CCCO1 ZINC000651182043 566500894 /nfs/dbraw/zinc/50/08/94/566500894.db2.gz JQMIMYZQMHUOSG-GFCCVEGCSA-N 0 1 375.372 3.354 20 0 GGADMN O=C(COc1ccc(Br)cc1F)N1CCNC[C@@H]1c1ccccc1 ZINC000423994083 566501019 /nfs/dbraw/zinc/50/10/19/566501019.db2.gz HYQPMDATUFQFTJ-MRXNPFEDSA-N 0 1 393.256 3.140 20 0 GGADMN COCCOC[C@@H]1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000464730813 566501028 /nfs/dbraw/zinc/50/10/28/566501028.db2.gz LXHOTJYONUWSNU-JCQPUDPBSA-N 0 1 380.337 3.086 20 0 GGADMN COCCOC[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000464732504 566501906 /nfs/dbraw/zinc/50/19/06/566501906.db2.gz HKGZOYIPXGICKK-CYBMUJFWSA-N 0 1 392.721 3.466 20 0 GGADMN COCCOC[C@@H]1CCN(CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000464730816 566501976 /nfs/dbraw/zinc/50/19/76/566501976.db2.gz LXHOTJYONUWSNU-ZLOXQWCVSA-N 0 1 380.337 3.086 20 0 GGADMN O=C(COc1ccccc1Br)N1CCNC[C@H]1c1ccccc1 ZINC000424004038 566502140 /nfs/dbraw/zinc/50/21/40/566502140.db2.gz RPDLSLPDHAQPAB-INIZCTEOSA-N 0 1 375.266 3.001 20 0 GGADMN O=C(Cc1ccc(Br)c(F)c1)N1CCNC[C@@H]1c1ccccc1 ZINC000423997063 566502400 /nfs/dbraw/zinc/50/24/00/566502400.db2.gz KWYCIQANMDAOKF-QGZVFWFLSA-N 0 1 377.257 3.304 20 0 GGADMN Cc1cc([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)sc1Br ZINC000511993041 566502464 /nfs/dbraw/zinc/50/24/64/566502464.db2.gz WQNDNVHVKMYMLO-NEPJUHHUSA-N 0 1 397.342 3.399 20 0 GGADMN CO[C@H](CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)C(F)(F)F ZINC000651199804 566502524 /nfs/dbraw/zinc/50/25/24/566502524.db2.gz YYMLRJRCNLYYAC-SECBINFHSA-N 0 1 393.163 3.140 20 0 GGADMN O=C(COc1ccc(Br)cc1)N1CCNC[C@@H]1c1ccccc1 ZINC000424006230 566502670 /nfs/dbraw/zinc/50/26/70/566502670.db2.gz UFZXGILLSRURRL-QGZVFWFLSA-N 0 1 375.266 3.001 20 0 GGADMN O=C(COc1ccc(F)cc1Br)N1CCNC[C@H]1c1ccccc1 ZINC000424001288 566502945 /nfs/dbraw/zinc/50/29/45/566502945.db2.gz PATNMPNFMCZHFH-INIZCTEOSA-N 0 1 393.256 3.140 20 0 GGADMN CCCCN(CCCO)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000538279665 566503071 /nfs/dbraw/zinc/50/30/71/566503071.db2.gz LKBCEZOZXIYHOC-UHFFFAOYSA-N 0 1 380.286 3.464 20 0 GGADMN Cc1cc([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)sc1Br ZINC000511993043 566503293 /nfs/dbraw/zinc/50/32/93/566503293.db2.gz WQNDNVHVKMYMLO-RYUDHWBXSA-N 0 1 397.342 3.399 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCOc2cccc(Br)c2)O1 ZINC000558740307 566503643 /nfs/dbraw/zinc/50/36/43/566503643.db2.gz YPNIHKPWDPGLKE-IEAZIUSSSA-N 0 1 398.297 3.011 20 0 GGADMN CN1CCN(C(=O)CN[C@@H](Cc2ccccc2Cl)c2ccsc2)CC1 ZINC000651208572 566504196 /nfs/dbraw/zinc/50/41/96/566504196.db2.gz BDMJRLYJWWIFQL-SFHVURJKSA-N 0 1 377.941 3.049 20 0 GGADMN C[C@H](CNCc1ncc(I)s1)Oc1cccc(F)c1 ZINC000512008113 566504278 /nfs/dbraw/zinc/50/42/78/566504278.db2.gz PNLDGRYOSFQDKN-SECBINFHSA-N 0 1 392.237 3.444 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000485501909 566504700 /nfs/dbraw/zinc/50/47/00/566504700.db2.gz GLXMIRLDHUSDTP-INIZCTEOSA-N 0 1 381.314 3.186 20 0 GGADMN O=C1C[C@]2(CN1)CCCN(Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000464793874 566504778 /nfs/dbraw/zinc/50/47/78/566504778.db2.gz LETYMDKFKSMIPU-SFHVURJKSA-N 0 1 390.281 3.206 20 0 GGADMN COC[C@H](Cc1ccccc1)NCc1ncc(I)s1 ZINC000512018331 566505315 /nfs/dbraw/zinc/50/53/15/566505315.db2.gz YGBSZJMNKSWZDQ-LBPRGKRZSA-N 0 1 388.274 3.095 20 0 GGADMN O=C1C[C@@]2(CN1)CCCN(Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000464793872 566505035 /nfs/dbraw/zinc/50/50/35/566505035.db2.gz LETYMDKFKSMIPU-GOSISDBHSA-N 0 1 390.281 3.206 20 0 GGADMN Cn1ccnc1[C@H](NC1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000651265055 566505595 /nfs/dbraw/zinc/50/55/95/566505595.db2.gz HRQGMDWPYJUNGL-OFLPRAFFSA-N 0 1 381.929 3.108 20 0 GGADMN O=C1C[C@]2(CN1)CCCN(Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000464794097 566505512 /nfs/dbraw/zinc/50/55/12/566505512.db2.gz LGDFUBBAVDYFJY-SFHVURJKSA-N 0 1 390.281 3.206 20 0 GGADMN OCC[C@H](NCc1ncc(I)s1)C1CCCCC1 ZINC000512016926 566505476 /nfs/dbraw/zinc/50/54/76/566505476.db2.gz TVWAJRUXRKPQRL-NSHDSACASA-N 0 1 380.295 3.169 20 0 GGADMN O=C1C[C@]2(CN1)CCCN(Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000464799681 566505592 /nfs/dbraw/zinc/50/55/92/566505592.db2.gz RFWZBDUBYDNZPO-SFHVURJKSA-N 0 1 390.281 3.206 20 0 GGADMN OCCC1(CNCc2ncc(I)s2)CCCCC1 ZINC000512021209 566505715 /nfs/dbraw/zinc/50/57/15/566505715.db2.gz CDTJSZPARVPEPJ-UHFFFAOYSA-N 0 1 380.295 3.170 20 0 GGADMN CCOc1cc(Br)ccc1NS(=O)(=O)CCOCC1CC1 ZINC000424057073 566506358 /nfs/dbraw/zinc/50/63/58/566506358.db2.gz AZPVSOJGVJSBSO-UHFFFAOYSA-N 0 1 378.288 3.016 20 0 GGADMN OC(=Cc1ccc(F)cc1Br)Nc1nc(-c2cccnc2)ns1 ZINC000485508805 566506607 /nfs/dbraw/zinc/50/66/07/566506607.db2.gz XDJSYTZFYFHWES-UHFFFAOYSA-N 0 1 393.241 3.105 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2nc3c(s2)CSCC3)cc1F ZINC000672796845 566506606 /nfs/dbraw/zinc/50/66/06/566506606.db2.gz WJMXCZUKDAVNBH-UHFFFAOYSA-N 0 1 380.514 3.455 20 0 GGADMN O[C@@H](CNCc1cscc1Br)COc1ccc(F)c(F)c1 ZINC000512028954 566506848 /nfs/dbraw/zinc/50/68/48/566506848.db2.gz ZDHZIJFKTRYHDJ-JTQLQIEISA-N 0 1 378.238 3.318 20 0 GGADMN CC(C)[C@@H](CNc1ncnc2cc(Br)sc21)N1CCN(C)CC1 ZINC000651296789 566507587 /nfs/dbraw/zinc/50/75/87/566507587.db2.gz JQKBSEBPZFKUOG-CYBMUJFWSA-N 0 1 398.374 3.138 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(CCO)C(C)(C)C1)c1c(Cl)cccc1Cl ZINC000672816545 566508240 /nfs/dbraw/zinc/50/82/40/566508240.db2.gz CGXCBOVGMKDZKI-ZDUSSCGKSA-N 0 1 388.339 3.195 20 0 GGADMN C[C@H](CNC(=O)N1CCN(CCO)C(C)(C)C1)c1c(Cl)cccc1Cl ZINC000672816534 566508611 /nfs/dbraw/zinc/50/86/11/566508611.db2.gz CGXCBOVGMKDZKI-CYBMUJFWSA-N 0 1 388.339 3.195 20 0 GGADMN COC(=O)CCSc1cc(Cl)ccc1NC(=O)NCc1cn[nH]c1C ZINC000603068058 566509280 /nfs/dbraw/zinc/50/92/80/566509280.db2.gz KBLAAYKITCBUMU-UHFFFAOYSA-N 0 1 382.873 3.348 20 0 GGADMN CCN1CCC(NS(=O)(=O)c2ccc3ccccc3c2Br)CC1 ZINC000424071284 566509708 /nfs/dbraw/zinc/50/97/08/566509708.db2.gz ZISVGGQPQVGWMO-UHFFFAOYSA-N 0 1 397.338 3.365 20 0 GGADMN COC(=O)c1occc1CN[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000538393246 566509849 /nfs/dbraw/zinc/50/98/49/566509849.db2.gz RCDUEJATXRZYMO-AWEZNQCLSA-N 0 1 379.254 3.197 20 0 GGADMN COc1c(Br)cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1Br ZINC000578303618 566509933 /nfs/dbraw/zinc/50/99/33/566509933.db2.gz YWKLCVAOWXLREI-QMMMGPOBSA-N 0 1 395.091 3.373 20 0 GGADMN COc1cc2nccc(N3CC[C@@H](C)S(=O)(=O)CC3)c2cc1Br ZINC000578317268 566510750 /nfs/dbraw/zinc/51/07/50/566510750.db2.gz OYOLUWVXKRBOGC-LLVKDONJSA-N 0 1 399.310 3.019 20 0 GGADMN C[C@@H](CNCc1ncc(I)s1)N1CCc2ccccc21 ZINC000512069058 566510913 /nfs/dbraw/zinc/51/09/13/566510913.db2.gz VHRCZBICCIEJGQ-NSHDSACASA-N 0 1 399.301 3.289 20 0 GGADMN OC[C@H](CNCc1nccn1CC(F)(F)F)Cc1c(F)cccc1Cl ZINC000538411094 566511290 /nfs/dbraw/zinc/51/12/90/566511290.db2.gz QTYZWMRSVRFSCM-NSHDSACASA-N 0 1 379.785 3.179 20 0 GGADMN C[C@H](NC(=O)c1cccc(Br)c1O)c1nc(C(F)(F)F)no1 ZINC000627818476 566511271 /nfs/dbraw/zinc/51/12/71/566511271.db2.gz JBIGDBLOHZCLRJ-YFKPBYRVSA-N 0 1 380.120 3.048 20 0 GGADMN COC(=O)c1cc(CNC[C@H](O)COc2cc(Cl)ccc2Cl)oc1C ZINC000578315734 566511339 /nfs/dbraw/zinc/51/13/39/566511339.db2.gz CAUYHYDZZAMICF-LBPRGKRZSA-N 0 1 388.247 3.211 20 0 GGADMN Cc1ccc(CNC[C@H](O)COc2cc(F)cc(Br)c2)nc1C ZINC000578316208 566511391 /nfs/dbraw/zinc/51/13/91/566511391.db2.gz RELQWODYKDRFPN-INIZCTEOSA-N 0 1 383.261 3.130 20 0 GGADMN CCc1sc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC000558873559 566511786 /nfs/dbraw/zinc/51/17/86/566511786.db2.gz NWXTZMJXHAWSDZ-GFCCVEGCSA-N 0 1 389.359 3.160 20 0 GGADMN Cc1nc([C@H]2CCCN(c3ncnc4cc(Br)sc43)C2)n[nH]1 ZINC000651331135 566512294 /nfs/dbraw/zinc/51/22/94/566512294.db2.gz 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0 1 393.408 3.425 20 0 GGADMN COCc1nc2n(n1)C[C@H](NCc1cc(Cl)c(C)cc1Br)CC2 ZINC000449192391 566535065 /nfs/dbraw/zinc/53/50/65/566535065.db2.gz LTNYPBYCQRTNIS-GFCCVEGCSA-N 0 1 399.720 3.253 20 0 GGADMN O=C(NCCCc1cccc(Br)c1)N1CCN(C2CCC2)CC1 ZINC000603602120 566535952 /nfs/dbraw/zinc/53/59/52/566535952.db2.gz SNVNEGKWMJUEAJ-UHFFFAOYSA-N 0 1 380.330 3.261 20 0 GGADMN CCCN(CC(=O)N(C)C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628152592 566535844 /nfs/dbraw/zinc/53/58/44/566535844.db2.gz HMAPQRRAPZSVAQ-UHFFFAOYSA-N 0 1 385.331 3.201 20 0 GGADMN Cc1cccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1Br ZINC000673442443 566536219 /nfs/dbraw/zinc/53/62/19/566536219.db2.gz FRNPCZHHDLNZKV-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN O=C(NCCSCC(F)(F)F)c1ccc(CN2CCSCC2)cc1 ZINC000538804109 566536392 /nfs/dbraw/zinc/53/63/92/566536392.db2.gz RFNKFLNADQVYPC-UHFFFAOYSA-N 0 1 378.485 3.261 20 0 GGADMN Cc1[nH]c(=O)c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cc1Br ZINC000673431617 566536328 /nfs/dbraw/zinc/53/63/28/566536328.db2.gz PQKJGFOIUBWOII-UHFFFAOYSA-N 0 1 392.188 3.035 20 0 GGADMN Cc1cc(CN(C)C[C@@H](O)COCc2ccccc2)ncc1Br ZINC000628154048 566536363 /nfs/dbraw/zinc/53/63/63/566536363.db2.gz LIMOKDORCIETIK-QGZVFWFLSA-N 0 1 379.298 3.162 20 0 GGADMN Cc1cc(Br)c(CNC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1Cl ZINC000449198937 566536977 /nfs/dbraw/zinc/53/69/77/566536977.db2.gz AOSUXRJTMQAAFA-SWLSCSKDSA-N 0 1 389.721 3.136 20 0 GGADMN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Br)cc2cccnc21 ZINC000512456290 566537170 /nfs/dbraw/zinc/53/71/70/566537170.db2.gz LTHKRHDBGFVMKI-RDTXWAMCSA-N 0 1 390.325 3.292 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c(Cl)c1 ZINC000673461926 566537913 /nfs/dbraw/zinc/53/79/13/566537913.db2.gz KEECDTRYCVOATD-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(Cl)c1 ZINC000673463880 566537979 /nfs/dbraw/zinc/53/79/79/566537979.db2.gz LHWRWRQHUADLIQ-UHFFFAOYSA-N 0 1 382.869 3.288 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H](C)C[C@@H](C)O ZINC000449230709 566538887 /nfs/dbraw/zinc/53/88/87/566538887.db2.gz BEGWELVHXBMOAL-GHMZBOCLSA-N 0 1 386.279 3.215 20 0 GGADMN OCC[C@H]1CSCCN1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628190055 566539681 /nfs/dbraw/zinc/53/96/81/566539681.db2.gz UXTBOFLHSDDOOS-NSHDSACASA-N 0 1 388.356 3.201 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000673560051 566542469 /nfs/dbraw/zinc/54/24/69/566542469.db2.gz FGLOAILMJQSVDF-LJQANCHMSA-N 0 1 378.925 3.424 20 0 GGADMN COCCO[C@H]1COCC[C@H]1NCc1cc(Cl)c(C)cc1Br ZINC000449255312 566542850 /nfs/dbraw/zinc/54/28/50/566542850.db2.gz CIZZXNKNGZVZHT-CVEARBPZSA-N 0 1 392.721 3.321 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000673577257 566543463 /nfs/dbraw/zinc/54/34/63/566543463.db2.gz GZHHRHYBSVZULA-HNAYVOBHSA-N 0 1 376.547 3.350 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1CCCC12CCN(C)CC2 ZINC000651625115 566543596 /nfs/dbraw/zinc/54/35/96/566543596.db2.gz UXICXEVSNVTKRM-UHFFFAOYSA-N 0 1 393.372 3.068 20 0 GGADMN Cc1sc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1Br ZINC000424586290 566544160 /nfs/dbraw/zinc/54/41/60/566544160.db2.gz FBASDWWBBABOOB-UHFFFAOYSA-N 0 1 387.343 3.003 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000673582912 566545662 /nfs/dbraw/zinc/54/56/62/566545662.db2.gz RFBXSHATPUFJFH-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1cc(Cl)sc1Cl ZINC000538904972 566546479 /nfs/dbraw/zinc/54/64/79/566546479.db2.gz CPDBTCOLSDAPNM-UHFFFAOYSA-N 0 1 385.276 3.279 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2scnc2C2CC2)C1 ZINC000673614023 566546591 /nfs/dbraw/zinc/54/65/91/566546591.db2.gz ODPWPOIOTDKLKW-CYBMUJFWSA-N 0 1 383.564 3.025 20 0 GGADMN Cc1ccc(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)cc1Cl ZINC000512652904 566546822 /nfs/dbraw/zinc/54/68/22/566546822.db2.gz SNJVNPPYXAQYIP-UHFFFAOYSA-N 0 1 381.929 3.100 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CCN1C ZINC000486004812 566547161 /nfs/dbraw/zinc/54/71/61/566547161.db2.gz UHUUJWGAGGMWRJ-MFKMUULPSA-N 0 1 395.750 3.005 20 0 GGADMN Cc1csc2nc(CN3CC[C@H](Oc4ccc(Cl)cc4)C3)cc(=O)n12 ZINC000559400589 566547141 /nfs/dbraw/zinc/54/71/41/566547141.db2.gz NDJHUEYOJVHAQU-INIZCTEOSA-N 0 1 375.881 3.371 20 0 GGADMN Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)c1F ZINC000485991844 566547480 /nfs/dbraw/zinc/54/74/80/566547480.db2.gz RQJSGIIRJULWTI-UHFFFAOYSA-N 0 1 387.845 3.378 20 0 GGADMN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccnc2c(Br)cccc12 ZINC000449317725 566547948 /nfs/dbraw/zinc/54/79/48/566547948.db2.gz BMXLEBKDFUHHGS-ZBFHGGJFSA-N 0 1 390.325 3.292 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000538922920 566548135 /nfs/dbraw/zinc/54/81/35/566548135.db2.gz MDCQCVRJIRLHJT-CHWSQXEVSA-N 0 1 378.314 3.332 20 0 GGADMN CC[C@@H](NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)c1ccc(Cl)s1 ZINC000512664564 566548236 /nfs/dbraw/zinc/54/82/36/566548236.db2.gz AEQCSBIXDZOVRS-HUUCEWRRSA-N 0 1 386.993 3.424 20 0 GGADMN CCC[C@H](C)S(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000651646980 566548930 /nfs/dbraw/zinc/54/89/30/566548930.db2.gz YTUMPIYHPLZISH-GWCFXTLKSA-N 0 1 376.404 3.021 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000673627596 566549122 /nfs/dbraw/zinc/54/91/22/566549122.db2.gz PKVSLXJVTXDBOE-MKBNYLNASA-N 0 1 377.286 3.027 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@@H]2CCc3ccccc32)sc1Br ZINC000538940937 566549632 /nfs/dbraw/zinc/54/96/32/566549632.db2.gz PGQZZVWFEUJDBX-NSHDSACASA-N 0 1 387.324 3.222 20 0 GGADMN O=C(Nc1ccc2nncn2c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000538936640 566550113 /nfs/dbraw/zinc/55/01/13/566550113.db2.gz RJULCTLKMSKQFV-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H]2CCc3ccccc32)sc1Br ZINC000538940933 566550206 /nfs/dbraw/zinc/55/02/06/566550206.db2.gz PGQZZVWFEUJDBX-LLVKDONJSA-N 0 1 387.324 3.222 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)c(=O)[nH]c3C)n2)cc1 ZINC000512683884 566550270 /nfs/dbraw/zinc/55/02/70/566550270.db2.gz YXCFZXBVVSJFHH-UHFFFAOYSA-N 0 1 388.225 3.204 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CCC[C@@H](F)C1 ZINC000424643719 566551440 /nfs/dbraw/zinc/55/14/40/566551440.db2.gz MLLKDDZOTDVRLN-DGCLKSJQSA-N 0 1 381.249 3.379 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCC[C@@H](F)C1 ZINC000424643719 566551445 /nfs/dbraw/zinc/55/14/45/566551445.db2.gz MLLKDDZOTDVRLN-DGCLKSJQSA-N 0 1 381.249 3.379 20 0 GGADMN CSc1ccc(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000604058723 566551700 /nfs/dbraw/zinc/55/17/00/566551700.db2.gz NEBBUHMLUIZYQL-KRWDZBQOSA-N 0 1 376.547 3.351 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000604058805 566552570 /nfs/dbraw/zinc/55/25/70/566552570.db2.gz RYAZQHMCQUIGGA-HNNXBMFYSA-N 0 1 382.888 3.422 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(F)cc1Cl ZINC000604058730 566552681 /nfs/dbraw/zinc/55/26/81/566552681.db2.gz OBBILJOZNMFEGM-INIZCTEOSA-N 0 1 382.888 3.422 20 0 GGADMN Brc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc[nH]3)C1)OCCO2 ZINC000673712070 566552704 /nfs/dbraw/zinc/55/27/04/566552704.db2.gz NLVQIXUCWDSHPH-LBPRGKRZSA-N 0 1 378.270 3.323 20 0 GGADMN CCc1nc(CNCc2cc(Br)cc(C)c2OC(F)F)n[nH]1 ZINC000449348315 566552778 /nfs/dbraw/zinc/55/27/78/566552778.db2.gz SXVUQWDCJFVBCV-UHFFFAOYSA-N 0 1 375.217 3.329 20 0 GGADMN CCc1nc(CNCc2cc(Br)c(C)c(Br)c2)n[nH]1 ZINC000449350369 566552794 /nfs/dbraw/zinc/55/27/94/566552794.db2.gz VJQCTJLCJGOZME-UHFFFAOYSA-N 0 1 388.107 3.490 20 0 GGADMN O=C(c1ccc2cncn2c1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000559492786 566552779 /nfs/dbraw/zinc/55/27/79/566552779.db2.gz JCDMGNRRBQCJGX-KRWDZBQOSA-N 0 1 386.249 3.311 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000651705594 566553521 /nfs/dbraw/zinc/55/35/21/566553521.db2.gz YFECEEBWFBLQAW-RYUDHWBXSA-N 0 1 393.372 3.066 20 0 GGADMN CCOc1c(Cl)cccc1CNCCn1cc(Br)ccc1=O ZINC000449379562 566553897 /nfs/dbraw/zinc/55/38/97/566553897.db2.gz TWRWDFPWGFFSKK-UHFFFAOYSA-N 0 1 385.689 3.453 20 0 GGADMN CCS(=O)(=O)NCCCSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000512728096 566554254 /nfs/dbraw/zinc/55/42/54/566554254.db2.gz CMYAOBNAWJFALW-UHFFFAOYSA-N 0 1 395.337 3.200 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000539027087 566554597 /nfs/dbraw/zinc/55/45/97/566554597.db2.gz SIUUSKIOQRXWOX-VIFPVBQESA-N 0 1 379.251 3.351 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@@H]1C ZINC000512763308 566555305 /nfs/dbraw/zinc/55/53/05/566555305.db2.gz KJOHPGDBZINZOO-NWDGAFQWSA-N 0 1 382.423 3.386 20 0 GGADMN COc1ccc([C@H](NCC2(S(C)(=O)=O)CC2)C(C)C)c(Br)c1 ZINC000578806218 566555438 /nfs/dbraw/zinc/55/54/38/566555438.db2.gz VPJBTCOSYRTAQN-OAHLLOKOSA-N 0 1 390.343 3.322 20 0 GGADMN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(Br)cc2Br)C1 ZINC000539061639 566555813 /nfs/dbraw/zinc/55/58/13/566555813.db2.gz NBYRDVCDQOACFP-SKDRFNHKSA-N 0 1 390.119 3.483 20 0 GGADMN Brc1ccc(-c2noc(CN3CCN(C4CCC4)CC3)n2)s1 ZINC000512773918 566555987 /nfs/dbraw/zinc/55/59/87/566555987.db2.gz TWQZIKDWGRKROO-UHFFFAOYSA-N 0 1 383.315 3.231 20 0 GGADMN CSCC[C@H](CO)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539059678 566556606 /nfs/dbraw/zinc/55/66/06/566556606.db2.gz DFHWVMPQUWEFNC-SMDDNHRTSA-N 0 1 399.358 3.103 20 0 GGADMN COc1ccc(Cl)cc1[C@H](C)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000539054837 566556624 /nfs/dbraw/zinc/55/66/24/566556624.db2.gz SEXNNACGWYUGTB-LBPRGKRZSA-N 0 1 388.942 3.348 20 0 GGADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000539054501 566556696 /nfs/dbraw/zinc/55/66/96/566556696.db2.gz WMBPAAGBHUHYGD-MLGOLLRUSA-N 0 1 379.444 3.367 20 0 GGADMN CC(C)(C[C@H]1CCCN(Cc2cc(Br)cc3c2OCC3)C1)C(N)=O ZINC000449410860 566558157 /nfs/dbraw/zinc/55/81/57/566558157.db2.gz BJOSHXUIVGIAJZ-CYBMUJFWSA-N 0 1 395.341 3.498 20 0 GGADMN CC(C)(C[C@@H]1CCCN(Cc2cc(Br)cc3c2OCC3)C1)C(N)=O ZINC000449410861 566558238 /nfs/dbraw/zinc/55/82/38/566558238.db2.gz BJOSHXUIVGIAJZ-ZDUSSCGKSA-N 0 1 395.341 3.498 20 0 GGADMN COC(=O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000604304730 566558869 /nfs/dbraw/zinc/55/88/69/566558869.db2.gz DIPJUTPZXTVKNH-INIZCTEOSA-N 0 1 387.307 3.369 20 0 GGADMN CC(C)c1nc(CNCc2cnn(-c3ccc(Br)cc3)c2)n[nH]1 ZINC000449404479 566559299 /nfs/dbraw/zinc/55/92/99/566559299.db2.gz CDDLIJAVGGORPL-UHFFFAOYSA-N 0 1 375.274 3.166 20 0 GGADMN C[C@@H](COc1ccc(F)cc1F)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000512807428 566559333 /nfs/dbraw/zinc/55/93/33/566559333.db2.gz HAOVKSKATHXWJP-QMMMGPOBSA-N 0 1 381.322 3.128 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000578871495 566560612 /nfs/dbraw/zinc/56/06/12/566560612.db2.gz LCHBLMBZZNPWRI-UHFFFAOYSA-N 0 1 388.212 3.445 20 0 GGADMN CC1(C)CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CCN1 ZINC000578865868 566561215 /nfs/dbraw/zinc/56/12/15/566561215.db2.gz DBHOOJXPWAAJGQ-UHFFFAOYSA-N 0 1 390.281 3.460 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000559628935 566562094 /nfs/dbraw/zinc/56/20/94/566562094.db2.gz KYOLIUAQQZUQAU-UHFFFAOYSA-N 0 1 377.495 3.391 20 0 GGADMN CC(C)(C(=O)Nc1ccc2nc[nH]c2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000486142252 566562199 /nfs/dbraw/zinc/56/21/99/566562199.db2.gz HHCNKVJWVFMQPX-UHFFFAOYSA-N 0 1 377.853 3.407 20 0 GGADMN Cc1ccc(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)c(Cl)c1 ZINC000578875683 566562728 /nfs/dbraw/zinc/56/27/28/566562728.db2.gz WEUVDQOCYUGMKQ-UHFFFAOYSA-N 0 1 381.929 3.100 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000539140190 566563133 /nfs/dbraw/zinc/56/31/33/566563133.db2.gz JVWVXXJRSHVQSX-QLJPJBMISA-N 0 1 378.270 3.167 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000539140184 566563439 /nfs/dbraw/zinc/56/34/39/566563439.db2.gz JVWVXXJRSHVQSX-HWPZZCPQSA-N 0 1 378.270 3.167 20 0 GGADMN Cn1cc(I)c(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000449606052 566585107 /nfs/dbraw/zinc/58/51/07/566585107.db2.gz PEMZFCYHGUNGKL-RKDXNWHRSA-N 0 1 387.187 3.235 20 0 GGADMN COc1ccccc1CNCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512862332 566564848 /nfs/dbraw/zinc/56/48/48/566564848.db2.gz ULPHRHXGEAEITP-UHFFFAOYSA-N 0 1 389.304 3.070 20 0 GGADMN CC(C)(CO)N1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000673895616 566565273 /nfs/dbraw/zinc/56/52/73/566565273.db2.gz JWRZNTNLPOKMMZ-UHFFFAOYSA-N 0 1 379.957 3.276 20 0 GGADMN CCOc1cccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000673897590 566565320 /nfs/dbraw/zinc/56/53/20/566565320.db2.gz IMPTVSKYZQMBCB-UHFFFAOYSA-N 0 1 376.356 3.222 20 0 GGADMN C[C@@H](NCc1cc(F)cc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000539160946 566566141 /nfs/dbraw/zinc/56/61/41/566566141.db2.gz JYTTZVDLILYMDR-SNVBAGLBSA-N 0 1 387.274 3.086 20 0 GGADMN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000512880817 566566290 /nfs/dbraw/zinc/56/62/90/566566290.db2.gz XMXNSZOJANMAHW-HNNXBMFYSA-N 0 1 384.293 3.358 20 0 GGADMN O=C(N[C@@H]1COc2ccc(F)cc21)c1n[nH]c2ccc(Br)cc21 ZINC000466310151 566566495 /nfs/dbraw/zinc/56/64/95/566566495.db2.gz YXNDHUJXAZSAIA-CYBMUJFWSA-N 0 1 376.185 3.328 20 0 GGADMN Cc1oc(Br)cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000424751411 566566647 /nfs/dbraw/zinc/56/66/47/566566647.db2.gz UNJNZBWCPODXEY-LLVKDONJSA-N 0 1 379.258 3.366 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1cc(F)c(Br)cc1F ZINC000628573201 566567014 /nfs/dbraw/zinc/56/70/14/566567014.db2.gz LZDAYWGUHFDPFK-VHSXEESVSA-N 0 1 393.297 3.342 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)OC)cc1Cl ZINC000466343349 566567326 /nfs/dbraw/zinc/56/73/26/566567326.db2.gz JWEIKRNWJLKXRN-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN O=S(=O)(NCCNCc1ccc(F)c(F)c1)c1cccc(Cl)c1Cl ZINC000512900551 566568063 /nfs/dbraw/zinc/56/80/63/566568063.db2.gz ZBXQDQJVKPODQM-UHFFFAOYSA-N 0 1 395.258 3.340 20 0 GGADMN CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000486211599 566568910 /nfs/dbraw/zinc/56/89/10/566568910.db2.gz GBVZWVRKUOZICP-VIFPVBQESA-N 0 1 398.280 3.479 20 0 GGADMN CN(Cc1cccc(O)c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000578956807 566568909 /nfs/dbraw/zinc/56/89/09/566568909.db2.gz VPEQWCJPUCPIGF-MRXNPFEDSA-N 0 1 384.245 3.166 20 0 GGADMN CO[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000449492730 566569080 /nfs/dbraw/zinc/56/90/80/566569080.db2.gz CNZXKUPGNKYPGC-KBXCAEBGSA-N 0 1 383.330 3.143 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2NCc1ccccc1Br ZINC000559752980 566569178 /nfs/dbraw/zinc/56/91/78/566569178.db2.gz IVFCKZCWKKZGQZ-KRWDZBQOSA-N 0 1 395.322 3.264 20 0 GGADMN CCOC(=O)CCN(Cc1cc2c(cc1Br)OCCO2)CC1CC1 ZINC000604510339 566569332 /nfs/dbraw/zinc/56/93/32/566569332.db2.gz XLWYUXDGYAARNV-UHFFFAOYSA-N 0 1 398.297 3.386 20 0 GGADMN CO[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C ZINC000449492732 566569431 /nfs/dbraw/zinc/56/94/31/566569431.db2.gz CNZXKUPGNKYPGC-KSSFIOAISA-N 0 1 383.330 3.143 20 0 GGADMN Cc1cc(CNCc2cc(C(N)=O)cs2)ccc1I ZINC000466363970 566569445 /nfs/dbraw/zinc/56/94/45/566569445.db2.gz IBIJWPBMBKFINV-UHFFFAOYSA-N 0 1 386.258 3.050 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(F)c(Br)c(Cl)c1 ZINC000512929535 566569578 /nfs/dbraw/zinc/56/95/78/566569578.db2.gz CKOYHWMFSHVIOX-UHFFFAOYSA-N 0 1 395.619 3.497 20 0 GGADMN COC(=O)c1ccc([C@@H](C)N2CCC(n3cc(Br)cn3)CC2)o1 ZINC000539250202 566570311 /nfs/dbraw/zinc/57/03/11/566570311.db2.gz HCEUZJUFHSGTOB-LLVKDONJSA-N 0 1 382.258 3.423 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000466375493 566570359 /nfs/dbraw/zinc/57/03/59/566570359.db2.gz UHGOBPYIOWHRKZ-RHSMWYFYSA-N 0 1 398.345 3.198 20 0 GGADMN Fc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c(Cl)c1Cl ZINC000512972146 566570598 /nfs/dbraw/zinc/57/05/98/566570598.db2.gz QEYAIKGORRIPJD-NSHDSACASA-N 0 1 375.193 3.485 20 0 GGADMN C[C@@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(Br)cc1 ZINC000539243308 566570671 /nfs/dbraw/zinc/57/06/71/566570671.db2.gz HMPGRGKWRMDLLQ-DYVFJYSZSA-N 0 1 389.293 3.220 20 0 GGADMN COc1cc(Cl)c(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512971229 566571145 /nfs/dbraw/zinc/57/11/45/566571145.db2.gz BJOAZMLNNWCGKX-CQSZACIVSA-N 0 1 387.229 3.355 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2N[C@@H]1COc2ccc(Cl)cc21 ZINC000559789724 566571241 /nfs/dbraw/zinc/57/12/41/566571241.db2.gz RVQZXBQDDYUNAA-DLBZAZTESA-N 0 1 378.881 3.088 20 0 GGADMN COc1c(Cl)cc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000604620487 566572015 /nfs/dbraw/zinc/57/20/15/566572015.db2.gz BEACHGVKHXCZAZ-GJZGRUSLSA-N 0 1 388.295 3.065 20 0 GGADMN Cc1oc(Br)cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000424799356 566572460 /nfs/dbraw/zinc/57/24/60/566572460.db2.gz YONFJCNDULJCAM-UHFFFAOYSA-N 0 1 399.329 3.315 20 0 GGADMN COc1c(Cl)cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000604620489 566572944 /nfs/dbraw/zinc/57/29/44/566572944.db2.gz BEACHGVKHXCZAZ-LSDHHAIUSA-N 0 1 388.295 3.065 20 0 GGADMN C[C@]1(c2ccc(CNCc3cc(Cl)ccc3Cl)cc2)NC(=O)NC1=O ZINC000513033311 566573980 /nfs/dbraw/zinc/57/39/80/566573980.db2.gz YFTHHTVWXOAYLH-GOSISDBHSA-N 0 1 378.259 3.338 20 0 GGADMN Fc1cccc(OC(F)(F)F)c1CNCCn1cc(Br)cn1 ZINC000513021828 566574133 /nfs/dbraw/zinc/57/41/33/566574133.db2.gz KIYZFEJYOWJVOI-UHFFFAOYSA-N 0 1 382.155 3.473 20 0 GGADMN FC(F)(F)[C@@H](CNCc1cnc(-c2ccsc2)s1)N1CCOCC1 ZINC000513017467 566574781 /nfs/dbraw/zinc/57/47/81/566574781.db2.gz QEWKINBAOJMNLD-CYBMUJFWSA-N 0 1 377.457 3.224 20 0 GGADMN Cc1cc(Br)cn2c(CN3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)cnc12 ZINC000449553660 566574919 /nfs/dbraw/zinc/57/49/19/566574919.db2.gz MKZJJCZWTBXMHA-CPUCHLNUSA-N 0 1 378.314 3.388 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1F)NCc1ncc2c(n1)CCOC2 ZINC000651905491 566574939 /nfs/dbraw/zinc/57/49/39/566574939.db2.gz LULOARVSIYOYNS-NSHDSACASA-N 0 1 380.261 3.172 20 0 GGADMN CCS(=O)(=O)c1cccc(CNCc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000466405824 566574911 /nfs/dbraw/zinc/57/49/11/566574911.db2.gz SZRRMEKQEFQGBV-UHFFFAOYSA-N 0 1 383.897 3.441 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]2C1 ZINC000449559484 566575049 /nfs/dbraw/zinc/57/50/49/566575049.db2.gz YKVYLGNLRNDMOT-SOUVJXGZSA-N 0 1 382.298 3.203 20 0 GGADMN Cc1cc(Br)cn2c(CN3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)cnc12 ZINC000449553662 566575321 /nfs/dbraw/zinc/57/53/21/566575321.db2.gz MKZJJCZWTBXMHA-KEYYUXOJSA-N 0 1 378.314 3.388 20 0 GGADMN Cc1cc(Br)cn2c(CN3CC[C@@H]4C[C@H](O)CC[C@H]4C3)cnc12 ZINC000449553661 566575709 /nfs/dbraw/zinc/57/57/09/566575709.db2.gz MKZJJCZWTBXMHA-JKIFEVAISA-N 0 1 378.314 3.388 20 0 GGADMN O[C@H]([C@H](Cc1ccccc1)NCc1ccc(Br)cn1)C(F)(F)F ZINC000604766707 566576534 /nfs/dbraw/zinc/57/65/34/566576534.db2.gz ZUUDKWKAIWVBSH-LSDHHAIUSA-N 0 1 389.215 3.468 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000674086201 566576638 /nfs/dbraw/zinc/57/66/38/566576638.db2.gz BBQDGELWWSSJIF-ZDUSSCGKSA-N 0 1 387.307 3.329 20 0 GGADMN COc1sc(CN[C@@H](C)C(=O)NCCc2ccccc2)cc1Br ZINC000449578962 566576848 /nfs/dbraw/zinc/57/68/48/566576848.db2.gz UWCXKXINTIRRDG-LBPRGKRZSA-N 0 1 397.338 3.356 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000674086199 566576947 /nfs/dbraw/zinc/57/69/47/566576947.db2.gz BBQDGELWWSSJIF-CYBMUJFWSA-N 0 1 387.307 3.329 20 0 GGADMN CN(Cc1cc(Cl)cn1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000466472592 566577803 /nfs/dbraw/zinc/57/78/03/566577803.db2.gz GJYKBDNVMFREDA-HNNXBMFYSA-N 0 1 387.705 3.313 20 0 GGADMN CNC(=O)COc1cccc(CNCc2ccc(C)cc2Br)c1 ZINC000513106640 566579241 /nfs/dbraw/zinc/57/92/41/566579241.db2.gz PADHUQQGBQAANY-UHFFFAOYSA-N 0 1 377.282 3.172 20 0 GGADMN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H](C)C1 ZINC000579102285 566579621 /nfs/dbraw/zinc/57/96/21/566579621.db2.gz YZKSJUZBVPYFGK-AVGNSLFASA-N 0 1 378.567 3.226 20 0 GGADMN O=C(NCCCc1ccc(Br)cc1F)N1CCN(C2CCC2)CC1 ZINC000604824078 566579628 /nfs/dbraw/zinc/57/96/28/566579628.db2.gz NRDQZXPACJAXNL-UHFFFAOYSA-N 0 1 398.320 3.401 20 0 GGADMN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H](C)C1 ZINC000579102288 566580254 /nfs/dbraw/zinc/58/02/54/566580254.db2.gz YZKSJUZBVPYFGK-YNEHKIRRSA-N 0 1 378.567 3.226 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000486342093 566580641 /nfs/dbraw/zinc/58/06/41/566580641.db2.gz PCJDHRFFEBTVAX-INIZCTEOSA-N 0 1 384.318 3.236 20 0 GGADMN Cc1ccc([C@@H](NC[C@@H](O)CS(=O)(=O)c2cccs2)C2CCCC2)o1 ZINC000539409528 566580707 /nfs/dbraw/zinc/58/07/07/566580707.db2.gz HVWHTUNPKOQHGC-QAPCUYQASA-N 0 1 383.535 3.305 20 0 GGADMN Cc1cccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1Cl ZINC000539420761 566580801 /nfs/dbraw/zinc/58/08/01/566580801.db2.gz SEPHIBGQJCHYTG-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Cc1cccc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1Cl ZINC000539420761 566580802 /nfs/dbraw/zinc/58/08/02/566580802.db2.gz SEPHIBGQJCHYTG-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Fc1cc2nc(N3CCN(C[C@H]4CCCO4)CC3)ccc2cc1Br ZINC000674243954 566581112 /nfs/dbraw/zinc/58/11/12/566581112.db2.gz PIOISEFMJVXBPT-CQSZACIVSA-N 0 1 394.288 3.437 20 0 GGADMN O=C(CCN1CCOc2cc(O)ccc2C1)Nc1ccc(Br)cc1 ZINC000513129321 566581080 /nfs/dbraw/zinc/58/10/80/566581080.db2.gz XLIOZGHBJWPCHE-UHFFFAOYSA-N 0 1 391.265 3.378 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)c(C)c1 ZINC000466521867 566581457 /nfs/dbraw/zinc/58/14/57/566581457.db2.gz YXRZGSMHJFDXTM-OAHLLOKOSA-N 0 1 389.807 3.119 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)c(C)c1 ZINC000466524925 566581727 /nfs/dbraw/zinc/58/17/27/566581727.db2.gz FBJBVSRAXDDKFY-HNNXBMFYSA-N 0 1 389.807 3.119 20 0 GGADMN C[C@H](c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1)n1cccn1 ZINC000559987388 566582411 /nfs/dbraw/zinc/58/24/11/566582411.db2.gz NCYKLXRYXMHTJJ-SECBINFHSA-N 0 1 386.213 3.090 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000513149432 566582530 /nfs/dbraw/zinc/58/25/30/566582530.db2.gz NPAUDPACSJIJHB-HLLBOEOZSA-N 0 1 397.357 3.195 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)c1nnc2ccccn21 ZINC000674275203 566582844 /nfs/dbraw/zinc/58/28/44/566582844.db2.gz DZYRUDAWBAYXOY-RYUDHWBXSA-N 0 1 381.263 3.127 20 0 GGADMN CCN1C[C@@H](CNCc2csc(COc3ccc(Cl)cc3)n2)CC1=O ZINC000652001132 566582897 /nfs/dbraw/zinc/58/28/97/566582897.db2.gz NFQAQYZJPINRDR-CYBMUJFWSA-N 0 1 379.913 3.334 20 0 GGADMN Cn1cc(I)c(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000449606049 566582829 /nfs/dbraw/zinc/58/28/29/566582829.db2.gz PEMZFCYHGUNGKL-BDAKNGLRSA-N 0 1 387.187 3.235 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c(F)cc1F ZINC000560006353 566583230 /nfs/dbraw/zinc/58/32/30/566583230.db2.gz NZEPBVRKBZJVQD-UHFFFAOYSA-N 0 1 397.733 3.484 20 0 GGADMN C[C@@H](C(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F)N(C)C ZINC000674288372 566583823 /nfs/dbraw/zinc/58/38/23/566583823.db2.gz XYVBIPDDLOYGQG-ZDUSSCGKSA-N 0 1 394.288 3.462 20 0 GGADMN O=C(CCN1CCOc2cc(O)ccc2C1)Nc1cccc(Br)c1 ZINC000513147639 566583989 /nfs/dbraw/zinc/58/39/89/566583989.db2.gz CDGGRQDFASYUEV-UHFFFAOYSA-N 0 1 391.265 3.378 20 0 GGADMN C[C@@H](CN1CCCN(c2ccc(Cl)c(Cl)c2)CC1)CS(C)(=O)=O ZINC000539490857 566584075 /nfs/dbraw/zinc/58/40/75/566584075.db2.gz HMZYPKHZHRFOJU-ZDUSSCGKSA-N 0 1 379.353 3.186 20 0 GGADMN COC1CCN(CCNC(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000674311336 566584957 /nfs/dbraw/zinc/58/49/57/566584957.db2.gz BVUCIEPAAUDSGZ-UHFFFAOYSA-N 0 1 395.297 3.344 20 0 GGADMN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000560007878 566584940 /nfs/dbraw/zinc/58/49/40/566584940.db2.gz WANWWOBLHXJMFV-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN COC1CCN(CCNC(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000674311605 566585038 /nfs/dbraw/zinc/58/50/38/566585038.db2.gz GSFCVHNAHYPXAM-UHFFFAOYSA-N 0 1 379.913 3.304 20 0 GGADMN COc1ccc([C@H](C)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(Br)c1 ZINC000539507703 566585261 /nfs/dbraw/zinc/58/52/61/566585261.db2.gz YAMHPGCGWDDGMT-OBJOEFQTSA-N 0 1 390.343 3.464 20 0 GGADMN Cn1cc(I)c(CN[C@H]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000449606799 566585617 /nfs/dbraw/zinc/58/56/17/566585617.db2.gz SDXUFMQTMPZYCA-OCCSQVGLSA-N 0 1 396.276 3.236 20 0 GGADMN Brc1ccn2cc(CNCc3ccccc3Cn3cncn3)nc2c1 ZINC000579177741 566586545 /nfs/dbraw/zinc/58/65/45/566586545.db2.gz NSIJYHIYPARSBQ-UHFFFAOYSA-N 0 1 397.280 3.026 20 0 GGADMN C[C@@H](CNCc1cccc(NC(=O)c2ccccc2Cl)c1)S(C)(=O)=O ZINC000539529386 566586896 /nfs/dbraw/zinc/58/68/96/566586896.db2.gz PYCRXQKOMAVZNF-ZDUSSCGKSA-N 0 1 380.897 3.115 20 0 GGADMN Cn1c(=O)oc2cc(CN[C@@](C)(CO)c3cc(Cl)cc(Cl)c3)ccc21 ZINC000449669210 566586970 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CC1=CCN(CCNC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000579195338 566588530 /nfs/dbraw/zinc/58/85/30/566588530.db2.gz OBDKIJAYWMNNRF-UHFFFAOYSA-N 0 1 389.297 3.017 20 0 GGADMN Cc1nsc(NC2CC2)c1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000579188257 566588661 /nfs/dbraw/zinc/58/86/61/566588661.db2.gz FADOLCCGCGJWLM-UHFFFAOYSA-N 0 1 380.583 3.117 20 0 GGADMN CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000579197516 566588725 /nfs/dbraw/zinc/58/87/25/566588725.db2.gz ODJDBVWUMNUEFF-LLVKDONJSA-N 0 1 396.260 3.358 20 0 GGADMN COc1ccc(Br)cc1C[C@H](CO)CNCc1csc(C)n1 ZINC000449679912 566589272 /nfs/dbraw/zinc/58/92/72/566589272.db2.gz IUIMNIDAYMMHHS-LBPRGKRZSA-N 0 1 385.327 3.163 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1Br ZINC000513221479 566590631 /nfs/dbraw/zinc/59/06/31/566590631.db2.gz BXXZIXVDGTWMCI-AWEZNQCLSA-N 0 1 399.329 3.347 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)c1 ZINC000466656821 566590909 /nfs/dbraw/zinc/59/09/09/566590909.db2.gz AWGSZOVSQJYRNY-UHFFFAOYSA-N 0 1 382.251 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O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000652440172 566612782 /nfs/dbraw/zinc/61/27/82/566612782.db2.gz ZWSLDKCSIVWFBO-CVEARBPZSA-N 0 1 376.503 3.215 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000652440172 566612787 /nfs/dbraw/zinc/61/27/87/566612787.db2.gz ZWSLDKCSIVWFBO-CVEARBPZSA-N 0 1 376.503 3.215 20 0 GGADMN CCCN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CC1 ZINC000560286846 566613228 /nfs/dbraw/zinc/61/32/28/566613228.db2.gz SXSZQGHTTKNOHA-UHFFFAOYSA-N 0 1 377.941 3.484 20 0 GGADMN Cc1[nH]ncc1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000513604592 566613377 /nfs/dbraw/zinc/61/33/77/566613377.db2.gz WNYWEGGBNYDTLZ-UHFFFAOYSA-N 0 1 379.136 3.069 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2Br)CCN1C ZINC000425192946 566613786 /nfs/dbraw/zinc/61/37/86/566613786.db2.gz FNSGLOITGPZGMT-GXTWGEPZSA-N 0 1 397.338 3.363 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000652484168 566613704 /nfs/dbraw/zinc/61/37/04/566613704.db2.gz 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ZINC000425254733 566624003 /nfs/dbraw/zinc/62/40/03/566624003.db2.gz FMYYSDWTGGECHN-JOCHJYFZSA-N 0 1 383.311 3.141 20 0 GGADMN COc1cc2nccc(N3CCO[C@@]4(CCO[C@@H]4C)C3)c2cc1Br ZINC000425257203 566624149 /nfs/dbraw/zinc/62/41/49/566624149.db2.gz IERVJFQJIDBBHG-XIKOKIGWSA-N 0 1 393.281 3.390 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H](C)CCc2ccco2)sc1Br ZINC000540040084 566624327 /nfs/dbraw/zinc/62/43/27/566624327.db2.gz HXCISYSPNMNAQW-QMMMGPOBSA-N 0 1 379.301 3.107 20 0 GGADMN Cc1nc(S(=O)(=O)NCCO[C@@H]2CCCC[C@H]2C)sc1Br ZINC000540039851 566624638 /nfs/dbraw/zinc/62/46/38/566624638.db2.gz AVDAAIKNXRFSDN-MWLCHTKSSA-N 0 1 397.360 3.088 20 0 GGADMN COC(=O)[C@H]1CCN(c2ccnc3cc(OC)c(Br)cc32)[C@H]1C ZINC000425260998 566624806 /nfs/dbraw/zinc/62/48/06/566624806.db2.gz YBDJRHBWOHYLFA-QWRGUYRKSA-N 0 1 379.254 3.394 20 0 GGADMN COC[C@@H]1CN(c2ccnc3cc(OC)c(Br)cc32)C[C@@H](C)O1 ZINC000425259680 566624885 /nfs/dbraw/zinc/62/48/85/566624885.db2.gz VMDXUHGEUNNHSY-NEPJUHHUSA-N 0 1 381.270 3.246 20 0 GGADMN 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COCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 ZINC000540338664 566647313 /nfs/dbraw/zinc/64/73/13/566647313.db2.gz STCGZUAYXKXDAQ-UHFFFAOYSA-N 0 1 377.853 3.473 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1cccc(Br)c1 ZINC000514223229 566647293 /nfs/dbraw/zinc/64/72/93/566647293.db2.gz WCMJKXOEZKMKEB-UHFFFAOYSA-N 0 1 388.309 3.307 20 0 GGADMN Cc1cccc(N2CCN(CCCNc3ccc(Br)cn3)CC2)c1 ZINC000606892620 566647558 /nfs/dbraw/zinc/64/75/58/566647558.db2.gz ONINJUKIIWZXCG-UHFFFAOYSA-N 0 1 389.341 3.199 20 0 GGADMN O=C(CN1CCN(C2CCC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000514192949 566647662 /nfs/dbraw/zinc/64/76/62/566647662.db2.gz DEKJHJBCECUWGT-UHFFFAOYSA-N 0 1 375.822 3.467 20 0 GGADMN O=C(NCCOc1cccc(Br)c1)c1cn[nH]c1-c1ccccn1 ZINC000579890099 566647853 /nfs/dbraw/zinc/64/78/53/566647853.db2.gz BSTPQRMLWHEDFU-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000560641397 566648089 /nfs/dbraw/zinc/64/80/89/566648089.db2.gz YQKIPGRNFJMPEC-RDJZCZTQSA-N 0 1 380.330 3.018 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ZINC000514657340 566659999 /nfs/dbraw/zinc/65/99/99/566659999.db2.gz VXGOWYBSSIHRKY-UHFFFAOYSA-N 0 1 375.226 3.429 20 0 GGADMN COC(=O)c1occc1CN[C@@H]1CCN(c2ccccc2Br)C1 ZINC000540600912 566660649 /nfs/dbraw/zinc/66/06/49/566660649.db2.gz CJRHFHYAXYNGKM-CYBMUJFWSA-N 0 1 379.254 3.197 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccnn1-c1cc(C)ccn1 ZINC000675726556 566660717 /nfs/dbraw/zinc/66/07/17/566660717.db2.gz ZIMIKTYMSRLZLP-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN CC(C)S(=O)(=O)N1CCC(N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467754770 566661224 /nfs/dbraw/zinc/66/12/24/566661224.db2.gz WQBMTKFZHBRMNC-JTQLQIEISA-N 0 1 385.477 3.015 20 0 GGADMN CCCS(=O)(=O)N1CCC(N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467750124 566661320 /nfs/dbraw/zinc/66/13/20/566661320.db2.gz VQOBKKITNXJJTM-SNVBAGLBSA-N 0 1 385.477 3.017 20 0 GGADMN CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467734393 566661369 /nfs/dbraw/zinc/66/13/69/566661369.db2.gz QXORLGLSXNKCDW-NSHDSACASA-N 0 1 399.504 3.263 20 0 GGADMN CCOc1c(Cl)cccc1CNCCOc1ccc(S(C)(=O)=O)cc1 ZINC000487304382 566661867 /nfs/dbraw/zinc/66/18/67/566661867.db2.gz UIMNDGRNFJHOIV-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1C(=O)[O-] ZINC000629495270 566662353 /nfs/dbraw/zinc/66/23/53/566662353.db2.gz IKJHVFKNBACSKA-MLGOLLRUSA-N 0 1 390.281 3.449 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1C(=O)[O-] ZINC000629495268 566662445 /nfs/dbraw/zinc/66/24/45/566662445.db2.gz IKJHVFKNBACSKA-BLLLJJGKSA-N 0 1 390.281 3.449 20 0 GGADMN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000675753169 566662579 /nfs/dbraw/zinc/66/25/79/566662579.db2.gz ACHRAWKQXNYPAR-UHFFFAOYSA-N 0 1 375.805 3.306 20 0 GGADMN O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000580066205 566663370 /nfs/dbraw/zinc/66/33/70/566663370.db2.gz SDMHTTUJXVGAIM-QMMMGPOBSA-N 0 1 389.175 3.216 20 0 GGADMN CCOc1c(Cl)cc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1Cl ZINC000467772295 566663384 /nfs/dbraw/zinc/66/33/84/566663384.db2.gz NROQZODLIIXKKU-LBPRGKRZSA-N 0 1 389.327 3.150 20 0 GGADMN C[C@@]1(CNCc2cn(-c3ccccc3Br)nn2)CCCC[C@H]1O ZINC000514694346 566663642 /nfs/dbraw/zinc/66/36/42/566663642.db2.gz CBCKVPKJGYPSJY-SJORKVTESA-N 0 1 379.302 3.061 20 0 GGADMN C[C@@H](NCc1ccc(F)cc1Br)c1cccc(-n2cnnn2)c1 ZINC000675765313 566663996 /nfs/dbraw/zinc/66/39/96/566663996.db2.gz BTYDVISHLQURAI-LLVKDONJSA-N 0 1 376.233 3.415 20 0 GGADMN Cc1cc([C@H](Cc2ccccc2Cl)NC[C@@H]2CS(=O)(=O)CCO2)cs1 ZINC000514712132 566665007 /nfs/dbraw/zinc/66/50/07/566665007.db2.gz QUBNCUXTLBPPRC-AEFFLSMTSA-N 0 1 399.965 3.397 20 0 GGADMN Cc1cc([C@@H](Cc2ccccc2Cl)NC[C@H]2CS(=O)(=O)CCO2)cs1 ZINC000514712133 566665014 /nfs/dbraw/zinc/66/50/14/566665014.db2.gz QUBNCUXTLBPPRC-FUHWJXTLSA-N 0 1 399.965 3.397 20 0 GGADMN O=C(c1cccc2n[nH]cc21)N1CCN(c2cccc(Br)c2)CC1 ZINC000580106100 566664996 /nfs/dbraw/zinc/66/49/96/566664996.db2.gz BXRKMWALXNLLMI-UHFFFAOYSA-N 0 1 385.265 3.288 20 0 GGADMN CCN(C(C)=O)c1nc(CSc2nc(-c3ccccc3O)n[nH]2)cs1 ZINC000514735786 566665181 /nfs/dbraw/zinc/66/51/81/566665181.db2.gz GDBNYVWKTWDSSO-UHFFFAOYSA-N 0 1 375.479 3.299 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000675804259 566665805 /nfs/dbraw/zinc/66/58/05/566665805.db2.gz RXLGAVNKUVUVKW-UHFFFAOYSA-N 0 1 389.297 3.008 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000607280503 566666390 /nfs/dbraw/zinc/66/63/90/566666390.db2.gz UOJFABKIOZTPNS-RYUDHWBXSA-N 0 1 379.917 3.431 20 0 GGADMN CCCN(C)CC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000607342377 566668126 /nfs/dbraw/zinc/66/81/26/566668126.db2.gz AJJIZJQTWNFRGT-UHFFFAOYSA-N 0 1 384.196 3.066 20 0 GGADMN Cc1cc(CN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)n[nH]1 ZINC000675892728 566668878 /nfs/dbraw/zinc/66/88/78/566668878.db2.gz WONSMOGFXFATIV-NSHDSACASA-N 0 1 375.274 3.221 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000467837650 566670543 /nfs/dbraw/zinc/67/05/43/566670543.db2.gz DYULAVKEOUJIIV-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN COc1ccc(CN2CC[C@H](NCc3ccc(Cl)s3)C2=O)c(OC)c1 ZINC000580177196 566670841 /nfs/dbraw/zinc/67/08/41/566670841.db2.gz FFWFIXGUQZCAHC-HNNXBMFYSA-N 0 1 380.897 3.309 20 0 GGADMN O=C(c1cc2cc(Br)ccc2o1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000561049747 566672064 /nfs/dbraw/zinc/67/20/64/566672064.db2.gz UADZSSVAAHDBIR-UHFFFAOYSA-N 0 1 392.209 3.304 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)c(Br)c1 ZINC000514850981 566673668 /nfs/dbraw/zinc/67/36/68/566673668.db2.gz FCYLHGDGUHVJQF-CYBMUJFWSA-N 0 1 380.261 3.360 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1c1ccc(Br)cc1 ZINC000580205616 566674318 /nfs/dbraw/zinc/67/43/18/566674318.db2.gz AKOSPACLWFFZKJ-DLBZAZTESA-N 0 1 375.266 3.187 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cc(C(N)=O)sc2C)cc1Cl ZINC000676076859 566674763 /nfs/dbraw/zinc/67/47/63/566674763.db2.gz XSFKFMVWUHNGCP-UHFFFAOYSA-N 0 1 395.289 3.272 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000514871847 566675013 /nfs/dbraw/zinc/67/50/13/566675013.db2.gz LSJRFXTYGMHQLY-CZUORRHYSA-N 0 1 391.313 3.454 20 0 GGADMN Cc1cc(C)n(C[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C(=O)[O-])n1 ZINC000580216642 566675154 /nfs/dbraw/zinc/67/51/54/566675154.db2.gz AWPSVCGQDAMEJU-HNNXBMFYSA-N 0 1 392.253 3.252 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cccc(Br)c1C ZINC000676076710 566675543 /nfs/dbraw/zinc/67/55/43/566675543.db2.gz XBBKPMPZGLLTDE-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN CSc1cc2c(cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1)OCCO2 ZINC000607614872 566676538 /nfs/dbraw/zinc/67/65/38/566676538.db2.gz ZGYSRLBXVDCKKV-UHFFFAOYSA-N 0 1 391.392 3.398 20 0 GGADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1csc(Cl)c1 ZINC000561134106 566677750 /nfs/dbraw/zinc/67/77/50/566677750.db2.gz GFAXMAPZZQHGKF-UHFFFAOYSA-N 0 1 377.941 3.291 20 0 GGADMN C[NH+](C)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000580247960 566677725 /nfs/dbraw/zinc/67/77/25/566677725.db2.gz SGZLIVRCKGDQHW-OAHLLOKOSA-N 0 1 381.245 3.327 20 0 GGADMN CCCN(C)CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000607679159 566677990 /nfs/dbraw/zinc/67/79/90/566677990.db2.gz LSUFYMBXUZSOEO-UHFFFAOYSA-N 0 1 379.302 3.169 20 0 GGADMN CC(C)O[C@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000514921732 566679901 /nfs/dbraw/zinc/67/99/01/566679901.db2.gz MLUCUGHMEMWCCB-VNHYZAJKSA-N 0 1 388.327 3.213 20 0 GGADMN Cc1cc(I)cc(NC(=O)c2ccc3cncn3c2)c1 ZINC000514927995 566680342 /nfs/dbraw/zinc/68/03/42/566680342.db2.gz OWYBWBPGCVYTHL-UHFFFAOYSA-N 0 1 377.185 3.500 20 0 GGADMN O=C(N=c1cc(-c2ccc(Br)s2)[n-][nH]1)c1ccc2c[nH+]cn2c1 ZINC000487540493 566680451 /nfs/dbraw/zinc/68/04/51/566680451.db2.gz SCKSHKYTZUFUHF-UHFFFAOYSA-N 0 1 388.250 3.223 20 0 GGADMN CC1CCC(O)(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000607753578 566680527 /nfs/dbraw/zinc/68/05/27/566680527.db2.gz ZZYLWGKSWNNPGP-UHFFFAOYSA-N 0 1 395.341 3.148 20 0 GGADMN CN(C)c1nc2ccc(NC(=O)c3n[nH]c(C4CC4)c3Br)cc2[nH]1 ZINC000468027152 566680691 /nfs/dbraw/zinc/68/06/91/566680691.db2.gz RGLGWBSEAVZMRO-UHFFFAOYSA-N 0 1 389.257 3.244 20 0 GGADMN O=C(Cn1cc(Br)cn1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000540921352 566681346 /nfs/dbraw/zinc/68/13/46/566681346.db2.gz IMCGOTLSXHICOI-UHFFFAOYSA-N 0 1 397.236 3.223 20 0 GGADMN Cc1cc(C2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)ccc1Br ZINC000425922576 566682207 /nfs/dbraw/zinc/68/22/07/566682207.db2.gz QRCAHQUEBNUCEN-KRWDZBQOSA-N 0 1 395.341 3.232 20 0 GGADMN COC(=O)c1cccc(OCCN(C)Cc2cc(Br)cn2C)c1 ZINC000468079986 566682239 /nfs/dbraw/zinc/68/22/39/566682239.db2.gz OBOOBDLWLTZJSF-UHFFFAOYSA-N 0 1 381.270 3.085 20 0 GGADMN CN(Cc1cc(Br)cn1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000468070653 566682295 /nfs/dbraw/zinc/68/22/95/566682295.db2.gz VQJSKZLSFJSHIX-OAHLLOKOSA-N 0 1 387.705 3.313 20 0 GGADMN C[C@@H]1[C@H](N2CCOCC2)CCN1c1ccnc2cc(F)c(Br)cc21 ZINC000450533346 566683110 /nfs/dbraw/zinc/68/31/10/566683110.db2.gz UFWUGDNCFFDFFA-SJKOYZFVSA-N 0 1 394.288 3.436 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)CC[C@H]1C(=O)[O-] ZINC000629772010 566683837 /nfs/dbraw/zinc/68/38/37/566683837.db2.gz KZHFRZGGTDVRIR-WCQYABFASA-N 0 1 384.270 3.153 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)CC[C@@H]1C(=O)[O-] ZINC000629772008 566684061 /nfs/dbraw/zinc/68/40/61/566684061.db2.gz KZHFRZGGTDVRIR-AAEUAGOBSA-N 0 1 384.270 3.153 20 0 GGADMN CCN(CCNC(=O)N1CCSC[C@H]1c1nccs1)CCC(F)(F)F ZINC000425963539 566684523 /nfs/dbraw/zinc/68/45/23/566684523.db2.gz CRUGAXAAWLNGPP-LBPRGKRZSA-N 0 1 396.504 3.217 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629772365 566684862 /nfs/dbraw/zinc/68/48/62/566684862.db2.gz NSFPUJGWJBROTB-LRDDRELGSA-N 0 1 378.270 3.177 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1C(=O)[O-] ZINC000629772367 566684950 /nfs/dbraw/zinc/68/49/50/566684950.db2.gz NSFPUJGWJBROTB-WBMJQRKESA-N 0 1 378.270 3.177 20 0 GGADMN Cc1cc(I)ccc1NC(=O)CN1CCC2(CCC2)C1 ZINC000468135547 566685025 /nfs/dbraw/zinc/68/50/25/566685025.db2.gz CUASORKQDKZKCV-UHFFFAOYSA-N 0 1 384.261 3.414 20 0 GGADMN CN(CCC[NH+]1CCCC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487660468 566685702 /nfs/dbraw/zinc/68/57/02/566685702.db2.gz AOHOGGXBRSRJJT-UHFFFAOYSA-N 0 1 392.297 3.261 20 0 GGADMN CCN(CCNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)CCC(F)(F)F ZINC000425997849 566685915 /nfs/dbraw/zinc/68/59/15/566685915.db2.gz ZJXIYNFCRMHLRZ-CYBMUJFWSA-N 0 1 378.464 3.476 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2CSC[C@@H]2C)cc1 ZINC000561221651 566685921 /nfs/dbraw/zinc/68/59/21/566685921.db2.gz TXSJWJMCYFCQAE-GXTWGEPZSA-N 0 1 396.559 3.339 20 0 GGADMN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cnc(NC(C)=O)s2)c1 ZINC000580354696 566686699 /nfs/dbraw/zinc/68/66/99/566686699.db2.gz PPMALJNYWCBXIO-UHFFFAOYSA-N 0 1 387.870 3.148 20 0 GGADMN Cc1ccc2cc([C@H](C)NC[C@@H](O)CS(=O)(=O)c3cccs3)oc2c1 ZINC000426032160 566687846 /nfs/dbraw/zinc/68/78/46/566687846.db2.gz WZLCJYGRGITRCC-DZGCQCFKSA-N 0 1 379.503 3.288 20 0 GGADMN O=[S@@](CCN[C@@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000541022655 566688012 /nfs/dbraw/zinc/68/80/12/566688012.db2.gz 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CCc1[nH]nc(C(=O)N(C)CC(=O)Nc2ccccc2CC)c1Br ZINC000468242379 566692534 /nfs/dbraw/zinc/69/25/34/566692534.db2.gz CTLNMFXLGSSFDA-UHFFFAOYSA-N 0 1 393.285 3.008 20 0 GGADMN Cc1nc(C)c(CNCCS(=O)(=O)c2cccc(Br)c2)s1 ZINC000580434549 566692943 /nfs/dbraw/zinc/69/29/43/566692943.db2.gz AFIIVUMWWQDQKL-UHFFFAOYSA-N 0 1 389.340 3.086 20 0 GGADMN COc1ccccc1[C@H](CO)NCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000541055631 566693059 /nfs/dbraw/zinc/69/30/59/566693059.db2.gz VFTMHPYLIQNONM-OWJWWREXSA-N 0 1 388.316 3.433 20 0 GGADMN Cc1[nH]ncc1CNC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000487841434 566693426 /nfs/dbraw/zinc/69/34/26/566693426.db2.gz PEIXETJQKRNGHP-UHFFFAOYSA-N 0 1 377.286 3.402 20 0 GGADMN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000541078699 566693864 /nfs/dbraw/zinc/69/38/64/566693864.db2.gz VPZOZMWXLALRKY-DEOSSOPVSA-N 0 1 376.459 3.021 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(F)ccc2Br)C1 ZINC000426130496 566694164 /nfs/dbraw/zinc/69/41/64/566694164.db2.gz ZSNBFDDXCAOYLU-SECBINFHSA-N 0 1 383.183 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CC(C)N1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000426840792 566733478 /nfs/dbraw/zinc/73/34/78/566733478.db2.gz RQEXUBAHXBQFCZ-CQSZACIVSA-N 0 1 384.343 3.332 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H](OCC(F)(F)F)C1)c1cccs1 ZINC000515803940 566733872 /nfs/dbraw/zinc/73/38/72/566733872.db2.gz AZZKHICFWZBNRY-CHWSQXEVSA-N 0 1 379.448 3.104 20 0 GGADMN Cc1cc(Br)cn2c(CNCc3n[nH]c(C(C)(C)C)n3)cnc12 ZINC000515792094 566733964 /nfs/dbraw/zinc/73/39/64/566733964.db2.gz HKJZKJJGWBKCRL-UHFFFAOYSA-N 0 1 377.290 3.111 20 0 GGADMN COc1cccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(Cl)c2)c1 ZINC000608760239 566734213 /nfs/dbraw/zinc/73/42/13/566734213.db2.gz YFQJNLITMCMEDU-UHFFFAOYSA-N 0 1 384.885 3.090 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@H](OCC(F)(F)F)C1)c1cccs1 ZINC000515803943 566734197 /nfs/dbraw/zinc/73/41/97/566734197.db2.gz AZZKHICFWZBNRY-STQMWFEESA-N 0 1 379.448 3.104 20 0 GGADMN CCOc1ccc2c(c1)CCN(C(=O)c1n[nH]c(CC)c1Br)C2 ZINC000468822803 566734164 /nfs/dbraw/zinc/73/41/64/566734164.db2.gz 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CCc1[nH]nc(C(=O)N(C)[C@H](C)Cc2ccccc2OC)c1Br ZINC000468985915 566750743 /nfs/dbraw/zinc/75/07/43/566750743.db2.gz MHNOCCAJIAEGGM-LLVKDONJSA-N 0 1 380.286 3.446 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000488854887 566752452 /nfs/dbraw/zinc/75/24/52/566752452.db2.gz PDJFZJCPSUGHFQ-RYUDHWBXSA-N 0 1 382.423 3.386 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)N1CCCC[C@@H]1C ZINC000488854884 566752584 /nfs/dbraw/zinc/75/25/84/566752584.db2.gz PDJFZJCPSUGHFQ-NWDGAFQWSA-N 0 1 382.423 3.386 20 0 GGADMN Cn1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC000541825733 566752711 /nfs/dbraw/zinc/75/27/11/566752711.db2.gz OBWQWZBPIHPLNF-LLVKDONJSA-N 0 1 387.305 3.021 20 0 GGADMN Cc1noc([C@H](C)N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)n1 ZINC000581140890 566752726 /nfs/dbraw/zinc/75/27/26/566752726.db2.gz PTSPKMVVNYBQSL-VIFPVBQESA-N 0 1 390.241 3.364 20 0 GGADMN CCN(C)C(=O)CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000561953931 566752812 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566760662 /nfs/dbraw/zinc/76/06/62/566760662.db2.gz YMKPNOXVRFVSSB-CYBMUJFWSA-N 0 1 379.791 3.321 20 0 GGADMN CCN(CCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C)CCC(F)(F)F ZINC000427256192 566760742 /nfs/dbraw/zinc/76/07/42/566760742.db2.gz IVNQPTUFDQCEHS-HNNXBMFYSA-N 0 1 379.854 3.333 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2)o1 ZINC000609352161 566760815 /nfs/dbraw/zinc/76/08/15/566760815.db2.gz ZADSOBBHFSYCIZ-LLVKDONJSA-N 0 1 377.340 3.038 20 0 GGADMN Cc1ccccc1OC[C@@H](O)CN[C@@H](CCO)c1ccccc1Br ZINC000541947796 566760788 /nfs/dbraw/zinc/76/07/88/566760788.db2.gz AMTTZYJHYFLHED-YJBOKZPZSA-N 0 1 394.309 3.211 20 0 GGADMN C[NH+]1CCC(Oc2ccc(Cl)cc2[N-]S(=O)(=O)CCCCF)CC1 ZINC000451117229 566761556 /nfs/dbraw/zinc/76/15/56/566761556.db2.gz UCCLTWPPOAEWCI-UHFFFAOYSA-N 0 1 378.897 3.304 20 0 GGADMN CCS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000451115793 566761721 /nfs/dbraw/zinc/76/17/21/566761721.db2.gz OGDDNOJXZUCMAW-UHFFFAOYSA-N 0 1 387.910 3.384 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1ccc(C)c(C)c1 ZINC000469112252 566761930 /nfs/dbraw/zinc/76/19/30/566761930.db2.gz ZGFLEHDOTSLBOG-INIZCTEOSA-N 0 1 385.844 3.289 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000469101892 566762173 /nfs/dbraw/zinc/76/21/73/566762173.db2.gz WPMPOQJOAVIFHW-UHFFFAOYSA-N 0 1 387.237 3.332 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)cnc1C ZINC000427278020 566762530 /nfs/dbraw/zinc/76/25/30/566762530.db2.gz VJWHPCPVKBVCQN-UHFFFAOYSA-N 0 1 386.882 3.353 20 0 GGADMN FC(F)(F)C1CC(NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000562075045 566762899 /nfs/dbraw/zinc/76/28/99/566762899.db2.gz STCNVJHDRFRWAY-UHFFFAOYSA-N 0 1 375.192 3.460 20 0 GGADMN CCN1CCCN(C(=O)c2cc(Br)c(Cl)cc2OC)CC1 ZINC000469126187 566763129 /nfs/dbraw/zinc/76/31/29/566763129.db2.gz YJEGWTWBBCPZIS-UHFFFAOYSA-N 0 1 375.694 3.279 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1cc(F)ccc1Cl ZINC000489004077 566763227 /nfs/dbraw/zinc/76/32/27/566763227.db2.gz WBINDXXNPFOSSK-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CSc1ccc(F)cc1CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000562088880 566763462 /nfs/dbraw/zinc/76/34/62/566763462.db2.gz KMTHAXGODAACNP-KRWDZBQOSA-N 0 1 380.510 3.362 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)s1 ZINC000654920330 566763533 /nfs/dbraw/zinc/76/35/33/566763533.db2.gz UDIPAZHMHPPLDP-ZDUSSCGKSA-N 0 1 387.343 3.146 20 0 GGADMN O=C(Nc1nc2ccccn2n1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000677805136 566763759 /nfs/dbraw/zinc/76/37/59/566763759.db2.gz UGUIDCQOEFZUQE-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000677807427 566763932 /nfs/dbraw/zinc/76/39/32/566763932.db2.gz MPGCAROBUPNRLO-SSDOTTSWSA-N 0 1 393.332 3.100 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](CO)c2ccccc2C)c(Br)c1 ZINC000541983045 566766206 /nfs/dbraw/zinc/76/62/06/566766206.db2.gz IIQMUUQDODQFIQ-KRWDZBQOSA-N 0 1 377.282 3.328 20 0 GGADMN CCc1ccc([C@@H](CO)NCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000541985343 566766223 /nfs/dbraw/zinc/76/62/23/566766223.db2.gz XKGOJNFCPBYWAX-QGZVFWFLSA-N 0 1 395.272 3.412 20 0 GGADMN CN(CC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CCSC1 ZINC000677869073 566767524 /nfs/dbraw/zinc/76/75/24/566767524.db2.gz RNWCXKWKFKFNKK-MXWKQRLJSA-N 0 1 378.382 3.013 20 0 GGADMN CN(CC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1CCSC1 ZINC000677869074 566767577 /nfs/dbraw/zinc/76/75/77/566767577.db2.gz RNWCXKWKFKFNKK-OUAUKWLOSA-N 0 1 378.382 3.013 20 0 GGADMN FC(F)(F)Oc1ccc(CN2CC[C@H](c3nnc[nH]3)C2)cc1Br ZINC000581306648 566767502 /nfs/dbraw/zinc/76/75/02/566767502.db2.gz MZCAVDCUAAOVIN-JTQLQIEISA-N 0 1 391.191 3.455 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cnc1C ZINC000427330279 566767663 /nfs/dbraw/zinc/76/76/63/566767663.db2.gz UXRLOBFZBHENQR-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)N2CCc3ccc(Br)cc3C2)n[nH]1 ZINC000516547631 566767919 /nfs/dbraw/zinc/76/79/19/566767919.db2.gz DRFCDSNXFCMMLS-UHFFFAOYSA-N 0 1 392.301 3.133 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2ccc(OCC(F)(F)F)cc2)s1 ZINC000469158120 566767797 /nfs/dbraw/zinc/76/77/97/566767797.db2.gz LPXVMPNKUWYHJF-UHFFFAOYSA-N 0 1 379.425 3.383 20 0 GGADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1cccc(SC)c1 ZINC000451156423 566767828 /nfs/dbraw/zinc/76/78/28/566767828.db2.gz RTEQAFCUSIOACD-GFCCVEGCSA-N 0 1 385.429 3.059 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2c[nH]nc2-c2c(F)cccc2F)s1 ZINC000469160354 566767933 /nfs/dbraw/zinc/76/79/33/566767933.db2.gz LYAWUWHQPIUFAJ-UHFFFAOYSA-N 0 1 383.445 3.110 20 0 GGADMN CC[C@@H](CO)N(C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451158492 566768055 /nfs/dbraw/zinc/76/80/55/566768055.db2.gz ZEURBBSKRUMAFJ-JTQLQIEISA-N 0 1 383.208 3.109 20 0 GGADMN CN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469178704 566768549 /nfs/dbraw/zinc/76/85/49/566768549.db2.gz AJAKZNPZHOCKQE-UHFFFAOYSA-N 0 1 386.945 3.235 20 0 GGADMN O=S(=O)([N-]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1sccc1Cl ZINC000451168971 566769235 /nfs/dbraw/zinc/76/92/35/566769235.db2.gz YNPXLRDKCQDUQO-OAHLLOKOSA-N 0 1 384.954 3.244 20 0 GGADMN O=S(=O)([N-]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1sccc1Cl ZINC000451168971 566769243 /nfs/dbraw/zinc/76/92/43/566769243.db2.gz YNPXLRDKCQDUQO-OAHLLOKOSA-N 0 1 384.954 3.244 20 0 GGADMN CC(C)[C@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CCN1C ZINC000451163067 566769434 /nfs/dbraw/zinc/76/94/34/566769434.db2.gz OODURQZWKKAJNZ-QGZVFWFLSA-N 0 1 376.298 3.410 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(Br)cc3nc(C)oc32)n[nH]1 ZINC000581353340 566770183 /nfs/dbraw/zinc/77/01/83/566770183.db2.gz PSMJCTOLJJCOQO-ZETCQYMHSA-N 0 1 393.245 3.462 20 0 GGADMN COCCn1ncc2ccc(NS(=O)(=O)c3cc(C)ccc3Cl)cc21 ZINC000677957419 566770835 /nfs/dbraw/zinc/77/08/35/566770835.db2.gz JGKXUYBJJSYNHK-UHFFFAOYSA-N 0 1 379.869 3.445 20 0 GGADMN O=C(Nc1ccn(-c2ncccc2F)n1)c1ccc(Br)c(O)c1 ZINC000677940998 566771038 /nfs/dbraw/zinc/77/10/38/566771038.db2.gz NWPSLRZOXFNBBA-UHFFFAOYSA-N 0 1 377.173 3.127 20 0 GGADMN CCN(CCNC(=O)C[C@@H]1CSc2ccccc2O1)CCC(F)(F)F ZINC000451173766 566771099 /nfs/dbraw/zinc/77/10/99/566771099.db2.gz UKGOCBPXBZETOJ-CYBMUJFWSA-N 0 1 376.444 3.320 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000677958399 566771250 /nfs/dbraw/zinc/77/12/50/566771250.db2.gz DOHPONMQFVUAHD-UHFFFAOYSA-N 0 1 378.784 3.188 20 0 GGADMN CCSc1cccc(Br)c1NS(=O)(=O)c1c[nH]c(C)n1 ZINC000562231516 566771424 /nfs/dbraw/zinc/77/14/24/566771424.db2.gz RUIDEYFICSSFMT-UHFFFAOYSA-N 0 1 376.301 3.393 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@]1(C)OCCc2sccc21)c1cccs1 ZINC000562226713 566771479 /nfs/dbraw/zinc/77/14/79/566771479.db2.gz BVBSHMFUTWZION-KBXCAEBGSA-N 0 1 379.551 3.200 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc([S@@](C)=O)cc1 ZINC000542046634 566772238 /nfs/dbraw/zinc/77/22/38/566772238.db2.gz IZHLVLOWZLIESL-FNODVLLQSA-N 0 1 384.954 3.448 20 0 GGADMN O=C([O-])CC1(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)CC1 ZINC000581381701 566772536 /nfs/dbraw/zinc/77/25/36/566772536.db2.gz WCXUBYPBUNBCMZ-AWEZNQCLSA-N 0 1 399.272 3.411 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccc(S(C)(=O)=O)s1 ZINC000469217483 566773043 /nfs/dbraw/zinc/77/30/43/566773043.db2.gz MPWXPYZFQVJJQD-NSHDSACASA-N 0 1 386.926 3.312 20 0 GGADMN Brc1cnccc1CNc1ccc(CCN2CCOCC2)cc1 ZINC000631048776 566773519 /nfs/dbraw/zinc/77/35/19/566773519.db2.gz KUASQUVYXJQSFB-UHFFFAOYSA-N 0 1 376.298 3.331 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000516622263 566773653 /nfs/dbraw/zinc/77/36/53/566773653.db2.gz KDUMIVBDKDLLOB-TZMCWYRMSA-N 0 1 376.913 3.417 20 0 GGADMN COC(=O)c1nn(C)c(C)c1-c1nc2cc(Br)c(Cl)cc2[nH]1 ZINC000427445957 566773448 /nfs/dbraw/zinc/77/34/48/566773448.db2.gz HMRBWCTVOJPKAD-UHFFFAOYSA-N 0 1 383.633 3.474 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000516622263 566773659 /nfs/dbraw/zinc/77/36/59/566773659.db2.gz KDUMIVBDKDLLOB-TZMCWYRMSA-N 0 1 376.913 3.417 20 0 GGADMN Fc1cccc([C@H](CNCc2ccncc2Br)N2CCOCC2)c1 ZINC000631051580 566774054 /nfs/dbraw/zinc/77/40/54/566774054.db2.gz BIVRESRBJAFLQQ-SFHVURJKSA-N 0 1 394.288 3.146 20 0 GGADMN COc1cc(Cl)c(CNCc2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000631046866 566774238 /nfs/dbraw/zinc/77/42/38/566774238.db2.gz JPXSZIRMDMXMQT-UHFFFAOYSA-N 0 1 384.885 3.019 20 0 GGADMN O=C(NC[C@H](CO)Cc1ccccc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427461529 566774212 /nfs/dbraw/zinc/77/42/12/566774212.db2.gz ASNKDIIGHQSDFN-CYBMUJFWSA-N 0 1 375.881 3.373 20 0 GGADMN OCCn1ncc2c1CCC[C@@H]2NCc1cccc(Br)c1Cl ZINC000631049421 566774315 /nfs/dbraw/zinc/77/43/15/566774315.db2.gz GFAUINILZKCLPX-AWEZNQCLSA-N 0 1 384.705 3.459 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(I)cc2)n[nH]1 ZINC000489210259 566775040 /nfs/dbraw/zinc/77/50/40/566775040.db2.gz UJAXJEFOSDWQTC-VHSXEESVSA-N 0 1 398.248 3.414 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000581412348 566775186 /nfs/dbraw/zinc/77/51/86/566775186.db2.gz BWHAHYVAHLXMIY-ZDUSSCGKSA-N 0 1 383.283 3.132 20 0 GGADMN COC(=O)[C@@H]1CC12CCN([C@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000609614611 566775596 /nfs/dbraw/zinc/77/55/96/566775596.db2.gz OFYIBFCBTLRUBJ-DOMZBBRYSA-N 0 1 395.297 3.051 20 0 GGADMN COC(=O)[C@H]1CC12CCN(Cc1cc(OC)c(OC)cc1Br)CC2 ZINC000609614257 566775762 /nfs/dbraw/zinc/77/57/62/566775762.db2.gz OBFHLLQRRKPEQR-CYBMUJFWSA-N 0 1 398.297 3.241 20 0 GGADMN C[C@@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000677998414 566775835 /nfs/dbraw/zinc/77/58/35/566775835.db2.gz FZAUNBJFYPONQK-CRAIPNDOSA-N 0 1 395.341 3.266 20 0 GGADMN COc1cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(F)cc1Br ZINC000631078063 566776564 /nfs/dbraw/zinc/77/65/64/566776564.db2.gz POJXCEGXSWVFKP-VXGBXAGGSA-N 0 1 394.306 3.042 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)C[C@@H]1CCOC1 ZINC000609631788 566777225 /nfs/dbraw/zinc/77/72/25/566777225.db2.gz YBNCQWLEMMESBJ-NSHDSACASA-N 0 1 389.279 3.077 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)COc2ccc(F)cc2Br)n[nH]1 ZINC000489262907 566777567 /nfs/dbraw/zinc/77/75/67/566777567.db2.gz XUJXESXHEYTFOR-VHSXEESVSA-N 0 1 399.264 3.476 20 0 GGADMN Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@](O)(C4CC4)C3)C2=O)ccc1Br ZINC000489264412 566777624 /nfs/dbraw/zinc/77/76/24/566777624.db2.gz MEJORBBVLLDNNP-IEBWSBKVSA-N 0 1 393.325 3.100 20 0 GGADMN C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451222676 566778609 /nfs/dbraw/zinc/77/86/09/566778609.db2.gz NDWJVTAMLFYTCB-JTQLQIEISA-N 0 1 375.368 3.026 20 0 GGADMN O=C1NCc2c1cccc2NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000581450639 566779128 /nfs/dbraw/zinc/77/91/28/566779128.db2.gz QCQFKUOOLORIOY-UHFFFAOYSA-N 0 1 390.770 3.403 20 0 GGADMN Cc1cccnc1C(C)(C)CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000581461603 566780241 /nfs/dbraw/zinc/78/02/41/566780241.db2.gz YXFKBPISLUQWSW-HNNXBMFYSA-N 0 1 376.298 3.246 20 0 GGADMN COc1ccccc1C(=O)CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427560848 566780252 /nfs/dbraw/zinc/78/02/52/566780252.db2.gz WRBBIKDYWNPSFR-UHFFFAOYSA-N 0 1 375.837 3.413 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCN1C ZINC000489311867 566780608 /nfs/dbraw/zinc/78/06/08/566780608.db2.gz HZVCUKPJEDJTDS-INIZCTEOSA-N 0 1 382.277 3.482 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@H](c2ccco2)N(CC)CC)c1Br ZINC000469320958 566781335 /nfs/dbraw/zinc/78/13/35/566781335.db2.gz LEXUVGOYQZDLCA-GFCCVEGCSA-N 0 1 383.290 3.141 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)N(CC)CC)c1Br ZINC000469320964 566781386 /nfs/dbraw/zinc/78/13/86/566781386.db2.gz LEXUVGOYQZDLCA-LBPRGKRZSA-N 0 1 383.290 3.141 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc3cccnc32)CCN1C ZINC000489336998 566781746 /nfs/dbraw/zinc/78/17/46/566781746.db2.gz KWJSIDOLUNUNDW-INIZCTEOSA-N 0 1 376.298 3.410 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2cccc3cccnc32)ccc1Cl ZINC000609691652 566782200 /nfs/dbraw/zinc/78/22/00/566782200.db2.gz DOPVUYVIHOQQAX-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN NC(=O)[C@H](NCCc1ccc(F)c(F)c1F)c1cccc(Br)c1 ZINC000542209521 566782568 /nfs/dbraw/zinc/78/25/68/566782568.db2.gz RDURIYAWTNIACW-OAHLLOKOSA-N 0 1 387.199 3.225 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCN1C ZINC000489359697 566782826 /nfs/dbraw/zinc/78/28/26/566782826.db2.gz WWDPVHFXDUACDR-KRWDZBQOSA-N 0 1 391.313 3.047 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000427620257 566782858 /nfs/dbraw/zinc/78/28/58/566782858.db2.gz FXFUWJAGSBJOAH-PRHODGIISA-N 0 1 379.791 3.319 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000469332607 566783015 /nfs/dbraw/zinc/78/30/15/566783015.db2.gz ZJFXXLUURQNJQR-UHFFFAOYSA-N 0 1 377.235 3.223 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H]2CSc3ccc(Br)cc32)[nH]1 ZINC000562353349 566783033 /nfs/dbraw/zinc/78/30/33/566783033.db2.gz OTKLSIVGLZITSJ-LLVKDONJSA-N 0 1 399.339 3.321 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)CCCCc1cn[nH]n1 ZINC000469340470 566783136 /nfs/dbraw/zinc/78/31/36/566783136.db2.gz SQMFTBIIJZJLEE-AWEZNQCLSA-N 0 1 379.302 3.418 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1I ZINC000489363427 566783231 /nfs/dbraw/zinc/78/32/31/566783231.db2.gz BICZAWSQGSTNRD-OAHLLOKOSA-N 0 1 386.277 3.012 20 0 GGADMN CSc1cc(Br)ccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000678124678 566783330 /nfs/dbraw/zinc/78/33/30/566783330.db2.gz LJWFYBPQKATYCB-MRXNPFEDSA-N 0 1 385.371 3.468 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C)[C@H](C(C)C)C2)cc1I ZINC000489363426 566783516 /nfs/dbraw/zinc/78/35/16/566783516.db2.gz BICZAWSQGSTNRD-HNNXBMFYSA-N 0 1 386.277 3.012 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CCN1C ZINC000489340173 566783633 /nfs/dbraw/zinc/78/36/33/566783633.db2.gz OPZCJRBDEJHIGW-KRWDZBQOSA-N 0 1 391.313 3.047 20 0 GGADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000581494658 566783644 /nfs/dbraw/zinc/78/36/44/566783644.db2.gz WTUWPJHJJQVSSI-HNNXBMFYSA-N 0 1 376.678 3.416 20 0 GGADMN CN(CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000516776815 566783947 /nfs/dbraw/zinc/78/39/47/566783947.db2.gz IGGXIBUDVMYMAE-UHFFFAOYSA-N 0 1 390.349 3.097 20 0 GGADMN Cc1cc(NC(=O)CNCc2ccc3c(c2)ncn3C)ccc1Br ZINC000516797892 566784067 /nfs/dbraw/zinc/78/40/67/566784067.db2.gz LWCGVFMIDLVZOQ-UHFFFAOYSA-N 0 1 387.281 3.373 20 0 GGADMN Cc1sc2ncnc(SCC(=O)N3CCN(C)[C@@H](C(C)C)C3)c2c1C ZINC000489349188 566784045 /nfs/dbraw/zinc/78/40/45/566784045.db2.gz LGPJGYKHCPJFAF-CQSZACIVSA-N 0 1 378.567 3.199 20 0 GGADMN C[C@H](NCc1ccc(=O)[nH]c1)c1ccc(Br)cc1OCCCO ZINC000631139763 566784867 /nfs/dbraw/zinc/78/48/67/566784867.db2.gz PYPNZPASQKZGNJ-LBPRGKRZSA-N 0 1 381.270 3.162 20 0 GGADMN C[C@H](c1ccccc1Cl)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451268943 566785056 /nfs/dbraw/zinc/78/50/56/566785056.db2.gz NYXKHHXAPIIDSO-CQSZACIVSA-N 0 1 381.929 3.117 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCN1C ZINC000489391624 566785139 /nfs/dbraw/zinc/78/51/39/566785139.db2.gz NEMJSMZRYOYYRE-AWEZNQCLSA-N 0 1 391.313 3.251 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1Br ZINC000542235748 566785090 /nfs/dbraw/zinc/78/50/90/566785090.db2.gz LYDPSVQRZVJMNV-BZNIZROVSA-N 0 1 395.272 3.344 20 0 GGADMN CC(C)c1nc(C[S@@](=O)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n[nH]1 ZINC000562371485 566785265 /nfs/dbraw/zinc/78/52/65/566785265.db2.gz POOPKCXTMWJISQ-VWLOTQADSA-N 0 1 399.307 3.265 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000542238972 566785239 /nfs/dbraw/zinc/78/52/39/566785239.db2.gz TUFFRAVNQVXYLN-CQSZACIVSA-N 0 1 392.235 3.325 20 0 GGADMN COC(=O)c1cc(Br)c(F)cc1NS(=O)(=O)c1ccccc1 ZINC000542236561 566785428 /nfs/dbraw/zinc/78/54/28/566785428.db2.gz LCHOZHDISCGVEH-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN COc1ccc([C@@H](C)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Br ZINC000542235747 566785556 /nfs/dbraw/zinc/78/55/56/566785556.db2.gz LYDPSVQRZVJMNV-BDJLRTHQSA-N 0 1 395.272 3.344 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc3cc(Br)cc(C)c3o2)C1 ZINC000678143304 566785643 /nfs/dbraw/zinc/78/56/43/566785643.db2.gz RUQSKDQCQUFVDP-OAHLLOKOSA-N 0 1 395.297 3.344 20 0 GGADMN Cc1cccc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1I ZINC000489370178 566785715 /nfs/dbraw/zinc/78/57/15/566785715.db2.gz OBHIDRMAJXMQAA-AWEZNQCLSA-N 0 1 386.277 3.012 20 0 GGADMN COC[C@]1(CNCc2ccncc2Br)OCCc2ccccc21 ZINC000631144061 566785892 /nfs/dbraw/zinc/78/58/92/566785892.db2.gz UDQSDMDOGGHGOB-SFHVURJKSA-N 0 1 377.282 3.048 20 0 GGADMN CCn1c(NC(=O)c2cnc3nc[nH]c3c2)nc2cc(Br)ccc21 ZINC000678192971 566786665 /nfs/dbraw/zinc/78/66/65/566786665.db2.gz WHCIHWMCDYDMSU-UHFFFAOYSA-N 0 1 385.225 3.342 20 0 GGADMN C[C@H](N[C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)Nc1ncccn1 ZINC000562381874 566786879 /nfs/dbraw/zinc/78/68/79/566786879.db2.gz ZJVLJJZOKAAVRP-XHDPSFHLSA-N 0 1 389.297 3.479 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cc(C)oc1C)c1ccc(Cl)cc1Cl ZINC000542240278 566787379 /nfs/dbraw/zinc/78/73/79/566787379.db2.gz NGTHJDKSOQNOLA-CQSZACIVSA-N 0 1 392.260 3.396 20 0 GGADMN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCO1 ZINC000516848308 566787339 /nfs/dbraw/zinc/78/73/39/566787339.db2.gz AZIIQNNCOFRQRQ-PVXIVEMSSA-N 0 1 383.901 3.251 20 0 GGADMN Cc1sc(Br)c(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c1C ZINC000655229035 566787577 /nfs/dbraw/zinc/78/75/77/566787577.db2.gz BLFSJILVMSLUFC-VIFPVBQESA-N 0 1 385.287 3.027 20 0 GGADMN OCCN(Cc1[nH]nc2ccccc21)Cc1cc(Br)ccc1F ZINC000678222325 566787730 /nfs/dbraw/zinc/78/77/30/566787730.db2.gz LPCUMJXVMYDBAZ-UHFFFAOYSA-N 0 1 378.245 3.459 20 0 GGADMN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CCc2[nH]nnc2C1 ZINC000469408830 566787724 /nfs/dbraw/zinc/78/77/24/566787724.db2.gz XIGJOIYZHWYYFE-UHFFFAOYSA-N 0 1 380.260 3.434 20 0 GGADMN COc1cc([C@H](C)NCc2cncc(Br)c2)ccc1OCCO ZINC000542252779 566787913 /nfs/dbraw/zinc/78/79/13/566787913.db2.gz HWSKGWFSTKXTBS-LBPRGKRZSA-N 0 1 381.270 3.075 20 0 GGADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000581553759 566788141 /nfs/dbraw/zinc/78/81/41/566788141.db2.gz DZJPFGRLAXLBFU-HNNXBMFYSA-N 0 1 376.678 3.416 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc(Cl)cc(Br)c1 ZINC000655231886 566788240 /nfs/dbraw/zinc/78/82/40/566788240.db2.gz NKJGMAHGLWVZPE-NSHDSACASA-N 0 1 385.649 3.002 20 0 GGADMN CC[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(Cl)s1 ZINC000581561595 566788271 /nfs/dbraw/zinc/78/82/71/566788271.db2.gz AEDZDUWWERMDBB-RYUDHWBXSA-N 0 1 399.969 3.449 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2O)C[C@H]1c1ccc(Br)cc1 ZINC000581553836 566788467 /nfs/dbraw/zinc/78/84/67/566788467.db2.gz IAZFWXCLSPFKAB-XLNGHYISSA-N 0 1 382.298 3.100 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000655234560 566788972 /nfs/dbraw/zinc/78/89/72/566788972.db2.gz SBGHUEYDUHKVJM-OBJOEFQTSA-N 0 1 381.263 3.383 20 0 GGADMN CC(C)(C(=O)NCc1n[nH]c([C@H]2CCCO2)n1)c1ccccc1Br ZINC000655230644 566789091 /nfs/dbraw/zinc/78/90/91/566789091.db2.gz RCJPPUIZQHABGK-CYBMUJFWSA-N 0 1 393.285 3.013 20 0 GGADMN CC(C)(C(=O)NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc(Br)cc1 ZINC000655237257 566789118 /nfs/dbraw/zinc/78/91/18/566789118.db2.gz LEJIQIRZYXPRQV-CYBMUJFWSA-N 0 1 393.285 3.013 20 0 GGADMN O=C(Cc1csc2ccc(Cl)cc12)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655232138 566789211 /nfs/dbraw/zinc/78/92/11/566789211.db2.gz PPAOCDOZAZQGAN-CYBMUJFWSA-N 0 1 376.869 3.383 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000655238256 566789229 /nfs/dbraw/zinc/78/92/29/566789229.db2.gz ZBSSCAZIFPEKJQ-NSHDSACASA-N 0 1 380.235 3.374 20 0 GGADMN O=C(CCCc1ccccc1Br)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655231967 566789312 /nfs/dbraw/zinc/78/93/12/566789312.db2.gz PCHMOTPPFPDONC-AWEZNQCLSA-N 0 1 393.285 3.058 20 0 GGADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(Br)ccc1Cl ZINC000655238432 566789434 /nfs/dbraw/zinc/78/94/34/566789434.db2.gz KORHJUGDPLAZJF-LLVKDONJSA-N 0 1 385.649 3.002 20 0 GGADMN C[C@@H]1[C@H](NS(=O)(=O)Cc2ccccc2Cl)CCN1Cc1ccccc1 ZINC000516889983 566789472 /nfs/dbraw/zinc/78/94/72/566789472.db2.gz VEUYOHQNAXRUDQ-DNVCBOLYSA-N 0 1 378.925 3.422 20 0 GGADMN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N1CCc2[nH]nnc2C1 ZINC000469430215 566790180 /nfs/dbraw/zinc/79/01/80/566790180.db2.gz OITMSOXOXPXKIA-AWEZNQCLSA-N 0 1 391.313 3.357 20 0 GGADMN CCC(C)(C)N1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000655269297 566790721 /nfs/dbraw/zinc/79/07/21/566790721.db2.gz LQXSGYJAJDXRNB-UHFFFAOYSA-N 0 1 379.302 3.043 20 0 GGADMN CSc1cc(Br)ccc1CN[C@@H]1CCN(C2CCOCC2)C1=O ZINC000631208175 566791186 /nfs/dbraw/zinc/79/11/86/566791186.db2.gz ONAMIHRFEXTVOT-OAHLLOKOSA-N 0 1 399.354 3.041 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000609871879 566791216 /nfs/dbraw/zinc/79/12/16/566791216.db2.gz PHYMPEMCYXDYQZ-JTQLQIEISA-N 0 1 381.837 3.251 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000451298054 566791263 /nfs/dbraw/zinc/79/12/63/566791263.db2.gz DJTMRULHLAZIJL-AWEZNQCLSA-N 0 1 380.526 3.267 20 0 GGADMN CCc1noc(CC)c1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451293445 566791728 /nfs/dbraw/zinc/79/17/28/566791728.db2.gz DUSCXPCPQQXJOK-UHFFFAOYSA-N 0 1 378.372 3.002 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000609871881 566792091 /nfs/dbraw/zinc/79/20/91/566792091.db2.gz PHYMPEMCYXDYQZ-SNVBAGLBSA-N 0 1 381.837 3.251 20 0 GGADMN c1nc([C@@H]2CCCO2)sc1CNCc1ccnc(N2CCSCC2)c1 ZINC000631241534 566792600 /nfs/dbraw/zinc/79/26/00/566792600.db2.gz WCHHEEUDNQKSRZ-INIZCTEOSA-N 0 1 376.551 3.233 20 0 GGADMN CCN(CC)c1ncc(CNCc2ccnc(N3CCSCC3)c2)s1 ZINC000631242960 566792692 /nfs/dbraw/zinc/79/26/92/566792692.db2.gz XVZDZGRVISNLFX-UHFFFAOYSA-N 0 1 377.583 3.227 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(Br)c1OC ZINC000516933064 566793017 /nfs/dbraw/zinc/79/30/17/566793017.db2.gz ORPKQQQZBABJGL-JVLSTEMRSA-N 0 1 384.270 3.151 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccccc3C)C2)c1Br ZINC000516944448 566793571 /nfs/dbraw/zinc/79/35/71/566793571.db2.gz CEEUBWXQOQXGSQ-AWEZNQCLSA-N 0 1 378.270 3.257 20 0 GGADMN CCc1c(NC(=O)[C@@H](CC)NC(C)=O)[nH]nc1-c1ccc(Br)cc1 ZINC000631243229 566793526 /nfs/dbraw/zinc/79/35/26/566793526.db2.gz WYEKBAWSRKCSIV-CQSZACIVSA-N 0 1 393.285 3.255 20 0 GGADMN CSc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cc1 ZINC000427755353 566794060 /nfs/dbraw/zinc/79/40/60/566794060.db2.gz FUQSLCSCDNWVLU-MRXNPFEDSA-N 0 1 376.547 3.480 20 0 GGADMN Cc1cnc(NS(=O)(=O)c2ccc(C)c(I)c2)s1 ZINC000427763449 566795839 /nfs/dbraw/zinc/79/58/39/566795839.db2.gz JRPBQWIHBQJTGP-UHFFFAOYSA-N 0 1 394.259 3.165 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000542366661 566795904 /nfs/dbraw/zinc/79/59/04/566795904.db2.gz JJCBRMVYYDSWMV-LLVKDONJSA-N 0 1 394.269 3.253 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000562497116 566795982 /nfs/dbraw/zinc/79/59/82/566795982.db2.gz YOKLERWCRASNIP-UHFFFAOYSA-N 0 1 387.292 3.256 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(C)C3)cc1OC ZINC000427773149 566796254 /nfs/dbraw/zinc/79/62/54/566796254.db2.gz YDBNZWNROPJICC-UHFFFAOYSA-N 0 1 382.869 3.103 20 0 GGADMN Cc1cc(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)ccc1Br ZINC000516983617 566796396 /nfs/dbraw/zinc/79/63/96/566796396.db2.gz FVGGGFICHJBWET-UHFFFAOYSA-N 0 1 394.269 3.185 20 0 GGADMN CSc1ccccc1S(=O)(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000427769246 566796570 /nfs/dbraw/zinc/79/65/70/566796570.db2.gz VILLGVYLZIIGFQ-INIZCTEOSA-N 0 1 376.547 3.480 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000581657828 566796611 /nfs/dbraw/zinc/79/66/11/566796611.db2.gz QKMWGDFMAPYGMI-LLVKDONJSA-N 0 1 381.325 3.107 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@](C)(N)c3ccc(Br)cc3)CC2)[nH]n1 ZINC000516968880 566796658 /nfs/dbraw/zinc/79/66/58/566796658.db2.gz DGRYXOQGUXEQDH-GOSISDBHSA-N 0 1 391.313 3.061 20 0 GGADMN COc1ccc(Br)c([C@H](CO)N(C)Cc2ccc3nc[nH]c3c2)c1 ZINC000562521782 566797778 /nfs/dbraw/zinc/79/77/78/566797778.db2.gz ZNTJRZCKUTZNNI-SFHVURJKSA-N 0 1 390.281 3.499 20 0 GGADMN COc1cnc(NS(=O)(=O)c2cc3ccccc3o2)c(Br)c1 ZINC000516992137 566798541 /nfs/dbraw/zinc/79/85/41/566798541.db2.gz BSIHWLSUMXPSHQ-UHFFFAOYSA-N 0 1 383.223 3.400 20 0 GGADMN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc2[nH]nnc2c1 ZINC000427790145 566798910 /nfs/dbraw/zinc/79/89/10/566798910.db2.gz QWNVJORIQNPXBQ-UHFFFAOYSA-N 0 1 395.282 3.071 20 0 GGADMN CC(=O)N(c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1)[C@H]1C[C@H]1C ZINC000562541683 566799026 /nfs/dbraw/zinc/79/90/26/566799026.db2.gz IMNUGHGLINURSC-DIFFPNOSSA-N 0 1 379.869 3.297 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@](C)(O)CSC)c1ccccc1Cl ZINC000610022285 566799035 /nfs/dbraw/zinc/79/90/35/566799035.db2.gz HTPKRKVJIIBXNN-AEFFLSMTSA-N 0 1 387.977 3.136 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000489625494 566799418 /nfs/dbraw/zinc/79/94/18/566799418.db2.gz ZSNJCPMBTMVGPY-UONOGXRCSA-N 0 1 386.323 3.418 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)o1 ZINC000678399226 566799680 /nfs/dbraw/zinc/79/96/80/566799680.db2.gz GEBKUDFJOHZOOJ-MRXNPFEDSA-N 0 1 395.297 3.347 20 0 GGADMN C[C@@H](N[C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)Nc1ncccn1 ZINC000581703093 566799742 /nfs/dbraw/zinc/79/97/42/566799742.db2.gz JUZHXGACBPKMAW-ABAIWWIYSA-N 0 1 389.297 3.479 20 0 GGADMN O=C1CC[C@H](CSc2nc(-c3ccc(Br)cc3)n[nH]2)CCN1 ZINC000562534845 566800013 /nfs/dbraw/zinc/80/00/13/566800013.db2.gz ALJUQMCTIZYABQ-JTQLQIEISA-N 0 1 381.299 3.243 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000427814284 566800326 /nfs/dbraw/zinc/80/03/26/566800326.db2.gz VSNRBGNEMKZMOA-ZDUSSCGKSA-N 0 1 394.301 3.389 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000610032893 566800861 /nfs/dbraw/zinc/80/08/61/566800861.db2.gz SQLLCSBNRCZALK-UHFFFAOYSA-N 0 1 384.454 3.075 20 0 GGADMN CC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1c(C)noc1C ZINC000451341767 566800877 /nfs/dbraw/zinc/80/08/77/566800877.db2.gz LTJSCFOQOWGVIY-LLVKDONJSA-N 0 1 378.372 3.445 20 0 GGADMN Clc1ccccc1[C@H](CNCc1nc2c(s1)CCC2)N1CCOCC1 ZINC000678497008 566802529 /nfs/dbraw/zinc/80/25/29/566802529.db2.gz FDYGLKDPVAFDCB-KRWDZBQOSA-N 0 1 377.941 3.448 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C=C[C@@H]4CCOC4)n3)n2)c1 ZINC000562563110 566802648 /nfs/dbraw/zinc/80/26/48/566802648.db2.gz IUHNBQKHGRUQKK-ORAHPGNNSA-N 0 1 388.225 3.334 20 0 GGADMN Clc1cccc([C@@H](CNCc2nc3c(s2)CCC3)N2CCOCC2)c1 ZINC000678496647 566802650 /nfs/dbraw/zinc/80/26/50/566802650.db2.gz YMFHIHFCABEMJL-QGZVFWFLSA-N 0 1 377.941 3.448 20 0 GGADMN COc1ccc(C[C@@H](CO)CN[C@@H](C)c2cscn2)cc1Br ZINC000562569045 566802863 /nfs/dbraw/zinc/80/28/63/566802863.db2.gz CBJLRFZORAPUSJ-WCQYABFASA-N 0 1 385.327 3.416 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1Br ZINC000542466196 566803113 /nfs/dbraw/zinc/80/31/13/566803113.db2.gz QWEOGWARSRFCQI-LLVKDONJSA-N 0 1 390.690 3.182 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1Br ZINC000542466197 566803343 /nfs/dbraw/zinc/80/33/43/566803343.db2.gz QWEOGWARSRFCQI-NSHDSACASA-N 0 1 390.690 3.182 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cccc3c(Cl)ccnc32)n[nH]1 ZINC000451359255 566803499 /nfs/dbraw/zinc/80/34/99/566803499.db2.gz WBMZYUKNCJWNTD-SNVBAGLBSA-N 0 1 379.873 3.169 20 0 GGADMN Cc1ccncc1[C@H](C)NCCS(=O)(=O)c1ccc(Br)cc1 ZINC000678544582 566803965 /nfs/dbraw/zinc/80/39/65/566803965.db2.gz RFTGOPBZGHBCHC-ZDUSSCGKSA-N 0 1 383.311 3.277 20 0 GGADMN Clc1ccc([C@@H](CNCc2nc3c(s2)CCC3)N2CCOCC2)cc1 ZINC000678499969 566804310 /nfs/dbraw/zinc/80/43/10/566804310.db2.gz YETWHQBWAUCFAE-QGZVFWFLSA-N 0 1 377.941 3.448 20 0 GGADMN Brc1cncc(Br)c1CN[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000581757890 566805726 /nfs/dbraw/zinc/80/57/26/566805726.db2.gz HBSRIEADUVPRNZ-ZEGGKSINSA-N 0 1 376.092 3.264 20 0 GGADMN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000427952967 566806474 /nfs/dbraw/zinc/80/64/74/566806474.db2.gz UVHZJVCEUCZYLK-QMMMGPOBSA-N 0 1 387.702 3.037 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)CN2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000542506743 566806845 /nfs/dbraw/zinc/80/68/45/566806845.db2.gz PBZKPFPGGCJDCJ-ZIAGYGMSSA-N 0 1 381.822 3.431 20 0 GGADMN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000427952966 566806843 /nfs/dbraw/zinc/80/68/43/566806843.db2.gz UVHZJVCEUCZYLK-MRVPVSSYSA-N 0 1 387.702 3.037 20 0 GGADMN COc1ccc([C@H](C)N[C@@H](CCSC)C(=O)N(C)C)cc1Br ZINC000489762185 566808361 /nfs/dbraw/zinc/80/83/61/566808361.db2.gz CAJLMOZWQQTBBG-FZMZJTMJSA-N 0 1 389.359 3.318 20 0 GGADMN COc1cc2c(cc1C[N@@H+](C)CCn1cc(Br)cn1)O[C@H](C)C2 ZINC000581852141 566808579 /nfs/dbraw/zinc/80/85/79/566808579.db2.gz STMYXLPTTJPQFV-GFCCVEGCSA-N 0 1 380.286 3.110 20 0 GGADMN COc1cc2c(cc1CN(C)CCn1cc(Br)cn1)O[C@H](C)C2 ZINC000581852141 566808581 /nfs/dbraw/zinc/80/85/81/566808581.db2.gz STMYXLPTTJPQFV-GFCCVEGCSA-N 0 1 380.286 3.110 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1cc(C)[nH]n1 ZINC000678633498 566808930 /nfs/dbraw/zinc/80/89/30/566808930.db2.gz LXNCKWKHGSXVOC-ABAIWWIYSA-N 0 1 381.274 3.056 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000517176588 566809163 /nfs/dbraw/zinc/80/91/63/566809163.db2.gz CWGQHICWVNTYIB-QGZVFWFLSA-N 0 1 379.913 3.204 20 0 GGADMN C[C@@H]1CC(CCN[C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000517182125 566809257 /nfs/dbraw/zinc/80/92/57/566809257.db2.gz LEJKZENDOHXROH-GLKRBJQHSA-N 0 1 387.293 3.298 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@H]1CC12CCSCC2 ZINC000562645656 566810527 /nfs/dbraw/zinc/81/05/27/566810527.db2.gz ZTRXEFDSNPWSLM-SNVBAGLBSA-N 0 1 380.311 3.475 20 0 GGADMN C[C@H](CN(C)[C@@H](C)C(=O)NC[C@H]1CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739229 566810620 /nfs/dbraw/zinc/81/06/20/566810620.db2.gz GTCNTJLYZUUTCE-VNHYZAJKSA-N 0 1 389.323 3.376 20 0 GGADMN C[C@H](C(=O)Nc1ccc(I)cc1)N1CCC(CF)CC1 ZINC000451393708 566810780 /nfs/dbraw/zinc/81/07/80/566810780.db2.gz NBGUBHUYVKLJOO-LLVKDONJSA-N 0 1 390.240 3.300 20 0 GGADMN COC(=O)C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000542531520 566810807 /nfs/dbraw/zinc/81/08/07/566810807.db2.gz DJFBCSYCGCTZDT-NVXWUHKLSA-N 0 1 397.313 3.077 20 0 GGADMN COC(=O)C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000542534127 566810887 /nfs/dbraw/zinc/81/08/87/566810887.db2.gz YAIITXFWGMGWAA-NVXWUHKLSA-N 0 1 397.313 3.077 20 0 GGADMN C[C@H](CN(C)[C@@H](C)C(=O)NC[C@@H]1CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739226 566811290 /nfs/dbraw/zinc/81/12/90/566811290.db2.gz GTCNTJLYZUUTCE-IPYPFGDCSA-N 0 1 389.323 3.376 20 0 GGADMN C[C@H](CN(C)[C@H](C)C(=O)NC[C@@H]1CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739227 566811471 /nfs/dbraw/zinc/81/14/71/566811471.db2.gz GTCNTJLYZUUTCE-NFAWXSAZSA-N 0 1 389.323 3.376 20 0 GGADMN CC[C@H](NCC(=O)NCCCN1CCCCCC1=O)c1ccc(Cl)s1 ZINC000542558078 566811611 /nfs/dbraw/zinc/81/16/11/566811611.db2.gz ACOJCUINRRSVGV-AWEZNQCLSA-N 0 1 385.961 3.351 20 0 GGADMN CCn1nnc(C)c1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000562659602 566811815 /nfs/dbraw/zinc/81/18/15/566811815.db2.gz SPRQJRRDCKHGQW-UHFFFAOYSA-N 0 1 379.302 3.164 20 0 GGADMN C[C@@H]1OCC[C@]12CN(C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000517215529 566813077 /nfs/dbraw/zinc/81/30/77/566813077.db2.gz CJVUITZIVIDRHG-SDCOAXJVSA-N 0 1 390.307 3.001 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H]3CCCN(C(C)C)C3)cc2)n1 ZINC000655556877 566813140 /nfs/dbraw/zinc/81/31/40/566813140.db2.gz PBGJMDHSSTYXMY-MRXNPFEDSA-N 0 1 379.551 3.270 20 0 GGADMN CN(C)C(=O)C1(NCc2nc3ccc(Br)cc3n2C)CCCCC1 ZINC000451410302 566813504 /nfs/dbraw/zinc/81/35/04/566813504.db2.gz JLTGHDFVKZGBSX-UHFFFAOYSA-N 0 1 393.329 3.217 20 0 GGADMN CSc1ccc(OC[C@H](O)CN2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000562701138 566813856 /nfs/dbraw/zinc/81/38/56/566813856.db2.gz CFBRTZZCMMNGKH-HIFRSBDPSA-N 0 1 379.444 3.192 20 0 GGADMN C[C@H](NC[C@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000562703262 566813916 /nfs/dbraw/zinc/81/39/16/566813916.db2.gz DXQQGJLJWWDQMO-NWDGAFQWSA-N 0 1 393.285 3.066 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000469788910 566813994 /nfs/dbraw/zinc/81/39/94/566813994.db2.gz WFQQWGQVFRYOOY-SNVBAGLBSA-N 0 1 382.247 3.464 20 0 GGADMN OCC[C@H](NCCOCC(F)(F)C(F)F)c1ccccc1Br ZINC000469793897 566814566 /nfs/dbraw/zinc/81/45/66/566814566.db2.gz KGLOJTVCYQNJIO-LBPRGKRZSA-N 0 1 388.199 3.379 20 0 GGADMN COc1ccncc1CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000517242383 566814546 /nfs/dbraw/zinc/81/45/46/566814546.db2.gz SIRIAWOEGRVDME-LBPRGKRZSA-N 0 1 378.270 3.360 20 0 GGADMN CSCC[C@H](N[C@@H](C)c1ccc(F)c(Br)c1)C(=O)N(C)C ZINC000489880729 566814675 /nfs/dbraw/zinc/81/46/75/566814675.db2.gz DPULCOTWVWRLFH-HZMBPMFUSA-N 0 1 377.323 3.449 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000542646974 566814958 /nfs/dbraw/zinc/81/49/58/566814958.db2.gz WBYCCTBMUUNPQH-NEPJUHHUSA-N 0 1 387.265 3.156 20 0 GGADMN CC(=O)c1ccc(OC[C@H](O)CNCc2cc(Br)ccc2F)cc1 ZINC000517255689 566815513 /nfs/dbraw/zinc/81/55/13/566815513.db2.gz STDWENXPVSGURI-MRXNPFEDSA-N 0 1 396.256 3.320 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C1 ZINC000542650751 566815424 /nfs/dbraw/zinc/81/54/24/566815424.db2.gz UKURJSVJAIRZHM-UHFFFAOYSA-N 0 1 395.326 3.274 20 0 GGADMN CC1=CCN(CCNC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000469799664 566815711 /nfs/dbraw/zinc/81/57/11/566815711.db2.gz PZDKRPSOSROOHM-UHFFFAOYSA-N 0 1 379.298 3.156 20 0 GGADMN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1n[nH]c2ccc(Cl)cc21 ZINC000517251197 566816506 /nfs/dbraw/zinc/81/65/06/566816506.db2.gz KGXJPECFVRPZQJ-NSHDSACASA-N 0 1 376.247 3.273 20 0 GGADMN FC(F)(F)[C@H](CN[C@@H]1CCc2c1cccc2Br)n1cncn1 ZINC000631689541 566816720 /nfs/dbraw/zinc/81/67/20/566816720.db2.gz UAIVHDFTGQOZJZ-OLZOCXBDSA-N 0 1 375.192 3.421 20 0 GGADMN Cc1cc(I)ccc1NC(=O)c1conc1C(C)(C)N ZINC000581953859 566816976 /nfs/dbraw/zinc/81/69/76/566816976.db2.gz AOZWOWWENMXVSQ-UHFFFAOYSA-N 0 1 385.205 3.034 20 0 GGADMN CC[C@@H](NCc1cncc(Br)c1)c1ccccc1OCC(=O)NC ZINC000678747134 566817354 /nfs/dbraw/zinc/81/73/54/566817354.db2.gz PVVYVOSEWWWCMH-MRXNPFEDSA-N 0 1 392.297 3.210 20 0 GGADMN CC[C@H](NCc1cncc(Br)c1)c1ccccc1OCC(=O)NC ZINC000678747132 566817495 /nfs/dbraw/zinc/81/74/95/566817495.db2.gz PVVYVOSEWWWCMH-INIZCTEOSA-N 0 1 392.297 3.210 20 0 GGADMN CC[C@H]1Cc2c(Br)cccc2CN1C[C@@H](O)COC1CCOCC1 ZINC000517275206 566817614 /nfs/dbraw/zinc/81/76/14/566817614.db2.gz GAXBCLSGZQNFJZ-JKSUJKDBSA-N 0 1 398.341 3.142 20 0 GGADMN O=C(CNC1(c2ccccc2Br)CCCCC1)NC1CCOCC1 ZINC000562735569 566819200 /nfs/dbraw/zinc/81/92/00/566819200.db2.gz HDQSLTLPTKSFOO-UHFFFAOYSA-N 0 1 395.341 3.493 20 0 GGADMN COc1ccc(Br)c([C@H](CO)N(C)CCCc2ccncc2)c1 ZINC000451452663 566819915 /nfs/dbraw/zinc/81/99/15/566819915.db2.gz FSEKQHQEJLDNSO-SFHVURJKSA-N 0 1 379.298 3.451 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3O)ccc2[nH]1 ZINC000542720635 566820154 /nfs/dbraw/zinc/82/01/54/566820154.db2.gz BSLJQMSHSLVGHA-UHFFFAOYSA-N 0 1 385.228 3.341 20 0 GGADMN Cc1nocc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631728503 566820488 /nfs/dbraw/zinc/82/04/88/566820488.db2.gz QUDIJSXAGVRPQG-YUMQZZPRSA-N 0 1 380.310 3.171 20 0 GGADMN O=C(NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc(Br)c1O ZINC000581975645 566820552 /nfs/dbraw/zinc/82/05/52/566820552.db2.gz PJEJVUDVTRFPHQ-KBXCAEBGSA-N 0 1 376.250 3.051 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000517353399 566820916 /nfs/dbraw/zinc/82/09/16/566820916.db2.gz NLFPRFAMGLLXTP-CHWSQXEVSA-N 0 1 390.380 3.226 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000631721628 566820852 /nfs/dbraw/zinc/82/08/52/566820852.db2.gz ZGLAWVJGNNJTAC-HWWQOWPSSA-N 0 1 379.444 3.365 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000517353403 566820962 /nfs/dbraw/zinc/82/09/62/566820962.db2.gz NLFPRFAMGLLXTP-OLZOCXBDSA-N 0 1 390.380 3.226 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@H]3CCN(C(C)C)C3)cc2)n1 ZINC000655606205 566821070 /nfs/dbraw/zinc/82/10/70/566821070.db2.gz LQVVKYIMNBKANM-INIZCTEOSA-N 0 1 379.551 3.222 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)cn1 ZINC000542729621 566821383 /nfs/dbraw/zinc/82/13/83/566821383.db2.gz SSDWVWUPTKFLDG-UHFFFAOYSA-N 0 1 378.841 3.120 20 0 GGADMN COC(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H]1C ZINC000469862404 566821496 /nfs/dbraw/zinc/82/14/96/566821496.db2.gz NTRZASOGUDNULL-UUIJZJDISA-N 0 1 387.307 3.443 20 0 GGADMN Cc1ncsc1CC[N@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000582009069 566821617 /nfs/dbraw/zinc/82/16/17/566821617.db2.gz PVYZSSDVPWUGJQ-AWEZNQCLSA-N 0 1 381.295 3.268 20 0 GGADMN Cc1ncsc1CC[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000582009070 566821875 /nfs/dbraw/zinc/82/18/75/566821875.db2.gz PVYZSSDVPWUGJQ-CQSZACIVSA-N 0 1 381.295 3.268 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000542737756 566822081 /nfs/dbraw/zinc/82/20/81/566822081.db2.gz JWPKFNCYQJKXAE-NWDGAFQWSA-N 0 1 382.295 3.157 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCN1C ZINC000542737762 566822673 /nfs/dbraw/zinc/82/26/73/566822673.db2.gz JWPKFNCYQJKXAE-VXGBXAGGSA-N 0 1 382.295 3.157 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@H]1CSc2ccc(Br)cc21 ZINC000428183896 566823872 /nfs/dbraw/zinc/82/38/72/566823872.db2.gz IETBBTNKNVJAOU-ZDUSSCGKSA-N 0 1 381.299 3.243 20 0 GGADMN Cn1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)n1 ZINC000542755443 566824250 /nfs/dbraw/zinc/82/42/50/566824250.db2.gz KDGWQHSDADNWGS-UHFFFAOYSA-N 0 1 385.070 3.290 20 0 GGADMN COCCN1CC[C@H](NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000517401085 566824390 /nfs/dbraw/zinc/82/43/90/566824390.db2.gz 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566825371 /nfs/dbraw/zinc/82/53/71/566825371.db2.gz WGFHIYHWCNIMTJ-UHFFFAOYSA-N 0 1 378.523 3.256 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(CSC3CCOCC3)c2)n1 ZINC000469894446 566825376 /nfs/dbraw/zinc/82/53/76/566825376.db2.gz WGFHIYHWCNIMTJ-UHFFFAOYSA-N 0 1 378.523 3.256 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cscc1Br ZINC000631785577 566825550 /nfs/dbraw/zinc/82/55/50/566825550.db2.gz JAIMSPLFRFWKNG-UHFFFAOYSA-N 0 1 395.388 3.252 20 0 GGADMN C[C@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1nnc[nH]1 ZINC000542775216 566826082 /nfs/dbraw/zinc/82/60/82/566826082.db2.gz IZZQVPUZTCDUPG-HZMBPMFUSA-N 0 1 378.274 3.469 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000517416141 566826124 /nfs/dbraw/zinc/82/61/24/566826124.db2.gz NFLJLJWTOVRFTB-HOTGVXAUSA-N 0 1 377.286 3.269 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)c1nnc[nH]1 ZINC000542775217 566826166 /nfs/dbraw/zinc/82/61/66/566826166.db2.gz IZZQVPUZTCDUPG-IINYFYTJSA-N 0 1 378.274 3.469 20 0 GGADMN CNC(=O)CN(CCOc1ccc2cc(Br)ccc2c1)C(C)C ZINC000428255271 566827190 /nfs/dbraw/zinc/82/71/90/566827190.db2.gz XJSATEFNWYAWMS-UHFFFAOYSA-N 0 1 379.298 3.438 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000678973421 566827798 /nfs/dbraw/zinc/82/77/98/566827798.db2.gz QEMTVAALKZOMTR-UHFFFAOYSA-N 0 1 377.476 3.109 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(Br)cnc1OCC1CC1 ZINC000562857499 566828417 /nfs/dbraw/zinc/82/84/17/566828417.db2.gz PRIBZIMTJQPLSY-AWEZNQCLSA-N 0 1 391.269 3.163 20 0 GGADMN C[C@@H](C(=O)NCCOc1c(Cl)cc(Br)cc1Cl)N(C)C ZINC000678994544 566828759 /nfs/dbraw/zinc/82/87/59/566828759.db2.gz SFQRKXHJFBLCAU-QMMMGPOBSA-N 0 1 384.101 3.201 20 0 GGADMN C[C@H](C[S@](C)=O)N(C)Cc1cc(Br)cc(Br)c1 ZINC000582089794 566829660 /nfs/dbraw/zinc/82/96/60/566829660.db2.gz WSHLEDSUPPPDGY-XLFHBGCDSA-N 0 1 383.149 3.410 20 0 GGADMN O=S(=O)(C[C@@H]1CCC(F)(F)C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000631847577 566830382 /nfs/dbraw/zinc/83/03/82/566830382.db2.gz XOLOWRONYYBXMO-CABCVRRESA-N 0 1 392.537 3.315 20 0 GGADMN Cc1noc(C2(C)CCN(C(=O)c3cccc(Br)c3O)CC2)n1 ZINC000542830888 566830985 /nfs/dbraw/zinc/83/09/85/566830985.db2.gz SETGUCIRSNZQDJ-UHFFFAOYSA-N 0 1 380.242 3.040 20 0 GGADMN COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1n[nH]c(C(C)C)n1 ZINC000428291285 566830997 /nfs/dbraw/zinc/83/09/97/566830997.db2.gz QKPBHBJTQJAYMW-AWEZNQCLSA-N 0 1 381.274 3.037 20 0 GGADMN O=S(=O)(C[C@@H]1CCC(F)(F)C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000631847579 566831118 /nfs/dbraw/zinc/83/11/18/566831118.db2.gz XOLOWRONYYBXMO-HUUCEWRRSA-N 0 1 392.537 3.315 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000490123443 566831601 /nfs/dbraw/zinc/83/16/01/566831601.db2.gz BXPRXMJEKXPEFX-IHRRRGAJSA-N 0 1 388.339 3.021 20 0 GGADMN CCO[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000451523387 566831927 /nfs/dbraw/zinc/83/19/27/566831927.db2.gz JIIALDRWRDITQX-JJRVBVJISA-N 0 1 383.330 3.373 20 0 GGADMN C[C@@H]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000469975907 566833067 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CCO[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000451535894 566833753 /nfs/dbraw/zinc/83/37/53/566833753.db2.gz ZCVKPJMGTBNMGW-RHSMWYFYSA-N 0 1 383.330 3.154 20 0 GGADMN C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000679063810 566833604 /nfs/dbraw/zinc/83/36/04/566833604.db2.gz GUIIGKRATAFPSN-OHUAYANFSA-N 0 1 395.276 3.166 20 0 GGADMN O=S(=O)(NCc1cc(F)cc2c1OCOC2)c1c(Cl)ccc(F)c1F ZINC000517603629 566833885 /nfs/dbraw/zinc/83/38/85/566833885.db2.gz IAQGZPXMBYSNDT-UHFFFAOYSA-N 0 1 393.770 3.102 20 0 GGADMN CCO[C@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000451535896 566833948 /nfs/dbraw/zinc/83/39/48/566833948.db2.gz ZCVKPJMGTBNMGW-YOEHRIQHSA-N 0 1 383.330 3.154 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655668456 566833934 /nfs/dbraw/zinc/83/39/34/566833934.db2.gz FDHAMKHBCAXUPC-JKSUJKDBSA-N 0 1 377.337 3.430 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655668454 566834366 /nfs/dbraw/zinc/83/43/66/566834366.db2.gz FDHAMKHBCAXUPC-HZPDHXFCSA-N 0 1 377.337 3.430 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655670265 566834961 /nfs/dbraw/zinc/83/49/61/566834961.db2.gz XDHZVPRRINYGDP-JKSUJKDBSA-N 0 1 376.444 3.142 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)c(F)c1 ZINC000679066954 566835525 /nfs/dbraw/zinc/83/55/25/566835525.db2.gz PVCIVZFHJSULIZ-MMPTUQATSA-N 0 1 395.276 3.166 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@@H]1C ZINC000470007038 566837004 /nfs/dbraw/zinc/83/70/04/566837004.db2.gz XSDRZWFYVQGPPI-BXUZGUMPSA-N 0 1 379.254 3.488 20 0 GGADMN C[S@@](=O)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000517638530 566837281 /nfs/dbraw/zinc/83/72/81/566837281.db2.gz YGGGPVSFFLNZON-HSZRJFAPSA-N 0 1 379.381 3.123 20 0 GGADMN COC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000470002474 566837457 /nfs/dbraw/zinc/83/74/57/566837457.db2.gz JOPVUGNJNBEBLH-FTLABTOESA-N 0 1 387.307 3.444 20 0 GGADMN COC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000470002476 566837765 /nfs/dbraw/zinc/83/77/65/566837765.db2.gz JOPVUGNJNBEBLH-OAVHHTNSSA-N 0 1 387.307 3.444 20 0 GGADMN CO[C@H]1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1(C)C ZINC000451551555 566837862 /nfs/dbraw/zinc/83/78/62/566837862.db2.gz LLAWMSRKSWNSDQ-CJNGLKHVSA-N 0 1 383.330 3.373 20 0 GGADMN CCOC(=O)CN(Cc1n[nH]c(C)n1)[C@@H](C)c1cccc(Br)c1 ZINC000428393887 566838360 /nfs/dbraw/zinc/83/83/60/566838360.db2.gz QGYBLDIUYXDBKJ-NSHDSACASA-N 0 1 381.274 3.002 20 0 GGADMN CCN([C@H]1CCOC(C)(C)C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451561743 566838359 /nfs/dbraw/zinc/83/83/59/566838359.db2.gz HEYATUCMPCUFCY-LBPRGKRZSA-N 0 1 381.416 3.379 20 0 GGADMN COCCN(Cc1ccc(C)o1)C[C@H](O)COc1ccc(Br)cc1 ZINC000470013376 566838560 /nfs/dbraw/zinc/83/85/60/566838560.db2.gz XEFVGNLLSLXEKJ-INIZCTEOSA-N 0 1 398.297 3.239 20 0 GGADMN CC[C@H](C)NC(=O)[C@H](C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655720946 566838663 /nfs/dbraw/zinc/83/86/63/566838663.db2.gz JPQGAAWLAFYMFU-JSGCOSHPSA-N 0 1 393.329 3.336 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3cc(Br)co3)cc2)CC1 ZINC000562971694 566839035 /nfs/dbraw/zinc/83/90/35/566839035.db2.gz UJDCYOMNVSAYAW-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCc2[nH]nnc2C1 ZINC000542920226 566839396 /nfs/dbraw/zinc/83/93/96/566839396.db2.gz WFIGZGUKTCMMKC-UHFFFAOYSA-N 0 1 378.219 3.273 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)s1 ZINC000679204360 566840249 /nfs/dbraw/zinc/84/02/49/566840249.db2.gz GKUGSGIHKKDWPF-UHFFFAOYSA-N 0 1 395.293 3.221 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000490257161 566840501 /nfs/dbraw/zinc/84/05/01/566840501.db2.gz XFIWZQOAZNPWRF-XEZPLFJOSA-N 0 1 383.355 3.482 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@H]1CCN(C(C)C)C1=O ZINC000655737101 566840779 /nfs/dbraw/zinc/84/07/79/566840779.db2.gz VBOAKXCMHMYSFW-INIZCTEOSA-N 0 1 391.313 3.042 20 0 GGADMN O[C@@H](COCc1ccco1)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570349 566841047 /nfs/dbraw/zinc/84/10/47/566841047.db2.gz PUUAXZZOWJFFMS-NVXWUHKLSA-N 0 1 380.282 3.409 20 0 GGADMN COCCN1CCCN(C(=O)c2oc3c(cccc3Br)c2C)CC1 ZINC000542951569 566841076 /nfs/dbraw/zinc/84/10/76/566841076.db2.gz GZIPJSKNIKBHMC-UHFFFAOYSA-N 0 1 395.297 3.298 20 0 GGADMN O[C@@H](COCc1ccco1)CN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570348 566841074 /nfs/dbraw/zinc/84/10/74/566841074.db2.gz PUUAXZZOWJFFMS-DOTOQJQBSA-N 0 1 380.282 3.409 20 0 GGADMN Cc1nc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(-c2ccccc2)s1 ZINC000632025721 566841310 /nfs/dbraw/zinc/84/13/10/566841310.db2.gz PLBOCORHRRNMRU-BBRMVZONSA-N 0 1 379.551 3.079 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H](C)C(=O)NC(C)(C)C ZINC000655721870 566841444 /nfs/dbraw/zinc/84/14/44/566841444.db2.gz SEZOUPWMWONZEU-ZDUSSCGKSA-N 0 1 393.329 3.336 20 0 GGADMN OCC1(NCc2nc(-c3cccc(Br)c3)c[nH]2)CCSCC1 ZINC000517703927 566841756 /nfs/dbraw/zinc/84/17/56/566841756.db2.gz XMZURRKFFLMUNV-UHFFFAOYSA-N 0 1 382.327 3.187 20 0 GGADMN Cc1nc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(-c2ccccc2)s1 ZINC000632025724 566842040 /nfs/dbraw/zinc/84/20/40/566842040.db2.gz PLBOCORHRRNMRU-XJKSGUPXSA-N 0 1 379.551 3.079 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)c(Br)c1 ZINC000428411044 566842063 /nfs/dbraw/zinc/84/20/63/566842063.db2.gz QTBFTJQXTDRWKR-GFCCVEGCSA-N 0 1 390.690 3.182 20 0 GGADMN Cc1ccc2nc(CNC[C@H](O)COc3cc(Cl)ccc3Cl)cn2c1 ZINC000562987208 566842143 /nfs/dbraw/zinc/84/21/43/566842143.db2.gz QVDDDFAPZIIGRK-HNNXBMFYSA-N 0 1 380.275 3.479 20 0 GGADMN C[C@H](CO)N1CCCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000470061460 566842261 /nfs/dbraw/zinc/84/22/61/566842261.db2.gz JLRKDFLEPWYOEL-CQSZACIVSA-N 0 1 385.335 3.330 20 0 GGADMN O[C@H](COCc1ccco1)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570351 566842366 /nfs/dbraw/zinc/84/23/66/566842366.db2.gz PUUAXZZOWJFFMS-WBVHZDCISA-N 0 1 380.282 3.409 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000655742355 566842468 /nfs/dbraw/zinc/84/24/68/566842468.db2.gz QTLSSECSNYJQJW-OAHLLOKOSA-N 0 1 391.313 3.042 20 0 GGADMN COCc1nc2n(n1)C[C@@H](NCc1oc3ccccc3c1Br)CC2 ZINC000655748586 566842540 /nfs/dbraw/zinc/84/25/40/566842540.db2.gz CZVWZAKIKUVJCS-NSHDSACASA-N 0 1 391.269 3.038 20 0 GGADMN C[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542971275 566842751 /nfs/dbraw/zinc/84/27/51/566842751.db2.gz UDKGPZKIDULNLN-HWRSSNJWSA-N 0 1 378.925 3.087 20 0 GGADMN CNC(=O)[C@H](CC(C)C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655750898 566843640 /nfs/dbraw/zinc/84/36/40/566843640.db2.gz GJCWHTDDXYPJSO-INIZCTEOSA-N 0 1 393.329 3.194 20 0 GGADMN O=c1cc(CN2CC[C@@H](c3cccc(Br)c3)C2)nc2ccccn12 ZINC000451573191 566843818 /nfs/dbraw/zinc/84/38/18/566843818.db2.gz TWJFOUQYPQWOKU-OAHLLOKOSA-N 0 1 384.277 3.447 20 0 GGADMN CN(C)S(=O)(=O)CCNCc1ccc(-c2ccccc2Br)cc1 ZINC000517725966 566844014 /nfs/dbraw/zinc/84/40/14/566844014.db2.gz ATJGADVRFSNERF-UHFFFAOYSA-N 0 1 397.338 3.097 20 0 GGADMN O=C(N[C@H](CO)c1cccc(Cl)c1F)c1cccc(Br)c1O ZINC000517750687 566844883 /nfs/dbraw/zinc/84/48/83/566844883.db2.gz CPDDUHPJWVULAD-GFCCVEGCSA-N 0 1 388.620 3.411 20 0 GGADMN CN(CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)cc1Cl ZINC000610580683 566845104 /nfs/dbraw/zinc/84/51/04/566845104.db2.gz FVSVANJHWDSLBJ-UHFFFAOYSA-N 0 1 386.201 3.203 20 0 GGADMN OC[C@H]([C@@H](NCc1nc(-c2cccc(Br)c2)no1)C1CC1)C1CC1 ZINC000451585760 566845595 /nfs/dbraw/zinc/84/55/95/566845595.db2.gz DYEMTKGJJFLUMB-RDJZCZTQSA-N 0 1 392.297 3.386 20 0 GGADMN CCc1nc([C@H](C)NCc2cn(-c3cccc(Br)c3)nc2C)n[nH]1 ZINC000655753798 566845877 /nfs/dbraw/zinc/84/58/77/566845877.db2.gz FKSNNDVEUDLAOB-LBPRGKRZSA-N 0 1 389.301 3.475 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H](CO)CC(F)(F)F ZINC000655751972 566845952 /nfs/dbraw/zinc/84/59/52/566845952.db2.gz SXNIPZMVNWOCCW-GFCCVEGCSA-N 0 1 392.219 3.346 20 0 GGADMN CNC(=O)[C@H](CC(C)C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655751936 566845979 /nfs/dbraw/zinc/84/59/79/566845979.db2.gz RQHMFYYGMVFHJD-KRWDZBQOSA-N 0 1 393.329 3.194 20 0 GGADMN COCCn1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)c(C)n1 ZINC000543034235 566846868 /nfs/dbraw/zinc/84/68/68/566846868.db2.gz YEIYTIQPBDZNHI-UHFFFAOYSA-N 0 1 388.649 3.212 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000563033603 566846747 /nfs/dbraw/zinc/84/67/47/566846747.db2.gz OKGAIMOBRNCKKF-SECBINFHSA-N 0 1 396.264 3.014 20 0 GGADMN COc1nc(N2CCN(CCCc3ccsc3)CC2)ncc1Br ZINC000543033252 566846957 /nfs/dbraw/zinc/84/69/57/566846957.db2.gz MNVZBXWDFHOABW-UHFFFAOYSA-N 0 1 397.342 3.064 20 0 GGADMN O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1ccc(Br)c(O)c1 ZINC000490404039 566846910 /nfs/dbraw/zinc/84/69/10/566846910.db2.gz YSCBUHXPJKUZNG-UHFFFAOYSA-N 0 1 394.175 3.497 20 0 GGADMN OC[C@@H]([C@@H](NCc1nc(-c2ccc(Br)s2)no1)C1CC1)C1CC1 ZINC000451593324 566847076 /nfs/dbraw/zinc/84/70/76/566847076.db2.gz ATRUNNVSFLRJDW-ABAIWWIYSA-N 0 1 398.326 3.447 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H](C)C(=O)N1CCCC1 ZINC000655769191 566847491 /nfs/dbraw/zinc/84/74/91/566847491.db2.gz DXPZPHBGHBMDCZ-AWEZNQCLSA-N 0 1 391.313 3.044 20 0 GGADMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1c[nH]nn1)CCCC2 ZINC000490394393 566847503 /nfs/dbraw/zinc/84/75/03/566847503.db2.gz KFKOYHOTLKPRIB-SECBINFHSA-N 0 1 380.495 3.041 20 0 GGADMN CC(C)(CO)N1CCN(CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000679318706 566847580 /nfs/dbraw/zinc/84/75/80/566847580.db2.gz UKHILQMSWQZJRK-UHFFFAOYSA-N 0 1 379.957 3.369 20 0 GGADMN COC[C@@H](NCc1cn(-c2ccccc2Br)nc1C)[C@@H]1CCCO1 ZINC000655768740 566847639 /nfs/dbraw/zinc/84/76/39/566847639.db2.gz NWZSGVBNYQRNTL-AEFFLSMTSA-N 0 1 394.313 3.227 20 0 GGADMN CC(C)O[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000563049792 566847750 /nfs/dbraw/zinc/84/77/50/566847750.db2.gz NYEPWRBKEMZTEE-LLVKDONJSA-N 0 1 381.274 3.034 20 0 GGADMN COC[C@@H](NCc1cn(-c2cccc(Br)c2)nc1C)[C@@H]1CCCO1 ZINC000655769157 566848084 /nfs/dbraw/zinc/84/80/84/566848084.db2.gz WQXPWTXEJQLANK-MSOLQXFVSA-N 0 1 394.313 3.227 20 0 GGADMN COc1ccsc1CN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000428484554 566848423 /nfs/dbraw/zinc/84/84/23/566848423.db2.gz PBTNWPGLTUDKPS-CQSZACIVSA-N 0 1 380.535 3.490 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000490423477 566848556 /nfs/dbraw/zinc/84/85/56/566848556.db2.gz PCOJPPAGXCCXNL-GFCCVEGCSA-N 0 1 377.337 3.488 20 0 GGADMN CC(C)(N)c1noc(CN2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000582301915 566848607 /nfs/dbraw/zinc/84/86/07/566848607.db2.gz FOQWNLMBJMMDJJ-UHFFFAOYSA-N 0 1 379.302 3.406 20 0 GGADMN Fc1cc(Br)cc2c1CC[C@@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655796382 566848834 /nfs/dbraw/zinc/84/88/34/566848834.db2.gz HEMRMHVJUGDEML-KBPBESRZSA-N 0 1 381.249 3.335 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CCN1C ZINC000563053454 566849098 /nfs/dbraw/zinc/84/90/98/566849098.db2.gz UYWQNRMVYQGPMC-ZWNOBZJWSA-N 0 1 395.750 3.005 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)N(C)C1CC1 ZINC000490425339 566849208 /nfs/dbraw/zinc/84/92/08/566849208.db2.gz KWFUESOAUWJONE-ZDUSSCGKSA-N 0 1 386.945 3.280 20 0 GGADMN Fc1cc(Br)cc2c1CC[C@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655796383 566849275 /nfs/dbraw/zinc/84/92/75/566849275.db2.gz HEMRMHVJUGDEML-KGLIPLIRSA-N 0 1 381.249 3.335 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000490416191 566849407 /nfs/dbraw/zinc/84/94/07/566849407.db2.gz BSYKNMCHXSYXGN-CYBMUJFWSA-N 0 1 376.444 3.200 20 0 GGADMN COCCOC1(CNCc2oc3ccccc3c2Br)CCOCC1 ZINC000655778962 566849624 /nfs/dbraw/zinc/84/96/24/566849624.db2.gz YMOZNGHNVNXJRC-UHFFFAOYSA-N 0 1 398.297 3.497 20 0 GGADMN CC(C)(C)c1nnc(CNS(=O)(=O)c2cscc2Br)s1 ZINC000632097661 566850062 /nfs/dbraw/zinc/85/00/62/566850062.db2.gz UOVYPENXKATEPS-UHFFFAOYSA-N 0 1 396.357 3.138 20 0 GGADMN Fc1ccc(Br)c2c1CC[C@@H]2NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655796483 566850364 /nfs/dbraw/zinc/85/03/64/566850364.db2.gz HYYWJDDOZYKRFG-STQMWFEESA-N 0 1 381.249 3.335 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CNCc1n[nH]c(C(C)C)n1 ZINC000655779006 566850418 /nfs/dbraw/zinc/85/04/18/566850418.db2.gz ZXZLEBWKZAQVPR-UHFFFAOYSA-N 0 1 389.301 3.475 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(SC)ccc3Cl)CC2)c1 ZINC000517851760 566851188 /nfs/dbraw/zinc/85/11/88/566851188.db2.gz BEMUMUDYLQOAMJ-UHFFFAOYSA-N 0 1 377.897 3.428 20 0 GGADMN Brc1cccc2c(CNCc3n[nH]c([C@@H]4CCCO4)n3)ccnc12 ZINC000655816997 566851542 /nfs/dbraw/zinc/85/15/42/566851542.db2.gz CWZHEJKLPXYDCB-AWEZNQCLSA-N 0 1 388.269 3.257 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc(I)cc2)c1O ZINC000610663003 566851679 /nfs/dbraw/zinc/85/16/79/566851679.db2.gz UICOWRODTXMSFX-UHFFFAOYSA-N 0 1 389.214 3.106 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000655807137 566851963 /nfs/dbraw/zinc/85/19/63/566851963.db2.gz BTXLSROFHIAPRX-HNNXBMFYSA-N 0 1 379.302 3.166 20 0 GGADMN O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582331044 566853129 /nfs/dbraw/zinc/85/31/29/566853129.db2.gz XMSHVCDXMPVOTB-GFCCVEGCSA-N 0 1 390.281 3.013 20 0 GGADMN O=S(=O)(N[C@@H]1CCN(c2ccccc2F)C1)c1c(Cl)ccc(F)c1F ZINC000490458447 566853622 /nfs/dbraw/zinc/85/36/22/566853622.db2.gz NBRPNMFNNBSZCM-SNVBAGLBSA-N 0 1 390.814 3.315 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCc1cc(F)ccc1Br ZINC000543118861 566854090 /nfs/dbraw/zinc/85/40/90/566854090.db2.gz BIYAWVATEPAKRY-UHFFFAOYSA-N 0 1 398.232 3.368 20 0 GGADMN C[C@@H](N[C@@H](C)Cc1ccccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000655834898 566854583 /nfs/dbraw/zinc/85/45/83/566854583.db2.gz SNBMTMMXCLPXNM-WDEREUQCSA-N 0 1 388.320 3.318 20 0 GGADMN Cc1nc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)sc1C(F)(F)F ZINC000582372743 566854852 /nfs/dbraw/zinc/85/48/52/566854852.db2.gz NLFSDPLPFCQLLG-NXEZZACHSA-N 0 1 380.436 3.091 20 0 GGADMN COc1cc(C)c(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000428538394 566854934 /nfs/dbraw/zinc/85/49/34/566854934.db2.gz QBULUKQVAOUZSL-UHFFFAOYSA-N 0 1 383.897 3.359 20 0 GGADMN Cc1nc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)sc1C(F)(F)F ZINC000582372742 566855430 /nfs/dbraw/zinc/85/54/30/566855430.db2.gz NLFSDPLPFCQLLG-AOOOYVTPSA-N 0 1 380.436 3.091 20 0 GGADMN Cc1ncncc1[C@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000517959389 566856822 /nfs/dbraw/zinc/85/68/22/566856822.db2.gz AGYXOZPMFPMTOF-ZDUSSCGKSA-N 0 1 391.313 3.235 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(Br)ccc1O ZINC000517970536 566857823 /nfs/dbraw/zinc/85/78/23/566857823.db2.gz SWTFHCSIYUUHKT-UHFFFAOYSA-N 0 1 391.200 3.009 20 0 GGADMN CC(C)c1nc(S(=O)(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)c[nH]1 ZINC000679476232 566858038 /nfs/dbraw/zinc/85/80/38/566858038.db2.gz IJEWWCHXGPIVIS-LBPRGKRZSA-N 0 1 383.342 3.393 20 0 GGADMN C[C@@H]1CN(Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H](C)N1CCO ZINC000451664441 566858919 /nfs/dbraw/zinc/85/89/19/566858919.db2.gz MEZXEXULFQWMFI-GASCZTMLSA-N 0 1 379.957 3.274 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cs1 ZINC000543164228 566858974 /nfs/dbraw/zinc/85/89/74/566858974.db2.gz KKSAJLYARKNWRQ-UHFFFAOYSA-N 0 1 391.417 3.401 20 0 GGADMN O=C1CCCCN1CCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000543176189 566860400 /nfs/dbraw/zinc/86/04/00/566860400.db2.gz VWQZMPBZDSECQT-UHFFFAOYSA-N 0 1 382.295 3.066 20 0 GGADMN CN(Cc1ccc(F)cc1Br)C(=O)[C@H]1NCCc2ccccc21 ZINC000563159029 566860663 /nfs/dbraw/zinc/86/06/63/566860663.db2.gz CCWMQXJZZVWKHF-KRWDZBQOSA-N 0 1 377.257 3.434 20 0 GGADMN COC(=O)c1cc(CN(C)C(=O)c2cccc(Br)c2O)oc1C ZINC000518030817 566861485 /nfs/dbraw/zinc/86/14/85/566861485.db2.gz WMXLWBQOIMWJIS-UHFFFAOYSA-N 0 1 382.210 3.115 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCC1 ZINC000655933715 566861803 /nfs/dbraw/zinc/86/18/03/566861803.db2.gz UEWOEIUUBHVWAT-UHFFFAOYSA-N 0 1 376.254 3.345 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1Br ZINC000518027034 566861952 /nfs/dbraw/zinc/86/19/52/566861952.db2.gz WKLWWDGNXPDFKQ-CYBMUJFWSA-N 0 1 397.292 3.467 20 0 GGADMN CSc1ccccc1NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000518041296 566862250 /nfs/dbraw/zinc/86/22/50/566862250.db2.gz UOHXFKGHSRHJPI-UHFFFAOYSA-N 0 1 385.532 3.230 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2csc(C(C)(C)C)n2)CC1 ZINC000582449840 566863354 /nfs/dbraw/zinc/86/33/54/566863354.db2.gz UDRIGKTZIPIYTA-AWEZNQCLSA-N 0 1 387.615 3.323 20 0 GGADMN COC(=O)C12CCC(C(=O)Nc3nc4ccc(Br)cc4[nH]3)(CC1)C2 ZINC000428635022 566863702 /nfs/dbraw/zinc/86/37/02/566863702.db2.gz DFXPTPZLGJXIEX-UHFFFAOYSA-N 0 1 392.253 3.387 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696726 566863712 /nfs/dbraw/zinc/86/37/12/566863712.db2.gz PTGMRYLYVJTJJG-IIAWOOMASA-N 0 1 381.314 3.179 20 0 GGADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cn(-c5ccc(Cl)cc5Cl)nn4)[C@H]1[C@H]3C2 ZINC000582447673 566864007 /nfs/dbraw/zinc/86/40/07/566864007.db2.gz XSTNJUTZEDEDJO-RMRUMULMSA-N 0 1 379.291 3.429 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000582447672 566864059 /nfs/dbraw/zinc/86/40/59/566864059.db2.gz XSTNJUTZEDEDJO-LGQNPDNSSA-N 0 1 379.291 3.429 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451691984 566864053 /nfs/dbraw/zinc/86/40/53/566864053.db2.gz DDDBVJKKBHRMSP-WVZRYYJFSA-N 0 1 381.314 3.259 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000490564388 566864302 /nfs/dbraw/zinc/86/43/02/566864302.db2.gz IOQBHZILQHCYIN-UHFFFAOYSA-N 0 1 382.873 3.116 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2Br)cn1 ZINC000470329894 566864597 /nfs/dbraw/zinc/86/45/97/566864597.db2.gz FETNDUOFZMSROI-UHFFFAOYSA-N 0 1 388.269 3.294 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCCCS1(=O)=O ZINC000543239436 566864833 /nfs/dbraw/zinc/86/48/33/566864833.db2.gz SHYCBXRMJQOTHD-KRWDZBQOSA-N 0 1 381.929 3.199 20 0 GGADMN CSc1cc(C(=O)Nc2nc(SCCO)n[nH]2)c(Cl)cc1Cl ZINC000490565478 566864924 /nfs/dbraw/zinc/86/49/24/566864924.db2.gz NCSIXMSPJXELNG-UHFFFAOYSA-N 0 1 379.294 3.170 20 0 GGADMN CN(CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@H]1CCSC1 ZINC000490562737 566864942 /nfs/dbraw/zinc/86/49/42/566864942.db2.gz FPZOKKILRAUWAJ-LPHOPBHVSA-N 0 1 375.925 3.378 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC[C@H]1CCCCS1(=O)=O ZINC000543239441 566865989 /nfs/dbraw/zinc/86/59/89/566865989.db2.gz SHYCBXRMJQOTHD-QGZVFWFLSA-N 0 1 381.929 3.199 20 0 GGADMN CC[C@H](Cc1ccccc1Br)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000490582332 566866637 /nfs/dbraw/zinc/86/66/37/566866637.db2.gz GZQOJBLHVRRXJZ-HUUCEWRRSA-N 0 1 385.371 3.324 20 0 GGADMN Cc1cc(CN[C@H]2CCCOc3ccc(I)cc32)n[nH]1 ZINC000610821166 566866921 /nfs/dbraw/zinc/86/69/21/566866921.db2.gz RQLHQAACDYTQFP-AWEZNQCLSA-N 0 1 383.233 3.326 20 0 GGADMN Cc1cc(CN[C@H]2CCCOc3ccc(I)cc32)[nH]n1 ZINC000610821166 566866925 /nfs/dbraw/zinc/86/69/25/566866925.db2.gz RQLHQAACDYTQFP-AWEZNQCLSA-N 0 1 383.233 3.326 20 0 GGADMN CCc1nc(CNC(=O)N2Cc3cccc(Br)c3C[C@H]2CC)n[nH]1 ZINC000656046447 566866878 /nfs/dbraw/zinc/86/68/78/566866878.db2.gz WFPHCNGBCGWMHR-GFCCVEGCSA-N 0 1 392.301 3.176 20 0 GGADMN O=C([O-])[C@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000582492342 566867492 /nfs/dbraw/zinc/86/74/92/566867492.db2.gz VIWPQSPIKOETLR-HOCLYGCPSA-N 0 1 386.261 3.290 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]2C1 ZINC000451711331 566867602 /nfs/dbraw/zinc/86/76/02/566867602.db2.gz PQQHIDVFMLTRPL-GRYCIOLGSA-N 0 1 382.258 3.075 20 0 GGADMN CO[C@@H](c1noc(CCCCc2cn[nH]n2)n1)c1ccccc1Br ZINC000656053882 566868084 /nfs/dbraw/zinc/86/80/84/566868084.db2.gz YAYGQTZZNJIGCZ-OAHLLOKOSA-N 0 1 392.257 3.251 20 0 GGADMN CC[C@H]1CN(CC)CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000451724576 566868552 /nfs/dbraw/zinc/86/85/52/566868552.db2.gz HLBCVNATJMOAQI-ZDUSSCGKSA-N 0 1 375.847 3.296 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cscc2Br)n[nH]1 ZINC000632273664 566868883 /nfs/dbraw/zinc/86/88/83/566868883.db2.gz WKENQOXKKCLORA-HTQZYQBOSA-N 0 1 393.332 3.182 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)N(CC(C)C)C2CCN(C)CC2)c1 ZINC000563262137 566869048 /nfs/dbraw/zinc/86/90/48/566869048.db2.gz KAJHPGUBTWHYHF-UHFFFAOYSA-N 0 1 388.961 3.227 20 0 GGADMN CN(CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCSC1 ZINC000490608338 566869424 /nfs/dbraw/zinc/86/94/24/566869424.db2.gz MZOQZSKSBIITMD-TZMCWYRMSA-N 0 1 389.348 3.410 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@H]2C1 ZINC000451720256 566869650 /nfs/dbraw/zinc/86/96/50/566869650.db2.gz XYWTYXMYYQMMKD-BFHYXJOUSA-N 0 1 392.297 3.482 20 0 GGADMN CC(C)(N)c1noc(CN2CCC(c3ccccc3Br)CC2)n1 ZINC000518187694 566870485 /nfs/dbraw/zinc/87/04/85/566870485.db2.gz FITJALYKOFHOKI-UHFFFAOYSA-N 0 1 379.302 3.406 20 0 GGADMN COC(=O)[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1Cl ZINC000543305556 566870710 /nfs/dbraw/zinc/87/07/10/566870710.db2.gz QMFFCIFFRQQBCF-BMIGLBTASA-N 0 1 382.247 3.167 20 0 GGADMN CSc1cc(N2CCN(CCCOCC(F)(F)F)CC2)nc(SC)n1 ZINC000656111806 566871086 /nfs/dbraw/zinc/87/10/86/566871086.db2.gz BGRVLNBKZAWMST-UHFFFAOYSA-N 0 1 396.504 3.011 20 0 GGADMN COC(=O)[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1Cl ZINC000543305559 566871082 /nfs/dbraw/zinc/87/10/82/566871082.db2.gz QMFFCIFFRQQBCF-ZUZCIYMTSA-N 0 1 382.247 3.167 20 0 GGADMN C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cccc(Br)c1O)C1CC1 ZINC000563273760 566871384 /nfs/dbraw/zinc/87/13/84/566871384.db2.gz JMLPBSRYUDGNHL-SNVBAGLBSA-N 0 1 384.270 3.490 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cccc2c1OCO2 ZINC000518214369 566871591 /nfs/dbraw/zinc/87/15/91/566871591.db2.gz PSGOQCQZVTZWNZ-UHFFFAOYSA-N 0 1 387.193 3.215 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1C[C@@H](C)O ZINC000543334088 566871803 /nfs/dbraw/zinc/87/18/03/566871803.db2.gz BLCDMYZUCIUNKF-ZYHUDNBSSA-N 0 1 380.341 3.042 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cc(Br)c(C)cc1OC ZINC000582539007 566871781 /nfs/dbraw/zinc/87/17/81/566871781.db2.gz OIOSHTOSUUPABG-UHFFFAOYSA-N 0 1 396.241 3.227 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Br)s2)CC1 ZINC000428713686 566872182 /nfs/dbraw/zinc/87/21/82/566872182.db2.gz TWHLWHSDCSVNJO-HIFRSBDPSA-N 0 1 388.327 3.301 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)Cc1cc2c(cc1Br)OCCO2 ZINC000490632913 566871976 /nfs/dbraw/zinc/87/19/76/566871976.db2.gz ZNXWIXAMYMOTOM-UHFFFAOYSA-N 0 1 386.286 3.384 20 0 GGADMN O=S(=O)(c1ncc[nH]1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000632302146 566872052 /nfs/dbraw/zinc/87/20/52/566872052.db2.gz ZBYZXNHEDNPYSJ-UHFFFAOYSA-N 0 1 377.363 3.078 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1OC ZINC000470436824 566872068 /nfs/dbraw/zinc/87/20/68/566872068.db2.gz FLICDTPXZYCQNW-UHFFFAOYSA-N 0 1 377.340 3.245 20 0 GGADMN Cc1noc(C)c1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000563290194 566872413 /nfs/dbraw/zinc/87/24/13/566872413.db2.gz SDTFKIMATUBCLC-JKSUJKDBSA-N 0 1 379.254 3.354 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000563288015 566873113 /nfs/dbraw/zinc/87/31/13/566873113.db2.gz BLJUTDPCZQEHLB-CYBMUJFWSA-N 0 1 396.159 3.017 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000563288015 566873118 /nfs/dbraw/zinc/87/31/18/566873118.db2.gz BLJUTDPCZQEHLB-CYBMUJFWSA-N 0 1 396.159 3.017 20 0 GGADMN CC[C@@H]1CN(CC)CCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000451731874 566873133 /nfs/dbraw/zinc/87/31/33/566873133.db2.gz RSSKVDCPZITMEZ-MRXNPFEDSA-N 0 1 393.329 3.339 20 0 GGADMN Brc1cc2ccccc2nc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000656129095 566873246 /nfs/dbraw/zinc/87/32/46/566873246.db2.gz UDDUHYKYTZNGFE-AWEZNQCLSA-N 0 1 376.298 3.156 20 0 GGADMN C[N@@H+](CCOc1ccccc1Br)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563285236 566873310 /nfs/dbraw/zinc/87/33/10/566873310.db2.gz ZLGSWBYUUCOFQC-MRXNPFEDSA-N 0 1 378.266 3.456 20 0 GGADMN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428743640 566873693 /nfs/dbraw/zinc/87/36/93/566873693.db2.gz WQVQGOWYRPOJBP-UHFFFAOYSA-N 0 1 386.851 3.453 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCC1 ZINC000582558094 566874012 /nfs/dbraw/zinc/87/40/12/566874012.db2.gz JOSBOQFKZDQAIB-JTQLQIEISA-N 0 1 380.293 3.095 20 0 GGADMN COc1ccccc1[C@@H]1C[C@H]1N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000582556010 566874199 /nfs/dbraw/zinc/87/41/99/566874199.db2.gz BDCIEQUFFKHIAY-UXLLHSPISA-N 0 1 375.266 3.130 20 0 GGADMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)Nc1cc(C(N)=O)ccc1F ZINC000470444238 566874557 /nfs/dbraw/zinc/87/45/57/566874557.db2.gz NQRPOFOFNLOZSO-UHFFFAOYSA-N 0 1 382.800 3.433 20 0 GGADMN Cc1c(Br)cccc1CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000656154495 566874967 /nfs/dbraw/zinc/87/49/67/566874967.db2.gz LIHTUQZLAVSLME-UHFFFAOYSA-N 0 1 386.286 3.460 20 0 GGADMN COc1ccccc1[C@H](CO)NC[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679825294 566875289 /nfs/dbraw/zinc/87/52/89/566875289.db2.gz BNSMZGGYSMMANI-PXAZEXFGSA-N 0 1 386.275 3.065 20 0 GGADMN COc1ccccc1[C@H](CO)NC[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679825296 566875304 /nfs/dbraw/zinc/87/53/04/566875304.db2.gz BNSMZGGYSMMANI-SJCJKPOMSA-N 0 1 386.275 3.065 20 0 GGADMN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000428774388 566875549 /nfs/dbraw/zinc/87/55/49/566875549.db2.gz VHIKFZYIPCXYBA-KSSFIOAISA-N 0 1 391.309 3.085 20 0 GGADMN CC(C)(CO)[C@H](NCc1ncc(Br)cc1Br)C1CC1 ZINC000582577933 566876112 /nfs/dbraw/zinc/87/61/12/566876112.db2.gz FTIFKGIVBBTRTG-CYBMUJFWSA-N 0 1 392.135 3.493 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)s1 ZINC000679844821 566876612 /nfs/dbraw/zinc/87/66/12/566876612.db2.gz MIVZXSYJAMBHNG-LLVKDONJSA-N 0 1 379.507 3.020 20 0 GGADMN Cc1cccc(C[C@H](CO)NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000470472391 566876802 /nfs/dbraw/zinc/87/68/02/566876802.db2.gz GAUNVSMBXJDUPJ-CYBMUJFWSA-N 0 1 375.881 3.433 20 0 GGADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000543393101 566877254 /nfs/dbraw/zinc/87/72/54/566877254.db2.gz UUQRGZSVYPIOMQ-LBPRGKRZSA-N 0 1 395.750 3.254 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000428784513 566877308 /nfs/dbraw/zinc/87/73/08/566877308.db2.gz TUFDVBLUGQGYTE-MGPLVRAMSA-N 0 1 399.235 3.378 20 0 GGADMN COCC1(S(=O)(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000518342620 566877680 /nfs/dbraw/zinc/87/76/80/566877680.db2.gz BCGOQEAWYABAEQ-HNNXBMFYSA-N 0 1 383.901 3.252 20 0 GGADMN CC1(C)[C@H](NCc2coc(-c3ccc(I)cc3)n2)C[C@@H]1O ZINC000563361974 566877552 /nfs/dbraw/zinc/87/75/52/566877552.db2.gz VWNVNBUKKGLJPH-KGLIPLIRSA-N 0 1 398.244 3.195 20 0 GGADMN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1[nH]cnc1C(=O)OC ZINC000563358966 566877670 /nfs/dbraw/zinc/87/76/70/566877670.db2.gz GFCWGNLEXMVRPK-LLVKDONJSA-N 0 1 380.242 3.166 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000428782306 566878026 /nfs/dbraw/zinc/87/80/26/566878026.db2.gz KZVVDUFTWVJMFY-XYPHTWIQSA-N 0 1 383.330 3.252 20 0 GGADMN CC1(C)[C@@H](O)C[C@@H]1NCc1coc(-c2ccc(I)cc2)n1 ZINC000563361973 566878083 /nfs/dbraw/zinc/87/80/83/566878083.db2.gz VWNVNBUKKGLJPH-KBPBESRZSA-N 0 1 398.244 3.195 20 0 GGADMN COc1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc(Br)c1OC(F)F ZINC000543410836 566879196 /nfs/dbraw/zinc/87/91/96/566879196.db2.gz DYNWYXQKCLBURQ-GVXVVHGQSA-N 0 1 392.240 3.262 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCO3)c1 ZINC000563380293 566879237 /nfs/dbraw/zinc/87/92/37/566879237.db2.gz GHTOGFMBQYJHKE-UHFFFAOYSA-N 0 1 378.475 3.101 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000679888407 566879378 /nfs/dbraw/zinc/87/93/78/566879378.db2.gz VZPTZNCGUQALFU-CQSZACIVSA-N 0 1 395.297 3.344 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000428801771 566879825 /nfs/dbraw/zinc/87/98/25/566879825.db2.gz GAIHMXKAZLNBBR-WRFANHODSA-N 0 1 383.330 3.156 20 0 GGADMN CC(C)[C@H]1CN(C(=O)Nc2ccc3nccnc3c2Br)CCN1C ZINC000490773058 566879881 /nfs/dbraw/zinc/87/98/81/566879881.db2.gz STCUDGKEVDCPKM-CQSZACIVSA-N 0 1 392.301 3.196 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(C)cc(I)c2)n[nH]1 ZINC000490834007 566880505 /nfs/dbraw/zinc/88/05/05/566880505.db2.gz JILUXSHIHMYISR-VIFPVBQESA-N 0 1 399.236 3.163 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000632408259 566881062 /nfs/dbraw/zinc/88/10/62/566881062.db2.gz ZHGRPMQFFLWYKX-UHFFFAOYSA-N 0 1 381.325 3.107 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000428814398 566881240 /nfs/dbraw/zinc/88/12/40/566881240.db2.gz CYLTYWOMEZGBFO-RDTXWAMCSA-N 0 1 391.309 3.085 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NCC1CCCCC1 ZINC000428813425 566881309 /nfs/dbraw/zinc/88/13/09/566881309.db2.gz DBESFQOUBPGWEA-CXAGYDPISA-N 0 1 383.330 3.157 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000490836636 566882473 /nfs/dbraw/zinc/88/24/73/566882473.db2.gz XYQIHIYVNYIZGD-NWDGAFQWSA-N 0 1 387.265 3.156 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000632408731 566882849 /nfs/dbraw/zinc/88/28/49/566882849.db2.gz SIJJKNKLTIOITI-UHFFFAOYSA-N 0 1 379.551 3.223 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cccc(I)c1 ZINC000543445328 566882951 /nfs/dbraw/zinc/88/29/51/566882951.db2.gz GWIATZTYXLUORO-UHFFFAOYSA-N 0 1 390.184 3.329 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCCc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000518417383 566883282 /nfs/dbraw/zinc/88/32/82/566883282.db2.gz SIENPMZGCHQBII-KBPBESRZSA-N 0 1 388.339 3.334 20 0 GGADMN Clc1ccc(Cc2nnc(NCc3n[nH]c([C@H]4CCCO4)n3)s2)cc1 ZINC000656207745 566884839 /nfs/dbraw/zinc/88/48/39/566884839.db2.gz FYDRCWGYVDSKCU-GFCCVEGCSA-N 0 1 376.873 3.364 20 0 GGADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000563454493 566885977 /nfs/dbraw/zinc/88/59/77/566885977.db2.gz LHZHIWUCIZHDOC-IUODEOHRSA-N 0 1 385.245 3.019 20 0 GGADMN Brc1cc2ncnc(N3CCC[C@@H](N4CCOCC4)CC3)c2s1 ZINC000656230684 566886531 /nfs/dbraw/zinc/88/65/31/566886531.db2.gz MHUMPDXDNPSRCD-GFCCVEGCSA-N 0 1 397.342 3.145 20 0 GGADMN COCC[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1ccc(C)o1 ZINC000543509497 566887293 /nfs/dbraw/zinc/88/72/93/566887293.db2.gz FALVENLURYTMRA-NVXWUHKLSA-N 0 1 398.297 3.458 20 0 GGADMN O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1nc2ccc(Br)cc2[nH]1 ZINC000680034503 566887596 /nfs/dbraw/zinc/88/75/96/566887596.db2.gz KFGFAIPAGWTDPM-UHFFFAOYSA-N 0 1 385.221 3.001 20 0 GGADMN C[C@@]1(NCc2cn(-c3ccccc3Br)nn2)CCO[C@H]1C1CC1 ZINC000563482002 566887844 /nfs/dbraw/zinc/88/78/44/566887844.db2.gz GGJQTRGKVRGCCF-DLBZAZTESA-N 0 1 377.286 3.077 20 0 GGADMN COCC[C@H](NC[C@H](O)COc1cccc(Br)c1)c1ccc(C)o1 ZINC000543509498 566887916 /nfs/dbraw/zinc/88/79/16/566887916.db2.gz FALVENLURYTMRA-RDJZCZTQSA-N 0 1 398.297 3.458 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1nc(C(F)(F)F)no1 ZINC000632479424 566888172 /nfs/dbraw/zinc/88/81/72/566888172.db2.gz CPMFKVHEOMCQKI-RXMQYKEDSA-N 0 1 390.170 3.435 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000518512315 566888323 /nfs/dbraw/zinc/88/83/23/566888323.db2.gz SCFNLXGKGWJWRP-JZXOWHBKSA-N 0 1 399.373 3.131 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000518512317 566888345 /nfs/dbraw/zinc/88/83/45/566888345.db2.gz SCFNLXGKGWJWRP-SOLBZPMBSA-N 0 1 399.373 3.131 20 0 GGADMN COCCCN(CCOC)Cc1cn(-c2ccccc2Br)nc1C ZINC000656250430 566888505 /nfs/dbraw/zinc/88/85/05/566888505.db2.gz QVSBLCFBSPWCCU-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000582724622 566888869 /nfs/dbraw/zinc/88/88/69/566888869.db2.gz HMIPDQPJKCVXCR-CYBMUJFWSA-N 0 1 385.302 3.071 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)o1 ZINC000611103196 566889349 /nfs/dbraw/zinc/88/93/49/566889349.db2.gz JKDYQGINYULVHU-UHFFFAOYSA-N 0 1 379.312 3.074 20 0 GGADMN CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000611095942 566889396 /nfs/dbraw/zinc/88/93/96/566889396.db2.gz ZJTLBAFLKNRABU-LBPRGKRZSA-N 0 1 398.301 3.184 20 0 GGADMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)NC[C@]1(N(C)C)CCSC1 ZINC000470624762 566890410 /nfs/dbraw/zinc/89/04/10/566890410.db2.gz XXXAENMFYIVFNP-MRXNPFEDSA-N 0 1 388.942 3.110 20 0 GGADMN O=C(NCCN=c1[nH]c2ccccc2s1)c1cccc(Br)c1O ZINC000518544285 566890549 /nfs/dbraw/zinc/89/05/49/566890549.db2.gz FSSKTOFLODVBDK-UHFFFAOYSA-N 0 1 392.278 3.028 20 0 GGADMN Brc1cc2c(cc1CN1CCC([C@H]3CCOC3)CC1)OCCO2 ZINC000680091604 566890879 /nfs/dbraw/zinc/89/08/79/566890879.db2.gz UZPAJUBRPYTCBB-AWEZNQCLSA-N 0 1 382.298 3.469 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN(C)CCc1cnccn1 ZINC000656255257 566890976 /nfs/dbraw/zinc/89/09/76/566890976.db2.gz ITLZQRDIYFNQJN-UHFFFAOYSA-N 0 1 386.297 3.408 20 0 GGADMN COCCCOCCN(C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656255252 566891145 /nfs/dbraw/zinc/89/11/45/566891145.db2.gz IPADZJFBLLVVAW-UHFFFAOYSA-N 0 1 396.329 3.428 20 0 GGADMN COC(=O)CCN(Cc1n[nH]c(C(C)C)n1)Cc1cccc(Br)c1 ZINC000428940343 566891518 /nfs/dbraw/zinc/89/15/18/566891518.db2.gz CSTUNZLMCDAUEL-UHFFFAOYSA-N 0 1 395.301 3.256 20 0 GGADMN CC(C)c1nc(CN(CCn2ccnc2)Cc2ccc(Br)o2)n[nH]1 ZINC000428942826 566891597 /nfs/dbraw/zinc/89/15/97/566891597.db2.gz CQQRVGSZTMOPQH-UHFFFAOYSA-N 0 1 393.289 3.183 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000491065223 566892048 /nfs/dbraw/zinc/89/20/48/566892048.db2.gz JZAMFFBFAXDHKZ-RDBSUJKOSA-N 0 1 388.339 3.193 20 0 GGADMN Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCCCC2)c(Br)c1 ZINC000491057117 566892393 /nfs/dbraw/zinc/89/23/93/566892393.db2.gz DHFVZFDIHLBIBW-UHFFFAOYSA-N 0 1 389.359 3.300 20 0 GGADMN CCCOc1c(Br)cc(CN(C)CCNC(C)=O)cc1OCC ZINC000563538115 566893613 /nfs/dbraw/zinc/89/36/13/566893613.db2.gz XWIPRZRMXZBKKF-UHFFFAOYSA-N 0 1 387.318 3.205 20 0 GGADMN COCc1nc(CNC2CCN(C(=O)c3ccccc3Cl)CC2)cs1 ZINC000582777228 566893520 /nfs/dbraw/zinc/89/35/20/566893520.db2.gz CEIHWGRQTNKUFV-UHFFFAOYSA-N 0 1 379.913 3.337 20 0 GGADMN O=S(=O)(NC[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C(F)F)o1 ZINC000632550020 566893856 /nfs/dbraw/zinc/89/38/56/566893856.db2.gz NGZAZRRWKRFEPD-JTQLQIEISA-N 0 1 377.331 3.386 20 0 GGADMN Cc1cc(Br)c2c(c1)CN(C(=O)CN(C)[C@H]1CCSC1)CC2 ZINC000491084165 566894000 /nfs/dbraw/zinc/89/40/00/566894000.db2.gz YZRZBVUZWUKSIP-AWEZNQCLSA-N 0 1 383.355 3.080 20 0 GGADMN Cc1cc(Br)c2c(c1)CN(C(=O)CN(C)[C@@H]1CCSC1)CC2 ZINC000491084173 566894427 /nfs/dbraw/zinc/89/44/27/566894427.db2.gz YZRZBVUZWUKSIP-CQSZACIVSA-N 0 1 383.355 3.080 20 0 GGADMN COc1ccc(OCC[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)cc1 ZINC000582792247 566895613 /nfs/dbraw/zinc/89/56/13/566895613.db2.gz ULJIMABZCUNRQR-UHFFFAOYSA-N 0 1 394.265 3.423 20 0 GGADMN NC(=O)[C@H](Cc1ccccc1)NCc1cc(Br)ccc1OC(F)F ZINC000543655609 566896180 /nfs/dbraw/zinc/89/61/80/566896180.db2.gz BGJWUGYENZONOI-AWEZNQCLSA-N 0 1 399.235 3.237 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000582817451 566896539 /nfs/dbraw/zinc/89/65/39/566896539.db2.gz QFICKEHGRCNQCP-CQSZACIVSA-N 0 1 393.329 3.225 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)c1cc(Br)sc1Br ZINC000582844313 566898843 /nfs/dbraw/zinc/89/88/43/566898843.db2.gz GVILQOJRDMBXJX-QMMMGPOBSA-N 0 1 396.148 3.487 20 0 GGADMN O=C(c1sc2ccccc2c1Br)N1CC[C@H](c2nc[nH]n2)C1 ZINC000582841337 566899129 /nfs/dbraw/zinc/89/91/29/566899129.db2.gz FGOCJTUHCGNRMG-VIFPVBQESA-N 0 1 377.267 3.412 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000470726879 566899466 /nfs/dbraw/zinc/89/94/66/566899466.db2.gz PLBRQEVTKMBNHZ-UONOGXRCSA-N 0 1 389.323 3.187 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000611216952 566899724 /nfs/dbraw/zinc/89/97/24/566899724.db2.gz FEDCPMBJYWCFKW-JTQLQIEISA-N 0 1 398.271 3.445 20 0 GGADMN C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000582869002 566899920 /nfs/dbraw/zinc/89/99/20/566899920.db2.gz PMAXLHFCJXNARB-ZJUUUORDSA-N 0 1 398.269 3.211 20 0 GGADMN O=C(NCc1ccc2cncn2c1)N1CCc2sc(Br)cc2C1 ZINC000656365610 566899878 /nfs/dbraw/zinc/89/98/78/566899878.db2.gz ZCIFJUDZWAINQP-UHFFFAOYSA-N 0 1 391.294 3.426 20 0 GGADMN C[C@H]1C[C@@H](CCNS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000582869000 566900257 /nfs/dbraw/zinc/90/02/57/566900257.db2.gz PMAXLHFCJXNARB-UWVGGRQHSA-N 0 1 398.269 3.211 20 0 GGADMN C[C@@H](CNCc1c(Br)cncc1Br)Cn1cccn1 ZINC000518725222 566900484 /nfs/dbraw/zinc/90/04/84/566900484.db2.gz DZFBLDAUIYKJNZ-JTQLQIEISA-N 0 1 388.107 3.229 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c1 ZINC000582861165 566900965 /nfs/dbraw/zinc/90/09/65/566900965.db2.gz VULRCNGCWMOKCO-UHFFFAOYSA-N 0 1 377.857 3.069 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 ZINC000491293599 566902364 /nfs/dbraw/zinc/90/23/64/566902364.db2.gz HSAMKHLVLRYCRY-UHFFFAOYSA-N 0 1 392.179 3.259 20 0 GGADMN NC(=O)C1(c2ccccc2)CCN(Cc2cccc(O)c2Br)CC1 ZINC000656440817 566902721 /nfs/dbraw/zinc/90/27/21/566902721.db2.gz FZMXNJRWAVYOSP-UHFFFAOYSA-N 0 1 389.293 3.174 20 0 GGADMN O=C1[C@@H](N2CCOC[C@@H](C3CCC3)C2)CCN1c1cccc(Br)c1 ZINC000429039009 566904587 /nfs/dbraw/zinc/90/45/87/566904587.db2.gz YJKXMSYIBPEHEH-YJBOKZPZSA-N 0 1 393.325 3.303 20 0 GGADMN C[C@](CO)(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000451903838 566904623 /nfs/dbraw/zinc/90/46/23/566904623.db2.gz FJKMZBWGVJTPGQ-UKRRQHHQSA-N 0 1 399.240 3.344 20 0 GGADMN O=C(CCN[C@H](CO)c1ccc(Br)c(F)c1)Nc1ccc(F)cc1 ZINC000429043584 566905034 /nfs/dbraw/zinc/90/50/34/566905034.db2.gz SROPXCFGJDOJBJ-MRXNPFEDSA-N 0 1 399.235 3.379 20 0 GGADMN Cn1c(=O)c(CNCc2cnc3ccc(Br)cn23)cc2ccccc21 ZINC000491459457 566905638 /nfs/dbraw/zinc/90/56/38/566905638.db2.gz RFQAYUNOGHEUPP-UHFFFAOYSA-N 0 1 397.276 3.239 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccncc1Br)c1ccc(Cl)cc1 ZINC000543740831 566907152 /nfs/dbraw/zinc/90/71/52/566907152.db2.gz HETLZKJPRZBOOL-HNNXBMFYSA-N 0 1 397.704 3.344 20 0 GGADMN O=C(NC1CC[NH+](C2CC2)CC1)c1c([O-])cnc2c(Br)cccc21 ZINC000582933564 566907714 /nfs/dbraw/zinc/90/77/14/566907714.db2.gz JVDJBCRPTVJQLW-UHFFFAOYSA-N 0 1 390.281 3.060 20 0 GGADMN Cc1ccc(CCN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)nc1 ZINC000518907915 566910040 /nfs/dbraw/zinc/91/00/40/566910040.db2.gz YXCVXLKEIIGVDA-INIZCTEOSA-N 0 1 395.322 3.203 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C12CCC2 ZINC000563725732 566911183 /nfs/dbraw/zinc/91/11/83/566911183.db2.gz QTWUNVJSCPREHT-IAGOWNOFSA-N 0 1 391.313 3.467 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CC(N(C)C)C2)c1C ZINC000680473534 566911442 /nfs/dbraw/zinc/91/14/42/566911442.db2.gz FLYZJSSXILCUTN-UHFFFAOYSA-N 0 1 392.301 3.029 20 0 GGADMN CCCN(CC[NH+](C)C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000582995076 566912079 /nfs/dbraw/zinc/91/20/79/566912079.db2.gz FTDCAZJTQFCVRJ-UHFFFAOYSA-N 0 1 380.286 3.117 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F)s1 ZINC000680502804 566913122 /nfs/dbraw/zinc/91/31/22/566913122.db2.gz VSSPNANQSOGDMZ-PRHODGIISA-N 0 1 386.461 3.201 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@H]1CCCc2cn[nH]c21 ZINC000583001466 566913245 /nfs/dbraw/zinc/91/32/45/566913245.db2.gz QBBYRFIMEYVHQD-AEGPPILISA-N 0 1 375.270 3.405 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1C ZINC000491650961 566913283 /nfs/dbraw/zinc/91/32/83/566913283.db2.gz BQHRTPCABDPZDN-UHFFFAOYSA-N 0 1 395.239 3.449 20 0 GGADMN CN(Cc1csc(Br)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000583010072 566913629 /nfs/dbraw/zinc/91/36/29/566913629.db2.gz PVUOHJCKJZWAQL-UHFFFAOYSA-N 0 1 386.319 3.268 20 0 GGADMN O=C(CN[C@H](CO)c1ccc(Br)cc1)N(C1CC1)C1CCCC1 ZINC000543838458 566914111 /nfs/dbraw/zinc/91/41/11/566914111.db2.gz INYPYRKTBOJVIO-QGZVFWFLSA-N 0 1 381.314 3.006 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNCc2cc(C)ccc2Br)c1 ZINC000583020116 566914433 /nfs/dbraw/zinc/91/44/33/566914433.db2.gz NHKFIBCDCDWUON-KRWDZBQOSA-N 0 1 392.293 3.490 20 0 GGADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(F)c2Br)C1 ZINC000491684208 566915593 /nfs/dbraw/zinc/91/55/93/566915593.db2.gz GBITUUWUCHDUQD-GOEBONIOSA-N 0 1 377.257 3.416 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1cccs1 ZINC000656541478 566915683 /nfs/dbraw/zinc/91/56/83/566915683.db2.gz LWUVVXZSHFLGNO-BBRMVZONSA-N 0 1 381.567 3.471 20 0 GGADMN CCn1nnc(C)c1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000563782875 566915979 /nfs/dbraw/zinc/91/59/79/566915979.db2.gz ALDAGVWGXMTHHX-UHFFFAOYSA-N 0 1 379.287 3.446 20 0 GGADMN CC[C@H](NCc1ccnc(N(C)C)n1)c1ccc(I)cc1 ZINC000611439287 566916034 /nfs/dbraw/zinc/91/60/34/566916034.db2.gz RXGITMHYJKKTHU-HNNXBMFYSA-N 0 1 396.276 3.388 20 0 GGADMN O=C1C[C@@H](CNCc2ncc(Br)s2)CN1Cc1ccccc1 ZINC000543849022 566915969 /nfs/dbraw/zinc/91/59/69/566915969.db2.gz FXCJYCFCVXBTAE-ZDUSSCGKSA-N 0 1 380.311 3.044 20 0 GGADMN COCCc1noc(CNC(C)(C)Cc2ccc(Br)c(C)c2)n1 ZINC000429247928 566916207 /nfs/dbraw/zinc/91/62/07/566916207.db2.gz KUKCWFLKIRYDDD-UHFFFAOYSA-N 0 1 382.302 3.440 20 0 GGADMN Brc1ccccc1-c1nnc(SCCN2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000543863262 566918259 /nfs/dbraw/zinc/91/82/59/566918259.db2.gz RRMOFWJPOIXAMC-TXEJJXNPSA-N 0 1 396.310 3.454 20 0 GGADMN Cc1cc(CNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)n[nH]1 ZINC000680552853 566918556 /nfs/dbraw/zinc/91/85/56/566918556.db2.gz LEGNAZMNMPAGJJ-UHFFFAOYSA-N 0 1 393.285 3.234 20 0 GGADMN COc1cc(Br)ccc1CCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000543858996 566918789 /nfs/dbraw/zinc/91/87/89/566918789.db2.gz XDGLBNIWQBJLNV-INIZCTEOSA-N 0 1 383.330 3.189 20 0 GGADMN COc1cc(Br)ccc1CCCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000470959705 566918995 /nfs/dbraw/zinc/91/89/95/566918995.db2.gz MZDSIOWNZJECPD-KDOFPFPSSA-N 0 1 384.314 3.270 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCCc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000519087846 566920559 /nfs/dbraw/zinc/92/05/59/566920559.db2.gz XTDBMAHNONDOQY-KBPBESRZSA-N 0 1 388.339 3.334 20 0 GGADMN COc1cc(Br)c(CN2CCN(Cc3ccccc3)CC2)cc1O ZINC000491963525 566920543 /nfs/dbraw/zinc/92/05/43/566920543.db2.gz YYGZWPMQYFKQSN-UHFFFAOYSA-N 0 1 391.309 3.481 20 0 GGADMN CN(CC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@H]1CCSC1 ZINC000492013530 566920818 /nfs/dbraw/zinc/92/08/18/566920818.db2.gz KRZFDEBCEBXFDC-GJZGRUSLSA-N 0 1 379.595 3.165 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H]2c3cc(Br)ccc3CC2(C)C)no1 ZINC000429298834 566920862 /nfs/dbraw/zinc/92/08/62/566920862.db2.gz XZNKQSCREVIJLE-MRXNPFEDSA-N 0 1 378.270 3.019 20 0 GGADMN O=S1(=O)C[C@@H](N[C@@H]2CCc3cc(Br)ccc3C2)c2ccccc21 ZINC000583111163 566921359 /nfs/dbraw/zinc/92/13/59/566921359.db2.gz KDXUKDVSPLHEGJ-NVXWUHKLSA-N 0 1 392.318 3.425 20 0 GGADMN CN1CCCC[C@H]1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000680606703 566921866 /nfs/dbraw/zinc/92/18/66/566921866.db2.gz JFLZHWBMJVMOMO-KRWDZBQOSA-N 0 1 381.314 3.303 20 0 GGADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)s1 ZINC000680624834 566922835 /nfs/dbraw/zinc/92/28/35/566922835.db2.gz HKYDDFABNUVNCJ-JTQLQIEISA-N 0 1 398.472 3.489 20 0 GGADMN Fc1cc(Br)cc2c(NCc3nn[nH]n3)cc(C(F)(F)F)nc12 ZINC000680621419 566923154 /nfs/dbraw/zinc/92/31/54/566923154.db2.gz BHWIXOMDKHDBOA-UHFFFAOYSA-N 0 1 391.126 3.280 20 0 GGADMN O[C@H](CN[C@H]1CCOc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000583138915 566923383 /nfs/dbraw/zinc/92/33/83/566923383.db2.gz OQSHRLUUXBTIQI-PBHICJAKSA-N 0 1 396.256 3.441 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c(F)c1 ZINC000680624974 566923674 /nfs/dbraw/zinc/92/36/74/566923674.db2.gz JPBSEGOMLMYWBX-UHFFFAOYSA-N 0 1 382.379 3.328 20 0 GGADMN C[C@@](N)(C(=O)NCCCNc1ccccc1)c1ccc(Br)cc1 ZINC000583140754 566923829 /nfs/dbraw/zinc/92/38/29/566923829.db2.gz AYWZAUAUUQKQCY-SFHVURJKSA-N 0 1 376.298 3.241 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cc(I)ccc2Cl)n1 ZINC000471045853 566924462 /nfs/dbraw/zinc/92/44/62/566924462.db2.gz YMQKSXJKQWLVPS-UHFFFAOYSA-N 0 1 394.625 3.037 20 0 GGADMN COc1ccc(OC(F)F)c(NS(=O)(=O)CCc2ccc(F)cc2)c1 ZINC000656618902 566924796 /nfs/dbraw/zinc/92/47/96/566924796.db2.gz LRBSFOHPDKCJDE-UHFFFAOYSA-N 0 1 375.368 3.420 20 0 GGADMN CN(C)C(=O)N[C@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000452025781 566924854 /nfs/dbraw/zinc/92/48/54/566924854.db2.gz XNQRGUXCGMLIIH-LBPRGKRZSA-N 0 1 387.311 3.058 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)c2conc2C(C)(C)N)cc1Cl ZINC000583153860 566924867 /nfs/dbraw/zinc/92/48/67/566924867.db2.gz STKFBHLNLPCVLT-UHFFFAOYSA-N 0 1 388.251 3.453 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@H](c2nccn2C)C1 ZINC000519176758 566925106 /nfs/dbraw/zinc/92/51/06/566925106.db2.gz IJXFAXSAVKZEGS-AWEZNQCLSA-N 0 1 381.307 3.175 20 0 GGADMN CN1CCN(C)[C@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000492178283 566925813 /nfs/dbraw/zinc/92/58/13/566925813.db2.gz LERQPNVGOISAAI-YLJYHZDGSA-N 0 1 388.353 3.374 20 0 GGADMN CCCOc1ccc(Br)cc1C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000519167081 566926109 /nfs/dbraw/zinc/92/61/09/566926109.db2.gz DSYAJKWWVPYVTL-UHFFFAOYSA-N 0 1 386.286 3.304 20 0 GGADMN C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cn1 ZINC000583178965 566926609 /nfs/dbraw/zinc/92/66/09/566926609.db2.gz WHGCUJCJQRBJAS-RDTXWAMCSA-N 0 1 390.325 3.262 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(F)cc1OCC(F)F)C1CCCC1 ZINC000656626547 566926930 /nfs/dbraw/zinc/92/69/30/566926930.db2.gz LTYLPZFJGYTMKM-HNNXBMFYSA-N 0 1 381.416 3.417 20 0 GGADMN CN1CCN(C)[C@@H](CN[C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000492178280 566926882 /nfs/dbraw/zinc/92/68/82/566926882.db2.gz LERQPNVGOISAAI-FXAWDEMLSA-N 0 1 388.353 3.374 20 0 GGADMN C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)cn1 ZINC000583178962 566927044 /nfs/dbraw/zinc/92/70/44/566927044.db2.gz WHGCUJCJQRBJAS-KBXCAEBGSA-N 0 1 390.325 3.262 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)[C@H]1C(C)C ZINC000429361674 566927475 /nfs/dbraw/zinc/92/74/75/566927475.db2.gz LKDDFUFHKJGNOQ-LRDDRELGSA-N 0 1 380.286 3.345 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@H]1NCC(=O)Nc1nncs1 ZINC000429383314 566927623 /nfs/dbraw/zinc/92/76/23/566927623.db2.gz YEYNPUGOLZIWRX-CYBMUJFWSA-N 0 1 381.299 3.152 20 0 GGADMN CC(=O)[C@@H](NC(=O)CN[C@H]1c2cccc(Br)c2CC1(C)C)C(C)C ZINC000429411094 566929291 /nfs/dbraw/zinc/92/92/91/566929291.db2.gz SSKKOJSDVRGLIH-ROUUACIJSA-N 0 1 395.341 3.392 20 0 GGADMN CC(=O)[C@H](NC(=O)CN[C@H]1c2cccc(Br)c2CC1(C)C)C(C)C ZINC000429411092 566929402 /nfs/dbraw/zinc/92/94/02/566929402.db2.gz SSKKOJSDVRGLIH-MSOLQXFVSA-N 0 1 395.341 3.392 20 0 GGADMN COCCOc1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492271613 566929665 /nfs/dbraw/zinc/92/96/65/566929665.db2.gz GPMIIDONLSUVFO-SFHVURJKSA-N 0 1 398.272 3.437 20 0 GGADMN O=S(=O)(N[C@H](c1cccs1)C1(CO)CCC1)c1c(F)cc(F)cc1F ZINC000452074000 566930006 /nfs/dbraw/zinc/93/00/06/566930006.db2.gz AEQWNVJTKZESEU-OAHLLOKOSA-N 0 1 391.436 3.348 20 0 GGADMN COC(=O)C[C@H](NC(=O)c1cccc(Br)c1O)c1ccc(F)cc1 ZINC000519311848 566930944 /nfs/dbraw/zinc/93/09/44/566930944.db2.gz KXIHJXUHJXFMKO-AWEZNQCLSA-N 0 1 396.212 3.328 20 0 GGADMN OC[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(Br)c(F)c1 ZINC000492313976 566931763 /nfs/dbraw/zinc/93/17/63/566931763.db2.gz QRYBDYYSIRSSLM-HNNXBMFYSA-N 0 1 382.229 3.183 20 0 GGADMN C[C@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc(F)cc1F ZINC000656679374 566932042 /nfs/dbraw/zinc/93/20/42/566932042.db2.gz ORRBNPXUYUZEKQ-JTQLQIEISA-N 0 1 384.224 3.203 20 0 GGADMN CC(C)CN1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000519325783 566932159 /nfs/dbraw/zinc/93/21/59/566932159.db2.gz FDZLGHISALSGFK-UHFFFAOYSA-N 0 1 391.313 3.049 20 0 GGADMN O=C(CCNC(=O)[C@@H]1CCCc2[nH]cnc21)Nc1cc(Cl)cc(Cl)c1 ZINC000583224519 566932220 /nfs/dbraw/zinc/93/22/20/566932220.db2.gz SOSRDFGNOTWMSO-CYBMUJFWSA-N 0 1 381.263 3.281 20 0 GGADMN CC(C)c1nnc(CCNCc2cc3c(cc2Br)OCO3)s1 ZINC000492298023 566932456 /nfs/dbraw/zinc/93/24/56/566932456.db2.gz WERWCYLFJIECAI-UHFFFAOYSA-N 0 1 384.299 3.485 20 0 GGADMN C[S@](=O)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492334631 566932629 /nfs/dbraw/zinc/93/26/29/566932629.db2.gz OWHMTMWWNHGCKV-ZHRRBRCNSA-N 0 1 386.286 3.149 20 0 GGADMN CCOC(=O)COc1c(Br)cc(C)cc1CNCc1cc(C)n[nH]1 ZINC000611622312 566932546 /nfs/dbraw/zinc/93/25/46/566932546.db2.gz RGXCZNJZEQYDIG-UHFFFAOYSA-N 0 1 396.285 3.021 20 0 GGADMN COc1cccc(N2CC[C@@H](NC(=O)c3cccc(Br)c3O)C2)c1 ZINC000519333639 566933874 /nfs/dbraw/zinc/93/38/74/566933874.db2.gz DXMOHWAPMUAWDR-GFCCVEGCSA-N 0 1 391.265 3.172 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000452091075 566933930 /nfs/dbraw/zinc/93/39/30/566933930.db2.gz AVRVVJPRJUPQAD-NSHDSACASA-N 0 1 382.860 3.045 20 0 GGADMN O=C(CCc1c[nH]nn1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000633114002 566935177 /nfs/dbraw/zinc/93/51/77/566935177.db2.gz TVXPABKQQDNQMV-OAHLLOKOSA-N 0 1 388.269 3.175 20 0 GGADMN O=C(CCc1cnn[nH]1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000633114002 566935185 /nfs/dbraw/zinc/93/51/85/566935185.db2.gz TVXPABKQQDNQMV-OAHLLOKOSA-N 0 1 388.269 3.175 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)cc1C(F)(F)F ZINC000519375437 566935344 /nfs/dbraw/zinc/93/53/44/566935344.db2.gz OQEMNARUYBAPQP-CQSZACIVSA-N 0 1 376.444 3.263 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCNC(=O)C1CCC1 ZINC000429542292 566935273 /nfs/dbraw/zinc/93/52/73/566935273.db2.gz RMNDMTVLMSEBDG-CYBMUJFWSA-N 0 1 396.329 3.014 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000452098038 566935327 /nfs/dbraw/zinc/93/53/27/566935327.db2.gz SSSKHIAFYHCJTN-GFCCVEGCSA-N 0 1 384.851 3.462 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cccc(Br)c3)no2)[C@H](C)C1 ZINC000564005413 566935501 /nfs/dbraw/zinc/93/55/01/566935501.db2.gz OOWGYJHZDHOUTA-CHWSQXEVSA-N 0 1 379.302 3.414 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000452099315 566935508 /nfs/dbraw/zinc/93/55/08/566935508.db2.gz WMNMKBWMNPWGTH-LBPRGKRZSA-N 0 1 384.851 3.462 20 0 GGADMN O=C(CCc1c[nH]nn1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000633114001 566935551 /nfs/dbraw/zinc/93/55/51/566935551.db2.gz TVXPABKQQDNQMV-HNNXBMFYSA-N 0 1 388.269 3.175 20 0 GGADMN O=C(CCc1cnn[nH]1)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000633114001 566935557 /nfs/dbraw/zinc/93/55/57/566935557.db2.gz TVXPABKQQDNQMV-HNNXBMFYSA-N 0 1 388.269 3.175 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000611725198 566935574 /nfs/dbraw/zinc/93/55/74/566935574.db2.gz VHKCKTQJFQJHMB-MRXNPFEDSA-N 0 1 388.339 3.492 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000452098039 566935776 /nfs/dbraw/zinc/93/57/76/566935776.db2.gz SSSKHIAFYHCJTN-LBPRGKRZSA-N 0 1 384.851 3.462 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000471202544 566936386 /nfs/dbraw/zinc/93/63/86/566936386.db2.gz MNCOSUFZMNHANN-HNNXBMFYSA-N 0 1 379.302 3.271 20 0 GGADMN C[C@@H]1COCCN1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000633154678 566937100 /nfs/dbraw/zinc/93/71/00/566937100.db2.gz WLOMCJQNOTUJBU-LLVKDONJSA-N 0 1 375.271 3.458 20 0 GGADMN CCC[C@H]1CN(C(=O)c2c(C)cccc2Br)CCN1CCOC ZINC000564015085 566937109 /nfs/dbraw/zinc/93/71/09/566937109.db2.gz XIMDRWIRHMTJSO-HNNXBMFYSA-N 0 1 383.330 3.330 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000583285265 566937337 /nfs/dbraw/zinc/93/73/37/566937337.db2.gz QDHLSDJPKSHJBZ-SFHVURJKSA-N 0 1 378.563 3.388 20 0 GGADMN O=C(NCCCNc1noc2ccc(Br)cc21)c1cccc(F)c1 ZINC000564012546 566937474 /nfs/dbraw/zinc/93/74/74/566937474.db2.gz JKBACSMAVTVHTH-UHFFFAOYSA-N 0 1 392.228 3.383 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000583285264 566937853 /nfs/dbraw/zinc/93/78/53/566937853.db2.gz QDHLSDJPKSHJBZ-GOSISDBHSA-N 0 1 378.563 3.388 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ncc(Br)cc1C)C1CCCC1 ZINC000656730431 566939060 /nfs/dbraw/zinc/93/90/60/566939060.db2.gz IOYNHSOUWMKGNB-CYBMUJFWSA-N 0 1 377.304 3.099 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c(C)n1)C1CCCC1 ZINC000656727037 566939184 /nfs/dbraw/zinc/93/91/84/566939184.db2.gz FDTLPIIDZUKALV-ZDUSSCGKSA-N 0 1 377.304 3.099 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1cc(C)c(Br)cn1)C1CCCC1 ZINC000656726960 566939667 /nfs/dbraw/zinc/93/96/67/566939667.db2.gz CUIWDRVJBREBNX-ZDUSSCGKSA-N 0 1 377.304 3.099 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000544124625 566940586 /nfs/dbraw/zinc/94/05/86/566940586.db2.gz BVMYJAJLCCLVCE-GFCCVEGCSA-N 0 1 375.296 3.225 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000583320833 566941455 /nfs/dbraw/zinc/94/14/55/566941455.db2.gz QOSHPWVSRFWOLI-QGZVFWFLSA-N 0 1 377.257 3.481 20 0 GGADMN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc(Br)c3[O-])C2)C1 ZINC000452158516 566944596 /nfs/dbraw/zinc/94/45/96/566944596.db2.gz ZWCSMHULWCRQCO-INIZCTEOSA-N 0 1 387.705 3.366 20 0 GGADMN COC(=O)C[C@](C)(NCCOc1ccccc1Br)c1ccccn1 ZINC000429684104 566944599 /nfs/dbraw/zinc/94/45/99/566944599.db2.gz JSBYZYGRGFYATC-SFHVURJKSA-N 0 1 393.281 3.291 20 0 GGADMN CCN(CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1c(C)noc1C ZINC000656741267 566944585 /nfs/dbraw/zinc/94/45/85/566944585.db2.gz JLNDIJXRSLQTJO-UHFFFAOYSA-N 0 1 385.917 3.482 20 0 GGADMN CCN1CCN([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@H]1C ZINC000680985668 566945715 /nfs/dbraw/zinc/94/57/15/566945715.db2.gz MPBDQRPHRGXIRN-CRAIPNDOSA-N 0 1 394.357 3.279 20 0 GGADMN O[C@@H](CN[C@H]1COCc2ccccc21)COc1ccc(Br)cc1 ZINC000583377032 566945881 /nfs/dbraw/zinc/94/58/81/566945881.db2.gz UNCOFYXRLOUUSN-YJBOKZPZSA-N 0 1 378.266 3.050 20 0 GGADMN CCN1CCN([C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@@H]1C ZINC000680985669 566945786 /nfs/dbraw/zinc/94/57/86/566945786.db2.gz MPBDQRPHRGXIRN-MAUKXSAKSA-N 0 1 394.357 3.279 20 0 GGADMN COc1ccc(CCCNC(=O)[C@](C)(N)c2ccc(Br)cc2)cc1 ZINC000583378984 566946153 /nfs/dbraw/zinc/94/61/53/566946153.db2.gz YLZARFVCFKQYHM-LJQANCHMSA-N 0 1 391.309 3.381 20 0 GGADMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000564108651 566946268 /nfs/dbraw/zinc/94/62/68/566946268.db2.gz CZCBHJFQXZQHFP-DLBZAZTESA-N 0 1 376.243 3.371 20 0 GGADMN CC(=O)NCCN(CCc1ccncc1C)Cc1ccc(Br)s1 ZINC000583378439 566946269 /nfs/dbraw/zinc/94/62/69/566946269.db2.gz UEWSKOKIPWBMFM-UHFFFAOYSA-N 0 1 396.354 3.395 20 0 GGADMN CN(C(=O)c1ccc2cncn2c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000564108654 566946444 /nfs/dbraw/zinc/94/64/44/566946444.db2.gz CZCBHJFQXZQHFP-IRXDYDNUSA-N 0 1 376.243 3.371 20 0 GGADMN CSc1cc(Br)ccc1CNC[C@@H]1CCCCS1(=O)=O ZINC000544182183 566946452 /nfs/dbraw/zinc/94/64/52/566946452.db2.gz WPNMSGRXEQPQMA-ZDUSSCGKSA-N 0 1 378.357 3.228 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCOC[C@@H]1C1CCC1 ZINC000583383512 566946678 /nfs/dbraw/zinc/94/66/78/566946678.db2.gz IIOIRHBFBUXONU-QGZVFWFLSA-N 0 1 390.281 3.480 20 0 GGADMN CC[C@@H](NCc1cnc2c(C)cc(Br)cn12)[C@@H](O)C(F)(F)F ZINC000544179454 566946646 /nfs/dbraw/zinc/94/66/46/566946646.db2.gz SLXXXGPOMWUSDX-VXGBXAGGSA-N 0 1 380.208 3.197 20 0 GGADMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000680993259 566947681 /nfs/dbraw/zinc/94/76/81/566947681.db2.gz QOARSPACUMBMEY-WCQYABFASA-N 0 1 392.253 3.346 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)N3CC[C@H]4CCN(C)C[C@H]43)cc2s1 ZINC000493466673 566947709 /nfs/dbraw/zinc/94/77/09/566947709.db2.gz QRDAWGBUAVMJKD-CHWSQXEVSA-N 0 1 378.567 3.370 20 0 GGADMN O=C1[C@@H](NCc2c[nH]c3nccnc23)CCN1c1ccc(Cl)c(Cl)c1 ZINC000564137331 566948540 /nfs/dbraw/zinc/94/85/40/566948540.db2.gz LJKLPWDDVHNNIL-AWEZNQCLSA-N 0 1 376.247 3.111 20 0 GGADMN CN(C)S(=O)(=O)CCN[C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000519571462 566948900 /nfs/dbraw/zinc/94/89/00/566948900.db2.gz QPHJSPLUSCYHMH-GOSISDBHSA-N 0 1 384.904 3.244 20 0 GGADMN CCc1nc(CNC(=O)CSc2cc(C)c(Br)cc2C)n[nH]1 ZINC000452180064 566948901 /nfs/dbraw/zinc/94/89/01/566948901.db2.gz BASGCTAXOVTEOI-UHFFFAOYSA-N 0 1 383.315 3.155 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3ccc(Br)s3)no2)[C@H](C)C1 ZINC000519567981 566948994 /nfs/dbraw/zinc/94/89/94/566948994.db2.gz OSNVODFTQOTCFD-GHMZBOCLSA-N 0 1 385.331 3.475 20 0 GGADMN 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O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1Br ZINC000429848079 566957752 /nfs/dbraw/zinc/95/77/52/566957752.db2.gz DVWFFCVXIPHUMY-LLVKDONJSA-N 0 1 390.690 3.182 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCc2sc(Br)cc2C1 ZINC000681197019 566958218 /nfs/dbraw/zinc/95/82/18/566958218.db2.gz IUXJAYJWHFATCP-UHFFFAOYSA-N 0 1 389.278 3.494 20 0 GGADMN Cc1ccc(OCCNCCS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000583541937 566959716 /nfs/dbraw/zinc/95/97/16/566959716.db2.gz BRZYXWCVKQQHMF-UHFFFAOYSA-N 0 1 398.322 3.200 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000493911304 566960372 /nfs/dbraw/zinc/96/03/72/566960372.db2.gz ODBKKESLZLXCLG-SQNIBIBYSA-N 0 1 395.341 3.026 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000493911303 566960677 /nfs/dbraw/zinc/96/06/77/566960677.db2.gz ODBKKESLZLXCLG-KZNAEPCWSA-N 0 1 395.341 3.026 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000493917155 566960942 /nfs/dbraw/zinc/96/09/42/566960942.db2.gz 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NRBJVIDUPCTFSS-SSDOTTSWSA-N 0 1 390.196 3.441 20 0 GGADMN CC[C@@H](NCCNC(=O)c1cccc(Br)c1)c1ccc(F)cn1 ZINC000493987633 566965503 /nfs/dbraw/zinc/96/55/03/566965503.db2.gz ACNYGVZGRCHMBZ-OAHLLOKOSA-N 0 1 380.261 3.454 20 0 GGADMN COCC[C@@H](NC[C@H](O)COc1ccc(Br)cc1)c1ccc(C)o1 ZINC000544473022 566965749 /nfs/dbraw/zinc/96/57/49/566965749.db2.gz FBBRBFUSZFXYRA-DOTOQJQBSA-N 0 1 398.297 3.458 20 0 GGADMN CCOc1c(OC)cc(CN(C)CCn2cc(Br)cn2)cc1OC ZINC000564330243 566966075 /nfs/dbraw/zinc/96/60/75/566966075.db2.gz KUAGIEDKCKKSLX-UHFFFAOYSA-N 0 1 398.301 3.194 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccccc1O)c1ccc(OCC(F)(F)F)cc1 ZINC000656885685 566966382 /nfs/dbraw/zinc/96/63/82/566966382.db2.gz OETVJSFWMPTROX-LLVKDONJSA-N 0 1 375.368 3.373 20 0 GGADMN C[C@@H](C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C)c1ccc(Cl)s1 ZINC000633542214 566968493 /nfs/dbraw/zinc/96/84/93/566968493.db2.gz VAHSTRGASGEZJC-QLJPJBMISA-N 0 1 375.885 3.136 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CCN1C ZINC000544580510 566969518 /nfs/dbraw/zinc/96/95/18/566969518.db2.gz XELRPPSYRVVSAM-KGLIPLIRSA-N 0 1 382.961 3.450 20 0 GGADMN CC[C@H](NC[C@H](O)COc1ccccc1Br)c1ccc(F)cn1 ZINC000494040898 566969759 /nfs/dbraw/zinc/96/97/59/566969759.db2.gz UUVJXXOJNAAVDG-ZFWWWQNUSA-N 0 1 383.261 3.464 20 0 GGADMN CN1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1Br ZINC000681374109 566970059 /nfs/dbraw/zinc/97/00/59/566970059.db2.gz LPNCOSQEBKQAOC-CYBMUJFWSA-N 0 1 390.119 3.312 20 0 GGADMN CCN1CCN(Cc2ncc(Br)cc2Br)C[C@H]1C ZINC000681482874 566981584 /nfs/dbraw/zinc/98/15/84/566981584.db2.gz CMQIGBAHOWLRSI-SNVBAGLBSA-N 0 1 377.124 3.133 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1Cl)N[C@@H]1CCCN(CCCO)C1 ZINC000452377652 566970745 /nfs/dbraw/zinc/97/07/45/566970745.db2.gz ROHFEJVYPCZLGY-OAHLLOKOSA-N 0 1 391.364 3.190 20 0 GGADMN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452376237 566971147 /nfs/dbraw/zinc/97/11/47/566971147.db2.gz NYLNJBMWOHMAPN-AWEZNQCLSA-N 0 1 395.297 3.080 20 0 GGADMN COC(=O)C1(CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCCC1 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COC(=O)c1coc(CNCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000544613068 566973106 /nfs/dbraw/zinc/97/31/06/566973106.db2.gz NHZHZNKNWBSYJM-UHFFFAOYSA-N 0 1 378.734 3.302 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CCN(CC4CC4)CC3)c2o1 ZINC000429979309 566973218 /nfs/dbraw/zinc/97/32/18/566973218.db2.gz YRUWKANYVQPYIC-UHFFFAOYSA-N 0 1 393.285 3.458 20 0 GGADMN C[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCCCO1 ZINC000681395625 566973329 /nfs/dbraw/zinc/97/33/29/566973329.db2.gz HTKLUYCUAGBYGE-TUKIKUTGSA-N 0 1 388.327 3.215 20 0 GGADMN Fc1cc(Br)cnc1N1CCC(CCCN2CCOCC2)CC1 ZINC000681393719 566973585 /nfs/dbraw/zinc/97/35/85/566973585.db2.gz AWXYFKSZUHISPA-UHFFFAOYSA-N 0 1 386.309 3.312 20 0 GGADMN O=S1(=O)CC[C@H](N[C@H]2CCC(F)(F)C2)c2cc(Br)ccc21 ZINC000681396254 566974034 /nfs/dbraw/zinc/97/40/34/566974034.db2.gz SOAYCAMLPNSYCK-JQWIXIFHSA-N 0 1 380.254 3.445 20 0 GGADMN C[C@@](CO)(NCc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000564411776 566974291 /nfs/dbraw/zinc/97/42/91/566974291.db2.gz ZHFFKELYSIMUEQ-SFHVURJKSA-N 0 1 393.329 3.451 20 0 GGADMN O=S1(=O)CC[C@H](N[C@@H]2CCC(F)(F)C2)c2cc(Br)ccc21 ZINC000681396256 566974268 /nfs/dbraw/zinc/97/42/68/566974268.db2.gz SOAYCAMLPNSYCK-PWSUYJOCSA-N 0 1 380.254 3.445 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1cccc(F)c1 ZINC000583698667 566975035 /nfs/dbraw/zinc/97/50/35/566975035.db2.gz KQQLNMJMRQKCBG-KRWDZBQOSA-N 0 1 394.240 3.479 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCOCC2(CCCC2)C1 ZINC000681476488 566979068 /nfs/dbraw/zinc/97/90/68/566979068.db2.gz UIZAABRXSACCKH-UHFFFAOYSA-N 0 1 395.341 3.300 20 0 GGADMN CC(C)c1nc(CNC(=O)CCCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000452426777 566979276 /nfs/dbraw/zinc/97/92/76/566979276.db2.gz ZXTTUVRAPPQFCC-UHFFFAOYSA-N 0 1 393.285 3.360 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@H](Oc2ccccc2Br)C(C)C)n[nH]1 ZINC000452417288 566979568 /nfs/dbraw/zinc/97/95/68/566979568.db2.gz IVWAJCVXHXGYEO-OAHLLOKOSA-N 0 1 395.301 3.410 20 0 GGADMN O=C(Nc1nc2c(cccc2Br)s1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000583749415 566979716 /nfs/dbraw/zinc/97/97/16/566979716.db2.gz NPLIXTXDUFGLPN-QMMMGPOBSA-N 0 1 393.270 3.198 20 0 GGADMN CC(C)Oc1cc(Br)ccc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452419504 566979802 /nfs/dbraw/zinc/97/98/02/566979802.db2.gz CVZXEQDSHSNERP-UHFFFAOYSA-N 0 1 379.258 3.162 20 0 GGADMN Cc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)c2ccc(Br)cc2n1 ZINC000452419730 566980007 /nfs/dbraw/zinc/98/00/07/566980007.db2.gz QFBQFDJZXXWNNF-UHFFFAOYSA-N 0 1 388.269 3.477 20 0 GGADMN CN1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000583758339 566980164 /nfs/dbraw/zinc/98/01/64/566980164.db2.gz FIUINAZKRPKLMZ-IXDOHACOSA-N 0 1 381.314 3.033 20 0 GGADMN CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000583758339 566980169 /nfs/dbraw/zinc/98/01/69/566980169.db2.gz FIUINAZKRPKLMZ-IXDOHACOSA-N 0 1 381.314 3.033 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000564492908 566980135 /nfs/dbraw/zinc/98/01/35/566980135.db2.gz SPUQUTLDYCGAHM-NSHDSACASA-N 0 1 385.295 3.325 20 0 GGADMN C[C@@](N)(C(=O)Nc1nc2c(s1)C(=O)CCC2)c1ccc(Br)cc1 ZINC000583749828 566980561 /nfs/dbraw/zinc/98/05/61/566980561.db2.gz LXQFLDJLANXRMX-INIZCTEOSA-N 0 1 394.294 3.237 20 0 GGADMN CC(C)CN1CCN(C(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000519949760 566981495 /nfs/dbraw/zinc/98/14/95/566981495.db2.gz FIJUVWZSJKBCJL-UHFFFAOYSA-N 0 1 386.309 3.114 20 0 GGADMN CC(C)[C@@H](NCc1ncc(I)s1)C1(CO)CCC1 ZINC000430094411 566981665 /nfs/dbraw/zinc/98/16/65/566981665.db2.gz LRMFNALLEVDZLZ-GFCCVEGCSA-N 0 1 380.295 3.025 20 0 GGADMN CCOc1nc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3F)n2)co1 ZINC000681518520 566981900 /nfs/dbraw/zinc/98/19/00/566981900.db2.gz GUSSMXWWZSDBNW-UHFFFAOYSA-N 0 1 396.176 3.012 20 0 GGADMN C/C(=C\c1ccccc1C(F)(F)F)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430092031 566981919 /nfs/dbraw/zinc/98/19/19/566981919.db2.gz WFYCCFAWVUHWHW-VOMSXAGXSA-N 0 1 376.444 3.074 20 0 GGADMN C/C(=C/c1ccccc1C(F)(F)F)CN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430092033 566982112 /nfs/dbraw/zinc/98/21/12/566982112.db2.gz WFYCCFAWVUHWHW-WVUXNXBLSA-N 0 1 376.444 3.074 20 0 GGADMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(O)ccc2Br)C1 ZINC000430112348 566983663 /nfs/dbraw/zinc/98/36/63/566983663.db2.gz XFVKKNQZCAURQY-IBGZPJMESA-N 0 1 390.277 3.471 20 0 GGADMN CN(Cc1ccc(Sc2ccccc2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430111127 566983709 /nfs/dbraw/zinc/98/37/09/566983709.db2.gz NZWRMUGHCHHEAE-KRWDZBQOSA-N 0 1 376.547 3.304 20 0 GGADMN CCO[C@H]1COCC[C@@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000544706290 566983735 /nfs/dbraw/zinc/98/37/35/566983735.db2.gz PIFFVNOEBKTSSA-HOCLYGCPSA-N 0 1 380.286 3.123 20 0 GGADMN OCCN(Cc1cccc(F)c1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000494283734 566983803 /nfs/dbraw/zinc/98/38/03/566983803.db2.gz YGOSZYHLVZABRT-MRXNPFEDSA-N 0 1 388.266 3.367 20 0 GGADMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2cc(O)ccc2Br)C1 ZINC000430112351 566983908 /nfs/dbraw/zinc/98/39/08/566983908.db2.gz XFVKKNQZCAURQY-LJQANCHMSA-N 0 1 390.277 3.471 20 0 GGADMN CCCN(CC(N)=O)Cc1cc(Br)c(C)c(Br)c1 ZINC000430115722 566984689 /nfs/dbraw/zinc/98/46/89/566984689.db2.gz WEHZEWFMNYPJOV-UHFFFAOYSA-N 0 1 378.108 3.217 20 0 GGADMN CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000612682885 566988741 /nfs/dbraw/zinc/98/87/41/566988741.db2.gz RWAQAKWUJOYUDP-NSHDSACASA-N 0 1 379.258 3.413 20 0 GGADMN CCc1nncn1CCNCc1cc(C(F)(F)F)ccc1Br ZINC000583841562 566988849 /nfs/dbraw/zinc/98/88/49/566988849.db2.gz AIICJNLITFITKH-UHFFFAOYSA-N 0 1 377.208 3.412 20 0 GGADMN CC[C@H](C)C[C@H]1NC(=O)N(Cc2nc3cccc(Br)c3[nH]2)C1=O ZINC000564571084 566989153 /nfs/dbraw/zinc/98/91/53/566989153.db2.gz JZAHSFZDLNSAJD-JOYOIKCWSA-N 0 1 379.258 3.182 20 0 GGADMN CC[C@@H](C)C[C@@H]1NC(=O)N(Cc2nc3cccc(Br)c3[nH]2)C1=O ZINC000564571085 566989423 /nfs/dbraw/zinc/98/94/23/566989423.db2.gz JZAHSFZDLNSAJD-SKDRFNHKSA-N 0 1 379.258 3.182 20 0 GGADMN CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccccc1O ZINC000656985201 566990665 /nfs/dbraw/zinc/99/06/65/566990665.db2.gz BCZNSADWKSSEJN-UHFFFAOYSA-N 0 1 375.368 3.154 20 0 GGADMN O=S(=O)([N-]Cc1ccccc1C[NH+]1CCCC1)c1ccc(Br)o1 ZINC000544745421 566990895 /nfs/dbraw/zinc/99/08/95/566990895.db2.gz CUCCUJUCIADTKH-UHFFFAOYSA-N 0 1 399.310 3.116 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000583871741 566991276 /nfs/dbraw/zinc/99/12/76/566991276.db2.gz ZFDBHFZRDOLFFL-ONGXEEELSA-N 0 1 378.778 3.340 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000583871741 566991281 /nfs/dbraw/zinc/99/12/81/566991281.db2.gz ZFDBHFZRDOLFFL-ONGXEEELSA-N 0 1 378.778 3.340 20 0 GGADMN CC(C)(C)NS(=O)(=O)CCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000520236595 566991893 /nfs/dbraw/zinc/99/18/93/566991893.db2.gz JAVLEHIZRCSIJJ-UHFFFAOYSA-N 0 1 393.336 3.077 20 0 GGADMN Cc1nnc(SCCC(=O)N(C)Cc2ccc(Br)cc2F)[nH]1 ZINC000633761236 566993049 /nfs/dbraw/zinc/99/30/49/566993049.db2.gz OKZHVLXXYOXREX-UHFFFAOYSA-N 0 1 387.278 3.156 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1OC ZINC000520281307 566993300 /nfs/dbraw/zinc/99/33/00/566993300.db2.gz RPXWSZLSZYHNKR-UHFFFAOYSA-N 0 1 380.319 3.058 20 0 GGADMN CSc1cccc(C)c1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000471994217 566993666 /nfs/dbraw/zinc/99/36/66/566993666.db2.gz ZKEGTWQOEYZXMB-UHFFFAOYSA-N 0 1 385.532 3.230 20 0 GGADMN Cc1cc(C)c(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc1Br ZINC000681616900 566994722 /nfs/dbraw/zinc/99/47/22/566994722.db2.gz LRXLNAVZLWTZIP-UHFFFAOYSA-N 0 1 397.361 3.213 20 0 GGADMN OCCN(Cc1coc(-c2ccc(I)cc2)n1)CC1CC1 ZINC000564664101 566995716 /nfs/dbraw/zinc/99/57/16/566995716.db2.gz ZIZMBEWTLMFDCV-UHFFFAOYSA-N 0 1 398.244 3.151 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000564662103 566996464 /nfs/dbraw/zinc/99/64/64/566996464.db2.gz VLTRJMNTPVGALU-ZDUSSCGKSA-N 0 1 392.297 3.329 20 0 GGADMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Cl)c1Br ZINC000494384386 566997093 /nfs/dbraw/zinc/99/70/93/566997093.db2.gz HPZZPTBUHYCBBZ-NSHDSACASA-N 0 1 395.750 3.255 20 0 GGADMN C[N@H+]1CCCN(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000612806221 566997525 /nfs/dbraw/zinc/99/75/25/566997525.db2.gz XCSWFIMQOWYHIH-GDNZZTSVSA-N 0 1 375.357 3.243 20 0 GGADMN CSCC[C@H](NCc1ccc(Cl)c(Br)c1)C(=O)N(C)C ZINC000583957010 566997648 /nfs/dbraw/zinc/99/76/48/566997648.db2.gz FXLZPOCSGXJEAN-ZDUSSCGKSA-N 0 1 379.751 3.402 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CCNCc2ncc(Cl)s2)s1 ZINC000472068854 566998125 /nfs/dbraw/zinc/99/81/25/566998125.db2.gz GSLPNKCIWGVENK-UHFFFAOYSA-N 0 1 393.987 3.221 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Cc2c[nH]c3cc(Br)ccc23)[C@@H](C)C1 ZINC000583958123 566998261 /nfs/dbraw/zinc/99/82/61/566998261.db2.gz BNMWWSMHPHKDSG-STQMWFEESA-N 0 1 378.314 3.414 20 0 GGADMN O=S(=O)(c1ccccc1O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000657010281 566998346 /nfs/dbraw/zinc/99/83/46/566998346.db2.gz YKGANGBAESMTBV-ZDUSSCGKSA-N 0 1 383.267 3.076 20 0 GGADMN CC(C)N1CCc2nc(CN3C[C@H](C(F)(F)F)OC(C)(C)C3)sc2C1 ZINC000430199171 566998695 /nfs/dbraw/zinc/99/86/95/566998695.db2.gz BDFQXQQBVIKLJP-CQSZACIVSA-N 0 1 377.476 3.451 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H](C)O1 ZINC000520350394 566999755 /nfs/dbraw/zinc/99/97/55/566999755.db2.gz UPMDGBGXONIKNA-SMDDNHRTSA-N 0 1 378.270 3.479 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)NC1(C(F)(F)F)CCCCC1 ZINC000544838630 566999750 /nfs/dbraw/zinc/99/97/50/566999750.db2.gz BYAZNVJIMJZDFO-UHFFFAOYSA-N 0 1 383.363 3.156 20 0 GGADMN CCS(=O)(=O)NCCCN1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430216385 567000449 /nfs/dbraw/zinc/00/04/49/567000449.db2.gz GSEZRUJDZZJEAS-MRXNPFEDSA-N 0 1 389.359 3.224 20 0 GGADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCCC(F)(F)F ZINC000544845904 567000527 /nfs/dbraw/zinc/00/05/27/567000527.db2.gz AHWVGFOOXFGEFT-INIZCTEOSA-N 0 1 378.460 3.255 20 0 GGADMN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1c(O)cc(Cl)cc1Cl ZINC000564702220 567001295 /nfs/dbraw/zinc/00/12/95/567001295.db2.gz KRKTXVBUNVKTKL-SECBINFHSA-N 0 1 389.666 3.328 20 0 GGADMN CCC(CC)(C(=O)NC[C@H]1CN(C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000520377040 567001365 /nfs/dbraw/zinc/00/13/65/567001365.db2.gz ZEEQJXDSPOGYPX-HNNXBMFYSA-N 0 1 386.367 3.413 20 0 GGADMN CCCC(=O)NC1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000681711266 567001583 /nfs/dbraw/zinc/00/15/83/567001583.db2.gz HUARNNWXLJZKDB-UHFFFAOYSA-N 0 1 380.901 3.313 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000494480629 567003811 /nfs/dbraw/zinc/00/38/11/567003811.db2.gz XMEIMMGXCJIWTL-KGLIPLIRSA-N 0 1 391.313 3.190 20 0 GGADMN CC(C)(C)OC[C@@H](O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000520416535 567004927 /nfs/dbraw/zinc/00/49/27/567004927.db2.gz IHXGDLRZSCJNCB-AWEZNQCLSA-N 0 1 378.296 3.099 20 0 GGADMN CCC[C@]1(CO)CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000584017279 567005428 /nfs/dbraw/zinc/00/54/28/567005428.db2.gz KQWJTBMUTJTYGQ-AEFFLSMTSA-N 0 1 381.314 3.039 20 0 GGADMN Cc1cccc(CC[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000520418145 567005406 /nfs/dbraw/zinc/00/54/06/567005406.db2.gz XYIHORJNRZTHBX-ZWKOTPCHSA-N 0 1 389.293 3.495 20 0 GGADMN CCN(CCNC(=O)Nc1cc2c(cc1Cl)OCO2)CCC(F)(F)F ZINC000494507743 567005426 /nfs/dbraw/zinc/00/54/26/567005426.db2.gz AMPIJOCJVWBQOK-UHFFFAOYSA-N 0 1 381.782 3.465 20 0 GGADMN CCNC(=O)CN(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472149403 567005588 /nfs/dbraw/zinc/00/55/88/567005588.db2.gz BKYNMNIROZWZPP-UHFFFAOYSA-N 0 1 383.330 3.082 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000472181123 567006351 /nfs/dbraw/zinc/00/63/51/567006351.db2.gz GVQMMIZUFSBVJO-QWHCGFSZSA-N 0 1 397.957 3.292 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000472181123 567006355 /nfs/dbraw/zinc/00/63/55/567006355.db2.gz GVQMMIZUFSBVJO-QWHCGFSZSA-N 0 1 397.957 3.292 20 0 GGADMN O=C(NCCN1CCC1)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000430305181 567006779 /nfs/dbraw/zinc/00/67/79/567006779.db2.gz OZPBUGPSKWCDIF-MRXNPFEDSA-N 0 1 384.293 3.434 20 0 GGADMN CN(C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1ccc(F)cc1 ZINC000520453763 567006995 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C[NH+](C)C1(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCC1 ZINC000472205676 567009897 /nfs/dbraw/zinc/00/98/97/567009897.db2.gz LHCZTIQULYWQMM-UHFFFAOYSA-N 0 1 399.713 3.004 20 0 GGADMN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000584082971 567010020 /nfs/dbraw/zinc/01/00/20/567010020.db2.gz ULLXIKBDEALNTH-LLVKDONJSA-N 0 1 394.850 3.344 20 0 GGADMN CCN(CCNC(=O)Nc1cncc(Br)c1)CCC(F)(F)F ZINC000494576724 567010354 /nfs/dbraw/zinc/01/03/54/567010354.db2.gz CLKQQCNKHUEDDZ-UHFFFAOYSA-N 0 1 383.212 3.240 20 0 GGADMN C[C@H](C(=O)NCc1n[nH]c(C2CCOCC2)n1)c1c(Cl)cccc1Cl ZINC000634009673 567010748 /nfs/dbraw/zinc/01/07/48/567010748.db2.gz QYLRXLHTXGCECX-JTQLQIEISA-N 0 1 383.279 3.425 20 0 GGADMN CC(C)[C@@H](C(=O)Nc1nc(-c2ccc(Br)cn2)cs1)N(C)C ZINC000564806732 567011111 /nfs/dbraw/zinc/01/11/11/567011111.db2.gz YZAWJKONGTVOML-ZDUSSCGKSA-N 0 1 383.315 3.492 20 0 GGADMN COc1c(O)cccc1CNCCC(=O)Nc1ccc(Br)cc1 ZINC000494601078 567011482 /nfs/dbraw/zinc/01/14/82/567011482.db2.gz KZRARADRTAUUMO-UHFFFAOYSA-N 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378.925 3.442 20 0 GGADMN NC(=O)Nc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F ZINC000431165203 567061915 /nfs/dbraw/zinc/06/19/15/567061915.db2.gz DABPQZHNXYLBPW-UHFFFAOYSA-N 0 1 378.212 3.424 20 0 GGADMN Cc1c(Br)cncc1CN[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000657495482 567062767 /nfs/dbraw/zinc/06/27/67/567062767.db2.gz LCNIYZYHQKJGIG-MRXNPFEDSA-N 0 1 378.245 3.187 20 0 GGADMN C[C@H]1CN(C(=O)c2c(Cl)cccc2Br)CCN1CC(C)(C)O ZINC000613789884 567062829 /nfs/dbraw/zinc/06/28/29/567062829.db2.gz HDNRHDGJYHYZLO-NSHDSACASA-N 0 1 389.721 3.020 20 0 GGADMN C[C@@H]1C[C@@H](NCCOc2ccc(I)cc2)c2nccn21 ZINC000453206491 567062874 /nfs/dbraw/zinc/06/28/74/567062874.db2.gz FDNPTIUAFMAEKY-BXUZGUMPSA-N 0 1 383.233 3.162 20 0 GGADMN C[C@@H]1C[C@H](NCCOc2ccc(I)cc2)c2nccn21 ZINC000453206493 567063220 /nfs/dbraw/zinc/06/32/20/567063220.db2.gz FDNPTIUAFMAEKY-RISCZKNCSA-N 0 1 383.233 3.162 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000657507018 567063581 /nfs/dbraw/zinc/06/35/81/567063581.db2.gz AOOOJHJRCRLLQD-CYBMUJFWSA-N 0 1 397.953 3.481 20 0 GGADMN CCOC(=O)c1nn(C)cc1CN[C@@H](C)Cc1cc(Br)ccc1F ZINC000473117078 567063846 /nfs/dbraw/zinc/06/38/46/567063846.db2.gz JEOXVLZUAGZCGT-NSHDSACASA-N 0 1 398.276 3.219 20 0 GGADMN CN(C)c1ccc(-c2noc(CCCCc3cn[nH]n3)n2)cc1Br ZINC000453206049 567063901 /nfs/dbraw/zinc/06/39/01/567063901.db2.gz HGYUDOKBOXFCER-UHFFFAOYSA-N 0 1 391.273 3.249 20 0 GGADMN COC1(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCCC1 ZINC000453224185 567065142 /nfs/dbraw/zinc/06/51/42/567065142.db2.gz MIWCOMKIAFCCRD-SNVBAGLBSA-N 0 1 381.325 3.251 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(F)c(I)c1 ZINC000453234259 567065689 /nfs/dbraw/zinc/06/56/89/567065689.db2.gz ZSBFIBONJPEDQA-MNOVXSKESA-N 0 1 390.240 3.092 20 0 GGADMN COC1(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CCCC1 ZINC000453224183 567065881 /nfs/dbraw/zinc/06/58/81/567065881.db2.gz MIWCOMKIAFCCRD-JTQLQIEISA-N 0 1 381.325 3.251 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)o1 ZINC000682676768 567066074 /nfs/dbraw/zinc/06/60/74/567066074.db2.gz GLTBJCSJYRAQSU-UHFFFAOYSA-N 0 1 384.885 3.431 20 0 GGADMN CCC[C@H](CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000453250252 567067609 /nfs/dbraw/zinc/06/76/09/567067609.db2.gz MMYGXNRYOGPSCH-OCCSQVGLSA-N 0 1 376.316 3.072 20 0 GGADMN Cc1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000682711010 567067969 /nfs/dbraw/zinc/06/79/69/567067969.db2.gz SXPOJTPPMVKPMB-CYBMUJFWSA-N 0 1 382.295 3.493 20 0 GGADMN C[C@@H](NCCC(=O)Nc1cccc(Br)c1)c1nnc2ccccn21 ZINC000565447195 567068636 /nfs/dbraw/zinc/06/86/36/567068636.db2.gz JOFQZUUYKVPLHR-GFCCVEGCSA-N 0 1 388.269 3.171 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000473230227 567068840 /nfs/dbraw/zinc/06/88/40/567068840.db2.gz JXVPAFJAEWMRSR-HNNXBMFYSA-N 0 1 392.297 3.432 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)n[nH]1 ZINC000473224474 567069256 /nfs/dbraw/zinc/06/92/56/567069256.db2.gz SKIKLKFCFKYSLX-RBZYPMLTSA-N 0 1 393.285 3.262 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1Br ZINC000521604549 567069522 /nfs/dbraw/zinc/06/95/22/567069522.db2.gz HNESQIAVBFWHBB-LLVKDONJSA-N 0 1 385.331 3.390 20 0 GGADMN C[C@@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000565466347 567070173 /nfs/dbraw/zinc/07/01/73/567070173.db2.gz JRXISGAYRMLZAD-SSDOTTSWSA-N 0 1 376.408 3.138 20 0 GGADMN C[C@@H](Cc1cnccn1)NCc1c(Br)cncc1Br ZINC000453267850 567070626 /nfs/dbraw/zinc/07/06/26/567070626.db2.gz NAKSPNAVFWWOGD-VIFPVBQESA-N 0 1 386.091 3.117 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000565466348 567071246 /nfs/dbraw/zinc/07/12/46/567071246.db2.gz JRXISGAYRMLZAD-ZETCQYMHSA-N 0 1 376.408 3.138 20 0 GGADMN C[C@@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)N(C)Cc1ccccc1 ZINC000431287142 567071546 /nfs/dbraw/zinc/07/15/46/567071546.db2.gz JSFWXVGUBGASEG-AWEZNQCLSA-N 0 1 384.904 3.419 20 0 GGADMN CC(C)N1CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000496119509 567071584 /nfs/dbraw/zinc/07/15/84/567071584.db2.gz MDJJMBAXSCCUCQ-UHFFFAOYSA-N 0 1 389.721 3.424 20 0 GGADMN C[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1F)N(C)Cc1ccccc1 ZINC000431287143 567071927 /nfs/dbraw/zinc/07/19/27/567071927.db2.gz JSFWXVGUBGASEG-CQSZACIVSA-N 0 1 384.904 3.419 20 0 GGADMN CN(CCc1ccc(Br)cc1)CC(=O)NCCc1ccc(F)cc1 ZINC000521657370 567072045 /nfs/dbraw/zinc/07/20/45/567072045.db2.gz HBXXYSKUELWGFF-UHFFFAOYSA-N 0 1 393.300 3.421 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000657582006 567072682 /nfs/dbraw/zinc/07/26/82/567072682.db2.gz RVNXICSZSBBFNK-CHWSQXEVSA-N 0 1 383.945 3.237 20 0 GGADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(F)c(I)c1 ZINC000453287076 567073030 /nfs/dbraw/zinc/07/30/30/567073030.db2.gz YVEOYPGCRRPEIL-MRVPVSSYSA-N 0 1 386.212 3.277 20 0 GGADMN CC[C@H](CNS(C)(=O)=O)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000453282216 567073100 /nfs/dbraw/zinc/07/31/00/567073100.db2.gz LMUJYHFWOWNJJK-MFKMUULPSA-N 0 1 381.325 3.125 20 0 GGADMN CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000453282215 567073243 /nfs/dbraw/zinc/07/32/43/567073243.db2.gz LMUJYHFWOWNJJK-GXFFZTMASA-N 0 1 381.325 3.125 20 0 GGADMN CSc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000657581725 567073276 /nfs/dbraw/zinc/07/32/76/567073276.db2.gz KAZIQOHAPNVZFK-QWHCGFSZSA-N 0 1 383.945 3.237 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c(Cl)c1 ZINC000521669924 567073566 /nfs/dbraw/zinc/07/35/66/567073566.db2.gz SUZXECYGWCGVOW-UHFFFAOYSA-N 0 1 384.866 3.194 20 0 GGADMN COc1ccc(N2C[C@@H](NCc3cncc(Br)c3C)CC2=O)cc1 ZINC000657600655 567074234 /nfs/dbraw/zinc/07/42/34/567074234.db2.gz FEWJKNVVFKKJQS-AWEZNQCLSA-N 0 1 390.281 3.056 20 0 GGADMN C[C@@H](C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)N(C)C ZINC000682813400 567074484 /nfs/dbraw/zinc/07/44/84/567074484.db2.gz JRONYZNHQWFMKH-GUYCJALGSA-N 0 1 376.298 3.194 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1sccc1Br ZINC000473359045 567074680 /nfs/dbraw/zinc/07/46/80/567074680.db2.gz ALWQSSBVXCLXKU-GFCCVEGCSA-N 0 1 377.267 3.343 20 0 GGADMN CCCN(CCN(C)C)C(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 ZINC000496339148 567074902 /nfs/dbraw/zinc/07/49/02/567074902.db2.gz JOXFQBMHUMZJOU-AWEZNQCLSA-N 0 1 383.330 3.458 20 0 GGADMN CC(C)(C)c1nc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000565528829 567075478 /nfs/dbraw/zinc/07/54/78/567075478.db2.gz DVVDJUDFJIBIEJ-UHFFFAOYSA-N 0 1 377.297 3.029 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NC[C@@H]3CCCSC3)c12 ZINC000584842737 567075837 /nfs/dbraw/zinc/07/58/37/567075837.db2.gz FKIVCCYDDXRAEL-NSHDSACASA-N 0 1 380.539 3.315 20 0 GGADMN CC(=O)NCC[C@@H]1CCCN(Cc2cc(Br)cc3c2OCC3)C1 ZINC000584866072 567075921 /nfs/dbraw/zinc/07/59/21/567075921.db2.gz NIFOKHOMFATAMW-AWEZNQCLSA-N 0 1 381.314 3.122 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Br)ccc1F ZINC000473376299 567076638 /nfs/dbraw/zinc/07/66/38/567076638.db2.gz WUYHKLLNFCUWTH-HNNXBMFYSA-N 0 1 389.228 3.420 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Br)ccc1F ZINC000473376300 567076790 /nfs/dbraw/zinc/07/67/90/567076790.db2.gz WUYHKLLNFCUWTH-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000473373862 567077085 /nfs/dbraw/zinc/07/70/85/567077085.db2.gz RLXJWLMFGRPKQG-KGLIPLIRSA-N 0 1 389.323 3.066 20 0 GGADMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCC1CCC1 ZINC000521749147 567077902 /nfs/dbraw/zinc/07/79/02/567077902.db2.gz KWQGYPKBWZOQNZ-UHFFFAOYSA-N 0 1 381.299 3.243 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2OC)c(F)c1 ZINC000682872272 567077931 /nfs/dbraw/zinc/07/79/31/567077931.db2.gz PDZSYHQVWKKGGV-UHFFFAOYSA-N 0 1 380.319 3.058 20 0 GGADMN Fc1ccc(Br)c(F)c1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000565547360 567078040 /nfs/dbraw/zinc/07/80/40/567078040.db2.gz AGZFOJDJTZSMON-CYBMUJFWSA-N 0 1 389.284 3.414 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N2CCC3(CN(C)C3)C2)ccc1Br ZINC000614035608 567078660 /nfs/dbraw/zinc/07/86/60/567078660.db2.gz VKNJTMMLNIUSRW-UHFFFAOYSA-N 0 1 379.342 3.490 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(C)nc3ccc(Br)cc32)n[nH]1 ZINC000496598871 567078529 /nfs/dbraw/zinc/07/85/29/567078529.db2.gz LABGMVWIYQCSHA-JTQLQIEISA-N 0 1 388.269 3.477 20 0 GGADMN Cc1nnc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[nH]1 ZINC000473393200 567078555 /nfs/dbraw/zinc/07/85/55/567078555.db2.gz VFLWOHNMZOWBCJ-UHFFFAOYSA-N 0 1 384.849 3.155 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)n1 ZINC000473393200 567078559 /nfs/dbraw/zinc/07/85/59/567078559.db2.gz VFLWOHNMZOWBCJ-UHFFFAOYSA-N 0 1 384.849 3.155 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1cc(Br)cc(C(F)(F)F)c1)C2 ZINC000614038241 567078697 /nfs/dbraw/zinc/07/86/97/567078697.db2.gz MRRVOHUPWPUDBK-UHFFFAOYSA-N 0 1 377.204 3.246 20 0 GGADMN CN1CC2(C1)CCN(C(=O)CCOc1ccc(Cl)cc1Br)C2 ZINC000614039086 567078924 /nfs/dbraw/zinc/07/89/24/567078924.db2.gz MFTZWWWWXBHJHO-UHFFFAOYSA-N 0 1 387.705 3.036 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(Br)cc3)cc12 ZINC000545830461 567079027 /nfs/dbraw/zinc/07/90/27/567079027.db2.gz WRZOFTLGEKLDSS-UHFFFAOYSA-N 0 1 382.239 3.349 20 0 GGADMN Cc1ccccc1C[C@@H](NCc1nn(C)cc1I)C1CC1 ZINC000453361536 567079267 /nfs/dbraw/zinc/07/92/67/567079267.db2.gz KIOYVHCTMSADPA-MRXNPFEDSA-N 0 1 395.288 3.444 20 0 GGADMN Cc1cccc(I)c1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000496736386 567079720 /nfs/dbraw/zinc/07/97/20/567079720.db2.gz HWJGANLGXIGHGT-JTQLQIEISA-N 0 1 398.248 3.332 20 0 GGADMN C[C@H](NCC(C)(C)C(C)(C)O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453365251 567079731 /nfs/dbraw/zinc/07/97/31/567079731.db2.gz RGUHVNYNSAJEPG-VIFPVBQESA-N 0 1 383.341 3.089 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cscc2Cl)C1 ZINC000635049097 567080091 /nfs/dbraw/zinc/08/00/91/567080091.db2.gz WIVVDAGHDPXZDP-OCCSQVGLSA-N 0 1 377.897 3.292 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cscc2Cl)C1 ZINC000635049091 567080400 /nfs/dbraw/zinc/08/04/00/567080400.db2.gz WIVVDAGHDPXZDP-GXTWGEPZSA-N 0 1 377.897 3.292 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(Cl)c3c(c2)OCCCO3)CCCCC1 ZINC000657652662 567080411 /nfs/dbraw/zinc/08/04/11/567080411.db2.gz CLTUKHIVVYOXJH-UHFFFAOYSA-N 0 1 387.929 3.338 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)NCC[N@@H+]2CC=C(C)CC2)c(Br)c1 ZINC000545861683 567081279 /nfs/dbraw/zinc/08/12/79/567081279.db2.gz XUASLCWYEZXZPP-HNNXBMFYSA-N 0 1 381.314 3.293 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)NCCN2CC=C(C)CC2)c(Br)c1 ZINC000545861683 567081284 /nfs/dbraw/zinc/08/12/84/567081284.db2.gz XUASLCWYEZXZPP-HNNXBMFYSA-N 0 1 381.314 3.293 20 0 GGADMN CN(C)[C@@H](CNC(=O)CC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000635108471 567081290 /nfs/dbraw/zinc/08/12/90/567081290.db2.gz NQLLIBPOURNGQU-AWEZNQCLSA-N 0 1 377.476 3.131 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(F)cc(Br)c2)CCCCC1 ZINC000657656405 567082290 /nfs/dbraw/zinc/08/22/90/567082290.db2.gz MCPQADXHFVUMLD-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN Cc1n[n-]c(=NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)s1 ZINC000521861225 567082758 /nfs/dbraw/zinc/08/27/58/567082758.db2.gz HVGLABCJBMVHCU-HNNXBMFYSA-N 0 1 379.917 3.098 20 0 GGADMN Cc1n[n-]c(=NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)s1 ZINC000521861225 567082762 /nfs/dbraw/zinc/08/27/62/567082762.db2.gz HVGLABCJBMVHCU-HNNXBMFYSA-N 0 1 379.917 3.098 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(Br)ccc2F)CCCCC1 ZINC000657654512 567082895 /nfs/dbraw/zinc/08/28/95/567082895.db2.gz ZJWRBQDJMPRUST-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN COc1ccc(Br)cc1C[C@H](CO)CN[C@H](C)c1cc(C)on1 ZINC000453382535 567083044 /nfs/dbraw/zinc/08/30/44/567083044.db2.gz RTWIRTQWZGGDPD-OLZOCXBDSA-N 0 1 383.286 3.256 20 0 GGADMN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(OC)cc2Cl)cc1F ZINC000565620451 567083069 /nfs/dbraw/zinc/08/30/69/567083069.db2.gz KQLSPELKYCESLO-UHFFFAOYSA-N 0 1 391.779 3.214 20 0 GGADMN CSc1ccc([C@H](CNC(=O)C(=O)Nc2csc(C)c2)N(C)C)cc1 ZINC000635176935 567083383 /nfs/dbraw/zinc/08/33/83/567083383.db2.gz CTRSFFQWSOLOFW-INIZCTEOSA-N 0 1 377.535 3.136 20 0 GGADMN C[C@@H](NCCOCC1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453381529 567083664 /nfs/dbraw/zinc/08/36/64/567083664.db2.gz BDKNZGGEOKKJJJ-LLVKDONJSA-N 0 1 395.352 3.498 20 0 GGADMN Cc1c([C@H](C)NC[C@@H](O)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000453378683 567083728 /nfs/dbraw/zinc/08/37/28/567083728.db2.gz JFIJXALDMODITF-MEDUHNTESA-N 0 1 379.302 3.150 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000521876627 567084116 /nfs/dbraw/zinc/08/41/16/567084116.db2.gz NVHYULNIQINWSG-RBSFLKMASA-N 0 1 397.361 3.176 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000521876625 567084560 /nfs/dbraw/zinc/08/45/60/567084560.db2.gz NVHYULNIQINWSG-KFWWJZLASA-N 0 1 397.361 3.176 20 0 GGADMN COc1ccc(Br)cc1C[C@@H](CO)CN[C@H](C)c1nccs1 ZINC000453389206 567085245 /nfs/dbraw/zinc/08/52/45/567085245.db2.gz WWMLHBLWRFCDON-VXGBXAGGSA-N 0 1 385.327 3.416 20 0 GGADMN CCc1ncc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000545890514 567085634 /nfs/dbraw/zinc/08/56/34/567085634.db2.gz LTSYLCQBKWTZSX-HOCLYGCPSA-N 0 1 379.551 3.037 20 0 GGADMN CCc1ncc(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)s1 ZINC000545891030 567085833 /nfs/dbraw/zinc/08/58/33/567085833.db2.gz MLQCZFHAUJVYQC-AWEZNQCLSA-N 0 1 379.551 3.209 20 0 GGADMN CC[C@H](Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1)C(=O)OC ZINC000473513749 567085941 /nfs/dbraw/zinc/08/59/41/567085941.db2.gz PHWVWNXWFRYOEI-NSHDSACASA-N 0 1 386.271 3.287 20 0 GGADMN O=C(c1ccc(CNCc2sccc2Br)cc1)N1CCOCC1 ZINC000545903925 567087331 /nfs/dbraw/zinc/08/73/31/567087331.db2.gz RVNYIRWUUQFSDZ-UHFFFAOYSA-N 0 1 395.322 3.273 20 0 GGADMN O=C(Cc1csc2ccc(Br)cc12)NCCCc1nc[nH]n1 ZINC000565663937 567087519 /nfs/dbraw/zinc/08/75/19/567087519.db2.gz IOFAREDGRBTMTI-UHFFFAOYSA-N 0 1 379.283 3.073 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)c(Br)c1 ZINC000585765988 567087681 /nfs/dbraw/zinc/08/76/81/567087681.db2.gz UTULGTPHATZANV-CQSZACIVSA-N 0 1 378.270 3.338 20 0 GGADMN O=C(Nc1nnc(C2CCOCC2)s1)c1ccc(Br)cc1O ZINC000521933783 567088288 /nfs/dbraw/zinc/08/82/88/567088288.db2.gz HSFLDIJYHXAEMD-UHFFFAOYSA-N 0 1 384.255 3.153 20 0 GGADMN COc1ccc(C(=O)COc2ccc(F)cc2Br)c2c1C(=O)CO2 ZINC000521943816 567088339 /nfs/dbraw/zinc/08/83/39/567088339.db2.gz RSFNDOQWCOGZDJ-UHFFFAOYSA-N 0 1 395.180 3.434 20 0 GGADMN COC(=O)c1ccc(CNCCOc2ccc(OC)cc2)c(Br)c1 ZINC000585766667 567088966 /nfs/dbraw/zinc/08/89/66/567088966.db2.gz AQWBNTZPENUPMH-UHFFFAOYSA-N 0 1 394.265 3.413 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000545945754 567089822 /nfs/dbraw/zinc/08/98/22/567089822.db2.gz ORHMUGNVVCUCGY-GFCCVEGCSA-N 0 1 384.270 3.349 20 0 GGADMN COC(=O)c1ccc(CN2CCC([C@H]3CCOC3)CC2)c(Br)c1 ZINC000585767352 567089754 /nfs/dbraw/zinc/08/97/54/567089754.db2.gz UFKXQDDZTYVZTN-INIZCTEOSA-N 0 1 382.298 3.484 20 0 GGADMN CNC(=O)c1cc2cc(NC(=O)c3ccc(Br)c(O)c3)ccc2[nH]1 ZINC000473577965 567090460 /nfs/dbraw/zinc/09/04/60/567090460.db2.gz VNGUTBNMFAUUCU-UHFFFAOYSA-N 0 1 388.221 3.248 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCC(CCO)CC3)C2=O)ccc1Br ZINC000545930335 567090556 /nfs/dbraw/zinc/09/05/56/567090556.db2.gz LXMFRCBRMAZEJU-GOSISDBHSA-N 0 1 395.341 3.347 20 0 GGADMN 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1 389.240 3.294 20 0 GGADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cccc(Cl)c1Br ZINC000683143654 567098276 /nfs/dbraw/zinc/09/82/76/567098276.db2.gz AWDHCZRFMOBKHS-NSHDSACASA-N 0 1 395.750 3.255 20 0 GGADMN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cc2ccncc2s1 ZINC000657830534 567098775 /nfs/dbraw/zinc/09/87/75/567098775.db2.gz JYJSLHCMOMWWBT-CYBMUJFWSA-N 0 1 375.519 3.397 20 0 GGADMN CCN(CCNC(=O)N[C@@H]1COc2c1cccc2Cl)CCC(F)(F)F ZINC000683157737 567099512 /nfs/dbraw/zinc/09/95/12/567099512.db2.gz NLYRXHQXJUKOEP-CYBMUJFWSA-N 0 1 379.810 3.347 20 0 GGADMN CC(C)CN1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000431655135 567099643 /nfs/dbraw/zinc/09/96/43/567099643.db2.gz LHEOYSIXSZIZQL-UHFFFAOYSA-N 0 1 391.313 3.049 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2ccn(-c3cccc(Br)c3)n2)[C@H](C)C1 ZINC000565798431 567099812 /nfs/dbraw/zinc/09/98/12/567099812.db2.gz ZCACZCALTVQRLO-ZIAGYGMSSA-N 0 1 391.313 3.190 20 0 GGADMN O=C(Nc1nc2ccccc2[nH]1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000522149326 567101540 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GGADMN O=S(=O)(NC1(c2ccccc2)CCOCC1)c1ccc(Br)o1 ZINC000546064608 567102343 /nfs/dbraw/zinc/10/23/43/567102343.db2.gz NYDJFFKHYVIPPK-UHFFFAOYSA-N 0 1 386.267 3.026 20 0 GGADMN C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546069835 567102363 /nfs/dbraw/zinc/10/23/63/567102363.db2.gz YOKZNXFCQZTNTM-IIAWOOMASA-N 0 1 378.460 3.157 20 0 GGADMN CCCc1cc(C(=O)N(CCOC)Cc2cc(Br)cs2)n[nH]1 ZINC000683182826 567102491 /nfs/dbraw/zinc/10/24/91/567102491.db2.gz QXTFLOGXASLPAO-UHFFFAOYSA-N 0 1 386.315 3.475 20 0 GGADMN CC(C)[C@](C)(O)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000473792610 567102974 /nfs/dbraw/zinc/10/29/74/567102974.db2.gz ZISUDBHSIIBDOH-INIZCTEOSA-N 0 1 386.470 3.034 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000497514275 567103043 /nfs/dbraw/zinc/10/30/43/567103043.db2.gz DZIDQJWEDCOBJZ-ZIAGYGMSSA-N 0 1 389.359 3.299 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1Br ZINC000614324935 567103121 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COc1cc(Br)cc(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC000546181605 567112924 /nfs/dbraw/zinc/11/29/24/567112924.db2.gz VENZKUAVPIQDAA-UHFFFAOYSA-N 0 1 396.266 3.443 20 0 GGADMN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000614473259 567113663 /nfs/dbraw/zinc/11/36/63/567113663.db2.gz HYGWPULOEFNPGB-UHFFFAOYSA-N 0 1 386.235 3.257 20 0 GGADMN Cc1cccc(Br)c1C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614453371 567113691 /nfs/dbraw/zinc/11/36/91/567113691.db2.gz XAISVJHCBKFNBG-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN O=C(c1cc2cc(Br)sc2[nH]1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000614474078 567113755 /nfs/dbraw/zinc/11/37/55/567113755.db2.gz OZCMQLNWGPQXJT-UHFFFAOYSA-N 0 1 397.254 3.100 20 0 GGADMN CC1CCC(N2CCN(C(=O)c3[nH]nc(C4CC4)c3Br)CC2)CC1 ZINC000522348364 567113896 /nfs/dbraw/zinc/11/38/96/567113896.db2.gz JMMKUEUTZICSIW-UHFFFAOYSA-N 0 1 395.345 3.386 20 0 GGADMN Cc1cccc(Br)c1C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614453370 567114445 /nfs/dbraw/zinc/11/44/45/567114445.db2.gz XAISVJHCBKFNBG-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN CC1CCN(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000473917976 567114707 /nfs/dbraw/zinc/11/47/07/567114707.db2.gz FSFUASGNPGDZQL-QGZVFWFLSA-N 0 1 381.314 3.081 20 0 GGADMN C[C@H](C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)N(C)C ZINC000635852323 567115054 /nfs/dbraw/zinc/11/50/54/567115054.db2.gz JRONYZNHQWFMKH-DYVFJYSZSA-N 0 1 376.298 3.194 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1)N(C)C ZINC000635850114 567115369 /nfs/dbraw/zinc/11/53/69/567115369.db2.gz JRIQUGPCVUOHKS-BXUZGUMPSA-N 0 1 393.285 3.113 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2CCCCC2)cc1Cl ZINC000473937192 567117150 /nfs/dbraw/zinc/11/71/50/567117150.db2.gz BQRWBMBSYCIWRH-LLVKDONJSA-N 0 1 381.325 3.155 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1C ZINC000614520831 567117424 /nfs/dbraw/zinc/11/74/24/567117424.db2.gz ICXPYLHAGPTONF-MRXNPFEDSA-N 0 1 395.341 3.250 20 0 GGADMN CN(C)C1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC000497695907 567117409 /nfs/dbraw/zinc/11/74/09/567117409.db2.gz IQPMRXKSORYQCZ-UHFFFAOYSA-N 0 1 376.254 3.022 20 0 GGADMN O=C(Nc1cc(F)c(Br)cc1Cl)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566006323 567117964 /nfs/dbraw/zinc/11/79/64/567117964.db2.gz YKFHVLOEDJDTNH-SSDOTTSWSA-N 0 1 388.628 3.381 20 0 GGADMN O=C1[C@@H](N2CCC([C@H]3CCOC3)CC2)CCN1c1cccc(Br)c1 ZINC000683369629 567118743 /nfs/dbraw/zinc/11/87/43/567118743.db2.gz RNDGIGRSBJQAFA-YJBOKZPZSA-N 0 1 393.325 3.303 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1Br ZINC000473950650 567118693 /nfs/dbraw/zinc/11/86/93/567118693.db2.gz QNXIDDVQEHAVFW-GXTWGEPZSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1cc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)sc1Cl ZINC000473953898 567119672 /nfs/dbraw/zinc/11/96/72/567119672.db2.gz VSXGYFHFQZQWPK-UHFFFAOYSA-N 0 1 376.906 3.389 20 0 GGADMN COC(=O)CC1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000497727382 567119919 /nfs/dbraw/zinc/11/99/19/567119919.db2.gz LAKAXBDHQJLXTN-UHFFFAOYSA-N 0 1 387.307 3.227 20 0 GGADMN O=C(CCn1cc(Cl)cn1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000614544336 567119905 /nfs/dbraw/zinc/11/99/05/567119905.db2.gz GAIYQOWKMLXBAY-UHFFFAOYSA-N 0 1 395.648 3.113 20 0 GGADMN COc1ccc(CNCC(=O)Nc2ccc(Br)cc2C)cc1O ZINC000497705146 567120177 /nfs/dbraw/zinc/12/01/77/567120177.db2.gz MAVHHLRPNCCFEW-UHFFFAOYSA-N 0 1 379.254 3.200 20 0 GGADMN C[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1cccc(F)c1F ZINC000658092586 567121799 /nfs/dbraw/zinc/12/17/99/567121799.db2.gz OCUMHSOBUCBHLS-SNVBAGLBSA-N 0 1 384.224 3.203 20 0 GGADMN C[C@H](NCCNC(=O)c1ccc(Br)cn1)c1cccc(F)c1F ZINC000658092584 567122409 /nfs/dbraw/zinc/12/24/09/567122409.db2.gz OCUMHSOBUCBHLS-JTQLQIEISA-N 0 1 384.224 3.203 20 0 GGADMN Cc1ccc(Br)cc1-c1nnc(N2CC[C@@H](c3nc[nH]n3)C2)s1 ZINC000566064640 567122817 /nfs/dbraw/zinc/12/28/17/567122817.db2.gz RHFPGMDLCWAJPP-SNVBAGLBSA-N 0 1 391.298 3.388 20 0 GGADMN O=S(=O)(NCc1ccccc1OC(F)(F)F)c1c(F)cc(F)cc1F ZINC000497764139 567122890 /nfs/dbraw/zinc/12/28/90/567122890.db2.gz CEQNRMOTGBMJDH-UHFFFAOYSA-N 0 1 385.285 3.481 20 0 GGADMN Cc1[nH]ncc1CN(C)C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000636066742 567123113 /nfs/dbraw/zinc/12/31/13/567123113.db2.gz OPDYKNIQYLKERL-UHFFFAOYSA-N 0 1 375.523 3.480 20 0 GGADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(Br)sc1Br ZINC000522634072 567123402 /nfs/dbraw/zinc/12/34/02/567123402.db2.gz KJQYFNODZCBTLP-QMMMGPOBSA-N 0 1 396.148 3.439 20 0 GGADMN O=S(=O)(NCc1ccc(OC(F)(F)F)cc1)c1c(F)cc(F)cc1F ZINC000497788510 567124766 /nfs/dbraw/zinc/12/47/66/567124766.db2.gz SKKNCUPMWVPPBM-UHFFFAOYSA-N 0 1 385.285 3.481 20 0 GGADMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000658123860 567124873 /nfs/dbraw/zinc/12/48/73/567124873.db2.gz BJIDAMKATAZUAH-VIFPVBQESA-N 0 1 376.259 3.060 20 0 GGADMN Cc1[nH]ncc1CN(C)C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000636078222 567125141 /nfs/dbraw/zinc/12/51/41/567125141.db2.gz OSFSEFYGWUMVDG-UHFFFAOYSA-N 0 1 392.297 3.187 20 0 GGADMN O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000588310802 567125279 /nfs/dbraw/zinc/12/52/79/567125279.db2.gz CVQFIOOXPGHGPS-SJORKVTESA-N 0 1 378.314 3.042 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000588311401 567125547 /nfs/dbraw/zinc/12/55/47/567125547.db2.gz UZSSVPSAKIWPMH-IRXDYDNUSA-N 0 1 380.330 3.288 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](C)C2(CO)CC2)nnn1-c1cccc(Br)c1 ZINC000658158765 567125666 /nfs/dbraw/zinc/12/56/66/567125666.db2.gz DPWFDEWEVACXTP-YPMHNXCESA-N 0 1 379.302 3.150 20 0 GGADMN COc1ccc(N2C[C@@H](N[C@@H](C)c3ccc(Br)cn3)CC2=O)cc1 ZINC000658154481 567126549 /nfs/dbraw/zinc/12/65/49/567126549.db2.gz HZJJEZMNWBKHJH-JSGCOSHPSA-N 0 1 390.281 3.309 20 0 GGADMN COCCN1CC[C@H](NC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000497852520 567127471 /nfs/dbraw/zinc/12/74/71/567127471.db2.gz JPNHUBQQNUYORU-ZDUSSCGKSA-N 0 1 386.323 3.388 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000683481448 567127773 /nfs/dbraw/zinc/12/77/73/567127773.db2.gz RFDINEPRFDQDGC-LLVKDONJSA-N 0 1 393.684 3.082 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000614627296 567127750 /nfs/dbraw/zinc/12/77/50/567127750.db2.gz WWCCYDDLJAOWKM-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN C[C@H]1COCCN1CCN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000497837300 567127858 /nfs/dbraw/zinc/12/78/58/567127858.db2.gz SFQHOJIBTQLOFQ-KBXCAEBGSA-N 0 1 379.298 3.442 20 0 GGADMN C[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000566119828 567128177 /nfs/dbraw/zinc/12/81/77/567128177.db2.gz ACWNAQAMNAUFRF-GXTWGEPZSA-N 0 1 390.281 3.416 20 0 GGADMN COc1cc(C)cc(CNCCS(=O)(=O)c2cccc(Br)c2)c1 ZINC000566117073 567128383 /nfs/dbraw/zinc/12/83/83/567128383.db2.gz ZFUDTHXRZIAGKM-UHFFFAOYSA-N 0 1 398.322 3.330 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl ZINC000497869337 567129817 /nfs/dbraw/zinc/12/98/17/567129817.db2.gz RAWWHCINZUERNE-OAHLLOKOSA-N 0 1 379.913 3.322 20 0 GGADMN Fc1ccc(Br)cc1-c1nnc(N2CC[C@H](c3nc[nH]n3)C2)s1 ZINC000566135401 567130303 /nfs/dbraw/zinc/13/03/03/567130303.db2.gz NRSIMKGVXDVNCB-QMMMGPOBSA-N 0 1 395.261 3.219 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccoc3Br)n2)cc1OC ZINC000683534607 567130988 /nfs/dbraw/zinc/13/09/88/567130988.db2.gz XHHSVDVYEWRNQP-UHFFFAOYSA-N 0 1 393.197 3.097 20 0 GGADMN O=C(NCC1(c2ccc(Br)s2)CCC1)[C@H]1CCCc2n[nH]nc21 ZINC000614680751 567131739 /nfs/dbraw/zinc/13/17/39/567131739.db2.gz ZOAPCQRMBBFKGK-JTQLQIEISA-N 0 1 395.326 3.287 20 0 GGADMN Cc1c([C@@H](C)NC[C@@H](CO)CC2CC2)nnn1-c1cccc(Br)c1 ZINC000658248596 567131890 /nfs/dbraw/zinc/13/18/90/567131890.db2.gz PSIUJTIIQQKWBQ-DOMZBBRYSA-N 0 1 393.329 3.397 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474095588 567132227 /nfs/dbraw/zinc/13/22/27/567132227.db2.gz HTQZTYADVOAYIZ-CABCVRRESA-N 0 1 379.291 3.499 20 0 GGADMN CCOC[C@@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000474091811 567132632 /nfs/dbraw/zinc/13/26/32/567132632.db2.gz YOAANWRHVUBBPG-LSDHHAIUSA-N 0 1 390.343 3.318 20 0 GGADMN CN(CCc1ccc(Br)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000522833163 567132785 /nfs/dbraw/zinc/13/27/85/567132785.db2.gz NHHIVUNNOZWYEZ-ZDUSSCGKSA-N 0 1 379.220 3.087 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000522824041 567132803 /nfs/dbraw/zinc/13/28/03/567132803.db2.gz OSHPKHJDHNVIHF-LBPRGKRZSA-N 0 1 379.381 3.117 20 0 GGADMN COc1cc(F)c(S(=O)(=O)NCc2ccccc2C(F)(F)F)c(F)c1 ZINC000588682016 567133178 /nfs/dbraw/zinc/13/31/78/567133178.db2.gz LFXANWZSYZXWJN-UHFFFAOYSA-N 0 1 381.322 3.471 20 0 GGADMN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000522881125 567134692 /nfs/dbraw/zinc/13/46/92/567134692.db2.gz KAOKVRSBVKLTMR-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000497953562 567135204 /nfs/dbraw/zinc/13/52/04/567135204.db2.gz WMBWWVRMWHKLFQ-JTQLQIEISA-N 0 1 387.303 3.039 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCN(C)C1 ZINC000658354547 567135182 /nfs/dbraw/zinc/13/51/82/567135182.db2.gz DINJZXMFYSHGSQ-SECBINFHSA-N 0 1 378.687 3.138 20 0 GGADMN C[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ncc(Br)cc1F ZINC000658316632 567135577 /nfs/dbraw/zinc/13/55/77/567135577.db2.gz UMBJFXBHELUGHZ-ZBEGNZNMSA-N 0 1 375.282 3.202 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccc(Br)cc1C(C)C)[C@H]1CCN(C)C1 ZINC000658359379 567135982 /nfs/dbraw/zinc/13/59/82/567135982.db2.gz CTCFBXCWFNQVGH-AWEZNQCLSA-N 0 1 396.329 3.064 20 0 GGADMN C[C@@H]1CC[C@H](NC(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000474120427 567137374 /nfs/dbraw/zinc/13/73/74/567137374.db2.gz YCQFRDWGPVCLKQ-KOLCDFICSA-N 0 1 396.228 3.051 20 0 GGADMN CC1=CCN(CCNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000546576487 567139799 /nfs/dbraw/zinc/13/97/99/567139799.db2.gz XTEMVCRGUXJQBS-UHFFFAOYSA-N 0 1 380.261 3.451 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ncc(C(=O)[O-])s1 ZINC000566238827 567140271 /nfs/dbraw/zinc/14/02/71/567140271.db2.gz HOZPSLARPLZJQB-MRVPVSSYSA-N 0 1 399.266 3.226 20 0 GGADMN O=S(=O)([N-][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)sc1Cl ZINC000658403033 567140761 /nfs/dbraw/zinc/14/07/61/567140761.db2.gz YLIOEQJVBKPFGX-QMMMGPOBSA-N 0 1 399.763 3.117 20 0 GGADMN COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)Cc1ccccc1 ZINC000546599031 567141396 /nfs/dbraw/zinc/14/13/96/567141396.db2.gz OJRNNWOJAKWOCC-UHFFFAOYSA-N 0 1 398.278 3.486 20 0 GGADMN CCCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)CC(C)(C)O ZINC000474160838 567142006 /nfs/dbraw/zinc/14/20/06/567142006.db2.gz WCAGXGGNNPTEJB-UHFFFAOYSA-N 0 1 391.295 3.201 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000614814192 567142041 /nfs/dbraw/zinc/14/20/41/567142041.db2.gz PSOIKAOKVDZVSQ-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)c(C)c1 ZINC000614853186 567143746 /nfs/dbraw/zinc/14/37/46/567143746.db2.gz ZMUIXCPARBXENT-UHFFFAOYSA-N 0 1 385.869 3.483 20 0 GGADMN CN(CC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000498018076 567143825 /nfs/dbraw/zinc/14/38/25/567143825.db2.gz MURFEUUDXDCMPJ-WBVHZDCISA-N 0 1 397.382 3.277 20 0 GGADMN Cc1ccc(O[C@H](C)C(=O)N2CCN(C)C[C@@H]2C(C)C)c(Br)c1 ZINC000523132548 567144541 /nfs/dbraw/zinc/14/45/41/567144541.db2.gz HMCWUWCGWHNEEF-GDBMZVCRSA-N 0 1 383.330 3.323 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccco1 ZINC000474187688 567144847 /nfs/dbraw/zinc/14/48/47/567144847.db2.gz GGHTUEHVXMIZLX-SECBINFHSA-N 0 1 380.249 3.261 20 0 GGADMN COC(=O)CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000498031792 567145325 /nfs/dbraw/zinc/14/53/25/567145325.db2.gz BNVYTGJHZMKQFI-UHFFFAOYSA-N 0 1 383.853 3.391 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000474201856 567146942 /nfs/dbraw/zinc/14/69/42/567146942.db2.gz QNQOXJKRGLEGPX-CYBMUJFWSA-N 0 1 389.323 3.066 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000474215850 567147735 /nfs/dbraw/zinc/14/77/35/567147735.db2.gz KKKDPGPJILLHON-KGLIPLIRSA-N 0 1 387.351 3.476 20 0 GGADMN C[C@@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000683723492 567148802 /nfs/dbraw/zinc/14/88/02/567148802.db2.gz GKLXCGNBZRJJJF-CSMYWGQOSA-N 0 1 386.323 3.295 20 0 GGADMN O=S(=O)(NCc1cc(Br)ccn1)c1c(Cl)ccc(F)c1F ZINC000432304802 567148902 /nfs/dbraw/zinc/14/89/02/567148902.db2.gz CRNKZSCBKPADQN-UHFFFAOYSA-N 0 1 397.628 3.254 20 0 GGADMN COC(=O)[C@H](CNC(=O)c1cccc(Br)c1O)c1ccc(C)cc1 ZINC000523301395 567149348 /nfs/dbraw/zinc/14/93/48/567149348.db2.gz LHSGBGAEGFTEOX-CQSZACIVSA-N 0 1 392.249 3.150 20 0 GGADMN COC(=O)[C@@H](CNC(=O)c1cccc(Br)c1O)c1ccc(C)cc1 ZINC000523301394 567149592 /nfs/dbraw/zinc/14/95/92/567149592.db2.gz LHSGBGAEGFTEOX-AWEZNQCLSA-N 0 1 392.249 3.150 20 0 GGADMN COc1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC000432331606 567149963 /nfs/dbraw/zinc/14/99/63/567149963.db2.gz OSKKENZDFZWAKU-KRWDZBQOSA-N 0 1 375.266 3.353 20 0 GGADMN COc1cccc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000432331043 567150045 /nfs/dbraw/zinc/15/00/45/567150045.db2.gz IMHQWMKKAVDPCQ-KRWDZBQOSA-N 0 1 375.266 3.353 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)NC(C)(C)c2cnn(C)c2)ccc1Br ZINC000546705187 567151640 /nfs/dbraw/zinc/15/16/40/567151640.db2.gz PGZPDFOVCAJKBC-GFCCVEGCSA-N 0 1 379.302 3.343 20 0 GGADMN Cc1ccc(CNCc2cnc(N3CCOCC3)s2)cc1Br ZINC000683778030 567153307 /nfs/dbraw/zinc/15/33/07/567153307.db2.gz XQLOLJWQIUUDQY-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000615064977 567155545 /nfs/dbraw/zinc/15/55/45/567155545.db2.gz IHEDXDSJFJGMHO-MRVPVSSYSA-N 0 1 383.221 3.164 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCc2ncsc2C1 ZINC000474286051 567155609 /nfs/dbraw/zinc/15/56/09/567155609.db2.gz CXUOCYZFGIEKNT-UHFFFAOYSA-N 0 1 389.278 3.494 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1Br ZINC000683836818 567156640 /nfs/dbraw/zinc/15/66/40/567156640.db2.gz LXHUUYUEWDDHIX-CQSZACIVSA-N 0 1 399.304 3.224 20 0 GGADMN C[C@H](N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)cs1 ZINC000683820288 567156759 /nfs/dbraw/zinc/15/67/59/567156759.db2.gz VBJHZUDTMJQQPW-KWBADKCTSA-N 0 1 383.315 3.089 20 0 GGADMN Cc1ccc(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)c(=O)n1C ZINC000683820558 567156785 /nfs/dbraw/zinc/15/67/85/567156785.db2.gz LSQDNSMOAHDAOA-ZWKOTPCHSA-N 0 1 391.309 3.466 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)cs1 ZINC000683820290 567156955 /nfs/dbraw/zinc/15/69/55/567156955.db2.gz VBJHZUDTMJQQPW-OUJBWJOFSA-N 0 1 383.315 3.089 20 0 GGADMN O=C1[C@H]([N@H+]2CC[C@H](c3ccncc3)C2)CCN1c1cccc(Br)c1 ZINC000566426210 567156903 /nfs/dbraw/zinc/15/69/03/567156903.db2.gz PXIUWMWBKYGHKX-MAUKXSAKSA-N 0 1 386.293 3.439 20 0 GGADMN O=C1[C@H](N2CC[C@H](c3ccncc3)C2)CCN1c1cccc(Br)c1 ZINC000566426210 567156905 /nfs/dbraw/zinc/15/69/05/567156905.db2.gz PXIUWMWBKYGHKX-MAUKXSAKSA-N 0 1 386.293 3.439 20 0 GGADMN O[C@@H](COCc1ccccc1Cl)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000523443713 567156949 /nfs/dbraw/zinc/15/69/49/567156949.db2.gz AFTSRCBZBMCEOF-CABCVRRESA-N 0 1 381.822 3.261 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Br)cs1 ZINC000683820289 567157333 /nfs/dbraw/zinc/15/73/33/567157333.db2.gz VBJHZUDTMJQQPW-NRUUGDAUSA-N 0 1 383.315 3.089 20 0 GGADMN CC[NH+](CC)C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546777044 567158089 /nfs/dbraw/zinc/15/80/89/567158089.db2.gz YJDQTCGAKGEAEQ-OLZOCXBDSA-N 0 1 393.347 3.221 20 0 GGADMN O=C1[C@@H]([N@H+]2CC[C@@H](c3ccncc3)C2)CCN1c1cccc(Br)c1 ZINC000566426211 567158122 /nfs/dbraw/zinc/15/81/22/567158122.db2.gz PXIUWMWBKYGHKX-QAPCUYQASA-N 0 1 386.293 3.439 20 0 GGADMN O=C1[C@@H](N2CC[C@@H](c3ccncc3)C2)CCN1c1cccc(Br)c1 ZINC000566426211 567158130 /nfs/dbraw/zinc/15/81/30/567158130.db2.gz PXIUWMWBKYGHKX-QAPCUYQASA-N 0 1 386.293 3.439 20 0 GGADMN N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000498207065 567158071 /nfs/dbraw/zinc/15/80/71/567158071.db2.gz UFXOJKFTISFJCV-WCQYABFASA-N 0 1 394.249 3.296 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1C ZINC000615087914 567158220 /nfs/dbraw/zinc/15/82/20/567158220.db2.gz OUSUNUKLVSXCHK-CQSZACIVSA-N 0 1 395.341 3.391 20 0 GGADMN CC[NH+](CC)C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546777045 567158221 /nfs/dbraw/zinc/15/82/21/567158221.db2.gz YJDQTCGAKGEAEQ-QWHCGFSZSA-N 0 1 393.347 3.221 20 0 GGADMN CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1CCCN1C1CC1 ZINC000683867825 567158520 /nfs/dbraw/zinc/15/85/20/567158520.db2.gz PQEWVVDNNZCADW-OAHLLOKOSA-N 0 1 377.286 3.384 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN(C)Cc2cccc(Br)c2)c1 ZINC000615121968 567159137 /nfs/dbraw/zinc/15/91/37/567159137.db2.gz DCODPMYALYMWKQ-UHFFFAOYSA-N 0 1 397.338 3.331 20 0 GGADMN CC1(C)CCN(CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000566436318 567159391 /nfs/dbraw/zinc/15/93/91/567159391.db2.gz FOVZDCPHNQTSGD-HNNXBMFYSA-N 0 1 394.357 3.124 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000498223595 567159437 /nfs/dbraw/zinc/15/94/37/567159437.db2.gz NBPJZTWRCBJQAD-CQSZACIVSA-N 0 1 381.314 3.355 20 0 GGADMN CCN1C[C@H](C)N(C(=O)NCc2cc(OC)ccc2Br)C[C@H]1C ZINC000498222167 567159543 /nfs/dbraw/zinc/15/95/43/567159543.db2.gz QSQCJWVWZGBTMH-OLZOCXBDSA-N 0 1 384.318 3.082 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1ccc(I)cc1)N1CC(C)C1 ZINC000566444362 567159775 /nfs/dbraw/zinc/15/97/75/567159775.db2.gz DUZZZOGXRSMHRJ-CJNGLKHVSA-N 0 1 398.288 3.295 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@H](SC)C2)CC1 ZINC000454268979 567159767 /nfs/dbraw/zinc/15/97/67/567159767.db2.gz QCYBZYKVQZHSJO-HNNXBMFYSA-N 0 1 382.961 3.451 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566451095 567159817 /nfs/dbraw/zinc/15/98/17/567159817.db2.gz OUOADCJWKUSQCL-WQGACYEGSA-N 0 1 380.286 3.243 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566451092 567159966 /nfs/dbraw/zinc/15/99/66/567159966.db2.gz OUOADCJWKUSQCL-HSMVNMDESA-N 0 1 380.286 3.243 20 0 GGADMN CC[C@@H](C[C@@H](C)CO)NCc1ncc(Br)cc1Br ZINC000474346661 567160613 /nfs/dbraw/zinc/16/06/13/567160613.db2.gz CNMOVXOBKQGJHC-KOLCDFICSA-N 0 1 380.124 3.493 20 0 GGADMN CCN1C[C@H](C)N(C(=O)NCc2cc(Br)ccc2OC)C[C@H]1C ZINC000498229755 567161769 /nfs/dbraw/zinc/16/17/69/567161769.db2.gz SVXSSBSHJAAOQW-OLZOCXBDSA-N 0 1 384.318 3.082 20 0 GGADMN O=C(NCCCc1ccc(Br)cc1F)NCCN1CC=CCC1 ZINC000474362717 567162114 /nfs/dbraw/zinc/16/21/14/567162114.db2.gz KJXDPKBPEXFJMQ-UHFFFAOYSA-N 0 1 384.293 3.082 20 0 GGADMN COc1ccc2nc(CNCCCS(=O)(=O)c3ccccc3)sc2c1 ZINC000474351356 567162163 /nfs/dbraw/zinc/16/21/63/567162163.db2.gz FXMNCHQTARLGOT-UHFFFAOYSA-N 0 1 376.503 3.259 20 0 GGADMN O=C1CCC[C@H](CNCc2csc(-c3cccc(Br)c3)n2)N1 ZINC000683931317 567162206 /nfs/dbraw/zinc/16/22/06/567162206.db2.gz CAAYGGKUZKWDIF-CYBMUJFWSA-N 0 1 380.311 3.331 20 0 GGADMN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1ccc(F)c(Cl)c1 ZINC000683936452 567163571 /nfs/dbraw/zinc/16/35/71/567163571.db2.gz WLCXXZIKYCGWHW-UHFFFAOYSA-N 0 1 382.779 3.271 20 0 GGADMN CC(C)(CNC(=O)N1CCN(CC2CC2)CC1)c1cccc(Br)c1 ZINC000523637073 567164097 /nfs/dbraw/zinc/16/40/97/567164097.db2.gz FVYXDINEVMEKLP-UHFFFAOYSA-N 0 1 394.357 3.464 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)N3CCN(C)CC[C@H]3C)c2c1C ZINC000523662365 567166103 /nfs/dbraw/zinc/16/61/03/567166103.db2.gz LUIDHQPIRWEQNY-LLVKDONJSA-N 0 1 378.567 3.261 20 0 GGADMN CC[C@@H](NC(=O)NCc1n[nH]c(C2CCOCC2)n1)c1ccc(Cl)s1 ZINC000636786665 567166539 /nfs/dbraw/zinc/16/65/39/567166539.db2.gz ZIMNKRQDCNFIRT-LLVKDONJSA-N 0 1 383.905 3.364 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1C ZINC000546860702 567166883 /nfs/dbraw/zinc/16/68/83/567166883.db2.gz LZDQLWGBDQMNCE-UHFFFAOYSA-N 0 1 376.356 3.021 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000615184697 567167451 /nfs/dbraw/zinc/16/74/51/567167451.db2.gz IYHQBDPVSDYSDT-BDJLRTHQSA-N 0 1 389.297 3.427 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000566561080 567168011 /nfs/dbraw/zinc/16/80/11/567168011.db2.gz OFLPRZIQPLHCHM-LBPRGKRZSA-N 0 1 382.295 3.097 20 0 GGADMN C[C@H](NCc1cccc(I)c1)C(=O)N1CCCC[C@H]1C ZINC000566575600 567168255 /nfs/dbraw/zinc/16/82/55/567168255.db2.gz FPCBYRXNVAEISJ-OLZOCXBDSA-N 0 1 386.277 3.170 20 0 GGADMN CN1C(=O)C[C@H](c2nc(C3(N)CCC3)no2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000566560926 567168581 /nfs/dbraw/zinc/16/85/81/567168581.db2.gz JDCJPNIMSICSOQ-HZMBPMFUSA-N 0 1 381.263 3.401 20 0 GGADMN C[C@H](NCc1cccc(I)c1)C(=O)N1CCCC[C@@H]1C ZINC000566575602 567168690 /nfs/dbraw/zinc/16/86/90/567168690.db2.gz FPCBYRXNVAEISJ-STQMWFEESA-N 0 1 386.277 3.170 20 0 GGADMN Brc1ccc2o[nH]c(=NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000566594068 567170326 /nfs/dbraw/zinc/17/03/26/567170326.db2.gz VEFWMYHICNCQCK-UHFFFAOYSA-N 0 1 387.281 3.484 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474436360 567171764 /nfs/dbraw/zinc/17/17/64/567171764.db2.gz WKCZEXFKHLEOCM-UHFFFAOYSA-N 0 1 378.208 3.494 20 0 GGADMN COc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(Br)c1O ZINC000546912069 567171866 /nfs/dbraw/zinc/17/18/66/567171866.db2.gz TYJXIAONFQNMDI-CQSZACIVSA-N 0 1 388.225 3.010 20 0 GGADMN CS(=O)(=O)Nc1ccc(C(=O)N2CCCSc3ccc(Cl)cc32)cn1 ZINC000636975434 567172337 /nfs/dbraw/zinc/17/23/37/567172337.db2.gz BIAZKIUVRDPQFI-UHFFFAOYSA-N 0 1 397.909 3.249 20 0 GGADMN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1[nH]nc2c1CCCCC2 ZINC000566626193 567172622 /nfs/dbraw/zinc/17/26/22/567172622.db2.gz CNJQLGJCIHRFSL-HNNXBMFYSA-N 0 1 396.260 3.044 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000636941524 567172705 /nfs/dbraw/zinc/17/27/05/567172705.db2.gz BHKYTAFDXSTLLH-QLJPJBMISA-N 0 1 385.295 3.379 20 0 GGADMN O=S(=O)(NCCc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000615252727 567172998 /nfs/dbraw/zinc/17/29/98/567172998.db2.gz HNJVETWGHGBYAF-UHFFFAOYSA-N 0 1 381.322 3.384 20 0 GGADMN CC(C)(C)C[C@@H](O)CNCc1c(F)ccc(I)c1F ZINC000474713316 567193894 /nfs/dbraw/zinc/19/38/94/567193894.db2.gz LUYGTUXUHPUBHI-SECBINFHSA-N 0 1 383.220 3.456 20 0 GGADMN CNC(=O)[C@H]1CCC[C@@H]1NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000498380265 567174161 /nfs/dbraw/zinc/17/41/61/567174161.db2.gz DRVJGRSAFXTCNH-HOTGVXAUSA-N 0 1 379.913 3.380 20 0 GGADMN Cc1cccc2sc(C(=O)N3CC(CN4CC[NH+](C)CC4)C3)c(Cl)c21 ZINC000615273993 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GGADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000566797239 567191658 /nfs/dbraw/zinc/19/16/58/567191658.db2.gz SMQSKPCHJLHJKB-UHFFFAOYSA-N 0 1 389.279 3.278 20 0 GGADMN CC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000615589185 567191964 /nfs/dbraw/zinc/19/19/64/567191964.db2.gz IKYRDLBLVBROBO-INIZCTEOSA-N 0 1 376.254 3.423 20 0 GGADMN CC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000615586994 567192230 /nfs/dbraw/zinc/19/22/30/567192230.db2.gz UTQZCKTTYTTWMW-ZDUSSCGKSA-N 0 1 376.254 3.423 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)nc2)CC1 ZINC000498632326 567192962 /nfs/dbraw/zinc/19/29/62/567192962.db2.gz SLOBUMMQFPDCTQ-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN CC[C@H](C)[C@](C)(O)CNCc1c(F)ccc(I)c1F ZINC000474711486 567193635 /nfs/dbraw/zinc/19/36/35/567193635.db2.gz KVUNSOHVMHTPNA-LKFCYVNXSA-N 0 1 383.220 3.456 20 0 GGADMN Cc1cc(Br)cn2c(CN(C)CCCNC(=O)C3CCC3)cnc12 ZINC000432819751 567194125 /nfs/dbraw/zinc/19/41/25/567194125.db2.gz 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BOSGWAAZOYCWLQ-UHFFFAOYSA-N 0 1 379.251 3.098 20 0 GGADMN Cn1cnc(S(=O)(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)c1 ZINC000590066918 567206338 /nfs/dbraw/zinc/20/63/38/567206338.db2.gz ZSYOINRPGKCOQF-CQSZACIVSA-N 0 1 375.416 3.300 20 0 GGADMN CCCN(C)CC(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 ZINC000524632321 567206445 /nfs/dbraw/zinc/20/64/45/567206445.db2.gz DHUVNRQRWHBVPX-UHFFFAOYSA-N 0 1 380.539 3.096 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000615817134 567207322 /nfs/dbraw/zinc/20/73/22/567207322.db2.gz IMRYSVQFOMYCJT-SNVBAGLBSA-N 0 1 383.901 3.092 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000615816682 567207547 /nfs/dbraw/zinc/20/75/47/567207547.db2.gz OGLDNLHWIQTMHQ-VIFPVBQESA-N 0 1 381.841 3.046 20 0 GGADMN CC(C)CN1CCN(C(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000615813059 567207663 /nfs/dbraw/zinc/20/76/63/567207663.db2.gz SDWKMEFGOLCIRL-UHFFFAOYSA-N 0 1 386.309 3.114 20 0 GGADMN CC(C)c1cc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)no1 ZINC000454874399 567207833 /nfs/dbraw/zinc/20/78/33/567207833.db2.gz MDRLTYDMQVMIKY-UHFFFAOYSA-N 0 1 378.230 3.180 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)Cn1cc(Br)cn1 ZINC000615815141 567207940 /nfs/dbraw/zinc/20/79/40/567207940.db2.gz DAQGSHOEFMPGRW-VIFPVBQESA-N 0 1 396.676 3.395 20 0 GGADMN CC(=O)Nc1nc(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000615814652 567208046 /nfs/dbraw/zinc/20/80/46/567208046.db2.gz WLGRNXLUZKROGU-QMMMGPOBSA-N 0 1 377.857 3.464 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1coc(S(C)(=O)=O)c1 ZINC000615812393 567208255 /nfs/dbraw/zinc/20/82/55/567208255.db2.gz JPTRYHKJJXZRLI-VIFPVBQESA-N 0 1 381.841 3.046 20 0 GGADMN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2sc(N3CCCC3)nc2s1 ZINC000684437418 567208514 /nfs/dbraw/zinc/20/85/14/567208514.db2.gz UJIKEMUERXELIL-CYBMUJFWSA-N 0 1 376.551 3.172 20 0 GGADMN CCOC(=O)[C@H](C)[C@H](C)NCc1c(F)ccc(I)c1F ZINC000474922956 567209164 /nfs/dbraw/zinc/20/91/64/567209164.db2.gz IYNZOPTVFVAYKI-BDAKNGLRSA-N 0 1 397.203 3.247 20 0 GGADMN C[C@H]1CCCN(CCNC(=O)c2cc3sc(N4CCCC4)nc3s2)C1 ZINC000474911625 567209688 /nfs/dbraw/zinc/20/96/88/567209688.db2.gz UKJHZJBBIBKFIA-ZDUSSCGKSA-N 0 1 378.567 3.420 20 0 GGADMN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cccc2[nH]ncc21 ZINC000498899277 567209691 /nfs/dbraw/zinc/20/96/91/567209691.db2.gz DYGQZOUCEMNHMX-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)C1 ZINC000590158015 567211966 /nfs/dbraw/zinc/21/19/66/567211966.db2.gz XATARFUXXPIDFI-DYVFJYSZSA-N 0 1 380.330 3.468 20 0 GGADMN O=C(N[C@H]1CCc2c1cccc2Br)N1CCN(CC2CC2)CC1 ZINC000590171086 567212048 /nfs/dbraw/zinc/21/20/48/567212048.db2.gz ZOAFRFHFFHHTKT-KRWDZBQOSA-N 0 1 378.314 3.174 20 0 GGADMN OCC1(CNCc2c(F)ccc(I)c2F)CCCC1 ZINC000474941552 567212705 /nfs/dbraw/zinc/21/27/05/567212705.db2.gz JMECGRGOVZHXTN-UHFFFAOYSA-N 0 1 381.204 3.212 20 0 GGADMN COC[C@H](N[C@H](C)c1ccccc1I)[C@H]1CCCO1 ZINC000432997024 567214341 /nfs/dbraw/zinc/21/43/41/567214341.db2.gz JNWKEKKJTMXPLA-BYCMXARLSA-N 0 1 375.250 3.136 20 0 GGADMN Cc1nc(CCN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c(C)o1 ZINC000547503040 567215469 /nfs/dbraw/zinc/21/54/69/567215469.db2.gz SRPFDBLPHDUEAT-HNNXBMFYSA-N 0 1 399.310 3.105 20 0 GGADMN COC(=O)CCN(Cc1cccc(Br)c1OC)C[C@H]1CCCO1 ZINC000547516146 567215660 /nfs/dbraw/zinc/21/56/60/567215660.db2.gz NZPCVTODPCQJQG-CQSZACIVSA-N 0 1 386.286 3.002 20 0 GGADMN C[C@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000567080730 567215666 /nfs/dbraw/zinc/21/56/66/567215666.db2.gz XUCORWRJGIPRCT-JSGCOSHPSA-N 0 1 394.368 3.305 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)cc1 ZINC000590264169 567216408 /nfs/dbraw/zinc/21/64/08/567216408.db2.gz QIBIPWQBLHWUIH-UHFFFAOYSA-N 0 1 375.475 3.409 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100659 567218512 /nfs/dbraw/zinc/21/85/12/567218512.db2.gz VVYBEXMTGOFRFP-QWHCGFSZSA-N 0 1 382.835 3.264 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+]2CCCC[C@H]12)c1c(Cl)cccc1C(F)(F)F ZINC000567100659 567218517 /nfs/dbraw/zinc/21/85/17/567218517.db2.gz VVYBEXMTGOFRFP-QWHCGFSZSA-N 0 1 382.835 3.264 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000433059037 567218753 /nfs/dbraw/zinc/21/87/53/567218753.db2.gz CAWAPEKWHOQILE-KSSFIOAISA-N 0 1 391.309 3.312 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000684588321 567219035 /nfs/dbraw/zinc/21/90/35/567219035.db2.gz BJSZTZHMPDUDJF-SCLBCKFNSA-N 0 1 382.913 3.318 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000433059035 567219390 /nfs/dbraw/zinc/21/93/90/567219390.db2.gz CAWAPEKWHOQILE-KDOFPFPSSA-N 0 1 391.309 3.312 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Br)N(C)C[C@@H](O)Cc1ccccc1 ZINC000433054045 567219413 /nfs/dbraw/zinc/21/94/13/567219413.db2.gz TYVPECGPUSJHRU-HOCLYGCPSA-N 0 1 391.309 3.312 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)NCCCc3cn[nH]c3C)cc21 ZINC000590313650 567219580 /nfs/dbraw/zinc/21/95/80/567219580.db2.gz RBSHIQZYBFPOSA-UHFFFAOYSA-N 0 1 391.269 3.333 20 0 GGADMN CC(C)(NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1nn[nH]n1 ZINC000475002840 567219875 /nfs/dbraw/zinc/21/98/75/567219875.db2.gz LQBUPFBUZRTSJZ-UHFFFAOYSA-N 0 1 383.264 3.295 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C[NH+](C)C)c(Cl)c1 ZINC000684608691 567220574 /nfs/dbraw/zinc/22/05/74/567220574.db2.gz FUPNRDWZLDXBMR-UHFFFAOYSA-N 0 1 384.933 3.061 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000433072507 567220578 /nfs/dbraw/zinc/22/05/78/567220578.db2.gz OPAFVDLHNCWNOL-KDOFPFPSSA-N 0 1 391.309 3.312 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000433086280 567220625 /nfs/dbraw/zinc/22/06/25/567220625.db2.gz ZUTKPLATWBFUFO-KBPBESRZSA-N 0 1 384.237 3.371 20 0 GGADMN O=C(NCCN1CCCOCC1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000454995489 567220826 /nfs/dbraw/zinc/22/08/26/567220826.db2.gz GQAXLHBAXJFUSE-KRWDZBQOSA-N 0 1 396.329 3.018 20 0 GGADMN CC(C)N(CC(=O)NCc1cccnc1)Cc1ccc(Br)cc1 ZINC000524907245 567221124 /nfs/dbraw/zinc/22/11/24/567221124.db2.gz MIKOLBSDOSVJMH-UHFFFAOYSA-N 0 1 376.298 3.371 20 0 GGADMN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NCCN1CCCOCC1 ZINC000455002138 567222068 /nfs/dbraw/zinc/22/20/68/567222068.db2.gz PKAJMEWPAWACFV-ZDUSSCGKSA-N 0 1 386.323 3.344 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000637849122 567222283 /nfs/dbraw/zinc/22/22/83/567222283.db2.gz MSVGEZQOXJZOAQ-UHFFFAOYSA-N 0 1 390.839 3.221 20 0 GGADMN C[C@@H]1COCCN1C1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000590388929 567222751 /nfs/dbraw/zinc/22/27/51/567222751.db2.gz PWAZQDKEPOWXSC-OAHLLOKOSA-N 0 1 382.957 3.285 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n1 ZINC000499074534 567222855 /nfs/dbraw/zinc/22/28/55/567222855.db2.gz WQFVIQIUHLYVTG-UHFFFAOYSA-N 0 1 393.270 3.036 20 0 GGADMN CC(C)CN1CCO[C@@H](CNc2ccnc3cc(Br)cnc32)C1 ZINC000475047031 567222977 /nfs/dbraw/zinc/22/29/77/567222977.db2.gz ODDCFBKBUFAUAH-AWEZNQCLSA-N 0 1 379.302 3.161 20 0 GGADMN C[C@H]1COCCN1C1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000590388926 567223092 /nfs/dbraw/zinc/22/30/92/567223092.db2.gz PWAZQDKEPOWXSC-HNNXBMFYSA-N 0 1 382.957 3.285 20 0 GGADMN O=C(N1CC[C@H](c2nc[nH]n2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000567161591 567223179 /nfs/dbraw/zinc/22/31/79/567223179.db2.gz CSOIVZABXKGPBO-LBPRGKRZSA-N 0 1 375.270 3.005 20 0 GGADMN O=C(N1CC[C@@H](c2nc[nH]n2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000567161590 567223679 /nfs/dbraw/zinc/22/36/79/567223679.db2.gz CSOIVZABXKGPBO-GFCCVEGCSA-N 0 1 375.270 3.005 20 0 GGADMN COc1cccc(C[C@H](N)C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000637888972 567223727 /nfs/dbraw/zinc/22/37/27/567223727.db2.gz MBFVUZXNBHDTEM-AWEZNQCLSA-N 0 1 383.311 3.048 20 0 GGADMN COc1cccc([C@H](N)C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000637895317 567224062 /nfs/dbraw/zinc/22/40/62/567224062.db2.gz LGCFKYXZCHFVKA-GTNSWQLSSA-N 0 1 393.281 3.344 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)N(C)[C@H]3CCCN(C)C3)c2c1C ZINC000525006809 567224685 /nfs/dbraw/zinc/22/46/85/567224685.db2.gz CGDPUSBYESBTBB-AWEZNQCLSA-N 0 1 378.567 3.261 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000567178643 567224856 /nfs/dbraw/zinc/22/48/56/567224856.db2.gz MLRNNQYSKNNSJF-UHFFFAOYSA-N 0 1 378.270 3.093 20 0 GGADMN Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)C2 ZINC000616076511 567225078 /nfs/dbraw/zinc/22/50/78/567225078.db2.gz RKIAFTXUGMRIJK-ADLMAVQZSA-N 0 1 382.291 3.154 20 0 GGADMN CC[C@@]1(CO)CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000475124243 567225328 /nfs/dbraw/zinc/22/53/28/567225328.db2.gz ZWKRLJKNEIFITG-LJQANCHMSA-N 0 1 397.357 3.270 20 0 GGADMN Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1)C2 ZINC000616076565 567225526 /nfs/dbraw/zinc/22/55/26/567225526.db2.gz RKIAFTXUGMRIJK-VOJFVSQTSA-N 0 1 382.291 3.154 20 0 GGADMN O=C([O-])[C@H](c1cccc(Br)c1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804958 567225697 /nfs/dbraw/zinc/22/56/97/567225697.db2.gz ISJIYPOQEWKAMN-RYQLBKOJSA-N 0 1 380.282 3.467 20 0 GGADMN O=C([O-])[C@@]12C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]1CCCC2 ZINC000659798820 567225986 /nfs/dbraw/zinc/22/59/86/567225986.db2.gz SANWNLSUDYXIRD-YEWDVWPNSA-N 0 1 388.291 3.310 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000659790626 567226136 /nfs/dbraw/zinc/22/61/36/567226136.db2.gz DYZLCNXIKKGRCX-HNNXBMFYSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000659790626 567226151 /nfs/dbraw/zinc/22/61/51/567226151.db2.gz DYZLCNXIKKGRCX-HNNXBMFYSA-N 0 1 382.243 3.447 20 0 GGADMN CC[C@]1(CO)CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000475124242 567226160 /nfs/dbraw/zinc/22/61/60/567226160.db2.gz ZWKRLJKNEIFITG-IBGZPJMESA-N 0 1 397.357 3.270 20 0 GGADMN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC000525018988 567226156 /nfs/dbraw/zinc/22/61/56/567226156.db2.gz MLHBRYXXERAECN-UHFFFAOYSA-N 0 1 392.786 3.260 20 0 GGADMN OCCCC1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475098656 567226351 /nfs/dbraw/zinc/22/63/51/567226351.db2.gz UJTKHWIUOXBADK-UHFFFAOYSA-N 0 1 397.357 3.270 20 0 GGADMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCc1csc(Br)c1 ZINC000637933998 567226453 /nfs/dbraw/zinc/22/64/53/567226453.db2.gz GUBNNOUEUZXJOA-XHDPSFHLSA-N 0 1 383.311 3.059 20 0 GGADMN COCc1c(Br)cccc1NC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000637943097 567226465 /nfs/dbraw/zinc/22/64/65/567226465.db2.gz DCBJZQILCSGDDJ-INIZCTEOSA-N 0 1 393.281 3.113 20 0 GGADMN O=C([O-])[C@@]12C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C[C@@H]1CCCC2 ZINC000659798819 567226686 /nfs/dbraw/zinc/22/66/86/567226686.db2.gz SANWNLSUDYXIRD-WRSAYESZSA-N 0 1 388.291 3.310 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000659791057 567226810 /nfs/dbraw/zinc/22/68/10/567226810.db2.gz LVNQTIBAEIYEDG-HNNXBMFYSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000659791057 567226818 /nfs/dbraw/zinc/22/68/18/567226818.db2.gz LVNQTIBAEIYEDG-HNNXBMFYSA-N 0 1 382.243 3.447 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 ZINC000525062349 567227452 /nfs/dbraw/zinc/22/74/52/567227452.db2.gz YXJRVTADQSELLZ-UHFFFAOYSA-N 0 1 382.877 3.352 20 0 GGADMN CN(C(=O)c1cnc(CN)nc1)[C@H]1CCSc2ccc(Br)cc21 ZINC000637979788 567228808 /nfs/dbraw/zinc/22/88/08/567228808.db2.gz GMRWARWBZIWKEN-ZDUSSCGKSA-N 0 1 393.310 3.007 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000616108386 567228796 /nfs/dbraw/zinc/22/87/96/567228796.db2.gz VKNYNLZWPVJXDY-AWEZNQCLSA-N 0 1 380.330 3.117 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2c[nH]c3ccc(Br)cc23)C[C@H](C)O1 ZINC000590498091 567229202 /nfs/dbraw/zinc/22/92/02/567229202.db2.gz BPEABNUICRAZEA-STQMWFEESA-N 0 1 394.313 3.160 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(CCO)[C@H]1CCCSC1 ZINC000433181617 567229223 /nfs/dbraw/zinc/22/92/23/567229223.db2.gz LOECRFLJYMMCNV-AWEZNQCLSA-N 0 1 391.364 3.142 20 0 GGADMN CC(C)[C@H](Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)C(=O)NC(N)=O ZINC000525116585 567229459 /nfs/dbraw/zinc/22/94/59/567229459.db2.gz BGFAOLUMEDMBKE-JTQLQIEISA-N 0 1 388.280 3.090 20 0 GGADMN Cc1cc(Br)cc(C(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)c1C ZINC000616162021 567230017 /nfs/dbraw/zinc/23/00/17/567230017.db2.gz KKIINISLYLSTPF-UHFFFAOYSA-N 0 1 379.258 3.264 20 0 GGADMN CCC1(CC)CN(C(=O)c2cnc(CN)nc2)c2ccc(Br)cc21 ZINC000638045148 567230441 /nfs/dbraw/zinc/23/04/41/567230441.db2.gz SAIIDHQPJRTKSZ-UHFFFAOYSA-N 0 1 389.297 3.416 20 0 GGADMN N[C@@H](C(=O)Nc1nnc(CC(F)(F)F)s1)c1ccc(C(F)(F)F)cc1 ZINC000638029409 567230554 /nfs/dbraw/zinc/23/05/54/567230554.db2.gz PAHKOWMDLJAYNU-SECBINFHSA-N 0 1 384.305 3.300 20 0 GGADMN O=[S@@](CCN(CCO)[C@@H]1CCCSC1)c1cc(Cl)ccc1Cl ZINC000433198602 567230672 /nfs/dbraw/zinc/23/06/72/567230672.db2.gz ZBJPJJLFOOWVCR-DMZKTXOQSA-N 0 1 382.378 3.291 20 0 GGADMN NCc1ncc(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cn1 ZINC000638039320 567231011 /nfs/dbraw/zinc/23/10/11/567231011.db2.gz AGVMXRYLHSHFKU-UHFFFAOYSA-N 0 1 379.291 3.337 20 0 GGADMN COc1cc(Br)c(CNC(=O)[C@@H](N)c2ccccc2C)cc1OC ZINC000567265032 567231067 /nfs/dbraw/zinc/23/10/67/567231067.db2.gz YGQPDFKFPBYWAF-KRWDZBQOSA-N 0 1 393.281 3.091 20 0 GGADMN C[C@H](NC(=O)CN(CCO)[C@@H]1CCCSC1)c1ccc(Cl)c(Cl)c1 ZINC000433199955 567231582 /nfs/dbraw/zinc/23/15/82/567231582.db2.gz FWXVMKRJVISAQO-GXTWGEPZSA-N 0 1 391.364 3.361 20 0 GGADMN COCCN(CC(=O)NCCSc1ccc(C)cc1)[C@H]1CCCSC1 ZINC000433199460 567231755 /nfs/dbraw/zinc/23/17/55/567231755.db2.gz LOMUDVRXKZHOHJ-KRWDZBQOSA-N 0 1 382.595 3.047 20 0 GGADMN COCCN(CC(=O)N(C)Cc1ccc(SC)cc1)[C@H]1CCCSC1 ZINC000433198919 567231786 /nfs/dbraw/zinc/23/17/86/567231786.db2.gz ALRIRLWIASHCKV-KRWDZBQOSA-N 0 1 382.595 3.211 20 0 GGADMN COCCN(CC(=O)N(C)Cc1c(F)cccc1Cl)[C@@H]1CCCSC1 ZINC000433197156 567232023 /nfs/dbraw/zinc/23/20/23/567232023.db2.gz QASCJIQPXSWHBS-CQSZACIVSA-N 0 1 388.936 3.282 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(I)c2)C[C@@H]1C ZINC000499247782 567232197 /nfs/dbraw/zinc/23/21/97/567232197.db2.gz PWZXCHWADZCXQC-NWDGAFQWSA-N 0 1 387.265 3.238 20 0 GGADMN O=C(Nc1n[nH]c2cc(O)ccc21)c1ccc(I)cc1 ZINC000590557476 567232381 /nfs/dbraw/zinc/23/23/81/567232381.db2.gz BIWCGGOXBJEOLH-UHFFFAOYSA-N 0 1 379.157 3.125 20 0 GGADMN O=C(Cc1cccc(I)c1)Nc1n[nH]c2cc(O)ccc21 ZINC000590556501 567232403 /nfs/dbraw/zinc/23/24/03/567232403.db2.gz GOANOYYGAGNPRZ-UHFFFAOYSA-N 0 1 393.184 3.054 20 0 GGADMN Cc1noc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3Br)CC2)n1 ZINC000567280188 567233059 /nfs/dbraw/zinc/23/30/59/567233059.db2.gz SWSGWOZTBYOVEU-UHFFFAOYSA-N 0 1 380.242 3.218 20 0 GGADMN Brc1cnc2c(CN3CCC(C4CCOCC4)CC3)cnn2c1 ZINC000638125918 567233555 /nfs/dbraw/zinc/23/35/55/567233555.db2.gz ZWKLAQCYGZMUSQ-UHFFFAOYSA-N 0 1 379.302 3.130 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c1 ZINC000499270688 567233809 /nfs/dbraw/zinc/23/38/09/567233809.db2.gz GNCRWDUAZFOEGY-UHFFFAOYSA-N 0 1 396.266 3.443 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)CC(=O)N(C)c2ccccc2)s1 ZINC000475206599 567233685 /nfs/dbraw/zinc/23/36/85/567233685.db2.gz CTPSMEZSQAODIY-CQSZACIVSA-N 0 1 380.535 3.073 20 0 GGADMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2F)ccc1Cl ZINC000616242948 567234746 /nfs/dbraw/zinc/23/47/46/567234746.db2.gz UVFDKPMWIDMSLK-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN O=C1[C@H](N2CCC([C@@H]3CCCO3)CC2)CCN1c1cccc(Br)c1 ZINC000433233920 567234842 /nfs/dbraw/zinc/23/48/42/567234842.db2.gz IOYQBJWJRGENJG-MSOLQXFVSA-N 0 1 393.325 3.445 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cccc(Br)c2)CCN1CCOC ZINC000499272701 567235626 /nfs/dbraw/zinc/23/56/26/567235626.db2.gz GXKJVVLDLQCTMX-INIZCTEOSA-N 0 1 384.318 3.414 20 0 GGADMN O=C1[C@@H](N2CCC([C@H]3CCCO3)CC2)CCN1c1cccc(Br)c1 ZINC000433233923 567235590 /nfs/dbraw/zinc/23/55/90/567235590.db2.gz IOYQBJWJRGENJG-ZWKOTPCHSA-N 0 1 393.325 3.445 20 0 GGADMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000547641559 567235571 /nfs/dbraw/zinc/23/55/71/567235571.db2.gz BAJBFZMBWSBACD-QMMMGPOBSA-N 0 1 376.221 3.336 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCOc1ccc(C)cc1Br ZINC000590618788 567235711 /nfs/dbraw/zinc/23/57/11/567235711.db2.gz WSZLNGNBWPANOM-UHFFFAOYSA-N 0 1 380.286 3.307 20 0 GGADMN O=S(=O)(Nc1nc(CC(F)(F)F)cs1)c1ccc2c(c1)CCCO2 ZINC000567323514 567237093 /nfs/dbraw/zinc/23/70/93/567237093.db2.gz NIFDAGZPXPAYBS-UHFFFAOYSA-N 0 1 378.397 3.374 20 0 GGADMN C[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2Br)n1)N1CCCCCC1 ZINC000525241285 567237370 /nfs/dbraw/zinc/23/73/70/567237370.db2.gz KUHBUFPQQDLQRO-LBPRGKRZSA-N 0 1 392.301 3.437 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000525240933 567237511 /nfs/dbraw/zinc/23/75/11/567237511.db2.gz YKBXSMWJJFYTMA-WFASDCNBSA-N 0 1 379.298 3.011 20 0 GGADMN Cc1ccc(CCC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000475278452 567237586 /nfs/dbraw/zinc/23/75/86/567237586.db2.gz HBDSPHOKZCNJSH-IYBDPMFKSA-N 0 1 397.357 3.306 20 0 GGADMN CC[C@@H](Cc1cccs1)NCc1nn(C)cc1I ZINC000590661352 567237541 /nfs/dbraw/zinc/23/75/41/567237541.db2.gz NOSISKVVMGIQGH-JTQLQIEISA-N 0 1 375.279 3.197 20 0 GGADMN CO[C@@]1(C)CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000475293104 567237782 /nfs/dbraw/zinc/23/77/82/567237782.db2.gz WFRMCNBOYVKTHG-SFHVURJKSA-N 0 1 383.330 3.287 20 0 GGADMN COC(=O)C[C@H](NC(=O)c1cccc(Br)c1O)C1CCCCC1 ZINC000525261984 567238537 /nfs/dbraw/zinc/23/85/37/567238537.db2.gz OUZJEJGYMDYVRW-AWEZNQCLSA-N 0 1 384.270 3.397 20 0 GGADMN O=C(CNC[C@@H](O)COCc1ccccc1Cl)Nc1ccc(Cl)cc1 ZINC000567345625 567238547 /nfs/dbraw/zinc/23/85/47/567238547.db2.gz OBHHHUCKNBPYJJ-MRXNPFEDSA-N 0 1 383.275 3.099 20 0 GGADMN Cc1ccc(I)cc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000455152746 567238704 /nfs/dbraw/zinc/23/87/04/567238704.db2.gz HLJGQLOCYJFMBS-TXEJJXNPSA-N 0 1 387.265 3.156 20 0 GGADMN CC(C)[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CCN1C ZINC000475308580 567239242 /nfs/dbraw/zinc/23/92/42/567239242.db2.gz QLVGGRZRNAVYRP-JHJVBQTASA-N 0 1 386.359 3.348 20 0 GGADMN COc1ccc2[nH]nc(NS(=O)(=O)Cc3ccccc3Br)c2c1 ZINC000567358591 567239345 /nfs/dbraw/zinc/23/93/45/567239345.db2.gz XOPNZYIDIKHIAW-UHFFFAOYSA-N 0 1 396.266 3.276 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000590696998 567240112 /nfs/dbraw/zinc/24/01/12/567240112.db2.gz NDOALNUSYLTDFJ-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CN(CC1CCCCC1)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000525273056 567240194 /nfs/dbraw/zinc/24/01/94/567240194.db2.gz PSYJKEXMRZBESI-UHFFFAOYSA-N 0 1 397.361 3.321 20 0 GGADMN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659936715 567240573 /nfs/dbraw/zinc/24/05/73/567240573.db2.gz SFEUCNHXVZZUKU-OCCSQVGLSA-N 0 1 391.313 3.067 20 0 GGADMN CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000475317847 567241013 /nfs/dbraw/zinc/24/10/13/567241013.db2.gz LKXGYHAYIJKBAH-DYVFJYSZSA-N 0 1 398.345 3.201 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CCN(C)[C@H](C)[C@H]3C)c2o1 ZINC000455163530 567241335 /nfs/dbraw/zinc/24/13/35/567241335.db2.gz HMSWHXOUQYISAU-NXEZZACHSA-N 0 1 381.274 3.455 20 0 GGADMN CSCc1cnc(CNC[C@H](C)N2CCN(c3ccccc3)CC2)s1 ZINC000567372183 567241359 /nfs/dbraw/zinc/24/13/59/567241359.db2.gz ZTBSKLKGPAQXGW-INIZCTEOSA-N 0 1 376.595 3.306 20 0 GGADMN COc1cccc(C[C@H](N)C(=O)Nc2cc(Br)c(C)cc2OC)c1 ZINC000638292554 567241652 /nfs/dbraw/zinc/24/16/52/567241652.db2.gz DKUDHKWRELLHDI-HNNXBMFYSA-N 0 1 393.281 3.283 20 0 GGADMN C[C@H]1CCN(CCNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000525307549 567241625 /nfs/dbraw/zinc/24/16/25/567241625.db2.gz SZAQBRBPIMCQTO-ZDUSSCGKSA-N 0 1 381.567 3.214 20 0 GGADMN O=C(CC(F)(F)F)N1CCC(NCc2ncc(C(F)(F)F)s2)CC1 ZINC000433316884 567241734 /nfs/dbraw/zinc/24/17/34/567241734.db2.gz BPUFBMBNHSRSLU-UHFFFAOYSA-N 0 1 375.338 3.195 20 0 GGADMN CSCc1cnc(CNC[C@@H](C)N2CCN(c3ccccc3)CC2)s1 ZINC000567372184 567242077 /nfs/dbraw/zinc/24/20/77/567242077.db2.gz ZTBSKLKGPAQXGW-MRXNPFEDSA-N 0 1 376.595 3.306 20 0 GGADMN C[C@H](C(=O)NCC(F)(F)F)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433321403 567242481 /nfs/dbraw/zinc/24/24/81/567242481.db2.gz NSFPQWCDHIARFB-YPMHNXCESA-N 0 1 393.247 3.381 20 0 GGADMN C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433321402 567242734 /nfs/dbraw/zinc/24/27/34/567242734.db2.gz NSFPQWCDHIARFB-WCQYABFASA-N 0 1 393.247 3.381 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CCSC2)cc1 ZINC000547738431 567243076 /nfs/dbraw/zinc/24/30/76/567243076.db2.gz QGXJCVMFYDIUPI-ZDUSSCGKSA-N 0 1 396.559 3.340 20 0 GGADMN C[N@@H+](CCCCNC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1CC1 ZINC000455181003 567243600 /nfs/dbraw/zinc/24/36/00/567243600.db2.gz NQQLXZCTMVPWNC-UHFFFAOYSA-N 0 1 379.917 3.276 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)[nH]1 ZINC000475370755 567244023 /nfs/dbraw/zinc/24/40/23/567244023.db2.gz TZKYVOQFOYDOPI-CYBMUJFWSA-N 0 1 382.247 3.003 20 0 GGADMN CCc1nsc(N2CCCN(CCSc3cccc(OC)c3)CC2)n1 ZINC000659971152 567244344 /nfs/dbraw/zinc/24/43/44/567244344.db2.gz VMZGRMWMNHJFRC-UHFFFAOYSA-N 0 1 378.567 3.414 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N(C)C[C@@H](C)c2nn[nH]n2)ccc1Br ZINC000499402719 567244374 /nfs/dbraw/zinc/24/43/74/567244374.db2.gz IJEIXDZIKFHWTI-GFCCVEGCSA-N 0 1 394.317 3.101 20 0 GGADMN CSCC[C@H](NCc1cn(-c2ccc(Cl)cc2)nc1C)C(=O)N(C)C ZINC000567423792 567244454 /nfs/dbraw/zinc/24/44/54/567244454.db2.gz COALHXWTWXFTFP-KRWDZBQOSA-N 0 1 380.945 3.134 20 0 GGADMN CN(C)c1ncc(Br)cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000499403610 567245143 /nfs/dbraw/zinc/24/51/43/567245143.db2.gz FYBRFANUEPLHGZ-CQSZACIVSA-N 0 1 397.342 3.004 20 0 GGADMN COc1cc(OC)c(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Br ZINC000455197865 567245089 /nfs/dbraw/zinc/24/50/89/567245089.db2.gz BNIREDBYXYQUSU-PHIMTYICSA-N 0 1 386.290 3.023 20 0 GGADMN COc1cc(OC)c(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1Br ZINC000455197865 567245096 /nfs/dbraw/zinc/24/50/96/567245096.db2.gz BNIREDBYXYQUSU-PHIMTYICSA-N 0 1 386.290 3.023 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000660008583 567245862 /nfs/dbraw/zinc/24/58/62/567245862.db2.gz CSBYTVMGIQVUFD-GFCCVEGCSA-N 0 1 395.750 3.207 20 0 GGADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000684913191 567245984 /nfs/dbraw/zinc/24/59/84/567245984.db2.gz XLLQVPXSXFMENV-LBPRGKRZSA-N 0 1 395.750 3.255 20 0 GGADMN CCNC(=O)COc1cccc(CNCc2cc(Cl)cc(Cl)c2N)c1 ZINC000638390100 567246093 /nfs/dbraw/zinc/24/60/93/567246093.db2.gz JZGJVMCRYZKELB-UHFFFAOYSA-N 0 1 382.291 3.380 20 0 GGADMN Cn1cc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)c(-c2ccc(Cl)s2)n1 ZINC000567446764 567246187 /nfs/dbraw/zinc/24/61/87/567246187.db2.gz ORCPWEWUGSMFDF-UHFFFAOYSA-N 0 1 378.889 3.148 20 0 GGADMN CO[C@]1(C)CCCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000567435088 567246663 /nfs/dbraw/zinc/24/66/63/567246663.db2.gz YLYFVYDSOOCGIG-QGZVFWFLSA-N 0 1 379.302 3.421 20 0 GGADMN Nc1cccc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)c1 ZINC000660013688 567247547 /nfs/dbraw/zinc/24/75/47/567247547.db2.gz TUXZIDNUXVUYMG-UHFFFAOYSA-N 0 1 378.289 3.488 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2C)CCN1CCOC ZINC000499438241 567248150 /nfs/dbraw/zinc/24/81/50/567248150.db2.gz UETSODMPIOXORI-MRXNPFEDSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2OC)CCN1CCOC ZINC000499440064 567248301 /nfs/dbraw/zinc/24/83/01/567248301.db2.gz GDLQWYXPUDPSBS-OAHLLOKOSA-N 0 1 399.329 3.031 20 0 GGADMN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2cc[nH]c21 ZINC000547822170 567248239 /nfs/dbraw/zinc/24/82/39/567248239.db2.gz RXDVPLODQOIADF-UHFFFAOYSA-N 0 1 398.893 3.167 20 0 GGADMN O=C(CSc1cccc2cccc(Cl)c21)Nc1nc(SCCO)n[nH]1 ZINC000475437117 567248845 /nfs/dbraw/zinc/24/88/45/567248845.db2.gz AJERXTQKHCERFX-UHFFFAOYSA-N 0 1 394.909 3.427 20 0 GGADMN CCc1ncc(S(=O)(=O)N(c2ccccc2)C2CCN(CC)CC2)s1 ZINC000567487050 567249250 /nfs/dbraw/zinc/24/92/50/567249250.db2.gz SAXMUMHESITGDB-UHFFFAOYSA-N 0 1 379.551 3.385 20 0 GGADMN CCC[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CCN1CCOC ZINC000499441259 567249188 /nfs/dbraw/zinc/24/91/88/567249188.db2.gz NDOFOHRCZFGZRK-GOSISDBHSA-N 0 1 397.357 3.341 20 0 GGADMN CCC[C@H]1CN(C(=O)CCc2cccc(Br)c2)CCN1CCOC ZINC000499441261 567249679 /nfs/dbraw/zinc/24/96/79/567249679.db2.gz NDOFOHRCZFGZRK-SFHVURJKSA-N 0 1 397.357 3.341 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(C)c(Br)c2)CCN1CCOC ZINC000499442042 567249743 /nfs/dbraw/zinc/24/97/43/567249743.db2.gz IZDBOPOYINUWDF-MRXNPFEDSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(Br)c(C)c2)CCN1CCOC ZINC000499454569 567249924 /nfs/dbraw/zinc/24/99/24/567249924.db2.gz LDFYAVNMNKIZDE-MRXNPFEDSA-N 0 1 383.330 3.330 20 0 GGADMN CSc1n[nH]c(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)n1 ZINC000684964210 567249979 /nfs/dbraw/zinc/24/99/79/567249979.db2.gz GTIRBWUWUAWNIZ-NHYWBVRUSA-N 0 1 379.283 3.132 20 0 GGADMN CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nc(SCCO)n[nH]3)cc2C1 ZINC000475457581 567250079 /nfs/dbraw/zinc/25/00/79/567250079.db2.gz IBATYVUEQSDIEM-NSHDSACASA-N 0 1 380.539 3.354 20 0 GGADMN CSc1n[nH]c(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n1 ZINC000684964211 567250537 /nfs/dbraw/zinc/25/05/37/567250537.db2.gz GTIRBWUWUAWNIZ-XHDPSFHLSA-N 0 1 379.283 3.132 20 0 GGADMN FC(F)(F)CN1CC[C@@H](NCc2nc3cc(Br)ccc3o2)C1 ZINC000638461328 567250920 /nfs/dbraw/zinc/25/09/20/567250920.db2.gz UOPRZODQSWCVCU-SNVBAGLBSA-N 0 1 378.192 3.317 20 0 GGADMN FC(F)(F)CN1CC[C@H](NCc2nc3cc(Br)ccc3o2)C1 ZINC000638461327 567251328 /nfs/dbraw/zinc/25/13/28/567251328.db2.gz UOPRZODQSWCVCU-JTQLQIEISA-N 0 1 378.192 3.317 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000590845480 567251659 /nfs/dbraw/zinc/25/16/59/567251659.db2.gz SWKDYULWGKDQJC-ZLIFDBKOSA-N 0 1 386.323 3.295 20 0 GGADMN CCCCNC(=O)NC(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000525488387 567251782 /nfs/dbraw/zinc/25/17/82/567251782.db2.gz PBOVWBHLRMYDLL-UHFFFAOYSA-N 0 1 396.329 3.038 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)n[nH]1 ZINC000684982211 567251933 /nfs/dbraw/zinc/25/19/33/567251933.db2.gz FSVRKPHSWZTCOM-GHMZBOCLSA-N 0 1 392.301 3.385 20 0 GGADMN C[C@@](O)(CN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(F)(F)F ZINC000567493957 567251850 /nfs/dbraw/zinc/25/18/50/567251850.db2.gz NYYDIIVCBMYQSB-BXUZGUMPSA-N 0 1 385.213 3.392 20 0 GGADMN C[C@](O)(CN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(F)(F)F ZINC000567493958 567251901 /nfs/dbraw/zinc/25/19/01/567251901.db2.gz NYYDIIVCBMYQSB-FZMZJTMJSA-N 0 1 385.213 3.392 20 0 GGADMN C[C@@](O)(CN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(F)(F)F ZINC000567493962 567251947 /nfs/dbraw/zinc/25/19/47/567251947.db2.gz NYYDIIVCBMYQSB-SMDDNHRTSA-N 0 1 385.213 3.392 20 0 GGADMN C[C@H](NC(=O)c1conc1C(C)(C)N)c1cc(F)c(Br)cc1F ZINC000638496672 567252220 /nfs/dbraw/zinc/25/22/20/567252220.db2.gz ZSNIBFXLLONJFO-ZETCQYMHSA-N 0 1 388.212 3.400 20 0 GGADMN C[C@@H](NC(=O)c1conc1C(C)(C)N)c1cc(F)c(Br)cc1F ZINC000638496671 567252356 /nfs/dbraw/zinc/25/23/56/567252356.db2.gz ZSNIBFXLLONJFO-SSDOTTSWSA-N 0 1 388.212 3.400 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1c(Cl)cccc1Br ZINC000616695147 567252712 /nfs/dbraw/zinc/25/27/12/567252712.db2.gz YTIAKKQSWVJZMV-JTQLQIEISA-N 0 1 385.649 3.002 20 0 GGADMN CCC(C)(C)N1CCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000616700483 567252830 /nfs/dbraw/zinc/25/28/30/567252830.db2.gz AEBFJGUYYBXKSA-UHFFFAOYSA-N 0 1 385.350 3.347 20 0 GGADMN COc1sc(CNCC(=O)N2Cc3ccccc3C2)cc1Br ZINC000475504444 567253187 /nfs/dbraw/zinc/25/31/87/567253187.db2.gz XXNXUNCWOHDLTM-UHFFFAOYSA-N 0 1 381.295 3.151 20 0 GGADMN NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000499494746 567253287 /nfs/dbraw/zinc/25/32/87/567253287.db2.gz NAESFLQCTIMMJE-UHFFFAOYSA-N 0 1 393.877 3.363 20 0 GGADMN CN(CC1([NH+](C)C)CCC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000567528909 567255124 /nfs/dbraw/zinc/25/51/24/567255124.db2.gz UBIWMRXSMQNBKK-UHFFFAOYSA-N 0 1 392.297 3.259 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000455266680 567255199 /nfs/dbraw/zinc/25/51/99/567255199.db2.gz IBIAOMQUNVBPFA-GFCCVEGCSA-N 0 1 398.301 3.184 20 0 GGADMN CC[C@H](CC(F)F)CN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000660068015 567255691 /nfs/dbraw/zinc/25/56/91/567255691.db2.gz RXSHYLFGENXHJG-HIFRSBDPSA-N 0 1 378.460 3.250 20 0 GGADMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCSc1ccc(F)cc1F ZINC000660063476 567255950 /nfs/dbraw/zinc/25/59/50/567255950.db2.gz NCHHWWWTCWHPRW-LBPRGKRZSA-N 0 1 386.489 3.397 20 0 GGADMN COC(=O)c1c(Br)ccc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1C ZINC000455274007 567256647 /nfs/dbraw/zinc/25/66/47/567256647.db2.gz ZOKPGCAEUVSXBE-PHIMTYICSA-N 0 1 398.301 3.100 20 0 GGADMN CCOc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(Cl)c1[O-] ZINC000638554907 567257659 /nfs/dbraw/zinc/25/76/59/567257659.db2.gz GNPHVLSENWBCCX-GHMZBOCLSA-N 0 1 380.794 3.044 20 0 GGADMN COc1cc2nccc(N3CCC(n4ccnn4)CC3)c2cc1Br ZINC000567606974 567261102 /nfs/dbraw/zinc/26/11/02/567261102.db2.gz ORXKSCNSWDUFJU-UHFFFAOYSA-N 0 1 388.269 3.439 20 0 GGADMN O=C1C[C@H](N2CCC[C@@H](C3CC3)C2)C(=O)N1c1ccc(Br)cc1 ZINC000685189373 567261423 /nfs/dbraw/zinc/26/14/23/567261423.db2.gz QEDSZZFENJNKLJ-CJNGLKHVSA-N 0 1 377.282 3.203 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccccc2SCCC(N)=O)c(Cl)c1 ZINC000591044917 567261487 /nfs/dbraw/zinc/26/14/87/567261487.db2.gz ZZPZVNHSZCQJMB-UHFFFAOYSA-N 0 1 384.910 3.417 20 0 GGADMN COc1ccc(CCC(=O)N2CCN(C3CCC3)CC2)cc1Br ZINC000499622006 567261691 /nfs/dbraw/zinc/26/16/91/567261691.db2.gz WJGQDVKLPBQNJP-UHFFFAOYSA-N 0 1 381.314 3.087 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(S(=O)(=O)NC)cc1)CCC2 ZINC000660100121 567261655 /nfs/dbraw/zinc/26/16/55/567261655.db2.gz PPEHWWHCVKGTKY-INIZCTEOSA-N 0 1 379.551 3.123 20 0 GGADMN O=C(NC[C@@H]1COCCN1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000638616941 567262174 /nfs/dbraw/zinc/26/21/74/567262174.db2.gz QPRICRHURWDHQO-CYBMUJFWSA-N 0 1 380.872 3.349 20 0 GGADMN O=C(NC[C@H]1COCCN1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000638616949 567262359 /nfs/dbraw/zinc/26/23/59/567262359.db2.gz QPRICRHURWDHQO-ZDUSSCGKSA-N 0 1 380.872 3.349 20 0 GGADMN C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000660112680 567262447 /nfs/dbraw/zinc/26/24/47/567262447.db2.gz KWIKJLWRJGPZDT-QMTHXVAHSA-N 0 1 375.824 3.061 20 0 GGADMN Cc1csc(CNS(=O)(=O)c2cc(Br)sc2Cl)n1 ZINC000433635060 567262763 /nfs/dbraw/zinc/26/27/63/567262763.db2.gz RTAVSRSAOAFMHN-UHFFFAOYSA-N 0 1 387.733 3.407 20 0 GGADMN C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000660112681 567262944 /nfs/dbraw/zinc/26/29/44/567262944.db2.gz KWIKJLWRJGPZDT-YGRLFVJLSA-N 0 1 375.824 3.061 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)sc1Cl ZINC000433625291 567263072 /nfs/dbraw/zinc/26/30/72/567263072.db2.gz LBRNVKCMBVNQQG-BDAKNGLRSA-N 0 1 399.763 3.069 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Br)sc1Cl ZINC000433625291 567263075 /nfs/dbraw/zinc/26/30/75/567263075.db2.gz LBRNVKCMBVNQQG-BDAKNGLRSA-N 0 1 399.763 3.069 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCN(C2CCC2)CC1 ZINC000499641393 567263178 /nfs/dbraw/zinc/26/31/78/567263178.db2.gz OCZQRKPLIPEFIY-UHFFFAOYSA-N 0 1 390.325 3.478 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)c2cccc(Br)c2O)C(=O)N1c1ccccc1 ZINC000525770663 567263759 /nfs/dbraw/zinc/26/37/59/567263759.db2.gz ZPZYZTPMJKAVET-XHDPSFHLSA-N 0 1 389.249 3.079 20 0 GGADMN Cc1ccoc1C(=O)NCCCNCc1nc2cc(Br)ccc2o1 ZINC000638671293 567263807 /nfs/dbraw/zinc/26/38/07/567263807.db2.gz XFANOKHMJSZLJO-UHFFFAOYSA-N 0 1 392.253 3.401 20 0 GGADMN CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1n[nH]c(C)n1 ZINC000475645661 567264242 /nfs/dbraw/zinc/26/42/42/567264242.db2.gz OHGLGSLRWXAYHM-UHFFFAOYSA-N 0 1 376.214 3.345 20 0 GGADMN O=C(NCc1cc(F)ccc1Br)c1cn[nH]c1-c1ccccn1 ZINC000567653220 567264503 /nfs/dbraw/zinc/26/45/03/567264503.db2.gz NEIUANFFUKAUFL-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN O=C(N[C@H]1CCc2sc(Cl)cc21)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000638673086 567264547 /nfs/dbraw/zinc/26/45/47/567264547.db2.gz IHPJASDYLWRCBW-ZFWWWQNUSA-N 0 1 383.945 3.143 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](n2ccnc2)C1)c1ccc(Br)cc1 ZINC000591083194 567265150 /nfs/dbraw/zinc/26/51/50/567265150.db2.gz QTLYORKLYRRBFP-PBHICJAKSA-N 0 1 391.313 3.160 20 0 GGADMN COCCC(=O)N1CCN(CC/C=C\c2ccc(Br)cc2)CC1 ZINC000475653293 567265472 /nfs/dbraw/zinc/26/54/72/567265472.db2.gz VEQGMLYBSGAXAN-RQOWECAXSA-N 0 1 381.314 3.033 20 0 GGADMN C[C@H]1CCN(CCNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000525819554 567265692 /nfs/dbraw/zinc/26/56/92/567265692.db2.gz TXONMBDRCZNROZ-LBPRGKRZSA-N 0 1 385.942 3.084 20 0 GGADMN O=S(=O)(C[C@H]1CCC(F)(F)C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000685289992 567266825 /nfs/dbraw/zinc/26/68/25/567266825.db2.gz IHXKDIQQRCDDNX-UONOGXRCSA-N 0 1 378.510 3.240 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)o1 ZINC000685294997 567267094 /nfs/dbraw/zinc/26/70/94/567267094.db2.gz AQXZIWNMQZJFLX-OAHLLOKOSA-N 0 1 378.485 3.107 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000591168779 567267578 /nfs/dbraw/zinc/26/75/78/567267578.db2.gz IDKSGTRIHRGHMX-SJORKVTESA-N 0 1 381.314 3.223 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000591168777 567268023 /nfs/dbraw/zinc/26/80/23/567268023.db2.gz IDKSGTRIHRGHMX-IAGOWNOFSA-N 0 1 381.314 3.223 20 0 GGADMN CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000567698594 567269189 /nfs/dbraw/zinc/26/91/89/567269189.db2.gz NECMFBHXHFKNGP-ZBEGNZNMSA-N 0 1 380.286 3.393 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1CC(=O)Nc1ccc(Br)cc1F ZINC000475705836 567269714 /nfs/dbraw/zinc/26/97/14/567269714.db2.gz MVKBFWCLFIIHIP-QGZVFWFLSA-N 0 1 387.293 3.400 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567713432 567270452 /nfs/dbraw/zinc/27/04/52/567270452.db2.gz NOEFNDDNSGOCPC-JTQLQIEISA-N 0 1 375.226 3.252 20 0 GGADMN Cn1c(CNC[C@H](O)COc2ccccc2Cl)nc2cccc(Cl)c21 ZINC000567710390 567271097 /nfs/dbraw/zinc/27/10/97/567271097.db2.gz KBZUKZSPCYHDEW-LBPRGKRZSA-N 0 1 380.275 3.410 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000638826207 567271216 /nfs/dbraw/zinc/27/12/16/567271216.db2.gz LVUVXBQTARCDIV-QJPTWQEYSA-N 0 1 377.432 3.296 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000455407817 567271391 /nfs/dbraw/zinc/27/13/91/567271391.db2.gz IKXDKDCNQAEYAM-LBPRGKRZSA-N 0 1 392.301 3.340 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(Br)c1)[C@H](O)C(F)(F)F ZINC000685413540 567271503 /nfs/dbraw/zinc/27/15/03/567271503.db2.gz KXKVCQVKPFHLKQ-XDTLVQLUSA-N 0 1 397.235 3.314 20 0 GGADMN Cc1cc(NC(=O)c2nc(C3(c4ccccc4Br)CC3)no2)no1 ZINC000685396706 567271562 /nfs/dbraw/zinc/27/15/62/567271562.db2.gz ANDVLUWHZJGEQR-UHFFFAOYSA-N 0 1 389.209 3.461 20 0 GGADMN C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(Br)c3[O-])n1)OC2 ZINC000685401827 567271595 /nfs/dbraw/zinc/27/15/95/567271595.db2.gz BZPDAYSPKJJRHY-MLGOLLRUSA-N 0 1 380.242 3.131 20 0 GGADMN CC(C)CN1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 ZINC000685407066 567272245 /nfs/dbraw/zinc/27/22/45/567272245.db2.gz MXGQPACPLDPURY-UHFFFAOYSA-N 0 1 376.298 3.411 20 0 GGADMN CC(C)[C@H](C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000475764315 567273023 /nfs/dbraw/zinc/27/30/23/567273023.db2.gz ZXVJMHJNNGDFSO-AWEZNQCLSA-N 0 1 382.346 3.427 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)C3(C)CCC3)cc2Br)CC1 ZINC000475761064 567273416 /nfs/dbraw/zinc/27/34/16/567273416.db2.gz PVHCAALHRGFJCF-UHFFFAOYSA-N 0 1 380.330 3.325 20 0 GGADMN CCN1CC[C@@H](N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000685431716 567274035 /nfs/dbraw/zinc/27/40/35/567274035.db2.gz HFCOZCDUXRZUSD-QZTJIDSGSA-N 0 1 388.309 3.338 20 0 GGADMN CCN1CC[C@H](N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000685431717 567274182 /nfs/dbraw/zinc/27/41/82/567274182.db2.gz HFCOZCDUXRZUSD-ROUUACIJSA-N 0 1 388.309 3.338 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)c1ccsc1 ZINC000525924460 567274727 /nfs/dbraw/zinc/27/47/27/567274727.db2.gz LMWDHVFSZJELDB-AWEZNQCLSA-N 0 1 393.310 3.420 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000685444913 567275028 /nfs/dbraw/zinc/27/50/28/567275028.db2.gz XNFCUVFFTBHSGR-UHFFFAOYSA-N 0 1 383.589 3.037 20 0 GGADMN C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cc(F)c(Br)c(Cl)c3)C[C@@H]21 ZINC000455443150 567275866 /nfs/dbraw/zinc/27/58/66/567275866.db2.gz WBHRHOMPGXGQBO-PELKAZGASA-N 0 1 376.657 3.409 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2cc(Br)ccn2)cc1F ZINC000499847232 567276539 /nfs/dbraw/zinc/27/65/39/567276539.db2.gz PVJRFVXTOWECBZ-UHFFFAOYSA-N 0 1 381.249 3.367 20 0 GGADMN CN(CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCSC1 ZINC000475786623 567277202 /nfs/dbraw/zinc/27/72/02/567277202.db2.gz DKDFAKOSRSGHTI-ZIAGYGMSSA-N 0 1 388.364 3.126 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c(Br)c1 ZINC000475797613 567277307 /nfs/dbraw/zinc/27/73/07/567277307.db2.gz MMKFAWGSUWHCNN-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2nc3ccccc3cc2Br)CCN1C ZINC000685482807 567277537 /nfs/dbraw/zinc/27/75/37/567277537.db2.gz PMJQYKOEGRBZNK-INIZCTEOSA-N 0 1 376.298 3.410 20 0 GGADMN CCN1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C[C@H]1C ZINC000617030054 567278452 /nfs/dbraw/zinc/27/84/52/567278452.db2.gz YJKTWYKBECRCGF-LLVKDONJSA-N 0 1 398.301 3.102 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000567796299 567278513 /nfs/dbraw/zinc/27/85/13/567278513.db2.gz QRSDBBVUKKAPDO-KDOFPFPSSA-N 0 1 388.309 3.152 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000567796300 567279240 /nfs/dbraw/zinc/27/92/40/567279240.db2.gz QRSDBBVUKKAPDO-KSSFIOAISA-N 0 1 388.309 3.152 20 0 GGADMN C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)Oc1ccc(Br)cc1 ZINC000499877993 567279512 /nfs/dbraw/zinc/27/95/12/567279512.db2.gz PYPRZRKCSBQXGB-GFCCVEGCSA-N 0 1 388.265 3.452 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Br)ccc1F ZINC000591386623 567280192 /nfs/dbraw/zinc/28/01/92/567280192.db2.gz OOLVZCYWOXEQSE-GFCCVEGCSA-N 0 1 393.322 3.131 20 0 GGADMN CC(C)Cc1ncc(NS(=O)(=O)c2cc(Br)ccc2F)cn1 ZINC000475825701 567280126 /nfs/dbraw/zinc/28/01/26/567280126.db2.gz BSXLGOKPUZEEPG-UHFFFAOYSA-N 0 1 388.262 3.378 20 0 GGADMN Cc1cc(=O)c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cn1C1CC1 ZINC000499873842 567280429 /nfs/dbraw/zinc/28/04/29/567280429.db2.gz ISMXSYQZDBMGAR-UHFFFAOYSA-N 0 1 387.237 3.383 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000525984226 567280506 /nfs/dbraw/zinc/28/05/06/567280506.db2.gz LHCHVVMBTMHPDM-HNNXBMFYSA-N 0 1 393.260 3.457 20 0 GGADMN COC(=O)c1ccc(CN2CCC(n3cc(Br)cn3)CC2)c(F)c1 ZINC000548095247 567280699 /nfs/dbraw/zinc/28/06/99/567280699.db2.gz AGVIXOIOYZQJTM-UHFFFAOYSA-N 0 1 396.260 3.408 20 0 GGADMN COc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCS3(=O)=O)CCS2 ZINC000525973473 567280681 /nfs/dbraw/zinc/28/06/81/567280681.db2.gz PXIDAJVHFOFLFS-QGZVFWFLSA-N 0 1 375.515 3.352 20 0 GGADMN Cc1csc([C@@H](C)CNC(=O)[C@](C)(N)c2ccc(Br)cc2)n1 ZINC000567826192 567281193 /nfs/dbraw/zinc/28/11/93/567281193.db2.gz UVNVHEKYZIKAHJ-MGPLVRAMSA-N 0 1 382.327 3.308 20 0 GGADMN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)cn1 ZINC000526000107 567281442 /nfs/dbraw/zinc/28/14/42/567281442.db2.gz IOQKQXVMJHWRHS-NSHDSACASA-N 0 1 376.233 3.415 20 0 GGADMN COc1ccc(Sc2nsc(NC(=O)NCc3cc(C)[nH]n3)n2)cc1 ZINC000685553680 567282354 /nfs/dbraw/zinc/28/23/54/567282354.db2.gz CQBDPGXAQNAYJV-UHFFFAOYSA-N 0 1 376.467 3.051 20 0 GGADMN COc1ncc(CNCCC(=O)Nc2ccc(Br)cc2C)s1 ZINC000639041467 567282608 /nfs/dbraw/zinc/28/26/08/567282608.db2.gz KOCHIDSZPKLPOO-UHFFFAOYSA-N 0 1 384.299 3.341 20 0 GGADMN O=C(NCc1nnc[nH]1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000591441198 567282815 /nfs/dbraw/zinc/28/28/15/567282815.db2.gz KSXIRNWDTLVVGI-UHFFFAOYSA-N 0 1 375.215 3.273 20 0 GGADMN O=C(NCc1cnc(C2CC2)o1)NCc1nc2cccc(Br)c2[nH]1 ZINC000567854305 567283118 /nfs/dbraw/zinc/28/31/18/567283118.db2.gz SJYGSCXAXMCNBX-UHFFFAOYSA-N 0 1 390.241 3.190 20 0 GGADMN CCOc1cc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc(Br)c1OC ZINC000567853723 567283545 /nfs/dbraw/zinc/28/35/45/567283545.db2.gz LYNBQNYNNBGCMR-AWEZNQCLSA-N 0 1 399.329 3.345 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccncc2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660243435 567284101 /nfs/dbraw/zinc/28/41/01/567284101.db2.gz YYAVBFOFUNLZLT-CQSZACIVSA-N 0 1 399.292 3.468 20 0 GGADMN Cc1ccc(CCN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)o1 ZINC000526041668 567284564 /nfs/dbraw/zinc/28/45/64/567284564.db2.gz SUYGUJMBEPJHIA-SNVBAGLBSA-N 0 1 377.293 3.436 20 0 GGADMN COc1cc(CNCCC(=O)Nc2ccc(Br)cc2C)sn1 ZINC000639042461 567284774 /nfs/dbraw/zinc/28/47/74/567284774.db2.gz WOIPQDDKNTYBAK-UHFFFAOYSA-N 0 1 384.299 3.341 20 0 GGADMN Brc1cnc2c(CN3CC[C@@]4(C3)OCc3ccccc34)cnn2c1 ZINC000639055590 567284869 /nfs/dbraw/zinc/28/48/69/567284869.db2.gz YNFPGEHETSIWIU-SFHVURJKSA-N 0 1 385.265 3.123 20 0 GGADMN Cc1cc(N2CCC(NCc3nc4cc(Br)ccc4o3)CC2)n[nH]1 ZINC000639088629 567285452 /nfs/dbraw/zinc/28/54/52/567285452.db2.gz YROXXFNUXXXNIV-UHFFFAOYSA-N 0 1 390.285 3.380 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1nnc[nH]1 ZINC000685595660 567285490 /nfs/dbraw/zinc/28/54/90/567285490.db2.gz ZCUIZSDQEPXSSK-LLVKDONJSA-N 0 1 378.841 3.290 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccc(Br)cc1)CO2 ZINC000567891367 567285806 /nfs/dbraw/zinc/28/58/06/567285806.db2.gz BSMUGNRMXFWHLL-RHSMWYFYSA-N 0 1 378.266 3.221 20 0 GGADMN CCSc1cc(CNCc2cnn3cc(Br)cnc23)ccn1 ZINC000639088098 567286245 /nfs/dbraw/zinc/28/62/45/567286245.db2.gz FWIHZDWZPLVYBP-UHFFFAOYSA-N 0 1 378.299 3.289 20 0 GGADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000685605068 567287012 /nfs/dbraw/zinc/28/70/12/567287012.db2.gz QIPHVFUMEIPVSF-AAEUAGOBSA-N 0 1 382.917 3.075 20 0 GGADMN OC[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1cccc(Cl)c1F ZINC000499951233 567287371 /nfs/dbraw/zinc/28/73/71/567287371.db2.gz SHZJCKGJKUDSAQ-DYVFJYSZSA-N 0 1 388.266 3.333 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000567905800 567287884 /nfs/dbraw/zinc/28/78/84/567287884.db2.gz RSJCKDJLKBQYLX-UHFFFAOYSA-N 0 1 392.297 3.259 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000567905800 567287892 /nfs/dbraw/zinc/28/78/92/567287892.db2.gz RSJCKDJLKBQYLX-UHFFFAOYSA-N 0 1 392.297 3.259 20 0 GGADMN OC[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000499954741 567287873 /nfs/dbraw/zinc/28/78/73/567287873.db2.gz YCXZHTBZHDHGLZ-YOEHRIQHSA-N 0 1 388.266 3.333 20 0 GGADMN O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c([O-])cnc2c(Br)cccc21 ZINC000685622134 567288230 /nfs/dbraw/zinc/28/82/30/567288230.db2.gz DCMIXVRSMOLOJZ-NEPJUHHUSA-N 0 1 390.281 3.060 20 0 GGADMN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c([O-])cnc2c(Br)cccc21 ZINC000685622134 567288234 /nfs/dbraw/zinc/28/82/34/567288234.db2.gz DCMIXVRSMOLOJZ-NEPJUHHUSA-N 0 1 390.281 3.060 20 0 GGADMN CCCCn1c(=O)[nH]nc1SCC(=O)Cc1cccc(Br)c1 ZINC000475940599 567288996 /nfs/dbraw/zinc/28/89/96/567288996.db2.gz PWBFGRNPTUDCGX-UHFFFAOYSA-N 0 1 384.299 3.450 20 0 GGADMN COc1ccc([C@@H](N[C@H](C)C(=O)NCCF)C(C)C)c(Br)c1 ZINC000685654519 567289881 /nfs/dbraw/zinc/28/98/81/567289881.db2.gz LMMFGCMMFMPQNB-ABAIWWIYSA-N 0 1 375.282 3.219 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Nc2nc(Sc3ccc(C)cc3)ns2)n[nH]1 ZINC000685658304 567290884 /nfs/dbraw/zinc/29/08/84/567290884.db2.gz GZBQKXVNGDUROR-SECBINFHSA-N 0 1 375.483 3.307 20 0 GGADMN NC(=O)[C@@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1cccc(Br)c1 ZINC000639122874 567291174 /nfs/dbraw/zinc/29/11/74/567291174.db2.gz GYECPPOPBNKKMR-GJZGRUSLSA-N 0 1 392.301 3.005 20 0 GGADMN O=C(NCCOc1ccc(Br)cc1)c1[nH]nc2c1CCCCC2 ZINC000475989818 567291597 /nfs/dbraw/zinc/29/15/97/567291597.db2.gz WVNYSYHSPZZITP-UHFFFAOYSA-N 0 1 378.270 3.250 20 0 GGADMN CSc1nnc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)s1 ZINC000526090139 567291700 /nfs/dbraw/zinc/29/17/00/567291700.db2.gz ZZDKHRFFSVGGNR-GFCCVEGCSA-N 0 1 385.946 3.016 20 0 GGADMN COc1ccccc1C1(CN[C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591689397 567291623 /nfs/dbraw/zinc/29/16/23/567291623.db2.gz BBZUORSMACJRJD-KRWDZBQOSA-N 0 1 389.293 3.306 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000591683917 567291759 /nfs/dbraw/zinc/29/17/59/567291759.db2.gz WIMHZOIFGGTBCL-UHFFFAOYSA-N 0 1 380.853 3.058 20 0 GGADMN COCCN1CCC[C@H](NC(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000685716210 567292961 /nfs/dbraw/zinc/29/29/61/567292961.db2.gz DUQRBQIMZULFHC-INIZCTEOSA-N 0 1 397.357 3.262 20 0 GGADMN CNS(=O)(=O)c1ccc(CN(C)[C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000660433073 567294599 /nfs/dbraw/zinc/29/45/99/567294599.db2.gz SRBWEZWYWLCLCF-GOSISDBHSA-N 0 1 382.913 3.068 20 0 GGADMN CCc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1cnc[nH]1 ZINC000476083200 567294568 /nfs/dbraw/zinc/29/45/68/567294568.db2.gz IWPZTDBLRGLLCP-UHFFFAOYSA-N 0 1 375.226 3.320 20 0 GGADMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000685759384 567295046 /nfs/dbraw/zinc/29/50/46/567295046.db2.gz MUPZWBVPFSXMKA-CQSZACIVSA-N 0 1 398.345 3.241 20 0 GGADMN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639184829 567295489 /nfs/dbraw/zinc/29/54/89/567295489.db2.gz GAZRZHBSPBJEET-NSHDSACASA-N 0 1 376.400 3.009 20 0 GGADMN CCC[C@H](NC(=O)Cc1csc2ccc(Br)cc12)c1nn[nH]n1 ZINC000526915002 567296766 /nfs/dbraw/zinc/29/67/66/567296766.db2.gz QYVSOOOIZPJQTB-LBPRGKRZSA-N 0 1 394.298 3.377 20 0 GGADMN CN(Cc1ccccc1)C[C@@H](O)CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000591776207 567296970 /nfs/dbraw/zinc/29/69/70/567296970.db2.gz ADQQTAQXVDWANN-AVRWGWEMSA-N 0 1 380.941 3.123 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccn1)N1CCc2sc(Br)cc2C1 ZINC000685791079 567297382 /nfs/dbraw/zinc/29/73/82/567297382.db2.gz BFAPGXMEZPCZFA-UHFFFAOYSA-N 0 1 389.278 3.494 20 0 GGADMN CCN(CC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000476101347 567297596 /nfs/dbraw/zinc/29/75/96/567297596.db2.gz VBLANGZIXDRBEH-OAHLLOKOSA-N 0 1 384.307 3.089 20 0 GGADMN Cc1ccc(C[N@H+](CCc2cn[nH]n2)C[C@H]2CCCO2)c(Br)c1 ZINC000660463540 567298015 /nfs/dbraw/zinc/29/80/15/567298015.db2.gz FAEXNJOAAPKNHE-MRXNPFEDSA-N 0 1 379.302 3.099 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCCCC2)C1 ZINC000500078844 567298017 /nfs/dbraw/zinc/29/80/17/567298017.db2.gz XPSAQQUXLHHANW-OAHLLOKOSA-N 0 1 376.444 3.095 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000568029522 567299093 /nfs/dbraw/zinc/29/90/93/567299093.db2.gz LKLYWVBUAXBMEW-ISVAXAHUSA-N 0 1 390.698 3.184 20 0 GGADMN Cc1cc(C(C)(C)NC(=O)NCc2n[nH]c(C3CC3)n2)ccc1Br ZINC000568043045 567299467 /nfs/dbraw/zinc/29/94/67/567299467.db2.gz KPBZDPBIGPWNGF-UHFFFAOYSA-N 0 1 392.301 3.488 20 0 GGADMN COc1ccc([C@H](CO)CNCc2nc3cc(Br)ccc3o2)cc1 ZINC000639259730 567299503 /nfs/dbraw/zinc/29/95/03/567299503.db2.gz UBZDSFKVIVJOTJ-ZDUSSCGKSA-N 0 1 391.265 3.465 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1Cl ZINC000591817002 567299920 /nfs/dbraw/zinc/29/99/20/567299920.db2.gz ONQGKRZZDDVOFJ-VXGBXAGGSA-N 0 1 395.352 3.401 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000591816999 567300394 /nfs/dbraw/zinc/30/03/94/567300394.db2.gz ONQGKRZZDDVOFJ-NWDGAFQWSA-N 0 1 395.352 3.401 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000500109453 567300800 /nfs/dbraw/zinc/30/08/00/567300800.db2.gz MRBGPBXAUHVSBH-CYBMUJFWSA-N 0 1 393.322 3.131 20 0 GGADMN Fc1ccc(Br)c(F)c1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000500128327 567301086 /nfs/dbraw/zinc/30/10/86/567301086.db2.gz YOIJLOYMMQBPEK-CYBMUJFWSA-N 0 1 389.284 3.272 20 0 GGADMN Cc1ccc(CCC(=O)Nc2ccn(-c3ccncc3)n2)c(Br)c1 ZINC000476163394 567301421 /nfs/dbraw/zinc/30/14/21/567301421.db2.gz SRZHEYVIWLOXPR-UHFFFAOYSA-N 0 1 385.265 3.331 20 0 GGADMN O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N[C@H](c1cncc(Br)c1)C1CC1 ZINC000660497225 567301654 /nfs/dbraw/zinc/30/16/54/567301654.db2.gz UQEYAQCCNXMFBG-VZEFYGNVSA-N 0 1 378.314 3.332 20 0 GGADMN C[C@H](O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000476170169 567301734 /nfs/dbraw/zinc/30/17/34/567301734.db2.gz UKDSSNSHABTXPI-MEDUHNTESA-N 0 1 378.270 3.215 20 0 GGADMN CC(C)[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@H](O)C(F)(F)F ZINC000660524347 567303889 /nfs/dbraw/zinc/30/38/89/567303889.db2.gz BJAPTRDVKUFKKK-UVBJJODRSA-N 0 1 380.838 3.397 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000568098668 567304165 /nfs/dbraw/zinc/30/41/65/567304165.db2.gz NMYDAIBGYSHBID-HOCLYGCPSA-N 0 1 381.519 3.387 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000568098666 567304372 /nfs/dbraw/zinc/30/43/72/567304372.db2.gz NMYDAIBGYSHBID-GDBMZVCRSA-N 0 1 381.519 3.387 20 0 GGADMN COc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000685851316 567304542 /nfs/dbraw/zinc/30/45/42/567304542.db2.gz IEIQMUJDGDYMLW-DLBZAZTESA-N 0 1 384.314 3.258 20 0 GGADMN COc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000685851318 567304643 /nfs/dbraw/zinc/30/46/43/567304643.db2.gz IEIQMUJDGDYMLW-IAGOWNOFSA-N 0 1 384.314 3.258 20 0 GGADMN CC[C@H](NCC(=O)N(C)Cc1cnn(C)c1)c1cc(F)cc(Br)c1 ZINC000548275101 567304712 /nfs/dbraw/zinc/30/47/12/567304712.db2.gz DJKJYELEENHVQK-INIZCTEOSA-N 0 1 397.292 3.021 20 0 GGADMN COc1ccc(Br)c(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000685851744 567304807 /nfs/dbraw/zinc/30/48/07/567304807.db2.gz QXPMAMYGUZVQHC-SJORKVTESA-N 0 1 384.314 3.258 20 0 GGADMN Brc1ccccc1-n1cc(CN2CCC3(CCOCC3)CC2)nn1 ZINC000685846892 567304928 /nfs/dbraw/zinc/30/49/28/567304928.db2.gz YUEPIJCJWQBPLE-UHFFFAOYSA-N 0 1 391.313 3.422 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H](O)C(F)(F)F ZINC000660528690 567306308 /nfs/dbraw/zinc/30/63/08/567306308.db2.gz OUUFJMXWRFFMLS-GVARAGBVSA-N 0 1 380.838 3.443 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660528609 567306325 /nfs/dbraw/zinc/30/63/25/567306325.db2.gz NMAGCZYWXYKMTK-RCBQFDQVSA-N 0 1 378.460 3.121 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCc3cc(Br)cc(F)c3C2)[nH]1 ZINC000527028718 567306501 /nfs/dbraw/zinc/30/65/01/567306501.db2.gz OHHRWHOHWMIDDT-UHFFFAOYSA-N 0 1 399.289 3.082 20 0 GGADMN O=S(=O)(NC[C@@H]1CCC[N@H+](CCSc2cccc(Cl)c2)C1)C1CC1 ZINC000660557367 567307370 /nfs/dbraw/zinc/30/73/70/567307370.db2.gz LPVLGPPIKMZWPC-AWEZNQCLSA-N 0 1 388.986 3.226 20 0 GGADMN O=c1[n-]c([C@@H]2CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)n[nH]1 ZINC000660557167 567307691 /nfs/dbraw/zinc/30/76/91/567307691.db2.gz KPFPCQMCFCLKHM-SNVBAGLBSA-N 0 1 377.242 3.399 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(OC)cc1Cl ZINC000592002491 567308544 /nfs/dbraw/zinc/30/85/44/567308544.db2.gz KAGVCNZMNUHTMY-SNVBAGLBSA-N 0 1 383.853 3.481 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1Cl ZINC000592002489 567308686 /nfs/dbraw/zinc/30/86/86/567308686.db2.gz JFTFJLFARSFDSR-SNVBAGLBSA-N 0 1 383.853 3.481 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000685901730 567308763 /nfs/dbraw/zinc/30/87/63/567308763.db2.gz MAXPHUCMBOBMHB-UHFFFAOYSA-N 0 1 378.397 3.283 20 0 GGADMN O=S(=O)(CCOCC(F)(F)F)Nc1ccc(F)cc1OC1CCCC1 ZINC000685901484 567308841 /nfs/dbraw/zinc/30/88/41/567308841.db2.gz AVBUFYXBDGMDON-UHFFFAOYSA-N 0 1 385.379 3.468 20 0 GGADMN COc1cccc(OC)c1S(=O)(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000685902393 567309322 /nfs/dbraw/zinc/30/93/22/567309322.db2.gz QMXNKGJKVQUNDQ-UHFFFAOYSA-N 0 1 376.356 3.227 20 0 GGADMN OC[C@H](Cc1ccc(F)cc1)NCc1cc2c(cc1Br)OCO2 ZINC000500245672 567309418 /nfs/dbraw/zinc/30/94/18/567309418.db2.gz XMOXMDPEYLOFCO-AWEZNQCLSA-N 0 1 382.229 3.010 20 0 GGADMN C[S@](=O)c1ccc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000500242010 567309828 /nfs/dbraw/zinc/30/98/28/567309828.db2.gz NJSALCDRTSFYQM-CANCMXDXSA-N 0 1 380.872 3.112 20 0 GGADMN COC(=O)c1cn([C@H]2CCCN(CCc3cccc(Cl)c3Cl)C2)nn1 ZINC000434485894 567309914 /nfs/dbraw/zinc/30/99/14/567309914.db2.gz WYFYDJXUBKZQLA-ZDUSSCGKSA-N 0 1 383.279 3.251 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cccnc2N2CCCC2)c1 ZINC000685912271 567310042 /nfs/dbraw/zinc/31/00/42/567310042.db2.gz VWYJYAXBRZWBBS-UHFFFAOYSA-N 0 1 381.885 3.282 20 0 GGADMN O=C1CCCN1[C@@H]1CCCN(CCOc2cc(F)cc(Br)c2)C1 ZINC000527074250 567310418 /nfs/dbraw/zinc/31/04/18/567310418.db2.gz PRWKEHGPNVYNNO-OAHLLOKOSA-N 0 1 385.277 3.054 20 0 GGADMN Cc1ncc(CNC(=O)CCN2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)s1 ZINC000639504892 567311943 /nfs/dbraw/zinc/31/19/43/567311943.db2.gz URDLUBFXPJDMLX-PHIMTYICSA-N 0 1 389.365 3.130 20 0 GGADMN O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCC(O)(C(F)(F)F)CC1 ZINC000639550600 567312287 /nfs/dbraw/zinc/31/22/87/567312287.db2.gz XDOSMVDJBIEPRG-LBPRGKRZSA-N 0 1 388.213 3.122 20 0 GGADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000617467084 567312380 /nfs/dbraw/zinc/31/23/80/567312380.db2.gz XCOWPHXIIFZCGE-ZETCQYMHSA-N 0 1 378.397 3.163 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2ccc(Br)cc2OC(C)C)C1 ZINC000592090126 567313147 /nfs/dbraw/zinc/31/31/47/567313147.db2.gz BIJHLGQCEPDGKD-HNNXBMFYSA-N 0 1 399.329 3.077 20 0 GGADMN COCCN1CCC[C@H](NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000592090139 567314712 /nfs/dbraw/zinc/31/47/12/567314712.db2.gz BPEXQILIJSQEDY-LBPRGKRZSA-N 0 1 399.969 3.295 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000592094004 567314808 /nfs/dbraw/zinc/31/48/08/567314808.db2.gz RWTGDRNCULJNQI-CYBMUJFWSA-N 0 1 379.913 3.304 20 0 GGADMN C[C@H]1CN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC2(CCOCC2)O1 ZINC000639616558 567315452 /nfs/dbraw/zinc/31/54/52/567315452.db2.gz ASIJFCLJTIBWIJ-XJKSGUPXSA-N 0 1 390.307 3.003 20 0 GGADMN O=c1cc(CN[C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc[nH]1 ZINC000639619487 567315592 /nfs/dbraw/zinc/31/55/92/567315592.db2.gz DTTKULLHYUCWHR-CYBMUJFWSA-N 0 1 391.187 3.392 20 0 GGADMN Cn1nccc1N1CCC[C@@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000500368494 567315755 /nfs/dbraw/zinc/31/57/55/567315755.db2.gz WYKRNLKTKMAHHI-LLVKDONJSA-N 0 1 385.256 3.219 20 0 GGADMN Cn1nccc1N1CCC[C@H](NCc2c(F)ccc(Br)c2F)C1 ZINC000500368496 567316016 /nfs/dbraw/zinc/31/60/16/567316016.db2.gz WYKRNLKTKMAHHI-NSHDSACASA-N 0 1 385.256 3.219 20 0 GGADMN CN1CCC[C@@H](CSc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000568268372 567316462 /nfs/dbraw/zinc/31/64/62/567316462.db2.gz VYLIXYKDVYMRGB-NSHDSACASA-N 0 1 381.299 3.195 20 0 GGADMN Brc1cnc2c(c1)nccc2N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000548441672 567316573 /nfs/dbraw/zinc/31/65/73/567316573.db2.gz WFSNPNREJRGPNX-RHSMWYFYSA-N 0 1 391.313 3.448 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NC[C@H]3CCCCS3)c12 ZINC000568275096 567316789 /nfs/dbraw/zinc/31/67/89/567316789.db2.gz RGUQUMVRKQFUKH-LLVKDONJSA-N 0 1 380.539 3.457 20 0 GGADMN Brc1cnc2c(c1)nccc2N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000548441671 567316829 /nfs/dbraw/zinc/31/68/29/567316829.db2.gz WFSNPNREJRGPNX-PBHICJAKSA-N 0 1 391.313 3.448 20 0 GGADMN CN1CCC[C@H](CSc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000568268371 567317117 /nfs/dbraw/zinc/31/71/17/567317117.db2.gz VYLIXYKDVYMRGB-LLVKDONJSA-N 0 1 381.299 3.195 20 0 GGADMN CCOCC[C@@H](O)CN1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000434633041 567317459 /nfs/dbraw/zinc/31/74/59/567317459.db2.gz CZPOYMLREULNJD-MOPGFXCFSA-N 0 1 399.373 3.305 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3cc(Br)ccc3c2)CCN1C ZINC000476342112 567317487 /nfs/dbraw/zinc/31/74/87/567317487.db2.gz MTHKLARJUNMHCD-LRDDRELGSA-N 0 1 397.338 3.363 20 0 GGADMN CCOCC[C@H](O)CN1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000434633042 567317710 /nfs/dbraw/zinc/31/77/10/567317710.db2.gz CZPOYMLREULNJD-OALUTQOASA-N 0 1 399.373 3.305 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC[C@H](C)C1 ZINC000500418316 567319398 /nfs/dbraw/zinc/31/93/98/567319398.db2.gz ZDIJMPFGOHBUNB-GJZGRUSLSA-N 0 1 379.551 3.209 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1c[nH]c2ncc(Br)cc12 ZINC000660690399 567319425 /nfs/dbraw/zinc/31/94/25/567319425.db2.gz BLFZPRZMQXBVEH-APHBMKBZSA-N 0 1 392.297 3.134 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000568339263 567319570 /nfs/dbraw/zinc/31/95/70/567319570.db2.gz GVUHXNKWLIGBAC-UHFFFAOYSA-N 0 1 383.223 3.405 20 0 GGADMN C[C@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCC(C)CC1 ZINC000500402173 567319563 /nfs/dbraw/zinc/31/95/63/567319563.db2.gz YORGJBYEAYVHCU-OAHLLOKOSA-N 0 1 379.551 3.209 20 0 GGADMN O=C(CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1cccc(Cl)c1Cl ZINC000639767082 567319887 /nfs/dbraw/zinc/31/98/87/567319887.db2.gz MKRCPDRWIXVEFA-PBHICJAKSA-N 0 1 387.307 3.232 20 0 GGADMN CC[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1Br ZINC000548485321 567320013 /nfs/dbraw/zinc/32/00/13/567320013.db2.gz WVPNXNGKDRTPPY-HNNXBMFYSA-N 0 1 394.313 3.354 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000476396405 567320040 /nfs/dbraw/zinc/32/00/40/567320040.db2.gz IZTOHEWTNPKWOH-UHFFFAOYSA-N 0 1 396.266 3.443 20 0 GGADMN O=c1cc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)[nH]c2ccnn21 ZINC000548496543 567320281 /nfs/dbraw/zinc/32/02/81/567320281.db2.gz MYTVLHWAYUNDGW-KRWDZBQOSA-N 0 1 391.244 3.165 20 0 GGADMN O=c1cc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)[nH]c2ccnn21 ZINC000548496544 567320406 /nfs/dbraw/zinc/32/04/06/567320406.db2.gz MYTVLHWAYUNDGW-QGZVFWFLSA-N 0 1 391.244 3.165 20 0 GGADMN O=C(CN[C@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1c(Cl)cccc1Cl ZINC000639766817 567320842 /nfs/dbraw/zinc/32/08/42/567320842.db2.gz NCKYBXRANAVCBJ-RHSMWYFYSA-N 0 1 387.307 3.232 20 0 GGADMN CC1(C)CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CCS1 ZINC000434713844 567322485 /nfs/dbraw/zinc/32/24/85/567322485.db2.gz KUUPOSBBVJQRRS-UHFFFAOYSA-N 0 1 376.444 3.419 20 0 GGADMN C[C@H](CN1CCOCC1)N(C)Cc1cccc(Br)c1OC(F)F ZINC000434697739 567322582 /nfs/dbraw/zinc/32/25/82/567322582.db2.gz BCJLVCQTHSQANT-GFCCVEGCSA-N 0 1 393.272 3.203 20 0 GGADMN Cc1cc(=O)[nH]c(C(C)(C)NCCC(=O)Nc2ccc(Br)cc2)n1 ZINC000660748014 567323936 /nfs/dbraw/zinc/32/39/36/567323936.db2.gz XIEDHZHRTYSBPL-UHFFFAOYSA-N 0 1 393.285 3.107 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)N(CCN(C)C)Cc1cccs1 ZINC000434746602 567323928 /nfs/dbraw/zinc/32/39/28/567323928.db2.gz MPXOVKXVVZSHHZ-UHFFFAOYSA-N 0 1 382.551 3.126 20 0 GGADMN O=S(=O)(Nc1ccc(Br)cc1Cl)c1cn2c(n1)CCCC2 ZINC000500472388 567324459 /nfs/dbraw/zinc/32/44/59/567324459.db2.gz SYSKIDYPOKMVQS-UHFFFAOYSA-N 0 1 390.690 3.436 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCCN1C1CC1)c1ccc(CC(F)(F)F)cc1 ZINC000434765133 567325477 /nfs/dbraw/zinc/32/54/77/567325477.db2.gz LDCIOMFEZGARPE-HNNXBMFYSA-N 0 1 376.444 3.087 20 0 GGADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(C)CC1(C)C ZINC000500493068 567325478 /nfs/dbraw/zinc/32/54/78/567325478.db2.gz MUXJSYMHUOVLPV-INIZCTEOSA-N 0 1 397.357 3.197 20 0 GGADMN O=S(=O)(NC[C@H]1CCCCN1C1CC1)c1ccc(CC(F)(F)F)cc1 ZINC000434765137 567325836 /nfs/dbraw/zinc/32/58/36/567325836.db2.gz LDCIOMFEZGARPE-OAHLLOKOSA-N 0 1 376.444 3.087 20 0 GGADMN NC(=O)C[C@@H](NC(=O)c1n[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000500490911 567326413 /nfs/dbraw/zinc/32/64/13/567326413.db2.gz MNGGZTLDHRABKS-CQSZACIVSA-N 0 1 377.231 3.216 20 0 GGADMN CCCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476484554 567326942 /nfs/dbraw/zinc/32/69/42/567326942.db2.gz DPYRIBYNTAEXTJ-HOCLYGCPSA-N 0 1 384.307 3.089 20 0 GGADMN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476484557 567327019 /nfs/dbraw/zinc/32/70/19/567327019.db2.gz DPYRIBYNTAEXTJ-ZBFHGGJFSA-N 0 1 384.307 3.089 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)[C@H](C)C1 ZINC000455967948 567327024 /nfs/dbraw/zinc/32/70/24/567327024.db2.gz IVKVLMVGWHLKLI-GHMZBOCLSA-N 0 1 390.709 3.021 20 0 GGADMN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476484548 567327183 /nfs/dbraw/zinc/32/71/83/567327183.db2.gz DPYRIBYNTAEXTJ-GDBMZVCRSA-N 0 1 384.307 3.089 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)CC2(C)C)c2ccc(Br)cc2n1 ZINC000500509374 567327327 /nfs/dbraw/zinc/32/73/27/567327327.db2.gz XBQRPDAGTJZGGH-UHFFFAOYSA-N 0 1 376.298 3.472 20 0 GGADMN Cc1ccc(CNCC(=O)N[C@@H]2CCOc3ccccc32)cc1Br ZINC000500503925 567327939 /nfs/dbraw/zinc/32/79/39/567327939.db2.gz QCAXLGPVBYFTDK-QGZVFWFLSA-N 0 1 389.293 3.487 20 0 GGADMN CCCSc1nc(=NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s[n-]1 ZINC000476488311 567328229 /nfs/dbraw/zinc/32/82/29/567328229.db2.gz UNKHCTVXNLWARP-LLVKDONJSA-N 0 1 397.595 3.092 20 0 GGADMN CCCSc1nc(=NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s[n-]1 ZINC000476488311 567328236 /nfs/dbraw/zinc/32/82/36/567328236.db2.gz UNKHCTVXNLWARP-LLVKDONJSA-N 0 1 397.595 3.092 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000568442146 567328660 /nfs/dbraw/zinc/32/86/60/567328660.db2.gz DIXAZHIRNUJIRB-NSHDSACASA-N 0 1 390.311 3.177 20 0 GGADMN FC(F)C(F)(F)COCCNCc1cc2c(cc1Br)OCO2 ZINC000434789034 567328894 /nfs/dbraw/zinc/32/88/94/567328894.db2.gz LKYRRDOAWCHFKX-UHFFFAOYSA-N 0 1 388.155 3.184 20 0 GGADMN O=C(CNCc1cccc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000500540001 567329012 /nfs/dbraw/zinc/32/90/12/567329012.db2.gz ZDPDOFKMBCBTDF-INIZCTEOSA-N 0 1 375.266 3.179 20 0 GGADMN COC[C@H](NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000434788478 567329332 /nfs/dbraw/zinc/32/93/32/567329332.db2.gz WSSKIFZANSYGNI-KBPBESRZSA-N 0 1 380.794 3.081 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c[nH]c1=O ZINC000527314985 567329595 /nfs/dbraw/zinc/32/95/95/567329595.db2.gz YOQPIOQLBKSAPG-UHFFFAOYSA-N 0 1 395.637 3.451 20 0 GGADMN CC[C@@H](C)N(CC(=O)OC)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000456016204 567331065 /nfs/dbraw/zinc/33/10/65/567331065.db2.gz ASQLVIKBIDXOBR-LLVKDONJSA-N 0 1 394.269 3.253 20 0 GGADMN C[C@@H](c1ccccc1Br)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660860224 567331543 /nfs/dbraw/zinc/33/15/43/567331543.db2.gz DPIKXZKAWSIXRO-AWEZNQCLSA-N 0 1 396.329 3.016 20 0 GGADMN Clc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1I ZINC000592357155 567332384 /nfs/dbraw/zinc/33/23/84/567332384.db2.gz RKVMAQKEMPAORD-JTQLQIEISA-N 0 1 375.597 3.419 20 0 GGADMN Cc1cc(C)c(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)cc1I ZINC000476522702 567332657 /nfs/dbraw/zinc/33/26/57/567332657.db2.gz RRVXPXLPTFEREC-CHWSQXEVSA-N 0 1 386.277 3.073 20 0 GGADMN Fc1cc(I)c(-c2nc([C@@H]3CCCN3)no2)cc1F ZINC000592356919 567332788 /nfs/dbraw/zinc/33/27/88/567332788.db2.gz KZNMMQMVPYLSBS-JTQLQIEISA-N 0 1 377.132 3.044 20 0 GGADMN CCO[C@@H]1COCC[C@H]1NCc1cc(Cl)ccc1I ZINC000593025172 567379931 /nfs/dbraw/zinc/37/99/31/567379931.db2.gz MMLAQZWERPJHAB-ZIAGYGMSSA-N 0 1 395.668 3.228 20 0 GGADMN CN(C)c1cccnc1CNCCC(=O)Nc1ccc(Br)cc1 ZINC000568503439 567333022 /nfs/dbraw/zinc/33/30/22/567333022.db2.gz YCXRPRAMYWITSF-UHFFFAOYSA-N 0 1 377.286 3.029 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1I ZINC000476560350 567334531 /nfs/dbraw/zinc/33/45/31/567334531.db2.gz GREGAQXBJMNGSX-OLZOCXBDSA-N 0 1 386.277 3.073 20 0 GGADMN C[C@@H]1CC2(CN1CC(=O)c1c[nH]c3ncc(Br)cc13)CCOCC2 ZINC000660904605 567334612 /nfs/dbraw/zinc/33/46/12/567334612.db2.gz NZWJNAHTAKOGFB-GFCCVEGCSA-N 0 1 392.297 3.399 20 0 GGADMN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1ccc(Br)s1 ZINC000476563514 567335132 /nfs/dbraw/zinc/33/51/32/567335132.db2.gz DXNBDWJXAPPVLZ-NSHDSACASA-N 0 1 381.361 3.053 20 0 GGADMN Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1Cl ZINC000660959243 567337543 /nfs/dbraw/zinc/33/75/43/567337543.db2.gz LJZDYKVMWOULND-WBVHZDCISA-N 0 1 383.279 3.094 20 0 GGADMN O=C(NCCc1ccc2c(c1)OCO2)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000548631188 567338728 /nfs/dbraw/zinc/33/87/28/567338728.db2.gz UYJUCHSMFLUGPG-UHFFFAOYSA-N 0 1 375.837 3.493 20 0 GGADMN Cc1[nH]ncc1CNC(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000548630167 567338812 /nfs/dbraw/zinc/33/88/12/567338812.db2.gz OGXPGKOCVYWSPO-UHFFFAOYSA-N 0 1 375.885 3.274 20 0 GGADMN CN(C[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1)S(C)(=O)=O ZINC000568564852 567339118 /nfs/dbraw/zinc/33/91/18/567339118.db2.gz DJFOQKNLURUPCH-CQSZACIVSA-N 0 1 376.925 3.015 20 0 GGADMN C[C@H](NC(=O)c1cccc(Br)c1O)c1ccc(S(C)(=O)=O)cc1 ZINC000592451350 567339227 /nfs/dbraw/zinc/33/92/27/567339227.db2.gz MSOFFZOMIUMNIZ-JTQLQIEISA-N 0 1 398.278 3.049 20 0 GGADMN O[C@@H]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@H]2CCCC[C@@H]12 ZINC000640091299 567340491 /nfs/dbraw/zinc/34/04/91/567340491.db2.gz MIUIBRXHRQOQKX-GRYCIOLGSA-N 0 1 382.258 3.218 20 0 GGADMN Cc1cc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000476645020 567342596 /nfs/dbraw/zinc/34/25/96/567342596.db2.gz 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ZINC000527717244 567368393 /nfs/dbraw/zinc/36/83/93/567368393.db2.gz ULWHPOJTPVFBHR-OAHLLOKOSA-N 0 1 378.885 3.029 20 0 GGADMN Cc1c[nH]cc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456379980 567368438 /nfs/dbraw/zinc/36/84/38/567368438.db2.gz VWZBHYTYFAPHEP-CYBMUJFWSA-N 0 1 391.313 3.478 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccncc1 ZINC000456375556 567368487 /nfs/dbraw/zinc/36/84/87/567368487.db2.gz RGCJOHKIOPUBMA-CYBMUJFWSA-N 0 1 389.297 3.237 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccc[nH]1 ZINC000456381969 567368659 /nfs/dbraw/zinc/36/86/59/567368659.db2.gz XHCLRARAXKHSRT-GFCCVEGCSA-N 0 1 377.286 3.170 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccncc1 ZINC000456375557 567368880 /nfs/dbraw/zinc/36/88/80/567368880.db2.gz RGCJOHKIOPUBMA-ZDUSSCGKSA-N 0 1 389.297 3.237 20 0 GGADMN Cn1cc(-c2nc(CNC[C@H](O)c3ccccc3Br)cs2)cn1 ZINC000527718458 567369122 /nfs/dbraw/zinc/36/91/22/567369122.db2.gz ZDWYIZVWTWTPKD-HNNXBMFYSA-N 0 1 393.310 3.129 20 0 GGADMN O=S(=O)(NCc1cccnc1OCC(F)F)c1c(Cl)ccc(F)c1F ZINC000568969842 567369168 /nfs/dbraw/zinc/36/91/68/567369168.db2.gz YWBFAHGDTALEQA-UHFFFAOYSA-N 0 1 398.765 3.136 20 0 GGADMN COc1ccc(CNC(=O)c2cccc(Br)c2O)cc1NC(C)=O ZINC000592862563 567369754 /nfs/dbraw/zinc/36/97/54/567369754.db2.gz MEJWQRBVNLMTQU-UHFFFAOYSA-N 0 1 393.237 3.052 20 0 GGADMN Cc1ccsc1CN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000501144847 567370039 /nfs/dbraw/zinc/37/00/39/567370039.db2.gz SFAKTTWBCDZFAG-QGZVFWFLSA-N 0 1 376.547 3.413 20 0 GGADMN CCn1nncc1CNCc1cc(Br)c(C)c(Br)c1 ZINC000527730851 567370714 /nfs/dbraw/zinc/37/07/14/567370714.db2.gz VNJIZTAAHNDVOS-UHFFFAOYSA-N 0 1 388.107 3.421 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000477108546 567371080 /nfs/dbraw/zinc/37/10/80/567371080.db2.gz QSWLERHLOCDKRQ-PWSUYJOCSA-N 0 1 379.302 3.477 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1N1CCCC1 ZINC000477117736 567372113 /nfs/dbraw/zinc/37/21/13/567372113.db2.gz JMNFSUBFULXLRT-QWHCGFSZSA-N 0 1 395.377 3.194 20 0 GGADMN C[C@H](NCCc1ccnn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000549065001 567372263 /nfs/dbraw/zinc/37/22/63/567372263.db2.gz CZNQYBUIKUUMSR-NSHDSACASA-N 0 1 376.258 3.126 20 0 GGADMN O=C(NCc1c(Cl)cccc1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000549065925 567372667 /nfs/dbraw/zinc/37/26/67/567372667.db2.gz ZCZNQLAHWUJIPH-CQSZACIVSA-N 0 1 386.323 3.247 20 0 GGADMN CC(C)N(CCOCCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000549077450 567372814 /nfs/dbraw/zinc/37/28/14/567372814.db2.gz KDTZHLZHGSMYQH-UHFFFAOYSA-N 0 1 383.286 3.323 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)C(F)(F)F ZINC000501237689 567373593 /nfs/dbraw/zinc/37/35/93/567373593.db2.gz HVIUCPQXOYLWJA-JTQLQIEISA-N 0 1 394.235 3.338 20 0 GGADMN C[C@@H](CO)[C@H]1CCCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000661436605 567373729 /nfs/dbraw/zinc/37/37/29/567373729.db2.gz VKGCMABMMYCGJB-SMDDNHRTSA-N 0 1 376.831 3.363 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@@H]1N1CCCC1 ZINC000477135047 567373993 /nfs/dbraw/zinc/37/39/93/567373993.db2.gz IWTXAKKHSLCYEI-OALUTQOASA-N 0 1 376.547 3.040 20 0 GGADMN CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)C)CC1 ZINC000549105253 567373907 /nfs/dbraw/zinc/37/39/07/567373907.db2.gz BBLLKWOHAWHKEX-UHFFFAOYSA-N 0 1 384.347 3.319 20 0 GGADMN C[C@H](CO)[C@@H]1CCCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000661436604 567374470 /nfs/dbraw/zinc/37/44/70/567374470.db2.gz VKGCMABMMYCGJB-RISCZKNCSA-N 0 1 376.831 3.363 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1N1CCCC1 ZINC000477142861 567375430 /nfs/dbraw/zinc/37/54/30/567375430.db2.gz ONGCMSZVNBQTPS-ZIAGYGMSSA-N 0 1 395.377 3.194 20 0 GGADMN C[C@@H](NCc1ccc(Br)o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569052119 567375621 /nfs/dbraw/zinc/37/56/21/567375621.db2.gz FONWXOQQTFNCOJ-RHSMWYFYSA-N 0 1 379.298 3.421 20 0 GGADMN O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(Br)c1O ZINC000569076374 567378526 /nfs/dbraw/zinc/37/85/26/567378526.db2.gz TVBABPLMHWVACM-DOMZBBRYSA-N 0 1 377.238 3.200 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(Br)o1 ZINC000435631663 567380964 /nfs/dbraw/zinc/38/09/64/567380964.db2.gz GIVIEXPNBQQKPZ-CYBMUJFWSA-N 0 1 391.331 3.118 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(Br)o1 ZINC000435631663 567380969 /nfs/dbraw/zinc/38/09/69/567380969.db2.gz GIVIEXPNBQQKPZ-CYBMUJFWSA-N 0 1 391.331 3.118 20 0 GGADMN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc(F)c(Br)cc1F ZINC000527884583 567381128 /nfs/dbraw/zinc/38/11/28/567381128.db2.gz RIMJXTMVVZBOAM-GHMZBOCLSA-N 0 1 392.240 3.300 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc(F)c(Br)cc1F ZINC000527889653 567381337 /nfs/dbraw/zinc/38/13/37/567381337.db2.gz AGWNNCCJBQFEIH-HPEXNQPKSA-N 0 1 394.256 3.198 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3ncc(-c4ccccc4Br)o3)CC[C@@H]2N1 ZINC000661601723 567381753 /nfs/dbraw/zinc/38/17/53/567381753.db2.gz RNNVSEYDODSQSG-DOMZBBRYSA-N 0 1 390.281 3.205 20 0 GGADMN Cc1c(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cnn1CC(C)C ZINC000501342884 567381819 /nfs/dbraw/zinc/38/18/19/567381819.db2.gz JHKZEUSHWNAPLI-UHFFFAOYSA-N 0 1 384.889 3.125 20 0 GGADMN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc(F)c(Br)cc1F ZINC000527884594 567382127 /nfs/dbraw/zinc/38/21/27/567382127.db2.gz RIMJXTMVVZBOAM-WDEREUQCSA-N 0 1 392.240 3.300 20 0 GGADMN O=c1[nH]nc(SCc2cscc2Br)n1C[C@H]1CCCO1 ZINC000569141391 567382685 /nfs/dbraw/zinc/38/26/85/567382685.db2.gz YWCUZRXFOPMDNE-SECBINFHSA-N 0 1 376.301 3.279 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3coc(-c4ccc(Br)cc4)n3)CC[C@@H]2N1 ZINC000661600760 567382666 /nfs/dbraw/zinc/38/26/66/567382666.db2.gz ODMRNEPQFFDUGW-CJNGLKHVSA-N 0 1 390.281 3.205 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000569156037 567382795 /nfs/dbraw/zinc/38/27/95/567382795.db2.gz PGDMJXGITXLKFE-AWEZNQCLSA-N 0 1 397.313 3.101 20 0 GGADMN Cn1c(=O)[nH]nc1SCc1ccc(I)c(Cl)c1 ZINC000435672166 567383375 /nfs/dbraw/zinc/38/33/75/567383375.db2.gz NJOUSQVSBLWBNM-UHFFFAOYSA-N 0 1 381.626 3.071 20 0 GGADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)CN(C)[C@H]1CCSC1 ZINC000501362949 567383663 /nfs/dbraw/zinc/38/36/63/567383663.db2.gz ZKXLPQGVRPWLGG-WBMJQRKESA-N 0 1 383.355 3.160 20 0 GGADMN COc1ccc(CNC(=O)Nc2cc(CN(C)C)ccn2)cc1Br ZINC000640558833 567384130 /nfs/dbraw/zinc/38/41/30/567384130.db2.gz FUBDKSALBQKPFI-UHFFFAOYSA-N 0 1 393.285 3.236 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CSc2ccc(Br)cc2C)n[nH]1 ZINC000477267603 567384630 /nfs/dbraw/zinc/38/46/30/567384630.db2.gz VDEOGACUQPWXNQ-SNVBAGLBSA-N 0 1 383.315 3.408 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000640573254 567385354 /nfs/dbraw/zinc/38/53/54/567385354.db2.gz OZEHTSRIRRQJDX-UHFFFAOYSA-N 0 1 389.297 3.496 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CCSc2ccccc2Br)n[nH]1 ZINC000477291160 567387288 /nfs/dbraw/zinc/38/72/88/567387288.db2.gz FVVWORINAMRPLE-JTQLQIEISA-N 0 1 383.315 3.489 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC1=CCCOC1 ZINC000661657751 567387381 /nfs/dbraw/zinc/38/73/81/567387381.db2.gz VJFLTKMHMKGVNY-AWEZNQCLSA-N 0 1 381.314 3.075 20 0 GGADMN COc1ccccc1CCNC(=O)CNCc1ccc(F)c(Br)c1 ZINC000435741211 567387457 /nfs/dbraw/zinc/38/74/57/567387457.db2.gz NZMRWZOXVNTXPW-UHFFFAOYSA-N 0 1 395.272 3.045 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(Br)cc(OC(C)C)c2)n[nH]1 ZINC000477322440 567387856 /nfs/dbraw/zinc/38/78/56/567387856.db2.gz NFVLHKUQLUIAEY-JTQLQIEISA-N 0 1 381.274 3.408 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000456525501 567387852 /nfs/dbraw/zinc/38/78/52/567387852.db2.gz HEQHQCZHGXLAKF-AWEZNQCLSA-N 0 1 391.313 3.191 20 0 GGADMN COC(=O)[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)C[C@H]1C1CC1 ZINC000593130163 567388017 /nfs/dbraw/zinc/38/80/17/567388017.db2.gz HJDFLJMGEZTQFI-QWHCGFSZSA-N 0 1 379.254 3.221 20 0 GGADMN O=C(c1cc(C(F)F)[nH]n1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000640703999 567388333 /nfs/dbraw/zinc/38/83/33/567388333.db2.gz DAFKOKDKIVHUMR-ZDUSSCGKSA-N 0 1 386.196 3.324 20 0 GGADMN O=C(c1cc(C(F)F)[nH]n1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000640704305 567388426 /nfs/dbraw/zinc/38/84/26/567388426.db2.gz DRDSVYPCFJLKEZ-UHFFFAOYSA-N 0 1 385.212 3.072 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(I)cc(C)c2C)n[nH]1 ZINC000477308925 567388475 /nfs/dbraw/zinc/38/84/75/567388475.db2.gz OMPYKDBUMHWUMJ-JTQLQIEISA-N 0 1 398.248 3.080 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000456527742 567388607 /nfs/dbraw/zinc/38/86/07/567388607.db2.gz UMUFQGYDKKVJHQ-LBPRGKRZSA-N 0 1 385.302 3.023 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C2=Cc3cc(Br)ccc3OC2)n[nH]1 ZINC000477322993 567388732 /nfs/dbraw/zinc/38/87/32/567388732.db2.gz ONFBTSXDUCJDTQ-SNVBAGLBSA-N 0 1 391.269 3.344 20 0 GGADMN COC(=O)[C@@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC000593130337 567388745 /nfs/dbraw/zinc/38/87/45/567388745.db2.gz WOCZZTDZBSLYTK-LCHIKPRUSA-N 0 1 390.332 3.232 20 0 GGADMN CC(C)[C@H](CNCc1c(F)ccc(Br)c1F)N1CCOCC1 ZINC000501423715 567388879 /nfs/dbraw/zinc/38/88/79/567388879.db2.gz OFKBHRIMGDHAGD-HNNXBMFYSA-N 0 1 377.273 3.174 20 0 GGADMN COC(=O)[C@@H]1CN(Cc2nc3ccc(Br)cc3o2)C[C@H]1C1CC1 ZINC000593131692 567388950 /nfs/dbraw/zinc/38/89/50/567388950.db2.gz SLPGHDVBKONRJF-QWHCGFSZSA-N 0 1 379.254 3.221 20 0 GGADMN CN(C)C(=O)C1(CNCc2c(F)ccc(Br)c2F)CCCC1 ZINC000501446789 567389305 /nfs/dbraw/zinc/38/93/05/567389305.db2.gz URTVNXCDPDSWRW-UHFFFAOYSA-N 0 1 375.257 3.466 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)n[nH]1 ZINC000477340271 567389365 /nfs/dbraw/zinc/38/93/65/567389365.db2.gz QGRULAZCBIOHMZ-SECBINFHSA-N 0 1 379.251 3.351 20 0 GGADMN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc2cncn2c1 ZINC000569244179 567389972 /nfs/dbraw/zinc/38/99/72/567389972.db2.gz TYDCCEXXZGKMLW-CQSZACIVSA-N 0 1 399.292 3.353 20 0 GGADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000549389187 567389923 /nfs/dbraw/zinc/38/99/23/567389923.db2.gz WBXCSRKBHSLNRK-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN O=C(Nc1ccccc1Br)N1CCC[C@H](N2CCOCC2)CC1 ZINC000569255604 567390670 /nfs/dbraw/zinc/39/06/70/567390670.db2.gz AQUQAXSXQCLXNH-AWEZNQCLSA-N 0 1 382.302 3.168 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000456564418 567390694 /nfs/dbraw/zinc/39/06/94/567390694.db2.gz XDRAVFJRXVNHGW-LBPRGKRZSA-N 0 1 385.302 3.023 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000456564413 567391171 /nfs/dbraw/zinc/39/11/71/567391171.db2.gz XDRAVFJRXVNHGW-GFCCVEGCSA-N 0 1 385.302 3.023 20 0 GGADMN CN1CCN(c2ccc(NCc3c(F)ccc(Br)c3F)nc2)CC1 ZINC000501468721 567391250 /nfs/dbraw/zinc/39/12/50/567391250.db2.gz RYOSEGIYAQLLGN-UHFFFAOYSA-N 0 1 397.267 3.486 20 0 GGADMN C[C@H](CO)N(CC1CCC1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000435841437 567391148 /nfs/dbraw/zinc/39/11/48/567391148.db2.gz AQTINSUUGJIPHJ-GFCCVEGCSA-N 0 1 392.297 3.462 20 0 GGADMN C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)CCN1CC(C)(C)O ZINC000435863267 567392093 /nfs/dbraw/zinc/39/20/93/567392093.db2.gz VLQPGMVBLDNPIE-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN CN1CCCC[C@H]1C(=O)NCc1ccc(Cl)cc1I ZINC000618475630 567392189 /nfs/dbraw/zinc/39/21/89/567392189.db2.gz AEJDZHWVORNCGA-ZDUSSCGKSA-N 0 1 392.668 3.045 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000456567038 567392404 /nfs/dbraw/zinc/39/24/04/567392404.db2.gz ZDDLRRVQYYUKST-AWEZNQCLSA-N 0 1 383.330 3.333 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1cccc(Cl)c1Cl ZINC000435865383 567392389 /nfs/dbraw/zinc/39/23/89/567392389.db2.gz PJIBGFDLJVYMKL-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000640750666 567392918 /nfs/dbraw/zinc/39/29/18/567392918.db2.gz NLFWZSFKWCZCPB-SNVBAGLBSA-N 0 1 394.205 3.166 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000435866475 567393000 /nfs/dbraw/zinc/39/30/00/567393000.db2.gz VUHRWESRZCGYIF-CYBMUJFWSA-N 0 1 388.339 3.023 20 0 GGADMN O=C(NCCN1CCC(O)CC1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000456577397 567393358 /nfs/dbraw/zinc/39/33/58/567393358.db2.gz CMTQJYYPQMWDFG-UHFFFAOYSA-N 0 1 382.291 3.175 20 0 GGADMN CNC(C)(C)c1cn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000640762302 567393750 /nfs/dbraw/zinc/39/37/50/567393750.db2.gz OXXGGPOVIUKJAK-UHFFFAOYSA-N 0 1 375.782 3.044 20 0 GGADMN O=C(CCc1ccc(Cl)cc1Cl)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000618487447 567394311 /nfs/dbraw/zinc/39/43/11/567394311.db2.gz CTQZJUHUJPTMPL-MRXNPFEDSA-N 0 1 376.247 3.345 20 0 GGADMN O=C(CCc1ccc(Cl)cc1Cl)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000618487446 567394548 /nfs/dbraw/zinc/39/45/48/567394548.db2.gz CTQZJUHUJPTMPL-INIZCTEOSA-N 0 1 376.247 3.345 20 0 GGADMN CC(C)N1CCO[C@H](C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000456587302 567394761 /nfs/dbraw/zinc/39/47/61/567394761.db2.gz NVFVDFKUSDVXRD-HNNXBMFYSA-N 0 1 378.270 3.045 20 0 GGADMN CN(Cc1ccc(I)c(Cl)c1)C1(C(N)=O)CCCC1 ZINC000436085989 567405455 /nfs/dbraw/zinc/40/54/55/567405455.db2.gz AXIGWFRCIHCBSR-UHFFFAOYSA-N 0 1 392.668 3.175 20 0 GGADMN CSc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000501544477 567395743 /nfs/dbraw/zinc/39/57/43/567395743.db2.gz DKAVPRAYVCKUCD-CYBMUJFWSA-N 0 1 378.519 3.101 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000618535028 567396673 /nfs/dbraw/zinc/39/66/73/567396673.db2.gz SNQJAWHXEYSKRL-QHCPKHFHSA-N 0 1 395.322 3.227 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000477476446 567396658 /nfs/dbraw/zinc/39/66/58/567396658.db2.gz FGRYYXUNQOSLHR-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN CCNCc1cn([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640822075 567396863 /nfs/dbraw/zinc/39/68/63/567396863.db2.gz YDRHSULOHNDJBA-SECBINFHSA-N 0 1 375.782 3.260 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000501558214 567397218 /nfs/dbraw/zinc/39/72/18/567397218.db2.gz SRSAXQVYNKHKRK-BFVZDQMLSA-N 0 1 396.289 3.012 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)[nH]1 ZINC000435964596 567397906 /nfs/dbraw/zinc/39/79/06/567397906.db2.gz HMEQBTJNCMGTIY-CYBMUJFWSA-N 0 1 399.289 3.471 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)n1 ZINC000435964596 567397916 /nfs/dbraw/zinc/39/79/16/567397916.db2.gz HMEQBTJNCMGTIY-CYBMUJFWSA-N 0 1 399.289 3.471 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000569346067 567397821 /nfs/dbraw/zinc/39/78/21/567397821.db2.gz GRJUUQCFYSJAQX-LLVKDONJSA-N 0 1 388.682 3.058 20 0 GGADMN CNC(C)(C)c1cn([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nn1 ZINC000640839482 567398839 /nfs/dbraw/zinc/39/88/39/567398839.db2.gz VYGGOJIKXYJEMW-MNOVXSKESA-N 0 1 384.311 3.478 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000593215930 567399366 /nfs/dbraw/zinc/39/93/66/567399366.db2.gz QUZVJBLEHFCVNQ-JEBQAFNWSA-N 0 1 385.335 3.230 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2SC)c1 ZINC000436009568 567400594 /nfs/dbraw/zinc/40/05/94/567400594.db2.gz VNJIAMHPRJQSHF-GFCCVEGCSA-N 0 1 380.491 3.183 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1ccccc1SCCC(N)=O ZINC000436001120 567400622 /nfs/dbraw/zinc/40/06/22/567400622.db2.gz FDVMLJZOSNKETC-UHFFFAOYSA-N 0 1 382.532 3.177 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3cc(C)cc(Br)c3)cc12 ZINC000436018560 567400737 /nfs/dbraw/zinc/40/07/37/567400737.db2.gz DSMWYBPPJBOVRY-UHFFFAOYSA-N 0 1 382.239 3.403 20 0 GGADMN CN1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C(C)(C)C1 ZINC000501633781 567400858 /nfs/dbraw/zinc/40/08/58/567400858.db2.gz ZFLMIRJOTUPBIC-UHFFFAOYSA-N 0 1 378.826 3.108 20 0 GGADMN COCCN1CCCN(C(=O)c2c(Br)ccc3ccccc32)CC1 ZINC000528196867 567400771 /nfs/dbraw/zinc/40/07/71/567400771.db2.gz NCUKROFPFQSANI-UHFFFAOYSA-N 0 1 391.309 3.397 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2SC)c1 ZINC000436009569 567401078 /nfs/dbraw/zinc/40/10/78/567401078.db2.gz VNJIAMHPRJQSHF-LBPRGKRZSA-N 0 1 380.491 3.183 20 0 GGADMN O=S(=O)(Nc1ccc(OCCO)cc1)c1ccc(C(F)(F)F)cc1F ZINC000436005747 567401338 /nfs/dbraw/zinc/40/13/38/567401338.db2.gz HJHPKYCMOWCQJL-UHFFFAOYSA-N 0 1 379.331 3.016 20 0 GGADMN CCOC[C@H]1CN(c2ccnc3cc(OC)c(Br)cc32)CCO1 ZINC000528189433 567401437 /nfs/dbraw/zinc/40/14/37/567401437.db2.gz GJJCEHFUDBJJTL-GFCCVEGCSA-N 0 1 381.270 3.248 20 0 GGADMN O=C(NCCN1CCC1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000569418636 567402427 /nfs/dbraw/zinc/40/24/27/567402427.db2.gz NOWSVJPQNKEMEY-MRXNPFEDSA-N 0 1 391.313 3.313 20 0 GGADMN CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CCc1cccs1 ZINC000477571393 567402868 /nfs/dbraw/zinc/40/28/68/567402868.db2.gz RRZAFVKDUHXJHG-SFHVURJKSA-N 0 1 378.563 3.217 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CCOc2ccc(C)cc2Br)n[nH]1 ZINC000477569889 567402940 /nfs/dbraw/zinc/40/29/40/567402940.db2.gz OSQIWOSCFWMSCH-NSHDSACASA-N 0 1 381.274 3.084 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)C2)n1 ZINC000569434597 567403796 /nfs/dbraw/zinc/40/37/96/567403796.db2.gz DSZMIQXOIGPUEB-CMPLNLGQSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1nnc([C@@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000569434597 567403800 /nfs/dbraw/zinc/40/38/00/567403800.db2.gz DSZMIQXOIGPUEB-CMPLNLGQSA-N 0 1 382.295 3.087 20 0 GGADMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2I)C[C@@H]1C(=O)[O-] ZINC000593288884 567403777 /nfs/dbraw/zinc/40/37/77/567403777.db2.gz QIFOQGZOSVRAPY-CABZTGNLSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2I)C[C@@H]1C(=O)[O-] ZINC000593288884 567403781 /nfs/dbraw/zinc/40/37/81/567403781.db2.gz QIFOQGZOSVRAPY-CABZTGNLSA-N 0 1 393.652 3.487 20 0 GGADMN CNC(C)(C)c1cn(Cc2csc(COc3ccc(Cl)cc3)n2)nn1 ZINC000640959756 567404299 /nfs/dbraw/zinc/40/42/99/567404299.db2.gz GUNFHFGGRVRIJU-UHFFFAOYSA-N 0 1 377.901 3.470 20 0 GGADMN CC(=O)c1ccc(OC[C@H](O)CNCc2cccc(C)c2Br)cc1 ZINC000569449398 567405606 /nfs/dbraw/zinc/40/56/06/567405606.db2.gz LIFKUFULLNNNPG-QGZVFWFLSA-N 0 1 392.293 3.490 20 0 GGADMN O=C1CCCN1C[C@@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000662052664 567406508 /nfs/dbraw/zinc/40/65/08/567406508.db2.gz COZDUJDCBQQNFS-GFCCVEGCSA-N 0 1 378.270 3.035 20 0 GGADMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(I)c(Cl)c1 ZINC000436098937 567406778 /nfs/dbraw/zinc/40/67/78/567406778.db2.gz KFQNSLNJNABILU-HUTHGQBESA-N 0 1 385.698 3.143 20 0 GGADMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(I)c(Cl)c1 ZINC000436117076 567406901 /nfs/dbraw/zinc/40/69/01/567406901.db2.gz WPAONDVVHCUBNH-GFCCVEGCSA-N 0 1 397.684 3.162 20 0 GGADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000528273648 567407243 /nfs/dbraw/zinc/40/72/43/567407243.db2.gz BCEKORHZAMJCCD-COMAGPEQSA-N 0 1 379.258 3.232 20 0 GGADMN NC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2F)c(Cl)cc1Cl ZINC000549722600 567407275 /nfs/dbraw/zinc/40/72/75/567407275.db2.gz WFFLWRVVQHHDER-UHFFFAOYSA-N 0 1 381.187 3.171 20 0 GGADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000528273657 567407342 /nfs/dbraw/zinc/40/73/42/567407342.db2.gz BCEKORHZAMJCCD-XHSYRHOGSA-N 0 1 379.258 3.232 20 0 GGADMN CC(C)C(=O)NCCN(C)Cc1ccc(I)c(Cl)c1 ZINC000436132836 567407472 /nfs/dbraw/zinc/40/74/72/567407472.db2.gz WKNUIYPVUYMHIA-UHFFFAOYSA-N 0 1 394.684 3.149 20 0 GGADMN CSCc1cnc(CNC2CCC(C(=O)N3CCSCC3)CC2)s1 ZINC000549734416 567407715 /nfs/dbraw/zinc/40/77/15/567407715.db2.gz ZCNOHEQSVNFPKG-UHFFFAOYSA-N 0 1 385.624 3.230 20 0 GGADMN COCCN(Cc1cc(Br)cs1)Cc1ccc(C(N)=O)cc1 ZINC000549733674 567407850 /nfs/dbraw/zinc/40/78/50/567407850.db2.gz MBYFCNLBXXUGAK-UHFFFAOYSA-N 0 1 383.311 3.258 20 0 GGADMN COCCCn1c(=O)[nH]nc1S[C@H](Cc1cccc(Cl)c1F)C(C)=O ZINC000436132071 567408383 /nfs/dbraw/zinc/40/83/83/567408383.db2.gz MKTVXHBXPJCOJX-CYBMUJFWSA-N 0 1 387.864 3.105 20 0 GGADMN OC[C@@H](NC[C@H](O)COCc1ccccc1F)c1cccc(Cl)c1Cl ZINC000662053807 567408432 /nfs/dbraw/zinc/40/84/32/567408432.db2.gz BGTVJPIJFYFMDO-SUMWQHHRSA-N 0 1 388.266 3.333 20 0 GGADMN Cc1cc(CC(=O)N[C@H](C)CCc2ccc(I)cc2)[nH]n1 ZINC000477681670 567408732 /nfs/dbraw/zinc/40/87/32/567408732.db2.gz VJYSWAAPVKEOMJ-LLVKDONJSA-N 0 1 397.260 3.003 20 0 GGADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000569521894 567410989 /nfs/dbraw/zinc/41/09/89/567410989.db2.gz CAIJJDPJGBIFAV-UHFFFAOYSA-N 0 1 388.269 3.095 20 0 GGADMN COCCO[C@@H]1CCCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000549808793 567412168 /nfs/dbraw/zinc/41/21/68/567412168.db2.gz CFYCIICQMQVYKY-QGZVFWFLSA-N 0 1 382.298 3.352 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c1 ZINC000436178544 567412297 /nfs/dbraw/zinc/41/22/97/567412297.db2.gz VPKGBBUAZYUJPP-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN CSCc1cnc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)s1 ZINC000549817451 567413637 /nfs/dbraw/zinc/41/36/37/567413637.db2.gz DBPBYOSESFTBHH-NSHDSACASA-N 0 1 376.469 3.364 20 0 GGADMN CCNCc1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641117460 567413815 /nfs/dbraw/zinc/41/38/15/567413815.db2.gz VBQJBGMKEZZGJP-UHFFFAOYSA-N 0 1 393.207 3.140 20 0 GGADMN CC1(C)C[C@H](N=c2nc[nH]c3cc(I)sc32)CCO1 ZINC000593464871 567415159 /nfs/dbraw/zinc/41/51/59/567415159.db2.gz ICZFJIKBMAZEIR-MRVPVSSYSA-N 0 1 389.262 3.087 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2sc(Br)cc2C1 ZINC000618792236 567415091 /nfs/dbraw/zinc/41/50/91/567415091.db2.gz DWMGULFMSLKQEE-UHFFFAOYSA-N 0 1 380.189 3.451 20 0 GGADMN FC1(F)CC[C@H](N=c2nc[nH]c3cc(I)sc32)C1 ZINC000593466351 567415528 /nfs/dbraw/zinc/41/55/28/567415528.db2.gz ZLAPANMVPCBRPT-LURJTMIESA-N 0 1 381.189 3.318 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CCN1 ZINC000569574006 567415600 /nfs/dbraw/zinc/41/56/00/567415600.db2.gz IMPXLMUFJPIFIL-JTQLQIEISA-N 0 1 382.251 3.401 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662199461 567416046 /nfs/dbraw/zinc/41/60/46/567416046.db2.gz XDBBWCPHQYXVOC-SNVBAGLBSA-N 0 1 382.176 3.297 20 0 GGADMN O=S(=O)(NCCNCc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 ZINC000436238749 567416368 /nfs/dbraw/zinc/41/63/68/567416368.db2.gz GUEXXVWDEQELKA-UHFFFAOYSA-N 0 1 392.830 3.427 20 0 GGADMN C[C@H]1CC(N=c2nc[nH]c3cc(I)sc32)C[C@H](C)O1 ZINC000593471091 567417014 /nfs/dbraw/zinc/41/70/14/567417014.db2.gz XUUZPKIEWPCRIR-YUMQZZPRSA-N 0 1 389.262 3.086 20 0 GGADMN C[C@@H]1[C@H](C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@H]1C1CC1 ZINC000528368300 567417002 /nfs/dbraw/zinc/41/70/02/567417002.db2.gz WOXFQFITDFHEPU-AMFBXLIHSA-N 0 1 375.270 3.143 20 0 GGADMN C[C@@H]1[C@H](C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]1C1CC1 ZINC000528368300 567417008 /nfs/dbraw/zinc/41/70/08/567417008.db2.gz WOXFQFITDFHEPU-AMFBXLIHSA-N 0 1 375.270 3.143 20 0 GGADMN N[C@H](c1cn(CCOCC(F)(F)C(F)(F)F)nn1)c1ccc(Cl)cc1 ZINC000641148621 567417150 /nfs/dbraw/zinc/41/71/50/567417150.db2.gz JEPDIJFCQNZKQX-LBPRGKRZSA-N 0 1 384.736 3.194 20 0 GGADMN Cn1nccc1[C@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000502065720 567417367 /nfs/dbraw/zinc/41/73/67/567417367.db2.gz FOBZDLASXAKUHP-LBPRGKRZSA-N 0 1 378.270 3.291 20 0 GGADMN C[C@H](NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)c1ccc(Br)cc1 ZINC000662225528 567417568 /nfs/dbraw/zinc/41/75/68/567417568.db2.gz ANOBYUVKMZLSOQ-LBPRGKRZSA-N 0 1 385.302 3.059 20 0 GGADMN C[C@H](NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccc(Br)cc1 ZINC000662225528 567417570 /nfs/dbraw/zinc/41/75/70/567417570.db2.gz ANOBYUVKMZLSOQ-LBPRGKRZSA-N 0 1 385.302 3.059 20 0 GGADMN CC(C)(C)C[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000662228489 567418969 /nfs/dbraw/zinc/41/89/69/567418969.db2.gz GEMJMDCWBINJSD-UHFFFAOYSA-N 0 1 382.309 3.200 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1cc(Cl)sc1Cl ZINC000436334081 567419255 /nfs/dbraw/zinc/41/92/55/567419255.db2.gz RQPOKHOAOYDUAE-SNVBAGLBSA-N 0 1 380.341 3.042 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)ccc1Br ZINC000569633531 567419407 /nfs/dbraw/zinc/41/94/07/567419407.db2.gz FTBAAMVDMGWAAR-UHFFFAOYSA-N 0 1 382.239 3.140 20 0 GGADMN CCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1ncc(C(=O)OC)s1 ZINC000593491718 567419677 /nfs/dbraw/zinc/41/96/77/567419677.db2.gz NAFBNNAYGCWJJM-UWVGGRQHSA-N 0 1 380.388 3.030 20 0 GGADMN O=C(NCCc1ccc2n[nH]cc2c1)c1n[nH]c2ccc(Br)cc21 ZINC000569635948 567419570 /nfs/dbraw/zinc/41/95/70/567419570.db2.gz LPIKXMUNBXNCLS-UHFFFAOYSA-N 0 1 384.237 3.174 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000436359916 567419890 /nfs/dbraw/zinc/41/98/90/567419890.db2.gz FIALGUPPXGRZCZ-JTQLQIEISA-N 0 1 378.263 3.478 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Br)cn1 ZINC000569640488 567420037 /nfs/dbraw/zinc/42/00/37/567420037.db2.gz VHVOYEYLIKCLNX-KGLIPLIRSA-N 0 1 391.313 3.315 20 0 GGADMN Cc1noc(C2CCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000618878189 567420977 /nfs/dbraw/zinc/42/09/77/567420977.db2.gz MUZCTQJNJIZLEV-ZDUSSCGKSA-N 0 1 386.279 3.304 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000456876160 567422128 /nfs/dbraw/zinc/42/21/28/567422128.db2.gz ASZBDXGKHQHERG-UHFFFAOYSA-N 0 1 383.989 3.106 20 0 GGADMN NS(=O)(=O)c1cc(Cl)cc(CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000550007625 567423166 /nfs/dbraw/zinc/42/31/66/567423166.db2.gz UIEVXKYSYJSCIN-UHFFFAOYSA-N 0 1 398.872 3.204 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000549990799 567423315 /nfs/dbraw/zinc/42/33/15/567423315.db2.gz RJJUXTYLHAABPU-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2c(Br)ccc3ccccc32)C1 ZINC000528448147 567423789 /nfs/dbraw/zinc/42/37/89/567423789.db2.gz XABSHCWMNLQZAV-OAHLLOKOSA-N 0 1 391.309 3.443 20 0 GGADMN Cc1c(Br)cccc1CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477904666 567425975 /nfs/dbraw/zinc/42/59/75/567425975.db2.gz ITAIETWACBSVLI-OKILXGFUSA-N 0 1 397.357 3.304 20 0 GGADMN Cc1c(Br)cccc1CC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000477904666 567425978 /nfs/dbraw/zinc/42/59/78/567425978.db2.gz ITAIETWACBSVLI-OKILXGFUSA-N 0 1 397.357 3.304 20 0 GGADMN O=S(=O)(CCO)c1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000477923818 567426082 /nfs/dbraw/zinc/42/60/82/567426082.db2.gz CCKCDCQHCRDPSZ-QGZVFWFLSA-N 0 1 397.949 3.433 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1Br ZINC000436470786 567426363 /nfs/dbraw/zinc/42/63/63/567426363.db2.gz SPGRQZMZMLWTGP-UHFFFAOYSA-N 0 1 399.676 3.099 20 0 GGADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1cccc(C(C)C)c1 ZINC000436474534 567426439 /nfs/dbraw/zinc/42/64/39/567426439.db2.gz DCDLDHXBPPCASH-CQSZACIVSA-N 0 1 381.416 3.460 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000569723924 567426933 /nfs/dbraw/zinc/42/69/33/567426933.db2.gz RELMQPIMQCGESH-MRXNPFEDSA-N 0 1 391.313 3.157 20 0 GGADMN Cc1ccc(Br)c(C)c1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000569717371 567427156 /nfs/dbraw/zinc/42/71/56/567427156.db2.gz QFFUUBRIKDTPGW-INIZCTEOSA-N 0 1 395.341 3.250 20 0 GGADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000436479031 567427275 /nfs/dbraw/zinc/42/72/75/567427275.db2.gz SYNNKJPPPDDGGE-NSHDSACASA-N 0 1 391.770 3.129 20 0 GGADMN C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000618981608 567427442 /nfs/dbraw/zinc/42/74/42/567427442.db2.gz AIVIQPITLAUGCR-BZNIZROVSA-N 0 1 377.897 3.395 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000550100664 567427532 /nfs/dbraw/zinc/42/75/32/567427532.db2.gz AWNRVODBDKYRTK-VIFPVBQESA-N 0 1 386.235 3.256 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC(C)(C)O1 ZINC000502328463 567427677 /nfs/dbraw/zinc/42/76/77/567427677.db2.gz QTTLUPGZDWMIRX-NSHDSACASA-N 0 1 378.270 3.479 20 0 GGADMN C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccc(Br)s1 ZINC000550100758 567427885 /nfs/dbraw/zinc/42/78/85/567427885.db2.gz DODRIEKXYROCAV-MRVPVSSYSA-N 0 1 386.271 3.109 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000550100663 567428142 /nfs/dbraw/zinc/42/81/42/567428142.db2.gz AWNRVODBDKYRTK-SECBINFHSA-N 0 1 386.235 3.256 20 0 GGADMN C[C@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccc(Br)s1 ZINC000550100763 567428162 /nfs/dbraw/zinc/42/81/62/567428162.db2.gz DODRIEKXYROCAV-QMMMGPOBSA-N 0 1 386.271 3.109 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)[nH]1 ZINC000618982201 567428167 /nfs/dbraw/zinc/42/81/67/567428167.db2.gz VSKBUWOMCWAIBX-BZNIZROVSA-N 0 1 380.901 3.237 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000436485679 567428231 /nfs/dbraw/zinc/42/82/31/567428231.db2.gz GYBDCLANVCKIEW-TXEJJXNPSA-N 0 1 387.265 3.156 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)CC[C@@H]2CCCCO2)[C@@H]1c1cccs1 ZINC000641353335 567429667 /nfs/dbraw/zinc/42/96/67/567429667.db2.gz SKMLQUIXDBRXGP-SOLBZPMBSA-N 0 1 386.583 3.010 20 0 GGADMN Cc1ccc(CN2CC[C@@H](CN(C)Cc3coc(S(C)(=O)=O)c3)C2)s1 ZINC000528496978 567430587 /nfs/dbraw/zinc/43/05/87/567430587.db2.gz LIMITCVZYYNEMQ-HNNXBMFYSA-N 0 1 382.551 3.007 20 0 GGADMN Cc1ccc(CN2CC[C@H](CN(C)Cc3coc(S(C)(=O)=O)c3)C2)s1 ZINC000528496979 567430753 /nfs/dbraw/zinc/43/07/53/567430753.db2.gz LIMITCVZYYNEMQ-OAHLLOKOSA-N 0 1 382.551 3.007 20 0 GGADMN O=C(NCc1nc(-c2cccc(F)c2)no1)c1cccc(Br)c1O ZINC000569783899 567431155 /nfs/dbraw/zinc/43/11/55/567431155.db2.gz GDRWRSGDAFDDIO-UHFFFAOYSA-N 0 1 392.184 3.274 20 0 GGADMN CC(C)[C@@H]1CN([C@H]2CCN(c3cccc(Br)c3)C2=O)CCCO1 ZINC000550186875 567432192 /nfs/dbraw/zinc/43/21/92/567432192.db2.gz QMNZDJTYPPQIMX-IRXDYDNUSA-N 0 1 381.314 3.301 20 0 GGADMN Cc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Br)s1 ZINC000569789587 567432598 /nfs/dbraw/zinc/43/25/98/567432598.db2.gz WPKRXUDXANDAHA-SNVBAGLBSA-N 0 1 396.314 3.229 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1c(O)cc(Cl)cc1Cl ZINC000436547382 567432747 /nfs/dbraw/zinc/43/27/47/567432747.db2.gz KAKSACYBWHWJJH-GFCCVEGCSA-N 0 1 383.206 3.373 20 0 GGADMN Cc1cc(C)n([C@@H](C)CC(=O)NCc2nc3cccc(Br)c3[nH]2)n1 ZINC000457028091 567432892 /nfs/dbraw/zinc/43/28/92/567432892.db2.gz GMJOKYCASGTLOB-LBPRGKRZSA-N 0 1 390.285 3.406 20 0 GGADMN Cc1nc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(Br)s1 ZINC000569789586 567433117 /nfs/dbraw/zinc/43/31/17/567433117.db2.gz WPKRXUDXANDAHA-JTQLQIEISA-N 0 1 396.314 3.229 20 0 GGADMN Cn1nc(C(C)(C)C)cc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457018990 567433242 /nfs/dbraw/zinc/43/32/42/567433242.db2.gz BLLUYJBHTVIRTR-UHFFFAOYSA-N 0 1 390.285 3.286 20 0 GGADMN CN(C)C(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1Cl ZINC000436556658 567434458 /nfs/dbraw/zinc/43/44/58/567434458.db2.gz SUHGIJHIXQUBHP-UHFFFAOYSA-N 0 1 383.231 3.418 20 0 GGADMN CC(C)(COCC(F)F)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457036438 567434925 /nfs/dbraw/zinc/43/49/25/567434925.db2.gz KZOHCEDXTZZUGG-UHFFFAOYSA-N 0 1 390.228 3.250 20 0 GGADMN Cc1c(Br)cccc1CC(=O)NCCN1CCc2ccccc2C1 ZINC000478074246 567435744 /nfs/dbraw/zinc/43/57/44/567435744.db2.gz BPXLIHDMEWAKCN-UHFFFAOYSA-N 0 1 387.321 3.475 20 0 GGADMN CCc1ncnc(CC)c1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457066434 567435904 /nfs/dbraw/zinc/43/59/04/567435904.db2.gz SBHOBBLDHTXRJG-UHFFFAOYSA-N 0 1 388.269 3.170 20 0 GGADMN CCc1noc(CC)c1CC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457065668 567436438 /nfs/dbraw/zinc/43/64/38/567436438.db2.gz RSDYPUNWWBJDAI-UHFFFAOYSA-N 0 1 391.269 3.297 20 0 GGADMN CC(C)(C)n1cc(C(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000457065050 567436615 /nfs/dbraw/zinc/43/66/15/567436615.db2.gz RORDMIJNKDDAKK-UHFFFAOYSA-N 0 1 376.258 3.207 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457059301 567436740 /nfs/dbraw/zinc/43/67/40/567436740.db2.gz NUAOPOUDWMBBIZ-SECBINFHSA-N 0 1 390.285 3.096 20 0 GGADMN Cc1c(NC(=O)c2ccc(Br)cc2O)cccc1N1CN=NC1=O ZINC000436597388 567436828 /nfs/dbraw/zinc/43/68/28/567436828.db2.gz VCRCHUVWLRDWLT-UHFFFAOYSA-N 0 1 389.209 3.002 20 0 GGADMN O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc(Br)cc1O ZINC000436594516 567437084 /nfs/dbraw/zinc/43/70/84/567437084.db2.gz FMIZZIWXCBAHSL-UHFFFAOYSA-N 0 1 382.161 3.363 20 0 GGADMN C[C@](O)(CNCc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000569860558 567437716 /nfs/dbraw/zinc/43/77/16/567437716.db2.gz DNLJTSDJYFMSDG-SFHVURJKSA-N 0 1 393.329 3.451 20 0 GGADMN CN(C(=O)CSC[C@H]1CCCCO1)C1CCN(CCC(F)(F)F)CC1 ZINC000457086089 567437750 /nfs/dbraw/zinc/43/77/50/567437750.db2.gz NPSWQINCZPNUNA-OAHLLOKOSA-N 0 1 382.492 3.164 20 0 GGADMN C[C@H]1CCc2onc(C(=O)NCc3nc4cccc(Br)c4[nH]3)c2C1 ZINC000457074810 567437928 /nfs/dbraw/zinc/43/79/28/567437928.db2.gz ZDDUAPGWILRHAB-VIFPVBQESA-N 0 1 389.253 3.368 20 0 GGADMN CN(C(=O)CSCc1cscn1)C1CCN(CCC(F)(F)F)CC1 ZINC000457085809 567438183 /nfs/dbraw/zinc/43/81/83/567438183.db2.gz NIQRLWWQFLHMFX-UHFFFAOYSA-N 0 1 381.489 3.252 20 0 GGADMN O=S(=O)(C1CCN(CCSc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000502498662 567438660 /nfs/dbraw/zinc/43/86/60/567438660.db2.gz WFWDNINYHOPIND-UHFFFAOYSA-N 0 1 388.986 3.322 20 0 GGADMN COC(=O)c1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1OC ZINC000436627114 567438690 /nfs/dbraw/zinc/43/86/90/567438690.db2.gz NIRUQXHYPAXQJA-UHFFFAOYSA-N 0 1 384.215 3.424 20 0 GGADMN CN(C(=O)c1cc2c(s1)CCOC2)C1CCN(CCC(F)(F)F)CC1 ZINC000457093628 567439265 /nfs/dbraw/zinc/43/92/65/567439265.db2.gz YICUHQDPCSTDFW-UHFFFAOYSA-N 0 1 376.444 3.310 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl ZINC000436657918 567440701 /nfs/dbraw/zinc/44/07/01/567440701.db2.gz SJMQODOVNRFEEI-HNNXBMFYSA-N 0 1 383.206 3.151 20 0 GGADMN C[N@@H+](CCNC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CCCC1 ZINC000569890216 567440644 /nfs/dbraw/zinc/44/06/44/567440644.db2.gz FEJHJTQYYFTLGX-UHFFFAOYSA-N 0 1 379.917 3.276 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000457110436 567440684 /nfs/dbraw/zinc/44/06/84/567440684.db2.gz FMRUCSQMARVKIJ-MRVPVSSYSA-N 0 1 385.251 3.345 20 0 GGADMN CSc1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000569882990 567440747 /nfs/dbraw/zinc/44/07/47/567440747.db2.gz WHJLGWVIWHSCEP-BEFAXECRSA-N 0 1 376.547 3.350 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000457110438 567440771 /nfs/dbraw/zinc/44/07/71/567440771.db2.gz FMRUCSQMARVKIJ-QMMMGPOBSA-N 0 1 385.251 3.345 20 0 GGADMN Cc1nccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1Cl ZINC000478186596 567440809 /nfs/dbraw/zinc/44/08/09/567440809.db2.gz YGIGNWAWYWIEDM-UHFFFAOYSA-N 0 1 386.304 3.208 20 0 GGADMN CC(C)C(=O)NCCN(C)CCOc1ccc(Cl)cc1Br ZINC000502542906 567442182 /nfs/dbraw/zinc/44/21/82/567442182.db2.gz GRGFGQHMDGSQKK-UHFFFAOYSA-N 0 1 377.710 3.185 20 0 GGADMN COc1cc(NC(=O)c2cc3c(s2)CCNC3)cc(OC)c1Br ZINC000662511945 567442721 /nfs/dbraw/zinc/44/27/21/567442721.db2.gz NAKHBCFRMVFVNX-UHFFFAOYSA-N 0 1 397.294 3.426 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)Cc1cc(Cl)ccc1Br ZINC000457126893 567442946 /nfs/dbraw/zinc/44/29/46/567442946.db2.gz QCRPHJOTFPKJFV-UHFFFAOYSA-N 0 1 399.676 3.229 20 0 GGADMN Cc1nccc(N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1Cl ZINC000478240572 567443117 /nfs/dbraw/zinc/44/31/17/567443117.db2.gz SVPCNDQLEULKSA-QGZVFWFLSA-N 0 1 379.291 3.045 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)CCCc1ccccc1Br ZINC000457140628 567443407 /nfs/dbraw/zinc/44/34/07/567443407.db2.gz YZWACVVZBQTSOZ-UHFFFAOYSA-N 0 1 393.285 3.356 20 0 GGADMN CCn1nccc1C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000569914549 567443497 /nfs/dbraw/zinc/44/34/97/567443497.db2.gz VOKPQSSOULGXRT-UHFFFAOYSA-N 0 1 378.270 3.391 20 0 GGADMN CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(Br)ccc1[O-] ZINC000436711710 567443598 /nfs/dbraw/zinc/44/35/98/567443598.db2.gz KHVQGYAUXQQELU-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(Br)ccc1[O-] ZINC000436711710 567443600 /nfs/dbraw/zinc/44/36/00/567443600.db2.gz KHVQGYAUXQQELU-UHFFFAOYSA-N 0 1 381.270 3.342 20 0 GGADMN COc1cc(NC(=O)c2ccc3cncn3c2)cc(OC)c1Br ZINC000550397733 567444373 /nfs/dbraw/zinc/44/43/73/567444373.db2.gz CVTUFMDDFPYBFF-UHFFFAOYSA-N 0 1 376.210 3.366 20 0 GGADMN Cc1csc(C(=O)N(C)CCN2CCCCC2)c1I ZINC000593883457 567444992 /nfs/dbraw/zinc/44/49/92/567444992.db2.gz OTBZBHKFPJSKMG-UHFFFAOYSA-N 0 1 392.306 3.219 20 0 GGADMN COC(=O)[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@H]1C1CC1 ZINC000593891882 567444918 /nfs/dbraw/zinc/44/49/18/567444918.db2.gz RAHLONAXXTVGMF-NWDGAFQWSA-N 0 1 379.869 3.063 20 0 GGADMN Cc1nnc(NC(=O)CCCCc2ccc(I)cc2)[nH]1 ZINC000502641185 567445829 /nfs/dbraw/zinc/44/58/29/567445829.db2.gz MHLGAYRRVDNYNC-UHFFFAOYSA-N 0 1 384.221 3.069 20 0 GGADMN O=C(c1ccc(F)cc1O)N1CCN(c2cccc(Br)c2)CC1 ZINC000436721438 567445956 /nfs/dbraw/zinc/44/59/56/567445956.db2.gz HVJPWLYUPVFNEY-UHFFFAOYSA-N 0 1 379.229 3.256 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)NCCCN1CCc2ccccc2C1 ZINC000550432007 567446482 /nfs/dbraw/zinc/44/64/82/567446482.db2.gz ONJQNOCXTUOJPI-UHFFFAOYSA-N 0 1 378.925 3.208 20 0 GGADMN OC[C@]1(NCc2cn3cc(Cl)cc(Cl)c3n2)COc2ccccc2C1 ZINC000528653090 567446459 /nfs/dbraw/zinc/44/64/59/567446459.db2.gz RYNLSMMEVNGGSP-SFHVURJKSA-N 0 1 378.259 3.097 20 0 GGADMN O=C(NCCCn1cc(Br)cn1)c1c(O)cc(Cl)cc1Cl ZINC000436739171 567447157 /nfs/dbraw/zinc/44/71/57/567447157.db2.gz NEIRJUDJBHINHO-UHFFFAOYSA-N 0 1 393.068 3.478 20 0 GGADMN COCCOc1c(Cl)cc(NC(=O)N2CCNC[C@@H]2C(C)C)cc1Cl ZINC000528684747 567447761 /nfs/dbraw/zinc/44/77/61/567447761.db2.gz IHUBNMXBMJZUJP-OAHLLOKOSA-N 0 1 390.311 3.480 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000528682235 567447999 /nfs/dbraw/zinc/44/79/99/567447999.db2.gz RQAUTEVTGCHLPN-INIZCTEOSA-N 0 1 392.301 3.097 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000528690003 567448234 /nfs/dbraw/zinc/44/82/34/567448234.db2.gz VPQUFHUTNUMQSB-INIZCTEOSA-N 0 1 392.301 3.097 20 0 GGADMN Cc1csc(CNC[C@@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000569961150 567448312 /nfs/dbraw/zinc/44/83/12/567448312.db2.gz YSDNJOLPASLFPX-LLVKDONJSA-N 0 1 391.718 3.397 20 0 GGADMN CO[C@H]1CCCC[C@H]1S(=O)(=O)Nc1ccccc1OCc1cscn1 ZINC000641682144 567448541 /nfs/dbraw/zinc/44/85/41/567448541.db2.gz ARFWHCFDYGEUCI-DLBZAZTESA-N 0 1 382.507 3.421 20 0 GGADMN OC[C@@]1([C@@H](NCc2c(F)ccc(Br)c2F)C2CC2)CCCO1 ZINC000550503008 567449034 /nfs/dbraw/zinc/44/90/34/567449034.db2.gz DLADDHSLCAVZKG-JKSUJKDBSA-N 0 1 376.241 3.137 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)c(F)c1 ZINC000550461844 567449343 /nfs/dbraw/zinc/44/93/43/567449343.db2.gz DPPGXOSWESJUDK-LBPRGKRZSA-N 0 1 398.264 3.387 20 0 GGADMN COCCNC(=O)C1(NCc2csc3c2cccc3Br)CC1 ZINC000569988788 567449593 /nfs/dbraw/zinc/44/95/93/567449593.db2.gz QGVBSHJCSGGBRF-UHFFFAOYSA-N 0 1 383.311 3.049 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1F ZINC000436742079 567449919 /nfs/dbraw/zinc/44/99/19/567449919.db2.gz WSJRCQWGCVHXNS-UHFFFAOYSA-N 0 1 381.245 3.285 20 0 GGADMN CC(C)(CO)[C@@H](NCc1nc(-c2ccc(Br)s2)no1)C1CC1 ZINC000550462431 567449989 /nfs/dbraw/zinc/44/99/89/567449989.db2.gz IKWRNEODECGGMU-ZDUSSCGKSA-N 0 1 386.315 3.447 20 0 GGADMN CSCC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)N(C)C ZINC000436748727 567450118 /nfs/dbraw/zinc/45/01/18/567450118.db2.gz UXVVKKFCUYJLFU-HNNXBMFYSA-N 0 1 380.897 3.139 20 0 GGADMN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(Cl)cc2O)c1C ZINC000436753554 567450215 /nfs/dbraw/zinc/45/02/15/567450215.db2.gz DYMUWIBOTLYPDZ-UHFFFAOYSA-N 0 1 382.869 3.165 20 0 GGADMN O=C(N[C@H]1CCc2c1cccc2Br)N1CCN(C2CCC2)CC1 ZINC000502773897 567450194 /nfs/dbraw/zinc/45/01/94/567450194.db2.gz MGLWQIXBRVSGSR-KRWDZBQOSA-N 0 1 378.314 3.316 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)c(F)cc1F ZINC000641692064 567450298 /nfs/dbraw/zinc/45/02/98/567450298.db2.gz KATPKYJGWYNGMS-UHFFFAOYSA-N 0 1 389.733 3.486 20 0 GGADMN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000641691766 567450363 /nfs/dbraw/zinc/45/03/63/567450363.db2.gz JIYSTZCNWKUYBI-UHFFFAOYSA-N 0 1 399.826 3.294 20 0 GGADMN CCOc1cccc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1 ZINC000641693454 567450400 /nfs/dbraw/zinc/45/04/00/567450400.db2.gz ZGUQAIZXCFNBEY-UHFFFAOYSA-N 0 1 383.779 3.298 20 0 GGADMN COc1cccc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1F ZINC000641693033 567450544 /nfs/dbraw/zinc/45/05/44/567450544.db2.gz WLRYMLXDISJMDK-UHFFFAOYSA-N 0 1 387.742 3.047 20 0 GGADMN Cc1cc(NS(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)nn1CC(F)(F)F ZINC000641690612 567450634 /nfs/dbraw/zinc/45/06/34/567450634.db2.gz MDEABLUAJCICMK-QWHCGFSZSA-N 0 1 377.363 3.191 20 0 GGADMN C[N@@H+](CCNC(=O)c1cc(Br)cc(Cl)c1[O-])C1CCCC1 ZINC000436766806 567450806 /nfs/dbraw/zinc/45/08/06/567450806.db2.gz FOTMBWXPJAAHGF-UHFFFAOYSA-N 0 1 375.694 3.412 20 0 GGADMN CCN(Cc1c(F)ccc(I)c1F)C[C@H]1CCOC1 ZINC000619423959 567450819 /nfs/dbraw/zinc/45/08/19/567450819.db2.gz VDEAWIREEYVCAH-SNVBAGLBSA-N 0 1 381.204 3.428 20 0 GGADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000478372667 567450769 /nfs/dbraw/zinc/45/07/69/567450769.db2.gz PXNLZCXIQKVLJY-DOTOQJQBSA-N 0 1 377.257 3.416 20 0 GGADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000478372717 567451098 /nfs/dbraw/zinc/45/10/98/567451098.db2.gz QFPINDWRWFUQBM-DOTOQJQBSA-N 0 1 377.257 3.416 20 0 GGADMN O=C(CCNCc1cn2ccc(Br)cc2n1)NC1CCCCC1 ZINC000570011559 567451080 /nfs/dbraw/zinc/45/10/80/567451080.db2.gz HXWHPRZPDZYDFZ-UHFFFAOYSA-N 0 1 379.302 3.025 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)C[C@H](C)S1(=O)=O ZINC000436799139 567452141 /nfs/dbraw/zinc/45/21/41/567452141.db2.gz XCYYRQKETOURQK-NWDGAFQWSA-N 0 1 381.881 3.237 20 0 GGADMN CCN(CCNC(=O)c1cc(Br)ccc1O)CCC(F)(F)F ZINC000436797585 567452230 /nfs/dbraw/zinc/45/22/30/567452230.db2.gz ONWFRIKMABQXHP-UHFFFAOYSA-N 0 1 383.208 3.159 20 0 GGADMN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)c(Cl)c1 ZINC000436796217 567452250 /nfs/dbraw/zinc/45/22/50/567452250.db2.gz IXRQSXIUVQPJMU-UHFFFAOYSA-N 0 1 388.272 3.293 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)C[C@@H](C)S1(=O)=O ZINC000436799141 567452452 /nfs/dbraw/zinc/45/24/52/567452452.db2.gz XCYYRQKETOURQK-VXGBXAGGSA-N 0 1 381.881 3.237 20 0 GGADMN COc1ccccc1-c1nc(NC(=O)c2ccc(Br)cc2O)n[nH]1 ZINC000436804358 567452674 /nfs/dbraw/zinc/45/26/74/567452674.db2.gz ALZDAMZGGBPQBY-UHFFFAOYSA-N 0 1 389.209 3.201 20 0 GGADMN O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ncccc1O ZINC000502812079 567452990 /nfs/dbraw/zinc/45/29/90/567452990.db2.gz YVDICYVPIIJNNA-UHFFFAOYSA-N 0 1 395.213 3.460 20 0 GGADMN COCCn1c(NC(=O)c2ccc(Br)cc2O)nc2ccccc21 ZINC000436788713 567453118 /nfs/dbraw/zinc/45/31/18/567453118.db2.gz BRDHMACOSBWTMO-UHFFFAOYSA-N 0 1 390.237 3.403 20 0 GGADMN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000436791313 567453225 /nfs/dbraw/zinc/45/32/25/567453225.db2.gz JQMZUQZQNPXROO-CYBMUJFWSA-N 0 1 388.620 3.411 20 0 GGADMN O=S(=O)(c1csc(-c2ccccc2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000594037146 567453892 /nfs/dbraw/zinc/45/38/92/567453892.db2.gz JLZJCJSZQUTXPT-MRXNPFEDSA-N 0 1 377.535 3.059 20 0 GGADMN O=C([C@H]1C[C@]12CCc1cc(Br)ccc12)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570042224 567454461 /nfs/dbraw/zinc/45/44/61/567454461.db2.gz DWHOJWKEEDPJGP-GFIVTLFCSA-N 0 1 375.310 3.006 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000502824764 567454630 /nfs/dbraw/zinc/45/46/30/567454630.db2.gz PSEAFPKRBADBNU-CYBMUJFWSA-N 0 1 393.336 3.221 20 0 GGADMN O=C(c1ccc(O)c(Cl)c1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000436817309 567454748 /nfs/dbraw/zinc/45/47/48/567454748.db2.gz WWPBQGNXCVNQCB-UHFFFAOYSA-N 0 1 379.243 3.184 20 0 GGADMN COc1ccc2c(c1)CCN(C(=O)[C@@](C)(N)c1ccc(Br)cc1)C2 ZINC000662687334 567455477 /nfs/dbraw/zinc/45/54/77/567455477.db2.gz AGLAUFHQYLMWRH-IBGZPJMESA-N 0 1 389.293 3.217 20 0 GGADMN O=C(NCc1ccc(Br)cc1Cl)N1CCN(C2CCC2)CC1 ZINC000502836894 567455597 /nfs/dbraw/zinc/45/55/97/567455597.db2.gz BTZJAJFMWBUXQY-UHFFFAOYSA-N 0 1 386.721 3.482 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000502832223 567455927 /nfs/dbraw/zinc/45/59/27/567455927.db2.gz XQUGGFPZCRIKOS-GFCCVEGCSA-N 0 1 393.336 3.221 20 0 GGADMN COCc1csc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000662662748 567456074 /nfs/dbraw/zinc/45/60/74/567456074.db2.gz CXIGLWDDYNPPSX-INIZCTEOSA-N 0 1 383.311 3.147 20 0 GGADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1ncc(-c2cccc(Br)c2)o1 ZINC000502836163 567456571 /nfs/dbraw/zinc/45/65/71/567456571.db2.gz OLEOHKZVWYVHDK-ZIAGYGMSSA-N 0 1 378.270 3.108 20 0 GGADMN O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(F)cc(Br)c1[O-] ZINC000436852917 567457871 /nfs/dbraw/zinc/45/78/71/567457871.db2.gz QDIFDMKBPYOWTK-AWEZNQCLSA-N 0 1 397.244 3.454 20 0 GGADMN CNC(=O)[C@H]1CCC[C@@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000502855180 567458143 /nfs/dbraw/zinc/45/81/43/567458143.db2.gz KCOYTFUVFFWOHX-GJZGRUSLSA-N 0 1 378.270 3.108 20 0 GGADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000478457250 567458678 /nfs/dbraw/zinc/45/86/78/567458678.db2.gz KCUIJTPIOMCLGT-DOTOQJQBSA-N 0 1 377.257 3.416 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccc2cncn2c1 ZINC000550707619 567459037 /nfs/dbraw/zinc/45/90/37/567459037.db2.gz UBUGELKSMVDAGD-CQSZACIVSA-N 0 1 385.265 3.106 20 0 GGADMN NS(=O)(=O)c1cc(Cl)cc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000550706572 567459205 /nfs/dbraw/zinc/45/92/05/567459205.db2.gz KQZDFCRLNSQDAE-UHFFFAOYSA-N 0 1 380.897 3.105 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000436857870 567459617 /nfs/dbraw/zinc/45/96/17/567459617.db2.gz LRPCEYAIYATBOV-JKSUJKDBSA-N 0 1 393.256 3.469 20 0 GGADMN CO[C@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000662733166 567459676 /nfs/dbraw/zinc/45/96/76/567459676.db2.gz HYRUEGBMAUYAGJ-SJLPKXTDSA-N 0 1 383.330 3.335 20 0 GGADMN CS(=O)(=O)CCCC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457347224 567460452 /nfs/dbraw/zinc/46/04/52/567460452.db2.gz AQNVQEQDHKSVCD-OAHLLOKOSA-N 0 1 383.901 3.095 20 0 GGADMN CC(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457363987 567460835 /nfs/dbraw/zinc/46/08/35/567460835.db2.gz MJLOERRSMWMVRO-OAHLLOKOSA-N 0 1 383.901 3.093 20 0 GGADMN C[C@](N)(C(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000662756379 567461413 /nfs/dbraw/zinc/46/14/13/567461413.db2.gz FMZRGYMCCDKVDN-IIDMSEBBSA-N 0 1 381.314 3.039 20 0 GGADMN CCCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457379808 567461839 /nfs/dbraw/zinc/46/18/39/567461839.db2.gz ULXRQZIKZMTAJL-OAHLLOKOSA-N 0 1 383.901 3.095 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)N2CCNC[C@@H]2c2ccccc2)n1 ZINC000662812364 567462563 /nfs/dbraw/zinc/46/25/63/567462563.db2.gz AJCLQOQTPPHDHV-OAHLLOKOSA-N 0 1 391.313 3.187 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)c1 ZINC000436881398 567463095 /nfs/dbraw/zinc/46/30/95/567463095.db2.gz NNZXLKZJFZWENC-INIZCTEOSA-N 0 1 376.206 3.300 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC(Oc2ccncc2)C1 ZINC000594170078 567463671 /nfs/dbraw/zinc/46/36/71/567463671.db2.gz NZXCODHSMQGVCK-UHFFFAOYSA-N 0 1 399.248 3.138 20 0 GGADMN CCOC(=O)[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)[C@@H](C)CC ZINC000502994786 567463701 /nfs/dbraw/zinc/46/37/01/567463701.db2.gz VIMHSDGAGZNJBU-ZANVPECISA-N 0 1 382.258 3.033 20 0 GGADMN CCOC(=O)[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)[C@@H](C)CC ZINC000502994784 567463929 /nfs/dbraw/zinc/46/39/29/567463929.db2.gz VIMHSDGAGZNJBU-TVQRCGJNSA-N 0 1 382.258 3.033 20 0 GGADMN C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000436895464 567464087 /nfs/dbraw/zinc/46/40/87/567464087.db2.gz JEEFDXAIAYQZHX-SNVBAGLBSA-N 0 1 379.243 3.360 20 0 GGADMN CCCCOCCCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457428306 567464327 /nfs/dbraw/zinc/46/43/27/567464327.db2.gz YGEVTUQYNZURQF-UHFFFAOYSA-N 0 1 383.290 3.331 20 0 GGADMN Cc1ccc2nc(SCCN(Cc3ccccc3)S(C)(=O)=O)[nH]c2c1 ZINC000478520838 567464305 /nfs/dbraw/zinc/46/43/05/567464305.db2.gz GJTVHISWNORNMQ-UHFFFAOYSA-N 0 1 375.519 3.425 20 0 GGADMN Cc1cc(Br)c(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000457411566 567464540 /nfs/dbraw/zinc/46/45/40/567464540.db2.gz XHNLIBKJUSQRML-QWRGUYRKSA-N 0 1 375.332 3.048 20 0 GGADMN Cc1c[nH+]cn1C1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436912063 567464530 /nfs/dbraw/zinc/46/45/30/567464530.db2.gz CDBRWLNBCJZBNX-UHFFFAOYSA-N 0 1 382.233 3.276 20 0 GGADMN O=C(CSCC(=O)c1ccc(Cl)cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195727 567465222 /nfs/dbraw/zinc/46/52/22/567465222.db2.gz IDIMWJQTUYOINI-DLBZAZTESA-N 0 1 380.941 3.389 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000662857519 567465651 /nfs/dbraw/zinc/46/56/51/567465651.db2.gz NPLWKEQGCOAWKB-UHFFFAOYSA-N 0 1 383.279 3.138 20 0 GGADMN Cc1cn2ccnc(C(=O)Nc3cc(Br)cc(Cl)c3O)c2n1 ZINC000436928899 567465951 /nfs/dbraw/zinc/46/59/51/567465951.db2.gz SGFVMGIHUGJALL-UHFFFAOYSA-N 0 1 381.617 3.412 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662861886 567466352 /nfs/dbraw/zinc/46/63/52/567466352.db2.gz BAWKAFQXWJXRGK-QGZVFWFLSA-N 0 1 398.304 3.385 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436927906 567466724 /nfs/dbraw/zinc/46/67/24/567466724.db2.gz UIWRMYYDXSPHNQ-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN COCC[N@@H+](C)CCNC(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000503045610 567466697 /nfs/dbraw/zinc/46/66/97/567466697.db2.gz BCBLJXCPLCZHNJ-UHFFFAOYSA-N 0 1 398.345 3.096 20 0 GGADMN O=C([C@@H]1NCCc2ccccc21)N1CCc2sc(Br)cc2C1 ZINC000662883873 567467518 /nfs/dbraw/zinc/46/75/18/567467518.db2.gz QBTLZTCQJVZBJM-MRXNPFEDSA-N 0 1 377.307 3.282 20 0 GGADMN Clc1cc(Br)ccc1CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000550885020 567467964 /nfs/dbraw/zinc/46/79/64/567467964.db2.gz BMQQOYGWMFEDDR-CQSZACIVSA-N 0 1 378.661 3.495 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000594281329 567467820 /nfs/dbraw/zinc/46/78/20/567467820.db2.gz DVLLWHDKYJKEIT-HNNXBMFYSA-N 0 1 384.351 3.164 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2Cl)nn1)c1cccs1 ZINC000478568915 567468382 /nfs/dbraw/zinc/46/83/82/567468382.db2.gz CJQNJWSIVAWIJK-OAHLLOKOSA-N 0 1 375.885 3.015 20 0 GGADMN COCCOc1ccc(-c2noc(-c3ccc(Br)cc3O)n2)cn1 ZINC000436951500 567469003 /nfs/dbraw/zinc/46/90/03/567469003.db2.gz SHNRYJGQPIDYMI-UHFFFAOYSA-N 0 1 392.209 3.292 20 0 GGADMN COCCCn1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)cn1 ZINC000528924289 567469934 /nfs/dbraw/zinc/46/99/34/567469934.db2.gz OMHPHZDQCRHNPZ-UHFFFAOYSA-N 0 1 388.649 3.293 20 0 GGADMN O=C(c1cc(O)cc(Br)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000528930770 567470010 /nfs/dbraw/zinc/47/00/10/567470010.db2.gz FJTDPKKJKKCARY-NSHDSACASA-N 0 1 391.269 3.170 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC[N@H+]1CCOC ZINC000436959697 567470505 /nfs/dbraw/zinc/47/05/05/567470505.db2.gz BDZJLUNISHNPDV-CYBMUJFWSA-N 0 1 375.296 3.272 20 0 GGADMN Cc1ccc(NC(=O)CCN[C@@H]2COc3cc(F)c(Br)cc32)nc1 ZINC000570274363 567471687 /nfs/dbraw/zinc/47/16/87/567471687.db2.gz QHLJDUCVKPEAAL-CQSZACIVSA-N 0 1 394.244 3.344 20 0 GGADMN CCS(=O)(=O)c1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)s1 ZINC000436988460 567472499 /nfs/dbraw/zinc/47/24/99/567472499.db2.gz LGUGRFJSGNHJGI-UHFFFAOYSA-N 0 1 394.301 3.484 20 0 GGADMN COc1ccc(I)c(NC(=O)c2ccc3cncn3c2)c1 ZINC000570299962 567473413 /nfs/dbraw/zinc/47/34/13/567473413.db2.gz USVPRMURBYZOTL-UHFFFAOYSA-N 0 1 393.184 3.200 20 0 GGADMN 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379.507 3.368 20 0 GGADMN C[C@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000643148024 567494734 /nfs/dbraw/zinc/49/47/34/567494734.db2.gz SNRCWVJBZUMCPU-MAUKXSAKSA-N 0 1 395.341 3.266 20 0 GGADMN C[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000643148026 567495296 /nfs/dbraw/zinc/49/52/96/567495296.db2.gz SNRCWVJBZUMCPU-YJBOKZPZSA-N 0 1 395.341 3.266 20 0 GGADMN CC(C)c1nc(CN2C(=O)[C@H](c3cccc(Cl)c3Cl)N(C)C2=O)n[nH]1 ZINC000663320380 567496237 /nfs/dbraw/zinc/49/62/37/567496237.db2.gz UGVPTBZTDHJHLO-ZDUSSCGKSA-N 0 1 382.251 3.370 20 0 GGADMN CCc1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1 ZINC000437419311 567496931 /nfs/dbraw/zinc/49/69/31/567496931.db2.gz JEOCWCKRPIABRG-UHFFFAOYSA-N 0 1 388.230 3.049 20 0 GGADMN CC(C)(CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)[C@@]1(O)CCCOC1 ZINC000620115928 567497711 /nfs/dbraw/zinc/49/77/11/567497711.db2.gz HNTFOQVZECUWCV-QGZVFWFLSA-N 0 1 383.901 3.089 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2CNC3=O)cc1Cl ZINC000570596438 567498447 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C[C@@H](NC[C@@H](O)CC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479061406 567499921 /nfs/dbraw/zinc/49/99/21/567499921.db2.gz MVRDHKISPQFCES-ZJUUUORDSA-N 0 1 383.341 3.089 20 0 GGADMN C[C@H](NC[C@]1(C)CCCC[C@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479067792 567500983 /nfs/dbraw/zinc/50/09/83/567500983.db2.gz WIQDMQVALXBRCN-JQAFLVLXSA-N 0 1 395.352 3.233 20 0 GGADMN C[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479067789 567501024 /nfs/dbraw/zinc/50/10/24/567501024.db2.gz WIQDMQVALXBRCN-AMKSKSKJSA-N 0 1 395.352 3.233 20 0 GGADMN Cc1ccc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000437639705 567501744 /nfs/dbraw/zinc/50/17/44/567501744.db2.gz DEMAKPKHMNOJOX-HUUCEWRRSA-N 0 1 397.357 3.304 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c1 ZINC000551383187 567501712 /nfs/dbraw/zinc/50/17/12/567501712.db2.gz BUGUUXWIEBUWRC-UHFFFAOYSA-N 0 1 377.857 3.069 20 0 GGADMN COc1cccc(CNCCS(=O)(=O)c2cccc(Br)c2)c1C ZINC000663371919 567502477 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COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)o1 ZINC000479114858 567504393 /nfs/dbraw/zinc/50/43/93/567504393.db2.gz KLZAEVBRHKGHPN-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H]1[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000551419905 567504508 /nfs/dbraw/zinc/50/45/08/567504508.db2.gz QNLLIGQOXFHNOV-XKQJLSEDSA-N 0 1 381.314 3.270 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1Br ZINC000551423226 567504685 /nfs/dbraw/zinc/50/46/85/567504685.db2.gz RAMWDFXHEAFFKJ-LBPRGKRZSA-N 0 1 392.175 3.123 20 0 GGADMN COC(=O)c1cc(Br)cc(NS(=O)(=O)c2ccco2)c1Cl ZINC000437671357 567505259 /nfs/dbraw/zinc/50/52/59/567505259.db2.gz FVEYABDHIXYISO-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN Brc1ccc2nnc(NCCN3CCc4sccc4C3)n2c1 ZINC000663416326 567505375 /nfs/dbraw/zinc/50/53/75/567505375.db2.gz MVWXMXNALYTNAO-UHFFFAOYSA-N 0 1 378.299 3.024 20 0 GGADMN Cc1ccc2nc(CN[C@H](c3cncc(Br)c3)C3CC3)cc(=O)n2c1 ZINC000551426406 567505763 /nfs/dbraw/zinc/50/57/63/567505763.db2.gz XYFNNRVAMHQYAT-IBGZPJMESA-N 0 1 399.292 3.401 20 0 GGADMN CN1CC[C@H]2OCCN(C(=O)c3c(Br)ccc4ccccc43)[C@H]2C1 ZINC000529326480 567506420 /nfs/dbraw/zinc/50/64/20/567506420.db2.gz WWWDWWQDSSATSR-DLBZAZTESA-N 0 1 389.293 3.147 20 0 GGADMN COc1ccccc1[C@H](CO)NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000570714950 567506472 /nfs/dbraw/zinc/50/64/72/567506472.db2.gz OSMWWVWWHXNRDG-BBRMVZONSA-N 0 1 386.275 3.065 20 0 GGADMN COc1ccccc1[C@@H](CO)NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000570714953 567506500 /nfs/dbraw/zinc/50/65/00/567506500.db2.gz OSMWWVWWHXNRDG-XJKSGUPXSA-N 0 1 386.275 3.065 20 0 GGADMN Fc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)nc1 ZINC000551435680 567506409 /nfs/dbraw/zinc/50/64/09/567506409.db2.gz RDLKAWDRDSBVOP-UHFFFAOYSA-N 0 1 387.172 3.485 20 0 GGADMN Cc1ncncc1-c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000551437181 567507114 /nfs/dbraw/zinc/50/71/14/567507114.db2.gz JTBGPHFQEGKNIC-UHFFFAOYSA-N 0 1 384.197 3.050 20 0 GGADMN COc1ccccc1[C@@H](CO)NC[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000570714952 567507147 /nfs/dbraw/zinc/50/71/47/567507147.db2.gz OSMWWVWWHXNRDG-CZUORRHYSA-N 0 1 386.275 3.065 20 0 GGADMN O=S(=O)(NCCNCc1ccc(Cl)cc1F)c1ccc(Cl)s1 ZINC000437772715 567508167 /nfs/dbraw/zinc/50/81/67/567508167.db2.gz JQYASSUGIRDHJU-UHFFFAOYSA-N 0 1 383.297 3.262 20 0 GGADMN C[C@H](N[C@@H]1CCCSc2ccc(Br)cc21)C(=O)NCCF ZINC000663443697 567508350 /nfs/dbraw/zinc/50/83/50/567508350.db2.gz HSPFHCBINWJXFN-GXFFZTMASA-N 0 1 375.307 3.440 20 0 GGADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000594772066 567510439 /nfs/dbraw/zinc/51/04/39/567510439.db2.gz ZQRIQHBEWBSPSN-LLVKDONJSA-N 0 1 382.835 3.121 20 0 GGADMN C[C@H](Cc1cccc(Br)c1)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000457977227 567511079 /nfs/dbraw/zinc/51/10/79/567511079.db2.gz BJMFHEHHZCWQMR-LLVKDONJSA-N 0 1 394.317 3.295 20 0 GGADMN CCc1nnc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)[nH]1 ZINC000479169123 567511188 /nfs/dbraw/zinc/51/11/88/567511188.db2.gz ZXMCXCAUWUMYQX-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN CCc1n[nH]c(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)n1 ZINC000479169123 567511192 /nfs/dbraw/zinc/51/11/92/567511192.db2.gz ZXMCXCAUWUMYQX-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000570765359 567511235 /nfs/dbraw/zinc/51/12/35/567511235.db2.gz AHJDMGDGAHUZNZ-SOUVJXGZSA-N 0 1 375.270 3.405 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccn(-c2ccc(Br)cc2)n1 ZINC000479169664 567511334 /nfs/dbraw/zinc/51/13/34/567511334.db2.gz NJMQCEYHZRXOGI-AWEZNQCLSA-N 0 1 386.253 3.165 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000479165132 567511617 /nfs/dbraw/zinc/51/16/17/567511617.db2.gz STEFBPUOBIVHTC-OAHLLOKOSA-N 0 1 375.416 3.295 20 0 GGADMN Cc1nnc(SCCC(=O)N2CC[C@@H]2c2ccc(Br)cc2)[nH]1 ZINC000620333844 567512871 /nfs/dbraw/zinc/51/28/71/567512871.db2.gz QACFTUZEELCHEE-CYBMUJFWSA-N 0 1 381.299 3.331 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)c2cc3c(cc(Br)cc3F)[nH]2)n[nH]1 ZINC000458015303 567513584 /nfs/dbraw/zinc/51/35/84/567513584.db2.gz CTOPEKSBSPEHBG-UHFFFAOYSA-N 0 1 394.248 3.415 20 0 GGADMN C[C@H](N[C@@H]1c2cc(Br)ccc2SC[C@H]1C)C(=O)NCCF ZINC000503939048 567513887 /nfs/dbraw/zinc/51/38/87/567513887.db2.gz XAQIUUQLWRSPHT-BFVZDQMLSA-N 0 1 375.307 3.296 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000458025541 567514987 /nfs/dbraw/zinc/51/49/87/567514987.db2.gz PBVUENWWLCKLAK-UHFFFAOYSA-N 0 1 390.285 3.205 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458024763 567515054 /nfs/dbraw/zinc/51/50/54/567515054.db2.gz OHEVWNQBNBMBMW-SNVBAGLBSA-N 0 1 397.292 3.499 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Cc2cc(Cl)ccc2Br)n[nH]1 ZINC000458025639 567515314 /nfs/dbraw/zinc/51/53/14/567515314.db2.gz PPUBWOGXJCZTBH-UHFFFAOYSA-N 0 1 385.693 3.377 20 0 GGADMN CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000620338660 567516052 /nfs/dbraw/zinc/51/60/52/567516052.db2.gz YIYJHBOTPZUCHA-ZIAGYGMSSA-N 0 1 377.286 3.125 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1ccsc1Cl ZINC000551548083 567516433 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Brc1ccc2onc(NC[C@@H]3CCCO[C@H]3c3cc[nH]n3)c2c1 ZINC000643787755 567519376 /nfs/dbraw/zinc/51/93/76/567519376.db2.gz GKOAZRWOUSGDFL-ZUZCIYMTSA-N 0 1 377.242 3.315 20 0 GGADMN O=S(=O)(Nc1cc(F)c(Br)cc1F)c1cn2c(n1)CCCC2 ZINC000504049100 567519720 /nfs/dbraw/zinc/51/97/20/567519720.db2.gz FYLMNBGIBFLGMD-UHFFFAOYSA-N 0 1 392.225 3.061 20 0 GGADMN COC(=O)c1cn(CCN[C@H](C)c2ccc(Cl)c(Cl)c2Cl)nn1 ZINC000551574986 567520037 /nfs/dbraw/zinc/52/00/37/567520037.db2.gz ZMHBGJOQSMCQIC-MRVPVSSYSA-N 0 1 377.659 3.376 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000570893596 567520917 /nfs/dbraw/zinc/52/09/17/567520917.db2.gz QHPUDBWRJRQDDG-XJKSGUPXSA-N 0 1 381.314 3.211 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1cc(S(C)(=O)=O)cc(C)c1C ZINC000479283923 567522350 /nfs/dbraw/zinc/52/23/50/567522350.db2.gz PJMOSXFNJBIAKO-UHFFFAOYSA-N 0 1 385.532 3.230 20 0 GGADMN COCCN(Cc1cc(Br)cs1)C(=O)c1cccc2nn[nH]c21 ZINC000570901800 567522626 /nfs/dbraw/zinc/52/26/26/567522626.db2.gz DVTULIDGCLKMGY-UHFFFAOYSA-N 0 1 395.282 3.071 20 0 GGADMN Cc1c(Br)cc(CN[C@H](C)CS(C)(=O)=O)cc1Br ZINC000570913527 567522834 /nfs/dbraw/zinc/52/28/34/567522834.db2.gz CPLSVACKRFSDLW-MRVPVSSYSA-N 0 1 399.148 3.043 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCCN(CC(=O)[O-])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000643876271 567523039 /nfs/dbraw/zinc/52/30/39/567523039.db2.gz PKJJTRJASWECNN-XPTSAGLGSA-N 0 1 377.243 3.249 20 0 GGADMN CCOC(=O)Cn1nc(C)c(CNCc2ccc(Br)cc2)c1C ZINC000438217077 567523605 /nfs/dbraw/zinc/52/36/05/567523605.db2.gz QUUBLLOQVBHZTD-UHFFFAOYSA-N 0 1 380.286 3.115 20 0 GGADMN C[NH+](C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000438232211 567524199 /nfs/dbraw/zinc/52/41/99/567524199.db2.gz FQJKJBDEMJIIAF-UHFFFAOYSA-N 0 1 383.311 3.354 20 0 GGADMN C[C@@H](CO[C@@H]1CCOC1)NCc1cc(Cl)ccc1I ZINC000594931767 567526873 /nfs/dbraw/zinc/52/68/73/567526873.db2.gz IDIGTEWPUNJCQS-GXFFZTMASA-N 0 1 395.668 3.228 20 0 GGADMN OC[C@H](Cc1ccccc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000438351224 567526951 /nfs/dbraw/zinc/52/69/51/567526951.db2.gz CWRCJVQVGHDAMX-HNNXBMFYSA-N 0 1 377.275 3.267 20 0 GGADMN C[C@@H](CO[C@H]1CCOC1)NCc1cc(Cl)ccc1I ZINC000594931766 567527029 /nfs/dbraw/zinc/52/70/29/567527029.db2.gz IDIGTEWPUNJCQS-GWCFXTLKSA-N 0 1 395.668 3.228 20 0 GGADMN Cc1ncc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cn1 ZINC000504258843 567527014 /nfs/dbraw/zinc/52/70/14/567527014.db2.gz CAMPETBHZUYNBO-UHFFFAOYSA-N 0 1 380.626 3.141 20 0 GGADMN C[C@@H](CN1CCCC1=O)NCc1cc(Cl)ccc1I ZINC000594927154 567527118 /nfs/dbraw/zinc/52/71/18/567527118.db2.gz YMBJCFRXUGPLIF-JTQLQIEISA-N 0 1 392.668 3.045 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1nc(-c2cc(Br)cs2)no1 ZINC000570976457 567527347 /nfs/dbraw/zinc/52/73/47/567527347.db2.gz YMFDUDBCQIDWES-UHFFFAOYSA-N 0 1 388.287 3.493 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(OC)c1 ZINC000594960668 567528295 /nfs/dbraw/zinc/52/82/95/567528295.db2.gz JYCDOOPKANCFGF-GHIWOLQHSA-N 0 1 390.343 3.246 20 0 GGADMN O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1sc2cc(F)ccc2c1Cl ZINC000644073288 567529593 /nfs/dbraw/zinc/52/95/93/567529593.db2.gz QCNKZXMXPIOBHA-YUTCNCBUSA-N 0 1 382.888 3.411 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)N[C@H](CCO)c1ccccc1Br ZINC000504323175 567530076 /nfs/dbraw/zinc/53/00/76/567530076.db2.gz ZEERVASTKWYTAM-OAHLLOKOSA-N 0 1 388.265 3.108 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000458195585 567530217 /nfs/dbraw/zinc/53/02/17/567530217.db2.gz HRPDXXKECDTROM-ZDUSSCGKSA-N 0 1 384.318 3.083 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)CCCN1C ZINC000504307530 567530263 /nfs/dbraw/zinc/53/02/63/567530263.db2.gz RICZQCCZXOHKAU-CJNGLKHVSA-N 0 1 381.314 3.401 20 0 GGADMN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000594964037 567530585 /nfs/dbraw/zinc/53/05/85/567530585.db2.gz YXPGNXJEQPHZKV-IGMCBMAUSA-N 0 1 387.336 3.353 20 0 GGADMN C[C@@H](N[C@H](CO)CC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479392471 567530766 /nfs/dbraw/zinc/53/07/66/567530766.db2.gz LSUQYAIYCYCGOZ-ZJUUUORDSA-N 0 1 383.341 3.089 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)CCc1cccc(Br)c1 ZINC000644094138 567530809 /nfs/dbraw/zinc/53/08/09/567530809.db2.gz SLRNHYKIRAGOKN-INIZCTEOSA-N 0 1 377.282 3.207 20 0 GGADMN Clc1cnc(CN2CCC[C@@H](CN3CCOCC3)C2)c(Br)c1 ZINC000529558085 567530899 /nfs/dbraw/zinc/53/08/99/567530899.db2.gz RIQLGGCQHAOXSG-ZDUSSCGKSA-N 0 1 388.737 3.042 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)CCc1ccc(Br)cc1 ZINC000644090682 567530917 /nfs/dbraw/zinc/53/09/17/567530917.db2.gz FGEIFHYNNSHYOH-INIZCTEOSA-N 0 1 377.282 3.207 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)Cc1ccc(C)c(Br)c1 ZINC000644092846 567530962 /nfs/dbraw/zinc/53/09/62/567530962.db2.gz WCTUVGAHTIPNDD-INIZCTEOSA-N 0 1 377.282 3.125 20 0 GGADMN O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)N1CCc2ccccc21 ZINC000551717267 567531140 /nfs/dbraw/zinc/53/11/40/567531140.db2.gz GPAVNMAGDNZZPR-LJQANCHMSA-N 0 1 386.293 3.474 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000644091675 567531131 /nfs/dbraw/zinc/53/11/31/567531131.db2.gz ZRIGCYLSNSJKOS-IUODEOHRSA-N 0 1 393.281 3.041 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000644078862 567531145 /nfs/dbraw/zinc/53/11/45/567531145.db2.gz ROHMIMAABNUVEL-UHFFFAOYSA-N 0 1 381.763 3.046 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000644093196 567531355 /nfs/dbraw/zinc/53/13/55/567531355.db2.gz AAAAZWTYWAGEMY-WBMJQRKESA-N 0 1 393.281 3.041 20 0 GGADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)N1CCc2ccccc21 ZINC000551717266 567531485 /nfs/dbraw/zinc/53/14/85/567531485.db2.gz GPAVNMAGDNZZPR-IBGZPJMESA-N 0 1 386.293 3.474 20 0 GGADMN OC[C@@H](NCc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000571024980 567531731 /nfs/dbraw/zinc/53/17/31/567531731.db2.gz SZSCXACPBLHAPD-XJKSGUPXSA-N 0 1 397.338 3.450 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000644092670 567531603 /nfs/dbraw/zinc/53/16/03/567531603.db2.gz RISQTDZDPLSIOO-CMPLNLGQSA-N 0 1 383.311 3.439 20 0 GGADMN CC[C@H](N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000479402075 567532281 /nfs/dbraw/zinc/53/22/81/567532281.db2.gz KEMFQLPRSODTTM-IIMNLJJBSA-N 0 1 381.325 3.249 20 0 GGADMN CNC(=O)CCCN1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000571057964 567532530 /nfs/dbraw/zinc/53/25/30/567532530.db2.gz IRLWXRQFIMUMII-AWEZNQCLSA-N 0 1 393.285 3.162 20 0 GGADMN CC1(C)CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC[C@@H]1O ZINC000438477975 567532986 /nfs/dbraw/zinc/53/29/86/567532986.db2.gz KRSUFKQMFSGINY-LBPRGKRZSA-N 0 1 378.270 3.072 20 0 GGADMN COc1ccc([C@H](C)NC(=O)CN(C)[C@H]2CCSC2)cc1Br ZINC000479416518 567534686 /nfs/dbraw/zinc/53/46/86/567534686.db2.gz FMUJMGQLQMVTMA-AAEUAGOBSA-N 0 1 387.343 3.072 20 0 GGADMN CCN(CCNc1nnc2ccc(Br)cn21)CCC(F)(F)F ZINC000663841925 567535068 /nfs/dbraw/zinc/53/50/68/567535068.db2.gz SUTPQRUGGSKOGN-UHFFFAOYSA-N 0 1 380.212 3.178 20 0 GGADMN C[C@@H]1CN(C(=O)NCCCCc2ccc(Cl)s2)CCN1CC(C)(C)O ZINC000504440962 567535452 /nfs/dbraw/zinc/53/54/52/567535452.db2.gz GFYCRPZPECQCMU-CQSZACIVSA-N 0 1 387.977 3.211 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@@H](CO)CC1 ZINC000571082979 567535865 /nfs/dbraw/zinc/53/58/65/567535865.db2.gz XWDLQEDJAWGIAK-GFCCVEGCSA-N 0 1 378.270 3.074 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(F)c(Br)c2)C[C@H](C)O1 ZINC000438586199 567536008 /nfs/dbraw/zinc/53/60/08/567536008.db2.gz YRFJRRJLKZHHDW-RYUDHWBXSA-N 0 1 388.281 3.209 20 0 GGADMN FC(F)(F)c1cnc([C@@H]2CCCN(c3cc(Br)cnn3)C2)[nH]1 ZINC000663849637 567536401 /nfs/dbraw/zinc/53/64/01/567536401.db2.gz LMVWZXMIPAZFIT-MRVPVSSYSA-N 0 1 376.180 3.365 20 0 GGADMN NC1(c2noc(CCOc3ccccc3I)n2)CCCC1 ZINC000571083612 567536510 /nfs/dbraw/zinc/53/65/10/567536510.db2.gz RBHWBAFOKWHIEG-UHFFFAOYSA-N 0 1 399.232 3.024 20 0 GGADMN O=C(NCc1cccc(Cl)c1Cl)N1CCC[C@H](N2CCOCC2)CC1 ZINC000663859172 567536591 /nfs/dbraw/zinc/53/65/91/567536591.db2.gz QZXHTJRSMXYXRX-HNNXBMFYSA-N 0 1 386.323 3.390 20 0 GGADMN Brc1ccc(-c2n[nH]cc2CN2CCC[C@H](n3ccnn3)C2)s1 ZINC000529610995 567536705 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567537653 /nfs/dbraw/zinc/53/76/53/567537653.db2.gz OVSVOLBZPINZSD-AWEZNQCLSA-N 0 1 386.323 3.390 20 0 GGADMN CCSc1cc(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)ccn1 ZINC000479463965 567537708 /nfs/dbraw/zinc/53/77/08/567537708.db2.gz TXXFTTRZMYLSSN-CQSZACIVSA-N 0 1 379.551 3.309 20 0 GGADMN CCn1nccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504535775 567538409 /nfs/dbraw/zinc/53/84/09/567538409.db2.gz GMRSPARJBWGARK-UHFFFAOYSA-N 0 1 382.642 3.259 20 0 GGADMN OC[C@@H](Cc1ccccc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000479481621 567538633 /nfs/dbraw/zinc/53/86/33/567538633.db2.gz VYCWZXAKTANNOX-CQSZACIVSA-N 0 1 377.275 3.267 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(C)CCOCCO ZINC000504569439 567540109 /nfs/dbraw/zinc/54/01/09/567540109.db2.gz ZKPUVSXSEMGAOF-UHFFFAOYSA-N 0 1 396.329 3.199 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000438719573 567540620 /nfs/dbraw/zinc/54/06/20/567540620.db2.gz DAWGMHSSZLNPGS-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N=c1ccn(CCN(C)C)[nH]1 ZINC000438710462 567541005 /nfs/dbraw/zinc/54/10/05/567541005.db2.gz NAHFEBFWNZPNFI-GFCCVEGCSA-N 0 1 384.311 3.398 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)NCCN2CCCOCC2)ccc1Br ZINC000504605680 567541274 /nfs/dbraw/zinc/54/12/74/567541274.db2.gz JYYHYMOZLKDIAF-UHFFFAOYSA-N 0 1 397.357 3.165 20 0 GGADMN NC(=O)[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1cccc(Br)c1 ZINC000479524663 567541593 /nfs/dbraw/zinc/54/15/93/567541593.db2.gz SOFJNBLAULNMIN-CVEARBPZSA-N 0 1 381.314 3.447 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1)C(=O)OC ZINC000438742226 567541731 /nfs/dbraw/zinc/54/17/31/567541731.db2.gz WKYLDXNRKUSEGX-BDJLRTHQSA-N 0 1 387.307 3.276 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cs1 ZINC000438753768 567542120 /nfs/dbraw/zinc/54/21/20/567542120.db2.gz IYGPCKPNSDHZPW-UHFFFAOYSA-N 0 1 379.381 3.440 20 0 GGADMN CCc1nc(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)cs1 ZINC000458345153 567542427 /nfs/dbraw/zinc/54/24/27/567542427.db2.gz QYJQDWRMEFIBBZ-UHFFFAOYSA-N 0 1 394.298 3.344 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1)C(=O)OC ZINC000438742228 567542506 /nfs/dbraw/zinc/54/25/06/567542506.db2.gz WKYLDXNRKUSEGX-MEDUHNTESA-N 0 1 387.307 3.276 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000571160154 567542501 /nfs/dbraw/zinc/54/25/01/567542501.db2.gz RDKFQQDRCXGLNO-CQSZACIVSA-N 0 1 392.301 3.193 20 0 GGADMN COC(=O)C(C)(C)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000551919224 567543242 /nfs/dbraw/zinc/54/32/42/567543242.db2.gz QGLHFDQMWBRUAL-UHFFFAOYSA-N 0 1 398.282 3.095 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NCC1CCSCC1 ZINC000458382201 567543373 /nfs/dbraw/zinc/54/33/73/567543373.db2.gz XNTXDXVEUZIGFM-UHFFFAOYSA-N 0 1 383.315 3.268 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1Br ZINC000438769222 567544009 /nfs/dbraw/zinc/54/40/09/567544009.db2.gz WKIKKLXIRMVSHU-UHFFFAOYSA-N 0 1 388.287 3.111 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)CCc2cc(Cl)cs2)C1 ZINC000551936857 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O=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000571210056 567546347 /nfs/dbraw/zinc/54/63/47/567546347.db2.gz VZMUOZYMSANSGY-MBNYWOFBSA-N 0 1 388.689 3.038 20 0 GGADMN O=C(NCc1cnc[nH]1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000479587530 567546478 /nfs/dbraw/zinc/54/64/78/567546478.db2.gz FMDZCHPQCFDCAG-UHFFFAOYSA-N 0 1 376.247 3.321 20 0 GGADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc4ncsc4c3)cc2o1 ZINC000438794350 567546636 /nfs/dbraw/zinc/54/66/36/567546636.db2.gz UUHNFZMKVLIKON-UHFFFAOYSA-N 0 1 381.822 3.185 20 0 GGADMN O=S(=O)(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1c(Cl)cc(F)cc1Cl ZINC000644281791 567546735 /nfs/dbraw/zinc/54/67/35/567546735.db2.gz YGSHQRJOZNEYBN-WRWORJQWSA-N 0 1 396.189 3.257 20 0 GGADMN O=S(=O)(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1c(Cl)cc(F)cc1Cl ZINC000644281790 567546824 /nfs/dbraw/zinc/54/68/24/567546824.db2.gz YGSHQRJOZNEYBN-RDDDGLTNSA-N 0 1 396.189 3.257 20 0 GGADMN Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(Br)cn2)cc1F ZINC000571227387 567546930 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CCCCNC(=O)CCN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000438820762 567549097 /nfs/dbraw/zinc/54/90/97/567549097.db2.gz QSCJMIHNTAYTTE-MRXNPFEDSA-N 0 1 396.373 3.434 20 0 GGADMN Cc1nc(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)sc1C ZINC000458455661 567549183 /nfs/dbraw/zinc/54/91/83/567549183.db2.gz CDGXKIJJTHIJEL-UHFFFAOYSA-N 0 1 394.298 3.398 20 0 GGADMN COc1ccccc1CN(C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438839258 567550139 /nfs/dbraw/zinc/55/01/39/567550139.db2.gz UUNDCMFCDHVMHW-INIZCTEOSA-N 0 1 398.272 3.469 20 0 GGADMN CC(C)C[C@H](CCO)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458493422 567550228 /nfs/dbraw/zinc/55/02/28/567550228.db2.gz SXWNSHBLZJWLFI-LBPRGKRZSA-N 0 1 397.317 3.169 20 0 GGADMN CC[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CCOCC1 ZINC000458496148 567550387 /nfs/dbraw/zinc/55/03/87/567550387.db2.gz JEVIZPMZISZPBA-ZDUSSCGKSA-N 0 1 395.301 3.330 20 0 GGADMN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458516771 567551431 /nfs/dbraw/zinc/55/14/31/567551431.db2.gz 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LIEZGHWCOLRLRG-LLVKDONJSA-N 0 1 378.464 3.266 20 0 GGADMN CCN(CCNC(=O)N[C@@H](C)c1nc2c(s1)CCC2)CCC(F)(F)F ZINC000458696508 567566017 /nfs/dbraw/zinc/56/60/17/567566017.db2.gz LIEZGHWCOLRLRG-NSHDSACASA-N 0 1 378.464 3.266 20 0 GGADMN Cn1nc(CNC[C@H](O)COc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000644622669 567566256 /nfs/dbraw/zinc/56/62/56/567566256.db2.gz ICLOVBVBGURDIU-ZDUSSCGKSA-N 0 1 380.275 3.410 20 0 GGADMN Cn1nc(CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000644622728 567566500 /nfs/dbraw/zinc/56/65/00/567566500.db2.gz KYLQMSPVPFISAH-LBPRGKRZSA-N 0 1 380.275 3.410 20 0 GGADMN Brc1cccc2sc(N3CCN(C[C@@H]4CCCO4)CC3)nc21 ZINC000621245798 567567055 /nfs/dbraw/zinc/56/70/55/567567055.db2.gz XSMYRGRBFBGXRO-LBPRGKRZSA-N 0 1 382.327 3.360 20 0 GGADMN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CCN(C2CCOCC2)CC1 ZINC000479902810 567567415 /nfs/dbraw/zinc/56/74/15/567567415.db2.gz MEVGUKBBXREFNK-UHFFFAOYSA-N 0 1 382.291 3.412 20 0 GGADMN Cc1cccc2nc(NCc3cccc(S(=O)(=O)NC(C)C)c3)sc21 ZINC000479911362 567567721 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C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000439344718 567581475 /nfs/dbraw/zinc/58/14/75/567581475.db2.gz FOXRFCUMJGHLEB-SECBINFHSA-N 0 1 378.687 3.138 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000439344718 567581482 /nfs/dbraw/zinc/58/14/82/567581482.db2.gz FOXRFCUMJGHLEB-SECBINFHSA-N 0 1 378.687 3.138 20 0 GGADMN COc1cc(Br)c(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)cc1O ZINC000644838572 567582073 /nfs/dbraw/zinc/58/20/73/567582073.db2.gz RISXCQCMRSWFRQ-TVQRCGJNSA-N 0 1 384.192 3.099 20 0 GGADMN COc1cc(CCCNCc2ncc(Br)s2)cc(OC)c1O ZINC000621390765 567582760 /nfs/dbraw/zinc/58/27/60/567582760.db2.gz JYSPFFYRIFZZPS-UHFFFAOYSA-N 0 1 387.299 3.351 20 0 GGADMN CCc1nc(CNC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)n[nH]1 ZINC000458881495 567583111 /nfs/dbraw/zinc/58/31/11/567583111.db2.gz YTXPKBQWBISULR-UHFFFAOYSA-N 0 1 394.317 3.259 20 0 GGADMN CCN(CC(=O)NCc1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000644848928 567583708 /nfs/dbraw/zinc/58/37/08/567583708.db2.gz 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CC(C)c1nc(CNC(=O)N2CCc3cc(Br)cc(F)c3C2)n[nH]1 ZINC000458924326 567586949 /nfs/dbraw/zinc/58/69/49/567586949.db2.gz QDAPVFWLKYBHMZ-UHFFFAOYSA-N 0 1 396.264 3.098 20 0 GGADMN CCCC[C@H](COC)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480200563 567587250 /nfs/dbraw/zinc/58/72/50/567587250.db2.gz UTPKUVJOROCONH-UKRRQHHQSA-N 0 1 390.343 3.462 20 0 GGADMN O=S1(=O)CC[C@H](NC[C@@H]2CCCS2)c2cc(Br)ccc21 ZINC000480193916 567587349 /nfs/dbraw/zinc/58/73/49/567587349.db2.gz HUCFWBZBCSXUBT-AAEUAGOBSA-N 0 1 376.341 3.153 20 0 GGADMN CCC(CC)(CO)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480200216 567587395 /nfs/dbraw/zinc/58/73/95/567587395.db2.gz WJCVLYWADYMGIQ-AWEZNQCLSA-N 0 1 390.343 3.056 20 0 GGADMN Cc1ncsc1CN(C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439438922 567587659 /nfs/dbraw/zinc/58/76/59/567587659.db2.gz LVLFZOGBSKDLHH-ZDUSSCGKSA-N 0 1 389.290 3.225 20 0 GGADMN O=S1(=O)CC[C@@H](N[C@@H]2CCCSC2)c2cc(Br)ccc21 ZINC000480195569 567587761 /nfs/dbraw/zinc/58/77/61/567587761.db2.gz CGKJIBQWPLKUJV-DGCLKSJQSA-N 0 1 376.341 3.153 20 0 GGADMN COCC[C@H](NC(=O)[C@H](C)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000552395294 567587780 /nfs/dbraw/zinc/58/77/80/567587780.db2.gz DLBJEULKRKURMA-DYVFJYSZSA-N 0 1 389.323 3.156 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)cc(Cl)c1F ZINC000480212787 567588351 /nfs/dbraw/zinc/58/83/51/567588351.db2.gz ZITPVSKGNGJOHK-UHFFFAOYSA-N 0 1 379.743 3.345 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000458935547 567588471 /nfs/dbraw/zinc/58/84/71/567588471.db2.gz GEXLGPYWTOHJIH-UHFFFAOYSA-N 0 1 386.283 3.287 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1CCC[C@H](CO)CC1 ZINC000552423946 567588721 /nfs/dbraw/zinc/58/87/21/567588721.db2.gz AWLYOZFEQBMKDB-HNNXBMFYSA-N 0 1 386.330 3.459 20 0 GGADMN CSCCCN(C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000439471290 567589177 /nfs/dbraw/zinc/58/91/77/567589177.db2.gz FYMGDONGZYSHCE-LLVKDONJSA-N 0 1 392.306 3.303 20 0 GGADMN O=C(Cc1cc2c(cc1Br)OCCO2)Nc1ccc2nc[nH]c2c1 ZINC000439471932 567589245 /nfs/dbraw/zinc/58/92/45/567589245.db2.gz SGGGCXQQHSKLGW-UHFFFAOYSA-N 0 1 388.221 3.278 20 0 GGADMN COc1ccc(O)c(NS(=O)(=O)c2cc(Br)c(F)cc2C)c1 ZINC000480224132 567589877 /nfs/dbraw/zinc/58/98/77/567589877.db2.gz KXOXLHRIKKWDLW-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN Cc1ncsc1CCNC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000458958497 567590475 /nfs/dbraw/zinc/59/04/75/567590475.db2.gz AKCSCQUTFPNXEP-UHFFFAOYSA-N 0 1 378.464 3.052 20 0 GGADMN Cc1noc(C)c1CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240024 567591471 /nfs/dbraw/zinc/59/14/71/567591471.db2.gz GZKBTJUPRDHWSC-OAHLLOKOSA-N 0 1 399.310 3.105 20 0 GGADMN CC[C@H](C)[C@](C)(O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480260611 567592062 /nfs/dbraw/zinc/59/20/62/567592062.db2.gz JFMJFMMYNMYTDI-HZUKXOBISA-N 0 1 390.343 3.054 20 0 GGADMN CCOC(=O)c1sc(NC(=O)c2cc3c(s2)CCNC3)nc1C(C)C ZINC000595926726 567592601 /nfs/dbraw/zinc/59/26/01/567592601.db2.gz QFLAHLSSIPJZNK-UHFFFAOYSA-N 0 1 379.507 3.403 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439569184 567592622 /nfs/dbraw/zinc/59/26/22/567592622.db2.gz KNVWBSPHVIXKRK-UHFFFAOYSA-N 0 1 375.475 3.107 20 0 GGADMN Cc1cc(CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)n[nH]1 ZINC000644941769 567592929 /nfs/dbraw/zinc/59/29/29/567592929.db2.gz LEHHUCHLTMVWIG-AWEZNQCLSA-N 0 1 377.286 3.255 20 0 GGADMN CN(C)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(F)c1)Cc1ccccc1 ZINC000480274330 567593022 /nfs/dbraw/zinc/59/30/22/567593022.db2.gz NJKBDHCRNHXAFM-MRXNPFEDSA-N 0 1 384.904 3.071 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1C(=O)N(C)C ZINC000439564856 567593097 /nfs/dbraw/zinc/59/30/97/567593097.db2.gz AQTALYCMNIZZEZ-UHFFFAOYSA-N 0 1 375.475 3.107 20 0 GGADMN COC(=O)CSCc1cccc(NC(=O)c2cc3c(s2)CCNC3)c1 ZINC000595930409 567593186 /nfs/dbraw/zinc/59/31/86/567593186.db2.gz VZABCRHXMKJUHE-UHFFFAOYSA-N 0 1 376.503 3.052 20 0 GGADMN Cc1cc(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)n[nH]1 ZINC000644941770 567593280 /nfs/dbraw/zinc/59/32/80/567593280.db2.gz LEHHUCHLTMVWIG-CQSZACIVSA-N 0 1 377.286 3.255 20 0 GGADMN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)CCC1CCCCC1 ZINC000571852109 567594040 /nfs/dbraw/zinc/59/40/40/567594040.db2.gz ROMOAUHNONQFAS-UHFFFAOYSA-N 0 1 379.931 3.456 20 0 GGADMN NC(=O)[C@@H](NCC1Cc2ccccc2C1)c1ccc(Br)cc1F ZINC000439590471 567594115 /nfs/dbraw/zinc/59/41/15/567594115.db2.gz RRUOTPGGUUMHTM-KRWDZBQOSA-N 0 1 377.257 3.119 20 0 GGADMN COc1ccccc1[C@]1(C)C[C@H]1N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000439604588 567594186 /nfs/dbraw/zinc/59/41/86/567594186.db2.gz RKUATIRNJFRAHN-AOIWGVFYSA-N 0 1 389.293 3.304 20 0 GGADMN CN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000439592661 567594450 /nfs/dbraw/zinc/59/44/50/567594450.db2.gz FBTVPTAMLMHGRL-SNVBAGLBSA-N 0 1 390.698 3.280 20 0 GGADMN C[C@@H](NCc1c[nH]c2nccnc12)c1cc2c(cc1Br)OCCO2 ZINC000571847065 567594470 /nfs/dbraw/zinc/59/44/70/567594470.db2.gz NBANTEISTYCBBE-SNVBAGLBSA-N 0 1 389.253 3.294 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1cnc2ccsc2c1 ZINC000439573728 567594637 /nfs/dbraw/zinc/59/46/37/567594637.db2.gz UGBJSCWCOKCVKG-AWEZNQCLSA-N 0 1 376.459 3.265 20 0 GGADMN O=C(Nc1nc(C(F)(F)F)cs1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000621553974 567594755 /nfs/dbraw/zinc/59/47/55/567594755.db2.gz QYVNBPVRRIKHKJ-RQJHMYQMSA-N 0 1 378.294 3.084 20 0 GGADMN COc1ccccc1[C@]1(C)C[C@@H]1N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000439604590 567594939 /nfs/dbraw/zinc/59/49/39/567594939.db2.gz RKUATIRNJFRAHN-LNLFQRSKSA-N 0 1 389.293 3.304 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cnc2ccsc2c1 ZINC000439573730 567594977 /nfs/dbraw/zinc/59/49/77/567594977.db2.gz UGBJSCWCOKCVKG-CQSZACIVSA-N 0 1 376.459 3.265 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)n[nH]1 ZINC000459040422 567595094 /nfs/dbraw/zinc/59/50/94/567595094.db2.gz KKSYBCNJPHRBDV-JVXZTZIISA-N 0 1 382.237 3.062 20 0 GGADMN CN(C)C(=O)c1ccc(=N[C@@H]2c3cc(Br)ccc3CC2(C)C)[nH]n1 ZINC000571861582 567595309 /nfs/dbraw/zinc/59/53/09/567595309.db2.gz WYGNXDIHGWAKRO-MRXNPFEDSA-N 0 1 389.297 3.098 20 0 GGADMN CC(C)COCCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480326520 567597457 /nfs/dbraw/zinc/59/74/57/567597457.db2.gz LDWNGCJFHXACMR-HNNXBMFYSA-N 0 1 390.343 3.320 20 0 GGADMN COc1cc2nccc(N[C@@H]3CCO[C@@]4(CCOC4)C3)c2cc1Br ZINC000571910828 567597731 /nfs/dbraw/zinc/59/77/31/567597731.db2.gz BLDALCGWKGFNGQ-XIKOKIGWSA-N 0 1 393.281 3.178 20 0 GGADMN Cn1cc(Br)c(CN[C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000645000238 567598078 /nfs/dbraw/zinc/59/80/78/567598078.db2.gz DXQCLWJFPUXENG-GOSISDBHSA-N 0 1 377.330 3.499 20 0 GGADMN CC[C@H](NCCNS(=O)(=O)c1cccnc1)c1ccc(Cl)cc1Cl ZINC000552580186 567597951 /nfs/dbraw/zinc/59/79/51/567597951.db2.gz SNYILOZZVWRKCJ-INIZCTEOSA-N 0 1 388.320 3.408 20 0 GGADMN COc1cccc(CNCCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000480371961 567598487 /nfs/dbraw/zinc/59/84/87/567598487.db2.gz OLCKZFWPLMVWBY-UHFFFAOYSA-N 0 1 378.270 3.280 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(F)cc1)Oc1cccc(Br)c1 ZINC000439652587 567598776 /nfs/dbraw/zinc/59/87/76/567598776.db2.gz UFBUNLVWYRNHCT-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CN(CC)CCO ZINC000505858639 567599598 /nfs/dbraw/zinc/59/95/98/567599598.db2.gz HSTQLNZMJBFIGA-UHFFFAOYSA-N 0 1 381.108 3.425 20 0 GGADMN OCCN(Cc1ccccc1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000505868312 567600139 /nfs/dbraw/zinc/60/01/39/567600139.db2.gz MJHBOZNNFRSNMF-UHFFFAOYSA-N 0 1 378.266 3.215 20 0 GGADMN CC1(C)CCC[C@]1(O)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459132154 567600202 /nfs/dbraw/zinc/60/02/02/567600202.db2.gz HLCOEZCGKUINQJ-KRWDZBQOSA-N 0 1 395.301 3.066 20 0 GGADMN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000530413448 567600299 /nfs/dbraw/zinc/60/02/99/567600299.db2.gz IPGZEVKHEJGBOG-NVXWUHKLSA-N 0 1 379.291 3.499 20 0 GGADMN COC1CCC(C)(CNS(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000530425975 567601143 /nfs/dbraw/zinc/60/11/43/567601143.db2.gz PSNPFYKRONQRQP-UHFFFAOYSA-N 0 1 397.360 3.088 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC1(CCO)CCCCC1 ZINC000459139957 567601466 /nfs/dbraw/zinc/60/14/66/567601466.db2.gz BEKZDOYSMSDWFB-UHFFFAOYSA-N 0 1 395.301 3.210 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H](C)[C@H](C)O1 ZINC000459138632 567601490 /nfs/dbraw/zinc/60/14/90/567601490.db2.gz APNUSHRCTWNULF-VWYCJHECSA-N 0 1 381.274 3.033 20 0 GGADMN COC1CCC(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459153851 567602282 /nfs/dbraw/zinc/60/22/82/567602282.db2.gz XQGIBIXKNQPQMA-UHFFFAOYSA-N 0 1 381.274 3.082 20 0 GGADMN CC[C@@H](Cc1ccc(Cl)cc1Cl)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000552689886 567602478 /nfs/dbraw/zinc/60/24/78/567602478.db2.gz NDBMYNYOEUUTJX-ZFWWWQNUSA-N 0 1 381.263 3.201 20 0 GGADMN CC(C)O[C@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459150462 567603206 /nfs/dbraw/zinc/60/32/06/567603206.db2.gz VLBCVZAROLMCLK-PHIMTYICSA-N 0 1 381.274 3.081 20 0 GGADMN CO[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1(C)C ZINC000459157870 567603565 /nfs/dbraw/zinc/60/35/65/567603565.db2.gz ZYPOBYUPZBUGJT-CYBMUJFWSA-N 0 1 395.301 3.282 20 0 GGADMN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000530472420 567603570 /nfs/dbraw/zinc/60/35/70/567603570.db2.gz YPTKCWXMDNSMAX-UWVGGRQHSA-N 0 1 377.242 3.178 20 0 GGADMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000530472419 567603799 /nfs/dbraw/zinc/60/37/99/567603799.db2.gz YPTKCWXMDNSMAX-NXEZZACHSA-N 0 1 377.242 3.178 20 0 GGADMN CO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1(C)C ZINC000459157872 567603993 /nfs/dbraw/zinc/60/39/93/567603993.db2.gz ZYPOBYUPZBUGJT-ZDUSSCGKSA-N 0 1 395.301 3.282 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CC[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000664989212 567604743 /nfs/dbraw/zinc/60/47/43/567604743.db2.gz AZHNMFZSWMHFMH-ZDUSSCGKSA-N 0 1 378.274 3.347 20 0 GGADMN Cc1nccnc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000621714399 567605035 /nfs/dbraw/zinc/60/50/35/567605035.db2.gz MZXQNINFRYNTCE-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H](C)C(=O)N(C)C)cc1OCC ZINC000480448250 567606030 /nfs/dbraw/zinc/60/60/30/567606030.db2.gz VHNQYUNPFDUVNX-LBPRGKRZSA-N 0 1 387.318 3.203 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2cc(C)c(Br)s2)C1=O ZINC000480455571 567606056 /nfs/dbraw/zinc/60/60/56/567606056.db2.gz MLACKCVWKWVYJE-ZDUSSCGKSA-N 0 1 397.342 3.321 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2cc(C)c(Br)s2)C1=O ZINC000480455570 567606140 /nfs/dbraw/zinc/60/61/40/567606140.db2.gz MLACKCVWKWVYJE-CYBMUJFWSA-N 0 1 397.342 3.321 20 0 GGADMN CC1(C)Cc2cc(S(=O)(=O)Nc3ccc(Br)cn3)ccc2O1 ZINC000439887053 567606315 /nfs/dbraw/zinc/60/63/15/567606315.db2.gz ILFFRSVBJUXFSD-UHFFFAOYSA-N 0 1 383.267 3.358 20 0 GGADMN O=C(NCc1nc2ccc(Br)cc2o1)[C@H]1CCCc2[nH]cnc21 ZINC000572016346 567606377 /nfs/dbraw/zinc/60/63/77/567606377.db2.gz WCFJWHAKWWCGDC-JTQLQIEISA-N 0 1 375.226 3.050 20 0 GGADMN CC(C)(C)CN(CCCO)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459194771 567606414 /nfs/dbraw/zinc/60/64/14/567606414.db2.gz GDHNWTMNTIWFAV-UHFFFAOYSA-N 0 1 397.317 3.266 20 0 GGADMN CC(C)CC[C@@](C)(O)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459199825 567606441 /nfs/dbraw/zinc/60/64/41/567606441.db2.gz IHEZRUWEUWLKEV-QGZVFWFLSA-N 0 1 397.317 3.312 20 0 GGADMN COCC[C@@H](NC(=O)CSc1nnc(C)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000552743799 567606874 /nfs/dbraw/zinc/60/68/74/567606874.db2.gz UBNISHDQNOXTLY-CYBMUJFWSA-N 0 1 389.308 3.406 20 0 GGADMN COCC[C@@H](NC(=O)CSc1nc(C)n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000552743799 567606881 /nfs/dbraw/zinc/60/68/81/567606881.db2.gz UBNISHDQNOXTLY-CYBMUJFWSA-N 0 1 389.308 3.406 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccc(F)cc2)c(OC)c1 ZINC000480483259 567607264 /nfs/dbraw/zinc/60/72/64/567607264.db2.gz OOYADCBSNNGUOB-CQSZACIVSA-N 0 1 398.272 3.299 20 0 GGADMN O=C(NCc1nc2ccc(Br)cc2o1)[C@@H]1CCCc2[nH]cnc21 ZINC000572016347 567607437 /nfs/dbraw/zinc/60/74/37/567607437.db2.gz WCFJWHAKWWCGDC-SNVBAGLBSA-N 0 1 375.226 3.050 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530492358 567607507 /nfs/dbraw/zinc/60/75/07/567607507.db2.gz VKHSOPZURWOSDG-DYVFJYSZSA-N 0 1 397.338 3.151 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)Cc2c(Cl)cccc2Cl)C1 ZINC000480483946 567607672 /nfs/dbraw/zinc/60/76/72/567607672.db2.gz ODZCBBVHJCWCOI-AWEZNQCLSA-N 0 1 388.339 3.492 20 0 GGADMN CC(C)C[C@@H]1COCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459213920 567607842 /nfs/dbraw/zinc/60/78/42/567607842.db2.gz NOZAVAFTHUXASR-GFCCVEGCSA-N 0 1 395.301 3.282 20 0 GGADMN CC(C)C[C@H]1COCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459213921 567608184 /nfs/dbraw/zinc/60/81/84/567608184.db2.gz NOZAVAFTHUXASR-LBPRGKRZSA-N 0 1 395.301 3.282 20 0 GGADMN CCO[C@H]1C[C@](O)(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1(C)C ZINC000530510341 567608321 /nfs/dbraw/zinc/60/83/21/567608321.db2.gz UDRHWFSTWPGZEU-SJCJKPOMSA-N 0 1 383.901 3.088 20 0 GGADMN CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211294 567608295 /nfs/dbraw/zinc/60/82/95/567608295.db2.gz LWIOVHWTAAMHCE-WDEREUQCSA-N 0 1 381.274 3.034 20 0 GGADMN CO[C@@H](C)CN(C(=O)NCc1nc2cccc(Br)c2[nH]1)C(C)C ZINC000459221077 567608318 /nfs/dbraw/zinc/60/83/18/567608318.db2.gz TWEVEJADBPSUQB-NSHDSACASA-N 0 1 383.290 3.280 20 0 GGADMN CC[C@]1(CO)CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459214585 567608493 /nfs/dbraw/zinc/60/84/93/567608493.db2.gz NPNLWFXFQFLWJR-KRWDZBQOSA-N 0 1 395.301 3.020 20 0 GGADMN CO[C@@]1(C)CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459211611 567608575 /nfs/dbraw/zinc/60/85/75/567608575.db2.gz MAGZRGFPMXJLGW-INIZCTEOSA-N 0 1 381.274 3.036 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[nH]1 ZINC000552760063 567608723 /nfs/dbraw/zinc/60/87/23/567608723.db2.gz MMNRMCDDWWCEQC-UHFFFAOYSA-N 0 1 385.465 3.021 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)n1 ZINC000552760063 567608733 /nfs/dbraw/zinc/60/87/33/567608733.db2.gz MMNRMCDDWWCEQC-UHFFFAOYSA-N 0 1 385.465 3.021 20 0 GGADMN O=C(NCCNCc1cccc(O)c1Cl)c1ccc(Br)cc1 ZINC000645150412 567608980 /nfs/dbraw/zinc/60/89/80/567608980.db2.gz UNNJBVFIYOOWFL-UHFFFAOYSA-N 0 1 383.673 3.328 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H](CO)CC1CCCC1 ZINC000459222453 567609001 /nfs/dbraw/zinc/60/90/01/567609001.db2.gz VFTRNHBPTRRLHE-GFCCVEGCSA-N 0 1 395.301 3.066 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC2(C1)CCOCC2 ZINC000459224598 567609613 /nfs/dbraw/zinc/60/96/13/567609613.db2.gz WWIZTLSRPWUEAX-UHFFFAOYSA-N 0 1 393.285 3.038 20 0 GGADMN O=C(c1cc(Cl)c(F)cc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000645176778 567609919 /nfs/dbraw/zinc/60/99/19/567609919.db2.gz CJIHYCKAZDKHJD-GFCCVEGCSA-N 0 1 375.271 3.459 20 0 GGADMN Oc1cccc(CNC[C@H](O)COc2ccccc2Br)c1Cl ZINC000645163856 567610567 /nfs/dbraw/zinc/61/05/67/567610567.db2.gz DUUUCTQGPLCOIP-LBPRGKRZSA-N 0 1 386.673 3.338 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)NCCc1ccc(Cl)s1)N1CCOCC1 ZINC000506120218 567610771 /nfs/dbraw/zinc/61/07/71/567610771.db2.gz SNDRXYPMAWYMMM-MRXNPFEDSA-N 0 1 387.977 3.380 20 0 GGADMN C[C@H](NCC(=O)NCC(=O)c1cccs1)c1ccc(F)c(Br)c1 ZINC000645197002 567611252 /nfs/dbraw/zinc/61/12/52/567611252.db2.gz VYPLUSRVMSFYNT-JTQLQIEISA-N 0 1 399.285 3.299 20 0 GGADMN CN(Cc1ccc(F)cc1Br)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459265909 567611275 /nfs/dbraw/zinc/61/12/75/567611275.db2.gz RAFBKHAYYQXSOI-UHFFFAOYSA-N 0 1 398.280 3.345 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CN[C@H](C)c1ccc(F)c(Br)c1 ZINC000645193175 567611414 /nfs/dbraw/zinc/61/14/14/567611414.db2.gz BAVHKAOJQXAJNH-SECBINFHSA-N 0 1 383.265 3.228 20 0 GGADMN CCOCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000645196513 567612068 /nfs/dbraw/zinc/61/20/68/567612068.db2.gz OGPLBPYAJNVLFY-NWDGAFQWSA-N 0 1 375.282 3.170 20 0 GGADMN Cc1cc(C)nc(SCC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000530589616 567612772 /nfs/dbraw/zinc/61/27/72/567612772.db2.gz ZOGGDOHAMYTRBM-MRXNPFEDSA-N 0 1 378.929 3.258 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000530589502 567613136 /nfs/dbraw/zinc/61/31/36/567613136.db2.gz WTPWFSDRYODQQO-INIZCTEOSA-N 0 1 380.275 3.351 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3ccc(I)cc3)C2)cn1 ZINC000530627507 567614320 /nfs/dbraw/zinc/61/43/20/567614320.db2.gz JZSCJQOHGSRDPV-CQSZACIVSA-N 0 1 381.261 3.089 20 0 GGADMN C[C@H]1C[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)c2nccn21 ZINC000572110149 567614626 /nfs/dbraw/zinc/61/46/26/567614626.db2.gz JEAFYRNCXHITGK-XJKSGUPXSA-N 0 1 391.313 3.290 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c(Br)c1 ZINC000440076523 567615670 /nfs/dbraw/zinc/61/56/70/567615670.db2.gz JDXZPVIFVMBUGV-ZIAGYGMSSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1nc2ccccn2c1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000530647182 567615990 /nfs/dbraw/zinc/61/59/90/567615990.db2.gz CRHBKAMHCVWACB-UHFFFAOYSA-N 0 1 388.265 3.466 20 0 GGADMN CCSc1cccc(Br)c1NS(=O)(=O)c1cn(C)cn1 ZINC000572129432 567615991 /nfs/dbraw/zinc/61/59/91/567615991.db2.gz GYMZRECPAFXPTF-UHFFFAOYSA-N 0 1 376.301 3.095 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2cnn(C)c2)C1=O ZINC000506207909 567616147 /nfs/dbraw/zinc/61/61/47/567616147.db2.gz YZVLSTPKJJRHML-INIZCTEOSA-N 0 1 391.313 3.085 20 0 GGADMN O=C(Nc1nnc(-c2ccsc2)s1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000621854030 567616444 /nfs/dbraw/zinc/61/64/44/567616444.db2.gz GXQODYPOQGBGMZ-ZJUUUORDSA-N 0 1 393.412 3.189 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2cc(Br)c3ccccc3c2)C1 ZINC000645325068 567617325 /nfs/dbraw/zinc/61/73/25/567617325.db2.gz NEUBCNUNOQCQAP-INIZCTEOSA-N 0 1 391.309 3.443 20 0 GGADMN Cc1nc(NC(=O)c2c[nH]nc2C(C)(C)C)ccc1I ZINC000552929817 567617834 /nfs/dbraw/zinc/61/78/34/567617834.db2.gz ASSHSEDTKSASEB-UHFFFAOYSA-N 0 1 384.221 3.268 20 0 GGADMN Cc1ccc([C@@H](CNCc2cccc(O)c2Br)N2CCOCC2)o1 ZINC000459365305 567618168 /nfs/dbraw/zinc/61/81/68/567618168.db2.gz ACWQKGHWAPIPMG-OAHLLOKOSA-N 0 1 395.297 3.219 20 0 GGADMN Cc1ccc([C@H](CNCc2cccc(O)c2Br)N2CCOCC2)o1 ZINC000459365304 567618694 /nfs/dbraw/zinc/61/86/94/567618694.db2.gz ACWQKGHWAPIPMG-HNNXBMFYSA-N 0 1 395.297 3.219 20 0 GGADMN O=C(c1ccoc1)N1CCC([NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000459373685 567619175 /nfs/dbraw/zinc/61/91/75/567619175.db2.gz WAKXIVUTVFHYGT-UHFFFAOYSA-N 0 1 379.254 3.142 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1ccc(Cl)cc1 ZINC000621896707 567619601 /nfs/dbraw/zinc/61/96/01/567619601.db2.gz CROJFMUKRKHLFQ-CQSZACIVSA-N 0 1 398.688 3.236 20 0 GGADMN O=C(NCc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000665344552 567619567 /nfs/dbraw/zinc/61/95/67/567619567.db2.gz NDHJPDKHYFXODD-QGZVFWFLSA-N 0 1 386.323 3.390 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C(N)=O)s1)c1ccc(Cl)cc1 ZINC000553021257 567620585 /nfs/dbraw/zinc/62/05/85/567620585.db2.gz XAYFOEPAHZQEFD-AWEZNQCLSA-N 0 1 379.913 3.313 20 0 GGADMN CC(=C(O)Nc1nc(-c2cccc(Cl)c2)ns1)c1c(C)nn(C)c1C ZINC000621916838 567621051 /nfs/dbraw/zinc/62/10/51/567621051.db2.gz ZKYOSECITWVLHG-VIFPVBQESA-N 0 1 375.885 3.373 20 0 GGADMN COCCC[C@H](CNC(=O)CN(C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000553029156 567621577 /nfs/dbraw/zinc/62/15/77/567621577.db2.gz XOTQPUPTRRONFF-AEFFLSMTSA-N 0 1 384.973 3.404 20 0 GGADMN Oc1cccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1Br ZINC000459406381 567621656 /nfs/dbraw/zinc/62/16/56/567621656.db2.gz CYDQHUFONWZBBN-BBRMVZONSA-N 0 1 386.236 3.482 20 0 GGADMN O=C(C1CCC1)N(CCC[NH2+]Cc1cccc([O-])c1Br)C1CC1 ZINC000459414015 567621826 /nfs/dbraw/zinc/62/18/26/567621826.db2.gz NZPKNEVREVHIPG-UHFFFAOYSA-N 0 1 381.314 3.426 20 0 GGADMN COc1ccc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1Br ZINC000459412449 567621856 /nfs/dbraw/zinc/62/18/56/567621856.db2.gz VRGBJUIYODZIGT-UHFFFAOYSA-N 0 1 382.262 3.195 20 0 GGADMN COC(=O)CCC1CCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000530764222 567621814 /nfs/dbraw/zinc/62/18/14/567621814.db2.gz VHRNZHOWQWRZPT-UHFFFAOYSA-N 0 1 397.313 3.361 20 0 GGADMN CCc1cc(N2CCC[C@@H](NCc3cccc(O)c3Br)C2)ncn1 ZINC000459409168 567621880 /nfs/dbraw/zinc/62/18/80/567621880.db2.gz XUZDLVGOUUYJSL-OAHLLOKOSA-N 0 1 391.313 3.266 20 0 GGADMN COC(=O)c1cc(CNCc2cc(Br)ccc2OC(F)F)c[nH]1 ZINC000530763926 567621913 /nfs/dbraw/zinc/62/19/13/567621913.db2.gz KZBKWGVLJMLNBT-UHFFFAOYSA-N 0 1 389.196 3.455 20 0 GGADMN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1Br ZINC000480702798 567622840 /nfs/dbraw/zinc/62/28/40/567622840.db2.gz XLZLBRDUAGXQPE-LLVKDONJSA-N 0 1 398.276 3.103 20 0 GGADMN CN1CCN(C(=O)Cc2n[nH]c3ccccc32)c2ccc(Br)cc21 ZINC000553065853 567622952 /nfs/dbraw/zinc/62/29/52/567622952.db2.gz XTNTWFCPMFNNME-UHFFFAOYSA-N 0 1 385.265 3.351 20 0 GGADMN COc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc(Br)c1OC ZINC000572225598 567623134 /nfs/dbraw/zinc/62/31/34/567623134.db2.gz WWQPSPKOPWBIBJ-UHFFFAOYSA-N 0 1 393.197 3.097 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cc4c(cc3Br)OCO4)CC2)n[nH]1 ZINC000621941614 567623147 /nfs/dbraw/zinc/62/31/47/567623147.db2.gz VZSBFODUHJTBIB-UHFFFAOYSA-N 0 1 392.253 3.229 20 0 GGADMN O=C1COc2ccccc2N1CCC[NH2+]Cc1cccc([O-])c1Br ZINC000459435184 567623566 /nfs/dbraw/zinc/62/35/66/567623566.db2.gz WRKDNRNRRIHVIY-UHFFFAOYSA-N 0 1 391.265 3.060 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cncc(Br)c2)N2CCCC2)o1 ZINC000506384894 567623908 /nfs/dbraw/zinc/62/39/08/567623908.db2.gz ODZMUQBZERCWFA-HNNXBMFYSA-N 0 1 378.270 3.312 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OC)cc2Br)[C@H]1SC ZINC000459434866 567624486 /nfs/dbraw/zinc/62/44/86/567624486.db2.gz VDSUWJPTXLREPD-APHBMKBZSA-N 0 1 390.343 3.465 20 0 GGADMN O=C1C[C@H](C[NH2+]Cc2cccc([O-])c2Br)CN1Cc1ccccc1 ZINC000459447035 567625206 /nfs/dbraw/zinc/62/52/06/567625206.db2.gz FRELTZXBMQAKRQ-OAHLLOKOSA-N 0 1 389.293 3.293 20 0 GGADMN Cc1c([C@@H](C)N[C@@H]2CCCC[C@H]2O)nnn1-c1cccc(Br)c1 ZINC000480745186 567625950 /nfs/dbraw/zinc/62/59/50/567625950.db2.gz BIYZKQMSQXYKSJ-HFBAOOFYSA-N 0 1 379.302 3.292 20 0 GGADMN CN(C)[C@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(Cl)cc1 ZINC000530828458 567626598 /nfs/dbraw/zinc/62/65/98/567626598.db2.gz DWDODLCEBZRRBW-CQSZACIVSA-N 0 1 398.688 3.236 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(Cl)cc1 ZINC000530828457 567626735 /nfs/dbraw/zinc/62/67/35/567626735.db2.gz DWDODLCEBZRRBW-AWEZNQCLSA-N 0 1 398.688 3.236 20 0 GGADMN CSC[C@H](O)CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000572274613 567626971 /nfs/dbraw/zinc/62/69/71/567626971.db2.gz INKKDLKJJIHISM-SJLPKXTDSA-N 0 1 399.965 3.146 20 0 GGADMN CN(C)[C@]1(CNS(=O)(=O)c2c(Cl)ccc3ccccc32)CCSC1 ZINC000440418228 567626990 /nfs/dbraw/zinc/62/69/90/567626990.db2.gz SPQKFEJXTTYJAA-KRWDZBQOSA-N 0 1 384.954 3.209 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000480750364 567627480 /nfs/dbraw/zinc/62/74/80/567627480.db2.gz NXIXSYMCIFFAAV-ZUZCIYMTSA-N 0 1 378.307 3.452 20 0 GGADMN OC[C@]1(NCCOc2ccc(Br)cc2)CCOc2ccccc21 ZINC000440452133 567627873 /nfs/dbraw/zinc/62/78/73/567627873.db2.gz AWUQNUWYZFXJSM-GOSISDBHSA-N 0 1 378.266 3.088 20 0 GGADMN OC[C@]1(NCCOc2cccc(Br)c2)CCOc2ccccc21 ZINC000440457208 567628202 /nfs/dbraw/zinc/62/82/02/567628202.db2.gz DKYOWORPOGRGCH-GOSISDBHSA-N 0 1 378.266 3.088 20 0 GGADMN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000440440183 567628238 /nfs/dbraw/zinc/62/82/38/567628238.db2.gz HMYPLHHHAYLLPJ-LLVKDONJSA-N 0 1 389.768 3.206 20 0 GGADMN CC(C)C[C@@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000440440185 567628731 /nfs/dbraw/zinc/62/87/31/567628731.db2.gz HMYPLHHHAYLLPJ-NSHDSACASA-N 0 1 389.768 3.206 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530866263 567628641 /nfs/dbraw/zinc/62/86/41/567628641.db2.gz DVFLLTJGDFZJDK-UONOGXRCSA-N 0 1 391.313 3.074 20 0 GGADMN OC[C@@]1(NCCOc2ccccc2Br)CCOc2ccccc21 ZINC000440465238 567629133 /nfs/dbraw/zinc/62/91/33/567629133.db2.gz NUTQESVUWZQCPD-SFHVURJKSA-N 0 1 378.266 3.088 20 0 GGADMN COc1ccc(C(=O)NCCN(C)Cc2ccc(F)cc2)c(Br)c1 ZINC000530893676 567629322 /nfs/dbraw/zinc/62/93/22/567629322.db2.gz DDOQYCPXAQRNDC-UHFFFAOYSA-N 0 1 395.272 3.459 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn3cc(Br)cc(C)c3n2)[C@H]1SC ZINC000459493994 567629683 /nfs/dbraw/zinc/62/96/83/567629683.db2.gz ZRVLLPCQTREZOY-RRFJBIMHSA-N 0 1 384.343 3.404 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H]2CCCN(C)C2=O)cc1OCC ZINC000530883391 567629752 /nfs/dbraw/zinc/62/97/52/567629752.db2.gz UETSPDVUJVABOQ-OAHLLOKOSA-N 0 1 399.329 3.347 20 0 GGADMN OC[C@@]1(NCCOc2cc(F)cc(Br)c2)CCOc2ccccc21 ZINC000440466397 567629742 /nfs/dbraw/zinc/62/97/42/567629742.db2.gz PKIKBOQVRILPJL-SFHVURJKSA-N 0 1 396.256 3.227 20 0 GGADMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccsc1 ZINC000506554580 567631265 /nfs/dbraw/zinc/63/12/65/567631265.db2.gz JNVNUWZHGYNWSG-UHFFFAOYSA-N 0 1 392.424 3.404 20 0 GGADMN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000506554318 567631711 /nfs/dbraw/zinc/63/17/11/567631711.db2.gz ILDKXAMSPSTRTJ-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3occc3Br)cc2)CC1 ZINC000530954178 567632525 /nfs/dbraw/zinc/63/25/25/567632525.db2.gz ZGRCFDOEBADCIA-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN Brc1cccc(C2CC(NCc3nnnn3-c3ccccc3)C2)c1 ZINC000572342606 567632769 /nfs/dbraw/zinc/63/27/69/567632769.db2.gz XGWVUKSGRGNQLG-UHFFFAOYSA-N 0 1 384.281 3.461 20 0 GGADMN COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000506594190 567632725 /nfs/dbraw/zinc/63/27/25/567632725.db2.gz LJMMALJAGQHANY-UHFFFAOYSA-N 0 1 386.267 3.405 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000572364915 567633655 /nfs/dbraw/zinc/63/36/55/567633655.db2.gz 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O=C(NCCCc1nc[nH]n1)NCCSCc1ccc(Cl)cc1Cl ZINC000596533961 567638925 /nfs/dbraw/zinc/63/89/25/567638925.db2.gz SVFQWNSBGBBQEK-UHFFFAOYSA-N 0 1 388.324 3.277 20 0 GGADMN CC(C)C[C@H](CNc1c(Br)cccc1S(C)(=O)=O)N(C)C ZINC000553249562 567639198 /nfs/dbraw/zinc/63/91/98/567639198.db2.gz OORBCFISCAJDLH-GFCCVEGCSA-N 0 1 377.348 3.241 20 0 GGADMN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2OC)c1 ZINC000506722167 567639875 /nfs/dbraw/zinc/63/98/75/567639875.db2.gz PCZXJUMQNFELLA-UHFFFAOYSA-N 0 1 383.853 3.255 20 0 GGADMN Cn1cc(C[C@H]2CCN(CC[S@](=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000531104560 567640066 /nfs/dbraw/zinc/64/00/66/567640066.db2.gz JGDAWEXSEKELIZ-OZAJXLCCSA-N 0 1 386.348 3.399 20 0 GGADMN COc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000665835301 567640663 /nfs/dbraw/zinc/64/06/63/567640663.db2.gz PUIFZFSTUXVSBH-QMMMGPOBSA-N 0 1 385.649 3.288 20 0 GGADMN CC[C@](C)(NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1nccs1 ZINC000440704035 567640838 /nfs/dbraw/zinc/64/08/38/567640838.db2.gz UIZACOVURNIYJX-KRWDZBQOSA-N 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COCc1nc(C)c(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)s1 ZINC000622676326 567653502 /nfs/dbraw/zinc/65/35/02/567653502.db2.gz WQIMRJCGRZWSHL-UHFFFAOYSA-N 0 1 379.448 3.087 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1COc2ccc(Br)cc21 ZINC000507021744 567654134 /nfs/dbraw/zinc/65/41/34/567654134.db2.gz KNCIXFFCDVHLQP-MRVPVSSYSA-N 0 1 376.132 3.306 20 0 GGADMN OCC1(NCc2ncc(-c3cccc(Br)c3)o2)CCSCC1 ZINC000459721403 567654520 /nfs/dbraw/zinc/65/45/20/567654520.db2.gz YGPZSDNFMIWVSY-UHFFFAOYSA-N 0 1 383.311 3.452 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cncc(Cl)c1 ZINC000507012385 567654840 /nfs/dbraw/zinc/65/48/40/567654840.db2.gz JUSDBKPTLIPAIG-IRXDYDNUSA-N 0 1 382.869 3.218 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H]2COC[C@@H]2OC)cc1OCC ZINC000459747683 567656240 /nfs/dbraw/zinc/65/62/40/567656240.db2.gz CVHGOTVXSPOBKI-ZBFHGGJFSA-N 0 1 388.302 3.140 20 0 GGADMN CN(C)[C@H](CNC(=O)c1nn(C(C)(C)C)cc1Br)c1ccsc1 ZINC000666153536 567656818 /nfs/dbraw/zinc/65/68/18/567656818.db2.gz 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567657975 /nfs/dbraw/zinc/65/79/75/567657975.db2.gz PFCXXDZOERYZNC-UHFFFAOYSA-N 0 1 379.787 3.287 20 0 GGADMN COc1ccc([C@H](CO)CNCc2cc(O)c(OC)cc2Br)cc1 ZINC000459759767 567658182 /nfs/dbraw/zinc/65/81/82/567658182.db2.gz TYWZWAGVLZPBDY-AWEZNQCLSA-N 0 1 396.281 3.038 20 0 GGADMN O=C(NCC(F)(F)F)C1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000531429081 567658309 /nfs/dbraw/zinc/65/83/09/567658309.db2.gz HHGDZOVJKVJBID-UHFFFAOYSA-N 0 1 399.196 3.230 20 0 GGADMN CCN(CCNC(=O)[C@H](C)[C@@H]1OCCc2sccc21)CCC(F)(F)F ZINC000507094976 567658917 /nfs/dbraw/zinc/65/89/17/567658917.db2.gz WZWPXTNXSNHHBI-DOMZBBRYSA-N 0 1 378.460 3.389 20 0 GGADMN C[C@@H](O)CN(CC(=O)NCc1cccs1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441252227 567659605 /nfs/dbraw/zinc/65/96/05/567659605.db2.gz AIJHOLZQSRZJSB-LSDHHAIUSA-N 0 1 380.941 3.332 20 0 GGADMN Cc1csc(NC(=O)CN(C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000441272166 567659694 /nfs/dbraw/zinc/65/96/94/567659694.db2.gz SZXBRKIAFMGHCX-ZIAGYGMSSA-N 0 1 381.929 3.357 20 0 GGADMN CC(C)(C)Oc1ccc(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000666234786 567660134 /nfs/dbraw/zinc/66/01/34/567660134.db2.gz INLXTOQQTNPYGI-UHFFFAOYSA-N 0 1 382.913 3.455 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1OCC ZINC000441330683 567660788 /nfs/dbraw/zinc/66/07/88/567660788.db2.gz FXVSEHYDKPWGEB-LRDDRELGSA-N 0 1 399.329 3.251 20 0 GGADMN OCCN1CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000531494074 567662474 /nfs/dbraw/zinc/66/24/74/567662474.db2.gz LFPIKTUIIMCXAA-UHFFFAOYSA-N 0 1 381.339 3.288 20 0 GGADMN O=S1(=O)CCC[C@@H](NCc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000531495409 567662665 /nfs/dbraw/zinc/66/26/65/567662665.db2.gz XNLRPCMGRMOXBD-CQSZACIVSA-N 0 1 384.295 3.376 20 0 GGADMN OC[C@]1(NCc2cnc3ccc(Br)cn23)CCCc2ccccc21 ZINC000441345784 567663144 /nfs/dbraw/zinc/66/31/44/567663144.db2.gz HURNGWJKJBTFMV-LJQANCHMSA-N 0 1 386.293 3.411 20 0 GGADMN O=C(CN[C@H]1CCCC[C@H]1C(F)(F)F)Nc1ccc(Br)cn1 ZINC000572758701 567663030 /nfs/dbraw/zinc/66/30/30/567663030.db2.gz UDEQCCBYLHJWJT-MNOVXSKESA-N 0 1 380.208 3.493 20 0 GGADMN CC[C@H](Cc1ccccc1Br)NC(=O)c1conc1C(C)(C)N ZINC000572780536 567664961 /nfs/dbraw/zinc/66/49/61/567664961.db2.gz NNNJNQIAUUOGRY-GFCCVEGCSA-N 0 1 380.286 3.382 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CCCN2C)n1C ZINC000572787478 567665364 /nfs/dbraw/zinc/66/53/64/567665364.db2.gz DPWWPSHEWOGTFQ-CQSZACIVSA-N 0 1 377.286 3.191 20 0 GGADMN O=C(NCCc1nnc(-c2ccccc2)o1)c1cccc(Br)c1O ZINC000531560693 567665367 /nfs/dbraw/zinc/66/53/67/567665367.db2.gz XKADGUWDKPAFCY-UHFFFAOYSA-N 0 1 388.221 3.177 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000531580924 567667150 /nfs/dbraw/zinc/66/71/50/567667150.db2.gz AGXCTKJOSNOORT-JSGCOSHPSA-N 0 1 378.266 3.439 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441538678 567668267 /nfs/dbraw/zinc/66/82/67/567668267.db2.gz WIZKIGHGSNOJJM-AWEZNQCLSA-N 0 1 380.857 3.347 20 0 GGADMN O=S(=O)(N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)N1CCCCCC1 ZINC000441535899 567668946 /nfs/dbraw/zinc/66/89/46/567668946.db2.gz VUBCOEZZUOPRHM-MRXNPFEDSA-N 0 1 382.917 3.474 20 0 GGADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000531652025 567671594 /nfs/dbraw/zinc/67/15/94/567671594.db2.gz PEFKFRPLPGYNIM-PBHICJAKSA-N 0 1 397.361 3.320 20 0 GGADMN COc1ccc(COC[C@H](O)CNCc2ccsc2Br)cc1 ZINC000572870977 567671633 /nfs/dbraw/zinc/67/16/33/567671633.db2.gz PNXABOBMMVGXQP-CQSZACIVSA-N 0 1 386.311 3.187 20 0 GGADMN Cc1nc([C@H](C)NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)n[nH]1 ZINC000553636605 567672150 /nfs/dbraw/zinc/67/21/50/567672150.db2.gz XROVRGWDVDFFIL-QMMMGPOBSA-N 0 1 376.511 3.013 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2C1 ZINC000572887202 567672454 /nfs/dbraw/zinc/67/24/54/567672454.db2.gz LHIZLXMLIFBTPT-TVQRCGJNSA-N 0 1 390.698 3.138 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)c1Cl ZINC000481341596 567672861 /nfs/dbraw/zinc/67/28/61/567672861.db2.gz OZFPYFOQTGKNRW-CQSZACIVSA-N 0 1 383.366 3.017 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@@H]2C1 ZINC000572887197 567672872 /nfs/dbraw/zinc/67/28/72/567672872.db2.gz LHIZLXMLIFBTPT-NOZJJQNGSA-N 0 1 390.698 3.138 20 0 GGADMN CCNC(=O)c1cccc(CNCc2cccc(I)c2)c1 ZINC000572885520 567672942 /nfs/dbraw/zinc/67/29/42/567672942.db2.gz DNIQEIXZOXSOOZ-UHFFFAOYSA-N 0 1 394.256 3.331 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2cc(F)cc(Cl)c2)C1 ZINC000572878117 567673131 /nfs/dbraw/zinc/67/31/31/567673131.db2.gz PUQQUVGIPYHORX-OAHLLOKOSA-N 0 1 388.917 3.484 20 0 GGADMN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000507288516 567673617 /nfs/dbraw/zinc/67/36/17/567673617.db2.gz FGTSNFOPJINKJU-LLVKDONJSA-N 0 1 395.388 3.299 20 0 GGADMN COc1ccc([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)c(F)c1 ZINC000531696869 567674176 /nfs/dbraw/zinc/67/41/76/567674176.db2.gz KRGAGIDWZZGHPG-GFCCVEGCSA-N 0 1 386.876 3.117 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccccc1)c1ccccc1I ZINC000531687784 567674198 /nfs/dbraw/zinc/67/41/98/567674198.db2.gz MMFFTIZTBXPJET-ZIAGYGMSSA-N 0 1 397.256 3.382 20 0 GGADMN Cc1ncc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cn1 ZINC000507291718 567674515 /nfs/dbraw/zinc/67/45/15/567674515.db2.gz JLDAZPYOCLKHCO-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CCOc1ccccc1[C@@H](C)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000531696633 567674573 /nfs/dbraw/zinc/67/45/73/567674573.db2.gz FGUVKOADAHEEMD-CQSZACIVSA-N 0 1 382.913 3.368 20 0 GGADMN COc1cc(C)ccc1[C@@H](C)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000531697245 567674692 /nfs/dbraw/zinc/67/46/92/567674692.db2.gz VHTJMIIJUAKVJM-CQSZACIVSA-N 0 1 382.913 3.286 20 0 GGADMN Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)c(F)c1 ZINC000460138778 567675105 /nfs/dbraw/zinc/67/51/05/567675105.db2.gz YDNRGTCGVIWMCV-UHFFFAOYSA-N 0 1 387.845 3.378 20 0 GGADMN CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cccc(Br)c1O ZINC000553695890 567676247 /nfs/dbraw/zinc/67/62/47/567676247.db2.gz IFHWBPSGXYFGHQ-UHFFFAOYSA-N 0 1 397.313 3.408 20 0 GGADMN Cc1ccc2ncc(CNCC(=O)Nc3ccc(Br)cc3C)n2c1 ZINC000553710103 567678326 /nfs/dbraw/zinc/67/83/26/567678326.db2.gz XVVNLJFRCZQRCN-UHFFFAOYSA-N 0 1 387.281 3.442 20 0 GGADMN CO[C@H](C)CS(=O)(=O)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC000572985832 567679064 /nfs/dbraw/zinc/67/90/64/567679064.db2.gz RULKWBJFWAKZPY-MRVPVSSYSA-N 0 1 393.690 3.427 20 0 GGADMN COc1cc(C(C)=O)ccc1SCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000441949849 567678996 /nfs/dbraw/zinc/67/89/96/567678996.db2.gz NQSMFGOJRSYCIU-UHFFFAOYSA-N 0 1 376.459 3.012 20 0 GGADMN CO[C@@H](C)CS(=O)(=O)Nc1ccc2c(Br)ccc(Cl)c2n1 ZINC000572985833 567679290 /nfs/dbraw/zinc/67/92/90/567679290.db2.gz RULKWBJFWAKZPY-QMMMGPOBSA-N 0 1 393.690 3.427 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CCS[C@@H]2C)CC1 ZINC000645909890 567679407 /nfs/dbraw/zinc/67/94/07/567679407.db2.gz ATUVJRLVMDNHEM-UKRRQHHQSA-N 0 1 382.961 3.497 20 0 GGADMN CC(C)(C)OC(=O)[C@](C)(O)CNCc1cc2cc(Br)ccc2o1 ZINC000597086093 567679834 /nfs/dbraw/zinc/67/98/34/567679834.db2.gz IGBZPOVUSGSDJR-QGZVFWFLSA-N 0 1 384.270 3.378 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC000573010560 567680617 /nfs/dbraw/zinc/68/06/17/567680617.db2.gz IFVRFPJZPJQZKZ-CQSZACIVSA-N 0 1 388.917 3.484 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000666537953 567681619 /nfs/dbraw/zinc/68/16/19/567681619.db2.gz ISURHZLZYZNQTF-UHFFFAOYSA-N 0 1 387.355 3.209 20 0 GGADMN O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000666538040 567682578 /nfs/dbraw/zinc/68/25/78/567682578.db2.gz LCBQARULLIOMHJ-HNNXBMFYSA-N 0 1 386.323 3.390 20 0 GGADMN FC(F)(F)c1ccc(OCCNCc2ccc(Br)cn2)nc1 ZINC000531864338 567683080 /nfs/dbraw/zinc/68/30/80/567683080.db2.gz WECOLDIMKRGJRX-UHFFFAOYSA-N 0 1 376.176 3.427 20 0 GGADMN CCc1cccnc1[C@H](C)NCCNC(=O)c1ccc(Br)cc1 ZINC000507517213 567682941 /nfs/dbraw/zinc/68/29/41/567682941.db2.gz YTZUZYMHOQIJTA-ZDUSSCGKSA-N 0 1 376.298 3.487 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000442124806 567683310 /nfs/dbraw/zinc/68/33/10/567683310.db2.gz SPAHJLOFNMFLFL-JTQLQIEISA-N 0 1 392.830 3.386 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000442134387 567683649 /nfs/dbraw/zinc/68/36/49/567683649.db2.gz MGRWTVZRJVFJOH-JTQLQIEISA-N 0 1 392.830 3.386 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000442135881 567683977 /nfs/dbraw/zinc/68/39/77/567683977.db2.gz YOQMTOCVBBVOGE-SECBINFHSA-N 0 1 380.869 3.309 20 0 GGADMN O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000481524390 567685137 /nfs/dbraw/zinc/68/51/37/567685137.db2.gz XMXVNOZPPRZVSY-ZIAGYGMSSA-N 0 1 377.901 3.029 20 0 GGADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)NCC(=O)c1cccs1 ZINC000481526379 567685596 /nfs/dbraw/zinc/68/55/96/567685596.db2.gz GBYBUVXMOCXPNS-KPZWWZAWSA-N 0 1 380.897 3.066 20 0 GGADMN OCCN(CCCO[C@@H]1CCCCO1)Cc1cc(Br)ccc1F ZINC000460383976 567685771 /nfs/dbraw/zinc/68/57/71/567685771.db2.gz XCGTZKKQZMERMM-QGZVFWFLSA-N 0 1 390.293 3.316 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cncc(Cl)c1 ZINC000442220624 567686955 /nfs/dbraw/zinc/68/69/55/567686955.db2.gz JUSDBKPTLIPAIG-IAGOWNOFSA-N 0 1 382.869 3.218 20 0 GGADMN Cc1cc(N2CCNC2=O)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000442235182 567687535 /nfs/dbraw/zinc/68/75/35/567687535.db2.gz AOHCXAIYMUGCCN-UHFFFAOYSA-N 0 1 383.832 3.118 20 0 GGADMN O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@@H]1CN1CCCCC1 ZINC000553818936 567688300 /nfs/dbraw/zinc/68/83/00/567688300.db2.gz GZUFEJQTZDYONY-GFCCVEGCSA-N 0 1 378.872 3.257 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](Cc2ccc(-c3ccccc3Br)cc2)CCO1 ZINC000666581105 567688404 /nfs/dbraw/zinc/68/84/04/567688404.db2.gz YXKGHAOMIWGJMM-QGZVFWFLSA-N 0 1 376.250 3.402 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Br)cc2)CCO1 ZINC000666581105 567688411 /nfs/dbraw/zinc/68/84/11/567688411.db2.gz YXKGHAOMIWGJMM-QGZVFWFLSA-N 0 1 376.250 3.402 20 0 GGADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000507580517 567688273 /nfs/dbraw/zinc/68/82/73/567688273.db2.gz GNVVMNZMSQLJIN-UHFFFAOYSA-N 0 1 385.800 3.269 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c(Cl)c1Cl ZINC000460426469 567689023 /nfs/dbraw/zinc/68/90/23/567689023.db2.gz KCPPQUWNXPDYMQ-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000460446852 567689094 /nfs/dbraw/zinc/68/90/94/567689094.db2.gz IDUCFGUPIVHQLF-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN O=S(=O)(NCCN[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1 ZINC000531952666 567689414 /nfs/dbraw/zinc/68/94/14/567689414.db2.gz HJZZVCSMNWSMRH-INIZCTEOSA-N 0 1 382.938 3.445 20 0 GGADMN Cc1nc(S(=O)(=O)NCCc2ccc(F)cc2F)sc1Br ZINC000573116273 567689563 /nfs/dbraw/zinc/68/95/63/567689563.db2.gz BASGVFCQWIJRLG-UHFFFAOYSA-N 0 1 397.266 3.013 20 0 GGADMN O=S(=O)(NCCN[C@H]1CCCOc2c(Cl)cccc21)c1ccccc1 ZINC000531952714 567689997 /nfs/dbraw/zinc/68/99/97/567689997.db2.gz PHROHRFGBCKVGU-KRWDZBQOSA-N 0 1 380.897 3.122 20 0 GGADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(O)c(NC(C)=O)c1 ZINC000481587038 567690617 /nfs/dbraw/zinc/69/06/17/567690617.db2.gz MRUJBMLPBGEHEH-UHFFFAOYSA-N 0 1 384.841 3.204 20 0 GGADMN Cc1ccc(OCCC(=O)N[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000531992884 567691177 /nfs/dbraw/zinc/69/11/77/567691177.db2.gz PECBTJPTWKLDHY-AWEZNQCLSA-N 0 1 378.270 3.443 20 0 GGADMN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cccc(Cl)c1S(=O)(=O)CC ZINC000597241248 567691473 /nfs/dbraw/zinc/69/14/73/567691473.db2.gz RAVRTGYJLKTGDB-YJBOKZPZSA-N 0 1 387.929 3.345 20 0 GGADMN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cccc(Cl)c1S(=O)(=O)CC ZINC000597241247 567691976 /nfs/dbraw/zinc/69/19/76/567691976.db2.gz RAVRTGYJLKTGDB-QAPCUYQASA-N 0 1 387.929 3.345 20 0 GGADMN C[C@@H](Cc1ccccc1Br)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000531970366 567692069 /nfs/dbraw/zinc/69/20/69/567692069.db2.gz UJQTYFDMJSZAPU-NHYWBVRUSA-N 0 1 377.286 3.480 20 0 GGADMN OCCn1nccc1C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000507636901 567692417 /nfs/dbraw/zinc/69/24/17/567692417.db2.gz AAUHJPDINHKNEN-UHFFFAOYSA-N 0 1 384.307 3.441 20 0 GGADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCOc3ccc(Br)cc3C2)C1 ZINC000623215953 567692554 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/nfs/dbraw/zinc/74/51/31/567745131.db2.gz IBYUFNGDGHTUPW-UHFFFAOYSA-N 0 1 380.857 3.316 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000461744813 567745753 /nfs/dbraw/zinc/74/57/53/567745753.db2.gz CBFCZKACDMOQTF-WMLDXEAASA-N 0 1 383.330 3.026 20 0 GGADMN CC(C)[C@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCS1 ZINC000532983393 567745908 /nfs/dbraw/zinc/74/59/08/567745908.db2.gz GJNWFTMTXWKVOJ-CQSZACIVSA-N 0 1 382.327 3.030 20 0 GGADMN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1cc(F)c(Br)cc1F ZINC000623918099 567746540 /nfs/dbraw/zinc/74/65/40/567746540.db2.gz ICLZSAULFWFSJD-SECBINFHSA-N 0 1 382.270 3.203 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(Br)cc2OC)[C@H](C)C1 ZINC000554755185 567747806 /nfs/dbraw/zinc/74/78/06/567747806.db2.gz IBEURJCYTCWRJV-ZIAGYGMSSA-N 0 1 383.330 3.331 20 0 GGADMN CN(C)C(=O)CCN1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443328732 567748089 /nfs/dbraw/zinc/74/80/89/567748089.db2.gz KGPLPPNCLXNKLQ-CQSZACIVSA-N 0 1 393.285 3.114 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000443316501 567748587 /nfs/dbraw/zinc/74/85/87/567748587.db2.gz VXXYQVJWSROYPV-UHFFFAOYSA-N 0 1 398.275 3.443 20 0 GGADMN Cc1cc(Cl)cc2c1N(CC1=Nc3ccccc3S(=O)(=O)N1)CCC2 ZINC000533059255 567748845 /nfs/dbraw/zinc/74/88/45/567748845.db2.gz ZQCFHZMSJJXKGQ-UHFFFAOYSA-N 0 1 375.881 3.423 20 0 GGADMN COc1ccc(Br)cc1CN(C)C[C@H](O)COCc1ccco1 ZINC000533079891 567749707 /nfs/dbraw/zinc/74/97/07/567749707.db2.gz KOHCFBPEKAXRAS-HNNXBMFYSA-N 0 1 384.270 3.060 20 0 GGADMN O=S(=O)(NC1CCN(Cc2cc3ccncc3s2)CC1)c1cccs1 ZINC000667492779 567750397 /nfs/dbraw/zinc/75/03/97/567750397.db2.gz WAJNSWKZAKKEDT-UHFFFAOYSA-N 0 1 393.559 3.301 20 0 GGADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000646951458 567751826 /nfs/dbraw/zinc/75/18/26/567751826.db2.gz ZAMGFVYOQYGVBW-SMDDNHRTSA-N 0 1 382.291 3.404 20 0 GGADMN CSC1(CN(CCNC(C)=O)Cc2ccc(Br)s2)CC1 ZINC000554864471 567752496 /nfs/dbraw/zinc/75/24/96/567752496.db2.gz XUDNYAJADLKWEE-UHFFFAOYSA-N 0 1 377.373 3.344 20 0 GGADMN CCC(CC)(CCO)NCc1nc(Cc2cccc(Br)c2)no1 ZINC000554856316 567752751 /nfs/dbraw/zinc/75/27/51/567752751.db2.gz VDLQIKGNJDZORU-UHFFFAOYSA-N 0 1 382.302 3.454 20 0 GGADMN CC(=O)NCCN(CCC(=O)Nc1cccc(Cl)c1)Cc1ccsc1 ZINC000574057734 567753778 /nfs/dbraw/zinc/75/37/78/567753778.db2.gz SPGPHYCBXRJSAY-UHFFFAOYSA-N 0 1 379.913 3.368 20 0 GGADMN CCN1CCN(Cc2ncc(Br)cc2Br)[C@@H](C)C1 ZINC000554868177 567754019 /nfs/dbraw/zinc/75/40/19/567754019.db2.gz DUHWLCHKVASDBD-JTQLQIEISA-N 0 1 377.124 3.133 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)NCc1cn[nH]c1C ZINC000461923388 567754151 /nfs/dbraw/zinc/75/41/51/567754151.db2.gz ZIAFSSAAFDTVMS-UHFFFAOYSA-N 0 1 397.273 3.218 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)c(OC)c2)c(Cl)c1 ZINC000574092385 567754907 /nfs/dbraw/zinc/75/49/07/567754907.db2.gz DGQACOHOJFKAME-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1ccc(Cl)cc1I ZINC000461933252 567755139 /nfs/dbraw/zinc/75/51/39/567755139.db2.gz WKNGOTXNDYXYOD-UHFFFAOYSA-N 0 1 390.612 3.298 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCCCc1ccc(Br)cc1F ZINC000574100211 567756139 /nfs/dbraw/zinc/75/61/39/567756139.db2.gz NQPCQMAEPUDCDY-UHFFFAOYSA-N 0 1 384.249 3.133 20 0 GGADMN COc1cc(Br)ccc1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000647030998 567756329 /nfs/dbraw/zinc/75/63/29/567756329.db2.gz DUMNLXMKJXNRTP-HEHGZKQESA-N 0 1 381.314 3.260 20 0 GGADMN C[C@H](C(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1cccc(Br)c1 ZINC000461937107 567756395 /nfs/dbraw/zinc/75/63/95/567756395.db2.gz OXXLNTOSANKNOZ-CABCVRRESA-N 0 1 395.341 3.264 20 0 GGADMN Cc1ncc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1C ZINC000667566912 567756917 /nfs/dbraw/zinc/75/69/17/567756917.db2.gz LMAKMVZYMJGNOY-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN CCCN(C(=O)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)[C@@H]1CCN(C)C1 ZINC000647045736 567757930 /nfs/dbraw/zinc/75/79/30/567757930.db2.gz ZUJWJRIIHHMZGF-QWHCGFSZSA-N 0 1 386.323 3.113 20 0 GGADMN C[C@H](Nc1ncnc2[nH]cnc21)c1ccc(Br)cc1OCCCO ZINC000461990785 567758653 /nfs/dbraw/zinc/75/86/53/567758653.db2.gz CLYVCHVRSFJZNN-JTQLQIEISA-N 0 1 392.257 3.050 20 0 GGADMN C[C@@H]1CC(NC(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000574135260 567758908 /nfs/dbraw/zinc/75/89/08/567758908.db2.gz BOJNDEQFONRHDF-NXEZZACHSA-N 0 1 381.274 3.081 20 0 GGADMN CC(C)CC[C@H](CO)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624111210 567760275 /nfs/dbraw/zinc/76/02/75/567760275.db2.gz PKBMOEDTSJEGBA-WDEREUQCSA-N 0 1 383.341 3.089 20 0 GGADMN CC(C)CC[C@H](CO)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624111313 567760533 /nfs/dbraw/zinc/76/05/33/567760533.db2.gz SBBNABJUMFOUAK-HIFRSBDPSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000647123072 567760772 /nfs/dbraw/zinc/76/07/72/567760772.db2.gz SAXDRETYVLKHQM-UHFFFAOYSA-N 0 1 383.779 3.390 20 0 GGADMN CN(C)C(=O)c1ccc(=N[C@@H]2c3cccc(Br)c3CC2(C)C)[nH]n1 ZINC000574172580 567761384 /nfs/dbraw/zinc/76/13/84/567761384.db2.gz LVFDKBKFZHIPRO-MRXNPFEDSA-N 0 1 389.297 3.098 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1sccc1Br ZINC000624136504 567762210 /nfs/dbraw/zinc/76/22/10/567762210.db2.gz LTHCAVHAPRIOJY-YUSALJHKSA-N 0 1 381.361 3.022 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(F)cc1Br ZINC000624136594 567762495 /nfs/dbraw/zinc/76/24/95/567762495.db2.gz OJOMLVRXBVCKMV-VCTAVGKDSA-N 0 1 393.322 3.099 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000533263053 567762817 /nfs/dbraw/zinc/76/28/17/567762817.db2.gz KUOQICKRCSDULD-AWEZNQCLSA-N 0 1 382.913 3.361 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc(Br)ccc2OC(F)F)[C@@H]1OC ZINC000508720916 567763593 /nfs/dbraw/zinc/76/35/93/567763593.db2.gz SRGZRVAACGTQDZ-YUTCNCBUSA-N 0 1 380.229 3.333 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000533309845 567763519 /nfs/dbraw/zinc/76/35/19/567763519.db2.gz QXCWFUMUTKVYDI-UONOGXRCSA-N 0 1 391.313 3.074 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000533312543 567763842 /nfs/dbraw/zinc/76/38/42/567763842.db2.gz AKFHHJKEUUVUTH-ZDUSSCGKSA-N 0 1 379.555 3.178 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000574221020 567763864 /nfs/dbraw/zinc/76/38/64/567763864.db2.gz UMWZMTDABCEDPQ-UHFFFAOYSA-N 0 1 397.313 3.077 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(Br)ccc2OC(F)F)[C@@H]1OC ZINC000508720911 567763973 /nfs/dbraw/zinc/76/39/73/567763973.db2.gz SRGZRVAACGTQDZ-BNOWGMLFSA-N 0 1 380.229 3.333 20 0 GGADMN CCc1[nH]nc(C(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)c1Br ZINC000574211958 567764021 /nfs/dbraw/zinc/76/40/21/567764021.db2.gz GCWITUUNNZQQIS-UHFFFAOYSA-N 0 1 390.281 3.431 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000555037150 567764084 /nfs/dbraw/zinc/76/40/84/567764084.db2.gz YFBKCHFQQXTKEV-UHFFFAOYSA-N 0 1 380.901 3.307 20 0 GGADMN CC(C)(C)OC1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533342012 567765042 /nfs/dbraw/zinc/76/50/42/567765042.db2.gz JWQKNEOIYKXYSD-UHFFFAOYSA-N 0 1 394.313 3.237 20 0 GGADMN CC[NH+](CC)[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000555054147 567765203 /nfs/dbraw/zinc/76/52/03/567765203.db2.gz VOCDXBVWWWNSQZ-GFCCVEGCSA-N 0 1 392.297 3.259 20 0 GGADMN Clc1ccc([C@H](c2nc([C@H]3CCCN3)no2)N2CCOCC2)c(Cl)c1 ZINC000647149797 567765241 /nfs/dbraw/zinc/76/52/41/567765241.db2.gz SECMSUXXGMPRDW-HUUCEWRRSA-N 0 1 383.279 3.223 20 0 GGADMN CCN(CC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(Br)c1 ZINC000533355735 567765805 /nfs/dbraw/zinc/76/58/05/567765805.db2.gz JMOFIFUZBJUAMU-UHFFFAOYSA-N 0 1 394.294 3.298 20 0 GGADMN COc1ccc(Br)cc1C(=O)CCc1nc([C@@H]2CCCN2)no1 ZINC000647156155 567766159 /nfs/dbraw/zinc/76/61/59/567766159.db2.gz QOOPPSWHWDLCTA-LBPRGKRZSA-N 0 1 380.242 3.081 20 0 GGADMN CC[C@H](C)NC(=O)CCNCc1cc(OC(F)F)ccc1Br ZINC000647172482 567767562 /nfs/dbraw/zinc/76/75/62/567767562.db2.gz XYIUETHXVMIEHY-JTQLQIEISA-N 0 1 379.245 3.445 20 0 GGADMN COc1ccccc1[C@@H](N)CNS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000647187583 567767847 /nfs/dbraw/zinc/76/78/47/567767847.db2.gz QZJLBLPNVRLUPQ-INIZCTEOSA-N 0 1 382.913 3.450 20 0 GGADMN COC1CC(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)C1 ZINC000624247534 567769160 /nfs/dbraw/zinc/76/91/60/567769160.db2.gz JPWALBZOYIZHAF-UHFFFAOYSA-N 0 1 384.454 3.052 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000574285783 567769436 /nfs/dbraw/zinc/76/94/36/567769436.db2.gz PXYGJAFFORCLDY-RKDXNWHRSA-N 0 1 398.330 3.282 20 0 GGADMN C[C@@H](CO[C@@H]1CCOC1)NCc1cc(OC(F)F)ccc1Br ZINC000647190886 567769746 /nfs/dbraw/zinc/76/97/46/567769746.db2.gz SXYZMQLKPHLKBB-GXFFZTMASA-N 0 1 380.229 3.334 20 0 GGADMN CCN(CCCNc1ccnc2cc(C(F)(F)F)ccc21)S(C)(=O)=O ZINC000443673156 567769882 /nfs/dbraw/zinc/76/98/82/567769882.db2.gz IMOHHUGCUBXUMW-UHFFFAOYSA-N 0 1 375.416 3.337 20 0 GGADMN CCO[C@H]1COCC[C@@H]1NCc1cc(OC(F)F)ccc1Br ZINC000647201535 567770144 /nfs/dbraw/zinc/77/01/44/567770144.db2.gz RCDDKXKMIGCVRR-KBPBESRZSA-N 0 1 380.229 3.334 20 0 GGADMN C[C@H](CO[C@H]1CCOC1)NCc1cc(OC(F)F)ccc1Br ZINC000647190887 567770258 /nfs/dbraw/zinc/77/02/58/567770258.db2.gz SXYZMQLKPHLKBB-MFKMUULPSA-N 0 1 380.229 3.334 20 0 GGADMN O=C(c1cccc(Br)c1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000533450225 567770335 /nfs/dbraw/zinc/77/03/35/567770335.db2.gz BEUGWTQOWJVFIQ-MLGOLLRUSA-N 0 1 379.298 3.244 20 0 GGADMN C[C@@H]1Cc2ccccc2CN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533437997 567770607 /nfs/dbraw/zinc/77/06/07/567770607.db2.gz WOWDZBJRWLISLS-CYBMUJFWSA-N 0 1 384.277 3.404 20 0 GGADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccoc1 ZINC000508877423 567771138 /nfs/dbraw/zinc/77/11/38/567771138.db2.gz XUXRXMAGDITJNW-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN COc1coc(CNC2(c3cccc(Br)c3)CCOCC2)cc1=O ZINC000533485261 567771301 /nfs/dbraw/zinc/77/13/01/567771301.db2.gz IUZOXJKZGALRNY-UHFFFAOYSA-N 0 1 394.265 3.206 20 0 GGADMN CCCCOCCNC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000533506365 567771352 /nfs/dbraw/zinc/77/13/52/567771352.db2.gz BMFLEFYKTJAHKJ-UHFFFAOYSA-N 0 1 383.330 3.351 20 0 GGADMN Cc1cccc([C@@H]2CCCN2Cc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000533483743 567771728 /nfs/dbraw/zinc/77/17/28/567771728.db2.gz LISYGPJIGDZSLD-KRWDZBQOSA-N 0 1 399.292 3.498 20 0 GGADMN CN(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462104268 567772356 /nfs/dbraw/zinc/77/23/56/567772356.db2.gz SPUQOFFNSIBVMJ-ZDUSSCGKSA-N 0 1 392.468 3.218 20 0 GGADMN Cc1noc2ncc(NS(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)cc12 ZINC000462102244 567772716 /nfs/dbraw/zinc/77/27/16/567772716.db2.gz LOTZGFYNMVKLBF-QMMMGPOBSA-N 0 1 379.825 3.309 20 0 GGADMN CO[C@H](C)CCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000555189066 567772818 /nfs/dbraw/zinc/77/28/18/567772818.db2.gz JDLKAVNXOKIAEI-CYBMUJFWSA-N 0 1 382.507 3.012 20 0 GGADMN CCN(CC(=O)NC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000533548224 567774024 /nfs/dbraw/zinc/77/40/24/567774024.db2.gz KODOFSSNDDXVCU-UHFFFAOYSA-N 0 1 381.314 3.055 20 0 GGADMN CC[C@H](C)C[C@H](CO)NCc1c(Br)cncc1Br ZINC000647244890 567774290 /nfs/dbraw/zinc/77/42/90/567774290.db2.gz KMMDYUQTJUMHCU-VHSXEESVSA-N 0 1 380.124 3.493 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443766427 567774533 /nfs/dbraw/zinc/77/45/33/567774533.db2.gz UUWLATCCVRNKFN-RNCFNFMXSA-N 0 1 382.835 3.120 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790791 567776144 /nfs/dbraw/zinc/77/61/44/567776144.db2.gz PLISJRDCRSYZAU-UWVGGRQHSA-N 0 1 393.734 3.006 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c(C2CC2)n1)C(C)C ZINC000647276814 567777442 /nfs/dbraw/zinc/77/74/42/567777442.db2.gz LICXPMBBGQQPEW-LBPRGKRZSA-N 0 1 377.304 3.134 20 0 GGADMN Cc1c(NS(=O)(=O)c2cc(Cl)cnc2N)cccc1OCC(F)(F)F ZINC000533623501 567778050 /nfs/dbraw/zinc/77/80/50/567778050.db2.gz ZDRPKICGVKCTII-UHFFFAOYSA-N 0 1 395.790 3.368 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000533622793 567778069 /nfs/dbraw/zinc/77/80/69/567778069.db2.gz OSGLCOJBBHNLQN-UHFFFAOYSA-N 0 1 380.626 3.020 20 0 GGADMN C[C@@H](CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)S(C)(=O)=O ZINC000533588758 567778111 /nfs/dbraw/zinc/77/81/11/567778111.db2.gz ACHSYYLXIITZFP-CABZTGNLSA-N 0 1 393.349 3.081 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC000533632864 567778557 /nfs/dbraw/zinc/77/85/57/567778557.db2.gz IRTTVHPHHALLLU-RHSMWYFYSA-N 0 1 379.913 3.066 20 0 GGADMN CCCOc1ccc(Cl)cc1NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000624410052 567778696 /nfs/dbraw/zinc/77/86/96/567778696.db2.gz DZWLUEGZVJPGDF-UHFFFAOYSA-N 0 1 383.857 3.148 20 0 GGADMN Cc1nc(S(=O)(=O)NCC2(c3ccccc3)CC2)sc1Br ZINC000443894397 567778716 /nfs/dbraw/zinc/77/87/16/567778716.db2.gz HKNZWTGPLIZCGR-UHFFFAOYSA-N 0 1 387.324 3.224 20 0 GGADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccsc1Cl)c1ccc(Cl)cc1 ZINC000555322125 567779214 /nfs/dbraw/zinc/77/92/14/567779214.db2.gz KNDGVFYONHTNRX-CYBMUJFWSA-N 0 1 386.304 3.413 20 0 GGADMN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(-c3ccco3)cc2F)s1 ZINC000574477557 567779681 /nfs/dbraw/zinc/77/96/81/567779681.db2.gz LTMFBLPZSCLTRZ-UHFFFAOYSA-N 0 1 381.410 3.301 20 0 GGADMN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000647338059 567779692 /nfs/dbraw/zinc/77/96/92/567779692.db2.gz ZYNSLMCECXGATP-GARJFASQSA-N 0 1 383.341 3.089 20 0 GGADMN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(F)(F)F ZINC000443926593 567780528 /nfs/dbraw/zinc/78/05/28/567780528.db2.gz KKHCILMBZBSCDI-PELKAZGASA-N 0 1 387.807 3.382 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)CC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000555354907 567781165 /nfs/dbraw/zinc/78/11/65/567781165.db2.gz ZGZOLOBFVSNOHR-YJBOKZPZSA-N 0 1 388.961 3.069 20 0 GGADMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(F)ccc1OCCOC)C(F)(F)F ZINC000443940989 567781570 /nfs/dbraw/zinc/78/15/70/567781570.db2.gz JWCFNIYXZOYHKM-QMTHXVAHSA-N 0 1 387.395 3.106 20 0 GGADMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cncc(Br)c1)C(F)(F)F ZINC000443944931 567781581 /nfs/dbraw/zinc/78/15/81/567781581.db2.gz QGAAUTBYEYWQHF-GMSGAONNSA-N 0 1 375.210 3.099 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367243 567781654 /nfs/dbraw/zinc/78/16/54/567781654.db2.gz CKERGNMJSGURIU-RKDXNWHRSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367243 567781656 /nfs/dbraw/zinc/78/16/56/567781656.db2.gz CKERGNMJSGURIU-RKDXNWHRSA-N 0 1 386.271 3.246 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000533678468 567781763 /nfs/dbraw/zinc/78/17/63/567781763.db2.gz GWQMAVPOVXIZEX-LBPRGKRZSA-N 0 1 377.204 3.434 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367240 567782064 /nfs/dbraw/zinc/78/20/64/567782064.db2.gz CKERGNMJSGURIU-BDAKNGLRSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000647367240 567782066 /nfs/dbraw/zinc/78/20/66/567782066.db2.gz CKERGNMJSGURIU-BDAKNGLRSA-N 0 1 386.271 3.246 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000647368070 567782363 /nfs/dbraw/zinc/78/23/63/567782363.db2.gz RVJNAIYJEAFTQG-LRDDRELGSA-N 0 1 390.281 3.449 20 0 GGADMN O=S(=O)(CCCNCc1cnc(C(F)(F)F)s1)Cc1ccccc1 ZINC000443957785 567782694 /nfs/dbraw/zinc/78/26/94/567782694.db2.gz BZDJSZHODVFMDM-UHFFFAOYSA-N 0 1 378.441 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000533697320 567782961 /nfs/dbraw/zinc/78/29/61/567782961.db2.gz MHNBTGWWMIIKSK-BETUJISGSA-N 0 1 377.286 3.446 20 0 GGADMN O=c1[nH]c(N2CC[C@H](Sc3ccc(Br)cc3)C2)nc2[nH]ncc21 ZINC000624474458 567783431 /nfs/dbraw/zinc/78/34/31/567783431.db2.gz ISERTGHWVWGWHP-NSHDSACASA-N 0 1 392.282 3.192 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cn1C ZINC000443972884 567783520 /nfs/dbraw/zinc/78/35/20/567783520.db2.gz XWKYCOZKGVTJCB-GFCCVEGCSA-N 0 1 385.770 3.103 20 0 GGADMN OC[C@@H](CNCc1ncc(Br)s1)Cc1cc(F)c(F)c(F)c1 ZINC000443983856 567784602 /nfs/dbraw/zinc/78/46/02/567784602.db2.gz FKMUSPYZLMOAMB-SECBINFHSA-N 0 1 395.244 3.264 20 0 GGADMN Cc1cccc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)c1F ZINC000444038406 567786657 /nfs/dbraw/zinc/78/66/57/567786657.db2.gz ILOJCLZPEFZZHM-UHFFFAOYSA-N 0 1 380.510 3.484 20 0 GGADMN O=S(=O)(Nc1ncccc1Br)c1cnc(-c2ccccc2)nc1 ZINC000444055000 567786919 /nfs/dbraw/zinc/78/69/19/567786919.db2.gz ZJKZLASYZIGJPW-UHFFFAOYSA-N 0 1 391.250 3.102 20 0 GGADMN O=C(NC1CC1)N[C@@H]1CCN(Cc2cc3cc(Br)ccc3o2)C1 ZINC000667989190 567786979 /nfs/dbraw/zinc/78/69/79/567786979.db2.gz DWWFLABHIZHMET-CQSZACIVSA-N 0 1 378.270 3.231 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)nc2C)cc1Br ZINC000444057098 567787691 /nfs/dbraw/zinc/78/76/91/567787691.db2.gz SNMRJVLDCUNJBU-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN CN1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1(C)C ZINC000555534964 567787967 /nfs/dbraw/zinc/78/79/67/567787967.db2.gz QMTJNPNVKAKQJG-UHFFFAOYSA-N 0 1 375.563 3.494 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@]2(C)OCCc3sccc32)cc1 ZINC000574610709 567788410 /nfs/dbraw/zinc/78/84/10/567788410.db2.gz BGUFFCBMNHZJJV-KXBFYZLASA-N 0 1 379.547 3.296 20 0 GGADMN CSc1ccccc1S(=O)(=O)NCCCN1CCc2ccccc2C1 ZINC000444066458 567788945 /nfs/dbraw/zinc/78/89/45/567788945.db2.gz XCRBUCPPGIZJNG-UHFFFAOYSA-N 0 1 376.547 3.135 20 0 GGADMN CSc1ccccc1S(=O)(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000444069622 567789039 /nfs/dbraw/zinc/78/90/39/567789039.db2.gz FTRIVTSKUBWSCI-QGZVFWFLSA-N 0 1 376.547 3.351 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000444076357 567789859 /nfs/dbraw/zinc/78/98/59/567789859.db2.gz XYOLKWZNEXPRCU-HNNXBMFYSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1nc2ccc(NC(=O)c3cncc(I)c3)cc2[nH]1 ZINC000533848693 567790029 /nfs/dbraw/zinc/79/00/29/567790029.db2.gz HWNBAOBITLXYDU-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ncc(CSC)s2)s1 ZINC000555586846 567791249 /nfs/dbraw/zinc/79/12/49/567791249.db2.gz GZGBUKGYMPPBRX-VHSXEESVSA-N 0 1 385.584 3.173 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[C@H]1CNCCO1 ZINC000444133845 567793878 /nfs/dbraw/zinc/79/38/78/567793878.db2.gz UWORWGFPMPFBFX-SNVBAGLBSA-N 0 1 388.333 3.287 20 0 GGADMN Nc1ccncc1C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000444149222 567794210 /nfs/dbraw/zinc/79/42/10/567794210.db2.gz DOUTTYHHVFCEMV-UHFFFAOYSA-N 0 1 380.275 3.279 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)CCOc1ccccc1Br ZINC000647633945 567794810 /nfs/dbraw/zinc/79/48/10/567794810.db2.gz IJQRIKZIFINGFY-OAHLLOKOSA-N 0 1 393.281 3.043 20 0 GGADMN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000574750953 567795287 /nfs/dbraw/zinc/79/52/87/567795287.db2.gz LUXCUHCVUXLAOF-MNOVXSKESA-N 0 1 381.299 3.064 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000574750956 567795537 /nfs/dbraw/zinc/79/55/37/567795537.db2.gz LUXCUHCVUXLAOF-WDEREUQCSA-N 0 1 381.299 3.064 20 0 GGADMN C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ncc(C(=O)[O-])s1 ZINC000647650963 567796392 /nfs/dbraw/zinc/79/63/92/567796392.db2.gz FLMIWMOJPQXPHB-ZETCQYMHSA-N 0 1 385.239 3.183 20 0 GGADMN Cc1csc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1Br ZINC000647667786 567796415 /nfs/dbraw/zinc/79/64/15/567796415.db2.gz VBIONTMUKIZIFR-CYBMUJFWSA-N 0 1 387.343 3.146 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)N2CCCC23CCN(C)CC3)c1 ZINC000444202336 567797658 /nfs/dbraw/zinc/79/76/58/567797658.db2.gz WLJLJRQPRMJKQP-UHFFFAOYSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1nc(CSc2ccc(C(=O)N(C)Cc3n[nH]c(=O)o3)cc2)cs1 ZINC000647695887 567798083 /nfs/dbraw/zinc/79/80/83/567798083.db2.gz NZZCCHIQDYESOZ-UHFFFAOYSA-N 0 1 376.463 3.105 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000647706985 567798232 /nfs/dbraw/zinc/79/82/32/567798232.db2.gz UOAHTHLXKMGKKV-YUTCNCBUSA-N 0 1 389.348 3.142 20 0 GGADMN O=C(COc1ccc(Cl)c(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000624743539 567798295 /nfs/dbraw/zinc/79/82/95/567798295.db2.gz LARCXMLNEFRKEM-HNNXBMFYSA-N 0 1 387.307 3.086 20 0 GGADMN O=C([O-])[C@@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CCO1 ZINC000668130443 567798423 /nfs/dbraw/zinc/79/84/23/567798423.db2.gz LJXKPZOGFJRYOU-HNNXBMFYSA-N 0 1 377.238 3.165 20 0 GGADMN O=S(=O)(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cncc(Cl)c1 ZINC000444218673 567798405 /nfs/dbraw/zinc/79/84/05/567798405.db2.gz XTEMDUDKQCMLBN-UHFFFAOYSA-N 0 1 391.802 3.414 20 0 GGADMN Cc1nc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)ccc1I ZINC000598938442 567798795 /nfs/dbraw/zinc/79/87/95/567798795.db2.gz XVQUHNOAOHDPOC-KWQFWETISA-N 0 1 396.232 3.022 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC000598933924 567799116 /nfs/dbraw/zinc/79/91/16/567799116.db2.gz MKYPIPQFWPLLOL-PELKAZGASA-N 0 1 396.232 3.022 20 0 GGADMN CCC[C@@H](NC(=O)c1ccc(Br)c(Cl)c1F)c1nn[nH]n1 ZINC000444267229 567799368 /nfs/dbraw/zinc/79/93/68/567799368.db2.gz GIPMOGOAUBYVET-MRVPVSSYSA-N 0 1 376.617 3.026 20 0 GGADMN Cc1nc2ccnn2c(C)c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000534082340 567799470 /nfs/dbraw/zinc/79/94/70/567799470.db2.gz NIPFUQQSEDYTBX-UHFFFAOYSA-N 0 1 385.225 3.237 20 0 GGADMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000647735811 567799822 /nfs/dbraw/zinc/79/98/22/567799822.db2.gz NFGGDIULWQAABV-UHFFFAOYSA-N 0 1 376.247 3.409 20 0 GGADMN O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CCc2nc[nH]c2C1 ZINC000647735232 567800091 /nfs/dbraw/zinc/80/00/91/567800091.db2.gz XBSZNJHZOWIVHD-UHFFFAOYSA-N 0 1 391.200 3.165 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2ccc(Br)c(Cl)c2F)n[nH]1 ZINC000444312536 567801330 /nfs/dbraw/zinc/80/13/30/567801330.db2.gz MJQUEVFPNYMYGA-LURJTMIESA-N 0 1 375.629 3.413 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(CN[C@H](CO)c2ccc(Br)cc2)c1C ZINC000598974020 567801597 /nfs/dbraw/zinc/80/15/97/567801597.db2.gz OBCYNWBCRUPDSA-MRXNPFEDSA-N 0 1 395.297 3.394 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(Cl)cc(Br)c2F)n[nH]1 ZINC000444323297 567801902 /nfs/dbraw/zinc/80/19/02/567801902.db2.gz XYQBAOXEXXVXEM-LURJTMIESA-N 0 1 375.629 3.413 20 0 GGADMN O=C(COc1ccc(Br)cc1F)Nc1n[nH]c2cc(O)ccc21 ZINC000647802783 567802346 /nfs/dbraw/zinc/80/23/46/567802346.db2.gz UJXJDFHEGBGCKS-UHFFFAOYSA-N 0 1 380.173 3.188 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2c(Cl)oc3ccccc32)cc1 ZINC000534164241 567802543 /nfs/dbraw/zinc/80/25/43/567802543.db2.gz PVZOWWHLCXXQGF-UHFFFAOYSA-N 0 1 378.881 3.463 20 0 GGADMN CCCNC(=O)CCCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534205925 567803331 /nfs/dbraw/zinc/80/33/31/567803331.db2.gz HPNGVJPUMHQBJF-UHFFFAOYSA-N 0 1 377.666 3.443 20 0 GGADMN Cn1nc(NS(=O)(=O)CCc2ccccc2Br)cc1C1CC1 ZINC000574891016 567803303 /nfs/dbraw/zinc/80/33/03/567803303.db2.gz CYDZVYDGUFNEAE-UHFFFAOYSA-N 0 1 384.299 3.044 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891196 567803376 /nfs/dbraw/zinc/80/33/76/567803376.db2.gz MJYHTRAQVWDADY-HTQZYQBOSA-N 0 1 382.433 3.438 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000534222233 567804267 /nfs/dbraw/zinc/80/42/67/567804267.db2.gz SFWJCZVZQBYTII-LLVKDONJSA-N 0 1 392.301 3.222 20 0 GGADMN O=C([O-])C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CCc1ccccc1 ZINC000574922410 567804554 /nfs/dbraw/zinc/80/45/54/567804554.db2.gz RQFQQMIKMOLUDK-SFHVURJKSA-N 0 1 392.293 3.329 20 0 GGADMN O=c1[nH]cccc1CN[C@H]1CCCOc2ccc(I)cc21 ZINC000599082892 567804661 /nfs/dbraw/zinc/80/46/61/567804661.db2.gz DUXPOCAZOFTEHD-AWEZNQCLSA-N 0 1 396.228 3.395 20 0 GGADMN C[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1(F)F ZINC000444405504 567804686 /nfs/dbraw/zinc/80/46/86/567804686.db2.gz RCAMONBWBDAZMF-VIFPVBQESA-N 0 1 385.208 3.408 20 0 GGADMN COc1ccc(Br)c(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000534257042 567804711 /nfs/dbraw/zinc/80/47/11/567804711.db2.gz BMILOQYADFDYJZ-JTQLQIEISA-N 0 1 396.289 3.260 20 0 GGADMN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1(F)F ZINC000444405503 567804789 /nfs/dbraw/zinc/80/47/89/567804789.db2.gz RCAMONBWBDAZMF-SECBINFHSA-N 0 1 385.208 3.408 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)Nc1ccccc1Br ZINC000574922882 567804856 /nfs/dbraw/zinc/80/48/56/567804856.db2.gz PMHQMMZGWUQJEG-UHFFFAOYSA-N 0 1 393.285 3.067 20 0 GGADMN O=C([O-])C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CCc1ccccc1 ZINC000574922409 567805117 /nfs/dbraw/zinc/80/51/17/567805117.db2.gz RQFQQMIKMOLUDK-GOSISDBHSA-N 0 1 392.293 3.329 20 0 GGADMN Cc1cc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)ccc1Br ZINC000534244612 567805120 /nfs/dbraw/zinc/80/51/20/567805120.db2.gz IXROFETVSXRNNM-JTQLQIEISA-N 0 1 387.303 3.039 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CC[C@H](c3nccn3C)C2)ccc1Br ZINC000534309469 567806682 /nfs/dbraw/zinc/80/66/82/567806682.db2.gz TYCOZTOIVGAISM-KBPBESRZSA-N 0 1 391.313 3.308 20 0 GGADMN N[C@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000647913743 567806868 /nfs/dbraw/zinc/80/68/68/567806868.db2.gz UZQGSEDMXXXMCR-INIZCTEOSA-N 0 1 381.259 3.471 20 0 GGADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444542511 567807157 /nfs/dbraw/zinc/80/71/57/567807157.db2.gz FESNDBADJJXOOS-CHWSQXEVSA-N 0 1 389.323 3.064 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444544511 567807297 /nfs/dbraw/zinc/80/72/97/567807297.db2.gz HSNWEEFADKIGSO-STQMWFEESA-N 0 1 389.323 3.064 20 0 GGADMN COc1ccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c(C)c1 ZINC000574987038 567807419 /nfs/dbraw/zinc/80/74/19/567807419.db2.gz BASBJKXXWIXLLP-GOSISDBHSA-N 0 1 377.282 3.256 20 0 GGADMN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444542514 567807395 /nfs/dbraw/zinc/80/73/95/567807395.db2.gz FESNDBADJJXOOS-STQMWFEESA-N 0 1 389.323 3.064 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000444537887 567807431 /nfs/dbraw/zinc/80/74/31/567807431.db2.gz AGTYJJLBJJQLBF-NSHDSACASA-N 0 1 378.822 3.276 20 0 GGADMN CC(C)(C)OC(=O)Cc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000534331929 567807581 /nfs/dbraw/zinc/80/75/81/567807581.db2.gz SXWNWWKQEDIDIO-UHFFFAOYSA-N 0 1 382.869 3.420 20 0 GGADMN CN(CCOc1ccc(Br)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000534331302 567807608 /nfs/dbraw/zinc/80/76/08/567807608.db2.gz IMBQNVYCQZNJTD-UHFFFAOYSA-N 0 1 391.313 3.350 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](c3nccn3C)C2)ccc1Br ZINC000534309472 567807616 /nfs/dbraw/zinc/80/76/16/567807616.db2.gz TYCOZTOIVGAISM-UONOGXRCSA-N 0 1 391.313 3.308 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Br)CCN1CC(C)(C)O ZINC000444549430 567807912 /nfs/dbraw/zinc/80/79/12/567807912.db2.gz LHFOHHYLNYWELD-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)CCN1CC(C)(C)O ZINC000444554851 567807968 /nfs/dbraw/zinc/80/79/68/567807968.db2.gz RMJNCISRCCYBMA-ZDUSSCGKSA-N 0 1 389.323 3.066 20 0 GGADMN C[C@H](NC(=O)CN[C@](C)(CO)c1ccccc1)c1ccc(Br)cc1 ZINC000599173368 567808648 /nfs/dbraw/zinc/80/86/48/567808648.db2.gz VLJPGOJGZREVLI-IFXJQAMLSA-N 0 1 391.309 3.124 20 0 GGADMN CCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@H](C)C(=O)OCC ZINC000444626846 567809367 /nfs/dbraw/zinc/80/93/67/567809367.db2.gz OWKHNBDQIHYWNH-SNVBAGLBSA-N 0 1 382.258 3.129 20 0 GGADMN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)cn2)n1 ZINC000534401869 567809749 /nfs/dbraw/zinc/80/97/49/567809749.db2.gz RWNIGPYKUDXKQW-UHFFFAOYSA-N 0 1 380.832 3.477 20 0 GGADMN Cc1c(S(=O)(=O)Nc2cnn(C(C)C)c2)cnn1-c1ccc(Cl)cc1 ZINC000575037186 567809757 /nfs/dbraw/zinc/80/97/57/567809757.db2.gz DSHXBUKTUZKFLR-UHFFFAOYSA-N 0 1 379.873 3.412 20 0 GGADMN CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1Cl ZINC000534400299 567810168 /nfs/dbraw/zinc/81/01/68/567810168.db2.gz NEKFVYYZRILYMI-UHFFFAOYSA-N 0 1 377.224 3.293 20 0 GGADMN CCCc1nc(C)c(CNC[C@@H](O)COc2ccc(Br)cc2)o1 ZINC000575053796 567810265 /nfs/dbraw/zinc/81/02/65/567810265.db2.gz YXKFELWZDXDLGE-CQSZACIVSA-N 0 1 383.286 3.228 20 0 GGADMN O=S(=O)([C@@H]1CCN(Cc2ccc(-c3ccsc3)cc2)C1)N1CCCC1 ZINC000444651309 567810373 /nfs/dbraw/zinc/81/03/73/567810373.db2.gz QOIXSJKQEIKSMM-LJQANCHMSA-N 0 1 376.547 3.415 20 0 GGADMN O=S(=O)([C@H]1CCN(Cc2ccc(-c3ccsc3)cc2)C1)N1CCCC1 ZINC000444651306 567810893 /nfs/dbraw/zinc/81/08/93/567810893.db2.gz QOIXSJKQEIKSMM-IBGZPJMESA-N 0 1 376.547 3.415 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648014283 567811191 /nfs/dbraw/zinc/81/11/91/567811191.db2.gz MDVKXLOZHRVDMH-LBPRGKRZSA-N 0 1 391.256 3.351 20 0 GGADMN COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000575065451 567811469 /nfs/dbraw/zinc/81/14/69/567811469.db2.gz LGNGHIFSJNQMQX-JQWIXIFHSA-N 0 1 378.416 3.364 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc(OC(F)F)ccc2Br)[C@@H]1OC ZINC000648024051 567812306 /nfs/dbraw/zinc/81/23/06/567812306.db2.gz YGYRMOZUTUCYMT-MJBXVCDLSA-N 0 1 380.229 3.333 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000534441947 567812380 /nfs/dbraw/zinc/81/23/80/567812380.db2.gz SWCHJEOHTGGBKU-VPXKQDMUSA-N 0 1 379.551 3.149 20 0 GGADMN C[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]nc21)Sc1ccc(Br)cc1 ZINC000668528692 567813023 /nfs/dbraw/zinc/81/30/23/567813023.db2.gz RZCFVEDYLSUWSQ-GXFFZTMASA-N 0 1 395.326 3.284 20 0 GGADMN C[C@@](N)(C(=O)NC[C@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000648082673 567813025 /nfs/dbraw/zinc/81/30/25/567813025.db2.gz ZDUURMDRSGEKJO-MJGOQNOKSA-N 0 1 389.293 3.053 20 0 GGADMN C[C@@](N)(C(=O)NC[C@@H]1OCCc2ccccc21)c1ccc(Br)cc1 ZINC000648082671 567813061 /nfs/dbraw/zinc/81/30/61/567813061.db2.gz ZDUURMDRSGEKJO-HKUYNNGSSA-N 0 1 389.293 3.053 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000648101796 567813115 /nfs/dbraw/zinc/81/31/15/567813115.db2.gz DFTUEKIWGUOPGA-KRWDZBQOSA-N 0 1 377.257 3.481 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1CN(C)C[C@H]1COCCO1 ZINC000668543835 567813100 /nfs/dbraw/zinc/81/31/00/567813100.db2.gz YIAWKRDSLQDPNZ-KRWDZBQOSA-N 0 1 394.313 3.099 20 0 GGADMN CCCOc1c(Br)cc(CN(C)C[C@@H]2COCCO2)cc1OC ZINC000668541416 567813108 /nfs/dbraw/zinc/81/31/08/567813108.db2.gz GIERZCITKPAMFK-CQSZACIVSA-N 0 1 388.302 3.094 20 0 GGADMN CN(Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H]1COCCO1 ZINC000668545554 567813118 /nfs/dbraw/zinc/81/31/18/567813118.db2.gz VCYFEARTHWJMGS-NSHDSACASA-N 0 1 384.192 3.195 20 0 GGADMN CN(Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H]1COCCO1 ZINC000668545553 567813125 /nfs/dbraw/zinc/81/31/25/567813125.db2.gz VCYFEARTHWJMGS-LLVKDONJSA-N 0 1 384.192 3.195 20 0 GGADMN CCc1c(NC(=O)[C@H](COC)OC)[nH]nc1-c1ccc(Br)cc1 ZINC000668607886 567814843 /nfs/dbraw/zinc/81/48/43/567814843.db2.gz GBUTZZJYOIAJCQ-ZDUSSCGKSA-N 0 1 382.258 3.002 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCCC1)c1nc2cnccc2s1 ZINC000668627139 567814971 /nfs/dbraw/zinc/81/49/71/567814971.db2.gz NNFVKSMKRCIZME-UHFFFAOYSA-N 0 1 376.551 3.173 20 0 GGADMN COC(=O)c1cccc(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000534689424 567815976 /nfs/dbraw/zinc/81/59/76/567815976.db2.gz BAAIXSBBKQNSBZ-UHFFFAOYSA-N 0 1 388.221 3.293 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(N3CCCC3)nc2)N(C)C)c1 ZINC000048084933 570218571 /nfs/dbraw/zinc/21/85/71/570218571.db2.gz OKGGTYSBIGESMH-LJQANCHMSA-N 0 1 383.496 3.115 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(Nc3ncccn3)c2)N(C)C)c1 ZINC000048355061 570243584 /nfs/dbraw/zinc/24/35/84/570243584.db2.gz HHXXVRWSRLLRNN-HXUWFJFHSA-N 0 1 391.475 3.262 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000048368037 570248085 /nfs/dbraw/zinc/24/80/85/570248085.db2.gz KAPSTXUETDDQJW-JOCHJYFZSA-N 0 1 395.503 3.034 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000048375247 570249251 /nfs/dbraw/zinc/24/92/51/570249251.db2.gz AWQSWCBVJNRJME-ZDUSSCGKSA-N 0 1 390.399 3.403 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccnn3C(C)C)n2)cc1 ZINC000006141431 570276837 /nfs/dbraw/zinc/27/68/37/570276837.db2.gz RZDNRZGOJNCPRC-GFCCVEGCSA-N 0 1 386.481 3.377 20 0 GGADMN O=S(=O)(c1ccc(N2CCCN(Cc3ccccc3)CC2)cc1)C(F)F ZINC000051502432 570284842 /nfs/dbraw/zinc/28/48/42/570284842.db2.gz GNZIJEVUXDHLNA-UHFFFAOYSA-N 0 1 380.460 3.395 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012911962 570291052 /nfs/dbraw/zinc/29/10/52/570291052.db2.gz FUKVKIPSPGJRIX-KRWDZBQOSA-N 0 1 395.503 3.262 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012911957 570291140 /nfs/dbraw/zinc/29/11/40/570291140.db2.gz FUKVKIPSPGJRIX-QGZVFWFLSA-N 0 1 395.503 3.262 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012931468 570301379 /nfs/dbraw/zinc/30/13/79/570301379.db2.gz FHMGBHCNDGKOPS-QZTJIDSGSA-N 0 1 395.503 3.223 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327090 570315253 /nfs/dbraw/zinc/31/52/53/570315253.db2.gz KXPKAEWKEJVVDU-SFHVURJKSA-N 0 1 383.467 3.135 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F ZINC000012328717 570315680 /nfs/dbraw/zinc/31/56/80/570315680.db2.gz IRFROXJGXXWOJJ-GOSISDBHSA-N 0 1 383.467 3.101 20 0 GGADMN CCn1nc(C)c(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000237035150 570324668 /nfs/dbraw/zinc/32/46/68/570324668.db2.gz KVKDFMWPHKCTIO-HOTGVXAUSA-N 0 1 384.524 3.059 20 0 GGADMN CCn1nc(C)c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000237035179 570324719 /nfs/dbraw/zinc/32/47/19/570324719.db2.gz KVKDFMWPHKCTIO-IYBDPMFKSA-N 0 1 384.524 3.059 20 0 GGADMN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000010901368 570354649 /nfs/dbraw/zinc/35/46/49/570354649.db2.gz PGZFXHGFEAIVEA-UHFFFAOYSA-N 0 1 376.460 3.186 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023387072 570360151 /nfs/dbraw/zinc/36/01/51/570360151.db2.gz CRHCMSLIECPXFZ-HXUWFJFHSA-N 0 1 390.911 3.048 20 0 GGADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000013003947 570414551 /nfs/dbraw/zinc/41/45/51/570414551.db2.gz QBHPIPVWFGFVFH-SFHVURJKSA-N 0 1 391.512 3.120 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000013003947 570414553 /nfs/dbraw/zinc/41/45/53/570414553.db2.gz QBHPIPVWFGFVFH-SFHVURJKSA-N 0 1 391.512 3.120 20 0 GGADMN O=C(NC1CCN(c2ccccc2)CC1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000054200088 570452408 /nfs/dbraw/zinc/45/24/08/570452408.db2.gz IUCSFJXLUIKPHN-UHFFFAOYSA-N 0 1 380.473 3.397 20 0 GGADMN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000061801941 570525486 /nfs/dbraw/zinc/52/54/86/570525486.db2.gz QZVMSHQCAZCRTB-PMACEKPBSA-N 0 1 388.508 3.166 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000040070903 570545986 /nfs/dbraw/zinc/54/59/86/570545986.db2.gz YCPMRZGTELRJKI-VQTJNVASSA-N 0 1 383.517 3.431 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1cccc(F)c1 ZINC000032983588 570572616 /nfs/dbraw/zinc/57/26/16/570572616.db2.gz BJXJJKPLJBZPNK-SFHVURJKSA-N 0 1 399.495 3.269 20 0 GGADMN CN(CCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)OC(C)(C)C ZINC000225493918 570579809 /nfs/dbraw/zinc/57/98/09/570579809.db2.gz XZUDXJVPBWUEBY-QGZVFWFLSA-N 0 1 379.476 3.120 20 0 GGADMN Fc1ccc(C2OCCO2)c(Cl)c1CNCCc1nnc2n1CCCCC2 ZINC000225660765 570599480 /nfs/dbraw/zinc/59/94/80/570599480.db2.gz VCPPHVQUGRQDCQ-UHFFFAOYSA-N 0 1 394.878 3.175 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ncc(-c3cncc(F)c3)cn2)c1 ZINC000225743927 570612578 /nfs/dbraw/zinc/61/25/78/570612578.db2.gz SNGZNLIQKOTFSQ-UHFFFAOYSA-N 0 1 386.408 3.071 20 0 GGADMN O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000006816177 570618002 /nfs/dbraw/zinc/61/80/02/570618002.db2.gz YOQXOCKBKZPRJT-UHFFFAOYSA-N 0 1 393.531 3.416 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000064969533 570619342 /nfs/dbraw/zinc/61/93/42/570619342.db2.gz KSOZIPAKVOPDJK-UHFFFAOYSA-N 0 1 390.896 3.263 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)CC1 ZINC000006820703 570622894 /nfs/dbraw/zinc/62/28/94/570622894.db2.gz XRIVUQDOEDWIDE-JOCHJYFZSA-N 0 1 395.503 3.249 20 0 GGADMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NCCOc1ccccc1 ZINC000006879800 570670677 /nfs/dbraw/zinc/67/06/77/570670677.db2.gz KNJKIVOUDPFKCS-UHFFFAOYSA-N 0 1 388.880 3.412 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1C ZINC000058006441 570707022 /nfs/dbraw/zinc/70/70/22/570707022.db2.gz SFTCGJRJSXPVFY-UHFFFAOYSA-N 0 1 384.461 3.399 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000058099545 570709290 /nfs/dbraw/zinc/70/92/90/570709290.db2.gz FOBBMIHPJLICFC-OAHLLOKOSA-N 0 1 376.482 3.140 20 0 GGADMN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1OC(F)F ZINC000012787802 570712967 /nfs/dbraw/zinc/71/29/67/570712967.db2.gz IHHIJFSLXSPDGD-MRXNPFEDSA-N 0 1 376.403 3.301 20 0 GGADMN CC(C)N(CC(=O)NC1CCCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000058357274 570728805 /nfs/dbraw/zinc/72/88/05/570728805.db2.gz UADUZUFDAUIFSS-FQEVSTJZSA-N 0 1 384.520 3.349 20 0 GGADMN Cc1cc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)ccc1N1CCCC1 ZINC000052215383 570743436 /nfs/dbraw/zinc/74/34/36/570743436.db2.gz WSTJHZBZGQTCFW-UHFFFAOYSA-N 0 1 380.473 3.373 20 0 GGADMN CCCc1cnc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000189308860 570749812 /nfs/dbraw/zinc/74/98/12/570749812.db2.gz IJGCWBXISLRYFC-FQEVSTJZSA-N 0 1 388.537 3.196 20 0 GGADMN Cc1ccc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c2c1 ZINC000005927753 570804540 /nfs/dbraw/zinc/80/45/40/570804540.db2.gz JFUFIXVIKNZXIU-UHFFFAOYSA-N 0 1 386.502 3.251 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)c1 ZINC000007240955 570818546 /nfs/dbraw/zinc/81/85/46/570818546.db2.gz FTFUGMOOXKEUKF-UHFFFAOYSA-N 0 1 384.461 3.052 20 0 GGADMN CC(C)c1ccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000012507752 570823801 /nfs/dbraw/zinc/82/38/01/570823801.db2.gz PBAISXGLKINDNP-LJQANCHMSA-N 0 1 377.448 3.417 20 0 GGADMN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000007274921 570823880 /nfs/dbraw/zinc/82/38/80/570823880.db2.gz NVFNAJVXEONVFK-QFIPXVFZSA-N 0 1 379.504 3.471 20 0 GGADMN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000007274916 570823913 /nfs/dbraw/zinc/82/39/13/570823913.db2.gz NVFNAJVXEONVFK-JOCHJYFZSA-N 0 1 379.504 3.471 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 ZINC000012521607 570828267 /nfs/dbraw/zinc/82/82/67/570828267.db2.gz SQOJLHKDZPZDPL-IBGZPJMESA-N 0 1 399.878 3.332 20 0 GGADMN O=C(c1ccc(C2SCCS2)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000032809836 570832330 /nfs/dbraw/zinc/83/23/30/570832330.db2.gz PRJRFPSRVUHIAF-SFHVURJKSA-N 0 1 392.590 3.492 20 0 GGADMN Cc1noc(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2)n1 ZINC000012527348 570832704 /nfs/dbraw/zinc/83/27/04/570832704.db2.gz PVPZPDXBGFSVIH-UHFFFAOYSA-N 0 1 391.475 3.358 20 0 GGADMN CC[NH+]1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007364685 570834306 /nfs/dbraw/zinc/83/43/06/570834306.db2.gz HAYKLJQHVQEQHO-UHFFFAOYSA-N 0 1 397.903 3.422 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065586387 570836653 /nfs/dbraw/zinc/83/66/53/570836653.db2.gz WLMLVSOPRWJSPT-PZJWPPBQSA-N 0 1 396.510 3.226 20 0 GGADMN COc1cc(OC)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OC ZINC000012542113 570842927 /nfs/dbraw/zinc/84/29/27/570842927.db2.gz FPBIVWPINCOERE-UHFFFAOYSA-N 0 1 399.491 3.025 20 0 GGADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2OC)cc1 ZINC000012548497 570850868 /nfs/dbraw/zinc/85/08/68/570850868.db2.gz ZSHKLOQVMPREQW-UHFFFAOYSA-N 0 1 388.489 3.294 20 0 GGADMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000170609147 570865507 /nfs/dbraw/zinc/86/55/07/570865507.db2.gz SDVPMSVCBILWEQ-CQSZACIVSA-N 0 1 396.534 3.251 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCc4ccccc43)cc2[nH]c1=S ZINC000103013333 570873037 /nfs/dbraw/zinc/87/30/37/570873037.db2.gz IBFWBTNUSNJQCG-HNNXBMFYSA-N 0 1 379.485 3.072 20 0 GGADMN COc1ccc2c(CN(C)Cc3ccccc3N3CCOCC3)cc(=O)oc2c1 ZINC000015038644 570873087 /nfs/dbraw/zinc/87/30/87/570873087.db2.gz UVOSZUYRPROEGI-UHFFFAOYSA-N 0 1 394.471 3.270 20 0 GGADMN Cc1cccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000032871845 570873560 /nfs/dbraw/zinc/87/35/60/570873560.db2.gz GFOITWVEVJZYQT-UHFFFAOYSA-N 0 1 384.487 3.446 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH]nnc2c1 ZINC000012583060 570879520 /nfs/dbraw/zinc/87/95/20/570879520.db2.gz UJMFECVMIIKSDL-UHFFFAOYSA-N 0 1 392.246 3.366 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000012604064 570887732 /nfs/dbraw/zinc/88/77/32/570887732.db2.gz WTDUUSWCFNYNND-NSHDSACASA-N 0 1 378.388 3.057 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000103918304 570890283 /nfs/dbraw/zinc/89/02/83/570890283.db2.gz HNAANMDNEQJURO-QZTJIDSGSA-N 0 1 377.492 3.480 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC000047469843 570958215 /nfs/dbraw/zinc/95/82/15/570958215.db2.gz BXBORFGJELWDDR-UHFFFAOYSA-N 0 1 384.446 3.023 20 0 GGADMN COc1ccc2nc(SCCC(=O)NC(=O)NCc3ccccc3)[nH]c2c1 ZINC000011329413 570969172 /nfs/dbraw/zinc/96/91/72/570969172.db2.gz DFUHMQNGISOSGJ-UHFFFAOYSA-N 0 1 384.461 3.080 20 0 GGADMN CCN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC000252488157 570969782 /nfs/dbraw/zinc/96/97/82/570969782.db2.gz ILYBODZVIJFEJK-INIZCTEOSA-N 0 1 387.915 3.437 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(F)c(F)c1 ZINC000252512206 570982417 /nfs/dbraw/zinc/98/24/17/570982417.db2.gz OAYOEBYIXLERTA-DNVCBOLYSA-N 0 1 378.444 3.270 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cnc2ccccn2c1=O)c1ccccc1Cl ZINC000012740961 570985294 /nfs/dbraw/zinc/98/52/94/570985294.db2.gz SYBMKWNMLJFTKZ-SFHVURJKSA-N 0 1 398.894 3.161 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000045443975 570991346 /nfs/dbraw/zinc/99/13/46/570991346.db2.gz OGJBSJUEYWWTRF-GDBMZVCRSA-N 0 1 381.542 3.114 20 0 GGADMN Cc1cc(C(=O)CSc2c[nH]nn2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000170653691 570998985 /nfs/dbraw/zinc/99/89/85/570998985.db2.gz LNMQXTVPQMPFQN-AWEZNQCLSA-N 0 1 384.461 3.038 20 0 GGADMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000012772780 571026664 /nfs/dbraw/zinc/02/66/64/571026664.db2.gz QBBUANHZINANKB-UHFFFAOYSA-N 0 1 382.508 3.283 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(Cl)c1 ZINC000012774365 571027765 /nfs/dbraw/zinc/02/77/65/571027765.db2.gz UAYBXFYTBVWVFV-UHFFFAOYSA-N 0 1 389.868 3.438 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012776093 571029470 /nfs/dbraw/zinc/02/94/70/571029470.db2.gz CKFYLTBYCQMJJL-IBGZPJMESA-N 0 1 377.492 3.325 20 0 GGADMN Clc1cc(-c2nn[nH]n2)cnc1NC[C@H](c1cccs1)N1CCCC1 ZINC000737559470 598934936 /nfs/dbraw/zinc/93/49/36/598934936.db2.gz YUSPHYAEJKJXRR-CYBMUJFWSA-N 0 1 375.889 3.226 20 0 GGADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccccc1SC(F)F ZINC000737225800 598947660 /nfs/dbraw/zinc/94/76/60/598947660.db2.gz RWJPOBVECXTMJP-UHFFFAOYSA-N 0 1 397.432 3.291 20 0 GGADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000737223687 598948665 /nfs/dbraw/zinc/94/86/65/598948665.db2.gz BMMRLJXXYSFVIK-UHFFFAOYSA-N 0 1 387.465 3.011 20 0 GGADMN Cc1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1-c1nn[nH]n1 ZINC000822122792 607255929 /nfs/dbraw/zinc/25/59/29/607255929.db2.gz QRSVSLQTRCAJTE-UHFFFAOYSA-N 0 1 384.248 3.283 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c(SC)cc1OC ZINC000737045902 599052098 /nfs/dbraw/zinc/05/20/98/599052098.db2.gz SHYBUNNGJISIHR-LBPRGKRZSA-N 0 1 385.493 3.457 20 0 GGADMN CN(C)Cc1cc(CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)ccc1F ZINC000736771800 599058461 /nfs/dbraw/zinc/05/84/61/599058461.db2.gz SKOOUBGQLJHGBL-UHFFFAOYSA-N 0 1 395.364 3.093 20 0 GGADMN C[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820727314 599109548 /nfs/dbraw/zinc/10/95/48/599109548.db2.gz KPQRXUWKSVWIAV-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820727314 599109549 /nfs/dbraw/zinc/10/95/49/599109549.db2.gz KPQRXUWKSVWIAV-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727314 599109550 /nfs/dbraw/zinc/10/95/50/599109550.db2.gz KPQRXUWKSVWIAV-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727314 599109551 /nfs/dbraw/zinc/10/95/51/599109551.db2.gz KPQRXUWKSVWIAV-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727005 599109706 /nfs/dbraw/zinc/10/97/06/599109706.db2.gz FKLFFBPKVASQEH-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820727005 599109708 /nfs/dbraw/zinc/10/97/08/599109708.db2.gz FKLFFBPKVASQEH-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727005 599109712 /nfs/dbraw/zinc/10/97/12/599109712.db2.gz FKLFFBPKVASQEH-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820727005 599109714 /nfs/dbraw/zinc/10/97/14/599109714.db2.gz FKLFFBPKVASQEH-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000463299896 599133935 /nfs/dbraw/zinc/13/39/35/599133935.db2.gz HJAQXACGHFNDMA-UHFFFAOYSA-N 0 1 397.345 3.111 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCCC[C@@H]1c1ccc(C)o1 ZINC000737033634 599139211 /nfs/dbraw/zinc/13/92/11/599139211.db2.gz VSJFPNUETYAMGN-MRXNPFEDSA-N 0 1 383.452 3.383 20 0 GGADMN Cc1ccc([C@@H]2CCCCN2CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737332369 599139739 /nfs/dbraw/zinc/13/97/39/599139739.db2.gz TTYWUTBAHAYSDU-FQEVSTJZSA-N 0 1 390.491 3.019 20 0 GGADMN O=S(=O)(Nc1ccc(OC2CCCCC2)cc1)c1ccccc1-c1nn[nH]n1 ZINC000738343440 599167994 /nfs/dbraw/zinc/16/79/94/599167994.db2.gz ZEYGIROSFGEEPO-UHFFFAOYSA-N 0 1 399.476 3.379 20 0 GGADMN Cc1ccc([C@@H]2CSCCN2CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737333364 599176864 /nfs/dbraw/zinc/17/68/64/599176864.db2.gz UJOVXKMNEQRYBJ-IBGZPJMESA-N 0 1 381.505 3.344 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000517566552 596925461 /nfs/dbraw/zinc/92/54/61/596925461.db2.gz VKFAPCKSIHJFCO-HXUWFJFHSA-N 0 1 382.460 3.480 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000533202973 597083019 /nfs/dbraw/zinc/08/30/19/597083019.db2.gz AWWOUZINSSHBTJ-SJORKVTESA-N 0 1 384.480 3.003 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000533202891 597085693 /nfs/dbraw/zinc/08/56/93/597085693.db2.gz UASOFBXJQCFCKW-VBKZILBWSA-N 0 1 390.480 3.280 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000819056550 597086330 /nfs/dbraw/zinc/08/63/30/597086330.db2.gz QBHVXUUYKCPOIJ-AWEZNQCLSA-N 0 1 382.420 3.387 20 0 GGADMN O[C@@H](CN1CCCC[C@@H]1c1ccc(F)cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683111 607271750 /nfs/dbraw/zinc/27/17/50/607271750.db2.gz YUJJINUFEXGEOX-MOPGFXCFSA-N 0 1 385.418 3.406 20 0 GGADMN CCOC(=O)c1sc(NC(=O)/C=C\C2CCCCC2)c(-c2nn[nH]n2)c1C ZINC000736605259 599245890 /nfs/dbraw/zinc/24/58/90/599245890.db2.gz IBUUMTAUPGXFLY-KTKRTIGZSA-N 0 1 389.481 3.488 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000666523883 597217259 /nfs/dbraw/zinc/21/72/59/597217259.db2.gz MMYXVQWAQZHTML-LJQANCHMSA-N 0 1 381.476 3.096 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2)cc1F ZINC000819012279 597217383 /nfs/dbraw/zinc/21/73/83/597217383.db2.gz CWNDQMVESQWYHT-UHFFFAOYSA-N 0 1 382.395 3.017 20 0 GGADMN Cc1c(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cccc1-c1nn[nH]n1 ZINC000822096485 607287509 /nfs/dbraw/zinc/28/75/09/607287509.db2.gz OFTOOIDSVNGYKI-KRWDZBQOSA-N 0 1 395.467 3.117 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000819617772 597321791 /nfs/dbraw/zinc/32/17/91/597321791.db2.gz BSJPHUVQJAIVJJ-IBGZPJMESA-N 0 1 381.476 3.490 20 0 GGADMN CC[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000818140770 597324658 /nfs/dbraw/zinc/32/46/58/597324658.db2.gz KTUULXNSXDHBFJ-LJQANCHMSA-N 0 1 381.476 3.272 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000819618007 597330281 /nfs/dbraw/zinc/33/02/81/597330281.db2.gz JZMWTSHMJAZPKQ-OAHLLOKOSA-N 0 1 387.505 3.409 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000818374416 597338786 /nfs/dbraw/zinc/33/87/86/597338786.db2.gz NBNVGLVNCSZTAF-KRWDZBQOSA-N 0 1 375.856 3.392 20 0 GGADMN c1coc([C@H](CNc2cc(-c3nn[n-]n3)nc3ccccc32)[NH+]2CCCC2)c1 ZINC000738447063 599258373 /nfs/dbraw/zinc/25/83/73/599258373.db2.gz BHEKPDBMILEPSW-SFHVURJKSA-N 0 1 375.436 3.257 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)N2CCCC2)o1 ZINC000822230482 607292851 /nfs/dbraw/zinc/29/28/51/607292851.db2.gz HWOWUSKCGCUBHV-QGZVFWFLSA-N 0 1 395.467 3.035 20 0 GGADMN CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818368869 597412567 /nfs/dbraw/zinc/41/25/67/597412567.db2.gz LJETVZIHPKZGMO-IBGZPJMESA-N 0 1 381.476 3.442 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000820949358 597716062 /nfs/dbraw/zinc/71/60/62/597716062.db2.gz RYBPOUXQCRSGGR-CQSZACIVSA-N 0 1 383.286 3.334 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000820949376 597716435 /nfs/dbraw/zinc/71/64/35/597716435.db2.gz UMEFJTBCQUYXFE-CYBMUJFWSA-N 0 1 383.286 3.191 20 0 GGADMN CCC1(C)CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736396926 598254687 /nfs/dbraw/zinc/25/46/87/598254687.db2.gz PYATZFRKSOXBER-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000737235277 598332213 /nfs/dbraw/zinc/33/22/13/598332213.db2.gz UAJMXJCETVELHT-UHFFFAOYSA-N 0 1 375.436 3.102 20 0 GGADMN COc1ccc([C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)N2CCCC2)cc1 ZINC000737075595 598386155 /nfs/dbraw/zinc/38/61/55/598386155.db2.gz NFUYFQFRNVWBAT-KRWDZBQOSA-N 0 1 399.886 3.173 20 0 GGADMN CCCN(C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000736469760 598408556 /nfs/dbraw/zinc/40/85/56/598408556.db2.gz CPXUNYVRVFYXDX-UHFFFAOYSA-N 0 1 394.479 3.034 20 0 GGADMN CCc1ccc(CC)c(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000736681626 598502438 /nfs/dbraw/zinc/50/24/38/598502438.db2.gz CWGYSQBJITWGFW-UHFFFAOYSA-N 0 1 387.443 3.189 20 0 GGADMN Cc1ccc(-c2nc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)co2)cc1 ZINC000737287653 598504000 /nfs/dbraw/zinc/50/40/00/598504000.db2.gz HFTLZPGTLCNRFR-UHFFFAOYSA-N 0 1 384.399 3.193 20 0 GGADMN O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738388916 598507772 /nfs/dbraw/zinc/50/77/72/598507772.db2.gz ULNZIRVYJZMVFX-IBGZPJMESA-N 0 1 385.418 3.091 20 0 GGADMN CCN(CC)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000736532807 598549650 /nfs/dbraw/zinc/54/96/50/598549650.db2.gz DAVFNIBGYRPJBY-UHFFFAOYSA-N 0 1 394.479 3.034 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNc3ccc(F)cc3-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000736288146 598632901 /nfs/dbraw/zinc/63/29/01/598632901.db2.gz RBVHHDKCYDSGGB-HUUCEWRRSA-N 0 1 396.470 3.227 20 0 GGADMN O=C(Nc1nc(Sc2ccccc2)ns1)c1sccc1-c1nn[nH]n1 ZINC000738208715 598690617 /nfs/dbraw/zinc/69/06/17/598690617.db2.gz GSXKVSKQQJBQRV-UHFFFAOYSA-N 0 1 387.475 3.183 20 0 GGADMN C[C@H](NC(=O)C=Cc1ccccc1-c1nn[nH]n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736100953 598742559 /nfs/dbraw/zinc/74/25/59/598742559.db2.gz LSQOSIMEQYQCLS-WDDYJBPVSA-N 0 1 393.838 3.287 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000736136050 598786803 /nfs/dbraw/zinc/78/68/03/598786803.db2.gz ZMCKJVLHXYCMIH-RYUDHWBXSA-N 0 1 393.476 3.154 20 0 GGADMN COC[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736979184 599333753 /nfs/dbraw/zinc/33/37/53/599333753.db2.gz SDIHCVSFPCJLJG-INIZCTEOSA-N 0 1 377.370 3.363 20 0 GGADMN C[C@H](NCCOc1ccc(-c2nn[nH]n2)cc1)c1nc2ccccc2n1C(F)F ZINC000820420460 599382465 /nfs/dbraw/zinc/38/24/65/599382465.db2.gz RIZNHROZQDOLNY-LBPRGKRZSA-N 0 1 399.405 3.341 20 0 GGADMN COc1ccc(Br)cc1CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821769365 599395107 /nfs/dbraw/zinc/39/51/07/599395107.db2.gz HAELMBPTKKNHMU-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN FC(F)(F)[C@@H]1CC([NH2+]Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](C(F)(F)F)C1 ZINC000822714945 599399597 /nfs/dbraw/zinc/39/95/97/599399597.db2.gz WVDNIJZOTVHIJS-YUMQZZPRSA-N 0 1 383.296 3.459 20 0 GGADMN Clc1cccc(C[N@@H+]2CCCC[C@@H]2CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737575316 599435381 /nfs/dbraw/zinc/43/53/81/599435381.db2.gz QSWKMLMXSIKDOP-MRXNPFEDSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1cccc(C[N@H+]2CCCC[C@@H]2CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737575316 599435384 /nfs/dbraw/zinc/43/53/84/599435384.db2.gz QSWKMLMXSIKDOP-MRXNPFEDSA-N 0 1 383.887 3.382 20 0 GGADMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821563738 599444793 /nfs/dbraw/zinc/44/47/93/599444793.db2.gz CTFQGTKYPJHIDH-CYBMUJFWSA-N 0 1 377.452 3.096 20 0 GGADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[NH+](CC2CCCCC2)CC1 ZINC000823792595 599502484 /nfs/dbraw/zinc/50/24/84/599502484.db2.gz YTPZRLUUDLZIKC-UHFFFAOYSA-N 0 1 377.496 3.117 20 0 GGADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[NH+](CC2CCCCC2)CC1 ZINC000823792595 599502486 /nfs/dbraw/zinc/50/24/86/599502486.db2.gz YTPZRLUUDLZIKC-UHFFFAOYSA-N 0 1 377.496 3.117 20 0 GGADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CC[NH+](CC2CCCC2)CC1 ZINC000823796721 599505257 /nfs/dbraw/zinc/50/52/57/599505257.db2.gz FFFRXGPFWNKMMB-UHFFFAOYSA-N 0 1 377.496 3.481 20 0 GGADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CC[NH+](CC2CCCC2)CC1 ZINC000823796721 599505260 /nfs/dbraw/zinc/50/52/60/599505260.db2.gz FFFRXGPFWNKMMB-UHFFFAOYSA-N 0 1 377.496 3.481 20 0 GGADMN Cc1cccc(NC[C@@H]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)C2)n1 ZINC000822323657 599511195 /nfs/dbraw/zinc/51/11/95/599511195.db2.gz LSCLRVGKYQKOGE-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN Cc1ccnc(NC[C@@H]2CCN(c3cc(-c4nn[nH]n4)nc4ccccc43)C2)c1 ZINC000822374504 599512080 /nfs/dbraw/zinc/51/20/80/599512080.db2.gz ZTQNNVUAPNKWQS-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H]1CN(Cc2cccc(Nc3cccc(F)c3-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000736291700 599526139 /nfs/dbraw/zinc/52/61/39/599526139.db2.gz YBJRQZZNWJQVHT-KBPBESRZSA-N 0 1 382.443 3.359 20 0 GGADMN Cc1cc(C)cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c1 ZINC000737250448 599560109 /nfs/dbraw/zinc/56/01/09/599560109.db2.gz MMOCWBFRPZFLTG-UHFFFAOYSA-N 0 1 397.382 3.303 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)cc1C ZINC000737362106 599561017 /nfs/dbraw/zinc/56/10/17/599561017.db2.gz NJTSZTBFIUJSBS-UHFFFAOYSA-N 0 1 397.382 3.303 20 0 GGADMN O[C@H](CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(Cl)c1 ZINC000823675765 599572109 /nfs/dbraw/zinc/57/21/09/599572109.db2.gz ZIQKHENVXXLMDM-LJQANCHMSA-N 0 1 399.882 3.097 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737419520 599585069 /nfs/dbraw/zinc/58/50/69/599585069.db2.gz DEBODMBACVOWEQ-ZIAGYGMSSA-N 0 1 382.493 3.053 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000821446632 599590790 /nfs/dbraw/zinc/59/07/90/599590790.db2.gz BPKLCJKNSJOGTM-LSDHHAIUSA-N 0 1 385.497 3.023 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820913870 599641097 /nfs/dbraw/zinc/64/10/97/599641097.db2.gz LGBBRMARPUHVOM-HNNXBMFYSA-N 0 1 384.509 3.128 20 0 GGADMN Cc1ccc(C(C)(C)CN(C)[C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000822227411 599641718 /nfs/dbraw/zinc/64/17/18/599641718.db2.gz HJWHERJMMKDTBL-MRXNPFEDSA-N 0 1 392.507 3.412 20 0 GGADMN CCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649453771 599702608 /nfs/dbraw/zinc/70/26/08/599702608.db2.gz GKGZNSNZBJIHJD-LJQANCHMSA-N 0 1 381.476 3.297 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000261907216 599704898 /nfs/dbraw/zinc/70/48/98/599704898.db2.gz GBQWWBDJUKYWAF-KBPBESRZSA-N 0 1 386.423 3.385 20 0 GGADMN CCOCC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000568065765 599708343 /nfs/dbraw/zinc/70/83/43/599708343.db2.gz FTLMILNLRQUCCI-UHFFFAOYSA-N 0 1 381.812 3.399 20 0 GGADMN CCOCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000568065765 599708345 /nfs/dbraw/zinc/70/83/45/599708345.db2.gz FTLMILNLRQUCCI-UHFFFAOYSA-N 0 1 381.812 3.399 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000739626020 599709304 /nfs/dbraw/zinc/70/93/04/599709304.db2.gz RKVVCLHNTAOSDJ-DENIHFKCSA-N 0 1 392.499 3.294 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000737864187 599709461 /nfs/dbraw/zinc/70/94/61/599709461.db2.gz FUNUQDKNOFGICM-AZUAARDMSA-N 0 1 399.487 3.403 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000737864198 599709516 /nfs/dbraw/zinc/70/95/16/599709516.db2.gz FUNUQDKNOFGICM-UYAOXDASSA-N 0 1 399.487 3.403 20 0 GGADMN CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000736345142 599715338 /nfs/dbraw/zinc/71/53/38/599715338.db2.gz LNGSEHPSARSUHP-LBPRGKRZSA-N 0 1 378.469 3.475 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000736896162 599715801 /nfs/dbraw/zinc/71/58/01/599715801.db2.gz ZEFOHEKQHKTRFF-QGZVFWFLSA-N 0 1 396.463 3.174 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000736896161 599716030 /nfs/dbraw/zinc/71/60/30/599716030.db2.gz ZEFOHEKQHKTRFF-KRWDZBQOSA-N 0 1 396.463 3.174 20 0 GGADMN COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263573191 599716471 /nfs/dbraw/zinc/71/64/71/599716471.db2.gz MAHWPVMWFCHYLM-UHFFFAOYSA-N 0 1 396.487 3.061 20 0 GGADMN C[N@H+](CCc1cccc2ccccc21)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000737447197 599717075 /nfs/dbraw/zinc/71/70/75/599717075.db2.gz PIKWNBKGSUGONS-UHFFFAOYSA-N 0 1 383.473 3.036 20 0 GGADMN C[N@@H+](CCc1cccc2ccccc21)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000737447197 599717076 /nfs/dbraw/zinc/71/70/76/599717076.db2.gz PIKWNBKGSUGONS-UHFFFAOYSA-N 0 1 383.473 3.036 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000737441384 599718282 /nfs/dbraw/zinc/71/82/82/599718282.db2.gz UCOBZPUMMLIYIP-UHFFFAOYSA-N 0 1 399.491 3.110 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1F ZINC000740009053 599718588 /nfs/dbraw/zinc/71/85/88/599718588.db2.gz WFCCOPGYFHDLHO-UHFFFAOYSA-N 0 1 378.429 3.157 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)NCC[N@H+]2CCc3sccc3C2)ccc1F ZINC000740009053 599718590 /nfs/dbraw/zinc/71/85/90/599718590.db2.gz WFCCOPGYFHDLHO-UHFFFAOYSA-N 0 1 378.429 3.157 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCCN(C)C(=O)[O-])cc2)C1 ZINC000736754213 599734119 /nfs/dbraw/zinc/73/41/19/599734119.db2.gz AMYLEWPPJJVNKZ-CALCHBBNSA-N 0 1 375.513 3.171 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCCN(C)C(=O)[O-])C1 ZINC000736756935 599734843 /nfs/dbraw/zinc/73/48/43/599734843.db2.gz XVVGTOZIVVAWBY-CALCHBBNSA-N 0 1 375.513 3.171 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000738894573 599740130 /nfs/dbraw/zinc/74/01/30/599740130.db2.gz KYMRKBTVJPFZOE-HNNXBMFYSA-N 0 1 394.269 3.066 20 0 GGADMN C[C@@H](CNC(=O)c1ccccc1SCc1occc1C(=O)[O-])[N@@H+](C)C1CC1 ZINC000736603895 599749754 /nfs/dbraw/zinc/74/97/54/599749754.db2.gz BAAIGZWXWLKUGJ-ZDUSSCGKSA-N 0 1 388.489 3.483 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000737681816 599753345 /nfs/dbraw/zinc/75/33/45/599753345.db2.gz KYRJBRGLEOBTCT-KRWDZBQOSA-N 0 1 396.443 3.022 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000737681819 599753440 /nfs/dbraw/zinc/75/34/40/599753440.db2.gz KYRJBRGLEOBTCT-QGZVFWFLSA-N 0 1 396.443 3.022 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(N)=O)cc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737487723 599770563 /nfs/dbraw/zinc/77/05/63/599770563.db2.gz SIMSPLDAVMMDLD-KRWDZBQOSA-N 0 1 397.258 3.115 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(N)=O)cc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737487724 599770603 /nfs/dbraw/zinc/77/06/03/599770603.db2.gz SIMSPLDAVMMDLD-QGZVFWFLSA-N 0 1 397.258 3.115 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000737507625 599773386 /nfs/dbraw/zinc/77/33/86/599773386.db2.gz ALMVLPUTEMJXHB-CQSZACIVSA-N 0 1 388.489 3.294 20 0 GGADMN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000737507622 599773491 /nfs/dbraw/zinc/77/34/91/599773491.db2.gz ALMVLPUTEMJXHB-AWEZNQCLSA-N 0 1 388.489 3.294 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(N4CCCC4=O)CC3)cs2)cc1 ZINC000740096461 599797214 /nfs/dbraw/zinc/79/72/14/599797214.db2.gz AUJUWWQYGJFMCS-UHFFFAOYSA-N 0 1 385.489 3.095 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000738545396 599812023 /nfs/dbraw/zinc/81/20/23/599812023.db2.gz OVARPSKKQCCCLV-MRXNPFEDSA-N 0 1 384.398 3.166 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000738545396 599812025 /nfs/dbraw/zinc/81/20/25/599812025.db2.gz OVARPSKKQCCCLV-MRXNPFEDSA-N 0 1 384.398 3.166 20 0 GGADMN Cc1ccc(C[N@H+](C)CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)s1 ZINC000738593955 599812044 /nfs/dbraw/zinc/81/20/44/599812044.db2.gz IHOCKTGOCXXMCQ-GOSISDBHSA-N 0 1 385.489 3.223 20 0 GGADMN CC1(C)CN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000736735338 599818014 /nfs/dbraw/zinc/81/80/14/599818014.db2.gz HHCPDIBHKKGPBM-UHFFFAOYSA-N 0 1 397.475 3.278 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736597831 599823307 /nfs/dbraw/zinc/82/33/07/599823307.db2.gz ASVQHHNKUXTLRH-MRXNPFEDSA-N 0 1 381.476 3.272 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000739761320 599827847 /nfs/dbraw/zinc/82/78/47/599827847.db2.gz SXPFSZGFFRAAEI-UHFFFAOYSA-N 0 1 381.476 3.444 20 0 GGADMN CC1(C)CN(C(=O)NCCCCCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000382603494 599831336 /nfs/dbraw/zinc/83/13/36/599831336.db2.gz DBRZOGBELVEBED-UHFFFAOYSA-N 0 1 375.513 3.328 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000736474404 599833755 /nfs/dbraw/zinc/83/37/55/599833755.db2.gz MBWMWDUBLVBGTM-OAHLLOKOSA-N 0 1 398.507 3.054 20 0 GGADMN CC(=O)c1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000736192645 599864283 /nfs/dbraw/zinc/86/42/83/599864283.db2.gz LOECJPHNQWCXGQ-UHFFFAOYSA-N 0 1 390.386 3.083 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736789544 599864498 /nfs/dbraw/zinc/86/44/98/599864498.db2.gz OQJMYOIROZCYFV-APWZRJJASA-N 0 1 388.512 3.003 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736886960 599878433 /nfs/dbraw/zinc/87/84/33/599878433.db2.gz QJJWAYSAUYYZPD-KNXBSLHKSA-N 0 1 380.488 3.250 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736886960 599878434 /nfs/dbraw/zinc/87/84/34/599878434.db2.gz QJJWAYSAUYYZPD-KNXBSLHKSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736414538 599878461 /nfs/dbraw/zinc/87/84/61/599878461.db2.gz YTUAYWGGARIMSW-IFMALSPDSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C(=O)[O-] ZINC000736414538 599878463 /nfs/dbraw/zinc/87/84/63/599878463.db2.gz YTUAYWGGARIMSW-IFMALSPDSA-N 0 1 380.488 3.250 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000739754691 599880957 /nfs/dbraw/zinc/88/09/57/599880957.db2.gz YSCZOKJHZULVDZ-KRWDZBQOSA-N 0 1 377.510 3.000 20 0 GGADMN COc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])o2)cc1 ZINC000737914014 599888309 /nfs/dbraw/zinc/88/83/09/599888309.db2.gz RAXXOKDHHAXMSQ-HNNXBMFYSA-N 0 1 381.432 3.468 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000738519555 599894291 /nfs/dbraw/zinc/89/42/91/599894291.db2.gz SOLYVGCGHLNLPL-OXJNMPFZSA-N 0 1 382.460 3.484 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000738519555 599894293 /nfs/dbraw/zinc/89/42/93/599894293.db2.gz SOLYVGCGHLNLPL-OXJNMPFZSA-N 0 1 382.460 3.484 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739626686 599894660 /nfs/dbraw/zinc/89/46/60/599894660.db2.gz UOYZVWVESRBSSP-INIZCTEOSA-N 0 1 386.249 3.108 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739626686 599894661 /nfs/dbraw/zinc/89/46/61/599894661.db2.gz UOYZVWVESRBSSP-INIZCTEOSA-N 0 1 386.249 3.108 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000736756869 599914504 /nfs/dbraw/zinc/91/45/04/599914504.db2.gz WZWJISCQCAEDCP-FCEWJHQRSA-N 0 1 375.513 3.073 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000738002675 599929494 /nfs/dbraw/zinc/92/94/94/599929494.db2.gz FTOLDLSVLOWBII-UHFFFAOYSA-N 0 1 383.448 3.133 20 0 GGADMN O=C([O-])Nc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000740028868 599931919 /nfs/dbraw/zinc/93/19/19/599931919.db2.gz JJISGIOFJKCMIE-UHFFFAOYSA-N 0 1 389.402 3.449 20 0 GGADMN C[C@H](C[N@@H+](Cn1nc2c3c1cccc3C(=O)c1ccccc1-2)C1CC1)C(=O)[O-] ZINC000736580911 599935277 /nfs/dbraw/zinc/93/52/77/599935277.db2.gz FFDACLCHPNMYDS-CYBMUJFWSA-N 0 1 375.428 3.390 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1)C(=O)[O-] ZINC000736579162 599948990 /nfs/dbraw/zinc/94/89/90/599948990.db2.gz QMWZBXMVTDNBTD-VIFPVBQESA-N 0 1 378.778 3.482 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570305 599951637 /nfs/dbraw/zinc/95/16/37/599951637.db2.gz YYFNBSKFUDFDEY-FOIQADDNSA-N 0 1 386.517 3.447 20 0 GGADMN C[C@H](C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C1CC1)C(=O)[O-] ZINC000736581001 599951660 /nfs/dbraw/zinc/95/16/60/599951660.db2.gz HAJUTCQUNXMCDV-SNVBAGLBSA-N 0 1 380.242 3.184 20 0 GGADMN C[C@H](C[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CC1)C(=O)[O-] ZINC000736584382 599952048 /nfs/dbraw/zinc/95/20/48/599952048.db2.gz XGUZFYPYPJZDIR-MRVPVSSYSA-N 0 1 386.271 3.246 20 0 GGADMN CC1(C)C[N@H+](C2(CNC(=O)Nc3ccc(C(=O)[O-])cc3)CCCCC2)CCO1 ZINC000736736110 599955219 /nfs/dbraw/zinc/95/52/19/599955219.db2.gz WBGDPYDKPBPFMF-UHFFFAOYSA-N 0 1 389.496 3.320 20 0 GGADMN CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC[N@H+]1CCOC ZINC000736943353 599960554 /nfs/dbraw/zinc/96/05/54/599960554.db2.gz LFMYNUGEVPKYTA-CYBMUJFWSA-N 0 1 380.485 3.281 20 0 GGADMN CC[C@@H]1C[N@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CCN1CCOC ZINC000736943353 599960555 /nfs/dbraw/zinc/96/05/55/599960555.db2.gz LFMYNUGEVPKYTA-CYBMUJFWSA-N 0 1 380.485 3.281 20 0 GGADMN Cc1sc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c(C(=O)[O-])c1C ZINC000738399470 599963969 /nfs/dbraw/zinc/96/39/69/599963969.db2.gz RJAWUBOBBDNTFG-UHFFFAOYSA-N 0 1 381.542 3.054 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000740077087 599965338 /nfs/dbraw/zinc/96/53/38/599965338.db2.gz BKBCWRRYQSOVRB-UHFFFAOYSA-N 0 1 394.450 3.027 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1Br ZINC000321091029 599966675 /nfs/dbraw/zinc/96/66/75/599966675.db2.gz KAWNDAMAKAZJCH-MRXNPFEDSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1Br ZINC000321091029 599966677 /nfs/dbraw/zinc/96/66/77/599966677.db2.gz KAWNDAMAKAZJCH-MRXNPFEDSA-N 0 1 376.250 3.469 20 0 GGADMN Cc1cnn(C[C@H]2C[N@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)c1 ZINC000738334517 599972083 /nfs/dbraw/zinc/97/20/83/599972083.db2.gz SPUBGKPHAPGOPR-CYBMUJFWSA-N 0 1 389.452 3.145 20 0 GGADMN Cc1cnn(C[C@H]2C[N@@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)c1 ZINC000738334517 599972084 /nfs/dbraw/zinc/97/20/84/599972084.db2.gz SPUBGKPHAPGOPR-CYBMUJFWSA-N 0 1 389.452 3.145 20 0 GGADMN Cc1cc(C)n(C[C@H]2C[N@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)n1 ZINC000738369698 599972227 /nfs/dbraw/zinc/97/22/27/599972227.db2.gz PPMQOXCILITWPS-OAHLLOKOSA-N 0 1 385.489 3.314 20 0 GGADMN Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])CCO2)n1 ZINC000738369698 599972230 /nfs/dbraw/zinc/97/22/30/599972230.db2.gz PPMQOXCILITWPS-OAHLLOKOSA-N 0 1 385.489 3.314 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516825 599973755 /nfs/dbraw/zinc/97/37/55/599973755.db2.gz BLIREULDVJYPRE-QAPCUYQASA-N 0 1 384.480 3.208 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516825 599973759 /nfs/dbraw/zinc/97/37/59/599973759.db2.gz BLIREULDVJYPRE-QAPCUYQASA-N 0 1 384.480 3.208 20 0 GGADMN CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284358 599975949 /nfs/dbraw/zinc/97/59/49/599975949.db2.gz HXVRTKXFRHVVNW-NVXWUHKLSA-N 0 1 384.480 3.116 20 0 GGADMN CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284356 599976004 /nfs/dbraw/zinc/97/60/04/599976004.db2.gz HXVRTKXFRHVVNW-DOTOQJQBSA-N 0 1 384.480 3.116 20 0 GGADMN Cc1cc(C)n([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370804 599976835 /nfs/dbraw/zinc/97/68/35/599976835.db2.gz UOBVVFSGYSBLIT-FUHWJXTLSA-N 0 1 384.480 3.171 20 0 GGADMN Cc1cc(C)n([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370804 599976837 /nfs/dbraw/zinc/97/68/37/599976837.db2.gz UOBVVFSGYSBLIT-FUHWJXTLSA-N 0 1 384.480 3.171 20 0 GGADMN CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000737067315 599980052 /nfs/dbraw/zinc/98/00/52/599980052.db2.gz JMVWRANOVNMWKA-MRXNPFEDSA-N 0 1 384.476 3.309 20 0 GGADMN CC[N@H+](C)[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC000737069009 599988053 /nfs/dbraw/zinc/98/80/53/599988053.db2.gz NCYZLMXSTBVMFO-MRXNPFEDSA-N 0 1 384.461 3.468 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC000737069009 599988055 /nfs/dbraw/zinc/98/80/55/599988055.db2.gz NCYZLMXSTBVMFO-MRXNPFEDSA-N 0 1 384.461 3.468 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127468 599992854 /nfs/dbraw/zinc/99/28/54/599992854.db2.gz KMNUJKAFPOLPFH-XLIONFOSSA-N 0 1 385.460 3.360 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000737869270 599992981 /nfs/dbraw/zinc/99/29/81/599992981.db2.gz ZBKAGEVSRMUXLI-AZUAARDMSA-N 0 1 399.487 3.088 20 0 GGADMN Cc1nc(Cl)cc(N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000738858694 599993292 /nfs/dbraw/zinc/99/32/92/599993292.db2.gz KRVDTILEQDRJOW-MRXNPFEDSA-N 0 1 381.263 3.040 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccnc1Cl)CC2 ZINC000737905226 599993701 /nfs/dbraw/zinc/99/37/01/599993701.db2.gz HWQTYJPUUHMXMG-OAHLLOKOSA-N 0 1 376.840 3.326 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccnc1Cl)CC2 ZINC000737905226 599993702 /nfs/dbraw/zinc/99/37/02/599993702.db2.gz HWQTYJPUUHMXMG-OAHLLOKOSA-N 0 1 376.840 3.326 20 0 GGADMN COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000737933614 600002588 /nfs/dbraw/zinc/00/25/88/600002588.db2.gz QRSONVRWZPZLBA-GJZGRUSLSA-N 0 1 398.459 3.255 20 0 GGADMN CCc1[nH]c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000737244609 600002928 /nfs/dbraw/zinc/00/29/28/600002928.db2.gz QBTFVAQTXHQLDO-AWEZNQCLSA-N 0 1 385.464 3.229 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000739272858 600005343 /nfs/dbraw/zinc/00/53/43/600005343.db2.gz GDSBQAHRFCACQY-GDLCADMTSA-N 0 1 377.441 3.092 20 0 GGADMN CN(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000737332034 600009512 /nfs/dbraw/zinc/00/95/12/600009512.db2.gz NDOFHMZPSMXSGZ-GOSISDBHSA-N 0 1 396.491 3.487 20 0 GGADMN CN(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000737332036 600009735 /nfs/dbraw/zinc/00/97/35/600009735.db2.gz NDOFHMZPSMXSGZ-SFHVURJKSA-N 0 1 396.491 3.487 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263097549 600014538 /nfs/dbraw/zinc/01/45/38/600014538.db2.gz WDUGWKKHBJMLFH-ZRZPHAQCSA-N 0 1 387.524 3.361 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736457186 600014936 /nfs/dbraw/zinc/01/49/36/600014936.db2.gz APNKZVJHVWNUHX-UHFFFAOYSA-N 0 1 381.476 3.450 20 0 GGADMN CC[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000736903967 600016134 /nfs/dbraw/zinc/01/61/34/600016134.db2.gz DSALXOOHPGUYKS-NRFANRHFSA-N 0 1 393.487 3.247 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)cc1 ZINC000738002672 600016483 /nfs/dbraw/zinc/01/64/83/600016483.db2.gz FOUXDTPWOYPGIL-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000740203438 600017494 /nfs/dbraw/zinc/01/74/94/600017494.db2.gz NJPIIUUWTLUJTL-FQEVSTJZSA-N 0 1 379.460 3.075 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000736793045 600020793 /nfs/dbraw/zinc/02/07/93/600020793.db2.gz IREUNQZPSXLNIV-HUUCEWRRSA-N 0 1 379.526 3.246 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC000740204950 600021179 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1 380.488 3.325 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000739256551 600042590 /nfs/dbraw/zinc/04/25/90/600042590.db2.gz NGZQAGCCYIIHHU-NRFANRHFSA-N 0 1 380.488 3.488 20 0 GGADMN CC(C)c1ccc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000736514093 600045460 /nfs/dbraw/zinc/04/54/60/600045460.db2.gz LVFKTICSVUNNGF-NRFANRHFSA-N 0 1 380.488 3.280 20 0 GGADMN CC(C)c1ccc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000736514093 600045461 /nfs/dbraw/zinc/04/54/61/600045461.db2.gz LVFKTICSVUNNGF-NRFANRHFSA-N 0 1 380.488 3.280 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000739286114 600046377 /nfs/dbraw/zinc/04/63/77/600046377.db2.gz NRGVDWSRMNHNTE-QZTJIDSGSA-N 0 1 397.500 3.178 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000739286114 600046379 /nfs/dbraw/zinc/04/63/79/600046379.db2.gz NRGVDWSRMNHNTE-QZTJIDSGSA-N 0 1 397.500 3.178 20 0 GGADMN CN(CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)[O-] ZINC000737426109 600046891 /nfs/dbraw/zinc/04/68/91/600046891.db2.gz NSDNNXLGANKTLO-KRWDZBQOSA-N 0 1 381.904 3.201 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000736367129 600047199 /nfs/dbraw/zinc/04/71/99/600047199.db2.gz HTZRGNSASIQOPQ-DLBZAZTESA-N 0 1 381.904 3.103 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000736367129 600047201 /nfs/dbraw/zinc/04/72/01/600047201.db2.gz HTZRGNSASIQOPQ-DLBZAZTESA-N 0 1 381.904 3.103 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878864 600047352 /nfs/dbraw/zinc/04/73/52/600047352.db2.gz NOMMYJXQPIBWAI-PMUMKWKESA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878864 600047356 /nfs/dbraw/zinc/04/73/56/600047356.db2.gz NOMMYJXQPIBWAI-PMUMKWKESA-N 0 1 389.521 3.091 20 0 GGADMN C[N@H+](CC(=O)NC1CC1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737393777 600049476 /nfs/dbraw/zinc/04/94/76/600049476.db2.gz PKCZZRMNRJMUNB-UHFFFAOYSA-N 0 1 389.455 3.310 20 0 GGADMN C[N@@H+](CC(=O)NC1CC1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000737393777 600049478 /nfs/dbraw/zinc/04/94/78/600049478.db2.gz PKCZZRMNRJMUNB-UHFFFAOYSA-N 0 1 389.455 3.310 20 0 GGADMN COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000738048074 600049653 /nfs/dbraw/zinc/04/96/53/600049653.db2.gz KOXFUUQPWWOSMP-LLVKDONJSA-N 0 1 392.477 3.370 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[O-])c1 ZINC000237668353 600065924 /nfs/dbraw/zinc/06/59/24/600065924.db2.gz HPKNTPRWGSTEQG-SFTDATJTSA-N 0 1 380.488 3.019 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739256922 600066143 /nfs/dbraw/zinc/06/61/43/600066143.db2.gz QPCOXHAXVXJHKN-HXUWFJFHSA-N 0 1 380.488 3.346 20 0 GGADMN CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736735473 600070515 /nfs/dbraw/zinc/07/05/15/600070515.db2.gz MNDQDHWWASIDHA-UHFFFAOYSA-N 0 1 380.488 3.440 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737113180 600073928 /nfs/dbraw/zinc/07/39/28/600073928.db2.gz BMWUNYMFGKHKQU-NRFANRHFSA-N 0 1 395.503 3.226 20 0 GGADMN O=C([O-])CSCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000739847663 600074499 /nfs/dbraw/zinc/07/44/99/600074499.db2.gz ZBIHVLHCNGVPMT-INIZCTEOSA-N 0 1 384.929 3.019 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(c3nc(Cl)c(C(=O)[O-])s3)CC2)c1 ZINC000738089246 600079864 /nfs/dbraw/zinc/07/98/64/600079864.db2.gz CRADRIBGOMMMTM-LLVKDONJSA-N 0 1 381.885 3.387 20 0 GGADMN C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791173 600082186 /nfs/dbraw/zinc/08/21/86/600082186.db2.gz UWRULCZMOYIETE-ZRHASKPBSA-N 0 1 383.444 3.182 20 0 GGADMN C/C=C\c1ccc(OC[C@H](O)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791173 600082189 /nfs/dbraw/zinc/08/21/89/600082189.db2.gz UWRULCZMOYIETE-ZRHASKPBSA-N 0 1 383.444 3.182 20 0 GGADMN CCc1csc([C@H]2CCC[N@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000737274286 600092227 /nfs/dbraw/zinc/09/22/27/600092227.db2.gz GPKITZMREQFCNQ-ZDUSSCGKSA-N 0 1 375.494 3.411 20 0 GGADMN CCc1csc([C@H]2CCC[N@@H+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000737274286 600092229 /nfs/dbraw/zinc/09/22/29/600092229.db2.gz GPKITZMREQFCNQ-ZDUSSCGKSA-N 0 1 375.494 3.411 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)nc2c1 ZINC000740187695 600092797 /nfs/dbraw/zinc/09/27/97/600092797.db2.gz GLKFOWMUNPAATH-QUCCMNQESA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)nc2c1 ZINC000740187695 600092799 /nfs/dbraw/zinc/09/27/99/600092799.db2.gz GLKFOWMUNPAATH-QUCCMNQESA-N 0 1 393.443 3.122 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000737441582 600097146 /nfs/dbraw/zinc/09/71/46/600097146.db2.gz XOAJZVBCQZNTLR-UHFFFAOYSA-N 0 1 392.459 3.278 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000739471631 600099962 /nfs/dbraw/zinc/09/99/62/600099962.db2.gz OHDVXWRBQNEFIA-INIZCTEOSA-N 0 1 375.375 3.059 20 0 GGADMN O=C([O-])c1ccc(CCc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000740123689 600109845 /nfs/dbraw/zinc/10/98/45/600109845.db2.gz HDVGTUZCDNFQKD-UHFFFAOYSA-N 0 1 393.443 3.052 20 0 GGADMN C[C@H](OC[C@@H](O)C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790581 600110372 /nfs/dbraw/zinc/11/03/72/600110372.db2.gz BOMINWAXENEXOW-DJJJIMSYSA-N 0 1 375.852 3.493 20 0 GGADMN C[C@H](OC[C@@H](O)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790581 600110373 /nfs/dbraw/zinc/11/03/73/600110373.db2.gz BOMINWAXENEXOW-DJJJIMSYSA-N 0 1 375.852 3.493 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000740202027 600110759 /nfs/dbraw/zinc/11/07/59/600110759.db2.gz HEEXVVCVSFXCOU-CQSZACIVSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000740202027 600110761 /nfs/dbraw/zinc/11/07/61/600110761.db2.gz HEEXVVCVSFXCOU-CQSZACIVSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)C2 ZINC000740199611 600115335 /nfs/dbraw/zinc/11/53/35/600115335.db2.gz UFOUYJUYYUXRSQ-UHFFFAOYSA-N 0 1 397.500 3.481 20 0 GGADMN CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736473666 600123690 /nfs/dbraw/zinc/12/36/90/600123690.db2.gz CBCLWUCOZKJNRO-MRXNPFEDSA-N 0 1 379.526 3.246 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000739754501 600124578 /nfs/dbraw/zinc/12/45/78/600124578.db2.gz SWQKEEDIHMRJHB-SJORKVTESA-N 0 1 377.510 3.143 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000739754417 600124598 /nfs/dbraw/zinc/12/45/98/600124598.db2.gz PKFLITNDPGCSIX-IAGOWNOFSA-N 0 1 377.510 3.143 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000262631580 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HFNTUDJXZBTOPL-UHFFFAOYSA-N 0 1 378.432 3.079 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000739277823 600143467 /nfs/dbraw/zinc/14/34/67/600143467.db2.gz HVVLIXQQVZJROG-UHFFFAOYSA-N 0 1 384.461 3.141 20 0 GGADMN CCC[C@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000736963634 600155477 /nfs/dbraw/zinc/15/54/77/600155477.db2.gz KBIITBCADWMVHT-AVRDEDQJSA-N 0 1 397.475 3.499 20 0 GGADMN CCC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000736963637 600155610 /nfs/dbraw/zinc/15/56/10/600155610.db2.gz KBIITBCADWMVHT-PGRDOPGGSA-N 0 1 397.475 3.499 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000738554104 600156320 /nfs/dbraw/zinc/15/63/20/600156320.db2.gz ILBOVOUBVUPIRP-LEWJYISDSA-N 0 1 380.488 3.192 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000737866477 600175668 /nfs/dbraw/zinc/17/56/68/600175668.db2.gz MUHIUCOZIUXVET-OAHLLOKOSA-N 0 1 397.830 3.058 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000737866477 600175670 /nfs/dbraw/zinc/17/56/70/600175670.db2.gz MUHIUCOZIUXVET-OAHLLOKOSA-N 0 1 397.830 3.058 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H](C)C1 ZINC000737166711 600180905 /nfs/dbraw/zinc/18/09/05/600180905.db2.gz JLPAROXUISLXFH-DYVFJYSZSA-N 0 1 397.903 3.297 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000737166117 600182042 /nfs/dbraw/zinc/18/20/42/600182042.db2.gz CGTIEOWBOQAVCX-YOEHRIQHSA-N 0 1 378.473 3.035 20 0 GGADMN CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313538 600193461 /nfs/dbraw/zinc/19/34/61/600193461.db2.gz KTWBRBYHQBJMPX-UYAOXDASSA-N 0 1 384.451 3.322 20 0 GGADMN O=C([O-])c1coc(COC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000740266947 600195664 /nfs/dbraw/zinc/19/56/64/600195664.db2.gz CZRJJMOIOVIXII-SFHVURJKSA-N 0 1 397.349 3.476 20 0 GGADMN O=C([O-])c1coc(COC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000740266945 600195681 /nfs/dbraw/zinc/19/56/81/600195681.db2.gz CZRJJMOIOVIXII-GOSISDBHSA-N 0 1 397.349 3.476 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000738217310 600209255 /nfs/dbraw/zinc/20/92/55/600209255.db2.gz YRLWRIRKJHUEJJ-QGZVFWFLSA-N 0 1 391.471 3.072 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000738217310 600209256 /nfs/dbraw/zinc/20/92/56/600209256.db2.gz YRLWRIRKJHUEJJ-QGZVFWFLSA-N 0 1 391.471 3.072 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+](C)[C@@H](C(=O)[O-])c3ccccc3)cc(=O)oc2c1 ZINC000736164835 600210153 /nfs/dbraw/zinc/21/01/53/600210153.db2.gz FYVWIKVHAFYEAI-HXUWFJFHSA-N 0 1 380.400 3.009 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+](C)[C@H](C(=O)[O-])c3ccccc3)cc(=O)oc2c1 ZINC000736164833 600210212 /nfs/dbraw/zinc/21/02/12/600210212.db2.gz FYVWIKVHAFYEAI-FQEVSTJZSA-N 0 1 380.400 3.009 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737407566 600212548 /nfs/dbraw/zinc/21/25/48/600212548.db2.gz BZEUVLVQSNJPBD-RHSMWYFYSA-N 0 1 384.259 3.491 20 0 GGADMN C[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737442006 600212638 /nfs/dbraw/zinc/21/26/38/600212638.db2.gz SZZYFIBWJQEZNQ-HXUWFJFHSA-N 0 1 396.468 3.106 20 0 GGADMN C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737408915 600212711 /nfs/dbraw/zinc/21/27/11/600212711.db2.gz QKAZIMCBAKEZEY-XJKSGUPXSA-N 0 1 384.259 3.491 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000737505087 600215780 /nfs/dbraw/zinc/21/57/80/600215780.db2.gz DDBLMEKOGWCEMS-HNAYVOBHSA-N 0 1 381.432 3.152 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2)C[C@H](C)O1 ZINC000736808863 600218331 /nfs/dbraw/zinc/21/83/31/600218331.db2.gz JWSACDBTIVRHAR-GQIGUUNPSA-N 0 1 394.471 3.124 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2)C[C@H](C)O1 ZINC000736808863 600218333 /nfs/dbraw/zinc/21/83/33/600218333.db2.gz JWSACDBTIVRHAR-GQIGUUNPSA-N 0 1 394.471 3.124 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582537 600218570 /nfs/dbraw/zinc/21/85/70/600218570.db2.gz KJHKRYLPUPDYIU-RBUKOAKNSA-N 0 1 395.459 3.018 20 0 GGADMN Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582537 600218571 /nfs/dbraw/zinc/21/85/71/600218571.db2.gz KJHKRYLPUPDYIU-RBUKOAKNSA-N 0 1 395.459 3.018 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@@H+]2CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)o1 ZINC000738581206 600218664 /nfs/dbraw/zinc/21/86/64/600218664.db2.gz CJTUPVBHTRQIKC-JXFKEZNVSA-N 0 1 395.459 3.460 20 0 GGADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(-c2nn[nH]n2)cs1 ZINC000826460035 607429563 /nfs/dbraw/zinc/42/95/63/607429563.db2.gz KOCKTJAMAPCHRY-UHFFFAOYSA-N 0 1 379.327 3.076 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000737867801 600225335 /nfs/dbraw/zinc/22/53/35/600225335.db2.gz QHFGEENWCYRWCK-XXBNENTESA-N 0 1 399.487 3.187 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000737862844 600225397 /nfs/dbraw/zinc/22/53/97/600225397.db2.gz AAQGWHIFHSTRKK-PMACEKPBSA-N 0 1 399.487 3.149 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000739285631 600233063 /nfs/dbraw/zinc/23/30/63/600233063.db2.gz HXQWQLMHQUOPTE-RTBURBONSA-N 0 1 395.459 3.100 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000739285631 600233064 /nfs/dbraw/zinc/23/30/64/600233064.db2.gz HXQWQLMHQUOPTE-RTBURBONSA-N 0 1 395.459 3.100 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736785878 600260411 /nfs/dbraw/zinc/26/04/11/600260411.db2.gz WQANQYDMCBODEH-ZWKOTPCHSA-N 0 1 397.519 3.453 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000568061329 600262273 /nfs/dbraw/zinc/26/22/73/600262273.db2.gz CAYAVOQYHGHYRX-CRAIPNDOSA-N 0 1 384.451 3.093 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000565366069 600262284 /nfs/dbraw/zinc/26/22/84/600262284.db2.gz NDZICDOUGBSKLB-KBXCAEBGSA-N 0 1 377.868 3.341 20 0 GGADMN CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(C(=O)[O-])c3)CC2)cs1 ZINC000517235732 600271773 /nfs/dbraw/zinc/27/17/73/600271773.db2.gz SDFCHUYSPHEAQG-UHFFFAOYSA-N 0 1 387.505 3.046 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000737284190 600277438 /nfs/dbraw/zinc/27/74/38/600277438.db2.gz DVBAVNHXOSTAHI-INIZCTEOSA-N 0 1 386.452 3.168 20 0 GGADMN CC(C)(C)C1CCC2(CC(=O)N(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)C2=O)CC1 ZINC000736256660 600278653 /nfs/dbraw/zinc/27/86/53/600278653.db2.gz OCVJYBDZHFZTCC-BXFSZVDSSA-N 0 1 390.524 3.112 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cn1nc(Cc3cccc(F)c3)oc1=S)CC2 ZINC000739536640 600278742 /nfs/dbraw/zinc/27/87/42/600278742.db2.gz OABDCDMACVIKCE-CQSZACIVSA-N 0 1 377.441 3.080 20 0 GGADMN COc1ccccc1-c1nn(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c(=S)o1 ZINC000738115684 600280546 /nfs/dbraw/zinc/28/05/46/600280546.db2.gz OFJRXXNKWKHFGU-ZDUSSCGKSA-N 0 1 375.450 3.025 20 0 GGADMN CCOc1ccccc1-c1nn(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c(=S)o1 ZINC000737213347 600280606 /nfs/dbraw/zinc/28/06/06/600280606.db2.gz QYIIBDXIYYIQOY-AWEZNQCLSA-N 0 1 389.477 3.415 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000738827013 600280613 /nfs/dbraw/zinc/28/06/13/600280613.db2.gz DSYXJQIIIUNBKJ-OAHLLOKOSA-N 0 1 393.285 3.303 20 0 GGADMN Cc1ccc(OCc2nn(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)c(=S)o2)cc1 ZINC000738649241 600280966 /nfs/dbraw/zinc/28/09/66/600280966.db2.gz PARJCSIMZJYAKM-OAHLLOKOSA-N 0 1 389.477 3.237 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@H](C)C1 ZINC000737166488 600282288 /nfs/dbraw/zinc/28/22/88/600282288.db2.gz FIEIRPJSOZOZPE-DYVFJYSZSA-N 0 1 397.903 3.297 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000737166491 600282449 /nfs/dbraw/zinc/28/24/49/600282449.db2.gz FIEIRPJSOZOZPE-GUYCJALGSA-N 0 1 397.903 3.297 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000736790138 600286107 /nfs/dbraw/zinc/28/61/07/600286107.db2.gz UHIGXIWIHSALJY-CVEARBPZSA-N 0 1 398.507 3.120 20 0 GGADMN Cc1[nH]c(C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738152782 600286972 /nfs/dbraw/zinc/28/69/72/600286972.db2.gz HNOPWYYXIROKQG-PBHICJAKSA-N 0 1 375.513 3.099 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+](CCc3cccc(F)c3)C3CC3)nc2c1 ZINC000740188537 600287471 /nfs/dbraw/zinc/28/74/71/600287471.db2.gz BCJLWOOUKUXKDA-UHFFFAOYSA-N 0 1 381.407 3.380 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+](CCc3cccc(F)c3)C3CC3)nc2c1 ZINC000740188537 600287472 /nfs/dbraw/zinc/28/74/72/600287472.db2.gz BCJLWOOUKUXKDA-UHFFFAOYSA-N 0 1 381.407 3.380 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000736810401 600291763 /nfs/dbraw/zinc/29/17/63/600291763.db2.gz OGNUHBHLJJEUAI-HOTGVXAUSA-N 0 1 397.475 3.316 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000405371144 600303626 /nfs/dbraw/zinc/30/36/26/600303626.db2.gz ZRMHXPTWRGFUSL-LBPRGKRZSA-N 0 1 392.253 3.186 20 0 GGADMN CC[C@@]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736920597 600304919 /nfs/dbraw/zinc/30/49/19/600304919.db2.gz WIOYQXZBDRBYLU-AOMKIAJQSA-N 0 1 384.476 3.194 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000738988526 600304956 /nfs/dbraw/zinc/30/49/56/600304956.db2.gz YAMIIFTVVNYVGY-OAHLLOKOSA-N 0 1 394.431 3.387 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)cc1 ZINC000738487620 600305217 /nfs/dbraw/zinc/30/52/17/600305217.db2.gz CVTULXKHCGZIBH-OAHLLOKOSA-N 0 1 385.489 3.244 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000738988525 600305352 /nfs/dbraw/zinc/30/53/52/600305352.db2.gz YAMIIFTVVNYVGY-HNNXBMFYSA-N 0 1 394.431 3.387 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000739983405 600309263 /nfs/dbraw/zinc/30/92/63/600309263.db2.gz ATIUIWAPCDYSOA-KRWDZBQOSA-N 0 1 385.439 3.444 20 0 GGADMN C[C@H](c1cccc(O)c1)[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000736716874 600315569 /nfs/dbraw/zinc/31/55/69/600315569.db2.gz JPWBIQIHQGANMR-VLIAUNLRSA-N 0 1 395.459 3.120 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1noc(CCCC(=O)[O-])n1 ZINC000736323760 600324414 /nfs/dbraw/zinc/32/44/14/600324414.db2.gz KDDIQOQLJQDPAN-UHFFFAOYSA-N 0 1 396.285 3.350 20 0 GGADMN Cc1ccccc1CN(C)C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738770395 600326330 /nfs/dbraw/zinc/32/63/30/600326330.db2.gz JBKXDANYVPKJMM-UHFFFAOYSA-N 0 1 390.430 3.209 20 0 GGADMN Cc1ccccc1CN(C)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738770395 600326333 /nfs/dbraw/zinc/32/63/33/600326333.db2.gz JBKXDANYVPKJMM-UHFFFAOYSA-N 0 1 390.430 3.209 20 0 GGADMN C[C@@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1cccs1 ZINC000736639628 600327560 /nfs/dbraw/zinc/32/75/60/600327560.db2.gz CXLRUIBJRKVMJB-GFCCVEGCSA-N 0 1 382.432 3.180 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1cccs1 ZINC000736639628 600327563 /nfs/dbraw/zinc/32/75/63/600327563.db2.gz CXLRUIBJRKVMJB-GFCCVEGCSA-N 0 1 382.432 3.180 20 0 GGADMN CC1CCC(N(C)C(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000736763319 600327899 /nfs/dbraw/zinc/32/78/99/600327899.db2.gz WMYQTYFHLBEANJ-UHFFFAOYSA-N 0 1 382.451 3.279 20 0 GGADMN CC1CCC(N(C)C(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000736763319 600327902 /nfs/dbraw/zinc/32/79/02/600327902.db2.gz WMYQTYFHLBEANJ-UHFFFAOYSA-N 0 1 382.451 3.279 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1 ZINC000739717006 600328115 /nfs/dbraw/zinc/32/81/15/600328115.db2.gz DJLUEGZSFDHSOO-UHFFFAOYSA-N 0 1 396.821 3.211 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1 ZINC000739717006 600328118 /nfs/dbraw/zinc/32/81/18/600328118.db2.gz DJLUEGZSFDHSOO-UHFFFAOYSA-N 0 1 396.821 3.211 20 0 GGADMN C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736825527 600328291 /nfs/dbraw/zinc/32/82/91/600328291.db2.gz MXHFWSGKXDKIBB-AWEZNQCLSA-N 0 1 388.414 3.219 20 0 GGADMN C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736825527 600328295 /nfs/dbraw/zinc/32/82/95/600328295.db2.gz MXHFWSGKXDKIBB-AWEZNQCLSA-N 0 1 388.414 3.219 20 0 GGADMN Cc1ccc(C)c(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738574421 600328379 /nfs/dbraw/zinc/32/83/79/600328379.db2.gz OMFBNUWHGQCYNO-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN Cc1ccc(C)c(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738574421 600328382 /nfs/dbraw/zinc/32/83/82/600328382.db2.gz OMFBNUWHGQCYNO-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000739723915 600329154 /nfs/dbraw/zinc/32/91/54/600329154.db2.gz AIOFNMRHPZOAMC-UHFFFAOYSA-N 0 1 380.366 3.409 20 0 GGADMN C[N@H+](CCOc1cccc(C(=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000578514964 600329317 /nfs/dbraw/zinc/32/93/17/600329317.db2.gz FGAMVWVGZQIMMC-GOSISDBHSA-N 0 1 388.851 3.154 20 0 GGADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000578514964 600329319 /nfs/dbraw/zinc/32/93/19/600329319.db2.gz FGAMVWVGZQIMMC-GOSISDBHSA-N 0 1 388.851 3.154 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000739273621 600335512 /nfs/dbraw/zinc/33/55/12/600335512.db2.gz LJQDZFFUDHMXEU-UHFFFAOYSA-N 0 1 399.516 3.160 20 0 GGADMN O=C([O-])c1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000740160265 600335736 /nfs/dbraw/zinc/33/57/36/600335736.db2.gz IRCGZAFYRJWAGA-FUHWJXTLSA-N 0 1 375.852 3.267 20 0 GGADMN Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738872607 600337593 /nfs/dbraw/zinc/33/75/93/600337593.db2.gz ITDJHYSEEPTHAO-INIZCTEOSA-N 0 1 388.493 3.167 20 0 GGADMN Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738872607 600337597 /nfs/dbraw/zinc/33/75/97/600337597.db2.gz ITDJHYSEEPTHAO-INIZCTEOSA-N 0 1 388.493 3.167 20 0 GGADMN CCOCC[N@@H+]1CCN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@H]1C ZINC000737177258 600339267 /nfs/dbraw/zinc/33/92/67/600339267.db2.gz VKXGDVDTBMOQCT-CYBMUJFWSA-N 0 1 397.541 3.318 20 0 GGADMN CCOCC[N@H+]1CCN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@H]1C ZINC000737177258 600339270 /nfs/dbraw/zinc/33/92/70/600339270.db2.gz VKXGDVDTBMOQCT-CYBMUJFWSA-N 0 1 397.541 3.318 20 0 GGADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736756835 600341276 /nfs/dbraw/zinc/34/12/76/600341276.db2.gz WFSHRJIIKLGCCM-XHSDSOJGSA-N 0 1 376.501 3.284 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736795140 600341338 /nfs/dbraw/zinc/34/13/38/600341338.db2.gz SDOSOJUNEDCLJI-OAHLLOKOSA-N 0 1 376.501 3.428 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736789207 600343070 /nfs/dbraw/zinc/34/30/70/600343070.db2.gz LEABKQUPHJGCNQ-FXAWDEMLSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736792646 600347213 /nfs/dbraw/zinc/34/72/13/600347213.db2.gz HUYRVZNZEJGNEC-INIZCTEOSA-N 0 1 376.501 3.430 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1)C(=O)[O-] ZINC000737516312 600347671 /nfs/dbraw/zinc/34/76/71/600347671.db2.gz VCAGHEURKJXXEM-IBGZPJMESA-N 0 1 382.464 3.317 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(=O)[O-] ZINC000737516312 600347673 /nfs/dbraw/zinc/34/76/73/600347673.db2.gz VCAGHEURKJXXEM-IBGZPJMESA-N 0 1 382.464 3.317 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1)C(=O)[O-] ZINC000737516313 600347718 /nfs/dbraw/zinc/34/77/18/600347718.db2.gz VCAGHEURKJXXEM-LJQANCHMSA-N 0 1 382.464 3.317 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1)C(=O)[O-] ZINC000737516313 600347719 /nfs/dbraw/zinc/34/77/19/600347719.db2.gz VCAGHEURKJXXEM-LJQANCHMSA-N 0 1 382.464 3.317 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)CC2)c1 ZINC000738707661 600347858 /nfs/dbraw/zinc/34/78/58/600347858.db2.gz BQJJCPGQYZUYFW-UHFFFAOYSA-N 0 1 396.491 3.455 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000739987809 600349939 /nfs/dbraw/zinc/34/99/39/600349939.db2.gz FXGXILMPMFHPHJ-LJQANCHMSA-N 0 1 382.464 3.240 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739988275 600351833 /nfs/dbraw/zinc/35/18/33/600351833.db2.gz PLIJJXKPISPYHC-IBGZPJMESA-N 0 1 396.491 3.488 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739988758 600355349 /nfs/dbraw/zinc/35/53/49/600355349.db2.gz WRVBENREPVSHLQ-LJQANCHMSA-N 0 1 396.491 3.140 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739988009 600357042 /nfs/dbraw/zinc/35/70/42/600357042.db2.gz JHSZIPVAPPHZFM-IBGZPJMESA-N 0 1 382.464 3.240 20 0 GGADMN Cc1cccc(C[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C(=O)[O-])c1 ZINC000738698855 600363259 /nfs/dbraw/zinc/36/32/59/600363259.db2.gz YYOXYWKLAFXEQY-IEBWSBKVSA-N 0 1 388.895 3.311 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737360156 600363312 /nfs/dbraw/zinc/36/33/12/600363312.db2.gz FHRUSZCQQBJLBM-MAUKXSAKSA-N 0 1 392.858 3.142 20 0 GGADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)[O-] ZINC000736574083 600364798 /nfs/dbraw/zinc/36/47/98/600364798.db2.gz ZOGQLTOIGXEFDI-ZJUUUORDSA-N 0 1 383.420 3.068 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)[O-])n2)cc1C ZINC000263374565 600368041 /nfs/dbraw/zinc/36/80/41/600368041.db2.gz WJQILVLCLYUPGK-CQSZACIVSA-N 0 1 375.494 3.326 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)C[C@H](C)C(=O)[O-])n2)c(C)c1 ZINC000738351922 600368684 /nfs/dbraw/zinc/36/86/84/600368684.db2.gz NMRUAPHDDYFFHS-AWEZNQCLSA-N 0 1 375.494 3.326 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000739622242 600377420 /nfs/dbraw/zinc/37/74/20/600377420.db2.gz BCCKWGPCCLNXNQ-ICSRJNTNSA-N 0 1 398.890 3.167 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cccc(OCC(=O)[O-])c3)c2)C[C@H](C)O1 ZINC000659760000 600380435 /nfs/dbraw/zinc/38/04/35/600380435.db2.gz XHUKQVNWXDAPRX-IYBDPMFKSA-N 0 1 398.459 3.012 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cccc(OCC(=O)[O-])c3)c2)C[C@H](C)O1 ZINC000659760000 600380437 /nfs/dbraw/zinc/38/04/37/600380437.db2.gz XHUKQVNWXDAPRX-IYBDPMFKSA-N 0 1 398.459 3.012 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000736465425 600394229 /nfs/dbraw/zinc/39/42/29/600394229.db2.gz DSVFXFGBIXSSLN-UHFFFAOYSA-N 0 1 383.448 3.063 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000738526850 600399510 /nfs/dbraw/zinc/39/95/10/600399510.db2.gz XBWGRRLJYQVAEP-KRWDZBQOSA-N 0 1 376.815 3.063 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000739513841 600399589 /nfs/dbraw/zinc/39/95/89/600399589.db2.gz CCLNKNCFZWPFGV-GOSISDBHSA-N 0 1 390.842 3.453 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000738526853 600399650 /nfs/dbraw/zinc/39/96/50/600399650.db2.gz XBWGRRLJYQVAEP-QGZVFWFLSA-N 0 1 376.815 3.063 20 0 GGADMN CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000736322069 600402171 /nfs/dbraw/zinc/40/21/71/600402171.db2.gz NWHTYFKPNZRCEY-UHFFFAOYSA-N 0 1 385.439 3.482 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000738524755 600404927 /nfs/dbraw/zinc/40/49/27/600404927.db2.gz HZJXHXPCTOLTCB-KRWDZBQOSA-N 0 1 376.815 3.063 20 0 GGADMN C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736805476 600405614 /nfs/dbraw/zinc/40/56/14/600405614.db2.gz DMVSRCUFNUTYIS-XPGWFJOJSA-N 0 1 388.895 3.205 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCCC[C@@H]1C ZINC000736785842 600405827 /nfs/dbraw/zinc/40/58/27/600405827.db2.gz VVBHQZQKJPGMPI-RYUDHWBXSA-N 0 1 385.411 3.371 20 0 GGADMN CC(C)n1ccnc1CN1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000736532525 600406933 /nfs/dbraw/zinc/40/69/33/600406933.db2.gz SFYQVGJVLWPUGW-IBGZPJMESA-N 0 1 390.915 3.451 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737408428 600409300 /nfs/dbraw/zinc/40/93/00/600409300.db2.gz LOCXNYDJYAVSQX-WBVHZDCISA-N 0 1 383.366 3.203 20 0 GGADMN O=C([O-])CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCO1 ZINC000739724472 600410885 /nfs/dbraw/zinc/41/08/85/600410885.db2.gz ICPGMHIEONJBBU-RZFZLAGVSA-N 0 1 394.320 3.057 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000737973623 600412181 /nfs/dbraw/zinc/41/21/81/600412181.db2.gz SRSWTXSYVIMKMP-GOSISDBHSA-N 0 1 386.423 3.444 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000737973623 600412182 /nfs/dbraw/zinc/41/21/82/600412182.db2.gz SRSWTXSYVIMKMP-GOSISDBHSA-N 0 1 386.423 3.444 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)[O-] ZINC000736713379 600414475 /nfs/dbraw/zinc/41/44/75/600414475.db2.gz TZBXWXNGTPLDRY-OAHLLOKOSA-N 0 1 376.522 3.342 20 0 GGADMN Cc1[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154297 600414950 /nfs/dbraw/zinc/41/49/50/600414950.db2.gz IHAKXFSSCFJVRR-KDOFPFPSSA-N 0 1 383.492 3.455 20 0 GGADMN O=C([O-])c1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000572158140 600424022 /nfs/dbraw/zinc/42/40/22/600424022.db2.gz CJMXLIVJQMWGHQ-KRWDZBQOSA-N 0 1 392.377 3.408 20 0 GGADMN O=C([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000740204143 600429077 /nfs/dbraw/zinc/42/90/77/600429077.db2.gz TYQHLSCLXUGGNH-MRXNPFEDSA-N 0 1 381.407 3.426 20 0 GGADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000740204143 600429079 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392.496 3.425 20 0 GGADMN Cc1[nH]c(C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154905 600438755 /nfs/dbraw/zinc/43/87/55/600438755.db2.gz WHOVYZVIAJGEBH-BEFAXECRSA-N 0 1 397.519 3.497 20 0 GGADMN C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000736763805 600438808 /nfs/dbraw/zinc/43/88/08/600438808.db2.gz VWSDPBSPENATLL-UTKZUKDTSA-N 0 1 395.503 3.308 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000736432658 600441173 /nfs/dbraw/zinc/44/11/73/600441173.db2.gz RVWXEUFIRDQUSI-UHFFFAOYSA-N 0 1 388.287 3.493 20 0 GGADMN C[N@H+](Cc1cccc(C(=O)[O-])c1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263490443 600441909 /nfs/dbraw/zinc/44/19/09/600441909.db2.gz QXPWWQGADKCRPP-INIZCTEOSA-N 0 1 383.366 3.275 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000738956618 600442920 /nfs/dbraw/zinc/44/29/20/600442920.db2.gz CNKLRXRLNRYYJV-AWEZNQCLSA-N 0 1 387.354 3.177 20 0 GGADMN C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@@H]1CCc2ccccc2C1 ZINC000737399498 600448657 /nfs/dbraw/zinc/44/86/57/600448657.db2.gz KZLPKOJFKFGOBC-OAHLLOKOSA-N 0 1 384.501 3.363 20 0 GGADMN C[C@H](C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1)C(=O)[O-] ZINC000736581571 600454193 /nfs/dbraw/zinc/45/41/93/600454193.db2.gz JJGGLHHVRKRVMQ-MRVPVSSYSA-N 0 1 386.271 3.246 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736949672 600454220 /nfs/dbraw/zinc/45/42/20/600454220.db2.gz LMSVNRAPPKIDRH-NHCUHLMSSA-N 0 1 378.472 3.034 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000736952007 600454309 /nfs/dbraw/zinc/45/43/09/600454309.db2.gz YBDQPBCBBWYMRC-IEBWSBKVSA-N 0 1 385.460 3.143 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736722809 600457031 /nfs/dbraw/zinc/45/70/31/600457031.db2.gz DVXCJZLQJYOBCU-JXFKEZNVSA-N 0 1 396.491 3.454 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736755082 600457124 /nfs/dbraw/zinc/45/71/24/600457124.db2.gz JVFAALVQXGWQND-CALCHBBNSA-N 0 1 390.528 3.376 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000738772707 600461281 /nfs/dbraw/zinc/46/12/81/600461281.db2.gz LSVMTEJHQFRYCJ-UHFFFAOYSA-N 0 1 396.491 3.155 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000740016970 600461726 /nfs/dbraw/zinc/46/17/26/600461726.db2.gz DCKZNLYXJUHOIL-UHFFFAOYSA-N 0 1 396.491 3.237 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000740079767 600462767 /nfs/dbraw/zinc/46/27/67/600462767.db2.gz UFNFQWNWEWFNBG-IBGZPJMESA-N 0 1 392.858 3.029 20 0 GGADMN C[C@H](c1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1)[NH+]1CCOCC1 ZINC000736716857 600464294 /nfs/dbraw/zinc/46/42/94/600464294.db2.gz JBBQHIIRVBJKAU-OAHLLOKOSA-N 0 1 395.459 3.326 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000736718727 600464446 /nfs/dbraw/zinc/46/44/46/600464446.db2.gz VIYVUBFBJAMJRB-INIZCTEOSA-N 0 1 397.475 3.142 20 0 GGADMN C[C@H](c1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000736717298 600464541 /nfs/dbraw/zinc/46/45/41/600464541.db2.gz KRBZPBCKHYFSBA-MRXNPFEDSA-N 0 1 397.475 3.442 20 0 GGADMN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000737517544 600467551 /nfs/dbraw/zinc/46/75/51/600467551.db2.gz AVTZFGNZHCPFGM-OALUTQOASA-N 0 1 386.496 3.076 20 0 GGADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000737517548 600467798 /nfs/dbraw/zinc/46/77/98/600467798.db2.gz AVTZFGNZHCPFGM-RBUKOAKNSA-N 0 1 386.496 3.076 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000736486815 600468297 /nfs/dbraw/zinc/46/82/97/600468297.db2.gz FGERLGHXGOAHKS-SJORKVTESA-N 0 1 375.469 3.263 20 0 GGADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737520956 600469694 /nfs/dbraw/zinc/46/96/94/600469694.db2.gz LTAOZVWQCVXBIJ-ZWKOTPCHSA-N 0 1 391.537 3.485 20 0 GGADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737520608 600469719 /nfs/dbraw/zinc/46/97/19/600469719.db2.gz LQXPQNGTXXVKQH-UONOGXRCSA-N 0 1 383.395 3.077 20 0 GGADMN Cc1ccc(N2CCC(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)CC2)[nH+]c1 ZINC000738616525 600480819 /nfs/dbraw/zinc/48/08/19/600480819.db2.gz RIQLTUIHZYVCMY-UHFFFAOYSA-N 0 1 397.475 3.489 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736811617 600481164 /nfs/dbraw/zinc/48/11/64/600481164.db2.gz RTGFHDQGDLHCFL-VNHYZAJKSA-N 0 1 394.447 3.021 20 0 GGADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736811617 600481165 /nfs/dbraw/zinc/48/11/65/600481165.db2.gz RTGFHDQGDLHCFL-VNHYZAJKSA-N 0 1 394.447 3.021 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736807233 600484246 /nfs/dbraw/zinc/48/42/46/600484246.db2.gz FTRTWTPAKDSFGH-IIYDPXPESA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736807233 600484247 /nfs/dbraw/zinc/48/42/47/600484247.db2.gz FTRTWTPAKDSFGH-IIYDPXPESA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000736808925 600484356 /nfs/dbraw/zinc/48/43/56/600484356.db2.gz KXQVKBVZPYMSPY-NFAWXSAZSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000736808928 600484811 /nfs/dbraw/zinc/48/48/11/600484811.db2.gz KXQVKBVZPYMSPY-VNHYZAJKSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000736808928 600484812 /nfs/dbraw/zinc/48/48/12/600484812.db2.gz KXQVKBVZPYMSPY-VNHYZAJKSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1SCC[N@@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000572609381 600489795 /nfs/dbraw/zinc/48/97/95/600489795.db2.gz NSNLDCCGXZUMPC-ZAAXVRCTSA-N 0 1 387.501 3.303 20 0 GGADMN Cc1oc(NC(=O)CN2CCCC[C@H]2Cc2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822549205 607448012 /nfs/dbraw/zinc/44/80/12/607448012.db2.gz VVTYQYZWJYQCFQ-KRWDZBQOSA-N 0 1 394.479 3.112 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737454628 600500897 /nfs/dbraw/zinc/50/08/97/600500897.db2.gz XYONOSZYTRCNFL-GFCCVEGCSA-N 0 1 386.395 3.195 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)c12 ZINC000579715228 600503987 /nfs/dbraw/zinc/50/39/87/600503987.db2.gz UKBFAXLQBWOGDW-ZDUSSCGKSA-N 0 1 397.504 3.285 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000736217278 600505514 /nfs/dbraw/zinc/50/55/14/600505514.db2.gz AMFRPZODZMUFQR-MRXNPFEDSA-N 0 1 382.460 3.316 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736217278 600505517 /nfs/dbraw/zinc/50/55/17/600505517.db2.gz AMFRPZODZMUFQR-MRXNPFEDSA-N 0 1 382.460 3.316 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C[C@H]1CCCO1 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380.488 3.183 20 0 GGADMN CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000738198190 600639894 /nfs/dbraw/zinc/63/98/94/600639894.db2.gz ACNKMANHJQGLAU-MGPUTAFESA-N 0 1 398.528 3.487 20 0 GGADMN CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000738198190 600639896 /nfs/dbraw/zinc/63/98/96/600639896.db2.gz ACNKMANHJQGLAU-MGPUTAFESA-N 0 1 398.528 3.487 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000738198195 600639929 /nfs/dbraw/zinc/63/99/29/600639929.db2.gz ACNKMANHJQGLAU-QRWLVFNGSA-N 0 1 398.528 3.487 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000738198195 600639932 /nfs/dbraw/zinc/63/99/32/600639932.db2.gz ACNKMANHJQGLAU-QRWLVFNGSA-N 0 1 398.528 3.487 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736740788 600643180 /nfs/dbraw/zinc/64/31/80/600643180.db2.gz GMPNQAUVIDULBV-JOCHJYFZSA-N 0 1 381.476 3.446 20 0 GGADMN 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Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000832929925 600858455 /nfs/dbraw/zinc/85/84/55/600858455.db2.gz NYRSAMRVZIIBNN-RYGJVYDSSA-N 0 1 396.487 3.399 20 0 GGADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000832929925 600858456 /nfs/dbraw/zinc/85/84/56/600858456.db2.gz NYRSAMRVZIIBNN-RYGJVYDSSA-N 0 1 396.487 3.399 20 0 GGADMN CN(C)C(=O)c1cccc(C[N@H+](CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000830575509 600861148 /nfs/dbraw/zinc/86/11/48/600861148.db2.gz UNWDCUGTNDYYBL-UHFFFAOYSA-N 0 1 376.403 3.144 20 0 GGADMN CN(C)C(=O)c1cccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000830575509 600861151 /nfs/dbraw/zinc/86/11/51/600861151.db2.gz UNWDCUGTNDYYBL-UHFFFAOYSA-N 0 1 376.403 3.144 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000828284309 600862539 /nfs/dbraw/zinc/86/25/39/600862539.db2.gz DCBNWMOZMVZVQM-ATZDWAIDSA-N 0 1 382.460 3.091 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000828284309 600862540 /nfs/dbraw/zinc/86/25/40/600862540.db2.gz DCBNWMOZMVZVQM-ATZDWAIDSA-N 0 1 382.460 3.091 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1C(=O)[O-] ZINC000737242330 600866608 /nfs/dbraw/zinc/86/66/08/600866608.db2.gz SSWGFZMAGYLHIM-SCLBCKFNSA-N 0 1 389.521 3.458 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)[C@H]1c1cccs1 ZINC000659758918 600866672 /nfs/dbraw/zinc/86/66/72/600866672.db2.gz KIRIUFVOHTXXAL-BEFAXECRSA-N 0 1 388.489 3.024 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000830853206 600904206 /nfs/dbraw/zinc/90/42/06/600904206.db2.gz ZVQWHJWIYDXLEI-GOSISDBHSA-N 0 1 391.471 3.072 20 0 GGADMN O=C([O-])CC1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000833213649 600906727 /nfs/dbraw/zinc/90/67/27/600906727.db2.gz YYXQSRHXBYOBSM-UHFFFAOYSA-N 0 1 380.488 3.402 20 0 GGADMN Cc1[nH]c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C)c1C(=O)[O-] ZINC000738156052 600915120 /nfs/dbraw/zinc/91/51/20/600915120.db2.gz JYVLWLZLPLWSAV-UHFFFAOYSA-N 0 1 395.459 3.485 20 0 GGADMN Cc1[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)c1C(=O)[O-] ZINC000738156052 600915123 /nfs/dbraw/zinc/91/51/23/600915123.db2.gz JYVLWLZLPLWSAV-UHFFFAOYSA-N 0 1 395.459 3.485 20 0 GGADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000736230259 600933527 /nfs/dbraw/zinc/93/35/27/600933527.db2.gz JNAIOOPKHYNTDD-KRWDZBQOSA-N 0 1 381.476 3.295 20 0 GGADMN C[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000737400146 600949285 /nfs/dbraw/zinc/94/92/85/600949285.db2.gz VJFNDGJLNJDXTC-UHFFFAOYSA-N 0 1 384.480 3.232 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000737400146 600949286 /nfs/dbraw/zinc/94/92/86/600949286.db2.gz VJFNDGJLNJDXTC-UHFFFAOYSA-N 0 1 384.480 3.232 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000830718826 600955067 /nfs/dbraw/zinc/95/50/67/600955067.db2.gz ZMLPHDCOCZKHOR-HXUWFJFHSA-N 0 1 380.488 3.298 20 0 GGADMN CCc1[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000830183715 600955082 /nfs/dbraw/zinc/95/50/82/600955082.db2.gz LLXKTCUQXGIBLS-QGZVFWFLSA-N 0 1 383.492 3.178 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)cs2)cc1 ZINC000740097453 600956987 /nfs/dbraw/zinc/95/69/87/600956987.db2.gz IMEHCQMZYQXVFK-KRWDZBQOSA-N 0 1 399.516 3.343 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1)C(C)C ZINC000571680710 600963257 /nfs/dbraw/zinc/96/32/57/600963257.db2.gz CXYPRNNKWNDASJ-UHFFFAOYSA-N 0 1 376.497 3.013 20 0 GGADMN C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737452058 600965968 /nfs/dbraw/zinc/96/59/68/600965968.db2.gz XIOWXNYSRXVYDY-MRXNPFEDSA-N 0 1 383.322 3.414 20 0 GGADMN C[C@@H]1C[C@@H](N(C)CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC[N@H+]1C ZINC000736762626 600967641 /nfs/dbraw/zinc/96/76/41/600967641.db2.gz RNUPVYFVJCRVEG-PWSUYJOCSA-N 0 1 388.295 3.045 20 0 GGADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000736713972 600969701 /nfs/dbraw/zinc/96/97/01/600969701.db2.gz FKKZQHFDXCAHQP-NWDGAFQWSA-N 0 1 387.354 3.429 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000737983507 600969901 /nfs/dbraw/zinc/96/99/01/600969901.db2.gz AXSLPSKQVZFUJP-QUCCMNQESA-N 0 1 399.487 3.088 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000736713968 600969967 /nfs/dbraw/zinc/96/99/67/600969967.db2.gz FKKZQHFDXCAHQP-NEPJUHHUSA-N 0 1 387.354 3.429 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3C(=O)[O-])C2)cc1 ZINC000737983464 600970105 /nfs/dbraw/zinc/97/01/05/600970105.db2.gz AAMYQSXVXHXTDH-KRWDZBQOSA-N 0 1 382.460 3.287 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000736713979 600970169 /nfs/dbraw/zinc/97/01/69/600970169.db2.gz FKKZQHFDXCAHQP-VXGBXAGGSA-N 0 1 387.354 3.429 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000737985511 600970634 /nfs/dbraw/zinc/97/06/34/600970634.db2.gz YEZQWFYURLUXHE-KRWDZBQOSA-N 0 1 382.460 3.287 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccsc2C(=O)[O-])C12CCCCC2 ZINC000737165577 600973891 /nfs/dbraw/zinc/97/38/91/600973891.db2.gz RULBXLPIYQFZMG-LSDHHAIUSA-N 0 1 380.510 3.445 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC2(C1)CCCCC2 ZINC000737505499 600975803 /nfs/dbraw/zinc/97/58/03/600975803.db2.gz LOLRTMGXLDWDFA-IBGZPJMESA-N 0 1 383.492 3.378 20 0 GGADMN Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1C ZINC000738698519 600979160 /nfs/dbraw/zinc/97/91/60/600979160.db2.gz MRURPUTUISTEQD-FCHUYYIVSA-N 0 1 392.499 3.478 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C(=O)[O-] ZINC000827914826 600982516 /nfs/dbraw/zinc/98/25/16/600982516.db2.gz HCXWACNBMPKJIF-ZBFHGGJFSA-N 0 1 376.522 3.056 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C(=O)[O-] ZINC000827914825 600982566 /nfs/dbraw/zinc/98/25/66/600982566.db2.gz HCXWACNBMPKJIF-HOCLYGCPSA-N 0 1 376.522 3.056 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000248570882 600987554 /nfs/dbraw/zinc/98/75/54/600987554.db2.gz SBVATYGUDIRIGI-UXPWSPDFSA-N 0 1 385.508 3.333 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000248570872 600987601 /nfs/dbraw/zinc/98/76/01/600987601.db2.gz SBVATYGUDIRIGI-AHRSYUTCSA-N 0 1 385.508 3.333 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000833141663 600989352 /nfs/dbraw/zinc/98/93/52/600989352.db2.gz XPKBAUVCPZRQPU-BLLLJJGKSA-N 0 1 385.291 3.357 20 0 GGADMN CCOCC[N@H+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000830012327 601000527 /nfs/dbraw/zinc/00/05/27/601000527.db2.gz YKEDNFPGZRHWRL-MLGOLLRUSA-N 0 1 375.296 3.162 20 0 GGADMN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000833173034 601000954 /nfs/dbraw/zinc/00/09/54/601000954.db2.gz ZHINROWURXKIRL-INIZCTEOSA-N 0 1 381.263 3.486 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000833104818 601007879 /nfs/dbraw/zinc/00/78/79/601007879.db2.gz GEDVXKYAUPRCDG-SNVBAGLBSA-N 0 1 397.262 3.233 20 0 GGADMN CC(C)c1oc([C@@H]2CCC[N@H+]2CCC(=O)NCC(=O)[O-])nc1-c1ccccc1 ZINC000827180502 601011119 /nfs/dbraw/zinc/01/11/19/601011119.db2.gz VTKROIWXCSTDNF-INIZCTEOSA-N 0 1 385.464 3.193 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000828258384 601017696 /nfs/dbraw/zinc/01/76/96/601017696.db2.gz RIBUVYOVMTZYBI-IRXDYDNUSA-N 0 1 389.496 3.268 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000833222109 601018257 /nfs/dbraw/zinc/01/82/57/601018257.db2.gz SPZGVIDJNJLIDA-CQSZACIVSA-N 0 1 397.294 3.496 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000833222109 601018260 /nfs/dbraw/zinc/01/82/60/601018260.db2.gz SPZGVIDJNJLIDA-CQSZACIVSA-N 0 1 397.294 3.496 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000833222104 601018703 /nfs/dbraw/zinc/01/87/03/601018703.db2.gz SPZGVIDJNJLIDA-AWEZNQCLSA-N 0 1 397.294 3.496 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000833222104 601018707 /nfs/dbraw/zinc/01/87/07/601018707.db2.gz SPZGVIDJNJLIDA-AWEZNQCLSA-N 0 1 397.294 3.496 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(C(=O)[O-])c1C ZINC000833033988 601019847 /nfs/dbraw/zinc/01/98/47/601019847.db2.gz KHKMZZUKTMCPDH-HNNXBMFYSA-N 0 1 380.510 3.425 20 0 GGADMN Cc1ccc(-c2noc(CCC[N@H+]3CCSC[C@H]3CC(=O)[O-])n2)cc1F ZINC000516576099 601020623 /nfs/dbraw/zinc/02/06/23/601020623.db2.gz KDWSVEJFJGVLCO-CQSZACIVSA-N 0 1 379.457 3.009 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000829873925 601020688 /nfs/dbraw/zinc/02/06/88/601020688.db2.gz WXBWEEVRNXMJQR-CQSZACIVSA-N 0 1 388.489 3.112 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000829873925 601020692 /nfs/dbraw/zinc/02/06/92/601020692.db2.gz WXBWEEVRNXMJQR-CQSZACIVSA-N 0 1 388.489 3.112 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000829641873 601021713 /nfs/dbraw/zinc/02/17/13/601021713.db2.gz CBQICQOEOBLILC-IUODEOHRSA-N 0 1 390.377 3.074 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642346 601021837 /nfs/dbraw/zinc/02/18/37/601021837.db2.gz JRMBGAOOIMINLM-VXGBXAGGSA-N 0 1 376.375 3.162 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000829642343 601021846 /nfs/dbraw/zinc/02/18/46/601021846.db2.gz JRMBGAOOIMINLM-NEPJUHHUSA-N 0 1 376.375 3.162 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000829642157 601022010 /nfs/dbraw/zinc/02/20/10/601022010.db2.gz IBDNHRVPJYWGSE-DZGCQCFKSA-N 0 1 390.377 3.074 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])c2cc1Cl ZINC000830229566 601022005 /nfs/dbraw/zinc/02/20/05/601022005.db2.gz YUIQEKRTFYBTSU-CYBMUJFWSA-N 0 1 381.881 3.401 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@H+]3CCSC[C@H]3CC(=O)[O-])c2cc1Cl ZINC000830229566 601022009 /nfs/dbraw/zinc/02/20/09/601022009.db2.gz YUIQEKRTFYBTSU-CYBMUJFWSA-N 0 1 381.881 3.401 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](COCc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832842755 601024200 /nfs/dbraw/zinc/02/42/00/601024200.db2.gz HSDALONCLQUIFW-AEFFLSMTSA-N 0 1 384.476 3.440 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832842756 601024498 /nfs/dbraw/zinc/02/44/98/601024498.db2.gz HSDALONCLQUIFW-FUHWJXTLSA-N 0 1 384.476 3.440 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000832916417 601024801 /nfs/dbraw/zinc/02/48/01/601024801.db2.gz OSZJQWRXDBRUCF-SFHVURJKSA-N 0 1 382.460 3.170 20 0 GGADMN C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827637015 601025566 /nfs/dbraw/zinc/02/55/66/601025566.db2.gz QGJRJNYFGZKGEA-JQWIXIFHSA-N 0 1 391.320 3.063 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827637015 601025569 /nfs/dbraw/zinc/02/55/69/601025569.db2.gz QGJRJNYFGZKGEA-JQWIXIFHSA-N 0 1 391.320 3.063 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000825823758 601026897 /nfs/dbraw/zinc/02/68/97/601026897.db2.gz SQSXFEPUNCTEEY-DZGCQCFKSA-N 0 1 389.452 3.273 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000825823758 601026901 /nfs/dbraw/zinc/02/69/01/601026901.db2.gz SQSXFEPUNCTEEY-DZGCQCFKSA-N 0 1 389.452 3.273 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000825822422 601027184 /nfs/dbraw/zinc/02/71/84/601027184.db2.gz BPGUYCXQAIGCMT-PXNSSMCTSA-N 0 1 385.464 3.047 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000833173691 601027229 /nfs/dbraw/zinc/02/72/29/601027229.db2.gz UZVHOQYWBVYYQD-SFHVURJKSA-N 0 1 386.835 3.481 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164585257 601032369 /nfs/dbraw/zinc/03/23/69/601032369.db2.gz ZDLMSPAISROUDR-WMZOPIPTSA-N 0 1 382.460 3.389 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000463350053 601032479 /nfs/dbraw/zinc/03/24/79/601032479.db2.gz IKVGNXIHGYJIRU-KRWDZBQOSA-N 0 1 379.460 3.116 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C3CC3)[C@@H](c3ccco3)C2)cc1 ZINC000832929454 601034655 /nfs/dbraw/zinc/03/46/55/601034655.db2.gz MPQXZZJZHDNEKW-XMSQKQJNSA-N 0 1 395.459 3.109 20 0 GGADMN O=C(C[N@H+]1CC[C@@H](CSc2ccccc2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833104573 601035432 /nfs/dbraw/zinc/03/54/32/601035432.db2.gz COUFURNRTXTZOX-MRXNPFEDSA-N 0 1 376.522 3.004 20 0 GGADMN O=C([O-])c1cnc(N(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000740254699 601042058 /nfs/dbraw/zinc/04/20/58/601042058.db2.gz QACHPGNXCALUPP-HNNXBMFYSA-N 0 1 385.489 3.249 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000833103806 601042129 /nfs/dbraw/zinc/04/21/29/601042129.db2.gz HJIPTLRDTLSGRR-FQEVSTJZSA-N 0 1 382.460 3.085 20 0 GGADMN CC[C@@](C)([NH2+]CC(=O)NCc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000828691678 601042690 /nfs/dbraw/zinc/04/26/90/601042690.db2.gz AWFSKVFKEYQHMW-GOSISDBHSA-N 0 1 376.482 3.073 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC[N@H+]1C ZINC000828167082 601042764 /nfs/dbraw/zinc/04/27/64/601042764.db2.gz BMLKSYFVNPMHDP-WMLDXEAASA-N 0 1 379.526 3.341 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC[N@H+]1C ZINC000828167080 601042965 /nfs/dbraw/zinc/04/29/65/601042965.db2.gz BMLKSYFVNPMHDP-PBHICJAKSA-N 0 1 379.526 3.341 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000832917502 601044020 /nfs/dbraw/zinc/04/40/20/601044020.db2.gz YHNXGAUVNVDKMQ-ICSRJNTNSA-N 0 1 382.460 3.220 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c(C)c1C(=O)[O-] ZINC000832842820 601044137 /nfs/dbraw/zinc/04/41/37/601044137.db2.gz KNSNEOVFVPNSSI-RYQLBKOJSA-N 0 1 384.476 3.489 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000830852662 601047451 /nfs/dbraw/zinc/04/74/51/601047451.db2.gz TTWAGQLFEZVTIV-HXUWFJFHSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@H](c1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000827934063 601047719 /nfs/dbraw/zinc/04/77/19/601047719.db2.gz BVMNCCMEYPYYHA-UZLBHIALSA-N 0 1 397.475 3.070 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CCOCC1 ZINC000582359657 601048577 /nfs/dbraw/zinc/04/85/77/601048577.db2.gz AYGYLMNTRZFNOM-UHFFFAOYSA-N 0 1 398.459 3.373 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c2cc1Cl ZINC000830228887 601049379 /nfs/dbraw/zinc/04/93/79/601049379.db2.gz GSBGLNCZIYOYGV-UHFFFAOYSA-N 0 1 393.867 3.465 20 0 GGADMN COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832378347 601053684 /nfs/dbraw/zinc/05/36/84/601053684.db2.gz KDKBHOAJZXIUNM-YGRLFVJLSA-N 0 1 378.425 3.050 20 0 GGADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833009513 601070056 /nfs/dbraw/zinc/07/00/56/601070056.db2.gz ZABUXXZAKVGNNY-UHFFFAOYSA-N 0 1 385.811 3.249 20 0 GGADMN COc1cc(C(=O)[O-])cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1OC ZINC000831902796 601085182 /nfs/dbraw/zinc/08/51/82/601085182.db2.gz DGGNNEOAQPCCTC-ZDUSSCGKSA-N 0 1 393.484 3.034 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000630225972 601085783 /nfs/dbraw/zinc/08/57/83/601085783.db2.gz WOBZYJYOPGNEOX-CYBMUJFWSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000630223165 601086145 /nfs/dbraw/zinc/08/61/45/601086145.db2.gz IHVUFTZRXCQIBP-AWEZNQCLSA-N 0 1 384.501 3.135 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585772 601089637 /nfs/dbraw/zinc/08/96/37/601089637.db2.gz VTBRSYRPQYINLS-DLBZAZTESA-N 0 1 395.459 3.024 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000736585772 601089640 /nfs/dbraw/zinc/08/96/40/601089640.db2.gz VTBRSYRPQYINLS-DLBZAZTESA-N 0 1 395.459 3.024 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)CN1C[C@H](c2cccc(F)c2)CC1=O)C(=O)[O-] ZINC000736586255 601089794 /nfs/dbraw/zinc/08/97/94/601089794.db2.gz ZPVWNLWNEMUZBS-QFBILLFUSA-N 0 1 384.451 3.322 20 0 GGADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000826122864 601090434 /nfs/dbraw/zinc/09/04/34/601090434.db2.gz UUUNPSOTPMKEPD-UHFFFAOYSA-N 0 1 387.505 3.290 20 0 GGADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000826122864 601090438 /nfs/dbraw/zinc/09/04/38/601090438.db2.gz UUUNPSOTPMKEPD-UHFFFAOYSA-N 0 1 387.505 3.290 20 0 GGADMN Cc1ccccc1[C@H]1CC(=O)N(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])C1 ZINC000738761822 601090425 /nfs/dbraw/zinc/09/04/25/601090425.db2.gz XSDCJOBFCNPQKU-ICSRJNTNSA-N 0 1 380.488 3.491 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000630222424 601090754 /nfs/dbraw/zinc/09/07/54/601090754.db2.gz DWTOIAYUHUBWGR-MRXNPFEDSA-N 0 1 376.522 3.099 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2occc2CSc2ccccc2)CC1 ZINC000630225394 601099128 /nfs/dbraw/zinc/09/91/28/601099128.db2.gz UWPQDWUBKRSZPG-OAHLLOKOSA-N 0 1 388.489 3.193 20 0 GGADMN Cc1[nH]c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c(C)c1C(=O)[O-] ZINC000832846522 601106663 /nfs/dbraw/zinc/10/66/63/601106663.db2.gz SKZDDULDOCTGCB-ZDUSSCGKSA-N 0 1 385.464 3.303 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000635339115 601113837 /nfs/dbraw/zinc/11/38/37/601113837.db2.gz JJQONNUGTUGZEI-SFHVURJKSA-N 0 1 385.464 3.119 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000736129506 601114426 /nfs/dbraw/zinc/11/44/26/601114426.db2.gz FFDMUJALQUSPRM-INIZCTEOSA-N 0 1 389.452 3.021 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000736129506 601114428 /nfs/dbraw/zinc/11/44/28/601114428.db2.gz FFDMUJALQUSPRM-INIZCTEOSA-N 0 1 389.452 3.021 20 0 GGADMN Cn1cc(C[C@@H]2CC[N@@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)cn1 ZINC000833044829 601118674 /nfs/dbraw/zinc/11/86/74/601118674.db2.gz HZDNXAJXBJNBEA-AWEZNQCLSA-N 0 1 382.489 3.306 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148648 601118928 /nfs/dbraw/zinc/11/89/28/601118928.db2.gz BYVBTKUKJXKDSZ-QFBILLFUSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828148649 601119034 /nfs/dbraw/zinc/11/90/34/601119034.db2.gz BYVBTKUKJXKDSZ-VQIMIIECSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828151643 601119887 /nfs/dbraw/zinc/11/98/87/601119887.db2.gz XKKHEWHGUBXMTD-ZBFHGGJFSA-N 0 1 377.444 3.487 20 0 GGADMN O=C([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000740231335 601119921 /nfs/dbraw/zinc/11/99/21/601119921.db2.gz LRILMGDYMQSVJW-ZDUSSCGKSA-N 0 1 383.370 3.385 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@H](Cc4ccccc4)[C@@H]3C)nc(=O)c12 ZINC000832852595 601120424 /nfs/dbraw/zinc/12/04/24/601120424.db2.gz BJNAAQHCPBYINT-ZFWWWQNUSA-N 0 1 397.500 3.444 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@@H](Cc4ccccc4)[C@@H]3C)nc(=O)c12 ZINC000832852595 601120425 /nfs/dbraw/zinc/12/04/25/601120425.db2.gz BJNAAQHCPBYINT-ZFWWWQNUSA-N 0 1 397.500 3.444 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000829458021 601128824 /nfs/dbraw/zinc/12/88/24/601128824.db2.gz ICVIQJXWPDYULZ-INIZCTEOSA-N 0 1 379.526 3.200 20 0 GGADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833010037 601129140 /nfs/dbraw/zinc/12/91/40/601129140.db2.gz ASWURUJBLQQEOJ-QGZVFWFLSA-N 0 1 388.493 3.206 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828295616 601148429 /nfs/dbraw/zinc/14/84/29/601148429.db2.gz LEKCDJXHGGLWHX-SFHVURJKSA-N 0 1 375.513 3.328 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)cs2)c1 ZINC000262686802 601152546 /nfs/dbraw/zinc/15/25/46/601152546.db2.gz VEXUAYNXUZEGNT-HNNXBMFYSA-N 0 1 387.505 3.238 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)cs2)c1 ZINC000262686802 601152550 /nfs/dbraw/zinc/15/25/50/601152550.db2.gz VEXUAYNXUZEGNT-HNNXBMFYSA-N 0 1 387.505 3.238 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000833106731 601156296 /nfs/dbraw/zinc/15/62/96/601156296.db2.gz UXJPQXQBTXGECU-WCQYABFASA-N 0 1 380.491 3.034 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000833106731 601156297 /nfs/dbraw/zinc/15/62/97/601156297.db2.gz UXJPQXQBTXGECU-WCQYABFASA-N 0 1 380.491 3.034 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000826008179 601157579 /nfs/dbraw/zinc/15/75/79/601157579.db2.gz FXTLJXZTEDBDDS-OAHLLOKOSA-N 0 1 376.522 3.141 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000833336619 601158619 /nfs/dbraw/zinc/15/86/19/601158619.db2.gz SMGYLBAEKSJPTO-CQSZACIVSA-N 0 1 380.535 3.303 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@@H]([N@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000833336619 601158620 /nfs/dbraw/zinc/15/86/20/601158620.db2.gz SMGYLBAEKSJPTO-CQSZACIVSA-N 0 1 380.535 3.303 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000830907683 601169673 /nfs/dbraw/zinc/16/96/73/601169673.db2.gz OTUSAVRFHRDGJL-YLJYHZDGSA-N 0 1 377.444 3.168 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000830907683 601169676 /nfs/dbraw/zinc/16/96/76/601169676.db2.gz OTUSAVRFHRDGJL-YLJYHZDGSA-N 0 1 377.444 3.168 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000830193447 601174186 /nfs/dbraw/zinc/17/41/86/601174186.db2.gz XWLDXMUFIYJMGI-YOEHRIQHSA-N 0 1 383.492 3.367 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000830193443 601174381 /nfs/dbraw/zinc/17/43/81/601174381.db2.gz XWLDXMUFIYJMGI-RHSMWYFYSA-N 0 1 383.492 3.367 20 0 GGADMN Cc1nsc(N2CC[NH+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CC2)n1 ZINC000833024052 601179571 /nfs/dbraw/zinc/17/95/71/601179571.db2.gz PJTUNRCPVDXDOK-UHFFFAOYSA-N 0 1 392.481 3.221 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826793588 601183496 /nfs/dbraw/zinc/18/34/96/601183496.db2.gz PZWCYWDGMJIFRS-UGKGYDQZSA-N 0 1 387.524 3.183 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000833183943 601183946 /nfs/dbraw/zinc/18/39/46/601183946.db2.gz APRXAKPLCYUYBQ-MZKRTTBSSA-N 0 1 384.520 3.392 20 0 GGADMN C[N@@H+](CCC(=O)NCC(=O)[O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830727081 601184122 /nfs/dbraw/zinc/18/41/22/601184122.db2.gz JOAUWYNGTXUIEK-LJQANCHMSA-N 0 1 378.831 3.091 20 0 GGADMN CN(CC(=O)[O-])C(=O)CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830693014 601184126 /nfs/dbraw/zinc/18/41/26/601184126.db2.gz XIFSLRNQAXRVCJ-FQEVSTJZSA-N 0 1 392.858 3.433 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000830785476 601193628 /nfs/dbraw/zinc/19/36/28/601193628.db2.gz VWMVWSXFCSDLEK-UHFFFAOYSA-N 0 1 387.455 3.441 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828176749 601196060 /nfs/dbraw/zinc/19/60/60/601196060.db2.gz JVYKUXRBPGNEDL-VQIMIIECSA-N 0 1 397.475 3.325 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC000826785640 601196145 /nfs/dbraw/zinc/19/61/45/601196145.db2.gz ABJFQVOBXOEEKD-IKGGRYGDSA-N 0 1 396.553 3.032 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828177871 601197894 /nfs/dbraw/zinc/19/78/94/601197894.db2.gz VHAJGCOIEUTMPI-OXQOHEQNSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000826051058 601202077 /nfs/dbraw/zinc/20/20/77/601202077.db2.gz ABNZGTIKVDAQPI-SGTLLEGYSA-N 0 1 381.388 3.017 20 0 GGADMN CC(C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1Br ZINC000819984403 607495322 /nfs/dbraw/zinc/49/53/22/607495322.db2.gz VCPIEJGKWXUOKJ-UHFFFAOYSA-N 0 1 376.258 3.290 20 0 GGADMN CC(C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1Br ZINC000819984403 607495323 /nfs/dbraw/zinc/49/53/23/607495323.db2.gz VCPIEJGKWXUOKJ-UHFFFAOYSA-N 0 1 376.258 3.290 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000263169175 601212247 /nfs/dbraw/zinc/21/22/47/601212247.db2.gz CXXATPASAYLQRB-OXQOHEQNSA-N 0 1 381.476 3.237 20 0 GGADMN CCC1CCC([N@@H+](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000829082216 601220314 /nfs/dbraw/zinc/22/03/14/601220314.db2.gz SMVAGXIDZBBAKR-MKJPBZQASA-N 0 1 385.508 3.180 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000831918491 601222007 /nfs/dbraw/zinc/22/20/07/601222007.db2.gz NJWRIMWCLUEBJT-IAGOWNOFSA-N 0 1 391.851 3.234 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000831918491 601222009 /nfs/dbraw/zinc/22/20/09/601222009.db2.gz NJWRIMWCLUEBJT-IAGOWNOFSA-N 0 1 391.851 3.234 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)cs1 ZINC000832978645 601226058 /nfs/dbraw/zinc/22/60/58/601226058.db2.gz ONQUTBLTDIYORQ-INIZCTEOSA-N 0 1 399.516 3.319 20 0 GGADMN O=C([O-])c1sc2ccccc2c1C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000833347619 601228641 /nfs/dbraw/zinc/22/86/41/601228641.db2.gz NQCVZVRPGDNYOY-UHFFFAOYSA-N 0 1 396.468 3.263 20 0 GGADMN COc1ccc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826193660 607499667 /nfs/dbraw/zinc/49/96/67/607499667.db2.gz KTFSYENAHNFHCR-SIFCLUCFSA-N 0 1 379.464 3.226 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000833009199 601235261 /nfs/dbraw/zinc/23/52/61/601235261.db2.gz MLIZPNQWBFRTRC-LLVKDONJSA-N 0 1 385.449 3.147 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000832919390 601267934 /nfs/dbraw/zinc/26/79/34/601267934.db2.gz HTMMDTFUFNZXBC-AWEZNQCLSA-N 0 1 399.472 3.227 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263307070 601270994 /nfs/dbraw/zinc/27/09/94/601270994.db2.gz XWOUSSCXVAAYLB-OXQOHEQNSA-N 0 1 381.476 3.095 20 0 GGADMN COc1ccc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1-c1nn[nH]n1 ZINC000826193662 607499726 /nfs/dbraw/zinc/49/97/26/607499726.db2.gz KTFSYENAHNFHCR-SXGZJXTBSA-N 0 1 379.464 3.226 20 0 GGADMN O=C([O-])c1n[nH]c2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc21 ZINC000833344239 601274971 /nfs/dbraw/zinc/27/49/71/601274971.db2.gz HQFKBFMWINUVFP-QGZVFWFLSA-N 0 1 382.395 3.003 20 0 GGADMN O=C([O-])c1n[nH]c2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc21 ZINC000833344239 601274973 /nfs/dbraw/zinc/27/49/73/601274973.db2.gz HQFKBFMWINUVFP-QGZVFWFLSA-N 0 1 382.395 3.003 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828456300 601289390 /nfs/dbraw/zinc/28/93/90/601289390.db2.gz KGTQNTXWAWPIRJ-DYESRHJHSA-N 0 1 380.488 3.344 20 0 GGADMN O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000833215244 601289430 /nfs/dbraw/zinc/28/94/30/601289430.db2.gz BHHAKBVFHPHGLG-OXQOHEQNSA-N 0 1 382.435 3.395 20 0 GGADMN O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000833215244 601289432 /nfs/dbraw/zinc/28/94/32/601289432.db2.gz BHHAKBVFHPHGLG-OXQOHEQNSA-N 0 1 382.435 3.395 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828456306 601289447 /nfs/dbraw/zinc/28/94/47/601289447.db2.gz KGTQNTXWAWPIRJ-UTKZUKDTSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828456303 601289537 /nfs/dbraw/zinc/28/95/37/601289537.db2.gz KGTQNTXWAWPIRJ-LAUBAEHRSA-N 0 1 380.488 3.344 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000831919371 601306599 /nfs/dbraw/zinc/30/65/99/601306599.db2.gz WSKUQLRFQABBKB-IMFGXOCKSA-N 0 1 399.487 3.086 20 0 GGADMN CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000828790049 601309350 /nfs/dbraw/zinc/30/93/50/601309350.db2.gz LKOPGSFPDYVTPG-IYBDPMFKSA-N 0 1 376.497 3.059 20 0 GGADMN CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000828790049 601309353 /nfs/dbraw/zinc/30/93/53/601309353.db2.gz LKOPGSFPDYVTPG-IYBDPMFKSA-N 0 1 376.497 3.059 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828257383 601316226 /nfs/dbraw/zinc/31/62/26/601316226.db2.gz BMTLQZDCBJXFDZ-OAHLLOKOSA-N 0 1 385.464 3.229 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710033 601318546 /nfs/dbraw/zinc/31/85/46/601318546.db2.gz UYHYRWGZDLFWLN-SPLOXXLWSA-N 0 1 383.492 3.181 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1)C(=O)[O-] ZINC000828710033 601318549 /nfs/dbraw/zinc/31/85/49/601318549.db2.gz UYHYRWGZDLFWLN-SPLOXXLWSA-N 0 1 383.492 3.181 20 0 GGADMN Cn1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833045399 601324077 /nfs/dbraw/zinc/32/40/77/601324077.db2.gz LJRIWEKXZUVFRT-GOSISDBHSA-N 0 1 395.381 3.116 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@H](c4ccccc4)[C@@H]3C)nc(=O)c12 ZINC000832852827 601329169 /nfs/dbraw/zinc/32/91/69/601329169.db2.gz LWNNZKNNCOPQJL-GXTWGEPZSA-N 0 1 383.473 3.369 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@@H](c4ccccc4)[C@@H]3C)nc(=O)c12 ZINC000832852827 601329170 /nfs/dbraw/zinc/32/91/70/601329170.db2.gz LWNNZKNNCOPQJL-GXTWGEPZSA-N 0 1 383.473 3.369 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829760263 601335769 /nfs/dbraw/zinc/33/57/69/601335769.db2.gz OXVGIZJGQJIBED-CVEARBPZSA-N 0 1 375.469 3.263 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829160286 601336737 /nfs/dbraw/zinc/33/67/37/601336737.db2.gz HCBAUVCDRGEBSM-ZIAGYGMSSA-N 0 1 397.422 3.467 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829758603 601336917 /nfs/dbraw/zinc/33/69/17/601336917.db2.gz AERTZCFYKOOYQK-SJORKVTESA-N 0 1 377.510 3.095 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000832849422 601342965 /nfs/dbraw/zinc/34/29/65/601342965.db2.gz ZMURGEKZRKHVSR-SMDDNHRTSA-N 0 1 378.270 3.488 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000832849422 601342967 /nfs/dbraw/zinc/34/29/67/601342967.db2.gz ZMURGEKZRKHVSR-SMDDNHRTSA-N 0 1 378.270 3.488 20 0 GGADMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000830975490 601379430 /nfs/dbraw/zinc/37/94/30/601379430.db2.gz NQTFXODXXUVQPS-OAHLLOKOSA-N 0 1 391.471 3.414 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000826026658 601382292 /nfs/dbraw/zinc/38/22/92/601382292.db2.gz PULGGDFJMBZGIW-AAEUAGOBSA-N 0 1 377.441 3.073 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000826026658 601382293 /nfs/dbraw/zinc/38/22/93/601382293.db2.gz PULGGDFJMBZGIW-AAEUAGOBSA-N 0 1 377.441 3.073 20 0 GGADMN C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826025894 601394657 /nfs/dbraw/zinc/39/46/57/601394657.db2.gz IDCBWAZCURWRLY-YYWHXJBOSA-N 0 1 380.488 3.477 20 0 GGADMN COc1ccc(OC2CC[NH+](Cn3nc(C(=O)[O-])c4ccccc43)CC2)cc1 ZINC000832439710 601397481 /nfs/dbraw/zinc/39/74/81/601397481.db2.gz ZWWZOCZXSNUPBU-UHFFFAOYSA-N 0 1 381.432 3.244 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000830368725 601415983 /nfs/dbraw/zinc/41/59/83/601415983.db2.gz ARDWRIILNNWWCZ-OAHLLOKOSA-N 0 1 375.400 3.075 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830859243 601418117 /nfs/dbraw/zinc/41/81/17/601418117.db2.gz BZWQLLUTCCHMLE-UHFFFAOYSA-N 0 1 399.491 3.356 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830859243 601418119 /nfs/dbraw/zinc/41/81/19/601418119.db2.gz BZWQLLUTCCHMLE-UHFFFAOYSA-N 0 1 399.491 3.356 20 0 GGADMN O=C([O-])C1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000833135255 601419985 /nfs/dbraw/zinc/41/99/85/601419985.db2.gz ZNHCVHYITJZKTM-QFIPXVFZSA-N 0 1 399.535 3.329 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000832915153 601423309 /nfs/dbraw/zinc/42/33/09/601423309.db2.gz HOAXOXMAOARFGM-XLIONFOSSA-N 0 1 395.503 3.227 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[C@H]1c1cccs1 ZINC000830927738 601423864 /nfs/dbraw/zinc/42/38/64/601423864.db2.gz CCDSHXBZZVWOHS-ZBFHGGJFSA-N 0 1 379.526 3.075 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1c1cccs1 ZINC000830927736 601423915 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GRLGDRQJKSNNOK-DLBZAZTESA-N 0 1 390.528 3.240 20 0 GGADMN Cc1cc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000832892430 601433255 /nfs/dbraw/zinc/43/32/55/601433255.db2.gz GRLGDRQJKSNNOK-IAGOWNOFSA-N 0 1 390.528 3.240 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000832892430 601433256 /nfs/dbraw/zinc/43/32/56/601433256.db2.gz GRLGDRQJKSNNOK-IAGOWNOFSA-N 0 1 390.528 3.240 20 0 GGADMN COc1ccc(OC)c([C@H](O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000832431344 601433718 /nfs/dbraw/zinc/43/37/18/601433718.db2.gz NMVZTAKHMFKDFU-KFKAGJAMSA-N 0 1 377.481 3.093 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000663148592 601474632 /nfs/dbraw/zinc/47/46/32/601474632.db2.gz SKJTWMCFIWSXRM-PZJWPPBQSA-N 0 1 378.472 3.109 20 0 GGADMN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ncc(-c2ccccc2Br)o1 ZINC000831586456 601487257 /nfs/dbraw/zinc/48/72/57/601487257.db2.gz XDOQLKFMEAMEJJ-MRXNPFEDSA-N 0 1 383.242 3.074 20 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C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422745 601539221 /nfs/dbraw/zinc/53/92/21/601539221.db2.gz JCURTBXIRIKMBD-JFGNBEQYSA-N 0 1 395.431 3.068 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422740 601539333 /nfs/dbraw/zinc/53/93/33/601539333.db2.gz JCURTBXIRIKMBD-CKYFFXLPSA-N 0 1 395.431 3.068 20 0 GGADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000833091510 601540281 /nfs/dbraw/zinc/54/02/81/601540281.db2.gz RSNSKSGYSDFDBT-KBXCAEBGSA-N 0 1 377.460 3.092 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000833195347 601543266 /nfs/dbraw/zinc/54/32/66/601543266.db2.gz BHOWBRUHNFTCQK-QFIPXVFZSA-N 0 1 375.424 3.466 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000833130865 601546572 /nfs/dbraw/zinc/54/65/72/601546572.db2.gz ZYHFZNZJIAIPEJ-PXNSSMCTSA-N 0 1 378.428 3.453 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826502165 607513455 /nfs/dbraw/zinc/51/34/55/607513455.db2.gz XIGYVYPRBZVMDX-ICSRJNTNSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826502165 607513456 /nfs/dbraw/zinc/51/34/56/607513456.db2.gz XIGYVYPRBZVMDX-ICSRJNTNSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502165 607513457 /nfs/dbraw/zinc/51/34/57/607513457.db2.gz XIGYVYPRBZVMDX-ICSRJNTNSA-N 0 1 378.480 3.130 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826502165 607513459 /nfs/dbraw/zinc/51/34/59/607513459.db2.gz XIGYVYPRBZVMDX-ICSRJNTNSA-N 0 1 378.480 3.130 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cs1)c1ccccc1F ZINC000825823362 601550768 /nfs/dbraw/zinc/55/07/68/601550768.db2.gz PULGBAACFRTOIK-RISCZKNCSA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cs1)c1ccccc1F ZINC000825823362 601550769 /nfs/dbraw/zinc/55/07/69/601550769.db2.gz PULGBAACFRTOIK-RISCZKNCSA-N 0 1 377.441 3.119 20 0 GGADMN O=C([O-])CC1([NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCCC1 ZINC000833205260 601555447 /nfs/dbraw/zinc/55/54/47/601555447.db2.gz WDVUOFUNQLTZJG-UHFFFAOYSA-N 0 1 398.385 3.287 20 0 GGADMN C[NH+](C)Cc1ccsc1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000830623874 601558239 /nfs/dbraw/zinc/55/82/39/601558239.db2.gz LUJDIKZISDXRIG-UHFFFAOYSA-N 0 1 376.463 3.212 20 0 GGADMN Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832863085 601563892 /nfs/dbraw/zinc/56/38/92/601563892.db2.gz JSCORIVBVAGWPJ-HXUWFJFHSA-N 0 1 396.487 3.161 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+](C)CCc3ccccn3)c2C(=O)[O-])C1 ZINC000828310001 601583455 /nfs/dbraw/zinc/58/34/55/601583455.db2.gz IGJBSICRAWIRRN-CYBMUJFWSA-N 0 1 387.505 3.079 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C)CCc3ccccn3)c2C(=O)[O-])C1 ZINC000828310001 601583456 /nfs/dbraw/zinc/58/34/56/601583456.db2.gz IGJBSICRAWIRRN-CYBMUJFWSA-N 0 1 387.505 3.079 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@H]1C ZINC000829753251 601586887 /nfs/dbraw/zinc/58/68/87/601586887.db2.gz NQLDGOUCMTWHLX-YPMHNXCESA-N 0 1 385.411 3.323 20 0 GGADMN Cc1cc(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)n1-c1nccs1 ZINC000832859857 601593971 /nfs/dbraw/zinc/59/39/71/601593971.db2.gz SZNPIAGNMBCFLU-OIISXLGYSA-N 0 1 387.505 3.451 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1C ZINC000831651314 601593982 /nfs/dbraw/zinc/59/39/82/601593982.db2.gz VVRYLWHEDLAUAB-WQCNXYOZSA-N 0 1 376.497 3.213 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000825977528 601597553 /nfs/dbraw/zinc/59/75/53/601597553.db2.gz JCIDZUDANIGBRK-AWEZNQCLSA-N 0 1 376.884 3.141 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C)c(C(=O)[O-])o3)CC2)cs1 ZINC000831501033 601611016 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C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828361984 601652394 /nfs/dbraw/zinc/65/23/94/601652394.db2.gz NMZPCMCJISPCSS-UZLBHIALSA-N 0 1 387.524 3.313 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1F ZINC000833312904 601658807 /nfs/dbraw/zinc/65/88/07/601658807.db2.gz JPZDDHSMSXUMKC-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1F ZINC000833312904 601658808 /nfs/dbraw/zinc/65/88/08/601658808.db2.gz JPZDDHSMSXUMKC-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@H]4COCC[C@@H]43)c2C(=O)[O-])C1 ZINC000828311317 601661916 /nfs/dbraw/zinc/66/19/16/601661916.db2.gz WQIPIGCWFMKUCK-NFAWXSAZSA-N 0 1 392.521 3.011 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@H]4COCC[C@H]43)c2C(=O)[O-])C1 ZINC000828311321 601661921 /nfs/dbraw/zinc/66/19/21/601661921.db2.gz WQIPIGCWFMKUCK-VNHYZAJKSA-N 0 1 392.521 3.011 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC(C)(C)C(=O)[O-])C1 ZINC000828162516 601666794 /nfs/dbraw/zinc/66/67/94/601666794.db2.gz WMCXRDVRGAWBCV-IYBDPMFKSA-N 0 1 375.513 3.075 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCC(C)(C)C(=O)[O-])cc2)C1 ZINC000828160718 601667435 /nfs/dbraw/zinc/66/74/35/601667435.db2.gz JJMFUHNBYWZQMD-IYBDPMFKSA-N 0 1 375.513 3.075 20 0 GGADMN Cc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832864377 601675166 /nfs/dbraw/zinc/67/51/66/601675166.db2.gz YBUCHXJXJCDNPF-UHFFFAOYSA-N 0 1 376.497 3.151 20 0 GGADMN Cc1cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000832864394 601675375 /nfs/dbraw/zinc/67/53/75/601675375.db2.gz ZGYXRIRUWUWWAI-IYBDPMFKSA-N 0 1 390.524 3.255 20 0 GGADMN Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832860291 601679444 /nfs/dbraw/zinc/67/94/44/601679444.db2.gz YYWYBWCKYSWVND-UHFFFAOYSA-N 0 1 376.497 3.103 20 0 GGADMN C[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827593023 601727509 /nfs/dbraw/zinc/72/75/09/601727509.db2.gz YVAYCXHXCBZLIN-MBSDFSHPSA-N 0 1 380.488 3.101 20 0 GGADMN C[C@@H](Cc1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827592909 601727657 /nfs/dbraw/zinc/72/76/57/601727657.db2.gz WKAQVQZRCQIJFJ-GAJHUEQPSA-N 0 1 398.478 3.240 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827592912 601727710 /nfs/dbraw/zinc/72/77/10/601727710.db2.gz WKAQVQZRCQIJFJ-UZUQRXQVSA-N 0 1 398.478 3.240 20 0 GGADMN O=C([O-])[C@]1(NC(=O)CCCc2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833098526 601728255 /nfs/dbraw/zinc/72/82/55/601728255.db2.gz VHHXXRFZKHZANR-QHCPKHFHSA-N 0 1 380.488 3.245 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cc3occc3s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128508 601728636 /nfs/dbraw/zinc/72/86/36/601728636.db2.gz IIOPNSUXEQIWMS-FQEVSTJZSA-N 0 1 384.457 3.344 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cccc(C(F)F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128431 601729945 /nfs/dbraw/zinc/72/99/45/601729945.db2.gz GAAPYNDPCUAYGR-OAQYLSRUSA-N 0 1 388.414 3.473 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2cccc(F)c2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128879 601730052 /nfs/dbraw/zinc/73/00/52/601730052.db2.gz OYNMLXHNVIOOSM-HXUWFJFHSA-N 0 1 390.842 3.328 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cccc(C(F)F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128429 601730100 /nfs/dbraw/zinc/73/01/00/601730100.db2.gz GAAPYNDPCUAYGR-NRFANRHFSA-N 0 1 388.414 3.473 20 0 GGADMN CSCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832770748 601731208 /nfs/dbraw/zinc/73/12/08/601731208.db2.gz DQTONWDFUPAERU-JOCHJYFZSA-N 0 1 398.528 3.399 20 0 GGADMN C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000825995043 601732630 /nfs/dbraw/zinc/73/26/30/601732630.db2.gz LMCIQACDUULRDX-OPAMFIHVSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Cc2cc3ccccc3o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116874 601733230 /nfs/dbraw/zinc/73/32/30/601733230.db2.gz IXJFMILDUXOQAK-QHCPKHFHSA-N 0 1 392.455 3.211 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2ccc(Cl)cc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128269 601733767 /nfs/dbraw/zinc/73/37/67/601733767.db2.gz BRYTVOAVHZXEGN-FQEVSTJZSA-N 0 1 390.842 3.328 20 0 GGADMN CCSc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000830169741 601734225 /nfs/dbraw/zinc/73/42/25/601734225.db2.gz WUUJQJUJKJEDFS-OAQYLSRUSA-N 0 1 399.516 3.043 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cccc3cccnc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128465 601734761 /nfs/dbraw/zinc/73/47/61/601734761.db2.gz GYFHSGUYGQXFOV-QHCPKHFHSA-N 0 1 389.455 3.084 20 0 GGADMN O=C(C[C@@H]1CCc2ccccc21)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833097341 601735010 /nfs/dbraw/zinc/73/50/10/601735010.db2.gz LNNSHXOCLZLZPN-RDPSFJRHSA-N 0 1 392.499 3.342 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2nccc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129239 601735188 /nfs/dbraw/zinc/73/51/88/601735188.db2.gz XMCKIFBLBSGGFE-HSZRJFAPSA-N 0 1 389.455 3.084 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2ccc(C(F)F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129126 601735366 /nfs/dbraw/zinc/73/53/66/601735366.db2.gz USZYBGJCKICBSI-NRFANRHFSA-N 0 1 388.414 3.473 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2nccc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129240 601735503 /nfs/dbraw/zinc/73/55/03/601735503.db2.gz XMCKIFBLBSGGFE-QHCPKHFHSA-N 0 1 389.455 3.084 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Cc2ccccc2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833119117 601736106 /nfs/dbraw/zinc/73/61/06/601736106.db2.gz YZQMICXETDSJOU-NRFANRHFSA-N 0 1 386.879 3.118 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CCC2CC2)c1-c1nn[nH]n1 ZINC000826233702 607524046 /nfs/dbraw/zinc/52/40/46/607524046.db2.gz SEXLHHQEUTVFGN-UHFFFAOYSA-N 0 1 385.516 3.071 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)C/C=C\c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833096034 601740906 /nfs/dbraw/zinc/74/09/06/601740906.db2.gz GGDYSQASYNKKND-IZPOICSHSA-N 0 1 396.462 3.465 20 0 GGADMN O=C([O-])[C@]1(NC(=O)C/C=C\c2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833096033 601740989 /nfs/dbraw/zinc/74/09/89/601740989.db2.gz GGDYSQASYNKKND-HEBQJAJPSA-N 0 1 396.462 3.465 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cncc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128416 601741295 /nfs/dbraw/zinc/74/12/95/601741295.db2.gz FEUCHHGYAHOPCZ-QHCPKHFHSA-N 0 1 389.455 3.084 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)C[C@H](C)O1 ZINC000828455384 601753280 /nfs/dbraw/zinc/75/32/80/601753280.db2.gz AWLXVRBUWBMSQR-GQIGUUNPSA-N 0 1 388.508 3.059 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)C[C@H](C)O1 ZINC000828455384 601753281 /nfs/dbraw/zinc/75/32/81/601753281.db2.gz AWLXVRBUWBMSQR-GQIGUUNPSA-N 0 1 388.508 3.059 20 0 GGADMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000828424890 601755651 /nfs/dbraw/zinc/75/56/51/601755651.db2.gz UOTIXFDNZCGXPR-WMLDXEAASA-N 0 1 379.526 3.245 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000833193585 601800359 /nfs/dbraw/zinc/80/03/59/601800359.db2.gz CYAUPGOVGVWHDX-OAHLLOKOSA-N 0 1 390.233 3.189 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000833193585 601800361 /nfs/dbraw/zinc/80/03/61/601800361.db2.gz CYAUPGOVGVWHDX-OAHLLOKOSA-N 0 1 390.233 3.189 20 0 GGADMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000833348437 601808030 /nfs/dbraw/zinc/80/80/30/601808030.db2.gz KPJWHATYZSZWLO-LBPRGKRZSA-N 0 1 379.869 3.345 20 0 GGADMN O=C([O-])c1sccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000833348221 601810079 /nfs/dbraw/zinc/81/00/79/601810079.db2.gz FGYZFLXYLHMLHS-UHFFFAOYSA-N 0 1 378.881 3.448 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000659774024 601814406 /nfs/dbraw/zinc/81/44/06/601814406.db2.gz GBXWIGBAJFPHBS-IAGOWNOFSA-N 0 1 388.508 3.013 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000831800396 601815902 /nfs/dbraw/zinc/81/59/02/601815902.db2.gz LFBOZWSXQKQAJA-YPMHNXCESA-N 0 1 383.901 3.082 20 0 GGADMN COCCn1c2ccc(Cl)cc2n(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000831800396 601815903 /nfs/dbraw/zinc/81/59/03/601815903.db2.gz LFBOZWSXQKQAJA-YPMHNXCESA-N 0 1 383.901 3.082 20 0 GGADMN CCOc1ccccc1Nc1nn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(=S)s1 ZINC000830109934 601816087 /nfs/dbraw/zinc/81/60/87/601816087.db2.gz SRVDHMFFCFNLCG-VXGBXAGGSA-N 0 1 394.522 3.426 20 0 GGADMN CCOc1ccccc1Nc1nn(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(=S)s1 ZINC000830109934 601816089 /nfs/dbraw/zinc/81/60/89/601816089.db2.gz SRVDHMFFCFNLCG-VXGBXAGGSA-N 0 1 394.522 3.426 20 0 GGADMN C[C@H]1C[N@@H+](Cn2ccn(-c3ccc(Br)cc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828463155 601818547 /nfs/dbraw/zinc/81/85/47/601818547.db2.gz OWNNTRPNZAOUDL-SMDDNHRTSA-N 0 1 396.310 3.381 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000832849193 601820916 /nfs/dbraw/zinc/82/09/16/601820916.db2.gz TYAYRVLWZRGVSP-QGZVFWFLSA-N 0 1 378.270 3.273 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000832849193 601820918 /nfs/dbraw/zinc/82/09/18/601820918.db2.gz TYAYRVLWZRGVSP-QGZVFWFLSA-N 0 1 378.270 3.273 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659392628 601823849 /nfs/dbraw/zinc/82/38/49/601823849.db2.gz OJABCZWJDXHPHY-UHFFFAOYSA-N 0 1 375.513 3.313 20 0 GGADMN C[N@H+](Cc1ccsc1C(=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830865702 601826397 /nfs/dbraw/zinc/82/63/97/601826397.db2.gz UHNQXAWHMJOIBG-ZDUSSCGKSA-N 0 1 389.395 3.337 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000659397407 601828266 /nfs/dbraw/zinc/82/82/66/601828266.db2.gz KSVODJCIVDCGSC-YLJYHZDGSA-N 0 1 387.524 3.326 20 0 GGADMN O=C([O-])CCC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000320643309 601838851 /nfs/dbraw/zinc/83/88/51/601838851.db2.gz NIWVPWRMJKLLPB-UHFFFAOYSA-N 0 1 384.230 3.169 20 0 GGADMN O=C([O-])CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000833224376 601844537 /nfs/dbraw/zinc/84/45/37/601844537.db2.gz AHTQVJZAUZCFSZ-UHFFFAOYSA-N 0 1 388.464 3.243 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000662218878 601844805 /nfs/dbraw/zinc/84/48/05/601844805.db2.gz VWOUYLHNACSSON-UHFFFAOYSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc(C(=O)[O-])c2)cc1F ZINC000821197113 601859363 /nfs/dbraw/zinc/85/93/63/601859363.db2.gz XJZJAFHQOMAWGD-UHFFFAOYSA-N 0 1 382.395 3.017 20 0 GGADMN O=C([O-])c1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000666523716 601865520 /nfs/dbraw/zinc/86/55/20/601865520.db2.gz BJJRCBUDIBPEGR-IBGZPJMESA-N 0 1 381.476 3.096 20 0 GGADMN O=C([O-])c1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000666527398 601868746 /nfs/dbraw/zinc/86/87/46/601868746.db2.gz CLMBHSDHDRORMU-SEJPIABJSA-N 0 1 393.487 3.380 20 0 GGADMN Cc1cc(F)c(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000832887290 601871178 /nfs/dbraw/zinc/87/11/78/601871178.db2.gz 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XTUDGSVPDJVOBD-UHFFFAOYSA-N 0 1 393.856 3.028 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000828023782 601923313 /nfs/dbraw/zinc/92/33/13/601923313.db2.gz BDZCDYYRTXAMLM-HXUWFJFHSA-N 0 1 385.489 3.109 20 0 GGADMN COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000831478617 601925298 /nfs/dbraw/zinc/92/52/98/601925298.db2.gz ANYGVALONQGKLN-JTQLQIEISA-N 0 1 383.466 3.219 20 0 GGADMN COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000831478617 601925300 /nfs/dbraw/zinc/92/53/00/601925300.db2.gz ANYGVALONQGKLN-JTQLQIEISA-N 0 1 383.466 3.219 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[N@H+]1Cc1ccccc1 ZINC000828177179 601930007 /nfs/dbraw/zinc/93/00/07/601930007.db2.gz OTTGGJSNWHOCOC-TZMCWYRMSA-N 0 1 389.402 3.448 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000449084642 601931911 /nfs/dbraw/zinc/93/19/11/601931911.db2.gz YMANKDQWTDBDSV-TZIWHRDSSA-N 0 1 386.879 3.342 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000449084640 601931942 /nfs/dbraw/zinc/93/19/42/601931942.db2.gz YMANKDQWTDBDSV-FPOVZHCZSA-N 0 1 386.879 3.342 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000826027729 601941557 /nfs/dbraw/zinc/94/15/57/601941557.db2.gz ZMRYOIRHBSHFHV-MGNBDDOMSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000263109972 601941991 /nfs/dbraw/zinc/94/19/91/601941991.db2.gz JNGJGUYHXBNRRQ-CTNGQTDRSA-N 0 1 384.501 3.019 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000826026059 601943723 /nfs/dbraw/zinc/94/37/23/601943723.db2.gz JSTUNVFQBPYGCE-ZMZPIMSZSA-N 0 1 377.441 3.073 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[C@@H](C)C1 ZINC000829754833 601947025 /nfs/dbraw/zinc/94/70/25/601947025.db2.gz YLRMEHMAYVUSFD-SMDDNHRTSA-N 0 1 385.411 3.180 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[C@H](C)C1 ZINC000829754820 601947104 /nfs/dbraw/zinc/94/71/04/601947104.db2.gz YLRMEHMAYVUSFD-BXUZGUMPSA-N 0 1 385.411 3.180 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)[C@H](C)C1 ZINC000829752754 601947135 /nfs/dbraw/zinc/94/71/35/601947135.db2.gz JLWMFJRCRKYZTL-PBHICJAKSA-N 0 1 377.485 3.366 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)[C@@H](C)C1 ZINC000829759930 601948013 /nfs/dbraw/zinc/94/80/13/601948013.db2.gz MQMORTVNHZBPDW-YOEHRIQHSA-N 0 1 379.526 3.198 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[C@@H](C)C1 ZINC000829760340 601949904 /nfs/dbraw/zinc/94/99/04/601949904.db2.gz PZWGTRQEEOXZSH-KXBFYZLASA-N 0 1 399.491 3.497 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[C@H](C)C1 ZINC000829760338 601949998 /nfs/dbraw/zinc/94/99/98/601949998.db2.gz PZWGTRQEEOXZSH-DNVCBOLYSA-N 0 1 399.491 3.497 20 0 GGADMN COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(C(=O)[O-])s3)C[C@H]2C)s1 ZINC000831378859 601961972 /nfs/dbraw/zinc/96/19/72/601961972.db2.gz HBJLNAYGRKDSSH-GFCCVEGCSA-N 0 1 394.518 3.001 20 0 GGADMN COC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc(C(=O)[O-])s3)C[C@H]2C)s1 ZINC000831378859 601961973 /nfs/dbraw/zinc/96/19/73/601961973.db2.gz HBJLNAYGRKDSSH-GFCCVEGCSA-N 0 1 394.518 3.001 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C(=O)[O-])s3)CC2)cs1 ZINC000831501922 601964912 /nfs/dbraw/zinc/96/49/12/601964912.db2.gz ZEDJKCVPODCQAS-CYBMUJFWSA-N 0 1 395.550 3.318 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)CCCN(C)C(=O)[O-])CCC[N@H+]2C)cc1 ZINC000832265708 601984709 /nfs/dbraw/zinc/98/47/09/601984709.db2.gz QGELDNOPRFDCMT-QFBILLFUSA-N 0 1 378.469 3.011 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)CCCN(C)C(=O)[O-])CCC[N@H+]2C)cc1 ZINC000832265703 601984942 /nfs/dbraw/zinc/98/49/42/601984942.db2.gz QGELDNOPRFDCMT-LPHOPBHVSA-N 0 1 378.469 3.011 20 0 GGADMN C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000825967184 602000176 /nfs/dbraw/zinc/00/01/76/602000176.db2.gz RLIQQBCMUYMDBN-KZULUSFZSA-N 0 1 394.393 3.209 20 0 GGADMN Cc1cccc(NCCNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)[nH+]1 ZINC000832971271 602021036 /nfs/dbraw/zinc/02/10/36/602021036.db2.gz UWLICFUXCCYKSW-UHFFFAOYSA-N 0 1 382.342 3.341 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000828168101 602023109 /nfs/dbraw/zinc/02/31/09/602023109.db2.gz MHAGKGQSDOVTDT-WMZOPIPTSA-N 0 1 391.471 3.119 20 0 GGADMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829163681 602023858 /nfs/dbraw/zinc/02/38/58/602023858.db2.gz ZYLYMADHXXUOTL-GJZGRUSLSA-N 0 1 385.386 3.494 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(N4CCCCC4=O)CC3)cs2)c1 ZINC000833325896 602029774 /nfs/dbraw/zinc/02/97/74/602029774.db2.gz BGPIYOVPHDYANY-UHFFFAOYSA-N 0 1 399.516 3.485 20 0 GGADMN CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000829860858 602034515 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ZINC000824612162 607568350 /nfs/dbraw/zinc/56/83/50/607568350.db2.gz JVUHNPNTTJKZGW-LIRRHRJNSA-N 0 1 399.520 3.343 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824612162 607568352 /nfs/dbraw/zinc/56/83/52/607568352.db2.gz JVUHNPNTTJKZGW-LIRRHRJNSA-N 0 1 399.520 3.343 20 0 GGADMN CCN(CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1)C1CC1 ZINC000825395546 607570667 /nfs/dbraw/zinc/57/06/67/607570667.db2.gz RGKRBQDUSUHBLJ-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(NC(=O)[O-])cc3)CC2)oc1C ZINC000738348938 602548526 /nfs/dbraw/zinc/54/85/26/602548526.db2.gz LHIMTGXQCRSLKF-UHFFFAOYSA-N 0 1 386.452 3.023 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)[C@H](C)C1 ZINC000737168280 602824330 /nfs/dbraw/zinc/82/43/30/602824330.db2.gz SDEJPQMYOLDTJU-PBHICJAKSA-N 0 1 378.473 3.035 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)[C@H](C)C1 ZINC000737168283 602824608 /nfs/dbraw/zinc/82/46/08/602824608.db2.gz SDEJPQMYOLDTJU-RHSMWYFYSA-N 0 1 378.473 3.035 20 0 GGADMN CN(CC(=O)OC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737405227 603148284 /nfs/dbraw/zinc/14/82/84/603148284.db2.gz FARSDUQLLDJIST-BBRMVZONSA-N 0 1 388.386 3.241 20 0 GGADMN CC(=O)N(c1nc(C[NH2+][C@@H]2CCCN(C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000736131154 603246654 /nfs/dbraw/zinc/24/66/54/603246654.db2.gz SFVQORAOATUANM-CQSZACIVSA-N 0 1 392.456 3.199 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736454467 603569637 /nfs/dbraw/zinc/56/96/37/603569637.db2.gz FRCAGCPBBWDUDV-UHFFFAOYSA-N 0 1 376.501 3.081 20 0 GGADMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000826421799 607657630 /nfs/dbraw/zinc/65/76/30/607657630.db2.gz ZTNIFXAFSGFYMD-UHFFFAOYSA-N 0 1 397.851 3.280 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000832845448 604283130 /nfs/dbraw/zinc/28/31/30/604283130.db2.gz FMSGIBCSCDRMEC-AWEZNQCLSA-N 0 1 383.492 3.492 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000832846024 604283353 /nfs/dbraw/zinc/28/33/53/604283353.db2.gz QJJNEQDLJWEKNQ-CQSZACIVSA-N 0 1 383.492 3.492 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000832846023 604283696 /nfs/dbraw/zinc/28/36/96/604283696.db2.gz QJJNEQDLJWEKNQ-AWEZNQCLSA-N 0 1 383.492 3.492 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000832846951 604286507 /nfs/dbraw/zinc/28/65/07/604286507.db2.gz ZZXBEDGTEWILRZ-UHFFFAOYSA-N 0 1 391.418 3.002 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000832846700 604299629 /nfs/dbraw/zinc/29/96/29/604299629.db2.gz NAUFEHUFANJIRO-AWEZNQCLSA-N 0 1 375.494 3.033 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000738163710 604319231 /nfs/dbraw/zinc/31/92/31/604319231.db2.gz PAZPICOBFREAOL-KDOFPFPSSA-N 0 1 383.492 3.455 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000738168918 604319505 /nfs/dbraw/zinc/31/95/05/604319505.db2.gz OENIBNOTCAWLNU-BETUJISGSA-N 0 1 385.464 3.191 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000738168918 604319509 /nfs/dbraw/zinc/31/95/09/604319509.db2.gz OENIBNOTCAWLNU-BETUJISGSA-N 0 1 385.464 3.191 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000738166705 604321315 /nfs/dbraw/zinc/32/13/15/604321315.db2.gz SOOCPYXGLAOGPV-UHFFFAOYSA-N 0 1 395.459 3.485 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000738166705 604321320 /nfs/dbraw/zinc/32/13/20/604321320.db2.gz SOOCPYXGLAOGPV-UHFFFAOYSA-N 0 1 395.459 3.485 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000827047819 604328004 /nfs/dbraw/zinc/32/80/04/604328004.db2.gz KWHKCPNQDUSKKB-WBVHZDCISA-N 0 1 375.469 3.120 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccc3nsnc31)CC2 ZINC000832103696 604332411 /nfs/dbraw/zinc/33/24/11/604332411.db2.gz XWSHAROOLLKBPG-MRXNPFEDSA-N 0 1 399.472 3.283 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc3nsnc31)CC2 ZINC000832103696 604332413 /nfs/dbraw/zinc/33/24/13/604332413.db2.gz XWSHAROOLLKBPG-MRXNPFEDSA-N 0 1 399.472 3.283 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826793459 604357326 /nfs/dbraw/zinc/35/73/26/604357326.db2.gz MWCGBJDZQZZKGG-UFYCRDLUSA-N 0 1 387.524 3.182 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000833173745 604357715 /nfs/dbraw/zinc/35/77/15/604357715.db2.gz VMOVNPFWUSJDRD-TZMCWYRMSA-N 0 1 377.699 3.277 20 0 GGADMN COCC[N@H+](CCC(=O)[O-])Cc1csc(-c2ccc(Br)cc2)n1 ZINC000831729894 604423166 /nfs/dbraw/zinc/42/31/66/604423166.db2.gz DZGGUWLKRIYTQW-UHFFFAOYSA-N 0 1 399.310 3.496 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1csc(-c2ccc(Br)cc2)n1 ZINC000831729894 604423167 /nfs/dbraw/zinc/42/31/67/604423167.db2.gz DZGGUWLKRIYTQW-UHFFFAOYSA-N 0 1 399.310 3.496 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC000584356178 604423538 /nfs/dbraw/zinc/42/35/38/604423538.db2.gz BUUFKHSCAWOBII-UHFFFAOYSA-N 0 1 389.423 3.151 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccsc1C(=O)[O-])CC2 ZINC000571887612 604423657 /nfs/dbraw/zinc/42/36/57/604423657.db2.gz DYMLCISIDFJJGA-UHFFFAOYSA-N 0 1 377.462 3.073 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(CC[C@H](C)[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831448776 604437151 /nfs/dbraw/zinc/43/71/51/604437151.db2.gz HMZOBGDORODVRG-HNNXBMFYSA-N 0 1 394.471 3.281 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(CC[C@@H](C)[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831448777 604437354 /nfs/dbraw/zinc/43/73/54/604437354.db2.gz HMZOBGDORODVRG-OAHLLOKOSA-N 0 1 394.471 3.281 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000832049072 604455411 /nfs/dbraw/zinc/45/54/11/604455411.db2.gz FEPMMDPVBWFPEH-OAQYLSRUSA-N 0 1 384.476 3.037 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000832049072 604455413 /nfs/dbraw/zinc/45/54/13/604455413.db2.gz FEPMMDPVBWFPEH-OAQYLSRUSA-N 0 1 384.476 3.037 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000832049072 604455415 /nfs/dbraw/zinc/45/54/15/604455415.db2.gz FEPMMDPVBWFPEH-OAQYLSRUSA-N 0 1 384.476 3.037 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828257609 604456370 /nfs/dbraw/zinc/45/63/70/604456370.db2.gz GOWZQRRGDOFEGX-FUHWJXTLSA-N 0 1 375.513 3.402 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828257611 604456512 /nfs/dbraw/zinc/45/65/12/604456512.db2.gz GOWZQRRGDOFEGX-WMZOPIPTSA-N 0 1 375.513 3.402 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000832050141 604456646 /nfs/dbraw/zinc/45/66/46/604456646.db2.gz MXOAUYUGNWMTEZ-JOCHJYFZSA-N 0 1 398.503 3.346 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CCCN(Cc3ccccc3C)CC2)c1 ZINC000832050141 604456649 /nfs/dbraw/zinc/45/66/49/604456649.db2.gz MXOAUYUGNWMTEZ-JOCHJYFZSA-N 0 1 398.503 3.346 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCCN(Cc3ccccc3C)CC2)c1 ZINC000832050141 604456651 /nfs/dbraw/zinc/45/66/51/604456651.db2.gz MXOAUYUGNWMTEZ-JOCHJYFZSA-N 0 1 398.503 3.346 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC000832394227 604456986 /nfs/dbraw/zinc/45/69/86/604456986.db2.gz OHTRFPPCQUWBEL-MAZHCROVSA-N 0 1 380.872 3.395 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000832265010 604457655 /nfs/dbraw/zinc/45/76/55/604457655.db2.gz JAFOFAKUEIPBNI-IBGZPJMESA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000832265010 604457657 /nfs/dbraw/zinc/45/76/57/604457657.db2.gz JAFOFAKUEIPBNI-IBGZPJMESA-N 0 1 388.508 3.468 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCCN(c3ccc(C)cc3)CC2)c1 ZINC000832048979 604458401 /nfs/dbraw/zinc/45/84/01/604458401.db2.gz BTUJQJDUXOMLBW-NRFANRHFSA-N 0 1 384.476 3.350 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C3(C(=O)[O-])CCCC3)ccc2c1 ZINC000832504273 604459272 /nfs/dbraw/zinc/45/92/72/604459272.db2.gz LDXABUBLUPOKNN-UHFFFAOYSA-N 0 1 384.476 3.136 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)C3(C(=O)[O-])CCCC3)ccc2c1 ZINC000832504273 604459275 /nfs/dbraw/zinc/45/92/75/604459275.db2.gz LDXABUBLUPOKNN-UHFFFAOYSA-N 0 1 384.476 3.136 20 0 GGADMN C[C@@H](CNc1nc[nH+]c(NC[C@@H](C)c2ccncc2)c1C(=O)[O-])c1ccncc1 ZINC000827511891 604459850 /nfs/dbraw/zinc/45/98/50/604459850.db2.gz BSYRRRFISVTYTI-GASCZTMLSA-N 0 1 392.463 3.396 20 0 GGADMN C[C@@H](CNc1[nH+]cnc(NC[C@@H](C)c2ccncc2)c1C(=O)[O-])c1ccncc1 ZINC000827511891 604459852 /nfs/dbraw/zinc/45/98/52/604459852.db2.gz BSYRRRFISVTYTI-GASCZTMLSA-N 0 1 392.463 3.396 20 0 GGADMN C[C@H](Cc1ccncc1)Nc1nc[nH+]c(N[C@H](C)Cc2ccncc2)c1C(=O)[O-] ZINC000827597466 604459862 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AHEDJRNLRSEBBM-CSODHUTKSA-N 0 1 390.524 3.416 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000832040208 604475111 /nfs/dbraw/zinc/47/51/11/604475111.db2.gz AHEDJRNLRSEBBM-LLGFUMIMSA-N 0 1 390.524 3.416 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000578899693 604479159 /nfs/dbraw/zinc/47/91/59/604479159.db2.gz CNPPKGZIDUCXHC-UTKZUKDTSA-N 0 1 385.460 3.368 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000832040249 604480114 /nfs/dbraw/zinc/48/01/14/604480114.db2.gz BKHXJDYIFDSTPS-NQIIRXRSSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000832040249 604480116 /nfs/dbraw/zinc/48/01/16/604480116.db2.gz BKHXJDYIFDSTPS-NQIIRXRSSA-N 0 1 384.476 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000832040249 604480117 /nfs/dbraw/zinc/48/01/17/604480117.db2.gz BKHXJDYIFDSTPS-NQIIRXRSSA-N 0 1 384.476 3.036 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000826096363 604482428 /nfs/dbraw/zinc/48/24/28/604482428.db2.gz UKEIRMIBOWPCEY-IBGZPJMESA-N 0 1 381.476 3.154 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000830250214 604483672 /nfs/dbraw/zinc/48/36/72/604483672.db2.gz XGOVMIJXBJYLEL-HNNXBMFYSA-N 0 1 396.915 3.359 20 0 GGADMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000827586032 604487565 /nfs/dbraw/zinc/48/75/65/604487565.db2.gz FBUAGKFPCUPKJC-LBPRGKRZSA-N 0 1 388.489 3.142 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1)C(=O)[O-] ZINC000833537859 604519952 /nfs/dbraw/zinc/51/99/52/604519952.db2.gz PFRWTZGLBXMWPI-ZDUSSCGKSA-N 0 1 376.840 3.262 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1)C(=O)[O-] ZINC000833537859 604519955 /nfs/dbraw/zinc/51/99/55/604519955.db2.gz PFRWTZGLBXMWPI-ZDUSSCGKSA-N 0 1 376.840 3.262 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1C ZINC000829752060 604520444 /nfs/dbraw/zinc/52/04/44/604520444.db2.gz CJWBSMBITISKET-BPQIPLTHSA-N 0 1 375.513 3.353 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@@H]1C ZINC000829752068 604520448 /nfs/dbraw/zinc/52/04/48/604520448.db2.gz CJWBSMBITISKET-RYQLBKOJSA-N 0 1 375.513 3.353 20 0 GGADMN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830756306 604523567 /nfs/dbraw/zinc/52/35/67/604523567.db2.gz YJTUTMOQPCOABM-QZTJIDSGSA-N 0 1 375.513 3.354 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829163349 604525216 /nfs/dbraw/zinc/52/52/16/604525216.db2.gz XFTZXXRSDNCUSD-QRVBRYPASA-N 0 1 387.524 3.497 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1)C(=O)[O-] ZINC000833544429 604526441 /nfs/dbraw/zinc/52/64/41/604526441.db2.gz XMBQGVMWUJOIGW-SJLPKXTDSA-N 0 1 398.507 3.236 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829457695 604534636 /nfs/dbraw/zinc/53/46/36/604534636.db2.gz DSTIGMLRURGKSJ-AEFFLSMTSA-N 0 1 375.513 3.212 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829457812 604535032 /nfs/dbraw/zinc/53/50/32/604535032.db2.gz DSTIGMLRURGKSJ-WMZOPIPTSA-N 0 1 375.513 3.212 20 0 GGADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833011403 604535486 /nfs/dbraw/zinc/53/54/86/604535486.db2.gz VLMJVTUURZMQCH-MSOLQXFVSA-N 0 1 384.480 3.218 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550675 604560147 /nfs/dbraw/zinc/56/01/47/604560147.db2.gz YFEGQXKQGWVGFN-UZLBHIALSA-N 0 1 381.476 3.062 20 0 GGADMN CCC(CC)n1nccc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000828874271 604561872 /nfs/dbraw/zinc/56/18/72/604561872.db2.gz BVASFBKMPBRZEW-JOCHJYFZSA-N 0 1 398.507 3.093 20 0 GGADMN 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3.114 20 0 GGADMN O=C([O-])c1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1F ZINC000833309066 604763215 /nfs/dbraw/zinc/76/32/15/604763215.db2.gz XPNWTMNHHVTSPT-UHFFFAOYSA-N 0 1 383.379 3.073 20 0 GGADMN O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000833771015 604763326 /nfs/dbraw/zinc/76/33/26/604763326.db2.gz SZNBUHJNLYAPGR-ZDUSSCGKSA-N 0 1 385.304 3.382 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833654456 604767546 /nfs/dbraw/zinc/76/75/46/604767546.db2.gz QPFXBVSQHOZEGU-FQEVSTJZSA-N 0 1 380.488 3.298 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000831230733 604769906 /nfs/dbraw/zinc/76/99/06/604769906.db2.gz JTIVONJZPUEHON-CHWSQXEVSA-N 0 1 394.493 3.134 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000833504623 604770237 /nfs/dbraw/zinc/77/02/37/604770237.db2.gz DMQIIXWQZISJRZ-FQEVSTJZSA-N 0 1 394.475 3.244 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000833504626 604770263 /nfs/dbraw/zinc/77/02/63/604770263.db2.gz DMQIIXWQZISJRZ-HXUWFJFHSA-N 0 1 394.475 3.244 20 0 GGADMN Cc1oc(C)c(S(=O)(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1C(=O)[O-] ZINC000832932550 604772768 /nfs/dbraw/zinc/77/27/68/604772768.db2.gz ONVOGJZAJYXVLV-UHFFFAOYSA-N 0 1 392.477 3.300 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833544497 604773047 /nfs/dbraw/zinc/77/30/47/604773047.db2.gz YTKSLUUARCEPSA-HLLBOEOZSA-N 0 1 392.496 3.416 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833629266 604773673 /nfs/dbraw/zinc/77/36/73/604773673.db2.gz GURXIZOPVGLQER-UTKZUKDTSA-N 0 1 380.488 3.344 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)cc1)C(=O)[O-] ZINC000833541896 604774931 /nfs/dbraw/zinc/77/49/31/604774931.db2.gz PEWLEFJYSLAHPC-VFNWGFHPSA-N 0 1 389.879 3.371 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537014 604775029 /nfs/dbraw/zinc/77/50/29/604775029.db2.gz FXDOZEMHJTXERF-VRHCTWJESA-N 0 1 377.387 3.125 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537014 604775031 /nfs/dbraw/zinc/77/50/31/604775031.db2.gz FXDOZEMHJTXERF-VRHCTWJESA-N 0 1 377.387 3.125 20 0 GGADMN COC(=O)c1ccccc1C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833716908 604775589 /nfs/dbraw/zinc/77/55/89/604775589.db2.gz GYRFGYXDKLIJAU-MRXNPFEDSA-N 0 1 392.249 3.493 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833595751 604777359 /nfs/dbraw/zinc/77/73/59/604777359.db2.gz HQTAWVYZUKXUIV-XLIONFOSSA-N 0 1 380.488 3.487 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H]1N1CCOCC1 ZINC000829151973 604781363 /nfs/dbraw/zinc/78/13/63/604781363.db2.gz VILBEWODDKAVFE-XJKSGUPXSA-N 0 1 392.496 3.281 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833654242 604787797 /nfs/dbraw/zinc/78/77/97/604787797.db2.gz INCOBFKKXGCYTH-LJQANCHMSA-N 0 1 380.488 3.298 20 0 GGADMN C[C@@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000825983400 604789494 /nfs/dbraw/zinc/78/94/94/604789494.db2.gz XUBHKSXYXUSFQW-KRWDZBQOSA-N 0 1 395.503 3.308 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Cc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833592607 604794548 /nfs/dbraw/zinc/79/45/48/604794548.db2.gz SAXYFHVITCDPIE-FXAWDEMLSA-N 0 1 380.488 3.344 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000829143065 604797476 /nfs/dbraw/zinc/79/74/76/604797476.db2.gz XGDGZNFZKJVLPA-JLZZUVOBSA-N 0 1 387.307 3.162 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000829143067 604797702 /nfs/dbraw/zinc/79/77/02/604797702.db2.gz XGDGZNFZKJVLPA-OAUYIBNBSA-N 0 1 387.307 3.162 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000829143059 604797828 /nfs/dbraw/zinc/79/78/28/604797828.db2.gz XGDGZNFZKJVLPA-CSMYWGQOSA-N 0 1 387.307 3.162 20 0 GGADMN C[C@]1([NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCC[C@@H]1C(=O)[O-] ZINC000833570702 604820778 /nfs/dbraw/zinc/82/07/78/604820778.db2.gz NMDVECYHTMNAAI-DIFFPNOSSA-N 0 1 398.385 3.143 20 0 GGADMN C[C@]1([NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCC[C@H]1C(=O)[O-] ZINC000833570705 604820864 /nfs/dbraw/zinc/82/08/64/604820864.db2.gz NMDVECYHTMNAAI-GTNSWQLSSA-N 0 1 398.385 3.143 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[N@H+]1Cc1ccccc1 ZINC000833600587 604841421 /nfs/dbraw/zinc/84/14/21/604841421.db2.gz MDAQVGADFHJMTR-HRAATJIYSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833548693 604847614 /nfs/dbraw/zinc/84/76/14/604847614.db2.gz RNTAVBYHXWTREA-CYBMUJFWSA-N 0 1 388.414 3.241 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833548693 604847618 /nfs/dbraw/zinc/84/76/18/604847618.db2.gz RNTAVBYHXWTREA-CYBMUJFWSA-N 0 1 388.414 3.241 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000826885787 604847607 /nfs/dbraw/zinc/84/76/07/604847607.db2.gz ITDGMSOONLQTOQ-KRWDZBQOSA-N 0 1 376.501 3.286 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C(=O)[O-] ZINC000830835125 604848590 /nfs/dbraw/zinc/84/85/90/604848590.db2.gz BZHJDBQCAUQYJG-QFBILLFUSA-N 0 1 386.496 3.277 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000833282847 604849627 /nfs/dbraw/zinc/84/96/27/604849627.db2.gz LHGHDAXBQCQOFL-YVEFUNNKSA-N 0 1 376.432 3.396 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417222 604857464 /nfs/dbraw/zinc/85/74/64/604857464.db2.gz NELLUQWYEADMKQ-HKUYNNGSSA-N 0 1 394.471 3.295 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000833544956 604859378 /nfs/dbraw/zinc/85/93/78/604859378.db2.gz CBPOCOOMJSWTEF-POZUXBRTSA-N 0 1 384.501 3.427 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000833420244 604864385 /nfs/dbraw/zinc/86/43/85/604864385.db2.gz PPGFEEJFBHFRGC-NSHDSACASA-N 0 1 397.269 3.137 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000833438885 604866093 /nfs/dbraw/zinc/86/60/93/604866093.db2.gz GXUCLRBHCQEOTJ-KZNAEPCWSA-N 0 1 389.496 3.319 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000833419121 604866171 /nfs/dbraw/zinc/86/61/71/604866171.db2.gz FYLAKEGBLSEMOQ-CQSZACIVSA-N 0 1 394.566 3.499 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000833419121 604866174 /nfs/dbraw/zinc/86/61/74/604866174.db2.gz FYLAKEGBLSEMOQ-CQSZACIVSA-N 0 1 394.566 3.499 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc(Br)cc32)C1 ZINC000833418868 604866286 /nfs/dbraw/zinc/86/62/86/604866286.db2.gz BXZIEASXQNZDGM-NSHDSACASA-N 0 1 397.269 3.137 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc(Br)cc32)C1 ZINC000833418868 604866288 /nfs/dbraw/zinc/86/62/88/604866288.db2.gz BXZIEASXQNZDGM-NSHDSACASA-N 0 1 397.269 3.137 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C)cc1 ZINC000832264655 604885974 /nfs/dbraw/zinc/88/59/74/604885974.db2.gz FBJHZJGTORMLJJ-KXBFYZLASA-N 0 1 387.407 3.382 20 0 GGADMN O=C([O-])[C@]1(NC(=O)[C@H]2CCCc3sccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128326 604887626 /nfs/dbraw/zinc/88/76/26/604887626.db2.gz DFBNQAFXLCMMGJ-AVRDEDQJSA-N 0 1 398.528 3.404 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(CCC(=O)[O-])CC4)nc(N)c32)C1 ZINC000833617988 604908690 /nfs/dbraw/zinc/90/86/90/604908690.db2.gz XXEDISHMMXTAQG-GFCCVEGCSA-N 0 1 388.537 3.475 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 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QRBJBHXPJHCVPY-ZDUSSCGKSA-N 0 1 392.521 3.012 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833667905 604932195 /nfs/dbraw/zinc/93/21/95/604932195.db2.gz LIOMEBWYEFKWBN-YJBOKZPZSA-N 0 1 389.883 3.412 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000833667905 604932197 /nfs/dbraw/zinc/93/21/97/604932197.db2.gz LIOMEBWYEFKWBN-YJBOKZPZSA-N 0 1 389.883 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000833421684 604932816 /nfs/dbraw/zinc/93/28/16/604932816.db2.gz YGAMYNVHXWVMST-GFCCVEGCSA-N 0 1 388.386 3.347 20 0 GGADMN C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000833597792 604933367 /nfs/dbraw/zinc/93/33/67/604933367.db2.gz NFLRLJFYSUHPTL-GHMZBOCLSA-N 0 1 394.880 3.160 20 0 GGADMN C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000833597792 604933370 /nfs/dbraw/zinc/93/33/70/604933370.db2.gz NFLRLJFYSUHPTL-GHMZBOCLSA-N 0 1 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ZINC000833487209 605101746 /nfs/dbraw/zinc/10/17/46/605101746.db2.gz GSWQLWZQYOTWMW-QGZVFWFLSA-N 0 1 379.526 3.246 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000833623932 605102981 /nfs/dbraw/zinc/10/29/81/605102981.db2.gz HEZYAZLJBBWREY-AWEZNQCLSA-N 0 1 388.414 3.253 20 0 GGADMN C/C(=C/C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000833382383 605104260 /nfs/dbraw/zinc/10/42/60/605104260.db2.gz MUMUARZGWOTLAG-FZDNWWAKSA-N 0 1 384.398 3.116 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833440275 605105628 /nfs/dbraw/zinc/10/56/28/605105628.db2.gz WKIAHABPOMYTLJ-DLBZAZTESA-N 0 1 377.485 3.467 20 0 GGADMN C[C@@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccccc1C(F)(F)F ZINC000833513974 605110666 /nfs/dbraw/zinc/11/06/66/605110666.db2.gz MCOHAQRDVNMDSI-UONOGXRCSA-N 0 1 386.414 3.206 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)sc1-c1ccc(F)cc1 ZINC000833742312 605112966 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398.301 3.485 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC[N@H+]1C ZINC000833595776 605132451 /nfs/dbraw/zinc/13/24/51/605132451.db2.gz HTBIVGCELIAXCS-JQWIXIFHSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000833622847 605135107 /nfs/dbraw/zinc/13/51/07/605135107.db2.gz GVGOKYHQSMPFNP-SFHVURJKSA-N 0 1 395.503 3.009 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@@H]1C ZINC000833658923 605145886 /nfs/dbraw/zinc/14/58/86/605145886.db2.gz WJCQYGWCNRTTQI-WDEREUQCSA-N 0 1 388.295 3.045 20 0 GGADMN CC[N@H+]1C[C@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@H]1C ZINC000833658921 605146619 /nfs/dbraw/zinc/14/66/19/605146619.db2.gz WJCQYGWCNRTTQI-MNOVXSKESA-N 0 1 388.295 3.045 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(C(=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000833593339 605147195 /nfs/dbraw/zinc/14/71/95/605147195.db2.gz WMERMNSJTMKQIW-DOTOQJQBSA-N 0 1 385.464 3.078 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1Cc1ccccc1 ZINC000833592355 605147669 /nfs/dbraw/zinc/14/76/69/605147669.db2.gz QIZZLHZIQGVPND-HKUYNNGSSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1Cc1ccccc1 ZINC000833592358 605147718 /nfs/dbraw/zinc/14/77/18/605147718.db2.gz QIZZLHZIQGVPND-IEBWSBKVSA-N 0 1 387.524 3.231 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@@H]1C ZINC000833658002 605160376 /nfs/dbraw/zinc/16/03/76/605160376.db2.gz PGVUCXRTBMJPDX-LSDHHAIUSA-N 0 1 379.526 3.341 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C[C@H]1C ZINC000833659169 605161746 /nfs/dbraw/zinc/16/17/46/605161746.db2.gz YVBNEBMPHCDKCW-CABCVRRESA-N 0 1 385.464 3.250 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C[C@@H]1C ZINC000833659170 605161928 /nfs/dbraw/zinc/16/19/28/605161928.db2.gz YVBNEBMPHCDKCW-GJZGRUSLSA-N 0 1 385.464 3.250 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C[C@@H]1C ZINC000833659172 605162039 /nfs/dbraw/zinc/16/20/39/605162039.db2.gz YVBNEBMPHCDKCW-LSDHHAIUSA-N 0 1 385.464 3.250 20 0 GGADMN CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000833636034 605163415 /nfs/dbraw/zinc/16/34/15/605163415.db2.gz FDLXSRXJJZMYKQ-XJKSGUPXSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000666538886 605164800 /nfs/dbraw/zinc/16/48/00/605164800.db2.gz XDPFICUBYTVBLC-FXAWDEMLSA-N 0 1 395.503 3.485 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)NCc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000666538887 605164954 /nfs/dbraw/zinc/16/49/54/605164954.db2.gz XDPFICUBYTVBLC-PXNSSMCTSA-N 0 1 395.503 3.485 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000833619557 605168177 /nfs/dbraw/zinc/16/81/77/605168177.db2.gz JDBITKABLXYDKT-GFCCVEGCSA-N 0 1 385.291 3.032 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833613556 605170031 /nfs/dbraw/zinc/17/00/31/605170031.db2.gz AHJHONVWPLYJGK-OAHLLOKOSA-N 0 1 382.464 3.476 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833630059 605177377 /nfs/dbraw/zinc/17/73/77/605177377.db2.gz OYOFILATPGPHNN-QWHZDKJVSA-N 0 1 382.464 3.058 20 0 GGADMN C[C@H]1C[N@H+](Cc2cccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2)CCO1 ZINC000519407501 605179112 /nfs/dbraw/zinc/17/91/12/605179112.db2.gz MTJKYMVBPFPBND-AWEZNQCLSA-N 0 1 385.420 3.126 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2)CCO1 ZINC000519407501 605179114 /nfs/dbraw/zinc/17/91/14/605179114.db2.gz MTJKYMVBPFPBND-AWEZNQCLSA-N 0 1 385.420 3.126 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Nc2cncc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833594920 605179754 /nfs/dbraw/zinc/17/97/54/605179754.db2.gz BXJMVGWVXSYEAO-KXBFYZLASA-N 0 1 382.464 3.297 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)NC(=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000833497440 605185869 /nfs/dbraw/zinc/18/58/69/605185869.db2.gz BEDOPVJPRGDQFQ-MAUKXSAKSA-N 0 1 377.485 3.061 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC/C=C/c1ccc(Br)cc1 ZINC000833628398 605196656 /nfs/dbraw/zinc/19/66/56/605196656.db2.gz HNRWZIIQWMPPOI-OMDKTOEGSA-N 0 1 381.314 3.333 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000833628398 605196658 /nfs/dbraw/zinc/19/66/58/605196658.db2.gz HNRWZIIQWMPPOI-OMDKTOEGSA-N 0 1 381.314 3.333 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000833628398 605196660 /nfs/dbraw/zinc/19/66/60/605196660.db2.gz HNRWZIIQWMPPOI-OMDKTOEGSA-N 0 1 381.314 3.333 20 0 GGADMN Cc1nc(C)n([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000833755443 605205336 /nfs/dbraw/zinc/20/53/36/605205336.db2.gz NEVLPCXRADCXBR-HZPDHXFCSA-N 0 1 393.285 3.120 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c(C)n1[C@H](C)c1ccccc1 ZINC000833742448 605206274 /nfs/dbraw/zinc/20/62/74/605206274.db2.gz NHTWFMQMGWBHCI-QZTJIDSGSA-N 0 1 397.519 3.335 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833462474 605209058 /nfs/dbraw/zinc/20/90/58/605209058.db2.gz BSYKSFFHTNHPRT-OAHLLOKOSA-N 0 1 385.464 3.024 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833462474 605209063 /nfs/dbraw/zinc/20/90/63/605209063.db2.gz BSYKSFFHTNHPRT-OAHLLOKOSA-N 0 1 385.464 3.024 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC000364248592 605214879 /nfs/dbraw/zinc/21/48/79/605214879.db2.gz KSNCZBSJEQXAHN-SFHVURJKSA-N 0 1 398.459 3.184 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000364248592 605214882 /nfs/dbraw/zinc/21/48/82/605214882.db2.gz KSNCZBSJEQXAHN-SFHVURJKSA-N 0 1 398.459 3.184 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC000364248591 605215036 /nfs/dbraw/zinc/21/50/36/605215036.db2.gz KSNCZBSJEQXAHN-GOSISDBHSA-N 0 1 398.459 3.184 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000364248591 605215043 /nfs/dbraw/zinc/21/50/43/605215043.db2.gz KSNCZBSJEQXAHN-GOSISDBHSA-N 0 1 398.459 3.184 20 0 GGADMN CC(C)[N@H+](CCOc1ccccc1C(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000583698454 605215077 /nfs/dbraw/zinc/21/50/77/605215077.db2.gz AXJHHZBFUCOKNW-UHFFFAOYSA-N 0 1 381.432 3.323 20 0 GGADMN CC(C)[N@@H+](CCOc1ccccc1C(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000583698454 605215081 /nfs/dbraw/zinc/21/50/81/605215081.db2.gz AXJHHZBFUCOKNW-UHFFFAOYSA-N 0 1 381.432 3.323 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000833678156 605215653 /nfs/dbraw/zinc/21/56/53/605215653.db2.gz JXHXQQGGFJOTOH-CQSZACIVSA-N 0 1 382.254 3.468 20 0 GGADMN C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833524306 605217918 /nfs/dbraw/zinc/21/79/18/605217918.db2.gz COJBDYZRQIVNIE-UWJYYQICSA-N 0 1 383.492 3.498 20 0 GGADMN C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833524306 605217924 /nfs/dbraw/zinc/21/79/24/605217924.db2.gz COJBDYZRQIVNIE-UWJYYQICSA-N 0 1 383.492 3.498 20 0 GGADMN C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833524303 605218334 /nfs/dbraw/zinc/21/83/34/605218334.db2.gz COJBDYZRQIVNIE-DYESRHJHSA-N 0 1 383.492 3.498 20 0 GGADMN C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833524303 605218339 /nfs/dbraw/zinc/21/83/39/605218339.db2.gz COJBDYZRQIVNIE-DYESRHJHSA-N 0 1 383.492 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)[O-])c1ccccc1F ZINC000833437885 605222057 /nfs/dbraw/zinc/22/20/57/605222057.db2.gz XJUHHYKPHGZGGK-KEYYUXOJSA-N 0 1 378.444 3.425 20 0 GGADMN O=C([O-])CCC[NH+]1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000833773728 605223309 /nfs/dbraw/zinc/22/33/09/605223309.db2.gz QCKGQEHQQXFKSY-UHFFFAOYSA-N 0 1 392.503 3.444 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000833773728 605223311 /nfs/dbraw/zinc/22/33/11/605223311.db2.gz QCKGQEHQQXFKSY-UHFFFAOYSA-N 0 1 392.503 3.444 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000833772838 605225736 /nfs/dbraw/zinc/22/57/36/605225736.db2.gz CGGZQNLFOCHKEF-QGZVFWFLSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCC[NH+]1CCC(N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000833772838 605225738 /nfs/dbraw/zinc/22/57/38/605225738.db2.gz CGGZQNLFOCHKEF-QGZVFWFLSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000833773438 605226426 /nfs/dbraw/zinc/22/64/26/605226426.db2.gz NJQQLPRVDUFQEA-QGZVFWFLSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCC[NH+]1CCC(N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000833773438 605226429 /nfs/dbraw/zinc/22/64/29/605226429.db2.gz NJQQLPRVDUFQEA-QGZVFWFLSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000833774141 605226599 /nfs/dbraw/zinc/22/65/99/605226599.db2.gz YIIGXKMLIKRXLM-UHFFFAOYSA-N 0 1 394.943 3.307 20 0 GGADMN CN1CC[C@@H](NC2CC[NH+](CCCC(=O)[O-])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833697095 605227992 /nfs/dbraw/zinc/22/79/92/605227992.db2.gz CVWWWTROFMVNHK-UYAOXDASSA-N 0 1 397.922 3.143 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833499352 605233348 /nfs/dbraw/zinc/23/33/48/605233348.db2.gz LEZILXLZYNMOSL-GJZGRUSLSA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)NC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833499352 605233351 /nfs/dbraw/zinc/23/33/51/605233351.db2.gz LEZILXLZYNMOSL-GJZGRUSLSA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](CCc2ccccc2)CC(=O)[O-])C1 ZINC000833436067 605235217 /nfs/dbraw/zinc/23/52/17/605235217.db2.gz CFWYHIPEWJMQEX-GOSISDBHSA-N 0 1 376.497 3.263 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833548596 605247010 /nfs/dbraw/zinc/24/70/10/605247010.db2.gz QCNYNDCOEHJYMP-HNNXBMFYSA-N 0 1 390.430 3.114 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833548596 605247011 /nfs/dbraw/zinc/24/70/11/605247011.db2.gz QCNYNDCOEHJYMP-HNNXBMFYSA-N 0 1 390.430 3.114 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1CCC(=O)[O-] ZINC000833619635 605250467 /nfs/dbraw/zinc/25/04/67/605250467.db2.gz DBXKFGUHJMDYPI-ZDUSSCGKSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1CCC(=O)[O-] ZINC000833619635 605250468 /nfs/dbraw/zinc/25/04/68/605250468.db2.gz DBXKFGUHJMDYPI-ZDUSSCGKSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC000833514650 605250565 /nfs/dbraw/zinc/25/05/65/605250565.db2.gz XQDZGWLCYGDWRT-KGLIPLIRSA-N 0 1 386.414 3.206 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c(C)n1C1CCCCC1 ZINC000833742830 605253346 /nfs/dbraw/zinc/25/33/46/605253346.db2.gz XLHBSCRDTSXBRD-MRXNPFEDSA-N 0 1 375.513 3.231 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC000833618253 605253951 /nfs/dbraw/zinc/25/39/51/605253951.db2.gz MRFARUYHBJEKFK-BYCMXARLSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)CC[N@H+]1CCC(=O)[O-] ZINC000833619837 605253956 /nfs/dbraw/zinc/25/39/56/605253956.db2.gz VPNZAZKCVAAMPP-GOSISDBHSA-N 0 1 380.488 3.216 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833619127 605256143 /nfs/dbraw/zinc/25/61/43/605256143.db2.gz SLQWSSFPSAQOTN-MRVWCRGKSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620351 605257098 /nfs/dbraw/zinc/25/70/98/605257098.db2.gz GXGMKZAGQYAJRV-ZDUSSCGKSA-N 0 1 376.840 3.221 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[N@H+]1CCC(=O)[O-] ZINC000833620351 605257103 /nfs/dbraw/zinc/25/71/03/605257103.db2.gz GXGMKZAGQYAJRV-ZDUSSCGKSA-N 0 1 376.840 3.221 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463661 605263818 /nfs/dbraw/zinc/26/38/18/605263818.db2.gz PCTXAXSGWSEKCM-BBRMVZONSA-N 0 1 386.414 3.315 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463665 605264123 /nfs/dbraw/zinc/26/41/23/605264123.db2.gz PCTXAXSGWSEKCM-XJKSGUPXSA-N 0 1 386.414 3.315 20 0 GGADMN Cc1nc(C)n([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755538 605265545 /nfs/dbraw/zinc/26/55/45/605265545.db2.gz QPQGFOSNEGLQHC-BBRMVZONSA-N 0 1 382.386 3.377 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833438949 605266282 /nfs/dbraw/zinc/26/62/82/605266282.db2.gz MTGDYTTUYTXORQ-FZMZJTMJSA-N 0 1 388.386 3.430 20 0 GGADMN C[N@@H+](CC(C)(C)CN1CCOCC1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833692320 605268229 /nfs/dbraw/zinc/26/82/29/605268229.db2.gz NIZNUCINWHTDGM-INIZCTEOSA-N 0 1 388.430 3.121 20 0 GGADMN CN(C(=O)C[NH2+][C@H](CN1CCCCC1)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833686551 605269662 /nfs/dbraw/zinc/26/96/62/605269662.db2.gz ZDPQRCVJPSPBLX-HXUWFJFHSA-N 0 1 395.503 3.164 20 0 GGADMN C/C(=C/C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000833384556 605275479 /nfs/dbraw/zinc/27/54/79/605275479.db2.gz YGGMNMWOWZDHHR-YBEMTRGBSA-N 0 1 384.398 3.116 20 0 GGADMN C/C(=C\C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000833383939 605275823 /nfs/dbraw/zinc/27/58/23/605275823.db2.gz VZIFBOVTIUCABP-UELRPHRMSA-N 0 1 384.398 3.116 20 0 GGADMN C/C(=C/C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000833383942 605276020 /nfs/dbraw/zinc/27/60/20/605276020.db2.gz VZIFBOVTIUCABP-ZVHGMHCTSA-N 0 1 384.398 3.116 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833617889 605276740 /nfs/dbraw/zinc/27/67/40/605276740.db2.gz ILSRAQZMHYKBOL-HFBAOOFYSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833617891 605276828 /nfs/dbraw/zinc/27/68/28/605276828.db2.gz ILSRAQZMHYKBOL-LYRGGWFBSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000833623306 605283166 /nfs/dbraw/zinc/28/31/66/605283166.db2.gz JWNFZHCLWRALIV-GUTXKFCHSA-N 0 1 394.447 3.021 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000833623306 605283167 /nfs/dbraw/zinc/28/31/67/605283167.db2.gz JWNFZHCLWRALIV-GUTXKFCHSA-N 0 1 394.447 3.021 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833442538 605296025 /nfs/dbraw/zinc/29/60/25/605296025.db2.gz PXWHXJDSSRCDLI-MRXNPFEDSA-N 0 1 378.469 3.029 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000653287467 605312077 /nfs/dbraw/zinc/31/20/77/605312077.db2.gz WEVBIRGYNCXULK-AEFFLSMTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000653287467 605312081 /nfs/dbraw/zinc/31/20/81/605312081.db2.gz WEVBIRGYNCXULK-AEFFLSMTSA-N 0 1 389.402 3.012 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1c(F)cccc1Cl ZINC000833766237 605356599 /nfs/dbraw/zinc/35/65/99/605356599.db2.gz PEMBIYFPTSEUNH-KRWDZBQOSA-N 0 1 376.815 3.287 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC000833728688 605358012 /nfs/dbraw/zinc/35/80/12/605358012.db2.gz JLXGCFBGLHYUFH-HNNXBMFYSA-N 0 1 393.480 3.460 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583606 605369003 /nfs/dbraw/zinc/36/90/03/605369003.db2.gz JEGMVPHUZGGJJC-MNOVXSKESA-N 0 1 376.400 3.489 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833603795 605373235 /nfs/dbraw/zinc/37/32/35/605373235.db2.gz QDEFEGAGNNYXJW-KHYOSLBOSA-N 0 1 397.922 3.095 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833420179 605375159 /nfs/dbraw/zinc/37/51/59/605375159.db2.gz CFOBDHVZDQGWES-LRDDRELGSA-N 0 1 384.879 3.479 20 0 GGADMN FC(F)(F)c1ccc(N2CCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826368289 607751625 /nfs/dbraw/zinc/75/16/25/607751625.db2.gz KFUHUDBUVNDLMA-UHFFFAOYSA-N 0 1 388.397 3.208 20 0 GGADMN CC(C)N1CC[NH+](C2CCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)CC1 ZINC000833500070 605383943 /nfs/dbraw/zinc/38/39/43/605383943.db2.gz UDJASSGCJLTPRQ-LJQANCHMSA-N 0 1 397.922 3.095 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000652499609 605387628 /nfs/dbraw/zinc/38/76/28/605387628.db2.gz DTUOQLREWIMQRX-ZIAGYGMSSA-N 0 1 389.414 3.268 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000652499606 605387759 /nfs/dbraw/zinc/38/77/59/605387759.db2.gz DTUOQLREWIMQRX-KBPBESRZSA-N 0 1 389.414 3.268 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000833405346 605392640 /nfs/dbraw/zinc/39/26/40/605392640.db2.gz ZLTJZIZUYSRWBW-JKSUJKDBSA-N 0 1 376.472 3.107 20 0 GGADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000833691319 605393735 /nfs/dbraw/zinc/39/37/35/605393735.db2.gz AKOGBPLBQLNQFR-HZMBPMFUSA-N 0 1 389.279 3.113 20 0 GGADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000833691322 605394146 /nfs/dbraw/zinc/39/41/46/605394146.db2.gz AKOGBPLBQLNQFR-YGRLFVJLSA-N 0 1 389.279 3.113 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263368918 605419345 /nfs/dbraw/zinc/41/93/45/605419345.db2.gz XGOGFLLACXXDNC-JXFKEZNVSA-N 0 1 381.476 3.095 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405310 605424754 /nfs/dbraw/zinc/42/47/54/605424754.db2.gz YYYZRCCHKJHYRY-CZUORRHYSA-N 0 1 398.425 3.206 20 0 GGADMN CC(=O)NC1CCC([N@@H+](C)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000833396282 605433204 /nfs/dbraw/zinc/43/32/04/605433204.db2.gz QFFDLAOPDCRSJA-UHFFFAOYSA-N 0 1 387.505 3.387 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000635515812 605434564 /nfs/dbraw/zinc/43/45/64/605434564.db2.gz WUDROIPRUOPTGL-SJLPKXTDSA-N 0 1 383.439 3.043 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000635515812 605434565 /nfs/dbraw/zinc/43/45/65/605434565.db2.gz WUDROIPRUOPTGL-SJLPKXTDSA-N 0 1 383.439 3.043 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000414652977 605456189 /nfs/dbraw/zinc/45/61/89/605456189.db2.gz YYBLUZZODQLGCX-PKOBYXMFSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000414652977 605456193 /nfs/dbraw/zinc/45/61/93/605456193.db2.gz YYBLUZZODQLGCX-PKOBYXMFSA-N 0 1 397.466 3.433 20 0 GGADMN C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000666540264 605456347 /nfs/dbraw/zinc/45/63/47/605456347.db2.gz KFSGPSWSLAFADH-OXJNMPFZSA-N 0 1 381.476 3.095 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628483 605472604 /nfs/dbraw/zinc/47/26/04/605472604.db2.gz IUSFPVQKGMHIAU-CQSZACIVSA-N 0 1 393.940 3.461 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628483 605472610 /nfs/dbraw/zinc/47/26/10/605472610.db2.gz IUSFPVQKGMHIAU-CQSZACIVSA-N 0 1 393.940 3.461 20 0 GGADMN C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628483 605472614 /nfs/dbraw/zinc/47/26/14/605472614.db2.gz IUSFPVQKGMHIAU-CQSZACIVSA-N 0 1 393.940 3.461 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000833669160 605478475 /nfs/dbraw/zinc/47/84/75/605478475.db2.gz YUWRVJJOPIUWDH-RDJZCZTQSA-N 0 1 383.492 3.224 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000833480653 605484209 /nfs/dbraw/zinc/48/42/09/605484209.db2.gz RLXQULLBVKMDEW-FGTMMUONSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000833480653 605484215 /nfs/dbraw/zinc/48/42/15/605484215.db2.gz RLXQULLBVKMDEW-FGTMMUONSA-N 0 1 397.466 3.287 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000833419581 605549426 /nfs/dbraw/zinc/54/94/26/605549426.db2.gz HAKAFBPSRROQTD-IBGZPJMESA-N 0 1 397.519 3.394 20 0 GGADMN O=C(Nc1nc(-c2cccc(-c3nn[nH]n3)c2)cs1)c1cccc2c[nH]nc21 ZINC000826459698 607770695 /nfs/dbraw/zinc/77/06/95/607770695.db2.gz VJMSLBABJGOPPY-UHFFFAOYSA-N 0 1 388.416 3.119 20 0 GGADMN O=C([O-])Nc1ccccc1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000740045240 605676950 /nfs/dbraw/zinc/67/69/50/605676950.db2.gz GCOHDIJTJUAGDU-UHFFFAOYSA-N 0 1 390.443 3.283 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000833705962 605682900 /nfs/dbraw/zinc/68/29/00/605682900.db2.gz FEYYPLBBZRKYGV-FOJUNHNLSA-N 0 1 396.281 3.191 20 0 GGADMN O=C([O-])Nc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000740044773 605685539 /nfs/dbraw/zinc/68/55/39/605685539.db2.gz BBUOWIDHDZVMLK-UHFFFAOYSA-N 0 1 389.402 3.449 20 0 GGADMN CC(C)c1ccc(C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C2CC2)cc1 ZINC000833510121 605765994 /nfs/dbraw/zinc/76/59/94/605765994.db2.gz LSLHRANTJHJXGI-UHFFFAOYSA-N 0 1 387.505 3.497 20 0 GGADMN CC(C)c1ccc(C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C2CC2)cc1 ZINC000833510121 605765995 /nfs/dbraw/zinc/76/59/95/605765995.db2.gz LSLHRANTJHJXGI-UHFFFAOYSA-N 0 1 387.505 3.497 20 0 GGADMN CC(C)N1CC[NH+](C2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)CC1 ZINC000833500259 605843931 /nfs/dbraw/zinc/84/39/31/605843931.db2.gz WDFFFRWWLNHOMM-UHFFFAOYSA-N 0 1 379.932 3.029 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833520245 605863530 /nfs/dbraw/zinc/86/35/30/605863530.db2.gz BZOCCLMUQFJVLZ-VXGBXAGGSA-N 0 1 381.423 3.438 20 0 GGADMN CCN(CCc1cccs1)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821214857 606110267 /nfs/dbraw/zinc/11/02/67/606110267.db2.gz NCDXKILRHAWWIY-UHFFFAOYSA-N 0 1 390.538 3.110 20 0 GGADMN Cc1sc(NC(=O)CN[C@H](c2ncccc2C)C(C)C)c(-c2nn[nH]n2)c1C ZINC000822369906 606111559 /nfs/dbraw/zinc/11/15/59/606111559.db2.gz OTPHAYPDOZELBR-INIZCTEOSA-N 0 1 399.524 3.174 20 0 GGADMN CC[C@H]1CN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC[C@@H]1c1ccccc1 ZINC000820995765 606111526 /nfs/dbraw/zinc/11/15/26/606111526.db2.gz XIDPZDPUPNBEBE-HOCLYGCPSA-N 0 1 396.520 3.382 20 0 GGADMN C[NH+](C)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821581521 606138684 /nfs/dbraw/zinc/13/86/84/606138684.db2.gz NRZAKFKPRWSZDA-JTQLQIEISA-N 0 1 384.296 3.345 20 0 GGADMN C[NH+](C)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581521 606138685 /nfs/dbraw/zinc/13/86/85/606138685.db2.gz NRZAKFKPRWSZDA-JTQLQIEISA-N 0 1 384.296 3.345 20 0 GGADMN C[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820667801 606199285 /nfs/dbraw/zinc/19/92/85/606199285.db2.gz OABPEOFTERHJJQ-DZGCQCFKSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820667801 606199287 /nfs/dbraw/zinc/19/92/87/606199287.db2.gz OABPEOFTERHJJQ-DZGCQCFKSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820667801 606199290 /nfs/dbraw/zinc/19/92/90/606199290.db2.gz OABPEOFTERHJJQ-DZGCQCFKSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@H]1C[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820667801 606199292 /nfs/dbraw/zinc/19/92/92/606199292.db2.gz OABPEOFTERHJJQ-DZGCQCFKSA-N 0 1 383.887 3.380 20 0 GGADMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823355931 606298506 /nfs/dbraw/zinc/29/85/06/606298506.db2.gz GGUJHACUXZRUTQ-UHFFFAOYSA-N 0 1 388.435 3.438 20 0 GGADMN Clc1ccc(CN2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822574670 606406186 /nfs/dbraw/zinc/40/61/86/606406186.db2.gz XJJZGJMGYFDWJE-UHFFFAOYSA-N 0 1 388.928 3.336 20 0 GGADMN Clc1ccc(CN2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822574670 606406187 /nfs/dbraw/zinc/40/61/87/606406187.db2.gz XJJZGJMGYFDWJE-UHFFFAOYSA-N 0 1 388.928 3.336 20 0 GGADMN FC(F)(F)COCc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822718481 606408452 /nfs/dbraw/zinc/40/84/52/606408452.db2.gz JPJUUCGTUDFGQE-UHFFFAOYSA-N 0 1 383.399 3.297 20 0 GGADMN FC(F)(F)COCc1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822718481 606408453 /nfs/dbraw/zinc/40/84/53/606408453.db2.gz JPJUUCGTUDFGQE-UHFFFAOYSA-N 0 1 383.399 3.297 20 0 GGADMN CCCCc1nc2ccc(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)cc2[nH]1 ZINC000821077574 606537515 /nfs/dbraw/zinc/53/75/15/606537515.db2.gz MBPZONPZJHIATM-UHFFFAOYSA-N 0 1 375.436 3.267 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)[NH2+][C@@H](C)c1ccccc1 ZINC000820057151 606595648 /nfs/dbraw/zinc/59/56/48/606595648.db2.gz XIYPAPOEKBJJOO-GOEBONIOSA-N 0 1 398.536 3.424 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)[NH2+][C@@H](C)c1ccccc1 ZINC000820057151 606595649 /nfs/dbraw/zinc/59/56/49/606595649.db2.gz XIYPAPOEKBJJOO-GOEBONIOSA-N 0 1 398.536 3.424 20 0 GGADMN CCOC(=O)c1sc(NC(=O)/C=C2/CC[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000821346537 606620629 /nfs/dbraw/zinc/62/06/29/606620629.db2.gz LGIRYRYZTOGLMU-LZUGORFDSA-N 0 1 375.454 3.098 20 0 GGADMN Fc1ccc([C@@H]2CCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cc1 ZINC000822767287 606717038 /nfs/dbraw/zinc/71/70/38/606717038.db2.gz ZYKDZKDIJYRXSM-MRXNPFEDSA-N 0 1 391.410 3.045 20 0 GGADMN C[C@@]1(c2ccccc2)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000820636020 606717834 /nfs/dbraw/zinc/71/78/34/606717834.db2.gz ORXSPVBORKOBAH-HXUWFJFHSA-N 0 1 396.882 3.122 20 0 GGADMN O[C@H](CN(Cc1ccco1)Cc1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823674035 606844795 /nfs/dbraw/zinc/84/47/95/606844795.db2.gz PBODJZKMMVOWTB-GOSISDBHSA-N 0 1 381.461 3.257 20 0 GGADMN C[C@@H](c1nc2ccccc2s1)N(C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820571053 606850018 /nfs/dbraw/zinc/85/00/18/606850018.db2.gz VAGNDTBIJAZECO-LRDDRELGSA-N 0 1 380.477 3.203 20 0 GGADMN Cc1ccc(CNCc2cc(-c3nn[nH]n3)cs2)c(OC[C@H]2CCCO2)c1 ZINC000822238478 606868539 /nfs/dbraw/zinc/86/85/39/606868539.db2.gz JHRSWLWTCJDEFQ-MRXNPFEDSA-N 0 1 385.493 3.084 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000821042768 606869208 /nfs/dbraw/zinc/86/92/08/606869208.db2.gz HSEFTHPBORYRAY-LBPRGKRZSA-N 0 1 380.518 3.101 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000821042768 606869210 /nfs/dbraw/zinc/86/92/10/606869210.db2.gz HSEFTHPBORYRAY-LBPRGKRZSA-N 0 1 380.518 3.101 20 0 GGADMN CCC[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000821040673 606881661 /nfs/dbraw/zinc/88/16/61/606881661.db2.gz OZUVVJBEPSSCDB-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN Fc1ccc(CNCc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)nc1 ZINC000822772426 606923559 /nfs/dbraw/zinc/92/35/59/606923559.db2.gz YKRJBJHFHZFYPY-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN CN(Cc1ccc(Br)s1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821611015 606959923 /nfs/dbraw/zinc/95/99/23/606959923.db2.gz NQZQSAVISWRHLE-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1C)N(C)C ZINC000820842527 607021236 /nfs/dbraw/zinc/02/12/36/607021236.db2.gz NOSFOAPHVRTKCJ-LJQANCHMSA-N 0 1 394.479 3.033 20 0 GGADMN Cc1cc(Br)ccc1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC000822162286 607052920 /nfs/dbraw/zinc/05/29/20/607052920.db2.gz ZSUSKMGJHRFIJC-UHFFFAOYSA-N 0 1 376.233 3.367 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC000821842193 607056374 /nfs/dbraw/zinc/05/63/74/607056374.db2.gz PXNRCYGIIBEPJA-SFHVURJKSA-N 0 1 383.427 3.360 20 0 GGADMN CC(C)(C)OC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000819946451 607088503 /nfs/dbraw/zinc/08/85/03/607088503.db2.gz KQLPBHDEOGUPSQ-UHFFFAOYSA-N 0 1 381.427 3.248 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CNc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000823762390 607152055 /nfs/dbraw/zinc/15/20/55/607152055.db2.gz NTDNLSGQTNVXNH-UHFFFAOYSA-N 0 1 384.509 3.405 20 0 GGADMN CC(C)Sc1ccccc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820183428 607155184 /nfs/dbraw/zinc/15/51/84/607155184.db2.gz BJVBXXQSSWESOY-UHFFFAOYSA-N 0 1 375.479 3.168 20 0 GGADMN Cc1ccc2nc(CNC(=O)Nc3ccc(-c4nn[nH]n4)cc3Cl)[nH]c2c1 ZINC000822270854 607201016 /nfs/dbraw/zinc/20/10/16/607201016.db2.gz AKYSUSGEYMCNPW-UHFFFAOYSA-N 0 1 382.815 3.027 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825413232 607838280 /nfs/dbraw/zinc/83/82/80/607838280.db2.gz YSXFTFUASCWZIP-UHFFFAOYSA-N 0 1 391.829 3.016 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825413232 607838281 /nfs/dbraw/zinc/83/82/81/607838281.db2.gz YSXFTFUASCWZIP-UHFFFAOYSA-N 0 1 391.829 3.016 20 0 GGADMN CC[C@H]1c2ccsc2CCN1Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825218534 607921306 /nfs/dbraw/zinc/92/13/06/607921306.db2.gz DGLHAHSNFWJBLQ-HNNXBMFYSA-N 0 1 383.477 3.224 20 0 GGADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000824757651 607999852 /nfs/dbraw/zinc/99/98/52/607999852.db2.gz ZLIVXINOUSXRHR-SECBINFHSA-N 0 1 399.361 3.087 20 0 GGADMN CN(C)c1cccc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)c1 ZINC000825981890 608032975 /nfs/dbraw/zinc/03/29/75/608032975.db2.gz ZLBXRWAVDMZLJQ-UHFFFAOYSA-N 0 1 388.422 3.166 20 0 GGADMN C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824763618 608035101 /nfs/dbraw/zinc/03/51/01/608035101.db2.gz OBHADJFXICJRLR-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824763618 608035102 /nfs/dbraw/zinc/03/51/02/608035102.db2.gz OBHADJFXICJRLR-VIFPVBQESA-N 0 1 395.298 3.104 20 0 GGADMN Cc1ccc([C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)C2)cc1 ZINC000826286341 608126859 /nfs/dbraw/zinc/12/68/59/608126859.db2.gz YZRNGZXOAQMQSB-HNNXBMFYSA-N 0 1 396.882 3.257 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1cccc(Br)c1 ZINC000826184163 608433776 /nfs/dbraw/zinc/43/37/76/608433776.db2.gz MYBAFKWPZXFYMJ-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000824607505 608457861 /nfs/dbraw/zinc/45/78/61/608457861.db2.gz ZIPOFVYZHQGMFJ-GFCCVEGCSA-N 0 1 380.427 3.205 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825140558 608457940 /nfs/dbraw/zinc/45/79/40/608457940.db2.gz KORYVXXRHPQULY-SWLSCSKDSA-N 0 1 398.467 3.153 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824266572 608460544 /nfs/dbraw/zinc/46/05/44/608460544.db2.gz NGDPVEYPOQJBCV-HNNXBMFYSA-N 0 1 378.480 3.103 20 0 GGADMN CC(C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000824553971 608466118 /nfs/dbraw/zinc/46/61/18/608466118.db2.gz LBQPIDMUOHHIQK-VBKZILBWSA-N 0 1 396.470 3.170 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824562024 608489372 /nfs/dbraw/zinc/48/93/72/608489372.db2.gz BEYAAXHDTBGKPJ-JTQLQIEISA-N 0 1 391.262 3.463 20 0 GGADMN CN(Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1OCc1ccccn1 ZINC000825977093 608521597 /nfs/dbraw/zinc/52/15/97/608521597.db2.gz WLVGQTMCBWFDCK-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN c1cc(CN[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c2c(c1)OCCCO2 ZINC000826515638 608525552 /nfs/dbraw/zinc/52/55/52/608525552.db2.gz FXIIYRBUAMWZQT-GOSISDBHSA-N 0 1 377.448 3.195 20 0 GGADMN Cc1cc2oc(=O)cc(CNC3(c4cccc(-c5nn[nH]n5)c4)CC3)c2cc1C ZINC000826273229 608532546 /nfs/dbraw/zinc/53/25/46/608532546.db2.gz UYPJSSBUTBNHOW-UHFFFAOYSA-N 0 1 387.443 3.369 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)c(-c2nn[n-]n2)c1C ZINC000826296124 608533753 /nfs/dbraw/zinc/53/37/53/608533753.db2.gz KEAIOALPOVWEBZ-KBPBESRZSA-N 0 1 382.468 3.371 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1C(F)(F)F ZINC000824563159 608537607 /nfs/dbraw/zinc/53/76/07/608537607.db2.gz MQMFEANWISMDNH-LLVKDONJSA-N 0 1 390.369 3.175 20 0 GGADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(OC)ccc1OCOC ZINC000825319007 608547702 /nfs/dbraw/zinc/54/77/02/608547702.db2.gz VPBGNTFJXRRAIC-UHFFFAOYSA-N 0 1 397.479 3.270 20 0 GGADMN CCN(Cc1cnc2nc(C)cc(C)n12)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825443573 608550588 /nfs/dbraw/zinc/55/05/88/608550588.db2.gz DTONAPDAPKYIKZ-HNNXBMFYSA-N 0 1 376.468 3.109 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000826169667 608555142 /nfs/dbraw/zinc/55/51/42/608555142.db2.gz AFOLNOLLEYTLJY-HNNXBMFYSA-N 0 1 378.480 3.326 20 0 GGADMN CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825059489 608577683 /nfs/dbraw/zinc/57/76/83/608577683.db2.gz FVYHMFXDAUEHIB-VXGBXAGGSA-N 0 1 376.530 3.160 20 0 GGADMN COc1ccc([C@H](C)CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826187844 608590308 /nfs/dbraw/zinc/59/03/08/608590308.db2.gz GOBZYDALABFLIP-QRWLVFNGSA-N 0 1 379.464 3.052 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000826523251 608624322 /nfs/dbraw/zinc/62/43/22/608624322.db2.gz GRUWEHGMZJINPY-UHFFFAOYSA-N 0 1 380.521 3.203 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000826523251 608624323 /nfs/dbraw/zinc/62/43/23/608624323.db2.gz GRUWEHGMZJINPY-UHFFFAOYSA-N 0 1 380.521 3.203 20 0 GGADMN C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000825012768 608647449 /nfs/dbraw/zinc/64/74/49/608647449.db2.gz LKVVUVHJVTWSJL-AWEZNQCLSA-N 0 1 380.521 3.344 20 0 GGADMN C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825012768 608647450 /nfs/dbraw/zinc/64/74/50/608647450.db2.gz LKVVUVHJVTWSJL-AWEZNQCLSA-N 0 1 380.521 3.344 20 0 GGADMN O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826483176 608676534 /nfs/dbraw/zinc/67/65/34/608676534.db2.gz DKRQLVGFJUKIBF-QGZVFWFLSA-N 0 1 398.854 3.061 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825412279 608739082 /nfs/dbraw/zinc/73/90/82/608739082.db2.gz NDRCLYRWPCPMSN-UHFFFAOYSA-N 0 1 376.452 3.024 20 0 GGADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000824763814 608797550 /nfs/dbraw/zinc/79/75/50/608797550.db2.gz PJAOIVAQKMAZTE-CVEARBPZSA-N 0 1 380.471 3.446 20 0 GGADMN CC(C)[C@H](CC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(=O)OC(C)(C)C ZINC000824192725 608830001 /nfs/dbraw/zinc/83/00/01/608830001.db2.gz LPIYDHMBEDIQCP-AWEZNQCLSA-N 0 1 394.545 3.299 20 0 GGADMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(=O)OC(C)(C)C ZINC000824192725 608830005 /nfs/dbraw/zinc/83/00/05/608830005.db2.gz LPIYDHMBEDIQCP-AWEZNQCLSA-N 0 1 394.545 3.299 20 0 GGADMN CC(C)[C@H](CC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000824192725 608830008 /nfs/dbraw/zinc/83/00/08/608830008.db2.gz LPIYDHMBEDIQCP-AWEZNQCLSA-N 0 1 394.545 3.299 20 0 GGADMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC000824192725 608830012 /nfs/dbraw/zinc/83/00/12/608830012.db2.gz LPIYDHMBEDIQCP-AWEZNQCLSA-N 0 1 394.545 3.299 20 0 GGADMN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000826506385 608852160 /nfs/dbraw/zinc/85/21/60/608852160.db2.gz TZWYHQSRAIVEJU-UKRRQHHQSA-N 0 1 395.410 3.255 20 0 GGADMN CN(CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000825923490 609283199 /nfs/dbraw/zinc/28/31/99/609283199.db2.gz JVLKWWLJKIKGLS-UHFFFAOYSA-N 0 1 377.370 3.185 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1-c1nn[nH]n1 ZINC000826229799 609297415 /nfs/dbraw/zinc/29/74/15/609297415.db2.gz RQLIGLDXKKIDKJ-UHFFFAOYSA-N 0 1 397.247 3.248 20 0 GGADMN COc1cccc([C@H]2[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)CC[N@@H+]2C2CC2)c1 ZINC000826214971 609322795 /nfs/dbraw/zinc/32/27/95/609322795.db2.gz CBVWMQUXDXXPQH-ICSRJNTNSA-N 0 1 394.454 3.404 20 0 GGADMN COc1cccc([C@H]2[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)CC[N@H+]2C2CC2)c1 ZINC000826214971 609322797 /nfs/dbraw/zinc/32/27/97/609322797.db2.gz CBVWMQUXDXXPQH-ICSRJNTNSA-N 0 1 394.454 3.404 20 0 GGADMN 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COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)N(C)C)c1 ZINC000053540016 1406433732 /nfs/dbraw/zinc/43/37/32/1406433732.db2.gz YDCLUVAGZMBICB-OAQYLSRUSA-N 0 1 384.524 3.206 20 0 GGADMN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000053569754 1406446995 /nfs/dbraw/zinc/44/69/95/1406446995.db2.gz PNANCNWKXIYEKH-GOSISDBHSA-N 0 1 388.552 3.322 20 0 GGADMN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000053569752 1406445998 /nfs/dbraw/zinc/44/59/98/1406445998.db2.gz QLTPQJZLKWJENX-LJQANCHMSA-N 0 1 388.552 3.457 20 0 GGADMN Cc1ccc(-c2noc(CN3CCN(CCCOCC(F)(F)F)CC3)n2)cc1 ZINC000053606221 1406459085 /nfs/dbraw/zinc/45/90/85/1406459085.db2.gz GTZNHHMIYTXMGK-UHFFFAOYSA-N 0 1 398.429 3.132 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000053664227 1406472109 /nfs/dbraw/zinc/47/21/09/1406472109.db2.gz XKBOSVWOQYFGKS-UHFFFAOYSA-N 0 1 396.472 3.436 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)[nH]1 ZINC000053673648 1406475815 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CCCCOc1ccc([C@H](C)NC(=O)CSc2nnc(C)[nH]2)cc1OC ZINC000053673730 1406475699 /nfs/dbraw/zinc/47/56/99/1406475699.db2.gz HKJZITCHBSIUBZ-LBPRGKRZSA-N 0 1 378.498 3.270 20 0 GGADMN CCCCOc1ccc([C@H](C)NC(=O)CSc2nc(C)n[nH]2)cc1OC ZINC000053673730 1406475707 /nfs/dbraw/zinc/47/57/07/1406475707.db2.gz HKJZITCHBSIUBZ-LBPRGKRZSA-N 0 1 378.498 3.270 20 0 GGADMN Cc1nnc(SCC(=O)NCCc2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000053673594 1406475952 /nfs/dbraw/zinc/47/59/52/1406475952.db2.gz MCCPIEZCGAECBB-UHFFFAOYSA-N 0 1 382.489 3.143 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCCc2ccc(OCc3ccccc3)cc2)n1 ZINC000053673594 1406475955 /nfs/dbraw/zinc/47/59/55/1406475955.db2.gz MCCPIEZCGAECBB-UHFFFAOYSA-N 0 1 382.489 3.143 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1 ZINC000053673812 1406475996 /nfs/dbraw/zinc/47/59/96/1406475996.db2.gz NKTCLYWPBUXYFR-CYBMUJFWSA-N 0 1 395.488 3.335 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000053673812 1406476002 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CC(C)OCc1cccc(CNC(=O)CSc2nc(C(C)(C)C)n[nH]2)c1 ZINC000053716083 1406486643 /nfs/dbraw/zinc/48/66/43/1406486643.db2.gz OBJRCYZIQITYKH-UHFFFAOYSA-N 0 1 376.526 3.436 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1OC ZINC000053716057 1406486719 /nfs/dbraw/zinc/48/67/19/1406486719.db2.gz GWCZKFIAMDNQED-GFCCVEGCSA-N 0 1 392.525 3.397 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1OC ZINC000053715689 1406486926 /nfs/dbraw/zinc/48/69/26/1406486926.db2.gz JPXBTJHYWPOFAW-GFCCVEGCSA-N 0 1 392.525 3.479 20 0 GGADMN Cc1cc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)n(-c2ccccc2F)n1 ZINC000053716306 1406487050 /nfs/dbraw/zinc/48/70/50/1406487050.db2.gz ZJFNISWZRVSFIL-UHFFFAOYSA-N 0 1 388.472 3.466 20 0 GGADMN CC(C)OCc1ccc(CNC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000053716078 1406487082 /nfs/dbraw/zinc/48/70/82/1406487082.db2.gz ATMNVLJWBAJMGH-UHFFFAOYSA-N 0 1 376.526 3.436 20 0 GGADMN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1OCC ZINC000053744148 1406499431 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O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000053759376 1406504758 /nfs/dbraw/zinc/50/47/58/1406504758.db2.gz NQUJNVVBFMWNLH-HXUWFJFHSA-N 0 1 398.890 3.202 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000053762669 1406505278 /nfs/dbraw/zinc/50/52/78/1406505278.db2.gz URGYXYSPRCYZBK-SFHVURJKSA-N 0 1 381.520 3.242 20 0 GGADMN COc1ccc(N2CCCN([C@H](C)C(=O)NCc3ccccc3F)CC2)cc1 ZINC000053774382 1406508348 /nfs/dbraw/zinc/50/83/48/1406508348.db2.gz ALCXXZAVYZJZTL-QGZVFWFLSA-N 0 1 385.483 3.051 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)cc2)CC1 ZINC000053791639 1406511631 /nfs/dbraw/zinc/51/16/31/1406511631.db2.gz XPJUAMRKQJTGKM-UHFFFAOYSA-N 0 1 381.505 3.138 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053792071 1406512039 /nfs/dbraw/zinc/51/20/39/1406512039.db2.gz XBLOTJOCOQJFAI-SFHVURJKSA-N 0 1 376.412 3.277 20 0 GGADMN CC[C@H](CNC(=O)c1cc(NC(C)=O)ccc1F)N1CCc2ccccc2C1 ZINC000053800374 1406517322 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GGADMN Cc1oc(-c2ccccc2)nc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000053990120 1406578009 /nfs/dbraw/zinc/57/80/09/1406578009.db2.gz BQJCQOPXCACBFR-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN COc1ccc(CCC(=O)NC2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000053990864 1406578675 /nfs/dbraw/zinc/57/86/75/1406578675.db2.gz HUZBINAWHJLCBZ-UHFFFAOYSA-N 0 1 387.911 3.457 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000053990591 1406578987 /nfs/dbraw/zinc/57/89/87/1406578987.db2.gz QTRPXGZTKKPPQB-UHFFFAOYSA-N 0 1 393.516 3.324 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(-c2ccccc2F)on1 ZINC000053991164 1406579032 /nfs/dbraw/zinc/57/90/32/1406579032.db2.gz WCSJMSAWEVVQSR-UHFFFAOYSA-N 0 1 380.423 3.270 20 0 GGADMN O=C(COc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000053990255 1406579045 /nfs/dbraw/zinc/57/90/45/1406579045.db2.gz SFYNVFGYGCDTJF-UHFFFAOYSA-N 0 1 393.409 3.260 20 0 GGADMN O=C(COc1ccccc1C(F)(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000053991142 1406579080 /nfs/dbraw/zinc/57/90/80/1406579080.db2.gz TUOUMWDJBNISBK-UHFFFAOYSA-N 0 1 393.409 3.260 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)c2ccc(F)cc2n1 ZINC000053991116 1406579123 /nfs/dbraw/zinc/57/91/23/1406579123.db2.gz OKBWMZUMEWCTLH-UHFFFAOYSA-N 0 1 378.451 3.472 20 0 GGADMN O=C(COc1ccc(F)cc1Cl)NC1CCN(Cc2ccccn2)CC1 ZINC000053990432 1406579134 /nfs/dbraw/zinc/57/91/34/1406579134.db2.gz IQMOLTKXLZVHRK-UHFFFAOYSA-N 0 1 377.847 3.034 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000053990295 1406579144 /nfs/dbraw/zinc/57/91/44/1406579144.db2.gz RQZXHCOXALRIQI-UHFFFAOYSA-N 0 1 379.382 3.375 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000053990741 1406579206 /nfs/dbraw/zinc/57/92/06/1406579206.db2.gz BWKKYGKKQBFQOF-UHFFFAOYSA-N 0 1 378.451 3.472 20 0 GGADMN O=C(CCCc1nc2ccccc2[nH]1)NC1CCN(Cc2ccccn2)CC1 ZINC000053991171 1406579304 /nfs/dbraw/zinc/57/93/04/1406579304.db2.gz PAIFAHFCYSXWHE-UHFFFAOYSA-N 0 1 377.492 3.061 20 0 GGADMN NC(=O)C1CCN(Cc2cccc(NC(=O)CCC(=O)c3cccs3)c2)CC1 ZINC000053996466 1406583265 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/nfs/dbraw/zinc/65/40/26/1406654026.db2.gz LHKPQRLILCTOGH-KRWDZBQOSA-N 0 1 392.931 3.177 20 0 GGADMN CN(C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)C1CCCCC1 ZINC000054215262 1406654059 /nfs/dbraw/zinc/65/40/59/1406654059.db2.gz JVSGRUPFIRFUBA-UHFFFAOYSA-N 0 1 392.931 3.177 20 0 GGADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054216619 1406655345 /nfs/dbraw/zinc/65/53/45/1406655345.db2.gz BDJPPGRCPXHWTH-ZDUSSCGKSA-N 0 1 380.920 3.079 20 0 GGADMN CCN1C[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)CC1=O ZINC000054245508 1406663714 /nfs/dbraw/zinc/66/37/14/1406663714.db2.gz OIJPCRBJVLAXNW-AWEZNQCLSA-N 0 1 380.423 3.100 20 0 GGADMN CC(C)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000054259718 1406668445 /nfs/dbraw/zinc/66/84/45/1406668445.db2.gz IOEJUPIBJMWKRY-IAGOWNOFSA-N 0 1 394.581 3.355 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000054282570 1406677538 /nfs/dbraw/zinc/67/75/38/1406677538.db2.gz OUJVHGMQLYHBBN-OAQYLSRUSA-N 0 1 397.494 3.217 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2C(F)(F)F)c1 ZINC000054293369 1406683762 /nfs/dbraw/zinc/68/37/62/1406683762.db2.gz VBOWLNWTESDJDI-UHFFFAOYSA-N 0 1 389.351 3.301 20 0 GGADMN O=c1ccc2cc(NS(=O)(=O)c3ccccc3Br)ccc2o1 ZINC000054294284 1406683901 /nfs/dbraw/zinc/68/39/01/1406683901.db2.gz GMYCGJOPYYVVTJ-UHFFFAOYSA-N 0 1 380.219 3.356 20 0 GGADMN CCc1ccccc1NC(=S)NCCN1CCN(Cc2ccccc2)CC1 ZINC000054298482 1406685522 /nfs/dbraw/zinc/68/55/22/1406685522.db2.gz ZIMPYUWLXIXEDK-UHFFFAOYSA-N 0 1 382.577 3.353 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000054359893 1406701905 /nfs/dbraw/zinc/70/19/05/1406701905.db2.gz UWRWGFQLNIRDFA-FQEVSTJZSA-N 0 1 398.507 3.243 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)C3=NO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000054365726 1406705358 /nfs/dbraw/zinc/70/53/58/1406705358.db2.gz MQPYDPUNHMYWDU-QFIPXVFZSA-N 0 1 393.487 3.247 20 0 GGADMN Cc1cc(NC(=O)C2CCN([C@H](C)C(=O)NCCC3=CCCCC3)CC2)no1 ZINC000054368618 1406707163 /nfs/dbraw/zinc/70/71/63/1406707163.db2.gz HTGUISPNQGKLFN-MRXNPFEDSA-N 0 1 388.512 3.029 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000054378366 1406708542 /nfs/dbraw/zinc/70/85/42/1406708542.db2.gz ZOHQYIYUAJAXRI-UHFFFAOYSA-N 0 1 382.464 3.162 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC(OC)CC2)N2CCCCC2)cc1 ZINC000054376494 1406709102 /nfs/dbraw/zinc/70/91/02/1406709102.db2.gz GKPINTRSRFFCIE-FQEVSTJZSA-N 0 1 375.513 3.043 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000054382164 1406709685 /nfs/dbraw/zinc/70/96/85/1406709685.db2.gz XNUJHCWIOXHEEC-RBUKOAKNSA-N 0 1 392.931 3.267 20 0 GGADMN Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1N1CCN(C)CC1 ZINC000054386441 1406711628 /nfs/dbraw/zinc/71/16/28/1406711628.db2.gz HVGTTWJUMJKUBM-UHFFFAOYSA-N 0 1 397.479 3.019 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)on1 ZINC000054392991 1406716843 /nfs/dbraw/zinc/71/68/43/1406716843.db2.gz JMILIAANVKKLNE-HNNXBMFYSA-N 0 1 399.470 3.414 20 0 GGADMN O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)N1CCc2ccccc21 ZINC000054424069 1406729644 /nfs/dbraw/zinc/72/96/44/1406729644.db2.gz DWLWCTMHCPPNAW-RMKNXTFCSA-N 0 1 375.516 3.297 20 0 GGADMN COc1cc2c(cc1OC)CN(CCC(=O)NCc1ccccc1Cl)CC2 ZINC000054424521 1406730712 /nfs/dbraw/zinc/73/07/12/1406730712.db2.gz NGUABDWPIWXUES-UHFFFAOYSA-N 0 1 388.895 3.422 20 0 GGADMN CCCN(CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccccc1C ZINC000054425440 1406731060 /nfs/dbraw/zinc/73/10/60/1406731060.db2.gz VITUZFPZMHEEEH-UHFFFAOYSA-N 0 1 397.475 3.403 20 0 GGADMN COc1ccc(N2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000054424293 1406731256 /nfs/dbraw/zinc/73/12/56/1406731256.db2.gz VFXOEOGTZTVUJR-UHFFFAOYSA-N 0 1 398.894 3.371 20 0 GGADMN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN(C2CC2)C2CCCCC2)C1=O ZINC000054463924 1406742523 /nfs/dbraw/zinc/74/25/23/1406742523.db2.gz CGNRIQKNYCCRGJ-FQEVSTJZSA-N 0 1 386.452 3.116 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000054461168 1406742547 /nfs/dbraw/zinc/74/25/47/1406742547.db2.gz DQXIHGFKYLZGTL-UHFFFAOYSA-N 0 1 392.503 3.327 20 0 GGADMN COc1cc(CNCc2c(C)nn(-c3ccccc3)c2C)ccc1OCCO ZINC000054470350 1406744618 /nfs/dbraw/zinc/74/46/18/1406744618.db2.gz IMJHPBRDAVPDFN-UHFFFAOYSA-N 0 1 381.476 3.159 20 0 GGADMN CCCCOc1cccc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000054469976 1406745070 /nfs/dbraw/zinc/74/50/70/1406745070.db2.gz HGNRMCYBUVDWPE-UHFFFAOYSA-N 0 1 397.523 3.334 20 0 GGADMN C[C@H](C1CC1)N(Cc1ccccc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000054472598 1406745685 /nfs/dbraw/zinc/74/56/85/1406745685.db2.gz GEBCDAXOBQORLM-OAHLLOKOSA-N 0 1 397.500 3.297 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cc(N2CCOC2=O)ccc1F)c1cccs1 ZINC000054512421 1406758732 /nfs/dbraw/zinc/75/87/32/1406758732.db2.gz BFKKOMVOXIJYDQ-HNNXBMFYSA-N 0 1 392.456 3.268 20 0 GGADMN O=C(CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000054540185 1406766017 /nfs/dbraw/zinc/76/60/17/1406766017.db2.gz CIHCEFURPUFRMA-INIZCTEOSA-N 0 1 390.871 3.008 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000054542564 1406766038 /nfs/dbraw/zinc/76/60/38/1406766038.db2.gz SWNCCPHEKRILKT-RBUKOAKNSA-N 0 1 377.916 3.267 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(Cc2cccc3ccccc32)CC1)Cn1cccn1 ZINC000054575226 1406772247 /nfs/dbraw/zinc/77/22/47/1406772247.db2.gz WRKBZAQQIACGIV-IBGZPJMESA-N 0 1 391.519 3.200 20 0 GGADMN C[C@H](CNC(=O)N1CCN(Cc2cccc3ccccc32)CC1)Cn1cccn1 ZINC000054575228 1406772462 /nfs/dbraw/zinc/77/24/62/1406772462.db2.gz WRKBZAQQIACGIV-LJQANCHMSA-N 0 1 391.519 3.200 20 0 GGADMN Cc1cccc(OC[C@H](C)NC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000054617201 1406786222 /nfs/dbraw/zinc/78/62/22/1406786222.db2.gz KIJMXZLNMHCJHE-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000054615750 1406786590 /nfs/dbraw/zinc/78/65/90/1406786590.db2.gz QTHHHONWGZQFKO-UHFFFAOYSA-N 0 1 394.450 3.303 20 0 GGADMN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000054619138 1406787499 /nfs/dbraw/zinc/78/74/99/1406787499.db2.gz HEIHBVWKYSBWCZ-UHFFFAOYSA-N 0 1 392.459 3.495 20 0 GGADMN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000054626950 1406791398 /nfs/dbraw/zinc/79/13/98/1406791398.db2.gz QRNDCFCFIRLGGI-UHFFFAOYSA-N 0 1 385.383 3.241 20 0 GGADMN O=C(CNC(=O)Cc1cccc(F)c1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000054627971 1406791416 /nfs/dbraw/zinc/79/14/16/1406791416.db2.gz UKDZDPAZDGCPNK-UHFFFAOYSA-N 0 1 392.390 3.259 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NCCc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000054650200 1406797069 /nfs/dbraw/zinc/79/70/69/1406797069.db2.gz KKPZXKSGUPUANE-GJZGRUSLSA-N 0 1 387.446 3.046 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)N1CCCC1 ZINC000054668169 1406800758 /nfs/dbraw/zinc/80/07/58/1406800758.db2.gz RAMPJSILDPXGIK-HXUWFJFHSA-N 0 1 380.488 3.126 20 0 GGADMN CN(C)[C@H](CNC(=O)NC1CCN(c2ccccc2)CC1)c1cccc(F)c1 ZINC000054679720 1406805001 /nfs/dbraw/zinc/80/50/01/1406805001.db2.gz GLIQDJSFTCTAEF-OAQYLSRUSA-N 0 1 384.499 3.397 20 0 GGADMN CC[C@@H](CNC(=O)c1[nH]nc(C)c1Br)N1CCc2ccccc2C1 ZINC000054705997 1406810269 /nfs/dbraw/zinc/81/02/69/1406810269.db2.gz XPGFHPPVQVQQTP-HNNXBMFYSA-N 0 1 391.313 3.047 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(NC(=O)NC3CC3)c2)N(C)C)c1 ZINC000054813237 1406830634 /nfs/dbraw/zinc/83/06/34/1406830634.db2.gz RWSIHAKSKYTBAK-FQEVSTJZSA-N 0 1 396.491 3.012 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000054842231 1406835377 /nfs/dbraw/zinc/83/53/77/1406835377.db2.gz PJVDHLFGFLFZNT-KRWDZBQOSA-N 0 1 389.521 3.285 20 0 GGADMN C/C(=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 ZINC000054848741 1406837361 /nfs/dbraw/zinc/83/73/61/1406837361.db2.gz RJSZPPRNMSNIKT-PFONDFGASA-N 0 1 394.456 3.319 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000054939200 1406853089 /nfs/dbraw/zinc/85/30/89/1406853089.db2.gz SXQICNJYOZZFDE-LPHOPBHVSA-N 0 1 388.471 3.125 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000054939150 1406853431 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CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000022992000 1399522378 /nfs/dbraw/zinc/52/23/78/1399522378.db2.gz DCCMBSYOESJNAD-KRWDZBQOSA-N 0 1 382.508 3.364 20 0 GGADMN O=C(CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)NCc1ccco1 ZINC000022994860 1399522524 /nfs/dbraw/zinc/52/25/24/1399522524.db2.gz WTRXKSCBCSDEDS-UHFFFAOYSA-N 0 1 395.425 3.123 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000023076637 1399531211 /nfs/dbraw/zinc/53/12/11/1399531211.db2.gz UHOPDNNHMVPGBS-UHFFFAOYSA-N 0 1 392.503 3.126 20 0 GGADMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000055638677 1407035549 /nfs/dbraw/zinc/03/55/49/1407035549.db2.gz QNFLDCPXTUDFAC-UHFFFAOYSA-N 0 1 378.450 3.243 20 0 GGADMN COC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 ZINC000055637612 1407035612 /nfs/dbraw/zinc/03/56/12/1407035612.db2.gz UOPVDQBBVFGTAM-UHFFFAOYSA-N 0 1 398.824 3.106 20 0 GGADMN CCc1ccccc1N1C[C@@H](C(=O)NC[C@H](c2ccsc2)N(C)C)CC1=O ZINC000023132974 1399534321 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C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000029447369 1400300993 /nfs/dbraw/zinc/30/09/93/1400300993.db2.gz DSMNXGQWMHRKGK-INIZCTEOSA-N 0 1 380.492 3.187 20 0 GGADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000029447365 1400301179 /nfs/dbraw/zinc/30/11/79/1400301179.db2.gz DSMNXGQWMHRKGK-MRXNPFEDSA-N 0 1 380.492 3.187 20 0 GGADMN O=c1cc(CN2CCC([C@H](O)c3ccccc3)CC2)nc2ccc(Cl)cn12 ZINC000029479087 1400304240 /nfs/dbraw/zinc/30/42/40/1400304240.db2.gz ZIBMABCTAWTOMA-OAQYLSRUSA-N 0 1 383.879 3.294 20 0 GGADMN CN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029490023 1400305311 /nfs/dbraw/zinc/30/53/11/1400305311.db2.gz RXDPQPWSDSTREC-QFIPXVFZSA-N 0 1 391.515 3.158 20 0 GGADMN CN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H]1CCc2ccccc21 ZINC000029489280 1400305359 /nfs/dbraw/zinc/30/53/59/1400305359.db2.gz VVTNUGGOFFTBHX-JOCHJYFZSA-N 0 1 391.515 3.483 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000029497027 1400306644 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CCN(CC)C(=O)c1cccc(NC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000043498129 1403775480 /nfs/dbraw/zinc/77/54/80/1403775480.db2.gz WZTGZPWMEQGWQU-UHFFFAOYSA-N 0 1 394.519 3.348 20 0 GGADMN O=C(Nc1nc(CN2CCCCC2)cs1)N1CCN(C2CCCC2)CC1 ZINC000043516789 1403778215 /nfs/dbraw/zinc/77/82/15/1403778215.db2.gz FCXCRNFRJUAJHY-UHFFFAOYSA-N 0 1 377.558 3.221 20 0 GGADMN C[C@H]1CCCN(Cc2csc(NC(=O)N3CCN(C4CCCC4)CC3)n2)C1 ZINC000043546492 1403783721 /nfs/dbraw/zinc/78/37/21/1403783721.db2.gz QNPVKUOMMICXQH-INIZCTEOSA-N 0 1 391.585 3.467 20 0 GGADMN CCCc1nnc(NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)s1 ZINC000043556616 1403784156 /nfs/dbraw/zinc/78/41/56/1403784156.db2.gz FLCDWMORXPFEJJ-UHFFFAOYSA-N 0 1 389.525 3.239 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000043574141 1403787104 /nfs/dbraw/zinc/78/71/04/1403787104.db2.gz OAVNSUXFHGKLJB-SFHVURJKSA-N 0 1 382.464 3.365 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCNC(=O)c1ccco1 ZINC000043628914 1403794028 /nfs/dbraw/zinc/79/40/28/1403794028.db2.gz 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NC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000043713071 1403806052 /nfs/dbraw/zinc/80/60/52/1403806052.db2.gz RKWUHNORAVEEGX-GOSISDBHSA-N 0 1 386.883 3.398 20 0 GGADMN NC(=O)c1ccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000043713682 1403806383 /nfs/dbraw/zinc/80/63/83/1403806383.db2.gz LLAOWWOCKFCRFW-UHFFFAOYSA-N 0 1 388.471 3.288 20 0 GGADMN NC(=O)c1cccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000043716543 1403806848 /nfs/dbraw/zinc/80/68/48/1403806848.db2.gz OUIKNNOYXRHOCH-UHFFFAOYSA-N 0 1 388.471 3.288 20 0 GGADMN NC(=O)c1cccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000043716747 1403806871 /nfs/dbraw/zinc/80/68/71/1403806871.db2.gz LTDVJFJILLHUSE-GOSISDBHSA-N 0 1 386.883 3.398 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2cccc(C(N)=O)c2)N2CCCCC2)cc1 ZINC000043716962 1403807139 /nfs/dbraw/zinc/80/71/39/1403807139.db2.gz DKKSONGKFYUESK-FQEVSTJZSA-N 0 1 396.491 3.143 20 0 GGADMN Cc1nc(COc2ccccc2C(=O)NC[C@H](c2ccsc2)N(C)C)no1 ZINC000043750884 1403811568 /nfs/dbraw/zinc/81/15/68/1403811568.db2.gz BZFCXHBFPYXORN-MRXNPFEDSA-N 0 1 386.477 3.051 20 0 GGADMN CC(=O)N[C@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000043752878 1403812053 /nfs/dbraw/zinc/81/20/53/1403812053.db2.gz UKGQXSKGBVSUEI-FQEVSTJZSA-N 0 1 391.943 3.116 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(-c2ccccn2)n1 ZINC000043786393 1403816665 /nfs/dbraw/zinc/81/66/65/1403816665.db2.gz HDFREXUQVNQFFV-MRXNPFEDSA-N 0 1 380.452 3.127 20 0 GGADMN Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)n(-c2ccc(C)cc2)n1 ZINC000043787726 1403817142 /nfs/dbraw/zinc/81/71/42/1403817142.db2.gz UXWKVBLDZYECON-HDICACEKSA-N 0 1 385.512 3.110 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000043799244 1403818913 /nfs/dbraw/zinc/81/89/13/1403818913.db2.gz BJBGMMXPVPTTSM-IBGZPJMESA-N 0 1 393.535 3.086 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2ccccc2N2CCCC2)N(C)C)c1 ZINC000056554305 1407359603 /nfs/dbraw/zinc/35/96/03/1407359603.db2.gz DHVKDYHFSWMQJP-JOCHJYFZSA-N 0 1 396.535 3.398 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000043799246 1403819171 /nfs/dbraw/zinc/81/91/71/1403819171.db2.gz BJBGMMXPVPTTSM-LJQANCHMSA-N 0 1 393.535 3.086 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000043799942 1403819662 /nfs/dbraw/zinc/81/96/62/1403819662.db2.gz XYALMWXNGLMCON-INIZCTEOSA-N 0 1 395.507 3.280 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCCCOc2ccccc2)CC1 ZINC000043800344 1403819858 /nfs/dbraw/zinc/81/98/58/1403819858.db2.gz ZRORXTFTYFLRDP-UHFFFAOYSA-N 0 1 382.508 3.419 20 0 GGADMN C[C@@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)c1nc2ccccc2[nH]1 ZINC000043800522 1403819932 /nfs/dbraw/zinc/81/99/32/1403819932.db2.gz CCJJEMQBWWVLII-OAHLLOKOSA-N 0 1 378.480 3.197 20 0 GGADMN Cc1cccc(OCCCNC(=O)Nc2ccccc2N2CCN(C)CC2)c1 ZINC000043800324 1403819958 /nfs/dbraw/zinc/81/99/58/1403819958.db2.gz GBWBOXWNPXLTNZ-UHFFFAOYSA-N 0 1 382.508 3.337 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCc2ccccc2OC(F)F)CC1 ZINC000043800205 1403820055 /nfs/dbraw/zinc/82/00/55/1403820055.db2.gz GTMOGXNPAROORK-UHFFFAOYSA-N 0 1 390.434 3.362 20 0 GGADMN Cc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000043803591 1403820587 /nfs/dbraw/zinc/82/05/87/1403820587.db2.gz SOBKYMXJXMCJNX-UHFFFAOYSA-N 0 1 378.451 3.482 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)C3=Cc4ccccc4OC3)CC2)cc1 ZINC000043810158 1403821207 /nfs/dbraw/zinc/82/12/07/1403821207.db2.gz OJBAMSXJOYJZOM-UHFFFAOYSA-N 0 1 378.472 3.206 20 0 GGADMN COc1ccc([C@H](NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C(C)C)cc1 ZINC000043822534 1403821645 /nfs/dbraw/zinc/82/16/45/1403821645.db2.gz VXIPXTIBJLETTE-WOJBJXKFSA-N 0 1 377.529 3.048 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000043821085 1403821802 /nfs/dbraw/zinc/82/18/02/1403821802.db2.gz NFWDHJYYLHKHRP-PXNSSMCTSA-N 0 1 377.529 3.191 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(Cc2ccco2)Cc2cccs2)C1 ZINC000043822112 1403822002 /nfs/dbraw/zinc/82/20/02/1403822002.db2.gz OIPKBTJEXGSQFZ-GOSISDBHSA-N 0 1 391.537 3.410 20 0 GGADMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1F ZINC000043829676 1403825063 /nfs/dbraw/zinc/82/50/63/1403825063.db2.gz HNBAFPUMVBJZJN-UHFFFAOYSA-N 0 1 389.902 3.417 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccccc1N1CCCC1=O)c1cccc(F)c1 ZINC000043853070 1403832063 /nfs/dbraw/zinc/83/20/63/1403832063.db2.gz IIMJSKQTHUBHDR-LJQANCHMSA-N 0 1 384.455 3.377 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000043879088 1403839629 /nfs/dbraw/zinc/83/96/29/1403839629.db2.gz LSNVKFCEKVSPNM-STQMWFEESA-N 0 1 375.391 3.206 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1 ZINC000043876860 1403839704 /nfs/dbraw/zinc/83/97/04/1403839704.db2.gz AEDMWKIIFNJVNS-UHFFFAOYSA-N 0 1 395.507 3.027 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)NCCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043890108 1403841577 /nfs/dbraw/zinc/84/15/77/1403841577.db2.gz KRZKLPKEUCGUJZ-UHFFFAOYSA-N 0 1 395.503 3.184 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(F)c1 ZINC000043918230 1403844796 /nfs/dbraw/zinc/84/47/96/1403844796.db2.gz JLANTMFNMONADD-LJQANCHMSA-N 0 1 384.455 3.142 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(OCC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000043919162 1403845498 /nfs/dbraw/zinc/84/54/98/1403845498.db2.gz IBGQODHYVVJUTP-ZIAGYGMSSA-N 0 1 389.418 3.249 20 0 GGADMN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000043936557 1403849074 /nfs/dbraw/zinc/84/90/74/1403849074.db2.gz UUFCGGMMKHMNNJ-CQSZACIVSA-N 0 1 378.498 3.456 20 0 GGADMN O=C(NN=C1C(=O)Nc2ccc(-c3ccccc3)cc21)c1[nH]nc2c1CCCC2 ZINC000043954558 1403852954 /nfs/dbraw/zinc/85/29/54/1403852954.db2.gz SCWWSVBCGQHNRH-UHFFFAOYSA-N 0 1 385.427 3.042 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)cc1 ZINC000043991683 1403856809 /nfs/dbraw/zinc/85/68/09/1403856809.db2.gz SYKJLXIAYMSPDZ-UHFFFAOYSA-N 0 1 394.519 3.437 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000043992775 1403856876 /nfs/dbraw/zinc/85/68/76/1403856876.db2.gz PICOSIDLMRCINL-SFHVURJKSA-N 0 1 384.480 3.330 20 0 GGADMN Clc1ccc(CN2CCC(N=Nc3ccc(-n4cccn4)nn3)CC2)cc1 ZINC000043992052 1403856943 /nfs/dbraw/zinc/85/69/43/1403856943.db2.gz NDNIIXDOEFVYPS-UHFFFAOYSA-N 0 1 381.871 3.380 20 0 GGADMN Cc1c(C(=O)Nc2ccccc2N2CCN(C)CC2)cnn1-c1cccc(C)c1 ZINC000044011690 1403859657 /nfs/dbraw/zinc/85/96/57/1403859657.db2.gz BCVKWJDOPPFCIW-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(F)c1 ZINC000044014495 1403860266 /nfs/dbraw/zinc/86/02/66/1403860266.db2.gz VBHCGLTVVRGLHR-HXUWFJFHSA-N 0 1 398.482 3.486 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000044014531 1403860418 /nfs/dbraw/zinc/86/04/18/1403860418.db2.gz XYUIEZITRMYWAN-IBGZPJMESA-N 0 1 396.491 3.474 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(F)c1 ZINC000044014494 1403860572 /nfs/dbraw/zinc/86/05/72/1403860572.db2.gz VBHCGLTVVRGLHR-FQEVSTJZSA-N 0 1 398.482 3.486 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(OC(F)(F)F)c2)C[C@H](C)O1 ZINC000044017925 1403861862 /nfs/dbraw/zinc/86/18/62/1403861862.db2.gz LKNIZJWIANSSDS-BETUJISGSA-N 0 1 375.391 3.206 20 0 GGADMN CC(C)(C)NC(=O)c1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000044017131 1403861964 /nfs/dbraw/zinc/86/19/64/1403861964.db2.gz ZGLTUUSJKMXJNP-UHFFFAOYSA-N 0 1 394.519 3.395 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000044031390 1403862986 /nfs/dbraw/zinc/86/29/86/1403862986.db2.gz OTHQNEGCUBWWBZ-IRXDYDNUSA-N 0 1 390.528 3.292 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000044031500 1403863120 /nfs/dbraw/zinc/86/31/20/1403863120.db2.gz VBODVJQUBAUFNH-IBGZPJMESA-N 0 1 390.528 3.150 20 0 GGADMN COc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1NC(C)=O ZINC000044034004 1403864133 /nfs/dbraw/zinc/86/41/33/1403864133.db2.gz PWBDKYUATFFXRM-MRXNPFEDSA-N 0 1 376.482 3.140 20 0 GGADMN COc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1NC(C)=O ZINC000044035980 1403864801 /nfs/dbraw/zinc/86/48/01/1403864801.db2.gz LWXPPPXYQVSJGP-GOSISDBHSA-N 0 1 388.443 3.217 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000044141442 1403883587 /nfs/dbraw/zinc/88/35/87/1403883587.db2.gz JVQYXBPAGBGYLG-IBGZPJMESA-N 0 1 396.491 3.474 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000044149045 1403887154 /nfs/dbraw/zinc/88/71/54/1403887154.db2.gz BZHCTEKYMOJPHA-SFHVURJKSA-N 0 1 388.537 3.240 20 0 GGADMN CN1CCN(c2cc(CNC(=S)Nc3ccc(F)c(Cl)c3)ccn2)CC1 ZINC000044153776 1403889799 /nfs/dbraw/zinc/88/97/99/1403889799.db2.gz FDKFSTIJWSERBF-UHFFFAOYSA-N 0 1 393.919 3.113 20 0 GGADMN CC(C)c1ccc(NC(=S)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000044153764 1403890009 /nfs/dbraw/zinc/89/00/09/1403890009.db2.gz PJJPBZGFEZBVJV-UHFFFAOYSA-N 0 1 383.565 3.443 20 0 GGADMN O=C(c1cccc2c[nH]nc21)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000044156543 1403890636 /nfs/dbraw/zinc/89/06/36/1403890636.db2.gz BECDTYRUYJZDSV-UHFFFAOYSA-N 0 1 384.867 3.053 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000044182483 1403896190 /nfs/dbraw/zinc/89/61/90/1403896190.db2.gz KMZPYBXMGSCSSJ-SFHVURJKSA-N 0 1 384.480 3.296 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000044243602 1403907121 /nfs/dbraw/zinc/90/71/21/1403907121.db2.gz LXZDCBNUNQFVMT-UHFFFAOYSA-N 0 1 378.904 3.272 20 0 GGADMN COCCOc1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)ccc1OC ZINC000044296013 1403914069 /nfs/dbraw/zinc/91/40/69/1403914069.db2.gz UZNJVNHPSMZAQM-MRXNPFEDSA-N 0 1 393.509 3.206 20 0 GGADMN COCCOc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)ccc1OC ZINC000044296009 1403914114 /nfs/dbraw/zinc/91/41/14/1403914114.db2.gz UZNJVNHPSMZAQM-INIZCTEOSA-N 0 1 393.509 3.206 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@H](C)O1 ZINC000044310079 1403918287 /nfs/dbraw/zinc/91/82/87/1403918287.db2.gz UKMOZXXOXHPKLZ-OKILXGFUSA-N 0 1 389.418 3.249 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(-n3cc(C)cn3)cc2)N(C)C)c1 ZINC000044314280 1403919835 /nfs/dbraw/zinc/91/98/35/1403919835.db2.gz KUXPWWZMSDHFJR-OAQYLSRUSA-N 0 1 378.476 3.222 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000044331779 1403921057 /nfs/dbraw/zinc/92/10/57/1403921057.db2.gz MIEMKHNXRNXQEN-UHFFFAOYSA-N 0 1 393.409 3.475 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000044331161 1403921089 /nfs/dbraw/zinc/92/10/89/1403921089.db2.gz YHGYQVCSRKFDJT-JOCHJYFZSA-N 0 1 395.503 3.424 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000044357921 1403923998 /nfs/dbraw/zinc/92/39/98/1403923998.db2.gz UCPURSOORIVJAP-IBGZPJMESA-N 0 1 388.537 3.318 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000044377681 1403927209 /nfs/dbraw/zinc/92/72/09/1403927209.db2.gz XXGHYSVQQYHZNB-UHFFFAOYSA-N 0 1 377.847 3.248 20 0 GGADMN CCOC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000044380610 1403927808 /nfs/dbraw/zinc/92/78/08/1403927808.db2.gz WLTSIGZXEYPHCB-INIZCTEOSA-N 0 1 379.403 3.013 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)CC1=O ZINC000044516476 1403942682 /nfs/dbraw/zinc/94/26/82/1403942682.db2.gz QRFYKHTWEKVVGF-NJAFHUGGSA-N 0 1 385.533 3.077 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000056582973 1407369457 /nfs/dbraw/zinc/36/94/57/1407369457.db2.gz YMIDPSOUESJBIL-LJQANCHMSA-N 0 1 398.507 3.245 20 0 GGADMN Cc1nc2ccc(NC(=O)[C@H](NC(=O)NCc3ccccc3)C(C)C)cc2[nH]1 ZINC000044685863 1403983096 /nfs/dbraw/zinc/98/30/96/1403983096.db2.gz KSQFSQHXSNHWGT-LJQANCHMSA-N 0 1 379.464 3.334 20 0 GGADMN CN1CCN(c2ccc(NC(=O)COc3ccccc3)c(C(F)(F)F)c2)CC1 ZINC000044796596 1404003800 /nfs/dbraw/zinc/00/38/00/1404003800.db2.gz HRPNSTHUWYQIHG-UHFFFAOYSA-N 0 1 393.409 3.475 20 0 GGADMN Cc1noc(C)c1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000044796660 1404003863 /nfs/dbraw/zinc/00/38/63/1404003863.db2.gz JYLRBRGDGVURPK-UHFFFAOYSA-N 0 1 396.413 3.243 20 0 GGADMN C[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000044835010 1404009396 /nfs/dbraw/zinc/00/93/96/1404009396.db2.gz FJTCLCRLUUZSCQ-HNAYVOBHSA-N 0 1 391.943 3.288 20 0 GGADMN COC(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000044854638 1404012485 /nfs/dbraw/zinc/01/24/85/1404012485.db2.gz YNTASTUZIAQPQH-LJQANCHMSA-N 0 1 382.460 3.049 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000044879681 1404016330 /nfs/dbraw/zinc/01/63/30/1404016330.db2.gz MENNPBTUXQAGEU-RBUKOAKNSA-N 0 1 397.485 3.289 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(CCC(C)C)C1CC1 ZINC000044898481 1404017804 /nfs/dbraw/zinc/01/78/04/1404017804.db2.gz LRZJTNLHXTVKFL-UHFFFAOYSA-N 0 1 392.569 3.317 20 0 GGADMN COc1ccc(COCC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000045014185 1404037653 /nfs/dbraw/zinc/03/76/53/1404037653.db2.gz WGXZTOGCPNIJDN-UHFFFAOYSA-N 0 1 382.504 3.255 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)[nH]n1 ZINC000045019994 1404038741 /nfs/dbraw/zinc/03/87/41/1404038741.db2.gz AJDIBMSVWGTTDM-LBPRGKRZSA-N 0 1 392.415 3.447 20 0 GGADMN Cc1ccccc1CN1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 ZINC000045034704 1404041291 /nfs/dbraw/zinc/04/12/91/1404041291.db2.gz BBJRJYJHFHOJNM-UHFFFAOYSA-N 0 1 395.532 3.200 20 0 GGADMN CC(C)c1cc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)n[nH]1 ZINC000045043437 1404042911 /nfs/dbraw/zinc/04/29/11/1404042911.db2.gz RFKHAHLGCRSKSW-UHFFFAOYSA-N 0 1 376.888 3.023 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000045041829 1404043341 /nfs/dbraw/zinc/04/33/41/1404043341.db2.gz WXWGKEVAJRIAQC-UHFFFAOYSA-N 0 1 398.938 3.230 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)N1CCCC1 ZINC000045053273 1404045349 /nfs/dbraw/zinc/04/53/49/1404045349.db2.gz GUKIQAMMDFRVAS-OAQYLSRUSA-N 0 1 390.487 3.448 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(N(C)c3ccccc3)nc2)C[C@H](C)O1 ZINC000045064911 1404048081 /nfs/dbraw/zinc/04/80/81/1404048081.db2.gz KNOHLDWMQOUFGG-HDICACEKSA-N 0 1 382.508 3.079 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccccc1N(C)C(=O)C1CC1)c1cccc(F)c1 ZINC000045080064 1404050175 /nfs/dbraw/zinc/05/01/75/1404050175.db2.gz IICYDPZVCOVAQL-FQEVSTJZSA-N 0 1 383.467 3.231 20 0 GGADMN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CCN(C2CCCC2)CC1 ZINC000045085750 1404051615 /nfs/dbraw/zinc/05/16/15/1404051615.db2.gz YRSVNLVHCOHPOA-UHFFFAOYSA-N 0 1 398.532 3.025 20 0 GGADMN O=C(COc1ccc(Oc2ccccn2)cc1)N1CCN(C2CCCC2)CC1 ZINC000045086214 1404051663 /nfs/dbraw/zinc/05/16/63/1404051663.db2.gz NWOKZSCLOPYPGH-UHFFFAOYSA-N 0 1 381.476 3.340 20 0 GGADMN CCC[C@@H](C)N(C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000045126684 1404059123 /nfs/dbraw/zinc/05/91/23/1404059123.db2.gz QWZCLTHYSDUTIH-GOSISDBHSA-N 0 1 376.545 3.037 20 0 GGADMN CC(C)[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000045149809 1404063704 /nfs/dbraw/zinc/06/37/04/1404063704.db2.gz MECFGSDCSIUIJY-NRFANRHFSA-N 0 1 381.524 3.030 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000045151715 1404064161 /nfs/dbraw/zinc/06/41/61/1404064161.db2.gz DQSFJGRHYLRHGL-FQEVSTJZSA-N 0 1 377.504 3.277 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000045187096 1404070607 /nfs/dbraw/zinc/07/06/07/1404070607.db2.gz DEQZZQMRDDUPLZ-SFHVURJKSA-N 0 1 389.931 3.146 20 0 GGADMN CCOC(=O)c1cc2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc2[nH]1 ZINC000045263497 1404087565 /nfs/dbraw/zinc/08/75/65/1404087565.db2.gz JVPPWYDLMJNJTM-IBGZPJMESA-N 0 1 391.471 3.349 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000045288225 1404091250 /nfs/dbraw/zinc/09/12/50/1404091250.db2.gz OSJIGAYNSPKMOU-UHFFFAOYSA-N 0 1 378.476 3.039 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000045308993 1404096071 /nfs/dbraw/zinc/09/60/71/1404096071.db2.gz LVFQHBFDELVVEK-UHFFFAOYSA-N 0 1 398.507 3.233 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cccnc3OCC(F)(F)F)cc2)CC1 ZINC000045317129 1404098047 /nfs/dbraw/zinc/09/80/47/1404098047.db2.gz BXSKFPVMCJNDPH-UHFFFAOYSA-N 0 1 394.397 3.027 20 0 GGADMN O=C(NCc1coc(-c2cccs2)n1)NC1CCN(Cc2ccccn2)CC1 ZINC000045345183 1404102830 /nfs/dbraw/zinc/10/28/30/1404102830.db2.gz AOMJMSRLSDSMQW-UHFFFAOYSA-N 0 1 397.504 3.262 20 0 GGADMN COc1ccc2cc(CNC(=O)N3CCC(CN4CCOCC4)CC3)ccc2c1 ZINC000045379146 1404109644 /nfs/dbraw/zinc/10/96/44/1404109644.db2.gz VODGFLFQCJAXGR-UHFFFAOYSA-N 0 1 397.519 3.102 20 0 GGADMN C[C@H](CCc1ccc(O)cc1)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045380678 1404110690 /nfs/dbraw/zinc/11/06/90/1404110690.db2.gz GFZLQAWYXAFNEA-QGZVFWFLSA-N 0 1 382.508 3.072 20 0 GGADMN C[C@@H](CCc1ccc(O)cc1)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045380676 1404110714 /nfs/dbraw/zinc/11/07/14/1404110714.db2.gz GFZLQAWYXAFNEA-KRWDZBQOSA-N 0 1 382.508 3.072 20 0 GGADMN COc1ccc(-c2n[nH]c(SCCCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000045382382 1404111152 /nfs/dbraw/zinc/11/11/52/1404111152.db2.gz YXOZRHKQEAUSGC-UHFFFAOYSA-N 0 1 394.456 3.259 20 0 GGADMN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCN(C(C)C)CC1 ZINC000045429859 1404120332 /nfs/dbraw/zinc/12/03/32/1404120332.db2.gz WHTKBGWTQNJJNS-UHFFFAOYSA-N 0 1 381.480 3.438 20 0 GGADMN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCN(C(C)C)CC1 ZINC000045430093 1404120375 /nfs/dbraw/zinc/12/03/75/1404120375.db2.gz KAULMDRTRAXFAR-UHFFFAOYSA-N 0 1 383.521 3.346 20 0 GGADMN CC(C)N1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 ZINC000045429082 1404120475 /nfs/dbraw/zinc/12/04/75/1404120475.db2.gz CSFVQRWAUXDZNQ-UHFFFAOYSA-N 0 1 380.579 3.487 20 0 GGADMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000045444112 1404122523 /nfs/dbraw/zinc/12/25/23/1404122523.db2.gz VGLIKXPPVOIJHW-HOTGVXAUSA-N 0 1 383.558 3.406 20 0 GGADMN COc1cccc([C@H]2CCCN2C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000045454652 1404124842 /nfs/dbraw/zinc/12/48/42/1404124842.db2.gz JVEXVOKUTGALHV-FUHIMQAGSA-N 0 1 375.513 3.041 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cccc(C[S@@](C)=O)c1)N1CCc2ccccc2C1 ZINC000045458097 1404125201 /nfs/dbraw/zinc/12/52/01/1404125201.db2.gz VWDLIXOULHFSGR-DFHRPNOPSA-N 0 1 398.572 3.378 20 0 GGADMN CC(C)[C@H](CNC(=O)c1cccc(C[S@](C)=O)c1)N1CCc2ccccc2C1 ZINC000045458094 1404125407 /nfs/dbraw/zinc/12/54/07/1404125407.db2.gz VWDLIXOULHFSGR-RBISFHTESA-N 0 1 398.572 3.378 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N(Cc2ccco2)Cc2ccco2)C[C@H](C)O1 ZINC000045456031 1404125570 /nfs/dbraw/zinc/12/55/70/1404125570.db2.gz WBALLKGYBBQYNO-IRXDYDNUSA-N 0 1 375.469 3.084 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N(Cc2ccco2)Cc2ccccc2)C[C@H](C)O1 ZINC000045455913 1404125634 /nfs/dbraw/zinc/12/56/34/1404125634.db2.gz FGWXUJWLEBOBNC-OALUTQOASA-N 0 1 385.508 3.491 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)N1CCc2ccccc2C1 ZINC000045464738 1404126827 /nfs/dbraw/zinc/12/68/27/1404126827.db2.gz HHQBAVUJJSQOAP-INIZCTEOSA-N 0 1 377.488 3.212 20 0 GGADMN CSc1nc(C)c(CCC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)n1 ZINC000045464989 1404127042 /nfs/dbraw/zinc/12/70/42/1404127042.db2.gz SLXVNXUFUIWAFP-OAHLLOKOSA-N 0 1 398.576 3.311 20 0 GGADMN C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)N1CCc2ccccc2C1 ZINC000045464740 1404127082 /nfs/dbraw/zinc/12/70/82/1404127082.db2.gz HHQBAVUJJSQOAP-MRXNPFEDSA-N 0 1 377.488 3.212 20 0 GGADMN C[C@H](CNC(=O)CCc1nnc(-c2ccccc2)o1)N1CCc2ccccc2C1 ZINC000045465117 1404127095 /nfs/dbraw/zinc/12/70/95/1404127095.db2.gz NRFWZMSDWXXWBB-QGZVFWFLSA-N 0 1 390.487 3.232 20 0 GGADMN COc1ccc(/C=C/C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1OC ZINC000045498844 1404133086 /nfs/dbraw/zinc/13/30/86/1404133086.db2.gz LXHAWBFZLCZQBM-QXLXQBSBSA-N 0 1 380.488 3.280 20 0 GGADMN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000045498485 1404133284 /nfs/dbraw/zinc/13/32/84/1404133284.db2.gz ZHOWNDLOZFZTHK-HOTGVXAUSA-N 0 1 399.922 3.021 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CNC(=S)N[N-]C(=O)c1sc2ccccc2c1Cl ZINC000045521954 1404137860 /nfs/dbraw/zinc/13/78/60/1404137860.db2.gz YNHFUXZCYFPPCD-LLVKDONJSA-N 0 1 396.969 3.148 20 0 GGADMN CCOc1cc(NC(=O)NC[C@@H](C(CC)CC)N2CCOCC2)ccc1OC ZINC000045526132 1404138588 /nfs/dbraw/zinc/13/85/88/1404138588.db2.gz CFLBWOPCXGTTCA-SFHVURJKSA-N 0 1 393.528 3.352 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000045539403 1404143008 /nfs/dbraw/zinc/14/30/08/1404143008.db2.gz FNOWILGJLZCAND-FQEVSTJZSA-N 0 1 392.507 3.272 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccccc1Cn1cccn1)c1ccsc1 ZINC000045541246 1404143449 /nfs/dbraw/zinc/14/34/49/1404143449.db2.gz TVAFRABTBDWFRQ-IBGZPJMESA-N 0 1 383.521 3.095 20 0 GGADMN CN(C)[C@H](CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccsc1 ZINC000056624848 1407384507 /nfs/dbraw/zinc/38/45/07/1407384507.db2.gz DHRBMOJLNXAHDH-QZTJIDSGSA-N 0 1 377.510 3.335 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(Cn2ccnc2)cc1)c1cccs1 ZINC000045606280 1404158984 /nfs/dbraw/zinc/15/89/84/1404158984.db2.gz ZBJZPBQWXAHUJP-GOSISDBHSA-N 0 1 383.521 3.095 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H](C)Sc1nncn1C)c1ccccc1Cl ZINC000045617696 1404163532 /nfs/dbraw/zinc/16/35/32/1404163532.db2.gz MRZHIXISHFNSFB-XJKSGUPXSA-N 0 1 395.960 3.148 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C[C@@H](C)O1 ZINC000045633013 1404165325 /nfs/dbraw/zinc/16/53/25/1404165325.db2.gz ZUGZUONMSLNMKP-CKEIUWERSA-N 0 1 381.517 3.161 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)ccc2c1 ZINC000045632781 1404165374 /nfs/dbraw/zinc/16/53/74/1404165374.db2.gz XLUPASDBWQMQML-HDICACEKSA-N 0 1 399.535 3.489 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N(C)Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000045633059 1404165472 /nfs/dbraw/zinc/16/54/72/1404165472.db2.gz SIXRWYPBVPSGBI-GJZGRUSLSA-N 0 1 387.446 3.346 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000045633853 1404165961 /nfs/dbraw/zinc/16/59/61/1404165961.db2.gz GRYNLPIGNXDMIO-HUUCEWRRSA-N 0 1 387.446 3.346 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)N1CCOCC1 ZINC000045636373 1404167167 /nfs/dbraw/zinc/16/71/67/1404167167.db2.gz LHGLRUIUMBJZNU-HNAYVOBHSA-N 0 1 387.528 3.060 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000045640953 1404168764 /nfs/dbraw/zinc/16/87/64/1404168764.db2.gz CRSQSJUZHANAEP-UHFFFAOYSA-N 0 1 382.508 3.333 20 0 GGADMN Cc1cc(NC(=O)c2cccc(Cn3ccnc3)c2)ccc1N1CCN(C)CC1 ZINC000045647225 1404169249 /nfs/dbraw/zinc/16/92/49/1404169249.db2.gz BFXZIRLCJQNSJP-UHFFFAOYSA-N 0 1 389.503 3.244 20 0 GGADMN O=C(CN1CCC2(CC1)OCCO2)N(CCc1ccccc1)Cc1ccccc1 ZINC000045748992 1404193836 /nfs/dbraw/zinc/19/38/36/1404193836.db2.gz FAVXHUSZVRVYAU-UHFFFAOYSA-N 0 1 394.515 3.097 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CCC[C@H]1Cc1ccccc1 ZINC000045754102 1404194702 /nfs/dbraw/zinc/19/47/02/1404194702.db2.gz DWSXWRIAQKCWBO-QFIPXVFZSA-N 0 1 378.520 3.463 20 0 GGADMN COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045755083 1404195065 /nfs/dbraw/zinc/19/50/65/1404195065.db2.gz XCOGHCJPILIFFE-HNNXBMFYSA-N 0 1 386.471 3.254 20 0 GGADMN Cc1ccccc1OCCN(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045755677 1404196098 /nfs/dbraw/zinc/19/60/98/1404196098.db2.gz XFWQTAJFZLHNMF-UHFFFAOYSA-N 0 1 382.508 3.075 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000045756298 1404196247 /nfs/dbraw/zinc/19/62/47/1404196247.db2.gz XENODIHPZFLUSW-UHFFFAOYSA-N 0 1 396.491 3.006 20 0 GGADMN CC1=NN(c2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2)CC1 ZINC000045766122 1404198012 /nfs/dbraw/zinc/19/80/12/1404198012.db2.gz TVVYYTRIYQFYMZ-UHFFFAOYSA-N 0 1 377.492 3.277 20 0 GGADMN CC(C)[NH+]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000045777583 1404201280 /nfs/dbraw/zinc/20/12/80/1404201280.db2.gz NVKYCIXFYFOEPD-UHFFFAOYSA-N 0 1 386.496 3.317 20 0 GGADMN CCOC(=O)C1C(COC(=O)[C@H](C)CC)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000045779616 1404202165 /nfs/dbraw/zinc/20/21/65/1404202165.db2.gz BZAQNSHUSUMBAS-BZNIZROVSA-N 0 1 394.855 3.100 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000045787548 1404205117 /nfs/dbraw/zinc/20/51/17/1404205117.db2.gz FBPVXGQBQJBBSI-QRVBRYPASA-N 0 1 396.535 3.384 20 0 GGADMN COc1ccc(C(C)=O)cc1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000045794872 1404206807 /nfs/dbraw/zinc/20/68/07/1404206807.db2.gz OPVMIMVJBODWFH-NRFANRHFSA-N 0 1 380.488 3.394 20 0 GGADMN C[C@H](NCc1ccccc1CN1CCCC1=O)C(=O)Nc1cc(F)ccc1F ZINC000045812241 1404211897 /nfs/dbraw/zinc/21/18/97/1404211897.db2.gz PDYCLDHIJRGLOQ-AWEZNQCLSA-N 0 1 387.430 3.204 20 0 GGADMN Cc1c(O)ccc2c(CNCc3ccccc3CN3CCCC3=O)cc(=O)oc12 ZINC000045812103 1404211979 /nfs/dbraw/zinc/21/19/79/1404211979.db2.gz XTQCKNZHMFEDAQ-UHFFFAOYSA-N 0 1 392.455 3.219 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N3CCC[C@H]3c3ccc(F)cc3)ccn2)CC1 ZINC000045845610 1404222275 /nfs/dbraw/zinc/22/22/75/1404222275.db2.gz RTYMWVCULDFYIW-FQEVSTJZSA-N 0 1 397.498 3.019 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(-c3cccnc3)on2)N2CCCC2)c1 ZINC000045857714 1404225916 /nfs/dbraw/zinc/22/59/16/1404225916.db2.gz RCFGKWDUYMTMNX-HXUWFJFHSA-N 0 1 392.459 3.312 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccccc1OC[C@H]1CCCO1)c1cccc(F)c1 ZINC000045871255 1404229890 /nfs/dbraw/zinc/22/98/90/1404229890.db2.gz AUAHCARPZUOQDZ-QUCCMNQESA-N 0 1 386.467 3.416 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000056641006 1407389727 /nfs/dbraw/zinc/38/97/27/1407389727.db2.gz KWLVERSIPKKXPG-KRWDZBQOSA-N 0 1 394.519 3.395 20 0 GGADMN CC1=NN(c2ccc(C(=O)NC[C@H](C)N3CCc4ccccc4C3)cc2)CC1 ZINC000045883196 1404234865 /nfs/dbraw/zinc/23/48/65/1404234865.db2.gz XWZCQHFKHXSBQR-SFHVURJKSA-N 0 1 376.504 3.449 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)N2CCCC2)c1 ZINC000045894737 1404237377 /nfs/dbraw/zinc/23/73/77/1404237377.db2.gz SBVBRSUOYIBHSA-GTCCEBARSA-N 0 1 396.487 3.177 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000045913999 1404240950 /nfs/dbraw/zinc/24/09/50/1404240950.db2.gz NSMHGXWDIUJVTE-JTHBVZDNSA-N 0 1 383.488 3.075 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000056642477 1407390908 /nfs/dbraw/zinc/39/09/08/1407390908.db2.gz QCXDXMOTGRTDSK-IBGZPJMESA-N 0 1 386.471 3.390 20 0 GGADMN O=C(CCc1cccnc1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000045941773 1404248333 /nfs/dbraw/zinc/24/83/33/1404248333.db2.gz BAQYQKVCMJCDKY-UHFFFAOYSA-N 0 1 380.492 3.467 20 0 GGADMN CCc1ncncc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000045941887 1404248571 /nfs/dbraw/zinc/24/85/71/1404248571.db2.gz KMJIBQVTTICLRH-UHFFFAOYSA-N 0 1 381.480 3.106 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000045975907 1404257827 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O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cccc(Cl)c1F ZINC000048852816 1405309379 /nfs/dbraw/zinc/30/93/79/1405309379.db2.gz XIVJEIYWUNAWMB-QGZVFWFLSA-N 0 1 389.858 3.371 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000048853324 1405309408 /nfs/dbraw/zinc/30/94/08/1405309408.db2.gz QVEPUFBTNMIMNN-LJQANCHMSA-N 0 1 383.517 3.300 20 0 GGADMN N#CC(C(=O)Cn1cc(Br)ccc1=O)c1ccc2ccccc2n1 ZINC000048857761 1405310741 /nfs/dbraw/zinc/31/07/41/1405310741.db2.gz XKIMZRFGQYXVQX-CQSZACIVSA-N 0 1 382.217 3.035 20 0 GGADMN N#CC(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc2ccccc2n1 ZINC000048858846 1405311212 /nfs/dbraw/zinc/31/12/12/1405311212.db2.gz DKAJYPQBAZWUHO-MSOLQXFVSA-N 0 1 376.460 3.339 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000048871538 1405312606 /nfs/dbraw/zinc/31/26/06/1405312606.db2.gz VFKJWAOVVISRMU-OAQYLSRUSA-N 0 1 395.551 3.072 20 0 GGADMN O=C(Nc1ccc2c3c(cccc31)CC2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048877772 1405313327 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ZINC000052746166 1406150604 /nfs/dbraw/zinc/15/06/04/1406150604.db2.gz VOSVIRYAWZGBHU-QUCCMNQESA-N 0 1 385.552 3.369 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)COc2ccc3ccc(=O)oc3c2)n1 ZINC000052778617 1406166608 /nfs/dbraw/zinc/16/66/08/1406166608.db2.gz QYAPHVSUHHMCKH-UHFFFAOYSA-N 0 1 392.371 3.254 20 0 GGADMN CCOC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cc1 ZINC000052778804 1406166901 /nfs/dbraw/zinc/16/69/01/1406166901.db2.gz JBMSVQPSLUAWKN-UHFFFAOYSA-N 0 1 381.392 3.301 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(NC(C)=O)c(SC)c2)n1 ZINC000052779221 1406167451 /nfs/dbraw/zinc/16/74/51/1406167451.db2.gz IWZCPJLLGQYYKB-UHFFFAOYSA-N 0 1 397.460 3.413 20 0 GGADMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000052781223 1406170029 /nfs/dbraw/zinc/17/00/29/1406170029.db2.gz RONUCSPXWNPNLY-UHFFFAOYSA-N 0 1 394.880 3.367 20 0 GGADMN CN(CCCc1ccccc1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000052802481 1406176815 /nfs/dbraw/zinc/17/68/15/1406176815.db2.gz RMYUYWGIOMOKKY-UHFFFAOYSA-N 0 1 385.533 3.229 20 0 GGADMN O=C(CN1CCC[C@H]1c1ccsc1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000052803711 1406177052 /nfs/dbraw/zinc/17/70/52/1406177052.db2.gz SACVPHNJUWJOHJ-IBGZPJMESA-N 0 1 398.532 3.261 20 0 GGADMN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1csc3ccccc13)cc2=O ZINC000052806301 1406180032 /nfs/dbraw/zinc/18/00/32/1406180032.db2.gz CGYVVGNXULTQPJ-UHFFFAOYSA-N 0 1 396.472 3.458 20 0 GGADMN O=C(CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)NC1CCCCCC1 ZINC000052829589 1406187680 /nfs/dbraw/zinc/18/76/80/1406187680.db2.gz POAHAQJACPJDPQ-OAHLLOKOSA-N 0 1 392.931 3.225 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000052829942 1406191017 /nfs/dbraw/zinc/19/10/17/1406191017.db2.gz KLFWIVLHGOHPQB-LRDDRELGSA-N 0 1 395.837 3.397 20 0 GGADMN CC(C)CN(C(=O)CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)C1CC1 ZINC000052829959 1406191294 /nfs/dbraw/zinc/19/12/94/1406191294.db2.gz HTRCUWPDBAAOPX-HNNXBMFYSA-N 0 1 392.931 3.033 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000052829923 1406191453 /nfs/dbraw/zinc/19/14/53/1406191453.db2.gz BMPVTSGCRGRQGS-YVEFUNNKSA-N 0 1 395.837 3.397 20 0 GGADMN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000176306558 1428234076 /nfs/dbraw/zinc/23/40/76/1428234076.db2.gz UQJBMAZOXKSHNV-LJQANCHMSA-N 0 1 393.487 3.437 20 0 GGADMN CC(=O)NCC1CCN([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000052849121 1406199070 /nfs/dbraw/zinc/19/90/70/1406199070.db2.gz NNWCJKCBAKRIFT-SJORKVTESA-N 0 1 381.520 3.254 20 0 GGADMN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000052894901 1406218675 /nfs/dbraw/zinc/21/86/75/1406218675.db2.gz QKYJZLQQOOFENE-SFHVURJKSA-N 0 1 380.492 3.221 20 0 GGADMN Cc1ccc([C@@H](C)N(C)CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000052908269 1406223299 /nfs/dbraw/zinc/22/32/99/1406223299.db2.gz XYVNEPNLSOHBFQ-LJQANCHMSA-N 0 1 387.568 3.389 20 0 GGADMN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000176308687 1428235891 /nfs/dbraw/zinc/23/58/91/1428235891.db2.gz YEEOCPLLZVYTKT-MSOLQXFVSA-N 0 1 399.564 3.391 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000176308687 1428235899 /nfs/dbraw/zinc/23/58/99/1428235899.db2.gz YEEOCPLLZVYTKT-MSOLQXFVSA-N 0 1 399.564 3.391 20 0 GGADMN Clc1cc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc2c1OCCO2 ZINC000052919823 1406230475 /nfs/dbraw/zinc/23/04/75/1406230475.db2.gz AJUGEEJFMDBZRF-IBGZPJMESA-N 0 1 388.895 3.274 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929983 1406231515 /nfs/dbraw/zinc/23/15/15/1406231515.db2.gz AGQWQGYEEWJTQY-JXFKEZNVSA-N 0 1 379.504 3.405 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929891 1406232295 /nfs/dbraw/zinc/23/22/95/1406232295.db2.gz RJYAXUSDZFUHSG-APWZRJJASA-N 0 1 379.504 3.405 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052932362 1406235685 /nfs/dbraw/zinc/23/56/85/1406235685.db2.gz JKTUVMQVWKZENP-QAPCUYQASA-N 0 1 391.943 3.098 20 0 GGADMN Cc1cccc(C2(CNC(=O)N3CCN(C4CCOCC4)CC3)CCCC2)c1 ZINC000176310231 1428237160 /nfs/dbraw/zinc/23/71/60/1428237160.db2.gz XNRXWXDLVLNYQJ-UHFFFAOYSA-N 0 1 385.552 3.313 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(N2CCOC2=O)cc1 ZINC000056767938 1407426087 /nfs/dbraw/zinc/42/60/87/1407426087.db2.gz WAMNNAPWVNXESN-QGZVFWFLSA-N 0 1 384.436 3.195 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000056769372 1407427016 /nfs/dbraw/zinc/42/70/16/1407427016.db2.gz SPEDRSMRVCLYBY-SFHVURJKSA-N 0 1 397.519 3.249 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(C(=O)NC[C@H](c1cccs1)N(C)C)C2 ZINC000056792999 1407434917 /nfs/dbraw/zinc/43/49/17/1407434917.db2.gz UAUMEGUYWXSTQO-GOSISDBHSA-N 0 1 386.521 3.077 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(C(=O)NC[C@H](c1ccco1)N1CCCC1)C2 ZINC000056794232 1407435621 /nfs/dbraw/zinc/43/56/21/1407435621.db2.gz JKDDVSZMJAIBOJ-HXUWFJFHSA-N 0 1 396.491 3.143 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C2 ZINC000056796025 1407435650 /nfs/dbraw/zinc/43/56/50/1407435650.db2.gz MZNXVONUXUAAMR-NRFANRHFSA-N 0 1 398.482 3.155 20 0 GGADMN CCSCc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000056793190 1407435759 /nfs/dbraw/zinc/43/57/59/1407435759.db2.gz UHIYXOQCBHBHRN-UHFFFAOYSA-N 0 1 384.549 3.017 20 0 GGADMN COc1ccccc1OCCN(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000056794258 1407435785 /nfs/dbraw/zinc/43/57/85/1407435785.db2.gz IZWCJHVRNBGFMR-QGZVFWFLSA-N 0 1 387.480 3.146 20 0 GGADMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000176312288 1428238833 /nfs/dbraw/zinc/23/88/33/1428238833.db2.gz QRPBWPWVJDRSQC-CVEARBPZSA-N 0 1 376.522 3.146 20 0 GGADMN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CCc2cc(F)ccc21 ZINC000056838935 1407450763 /nfs/dbraw/zinc/45/07/63/1407450763.db2.gz PAWZDMPLUROIBQ-LJQANCHMSA-N 0 1 375.488 3.147 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@H](C)COc2ccccc2F)N(C)C)c1 ZINC000056854925 1407456682 /nfs/dbraw/zinc/45/66/82/1407456682.db2.gz OHXOKDNTCRVCST-DNVCBOLYSA-N 0 1 389.471 3.204 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000056864564 1407458759 /nfs/dbraw/zinc/45/87/59/1407458759.db2.gz AKFYOGUJPVZFMH-CVEARBPZSA-N 0 1 396.557 3.050 20 0 GGADMN CCN(CC)Cc1cccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000056881568 1407463807 /nfs/dbraw/zinc/46/38/07/1407463807.db2.gz RHWOZSFAFPNGMT-HNNXBMFYSA-N 0 1 392.496 3.468 20 0 GGADMN CC(C)Oc1ncc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000056889990 1407466034 /nfs/dbraw/zinc/46/60/34/1407466034.db2.gz DQBYZCKNHCXJQD-UHFFFAOYSA-N 0 1 388.899 3.312 20 0 GGADMN C[C@H](CNC(=O)NCc1ccccc1-n1ccnc1)N1CCc2ccccc2C1 ZINC000056895633 1407468996 /nfs/dbraw/zinc/46/89/96/1407468996.db2.gz KOUWDWCUWZQMIQ-GOSISDBHSA-N 0 1 389.503 3.118 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@H](C)COc3ccccc3)CC2)cc1 ZINC000056930086 1407475654 /nfs/dbraw/zinc/47/56/54/1407475654.db2.gz WHERKLCYJDGKIQ-LJQANCHMSA-N 0 1 397.519 3.380 20 0 GGADMN CCN(C[C@@H]1CCOC1)C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000056932380 1407476882 /nfs/dbraw/zinc/47/68/82/1407476882.db2.gz HXKZSZTTZDEFMT-AZUAARDMSA-N 0 1 389.540 3.290 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1ccc(C)nc1)N1CCCCC1 ZINC000056932701 1407477057 /nfs/dbraw/zinc/47/70/57/1407477057.db2.gz DLEWKOUAOUJKNU-FQEVSTJZSA-N 0 1 382.508 3.425 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1nc(C)cs1)N1CCCCC1 ZINC000056933341 1407477123 /nfs/dbraw/zinc/47/71/23/1407477123.db2.gz ZMQDWAJXQOKVGN-KRWDZBQOSA-N 0 1 388.537 3.487 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C)nc1)N1CCCCC1 ZINC000056932703 1407477274 /nfs/dbraw/zinc/47/72/74/1407477274.db2.gz DLEWKOUAOUJKNU-HXUWFJFHSA-N 0 1 382.508 3.425 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000056936400 1407477986 /nfs/dbraw/zinc/47/79/86/1407477986.db2.gz SFLSONMMHUPRLB-PMACEKPBSA-N 0 1 389.446 3.351 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000056936507 1407478004 /nfs/dbraw/zinc/47/80/04/1407478004.db2.gz VEBFZCGJWWCNLV-SFHVURJKSA-N 0 1 387.455 3.041 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(Cn2cccn2)cc1)c1ccc(F)cc1 ZINC000056936446 1407478206 /nfs/dbraw/zinc/47/82/06/1407478206.db2.gz CYCVLHJAZZUUQG-OAQYLSRUSA-N 0 1 395.482 3.173 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1 ZINC000056937065 1407478219 /nfs/dbraw/zinc/47/82/19/1407478219.db2.gz LGZQLDZWLBHSEF-FQEVSTJZSA-N 0 1 399.514 3.313 20 0 GGADMN Cc1nc2ccccc2n1CCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000056936237 1407478247 /nfs/dbraw/zinc/47/82/47/1407478247.db2.gz OSRRFSLJQNWRNH-FQEVSTJZSA-N 0 1 383.471 3.086 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000056936404 1407478386 /nfs/dbraw/zinc/47/83/86/1407478386.db2.gz SFLSONMMHUPRLB-WOJBJXKFSA-N 0 1 389.446 3.351 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000056937531 1407478781 /nfs/dbraw/zinc/47/87/81/1407478781.db2.gz ACLFRORERISGAG-IBGZPJMESA-N 0 1 390.528 3.017 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)CCOc1ccccc1F)c1ccc(F)cc1 ZINC000056937446 1407478801 /nfs/dbraw/zinc/47/88/01/1407478801.db2.gz GBQXFZGJQRALSS-SFHVURJKSA-N 0 1 377.435 3.288 20 0 GGADMN Cc1nc2ccccc2n1CCCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000056937816 1407478807 /nfs/dbraw/zinc/47/88/07/1407478807.db2.gz LCPIRWRNRJRMRI-OAQYLSRUSA-N 0 1 397.498 3.476 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000056937106 1407478813 /nfs/dbraw/zinc/47/88/13/1407478813.db2.gz ZGRRRNOQXIRXHZ-VBKZILBWSA-N 0 1 386.471 3.447 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)CCOc1ccccc1F)c1ccc(F)cc1 ZINC000056937449 1407478914 /nfs/dbraw/zinc/47/89/14/1407478914.db2.gz GBQXFZGJQRALSS-GOSISDBHSA-N 0 1 377.435 3.288 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000056949152 1407481241 /nfs/dbraw/zinc/48/12/41/1407481241.db2.gz YNAGLFOBROVNEF-UHFFFAOYSA-N 0 1 390.915 3.352 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](C)NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000056960551 1407487262 /nfs/dbraw/zinc/48/72/62/1407487262.db2.gz AQWOZBLDFDBAOX-LJQANCHMSA-N 0 1 396.535 3.430 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3noc4c3CCCC4)cc2)C[C@@H](C)O1 ZINC000056972346 1407490744 /nfs/dbraw/zinc/49/07/44/1407490744.db2.gz FQODOMBVOQHMGS-HZPDHXFCSA-N 0 1 383.492 3.093 20 0 GGADMN COc1cc(OC)c(CCNC(=O)CCc2nc3cccc(C)c3[nH]2)c(OC)c1 ZINC000176319808 1428242422 /nfs/dbraw/zinc/24/24/22/1428242422.db2.gz JZVFSTMSKBRSOA-UHFFFAOYSA-N 0 1 397.475 3.189 20 0 GGADMN CN1N=C(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)CCC1=O ZINC000056996329 1407495376 /nfs/dbraw/zinc/49/53/76/1407495376.db2.gz ARSFLGGXDPFTPF-UHFFFAOYSA-N 0 1 383.358 3.055 20 0 GGADMN O=C(NCc1ccc([N+](=O)[O-])cc1)NNc1ncc(C(F)(F)F)cc1Cl ZINC000057005967 1407498130 /nfs/dbraw/zinc/49/81/30/1407498130.db2.gz HETBPERKZQUBJL-UHFFFAOYSA-N 0 1 389.721 3.488 20 0 GGADMN CC(C)S(=O)(=O)CC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000057005246 1407498148 /nfs/dbraw/zinc/49/81/48/1407498148.db2.gz NIGYNKDLGLCJLG-UHFFFAOYSA-N 0 1 393.415 3.270 20 0 GGADMN Cc1nc(C(=O)N[C@@H](C)CCC2CCCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000176321740 1428243357 /nfs/dbraw/zinc/24/33/57/1428243357.db2.gz BXOBUQUPDDUMLR-JTQLQIEISA-N 0 1 399.421 3.191 20 0 GGADMN CCCC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(OC)cc1 ZINC000176321356 1428243478 /nfs/dbraw/zinc/24/34/78/1428243478.db2.gz DXCMUOMBQNWBCE-OAQYLSRUSA-N 0 1 389.540 3.433 20 0 GGADMN COc1ccc2c(ccn2CC(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000057055774 1407510969 /nfs/dbraw/zinc/51/09/69/1407510969.db2.gz YPARHMCIMHZIIA-UHFFFAOYSA-N 0 1 392.503 3.036 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)CSc3ccc(F)c(F)c3)c2)CC1 ZINC000057055535 1407511140 /nfs/dbraw/zinc/51/11/40/1407511140.db2.gz VAMFVXNNQGPFMP-UHFFFAOYSA-N 0 1 391.487 3.443 20 0 GGADMN COc1cc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc(OC)c1C ZINC000057055415 1407511420 /nfs/dbraw/zinc/51/14/20/1407511420.db2.gz LNYSVOCEPDQJRM-UHFFFAOYSA-N 0 1 383.492 3.012 20 0 GGADMN CC(C)(C)[C@@H](NCN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(F)cc1 ZINC000057087760 1407518598 /nfs/dbraw/zinc/51/85/98/1407518598.db2.gz PTTBPTYSPYCHQW-INIZCTEOSA-N 0 1 375.444 3.193 20 0 GGADMN 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COc1ccc(-c2n[nH]c(SC[C@H](O)COc3ccccc3F)n2)cc1 ZINC000061731989 1408167270 /nfs/dbraw/zinc/16/72/70/1408167270.db2.gz CZJNVRIMXRQLQJ-CYBMUJFWSA-N 0 1 375.425 3.151 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCN(CC)CC1 ZINC000061745392 1408168817 /nfs/dbraw/zinc/16/88/17/1408168817.db2.gz LRCLVCKTIAEPBX-UHFFFAOYSA-N 0 1 395.547 3.252 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)c(C(N)=O)c3)[nH]c2c1 ZINC000061750879 1408170079 /nfs/dbraw/zinc/17/00/79/1408170079.db2.gz BIJUDXBJFHXXGU-KRWDZBQOSA-N 0 1 381.411 3.478 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2)o1 ZINC000061781932 1408173548 /nfs/dbraw/zinc/17/35/48/1408173548.db2.gz SQDJOSOOXZLIEI-IBGZPJMESA-N 0 1 392.459 3.008 20 0 GGADMN CCN(c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1)C(C)C ZINC000061781980 1408173653 /nfs/dbraw/zinc/17/36/53/1408173653.db2.gz CBQLNHCFFJNNOI-NRFANRHFSA-N 0 1 396.535 3.279 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000061781762 1408174035 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C[C@H](NCc1cccc(OCc2ccccn2)c1)C(=O)NCc1ccccc1 ZINC000067248095 1409052281 /nfs/dbraw/zinc/05/22/81/1409052281.db2.gz RXIBDNALRPDPDE-SFHVURJKSA-N 0 1 375.472 3.455 20 0 GGADMN COc1nc(C)cc(C)c1CNC(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000067256105 1409055280 /nfs/dbraw/zinc/05/52/80/1409055280.db2.gz HWZRGYKENIOYSD-UHFFFAOYSA-N 0 1 397.523 3.089 20 0 GGADMN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000176583354 1428371129 /nfs/dbraw/zinc/37/11/29/1428371129.db2.gz CCNWPHFNVILBKE-MRXNPFEDSA-N 0 1 399.878 3.380 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccccc1 ZINC000067273501 1409060769 /nfs/dbraw/zinc/06/07/69/1409060769.db2.gz ZJGMBAFBMUTWJE-FQEVSTJZSA-N 0 1 394.479 3.001 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)nc2)N2CCCC2)cc1 ZINC000067283641 1409064038 /nfs/dbraw/zinc/06/40/38/1409064038.db2.gz MFJQRVWAXRZSRZ-HXUWFJFHSA-N 0 1 380.492 3.231 20 0 GGADMN COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1-c1nn[n-]n1 ZINC000821808105 1428371841 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Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176742782 1428445068 /nfs/dbraw/zinc/44/50/68/1428445068.db2.gz HGPXMDBHDSDGCY-JTQLQIEISA-N 0 1 393.278 3.334 20 0 GGADMN CC(C)N(C)C(=O)[C@@H](C)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000079498453 1409978420 /nfs/dbraw/zinc/97/84/20/1409978420.db2.gz IGPXFQHLVGBOOD-MRXNPFEDSA-N 0 1 381.561 3.353 20 0 GGADMN C[C@@H](CC1CCCCC1)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000079644428 1409985112 /nfs/dbraw/zinc/98/51/12/1409985112.db2.gz AASLWVPSRYNLBD-KRWDZBQOSA-N 0 1 379.589 3.336 20 0 GGADMN C[C@H](CCc1ccccc1F)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000079823020 1409989874 /nfs/dbraw/zinc/98/98/74/1409989874.db2.gz CWWYEFUASGBOGN-GOSISDBHSA-N 0 1 376.516 3.355 20 0 GGADMN COc1ccc([C@@H](CNCc2csc(C(C)C)n2)N2CCOCC2)cc1 ZINC000079914254 1409991872 /nfs/dbraw/zinc/99/18/72/1409991872.db2.gz FYVIWRXGFQDDDM-LJQANCHMSA-N 0 1 375.538 3.438 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 ZINC000079914904 1409992508 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0 GGADMN CC(C)[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Cl)N1CCN(C)CC1 ZINC000079955303 1409995310 /nfs/dbraw/zinc/99/53/10/1409995310.db2.gz HROZYQLMHCEAMR-LPHOPBHVSA-N 0 1 380.964 3.314 20 0 GGADMN O=C(N[C@H](CO)C1CCCCC1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000080020172 1409997906 /nfs/dbraw/zinc/99/79/06/1409997906.db2.gz DHDIZXCWCHWPQU-HXUWFJFHSA-N 0 1 377.504 3.031 20 0 GGADMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000176748639 1428447200 /nfs/dbraw/zinc/44/72/00/1428447200.db2.gz KPOOOEDSZCZFCK-CQSZACIVSA-N 0 1 388.431 3.157 20 0 GGADMN CCc1c(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)[nH]nc1-c1ccncc1 ZINC000176749744 1428447266 /nfs/dbraw/zinc/44/72/66/1428447266.db2.gz RCLVZAKKGKVHJE-CYBMUJFWSA-N 0 1 387.484 3.476 20 0 GGADMN CC[C@H](C)[C@@H](NCc1ccnn1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000080201387 1410002509 /nfs/dbraw/zinc/00/25/09/1410002509.db2.gz FLTSGGIPQWFRSN-PGRDOPGGSA-N 0 1 382.552 3.406 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)N(C)C2CCCCC2)CCN1Cc1ccccc1 ZINC000080276069 1410004013 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GGADMN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN[C@H](C)[C@H]1CN(C)CCO1 ZINC000091063542 1410068928 /nfs/dbraw/zinc/06/89/28/1410068928.db2.gz GSVKOVKPOSXFSC-VQIMIIECSA-N 0 1 376.932 3.010 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000091063689 1410069014 /nfs/dbraw/zinc/06/90/14/1410069014.db2.gz NRPHYLWJTSGETM-YJBOKZPZSA-N 0 1 376.932 3.458 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H](C)[C@@H]1CN(C)CCO1 ZINC000091063690 1410069056 /nfs/dbraw/zinc/06/90/56/1410069056.db2.gz NRPHYLWJTSGETM-QAPCUYQASA-N 0 1 376.932 3.458 20 0 GGADMN CC[C@@H](CSC)N(C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000091098348 1410070396 /nfs/dbraw/zinc/07/03/96/1410070396.db2.gz CRQDDOKGSKIUMY-INIZCTEOSA-N 0 1 377.554 3.371 20 0 GGADMN CCc1nn(C)cc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091200322 1410071018 /nfs/dbraw/zinc/07/10/18/1410071018.db2.gz QNXKMSIAPXSFMU-UHFFFAOYSA-N 0 1 375.904 3.422 20 0 GGADMN O=C(NCC1CC1)C1(NC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCCC1 ZINC000091686037 1410075476 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Cc1csc2nc(CN3CCC(OCc4ccc(F)cc4)CC3)cc(=O)n12 ZINC000091869302 1410089028 /nfs/dbraw/zinc/08/90/28/1410089028.db2.gz IGFOSOTWRCPRLL-UHFFFAOYSA-N 0 1 387.480 3.385 20 0 GGADMN COc1cccc(CNC(=O)CN2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000091888413 1410089957 /nfs/dbraw/zinc/08/99/57/1410089957.db2.gz LBHSHFFZEUEOIU-UHFFFAOYSA-N 0 1 386.467 3.132 20 0 GGADMN O=C(CCN1CCc2cc(F)ccc2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000091894371 1410091539 /nfs/dbraw/zinc/09/15/39/1410091539.db2.gz DGDSJZIFNYECJH-UHFFFAOYSA-N 0 1 383.467 3.049 20 0 GGADMN COCOc1ccc(OC)cc1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091949540 1410094081 /nfs/dbraw/zinc/09/40/81/1410094081.db2.gz KMEOINLULMRRLE-QGZVFWFLSA-N 0 1 390.524 3.148 20 0 GGADMN COc1cc(OC)c(OC)cc1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091949412 1410094439 /nfs/dbraw/zinc/09/44/39/1410094439.db2.gz HJVDSZQLMOLNRY-MRXNPFEDSA-N 0 1 390.524 3.183 20 0 GGADMN COc1cc(OC)c(OC)cc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091949413 1410094710 /nfs/dbraw/zinc/09/47/10/1410094710.db2.gz HJVDSZQLMOLNRY-INIZCTEOSA-N 0 1 390.524 3.183 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc4c3OCCCO4)C2)nc1 ZINC000092003751 1410097004 /nfs/dbraw/zinc/09/70/04/1410097004.db2.gz SGWALILYHZKKOE-SFHVURJKSA-N 0 1 381.476 3.402 20 0 GGADMN CN(C)c1ncc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000092031031 1410098905 /nfs/dbraw/zinc/09/89/05/1410098905.db2.gz IBTOVKXBTSNXQC-UHFFFAOYSA-N 0 1 377.489 3.134 20 0 GGADMN O=C(c1n[nH]cc1Br)N1CCC(OCc2ccccc2F)CC1 ZINC000092054682 1410102923 /nfs/dbraw/zinc/10/29/23/1410102923.db2.gz BGZFSAVWEOSBBZ-UHFFFAOYSA-N 0 1 382.233 3.133 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000092055976 1410103261 /nfs/dbraw/zinc/10/32/61/1410103261.db2.gz DCQDWRHHPXOBDZ-UHFFFAOYSA-N 0 1 380.423 3.432 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092072470 1410105672 /nfs/dbraw/zinc/10/56/72/1410105672.db2.gz OLRFBZKDRZNYER-UHFFFAOYSA-N 0 1 381.407 3.296 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl)c1cccc(F)c1 ZINC000176773279 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GGADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(N4CCCC4)c(F)c3)cc12 ZINC000102631891 1410679833 /nfs/dbraw/zinc/67/98/33/1410679833.db2.gz CADLODFPOBTLPO-UHFFFAOYSA-N 0 1 376.413 3.071 20 0 GGADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(C)c(OCC(F)F)c3)cc12 ZINC000102632227 1410680289 /nfs/dbraw/zinc/68/02/89/1410680289.db2.gz CGTMJQFTLVSFBZ-UHFFFAOYSA-N 0 1 383.376 3.284 20 0 GGADMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnc3onc(C)c3c2)c1C ZINC000102632016 1410680477 /nfs/dbraw/zinc/68/04/77/1410680477.db2.gz OQTPVRHAZVLKIV-UHFFFAOYSA-N 0 1 388.449 3.379 20 0 GGADMN Cc1cccc(-c2cccc(CNC(=O)CN(C)c3ncnc4[nH]cnc43)c2)c1 ZINC000102651093 1410687300 /nfs/dbraw/zinc/68/73/00/1410687300.db2.gz LBQUNYCZMSPZJI-UHFFFAOYSA-N 0 1 386.459 3.081 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1 ZINC000102677108 1410695325 /nfs/dbraw/zinc/69/53/25/1410695325.db2.gz SLTHNMKYYCOJSO-INIZCTEOSA-N 0 1 377.444 3.499 20 0 GGADMN Cc1cccc2nc(CN[C@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)n12 ZINC000102690987 1410700674 /nfs/dbraw/zinc/70/06/74/1410700674.db2.gz IVEUSBQOLRDSME-QFIPXVFZSA-N 0 1 379.460 3.261 20 0 GGADMN Cc1cccn2c(=O)cc(CN[C@H](c3ccc4c(c3)OCCO4)C(C)C)nc12 ZINC000102691326 1410700701 /nfs/dbraw/zinc/70/07/01/1410700701.db2.gz IMYUZGDXBTUMMD-NRFANRHFSA-N 0 1 379.460 3.261 20 0 GGADMN COc1ccc(CCNC(=O)CN[C@H](C)c2cc(C)ccc2OC)cc1OC ZINC000102691873 1410702540 /nfs/dbraw/zinc/70/25/40/1410702540.db2.gz YNBHCEAKSUQTPE-MRXNPFEDSA-N 0 1 386.492 3.030 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000102693627 1410702888 /nfs/dbraw/zinc/70/28/88/1410702888.db2.gz AQFHMOMLMRZUGM-HSZRJFAPSA-N 0 1 397.519 3.299 20 0 GGADMN CC(C)c1ccccc1NC(=O)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000102700569 1410703976 /nfs/dbraw/zinc/70/39/76/1410703976.db2.gz SVODAQIXMKWRQU-JOCHJYFZSA-N 0 1 381.520 3.412 20 0 GGADMN CSc1cccc(NC(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000102700667 1410704061 /nfs/dbraw/zinc/70/40/61/1410704061.db2.gz YFCRAWZIVXHLNK-FQEVSTJZSA-N 0 1 385.533 3.010 20 0 GGADMN O=C(CN[C@H](CN1CCOCC1)c1ccccc1)Nc1cccc2ccccc21 ZINC000102700517 1410704465 /nfs/dbraw/zinc/70/44/65/1410704465.db2.gz UJVZFWMVRVVZJZ-HSZRJFAPSA-N 0 1 389.499 3.441 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)cc1C ZINC000102701015 1410704656 /nfs/dbraw/zinc/70/46/56/1410704656.db2.gz YEFDLTSRNMWWQB-OFNKIYASSA-N 0 1 395.547 3.144 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000102701009 1410705153 /nfs/dbraw/zinc/70/51/53/1410705153.db2.gz RZWIGJOBQUQBRO-WMZHIEFXSA-N 0 1 395.547 3.089 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000102700447 1410705598 /nfs/dbraw/zinc/70/55/98/1410705598.db2.gz RSYFGXODWRTVQB-FQEVSTJZSA-N 0 1 387.911 3.250 20 0 GGADMN O=C(CN[C@@H](CN1CCOCC1)c1ccccc1)Nc1cc(Cl)ccc1F ZINC000102701013 1410705653 /nfs/dbraw/zinc/70/56/53/1410705653.db2.gz BUTHROQWCVBAGB-IBGZPJMESA-N 0 1 391.874 3.081 20 0 GGADMN CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000102718139 1410709304 /nfs/dbraw/zinc/70/93/04/1410709304.db2.gz XIEOHUXXRJRYKC-IRXDYDNUSA-N 0 1 393.553 3.015 20 0 GGADMN CC(C)CCN1Cc2cccc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2C1 ZINC000102734003 1410718279 /nfs/dbraw/zinc/71/82/79/1410718279.db2.gz JLMVRBHJOIDZJC-HDICACEKSA-N 0 1 397.519 3.162 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCOCC2)c(F)c1)c1cccc2c1N=S=N2 ZINC000102748173 1410722167 /nfs/dbraw/zinc/72/21/67/1410722167.db2.gz OUPHKTVTXZDAGE-UHFFFAOYSA-N 0 1 394.453 3.190 20 0 GGADMN CC[C@@H]1CCc2c(sc(=O)n2CN2CCN(CCc3ccccc3)CC2)C1 ZINC000102763993 1410735326 /nfs/dbraw/zinc/73/53/26/1410735326.db2.gz XKYKEWIAZSNVHB-GOSISDBHSA-N 0 1 385.577 3.243 20 0 GGADMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(C)(C)O)CC1 ZINC000102771079 1410739759 /nfs/dbraw/zinc/73/97/59/1410739759.db2.gz DKAHQUKBZDVJSY-ZDUSSCGKSA-N 0 1 398.429 3.205 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000102774772 1410740696 /nfs/dbraw/zinc/74/06/96/1410740696.db2.gz PZFOLXDMGLLENS-UHFFFAOYSA-N 0 1 382.508 3.355 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+](Cc1cccc2ccccc21)C1CCCC1)C(=O)N(C)C ZINC000102774627 1410741770 /nfs/dbraw/zinc/74/17/70/1410741770.db2.gz PWHUGWXFCNYNDK-QGZVFWFLSA-N 0 1 381.520 3.177 20 0 GGADMN COCCCN1Cc2cccc(N[C@@H](C)C(=O)NCc3ccccc3C)c2C1 ZINC000102779065 1410746876 /nfs/dbraw/zinc/74/68/76/1410746876.db2.gz HZCDBHYWOQFYCX-SFHVURJKSA-N 0 1 381.520 3.464 20 0 GGADMN COCCCN1Cc2cccc(N[C@@H](C(=O)NC3CC3)c3ccccc3)c2C1 ZINC000102779292 1410747025 /nfs/dbraw/zinc/74/70/25/1410747025.db2.gz PATNNLADGMKNJJ-JOCHJYFZSA-N 0 1 379.504 3.471 20 0 GGADMN COCCCN1Cc2cccc(N[C@H](C)C(=O)NC(=O)Nc3ccccc3)c2C1 ZINC000102779262 1410747755 /nfs/dbraw/zinc/74/77/55/1410747755.db2.gz RVGNHFXMOSKEBD-MRXNPFEDSA-N 0 1 396.491 3.187 20 0 GGADMN CC1CCN(Cc2cccc(CNC3=NS(=O)(=O)c4ccccc43)c2)CC1 ZINC000102781603 1410749771 /nfs/dbraw/zinc/74/97/71/1410749771.db2.gz DMXUAUYSKHOHFI-UHFFFAOYSA-N 0 1 383.517 3.157 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000102781294 1410751093 /nfs/dbraw/zinc/75/10/93/1410751093.db2.gz KJJUTPAMLLRYRN-LBPRGKRZSA-N 0 1 388.411 3.344 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N(Cc1ccccc1F)C1CC1 ZINC000102783254 1410753652 /nfs/dbraw/zinc/75/36/52/1410753652.db2.gz YBWSTPHTEPNJCB-UHFFFAOYSA-N 0 1 380.423 3.013 20 0 GGADMN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000102784198 1410754066 /nfs/dbraw/zinc/75/40/66/1410754066.db2.gz XPFYZVSCFIDFSC-CYBMUJFWSA-N 0 1 393.900 3.155 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000102783594 1410754241 /nfs/dbraw/zinc/75/42/41/1410754241.db2.gz PENKMKDFPGIQDD-OAQYLSRUSA-N 0 1 399.516 3.374 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H]1CCc2c1cccc2Cl ZINC000102784616 1410755085 /nfs/dbraw/zinc/75/50/85/1410755085.db2.gz MFGWYARRUANEEV-MRXNPFEDSA-N 0 1 382.851 3.140 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000102785880 1410755178 /nfs/dbraw/zinc/75/51/78/1410755178.db2.gz GFLRBKGUSFVMJL-UHFFFAOYSA-N 0 1 384.871 3.192 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@H]1CCc2c1cccc2Cl ZINC000102784617 1410756414 /nfs/dbraw/zinc/75/64/14/1410756414.db2.gz MFGWYARRUANEEV-INIZCTEOSA-N 0 1 382.851 3.140 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000102796934 1410764688 /nfs/dbraw/zinc/76/46/88/1410764688.db2.gz OWDYNNSQRQRWTM-KRWDZBQOSA-N 0 1 392.500 3.148 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccc(F)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000102799254 1410765295 /nfs/dbraw/zinc/76/52/95/1410765295.db2.gz YVYDAJSHBBTTCD-INIZCTEOSA-N 0 1 390.425 3.238 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102799308 1410765468 /nfs/dbraw/zinc/76/54/68/1410765468.db2.gz CDFYNYPBTDDOCH-RYUDHWBXSA-N 0 1 377.382 3.465 20 0 GGADMN CC(C)[C@H](CNC(=O)NCC(C)(C)c1ccccc1Cl)N1CCN(C)CC1 ZINC000102804822 1410768955 /nfs/dbraw/zinc/76/89/55/1410768955.db2.gz URPHJQSATJEOLV-IBGZPJMESA-N 0 1 394.991 3.189 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000102810655 1410773302 /nfs/dbraw/zinc/77/33/02/1410773302.db2.gz SNJUTIXMBDLRII-MRXNPFEDSA-N 0 1 397.372 3.202 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000102812539 1410775352 /nfs/dbraw/zinc/77/53/52/1410775352.db2.gz HWBMREBVJOBVBD-MRXNPFEDSA-N 0 1 389.858 3.198 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000102812158 1410775548 /nfs/dbraw/zinc/77/55/48/1410775548.db2.gz KJKABGGDHWWJRW-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000102812156 1410775673 /nfs/dbraw/zinc/77/56/73/1410775673.db2.gz KJKABGGDHWWJRW-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1Cl)c1ccco1 ZINC000102814416 1410778908 /nfs/dbraw/zinc/77/89/08/1410778908.db2.gz XEXYFSVRZPESPK-HNNXBMFYSA-N 0 1 381.835 3.210 20 0 GGADMN O=C1c2ccccc2C(=O)N1CCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000102829176 1410788786 /nfs/dbraw/zinc/78/87/86/1410788786.db2.gz SAJNTFJNMOQQBT-UHFFFAOYSA-N 0 1 379.445 3.035 20 0 GGADMN C[C@H](Sc1nc(-c2cccnc2)n[nH]1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000102829164 1410789178 /nfs/dbraw/zinc/78/91/78/1410789178.db2.gz XZVCMHUNHPOPIF-NSHDSACASA-N 0 1 391.464 3.231 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 ZINC000102829374 1410789408 /nfs/dbraw/zinc/78/94/08/1410789408.db2.gz VFIVNZBSAKZKQU-STQMWFEESA-N 0 1 383.477 3.233 20 0 GGADMN Cc1ccc(CN(C(=O)CSc2nc(-c3cccnc3)n[nH]2)C2CC2)cc1 ZINC000102829740 1410790369 /nfs/dbraw/zinc/79/03/69/1410790369.db2.gz IUYOVYQLOIADLS-UHFFFAOYSA-N 0 1 379.489 3.458 20 0 GGADMN C[C@H](OCCCNC(=O)CSc1nc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000102829686 1410790596 /nfs/dbraw/zinc/79/05/96/1410790596.db2.gz FOSZUZFNUVVHRM-HNNXBMFYSA-N 0 1 397.504 3.243 20 0 GGADMN Cc1cc(C)c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c(=O)[nH]1 ZINC000102839292 1410795823 /nfs/dbraw/zinc/79/58/23/1410795823.db2.gz FTOMSUUWHNNBGX-UHFFFAOYSA-N 0 1 396.491 3.059 20 0 GGADMN COc1ccc(CN(C(=O)CN2CC[C@H](Nc3ccccc3)C2)C2CC2)cc1 ZINC000102845283 1410797780 /nfs/dbraw/zinc/79/77/80/1410797780.db2.gz YWYBOHDDAAVKRQ-FQEVSTJZSA-N 0 1 379.504 3.373 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000102845169 1410797825 /nfs/dbraw/zinc/79/78/25/1410797825.db2.gz SNMWJIPOTHCDMI-GOSISDBHSA-N 0 1 389.446 3.433 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CC[C@H](Nc3ccccc3)C2)c1 ZINC000102845607 1410798454 /nfs/dbraw/zinc/79/84/54/1410798454.db2.gz NILOXKYRWOMEAE-SCTDSRPQSA-N 0 1 397.519 3.456 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000102845281 1410799193 /nfs/dbraw/zinc/79/91/93/1410799193.db2.gz FCNQDFQIOXSQMK-FQEVSTJZSA-N 0 1 397.519 3.239 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000102845681 1410800077 /nfs/dbraw/zinc/80/00/77/1410800077.db2.gz RCCDWLUYPMIXGU-XLIONFOSSA-N 0 1 392.503 3.327 20 0 GGADMN CCc1c(NC(=O)c2cnc(-c3ncccn3)s2)[nH]nc1-c1ccncc1 ZINC000102869081 1410802872 /nfs/dbraw/zinc/80/28/72/1410802872.db2.gz SZRNJLJAWZYBEO-UHFFFAOYSA-N 0 1 377.433 3.200 20 0 GGADMN CCc1c(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)[nH]nc1-c1ccncc1 ZINC000102869085 1410802934 /nfs/dbraw/zinc/80/29/34/1410802934.db2.gz ZKRIRIHGPIDLRP-CQSZACIVSA-N 0 1 383.496 3.448 20 0 GGADMN CCc1c(NC(=O)Cc2csc(-c3cnccn3)n2)[nH]nc1-c1ccncc1 ZINC000102869374 1410803012 /nfs/dbraw/zinc/80/30/12/1410803012.db2.gz WMGYEEJXDQATDJ-UHFFFAOYSA-N 0 1 391.460 3.129 20 0 GGADMN CCc1c(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)[nH]nc1-c1ccncc1 ZINC000102869355 1410803024 /nfs/dbraw/zinc/80/30/24/1410803024.db2.gz SIBSROWALAACRX-CQSZACIVSA-N 0 1 383.496 3.448 20 0 GGADMN CCc1c(NC(=O)[C@H]2CCCN(C(=O)[C@@H](C)CC)C2)[nH]nc1-c1ccncc1 ZINC000102869322 1410803030 /nfs/dbraw/zinc/80/30/30/1410803030.db2.gz HECSHXWMACPPGV-HOCLYGCPSA-N 0 1 383.496 3.257 20 0 GGADMN CCc1c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)CC)C2)[nH]nc1-c1ccncc1 ZINC000102869321 1410803065 /nfs/dbraw/zinc/80/30/65/1410803065.db2.gz HECSHXWMACPPGV-GOEBONIOSA-N 0 1 383.496 3.257 20 0 GGADMN COC(=O)C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)c1ccc(SC)cc1 ZINC000102880083 1410803486 /nfs/dbraw/zinc/80/34/86/1410803486.db2.gz RXPLDKPNZQHWNM-QGZVFWFLSA-N 0 1 383.473 3.248 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000102892778 1410804692 /nfs/dbraw/zinc/80/46/92/1410804692.db2.gz BJXDGZDZWKJPIF-CABCVRRESA-N 0 1 394.475 3.346 20 0 GGADMN CCCOc1ccc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)c(C)c1 ZINC000102895752 1410804845 /nfs/dbraw/zinc/80/48/45/1410804845.db2.gz RLZKNQLCSKWKJT-AWEZNQCLSA-N 0 1 380.448 3.417 20 0 GGADMN CCCCOc1ccccc1NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000102895760 1410804860 /nfs/dbraw/zinc/80/48/60/1410804860.db2.gz HDTGWAJGALYYKF-AWEZNQCLSA-N 0 1 380.448 3.499 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000102896684 1410804865 /nfs/dbraw/zinc/80/48/65/1410804865.db2.gz OZBOSJJTJCDTQW-OAHLLOKOSA-N 0 1 398.507 3.022 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000102894687 1410804877 /nfs/dbraw/zinc/80/48/77/1410804877.db2.gz NXDNWOPMDVAHFI-HUUCEWRRSA-N 0 1 394.475 3.346 20 0 GGADMN CCCCOc1ccccc1NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000102895756 1410804884 /nfs/dbraw/zinc/80/48/84/1410804884.db2.gz HDTGWAJGALYYKF-CQSZACIVSA-N 0 1 380.448 3.499 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000102895951 1410804926 /nfs/dbraw/zinc/80/49/26/1410804926.db2.gz JWSMZMCERZLCSF-HNNXBMFYSA-N 0 1 391.475 3.310 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CC[C@@H](Nc2ccccc2)C1 ZINC000102898688 1410805183 /nfs/dbraw/zinc/80/51/83/1410805183.db2.gz LEVJBEUEOMKIPS-MRXNPFEDSA-N 0 1 394.500 3.162 20 0 GGADMN Fc1ccc(-n2cc(CN[C@@H](CN3CCOCC3)c3ccccc3)cn2)cc1 ZINC000102938208 1410810001 /nfs/dbraw/zinc/81/00/01/1410810001.db2.gz KXVPPBQXLJMMOI-QFIPXVFZSA-N 0 1 380.467 3.175 20 0 GGADMN O=C1CCCN1Cc1ccc(CNCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000102938838 1410810291 /nfs/dbraw/zinc/81/02/91/1410810291.db2.gz OXZMFXBUSNBCMQ-UHFFFAOYSA-N 0 1 378.451 3.424 20 0 GGADMN Cn1c(=O)oc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)ccc21 ZINC000102956532 1410812113 /nfs/dbraw/zinc/81/21/13/1410812113.db2.gz GDZIEQXRCSVTFQ-MRXNPFEDSA-N 0 1 384.436 3.073 20 0 GGADMN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176896565 1428514841 /nfs/dbraw/zinc/51/48/41/1428514841.db2.gz ZLMRAVXBZCLNPY-LJQANCHMSA-N 0 1 382.508 3.235 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000103005590 1410819280 /nfs/dbraw/zinc/81/92/80/1410819280.db2.gz VGUVGQVFWPAYFD-UHFFFAOYSA-N 0 1 397.544 3.498 20 0 GGADMN Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cc12 ZINC000103058146 1410823165 /nfs/dbraw/zinc/82/31/65/1410823165.db2.gz DNEAXDVHCJNEDA-UHFFFAOYSA-N 0 1 388.346 3.235 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ncccc1OCC(F)F ZINC000103072603 1410824959 /nfs/dbraw/zinc/82/49/59/1410824959.db2.gz NYAISGVCIYDMLW-UHFFFAOYSA-N 0 1 393.409 3.259 20 0 GGADMN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000103073712 1410825418 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GGADMN COc1ccc([C@H](C)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000105727756 1411113682 /nfs/dbraw/zinc/11/36/82/1411113682.db2.gz PJIVNMXGRVMOKN-KRWDZBQOSA-N 0 1 385.483 3.176 20 0 GGADMN Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)c2cccnc12 ZINC000105767157 1411123673 /nfs/dbraw/zinc/12/36/73/1411123673.db2.gz VXCGEZHCRQBGIL-UHFFFAOYSA-N 0 1 383.517 3.296 20 0 GGADMN Cc1cc(C(=O)N2CCN(C(C)C)CC2)c2cnn(Cc3cccs3)c2n1 ZINC000105893021 1411128972 /nfs/dbraw/zinc/12/89/72/1411128972.db2.gz XUSPIWRMQSGWTN-UHFFFAOYSA-N 0 1 383.521 3.016 20 0 GGADMN O=C(NCCCn1cc(Br)cn1)c1ccc(CN2CCCCC2)o1 ZINC000105936855 1411130623 /nfs/dbraw/zinc/13/06/23/1411130623.db2.gz VIKRJFYEVBXWCF-UHFFFAOYSA-N 0 1 395.301 3.045 20 0 GGADMN NC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)nc1 ZINC000105985960 1411141215 /nfs/dbraw/zinc/14/12/15/1411141215.db2.gz PWRYOUAJKMQTOG-UHFFFAOYSA-N 0 1 375.363 3.115 20 0 GGADMN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000106008821 1411147520 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/nfs/dbraw/zinc/44/22/36/1412442236.db2.gz VVNPHDITWDZYFH-UHFFFAOYSA-N 0 1 376.478 3.370 20 0 GGADMN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(CC)CC(C)(C)O ZINC000114487562 1412442626 /nfs/dbraw/zinc/44/26/26/1412442626.db2.gz YSZJXZWJIYZXER-UHFFFAOYSA-N 0 1 394.493 3.216 20 0 GGADMN CN(CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCc2ccccc2C1 ZINC000114488996 1412442972 /nfs/dbraw/zinc/44/29/72/1412442972.db2.gz WFGFDILBORZZSE-LJQANCHMSA-N 0 1 377.488 3.241 20 0 GGADMN CC[C@H]1c2ccccc2CCN1CC(=O)NCc1ccc(NC(=O)OC)cc1 ZINC000114493143 1412445508 /nfs/dbraw/zinc/44/55/08/1412445508.db2.gz WPCUIQRFUIJJAP-FQEVSTJZSA-N 0 1 381.476 3.491 20 0 GGADMN CC[C@@H]1c2ccccc2CCN1CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 ZINC000114492749 1412445891 /nfs/dbraw/zinc/44/58/91/1412445891.db2.gz FJOZRKSIUZGVJO-JOCHJYFZSA-N 0 1 399.579 3.397 20 0 GGADMN O=C(NCCc1cccnc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114517636 1412449965 /nfs/dbraw/zinc/44/99/65/1412449965.db2.gz KIVOPBLSIDDTAJ-SFHVURJKSA-N 0 1 392.425 3.217 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)[C@H](C)C1(C)CC1 ZINC000177251094 1428652228 /nfs/dbraw/zinc/65/22/28/1428652228.db2.gz BRILCGHMAXFLLR-OAHLLOKOSA-N 0 1 392.569 3.317 20 0 GGADMN CCOc1cc(CNC(=O)NC[C@H](c2cccs2)N(C)C)ccc1OC ZINC000114531727 1412454159 /nfs/dbraw/zinc/45/41/59/1412454159.db2.gz WYSXBOHSCTVDFM-OAHLLOKOSA-N 0 1 377.510 3.258 20 0 GGADMN COc1cc(OC)cc(OCCCNC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000177251215 1428652452 /nfs/dbraw/zinc/65/24/52/1428652452.db2.gz KMAZQTLZRDVCLQ-UHFFFAOYSA-N 0 1 397.475 3.406 20 0 GGADMN Cc1[nH]c(SCC(=O)NC[C@@](C)(O)c2ccccc2)nc1Cc1ccccc1 ZINC000114546801 1412457416 /nfs/dbraw/zinc/45/74/16/1412457416.db2.gz MNBVOLCPYRBSNI-JOCHJYFZSA-N 0 1 395.528 3.425 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3cccc4ccc(C)nc43)CC2)c1 ZINC000114579906 1412465641 /nfs/dbraw/zinc/46/56/41/1412465641.db2.gz WTSNRWCLKPPDOJ-UHFFFAOYSA-N 0 1 377.448 3.301 20 0 GGADMN O=C(NCc1ccncc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114581298 1412466798 /nfs/dbraw/zinc/46/67/98/1412466798.db2.gz JXVXZKWGXSYAEW-QGZVFWFLSA-N 0 1 378.398 3.174 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@](C)(O)c1ccccc1)N1CCCC1 ZINC000114583239 1412466816 /nfs/dbraw/zinc/46/68/16/1412466816.db2.gz IBHWQPQLKQLQMG-OFNKIYASSA-N 0 1 397.519 3.039 20 0 GGADMN O=C(NCc1ccncc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114581296 1412466881 /nfs/dbraw/zinc/46/68/81/1412466881.db2.gz JXVXZKWGXSYAEW-KRWDZBQOSA-N 0 1 378.398 3.174 20 0 GGADMN CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000114585276 1412468117 /nfs/dbraw/zinc/46/81/17/1412468117.db2.gz HSLSQYFPIMNIAU-OAQYLSRUSA-N 0 1 393.535 3.052 20 0 GGADMN O=C(NC[C@@H]1CCCCO1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114591905 1412469713 /nfs/dbraw/zinc/46/97/13/1412469713.db2.gz GRLARCPODUTCBD-IRXDYDNUSA-N 0 1 385.430 3.148 20 0 GGADMN CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604296 1412473180 /nfs/dbraw/zinc/47/31/80/1412473180.db2.gz SNAOCMZZIAMLDI-FUHWJXTLSA-N 0 1 399.457 3.348 20 0 GGADMN CN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604149 1412473204 /nfs/dbraw/zinc/47/32/04/1412473204.db2.gz OITSADUCIMWGPK-ROUUACIJSA-N 0 1 399.457 3.490 20 0 GGADMN COCC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114604202 1412473341 /nfs/dbraw/zinc/47/33/41/1412473341.db2.gz HPFSLTTYSDNSCC-SFHVURJKSA-N 0 1 399.457 3.348 20 0 GGADMN CN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604147 1412473509 /nfs/dbraw/zinc/47/35/09/1412473509.db2.gz OITSADUCIMWGPK-QZTJIDSGSA-N 0 1 399.457 3.490 20 0 GGADMN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000114692018 1412499426 /nfs/dbraw/zinc/49/94/26/1412499426.db2.gz RQDDTGDSESDSHH-UHFFFAOYSA-N 0 1 388.349 3.110 20 0 GGADMN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1c[nH]c2ccccc2c1=O ZINC000114695522 1412501754 /nfs/dbraw/zinc/50/17/54/1412501754.db2.gz OTTVZBNKBSLUAK-UHFFFAOYSA-N 0 1 394.818 3.204 20 0 GGADMN Cc1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000114707022 1412506591 /nfs/dbraw/zinc/50/65/91/1412506591.db2.gz WZLRFHFNZULDIE-MRXNPFEDSA-N 0 1 382.489 3.416 20 0 GGADMN CN(CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)CC(C)(C)O ZINC000114727899 1412512666 /nfs/dbraw/zinc/51/26/66/1412512666.db2.gz QGELBKLDBUAMGL-LJQANCHMSA-N 0 1 379.504 3.119 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1OC(F)F ZINC000114742540 1412515497 /nfs/dbraw/zinc/51/54/97/1412515497.db2.gz VGQCLIANWPIJTI-MRXNPFEDSA-N 0 1 396.459 3.231 20 0 GGADMN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000114749069 1412517736 /nfs/dbraw/zinc/51/77/36/1412517736.db2.gz ZXRVXBCUZVPPSV-KBXCAEBGSA-N 0 1 393.409 3.474 20 0 GGADMN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000114749075 1412518128 /nfs/dbraw/zinc/51/81/28/1412518128.db2.gz ZXRVXBCUZVPPSV-KSSFIOAISA-N 0 1 393.409 3.474 20 0 GGADMN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)c1 ZINC000114750744 1412518622 /nfs/dbraw/zinc/51/86/22/1412518622.db2.gz ICHNYSRIOBGHHO-HZPDHXFCSA-N 0 1 384.476 3.227 20 0 GGADMN CCOc1cccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)c1 ZINC000114750746 1412518702 /nfs/dbraw/zinc/51/87/02/1412518702.db2.gz ICHNYSRIOBGHHO-JKSUJKDBSA-N 0 1 384.476 3.227 20 0 GGADMN COc1ccc(CNCc2ccc(N3CCO[C@@H](C)C3)nc2)c(OC(F)F)c1 ZINC000114758755 1412521103 /nfs/dbraw/zinc/52/11/03/1412521103.db2.gz UASVGHBQBACOAS-AWEZNQCLSA-N 0 1 393.434 3.207 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853334 1428659920 /nfs/dbraw/zinc/65/99/20/1428659920.db2.gz NMCOGPWXLPGKAC-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853334 1428659921 /nfs/dbraw/zinc/65/99/21/1428659921.db2.gz NMCOGPWXLPGKAC-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001139853334 1428659924 /nfs/dbraw/zinc/65/99/24/1428659924.db2.gz NMCOGPWXLPGKAC-KRWDZBQOSA-N 0 1 386.500 3.088 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN[C@@H]3CCN(C(C)C)C3=O)c2)cc1 ZINC000114776131 1412521743 /nfs/dbraw/zinc/52/17/43/1412521743.db2.gz SHFZCJMUBXSXSA-HXUWFJFHSA-N 0 1 381.476 3.046 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114843325 1412539016 /nfs/dbraw/zinc/53/90/16/1412539016.db2.gz UZQZWKPWCKDAFX-IBGZPJMESA-N 0 1 395.503 3.113 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000114843019 1412539075 /nfs/dbraw/zinc/53/90/75/1412539075.db2.gz GBAVYDHSIIGDTA-SFHVURJKSA-N 0 1 383.517 3.128 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000114843021 1412539095 /nfs/dbraw/zinc/53/90/95/1412539095.db2.gz GBAVYDHSIIGDTA-GOSISDBHSA-N 0 1 383.517 3.128 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114843002 1412539174 /nfs/dbraw/zinc/53/91/74/1412539174.db2.gz OPRGWAHZCCWHQW-LJQANCHMSA-N 0 1 395.503 3.195 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000114843223 1412539485 /nfs/dbraw/zinc/53/94/85/1412539485.db2.gz REDCZCGVJASQDD-HXUWFJFHSA-N 0 1 397.544 3.269 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccc[nH]2)N(C)C)cc1OC ZINC000114911698 1412546777 /nfs/dbraw/zinc/54/67/77/1412546777.db2.gz KOTARTDCMBBJEW-ZWKOTPCHSA-N 0 1 386.496 3.181 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)N2CCCC2)c1 ZINC000114914164 1412546834 /nfs/dbraw/zinc/54/68/34/1412546834.db2.gz VZRYHTKQVIHFFM-NQIIRXRSSA-N 0 1 397.523 3.144 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC(C(=O)OC)CC1)c1ccccc1Cl ZINC000114913112 1412547049 /nfs/dbraw/zinc/54/70/49/1412547049.db2.gz CXJVEBSLEVCWDE-SFHVURJKSA-N 0 1 395.931 3.318 20 0 GGADMN O=C(Nc1ccccc1)NC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177264663 1428661047 /nfs/dbraw/zinc/66/10/47/1428661047.db2.gz BCJCRDXNKJBGMO-UHFFFAOYSA-N 0 1 376.464 3.053 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)C[C@@H]3OCCc4ccccc43)c2)CC1 ZINC000115043010 1412576529 /nfs/dbraw/zinc/57/65/29/1412576529.db2.gz YMEBVJQXXNYBNN-QFIPXVFZSA-N 0 1 379.504 3.077 20 0 GGADMN Cc1sc(=O)n(CCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C ZINC000115043953 1412576925 /nfs/dbraw/zinc/57/69/25/1412576925.db2.gz SUSPTSFYNUIBRZ-MRXNPFEDSA-N 0 1 386.477 3.283 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000115076956 1412585088 /nfs/dbraw/zinc/58/50/88/1412585088.db2.gz MOMQGLLGBQUKKO-SFHVURJKSA-N 0 1 395.532 3.246 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177267322 1428662244 /nfs/dbraw/zinc/66/22/44/1428662244.db2.gz HBXDPXLJKQHLJE-HNAYVOBHSA-N 0 1 381.467 3.026 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177267335 1428662524 /nfs/dbraw/zinc/66/25/24/1428662524.db2.gz HBXDPXLJKQHLJE-BEFAXECRSA-N 0 1 381.467 3.026 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NC4CCOCC4)cc3)[nH]n2)o1 ZINC000177266971 1428662628 /nfs/dbraw/zinc/66/26/28/1428662628.db2.gz QKFDLFJNTGRIST-UHFFFAOYSA-N 0 1 394.431 3.139 20 0 GGADMN CCOC(=O)C[C@@H](C)SCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000115197591 1412605570 /nfs/dbraw/zinc/60/55/70/1412605570.db2.gz XPGCCUWFYZNEER-GOSISDBHSA-N 0 1 392.565 3.104 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N(CCC(F)(F)F)CC1CC1 ZINC000177268296 1428663252 /nfs/dbraw/zinc/66/32/52/1428663252.db2.gz ZUMIZVLNNMEQFX-UHFFFAOYSA-N 0 1 384.446 3.420 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)N1CCCCCC1 ZINC000115231757 1412614793 /nfs/dbraw/zinc/61/47/93/1412614793.db2.gz LSQHJOPIEUENTP-AWEZNQCLSA-N 0 1 381.904 3.010 20 0 GGADMN CCN(Cc1ccccn1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000177270506 1428664423 /nfs/dbraw/zinc/66/44/23/1428664423.db2.gz ZRUVENPMHPOIJN-OALUTQOASA-N 0 1 396.535 3.423 20 0 GGADMN CCC[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000177271203 1428664701 /nfs/dbraw/zinc/66/47/01/1428664701.db2.gz HTDFLBHEBHLJIK-HNAYVOBHSA-N 0 1 381.467 3.170 20 0 GGADMN O=C(OCc1ccccn1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000115293093 1412638843 /nfs/dbraw/zinc/63/88/43/1412638843.db2.gz SJHMZBRUIHDLHJ-UHFFFAOYSA-N 0 1 386.404 3.379 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3OCC(C)C)cc21 ZINC000115312113 1412643866 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WAXFBLGLIOAJPD-UHFFFAOYSA-N 0 1 385.493 3.464 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000115454853 1412681172 /nfs/dbraw/zinc/68/11/72/1412681172.db2.gz GYDGRFKVWOQIOY-XJKSGUPXSA-N 0 1 379.485 3.240 20 0 GGADMN CN(C)C(=O)COc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1Cl ZINC000115473390 1412684385 /nfs/dbraw/zinc/68/43/85/1412684385.db2.gz RLZNTRGUCDJASV-UHFFFAOYSA-N 0 1 398.850 3.449 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000115478228 1412686811 /nfs/dbraw/zinc/68/68/11/1412686811.db2.gz CRXROTNORLYDMJ-INIZCTEOSA-N 0 1 385.512 3.045 20 0 GGADMN CC(=O)c1cccc(OCC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1 ZINC000115486482 1412689714 /nfs/dbraw/zinc/68/97/14/1412689714.db2.gz GJWNOLZCYFKJIL-UHFFFAOYSA-N 0 1 380.488 3.311 20 0 GGADMN COCCCN(CCc1ccc(OC)cc1)Cn1cc(Br)cn1 ZINC000115513544 1412699219 /nfs/dbraw/zinc/69/92/19/1412699219.db2.gz DXOCKWNNDDQKKD-UHFFFAOYSA-N 0 1 382.302 3.193 20 0 GGADMN 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GGADMN Cc1ccc(CN(C)C)cc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000177317736 1428685877 /nfs/dbraw/zinc/68/58/77/1428685877.db2.gz OYJVPYDGLDWRHF-UHFFFAOYSA-N 0 1 394.450 3.302 20 0 GGADMN CCOc1c(Br)cc(C(=O)Nc2nc(C(C)C)n[nH]2)cc1OC ZINC000116306707 1412848576 /nfs/dbraw/zinc/84/85/76/1412848576.db2.gz XOEZPWWYUIQZFB-UHFFFAOYSA-N 0 1 383.246 3.350 20 0 GGADMN CCOc1c(Br)cc(C(=O)Nc2n[nH]c(C(C)C)n2)cc1OC ZINC000116306707 1412848577 /nfs/dbraw/zinc/84/85/77/1412848577.db2.gz XOEZPWWYUIQZFB-UHFFFAOYSA-N 0 1 383.246 3.350 20 0 GGADMN CC(C)(C)[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000116308428 1412848812 /nfs/dbraw/zinc/84/88/12/1412848812.db2.gz NHFILWPBLDOYBU-OAHLLOKOSA-N 0 1 377.554 3.351 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000116326326 1412849729 /nfs/dbraw/zinc/84/97/29/1412849729.db2.gz UALUGDMLEZPKMZ-UHFFFAOYSA-N 0 1 390.487 3.127 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000116326161 1412849895 /nfs/dbraw/zinc/84/98/95/1412849895.db2.gz JXRUKZHFYCMIAX-UHFFFAOYSA-N 0 1 391.515 3.134 20 0 GGADMN Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000116326635 1412849959 /nfs/dbraw/zinc/84/99/59/1412849959.db2.gz HUIBEFZFDMASHI-UHFFFAOYSA-N 0 1 395.503 3.099 20 0 GGADMN CCc1nn(C)c(Cl)c1CNC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000116333664 1412850604 /nfs/dbraw/zinc/85/06/04/1412850604.db2.gz AXXQTBNSJLJVJQ-GOSISDBHSA-N 0 1 397.350 3.452 20 0 GGADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000116358506 1412852562 /nfs/dbraw/zinc/85/25/62/1412852562.db2.gz JUUZUAIZYWNHFK-AWEZNQCLSA-N 0 1 379.913 3.239 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C)o2)c(C)c1 ZINC000116402999 1412855473 /nfs/dbraw/zinc/85/54/73/1412855473.db2.gz XWPKVIQPLGIMRE-UHFFFAOYSA-N 0 1 380.510 3.048 20 0 GGADMN CN(C[C@H](O)c1ccccc1F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116403248 1412855488 /nfs/dbraw/zinc/85/54/88/1412855488.db2.gz UMMOZUAHJAKJNS-GUYCJALGSA-N 0 1 387.373 3.250 20 0 GGADMN CCc1ncc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)s1 ZINC000116436946 1412859931 /nfs/dbraw/zinc/85/99/31/1412859931.db2.gz YDFQANONOUWKSJ-CQSZACIVSA-N 0 1 390.528 3.478 20 0 GGADMN C[NH+](C)CC[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)(C)C ZINC000116438857 1412860718 /nfs/dbraw/zinc/86/07/18/1412860718.db2.gz UYMADIRSSWMMCC-LJQANCHMSA-N 0 1 389.540 3.363 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000116440891 1412861197 /nfs/dbraw/zinc/86/11/97/1412861197.db2.gz VNYYPGYOXAAPEG-VXGBXAGGSA-N 0 1 381.400 3.206 20 0 GGADMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2nnc3ccccc3c2O)c1 ZINC000116452990 1412862409 /nfs/dbraw/zinc/86/24/09/1412862409.db2.gz JIJWZISPBOCKSN-MHZLTWQESA-N 0 1 383.473 3.223 20 0 GGADMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000116505575 1412869947 /nfs/dbraw/zinc/86/99/47/1412869947.db2.gz MJOPCRQIYGTTMU-SANMLTNESA-N 0 1 377.554 3.293 20 0 GGADMN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000116505572 1412869976 /nfs/dbraw/zinc/86/99/76/1412869976.db2.gz MJOPCRQIYGTTMU-AREMUKBSSA-N 0 1 377.554 3.293 20 0 GGADMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000116505662 1412869981 /nfs/dbraw/zinc/86/99/81/1412869981.db2.gz DIRLVIUUWBZZSB-DWXRJYCRSA-N 0 1 377.554 3.436 20 0 GGADMN CCc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n(C)n1 ZINC000116512086 1412870673 /nfs/dbraw/zinc/87/06/73/1412870673.db2.gz QSZXDRYNPNQTCD-MRXNPFEDSA-N 0 1 395.429 3.397 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCc3ccccc3CC2)N(C)C)cc1OC ZINC000116521364 1412871670 /nfs/dbraw/zinc/87/16/70/1412871670.db2.gz UXNQZYBQKKSSAU-FQEVSTJZSA-N 0 1 397.519 3.117 20 0 GGADMN CCC(CC)[C@H](CNC(=O)NC(C)(C)c1nc(C)cs1)N1CCOCC1 ZINC000116526543 1412872283 /nfs/dbraw/zinc/87/22/83/1412872283.db2.gz WILCPEWFVLTJKI-INIZCTEOSA-N 0 1 382.574 3.123 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N3CCC[C@@H](C(C)(C)C)CC3)ccn2)CC1 ZINC000116528136 1412872345 /nfs/dbraw/zinc/87/23/45/1412872345.db2.gz VMSRMRPAKIQMNJ-LJQANCHMSA-N 0 1 387.572 3.191 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)NC(C)(C)c1nc(C)cs1)N1CCOCC1 ZINC000116526541 1412872388 /nfs/dbraw/zinc/87/23/88/1412872388.db2.gz WILCPEWFVLTJKI-MRXNPFEDSA-N 0 1 382.574 3.123 20 0 GGADMN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(CN2CCSCC2)cc1 ZINC000116531749 1412873152 /nfs/dbraw/zinc/87/31/52/1412873152.db2.gz OIZYPRJOKRQZLD-HXUWFJFHSA-N 0 1 395.572 3.492 20 0 GGADMN COc1ccc([C@H](CNC(=O)Cc2c(C)noc2Cl)N2CCCC2)cc1 ZINC000116535792 1412873887 /nfs/dbraw/zinc/87/38/87/1412873887.db2.gz BPUYMJNJLORFEZ-KRWDZBQOSA-N 0 1 377.872 3.141 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1)c1ccco1 ZINC000116538808 1412874219 /nfs/dbraw/zinc/87/42/19/1412874219.db2.gz DIKHDJOZVGLREC-RCCFBDPRSA-N 0 1 392.544 3.045 20 0 GGADMN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(CN2CCSCC2)cc1 ZINC000116572372 1412879051 /nfs/dbraw/zinc/87/90/51/1412879051.db2.gz HSRYNDPDZZBYFQ-UHFFFAOYSA-N 0 1 382.533 3.483 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(Cn3cccn3)cc2)N2CCCC2)o1 ZINC000116593049 1412884885 /nfs/dbraw/zinc/88/48/85/1412884885.db2.gz ORIUXFXGLQLFND-FQEVSTJZSA-N 0 1 378.476 3.400 20 0 GGADMN COc1ccc(-n2ccc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)n2)cc1 ZINC000116592785 1412884955 /nfs/dbraw/zinc/88/49/55/1412884955.db2.gz ZQMYUOUXEAHWSG-FQEVSTJZSA-N 0 1 394.475 3.349 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)cc1 ZINC000116593481 1412885011 /nfs/dbraw/zinc/88/50/11/1412885011.db2.gz SJECDUALWWTCKA-NHCUHLMSSA-N 0 1 397.519 3.417 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cccc(-n3cccn3)c2)N2CCCC2)cc1 ZINC000116619189 1412887576 /nfs/dbraw/zinc/88/75/76/1412887576.db2.gz BGXMAXDEJDUSKB-QFIPXVFZSA-N 0 1 390.487 3.448 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(-n2cccn2)c1 ZINC000116619644 1412887629 /nfs/dbraw/zinc/88/76/29/1412887629.db2.gz QNEGBAHEANZDTO-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cccc(-n2cccn2)c1)N1CCCC1 ZINC000116716411 1412903234 /nfs/dbraw/zinc/90/32/34/1412903234.db2.gz RHIBCFMVTBJTHD-NRFANRHFSA-N 0 1 390.487 3.448 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000116724047 1412905506 /nfs/dbraw/zinc/90/55/06/1412905506.db2.gz IXISCYGZUIQLAC-UHFFFAOYSA-N 0 1 378.520 3.338 20 0 GGADMN COc1cccc(CN(CC(=O)N(C)c2ccccc2)C2CCC(O)CC2)c1 ZINC000116760085 1412917662 /nfs/dbraw/zinc/91/76/62/1412917662.db2.gz MVVKFUUHPYCZHD-UHFFFAOYSA-N 0 1 382.504 3.464 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(N2CCCC2)nn1 ZINC000116763013 1412919341 /nfs/dbraw/zinc/91/93/41/1412919341.db2.gz NLAREPDKKHAYNM-UHFFFAOYSA-N 0 1 397.548 3.186 20 0 GGADMN CCOCCN1CCN(C(=O)CCc2nc3ccccc3s2)C[C@H]1CC ZINC000116771751 1412921026 /nfs/dbraw/zinc/92/10/26/1412921026.db2.gz PNYCPXFMKMDFHI-MRXNPFEDSA-N 0 1 375.538 3.188 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCC[C@H]1c1cccc(F)c1 ZINC000116774527 1412922140 /nfs/dbraw/zinc/92/21/40/1412922140.db2.gz YXTYFKSFPHSWRO-SFHVURJKSA-N 0 1 380.423 3.186 20 0 GGADMN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1c[nH]c2ccccc2c1=O ZINC000116828687 1412934810 /nfs/dbraw/zinc/93/48/10/1412934810.db2.gz AWPWMANWJFRERM-ZDUSSCGKSA-N 0 1 399.397 3.138 20 0 GGADMN COCCOC1CCN(CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000116884769 1412949621 /nfs/dbraw/zinc/94/96/21/1412949621.db2.gz XPQJZDRDXFCFDC-GOSISDBHSA-N 0 1 376.541 3.190 20 0 GGADMN COCCOC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000116884793 1412949711 /nfs/dbraw/zinc/94/97/11/1412949711.db2.gz LPNWKHJOHZGUPG-UHFFFAOYSA-N 0 1 396.531 3.362 20 0 GGADMN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000116909170 1412954118 /nfs/dbraw/zinc/95/41/18/1412954118.db2.gz GZHNMBHNNUDVIR-UHFFFAOYSA-N 0 1 399.378 3.272 20 0 GGADMN Cc1ccc(F)c(CNCc2cccc(NC(=O)CCN3CCOCC3)c2)c1 ZINC000116914208 1412955334 /nfs/dbraw/zinc/95/53/34/1412955334.db2.gz KBYFNYTWZUOCKX-UHFFFAOYSA-N 0 1 385.483 3.085 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CNCC[S@@](=O)C(C)(C)C)c1 ZINC000116921124 1412956481 /nfs/dbraw/zinc/95/64/81/1412956481.db2.gz ASNZEKGXRHFJGC-SANMLTNESA-N 0 1 376.522 3.306 20 0 GGADMN CC1CCN([C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)c2cccs2)CC1 ZINC000116933236 1412957968 /nfs/dbraw/zinc/95/79/68/1412957968.db2.gz XECMUSNCFSETHU-YHAMSUFESA-N 0 1 399.626 3.368 20 0 GGADMN CC1CCN([C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)c2cccs2)CC1 ZINC000116933238 1412958232 /nfs/dbraw/zinc/95/82/32/1412958232.db2.gz XECMUSNCFSETHU-AKJBCIBTSA-N 0 1 399.626 3.368 20 0 GGADMN Cc1ccc([C@@H]2COCCN2C(=O)NC[C@@H](C)N2CCc3ccccc3C2)o1 ZINC000116937805 1412959167 /nfs/dbraw/zinc/95/91/67/1412959167.db2.gz LPBHVWBKMHTDSV-UZLBHIALSA-N 0 1 383.492 3.118 20 0 GGADMN O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000116965102 1412967729 /nfs/dbraw/zinc/96/77/29/1412967729.db2.gz XLAHABCVLXEMND-PIKZIKFNSA-N 0 1 399.560 3.072 20 0 GGADMN O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000116964726 1412967985 /nfs/dbraw/zinc/96/79/85/1412967985.db2.gz SGIBROOJJLSYPA-KMRXNPHXSA-N 0 1 399.560 3.072 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1CCCC(C)(C)CC1 ZINC000735570561 1428690908 /nfs/dbraw/zinc/69/09/08/1428690908.db2.gz NRUCQVZXTYHMOJ-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CN2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000116994168 1412974439 /nfs/dbraw/zinc/97/44/39/1412974439.db2.gz PBSCPGWSVDJSIM-FQEVSTJZSA-N 0 1 383.488 3.481 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCOC[C@@H]1c1ccc(C)o1)c1ccco1 ZINC000117039991 1412985209 /nfs/dbraw/zinc/98/52/09/1412985209.db2.gz XDKDRHVZVOVNAJ-IAGOWNOFSA-N 0 1 375.469 3.347 20 0 GGADMN CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000117081948 1412996063 /nfs/dbraw/zinc/99/60/63/1412996063.db2.gz ABXYKTILSCUDEV-UHFFFAOYSA-N 0 1 384.904 3.274 20 0 GGADMN Cc1ccc(C(=O)OCc2ccc3[nH]nnc3c2)cc1NC(=O)c1ccco1 ZINC000117087523 1412996907 /nfs/dbraw/zinc/99/69/07/1412996907.db2.gz VXAZHYYXWWNDGD-UHFFFAOYSA-N 0 1 376.372 3.469 20 0 GGADMN Cc1ccc(C(=O)OCc2ccc3nn[nH]c3c2)cc1NC(=O)c1ccco1 ZINC000117087523 1412996911 /nfs/dbraw/zinc/99/69/11/1412996911.db2.gz VXAZHYYXWWNDGD-UHFFFAOYSA-N 0 1 376.372 3.469 20 0 GGADMN O=C(OCc1ccc2[nH]nnc2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000117090258 1412997034 /nfs/dbraw/zinc/99/70/34/1412997034.db2.gz PBFUUXDJHVQKPJ-UHFFFAOYSA-N 0 1 396.281 3.164 20 0 GGADMN O=C(OCc1ccc2nn[nH]c2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000117090258 1412997037 /nfs/dbraw/zinc/99/70/37/1412997037.db2.gz PBFUUXDJHVQKPJ-UHFFFAOYSA-N 0 1 396.281 3.164 20 0 GGADMN Cc1noc(C)c1COc1ccccc1C(=O)OCc1ccc2[nH]nnc2c1 ZINC000117087421 1412997291 /nfs/dbraw/zinc/99/72/91/1412997291.db2.gz SPFRRIKXVOOHKM-UHFFFAOYSA-N 0 1 378.388 3.499 20 0 GGADMN Cc1noc(C)c1COc1ccccc1C(=O)OCc1ccc2nn[nH]c2c1 ZINC000117087421 1412997296 /nfs/dbraw/zinc/99/72/96/1412997296.db2.gz SPFRRIKXVOOHKM-UHFFFAOYSA-N 0 1 378.388 3.499 20 0 GGADMN CN(C(=O)C1CC1)c1ccccc1C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117093575 1412997951 /nfs/dbraw/zinc/99/79/51/1412997951.db2.gz PBSCUYBMOFSMBI-LJQANCHMSA-N 0 1 378.472 3.491 20 0 GGADMN CC(C)Oc1ccc(CCNC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000117112195 1413000653 /nfs/dbraw/zinc/00/06/53/1413000653.db2.gz LOBSMTDGDXRIPZ-UHFFFAOYSA-N 0 1 397.504 3.105 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000117114569 1413000971 /nfs/dbraw/zinc/00/09/71/1413000971.db2.gz BUQRJQWPKMZEPF-LLVKDONJSA-N 0 1 391.464 3.231 20 0 GGADMN CCCOc1ccc(CNC(=O)CSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000117112773 1413001354 /nfs/dbraw/zinc/00/13/54/1413001354.db2.gz GBJYAHIIXCUJDG-UHFFFAOYSA-N 0 1 383.477 3.064 20 0 GGADMN COc1ccc([C@@H](NC(=O)CSc2nc(-c3ccccn3)n[nH]2)C(C)C)cc1 ZINC000117113470 1413001399 /nfs/dbraw/zinc/00/13/99/1413001399.db2.gz HCOZFSNCWJLKKJ-SFHVURJKSA-N 0 1 397.504 3.481 20 0 GGADMN CC(C)[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)NCc1ccccc1F ZINC000117116308 1413002431 /nfs/dbraw/zinc/00/24/31/1413002431.db2.gz ISMZREOGJHJEOH-INIZCTEOSA-N 0 1 385.468 3.439 20 0 GGADMN CCO[C@@H](C)c1nc(CC(=O)NC[C@H](c2ccco2)N2CCCC2)cs1 ZINC000117123612 1413002851 /nfs/dbraw/zinc/00/28/51/1413002851.db2.gz DOLQWPMMPAAUKM-GOEBONIOSA-N 0 1 377.510 3.329 20 0 GGADMN CCO[C@H](C)c1nc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cs1 ZINC000117123609 1413003151 /nfs/dbraw/zinc/00/31/51/1413003151.db2.gz DOLQWPMMPAAUKM-ZBFHGGJFSA-N 0 1 377.510 3.329 20 0 GGADMN COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000117230128 1413016273 /nfs/dbraw/zinc/01/62/73/1413016273.db2.gz JWCUDIJDZOBNRH-UHFFFAOYSA-N 0 1 386.832 3.478 20 0 GGADMN CCO[C@@H](C)c1nc(CC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC000117233418 1413016854 /nfs/dbraw/zinc/01/68/54/1413016854.db2.gz CCEXMYOVGKKYAH-SUMWQHHRSA-N 0 1 379.501 3.341 20 0 GGADMN CCO[C@H](C)c1nc(CC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cs1 ZINC000117240867 1413017849 /nfs/dbraw/zinc/01/78/49/1413017849.db2.gz JCUBDLAQSBILGU-CXAGYDPISA-N 0 1 379.501 3.341 20 0 GGADMN CCO[C@@H](C)c1nc(CC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cs1 ZINC000117242406 1413018532 /nfs/dbraw/zinc/01/85/32/1413018532.db2.gz CYSPEIUXCHLWJZ-NSHDSACASA-N 0 1 387.465 3.216 20 0 GGADMN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000117273762 1413021842 /nfs/dbraw/zinc/02/18/42/1413021842.db2.gz PXHWWGDRDXJWAG-MRXNPFEDSA-N 0 1 379.435 3.374 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824572682 1428694795 /nfs/dbraw/zinc/69/47/95/1428694795.db2.gz WDHXCXDEZBIEOR-HNAYVOBHSA-N 0 1 389.459 3.110 20 0 GGADMN COc1ccc([C@H]2CCCN2CCn2cnc3ccccc3c2=O)c(OC)c1 ZINC000117334215 1413026615 /nfs/dbraw/zinc/02/66/15/1413026615.db2.gz FZDUZVYOOSXPSO-HXUWFJFHSA-N 0 1 379.460 3.251 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736458228 1428695301 /nfs/dbraw/zinc/69/53/01/1428695301.db2.gz XOUTXKDEJLLOBN-LBPRGKRZSA-N 0 1 383.422 3.347 20 0 GGADMN CCCC[N@@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736458228 1428695305 /nfs/dbraw/zinc/69/53/05/1428695305.db2.gz XOUTXKDEJLLOBN-LBPRGKRZSA-N 0 1 383.422 3.347 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736458228 1428695312 /nfs/dbraw/zinc/69/53/12/1428695312.db2.gz XOUTXKDEJLLOBN-LBPRGKRZSA-N 0 1 383.422 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COc1cc(NC2CCN([C@@H](C)C(=O)N3CCCCCC3)CC2)cc(OC)c1 ZINC000177370141 1428707507 /nfs/dbraw/zinc/70/75/07/1428707507.db2.gz VPTRLOCBWJKMCV-KRWDZBQOSA-N 0 1 389.540 3.371 20 0 GGADMN COc1cc(NC(=O)CC2(N3CCOCC3)CCCC2)c(OC)cc1Cl ZINC000118639996 1413200768 /nfs/dbraw/zinc/20/07/68/1413200768.db2.gz QYQVEMNCCYRFAI-UHFFFAOYSA-N 0 1 382.888 3.331 20 0 GGADMN Cn1c(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)nc2ccccc21 ZINC000118658980 1413201738 /nfs/dbraw/zinc/20/17/38/1413201738.db2.gz QRJFMRXOAMBPMC-OAQYLSRUSA-N 0 1 376.504 3.287 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)CNc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000118770209 1413217397 /nfs/dbraw/zinc/21/73/97/1413217397.db2.gz BGFCUVYZTVKCBL-IRXDYDNUSA-N 0 1 385.483 3.163 20 0 GGADMN O=C(NCc1ccccc1OC1CCCC1)N1CCN(C2CCOCC2)CC1 ZINC000177376765 1428710650 /nfs/dbraw/zinc/71/06/50/1428710650.db2.gz YTWVVJLJIVHRBD-UHFFFAOYSA-N 0 1 387.524 3.014 20 0 GGADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc4[n-]c(=S)oc4c3)c2)CCO1 ZINC000118779995 1413219949 /nfs/dbraw/zinc/21/99/49/1413219949.db2.gz USVCISVZIFHIQZ-AWEZNQCLSA-N 0 1 397.500 3.267 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc4[n-]c(=S)oc4c3)c2)CCO1 ZINC000118779995 1413219955 /nfs/dbraw/zinc/21/99/55/1413219955.db2.gz USVCISVZIFHIQZ-AWEZNQCLSA-N 0 1 397.500 3.267 20 0 GGADMN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118789417 1413220531 /nfs/dbraw/zinc/22/05/31/1413220531.db2.gz PFHNROAXARAHOW-AWEZNQCLSA-N 0 1 387.402 3.161 20 0 GGADMN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118789415 1413220749 /nfs/dbraw/zinc/22/07/49/1413220749.db2.gz PFHNROAXARAHOW-CQSZACIVSA-N 0 1 387.402 3.161 20 0 GGADMN O=C(Nc1ccccc1N1CCCCC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118791852 1413221429 /nfs/dbraw/zinc/22/14/29/1413221429.db2.gz GBHWFIIIPLFACH-LJQANCHMSA-N 0 1 386.540 3.253 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(C)c1 ZINC000118809643 1413228258 /nfs/dbraw/zinc/22/82/58/1413228258.db2.gz FVFLMNZMJVVIRQ-SFHVURJKSA-N 0 1 375.513 3.360 20 0 GGADMN O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118813170 1413229196 /nfs/dbraw/zinc/22/91/96/1413229196.db2.gz NNHAHQMWFFXARR-ZDUSSCGKSA-N 0 1 389.393 3.421 20 0 GGADMN O=C(Nc1cc(-n2cccc2)ccc1F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000118817734 1413231769 /nfs/dbraw/zinc/23/17/69/1413231769.db2.gz RCJFJWDTPMKBBP-QGZVFWFLSA-N 0 1 386.471 3.193 20 0 GGADMN CCC[C@H](O)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000118816844 1413231806 /nfs/dbraw/zinc/23/18/06/1413231806.db2.gz KTFWQSOBTLLKRV-IBGZPJMESA-N 0 1 390.528 3.174 20 0 GGADMN O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118817971 1413231887 /nfs/dbraw/zinc/23/18/87/1413231887.db2.gz SLUIUGKJAVRGIY-ZDUSSCGKSA-N 0 1 389.393 3.421 20 0 GGADMN CCN1CCCN([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000118826625 1413235043 /nfs/dbraw/zinc/23/50/43/1413235043.db2.gz LTKLFVFPURRVQN-SFHVURJKSA-N 0 1 379.504 3.272 20 0 GGADMN CCN1CCN([C@@H]2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)C2)CC1 ZINC000118834803 1413237006 /nfs/dbraw/zinc/23/70/06/1413237006.db2.gz PQWYFLFBUMCVMZ-GOEBONIOSA-N 0 1 399.366 3.032 20 0 GGADMN CCN1CCN([C@H]2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000118834934 1413238173 /nfs/dbraw/zinc/23/81/73/1413238173.db2.gz OKSHMIPHLAUCNT-HOCLYGCPSA-N 0 1 399.366 3.032 20 0 GGADMN C[C@@H](c1cccnc1)N1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000118837032 1413240150 /nfs/dbraw/zinc/24/01/50/1413240150.db2.gz VUACIACLCDGLCZ-WMZHIEFXSA-N 0 1 392.547 3.344 20 0 GGADMN COc1cccc(CNC(=O)[C@@H](C)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000118837793 1413240498 /nfs/dbraw/zinc/24/04/98/1413240498.db2.gz XVJRDVCTVTVBJA-MRXNPFEDSA-N 0 1 392.503 3.456 20 0 GGADMN O=C(CN1CCC(c2c[nH]c3ncccc23)CC1)NCCOc1cccc(F)c1 ZINC000118837497 1413240731 /nfs/dbraw/zinc/24/07/31/1413240731.db2.gz HDLWYXNHWDTXKP-UHFFFAOYSA-N 0 1 396.466 3.077 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)C(C)C ZINC000118840018 1413241669 /nfs/dbraw/zinc/24/16/69/1413241669.db2.gz AEZGMSKOWZPHNB-HXUWFJFHSA-N 0 1 380.492 3.208 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)C(C)C ZINC000118840972 1413242137 /nfs/dbraw/zinc/24/21/37/1413242137.db2.gz MVBQNRJFHKDJQX-NRFANRHFSA-N 0 1 380.492 3.442 20 0 GGADMN CCN(CC)C(=O)C1(NCC(=O)Nc2ccnn2C2CCCC2)CCCCC1 ZINC000118847076 1413243805 /nfs/dbraw/zinc/24/38/05/1413243805.db2.gz LMFAHKJPKBMZRP-UHFFFAOYSA-N 0 1 389.544 3.098 20 0 GGADMN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC(CN2CCCCC2=O)CC1 ZINC000118851838 1413246527 /nfs/dbraw/zinc/24/65/27/1413246527.db2.gz BGELREGWCJOJGE-SFHVURJKSA-N 0 1 375.557 3.106 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN2CCC(CN3CCCCC3=O)CC2)cc1C ZINC000118851577 1413246804 /nfs/dbraw/zinc/24/68/04/1413246804.db2.gz ZGSGVNNJCXMSOZ-IBGZPJMESA-N 0 1 385.552 3.205 20 0 GGADMN C[C@@H](CNC(=O)[C@@H](C)N1CCC(CN2CCCCC2=O)CC1)c1ccccc1 ZINC000118851386 1413246943 /nfs/dbraw/zinc/24/69/43/1413246943.db2.gz MTIAROXRFLKSLN-RBUKOAKNSA-N 0 1 385.552 3.019 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(CN2CCCCC2=O)CC1)N1CCCCC1 ZINC000118851413 1413247149 /nfs/dbraw/zinc/24/71/49/1413247149.db2.gz FKLWUMREFAJLKQ-HSZRJFAPSA-N 0 1 397.563 3.465 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC(CN2CCCCC2=O)CC1 ZINC000118851388 1413247364 /nfs/dbraw/zinc/24/73/64/1413247364.db2.gz MTIAROXRFLKSLN-RTBURBONSA-N 0 1 385.552 3.019 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(CN2CCCCC2=O)CC1 ZINC000118851824 1413247445 /nfs/dbraw/zinc/24/74/45/1413247445.db2.gz CNQJMVIDSKXFRW-JOCHJYFZSA-N 0 1 385.552 3.321 20 0 GGADMN CC(C)c1ccc(CCNC(=O)CN2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000118852572 1413247723 /nfs/dbraw/zinc/24/77/23/1413247723.db2.gz SLTGMJJEYJKWNK-UHFFFAOYSA-N 0 1 399.579 3.193 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(CN2CCCCC2=O)CC1)c1ccc(Cl)cc1 ZINC000118852306 1413248667 /nfs/dbraw/zinc/24/86/67/1413248667.db2.gz PSJNGAXFQBXBKV-MRXNPFEDSA-N 0 1 391.943 3.242 20 0 GGADMN COc1ccccc1CCNC(=O)CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000118867282 1413253721 /nfs/dbraw/zinc/25/37/21/1413253721.db2.gz FACMPXRIPMGJSK-NRFANRHFSA-N 0 1 381.520 3.257 20 0 GGADMN Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000118876050 1413256223 /nfs/dbraw/zinc/25/62/23/1413256223.db2.gz RIKKMQQGLALASU-IBGZPJMESA-N 0 1 394.519 3.483 20 0 GGADMN COc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c2cccnc12 ZINC000118880779 1413258152 /nfs/dbraw/zinc/25/81/52/1413258152.db2.gz AOBJZERWMKZUOO-UHFFFAOYSA-N 0 1 390.487 3.243 20 0 GGADMN CN1C(=O)C[C@@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)[C@@H]1c1cccnc1 ZINC000118883494 1413259256 /nfs/dbraw/zinc/25/92/56/1413259256.db2.gz AMFGRUJYNDQXGZ-UZLBHIALSA-N 0 1 389.459 3.384 20 0 GGADMN O=C(Nc1cnn(CC(F)(F)F)c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000118891418 1413261465 /nfs/dbraw/zinc/26/14/65/1413261465.db2.gz DAZXVUBCLNCOLQ-UHFFFAOYSA-N 0 1 399.392 3.371 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(OC(C)(C)C)CC2)cc1OC ZINC000118951623 1413271349 /nfs/dbraw/zinc/27/13/49/1413271349.db2.gz VVQFDJASPGZHKH-MRXNPFEDSA-N 0 1 392.540 3.330 20 0 GGADMN CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139093889 1428714424 /nfs/dbraw/zinc/71/44/24/1428714424.db2.gz IRIQDGXHQCCAFN-UHFFFAOYSA-N 0 1 376.508 3.353 20 0 GGADMN CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139093889 1428714425 /nfs/dbraw/zinc/71/44/25/1428714425.db2.gz IRIQDGXHQCCAFN-UHFFFAOYSA-N 0 1 376.508 3.353 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000118964747 1413277795 /nfs/dbraw/zinc/27/77/95/1413277795.db2.gz QUCQOCZVXJCGQA-RBBKRZOGSA-N 0 1 394.519 3.266 20 0 GGADMN Cc1ncc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1-c1ccccc1 ZINC000177389098 1428714663 /nfs/dbraw/zinc/71/46/63/1428714663.db2.gz DWUDXWLNOJTZOH-INIZCTEOSA-N 0 1 398.532 3.282 20 0 GGADMN COC(=O)c1cccc(-c2nc(CN3CCC[C@@H](Cn4ccnn4)C3)cs2)c1 ZINC000118971711 1413282414 /nfs/dbraw/zinc/28/24/14/1413282414.db2.gz OXIIDYXDUXLHMS-OAHLLOKOSA-N 0 1 397.504 3.100 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(OCC(F)F)nc1 ZINC000119003577 1413301038 /nfs/dbraw/zinc/30/10/38/1413301038.db2.gz WYBIZTPKLQBRGO-CQSZACIVSA-N 0 1 381.448 3.354 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(OCC(F)F)nc1 ZINC000119003683 1413301155 /nfs/dbraw/zinc/30/11/55/1413301155.db2.gz WYBIZTPKLQBRGO-AWEZNQCLSA-N 0 1 381.448 3.354 20 0 GGADMN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119011600 1413303194 /nfs/dbraw/zinc/30/31/94/1413303194.db2.gz UMNPZEJMWHEQEB-JKSUJKDBSA-N 0 1 383.558 3.040 20 0 GGADMN CC(C)C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccccn1 ZINC000119044490 1413315340 /nfs/dbraw/zinc/31/53/40/1413315340.db2.gz HRVOWFVJBFTVOI-HXUWFJFHSA-N 0 1 381.524 3.055 20 0 GGADMN CCc1onc(C)c1NC(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000119050188 1413316325 /nfs/dbraw/zinc/31/63/25/1413316325.db2.gz OTCRLUHCAOBLLI-UHFFFAOYSA-N 0 1 385.512 3.188 20 0 GGADMN COC(=O)c1sc(NC(=O)CCCCc2cn[nH]n2)nc1C1CCCC1 ZINC000119053390 1413318259 /nfs/dbraw/zinc/31/82/59/1413318259.db2.gz CKSSMFQOFIQSPN-UHFFFAOYSA-N 0 1 377.470 3.057 20 0 GGADMN O=C(CN1CCC[C@@H](Cn2ccnn2)C1)Nc1ccccc1Cc1ccccc1 ZINC000119060344 1413320948 /nfs/dbraw/zinc/32/09/48/1413320948.db2.gz QDVDYIPSLGYOFT-HXUWFJFHSA-N 0 1 389.503 3.220 20 0 GGADMN C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc2c(c1)CCC2 ZINC000119062438 1413322252 /nfs/dbraw/zinc/32/22/52/1413322252.db2.gz YYTUXWMSQHEULR-MRXNPFEDSA-N 0 1 378.520 3.123 20 0 GGADMN CC1(C)Cc2occc2[C@@H](NCc2cccnc2N2CCC(C(N)=O)CC2)C1 ZINC000119066147 1413323822 /nfs/dbraw/zinc/32/38/22/1413323822.db2.gz XLPIGBHSIWPDKL-SFHVURJKSA-N 0 1 382.508 3.180 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cnn(-c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000119069779 1413325296 /nfs/dbraw/zinc/32/52/96/1413325296.db2.gz AEKGQSMSYZMCIV-GJZGRUSLSA-N 0 1 391.903 3.147 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3nc(-c4nccn4C)cs3)[nH]n2)cc1 ZINC000119072998 1413326083 /nfs/dbraw/zinc/32/60/83/1413326083.db2.gz YEAAQKMEZHWDOG-UHFFFAOYSA-N 0 1 380.433 3.195 20 0 GGADMN CCc1onc(C)c1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119081799 1413329481 /nfs/dbraw/zinc/32/94/81/1413329481.db2.gz LLBCLQSKGZETDL-HUUCEWRRSA-N 0 1 386.496 3.476 20 0 GGADMN C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000119086272 1413331116 /nfs/dbraw/zinc/33/11/16/1413331116.db2.gz SRPLCMMVHKFAEM-ZDUSSCGKSA-N 0 1 390.890 3.427 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119088008 1413331584 /nfs/dbraw/zinc/33/15/84/1413331584.db2.gz GMUVJDMTICZINC-KBPBESRZSA-N 0 1 381.402 3.036 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)N1CCCCC1 ZINC000119095269 1413334438 /nfs/dbraw/zinc/33/44/38/1413334438.db2.gz DHUOYDKMNMFWQV-HKUYNNGSSA-N 0 1 389.540 3.479 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)N1CCCCC1 ZINC000119095490 1413334802 /nfs/dbraw/zinc/33/48/02/1413334802.db2.gz DHUOYDKMNMFWQV-PKOBYXMFSA-N 0 1 389.540 3.479 20 0 GGADMN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000119107050 1413338686 /nfs/dbraw/zinc/33/86/86/1413338686.db2.gz YHTWABNFRPUKBH-CYBMUJFWSA-N 0 1 382.851 3.419 20 0 GGADMN CCCn1c(CNC[C@H](O)COc2ccc(F)c(F)c2)nc2ccccc21 ZINC000119111206 1413341351 /nfs/dbraw/zinc/34/13/51/1413341351.db2.gz LEAIYJOSJYEPJY-AWEZNQCLSA-N 0 1 375.419 3.254 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3CC(=O)c3ccco3)n[nH]2)cc1 ZINC000119141591 1413353433 /nfs/dbraw/zinc/35/34/33/1413353433.db2.gz IOBGJMXUVJIKSL-INIZCTEOSA-N 0 1 379.416 3.092 20 0 GGADMN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000119144765 1413353849 /nfs/dbraw/zinc/35/38/49/1413353849.db2.gz ZBUMDYIGLAYFDQ-CYBMUJFWSA-N 0 1 382.851 3.419 20 0 GGADMN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1nnc2ccccc2c1O ZINC000119146025 1413355012 /nfs/dbraw/zinc/35/50/12/1413355012.db2.gz KEWYVCOMVXCARH-GOSISDBHSA-N 0 1 390.830 3.491 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119153716 1413357780 /nfs/dbraw/zinc/35/77/80/1413357780.db2.gz BZGVTLNJEYHPCB-KBPBESRZSA-N 0 1 381.402 3.036 20 0 GGADMN Cn1ncc2c1ncc(C(=O)Nc1cccc(COCc3ccco3)c1)c2O ZINC000119161625 1413360116 /nfs/dbraw/zinc/36/01/16/1413360116.db2.gz VDBRNYPQRHQOCA-UHFFFAOYSA-N 0 1 378.388 3.236 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119162965 1413361054 /nfs/dbraw/zinc/36/10/54/1413361054.db2.gz NSUYLNCFIOLWLK-INIZCTEOSA-N 0 1 392.385 3.002 20 0 GGADMN O=C(CN1CCC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000119165670 1413362358 /nfs/dbraw/zinc/36/23/58/1413362358.db2.gz PWQSQYXWLKTVTP-IBGZPJMESA-N 0 1 396.539 3.009 20 0 GGADMN COc1ccc(Br)cc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000119167991 1413362941 /nfs/dbraw/zinc/36/29/41/1413362941.db2.gz YOBKRKRVPQMNRT-UHFFFAOYSA-N 0 1 397.313 3.431 20 0 GGADMN Cn1ncc2c1ncc(C(=O)Nc1nnc(-c3ccccc3Cl)s1)c2O ZINC000119176309 1413365823 /nfs/dbraw/zinc/36/58/23/1413365823.db2.gz SBZPZJZIWCNTQO-UHFFFAOYSA-N 0 1 386.824 3.098 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119174804 1413365927 /nfs/dbraw/zinc/36/59/27/1413365927.db2.gz ZUJCFVUGMGEKBS-VFZGTOFNSA-N 0 1 392.385 3.173 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000119180910 1413367771 /nfs/dbraw/zinc/36/77/71/1413367771.db2.gz YSYHFLVIRMWSCD-WOJBJXKFSA-N 0 1 399.560 3.152 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000119180685 1413367899 /nfs/dbraw/zinc/36/78/99/1413367899.db2.gz YSYHFLVIRMWSCD-UXHICEINSA-N 0 1 399.560 3.152 20 0 GGADMN CCc1ncsc1C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119188810 1413370044 /nfs/dbraw/zinc/37/00/44/1413370044.db2.gz CRNOTBSMPQUWDJ-CYBMUJFWSA-N 0 1 376.501 3.087 20 0 GGADMN O=C(C[C@H]1COCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccco1 ZINC000119193080 1413371172 /nfs/dbraw/zinc/37/11/72/1413371172.db2.gz OKBBDDUICFKYOH-ZDUSSCGKSA-N 0 1 399.834 3.437 20 0 GGADMN O=C(C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccco1 ZINC000119193211 1413371363 /nfs/dbraw/zinc/37/13/63/1413371363.db2.gz OKBBDDUICFKYOH-CYBMUJFWSA-N 0 1 399.834 3.437 20 0 GGADMN COCc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)o1 ZINC000119197565 1413372362 /nfs/dbraw/zinc/37/23/62/1413372362.db2.gz OTOFCPIPUKIUEY-AWEZNQCLSA-N 0 1 380.326 3.082 20 0 GGADMN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1nc(Br)cs1 ZINC000119196493 1413372628 /nfs/dbraw/zinc/37/26/28/1413372628.db2.gz ABHGXNVKCFHJDO-CYBMUJFWSA-N 0 1 380.311 3.473 20 0 GGADMN CCc1onc(C)c1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000119203987 1413374809 /nfs/dbraw/zinc/37/48/09/1413374809.db2.gz XZWNNVMAANCUHD-ZDUSSCGKSA-N 0 1 389.475 3.319 20 0 GGADMN CC[C@@H]1C[C@H](C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)CCO1 ZINC000119209216 1413376161 /nfs/dbraw/zinc/37/61/61/1413376161.db2.gz KQUVCEXRNFQYSU-YUELXQCFSA-N 0 1 382.386 3.234 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1(CC)CC ZINC000177406541 1428722015 /nfs/dbraw/zinc/72/20/15/1428722015.db2.gz SLAAGRODDOCXBA-RTBURBONSA-N 0 1 389.540 3.243 20 0 GGADMN Cc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1O ZINC000119222285 1413380330 /nfs/dbraw/zinc/38/03/30/1413380330.db2.gz VQQHTDRMYJRBMU-HNNXBMFYSA-N 0 1 376.338 3.357 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nncn4C(C)C)C3)n[nH]2)cc1 ZINC000119224532 1413380939 /nfs/dbraw/zinc/38/09/39/1413380939.db2.gz OZMSFQJBJFQGFP-MRXNPFEDSA-N 0 1 394.479 3.278 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000119228254 1413382369 /nfs/dbraw/zinc/38/23/69/1413382369.db2.gz JSPUDRGHIXMDHV-AVRDEDQJSA-N 0 1 389.503 3.192 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000119230615 1413382743 /nfs/dbraw/zinc/38/27/43/1413382743.db2.gz POOPVYATJUEZGE-UHFFFAOYSA-N 0 1 391.475 3.358 20 0 GGADMN CN(C)Cc1c2ccccc2oc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000119230460 1413383047 /nfs/dbraw/zinc/38/30/47/1413383047.db2.gz IMVDNLAZVQGFLY-HNNXBMFYSA-N 0 1 396.443 3.201 20 0 GGADMN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1(C)C ZINC000119231288 1413383082 /nfs/dbraw/zinc/38/30/82/1413383082.db2.gz LBCADKWABBUEQF-RRFJBIMHSA-N 0 1 394.397 3.280 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cc(Oc4ccccc4)ccc3O)C2)CC1 ZINC000177407201 1428722588 /nfs/dbraw/zinc/72/25/88/1428722588.db2.gz DVOVQIKUOVDTSU-SFHVURJKSA-N 0 1 395.503 3.037 20 0 GGADMN C[C@@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000119233717 1413384059 /nfs/dbraw/zinc/38/40/59/1413384059.db2.gz XAKXIEWRQFHYLB-ABAIWWIYSA-N 0 1 375.354 3.228 20 0 GGADMN O=C(CCc1cncc(F)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119236241 1413384622 /nfs/dbraw/zinc/38/46/22/1413384622.db2.gz COTVKBHDKTYFOA-MRXNPFEDSA-N 0 1 393.344 3.196 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000119257535 1413391304 /nfs/dbraw/zinc/39/13/04/1413391304.db2.gz GSJUSLAYBZBWBU-LBPRGKRZSA-N 0 1 391.401 3.176 20 0 GGADMN O=C(CCCc1nc(C2CC2)no1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000119289980 1413400654 /nfs/dbraw/zinc/40/06/54/1413400654.db2.gz PRFZQKVWRSRXAU-UHFFFAOYSA-N 0 1 386.471 3.190 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000119302424 1413404416 /nfs/dbraw/zinc/40/44/16/1413404416.db2.gz ZUBJGIAEZCZXMH-LSDHHAIUSA-N 0 1 384.436 3.055 20 0 GGADMN CCn1c2ccccc2nc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000119302306 1413404517 /nfs/dbraw/zinc/40/45/17/1413404517.db2.gz ZUBJGIAEZCZXMH-HUUCEWRRSA-N 0 1 384.436 3.055 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 ZINC000177412452 1428725372 /nfs/dbraw/zinc/72/53/72/1428725372.db2.gz KLBGAUFPSWFIQL-ORAYPTAESA-N 0 1 390.867 3.427 20 0 GGADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000119302978 1413404606 /nfs/dbraw/zinc/40/46/06/1413404606.db2.gz NQROGKFCSODJQL-SJORKVTESA-N 0 1 388.512 3.224 20 0 GGADMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000119303115 1413404677 /nfs/dbraw/zinc/40/46/77/1413404677.db2.gz NQROGKFCSODJQL-IRXDYDNUSA-N 0 1 388.512 3.224 20 0 GGADMN CCCN(C(=O)c1ccccc1NC(=O)c1nnc2ccccc2c1O)C(C)C ZINC000119315110 1413409434 /nfs/dbraw/zinc/40/94/34/1413409434.db2.gz OGPAMAGTQXLGAY-UHFFFAOYSA-N 0 1 392.459 3.436 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@H](O)COCc1ccccc1OC ZINC000119322025 1413411848 /nfs/dbraw/zinc/41/18/48/1413411848.db2.gz UEUIPIMPQOIVQJ-WMZOPIPTSA-N 0 1 383.492 3.293 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2cccs2)CC1)c1cccc(F)c1 ZINC000119327083 1413413021 /nfs/dbraw/zinc/41/30/21/1413413021.db2.gz AFUIYAHHPQGYQN-QGZVFWFLSA-N 0 1 376.501 3.022 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccccc1 ZINC000177415066 1428726065 /nfs/dbraw/zinc/72/60/65/1428726065.db2.gz HGGOPBWJYLWIQC-FOIQADDNSA-N 0 1 384.501 3.265 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000177414628 1428726128 /nfs/dbraw/zinc/72/61/28/1428726128.db2.gz PIQWPSNMBRGJJC-OAQYLSRUSA-N 0 1 381.520 3.069 20 0 GGADMN O=S(=O)(NC1CCN(c2cccs2)CC1)c1c(F)cc(F)cc1F ZINC000119336579 1413415940 /nfs/dbraw/zinc/41/59/40/1413415940.db2.gz SJOCRXZUORFHMU-UHFFFAOYSA-N 0 1 376.425 3.113 20 0 GGADMN COc1ccc(NC(=O)C2(N(C)C)CCC2)cc1OCc1cn2ccccc2n1 ZINC000119352148 1413421027 /nfs/dbraw/zinc/42/10/27/1413421027.db2.gz TZENLMUJMGDMJD-UHFFFAOYSA-N 0 1 394.475 3.345 20 0 GGADMN C[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000119355556 1413422436 /nfs/dbraw/zinc/42/24/36/1413422436.db2.gz MAZIGHBSKWWJMB-QRWLVFNGSA-N 0 1 387.911 3.119 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2)C[C@H](C)O1 ZINC000119371321 1413427537 /nfs/dbraw/zinc/42/75/37/1413427537.db2.gz WCLLAISGHRJXEP-HOTGVXAUSA-N 0 1 388.458 3.433 20 0 GGADMN O=C(CN1CCC[C@H](Cn2ccnn2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000119371691 1413427575 /nfs/dbraw/zinc/42/75/75/1413427575.db2.gz FHSSJOCTBAQUJZ-JTSKRJEESA-N 0 1 399.514 3.177 20 0 GGADMN CCNC(=O)c1ccccc1NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000119388890 1413432211 /nfs/dbraw/zinc/43/22/11/1413432211.db2.gz ZOBOVPMCPMCXMK-UHFFFAOYSA-N 0 1 378.432 3.396 20 0 GGADMN CN(CC(=O)Nc1ccccc1Oc1cccc(F)c1)c1ncnc2[nH]cnc21 ZINC000119396791 1413433815 /nfs/dbraw/zinc/43/38/15/1413433815.db2.gz BQBONKOPTAGRAI-UHFFFAOYSA-N 0 1 392.394 3.359 20 0 GGADMN Cc1[nH]c(SCC(=O)Nc2ccc3oc(=O)[nH]c3c2)nc1Cc1ccccc1 ZINC000119402802 1413435262 /nfs/dbraw/zinc/43/52/62/1413435262.db2.gz ZGFRXEJXHJFJKE-UHFFFAOYSA-N 0 1 394.456 3.474 20 0 GGADMN COc1ccc(Cl)cc1CN1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000119410670 1413437815 /nfs/dbraw/zinc/43/78/15/1413437815.db2.gz WFUUWYPYLXJITQ-UHFFFAOYSA-N 0 1 378.831 3.151 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(C)nc2Br)CCN1CCOC ZINC000119413469 1413439312 /nfs/dbraw/zinc/43/93/12/1413439312.db2.gz CLKVSTMAGDCYJM-CQSZACIVSA-N 0 1 399.333 3.117 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000119416500 1413440522 /nfs/dbraw/zinc/44/05/22/1413440522.db2.gz LOGWPLNQZUPLSK-QGZVFWFLSA-N 0 1 387.446 3.247 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000119427044 1413444045 /nfs/dbraw/zinc/44/40/45/1413444045.db2.gz XGUFCQFTCVCXFB-GOSISDBHSA-N 0 1 379.589 3.336 20 0 GGADMN N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(CC4CC4)CC3)c2)nc1 ZINC000119435892 1413446224 /nfs/dbraw/zinc/44/62/24/1413446224.db2.gz SZRMEHWYCLNSSL-UHFFFAOYSA-N 0 1 377.448 3.305 20 0 GGADMN O=C(c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1F)N1CCCC1 ZINC000119456506 1413452924 /nfs/dbraw/zinc/45/29/24/1413452924.db2.gz NZXXOFHEZQGEFB-UHFFFAOYSA-N 0 1 399.447 3.411 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1nc(Br)cs1 ZINC000119456642 1413453006 /nfs/dbraw/zinc/45/30/06/1413453006.db2.gz MSUZYAKMYFMSDK-UHFFFAOYSA-N 0 1 381.255 3.078 20 0 GGADMN CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119462356 1413455398 /nfs/dbraw/zinc/45/53/98/1413455398.db2.gz UFVSFXOXGHYLAT-HXUWFJFHSA-N 0 1 378.476 3.441 20 0 GGADMN CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119462356 1413455402 /nfs/dbraw/zinc/45/54/02/1413455402.db2.gz UFVSFXOXGHYLAT-HXUWFJFHSA-N 0 1 378.476 3.441 20 0 GGADMN COc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC ZINC000119463591 1413456101 /nfs/dbraw/zinc/45/61/01/1413456101.db2.gz ACICUQIKIKSPAF-GFCCVEGCSA-N 0 1 398.912 3.198 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(F)cc1NC1CC1 ZINC000119468324 1413457592 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387.549 3.484 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC3(c4cccc(F)c4)CC3)n2)cc1 ZINC000120549141 1413841001 /nfs/dbraw/zinc/84/10/01/1413841001.db2.gz KNHVYNRQGYPYSZ-UHFFFAOYSA-N 0 1 381.411 3.108 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC3(c4cccc(F)c4)CC3)n[nH]2)cc1 ZINC000120549141 1413841003 /nfs/dbraw/zinc/84/10/03/1413841003.db2.gz KNHVYNRQGYPYSZ-UHFFFAOYSA-N 0 1 381.411 3.108 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000120554835 1413842409 /nfs/dbraw/zinc/84/24/09/1413842409.db2.gz HILONQFFYXKYKG-INIZCTEOSA-N 0 1 391.479 3.009 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)Cc3cccc(Cl)c3)n2)cc1 ZINC000120570045 1413845631 /nfs/dbraw/zinc/84/56/31/1413845631.db2.gz GCWNMSVFHUAVKY-UHFFFAOYSA-N 0 1 385.855 3.475 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)Cc3cccc(Cl)c3)n[nH]2)cc1 ZINC000120570045 1413845633 /nfs/dbraw/zinc/84/56/33/1413845633.db2.gz GCWNMSVFHUAVKY-UHFFFAOYSA-N 0 1 385.855 3.475 20 0 GGADMN Cc1ccc([C@H](CNC(=O)CCc2nc(-c3ccoc3)no2)N2CCCC2)o1 ZINC000120576051 1413846734 /nfs/dbraw/zinc/84/67/34/1413846734.db2.gz CPAODIKWKJBFOY-INIZCTEOSA-N 0 1 384.436 3.117 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccc(NC(=O)N(C)C)c2)N2CCCC2)o1 ZINC000120579916 1413847687 /nfs/dbraw/zinc/84/76/87/1413847687.db2.gz XMSNZUGWLAJAOZ-SFHVURJKSA-N 0 1 384.480 3.248 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(Cc3ccccc3F)C3CC3)n2)cc1 ZINC000120589733 1413849768 /nfs/dbraw/zinc/84/97/68/1413849768.db2.gz DHJLBHHIHNWZIR-UHFFFAOYSA-N 0 1 395.438 3.494 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(Cc3ccccc3F)C3CC3)n[nH]2)cc1 ZINC000120589733 1413849769 /nfs/dbraw/zinc/84/97/69/1413849769.db2.gz DHJLBHHIHNWZIR-UHFFFAOYSA-N 0 1 395.438 3.494 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000120589524 1413849791 /nfs/dbraw/zinc/84/97/91/1413849791.db2.gz COOZADHQXBEIGQ-UHFFFAOYSA-N 0 1 384.827 3.075 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120592449 1413850414 /nfs/dbraw/zinc/85/04/14/1413850414.db2.gz IMVYLYDFNIOAJA-UTKZUKDTSA-N 0 1 398.551 3.454 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120592745 1413850593 /nfs/dbraw/zinc/85/05/93/1413850593.db2.gz IMVYLYDFNIOAJA-DYESRHJHSA-N 0 1 398.551 3.454 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000120597788 1413851651 /nfs/dbraw/zinc/85/16/51/1413851651.db2.gz LXWQXAMRCXVDKG-UHFFFAOYSA-N 0 1 398.532 3.193 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000120600886 1413851970 /nfs/dbraw/zinc/85/19/70/1413851970.db2.gz HPACXSCGXPTQKC-UHFFFAOYSA-N 0 1 375.233 3.140 20 0 GGADMN COCc1ccc(CNC(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000120607594 1413853417 /nfs/dbraw/zinc/85/34/17/1413853417.db2.gz HTTUBTBWQXDMGY-UHFFFAOYSA-N 0 1 392.503 3.205 20 0 GGADMN CSCc1noc(CCC(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)n1 ZINC000120608813 1413853974 /nfs/dbraw/zinc/85/39/74/1413853974.db2.gz YFBUTHARTQSJSP-UHFFFAOYSA-N 0 1 386.481 3.412 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000120608593 1413854149 /nfs/dbraw/zinc/85/41/49/1413854149.db2.gz MIEWUNILNKNQTR-CYBMUJFWSA-N 0 1 383.473 3.254 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)[C@@H](C)c3ccc(OC)cc3)n2)cc1 ZINC000120610660 1413854493 /nfs/dbraw/zinc/85/44/93/1413854493.db2.gz FAAAZRAZFLCFBS-AWEZNQCLSA-N 0 1 395.463 3.392 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)[C@@H](C)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000120610660 1413854504 /nfs/dbraw/zinc/85/45/04/1413854504.db2.gz FAAAZRAZFLCFBS-AWEZNQCLSA-N 0 1 395.463 3.392 20 0 GGADMN CCOC(=O)c1c2c(sc1NC(=O)CN(C)CCC1CCOCC1)CCC2 ZINC000120615479 1413856312 /nfs/dbraw/zinc/85/63/12/1413856312.db2.gz FIDZSDZZXKUPRJ-UHFFFAOYSA-N 0 1 394.537 3.101 20 0 GGADMN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)CCC1CCOCC1 ZINC000120629684 1413860032 /nfs/dbraw/zinc/86/00/32/1413860032.db2.gz VEUXYFAYNATAJS-VIFPVBQESA-N 0 1 380.357 3.458 20 0 GGADMN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(OCC2CCCC2)CC1 ZINC000177480361 1428760924 /nfs/dbraw/zinc/76/09/24/1428760924.db2.gz RFBRDRSFEWNATA-KRWDZBQOSA-N 0 1 387.524 3.072 20 0 GGADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825193130 1428761267 /nfs/dbraw/zinc/76/12/67/1428761267.db2.gz KQTRMFUKQNFTAH-CHWSQXEVSA-N 0 1 388.541 3.399 20 0 GGADMN CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825193130 1428761269 /nfs/dbraw/zinc/76/12/69/1428761269.db2.gz KQTRMFUKQNFTAH-CHWSQXEVSA-N 0 1 388.541 3.399 20 0 GGADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825193130 1428761270 /nfs/dbraw/zinc/76/12/70/1428761270.db2.gz KQTRMFUKQNFTAH-CHWSQXEVSA-N 0 1 388.541 3.399 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000120650509 1413865787 /nfs/dbraw/zinc/86/57/87/1413865787.db2.gz SGXNDOOUMGQLLK-UHFFFAOYSA-N 0 1 375.476 3.426 20 0 GGADMN O=C(Cc1ccn(-c2ccc(F)cc2)n1)OC[C@H]1CCCN1Cc1ccco1 ZINC000120652607 1413866255 /nfs/dbraw/zinc/86/62/55/1413866255.db2.gz ZJJORKMBNIGKOS-LJQANCHMSA-N 0 1 383.423 3.355 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1 ZINC000120653812 1413866765 /nfs/dbraw/zinc/86/67/65/1413866765.db2.gz HEXPSTALIHBYGI-GOSISDBHSA-N 0 1 394.519 3.054 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(CC(=O)N[C@H](C)CCCC(C)C)CC2)nc1 ZINC000120656774 1413867273 /nfs/dbraw/zinc/86/72/73/1413867273.db2.gz PABCPWHXXJVQFM-GOSISDBHSA-N 0 1 388.556 3.372 20 0 GGADMN C[C@H](O)[C@@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000120662007 1413869008 /nfs/dbraw/zinc/86/90/08/1413869008.db2.gz ORSDAASEWCRVSO-FUHWJXTLSA-N 0 1 385.533 3.405 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(CC(=O)NCCC3=CCCCC3)CC2)nc1 ZINC000120667568 1413870231 /nfs/dbraw/zinc/87/02/31/1413870231.db2.gz OKHNVUNTCAIVTR-UHFFFAOYSA-N 0 1 384.524 3.047 20 0 GGADMN Cc1ccc(NC(=O)C2CCN([C@H](C)C(=O)NCC3CCCCC3)CC2)nc1 ZINC000120672234 1413871237 /nfs/dbraw/zinc/87/12/37/1413871237.db2.gz BIUPBNSOHYWFSM-QGZVFWFLSA-N 0 1 386.540 3.126 20 0 GGADMN C[C@@H](O)[C@@H]1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000120712986 1413881976 /nfs/dbraw/zinc/88/19/76/1413881976.db2.gz VWMWAGIMMPNZCD-GDBMZVCRSA-N 0 1 376.884 3.309 20 0 GGADMN CCOc1c(Cl)cc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC000821390300 1428762756 /nfs/dbraw/zinc/76/27/56/1428762756.db2.gz XMTDKDZVHUDCRR-UHFFFAOYSA-N 0 1 391.834 3.356 20 0 GGADMN C[C@H](O)[C@H]1CCCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000120713934 1413882652 /nfs/dbraw/zinc/88/26/52/1413882652.db2.gz XNBUFNDJOOMVRU-HOCLYGCPSA-N 0 1 384.442 3.289 20 0 GGADMN COc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1NC(=O)c1cccc(F)c1 ZINC000120720681 1413884661 /nfs/dbraw/zinc/88/46/61/1413884661.db2.gz RCICHHMZKQPSFX-UHFFFAOYSA-N 0 1 382.395 3.299 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCC(CN2CCOCC2)CC1 ZINC000120729305 1413886575 /nfs/dbraw/zinc/88/65/75/1413886575.db2.gz QKYBNRGCICMJND-UHFFFAOYSA-N 0 1 389.515 3.001 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000120736391 1413888667 /nfs/dbraw/zinc/88/86/67/1413888667.db2.gz YIIUVPDUVIAIQM-ZBFHGGJFSA-N 0 1 381.314 3.081 20 0 GGADMN CC(C)[C@@H](NCCOc1ccc(F)cc1Cl)c1nc(-c2nc[nH]n2)no1 ZINC000120747344 1413891784 /nfs/dbraw/zinc/89/17/84/1413891784.db2.gz GKSBSRPDEVUBAM-CYBMUJFWSA-N 0 1 380.811 3.013 20 0 GGADMN Cc1cc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2C)no1 ZINC000120761758 1413895587 /nfs/dbraw/zinc/89/55/87/1413895587.db2.gz WHLKXSGUUXBYDA-MRXNPFEDSA-N 0 1 394.479 3.406 20 0 GGADMN COC(=O)c1sc2[n-]c(C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)nc(=O)c2c1C ZINC000120761480 1413895623 /nfs/dbraw/zinc/89/56/23/1413895623.db2.gz CHGAHTXKFARCPX-ZYHUDNBSSA-N 0 1 377.510 3.384 20 0 GGADMN COC[C@@H](NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1ccc(C)o1 ZINC000120768543 1413897270 /nfs/dbraw/zinc/89/72/70/1413897270.db2.gz WGGMPPZHFZHKJU-OAHLLOKOSA-N 0 1 386.477 3.278 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177487843 1428764258 /nfs/dbraw/zinc/76/42/58/1428764258.db2.gz RFZQGISJCIOJKV-KRWDZBQOSA-N 0 1 386.521 3.450 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)CCC1CCOCC1 ZINC000120780816 1413901061 /nfs/dbraw/zinc/90/10/61/1413901061.db2.gz GPNIRZXBAQIQIB-UHFFFAOYSA-N 0 1 382.526 3.229 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1CCCc2ccccc21 ZINC000177487337 1428764482 /nfs/dbraw/zinc/76/44/82/1428764482.db2.gz UHCAICUNIVYYNW-QGZVFWFLSA-N 0 1 380.492 3.089 20 0 GGADMN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120791470 1413903886 /nfs/dbraw/zinc/90/38/86/1413903886.db2.gz VJWVUGIMJQYUIV-CQSZACIVSA-N 0 1 380.427 3.027 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cccc(C)c2Br)C[C@@H]1C ZINC000120789960 1413904044 /nfs/dbraw/zinc/90/40/44/1413904044.db2.gz HKSWCVBOZVBLQO-OKILXGFUSA-N 0 1 384.318 3.330 20 0 GGADMN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120791364 1413904235 /nfs/dbraw/zinc/90/42/35/1413904235.db2.gz VJWVUGIMJQYUIV-AWEZNQCLSA-N 0 1 380.427 3.027 20 0 GGADMN CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 ZINC000120793089 1413904788 /nfs/dbraw/zinc/90/47/88/1413904788.db2.gz SOBYMAZDOTVASC-HNNXBMFYSA-N 0 1 388.489 3.368 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000177489488 1428764856 /nfs/dbraw/zinc/76/48/56/1428764856.db2.gz KVWODFJXVLQTFY-HXUWFJFHSA-N 0 1 396.491 3.225 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCN1C[C@@H](C)O ZINC000120805903 1413908285 /nfs/dbraw/zinc/90/82/85/1413908285.db2.gz LZZYIKXWDGAECA-ZBFHGGJFSA-N 0 1 379.476 3.066 20 0 GGADMN O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120815722 1413912799 /nfs/dbraw/zinc/91/27/99/1413912799.db2.gz CVVFHPUWARIVCI-CYBMUJFWSA-N 0 1 398.492 3.132 20 0 GGADMN O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120824916 1413916769 /nfs/dbraw/zinc/91/67/69/1413916769.db2.gz CWQILTMIOBIGLN-SNVBAGLBSA-N 0 1 386.456 3.006 20 0 GGADMN Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000120830780 1413918328 /nfs/dbraw/zinc/91/83/28/1413918328.db2.gz IFRIUVJLZVUDPQ-INIZCTEOSA-N 0 1 376.464 3.196 20 0 GGADMN Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000120830926 1413918747 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COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCCS1)N1CCCCC1 ZINC000121158527 1414028318 /nfs/dbraw/zinc/02/83/18/1414028318.db2.gz ZXKULUBZCACTED-SJLPKXTDSA-N 0 1 377.554 3.417 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)ccc1Cl ZINC000121164093 1414030121 /nfs/dbraw/zinc/03/01/21/1414030121.db2.gz BNMLLQLBNGNWPE-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000121168811 1414031456 /nfs/dbraw/zinc/03/14/56/1414031456.db2.gz OXDNMEKLSYBSIY-HNNXBMFYSA-N 0 1 385.512 3.104 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000121172895 1414032931 /nfs/dbraw/zinc/03/29/31/1414032931.db2.gz SMROWZZNXYIOPY-OAHLLOKOSA-N 0 1 393.459 3.359 20 0 GGADMN CCc1ccc([C@H](C)NCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1 ZINC000121202306 1414042486 /nfs/dbraw/zinc/04/24/86/1414042486.db2.gz WTOBDXZQWCKIBK-ZDUSSCGKSA-N 0 1 384.871 3.167 20 0 GGADMN CC(=O)N(c1nc(CN2CCN(Cc3ccccc3)C[C@@H]2C)cs1)C1CC1 ZINC000121202171 1414042536 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GGADMN CC(C)N(Cc1ccccc1Cl)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000121266017 1414064629 /nfs/dbraw/zinc/06/46/29/1414064629.db2.gz FENHWXPZTCCJBS-GOSISDBHSA-N 0 1 390.911 3.018 20 0 GGADMN CCOCCC1(CNC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCCC1 ZINC000121280498 1414070055 /nfs/dbraw/zinc/07/00/55/1414070055.db2.gz KGBUZPUQPXUWMN-UHFFFAOYSA-N 0 1 387.568 3.151 20 0 GGADMN O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000121302407 1414077231 /nfs/dbraw/zinc/07/72/31/1414077231.db2.gz GYMDEMZUFWOPIR-LJQANCHMSA-N 0 1 397.494 3.165 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000121302407 1414077236 /nfs/dbraw/zinc/07/72/36/1414077236.db2.gz GYMDEMZUFWOPIR-LJQANCHMSA-N 0 1 397.494 3.165 20 0 GGADMN COc1ccccc1CNC(=O)CN(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121300855 1414077300 /nfs/dbraw/zinc/07/73/00/1414077300.db2.gz UCZMHLWHAJJAPO-FQEVSTJZSA-N 0 1 388.483 3.142 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121312789 1414080133 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GGADMN CCN(CC)[C@@H](C(=O)NC[C@H](O)c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000121357381 1414093794 /nfs/dbraw/zinc/09/37/94/1414093794.db2.gz APHUUSDYHJOTBC-ZWKOTPCHSA-N 0 1 395.425 3.333 20 0 GGADMN O=C(C1CC1)N1CCCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000121358913 1414093890 /nfs/dbraw/zinc/09/38/90/1414093890.db2.gz LEPIIZODKXRYRU-JOCHJYFZSA-N 0 1 394.515 3.038 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3cccc(CS(C)(=O)=O)c3C)[nH]n2)c1 ZINC000121363880 1414095559 /nfs/dbraw/zinc/09/55/59/1414095559.db2.gz SKNZHMMZJKZODB-UHFFFAOYSA-N 0 1 399.472 3.191 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000121364483 1414095799 /nfs/dbraw/zinc/09/57/99/1414095799.db2.gz GEAYRQIHPSOKJR-QGZVFWFLSA-N 0 1 383.467 3.031 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)C(C#N)C(=O)NC(C)C)c2c1C ZINC000121374872 1414099225 /nfs/dbraw/zinc/09/92/25/1414099225.db2.gz LHZWGLFEQGUUQA-LBPRGKRZSA-N 0 1 376.507 3.024 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1F ZINC000121388608 1414104339 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383.458 3.042 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)N2CCCC2)o1 ZINC000121421908 1414116684 /nfs/dbraw/zinc/11/66/84/1414116684.db2.gz QJZDUCRXBSBOSQ-YSIASYRMSA-N 0 1 385.508 3.016 20 0 GGADMN CCCOc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c(C)c1 ZINC000121426093 1414117610 /nfs/dbraw/zinc/11/76/10/1414117610.db2.gz NKWQCFCHNJTCGK-UHFFFAOYSA-N 0 1 382.508 3.330 20 0 GGADMN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)C1 ZINC000121431454 1414120053 /nfs/dbraw/zinc/12/00/53/1414120053.db2.gz SZUWZOVDKRCYHD-OAHLLOKOSA-N 0 1 399.457 3.493 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4c(c3)N(C)CCO4)n2)cc1 ZINC000121435780 1414121771 /nfs/dbraw/zinc/12/17/71/1414121771.db2.gz YYCFRPJKHPQXFJ-UHFFFAOYSA-N 0 1 395.488 3.340 20 0 GGADMN COc1cc2nc(CN3CC[C@@H](c4ccccc4)[C@@H]3C)[nH]c(=O)c2cc1OC ZINC000177534352 1428784059 /nfs/dbraw/zinc/78/40/59/1428784059.db2.gz LWPCVKBRFNCYTE-GOEBONIOSA-N 0 1 379.460 3.318 20 0 GGADMN COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000821903866 1428779013 /nfs/dbraw/zinc/77/90/13/1428779013.db2.gz MZOWHCXQKOMEJR-GFCCVEGCSA-N 0 1 375.523 3.455 20 0 GGADMN Cc1ccc(-c2noc(CCCN3CCCN(C(=O)C4CC4)CC3)n2)cc1F ZINC000121484122 1414144439 /nfs/dbraw/zinc/14/44/39/1414144439.db2.gz BMLDXSARKRHRJU-UHFFFAOYSA-N 0 1 386.471 3.061 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000121530133 1414164284 /nfs/dbraw/zinc/16/42/84/1414164284.db2.gz LNSAZJSFNSRUSZ-HNNXBMFYSA-N 0 1 381.476 3.185 20 0 GGADMN CC(C)[C@H](NC(=O)CN[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000121566120 1414180221 /nfs/dbraw/zinc/18/02/21/1414180221.db2.gz RUUDBZAQGIRODD-UPVQGACJSA-N 0 1 395.547 3.163 20 0 GGADMN COc1ccc(NC(=O)[C@@H](NCCCNC(=O)C2CCC2)c2ccccc2)cc1 ZINC000177544105 1428787498 /nfs/dbraw/zinc/78/74/98/1428787498.db2.gz ADOYIXIBEXVTOD-NRFANRHFSA-N 0 1 395.503 3.271 20 0 GGADMN O=C(c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1F)N1CCCC1 ZINC000121591362 1414190816 /nfs/dbraw/zinc/19/08/16/1414190816.db2.gz CEKJOVBSLTVJTN-UHFFFAOYSA-N 0 1 384.379 3.141 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3nc(C)oc3c2)N(C)C)cc1 ZINC000121591570 1414190922 /nfs/dbraw/zinc/19/09/22/1414190922.db2.gz OLERFWVFIRCLQJ-LJQANCHMSA-N 0 1 394.475 3.056 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C[C@@H]1C ZINC000121594237 1414192596 /nfs/dbraw/zinc/19/25/96/1414192596.db2.gz HQINPGHGZLYPSF-IYBDPMFKSA-N 0 1 399.539 3.071 20 0 GGADMN C[C@@]1(CO)CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000121607384 1414197903 /nfs/dbraw/zinc/19/79/03/1414197903.db2.gz MQVHYAGWJVKIPV-UYAOXDASSA-N 0 1 379.932 3.281 20 0 GGADMN COc1cc(OC)cc([C@@H](O)CNCc2cc(F)ccc2Br)c1 ZINC000121607211 1414198312 /nfs/dbraw/zinc/19/83/12/1414198312.db2.gz UFHIACNWIFKJIU-KRWDZBQOSA-N 0 1 384.245 3.429 20 0 GGADMN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CC[C@@H](c4ccccc4)[C@@H]3C)n12 ZINC000177546789 1428788536 /nfs/dbraw/zinc/78/85/36/1428788536.db2.gz SJVLWGNLQUHSRD-FUHWJXTLSA-N 0 1 387.487 3.268 20 0 GGADMN COc1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1OCC(C)C 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1 385.895 3.366 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@@](C)(CO)C1)N1CCCCC1 ZINC000122859694 1414582513 /nfs/dbraw/zinc/58/25/13/1414582513.db2.gz NESAXKNLRAWAMO-SIKLNZKXSA-N 0 1 389.540 3.026 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](C)O)N1CCCCC1 ZINC000122860735 1414582568 /nfs/dbraw/zinc/58/25/68/1414582568.db2.gz WLAMQHMUZWQGHJ-NSHGMRRFSA-N 0 1 389.540 3.167 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1C[C@H](C)O)N1CCCCC1 ZINC000122860307 1414582658 /nfs/dbraw/zinc/58/26/58/1414582658.db2.gz WLAMQHMUZWQGHJ-BJLQDIEVSA-N 0 1 389.540 3.167 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122859909 1414582789 /nfs/dbraw/zinc/58/27/89/1414582789.db2.gz SRDQXBSKUINPBQ-QAPCUYQASA-N 0 1 385.895 3.366 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000122863427 1414583105 /nfs/dbraw/zinc/58/31/05/1414583105.db2.gz WMVXVABLVSDFFM-WOJBJXKFSA-N 0 1 385.483 3.241 20 0 GGADMN 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WISHVTSSIIXIHP-IBGZPJMESA-N 0 1 396.535 3.222 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122898430 1414591958 /nfs/dbraw/zinc/59/19/58/1414591958.db2.gz ZCILQAOEBWBUKD-NVXWUHKLSA-N 0 1 383.517 3.126 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1Cl ZINC000122900206 1414592639 /nfs/dbraw/zinc/59/26/39/1414592639.db2.gz PQCGCUOUHJRJHR-DOTOQJQBSA-N 0 1 385.895 3.366 20 0 GGADMN CCc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000122921232 1414597681 /nfs/dbraw/zinc/59/76/81/1414597681.db2.gz PRGLFWPYYBGTCF-INIZCTEOSA-N 0 1 397.866 3.000 20 0 GGADMN CCc1n[nH]c(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)n1 ZINC000122921232 1414597688 /nfs/dbraw/zinc/59/76/88/1414597688.db2.gz PRGLFWPYYBGTCF-INIZCTEOSA-N 0 1 397.866 3.000 20 0 GGADMN Cc1ccc(OCCCNC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000122951973 1414603824 /nfs/dbraw/zinc/60/38/24/1414603824.db2.gz PMAAMALBGIWKHT-UHFFFAOYSA-N 0 1 382.508 3.337 20 0 GGADMN 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GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1cccc(C(N)=O)c1 ZINC000123046772 1414627029 /nfs/dbraw/zinc/62/70/29/1414627029.db2.gz KNYDJHOTFCLWBQ-UHFFFAOYSA-N 0 1 399.292 3.332 20 0 GGADMN COc1ccc([C@@H](CNC(=O)COc2ccc(C=O)cc2)N2CCCCC2)cc1 ZINC000123074765 1414634725 /nfs/dbraw/zinc/63/47/25/1414634725.db2.gz RUISQTKFPAYJAS-JOCHJYFZSA-N 0 1 396.487 3.230 20 0 GGADMN O=C(CN(CCc1ccccc1)Cc1ccccc1)N1CCC2(CC1)OCCO2 ZINC000123079040 1414635883 /nfs/dbraw/zinc/63/58/83/1414635883.db2.gz BJWFTTJKHUAUSM-UHFFFAOYSA-N 0 1 394.515 3.097 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)Nc3cccc(Cl)c3Cl)cn2)CC1 ZINC000123085493 1414637436 /nfs/dbraw/zinc/63/74/36/1414637436.db2.gz VPTKQRUKZRQWJV-UHFFFAOYSA-N 0 1 394.306 3.462 20 0 GGADMN CCOc1c(OC)cc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1OC ZINC000123087956 1414638050 /nfs/dbraw/zinc/63/80/50/1414638050.db2.gz KSSKLMARPJILAL-UHFFFAOYSA-N 0 1 398.503 3.497 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000736199162 1428824647 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GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000123418850 1414724106 /nfs/dbraw/zinc/72/41/06/1414724106.db2.gz ZDJCSHXMXFCRQM-UHFFFAOYSA-N 0 1 375.375 3.097 20 0 GGADMN CC(=O)N(CCc1ccccc1)CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000123419465 1414725360 /nfs/dbraw/zinc/72/53/60/1414725360.db2.gz CVBGSTYJQZHZRY-UHFFFAOYSA-N 0 1 380.448 3.316 20 0 GGADMN O=C(Nc1cccc(CNCc2cc3ccccc3[nH]c2=O)c1)[C@H]1CCCO1 ZINC000123445264 1414733416 /nfs/dbraw/zinc/73/34/16/1414733416.db2.gz UWXLSYPTAFSLHP-HXUWFJFHSA-N 0 1 377.444 3.348 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccnc2OCC(F)F)N(C)C)c1 ZINC000123457660 1414737802 /nfs/dbraw/zinc/73/78/02/1414737802.db2.gz FUCLAWHJGSDQEZ-MRXNPFEDSA-N 0 1 394.422 3.159 20 0 GGADMN Cc1ccc(CNC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000123460692 1414738587 /nfs/dbraw/zinc/73/85/87/1414738587.db2.gz DYXMZZZPAKCZQH-UHFFFAOYSA-N 0 1 386.565 3.376 20 0 GGADMN CC[C@@H](C)NC(=O)CN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177682444 1428832749 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385.903 3.379 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000819922715 1428836506 /nfs/dbraw/zinc/83/65/06/1428836506.db2.gz NLVDIEPDAITDAV-UHFFFAOYSA-N 0 1 385.903 3.379 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N[C@H]1c2ccccc2C[C@H]1O ZINC000123598572 1414789543 /nfs/dbraw/zinc/78/95/43/1414789543.db2.gz BEWJEZXVBSIAOJ-HBMCJLEFSA-N 0 1 399.922 3.434 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000123610162 1414794524 /nfs/dbraw/zinc/79/45/24/1414794524.db2.gz SZDZCMCRCPDEMN-LJQANCHMSA-N 0 1 392.459 3.008 20 0 GGADMN Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)N[C@@H](C)c3nnc[nH]3)cc2)c1 ZINC000123615463 1414795152 /nfs/dbraw/zinc/79/51/52/1414795152.db2.gz WMDOXIMSXJYAPP-AWEZNQCLSA-N 0 1 395.488 3.389 20 0 GGADMN COc1cc([C@@H](C)N[C@H](CO)c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000123615949 1414795179 /nfs/dbraw/zinc/79/51/79/1414795179.db2.gz IXEADJULAAYIAL-IUODEOHRSA-N 0 1 385.432 3.076 20 0 GGADMN COc1cc([C@H](C)N[C@H](CO)c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000123615713 1414795342 /nfs/dbraw/zinc/79/53/42/1414795342.db2.gz IXEADJULAAYIAL-SWLSCSKDSA-N 0 1 385.432 3.076 20 0 GGADMN CCc1cccc(CC)c1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000123620615 1414797906 /nfs/dbraw/zinc/79/79/06/1414797906.db2.gz ROMBRQHXWWLGLZ-UHFFFAOYSA-N 0 1 381.524 3.280 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(F)cc1O ZINC000123628131 1414800516 /nfs/dbraw/zinc/80/05/16/1414800516.db2.gz PHCGLOUPYCWONM-AWEZNQCLSA-N 0 1 385.439 3.279 20 0 GGADMN CCOc1ccc(CN(C)C(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123631011 1414800680 /nfs/dbraw/zinc/80/06/80/1414800680.db2.gz SWEJQHSQORQXAZ-QUCCMNQESA-N 0 1 392.565 3.030 20 0 GGADMN O=C(NC[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1)Nc1cccc(F)c1 ZINC000123641307 1414802687 /nfs/dbraw/zinc/80/26/87/1414802687.db2.gz PETLJBBRFMJJTK-ZDUSSCGKSA-N 0 1 389.402 3.344 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000123658700 1414805145 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NC(=O)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cn1 ZINC000123763023 1414821445 /nfs/dbraw/zinc/82/14/45/1414821445.db2.gz JVZQFCYVMRAEOQ-UHFFFAOYSA-N 0 1 375.363 3.115 20 0 GGADMN C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@@H](O)c1ccc(Br)cc1 ZINC000123774206 1414822729 /nfs/dbraw/zinc/82/27/29/1414822729.db2.gz OYMDDYNQJLXHNN-CXAGYDPISA-N 0 1 377.282 3.031 20 0 GGADMN C[C@H](c1ccccc1)N(CC(N)=O)C[C@@H](O)c1ccc(Br)cc1 ZINC000123774206 1414822734 /nfs/dbraw/zinc/82/27/34/1414822734.db2.gz OYMDDYNQJLXHNN-CXAGYDPISA-N 0 1 377.282 3.031 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123773229 1414822773 /nfs/dbraw/zinc/82/27/73/1414822773.db2.gz JTFHTRRXKUOELO-IAGOWNOFSA-N 0 1 377.492 3.250 20 0 GGADMN CN(C)c1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000123772787 1414822791 /nfs/dbraw/zinc/82/27/91/1414822791.db2.gz SVFOJDLQNJIBRM-LIRRHRJNSA-N 0 1 390.890 3.363 20 0 GGADMN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)c2nnc[nH]2)c1 ZINC000123789811 1414824833 /nfs/dbraw/zinc/82/48/33/1414824833.db2.gz HGTBLOPPGGDQKQ-LBPRGKRZSA-N 0 1 399.838 3.375 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000123805581 1414827238 /nfs/dbraw/zinc/82/72/38/1414827238.db2.gz LFTKENUBUJUGNG-UHFFFAOYSA-N 0 1 389.415 3.285 20 0 GGADMN CN1CC[C@H](CNC(=O)CCCn2ccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123815678 1414828546 /nfs/dbraw/zinc/82/85/46/1414828546.db2.gz YBMWRNOHJUDYDB-BEFAXECRSA-N 0 1 378.879 3.265 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000123821802 1414829377 /nfs/dbraw/zinc/82/93/77/1414829377.db2.gz UOKDKIJFCCRMMW-UHFFFAOYSA-N 0 1 392.440 3.438 20 0 GGADMN CN1CC[C@@H](CNC(=O)/C=C/c2ccnn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123835776 1414831989 /nfs/dbraw/zinc/83/19/89/1414831989.db2.gz VBUNZEJJIWVUHW-LXPKZCDLSA-N 0 1 376.863 3.035 20 0 GGADMN NC(=O)c1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cn1 ZINC000123837235 1414832225 /nfs/dbraw/zinc/83/22/25/1414832225.db2.gz OKEONSAOODZPLW-UHFFFAOYSA-N 0 1 393.353 3.254 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2nnc(CC(C)C)s2)N(C)C)c1 ZINC000123839323 1414832326 /nfs/dbraw/zinc/83/23/26/1414832326.db2.gz WHERSKMRZSGEES-HNNXBMFYSA-N 0 1 377.514 3.170 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)NCC2(CN3CCOCC3)CCCCC2)c1 ZINC000177714000 1428840616 /nfs/dbraw/zinc/84/06/16/1428840616.db2.gz NKEDJLNSASRMAT-UHFFFAOYSA-N 0 1 388.512 3.049 20 0 GGADMN COc1cc(CNC(=O)Cc2[nH]nc3ccccc32)ccc1OCC(F)(F)F ZINC000123841645 1414833091 /nfs/dbraw/zinc/83/30/91/1414833091.db2.gz RDWNQHDXAINOAW-UHFFFAOYSA-N 0 1 393.365 3.372 20 0 GGADMN C[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000123847278 1414833731 /nfs/dbraw/zinc/83/37/31/1414833731.db2.gz OOURRMVRKPQJKR-JXFKEZNVSA-N 0 1 389.517 3.499 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCOC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123848227 1414834144 /nfs/dbraw/zinc/83/41/44/1414834144.db2.gz IQHZDVIBGLHNKE-YWZLYKJASA-N 0 1 398.906 3.174 20 0 GGADMN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1C ZINC000123849713 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GGADMN O=C(Nc1ccccc1OC(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000123860629 1414837435 /nfs/dbraw/zinc/83/74/35/1414837435.db2.gz NZUWMQVXLAVBTG-UHFFFAOYSA-N 0 1 376.407 3.469 20 0 GGADMN Cc1cc(SC2CCCCC2)ccc1NC(=O)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000123862488 1414837936 /nfs/dbraw/zinc/83/79/36/1414837936.db2.gz DOWJYDLKMOVNCZ-ZDUSSCGKSA-N 0 1 387.509 3.354 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000123867730 1414839005 /nfs/dbraw/zinc/83/90/05/1414839005.db2.gz MWMQJQXEVFQBJA-IBGZPJMESA-N 0 1 375.419 3.284 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 ZINC000123875388 1414840629 /nfs/dbraw/zinc/84/06/29/1414840629.db2.gz DOTLDALYFKJNRR-UHFFFAOYSA-N 0 1 389.864 3.414 20 0 GGADMN Cc1nn(C)cc1CCC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123879584 1414841138 /nfs/dbraw/zinc/84/11/38/1414841138.db2.gz IPXHKWYMPIYMKF-FOIQADDNSA-N 0 1 392.906 3.263 20 0 GGADMN CCN(CC)C(=O)CCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123884261 1414842269 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O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C1(O)CCSCC1 ZINC000124231527 1414915552 /nfs/dbraw/zinc/91/55/52/1414915552.db2.gz TVIFPGNRXCVGAM-UHFFFAOYSA-N 0 1 380.473 3.335 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000124252965 1414921400 /nfs/dbraw/zinc/92/14/00/1414921400.db2.gz TWROJTZGEVQINQ-GOSISDBHSA-N 0 1 377.488 3.082 20 0 GGADMN CCc1c(NC(=O)c2ccc(C(=O)NC(C)C)cc2)[nH]nc1-c1ccncc1 ZINC000124266427 1414924876 /nfs/dbraw/zinc/92/48/76/1414924876.db2.gz FRKWNQMNFAQTAE-UHFFFAOYSA-N 0 1 377.448 3.425 20 0 GGADMN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000124271362 1414925771 /nfs/dbraw/zinc/92/57/71/1414925771.db2.gz PBIZWIVEZZIWPG-UHFFFAOYSA-N 0 1 392.459 3.376 20 0 GGADMN COc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826193796 1428848376 /nfs/dbraw/zinc/84/83/76/1428848376.db2.gz PKSVTFGCSPHXIR-HNNXBMFYSA-N 0 1 385.493 3.118 20 0 GGADMN CCOC(=O)C1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000124272052 1414926516 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3.133 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2nnc(C(C)(C)C)s2)N(C)C)c1 ZINC000125368214 1415178241 /nfs/dbraw/zinc/17/82/41/1415178241.db2.gz JXUAWIPCGWTAJS-CQSZACIVSA-N 0 1 377.514 3.269 20 0 GGADMN O=C([C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)N1CCCCC1 ZINC000125372265 1415179460 /nfs/dbraw/zinc/17/94/60/1415179460.db2.gz UZUBZFLTTWESGA-LSWJPFSZSA-N 0 1 395.547 3.216 20 0 GGADMN CCCCOc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000125444764 1415200401 /nfs/dbraw/zinc/20/04/01/1415200401.db2.gz MVXUHWNBDMYJJY-UHFFFAOYSA-N 0 1 397.523 3.334 20 0 GGADMN C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824627535 1428875361 /nfs/dbraw/zinc/87/53/61/1428875361.db2.gz YHTJQVDWTIRCOS-GFCCVEGCSA-N 0 1 381.390 3.181 20 0 GGADMN COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000821871758 1428875517 /nfs/dbraw/zinc/87/55/17/1428875517.db2.gz DCILIWMAQPDSDD-YJBOKZPZSA-N 0 1 378.480 3.195 20 0 GGADMN COC(=O)c1ccc([C@@H](C)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1 ZINC000125479926 1415211079 /nfs/dbraw/zinc/21/10/79/1415211079.db2.gz NJPIDVVOXCUFBV-CQSZACIVSA-N 0 1 388.439 3.295 20 0 GGADMN COC(=O)c1ccc([C@H](C)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1 ZINC000125479681 1415211273 /nfs/dbraw/zinc/21/12/73/1415211273.db2.gz NJPIDVVOXCUFBV-AWEZNQCLSA-N 0 1 388.439 3.295 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000125488583 1415212723 /nfs/dbraw/zinc/21/27/23/1415212723.db2.gz ZBAUNZDGDSORLS-OAHLLOKOSA-N 0 1 383.467 3.206 20 0 GGADMN COc1cc(F)c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000125492544 1415213240 /nfs/dbraw/zinc/21/32/40/1415213240.db2.gz QMMQBXQJMSZNCP-INIZCTEOSA-N 0 1 376.428 3.311 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000125506249 1415216181 /nfs/dbraw/zinc/21/61/81/1415216181.db2.gz ZVRMITVIBGPTCR-XYOKQWHBSA-N 0 1 392.547 3.461 20 0 GGADMN C[C@@H](NC(=O)c1cc(Cl)ccn1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000125513019 1415217977 /nfs/dbraw/zinc/21/79/77/1415217977.db2.gz NWKSJJQPRLKDBJ-CYBMUJFWSA-N 0 1 376.863 3.117 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(OC)c(OC)cc2Cl)N(C)C)c1 ZINC000125523144 1415220078 /nfs/dbraw/zinc/22/00/78/1415220078.db2.gz KZROULFSBWYDMZ-KRWDZBQOSA-N 0 1 392.883 3.399 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCCC1)c1cnc([C@H]2CCCO2)s1 ZINC000125527645 1415220692 /nfs/dbraw/zinc/22/06/92/1415220692.db2.gz ATUZCQKWWHEUJM-OAHLLOKOSA-N 0 1 395.594 3.476 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825128739 1428869372 /nfs/dbraw/zinc/86/93/72/1428869372.db2.gz YDDNKGZWPMMRHD-KRWDZBQOSA-N 0 1 396.495 3.358 20 0 GGADMN Cc1cccc2nc(CNC(=O)NCCc3nccn3Cc3ccccc3)[nH]c21 ZINC000125559221 1415226320 /nfs/dbraw/zinc/22/63/20/1415226320.db2.gz BICNGOZRICTLLK-UHFFFAOYSA-N 0 1 388.475 3.158 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCc3ccccc3F)n2)cc1 ZINC000125566350 1415227935 /nfs/dbraw/zinc/22/79/35/1415227935.db2.gz OXMMPVWYNVNLFD-LBPRGKRZSA-N 0 1 386.452 3.416 20 0 GGADMN CN1CC[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000125565526 1415227969 /nfs/dbraw/zinc/22/79/69/1415227969.db2.gz QWRRMMRLQPERKU-IFXJQAMLSA-N 0 1 397.922 3.141 20 0 GGADMN CN1CC[C@H](CNC(=O)CNC(=O)CC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000125565765 1415228072 /nfs/dbraw/zinc/22/80/72/1415228072.db2.gz QWRRMMRLQPERKU-AUUYWEPGSA-N 0 1 397.922 3.141 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000125568073 1415228581 /nfs/dbraw/zinc/22/85/81/1415228581.db2.gz CCOCXLZOBGTRKR-SUYBPPKGSA-N 0 1 397.922 3.139 20 0 GGADMN O=C(Nc1cccc(NS(=O)(=O)c2c[nH]c3ncccc32)c1)c1ccoc1 ZINC000125579860 1415230714 /nfs/dbraw/zinc/23/07/14/1415230714.db2.gz RJEWNUBJGWTWIO-UHFFFAOYSA-N 0 1 382.401 3.209 20 0 GGADMN FC(F)(F)c1cnc(C2CCN(Cc3cnn(-c4ccccc4)n3)CC2)[nH]1 ZINC000125585477 1415232549 /nfs/dbraw/zinc/23/25/49/1415232549.db2.gz XJDDRHWMMNLOIE-UHFFFAOYSA-N 0 1 376.386 3.389 20 0 GGADMN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1)c1ccoc1 ZINC000125591770 1415233559 /nfs/dbraw/zinc/23/35/59/1415233559.db2.gz NXYVKOMKFCYSPJ-UHFFFAOYSA-N 0 1 377.809 3.381 20 0 GGADMN Cc1c(NC(=O)c2ccccc2NS(C)(=O)=O)cnn1-c1cc(C)ccc1C ZINC000125612727 1415238375 /nfs/dbraw/zinc/23/83/75/1415238375.db2.gz AMJQPWZLMIHLLW-UHFFFAOYSA-N 0 1 398.488 3.421 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)n[nH]1 ZINC000125631112 1415241545 /nfs/dbraw/zinc/24/15/45/1415241545.db2.gz NWZHPQGHTTUOFC-OAHLLOKOSA-N 0 1 399.520 3.310 20 0 GGADMN Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000125636746 1415243098 /nfs/dbraw/zinc/24/30/98/1415243098.db2.gz WUTOZOUZFFGZEL-NRFANRHFSA-N 0 1 383.488 3.344 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000125637280 1415243312 /nfs/dbraw/zinc/24/33/12/1415243312.db2.gz UETCVZUHXXYVFI-NRFANRHFSA-N 0 1 383.488 3.344 20 0 GGADMN Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C)c1 ZINC000125636498 1415243322 /nfs/dbraw/zinc/24/33/22/1415243322.db2.gz WUTOZOUZFFGZEL-OAQYLSRUSA-N 0 1 383.488 3.344 20 0 GGADMN Cc1c(NC(=O)[C@H]2CCCN2C2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000125668758 1415250383 /nfs/dbraw/zinc/25/03/83/1415250383.db2.gz OUFLEDUWZSEXSI-HXUWFJFHSA-N 0 1 382.508 3.379 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H](CCO)c3ccccc3)n2)cc1 ZINC000177884747 1428883008 /nfs/dbraw/zinc/88/30/08/1428883008.db2.gz RVIGLFACUAGDQI-SFHVURJKSA-N 0 1 396.516 3.155 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H](CCO)c3ccccc3)n2)cc1 ZINC000177884731 1428883224 /nfs/dbraw/zinc/88/32/24/1428883224.db2.gz RVIGLFACUAGDQI-GOSISDBHSA-N 0 1 396.516 3.155 20 0 GGADMN COc1ccc2c(c1)[C@H](NCc1ccc(CS(C)(=O)=O)cc1)CCCO2 ZINC000125681395 1415253805 /nfs/dbraw/zinc/25/38/05/1415253805.db2.gz UFCBZEWMNGZHTQ-LJQANCHMSA-N 0 1 375.490 3.243 20 0 GGADMN Cc1ccc(-c2ncc(CNCc3cccc(OCC(=O)N(C)C)c3)s2)o1 ZINC000125684822 1415254152 /nfs/dbraw/zinc/25/41/52/1415254152.db2.gz VWZDPJPQSKDQBZ-UHFFFAOYSA-N 0 1 385.489 3.468 20 0 GGADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccncc1F ZINC000125728648 1415264036 /nfs/dbraw/zinc/26/40/36/1415264036.db2.gz ZCAPPUOJCYTABG-UHFFFAOYSA-N 0 1 391.450 3.190 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2=C(C)OCCC2)CC1 ZINC000125736172 1415266108 /nfs/dbraw/zinc/26/61/08/1415266108.db2.gz JKRFGXPFFULDPG-HNNXBMFYSA-N 0 1 375.488 3.229 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000177897363 1428886469 /nfs/dbraw/zinc/88/64/69/1428886469.db2.gz SDLXRSRORRNBRC-OAHLLOKOSA-N 0 1 388.489 3.051 20 0 GGADMN CCn1c(=O)[nH]nc1S(=O)(=O)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000177897457 1428886476 /nfs/dbraw/zinc/88/64/76/1428886476.db2.gz HHYXMYOGZIJSED-JTQLQIEISA-N 0 1 396.856 3.155 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000177897350 1428886617 /nfs/dbraw/zinc/88/66/17/1428886617.db2.gz SDLXRSRORRNBRC-HNNXBMFYSA-N 0 1 388.489 3.051 20 0 GGADMN C[C@@H](OC(=O)CN1CCN(c2ccccn2)CC1)c1nc2ccc(Cl)cc2[nH]1 ZINC000125753043 1415270661 /nfs/dbraw/zinc/27/06/61/1415270661.db2.gz WIPVGDQIBRXJEN-CQSZACIVSA-N 0 1 399.882 3.038 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CCN1CC(F)(F)F ZINC000125754104 1415270963 /nfs/dbraw/zinc/27/09/63/1415270963.db2.gz ORGGDEZBLWYSED-LLVKDONJSA-N 0 1 386.805 3.439 20 0 GGADMN CCCCN1C(=O)CC[C@H](C(=O)Nc2n[nH]c(CC)n2)[C@@H]1c1ccccc1OC ZINC000125763196 1415273310 /nfs/dbraw/zinc/27/33/10/1415273310.db2.gz BDTQFXSFXUOMTR-KXBFYZLASA-N 0 1 399.495 3.094 20 0 GGADMN CCCCN1C(=O)CC[C@H](C(=O)Nc2nc(CC)n[nH]2)[C@@H]1c1ccccc1OC ZINC000125763196 1415273313 /nfs/dbraw/zinc/27/33/13/1415273313.db2.gz BDTQFXSFXUOMTR-KXBFYZLASA-N 0 1 399.495 3.094 20 0 GGADMN CCc1n[nH]c(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 ZINC000125762078 1415273324 /nfs/dbraw/zinc/27/33/24/1415273324.db2.gz XGVXYVFOPFICAZ-UHFFFAOYSA-N 0 1 383.412 3.068 20 0 GGADMN CCc1nc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n[nH]1 ZINC000125762078 1415273329 /nfs/dbraw/zinc/27/33/29/1415273329.db2.gz XGVXYVFOPFICAZ-UHFFFAOYSA-N 0 1 383.412 3.068 20 0 GGADMN COC(=O)c1cc(CN(C)C[C@@H](O)c2cccc(Br)c2)oc1C ZINC000125774504 1415277191 /nfs/dbraw/zinc/27/71/91/1415277191.db2.gz IVJKXQPLFNQZSV-MRXNPFEDSA-N 0 1 382.254 3.303 20 0 GGADMN CCOc1cccc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)c1OC(F)F ZINC000125773725 1415277249 /nfs/dbraw/zinc/27/72/49/1415277249.db2.gz NPTRSFFTIGRSQW-HNNXBMFYSA-N 0 1 385.455 3.168 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000125773620 1415277335 /nfs/dbraw/zinc/27/73/35/1415277335.db2.gz GDGXRVKYVNQOBO-UHFFFAOYSA-N 0 1 381.411 3.128 20 0 GGADMN Nn1c(SCc2cccnc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000125774138 1415277449 /nfs/dbraw/zinc/27/74/49/1415277449.db2.gz WJCCWJUVHWJUOS-UHFFFAOYSA-N 0 1 383.868 3.390 20 0 GGADMN CCc1nnc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)[nH]1 ZINC000125776758 1415277840 /nfs/dbraw/zinc/27/78/40/1415277840.db2.gz KLZFZHXGTULTEP-UHFFFAOYSA-N 0 1 377.448 3.011 20 0 GGADMN CCc1n[nH]c(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000125776758 1415277848 /nfs/dbraw/zinc/27/78/48/1415277848.db2.gz KLZFZHXGTULTEP-UHFFFAOYSA-N 0 1 377.448 3.011 20 0 GGADMN CCc1nc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)n[nH]1 ZINC000125775452 1415277890 /nfs/dbraw/zinc/27/78/90/1415277890.db2.gz RGGBPASRTBXIHB-UHFFFAOYSA-N 0 1 399.476 3.037 20 0 GGADMN Nn1c(SCCc2ccncc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000125780306 1415279335 /nfs/dbraw/zinc/27/93/35/1415279335.db2.gz DAAAODQKSPIJQO-UHFFFAOYSA-N 0 1 397.895 3.432 20 0 GGADMN Nn1c(SC[C@H]2CCCCO2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000125782370 1415279647 /nfs/dbraw/zinc/27/96/47/1415279647.db2.gz BVJROEDFGIMAGW-CYBMUJFWSA-N 0 1 390.900 3.364 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000125785552 1415280376 /nfs/dbraw/zinc/28/03/76/1415280376.db2.gz WKVFSJILVJGPMQ-UHFFFAOYSA-N 0 1 381.411 3.128 20 0 GGADMN CCOCCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N ZINC000125790355 1415281442 /nfs/dbraw/zinc/28/14/42/1415281442.db2.gz NPMWTKHACWEITE-UHFFFAOYSA-N 0 1 378.889 3.221 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cccc(OCC(F)F)n2)N2CCCC2)o1 ZINC000125795799 1415283290 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O=S(=O)(Nc1cccnc1OCC(F)F)c1ccccc1OC(F)(F)F ZINC000125833181 1415292891 /nfs/dbraw/zinc/29/28/91/1415292891.db2.gz SRANARPHKIBNLZ-UHFFFAOYSA-N 0 1 398.309 3.425 20 0 GGADMN C[C@H](Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N)c1nc(C2CC2)no1 ZINC000125839354 1415294131 /nfs/dbraw/zinc/29/41/31/1415294131.db2.gz JCCXZALGVXFKRA-JTQLQIEISA-N 0 1 394.464 3.163 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1C(=O)N(C)C ZINC000177938288 1428895527 /nfs/dbraw/zinc/89/55/27/1428895527.db2.gz HSDTTWOZKICMDG-KRWDZBQOSA-N 0 1 394.519 3.265 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCSC(F)(F)F)n2)cc1 ZINC000177939056 1428895779 /nfs/dbraw/zinc/89/57/79/1428895779.db2.gz CTXIMVQDXUVHIR-UHFFFAOYSA-N 0 1 376.429 3.241 20 0 GGADMN Cc1ccc([C@H](OC[C@@H](O)CN(C)[C@@H](C)C[S@](C)=O)c2ccccc2)cc1 ZINC000125875189 1415302347 /nfs/dbraw/zinc/30/23/47/1415302347.db2.gz DGEFVWJSUCEQRX-HBRWFNOWSA-N 0 1 389.561 3.161 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c1 ZINC000125875722 1415302606 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COCc1nc2n(n1)C[C@@H](Nc1ccnc3cc(C(F)(F)F)ccc31)CC2 ZINC000126091787 1415355843 /nfs/dbraw/zinc/35/58/43/1415355843.db2.gz ONCLUVJYOJLGKU-LBPRGKRZSA-N 0 1 377.370 3.418 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)c1ccco1 ZINC000177934892 1428894830 /nfs/dbraw/zinc/89/48/30/1428894830.db2.gz ZCKDHFUDLKUEFF-SFHVURJKSA-N 0 1 386.496 3.494 20 0 GGADMN c1c(CN2CCC3(CC2)OCCO3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000126125396 1415364274 /nfs/dbraw/zinc/36/42/74/1415364274.db2.gz XXTGVJUMHXSARX-UHFFFAOYSA-N 0 1 390.487 3.332 20 0 GGADMN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C(N)=O)c1ccccc1 ZINC000126130273 1415365514 /nfs/dbraw/zinc/36/55/14/1415365514.db2.gz JCFHVGMRNNKORD-SJCJKPOMSA-N 0 1 395.381 3.119 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)N2CCCC2)cc1 ZINC000126147534 1415369761 /nfs/dbraw/zinc/36/97/61/1415369761.db2.gz SMPFLVYVRRGEQT-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000826217806 1428917259 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O=C(CN1CCN(CC2CC2)CC1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000126230626 1415389180 /nfs/dbraw/zinc/38/91/80/1415389180.db2.gz VPHAMZKNBFPJQN-QHCPKHFHSA-N 0 1 395.572 3.250 20 0 GGADMN CN(Cc1nccn1C(F)F)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000126232550 1415390038 /nfs/dbraw/zinc/39/00/38/1415390038.db2.gz XNSIVEOGABMIBG-CQSZACIVSA-N 0 1 381.427 3.240 20 0 GGADMN Cc1nc2ccc(NC(=O)NCCCN3CCN(c4ccccc4)CC3)cc2o1 ZINC000126251813 1415394682 /nfs/dbraw/zinc/39/46/82/1415394682.db2.gz VWLKQJOALFDTDA-UHFFFAOYSA-N 0 1 393.491 3.470 20 0 GGADMN C[C@H](CC(=O)N(C)c1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177970870 1428908266 /nfs/dbraw/zinc/90/82/66/1428908266.db2.gz CMBFRRLKWQHABL-OAHLLOKOSA-N 0 1 394.924 3.145 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000177973039 1428908886 /nfs/dbraw/zinc/90/88/86/1428908886.db2.gz GEULXNKCIUCQDT-VQTJNVASSA-N 0 1 388.556 3.281 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cnn(Cc2ccccc2)c1 ZINC000126271859 1415399386 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Cc1ccc([C@@H](CNC(=O)NC[C@@H](O)c2ccccc2Cl)N2CCCC2)o1 ZINC000126435345 1415453016 /nfs/dbraw/zinc/45/30/16/1415453016.db2.gz SCUGQHHYHOUMLJ-QZTJIDSGSA-N 0 1 391.899 3.411 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@@H](O)c2c(F)cccc2F)N2CCCC2)o1 ZINC000126434637 1415453044 /nfs/dbraw/zinc/45/30/44/1415453044.db2.gz BRHNCWOFGFSMPW-DLBZAZTESA-N 0 1 393.434 3.036 20 0 GGADMN O=C(COc1ccc2c(c1)CCCC2)NC1CCN(Cc2ccncc2)CC1 ZINC000178010634 1428933076 /nfs/dbraw/zinc/93/30/76/1428933076.db2.gz SBLDMWOQJHKGQD-UHFFFAOYSA-N 0 1 379.504 3.120 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000126454309 1415457424 /nfs/dbraw/zinc/45/74/24/1415457424.db2.gz LNCJTZUVZPPYQZ-UHFFFAOYSA-N 0 1 384.501 3.454 20 0 GGADMN Cc1sc(=O)n(CC(=O)Nc2ccc(CN3CCSCC3)cc2C)c1C ZINC000126453856 1415457442 /nfs/dbraw/zinc/45/74/42/1415457442.db2.gz NKGHBTPLEOLZBB-UHFFFAOYSA-N 0 1 391.562 3.023 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 ZINC000126454835 1415457620 /nfs/dbraw/zinc/45/76/20/1415457620.db2.gz BKUQCWYRJVOMRE-HNNXBMFYSA-N 0 1 378.476 3.140 20 0 GGADMN NC(=O)c1ccccc1NC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177996851 1428922377 /nfs/dbraw/zinc/92/23/77/1428922377.db2.gz WXCNOKDUODKQAK-NQIIRXRSSA-N 0 1 395.503 3.092 20 0 GGADMN Cc1nnc(-c2ccccc2C(=O)NC[C@@H](C)N2CCc3ccccc3C2)o1 ZINC000126485038 1415467452 /nfs/dbraw/zinc/46/74/52/1415467452.db2.gz YENYPPZHLRIUQZ-OAHLLOKOSA-N 0 1 376.460 3.222 20 0 GGADMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177997822 1428923844 /nfs/dbraw/zinc/92/38/44/1428923844.db2.gz XEJNQHYUNYWNFY-QGZVFWFLSA-N 0 1 381.476 3.343 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)c1C1CC1 ZINC000126501281 1415471685 /nfs/dbraw/zinc/47/16/85/1415471685.db2.gz KMYUHXHICBYBLJ-ZDUSSCGKSA-N 0 1 394.479 3.455 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)c1C1CC1 ZINC000126501281 1415471694 /nfs/dbraw/zinc/47/16/94/1415471694.db2.gz KMYUHXHICBYBLJ-ZDUSSCGKSA-N 0 1 394.479 3.455 20 0 GGADMN C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000824976816 1428924172 /nfs/dbraw/zinc/92/41/72/1428924172.db2.gz PAKMNPKYLDVUCO-YSGRDPCXSA-N 0 1 388.475 3.055 20 0 GGADMN C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[C@@H]1c1ccccc1 ZINC000824976816 1428924178 /nfs/dbraw/zinc/92/41/78/1428924178.db2.gz PAKMNPKYLDVUCO-YSGRDPCXSA-N 0 1 388.475 3.055 20 0 GGADMN C[C@@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000126507938 1415473673 /nfs/dbraw/zinc/47/36/73/1415473673.db2.gz CMZPOMIVVZWSKC-AEFFLSMTSA-N 0 1 385.430 3.148 20 0 GGADMN C[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000126508196 1415473703 /nfs/dbraw/zinc/47/37/03/1415473703.db2.gz CMZPOMIVVZWSKC-FUHWJXTLSA-N 0 1 385.430 3.148 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1Cc1ccccc1 ZINC000126512323 1415474806 /nfs/dbraw/zinc/47/48/06/1415474806.db2.gz ODZQTDNCSJRTAZ-LMMKCTJWSA-N 0 1 385.533 3.475 20 0 GGADMN Cc1c([C@H](C)NCCc2nnc3n2CCCCC3)nnn1-c1cccc(Cl)c1 ZINC000126516894 1415475752 /nfs/dbraw/zinc/47/57/52/1415475752.db2.gz NYPBRZUOALZDNJ-AWEZNQCLSA-N 0 1 399.930 3.440 20 0 GGADMN NC(=O)CNC(=O)c1ccc(CNCc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000126519777 1415476227 /nfs/dbraw/zinc/47/62/27/1415476227.db2.gz JDICOQYLRTXMMW-UHFFFAOYSA-N 0 1 397.862 3.105 20 0 GGADMN CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824300948 1428924823 /nfs/dbraw/zinc/92/48/23/1428924823.db2.gz NQYBNZMCDHWMTA-HNNXBMFYSA-N 0 1 378.480 3.099 20 0 GGADMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000126535062 1415481138 /nfs/dbraw/zinc/48/11/38/1415481138.db2.gz ZBNUPZOLTGHKLH-KXBFYZLASA-N 0 1 398.482 3.114 20 0 GGADMN O=C(c1cc(-c2ccc3c(c2)CCO3)no1)N1CCN(C2CCCCC2)CC1 ZINC000126540843 1415483849 /nfs/dbraw/zinc/48/38/49/1415483849.db2.gz HCKZXVPYHKLNHY-UHFFFAOYSA-N 0 1 381.476 3.367 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(-n5cccn5)ccn4)C3)[nH]c2c1 ZINC000126571774 1415495876 /nfs/dbraw/zinc/49/58/76/1415495876.db2.gz RISKFODSANXXCU-INIZCTEOSA-N 0 1 386.459 3.472 20 0 GGADMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000126630725 1415512120 /nfs/dbraw/zinc/51/21/20/1415512120.db2.gz PAMDNYBLJIJSAH-IRXDYDNUSA-N 0 1 393.528 3.472 20 0 GGADMN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000126631345 1415512414 /nfs/dbraw/zinc/51/24/14/1415512414.db2.gz PAMDNYBLJIJSAH-IAGOWNOFSA-N 0 1 393.528 3.472 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)N2CCN(C(C)C)CC2)cc1Cl ZINC000126633814 1415512759 /nfs/dbraw/zinc/51/27/59/1415512759.db2.gz HTYGXOGETUKBRB-UHFFFAOYSA-N 0 1 380.920 3.380 20 0 GGADMN CC[C@H](C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1)N(C)C ZINC000126635229 1415513229 /nfs/dbraw/zinc/51/32/29/1415513229.db2.gz SGKGQDNIYRVDCF-GOSISDBHSA-N 0 1 388.537 3.158 20 0 GGADMN O=C(CCN1CCN(c2cccc(O)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000126643640 1415515468 /nfs/dbraw/zinc/51/54/68/1415515468.db2.gz HUTOOATUJNVSSK-QFIPXVFZSA-N 0 1 379.504 3.098 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cnc(Cl)c(C)c1)c1ccsc1 ZINC000126653565 1415518273 /nfs/dbraw/zinc/51/82/73/1415518273.db2.gz DWEPSPDIGKRSAM-OAHLLOKOSA-N 0 1 394.928 3.243 20 0 GGADMN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)c2)n1 ZINC000126675569 1415523820 /nfs/dbraw/zinc/52/38/20/1415523820.db2.gz NRLGEGXZMSQSEO-WMLDXEAASA-N 0 1 398.507 3.134 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826503083 1428940983 /nfs/dbraw/zinc/94/09/83/1428940983.db2.gz QGZCCEDZBDFYAM-PKOBYXMFSA-N 0 1 385.418 3.233 20 0 GGADMN CC[C@H](C)[C@H](NCC(=O)Nc1cc2oc3ccccc3c2cc1OC)C(N)=O ZINC000126704977 1415531965 /nfs/dbraw/zinc/53/19/65/1415531965.db2.gz MCNMSUOJDGTZID-YUNKPMOVSA-N 0 1 383.448 3.023 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)nn2C)N2CCCC2)cc1 ZINC000126706578 1415533443 /nfs/dbraw/zinc/53/34/43/1415533443.db2.gz HDCLTGYGFYLCIA-LJQANCHMSA-N 0 1 384.524 3.293 20 0 GGADMN CC[C@@H](CO)N1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CC1 ZINC000126717135 1415537207 /nfs/dbraw/zinc/53/72/07/1415537207.db2.gz GVCJLQNVERZHLD-SFHVURJKSA-N 0 1 385.512 3.051 20 0 GGADMN O=c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c2ccc([O-])cc2o1 ZINC000126718646 1415538384 /nfs/dbraw/zinc/53/83/84/1415538384.db2.gz XRBFNXYUBNZVNF-HNNXBMFYSA-N 0 1 394.475 3.196 20 0 GGADMN O=c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c2ccc([O-])cc2o1 ZINC000126718646 1415538388 /nfs/dbraw/zinc/53/83/88/1415538388.db2.gz XRBFNXYUBNZVNF-HNNXBMFYSA-N 0 1 394.475 3.196 20 0 GGADMN COc1cc(CN[C@@H]2CCCOc3c(Cl)cccc32)ccc1OCC(N)=O ZINC000178028112 1428943993 /nfs/dbraw/zinc/94/39/93/1428943993.db2.gz VLRMMOZKJSEMRL-MRXNPFEDSA-N 0 1 390.867 3.216 20 0 GGADMN C[C@H](N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)NC(=O)NC1CC1 ZINC000126728413 1415541097 /nfs/dbraw/zinc/54/10/97/1415541097.db2.gz QXUPCQFSKQIHBO-DJJJIMSYSA-N 0 1 387.430 3.215 20 0 GGADMN O=C(Cc1cccc(F)c1)N1CCCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000178031545 1428945532 /nfs/dbraw/zinc/94/55/32/1428945532.db2.gz YEVBKANRSQCCJT-HXUWFJFHSA-N 0 1 390.886 3.290 20 0 GGADMN CC[C@H](C)N(CC(=O)Nc1cc(-n2nnnc2C)ccc1F)Cc1ccccc1 ZINC000178031445 1428945560 /nfs/dbraw/zinc/94/55/60/1428945560.db2.gz KBPPDFKNZAZBCH-HNNXBMFYSA-N 0 1 396.470 3.349 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C[C@@H]1CCOC1)C1CC1)N1CCCC1 ZINC000126761313 1415551274 /nfs/dbraw/zinc/55/12/74/1415551274.db2.gz IGEXXEBDSACLET-PXNSSMCTSA-N 0 1 387.524 3.043 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)n[nH]1 ZINC000126762044 1415551976 /nfs/dbraw/zinc/55/19/76/1415551976.db2.gz GRERZDWPYXNANB-INIZCTEOSA-N 0 1 378.270 3.338 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1)c1cccc(F)c1 ZINC000126786497 1415558279 /nfs/dbraw/zinc/55/82/79/1415558279.db2.gz VZWDKUGMUOUZST-JTHBVZDNSA-N 0 1 397.494 3.312 20 0 GGADMN O=C(Cc1ccc(Cl)cc1Cl)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126788603 1415559092 /nfs/dbraw/zinc/55/90/92/1415559092.db2.gz VTRZKSVTAWXHLC-QZTJIDSGSA-N 0 1 393.314 3.288 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126804880 1415565391 /nfs/dbraw/zinc/56/53/91/1415565391.db2.gz MADZPZGCFDODOJ-VQTJNVASSA-N 0 1 393.462 3.048 20 0 GGADMN CC[NH+]1CCN(c2ccccc2N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825465978 1428949100 /nfs/dbraw/zinc/94/91/00/1428949100.db2.gz VBYXKEJLLHRRFP-MRXNPFEDSA-N 0 1 377.496 3.182 20 0 GGADMN CN(CC1CCCCC1)C(=O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178059594 1428961948 /nfs/dbraw/zinc/96/19/48/1428961948.db2.gz LNNLFKWVBFKIIC-HXUWFJFHSA-N 0 1 385.552 3.167 20 0 GGADMN Cc1ccc(-c2nc(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cs2)o1 ZINC000126828145 1415574967 /nfs/dbraw/zinc/57/49/67/1415574967.db2.gz OHAQUJNMMOKRLU-IAGOWNOFSA-N 0 1 397.500 3.077 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cccc(OC2CCCC2)c1)N1CCN(C)CC1 ZINC000126835255 1415578545 /nfs/dbraw/zinc/57/85/45/1415578545.db2.gz UZGQHTDDWHFTOD-NRFANRHFSA-N 0 1 388.556 3.402 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736056208 1428951494 /nfs/dbraw/zinc/95/14/94/1428951494.db2.gz LGDDPIWMDWAWKO-ZDUSSCGKSA-N 0 1 384.871 3.022 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)c1cccc(F)c1 ZINC000126842588 1415581545 /nfs/dbraw/zinc/58/15/45/1415581545.db2.gz UCWUKXMQBAUDHF-FQEVSTJZSA-N 0 1 398.482 3.373 20 0 GGADMN CC(C)(C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000126857253 1415586422 /nfs/dbraw/zinc/58/64/22/1415586422.db2.gz FDMXBSOIAQKMFD-QZTJIDSGSA-N 0 1 386.923 3.369 20 0 GGADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178042635 1428953118 /nfs/dbraw/zinc/95/31/18/1428953118.db2.gz YJEVTAPUKRVDDH-SBHAEUEKSA-N 0 1 385.552 3.166 20 0 GGADMN Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(Cl)cc1F ZINC000126868856 1415590162 /nfs/dbraw/zinc/59/01/62/1415590162.db2.gz RMFSTEZIPYBKAO-JKSUJKDBSA-N 0 1 376.859 3.153 20 0 GGADMN Cc1cc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(Cl)cc1F ZINC000126868388 1415590712 /nfs/dbraw/zinc/59/07/12/1415590712.db2.gz RMFSTEZIPYBKAO-HOTGVXAUSA-N 0 1 376.859 3.153 20 0 GGADMN Cc1[nH]c(SCC(=O)NCCc2ccncc2C)nc1Cc1ccccc1 ZINC000126883299 1415594830 /nfs/dbraw/zinc/59/48/30/1415594830.db2.gz SEDAEHKNURWNCG-UHFFFAOYSA-N 0 1 380.517 3.463 20 0 GGADMN COC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000126890453 1415596364 /nfs/dbraw/zinc/59/63/64/1415596364.db2.gz VXULCXIAABEZCD-SJORKVTESA-N 0 1 385.430 3.004 20 0 GGADMN COC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000126890709 1415597064 /nfs/dbraw/zinc/59/70/64/1415597064.db2.gz VXULCXIAABEZCD-IAGOWNOFSA-N 0 1 385.430 3.004 20 0 GGADMN Cc1c([C@H](C)NCc2cccc(OCC(N)=O)c2)cnn1-c1ccc(F)cc1 ZINC000178045766 1428954897 /nfs/dbraw/zinc/95/48/97/1428954897.db2.gz PBHHKNUKDJLTBB-AWEZNQCLSA-N 0 1 382.439 3.035 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126896967 1415598461 /nfs/dbraw/zinc/59/84/61/1415598461.db2.gz PHLWUKHDEMKVOQ-SJORKVTESA-N 0 1 397.500 3.077 20 0 GGADMN C[C@@]1(CO)CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000126895576 1415598576 /nfs/dbraw/zinc/59/85/76/1415598576.db2.gz AFEPAAQWVTYQOP-IEBWSBKVSA-N 0 1 399.457 3.084 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000126906921 1415602296 /nfs/dbraw/zinc/60/22/96/1415602296.db2.gz QGKVDUZXJRLABU-UHFFFAOYSA-N 0 1 389.399 3.264 20 0 GGADMN O=C(N1CCN(C2CCOCC2)CC1)C1(c2ccc(F)cc2F)CCCC1 ZINC000126908899 1415603486 /nfs/dbraw/zinc/60/34/86/1415603486.db2.gz DHWWGJFPCLJHMM-UHFFFAOYSA-N 0 1 378.463 3.100 20 0 GGADMN CC(C)(C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)[C@H]1CCCCO1 ZINC000824158427 1428956731 /nfs/dbraw/zinc/95/67/31/1428956731.db2.gz WNNIQDFMSGVAKL-HXUWFJFHSA-N 0 1 398.555 3.016 20 0 GGADMN C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126947769 1415616572 /nfs/dbraw/zinc/61/65/72/1415616572.db2.gz OEVFXNBIXWWRAW-AHRSYUTCSA-N 0 1 386.923 3.270 20 0 GGADMN CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ncccc3O)n2)cc1 ZINC000126954597 1415617877 /nfs/dbraw/zinc/61/78/77/1415617877.db2.gz BIHGXLVCPGXVRZ-UHFFFAOYSA-N 0 1 396.472 3.232 20 0 GGADMN CC[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000126964380 1415619801 /nfs/dbraw/zinc/61/98/01/1415619801.db2.gz SHDSEWDRYWNRNO-IBGZPJMESA-N 0 1 393.940 3.261 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000126963674 1415619915 /nfs/dbraw/zinc/61/99/15/1415619915.db2.gz VGXZXFBBPXEQMK-HZPDHXFCSA-N 0 1 396.384 3.210 20 0 GGADMN COC(=O)c1oc(CN2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)cc1C ZINC000178057308 1428959923 /nfs/dbraw/zinc/95/99/23/1428959923.db2.gz NWDGYDXDSPLHAL-HNNXBMFYSA-N 0 1 388.464 3.468 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2nc(C)ccc2OC)N2CCCC2)c1 ZINC000126972792 1415622185 /nfs/dbraw/zinc/62/21/85/1415622185.db2.gz HOAUMCVPGKQMQD-GOSISDBHSA-N 0 1 384.480 3.366 20 0 GGADMN COC(=O)c1oc(CN2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)cc1C ZINC000178057322 1428960787 /nfs/dbraw/zinc/96/07/87/1428960787.db2.gz NWDGYDXDSPLHAL-OAHLLOKOSA-N 0 1 388.464 3.468 20 0 GGADMN O=C(CN1CCC[C@H](CNC(=O)c2ccccc2)C1)NCc1ccc(Cl)cc1 ZINC000178058802 1428961327 /nfs/dbraw/zinc/96/13/27/1428961327.db2.gz OKHCXTKSOVKSBD-GOSISDBHSA-N 0 1 399.922 3.098 20 0 GGADMN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000126997652 1415630805 /nfs/dbraw/zinc/63/08/05/1415630805.db2.gz HRODSYLRQJZMKZ-FUHWJXTLSA-N 0 1 393.528 3.472 20 0 GGADMN CC[C@H](C)Oc1ccc(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127008648 1415633352 /nfs/dbraw/zinc/63/33/52/1415633352.db2.gz YBFMCOUDVBVFIT-WMQCIHAUSA-N 0 1 382.504 3.229 20 0 GGADMN Cc1nc(-c2ccccc2)oc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127016395 1415637644 /nfs/dbraw/zinc/63/76/44/1415637644.db2.gz LOOOTAQMFAYBES-WOJBJXKFSA-N 0 1 391.471 3.015 20 0 GGADMN Cc1cc2cc(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)oc2cc1C ZINC000127016630 1415638018 /nfs/dbraw/zinc/63/80/18/1415638018.db2.gz RENFWNBGWCVZBO-PMACEKPBSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1ccc2c(CC(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)coc2c1C ZINC000127041742 1415646509 /nfs/dbraw/zinc/64/65/09/1415646509.db2.gz GYXVWYDCLPOGDI-LEWJYISDSA-N 0 1 392.499 3.344 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)c2cccnc12 ZINC000127066735 1415652195 /nfs/dbraw/zinc/65/21/95/1415652195.db2.gz BVLLPGULEIVNGX-IAGOWNOFSA-N 0 1 395.890 3.253 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NCC(=O)NCc1ccccc1Cn1cccn1 ZINC000127080410 1415656899 /nfs/dbraw/zinc/65/68/99/1415656899.db2.gz GBDIXOFNZYEUAR-GOSISDBHSA-N 0 1 392.503 3.215 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)n1 ZINC000178074990 1428970749 /nfs/dbraw/zinc/97/07/49/1428970749.db2.gz DNYCULGKBWULQQ-CQSZACIVSA-N 0 1 387.505 3.098 20 0 GGADMN C/C(=C\C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000178074637 1428970914 /nfs/dbraw/zinc/97/09/14/1428970914.db2.gz UPJHLYFVYQBRIK-STTHAQSSSA-N 0 1 382.426 3.289 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000178077230 1428971523 /nfs/dbraw/zinc/97/15/23/1428971523.db2.gz GMYFKNZUNVUPGP-CQSZACIVSA-N 0 1 377.410 3.103 20 0 GGADMN CCCOc1ccc(CCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127106251 1415661535 /nfs/dbraw/zinc/66/15/35/1415661535.db2.gz OIJNGOGMLQBJGG-YADHBBJMSA-N 0 1 396.531 3.160 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000127120675 1415664532 /nfs/dbraw/zinc/66/45/32/1415664532.db2.gz FJGFUZSIHYYHKQ-MSOLQXFVSA-N 0 1 379.863 3.115 20 0 GGADMN C[NH+](C)CCCOc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736767916 1428972191 /nfs/dbraw/zinc/97/21/91/1428972191.db2.gz UJRIGNMSGTXMBG-UHFFFAOYSA-N 0 1 386.887 3.463 20 0 GGADMN Cc1ccc(S[C@H](C)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127152565 1415673233 /nfs/dbraw/zinc/67/32/33/1415673233.db2.gz OAJSPOFHCNWWPX-HOJAQTOUSA-N 0 1 384.545 3.227 20 0 GGADMN CCc1ncc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cn1 ZINC000127155039 1415673755 /nfs/dbraw/zinc/67/37/55/1415673755.db2.gz KDQSOXXFLMFSAP-CQSZACIVSA-N 0 1 391.357 3.087 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)C2)CC1 ZINC000127156217 1415674490 /nfs/dbraw/zinc/67/44/90/1415674490.db2.gz BERPVWPQNZRVJP-SFHVURJKSA-N 0 1 383.458 3.034 20 0 GGADMN Cc1cc2[nH]c(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)cc2c(C)c1 ZINC000127163510 1415675480 /nfs/dbraw/zinc/67/54/80/1415675480.db2.gz ACOHVVWXLAVYTB-OALUTQOASA-N 0 1 377.488 3.150 20 0 GGADMN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178088301 1428976439 /nfs/dbraw/zinc/97/64/39/1428976439.db2.gz RDEXDLIFFLPLRK-QGZVFWFLSA-N 0 1 386.467 3.199 20 0 GGADMN O=C(CCSCc1ccccn1)NCCCN1CCN(c2ccccc2)CC1 ZINC000127175783 1415678864 /nfs/dbraw/zinc/67/88/64/1415678864.db2.gz OBRFONSJIRGQLA-UHFFFAOYSA-N 0 1 398.576 3.033 20 0 GGADMN Cc1cccc(OCCCCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000127177004 1415679254 /nfs/dbraw/zinc/67/92/54/1415679254.db2.gz YOVHKURDDXEPGT-FGZHOGPDSA-N 0 1 396.531 3.296 20 0 GGADMN COc1ccc(CCCCC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000127177650 1415679271 /nfs/dbraw/zinc/67/92/71/1415679271.db2.gz PLHVYMXPBCDHKP-FCHUYYIVSA-N 0 1 396.531 3.160 20 0 GGADMN COc1cccc(NC(=O)C(C#N)C(=O)c2csc(Br)c2)c1 ZINC000127176113 1415679293 /nfs/dbraw/zinc/67/92/93/1415679293.db2.gz JPPYWDQIRZDGCU-LBPRGKRZSA-N 0 1 379.235 3.480 20 0 GGADMN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178084904 1428975403 /nfs/dbraw/zinc/97/54/03/1428975403.db2.gz NSDZHMGDEDDRRO-OAHLLOKOSA-N 0 1 383.467 3.046 20 0 GGADMN CC[C@H](Sc1ccccc1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127187718 1415681638 /nfs/dbraw/zinc/68/16/38/1415681638.db2.gz GFJIRQNSFVVGGT-DYXWJJEUSA-N 0 1 384.545 3.309 20 0 GGADMN O=C(N[C@H](C1CCCC1)C(F)(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000127188474 1415681709 /nfs/dbraw/zinc/68/17/09/1415681709.db2.gz FIVNZOLTKAJSQB-QGZVFWFLSA-N 0 1 384.446 3.466 20 0 GGADMN O=C(N[C@@H](C1CCCC1)C(F)(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000127188252 1415681905 /nfs/dbraw/zinc/68/19/05/1415681905.db2.gz FIVNZOLTKAJSQB-KRWDZBQOSA-N 0 1 384.446 3.466 20 0 GGADMN C[C@H](CCc1ccccc1F)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127189408 1415682289 /nfs/dbraw/zinc/68/22/89/1415682289.db2.gz JZQOZSSMEOOWRM-UIFIKXQLSA-N 0 1 384.495 3.146 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[C@@H](CO)CC1)N1CCCCC1 ZINC000127194280 1415683017 /nfs/dbraw/zinc/68/30/17/1415683017.db2.gz BXGFBFCSKNLYQP-BJLQDIEVSA-N 0 1 389.540 3.073 20 0 GGADMN COc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(OC)c1OC ZINC000127195781 1415683885 /nfs/dbraw/zinc/68/38/85/1415683885.db2.gz WDLWSISBYNGDPR-OAHLLOKOSA-N 0 1 382.464 3.486 20 0 GGADMN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178088288 1428976492 /nfs/dbraw/zinc/97/64/92/1428976492.db2.gz RDEXDLIFFLPLRK-KRWDZBQOSA-N 0 1 386.467 3.199 20 0 GGADMN O=C(NC[C@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1)c1ccccc1 ZINC000178060984 1428963128 /nfs/dbraw/zinc/96/31/28/1428963128.db2.gz IJOLOLPPUPOGNG-XMSQKQJNSA-N 0 1 391.515 3.148 20 0 GGADMN C[C@@H](C(=O)NCC1CCCCC1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178061113 1428963154 /nfs/dbraw/zinc/96/31/54/1428963154.db2.gz MFZUBPPUWQIUAF-AZUAARDMSA-N 0 1 385.552 3.213 20 0 GGADMN CC[C@@H]1CN(C)c2ccccc2CN1CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000127220589 1415692216 /nfs/dbraw/zinc/69/22/16/1415692216.db2.gz QAFBCFOECOTMTI-HXUWFJFHSA-N 0 1 380.492 3.314 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N2CCC(OC3CCCCC3)CC2)C[C@H](C)O1 ZINC000127225542 1415693651 /nfs/dbraw/zinc/69/36/51/1415693651.db2.gz LZRPLQXKVBADOZ-ROUUACIJSA-N 0 1 381.561 3.009 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000127244705 1415700906 /nfs/dbraw/zinc/70/09/06/1415700906.db2.gz ZLZYDZQVPKAENU-QZTJIDSGSA-N 0 1 379.863 3.115 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000127244456 1415701236 /nfs/dbraw/zinc/70/12/36/1415701236.db2.gz ZLZYDZQVPKAENU-ZWKOTPCHSA-N 0 1 379.863 3.115 20 0 GGADMN O=C(N1CCN(C[C@H]2CCOC2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000178090014 1428977482 /nfs/dbraw/zinc/97/74/82/1428977482.db2.gz OTESSBLHVQFTAT-QGZVFWFLSA-N 0 1 376.928 3.333 20 0 GGADMN O=C(c1ccc(C2SCCCS2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178093045 1428978057 /nfs/dbraw/zinc/97/80/57/1428978057.db2.gz MXVPOQMOOWDBSB-INIZCTEOSA-N 0 1 392.590 3.350 20 0 GGADMN CCn1c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc2ccccc21 ZINC000127267362 1415709995 /nfs/dbraw/zinc/70/99/95/1415709995.db2.gz NMHJKFPDDQFQEY-WOJBJXKFSA-N 0 1 377.488 3.026 20 0 GGADMN CCn1c(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc2ccccc21 ZINC000127267362 1415710004 /nfs/dbraw/zinc/71/00/04/1415710004.db2.gz NMHJKFPDDQFQEY-WOJBJXKFSA-N 0 1 377.488 3.026 20 0 GGADMN O=C(NCc1ccc(O)cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000127267500 1415710096 /nfs/dbraw/zinc/71/00/96/1415710096.db2.gz YNKPBUWLUGGVHR-IBGZPJMESA-N 0 1 378.394 3.463 20 0 GGADMN COc1ccc(-c2ccc(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)c(F)c2)cc1 ZINC000178091823 1428978241 /nfs/dbraw/zinc/97/82/41/1428978241.db2.gz JCEMTNFNNXBQAL-KRWDZBQOSA-N 0 1 398.478 3.296 20 0 GGADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(C[C@H]4CCOC4)CC3)c2c1 ZINC000178091202 1428978256 /nfs/dbraw/zinc/97/82/56/1428978256.db2.gz UNDJIYHWPXDKNS-QGZVFWFLSA-N 0 1 379.504 3.215 20 0 GGADMN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000127273383 1415712854 /nfs/dbraw/zinc/71/28/54/1415712854.db2.gz XFQJDUKKVYVMNI-SJLPKXTDSA-N 0 1 388.899 3.048 20 0 GGADMN Cc1nc(-c2ccco2)ccc1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127273028 1415713005 /nfs/dbraw/zinc/71/30/05/1415713005.db2.gz KDRMENIUJBEHBO-RBUKOAKNSA-N 0 1 391.471 3.015 20 0 GGADMN O=C(Cc1cc(Cl)ccc1Cl)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127276787 1415714911 /nfs/dbraw/zinc/71/49/11/1415714911.db2.gz ROVUTEFCJOGPQS-QZTJIDSGSA-N 0 1 393.314 3.288 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000127281671 1415718047 /nfs/dbraw/zinc/71/80/47/1415718047.db2.gz CSBFQJVTKZUVLP-PMACEKPBSA-N 0 1 391.471 3.015 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)n(-c2ccc(C)nn2)n1 ZINC000127286710 1415719019 /nfs/dbraw/zinc/71/90/19/1415719019.db2.gz YZLGESPLCBIBNT-UHFFFAOYSA-N 0 1 397.382 3.099 20 0 GGADMN COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000127285714 1415719577 /nfs/dbraw/zinc/71/95/77/1415719577.db2.gz PFRNQGSPMHESSQ-MRXNPFEDSA-N 0 1 386.492 3.364 20 0 GGADMN COc1ccc([C@@H](C)N(C)CC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000127285714 1415719590 /nfs/dbraw/zinc/71/95/90/1415719590.db2.gz PFRNQGSPMHESSQ-MRXNPFEDSA-N 0 1 386.492 3.364 20 0 GGADMN O=C(CCc1cccc(OC2CCCC2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178098168 1428980221 /nfs/dbraw/zinc/98/02/21/1428980221.db2.gz AWTJBSZPYPUQAD-FQEVSTJZSA-N 0 1 386.536 3.121 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)NC(C)(C)C ZINC000178098005 1428980440 /nfs/dbraw/zinc/98/04/40/1428980440.db2.gz HRRDZIRZBGBMFO-LSDHHAIUSA-N 0 1 380.554 3.357 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000178099463 1428981087 /nfs/dbraw/zinc/98/10/87/1428981087.db2.gz WTILITRSSLBIMG-PRZSKXEOSA-N 0 1 394.556 3.234 20 0 GGADMN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178100128 1428981147 /nfs/dbraw/zinc/98/11/47/1428981147.db2.gz OSRHHDGUPUVGDB-FQEVSTJZSA-N 0 1 378.516 3.389 20 0 GGADMN Cc1ccc(C)c(SCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000127298323 1415725671 /nfs/dbraw/zinc/72/56/71/1415725671.db2.gz JJYCQVRYGNCXMF-PMACEKPBSA-N 0 1 384.545 3.147 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000127301254 1415726656 /nfs/dbraw/zinc/72/66/56/1415726656.db2.gz LMWQEPDOBCBLIL-MSOLQXFVSA-N 0 1 378.394 3.071 20 0 GGADMN CCCn1c(C)c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000178102689 1428982352 /nfs/dbraw/zinc/98/23/52/1428982352.db2.gz OWFLXEIRTCMRKC-GOSISDBHSA-N 0 1 399.535 3.163 20 0 GGADMN CCS[C@H](C)c1noc(CN(C)C(=O)NC[C@@H](c2cccs2)N(C)C)n1 ZINC000178102550 1428982541 /nfs/dbraw/zinc/98/25/41/1428982541.db2.gz FEFHFYABKGMNOW-OLZOCXBDSA-N 0 1 397.570 3.390 20 0 GGADMN CCCn1c(C)c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000178102675 1428982572 /nfs/dbraw/zinc/98/25/72/1428982572.db2.gz OWFLXEIRTCMRKC-SFHVURJKSA-N 0 1 399.535 3.163 20 0 GGADMN C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000178104015 1428983169 /nfs/dbraw/zinc/98/31/69/1428983169.db2.gz MLZZFLXWIVFZKO-CVEARBPZSA-N 0 1 384.442 3.380 20 0 GGADMN C[C@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000178104040 1428983253 /nfs/dbraw/zinc/98/32/53/1428983253.db2.gz MLZZFLXWIVFZKO-HZPDHXFCSA-N 0 1 384.442 3.380 20 0 GGADMN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000127322013 1415736575 /nfs/dbraw/zinc/73/65/75/1415736575.db2.gz BXBICVXTGVECQY-FGZHOGPDSA-N 0 1 385.552 3.152 20 0 GGADMN Cc1ccc(CN2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000127323914 1415737356 /nfs/dbraw/zinc/73/73/56/1415737356.db2.gz BLRNBAAKGBJXMD-UHFFFAOYSA-N 0 1 398.887 3.421 20 0 GGADMN COc1ccc([C@@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)N2CCCC2)cc1 ZINC000127325173 1415737379 /nfs/dbraw/zinc/73/73/79/1415737379.db2.gz VYUBRTANYJFTRO-TZIWHRDSSA-N 0 1 384.451 3.091 20 0 GGADMN COc1c(C)ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1C ZINC000178107090 1428984366 /nfs/dbraw/zinc/98/43/66/1428984366.db2.gz DEEXEQNDCQCSQD-TZIWHRDSSA-N 0 1 397.519 3.317 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cn(CCC(C)C)nn2)N2CCCCC2)cc1 ZINC000127358533 1415751928 /nfs/dbraw/zinc/75/19/28/1415751928.db2.gz PIWGLXYVIOWRMP-NRFANRHFSA-N 0 1 399.539 3.290 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000178113061 1428987585 /nfs/dbraw/zinc/98/75/85/1428987585.db2.gz CFBJRTWUOZHBIA-IBGZPJMESA-N 0 1 391.462 3.139 20 0 GGADMN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178113147 1428987605 /nfs/dbraw/zinc/98/76/05/1428987605.db2.gz BOVYAMMIGYJELM-LJQANCHMSA-N 0 1 398.478 3.199 20 0 GGADMN Cc1cc[nH+]c(N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826309229 1428987847 /nfs/dbraw/zinc/98/78/47/1428987847.db2.gz IFAJNUPVWXWOSP-RKDXNWHRSA-N 0 1 380.296 3.137 20 0 GGADMN Cc1[nH]c2c(cccc2C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1C ZINC000127376067 1415757581 /nfs/dbraw/zinc/75/75/81/1415757581.db2.gz IWFQZWGDLPEQDZ-MOPGFXCFSA-N 0 1 377.488 3.150 20 0 GGADMN CO[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000826147055 1428988626 /nfs/dbraw/zinc/98/86/26/1428988626.db2.gz MNWGCDSXETWFHC-IBGZPJMESA-N 0 1 393.491 3.447 20 0 GGADMN CO[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826147055 1428988628 /nfs/dbraw/zinc/98/86/28/1428988628.db2.gz MNWGCDSXETWFHC-IBGZPJMESA-N 0 1 393.491 3.447 20 0 GGADMN CO[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826147055 1428988629 /nfs/dbraw/zinc/98/86/29/1428988629.db2.gz MNWGCDSXETWFHC-IBGZPJMESA-N 0 1 393.491 3.447 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000127383307 1415760214 /nfs/dbraw/zinc/76/02/14/1415760214.db2.gz OXJUSTKXFKNIMO-FQEVSTJZSA-N 0 1 383.492 3.141 20 0 GGADMN O=C(CCSc1ccccc1F)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127385792 1415761395 /nfs/dbraw/zinc/76/13/95/1415761395.db2.gz AEIRLHIRKIQIAG-QZTJIDSGSA-N 0 1 388.508 3.060 20 0 GGADMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000127392083 1415764302 /nfs/dbraw/zinc/76/43/02/1415764302.db2.gz XUCNFPVTVCNJQY-JSFDKUKPSA-N 0 1 383.521 3.432 20 0 GGADMN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000127395837 1415764849 /nfs/dbraw/zinc/76/48/49/1415764849.db2.gz QXIWQPXENFFRLC-MRXNPFEDSA-N 0 1 392.912 3.112 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccnc(-n2ccnc2)c1 ZINC000127397792 1415765143 /nfs/dbraw/zinc/76/51/43/1415765143.db2.gz CNEGOAVHBNFOPJ-OAQYLSRUSA-N 0 1 388.471 3.187 20 0 GGADMN CC(C)COc1ccc(C(C)(C)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000178118374 1428989734 /nfs/dbraw/zinc/98/97/34/1428989734.db2.gz UEWAVLPDOJLDDK-IBGZPJMESA-N 0 1 388.552 3.180 20 0 GGADMN C[C@H](SCc1ccccc1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127399510 1415766540 /nfs/dbraw/zinc/76/65/40/1415766540.db2.gz DKOAFGOWYQIZEF-WMQCIHAUSA-N 0 1 384.545 3.060 20 0 GGADMN CN(C(=O)CSc1nc(-c2cccnc2)n[nH]1)[C@H]1CCCc2ccccc21 ZINC000127405560 1415767048 /nfs/dbraw/zinc/76/70/48/1415767048.db2.gz XBBGFLOFZUIAMI-KRWDZBQOSA-N 0 1 379.489 3.495 20 0 GGADMN COc1ccc2oc(C(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)c(C)c2c1 ZINC000127408643 1415768234 /nfs/dbraw/zinc/76/82/34/1415768234.db2.gz ZCUUSSCBUMENCL-ZWKOTPCHSA-N 0 1 394.471 3.115 20 0 GGADMN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000127409561 1415769437 /nfs/dbraw/zinc/76/94/37/1415769437.db2.gz HFSUTSLJWPPZHR-INIZCTEOSA-N 0 1 392.912 3.112 20 0 GGADMN COc1ccc2oc(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)c(C)c2c1 ZINC000127408860 1415769464 /nfs/dbraw/zinc/76/94/64/1415769464.db2.gz ZCUUSSCBUMENCL-QZTJIDSGSA-N 0 1 394.471 3.115 20 0 GGADMN CCC(=O)N1CC[C@@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000178128529 1428992210 /nfs/dbraw/zinc/99/22/10/1428992210.db2.gz FEUKBFFXEKDQAA-OAQYLSRUSA-N 0 1 379.504 3.059 20 0 GGADMN CCNC(=O)c1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)nc2ccccc21 ZINC000127423446 1415774108 /nfs/dbraw/zinc/77/41/08/1415774108.db2.gz XVRTYVFYQQBPJU-UHFFFAOYSA-N 0 1 375.388 3.220 20 0 GGADMN CC(C)(C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(Cl)c1 ZINC000127430526 1415775524 /nfs/dbraw/zinc/77/55/24/1415775524.db2.gz QSZAWABBRKDQDW-VQTJNVASSA-N 0 1 386.923 3.369 20 0 GGADMN O=C(COc1ccccc1Cc1ccccc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000127448562 1415783114 /nfs/dbraw/zinc/78/31/14/1415783114.db2.gz ATCBEAYGXXPDTO-UHFFFAOYSA-N 0 1 385.427 3.475 20 0 GGADMN Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccn4)n[nH]3)cs2)cc1 ZINC000127451513 1415784193 /nfs/dbraw/zinc/78/41/93/1415784193.db2.gz YWCBEENQHPZHGW-UHFFFAOYSA-N 0 1 376.445 3.480 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc(OCc2cscn2)c1 ZINC000127456036 1415784617 /nfs/dbraw/zinc/78/46/17/1415784617.db2.gz SHJIZXQSFUTKMC-UHFFFAOYSA-N 0 1 378.417 3.155 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(F)cc2OC(F)F)C[C@@H]1C ZINC000127524671 1415804907 /nfs/dbraw/zinc/80/49/07/1415804907.db2.gz VGBJLLSYRKYLMX-TXEJJXNPSA-N 0 1 375.391 3.000 20 0 GGADMN O=C(Nc1ccncc1F)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000127550787 1415808450 /nfs/dbraw/zinc/80/84/50/1415808450.db2.gz HPDCHLVRNQLAIL-ZDUSSCGKSA-N 0 1 380.305 3.269 20 0 GGADMN CCOc1cc(CN2CCC(N3CCNC3=O)CC2)ccc1OCC(C)C 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PZZQDSYDNXHDDE-OAQYLSRUSA-N 0 1 387.501 3.124 20 0 GGADMN COC(=O)[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c2ccccc21 ZINC000178157826 1429002256 /nfs/dbraw/zinc/00/22/56/1429002256.db2.gz BJSYUXKIPDRAOO-INIZCTEOSA-N 0 1 377.400 3.002 20 0 GGADMN COC(=O)[C@@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c2ccccc21 ZINC000178157839 1429002501 /nfs/dbraw/zinc/00/25/01/1429002501.db2.gz BJSYUXKIPDRAOO-MRXNPFEDSA-N 0 1 377.400 3.002 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC(N2CCNC2=O)CC1 ZINC000127663536 1415828626 /nfs/dbraw/zinc/82/86/26/1415828626.db2.gz USPNDLYLHZGDOV-UHFFFAOYSA-N 0 1 387.915 3.132 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)Cc3csc(N4CCCC4=O)n3)c2C1 ZINC000127669830 1415829650 /nfs/dbraw/zinc/82/96/50/1415829650.db2.gz DNEZFXRUTNWGQK-UHFFFAOYSA-N 0 1 398.532 3.423 20 0 GGADMN Cc1cc(OCC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc(C)c1Cl ZINC000178164284 1429003710 /nfs/dbraw/zinc/00/37/10/1429003710.db2.gz SLFZQOODTGYTHU-INIZCTEOSA-N 0 1 380.916 3.047 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)Cc3ccc(OC)cc3OC)n[nH]2)cc1 ZINC000178168378 1429004981 /nfs/dbraw/zinc/00/49/81/1429004981.db2.gz NKJSTSWNDICJEU-UHFFFAOYSA-N 0 1 381.432 3.375 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3CC[NH2+]C3)ccc2C)c1 ZINC000127736273 1415841325 /nfs/dbraw/zinc/84/13/25/1415841325.db2.gz LBXREUXCDGXYFO-MRXNPFEDSA-N 0 1 387.505 3.042 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C3CCCC3)C(F)(F)F)n2)cc1 ZINC000127767518 1415847023 /nfs/dbraw/zinc/84/70/23/1415847023.db2.gz CBDYXADDKMRFGN-OAHLLOKOSA-N 0 1 397.401 3.401 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C3CCCC3)C(F)(F)F)n[nH]2)cc1 ZINC000127767518 1415847027 /nfs/dbraw/zinc/84/70/27/1415847027.db2.gz CBDYXADDKMRFGN-OAHLLOKOSA-N 0 1 397.401 3.401 20 0 GGADMN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000127784305 1415850200 /nfs/dbraw/zinc/85/02/00/1415850200.db2.gz PESZIGIVPHRKJF-NHCUHLMSSA-N 0 1 395.588 3.114 20 0 GGADMN Cn1ccc2ccc(NC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc21 ZINC000178174037 1429007651 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382.512 3.363 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cccc2c1OCCCO2)c1cccc(F)c1 ZINC000128734698 1416054988 /nfs/dbraw/zinc/05/49/88/1416054988.db2.gz ACWZPXUGYQQEBV-SFHVURJKSA-N 0 1 387.455 3.089 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000128752752 1416059061 /nfs/dbraw/zinc/05/90/61/1416059061.db2.gz JMOJOMFFVBAKIW-SFHVURJKSA-N 0 1 380.423 3.432 20 0 GGADMN Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1-c1ncco1 ZINC000128793722 1416070561 /nfs/dbraw/zinc/07/05/61/1416070561.db2.gz LHJLJRYNZCRBLM-UHFFFAOYSA-N 0 1 392.440 3.438 20 0 GGADMN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000128810239 1416074345 /nfs/dbraw/zinc/07/43/45/1416074345.db2.gz UPOCCONQJYPCGR-AWEZNQCLSA-N 0 1 393.278 3.052 20 0 GGADMN CSc1cccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000128809680 1416074508 /nfs/dbraw/zinc/07/45/08/1416074508.db2.gz IVXQVDRANJTYLD-UHFFFAOYSA-N 0 1 383.517 3.082 20 0 GGADMN O=C(Nc1cc(Cl)ccc1F)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000128817855 1416076384 /nfs/dbraw/zinc/07/63/84/1416076384.db2.gz JYOKIXOOMGSOSN-UHFFFAOYSA-N 0 1 389.858 3.152 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000128818847 1416076423 /nfs/dbraw/zinc/07/64/23/1416076423.db2.gz PBKXQHIVYNOJPP-UHFFFAOYSA-N 0 1 383.517 3.082 20 0 GGADMN C[C@H](NC(=O)c1cc(F)c(F)cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000128817807 1416076677 /nfs/dbraw/zinc/07/66/77/1416076677.db2.gz NZSXQGRSSWAZFG-LBPRGKRZSA-N 0 1 395.400 3.486 20 0 GGADMN COC(=O)CCCN(Cc1ccccc1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000128841395 1416082568 /nfs/dbraw/zinc/08/25/68/1416082568.db2.gz MXIVVDDJRBIBHP-UHFFFAOYSA-N 0 1 378.428 3.124 20 0 GGADMN COC[C@@H](NCc1cccc(OCC(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000128879940 1416091335 /nfs/dbraw/zinc/09/13/35/1416091335.db2.gz INRAGLVPKUNBMQ-QGZVFWFLSA-N 0 1 382.382 3.047 20 0 GGADMN C[C@H](CNC(=O)NCc1cccnc1OCC(F)F)[N@@H+](C)Cc1ccccc1 ZINC000128891769 1416094724 /nfs/dbraw/zinc/09/47/24/1416094724.db2.gz HAWZNBSMRHTYNL-OAHLLOKOSA-N 0 1 392.450 3.045 20 0 GGADMN COCCOc1cccc(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000128902012 1416097353 /nfs/dbraw/zinc/09/73/53/1416097353.db2.gz SJQSRGHIMXGOEV-UHFFFAOYSA-N 0 1 386.467 3.199 20 0 GGADMN Cc1cc(CC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000128914113 1416100233 /nfs/dbraw/zinc/10/02/33/1416100233.db2.gz ORCMHTAQQOPXGZ-UHFFFAOYSA-N 0 1 379.342 3.043 20 0 GGADMN CCN(CC(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000128915219 1416101120 /nfs/dbraw/zinc/10/11/20/1416101120.db2.gz UFJYYTDKHDEBJI-UHFFFAOYSA-N 0 1 382.386 3.253 20 0 GGADMN Cc1nn(C)c2ncc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc12 ZINC000128926033 1416103572 /nfs/dbraw/zinc/10/35/72/1416103572.db2.gz ZEDNLLXLVYGTOP-KRWDZBQOSA-N 0 1 376.420 3.257 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@H]4OCCC[C@@H]4C3)c2C1 ZINC000178309912 1429048728 /nfs/dbraw/zinc/04/87/28/1429048728.db2.gz YMXPPOZFTAPMSK-YRISNDGFSA-N 0 1 399.535 3.013 20 0 GGADMN C[C@H](c1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1)[NH+]1CCOCC1 ZINC000824770055 1429048912 /nfs/dbraw/zinc/04/89/12/1429048912.db2.gz DCVPAOUUADUICF-SNVBAGLBSA-N 0 1 391.888 3.113 20 0 GGADMN COc1ccc(COCCCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000128957120 1416112721 /nfs/dbraw/zinc/11/27/21/1416112721.db2.gz FBQKXDYUSZCQLD-UHFFFAOYSA-N 0 1 385.439 3.366 20 0 GGADMN COc1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C2CC2)cc1 ZINC000821794973 1429060930 /nfs/dbraw/zinc/06/09/30/1429060930.db2.gz RGEJPGOZDFNLJH-YCRPNKLZSA-N 0 1 393.491 3.209 20 0 GGADMN COc1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C2CC2)cc1 ZINC000821794973 1429060935 /nfs/dbraw/zinc/06/09/35/1429060935.db2.gz RGEJPGOZDFNLJH-YCRPNKLZSA-N 0 1 393.491 3.209 20 0 GGADMN COc1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C2CC2)cc1 ZINC000821794973 1429060939 /nfs/dbraw/zinc/06/09/39/1429060939.db2.gz RGEJPGOZDFNLJH-YCRPNKLZSA-N 0 1 393.491 3.209 20 0 GGADMN CC(=O)Nc1ccc(F)c(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000129010801 1416124761 /nfs/dbraw/zinc/12/47/61/1416124761.db2.gz LPUBZBHVSCIDFN-UHFFFAOYSA-N 0 1 376.407 3.307 20 0 GGADMN O=C(c1cccc(F)c1)N1CCCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000129016266 1416126097 /nfs/dbraw/zinc/12/60/97/1416126097.db2.gz VVJRCEZLDNMQOF-UHFFFAOYSA-N 0 1 397.494 3.010 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C2CCCCC2)nn1C ZINC000129022636 1416127834 /nfs/dbraw/zinc/12/78/34/1416127834.db2.gz WSMXGSWMABNLBN-UHFFFAOYSA-N 0 1 395.456 3.194 20 0 GGADMN COc1cc(F)c(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)cc1OC ZINC000129023343 1416127930 /nfs/dbraw/zinc/12/79/30/1416127930.db2.gz VJOIKETVZHWNPC-UHFFFAOYSA-N 0 1 397.472 3.425 20 0 GGADMN Cn1cccc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000129059519 1416135935 /nfs/dbraw/zinc/13/59/35/1416135935.db2.gz VZHUMNNFYKFSGZ-UHFFFAOYSA-N 0 1 375.520 3.397 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c1C ZINC000178377556 1429064904 /nfs/dbraw/zinc/06/49/04/1429064904.db2.gz REFATKWTBUSZNW-UHFFFAOYSA-N 0 1 375.450 3.399 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n[nH]1 ZINC000178377303 1429065056 /nfs/dbraw/zinc/06/50/56/1429065056.db2.gz FOJULHJNHLDLLP-CQSZACIVSA-N 0 1 384.480 3.189 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1O ZINC000129077207 1416139740 /nfs/dbraw/zinc/13/97/40/1416139740.db2.gz MYMUARUKLHIHNM-KRWDZBQOSA-N 0 1 387.480 3.362 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000129082527 1416140901 /nfs/dbraw/zinc/14/09/01/1416140901.db2.gz JONPZDDOPIOADZ-FQEVSTJZSA-N 0 1 395.507 3.407 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000129088049 1416141899 /nfs/dbraw/zinc/14/18/99/1416141899.db2.gz WNHXCHBRBGIONQ-DLBZAZTESA-N 0 1 379.888 3.349 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000129087853 1416142011 /nfs/dbraw/zinc/14/20/11/1416142011.db2.gz WNHXCHBRBGIONQ-SJORKVTESA-N 0 1 379.888 3.349 20 0 GGADMN CCc1nc([C@@H]2CN(Cc3ccc(OCc4csc(C)n4)cc3)CCO2)n[nH]1 ZINC000129099532 1416144644 /nfs/dbraw/zinc/14/46/44/1416144644.db2.gz OCENCACIPOUZLS-SFHVURJKSA-N 0 1 399.520 3.285 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Cc2n[nH]c3ccccc23)N2CCCCC2)cc1 ZINC000129118439 1416149759 /nfs/dbraw/zinc/14/97/59/1416149759.db2.gz MQNJYUGEDDAQKV-JOCHJYFZSA-N 0 1 392.503 3.457 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000129125177 1416150923 /nfs/dbraw/zinc/15/09/23/1416150923.db2.gz ZHMRDFJSUROSKU-UHFFFAOYSA-N 0 1 382.430 3.094 20 0 GGADMN C[C@@H]1CN(Cc2csc(NC(=O)c3cc(F)cc4[nH]cnc43)n2)C[C@@H](C)O1 ZINC000129143312 1416155564 /nfs/dbraw/zinc/15/55/64/1416155564.db2.gz LAZRJYGCSVXOSD-GHMZBOCLSA-N 0 1 389.456 3.020 20 0 GGADMN C[C@H](CNC(=O)Cc1cc(-c2ccccc2)on1)N1CCc2ccccc2C1 ZINC000129154849 1416158389 /nfs/dbraw/zinc/15/83/89/1416158389.db2.gz BFZKYZNSXSHANX-QGZVFWFLSA-N 0 1 375.472 3.447 20 0 GGADMN COc1ccc(COCCC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000129156043 1416158939 /nfs/dbraw/zinc/15/89/39/1416158939.db2.gz OQLPAXNBBNAALH-SFHVURJKSA-N 0 1 382.504 3.165 20 0 GGADMN O=C(CN(CCCO)[C@@H]1CCCc2ccccc21)N1CCc2ccccc2C1 ZINC000178396740 1429069012 /nfs/dbraw/zinc/06/90/12/1429069012.db2.gz UMODTIBKGWICQW-HSZRJFAPSA-N 0 1 378.516 3.333 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000129175756 1416163534 /nfs/dbraw/zinc/16/35/34/1416163534.db2.gz NEOBDBVQPKTDQG-UHFFFAOYSA-N 0 1 386.471 3.349 20 0 GGADMN CCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000129193806 1416167875 /nfs/dbraw/zinc/16/78/75/1416167875.db2.gz VZGKREQPGCNHOB-UHFFFAOYSA-N 0 1 386.471 3.267 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000129196787 1416168399 /nfs/dbraw/zinc/16/83/99/1416168399.db2.gz MJRUUFDRIXQUOR-UHFFFAOYSA-N 0 1 398.482 3.410 20 0 GGADMN O=C(Cc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1)N1CCSCC1 ZINC000129200881 1416169131 /nfs/dbraw/zinc/16/91/31/1416169131.db2.gz WPPCAQGKGWZOLK-UHFFFAOYSA-N 0 1 396.472 3.040 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)COc1cccc2ccccc21 ZINC000178423822 1429074748 /nfs/dbraw/zinc/07/47/48/1429074748.db2.gz LSZPSODLZJGZTL-PPHZAIPVSA-N 0 1 383.513 3.449 20 0 GGADMN COCCOc1cccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000129297558 1416187467 /nfs/dbraw/zinc/18/74/67/1416187467.db2.gz FMENHWBNPRUZTN-UHFFFAOYSA-N 0 1 375.444 3.234 20 0 GGADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000129307799 1416188767 /nfs/dbraw/zinc/18/87/67/1416188767.db2.gz LYGCQXPNERHABP-CVDCTZTESA-N 0 1 396.506 3.415 20 0 GGADMN Cc1cc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(OC(F)F)cc1C ZINC000129325821 1416191210 /nfs/dbraw/zinc/19/12/10/1416191210.db2.gz ZEFQOOGSENYFDJ-UHFFFAOYSA-N 0 1 395.494 3.035 20 0 GGADMN CCCCOc1ccccc1CNCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000129332817 1416192742 /nfs/dbraw/zinc/19/27/42/1416192742.db2.gz KSILJQZOYDJADZ-JOCHJYFZSA-N 0 1 381.476 3.210 20 0 GGADMN CC(C)(CO)[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000129353482 1416195769 /nfs/dbraw/zinc/19/57/69/1416195769.db2.gz RYZVIUSUXAECLC-AWEZNQCLSA-N 0 1 387.423 3.185 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129371795 1416198244 /nfs/dbraw/zinc/19/82/44/1416198244.db2.gz YUDSQJOLOGVKRN-OPYAIIAOSA-N 0 1 397.563 3.371 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000178431804 1429076067 /nfs/dbraw/zinc/07/60/67/1429076067.db2.gz XZXXWCSVBVSKKD-DCFHFQCYSA-N 0 1 383.513 3.449 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN(C)Cc2ccc([S@](C)=O)cc2)c1C ZINC000178431951 1429076218 /nfs/dbraw/zinc/07/62/18/1429076218.db2.gz UOYKNXJBUNTSFL-BCHFMIIMSA-N 0 1 375.534 3.221 20 0 GGADMN O=C(CC1(N2CCOCC2)CCCC1)Nc1ccnn1Cc1ccc(F)cc1 ZINC000129409878 1416205181 /nfs/dbraw/zinc/20/51/81/1416205181.db2.gz LEYGJUYOAPCXEW-UHFFFAOYSA-N 0 1 386.471 3.044 20 0 GGADMN COc1cc([C@@H](C)NCc2cccc(Cn3cccn3)c2)ccc1S(C)(=O)=O ZINC000129432208 1416208382 /nfs/dbraw/zinc/20/83/82/1416208382.db2.gz HQXDDHDKUIJFCE-MRXNPFEDSA-N 0 1 399.516 3.194 20 0 GGADMN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000129441648 1416210188 /nfs/dbraw/zinc/21/01/88/1416210188.db2.gz MZZKEXQQPJYRKJ-QGZVFWFLSA-N 0 1 392.455 3.358 20 0 GGADMN Cc1ccccc1[C@H](CN1CCOCC1)NCc1cnn(Cc2ccccc2)c1 ZINC000178437492 1429077042 /nfs/dbraw/zinc/07/70/42/1429077042.db2.gz ITQNBFXRTNPEKE-DEOSSOPVSA-N 0 1 390.531 3.403 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2ccc(Cn3cccn3)cc2)cc1F ZINC000129453924 1416211960 /nfs/dbraw/zinc/21/19/60/1416211960.db2.gz SEQKBESSNBESNJ-UHFFFAOYSA-N 0 1 381.455 3.454 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1c(C)noc1Cl)N1CCCC1 ZINC000129481165 1416216301 /nfs/dbraw/zinc/21/63/01/1416216301.db2.gz MKKBBDWHXNVWQO-MRXNPFEDSA-N 0 1 377.872 3.141 20 0 GGADMN CC[C@H](COC)NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000129483412 1416216878 /nfs/dbraw/zinc/21/68/78/1416216878.db2.gz IIXQIABGJNBGNU-QGZVFWFLSA-N 0 1 387.446 3.348 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccn(-c3ccccc3Cl)n2)C[C@H](C)O1 ZINC000129498343 1416218853 /nfs/dbraw/zinc/21/88/53/1416218853.db2.gz BFTJSQCIXFWKQF-GASCZTMLSA-N 0 1 391.903 3.147 20 0 GGADMN COc1cc(CNC(C)(C)C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000129507003 1416220212 /nfs/dbraw/zinc/22/02/12/1416220212.db2.gz MBLKYTNQEFWQGM-UHFFFAOYSA-N 0 1 378.513 3.277 20 0 GGADMN CC(C)N1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129550841 1416226416 /nfs/dbraw/zinc/22/64/16/1416226416.db2.gz HJPXQMAUHRCODG-ZWKOTPCHSA-N 0 1 381.561 3.212 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CSc1ccc(O)cc1)N1CCCC1 ZINC000129558965 1416228295 /nfs/dbraw/zinc/22/82/95/1416228295.db2.gz JOHIYKLBIFQYJD-LJQANCHMSA-N 0 1 386.517 3.446 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)c1 ZINC000129558912 1416228300 /nfs/dbraw/zinc/22/83/00/1416228300.db2.gz AVJHFWYPIDAWJW-MRXNPFEDSA-N 0 1 394.475 3.390 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000129589232 1416233537 /nfs/dbraw/zinc/23/35/37/1416233537.db2.gz WCVOYPLZUBEBMY-UHFFFAOYSA-N 0 1 382.489 3.157 20 0 GGADMN C[C@@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccc([S@](C)=O)cc1 ZINC000129603186 1416235413 /nfs/dbraw/zinc/23/54/13/1416235413.db2.gz XWQXDDBCXYEGOA-WVDZOPJMSA-N 0 1 396.516 3.110 20 0 GGADMN CCC(=O)N1CC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 ZINC000178447358 1429079133 /nfs/dbraw/zinc/07/91/33/1429079133.db2.gz PDXIKYNUNSUYAD-UTKZUKDTSA-N 0 1 376.460 3.027 20 0 GGADMN CC(C)(C)CCNC(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129642235 1416241855 /nfs/dbraw/zinc/24/18/55/1416241855.db2.gz ARGIIHJEELFRHF-HNNXBMFYSA-N 0 1 383.418 3.055 20 0 GGADMN Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cn1 ZINC000129657313 1416244146 /nfs/dbraw/zinc/24/41/46/1416244146.db2.gz HESDSVVHBFJWHV-UHFFFAOYSA-N 0 1 380.492 3.386 20 0 GGADMN O=C(NCc1csc(-c2ccco2)n1)NC1CCN(Cc2ccccn2)CC1 ZINC000129658724 1416244451 /nfs/dbraw/zinc/24/44/51/1416244451.db2.gz GLWZTXZOMBGTTM-UHFFFAOYSA-N 0 1 397.504 3.262 20 0 GGADMN Cc1[nH]c(SCC(=O)NCc2cccc(N(C)C)n2)nc1Cc1ccccc1 ZINC000129665289 1416245477 /nfs/dbraw/zinc/24/54/77/1416245477.db2.gz NSYBBYNVQGHWTH-UHFFFAOYSA-N 0 1 395.532 3.178 20 0 GGADMN CCCCn1c(=S)n(CN2CCOC3(CCC3)C2)nc1[C@@H](CC)N(C)C ZINC000129668304 1416245653 /nfs/dbraw/zinc/24/56/53/1416245653.db2.gz LMNPHMRMMIMAMW-MRXNPFEDSA-N 0 1 381.590 3.439 20 0 GGADMN CN(Cc1ccccc1OC(F)(F)F)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000129702046 1416250885 /nfs/dbraw/zinc/25/08/85/1416250885.db2.gz FHBRBFPHSPTORU-UHFFFAOYSA-N 0 1 399.394 3.039 20 0 GGADMN C[C@@H](N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1nnc2ccccn21 ZINC000178452411 1429080817 /nfs/dbraw/zinc/08/08/17/1429080817.db2.gz SVRYMCWWBMJXMW-LSDHHAIUSA-N 0 1 385.899 3.471 20 0 GGADMN O=C(NCCOc1ccccc1C(F)(F)F)c1cccc(-c2nnc[nH]2)c1 ZINC000129743913 1416256803 /nfs/dbraw/zinc/25/68/03/1416256803.db2.gz FBBCIVNEXCIAGT-UHFFFAOYSA-N 0 1 376.338 3.299 20 0 GGADMN C[C@H](OCCCNC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000129757266 1416259349 /nfs/dbraw/zinc/25/93/49/1416259349.db2.gz UVBIXZFDCQENJX-DYXWJJEUSA-N 0 1 384.524 3.050 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000129760745 1416259517 /nfs/dbraw/zinc/25/95/17/1416259517.db2.gz ULZAZLNUEUXODO-UHFFFAOYSA-N 0 1 380.536 3.369 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)c1 ZINC000129769757 1416260929 /nfs/dbraw/zinc/26/09/29/1416260929.db2.gz HIUNLXJFGXAHPU-VDZJLULYSA-N 0 1 383.496 3.120 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000129771949 1416261336 /nfs/dbraw/zinc/26/13/36/1416261336.db2.gz ZXWFVFGVWUFIHU-GOSISDBHSA-N 0 1 378.457 3.395 20 0 GGADMN COCCN1[C@H](C)CN([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000129780639 1416262515 /nfs/dbraw/zinc/26/25/15/1416262515.db2.gz RGJXJPROWFVVQU-KSZLIROESA-N 0 1 375.557 3.352 20 0 GGADMN C[C@H]1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[C@@H]1c1ccccc1 ZINC000129784490 1416263390 /nfs/dbraw/zinc/26/33/90/1416263390.db2.gz RSFJWYJYHCEPCG-UWJYYQICSA-N 0 1 379.504 3.453 20 0 GGADMN CC[C@H](c1ccncc1)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000129788114 1416263820 /nfs/dbraw/zinc/26/38/20/1416263820.db2.gz OCIGNBHVZQGNTF-QGZVFWFLSA-N 0 1 382.489 3.454 20 0 GGADMN O[C@@H](CCc1ccccc1)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129794843 1416264932 /nfs/dbraw/zinc/26/49/32/1416264932.db2.gz IUOACCOKBDXQBD-ZWKOTPCHSA-N 0 1 390.409 3.496 20 0 GGADMN Cc1cc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)ccc1C(=O)N(C)C ZINC000129803039 1416265934 /nfs/dbraw/zinc/26/59/34/1416265934.db2.gz KYUVHSFEZYNDSW-UHFFFAOYSA-N 0 1 386.471 3.219 20 0 GGADMN C[C@@H]1CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 ZINC000129813209 1416267851 /nfs/dbraw/zinc/26/78/51/1416267851.db2.gz NIVAYMKMEDDVKN-UTKZUKDTSA-N 0 1 397.494 3.160 20 0 GGADMN O=C(COc1ccc2c(c1)CCC2)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000129822372 1416269172 /nfs/dbraw/zinc/26/91/72/1416269172.db2.gz JWLNIADUGTVNDG-UHFFFAOYSA-N 0 1 382.479 3.474 20 0 GGADMN COc1ccc(OC)c(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000129825949 1416269592 /nfs/dbraw/zinc/26/95/92/1416269592.db2.gz WDRZDEOKKBZJAV-UHFFFAOYSA-N 0 1 386.467 3.166 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000129826861 1416270123 /nfs/dbraw/zinc/27/01/23/1416270123.db2.gz YNNYQVOZYRQKSF-UHFFFAOYSA-N 0 1 392.478 3.465 20 0 GGADMN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000129827963 1416270425 /nfs/dbraw/zinc/27/04/25/1416270425.db2.gz LIVDBRNZIZUCCJ-YGRLFVJLSA-N 0 1 389.839 3.290 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000129830044 1416270549 /nfs/dbraw/zinc/27/05/49/1416270549.db2.gz KGGJRDFRLDJWPF-LJQANCHMSA-N 0 1 399.441 3.171 20 0 GGADMN CC(C)(C)c1nc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)no1 ZINC000129835314 1416271341 /nfs/dbraw/zinc/27/13/41/1416271341.db2.gz VUDOZWDGHDJBJV-CYBMUJFWSA-N 0 1 380.374 3.383 20 0 GGADMN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000129838541 1416272035 /nfs/dbraw/zinc/27/20/35/1416272035.db2.gz IQKQVKPMYOLPNA-RHSMWYFYSA-N 0 1 379.501 3.130 20 0 GGADMN COc1ccc(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1OCC(N)=O ZINC000129848145 1416273609 /nfs/dbraw/zinc/27/36/09/1416273609.db2.gz OHGKBWWSPPDPOV-KDOFPFPSSA-N 0 1 384.476 3.440 20 0 GGADMN C[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1n1ccnc1 ZINC000129848701 1416273675 /nfs/dbraw/zinc/27/36/75/1416273675.db2.gz RFOGVQYYFCTWGU-FPOVZHCZSA-N 0 1 380.536 3.394 20 0 GGADMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000129847702 1416273710 /nfs/dbraw/zinc/27/37/10/1416273710.db2.gz DQWRVSPGUSIWGT-UHFFFAOYSA-N 0 1 397.233 3.436 20 0 GGADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCN(c2ncnc3sccc32)CC1 ZINC000129863280 1416276027 /nfs/dbraw/zinc/27/60/27/1416276027.db2.gz DJEDJRGJFYVYSK-UHFFFAOYSA-N 0 1 396.520 3.425 20 0 GGADMN C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000129868248 1416276790 /nfs/dbraw/zinc/27/67/90/1416276790.db2.gz HONHRBYHDJGMSG-WBVHZDCISA-N 0 1 389.521 3.172 20 0 GGADMN CCc1nc(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)n[nH]1 ZINC000129876952 1416278386 /nfs/dbraw/zinc/27/83/86/1416278386.db2.gz KLSMDSZAQLXLQG-NSHDSACASA-N 0 1 375.477 3.002 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000129887669 1416280302 /nfs/dbraw/zinc/28/03/02/1416280302.db2.gz HBZTYBCEHGTIGI-LJQANCHMSA-N 0 1 380.920 3.173 20 0 GGADMN CCc1nc(CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)n[nH]1 ZINC000129891851 1416280858 /nfs/dbraw/zinc/28/08/58/1416280858.db2.gz XUKCLTWFZPQBSE-UHFFFAOYSA-N 0 1 393.476 3.311 20 0 GGADMN CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(OC)c(OC)c1 ZINC000129909043 1416283617 /nfs/dbraw/zinc/28/36/17/1416283617.db2.gz WRYZDRRNLUZINY-QGZVFWFLSA-N 0 1 392.521 3.195 20 0 GGADMN Cc1ccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1C(=O)N(C)C ZINC000129940337 1416288467 /nfs/dbraw/zinc/28/84/67/1416288467.db2.gz GGELYWXMERJIGA-UHFFFAOYSA-N 0 1 386.471 3.219 20 0 GGADMN CCc1nc2cc(NC(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)ccc2o1 ZINC000129973781 1416294036 /nfs/dbraw/zinc/29/40/36/1416294036.db2.gz CGXKHASCQIIPDE-UHFFFAOYSA-N 0 1 380.429 3.178 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)N1CCCCC1 ZINC000178466481 1429083945 /nfs/dbraw/zinc/08/39/45/1429083945.db2.gz NHPOODZMNBBTNU-IRXDYDNUSA-N 0 1 392.565 3.455 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000129989023 1416296957 /nfs/dbraw/zinc/29/69/57/1416296957.db2.gz LRMTUJFVZNTVJY-QZTJIDSGSA-N 0 1 393.409 3.462 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000129991158 1416297488 /nfs/dbraw/zinc/29/74/88/1416297488.db2.gz LDPYLBLEWGHZTO-SJORKVTESA-N 0 1 389.883 3.106 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1F ZINC000129994831 1416299280 /nfs/dbraw/zinc/29/92/80/1416299280.db2.gz QUXPFRQJHWLSSD-KRWDZBQOSA-N 0 1 387.455 3.377 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1)C1CC1 ZINC000178468866 1429084269 /nfs/dbraw/zinc/08/42/69/1429084269.db2.gz MNAZPPWAXRCILL-SFHVURJKSA-N 0 1 378.520 3.431 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccc(F)cc1Cl ZINC000130020377 1416303710 /nfs/dbraw/zinc/30/37/10/1416303710.db2.gz BBMKJWMPNNXSSU-CVEARBPZSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(F)cc1Cl ZINC000130020377 1416303711 /nfs/dbraw/zinc/30/37/11/1416303711.db2.gz BBMKJWMPNNXSSU-CVEARBPZSA-N 0 1 377.847 3.236 20 0 GGADMN COc1cc(CN2CCN(CCc3cccs3)CC2)cc(OC)c1OC ZINC000178469035 1429084548 /nfs/dbraw/zinc/08/45/48/1429084548.db2.gz MVPNYPMRXBJZLJ-UHFFFAOYSA-N 0 1 376.522 3.134 20 0 GGADMN NC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000130028204 1416304855 /nfs/dbraw/zinc/30/48/55/1416304855.db2.gz INHJGMPBJWIYDB-SFHVURJKSA-N 0 1 386.883 3.398 20 0 GGADMN COC(=O)c1ccc(NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1F ZINC000130030986 1416305191 /nfs/dbraw/zinc/30/51/91/1416305191.db2.gz PKKSUHCOHQRSTE-UHFFFAOYSA-N 0 1 377.391 3.135 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000130035984 1416306313 /nfs/dbraw/zinc/30/63/13/1416306313.db2.gz SDWAMUABLZVWHE-CVEARBPZSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1[nH]nc2c1CCCC2 ZINC000130049942 1416308980 /nfs/dbraw/zinc/30/89/80/1416308980.db2.gz LKUVGBGUBPZCJP-UHFFFAOYSA-N 0 1 398.470 3.466 20 0 GGADMN Cn1cc(Cl)cc1C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000130069749 1416311674 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GGADMN Fc1cc(Br)ccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000822748099 1429136883 /nfs/dbraw/zinc/13/68/83/1429136883.db2.gz HVWGSIZZXDGQHJ-UHFFFAOYSA-N 0 1 382.262 3.162 20 0 GGADMN N[C@H](C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1)c1ccccc1 ZINC000178676306 1429137038 /nfs/dbraw/zinc/13/70/38/1429137038.db2.gz QFOORRZXIHCLQR-FQEVSTJZSA-N 0 1 392.528 3.154 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc(=O)[nH]1 ZINC000133143859 1416856780 /nfs/dbraw/zinc/85/67/80/1416856780.db2.gz BKNXNIQUIYUURL-UHFFFAOYSA-N 0 1 382.464 3.162 20 0 GGADMN COC(=O)c1ccc(-c2ccc(CNCCNC(=O)c3ccccc3F)o2)cc1 ZINC000133221022 1416866440 /nfs/dbraw/zinc/86/64/40/1416866440.db2.gz IFQMXJAYXQFPFY-UHFFFAOYSA-N 0 1 396.418 3.392 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)[C@H](OC(C)(C)C)c2ccccc2)CC1 ZINC000133227997 1416867195 /nfs/dbraw/zinc/86/71/95/1416867195.db2.gz XIIKWNRPIVXPAI-HXUWFJFHSA-N 0 1 396.535 3.006 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(-c2cnco2)cc1 ZINC000133277806 1416873410 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VTUFEOXDOUVUOT-XJKSGUPXSA-N 0 1 389.521 3.182 20 0 GGADMN CS[C@H]1CCCCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000134581300 1417091364 /nfs/dbraw/zinc/09/13/64/1417091364.db2.gz IQYOGOSKBKIEMD-QKLQHJQFSA-N 0 1 391.581 3.456 20 0 GGADMN O=C(Nc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134617587 1417097359 /nfs/dbraw/zinc/09/73/59/1417097359.db2.gz OPUYSJRMURMGJC-MRXNPFEDSA-N 0 1 395.850 3.427 20 0 GGADMN O=C(Nc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134617587 1417097365 /nfs/dbraw/zinc/09/73/65/1417097365.db2.gz OPUYSJRMURMGJC-MRXNPFEDSA-N 0 1 395.850 3.427 20 0 GGADMN Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134616279 1417097644 /nfs/dbraw/zinc/09/76/44/1417097644.db2.gz JBTOCJQLHVPRKX-QGZVFWFLSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134616279 1417097649 /nfs/dbraw/zinc/09/76/49/1417097649.db2.gz JBTOCJQLHVPRKX-QGZVFWFLSA-N 0 1 393.422 3.221 20 0 GGADMN 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1417098105 /nfs/dbraw/zinc/09/81/05/1417098105.db2.gz WAAIDVNWJNFXSV-INIZCTEOSA-N 0 1 397.385 3.052 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2C=CCCC2)c1 ZINC000134634859 1417101865 /nfs/dbraw/zinc/10/18/65/1417101865.db2.gz GVBBULLQXRAPCC-INIZCTEOSA-N 0 1 386.473 3.335 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C)Cc1ccccc1 ZINC000134648090 1417104609 /nfs/dbraw/zinc/10/46/09/1417104609.db2.gz DMTVAHAFEZLPRR-AEFFLSMTSA-N 0 1 375.513 3.023 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(-n2cccn2)n1 ZINC000134657378 1417107487 /nfs/dbraw/zinc/10/74/87/1417107487.db2.gz QCIIHXVXQYURFU-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(-n2cccn2)n1 ZINC000134657437 1417107791 /nfs/dbraw/zinc/10/77/91/1417107791.db2.gz CPLWXVSDNRSGET-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000134663658 1417108453 /nfs/dbraw/zinc/10/84/53/1417108453.db2.gz PBACLVMIVBXCBF-MAUKXSAKSA-N 0 1 375.513 3.266 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000134663636 1417108572 /nfs/dbraw/zinc/10/85/72/1417108572.db2.gz PBACLVMIVBXCBF-CRAIPNDOSA-N 0 1 375.513 3.266 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1F ZINC000134665357 1417109087 /nfs/dbraw/zinc/10/90/87/1417109087.db2.gz UVLAUGZIVGBCKC-UKRRQHHQSA-N 0 1 380.460 3.490 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1F ZINC000134665426 1417109166 /nfs/dbraw/zinc/10/91/66/1417109166.db2.gz UVLAUGZIVGBCKC-ZFWWWQNUSA-N 0 1 380.460 3.490 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1F ZINC000134665378 1417109420 /nfs/dbraw/zinc/10/94/20/1417109420.db2.gz UVLAUGZIVGBCKC-DZGCQCFKSA-N 0 1 380.460 3.490 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349824 1429153559 /nfs/dbraw/zinc/15/35/59/1429153559.db2.gz VYCSURYEORCFEY-NSHDSACASA-N 0 1 382.493 3.103 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349824 1429153563 /nfs/dbraw/zinc/15/35/63/1429153563.db2.gz VYCSURYEORCFEY-NSHDSACASA-N 0 1 382.493 3.103 20 0 GGADMN CCC1(CO)CCN(C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)CC1 ZINC000134689984 1417113098 /nfs/dbraw/zinc/11/30/98/1417113098.db2.gz QIVPJHORNYUJSN-UHFFFAOYSA-N 0 1 387.549 3.412 20 0 GGADMN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000134704893 1417115017 /nfs/dbraw/zinc/11/50/17/1417115017.db2.gz VHFCVUUKIRZQGT-NRFANRHFSA-N 0 1 397.519 3.014 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)c2cnc([C@H]3CCCO3)s2)CC1 ZINC000134707691 1417115561 /nfs/dbraw/zinc/11/55/61/1417115561.db2.gz GXYGNPCIHLEGQD-QGZVFWFLSA-N 0 1 386.521 3.389 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)C1CCOCC1)N1CCCCC1 ZINC000134766069 1417122386 /nfs/dbraw/zinc/12/23/86/1417122386.db2.gz UEVLQXNSESNYKE-YLJYHZDGSA-N 0 1 389.540 3.337 20 0 GGADMN CN(Cc1cccs1)C(=O)CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134778554 1417124656 /nfs/dbraw/zinc/12/46/56/1417124656.db2.gz JGFMLVHCTRULIY-HKUYNNGSSA-N 0 1 376.497 3.434 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1F ZINC000134780146 1417124743 /nfs/dbraw/zinc/12/47/43/1417124743.db2.gz UYYIWIBBUJQGIA-CTNGQTDRSA-N 0 1 388.458 3.478 20 0 GGADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000134784757 1417125640 /nfs/dbraw/zinc/12/56/40/1417125640.db2.gz FHNDJEAAYWVPQD-UHFFFAOYSA-N 0 1 376.398 3.116 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000134798936 1417127671 /nfs/dbraw/zinc/12/76/71/1417127671.db2.gz UNPWOPRLQNXDCW-OALUTQOASA-N 0 1 388.508 3.360 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134803031 1417128666 /nfs/dbraw/zinc/12/86/66/1417128666.db2.gz CSPYURQCPDWCJM-SFTDATJTSA-N 0 1 399.466 3.311 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134803003 1417128693 /nfs/dbraw/zinc/12/86/93/1417128693.db2.gz CSPYURQCPDWCJM-RTWAWAEBSA-N 0 1 399.466 3.311 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)NCc1cc(F)cc(F)c1 ZINC000134806026 1417129070 /nfs/dbraw/zinc/12/90/70/1417129070.db2.gz RTDCULCEVXZLST-PMACEKPBSA-N 0 1 392.421 3.308 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)Nc1nc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000134865313 1417135712 /nfs/dbraw/zinc/13/57/12/1417135712.db2.gz JLRLXTYOOHVBJU-UHFFFAOYSA-N 0 1 383.408 3.445 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134869172 1417136989 /nfs/dbraw/zinc/13/69/89/1417136989.db2.gz GODGRFPDAAIYQI-WMLDXEAASA-N 0 1 393.516 3.301 20 0 GGADMN NC(=O)[C@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000134880439 1417138825 /nfs/dbraw/zinc/13/88/25/1417138825.db2.gz FVVLPKDZPUEIBL-LJQANCHMSA-N 0 1 393.865 3.399 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC(N(C)C)C3)c3cnn(C(C)C)c3n2)s1 ZINC000134911926 1417143779 /nfs/dbraw/zinc/14/37/79/1417143779.db2.gz CUBYDPFQNSBCOW-UHFFFAOYSA-N 0 1 383.521 3.435 20 0 GGADMN CC[C@@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)N1CCc2ccccc2C1 ZINC000134920893 1417145398 /nfs/dbraw/zinc/14/53/98/1417145398.db2.gz QYOLZUOWIPOCOP-SFHVURJKSA-N 0 1 395.478 3.277 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134925457 1417146387 /nfs/dbraw/zinc/14/63/87/1417146387.db2.gz GSWBJZWPTFFYQA-KBXCAEBGSA-N 0 1 395.532 3.245 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc2c(cc1F)NC(=O)CC2 ZINC000134947214 1417150493 /nfs/dbraw/zinc/15/04/93/1417150493.db2.gz RXEFYHNKGIJTIY-KRWDZBQOSA-N 0 1 381.451 3.105 20 0 GGADMN Cc1nc2ccccc2n1CCNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000134969664 1417154485 /nfs/dbraw/zinc/15/44/85/1417154485.db2.gz HVRUIYSNKFNVIB-UHFFFAOYSA-N 0 1 383.471 3.045 20 0 GGADMN CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736743049 1429162252 /nfs/dbraw/zinc/16/22/52/1429162252.db2.gz XSNZWUYWJXDGSC-UHFFFAOYSA-N 0 1 394.454 3.268 20 0 GGADMN CCOC(=O)CCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134988137 1417157386 /nfs/dbraw/zinc/15/73/86/1417157386.db2.gz ZQSOPPWWIVEWBQ-RDTXWAMCSA-N 0 1 399.894 3.114 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1c[nH]nc1-c1c(F)cccc1F ZINC000135040329 1417165994 /nfs/dbraw/zinc/16/59/94/1417165994.db2.gz NDMJBLZHVSSAPY-UHFFFAOYSA-N 0 1 397.429 3.144 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@H](C)N(C)C[C@@H]3CCOC3)n2)cc1 ZINC000178768864 1429164820 /nfs/dbraw/zinc/16/48/20/1429164820.db2.gz PLKWLXFUQRDQPZ-KBPBESRZSA-N 0 1 375.494 3.114 20 0 GGADMN CN(CCC(=O)N(C)c1ccccc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000135068548 1417169735 /nfs/dbraw/zinc/16/97/35/1417169735.db2.gz RDTSXRNBRKHIBR-LJQANCHMSA-N 0 1 385.895 3.430 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000135075099 1417170110 /nfs/dbraw/zinc/17/01/10/1417170110.db2.gz JKDNNHIQQYZMKD-SFHVURJKSA-N 0 1 377.847 3.470 20 0 GGADMN Cc1nccc(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000135085170 1417171575 /nfs/dbraw/zinc/17/15/75/1417171575.db2.gz PQIVZCMNVGSJQF-KBXCAEBGSA-N 0 1 391.878 3.070 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCCn2cccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135108956 1417173251 /nfs/dbraw/zinc/17/32/51/1417173251.db2.gz DDEFGYNLRXJDBW-YJBOKZPZSA-N 0 1 393.894 3.058 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)NCc2ccc(-n3cccn3)cc2)cc1F ZINC000135148463 1417178361 /nfs/dbraw/zinc/17/83/61/1417178361.db2.gz XWYADVIZPGUQIJ-UHFFFAOYSA-N 0 1 381.455 3.072 20 0 GGADMN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)c1ccccc1Br ZINC000178765890 1429164063 /nfs/dbraw/zinc/16/40/63/1429164063.db2.gz UWDDWSKBCQGAJN-DOMZBBRYSA-N 0 1 387.318 3.328 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000135159692 1417179900 /nfs/dbraw/zinc/17/99/00/1417179900.db2.gz MDGCCMYFQNGQLD-AWEZNQCLSA-N 0 1 398.482 3.332 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)c1ccccc1Br ZINC000178765878 1429164239 /nfs/dbraw/zinc/16/42/39/1429164239.db2.gz UWDDWSKBCQGAJN-WFASDCNBSA-N 0 1 387.318 3.328 20 0 GGADMN CC(C)n1cc2cc(NC(=O)CCNC(=O)c3n[nH]c4ccccc43)ccc2n1 ZINC000135248749 1417195647 /nfs/dbraw/zinc/19/56/47/1417195647.db2.gz VCZCUCWHWCOISX-UHFFFAOYSA-N 0 1 390.447 3.252 20 0 GGADMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000135250213 1417196469 /nfs/dbraw/zinc/19/64/69/1417196469.db2.gz HUUQWFZDZAITJD-GOEBONIOSA-N 0 1 395.438 3.425 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1)c1cccs1 ZINC000178774772 1429166103 /nfs/dbraw/zinc/16/61/03/1429166103.db2.gz UFEGIGTYRVRLQS-GHTZIAJQSA-N 0 1 385.533 3.234 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccccc3OC(F)F)cc2)CCO1 ZINC000135328866 1417208072 /nfs/dbraw/zinc/20/80/72/1417208072.db2.gz GSAOLRPNLKHMNN-ZDUSSCGKSA-N 0 1 398.431 3.314 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc4c3N=S=N4)cc2)CCO1 ZINC000135329826 1417208698 /nfs/dbraw/zinc/20/86/98/1417208698.db2.gz MHQNWVWHAQVMSL-GFCCVEGCSA-N 0 1 390.490 3.439 20 0 GGADMN O=S(=O)(Nc1ccc(OCC2CCOCC2)cc1)c1c[nH]c2ncccc12 ZINC000135331935 1417209139 /nfs/dbraw/zinc/20/91/39/1417209139.db2.gz VTHCPLDWDZACRS-UHFFFAOYSA-N 0 1 387.461 3.169 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(Oc2cnccn2)c1)c1cccc(F)c1 ZINC000135350200 1417210352 /nfs/dbraw/zinc/21/03/52/1417210352.db2.gz ROLDFBQGWMDZFX-IBGZPJMESA-N 0 1 380.423 3.441 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(Oc3cnccn3)c2)N(C)C)c1 ZINC000135350444 1417210445 /nfs/dbraw/zinc/21/04/45/1417210445.db2.gz MIDHAUPJQSDCNL-HXUWFJFHSA-N 0 1 392.459 3.310 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cncc(-c4ccccc4)c3)n2)cc1 ZINC000135357473 1417211045 /nfs/dbraw/zinc/21/10/45/1417211045.db2.gz HNUOYCWQYMDHPR-UHFFFAOYSA-N 0 1 385.427 3.472 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cncc(-c4ccccc4)c3)n[nH]2)cc1 ZINC000135357473 1417211049 /nfs/dbraw/zinc/21/10/49/1417211049.db2.gz HNUOYCWQYMDHPR-UHFFFAOYSA-N 0 1 385.427 3.472 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cccc(Oc3nccs3)c2)C[C@H](C)O1 ZINC000135358069 1417211075 /nfs/dbraw/zinc/21/10/75/1417211075.db2.gz RJPABDWMUMOIDP-GJZGRUSLSA-N 0 1 375.494 3.165 20 0 GGADMN COC(=O)c1ccc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000135369379 1417211893 /nfs/dbraw/zinc/21/18/93/1417211893.db2.gz AGSJDRLYSPTFIE-SJCJKPOMSA-N 0 1 378.835 3.161 20 0 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O=C(c1cccc(Oc2nccs2)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000135485940 1417226325 /nfs/dbraw/zinc/22/63/25/1417226325.db2.gz UXPWMNDAALQMRX-MRXNPFEDSA-N 0 1 387.505 3.120 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000178780494 1429168121 /nfs/dbraw/zinc/16/81/21/1429168121.db2.gz MHEQTGQRTVQEGM-UZLBHIALSA-N 0 1 380.492 3.430 20 0 GGADMN COC[C@H](NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000135496109 1417229124 /nfs/dbraw/zinc/22/91/24/1417229124.db2.gz UPVOGGZHPGFVGJ-FHLIZLRMSA-N 0 1 385.911 3.442 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000135503562 1417230151 /nfs/dbraw/zinc/23/01/51/1417230151.db2.gz NKHDUATVXATYJD-CTNYNGJSSA-N 0 1 383.895 3.196 20 0 GGADMN COc1cccc(O[C@H](C)CNC(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000135518119 1417232315 /nfs/dbraw/zinc/23/23/15/1417232315.db2.gz QLTQZUBHLTXSNI-OAHLLOKOSA-N 0 1 389.471 3.163 20 0 GGADMN C[C@@H](CNC(=O)NCc1ccc(CN(C)C)c(F)c1)Oc1ccc(F)cc1 ZINC000135522995 1417233093 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ZINC000135690897 1417258821 /nfs/dbraw/zinc/25/88/21/1417258821.db2.gz YZDDYPQQIZQYSC-LSBZLQRGSA-N 0 1 383.895 3.340 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c(F)c1 ZINC000135700106 1417259636 /nfs/dbraw/zinc/25/96/36/1417259636.db2.gz ULZFOTNRNUNTPP-MRXNPFEDSA-N 0 1 384.451 3.254 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3ccc(F)c4cccnc34)CC2)n1 ZINC000135767285 1417265242 /nfs/dbraw/zinc/26/52/42/1417265242.db2.gz VTBXSBLOJNHJRS-UHFFFAOYSA-N 0 1 381.455 3.275 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)Cc3cc(F)c(F)cc3F)n2)c(OC)c1 ZINC000135779119 1417267019 /nfs/dbraw/zinc/26/70/19/1417267019.db2.gz RMKBXOWPHKLWCN-UHFFFAOYSA-N 0 1 392.337 3.087 20 0 GGADMN CCC(=O)c1cccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000135824423 1417271620 /nfs/dbraw/zinc/27/16/20/1417271620.db2.gz GOWUJWJJRQWVSX-HXUWFJFHSA-N 0 1 393.487 3.171 20 0 GGADMN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(Br)c(O)c1 ZINC000135822529 1417271737 /nfs/dbraw/zinc/27/17/37/1417271737.db2.gz YUVKJVFRSSDVIB-UHFFFAOYSA-N 0 1 391.265 3.368 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCOc2ccc(F)cc2)N(C)C)c1 ZINC000135832438 1417272278 /nfs/dbraw/zinc/27/22/78/1417272278.db2.gz ITTIAOJBZUQPCA-HXUWFJFHSA-N 0 1 389.471 3.157 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1F ZINC000135894827 1417276402 /nfs/dbraw/zinc/27/64/02/1417276402.db2.gz WKKXKJHQOLDHAT-QRQLOZEOSA-N 0 1 375.488 3.034 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000135901663 1417277204 /nfs/dbraw/zinc/27/72/04/1417277204.db2.gz OAOZGNJXHVHLJH-HNNXBMFYSA-N 0 1 396.470 3.028 20 0 GGADMN Cc1c(CNC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1C ZINC000135909394 1417277351 /nfs/dbraw/zinc/27/73/51/1417277351.db2.gz QRWLTSDKAGEJMF-RDTXWAMCSA-N 0 1 393.894 3.013 20 0 GGADMN Cc1c(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1C ZINC000135909394 1417277364 /nfs/dbraw/zinc/27/73/64/1417277364.db2.gz QRWLTSDKAGEJMF-RDTXWAMCSA-N 0 1 393.894 3.013 20 0 GGADMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3ncccc3c2)c1 ZINC000135935129 1417279686 /nfs/dbraw/zinc/27/96/86/1417279686.db2.gz YZHOADXMIZZMOJ-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN CCN(Cc1cccc(NC(=O)CN2CCC(C)CC2)c1)C(=O)C(F)(F)F ZINC000135965574 1417282164 /nfs/dbraw/zinc/28/21/64/1417282164.db2.gz MVAVGJQRYRFALJ-UHFFFAOYSA-N 0 1 385.430 3.268 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCc1nc2ccccc2s1 ZINC000136025393 1417287138 /nfs/dbraw/zinc/28/71/38/1417287138.db2.gz ITQANOLNJJWOHF-UHFFFAOYSA-N 0 1 396.497 3.028 20 0 GGADMN C[C@@H]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1n1ccnc1 ZINC000136086386 1417290294 /nfs/dbraw/zinc/29/02/94/1417290294.db2.gz RJPAAWFCPFETMV-KDOFPFPSSA-N 0 1 378.879 3.217 20 0 GGADMN CCCCN(CC)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000136075067 1417290819 /nfs/dbraw/zinc/29/08/19/1417290819.db2.gz XNQBNYFZAXUUBM-UHFFFAOYSA-N 0 1 390.505 3.133 20 0 GGADMN C[C@H]1CN(C(=O)CN(Cc2cccc(-c3cccnc3)c2)C2CC2)C[C@H](C)O1 ZINC000136106912 1417292299 /nfs/dbraw/zinc/29/22/99/1417292299.db2.gz KNXPFKRBABXXIB-ROUUACIJSA-N 0 1 379.504 3.349 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)CCN[C@]2(CO)CCc3ccccc32)cc1 ZINC000136190547 1417299472 /nfs/dbraw/zinc/29/94/72/1417299472.db2.gz VNXJREIELYRWII-QFIPXVFZSA-N 0 1 387.545 3.181 20 0 GGADMN O=C(CN[C@]1(CO)CCc2ccccc21)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000136187234 1417299656 /nfs/dbraw/zinc/29/96/56/1417299656.db2.gz ZLXLWDHLKWXDQH-IBGZPJMESA-N 0 1 396.821 3.304 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1F ZINC000136189283 1417299718 /nfs/dbraw/zinc/29/97/18/1417299718.db2.gz DIRGSOGRFAJNPG-LJQANCHMSA-N 0 1 384.499 3.356 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)cc1F ZINC000136198904 1417300212 /nfs/dbraw/zinc/30/02/12/1417300212.db2.gz DQQUTIQCNQQMEI-KRWDZBQOSA-N 0 1 377.485 3.232 20 0 GGADMN Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(CN(C)C)c(F)c2)CCO1 ZINC000136216871 1417301986 /nfs/dbraw/zinc/30/19/86/1417301986.db2.gz GYKLXVQHOPCYJF-OAQYLSRUSA-N 0 1 385.483 3.479 20 0 GGADMN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000136224268 1417302747 /nfs/dbraw/zinc/30/27/47/1417302747.db2.gz NVZNGZDHRFCZPJ-KRWDZBQOSA-N 0 1 383.414 3.307 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000136247692 1417304272 /nfs/dbraw/zinc/30/42/72/1417304272.db2.gz SYRUGPFLKMCQFA-HKUYNNGSSA-N 0 1 376.497 3.328 20 0 GGADMN CCCCOc1ncccc1CNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000136246207 1417304355 /nfs/dbraw/zinc/30/43/55/1417304355.db2.gz VCIWHJFCETVOFB-UHFFFAOYSA-N 0 1 388.487 3.461 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N2CCC(C3CCOCC3)CC2)cc1F ZINC000136247531 1417304431 /nfs/dbraw/zinc/30/44/31/1417304431.db2.gz AQKLQPWATNKUTB-UHFFFAOYSA-N 0 1 377.504 3.236 20 0 GGADMN NC(=O)COc1cccc(CNCc2cc(Br)ccc2Cl)c1 ZINC000136244391 1417304492 /nfs/dbraw/zinc/30/44/92/1417304492.db2.gz QDTWVEKNEQSHLV-UHFFFAOYSA-N 0 1 383.673 3.256 20 0 GGADMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000136368873 1417311727 /nfs/dbraw/zinc/31/17/27/1417311727.db2.gz QGOSXCHIMXRAPI-VOBQZIQPSA-N 0 1 391.462 3.379 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)c1ccco1 ZINC000136365931 1417311949 /nfs/dbraw/zinc/31/19/49/1417311949.db2.gz FGMOEEJWCSSLEU-GOSISDBHSA-N 0 1 384.480 3.112 20 0 GGADMN CN1CCc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2C1=O ZINC000136380476 1417313076 /nfs/dbraw/zinc/31/30/76/1417313076.db2.gz REOJZFBBQRNYMZ-UHFFFAOYSA-N 0 1 392.503 3.055 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCOC3(CCCC3)C2)N2CCCC2)c1 ZINC000136393288 1417313294 /nfs/dbraw/zinc/31/32/94/1417313294.db2.gz XTNVBXTYBHLHAI-FQEVSTJZSA-N 0 1 387.524 3.187 20 0 GGADMN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000136398395 1417314156 /nfs/dbraw/zinc/31/41/56/1417314156.db2.gz APBUOOFLBHNSFU-OXQOHEQNSA-N 0 1 385.508 3.445 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CN(C)[C@H]1CCSC1 ZINC000136509224 1417322570 /nfs/dbraw/zinc/32/25/70/1417322570.db2.gz FLWRIBGIMFWCAU-SFHVURJKSA-N 0 1 390.528 3.044 20 0 GGADMN COc1ccc([C@@H](CNC(=O)[C@@H]2OCCc3ccccc32)N2CCCC2)cc1 ZINC000136607603 1417332153 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397.447 3.427 20 0 GGADMN CCOc1ccc(CC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000150768201 1417803505 /nfs/dbraw/zinc/80/35/05/1417803505.db2.gz JMZWQFZAOQBVNN-IBGZPJMESA-N 0 1 398.503 3.036 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000150782362 1417805946 /nfs/dbraw/zinc/80/59/46/1417805946.db2.gz FRDHRFAJXDOGRO-SFHVURJKSA-N 0 1 390.549 3.182 20 0 GGADMN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000150784350 1417806048 /nfs/dbraw/zinc/80/60/48/1417806048.db2.gz CUZSXCKULDPDEA-UHFFFAOYSA-N 0 1 391.342 3.361 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](CCO)c2ccccc2)CC1 ZINC000178887995 1429211484 /nfs/dbraw/zinc/21/14/84/1429211484.db2.gz MSNSVRVGQQKIFN-NQIIRXRSSA-N 0 1 396.535 3.072 20 0 GGADMN CO[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1Cl ZINC000150804607 1417810516 /nfs/dbraw/zinc/81/05/16/1417810516.db2.gz HULZTBMEYSZYMH-KRWDZBQOSA-N 0 1 387.823 3.418 20 0 GGADMN Cc1ccccc1CNC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000150809500 1417811174 /nfs/dbraw/zinc/81/11/74/1417811174.db2.gz AYRMACZOWIRHGH-IEBWSBKVSA-N 0 1 389.540 3.236 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H](CCO)c2ccccc2)CC1 ZINC000178887978 1429211625 /nfs/dbraw/zinc/21/16/25/1429211625.db2.gz MSNSVRVGQQKIFN-WIYYLYMNSA-N 0 1 396.535 3.072 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NCC[C@H](O)CC)cc2Cl)CC1 ZINC000150814882 1417812648 /nfs/dbraw/zinc/81/26/48/1417812648.db2.gz RMGQXGSHQLSVKW-MRXNPFEDSA-N 0 1 382.936 3.155 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)on2)cc1 ZINC000150843925 1417818483 /nfs/dbraw/zinc/81/84/83/1417818483.db2.gz RACHUKFITSLONC-UHFFFAOYSA-N 0 1 378.432 3.063 20 0 GGADMN Cc1ccc(-c2nc(CC(=O)Nc3cc(C(N)=O)ccc3CN(C)C)cs2)o1 ZINC000150846130 1417819288 /nfs/dbraw/zinc/81/92/88/1417819288.db2.gz RQXWMZJTELCULC-UHFFFAOYSA-N 0 1 398.488 3.053 20 0 GGADMN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000150848404 1417820228 /nfs/dbraw/zinc/82/02/28/1417820228.db2.gz UFALAAYBIHBHQD-UHFFFAOYSA-N 0 1 383.492 3.296 20 0 GGADMN Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000150852700 1417820954 /nfs/dbraw/zinc/82/09/54/1417820954.db2.gz WTSCGDAFXCOXMN-UHFFFAOYSA-N 0 1 384.461 3.124 20 0 GGADMN C[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C(C)(C)CN(C)C ZINC000150854872 1417821334 /nfs/dbraw/zinc/82/13/34/1417821334.db2.gz MPBGQBAOWWOAJS-AWEZNQCLSA-N 0 1 394.562 3.287 20 0 GGADMN CSC[C@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000150873853 1417825501 /nfs/dbraw/zinc/82/55/01/1417825501.db2.gz RFFBSFDQRUHRMN-ZDUSSCGKSA-N 0 1 389.487 3.073 20 0 GGADMN Cc1ncccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000150875505 1417825835 /nfs/dbraw/zinc/82/58/35/1417825835.db2.gz HJPBPXIXOHQRGL-UHFFFAOYSA-N 0 1 392.425 3.091 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3OCC3CC3)cc21 ZINC000150876408 1417826240 /nfs/dbraw/zinc/82/62/40/1417826240.db2.gz ZLDBJGGNHRSWHY-UHFFFAOYSA-N 0 1 386.473 3.185 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cc2ccsc2)CC1 ZINC000150876751 1417826331 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COc1ccccc1-c1nn(C)cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000150928172 1417836915 /nfs/dbraw/zinc/83/69/15/1417836915.db2.gz TYPSAQXLXBSUGJ-INIZCTEOSA-N 0 1 384.505 3.190 20 0 GGADMN O=C(NCCc1ccccc1OC(F)(F)F)c1c[nH]c2ccccc2c1=O ZINC000150929528 1417837477 /nfs/dbraw/zinc/83/74/77/1417837477.db2.gz ZWURHMYXGCONHH-UHFFFAOYSA-N 0 1 376.334 3.399 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(C)cc1OCC(F)(F)F ZINC000150931461 1417838077 /nfs/dbraw/zinc/83/80/77/1417838077.db2.gz PIAFQYCZSCBRJZ-UHFFFAOYSA-N 0 1 384.402 3.400 20 0 GGADMN Cc1nnc(-c2ccccc2C(=O)NCC2(CN3CCOCC3)CCCCC2)o1 ZINC000150933815 1417838624 /nfs/dbraw/zinc/83/86/24/1417838624.db2.gz QHQARFWTUUQHAG-UHFFFAOYSA-N 0 1 398.507 3.058 20 0 GGADMN CC[C@]1(c2ccc(NC(=O)[C@H](N)c3cccc(Cl)c3)cc2)CCC(=O)NC1=O ZINC000150938333 1417839915 /nfs/dbraw/zinc/83/99/15/1417839915.db2.gz YMXVVEIFWQSYNJ-WIYYLYMNSA-N 0 1 399.878 3.063 20 0 GGADMN O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc(CN2CCSCC2)cc1 ZINC000150959675 1417844139 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0 GGADMN O=S(=O)([N-]c1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(Cl)nc1 ZINC000150973946 1417846774 /nfs/dbraw/zinc/84/67/74/1417846774.db2.gz OVKOAQMJFOKGQA-UHFFFAOYSA-N 0 1 385.836 3.474 20 0 GGADMN O=S(=O)(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc(Cl)nc1 ZINC000150973946 1417846776 /nfs/dbraw/zinc/84/67/76/1417846776.db2.gz OVKOAQMJFOKGQA-UHFFFAOYSA-N 0 1 385.836 3.474 20 0 GGADMN CON(C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000150988910 1417850351 /nfs/dbraw/zinc/85/03/51/1417850351.db2.gz LDKFDVYMGMWACT-HXUWFJFHSA-N 0 1 396.491 3.106 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccsc1 ZINC000150990125 1417850779 /nfs/dbraw/zinc/85/07/79/1417850779.db2.gz FBEYGKSLBFDIMV-GFCCVEGCSA-N 0 1 388.474 3.081 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1-c1ncco1 ZINC000151033703 1417859406 /nfs/dbraw/zinc/85/94/06/1417859406.db2.gz XAQIXEAHDHBTLW-MRXNPFEDSA-N 0 1 398.488 3.069 20 0 GGADMN Cn1nc(C2CCCCC2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000151032617 1417859417 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O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)NCc1ccc(F)cc1 ZINC000151113474 1417875022 /nfs/dbraw/zinc/87/50/22/1417875022.db2.gz RMGMFLIUGJXPPJ-UHFFFAOYSA-N 0 1 378.379 3.298 20 0 GGADMN CC(C)[C@@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000151124171 1417877123 /nfs/dbraw/zinc/87/71/23/1417877123.db2.gz HVXXNNVKBGYVRB-HUUCEWRRSA-N 0 1 396.463 3.162 20 0 GGADMN COc1cccc2c1CC[C@@H]2NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000151125358 1417877353 /nfs/dbraw/zinc/87/73/53/1417877353.db2.gz UVPIREUJCNVDBB-IBGZPJMESA-N 0 1 387.524 3.017 20 0 GGADMN CN(C(=O)c1c2c(sc1NC(=O)c1ccco1)CCC2)[C@H]1CCCN(C)C1 ZINC000151136812 1417879479 /nfs/dbraw/zinc/87/94/79/1417879479.db2.gz PHJDUSRGUNABAU-ZDUSSCGKSA-N 0 1 387.505 3.248 20 0 GGADMN COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1C ZINC000151143293 1417881409 /nfs/dbraw/zinc/88/14/09/1417881409.db2.gz SHDZABGKWZUNRM-AWEZNQCLSA-N 0 1 375.494 3.047 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000151144772 1417881608 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3.404 20 0 GGADMN CCC1(CC)[C@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C[C@H]1OC ZINC000151162897 1417885401 /nfs/dbraw/zinc/88/54/01/1417885401.db2.gz NTVXHZBMTYVZPZ-PWIZWCRZSA-N 0 1 388.556 3.500 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826194103 1429220059 /nfs/dbraw/zinc/22/00/59/1429220059.db2.gz AMHATHYWGOZAHL-MRXNPFEDSA-N 0 1 381.505 3.490 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826194103 1429220065 /nfs/dbraw/zinc/22/00/65/1429220065.db2.gz AMHATHYWGOZAHL-MRXNPFEDSA-N 0 1 381.505 3.490 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826194103 1429220070 /nfs/dbraw/zinc/22/00/70/1429220070.db2.gz AMHATHYWGOZAHL-MRXNPFEDSA-N 0 1 381.505 3.490 20 0 GGADMN O=C1[C@H](Sc2nc(-c3ccc4c(c3)CCC4)n[nH]2)CCN1CC(F)(F)F ZINC000151196184 1417891942 /nfs/dbraw/zinc/89/19/42/1417891942.db2.gz AFLOHBDWNVINRQ-CYBMUJFWSA-N 0 1 382.411 3.216 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N[C@H](CC)CCO)cc2Cl)CC1 ZINC000151196958 1417891992 /nfs/dbraw/zinc/89/19/92/1417891992.db2.gz PLGVXWMTFJUSPY-OAHLLOKOSA-N 0 1 382.936 3.155 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@@H](C)C[C@@H](C)O)cc2Cl)CC1 ZINC000151197374 1417892014 /nfs/dbraw/zinc/89/20/14/1417892014.db2.gz VLJIHVRXVZMVEX-JKSUJKDBSA-N 0 1 396.963 3.401 20 0 GGADMN CCCc1c(C(=O)N(C)[C@H]2CCCN(C)C2)nnn1-c1cccc(Cl)c1 ZINC000151202342 1417893046 /nfs/dbraw/zinc/89/30/46/1417893046.db2.gz QDZWCDDGHPSGDW-INIZCTEOSA-N 0 1 375.904 3.039 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000151203231 1417893128 /nfs/dbraw/zinc/89/31/28/1417893128.db2.gz UETLBXMMCNIPCC-UHFFFAOYSA-N 0 1 399.541 3.422 20 0 GGADMN Cc1cc(=O)n2nc(CSc3nc(-c4ccc5c(c4)CCC5)n[nH]3)sc2n1 ZINC000151212558 1417894778 /nfs/dbraw/zinc/89/47/78/1417894778.db2.gz LTVUSXQQOKUOOB-UHFFFAOYSA-N 0 1 396.501 3.026 20 0 GGADMN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000151212590 1417894835 /nfs/dbraw/zinc/89/48/35/1417894835.db2.gz GXLAPLZORGSCPO-UHFFFAOYSA-N 0 1 396.535 3.107 20 0 GGADMN Cc1cc([C@H](C)NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)o1 ZINC000151212791 1417894874 /nfs/dbraw/zinc/89/48/74/1417894874.db2.gz LSNFVFCVZDDWFZ-SCWSEQNSSA-N 0 1 385.508 3.140 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824572903 1429220761 /nfs/dbraw/zinc/22/07/61/1429220761.db2.gz XYXIRRONWWTZIS-BZNIZROVSA-N 0 1 377.370 3.270 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCCC[C@H](SC)C3)n[nH]2)cc1OC ZINC000151232481 1417898899 /nfs/dbraw/zinc/89/88/99/1417898899.db2.gz YSACKUXAIAHXEK-AWEZNQCLSA-N 0 1 375.494 3.452 20 0 GGADMN COc1cc([C@@H](C)NCc2cccnc2N2CCOCC2)ccc1OC(F)F ZINC000151236848 1417899516 /nfs/dbraw/zinc/89/95/16/1417899516.db2.gz IAWDBHWTOANETG-CQSZACIVSA-N 0 1 393.434 3.379 20 0 GGADMN Cn1c(CN[C@@H]2CCN(c3ncccc3F)C2)nc2cc(C(F)(F)F)ccc21 ZINC000151265626 1417908350 /nfs/dbraw/zinc/90/83/50/1417908350.db2.gz VCRYUAFTXWLDQA-CYBMUJFWSA-N 0 1 393.388 3.495 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000151281591 1417913650 /nfs/dbraw/zinc/91/36/50/1417913650.db2.gz LDRCIRYKZSTHOA-UHFFFAOYSA-N 0 1 382.489 3.030 20 0 GGADMN Cc1c([C@H](C)NCc2cccnc2N2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000151281182 1417913681 /nfs/dbraw/zinc/91/36/81/1417913681.db2.gz INBTYFQYZINPBD-INIZCTEOSA-N 0 1 395.482 3.402 20 0 GGADMN Cc1c([C@@H](C)NCc2cccnc2N2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000151281106 1417913858 /nfs/dbraw/zinc/91/38/58/1417913858.db2.gz INBTYFQYZINPBD-MRXNPFEDSA-N 0 1 395.482 3.402 20 0 GGADMN CNC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000151285901 1417914994 /nfs/dbraw/zinc/91/49/94/1417914994.db2.gz AMPCNTGSPYLOAZ-QGZVFWFLSA-N 0 1 383.467 3.344 20 0 GGADMN C[C@@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccn1 ZINC000151315842 1417924436 /nfs/dbraw/zinc/92/44/36/1417924436.db2.gz NEESSNVINNQNML-MRXNPFEDSA-N 0 1 375.900 3.297 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000178914935 1429218476 /nfs/dbraw/zinc/21/84/76/1429218476.db2.gz PPVUTJMQVSLXKN-JKSUJKDBSA-N 0 1 381.542 3.116 20 0 GGADMN C[C@@H](NC(=O)c1ccn(C2CCCC2)n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000151364811 1417937912 /nfs/dbraw/zinc/93/79/12/1417937912.db2.gz JOFVOMAFNJXZGP-MRXNPFEDSA-N 0 1 399.514 3.380 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2NCCc3ccccc32)cc1OCC(F)(F)F ZINC000151377490 1417941658 /nfs/dbraw/zinc/94/16/58/1417941658.db2.gz FTCDKGQOBFDDIV-QGZVFWFLSA-N 0 1 380.366 3.462 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1OCC(F)F ZINC000151379048 1417942491 /nfs/dbraw/zinc/94/24/91/1417942491.db2.gz QROVOFRYVBGJJN-INIZCTEOSA-N 0 1 397.466 3.215 20 0 GGADMN O=C1C(=O)N(CN2CCCN(Cc3ccccc3)CC2)c2cccc(Cl)c21 ZINC000151380521 1417942602 /nfs/dbraw/zinc/94/26/02/1417942602.db2.gz PWWNOSSZBUBYMD-UHFFFAOYSA-N 0 1 383.879 3.035 20 0 GGADMN CC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000178928588 1429221985 /nfs/dbraw/zinc/22/19/85/1429221985.db2.gz YVRMFISQLZIJBR-UHFFFAOYSA-N 0 1 377.448 3.240 20 0 GGADMN CC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000178928588 1429221989 /nfs/dbraw/zinc/22/19/89/1429221989.db2.gz YVRMFISQLZIJBR-UHFFFAOYSA-N 0 1 377.448 3.240 20 0 GGADMN CC[C@H](CCO)NC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000151397551 1417948846 /nfs/dbraw/zinc/94/88/46/1417948846.db2.gz ZXGFBQZYSANBQW-QGZVFWFLSA-N 0 1 390.528 3.174 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000151399348 1417949652 /nfs/dbraw/zinc/94/96/52/1417949652.db2.gz RGPAGOMOILIMPW-HZPDHXFCSA-N 0 1 392.569 3.195 20 0 GGADMN C[C@H](CCC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000151405210 1417952351 /nfs/dbraw/zinc/95/23/51/1417952351.db2.gz LLZSRCDPZBFIJU-GOSISDBHSA-N 0 1 387.568 3.313 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000151406885 1417953377 /nfs/dbraw/zinc/95/33/77/1417953377.db2.gz XCLUZIYFHZSEIN-UHFFFAOYSA-N 0 1 395.507 3.028 20 0 GGADMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000151421084 1417959600 /nfs/dbraw/zinc/95/96/00/1417959600.db2.gz MVSBAQYQPKAIPH-COXVUDFISA-N 0 1 379.501 3.301 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000178932194 1429223710 /nfs/dbraw/zinc/22/37/10/1429223710.db2.gz BDMHFKDMCPHUCY-UIFIKXQLSA-N 0 1 398.551 3.298 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000178932798 1429223741 /nfs/dbraw/zinc/22/37/41/1429223741.db2.gz OESQNQZMKHXLJC-GIVPXCGWSA-N 0 1 398.551 3.216 20 0 GGADMN Brc1cnn(CN2CCN(CCc3ccccc3)CC2)c1C1CC1 ZINC000151437877 1417968202 /nfs/dbraw/zinc/96/82/02/1417968202.db2.gz UUCLUIJRUSMTGA-UHFFFAOYSA-N 0 1 389.341 3.341 20 0 GGADMN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c2ccccc21 ZINC000151438651 1417969266 /nfs/dbraw/zinc/96/92/66/1417969266.db2.gz LJEOEHVQYNANBZ-UTKZUKDTSA-N 0 1 393.535 3.271 20 0 GGADMN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)Cc1[nH]nc2ccccc21 ZINC000151440063 1417970538 /nfs/dbraw/zinc/97/05/38/1417970538.db2.gz ZBXBUQORDICMLK-UHFFFAOYSA-N 0 1 392.381 3.493 20 0 GGADMN CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)C1CC1 ZINC000151444076 1417971990 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3.317 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCO[C@H](c4ccco4)C3)n2)cc1 ZINC000151500259 1418004807 /nfs/dbraw/zinc/00/48/07/1418004807.db2.gz DTXQJGFBHYFLOD-INIZCTEOSA-N 0 1 384.461 3.065 20 0 GGADMN CCCOc1ccc(CN[C@H]2CCN(c3ccccc3OC)C2=O)cc1OC ZINC000151536711 1418017160 /nfs/dbraw/zinc/01/71/60/1418017160.db2.gz XGQBRBIYHWSOBU-KRWDZBQOSA-N 0 1 384.476 3.388 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1=O ZINC000151545611 1418019615 /nfs/dbraw/zinc/01/96/15/1418019615.db2.gz OFTLHDIVMABTNF-KSSFIOAISA-N 0 1 379.460 3.036 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000178962134 1429229662 /nfs/dbraw/zinc/22/96/62/1429229662.db2.gz XQYRWBNTIWVEGU-SFHVURJKSA-N 0 1 376.566 3.127 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1)C1CC1 ZINC000151575149 1418029322 /nfs/dbraw/zinc/02/93/22/1418029322.db2.gz ROLROTUOLAOTSL-UHFFFAOYSA-N 0 1 384.524 3.290 20 0 GGADMN C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420764 1429231877 /nfs/dbraw/zinc/23/18/77/1429231877.db2.gz WQKGCKOXYSVWHH-OAHLLOKOSA-N 0 1 381.455 3.405 20 0 GGADMN COCCC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000151611666 1418039868 /nfs/dbraw/zinc/03/98/68/1418039868.db2.gz ZHDXHLSMTPXDBS-KRWDZBQOSA-N 0 1 399.457 3.396 20 0 GGADMN CC(C)Sc1ccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000151633426 1418045436 /nfs/dbraw/zinc/04/54/36/1418045436.db2.gz SOWDCVARCLJUTE-INIZCTEOSA-N 0 1 379.570 3.346 20 0 GGADMN C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000151649189 1418049826 /nfs/dbraw/zinc/04/98/26/1418049826.db2.gz MPLSTBSFZURSCK-IXDOHACOSA-N 0 1 375.469 3.211 20 0 GGADMN CC[C@@H](COC)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000151651780 1418050836 /nfs/dbraw/zinc/05/08/36/1418050836.db2.gz WCOOJBDAMJNBQV-PXNSSMCTSA-N 0 1 377.506 3.203 20 0 GGADMN COC[C@@H](N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000151653323 1418051135 /nfs/dbraw/zinc/05/11/35/1418051135.db2.gz JKCNDWGCYAXUKP-NHCUHLMSSA-N 0 1 389.517 3.203 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@H](O)c1ccco1)N1CCc2[nH]c3ccccc3c2C1 ZINC000151659200 1418052400 /nfs/dbraw/zinc/05/24/00/1418052400.db2.gz UCIOUBRMGOESEB-KKSFZXQISA-N 0 1 393.487 3.234 20 0 GGADMN COc1cccc(NC(=O)[C@H](NCCCO[C@@H]2CCOC2)c2ccccc2)c1 ZINC000151697167 1418064573 /nfs/dbraw/zinc/06/45/73/1418064573.db2.gz OSJQSTUPTBUQDC-NHCUHLMSSA-N 0 1 384.476 3.160 20 0 GGADMN CCOc1ccc(CN(C)C(=O)CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151697324 1418065033 /nfs/dbraw/zinc/06/50/33/1418065033.db2.gz YXULQMOISSFNSR-QUCCMNQESA-N 0 1 386.492 3.225 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)CO2 ZINC000151710403 1418068894 /nfs/dbraw/zinc/06/88/94/1418068894.db2.gz GPWHSXRRWXSFCI-ZDUSSCGKSA-N 0 1 380.231 3.380 20 0 GGADMN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1[nH]nc2c1CCC2 ZINC000151739899 1418075822 /nfs/dbraw/zinc/07/58/22/1418075822.db2.gz QFWDTXAPKMFDFS-OAHLLOKOSA-N 0 1 385.468 3.112 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 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/nfs/dbraw/zinc/18/67/05/1418186705.db2.gz NRXYRWVGNCHQQH-ZDUSSCGKSA-N 0 1 393.944 3.235 20 0 GGADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000152278238 1418192841 /nfs/dbraw/zinc/19/28/41/1418192841.db2.gz CHYCWXPTBKRBGS-HNAYVOBHSA-N 0 1 390.505 3.029 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(F)cc1Cl ZINC000152298730 1418198726 /nfs/dbraw/zinc/19/87/26/1418198726.db2.gz XRJQOHZJFIVHEB-GFCCVEGCSA-N 0 1 377.851 3.293 20 0 GGADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(F)cc1Cl ZINC000152298730 1418198735 /nfs/dbraw/zinc/19/87/35/1418198735.db2.gz XRJQOHZJFIVHEB-GFCCVEGCSA-N 0 1 377.851 3.293 20 0 GGADMN Cc1nc(N2CCN(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)sc1C ZINC000179012637 1429242897 /nfs/dbraw/zinc/24/28/97/1429242897.db2.gz QXOOIPZEDVKUQN-INIZCTEOSA-N 0 1 380.558 3.139 20 0 GGADMN O=S(=O)(C[C@H]1CCCO1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000179016546 1429243392 /nfs/dbraw/zinc/24/33/92/1429243392.db2.gz PAQYCKIRFIEQFK-QGZVFWFLSA-N 0 1 384.461 3.059 20 0 GGADMN O=S(=O)(C[C@H]1CCCO1)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000179016546 1429243403 /nfs/dbraw/zinc/24/34/03/1429243403.db2.gz PAQYCKIRFIEQFK-QGZVFWFLSA-N 0 1 384.461 3.059 20 0 GGADMN CC[C@H](NC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2)[C@H]1CCCO1 ZINC000179031287 1429246334 /nfs/dbraw/zinc/24/63/34/1429246334.db2.gz OLOKDRUKRPBTQS-ZAAXVRCTSA-N 0 1 387.524 3.059 20 0 GGADMN Fc1c(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cccc1-c1nnn[n-]1 ZINC000826370085 1429246930 /nfs/dbraw/zinc/24/69/30/1429246930.db2.gz CVUIBBPGKUMZSD-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN COc1ccc(COCCCC(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000179059771 1429252361 /nfs/dbraw/zinc/25/23/61/1429252361.db2.gz NEMHBHDSTNRDEP-UHFFFAOYSA-N 0 1 397.519 3.168 20 0 GGADMN O=C(CCN1CCc2ccc(F)cc2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000179075309 1429256037 /nfs/dbraw/zinc/25/60/37/1429256037.db2.gz LLVLXRDGTGUBFO-UHFFFAOYSA-N 0 1 381.451 3.105 20 0 GGADMN O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738390234 1429258546 /nfs/dbraw/zinc/25/85/46/1429258546.db2.gz QQNUKNSPHWTDBX-DYESRHJHSA-N 0 1 393.491 3.086 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736133264 1429258790 /nfs/dbraw/zinc/25/87/90/1429258790.db2.gz QXZFFWSZSWNMRZ-CQSZACIVSA-N 0 1 379.468 3.118 20 0 GGADMN CCCOc1ccccc1NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000179104399 1429263319 /nfs/dbraw/zinc/26/33/19/1429263319.db2.gz ODAZRIOSLWAJKM-OALUTQOASA-N 0 1 383.492 3.232 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1OC ZINC000179106566 1429264330 /nfs/dbraw/zinc/26/43/30/1429264330.db2.gz NLYBXQFTXYREQE-CYBMUJFWSA-N 0 1 377.872 3.109 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000179113335 1429266296 /nfs/dbraw/zinc/26/62/96/1429266296.db2.gz UZMGPECEHUQRFG-GOSISDBHSA-N 0 1 396.535 3.233 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824413307 1429273634 /nfs/dbraw/zinc/27/36/34/1429273634.db2.gz KMLJTYJZGYSTKB-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824413307 1429273639 /nfs/dbraw/zinc/27/36/39/1429273639.db2.gz KMLJTYJZGYSTKB-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824413307 1429273643 /nfs/dbraw/zinc/27/36/43/1429273643.db2.gz KMLJTYJZGYSTKB-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN COC(=O)C[C@H]1CCCN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000179137907 1429274568 /nfs/dbraw/zinc/27/45/68/1429274568.db2.gz WIJSMLNJYPLIOY-QGZVFWFLSA-N 0 1 398.425 3.224 20 0 GGADMN CC1CC[NH+](C[C@H]2CCCN(CCCOc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000820723275 1429274647 /nfs/dbraw/zinc/27/46/47/1429274647.db2.gz YUZUJBQURVKSTF-IBGZPJMESA-N 0 1 398.555 3.080 20 0 GGADMN CC1CC[NH+](C[C@H]2CCCN(CCCOc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000820723275 1429274654 /nfs/dbraw/zinc/27/46/54/1429274654.db2.gz YUZUJBQURVKSTF-IBGZPJMESA-N 0 1 398.555 3.080 20 0 GGADMN COC(=O)C[C@H]1CCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000179162128 1429281865 /nfs/dbraw/zinc/28/18/65/1429281865.db2.gz WEBHACHSYZVNQB-GOSISDBHSA-N 0 1 393.915 3.042 20 0 GGADMN COc1ccccc1OC[C@@H](C)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000179166472 1429283288 /nfs/dbraw/zinc/28/32/88/1429283288.db2.gz RSKULIDHRAECPH-JKSUJKDBSA-N 0 1 391.537 3.374 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)NC1CCN(Cc2ccncc2)CC1 ZINC000179180321 1429287766 /nfs/dbraw/zinc/28/77/66/1429287766.db2.gz QICWSEKKTYQMCN-BHDDXSALSA-N 0 1 376.504 3.074 20 0 GGADMN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)NC1CCN(Cc2ccncc2)CC1 ZINC000179180332 1429287813 /nfs/dbraw/zinc/28/78/13/1429287813.db2.gz QICWSEKKTYQMCN-BHIFYINESA-N 0 1 376.504 3.074 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000823673740 1429294259 /nfs/dbraw/zinc/29/42/59/1429294259.db2.gz NAWPRXNGRTZDTR-IBGZPJMESA-N 0 1 375.432 3.196 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC000179208315 1429294794 /nfs/dbraw/zinc/29/47/94/1429294794.db2.gz PMFGPJGVQUESHP-OKILXGFUSA-N 0 1 389.418 3.201 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCOC(C)(C)C3)c2C1 ZINC000179213046 1429296516 /nfs/dbraw/zinc/29/65/16/1429296516.db2.gz XBFKTYIASNDREM-DOTOQJQBSA-N 0 1 387.524 3.059 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCc2ccc(Cl)cc2C1 ZINC000179214173 1429296713 /nfs/dbraw/zinc/29/67/13/1429296713.db2.gz FTEGQFNNZWILEY-UHFFFAOYSA-N 0 1 384.911 3.467 20 0 GGADMN CN(C)C(=O)[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC000179229355 1429300308 /nfs/dbraw/zinc/30/03/08/1429300308.db2.gz OIYYNLUHXCHOBK-BEFAXECRSA-N 0 1 375.875 3.477 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3cnc4ccc(F)cc4c3)n2)c(OC)c1 ZINC000179233093 1429301447 /nfs/dbraw/zinc/30/14/47/1429301447.db2.gz XSIPCAYEYWBDHR-UHFFFAOYSA-N 0 1 393.378 3.429 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000179236653 1429301808 /nfs/dbraw/zinc/30/18/08/1429301808.db2.gz FXOIZGOGCTWRAS-JOCHJYFZSA-N 0 1 393.531 3.259 20 0 GGADMN CN1CC[C@H](CNC(=O)NCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247515 1429304265 /nfs/dbraw/zinc/30/42/65/1429304265.db2.gz CTKHDABYEHTDHF-BEFAXECRSA-N 0 1 390.890 3.409 20 0 GGADMN c1cnc2c(c1)cccc2OCCCNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2 ZINC000738445279 1429303693 /nfs/dbraw/zinc/30/36/93/1429303693.db2.gz GRZDHONPRWLJQW-UHFFFAOYSA-N 0 1 387.447 3.180 20 0 GGADMN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cc(F)cc2cccnc21 ZINC000179267451 1429308328 /nfs/dbraw/zinc/30/83/28/1429308328.db2.gz HGUFSPOUKRVVGX-UHFFFAOYSA-N 0 1 394.431 3.408 20 0 GGADMN Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1 ZINC000179273352 1429310134 /nfs/dbraw/zinc/31/01/34/1429310134.db2.gz JAKOITZRBHMUGG-UHFFFAOYSA-N 0 1 386.477 3.069 20 0 GGADMN Cn1c(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc2cc(F)ccc21 ZINC000826355433 1429317497 /nfs/dbraw/zinc/31/74/97/1429317497.db2.gz ZJPAPZISBOTDGD-KRWDZBQOSA-N 0 1 391.454 3.102 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccnc(N3CCN(C)CC3)c1)CCC2 ZINC000179301505 1429320895 /nfs/dbraw/zinc/32/08/95/1429320895.db2.gz OBCPVRBZHYYHSH-OAQYLSRUSA-N 0 1 393.535 3.019 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)CCC2 ZINC000179317219 1429326647 /nfs/dbraw/zinc/32/66/47/1429326647.db2.gz XEACXLNUYUQZFW-NRFANRHFSA-N 0 1 393.535 3.019 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179318660 1429327480 /nfs/dbraw/zinc/32/74/80/1429327480.db2.gz NVVDDVNNQPRKMS-UHFFFAOYSA-N 0 1 386.459 3.328 20 0 GGADMN CSc1ccc(Cl)c(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000179319881 1429327910 /nfs/dbraw/zinc/32/79/10/1429327910.db2.gz IAZDTAOJRPMQEL-CVEARBPZSA-N 0 1 390.936 3.427 20 0 GGADMN CSc1ccc(Cl)c(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000179319897 1429328005 /nfs/dbraw/zinc/32/80/05/1429328005.db2.gz IAZDTAOJRPMQEL-HZPDHXFCSA-N 0 1 390.936 3.427 20 0 GGADMN CC1CCN(c2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cn2)CC1 ZINC000179327746 1429329832 /nfs/dbraw/zinc/32/98/32/1429329832.db2.gz FLUYELQMEZKLGG-GOSISDBHSA-N 0 1 394.523 3.333 20 0 GGADMN O=C(NCc1ccccn1)c1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000179327901 1429329856 /nfs/dbraw/zinc/32/98/56/1429329856.db2.gz BNHLCFSMMMHGII-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN O=C(C=Cc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179335122 1429332769 /nfs/dbraw/zinc/33/27/69/1429332769.db2.gz NOUUVEZQTFYVJN-VEGGFIAOSA-N 0 1 388.475 3.287 20 0 GGADMN COc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1OC(F)F ZINC000179332898 1429331547 /nfs/dbraw/zinc/33/15/47/1429331547.db2.gz IRRQDRTWZCAYHZ-GFCCVEGCSA-N 0 1 392.406 3.312 20 0 GGADMN CSc1nc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2ccccn21 ZINC000179333451 1429332388 /nfs/dbraw/zinc/33/23/88/1429332388.db2.gz PXPXDNJRKLRKNC-ZDUSSCGKSA-N 0 1 382.493 3.072 20 0 GGADMN Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000179335153 1429333432 /nfs/dbraw/zinc/33/34/32/1429333432.db2.gz GLTICMDJXRKJPL-CQSZACIVSA-N 0 1 395.507 3.494 20 0 GGADMN O=C(c1ccn(-c2ccccc2F)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179337680 1429333922 /nfs/dbraw/zinc/33/39/22/1429333922.db2.gz YOUGDOMOPJHINO-CQSZACIVSA-N 0 1 380.427 3.027 20 0 GGADMN O=C(c1ccn(-c2ccccc2F)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179337672 1429333994 /nfs/dbraw/zinc/33/39/94/1429333994.db2.gz YOUGDOMOPJHINO-AWEZNQCLSA-N 0 1 380.427 3.027 20 0 GGADMN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179337715 1429334227 /nfs/dbraw/zinc/33/42/27/1429334227.db2.gz HDFNSXBGOYDCFJ-INIZCTEOSA-N 0 1 389.459 3.057 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000179338034 1429334326 /nfs/dbraw/zinc/33/43/26/1429334326.db2.gz NZRWDRZJWSKLSK-NRFANRHFSA-N 0 1 392.503 3.322 20 0 GGADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179340175 1429334973 /nfs/dbraw/zinc/33/49/73/1429334973.db2.gz KUCMIPBFGXHEBU-HNNXBMFYSA-N 0 1 393.495 3.336 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000179341793 1429335422 /nfs/dbraw/zinc/33/54/22/1429335422.db2.gz KELRMXXPEQKAEA-FQEVSTJZSA-N 0 1 396.539 3.456 20 0 GGADMN Cc1cc(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)on1 ZINC000179340596 1429335873 /nfs/dbraw/zinc/33/58/73/1429335873.db2.gz BMSOEGFHPNKVTI-SUMWQHHRSA-N 0 1 380.851 3.268 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618983 1429336612 /nfs/dbraw/zinc/33/66/12/1429336612.db2.gz UICOUBGVGIQCCQ-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179344836 1429336846 /nfs/dbraw/zinc/33/68/46/1429336846.db2.gz WPCHUEXFCSFHBM-LBPRGKRZSA-N 0 1 376.892 3.212 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2cnn(C(C)C)c2n1 ZINC000179349323 1429339240 /nfs/dbraw/zinc/33/92/40/1429339240.db2.gz RCOPCKHPEXNLPP-HNNXBMFYSA-N 0 1 393.495 3.336 20 0 GGADMN COc1cccc(C=CC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1OC(F)F ZINC000179355651 1429341001 /nfs/dbraw/zinc/34/10/01/1429341001.db2.gz CSRPZMXIXAHDHP-MMQHEFTJSA-N 0 1 378.379 3.182 20 0 GGADMN COc1cc(C=CC(=O)N2CCCC[C@@H]2c2nnc[nH]2)ccc1OC(F)F ZINC000179355005 1429341167 /nfs/dbraw/zinc/34/11/67/1429341167.db2.gz KGUSGRJUKOAADX-STMXVASLSA-N 0 1 378.379 3.182 20 0 GGADMN COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC000179356063 1429341260 /nfs/dbraw/zinc/34/12/60/1429341260.db2.gz GFVFWUDCUTYNQB-AWEZNQCLSA-N 0 1 379.464 3.121 20 0 GGADMN CC1(C)CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1 ZINC000179357164 1429341727 /nfs/dbraw/zinc/34/17/27/1429341727.db2.gz QHYANECYBGECEH-AWEZNQCLSA-N 0 1 388.493 3.432 20 0 GGADMN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179346768 1429337694 /nfs/dbraw/zinc/33/76/94/1429337694.db2.gz NZCCEQDZSQGNRC-APWZRJJASA-N 0 1 389.459 3.065 20 0 GGADMN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179346529 1429337729 /nfs/dbraw/zinc/33/77/29/1429337729.db2.gz MLDFBIWDZMEGPN-HNNXBMFYSA-N 0 1 378.480 3.287 20 0 GGADMN Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1 ZINC000179346048 1429337746 /nfs/dbraw/zinc/33/77/46/1429337746.db2.gz ZTKYOZAEQDJDCQ-INIZCTEOSA-N 0 1 376.464 3.196 20 0 GGADMN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179345874 1429337791 /nfs/dbraw/zinc/33/77/91/1429337791.db2.gz HNQRCSYBFQISEL-CQSZACIVSA-N 0 1 397.504 3.136 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1 ZINC000179359837 1429343022 /nfs/dbraw/zinc/34/30/22/1429343022.db2.gz VZLMWPYOSNKCAT-RTBURBONSA-N 0 1 381.524 3.471 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1 ZINC000179359828 1429343424 /nfs/dbraw/zinc/34/34/24/1429343424.db2.gz VZLMWPYOSNKCAT-MOPGFXCFSA-N 0 1 381.524 3.471 20 0 GGADMN CC(C)c1noc2ncc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc21 ZINC000179361562 1429343945 /nfs/dbraw/zinc/34/39/45/1429343945.db2.gz TZDMGLSFZJIRKD-ZDUSSCGKSA-N 0 1 380.452 3.362 20 0 GGADMN O=C(CCc1nnc(-c2ccccc2)o1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179361181 1429344022 /nfs/dbraw/zinc/34/40/22/1429344022.db2.gz MTZADQXTDBEMCO-MRXNPFEDSA-N 0 1 392.463 3.071 20 0 GGADMN O=C(Cc1csc(-c2ccccn2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179361298 1429344146 /nfs/dbraw/zinc/34/41/46/1429344146.db2.gz KDKUCABZGYQFKJ-AWEZNQCLSA-N 0 1 394.504 3.149 20 0 GGADMN CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179363778 1429345187 /nfs/dbraw/zinc/34/51/87/1429345187.db2.gz OQBXLNOFLDTZJJ-DGCLKSJQSA-N 0 1 375.498 3.174 20 0 GGADMN O=C(c1c[nH]nc1-c1c(F)cccc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179364019 1429345337 /nfs/dbraw/zinc/34/53/37/1429345337.db2.gz JYYXNSUTHFHLDS-GFCCVEGCSA-N 0 1 398.417 3.370 20 0 GGADMN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179363746 1429345473 /nfs/dbraw/zinc/34/54/73/1429345473.db2.gz GXJNHASNRHYPMZ-GOSISDBHSA-N 0 1 389.459 3.261 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1)C1CC1 ZINC000179364789 1429345542 /nfs/dbraw/zinc/34/55/42/1429345542.db2.gz YSJCBPFQURIDGJ-MRXNPFEDSA-N 0 1 379.464 3.050 20 0 GGADMN C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000736232610 1429353797 /nfs/dbraw/zinc/35/37/97/1429353797.db2.gz ZUHPMPUKPKZZLA-FXAWDEMLSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000736232610 1429353802 /nfs/dbraw/zinc/35/38/02/1429353802.db2.gz ZUHPMPUKPKZZLA-FXAWDEMLSA-N 0 1 376.508 3.352 20 0 GGADMN C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000736232610 1429353807 /nfs/dbraw/zinc/35/38/07/1429353807.db2.gz ZUHPMPUKPKZZLA-FXAWDEMLSA-N 0 1 376.508 3.352 20 0 GGADMN CCOc1cc(/C=C/C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)ccc1O ZINC000179396338 1429357991 /nfs/dbraw/zinc/35/79/91/1429357991.db2.gz WUTYLWAYSHLSDU-FMAYLGMYSA-N 0 1 384.476 3.232 20 0 GGADMN CCOc1cc(CN2CCCO[C@@H](C)C2)ccc1OCC(=O)N1CCCCC1 ZINC000179398341 1429359168 /nfs/dbraw/zinc/35/91/68/1429359168.db2.gz SEAXGHNKSFSTBQ-SFHVURJKSA-N 0 1 390.524 3.087 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cnc4cc(C)nn4c3C)cn2)n1 ZINC000179399715 1429359198 /nfs/dbraw/zinc/35/91/98/1429359198.db2.gz NRABIBWPTAYMJG-INIZCTEOSA-N 0 1 375.480 3.394 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cnn(Cc4ccccn4)c3)[nH]2)c1 ZINC000179406114 1429361818 /nfs/dbraw/zinc/36/18/18/1429361818.db2.gz GTVAVNZAKUWKKZ-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN Cc1cc2ncc([C@@H](C)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)c(C)n2n1 ZINC000179407264 1429362674 /nfs/dbraw/zinc/36/26/74/1429362674.db2.gz WBWXTZXCFLBZML-QRWLVFNGSA-N 0 1 393.491 3.314 20 0 GGADMN CC(C)OCCCNC(=O)C1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179410874 1429363901 /nfs/dbraw/zinc/36/39/01/1429363901.db2.gz LWPUMHXQPISYJR-UHFFFAOYSA-N 0 1 398.551 3.075 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)c(C)n2n1 ZINC000179418002 1429366260 /nfs/dbraw/zinc/36/62/60/1429366260.db2.gz CRVDBPOCESRQDG-UWJYYQICSA-N 0 1 391.519 3.230 20 0 GGADMN C[C@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000179417503 1429366749 /nfs/dbraw/zinc/36/67/49/1429366749.db2.gz AXKQVIMQYINNAJ-KRWDZBQOSA-N 0 1 398.576 3.411 20 0 GGADMN Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000179424080 1429370179 /nfs/dbraw/zinc/37/01/79/1429370179.db2.gz AEOSYRDEQDBBID-UHFFFAOYSA-N 0 1 394.431 3.255 20 0 GGADMN COCCn1ccc2ccc(NC(=O)NCCN3CCc4ccccc4C3)cc21 ZINC000179439426 1429377057 /nfs/dbraw/zinc/37/70/57/1429377057.db2.gz XBRRHFRBPJSKHC-UHFFFAOYSA-N 0 1 392.503 3.468 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cn(-c3ccc(F)cc3C)nn2)N2CCCC2)o1 ZINC000179432158 1429373649 /nfs/dbraw/zinc/37/36/49/1429373649.db2.gz DDSPWXICIFFJHX-LJQANCHMSA-N 0 1 397.454 3.183 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)nc1 ZINC000179441739 1429378209 /nfs/dbraw/zinc/37/82/09/1429378209.db2.gz NZOHTXASRKQFEL-UHFFFAOYSA-N 0 1 389.503 3.486 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000179454247 1429382556 /nfs/dbraw/zinc/38/25/56/1429382556.db2.gz JUQKZZJJCUOWEH-GFCCVEGCSA-N 0 1 391.821 3.098 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000179445580 1429379301 /nfs/dbraw/zinc/37/93/01/1429379301.db2.gz UQOPGWRGVAYQJO-FQEVSTJZSA-N 0 1 385.552 3.101 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000179448467 1429380536 /nfs/dbraw/zinc/38/05/36/1429380536.db2.gz UXCGRPDUTNYOPP-UHFFFAOYSA-N 0 1 388.533 3.118 20 0 GGADMN CCOc1cc(/C=C/C(=O)Nc2cccc(CN3CCN(C)CC3)c2)ccc1O ZINC000179453034 1429381736 /nfs/dbraw/zinc/38/17/36/1429381736.db2.gz NTLYEDBVJOWJLB-CSKARUKUSA-N 0 1 395.503 3.190 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CCCCN4CCOCC4)C3)[nH]c2c1 ZINC000179452241 1429381979 /nfs/dbraw/zinc/38/19/79/1429381979.db2.gz CVFUQSOTOQLUPQ-SFHVURJKSA-N 0 1 384.524 3.080 20 0 GGADMN O=C(Nc1cccnc1-c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000179463730 1429384274 /nfs/dbraw/zinc/38/42/74/1429384274.db2.gz YBPAYSSWJKRHMY-UHFFFAOYSA-N 0 1 380.492 3.325 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000179465941 1429384911 /nfs/dbraw/zinc/38/49/11/1429384911.db2.gz SXGNJMWBRYVMJT-OAHLLOKOSA-N 0 1 383.496 3.095 20 0 GGADMN Cn1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(-c2cccs2)n1 ZINC000179464493 1429385195 /nfs/dbraw/zinc/38/51/95/1429385195.db2.gz NTUOGGCYKDMFIQ-ZDUSSCGKSA-N 0 1 382.493 3.164 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000179466351 1429385589 /nfs/dbraw/zinc/38/55/89/1429385589.db2.gz PWYNOMFBBMIHEE-AWEZNQCLSA-N 0 1 392.931 3.171 20 0 GGADMN CSCCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000179469459 1429386243 /nfs/dbraw/zinc/38/62/43/1429386243.db2.gz QYEQUKVIGHZEAA-UXHICEINSA-N 0 1 397.544 3.092 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179469564 1429386334 /nfs/dbraw/zinc/38/63/34/1429386334.db2.gz JZJWWETWABYRJF-TZIWHRDSSA-N 0 1 395.503 3.366 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179471960 1429386483 /nfs/dbraw/zinc/38/64/83/1429386483.db2.gz FTDCDCZRFJHVEV-LEWJYISDSA-N 0 1 395.503 3.366 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)[C@H]1c1ccccc1 ZINC000179474240 1429387537 /nfs/dbraw/zinc/38/75/37/1429387537.db2.gz HVLFHGZJRQIQPZ-AZUAARDMSA-N 0 1 395.503 3.364 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)[C@H]1c1ccccc1 ZINC000179476617 1429387757 /nfs/dbraw/zinc/38/77/57/1429387757.db2.gz XUVUIMHHIQPWAD-VQTJNVASSA-N 0 1 395.503 3.364 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000179485160 1429389762 /nfs/dbraw/zinc/38/97/62/1429389762.db2.gz AVMDYZAPPHTIAQ-CQSZACIVSA-N 0 1 399.495 3.237 20 0 GGADMN O=C(NC1CC1)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000179488490 1429391017 /nfs/dbraw/zinc/39/10/17/1429391017.db2.gz WBGLTXQCUPEIRH-NRFANRHFSA-N 0 1 387.487 3.177 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496252 1429395102 /nfs/dbraw/zinc/39/51/02/1429395102.db2.gz JKQFEFXZGYZDEA-YJBOKZPZSA-N 0 1 383.496 3.287 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@H]3CCCN(Cc4ccccc4)C3=O)c(C)n2n1 ZINC000179496979 1429395496 /nfs/dbraw/zinc/39/54/96/1429395496.db2.gz FWRKNTCKBOIULS-JXFKEZNVSA-N 0 1 377.492 3.188 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H]3CCCN(Cc4ccccc4)C3=O)c(C)n2n1 ZINC000179496960 1429395511 /nfs/dbraw/zinc/39/55/11/1429395511.db2.gz FWRKNTCKBOIULS-OXJNMPFZSA-N 0 1 377.492 3.188 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H]2CCCN(Cc3ccccc3)C2=O)s1 ZINC000179497158 1429395632 /nfs/dbraw/zinc/39/56/32/1429395632.db2.gz NPRNAUBRRZUBHN-CRAIPNDOSA-N 0 1 387.549 3.482 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)s1 ZINC000179497196 1429395855 /nfs/dbraw/zinc/39/58/55/1429395855.db2.gz NPRNAUBRRZUBHN-YJBOKZPZSA-N 0 1 387.549 3.482 20 0 GGADMN Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179491377 1429392355 /nfs/dbraw/zinc/39/23/55/1429392355.db2.gz PSJAIDFZCUPXME-IFXJQAMLSA-N 0 1 378.879 3.171 20 0 GGADMN Fc1ccc(OCc2noc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)n2)cc1 ZINC000179492275 1429392654 /nfs/dbraw/zinc/39/26/54/1429392654.db2.gz NCACLINNSYXIDX-AWEZNQCLSA-N 0 1 398.442 3.163 20 0 GGADMN Fc1ccc(OCc2noc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)n2)cc1 ZINC000179492275 1429392664 /nfs/dbraw/zinc/39/26/64/1429392664.db2.gz NCACLINNSYXIDX-AWEZNQCLSA-N 0 1 398.442 3.163 20 0 GGADMN O=C1[C@H](N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CCCN1c1ccccc1F ZINC000179501663 1429398048 /nfs/dbraw/zinc/39/80/48/1429398048.db2.gz LEKFMUDVXOYKAH-MAUKXSAKSA-N 0 1 383.471 3.196 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179504846 1429399603 /nfs/dbraw/zinc/39/96/03/1429399603.db2.gz XIBAACZEUVGJKQ-YOEHRIQHSA-N 0 1 385.487 3.048 20 0 GGADMN CC(C)[C@@H](CNC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1 ZINC000179505617 1429400943 /nfs/dbraw/zinc/40/09/43/1429400943.db2.gz FMZVCKHVUBSZQC-VQTJNVASSA-N 0 1 395.551 3.418 20 0 GGADMN CC[C@H](CC1CCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736351494 1429405915 /nfs/dbraw/zinc/40/59/15/1429405915.db2.gz QIACMBSYYFVTMK-LJQANCHMSA-N 0 1 398.555 3.363 20 0 GGADMN C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1cccnc1OCC(F)F ZINC000179521965 1429408655 /nfs/dbraw/zinc/40/86/55/1429408655.db2.gz OSMRCSBIECTKKV-NSHDSACASA-N 0 1 384.814 3.281 20 0 GGADMN CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000179529035 1429411268 /nfs/dbraw/zinc/41/12/68/1429411268.db2.gz BWWBAOVSFAKBIG-QWHCGFSZSA-N 0 1 375.494 3.312 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000179530799 1429411939 /nfs/dbraw/zinc/41/19/39/1429411939.db2.gz PKYNBAIQDFNYQG-HNNXBMFYSA-N 0 1 390.505 3.167 20 0 GGADMN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000179544841 1429421612 /nfs/dbraw/zinc/42/16/12/1429421612.db2.gz WGRRJNKFCFSJCX-VBKZILBWSA-N 0 1 380.492 3.292 20 0 GGADMN COCCn1nc(C)c(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1C ZINC000179551512 1429426799 /nfs/dbraw/zinc/42/67/99/1429426799.db2.gz WEXFGCDMOLOPIS-KRWDZBQOSA-N 0 1 389.500 3.088 20 0 GGADMN c1ccc(C[NH+]2CCC(Nc3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823779970 1429427806 /nfs/dbraw/zinc/42/78/06/1429427806.db2.gz MKMCMZCTYSXPSP-UHFFFAOYSA-N 0 1 385.475 3.491 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000179567757 1429439015 /nfs/dbraw/zinc/43/90/15/1429439015.db2.gz CFUDRRQVMMOHSW-CYBMUJFWSA-N 0 1 388.349 3.382 20 0 GGADMN CC(C)(NCC(=O)NCc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000179571210 1429441604 /nfs/dbraw/zinc/44/16/04/1429441604.db2.gz WFPGWQBYXKYSQA-UHFFFAOYSA-N 0 1 383.467 3.094 20 0 GGADMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc2[nH]ccc21 ZINC000179573065 1429443084 /nfs/dbraw/zinc/44/30/84/1429443084.db2.gz QMIRMMKNHWFHHM-UHFFFAOYSA-N 0 1 392.503 3.465 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000179576741 1429446649 /nfs/dbraw/zinc/44/66/49/1429446649.db2.gz QCKSYECVRJMXOH-KBPBESRZSA-N 0 1 398.450 3.129 20 0 GGADMN COc1cc(CN2CCC[C@@H](OCCO)C2)ccc1OCc1cccs1 ZINC000179578000 1429448225 /nfs/dbraw/zinc/44/82/25/1429448225.db2.gz JWLFZOFYOGSUFJ-QGZVFWFLSA-N 0 1 377.506 3.309 20 0 GGADMN Cc1cc(NC(=O)CNC(C)(C)c2cccc(F)c2)n(-c2nc(C)cc(C)n2)n1 ZINC000179575207 1429445505 /nfs/dbraw/zinc/44/55/05/1429445505.db2.gz QVZUWOLGWGSTRC-UHFFFAOYSA-N 0 1 396.470 3.190 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc(OC(F)F)c1 ZINC000179583173 1429451806 /nfs/dbraw/zinc/45/18/06/1429451806.db2.gz GKWFGNMDYFSYMC-CYBMUJFWSA-N 0 1 391.418 3.279 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)CCC2 ZINC000179585946 1429454004 /nfs/dbraw/zinc/45/40/04/1429454004.db2.gz AAABTEHESFBHEG-IBGZPJMESA-N 0 1 380.492 3.355 20 0 GGADMN O=C(C1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1)N1CCOCC1 ZINC000179590991 1429457282 /nfs/dbraw/zinc/45/72/82/1429457282.db2.gz LTCPRDIJYUCFMA-UHFFFAOYSA-N 0 1 391.943 3.011 20 0 GGADMN CCN(C1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1)S(C)(=O)=O ZINC000179591569 1429457360 /nfs/dbraw/zinc/45/73/60/1429457360.db2.gz UYRJODYZOBBOTD-UHFFFAOYSA-N 0 1 380.485 3.332 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179594575 1429460860 /nfs/dbraw/zinc/46/08/60/1429460860.db2.gz PDPPGFAWOBFLAI-GFCCVEGCSA-N 0 1 378.375 3.364 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179595252 1429460925 /nfs/dbraw/zinc/46/09/25/1429460925.db2.gz SYKBDORFMKTFCG-QWHCGFSZSA-N 0 1 391.418 3.325 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000736198072 1429460962 /nfs/dbraw/zinc/46/09/62/1429460962.db2.gz QHFDTLDSVDUAKW-CQSZACIVSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc(OC(F)F)c1 ZINC000179591973 1429458321 /nfs/dbraw/zinc/45/83/21/1429458321.db2.gz XCAQUCPSCDPEQL-NEPJUHHUSA-N 0 1 377.391 3.065 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000179591989 1429458498 /nfs/dbraw/zinc/45/84/98/1429458498.db2.gz XCAQUCPSCDPEQL-VXGBXAGGSA-N 0 1 377.391 3.065 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cc(-c3nn[n-]n3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000824884005 1429462513 /nfs/dbraw/zinc/46/25/13/1429462513.db2.gz KOODOKHHUKRPMK-MAUKXSAKSA-N 0 1 382.537 3.413 20 0 GGADMN c1ccc(-c2nc3c(c(N4CCC[C@H](c5nc(C6CC6)n[nH]5)C4)n2)CCC3)nc1 ZINC000179599189 1429463747 /nfs/dbraw/zinc/46/37/47/1429463747.db2.gz CPOHRRNGSFFZCP-HNNXBMFYSA-N 0 1 387.491 3.407 20 0 GGADMN c1ccc(-c2nc3c(c(N4CCC[C@H](c5n[nH]c(C6CC6)n5)C4)n2)CCC3)nc1 ZINC000179599189 1429463753 /nfs/dbraw/zinc/46/37/53/1429463753.db2.gz CPOHRRNGSFFZCP-HNNXBMFYSA-N 0 1 387.491 3.407 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179600201 1429463852 /nfs/dbraw/zinc/46/38/52/1429463852.db2.gz YJRFZOLAELZLNW-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000179600508 1429464805 /nfs/dbraw/zinc/46/48/05/1429464805.db2.gz QFYISBWKXCTCFI-CYBMUJFWSA-N 0 1 391.418 3.279 20 0 GGADMN CC(C)C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nccs1 ZINC000179600467 1429465083 /nfs/dbraw/zinc/46/50/83/1429465083.db2.gz RAKQQLAJNNASCV-XJKSGUPXSA-N 0 1 395.550 3.251 20 0 GGADMN CC(C)C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nccs1 ZINC000179600487 1429465100 /nfs/dbraw/zinc/46/51/00/1429465100.db2.gz RAKQQLAJNNASCV-CZUORRHYSA-N 0 1 395.550 3.251 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179604100 1429466142 /nfs/dbraw/zinc/46/61/42/1429466142.db2.gz OHLXZXDNLOYBST-ZDUSSCGKSA-N 0 1 392.402 3.388 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179605070 1429467341 /nfs/dbraw/zinc/46/73/41/1429467341.db2.gz CHOJRDJRXDIIPD-GFCCVEGCSA-N 0 1 378.375 3.364 20 0 GGADMN Cc1nnc(SC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000179604393 1429467368 /nfs/dbraw/zinc/46/73/68/1429467368.db2.gz BUCHYCPKOADFFZ-QGZVFWFLSA-N 0 1 388.518 3.233 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(OC(F)F)cc1 ZINC000179605287 1429467738 /nfs/dbraw/zinc/46/77/38/1429467738.db2.gz IQNJRDZJQMMBIF-ZDUSSCGKSA-N 0 1 391.418 3.279 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1sccc1C(N)=O ZINC000179609276 1429469327 /nfs/dbraw/zinc/46/93/27/1429469327.db2.gz JCNDKVPERAXQMZ-NXEZZACHSA-N 0 1 383.420 3.126 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179609877 1429469553 /nfs/dbraw/zinc/46/95/53/1429469553.db2.gz IEMKTCVJJLOABF-HXUWFJFHSA-N 0 1 387.911 3.462 20 0 GGADMN CC(C)[C@@H](CNC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)c1ccccc1 ZINC000179614323 1429471625 /nfs/dbraw/zinc/47/16/25/1429471625.db2.gz LDGKKEITISOKLQ-GOSISDBHSA-N 0 1 375.557 3.073 20 0 GGADMN Cn1cc(C[N@H+]2CCC3(C2)CCCCC3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360683 1429470058 /nfs/dbraw/zinc/47/00/58/1429470058.db2.gz UGSHTFPTQHJFML-UHFFFAOYSA-N 0 1 377.496 3.423 20 0 GGADMN Cn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360683 1429470065 /nfs/dbraw/zinc/47/00/65/1429470065.db2.gz UGSHTFPTQHJFML-UHFFFAOYSA-N 0 1 377.496 3.423 20 0 GGADMN Cn1cc(C[N@H+]2CCC3(C2)CCCCC3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360683 1429470069 /nfs/dbraw/zinc/47/00/69/1429470069.db2.gz UGSHTFPTQHJFML-UHFFFAOYSA-N 0 1 377.496 3.423 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179612933 1429470812 /nfs/dbraw/zinc/47/08/12/1429470812.db2.gz HRLRRTVJCCFDKH-AWEZNQCLSA-N 0 1 378.419 3.306 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C[C@H](O)c2ccc(Cl)cc2)N(C)C)c1 ZINC000179618473 1429473801 /nfs/dbraw/zinc/47/38/01/1429473801.db2.gz NYEGNBGUJMXKCF-MOPGFXCFSA-N 0 1 376.884 3.191 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1OC ZINC000179620951 1429474730 /nfs/dbraw/zinc/47/47/30/1429474730.db2.gz FXFBRUHCBTZFTP-IEZWGBDMSA-N 0 1 392.540 3.374 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000179625261 1429476571 /nfs/dbraw/zinc/47/65/71/1429476571.db2.gz NDJYKRYIKBATEL-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000179626444 1429476921 /nfs/dbraw/zinc/47/69/21/1429476921.db2.gz SLBDWHUYFVBBQK-MRXNPFEDSA-N 0 1 386.492 3.126 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(OC(F)F)cc1 ZINC000179614609 1429471763 /nfs/dbraw/zinc/47/17/63/1429471763.db2.gz VLNGXPFMTSDAPU-GFCCVEGCSA-N 0 1 378.375 3.349 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000737032863 1429472089 /nfs/dbraw/zinc/47/20/89/1429472089.db2.gz OUEVNWWLHVENDL-HNNXBMFYSA-N 0 1 379.464 3.480 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cn(C)nc2-c2ccccc2)N(C)C)c1 ZINC000179618437 1429472821 /nfs/dbraw/zinc/47/28/21/1429472821.db2.gz FYTBCLMOANJVQF-FQEVSTJZSA-N 0 1 378.476 3.128 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000179633095 1429481438 /nfs/dbraw/zinc/48/14/38/1429481438.db2.gz ALSFNWWXQPCQCL-HNAYVOBHSA-N 0 1 388.462 3.138 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196623 1429480646 /nfs/dbraw/zinc/48/06/46/1429480646.db2.gz LAFJGJRPFKRFPJ-LSDHHAIUSA-N 0 1 386.500 3.117 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196623 1429480650 /nfs/dbraw/zinc/48/06/50/1429480650.db2.gz LAFJGJRPFKRFPJ-LSDHHAIUSA-N 0 1 386.500 3.117 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196623 1429480652 /nfs/dbraw/zinc/48/06/52/1429480652.db2.gz LAFJGJRPFKRFPJ-LSDHHAIUSA-N 0 1 386.500 3.117 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000179632899 1429480923 /nfs/dbraw/zinc/48/09/23/1429480923.db2.gz LINBZKYBLPYFHQ-MRXNPFEDSA-N 0 1 386.492 3.030 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)NCc2cc(F)cc(F)c2)cc1OC ZINC000179631331 1429481046 /nfs/dbraw/zinc/48/10/46/1429481046.db2.gz APRGECAARNZRDY-CYBMUJFWSA-N 0 1 378.419 3.257 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179632909 1429481669 /nfs/dbraw/zinc/48/16/69/1429481669.db2.gz LINBZKYBLPYFHQ-INIZCTEOSA-N 0 1 386.492 3.030 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000179633121 1429481779 /nfs/dbraw/zinc/48/17/79/1429481779.db2.gz ALSFNWWXQPCQCL-DNVCBOLYSA-N 0 1 388.462 3.138 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179637286 1429483299 /nfs/dbraw/zinc/48/32/99/1429483299.db2.gz QQXAKAXKRIWQHG-KRWDZBQOSA-N 0 1 394.519 3.046 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@H]1c1ccccc1 ZINC000736286795 1429485459 /nfs/dbraw/zinc/48/54/59/1429485459.db2.gz NNYRSYBSUMFWBH-OXJNMPFZSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000736286795 1429485462 /nfs/dbraw/zinc/48/54/62/1429485462.db2.gz NNYRSYBSUMFWBH-OXJNMPFZSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1c1ccccc1 ZINC000736286795 1429485466 /nfs/dbraw/zinc/48/54/66/1429485466.db2.gz NNYRSYBSUMFWBH-OXJNMPFZSA-N 0 1 390.491 3.321 20 0 GGADMN CCCCc1nnc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179642760 1429486441 /nfs/dbraw/zinc/48/64/41/1429486441.db2.gz JXKCWNPQGBYAPQ-LBPRGKRZSA-N 0 1 375.502 3.288 20 0 GGADMN Cc1cc(NC(=O)C2CCN(Cc3c(C4CC4)nc4sccn34)CC2)no1 ZINC000179645360 1429487135 /nfs/dbraw/zinc/48/71/35/1429487135.db2.gz JYVBLYKGCURBJQ-UHFFFAOYSA-N 0 1 385.493 3.420 20 0 GGADMN Cc1cccc(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1C ZINC000179647803 1429488356 /nfs/dbraw/zinc/48/83/56/1429488356.db2.gz RLORJWKBDUFMEK-KRWDZBQOSA-N 0 1 395.503 3.250 20 0 GGADMN CCc1cccc(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000179647499 1429488464 /nfs/dbraw/zinc/48/84/64/1429488464.db2.gz NZMNNMXHSIBUDA-MRXNPFEDSA-N 0 1 395.503 3.196 20 0 GGADMN Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)s1 ZINC000179651279 1429489997 /nfs/dbraw/zinc/48/99/97/1429489997.db2.gz SCRAXPMXEQTSGX-UHFFFAOYSA-N 0 1 378.404 3.468 20 0 GGADMN CCC[C@H]1CN(C(=O)c2c(=O)[nH]nc(CC)c2CC)CCN1Cc1ccccc1 ZINC000179660771 1429495523 /nfs/dbraw/zinc/49/55/23/1429495523.db2.gz JEIKEKKGYDZPBO-SFHVURJKSA-N 0 1 396.535 3.021 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cccnc2-n2cccn2)CCN1Cc1ccccc1 ZINC000179653741 1429491626 /nfs/dbraw/zinc/49/16/26/1429491626.db2.gz DRCTYYZXMGATIN-FQEVSTJZSA-N 0 1 389.503 3.394 20 0 GGADMN Cc1nc2ccccc2nc1CN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179653589 1429491689 /nfs/dbraw/zinc/49/16/89/1429491689.db2.gz JGNSDILSZQXWSB-OAHLLOKOSA-N 0 1 390.487 3.446 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2c(=O)[nH]nc(CC)c2CC)CCN1Cc1ccccc1 ZINC000179660760 1429495564 /nfs/dbraw/zinc/49/55/64/1429495564.db2.gz JEIKEKKGYDZPBO-GOSISDBHSA-N 0 1 396.535 3.021 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CCN1Cc1ccccc1 ZINC000179656344 1429493326 /nfs/dbraw/zinc/49/33/26/1429493326.db2.gz YCUVSBNGETVCAJ-NRFANRHFSA-N 0 1 389.503 3.394 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000179655869 1429493482 /nfs/dbraw/zinc/49/34/82/1429493482.db2.gz TXMKABNWCQHRQY-DDUZABMNSA-N 0 1 383.895 3.292 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000824938233 1429493531 /nfs/dbraw/zinc/49/35/31/1429493531.db2.gz UZGVWPGDRQDLPJ-KGLIPLIRSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824938233 1429493533 /nfs/dbraw/zinc/49/35/33/1429493533.db2.gz UZGVWPGDRQDLPJ-KGLIPLIRSA-N 0 1 376.455 3.236 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824938233 1429493535 /nfs/dbraw/zinc/49/35/35/1429493535.db2.gz UZGVWPGDRQDLPJ-KGLIPLIRSA-N 0 1 376.455 3.236 20 0 GGADMN CC(C)Oc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)cc1-c1nnn[n-]1 ZINC000824329432 1429493786 /nfs/dbraw/zinc/49/37/86/1429493786.db2.gz QBRXVGCHUBTWEY-UHFFFAOYSA-N 0 1 396.495 3.206 20 0 GGADMN COc1ccc(Cl)cc1[C@H](CC(C)C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC000179664148 1429497217 /nfs/dbraw/zinc/49/72/17/1429497217.db2.gz NMPIEJRQCCVYGS-SFHVURJKSA-N 0 1 392.931 3.418 20 0 GGADMN O=C(NCc1cc(F)ccc1F)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179666345 1429497907 /nfs/dbraw/zinc/49/79/07/1429497907.db2.gz DFQCRXMXBIBMGV-UHFFFAOYSA-N 0 1 380.301 3.034 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000179669620 1429499187 /nfs/dbraw/zinc/49/91/87/1429499187.db2.gz BKCPSLWNKIJQLY-MRXNPFEDSA-N 0 1 383.492 3.465 20 0 GGADMN CCCc1cc(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n(C)n1 ZINC000179670736 1429499985 /nfs/dbraw/zinc/49/99/85/1429499985.db2.gz UJTWMUAZXCOGGZ-IRXDYDNUSA-N 0 1 399.539 3.304 20 0 GGADMN CN1CCN(CCNC(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)CC1 ZINC000179670957 1429500024 /nfs/dbraw/zinc/50/00/24/1429500024.db2.gz OKXHSLXRINIDNR-UHFFFAOYSA-N 0 1 389.952 3.468 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000179673412 1429501669 /nfs/dbraw/zinc/50/16/69/1429501669.db2.gz DQLWYFAYJNZGIL-UHFFFAOYSA-N 0 1 397.906 3.127 20 0 GGADMN O=C(CNC1(c2cccc(Cl)c2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000179674805 1429502345 /nfs/dbraw/zinc/50/23/45/1429502345.db2.gz MQRVWLBSQMFTFG-UHFFFAOYSA-N 0 1 385.895 3.394 20 0 GGADMN C[C@@H](c1cccc(O)c1)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179682469 1429505468 /nfs/dbraw/zinc/50/54/68/1429505468.db2.gz WLVAVEOOIFVYMF-JTQLQIEISA-N 0 1 388.374 3.364 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCN1CCOC ZINC000179676563 1429502799 /nfs/dbraw/zinc/50/27/99/1429502799.db2.gz HCNRRBCUPAGCRZ-DLBZAZTESA-N 0 1 381.948 3.408 20 0 GGADMN C[C@H](c1cccc(O)c1)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179682479 1429505614 /nfs/dbraw/zinc/50/56/14/1429505614.db2.gz WLVAVEOOIFVYMF-SNVBAGLBSA-N 0 1 388.374 3.364 20 0 GGADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179686809 1429507556 /nfs/dbraw/zinc/50/75/56/1429507556.db2.gz QDWWZSGXIDFDBU-UHFFFAOYSA-N 0 1 384.451 3.224 20 0 GGADMN C[C@H](NCC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 ZINC000179687102 1429507627 /nfs/dbraw/zinc/50/76/27/1429507627.db2.gz JAZUPEJXMKBUAZ-KRWDZBQOSA-N 0 1 376.460 3.023 20 0 GGADMN NC(=NOCc1ncc(Cl)cc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000179689307 1429508324 /nfs/dbraw/zinc/50/83/24/1429508324.db2.gz DFRBTCWQEJLQNZ-UHFFFAOYSA-N 0 1 395.290 3.187 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1cccc(OCc2ccccn2)c1 ZINC000179690703 1429508966 /nfs/dbraw/zinc/50/89/66/1429508966.db2.gz JVBRTFPOUBAWLZ-MRXNPFEDSA-N 0 1 396.491 3.080 20 0 GGADMN CCNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179699066 1429512095 /nfs/dbraw/zinc/51/20/95/1429512095.db2.gz NZEPSULARUAXPR-MRXNPFEDSA-N 0 1 396.495 3.152 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2cc(C)no2)ccc1OCc1ccncc1 ZINC000179699272 1429512249 /nfs/dbraw/zinc/51/22/49/1429512249.db2.gz WGSQEZGPTLUUDV-HNNXBMFYSA-N 0 1 396.447 3.255 20 0 GGADMN CC(=O)OC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179699439 1429512273 /nfs/dbraw/zinc/51/22/73/1429512273.db2.gz YBAAPCANMQZKSH-UHFFFAOYSA-N 0 1 378.270 3.162 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCc2ccco2)ccc1OCc1ccncc1 ZINC000179699063 1429512439 /nfs/dbraw/zinc/51/24/39/1429512439.db2.gz IMFFAGALPBUADM-INIZCTEOSA-N 0 1 395.459 3.229 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2cc(C)on2)ccc1OCc1ccncc1 ZINC000179700883 1429512849 /nfs/dbraw/zinc/51/28/49/1429512849.db2.gz CBVKSISQGGYQJP-OAHLLOKOSA-N 0 1 396.447 3.255 20 0 GGADMN O=C(CNC1(c2cccc(F)c2)CC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000179702322 1429513978 /nfs/dbraw/zinc/51/39/78/1429513978.db2.gz BRQWCCIEDAUJFH-UHFFFAOYSA-N 0 1 395.478 3.282 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCC2CCC2)ccc1OCc1ccncc1 ZINC000179706022 1429515066 /nfs/dbraw/zinc/51/50/66/1429515066.db2.gz YYXWSXWVSLKPBV-MRXNPFEDSA-N 0 1 383.492 3.236 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NC2CCCC2)ccc1OCc1ccncc1 ZINC000179705688 1429515140 /nfs/dbraw/zinc/51/51/40/1429515140.db2.gz UMRXCOCXUZYFCS-MRXNPFEDSA-N 0 1 383.492 3.379 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179705093 1429515264 /nfs/dbraw/zinc/51/52/64/1429515264.db2.gz GTJQAVJNLLIJQN-INIZCTEOSA-N 0 1 396.495 3.104 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000179711680 1429517904 /nfs/dbraw/zinc/51/79/04/1429517904.db2.gz AAUABJJDDSDSKK-IRXDYDNUSA-N 0 1 380.851 3.273 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(F)c(F)c1 ZINC000179713162 1429518308 /nfs/dbraw/zinc/51/83/08/1429518308.db2.gz YKMHFRWYOOZRQU-QZTJIDSGSA-N 0 1 393.434 3.382 20 0 GGADMN CC[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1OC(F)F ZINC000179715469 1429519017 /nfs/dbraw/zinc/51/90/17/1429519017.db2.gz JONHVMXMLCTLNH-HNNXBMFYSA-N 0 1 392.402 3.374 20 0 GGADMN CC[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccccc1OC(F)F ZINC000179721301 1429521992 /nfs/dbraw/zinc/52/19/92/1429521992.db2.gz VFNIMICHYVPRFE-CQSZACIVSA-N 0 1 397.447 3.416 20 0 GGADMN O=C(Nc1ccc2oc(=O)ccc2c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179716348 1429519884 /nfs/dbraw/zinc/51/98/84/1429519884.db2.gz MOMXMBURAZBIGE-CQSZACIVSA-N 0 1 379.420 3.200 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179717608 1429520405 /nfs/dbraw/zinc/52/04/05/1429520405.db2.gz ZFAAUGNNAIESCF-OAHLLOKOSA-N 0 1 383.452 3.189 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000179719041 1429521125 /nfs/dbraw/zinc/52/11/25/1429521125.db2.gz XWANYJYWFBJGTL-MWLCHTKSSA-N 0 1 397.344 3.105 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1OC(F)F ZINC000179721985 1429522069 /nfs/dbraw/zinc/52/20/69/1429522069.db2.gz YHGFEAMEQCUPEC-BLLLJJGKSA-N 0 1 391.418 3.455 20 0 GGADMN Cc1c(C(=O)Nc2cccc(Cl)c2O)cnn1CCO[C@H]1CCCCO1 ZINC000179721498 1429521676 /nfs/dbraw/zinc/52/16/76/1429521676.db2.gz AVONVFSDMQDASG-INIZCTEOSA-N 0 1 379.844 3.346 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000822016354 1429521730 /nfs/dbraw/zinc/52/17/30/1429521730.db2.gz YKKPSNOXTVZTEF-BETUJISGSA-N 0 1 385.516 3.211 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000179720732 1429522146 /nfs/dbraw/zinc/52/21/46/1429522146.db2.gz OBWTZGSCPQCRRX-GOSISDBHSA-N 0 1 394.302 3.203 20 0 GGADMN CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179726180 1429524049 /nfs/dbraw/zinc/52/40/49/1429524049.db2.gz OWLPLVXHYBCQFB-MRXNPFEDSA-N 0 1 396.495 3.232 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)NC1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000179726172 1429524196 /nfs/dbraw/zinc/52/41/96/1429524196.db2.gz HOHJIZLAGIIOCT-LPHOPBHVSA-N 0 1 389.540 3.032 20 0 GGADMN CS[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179725875 1429524339 /nfs/dbraw/zinc/52/43/39/1429524339.db2.gz BNWRSOAKMMERSR-KOLCDFICSA-N 0 1 382.436 3.229 20 0 GGADMN CCOc1ccccc1[C@H](CC)NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000179733672 1429527658 /nfs/dbraw/zinc/52/76/58/1429527658.db2.gz WFDBTNNPUQHHSA-FQEVSTJZSA-N 0 1 385.508 3.063 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152300375 1422067310 /nfs/dbraw/zinc/06/73/10/1422067310.db2.gz STVRFTKTOUPACN-BBRMVZONSA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152300375 1422067316 /nfs/dbraw/zinc/06/73/16/1422067316.db2.gz STVRFTKTOUPACN-BBRMVZONSA-N 0 1 381.480 3.091 20 0 GGADMN COC(=O)[C@H](NCc1ccccc1CN(C)Cc1ccco1)c1cccnc1 ZINC000152341072 1422077203 /nfs/dbraw/zinc/07/72/03/1422077203.db2.gz NWBBDNDKOZQSPZ-OAQYLSRUSA-N 0 1 379.460 3.311 20 0 GGADMN COc1c(F)cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1F ZINC000179730460 1429526568 /nfs/dbraw/zinc/52/65/68/1429526568.db2.gz XXEYAOIESCISDE-NSHDSACASA-N 0 1 377.395 3.380 20 0 GGADMN CN(CCC(=O)OC(C)(C)C)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000152345453 1422079240 /nfs/dbraw/zinc/07/92/40/1422079240.db2.gz XJPZHOKRUPEUDV-UHFFFAOYSA-N 0 1 378.538 3.039 20 0 GGADMN NC(=O)c1cccc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000152349610 1422080651 /nfs/dbraw/zinc/08/06/51/1422080651.db2.gz LPHYUYSQSVNALY-UHFFFAOYSA-N 0 1 377.419 3.467 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179731517 1429527095 /nfs/dbraw/zinc/52/70/95/1429527095.db2.gz STXJMNFSBQONPY-LLVKDONJSA-N 0 1 375.502 3.243 20 0 GGADMN O=C(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)NC(c1ccccc1)c1ccccc1 ZINC000152383006 1422088468 /nfs/dbraw/zinc/08/84/68/1422088468.db2.gz BEJQBERDTSXPPX-FCHUYYIVSA-N 0 1 394.515 3.162 20 0 GGADMN CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821220730 1429533771 /nfs/dbraw/zinc/53/37/71/1429533771.db2.gz FGBIRHPOWIMCTP-KRWDZBQOSA-N 0 1 391.397 3.441 20 0 GGADMN C[C@H](CNC(=O)NC[C@H](C[C@H](C)O)c1ccccc1)N1CCc2ccccc2C1 ZINC000152403549 1422094517 /nfs/dbraw/zinc/09/45/17/1422094517.db2.gz LZLODBBZDPUTEJ-MSYCTHLASA-N 0 1 395.547 3.287 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3nncn3Cc3ccccc3)[nH]2)c1 ZINC000152410796 1422095492 /nfs/dbraw/zinc/09/54/92/1422095492.db2.gz NGFUIISTPGOXOO-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN CCOC(=O)c1cnc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(Cl)c1 ZINC000152411698 1422096213 /nfs/dbraw/zinc/09/62/13/1422096213.db2.gz WDROEXJEZRKUCA-INIZCTEOSA-N 0 1 393.846 3.084 20 0 GGADMN C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000152418737 1422097917 /nfs/dbraw/zinc/09/79/17/1422097917.db2.gz LNZGJADBSPLSEI-ZDUSSCGKSA-N 0 1 389.496 3.353 20 0 GGADMN CCNC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1 ZINC000152419974 1422098682 /nfs/dbraw/zinc/09/86/82/1422098682.db2.gz CVJNSYNLPAAGAN-UHFFFAOYSA-N 0 1 379.420 3.479 20 0 GGADMN C[C@@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000152420824 1422098956 /nfs/dbraw/zinc/09/89/56/1422098956.db2.gz WIOXKQNARGLLSB-OPYAIIAOSA-N 0 1 392.503 3.082 20 0 GGADMN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000152424826 1422100170 /nfs/dbraw/zinc/10/01/70/1422100170.db2.gz OLOGHLNXSGTGCT-LJQANCHMSA-N 0 1 391.556 3.271 20 0 GGADMN O=c1ccc2cc(NS(=O)(=O)c3cc(F)ccc3Br)ccc2o1 ZINC000152431829 1422101883 /nfs/dbraw/zinc/10/18/83/1422101883.db2.gz IGBNOZDIKADTPU-UHFFFAOYSA-N 0 1 398.209 3.495 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(Cl)c(N)c(Cl)c3)n2)cc1 ZINC000152438591 1422103377 /nfs/dbraw/zinc/10/33/77/1422103377.db2.gz CQRSRVKZIZNCRF-UHFFFAOYSA-N 0 1 392.246 3.299 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cc(Cl)c(N)c(Cl)c3)n[nH]2)cc1 ZINC000152438591 1422103380 /nfs/dbraw/zinc/10/33/80/1422103380.db2.gz CQRSRVKZIZNCRF-UHFFFAOYSA-N 0 1 392.246 3.299 20 0 GGADMN CN(CC(=O)NCc1ccccc1COc1ccccc1)CC1(O)CCCC1 ZINC000152459013 1422109320 /nfs/dbraw/zinc/10/93/20/1422109320.db2.gz RDFGRLAPLVDPDW-UHFFFAOYSA-N 0 1 382.504 3.119 20 0 GGADMN COC1CCC(CC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000152457608 1422109452 /nfs/dbraw/zinc/10/94/52/1422109452.db2.gz DZYDERFURDUNCZ-UHFFFAOYSA-N 0 1 387.568 3.219 20 0 GGADMN COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)C[C@@H]1C ZINC000152465236 1422110952 /nfs/dbraw/zinc/11/09/52/1422110952.db2.gz WAVJHHIMYCTASC-HDICACEKSA-N 0 1 385.512 3.062 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)C[C@@H]1C ZINC000152465236 1422110954 /nfs/dbraw/zinc/11/09/54/1422110954.db2.gz WAVJHHIMYCTASC-HDICACEKSA-N 0 1 385.512 3.062 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)CN2C[C@H]3CCCC[C@@]32c2ccccc2)CC1 ZINC000152477401 1422114677 /nfs/dbraw/zinc/11/46/77/1422114677.db2.gz PRSBKHYZFMMIKC-AUSIDOKSSA-N 0 1 399.535 3.125 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1nccn1CC(F)(F)F ZINC000152486853 1422116903 /nfs/dbraw/zinc/11/69/03/1422116903.db2.gz RNIIZCADJBJWCY-CHWSQXEVSA-N 0 1 376.423 3.371 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1C(=O)N(C)C ZINC000152491143 1422118563 /nfs/dbraw/zinc/11/85/63/1422118563.db2.gz KXLQKKKZCFEOCX-IBGZPJMESA-N 0 1 386.471 3.260 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cnn(C(C)C)c3C3CC3)n2)cc1 ZINC000152494272 1422120326 /nfs/dbraw/zinc/12/03/26/1422120326.db2.gz OXIVVWATCMIKCP-UHFFFAOYSA-N 0 1 380.452 3.065 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cnn(C(C)C)c3C3CC3)n[nH]2)cc1 ZINC000152494272 1422120331 /nfs/dbraw/zinc/12/03/31/1422120331.db2.gz OXIVVWATCMIKCP-UHFFFAOYSA-N 0 1 380.452 3.065 20 0 GGADMN O=C(CN(CCCCO)C1CC1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000152516274 1422128388 /nfs/dbraw/zinc/12/83/88/1422128388.db2.gz QJJVBUOCLDMFHZ-JOCHJYFZSA-N 0 1 384.545 3.459 20 0 GGADMN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000152515853 1422128504 /nfs/dbraw/zinc/12/85/04/1422128504.db2.gz DXMNCBCVKVXECD-LALPHHSUSA-N 0 1 399.322 3.030 20 0 GGADMN COCCOc1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179745320 1429533943 /nfs/dbraw/zinc/53/39/43/1429533943.db2.gz HZRZZDGZVQYQRW-HNNXBMFYSA-N 0 1 385.468 3.119 20 0 GGADMN COC(=O)C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C(C)C ZINC000179743598 1429533216 /nfs/dbraw/zinc/53/32/16/1429533216.db2.gz LRXZYORDDHJTFT-UHFFFAOYSA-N 0 1 395.091 3.301 20 0 GGADMN COC(=O)C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C(C)C ZINC000179743598 1429533222 /nfs/dbraw/zinc/53/32/22/1429533222.db2.gz LRXZYORDDHJTFT-UHFFFAOYSA-N 0 1 395.091 3.301 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179744524 1429533267 /nfs/dbraw/zinc/53/32/67/1429533267.db2.gz HWLCMJLLYXMCTL-JOCHJYFZSA-N 0 1 382.460 3.454 20 0 GGADMN O=C(NCCCNc1ccccc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179743979 1429533321 /nfs/dbraw/zinc/53/33/21/1429533321.db2.gz ZZVHJPZULCOVLR-UHFFFAOYSA-N 0 1 387.390 3.057 20 0 GGADMN CC(C)OCc1ccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000152549565 1422139646 /nfs/dbraw/zinc/13/96/46/1422139646.db2.gz WMGVTQQPUKXMAG-QFIPXVFZSA-N 0 1 392.503 3.365 20 0 GGADMN C[C@@H](C[C@H](O)c1ccco1)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000152551479 1422140595 /nfs/dbraw/zinc/14/05/95/1422140595.db2.gz DPNRXODBTGGKGV-KXBFYZLASA-N 0 1 389.471 3.195 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826156161 1429533680 /nfs/dbraw/zinc/53/36/80/1429533680.db2.gz RQWOJFSZCAMVPP-UHFFFAOYSA-N 0 1 387.509 3.018 20 0 GGADMN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826156161 1429533685 /nfs/dbraw/zinc/53/36/85/1429533685.db2.gz RQWOJFSZCAMVPP-UHFFFAOYSA-N 0 1 387.509 3.018 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826156161 1429533689 /nfs/dbraw/zinc/53/36/89/1429533689.db2.gz RQWOJFSZCAMVPP-UHFFFAOYSA-N 0 1 387.509 3.018 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000152580483 1422151211 /nfs/dbraw/zinc/15/12/11/1422151211.db2.gz MODNQUQDRCNOAM-PXNSSMCTSA-N 0 1 385.508 3.409 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000152580450 1422151340 /nfs/dbraw/zinc/15/13/40/1422151340.db2.gz MODNQUQDRCNOAM-FXAWDEMLSA-N 0 1 385.508 3.409 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)cc1 ZINC000152585938 1422153052 /nfs/dbraw/zinc/15/30/52/1422153052.db2.gz WIGDWFFBXPNHAG-UHFFFAOYSA-N 0 1 387.461 3.007 20 0 GGADMN CCN(CC(=O)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(C)C)C1CC1 ZINC000152587481 1422153687 /nfs/dbraw/zinc/15/36/87/1422153687.db2.gz PKXHDLCZDAWFFG-UHFFFAOYSA-N 0 1 384.480 3.027 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000152594768 1422155842 /nfs/dbraw/zinc/15/58/42/1422155842.db2.gz MJOTTZDKQADYIP-JTQLQIEISA-N 0 1 375.252 3.438 20 0 GGADMN CCOc1ccccc1[C@H](CC)N[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000179745128 1429534189 /nfs/dbraw/zinc/53/41/89/1429534189.db2.gz JPCNFGDAAUDFHE-DOMZBBRYSA-N 0 1 375.494 3.314 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000179745113 1429534287 /nfs/dbraw/zinc/53/42/87/1429534287.db2.gz JPCNFGDAAUDFHE-SWLSCSKDSA-N 0 1 375.494 3.314 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CC[C@H](CO)CC1)N1CCCCC1 ZINC000152602008 1422159466 /nfs/dbraw/zinc/15/94/66/1422159466.db2.gz BXGFBFCSKNLYQP-NSHGMRRFSA-N 0 1 389.540 3.073 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000152608176 1422161834 /nfs/dbraw/zinc/16/18/34/1422161834.db2.gz PVPAQBFXQCGGDT-PBHICJAKSA-N 0 1 376.884 3.452 20 0 GGADMN Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(=O)[nH]1 ZINC000152620450 1422171160 /nfs/dbraw/zinc/17/11/60/1422171160.db2.gz GDCKICXQLNIKAP-SCLBCKFNSA-N 0 1 377.847 3.311 20 0 GGADMN Cn1cc(CNCc2cc3c(cc2OC(F)F)OCO3)c(-c2cccnc2)n1 ZINC000152623990 1422174176 /nfs/dbraw/zinc/17/41/76/1422174176.db2.gz NNGMDUJGRWGXEJ-UHFFFAOYSA-N 0 1 388.374 3.102 20 0 GGADMN CC(C)c1ccc([C@@H](C)CC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000152636047 1422181248 /nfs/dbraw/zinc/18/12/48/1422181248.db2.gz BABWAXKGXILJRH-GHTZIAJQSA-N 0 1 385.552 3.069 20 0 GGADMN COC(=O)c1cc(CN(C)C[C@@H](O)c2ccccc2Br)oc1C ZINC000152686501 1422208977 /nfs/dbraw/zinc/20/89/77/1422208977.db2.gz CFYWKIDFQCHPHE-MRXNPFEDSA-N 0 1 382.254 3.303 20 0 GGADMN C[C@H](C(=O)NC1CCCC1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000152688333 1422209594 /nfs/dbraw/zinc/20/95/94/1422209594.db2.gz WEDFKSPNBTUZGA-GOSISDBHSA-N 0 1 397.563 3.337 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(N(C)C)n3)cc2)C[C@@H](C)O1 ZINC000152698288 1422214230 /nfs/dbraw/zinc/21/42/30/1422214230.db2.gz YRQNDCVIFXDYQU-IAGOWNOFSA-N 0 1 397.523 3.079 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000152700414 1422214965 /nfs/dbraw/zinc/21/49/65/1422214965.db2.gz CNRRJZXEZCWWQG-GOSISDBHSA-N 0 1 392.394 3.387 20 0 GGADMN Cc1cccn2c(=O)cc(CN[C@H](c3ccc4c(c3)OCCO4)C3CC3)nc12 ZINC000179752718 1429538823 /nfs/dbraw/zinc/53/88/23/1429538823.db2.gz YQISPPKHXCBXLC-NRFANRHFSA-N 0 1 377.444 3.015 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000179752312 1429539175 /nfs/dbraw/zinc/53/91/75/1429539175.db2.gz GIBQTOQZEAEKEA-UHFFFAOYSA-N 0 1 394.515 3.261 20 0 GGADMN CCCC[C@@H](COC)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152716232 1422221880 /nfs/dbraw/zinc/22/18/80/1422221880.db2.gz VOJTWHWMHBEONN-WMZOPIPTSA-N 0 1 394.535 3.143 20 0 GGADMN CSCC[C@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152715591 1422222406 /nfs/dbraw/zinc/22/24/06/1422222406.db2.gz IIQOZDNJCBMEIP-LSDHHAIUSA-N 0 1 382.549 3.079 20 0 GGADMN Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)n1 ZINC000152721192 1422224642 /nfs/dbraw/zinc/22/46/42/1422224642.db2.gz YVHYTGLKAWCPEF-DOTOQJQBSA-N 0 1 399.564 3.130 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)n1 ZINC000152721192 1422224665 /nfs/dbraw/zinc/22/46/65/1422224665.db2.gz YVHYTGLKAWCPEF-DOTOQJQBSA-N 0 1 399.564 3.130 20 0 GGADMN Cn1cc(N2CCC[C@H](N3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)cn1 ZINC000152734085 1422229341 /nfs/dbraw/zinc/22/93/41/1422229341.db2.gz GLAPHOAFBXFZOW-YJBOKZPZSA-N 0 1 399.564 3.130 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000152737005 1422231026 /nfs/dbraw/zinc/23/10/26/1422231026.db2.gz SVBIYMYFERCJFB-JTSKRJEESA-N 0 1 392.503 3.077 20 0 GGADMN CCN(CC)CCN(Cc1cccs1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000152755170 1422237402 /nfs/dbraw/zinc/23/74/02/1422237402.db2.gz VDNCRTNDXJZKDX-UHFFFAOYSA-N 0 1 394.562 3.136 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179755296 1429541075 /nfs/dbraw/zinc/54/10/75/1429541075.db2.gz AAMNLSXDNFCXET-CZUORRHYSA-N 0 1 382.464 3.323 20 0 GGADMN COc1ccccc1COC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000179755499 1429541283 /nfs/dbraw/zinc/54/12/83/1429541283.db2.gz OSCYWXFKCQCBJM-UHFFFAOYSA-N 0 1 393.487 3.086 20 0 GGADMN CCOc1ccc(C(=O)NCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000152784548 1422247103 /nfs/dbraw/zinc/24/71/03/1422247103.db2.gz ODQZOVRTLASRTN-UHFFFAOYSA-N 0 1 388.374 3.268 20 0 GGADMN Cc1nn(CC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(C)c1Cl ZINC000152793849 1422250410 /nfs/dbraw/zinc/25/04/10/1422250410.db2.gz ONXAUXLESHZLLJ-HNNXBMFYSA-N 0 1 384.871 3.302 20 0 GGADMN Cc1nn(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(C)c1Cl ZINC000152793849 1422250421 /nfs/dbraw/zinc/25/04/21/1422250421.db2.gz ONXAUXLESHZLLJ-HNNXBMFYSA-N 0 1 384.871 3.302 20 0 GGADMN Cc1nn(CC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(C)c1Cl ZINC000152793748 1422250580 /nfs/dbraw/zinc/25/05/80/1422250580.db2.gz ONXAUXLESHZLLJ-OAHLLOKOSA-N 0 1 384.871 3.302 20 0 GGADMN Cc1nn(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(C)c1Cl ZINC000152793748 1422250593 /nfs/dbraw/zinc/25/05/93/1422250593.db2.gz ONXAUXLESHZLLJ-OAHLLOKOSA-N 0 1 384.871 3.302 20 0 GGADMN O=C(CN1CCc2c(F)cccc2C1)Nc1cccc(CN2CCSCC2)c1 ZINC000152792977 1422250731 /nfs/dbraw/zinc/25/07/31/1422250731.db2.gz CLVCTULQOJLDMD-UHFFFAOYSA-N 0 1 399.535 3.371 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000152799964 1422252454 /nfs/dbraw/zinc/25/24/54/1422252454.db2.gz NTPAGVPJNLKTKN-VYDXJSESSA-N 0 1 387.505 3.254 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)nc2C)ccc1C ZINC000179756320 1429542173 /nfs/dbraw/zinc/54/21/73/1429542173.db2.gz AHNYEBLWHCHJLH-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000152802128 1422253643 /nfs/dbraw/zinc/25/36/43/1422253643.db2.gz DCECJRZUTNYYPQ-QUCCMNQESA-N 0 1 389.540 3.082 20 0 GGADMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Br)nc2C)c1 ZINC000179756494 1429542263 /nfs/dbraw/zinc/54/22/63/1429542263.db2.gz MQRRDFLYKGMFFR-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000152811049 1422257524 /nfs/dbraw/zinc/25/75/24/1422257524.db2.gz PBGNZRUOERNUFT-ZWKOTPCHSA-N 0 1 395.507 3.174 20 0 GGADMN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000152811049 1422257529 /nfs/dbraw/zinc/25/75/29/1422257529.db2.gz PBGNZRUOERNUFT-ZWKOTPCHSA-N 0 1 395.507 3.174 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)nn1-c1cccc(Cl)c1 ZINC000179757166 1429542804 /nfs/dbraw/zinc/54/28/04/1429542804.db2.gz KHYXMPPKQZOTCV-IYBDPMFKSA-N 0 1 390.915 3.063 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)o1 ZINC000152824477 1422262283 /nfs/dbraw/zinc/26/22/83/1422262283.db2.gz QCZRQITUADCARB-CQSZACIVSA-N 0 1 376.478 3.331 20 0 GGADMN Cc1nc(Br)ccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000179756659 1429543050 /nfs/dbraw/zinc/54/30/50/1429543050.db2.gz PKWRARUHLGQEBZ-UHFFFAOYSA-N 0 1 381.173 3.371 20 0 GGADMN COc1ccc(CCCCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000152838694 1422266847 /nfs/dbraw/zinc/26/68/47/1422266847.db2.gz IWKGIBUFZLHEIC-UHFFFAOYSA-N 0 1 383.492 3.207 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)COc1ccccc1C(C)(C)C ZINC000152839185 1422267118 /nfs/dbraw/zinc/26/71/18/1422267118.db2.gz USSJEMLYOFHPKO-UHFFFAOYSA-N 0 1 383.492 3.162 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000152842543 1422268044 /nfs/dbraw/zinc/26/80/44/1422268044.db2.gz KTIABEAQTBICNG-UHFFFAOYSA-N 0 1 384.867 3.163 20 0 GGADMN Cc1cc(O[C@H](C)C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)ccc1Cl ZINC000152847585 1422269770 /nfs/dbraw/zinc/26/97/70/1422269770.db2.gz GQWMNMXFURVLDU-CYBMUJFWSA-N 0 1 389.883 3.215 20 0 GGADMN Cc1cccc(OCCCCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000152865787 1422275855 /nfs/dbraw/zinc/27/58/55/1422275855.db2.gz GWFQMYYEAPONAK-UHFFFAOYSA-N 0 1 383.492 3.343 20 0 GGADMN CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000152865159 1422275902 /nfs/dbraw/zinc/27/59/02/1422275902.db2.gz MVEHCFIUGYSBCG-OAHLLOKOSA-N 0 1 383.492 3.377 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)C(=O)OC(C)(C)C ZINC000152875239 1422278869 /nfs/dbraw/zinc/27/88/69/1422278869.db2.gz PWNHMKGREFDALB-SFHVURJKSA-N 0 1 392.565 3.332 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000152875851 1422280045 /nfs/dbraw/zinc/28/00/45/1422280045.db2.gz CZBYKBMAFIORAE-SJLPKXTDSA-N 0 1 381.476 3.113 20 0 GGADMN CC(C)(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)c1ccccc1 ZINC000179760569 1429544725 /nfs/dbraw/zinc/54/47/25/1429544725.db2.gz NCOJOIIOTBLIBJ-UHFFFAOYSA-N 0 1 377.532 3.171 20 0 GGADMN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000152898492 1422287989 /nfs/dbraw/zinc/28/79/89/1422287989.db2.gz POVBDEJHZIQXAY-UHFFFAOYSA-N 0 1 382.367 3.395 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000152901791 1422290182 /nfs/dbraw/zinc/29/01/82/1422290182.db2.gz HEVOJGJMZVOTFL-AWEZNQCLSA-N 0 1 382.443 3.408 20 0 GGADMN COc1ccccc1COC1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000179759973 1429545203 /nfs/dbraw/zinc/54/52/03/1429545203.db2.gz HWIOGVHBOMUQMY-SFHVURJKSA-N 0 1 382.504 3.381 20 0 GGADMN O=C(Nc1ccccc1CN1CCSCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000152915937 1422295242 /nfs/dbraw/zinc/29/52/42/1422295242.db2.gz NQQZDCAUIICMAM-UHFFFAOYSA-N 0 1 397.544 3.445 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)ccc2Cl)N(C)C)c1 ZINC000152931117 1422300005 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GGADMN CC[C@H](CSc1ccccc1)NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000152955341 1422307364 /nfs/dbraw/zinc/30/73/64/1422307364.db2.gz JTVIOPFJHSSNHB-QGZVFWFLSA-N 0 1 377.554 3.064 20 0 GGADMN CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000152958528 1422307808 /nfs/dbraw/zinc/30/78/08/1422307808.db2.gz YEBKZRYKHWPBBR-HXUWFJFHSA-N 0 1 394.581 3.139 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c1C ZINC000152958046 1422307930 /nfs/dbraw/zinc/30/79/30/1422307930.db2.gz ZNSLSNADHBCFDN-HXUWFJFHSA-N 0 1 394.581 3.193 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2C[C@@H](C)O)c1 ZINC000152971712 1422312034 /nfs/dbraw/zinc/31/20/34/1422312034.db2.gz FDPKQBLONAKMGU-MJGOQNOKSA-N 0 1 395.503 3.421 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(F)cc3C(F)(F)F)cc12 ZINC000152977984 1422314894 /nfs/dbraw/zinc/31/48/94/1422314894.db2.gz LXHWXVBZWSIZMM-UHFFFAOYSA-N 0 1 388.346 3.235 20 0 GGADMN O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c1OCO2 ZINC000152987758 1422317967 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20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)N2CCCC2)o1 ZINC000153054844 1422341332 /nfs/dbraw/zinc/34/13/32/1422341332.db2.gz PJKUTOPQXATJND-BHIYHBOVSA-N 0 1 385.512 3.214 20 0 GGADMN CC(C)c1ccc([C@@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)cc1 ZINC000153067051 1422345843 /nfs/dbraw/zinc/34/58/43/1422345843.db2.gz GJLLWPRADLURAJ-KRWDZBQOSA-N 0 1 378.480 3.276 20 0 GGADMN CCc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)cc1 ZINC000153072832 1422347195 /nfs/dbraw/zinc/34/71/95/1422347195.db2.gz FDRGTBZBUMGYIV-UHFFFAOYSA-N 0 1 379.504 3.208 20 0 GGADMN CN(CCc1ccccn1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000153083811 1422350947 /nfs/dbraw/zinc/35/09/47/1422350947.db2.gz HXWBVIQVEAFSIT-GOSISDBHSA-N 0 1 375.419 3.353 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cc(F)c2)N2CCCC2)cc1 ZINC000153085505 1422351092 /nfs/dbraw/zinc/35/10/92/1422351092.db2.gz MFBPOHUTKVBQES-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN Cc1cccc([C@@H](NC(=O)N2CCN(C3CCOCC3)CC2)C(F)(F)F)c1 ZINC000153088283 1422352415 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GGADMN C[C@H]1Cc2ccccc2CN1C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179774923 1429554514 /nfs/dbraw/zinc/55/45/14/1429554514.db2.gz RWJNXBCMNRVYDC-NSHDSACASA-N 0 1 384.386 3.412 20 0 GGADMN Cc1ccsc1-c1nnc(NC(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)o1 ZINC000153135104 1422368127 /nfs/dbraw/zinc/36/81/27/1422368127.db2.gz PZIDCZMWDDCWMC-ZDUSSCGKSA-N 0 1 378.498 3.061 20 0 GGADMN Cc1ccsc1-c1nnc(NC(=O)CN(C[C@H](C)O)C2CCCCC2)o1 ZINC000153135104 1422368137 /nfs/dbraw/zinc/36/81/37/1422368137.db2.gz PZIDCZMWDDCWMC-ZDUSSCGKSA-N 0 1 378.498 3.061 20 0 GGADMN C[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775037 1429554578 /nfs/dbraw/zinc/55/45/78/1429554578.db2.gz FECHSOYRDYUDFD-CYBMUJFWSA-N 0 1 387.430 3.280 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCOC[C@@H]2C2CC2)N2CCCCC2)cc1 ZINC000153158040 1422375703 /nfs/dbraw/zinc/37/57/03/1422375703.db2.gz WGQBHPKJWUAFMD-LEWJYISDSA-N 0 1 387.524 3.043 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000153162912 1422378416 /nfs/dbraw/zinc/37/84/16/1422378416.db2.gz QRIAEOVGQMQEIH-KDOFPFPSSA-N 0 1 387.430 3.199 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C(F)F)c1 ZINC000153163024 1422378525 /nfs/dbraw/zinc/37/85/25/1422378525.db2.gz QRIAEOVGQMQEIH-KSSFIOAISA-N 0 1 387.430 3.199 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(Cl)c1 ZINC000153167882 1422379680 /nfs/dbraw/zinc/37/96/80/1422379680.db2.gz CIUYPFQXEFDDEL-XPGWFJOJSA-N 0 1 387.911 3.336 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000153169194 1422379734 /nfs/dbraw/zinc/37/97/34/1422379734.db2.gz VPWUFEGAPQHOBR-XPGWFJOJSA-N 0 1 387.911 3.336 20 0 GGADMN C[C@@H](NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000153169390 1422379812 /nfs/dbraw/zinc/37/98/12/1422379812.db2.gz VPWUFEGAPQHOBR-YSGRDPCXSA-N 0 1 387.911 3.336 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000153169082 1422380259 /nfs/dbraw/zinc/38/02/59/1422380259.db2.gz VPWUFEGAPQHOBR-YSSFQJQWSA-N 0 1 387.911 3.336 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000153172641 1422380889 /nfs/dbraw/zinc/38/08/89/1422380889.db2.gz GPYWEDUXRFMCCM-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776653 1429555723 /nfs/dbraw/zinc/55/57/23/1429555723.db2.gz NVQGQUCRBZZGMT-INIZCTEOSA-N 0 1 395.503 3.053 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000153178136 1422382793 /nfs/dbraw/zinc/38/27/93/1422382793.db2.gz PQKTUSZAAJUYGM-RBUKOAKNSA-N 0 1 378.432 3.406 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000153178254 1422382893 /nfs/dbraw/zinc/38/28/93/1422382893.db2.gz PQKTUSZAAJUYGM-OALUTQOASA-N 0 1 378.432 3.406 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000153178354 1422382981 /nfs/dbraw/zinc/38/29/81/1422382981.db2.gz PQKTUSZAAJUYGM-RTBURBONSA-N 0 1 378.432 3.406 20 0 GGADMN CCn1c(SCC(=O)Nc2ccc3[nH]nnc3c2)nnc1-c1cccs1 ZINC000153177406 1422383073 /nfs/dbraw/zinc/38/30/73/1422383073.db2.gz DJYYPQISMGOBSQ-UHFFFAOYSA-N 0 1 385.478 3.029 20 0 GGADMN COc1ccc(OC)c(-c2csc(NC(=O)CN3C[C@H]4CCC[C@@H]4C3)n2)c1 ZINC000153180962 1422383478 /nfs/dbraw/zinc/38/34/78/1422383478.db2.gz LEDNJGXYXGXGON-ZIAGYGMSSA-N 0 1 387.505 3.498 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1F ZINC000153180993 1422383797 /nfs/dbraw/zinc/38/37/97/1422383797.db2.gz HWLVCTOOGCECLG-GUYCJALGSA-N 0 1 389.858 3.054 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776891 1429555919 /nfs/dbraw/zinc/55/59/19/1429555919.db2.gz KTFVSOLDGZYCQE-INIZCTEOSA-N 0 1 395.503 3.353 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000153184594 1422384799 /nfs/dbraw/zinc/38/47/99/1422384799.db2.gz VFMWHVZWOFXHOG-KXBFYZLASA-N 0 1 385.895 3.224 20 0 GGADMN Cc1cccc(OCCNC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179776923 1429555993 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387.483 3.415 20 0 GGADMN C[C@H](NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000153202368 1422391806 /nfs/dbraw/zinc/39/18/06/1422391806.db2.gz JCUHQOWMHIHCNC-DBVUQKKJSA-N 0 1 393.487 3.428 20 0 GGADMN CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000153203723 1422391979 /nfs/dbraw/zinc/39/19/79/1422391979.db2.gz YCCIZEIIKUBNMM-HXUWFJFHSA-N 0 1 387.572 3.334 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179768876 1429551178 /nfs/dbraw/zinc/55/11/78/1429551178.db2.gz YXGDTJIHGBMMTO-MRXNPFEDSA-N 0 1 395.503 3.149 20 0 GGADMN O=C(CN(Cc1ccccc1)CC1CCOCC1)Nc1nnc(-c2ccco2)o1 ZINC000153208028 1422393799 /nfs/dbraw/zinc/39/37/99/1422393799.db2.gz DNWSATABEZDGCC-UHFFFAOYSA-N 0 1 396.447 3.197 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000153209289 1422394164 /nfs/dbraw/zinc/39/41/64/1422394164.db2.gz ASLVKZUKHRCRIF-KXBFYZLASA-N 0 1 385.895 3.224 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000153209986 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C[C@@H](O)C[C@H]1CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000153267431 1422429070 /nfs/dbraw/zinc/42/90/70/1422429070.db2.gz RTSLLTMMYBQRLG-INMHGKMJSA-N 0 1 387.505 3.254 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000153265988 1422429170 /nfs/dbraw/zinc/42/91/70/1422429170.db2.gz ORRGOYAWJAGZSA-UHFFFAOYSA-N 0 1 389.337 3.356 20 0 GGADMN C[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179779159 1429557706 /nfs/dbraw/zinc/55/77/06/1429557706.db2.gz OYACCXATRAKZEI-CQSZACIVSA-N 0 1 383.517 3.332 20 0 GGADMN CC[C@H]1CCCC[C@H]1N(C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000153289273 1422443863 /nfs/dbraw/zinc/44/38/63/1422443863.db2.gz DDBJWTIPWQZBEE-RBUKOAKNSA-N 0 1 394.604 3.223 20 0 GGADMN CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000153289059 1422444884 /nfs/dbraw/zinc/44/48/84/1422444884.db2.gz DDBJWTIPWQZBEE-OALUTQOASA-N 0 1 394.604 3.223 20 0 GGADMN Cc1cc([C@H](C)NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000153293083 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3.370 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000153332992 1422475713 /nfs/dbraw/zinc/47/57/13/1422475713.db2.gz WRQOPEMAJJRETE-QHCPKHFHSA-N 0 1 393.531 3.194 20 0 GGADMN CC(=O)OC1CCN(CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000153335265 1422476886 /nfs/dbraw/zinc/47/68/86/1422476886.db2.gz NEYORUGTLLZDQG-HSZRJFAPSA-N 0 1 398.478 3.401 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000153338440 1422479485 /nfs/dbraw/zinc/47/94/85/1422479485.db2.gz SJRORKKFNZBWHA-KRWDZBQOSA-N 0 1 385.836 3.179 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccco1 ZINC000823674527 1429561039 /nfs/dbraw/zinc/56/10/39/1429561039.db2.gz RCUULUXELUQBBL-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000823674527 1429561041 /nfs/dbraw/zinc/56/10/41/1429561041.db2.gz RCUULUXELUQBBL-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000823674527 1429561046 /nfs/dbraw/zinc/56/10/46/1429561046.db2.gz RCUULUXELUQBBL-AEFFLSMTSA-N 0 1 385.443 3.467 20 0 GGADMN CN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)ccc21 ZINC000179783637 1429561154 /nfs/dbraw/zinc/56/11/54/1429561154.db2.gz WVEPOPWJIFRXSG-OAHLLOKOSA-N 0 1 394.479 3.003 20 0 GGADMN COc1cc(CN2CC[C@@H]([NH2+]Cc3c([O-])cccc3Cl)C2)cc(OC)c1 ZINC000153358575 1422490820 /nfs/dbraw/zinc/49/08/20/1422490820.db2.gz UXLFGRWXRKLFNU-OAHLLOKOSA-N 0 1 376.884 3.427 20 0 GGADMN CN1C(=O)CCc2cc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)ccc21 ZINC000179783625 1429561590 /nfs/dbraw/zinc/56/15/90/1429561590.db2.gz WVEPOPWJIFRXSG-HNNXBMFYSA-N 0 1 394.479 3.003 20 0 GGADMN CC[C@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(OC)cc1 ZINC000153360085 1422491727 /nfs/dbraw/zinc/49/17/27/1422491727.db2.gz PSFJHHHEOSFQIM-OAHLLOKOSA-N 0 1 383.492 3.378 20 0 GGADMN CC1=C(C(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CCCO1 ZINC000153366975 1422498176 /nfs/dbraw/zinc/49/81/76/1422498176.db2.gz FYWDITVBMCNJGL-UHFFFAOYSA-N 0 1 397.441 3.158 20 0 GGADMN CC(=O)OC1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000153375280 1422503200 /nfs/dbraw/zinc/50/32/00/1422503200.db2.gz SSXDKENGOAREGV-UHFFFAOYSA-N 0 1 398.425 3.224 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000153383136 1422506656 /nfs/dbraw/zinc/50/66/56/1422506656.db2.gz VITWCFGUUCEWRC-UHFFFAOYSA-N 0 1 378.413 3.428 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000153382752 1422507017 /nfs/dbraw/zinc/50/70/17/1422507017.db2.gz HBBFGUCPIJKSGE-UHFFFAOYSA-N 0 1 392.440 3.287 20 0 GGADMN C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc2c(c1)OCCO2 ZINC000153402481 1422516824 /nfs/dbraw/zinc/51/68/24/1422516824.db2.gz SUIDVZXEFWQNDU-QRWLVFNGSA-N 0 1 382.460 3.426 20 0 GGADMN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cccc(-c3nnc[nH]3)c2)o1 ZINC000153404696 1422517947 /nfs/dbraw/zinc/51/79/47/1422517947.db2.gz DWEQDNGNUXKSQD-GOSISDBHSA-N 0 1 386.415 3.103 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)n[nH]2)c1 ZINC000153417653 1422524395 /nfs/dbraw/zinc/52/43/95/1422524395.db2.gz BDCGBLJQBRPAAP-UHFFFAOYSA-N 0 1 393.443 3.301 20 0 GGADMN CC(=O)OC1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000153419449 1422524968 /nfs/dbraw/zinc/52/49/68/1422524968.db2.gz KGRCDKQYJIKENN-KRWDZBQOSA-N 0 1 380.488 3.308 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C[C@H](C)N1 ZINC000153418934 1422525287 /nfs/dbraw/zinc/52/52/87/1422525287.db2.gz AQALXEKGIZVNTO-OKILXGFUSA-N 0 1 389.546 3.301 20 0 GGADMN C[C@H](Nc1ccccc1N1CCN(CCc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000179789054 1429565013 /nfs/dbraw/zinc/56/50/13/1429565013.db2.gz GATBSXCOZDCXNT-PZJWPPBQSA-N 0 1 380.536 3.283 20 0 GGADMN C[C@@H](Nc1ccccc1N1CCN(CCc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000179789071 1429565115 /nfs/dbraw/zinc/56/51/15/1429565115.db2.gz GATBSXCOZDCXNT-TZIWHRDSSA-N 0 1 380.536 3.283 20 0 GGADMN CSCc1noc(CCC(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1 ZINC000153436468 1422535389 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388.439 3.044 20 0 GGADMN Fc1cccc(F)c1-c1nc(CN2CCC[C@H](CN3CCOCC3)C2)co1 ZINC000153519277 1422582628 /nfs/dbraw/zinc/58/26/28/1422582628.db2.gz CNUDSWWAGBQPDG-OAHLLOKOSA-N 0 1 377.435 3.164 20 0 GGADMN COc1ccccc1[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153525217 1422585463 /nfs/dbraw/zinc/58/54/63/1422585463.db2.gz GNQSXEWPKOTHKR-INIZCTEOSA-N 0 1 379.420 3.309 20 0 GGADMN C[C@H](O)C1CCN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000153533941 1422590829 /nfs/dbraw/zinc/59/08/29/1422590829.db2.gz CVRXDOWXNWWYDS-URKNILKWSA-N 0 1 397.922 3.274 20 0 GGADMN FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000822723679 1429570364 /nfs/dbraw/zinc/57/03/64/1429570364.db2.gz KMBSIFIVLQIJHV-UHFFFAOYSA-N 0 1 389.385 3.493 20 0 GGADMN O=C(NCCCCN1CCOCC1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000153540403 1422597928 /nfs/dbraw/zinc/59/79/28/1422597928.db2.gz AHTFMKGLLWMYHE-KRWDZBQOSA-N 0 1 395.931 3.005 20 0 GGADMN CC(C)[C@H](O)CCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153546616 1422602863 /nfs/dbraw/zinc/60/28/63/1422602863.db2.gz SNFKUCSTIMLXSF-ZTFGCOKTSA-N 0 1 385.911 3.178 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2CO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153555287 1422610971 /nfs/dbraw/zinc/61/09/71/1422610971.db2.gz NCYBPPHVJLXGFL-RGCFKVTRSA-N 0 1 397.922 3.322 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ncc(-c2ccccc2)o1 ZINC000153559728 1422614850 /nfs/dbraw/zinc/61/48/50/1422614850.db2.gz YMYVCGPXCSOJAR-ZACQAIPSSA-N 0 1 386.496 3.201 20 0 GGADMN CC[C@@H]1COCCN1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153561841 1422618362 /nfs/dbraw/zinc/61/83/62/1422618362.db2.gz GQASVTKAJIJXFT-HDMKZQKVSA-N 0 1 383.895 3.292 20 0 GGADMN CN1CC[C@@H](CNC(=O)N[C@H]2CC[C@H](CO)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153565088 1422619719 /nfs/dbraw/zinc/61/97/19/1422619719.db2.gz KHAPZDYBKLKGIG-AMVTXUCVSA-N 0 1 397.922 3.322 20 0 GGADMN C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000153568802 1422622575 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1 399.457 3.130 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)c1 ZINC000153616890 1422651993 /nfs/dbraw/zinc/65/19/93/1422651993.db2.gz NLJIKCXBTDCGOI-UHFFFAOYSA-N 0 1 383.345 3.211 20 0 GGADMN CC[C@H](NC[C@@H](O)COc1ccc(NC(C)=O)cc1)c1cc(F)ccc1F ZINC000179802278 1429575761 /nfs/dbraw/zinc/57/57/61/1429575761.db2.gz DUWBZGIWYSNBBL-UZLBHIALSA-N 0 1 378.419 3.404 20 0 GGADMN COC(=O)c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)o1 ZINC000153632697 1422661520 /nfs/dbraw/zinc/66/15/20/1422661520.db2.gz JJRGJBDSFCCYFN-AWEZNQCLSA-N 0 1 380.326 3.082 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000179802921 1429576551 /nfs/dbraw/zinc/57/65/51/1429576551.db2.gz FVWLNSFNRPBBNR-UHFFFAOYSA-N 0 1 390.312 3.240 20 0 GGADMN COC(=O)Cc1ccccc1CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000153655194 1422681324 /nfs/dbraw/zinc/68/13/24/1422681324.db2.gz RLLGUDIKXLDIDO-UHFFFAOYSA-N 0 1 382.460 3.109 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2CCC(C)(c3ccccc3)CC2)c1 ZINC000153656651 1422683159 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CCCc1nc(C(=O)N(C)[C@H]2CCCN(C)C2)nn1-c1ccccc1Cl ZINC000153691046 1422705741 /nfs/dbraw/zinc/70/57/41/1422705741.db2.gz WXHMBROUKSHECA-AWEZNQCLSA-N 0 1 375.904 3.039 20 0 GGADMN O=C(NCCc1cc2ccccc2o1)NC1CCN(Cc2ccccn2)CC1 ZINC000153692936 1422705919 /nfs/dbraw/zinc/70/59/19/1422705919.db2.gz APTUNOHQSTUGBQ-UHFFFAOYSA-N 0 1 378.476 3.334 20 0 GGADMN Cc1ccc(Cc2nc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)cs2)cc1 ZINC000153710216 1422714159 /nfs/dbraw/zinc/71/41/59/1422714159.db2.gz RYRZKAFCJPWXFV-UHFFFAOYSA-N 0 1 376.445 3.475 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C[C@H](C)N1 ZINC000153721468 1422721462 /nfs/dbraw/zinc/72/14/62/1422721462.db2.gz RMZNYLCXGIQETD-KBPBESRZSA-N 0 1 380.423 3.365 20 0 GGADMN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1F)NC(=O)NCC(F)(F)F ZINC000179807526 1429580870 /nfs/dbraw/zinc/58/08/70/1429580870.db2.gz KAALQMCLOAUBIV-INIZCTEOSA-N 0 1 397.372 3.087 20 0 GGADMN COc1cc(CCC(=O)N2CCN(C(C)C)CC2)ccc1OCC(F)(F)F ZINC000153747986 1422736870 /nfs/dbraw/zinc/73/68/70/1422736870.db2.gz REKGHONVCOEEFX-UHFFFAOYSA-N 0 1 388.430 3.122 20 0 GGADMN CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nc2ccccc2o1 ZINC000153752608 1422738340 /nfs/dbraw/zinc/73/83/40/1422738340.db2.gz DLKGIFFXFMQCOD-UHFFFAOYSA-N 0 1 392.459 3.415 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCOC[C@@H]1C1CC1 ZINC000153757952 1422740492 /nfs/dbraw/zinc/74/04/92/1422740492.db2.gz QXUZZRUCGWYJIS-ZWKOTPCHSA-N 0 1 397.441 3.100 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCOC[C@@H]1C1CC1 ZINC000153758048 1422740894 /nfs/dbraw/zinc/74/08/94/1422740894.db2.gz QXUZZRUCGWYJIS-QZTJIDSGSA-N 0 1 397.441 3.100 20 0 GGADMN O=C(CN[C@H](Cc1ccccc1)c1ccccc1F)N1CCC2(CC1)OCCO2 ZINC000179810913 1429584707 /nfs/dbraw/zinc/58/47/07/1429584707.db2.gz ZZYGYHCMVVEHDU-OAQYLSRUSA-N 0 1 398.478 3.065 20 0 GGADMN COC(=O)[C@@H](C)CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000153767777 1422745589 /nfs/dbraw/zinc/74/55/89/1422745589.db2.gz MYIPKJAULRPUSS-KRWDZBQOSA-N 0 1 387.524 3.279 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000153776064 1422750479 /nfs/dbraw/zinc/75/04/79/1422750479.db2.gz FVLPQOHVJKXPGS-HXUWFJFHSA-N 0 1 383.467 3.490 20 0 GGADMN CO[C@@H](C)c1noc(CCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000153777653 1422751508 /nfs/dbraw/zinc/75/15/08/1422751508.db2.gz AHHUXCVQRDFPJM-QMMMGPOBSA-N 0 1 383.330 3.243 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000153784635 1422755949 /nfs/dbraw/zinc/75/59/49/1422755949.db2.gz JGPQORDOYLEGAN-RXVVDRJESA-N 0 1 377.529 3.073 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000153784939 1422756163 /nfs/dbraw/zinc/75/61/63/1422756163.db2.gz JGPQORDOYLEGAN-WIYYLYMNSA-N 0 1 377.529 3.073 20 0 GGADMN CC(C)c1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000153792934 1422761160 /nfs/dbraw/zinc/76/11/60/1422761160.db2.gz HDTXMCNVCIYXLA-BETUJISGSA-N 0 1 395.429 3.232 20 0 GGADMN C[C@@H]1CN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)C[C@H](C)N1 ZINC000153802695 1422765392 /nfs/dbraw/zinc/76/53/92/1422765392.db2.gz HSXFAMYKILDDQC-OKILXGFUSA-N 0 1 398.532 3.097 20 0 GGADMN NC(=O)N[C@@H](CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccs1 ZINC000153807201 1422769004 /nfs/dbraw/zinc/76/90/04/1422769004.db2.gz CXHRYTNZBNVUCH-NSHDSACASA-N 0 1 397.382 3.381 20 0 GGADMN Cc1c([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1 ZINC000822020713 1429584960 /nfs/dbraw/zinc/58/49/60/1429584960.db2.gz HJFXTFHLBIOSAF-ZDUSSCGKSA-N 0 1 377.427 3.351 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NO[C@H]2CCCCO2)CC1 ZINC000153812302 1422773480 /nfs/dbraw/zinc/77/34/80/1422773480.db2.gz ISRGIOKEBRYSSU-KRWDZBQOSA-N 0 1 382.892 3.062 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1C(=O)N(C)C ZINC000179812567 1429585727 /nfs/dbraw/zinc/58/57/27/1429585727.db2.gz DNWNVGVQSPKEMW-HNNXBMFYSA-N 0 1 396.495 3.104 20 0 GGADMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c1 ZINC000153827923 1422783705 /nfs/dbraw/zinc/78/37/05/1422783705.db2.gz CPFGZVZCNWDVHX-UHFFFAOYSA-N 0 1 394.468 3.255 20 0 GGADMN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000153861237 1422800526 /nfs/dbraw/zinc/80/05/26/1422800526.db2.gz JDFSVQBFIAAPDI-UHFFFAOYSA-N 0 1 393.226 3.067 20 0 GGADMN Cc1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000153859234 1422800630 /nfs/dbraw/zinc/80/06/30/1422800630.db2.gz VHUGVDVMFRDYIJ-IYBDPMFKSA-N 0 1 375.476 3.065 20 0 GGADMN CN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)[C@H]1CCCN(C)C1 ZINC000153872896 1422803036 /nfs/dbraw/zinc/80/30/36/1422803036.db2.gz YOWUKOJEAPFQDZ-INIZCTEOSA-N 0 1 399.495 3.301 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@H](C)CSC)CC2)c1C ZINC000153874351 1422803162 /nfs/dbraw/zinc/80/31/62/1422803162.db2.gz OFSAIVSANGZVJL-OAHLLOKOSA-N 0 1 394.585 3.064 20 0 GGADMN COc1ccccc1[C@@H](C)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000153877628 1422803668 /nfs/dbraw/zinc/80/36/68/1422803668.db2.gz LJECTSYWFYGDAS-MRXNPFEDSA-N 0 1 376.522 3.374 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)CCOc3ccccc3)n2)cc1 ZINC000153890619 1422805907 /nfs/dbraw/zinc/80/59/07/1422805907.db2.gz XYKGFRPQCQVRPU-UHFFFAOYSA-N 0 1 382.489 3.410 20 0 GGADMN CCSCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179814530 1429588097 /nfs/dbraw/zinc/58/80/97/1429588097.db2.gz ZOPSWTCDDIPVKC-SNVBAGLBSA-N 0 1 384.452 3.429 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000153897464 1422807434 /nfs/dbraw/zinc/80/74/34/1422807434.db2.gz OLZHDALPZJDUHU-MRXNPFEDSA-N 0 1 378.542 3.143 20 0 GGADMN C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000153907035 1422808726 /nfs/dbraw/zinc/80/87/26/1422808726.db2.gz RCHOKBILMWRHKB-KXBFYZLASA-N 0 1 377.504 3.020 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153910094 1422808983 /nfs/dbraw/zinc/80/89/83/1422808983.db2.gz SMONNHSGMYEYHZ-WBAXXEDZSA-N 0 1 393.484 3.396 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153910300 1422808993 /nfs/dbraw/zinc/80/89/93/1422808993.db2.gz SMONNHSGMYEYHZ-QGTPRVQTSA-N 0 1 393.484 3.396 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000153914842 1422809943 /nfs/dbraw/zinc/80/99/43/1422809943.db2.gz ASBXFYXAOVEQKV-NRFANRHFSA-N 0 1 379.504 3.375 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000153937085 1422813858 /nfs/dbraw/zinc/81/38/58/1422813858.db2.gz RNVSJXGBBOMCPR-QGZVFWFLSA-N 0 1 377.435 3.351 20 0 GGADMN CN1CCN(Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4CC3)c2)CC1 ZINC000153946742 1422815258 /nfs/dbraw/zinc/81/52/58/1422815258.db2.gz DZUMJKUEKVUMJQ-UHFFFAOYSA-N 0 1 397.544 3.163 20 0 GGADMN C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C[C@@H](C)N1 ZINC000153946598 1422815432 /nfs/dbraw/zinc/81/54/32/1422815432.db2.gz NHRBPYBNZPHKNW-HZPDHXFCSA-N 0 1 391.471 3.436 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc(CN3CCSCC3)c2)cnc1Cl ZINC000153953512 1422816309 /nfs/dbraw/zinc/81/63/09/1422816309.db2.gz BMMCDLFNNAEDTB-UHFFFAOYSA-N 0 1 397.953 3.393 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000153968879 1422818980 /nfs/dbraw/zinc/81/89/80/1422818980.db2.gz LKQAGGDLAODFDH-SOAGJPPSSA-N 0 1 377.573 3.040 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000153968879 1422818983 /nfs/dbraw/zinc/81/89/83/1422818983.db2.gz LKQAGGDLAODFDH-SOAGJPPSSA-N 0 1 377.573 3.040 20 0 GGADMN O=C(CN1CCC[C@H]1c1ccncc1)Nc1cccc(CN2CCSCC2)c1 ZINC000153974675 1422819629 /nfs/dbraw/zinc/81/96/29/1422819629.db2.gz UBXXBYFGEAEJCP-NRFANRHFSA-N 0 1 396.560 3.406 20 0 GGADMN Cc1ccc(OCCNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000153979727 1422820302 /nfs/dbraw/zinc/82/03/02/1422820302.db2.gz QTKIBPZFDMBLSJ-UHFFFAOYSA-N 0 1 382.489 3.376 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2[nH]cnc21 ZINC000153982654 1422820752 /nfs/dbraw/zinc/82/07/52/1422820752.db2.gz BFGJMTXJARNPEF-HNNXBMFYSA-N 0 1 384.867 3.316 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c2cnn(Cc3cccs3)c2n1 ZINC000153987439 1422821598 /nfs/dbraw/zinc/82/15/98/1422821598.db2.gz URUXRKHJRIMGTQ-LJQANCHMSA-N 0 1 397.548 3.262 20 0 GGADMN CC(C)Cn1ncc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1C1CC1 ZINC000153991546 1422822215 /nfs/dbraw/zinc/82/22/15/1422822215.db2.gz GHHWHHHXFAQTTP-UHFFFAOYSA-N 0 1 381.524 3.206 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000153994584 1422822683 /nfs/dbraw/zinc/82/26/83/1422822683.db2.gz STFBTDQGSAFQAA-UHFFFAOYSA-N 0 1 377.847 3.104 20 0 GGADMN CCC[C@H](C)[C@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000154000943 1422823689 /nfs/dbraw/zinc/82/36/89/1422823689.db2.gz BSFRASLWGBRSDW-PKOBYXMFSA-N 0 1 394.604 3.223 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1F ZINC000154004392 1422823981 /nfs/dbraw/zinc/82/39/81/1422823981.db2.gz JITYSYSZVBBBMV-UHFFFAOYSA-N 0 1 385.483 3.440 20 0 GGADMN CCCCc1ccc(NC(=O)C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000154007704 1422824560 /nfs/dbraw/zinc/82/45/60/1422824560.db2.gz SKPWURCIBGTAOF-UHFFFAOYSA-N 0 1 385.483 3.485 20 0 GGADMN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc2[nH]nnc2c1 ZINC000154009700 1422824833 /nfs/dbraw/zinc/82/48/33/1422824833.db2.gz HEIGFHGWXMYJEJ-UHFFFAOYSA-N 0 1 397.489 3.344 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1F ZINC000154016298 1422826155 /nfs/dbraw/zinc/82/61/55/1422826155.db2.gz NBIGZZCWGZTODF-UHFFFAOYSA-N 0 1 397.372 3.161 20 0 GGADMN CCO[C@H]1C[C@@H](N(C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)C12CCC2 ZINC000154035174 1422829336 /nfs/dbraw/zinc/82/93/36/1422829336.db2.gz SMBMZBVYBGXUEI-RTWAWAEBSA-N 0 1 381.520 3.332 20 0 GGADMN Cc1c(NCC(C)(C)C)cccc1C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000154046031 1422831084 /nfs/dbraw/zinc/83/10/84/1422831084.db2.gz GWFFIIPZCOIAQV-NRFANRHFSA-N 0 1 388.600 3.455 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154052496 1422832124 /nfs/dbraw/zinc/83/21/24/1422832124.db2.gz VCUHANUCMBBQRG-VXGBXAGGSA-N 0 1 381.307 3.369 20 0 GGADMN CCOc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc(OCC)c1OCC ZINC000154061250 1422833618 /nfs/dbraw/zinc/83/36/18/1422833618.db2.gz JZEAEDQPCXKXIT-QGZVFWFLSA-N 0 1 378.513 3.295 20 0 GGADMN O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000154103335 1422840605 /nfs/dbraw/zinc/84/06/05/1422840605.db2.gz FLGWHWHDMNZSQV-UHFFFAOYSA-N 0 1 395.362 3.092 20 0 GGADMN Cc1ccc(C(=O)N[C@H](CC(=O)N2C[C@@H](C)N[C@@H](C)C2)c2ccccc2)cc1 ZINC000154110879 1422841925 /nfs/dbraw/zinc/84/19/25/1422841925.db2.gz NUKHHVVAXCNSJK-LVCYWYKZSA-N 0 1 379.504 3.065 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000154170842 1422849720 /nfs/dbraw/zinc/84/97/20/1422849720.db2.gz LLFUJPKKBFPWSQ-SFHVURJKSA-N 0 1 397.519 3.381 20 0 GGADMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000154169651 1422849769 /nfs/dbraw/zinc/84/97/69/1422849769.db2.gz BHPDJSXJFVLXPM-INIZCTEOSA-N 0 1 384.476 3.009 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc(F)cc1F ZINC000154175429 1422850762 /nfs/dbraw/zinc/85/07/62/1422850762.db2.gz XYESBYLPADBMAL-UHFFFAOYSA-N 0 1 389.446 3.297 20 0 GGADMN Cc1c([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2)cnn1-c1ccc(F)cc1 ZINC000154192211 1422852916 /nfs/dbraw/zinc/85/29/16/1422852916.db2.gz CZOZJXXLGRIFBJ-LHSJRXKWSA-N 0 1 378.451 3.212 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179822937 1429595723 /nfs/dbraw/zinc/59/57/23/1429595723.db2.gz URSAGDXARDTPBJ-ZDUSSCGKSA-N 0 1 384.386 3.488 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000154205454 1422854848 /nfs/dbraw/zinc/85/48/48/1422854848.db2.gz ZFCXBMUNSIXGLG-KBPBESRZSA-N 0 1 378.494 3.024 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(F)c1Cl ZINC000154206990 1422855263 /nfs/dbraw/zinc/85/52/63/1422855263.db2.gz CMZKUUVJZFZZLD-CRAIPNDOSA-N 0 1 376.859 3.092 20 0 GGADMN Cn1c(C(=O)Nc2[nH]nc3c2cccc3Cl)cc(Br)c1C=O ZINC000154210128 1422855373 /nfs/dbraw/zinc/85/53/73/1422855373.db2.gz LYUCFLKGSMIKOG-UHFFFAOYSA-N 0 1 381.617 3.382 20 0 GGADMN CCCOc1cccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000154218956 1422857292 /nfs/dbraw/zinc/85/72/92/1422857292.db2.gz XYMSWWPRNCJWBR-FYYLOGMGSA-N 0 1 396.531 3.017 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@H](O)c1ccccc1Cl)c1ccco1 ZINC000154220721 1422857513 /nfs/dbraw/zinc/85/75/13/1422857513.db2.gz ZYAJGZIQJVSRHX-IRXDYDNUSA-N 0 1 379.888 3.349 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Cl)c1ccco1 ZINC000154221071 1422857577 /nfs/dbraw/zinc/85/75/77/1422857577.db2.gz ZYAJGZIQJVSRHX-IAGOWNOFSA-N 0 1 379.888 3.349 20 0 GGADMN O=C(C[C@@H]1CCc2ccccc21)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154228911 1422858851 /nfs/dbraw/zinc/85/88/51/1422858851.db2.gz BUSBSQGUPWKTOJ-QZNHQXDQSA-N 0 1 378.516 3.106 20 0 GGADMN COc1ccc([C@@H]2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)C2)cc1 ZINC000154234403 1422859791 /nfs/dbraw/zinc/85/97/91/1422859791.db2.gz SYNCGRRVEBEJHF-MRXNPFEDSA-N 0 1 379.464 3.065 20 0 GGADMN O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000154241982 1422860752 /nfs/dbraw/zinc/86/07/52/1422860752.db2.gz UFYLVECKJLSEJR-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN COc1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(OC)c1 ZINC000154255518 1422862307 /nfs/dbraw/zinc/86/23/07/1422862307.db2.gz ROLJHGLTNNEYOB-UZLBHIALSA-N 0 1 398.503 3.463 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000154269675 1422864704 /nfs/dbraw/zinc/86/47/04/1422864704.db2.gz FSWWFNKTWXFYAE-MJBXVCDLSA-N 0 1 399.532 3.102 20 0 GGADMN Cc1cccc2c(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c[nH]c21 ZINC000154273756 1422865304 /nfs/dbraw/zinc/86/53/04/1422865304.db2.gz CASWEYDJMTZLGN-KNQAVFIVSA-N 0 1 391.515 3.018 20 0 GGADMN CC(=O)N[C@H]1CCCN(C(=O)CNC(c2cccc(C)c2)c2cccc(C)c2)C1 ZINC000154286184 1422867254 /nfs/dbraw/zinc/86/72/54/1422867254.db2.gz FXFUYRWSJDRCAQ-QFIPXVFZSA-N 0 1 393.531 3.110 20 0 GGADMN O=S1(=O)NC(CN2C[C@H]3CCCC[C@]32c2ccccc2)=Nc2ccccc21 ZINC000154299663 1422869060 /nfs/dbraw/zinc/86/90/60/1422869060.db2.gz BTCKJKXBRBOFHO-UTKZUKDTSA-N 0 1 381.501 3.410 20 0 GGADMN Cc1nn(C)c2ncc(CN[C@@H](c3ccc(Cl)cc3)[C@H]3CN(C)CCO3)cc12 ZINC000154313074 1422871248 /nfs/dbraw/zinc/87/12/48/1422871248.db2.gz FMNQZMMSRIPOAI-UXHICEINSA-N 0 1 399.926 3.092 20 0 GGADMN Cc1nn(C)c2ncc(CN[C@@H](c3ccc(Cl)cc3)[C@@H]3CN(C)CCO3)cc12 ZINC000154312854 1422871297 /nfs/dbraw/zinc/87/12/97/1422871297.db2.gz FMNQZMMSRIPOAI-PMACEKPBSA-N 0 1 399.926 3.092 20 0 GGADMN Cc1nn(C)c2ncc(CN[C@H](c3ccc(Cl)cc3)[C@@H]3CN(C)CCO3)cc12 ZINC000154312962 1422871385 /nfs/dbraw/zinc/87/13/85/1422871385.db2.gz FMNQZMMSRIPOAI-VQTJNVASSA-N 0 1 399.926 3.092 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)NCC3(Cc4ccccc4)CCC3)CC2)CCO1 ZINC000154335077 1422874848 /nfs/dbraw/zinc/87/48/48/1422874848.db2.gz MSWMCNOWMMADSZ-IBGZPJMESA-N 0 1 385.552 3.294 20 0 GGADMN CN1CCO[C@@H]([C@H](NCc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000154346203 1422875981 /nfs/dbraw/zinc/87/59/81/1422875981.db2.gz NHFVIAQSYBNDCS-NHCUHLMSSA-N 0 1 388.895 3.273 20 0 GGADMN CC(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000154354435 1422877215 /nfs/dbraw/zinc/87/72/15/1422877215.db2.gz UKVKFDRGZWAABZ-SJLPKXTDSA-N 0 1 398.544 3.005 20 0 GGADMN Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)Nc1[nH]nc2c1cccc2Cl ZINC000154374425 1422880481 /nfs/dbraw/zinc/88/04/81/1422880481.db2.gz SFAWHDUVGUHOLM-OQLLNIDSSA-N 0 1 397.801 3.287 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000154382655 1422881585 /nfs/dbraw/zinc/88/15/85/1422881585.db2.gz JPUCGOOJAJJPTP-DLBZAZTESA-N 0 1 399.495 3.285 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000154382762 1422881721 /nfs/dbraw/zinc/88/17/21/1422881721.db2.gz JPUCGOOJAJJPTP-IAGOWNOFSA-N 0 1 399.495 3.285 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000154393923 1422883283 /nfs/dbraw/zinc/88/32/83/1422883283.db2.gz CHGKAGKANVLVKT-UHFFFAOYSA-N 0 1 391.459 3.103 20 0 GGADMN O=C(Nc1ncc(Cc2cccc(F)c2)s1)[C@H]1CCCN1C1CCOCC1 ZINC000154397035 1422883580 /nfs/dbraw/zinc/88/35/80/1422883580.db2.gz RONFCYYVPOWOHL-GOSISDBHSA-N 0 1 389.496 3.455 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)n[nH]2)cc1 ZINC000154410469 1422885536 /nfs/dbraw/zinc/88/55/36/1422885536.db2.gz BPNSPWQAANOVIN-UHFFFAOYSA-N 0 1 392.459 3.413 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)n[nH]2)c1 ZINC000154415843 1422886247 /nfs/dbraw/zinc/88/62/47/1422886247.db2.gz ITKPNHOVFYKESK-UHFFFAOYSA-N 0 1 392.459 3.413 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000154420829 1422886849 /nfs/dbraw/zinc/88/68/49/1422886849.db2.gz FDGQQCAQQALFQM-KRWDZBQOSA-N 0 1 377.847 3.145 20 0 GGADMN C[C@@H](NCc1cccc(O)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000154446714 1422889689 /nfs/dbraw/zinc/88/96/89/1422889689.db2.gz ZFSQKSZPGMUVST-OAHLLOKOSA-N 0 1 386.473 3.315 20 0 GGADMN CCN(Cc1cccc(NC(=O)[C@H](N)c2ccccc2)c1)C(=O)C(F)(F)F ZINC000154462779 1422891804 /nfs/dbraw/zinc/89/18/04/1422891804.db2.gz GNCCCJLTHQVNNR-MRXNPFEDSA-N 0 1 379.382 3.236 20 0 GGADMN O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000154469125 1422892513 /nfs/dbraw/zinc/89/25/13/1422892513.db2.gz KMRRJPZDAKSECG-UHFFFAOYSA-N 0 1 380.423 3.429 20 0 GGADMN CCC(CC)(C[NH3+])NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000154473571 1422893637 /nfs/dbraw/zinc/89/36/37/1422893637.db2.gz ARWMMKFLXZCMRZ-UHFFFAOYSA-N 0 1 389.521 3.043 20 0 GGADMN CCOc1ccc(-c2nc(CNC3(CC(=O)OC)CCOCC3)cs2)cc1 ZINC000154479765 1422894307 /nfs/dbraw/zinc/89/43/07/1422894307.db2.gz KVSUNPRSMAYSNN-UHFFFAOYSA-N 0 1 390.505 3.411 20 0 GGADMN CC(C)c1ccccc1OCCC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000154485270 1422895203 /nfs/dbraw/zinc/89/52/03/1422895203.db2.gz JCYZYRMGEVCKOM-UHFFFAOYSA-N 0 1 396.535 3.042 20 0 GGADMN CC[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(OC)cc1 ZINC000154487350 1422895597 /nfs/dbraw/zinc/89/55/97/1422895597.db2.gz IWUZPHXHEYOXEX-LJQANCHMSA-N 0 1 396.535 3.042 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CC=CC2)c1 ZINC000154506066 1422897797 /nfs/dbraw/zinc/89/77/97/1422897797.db2.gz ILISAIGTTSSADW-UHFFFAOYSA-N 0 1 386.473 3.253 20 0 GGADMN COC(=O)CC1(NCc2csc(Nc3ccccc3C)n2)CCOCC1 ZINC000154536056 1422908865 /nfs/dbraw/zinc/90/88/65/1422908865.db2.gz BSTFZPNVYBYNFC-UHFFFAOYSA-N 0 1 375.494 3.397 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c1 ZINC000154549444 1422920873 /nfs/dbraw/zinc/92/08/73/1422920873.db2.gz XGZSEAOHNIDAKS-ZDUSSCGKSA-N 0 1 396.896 3.375 20 0 GGADMN COc1sc(CNC2(C(=O)NCC3CC3)CCCC2)cc1Br ZINC000154552657 1422924704 /nfs/dbraw/zinc/92/47/04/1422924704.db2.gz PQDDSTPOGQQZPY-UHFFFAOYSA-N 0 1 387.343 3.448 20 0 GGADMN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000154559860 1422930096 /nfs/dbraw/zinc/93/00/96/1422930096.db2.gz AYTXNZMPYRTGFI-IFXJQAMLSA-N 0 1 383.467 3.412 20 0 GGADMN Cc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)ccc1OC1CCOCC1 ZINC000154564126 1422934126 /nfs/dbraw/zinc/93/41/26/1422934126.db2.gz FHNIDAXISZJUOA-UHFFFAOYSA-N 0 1 387.461 3.230 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1F ZINC000154582831 1422944071 /nfs/dbraw/zinc/94/40/71/1422944071.db2.gz DYVUTHLHYRJKQN-GOSISDBHSA-N 0 1 387.480 3.007 20 0 GGADMN C[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCN(C)CC2)c2ccccc21 ZINC000154588321 1422946382 /nfs/dbraw/zinc/94/63/82/1422946382.db2.gz DQIOFINZSGISBP-UWJYYQICSA-N 0 1 393.535 3.271 20 0 GGADMN C[C@@H]1CC[C@@H](NC(=O)NCc2cccnc2N2CCN(C)CC2)c2ccccc21 ZINC000154588432 1422947085 /nfs/dbraw/zinc/94/70/85/1422947085.db2.gz DQIOFINZSGISBP-DYESRHJHSA-N 0 1 393.535 3.271 20 0 GGADMN CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000154599189 1422955257 /nfs/dbraw/zinc/95/52/57/1422955257.db2.gz CDXGJCNDJVCGSX-UHFFFAOYSA-N 0 1 386.471 3.347 20 0 GGADMN CC(C)CC(=O)N[C@H](C(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000154601846 1422956409 /nfs/dbraw/zinc/95/64/09/1422956409.db2.gz OHGCXIDPDVZOKV-QFIPXVFZSA-N 0 1 399.510 3.407 20 0 GGADMN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000154610884 1422961346 /nfs/dbraw/zinc/96/13/46/1422961346.db2.gz DYHWHUJLNZMPGQ-HNNXBMFYSA-N 0 1 384.480 3.092 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179829596 1429599842 /nfs/dbraw/zinc/59/98/42/1429599842.db2.gz ZTVOMYSFRSTREK-LBPRGKRZSA-N 0 1 389.481 3.332 20 0 GGADMN CC[C@H](C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)N1CCc2ccccc2C1 ZINC000825120139 1429600035 /nfs/dbraw/zinc/60/00/35/1429600035.db2.gz HYMUXZFBPMQYEW-HNAYVOBHSA-N 0 1 394.498 3.493 20 0 GGADMN CC1CCN(c2ccc(C(=O)NCc3ccc(CN(C)C)c(F)c3)cn2)CC1 ZINC000154619032 1422965615 /nfs/dbraw/zinc/96/56/15/1422965615.db2.gz DWIOMQPIEOOPHJ-UHFFFAOYSA-N 0 1 384.499 3.449 20 0 GGADMN CCCCNC(=O)C1(NCc2ccc(OC)c(OC)c2OC)CCCCC1 ZINC000154629566 1422971882 /nfs/dbraw/zinc/97/18/82/1422971882.db2.gz DLGMDXFYBFEAHY-UHFFFAOYSA-N 0 1 378.513 3.421 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C2OCCO2)c1 ZINC000154641559 1422977495 /nfs/dbraw/zinc/97/74/95/1422977495.db2.gz JUMVPZPDYRGQBD-UHFFFAOYSA-N 0 1 384.451 3.266 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)n1 ZINC000154642735 1422979468 /nfs/dbraw/zinc/97/94/68/1422979468.db2.gz UPZLAJYWUXOGKE-LBPRGKRZSA-N 0 1 390.403 3.021 20 0 GGADMN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000154644283 1422979669 /nfs/dbraw/zinc/97/96/69/1422979669.db2.gz XLUAVZGEKSQJPI-KUHUBIRLSA-N 0 1 383.467 3.412 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1F ZINC000154645194 1422980685 /nfs/dbraw/zinc/98/06/85/1422980685.db2.gz FJDKVXCDTJIJOR-UHFFFAOYSA-N 0 1 384.455 3.101 20 0 GGADMN COc1ccc(-n2ccc(C(=O)NCc3ccc(CN(C)C)c(F)c3)n2)cc1 ZINC000154645552 1422981141 /nfs/dbraw/zinc/98/11/41/1422981141.db2.gz PFSYDMZBFPJVAO-UHFFFAOYSA-N 0 1 382.439 3.012 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179838370 1429604975 /nfs/dbraw/zinc/60/49/75/1429604975.db2.gz TXDMYLHOXAXLRR-CQSZACIVSA-N 0 1 395.442 3.418 20 0 GGADMN CNC(=O)CCCN(C)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000154694807 1423003273 /nfs/dbraw/zinc/00/32/73/1423003273.db2.gz CWMUISVQBJSSSE-OAQYLSRUSA-N 0 1 387.911 3.004 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)N(C)C ZINC000154696115 1423003906 /nfs/dbraw/zinc/00/39/06/1423003906.db2.gz JAADTFKNZYYWDU-GOSISDBHSA-N 0 1 376.478 3.161 20 0 GGADMN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179839717 1429605372 /nfs/dbraw/zinc/60/53/72/1429605372.db2.gz VABFGFLXRZZOTQ-UHFFFAOYSA-N 0 1 395.369 3.363 20 0 GGADMN Cc1cccn2c(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)cnc12 ZINC000154737844 1423017231 /nfs/dbraw/zinc/01/72/31/1423017231.db2.gz TZGAPUGCAZWCTA-UHFFFAOYSA-N 0 1 380.467 3.310 20 0 GGADMN COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ncccc23)N2CCCCC2)cc1 ZINC000154744022 1423018960 /nfs/dbraw/zinc/01/89/60/1423018960.db2.gz GRZDUKOSJUZXBH-NRFANRHFSA-N 0 1 392.503 3.457 20 0 GGADMN CN(C)C(=O)COc1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 ZINC000154747764 1423020100 /nfs/dbraw/zinc/02/01/00/1423020100.db2.gz XTCGTXXJARICFP-UHFFFAOYSA-N 0 1 398.850 3.449 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2sc(N(C)C)nc2C)N2CCCC2)cc1 ZINC000154749594 1423020758 /nfs/dbraw/zinc/02/07/58/1423020758.db2.gz DDSCIVONVKUIDS-QGZVFWFLSA-N 0 1 388.537 3.093 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(Cl)nc(Cl)c1 ZINC000154767025 1423026404 /nfs/dbraw/zinc/02/64/04/1423026404.db2.gz KMKOBOIJDFNOJO-GOEBONIOSA-N 0 1 394.302 3.001 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CCN2CCN(CC(F)(F)F)CC2)CC1 ZINC000179843416 1429607041 /nfs/dbraw/zinc/60/70/41/1429607041.db2.gz BEMIHYXSADQGCI-UHFFFAOYSA-N 0 1 379.467 3.204 20 0 GGADMN C[C@H](NC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1nnc[nH]1 ZINC000154796548 1423036528 /nfs/dbraw/zinc/03/65/28/1423036528.db2.gz XHQXSKYBBNWTSH-OIBJUYFYSA-N 0 1 397.279 3.367 20 0 GGADMN Cc1[nH]c(SCC(=O)N(C)CCCn2ccnc2)nc1Cc1ccccc1 ZINC000154806364 1423040687 /nfs/dbraw/zinc/04/06/87/1423040687.db2.gz FQELJRZMKKVSML-UHFFFAOYSA-N 0 1 383.521 3.146 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)N2CCCC2)c1 ZINC000154810364 1423041896 /nfs/dbraw/zinc/04/18/96/1423041896.db2.gz PWDARFYMAVPHMP-VFNWGFHPSA-N 0 1 384.524 3.167 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)N2CCCC2)c1 ZINC000154810695 1423041998 /nfs/dbraw/zinc/04/19/98/1423041998.db2.gz PWDARFYMAVPHMP-YCRPNKLZSA-N 0 1 384.524 3.167 20 0 GGADMN CS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cs1 ZINC000179848545 1429608570 /nfs/dbraw/zinc/60/85/70/1429608570.db2.gz GKDFHVBPYVGSDH-UHFFFAOYSA-N 0 1 398.469 3.342 20 0 GGADMN Cc1cccc(NC(=O)N2CCN(C(=O)[C@@H](N)c3cccc(Cl)c3)CC2)c1 ZINC000154843164 1423051785 /nfs/dbraw/zinc/05/17/85/1423051785.db2.gz MXNZYAFPDBPCRD-SFHVURJKSA-N 0 1 386.883 3.025 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154857709 1423056659 /nfs/dbraw/zinc/05/66/59/1423056659.db2.gz HQKOXQZCUPYNLO-IBGZPJMESA-N 0 1 376.451 3.291 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CN2C[C@H](c3cccc(F)c3)CC2=O)C1 ZINC000154859829 1423057938 /nfs/dbraw/zinc/05/79/38/1423057938.db2.gz RWYHVXUFUUHYSU-FUHWJXTLSA-N 0 1 376.472 3.154 20 0 GGADMN C[C@H](c1ccc(F)c(Cl)c1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154868936 1423060511 /nfs/dbraw/zinc/06/05/11/1423060511.db2.gz VZCAINGVIRHLFF-CYBMUJFWSA-N 0 1 378.879 3.416 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(Cl)nc(N4CCCC4)c3)[nH]c21 ZINC000154870191 1423061422 /nfs/dbraw/zinc/06/14/22/1423061422.db2.gz XJXVJIKVTWZHIJ-UHFFFAOYSA-N 0 1 399.838 3.250 20 0 GGADMN O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179853587 1429610273 /nfs/dbraw/zinc/61/02/73/1429610273.db2.gz DXOYIURCMMFCHQ-UHFFFAOYSA-N 0 1 380.273 3.118 20 0 GGADMN O=C(CN1CCC[C@@H](Nc2ccccc2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000154881242 1423065195 /nfs/dbraw/zinc/06/51/95/1423065195.db2.gz FSGAOVZNFBHUME-YADHBBJMSA-N 0 1 397.494 3.302 20 0 GGADMN CNC(=O)CCCN(C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000154881203 1423065409 /nfs/dbraw/zinc/06/54/09/1423065409.db2.gz HSTIVGLOLBAODV-QGZVFWFLSA-N 0 1 383.492 3.051 20 0 GGADMN CN1CCC(=O)Nc2cc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)ccc21 ZINC000154882317 1423065958 /nfs/dbraw/zinc/06/59/58/1423065958.db2.gz NEMRZXGLBIQYPK-LJQANCHMSA-N 0 1 396.491 3.015 20 0 GGADMN O=C(CCCOc1ccc2c(c1)OCO2)NC[C@@H](c1ccco1)N1CCCC1 ZINC000154884029 1423067344 /nfs/dbraw/zinc/06/73/44/1423067344.db2.gz AAQOBRFJNFACJT-KRWDZBQOSA-N 0 1 386.448 3.121 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN(C4CCCCC4)CC3)[nH]n2)cc1OC ZINC000154887173 1423068182 /nfs/dbraw/zinc/06/81/82/1423068182.db2.gz DUHLFXPGDVHHGR-UHFFFAOYSA-N 0 1 398.507 3.184 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc3c(C)cc(F)cc3c2O)N(C)C)c1 ZINC000154899795 1423072721 /nfs/dbraw/zinc/07/27/21/1423072721.db2.gz MPLBZEKXTWKYIG-LJQANCHMSA-N 0 1 397.450 3.017 20 0 GGADMN COCCOc1ccc(CNC(=O)CN[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000154907315 1423076167 /nfs/dbraw/zinc/07/61/67/1423076167.db2.gz FKYUKHCCORIAKK-HNNXBMFYSA-N 0 1 376.884 3.332 20 0 GGADMN CNC(=O)CCCN(C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000154910418 1423077861 /nfs/dbraw/zinc/07/78/61/1423077861.db2.gz VWYLUZXKYWIRFS-OAQYLSRUSA-N 0 1 387.911 3.004 20 0 GGADMN C[C@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)n1nnc(-c2ccccc2)n1 ZINC000179855082 1429611333 /nfs/dbraw/zinc/61/13/33/1429611333.db2.gz NDNHJINFAMFEDL-SNVBAGLBSA-N 0 1 383.362 3.354 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000154921084 1423080984 /nfs/dbraw/zinc/08/09/84/1423080984.db2.gz ZEABXQCSMAENQE-MRXNPFEDSA-N 0 1 385.420 3.040 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)o1 ZINC000154934065 1423084173 /nfs/dbraw/zinc/08/41/73/1423084173.db2.gz XVSKHTQRMCLDJX-UHFFFAOYSA-N 0 1 391.512 3.395 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN(C)[C@@H]2CCCCNC2=O)c2ccccc2)cc1 ZINC000154937347 1423084998 /nfs/dbraw/zinc/08/49/98/1423084998.db2.gz ZNWHKPJTVPKNLD-DNVJHFABSA-N 0 1 396.531 3.062 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@]1(C)CCCS1 ZINC000154949239 1423089247 /nfs/dbraw/zinc/08/92/47/1423089247.db2.gz MBAUEKPRUCRLEH-HXUWFJFHSA-N 0 1 392.569 3.244 20 0 GGADMN C[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000154953320 1423090440 /nfs/dbraw/zinc/09/04/40/1423090440.db2.gz LNAOTJHQTNLEMI-LBPRGKRZSA-N 0 1 388.411 3.277 20 0 GGADMN COc1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1OC(F)F ZINC000179856527 1429612324 /nfs/dbraw/zinc/61/23/24/1429612324.db2.gz OPLAHQPTFLJHBP-UHFFFAOYSA-N 0 1 395.406 3.444 20 0 GGADMN CN(CC(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1)[C@@H]1CCSC1 ZINC000154985461 1423100020 /nfs/dbraw/zinc/10/00/20/1423100020.db2.gz XDMPCMXTIJIEKR-DYESRHJHSA-N 0 1 394.544 3.216 20 0 GGADMN C[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCN1 ZINC000155007211 1423110934 /nfs/dbraw/zinc/11/09/34/1423110934.db2.gz JDGHOUPIIOFXCK-HNAYVOBHSA-N 0 1 385.895 3.022 20 0 GGADMN CC[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1cc(F)ccc1F ZINC000155008178 1423112076 /nfs/dbraw/zinc/11/20/76/1423112076.db2.gz PSRAZBYHOLLPLY-MRXNPFEDSA-N 0 1 386.402 3.229 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[C@@H](O)C(C)C)N1CCCC1 ZINC000155018316 1423117272 /nfs/dbraw/zinc/11/72/72/1423117272.db2.gz NEEGTTJLUYUCIQ-ICSRJNTNSA-N 0 1 391.556 3.174 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[C@@H](O)C(C)C)N1CCCC1 ZINC000155018488 1423118691 /nfs/dbraw/zinc/11/86/91/1423118691.db2.gz NEEGTTJLUYUCIQ-QUCCMNQESA-N 0 1 391.556 3.174 20 0 GGADMN CCc1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)co1 ZINC000155038936 1423129691 /nfs/dbraw/zinc/12/96/91/1423129691.db2.gz IQDCVWKEXGDWQI-UHFFFAOYSA-N 0 1 382.386 3.260 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000179865134 1429615557 /nfs/dbraw/zinc/61/55/57/1429615557.db2.gz MJENXZYXUQHHRL-UHFFFAOYSA-N 0 1 381.342 3.299 20 0 GGADMN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179863843 1429615595 /nfs/dbraw/zinc/61/55/95/1429615595.db2.gz HSPPHXAYCXXAOE-UHFFFAOYSA-N 0 1 385.378 3.126 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H](Nc2ccccc2)C1 ZINC000155053575 1423136998 /nfs/dbraw/zinc/13/69/98/1423136998.db2.gz HKKJUONIIFQQSN-SFTDATJTSA-N 0 1 398.503 3.214 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c[nH]c12 ZINC000155054320 1423137501 /nfs/dbraw/zinc/13/75/01/1423137501.db2.gz SWSGCJRQMJTFKD-ZDUSSCGKSA-N 0 1 384.457 3.143 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1 ZINC000155080596 1423150267 /nfs/dbraw/zinc/15/02/67/1423150267.db2.gz ALOYHNZKFYHSIM-UHFFFAOYSA-N 0 1 390.440 3.496 20 0 GGADMN COc1ccc(CCC(=O)N2CCN(Cc3cccc(Cl)c3O)CC2)cc1 ZINC000179874294 1429619628 /nfs/dbraw/zinc/61/96/28/1429619628.db2.gz ZGUZWOOOTWIOST-UHFFFAOYSA-N 0 1 388.895 3.331 20 0 GGADMN Cc1cccc2nc(CNC(=O)c3ccc(C[NH+]4CCSCC4)cc3)[nH]c21 ZINC000155099968 1423161550 /nfs/dbraw/zinc/16/15/50/1423161550.db2.gz FOKJDZZCQOBNKA-UHFFFAOYSA-N 0 1 380.517 3.350 20 0 GGADMN Cc1cccc2[nH]c(CNC(=O)c3ccc(CN4CCSCC4)cc3)nc21 ZINC000155099968 1423161559 /nfs/dbraw/zinc/16/15/59/1423161559.db2.gz FOKJDZZCQOBNKA-UHFFFAOYSA-N 0 1 380.517 3.350 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@](C)(CO)C2)CC1 ZINC000155109004 1423171331 /nfs/dbraw/zinc/17/13/31/1423171331.db2.gz AOVHJWURDXMTKD-FQEVSTJZSA-N 0 1 394.947 3.108 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000155110706 1423172651 /nfs/dbraw/zinc/17/26/51/1423172651.db2.gz QBJYPIYXYICKQH-WBVHZDCISA-N 0 1 394.947 3.249 20 0 GGADMN COc1cc(N[C@@H]2CCCN(CC(=O)N(C(C)C)C(C)C)C2)cc(OC)c1 ZINC000155116329 1423176724 /nfs/dbraw/zinc/17/67/24/1423176724.db2.gz PTGFSBMJXOBCPM-QGZVFWFLSA-N 0 1 377.529 3.226 20 0 GGADMN COc1cc(N[C@H]2CCCN([C@H](C)C(=O)NCc3ccccc3)C2)cc(OC)c1 ZINC000155124109 1423181735 /nfs/dbraw/zinc/18/17/35/1423181735.db2.gz DTGPJBYGRMMXLK-MJGOQNOKSA-N 0 1 397.519 3.285 20 0 GGADMN CNC(=O)c1cccc(CN2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c1 ZINC000155139288 1423191302 /nfs/dbraw/zinc/19/13/02/1423191302.db2.gz WQZRAOCMKLTBFP-GOSISDBHSA-N 0 1 383.492 3.140 20 0 GGADMN CN(C(=O)CNC(C)(C)C(=O)NCC1CCCC1)[C@H]1CCCc2ccccc21 ZINC000155147512 1423196491 /nfs/dbraw/zinc/19/64/91/1423196491.db2.gz CCEHXTRBTNFCPV-FQEVSTJZSA-N 0 1 385.552 3.197 20 0 GGADMN C[C@H]1CN(Cc2ccccc2NCCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000155155392 1423200361 /nfs/dbraw/zinc/20/03/61/1423200361.db2.gz CWTMKKGHUGYVSC-IRXDYDNUSA-N 0 1 393.487 3.004 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(Nc2cnccn2)c1)c1cccc(F)c1 ZINC000155158869 1423203006 /nfs/dbraw/zinc/20/30/06/1423203006.db2.gz RJKUEGDTGKZMBZ-IBGZPJMESA-N 0 1 379.439 3.392 20 0 GGADMN C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)C1(N2CCOCC2)CCCC1 ZINC000155175862 1423212796 /nfs/dbraw/zinc/21/27/96/1423212796.db2.gz WKWTXRBWBOWWRM-ZGKFYVQTSA-N 0 1 379.504 3.398 20 0 GGADMN CN(CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CCSC1 ZINC000155177744 1423214920 /nfs/dbraw/zinc/21/49/20/1423214920.db2.gz UXEGKYOBHBADPY-IBGZPJMESA-N 0 1 394.544 3.138 20 0 GGADMN C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C1(N2CCOCC2)CCCC1 ZINC000155179619 1423216283 /nfs/dbraw/zinc/21/62/83/1423216283.db2.gz MRWYKSXBSWPQQI-KRWDZBQOSA-N 0 1 383.492 3.034 20 0 GGADMN CS(=O)(=O)c1cccc(OCCN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000155179734 1423216719 /nfs/dbraw/zinc/21/67/19/1423216719.db2.gz ZYIVCYWVJKKYHT-QGZVFWFLSA-N 0 1 377.481 3.173 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCOc1cccc(S(C)(=O)=O)c1 ZINC000155180060 1423217968 /nfs/dbraw/zinc/21/79/68/1423217968.db2.gz GOECASAFDJSCMN-RDJZCZTQSA-N 0 1 377.481 3.486 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000155180477 1423219111 /nfs/dbraw/zinc/21/91/11/1423219111.db2.gz FUXZMEDHBQEYFB-SFHVURJKSA-N 0 1 397.544 3.295 20 0 GGADMN CCc1ccc([C@H](NCCn2cccn2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179884061 1429623325 /nfs/dbraw/zinc/62/33/25/1429623325.db2.gz JLYSWACGWFQIBG-NRFANRHFSA-N 0 1 383.517 3.228 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000155189851 1423229931 /nfs/dbraw/zinc/22/99/31/1423229931.db2.gz BMYZOKQBUUQNBK-SJORKVTESA-N 0 1 397.544 3.389 20 0 GGADMN COCCCOc1cc(C)ccc1CNc1[nH+]c(C)cc(C)c1-c1nnn[n-]1 ZINC000821688638 1423231107 /nfs/dbraw/zinc/23/11/07/1423231107.db2.gz STYMBGYEQZDCJO-UHFFFAOYSA-N 0 1 382.468 3.214 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(-c4ncco4)c3)c2)CC1 ZINC000155192065 1423232800 /nfs/dbraw/zinc/23/28/00/1423232800.db2.gz JKPJNVGLHSJAKF-UHFFFAOYSA-N 0 1 376.460 3.341 20 0 GGADMN Cc1c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000179885590 1429624336 /nfs/dbraw/zinc/62/43/36/1429624336.db2.gz FKNIEOGPFUKXKE-CALCHBBNSA-N 0 1 384.524 3.312 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCn2cccn2)c2ccc(Cl)cc2)c1 ZINC000179884223 1429624380 /nfs/dbraw/zinc/62/43/80/1429624380.db2.gz MPTNGXKOKQLCNC-IBGZPJMESA-N 0 1 389.908 3.319 20 0 GGADMN COC(=O)c1cc(CN2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)oc1C ZINC000155202294 1423242395 /nfs/dbraw/zinc/24/23/95/1423242395.db2.gz JXEMXNPNRIJKFN-HNNXBMFYSA-N 0 1 388.464 3.468 20 0 GGADMN COc1cc(N[C@H]2CCCN([C@@H](C)C(=O)N3CCC(C)CC3)C2)cc(OC)c1 ZINC000155202588 1423242549 /nfs/dbraw/zinc/24/25/49/1423242549.db2.gz YMUWPSUBICRZBM-ROUUACIJSA-N 0 1 389.540 3.227 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nnc3n2c2ccccc2c(=O)n3C)C1 ZINC000155210413 1423247496 /nfs/dbraw/zinc/24/74/96/1423247496.db2.gz WFLUWEMVGTXYBM-IAGOWNOFSA-N 0 1 387.487 3.268 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000155209760 1423248007 /nfs/dbraw/zinc/24/80/07/1423248007.db2.gz XQCKRPQTYYOPKR-PZJWPPBQSA-N 0 1 393.531 3.127 20 0 GGADMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCSc3nnc(C)[nH]3)cc2)n1 ZINC000155214275 1423249952 /nfs/dbraw/zinc/24/99/52/1423249952.db2.gz IPSDOZXOYUNQMU-AWEZNQCLSA-N 0 1 384.509 3.275 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000155215558 1423251113 /nfs/dbraw/zinc/25/11/13/1423251113.db2.gz HZXORMMNMSKDCN-INIZCTEOSA-N 0 1 393.466 3.362 20 0 GGADMN COc1ccc([C@@H]2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)C2)cc1 ZINC000155217998 1423252907 /nfs/dbraw/zinc/25/29/07/1423252907.db2.gz LHYNFKNCFKJTQV-QGZVFWFLSA-N 0 1 390.505 3.062 20 0 GGADMN COC(=O)Cc1csc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000155217419 1423252940 /nfs/dbraw/zinc/25/29/40/1423252940.db2.gz MAFQPKGHAGKZJO-UHFFFAOYSA-N 0 1 387.505 3.099 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN(Cc2ccccc2)CC2CCC2)n1 ZINC000155217419 1423252947 /nfs/dbraw/zinc/25/29/47/1423252947.db2.gz MAFQPKGHAGKZJO-UHFFFAOYSA-N 0 1 387.505 3.099 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)N(C)C)cc1 ZINC000179889912 1429626280 /nfs/dbraw/zinc/62/62/80/1429626280.db2.gz PIWKPAPBCWEKJJ-INIZCTEOSA-N 0 1 395.837 3.284 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ncccc2OCC(F)F)CC1 ZINC000155222392 1423255340 /nfs/dbraw/zinc/25/53/40/1423255340.db2.gz GJRKPKWNEQPMJF-CQSZACIVSA-N 0 1 390.434 3.076 20 0 GGADMN COC(=O)c1ccc(F)cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179890011 1429626425 /nfs/dbraw/zinc/62/64/25/1429626425.db2.gz YDJYOBSFCMOPBT-GFCCVEGCSA-N 0 1 387.415 3.019 20 0 GGADMN Cc1nc(COc2ccc(CN3CCN(C)C[C@@H]3c3ccccc3)cc2)no1 ZINC000155229215 1423260015 /nfs/dbraw/zinc/26/00/15/1423260015.db2.gz SEFVXSQUICCQSY-OAQYLSRUSA-N 0 1 378.476 3.446 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000155231295 1423261619 /nfs/dbraw/zinc/26/16/19/1423261619.db2.gz OKZNMTXVKJVORN-SFHVURJKSA-N 0 1 389.858 3.371 20 0 GGADMN Cc1nnc(-c2ccc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc2)o1 ZINC000155234420 1423262817 /nfs/dbraw/zinc/26/28/17/1423262817.db2.gz NTGMGZBBSPRPGR-OAHLLOKOSA-N 0 1 391.475 3.395 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1C[C@@H](c3ccccc3C)C[C@H]1C)[nH]c2=O ZINC000155236734 1423264697 /nfs/dbraw/zinc/26/46/97/1423264697.db2.gz QSWQODJDWHIYNN-WBVHZDCISA-N 0 1 391.471 3.396 20 0 GGADMN C[N@@H+](CCc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821605038 1423266257 /nfs/dbraw/zinc/26/62/57/1423266257.db2.gz ROOVCODZGFBXJL-UHFFFAOYSA-N 0 1 377.370 3.282 20 0 GGADMN Cc1cccc2nc(CNC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)[nH]c21 ZINC000155247545 1423272793 /nfs/dbraw/zinc/27/27/93/1423272793.db2.gz VSYNJFWQCAKZJD-SFHVURJKSA-N 0 1 382.439 3.081 20 0 GGADMN CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000155254703 1423279420 /nfs/dbraw/zinc/27/94/20/1423279420.db2.gz OLYAUYJTWWMZER-GOSISDBHSA-N 0 1 389.565 3.211 20 0 GGADMN CC(=O)N(c1nc(/C=C/C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cs1)c1ccccc1 ZINC000155270124 1423289254 /nfs/dbraw/zinc/28/92/54/1423289254.db2.gz AQQXVDJWHILJIY-VQAKBWMISA-N 0 1 398.532 3.392 20 0 GGADMN C[C@H](NC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1nnc[nH]1 ZINC000155273801 1423291938 /nfs/dbraw/zinc/29/19/38/1423291938.db2.gz CRWXUNNRBAEMNR-OIBJUYFYSA-N 0 1 379.289 3.070 20 0 GGADMN CN(CC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CCSC1 ZINC000155273447 1423292107 /nfs/dbraw/zinc/29/21/07/1423292107.db2.gz IWZOXOXCXBYQLU-MRXNPFEDSA-N 0 1 375.469 3.067 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)N[C@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000155282544 1423297181 /nfs/dbraw/zinc/29/71/81/1423297181.db2.gz CCIVXSXCOSBNKH-AEFFLSMTSA-N 0 1 398.503 3.379 20 0 GGADMN CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000155284267 1423298592 /nfs/dbraw/zinc/29/85/92/1423298592.db2.gz SDTLGCQLHNTTEB-ROUUACIJSA-N 0 1 387.528 3.483 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc(O)c(F)c1)N1CCCC1 ZINC000155286038 1423300521 /nfs/dbraw/zinc/30/05/21/1423300521.db2.gz AEOQBDWTGBTHHL-GOSISDBHSA-N 0 1 387.455 3.176 20 0 GGADMN CCC[N@H+](Cc1nc(CC)cc(=O)[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155296281 1423305113 /nfs/dbraw/zinc/30/51/13/1423305113.db2.gz UCKNHWCFOIHNMG-UHFFFAOYSA-N 0 1 378.517 3.356 20 0 GGADMN CCC[N@@H+](Cc1nc(CC)cc(=O)[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000155296281 1423305126 /nfs/dbraw/zinc/30/51/26/1423305126.db2.gz UCKNHWCFOIHNMG-UHFFFAOYSA-N 0 1 378.517 3.356 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)C2)cc1 ZINC000155295402 1423305398 /nfs/dbraw/zinc/30/53/98/1423305398.db2.gz MENWCOXGHKSXBB-KRWDZBQOSA-N 0 1 382.460 3.285 20 0 GGADMN CS[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179901269 1429631674 /nfs/dbraw/zinc/63/16/74/1429631674.db2.gz YEIYVHNPDFTUDA-LLVKDONJSA-N 0 1 382.436 3.183 20 0 GGADMN CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736525083 1423317344 /nfs/dbraw/zinc/31/73/44/1423317344.db2.gz ZGALVVIYCKBMOQ-HNAYVOBHSA-N 0 1 378.480 3.127 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000155329240 1423320288 /nfs/dbraw/zinc/32/02/88/1423320288.db2.gz LQAQMJGGFDLSJQ-OAHLLOKOSA-N 0 1 377.448 3.087 20 0 GGADMN CC(C)(C(=O)Nc1nc(SCCO)n[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000155332415 1423320494 /nfs/dbraw/zinc/32/04/94/1423320494.db2.gz HLFXXZMOICAPJE-UHFFFAOYSA-N 0 1 382.489 3.472 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155332812 1423320999 /nfs/dbraw/zinc/32/09/99/1423320999.db2.gz SSLNVCJHRDHMAC-MRXNPFEDSA-N 0 1 391.531 3.410 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)n[nH]2)cc1OC ZINC000155337856 1423322792 /nfs/dbraw/zinc/32/27/92/1423322792.db2.gz YIUYLZGSNLIEHV-CRAIPNDOSA-N 0 1 397.475 3.458 20 0 GGADMN c1ccc2c(c1)cncc2NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826523681 1423323117 /nfs/dbraw/zinc/32/31/17/1423323117.db2.gz UBTQPNVHEUAVRU-UHFFFAOYSA-N 0 1 385.475 3.491 20 0 GGADMN CC(C)(NCC(=O)N(Cc1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000155343074 1423325778 /nfs/dbraw/zinc/32/57/78/1423325778.db2.gz GSLQKJKALDZTNG-UHFFFAOYSA-N 0 1 385.552 3.242 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000155344260 1423326132 /nfs/dbraw/zinc/32/61/32/1423326132.db2.gz QUCIWFQPAOKWJR-WIYYLYMNSA-N 0 1 395.434 3.181 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000155345979 1423326249 /nfs/dbraw/zinc/32/62/49/1423326249.db2.gz QNPGOMSRYYGFHA-QGZVFWFLSA-N 0 1 375.476 3.223 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000155346089 1423327522 /nfs/dbraw/zinc/32/75/22/1423327522.db2.gz UDTGDNKQIIXNIW-HXUWFJFHSA-N 0 1 376.460 3.336 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000155346194 1423327648 /nfs/dbraw/zinc/32/76/48/1423327648.db2.gz UDTGDNKQIIXNIW-FQEVSTJZSA-N 0 1 376.460 3.336 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000155361502 1423332633 /nfs/dbraw/zinc/33/26/33/1423332633.db2.gz PQOHBUZDVLIGFN-KBPBESRZSA-N 0 1 375.444 3.018 20 0 GGADMN Cc1onc(-c2ccncc2)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155372941 1423338643 /nfs/dbraw/zinc/33/86/43/1423338643.db2.gz OLDHJTNFTVLVLK-OAHLLOKOSA-N 0 1 391.475 3.395 20 0 GGADMN Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc(SCCO)n[nH]3)c2c1 ZINC000155382029 1423341845 /nfs/dbraw/zinc/34/18/45/1423341845.db2.gz NRKCWKHBLBRKKR-UHFFFAOYSA-N 0 1 383.477 3.184 20 0 GGADMN Cc1ccn(C)c(=O)c1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000155401776 1423349014 /nfs/dbraw/zinc/34/90/14/1423349014.db2.gz GEFQUGLNANUEDF-KRWDZBQOSA-N 0 1 388.899 3.306 20 0 GGADMN CC(C)[C@@H](NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)c1ccc(F)cc1 ZINC000155401066 1423349706 /nfs/dbraw/zinc/34/97/06/1423349706.db2.gz AZPNLXVXDYHWLN-GOSISDBHSA-N 0 1 379.520 3.170 20 0 GGADMN O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000179907432 1429634452 /nfs/dbraw/zinc/63/44/52/1429634452.db2.gz IOAYFUVPTWTZCM-QGZVFWFLSA-N 0 1 380.423 3.427 20 0 GGADMN O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000179907432 1429634458 /nfs/dbraw/zinc/63/44/58/1429634458.db2.gz IOAYFUVPTWTZCM-QGZVFWFLSA-N 0 1 380.423 3.427 20 0 GGADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155407758 1423352035 /nfs/dbraw/zinc/35/20/35/1423352035.db2.gz QEHBBGSTUGIXKJ-OAHLLOKOSA-N 0 1 387.524 3.483 20 0 GGADMN Cc1nn2c(nc(C)cc2C)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155409428 1423352770 /nfs/dbraw/zinc/35/27/70/1423352770.db2.gz SBVQXFNCJBZKJH-QGZVFWFLSA-N 0 1 392.507 3.005 20 0 GGADMN Cc1nc(-c2cccc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)c2)n[nH]1 ZINC000155427820 1423358683 /nfs/dbraw/zinc/35/86/83/1423358683.db2.gz UZEHGZGKMFWCJC-HNNXBMFYSA-N 0 1 390.491 3.131 20 0 GGADMN CCc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000155430366 1423360282 /nfs/dbraw/zinc/36/02/82/1423360282.db2.gz SMXRJXIHYFHVIG-GOSISDBHSA-N 0 1 380.536 3.206 20 0 GGADMN CCc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000155430260 1423360727 /nfs/dbraw/zinc/36/07/27/1423360727.db2.gz SMXRJXIHYFHVIG-SFHVURJKSA-N 0 1 380.536 3.206 20 0 GGADMN O=C(Nc1cccc(CN2CCOCC2)n1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000179908594 1429635501 /nfs/dbraw/zinc/63/55/01/1429635501.db2.gz XIBDWCMCKHYAPA-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000155443999 1423366583 /nfs/dbraw/zinc/36/65/83/1423366583.db2.gz FLRNZGZZRQWVQP-UHFFFAOYSA-N 0 1 393.547 3.483 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)CO1 ZINC000822351004 1423370005 /nfs/dbraw/zinc/37/00/05/1423370005.db2.gz JCDDROZCPMTMER-UWJYYQICSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)CO1 ZINC000822351004 1423370014 /nfs/dbraw/zinc/37/00/14/1423370014.db2.gz JCDDROZCPMTMER-UWJYYQICSA-N 0 1 393.491 3.406 20 0 GGADMN Cc1nn(C)c2sc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc12 ZINC000155453326 1423370634 /nfs/dbraw/zinc/37/06/34/1423370634.db2.gz WESPYBCJBZQHLF-AWEZNQCLSA-N 0 1 383.521 3.294 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000736899474 1429636080 /nfs/dbraw/zinc/63/60/80/1429636080.db2.gz ALHQCCHQPVJQCC-YSSFQJQWSA-N 0 1 391.475 3.206 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000736899474 1429636084 /nfs/dbraw/zinc/63/60/84/1429636084.db2.gz ALHQCCHQPVJQCC-YSSFQJQWSA-N 0 1 391.475 3.206 20 0 GGADMN CCO[C@@H]1CCCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000155458736 1423372562 /nfs/dbraw/zinc/37/25/62/1423372562.db2.gz SSKXBUAWLNOSHS-GOSISDBHSA-N 0 1 382.932 3.052 20 0 GGADMN COc1cc(CN2CCC(NC(=O)C3CC3)CC2)ccc1OCc1ccncc1 ZINC000179910910 1429636183 /nfs/dbraw/zinc/63/61/83/1429636183.db2.gz SKRVBYSULZRUKF-UHFFFAOYSA-N 0 1 395.503 3.160 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@H](CO)c2ccccc2)nc1Cc1ccccc1 ZINC000155463715 1423375085 /nfs/dbraw/zinc/37/50/85/1423375085.db2.gz OTBVBMZFMJIAIU-LJQANCHMSA-N 0 1 381.501 3.251 20 0 GGADMN CSc1nc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c2ccccn21 ZINC000155470414 1423377605 /nfs/dbraw/zinc/37/76/05/1423377605.db2.gz SDTDMSNBZBPRTF-HNNXBMFYSA-N 0 1 395.532 3.407 20 0 GGADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(NC(=O)C2CC2)CC1 ZINC000179911710 1429636697 /nfs/dbraw/zinc/63/66/97/1429636697.db2.gz VHLMTQPYLTUSNF-UHFFFAOYSA-N 0 1 380.536 3.347 20 0 GGADMN CC[C@H](C)[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000155474965 1423379433 /nfs/dbraw/zinc/37/94/33/1423379433.db2.gz DKEYNFNIPRSPGK-SGTLLEGYSA-N 0 1 396.459 3.251 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000155473663 1423379475 /nfs/dbraw/zinc/37/94/75/1423379475.db2.gz WNVQXQMXRKKUAH-JXFKEZNVSA-N 0 1 395.494 3.416 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155476050 1423380120 /nfs/dbraw/zinc/38/01/20/1423380120.db2.gz ZFJCOMWJEJTTFJ-CQSZACIVSA-N 0 1 381.948 3.390 20 0 GGADMN CCOc1ncc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1Cl ZINC000155475610 1423380278 /nfs/dbraw/zinc/38/02/78/1423380278.db2.gz HQIWXJUCHNUHCH-AWEZNQCLSA-N 0 1 388.899 3.484 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000155485242 1423383156 /nfs/dbraw/zinc/38/31/56/1423383156.db2.gz YFITWZGLXCFORK-UHFFFAOYSA-N 0 1 391.431 3.105 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155489249 1423384041 /nfs/dbraw/zinc/38/40/41/1423384041.db2.gz MKLGZVKDLDAVMS-CQSZACIVSA-N 0 1 384.455 3.135 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2)C[C@H](C)O1 ZINC000155489971 1423384741 /nfs/dbraw/zinc/38/47/41/1423384741.db2.gz ITGOLYACAGFLBT-OKILXGFUSA-N 0 1 394.431 3.171 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000155497376 1423387361 /nfs/dbraw/zinc/38/73/61/1423387361.db2.gz XYFXDSJWZZQAJI-NLWGTHIKSA-N 0 1 382.508 3.317 20 0 GGADMN COc1ccc(CN(CC(=O)Nc2cc(F)ccc2F)[C@H](CO)C(C)C)cc1 ZINC000179923686 1429643167 /nfs/dbraw/zinc/64/31/67/1429643167.db2.gz KXYCFHORVAFUBI-HXUWFJFHSA-N 0 1 392.446 3.431 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cncc(OC(C)C)c2)N2CCCC2)c1 ZINC000155508086 1423392203 /nfs/dbraw/zinc/39/22/03/1423392203.db2.gz GBBDDAPNSWXCIL-OAQYLSRUSA-N 0 1 383.492 3.444 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1F ZINC000155509633 1423393301 /nfs/dbraw/zinc/39/33/01/1423393301.db2.gz QIRKGAWRSGWBRU-FQEVSTJZSA-N 0 1 395.494 3.416 20 0 GGADMN CC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(C)noc1C ZINC000179915328 1429638300 /nfs/dbraw/zinc/63/83/00/1429638300.db2.gz JYNJNGFEMKEDJK-LLVKDONJSA-N 0 1 391.378 3.311 20 0 GGADMN Cc1nc(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cs1 ZINC000155526704 1423400652 /nfs/dbraw/zinc/40/06/52/1423400652.db2.gz ZOVXZQMEHGXFFO-UHFFFAOYSA-N 0 1 386.521 3.447 20 0 GGADMN CC[C@H](NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)c1ccc(Cl)cc1 ZINC000155534872 1423404532 /nfs/dbraw/zinc/40/45/32/1423404532.db2.gz ACYVOVNWMHBICH-INIZCTEOSA-N 0 1 381.948 3.438 20 0 GGADMN O=C(CCCNC(=O)c1cccnc1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000155544523 1423412014 /nfs/dbraw/zinc/41/20/14/1423412014.db2.gz VNWQSAMQHDFMQE-UHFFFAOYSA-N 0 1 389.415 3.367 20 0 GGADMN CC[C@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1OCC(=O)N(C)C ZINC000155549114 1423412567 /nfs/dbraw/zinc/41/25/67/1423412567.db2.gz KUQFXWKXQIDRMJ-UZTOHYMASA-N 0 1 388.533 3.132 20 0 GGADMN COCCOc1ccccc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155559026 1423417264 /nfs/dbraw/zinc/41/72/64/1423417264.db2.gz VHEITBBBMNLRNH-KRWDZBQOSA-N 0 1 383.492 3.062 20 0 GGADMN Cc1ccc(CNCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cn1 ZINC000155556666 1423417329 /nfs/dbraw/zinc/41/73/29/1423417329.db2.gz ZHBZGMUDKCAUCZ-UHFFFAOYSA-N 0 1 399.491 3.297 20 0 GGADMN COCCOc1ccccc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155559144 1423418481 /nfs/dbraw/zinc/41/84/81/1423418481.db2.gz VHEITBBBMNLRNH-QGZVFWFLSA-N 0 1 383.492 3.062 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000155562449 1423419495 /nfs/dbraw/zinc/41/94/95/1423419495.db2.gz FSLGZTPIAMHCOQ-QAPCUYQASA-N 0 1 399.516 3.440 20 0 GGADMN C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577937 1423422558 /nfs/dbraw/zinc/42/25/58/1423422558.db2.gz PITVYUWMRJKIMB-MRXNPFEDSA-N 0 1 386.569 3.269 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1)C1CC1 ZINC000120710026 1423436323 /nfs/dbraw/zinc/43/63/23/1423436323.db2.gz AECRAQPZRIXWHS-UHFFFAOYSA-N 0 1 376.464 3.027 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1)C1CC1 ZINC000120710026 1423436329 /nfs/dbraw/zinc/43/63/29/1423436329.db2.gz AECRAQPZRIXWHS-UHFFFAOYSA-N 0 1 376.464 3.027 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1)C1CC1 ZINC000120710026 1423436334 /nfs/dbraw/zinc/43/63/34/1423436334.db2.gz AECRAQPZRIXWHS-UHFFFAOYSA-N 0 1 376.464 3.027 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001139094680 1423440839 /nfs/dbraw/zinc/44/08/39/1423440839.db2.gz FIUVCDRPSNAKRH-GOSISDBHSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001139094680 1423440841 /nfs/dbraw/zinc/44/08/41/1423440841.db2.gz FIUVCDRPSNAKRH-GOSISDBHSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001139094680 1423440845 /nfs/dbraw/zinc/44/08/45/1423440845.db2.gz FIUVCDRPSNAKRH-GOSISDBHSA-N 0 1 398.511 3.231 20 0 GGADMN C[C@H](C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000155622420 1423452642 /nfs/dbraw/zinc/45/26/42/1423452642.db2.gz LRTYKAKSCDZLHG-DDUZABMNSA-N 0 1 399.963 3.025 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCc2cc(F)ccc2C1 ZINC000179923710 1429642978 /nfs/dbraw/zinc/64/29/78/1429642978.db2.gz PYSLAONOYVUGCI-UHFFFAOYSA-N 0 1 388.349 3.163 20 0 GGADMN CC(C)Oc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824334598 1423456209 /nfs/dbraw/zinc/45/62/09/1423456209.db2.gz YSMOMQOUVGNGEW-HNNXBMFYSA-N 0 1 394.479 3.333 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000824546492 1423461308 /nfs/dbraw/zinc/46/13/08/1423461308.db2.gz JLGNZDQUZFTSHY-ZUOKHONESA-N 0 1 388.475 3.480 20 0 GGADMN C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821610043 1429644347 /nfs/dbraw/zinc/64/43/47/1429644347.db2.gz XWZNTRKSSAJHLU-INIZCTEOSA-N 0 1 378.263 3.339 20 0 GGADMN C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820409894 1423467511 /nfs/dbraw/zinc/46/75/11/1423467511.db2.gz BLVXQEBSXUILDP-XKQJLSEDSA-N 0 1 386.500 3.211 20 0 GGADMN COc1ccc(CN(CC(=O)NCc2sccc2C)[C@H](CO)C(C)C)cc1 ZINC000179925817 1429644877 /nfs/dbraw/zinc/64/48/77/1429644877.db2.gz DWNXJIJEWQMYGY-LJQANCHMSA-N 0 1 390.549 3.200 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821889721 1423472194 /nfs/dbraw/zinc/47/21/94/1423472194.db2.gz FDFVGDZEWFKHEC-GOSISDBHSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821889721 1423472198 /nfs/dbraw/zinc/47/21/98/1423472198.db2.gz FDFVGDZEWFKHEC-GOSISDBHSA-N 0 1 392.463 3.041 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(Cl)c1)c1ccco1 ZINC000155668783 1423478200 /nfs/dbraw/zinc/47/82/00/1423478200.db2.gz JHTGSIIURHBVOP-HNNXBMFYSA-N 0 1 381.835 3.210 20 0 GGADMN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)N1CCN(CC2CC2)CC1 ZINC000155678680 1423483809 /nfs/dbraw/zinc/48/38/09/1423483809.db2.gz RRQFAYGHCNEKRU-HNNXBMFYSA-N 0 1 377.357 3.305 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cn1 ZINC000179928243 1429646074 /nfs/dbraw/zinc/64/60/74/1429646074.db2.gz SHZSBDLUQBBAIE-QGZVFWFLSA-N 0 1 386.496 3.488 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(OC(C)(C)C)nc1)c1cccs1 ZINC000179927993 1429646111 /nfs/dbraw/zinc/64/61/11/1429646111.db2.gz FAFPHVCPIQQXGG-HNNXBMFYSA-N 0 1 376.526 3.423 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN(C)[C@@H](c2ccccc2)C(C)C)n1 ZINC000155687824 1423487110 /nfs/dbraw/zinc/48/71/10/1423487110.db2.gz WOXFNJZENSLAAO-GOSISDBHSA-N 0 1 375.494 3.126 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000179927684 1429646390 /nfs/dbraw/zinc/64/63/90/1429646390.db2.gz MSKSDCBYXIRSCR-ZTFGCOKTSA-N 0 1 381.879 3.189 20 0 GGADMN COCCCOc1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155689670 1423488078 /nfs/dbraw/zinc/48/80/78/1423488078.db2.gz GFXDEMMHGGYSLI-GOSISDBHSA-N 0 1 397.519 3.452 20 0 GGADMN CC1CCN([C@@H](CNC(=O)c2cccc3c2oc(=O)n3C)c2cccs2)CC1 ZINC000155692397 1423489303 /nfs/dbraw/zinc/48/93/03/1423489303.db2.gz YLJMDCXEYFMUNU-KRWDZBQOSA-N 0 1 399.516 3.396 20 0 GGADMN C[N@H+]1CC[C@H](CNc2cnccc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022791 1423490306 /nfs/dbraw/zinc/49/03/06/1423490306.db2.gz RRAAXYZSIFOCIM-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN Cc1cc([C@@H](C)NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(C)o1 ZINC000179929080 1429647099 /nfs/dbraw/zinc/64/70/99/1429647099.db2.gz VOZLNTMOVMXNJF-MRVPVSSYSA-N 0 1 397.927 3.054 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4ccccc4C=O)C3)[nH]c2c1 ZINC000155717732 1423501965 /nfs/dbraw/zinc/50/19/65/1423501965.db2.gz IQWVEEWSGVUGJZ-MRXNPFEDSA-N 0 1 377.444 3.469 20 0 GGADMN COc1ccc(CN(CC(=O)Nc2ccc(F)cc2F)[C@H](CO)C(C)C)cc1 ZINC000179930819 1429648062 /nfs/dbraw/zinc/64/80/62/1429648062.db2.gz NMHNNQUOAGCBBM-HXUWFJFHSA-N 0 1 392.446 3.431 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(Cn2ccnn2)CC1)c1ccc2c(c1)CCCC2 ZINC000155732258 1423508758 /nfs/dbraw/zinc/50/87/58/1423508758.db2.gz ZLUFOVDZRWQVGG-MSOLQXFVSA-N 0 1 395.551 3.135 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CCC(=O)NC4CCCC4)C3)[nH]c2c1 ZINC000155752586 1423517624 /nfs/dbraw/zinc/51/76/24/1423517624.db2.gz BDAJDARGHHNBSC-INIZCTEOSA-N 0 1 382.508 3.416 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155760618 1423521887 /nfs/dbraw/zinc/52/18/87/1423521887.db2.gz TVUYSPGREJDMCB-RDJZCZTQSA-N 0 1 397.910 3.267 20 0 GGADMN COc1ccc(C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)[C@H](CO)C(C)C)cc1 ZINC000179924427 1429643727 /nfs/dbraw/zinc/64/37/27/1429643727.db2.gz BBOMFXYLYUACLG-QGZVFWFLSA-N 0 1 387.505 3.012 20 0 GGADMN NC(=O)N1CCc2cc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)ccc21 ZINC000155768228 1423525582 /nfs/dbraw/zinc/52/55/82/1423525582.db2.gz XHNIJZWGAFFEIE-UHFFFAOYSA-N 0 1 381.823 3.424 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN(Cc2ccccc2)[C@H](C)CCO)c1 ZINC000155772186 1423527980 /nfs/dbraw/zinc/52/79/80/1423527980.db2.gz KTCSIFOQPKSHBT-LJQANCHMSA-N 0 1 375.534 3.432 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCOc2ccccc21 ZINC000155780689 1423531505 /nfs/dbraw/zinc/53/15/05/1423531505.db2.gz ZSZMMQUWELEXJX-HXUWFJFHSA-N 0 1 380.492 3.259 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000155784680 1423533501 /nfs/dbraw/zinc/53/35/01/1423533501.db2.gz PAHIOYWGJAJBBH-OAHLLOKOSA-N 0 1 375.488 3.413 20 0 GGADMN Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361392 1423533408 /nfs/dbraw/zinc/53/34/08/1423533408.db2.gz VTGUPHOERFIARO-LSBZLQRGSA-N 0 1 377.496 3.326 20 0 GGADMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000824901206 1423534565 /nfs/dbraw/zinc/53/45/65/1423534565.db2.gz YBHGRZIFWWCDJO-ACJLOTCBSA-N 0 1 377.427 3.237 20 0 GGADMN CN1CCN(c2ccc(NC(=O)C3(c4ccc(F)cc4F)CCC3)nc2)CC1 ZINC000179937095 1429651256 /nfs/dbraw/zinc/65/12/56/1429651256.db2.gz JMANXNNEGLWSRC-UHFFFAOYSA-N 0 1 386.446 3.172 20 0 GGADMN O=C1[C@H](N2CCC[C@@H](c3nnc4ccccn43)C2)CCCN1c1cccc(F)c1 ZINC000155803831 1423541611 /nfs/dbraw/zinc/54/16/11/1423541611.db2.gz CUKOVJNIICEEDD-VQIMIIECSA-N 0 1 393.466 3.243 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000155808929 1423543483 /nfs/dbraw/zinc/54/34/83/1423543483.db2.gz WIXAAMSESIZOLG-LSDHHAIUSA-N 0 1 392.521 3.332 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000155811325 1423544127 /nfs/dbraw/zinc/54/41/27/1423544127.db2.gz TVVCRTWTPJGACG-QGZVFWFLSA-N 0 1 389.521 3.059 20 0 GGADMN C[C@@H](CNC(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000155811039 1423544691 /nfs/dbraw/zinc/54/46/91/1423544691.db2.gz BAIIQPJHQQQIPO-BJLQDIEVSA-N 0 1 391.519 3.217 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000155811157 1423544756 /nfs/dbraw/zinc/54/47/56/1423544756.db2.gz BAIIQPJHQQQIPO-HBFSDRIKSA-N 0 1 391.519 3.217 20 0 GGADMN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000155823351 1423549620 /nfs/dbraw/zinc/54/96/20/1423549620.db2.gz SLVAZIWGFCZYSY-UHFFFAOYSA-N 0 1 378.904 3.134 20 0 GGADMN Cc1ccc(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)c(OC[C@H]2CCCO2)c1 ZINC000822238742 1423553209 /nfs/dbraw/zinc/55/32/09/1423553209.db2.gz SIFSEPUDKICGAQ-QGZVFWFLSA-N 0 1 394.479 3.357 20 0 GGADMN C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000155849828 1423560432 /nfs/dbraw/zinc/56/04/32/1423560432.db2.gz UDXVQAXAFUQZDK-WMZOPIPTSA-N 0 1 375.513 3.008 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000155881906 1423575482 /nfs/dbraw/zinc/57/54/82/1423575482.db2.gz XYKOXZNWODIJQL-DYESRHJHSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000155881906 1423575500 /nfs/dbraw/zinc/57/55/00/1423575500.db2.gz XYKOXZNWODIJQL-DYESRHJHSA-N 0 1 399.560 3.098 20 0 GGADMN CC[N@H+](Cc1ccccc1C)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736555382 1429653984 /nfs/dbraw/zinc/65/39/84/1429653984.db2.gz INVZQNOTJGZCJR-UHFFFAOYSA-N 0 1 388.479 3.222 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)CC1 ZINC000824957419 1423586206 /nfs/dbraw/zinc/58/62/06/1423586206.db2.gz XPBARHPVVJQXOQ-KRWDZBQOSA-N 0 1 395.555 3.089 20 0 GGADMN CCc1ccc(CC[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000825712379 1423586637 /nfs/dbraw/zinc/58/66/37/1423586637.db2.gz PRXXAXZIXWZCQS-UHFFFAOYSA-N 0 1 390.535 3.226 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000155908652 1423589653 /nfs/dbraw/zinc/58/96/53/1423589653.db2.gz BKVAPAGMCHUORN-HXUWFJFHSA-N 0 1 396.487 3.060 20 0 GGADMN C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155919354 1423594450 /nfs/dbraw/zinc/59/44/50/1423594450.db2.gz VQXOWVHCVXWJLC-QGZVFWFLSA-N 0 1 378.582 3.240 20 0 GGADMN Cc1cc(F)cc2c(O)c(C(=O)NCc3ccc(CN(C)C)c(F)c3)cnc12 ZINC000155920295 1423595274 /nfs/dbraw/zinc/59/52/74/1423595274.db2.gz RJTAHSPNAUHICQ-UHFFFAOYSA-N 0 1 385.414 3.106 20 0 GGADMN O=C(CSc1c[nH]nn1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000155922257 1423595330 /nfs/dbraw/zinc/59/53/30/1423595330.db2.gz DVCZFLPNLZCLKZ-UHFFFAOYSA-N 0 1 385.518 3.466 20 0 GGADMN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1n[nH]c2ccccc21 ZINC000155923816 1423595974 /nfs/dbraw/zinc/59/59/74/1423595974.db2.gz KITGPVYNGMWJMN-AWEZNQCLSA-N 0 1 395.463 3.429 20 0 GGADMN C[C@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000155924501 1423596591 /nfs/dbraw/zinc/59/65/91/1423596591.db2.gz YKTDPZUNUSKPSW-ZDUSSCGKSA-N 0 1 396.322 3.174 20 0 GGADMN CCC[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000825323459 1423599494 /nfs/dbraw/zinc/59/94/94/1423599494.db2.gz WLMQAYVPJVUTGC-FQEVSTJZSA-N 0 1 391.523 3.138 20 0 GGADMN CCC[N@H+](Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000825323459 1423599499 /nfs/dbraw/zinc/59/94/99/1423599499.db2.gz WLMQAYVPJVUTGC-FQEVSTJZSA-N 0 1 391.523 3.138 20 0 GGADMN CCC[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000825323459 1423599504 /nfs/dbraw/zinc/59/95/04/1423599504.db2.gz WLMQAYVPJVUTGC-FQEVSTJZSA-N 0 1 391.523 3.138 20 0 GGADMN CCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825323459 1423599508 /nfs/dbraw/zinc/59/95/08/1423599508.db2.gz WLMQAYVPJVUTGC-FQEVSTJZSA-N 0 1 391.523 3.138 20 0 GGADMN CCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825323459 1423599511 /nfs/dbraw/zinc/59/95/11/1423599511.db2.gz WLMQAYVPJVUTGC-FQEVSTJZSA-N 0 1 391.523 3.138 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000155944115 1423603927 /nfs/dbraw/zinc/60/39/27/1423603927.db2.gz MIINQWMRQSZAIG-HOTGVXAUSA-N 0 1 383.492 3.406 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2ccc(C)cc2OCC(F)(F)F)[nH]1 ZINC000155951687 1423607139 /nfs/dbraw/zinc/60/71/39/1423607139.db2.gz RMBWHQAYBUTDLN-UHFFFAOYSA-N 0 1 388.415 3.161 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000155969587 1423613960 /nfs/dbraw/zinc/61/39/60/1423613960.db2.gz JCLAJPCICHRANY-YOEHRIQHSA-N 0 1 399.495 3.237 20 0 GGADMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)NC1CC1 ZINC000155975273 1423616397 /nfs/dbraw/zinc/61/63/97/1423616397.db2.gz WMFGKNYPFIDWQK-UHFFFAOYSA-N 0 1 396.472 3.078 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(OCCOC)cc2)cc1 ZINC000179947978 1429657467 /nfs/dbraw/zinc/65/74/67/1429657467.db2.gz SFCDHMCYIQAHNT-MRXNPFEDSA-N 0 1 377.506 3.356 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000179947913 1429657570 /nfs/dbraw/zinc/65/75/70/1429657570.db2.gz NUNIOCCMWYOYFC-UHFFFAOYSA-N 0 1 384.251 3.461 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccc(Cl)cc1Cl ZINC000155998200 1423627539 /nfs/dbraw/zinc/62/75/39/1423627539.db2.gz ZWTUDPRKODWYLZ-CYBMUJFWSA-N 0 1 396.322 3.174 20 0 GGADMN Cc1cc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)n(C(C)(C)C)n1 ZINC000156018302 1423635571 /nfs/dbraw/zinc/63/55/71/1423635571.db2.gz FVFNENBUUXAMAC-LJQANCHMSA-N 0 1 384.524 3.158 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](c3ccc(F)cc3F)C(C)C)C2)CC1 ZINC000156019929 1423636338 /nfs/dbraw/zinc/63/63/38/1423636338.db2.gz NLIAZUUUBBCNFK-FXAWDEMLSA-N 0 1 394.510 3.083 20 0 GGADMN Fc1cccc(N2CCC[C@H](Nc3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)c1 ZINC000822792482 1423641539 /nfs/dbraw/zinc/64/15/39/1423641539.db2.gz YJRRVHUUPSMOMZ-HNNXBMFYSA-N 0 1 389.438 3.057 20 0 GGADMN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000156034440 1423643638 /nfs/dbraw/zinc/64/36/38/1423643638.db2.gz KZYIIPHWJAYQGC-GOSISDBHSA-N 0 1 389.858 3.198 20 0 GGADMN COc1ccc(Br)c([C@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)c1 ZINC000156037164 1423644845 /nfs/dbraw/zinc/64/48/45/1423644845.db2.gz SWWASIVQEMXAQJ-CQSZACIVSA-N 0 1 399.310 3.202 20 0 GGADMN C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1nc2ccc(Cl)cc2[nH]1 ZINC000156038938 1423646309 /nfs/dbraw/zinc/64/63/09/1423646309.db2.gz PRWOPMYMPKBEHX-OLZOCXBDSA-N 0 1 398.850 3.264 20 0 GGADMN Fc1cccc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1-c1nnn[n-]1 ZINC000737663946 1423646641 /nfs/dbraw/zinc/64/66/41/1423646641.db2.gz KZZBPALMFXKRGA-UHFFFAOYSA-N 0 1 393.470 3.281 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000156049660 1423650201 /nfs/dbraw/zinc/65/02/01/1423650201.db2.gz JLZSJFYYZZNQJZ-HNNXBMFYSA-N 0 1 390.505 3.297 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cccc4[nH]cnc43)cc2)C[C@@H](C)O1 ZINC000156056421 1423653941 /nfs/dbraw/zinc/65/39/41/1423653941.db2.gz UGBLQZLSTDCIEE-HZPDHXFCSA-N 0 1 378.476 3.102 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cccc4[nH]cnc43)cc2)C[C@H](C)O1 ZINC000156056292 1423653982 /nfs/dbraw/zinc/65/39/82/1423653982.db2.gz UGBLQZLSTDCIEE-HOTGVXAUSA-N 0 1 378.476 3.102 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccccc3OCC3CC3)cc2[nH]c1=S ZINC000156066469 1423658226 /nfs/dbraw/zinc/65/82/26/1423658226.db2.gz QFPZXHRVQSUTMF-UHFFFAOYSA-N 0 1 381.457 3.263 20 0 GGADMN CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1nc(CC(=O)OC)cs1 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ZINC000156122706 1423682650 /nfs/dbraw/zinc/68/26/50/1423682650.db2.gz HAZPWFHGVWOUEQ-UHFFFAOYSA-N 0 1 379.420 3.213 20 0 GGADMN CCC[C@H](NC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)c1ccc(F)cc1F ZINC000156126913 1423684086 /nfs/dbraw/zinc/68/40/86/1423684086.db2.gz YEPUJLQCQFJHKH-XLIONFOSSA-N 0 1 394.510 3.227 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000156133537 1423687203 /nfs/dbraw/zinc/68/72/03/1423687203.db2.gz UPJYQTKKJJANMI-OAQYLSRUSA-N 0 1 379.504 3.078 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@@H](c2cccs2)C1 ZINC000822334742 1429662675 /nfs/dbraw/zinc/66/26/75/1429662675.db2.gz FRKSORYGYMYZTG-OAHLLOKOSA-N 0 1 378.461 3.363 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000156138379 1423688769 /nfs/dbraw/zinc/68/87/69/1423688769.db2.gz BTUGLSLTQYBZBN-FQEVSTJZSA-N 0 1 382.508 3.142 20 0 GGADMN c1c2ccccc2sc1C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823802037 1423689175 /nfs/dbraw/zinc/68/91/75/1423689175.db2.gz FYNMKWOCSITXAM-UHFFFAOYSA-N 0 1 391.504 3.235 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN(C)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000156148911 1423695263 /nfs/dbraw/zinc/69/52/63/1423695263.db2.gz NKFWCHQOGWTBND-GOSISDBHSA-N 0 1 378.900 3.061 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1Cl ZINC000179960373 1429663428 /nfs/dbraw/zinc/66/34/28/1429663428.db2.gz FAKDNWVZEVHWNS-UHFFFAOYSA-N 0 1 389.864 3.414 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)N3CCN(C)C[C@@H]3C(C)C)cn2)c1 ZINC000156157118 1423699564 /nfs/dbraw/zinc/69/95/64/1423699564.db2.gz OZJYGBYJICBVPT-HXUWFJFHSA-N 0 1 398.507 3.364 20 0 GGADMN COC(=O)c1ccc(N2CCN(C(=O)c3ccc(O)c(Cl)c3)[C@H](C)C2)cc1 ZINC000156167456 1423704151 /nfs/dbraw/zinc/70/41/51/1423704151.db2.gz FNHMMYKRJNQSGW-CYBMUJFWSA-N 0 1 388.851 3.183 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198238 1423715888 /nfs/dbraw/zinc/71/58/88/1423715888.db2.gz RKYIQIUKTPKOEL-FZKQIMNGSA-N 0 1 396.882 3.318 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736198238 1423715895 /nfs/dbraw/zinc/71/58/95/1423715895.db2.gz RKYIQIUKTPKOEL-FZKQIMNGSA-N 0 1 396.882 3.318 20 0 GGADMN Cn1c(=O)oc2c1cccc2C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000156214851 1423730581 /nfs/dbraw/zinc/73/05/81/1423730581.db2.gz GQXAOSFANSEJFD-UHFFFAOYSA-N 0 1 399.878 3.179 20 0 GGADMN COc1ccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)cc1-c1nnn[n-]1 ZINC000826193655 1423737454 /nfs/dbraw/zinc/73/74/54/1423737454.db2.gz KNHWHHCRMWOMLH-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN CCC[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1nn[n-]n1 ZINC000136671342 1423738786 /nfs/dbraw/zinc/73/87/86/1423738786.db2.gz DXODEHGCKCGVGW-LJQANCHMSA-N 0 1 378.480 3.103 20 0 GGADMN CCC[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1nnn[n-]1 ZINC000136671342 1423738793 /nfs/dbraw/zinc/73/87/93/1423738793.db2.gz DXODEHGCKCGVGW-LJQANCHMSA-N 0 1 378.480 3.103 20 0 GGADMN CCC[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1nnn[n-]1 ZINC000136671342 1423738799 /nfs/dbraw/zinc/73/87/99/1423738799.db2.gz DXODEHGCKCGVGW-LJQANCHMSA-N 0 1 378.480 3.103 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)NC1(c2cccc(Cl)c2)CC1 ZINC000156243360 1423740226 /nfs/dbraw/zinc/74/02/26/1423740226.db2.gz IHGHXMKMTMNJIN-UHFFFAOYSA-N 0 1 382.851 3.142 20 0 GGADMN CC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000156268396 1423750604 /nfs/dbraw/zinc/75/06/04/1423750604.db2.gz AEKVJBQAOVAFDG-UHFFFAOYSA-N 0 1 380.425 3.433 20 0 GGADMN COc1ccc(N(Cc2ccco2)C(=O)CN(C)[C@@H]2CCSC2)cc1F ZINC000156271719 1423751437 /nfs/dbraw/zinc/75/14/37/1423751437.db2.gz GCUMNOCKAPJPQE-OAHLLOKOSA-N 0 1 378.469 3.398 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820020145 1423751526 /nfs/dbraw/zinc/75/15/26/1423751526.db2.gz CELKCXQFBADIHT-UXHICEINSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020145 1423751529 /nfs/dbraw/zinc/75/15/29/1423751529.db2.gz CELKCXQFBADIHT-UXHICEINSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020145 1423751532 /nfs/dbraw/zinc/75/15/32/1423751532.db2.gz CELKCXQFBADIHT-UXHICEINSA-N 0 1 383.471 3.238 20 0 GGADMN CCc1ccc(CN[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000156282545 1423756811 /nfs/dbraw/zinc/75/68/11/1423756811.db2.gz GQLQSORDBTYLQZ-OAHLLOKOSA-N 0 1 394.562 3.182 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000156306770 1423769066 /nfs/dbraw/zinc/76/90/66/1423769066.db2.gz QOPDCJYPTKZAED-INIZCTEOSA-N 0 1 398.469 3.455 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)c1 ZINC000156308263 1423769634 /nfs/dbraw/zinc/76/96/34/1423769634.db2.gz PQBGJLSOMRWBCZ-UHFFFAOYSA-N 0 1 383.496 3.127 20 0 GGADMN O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000156318717 1423775916 /nfs/dbraw/zinc/77/59/16/1423775916.db2.gz BIBYRKAKDCVABW-OAHLLOKOSA-N 0 1 377.231 3.242 20 0 GGADMN CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820225490 1423776494 /nfs/dbraw/zinc/77/64/94/1423776494.db2.gz JTCAWPUVKPCHFT-HNNXBMFYSA-N 0 1 378.480 3.497 20 0 GGADMN C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cnn(C)c1 ZINC000179973468 1429670579 /nfs/dbraw/zinc/67/05/79/1429670579.db2.gz HCSFWNZBKOURNK-GUYCJALGSA-N 0 1 380.414 3.281 20 0 GGADMN CC[C@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1 ZINC000156322985 1423778467 /nfs/dbraw/zinc/77/84/67/1423778467.db2.gz TVQACEQAXKSIDQ-HXUWFJFHSA-N 0 1 380.536 3.342 20 0 GGADMN CCc1ccc([C@H](C)CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000156324021 1423779081 /nfs/dbraw/zinc/77/90/81/1423779081.db2.gz PINSRZNCPIHALA-GOSISDBHSA-N 0 1 380.536 3.206 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000156328068 1423781230 /nfs/dbraw/zinc/78/12/30/1423781230.db2.gz AIDQBAXQCKUNFJ-XXBNENTESA-N 0 1 385.552 3.224 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000156332282 1423783567 /nfs/dbraw/zinc/78/35/67/1423783567.db2.gz QFWBJKFOMLRACL-GKVSMKOHSA-N 0 1 376.909 3.363 20 0 GGADMN Brc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000823826477 1423791424 /nfs/dbraw/zinc/79/14/24/1423791424.db2.gz JVUUKCLCWASWPV-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000823826477 1423791426 /nfs/dbraw/zinc/79/14/26/1423791426.db2.gz JVUUKCLCWASWPV-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN CCc1ccc(O)c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000156351271 1423793434 /nfs/dbraw/zinc/79/34/34/1423793434.db2.gz UGMQPOXKXQHBBJ-UHFFFAOYSA-N 0 1 382.441 3.499 20 0 GGADMN COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1OC ZINC000821777457 1423795468 /nfs/dbraw/zinc/79/54/68/1423795468.db2.gz FSYVHTNDWXDHHL-AWEZNQCLSA-N 0 1 399.520 3.468 20 0 GGADMN COc1cc(F)cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000156359459 1423797496 /nfs/dbraw/zinc/79/74/96/1423797496.db2.gz MSYVDVZVRZQMTA-UHFFFAOYSA-N 0 1 386.404 3.378 20 0 GGADMN COC[C@H](N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(C)o1 ZINC000156362532 1423798205 /nfs/dbraw/zinc/79/82/05/1423798205.db2.gz RGUJANKWOASOMR-DYVFJYSZSA-N 0 1 376.453 3.300 20 0 GGADMN COC[C@H](N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(C)o1 ZINC000156362302 1423798262 /nfs/dbraw/zinc/79/82/62/1423798262.db2.gz RGUJANKWOASOMR-GUYCJALGSA-N 0 1 376.453 3.300 20 0 GGADMN O=C(CC[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1ccccc1-c1nnn[n-]1 ZINC000737844816 1423799981 /nfs/dbraw/zinc/79/99/81/1423799981.db2.gz WPXWQSRVMPTSOU-QGZVFWFLSA-N 0 1 380.452 3.406 20 0 GGADMN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000156378425 1423801859 /nfs/dbraw/zinc/80/18/59/1423801859.db2.gz OKKBHZRITUUPMT-UHFFFAOYSA-N 0 1 390.848 3.158 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CCc1cnn(C)c1C)N1CCCCC1 ZINC000156404385 1423806220 /nfs/dbraw/zinc/80/62/20/1423806220.db2.gz VCOGMYVIUXBOQL-HXUWFJFHSA-N 0 1 384.524 3.013 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccccc3F)C3CCCC3)CCO2)n[nH]1 ZINC000156418184 1423807961 /nfs/dbraw/zinc/80/79/61/1423807961.db2.gz PLKDILSJEQOFGV-ROUUACIJSA-N 0 1 387.459 3.267 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccs4)CC3)n[nH]2)cc1 ZINC000156436033 1423810359 /nfs/dbraw/zinc/81/03/59/1423810359.db2.gz MDRFAVUGUDFDLX-UHFFFAOYSA-N 0 1 382.489 3.105 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156445601 1423811302 /nfs/dbraw/zinc/81/13/02/1423811302.db2.gz KBQTVXRZGMYTGS-KEYYUXOJSA-N 0 1 378.423 3.395 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000156455597 1423812264 /nfs/dbraw/zinc/81/22/64/1423812264.db2.gz NPGQKWXDUFXHMU-QHCPKHFHSA-N 0 1 393.531 3.445 20 0 GGADMN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cn1 ZINC000156474496 1423815219 /nfs/dbraw/zinc/81/52/19/1423815219.db2.gz CTFPGMMKZLDULR-MRXNPFEDSA-N 0 1 397.866 3.341 20 0 GGADMN COc1ccc(-c2nc(CN(C)C[C@@H]3CCN(C(C)=O)C3)cs2)c(OC)c1 ZINC000156487507 1423817069 /nfs/dbraw/zinc/81/70/69/1423817069.db2.gz ZPJMZLKZLNDDGE-HNNXBMFYSA-N 0 1 389.521 3.128 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000156491860 1423817760 /nfs/dbraw/zinc/81/77/60/1423817760.db2.gz JWSBLCZEABQVTC-OAQYLSRUSA-N 0 1 379.504 3.324 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000156491990 1423818187 /nfs/dbraw/zinc/81/81/87/1423818187.db2.gz JWSBLCZEABQVTC-NRFANRHFSA-N 0 1 379.504 3.324 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000821702272 1423822459 /nfs/dbraw/zinc/82/24/59/1423822459.db2.gz NWKLBRYAMDVKLF-RDTXWAMCSA-N 0 1 397.454 3.476 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000156536237 1423824228 /nfs/dbraw/zinc/82/42/28/1423824228.db2.gz MXILIIAKPLUTEP-MRXNPFEDSA-N 0 1 385.483 3.054 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000156536103 1423824395 /nfs/dbraw/zinc/82/43/95/1423824395.db2.gz MXILIIAKPLUTEP-INIZCTEOSA-N 0 1 385.483 3.054 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)[nH]n2)cc1 ZINC000156542608 1423825669 /nfs/dbraw/zinc/82/56/69/1423825669.db2.gz FKRFTTVNZLLNOU-UHFFFAOYSA-N 0 1 376.416 3.464 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000156545306 1423825974 /nfs/dbraw/zinc/82/59/74/1423825974.db2.gz ZRHDSFRXUBOVNT-GOSISDBHSA-N 0 1 381.520 3.224 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C[C@@H](c2ccsc2)O1 ZINC000156544270 1423826178 /nfs/dbraw/zinc/82/61/78/1423826178.db2.gz QYQFUDDEZNFFEM-UTKZUKDTSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C[C@H](c2ccsc2)O1 ZINC000156544107 1423826249 /nfs/dbraw/zinc/82/62/49/1423826249.db2.gz QYQFUDDEZNFFEM-DYESRHJHSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000156572039 1423830278 /nfs/dbraw/zinc/83/02/78/1423830278.db2.gz LMHPYPUJJNAARE-HNNXBMFYSA-N 0 1 384.455 3.439 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)[nH]n2)cc1 ZINC000156575611 1423831155 /nfs/dbraw/zinc/83/11/55/1423831155.db2.gz JEDYORQOARKYDZ-UHFFFAOYSA-N 0 1 378.432 3.476 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000824761956 1423832980 /nfs/dbraw/zinc/83/29/80/1423832980.db2.gz DJRIHSVQKFLBJI-JLTOFOAXSA-N 0 1 383.883 3.261 20 0 GGADMN CCOCCC1(CNC(=O)NCC2(CN3CCOCC3)CCCCC2)CCC1 ZINC000156600736 1423834221 /nfs/dbraw/zinc/83/42/21/1423834221.db2.gz YPTQDRXICGXVNH-UHFFFAOYSA-N 0 1 395.588 3.165 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000156601348 1423834746 /nfs/dbraw/zinc/83/47/46/1423834746.db2.gz KOTJYSNKNNSZST-OAQYLSRUSA-N 0 1 379.504 3.020 20 0 GGADMN Cn1ccnc1SCc1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000156611163 1423835349 /nfs/dbraw/zinc/83/53/49/1423835349.db2.gz WWOTYXGJRFMONW-UHFFFAOYSA-N 0 1 391.460 3.145 20 0 GGADMN Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)sc2nc(C)nc(N)c12 ZINC000156641898 1423839880 /nfs/dbraw/zinc/83/98/80/1423839880.db2.gz IXMDRWGJXYTHKC-LRDDRELGSA-N 0 1 395.532 3.141 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2OCC2CC2)N(C)C)cc1 ZINC000156645258 1423840376 /nfs/dbraw/zinc/84/03/76/1423840376.db2.gz BIOIESZCRKNNKH-HXUWFJFHSA-N 0 1 395.503 3.141 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(Nc2cnccn2)c1)c1ccc(F)cc1 ZINC000156647114 1423840637 /nfs/dbraw/zinc/84/06/37/1423840637.db2.gz DRLAYJTXROVOOM-IBGZPJMESA-N 0 1 379.439 3.392 20 0 GGADMN CCCOc1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cn1 ZINC000156679814 1423846653 /nfs/dbraw/zinc/84/66/53/1423846653.db2.gz MOWPZSYEAXYFAI-AWEZNQCLSA-N 0 1 378.494 3.133 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1CN(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156698079 1423849969 /nfs/dbraw/zinc/84/99/69/1423849969.db2.gz UVGWXCILUSFDLG-KRWDZBQOSA-N 0 1 383.492 3.020 20 0 GGADMN Cc1nc([C@@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccc(Cl)cc2)no1 ZINC000179988198 1429677211 /nfs/dbraw/zinc/67/72/11/1429677211.db2.gz JEABYPWDKJZARA-HNNXBMFYSA-N 0 1 399.806 3.378 20 0 GGADMN COc1ccc(-n2c(CN(C)C[C@H]3CCN(C(C)=O)C3)nc3ccccc32)cc1 ZINC000156709078 1423852436 /nfs/dbraw/zinc/85/24/36/1423852436.db2.gz NIVMCJBACOLVNL-GOSISDBHSA-N 0 1 392.503 3.334 20 0 GGADMN CCC[C@H](NCc1cnc2cnccn12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000156736855 1423856649 /nfs/dbraw/zinc/85/66/49/1423856649.db2.gz DBUDKUPNAUREPA-FQEVSTJZSA-N 0 1 392.507 3.227 20 0 GGADMN CCC[C@@H](NCc1cnc2cnccn12)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000156736994 1423856739 /nfs/dbraw/zinc/85/67/39/1423856739.db2.gz DBUDKUPNAUREPA-HXUWFJFHSA-N 0 1 392.507 3.227 20 0 GGADMN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC000156761635 1423860647 /nfs/dbraw/zinc/86/06/47/1423860647.db2.gz RXWVIGRNOUMEER-AVRDEDQJSA-N 0 1 395.503 3.175 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000156776514 1423862737 /nfs/dbraw/zinc/86/27/37/1423862737.db2.gz OCVJVQAALGTKII-FQEVSTJZSA-N 0 1 379.504 3.016 20 0 GGADMN CN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000156776727 1423862994 /nfs/dbraw/zinc/86/29/94/1423862994.db2.gz NIFBGEUBORBHTL-KRWDZBQOSA-N 0 1 375.538 3.011 20 0 GGADMN CCCCn1c([C@H](CC)N(C)C)nn(CN2CCC(OC(C)=O)CC2)c1=S ZINC000156874765 1423878631 /nfs/dbraw/zinc/87/86/31/1423878631.db2.gz NEXVCTMSKYMQGO-KRWDZBQOSA-N 0 1 397.589 3.212 20 0 GGADMN CC(C)Oc1cc(CNC(=O)c2ccc(CN3CCSCC3)cc2)ccn1 ZINC000156879644 1423879871 /nfs/dbraw/zinc/87/98/71/1423879871.db2.gz VNPSXLREPQAVFH-UHFFFAOYSA-N 0 1 385.533 3.348 20 0 GGADMN Cc1cc(OC[C@H](O)CN(CCO)Cc2cccnc2)c(C(C)C)cc1Cl ZINC000156887264 1423880894 /nfs/dbraw/zinc/88/08/94/1423880894.db2.gz CQSCZOCCZCTZJJ-GOSISDBHSA-N 0 1 392.927 3.401 20 0 GGADMN CCC(C)(C)[C@@H]1CCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000156907104 1423883507 /nfs/dbraw/zinc/88/35/07/1423883507.db2.gz KLOZOFAADKJJBR-INIZCTEOSA-N 0 1 376.892 3.155 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2cccc(Nc3cnccn3)c2)n1 ZINC000156907955 1423884346 /nfs/dbraw/zinc/88/43/46/1423884346.db2.gz YZDFWZGNMZKIJX-UHFFFAOYSA-N 0 1 387.403 3.266 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1c(C)cccc1F)c1ccsc1 ZINC000156922800 1423886493 /nfs/dbraw/zinc/88/64/93/1423886493.db2.gz LQIGWLFHRWTFAO-MRXNPFEDSA-N 0 1 377.485 3.333 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000156971643 1423895070 /nfs/dbraw/zinc/89/50/70/1423895070.db2.gz QBJWWQCRSZXVFO-DOTOQJQBSA-N 0 1 398.507 3.242 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000156970908 1423895264 /nfs/dbraw/zinc/89/52/64/1423895264.db2.gz OFUWDAHTVJBJBV-OXQOHEQNSA-N 0 1 392.503 3.263 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(Cl)c2)CN1Cc1ccccc1 ZINC000157004945 1423900868 /nfs/dbraw/zinc/90/08/68/1423900868.db2.gz TWLBVRDQBDTBQY-ACJLOTCBSA-N 0 1 389.858 3.197 20 0 GGADMN COC(=O)C[C@H]1CSCCN1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000157023918 1423904898 /nfs/dbraw/zinc/90/48/98/1423904898.db2.gz PKSFNMICFFWQHG-KRWDZBQOSA-N 0 1 381.501 3.482 20 0 GGADMN CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000735921354 1423907647 /nfs/dbraw/zinc/90/76/47/1423907647.db2.gz QABWDLZETSDBMP-CYBMUJFWSA-N 0 1 394.508 3.261 20 0 GGADMN Cc1cc(=O)oc2cc(OCCN3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc12 ZINC000157070116 1423916940 /nfs/dbraw/zinc/91/69/40/1423916940.db2.gz NGLDBZIGXQKSTK-OAHLLOKOSA-N 0 1 388.464 3.079 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000157085805 1423921494 /nfs/dbraw/zinc/92/14/94/1423921494.db2.gz MUXMEWCNGQKLLN-CABCVRRESA-N 0 1 388.489 3.459 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc(N2CCOC2=O)c1 ZINC000157085938 1423922056 /nfs/dbraw/zinc/92/20/56/1423922056.db2.gz MUXMEWCNGQKLLN-LSDHHAIUSA-N 0 1 388.489 3.459 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000157086079 1423922065 /nfs/dbraw/zinc/92/20/65/1423922065.db2.gz MUXMEWCNGQKLLN-HUUCEWRRSA-N 0 1 388.489 3.459 20 0 GGADMN O=C(Nc1cccnc1-c1ccccc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000157100421 1423925820 /nfs/dbraw/zinc/92/58/20/1423925820.db2.gz BVSSQNYTQCNMOG-SFHVURJKSA-N 0 1 380.492 3.325 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cccnc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000157116485 1423929416 /nfs/dbraw/zinc/92/94/16/1423929416.db2.gz RHLLFOUNOWYJNA-HXUWFJFHSA-N 0 1 381.524 3.142 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cccnc1-c1ccccc1)N1CCN(C)CC1 ZINC000157116485 1423929420 /nfs/dbraw/zinc/92/94/20/1423929420.db2.gz RHLLFOUNOWYJNA-HXUWFJFHSA-N 0 1 381.524 3.142 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000180002579 1429684163 /nfs/dbraw/zinc/68/41/63/1429684163.db2.gz SJGTZJWOHQYNKX-KUHUBIRLSA-N 0 1 379.460 3.036 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)c(-c2nnn[n-]2)c1C ZINC000826285411 1423938537 /nfs/dbraw/zinc/93/85/37/1423938537.db2.gz ZEFDLGMAXNBUAO-QGZVFWFLSA-N 0 1 394.479 3.469 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N3CCCc4ccccc43)ccc2NC1=O ZINC000180002623 1429684510 /nfs/dbraw/zinc/68/45/10/1429684510.db2.gz ZZGTZORDZINYRL-FOIQADDNSA-N 0 1 393.487 3.426 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822595701 1423944529 /nfs/dbraw/zinc/94/45/29/1423944529.db2.gz BOIRMLMDUJRPED-GOSISDBHSA-N 0 1 377.427 3.230 20 0 GGADMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822595701 1423944533 /nfs/dbraw/zinc/94/45/33/1423944533.db2.gz BOIRMLMDUJRPED-GOSISDBHSA-N 0 1 377.427 3.230 20 0 GGADMN C[C@H](OC[C@@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000157183191 1423947546 /nfs/dbraw/zinc/94/75/46/1423947546.db2.gz RRKZNBIRRPMNSZ-QGTPRVQTSA-N 0 1 398.931 3.378 20 0 GGADMN C[C@@H](OC[C@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000157183041 1423947861 /nfs/dbraw/zinc/94/78/61/1423947861.db2.gz RRKZNBIRRPMNSZ-ZTFGCOKTSA-N 0 1 398.931 3.378 20 0 GGADMN CN(C(=O)NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCCc2c1cnn2C ZINC000157188837 1423950205 /nfs/dbraw/zinc/95/02/05/1423950205.db2.gz UMRNCVANHZPAKZ-IEBWSBKVSA-N 0 1 385.512 3.259 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)n2)cc1 ZINC000157198464 1423953756 /nfs/dbraw/zinc/95/37/56/1423953756.db2.gz MDKIGRXILJTJCV-NVXWUHKLSA-N 0 1 396.520 3.178 20 0 GGADMN O=C(Nc1nc2ccc(Cl)cn2n1)c1ccc(CN2CCSCC2)cc1 ZINC000157203044 1423954425 /nfs/dbraw/zinc/95/44/25/1423954425.db2.gz JMZTUWXJAJUJHO-UHFFFAOYSA-N 0 1 387.896 3.184 20 0 GGADMN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821497023 1423964335 /nfs/dbraw/zinc/96/43/35/1423964335.db2.gz OPBGZCXWSDRUBH-CABCVRRESA-N 0 1 378.480 3.497 20 0 GGADMN Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)cc1 ZINC000826286342 1423967239 /nfs/dbraw/zinc/96/72/39/1423967239.db2.gz YZRNGZXOAQMQSB-OAHLLOKOSA-N 0 1 396.882 3.257 20 0 GGADMN O=C([C@H]1NCCc2ccccc21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000157254164 1423967902 /nfs/dbraw/zinc/96/79/02/1423967902.db2.gz NNNZHFXDQYJQNU-LEWJYISDSA-N 0 1 384.907 3.499 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000826231878 1429686999 /nfs/dbraw/zinc/68/69/99/1429686999.db2.gz JNCHREARYLEWFY-SECBINFHSA-N 0 1 392.797 3.088 20 0 GGADMN C[C@H](NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cnccn1 ZINC000157290057 1423975741 /nfs/dbraw/zinc/97/57/41/1423975741.db2.gz UNKSGIFIZWCEQF-GLJUWKHASA-N 0 1 378.879 3.382 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@](C)(c4ccccc4)C3)n[nH]2)cc1 ZINC000157290731 1423975821 /nfs/dbraw/zinc/97/58/21/1423975821.db2.gz MXIBWMYHNACEKG-QFIPXVFZSA-N 0 1 377.444 3.473 20 0 GGADMN COc1ccc([C@H](O)CNCc2c(Br)cc(OC)cc2OC)cc1 ZINC000157296657 1423977744 /nfs/dbraw/zinc/97/77/44/1423977744.db2.gz NDNSCTPSLDAWKC-QGZVFWFLSA-N 0 1 396.281 3.298 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](O)c2ccc(F)cc2)c(OC)c1 ZINC000157296454 1423977923 /nfs/dbraw/zinc/97/79/23/1423977923.db2.gz HERAARLJZKAZBP-MRXNPFEDSA-N 0 1 384.245 3.429 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(N(C)C)cc3F)cc2)C[C@H](C)O1 ZINC000157297713 1423978199 /nfs/dbraw/zinc/97/81/99/1423978199.db2.gz ABCAJKDSDGJODC-CALCHBBNSA-N 0 1 399.510 3.431 20 0 GGADMN O=C(Nc1nc2ccc(Cl)cn2n1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000157313455 1423981892 /nfs/dbraw/zinc/98/18/92/1423981892.db2.gz GPGXCLVMOHBOIE-UHFFFAOYSA-N 0 1 381.779 3.225 20 0 GGADMN CCc1ccc([C@@H](C)CC(=O)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000157315518 1423982545 /nfs/dbraw/zinc/98/25/45/1423982545.db2.gz IVOOHUIANSRRDA-SFHVURJKSA-N 0 1 380.536 3.206 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000157314892 1423982746 /nfs/dbraw/zinc/98/27/46/1423982746.db2.gz YHODOJIBJOFIBU-UHFFFAOYSA-N 0 1 398.576 3.413 20 0 GGADMN CCc1c(NC(=O)CCN2CCN(c3ccccc3)CC2)cnn1CC(C)C ZINC000157336860 1423987933 /nfs/dbraw/zinc/98/79/33/1423987933.db2.gz BVVBJANDUNUFMO-UHFFFAOYSA-N 0 1 383.540 3.252 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)C[C@@H]1C ZINC000157376131 1423998221 /nfs/dbraw/zinc/99/82/21/1423998221.db2.gz IMEJBGQXDBZPJJ-CALCHBBNSA-N 0 1 390.528 3.244 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)NCc3ccc(C)cc3)ccc2NC1=O ZINC000180010799 1429689662 /nfs/dbraw/zinc/68/96/62/1429689662.db2.gz GWMQOPNCVIWDCR-DNVCBOLYSA-N 0 1 381.476 3.072 20 0 GGADMN CC(C)C[NH+]1CCC(Nc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000735835962 1424005146 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VFPCFYBCKYFCPL-TXEJJXNPSA-N 0 1 383.422 3.060 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000157442238 1424011738 /nfs/dbraw/zinc/01/17/38/1424011738.db2.gz VAPPBSNUUDBKKN-SFHVURJKSA-N 0 1 375.476 3.004 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3cc(F)ccc3F)ccc2NC1=O ZINC000180011459 1429691028 /nfs/dbraw/zinc/69/10/28/1429691028.db2.gz CEIUTTTWLDDQEY-APPDUMDISA-N 0 1 389.402 3.364 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(F)c(F)c3)ccc2NC1=O ZINC000180013405 1429691511 /nfs/dbraw/zinc/69/15/11/1429691511.db2.gz AYVLYBYCTZSLBW-DIFFPNOSSA-N 0 1 389.402 3.364 20 0 GGADMN O=C(c1ccccc1Cl)N1CCC(NCc2nnc3n2CCCCC3)CC1 ZINC000157485435 1424021097 /nfs/dbraw/zinc/02/10/97/1424021097.db2.gz CMBQEEHEBNEYNQ-UHFFFAOYSA-N 0 1 387.915 3.052 20 0 GGADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000157507169 1424026105 /nfs/dbraw/zinc/02/61/05/1424026105.db2.gz ACZNMZKDKSYVGB-AWEZNQCLSA-N 0 1 384.448 3.058 20 0 GGADMN CCc1nn(C)c(CC)c1CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 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20 0 GGADMN COc1ccccc1C[C@@H](C)[N@@H+](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821890938 1429694486 /nfs/dbraw/zinc/69/44/86/1429694486.db2.gz SFTAOIUTIUFTTD-MRXNPFEDSA-N 0 1 381.480 3.207 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000821890938 1429694497 /nfs/dbraw/zinc/69/44/97/1429694497.db2.gz SFTAOIUTIUFTTD-MRXNPFEDSA-N 0 1 381.480 3.207 20 0 GGADMN COc1ccccc1C[C@@H](C)[N@@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000821890938 1429694501 /nfs/dbraw/zinc/69/45/01/1429694501.db2.gz SFTAOIUTIUFTTD-MRXNPFEDSA-N 0 1 381.480 3.207 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(C)Cc3ccccc3)ccc2NC1=O ZINC000180017671 1429694818 /nfs/dbraw/zinc/69/48/18/1429694818.db2.gz PYTKTGHIMXYWAW-BEFAXECRSA-N 0 1 381.476 3.105 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N(C)Cc3ccccc3)ccc2NC1=O ZINC000180017657 1429694906 /nfs/dbraw/zinc/69/49/06/1429694906.db2.gz PYTKTGHIMXYWAW-DNVCBOLYSA-N 0 1 381.476 3.105 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(=O)oc4cc([O-])ccc34)ccc2NC1=O 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383.492 3.319 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N3c4ccccc4C[C@@H]3C)ccc2NC1=O ZINC000180018483 1429695797 /nfs/dbraw/zinc/69/57/97/1429695797.db2.gz QLZLNRSGPLUPIY-MDOVXXIYSA-N 0 1 393.487 3.425 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CNC(C)(C)c2ccc(CC)cc2)n1 ZINC000157709767 1424070321 /nfs/dbraw/zinc/07/03/21/1424070321.db2.gz QWEKEYQPFZIJRC-UHFFFAOYSA-N 0 1 389.521 3.275 20 0 GGADMN O=C(NNc1ncc(F)cn1)C1(c2cccc(Br)c2)CCCC1 ZINC000157712328 1424071422 /nfs/dbraw/zinc/07/14/22/1424071422.db2.gz OZQCGCWZALNHPK-UHFFFAOYSA-N 0 1 379.233 3.333 20 0 GGADMN O=C(NN=c1ncc(F)c[nH]1)C1(c2cccc(Br)c2)CCCC1 ZINC000157712328 1424071427 /nfs/dbraw/zinc/07/14/27/1424071427.db2.gz OZQCGCWZALNHPK-UHFFFAOYSA-N 0 1 379.233 3.333 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@@H](C)[C@H]2C)CC1 ZINC000180018185 1429695916 /nfs/dbraw/zinc/69/59/16/1429695916.db2.gz XKEXLIWRBSYFLL-CABCVRRESA-N 0 1 380.920 3.123 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000157721890 1424073574 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C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000824763736 1424090653 /nfs/dbraw/zinc/09/06/53/1424090653.db2.gz OSEWGEKFDYXCNJ-HNNXBMFYSA-N 0 1 389.459 3.488 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)CCc3nnc(-c4ccsc4)o3)[nH]c21 ZINC000157807245 1424092030 /nfs/dbraw/zinc/09/20/30/1424092030.db2.gz NSKWZIZUFICGRA-UHFFFAOYSA-N 0 1 397.416 3.032 20 0 GGADMN COc1ccccc1[C@H]1CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000157806653 1424092244 /nfs/dbraw/zinc/09/22/44/1424092244.db2.gz GHXUFCRVJHLPJW-AVRDEDQJSA-N 0 1 398.478 3.224 20 0 GGADMN CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC000157808601 1424092600 /nfs/dbraw/zinc/09/26/00/1424092600.db2.gz UNGQUNDNEVJYEG-KRWDZBQOSA-N 0 1 378.432 3.285 20 0 GGADMN COc1ccccc1[C@H]1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000157813802 1424093992 /nfs/dbraw/zinc/09/39/92/1424093992.db2.gz LUXRPYHIVXMFDI-GJZGRUSLSA-N 0 1 385.439 3.360 20 0 GGADMN COc1ccc2c(c1)CCCN2C(=O)CN1CC[C@@H](c2ccccc2OC)C1 ZINC000157815811 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ZINC000158450040 1424258661 /nfs/dbraw/zinc/25/86/61/1424258661.db2.gz MVLNOQVFACFKRV-LJQANCHMSA-N 0 1 383.492 3.127 20 0 GGADMN CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000180046406 1429712148 /nfs/dbraw/zinc/71/21/48/1429712148.db2.gz VXJBDPKXRXEJHZ-LNLFQRSKSA-N 0 1 391.531 3.350 20 0 GGADMN CCC[C@H]1C[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000180046370 1429712172 /nfs/dbraw/zinc/71/21/72/1429712172.db2.gz VXJBDPKXRXEJHZ-SCTDSRPQSA-N 0 1 391.531 3.350 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000158508011 1424275606 /nfs/dbraw/zinc/27/56/06/1424275606.db2.gz UXJCWIUHWILZLG-UHFFFAOYSA-N 0 1 390.852 3.150 20 0 GGADMN CC[C@H](CNC(=O)c1cnn(C2CCOCC2)c1C)N1CCc2ccccc2C1 ZINC000158533770 1424282376 /nfs/dbraw/zinc/28/23/76/1424282376.db2.gz RSHPALCPFIMUMX-HXUWFJFHSA-N 0 1 396.535 3.110 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(CC(=O)N(C3CC3)C3CCCC3)C2)C1 ZINC000158539737 1424284593 /nfs/dbraw/zinc/28/45/93/1424284593.db2.gz KVPIKBZNFYTULR-QFIPXVFZSA-N 0 1 391.556 3.253 20 0 GGADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2nnc(C(F)F)n2c1 ZINC000158564569 1424290677 /nfs/dbraw/zinc/29/06/77/1424290677.db2.gz HENHSRBZVXIECL-INIZCTEOSA-N 0 1 385.418 3.061 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822559233 1424292517 /nfs/dbraw/zinc/29/25/17/1424292517.db2.gz YZJRTFYNIZMZSH-UHFFFAOYSA-N 0 1 384.509 3.394 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822559233 1424292524 /nfs/dbraw/zinc/29/25/24/1424292524.db2.gz YZJRTFYNIZMZSH-UHFFFAOYSA-N 0 1 384.509 3.394 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(Cc2ccccn2)CC1 ZINC000158576544 1424294421 /nfs/dbraw/zinc/29/44/21/1424294421.db2.gz YNNVSYSUIFPGTG-UHFFFAOYSA-N 0 1 386.406 3.245 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1cccs1 ZINC000158589992 1424296886 /nfs/dbraw/zinc/29/68/86/1424296886.db2.gz IVRVOBSVARYXQA-QGZVFWFLSA-N 0 1 387.549 3.443 20 0 GGADMN Cc1c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1CC(C)C ZINC000158591758 1424297360 /nfs/dbraw/zinc/29/73/60/1424297360.db2.gz WTEFWBSZOYLEQC-ROUUACIJSA-N 0 1 398.551 3.387 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)c1ccc(F)cc1F ZINC000158591045 1424297613 /nfs/dbraw/zinc/29/76/13/1424297613.db2.gz CBGHXNHYIBVORY-IRXDYDNUSA-N 0 1 395.475 3.013 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(F)cc1F ZINC000158591274 1424297660 /nfs/dbraw/zinc/29/76/60/1424297660.db2.gz CBGHXNHYIBVORY-DLBZAZTESA-N 0 1 395.475 3.013 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000158601531 1424299597 /nfs/dbraw/zinc/29/95/97/1424299597.db2.gz AYQYFSJIMKDISL-ZWKOTPCHSA-N 0 1 388.533 3.188 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CCc3nnc(C4CCCC4)o3)cc2)CC1 ZINC000158628361 1424304823 /nfs/dbraw/zinc/30/48/23/1424304823.db2.gz DFBSAWASYZUSEC-UHFFFAOYSA-N 0 1 383.496 3.050 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1csc(-c2ccoc2)n1 ZINC000158637894 1424307384 /nfs/dbraw/zinc/30/73/84/1424307384.db2.gz AMONSHWURQXZSE-FUHWJXTLSA-N 0 1 397.500 3.016 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158680927 1424316962 /nfs/dbraw/zinc/31/69/62/1424316962.db2.gz YDYJGXZBDSJMSJ-NQSCKRDGSA-N 0 1 384.495 3.004 20 0 GGADMN C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824427743 1424317933 /nfs/dbraw/zinc/31/79/33/1424317933.db2.gz NZHHEEQUHCGNOL-UONOGXRCSA-N 0 1 375.436 3.371 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000158686525 1424319384 /nfs/dbraw/zinc/31/93/84/1424319384.db2.gz OJJOFQSEEQGAPX-NZQKXSOJSA-N 0 1 391.515 3.100 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000158686525 1424319396 /nfs/dbraw/zinc/31/93/96/1424319396.db2.gz OJJOFQSEEQGAPX-NZQKXSOJSA-N 0 1 391.515 3.100 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(C(=O)c3ccco3)CC2)o1 ZINC000158685592 1424319616 /nfs/dbraw/zinc/31/96/16/1424319616.db2.gz OCVIHGIZNYLAQD-GOSISDBHSA-N 0 1 399.491 3.083 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN(CCCSCC(C)C)CC1 ZINC000158693142 1424321008 /nfs/dbraw/zinc/32/10/08/1424321008.db2.gz DMAQSCZVJVCTLI-UHFFFAOYSA-N 0 1 379.570 3.031 20 0 GGADMN CCN(CC)C(=O)COc1ccc(NC(=O)C2(N(C)C)CCC2)cc1Cl ZINC000158699049 1424322459 /nfs/dbraw/zinc/32/24/59/1424322459.db2.gz XNBUFHGTYRMKGT-UHFFFAOYSA-N 0 1 381.904 3.010 20 0 GGADMN Cc1cnccc1CCNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000158711498 1424324238 /nfs/dbraw/zinc/32/42/38/1424324238.db2.gz JSUIBZXLJFJPLT-KDURUIRLSA-N 0 1 396.535 3.041 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(OCC2CC2)cc1 ZINC000158711937 1424324358 /nfs/dbraw/zinc/32/43/58/1424324358.db2.gz YHAJORSASNZKTL-FYYLOGMGSA-N 0 1 394.515 3.088 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@H](O)COc3cccc4[nH]ccc43)n2)cc1 ZINC000158715696 1424325419 /nfs/dbraw/zinc/32/54/19/1424325419.db2.gz OQCPZORSOPPBHH-CQSZACIVSA-N 0 1 396.472 3.494 20 0 GGADMN CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000180056891 1429717681 /nfs/dbraw/zinc/71/76/81/1429717681.db2.gz MHVXHCSMXGSXHC-HNNXBMFYSA-N 0 1 390.509 3.038 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C[C@H](O)c3ccc(F)c(F)c3)C2)C1 ZINC000158720175 1424326655 /nfs/dbraw/zinc/32/66/55/1424326655.db2.gz QVBLSOAGKVWOFR-FXAWDEMLSA-N 0 1 382.451 3.331 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CC[S@@](=O)c3ccccc3)C2)C1 ZINC000158722590 1424326840 /nfs/dbraw/zinc/32/68/40/1424326840.db2.gz DAXBWCDOMUOVTK-IBVKSMDESA-N 0 1 378.538 3.127 20 0 GGADMN Cn1cnnc1Sc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000158719427 1424326995 /nfs/dbraw/zinc/32/69/95/1424326995.db2.gz GDSWBNLHJUSQNM-UHFFFAOYSA-N 0 1 377.433 3.004 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158729497 1424328988 /nfs/dbraw/zinc/32/89/88/1424328988.db2.gz CWOLKSSPCVRCBN-CWKRKGSWSA-N 0 1 378.516 3.098 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc2cccc(F)c2o1 ZINC000158729090 1424329519 /nfs/dbraw/zinc/32/95/19/1424329519.db2.gz OESDNRQNKNMLDD-PKOBYXMFSA-N 0 1 382.435 3.185 20 0 GGADMN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000158733497 1424330183 /nfs/dbraw/zinc/33/01/83/1424330183.db2.gz JZELFIVSQMFUOC-UHFFFAOYSA-N 0 1 375.432 3.350 20 0 GGADMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(F)c2ncccc12 ZINC000158741777 1424331849 /nfs/dbraw/zinc/33/18/49/1424331849.db2.gz LEWJSCOBTJMEKE-UHFFFAOYSA-N 0 1 395.362 3.411 20 0 GGADMN Cc1[nH]c2ccc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)cc2c1C ZINC000158743862 1424332507 /nfs/dbraw/zinc/33/25/07/1424332507.db2.gz JCYMKICQENVNTJ-NFBKMPQASA-N 0 1 391.515 3.398 20 0 GGADMN CCOc1cc(CN2CCC[C@@H](O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000158751279 1424333830 /nfs/dbraw/zinc/33/38/30/1424333830.db2.gz JPQDRDYGRWGKPR-LJQANCHMSA-N 0 1 392.540 3.066 20 0 GGADMN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000158761018 1424336418 /nfs/dbraw/zinc/33/64/18/1424336418.db2.gz GSJZWPYQUVFQNY-OAHLLOKOSA-N 0 1 379.420 3.116 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1-c1nnn[n-]1 ZINC000820160439 1424340371 /nfs/dbraw/zinc/34/03/71/1424340371.db2.gz JYYLQMSHTIMLOS-HNNXBMFYSA-N 0 1 398.511 3.247 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1-c1nn[n-]n1 ZINC000820160439 1424340376 /nfs/dbraw/zinc/34/03/76/1424340376.db2.gz JYYLQMSHTIMLOS-HNNXBMFYSA-N 0 1 398.511 3.247 20 0 GGADMN CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1-c1nn[n-]n1 ZINC000820160439 1424340383 /nfs/dbraw/zinc/34/03/83/1424340383.db2.gz JYYLQMSHTIMLOS-HNNXBMFYSA-N 0 1 398.511 3.247 20 0 GGADMN CC(C)c1cc(CN[C@@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)on1 ZINC000158781796 1424341017 /nfs/dbraw/zinc/34/10/17/1424341017.db2.gz SLIOAVQCKTYDLI-JXFKEZNVSA-N 0 1 387.480 3.314 20 0 GGADMN CCc1cnc(CN[C@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)s1 ZINC000158796130 1424344346 /nfs/dbraw/zinc/34/43/46/1424344346.db2.gz TWZBXHLOXJNBAM-QAPCUYQASA-N 0 1 389.521 3.221 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cc(NC(=O)CC)ccc2C)CCN1CCOC ZINC000158836591 1424354391 /nfs/dbraw/zinc/35/43/91/1424354391.db2.gz NUIPQBNJVJKGIF-GOSISDBHSA-N 0 1 390.528 3.308 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000158853211 1424356923 /nfs/dbraw/zinc/35/69/23/1424356923.db2.gz HEXYOPRFQRSVER-RDJZCZTQSA-N 0 1 385.895 3.366 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000158853069 1424357341 /nfs/dbraw/zinc/35/73/41/1424357341.db2.gz HEXYOPRFQRSVER-DOTOQJQBSA-N 0 1 385.895 3.366 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000158853360 1424357380 /nfs/dbraw/zinc/35/73/80/1424357380.db2.gz HEXYOPRFQRSVER-NVXWUHKLSA-N 0 1 385.895 3.366 20 0 GGADMN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824406870 1424359886 /nfs/dbraw/zinc/35/98/86/1424359886.db2.gz SABXACXYNNDQCS-STQMWFEESA-N 0 1 383.427 3.406 20 0 GGADMN CCC[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1nnc2ccccn21 ZINC000158864278 1424360172 /nfs/dbraw/zinc/36/01/72/1424360172.db2.gz ODCBDLMJPVWHLC-QZTJIDSGSA-N 0 1 398.486 3.312 20 0 GGADMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820300652 1424362617 /nfs/dbraw/zinc/36/26/17/1424362617.db2.gz SYMDECXJBSVISH-LBPRGKRZSA-N 0 1 389.406 3.237 20 0 GGADMN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820300652 1424362625 /nfs/dbraw/zinc/36/26/25/1424362625.db2.gz SYMDECXJBSVISH-LBPRGKRZSA-N 0 1 389.406 3.237 20 0 GGADMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820300652 1424362630 /nfs/dbraw/zinc/36/26/30/1424362630.db2.gz SYMDECXJBSVISH-LBPRGKRZSA-N 0 1 389.406 3.237 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(F)cc4[nH]cnc43)cc2Cl)CC1 ZINC000158888194 1424364375 /nfs/dbraw/zinc/36/43/75/1424364375.db2.gz LRUVHYAHYMEGQK-UHFFFAOYSA-N 0 1 387.846 3.360 20 0 GGADMN Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000158886892 1424364555 /nfs/dbraw/zinc/36/45/55/1424364555.db2.gz BALTVHMMTNMNFM-BGYRXZFFSA-N 0 1 387.487 3.209 20 0 GGADMN COc1cccc([C@H](C)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821859990 1424367087 /nfs/dbraw/zinc/36/70/87/1424367087.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@H](C)N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859990 1424367093 /nfs/dbraw/zinc/36/70/93/1424367093.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@H](C)N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859990 1424367102 /nfs/dbraw/zinc/36/71/02/1424367102.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@H](C)[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821859990 1424367112 /nfs/dbraw/zinc/36/71/12/1424367112.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@H](C)[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000821859990 1424367117 /nfs/dbraw/zinc/36/71/17/1424367117.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@H](C)[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859990 1424367124 /nfs/dbraw/zinc/36/71/24/1424367124.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN COc1cccc([C@H](C)[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821859990 1424367129 /nfs/dbraw/zinc/36/71/29/1424367129.db2.gz VNLSFGFHKGIIBZ-KRWDZBQOSA-N 0 1 392.507 3.144 20 0 GGADMN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000158915709 1424371485 /nfs/dbraw/zinc/37/14/85/1424371485.db2.gz VWUWQXFLLMTICS-IYBDPMFKSA-N 0 1 394.581 3.139 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(C(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000158915100 1424371886 /nfs/dbraw/zinc/37/18/86/1424371886.db2.gz XBGXSRSZHXNZHP-HUUCEWRRSA-N 0 1 394.581 3.193 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccn(CCc4ccncc4)n3)[nH]n2)cc1 ZINC000158927344 1424374780 /nfs/dbraw/zinc/37/47/80/1424374780.db2.gz UUYMDDYDIYYCSI-UHFFFAOYSA-N 0 1 388.431 3.172 20 0 GGADMN CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000735921355 1424378760 /nfs/dbraw/zinc/37/87/60/1424378760.db2.gz QABWDLZETSDBMP-ZDUSSCGKSA-N 0 1 394.508 3.261 20 0 GGADMN COc1cccc(C(=O)NCCN[C@@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180066271 1429722027 /nfs/dbraw/zinc/72/20/27/1429722027.db2.gz PCJBVBDSWBEJHK-ZDUSSCGKSA-N 0 1 386.883 3.316 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC(C[NH+]2CCCC2)CC1 ZINC000822773925 1429722068 /nfs/dbraw/zinc/72/20/68/1429722068.db2.gz ATJDFVQQQSRNPS-UHFFFAOYSA-N 0 1 399.449 3.005 20 0 GGADMN Oc1ccccc1N1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000158962258 1424382204 /nfs/dbraw/zinc/38/22/04/1424382204.db2.gz GBUUIWFSUPZGSI-KRWDZBQOSA-N 0 1 380.410 3.137 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc4[nH]cnc43)CC2)cc1F ZINC000158983603 1424387299 /nfs/dbraw/zinc/38/72/99/1424387299.db2.gz BIIAHKWADGLMOA-UHFFFAOYSA-N 0 1 394.450 3.179 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000159001645 1424391973 /nfs/dbraw/zinc/39/19/73/1424391973.db2.gz TYVHLQIOWLEIHD-FQEVSTJZSA-N 0 1 390.459 3.355 20 0 GGADMN CCCNC(=O)Nc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000159043832 1424403081 /nfs/dbraw/zinc/40/30/81/1424403081.db2.gz ICEQWMIPSUTCMW-QGZVFWFLSA-N 0 1 388.537 3.241 20 0 GGADMN O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@H]1Cc2ccccc2CN1 ZINC000159048123 1424404726 /nfs/dbraw/zinc/40/47/26/1424404726.db2.gz LOQIRAYYMBGYKM-HXUWFJFHSA-N 0 1 384.907 3.219 20 0 GGADMN CCCN1CCCC[C@@H]1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000159055182 1424406082 /nfs/dbraw/zinc/40/60/82/1424406082.db2.gz OMFLUNQCIQFOMC-MRXNPFEDSA-N 0 1 396.329 3.077 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000159072475 1424410427 /nfs/dbraw/zinc/41/04/27/1424410427.db2.gz CNZYETXBZVOMIF-NRFANRHFSA-N 0 1 399.510 3.473 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000159093143 1424415751 /nfs/dbraw/zinc/41/57/51/1424415751.db2.gz NUCIFNCAMAQNET-SFHVURJKSA-N 0 1 376.566 3.127 20 0 GGADMN Cc1csc(N2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000159100316 1424417499 /nfs/dbraw/zinc/41/74/99/1424417499.db2.gz CJAKLPVFLJMKHB-INIZCTEOSA-N 0 1 385.455 3.196 20 0 GGADMN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000159099466 1424417510 /nfs/dbraw/zinc/41/75/10/1424417510.db2.gz NEBDOMKTXLRFOG-OKILXGFUSA-N 0 1 378.904 3.227 20 0 GGADMN Cc1nc(CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)s1 ZINC000159112924 1424420150 /nfs/dbraw/zinc/42/01/50/1424420150.db2.gz WVVVHEZUEYBCBQ-CYBMUJFWSA-N 0 1 390.528 3.071 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000159131303 1424423967 /nfs/dbraw/zinc/42/39/67/1424423967.db2.gz AMBNNCABXBGVKM-GCJKJVERSA-N 0 1 396.535 3.420 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000159131446 1424424244 /nfs/dbraw/zinc/42/42/44/1424424244.db2.gz AMBNNCABXBGVKM-PGRDOPGGSA-N 0 1 396.535 3.420 20 0 GGADMN CCC[C@@H](NC(=O)[C@H](C)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000159131215 1424424338 /nfs/dbraw/zinc/42/43/38/1424424338.db2.gz QHYHTGNYHKBNFI-WMQCIHAUSA-N 0 1 398.551 3.212 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159133710 1424424948 /nfs/dbraw/zinc/42/49/48/1424424948.db2.gz KEKLLSMYSPWNAQ-LJQANCHMSA-N 0 1 385.855 3.498 20 0 GGADMN Cc1nccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)c1Cl ZINC000159167768 1424432696 /nfs/dbraw/zinc/43/26/96/1424432696.db2.gz POAQJNCYMKEWNL-UHFFFAOYSA-N 0 1 387.915 3.377 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)c1cccc(F)c1 ZINC000159172047 1424434386 /nfs/dbraw/zinc/43/43/86/1424434386.db2.gz PCJCELZIQSGSDE-QYZOEREBSA-N 0 1 389.471 3.319 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)N(C)C)c1 ZINC000159174766 1424435242 /nfs/dbraw/zinc/43/52/42/1424435242.db2.gz YLMMSRUCXFVDIL-ORYQWCPZSA-N 0 1 385.508 3.109 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)N(C)C)c1 ZINC000159174493 1424435488 /nfs/dbraw/zinc/43/54/88/1424435488.db2.gz YLMMSRUCXFVDIL-NDXORKPFSA-N 0 1 385.508 3.109 20 0 GGADMN CCOc1cc(CN2CCC(C(=O)OC)CC2)ccc1OCC(F)(F)F ZINC000159214737 1424445058 /nfs/dbraw/zinc/44/50/58/1424445058.db2.gz CDQHFHMCBBHCTH-UHFFFAOYSA-N 0 1 375.387 3.411 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2cc(F)cc(F)c2)cc1OC ZINC000159225265 1424451417 /nfs/dbraw/zinc/45/14/17/1424451417.db2.gz YNDWHXTYKFZHQR-CYBMUJFWSA-N 0 1 378.419 3.339 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)N1CCCCC1 ZINC000159229352 1424452309 /nfs/dbraw/zinc/45/23/09/1424452309.db2.gz FAQYAMNFHYNKIT-HLIPFELVSA-N 0 1 389.540 3.477 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1cc2ccccc2o1 ZINC000821598104 1424462754 /nfs/dbraw/zinc/46/27/54/1424462754.db2.gz QUQOGNLUGPOWII-UHFFFAOYSA-N 0 1 382.449 3.135 20 0 GGADMN C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569415 1424466411 /nfs/dbraw/zinc/46/64/11/1424466411.db2.gz HSLRAGSXQASVCV-ZDUSSCGKSA-N 0 1 397.454 3.405 20 0 GGADMN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825014888 1424466492 /nfs/dbraw/zinc/46/64/92/1424466492.db2.gz YFMPCJYCBKEIAO-YCRPNKLZSA-N 0 1 379.464 3.103 20 0 GGADMN O=C(CC[N@H+]1C[C@H]2CCC[C@H]21)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822965038 1424476171 /nfs/dbraw/zinc/47/61/71/1424476171.db2.gz XOGNIYGLPLMJPP-TZMCWYRMSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@@H+]1C[C@H]2CCC[C@H]21)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822965038 1424476173 /nfs/dbraw/zinc/47/61/73/1424476173.db2.gz XOGNIYGLPLMJPP-TZMCWYRMSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@H+]1C[C@H]2CCC[C@H]21)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822965038 1424476177 /nfs/dbraw/zinc/47/61/77/1424476177.db2.gz XOGNIYGLPLMJPP-TZMCWYRMSA-N 0 1 386.525 3.010 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCCc3ccccc3)ccc2NC1=O ZINC000159300377 1424477956 /nfs/dbraw/zinc/47/79/56/1424477956.db2.gz MWZUCZDCLBLNSQ-GUXCAODWSA-N 0 1 395.503 3.194 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(Cl)cc2cccnc21 ZINC000159300320 1424478168 /nfs/dbraw/zinc/47/81/68/1424478168.db2.gz XBSOSAVMEVLJMT-LJQANCHMSA-N 0 1 395.890 3.037 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000159322892 1424484830 /nfs/dbraw/zinc/48/48/30/1424484830.db2.gz GJTWXQPVUWIUHS-MOPGFXCFSA-N 0 1 380.423 3.339 20 0 GGADMN CCC(=O)N1CC[C@@H](C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)C1 ZINC000159338669 1424489307 /nfs/dbraw/zinc/48/93/07/1424489307.db2.gz JGFKAKROLVRJHL-MRXNPFEDSA-N 0 1 389.459 3.336 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824572905 1429730608 /nfs/dbraw/zinc/73/06/08/1429730608.db2.gz XYXIRRONWWTZIS-MEDUHNTESA-N 0 1 377.370 3.270 20 0 GGADMN O=C(NNc1ccc(Br)cc1F)c1cccc(-c2nnc[nH]2)c1 ZINC000159433723 1424502271 /nfs/dbraw/zinc/50/22/71/1424502271.db2.gz UPQAVSCNCWAHLH-UHFFFAOYSA-N 0 1 376.189 3.130 20 0 GGADMN C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613641 1429731785 /nfs/dbraw/zinc/73/17/85/1429731785.db2.gz WMUKEYQXZOMLRT-HNNXBMFYSA-N 0 1 378.263 3.339 20 0 GGADMN C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613641 1429731788 /nfs/dbraw/zinc/73/17/88/1429731788.db2.gz WMUKEYQXZOMLRT-HNNXBMFYSA-N 0 1 378.263 3.339 20 0 GGADMN Cc1c(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cnn1C(C)C ZINC000180089843 1429732076 /nfs/dbraw/zinc/73/20/76/1429732076.db2.gz OUHOJLSWOKNHMO-OAHLLOKOSA-N 0 1 387.503 3.154 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159634508 1424519339 /nfs/dbraw/zinc/51/93/39/1424519339.db2.gz ZXFOIJHJQQDCAW-YWZLYKJASA-N 0 1 399.466 3.109 20 0 GGADMN N#Cc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1Cl ZINC000159650801 1424521270 /nfs/dbraw/zinc/52/12/70/1424521270.db2.gz BDEQCJJOYLGTMX-UHFFFAOYSA-N 0 1 384.642 3.110 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159732492 1424529064 /nfs/dbraw/zinc/52/90/64/1424529064.db2.gz WPQOXOKZLMZTDQ-UWJYYQICSA-N 0 1 395.503 3.279 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159732622 1424529492 /nfs/dbraw/zinc/52/94/92/1424529492.db2.gz WPQOXOKZLMZTDQ-UTKZUKDTSA-N 0 1 395.503 3.279 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001139088976 1424546475 /nfs/dbraw/zinc/54/64/75/1424546475.db2.gz HLAYHWNOEGFGSN-OAQYLSRUSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001139088976 1424546480 /nfs/dbraw/zinc/54/64/80/1424546480.db2.gz HLAYHWNOEGFGSN-OAQYLSRUSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001139088976 1424546486 /nfs/dbraw/zinc/54/64/86/1424546486.db2.gz HLAYHWNOEGFGSN-OAQYLSRUSA-N 0 1 398.511 3.090 20 0 GGADMN COc1cc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc(OC)c1OC ZINC000159935363 1424554234 /nfs/dbraw/zinc/55/42/34/1424554234.db2.gz NLOGMIKQCMZUPW-IBGZPJMESA-N 0 1 398.503 3.036 20 0 GGADMN C[C@H](NC1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)sc1Cl ZINC000159937454 1424554445 /nfs/dbraw/zinc/55/44/45/1424554445.db2.gz ZNVNDLZJJOHODW-JTQLQIEISA-N 0 1 385.382 3.215 20 0 GGADMN COc1ccc(CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)c(OC)c1OC ZINC000159938875 1424554592 /nfs/dbraw/zinc/55/45/92/1424554592.db2.gz LEPFLOHJJRYNMF-LJQANCHMSA-N 0 1 398.503 3.036 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000159939956 1424554810 /nfs/dbraw/zinc/55/48/10/1424554810.db2.gz ULJAITPDCFBHEA-LJQANCHMSA-N 0 1 398.503 3.036 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccnn1CC1CC1 ZINC000160008275 1424562637 /nfs/dbraw/zinc/56/26/37/1424562637.db2.gz APADKJSDEYBQOF-UHFFFAOYSA-N 0 1 398.511 3.088 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000826182521 1424579034 /nfs/dbraw/zinc/57/90/34/1424579034.db2.gz MLHIHXMDNRYIAH-MRXNPFEDSA-N 0 1 385.493 3.118 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000826182521 1424579043 /nfs/dbraw/zinc/57/90/43/1424579043.db2.gz MLHIHXMDNRYIAH-MRXNPFEDSA-N 0 1 385.493 3.118 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)C(=O)NC[C@@H]2CCCO2)ccc1OCC(C)C ZINC000180099218 1429737434 /nfs/dbraw/zinc/73/74/34/1429737434.db2.gz NIWVUPSXIJUUAV-BQFCYCMXSA-N 0 1 378.513 3.064 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1ccnn1CC1CC1)N1CCCC1 ZINC000160268246 1424591257 /nfs/dbraw/zinc/59/12/57/1424591257.db2.gz RDWBRMANOWKFCB-SFHVURJKSA-N 0 1 383.496 3.260 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000826192861 1424592188 /nfs/dbraw/zinc/59/21/88/1424592188.db2.gz FZELNQHSICKYNV-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN COc1ccc(C(F)(F)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000160374436 1424598953 /nfs/dbraw/zinc/59/89/53/1424598953.db2.gz VBLGWACXKORPMR-GOSISDBHSA-N 0 1 378.419 3.215 20 0 GGADMN O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1cccc(Br)c1 ZINC000160368138 1424599218 /nfs/dbraw/zinc/59/92/18/1424599218.db2.gz AEWJBPDYVMOCHX-UHFFFAOYSA-N 0 1 384.617 3.275 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3nc(C4CC4)n(-c4ccccc4)n3)n2)o1 ZINC000160407067 1424602227 /nfs/dbraw/zinc/60/22/27/1424602227.db2.gz XFSNLQBTVYDSRM-UHFFFAOYSA-N 0 1 375.392 3.084 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccnc(Cl)c1 ZINC000160430919 1424603228 /nfs/dbraw/zinc/60/32/28/1424603228.db2.gz AKIYVUSVJAHOCT-AWEZNQCLSA-N 0 1 379.913 3.370 20 0 GGADMN Brc1ccc(-c2ccn(CN3CCC(C4OCCO4)CC3)n2)cc1 ZINC000160434135 1424603946 /nfs/dbraw/zinc/60/39/46/1424603946.db2.gz ZGKDTUOZMMKION-UHFFFAOYSA-N 0 1 392.297 3.355 20 0 GGADMN O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160735141 1424630525 /nfs/dbraw/zinc/63/05/25/1424630525.db2.gz GPGOYSUIOWCVJO-MRXNPFEDSA-N 0 1 383.473 3.346 20 0 GGADMN O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160735141 1424630532 /nfs/dbraw/zinc/63/05/32/1424630532.db2.gz GPGOYSUIOWCVJO-MRXNPFEDSA-N 0 1 383.473 3.346 20 0 GGADMN CC/C(=C/C(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1 ZINC000160758796 1424632798 /nfs/dbraw/zinc/63/27/98/1424632798.db2.gz IHOODFDYUDDZEM-SILNSSARSA-N 0 1 378.520 3.252 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000160914806 1424644125 /nfs/dbraw/zinc/64/41/25/1424644125.db2.gz DOLYCORDYWBUNS-UHFFFAOYSA-N 0 1 398.431 3.397 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H](C)c2sc(-c3cccnc3)nc2C)cc1 ZINC000160990617 1424650481 /nfs/dbraw/zinc/65/04/81/1424650481.db2.gz VYUGVCWYCWVXIF-CQSZACIVSA-N 0 1 396.516 3.489 20 0 GGADMN O=S(=O)(Nc1cnc(Br)c(Br)c1)c1ccccc1 ZINC000161026907 1424653076 /nfs/dbraw/zinc/65/30/76/1424653076.db2.gz OFKBSILPXKWPOJ-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN COc1ccc(CN(C)Cc2ccc(Cl)c(Cl)c2)cc1OCC(N)=O ZINC000161139298 1424661276 /nfs/dbraw/zinc/66/12/76/1424661276.db2.gz OCOGYZLIEXYUTG-UHFFFAOYSA-N 0 1 383.275 3.498 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000826183213 1424661421 /nfs/dbraw/zinc/66/14/21/1424661421.db2.gz ICYNTZVSQJIPTJ-SFHVURJKSA-N 0 1 395.438 3.252 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C[C@@H]1C ZINC000161161941 1424663884 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COc1ccc(CC[C@H]2CCCCN2CCCCS(C)(=O)=O)cc1OC ZINC000162322768 1424837678 /nfs/dbraw/zinc/83/76/78/1424837678.db2.gz HPYXLEIHBKOAAN-GOSISDBHSA-N 0 1 383.554 3.316 20 0 GGADMN COc1ccccc1OC[C@@H](C)CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000162322322 1424837716 /nfs/dbraw/zinc/83/77/16/1424837716.db2.gz YOJAMVVPRSKXBJ-YCRPNKLZSA-N 0 1 386.467 3.459 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)[nH]n2)c1 ZINC000162335553 1424839042 /nfs/dbraw/zinc/83/90/42/1424839042.db2.gz PJFBDTHSXPDWEZ-UHFFFAOYSA-N 0 1 396.422 3.313 20 0 GGADMN Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(N(C)C)n1 ZINC000162368420 1424842802 /nfs/dbraw/zinc/84/28/02/1424842802.db2.gz SHVMEYFWUHKCOU-UHFFFAOYSA-N 0 1 392.507 3.068 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)CC(C)C ZINC000736470578 1424844275 /nfs/dbraw/zinc/84/42/75/1424844275.db2.gz LJUHQKFLMDFSPJ-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)CC(C)C ZINC000736470578 1424844281 /nfs/dbraw/zinc/84/42/81/1424844281.db2.gz LJUHQKFLMDFSPJ-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)CC(C)C ZINC000736470578 1424844287 /nfs/dbraw/zinc/84/42/87/1424844287.db2.gz LJUHQKFLMDFSPJ-UHFFFAOYSA-N 0 1 376.530 3.114 20 0 GGADMN COc1c(CN[C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)nn1C ZINC000162383609 1424844557 /nfs/dbraw/zinc/84/45/57/1424844557.db2.gz WKENBEUBQWFCDU-NSHDSACASA-N 0 1 384.402 3.263 20 0 GGADMN Cc1cccc2c(NCc3coc(-c4ccccc4)n3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822334916 1429757429 /nfs/dbraw/zinc/75/74/29/1429757429.db2.gz HVLKUBORNHZBIZ-UHFFFAOYSA-N 0 1 383.415 3.412 20 0 GGADMN Cc1ccc(C)c(Sc2ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc2)c1 ZINC000162395880 1424846389 /nfs/dbraw/zinc/84/63/89/1424846389.db2.gz YEFPRRVTARBYFE-KRWDZBQOSA-N 0 1 392.546 3.155 20 0 GGADMN Cn1cnnc1-c1cncc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1 ZINC000162400997 1424847118 /nfs/dbraw/zinc/84/71/18/1424847118.db2.gz RSOVJLCTWYCBJW-UHFFFAOYSA-N 0 1 379.811 3.173 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000162418084 1424849223 /nfs/dbraw/zinc/84/92/23/1424849223.db2.gz JPTSSYGQCNZNFG-UHFFFAOYSA-N 0 1 380.423 3.089 20 0 GGADMN COc1cccc([C@@H](O)C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 ZINC000162429827 1424850605 /nfs/dbraw/zinc/85/06/05/1424850605.db2.gz JAMFLIRTELNWEA-HXUWFJFHSA-N 0 1 386.517 3.225 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@@]3(CCOC3)C2)N2CCCCC2)cc1 ZINC000162434233 1424851193 /nfs/dbraw/zinc/85/11/93/1424851193.db2.gz PJLFIEXSFSIJQH-RBBKRZOGSA-N 0 1 387.524 3.044 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCCN(C(=O)c4ccsc4)CC3)c[nH]c12 ZINC000162450808 1424853540 /nfs/dbraw/zinc/85/35/40/1424853540.db2.gz GXLJFDOUFQIWEL-UHFFFAOYSA-N 0 1 395.484 3.299 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CNCc2nc3cc(Cl)ccc3n2C)c1 ZINC000162454385 1424854235 /nfs/dbraw/zinc/85/42/35/1424854235.db2.gz NXTBXVJMMISGFB-KRWDZBQOSA-N 0 1 375.856 3.067 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(-c4csc(C)n4)c[nH]3)[nH]c21 ZINC000162504278 1424859738 /nfs/dbraw/zinc/85/97/38/1424859738.db2.gz BCNJQUNNOBDXMP-UHFFFAOYSA-N 0 1 381.417 3.362 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)[nH]c21 ZINC000162525411 1424861839 /nfs/dbraw/zinc/86/18/39/1424861839.db2.gz QLVYPWHWVBEGAB-UHFFFAOYSA-N 0 1 397.341 3.270 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)n[nH]1 ZINC000162528212 1424862413 /nfs/dbraw/zinc/86/24/13/1424862413.db2.gz UNKHEAWXJVFHAP-UHFFFAOYSA-N 0 1 381.358 3.225 20 0 GGADMN CC(=O)c1ccccc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000162527056 1424862557 /nfs/dbraw/zinc/86/25/57/1424862557.db2.gz NYTKPSHGAISSAN-HNNXBMFYSA-N 0 1 383.467 3.271 20 0 GGADMN c1nc(N2CCOCC2)sc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000162531692 1424863091 /nfs/dbraw/zinc/86/30/91/1424863091.db2.gz IFYVSBGYQJMDHA-KRWDZBQOSA-N 0 1 387.505 3.088 20 0 GGADMN CC(C)(C)OC1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000162535029 1424863581 /nfs/dbraw/zinc/86/35/81/1424863581.db2.gz WFMQJMBVASCWTC-UHFFFAOYSA-N 0 1 393.959 3.268 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC(OC(C)(C)C)CC1 ZINC000162536229 1424863675 /nfs/dbraw/zinc/86/36/75/1424863675.db2.gz UBKOVRLNDSNURJ-UHFFFAOYSA-N 0 1 392.540 3.332 20 0 GGADMN CN(C[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1)C(=O)OC(C)(C)C ZINC000162547447 1424865096 /nfs/dbraw/zinc/86/50/96/1424865096.db2.gz ZWVOSGIRDGQOBU-OAHLLOKOSA-N 0 1 399.495 3.191 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@@H]2C(C)(C)O)c1 ZINC000162547739 1424865103 /nfs/dbraw/zinc/86/51/03/1424865103.db2.gz NPAWGKUIIBRJSU-HXUWFJFHSA-N 0 1 395.503 3.421 20 0 GGADMN C[C@H]([NH2+]CCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(-n2ccnc2)c1 ZINC000824591123 1424865267 /nfs/dbraw/zinc/86/52/67/1424865267.db2.gz HMOGBFBXQMPPJV-INIZCTEOSA-N 0 1 389.463 3.172 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@@H]2C(C)(C)O)cs1 ZINC000162570885 1424867143 /nfs/dbraw/zinc/86/71/43/1424867143.db2.gz MJHWCTFVNYEKTI-LJQANCHMSA-N 0 1 385.533 3.243 20 0 GGADMN Cc1ccccc1NC(=O)C(=O)NNC(=O)c1sc2ccccc2c1Cl ZINC000162576473 1424868129 /nfs/dbraw/zinc/86/81/29/1424868129.db2.gz KSTXURVKXIRGHL-UHFFFAOYSA-N 0 1 387.848 3.263 20 0 GGADMN CC(C)(O)[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000162576523 1424868288 /nfs/dbraw/zinc/86/82/88/1424868288.db2.gz WVSJNYYHWPSCID-MAUKXSAKSA-N 0 1 387.505 3.254 20 0 GGADMN COc1ccc(CCNC(=O)[C@@H](C)N2CCC(OC(C)(C)C)CC2)cc1OC ZINC000162607073 1424871273 /nfs/dbraw/zinc/87/12/73/1424871273.db2.gz OMGSEFLJHFEWFI-MRXNPFEDSA-N 0 1 392.540 3.031 20 0 GGADMN COc1ccc(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)cc1-c1ccccn1 ZINC000162611684 1424872020 /nfs/dbraw/zinc/87/20/20/1424872020.db2.gz BVXFTTIVWVHHNK-SFHVURJKSA-N 0 1 384.476 3.271 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN[C@@H](C)[C@@H]2CCOC2)cs1 ZINC000162645489 1424875015 /nfs/dbraw/zinc/87/50/15/1424875015.db2.gz FSMOCCXRGLWGEO-DZGCQCFKSA-N 0 1 375.494 3.351 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN[C@H](C)[C@H]2CCOC2)cs1 ZINC000162645903 1424875171 /nfs/dbraw/zinc/87/51/71/1424875171.db2.gz FSMOCCXRGLWGEO-HIFRSBDPSA-N 0 1 375.494 3.351 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)cn2)n1 ZINC000162769355 1424889144 /nfs/dbraw/zinc/88/91/44/1424889144.db2.gz JZIQCVODTXWKQI-MRXNPFEDSA-N 0 1 384.505 3.138 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cn2)n1 ZINC000162769231 1424889173 /nfs/dbraw/zinc/88/91/73/1424889173.db2.gz JZIQCVODTXWKQI-INIZCTEOSA-N 0 1 384.505 3.138 20 0 GGADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000162773615 1424889772 /nfs/dbraw/zinc/88/97/72/1424889772.db2.gz SKPJDFCCLWXYBZ-HXUWFJFHSA-N 0 1 392.459 3.302 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000162794411 1424891064 /nfs/dbraw/zinc/89/10/64/1424891064.db2.gz SKOBKNVKNSDKGT-UHFFFAOYSA-N 0 1 391.456 3.104 20 0 GGADMN Brc1ccsc1CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21 ZINC000819688070 1424892079 /nfs/dbraw/zinc/89/20/79/1424892079.db2.gz CORGGCIDIZKSFN-UHFFFAOYSA-N 0 1 387.266 3.273 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000162824570 1424893813 /nfs/dbraw/zinc/89/38/13/1424893813.db2.gz AVOVGGXEBSLNNX-OFNKIYASSA-N 0 1 395.503 3.300 20 0 GGADMN C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000162825612 1424893899 /nfs/dbraw/zinc/89/38/99/1424893899.db2.gz NJVNQTPJBUMIGD-IEBWSBKVSA-N 0 1 399.491 3.238 20 0 GGADMN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000162825231 1424893918 /nfs/dbraw/zinc/89/39/18/1424893918.db2.gz NJVNQTPJBUMIGD-HKUYNNGSSA-N 0 1 399.491 3.238 20 0 GGADMN CC(C)CN1N=C(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CCC1=O ZINC000162830544 1424894376 /nfs/dbraw/zinc/89/43/76/1424894376.db2.gz JKVXSMUEDJXGSA-UHFFFAOYSA-N 0 1 379.420 3.396 20 0 GGADMN CCOc1cc(CNc2ccc(N3CCN(C)CC3)nc2)ccc1OC(F)F ZINC000162876418 1424898594 /nfs/dbraw/zinc/89/85/94/1424898594.db2.gz LLPVOEKSPKHGDY-UHFFFAOYSA-N 0 1 392.450 3.446 20 0 GGADMN CCOc1c(CNc2ccc(N3CCN(C)CC3)nc2)c(C)nn1CC(C)C ZINC000162876817 1424898635 /nfs/dbraw/zinc/89/86/35/1424898635.db2.gz GSUFTCTXYRFFMM-UHFFFAOYSA-N 0 1 386.544 3.005 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1cn(C)c(=O)cc1C)N1CCCCC1 ZINC000162881944 1424899354 /nfs/dbraw/zinc/89/93/54/1424899354.db2.gz WYEFCIUYEDSVSW-IBGZPJMESA-N 0 1 398.507 3.051 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)N2CCCC2)o1 ZINC000162887901 1424899655 /nfs/dbraw/zinc/89/96/55/1424899655.db2.gz FUEBZYSNBGODKA-OAHLLOKOSA-N 0 1 397.397 3.491 20 0 GGADMN CC(=O)N[C@@H](CC(=O)OC[C@H]1CCCN1Cc1ccco1)c1ccc(C)cc1 ZINC000162905848 1424903614 /nfs/dbraw/zinc/90/36/14/1424903614.db2.gz YJUYABXHBYJSGV-CTNGQTDRSA-N 0 1 384.476 3.363 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1cccc(F)c1F ZINC000162906626 1424903782 /nfs/dbraw/zinc/90/37/82/1424903782.db2.gz PWFGILHRYILBKP-LLVKDONJSA-N 0 1 376.407 3.008 20 0 GGADMN O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162912785 1424904449 /nfs/dbraw/zinc/90/44/49/1424904449.db2.gz VHSOQDMXZUZHCG-MRXNPFEDSA-N 0 1 378.480 3.295 20 0 GGADMN CN1CCN(c2ccc(NCc3cnn(-c4ccc(Cl)cc4)c3)cn2)CC1 ZINC000162913747 1424904536 /nfs/dbraw/zinc/90/45/36/1424904536.db2.gz QERSAMWDODNZMN-UHFFFAOYSA-N 0 1 382.899 3.285 20 0 GGADMN CN1CCN(c2ccc(NCc3ccc(OCC(F)(F)F)cc3)cn2)CC1 ZINC000162920624 1424906208 /nfs/dbraw/zinc/90/62/08/1424906208.db2.gz ITGVFWCUGMIYGF-UHFFFAOYSA-N 0 1 380.414 3.387 20 0 GGADMN CN1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826021704 1424906346 /nfs/dbraw/zinc/90/63/46/1424906346.db2.gz DMADQMSWOJTJOS-YVEFUNNKSA-N 0 1 390.850 3.035 20 0 GGADMN CC[C@H](NCc1ccc(S(=O)(=O)NCCOC)cc1)c1cc(F)ccc1F ZINC000162920641 1424906481 /nfs/dbraw/zinc/90/64/81/1424906481.db2.gz YQYMLZIKDRFKEQ-IBGZPJMESA-N 0 1 398.475 3.130 20 0 GGADMN C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000162921503 1424906564 /nfs/dbraw/zinc/90/65/64/1424906564.db2.gz BSJGBECKBFMZBQ-SJLPKXTDSA-N 0 1 386.448 3.102 20 0 GGADMN CCc1nc2ccccc2n1CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825750017 1424906714 /nfs/dbraw/zinc/90/67/14/1424906714.db2.gz IJSVKGASHHLIBB-SFHVURJKSA-N 0 1 387.491 3.446 20 0 GGADMN COc1ccc(OC(F)F)c(CNc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000162927647 1424907205 /nfs/dbraw/zinc/90/72/05/1424907205.db2.gz PNHOWFADOBKPOV-UHFFFAOYSA-N 0 1 378.423 3.056 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162925005 1424907536 /nfs/dbraw/zinc/90/75/36/1424907536.db2.gz DRZAZRUACGDJFR-DLBZAZTESA-N 0 1 398.511 3.001 20 0 GGADMN CN(CCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000162930183 1424907894 /nfs/dbraw/zinc/90/78/94/1424907894.db2.gz UJHZICBAMIIJTN-QGZVFWFLSA-N 0 1 382.512 3.098 20 0 GGADMN CN(C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCSC1 ZINC000162931396 1424908381 /nfs/dbraw/zinc/90/83/81/1424908381.db2.gz KSMHWHQDGDPNDP-AWEZNQCLSA-N 0 1 391.562 3.210 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)NCc1nc(C2CC2)cs1 ZINC000162934666 1424909034 /nfs/dbraw/zinc/90/90/34/1424909034.db2.gz UZLYAKKRZSZKJA-UHFFFAOYSA-N 0 1 399.564 3.032 20 0 GGADMN O=C(NCCCn1cnc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162941689 1424909684 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399.886 3.072 20 0 GGADMN O=C(Nc1ccccc1C[NH+]1CCSCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000162965349 1424914036 /nfs/dbraw/zinc/91/40/36/1424914036.db2.gz YRZKUVQBTQQFRC-UHFFFAOYSA-N 0 1 394.500 3.379 20 0 GGADMN CC[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000825139152 1424914886 /nfs/dbraw/zinc/91/48/86/1424914886.db2.gz CJHXWULUJJDWJO-QGZVFWFLSA-N 0 1 383.452 3.004 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(OC)c(-c3nnn[n-]3)c1)CCC2 ZINC000825749686 1424915510 /nfs/dbraw/zinc/91/55/10/1424915510.db2.gz GBFSXPYXELJOIE-HNNXBMFYSA-N 0 1 384.509 3.404 20 0 GGADMN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000162978880 1424916532 /nfs/dbraw/zinc/91/65/32/1424916532.db2.gz OEHVQAMYPJFCAN-KRWDZBQOSA-N 0 1 397.527 3.013 20 0 GGADMN CCOCc1ccccc1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162984554 1424917952 /nfs/dbraw/zinc/91/79/52/1424917952.db2.gz JUUYCSOGRUHPGG-KRWDZBQOSA-N 0 1 383.496 3.308 20 0 GGADMN 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GGADMN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163278436 1424972398 /nfs/dbraw/zinc/97/23/98/1424972398.db2.gz UMEZXSJCBYYCJH-WZGPROSRSA-N 0 1 377.492 3.300 20 0 GGADMN CC(C)OC1CCC(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000163286451 1424973621 /nfs/dbraw/zinc/97/36/21/1424973621.db2.gz CHFAUECGMFWGSH-GTPINHCMSA-N 0 1 375.517 3.307 20 0 GGADMN COc1ccc(C[C@@H](C)CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000163297182 1424975399 /nfs/dbraw/zinc/97/53/99/1424975399.db2.gz LXIYIKPTQMPLLE-QAPCUYQASA-N 0 1 397.523 3.459 20 0 GGADMN COc1ccc(C[C@H](C)CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000163297070 1424975615 /nfs/dbraw/zinc/97/56/15/1424975615.db2.gz LXIYIKPTQMPLLE-YJBOKZPZSA-N 0 1 397.523 3.459 20 0 GGADMN O=C(Nc1ccccc1CN1CCSCC1)C(=O)N(C1CC1)C1CCCC1 ZINC000163311327 1424977281 /nfs/dbraw/zinc/97/72/81/1424977281.db2.gz DRNDTHQROPILTK-UHFFFAOYSA-N 0 1 387.549 3.108 20 0 GGADMN O=C(NCCc1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163360886 1424984437 /nfs/dbraw/zinc/98/44/37/1424984437.db2.gz OINDVFKVVLCSEH-CYBMUJFWSA-N 0 1 393.413 3.231 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2csc(S(C)(=O)=O)c2)[nH]1 ZINC000163453205 1425001966 /nfs/dbraw/zinc/00/19/66/1425001966.db2.gz HKGZXPVSRFWZPH-UHFFFAOYSA-N 0 1 390.490 3.312 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000163491097 1425007165 /nfs/dbraw/zinc/00/71/65/1425007165.db2.gz KDBKLLYXDSJGDQ-RYUDHWBXSA-N 0 1 382.432 3.046 20 0 GGADMN CCS(=O)(=O)CCN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000163493808 1425007671 /nfs/dbraw/zinc/00/76/71/1425007671.db2.gz YPQHEDSLBCUUCA-QGZVFWFLSA-N 0 1 397.338 3.152 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)c3ccc4c(=O)[nH]c(=S)[nH]c4c3)c2)n1 ZINC000163502019 1425008458 /nfs/dbraw/zinc/00/84/58/1425008458.db2.gz CEEMGQWVEFKSIH-UHFFFAOYSA-N 0 1 378.413 3.428 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000163518033 1425010713 /nfs/dbraw/zinc/01/07/13/1425010713.db2.gz XEHXLKRRXVYFBP-NWDGAFQWSA-N 0 1 375.429 3.087 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000163518268 1425010776 /nfs/dbraw/zinc/01/07/76/1425010776.db2.gz XEHXLKRRXVYFBP-VXGBXAGGSA-N 0 1 375.429 3.087 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]2CCCO2)cc1 ZINC000822236105 1425011100 /nfs/dbraw/zinc/01/11/00/1425011100.db2.gz KDSXSTNDJUOPDE-NRFANRHFSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1ccc(CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]2CCCO2)cc1 ZINC000822236105 1425011105 /nfs/dbraw/zinc/01/11/05/1425011105.db2.gz KDSXSTNDJUOPDE-NRFANRHFSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]2CCCO2)cc1 ZINC000822236105 1425011111 /nfs/dbraw/zinc/01/11/11/1425011111.db2.gz KDSXSTNDJUOPDE-NRFANRHFSA-N 0 1 377.492 3.399 20 0 GGADMN O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163542288 1425014376 /nfs/dbraw/zinc/01/43/76/1425014376.db2.gz CUMCWJRDANZGCI-HOTGVXAUSA-N 0 1 397.479 3.261 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)c[nH]c12 ZINC000163548773 1425015801 /nfs/dbraw/zinc/01/58/01/1425015801.db2.gz VRDPPCYVOXPVTQ-HNNXBMFYSA-N 0 1 383.492 3.263 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cc(F)ccc2OC(F)F)CCN1CCOC ZINC000163554813 1425016767 /nfs/dbraw/zinc/01/67/67/1425016767.db2.gz ABSDGRCBVCSYJW-AWEZNQCLSA-N 0 1 389.418 3.392 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cc(F)ccc2OC(F)F)CCN1CCOC ZINC000163554691 1425016829 /nfs/dbraw/zinc/01/68/29/1425016829.db2.gz ABSDGRCBVCSYJW-CQSZACIVSA-N 0 1 389.418 3.392 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CCCN(c3ccccc3-c3nnn[n-]3)CC1)CC2 ZINC000822783004 1425020494 /nfs/dbraw/zinc/02/04/94/1425020494.db2.gz PQVIOEPFNFZWKD-FQEVSTJZSA-N 0 1 378.455 3.205 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@@H+]1CCCN(c3ccccc3-c3nn[n-]n3)CC1)CC2 ZINC000822783004 1425020500 /nfs/dbraw/zinc/02/05/00/1425020500.db2.gz PQVIOEPFNFZWKD-FQEVSTJZSA-N 0 1 378.455 3.205 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CCCN(c3ccccc3-c3nn[n-]n3)CC1)CC2 ZINC000822783004 1425020507 /nfs/dbraw/zinc/02/05/07/1425020507.db2.gz PQVIOEPFNFZWKD-FQEVSTJZSA-N 0 1 378.455 3.205 20 0 GGADMN CCNC(=O)NCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000163624721 1425026355 /nfs/dbraw/zinc/02/63/55/1425026355.db2.gz QMJUCYGLJHRFKI-UHFFFAOYSA-N 0 1 393.447 3.157 20 0 GGADMN COc1ccc(C(=O)C2CC[NH+](Cc3cc(F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000821768903 1425027029 /nfs/dbraw/zinc/02/70/29/1425027029.db2.gz ASOOFSUMXFQENT-UHFFFAOYSA-N 0 1 395.438 3.109 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736401500 1425028949 /nfs/dbraw/zinc/02/89/49/1425028949.db2.gz IRXWPSMABHZCRS-JKSUJKDBSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401500 1425028956 /nfs/dbraw/zinc/02/89/56/1425028956.db2.gz IRXWPSMABHZCRS-JKSUJKDBSA-N 0 1 399.543 3.128 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736401500 1425028967 /nfs/dbraw/zinc/02/89/67/1425028967.db2.gz IRXWPSMABHZCRS-JKSUJKDBSA-N 0 1 399.543 3.128 20 0 GGADMN CCCOCc1ccccc1CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000163661913 1425030995 /nfs/dbraw/zinc/03/09/95/1425030995.db2.gz PAGXZPZQNMAFLQ-INIZCTEOSA-N 0 1 376.522 3.372 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2ccc(Cn3cncn3)cc2)CC1 ZINC000180160246 1429771353 /nfs/dbraw/zinc/77/13/53/1429771353.db2.gz VQJQPPJFNRARKK-UHFFFAOYSA-N 0 1 396.926 3.344 20 0 GGADMN O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000163687909 1425033581 /nfs/dbraw/zinc/03/35/81/1425033581.db2.gz BRVVVVVFHOGWFK-SFHVURJKSA-N 0 1 383.473 3.253 20 0 GGADMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCc1csc(C)n1 ZINC000163686613 1425033815 /nfs/dbraw/zinc/03/38/15/1425033815.db2.gz QIAMWEOLILSDTQ-QGZVFWFLSA-N 0 1 390.505 3.174 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000163735331 1425039514 /nfs/dbraw/zinc/03/95/14/1425039514.db2.gz YRYKJVDGMOJKEA-KRWDZBQOSA-N 0 1 391.512 3.322 20 0 GGADMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000163750925 1425040538 /nfs/dbraw/zinc/04/05/38/1425040538.db2.gz AESYAWWQANGXPZ-KXBFYZLASA-N 0 1 380.554 3.214 20 0 GGADMN COc1ccc2c(c1)[C@H](NCc1cccc(OCC(=O)N(C)C)c1)CCCO2 ZINC000163770139 1425042731 /nfs/dbraw/zinc/04/27/31/1425042731.db2.gz XRCDDEKNESPYSN-HXUWFJFHSA-N 0 1 384.476 3.166 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163778806 1425043393 /nfs/dbraw/zinc/04/33/93/1425043393.db2.gz CBBDQUXTTDMPRM-YADHBBJMSA-N 0 1 379.504 3.264 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822497011 1425053474 /nfs/dbraw/zinc/05/34/74/1425053474.db2.gz WFINBFNFVJOSSZ-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822497011 1425053484 /nfs/dbraw/zinc/05/34/84/1425053484.db2.gz WFINBFNFVJOSSZ-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+](C1CC1)C1CCCCC1 ZINC000737523907 1425054812 /nfs/dbraw/zinc/05/48/12/1425054812.db2.gz LAJAESBZVSZPGP-UHFFFAOYSA-N 0 1 378.484 3.188 20 0 GGADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000163926408 1425058905 /nfs/dbraw/zinc/05/89/05/1425058905.db2.gz YFQHBVNHLLRVMC-CVEARBPZSA-N 0 1 376.526 3.007 20 0 GGADMN Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000180163222 1429773835 /nfs/dbraw/zinc/77/38/35/1429773835.db2.gz WKYAOFFVCLAUCS-IBGZPJMESA-N 0 1 385.508 3.321 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736266414 1425068170 /nfs/dbraw/zinc/06/81/70/1425068170.db2.gz HLHYDYLGIOEJSJ-GFCCVEGCSA-N 0 1 393.948 3.071 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736266414 1425068177 /nfs/dbraw/zinc/06/81/77/1425068177.db2.gz HLHYDYLGIOEJSJ-GFCCVEGCSA-N 0 1 393.948 3.071 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736266414 1425068186 /nfs/dbraw/zinc/06/81/86/1425068186.db2.gz HLHYDYLGIOEJSJ-GFCCVEGCSA-N 0 1 393.948 3.071 20 0 GGADMN C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000164013756 1425068892 /nfs/dbraw/zinc/06/88/92/1425068892.db2.gz XCMWJAPLWMSSIF-HNNXBMFYSA-N 0 1 386.496 3.269 20 0 GGADMN COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826216908 1425070491 /nfs/dbraw/zinc/07/04/91/1425070491.db2.gz RRZITKBLLDXJOQ-MAUKXSAKSA-N 0 1 378.480 3.195 20 0 GGADMN N#CCc1ccc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)cc1 ZINC000232226261 1433373280 /nfs/dbraw/zinc/37/32/80/1433373280.db2.gz CUMNPWMZAUPBSW-UHFFFAOYSA-N 0 1 386.658 3.364 20 0 GGADMN Fc1ccc2[nH]c3c(c2c1)CN(c1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2)CC3 ZINC000826376200 1425074055 /nfs/dbraw/zinc/07/40/55/1425074055.db2.gz SNONERMANSWUES-UHFFFAOYSA-N 0 1 389.438 3.324 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)CC1 ZINC000164076599 1425074911 /nfs/dbraw/zinc/07/49/11/1425074911.db2.gz CIMDZMPWRSZWGH-QHCPKHFHSA-N 0 1 392.547 3.151 20 0 GGADMN C[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2)C[C@H](c2ccsc2)O1 ZINC000164075787 1425075042 /nfs/dbraw/zinc/07/50/42/1425075042.db2.gz OEUDASRFFGGSOH-OXJNMPFZSA-N 0 1 385.533 3.278 20 0 GGADMN CCN(CC(C)(C)O)C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000164127021 1425079896 /nfs/dbraw/zinc/07/98/96/1425079896.db2.gz OUHCTYRYMJZZEQ-GOSISDBHSA-N 0 1 377.529 3.025 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737547737 1425084486 /nfs/dbraw/zinc/08/44/86/1425084486.db2.gz KBNHCKCWGSAQEB-OCCSQVGLSA-N 0 1 382.468 3.139 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@@H](O)c3ccccc3)n2)cc1 ZINC000164199438 1425086736 /nfs/dbraw/zinc/08/67/36/1425086736.db2.gz QVLMQLDXCLLJJK-QGZVFWFLSA-N 0 1 382.489 3.112 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737334327 1425089807 /nfs/dbraw/zinc/08/98/07/1425089807.db2.gz FMUSLFQLTDDSJM-AWEZNQCLSA-N 0 1 398.898 3.330 20 0 GGADMN COc1ccc(C[C@H](C)[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OC ZINC000826192036 1425089911 /nfs/dbraw/zinc/08/99/11/1425089911.db2.gz XSIFPZDHQKFXOL-AWEZNQCLSA-N 0 1 379.464 3.094 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824992119 1425091170 /nfs/dbraw/zinc/09/11/70/1425091170.db2.gz KAWIMTYEMSJDLG-UONOGXRCSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824992119 1425091180 /nfs/dbraw/zinc/09/11/80/1425091180.db2.gz KAWIMTYEMSJDLG-UONOGXRCSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824992119 1425091194 /nfs/dbraw/zinc/09/11/94/1425091194.db2.gz KAWIMTYEMSJDLG-UONOGXRCSA-N 0 1 383.887 3.014 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(CC(C)C)c1C ZINC000164258132 1425092781 /nfs/dbraw/zinc/09/27/81/1425092781.db2.gz GXYCKOVIUNSBLY-UHFFFAOYSA-N 0 1 399.539 3.250 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@H](C4(C)OCCO4)C3)c2c1 ZINC000826263880 1425097128 /nfs/dbraw/zinc/09/71/28/1425097128.db2.gz UKPUQGWKVXBHKN-HNNXBMFYSA-N 0 1 394.479 3.011 20 0 GGADMN CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820607626 1425110100 /nfs/dbraw/zinc/11/01/00/1425110100.db2.gz XFGAOEFUFPSDJO-QGZVFWFLSA-N 0 1 393.495 3.127 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H]1CCc2ccc(Br)cc21 ZINC000193994931 1433097908 /nfs/dbraw/zinc/09/79/08/1433097908.db2.gz ZHSVGMPLGNVZOR-CABCVRRESA-N 0 1 387.343 3.168 20 0 GGADMN c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NC1CCC([NH+]2CCCCC2)CC1 ZINC000823797504 1425111712 /nfs/dbraw/zinc/11/17/12/1425111712.db2.gz QQNXEZIVRAJJPB-UHFFFAOYSA-N 0 1 377.496 3.046 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000164442733 1425112297 /nfs/dbraw/zinc/11/22/97/1425112297.db2.gz LATRDKQVAWFMER-XHDPSFHLSA-N 0 1 390.369 3.368 20 0 GGADMN COc1cccc(OCCN2CCN(CCCOc3ccc(F)cc3)CC2)c1 ZINC000164441846 1425112321 /nfs/dbraw/zinc/11/23/21/1425112321.db2.gz ADOWMMKPHXTQIW-UHFFFAOYSA-N 0 1 388.483 3.300 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736254581 1425114454 /nfs/dbraw/zinc/11/44/54/1425114454.db2.gz ZSVQMKKTHAONJR-TXEJJXNPSA-N 0 1 387.438 3.368 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736254581 1425114456 /nfs/dbraw/zinc/11/44/56/1425114456.db2.gz ZSVQMKKTHAONJR-TXEJJXNPSA-N 0 1 387.438 3.368 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000736254581 1425114457 /nfs/dbraw/zinc/11/44/57/1425114457.db2.gz ZSVQMKKTHAONJR-TXEJJXNPSA-N 0 1 387.438 3.368 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000822233618 1425115128 /nfs/dbraw/zinc/11/51/28/1425115128.db2.gz RZXHNLLUCKBGPD-QGZVFWFLSA-N 0 1 380.452 3.324 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000164484116 1425116386 /nfs/dbraw/zinc/11/63/86/1425116386.db2.gz ZRGWJBWSKGJOBF-XHDPSFHLSA-N 0 1 390.369 3.368 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000820658855 1425117463 /nfs/dbraw/zinc/11/74/63/1425117463.db2.gz VCOWLUBUYHFMEM-PBHICJAKSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000820658855 1425117470 /nfs/dbraw/zinc/11/74/70/1425117470.db2.gz VCOWLUBUYHFMEM-PBHICJAKSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000820658855 1425117480 /nfs/dbraw/zinc/11/74/80/1425117480.db2.gz VCOWLUBUYHFMEM-PBHICJAKSA-N 0 1 396.520 3.053 20 0 GGADMN O=C(NCc1ccc(O)cc1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164542925 1425121781 /nfs/dbraw/zinc/12/17/81/1425121781.db2.gz IUNRKMWINYQKSH-OAHLLOKOSA-N 0 1 391.353 3.118 20 0 GGADMN O=C(NCc1ccc(O)cc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164542815 1425122233 /nfs/dbraw/zinc/12/22/33/1425122233.db2.gz IUNRKMWINYQKSH-HNNXBMFYSA-N 0 1 391.353 3.118 20 0 GGADMN O[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000823696704 1425125959 /nfs/dbraw/zinc/12/59/59/1425125959.db2.gz GRFCHGPYWFUYKZ-OXJNMPFZSA-N 0 1 393.491 3.086 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCCOc3ccc(C)cc3Cl)C2)CC1 ZINC000164591878 1425126280 /nfs/dbraw/zinc/12/62/80/1425126280.db2.gz VNBQGSHFFYGOPV-SFHVURJKSA-N 0 1 393.959 3.046 20 0 GGADMN C[C@@]1(c2ccccc2)CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CCO1 ZINC000164585654 1425126712 /nfs/dbraw/zinc/12/67/12/1425126712.db2.gz DXMALZWYGCNYAA-QHCPKHFHSA-N 0 1 394.519 3.003 20 0 GGADMN CC[N@H+]1CCN(Cc2cc(Br)c([O-])c(Br)c2)C[C@@H]1C ZINC000233483781 1433373406 /nfs/dbraw/zinc/37/34/06/1433373406.db2.gz UOANAUZHUAVQDP-JTQLQIEISA-N 0 1 392.135 3.443 20 0 GGADMN Cc1cccc2c(NCc3cnn(Cc4ccccc4)c3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822336500 1425129253 /nfs/dbraw/zinc/12/92/53/1425129253.db2.gz QVVMMCVNCDYJNP-UHFFFAOYSA-N 0 1 396.458 3.002 20 0 GGADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000164620832 1425129523 /nfs/dbraw/zinc/12/95/23/1425129523.db2.gz VYULWYGFASEKIK-UHFFFAOYSA-N 0 1 393.852 3.428 20 0 GGADMN C[C@H]1CSCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825012315 1425129881 /nfs/dbraw/zinc/12/98/81/1425129881.db2.gz GXQUMLQVZGRDIT-HNNXBMFYSA-N 0 1 381.505 3.383 20 0 GGADMN O=C(NCc1cccc(O)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164626697 1425130623 /nfs/dbraw/zinc/13/06/23/1425130623.db2.gz IKSXWCWTVCDPJR-OAHLLOKOSA-N 0 1 391.353 3.118 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000164725357 1425137904 /nfs/dbraw/zinc/13/79/04/1425137904.db2.gz BCBBRGFHOMARJP-UHFFFAOYSA-N 0 1 390.392 3.377 20 0 GGADMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCc1c(C)noc1C ZINC000164738448 1425138544 /nfs/dbraw/zinc/13/85/44/1425138544.db2.gz ZMMWWZLCTVXGRR-GOSISDBHSA-N 0 1 388.464 3.014 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000822335227 1425142358 /nfs/dbraw/zinc/14/23/58/1425142358.db2.gz JECIZJLBVBQYQE-HNNXBMFYSA-N 0 1 379.512 3.069 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000822335227 1425142370 /nfs/dbraw/zinc/14/23/70/1425142370.db2.gz JECIZJLBVBQYQE-HNNXBMFYSA-N 0 1 379.512 3.069 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000822335227 1425142377 /nfs/dbraw/zinc/14/23/77/1425142377.db2.gz JECIZJLBVBQYQE-HNNXBMFYSA-N 0 1 379.512 3.069 20 0 GGADMN C[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)C[C@H](c2ccsc2)O1 ZINC000820768862 1425143960 /nfs/dbraw/zinc/14/39/60/1425143960.db2.gz QJHBXXOWFQXKSI-SJKOYZFVSA-N 0 1 378.461 3.443 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(-c3ncco3)c2)c(C)o1 ZINC000164813533 1425144713 /nfs/dbraw/zinc/14/47/13/1425144713.db2.gz OADCAXHYYAIQJB-UHFFFAOYSA-N 0 1 376.390 3.139 20 0 GGADMN CN1CC[C@@H](CNC(=O)NO[C@@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164830484 1425145631 /nfs/dbraw/zinc/14/56/31/1425145631.db2.gz YQPQMDBLFQKQOF-XKQJLSEDSA-N 0 1 385.867 3.229 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C(=O)N2CCOCC2)C(C)C)cnn1-c1cc(C)ccc1C ZINC000164849684 1425146242 /nfs/dbraw/zinc/14/62/42/1425146242.db2.gz NBFJHPFWWKRFNC-GCJKJVERSA-N 0 1 398.551 3.332 20 0 GGADMN CC[C@H](N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C)C(=O)N1CCOCC1 ZINC000165027421 1425157371 /nfs/dbraw/zinc/15/73/71/1425157371.db2.gz YNPYWLDSTLGCJN-LIRRHRJNSA-N 0 1 390.915 3.122 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](CCO)C(C)(C)C)CCN2C2CC2)c1 ZINC000165049794 1425160064 /nfs/dbraw/zinc/16/00/64/1425160064.db2.gz JZXNRMNDUBJUBJ-SLFFLAALSA-N 0 1 389.540 3.069 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(C)c4cc(F)ccc43)n2)cc1 ZINC000165078503 1425161883 /nfs/dbraw/zinc/16/18/83/1425161883.db2.gz IRAWRTXJSYKWLE-UHFFFAOYSA-N 0 1 397.479 3.494 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)C[C@H]1OCCc2ccccc21 ZINC000822332404 1425162327 /nfs/dbraw/zinc/16/23/27/1425162327.db2.gz PNNAZZUOCWTSRU-LJQANCHMSA-N 0 1 386.459 3.474 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000165098592 1425163331 /nfs/dbraw/zinc/16/33/31/1425163331.db2.gz JJRKFGIGVCZDHH-HXUWFJFHSA-N 0 1 392.503 3.373 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000165098747 1425163568 /nfs/dbraw/zinc/16/35/68/1425163568.db2.gz JJRKFGIGVCZDHH-FQEVSTJZSA-N 0 1 392.503 3.373 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000165134990 1425165420 /nfs/dbraw/zinc/16/54/20/1425165420.db2.gz IHXPOVRAPDBDTL-OAHLLOKOSA-N 0 1 391.313 3.070 20 0 GGADMN O[C@@H](CNCc1ccc(-c2ccccc2F)o1)COc1ccc2c(c1)OCO2 ZINC000165372209 1425177623 /nfs/dbraw/zinc/17/76/23/1425177623.db2.gz HIOSHLFPGOTIDJ-AWEZNQCLSA-N 0 1 385.391 3.344 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658308 1425181454 /nfs/dbraw/zinc/18/14/54/1425181454.db2.gz RHUYJVCTKXHUSE-ZBFHGGJFSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658308 1425181456 /nfs/dbraw/zinc/18/14/56/1425181456.db2.gz RHUYJVCTKXHUSE-ZBFHGGJFSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658308 1425181461 /nfs/dbraw/zinc/18/14/61/1425181461.db2.gz RHUYJVCTKXHUSE-ZBFHGGJFSA-N 0 1 396.520 3.053 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000824104657 1425185702 /nfs/dbraw/zinc/18/57/02/1425185702.db2.gz WEPAAQPIHFDESA-UHFFFAOYSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000824104657 1425185709 /nfs/dbraw/zinc/18/57/09/1425185709.db2.gz WEPAAQPIHFDESA-UHFFFAOYSA-N 0 1 398.511 3.090 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000824104657 1425185715 /nfs/dbraw/zinc/18/57/15/1425185715.db2.gz WEPAAQPIHFDESA-UHFFFAOYSA-N 0 1 398.511 3.090 20 0 GGADMN Cn1cc(C[NH2+]Cc2cccc3cccnc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361683 1425190977 /nfs/dbraw/zinc/19/09/77/1425190977.db2.gz IZIDPSIZKAHFBV-UHFFFAOYSA-N 0 1 396.458 3.105 20 0 GGADMN CCOc1ccc(NC(=O)CN2CCN(C[C@H](C)c3ccccc3)CC2)cc1 ZINC000165662617 1425191205 /nfs/dbraw/zinc/19/12/05/1425191205.db2.gz KCFFZWIIQBXRIQ-IBGZPJMESA-N 0 1 381.520 3.445 20 0 GGADMN C[C@H]([NH2+]CCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000824598798 1425191862 /nfs/dbraw/zinc/19/18/62/1425191862.db2.gz JGQHABBISJPZBV-LBPRGKRZSA-N 0 1 388.269 3.359 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2nc3ccccc3s2)CC1 ZINC000165876102 1425199435 /nfs/dbraw/zinc/19/94/35/1425199435.db2.gz UNYWIBBSSGVHHW-UHFFFAOYSA-N 0 1 394.500 3.326 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000165962289 1425203171 /nfs/dbraw/zinc/20/31/71/1425203171.db2.gz WHVIEYBOFALWAK-UHFFFAOYSA-N 0 1 375.407 3.440 20 0 GGADMN O=C(OCc1ccc2[nH]nnc2c1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000166234359 1425208266 /nfs/dbraw/zinc/20/82/66/1425208266.db2.gz JXNVVAGWJHANBK-UHFFFAOYSA-N 0 1 398.220 3.263 20 0 GGADMN O=C(OCc1ccc2nn[nH]c2c1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000166234359 1425208274 /nfs/dbraw/zinc/20/82/74/1425208274.db2.gz JXNVVAGWJHANBK-UHFFFAOYSA-N 0 1 398.220 3.263 20 0 GGADMN O=C(c1cccc(CNCc2cc(Br)cs2)c1)N1CCOCC1 ZINC000166274926 1425209310 /nfs/dbraw/zinc/20/93/10/1425209310.db2.gz NRWLKDXQDOBZBI-UHFFFAOYSA-N 0 1 395.322 3.273 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](C)Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000166350203 1425211838 /nfs/dbraw/zinc/21/18/38/1425211838.db2.gz VDTHTQQUMTULIF-UGKGYDQZSA-N 0 1 386.584 3.162 20 0 GGADMN COc1cc([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000166613768 1425215750 /nfs/dbraw/zinc/21/57/50/1425215750.db2.gz CHBGZCXQSICLPX-DJCROIMJSA-N 0 1 397.443 3.000 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000166745548 1425217597 /nfs/dbraw/zinc/21/75/97/1425217597.db2.gz OFBKXPGMSNTWCF-QFIPXVFZSA-N 0 1 378.520 3.115 20 0 GGADMN CCc1noc(CC)c1CN[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000166924205 1425219359 /nfs/dbraw/zinc/21/93/59/1425219359.db2.gz WHYKNOAGQNFVET-CYBMUJFWSA-N 0 1 375.469 3.324 20 0 GGADMN CC[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1cnn(C)c1 ZINC000167306750 1425223991 /nfs/dbraw/zinc/22/39/91/1425223991.db2.gz GOULEXPGGOSPLK-HXUWFJFHSA-N 0 1 378.480 3.378 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000820270268 1425227161 /nfs/dbraw/zinc/22/71/61/1425227161.db2.gz YWAPMLBFSGGMMJ-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000820270268 1425227164 /nfs/dbraw/zinc/22/71/64/1425227164.db2.gz YWAPMLBFSGGMMJ-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000820270268 1425227166 /nfs/dbraw/zinc/22/71/66/1425227166.db2.gz YWAPMLBFSGGMMJ-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cnn(C)c1 ZINC000167892705 1425233110 /nfs/dbraw/zinc/23/31/10/1425233110.db2.gz DSJRPHSNIFEHHV-MRXNPFEDSA-N 0 1 395.507 3.026 20 0 GGADMN C[C@H]1CN(c2ccc(CNCc3ccc(OC(F)F)c(F)c3)cn2)CCO1 ZINC000168061339 1425235059 /nfs/dbraw/zinc/23/50/59/1425235059.db2.gz MEWUKCHFWLRWGW-ZDUSSCGKSA-N 0 1 381.398 3.337 20 0 GGADMN COCCNCC(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1 ZINC000168673818 1425239825 /nfs/dbraw/zinc/23/98/25/1425239825.db2.gz BWLRVJAUASCFSD-UHFFFAOYSA-N 0 1 386.883 3.221 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H](N)c1cccc(Cl)c1 ZINC000169249065 1425244485 /nfs/dbraw/zinc/24/44/85/1425244485.db2.gz HYYSGIPDXAABSC-HXUWFJFHSA-N 0 1 386.927 3.500 20 0 GGADMN CCc1nn(C)c(CC)c1CNCc1cc(Br)c(O)c(OC)c1 ZINC000169277638 1425244637 /nfs/dbraw/zinc/24/46/37/1425244637.db2.gz FROVUJKHWASYSQ-UHFFFAOYSA-N 0 1 382.302 3.311 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000738427443 1425252053 /nfs/dbraw/zinc/25/20/53/1425252053.db2.gz IAZGGIKGTRKFPZ-UHFFFAOYSA-N 0 1 381.443 3.394 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000736133438 1425262575 /nfs/dbraw/zinc/26/25/75/1425262575.db2.gz GWRNPTNXNXKRBI-YWZLYKJASA-N 0 1 379.464 3.103 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000824052343 1425264692 /nfs/dbraw/zinc/26/46/92/1425264692.db2.gz NLDPMWCVGYSBMO-NWDGAFQWSA-N 0 1 388.541 3.112 20 0 GGADMN O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Br)cc1Br ZINC000232485843 1433373499 /nfs/dbraw/zinc/37/34/99/1433373499.db2.gz ULGBLXRTXGWNDK-CYBMUJFWSA-N 0 1 388.103 3.036 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000170561145 1425265270 /nfs/dbraw/zinc/26/52/70/1425265270.db2.gz DMJFMPCUTVNILS-UHFFFAOYSA-N 0 1 383.853 3.247 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)cc21 ZINC000170627889 1425265709 /nfs/dbraw/zinc/26/57/09/1425265709.db2.gz GHIHMKCZROZJGP-UHFFFAOYSA-N 0 1 390.440 3.380 20 0 GGADMN O=C(N[C@H]1CN2CCC1CC2)c1cc(Br)sc1Br ZINC000232487188 1433373501 /nfs/dbraw/zinc/37/35/01/1433373501.db2.gz QFVALYRDZVPWDL-VIFPVBQESA-N 0 1 394.132 3.097 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)N2CCCC2)o1 ZINC000170633662 1425267832 /nfs/dbraw/zinc/26/78/32/1425267832.db2.gz WQIYUBSEAIBZEM-CVEARBPZSA-N 0 1 387.446 3.115 20 0 GGADMN O=C(NCCc1cccs1)C1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000170638100 1425270419 /nfs/dbraw/zinc/27/04/19/1425270419.db2.gz NGXAJABMMVDOPS-UHFFFAOYSA-N 0 1 395.532 3.035 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647620 1425273890 /nfs/dbraw/zinc/27/38/90/1425273890.db2.gz MIOUUSVGBZKYAY-ZWKOTPCHSA-N 0 1 389.540 3.189 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000170647340 1425274208 /nfs/dbraw/zinc/27/42/08/1425274208.db2.gz PVYSKILXNYVRKF-KRWDZBQOSA-N 0 1 387.524 3.029 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647906 1425275017 /nfs/dbraw/zinc/27/50/17/1425275017.db2.gz IEIOCHRSQMLOHA-HUUCEWRRSA-N 0 1 395.931 3.191 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170648146 1425276289 /nfs/dbraw/zinc/27/62/89/1425276289.db2.gz CYZHPZLGOAEIFA-QZTJIDSGSA-N 0 1 389.540 3.327 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648156 1425276376 /nfs/dbraw/zinc/27/63/76/1425276376.db2.gz XLMVGMNPSPVHRN-KZNAEPCWSA-N 0 1 389.540 3.141 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648206 1425276685 /nfs/dbraw/zinc/27/66/85/1425276685.db2.gz DHEPLMLSIWJNDU-ARFHVFGLSA-N 0 1 393.503 3.238 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648253 1425276919 /nfs/dbraw/zinc/27/69/19/1425276919.db2.gz TWOAJWIMZHUBTF-DLBZAZTESA-N 0 1 387.524 3.201 20 0 GGADMN CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000821612341 1425277015 /nfs/dbraw/zinc/27/70/15/1425277015.db2.gz RBGZBJFUEUKBFU-UHFFFAOYSA-N 0 1 399.543 3.054 20 0 GGADMN COc1ccccc1CNC(=O)[C@@H](C)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651086 1425277528 /nfs/dbraw/zinc/27/75/28/1425277528.db2.gz MSXSDWZGSUFPAV-MRXNPFEDSA-N 0 1 385.483 3.416 20 0 GGADMN COc1cccc(CNC(=O)[C@@H](C)N2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000170650993 1425277700 /nfs/dbraw/zinc/27/77/00/1425277700.db2.gz ZTMKWVFSFZUNIC-MRXNPFEDSA-N 0 1 385.483 3.416 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170656672 1425279346 /nfs/dbraw/zinc/27/93/46/1425279346.db2.gz FQTNSPBYVHZEAS-UHFFFAOYSA-N 0 1 388.320 3.141 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000826334944 1425285866 /nfs/dbraw/zinc/28/58/66/1425285866.db2.gz QANPUFAHVXUWKK-UHFFFAOYSA-N 0 1 378.484 3.069 20 0 GGADMN CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821497130 1425285862 /nfs/dbraw/zinc/28/58/62/1425285862.db2.gz PTUTVIVFTBUTIU-GJZGRUSLSA-N 0 1 378.480 3.497 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCc2ccncc2)N2CCCC2)c1 ZINC000170674808 1425291054 /nfs/dbraw/zinc/29/10/54/1425291054.db2.gz YKIRGBHKTCEEJQ-OAQYLSRUSA-N 0 1 382.508 3.111 20 0 GGADMN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)NC1CCN(Cc2ccccn2)CC1 ZINC000170679208 1425293362 /nfs/dbraw/zinc/29/33/62/1425293362.db2.gz SVUIKPGWQCRPRE-YADHBBJMSA-N 0 1 394.519 3.266 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)CCc3ccncc3)cc2)C[C@@H](C)O1 ZINC000170679287 1425293813 /nfs/dbraw/zinc/29/38/13/1425293813.db2.gz LDCQFMZFLNOPJL-RTBURBONSA-N 0 1 396.535 3.075 20 0 GGADMN c1sc(CNc2ccc(CC[NH+]3CCSCC3)cc2)cc1-c1nnn[n-]1 ZINC000823757963 1425294180 /nfs/dbraw/zinc/29/41/80/1425294180.db2.gz YBZQNUCNANLHKG-UHFFFAOYSA-N 0 1 386.550 3.132 20 0 GGADMN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)NC1CCN(Cc2ccncc2)CC1 ZINC000170684430 1425296836 /nfs/dbraw/zinc/29/68/36/1425296836.db2.gz HFAMHYYXRMXZCZ-FCHUYYIVSA-N 0 1 394.519 3.266 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000736198849 1425296950 /nfs/dbraw/zinc/29/69/50/1425296950.db2.gz VFOWHRAUFJUXMJ-AWEZNQCLSA-N 0 1 377.448 3.228 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000170687952 1425299756 /nfs/dbraw/zinc/29/97/56/1425299756.db2.gz ANGSDQSWJJGJAJ-QGZVFWFLSA-N 0 1 391.443 3.168 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccccc1N1CCCCC1 ZINC000170689020 1425300819 /nfs/dbraw/zinc/30/08/19/1425300819.db2.gz DIASOLCAFXEONH-UHFFFAOYSA-N 0 1 391.475 3.312 20 0 GGADMN COC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000170697306 1425305275 /nfs/dbraw/zinc/30/52/75/1425305275.db2.gz CZMPDDAWNRKDGS-UHFFFAOYSA-N 0 1 382.464 3.177 20 0 GGADMN Cc1c(Cl)cnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826237399 1425310032 /nfs/dbraw/zinc/31/00/32/1425310032.db2.gz YIBFQNOAFRHZKK-INIZCTEOSA-N 0 1 397.914 3.182 20 0 GGADMN Cc1c(Cl)cnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237399 1425310041 /nfs/dbraw/zinc/31/00/41/1425310041.db2.gz YIBFQNOAFRHZKK-INIZCTEOSA-N 0 1 397.914 3.182 20 0 GGADMN Cc1c(Cl)cnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826237399 1425310047 /nfs/dbraw/zinc/31/00/47/1425310047.db2.gz YIBFQNOAFRHZKK-INIZCTEOSA-N 0 1 397.914 3.182 20 0 GGADMN CC(C)(C)OC(=O)NC1(C(=O)NC[C@H](c2ccco2)N2CCCC2)CCCC1 ZINC000170710774 1425312322 /nfs/dbraw/zinc/31/23/22/1425312322.db2.gz ITSRHEVFGCGGGN-MRXNPFEDSA-N 0 1 391.512 3.370 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000170710694 1425312409 /nfs/dbraw/zinc/31/24/09/1425312409.db2.gz PNFBCRXESCWZNJ-UHFFFAOYSA-N 0 1 394.475 3.415 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000170712087 1425312903 /nfs/dbraw/zinc/31/29/03/1425312903.db2.gz PSGIVLFPRWKDJZ-HXUWFJFHSA-N 0 1 393.535 3.465 20 0 GGADMN CN(C[C@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000170719674 1425316037 /nfs/dbraw/zinc/31/60/37/1425316037.db2.gz JUXYYQFVEFJMKM-QGZVFWFLSA-N 0 1 393.572 3.499 20 0 GGADMN C[C@@H](O)CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000170720675 1425316540 /nfs/dbraw/zinc/31/65/40/1425316540.db2.gz RAQBBPZEYCUXJH-GOSISDBHSA-N 0 1 399.560 3.061 20 0 GGADMN C[C@H](O)CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccccc1 ZINC000170720672 1425316559 /nfs/dbraw/zinc/31/65/59/1425316559.db2.gz RAQBBPZEYCUXJH-SFHVURJKSA-N 0 1 399.560 3.061 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)N2CCCC2)o1 ZINC000170724874 1425318840 /nfs/dbraw/zinc/31/88/40/1425318840.db2.gz BHDLBVMNDDMMSG-MAUKXSAKSA-N 0 1 399.495 3.276 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820420439 1425319172 /nfs/dbraw/zinc/31/91/72/1425319172.db2.gz QXBAGDKKBGIYIM-MEDUHNTESA-N 0 1 377.370 3.270 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](CCC(N)=O)C1 ZINC000170734167 1425322655 /nfs/dbraw/zinc/32/26/55/1425322655.db2.gz VNKLDQJGXZTEDX-RCCFBDPRSA-N 0 1 381.520 3.383 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CCC(N)=O)C1)c1cccc2ccccc21 ZINC000170734173 1425322806 /nfs/dbraw/zinc/32/28/06/1425322806.db2.gz VNKLDQJGXZTEDX-OKZBNKHCSA-N 0 1 381.520 3.383 20 0 GGADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000170737645 1425323383 /nfs/dbraw/zinc/32/33/83/1425323383.db2.gz XEJYKAQDZFDJCO-RTBURBONSA-N 0 1 393.531 3.258 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCCc1cccc(O)c1)N1CCCC1 ZINC000170748947 1425326521 /nfs/dbraw/zinc/32/65/21/1425326521.db2.gz MOPKVGNNDIKTDG-FQEVSTJZSA-N 0 1 383.492 3.080 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000170764034 1425331066 /nfs/dbraw/zinc/33/10/66/1425331066.db2.gz NWJLUEOEGJCALH-UHFFFAOYSA-N 0 1 383.467 3.135 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000170764030 1425331392 /nfs/dbraw/zinc/33/13/92/1425331392.db2.gz MFHFZGZTCUCFMI-UHFFFAOYSA-N 0 1 379.504 3.304 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cc(-c4cccs4)nn3CCO)[nH]n2)o1 ZINC000170766739 1425331982 /nfs/dbraw/zinc/33/19/82/1425331982.db2.gz BTXSUEDGCBLCIR-UHFFFAOYSA-N 0 1 383.433 3.148 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cc(-c4ccccc4C)nn3CCO)[nH]n2)o1 ZINC000170767272 1425332231 /nfs/dbraw/zinc/33/22/31/1425332231.db2.gz LNWTYHFJAZCGEJ-UHFFFAOYSA-N 0 1 391.431 3.395 20 0 GGADMN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000170774175 1425335814 /nfs/dbraw/zinc/33/58/14/1425335814.db2.gz NDUAGFJGRNISGI-UHFFFAOYSA-N 0 1 376.388 3.127 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)c(C)o1 ZINC000170775600 1425336754 /nfs/dbraw/zinc/33/67/54/1425336754.db2.gz UJDIOVMXLMTFML-IBGZPJMESA-N 0 1 378.419 3.102 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)c(C)o1 ZINC000170776837 1425337955 /nfs/dbraw/zinc/33/79/55/1425337955.db2.gz BHKLCALNNMDFLQ-KRWDZBQOSA-N 0 1 397.519 3.138 20 0 GGADMN O[C@](CNCc1ccccc1N1CCOCC1)(c1ccccc1)C(F)(F)F ZINC000170790563 1425343856 /nfs/dbraw/zinc/34/38/56/1425343856.db2.gz JXCDNAPITPREPE-LJQANCHMSA-N 0 1 380.410 3.063 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccncc3)c2C1 ZINC000170820107 1425353158 /nfs/dbraw/zinc/35/31/58/1425353158.db2.gz YSOJCNUDGFLIKR-MRXNPFEDSA-N 0 1 380.492 3.039 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3cscn3)c2C1 ZINC000170820601 1425354085 /nfs/dbraw/zinc/35/40/85/1425354085.db2.gz QECNPDKYOOBJIE-CQSZACIVSA-N 0 1 386.521 3.100 20 0 GGADMN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824546709 1425358125 /nfs/dbraw/zinc/35/81/25/1425358125.db2.gz KDPLNTBGQBHGBJ-HZPDHXFCSA-N 0 1 377.496 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3.323 20 0 GGADMN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824540308 1425549449 /nfs/dbraw/zinc/54/94/49/1425549449.db2.gz WAVUGJHSTYHSGM-TZUVLKIQSA-N 0 1 398.511 3.448 20 0 GGADMN C[C@H](c1nnnn1-c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000171225956 1425549789 /nfs/dbraw/zinc/54/97/89/1425549789.db2.gz FLGMFMBWACJFSW-QGZVFWFLSA-N 0 1 380.471 3.070 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000171227717 1425550783 /nfs/dbraw/zinc/55/07/83/1425550783.db2.gz DALNSTONLFZOCC-LJQANCHMSA-N 0 1 384.480 3.183 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCCNc2ccc(C)cn2)N2CCCC2)o1 ZINC000171227703 1425550912 /nfs/dbraw/zinc/55/09/12/1425550912.db2.gz BIRQYDWPMULDEN-SFHVURJKSA-N 0 1 385.512 3.230 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(C2OCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000171238265 1425560363 /nfs/dbraw/zinc/56/03/63/1425560363.db2.gz MSNKHGFFTJNQGN-IAGOWNOFSA-N 0 1 386.536 3.216 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(C2OCCO2)CC1)c1ccc2c(c1)CCCC2 ZINC000171238269 1425560790 /nfs/dbraw/zinc/56/07/90/1425560790.db2.gz MSNKHGFFTJNQGN-IRXDYDNUSA-N 0 1 386.536 3.216 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(C2OCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000171239706 1425561201 /nfs/dbraw/zinc/56/12/01/1425561201.db2.gz NTQWKQIJKWGJRX-GFCCVEGCSA-N 0 1 387.307 3.256 20 0 GGADMN C[C@H](NC(=O)Nc1ccc2c(c1)CCO2)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171241407 1425561935 /nfs/dbraw/zinc/56/19/35/1425561935.db2.gz ROBPHZNTOCJXAD-HNNXBMFYSA-N 0 1 398.482 3.395 20 0 GGADMN C[C@@H](NC(=O)N1CCn2cccc2[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171241663 1425562031 /nfs/dbraw/zinc/56/20/31/1425562031.db2.gz NQBNIGAFTMSMMH-IAGOWNOFSA-N 0 1 399.514 3.226 20 0 GGADMN Fc1cc(N2CC[C@@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)C2)ccc1Cl ZINC000826372733 1425563334 /nfs/dbraw/zinc/56/33/34/1425563334.db2.gz JICMECOMTWLIAZ-LLVKDONJSA-N 0 1 378.864 3.089 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000819877491 1425563488 /nfs/dbraw/zinc/56/34/88/1425563488.db2.gz WWPIEWQBQNOJBB-ZMSDIMECSA-N 0 1 376.464 3.072 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1)c1cccc(F)c1 ZINC000171261231 1425578672 /nfs/dbraw/zinc/57/86/72/1425578672.db2.gz FFUPJBQRCZJQIB-INIZCTEOSA-N 0 1 379.382 3.121 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3scnc3c2)N(C)C)cc1 ZINC000171261264 1425579020 /nfs/dbraw/zinc/57/90/20/1425579020.db2.gz YMBLARJEWCNJHE-GOSISDBHSA-N 0 1 396.516 3.216 20 0 GGADMN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000171262711 1425580535 /nfs/dbraw/zinc/58/05/35/1425580535.db2.gz XSFIPXXBNFOWBK-UHFFFAOYSA-N 0 1 391.346 3.397 20 0 GGADMN Cn1cc(CCCNC(=O)N2CCN(Cc3cccc4ccccc43)CC2)cn1 ZINC000171263516 1425580672 /nfs/dbraw/zinc/58/06/72/1425580672.db2.gz QPBCLCIGTBOQLV-UHFFFAOYSA-N 0 1 391.519 3.033 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCO1 ZINC000171268059 1425585111 /nfs/dbraw/zinc/58/51/11/1425585111.db2.gz GLSVFECXMILMDU-KRWDZBQOSA-N 0 1 388.512 3.144 20 0 GGADMN O=C(Nc1ccc2scnc2c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000171268762 1425585519 /nfs/dbraw/zinc/58/55/19/1425585519.db2.gz YRLHKQQHKRGZFH-GOSISDBHSA-N 0 1 394.500 3.188 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)C(=O)Nc1cccc(C(F)F)c1 ZINC000171271831 1425587284 /nfs/dbraw/zinc/58/72/84/1425587284.db2.gz JTIJCMYDCRRIAV-UHFFFAOYSA-N 0 1 397.491 3.041 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 ZINC000171276597 1425588711 /nfs/dbraw/zinc/58/87/11/1425588711.db2.gz SXVQCVZISAFMPC-LJQANCHMSA-N 0 1 385.533 3.162 20 0 GGADMN Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826307664 1425591349 /nfs/dbraw/zinc/59/13/49/1425591349.db2.gz RFJXMKAPGBTLGI-HXUWFJFHSA-N 0 1 379.464 3.018 20 0 GGADMN Cc1ccccc1OCCC[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826307664 1425591354 /nfs/dbraw/zinc/59/13/54/1425591354.db2.gz RFJXMKAPGBTLGI-HXUWFJFHSA-N 0 1 379.464 3.018 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1)c1ccco1 ZINC000171290917 1425596998 /nfs/dbraw/zinc/59/69/98/1425596998.db2.gz TXYQBAYKHIAXJS-OAHLLOKOSA-N 0 1 379.407 3.355 20 0 GGADMN C[NH+](C)CCCOc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821584619 1425598569 /nfs/dbraw/zinc/59/85/69/1425598569.db2.gz LPHGONZRKTYZMX-UHFFFAOYSA-N 0 1 386.887 3.463 20 0 GGADMN Cc1cccc(NC[C@@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)[nH+]1 ZINC000737400744 1425603797 /nfs/dbraw/zinc/60/37/97/1425603797.db2.gz YPUOARYPJHGCHY-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531606 1425605516 /nfs/dbraw/zinc/60/55/16/1425605516.db2.gz PPPZIROAYJLBDS-QLJPJBMISA-N 0 1 395.360 3.409 20 0 GGADMN C(=Cc1ccccc1)C[NH+]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000823861507 1425613647 /nfs/dbraw/zinc/61/36/47/1425613647.db2.gz KZTVNODBKXLZAG-QPJJXVBHSA-N 0 1 397.486 3.250 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826212366 1425614758 /nfs/dbraw/zinc/61/47/58/1425614758.db2.gz OKQRUCCTSXTJIY-LJQANCHMSA-N 0 1 379.464 3.393 20 0 GGADMN CC(C)c1ccc([C@@H](NCC(=O)N2CCC(C(N)=O)CC2)c2cccs2)cc1 ZINC000171331012 1425621742 /nfs/dbraw/zinc/62/17/42/1425621742.db2.gz TZSQMZKFWLSCAU-OAQYLSRUSA-N 0 1 399.560 3.274 20 0 GGADMN CC(C)c1ccc([C@H](NCC(=O)N2CCC(C(N)=O)CC2)c2cccs2)cc1 ZINC000171331009 1425621779 /nfs/dbraw/zinc/62/17/79/1425621779.db2.gz TZSQMZKFWLSCAU-NRFANRHFSA-N 0 1 399.560 3.274 20 0 GGADMN CCCCN1Cc2cccc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000171345643 1425628883 /nfs/dbraw/zinc/62/88/83/1425628883.db2.gz ZQNQOMDWGTZSEV-UHFFFAOYSA-N 0 1 399.520 3.193 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSC[C@H]2CCCCO2)N2CCCC2)c1 ZINC000171352381 1425633102 /nfs/dbraw/zinc/63/31/02/1425633102.db2.gz OMYKKSJGUUORFW-UXHICEINSA-N 0 1 392.565 3.251 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)nc2)N(C)C)c1 ZINC000171356943 1425637446 /nfs/dbraw/zinc/63/74/46/1425637446.db2.gz QWIVFJNGQGSYID-OAQYLSRUSA-N 0 1 396.535 3.359 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cn2ccccc2n1 ZINC000171383848 1425652680 /nfs/dbraw/zinc/65/26/80/1425652680.db2.gz CYDQIEGEPLDKBP-QGZVFWFLSA-N 0 1 377.492 3.441 20 0 GGADMN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000171387714 1425655696 /nfs/dbraw/zinc/65/56/96/1425655696.db2.gz RIFLATILHURVCT-HNNXBMFYSA-N 0 1 392.912 3.160 20 0 GGADMN CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc21 ZINC000823972723 1425662381 /nfs/dbraw/zinc/66/23/81/1425662381.db2.gz FUGOIOVTUTZDKC-XIKOKIGWSA-N 0 1 380.427 3.154 20 0 GGADMN Cc1nc(C[C@H]2CCCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)no1 ZINC000171408367 1425667492 /nfs/dbraw/zinc/66/74/92/1425667492.db2.gz IAQCAPSMMJZUPR-JWLCHGAKSA-N 0 1 386.540 3.106 20 0 GGADMN Cc1c(C[NH+]2CCSCC2)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822026983 1425667742 /nfs/dbraw/zinc/66/77/42/1425667742.db2.gz CAEBNQBFZJJTTK-UHFFFAOYSA-N 0 1 380.521 3.336 20 0 GGADMN CCCCc1nc2ccc(NC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)cc2[nH]1 ZINC000171440665 1425679497 /nfs/dbraw/zinc/67/94/97/1425679497.db2.gz NANIGQVDBHEGHQ-ZDUSSCGKSA-N 0 1 397.479 3.097 20 0 GGADMN Brc1ccc([C@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000823826479 1425681706 /nfs/dbraw/zinc/68/17/06/1425681706.db2.gz JVUUKCLCWASWPV-MRXNPFEDSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000823826479 1425681711 /nfs/dbraw/zinc/68/17/11/1425681711.db2.gz JVUUKCLCWASWPV-MRXNPFEDSA-N 0 1 385.269 3.361 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)c1ccccc1 ZINC000171445724 1425682189 /nfs/dbraw/zinc/68/21/89/1425682189.db2.gz RDYNVXUBXLRTDY-GOSISDBHSA-N 0 1 393.484 3.219 20 0 GGADMN CC(C)(CNC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000171459488 1425688161 /nfs/dbraw/zinc/68/81/61/1425688161.db2.gz CPJKGFMFTYRCCJ-UHFFFAOYSA-N 0 1 384.499 3.462 20 0 GGADMN CCN(C)[C@H](C(=O)NCc1ccn(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000171479761 1425699476 /nfs/dbraw/zinc/69/94/76/1425699476.db2.gz SQBYAMNUJNVYCB-NRFANRHFSA-N 0 1 378.476 3.190 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000823673758 1425702048 /nfs/dbraw/zinc/70/20/48/1425702048.db2.gz NKZPZEHWVGEYCC-WMZOPIPTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000823673758 1425702050 /nfs/dbraw/zinc/70/20/50/1425702050.db2.gz NKZPZEHWVGEYCC-WMZOPIPTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000823673758 1425702056 /nfs/dbraw/zinc/70/20/56/1425702056.db2.gz NKZPZEHWVGEYCC-WMZOPIPTSA-N 0 1 399.520 3.285 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC000171515612 1425711116 /nfs/dbraw/zinc/71/11/16/1425711116.db2.gz GIPGVGZAAAJVIM-UHFFFAOYSA-N 0 1 394.519 3.483 20 0 GGADMN O=C(Nc1ccc2c(c1)CCCC(=O)N2)NC1CCN(Cc2ccccn2)CC1 ZINC000171525078 1425717099 /nfs/dbraw/zinc/71/70/99/1425717099.db2.gz YVUDNXAZJUGVMZ-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000171571320 1425741157 /nfs/dbraw/zinc/74/11/57/1425741157.db2.gz LEPZLBODEAOBHP-UXHICEINSA-N 0 1 375.513 3.043 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000171571322 1425741257 /nfs/dbraw/zinc/74/12/57/1425741257.db2.gz LEPZLBODEAOBHP-VQTJNVASSA-N 0 1 375.513 3.043 20 0 GGADMN CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824333470 1425742408 /nfs/dbraw/zinc/74/24/08/1425742408.db2.gz KCYCHGMYODNOEZ-LBPRGKRZSA-N 0 1 386.481 3.005 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000171585218 1425745514 /nfs/dbraw/zinc/74/55/14/1425745514.db2.gz FIDTYTZMBKQMSE-HUUCEWRRSA-N 0 1 395.569 3.378 20 0 GGADMN COC(=O)c1oc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1C ZINC000171587375 1425748042 /nfs/dbraw/zinc/74/80/42/1425748042.db2.gz MWCXNWWZTBSRNF-CQSZACIVSA-N 0 1 380.485 3.500 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000171587665 1425748349 /nfs/dbraw/zinc/74/83/49/1425748349.db2.gz BHAPCAZUGNEHPD-VQTJNVASSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171587974 1425748991 /nfs/dbraw/zinc/74/89/91/1425748991.db2.gz INWKMNXGVVPRKM-VQIMIIECSA-N 0 1 389.540 3.441 20 0 GGADMN C[C@@H](NC(=O)CN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000171588001 1425749009 /nfs/dbraw/zinc/74/90/09/1425749009.db2.gz SHQIRXCNWDDQGQ-SJORKVTESA-N 0 1 389.540 3.489 20 0 GGADMN CC(C)CN(C(=O)CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000171588177 1425749214 /nfs/dbraw/zinc/74/92/14/1425749214.db2.gz ZDZMMNPUGHEBGI-MRXNPFEDSA-N 0 1 381.561 3.259 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000824585776 1425750504 /nfs/dbraw/zinc/75/05/04/1425750504.db2.gz SZZAUEVSUMDZMY-LLVKDONJSA-N 0 1 388.834 3.339 20 0 GGADMN COc1ccnc(N2CCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)c1 ZINC000171589683 1425750758 /nfs/dbraw/zinc/75/07/58/1425750758.db2.gz WUJSJRMIVAGLCI-KRWDZBQOSA-N 0 1 384.505 3.159 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C=C(C)c3ccccc3OC)n2)cc1 ZINC000171595373 1425753659 /nfs/dbraw/zinc/75/36/59/1425753659.db2.gz NRCBSEMOGYJLTQ-WYMLVPIESA-N 0 1 378.432 3.209 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C=C(C)c3ccccc3OC)n[nH]2)cc1 ZINC000171595373 1425753664 /nfs/dbraw/zinc/75/36/64/1425753664.db2.gz NRCBSEMOGYJLTQ-WYMLVPIESA-N 0 1 378.432 3.209 20 0 GGADMN O=C(NCc1cccc(CO)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000171597521 1425754406 /nfs/dbraw/zinc/75/44/06/1425754406.db2.gz DOJLZSYOTAFXPJ-UHFFFAOYSA-N 0 1 387.911 3.296 20 0 GGADMN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1nnc2ccccn21 ZINC000171599340 1425755017 /nfs/dbraw/zinc/75/50/17/1425755017.db2.gz VAYYDCWWNCJBGT-KRWDZBQOSA-N 0 1 392.507 3.096 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000171612728 1425758410 /nfs/dbraw/zinc/75/84/10/1425758410.db2.gz RWSDBALBFVBPMC-UEXGIBASSA-N 0 1 389.540 3.006 20 0 GGADMN CCCN(CC(=O)NCc1cccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611463 1425758439 /nfs/dbraw/zinc/75/84/39/1425758439.db2.gz JTENLXZXCIHKFX-OAHLLOKOSA-N 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CCN1CCN([C@H]2CCN(C(=O)N[C@H](c3ccccc3)C3CCCC3)C2)CC1 ZINC000171719196 1425802307 /nfs/dbraw/zinc/80/23/07/1425802307.db2.gz IPGAXWTZEGXPCF-FCHUYYIVSA-N 0 1 384.568 3.339 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC[C@@H]1CCCOC1 ZINC000171720840 1425803508 /nfs/dbraw/zinc/80/35/08/1425803508.db2.gz CPUCXOYOMRTUKS-KRWDZBQOSA-N 0 1 379.932 3.278 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3nc4c(s3)CCCC4)n2)cc1 ZINC000171725119 1425804066 /nfs/dbraw/zinc/80/40/66/1425804066.db2.gz KWANTZSLYBJWQK-UHFFFAOYSA-N 0 1 384.465 3.137 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3nc4c(s3)CCCC4)n[nH]2)cc1 ZINC000171725119 1425804068 /nfs/dbraw/zinc/80/40/68/1425804068.db2.gz KWANTZSLYBJWQK-UHFFFAOYSA-N 0 1 384.465 3.137 20 0 GGADMN Cn1ccnc1-c1cccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000171732227 1425805600 /nfs/dbraw/zinc/80/56/00/1425805600.db2.gz IUGMZRICMSNJRM-UHFFFAOYSA-N 0 1 390.491 3.268 20 0 GGADMN COc1ccccc1C[C@@H](C)CC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171739799 1425808138 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CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cnn3ccccc23)cc1 ZINC000171761949 1425814096 /nfs/dbraw/zinc/81/40/96/1425814096.db2.gz KXTDGKHCBWMGOZ-INIZCTEOSA-N 0 1 386.521 3.216 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000822015713 1425815640 /nfs/dbraw/zinc/81/56/40/1425815640.db2.gz NNMZKIUTRCAFHU-GXTWGEPZSA-N 0 1 385.516 3.069 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000171773080 1425816658 /nfs/dbraw/zinc/81/66/58/1425816658.db2.gz YQTXVWKUITZENN-UHFFFAOYSA-N 0 1 392.452 3.322 20 0 GGADMN CSCC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nnc2ccccn21 ZINC000826228516 1425819502 /nfs/dbraw/zinc/81/95/02/1425819502.db2.gz REPCCAUSHSOQAC-XJKSGUPXSA-N 0 1 394.508 3.054 20 0 GGADMN CCC[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000825323461 1425825818 /nfs/dbraw/zinc/82/58/18/1425825818.db2.gz WLMQAYVPJVUTGC-HXUWFJFHSA-N 0 1 391.523 3.138 20 0 GGADMN CCC[N@H+](Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000825323461 1425825825 /nfs/dbraw/zinc/82/58/25/1425825825.db2.gz WLMQAYVPJVUTGC-HXUWFJFHSA-N 0 1 391.523 3.138 20 0 GGADMN CCC[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000825323461 1425825832 /nfs/dbraw/zinc/82/58/32/1425825832.db2.gz WLMQAYVPJVUTGC-HXUWFJFHSA-N 0 1 391.523 3.138 20 0 GGADMN CCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000825323461 1425825842 /nfs/dbraw/zinc/82/58/42/1425825842.db2.gz WLMQAYVPJVUTGC-HXUWFJFHSA-N 0 1 391.523 3.138 20 0 GGADMN CCCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825323461 1425825854 /nfs/dbraw/zinc/82/58/54/1425825854.db2.gz WLMQAYVPJVUTGC-HXUWFJFHSA-N 0 1 391.523 3.138 20 0 GGADMN CCCc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 ZINC000171834792 1425831951 /nfs/dbraw/zinc/83/19/51/1425831951.db2.gz IQTORNPVPOBRBR-UHFFFAOYSA-N 0 1 392.487 3.427 20 0 GGADMN CCN1CCCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000171853173 1425835806 /nfs/dbraw/zinc/83/58/06/1425835806.db2.gz KKAJTFTXZUDEMH-LJQANCHMSA-N 0 1 387.524 3.174 20 0 GGADMN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1nnc2ccccc2c1O ZINC000171860992 1425837301 /nfs/dbraw/zinc/83/73/01/1425837301.db2.gz IVSGXWNFKSHNTL-HXUWFJFHSA-N 0 1 395.422 3.319 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000171871951 1425840027 /nfs/dbraw/zinc/84/00/27/1425840027.db2.gz JUWVLFLBEFJZKW-LBPRGKRZSA-N 0 1 376.432 3.201 20 0 GGADMN CCOc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825632597 1425853393 /nfs/dbraw/zinc/85/33/93/1425853393.db2.gz XNTFIIWMJWJOPP-AWEZNQCLSA-N 0 1 383.452 3.004 20 0 GGADMN COc1cccc([C@H](C)N2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)c1 ZINC000171926388 1425854328 /nfs/dbraw/zinc/85/43/28/1425854328.db2.gz UKALEVFCSDJGJB-KRWDZBQOSA-N 0 1 377.488 3.416 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000171949387 1425859852 /nfs/dbraw/zinc/85/98/52/1425859852.db2.gz XSBBFLNFWUFRHT-KZNAEPCWSA-N 0 1 384.442 3.282 20 0 GGADMN O=C(CCCCN1CCOCC1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171952224 1425859890 /nfs/dbraw/zinc/85/98/90/1425859890.db2.gz WGJHJBAPBHZPPN-HSZRJFAPSA-N 0 1 392.503 3.271 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000171951896 1425859929 /nfs/dbraw/zinc/85/99/29/1425859929.db2.gz MYUBJAKQCMWQLY-APWZRJJASA-N 0 1 387.524 3.417 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000171956972 1425861707 /nfs/dbraw/zinc/86/17/07/1425861707.db2.gz OSZFTXCADDKJQF-MRXNPFEDSA-N 0 1 377.529 3.417 20 0 GGADMN Cc1c(O)ccc2c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc(=O)oc12 ZINC000171956861 1425861783 /nfs/dbraw/zinc/86/17/83/1425861783.db2.gz FFPXSKMFKKIHRW-LBPRGKRZSA-N 0 1 376.453 3.152 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000171956968 1425861829 /nfs/dbraw/zinc/86/18/29/1425861829.db2.gz OSZFTXCADDKJQF-INIZCTEOSA-N 0 1 377.529 3.417 20 0 GGADMN O=C(NCCc1ccc2ccccc2c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000171976892 1425866036 /nfs/dbraw/zinc/86/60/36/1425866036.db2.gz SBOVVXOZFYSKFY-HXUWFJFHSA-N 0 1 381.520 3.136 20 0 GGADMN O=C(NCCc1csc2ccccc12)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000171976993 1425866212 /nfs/dbraw/zinc/86/62/12/1425866212.db2.gz USTKWDYKEWJZDX-KRWDZBQOSA-N 0 1 387.549 3.198 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826250841 1425867208 /nfs/dbraw/zinc/86/72/08/1425867208.db2.gz VDDURMWFCIIQCT-UHFFFAOYSA-N 0 1 376.464 3.066 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000826372086 1425877198 /nfs/dbraw/zinc/87/71/98/1425877198.db2.gz HCMQMXPMWGRQEG-UHFFFAOYSA-N 0 1 378.411 3.074 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCc2ccc3c(c2)CCO3)N2CCCC2)o1 ZINC000172030193 1425878092 /nfs/dbraw/zinc/87/80/92/1425878092.db2.gz ZAWTYZHARSTGAC-IBGZPJMESA-N 0 1 383.492 3.202 20 0 GGADMN O=C1CCCN1Cc1ccccc1CN[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000172029298 1425878178 /nfs/dbraw/zinc/87/81/78/1425878178.db2.gz XMTMNJYPNMHELC-OAQYLSRUSA-N 0 1 395.478 3.233 20 0 GGADMN C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824592941 1425878562 /nfs/dbraw/zinc/87/85/62/1425878562.db2.gz PHPAZHRKZOUCSE-HNNXBMFYSA-N 0 1 392.463 3.027 20 0 GGADMN CN(CCc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000172049789 1425882355 /nfs/dbraw/zinc/88/23/55/1425882355.db2.gz LVRWBAKZUPJFHC-UHFFFAOYSA-N 0 1 387.892 3.190 20 0 GGADMN O=C(NCC1CCOCC1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172073304 1425889511 /nfs/dbraw/zinc/88/95/11/1425889511.db2.gz LCKXVUOPYMIKAW-QGZVFWFLSA-N 0 1 385.430 3.006 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)NC1CCSCC1 ZINC000172073876 1425889697 /nfs/dbraw/zinc/88/96/97/1425889697.db2.gz FAHJDBCLJVNGGP-INIZCTEOSA-N 0 1 387.471 3.475 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000172079284 1425891152 /nfs/dbraw/zinc/89/11/52/1425891152.db2.gz LLBMACLTPNQQSU-RHSMWYFYSA-N 0 1 385.430 3.100 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CN[C@H](C(=O)N(C)C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000172080888 1425891692 /nfs/dbraw/zinc/89/16/92/1425891692.db2.gz LQGLQRABNQMVBB-PWHSHALESA-N 0 1 395.547 3.215 20 0 GGADMN CN(C)C(=O)[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000172090876 1425894488 /nfs/dbraw/zinc/89/44/88/1425894488.db2.gz HULFOPLNXUQHFL-SFHVURJKSA-N 0 1 384.867 3.352 20 0 GGADMN CN(C)C(=O)[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000172090870 1425894684 /nfs/dbraw/zinc/89/46/84/1425894684.db2.gz HULFOPLNXUQHFL-GOSISDBHSA-N 0 1 384.867 3.352 20 0 GGADMN Cc1cc(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000172094207 1425895176 /nfs/dbraw/zinc/89/51/76/1425895176.db2.gz UFJQJQZWHIUVSM-UHFFFAOYSA-N 0 1 381.398 3.279 20 0 GGADMN C[C@H](C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1)N1CCCCCC1 ZINC000172106185 1425897190 /nfs/dbraw/zinc/89/71/90/1425897190.db2.gz MZMJDGOHQVDVRV-QGZVFWFLSA-N 0 1 380.492 3.215 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000172109934 1425898665 /nfs/dbraw/zinc/89/86/65/1425898665.db2.gz DCMDJCPFKLCVSX-CYBMUJFWSA-N 0 1 394.880 3.085 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000821732916 1425902071 /nfs/dbraw/zinc/90/20/71/1425902071.db2.gz XDVJAPCTRKEYLJ-UHFFFAOYSA-N 0 1 375.379 3.109 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000172122130 1425904014 /nfs/dbraw/zinc/90/40/14/1425904014.db2.gz WOLCERSKYRUXJZ-HNNXBMFYSA-N 0 1 389.546 3.183 20 0 GGADMN CC(C)n1cc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cn1 ZINC000172123147 1425904667 /nfs/dbraw/zinc/90/46/67/1425904667.db2.gz RETNFYCEUOVFPI-UHFFFAOYSA-N 0 1 378.480 3.471 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc(C)nc2C(C)C)N2CCCC2)c1 ZINC000172125477 1425906030 /nfs/dbraw/zinc/90/60/30/1425906030.db2.gz RSLATAZCJDHQFF-HXUWFJFHSA-N 0 1 382.508 3.484 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cnc(C)nc1C(C)C)N1CCCC1 ZINC000172125429 1425906470 /nfs/dbraw/zinc/90/64/70/1425906470.db2.gz ORQRSYQHNFNSSE-IBGZPJMESA-N 0 1 382.508 3.484 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 ZINC000172127276 1425907236 /nfs/dbraw/zinc/90/72/36/1425907236.db2.gz LKPSULCFWBCYBX-FQEVSTJZSA-N 0 1 377.504 3.104 20 0 GGADMN Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826292503 1425911364 /nfs/dbraw/zinc/91/13/64/1425911364.db2.gz XKPHZNRQJQXUAO-NRFANRHFSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C ZINC000826292503 1425911366 /nfs/dbraw/zinc/91/13/66/1425911366.db2.gz XKPHZNRQJQXUAO-NRFANRHFSA-N 0 1 393.491 3.326 20 0 GGADMN CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736214889 1425914771 /nfs/dbraw/zinc/91/47/71/1425914771.db2.gz WFNGOOWJOTYMFS-IBGZPJMESA-N 0 1 379.464 3.098 20 0 GGADMN CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736214889 1425914774 /nfs/dbraw/zinc/91/47/74/1425914774.db2.gz WFNGOOWJOTYMFS-IBGZPJMESA-N 0 1 379.464 3.098 20 0 GGADMN CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821505407 1425917059 /nfs/dbraw/zinc/91/70/59/1425917059.db2.gz PVMRBXWSCNILBX-ZDUSSCGKSA-N 0 1 399.524 3.216 20 0 GGADMN CC(=O)N(c1nc(CN2CCN(Cc3ccccc3C)CC2)cs1)C1CC1 ZINC000172152824 1425923834 /nfs/dbraw/zinc/92/38/34/1425923834.db2.gz YSWRWSKADQMPNC-UHFFFAOYSA-N 0 1 384.549 3.285 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000172158179 1425926079 /nfs/dbraw/zinc/92/60/79/1425926079.db2.gz NLPSSOISHMTSEZ-QWHCGFSZSA-N 0 1 383.895 3.433 20 0 GGADMN CCOC(=O)N[C@@H](C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C(C)C ZINC000172176097 1425935105 /nfs/dbraw/zinc/93/51/05/1425935105.db2.gz YHZARYCJWAVFSP-QGZVFWFLSA-N 0 1 381.436 3.334 20 0 GGADMN CCOC[C@@H](O)CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000172189165 1425939432 /nfs/dbraw/zinc/93/94/32/1425939432.db2.gz KFIBNORFQIDTEU-KBPBESRZSA-N 0 1 376.419 3.142 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(N2CCOCC2)c1)c1cccc2cccnc21 ZINC000172199490 1425943753 /nfs/dbraw/zinc/94/37/53/1425943753.db2.gz JQULRWSCWFYNPD-UHFFFAOYSA-N 0 1 387.436 3.011 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc2cccnc21 ZINC000172201915 1425944261 /nfs/dbraw/zinc/94/42/61/1425944261.db2.gz KPLJZVIGXDBERX-UHFFFAOYSA-N 0 1 387.480 3.126 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc2cccnc21 ZINC000172202869 1425945540 /nfs/dbraw/zinc/94/55/40/1425945540.db2.gz WQPYXHVRGLFZEJ-UHFFFAOYSA-N 0 1 387.480 3.126 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000172204048 1425945734 /nfs/dbraw/zinc/94/57/34/1425945734.db2.gz KSLKBKSNLVBOCD-CABCVRRESA-N 0 1 396.557 3.050 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cnc1Cl ZINC000172204557 1425946269 /nfs/dbraw/zinc/94/62/69/1425946269.db2.gz YDMQGYRNYVIETO-UHFFFAOYSA-N 0 1 381.885 3.291 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3-n3ccnn3)cc2)co1 ZINC000172204424 1425946340 /nfs/dbraw/zinc/94/63/40/1425946340.db2.gz GSXGWABFFHJFEK-UHFFFAOYSA-N 0 1 381.417 3.032 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000822732042 1425956301 /nfs/dbraw/zinc/95/63/01/1425956301.db2.gz HNBIZUKXZVNGDX-DZGCQCFKSA-N 0 1 381.452 3.328 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000822732042 1425956305 /nfs/dbraw/zinc/95/63/05/1425956305.db2.gz HNBIZUKXZVNGDX-DZGCQCFKSA-N 0 1 381.452 3.328 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(C2CC2)n[nH]1 ZINC000172230111 1425956871 /nfs/dbraw/zinc/95/68/71/1425956871.db2.gz QWYHXVYFJCXJPQ-HNNXBMFYSA-N 0 1 378.398 3.310 20 0 GGADMN CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353247 1425961754 /nfs/dbraw/zinc/96/17/54/1425961754.db2.gz ZNWJJHICSYPPNW-CRAIPNDOSA-N 0 1 381.480 3.081 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820722955 1425961741 /nfs/dbraw/zinc/96/17/41/1425961741.db2.gz SCGHXMRAEABAJA-ZBEGNZNMSA-N 0 1 386.456 3.089 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820722955 1425961745 /nfs/dbraw/zinc/96/17/45/1425961745.db2.gz SCGHXMRAEABAJA-ZBEGNZNMSA-N 0 1 386.456 3.089 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccccc1F ZINC000172243030 1425962642 /nfs/dbraw/zinc/96/26/42/1425962642.db2.gz CTNGSXSCHKQGNX-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000172243155 1425962939 /nfs/dbraw/zinc/96/29/39/1425962939.db2.gz XTOYXLAEKBILRS-UHFFFAOYSA-N 0 1 395.894 3.315 20 0 GGADMN O=C(CCCOCCc1ccccc1)NC1CCN(Cc2cccnc2)CC1 ZINC000172243818 1425963494 /nfs/dbraw/zinc/96/34/94/1425963494.db2.gz GXKSMOVRCBVUNG-UHFFFAOYSA-N 0 1 381.520 3.202 20 0 GGADMN COc1ccc(S[C@H](C)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000172246137 1425964340 /nfs/dbraw/zinc/96/43/40/1425964340.db2.gz GPTWEBMXJOVVCM-MRXNPFEDSA-N 0 1 385.533 3.352 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)C1(c2cccc(F)c2)CCOCC1 ZINC000172246166 1425964379 /nfs/dbraw/zinc/96/43/79/1425964379.db2.gz JNGRDTNLRPORBR-UHFFFAOYSA-N 0 1 397.494 3.050 20 0 GGADMN Cc1oc(-c2ccccc2)nc1CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172246610 1425964409 /nfs/dbraw/zinc/96/44/09/1425964409.db2.gz GUDLGOJWYQQMEX-UHFFFAOYSA-N 0 1 390.487 3.368 20 0 GGADMN O=C(Cc1ccc(OC(F)F)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000172245866 1425964425 /nfs/dbraw/zinc/96/44/25/1425964425.db2.gz JBIXSYDLWGPJHG-UHFFFAOYSA-N 0 1 375.419 3.006 20 0 GGADMN Cc1ccc(-c2nc(CC(=O)NC3CCN(Cc4cccnc4)CC3)cs2)o1 ZINC000172246076 1425964462 /nfs/dbraw/zinc/96/44/62/1425964462.db2.gz FBIFHSONACMIOY-UHFFFAOYSA-N 0 1 396.516 3.430 20 0 GGADMN O=c1c2ccccc2ncn1CCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000172248427 1425966036 /nfs/dbraw/zinc/96/60/36/1425966036.db2.gz RUCOSXRTSLCQRP-OAQYLSRUSA-N 0 1 397.906 3.496 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)[NH+]2CCCC2)cc1 ZINC000826284249 1425972244 /nfs/dbraw/zinc/97/22/44/1425972244.db2.gz NXGCGMNHDQWOJJ-FQEVSTJZSA-N 0 1 390.491 3.050 20 0 GGADMN O=C1NCCc2ccc(S(=O)(=O)Nc3ccccc3OC3CCCC3)cc21 ZINC000172275378 1425978075 /nfs/dbraw/zinc/97/80/75/1425978075.db2.gz KWPUGZPMDAPKTK-UHFFFAOYSA-N 0 1 386.473 3.095 20 0 GGADMN CS[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826226864 1425981136 /nfs/dbraw/zinc/98/11/36/1425981136.db2.gz HQZUSZUAILSIBM-IAGOWNOFSA-N 0 1 383.525 3.031 20 0 GGADMN Cc1[nH]ncc1C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000172293469 1425984061 /nfs/dbraw/zinc/98/40/61/1425984061.db2.gz JTWQWYLGGBQXHC-UHFFFAOYSA-N 0 1 391.218 3.320 20 0 GGADMN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295532 1425985243 /nfs/dbraw/zinc/98/52/43/1425985243.db2.gz MMDGWXITQBVJSI-UHFFFAOYSA-N 0 1 385.383 3.172 20 0 GGADMN CC(C)CS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295458 1425985289 /nfs/dbraw/zinc/98/52/89/1425985289.db2.gz UGLNQLZLMBPFHO-UHFFFAOYSA-N 0 1 386.477 3.024 20 0 GGADMN O=C(NCCN1CCCC1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000172303247 1425989354 /nfs/dbraw/zinc/98/93/54/1425989354.db2.gz QHRYIWZPSQSGSY-UHFFFAOYSA-N 0 1 394.500 3.114 20 0 GGADMN CCCC[C@@H](COC)NC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000172316273 1425993558 /nfs/dbraw/zinc/99/35/58/1425993558.db2.gz BNLRIBBCZKFRQT-WMZOPIPTSA-N 0 1 389.540 3.307 20 0 GGADMN CC[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2C1 ZINC000825120825 1425998787 /nfs/dbraw/zinc/99/87/87/1425998787.db2.gz NYTDFSVWXJWFRN-HRAATJIYSA-N 0 1 376.508 3.354 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc2c(c1)ncn2C ZINC000824261479 1426003369 /nfs/dbraw/zinc/00/33/69/1426003369.db2.gz LGXDSSIOWHOUMP-UHFFFAOYSA-N 0 1 375.480 3.412 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc2c(c1)ncn2C ZINC000824261479 1426003376 /nfs/dbraw/zinc/00/33/76/1426003376.db2.gz LGXDSSIOWHOUMP-UHFFFAOYSA-N 0 1 375.480 3.412 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc2c(c1)ncn2C ZINC000824261479 1426003379 /nfs/dbraw/zinc/00/33/79/1426003379.db2.gz LGXDSSIOWHOUMP-UHFFFAOYSA-N 0 1 375.480 3.412 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000172337355 1426005074 /nfs/dbraw/zinc/00/50/74/1426005074.db2.gz XKSLVARVFZUXCA-JXXFODFXSA-N 0 1 392.519 3.243 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)cc21 ZINC000172340132 1426006675 /nfs/dbraw/zinc/00/66/75/1426006675.db2.gz CUHRYROOKTYNLH-QGZVFWFLSA-N 0 1 385.512 3.193 20 0 GGADMN CCCN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000172348616 1426011549 /nfs/dbraw/zinc/01/15/49/1426011549.db2.gz GXHCZQXXKUKNRM-OAQYLSRUSA-N 0 1 395.503 3.208 20 0 GGADMN CC(C)[C@@H](CO)N(CCCS(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000172352415 1426011928 /nfs/dbraw/zinc/01/19/28/1426011928.db2.gz SZKUUDWQDDAXON-OAQYLSRUSA-N 0 1 375.534 3.370 20 0 GGADMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(C)C ZINC000172349737 1426012338 /nfs/dbraw/zinc/01/23/38/1426012338.db2.gz QGGSAFZUWKHGAS-CTNGQTDRSA-N 0 1 380.536 3.414 20 0 GGADMN CC(C)[C@H](CO)N(CCCS(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000172352419 1426012372 /nfs/dbraw/zinc/01/23/72/1426012372.db2.gz SZKUUDWQDDAXON-NRFANRHFSA-N 0 1 375.534 3.370 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(NC2CCN(Cc3ccncc3)CC2)nn1 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CCN(CCc1ccc(C)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000172414311 1426031811 /nfs/dbraw/zinc/03/18/11/1426031811.db2.gz OXRBEOUBPLLYBZ-UHFFFAOYSA-N 0 1 381.520 3.335 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000820706358 1426032566 /nfs/dbraw/zinc/03/25/66/1426032566.db2.gz YXWZOIYJRNZQPO-MRXNPFEDSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820706358 1426032580 /nfs/dbraw/zinc/03/25/80/1426032580.db2.gz YXWZOIYJRNZQPO-MRXNPFEDSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000820706358 1426032586 /nfs/dbraw/zinc/03/25/86/1426032586.db2.gz YXWZOIYJRNZQPO-MRXNPFEDSA-N 0 1 395.555 3.231 20 0 GGADMN C[C@@H]1SCC[N@@H+](CCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000736301646 1426033196 /nfs/dbraw/zinc/03/31/96/1426033196.db2.gz PNLYORUVOHAGLJ-KXBFYZLASA-N 0 1 381.505 3.424 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172423335 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3.193 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H](CCO)c1ccccc1 ZINC000172591777 1426103295 /nfs/dbraw/zinc/10/32/95/1426103295.db2.gz AQMWGXCRNADXTI-WOJBJXKFSA-N 0 1 385.508 3.272 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000172597043 1426106058 /nfs/dbraw/zinc/10/60/58/1426106058.db2.gz CSIGZRZGZGLYCU-UHFFFAOYSA-N 0 1 382.851 3.301 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)Cc2nnc[nH]2)cc1 ZINC000172618456 1426115316 /nfs/dbraw/zinc/11/53/16/1426115316.db2.gz CGMMPRWQZABJRG-UHFFFAOYSA-N 0 1 390.422 3.377 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000820428510 1426117836 /nfs/dbraw/zinc/11/78/36/1426117836.db2.gz XSBFXMNTKYDTJN-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1 ZINC000172625678 1426118199 /nfs/dbraw/zinc/11/81/99/1426118199.db2.gz RPDIZRHRKUMHDU-FUHWJXTLSA-N 0 1 375.415 3.299 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000172640296 1426122694 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GGADMN C[C@H]1Cc2ccccc2CN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000172671452 1426136931 /nfs/dbraw/zinc/13/69/31/1426136931.db2.gz WTYXTLUTWWQTBN-AWEZNQCLSA-N 0 1 379.485 3.049 20 0 GGADMN O=C(NCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1Cl ZINC000172684878 1426141944 /nfs/dbraw/zinc/14/19/44/1426141944.db2.gz QPPDZYIKJVAPSS-FQEVSTJZSA-N 0 1 399.922 3.241 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CCCO)c1ccccc1 ZINC000172689255 1426143584 /nfs/dbraw/zinc/14/35/84/1426143584.db2.gz NSJUGCQVXCPOSM-JOCHJYFZSA-N 0 1 396.535 3.382 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172692691 1426145706 /nfs/dbraw/zinc/14/57/06/1426145706.db2.gz GABHDSPXLDQKTQ-AWEZNQCLSA-N 0 1 381.904 3.467 20 0 GGADMN O=C(NC[C@@H](CCO)c1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000172694661 1426147045 /nfs/dbraw/zinc/14/70/45/1426147045.db2.gz NAXSADUTLNCUPF-HXUWFJFHSA-N 0 1 399.510 3.256 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)NC[C@@H](C)N3CCc4ccccc4C3)c2)o1 ZINC000172710360 1426153940 /nfs/dbraw/zinc/15/39/40/1426153940.db2.gz GRULBRKSYDIBNT-OAHLLOKOSA-N 0 1 376.460 3.222 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)NC[C@H](C)N3CCc4ccccc4C3)c2)o1 ZINC000172710364 1426154078 /nfs/dbraw/zinc/15/40/78/1426154078.db2.gz GRULBRKSYDIBNT-HNNXBMFYSA-N 0 1 376.460 3.222 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccn(Cc2ccccc2)n1 ZINC000172711888 1426154838 /nfs/dbraw/zinc/15/48/38/1426154838.db2.gz OLOBZUQJMAWMTA-UHFFFAOYSA-N 0 1 389.503 3.082 20 0 GGADMN COc1ccc(CC[C@H](C)NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000172713485 1426155539 /nfs/dbraw/zinc/15/55/39/1426155539.db2.gz QANDRKUXGWCRJR-IBGZPJMESA-N 0 1 395.547 3.194 20 0 GGADMN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1cccc(Cl)c1O ZINC000172715832 1426156980 /nfs/dbraw/zinc/15/69/80/1426156980.db2.gz UVFPCUZDURUWJM-UHFFFAOYSA-N 0 1 375.780 3.223 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000172722129 1426159988 /nfs/dbraw/zinc/15/99/88/1426159988.db2.gz NZQFOGISYGMKLQ-IRXDYDNUSA-N 0 1 376.522 3.153 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1sccc1C(N)=O ZINC000172725689 1426162217 /nfs/dbraw/zinc/16/22/17/1426162217.db2.gz WAGBXMDLRZBKCM-UWVGGRQHSA-N 0 1 396.310 3.287 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 ZINC000172731795 1426164632 /nfs/dbraw/zinc/16/46/32/1426164632.db2.gz TWQMWSARRGNZFP-UHFFFAOYSA-N 0 1 388.431 3.172 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H]3CCCOc4ccccc43)c2)CC1 ZINC000172733041 1426165280 /nfs/dbraw/zinc/16/52/80/1426165280.db2.gz AEYRMWPBSAOPSW-OAQYLSRUSA-N 0 1 379.504 3.078 20 0 GGADMN CC(C)COC[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccco1 ZINC000172734048 1426165952 /nfs/dbraw/zinc/16/59/52/1426165952.db2.gz DREQXVXEQBHVKO-OAQYLSRUSA-N 0 1 399.535 3.171 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000172743466 1426169898 /nfs/dbraw/zinc/16/98/98/1426169898.db2.gz DSIGBRCOVVLSEW-IBGZPJMESA-N 0 1 398.503 3.383 20 0 GGADMN COCCCOc1cccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000172761959 1426176001 /nfs/dbraw/zinc/17/60/01/1426176001.db2.gz ZTIRXBBZMJJULD-SFHVURJKSA-N 0 1 382.504 3.279 20 0 GGADMN c1cc(C[NH2+][C@@H]2CCCOCC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826515762 1426179386 /nfs/dbraw/zinc/17/93/86/1426179386.db2.gz JYGUWZVWIORXSL-LJQANCHMSA-N 0 1 379.464 3.104 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3oc(C)nc3C)CC2)c1C ZINC000172769875 1426180021 /nfs/dbraw/zinc/18/00/21/1426180021.db2.gz WWGHLKIYINZVOS-UHFFFAOYSA-N 0 1 386.496 3.048 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000172774475 1426181794 /nfs/dbraw/zinc/18/17/94/1426181794.db2.gz GBMCBBFZDLYMJY-QHCPKHFHSA-N 0 1 396.510 3.390 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCC2)ccc1C ZINC000172774317 1426181887 /nfs/dbraw/zinc/18/18/87/1426181887.db2.gz VAVGJLDSXXXHDX-UHFFFAOYSA-N 0 1 388.489 3.429 20 0 GGADMN CC(=O)Nc1cccc(OCCNC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000172774885 1426182620 /nfs/dbraw/zinc/18/26/20/1426182620.db2.gz FHDAWXCFJYCNHS-JOCHJYFZSA-N 0 1 395.503 3.195 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)c(C)o1 ZINC000172776732 1426183386 /nfs/dbraw/zinc/18/33/86/1426183386.db2.gz ZDHPMXVWQKCJFN-LJQANCHMSA-N 0 1 397.475 3.116 20 0 GGADMN COc1ccccc1CN1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172778029 1426183925 /nfs/dbraw/zinc/18/39/25/1426183925.db2.gz PGAAISVTLRJFCP-GOSISDBHSA-N 0 1 389.540 3.070 20 0 GGADMN COc1ccc(OC(C)C)c(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000172786624 1426188181 /nfs/dbraw/zinc/18/81/81/1426188181.db2.gz KKSGZKYEBCVZSP-UHFFFAOYSA-N 0 1 398.507 3.028 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000172790142 1426189855 /nfs/dbraw/zinc/18/98/55/1426189855.db2.gz XQYXAVHXRVAJPA-AUUYWEPGSA-N 0 1 394.450 3.432 20 0 GGADMN Cn1c(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)nc2cc(F)ccc21 ZINC000172793549 1426191065 /nfs/dbraw/zinc/19/10/65/1426191065.db2.gz OQHYDSYKWGZSAI-OAQYLSRUSA-N 0 1 394.494 3.426 20 0 GGADMN Cn1c(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)nc2ccc(F)cc21 ZINC000172800650 1426195576 /nfs/dbraw/zinc/19/55/76/1426195576.db2.gz KIJNWELNXBXBBC-FQEVSTJZSA-N 0 1 394.494 3.426 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCC3(Sc4ccccc4)CC3)c2)CC1 ZINC000172803198 1426196057 /nfs/dbraw/zinc/19/60/57/1426196057.db2.gz WXNWQSFMNIIZMD-UHFFFAOYSA-N 0 1 395.572 3.489 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736235368 1426199177 /nfs/dbraw/zinc/19/91/77/1426199177.db2.gz NUPPMYDPGJYRSB-QAPCUYQASA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736235368 1426199181 /nfs/dbraw/zinc/19/91/81/1426199181.db2.gz NUPPMYDPGJYRSB-QAPCUYQASA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736235368 1426199184 /nfs/dbraw/zinc/19/91/84/1426199184.db2.gz NUPPMYDPGJYRSB-QAPCUYQASA-N 0 1 376.464 3.073 20 0 GGADMN CSc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826230955 1426202989 /nfs/dbraw/zinc/20/29/89/1426202989.db2.gz QMNSTMFNUZWUKT-UHFFFAOYSA-N 0 1 381.509 3.060 20 0 GGADMN C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820241890 1426204364 /nfs/dbraw/zinc/20/43/64/1426204364.db2.gz JQCLEIJWWSKNEM-AWEZNQCLSA-N 0 1 395.467 3.121 20 0 GGADMN CCN(CC)[C@@H](C[NH2+]Cc1cc(-c2nn[n-]n2)cs1)c1cccc(OC)c1 ZINC000821180509 1426213769 /nfs/dbraw/zinc/21/37/69/1426213769.db2.gz DMJHXNXKCKNKOS-SFHVURJKSA-N 0 1 386.525 3.110 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736637254 1426219452 /nfs/dbraw/zinc/21/94/52/1426219452.db2.gz VDKMFFCCJJLIIV-UHFFFAOYSA-N 0 1 379.464 3.222 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736637254 1426219462 /nfs/dbraw/zinc/21/94/62/1426219462.db2.gz VDKMFFCCJJLIIV-UHFFFAOYSA-N 0 1 379.464 3.222 20 0 GGADMN C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736301742 1426225178 /nfs/dbraw/zinc/22/51/78/1426225178.db2.gz DNKALRXHBQIRSV-NSHDSACASA-N 0 1 386.456 3.015 20 0 GGADMN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000172868198 1426230292 /nfs/dbraw/zinc/23/02/92/1426230292.db2.gz ZCIVNWQAINSZES-UHFFFAOYSA-N 0 1 394.500 3.408 20 0 GGADMN C[C@H](C(=O)N1CC[C@@H](COCc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000172869429 1426231014 /nfs/dbraw/zinc/23/10/14/1426231014.db2.gz VZRVKXRBSYWKSZ-TZIWHRDSSA-N 0 1 378.516 3.499 20 0 GGADMN CC/C(=C\C(=O)NCc1cccnc1N1CCN(C)CC1)c1ccc(C)cc1 ZINC000172876083 1426234338 /nfs/dbraw/zinc/23/43/38/1426234338.db2.gz DIQXDSJESFWWCE-KNTRCKAVSA-N 0 1 378.520 3.252 20 0 GGADMN CNC(=O)Cn1ccc2ccc(NS(=O)(=O)c3ccc(C)cc3Cl)cc21 ZINC000172898979 1426246103 /nfs/dbraw/zinc/24/61/03/1426246103.db2.gz AKGIWOKYMMYCND-UHFFFAOYSA-N 0 1 391.880 3.150 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000824585777 1426248976 /nfs/dbraw/zinc/24/89/76/1426248976.db2.gz SZZAUEVSUMDZMY-NSHDSACASA-N 0 1 388.834 3.339 20 0 GGADMN C[C@H]1Cc2ccccc2CN1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000172906394 1426252205 /nfs/dbraw/zinc/25/22/05/1426252205.db2.gz UETUGOAXMVZLOS-SFHVURJKSA-N 0 1 391.515 3.311 20 0 GGADMN O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826456736 1426273059 /nfs/dbraw/zinc/27/30/59/1426273059.db2.gz UOLZZMWQZYMQDV-UHFFFAOYSA-N 0 1 398.417 3.036 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCOCC(F)(F)F)c2ccccc2)c1 ZINC000172942626 1426276949 /nfs/dbraw/zinc/27/69/49/1426276949.db2.gz XKOUQYNVPVTVAN-QGZVFWFLSA-N 0 1 387.423 3.348 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccs1 ZINC000172947298 1426280280 /nfs/dbraw/zinc/28/02/80/1426280280.db2.gz XUXIKHHNDYOAMC-JKSUJKDBSA-N 0 1 391.924 3.174 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)c1cccs1 ZINC000172947259 1426280477 /nfs/dbraw/zinc/28/04/77/1426280477.db2.gz AHAQZUWKCMDIGN-CQSZACIVSA-N 0 1 399.472 3.207 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)N2CCCC2)c1 ZINC000172956613 1426283183 /nfs/dbraw/zinc/28/31/83/1426283183.db2.gz LUJNBMDJTDVEKL-AOMKIAJQSA-N 0 1 398.551 3.177 20 0 GGADMN CC1(C)[C@@H]2CN(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)C[C@@H]21 ZINC000172956740 1426283270 /nfs/dbraw/zinc/28/32/70/1426283270.db2.gz SCXDZWNILBSMOI-GASCZTMLSA-N 0 1 397.441 3.068 20 0 GGADMN Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737331579 1426283787 /nfs/dbraw/zinc/28/37/87/1426283787.db2.gz PSZMECTWQSKIBN-FQEVSTJZSA-N 0 1 390.491 3.019 20 0 GGADMN O=c1[nH]c(Oc2c(F)c(F)cc(F)c2F)nc2c1cnn2-c1ccccc1 ZINC000172972528 1426289822 /nfs/dbraw/zinc/28/98/22/1426289822.db2.gz ZMJWIDDORUUWBK-UHFFFAOYSA-N 0 1 376.269 3.458 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529868 1426292052 /nfs/dbraw/zinc/29/20/52/1426292052.db2.gz IHKSOXJTFUGERI-STQMWFEESA-N 0 1 396.426 3.374 20 0 GGADMN O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000172982361 1426292482 /nfs/dbraw/zinc/29/24/82/1426292482.db2.gz CCESOTRJZPQSCD-UHFFFAOYSA-N 0 1 379.395 3.388 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccccc2-c2nc(C)no2)N(C)C)c1 ZINC000172981679 1426292627 /nfs/dbraw/zinc/29/26/27/1426292627.db2.gz QRNOPXAEFNXJPD-IBGZPJMESA-N 0 1 380.448 3.086 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000172982246 1426292660 /nfs/dbraw/zinc/29/26/60/1426292660.db2.gz JVEAIGQRHBZWRE-UHFFFAOYSA-N 0 1 375.860 3.369 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000172982714 1426293647 /nfs/dbraw/zinc/29/36/47/1426293647.db2.gz GTZHNKSUSVQCHY-UHFFFAOYSA-N 0 1 396.476 3.024 20 0 GGADMN CC(C)CC(=O)Nc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000173010642 1426306563 /nfs/dbraw/zinc/30/65/63/1426306563.db2.gz VGCCLRPDNXILOR-HZPDHXFCSA-N 0 1 393.503 3.039 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000173010658 1426306732 /nfs/dbraw/zinc/30/67/32/1426306732.db2.gz DIJSOKTXIKXONU-QZTJIDSGSA-N 0 1 389.540 3.209 20 0 GGADMN COc1ccc2sc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)c(C)c2c1 ZINC000173010393 1426306950 /nfs/dbraw/zinc/30/69/50/1426306950.db2.gz GXRNGDVGCCQQHU-KBPBESRZSA-N 0 1 376.522 3.447 20 0 GGADMN O=c1c2ccccc2ncn1CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000173035343 1426317382 /nfs/dbraw/zinc/31/73/82/1426317382.db2.gz LFAXPKCPWMLXPC-UHFFFAOYSA-N 0 1 385.399 3.252 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cccs1 ZINC000173082385 1426335206 /nfs/dbraw/zinc/33/52/06/1426335206.db2.gz YIGUMFLZANKWAE-CQSZACIVSA-N 0 1 393.509 3.399 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173084985 1426335535 /nfs/dbraw/zinc/33/55/35/1426335535.db2.gz WVWGUOVZXCHEDL-IAGOWNOFSA-N 0 1 391.512 3.322 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173084989 1426335740 /nfs/dbraw/zinc/33/57/40/1426335740.db2.gz WVWGUOVZXCHEDL-DLBZAZTESA-N 0 1 391.512 3.322 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000173085335 1426336452 /nfs/dbraw/zinc/33/64/52/1426336452.db2.gz JPGSDZMJNOMOHH-FQEVSTJZSA-N 0 1 395.503 3.429 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)c3ccc(OCC4CCCCC4)cc3)CCO2)n[nH]1 ZINC000173088698 1426337882 /nfs/dbraw/zinc/33/78/82/1426337882.db2.gz PGTUUDVQHXMHRH-LJQANCHMSA-N 0 1 384.480 3.286 20 0 GGADMN Clc1ccccc1CN1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822585772 1426339881 /nfs/dbraw/zinc/33/98/81/1426339881.db2.gz NBENEJOZIDCPCR-UHFFFAOYSA-N 0 1 382.899 3.274 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)c3ccc(OC4CCCCC4)cc3)CCO2)n[nH]1 ZINC000173098807 1426341038 /nfs/dbraw/zinc/34/10/38/1426341038.db2.gz GWUVNLORLZLSHC-GOSISDBHSA-N 0 1 384.480 3.292 20 0 GGADMN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000173099130 1426341552 /nfs/dbraw/zinc/34/15/52/1426341552.db2.gz ISFUOFKMABYATP-MRXNPFEDSA-N 0 1 390.915 3.298 20 0 GGADMN COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000173104754 1426343966 /nfs/dbraw/zinc/34/39/66/1426343966.db2.gz MWWISAABKUZXNC-HNNXBMFYSA-N 0 1 383.492 3.063 20 0 GGADMN COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000173104761 1426344015 /nfs/dbraw/zinc/34/40/15/1426344015.db2.gz MWWISAABKUZXNC-OAHLLOKOSA-N 0 1 383.492 3.063 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000173105884 1426344383 /nfs/dbraw/zinc/34/43/83/1426344383.db2.gz SMGQXHMQUPJEMK-UHFFFAOYSA-N 0 1 380.473 3.223 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)nc2)CC1 ZINC000173118353 1426351292 /nfs/dbraw/zinc/35/12/92/1426351292.db2.gz STUIIBLPEGJFGH-UHFFFAOYSA-N 0 1 379.439 3.220 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cccc(F)c1Cl ZINC000173132239 1426355792 /nfs/dbraw/zinc/35/57/92/1426355792.db2.gz AKRRTFWJAXOOPZ-UHFFFAOYSA-N 0 1 375.875 3.027 20 0 GGADMN COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@]34CCCc3ccccc34)CC2)c1 ZINC000173142684 1426362570 /nfs/dbraw/zinc/36/25/70/1426362570.db2.gz VRNRAHYRKSQJMW-REWPJTCUSA-N 0 1 377.488 3.033 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1F ZINC000173156388 1426369650 /nfs/dbraw/zinc/36/96/50/1426369650.db2.gz IUMJMIASDXARPF-HXUWFJFHSA-N 0 1 392.446 3.161 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)C[C@@H](C)O)N1CCCCC1 ZINC000173160213 1426370984 /nfs/dbraw/zinc/37/09/84/1426370984.db2.gz JUAJYCYKBDKIHX-IEBWSBKVSA-N 0 1 391.556 3.319 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)c3cccc(N[C@H](C)C(C)C)c3C)C2)CC1 ZINC000173166175 1426373424 /nfs/dbraw/zinc/37/34/24/1426373424.db2.gz IRWSQQHUVNQLJP-UXHICEINSA-N 0 1 386.584 3.303 20 0 GGADMN CC[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)N1CCCC1=O ZINC000173168473 1426374839 /nfs/dbraw/zinc/37/48/39/1426374839.db2.gz CRJLTBRNQFEVKX-LJQANCHMSA-N 0 1 391.943 3.069 20 0 GGADMN C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C1(N2CCOCC2)CCCC1 ZINC000173177380 1426379030 /nfs/dbraw/zinc/37/90/30/1426379030.db2.gz ZEDXSYURZGIFCT-OAHLLOKOSA-N 0 1 384.442 3.398 20 0 GGADMN COc1ccc(SCCC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)cc1 ZINC000173178897 1426379475 /nfs/dbraw/zinc/37/94/75/1426379475.db2.gz VKIWCRXILWPLCZ-QGZVFWFLSA-N 0 1 392.565 3.327 20 0 GGADMN COc1ccc(SCCC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)cc1 ZINC000173178887 1426379655 /nfs/dbraw/zinc/37/96/55/1426379655.db2.gz VKIWCRXILWPLCZ-KRWDZBQOSA-N 0 1 392.565 3.327 20 0 GGADMN C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)C1(N2CCOCC2)CCCC1 ZINC000173178075 1426379844 /nfs/dbraw/zinc/37/98/44/1426379844.db2.gz GURSODHGZKPUGH-HNNXBMFYSA-N 0 1 379.570 3.133 20 0 GGADMN C[C@H](NC(=O)CCCOc1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000173183865 1426381709 /nfs/dbraw/zinc/38/17/09/1426381709.db2.gz VEPDWNYMGDMUAE-KRWDZBQOSA-N 0 1 378.488 3.134 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000173190035 1426383968 /nfs/dbraw/zinc/38/39/68/1426383968.db2.gz SQPIFQQXBDKGJK-UHFFFAOYSA-N 0 1 389.459 3.375 20 0 GGADMN C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC[N@H+]1Cc1ccccc1 ZINC000173206510 1426393631 /nfs/dbraw/zinc/39/36/31/1426393631.db2.gz JNHXRQFOXQHIIM-GOSISDBHSA-N 0 1 390.487 3.315 20 0 GGADMN O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173207895 1426394476 /nfs/dbraw/zinc/39/44/76/1426394476.db2.gz WASSIRZNEYCHCY-LJQANCHMSA-N 0 1 399.560 3.274 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173211685 1426396209 /nfs/dbraw/zinc/39/62/09/1426396209.db2.gz QGVWMSKZGQOHOA-HNNXBMFYSA-N 0 1 393.940 3.252 20 0 GGADMN O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173212072 1426397210 /nfs/dbraw/zinc/39/72/10/1426397210.db2.gz ULMPJBHFBNYCSU-KRWDZBQOSA-N 0 1 395.434 3.029 20 0 GGADMN O=C(Nc1cc(F)ccc1Oc1ccccc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173212085 1426397247 /nfs/dbraw/zinc/39/72/47/1426397247.db2.gz ULMPJBHFBNYCSU-QGZVFWFLSA-N 0 1 395.434 3.029 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173213799 1426397675 /nfs/dbraw/zinc/39/76/75/1426397675.db2.gz UOTRAIPNFUAWME-AWEZNQCLSA-N 0 1 393.940 3.252 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173213815 1426397841 /nfs/dbraw/zinc/39/78/41/1426397841.db2.gz UOTRAIPNFUAWME-CQSZACIVSA-N 0 1 393.940 3.252 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)cc2)cc1 ZINC000173217771 1426399614 /nfs/dbraw/zinc/39/96/14/1426399614.db2.gz GALYRAVZQDBEDF-LJQANCHMSA-N 0 1 391.471 3.199 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H]3CCN(c4ccccc4)C3=O)ccc2NC1=O ZINC000173223375 1426406409 /nfs/dbraw/zinc/40/64/09/1426406409.db2.gz ATHWQCRNXVDFOW-ZMYBRWDISA-N 0 1 379.460 3.252 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3ccc(C)cc3)ccc2NC1=O ZINC000173223339 1426406595 /nfs/dbraw/zinc/40/65/95/1426406595.db2.gz KSSAWKUHHORICC-FTRWYGJKSA-N 0 1 395.503 3.460 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc3ccccc3)ccc2NC1=O ZINC000173224030 1426408239 /nfs/dbraw/zinc/40/82/39/1426408239.db2.gz PPQQQUXXVRPVQX-GUXCAODWSA-N 0 1 395.503 3.494 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)Nc3ccnn3C(C)C)ccc2NC1=O ZINC000173224533 1426408868 /nfs/dbraw/zinc/40/88/68/1426408868.db2.gz RETVHDQHVXRJLZ-ZQIUZPCESA-N 0 1 399.495 3.251 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3ccccc3F)ccc2NC1=O ZINC000173225129 1426409573 /nfs/dbraw/zinc/40/95/73/1426409573.db2.gz QBNMADGKXZIUSL-NJSLBKSFSA-N 0 1 399.466 3.291 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3ccccc3F)ccc2NC1=O ZINC000173225100 1426410257 /nfs/dbraw/zinc/41/02/57/1426410257.db2.gz QBNMADGKXZIUSL-TYILLQQXSA-N 0 1 399.466 3.291 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000173227723 1426412232 /nfs/dbraw/zinc/41/22/32/1426412232.db2.gz GTQCAJWVDXFGQU-VCBZYWHSSA-N 0 1 381.476 3.152 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000173227711 1426412245 /nfs/dbraw/zinc/41/22/45/1426412245.db2.gz GTQCAJWVDXFGQU-ZRGWGRIASA-N 0 1 381.476 3.152 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3cccs3)ccc2NC1=O ZINC000173228498 1426413027 /nfs/dbraw/zinc/41/30/27/1426413027.db2.gz GPIIFCFYLGSLPU-IIYDPXPESA-N 0 1 387.505 3.213 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3cccs3)ccc2NC1=O ZINC000173228541 1426413901 /nfs/dbraw/zinc/41/39/01/1426413901.db2.gz GPIIFCFYLGSLPU-DCGLDWPTSA-N 0 1 387.505 3.213 20 0 GGADMN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)N1CCN(CC2CC2)CC1 ZINC000173230223 1426414268 /nfs/dbraw/zinc/41/42/68/1426414268.db2.gz WGDSYPCZWRPWQD-UHFFFAOYSA-N 0 1 397.479 3.086 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820708968 1426416199 /nfs/dbraw/zinc/41/61/99/1426416199.db2.gz AYWQYIYCUWZQHK-MRXNPFEDSA-N 0 1 390.491 3.280 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820708968 1426416201 /nfs/dbraw/zinc/41/62/01/1426416201.db2.gz AYWQYIYCUWZQHK-MRXNPFEDSA-N 0 1 390.491 3.280 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820708968 1426416204 /nfs/dbraw/zinc/41/62/04/1426416204.db2.gz AYWQYIYCUWZQHK-MRXNPFEDSA-N 0 1 390.491 3.280 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc21 ZINC000173231753 1426416890 /nfs/dbraw/zinc/41/68/90/1426416890.db2.gz IAVUBJKBJOONSF-FQEVSTJZSA-N 0 1 392.503 3.382 20 0 GGADMN CC(C)(C)Oc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000173233341 1426419659 /nfs/dbraw/zinc/41/96/59/1426419659.db2.gz XDQQAEKVQQCABQ-UHFFFAOYSA-N 0 1 382.508 3.410 20 0 GGADMN COc1ccc([C@@H](C)CCNC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000173239531 1426424010 /nfs/dbraw/zinc/42/40/10/1426424010.db2.gz BDRZNIYHQBNNTL-IBGZPJMESA-N 0 1 395.547 3.366 20 0 GGADMN C[C@@H]([NH2+]CCC1OCCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824584759 1426425142 /nfs/dbraw/zinc/42/51/42/1426425142.db2.gz GOBJAFOZIKTSJW-OAHLLOKOSA-N 0 1 379.464 3.337 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1ccnc(Oc2ccccc2)c1)N1CCN(C)CC1 ZINC000173250506 1426430716 /nfs/dbraw/zinc/43/07/16/1426430716.db2.gz MASRTZKKANDHOO-HXUWFJFHSA-N 0 1 397.523 3.267 20 0 GGADMN Cc1cnc([C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C2CC2)s1 ZINC000173262583 1426441690 /nfs/dbraw/zinc/44/16/90/1426441690.db2.gz IWUPDZUDXSZAGI-HXUWFJFHSA-N 0 1 384.549 3.231 20 0 GGADMN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000173264755 1426443863 /nfs/dbraw/zinc/44/38/63/1426443863.db2.gz WGKGWFCLMHMUOU-IBGZPJMESA-N 0 1 392.547 3.167 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000823779784 1426455987 /nfs/dbraw/zinc/45/59/87/1426455987.db2.gz JETDEASHZFDGEZ-UHFFFAOYSA-N 0 1 382.518 3.460 20 0 GGADMN CN(CCCc1cc(-c2ccccc2)no1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173281459 1426458968 /nfs/dbraw/zinc/45/89/68/1426458968.db2.gz XGNVTEMJVUXBCF-FQEVSTJZSA-N 0 1 393.491 3.135 20 0 GGADMN CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820861819 1426460498 /nfs/dbraw/zinc/46/04/98/1426460498.db2.gz OAQTVDILGPFPOC-ZDUSSCGKSA-N 0 1 382.443 3.280 20 0 GGADMN C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@H]1c1ccccc1 ZINC000173283721 1426460662 /nfs/dbraw/zinc/46/06/62/1426460662.db2.gz MZCPSQWQTDKDGY-IFMALSPDSA-N 0 1 392.547 3.246 20 0 GGADMN C[N@@H+](CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736802180 1426467092 /nfs/dbraw/zinc/46/70/92/1426467092.db2.gz YGPKRAPCKRHAEK-UHFFFAOYSA-N 0 1 383.422 3.347 20 0 GGADMN C[N@H+](CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736802180 1426467095 /nfs/dbraw/zinc/46/70/95/1426467095.db2.gz YGPKRAPCKRHAEK-UHFFFAOYSA-N 0 1 383.422 3.347 20 0 GGADMN C[N@@H+](CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000736802180 1426467100 /nfs/dbraw/zinc/46/71/00/1426467100.db2.gz YGPKRAPCKRHAEK-UHFFFAOYSA-N 0 1 383.422 3.347 20 0 GGADMN Cc1cncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c1 ZINC000173289102 1426467549 /nfs/dbraw/zinc/46/75/49/1426467549.db2.gz DPVGUSIIAPEKEV-UHFFFAOYSA-N 0 1 378.398 3.413 20 0 GGADMN CN1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826021702 1426467752 /nfs/dbraw/zinc/46/77/52/1426467752.db2.gz DMADQMSWOJTJOS-SJCJKPOMSA-N 0 1 390.850 3.035 20 0 GGADMN Cn1c(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc2cc(F)ccc21 ZINC000826355434 1426468100 /nfs/dbraw/zinc/46/81/00/1426468100.db2.gz ZJPAPZISBOTDGD-QGZVFWFLSA-N 0 1 391.454 3.102 20 0 GGADMN C(=Cc1ccccc1)C[NH+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735391752 1426469038 /nfs/dbraw/zinc/46/90/38/1426469038.db2.gz XLENAJGYTGMFPE-RMKNXTFCSA-N 0 1 397.486 3.250 20 0 GGADMN CC[NH+](CC)Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825415921 1426470078 /nfs/dbraw/zinc/47/00/78/1426470078.db2.gz FTXRSCIRJQOOLO-UHFFFAOYSA-N 0 1 390.491 3.128 20 0 GGADMN Cc1ccc(C)c(OCCCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826285216 1426473169 /nfs/dbraw/zinc/47/31/69/1426473169.db2.gz SBCUSWIIWZUPBY-OAQYLSRUSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826285216 1426473173 /nfs/dbraw/zinc/47/31/73/1426473173.db2.gz SBCUSWIIWZUPBY-OAQYLSRUSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(C)c(OCCC[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826285216 1426473175 /nfs/dbraw/zinc/47/31/75/1426473175.db2.gz SBCUSWIIWZUPBY-OAQYLSRUSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1 ZINC000173297236 1426478900 /nfs/dbraw/zinc/47/89/00/1426478900.db2.gz HGJYPKOOJNDACL-UHFFFAOYSA-N 0 1 395.488 3.437 20 0 GGADMN C[C@@H]1CN(C(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000173302300 1426484208 /nfs/dbraw/zinc/48/42/08/1426484208.db2.gz GGHFIVXOKBUPTB-BGYRXZFFSA-N 0 1 396.531 3.096 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCN(C)c4ccccc4C3)c2c1 ZINC000822195530 1426486877 /nfs/dbraw/zinc/48/68/77/1426486877.db2.gz UUOPJHKGLWZHQK-UHFFFAOYSA-N 0 1 385.475 3.488 20 0 GGADMN CCOCc1ccccc1CN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173306090 1426487277 /nfs/dbraw/zinc/48/72/77/1426487277.db2.gz QXEYEYJJVHXATF-MRXNPFEDSA-N 0 1 376.522 3.324 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000455 1426489180 /nfs/dbraw/zinc/48/91/80/1426489180.db2.gz FIICOBWTHVMWBL-SFHVURJKSA-N 0 1 387.447 3.426 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000455 1426489182 /nfs/dbraw/zinc/48/91/82/1426489182.db2.gz FIICOBWTHVMWBL-SFHVURJKSA-N 0 1 387.447 3.426 20 0 GGADMN CN(C)C(=O)C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000825841244 1426489192 /nfs/dbraw/zinc/48/91/92/1426489192.db2.gz ULRHHCBKRZOFDN-VQTJNVASSA-N 0 1 390.491 3.053 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824948696 1426489284 /nfs/dbraw/zinc/48/92/84/1426489284.db2.gz VAJADYTYGZTUKS-DOMZBBRYSA-N 0 1 392.529 3.053 20 0 GGADMN CNC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000173307644 1426489772 /nfs/dbraw/zinc/48/97/72/1426489772.db2.gz SIVLFELIKXYIJA-UHFFFAOYSA-N 0 1 377.448 3.381 20 0 GGADMN CC(C)c1nnnn1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000173309873 1426493201 /nfs/dbraw/zinc/49/32/01/1426493201.db2.gz DAYMLCZGXLWQTM-UHFFFAOYSA-N 0 1 379.399 3.118 20 0 GGADMN COc1ccc([C@H](C)CCNC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000173319449 1426502489 /nfs/dbraw/zinc/50/24/89/1426502489.db2.gz KTZGWDRBBRUITP-GFCCVEGCSA-N 0 1 383.473 3.144 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000821651855 1426506219 /nfs/dbraw/zinc/50/62/19/1426506219.db2.gz HMQDCALRKACZIF-KNBMTAEXSA-N 0 1 391.475 3.034 20 0 GGADMN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000173326446 1426508856 /nfs/dbraw/zinc/50/88/56/1426508856.db2.gz WCTIXWYCPYSSSB-UHFFFAOYSA-N 0 1 386.314 3.365 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541299 1426510197 /nfs/dbraw/zinc/51/01/97/1426510197.db2.gz NBNQTPSXSVFMCB-QKKBWIMNSA-N 0 1 394.479 3.067 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000822541299 1426510203 /nfs/dbraw/zinc/51/02/03/1426510203.db2.gz NBNQTPSXSVFMCB-QKKBWIMNSA-N 0 1 394.479 3.067 20 0 GGADMN CC(C)c1nnnn1CC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000173329166 1426511702 /nfs/dbraw/zinc/51/17/02/1426511702.db2.gz JRSNTOIYYOZMJK-UHFFFAOYSA-N 0 1 393.426 3.041 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000737146662 1426513455 /nfs/dbraw/zinc/51/34/55/1426513455.db2.gz ITYGGORQGAQWAF-IBGZPJMESA-N 0 1 379.464 3.481 20 0 GGADMN COc1ccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000173336526 1426516743 /nfs/dbraw/zinc/51/67/43/1426516743.db2.gz CCFCUDLGVAJCNZ-HUUCEWRRSA-N 0 1 392.521 3.366 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cnc3ccc(-c4nnn[n-]4)cn13)CCC2 ZINC000825750806 1426518662 /nfs/dbraw/zinc/51/86/62/1426518662.db2.gz XTKNSEGDSTYHKT-HNNXBMFYSA-N 0 1 394.508 3.043 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cnc3ccc(-c4nnn[n-]4)cn13)CCC2 ZINC000825750806 1426518666 /nfs/dbraw/zinc/51/86/66/1426518666.db2.gz XTKNSEGDSTYHKT-HNNXBMFYSA-N 0 1 394.508 3.043 20 0 GGADMN Cc1[nH+]ccn1[C@H]1CCCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000822478556 1426519346 /nfs/dbraw/zinc/51/93/46/1426519346.db2.gz UFJVMEMJLQIUIH-ZDUSSCGKSA-N 0 1 377.374 3.232 20 0 GGADMN C[C@H](CCNC(=S)Nc1ccccc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820242927 1426523868 /nfs/dbraw/zinc/52/38/68/1426523868.db2.gz RETRIMOSNLVMMK-OAHLLOKOSA-N 0 1 395.536 3.064 20 0 GGADMN C[C@H](CCNC(=S)Nc1ccccc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820242927 1426523869 /nfs/dbraw/zinc/52/38/69/1426523869.db2.gz RETRIMOSNLVMMK-OAHLLOKOSA-N 0 1 395.536 3.064 20 0 GGADMN C[C@H](CCNC(=S)Nc1ccccc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820242927 1426523871 /nfs/dbraw/zinc/52/38/71/1426523871.db2.gz RETRIMOSNLVMMK-OAHLLOKOSA-N 0 1 395.536 3.064 20 0 GGADMN Cc1cc([C@](C)(O)CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(C)o1 ZINC000173348204 1426525803 /nfs/dbraw/zinc/52/58/03/1426525803.db2.gz PVERQKYMMHICTI-WIYYLYMNSA-N 0 1 389.496 3.223 20 0 GGADMN COc1ccc([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1OC ZINC000173351855 1426528859 /nfs/dbraw/zinc/52/88/59/1426528859.db2.gz PDADXMMTUFYKNK-OXJNMPFZSA-N 0 1 398.503 3.463 20 0 GGADMN CN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C[C@H]1CCCOC1 ZINC000173351716 1426529100 /nfs/dbraw/zinc/52/91/00/1426529100.db2.gz JMJHRBQNEBWBBZ-OAHLLOKOSA-N 0 1 377.485 3.170 20 0 GGADMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(Cl)nc2Cl)o1 ZINC000173353755 1426529824 /nfs/dbraw/zinc/52/98/24/1426529824.db2.gz SPNNXRXIKABSRD-SNVBAGLBSA-N 0 1 379.265 3.210 20 0 GGADMN Cc1cnc([C@@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)C2CC2)s1 ZINC000173356515 1426532095 /nfs/dbraw/zinc/53/20/95/1426532095.db2.gz OPBKGQUZGJURNP-KRWDZBQOSA-N 0 1 392.569 3.237 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@H](O)C2)N2CCCCC2)cc1 ZINC000173358255 1426532861 /nfs/dbraw/zinc/53/28/61/1426532861.db2.gz VBFUKZZONNTTQT-LMNJBCLMSA-N 0 1 389.540 3.073 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000173360280 1426534276 /nfs/dbraw/zinc/53/42/76/1426534276.db2.gz OAIOFLOOONWTAA-LJQANCHMSA-N 0 1 395.547 3.146 20 0 GGADMN COc1ccc([C@H](CNC(=O)N([C@@H](C)C2CC2)C2CC2)N(C)C)cc1OC ZINC000173363746 1426536949 /nfs/dbraw/zinc/53/69/49/1426536949.db2.gz PUDASYFXFDRPJV-KSSFIOAISA-N 0 1 375.513 3.279 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC3(CCCC3)C2)N(C)C)cc1OC ZINC000173363984 1426537130 /nfs/dbraw/zinc/53/71/30/1426537130.db2.gz WGZFOYARAXECMS-KRWDZBQOSA-N 0 1 375.513 3.282 20 0 GGADMN c1c2c([nH+]c(N3CCC(OCC4CCCCC4)CC3)c1-c1nnn[n-]1)CCC2 ZINC000823737465 1426538341 /nfs/dbraw/zinc/53/83/41/1426538341.db2.gz FAJJNXCYAUVNCK-UHFFFAOYSA-N 0 1 382.512 3.316 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)CCc2cccs2)N(C)C)cc1OC ZINC000173364216 1426538568 /nfs/dbraw/zinc/53/85/68/1426538568.db2.gz HHZWBKJWYGCPSJ-KRWDZBQOSA-N 0 1 391.537 3.252 20 0 GGADMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825313657 1426549039 /nfs/dbraw/zinc/54/90/39/1426549039.db2.gz NKIDHCDNTMJDJP-UHFFFAOYSA-N 0 1 379.443 3.108 20 0 GGADMN CCC[N@H+](CCc1cccc(F)c1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825313657 1426549043 /nfs/dbraw/zinc/54/90/43/1426549043.db2.gz NKIDHCDNTMJDJP-UHFFFAOYSA-N 0 1 379.443 3.108 20 0 GGADMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825313657 1426549045 /nfs/dbraw/zinc/54/90/45/1426549045.db2.gz NKIDHCDNTMJDJP-UHFFFAOYSA-N 0 1 379.443 3.108 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173377777 1426550243 /nfs/dbraw/zinc/55/02/43/1426550243.db2.gz SLYVHSDRDZSWNL-OAHLLOKOSA-N 0 1 394.516 3.019 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173378408 1426551808 /nfs/dbraw/zinc/55/18/08/1426551808.db2.gz ZLQOLQUFCCLVSE-ZIAGYGMSSA-N 0 1 378.494 3.024 20 0 GGADMN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1nnc2ccccc2c1O ZINC000173383937 1426558743 /nfs/dbraw/zinc/55/87/43/1426558743.db2.gz OKQKNFPJFVVNMW-UHFFFAOYSA-N 0 1 379.807 3.074 20 0 GGADMN COc1cccc(CN(C)C(=O)CN(CCO)[C@H]2CCCc3ccccc32)c1 ZINC000173388203 1426566139 /nfs/dbraw/zinc/56/61/39/1426566139.db2.gz XJHCAWUJEQAOPC-QFIPXVFZSA-N 0 1 382.504 3.026 20 0 GGADMN C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820571051 1426568296 /nfs/dbraw/zinc/56/82/96/1426568296.db2.gz VAGNDTBIJAZECO-BLLLJJGKSA-N 0 1 380.477 3.203 20 0 GGADMN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820571051 1426568302 /nfs/dbraw/zinc/56/83/02/1426568302.db2.gz VAGNDTBIJAZECO-BLLLJJGKSA-N 0 1 380.477 3.203 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736231618 1426579049 /nfs/dbraw/zinc/57/90/49/1426579049.db2.gz YNXWZGCWYXBCBV-QFIPXVFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736231618 1426579054 /nfs/dbraw/zinc/57/90/54/1426579054.db2.gz YNXWZGCWYXBCBV-QFIPXVFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736231618 1426579059 /nfs/dbraw/zinc/57/90/59/1426579059.db2.gz YNXWZGCWYXBCBV-QFIPXVFZSA-N 0 1 390.491 3.249 20 0 GGADMN COCc1cc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1F ZINC000173401858 1426585633 /nfs/dbraw/zinc/58/56/33/1426585633.db2.gz XCCQHCBRRLQIDH-CQSZACIVSA-N 0 1 380.485 3.073 20 0 GGADMN Clc1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc1-c1nnn[n-]1 ZINC000737574252 1426585813 /nfs/dbraw/zinc/58/58/13/1426585813.db2.gz NKTXUXSXHSYOIU-UHFFFAOYSA-N 0 1 384.875 3.303 20 0 GGADMN CCCN(CC[NH+](C)C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825314144 1426588627 /nfs/dbraw/zinc/58/86/27/1426588627.db2.gz XWXDKQYMELIVJO-UHFFFAOYSA-N 0 1 394.479 3.073 20 0 GGADMN C[C@@H]([NH2+]CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccc(-n2ccnc2)c1 ZINC000824590216 1426589926 /nfs/dbraw/zinc/58/99/26/1426589926.db2.gz AKQNDSDRBSDFNV-MRXNPFEDSA-N 0 1 389.463 3.172 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000173407203 1426590706 /nfs/dbraw/zinc/59/07/06/1426590706.db2.gz ZTQYHIZMWVMHOY-INIZCTEOSA-N 0 1 396.507 3.031 20 0 GGADMN CO[C@H](CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(F)cc1 ZINC000173408086 1426591679 /nfs/dbraw/zinc/59/16/79/1426591679.db2.gz MGGYDAFBGIRKKU-RBUKOAKNSA-N 0 1 377.435 3.254 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000173407771 1426591754 /nfs/dbraw/zinc/59/17/54/1426591754.db2.gz WNCDKIHFOOGNNU-CRAIPNDOSA-N 0 1 389.471 3.204 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820562767 1426591737 /nfs/dbraw/zinc/59/17/37/1426591737.db2.gz ISTBISBLPCHKFF-POXGOYDTSA-N 0 1 394.504 3.050 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562767 1426591740 /nfs/dbraw/zinc/59/17/40/1426591740.db2.gz ISTBISBLPCHKFF-POXGOYDTSA-N 0 1 394.504 3.050 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562767 1426591743 /nfs/dbraw/zinc/59/17/43/1426591743.db2.gz ISTBISBLPCHKFF-POXGOYDTSA-N 0 1 394.504 3.050 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2cccc(N3CC=CC3)c2)N(C)C)c1 ZINC000173409640 1426592301 /nfs/dbraw/zinc/59/23/01/1426592301.db2.gz CJRHNKPTUNIDQK-QFIPXVFZSA-N 0 1 394.519 3.174 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)c2cccnc2c1C ZINC000173408817 1426592491 /nfs/dbraw/zinc/59/24/91/1426592491.db2.gz BQVTZLHVENQXJR-UHFFFAOYSA-N 0 1 389.503 3.397 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2cccc(N3CC=CC3)c2)N(C)C)c1 ZINC000173409657 1426592568 /nfs/dbraw/zinc/59/25/68/1426592568.db2.gz CJRHNKPTUNIDQK-JOCHJYFZSA-N 0 1 394.519 3.174 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cccc(CC(F)(F)F)c1 ZINC000173409337 1426592870 /nfs/dbraw/zinc/59/28/70/1426592870.db2.gz JNFIIQXNQZRWLB-UHFFFAOYSA-N 0 1 392.425 3.337 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@H](OC)c2ccc(F)cc2)N(C)C)c1 ZINC000173410791 1426593953 /nfs/dbraw/zinc/59/39/53/1426593953.db2.gz DHQQAADNZFAVQT-PMACEKPBSA-N 0 1 389.471 3.124 20 0 GGADMN CCC(CC)(CC)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820881551 1426594325 /nfs/dbraw/zinc/59/43/25/1426594325.db2.gz AQUMLGDOUVKWNZ-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CCC(CC)(CC)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820881551 1426594329 /nfs/dbraw/zinc/59/43/29/1426594329.db2.gz AQUMLGDOUVKWNZ-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CCC(CC)(CC)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820881551 1426594333 /nfs/dbraw/zinc/59/43/33/1426594333.db2.gz AQUMLGDOUVKWNZ-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CC(C)(C)c1cc(NC(=O)CN(CCCCO)C2CC2)n(-c2ccccc2)n1 ZINC000173412616 1426595709 /nfs/dbraw/zinc/59/57/09/1426595709.db2.gz SPRPLNIOKVTMEM-UHFFFAOYSA-N 0 1 384.524 3.345 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)NCC(CC)(CC)c3ccccc3)C2)CC1 ZINC000173414835 1426597122 /nfs/dbraw/zinc/59/71/22/1426597122.db2.gz BDVWIXODNUCXGK-NRFANRHFSA-N 0 1 386.584 3.166 20 0 GGADMN CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(Cl)c1 ZINC000173415322 1426598761 /nfs/dbraw/zinc/59/87/61/1426598761.db2.gz IOSAVVKBBFAQES-GOSISDBHSA-N 0 1 396.940 3.194 20 0 GGADMN C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)c[nH+]2)C[C@@H](C)O1 ZINC000736287102 1426602771 /nfs/dbraw/zinc/60/27/71/1426602771.db2.gz DNRWBPXDFDJWOC-CHWSQXEVSA-N 0 1 399.886 3.141 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736055552 1426602896 /nfs/dbraw/zinc/60/28/96/1426602896.db2.gz GSWQJTXYYARLME-LLVKDONJSA-N 0 1 390.900 3.083 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736055552 1426602898 /nfs/dbraw/zinc/60/28/98/1426602898.db2.gz GSWQJTXYYARLME-LLVKDONJSA-N 0 1 390.900 3.083 20 0 GGADMN CC1CCC(N(C(=O)CN2CCC(CN3CCCCC3=O)CC2)C2CC2)CC1 ZINC000173437870 1426618607 /nfs/dbraw/zinc/61/86/07/1426618607.db2.gz CRNYONNGVFDRFM-UHFFFAOYSA-N 0 1 389.584 3.281 20 0 GGADMN O=C1CCCCN1CC1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000173438367 1426619401 /nfs/dbraw/zinc/61/94/01/1426619401.db2.gz SUYUIIXDINMTNQ-HXUWFJFHSA-N 0 1 387.499 3.046 20 0 GGADMN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC(CN2CCCCC2=O)CC1 ZINC000173439852 1426620883 /nfs/dbraw/zinc/62/08/83/1426620883.db2.gz ZZRUGALPSGWXEO-GOSISDBHSA-N 0 1 383.536 3.079 20 0 GGADMN Cc1ccc(CN(C(=O)CN2CCC(CN3CCCCC3=O)CC2)C2CC2)cc1 ZINC000173440717 1426620941 /nfs/dbraw/zinc/62/09/41/1426620941.db2.gz LWPJKCUZHIBOQG-UHFFFAOYSA-N 0 1 397.563 3.211 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC(CN4CCCCC4=O)CC3)C2=O)cc1 ZINC000173441175 1426621408 /nfs/dbraw/zinc/62/14/08/1426621408.db2.gz YSRIRCMKWMSPAY-OAQYLSRUSA-N 0 1 383.536 3.215 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173441652 1426621566 /nfs/dbraw/zinc/62/15/66/1426621566.db2.gz ZNWYILQEACENRJ-OALUTQOASA-N 0 1 397.563 3.467 20 0 GGADMN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)c3nc(C(C)(C)C)no3)CC2)c1 ZINC000173443776 1426623989 /nfs/dbraw/zinc/62/39/89/1426623989.db2.gz CCCORHNWEKQAPU-QGZVFWFLSA-N 0 1 399.539 3.065 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737419566 1426625574 /nfs/dbraw/zinc/62/55/74/1426625574.db2.gz DSOKCIGRVRYTLZ-IRXDYDNUSA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737419566 1426625580 /nfs/dbraw/zinc/62/55/80/1426625580.db2.gz DSOKCIGRVRYTLZ-IRXDYDNUSA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737419566 1426625586 /nfs/dbraw/zinc/62/55/86/1426625586.db2.gz DSOKCIGRVRYTLZ-IRXDYDNUSA-N 0 1 390.491 3.382 20 0 GGADMN COc1cc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2n1 ZINC000173449400 1426627929 /nfs/dbraw/zinc/62/79/29/1426627929.db2.gz FCSHEWQJBKPVKN-OAHLLOKOSA-N 0 1 399.516 3.345 20 0 GGADMN CC(C)C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@@H](O)c1ccc(F)cc1 ZINC000824255186 1426629888 /nfs/dbraw/zinc/62/98/88/1426629888.db2.gz BVPSWKWKDZKCLO-QGZVFWFLSA-N 0 1 375.473 3.259 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@@H](c2ccccc2)CO1 ZINC000173463538 1426637956 /nfs/dbraw/zinc/63/79/56/1426637956.db2.gz ZMDUKDQRGJHMTI-AUSIDOKSSA-N 0 1 393.531 3.036 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@@H](c2ccccc2)CO1 ZINC000173463417 1426638100 /nfs/dbraw/zinc/63/81/00/1426638100.db2.gz KVDHVOLWGJWZEG-WMZHIEFXSA-N 0 1 393.531 3.036 20 0 GGADMN Cc1cc(N2CC[C@@H](N3CCC(c4c[nH]c5ccccc54)CC3)C2=O)n(C)n1 ZINC000173469910 1426645020 /nfs/dbraw/zinc/64/50/20/1426645020.db2.gz FRMVYWQQUWTXMM-HXUWFJFHSA-N 0 1 377.492 3.195 20 0 GGADMN Cc1cc(N2CC[C@H](N3CCC(c4c[nH]c5ccccc54)CC3)C2=O)n(C)n1 ZINC000173469896 1426645280 /nfs/dbraw/zinc/64/52/80/1426645280.db2.gz FRMVYWQQUWTXMM-FQEVSTJZSA-N 0 1 377.492 3.195 20 0 GGADMN C[C@H]1SCC[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000736305010 1426647609 /nfs/dbraw/zinc/64/76/09/1426647609.db2.gz WPHJHKOPBMWWGV-DNVCBOLYSA-N 0 1 381.505 3.424 20 0 GGADMN CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736453952 1426648715 /nfs/dbraw/zinc/64/87/15/1426648715.db2.gz UZAZCQDHFSVDOG-LBPRGKRZSA-N 0 1 376.530 3.256 20 0 GGADMN COCc1cccc(CNC(=O)CN2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000173475874 1426650817 /nfs/dbraw/zinc/65/08/17/1426650817.db2.gz YIBGYTAALACDDJ-JOCHJYFZSA-N 0 1 381.520 3.352 20 0 GGADMN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2nnc3ccccc3c2O)cc1 ZINC000173478038 1426652653 /nfs/dbraw/zinc/65/26/53/1426652653.db2.gz YQISCIPBLOFUJT-HRAATJIYSA-N 0 1 377.444 3.129 20 0 GGADMN c1ccc2nc(C[N@H+]3CCCN(c4ccccc4-c4nnn[n-]4)CC3)ccc2c1 ZINC000738437089 1426657350 /nfs/dbraw/zinc/65/73/50/1426657350.db2.gz YNFXEKKIOUQXBR-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN CC(C)c1nc(C(=O)Nc2nc(-c3ccco3)n[nH]2)nn1-c1ccccc1F ZINC000173487620 1426660540 /nfs/dbraw/zinc/66/05/40/1426660540.db2.gz SFCFYVDIDXMGCS-UHFFFAOYSA-N 0 1 381.371 3.160 20 0 GGADMN CCOc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000825649784 1426664984 /nfs/dbraw/zinc/66/49/84/1426664984.db2.gz XTVANABWJILMRU-GFCCVEGCSA-N 0 1 386.481 3.006 20 0 GGADMN CC[N@@H+](Cc1ccc(OCC(=O)OC)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435068 1426676994 /nfs/dbraw/zinc/67/69/94/1426676994.db2.gz LEUNFBXQDFLFDM-OAHLLOKOSA-N 0 1 395.463 3.002 20 0 GGADMN CC[N@H+](Cc1ccc(OCC(=O)OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435068 1426677000 /nfs/dbraw/zinc/67/70/00/1426677000.db2.gz LEUNFBXQDFLFDM-OAHLLOKOSA-N 0 1 395.463 3.002 20 0 GGADMN CC[N@@H+](Cc1ccc(OCC(=O)OC)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435068 1426677004 /nfs/dbraw/zinc/67/70/04/1426677004.db2.gz LEUNFBXQDFLFDM-OAHLLOKOSA-N 0 1 395.463 3.002 20 0 GGADMN CCc1ccc([C@@H](COC)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)o1 ZINC000173510363 1426679771 /nfs/dbraw/zinc/67/97/71/1426679771.db2.gz ZBPGEEWMQSSTHO-QZTJIDSGSA-N 0 1 377.460 3.271 20 0 GGADMN CCc1ccc([C@H](COC)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)o1 ZINC000173510374 1426679822 /nfs/dbraw/zinc/67/98/22/1426679822.db2.gz ZBPGEEWMQSSTHO-ZWKOTPCHSA-N 0 1 377.460 3.271 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737837336 1426680826 /nfs/dbraw/zinc/68/08/26/1426680826.db2.gz FLZMZVFZNZZQBU-MRXNPFEDSA-N 0 1 396.882 3.338 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737837336 1426680830 /nfs/dbraw/zinc/68/08/30/1426680830.db2.gz FLZMZVFZNZZQBU-MRXNPFEDSA-N 0 1 396.882 3.338 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737837336 1426680834 /nfs/dbraw/zinc/68/08/34/1426680834.db2.gz FLZMZVFZNZZQBU-MRXNPFEDSA-N 0 1 396.882 3.338 20 0 GGADMN CC(C)Nc1ccc(F)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000173511824 1426682101 /nfs/dbraw/zinc/68/21/01/1426682101.db2.gz LBLXLYMMUKWWAN-UHFFFAOYSA-N 0 1 386.452 3.434 20 0 GGADMN C[C@@H]1CCN(C(=O)c2csc(-c3cnccn3)n2)CCN1Cc1ccccc1 ZINC000173515082 1426686398 /nfs/dbraw/zinc/68/63/98/1426686398.db2.gz MRQVQXYQTDVGDI-MRXNPFEDSA-N 0 1 393.516 3.337 20 0 GGADMN COc1ccccc1C=CC[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000737145172 1426687962 /nfs/dbraw/zinc/68/79/62/1426687962.db2.gz BTXPQATVNGHKKQ-TWGQIWQCSA-N 0 1 381.505 3.412 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cnc3ccccc3c2O)CCN1Cc1ccccc1 ZINC000173517473 1426688252 /nfs/dbraw/zinc/68/82/52/1426688252.db2.gz JRTOATYNXORWSK-QGZVFWFLSA-N 0 1 375.472 3.265 20 0 GGADMN C[C@H]1CCN(C(=O)c2cnc3ccccc3c2O)CCN1Cc1ccccc1 ZINC000173517487 1426690060 /nfs/dbraw/zinc/69/00/60/1426690060.db2.gz JRTOATYNXORWSK-KRWDZBQOSA-N 0 1 375.472 3.265 20 0 GGADMN Cc1cc(C)nc(SCC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)n1 ZINC000173519552 1426692999 /nfs/dbraw/zinc/69/29/99/1426692999.db2.gz QRFIYWOPOQGVKT-SFHVURJKSA-N 0 1 384.549 3.309 20 0 GGADMN C[C@@H]1CCN(Cc2c([O-])nnn2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000173532903 1426706838 /nfs/dbraw/zinc/70/68/38/1426706838.db2.gz STTSJROPYIXVSJ-GOSISDBHSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2c([O-])nnn2-c2ccccc2)CCN1Cc1ccccc1 ZINC000173532903 1426706848 /nfs/dbraw/zinc/70/68/48/1426706848.db2.gz STTSJROPYIXVSJ-GOSISDBHSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)CCN1Cc1ccccc1 ZINC000173532903 1426706862 /nfs/dbraw/zinc/70/68/62/1426706862.db2.gz STTSJROPYIXVSJ-GOSISDBHSA-N 0 1 377.492 3.069 20 0 GGADMN NC(=O)c1ccc(F)c(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000173533769 1426708909 /nfs/dbraw/zinc/70/89/09/1426708909.db2.gz JOCJJXFEBLWLPP-UHFFFAOYSA-N 0 1 390.321 3.168 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(CS(C)(=O)=O)c2C)cc1 ZINC000173533998 1426709184 /nfs/dbraw/zinc/70/91/84/1426709184.db2.gz OHTVDWATXYDNOW-UHFFFAOYSA-N 0 1 399.472 3.191 20 0 GGADMN CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820050424 1426712697 /nfs/dbraw/zinc/71/26/97/1426712697.db2.gz ABZUEMMCPRHTQX-NRFANRHFSA-N 0 1 390.491 3.451 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c1 ZINC000173545023 1426718206 /nfs/dbraw/zinc/71/82/06/1426718206.db2.gz RHJOHZJESJZDSR-UHFFFAOYSA-N 0 1 380.423 3.187 20 0 GGADMN CCN(Cc1c([O-])nnn1-c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173549577 1426723466 /nfs/dbraw/zinc/72/34/66/1426723466.db2.gz MKTUMUGMQWHCHY-FQEVSTJZSA-N 0 1 391.519 3.317 20 0 GGADMN CCN(Cc1c([O-])nnn1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173549577 1426723472 /nfs/dbraw/zinc/72/34/72/1426723472.db2.gz MKTUMUGMQWHCHY-FQEVSTJZSA-N 0 1 391.519 3.317 20 0 GGADMN CC[N@@H+](Cc1c([O-])nnn1-c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173549577 1426723478 /nfs/dbraw/zinc/72/34/78/1426723478.db2.gz MKTUMUGMQWHCHY-FQEVSTJZSA-N 0 1 391.519 3.317 20 0 GGADMN CC[N@H+](Cc1c([O-])nnn1-c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173549577 1426723482 /nfs/dbraw/zinc/72/34/82/1426723482.db2.gz MKTUMUGMQWHCHY-FQEVSTJZSA-N 0 1 391.519 3.317 20 0 GGADMN CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)cc12 ZINC000173553986 1426726929 /nfs/dbraw/zinc/72/69/29/1426726929.db2.gz QLECLLHJYQUWOU-UHFFFAOYSA-N 0 1 398.536 3.157 20 0 GGADMN C[C@H](O)CC(C)(C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000173557658 1426728292 /nfs/dbraw/zinc/72/82/92/1426728292.db2.gz MBNWNXCOJAPIGW-HNNXBMFYSA-N 0 1 381.948 3.401 20 0 GGADMN CC(C)OC(=O)[C@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000173557845 1426729316 /nfs/dbraw/zinc/72/93/16/1426729316.db2.gz JCMGSKYVBRRKQI-OAHLLOKOSA-N 0 1 395.931 3.191 20 0 GGADMN Cn1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360372 1426730356 /nfs/dbraw/zinc/73/03/56/1426730356.db2.gz IGHPWBBDOWINGH-OAHLLOKOSA-N 0 1 391.401 3.042 20 0 GGADMN Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000173560981 1426731421 /nfs/dbraw/zinc/73/14/21/1426731421.db2.gz GJEQAVBXFZKOKH-UHFFFAOYSA-N 0 1 389.503 3.312 20 0 GGADMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000173560957 1426731467 /nfs/dbraw/zinc/73/14/67/1426731467.db2.gz SQRZWGRDIVKRSM-KRWDZBQOSA-N 0 1 382.552 3.339 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000173572636 1426739173 /nfs/dbraw/zinc/73/91/73/1426739173.db2.gz CXJVPKJSFPOVCA-MSOLQXFVSA-N 0 1 382.508 3.305 20 0 GGADMN Clc1cccnc1N1CC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826353719 1426756222 /nfs/dbraw/zinc/75/62/22/1426756222.db2.gz BIHYYIVLLPNNTM-QAPCUYQASA-N 0 1 395.898 3.161 20 0 GGADMN CNC(=O)c1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000173594944 1426759430 /nfs/dbraw/zinc/75/94/30/1426759430.db2.gz ATUMEUILXQFAOD-UHFFFAOYSA-N 0 1 399.922 3.342 20 0 GGADMN Fc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ncccc12 ZINC000826374907 1426763134 /nfs/dbraw/zinc/76/31/34/1426763134.db2.gz RBHAUSMNSIEOSS-LJQANCHMSA-N 0 1 390.422 3.128 20 0 GGADMN Fc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ncccc12 ZINC000826374907 1426763136 /nfs/dbraw/zinc/76/31/36/1426763136.db2.gz RBHAUSMNSIEOSS-LJQANCHMSA-N 0 1 390.422 3.128 20 0 GGADMN CCS(=O)(=O)c1ccccc1C(=O)NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000173598808 1426765784 /nfs/dbraw/zinc/76/57/84/1426765784.db2.gz JGWBZSLVXXQHHZ-QGZVFWFLSA-N 0 1 388.533 3.121 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000173598767 1426765932 /nfs/dbraw/zinc/76/59/32/1426765932.db2.gz QVEMYHWMPMHCAD-CTNGQTDRSA-N 0 1 391.531 3.147 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820643221 1426766948 /nfs/dbraw/zinc/76/69/48/1426766948.db2.gz SCVBJLKPZJQWTI-DNVCBOLYSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820643221 1426766952 /nfs/dbraw/zinc/76/69/52/1426766952.db2.gz SCVBJLKPZJQWTI-DNVCBOLYSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820643221 1426766955 /nfs/dbraw/zinc/76/69/55/1426766955.db2.gz SCVBJLKPZJQWTI-DNVCBOLYSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cc(-c3nn[n-]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226230 1426769025 /nfs/dbraw/zinc/76/90/25/1426769025.db2.gz GHQRJXYUCOSYBJ-OXQOHEQNSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736226230 1426769030 /nfs/dbraw/zinc/76/90/30/1426769030.db2.gz GHQRJXYUCOSYBJ-OXQOHEQNSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226230 1426769031 /nfs/dbraw/zinc/76/90/31/1426769031.db2.gz GHQRJXYUCOSYBJ-OXQOHEQNSA-N 0 1 394.498 3.491 20 0 GGADMN CCC(CC)[C@H]([NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1)c1ccccc1 ZINC000736336616 1426771130 /nfs/dbraw/zinc/77/11/30/1426771130.db2.gz DXVYBFZXVODMFC-SFHVURJKSA-N 0 1 376.468 3.177 20 0 GGADMN CC(C)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC000735708722 1426771464 /nfs/dbraw/zinc/77/14/64/1426771464.db2.gz OEDABXPRALAGOC-QGZVFWFLSA-N 0 1 380.500 3.122 20 0 GGADMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)cc1OC ZINC000826169329 1426774964 /nfs/dbraw/zinc/77/49/64/1426774964.db2.gz PEBJAFSUTSTTDT-KRWDZBQOSA-N 0 1 395.463 3.230 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000821104795 1426781303 /nfs/dbraw/zinc/78/13/03/1426781303.db2.gz RBYMZQTUVZXNSE-UHFFFAOYSA-N 0 1 383.427 3.205 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCN(CCCCCCCO)CC1 ZINC000173614393 1426791843 /nfs/dbraw/zinc/79/18/43/1426791843.db2.gz FHWCNBWJJIFQKL-UHFFFAOYSA-N 0 1 383.330 3.150 20 0 GGADMN Cc1ccc(C(=O)NCC[C@H](C)N(C)Cc2ccccc2)cc1S(C)(=O)=O ZINC000173614267 1426792578 /nfs/dbraw/zinc/79/25/78/1426792578.db2.gz PCICMSITJVKYKD-KRWDZBQOSA-N 0 1 388.533 3.039 20 0 GGADMN O=C(CCN1CCN(Cc2ccon2)CC1)Nc1ccccc1-c1ccccc1 ZINC000173630616 1426803226 /nfs/dbraw/zinc/80/32/26/1426803226.db2.gz BWAKRIRBFAIHEV-UHFFFAOYSA-N 0 1 390.487 3.488 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccn(CCc2ccncc2)n1)c1cccc(F)c1 ZINC000173633434 1426803811 /nfs/dbraw/zinc/80/38/11/1426803811.db2.gz OQQSMXAPADJOPA-IBGZPJMESA-N 0 1 396.470 3.084 20 0 GGADMN CCn1nnnc1-c1cccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)c1 ZINC000173646991 1426809050 /nfs/dbraw/zinc/80/90/50/1426809050.db2.gz QGEKPOPFBMSEHF-UHFFFAOYSA-N 0 1 389.419 3.011 20 0 GGADMN CC(C)(NC(=O)Nc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173647823 1426809351 /nfs/dbraw/zinc/80/93/51/1426809351.db2.gz HBKMYGBJFJZTQX-KRWDZBQOSA-N 0 1 384.480 3.133 20 0 GGADMN Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](COCc3ccccc3)C2)c1C ZINC000173650267 1426810554 /nfs/dbraw/zinc/81/05/54/1426810554.db2.gz VDWPZFQUKQLEJB-FQEVSTJZSA-N 0 1 395.503 3.490 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000173660152 1426812974 /nfs/dbraw/zinc/81/29/74/1426812974.db2.gz WHTMBENYIRGZCN-NRFANRHFSA-N 0 1 397.494 3.441 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000173661203 1426813016 /nfs/dbraw/zinc/81/30/16/1426813016.db2.gz HPRMDAXDKPZRED-QGZVFWFLSA-N 0 1 384.446 3.035 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 ZINC000173660013 1426813042 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20 0 GGADMN O=C(CN1CCC[C@@H]1CN1CCOCC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000173689829 1426821735 /nfs/dbraw/zinc/82/17/35/1426821735.db2.gz JXHIPHIXCSTJSQ-VWNXMTODSA-N 0 1 399.579 3.221 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000824505321 1426825201 /nfs/dbraw/zinc/82/52/01/1426825201.db2.gz BLGKWAXXXWKDQL-QWHCGFSZSA-N 0 1 392.529 3.053 20 0 GGADMN CN(C(=O)c1cn(Cc2ccccc2)nn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173708291 1426827516 /nfs/dbraw/zinc/82/75/16/1426827516.db2.gz FXHPTAHUHNDXBG-NRFANRHFSA-N 0 1 389.503 3.063 20 0 GGADMN CN(C(=O)c1cn(Cc2ccccc2)nn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173708281 1426827606 /nfs/dbraw/zinc/82/76/06/1426827606.db2.gz FXHPTAHUHNDXBG-OAQYLSRUSA-N 0 1 389.503 3.063 20 0 GGADMN CN(C(=O)c1cc(-c2ccncc2)on1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173715346 1426829890 /nfs/dbraw/zinc/82/98/90/1426829890.db2.gz AFUVIPABALGPDO-IBGZPJMESA-N 0 1 376.460 3.473 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1OC(C)C ZINC000173719086 1426830605 /nfs/dbraw/zinc/83/06/05/1426830605.db2.gz LILPHVSQGWYHKS-IBGZPJMESA-N 0 1 376.545 3.176 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000173725330 1426832039 /nfs/dbraw/zinc/83/20/39/1426832039.db2.gz SYICEUKTTNYXGF-MRXNPFEDSA-N 0 1 389.521 3.042 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000173732261 1426833880 /nfs/dbraw/zinc/83/38/80/1426833880.db2.gz BEAAUHOEXRHSMI-UHFFFAOYSA-N 0 1 398.414 3.175 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC[C@H](CNC(=O)C(C)(C)C)C3)C2=O)cc1 ZINC000173737936 1426835704 /nfs/dbraw/zinc/83/57/04/1426835704.db2.gz LOBIYOUVXXESHW-QUCCMNQESA-N 0 1 385.552 3.365 20 0 GGADMN C[C@H](c1nc(-c2cccs2)no1)N1CCN(CCCCCCCO)CC1 ZINC000173738882 1426835725 /nfs/dbraw/zinc/83/57/25/1426835725.db2.gz IZVBXYZZBQDPGX-MRXNPFEDSA-N 0 1 378.542 3.420 20 0 GGADMN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCCN(Cc2ccccc2)CC1 ZINC000173745048 1426837518 /nfs/dbraw/zinc/83/75/18/1426837518.db2.gz QVFNCQXYUDHAEA-UHFFFAOYSA-N 0 1 378.476 3.311 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820664899 1426838019 /nfs/dbraw/zinc/83/80/19/1426838019.db2.gz CTDOZUYWSMGOED-IFXJQAMLSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000173750318 1426839427 /nfs/dbraw/zinc/83/94/27/1426839427.db2.gz ZLXGEMHRRZJAML-CVEARBPZSA-N 0 1 383.517 3.227 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000173750843 1426839873 /nfs/dbraw/zinc/83/98/73/1426839873.db2.gz DOUWXOMZTWZYSY-GJZGRUSLSA-N 0 1 396.516 3.297 20 0 GGADMN COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000173751442 1426840051 /nfs/dbraw/zinc/84/00/51/1426840051.db2.gz XZZFUTHJBJZQAW-MRXNPFEDSA-N 0 1 384.501 3.066 20 0 GGADMN CC(C)(C)C(=O)Cn1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)nn1 ZINC000173751614 1426840077 /nfs/dbraw/zinc/84/00/77/1426840077.db2.gz RKFYANZXGSMZNR-UHFFFAOYSA-N 0 1 382.468 3.319 20 0 GGADMN O=C(CN1CC[C@@H](CSc2ccccc2)C1)NCc1ccc2c(c1)OCO2 ZINC000173751369 1426840172 /nfs/dbraw/zinc/84/01/72/1426840172.db2.gz WACGJKIXFZURRF-QGZVFWFLSA-N 0 1 384.501 3.146 20 0 GGADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)CCS1 ZINC000173752786 1426840608 /nfs/dbraw/zinc/84/06/08/1426840608.db2.gz XUDMEJMHGBMCKT-RDJZCZTQSA-N 0 1 389.565 3.339 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN3CCCN(c4nc(C)ns4)CC3)cc2)n1 ZINC000173763757 1426843685 /nfs/dbraw/zinc/84/36/85/1426843685.db2.gz WHBBBZFJYGRABL-UHFFFAOYSA-N 0 1 382.537 3.361 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1OC(F)(F)F ZINC000173779741 1426849120 /nfs/dbraw/zinc/84/91/20/1426849120.db2.gz PRARAFUGNHWEAM-UHFFFAOYSA-N 0 1 394.397 3.131 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)[C@@H]1CCSC1 ZINC000825981410 1426851581 /nfs/dbraw/zinc/85/15/81/1426851581.db2.gz RPVJVWVOUPLALC-GOSISDBHSA-N 0 1 381.505 3.383 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCSC1 ZINC000825981410 1426851585 /nfs/dbraw/zinc/85/15/85/1426851585.db2.gz RPVJVWVOUPLALC-GOSISDBHSA-N 0 1 381.505 3.383 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCSC1 ZINC000825981410 1426851592 /nfs/dbraw/zinc/85/15/92/1426851592.db2.gz RPVJVWVOUPLALC-GOSISDBHSA-N 0 1 381.505 3.383 20 0 GGADMN Cc1nc(SCCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)n[nH]1 ZINC000173791215 1426851868 /nfs/dbraw/zinc/85/18/68/1426851868.db2.gz KSSTWRMKNHTNSK-IBGZPJMESA-N 0 1 392.488 3.377 20 0 GGADMN COC(=O)[C@@H](NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1F ZINC000173801368 1426855211 /nfs/dbraw/zinc/85/52/11/1426855211.db2.gz IXEHAFRDBBLDON-RTWAWAEBSA-N 0 1 386.467 3.475 20 0 GGADMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1OCC ZINC000173802346 1426855471 /nfs/dbraw/zinc/85/54/71/1426855471.db2.gz HZYVKXCPDBXVJO-DOTOQJQBSA-N 0 1 386.496 3.064 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3SCCc4ccccc43)c2)CC1 ZINC000173805423 1426855913 /nfs/dbraw/zinc/85/59/13/1426855913.db2.gz GIIGJTJDAOCWOB-OAQYLSRUSA-N 0 1 381.545 3.403 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825068601 1426857751 /nfs/dbraw/zinc/85/77/51/1426857751.db2.gz UKODVGPGFWZRIZ-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825068601 1426857759 /nfs/dbraw/zinc/85/77/59/1426857759.db2.gz UKODVGPGFWZRIZ-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825068601 1426857767 /nfs/dbraw/zinc/85/77/67/1426857767.db2.gz UKODVGPGFWZRIZ-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1 ZINC000173814414 1426858743 /nfs/dbraw/zinc/85/87/43/1426858743.db2.gz JQINNLSRMAQOLX-HUUCEWRRSA-N 0 1 393.915 3.010 20 0 GGADMN Cc1nn(C)c(C)c1CNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000173816424 1426859017 /nfs/dbraw/zinc/85/90/17/1426859017.db2.gz UAOIGWULEQIEEU-LJQANCHMSA-N 0 1 389.931 3.327 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CCN1Cc1ccccc1 ZINC000173816759 1426859085 /nfs/dbraw/zinc/85/90/85/1426859085.db2.gz HHLDNKYMEDJDNL-KRWDZBQOSA-N 0 1 390.487 3.229 20 0 GGADMN C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC000173816878 1426859174 /nfs/dbraw/zinc/85/91/74/1426859174.db2.gz UYAKYNYTLDRYPW-HNNXBMFYSA-N 0 1 387.430 3.026 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000173817381 1426859603 /nfs/dbraw/zinc/85/96/03/1426859603.db2.gz KQMHXYQIMOBNRD-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)CCN3CCN(c4ccccn4)CC3)cc2)o1 ZINC000173818682 1426859628 /nfs/dbraw/zinc/85/96/28/1426859628.db2.gz FWGBQDYBHKVRGZ-UHFFFAOYSA-N 0 1 391.475 3.196 20 0 GGADMN CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000173836501 1426865084 /nfs/dbraw/zinc/86/50/84/1426865084.db2.gz AALARKKTXOBJKX-IBGZPJMESA-N 0 1 387.505 3.051 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000173845677 1426868492 /nfs/dbraw/zinc/86/84/92/1426868492.db2.gz ZBLOWRDNBPTFOU-OXJNMPFZSA-N 0 1 386.517 3.245 20 0 GGADMN Cc1nnc(SCC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[nH]1 ZINC000173854044 1426871709 /nfs/dbraw/zinc/87/17/09/1426871709.db2.gz RMXIHRMRIPXGTG-UHFFFAOYSA-N 0 1 386.452 3.240 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000173854044 1426871714 /nfs/dbraw/zinc/87/17/14/1426871714.db2.gz RMXIHRMRIPXGTG-UHFFFAOYSA-N 0 1 386.452 3.240 20 0 GGADMN Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000826352503 1426872010 /nfs/dbraw/zinc/87/20/10/1426872010.db2.gz DAQYJRVSEMKOAL-CQSZACIVSA-N 0 1 383.887 3.133 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1 ZINC000173865219 1426874948 /nfs/dbraw/zinc/87/49/48/1426874948.db2.gz OFVACWIEMXFFBS-STQMWFEESA-N 0 1 377.510 3.046 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000173866785 1426875749 /nfs/dbraw/zinc/87/57/49/1426875749.db2.gz IVKZMGNPQITVSV-UHFFFAOYSA-N 0 1 382.489 3.491 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccco1 ZINC000173869277 1426876897 /nfs/dbraw/zinc/87/68/97/1426876897.db2.gz XPFANAKVTNTLOD-IBGZPJMESA-N 0 1 383.492 3.370 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2cc(-c3nn[n-]n3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000824884001 1426877105 /nfs/dbraw/zinc/87/71/05/1426877105.db2.gz KOODOKHHUKRPMK-CRAIPNDOSA-N 0 1 382.537 3.413 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000173870180 1426877089 /nfs/dbraw/zinc/87/70/89/1426877089.db2.gz IZJORQLMABGSBI-QZTJIDSGSA-N 0 1 391.581 3.273 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000173870195 1426877252 /nfs/dbraw/zinc/87/72/52/1426877252.db2.gz IZJORQLMABGSBI-MSOLQXFVSA-N 0 1 391.581 3.273 20 0 GGADMN C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173872811 1426878082 /nfs/dbraw/zinc/87/80/82/1426878082.db2.gz NQVQTXDCHRTYRU-QGZVFWFLSA-N 0 1 386.927 3.467 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000737147718 1426882560 /nfs/dbraw/zinc/88/25/60/1426882560.db2.gz NXZIGQGMWQEEEZ-SFHVURJKSA-N 0 1 379.464 3.481 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(OC(F)(F)F)cc3)C2=O)n(C)n1 ZINC000173897962 1426884071 /nfs/dbraw/zinc/88/40/71/1426884071.db2.gz BMNBVZWAOCGXMK-IUODEOHRSA-N 0 1 382.386 3.083 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000173898164 1426884446 /nfs/dbraw/zinc/88/44/46/1426884446.db2.gz IWEYZTJCANDRFO-WFASDCNBSA-N 0 1 382.386 3.165 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000173901324 1426885386 /nfs/dbraw/zinc/88/53/86/1426885386.db2.gz LAVYUSSYHPDAQK-FQEVSTJZSA-N 0 1 395.503 3.339 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570251 1426888614 /nfs/dbraw/zinc/88/86/14/1426888614.db2.gz MNOMPBVUGJTVCD-BZNIZROVSA-N 0 1 377.370 3.270 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000173920651 1426892670 /nfs/dbraw/zinc/89/26/70/1426892670.db2.gz PHWCXIJYIALZSJ-CABCVRRESA-N 0 1 396.557 3.002 20 0 GGADMN CCN(CC1CCN(CCn2c(C)csc2=O)CC1)C(=O)OC(C)(C)C ZINC000173926750 1426895520 /nfs/dbraw/zinc/89/55/20/1426895520.db2.gz OPFVNBBDMNIMRT-UHFFFAOYSA-N 0 1 383.558 3.187 20 0 GGADMN COc1cc(OC)c(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(OC)c1 ZINC000826181049 1426896639 /nfs/dbraw/zinc/89/66/39/1426896639.db2.gz JBWOZLYRVOBSBK-SFHVURJKSA-N 0 1 395.463 3.060 20 0 GGADMN C[C@H](Sc1nnc(C2CC2)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173942589 1426902575 /nfs/dbraw/zinc/90/25/75/1426902575.db2.gz CIULKUSVJFIURN-XJKSGUPXSA-N 0 1 388.562 3.287 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000173945731 1426903334 /nfs/dbraw/zinc/90/33/34/1426903334.db2.gz BLUDOUGVFJZYGT-DNVCBOLYSA-N 0 1 392.496 3.134 20 0 GGADMN C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625849 1426905007 /nfs/dbraw/zinc/90/50/07/1426905007.db2.gz LGRGXSLRICIAEC-LLVKDONJSA-N 0 1 398.833 3.091 20 0 GGADMN COc1cccc(O[C@@H](C)CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000173958843 1426910282 /nfs/dbraw/zinc/91/02/82/1426910282.db2.gz MJOFMPCSYUBXPA-LPHOPBHVSA-N 0 1 387.480 3.192 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCN(CCOC(C)C)CC1 ZINC000173961189 1426910781 /nfs/dbraw/zinc/91/07/81/1426910781.db2.gz QNRAESMDUZBJLV-OAQYLSRUSA-N 0 1 392.584 3.075 20 0 GGADMN CC(C)OCCN1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000173961403 1426912021 /nfs/dbraw/zinc/91/20/21/1426912021.db2.gz NXXFQTGVIXAMDB-HSZRJFAPSA-N 0 1 398.547 3.136 20 0 GGADMN Cc1ccc(C(C)(C)CN(C)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000173964611 1426913870 /nfs/dbraw/zinc/91/38/70/1426913870.db2.gz JMDYFCQHHIABMR-FQEVSTJZSA-N 0 1 375.534 3.342 20 0 GGADMN C[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)Oc1ccccc1F ZINC000173970214 1426915677 /nfs/dbraw/zinc/91/56/77/1426915677.db2.gz ZLMUXWDPTLQDFO-RDJZCZTQSA-N 0 1 375.444 3.322 20 0 GGADMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000173971508 1426916464 /nfs/dbraw/zinc/91/64/64/1426916464.db2.gz VBPOPHBLYDVGSV-CHWSQXEVSA-N 0 1 393.409 3.206 20 0 GGADMN C[N@@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028683 1426917743 /nfs/dbraw/zinc/91/77/43/1426917743.db2.gz FVRAYGIJMMXDNM-JQWIXIFHSA-N 0 1 396.307 3.487 20 0 GGADMN C[N@H+]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)cc1 ZINC000826028683 1426917748 /nfs/dbraw/zinc/91/77/48/1426917748.db2.gz FVRAYGIJMMXDNM-JQWIXIFHSA-N 0 1 396.307 3.487 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(-n2ccnn2)cc1 ZINC000824547447 1426918303 /nfs/dbraw/zinc/91/83/03/1426918303.db2.gz OIVFXNNCVKJKSJ-VBKZILBWSA-N 0 1 386.463 3.176 20 0 GGADMN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c2ccccc21 ZINC000823975338 1426918560 /nfs/dbraw/zinc/91/85/60/1426918560.db2.gz XCJQOZKHKACFOO-UXHICEINSA-N 0 1 388.475 3.332 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173980566 1426923722 /nfs/dbraw/zinc/92/37/22/1426923722.db2.gz BALSLFUIUYVJEC-IRXDYDNUSA-N 0 1 387.480 3.192 20 0 GGADMN CC[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(C)cc1 ZINC000825148216 1426924986 /nfs/dbraw/zinc/92/49/86/1426924986.db2.gz OQXQANGSGLCVBR-KRWDZBQOSA-N 0 1 375.436 3.466 20 0 GGADMN CCOc1ccc(Cl)cc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825639522 1426927038 /nfs/dbraw/zinc/92/70/38/1426927038.db2.gz YVBXDMAEBKTYGB-UHFFFAOYSA-N 0 1 375.835 3.390 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCC[C@@H]1C ZINC000173989549 1426929766 /nfs/dbraw/zinc/92/97/66/1426929766.db2.gz MOLDLBJFKYFWJA-INIZCTEOSA-N 0 1 390.553 3.215 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccs1 ZINC000174006702 1426938999 /nfs/dbraw/zinc/93/89/99/1426938999.db2.gz TYCBZPPTNFMACT-HUUCEWRRSA-N 0 1 396.557 3.050 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1cccs1 ZINC000174006678 1426939016 /nfs/dbraw/zinc/93/90/16/1426939016.db2.gz TYCBZPPTNFMACT-CABCVRRESA-N 0 1 396.557 3.050 20 0 GGADMN Cc1ccc(CN2CCOCC2)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000174007162 1426939876 /nfs/dbraw/zinc/93/98/76/1426939876.db2.gz DJVBNHJYEUYEBX-UHFFFAOYSA-N 0 1 397.500 3.176 20 0 GGADMN O=C(Nc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cn1)c1ccccc1 ZINC000174009406 1426940420 /nfs/dbraw/zinc/94/04/20/1426940420.db2.gz LOLUHWSMGUBDNW-UHFFFAOYSA-N 0 1 389.383 3.413 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1nc(C(C)(C)C)no1 ZINC000174010178 1426941637 /nfs/dbraw/zinc/94/16/37/1426941637.db2.gz KTWCOXSWVBEJIS-LSDHHAIUSA-N 0 1 385.512 3.174 20 0 GGADMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000174011381 1426942358 /nfs/dbraw/zinc/94/23/58/1426942358.db2.gz GYWHYXCXTVTVLU-UHFFFAOYSA-N 0 1 399.472 3.291 20 0 GGADMN CSc1nc(C2CC2)nc(C)c1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000174017959 1426946081 /nfs/dbraw/zinc/94/60/81/1426946081.db2.gz JFAGYYRBLSMVNO-UHFFFAOYSA-N 0 1 397.548 3.174 20 0 GGADMN CCc1ccc([C@@H](CNc2cc(C(C)=O)ccc2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000825705210 1426946666 /nfs/dbraw/zinc/94/66/66/1426946666.db2.gz YUTXEMJGHKPMBO-HXUWFJFHSA-N 0 1 378.480 3.347 20 0 GGADMN O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738056185 1426950885 /nfs/dbraw/zinc/95/08/85/1426950885.db2.gz SISSCFKDGCHZHY-UHFFFAOYSA-N 0 1 391.907 3.298 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000174032196 1426956154 /nfs/dbraw/zinc/95/61/54/1426956154.db2.gz NYEATXBQWNYBDV-KRWDZBQOSA-N 0 1 391.533 3.431 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NS(=O)(=O)c3cc(F)ccc3F)n2)c1 ZINC000174034625 1426958062 /nfs/dbraw/zinc/95/80/62/1426958062.db2.gz UMHAMPVGYPXQMI-JTQLQIEISA-N 0 1 395.387 3.063 20 0 GGADMN COC(=O)c1ccccc1N(C)C(=O)CN(C)[C@@H](C)Cc1ccccc1OC ZINC000174034121 1426958237 /nfs/dbraw/zinc/95/82/37/1426958237.db2.gz ANWRKADCWXKKJZ-INIZCTEOSA-N 0 1 384.476 3.008 20 0 GGADMN Cc1ccnc(Oc2cc(NC(=O)N[C@H](C)CN3CCN(C)CC3)ccc2C)c1 ZINC000174035305 1426959092 /nfs/dbraw/zinc/95/90/92/1426959092.db2.gz IARAZYSDWDFIFC-GOSISDBHSA-N 0 1 397.523 3.248 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)CSc3ccccc3)cc2)CC1 ZINC000174036743 1426960455 /nfs/dbraw/zinc/96/04/55/1426960455.db2.gz FYNKDZHNJVUYAC-UHFFFAOYSA-N 0 1 385.533 3.044 20 0 GGADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826215074 1426961696 /nfs/dbraw/zinc/96/16/96/1426961696.db2.gz GAJUYWSKWYWRLW-LIRRHRJNSA-N 0 1 379.464 3.467 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1nc(C(C)(C)C)no1 ZINC000174038675 1426961811 /nfs/dbraw/zinc/96/18/11/1426961811.db2.gz WCKMGJGVUQJLSS-SSDOTTSWSA-N 0 1 379.269 3.108 20 0 GGADMN C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174039241 1426962120 /nfs/dbraw/zinc/96/21/20/1426962120.db2.gz XDLSPBQGONFMIT-GOSISDBHSA-N 0 1 399.510 3.269 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174039310 1426962148 /nfs/dbraw/zinc/96/21/48/1426962148.db2.gz LPBDPLSMFBNLHW-XZOQPEGZSA-N 0 1 393.531 3.363 20 0 GGADMN CC(C)CCSCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174040288 1426963147 /nfs/dbraw/zinc/96/31/47/1426963147.db2.gz QAJBWDIPXQVZHB-UHFFFAOYSA-N 0 1 379.570 3.031 20 0 GGADMN C[C@@H](CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000174039748 1426963478 /nfs/dbraw/zinc/96/34/78/1426963478.db2.gz CSHPQNBWZCNZDL-IBGZPJMESA-N 0 1 381.520 3.445 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(F)cc2OC(F)F)C[C@H](C)O1 ZINC000174041897 1426964189 /nfs/dbraw/zinc/96/41/89/1426964189.db2.gz XZAVPGKLVYKOAU-TXEJJXNPSA-N 0 1 375.391 3.048 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 ZINC000174041057 1426964545 /nfs/dbraw/zinc/96/45/45/1426964545.db2.gz WLKKRLQHIKOIBD-UHFFFAOYSA-N 0 1 397.519 3.111 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c(C)c2)CC1 ZINC000736569808 1426964490 /nfs/dbraw/zinc/96/44/90/1426964490.db2.gz UEAAFMYSEVASNM-KRWDZBQOSA-N 0 1 391.523 3.490 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000174042976 1426966421 /nfs/dbraw/zinc/96/64/21/1426966421.db2.gz JGRXBNIKCMUUKR-JOCHJYFZSA-N 0 1 381.520 3.445 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cn1C ZINC000174045944 1426968979 /nfs/dbraw/zinc/96/89/79/1426968979.db2.gz XYASFFGSOCCZSG-UHFFFAOYSA-N 0 1 391.474 3.044 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cn1C ZINC000174046602 1426969933 /nfs/dbraw/zinc/96/99/33/1426969933.db2.gz KKYXBFRGOVPCOY-UHFFFAOYSA-N 0 1 391.449 3.051 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)cn1C ZINC000174047784 1426970165 /nfs/dbraw/zinc/97/01/65/1426970165.db2.gz PRKFKLVVAHPNCD-UHFFFAOYSA-N 0 1 391.474 3.100 20 0 GGADMN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 ZINC000174046626 1426970279 /nfs/dbraw/zinc/97/02/79/1426970279.db2.gz ASVUDNFJPTXNMD-IBGZPJMESA-N 0 1 397.519 3.027 20 0 GGADMN CCc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000821482553 1426971830 /nfs/dbraw/zinc/97/18/30/1426971830.db2.gz SUUZXXJNSMMAQX-CYBMUJFWSA-N 0 1 383.525 3.205 20 0 GGADMN COCCOc1ccccc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051444 1426973127 /nfs/dbraw/zinc/97/31/27/1426973127.db2.gz NLYVXUDSMVMOMS-HXUWFJFHSA-N 0 1 382.504 3.448 20 0 GGADMN COc1cc(OC)c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000174050923 1426973436 /nfs/dbraw/zinc/97/34/36/1426973436.db2.gz CYVFTISJZZUQRO-SFHVURJKSA-N 0 1 398.503 3.449 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)c1 ZINC000174054911 1426975778 /nfs/dbraw/zinc/97/57/78/1426975778.db2.gz MMJUJZPHWWEHDX-UHFFFAOYSA-N 0 1 396.369 3.185 20 0 GGADMN Cc1cc(C)cc(OC[C@H](O)CN2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000174057238 1426978263 /nfs/dbraw/zinc/97/82/63/1426978263.db2.gz AXYDZQBLPIMSOY-LJQANCHMSA-N 0 1 396.487 3.058 20 0 GGADMN O=C(Nc1ccc(F)cc1OC(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000174057671 1426978270 /nfs/dbraw/zinc/97/82/70/1426978270.db2.gz NHLDCSMOPWXHFD-CYBMUJFWSA-N 0 1 387.402 3.003 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000174062215 1426980820 /nfs/dbraw/zinc/98/08/20/1426980820.db2.gz CGRZFSSQSMOHFY-IBGZPJMESA-N 0 1 396.487 3.058 20 0 GGADMN O=c1cc(CN2CCN(Cc3ccc4ccccc4c3)CC2)nc2sccn21 ZINC000174065654 1426983411 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PPSHGJMTGKKIHC-WMZOPIPTSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736287517 1427046576 /nfs/dbraw/zinc/04/65/76/1427046576.db2.gz PPSHGJMTGKKIHC-WMZOPIPTSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736287517 1427046581 /nfs/dbraw/zinc/04/65/81/1427046581.db2.gz PPSHGJMTGKKIHC-WMZOPIPTSA-N 0 1 390.491 3.321 20 0 GGADMN Cc1ccc(CCN(C[C@@H]2CCCO2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000174205938 1427049554 /nfs/dbraw/zinc/04/95/54/1427049554.db2.gz ASEBPEHNBCAMBI-ZWKOTPCHSA-N 0 1 384.442 3.182 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174206665 1427050481 /nfs/dbraw/zinc/05/04/81/1427050481.db2.gz BHZQTUTVEBUXMH-DOTOQJQBSA-N 0 1 384.442 3.065 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820419162 1427050536 /nfs/dbraw/zinc/05/05/36/1427050536.db2.gz FDCWYDKDEDTACO-MEDUHNTESA-N 0 1 388.269 3.013 20 0 GGADMN COc1ccc2cc([C@H](C)C(=O)N3CC[C@H](CN4CCOCC4)C3)ccc2c1 ZINC000174208289 1427050907 /nfs/dbraw/zinc/05/09/07/1427050907.db2.gz LSDYYOCJGAILOV-ZWKOTPCHSA-N 0 1 382.504 3.133 20 0 GGADMN COc1ccc2c(CN(C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(=O)oc2c1 ZINC000174207828 1427051254 /nfs/dbraw/zinc/05/12/54/1427051254.db2.gz AGCTUQAFWDGOBP-HNNXBMFYSA-N 0 1 388.464 3.243 20 0 GGADMN O=C(CCCOc1cccc2ccccc21)N1CC[C@H](CN2CCOCC2)C1 ZINC000174210514 1427052807 /nfs/dbraw/zinc/05/28/07/1427052807.db2.gz AIAYXXIBFPOETB-LJQANCHMSA-N 0 1 382.504 3.180 20 0 GGADMN CCc1ccc(-c2nc(CC(=O)N3CC[C@H](CN4CCOCC4)C3)cs2)cc1 ZINC000174212981 1427054000 /nfs/dbraw/zinc/05/40/00/1427054000.db2.gz QRKLAVIEQMXGLV-GOSISDBHSA-N 0 1 399.560 3.096 20 0 GGADMN O=C(CCc1cccc(OC2CCCC2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174212470 1427054015 /nfs/dbraw/zinc/05/40/15/1427054015.db2.gz DCUITWOHTUBIPT-FQEVSTJZSA-N 0 1 386.536 3.121 20 0 GGADMN O=C(CCc1cccc(OC2CCCC2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174212457 1427054181 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20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(Cl)cc(C)c3O)cc2C[C@H]1C ZINC000174251520 1427070252 /nfs/dbraw/zinc/07/02/52/1427070252.db2.gz GXLCGSRUFSBZIP-LLVKDONJSA-N 0 1 394.880 3.452 20 0 GGADMN C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000174253189 1427071540 /nfs/dbraw/zinc/07/15/40/1427071540.db2.gz DWSLFIAMECIASX-LJQANCHMSA-N 0 1 381.520 3.478 20 0 GGADMN COCc1cccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000174260727 1427073950 /nfs/dbraw/zinc/07/39/50/1427073950.db2.gz ACJWLRYCKDAOBY-UHFFFAOYSA-N 0 1 388.533 3.297 20 0 GGADMN O=C(NC1CC1)[C@@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000174264235 1427074998 /nfs/dbraw/zinc/07/49/98/1427074998.db2.gz QFTGFGKDUMOJAX-NRFANRHFSA-N 0 1 378.451 3.163 20 0 GGADMN COc1ccc([C@@H](NC(=O)CSc2nnc(C)[nH]2)c2ccc(F)cc2)cc1 ZINC000174264766 1427075040 /nfs/dbraw/zinc/07/50/40/1427075040.db2.gz ACYJPFUCIVIIGM-SFHVURJKSA-N 0 1 386.452 3.259 20 0 GGADMN COc1ccc([C@@H](NC(=O)CSc2nc(C)n[nH]2)c2ccc(F)cc2)cc1 ZINC000174264766 1427075045 /nfs/dbraw/zinc/07/50/45/1427075045.db2.gz ACYJPFUCIVIIGM-SFHVURJKSA-N 0 1 386.452 3.259 20 0 GGADMN O=C(NC1CC1)[C@H](NCCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000174264249 1427075187 /nfs/dbraw/zinc/07/51/87/1427075187.db2.gz QFTGFGKDUMOJAX-OAQYLSRUSA-N 0 1 378.451 3.163 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CCC2(CCCC2)C1 ZINC000174268569 1427077681 /nfs/dbraw/zinc/07/76/81/1427077681.db2.gz RQMNWROWCJGCDS-UHFFFAOYSA-N 0 1 387.524 3.138 20 0 GGADMN Cn1c(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nc2cc(F)ccc21 ZINC000826355395 1427080141 /nfs/dbraw/zinc/08/01/41/1427080141.db2.gz XQJQMZUCLNRNGC-MRXNPFEDSA-N 0 1 377.427 3.060 20 0 GGADMN CN(C(=O)CN1CCC2(CCCC2)C1)c1ccccc1C(=O)NCc1ccco1 ZINC000174276735 1427080319 /nfs/dbraw/zinc/08/03/19/1427080319.db2.gz IEXCJSBUDYZAQQ-UHFFFAOYSA-N 0 1 395.503 3.439 20 0 GGADMN Fc1ccc(OC2CC[NH+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)cc1 ZINC000737656837 1427083272 /nfs/dbraw/zinc/08/32/72/1427083272.db2.gz POSUZPDBUXUCHQ-UHFFFAOYSA-N 0 1 392.438 3.302 20 0 GGADMN O=C(Nc1cccc(N2CCCNC2=O)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000174294017 1427088926 /nfs/dbraw/zinc/08/89/26/1427088926.db2.gz KTKQPCXTOCHNEU-HXUWFJFHSA-N 0 1 378.476 3.209 20 0 GGADMN Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000174294754 1427089609 /nfs/dbraw/zinc/08/96/09/1427089609.db2.gz SJPCXAKXBKXECE-UHFFFAOYSA-N 0 1 375.432 3.353 20 0 GGADMN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2nnc3ccccc3c2O)cc1 ZINC000174300831 1427091978 /nfs/dbraw/zinc/09/19/78/1427091978.db2.gz GOJAQHUXLQXLKD-UHFFFAOYSA-N 0 1 389.377 3.479 20 0 GGADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCCN(CC(F)(F)F)CC1 ZINC000174309318 1427094922 /nfs/dbraw/zinc/09/49/22/1427094922.db2.gz VERZDLOGSILWEP-SFHVURJKSA-N 0 1 383.458 3.138 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821197298 1427100378 /nfs/dbraw/zinc/10/03/78/1427100378.db2.gz IJHBKKUPNHDROD-UHFFFAOYSA-N 0 1 384.459 3.339 20 0 GGADMN CCO[C@H](CCNC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)C(C)C ZINC000174321132 1427100696 /nfs/dbraw/zinc/10/06/96/1427100696.db2.gz LNKRYVXONFWOJO-OAQYLSRUSA-N 0 1 391.556 3.364 20 0 GGADMN CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000174325656 1427102251 /nfs/dbraw/zinc/10/22/51/1427102251.db2.gz IVPZTSQYQQXMDN-UHFFFAOYSA-N 0 1 396.896 3.284 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O ZINC000174327296 1427103378 /nfs/dbraw/zinc/10/33/78/1427103378.db2.gz XADPAWDBWUEWPS-WMLDXEAASA-N 0 1 399.491 3.341 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O ZINC000174327270 1427103734 /nfs/dbraw/zinc/10/37/34/1427103734.db2.gz XADPAWDBWUEWPS-YOEHRIQHSA-N 0 1 399.491 3.341 20 0 GGADMN O=C(NC1CCN(CC(F)(F)F)CC1)[C@H]1CCCCN1Cc1ccccc1 ZINC000174329031 1427104179 /nfs/dbraw/zinc/10/41/79/1427104179.db2.gz HXFMVGSWJBAUSW-GOSISDBHSA-N 0 1 383.458 3.184 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000820420461 1427108755 /nfs/dbraw/zinc/10/87/55/1427108755.db2.gz RJMKIEUKWAKRRP-BDJLRTHQSA-N 0 1 388.269 3.013 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000174341138 1427110746 /nfs/dbraw/zinc/11/07/46/1427110746.db2.gz AXNKCHVLYJSTGG-UXHICEINSA-N 0 1 391.581 3.063 20 0 GGADMN Cc1nnc(SCCC(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)[nH]1 ZINC000174348787 1427114616 /nfs/dbraw/zinc/11/46/16/1427114616.db2.gz VMNAUIUPEORSGD-UHFFFAOYSA-N 0 1 398.536 3.087 20 0 GGADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000174350121 1427115124 /nfs/dbraw/zinc/11/51/24/1427115124.db2.gz ZJVGMWBNMUXKAI-HUUCEWRRSA-N 0 1 397.972 3.343 20 0 GGADMN O=C(Nc1cccc2cccnc21)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000174358245 1427118183 /nfs/dbraw/zinc/11/81/83/1427118183.db2.gz IYWOXMAOWPASPH-PZJWPPBQSA-N 0 1 390.487 3.239 20 0 GGADMN CC[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCS1 ZINC000174361620 1427120230 /nfs/dbraw/zinc/12/02/30/1427120230.db2.gz WNPBPVJUZICQDB-QZTJIDSGSA-N 0 1 390.549 3.339 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000822758145 1427122345 /nfs/dbraw/zinc/12/23/45/1427122345.db2.gz KEFIJEGKKGWATK-IBGZPJMESA-N 0 1 381.455 3.230 20 0 GGADMN COc1ccccc1-c1ccc(CNCCS(=O)(=O)NCC2CCC2)cc1 ZINC000174374130 1427126154 /nfs/dbraw/zinc/12/61/54/1427126154.db2.gz AHPHFSWIXSEFJS-UHFFFAOYSA-N 0 1 388.533 3.171 20 0 GGADMN COc1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc2c1OCCO2 ZINC000826179293 1427128881 /nfs/dbraw/zinc/12/88/81/1427128881.db2.gz IKJNXMQJLNJKDR-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)c3cc(-c4ccc(C)o4)n[nH]3)cc21 ZINC000174389257 1427133921 /nfs/dbraw/zinc/13/39/21/1427133921.db2.gz DOIIFTKVIQMORG-UHFFFAOYSA-N 0 1 379.420 3.322 20 0 GGADMN CCN(CCS(=O)(=O)c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000174392436 1427135089 /nfs/dbraw/zinc/13/50/89/1427135089.db2.gz ONXVFDQBIKOMHV-UHFFFAOYSA-N 0 1 387.549 3.094 20 0 GGADMN Cc1cc(Cl)ccc1OCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737264200 1427140807 /nfs/dbraw/zinc/14/08/07/1427140807.db2.gz OFTGCIZOCBQGLA-UHFFFAOYSA-N 0 1 397.870 3.035 20 0 GGADMN O=C(NCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccs1 ZINC000174406794 1427144006 /nfs/dbraw/zinc/14/40/06/1427144006.db2.gz YSZGFFCXGQNNDQ-INIZCTEOSA-N 0 1 394.924 3.479 20 0 GGADMN Cc1nc(SCCC(=O)Nc2cc(CN3CCSCC3)ccc2C)n[nH]1 ZINC000174430571 1427152753 /nfs/dbraw/zinc/15/27/53/1427152753.db2.gz LJBIJYNLKRLEOM-UHFFFAOYSA-N 0 1 391.566 3.091 20 0 GGADMN CCO[C@@H](C)c1nc(CN2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cs1 ZINC000174439590 1427156779 /nfs/dbraw/zinc/15/67/79/1427156779.db2.gz JZWLRCAHYNTZPS-AWEZNQCLSA-N 0 1 391.541 3.045 20 0 GGADMN COC(=O)CCN(Cc1csc(-c2ccccc2F)n1)C1CCOCC1 ZINC000174441484 1427157438 /nfs/dbraw/zinc/15/74/38/1427157438.db2.gz AYHXIEMZOBQHKP-UHFFFAOYSA-N 0 1 378.469 3.493 20 0 GGADMN COC(=O)CCN(Cc1coc(-c2ccc(F)c(F)c2)n1)C1CCOCC1 ZINC000174440754 1427157913 /nfs/dbraw/zinc/15/79/13/1427157913.db2.gz BNMBGIADYHLBKP-UHFFFAOYSA-N 0 1 380.391 3.164 20 0 GGADMN CCN(C(=O)CN(CCC(=O)OC)C1CCOCC1)c1cccc2ccccc21 ZINC000174442697 1427158493 /nfs/dbraw/zinc/15/84/93/1427158493.db2.gz VGMNVHKRVRTRRM-UHFFFAOYSA-N 0 1 398.503 3.237 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cnn(CC3CC3)c2)N2CCCC2)c1 ZINC000174444965 1427159050 /nfs/dbraw/zinc/15/90/50/1427159050.db2.gz WWHIPGQJUKKKHA-HXUWFJFHSA-N 0 1 383.496 3.260 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cnn(CC3CC3)c2)N2CCCC2)c1 ZINC000174444981 1427159073 /nfs/dbraw/zinc/15/90/73/1427159073.db2.gz WWHIPGQJUKKKHA-FQEVSTJZSA-N 0 1 383.496 3.260 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(-c3nnc(C)o3)c2)N(C)C)c1 ZINC000174451277 1427161845 /nfs/dbraw/zinc/16/18/45/1427161845.db2.gz UZRRSVRNHJNMNC-IBGZPJMESA-N 0 1 380.448 3.086 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000174453283 1427162533 /nfs/dbraw/zinc/16/25/33/1427162533.db2.gz PYCLHAOTYATEJH-CQSZACIVSA-N 0 1 398.413 3.010 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1cnn(CC2CC2)c1)N1CCCC1 ZINC000174455359 1427163926 /nfs/dbraw/zinc/16/39/26/1427163926.db2.gz UAZXFWUYXPMDEP-LJQANCHMSA-N 0 1 383.496 3.260 20 0 GGADMN CSCc1nc2ccccc2n1CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174456627 1427164641 /nfs/dbraw/zinc/16/46/41/1427164641.db2.gz ZITWRYIDSVELJA-UHFFFAOYSA-N 0 1 383.452 3.231 20 0 GGADMN O=C(CCCc1nnc(-c2ccccc2)o1)NCc1nc2ccc(F)cc2[nH]1 ZINC000174458493 1427165506 /nfs/dbraw/zinc/16/55/06/1427165506.db2.gz DLEJAAHZVIZPPO-UHFFFAOYSA-N 0 1 379.395 3.391 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Nc2cnn(CC3CC3)c2)N2CCCC2)cc1 ZINC000174461377 1427167301 /nfs/dbraw/zinc/16/73/01/1427167301.db2.gz WHCMUCJEYTVRID-HXUWFJFHSA-N 0 1 383.496 3.260 20 0 GGADMN Cc1cc(C)n(Cc2cccc(C(=O)NCc3nc4ccc(F)cc4[nH]3)c2)n1 ZINC000174460402 1427167365 /nfs/dbraw/zinc/16/73/65/1427167365.db2.gz TUKRSIVFFWWMRG-UHFFFAOYSA-N 0 1 377.423 3.494 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174463523 1427168815 /nfs/dbraw/zinc/16/88/15/1427168815.db2.gz YCSCGYZYUOQJQA-OAHLLOKOSA-N 0 1 376.432 3.108 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000174485675 1427177866 /nfs/dbraw/zinc/17/78/66/1427177866.db2.gz PEUDNXOYMPSXPP-PGRDOPGGSA-N 0 1 389.540 3.243 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(Oc3ccccn3)c2)C1 ZINC000174498788 1427184303 /nfs/dbraw/zinc/18/43/03/1427184303.db2.gz JCUXCILUCJGMPN-IBGZPJMESA-N 0 1 384.480 3.352 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccccn3)c2)C[C@H](C)O1 ZINC000174498691 1427184392 /nfs/dbraw/zinc/18/43/92/1427184392.db2.gz ATCCQKHNVDFTLW-IRXDYDNUSA-N 0 1 384.480 3.495 20 0 GGADMN CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000824015134 1427184330 /nfs/dbraw/zinc/18/43/30/1427184330.db2.gz PZYXDSVCACWUMM-UHFFFAOYSA-N 0 1 377.452 3.067 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccccn3)c2)C[C@H](C)O1 ZINC000174498676 1427184504 /nfs/dbraw/zinc/18/45/04/1427184504.db2.gz ATCCQKHNVDFTLW-CALCHBBNSA-N 0 1 384.480 3.495 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821449343 1427185860 /nfs/dbraw/zinc/18/58/60/1427185860.db2.gz SEELMWWRHZCLIB-OLZOCXBDSA-N 0 1 394.932 3.065 20 0 GGADMN CC[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccc(OC)cc1 ZINC000174502286 1427187831 /nfs/dbraw/zinc/18/78/31/1427187831.db2.gz TVQXNJMHAFTSKP-JOCHJYFZSA-N 0 1 381.520 3.324 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000174503481 1427188741 /nfs/dbraw/zinc/18/87/41/1427188741.db2.gz UJTHKIOVOADACZ-NRFANRHFSA-N 0 1 393.531 3.448 20 0 GGADMN Cc1[nH]c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c(C)c1C(=O)OC(C)C ZINC000174504825 1427189875 /nfs/dbraw/zinc/18/98/75/1427189875.db2.gz JRMLYKGKNAXWAE-UHFFFAOYSA-N 0 1 386.427 3.185 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000174506338 1427190284 /nfs/dbraw/zinc/19/02/84/1427190284.db2.gz BDZLLCIHWPCQBJ-QGZVFWFLSA-N 0 1 383.423 3.232 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)cc2NC1=O ZINC000174505196 1427190552 /nfs/dbraw/zinc/19/05/52/1427190552.db2.gz SACVYXKTZHOIAS-JTQLQIEISA-N 0 1 384.436 3.107 20 0 GGADMN Clc1cccc(C[N@H+]2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)c1 ZINC000737573975 1427190593 /nfs/dbraw/zinc/19/05/93/1427190593.db2.gz IUNJEFRVAGELKH-INIZCTEOSA-N 0 1 383.887 3.382 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174507423 1427191027 /nfs/dbraw/zinc/19/10/27/1427191027.db2.gz UWDSWWOTXBSOIM-UHFFFAOYSA-N 0 1 377.423 3.477 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)C1(c2cccc(F)c2)CCOCC1 ZINC000174508777 1427191039 /nfs/dbraw/zinc/19/10/39/1427191039.db2.gz LGRFBHCPWPBGHB-UHFFFAOYSA-N 0 1 385.414 3.248 20 0 GGADMN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174507629 1427191088 /nfs/dbraw/zinc/19/10/88/1427191088.db2.gz CGOKPZJANLHJGS-UHFFFAOYSA-N 0 1 389.814 3.028 20 0 GGADMN CN(C(=O)C1CC1)c1ccccc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174508720 1427191167 /nfs/dbraw/zinc/19/11/67/1427191167.db2.gz YAAHHMSQKALBDL-UHFFFAOYSA-N 0 1 380.423 3.047 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174509418 1427192095 /nfs/dbraw/zinc/19/20/95/1427192095.db2.gz ZHSHRLGKZXUWRJ-UHFFFAOYSA-N 0 1 391.450 3.406 20 0 GGADMN Cc1nnc(SCC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[nH]1 ZINC000174510570 1427192800 /nfs/dbraw/zinc/19/28/00/1427192800.db2.gz JXYBUPOWDDCMRP-UHFFFAOYSA-N 0 1 385.468 3.011 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC000174510570 1427192811 /nfs/dbraw/zinc/19/28/11/1427192811.db2.gz JXYBUPOWDDCMRP-UHFFFAOYSA-N 0 1 385.468 3.011 20 0 GGADMN Cc1cc(C)n(-c2ccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)cc2)n1 ZINC000174510824 1427192990 /nfs/dbraw/zinc/19/29/90/1427192990.db2.gz KLXULJVJDUGAPT-UHFFFAOYSA-N 0 1 377.423 3.477 20 0 GGADMN CS(=O)(=O)CCOCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000174512577 1427194850 /nfs/dbraw/zinc/19/48/50/1427194850.db2.gz DDEBKZGAPBYTQG-UHFFFAOYSA-N 0 1 392.304 3.404 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000174514906 1427196048 /nfs/dbraw/zinc/19/60/48/1427196048.db2.gz UYCZNLHRLVIBBV-NRFANRHFSA-N 0 1 394.450 3.115 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000174514920 1427196176 /nfs/dbraw/zinc/19/61/76/1427196176.db2.gz UYCZNLHRLVIBBV-OAQYLSRUSA-N 0 1 394.450 3.115 20 0 GGADMN O=C(COc1cccc(C(F)(F)F)c1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174515152 1427196405 /nfs/dbraw/zinc/19/64/05/1427196405.db2.gz FFPKPXDUKSAVNC-UHFFFAOYSA-N 0 1 381.329 3.459 20 0 GGADMN O=C(c1cccc2cn[nH]c21)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000174518709 1427198166 /nfs/dbraw/zinc/19/81/66/1427198166.db2.gz KXFAJOQQFDZPFS-UHFFFAOYSA-N 0 1 393.424 3.304 20 0 GGADMN C[C@@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1ccccc1Cl ZINC000174529014 1427205883 /nfs/dbraw/zinc/20/58/83/1427205883.db2.gz YNDKRFWRUBWMPZ-JTQLQIEISA-N 0 1 389.864 3.063 20 0 GGADMN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000174531966 1427207723 /nfs/dbraw/zinc/20/77/23/1427207723.db2.gz GCTQNZNHWPWWPB-UHFFFAOYSA-N 0 1 398.875 3.319 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCS[C@@H](CC)C1 ZINC000174538007 1427209588 /nfs/dbraw/zinc/20/95/88/1427209588.db2.gz OMJRFHONCPAYQD-KRWDZBQOSA-N 0 1 392.569 3.196 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735598017 1427209708 /nfs/dbraw/zinc/20/97/08/1427209708.db2.gz WLZFAKGLZKNZQN-CQSZACIVSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735598017 1427209714 /nfs/dbraw/zinc/20/97/14/1427209714.db2.gz WLZFAKGLZKNZQN-CQSZACIVSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735598017 1427209716 /nfs/dbraw/zinc/20/97/16/1427209716.db2.gz WLZFAKGLZKNZQN-CQSZACIVSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1cc(-c2cc(C(=O)N[C@@H](C)c3nnc[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000174537281 1427209770 /nfs/dbraw/zinc/20/97/70/1427209770.db2.gz VQAIBCIHUPTUJP-LBPRGKRZSA-N 0 1 393.451 3.498 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000174537718 1427210027 /nfs/dbraw/zinc/21/00/27/1427210027.db2.gz CVCRUQCQIFEEHQ-KRWDZBQOSA-N 0 1 397.523 3.457 20 0 GGADMN C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1nnc[nH]1 ZINC000174540796 1427211754 /nfs/dbraw/zinc/21/17/54/1427211754.db2.gz SHDPURBYQXIZNW-SUMWQHHRSA-N 0 1 397.866 3.197 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)CCSCC ZINC000174541590 1427212629 /nfs/dbraw/zinc/21/26/29/1427212629.db2.gz NBKPDIYSTNILFJ-INIZCTEOSA-N 0 1 394.585 3.490 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cccc(F)c1 ZINC000174541834 1427212927 /nfs/dbraw/zinc/21/29/27/1427212927.db2.gz SXAVGASRTJIWKO-UHFFFAOYSA-N 0 1 386.471 3.298 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccccn1 ZINC000174542598 1427214259 /nfs/dbraw/zinc/21/42/59/1427214259.db2.gz STQQDQLEYPMRCF-QGZVFWFLSA-N 0 1 397.523 3.457 20 0 GGADMN Cc1c(NC(=O)NCCN2CCc3ccccc3C2)cccc1N1CCOC1=O ZINC000174544387 1427214463 /nfs/dbraw/zinc/21/44/63/1427214463.db2.gz QJXYAGJMDGTWLJ-UHFFFAOYSA-N 0 1 394.475 3.131 20 0 GGADMN C[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)c1nnc[nH]1 ZINC000174548653 1427217467 /nfs/dbraw/zinc/21/74/67/1427217467.db2.gz VOLZTHWNIRVVEX-LLVKDONJSA-N 0 1 382.811 3.395 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1C(F)(F)F ZINC000174562381 1427224932 /nfs/dbraw/zinc/22/49/32/1427224932.db2.gz XUJOMIZIMCKOTI-KRWDZBQOSA-N 0 1 393.409 3.371 20 0 GGADMN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174561198 1427225181 /nfs/dbraw/zinc/22/51/81/1427225181.db2.gz SECXRVYKYYVVFZ-ZDUSSCGKSA-N 0 1 375.436 3.288 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1ccccc1 ZINC000174562527 1427225955 /nfs/dbraw/zinc/22/59/55/1427225955.db2.gz KBMVYJLYUQLTOX-IBGZPJMESA-N 0 1 383.492 3.222 20 0 GGADMN CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353248 1427227390 /nfs/dbraw/zinc/22/73/90/1427227390.db2.gz ZNWJJHICSYPPNW-MAUKXSAKSA-N 0 1 381.480 3.081 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174567208 1427228149 /nfs/dbraw/zinc/22/81/49/1427228149.db2.gz LHDKMHFRYIEGIB-QGZVFWFLSA-N 0 1 399.564 3.251 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1CC(F)(F)F)c1cccs1 ZINC000174568439 1427228354 /nfs/dbraw/zinc/22/83/54/1427228354.db2.gz RHOCVFAHKQCPNV-CQSZACIVSA-N 0 1 399.438 3.211 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174567078 1427228429 /nfs/dbraw/zinc/22/84/29/1427228429.db2.gz ZJDHMUFIAJCCEF-QGZVFWFLSA-N 0 1 399.564 3.251 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c2cccnc2c1C ZINC000174568391 1427228623 /nfs/dbraw/zinc/22/86/23/1427228623.db2.gz VLSAYXLQFJBHLE-KRWDZBQOSA-N 0 1 396.516 3.271 20 0 GGADMN CN(CC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)c1ncnc2[nH]cnc21 ZINC000174567757 1427228666 /nfs/dbraw/zinc/22/86/66/1427228666.db2.gz QZKBAQVBKFXKCA-UHFFFAOYSA-N 0 1 395.492 3.335 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CC(F)(F)F)c1cccs1 ZINC000174568426 1427228704 /nfs/dbraw/zinc/22/87/04/1427228704.db2.gz RHOCVFAHKQCPNV-AWEZNQCLSA-N 0 1 399.438 3.211 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174567219 1427228750 /nfs/dbraw/zinc/22/87/50/1427228750.db2.gz LHDKMHFRYIEGIB-KRWDZBQOSA-N 0 1 399.564 3.251 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1)c1cccs1 ZINC000174568732 1427229789 /nfs/dbraw/zinc/22/97/89/1427229789.db2.gz YXNDQOJDMMBZEY-CQSZACIVSA-N 0 1 399.438 3.211 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)cc21 ZINC000174568577 1427229877 /nfs/dbraw/zinc/22/98/77/1427229877.db2.gz BGGRFNLOUHBTRA-SFHVURJKSA-N 0 1 398.532 3.470 20 0 GGADMN CC[C@H]1CN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCS1 ZINC000174569932 1427230462 /nfs/dbraw/zinc/23/04/62/1427230462.db2.gz WIXJVYZFTXQUHT-RDJZCZTQSA-N 0 1 394.560 3.176 20 0 GGADMN CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C2(CCCCC2)C1 ZINC000174570544 1427231571 /nfs/dbraw/zinc/23/15/71/1427231571.db2.gz RGBYMBPEQATKLR-LJQANCHMSA-N 0 1 398.551 3.407 20 0 GGADMN CSC(C)(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174570454 1427231870 /nfs/dbraw/zinc/23/18/70/1427231870.db2.gz MRUFETJWQLBPFW-AWEZNQCLSA-N 0 1 382.549 3.079 20 0 GGADMN OCCC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1cccc(Cl)c1 ZINC000826509952 1427235031 /nfs/dbraw/zinc/23/50/31/1427235031.db2.gz RPJLBPOMHNXZNA-UHFFFAOYSA-N 0 1 396.882 3.157 20 0 GGADMN OCCC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)Cc1cccc(Cl)c1 ZINC000826509952 1427235038 /nfs/dbraw/zinc/23/50/38/1427235038.db2.gz RPJLBPOMHNXZNA-UHFFFAOYSA-N 0 1 396.882 3.157 20 0 GGADMN OCCC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)Cc1cccc(Cl)c1 ZINC000826509952 1427235041 /nfs/dbraw/zinc/23/50/41/1427235041.db2.gz RPJLBPOMHNXZNA-UHFFFAOYSA-N 0 1 396.882 3.157 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)N(C)C)cc1 ZINC000174578624 1427236713 /nfs/dbraw/zinc/23/67/13/1427236713.db2.gz FSKPSBHCCSDRDT-HXUWFJFHSA-N 0 1 378.476 3.088 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC(C)(C)C[C@H](C)O)CC1 ZINC000174587197 1427242737 /nfs/dbraw/zinc/24/27/37/1427242737.db2.gz PJRWSCLPXALDPA-HNNXBMFYSA-N 0 1 396.963 3.401 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cnc(-c4ccccc4)nc3)c2)CC1 ZINC000174597158 1427248425 /nfs/dbraw/zinc/24/84/25/1427248425.db2.gz VDFFFGWKDCZTMX-UHFFFAOYSA-N 0 1 387.487 3.143 20 0 GGADMN CO[C@@]1(C)C[C@H](N(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C ZINC000174600380 1427251434 /nfs/dbraw/zinc/25/14/34/1427251434.db2.gz YXXLPHOCBRSQRP-UGKGYDQZSA-N 0 1 388.556 3.414 20 0 GGADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1ccccc1 ZINC000174601677 1427251704 /nfs/dbraw/zinc/25/17/04/1427251704.db2.gz TWYNCRZZDBGILA-LJQANCHMSA-N 0 1 383.492 3.222 20 0 GGADMN CC(=O)c1ccccc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000174602432 1427252970 /nfs/dbraw/zinc/25/29/70/1427252970.db2.gz DZOKIOIDFFWHMT-IAGOWNOFSA-N 0 1 380.488 3.428 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)C(=O)N3CCc4ccccc43)C2)nc1 ZINC000174604029 1427254551 /nfs/dbraw/zinc/25/45/51/1427254551.db2.gz QAOOGADSNCRBHV-HKUYNNGSSA-N 0 1 392.503 3.018 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1cccc(OCC(N)=O)c1 ZINC000174603845 1427254703 /nfs/dbraw/zinc/25/47/03/1427254703.db2.gz ASTOFSCAGNPHSJ-UHFFFAOYSA-N 0 1 398.894 3.296 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(F)cc4c3OCOC4)C2)nc1 ZINC000174604293 1427254884 /nfs/dbraw/zinc/25/48/84/1427254884.db2.gz NMFQQRWIKZVLMS-OAHLLOKOSA-N 0 1 385.439 3.246 20 0 GGADMN Cc1nc(SCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000174605463 1427256092 /nfs/dbraw/zinc/25/60/92/1427256092.db2.gz VTDYLTHGYSNCTI-UHFFFAOYSA-N 0 1 393.944 3.030 20 0 GGADMN Cc1ccnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1-c1nn[n-]n1 ZINC000826309947 1427257517 /nfs/dbraw/zinc/25/75/17/1427257517.db2.gz HBCRCQPYXXAATH-QFIPXVFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1-c1nnn[n-]1 ZINC000826309947 1427257518 /nfs/dbraw/zinc/25/75/18/1427257518.db2.gz HBCRCQPYXXAATH-QFIPXVFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1-c1nnn[n-]1 ZINC000826309947 1427257524 /nfs/dbraw/zinc/25/75/24/1427257524.db2.gz HBCRCQPYXXAATH-QFIPXVFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC(=O)N(Cc4ccccc4)C3)[nH]n2)o1 ZINC000174611746 1427261034 /nfs/dbraw/zinc/26/10/34/1427261034.db2.gz HGUIREIZTQLTIB-MRXNPFEDSA-N 0 1 379.416 3.184 20 0 GGADMN CCC(=O)N(C)c1ccccc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000174610936 1427261258 /nfs/dbraw/zinc/26/12/58/1427261258.db2.gz HWOSTCXUOJQJAF-UHFFFAOYSA-N 0 1 379.504 3.408 20 0 GGADMN COc1ccc([C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C(C)C)cc1 ZINC000174615411 1427263917 /nfs/dbraw/zinc/26/39/17/1427263917.db2.gz HLDNGLIVAONQNY-HSZRJFAPSA-N 0 1 396.535 3.116 20 0 GGADMN Fc1ccc([C@@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)cc1 ZINC000826373806 1427272695 /nfs/dbraw/zinc/27/26/95/1427272695.db2.gz AKIAAGWBQLTFTD-OAHLLOKOSA-N 0 1 391.454 3.423 20 0 GGADMN Fc1ccc([C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826373806 1427272701 /nfs/dbraw/zinc/27/27/01/1427272701.db2.gz AKIAAGWBQLTFTD-OAHLLOKOSA-N 0 1 391.454 3.423 20 0 GGADMN Fc1ccc([C@@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826373806 1427272705 /nfs/dbraw/zinc/27/27/05/1427272705.db2.gz AKIAAGWBQLTFTD-OAHLLOKOSA-N 0 1 391.454 3.423 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCN1C[C@@H](C)O ZINC000174628721 1427274799 /nfs/dbraw/zinc/27/47/99/1427274799.db2.gz OXUKTPKCLOWQIN-MUIFIZLQSA-N 0 1 384.442 3.113 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000174633629 1427277972 /nfs/dbraw/zinc/27/79/72/1427277972.db2.gz KSMIXVBUJZSHLH-UZLBHIALSA-N 0 1 380.492 3.409 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCN(CC)CC2)C12CCC2 ZINC000174634470 1427278847 /nfs/dbraw/zinc/27/88/47/1427278847.db2.gz SPQYWMQUVHQYHC-WOJBJXKFSA-N 0 1 386.540 3.298 20 0 GGADMN CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824092916 1427279149 /nfs/dbraw/zinc/27/91/49/1427279149.db2.gz BUJHTSSEBQYIKA-UHFFFAOYSA-N 0 1 388.472 3.307 20 0 GGADMN CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824092916 1427279160 /nfs/dbraw/zinc/27/91/60/1427279160.db2.gz BUJHTSSEBQYIKA-UHFFFAOYSA-N 0 1 388.472 3.307 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3oc(-c4ccccc4)nc3C)CC2)c1 ZINC000174636683 1427279369 /nfs/dbraw/zinc/27/93/69/1427279369.db2.gz WNUMLLSJMGTTKW-UHFFFAOYSA-N 0 1 378.432 3.016 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC(=O)c3c[nH]c4ccccc4c3=O)n2)c1 ZINC000174644354 1427283866 /nfs/dbraw/zinc/28/38/66/1427283866.db2.gz UTXLNKCSKJUYAR-LBPRGKRZSA-N 0 1 390.399 3.078 20 0 GGADMN COc1ccccc1CCC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826219870 1427284466 /nfs/dbraw/zinc/28/44/66/1427284466.db2.gz UHCNHCWLEWUDRU-UHFFFAOYSA-N 0 1 393.491 3.351 20 0 GGADMN Oc1ccc(C2=CC[N@@H+](CCCOc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000823726572 1427293605 /nfs/dbraw/zinc/29/36/05/1427293605.db2.gz CAIIIVZGXSRXBG-UHFFFAOYSA-N 0 1 377.448 3.131 20 0 GGADMN Oc1ccc(C2=CC[N@H+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823726572 1427293610 /nfs/dbraw/zinc/29/36/10/1427293610.db2.gz CAIIIVZGXSRXBG-UHFFFAOYSA-N 0 1 377.448 3.131 20 0 GGADMN Oc1ccc(C2=CC[N@@H+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823726572 1427293615 /nfs/dbraw/zinc/29/36/15/1427293615.db2.gz CAIIIVZGXSRXBG-UHFFFAOYSA-N 0 1 377.448 3.131 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2CC2)ccc1C ZINC000174662862 1427294302 /nfs/dbraw/zinc/29/43/02/1427294302.db2.gz VHTYJPKTTSCDGG-UHFFFAOYSA-N 0 1 388.489 3.334 20 0 GGADMN CSc1ccccc1NC(=O)CCN1CCN(Cc2cccc(O)c2)CC1 ZINC000174666604 1427296863 /nfs/dbraw/zinc/29/68/63/1427296863.db2.gz YUNZCNYGAQDYOZ-UHFFFAOYSA-N 0 1 385.533 3.261 20 0 GGADMN Cc1nnc(SCCC(=O)NCCOc2ccccc2-c2ccccc2)[nH]1 ZINC000174667915 1427298205 /nfs/dbraw/zinc/29/82/05/1427298205.db2.gz MORKPOKLEKSYNY-UHFFFAOYSA-N 0 1 382.489 3.458 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000174677400 1427304338 /nfs/dbraw/zinc/30/43/38/1427304338.db2.gz MXZRQRSPOVCFJJ-SFHVURJKSA-N 0 1 383.492 3.243 20 0 GGADMN COc1ccc(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)c(OC)c1 ZINC000174676719 1427304550 /nfs/dbraw/zinc/30/45/50/1427304550.db2.gz 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ZINC000174689646 1427311515 /nfs/dbraw/zinc/31/15/15/1427311515.db2.gz VHPCQENRZUKPRZ-CQSZACIVSA-N 0 1 393.944 3.200 20 0 GGADMN Cc1nnc(SCCC(=O)N(CCc2ccccc2)Cc2cccnc2)[nH]1 ZINC000174692027 1427313031 /nfs/dbraw/zinc/31/30/31/1427313031.db2.gz OKNNCZFVDCNYIF-UHFFFAOYSA-N 0 1 381.505 3.262 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000174695856 1427315108 /nfs/dbraw/zinc/31/51/08/1427315108.db2.gz QILJCRFFYLRGCK-UHFFFAOYSA-N 0 1 378.367 3.057 20 0 GGADMN CCc1nc2cc(NC(=O)c3cccc(CN4CCN(C)CC4)c3)ccc2o1 ZINC000174698135 1427316209 /nfs/dbraw/zinc/31/62/09/1427316209.db2.gz RARMPMLLKRVQDR-UHFFFAOYSA-N 0 1 378.476 3.390 20 0 GGADMN CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCCO1 ZINC000824807667 1427317405 /nfs/dbraw/zinc/31/74/05/1427317405.db2.gz LBHBUFBUYMDKSN-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCCO1 ZINC000824807667 1427317407 /nfs/dbraw/zinc/31/74/07/1427317407.db2.gz LBHBUFBUYMDKSN-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCCO1 ZINC000824807667 1427317409 /nfs/dbraw/zinc/31/74/09/1427317409.db2.gz LBHBUFBUYMDKSN-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(-c2cnco2)c1 ZINC000174705644 1427320366 /nfs/dbraw/zinc/32/03/66/1427320366.db2.gz NFFCYJKGXSJVHX-UHFFFAOYSA-N 0 1 376.460 3.492 20 0 GGADMN Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174707117 1427321456 /nfs/dbraw/zinc/32/14/56/1427321456.db2.gz GQTKPCZOVBFJLI-UHFFFAOYSA-N 0 1 383.540 3.008 20 0 GGADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(c2nncn2C2CC2)CC1 ZINC000174706823 1427321811 /nfs/dbraw/zinc/32/18/11/1427321811.db2.gz PMVGSZWAZDGABC-NRFANRHFSA-N 0 1 393.535 3.374 20 0 GGADMN C[N@@H+](CCNc1cc(-c2nnn[n-]2)c2ccccc2n1)Cc1ccc(F)cc1 ZINC000821602596 1427325050 /nfs/dbraw/zinc/32/50/50/1427325050.db2.gz JUSVXPPSTGXQOP-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN C[N@H+](CCNc1cc(-c2nn[n-]n2)c2ccccc2n1)Cc1ccc(F)cc1 ZINC000821602596 1427325052 /nfs/dbraw/zinc/32/50/52/1427325052.db2.gz JUSVXPPSTGXQOP-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN C[N@@H+](CCNc1cc(-c2nn[n-]n2)c2ccccc2n1)Cc1ccc(F)cc1 ZINC000821602596 1427325055 /nfs/dbraw/zinc/32/50/55/1427325055.db2.gz JUSVXPPSTGXQOP-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174716734 1427327222 /nfs/dbraw/zinc/32/72/22/1427327222.db2.gz DKVSIQFLYLGLEV-OAHLLOKOSA-N 0 1 388.443 3.297 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174716722 1427327327 /nfs/dbraw/zinc/32/73/27/1427327327.db2.gz DKVSIQFLYLGLEV-HNNXBMFYSA-N 0 1 388.443 3.297 20 0 GGADMN Cc1csc(C2(NC(=O)c3cccc(CN4CCN(C)CC4)c3)CCCC2)n1 ZINC000174716868 1427327383 /nfs/dbraw/zinc/32/73/83/1427327383.db2.gz ZSGCPAYMQQOAME-UHFFFAOYSA-N 0 1 398.576 3.398 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1)c1ccsc1 ZINC000826503204 1427329690 /nfs/dbraw/zinc/32/96/90/1427329690.db2.gz SSWPVIDLBXCFIN-KRWDZBQOSA-N 0 1 381.461 3.257 20 0 GGADMN Cc1ccccc1NC(=O)CCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000174720849 1427329849 /nfs/dbraw/zinc/32/98/49/1427329849.db2.gz HMPQOXRPZGAXMX-UHFFFAOYSA-N 0 1 383.467 3.311 20 0 GGADMN COC(=O)C[C@H]1CSCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000174730757 1427336012 /nfs/dbraw/zinc/33/60/12/1427336012.db2.gz ACLUZLUQBSZKRN-IBGZPJMESA-N 0 1 384.501 3.419 20 0 GGADMN COC(=O)C[C@H]1CSCCN1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000174734821 1427338539 /nfs/dbraw/zinc/33/85/39/1427338539.db2.gz XROIIQDWVVPMTC-HNNXBMFYSA-N 0 1 393.484 3.097 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CC3(O)CCCCC3)c(C(F)(F)F)c2)CC1 ZINC000174742626 1427343043 /nfs/dbraw/zinc/34/30/43/1427343043.db2.gz JJXUKQJCKWKCHG-UHFFFAOYSA-N 0 1 399.457 3.481 20 0 GGADMN CCCn1cc(CN2CCCN(c3ncnc4cc(F)c(F)cc43)CC2)cn1 ZINC000174742503 1427343183 /nfs/dbraw/zinc/34/31/83/1427343183.db2.gz GOXOAALNQCHOFU-UHFFFAOYSA-N 0 1 386.450 3.227 20 0 GGADMN C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000174745116 1427344979 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20 0 GGADMN Cc1ccccc1NC(=O)CCN1CCN(c2ncnc3ccsc32)CC1 ZINC000174791752 1427370324 /nfs/dbraw/zinc/37/03/24/1427370324.db2.gz QQDKWYRNKKKKTB-UHFFFAOYSA-N 0 1 381.505 3.151 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000174795258 1427373061 /nfs/dbraw/zinc/37/30/61/1427373061.db2.gz SYYVAGSCFFSQPG-HNNXBMFYSA-N 0 1 376.888 3.344 20 0 GGADMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(CN3CCN(C)CC3)c1)CCC2 ZINC000174798806 1427375038 /nfs/dbraw/zinc/37/50/38/1427375038.db2.gz WCJNPVIRWHRIIO-FQEVSTJZSA-N 0 1 398.576 3.349 20 0 GGADMN Cc1nc(SCCC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)n[nH]1 ZINC000174800143 1427376423 /nfs/dbraw/zinc/37/64/23/1427376423.db2.gz JCHGPPPFJMNVHO-UHFFFAOYSA-N 0 1 379.449 3.172 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000174819427 1427385598 /nfs/dbraw/zinc/38/55/98/1427385598.db2.gz GKYKYTRNOVDLMZ-LEWJYISDSA-N 0 1 399.579 3.442 20 0 GGADMN Cc1sc2[nH]c(CN(C)Cc3nnc[nH]3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000174819109 1427385637 /nfs/dbraw/zinc/38/56/37/1427385637.db2.gz JZWOJTNJLSUPDV-UHFFFAOYSA-N 0 1 380.477 3.019 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000174819411 1427385827 /nfs/dbraw/zinc/38/58/27/1427385827.db2.gz GKYKYTRNOVDLMZ-SFTDATJTSA-N 0 1 399.579 3.442 20 0 GGADMN CN(CC(=O)N1CCCc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825716 1427388859 /nfs/dbraw/zinc/38/88/59/1427388859.db2.gz KYKBKIPVAYGWNP-UHFFFAOYSA-N 0 1 387.524 3.297 20 0 GGADMN C[N@@H+]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023036 1427393109 /nfs/dbraw/zinc/39/31/09/1427393109.db2.gz WCIVJYDPPODVSZ-MLGOLLRUSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826023036 1427393115 /nfs/dbraw/zinc/39/31/15/1427393115.db2.gz WCIVJYDPPODVSZ-MLGOLLRUSA-N 0 1 387.850 3.159 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 ZINC000174835670 1427395337 /nfs/dbraw/zinc/39/53/37/1427395337.db2.gz MURPHAFYFIHFCR-UHFFFAOYSA-N 0 1 380.920 3.382 20 0 GGADMN COc1ccc(OCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826211570 1427397489 /nfs/dbraw/zinc/39/74/89/1427397489.db2.gz KOVPODQTLIDHLM-FQEVSTJZSA-N 0 1 379.464 3.311 20 0 GGADMN C[C@@]1(c2ccccc2)CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000174846720 1427403959 /nfs/dbraw/zinc/40/39/59/1427403959.db2.gz VHENPWGKERFGMG-XMMPIXPASA-N 0 1 392.547 3.174 20 0 GGADMN CC1CC[NH+](CCc2cccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000824956011 1427406918 /nfs/dbraw/zinc/40/69/18/1427406918.db2.gz PRAVLCOCJYSQRA-UHFFFAOYSA-N 0 1 390.491 3.393 20 0 GGADMN c1ccc(N[C@H]2CCCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826522037 1427414049 /nfs/dbraw/zinc/41/40/49/1427414049.db2.gz JIQAMXJBFWYEGM-KRWDZBQOSA-N 0 1 375.480 3.221 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)[nH]c2c1 ZINC000174863861 1427415696 /nfs/dbraw/zinc/41/56/96/1427415696.db2.gz RAOLIAZBVAHZAT-NVXWUHKLSA-N 0 1 376.460 3.097 20 0 GGADMN CCc1ccccc1N1C[C@H](C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1=O ZINC000174863731 1427415810 /nfs/dbraw/zinc/41/58/10/1427415810.db2.gz XZVJDWPHZALVSS-MRXNPFEDSA-N 0 1 376.460 3.103 20 0 GGADMN COc1cc(CCC(=O)NCc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC ZINC000174863301 1427415821 /nfs/dbraw/zinc/41/58/21/1427415821.db2.gz ZNSUBYIAUQBLHT-UHFFFAOYSA-N 0 1 383.448 3.146 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)[nH]c2c1 ZINC000174863849 1427415867 /nfs/dbraw/zinc/41/58/67/1427415867.db2.gz RAOLIAZBVAHZAT-RDJZCZTQSA-N 0 1 376.460 3.097 20 0 GGADMN O=CNc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000174865861 1427417072 /nfs/dbraw/zinc/41/70/72/1427417072.db2.gz PYBZZDJDBVBWLB-GOSISDBHSA-N 0 1 391.393 3.278 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)[nH]c2c1 ZINC000174867230 1427417813 /nfs/dbraw/zinc/41/78/13/1427417813.db2.gz KDHNDCQOLQWACL-UHFFFAOYSA-N 0 1 384.436 3.419 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1cccc2cnccc21 ZINC000174866450 1427417853 /nfs/dbraw/zinc/41/78/53/1427417853.db2.gz 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397.504 3.460 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](C)Oc3ccc(C)cc3)n2)cc1 ZINC000175261421 1427631462 /nfs/dbraw/zinc/63/14/62/1427631462.db2.gz KZNPQEROYGSCET-HNNXBMFYSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@H](C)Oc3ccc(C)cc3)n[nH]2)cc1 ZINC000175261421 1427631468 /nfs/dbraw/zinc/63/14/68/1427631468.db2.gz KZNPQEROYGSCET-HNNXBMFYSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)n2)cc1 ZINC000175262093 1427631906 /nfs/dbraw/zinc/63/19/06/1427631906.db2.gz PCCYKJKFJDVHGP-KUHUBIRLSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)n[nH]2)cc1 ZINC000175262093 1427631913 /nfs/dbraw/zinc/63/19/13/1427631913.db2.gz PCCYKJKFJDVHGP-KUHUBIRLSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3Cc4ccccc4C[C@@H]3C)n2)cc1 ZINC000175261722 1427632407 /nfs/dbraw/zinc/63/24/07/1427632407.db2.gz QLBKSUXACIOWLU-AWEZNQCLSA-N 0 1 377.448 3.137 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3Cc4ccccc4C[C@@H]3C)n[nH]2)cc1 ZINC000175261722 1427632413 /nfs/dbraw/zinc/63/24/13/1427632413.db2.gz QLBKSUXACIOWLU-AWEZNQCLSA-N 0 1 377.448 3.137 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175265423 1427634818 /nfs/dbraw/zinc/63/48/18/1427634818.db2.gz IYHXGELYZAZOIG-VGOFRKELSA-N 0 1 395.503 3.271 20 0 GGADMN CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000175267391 1427635844 /nfs/dbraw/zinc/63/58/44/1427635844.db2.gz PJRFEJHECJVAQA-PMACEKPBSA-N 0 1 375.582 3.228 20 0 GGADMN CC(C)CC1(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCC1 ZINC000820063505 1427640916 /nfs/dbraw/zinc/64/09/16/1427640916.db2.gz VBEWVUDDPGUORF-UHFFFAOYSA-N 0 1 396.539 3.117 20 0 GGADMN CC(C)CC1(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000820063505 1427640922 /nfs/dbraw/zinc/64/09/22/1427640922.db2.gz VBEWVUDDPGUORF-UHFFFAOYSA-N 0 1 396.539 3.117 20 0 GGADMN CC(C)CC1(C(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000820063505 1427640927 /nfs/dbraw/zinc/64/09/27/1427640927.db2.gz VBEWVUDDPGUORF-UHFFFAOYSA-N 0 1 396.539 3.117 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc2nc(C3CC3)oc2c1 ZINC000175279080 1427644461 /nfs/dbraw/zinc/64/44/61/1427644461.db2.gz KELDLQVEELIDJY-UHFFFAOYSA-N 0 1 392.440 3.343 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736290761 1427645066 /nfs/dbraw/zinc/64/50/66/1427645066.db2.gz BMRGROIVMAZUPN-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736290761 1427645071 /nfs/dbraw/zinc/64/50/71/1427645071.db2.gz BMRGROIVMAZUPN-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826453392 1427649704 /nfs/dbraw/zinc/64/97/04/1427649704.db2.gz JFZDNCUNSUFEIA-UHFFFAOYSA-N 0 1 396.882 3.411 20 0 GGADMN CCc1noc(-c2ccc(CCNc3[nH+]c(C)cc(C)c3-c3nnn[n-]3)cc2)n1 ZINC000736711498 1427650133 /nfs/dbraw/zinc/65/01/33/1427650133.db2.gz 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CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1c(C)noc1C ZINC000175301501 1427661181 /nfs/dbraw/zinc/66/11/81/1427661181.db2.gz TYDZDIYAELBLOV-UHFFFAOYSA-N 0 1 386.496 3.013 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1cccc(OC)c1 ZINC000175303702 1427662873 /nfs/dbraw/zinc/66/28/73/1427662873.db2.gz SMZDEDJLSFKZSO-UHFFFAOYSA-N 0 1 397.519 3.417 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000175303373 1427663046 /nfs/dbraw/zinc/66/30/46/1427663046.db2.gz MCUMHSUJTGYVKB-WMZOPIPTSA-N 0 1 375.513 3.123 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000175303391 1427663391 /nfs/dbraw/zinc/66/33/91/1427663391.db2.gz MCUMHSUJTGYVKB-FUHWJXTLSA-N 0 1 375.513 3.123 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(F)c(F)c1 ZINC000175306074 1427665289 /nfs/dbraw/zinc/66/52/89/1427665289.db2.gz FIUMJVPXFMGPEY-UHFFFAOYSA-N 0 1 375.419 3.368 20 0 GGADMN CCCCC[C@H](C)NC(=O)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175315937 1427672087 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GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000175329860 1427683409 /nfs/dbraw/zinc/68/34/09/1427683409.db2.gz ASAICUFJMSIXSC-UHFFFAOYSA-N 0 1 385.552 3.114 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCCc1cccc(Cl)c1 ZINC000175331248 1427684374 /nfs/dbraw/zinc/68/43/74/1427684374.db2.gz UPUMWNHEIHWIOD-UHFFFAOYSA-N 0 1 387.892 3.088 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547900 1427684808 /nfs/dbraw/zinc/68/48/08/1427684808.db2.gz UEYRPWRZAYIBIF-BBRMVZONSA-N 0 1 384.434 3.465 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cc21 ZINC000175332590 1427684803 /nfs/dbraw/zinc/68/48/03/1427684803.db2.gz BTZGGYOPCRFJQX-UHFFFAOYSA-N 0 1 393.472 3.255 20 0 GGADMN COC[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)o1 ZINC000175337268 1427688518 /nfs/dbraw/zinc/68/85/18/1427688518.db2.gz XPTWGXJGGFATFY-IBGZPJMESA-N 0 1 389.471 3.378 20 0 GGADMN CC[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(C)(C)c1ccccc1 ZINC000175339661 1427690299 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c1cc2c(cccc2C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC000826515789 1427711074 /nfs/dbraw/zinc/71/10/74/1427711074.db2.gz KXPBUJPQQKLTPJ-UHFFFAOYSA-N 0 1 389.463 3.223 20 0 GGADMN COc1ccc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)c(OC)c1OC ZINC000175368698 1427712885 /nfs/dbraw/zinc/71/28/85/1427712885.db2.gz YERSCENEJQOUGN-UHFFFAOYSA-N 0 1 383.448 3.146 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCN1C[C@@H](C)O ZINC000175370044 1427713843 /nfs/dbraw/zinc/71/38/43/1427713843.db2.gz KEWQXFWZIZCOKZ-YPMHNXCESA-N 0 1 377.382 3.153 20 0 GGADMN CC[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1cc(F)ccc1F ZINC000175370887 1427714682 /nfs/dbraw/zinc/71/46/82/1427714682.db2.gz OKGWHLDZBITADN-HNNXBMFYSA-N 0 1 389.427 3.231 20 0 GGADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)Cc4cc[nH]n4)cc3)CC2)c1 ZINC000175375111 1427716770 /nfs/dbraw/zinc/71/67/70/1427716770.db2.gz CQAQZZRLKGNPBK-UHFFFAOYSA-N 0 1 389.503 3.222 20 0 GGADMN O=C(CCOC1CCOCC1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000175388620 1427725693 /nfs/dbraw/zinc/72/56/93/1427725693.db2.gz ARCIYCHNCQVQDE-UHFFFAOYSA-N 0 1 394.943 3.254 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000175391168 1427727515 /nfs/dbraw/zinc/72/75/15/1427727515.db2.gz HIHPEAJHISJDCI-HNNXBMFYSA-N 0 1 393.944 3.204 20 0 GGADMN CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)C1 ZINC000175391150 1427727614 /nfs/dbraw/zinc/72/76/14/1427727614.db2.gz HIHPEAJHISJDCI-OAHLLOKOSA-N 0 1 393.944 3.204 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CCS1 ZINC000175397608 1427731464 /nfs/dbraw/zinc/73/14/64/1427731464.db2.gz QIOYVRXHWBMGDT-FUHIMQAGSA-N 0 1 391.581 3.333 20 0 GGADMN CSC(C)(C)CNC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000175398574 1427732043 /nfs/dbraw/zinc/73/20/43/1427732043.db2.gz JRCPICQJTOFGMT-HOTGVXAUSA-N 0 1 379.570 3.237 20 0 GGADMN Cc1ccc(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)c1 ZINC000175401454 1427733830 /nfs/dbraw/zinc/73/38/30/1427733830.db2.gz GLBUGEFKDQWFLW-RYGBOPQRSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)CCO2)n[nH]1 ZINC000175413805 1427740792 /nfs/dbraw/zinc/74/07/92/1427740792.db2.gz RSVAQFSDJPUASN-HZPDHXFCSA-N 0 1 375.448 3.123 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175414299 1427741829 /nfs/dbraw/zinc/74/18/29/1427741829.db2.gz RXLCMPZOOMKHAE-RYGBOPQRSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1ccc(C)c(OC[C@@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175414320 1427742106 /nfs/dbraw/zinc/74/21/06/1427742106.db2.gz RXLCMPZOOMKHAE-IAKTWSEQSA-N 0 1 375.534 3.474 20 0 GGADMN C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H]1c1ccccc1 ZINC000824976809 1427751116 /nfs/dbraw/zinc/75/11/16/1427751116.db2.gz PAKMNPKYLDVUCO-UIAACRFSSA-N 0 1 388.475 3.055 20 0 GGADMN C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H]1c1ccccc1 ZINC000824976809 1427751120 /nfs/dbraw/zinc/75/11/20/1427751120.db2.gz PAKMNPKYLDVUCO-UIAACRFSSA-N 0 1 388.475 3.055 20 0 GGADMN CC[NH+](CC)CCC[C@@H](C)Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821190048 1427755492 /nfs/dbraw/zinc/75/54/92/1427755492.db2.gz YEYQAIHTRQVBQP-GFCCVEGCSA-N 0 1 389.454 3.037 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3C)C2)c(-c2nnn[n-]2)c1C ZINC000737424129 1427756532 /nfs/dbraw/zinc/75/65/32/1427756532.db2.gz RWDPQIOLGLXMSQ-GDBMZVCRSA-N 0 1 394.479 3.201 20 0 GGADMN CNC(=O)[C@H]1CCCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175442138 1427757270 /nfs/dbraw/zinc/75/72/70/1427757270.db2.gz SDBOKOVKEABKDW-OALUTQOASA-N 0 1 376.460 3.284 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175442119 1427757306 /nfs/dbraw/zinc/75/73/06/1427757306.db2.gz SDBOKOVKEABKDW-MOPGFXCFSA-N 0 1 376.460 3.284 20 0 GGADMN CC[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1c(F)cccc1F ZINC000736534599 1427757678 /nfs/dbraw/zinc/75/76/78/1427757678.db2.gz KZCSZJSBJXYUJE-UHFFFAOYSA-N 0 1 392.435 3.057 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1c(F)cccc1F ZINC000736534599 1427757682 /nfs/dbraw/zinc/75/76/82/1427757682.db2.gz KZCSZJSBJXYUJE-UHFFFAOYSA-N 0 1 392.435 3.057 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)CCS1 ZINC000824225039 1427758786 /nfs/dbraw/zinc/75/87/86/1427758786.db2.gz RMPIYFRCCUABLW-CQSZACIVSA-N 0 1 382.331 3.203 20 0 GGADMN CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000175449672 1427760855 /nfs/dbraw/zinc/76/08/55/1427760855.db2.gz POUVZGPSHCIGLS-JKSUJKDBSA-N 0 1 378.542 3.033 20 0 GGADMN CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000175449714 1427760965 /nfs/dbraw/zinc/76/09/65/1427760965.db2.gz POUVZGPSHCIGLS-HZPDHXFCSA-N 0 1 378.542 3.033 20 0 GGADMN COC(=O)c1cccc(OCc2noc(CCc3nc4cccc(C)c4[nH]3)n2)c1 ZINC000175457187 1427766026 /nfs/dbraw/zinc/76/60/26/1427766026.db2.gz GTMAIGMOZCLETI-UHFFFAOYSA-N 0 1 392.415 3.405 20 0 GGADMN NC(=O)C[C@H]1CCCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175460277 1427766559 /nfs/dbraw/zinc/76/65/59/1427766559.db2.gz 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COc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1-c1nnn[n-]1 ZINC000821802975 1427778522 /nfs/dbraw/zinc/77/85/22/1427778522.db2.gz AFGGCZPDPRARPU-CQSZACIVSA-N 0 1 389.463 3.220 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000175480854 1427778655 /nfs/dbraw/zinc/77/86/55/1427778655.db2.gz MMQZIBRQAGXZDG-ZUZCIYMTSA-N 0 1 398.294 3.134 20 0 GGADMN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175485358 1427781255 /nfs/dbraw/zinc/78/12/55/1427781255.db2.gz IKXKRWWBPRQORR-QFIPXVFZSA-N 0 1 397.494 3.302 20 0 GGADMN CCc1ccc([C@@H](C)NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000175488981 1427783946 /nfs/dbraw/zinc/78/39/46/1427783946.db2.gz BQRGOXLHOLHIAP-CVEARBPZSA-N 0 1 385.483 3.032 20 0 GGADMN C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824612623 1427784368 /nfs/dbraw/zinc/78/43/68/1427784368.db2.gz NULJAMUICYXZPQ-DNVCBOLYSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824612623 1427784369 /nfs/dbraw/zinc/78/43/69/1427784369.db2.gz NULJAMUICYXZPQ-DNVCBOLYSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824612623 1427784373 /nfs/dbraw/zinc/78/43/73/1427784373.db2.gz NULJAMUICYXZPQ-DNVCBOLYSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000175489944 1427784810 /nfs/dbraw/zinc/78/48/10/1427784810.db2.gz DLCMCESYLNBSRY-IEBWSBKVSA-N 0 1 399.491 3.238 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NCC3(c4cccc(C)c4)CCCC3)CCO2)n[nH]1 ZINC000175490745 1427785432 /nfs/dbraw/zinc/78/54/32/1427785432.db2.gz MSWAEKPRUKLOPZ-SFHVURJKSA-N 0 1 383.496 3.016 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C2CCOCC2)CC1 ZINC000175502126 1427792645 /nfs/dbraw/zinc/79/26/45/1427792645.db2.gz FHMUNVGCBUAHPZ-AWEZNQCLSA-N 0 1 376.888 3.248 20 0 GGADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C2CCOCC2)CC1 ZINC000175502150 1427792882 /nfs/dbraw/zinc/79/28/82/1427792882.db2.gz FHMUNVGCBUAHPZ-CQSZACIVSA-N 0 1 376.888 3.248 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)CC1 ZINC000175504699 1427793281 /nfs/dbraw/zinc/79/32/81/1427793281.db2.gz OCCKFKQIEJILLS-UHFFFAOYSA-N 0 1 399.583 3.052 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000175506133 1427794259 /nfs/dbraw/zinc/79/42/59/1427794259.db2.gz MLGBZTPIMBULOT-UHFFFAOYSA-N 0 1 394.519 3.219 20 0 GGADMN C=CC(=O)NCc1ccc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1 ZINC000175505811 1427794353 /nfs/dbraw/zinc/79/43/53/1427794353.db2.gz HFFVCYYVCFCCRI-UHFFFAOYSA-N 0 1 397.563 3.461 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3cccnc3-n3cccn3)CC2)CC1 ZINC000175505222 1427794578 /nfs/dbraw/zinc/79/45/78/1427794578.db2.gz UZQQRWDSAYEZBC-UHFFFAOYSA-N 0 1 381.524 3.240 20 0 GGADMN CC[C@@H](NC(=O)NCCCN1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000175506720 1427795108 /nfs/dbraw/zinc/79/51/08/1427795108.db2.gz RDQMDNLNNOQKCX-OAQYLSRUSA-N 0 1 381.524 3.044 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)CC1 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NVWIJWLNCVTKNL-UHFFFAOYSA-N 0 1 381.528 3.350 20 0 GGADMN CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H](N2CCN(CC)CC2)C1 ZINC000175525993 1427803880 /nfs/dbraw/zinc/80/38/80/1427803880.db2.gz RAPGSISRNMJUQK-YADHBBJMSA-N 0 1 386.584 3.209 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175531122 1427805570 /nfs/dbraw/zinc/80/55/70/1427805570.db2.gz FTWWZBHFBHXVJS-ISKFKSNPSA-N 0 1 375.516 3.456 20 0 GGADMN Cc1ccccc1NC(=O)CCN1CCN(c2ncnc3sccc32)CC1 ZINC000175532587 1427806547 /nfs/dbraw/zinc/80/65/47/1427806547.db2.gz XMCDRVQEIARAKN-UHFFFAOYSA-N 0 1 381.505 3.151 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000175554532 1427813571 /nfs/dbraw/zinc/81/35/71/1427813571.db2.gz QIPTTWNUCAUFJG-RTWAWAEBSA-N 0 1 397.519 3.498 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NCC1(CCO)CCCCC1 ZINC000175564912 1427817169 /nfs/dbraw/zinc/81/71/69/1427817169.db2.gz SAZOFYYAAILYSX-GOSISDBHSA-N 0 1 377.529 3.439 20 0 GGADMN CN(CCNC(=O)NCc1ccnc(N2CCCCC2)c1)Cc1ccc(F)cc1 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AQTKKLLXBZXOKU-UHFFFAOYSA-N 0 1 396.963 3.402 20 0 GGADMN CCS[C@H]1CCC[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000175589229 1427824029 /nfs/dbraw/zinc/82/40/29/1427824029.db2.gz DMTSBIFANRKKAO-MJGOQNOKSA-N 0 1 376.570 3.410 20 0 GGADMN Cc1cc(C)n(-c2ccc(CNC(=O)CCc3nc4cccc(C)c4[nH]3)cn2)n1 ZINC000175590979 1427824832 /nfs/dbraw/zinc/82/48/32/1427824832.db2.gz RNKOGSJQASXHNV-UHFFFAOYSA-N 0 1 388.475 3.318 20 0 GGADMN O=C(Nc1ccccc1N1CCCCCC1)N1CCN(C2CCOCC2)CC1 ZINC000175602418 1427828195 /nfs/dbraw/zinc/82/81/95/1427828195.db2.gz OULTWFGAZKZFOY-UHFFFAOYSA-N 0 1 386.540 3.396 20 0 GGADMN CC(C)[C@@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)c1cccnc1 ZINC000175618457 1427833762 /nfs/dbraw/zinc/83/37/62/1427833762.db2.gz SJNZKENZFXQKDL-HXUWFJFHSA-N 0 1 388.556 3.156 20 0 GGADMN Cc1sc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c(-c2nnn[n-]2)c1C ZINC000822556883 1427834982 /nfs/dbraw/zinc/83/49/82/1427834982.db2.gz DBNWCLHTJGDJSW-UHFFFAOYSA-N 0 1 396.520 3.363 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H](c2cccnc2)C(C)C)N(C)C)c1 ZINC000175624398 1427836389 /nfs/dbraw/zinc/83/63/89/1427836389.db2.gz SORNCBAZUKUXIQ-RTWAWAEBSA-N 0 1 384.524 3.432 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1cccs1 ZINC000175627605 1427837361 /nfs/dbraw/zinc/83/73/61/1427837361.db2.gz GOFZZJKIOLNVTP-MSOLQXFVSA-N 0 1 395.569 3.111 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1cccs1 ZINC000175635321 1427839449 /nfs/dbraw/zinc/83/94/49/1427839449.db2.gz NUQSSIHGWHENOO-KRWDZBQOSA-N 0 1 394.491 3.161 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1Cl ZINC000175642463 1427841505 /nfs/dbraw/zinc/84/15/05/1427841505.db2.gz XRDGMCHBWKGEAI-UHFFFAOYSA-N 0 1 381.904 3.457 20 0 GGADMN O=C(C[C@H]1CCOc2ccccc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000175650023 1427844534 /nfs/dbraw/zinc/84/45/34/1427844534.db2.gz VIIIPYLJVIEEJY-LJQANCHMSA-N 0 1 386.536 3.342 20 0 GGADMN CCS[C@@H]1CCC[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000175653030 1427845384 /nfs/dbraw/zinc/84/53/84/1427845384.db2.gz GDLMPXMCIPGXHD-RBUKOAKNSA-N 0 1 376.570 3.410 20 0 GGADMN O=C(Cc1ccc(OC(F)F)cc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000175658134 1427847162 /nfs/dbraw/zinc/84/71/62/1427847162.db2.gz UNRFIKOZBDPYSM-UHFFFAOYSA-N 0 1 396.478 3.229 20 0 GGADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000175658333 1427847230 /nfs/dbraw/zinc/84/72/30/1427847230.db2.gz FFBZTKIRFXSWNP-IIBYNOLFSA-N 0 1 389.515 3.203 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)NCC2(CN3CCOCC3)CCCCC2)n1 ZINC000175657661 1427847265 /nfs/dbraw/zinc/84/72/65/1427847265.db2.gz KRPSLOFYYLSVSQ-UHFFFAOYSA-N 0 1 398.507 3.058 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1C ZINC000175659052 1427847453 /nfs/dbraw/zinc/84/74/53/1427847453.db2.gz UNUIUQDHEGPOPN-UHFFFAOYSA-N 0 1 388.512 3.062 20 0 GGADMN Cc1cccc2c(CC(=O)NCC3(CN4CCOCC4)CCCCC3)c[nH]c21 ZINC000175661445 1427848382 /nfs/dbraw/zinc/84/83/82/1427848382.db2.gz UIYGMWBVVUOFMY-UHFFFAOYSA-N 0 1 383.536 3.418 20 0 GGADMN Cc1cccc2[nH]cc(CC(=O)NCC3(CN4CCOCC4)CCCCC3)c21 ZINC000175663808 1427849345 /nfs/dbraw/zinc/84/93/45/1427849345.db2.gz XIWVBZTVCWJUIG-UHFFFAOYSA-N 0 1 383.536 3.418 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cnn1Cc1ccccc1 ZINC000175666242 1427850073 /nfs/dbraw/zinc/85/00/73/1427850073.db2.gz NVRZZAIAYUNRPW-UHFFFAOYSA-N 0 1 389.503 3.029 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000175669704 1427850971 /nfs/dbraw/zinc/85/09/71/1427850971.db2.gz RALOQZRKCWVKHZ-UHFFFAOYSA-N 0 1 379.439 3.005 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000175672848 1427852092 /nfs/dbraw/zinc/85/20/92/1427852092.db2.gz FYPBUSGKQGSCFZ-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN Cc1nc2cc(F)cc(C(=O)NC3CCN(Cc4cccnc4)CC3)c2nc1C ZINC000175676903 1427853389 /nfs/dbraw/zinc/85/33/89/1427853389.db2.gz MXCMIKFILTYGAI-UHFFFAOYSA-N 0 1 393.466 3.175 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175677354 1427853733 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GGADMN CCCCN(C)C(=O)C1CCN(C(=O)CCc2nc3cccc(C)c3[nH]2)CC1 ZINC000175688832 1427858347 /nfs/dbraw/zinc/85/83/47/1427858347.db2.gz CLMQIBFSVXSHND-UHFFFAOYSA-N 0 1 384.524 3.301 20 0 GGADMN CCN(C[C@@H]1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1)CC(F)(F)F ZINC000175691085 1427859381 /nfs/dbraw/zinc/85/93/81/1427859381.db2.gz UABRSNCVUUUHGD-SJORKVTESA-N 0 1 397.485 3.166 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C)N1CCN(C)CC1 ZINC000175700109 1427862948 /nfs/dbraw/zinc/86/29/48/1427862948.db2.gz OHTTUNPKFQTTHB-UXHICEINSA-N 0 1 392.563 3.484 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000175705962 1427865080 /nfs/dbraw/zinc/86/50/80/1427865080.db2.gz DNKQSWLXBDTROV-MNOVXSKESA-N 0 1 375.391 3.249 20 0 GGADMN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000175707348 1427865922 /nfs/dbraw/zinc/86/59/22/1427865922.db2.gz PCUCWKINZHHOEC-UHFFFAOYSA-N 0 1 397.523 3.460 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3cccc(OC(F)(F)F)c3)C2=O)n(C)n1 ZINC000175707771 1427866014 /nfs/dbraw/zinc/86/60/14/1427866014.db2.gz XCFROXGBJUYLIO-IUODEOHRSA-N 0 1 382.386 3.083 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3cccc(OC(F)(F)F)c3)C2=O)n(C)n1 ZINC000175707752 1427866064 /nfs/dbraw/zinc/86/60/64/1427866064.db2.gz XCFROXGBJUYLIO-DOMZBBRYSA-N 0 1 382.386 3.083 20 0 GGADMN C[S@](=O)c1ccc(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1 ZINC000175714219 1427867793 /nfs/dbraw/zinc/86/77/93/1427867793.db2.gz XXCYRJHVKUOMIW-NDEPHWFRSA-N 0 1 399.560 3.230 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175716977 1427868690 /nfs/dbraw/zinc/86/86/90/1427868690.db2.gz DBFKCCFJNAGKOD-LSDHHAIUSA-N 0 1 385.430 3.130 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175717002 1427868861 /nfs/dbraw/zinc/86/88/61/1427868861.db2.gz DBFKCCFJNAGKOD-HUUCEWRRSA-N 0 1 385.430 3.130 20 0 GGADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000175720308 1427869139 /nfs/dbraw/zinc/86/91/39/1427869139.db2.gz YUJBLPLZCSBCCQ-CHWSQXEVSA-N 0 1 386.887 3.093 20 0 GGADMN Cc1csc(CCCCNC(=O)NCCN(C)Cc2ccc(F)cc2)n1 ZINC000175721974 1427869680 /nfs/dbraw/zinc/86/96/80/1427869680.db2.gz CLLLTHIIAAPOMG-UHFFFAOYSA-N 0 1 378.517 3.345 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(CC)CC ZINC000175729002 1427871509 /nfs/dbraw/zinc/87/15/09/1427871509.db2.gz HTDFKYBNEAEZKV-WOJBJXKFSA-N 0 1 388.556 3.329 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3ccc(CCN4CCOCC4)cc3)[nH]c21 ZINC000175741926 1427876165 /nfs/dbraw/zinc/87/61/65/1427876165.db2.gz ASBUYDDDRARJPK-UHFFFAOYSA-N 0 1 392.503 3.317 20 0 GGADMN C[S@@](=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000175751153 1427878476 /nfs/dbraw/zinc/87/84/76/1427878476.db2.gz VORRVGWEBWXVPB-WGDIFIGCSA-N 0 1 375.494 3.366 20 0 GGADMN CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821087592 1427881318 /nfs/dbraw/zinc/88/13/18/1427881318.db2.gz DRWMGUAFXBQFSH-UHFFFAOYSA-N 0 1 382.443 3.165 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821087592 1427881323 /nfs/dbraw/zinc/88/13/23/1427881323.db2.gz DRWMGUAFXBQFSH-UHFFFAOYSA-N 0 1 382.443 3.165 20 0 GGADMN Clc1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826352104 1427887990 /nfs/dbraw/zinc/88/79/90/1427887990.db2.gz NSAIVSRPJPJJPU-UHFFFAOYSA-N 0 1 388.928 3.336 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1)C1CC1 ZINC000175774083 1427888263 /nfs/dbraw/zinc/88/82/63/1427888263.db2.gz IYEBVZVDQVFSEZ-LBPRGKRZSA-N 0 1 385.468 3.481 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1)C1CC1 ZINC000175774083 1427888267 /nfs/dbraw/zinc/88/82/67/1427888267.db2.gz IYEBVZVDQVFSEZ-LBPRGKRZSA-N 0 1 385.468 3.481 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000175774552 1427888525 /nfs/dbraw/zinc/88/85/25/1427888525.db2.gz OEPSFLSYYBRWNK-MHZLTWQESA-N 0 1 386.521 3.128 20 0 GGADMN COCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)n1 ZINC000175777666 1427888882 /nfs/dbraw/zinc/88/88/82/1427888882.db2.gz LCKYIBXKTTYVCW-UHFFFAOYSA-N 0 1 393.852 3.380 20 0 GGADMN Cc1cccc(Oc2ccccc2NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000175793938 1427895371 /nfs/dbraw/zinc/89/53/71/1427895371.db2.gz JIMRPLXXLFCQPI-IAGOWNOFSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)cc2)c1 ZINC000175795284 1427896196 /nfs/dbraw/zinc/89/61/96/1427896196.db2.gz PBINLUKNDJDIOA-SJLPKXTDSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)cc2)cc1 ZINC000175797477 1427896601 /nfs/dbraw/zinc/89/66/01/1427896601.db2.gz YFPCNKMNRSMCDR-FUHWJXTLSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1cccc2nc(CCC(=O)N[C@H](CN3CCCC3=O)c3ccccc3)[nH]c21 ZINC000175801250 1427897916 /nfs/dbraw/zinc/89/79/16/1427897916.db2.gz RKWLIVZWYQSGKS-LJQANCHMSA-N 0 1 390.487 3.284 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000175801154 1427897996 /nfs/dbraw/zinc/89/79/96/1427897996.db2.gz RRACNOHEEBEZNR-NVXWUHKLSA-N 0 1 397.466 3.103 20 0 GGADMN Cc1[nH]ccc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000175804095 1427899196 /nfs/dbraw/zinc/89/91/96/1427899196.db2.gz KVHPETNJGZEOOG-UHFFFAOYSA-N 0 1 375.476 3.293 20 0 GGADMN CCS[C@H]1CCC[C@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C1 ZINC000175804826 1427899413 /nfs/dbraw/zinc/89/94/13/1427899413.db2.gz WAFYFEMAWVSVIA-HOCLYGCPSA-N 0 1 389.525 3.344 20 0 GGADMN CCS[C@H]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C1 ZINC000175804826 1427899415 /nfs/dbraw/zinc/89/94/15/1427899415.db2.gz WAFYFEMAWVSVIA-HOCLYGCPSA-N 0 1 389.525 3.344 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175806658 1427900499 /nfs/dbraw/zinc/90/04/99/1427900499.db2.gz GMHZJSODDHXPAC-DLBZAZTESA-N 0 1 384.524 3.347 20 0 GGADMN Cc1csc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000175811429 1427904151 /nfs/dbraw/zinc/90/41/51/1427904151.db2.gz HMOIJRRXOMGEFM-CQSZACIVSA-N 0 1 392.550 3.041 20 0 GGADMN COC(=O)C[C@@H](NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000175813285 1427905313 /nfs/dbraw/zinc/90/53/13/1427905313.db2.gz QABYGHIFMSOGJA-SECBINFHSA-N 0 1 386.139 3.070 20 0 GGADMN Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000826350130 1427905561 /nfs/dbraw/zinc/90/55/61/1427905561.db2.gz JQJYNROUZHEGJE-GHMZBOCLSA-N 0 1 394.508 3.482 20 0 GGADMN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)CC3)c2c1 ZINC000175818876 1427908988 /nfs/dbraw/zinc/90/89/88/1427908988.db2.gz GDIGRWMAZDYODS-UHFFFAOYSA-N 0 1 381.520 3.258 20 0 GGADMN Cc1cnc([C@H](NC(=O)NCCN(C)Cc2ccc(F)cc2)C2CC2)s1 ZINC000175818283 1427909505 /nfs/dbraw/zinc/90/95/05/1427909505.db2.gz YDFFOGJVDFLDDS-QGZVFWFLSA-N 0 1 376.501 3.473 20 0 GGADMN Cc1cnc([C@@H](NC(=O)NCCN(C)Cc2ccc(F)cc2)C2CC2)s1 ZINC000175818304 1427909523 /nfs/dbraw/zinc/90/95/23/1427909523.db2.gz YDFFOGJVDFLDDS-KRWDZBQOSA-N 0 1 376.501 3.473 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@@H](O)c1cccs1)NCCCOC1CCCCC1 ZINC000175820588 1427909893 /nfs/dbraw/zinc/90/98/93/1427909893.db2.gz SWCCTSVMVYDZLR-PKOBYXMFSA-N 0 1 394.581 3.492 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000826310810 1427914879 /nfs/dbraw/zinc/91/48/79/1427914879.db2.gz IVGRYVHQIARIFU-CQSZACIVSA-N 0 1 390.369 3.167 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175828410 1427914920 /nfs/dbraw/zinc/91/49/20/1427914920.db2.gz QMBCKOKASMEYCI-WMZOPIPTSA-N 0 1 394.562 3.087 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1cc(C(F)(F)F)ccc1O ZINC000175827995 1427915067 /nfs/dbraw/zinc/91/50/67/1427915067.db2.gz UKGGORSICMDHFG-UHFFFAOYSA-N 0 1 392.337 3.046 20 0 GGADMN Cc1c(C(=O)Nc2ccc3[nH]nnc3c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000175828777 1427915619 /nfs/dbraw/zinc/91/56/19/1427915619.db2.gz WTYKKPFHPYSRBQ-UHFFFAOYSA-N 0 1 394.460 3.016 20 0 GGADMN COc1cccc(CN(C)C(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175833619 1427917510 /nfs/dbraw/zinc/91/75/10/1427917510.db2.gz GKYFUTJXEXWADR-HKUYNNGSSA-N 0 1 388.533 3.303 20 0 GGADMN CNC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000175834360 1427918364 /nfs/dbraw/zinc/91/83/64/1427918364.db2.gz RLJNTCQSETZIPK-QGZVFWFLSA-N 0 1 376.460 3.251 20 0 GGADMN CNC(=O)c1cccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000175834380 1427918542 /nfs/dbraw/zinc/91/85/42/1427918542.db2.gz RLJNTCQSETZIPK-KRWDZBQOSA-N 0 1 376.460 3.251 20 0 GGADMN Cc1cccc(OCCNC(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175834001 1427918606 /nfs/dbraw/zinc/91/86/06/1427918606.db2.gz UUMHWXIEAPBYIE-MJGOQNOKSA-N 0 1 388.533 3.140 20 0 GGADMN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175834407 1427918725 /nfs/dbraw/zinc/91/87/25/1427918725.db2.gz SVCSWJZVORRKIP-UHFFFAOYSA-N 0 1 389.883 3.240 20 0 GGADMN COCc1ccc(CNC(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175835828 1427919327 /nfs/dbraw/zinc/91/93/27/1427919327.db2.gz GAVCBAAZKHTKSL-MOPGFXCFSA-N 0 1 388.533 3.099 20 0 GGADMN COCc1ccccc1CNC(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175835781 1427919410 /nfs/dbraw/zinc/91/94/10/1427919410.db2.gz QOFKVTIYIJIKBQ-MOPGFXCFSA-N 0 1 388.533 3.099 20 0 GGADMN O=C(CCCCc1nc2ccccc2s1)N1CCN(C2CCOCC2)CC1 ZINC000175835131 1427919463 /nfs/dbraw/zinc/91/94/63/1427919463.db2.gz OTFGJJFVAQBVRL-UHFFFAOYSA-N 0 1 387.549 3.332 20 0 GGADMN O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000175842770 1427924846 /nfs/dbraw/zinc/92/48/46/1427924846.db2.gz DRIOIWOZIIFOFN-QFIPXVFZSA-N 0 1 380.488 3.130 20 0 GGADMN O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000175842319 1427924953 /nfs/dbraw/zinc/92/49/53/1427924953.db2.gz NABHDGFHNLQGCY-IRXDYDNUSA-N 0 1 382.426 3.132 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000175844876 1427926713 /nfs/dbraw/zinc/92/67/13/1427926713.db2.gz NGKOQIKVLMCIMH-HOCLYGCPSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000175844828 1427926889 /nfs/dbraw/zinc/92/68/89/1427926889.db2.gz NGKOQIKVLMCIMH-GDBMZVCRSA-N 0 1 380.460 3.296 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC000175846825 1427928565 /nfs/dbraw/zinc/92/85/65/1427928565.db2.gz ORGHPTQMLXESBI-KSSFIOAISA-N 0 1 380.460 3.296 20 0 GGADMN COCc1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000175847677 1427929536 /nfs/dbraw/zinc/92/95/36/1427929536.db2.gz MVGKVNXAPFHSML-FXAWDEMLSA-N 0 1 388.533 3.164 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175849503 1427930906 /nfs/dbraw/zinc/93/09/06/1427930906.db2.gz FLYQSJGPJCQFRT-MSOLQXFVSA-N 0 1 388.533 3.303 20 0 GGADMN O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000738232195 1427931764 /nfs/dbraw/zinc/93/17/64/1427931764.db2.gz QKGOCIZCIIOBHS-IBGZPJMESA-N 0 1 395.438 3.104 20 0 GGADMN O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCN(C2CCOCC2)CC1 ZINC000175854066 1427933809 /nfs/dbraw/zinc/93/38/09/1427933809.db2.gz YAHWOUMBOQKSIC-ROUUACIJSA-N 0 1 382.426 3.132 20 0 GGADMN O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(C2CCOCC2)CC1 ZINC000175856304 1427935541 /nfs/dbraw/zinc/93/55/41/1427935541.db2.gz RDIFNZXLKIZQOE-UHFFFAOYSA-N 0 1 391.924 3.400 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736229002 1427935610 /nfs/dbraw/zinc/93/56/10/1427935610.db2.gz PMKOOFDXLJPMCH-OXQOHEQNSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736229002 1427935614 /nfs/dbraw/zinc/93/56/14/1427935614.db2.gz PMKOOFDXLJPMCH-OXQOHEQNSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1C[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736229002 1427935617 /nfs/dbraw/zinc/93/56/17/1427935617.db2.gz PMKOOFDXLJPMCH-OXQOHEQNSA-N 0 1 394.498 3.491 20 0 GGADMN c1c2c([nH+]c(NCCc3nc4c(s3)CCCC4)c1-c1nnn[n-]1)CCCC2 ZINC000826511706 1427935629 /nfs/dbraw/zinc/93/56/29/1427935629.db2.gz BHTITKVSVJTWEZ-UHFFFAOYSA-N 0 1 381.509 3.130 20 0 GGADMN O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1)NC(=O)NC1CCCC1 ZINC000175862976 1427938857 /nfs/dbraw/zinc/93/88/57/1427938857.db2.gz BBMGKXYOLIOSGY-IAGOWNOFSA-N 0 1 393.553 3.185 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175865001 1427940798 /nfs/dbraw/zinc/94/07/98/1427940798.db2.gz VMLFNOAEAWMBAU-GJZGRUSLSA-N 0 1 381.542 3.041 20 0 GGADMN C[C@@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)N1CCc2ccccc2C1 ZINC000175869344 1427943049 /nfs/dbraw/zinc/94/30/49/1427943049.db2.gz YMKPTRZAADNNKX-HPGBDJQBSA-N 0 1 399.560 3.012 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821042485 1427944723 /nfs/dbraw/zinc/94/47/23/1427944723.db2.gz CKMDGJDWWDVEIW-HNNXBMFYSA-N 0 1 392.479 3.179 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)C[C@H](C)O1 ZINC000820759111 1427944960 /nfs/dbraw/zinc/94/49/60/1427944960.db2.gz HGSGGAQJWRXCOP-OKILXGFUSA-N 0 1 384.509 3.150 20 0 GGADMN O=C(NCc1cccc(Oc2ccccc2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175880876 1427949248 /nfs/dbraw/zinc/94/92/48/1427949248.db2.gz WVLLFKGAGPIPNN-FQEVSTJZSA-N 0 1 395.503 3.343 20 0 GGADMN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175891869 1427954885 /nfs/dbraw/zinc/95/48/85/1427954885.db2.gz UPJSAMNCABNVQE-UTKZUKDTSA-N 0 1 389.515 3.421 20 0 GGADMN Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)N3CCN(C)CC3)c2c1 ZINC000175892321 1427954916 /nfs/dbraw/zinc/95/49/16/1427954916.db2.gz DCNCBARRMRENPE-KRWDZBQOSA-N 0 1 380.536 3.095 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822234737 1427955176 /nfs/dbraw/zinc/95/51/76/1427955176.db2.gz GCODFEMYWIKNBV-QGZVFWFLSA-N 0 1 394.479 3.031 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)N2CCCC2)o1 ZINC000175895660 1427956223 /nfs/dbraw/zinc/95/62/23/1427956223.db2.gz CTAPYBZPWRAHOB-OQRWROFFSA-N 0 1 393.484 3.423 20 0 GGADMN CC(C)[N@H+]1CCCN(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000735881623 1427956548 /nfs/dbraw/zinc/95/65/48/1427956548.db2.gz KDVOXPJALODBST-UHFFFAOYSA-N 0 1 376.508 3.450 20 0 GGADMN CC(C)[N@@H+]1CCCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000735881623 1427956550 /nfs/dbraw/zinc/95/65/50/1427956550.db2.gz KDVOXPJALODBST-UHFFFAOYSA-N 0 1 376.508 3.450 20 0 GGADMN CC(C)[N@H+]1CCCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000735881623 1427956555 /nfs/dbraw/zinc/95/65/55/1427956555.db2.gz KDVOXPJALODBST-UHFFFAOYSA-N 0 1 376.508 3.450 20 0 GGADMN CCSc1ccc(Cl)cc1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000175894788 1427956858 /nfs/dbraw/zinc/95/68/58/1427956858.db2.gz RARKCVWIKJSEAQ-UHFFFAOYSA-N 0 1 390.896 3.335 20 0 GGADMN Cc1ccccc1CCCN1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000175901154 1427960528 /nfs/dbraw/zinc/96/05/28/1427960528.db2.gz LPWODCSSLAUHOX-UHFFFAOYSA-N 0 1 377.532 3.135 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCOc3cccc(C(N)=O)c3)[nH]c2c1 ZINC000175905084 1427962523 /nfs/dbraw/zinc/96/25/23/1427962523.db2.gz NYJAVTQOSZBMBY-IBGZPJMESA-N 0 1 392.459 3.103 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1cccs1 ZINC000175909803 1427965977 /nfs/dbraw/zinc/96/59/77/1427965977.db2.gz NNVHCYXLUXGRSO-RBUKOAKNSA-N 0 1 387.549 3.432 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@H](C)c1c(F)cccc1Cl)N1CCN(C)CC1 ZINC000175916706 1427970459 /nfs/dbraw/zinc/97/04/59/1427970459.db2.gz FCCJDLSAMBOADX-PBHICJAKSA-N 0 1 384.927 3.111 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000175921081 1427972697 /nfs/dbraw/zinc/97/26/97/1427972697.db2.gz ALCVYQLOZTXPEC-WZQKQDCOSA-N 0 1 379.457 3.115 20 0 GGADMN C[S@@](=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1F ZINC000175921031 1427973032 /nfs/dbraw/zinc/97/30/32/1427973032.db2.gz ALCVYQLOZTXPEC-QWXGXRTQSA-N 0 1 379.457 3.115 20 0 GGADMN COCc1nc2cc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)ccc2o1 ZINC000175921842 1427973614 /nfs/dbraw/zinc/97/36/14/1427973614.db2.gz SYNDWLXPBLRQGS-UHFFFAOYSA-N 0 1 388.232 3.477 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000175927969 1427978895 /nfs/dbraw/zinc/97/88/95/1427978895.db2.gz PCWHMEFYZSLWPK-RTWAWAEBSA-N 0 1 385.483 3.120 20 0 GGADMN CCCO[C@H]1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000175930218 1427979524 /nfs/dbraw/zinc/97/95/24/1427979524.db2.gz WFPYVIRSINRQJQ-FQEVSTJZSA-N 0 1 395.588 3.260 20 0 GGADMN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1(N2CCOCC2)CCCC1 ZINC000175931293 1427980383 /nfs/dbraw/zinc/98/03/83/1427980383.db2.gz TYSRHNLIGWPKSQ-USXIJHARSA-N 0 1 378.463 3.218 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000175932189 1427980972 /nfs/dbraw/zinc/98/09/72/1427980972.db2.gz FCPIWXWSHRAHJB-PMACEKPBSA-N 0 1 385.483 3.336 20 0 GGADMN COCCn1cc(C(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c2ccccc21 ZINC000175933563 1427981842 /nfs/dbraw/zinc/98/18/42/1427981842.db2.gz RGENVIPLEQLGJF-GOSISDBHSA-N 0 1 399.535 3.051 20 0 GGADMN Cc1cc(-c2cc(C(=O)N[C@H](C)c3nnc[nH]3)c3c(C)noc3n2)c(C)s1 ZINC000175937912 1427983863 /nfs/dbraw/zinc/98/38/63/1427983863.db2.gz CDYFAELFSBXTNG-SNVBAGLBSA-N 0 1 382.449 3.486 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735597662 1427989786 /nfs/dbraw/zinc/98/97/86/1427989786.db2.gz RPPOGEUMYWVCLT-OAHLLOKOSA-N 0 1 376.892 3.359 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735597662 1427989788 /nfs/dbraw/zinc/98/97/88/1427989788.db2.gz RPPOGEUMYWVCLT-OAHLLOKOSA-N 0 1 376.892 3.359 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735597662 1427989792 /nfs/dbraw/zinc/98/97/92/1427989792.db2.gz RPPOGEUMYWVCLT-OAHLLOKOSA-N 0 1 376.892 3.359 20 0 GGADMN CN(CCNC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1ccc(F)cc1 ZINC000175947712 1427989971 /nfs/dbraw/zinc/98/99/71/1427989971.db2.gz WYRNUTBETQHEIY-MRXNPFEDSA-N 0 1 376.501 3.303 20 0 GGADMN Cc1cccn2c(=O)cc(CN3CC[C@H](OCCCc4ccccc4)C3)nc12 ZINC000175949832 1427991478 /nfs/dbraw/zinc/99/14/78/1427991478.db2.gz KWTLTXMAXKCFBK-NRFANRHFSA-N 0 1 377.488 3.227 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175957389 1427996984 /nfs/dbraw/zinc/99/69/84/1427996984.db2.gz MJUIMYUVZQQFAJ-IRXDYDNUSA-N 0 1 384.524 3.347 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175957326 1427997194 /nfs/dbraw/zinc/99/71/94/1427997194.db2.gz MJUIMYUVZQQFAJ-IAGOWNOFSA-N 0 1 384.524 3.347 20 0 GGADMN C[C@@H]1C[C@@H]1[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000824898651 1427997563 /nfs/dbraw/zinc/99/75/63/1427997563.db2.gz GMZMDIZTDWKLTI-SZZJOZGLSA-N 0 1 396.882 3.033 20 0 GGADMN O=c1c2ccccc2ncn1CCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175961163 1427999667 /nfs/dbraw/zinc/99/96/67/1427999667.db2.gz RGIWKUMKZAOLIL-HXUWFJFHSA-N 0 1 377.488 3.120 20 0 GGADMN Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)nc(N)c2c1C ZINC000826350132 1428000101 /nfs/dbraw/zinc/00/01/01/1428000101.db2.gz JQJYNROUZHEGJE-QWRGUYRKSA-N 0 1 394.508 3.482 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCC(C(=O)N[C@H](C)C(C)C)CC3)[nH]c21 ZINC000175979277 1428010179 /nfs/dbraw/zinc/01/01/79/1428010179.db2.gz FTIHMZKIHDFGRM-MRXNPFEDSA-N 0 1 384.524 3.203 20 0 GGADMN Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000737309108 1428012061 /nfs/dbraw/zinc/01/20/61/1428012061.db2.gz GMICNXNRKGJSDN-AWEZNQCLSA-N 0 1 396.520 3.192 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)o3)cn2)CC1 ZINC000175987543 1428014499 /nfs/dbraw/zinc/01/44/99/1428014499.db2.gz FDUBBNGKZKRKHC-UHFFFAOYSA-N 0 1 392.459 3.149 20 0 GGADMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000175987690 1428014812 /nfs/dbraw/zinc/01/48/12/1428014812.db2.gz FEZWGVOCZVUHID-KRWDZBQOSA-N 0 1 388.899 3.283 20 0 GGADMN CCC[N@@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825313792 1428018232 /nfs/dbraw/zinc/01/82/32/1428018232.db2.gz REVZYWFWICGFJY-UHFFFAOYSA-N 0 1 391.479 3.224 20 0 GGADMN CCC[N@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825313792 1428018239 /nfs/dbraw/zinc/01/82/39/1428018239.db2.gz REVZYWFWICGFJY-UHFFFAOYSA-N 0 1 391.479 3.224 20 0 GGADMN CCC[N@@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825313792 1428018248 /nfs/dbraw/zinc/01/82/48/1428018248.db2.gz REVZYWFWICGFJY-UHFFFAOYSA-N 0 1 391.479 3.224 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826177297 1428027180 /nfs/dbraw/zinc/02/71/80/1428027180.db2.gz BVHRSAZAHJYOPQ-LBPRGKRZSA-N 0 1 385.493 3.457 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1ccco1 ZINC000176013036 1428027655 /nfs/dbraw/zinc/02/76/55/1428027655.db2.gz XZBDIXXPBYXGIG-XRHLQHRESA-N 0 1 391.537 3.242 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000176019571 1428030560 /nfs/dbraw/zinc/03/05/60/1428030560.db2.gz MPTXSYLHBMOAFR-UHFFFAOYSA-N 0 1 395.290 3.401 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000820116236 1428031079 /nfs/dbraw/zinc/03/10/79/1428031079.db2.gz FYQZDHUBIXVLKW-IBGZPJMESA-N 0 1 396.539 3.258 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000820116236 1428031084 /nfs/dbraw/zinc/03/10/84/1428031084.db2.gz FYQZDHUBIXVLKW-IBGZPJMESA-N 0 1 396.539 3.258 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000820116236 1428031091 /nfs/dbraw/zinc/03/10/91/1428031091.db2.gz FYQZDHUBIXVLKW-IBGZPJMESA-N 0 1 396.539 3.258 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(CC)Cc1ccccn1 ZINC000176023616 1428032604 /nfs/dbraw/zinc/03/26/04/1428032604.db2.gz YALLHWFKSYUWLH-UHFFFAOYSA-N 0 1 397.523 3.286 20 0 GGADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000176033667 1428037833 /nfs/dbraw/zinc/03/78/33/1428037833.db2.gz YTKBPACGXRDPSZ-UHFFFAOYSA-N 0 1 376.460 3.038 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1)c1ccccc1 ZINC000176038905 1428040679 /nfs/dbraw/zinc/04/06/79/1428040679.db2.gz STABYYZOCYDYAZ-LJQANCHMSA-N 0 1 399.466 3.115 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccccc1 ZINC000176039123 1428040869 /nfs/dbraw/zinc/04/08/69/1428040869.db2.gz WEJQDTWVZRVEOA-LJQANCHMSA-N 0 1 382.508 3.408 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccccc1 ZINC000176039137 1428040949 /nfs/dbraw/zinc/04/09/49/1428040949.db2.gz WEJQDTWVZRVEOA-IBGZPJMESA-N 0 1 382.508 3.408 20 0 GGADMN CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176040049 1428041681 /nfs/dbraw/zinc/04/16/81/1428041681.db2.gz NFBVONWEAUMPON-IBGZPJMESA-N 0 1 383.496 3.247 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000176040747 1428042616 /nfs/dbraw/zinc/04/26/16/1428042616.db2.gz INMSCIVJDWNZAY-MRXNPFEDSA-N 0 1 398.482 3.083 20 0 GGADMN COc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176043422 1428045351 /nfs/dbraw/zinc/04/53/51/1428045351.db2.gz YUNACQSHDSVOMQ-FQEVSTJZSA-N 0 1 396.491 3.225 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000176045461 1428047118 /nfs/dbraw/zinc/04/71/18/1428047118.db2.gz QQMZPBNJNJCMKU-XLIONFOSSA-N 0 1 394.519 3.380 20 0 GGADMN c1ccc(C[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823781046 1428047730 /nfs/dbraw/zinc/04/77/30/1428047730.db2.gz ZSJZPTIWBYWBPJ-SFHVURJKSA-N 0 1 387.447 3.124 20 0 GGADMN CC[NH+](CC)Cc1cccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000176048169 1428049435 /nfs/dbraw/zinc/04/94/35/1428049435.db2.gz IDUQQEILIRCGFI-UHFFFAOYSA-N 0 1 384.524 3.148 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSC(C)(C)C3)c2C1 ZINC000176049929 1428049783 /nfs/dbraw/zinc/04/97/83/1428049783.db2.gz ARNGGFIOJBJQTK-HNNXBMFYSA-N 0 1 389.565 3.339 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)ccc1F ZINC000176052875 1428052547 /nfs/dbraw/zinc/05/25/47/1428052547.db2.gz WXLDRTKLWDZNSQ-UHFFFAOYSA-N 0 1 398.482 3.267 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(c2ccccc2)CCCC1 ZINC000176053224 1428052878 /nfs/dbraw/zinc/05/28/78/1428052878.db2.gz BMEFSIYMXGHWNE-UHFFFAOYSA-N 0 1 394.519 3.481 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)C(C)(C)c1ccccc1 ZINC000176055212 1428054237 /nfs/dbraw/zinc/05/42/37/1428054237.db2.gz WPRPDBQZDDZBPA-OAHLLOKOSA-N 0 1 382.508 3.335 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000176054731 1428054351 /nfs/dbraw/zinc/05/43/51/1428054351.db2.gz FIZCOSPMIWLOAL-HSZRJFAPSA-N 0 1 394.519 3.433 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000176055303 1428054424 /nfs/dbraw/zinc/05/44/24/1428054424.db2.gz ABRPNNUSVZIYKR-QGZVFWFLSA-N 0 1 386.883 3.310 20 0 GGADMN Cc1ccc(C(C)(C)CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176054931 1428054442 /nfs/dbraw/zinc/05/44/42/1428054442.db2.gz NWCXZLRAGPSAMV-UHFFFAOYSA-N 0 1 382.508 3.255 20 0 GGADMN C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(F)cc1F ZINC000176056001 1428055204 /nfs/dbraw/zinc/05/52/04/1428055204.db2.gz IGQMLYDHVNIUON-NSHDSACASA-N 0 1 376.407 3.008 20 0 GGADMN CC(C)COc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176057930 1428057688 /nfs/dbraw/zinc/05/76/88/1428057688.db2.gz WWOHXKCJESCGCJ-UHFFFAOYSA-N 0 1 398.507 3.204 20 0 GGADMN Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176059324 1428058392 /nfs/dbraw/zinc/05/83/92/1428058392.db2.gz XXFRESYMQXMBDL-INIZCTEOSA-N 0 1 382.508 3.217 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCc1cccc(Cl)c1 ZINC000176060449 1428059448 /nfs/dbraw/zinc/05/94/48/1428059448.db2.gz RBQKXPPGVGUVAA-UHFFFAOYSA-N 0 1 388.899 3.255 20 0 GGADMN CC[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(F)cc1F ZINC000176064111 1428062476 /nfs/dbraw/zinc/06/24/76/1428062476.db2.gz FXFCCEGEXJCJEM-QGZVFWFLSA-N 0 1 390.434 3.398 20 0 GGADMN C[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCN(C)CC1 ZINC000176072727 1428068252 /nfs/dbraw/zinc/06/82/52/1428068252.db2.gz AWSQLOYRZMIEPE-CQSZACIVSA-N 0 1 386.927 3.131 20 0 GGADMN O=C(CC[N@H+]1CCC2(CCCC2)C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822964243 1428068870 /nfs/dbraw/zinc/06/88/70/1428068870.db2.gz GRMSUXNIXRHIKN-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN O=C(CC[N@@H+]1CCC2(CCCC2)C1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822964243 1428068878 /nfs/dbraw/zinc/06/88/78/1428068878.db2.gz GRMSUXNIXRHIKN-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN O=C(CC[N@H+]1CCC2(CCCC2)C1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822964243 1428068884 /nfs/dbraw/zinc/06/88/84/1428068884.db2.gz GRMSUXNIXRHIKN-UHFFFAOYSA-N 0 1 386.525 3.012 20 0 GGADMN O=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176097463 1428081519 /nfs/dbraw/zinc/08/15/19/1428081519.db2.gz RPSKQAIXPTXKLK-QGZVFWFLSA-N 0 1 391.943 3.125 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCCCC[C@@H]1c1ccncc1 ZINC000176107785 1428087265 /nfs/dbraw/zinc/08/72/65/1428087265.db2.gz XJFICBVGUXOISB-GOSISDBHSA-N 0 1 394.500 3.224 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176110777 1428089015 /nfs/dbraw/zinc/08/90/15/1428089015.db2.gz MHPQWVYNSOKWSE-UHFFFAOYSA-N 0 1 388.471 3.035 20 0 GGADMN O=C(Nc1ccc(OCc2nnn[n-]2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001136819625 1428089136 /nfs/dbraw/zinc/08/91/36/1428089136.db2.gz WMFAJTFDYGIOGV-UHFFFAOYSA-N 0 1 392.463 3.017 20 0 GGADMN Cc1cc[nH+]c(N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311027 1428090355 /nfs/dbraw/zinc/09/03/55/1428090355.db2.gz QMNMEKCNLTZOQM-ZWKOTPCHSA-N 0 1 378.480 3.443 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176114589 1428091607 /nfs/dbraw/zinc/09/16/07/1428091607.db2.gz GFQHVBHKEVNMAD-UHFFFAOYSA-N 0 1 380.423 3.214 20 0 GGADMN CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736525086 1428092784 /nfs/dbraw/zinc/09/27/84/1428092784.db2.gz ZGALVVIYCKBMOQ-KXBFYZLASA-N 0 1 378.480 3.127 20 0 GGADMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000176118219 1428093376 /nfs/dbraw/zinc/09/33/76/1428093376.db2.gz ACKGVYPYOBSMMK-UHFFFAOYSA-N 0 1 386.471 3.116 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176123667 1428097105 /nfs/dbraw/zinc/09/71/05/1428097105.db2.gz DXMSJZDZBFEZFS-CYBMUJFWSA-N 0 1 376.432 3.108 20 0 GGADMN CCc1nc(COc2ccc(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2)no1 ZINC000176123048 1428097461 /nfs/dbraw/zinc/09/74/61/1428097461.db2.gz XFJWUOGJXQDHHB-UHFFFAOYSA-N 0 1 395.394 3.156 20 0 GGADMN CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3nc4ccc(F)cc4[nH]3)C2=O)cc1 ZINC000176123374 1428097565 /nfs/dbraw/zinc/09/75/65/1428097565.db2.gz WUHTTWZFHUTKIP-KRWDZBQOSA-N 0 1 394.450 3.495 20 0 GGADMN Cc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c(C)n1Cc1ccccn1 ZINC000176124940 1428098139 /nfs/dbraw/zinc/09/81/39/1428098139.db2.gz HUNYCIZBCPIYOU-UHFFFAOYSA-N 0 1 377.423 3.494 20 0 GGADMN O=Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[nH]1 ZINC000176126900 1428099760 /nfs/dbraw/zinc/09/97/60/1428099760.db2.gz CGJUCMLVOWORBA-UHFFFAOYSA-N 0 1 382.464 3.284 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176127278 1428100739 /nfs/dbraw/zinc/10/07/39/1428100739.db2.gz HZTFIVFNXNLHDO-IBGZPJMESA-N 0 1 395.503 3.147 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1F ZINC000176129089 1428102097 /nfs/dbraw/zinc/10/20/97/1428102097.db2.gz FHVLILVPFDBFIS-LJQANCHMSA-N 0 1 383.467 3.196 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000176129293 1428102234 /nfs/dbraw/zinc/10/22/34/1428102234.db2.gz CVXCIZGAQAOEFO-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000176129213 1428102327 /nfs/dbraw/zinc/10/23/27/1428102327.db2.gz GINHJCPPLGJYNC-HXUWFJFHSA-N 0 1 395.503 3.147 20 0 GGADMN CN(C(=O)C(=O)Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176128633 1428102512 /nfs/dbraw/zinc/10/25/12/1428102512.db2.gz SWTCFSIPQBABAK-QGZVFWFLSA-N 0 1 385.895 3.402 20 0 GGADMN Cc1ccc(F)c(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000176128405 1428102554 /nfs/dbraw/zinc/10/25/54/1428102554.db2.gz HESZOSICKZIJMA-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176129730 1428103010 /nfs/dbraw/zinc/10/30/10/1428103010.db2.gz YBTYRGYOLPZORJ-KRWDZBQOSA-N 0 1 387.430 3.026 20 0 GGADMN Cc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176129858 1428103168 /nfs/dbraw/zinc/10/31/68/1428103168.db2.gz CJSHRSIDWOLJJB-IBGZPJMESA-N 0 1 383.467 3.196 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000736900915 1428109605 /nfs/dbraw/zinc/10/96/05/1428109605.db2.gz GXKPMNROPLWEHU-DENIHFKCSA-N 0 1 391.475 3.135 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000736900915 1428109609 /nfs/dbraw/zinc/10/96/09/1428109609.db2.gz GXKPMNROPLWEHU-DENIHFKCSA-N 0 1 391.475 3.135 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000736199166 1428110678 /nfs/dbraw/zinc/11/06/78/1428110678.db2.gz WBNUZOWPSMYZCA-CQSZACIVSA-N 0 1 389.463 3.320 20 0 GGADMN Cc1cnn([C@H]2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc43)C2)c1 ZINC000822195053 1428111948 /nfs/dbraw/zinc/11/19/48/1428111948.db2.gz FMNHIXJYPOKKOE-INIZCTEOSA-N 0 1 388.479 3.378 20 0 GGADMN COCCOc1cc(C)ccc1CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000176138460 1428111947 /nfs/dbraw/zinc/11/19/47/1428111947.db2.gz KPDJUILIAGVYIC-QGZVFWFLSA-N 0 1 391.537 3.184 20 0 GGADMN Fc1ccc(N2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1Cl ZINC001139091292 1428114641 /nfs/dbraw/zinc/11/46/41/1428114641.db2.gz JESAYJHBEVXCTE-UHFFFAOYSA-N 0 1 390.825 3.121 20 0 GGADMN C[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1c(F)cccc1Cl ZINC000176152858 1428123033 /nfs/dbraw/zinc/12/30/33/1428123033.db2.gz XSMPOTDWFZEHAF-CQSZACIVSA-N 0 1 383.895 3.294 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)NCCc1nc2ccc(F)cc2[nH]1)CC1CC1 ZINC000176153447 1428123094 /nfs/dbraw/zinc/12/30/94/1428123094.db2.gz HHMDXCRILVHNLR-UHFFFAOYSA-N 0 1 390.459 3.008 20 0 GGADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176155430 1428125195 /nfs/dbraw/zinc/12/51/95/1428125195.db2.gz QTTKSUCOFZFQOH-UHFFFAOYSA-N 0 1 396.466 3.289 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824334160 1428129629 /nfs/dbraw/zinc/12/96/29/1428129629.db2.gz PMMGOCASQFLUSU-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000824334160 1428129632 /nfs/dbraw/zinc/12/96/32/1428129632.db2.gz PMMGOCASQFLUSU-HNNXBMFYSA-N 0 1 394.479 3.113 20 0 GGADMN Cc1[nH]ccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000176169201 1428135440 /nfs/dbraw/zinc/13/54/40/1428135440.db2.gz NNYWPADXAQUEEP-UHFFFAOYSA-N 0 1 396.451 3.385 20 0 GGADMN Cc1[nH]ccc1C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000176169201 1428135448 /nfs/dbraw/zinc/13/54/48/1428135448.db2.gz NNYWPADXAQUEEP-UHFFFAOYSA-N 0 1 396.451 3.385 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(CSCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000826519721 1428141185 /nfs/dbraw/zinc/14/11/85/1428141185.db2.gz LDMHKCVBVVHQPN-OWCLPIDISA-N 0 1 393.607 3.069 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000736287480 1428149586 /nfs/dbraw/zinc/14/95/86/1428149586.db2.gz PMMBZKQUEYQNPE-GOEBONIOSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736287480 1428149588 /nfs/dbraw/zinc/14/95/88/1428149588.db2.gz PMMBZKQUEYQNPE-GOEBONIOSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000736287480 1428149591 /nfs/dbraw/zinc/14/95/91/1428149591.db2.gz PMMBZKQUEYQNPE-GOEBONIOSA-N 0 1 396.520 3.382 20 0 GGADMN CC(=O)c1ccc(-c2nn[n-]n2)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000824019675 1428157317 /nfs/dbraw/zinc/15/73/17/1428157317.db2.gz KGNGLGSWTIMVKJ-UHFFFAOYSA-N 0 1 376.464 3.146 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176197993 1428160201 /nfs/dbraw/zinc/16/02/01/1428160201.db2.gz XWCCPSOBUDITLY-RDJZCZTQSA-N 0 1 399.457 3.000 20 0 GGADMN C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)C[C@H](C)O1 ZINC000176209755 1428169173 /nfs/dbraw/zinc/16/91/73/1428169173.db2.gz NABNPUKTDYWFDA-GASCZTMLSA-N 0 1 380.916 3.397 20 0 GGADMN C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)C[C@H](C)O1 ZINC000176209755 1428169178 /nfs/dbraw/zinc/16/91/78/1428169178.db2.gz NABNPUKTDYWFDA-GASCZTMLSA-N 0 1 380.916 3.397 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCOc3ccc(C(N)=O)cc3)[nH]c2c1 ZINC000176211635 1428170811 /nfs/dbraw/zinc/17/08/11/1428170811.db2.gz TVWIKUBREKVGFP-IBGZPJMESA-N 0 1 392.459 3.103 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N3CCCN(c4ccccc4)CC3)C2=O)c1 ZINC000176214068 1428172372 /nfs/dbraw/zinc/17/23/72/1428172372.db2.gz AKLITPPUXQOGHF-QFIPXVFZSA-N 0 1 395.503 3.021 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCOC3(CCCCC3)C2)N2CCCC2)o1 ZINC000176232005 1428181341 /nfs/dbraw/zinc/18/13/41/1428181341.db2.gz RBPZTBLHNIGTCM-GOSISDBHSA-N 0 1 375.513 3.470 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@](C)(O)c2cc(C)oc2C)N2CCCC2)o1 ZINC000176231651 1428181494 /nfs/dbraw/zinc/18/14/94/1428181494.db2.gz SNTRWJSBXKBSTI-NQIIRXRSSA-N 0 1 389.496 3.142 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@@](C)(O)c2cc(C)oc2C)N2CCCC2)o1 ZINC000176231696 1428181555 /nfs/dbraw/zinc/18/15/55/1428181555.db2.gz SNTRWJSBXKBSTI-GHTZIAJQSA-N 0 1 389.496 3.142 20 0 GGADMN C[C@H]1CN(c2ccc(CNc3cc(Cl)ccc3-c3nnn[n-]3)c[nH+]2)C[C@H](C)O1 ZINC000736291404 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GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825459719 1429963785 /nfs/dbraw/zinc/96/37/85/1429963785.db2.gz MGCBZLKYICOPMN-HXUWFJFHSA-N 0 1 390.491 3.024 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@@H]2COC3(CCCCC3)O2)N2CCCC2)o1 ZINC000180667217 1429965310 /nfs/dbraw/zinc/96/53/10/1429965310.db2.gz HUOOGOBHMUSDEX-MSOLQXFVSA-N 0 1 391.512 3.100 20 0 GGADMN CCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000825322823 1429965893 /nfs/dbraw/zinc/96/58/93/1429965893.db2.gz JRJPFKWRWDLUQY-INIZCTEOSA-N 0 1 378.480 3.496 20 0 GGADMN CCC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000825322823 1429965895 /nfs/dbraw/zinc/96/58/95/1429965895.db2.gz JRJPFKWRWDLUQY-INIZCTEOSA-N 0 1 378.480 3.496 20 0 GGADMN CCC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000825322823 1429965898 /nfs/dbraw/zinc/96/58/98/1429965898.db2.gz JRJPFKWRWDLUQY-INIZCTEOSA-N 0 1 378.480 3.496 20 0 GGADMN COC(=O)CC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000180669806 1429966547 /nfs/dbraw/zinc/96/65/47/1429966547.db2.gz QYDMAQGHWYYFSW-DNVCBOLYSA-N 0 1 375.490 3.435 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2c(C)nn(C)c2C)CCN1Cc1ccccc1 ZINC000180673071 1429968227 /nfs/dbraw/zinc/96/82/27/1429968227.db2.gz BMLYOIKFBKFFFM-HXUWFJFHSA-N 0 1 383.540 3.233 20 0 GGADMN CCc1nsc(N2CCCN(Cc3cn(C)nc3-c3ccccc3)CC2)n1 ZINC000180672563 1429968379 /nfs/dbraw/zinc/96/83/79/1429968379.db2.gz UFLTXOKEOSXRHD-UHFFFAOYSA-N 0 1 382.537 3.213 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NCc2ccccc2Cn2cccn2)c1 ZINC000180680058 1429972686 /nfs/dbraw/zinc/97/26/86/1429972686.db2.gz KJYUVJRVFNKOGC-SFHVURJKSA-N 0 1 392.503 3.297 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1nnc[nH]1 ZINC000180682365 1429973350 /nfs/dbraw/zinc/97/33/50/1429973350.db2.gz LYGRUTTZOIOMMB-LOKFHWFJSA-N 0 1 383.477 3.136 20 0 GGADMN C[C@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1nnc[nH]1 ZINC000180682314 1429973823 /nfs/dbraw/zinc/97/38/23/1429973823.db2.gz LYGRUTTZOIOMMB-PWFNWSNSSA-N 0 1 383.477 3.136 20 0 GGADMN C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1nnc[nH]1 ZINC000180682332 1429973849 /nfs/dbraw/zinc/97/38/49/1429973849.db2.gz LYGRUTTZOIOMMB-ASHKIFAZSA-N 0 1 383.477 3.136 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000180684532 1429975850 /nfs/dbraw/zinc/97/58/50/1429975850.db2.gz BFFKSBONWYSCMR-FQEVSTJZSA-N 0 1 375.513 3.296 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC000180691912 1429979327 /nfs/dbraw/zinc/97/93/27/1429979327.db2.gz ZCYNHYTTYPBUKC-IFMALSPDSA-N 0 1 396.531 3.192 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)C2(C(N)=O)CCCC2)c2ccccc2)cc1 ZINC000180694217 1429981430 /nfs/dbraw/zinc/98/14/30/1429981430.db2.gz GGDRUWFLPBZTPF-FGZHOGPDSA-N 0 1 396.531 3.192 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000180696411 1429983388 /nfs/dbraw/zinc/98/33/88/1429983388.db2.gz LSUMPOUVQMGERO-SFHVURJKSA-N 0 1 375.904 3.389 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000180704931 1429988453 /nfs/dbraw/zinc/98/84/53/1429988453.db2.gz OZTCNCNKKRLVHD-SFHVURJKSA-N 0 1 397.519 3.416 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 ZINC000180704859 1429988664 /nfs/dbraw/zinc/98/86/64/1429988664.db2.gz LXDSMPZMVGCLBG-OAHLLOKOSA-N 0 1 381.476 3.267 20 0 GGADMN O=C([N-]CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)C(F)(F)F ZINC000180706915 1429989870 /nfs/dbraw/zinc/98/98/70/1429989870.db2.gz QWXDVXXQQBJTSL-UONOGXRCSA-N 0 1 378.460 3.485 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)C(F)(F)F ZINC000180706915 1429989879 /nfs/dbraw/zinc/98/98/79/1429989879.db2.gz QWXDVXXQQBJTSL-UONOGXRCSA-N 0 1 378.460 3.485 20 0 GGADMN O=C(NCCCCCCO)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000180722574 1430000835 /nfs/dbraw/zinc/00/08/35/1430000835.db2.gz WXGCCDXIFGSWKR-UHFFFAOYSA-N 0 1 381.948 3.404 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H]3CCN(c4ccccc4Cl)C3=O)c(C)n2n1 ZINC000180726273 1430001995 /nfs/dbraw/zinc/00/19/95/1430001995.db2.gz IIIPZFNVGHLEAF-SUMWQHHRSA-N 0 1 383.883 3.456 20 0 GGADMN O=S(=O)(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c(F)cc(F)cc1F ZINC000180729174 1430004475 /nfs/dbraw/zinc/00/44/75/1430004475.db2.gz WGFGXFIHSWGLBT-CABCVRRESA-N 0 1 393.333 3.191 20 0 GGADMN CCO[C@H]1C[C@H](N(C)Cc2c(C)nn(C)c2OCC(F)(F)F)C12CCC2 ZINC000180729729 1430004564 /nfs/dbraw/zinc/00/45/64/1430004564.db2.gz IOOAEZYISQFKKO-GJZGRUSLSA-N 0 1 375.435 3.449 20 0 GGADMN O=S(=O)(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1c(F)cc(F)cc1F ZINC000180729210 1430004655 /nfs/dbraw/zinc/00/46/55/1430004655.db2.gz WGFGXFIHSWGLBT-GJZGRUSLSA-N 0 1 393.333 3.191 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C(F)(F)F ZINC000180730375 1430005375 /nfs/dbraw/zinc/00/53/75/1430005375.db2.gz LLBIOMLPGMBOMA-GFCCVEGCSA-N 0 1 375.460 3.270 20 0 GGADMN O=C([N-]CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C(F)(F)F ZINC000180730375 1430005384 /nfs/dbraw/zinc/00/53/84/1430005384.db2.gz LLBIOMLPGMBOMA-GFCCVEGCSA-N 0 1 375.460 3.270 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736454026 1430006924 /nfs/dbraw/zinc/00/69/24/1430006924.db2.gz WRNBHTSVJWDTNP-UHFFFAOYSA-N 0 1 393.495 3.072 20 0 GGADMN CCCC[N@H+](C)CCNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736454026 1430006937 /nfs/dbraw/zinc/00/69/37/1430006937.db2.gz WRNBHTSVJWDTNP-UHFFFAOYSA-N 0 1 393.495 3.072 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736454026 1430006940 /nfs/dbraw/zinc/00/69/40/1430006940.db2.gz WRNBHTSVJWDTNP-UHFFFAOYSA-N 0 1 393.495 3.072 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)nc1 ZINC000180734442 1430007320 /nfs/dbraw/zinc/00/73/20/1430007320.db2.gz HSKPFGIDTVKFLX-AWEZNQCLSA-N 0 1 393.318 3.388 20 0 GGADMN Cc1ccc(S(=O)(=O)CCCONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000180742553 1430011862 /nfs/dbraw/zinc/01/18/62/1430011862.db2.gz SKATUXGXAKMXMT-UHFFFAOYSA-N 0 1 375.490 3.184 20 0 GGADMN Cc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nnn[n-]3)C2)cc1 ZINC000826286062 1430012320 /nfs/dbraw/zinc/01/23/20/1430012320.db2.gz REAKXVGDRGSSOC-HNNXBMFYSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)cc1 ZINC000826286062 1430012325 /nfs/dbraw/zinc/01/23/25/1430012325.db2.gz REAKXVGDRGSSOC-HNNXBMFYSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)cc1 ZINC000826286062 1430012328 /nfs/dbraw/zinc/01/23/28/1430012328.db2.gz REAKXVGDRGSSOC-HNNXBMFYSA-N 0 1 382.493 3.055 20 0 GGADMN O=C(c1c[nH]nc1-c1ccccc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180744393 1430013015 /nfs/dbraw/zinc/01/30/15/1430013015.db2.gz BFQTWNLJPJLWLR-UHFFFAOYSA-N 0 1 382.508 3.041 20 0 GGADMN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180744245 1430013107 /nfs/dbraw/zinc/01/31/07/1430013107.db2.gz IBJQIGFFZCNVPB-UHFFFAOYSA-N 0 1 399.457 3.373 20 0 GGADMN CCc1c(C(=O)N2CCC(CCCN3CCOCC3)CC2)[nH]c(C)c1C(C)=O ZINC000180745018 1430013718 /nfs/dbraw/zinc/01/37/18/1430013718.db2.gz LPIZOFPPWRTNQI-UHFFFAOYSA-N 0 1 389.540 3.053 20 0 GGADMN NC(=[NH+]OCc1ccc(-c2nnn[n-]2)cc1Br)C1CCCCC1 ZINC000826388059 1430016033 /nfs/dbraw/zinc/01/60/33/1430016033.db2.gz GWDSNJLEOHQGCQ-UHFFFAOYSA-N 0 1 379.262 3.208 20 0 GGADMN COc1cccc2c1CCN(C(=O)CSc1nc(-c3ccc(C)cc3)n[nH]1)C2 ZINC000180748484 1430016126 /nfs/dbraw/zinc/01/61/26/1430016126.db2.gz OZXGLSZGENTBFA-UHFFFAOYSA-N 0 1 394.500 3.466 20 0 GGADMN COc1ccc(C(F)(F)C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180749574 1430016778 /nfs/dbraw/zinc/01/67/78/1430016778.db2.gz WDAJEOUWWZZQEF-UHFFFAOYSA-N 0 1 396.478 3.138 20 0 GGADMN O=C(CC1CCC(C(F)(F)F)CC1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000180758435 1430022379 /nfs/dbraw/zinc/02/23/79/1430022379.db2.gz CLKZLNQANPXBFK-AWRGBYNESA-N 0 1 398.469 3.497 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1OCC(=O)N(C)C ZINC000180761872 1430024519 /nfs/dbraw/zinc/02/45/19/1430024519.db2.gz BMANKERETJWKJD-QFBILLFUSA-N 0 1 383.492 3.222 20 0 GGADMN O=C1[C@@H](N[C@H]2CCc3ccc(OC(F)(F)F)cc32)CCN1CC(F)(F)F ZINC000180763832 1430025774 /nfs/dbraw/zinc/02/57/74/1430025774.db2.gz QLDOGJNWFTUWBG-STQMWFEESA-N 0 1 382.304 3.325 20 0 GGADMN O=C1[C@H](N[C@H]2CCc3ccc(OC(F)(F)F)cc32)CCN1CC(F)(F)F ZINC000180763799 1430025865 /nfs/dbraw/zinc/02/58/65/1430025865.db2.gz QLDOGJNWFTUWBG-QWHCGFSZSA-N 0 1 382.304 3.325 20 0 GGADMN Cc1c([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)cnn1-c1ccc(F)cc1 ZINC000180763398 1430026056 /nfs/dbraw/zinc/02/60/56/1430026056.db2.gz ZYFBHZTVFPNGOC-BZNIZROVSA-N 0 1 384.377 3.134 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180765957 1430027161 /nfs/dbraw/zinc/02/71/61/1430027161.db2.gz YNJMWGUJTPUXQJ-CQSZACIVSA-N 0 1 390.369 3.164 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180765936 1430027275 /nfs/dbraw/zinc/02/72/75/1430027275.db2.gz YNJMWGUJTPUXQJ-AWEZNQCLSA-N 0 1 390.369 3.164 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOC2=O)cc1 ZINC000180770209 1430029744 /nfs/dbraw/zinc/02/97/44/1430029744.db2.gz UFPGKEGZEBPXSG-RDTXWAMCSA-N 0 1 383.423 3.238 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000180772891 1430031294 /nfs/dbraw/zinc/03/12/94/1430031294.db2.gz HGUGFGZEQFKVGR-RDTXWAMCSA-N 0 1 383.423 3.238 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cccc(N2CCOC2=O)c1 ZINC000180772931 1430031767 /nfs/dbraw/zinc/03/17/67/1430031767.db2.gz HGUGFGZEQFKVGR-KDOFPFPSSA-N 0 1 383.423 3.238 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180793947 1430043858 /nfs/dbraw/zinc/04/38/58/1430043858.db2.gz RQEULRHIEDBCOM-KRWDZBQOSA-N 0 1 396.413 3.453 20 0 GGADMN Cc1ccc(-c2ccc(C(=O)NCc3cccnc3N3CCN(C)CC3)s2)o1 ZINC000180803949 1430050730 /nfs/dbraw/zinc/05/07/30/1430050730.db2.gz BNXCCJFRJUOTAV-UHFFFAOYSA-N 0 1 396.516 3.393 20 0 GGADMN CC(C)(C)S(=O)(=O)CCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000180806127 1430051133 /nfs/dbraw/zinc/05/11/33/1430051133.db2.gz WEDLHUWVMPKCKQ-AWEZNQCLSA-N 0 1 390.343 3.466 20 0 GGADMN C[C@H](c1cccnc1)N(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000180806074 1430051291 /nfs/dbraw/zinc/05/12/91/1430051291.db2.gz KTVZMFKSPMNNAU-QGZVFWFLSA-N 0 1 384.549 3.262 20 0 GGADMN COCCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000180809137 1430052942 /nfs/dbraw/zinc/05/29/42/1430052942.db2.gz DZUXCSREOKGJFZ-QGZVFWFLSA-N 0 1 394.475 3.311 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)c(OC)c1 ZINC000180815124 1430055007 /nfs/dbraw/zinc/05/50/07/1430055007.db2.gz NYULVKMKDHQXPY-OAHLLOKOSA-N 0 1 380.448 3.179 20 0 GGADMN Cc1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000180815767 1430055034 /nfs/dbraw/zinc/05/50/34/1430055034.db2.gz ZXKZZMHLARPXBY-JTQLQIEISA-N 0 1 379.346 3.200 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000180819054 1430056365 /nfs/dbraw/zinc/05/63/65/1430056365.db2.gz ZQNTXNHOGGKNCN-UHFFFAOYSA-N 0 1 396.491 3.206 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000180821090 1430056980 /nfs/dbraw/zinc/05/69/80/1430056980.db2.gz LKRGZCKVVLFQCU-ZOBUZTSGSA-N 0 1 387.517 3.247 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000180821124 1430057263 /nfs/dbraw/zinc/05/72/63/1430057263.db2.gz LKRGZCKVVLFQCU-UXLLHSPISA-N 0 1 387.517 3.247 20 0 GGADMN C[NH+](C)CCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736759154 1430062510 /nfs/dbraw/zinc/06/25/10/1430062510.db2.gz OIFLCGQKZJKENF-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000180835154 1430063215 /nfs/dbraw/zinc/06/32/15/1430063215.db2.gz VSQWEQYDSGEIJQ-CQSZACIVSA-N 0 1 384.509 3.212 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180836205 1430063821 /nfs/dbraw/zinc/06/38/21/1430063821.db2.gz PKSVBKVKVCEBEI-ZDUSSCGKSA-N 0 1 384.461 3.010 20 0 GGADMN CCC1(CC)[C@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C[C@@H]1OC ZINC000825170801 1430064044 /nfs/dbraw/zinc/06/40/44/1430064044.db2.gz HVHWDJMYPYOAIU-UXHICEINSA-N 0 1 398.555 3.014 20 0 GGADMN CCCn1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cn1 ZINC000180852280 1430070936 /nfs/dbraw/zinc/07/09/36/1430070936.db2.gz YFSLSIPBZRYYHJ-UHFFFAOYSA-N 0 1 383.496 3.360 20 0 GGADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000738437571 1430071410 /nfs/dbraw/zinc/07/14/10/1430071410.db2.gz QFKAJMXVZWTZOB-UHFFFAOYSA-N 0 1 386.463 3.018 20 0 GGADMN COC(=O)c1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)o1 ZINC000180857696 1430073153 /nfs/dbraw/zinc/07/31/53/1430073153.db2.gz ZTAJIHXRMNLEGY-UHFFFAOYSA-N 0 1 385.464 3.493 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000180858542 1430073172 /nfs/dbraw/zinc/07/31/72/1430073172.db2.gz FCMVSDJWIKIJFQ-UHFFFAOYSA-N 0 1 391.418 3.284 20 0 GGADMN CC(C)(NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)c(F)c1 ZINC000180871916 1430080174 /nfs/dbraw/zinc/08/01/74/1430080174.db2.gz NSNXWQCBVAZQED-UHFFFAOYSA-N 0 1 387.430 3.320 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(=O)CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000180877603 1430083386 /nfs/dbraw/zinc/08/33/86/1430083386.db2.gz GECBIGVQKQRQSD-UHFFFAOYSA-N 0 1 389.446 3.195 20 0 GGADMN CCCc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000180884326 1430088235 /nfs/dbraw/zinc/08/82/35/1430088235.db2.gz TWMIWECTVLXUFO-KRWDZBQOSA-N 0 1 390.549 3.103 20 0 GGADMN CC(C)c1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000180886642 1430090115 /nfs/dbraw/zinc/09/01/15/1430090115.db2.gz UJJAUZXSUMUULO-QGZVFWFLSA-N 0 1 390.549 3.274 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000180896876 1430095914 /nfs/dbraw/zinc/09/59/14/1430095914.db2.gz KBVYCMRVIIXXNZ-CVEARBPZSA-N 0 1 394.397 3.091 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000736235135 1430096902 /nfs/dbraw/zinc/09/69/02/1430096902.db2.gz MLOIVSJZFUAVHQ-RVKKMQEKSA-N 0 1 376.464 3.072 20 0 GGADMN CCc1ccc(C2=CCN([C@H](C)C(=O)N3CCC(C(=O)OC)CC3)CC2)cc1 ZINC000180911209 1430106029 /nfs/dbraw/zinc/10/60/29/1430106029.db2.gz FKAUJIVCYOIWPT-QGZVFWFLSA-N 0 1 384.520 3.138 20 0 GGADMN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180910494 1430106118 /nfs/dbraw/zinc/10/61/18/1430106118.db2.gz LMTWILHVVGGFNN-JXFKEZNVSA-N 0 1 383.492 3.103 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(OC)cc3OC)C2=O)cc1 ZINC000180915141 1430111271 /nfs/dbraw/zinc/11/12/71/1430111271.db2.gz KPMHFBDJMPJLKI-YWZLYKJASA-N 0 1 384.476 3.164 20 0 GGADMN O=S(=O)(CCNCc1ccc(SC(F)F)cc1)NCc1ccccc1 ZINC000180917819 1430113252 /nfs/dbraw/zinc/11/32/52/1430113252.db2.gz YONXUPMCFXAEIK-UHFFFAOYSA-N 0 1 386.489 3.211 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)Nc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000180918534 1430114533 /nfs/dbraw/zinc/11/45/33/1430114533.db2.gz GOFHIXUJVVPNRE-UHFFFAOYSA-N 0 1 398.555 3.280 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(OC)ccc3OC)C2=O)cc1 ZINC000180919852 1430115609 /nfs/dbraw/zinc/11/56/09/1430115609.db2.gz IAUPCBFCPDZXDQ-FOIQADDNSA-N 0 1 384.476 3.164 20 0 GGADMN CCc1nc2c(s1)[C@H](N[C@H]1CCN(Cc3ccc(OC)cc3)C1=O)CCC2 ZINC000180924020 1430117111 /nfs/dbraw/zinc/11/71/11/1430117111.db2.gz NVGZMZYKIISYDI-AEFFLSMTSA-N 0 1 385.533 3.482 20 0 GGADMN CCc1nc2c(s1)[C@H](N[C@@H]1CCN(Cc3ccc(OC)cc3)C1=O)CCC2 ZINC000180923978 1430117239 /nfs/dbraw/zinc/11/72/39/1430117239.db2.gz NVGZMZYKIISYDI-SJLPKXTDSA-N 0 1 385.533 3.482 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2CC)n[nH]1 ZINC000180924140 1430117339 /nfs/dbraw/zinc/11/73/39/1430117339.db2.gz WRDFVLVMJKXEGW-UHFFFAOYSA-N 0 1 387.827 3.240 20 0 GGADMN c1ccc(CCOCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826521452 1430117520 /nfs/dbraw/zinc/11/75/20/1430117520.db2.gz MPEHOKSONJWNON-OAQYLSRUSA-N 0 1 377.492 3.483 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)n[nH]1 ZINC000180924783 1430118601 /nfs/dbraw/zinc/11/86/01/1430118601.db2.gz CZBLPOGURIIWCT-UHFFFAOYSA-N 0 1 388.811 3.466 20 0 GGADMN C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824568780 1430125250 /nfs/dbraw/zinc/12/52/50/1430125250.db2.gz CPOWDPIBACMGSJ-AWEZNQCLSA-N 0 1 379.464 3.266 20 0 GGADMN COCCOc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826162859 1430125546 /nfs/dbraw/zinc/12/55/46/1430125546.db2.gz VMCIOKVCRVKNQQ-FQEVSTJZSA-N 0 1 379.464 3.059 20 0 GGADMN COCc1nc2n(n1)C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000180939893 1430126248 /nfs/dbraw/zinc/12/62/48/1430126248.db2.gz SXYFERCMGUVNRQ-SFHVURJKSA-N 0 1 384.430 3.397 20 0 GGADMN COc1cc(OC)cc(OCCN[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180947088 1430129283 /nfs/dbraw/zinc/12/92/83/1430129283.db2.gz KVZRPOJDKGCQPC-NRFANRHFSA-N 0 1 385.439 3.334 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824158600 1430134671 /nfs/dbraw/zinc/13/46/71/1430134671.db2.gz ZWNJUQBMVITVIU-MRXNPFEDSA-N 0 1 386.500 3.137 20 0 GGADMN Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853666 1430136571 /nfs/dbraw/zinc/13/65/71/1430136571.db2.gz YIEOUVUKECOECG-REPLKXPHSA-N 0 1 392.511 3.258 20 0 GGADMN Cc1nc(-c2ccccc2F)sc1[C@@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000180959723 1430136602 /nfs/dbraw/zinc/13/66/02/1430136602.db2.gz RNFDNZRSOZYXPX-PXAZEXFGSA-N 0 1 399.495 3.447 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000180963401 1430138509 /nfs/dbraw/zinc/13/85/09/1430138509.db2.gz MWCMAQMTHQFTQO-CQSZACIVSA-N 0 1 378.366 3.302 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000180963384 1430138582 /nfs/dbraw/zinc/13/85/82/1430138582.db2.gz MWCMAQMTHQFTQO-AWEZNQCLSA-N 0 1 378.366 3.302 20 0 GGADMN Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000180962328 1430138660 /nfs/dbraw/zinc/13/86/60/1430138660.db2.gz NSKJXQUVKWBDCW-KBXCAEBGSA-N 0 1 395.532 3.232 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1SC(F)F ZINC000180963662 1430139284 /nfs/dbraw/zinc/13/92/84/1430139284.db2.gz VVJOKPTYDXRMOY-RISCZKNCSA-N 0 1 396.463 3.200 20 0 GGADMN COc1cc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1SC(F)F ZINC000180963589 1430139505 /nfs/dbraw/zinc/13/95/05/1430139505.db2.gz VVJOKPTYDXRMOY-SMDDNHRTSA-N 0 1 396.463 3.200 20 0 GGADMN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000180964548 1430140369 /nfs/dbraw/zinc/14/03/69/1430140369.db2.gz MYJYIXUOHIJQTB-LRDDRELGSA-N 0 1 380.464 3.233 20 0 GGADMN Cc1ccccc1NC(=O)CCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180973076 1430144980 /nfs/dbraw/zinc/14/49/80/1430144980.db2.gz GOSOTFICQZPHLN-UHFFFAOYSA-N 0 1 377.492 3.018 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000180975875 1430147063 /nfs/dbraw/zinc/14/70/63/1430147063.db2.gz HWBBCCRERKQXFT-GUYCJALGSA-N 0 1 396.457 3.412 20 0 GGADMN CCCn1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cn1 ZINC000180982821 1430151074 /nfs/dbraw/zinc/15/10/74/1430151074.db2.gz HUVNPZJRRNWNTN-UHFFFAOYSA-N 0 1 383.496 3.360 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH+]1 ZINC000826274515 1430153779 /nfs/dbraw/zinc/15/37/79/1430153779.db2.gz UCSVAAYGZZQQAI-JTQLQIEISA-N 0 1 395.414 3.429 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+]CCN3CCCCC3)c2)c1 ZINC000738411073 1430154301 /nfs/dbraw/zinc/15/43/01/1430154301.db2.gz QJKVHGCSQWIMEQ-UHFFFAOYSA-N 0 1 392.507 3.021 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@@H](C)CCO)c(C)c1 ZINC000180990352 1430155178 /nfs/dbraw/zinc/15/51/78/1430155178.db2.gz WFMSPBKFDWUFSF-SFHVURJKSA-N 0 1 383.492 3.225 20 0 GGADMN O=S(=O)(C[C@H](O)CNC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000180999754 1430160385 /nfs/dbraw/zinc/16/03/85/1430160385.db2.gz MCDOPONBQUZMMY-GOSISDBHSA-N 0 1 387.526 3.262 20 0 GGADMN CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000181000966 1430160998 /nfs/dbraw/zinc/16/09/98/1430160998.db2.gz KUJICRYXSADOJI-KRWDZBQOSA-N 0 1 380.414 3.316 20 0 GGADMN CCCn1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000181000966 1430161000 /nfs/dbraw/zinc/16/10/00/1430161000.db2.gz KUJICRYXSADOJI-KRWDZBQOSA-N 0 1 380.414 3.316 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1)c1ccccc1 ZINC000181018520 1430168977 /nfs/dbraw/zinc/16/89/77/1430168977.db2.gz QAJRAQIIHOWKQO-VXKWHMMOSA-N 0 1 397.494 3.250 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000825981080 1430171925 /nfs/dbraw/zinc/17/19/25/1430171925.db2.gz OHZZJHLIAHHEBG-LJQANCHMSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000825981080 1430171928 /nfs/dbraw/zinc/17/19/28/1430171928.db2.gz OHZZJHLIAHHEBG-LJQANCHMSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000825981080 1430171930 /nfs/dbraw/zinc/17/19/30/1430171930.db2.gz OHZZJHLIAHHEBG-LJQANCHMSA-N 0 1 385.475 3.126 20 0 GGADMN Cc1ccc(NC(=O)COc2ccc(CCNCc3csnn3)cc2)cc1 ZINC000181033198 1430177387 /nfs/dbraw/zinc/17/73/87/1430177387.db2.gz DRKHUIZZAJKDCS-UHFFFAOYSA-N 0 1 382.489 3.196 20 0 GGADMN COC[C@@H](O)CCN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000181038852 1430180554 /nfs/dbraw/zinc/18/05/54/1430180554.db2.gz GPZSMSCBJHTAGN-YWZLYKJASA-N 0 1 377.868 3.188 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)c(O)c3)CC2)c1C ZINC000181039606 1430181317 /nfs/dbraw/zinc/18/13/17/1430181317.db2.gz QEVSPSJYFBLTRQ-UHFFFAOYSA-N 0 1 397.519 3.458 20 0 GGADMN c1cn(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823742619 1430188505 /nfs/dbraw/zinc/18/85/05/1430188505.db2.gz JDCGVJKJJQDJLA-ROUUACIJSA-N 0 1 381.509 3.048 20 0 GGADMN FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826368379 1430189478 /nfs/dbraw/zinc/18/94/78/1430189478.db2.gz NCZTZUDSIXNKBO-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826368379 1430189481 /nfs/dbraw/zinc/18/94/81/1430189481.db2.gz NCZTZUDSIXNKBO-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000181065042 1430194989 /nfs/dbraw/zinc/19/49/89/1430194989.db2.gz VFRSMCWWEGRSNB-UHFFFAOYSA-N 0 1 380.466 3.112 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N(C)CCCn1ccnc1 ZINC000181072440 1430198120 /nfs/dbraw/zinc/19/81/20/1430198120.db2.gz ZUSDVHZFTPWDHV-AWEZNQCLSA-N 0 1 387.484 3.495 20 0 GGADMN Cc1ccoc1C(=O)NCCCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000181074078 1430198816 /nfs/dbraw/zinc/19/88/16/1430198816.db2.gz LEJYQACVMGPPMO-AWEZNQCLSA-N 0 1 385.443 3.087 20 0 GGADMN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccc4nncn4c3)cc2s1 ZINC000181077057 1430200216 /nfs/dbraw/zinc/20/02/16/1430200216.db2.gz JDUZACXXIPYQBB-UHFFFAOYSA-N 0 1 387.490 3.437 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000826182520 1430205417 /nfs/dbraw/zinc/20/54/17/1430205417.db2.gz MLHIHXMDNRYIAH-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000826182520 1430205420 /nfs/dbraw/zinc/20/54/20/1430205420.db2.gz MLHIHXMDNRYIAH-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)c(C)n2n1 ZINC000181090657 1430206232 /nfs/dbraw/zinc/20/62/32/1430206232.db2.gz DMFYPHUTZZIQRJ-FZKQIMNGSA-N 0 1 383.883 3.456 20 0 GGADMN O=C(NCCNC(=O)c1ccc(F)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181091981 1430206940 /nfs/dbraw/zinc/20/69/40/1430206940.db2.gz UPRXWBMLVMVKOE-UHFFFAOYSA-N 0 1 391.353 3.191 20 0 GGADMN CC(C)(C)OC(=O)N1CC(NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000181098281 1430209307 /nfs/dbraw/zinc/20/93/07/1430209307.db2.gz SIZKRNZSAUMAAQ-UHFFFAOYSA-N 0 1 381.383 3.241 20 0 GGADMN O=C(NCCCOCC1CCOCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181102505 1430210905 /nfs/dbraw/zinc/21/09/05/1430210905.db2.gz BDJZNQKQHJQVGD-UHFFFAOYSA-N 0 1 382.411 3.455 20 0 GGADMN CCc1ccc(C2=CCN(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)CC2)cc1 ZINC000181105216 1430211917 /nfs/dbraw/zinc/21/19/17/1430211917.db2.gz REGVTIWKQJFRFQ-QHCPKHFHSA-N 0 1 398.595 3.320 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@@H]1c1cccn1C ZINC000181108252 1430212993 /nfs/dbraw/zinc/21/29/93/1430212993.db2.gz ZEJQJJVVAJSDMI-LJQANCHMSA-N 0 1 385.508 3.228 20 0 GGADMN CC(C)N1C(=S)N=NC1CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181107430 1430213210 /nfs/dbraw/zinc/21/32/10/1430213210.db2.gz MNUOFXHJHIDHDN-UHFFFAOYSA-N 0 1 381.412 3.283 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCCC[C@H]1C ZINC000181110801 1430214400 /nfs/dbraw/zinc/21/44/00/1430214400.db2.gz YETCKMSCAUUWPE-GHMZBOCLSA-N 0 1 379.411 3.412 20 0 GGADMN CCc1n[nH]c(=O)c(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1CC ZINC000181126527 1430218559 /nfs/dbraw/zinc/21/85/59/1430218559.db2.gz YKANDVPCBBBYPF-UHFFFAOYSA-N 0 1 390.394 3.030 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(C(F)(F)F)c1 ZINC000821817932 1430220066 /nfs/dbraw/zinc/22/00/66/1430220066.db2.gz CPGPYXRRTSHLMZ-UHFFFAOYSA-N 0 1 381.333 3.323 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc(C)c2Cl)n(-c2cc(C)nc(C)n2)n1 ZINC000181135672 1430222093 /nfs/dbraw/zinc/22/20/93/1430222093.db2.gz AOSSDIVOPJYFOJ-UHFFFAOYSA-N 0 1 391.884 3.350 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CCC(NC(N)=O)CC2)on1 ZINC000181140543 1430224261 /nfs/dbraw/zinc/22/42/61/1430224261.db2.gz NHRNBUCLXVWSEF-UHFFFAOYSA-N 0 1 380.448 3.136 20 0 GGADMN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3cccc(N4CCOC4=O)c3)C2=O)cc1 ZINC000181145220 1430225716 /nfs/dbraw/zinc/22/57/16/1430225716.db2.gz WIFGHBJAMHABFZ-OXJNMPFZSA-N 0 1 379.460 3.408 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(Cc4csc(CC(=O)N(C)C)n4)C3)[nH]c2c1 ZINC000181152210 1430228816 /nfs/dbraw/zinc/22/88/16/1430228816.db2.gz FZCPRAAXYLRFOZ-HNNXBMFYSA-N 0 1 397.548 3.338 20 0 GGADMN Cc1ccc2[nH]c([C@H]3CCCN(Cc4nn5c(nc(C)cc5=O)s4)C3)nc2c1 ZINC000181155053 1430229926 /nfs/dbraw/zinc/22/99/26/1430229926.db2.gz JYYKYKIIRURZQA-AWEZNQCLSA-N 0 1 394.504 3.024 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(Cc4nn5c(nc(C)cc5=O)s4)C3)[nH]c2c1 ZINC000181155053 1430229933 /nfs/dbraw/zinc/22/99/33/1430229933.db2.gz JYYKYKIIRURZQA-AWEZNQCLSA-N 0 1 394.504 3.024 20 0 GGADMN O=[N+]([O-])c1cccc([C@H](O)CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000181156671 1430231208 /nfs/dbraw/zinc/23/12/08/1430231208.db2.gz RTOPQAKVOSJKQZ-CQSZACIVSA-N 0 1 378.360 3.484 20 0 GGADMN O=C(Nc1ccccc1CN1CCSCC1)C(=O)N[C@@H]1CC12CCCCC2 ZINC000181166151 1430234243 /nfs/dbraw/zinc/23/42/43/1430234243.db2.gz VVQXMFXALVYKSB-GOSISDBHSA-N 0 1 387.549 3.013 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000181166838 1430234739 /nfs/dbraw/zinc/23/47/39/1430234739.db2.gz ZJNQSUFXPGXZMO-FXAWDEMLSA-N 0 1 396.539 3.494 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000181167857 1430234951 /nfs/dbraw/zinc/23/49/51/1430234951.db2.gz UEMGJZYNZUFQCI-UHFFFAOYSA-N 0 1 375.322 3.284 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC[C@H]3c3nnc[nH]3)C2)c1 ZINC000181174289 1430237660 /nfs/dbraw/zinc/23/76/60/1430237660.db2.gz VIWXQVGEGQRYQS-MJGOQNOKSA-N 0 1 395.507 3.028 20 0 GGADMN Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000181174795 1430237669 /nfs/dbraw/zinc/23/76/69/1430237669.db2.gz XDOPHIYSCYUAEU-DZGCQCFKSA-N 0 1 378.423 3.176 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cnc1Br ZINC000181177140 1430238510 /nfs/dbraw/zinc/23/85/10/1430238510.db2.gz GFAJFIBUODQPFI-UHFFFAOYSA-N 0 1 390.190 3.001 20 0 GGADMN Cn1ccc(N2CCC[C@H](N[C@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n1 ZINC000181176289 1430238598 /nfs/dbraw/zinc/23/85/98/1430238598.db2.gz AFPWZNWBJPJKCU-HOTGVXAUSA-N 0 1 394.397 3.091 20 0 GGADMN COc1ccc2oc([C@@H](C)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)c(C)c2c1 ZINC000181177399 1430239191 /nfs/dbraw/zinc/23/91/91/1430239191.db2.gz UCEBNADBKDTPMW-RHSMWYFYSA-N 0 1 382.464 3.330 20 0 GGADMN CCOc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000181178221 1430239331 /nfs/dbraw/zinc/23/93/31/1430239331.db2.gz BDRLPDYNIJBOSJ-CZUORRHYSA-N 0 1 376.888 3.318 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000824293650 1430239863 /nfs/dbraw/zinc/23/98/63/1430239863.db2.gz VMQRSFZMKRDBQZ-UHFFFAOYSA-N 0 1 377.496 3.273 20 0 GGADMN C[NH+]1CCC([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3C(F)(F)F)C2)CC1 ZINC000826023009 1430239897 /nfs/dbraw/zinc/23/98/97/1430239897.db2.gz VKCNJNIDROOCRE-CQSZACIVSA-N 0 1 380.418 3.054 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H](O)c1ccc(F)cc1 ZINC000181186783 1430241924 /nfs/dbraw/zinc/24/19/24/1430241924.db2.gz RKBLFJYUPXPRQF-LJQANCHMSA-N 0 1 383.423 3.011 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](Cn3ccnn3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181188220 1430242207 /nfs/dbraw/zinc/24/22/07/1430242207.db2.gz BNOLKIGKGCWPLZ-GUYCJALGSA-N 0 1 394.306 3.102 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)n(C)n1 ZINC000181187771 1430242316 /nfs/dbraw/zinc/24/23/16/1430242316.db2.gz OTZWCZXEUJKCSL-JKSUJKDBSA-N 0 1 394.397 3.010 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)F)ccc1N1CCOCC1 ZINC000181188529 1430242507 /nfs/dbraw/zinc/24/25/07/1430242507.db2.gz XCOBRTTUALYTAJ-UHFFFAOYSA-N 0 1 398.431 3.234 20 0 GGADMN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181189876 1430242951 /nfs/dbraw/zinc/24/29/51/1430242951.db2.gz JKKZAAUSQNQHIT-TZMCWYRMSA-N 0 1 391.884 3.015 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H](CN3CCOCC3)c3ccccc3)c(C)n2n1 ZINC000181191166 1430243382 /nfs/dbraw/zinc/24/33/82/1430243382.db2.gz LGNSDMNGPFCVRE-UTKZUKDTSA-N 0 1 379.508 3.070 20 0 GGADMN Cc1cc2ncc([C@H](C)N[C@@H](CN3CCOCC3)c3ccccc3)c(C)n2n1 ZINC000181191187 1430243511 /nfs/dbraw/zinc/24/35/11/1430243511.db2.gz LGNSDMNGPFCVRE-UWJYYQICSA-N 0 1 379.508 3.070 20 0 GGADMN CCOC(=O)C[C@H](OC(=O)CCc1nc[nH]n1)c1cc(Cl)cc(Cl)c1 ZINC000181193508 1430244298 /nfs/dbraw/zinc/24/42/98/1430244298.db2.gz BDIGXQWXIBXRRT-ZDUSSCGKSA-N 0 1 386.235 3.282 20 0 GGADMN COC[C@H](N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)C1CC1 ZINC000181192920 1430244480 /nfs/dbraw/zinc/24/44/80/1430244480.db2.gz LCAZLHBONFUCCB-VQTJNVASSA-N 0 1 395.471 3.472 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2ccccc2F)c1-c1nnn[n-]1 ZINC000826331969 1430245061 /nfs/dbraw/zinc/24/50/61/1430245061.db2.gz FTQVGDKKAWLUMF-UHFFFAOYSA-N 0 1 391.454 3.174 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2ccccc2F)c1-c1nn[n-]n1 ZINC000826331969 1430245064 /nfs/dbraw/zinc/24/50/64/1430245064.db2.gz FTQVGDKKAWLUMF-UHFFFAOYSA-N 0 1 391.454 3.174 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2ccccc2F)c1-c1nn[n-]n1 ZINC000826331969 1430245067 /nfs/dbraw/zinc/24/50/67/1430245067.db2.gz FTQVGDKKAWLUMF-UHFFFAOYSA-N 0 1 391.454 3.174 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCCC[C@@H]3c3nnc[nH]3)C2)c1 ZINC000181195462 1430245476 /nfs/dbraw/zinc/24/54/76/1430245476.db2.gz JZLYCTZJVYRHFH-FUHWJXTLSA-N 0 1 396.495 3.111 20 0 GGADMN COC(=O)CC(C)(C)CC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000181198366 1430245833 /nfs/dbraw/zinc/24/58/33/1430245833.db2.gz BLRZHPFHUOLSJA-SFHVURJKSA-N 0 1 390.524 3.318 20 0 GGADMN C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181206950 1430247710 /nfs/dbraw/zinc/24/77/10/1430247710.db2.gz BFFQPOYWXYNJKK-DOTOQJQBSA-N 0 1 392.565 3.453 20 0 GGADMN CCc1nc(C)c([C@@H](C)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)s1 ZINC000181208714 1430248113 /nfs/dbraw/zinc/24/81/13/1430248113.db2.gz MKZOMUKNMREFQY-SJKOYZFVSA-N 0 1 389.521 3.487 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H]3CCCc4nc(C)sc43)C2=O)c1 ZINC000181209353 1430248321 /nfs/dbraw/zinc/24/83/21/1430248321.db2.gz RYGPJKUBNDLHIU-QZTJIDSGSA-N 0 1 387.505 3.241 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CCCc4nc(C)sc43)C2=O)c1 ZINC000181209387 1430248533 /nfs/dbraw/zinc/24/85/33/1430248533.db2.gz RYGPJKUBNDLHIU-MSOLQXFVSA-N 0 1 387.505 3.241 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)(F)F)n2)cc1 ZINC000181224412 1430251597 /nfs/dbraw/zinc/25/15/97/1430251597.db2.gz TXPHGALAVVHCOV-UHFFFAOYSA-N 0 1 392.337 3.309 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3ccccc3OC(F)(F)F)n[nH]2)cc1 ZINC000181224412 1430251598 /nfs/dbraw/zinc/25/15/98/1430251598.db2.gz TXPHGALAVVHCOV-UHFFFAOYSA-N 0 1 392.337 3.309 20 0 GGADMN Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000181224723 1430251601 /nfs/dbraw/zinc/25/16/01/1430251601.db2.gz XWPNUIVSVCMDLU-UHFFFAOYSA-N 0 1 375.436 3.173 20 0 GGADMN C[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccc(N2CCOC2=O)cc1 ZINC000181267066 1430259054 /nfs/dbraw/zinc/25/90/54/1430259054.db2.gz PGSGWNZCQRMQKX-KRWDZBQOSA-N 0 1 393.487 3.489 20 0 GGADMN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181269699 1430259844 /nfs/dbraw/zinc/25/98/44/1430259844.db2.gz DWCILUNXYWUOJJ-CQSZACIVSA-N 0 1 387.867 3.264 20 0 GGADMN C[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181281107 1430261904 /nfs/dbraw/zinc/26/19/04/1430261904.db2.gz RLUDDXWZOWRBEN-HOTGVXAUSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1ccc(N2CCOC2=O)cc1 ZINC000181280261 1430262010 /nfs/dbraw/zinc/26/20/10/1430262010.db2.gz ZAEIJTNFINACII-CYBMUJFWSA-N 0 1 380.400 3.306 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181282311 1430262311 /nfs/dbraw/zinc/26/23/11/1430262311.db2.gz JZRFLAXYLIGQSM-HUUCEWRRSA-N 0 1 385.468 3.098 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000181286685 1430263015 /nfs/dbraw/zinc/26/30/15/1430263015.db2.gz HJWSJGNZEFMGGC-QFBILLFUSA-N 0 1 393.487 3.278 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000181286723 1430263022 /nfs/dbraw/zinc/26/30/22/1430263022.db2.gz HJWSJGNZEFMGGC-LPHOPBHVSA-N 0 1 393.487 3.278 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cnn(Cc3ccccc3)c2)C1=O ZINC000181286383 1430263063 /nfs/dbraw/zinc/26/30/63/1430263063.db2.gz AMURBCYBVQHARH-FXAWDEMLSA-N 0 1 390.487 3.396 20 0 GGADMN COCCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)cc1 ZINC000181287752 1430263570 /nfs/dbraw/zinc/26/35/70/1430263570.db2.gz DFSWDKIZDUTZHB-QFBILLFUSA-N 0 1 384.476 3.177 20 0 GGADMN CC[C@@H](N[C@H]1CCN(c2ccccc2OC)C1=O)c1ccc2c(c1)OCCO2 ZINC000181288551 1430263761 /nfs/dbraw/zinc/26/37/61/1430263761.db2.gz QFDUIDNGDICLQY-SJORKVTESA-N 0 1 382.460 3.313 20 0 GGADMN COCc1cc([C@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)ccc1OC ZINC000181289248 1430263953 /nfs/dbraw/zinc/26/39/53/1430263953.db2.gz RXFKQEWCVKLXOJ-MAUKXSAKSA-N 0 1 384.476 3.306 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@@H]2CCN(c3ccccc3OC)C2=O)s1 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GGADMN C[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1cccc(N2CCCC2=O)c1 ZINC000181411895 1430291326 /nfs/dbraw/zinc/29/13/26/1430291326.db2.gz PPRMPMRMVFGZQH-CYBMUJFWSA-N 0 1 391.924 3.495 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181412712 1430291504 /nfs/dbraw/zinc/29/15/04/1430291504.db2.gz BOFNALLTBJSXOB-HZPDHXFCSA-N 0 1 381.476 3.500 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCCc1cccs1 ZINC000181416100 1430292989 /nfs/dbraw/zinc/29/29/89/1430292989.db2.gz LJNODIIMFJRCPU-JKSUJKDBSA-N 0 1 385.533 3.273 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181417057 1430293446 /nfs/dbraw/zinc/29/34/46/1430293446.db2.gz BOVOABXUKBUCBE-CVEARBPZSA-N 0 1 383.467 3.308 20 0 GGADMN COc1cccc(CNC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181417237 1430293465 /nfs/dbraw/zinc/29/34/65/1430293465.db2.gz OPWPSQRXLVDFCK-DLBZAZTESA-N 0 1 395.503 3.178 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)OCO5)C3)[nH]c2c1 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RDTLVDYDDQLGJL-UHFFFAOYSA-N 0 1 378.392 3.128 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181435526 1430298134 /nfs/dbraw/zinc/29/81/34/1430298134.db2.gz SDRCNMNMAUCJLC-IRXDYDNUSA-N 0 1 395.503 3.350 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181435582 1430298174 /nfs/dbraw/zinc/29/81/74/1430298174.db2.gz SDRCNMNMAUCJLC-IAGOWNOFSA-N 0 1 395.503 3.350 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 ZINC000181446224 1430300867 /nfs/dbraw/zinc/30/08/67/1430300867.db2.gz OOUVTAMSAJWNKG-DGCLKSJQSA-N 0 1 395.475 3.375 20 0 GGADMN C[C@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc([S@](C)=O)cc1 ZINC000181446721 1430301403 /nfs/dbraw/zinc/30/14/03/1430301403.db2.gz MJXNKRSOVDGTLP-WANDFBQESA-N 0 1 378.444 3.158 20 0 GGADMN C[C@@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc([S@](C)=O)cc1 ZINC000181446738 1430301417 /nfs/dbraw/zinc/30/14/17/1430301417.db2.gz MJXNKRSOVDGTLP-FJWQHWMGSA-N 0 1 378.444 3.158 20 0 GGADMN C[C@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cccc(N2CCCC2=O)c1 ZINC000181447576 1430301673 /nfs/dbraw/zinc/30/16/73/1430301673.db2.gz YNBIEVFWTYMXNS-JXFKEZNVSA-N 0 1 379.460 3.489 20 0 GGADMN C[C@@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc(N2CCCC2=O)c1 ZINC000181447553 1430301721 /nfs/dbraw/zinc/30/17/21/1430301721.db2.gz YNBIEVFWTYMXNS-OXQOHEQNSA-N 0 1 379.460 3.489 20 0 GGADMN COC[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000181447706 1430301759 /nfs/dbraw/zinc/30/17/59/1430301759.db2.gz LMAKKHXTFUOTOE-AUUYWEPGSA-N 0 1 376.403 3.163 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181453900 1430303260 /nfs/dbraw/zinc/30/32/60/1430303260.db2.gz ACPKYBACQVODEX-IAQYHMDHSA-N 0 1 394.422 3.151 20 0 GGADMN CN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000181454778 1430303387 /nfs/dbraw/zinc/30/33/87/1430303387.db2.gz ZMHKJDSARXLAAU-AEFFLSMTSA-N 0 1 390.915 3.006 20 0 GGADMN O=C(NCc1nc(C2CC2)cs1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181463946 1430305002 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NQFKAXXJHXIAQQ-DLBZAZTESA-N 0 1 395.463 3.340 20 0 GGADMN CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000181485617 1430308777 /nfs/dbraw/zinc/30/87/77/1430308777.db2.gz RXPBKUYVRYABMC-AVRDEDQJSA-N 0 1 381.520 3.267 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1ccccc1F)C1CCCC1)C(=O)N1CCCCC1 ZINC000181489305 1430309374 /nfs/dbraw/zinc/30/93/74/1430309374.db2.gz XSSSHEMSEPXYPW-KKSFZXQISA-N 0 1 389.515 3.164 20 0 GGADMN O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181496993 1430310669 /nfs/dbraw/zinc/31/06/69/1430310669.db2.gz MOBDVILAHHLACO-TUAOUCFPSA-N 0 1 376.407 3.382 20 0 GGADMN COC1(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000181497192 1430310848 /nfs/dbraw/zinc/31/08/48/1430310848.db2.gz CNXWZSSIXJMQCK-YOEHRIQHSA-N 0 1 383.895 3.340 20 0 GGADMN O=C(NCc1nc(CN[C@H](CCO)C2CCCCC2)cs1)c1ccccc1 ZINC000181499043 1430311084 /nfs/dbraw/zinc/31/10/84/1430311084.db2.gz BZDIKYHOLAYMEQ-LJQANCHMSA-N 0 1 387.549 3.494 20 0 GGADMN O=C(NCc1nc(CN[C@@H](CCO)C2CCCCC2)cs1)c1ccccc1 ZINC000181499026 1430311183 /nfs/dbraw/zinc/31/11/83/1430311183.db2.gz BZDIKYHOLAYMEQ-IBGZPJMESA-N 0 1 387.549 3.494 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](c1ccccc1F)C1CCCC1)c1ccccc1 ZINC000181499163 1430311190 /nfs/dbraw/zinc/31/11/90/1430311190.db2.gz OPFXPAWEFKWDNR-FCHUYYIVSA-N 0 1 397.494 3.250 20 0 GGADMN C[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000181504057 1430311526 /nfs/dbraw/zinc/31/15/26/1430311526.db2.gz PRQKSIPBIXQYDA-ZDUSSCGKSA-N 0 1 394.924 3.376 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN[C@@H](CCO)C3CCCCC3)nc2c1 ZINC000181503987 1430311649 /nfs/dbraw/zinc/31/16/49/1430311649.db2.gz FVTWRMQNKORZLX-INIZCTEOSA-N 0 1 380.510 3.042 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1cccc(O)c1 ZINC000181510114 1430312828 /nfs/dbraw/zinc/31/28/28/1430312828.db2.gz DJDOUHJNYZAMGS-MRXNPFEDSA-N 0 1 387.911 3.041 20 0 GGADMN CCc1c2cc(C)ccc2oc1[C@H](C)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000181521239 1430314556 /nfs/dbraw/zinc/31/45/56/1430314556.db2.gz YXPRFERNQBHACC-HNNXBMFYSA-N 0 1 393.487 3.370 20 0 GGADMN COC(=O)c1sc2[n-]c(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)nc(=O)c2c1C ZINC000181529541 1430315811 /nfs/dbraw/zinc/31/58/11/1430315811.db2.gz YJHBMORDIJDIBH-YPMHNXCESA-N 0 1 385.489 3.361 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000181531574 1430315951 /nfs/dbraw/zinc/31/59/51/1430315951.db2.gz IAUOVVVIAJRYMR-XIKOKIGWSA-N 0 1 394.302 3.248 20 0 GGADMN Cn1cccc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181537014 1430317128 /nfs/dbraw/zinc/31/71/28/1430317128.db2.gz JJTQGUNKFYLPFS-HNNXBMFYSA-N 0 1 387.390 3.141 20 0 GGADMN C[C@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(O)c1 ZINC000181549325 1430318900 /nfs/dbraw/zinc/31/89/00/1430318900.db2.gz HTVAFEZTOSOJHH-LBPRGKRZSA-N 0 1 376.840 3.496 20 0 GGADMN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000181553822 1430319474 /nfs/dbraw/zinc/31/94/74/1430319474.db2.gz DPIHHSUHVXBDNV-HXUWFJFHSA-N 0 1 386.540 3.471 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n[nH]1 ZINC000181556484 1430319800 /nfs/dbraw/zinc/31/98/00/1430319800.db2.gz AULSPFDDDCMCND-ONGXEEELSA-N 0 1 386.422 3.085 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000181559459 1430320322 /nfs/dbraw/zinc/32/03/22/1430320322.db2.gz CVUHZDQDUVDGQT-ULQDDVLXSA-N 0 1 383.492 3.295 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000181559441 1430320410 /nfs/dbraw/zinc/32/04/10/1430320410.db2.gz CVUHZDQDUVDGQT-BBWFWOEESA-N 0 1 383.492 3.295 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000181562147 1430320729 /nfs/dbraw/zinc/32/07/29/1430320729.db2.gz JINJLDCTBQHJJL-JKSUJKDBSA-N 0 1 383.492 3.091 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000181562171 1430320780 /nfs/dbraw/zinc/32/07/80/1430320780.db2.gz JINJLDCTBQHJJL-HOTGVXAUSA-N 0 1 383.492 3.091 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000181562192 1430320787 /nfs/dbraw/zinc/32/07/87/1430320787.db2.gz JINJLDCTBQHJJL-HZPDHXFCSA-N 0 1 383.492 3.091 20 0 GGADMN CC[C@H](NC(=O)N1CCC(CCCN2CCOCC2)CC1)c1nc(C)cs1 ZINC000181565399 1430320991 /nfs/dbraw/zinc/32/09/91/1430320991.db2.gz ULICIBGYXUAIFX-SFHVURJKSA-N 0 1 394.585 3.437 20 0 GGADMN CCOC(=O)c1c(NC(=O)CN[C@H](C)c2cccc(O)c2)sc2c1CCC2 ZINC000181569808 1430321425 /nfs/dbraw/zinc/32/14/25/1430321425.db2.gz SBXDPZILOGLKKU-GFCCVEGCSA-N 0 1 388.489 3.408 20 0 GGADMN O=C(NC[C@@H]1CCOc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181570348 1430321492 /nfs/dbraw/zinc/32/14/92/1430321492.db2.gz CLBBHXBZDWFPRR-HOTGVXAUSA-N 0 1 381.480 3.137 20 0 GGADMN O=C(NC[C@@H]1CCOc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181570516 1430321789 /nfs/dbraw/zinc/32/17/89/1430321789.db2.gz CLBBHXBZDWFPRR-JKSUJKDBSA-N 0 1 381.480 3.137 20 0 GGADMN O=C(N[C@H]1CCOc2ccc(F)cc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181571794 1430321954 /nfs/dbraw/zinc/32/19/54/1430321954.db2.gz ISCNXORMMJRYBB-CJNGLKHVSA-N 0 1 385.443 3.234 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@H](Oc2cccc(F)c2)C1)c1cccs1 ZINC000181573391 1430322289 /nfs/dbraw/zinc/32/22/89/1430322289.db2.gz GETDGYYBFQIRKQ-DLBZAZTESA-N 0 1 377.485 3.353 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181574061 1430322321 /nfs/dbraw/zinc/32/23/21/1430322321.db2.gz UZCVCQULPJWLOK-MOPGFXCFSA-N 0 1 387.455 3.419 20 0 GGADMN CCc1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc(=O)[nH]1 ZINC000181576763 1430322593 /nfs/dbraw/zinc/32/25/93/1430322593.db2.gz OEQNLSHRNXEWBW-UHFFFAOYSA-N 0 1 396.491 3.004 20 0 GGADMN COC(=O)c1c(NC(=O)CN[C@H](C)c2cccc(O)c2)sc2c1CCCC2 ZINC000181581772 1430323175 /nfs/dbraw/zinc/32/31/75/1430323175.db2.gz RPYKMDZUGPZWNC-GFCCVEGCSA-N 0 1 388.489 3.408 20 0 GGADMN COC(=O)c1c(NC(=O)CN[C@@H](C)c2cccc(O)c2)sc2c1CCCC2 ZINC000181581756 1430323204 /nfs/dbraw/zinc/32/32/04/1430323204.db2.gz RPYKMDZUGPZWNC-LBPRGKRZSA-N 0 1 388.489 3.408 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(O)c2)cc1OC ZINC000181582888 1430323514 /nfs/dbraw/zinc/32/35/14/1430323514.db2.gz UYFYXZXNQKRQFA-HNAYVOBHSA-N 0 1 384.476 3.424 20 0 GGADMN O=c1cc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)[nH]c2ccnn21 ZINC000181586230 1430323839 /nfs/dbraw/zinc/32/38/39/1430323839.db2.gz HYRYCMBEFLIRCY-LJQANCHMSA-N 0 1 380.398 3.374 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000181602639 1430326344 /nfs/dbraw/zinc/32/63/44/1430326344.db2.gz DDWXEEBDEKDQPK-OLZOCXBDSA-N 0 1 386.414 3.156 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1cccc(C(F)(F)F)c1 ZINC000181602904 1430326359 /nfs/dbraw/zinc/32/63/59/1430326359.db2.gz VLPHYSYBBOKRAR-OAHLLOKOSA-N 0 1 395.425 3.293 20 0 GGADMN COc1cccc2cc([C@H](C)NCCNS(=O)(=O)c3ccc(C)cc3)oc21 ZINC000181611764 1430327743 /nfs/dbraw/zinc/32/77/43/1430327743.db2.gz DELZZYKJSXSPKN-HNNXBMFYSA-N 0 1 388.489 3.379 20 0 GGADMN CCOc1cccc2cc([C@@H](C)NCCNS(=O)(=O)c3ccccc3)oc21 ZINC000181614816 1430328249 /nfs/dbraw/zinc/32/82/49/1430328249.db2.gz XWWOWMUWDMBLFT-OAHLLOKOSA-N 0 1 388.489 3.461 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@H](c1ccco1)N(C)C ZINC000181616096 1430328328 /nfs/dbraw/zinc/32/83/28/1430328328.db2.gz VGNPHASXOVMBLB-SFHVURJKSA-N 0 1 382.464 3.035 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000181619151 1430328923 /nfs/dbraw/zinc/32/89/23/1430328923.db2.gz XINDGLAINQAERD-LJQANCHMSA-N 0 1 396.491 3.382 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000181619131 1430329014 /nfs/dbraw/zinc/32/90/14/1430329014.db2.gz XINDGLAINQAERD-IBGZPJMESA-N 0 1 396.491 3.382 20 0 GGADMN CC(C)COc1ccc([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181636972 1430332374 /nfs/dbraw/zinc/33/23/74/1430332374.db2.gz LYRNHIWSYQEKSS-NVXWUHKLSA-N 0 1 397.562 3.268 20 0 GGADMN CC(C)COc1ccc([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181636951 1430332421 /nfs/dbraw/zinc/33/24/21/1430332421.db2.gz LYRNHIWSYQEKSS-RDJZCZTQSA-N 0 1 397.562 3.268 20 0 GGADMN Cc1ccc(Cn2cccc(NC(=O)N3CCN(C)C[C@H]3C(C)C)c2=O)cc1 ZINC000181636685 1430332456 /nfs/dbraw/zinc/33/24/56/1430332456.db2.gz RSVKUBRHVVXISG-FQEVSTJZSA-N 0 1 382.508 3.009 20 0 GGADMN CC(C)[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F ZINC000181637347 1430332750 /nfs/dbraw/zinc/33/27/50/1430332750.db2.gz ZBSKAQJXEZPCKK-FQEVSTJZSA-N 0 1 376.403 3.297 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccoc2C(=O)OC)CC1 ZINC000181640606 1430332981 /nfs/dbraw/zinc/33/29/81/1430332981.db2.gz UVAWUMIVVRBDMD-OAHLLOKOSA-N 0 1 389.471 3.198 20 0 GGADMN C[C@@H](NCC(=O)NCc1cccc(COCc2ccco2)c1)c1cccnc1 ZINC000181642497 1430333409 /nfs/dbraw/zinc/33/34/09/1430333409.db2.gz RGEYRMHLTNKBRE-QGZVFWFLSA-N 0 1 379.460 3.358 20 0 GGADMN CCCn1c(C)nnc1CN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181644095 1430333839 /nfs/dbraw/zinc/33/38/39/1430333839.db2.gz NXJCUDFGLKALOG-INIZCTEOSA-N 0 1 388.535 3.128 20 0 GGADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000181662818 1430337621 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COC(=O)Nc1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1F ZINC000182573853 1430495544 /nfs/dbraw/zinc/49/55/44/1430495544.db2.gz XQMSUNVXKSORGF-UHFFFAOYSA-N 0 1 392.406 3.397 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(Cl)c1 ZINC000182588026 1430498075 /nfs/dbraw/zinc/49/80/75/1430498075.db2.gz PTKHJELAMHMPIO-KRWDZBQOSA-N 0 1 385.851 3.245 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N1CCCCC1 ZINC000182595907 1430499314 /nfs/dbraw/zinc/49/93/14/1430499314.db2.gz GUPWNXQHMUXCNW-FOIQADDNSA-N 0 1 391.943 3.288 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccccc1 ZINC000182596672 1430499704 /nfs/dbraw/zinc/49/97/04/1430499704.db2.gz SLOUBVZZIBGERY-LEWJYISDSA-N 0 1 399.922 3.374 20 0 GGADMN COCCOc1cccc(CNC(=O)CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182630137 1430505864 /nfs/dbraw/zinc/50/58/64/1430505864.db2.gz YWHPIFSLSAUUPT-INIZCTEOSA-N 0 1 382.460 3.425 20 0 GGADMN Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000182632186 1430506235 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20 0 GGADMN Cn1cnc(-c2ccc(C(=O)NCC(C)(C)N3CCc4ccccc4C3)cc2)n1 ZINC000183015452 1430593307 /nfs/dbraw/zinc/59/33/07/1430593307.db2.gz QYLIRSHPBUNIBQ-UHFFFAOYSA-N 0 1 389.503 3.049 20 0 GGADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000183017361 1430593533 /nfs/dbraw/zinc/59/35/33/1430593533.db2.gz AQOWVXHRUPWKRH-LJQANCHMSA-N 0 1 383.511 3.081 20 0 GGADMN Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@@H](C)c2ccc(Cl)s2)c1 ZINC000183016645 1430593548 /nfs/dbraw/zinc/59/35/48/1430593548.db2.gz VQRIXJPYHJQQBS-VIFPVBQESA-N 0 1 394.863 3.114 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183018726 1430594095 /nfs/dbraw/zinc/59/40/95/1430594095.db2.gz AFJJYFVGMIUQBI-PXAZEXFGSA-N 0 1 395.912 3.055 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183018687 1430594123 /nfs/dbraw/zinc/59/41/23/1430594123.db2.gz AFJJYFVGMIUQBI-SJCJKPOMSA-N 0 1 395.912 3.055 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183022516 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DTCTVJAQZMBOAD-JTDSTZFVSA-N 0 1 398.511 3.173 20 0 GGADMN COc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(OC2CCCC2)c1 ZINC000183070733 1430605198 /nfs/dbraw/zinc/60/51/98/1430605198.db2.gz SZIGNTGKYBUNRM-ICSRJNTNSA-N 0 1 381.538 3.462 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)C(F)(F)F ZINC000183069690 1430605401 /nfs/dbraw/zinc/60/54/01/1430605401.db2.gz BGZSUFPUFUNMCK-OAHLLOKOSA-N 0 1 386.462 3.077 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cc2[nH]c1=S ZINC000183071204 1430605779 /nfs/dbraw/zinc/60/57/79/1430605779.db2.gz KFIBAMXZUBBHDW-GFCCVEGCSA-N 0 1 387.427 3.319 20 0 GGADMN Cc1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c(OC[C@@H]2CCCO2)c1 ZINC000183075263 1430606713 /nfs/dbraw/zinc/60/67/13/1430606713.db2.gz KNVXMAOTLWJPSU-RDJZCZTQSA-N 0 1 385.468 3.430 20 0 GGADMN CC(C)CN(Cc1cn(Cc2cccnc2)nn1)C[C@@H](O)c1ccc(F)cc1 ZINC000183080659 1430608102 /nfs/dbraw/zinc/60/81/02/1430608102.db2.gz CMJRKUZZGGIONB-OAQYLSRUSA-N 0 1 383.471 3.052 20 0 GGADMN Cc1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c(C)n1 ZINC000183089547 1430610062 /nfs/dbraw/zinc/61/00/62/1430610062.db2.gz FAJFAPTXZAZGNR-UHFFFAOYSA-N 0 1 393.413 3.116 20 0 GGADMN C[S@](=O)C[C@H](NC[C@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000183101849 1430613026 /nfs/dbraw/zinc/61/30/26/1430613026.db2.gz BHXZDVCHVPNTAK-NJVGLYJLSA-N 0 1 383.513 3.289 20 0 GGADMN COC(=O)C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(C(F)(F)F)cc1 ZINC000183108317 1430615736 /nfs/dbraw/zinc/61/57/36/1430615736.db2.gz CHEWRCYVMOQJHY-AWEZNQCLSA-N 0 1 392.337 3.011 20 0 GGADMN COC[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000183111374 1430616696 /nfs/dbraw/zinc/61/66/96/1430616696.db2.gz KBJNFLDTBADAFR-NQIIRXRSSA-N 0 1 388.458 3.476 20 0 GGADMN COC[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000183111429 1430616710 /nfs/dbraw/zinc/61/67/10/1430616710.db2.gz KBJNFLDTBADAFR-GHTZIAJQSA-N 0 1 388.458 3.476 20 0 GGADMN COC[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000183111410 1430616878 /nfs/dbraw/zinc/61/68/78/1430616878.db2.gz KBJNFLDTBADAFR-RXVVDRJESA-N 0 1 388.458 3.476 20 0 GGADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000183121232 1430620277 /nfs/dbraw/zinc/62/02/77/1430620277.db2.gz QHKDPDQEEGPHQC-LJQANCHMSA-N 0 1 395.522 3.354 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c(C)o1 ZINC000183138417 1430626076 /nfs/dbraw/zinc/62/60/76/1430626076.db2.gz VPXQDLKLSZDFDU-UHFFFAOYSA-N 0 1 397.460 3.128 20 0 GGADMN N#CC(C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000183153393 1430630577 /nfs/dbraw/zinc/63/05/77/1430630577.db2.gz PVZAMYCNPVOMMA-ZDUSSCGKSA-N 0 1 386.333 3.188 20 0 GGADMN N#CC(C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000183153412 1430630599 /nfs/dbraw/zinc/63/05/99/1430630599.db2.gz PVZAMYCNPVOMMA-CYBMUJFWSA-N 0 1 386.333 3.188 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)O[C@@H]3CCN(Cc4ccccc4)C3)cn2)C[C@@H](C)O1 ZINC000183158194 1430632641 /nfs/dbraw/zinc/63/26/41/1430632641.db2.gz QRYVZAASSOWZTJ-DBXWQHBBSA-N 0 1 395.503 3.127 20 0 GGADMN O=C(CN1CCC(n2ccc(C(F)(F)F)n2)CC1)N1CCc2sccc2C1 ZINC000183158422 1430633015 /nfs/dbraw/zinc/63/30/15/1430633015.db2.gz WQIOGUMVYBAEDX-UHFFFAOYSA-N 0 1 398.454 3.185 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183165866 1430636053 /nfs/dbraw/zinc/63/60/53/1430636053.db2.gz NLYMOXCLERSASU-UHFFFAOYSA-N 0 1 398.404 3.337 20 0 GGADMN C[S@](=O)C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000183166994 1430636766 /nfs/dbraw/zinc/63/67/66/1430636766.db2.gz WIACEIZWJWVLQM-NUANOYTQSA-N 0 1 389.561 3.433 20 0 GGADMN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183179969 1430640501 /nfs/dbraw/zinc/64/05/01/1430640501.db2.gz QKUQPGDKJZTGCW-CYBMUJFWSA-N 0 1 398.404 3.383 20 0 GGADMN Cc1ccccc1CCNC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183190522 1430643243 /nfs/dbraw/zinc/64/32/43/1430643243.db2.gz XLXKBQFRQGTPLG-UHFFFAOYSA-N 0 1 394.441 3.206 20 0 GGADMN Cc1[nH]ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000183202425 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C[C@@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(CO)c1 ZINC000183218938 1430651174 /nfs/dbraw/zinc/65/11/74/1430651174.db2.gz SKTWQBFOYBXASW-QGZVFWFLSA-N 0 1 388.533 3.204 20 0 GGADMN CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000183222564 1430651637 /nfs/dbraw/zinc/65/16/37/1430651637.db2.gz VMKDKAMSKHCVFY-VXKWHMMOSA-N 0 1 387.568 3.148 20 0 GGADMN Cc1ccc(NC2CCN(Cc3ccccn3)CC2)cc1-c1nnnn1C1CC1 ZINC000183230277 1430654020 /nfs/dbraw/zinc/65/40/20/1430654020.db2.gz WNKDAPREQVWUFW-UHFFFAOYSA-N 0 1 389.507 3.455 20 0 GGADMN CCC[C@@H]1C[C@@H](C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000183232760 1430655064 /nfs/dbraw/zinc/65/50/64/1430655064.db2.gz HQGZXCMAHYXPHD-RBBKRZOGSA-N 0 1 387.568 3.219 20 0 GGADMN CC1([C@H]2CCCN(Cc3cc(Br)c4c(c3)OCCO4)C2)OCCO1 ZINC000183244828 1430658744 /nfs/dbraw/zinc/65/87/44/1430658744.db2.gz ZXGLSOPGVTXIOP-AWEZNQCLSA-N 0 1 398.297 3.195 20 0 GGADMN Cc1c2ccccc2oc1[C@H](NCC(=O)NC(=O)NCC(F)(F)F)C(C)C ZINC000183259956 1430662118 /nfs/dbraw/zinc/66/21/18/1430662118.db2.gz HWRUTMYDWFCXNM-OAHLLOKOSA-N 0 1 385.386 3.416 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)Cc3cn4ccsc4n3)CCN2C2CC2)c1 ZINC000183263402 1430663295 /nfs/dbraw/zinc/66/32/95/1430663295.db2.gz GWFZNUBGKGEGRU-UYAOXDASSA-N 0 1 396.516 3.041 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)CCc3cncc(F)c3)CCN2C2CC2)c1 ZINC000183263981 1430663581 /nfs/dbraw/zinc/66/35/81/1430663581.db2.gz CFWZTYZHSBYVCD-IRLDBZIGSA-N 0 1 383.467 3.256 20 0 GGADMN O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cccc(-n2ccnn2)c1 ZINC000183265284 1430664278 /nfs/dbraw/zinc/66/42/78/1430664278.db2.gz NZBHXHPXKXHNNK-UHFFFAOYSA-N 0 1 391.218 3.041 20 0 GGADMN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@H](c2oc3ccccc3c2C)C(C)C)C1 ZINC000183267633 1430664832 /nfs/dbraw/zinc/66/48/32/1430664832.db2.gz RKPZVRCVFQMPAE-UTKZUKDTSA-N 0 1 385.508 3.155 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1(C(=O)NCC2CC2)CCCC1 ZINC000183270036 1430665757 /nfs/dbraw/zinc/66/57/57/1430665757.db2.gz QULXZPFLVCCPHL-UHFFFAOYSA-N 0 1 391.422 3.461 20 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3.475 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000183781798 1430792221 /nfs/dbraw/zinc/79/22/21/1430792221.db2.gz STHPAAHCZVLDEU-BXWFABGCSA-N 0 1 382.460 3.083 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)o1 ZINC000183782484 1430792580 /nfs/dbraw/zinc/79/25/80/1430792580.db2.gz OHLVZCYBOVIJLM-INIZCTEOSA-N 0 1 383.492 3.424 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(C)o1 ZINC000183786435 1430793469 /nfs/dbraw/zinc/79/34/69/1430793469.db2.gz IVHCRKCMJYPFRU-INIZCTEOSA-N 0 1 383.492 3.099 20 0 GGADMN Cc1cc([C@H](C)NCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(C)o1 ZINC000183802730 1430797773 /nfs/dbraw/zinc/79/77/73/1430797773.db2.gz MKOOUHIVLQFVEI-INIZCTEOSA-N 0 1 389.540 3.235 20 0 GGADMN Clc1ccc(-n2cc(CNCCCOCC3CCOCC3)nn2)cc1Cl ZINC000183807183 1430798580 /nfs/dbraw/zinc/79/85/80/1430798580.db2.gz QUJRLGZMVUAIFP-UHFFFAOYSA-N 0 1 399.322 3.497 20 0 GGADMN Cn1nnc2cc(C(=O)Nc3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cnc21 ZINC000183808108 1430798591 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CCC[C@@H](NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C)c1nn[nH]n1 ZINC000183874578 1430807503 /nfs/dbraw/zinc/80/75/03/1430807503.db2.gz DCAZHYRGWZNAII-GFCCVEGCSA-N 0 1 394.357 3.453 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183879848 1430808007 /nfs/dbraw/zinc/80/80/07/1430808007.db2.gz IABYIKFNFRGCNW-RHSMWYFYSA-N 0 1 380.533 3.259 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000183894534 1430809932 /nfs/dbraw/zinc/80/99/32/1430809932.db2.gz GNCBADYPFBYPNN-OAHLLOKOSA-N 0 1 382.382 3.209 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CSCCS1)c1cccc(C(F)(F)F)c1 ZINC000183899037 1430810389 /nfs/dbraw/zinc/81/03/89/1430810389.db2.gz XCNAJAXEPKFVMV-UONOGXRCSA-N 0 1 378.485 3.273 20 0 GGADMN Cc1n[nH]cc1CCCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000183899885 1430810572 /nfs/dbraw/zinc/81/05/72/1430810572.db2.gz ZABGHLBKOCBPME-KRWDZBQOSA-N 0 1 397.445 3.272 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183904089 1430811172 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O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(Cl)cc1F ZINC000183922739 1430813693 /nfs/dbraw/zinc/81/36/93/1430813693.db2.gz MPZAYTKFRHBTQL-UHFFFAOYSA-N 0 1 375.791 3.498 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N(C)C[C@H](C)c2nccs2)cc1F ZINC000183923656 1430813938 /nfs/dbraw/zinc/81/39/38/1430813938.db2.gz XMMRDRULAWWVRG-KBPBESRZSA-N 0 1 379.501 3.373 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N(C)C[C@@H](C)c2nccs2)cc1F ZINC000183923674 1430813989 /nfs/dbraw/zinc/81/39/89/1430813989.db2.gz XMMRDRULAWWVRG-KGLIPLIRSA-N 0 1 379.501 3.373 20 0 GGADMN CC(=O)N1CCN(C(=O)[C@H](C)NC(c2ccccc2C)c2ccccc2C)CC1 ZINC000183946331 1430816615 /nfs/dbraw/zinc/81/66/15/1430816615.db2.gz AJRKAYLSUBZFCE-IBGZPJMESA-N 0 1 393.531 3.062 20 0 GGADMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000183947802 1430817051 /nfs/dbraw/zinc/81/70/51/1430817051.db2.gz ZFVRSZZZBZECFU-AWEZNQCLSA-N 0 1 379.317 3.213 20 0 GGADMN O=C(NCCN1CCN(Cc2ccc(C(F)F)cc2)CC1)c1ccccc1F ZINC000183949287 1430817323 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CC[C@H]1CN(C(=O)Nc2ccc(C)c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000183993798 1430825409 /nfs/dbraw/zinc/82/54/09/1430825409.db2.gz WGEBUHNVTAVWHO-IBGZPJMESA-N 0 1 380.492 3.222 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000183994159 1430825462 /nfs/dbraw/zinc/82/54/62/1430825462.db2.gz IXVSPPBMARPPQJ-VXGBXAGGSA-N 0 1 399.390 3.345 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@@H](C)c3nccs3)C2=O)c1 ZINC000183999492 1430826530 /nfs/dbraw/zinc/82/65/30/1430826530.db2.gz SAEGYDQMUCCGQI-CXAGYDPISA-N 0 1 375.494 3.001 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(-c3nnc[nH]3)cc1)CC2 ZINC000184005129 1430827519 /nfs/dbraw/zinc/82/75/19/1430827519.db2.gz RYGXYYWWGOPBAH-UHFFFAOYSA-N 0 1 392.459 3.468 20 0 GGADMN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000184013381 1430828896 /nfs/dbraw/zinc/82/88/96/1430828896.db2.gz SXXFDYPKHZHIBK-INIZCTEOSA-N 0 1 376.526 3.027 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184019170 1430829872 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Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184077248 1430838072 /nfs/dbraw/zinc/83/80/72/1430838072.db2.gz JNVRBYNFAAUMCP-YOEHRIQHSA-N 0 1 393.516 3.159 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)ccc1N(C)C ZINC000184079223 1430838369 /nfs/dbraw/zinc/83/83/69/1430838369.db2.gz CRFCGMZSYGSLIU-UHFFFAOYSA-N 0 1 380.452 3.080 20 0 GGADMN Cc1cc2occ(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)c2cc1C ZINC000184097784 1430840642 /nfs/dbraw/zinc/84/06/42/1430840642.db2.gz JXTWBKVRUUVYDO-UHFFFAOYSA-N 0 1 378.476 3.126 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCC(O)(c2ccccc2)CC1 ZINC000184098871 1430841000 /nfs/dbraw/zinc/84/10/00/1430841000.db2.gz LKIBVRLCPJTOPZ-FQEVSTJZSA-N 0 1 397.519 3.500 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)CNC(=O)c2ccc(F)cc2)[nH]1 ZINC000184101223 1430841240 /nfs/dbraw/zinc/84/12/40/1430841240.db2.gz IHIGUCGNLHMFHN-UHFFFAOYSA-N 0 1 381.411 3.103 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OC ZINC000184118971 1430843616 /nfs/dbraw/zinc/84/36/16/1430843616.db2.gz KLCWBZMQWXYCLM-KRWDZBQOSA-N 0 1 378.432 3.466 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000184119241 1430843746 /nfs/dbraw/zinc/84/37/46/1430843746.db2.gz PFCIVZOCDMJHQZ-LPHOPBHVSA-N 0 1 393.503 3.192 20 0 GGADMN CSc1c(F)cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1F ZINC000184144551 1430846855 /nfs/dbraw/zinc/84/68/55/1430846855.db2.gz ODDZLOOHJBSIQU-INIZCTEOSA-N 0 1 393.459 3.044 20 0 GGADMN CCSCc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)no1 ZINC000184143146 1430846898 /nfs/dbraw/zinc/84/68/98/1430846898.db2.gz BZISWCKDONJJPY-UHFFFAOYSA-N 0 1 377.485 3.461 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)N1CCCCC1 ZINC000184155765 1430848309 /nfs/dbraw/zinc/84/83/09/1430848309.db2.gz YPAMLMMHFCJMMX-HXUWFJFHSA-N 0 1 395.503 3.218 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCSC[C@@H]3c3nccs3)n[nH]2)c1 ZINC000184163693 1430849272 /nfs/dbraw/zinc/84/92/72/1430849272.db2.gz AMGDXFYWPLPQKY-MRXNPFEDSA-N 0 1 386.502 3.472 20 0 GGADMN C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1scnc1C1CCCC1 ZINC000184168487 1430850117 /nfs/dbraw/zinc/85/01/17/1430850117.db2.gz JWQLGYVWQIUYHN-LLVKDONJSA-N 0 1 377.441 3.168 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000184177849 1430851268 /nfs/dbraw/zinc/85/12/68/1430851268.db2.gz NQFLZBLKRZGYIW-QUCCMNQESA-N 0 1 393.890 3.289 20 0 GGADMN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184178114 1430851641 /nfs/dbraw/zinc/85/16/41/1430851641.db2.gz XGVHADJJHBBCOQ-UHFFFAOYSA-N 0 1 375.432 3.350 20 0 GGADMN C[NH+]1CCN(CCC(C)(C)NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000184190646 1430853558 /nfs/dbraw/zinc/85/35/58/1430853558.db2.gz GYRNGUJHCBDKDQ-QGZVFWFLSA-N 0 1 385.474 3.255 20 0 GGADMN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184192858 1430854132 /nfs/dbraw/zinc/85/41/32/1430854132.db2.gz WJEJTOYHJLJZDU-MRXNPFEDSA-N 0 1 393.959 3.081 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](CCc2ccccc2)C1)c1cccs1 ZINC000184224287 1430858853 /nfs/dbraw/zinc/85/88/53/1430858853.db2.gz FLTWFRFFKJEYHF-RTBURBONSA-N 0 1 387.549 3.394 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@H](CCc2ccccc2)C1)c1cccs1 ZINC000184224277 1430858905 /nfs/dbraw/zinc/85/89/05/1430858905.db2.gz FLTWFRFFKJEYHF-MOPGFXCFSA-N 0 1 387.549 3.394 20 0 GGADMN COc1ccccc1[C@@H](C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)[NH+]1CCCCC1 ZINC000184237821 1430860914 /nfs/dbraw/zinc/86/09/14/1430860914.db2.gz ALRMZANEBOJFHY-DZGCQCFKSA-N 0 1 394.459 3.092 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2c(C)nn(CCOC)c2C)CCN1Cc1ccccc1 ZINC000184246871 1430861774 /nfs/dbraw/zinc/86/17/74/1430861774.db2.gz KCLQFEUGTCNWKO-FQEVSTJZSA-N 0 1 399.539 3.275 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2c(C)nn(CCOC)c2C)CCN1Cc1ccccc1 ZINC000184246853 1430861815 /nfs/dbraw/zinc/86/18/15/1430861815.db2.gz KCLQFEUGTCNWKO-HXUWFJFHSA-N 0 1 399.539 3.275 20 0 GGADMN C[S@](=O)Cc1ccccc1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000184297528 1430870084 /nfs/dbraw/zinc/87/00/84/1430870084.db2.gz QBXNYHFCTVSNIM-PPHZAIPVSA-N 0 1 385.533 3.351 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(COc2ccccc2F)on1 ZINC000184304159 1430871071 /nfs/dbraw/zinc/87/10/71/1430871071.db2.gz JXXYEMSQPGOFIV-UHFFFAOYSA-N 0 1 384.342 3.338 20 0 GGADMN COc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1OC(C)C ZINC000184319135 1430872780 /nfs/dbraw/zinc/87/27/80/1430872780.db2.gz URUSQFSDDBZIAA-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN COc1ccc2oc([C@H](C)N[C@@H](C)C(=O)NC(=O)NCC(C)C)c(C)c2c1 ZINC000184323097 1430873303 /nfs/dbraw/zinc/87/33/03/1430873303.db2.gz NXSRXWMADMWLFN-KBPBESRZSA-N 0 1 375.469 3.271 20 0 GGADMN CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000184333795 1430874428 /nfs/dbraw/zinc/87/44/28/1430874428.db2.gz UJGCRIMZWXUUOP-SFHVURJKSA-N 0 1 395.956 3.311 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2ccccc2C[S@](C)=O)CN1Cc1ccccc1 ZINC000184345913 1430876004 /nfs/dbraw/zinc/87/60/04/1430876004.db2.gz BLNZOVUMXRXIDW-OIXWISFJSA-N 0 1 385.533 3.350 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C[S@](C)=O)CN1Cc1ccccc1 ZINC000184345893 1430876055 /nfs/dbraw/zinc/87/60/55/1430876055.db2.gz BLNZOVUMXRXIDW-TUZCJGOLSA-N 0 1 385.533 3.350 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)NC1CCOCC1 ZINC000184349072 1430876259 /nfs/dbraw/zinc/87/62/59/1430876259.db2.gz RNAOQRPBHZMRGS-LBPRGKRZSA-N 0 1 377.485 3.203 20 0 GGADMN CC[C@H](NC[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000184348419 1430876267 /nfs/dbraw/zinc/87/62/67/1430876267.db2.gz USKKYLPNCQIHTC-CVEARBPZSA-N 0 1 378.494 3.143 20 0 GGADMN CSc1c(F)cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1F ZINC000184349854 1430876490 /nfs/dbraw/zinc/87/64/90/1430876490.db2.gz MYFSIOKRHQGAEV-UHFFFAOYSA-N 0 1 393.440 3.475 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@@H](C)c1cc2ccccc2s1)c1ccccc1 ZINC000184354666 1430877340 /nfs/dbraw/zinc/87/73/40/1430877340.db2.gz JTIJZGVUBWENJJ-VBKZILBWSA-N 0 1 381.501 3.155 20 0 GGADMN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184355301 1430877401 /nfs/dbraw/zinc/87/74/01/1430877401.db2.gz GIRRQMSUNNUBAD-UHFFFAOYSA-N 0 1 375.432 3.140 20 0 GGADMN C[S@](=O)Cc1ccccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000184356188 1430877458 /nfs/dbraw/zinc/87/74/58/1430877458.db2.gz SKGMFUDRXSHDRQ-SANMLTNESA-N 0 1 377.554 3.295 20 0 GGADMN O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184368505 1430879153 /nfs/dbraw/zinc/87/91/53/1430879153.db2.gz OCVSXQGCLWKDAK-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN CCc1nc2cc(NC(=O)NCc3n[nH]c(COc4ccccc4)n3)ccc2o1 ZINC000184370956 1430879579 /nfs/dbraw/zinc/87/95/79/1430879579.db2.gz ORKBHDJRDSFJKP-UHFFFAOYSA-N 0 1 392.419 3.409 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cn(C(C)(C)C)nc1C ZINC000184379443 1430880807 /nfs/dbraw/zinc/88/08/07/1430880807.db2.gz PNMGJSIOXQDKBL-UHFFFAOYSA-N 0 1 399.539 3.349 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccccc1OCC1CC1 ZINC000184403249 1430883634 /nfs/dbraw/zinc/88/36/34/1430883634.db2.gz FNTZMKHORBWALB-UHFFFAOYSA-N 0 1 393.447 3.494 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184434301 1430887381 /nfs/dbraw/zinc/88/73/81/1430887381.db2.gz NHJKPJKFHVHTCZ-UHFFFAOYSA-N 0 1 386.459 3.328 20 0 GGADMN Cc1nc(-c2ccccc2)sc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000184475025 1430892059 /nfs/dbraw/zinc/89/20/59/1430892059.db2.gz AOHIOGUEGHGDOS-MRXNPFEDSA-N 0 1 386.521 3.305 20 0 GGADMN COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184479625 1430892457 /nfs/dbraw/zinc/89/24/57/1430892457.db2.gz GLODVWUBTABBAT-ZFWWWQNUSA-N 0 1 392.521 3.318 20 0 GGADMN C[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184483407 1430893018 /nfs/dbraw/zinc/89/30/18/1430893018.db2.gz QBOMLJXQHKKVFQ-SWLSCSKDSA-N 0 1 382.551 3.228 20 0 GGADMN C[C@@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1nc(C(C)(C)C)cs1 ZINC000184483433 1430893074 /nfs/dbraw/zinc/89/30/74/1430893074.db2.gz QBOMLJXQHKKVFQ-IUODEOHRSA-N 0 1 382.551 3.228 20 0 GGADMN CCc1c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cnn1-c1ccc(OC)cc1 ZINC000184484929 1430893330 /nfs/dbraw/zinc/89/33/30/1430893330.db2.gz XYLBGOZXYPTTEL-UHFFFAOYSA-N 0 1 392.419 3.382 20 0 GGADMN CC1(CO)CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000184491258 1430893998 /nfs/dbraw/zinc/89/39/98/1430893998.db2.gz NOLJFBGDZGUGJL-UHFFFAOYSA-N 0 1 379.932 3.108 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN([C@@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000184498323 1430895226 /nfs/dbraw/zinc/89/52/26/1430895226.db2.gz JHPJYFLAJUNGDL-JKSUJKDBSA-N 0 1 378.538 3.075 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000184498309 1430895352 /nfs/dbraw/zinc/89/53/52/1430895352.db2.gz JHPJYFLAJUNGDL-HOTGVXAUSA-N 0 1 378.538 3.075 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cn1 ZINC000184500091 1430895519 /nfs/dbraw/zinc/89/55/19/1430895519.db2.gz WORLAAUMFDHGST-UHFFFAOYSA-N 0 1 386.433 3.209 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000184501109 1430895630 /nfs/dbraw/zinc/89/56/30/1430895630.db2.gz NGMGGXSXVLZQKC-GFCCVEGCSA-N 0 1 385.514 3.431 20 0 GGADMN CCCN(CCc1cccs1)CC(=O)NNC(=O)c1ccccc1Cl ZINC000184506873 1430896099 /nfs/dbraw/zinc/89/60/99/1430896099.db2.gz CQMDRBALIRGEQI-UHFFFAOYSA-N 0 1 379.913 3.117 20 0 GGADMN Cc1cnc([C@H](C)CNC(=O)N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000184504997 1430896104 /nfs/dbraw/zinc/89/61/04/1430896104.db2.gz ZSKOYQFQAOLJEB-MRXNPFEDSA-N 0 1 394.585 3.089 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)ccc1O ZINC000184511976 1430896786 /nfs/dbraw/zinc/89/67/86/1430896786.db2.gz SCQUKJFYVPUWBW-UHFFFAOYSA-N 0 1 384.251 3.199 20 0 GGADMN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184512697 1430896985 /nfs/dbraw/zinc/89/69/85/1430896985.db2.gz LPDQNSLBXSXEHK-JQWIXIFHSA-N 0 1 395.912 3.100 20 0 GGADMN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184512718 1430897027 /nfs/dbraw/zinc/89/70/27/1430897027.db2.gz LPDQNSLBXSXEHK-ZYHUDNBSSA-N 0 1 395.912 3.100 20 0 GGADMN CC1(CO)CCN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000184517566 1430897318 /nfs/dbraw/zinc/89/73/18/1430897318.db2.gz FTLGMRQSSJYSPO-GOSISDBHSA-N 0 1 379.932 3.281 20 0 GGADMN CCCc1c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cnn1-c1cccc(F)c1 ZINC000184523395 1430898007 /nfs/dbraw/zinc/89/80/07/1430898007.db2.gz GEAJQHUJKMDLLZ-SFHVURJKSA-N 0 1 383.471 3.442 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cc(OC(F)F)n(C)n2)[nH]1 ZINC000184524359 1430898012 /nfs/dbraw/zinc/89/80/12/1430898012.db2.gz ZBTVBOLHHQNETC-UHFFFAOYSA-N 0 1 376.367 3.182 20 0 GGADMN Cc1c(-c2cc(CN3CCC([C@@H](O)c4ccc(F)cc4)CC3)on2)cnn1C ZINC000184540515 1430900718 /nfs/dbraw/zinc/90/07/18/1430900718.db2.gz MHVLRFUGOCYLKX-NRFANRHFSA-N 0 1 384.455 3.468 20 0 GGADMN CN(C)c1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)c2ccccc2n1 ZINC000184558702 1430904543 /nfs/dbraw/zinc/90/45/43/1430904543.db2.gz MMLLOZXWPSWWMM-UHFFFAOYSA-N 0 1 389.503 3.090 20 0 GGADMN C[C@H](NC(=O)c1c(F)ccc(F)c1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000184571323 1430906821 /nfs/dbraw/zinc/90/68/21/1430906821.db2.gz RAEHEVBNFVOHNZ-LBPRGKRZSA-N 0 1 395.400 3.486 20 0 GGADMN Cc1c(-c2cc(CN3CCC[C@@H]3CN(C)C(=O)OC(C)(C)C)on2)cnn1C ZINC000184588151 1430910984 /nfs/dbraw/zinc/91/09/84/1430910984.db2.gz OJVQKYWUFFGCJC-OAHLLOKOSA-N 0 1 389.500 3.215 20 0 GGADMN C[C@H](c1nccs1)N1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000184598274 1430914322 /nfs/dbraw/zinc/91/43/22/1430914322.db2.gz MWVMHOMVXCZSIS-HZPDHXFCSA-N 0 1 380.558 3.079 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000184602162 1430915575 /nfs/dbraw/zinc/91/55/75/1430915575.db2.gz OFVFURRNXGKMRB-UHFFFAOYSA-N 0 1 377.492 3.015 20 0 GGADMN O=C(CCCCc1c[nH]nn1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000184602162 1430915585 /nfs/dbraw/zinc/91/55/85/1430915585.db2.gz OFVFURRNXGKMRB-UHFFFAOYSA-N 0 1 377.492 3.015 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000184609134 1430918595 /nfs/dbraw/zinc/91/85/95/1430918595.db2.gz ZAZIHNIGRSQWQD-HNNXBMFYSA-N 0 1 395.429 3.248 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000184610377 1430918668 /nfs/dbraw/zinc/91/86/68/1430918668.db2.gz OOEGRZHPISYJCF-UHFFFAOYSA-N 0 1 391.475 3.129 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)C[C@H](C)O1 ZINC000184619903 1430921659 /nfs/dbraw/zinc/92/16/59/1430921659.db2.gz MUDAKDGWOLJHDP-GJZGRUSLSA-N 0 1 391.512 3.107 20 0 GGADMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000184620935 1430922062 /nfs/dbraw/zinc/92/20/62/1430922062.db2.gz OXAYSYHRUGDJIC-UHFFFAOYSA-N 0 1 391.174 3.003 20 0 GGADMN COC(=O)CCCN(Cc1cc(-c2cnn(C)c2C)no1)Cc1ccccc1 ZINC000184629220 1430923616 /nfs/dbraw/zinc/92/36/16/1430923616.db2.gz UNFAZLVMFRAJRB-UHFFFAOYSA-N 0 1 382.464 3.339 20 0 GGADMN C[C@H](c1cnccn1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000184631042 1430924079 /nfs/dbraw/zinc/92/40/79/1430924079.db2.gz CHEHJQIWJZOMEF-OLZOCXBDSA-N 0 1 376.386 3.479 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H](C)O1 ZINC000184641136 1430927488 /nfs/dbraw/zinc/92/74/88/1430927488.db2.gz DGALGOKLCCMEGN-IYBDPMFKSA-N 0 1 391.475 3.333 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000184641693 1430928068 /nfs/dbraw/zinc/92/80/68/1430928068.db2.gz MWHBEZMKRSGDRM-IRXDYDNUSA-N 0 1 394.585 3.469 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000184644466 1430928339 /nfs/dbraw/zinc/92/83/39/1430928339.db2.gz IZDVJAMACBVTQO-UWJYYQICSA-N 0 1 380.488 3.295 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000184644448 1430928489 /nfs/dbraw/zinc/92/84/89/1430928489.db2.gz IZDVJAMACBVTQO-UTKZUKDTSA-N 0 1 380.488 3.295 20 0 GGADMN O=C(CCCCc1c[nH]nn1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000184653478 1430931103 /nfs/dbraw/zinc/93/11/03/1430931103.db2.gz GGNXDIWBRFEIQA-GOSISDBHSA-N 0 1 375.904 3.124 20 0 GGADMN O=C(CCCCc1c[nH]nn1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000184653497 1430931336 /nfs/dbraw/zinc/93/13/36/1430931336.db2.gz GGNXDIWBRFEIQA-SFHVURJKSA-N 0 1 375.904 3.124 20 0 GGADMN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCCCc2cn[nH]n2)C1 ZINC000184654396 1430931614 /nfs/dbraw/zinc/93/16/14/1430931614.db2.gz CBARCRYXWCDONF-HOTGVXAUSA-N 0 1 383.496 3.274 20 0 GGADMN CCn1cc([C@H](C)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cn1 ZINC000184671895 1430938175 /nfs/dbraw/zinc/93/81/75/1430938175.db2.gz FWJIMYZQLYNIJP-BBRMVZONSA-N 0 1 380.414 3.374 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000184670868 1430938239 /nfs/dbraw/zinc/93/82/39/1430938239.db2.gz CQRAFCAVCWVEDN-SWLSCSKDSA-N 0 1 380.414 3.199 20 0 GGADMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(F)c(F)c1 ZINC000184687579 1430942970 /nfs/dbraw/zinc/94/29/70/1430942970.db2.gz LBFCAQZWWHPDKZ-LBPRGKRZSA-N 0 1 384.423 3.495 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000184691067 1430943680 /nfs/dbraw/zinc/94/36/80/1430943680.db2.gz BBFDXWKHLQCBGK-UHFFFAOYSA-N 0 1 378.358 3.361 20 0 GGADMN COC[C@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)o1 ZINC000184689890 1430943787 /nfs/dbraw/zinc/94/37/87/1430943787.db2.gz ACZBZRCRQAQVQB-SFHVURJKSA-N 0 1 385.464 3.021 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)C[C@@H](C)c2nccs2)N(C)C)c1 ZINC000184715596 1430950619 /nfs/dbraw/zinc/95/06/19/1430950619.db2.gz PMGNTINPEZHWBE-PBHICJAKSA-N 0 1 376.526 3.200 20 0 GGADMN Cc1c(-c2cc(CN[C@@H](C)c3ccc(N4CCOC4=O)cc3)on2)cnn1C ZINC000184721465 1430953697 /nfs/dbraw/zinc/95/36/97/1430953697.db2.gz DSWAEQUWUGVTDO-ZDUSSCGKSA-N 0 1 381.436 3.191 20 0 GGADMN CC1(CO)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000184729672 1430956386 /nfs/dbraw/zinc/95/63/86/1430956386.db2.gz POFVSLCOWMIOBA-KRWDZBQOSA-N 0 1 399.457 3.084 20 0 GGADMN CC1(CO)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000184729651 1430956679 /nfs/dbraw/zinc/95/66/79/1430956679.db2.gz POFVSLCOWMIOBA-QGZVFWFLSA-N 0 1 399.457 3.084 20 0 GGADMN O=C(NNC(=O)c1ccc(Br)s1)Nc1cccc2[nH]ccc21 ZINC000184732713 1430957607 /nfs/dbraw/zinc/95/76/07/1430957607.db2.gz HFMKMJLMMDUUIY-UHFFFAOYSA-N 0 1 379.239 3.458 20 0 GGADMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000184742403 1430961595 /nfs/dbraw/zinc/96/15/95/1430961595.db2.gz ZPCIWKURGVUDLL-UHFFFAOYSA-N 0 1 381.867 3.396 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCSC[C@@H]1c1nccs1 ZINC000184745524 1430962892 /nfs/dbraw/zinc/96/28/92/1430962892.db2.gz UQDCAFPDKHRLLK-HUUCEWRRSA-N 0 1 392.550 3.373 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)N2CCCC2)cc1 ZINC000184745870 1430962986 /nfs/dbraw/zinc/96/29/86/1430962986.db2.gz IWIQOOJFDFMJEI-HXUWFJFHSA-N 0 1 391.475 3.047 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3cnc(C4CCCC4)s3)CC2)nn1 ZINC000184755403 1430967137 /nfs/dbraw/zinc/96/71/37/1430967137.db2.gz KDSZQFBCDQQOEK-UHFFFAOYSA-N 0 1 375.498 3.016 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3cnc(-c4cccs4)s3)CC2)nn1 ZINC000184755374 1430967557 /nfs/dbraw/zinc/96/75/57/1430967557.db2.gz UMXNZTYYUZDDDR-UHFFFAOYSA-N 0 1 389.506 3.087 20 0 GGADMN Cc1cc2c(cc1C)[C@@H](C(=O)NNC(=O)c1ccc(Br)s1)CO2 ZINC000184760470 1430969252 /nfs/dbraw/zinc/96/92/52/1430969252.db2.gz ZXVOFWZVBBQOHC-NSHDSACASA-N 0 1 395.278 3.065 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3ccc(Oc4ccccc4)o3)CC2)nn1 ZINC000184759190 1430969396 /nfs/dbraw/zinc/96/93/96/1430969396.db2.gz HQHCCSDFECSDAN-UHFFFAOYSA-N 0 1 382.420 3.287 20 0 GGADMN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000184761691 1430969689 /nfs/dbraw/zinc/96/96/89/1430969689.db2.gz MMPUUXJZXIZZFZ-XMSQKQJNSA-N 0 1 378.520 3.052 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(COC(C)(C)C)on1 ZINC000184782614 1430975992 /nfs/dbraw/zinc/97/59/92/1430975992.db2.gz XKBZVVNSVUYMJN-UHFFFAOYSA-N 0 1 386.496 3.302 20 0 GGADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)N3CCO[C@@H](C)C3)s2)cc1 ZINC000184785962 1430977051 /nfs/dbraw/zinc/97/70/51/1430977051.db2.gz MEJICYUAXFVZAD-KBPBESRZSA-N 0 1 389.521 3.025 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(OC(F)F)n(C)n4)C3)[nH]c2c1 ZINC000184790909 1430978227 /nfs/dbraw/zinc/97/82/27/1430978227.db2.gz JXDUFGDQINOJOT-LBPRGKRZSA-N 0 1 389.406 3.226 20 0 GGADMN CCCNC(=O)NC(=O)CN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184792052 1430978798 /nfs/dbraw/zinc/97/87/98/1430978798.db2.gz ZQFMVXAZKHINRN-GFCCVEGCSA-N 0 1 390.509 3.014 20 0 GGADMN CSCc1ccccc1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000184791524 1430978886 /nfs/dbraw/zinc/97/88/86/1430978886.db2.gz OADGODRUQFBLOH-UHFFFAOYSA-N 0 1 398.576 3.489 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000184794162 1430979402 /nfs/dbraw/zinc/97/94/02/1430979402.db2.gz YSDKHRHOQPMBGW-UEXGIBASSA-N 0 1 395.503 3.317 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000184794142 1430979612 /nfs/dbraw/zinc/97/96/12/1430979612.db2.gz YSDKHRHOQPMBGW-WAOWUJCRSA-N 0 1 395.503 3.317 20 0 GGADMN CN(C(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc(N2CCOCC2)nc1 ZINC000184796700 1430980194 /nfs/dbraw/zinc/98/01/94/1430980194.db2.gz WDXOTSHZEAPPCW-UHFFFAOYSA-N 0 1 397.866 3.238 20 0 GGADMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000184815142 1430986447 /nfs/dbraw/zinc/98/64/47/1430986447.db2.gz YZUCMJBPEYLRDY-UHFFFAOYSA-N 0 1 375.425 3.107 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC000184828577 1430994016 /nfs/dbraw/zinc/99/40/16/1430994016.db2.gz AUBZTWIYBLSINA-HNNXBMFYSA-N 0 1 396.438 3.376 20 0 GGADMN C[C@H](Oc1cccnc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184828949 1430994120 /nfs/dbraw/zinc/99/41/20/1430994120.db2.gz JNQGZIHSMDKCOB-SUMWQHHRSA-N 0 1 381.398 3.287 20 0 GGADMN CC(C)CCn1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)nn1 ZINC000184829019 1430994267 /nfs/dbraw/zinc/99/42/67/1430994267.db2.gz MWIGCLSRMYKHRY-QGZVFWFLSA-N 0 1 397.445 3.376 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)o1 ZINC000184830242 1430995416 /nfs/dbraw/zinc/99/54/16/1430995416.db2.gz UPBHEZOIVHRVKC-CYBMUJFWSA-N 0 1 384.354 3.118 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000184840264 1430999885 /nfs/dbraw/zinc/99/98/85/1430999885.db2.gz AKNPUJWPVAJFDA-KRWDZBQOSA-N 0 1 393.409 3.098 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1ccc(F)cc1 ZINC000184846836 1431001819 /nfs/dbraw/zinc/00/18/19/1431001819.db2.gz XHTRUDGZVDAZIJ-LJQANCHMSA-N 0 1 388.393 3.322 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC(O)(c2ccccc2)CC1 ZINC000184849781 1431003102 /nfs/dbraw/zinc/00/31/02/1431003102.db2.gz ZOUSRKDNYKMGHM-IBGZPJMESA-N 0 1 383.492 3.110 20 0 GGADMN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(C[S@](C)=O)c1 ZINC000184852823 1431003945 /nfs/dbraw/zinc/00/39/45/1431003945.db2.gz UFTXFGHPOVDIMC-IDISGSTGSA-N 0 1 386.561 3.452 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1)c1cccs1 ZINC000184863219 1431006191 /nfs/dbraw/zinc/00/61/91/1431006191.db2.gz HLCLKQOLRBGPAX-MAUKXSAKSA-N 0 1 381.929 3.211 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1)c1cccs1 ZINC000184863272 1431006347 /nfs/dbraw/zinc/00/63/47/1431006347.db2.gz HLCLKQOLRBGPAX-QAPCUYQASA-N 0 1 381.929 3.211 20 0 GGADMN C[C@@](O)(CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1 ZINC000184864028 1431006709 /nfs/dbraw/zinc/00/67/09/1431006709.db2.gz XRLYHVCUELFNBT-YLJYHZDGSA-N 0 1 391.899 3.277 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1 ZINC000184864010 1431006725 /nfs/dbraw/zinc/00/67/25/1431006725.db2.gz XRLYHVCUELFNBT-PXNSSMCTSA-N 0 1 391.899 3.277 20 0 GGADMN Cc1c([C@H](C)NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cnn1C ZINC000184868429 1431007522 /nfs/dbraw/zinc/00/75/22/1431007522.db2.gz GGCKSZMJAKPUDT-YOEHRIQHSA-N 0 1 393.495 3.164 20 0 GGADMN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCCCc2cn[nH]n2)cc1 ZINC000184877043 1431009746 /nfs/dbraw/zinc/00/97/46/1431009746.db2.gz BVLFISBJAYVQBP-HNNXBMFYSA-N 0 1 386.500 3.269 20 0 GGADMN COC(=O)[C@H](C)Cc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000184876037 1431009846 /nfs/dbraw/zinc/00/98/46/1431009846.db2.gz CPKZUNGSWFELRN-QGZVFWFLSA-N 0 1 395.503 3.218 20 0 GGADMN O=C(NC[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1)Nc1cccc(F)c1 ZINC000184881030 1431011615 /nfs/dbraw/zinc/01/16/15/1431011615.db2.gz DIHOQCXFHQXHAY-CYBMUJFWSA-N 0 1 389.402 3.344 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000184883993 1431012234 /nfs/dbraw/zinc/01/22/34/1431012234.db2.gz WCHXEUMVYHSXJW-IBGZPJMESA-N 0 1 397.485 3.267 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000184885161 1431012331 /nfs/dbraw/zinc/01/23/31/1431012331.db2.gz NONZZYVDJODAEK-SJORKVTESA-N 0 1 384.505 3.089 20 0 GGADMN CC(C)Oc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000184893822 1431014619 /nfs/dbraw/zinc/01/46/19/1431014619.db2.gz RLFDEMYYNBBLQA-UHFFFAOYSA-N 0 1 386.473 3.110 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC(C)(CO)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000184898840 1431016380 /nfs/dbraw/zinc/01/63/80/1431016380.db2.gz NLTGKYIUXTZOJA-CRAIPNDOSA-N 0 1 397.922 3.276 20 0 GGADMN COCCC(C)(C)CNC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000184904380 1431017588 /nfs/dbraw/zinc/01/75/88/1431017588.db2.gz CGPDXIQQWCUYPW-SFHVURJKSA-N 0 1 377.529 3.194 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc(COc2ccccc2F)on1)c1cccs1 ZINC000184904398 1431017777 /nfs/dbraw/zinc/01/77/77/1431017777.db2.gz VSXDPYBGXPMJNM-MRXNPFEDSA-N 0 1 389.452 3.487 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000184905214 1431018068 /nfs/dbraw/zinc/01/80/68/1431018068.db2.gz DVVHSZSUWBGDEW-QGZVFWFLSA-N 0 1 386.517 3.074 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)n[nH]1 ZINC000184909122 1431019133 /nfs/dbraw/zinc/01/91/33/1431019133.db2.gz BDCFJPGCAUWJMA-ZDUSSCGKSA-N 0 1 385.418 3.335 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccccc2Cn2cccn2)cc1 ZINC000184911388 1431019254 /nfs/dbraw/zinc/01/92/54/1431019254.db2.gz VBDMSNDGKXELFH-GOSISDBHSA-N 0 1 383.517 3.192 20 0 GGADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccsc1 ZINC000184911220 1431019359 /nfs/dbraw/zinc/01/93/59/1431019359.db2.gz AKHLBIUPQHTDSW-MRXNPFEDSA-N 0 1 396.534 3.116 20 0 GGADMN CC[C@H]1CN(C(=O)Cc2sc(=S)[nH]c2C)CCN1Cc1ccccc1 ZINC000184913636 1431019831 /nfs/dbraw/zinc/01/98/31/1431019831.db2.gz YGPMMGVJYVOYOP-INIZCTEOSA-N 0 1 375.563 3.406 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CCN1Cc1ccccc1 ZINC000184915480 1431020319 /nfs/dbraw/zinc/02/03/19/1431020319.db2.gz VUADLQDYFYCYNB-LJQANCHMSA-N 0 1 375.476 3.004 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2C)CCN1Cc1ccccc1 ZINC000184917229 1431020854 /nfs/dbraw/zinc/02/08/54/1431020854.db2.gz VAVZDZBNSCHEPZ-HXUWFJFHSA-N 0 1 389.503 3.312 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCN1Cc1ccccc1 ZINC000184917176 1431020870 /nfs/dbraw/zinc/02/08/70/1431020870.db2.gz KLIIRSUMLOYZKB-HXUWFJFHSA-N 0 1 375.476 3.004 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CCN1Cc1ccccc1 ZINC000184920231 1431021363 /nfs/dbraw/zinc/02/13/63/1431021363.db2.gz MPJCVTNXILOINX-GOSISDBHSA-N 0 1 391.471 3.372 20 0 GGADMN O=C(Nc1cc(-c2cccc(Cl)c2)nn1CCO)c1c(O)cccc1F ZINC000184932610 1431025020 /nfs/dbraw/zinc/02/50/20/1431025020.db2.gz VIYUIAJHOWJWOX-UHFFFAOYSA-N 0 1 375.787 3.293 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000184938366 1431026474 /nfs/dbraw/zinc/02/64/74/1431026474.db2.gz NXWLELJKNSLGEK-UHFFFAOYSA-N 0 1 384.867 3.230 20 0 GGADMN CC(C)[C@@H](CNC(=O)C(C)(C)c1cccc(Cl)c1F)N1CC[NH+](C)CC1 ZINC000184945789 1431027574 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3.342 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2ccc(OC)c(O)c2)CCN1Cc1ccccc1 ZINC000184951076 1431028940 /nfs/dbraw/zinc/02/89/40/1431028940.db2.gz MSQRHCIZHDWHLP-IBGZPJMESA-N 0 1 383.492 3.207 20 0 GGADMN COC(=O)CNC(=O)CCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184953378 1431029658 /nfs/dbraw/zinc/02/96/58/1431029658.db2.gz PDTBUNDDSNKXMW-LLVKDONJSA-N 0 1 395.912 3.102 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000184960046 1431031106 /nfs/dbraw/zinc/03/11/06/1431031106.db2.gz LOYRLKHVQIUSCX-ZDUSSCGKSA-N 0 1 392.477 3.227 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000184960046 1431031110 /nfs/dbraw/zinc/03/11/10/1431031110.db2.gz LOYRLKHVQIUSCX-ZDUSSCGKSA-N 0 1 392.477 3.227 20 0 GGADMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184968490 1431033394 /nfs/dbraw/zinc/03/33/94/1431033394.db2.gz RZOZBHGYYMTPLL-UHFFFAOYSA-N 0 1 388.361 3.160 20 0 GGADMN C[C@H](NC(=O)CN[C@H](Cc1ccccc1)c1cccs1)C(=O)N1CCCCC1 ZINC000184972056 1431033815 /nfs/dbraw/zinc/03/38/15/1431033815.db2.gz CJJGNBROIIUHOX-PKOBYXMFSA-N 0 1 399.560 3.139 20 0 GGADMN C[C@@H](NC(=O)CN[C@H](Cc1ccccc1)c1cccs1)C(=O)N1CCCCC1 ZINC000184972077 1431033865 /nfs/dbraw/zinc/03/38/65/1431033865.db2.gz CJJGNBROIIUHOX-IEBWSBKVSA-N 0 1 399.560 3.139 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc(Cn3ccnc3)c2)cc1 ZINC000184987130 1431036725 /nfs/dbraw/zinc/03/67/25/1431036725.db2.gz OQBLFSFJQRLPCR-SFHVURJKSA-N 0 1 383.517 3.192 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1C#N ZINC000185000974 1431039212 /nfs/dbraw/zinc/03/92/12/1431039212.db2.gz MRLYINDBDCWETH-MRXNPFEDSA-N 0 1 389.377 3.481 20 0 GGADMN Cc1cnc([C@@H](C)NCC(=O)Nc2cccc(CN3CCSCC3)c2)s1 ZINC000185005144 1431040452 /nfs/dbraw/zinc/04/04/52/1431040452.db2.gz AEFMATIHFYDFPO-OAHLLOKOSA-N 0 1 390.578 3.290 20 0 GGADMN CC[C@@H]1CN(C(=O)NCC2(SC)CCOCC2)CCN1Cc1ccccc1 ZINC000185014695 1431042382 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Cn1nc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC(F)F ZINC000185054261 1431050394 /nfs/dbraw/zinc/05/03/94/1431050394.db2.gz FECPMYDROZPZME-UHFFFAOYSA-N 0 1 398.841 3.069 20 0 GGADMN C[C@@H](NCCOc1ccccc1C(=O)OC(C)(C)C)c1nnc2ccccn21 ZINC000185061846 1431052058 /nfs/dbraw/zinc/05/20/58/1431052058.db2.gz CQLNWIDJDFIFMJ-OAHLLOKOSA-N 0 1 382.464 3.414 20 0 GGADMN C[C@H](NCCOc1ccccc1C(=O)OC(C)(C)C)c1nnc2ccccn21 ZINC000185061829 1431052191 /nfs/dbraw/zinc/05/21/91/1431052191.db2.gz CQLNWIDJDFIFMJ-HNNXBMFYSA-N 0 1 382.464 3.414 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(F)c1 ZINC000185063564 1431052252 /nfs/dbraw/zinc/05/22/52/1431052252.db2.gz JQMUMGDZXLUEKM-UNMCSNQZSA-N 0 1 383.467 3.269 20 0 GGADMN Cc1ccc(OC(F)F)c(CNCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185075164 1431055010 /nfs/dbraw/zinc/05/50/10/1431055010.db2.gz WZFGUFJGWIBREL-UHFFFAOYSA-N 0 1 381.398 3.257 20 0 GGADMN O=C(CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)NCc1ccco1 ZINC000185087683 1431057293 /nfs/dbraw/zinc/05/72/93/1431057293.db2.gz YKZUCQOLQUKSAM-FQEVSTJZSA-N 0 1 392.434 3.416 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN([C@@H](C)c1ccc(Br)cc1)CC2 ZINC000185091342 1431058591 /nfs/dbraw/zinc/05/85/91/1431058591.db2.gz NAAZICWWQOFDKI-LBPRGKRZSA-N 0 1 381.270 3.294 20 0 GGADMN COc1ccc2oc(CNCc3cccc(N4CCCS4(=O)=O)c3)cc2c1 ZINC000185093799 1431059399 /nfs/dbraw/zinc/05/93/99/1431059399.db2.gz SIYLKIGWEOPIGF-UHFFFAOYSA-N 0 1 386.473 3.271 20 0 GGADMN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185095319 1431059653 /nfs/dbraw/zinc/05/96/53/1431059653.db2.gz AAERRSKIMZWAEA-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(F)c2)no1 ZINC000185096057 1431059886 /nfs/dbraw/zinc/05/98/86/1431059886.db2.gz XABNYIZAKFNGRT-ZDUSSCGKSA-N 0 1 394.406 3.213 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNCc1cccc(N2CCCS2(=O)=O)c1 ZINC000185098493 1431060824 /nfs/dbraw/zinc/06/08/24/1431060824.db2.gz KNSOIVTZVDISGG-UHFFFAOYSA-N 0 1 396.516 3.010 20 0 GGADMN C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(Br)ccc1[O-] ZINC000185099822 1431061166 /nfs/dbraw/zinc/06/11/66/1431061166.db2.gz FEPQBQHTFUPFFG-NSHDSACASA-N 0 1 381.245 3.374 20 0 GGADMN C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(Br)cc1[O-] ZINC000185100372 1431061234 /nfs/dbraw/zinc/06/12/34/1431061234.db2.gz LEIXZOCLTMEXBV-NSHDSACASA-N 0 1 381.245 3.374 20 0 GGADMN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185114212 1431063886 /nfs/dbraw/zinc/06/38/86/1431063886.db2.gz FESLWYSYXVWJGS-UHFFFAOYSA-N 0 1 375.432 3.237 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185125587 1431066962 /nfs/dbraw/zinc/06/69/62/1431066962.db2.gz IGAZOXATURNZJL-GOSISDBHSA-N 0 1 383.496 3.020 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000185127978 1431067520 /nfs/dbraw/zinc/06/75/20/1431067520.db2.gz UUEJLOFSCVQUIF-FZMZJTMJSA-N 0 1 384.245 3.384 20 0 GGADMN Cc1c(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cccc1C(=O)N1CCCC1 ZINC000185137498 1431070089 /nfs/dbraw/zinc/07/00/89/1431070089.db2.gz ZRZRTSOMJFTBAW-UHFFFAOYSA-N 0 1 375.432 3.268 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCSC[C@H]1c1nccs1 ZINC000185138813 1431070392 /nfs/dbraw/zinc/07/03/92/1431070392.db2.gz AYJDHJFOPFLLQW-KRWDZBQOSA-N 0 1 388.562 3.001 20 0 GGADMN CCCCn1cc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)n[nH]2)c(C)n1 ZINC000185148039 1431072327 /nfs/dbraw/zinc/07/23/27/1431072327.db2.gz YKGIVFPPPHVNNL-UHFFFAOYSA-N 0 1 384.440 3.046 20 0 GGADMN CCc1ccc(C(=O)N2CCN(CC3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 ZINC000185157224 1431073878 /nfs/dbraw/zinc/07/38/78/1431073878.db2.gz LMYOPZVCPYHDAW-UHFFFAOYSA-N 0 1 399.579 3.292 20 0 GGADMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cnn(-c2ccccc2)c1 ZINC000185160441 1431074791 /nfs/dbraw/zinc/07/47/91/1431074791.db2.gz ZDKBILMMRWYIJL-UHFFFAOYSA-N 0 1 397.410 3.380 20 0 GGADMN COc1ccc(CCNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1OC(F)F ZINC000185185239 1431079617 /nfs/dbraw/zinc/07/96/17/1431079617.db2.gz XVAIRZLZMKNTDZ-UHFFFAOYSA-N 0 1 388.374 3.054 20 0 GGADMN CCn1cnnc1-c1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185191134 1431081178 /nfs/dbraw/zinc/08/11/78/1431081178.db2.gz IFGDVWQSLILLGY-UHFFFAOYSA-N 0 1 385.424 3.386 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN(CC2CCCCC2)C2CC2)n1 ZINC000185193986 1431081831 /nfs/dbraw/zinc/08/18/31/1431081831.db2.gz PYHUUDYNRDWIJF-UHFFFAOYSA-N 0 1 379.526 3.232 20 0 GGADMN CCCNC(=O)c1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185196129 1431082151 /nfs/dbraw/zinc/08/21/51/1431082151.db2.gz BYCZZKOVBCCNJO-UHFFFAOYSA-N 0 1 375.425 3.248 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185196926 1431082455 /nfs/dbraw/zinc/08/24/55/1431082455.db2.gz QJWKXEOQPYTXOR-UHFFFAOYSA-N 0 1 375.425 3.118 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185198150 1431082466 /nfs/dbraw/zinc/08/24/66/1431082466.db2.gz GECJWTIAHIZJBB-UHFFFAOYSA-N 0 1 387.436 3.308 20 0 GGADMN COc1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1NC(C)=O ZINC000185198359 1431083120 /nfs/dbraw/zinc/08/31/20/1431083120.db2.gz ZALUYMFJPKKZSN-UHFFFAOYSA-N 0 1 377.397 3.075 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC1(CO)CCCC1)N1CCCCC1 ZINC000185201177 1431083224 /nfs/dbraw/zinc/08/32/24/1431083224.db2.gz FXEQTQCKIAROEH-LJQANCHMSA-N 0 1 389.540 3.074 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCSC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000185201447 1431083322 /nfs/dbraw/zinc/08/33/22/1431083322.db2.gz CNCILKYQWCSVFI-CVEARBPZSA-N 0 1 394.541 3.385 20 0 GGADMN COc1ccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)c(C(F)(F)F)c1 ZINC000185224030 1431088870 /nfs/dbraw/zinc/08/88/70/1431088870.db2.gz BTJJQYRCTAJGOX-UHFFFAOYSA-N 0 1 376.338 3.429 20 0 GGADMN COC(=O)Nc1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1F ZINC000185234261 1431090882 /nfs/dbraw/zinc/09/08/82/1431090882.db2.gz XLHRSRRBYMOUSB-UHFFFAOYSA-N 0 1 381.360 3.425 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C)c1nccs1)N1CCCC1 ZINC000185235829 1431090940 /nfs/dbraw/zinc/09/09/40/1431090940.db2.gz XSIIUVXMIBQXIJ-NVXWUHKLSA-N 0 1 388.537 3.392 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)N(C)C)c1 ZINC000185238155 1431091275 /nfs/dbraw/zinc/09/12/75/1431091275.db2.gz JTPGFMXPGFJMDA-CZAAIQMYSA-N 0 1 382.508 3.486 20 0 GGADMN COc1ccc(C[C@H](C)CN2CCN(Cc3nc(C)c(C)o3)CC2)cc1F ZINC000185245727 1431093017 /nfs/dbraw/zinc/09/30/17/1431093017.db2.gz MHTSXGDVWRXBBC-HNNXBMFYSA-N 0 1 375.488 3.436 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC000185250044 1431093632 /nfs/dbraw/zinc/09/36/32/1431093632.db2.gz PFDRUXKNCYTAQE-MRXNPFEDSA-N 0 1 387.911 3.435 20 0 GGADMN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1c[nH]c2cccc(F)c21 ZINC000185252835 1431094212 /nfs/dbraw/zinc/09/42/12/1431094212.db2.gz NNBFACIXMZLLFK-AWEZNQCLSA-N 0 1 376.409 3.276 20 0 GGADMN C[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000185274325 1431098092 /nfs/dbraw/zinc/09/80/92/1431098092.db2.gz CPOCCNOVOIMLQH-MRXNPFEDSA-N 0 1 398.482 3.035 20 0 GGADMN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185276921 1431098601 /nfs/dbraw/zinc/09/86/01/1431098601.db2.gz USXBIOMMJWVNSW-LBPRGKRZSA-N 0 1 397.884 3.349 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)cc12 ZINC000185285300 1431099665 /nfs/dbraw/zinc/09/96/65/1431099665.db2.gz HJTVDBWFYZLSGK-AZUAARDMSA-N 0 1 377.444 3.241 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000185296972 1431103520 /nfs/dbraw/zinc/10/35/20/1431103520.db2.gz ROPDWAYKZTZDQB-IBGZPJMESA-N 0 1 390.480 3.369 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cnn(-c2ccccc2)c1COC)c1ccco1 ZINC000185297446 1431103583 /nfs/dbraw/zinc/10/35/83/1431103583.db2.gz CXWVDOKBSXNSKE-LJQANCHMSA-N 0 1 396.491 3.425 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1COC)c1ccco1 ZINC000185297428 1431103672 /nfs/dbraw/zinc/10/36/72/1431103672.db2.gz CXWVDOKBSXNSKE-IBGZPJMESA-N 0 1 396.491 3.425 20 0 GGADMN COC(=O)[C@@H](C)Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185298963 1431104005 /nfs/dbraw/zinc/10/40/05/1431104005.db2.gz ASSKCLHFJXETOT-LBPRGKRZSA-N 0 1 390.436 3.459 20 0 GGADMN COC(=O)[C@H](C)Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185298978 1431104242 /nfs/dbraw/zinc/10/42/42/1431104242.db2.gz ASSKCLHFJXETOT-GFCCVEGCSA-N 0 1 390.436 3.459 20 0 GGADMN CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(-c4nnc[nH]4)cc3)n2)CCC1 ZINC000185302790 1431106408 /nfs/dbraw/zinc/10/64/08/1431106408.db2.gz YXIXRYLIDXSBKD-UHFFFAOYSA-N 0 1 382.424 3.426 20 0 GGADMN Cc1ccccc1C(C)(C)CNC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185313976 1431110651 /nfs/dbraw/zinc/11/06/51/1431110651.db2.gz VOIGOPCPRDKLLP-UHFFFAOYSA-N 0 1 393.491 3.469 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185324572 1431114881 /nfs/dbraw/zinc/11/48/81/1431114881.db2.gz UKWKMMRYFTVDDQ-OAHLLOKOSA-N 0 1 380.460 3.205 20 0 GGADMN C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000185327806 1431115643 /nfs/dbraw/zinc/11/56/43/1431115643.db2.gz PLDRXIPDPDIPMO-SFHVURJKSA-N 0 1 393.597 3.039 20 0 GGADMN CC[C@H]1CN(C(=O)C[C@H]2OC(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000185334377 1431117810 /nfs/dbraw/zinc/11/78/10/1431117810.db2.gz FUPPQMPTNIWFOV-GHTZIAJQSA-N 0 1 378.472 3.411 20 0 GGADMN CC[C@@H]1CN(C(=O)C[C@H]2OC(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000185334362 1431117957 /nfs/dbraw/zinc/11/79/57/1431117957.db2.gz FUPPQMPTNIWFOV-WIYYLYMNSA-N 0 1 378.472 3.411 20 0 GGADMN CCCc1noc(CCCC(=O)N2CCN(Cc3ccccc3)[C@H](CC)C2)n1 ZINC000185333992 1431118006 /nfs/dbraw/zinc/11/80/06/1431118006.db2.gz PHURAMUBYDEOPG-LJQANCHMSA-N 0 1 384.524 3.468 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)CCN1Cc1ccccc1 ZINC000185336817 1431118612 /nfs/dbraw/zinc/11/86/12/1431118612.db2.gz WEBZHTQJMNERGR-OAQYLSRUSA-N 0 1 389.503 3.063 20 0 GGADMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1N(C)C ZINC000185341711 1431120333 /nfs/dbraw/zinc/12/03/33/1431120333.db2.gz MIQUDFXXQXFLRU-DYESRHJHSA-N 0 1 399.510 3.012 20 0 GGADMN CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1OC ZINC000185345912 1431121582 /nfs/dbraw/zinc/12/15/82/1431121582.db2.gz IEOLUKZLRLHEGZ-LEWJYISDSA-N 0 1 382.504 3.206 20 0 GGADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2n1 ZINC000185348290 1431121814 /nfs/dbraw/zinc/12/18/14/1431121814.db2.gz IQNPBFBLWHKZGI-MBSDFSHPSA-N 0 1 389.499 3.356 20 0 GGADMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cnc2ccsc2c1 ZINC000185348267 1431121817 /nfs/dbraw/zinc/12/18/17/1431121817.db2.gz XBFPLYRFIFGYBP-OXQOHEQNSA-N 0 1 395.528 3.417 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)CCN1Cc1ccccc1 ZINC000185350782 1431123141 /nfs/dbraw/zinc/12/31/41/1431123141.db2.gz AXRKFFKTPCJMCC-SFHVURJKSA-N 0 1 377.492 3.013 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)CCN1Cc1ccccc1 ZINC000185350762 1431123197 /nfs/dbraw/zinc/12/31/97/1431123197.db2.gz AXRKFFKTPCJMCC-GOSISDBHSA-N 0 1 377.492 3.013 20 0 GGADMN CCc1nc(C)c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)s1 ZINC000185351774 1431123299 /nfs/dbraw/zinc/12/32/99/1431123299.db2.gz CQHJLYQLKZAAFR-QAPCUYQASA-N 0 1 387.549 3.135 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000185355135 1431124555 /nfs/dbraw/zinc/12/45/55/1431124555.db2.gz VZPCIRICXAMXLR-OAQYLSRUSA-N 0 1 391.515 3.332 20 0 GGADMN CC[C@@H]1CN(C(=O)CCC2CCN(C(C)=O)CC2)CCN1Cc1ccccc1 ZINC000185360671 1431125801 /nfs/dbraw/zinc/12/58/01/1431125801.db2.gz HFMFUBLNBBDIIH-JOCHJYFZSA-N 0 1 385.552 3.148 20 0 GGADMN CN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360333 1431125898 /nfs/dbraw/zinc/12/58/98/1431125898.db2.gz OALOERVXGQQDQI-CABCVRRESA-N 0 1 393.837 3.042 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CCN1Cc1ccccc1 ZINC000185359120 1431125985 /nfs/dbraw/zinc/12/59/85/1431125985.db2.gz FXTITDNEYNWGPO-JOCHJYFZSA-N 0 1 391.515 3.332 20 0 GGADMN CN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360354 1431126015 /nfs/dbraw/zinc/12/60/15/1431126015.db2.gz OALOERVXGQQDQI-HUUCEWRRSA-N 0 1 393.837 3.042 20 0 GGADMN Cc1ccc(C[C@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c(C)c1 ZINC000185369529 1431127923 /nfs/dbraw/zinc/12/79/23/1431127923.db2.gz YJWPGVPNXHHMSR-KRWDZBQOSA-N 0 1 393.491 3.431 20 0 GGADMN Cc1nc(C)c(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)o1 ZINC000185380374 1431130629 /nfs/dbraw/zinc/13/06/29/1431130629.db2.gz FJDAMKFUJPNTEE-UHFFFAOYSA-N 0 1 391.225 3.120 20 0 GGADMN Cc1nc(C)c(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)o1 ZINC000185380374 1431130634 /nfs/dbraw/zinc/13/06/34/1431130634.db2.gz FJDAMKFUJPNTEE-UHFFFAOYSA-N 0 1 391.225 3.120 20 0 GGADMN O=C(CCc1ccoc1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185383687 1431132289 /nfs/dbraw/zinc/13/22/89/1431132289.db2.gz SJQHXUNEAQYHJY-UHFFFAOYSA-N 0 1 390.237 3.427 20 0 GGADMN O=C(CCc1ccoc1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185383687 1431132295 /nfs/dbraw/zinc/13/22/95/1431132295.db2.gz SJQHXUNEAQYHJY-UHFFFAOYSA-N 0 1 390.237 3.427 20 0 GGADMN CC(C)(C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1F ZINC000185385514 1431132841 /nfs/dbraw/zinc/13/28/41/1431132841.db2.gz CCFUZUGSNVDVOR-HNNXBMFYSA-N 0 1 382.907 3.328 20 0 GGADMN Cc1c(-c2cc(CN3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)on2)cnn1C ZINC000185390462 1431133995 /nfs/dbraw/zinc/13/39/95/1431133995.db2.gz LGPIYUCUYCNBKQ-ZDUSSCGKSA-N 0 1 394.401 3.436 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN(C)[C@@H](C)C[S@](C)=O)c2ccccc2)cc1 ZINC000185400906 1431137099 /nfs/dbraw/zinc/13/70/99/1431137099.db2.gz DGEFVWJSUCEQRX-VCOBNDOXSA-N 0 1 389.561 3.161 20 0 GGADMN O=C(NCCOc1ccccc1C(F)(F)F)c1ccc(-c2nnc[nH]2)cc1 ZINC000185415656 1431140003 /nfs/dbraw/zinc/14/00/03/1431140003.db2.gz DNCPZMMXCFSWNH-UHFFFAOYSA-N 0 1 376.338 3.299 20 0 GGADMN COC(=O)c1cccc(OCCN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000185418160 1431141388 /nfs/dbraw/zinc/14/13/88/1431141388.db2.gz PREOFKXQWODNES-FQEVSTJZSA-N 0 1 383.423 3.104 20 0 GGADMN CCc1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n(C)n1 ZINC000185423115 1431142291 /nfs/dbraw/zinc/14/22/91/1431142291.db2.gz IPXGKCYKPKGODK-OAHLLOKOSA-N 0 1 383.418 3.426 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185427182 1431143115 /nfs/dbraw/zinc/14/31/15/1431143115.db2.gz PLHWLAGKRUYJML-SIKLNZKXSA-N 0 1 399.466 3.077 20 0 GGADMN CCOc1ccc(OC[C@H](O)CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185427119 1431143443 /nfs/dbraw/zinc/14/34/43/1431143443.db2.gz PLHWLAGKRUYJML-KNQAVFIVSA-N 0 1 399.466 3.077 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)[nH]1 ZINC000185428800 1431143910 /nfs/dbraw/zinc/14/39/10/1431143910.db2.gz AFFLUGJEJKANHV-OAHLLOKOSA-N 0 1 393.447 3.410 20 0 GGADMN COCCn1c2ccccc2nc1NC(=O)c1cn[nH]c1-c1ccc(OC)cc1 ZINC000185433412 1431144725 /nfs/dbraw/zinc/14/47/25/1431144725.db2.gz MDJYZEUSNDBPQT-UHFFFAOYSA-N 0 1 391.431 3.334 20 0 GGADMN COC(=O)c1ccccc1OCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185433478 1431144765 /nfs/dbraw/zinc/14/47/65/1431144765.db2.gz DSYYGKGUJXMYSI-FQEVSTJZSA-N 0 1 383.423 3.104 20 0 GGADMN COCC1=CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000185435503 1431145283 /nfs/dbraw/zinc/14/52/83/1431145283.db2.gz LSXAHWHYNVDQOT-GOSISDBHSA-N 0 1 397.441 3.268 20 0 GGADMN COCC1=CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000185435524 1431145462 /nfs/dbraw/zinc/14/54/62/1431145462.db2.gz LSXAHWHYNVDQOT-SFHVURJKSA-N 0 1 397.441 3.268 20 0 GGADMN C[C@H](c1ccsc1)N1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000185440163 1431145835 /nfs/dbraw/zinc/14/58/35/1431145835.db2.gz BFIJYYKXOQDIPC-CQSZACIVSA-N 0 1 376.501 3.177 20 0 GGADMN Cc1cccc(C)c1OC[C@H](O)CN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185439166 1431145907 /nfs/dbraw/zinc/14/59/07/1431145907.db2.gz NYLJKDNFAVRSCA-RTWAWAEBSA-N 0 1 383.467 3.295 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NNc3c(F)cccc3Cl)n2)cc1 ZINC000185444305 1431146923 /nfs/dbraw/zinc/14/69/23/1431146923.db2.gz HXHPVSBOFVSKSE-UHFFFAOYSA-N 0 1 390.806 3.099 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NNc3c(F)cccc3Cl)n[nH]2)cc1 ZINC000185444305 1431146925 /nfs/dbraw/zinc/14/69/25/1431146925.db2.gz HXHPVSBOFVSKSE-UHFFFAOYSA-N 0 1 390.806 3.099 20 0 GGADMN Cc1cc2ncn(C[C@@H](O)CN3CCN([C@@H](C)c4ccsc4)CC3)c2cc1C ZINC000185446799 1431147362 /nfs/dbraw/zinc/14/73/62/1431147362.db2.gz ZRYWHYLCGYHSJV-ICSRJNTNSA-N 0 1 398.576 3.454 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCc2c1cccc2C(F)(F)F ZINC000185450422 1431148378 /nfs/dbraw/zinc/14/83/78/1431148378.db2.gz SRQKOPWQZSKCMS-UHFFFAOYSA-N 0 1 391.374 3.434 20 0 GGADMN COc1cccc(COC[C@H](O)CN2CCN([C@H](C)c3ccsc3)CC2)c1 ZINC000185449840 1431148631 /nfs/dbraw/zinc/14/86/31/1431148631.db2.gz CVHFMRFTQRCJQX-YLJYHZDGSA-N 0 1 390.549 3.013 20 0 GGADMN C[C@H](CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)Cc1cccs1 ZINC000185462449 1431150291 /nfs/dbraw/zinc/15/02/91/1431150291.db2.gz QIXAJPCYDHUHPR-AWEZNQCLSA-N 0 1 385.493 3.123 20 0 GGADMN C[C@@H](c1ccsc1)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000185461100 1431150386 /nfs/dbraw/zinc/15/03/86/1431150386.db2.gz WQJSWTWFUKQZAL-HNNXBMFYSA-N 0 1 387.505 3.184 20 0 GGADMN CCc1ncc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cn1 ZINC000185461312 1431150401 /nfs/dbraw/zinc/15/04/01/1431150401.db2.gz RKTFSPGCMYRUTJ-HNNXBMFYSA-N 0 1 381.402 3.482 20 0 GGADMN C[C@@H](CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)Cc1cccs1 ZINC000185462467 1431150572 /nfs/dbraw/zinc/15/05/72/1431150572.db2.gz QIXAJPCYDHUHPR-CQSZACIVSA-N 0 1 385.493 3.123 20 0 GGADMN C[C@@H](c1ccsc1)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000185463576 1431150888 /nfs/dbraw/zinc/15/08/88/1431150888.db2.gz PHSUURHSKMPGHG-LPHOPBHVSA-N 0 1 378.513 3.144 20 0 GGADMN Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185471381 1431152560 /nfs/dbraw/zinc/15/25/60/1431152560.db2.gz VAOURJGXGYUEKR-KRWDZBQOSA-N 0 1 393.491 3.431 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nc2ccccn2n1)c1cccc(C(F)(F)F)c1 ZINC000185477348 1431153783 /nfs/dbraw/zinc/15/37/83/1431153783.db2.gz XTECFMSKKXMVDV-CQSZACIVSA-N 0 1 392.385 3.173 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185481192 1431154659 /nfs/dbraw/zinc/15/46/59/1431154659.db2.gz KHFWWMOYIVZXRH-FXAWDEMLSA-N 0 1 390.549 3.013 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185481157 1431154727 /nfs/dbraw/zinc/15/47/27/1431154727.db2.gz KHFWWMOYIVZXRH-PXNSSMCTSA-N 0 1 390.549 3.013 20 0 GGADMN COc1ccccc1COC[C@@H](O)CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000185481175 1431154746 /nfs/dbraw/zinc/15/47/46/1431154746.db2.gz KHFWWMOYIVZXRH-XLIONFOSSA-N 0 1 390.549 3.013 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000185488340 1431156112 /nfs/dbraw/zinc/15/61/12/1431156112.db2.gz NCJMALCEJHEOBX-AWEZNQCLSA-N 0 1 389.459 3.008 20 0 GGADMN Cn1nc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1OC(F)F ZINC000185491003 1431156309 /nfs/dbraw/zinc/15/63/09/1431156309.db2.gz WXKQFZYLIBFXMJ-CYBMUJFWSA-N 0 1 377.351 3.002 20 0 GGADMN C[C@@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)N1CCc2ccccc2C1 ZINC000185496508 1431157789 /nfs/dbraw/zinc/15/77/89/1431157789.db2.gz MUKSBFJLTVZBBD-MHECFPHRSA-N 0 1 391.515 3.274 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000185501275 1431159202 /nfs/dbraw/zinc/15/92/02/1431159202.db2.gz CGNCZMJWQYKURN-AZUAARDMSA-N 0 1 393.890 3.289 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)c1ccccc1OC)c1cccc(OC)c1 ZINC000185508402 1431160849 /nfs/dbraw/zinc/16/08/49/1431160849.db2.gz IZUFSRULTNOYJA-IBGZPJMESA-N 0 1 384.476 3.086 20 0 GGADMN COC(=O)c1ccc(OCCN2CCC(O)(c3ccccc3)CC2)c(Cl)c1 ZINC000185516809 1431162937 /nfs/dbraw/zinc/16/29/37/1431162937.db2.gz CIUASHCQRXKZQH-UHFFFAOYSA-N 0 1 389.879 3.489 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000185534019 1431166274 /nfs/dbraw/zinc/16/62/74/1431166274.db2.gz DNXQVBFNSOFKQI-CRAIPNDOSA-N 0 1 396.553 3.050 20 0 GGADMN Cn1nccc1CC/N=C/c1cc(Br)cc(Br)c1O ZINC000185554027 1431169700 /nfs/dbraw/zinc/16/97/00/1431169700.db2.gz COSQEQNUAPPKRZ-LZYBPNLTSA-N 0 1 387.075 3.312 20 0 GGADMN C[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccccc21 ZINC000185574294 1431173588 /nfs/dbraw/zinc/17/35/88/1431173588.db2.gz WVALNEYRVLUIAS-WBMJQRKESA-N 0 1 389.381 3.335 20 0 GGADMN COCc1c(C(=O)N2CCN(C3CCC(C)CC3)CC2)cnn1-c1ccccc1 ZINC000185581628 1431175919 /nfs/dbraw/zinc/17/59/19/1431175919.db2.gz VSYUCOLUEUKLBJ-UHFFFAOYSA-N 0 1 396.535 3.355 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000185583529 1431176627 /nfs/dbraw/zinc/17/66/27/1431176627.db2.gz NYKXXZSKXNGPCD-SFHVURJKSA-N 0 1 393.528 3.005 20 0 GGADMN Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000185591709 1431178657 /nfs/dbraw/zinc/17/86/57/1431178657.db2.gz VVJVJKGBGQSAKV-KRWDZBQOSA-N 0 1 393.409 3.371 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000185592082 1431178697 /nfs/dbraw/zinc/17/86/97/1431178697.db2.gz VKGUOJHWLSIZJX-MRXNPFEDSA-N 0 1 379.382 3.063 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000185591810 1431178739 /nfs/dbraw/zinc/17/87/39/1431178739.db2.gz VYYJRTGEBHVCKL-INIZCTEOSA-N 0 1 397.372 3.202 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000185592109 1431178897 /nfs/dbraw/zinc/17/88/97/1431178897.db2.gz FLJLWBCLDHTPLB-INIZCTEOSA-N 0 1 397.372 3.202 20 0 GGADMN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000185594770 1431179837 /nfs/dbraw/zinc/17/98/37/1431179837.db2.gz XAJJTHDUCXRTFD-IFMALSPDSA-N 0 1 385.552 3.452 20 0 GGADMN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000185594787 1431179862 /nfs/dbraw/zinc/17/98/62/1431179862.db2.gz XAJJTHDUCXRTFD-UNMCSNQZSA-N 0 1 385.552 3.452 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C(C)C)C2)CC1 ZINC000185602148 1431181298 /nfs/dbraw/zinc/18/12/98/1431181298.db2.gz XKYJAIDPMCZGJJ-XPNTWCBSSA-N 0 1 398.595 3.368 20 0 GGADMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000185617258 1431185137 /nfs/dbraw/zinc/18/51/37/1431185137.db2.gz QIVCGKAFUONCQC-UHFFFAOYSA-N 0 1 377.441 3.351 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1N(C)C ZINC000185617234 1431185248 /nfs/dbraw/zinc/18/52/48/1431185248.db2.gz BXQWSNPWQRLBMU-UHFFFAOYSA-N 0 1 386.433 3.318 20 0 GGADMN CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000185624066 1431187250 /nfs/dbraw/zinc/18/72/50/1431187250.db2.gz PBKNKUBTYUDJBW-UHFFFAOYSA-N 0 1 384.461 3.047 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185638953 1431191685 /nfs/dbraw/zinc/19/16/85/1431191685.db2.gz HGUKBYSYUUCIRD-LLVKDONJSA-N 0 1 384.402 3.360 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000185638971 1431191790 /nfs/dbraw/zinc/19/17/90/1431191790.db2.gz HGUKBYSYUUCIRD-NSHDSACASA-N 0 1 384.402 3.360 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1 ZINC000185638870 1431191979 /nfs/dbraw/zinc/19/19/79/1431191979.db2.gz GLPUMUOKNIHHLT-UHFFFAOYSA-N 0 1 379.445 3.140 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)NCc1ccc(C)cc1 ZINC000185641511 1431192242 /nfs/dbraw/zinc/19/22/42/1431192242.db2.gz AOGISRWRLJUTSQ-ZDUSSCGKSA-N 0 1 382.430 3.338 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185640308 1431192560 /nfs/dbraw/zinc/19/25/60/1431192560.db2.gz PUDQENKHWRUOHL-GFCCVEGCSA-N 0 1 398.429 3.038 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)C(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000185642392 1431193081 /nfs/dbraw/zinc/19/30/81/1431193081.db2.gz FOKANHNUTNIPSM-YOEHRIQHSA-N 0 1 397.441 3.202 20 0 GGADMN CC[C@@H]1[C@H](C)CCN1Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000185642709 1431193102 /nfs/dbraw/zinc/19/31/02/1431193102.db2.gz CRLVIAIHHQTUQI-RDTXWAMCSA-N 0 1 378.542 3.214 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000185645117 1431194156 /nfs/dbraw/zinc/19/41/56/1431194156.db2.gz UHBGDPOEMDLFBY-CQSZACIVSA-N 0 1 390.867 3.490 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000185651042 1431195901 /nfs/dbraw/zinc/19/59/01/1431195901.db2.gz DIERXTQZXYTEIS-CABCVRRESA-N 0 1 388.439 3.364 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000185651069 1431195946 /nfs/dbraw/zinc/19/59/46/1431195946.db2.gz JJWKLFLQKRRDAL-LSDHHAIUSA-N 0 1 388.439 3.364 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)N1CCc2ccccc21 ZINC000185652941 1431196545 /nfs/dbraw/zinc/19/65/45/1431196545.db2.gz MYBCSIYWSRLZBE-LBPRGKRZSA-N 0 1 380.414 3.302 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)NCc1ccccc1F ZINC000185653197 1431196688 /nfs/dbraw/zinc/19/66/88/1431196688.db2.gz DUVBCUHLQSAIDA-LLVKDONJSA-N 0 1 386.393 3.168 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000185654945 1431197001 /nfs/dbraw/zinc/19/70/01/1431197001.db2.gz LYOXJUPTBWDNQC-ZDUSSCGKSA-N 0 1 376.840 3.181 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1ccc(Cl)cn1 ZINC000185656599 1431197579 /nfs/dbraw/zinc/19/75/79/1431197579.db2.gz FQSCGFIMDNGGPZ-VIFPVBQESA-N 0 1 389.809 3.400 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000185660402 1431198794 /nfs/dbraw/zinc/19/87/94/1431198794.db2.gz CHEQHIKVTVKYAP-STQMWFEESA-N 0 1 392.402 3.194 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000185660716 1431199334 /nfs/dbraw/zinc/19/93/34/1431199334.db2.gz KAGWCDNKASXFHO-HNNXBMFYSA-N 0 1 384.542 3.050 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC1(CO)CCCC1)c1cccc(C(F)(F)F)c1 ZINC000185661528 1431199384 /nfs/dbraw/zinc/19/93/84/1431199384.db2.gz BHRXOERRZGSWNJ-MRXNPFEDSA-N 0 1 387.446 3.160 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000185665102 1431200052 /nfs/dbraw/zinc/20/00/52/1431200052.db2.gz MHNXNEBOASFHCV-CQSZACIVSA-N 0 1 390.867 3.490 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000185665171 1431200240 /nfs/dbraw/zinc/20/02/40/1431200240.db2.gz KBGNYUPJXUUGAI-QWHCGFSZSA-N 0 1 392.402 3.194 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN([C@H](C)c4nccs4)CC3)n[nH]2)cc1 ZINC000185666762 1431200868 /nfs/dbraw/zinc/20/08/68/1431200868.db2.gz DQUCRJLYYPHZFJ-OAHLLOKOSA-N 0 1 381.505 3.361 20 0 GGADMN CC[C@@H]1[C@H](C)CCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000185673576 1431202497 /nfs/dbraw/zinc/20/24/97/1431202497.db2.gz MAYMNVXPEHLWJH-XNRPHZJLSA-N 0 1 383.414 3.413 20 0 GGADMN CN(C)c1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000185675886 1431202736 /nfs/dbraw/zinc/20/27/36/1431202736.db2.gz CTYLJDANIKNUKX-UHFFFAOYSA-N 0 1 383.839 3.421 20 0 GGADMN O=C(NCc1ccc(C(F)F)cc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000185696105 1431208838 /nfs/dbraw/zinc/20/88/38/1431208838.db2.gz VMABPTIEOYDGBI-MOPGFXCFSA-N 0 1 389.446 3.059 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000185698196 1431209354 /nfs/dbraw/zinc/20/93/54/1431209354.db2.gz QKZBFWLUFPSKCB-ZDUSSCGKSA-N 0 1 385.468 3.191 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000185705139 1431210925 /nfs/dbraw/zinc/21/09/25/1431210925.db2.gz NXASDHWOSJCVDT-UHFFFAOYSA-N 0 1 393.495 3.065 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccc(F)cc1 ZINC000185730557 1431218073 /nfs/dbraw/zinc/21/80/73/1431218073.db2.gz BPEOLZLEJUHWKA-IRLDBZIGSA-N 0 1 383.467 3.269 20 0 GGADMN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1cn(Cc2cccnc2)nn1 ZINC000185736104 1431218958 /nfs/dbraw/zinc/21/89/58/1431218958.db2.gz PRBQIRJPPYIGMS-LEWJYISDSA-N 0 1 377.492 3.195 20 0 GGADMN CN1CC[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185744099 1431221538 /nfs/dbraw/zinc/22/15/38/1431221538.db2.gz WSPVPNRJBAXBDK-LIRZEXBASA-N 0 1 383.895 3.075 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185753135 1431224895 /nfs/dbraw/zinc/22/48/95/1431224895.db2.gz BBZXEFRJHSKOBF-OAHLLOKOSA-N 0 1 399.401 3.082 20 0 GGADMN CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000185755119 1431225686 /nfs/dbraw/zinc/22/56/86/1431225686.db2.gz IATVUPCKWGJYTI-UHFFFAOYSA-N 0 1 379.420 3.359 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185754620 1431225739 /nfs/dbraw/zinc/22/57/39/1431225739.db2.gz URSLZLLNRWHQDA-KGLIPLIRSA-N 0 1 391.393 3.007 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN([C@@H](C)c4nccs4)CC3)n[nH]2)cc1 ZINC000185759791 1431227648 /nfs/dbraw/zinc/22/76/48/1431227648.db2.gz AAJBQMPQRMSBFE-AWEZNQCLSA-N 0 1 397.504 3.061 20 0 GGADMN Cc1coc2ccc(NC(=O)c3nc(C)n(-c4nnc(C(F)(F)F)[nH]4)n3)cc12 ZINC000185771258 1431230674 /nfs/dbraw/zinc/23/06/74/1431230674.db2.gz XCBGPBNSJLBBOE-UHFFFAOYSA-N 0 1 391.313 3.020 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000185774801 1431231993 /nfs/dbraw/zinc/23/19/93/1431231993.db2.gz KLUSGWWWEIEPCJ-CQSZACIVSA-N 0 1 393.285 3.160 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)OC(C)C ZINC000185777140 1431232686 /nfs/dbraw/zinc/23/26/86/1431232686.db2.gz HNXYHGQBSOOYCP-XLIONFOSSA-N 0 1 375.513 3.041 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000185783732 1431234841 /nfs/dbraw/zinc/23/48/41/1431234841.db2.gz RCXSOXACRIPLGE-LBPRGKRZSA-N 0 1 393.228 3.371 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000185783755 1431234931 /nfs/dbraw/zinc/23/49/31/1431234931.db2.gz RCXSOXACRIPLGE-GFCCVEGCSA-N 0 1 393.228 3.371 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000185784346 1431235420 /nfs/dbraw/zinc/23/54/20/1431235420.db2.gz QHCRSBOTQHQKLG-IAGOWNOFSA-N 0 1 382.888 3.218 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000185784307 1431235528 /nfs/dbraw/zinc/23/55/28/1431235528.db2.gz QHCRSBOTQHQKLG-SJORKVTESA-N 0 1 382.888 3.218 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 ZINC000185789824 1431236748 /nfs/dbraw/zinc/23/67/48/1431236748.db2.gz CCCSARQIGZEJDE-QFIPXVFZSA-N 0 1 399.579 3.224 20 0 GGADMN CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000185822500 1431244276 /nfs/dbraw/zinc/24/42/76/1431244276.db2.gz CDQYNMIJNXLLOG-UHFFFAOYSA-N 0 1 385.468 3.037 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000185823347 1431244705 /nfs/dbraw/zinc/24/47/05/1431244705.db2.gz JMQIJTJQXVIZAH-HOTGVXAUSA-N 0 1 389.462 3.404 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)NCC1(Cc2ccccc2)CCCCC1 ZINC000185827110 1431245344 /nfs/dbraw/zinc/24/53/44/1431245344.db2.gz JAGXSHXYXHUCQC-HXUWFJFHSA-N 0 1 386.584 3.115 20 0 GGADMN CC(=O)N[C@@H]1CCCN(C(=O)CNC(c2ccccc2C)c2ccccc2C)C1 ZINC000185855557 1431253139 /nfs/dbraw/zinc/25/31/39/1431253139.db2.gz 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CN(Cc1nnc[nH]1)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000186366382 1431393141 /nfs/dbraw/zinc/39/31/41/1431393141.db2.gz DLAMWTRVBIERGH-UHFFFAOYSA-N 0 1 390.875 3.185 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000186376237 1431395552 /nfs/dbraw/zinc/39/55/52/1431395552.db2.gz PGXSQDFZQMEGCY-NRGCRIOASA-N 0 1 381.538 3.069 20 0 GGADMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000186387578 1431398269 /nfs/dbraw/zinc/39/82/69/1431398269.db2.gz DKCMBPYWQPODFF-UHFFFAOYSA-N 0 1 399.226 3.194 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NCc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000186392239 1431399434 /nfs/dbraw/zinc/39/94/34/1431399434.db2.gz YXPUWJLNNWLCAZ-GFCCVEGCSA-N 0 1 378.860 3.347 20 0 GGADMN COC(=O)N1CCC([C@H](C)NCc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000186405075 1431404614 /nfs/dbraw/zinc/40/46/14/1431404614.db2.gz QRSBFMAPEIWKRD-LBPRGKRZSA-N 0 1 378.860 3.347 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000186422470 1431413566 /nfs/dbraw/zinc/41/35/66/1431413566.db2.gz ZPOKLQZTYZHLBK-HXUWFJFHSA-N 0 1 379.460 3.087 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000186423809 1431414029 /nfs/dbraw/zinc/41/40/29/1431414029.db2.gz ZEOMPAGUABRASL-DLBZAZTESA-N 0 1 389.421 3.383 20 0 GGADMN CCc1noc(C2CCC([NH2+]Cc3nnc(COc4ccccc4)[n-]3)CC2)n1 ZINC000186428164 1431416014 /nfs/dbraw/zinc/41/60/14/1431416014.db2.gz MTPVBEAVLSINLW-UHFFFAOYSA-N 0 1 382.468 3.145 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1n[nH]c(COc3ccccc3)n1)CCCO2 ZINC000186431671 1431417493 /nfs/dbraw/zinc/41/74/93/1431417493.db2.gz CPCXJFWVMOEZNP-SFHVURJKSA-N 0 1 380.448 3.396 20 0 GGADMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1cnn(Cc2ccccc2)c1 ZINC000186436211 1431419483 /nfs/dbraw/zinc/41/94/83/1431419483.db2.gz KENBOQLPUQEJND-QGZVFWFLSA-N 0 1 388.475 3.479 20 0 GGADMN C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(Cl)c(Cl)c1O ZINC000186444557 1431421242 /nfs/dbraw/zinc/42/12/42/1431421242.db2.gz UVXTXQGFMYWFET-SNVBAGLBSA-N 0 1 396.274 3.477 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2Cc2ccccc2)C12CCOCC2 ZINC000186456432 1431424329 /nfs/dbraw/zinc/42/43/29/1431424329.db2.gz FGUIYXJTMHEIQZ-PWRODBHTSA-N 0 1 386.536 3.132 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(-c2cncnc2)cc1F ZINC000186487524 1431434413 /nfs/dbraw/zinc/43/44/13/1431434413.db2.gz FJWMFJDFNXAKNA-UHFFFAOYSA-N 0 1 391.450 3.072 20 0 GGADMN Cc1c([C@H](C)NCCc2nn(C)c3ccccc23)nnn1-c1ccc(F)cc1 ZINC000186490803 1431435000 /nfs/dbraw/zinc/43/50/00/1431435000.db2.gz DCBIBPAJRXOVMG-AWEZNQCLSA-N 0 1 378.455 3.495 20 0 GGADMN COc1cccc([C@H](O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000186515796 1431443612 /nfs/dbraw/zinc/44/36/12/1431443612.db2.gz GLPUIPBPGIELSQ-CYBMUJFWSA-N 0 1 377.853 3.264 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)OC(C)C ZINC000186526824 1431446229 /nfs/dbraw/zinc/44/62/29/1431446229.db2.gz TXCMKQIDOPWHEW-LJQANCHMSA-N 0 1 380.448 3.376 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nnc[nH]2)cc1)OC(C)C ZINC000186524847 1431446329 /nfs/dbraw/zinc/44/63/29/1431446329.db2.gz XBQKLUGRAZRJIT-LJQANCHMSA-N 0 1 380.448 3.376 20 0 GGADMN C[C@](O)(CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000186549786 1431451472 /nfs/dbraw/zinc/45/14/72/1431451472.db2.gz ADGYOVYRXZKRIA-SFHVURJKSA-N 0 1 396.274 3.235 20 0 GGADMN CC(=O)c1cccc(OC[C@@H](O)CNC(C)(C)c2nc3ccccc3n2C)c1 ZINC000186557008 1431453466 /nfs/dbraw/zinc/45/34/66/1431453466.db2.gz GOLTYTJJKZBYSQ-KRWDZBQOSA-N 0 1 381.476 3.041 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(N2CCCCC2=O)CC1 ZINC000186560235 1431453985 /nfs/dbraw/zinc/45/39/85/1431453985.db2.gz IIHWFBBYNZXMFW-UHFFFAOYSA-N 0 1 392.912 3.409 20 0 GGADMN COC(=O)[C@@](C)(NC(=O)CCCCc1cn[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000186569082 1431455979 /nfs/dbraw/zinc/45/59/79/1431455979.db2.gz ROHVFEDAXMSFGA-KRWDZBQOSA-N 0 1 399.278 3.029 20 0 GGADMN COC(=O)[C@](C)(NC(=O)CCCCc1cn[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000186569060 1431456188 /nfs/dbraw/zinc/45/61/88/1431456188.db2.gz ROHVFEDAXMSFGA-QGZVFWFLSA-N 0 1 399.278 3.029 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CCN1CC(C)(C)O ZINC000186570188 1431456646 /nfs/dbraw/zinc/45/66/46/1431456646.db2.gz ARALYBFDVZLYJM-RHSMWYFYSA-N 0 1 395.931 3.040 20 0 GGADMN COC(=O)c1ccccc1CCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000186575721 1431458136 /nfs/dbraw/zinc/45/81/36/1431458136.db2.gz WPVLICWSDSORCQ-UHFFFAOYSA-N 0 1 384.451 3.003 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)C[C@H](C)O1 ZINC000186575442 1431458172 /nfs/dbraw/zinc/45/81/72/1431458172.db2.gz REYKOILPOYPSLX-UXLLHSPISA-N 0 1 387.446 3.131 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)Cc2ccccc2F)CC1 ZINC000186583620 1431460363 /nfs/dbraw/zinc/46/03/63/1431460363.db2.gz JYEVWQFMTACALS-UHFFFAOYSA-N 0 1 397.903 3.173 20 0 GGADMN C[C@H](NS(=O)(=O)Cc1cccc2cccnc21)[C@H](c1ccccc1)N(C)C ZINC000186592541 1431462759 /nfs/dbraw/zinc/46/27/59/1431462759.db2.gz IZLGPFXJUFMHHS-HRAATJIYSA-N 0 1 383.517 3.346 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCc2csc(-c3ccc4c(c3)OCO4)n2)C1(C)C ZINC000186593139 1431462827 /nfs/dbraw/zinc/46/28/27/1431462827.db2.gz LQUJNIVBXQLRHN-FXAWDEMLSA-N 0 1 390.505 3.195 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1c[nH]c2cccc(F)c21 ZINC000186597899 1431464096 /nfs/dbraw/zinc/46/40/96/1431464096.db2.gz ATPPFVZYFKCHLQ-UHFFFAOYSA-N 0 1 387.480 3.250 20 0 GGADMN CC[C@@H](CN(CC)CC(=O)Nc1nc(CC(=O)OC)cs1)c1ccccc1 ZINC000186605179 1431466840 /nfs/dbraw/zinc/46/68/40/1431466840.db2.gz LBDGCQWGQNXZKQ-HNNXBMFYSA-N 0 1 389.521 3.313 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000186607271 1431467462 /nfs/dbraw/zinc/46/74/62/1431467462.db2.gz ZAPKCSIWHROQJH-CQSZACIVSA-N 0 1 376.526 3.198 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000186607271 1431467470 /nfs/dbraw/zinc/46/74/70/1431467470.db2.gz ZAPKCSIWHROQJH-CQSZACIVSA-N 0 1 376.526 3.198 20 0 GGADMN Cc1cc(C)c2c(c1)CN(C(=O)NC1CCN(Cc3ccccn3)CC1)CC2 ZINC000186608097 1431468094 /nfs/dbraw/zinc/46/80/94/1431468094.db2.gz JYIKQLITKMOJIH-UHFFFAOYSA-N 0 1 378.520 3.431 20 0 GGADMN COc1ccc(COCc2cccc(NC(=O)N(C)Cc3nnc[nH]3)c2)cc1 ZINC000186618530 1431470632 /nfs/dbraw/zinc/47/06/32/1431470632.db2.gz FJICYDQWJSBIEN-UHFFFAOYSA-N 0 1 381.436 3.194 20 0 GGADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC([N@@H+](C)CC(=O)[O-])CC3)c2c1 ZINC000186618632 1431470806 /nfs/dbraw/zinc/47/08/06/1431470806.db2.gz LURXZVOFALYSHQ-UHFFFAOYSA-N 0 1 381.476 3.042 20 0 GGADMN O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000186621382 1431472166 /nfs/dbraw/zinc/47/21/66/1431472166.db2.gz VVXPADCKVAJALU-OAHLLOKOSA-N 0 1 392.438 3.298 20 0 GGADMN COC(=O)c1ccccc1CCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000186623802 1431472314 /nfs/dbraw/zinc/47/23/14/1431472314.db2.gz NJVDLAJMFPOLFK-UHFFFAOYSA-N 0 1 380.488 3.172 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)cc12 ZINC000186623142 1431472553 /nfs/dbraw/zinc/47/25/53/1431472553.db2.gz TXSLWACBSOVFJZ-UHFFFAOYSA-N 0 1 393.375 3.400 20 0 GGADMN CC[C@H](C)Oc1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000186629745 1431473762 /nfs/dbraw/zinc/47/37/62/1431473762.db2.gz MJGYSSFXNZBBKQ-HNNXBMFYSA-N 0 1 380.448 3.491 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000186633101 1431475087 /nfs/dbraw/zinc/47/50/87/1431475087.db2.gz GRUXQQFHVRQSQG-QGZVFWFLSA-N 0 1 390.524 3.283 20 0 GGADMN CC[C@H](C(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(OC)cc1 ZINC000186633619 1431475121 /nfs/dbraw/zinc/47/51/21/1431475121.db2.gz TVNQAFOVDDQXQP-SFHVURJKSA-N 0 1 380.448 3.202 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1scnc1C ZINC000186633471 1431475255 /nfs/dbraw/zinc/47/52/55/1431475255.db2.gz XPTKUOPVQFZDIN-BQYQJAHWSA-N 0 1 386.521 3.254 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000186634917 1431475764 /nfs/dbraw/zinc/47/57/64/1431475764.db2.gz QYHRBEWWBCQYMY-UHFFFAOYSA-N 0 1 378.538 3.418 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 ZINC000186635638 1431475937 /nfs/dbraw/zinc/47/59/37/1431475937.db2.gz BOAMDKVSDRHNEZ-UHFFFAOYSA-N 0 1 390.505 3.229 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC000186634818 1431476005 /nfs/dbraw/zinc/47/60/05/1431476005.db2.gz ZGTTXAXUGGYUSP-INIZCTEOSA-N 0 1 398.503 3.349 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)C1(c2ccc(F)cc2F)CCC1 ZINC000186639577 1431477191 /nfs/dbraw/zinc/47/71/91/1431477191.db2.gz FHGQKZYONBDOCB-UHFFFAOYSA-N 0 1 398.413 3.400 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000186640852 1431477656 /nfs/dbraw/zinc/47/76/56/1431477656.db2.gz SMEFVWWCWXGHRK-MRXNPFEDSA-N 0 1 390.524 3.149 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000186642250 1431478316 /nfs/dbraw/zinc/47/83/16/1431478316.db2.gz DXXDZUJJRJBIOQ-IAGOWNOFSA-N 0 1 399.318 3.494 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)CC1 ZINC000186643017 1431478551 /nfs/dbraw/zinc/47/85/51/1431478551.db2.gz MNYAXYHLKCBARP-UHFFFAOYSA-N 0 1 381.476 3.068 20 0 GGADMN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000186644336 1431479007 /nfs/dbraw/zinc/47/90/07/1431479007.db2.gz ITPBRIUBJIDZGE-SFHVURJKSA-N 0 1 380.448 3.166 20 0 GGADMN CCC(CC)n1nc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1C ZINC000186646033 1431479366 /nfs/dbraw/zinc/47/93/66/1431479366.db2.gz LCRNRQPUGIPJDK-UHFFFAOYSA-N 0 1 382.468 3.180 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000186645079 1431479470 /nfs/dbraw/zinc/47/94/70/1431479470.db2.gz LFICZFKGMGJLNH-UHFFFAOYSA-N 0 1 378.856 3.406 20 0 GGADMN CCn1cc(CC(=O)NCc2n[nH]c(COc3ccccc3)n2)c2ccccc21 ZINC000186646962 1431480014 /nfs/dbraw/zinc/48/00/14/1431480014.db2.gz PONQJLUTJCBNKX-UHFFFAOYSA-N 0 1 389.459 3.217 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000186652814 1431481374 /nfs/dbraw/zinc/48/13/74/1431481374.db2.gz DNMRYHPXBQPHEY-HNNXBMFYSA-N 0 1 391.855 3.006 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000186653258 1431481622 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CXVJULHVNBVQAK-FUHWJXTLSA-N 0 1 390.524 3.149 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000186660501 1431483723 /nfs/dbraw/zinc/48/37/23/1431483723.db2.gz NNAQUZSMFOGRAJ-UONOGXRCSA-N 0 1 384.386 3.082 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000186660523 1431483853 /nfs/dbraw/zinc/48/38/53/1431483853.db2.gz NNAQUZSMFOGRAJ-KBPBESRZSA-N 0 1 384.386 3.082 20 0 GGADMN Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c1 ZINC000186664709 1431484730 /nfs/dbraw/zinc/48/47/30/1431484730.db2.gz COAONPMZRUCKIH-IBGZPJMESA-N 0 1 390.524 3.250 20 0 GGADMN C[C@H](CC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)cc1F ZINC000186665278 1431485170 /nfs/dbraw/zinc/48/51/70/1431485170.db2.gz WCJGBYUUNGRHEJ-CYBMUJFWSA-N 0 1 386.402 3.472 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000186666673 1431485219 /nfs/dbraw/zinc/48/52/19/1431485219.db2.gz KBMJKTCBJVPRIF-CVEARBPZSA-N 0 1 384.386 3.082 20 0 GGADMN 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ZINC000186856133 1431542458 /nfs/dbraw/zinc/54/24/58/1431542458.db2.gz SVGPRIYXBRZONM-NVXWUHKLSA-N 0 1 389.521 3.338 20 0 GGADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)NCc2ccc(C)cc2)[nH]c1-c1ccccc1 ZINC000186856501 1431542569 /nfs/dbraw/zinc/54/25/69/1431542569.db2.gz OHVPGWSFJDPOPS-MRXNPFEDSA-N 0 1 397.500 3.172 20 0 GGADMN Cc1nc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2C)[nH]c1-c1ccccc1 ZINC000186856889 1431542691 /nfs/dbraw/zinc/54/26/91/1431542691.db2.gz NCBYOWHKDAKCNG-UHFFFAOYSA-N 0 1 383.473 3.414 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(-c2ccccc2)[nH]1 ZINC000186856156 1431542734 /nfs/dbraw/zinc/54/27/34/1431542734.db2.gz SVGPRIYXBRZONM-WBVHZDCISA-N 0 1 389.521 3.338 20 0 GGADMN COc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1-c1ccccc1 ZINC000186882293 1431553851 /nfs/dbraw/zinc/55/38/51/1431553851.db2.gz ACMYCWKLUIKLGK-QGZVFWFLSA-N 0 1 382.504 3.279 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000186910186 1431562374 /nfs/dbraw/zinc/56/23/74/1431562374.db2.gz RPYLGHFYYPXOIQ-GOSISDBHSA-N 0 1 388.552 3.244 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000186909959 1431562651 /nfs/dbraw/zinc/56/26/51/1431562651.db2.gz ZHOZHKXRQHYTCV-AUSIDOKSSA-N 0 1 396.531 3.317 20 0 GGADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186921904 1431566464 /nfs/dbraw/zinc/56/64/64/1431566464.db2.gz XUNWTMVTFMIFHI-MBOZVWFJSA-N 0 1 376.516 3.279 20 0 GGADMN CN1c2ccc(CN3CCCC[C@@H]3CNC(=O)c3ccccc3)cc2CCC1=O ZINC000186925885 1431567875 /nfs/dbraw/zinc/56/78/75/1431567875.db2.gz AMJAKZOEJPZKOX-OAQYLSRUSA-N 0 1 391.515 3.380 20 0 GGADMN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186931002 1431568948 /nfs/dbraw/zinc/56/89/48/1431568948.db2.gz YZLNKGUQRUZKJQ-MRXNPFEDSA-N 0 1 388.458 3.039 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000186932978 1431569961 /nfs/dbraw/zinc/56/99/61/1431569961.db2.gz IAVGQJFHKDJBQP-GOSISDBHSA-N 0 1 382.504 3.183 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000186932993 1431570123 /nfs/dbraw/zinc/57/01/23/1431570123.db2.gz IAVGQJFHKDJBQP-SFHVURJKSA-N 0 1 382.504 3.183 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186934938 1431570363 /nfs/dbraw/zinc/57/03/63/1431570363.db2.gz JAXIIJKWPUULFK-GOSISDBHSA-N 0 1 384.495 3.208 20 0 GGADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186937362 1431571193 /nfs/dbraw/zinc/57/11/93/1431571193.db2.gz SVQXZHHHKUDMAV-PXNSSMCTSA-N 0 1 376.516 3.232 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000186940550 1431572348 /nfs/dbraw/zinc/57/23/48/1431572348.db2.gz JDNNHTJLDQIQSI-GJZGRUSLSA-N 0 1 386.458 3.188 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186942258 1431572843 /nfs/dbraw/zinc/57/28/43/1431572843.db2.gz XMTVIWOHAGJVIA-GOSISDBHSA-N 0 1 384.495 3.242 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000186946240 1431573597 /nfs/dbraw/zinc/57/35/97/1431573597.db2.gz HOMIFPVSGRVCTF-SFHVURJKSA-N 0 1 382.504 3.036 20 0 GGADMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186945506 1431573671 /nfs/dbraw/zinc/57/36/71/1431573671.db2.gz QSFJMKRMUUQUIX-FGTMMUONSA-N 0 1 376.516 3.373 20 0 GGADMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186945540 1431573706 /nfs/dbraw/zinc/57/37/06/1431573706.db2.gz QSFJMKRMUUQUIX-KZNAEPCWSA-N 0 1 376.516 3.373 20 0 GGADMN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(c3ccsc3)CC2)cc1 ZINC000186946883 1431573715 /nfs/dbraw/zinc/57/37/15/1431573715.db2.gz FDAHOTXAEPMTLK-OAHLLOKOSA-N 0 1 386.517 3.419 20 0 GGADMN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000186951938 1431575389 /nfs/dbraw/zinc/57/53/89/1431575389.db2.gz GUQDJRRZFLWXPV-ZDUSSCGKSA-N 0 1 376.884 3.116 20 0 GGADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)C[C@H]3C)c2c1 ZINC000186953141 1431575457 /nfs/dbraw/zinc/57/54/57/1431575457.db2.gz ZPIJLTCXZNSMRG-MRXNPFEDSA-N 0 1 381.520 3.338 20 0 GGADMN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000186951917 1431575509 /nfs/dbraw/zinc/57/55/09/1431575509.db2.gz GUQDJRRZFLWXPV-CYBMUJFWSA-N 0 1 376.884 3.116 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000186954616 1431575926 /nfs/dbraw/zinc/57/59/26/1431575926.db2.gz QENRTOVLYQGAJZ-MRXNPFEDSA-N 0 1 384.476 3.102 20 0 GGADMN O=S(=O)(Nc1ccn(Cc2ccccc2)n1)C1=Cc2ccccc2OCC1 ZINC000186956442 1431576344 /nfs/dbraw/zinc/57/63/44/1431576344.db2.gz YKLIMNDAYQWQPZ-UHFFFAOYSA-N 0 1 381.457 3.497 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000186957430 1431576654 /nfs/dbraw/zinc/57/66/54/1431576654.db2.gz IHWTVCBPSRRPHA-HNNXBMFYSA-N 0 1 387.911 3.319 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1OCC ZINC000186958954 1431577121 /nfs/dbraw/zinc/57/71/21/1431577121.db2.gz HEHFQQCFRZLCOF-KRWDZBQOSA-N 0 1 392.540 3.181 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000186961083 1431577401 /nfs/dbraw/zinc/57/74/01/1431577401.db2.gz AHLBUMQPDALCNO-INIZCTEOSA-N 0 1 393.487 3.412 20 0 GGADMN C[C@H](NC(=O)NCCN1CCCOCC1)C(c1ccccc1)c1ccccc1 ZINC000186975347 1431580474 /nfs/dbraw/zinc/58/04/74/1431580474.db2.gz UXANRFLBXRJMAL-IBGZPJMESA-N 0 1 381.520 3.229 20 0 GGADMN CCOc1ccc([C@@H](NC(=O)NCCN2CCCOCC2)c2ccccc2)cc1 ZINC000186976128 1431580847 /nfs/dbraw/zinc/58/08/47/1431580847.db2.gz CEYUKMRGAGFCNM-QFIPXVFZSA-N 0 1 397.519 3.196 20 0 GGADMN COc1ccccc1CN(CCO)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000186980330 1431581854 /nfs/dbraw/zinc/58/18/54/1431581854.db2.gz JDURTSNHWKLXSP-UHFFFAOYSA-N 0 1 391.880 3.435 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000186984417 1431583075 /nfs/dbraw/zinc/58/30/75/1431583075.db2.gz BFSKQWUZAYLGHK-CQSZACIVSA-N 0 1 385.483 3.169 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186986898 1431583564 /nfs/dbraw/zinc/58/35/64/1431583564.db2.gz HJGSFBIILXTFNH-OAHLLOKOSA-N 0 1 386.458 3.332 20 0 GGADMN Cc1nc(COc2ccc(NS(=O)(=O)c3c(C)cccc3F)cc2)no1 ZINC000186988932 1431583854 /nfs/dbraw/zinc/58/38/54/1431583854.db2.gz OCVPWEZYIYGDIX-UHFFFAOYSA-N 0 1 377.397 3.205 20 0 GGADMN O=C(NCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCN1Cc1ccccc1 ZINC000187005563 1431587624 /nfs/dbraw/zinc/58/76/24/1431587624.db2.gz IILBFTFJRWTLAL-GOSISDBHSA-N 0 1 383.458 3.042 20 0 GGADMN O=C(NCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000187010274 1431588664 /nfs/dbraw/zinc/58/86/64/1431588664.db2.gz PNONVNUGXHKSCY-IBGZPJMESA-N 0 1 397.485 3.432 20 0 GGADMN COc1ccc(CN(CCO)C[C@H](O)c2ccc(F)cc2Cl)c(OC)c1 ZINC000187023202 1431592933 /nfs/dbraw/zinc/59/29/33/1431592933.db2.gz HELRFUJLRJWNKB-SFHVURJKSA-N 0 1 383.847 3.024 20 0 GGADMN CCOC(C)(C)CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000187025397 1431593889 /nfs/dbraw/zinc/59/38/89/1431593889.db2.gz YPIQSCJDRBGRSA-IBGZPJMESA-N 0 1 377.529 3.337 20 0 GGADMN CC(=O)Nc1sc(NC(=O)CCCCc2cn[nH]n2)nc1-c1ccccc1 ZINC000187029001 1431594760 /nfs/dbraw/zinc/59/47/60/1431594760.db2.gz NHLLYNXEJQSHIG-UHFFFAOYSA-N 0 1 384.465 3.238 20 0 GGADMN COC(=O)c1ccccc1CCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000187036838 1431597008 /nfs/dbraw/zinc/59/70/08/1431597008.db2.gz OCUQCIADIIRWDZ-UHFFFAOYSA-N 0 1 382.460 3.222 20 0 GGADMN Cc1cc(CNC(=O)N[C@@H](C)CN2CCN(C)CC2)ccc1-c1ccccc1 ZINC000187045837 1431599155 /nfs/dbraw/zinc/59/91/55/1431599155.db2.gz AUJCSYHEJXXQHC-IBGZPJMESA-N 0 1 380.536 3.097 20 0 GGADMN Cc1cc(CNC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1Cl ZINC000187057493 1431601886 /nfs/dbraw/zinc/60/18/86/1431601886.db2.gz WRJRAIQMGWJFML-RBUKOAKNSA-N 0 1 387.911 3.083 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187086562 1431610347 /nfs/dbraw/zinc/61/03/47/1431610347.db2.gz QUVVBDQTIWLUGJ-KRWDZBQOSA-N 0 1 388.487 3.417 20 0 GGADMN COc1cc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)ccn1 ZINC000187106582 1431617294 /nfs/dbraw/zinc/61/72/94/1431617294.db2.gz GVPBMIXDOAQURB-MRXNPFEDSA-N 0 1 396.413 3.211 20 0 GGADMN COc1ncccc1CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187117384 1431619998 /nfs/dbraw/zinc/61/99/98/1431619998.db2.gz MHOWTFDKKQFKJP-MRXNPFEDSA-N 0 1 396.413 3.211 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000187128120 1431624451 /nfs/dbraw/zinc/62/44/51/1431624451.db2.gz SGUGHSSIHICQCB-MRXNPFEDSA-N 0 1 389.496 3.214 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3[C@@H]3CCCCC3=O)n[nH]2)c(C)c1 ZINC000187127978 1431624849 /nfs/dbraw/zinc/62/48/49/1431624849.db2.gz HVOHJRQZZMHMJH-PXNSSMCTSA-N 0 1 381.476 3.294 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3[C@H]3CCCCC3=O)n[nH]2)c(C)c1 ZINC000187128014 1431624874 /nfs/dbraw/zinc/62/48/74/1431624874.db2.gz HVOHJRQZZMHMJH-XLIONFOSSA-N 0 1 381.476 3.294 20 0 GGADMN CC(C)[C@@H](NC(=O)NCCN1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000187131611 1431625682 /nfs/dbraw/zinc/62/56/82/1431625682.db2.gz GGQQVQMEABPMQU-QGZVFWFLSA-N 0 1 387.446 3.424 20 0 GGADMN CC(C)[C@@H](NS(=O)(=O)c1cnc(-c2ccccc2)nc1)c1nc(C2CC2)no1 ZINC000187143627 1431629580 /nfs/dbraw/zinc/62/95/80/1431629580.db2.gz AGMIOFGKWPOXNR-MRXNPFEDSA-N 0 1 399.476 3.080 20 0 GGADMN Cc1nc(SCCOc2ccc(S(N)(=O)=O)cc2)[nH]c1-c1ccccc1 ZINC000187145091 1431629721 /nfs/dbraw/zinc/62/97/21/1431629721.db2.gz ULGPPIAYFOWEST-UHFFFAOYSA-N 0 1 389.502 3.204 20 0 GGADMN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)C1 ZINC000187152771 1431632556 /nfs/dbraw/zinc/63/25/56/1431632556.db2.gz MLSGJSBYNUNRAO-MRXNPFEDSA-N 0 1 387.505 3.279 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000187155042 1431632717 /nfs/dbraw/zinc/63/27/17/1431632717.db2.gz QKWFABAHZOKJLC-IBGZPJMESA-N 0 1 394.500 3.081 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000187164708 1431635650 /nfs/dbraw/zinc/63/56/50/1431635650.db2.gz AGNHZICAZDBBQF-SNVBAGLBSA-N 0 1 393.274 3.366 20 0 GGADMN NC(=NOCc1cc(F)ccc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000187167974 1431636635 /nfs/dbraw/zinc/63/66/35/1431636635.db2.gz VLGMYNUZOBMUBD-UHFFFAOYSA-N 0 1 377.847 3.277 20 0 GGADMN O=C(CN1CCN(CCCCCOc2ccccc2)CC1)NC1CCCCC1 ZINC000187169561 1431636797 /nfs/dbraw/zinc/63/67/97/1431636797.db2.gz KRUPGXHZGXSPTN-UHFFFAOYSA-N 0 1 387.568 3.302 20 0 GGADMN O=C(NNC(=O)c1c[nH]nc1-c1ccsc1)c1ccc(Br)s1 ZINC000187188738 1431641207 /nfs/dbraw/zinc/64/12/07/1431641207.db2.gz FALAONKBQFBUGQ-UHFFFAOYSA-N 0 1 397.279 3.037 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(OC3COC3)cc2)N2CCCC2)o1 ZINC000187206604 1431648081 /nfs/dbraw/zinc/64/80/81/1431648081.db2.gz BJLBZUXNAKZCSK-IBGZPJMESA-N 0 1 385.464 3.324 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(OC3COC3)cc2)N2CCCC2)o1 ZINC000187206581 1431648383 /nfs/dbraw/zinc/64/83/83/1431648383.db2.gz BJLBZUXNAKZCSK-LJQANCHMSA-N 0 1 385.464 3.324 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CN[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000187235144 1431659462 /nfs/dbraw/zinc/65/94/62/1431659462.db2.gz LPGPSVAWJANXPQ-MRXNPFEDSA-N 0 1 379.382 3.010 20 0 GGADMN COC(=O)c1ccccc1CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187234371 1431659747 /nfs/dbraw/zinc/65/97/47/1431659747.db2.gz QFBSIYRKHRUOGQ-GOSISDBHSA-N 0 1 385.439 3.051 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000187238742 1431661076 /nfs/dbraw/zinc/66/10/76/1431661076.db2.gz JWORWHJZGFGMBB-UHFFFAOYSA-N 0 1 386.521 3.320 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000187252947 1431666874 /nfs/dbraw/zinc/66/68/74/1431666874.db2.gz UPFLZWAMHXIMPJ-CQSZACIVSA-N 0 1 399.520 3.057 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187252640 1431667209 /nfs/dbraw/zinc/66/72/09/1431667209.db2.gz HGQHZVOHPZRBJM-GOSISDBHSA-N 0 1 386.515 3.445 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)C1(C)C ZINC000187258652 1431669345 /nfs/dbraw/zinc/66/93/45/1431669345.db2.gz CDJMZPKGPMJXQX-BEFAXECRSA-N 0 1 393.484 3.429 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)C1(C)C ZINC000187258686 1431669392 /nfs/dbraw/zinc/66/93/92/1431669392.db2.gz CDJMZPKGPMJXQX-DNVCBOLYSA-N 0 1 393.484 3.429 20 0 GGADMN Cc1noc(C)c1CCNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187261618 1431670107 /nfs/dbraw/zinc/67/01/07/1431670107.db2.gz RQXQRDZEKPDGEX-QGZVFWFLSA-N 0 1 398.429 3.455 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CCC(CN2CCOCC2)CC1 ZINC000187262826 1431672081 /nfs/dbraw/zinc/67/20/81/1431672081.db2.gz ARAKIRAANBURSM-SFHVURJKSA-N 0 1 399.457 3.086 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(-c3ccc(C)c(C)c3)[nH]n1)CC2 ZINC000187268406 1431674438 /nfs/dbraw/zinc/67/44/38/1431674438.db2.gz SKRFBZIYDJWYQU-PMACEKPBSA-N 0 1 383.492 3.086 20 0 GGADMN C[C@@H](C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1)c1cn(C)c2ccccc12 ZINC000187275580 1431677324 /nfs/dbraw/zinc/67/73/24/1431677324.db2.gz UHRVHAJCJUCSLW-MSOLQXFVSA-N 0 1 383.536 3.432 20 0 GGADMN O=C(NCCN1CCCOCC1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000187281553 1431680063 /nfs/dbraw/zinc/68/00/63/1431680063.db2.gz ILWGSFQKJSCSBV-JOCHJYFZSA-N 0 1 381.520 3.034 20 0 GGADMN COc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCCN1Cc1ccccc1)n2C ZINC000187296584 1431686193 /nfs/dbraw/zinc/68/61/93/1431686193.db2.gz RLLNXHYBHGHNLC-OAQYLSRUSA-N 0 1 392.503 3.253 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)n[nH]2)cc1C ZINC000187304532 1431689330 /nfs/dbraw/zinc/68/93/30/1431689330.db2.gz SHCISTPEHQRGPZ-MOPGFXCFSA-N 0 1 389.521 3.121 20 0 GGADMN O=C(NCCN1CCCOCC1)NCc1ccc(Sc2ccccc2)cc1 ZINC000187324035 1431696879 /nfs/dbraw/zinc/69/68/79/1431696879.db2.gz BIWWICATVFCISX-UHFFFAOYSA-N 0 1 385.533 3.359 20 0 GGADMN C[C@@H](O)CC(C)(C)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187324968 1431697318 /nfs/dbraw/zinc/69/73/18/1431697318.db2.gz DQTLFGUQHUUIPO-CJNGLKHVSA-N 0 1 389.462 3.404 20 0 GGADMN C[C@H](O)CC(C)(C)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187324988 1431697655 /nfs/dbraw/zinc/69/76/55/1431697655.db2.gz DQTLFGUQHUUIPO-XJKSGUPXSA-N 0 1 389.462 3.404 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N(C)CC1(O)CCCCCC1 ZINC000187343382 1431703703 /nfs/dbraw/zinc/70/37/03/1431703703.db2.gz NHCVODVSMFICAI-INIZCTEOSA-N 0 1 376.497 3.192 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)C1(C)C ZINC000187351341 1431705706 /nfs/dbraw/zinc/70/57/06/1431705706.db2.gz VCFITUBVHJHSSV-WMZHIEFXSA-N 0 1 395.503 3.434 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)C1(C)C ZINC000187351296 1431705820 /nfs/dbraw/zinc/70/58/20/1431705820.db2.gz VCFITUBVHJHSSV-CVDCTZTESA-N 0 1 395.503 3.434 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)c1cccs1 ZINC000187352678 1431706214 /nfs/dbraw/zinc/70/62/14/1431706214.db2.gz LYONQKKYFJJALC-NSHDSACASA-N 0 1 376.482 3.255 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1(C)C ZINC000187368696 1431710517 /nfs/dbraw/zinc/71/05/17/1431710517.db2.gz WDXYOEMJBOKSNH-KXBFYZLASA-N 0 1 377.485 3.344 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1(C)C ZINC000187368679 1431710629 /nfs/dbraw/zinc/71/06/29/1431710629.db2.gz WDXYOEMJBOKSNH-BEFAXECRSA-N 0 1 377.485 3.344 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1O ZINC000187376640 1431713507 /nfs/dbraw/zinc/71/35/07/1431713507.db2.gz NCQMAZBHMBIEQV-CQSZACIVSA-N 0 1 380.366 3.315 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C ZINC000187384844 1431715030 /nfs/dbraw/zinc/71/50/30/1431715030.db2.gz KLSLATDHCXUVPE-UTKZUKDTSA-N 0 1 392.927 3.294 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C ZINC000187384885 1431715135 /nfs/dbraw/zinc/71/51/35/1431715135.db2.gz KLSLATDHCXUVPE-DYESRHJHSA-N 0 1 392.927 3.294 20 0 GGADMN O=C(N1CC[C@@H](CN2CCOCC2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000187404162 1431720561 /nfs/dbraw/zinc/72/05/61/1431720561.db2.gz VPQXUOZJZOMUFB-KRWDZBQOSA-N 0 1 396.453 3.209 20 0 GGADMN O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCCN(Cc2ccccc2)CC1 ZINC000187420244 1431724488 /nfs/dbraw/zinc/72/44/88/1431724488.db2.gz QDSXIVKCPYVCES-UHFFFAOYSA-N 0 1 395.894 3.269 20 0 GGADMN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000187423784 1431725487 /nfs/dbraw/zinc/72/54/87/1431725487.db2.gz WDCJJARFYWZZNZ-SNVBAGLBSA-N 0 1 377.326 3.292 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000187423751 1431725638 /nfs/dbraw/zinc/72/56/38/1431725638.db2.gz PDYWUURFCOWXNY-OAQYLSRUSA-N 0 1 384.495 3.415 20 0 GGADMN O=C(NNc1c(F)cccc1Cl)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000187431965 1431728090 /nfs/dbraw/zinc/72/80/90/1431728090.db2.gz OUOPEEGRQHHDCO-UHFFFAOYSA-N 0 1 397.744 3.375 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)n[nH]2)cc1C ZINC000187433990 1431728671 /nfs/dbraw/zinc/72/86/71/1431728671.db2.gz TVWDXFATYDKXCN-UHFFFAOYSA-N 0 1 380.492 3.168 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)CCO1 ZINC000187442402 1431731332 /nfs/dbraw/zinc/73/13/32/1431731332.db2.gz KCJXSAYQCISMRI-HMXCVIKNSA-N 0 1 385.552 3.293 20 0 GGADMN C[C@H](c1cnn(C)c1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187451259 1431734353 /nfs/dbraw/zinc/73/43/53/1431734353.db2.gz ZWAFGFSMPIWOPA-CXAGYDPISA-N 0 1 397.445 3.444 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000187457763 1431736912 /nfs/dbraw/zinc/73/69/12/1431736912.db2.gz YACDBKXBTZCXNY-UAGQMJEPSA-N 0 1 387.446 3.111 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000187457748 1431736929 /nfs/dbraw/zinc/73/69/29/1431736929.db2.gz YACDBKXBTZCXNY-XIRDDKMYSA-N 0 1 387.446 3.111 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000187458670 1431737169 /nfs/dbraw/zinc/73/71/69/1431737169.db2.gz DUWJCPFMAHJHOL-ZWKOTPCHSA-N 0 1 395.425 3.341 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000187460486 1431737719 /nfs/dbraw/zinc/73/77/19/1431737719.db2.gz AFRMOKDTZPFBEM-INIZCTEOSA-N 0 1 378.394 3.450 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C1(C)C ZINC000187460576 1431737728 /nfs/dbraw/zinc/73/77/28/1431737728.db2.gz WUUJDNHNUGXQRM-PGRDOPGGSA-N 0 1 387.524 3.174 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187461420 1431738073 /nfs/dbraw/zinc/73/80/73/1431738073.db2.gz ZPKOZECPVBZJLJ-WBVHZDCISA-N 0 1 375.435 3.158 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187461399 1431738099 /nfs/dbraw/zinc/73/80/99/1431738099.db2.gz ZPKOZECPVBZJLJ-DOTOQJQBSA-N 0 1 375.435 3.158 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000187465356 1431739664 /nfs/dbraw/zinc/73/96/64/1431739664.db2.gz QWDUONJWMNHIET-GASCZTMLSA-N 0 1 382.464 3.052 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H]1CCC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000187469246 1431740614 /nfs/dbraw/zinc/74/06/14/1431740614.db2.gz ZVCNDLKIRRLMFL-RRQGHBQHSA-N 0 1 387.446 3.158 20 0 GGADMN CC[C@H](C)[C@@H](O)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187469122 1431740714 /nfs/dbraw/zinc/74/07/14/1431740714.db2.gz JNLVIDXWKZHHJZ-RCBQFDQVSA-N 0 1 375.435 3.014 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)C[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000187468913 1431740748 /nfs/dbraw/zinc/74/07/48/1431740748.db2.gz GCHWIIQHDYHMRP-PBHICJAKSA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000187471881 1431741415 /nfs/dbraw/zinc/74/14/15/1431741415.db2.gz AECCLVZRAOJWNU-PVAVHDDUSA-N 0 1 387.446 3.158 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1 ZINC000187471897 1431741627 /nfs/dbraw/zinc/74/16/27/1431741627.db2.gz AECCLVZRAOJWNU-OIISXLGYSA-N 0 1 387.446 3.158 20 0 GGADMN N#Cc1cc(Cl)nc(NNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c1 ZINC000187472156 1431741637 /nfs/dbraw/zinc/74/16/37/1431741637.db2.gz KPUWJKZGXUVMIG-UHFFFAOYSA-N 0 1 379.232 3.469 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCC([C@@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000187474567 1431742303 /nfs/dbraw/zinc/74/23/03/1431742303.db2.gz CVOCRVHAQFKKLJ-MOPGFXCFSA-N 0 1 375.513 3.326 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000187488132 1431746510 /nfs/dbraw/zinc/74/65/10/1431746510.db2.gz PFBXJJUTABQQTM-UHFFFAOYSA-N 0 1 394.928 3.231 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1(C)C ZINC000187494238 1431747727 /nfs/dbraw/zinc/74/77/27/1431747727.db2.gz KCUKTLNZVXRSLD-GCJKJVERSA-N 0 1 387.524 3.220 20 0 GGADMN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)N(C)Cc2nnc[nH]2)n1 ZINC000187498305 1431748797 /nfs/dbraw/zinc/74/87/97/1431748797.db2.gz JCRXOPUGHIHGMP-UHFFFAOYSA-N 0 1 389.847 3.371 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000187504450 1431750170 /nfs/dbraw/zinc/75/01/70/1431750170.db2.gz LCSDBIOLJKBJIJ-MSOLQXFVSA-N 0 1 398.400 3.167 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000187504394 1431750191 /nfs/dbraw/zinc/75/01/91/1431750191.db2.gz LCSDBIOLJKBJIJ-ZWKOTPCHSA-N 0 1 398.400 3.167 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187508337 1431751641 /nfs/dbraw/zinc/75/16/41/1431751641.db2.gz PYFHSYNNLDLXSB-MISYRCLQSA-N 0 1 391.943 3.419 20 0 GGADMN CCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1ccccc1OC ZINC000187514878 1431753566 /nfs/dbraw/zinc/75/35/66/1431753566.db2.gz DSXWYJVDXHGJIZ-UHFFFAOYSA-N 0 1 382.508 3.144 20 0 GGADMN CC[C@@]1(CO)CCCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000187518773 1431754858 /nfs/dbraw/zinc/75/48/58/1431754858.db2.gz WECPDBYYEIQPMP-SJLPKXTDSA-N 0 1 386.414 3.175 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)C1(C)C ZINC000187521984 1431755263 /nfs/dbraw/zinc/75/52/63/1431755263.db2.gz BIVZFKGTFPKESH-KXBFYZLASA-N 0 1 395.475 3.483 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(COCCOC(C)C)c2)C1(C)C ZINC000187533751 1431758943 /nfs/dbraw/zinc/75/89/43/1431758943.db2.gz FTKPIXSRAGZINL-GHTZIAJQSA-N 0 1 378.513 3.099 20 0 GGADMN CCCN(C(=O)c1ccn(CCOC)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000187538139 1431760241 /nfs/dbraw/zinc/76/02/41/1431760241.db2.gz QUYMLOHVHQFEIQ-HXUWFJFHSA-N 0 1 384.524 3.046 20 0 GGADMN CCCN(C(=O)c1ccn(CCOC)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000187538152 1431760449 /nfs/dbraw/zinc/76/04/49/1431760449.db2.gz QUYMLOHVHQFEIQ-FQEVSTJZSA-N 0 1 384.524 3.046 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCN(C4CC4)c4ccccc43)c2)CC1 ZINC000187541159 1431761275 /nfs/dbraw/zinc/76/12/75/1431761275.db2.gz ZWCSOTFJZHDZOH-UHFFFAOYSA-N 0 1 390.531 3.063 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccsc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000187545501 1431762784 /nfs/dbraw/zinc/76/27/84/1431762784.db2.gz WUHGJPNPOOAJEQ-HNNXBMFYSA-N 0 1 391.924 3.463 20 0 GGADMN CCN(C(=O)C(=O)Nc1ccsc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000187545483 1431763089 /nfs/dbraw/zinc/76/30/89/1431763089.db2.gz WUHGJPNPOOAJEQ-OAHLLOKOSA-N 0 1 391.924 3.463 20 0 GGADMN CCOc1ccccc1CNCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000187556175 1431765896 /nfs/dbraw/zinc/76/58/96/1431765896.db2.gz RUQQDRZQICPPCL-UHFFFAOYSA-N 0 1 378.469 3.054 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2cc(F)c(F)c(F)c2)cc1F ZINC000187558401 1431766504 /nfs/dbraw/zinc/76/65/04/1431766504.db2.gz VKYSNTWSORGGGP-UHFFFAOYSA-N 0 1 388.386 3.073 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000187563115 1431768336 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CC(C)(C)c1nc2ccc(NC(=O)NCCN3CCCOCC3)cc2s1 ZINC000188345633 1431875490 /nfs/dbraw/zinc/87/54/90/1431875490.db2.gz WMABVSXJNOELFZ-UHFFFAOYSA-N 0 1 376.526 3.438 20 0 GGADMN O=C(NCCCCCc1ccc(F)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000188345723 1431875509 /nfs/dbraw/zinc/87/55/09/1431875509.db2.gz HKCRDRJIVHSCHN-HXUWFJFHSA-N 0 1 391.531 3.292 20 0 GGADMN Cc1c(COc2ccccc2)cccc1NC(=O)NCCN1CCCOCC1 ZINC000188377001 1431878703 /nfs/dbraw/zinc/87/87/03/1431878703.db2.gz ATBPQSILOIDRQC-UHFFFAOYSA-N 0 1 383.492 3.418 20 0 GGADMN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188382643 1431879480 /nfs/dbraw/zinc/87/94/80/1431879480.db2.gz VNASBGXJMIHUGO-NRFANRHFSA-N 0 1 392.544 3.277 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1cnc(-c2ccccc2)nc1 ZINC000188385359 1431879627 /nfs/dbraw/zinc/87/96/27/1431879627.db2.gz NGALORWMPMEPCQ-UHFFFAOYSA-N 0 1 395.419 3.269 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CCN1 ZINC000188392773 1431880523 /nfs/dbraw/zinc/88/05/23/1431880523.db2.gz WWJJGQIDCLJPOJ-MRXNPFEDSA-N 0 1 389.565 3.004 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188397046 1431880696 /nfs/dbraw/zinc/88/06/96/1431880696.db2.gz VRYVAFBPVBMTDT-ZBFHGGJFSA-N 0 1 390.528 3.031 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188397070 1431880777 /nfs/dbraw/zinc/88/07/77/1431880777.db2.gz VRYVAFBPVBMTDT-GOEBONIOSA-N 0 1 390.528 3.031 20 0 GGADMN C[C@@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CCN1 ZINC000188404417 1431881449 /nfs/dbraw/zinc/88/14/49/1431881449.db2.gz ALDVSKGSDWKSOD-GFCCVEGCSA-N 0 1 378.398 3.202 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(CC(C)(C)O)C2CC2)CC1 ZINC000188408382 1431881666 /nfs/dbraw/zinc/88/16/66/1431881666.db2.gz KYBZRHZIJLBGCV-UHFFFAOYSA-N 0 1 394.947 3.249 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)[nH]n2)cc1C ZINC000188407856 1431881733 /nfs/dbraw/zinc/88/17/33/1431881733.db2.gz RNJVDVKYTURAIN-UHFFFAOYSA-N 0 1 389.503 3.483 20 0 GGADMN C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Oc1ccccc1Br ZINC000188410103 1431881940 /nfs/dbraw/zinc/88/19/40/1431881940.db2.gz KWGUIJICCORNQF-GFCCVEGCSA-N 0 1 392.297 3.177 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188423545 1431883056 /nfs/dbraw/zinc/88/30/56/1431883056.db2.gz HBKVYRPRFPTKBL-LLVKDONJSA-N 0 1 394.288 3.480 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCc3cnc[nH]3)ccc2C)c1 ZINC000188429466 1431883544 /nfs/dbraw/zinc/88/35/44/1431883544.db2.gz WAJYMFKFBREFFZ-UHFFFAOYSA-N 0 1 398.488 3.399 20 0 GGADMN COc1cc(NC(=O)Cc2n[nH]c3c2CCCC3)cc(OC)c1Br ZINC000188438416 1431884122 /nfs/dbraw/zinc/88/41/22/1431884122.db2.gz JDTRVNODZPJMNU-UHFFFAOYSA-N 0 1 394.269 3.249 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000188455418 1431885300 /nfs/dbraw/zinc/88/53/00/1431885300.db2.gz LXLCWVLLIRHCGV-SECBINFHSA-N 0 1 375.252 3.296 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2c(Cl)cccc2OC)CC1 ZINC000188460998 1431885905 /nfs/dbraw/zinc/88/59/05/1431885905.db2.gz BODNJNIXTUZHTG-CQSZACIVSA-N 0 1 396.915 3.019 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCCc2ccc(F)c(F)c2)N(C)C)c1 ZINC000188478606 1431887626 /nfs/dbraw/zinc/88/76/26/1431887626.db2.gz HCVIXLUDVWWDGU-LJQANCHMSA-N 0 1 377.435 3.118 20 0 GGADMN Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCN[C@H](C)C3)[C@@H]2c2cccs2)cc1 ZINC000188481925 1431887838 /nfs/dbraw/zinc/88/78/38/1431887838.db2.gz HFWCCQKCCUFFCK-PLMTUMEDSA-N 0 1 397.544 3.361 20 0 GGADMN Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCN[C@H](C)C3)[C@H]2c2cccs2)cc1 ZINC000188481899 1431887874 /nfs/dbraw/zinc/88/78/74/1431887874.db2.gz HFWCCQKCCUFFCK-MMOPVJDHSA-N 0 1 397.544 3.361 20 0 GGADMN Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCN[C@H](C)C3)[C@H]2c2cccs2)cc1 ZINC000188481848 1431887913 /nfs/dbraw/zinc/88/79/13/1431887913.db2.gz HFWCCQKCCUFFCK-BLIXFSHQSA-N 0 1 397.544 3.361 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@H](C(N)=O)C1 ZINC000188520140 1431891468 /nfs/dbraw/zinc/89/14/68/1431891468.db2.gz LOCSDRZTVOLWGX-UTKZUKDTSA-N 0 1 379.504 3.045 20 0 GGADMN Cc1ccc(C(=O)NCCNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000188522086 1431891705 /nfs/dbraw/zinc/89/17/05/1431891705.db2.gz HPEHLXRYIDHCQS-UHFFFAOYSA-N 0 1 388.880 3.260 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CCN1CC(C)(C)O ZINC000188525661 1431891837 /nfs/dbraw/zinc/89/18/37/1431891837.db2.gz NMKOZKQSUUYCDD-HNAYVOBHSA-N 0 1 377.504 3.154 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CCN1CC(C)(C)O ZINC000188525635 1431891888 /nfs/dbraw/zinc/89/18/88/1431891888.db2.gz NMKOZKQSUUYCDD-DNVCBOLYSA-N 0 1 377.504 3.154 20 0 GGADMN O=C(N[C@H]1CCC[C@H]1CCO)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000188527827 1431892106 /nfs/dbraw/zinc/89/21/06/1431892106.db2.gz NLWAGSYLZPDLCW-UGKGYDQZSA-N 0 1 381.520 3.218 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccc(F)cc1 ZINC000188528757 1431892304 /nfs/dbraw/zinc/89/23/04/1431892304.db2.gz GONJITOMVIAXIW-GOSISDBHSA-N 0 1 387.846 3.093 20 0 GGADMN CCn1nccc1N1CCC[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000188542336 1431893524 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O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCC(c2ccsc2)CC1 ZINC000188626499 1431907897 /nfs/dbraw/zinc/90/78/97/1431907897.db2.gz IKUWXWWFJCERJK-UHFFFAOYSA-N 0 1 382.489 3.151 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3F)cc2)CC1 ZINC000188663349 1431924012 /nfs/dbraw/zinc/92/40/12/1431924012.db2.gz YQSHERGWZYOOCI-UHFFFAOYSA-N 0 1 375.875 3.157 20 0 GGADMN COCCOc1cccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000188671053 1431927999 /nfs/dbraw/zinc/92/79/99/1431927999.db2.gz XVJYCJJYUXMSPH-RUJXFNLJSA-N 0 1 396.491 3.127 20 0 GGADMN C[C@H]1CN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000188673880 1431928976 /nfs/dbraw/zinc/92/89/76/1431928976.db2.gz KPDHTRVEJYWJAN-AWEZNQCLSA-N 0 1 386.458 3.287 20 0 GGADMN O=C(c1[nH]nc2c1CNCC2)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000188675276 1431929684 /nfs/dbraw/zinc/92/96/84/1431929684.db2.gz XUMTVWRIVDXDCF-LBPRGKRZSA-N 0 1 395.290 3.046 20 0 GGADMN CCOc1cnc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000188683181 1431931352 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20 0 GGADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)c2c1 ZINC000188715780 1431943876 /nfs/dbraw/zinc/94/38/76/1431943876.db2.gz AYDORPRLVKYPNI-INIZCTEOSA-N 0 1 381.520 3.338 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCC(c4ccsc4)CC3)cc2[nH]c1=S ZINC000188718643 1431944435 /nfs/dbraw/zinc/94/44/35/1431944435.db2.gz WZDJMRSQIVHYNA-UHFFFAOYSA-N 0 1 385.514 3.304 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188735966 1431951186 /nfs/dbraw/zinc/95/11/86/1431951186.db2.gz PZLSVZUGNWUNNG-LSDHHAIUSA-N 0 1 386.458 3.188 20 0 GGADMN C[C@@H](Cc1ccccc1Br)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188734922 1431951418 /nfs/dbraw/zinc/95/14/18/1431951418.db2.gz AQLMFZGZWMAWJB-LBPRGKRZSA-N 0 1 376.298 3.341 20 0 GGADMN CC[C@@](C)(COc1ncccc1Cl)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188736905 1431953188 /nfs/dbraw/zinc/95/31/88/1431953188.db2.gz PBDLDNWVEKFUNG-IBGZPJMESA-N 0 1 376.888 3.243 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCN1CC(C)(C)O ZINC000188746612 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GGADMN Fc1ccc(Cn2cc(CN[C@@H](CN3CCOCC3)c3ccccc3)cn2)cc1 ZINC000189008967 1432026136 /nfs/dbraw/zinc/02/61/36/1432026136.db2.gz NYLXGKYKBQVEHP-QHCPKHFHSA-N 0 1 394.494 3.234 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NNc1ccc(Br)cc1Cl ZINC000189014603 1432026870 /nfs/dbraw/zinc/02/68/70/1432026870.db2.gz QHEDBYJMZIXPSM-UHFFFAOYSA-N 0 1 383.677 3.390 20 0 GGADMN O=C(c1c[nH]nc1-c1ccsc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000189040953 1432032614 /nfs/dbraw/zinc/03/26/14/1432032614.db2.gz NVANDPKSJRGOSR-UHFFFAOYSA-N 0 1 388.537 3.103 20 0 GGADMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)c(Cl)s1 ZINC000189041854 1432032647 /nfs/dbraw/zinc/03/26/47/1432032647.db2.gz OTSHSUMKXWXJET-QMMMGPOBSA-N 0 1 381.704 3.130 20 0 GGADMN FC(F)C(F)(F)COCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000189055032 1432036151 /nfs/dbraw/zinc/03/61/51/1432036151.db2.gz IVQPSURYYSRPHB-UHFFFAOYSA-N 0 1 388.365 3.228 20 0 GGADMN CCOc1cc(CCCNC(=O)c2n[nH]nc2-c2ccccc2)ccc1OC ZINC000189062692 1432037974 /nfs/dbraw/zinc/03/79/74/1432037974.db2.gz YKKDLWSMOXWVMY-UHFFFAOYSA-N 0 1 380.448 3.242 20 0 GGADMN CN(C)c1cccc(CCC(=O)NCCCN2CCN(c3ccccc3)CC2)c1 ZINC000189066851 1432038165 /nfs/dbraw/zinc/03/81/65/1432038165.db2.gz GENTUDRSULXISH-UHFFFAOYSA-N 0 1 394.563 3.014 20 0 GGADMN O=C1CCCN1Cc1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189070282 1432039047 /nfs/dbraw/zinc/03/90/47/1432039047.db2.gz VZEKSNSLCMYNIA-UHFFFAOYSA-N 0 1 392.478 3.483 20 0 GGADMN CCC1(CC)Oc2ccc(NC(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)cc2O1 ZINC000189074370 1432040008 /nfs/dbraw/zinc/04/00/08/1432040008.db2.gz AWFCDFIAZDRUGN-UHFFFAOYSA-N 0 1 396.447 3.108 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000189075376 1432040144 /nfs/dbraw/zinc/04/01/44/1432040144.db2.gz YNCIIGODLYOVOE-UHFFFAOYSA-N 0 1 386.459 3.328 20 0 GGADMN C[C@@H](CC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCCC1=O ZINC000189086634 1432042520 /nfs/dbraw/zinc/04/25/20/1432042520.db2.gz JJPIUMSWLUHYRT-LPHOPBHVSA-N 0 1 391.943 3.384 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)s1 ZINC000189094878 1432043975 /nfs/dbraw/zinc/04/39/75/1432043975.db2.gz OPSGJARTDMYPDU-QAPCUYQASA-N 0 1 387.549 3.401 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)s1 ZINC000189094898 1432044035 /nfs/dbraw/zinc/04/40/35/1432044035.db2.gz OPSGJARTDMYPDU-CRAIPNDOSA-N 0 1 387.549 3.401 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000189106856 1432046130 /nfs/dbraw/zinc/04/61/30/1432046130.db2.gz ANWXVOUFWMOYBF-QFIPXVFZSA-N 0 1 375.472 3.348 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000189133734 1432050393 /nfs/dbraw/zinc/05/03/93/1432050393.db2.gz XYZRXUYJQVBINE-LPHOPBHVSA-N 0 1 390.524 3.080 20 0 GGADMN O=C(CN1CCC([C@H]2CCCO2)CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000189136435 1432050707 /nfs/dbraw/zinc/05/07/07/1432050707.db2.gz ODGHNPYTNKALBC-QGZVFWFLSA-N 0 1 386.414 3.092 20 0 GGADMN O=C(NCc1ccc(N2CCCCCC2)nc1)c1n[nH]nc1-c1ccccc1 ZINC000189137529 1432051037 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377.506 3.092 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000189161445 1432055326 /nfs/dbraw/zinc/05/53/26/1432055326.db2.gz LVLCDEYHBZHHOT-UZLBHIALSA-N 0 1 385.508 3.031 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1C(F)(F)F ZINC000189161773 1432055482 /nfs/dbraw/zinc/05/54/82/1432055482.db2.gz OCLJPVUNWRZDSL-ZDUSSCGKSA-N 0 1 387.423 3.322 20 0 GGADMN COc1cc(F)c([C@@H](C)NCCC(=O)N2CCc3ccccc3C2)cc1OC ZINC000189162990 1432056002 /nfs/dbraw/zinc/05/60/02/1432056002.db2.gz ZMUXORVIGGYYDQ-OAHLLOKOSA-N 0 1 386.467 3.469 20 0 GGADMN O=S(=O)(CCO)c1ccc(CNC2c3ccccc3-c3ccccc32)cc1 ZINC000189164722 1432056205 /nfs/dbraw/zinc/05/62/05/1432056205.db2.gz NCHRSTWLTGSWIG-UHFFFAOYSA-N 0 1 379.481 3.312 20 0 GGADMN CC(C)COc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000189177255 1432058391 /nfs/dbraw/zinc/05/83/91/1432058391.db2.gz ADTLGRGVTHEMFU-QGZVFWFLSA-N 0 1 391.533 3.338 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(OC(C)(C)C)cc1 ZINC000189176858 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Cc1nccn1-c1ccc(CNC(=O)c2n[nH]nc2-c2ccccc2)cc1F ZINC000189241485 1432069637 /nfs/dbraw/zinc/06/96/37/1432069637.db2.gz MJODWRNTWCZYFR-UHFFFAOYSA-N 0 1 376.395 3.035 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCC3CCN(CC(F)(F)F)CC3)[nH]c21 ZINC000189266690 1432074729 /nfs/dbraw/zinc/07/47/29/1432074729.db2.gz IWPOKJUOFOKAPC-UHFFFAOYSA-N 0 1 382.430 3.194 20 0 GGADMN COCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(F)ccc3Cl)ccc21 ZINC000189274922 1432076511 /nfs/dbraw/zinc/07/65/11/1432076511.db2.gz ZNHSQFKKQHJIDF-UHFFFAOYSA-N 0 1 398.843 3.163 20 0 GGADMN Fc1cc(Cl)ccc1CNCc1cccc(OCCN2CCOCC2)c1 ZINC000189284701 1432078688 /nfs/dbraw/zinc/07/86/88/1432078688.db2.gz YXDWUMGLWFTENV-UHFFFAOYSA-N 0 1 378.875 3.480 20 0 GGADMN CCC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(F)cc1F ZINC000189316734 1432084915 /nfs/dbraw/zinc/08/49/15/1432084915.db2.gz JGWWDUNUSLWZBD-KBXCAEBGSA-N 0 1 383.483 3.293 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCCNC(=O)[C@@H]1C ZINC000189325265 1432086307 /nfs/dbraw/zinc/08/63/07/1432086307.db2.gz YLJSVVNJQSZWNV-AWEZNQCLSA-N 0 1 379.932 3.394 20 0 GGADMN O=C(NCCN1CCCOCC1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000189360181 1432093280 /nfs/dbraw/zinc/09/32/80/1432093280.db2.gz FZNBNBVRRKCQJG-UHFFFAOYSA-N 0 1 388.895 3.371 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000189373492 1432095009 /nfs/dbraw/zinc/09/50/09/1432095009.db2.gz XGJYZAUKICFDDC-CQSZACIVSA-N 0 1 390.940 3.215 20 0 GGADMN CCOC(=O)N1CCC([C@@H](C)NCc2csc(N(C(C)=O)C3CC3)n2)CC1 ZINC000189372586 1432095029 /nfs/dbraw/zinc/09/50/29/1432095029.db2.gz PQZSJSASCDPLQE-CYBMUJFWSA-N 0 1 394.541 3.005 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189377924 1432095757 /nfs/dbraw/zinc/09/57/57/1432095757.db2.gz IPKZLGTZCREBOR-OAHLLOKOSA-N 0 1 394.947 3.276 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189377897 1432095940 /nfs/dbraw/zinc/09/59/40/1432095940.db2.gz IPKZLGTZCREBOR-HNNXBMFYSA-N 0 1 394.947 3.276 20 0 GGADMN COC[C@@H]1CN(C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C[C@H](C)O1 ZINC000189386774 1432097165 /nfs/dbraw/zinc/09/71/65/1432097165.db2.gz VIPOQKLMMJSLGD-NRTAZHGZSA-N 0 1 399.531 3.198 20 0 GGADMN O=C(c1n[nH]nc1-c1ccccc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000189391306 1432097741 /nfs/dbraw/zinc/09/77/41/1432097741.db2.gz MAHFWBPGOVOTMQ-KRWDZBQOSA-N 0 1 399.458 3.277 20 0 GGADMN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1n[nH]nc1-c1ccccc1 ZINC000189389958 1432097800 /nfs/dbraw/zinc/09/78/00/1432097800.db2.gz XXSXEUOQVCZPIH-UHFFFAOYSA-N 0 1 380.795 3.105 20 0 GGADMN COc1ccccc1/C=C(/C(=O)NCCN1CCCOCC1)c1ccccc1 ZINC000189404981 1432099913 /nfs/dbraw/zinc/09/99/13/1432099913.db2.gz RBNGNLVQSPSWJV-DYTRJAOYSA-N 0 1 380.488 3.074 20 0 GGADMN O=C(NCCN1CCCOCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000189431844 1432108794 /nfs/dbraw/zinc/10/87/94/1432108794.db2.gz GBMOUSRKKDXQGW-UHFFFAOYSA-N 0 1 375.472 3.354 20 0 GGADMN O=C([C@H](Cc1ccccc1)NCc1ccc(Cl)cc1F)N1CCOCC1 ZINC000189434904 1432109423 /nfs/dbraw/zinc/10/94/23/1432109423.db2.gz MCDMLSPDMFFPRJ-IBGZPJMESA-N 0 1 376.859 3.039 20 0 GGADMN Cc1noc(C)c1CSc1ccccc1C(=O)NCCN1CCCOCC1 ZINC000189436386 1432110200 /nfs/dbraw/zinc/11/02/00/1432110200.db2.gz ZPOLMAJKNPHMRM-UHFFFAOYSA-N 0 1 389.521 3.036 20 0 GGADMN COC[C@@H]1CN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C[C@H](C)O1 ZINC000189435314 1432110483 /nfs/dbraw/zinc/11/04/83/1432110483.db2.gz ONRDLOYCMRPWMX-HCUBDLJJSA-N 0 1 399.531 3.198 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000189449415 1432115631 /nfs/dbraw/zinc/11/56/31/1432115631.db2.gz XVNOTHYZGIIYMT-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000189455776 1432116964 /nfs/dbraw/zinc/11/69/64/1432116964.db2.gz RMRLMCJGDJXSCA-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@H](NC(=O)c1n[nH]nc1-c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000189459107 1432118524 /nfs/dbraw/zinc/11/85/24/1432118524.db2.gz KIWNAXAUQXXZOC-NSHDSACASA-N 0 1 378.367 3.152 20 0 GGADMN Cc1ccc(-c2ncccc2NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)s1 ZINC000189472131 1432124806 /nfs/dbraw/zinc/12/48/06/1432124806.db2.gz YNCWZTBWNBPGCB-INIZCTEOSA-N 0 1 386.521 3.305 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000189473091 1432125155 /nfs/dbraw/zinc/12/51/55/1432125155.db2.gz KDRHWAGMUCZRAD-DHIUTWEWSA-N 0 1 394.515 3.208 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nnnn1-c1ccccc1 ZINC000189474115 1432126058 /nfs/dbraw/zinc/12/60/58/1432126058.db2.gz PMOSFQSEGDLOHX-DJIMGWMZSA-N 0 1 386.500 3.149 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC000189479682 1432127975 /nfs/dbraw/zinc/12/79/75/1432127975.db2.gz SXSGTGOTRGHHOU-IAGOWNOFSA-N 0 1 388.464 3.424 20 0 GGADMN COCCc1ccccc1NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000189478371 1432128175 /nfs/dbraw/zinc/12/81/75/1432128175.db2.gz GBTVQQRBPQUFTQ-UHFFFAOYSA-N 0 1 398.282 3.166 20 0 GGADMN Cc1c(=O)[n-]c(SCCCN2CC[NH+](C(C)C)CC2)nc1-c1ccccc1 ZINC000189481087 1432129938 /nfs/dbraw/zinc/12/99/38/1432129938.db2.gz NMSRVEIFSKCDER-UHFFFAOYSA-N 0 1 386.565 3.254 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000189481654 1432130188 /nfs/dbraw/zinc/13/01/88/1432130188.db2.gz KXNKEMPRIGHLFJ-QRVBRYPASA-N 0 1 387.524 3.432 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NCc1nnc2n1c1ccccc1c(=O)n2CC ZINC000189485874 1432131665 /nfs/dbraw/zinc/13/16/65/1432131665.db2.gz BJXSNAWXUXGIMR-WBVHZDCISA-N 0 1 385.537 3.218 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000189487941 1432132160 /nfs/dbraw/zinc/13/21/60/1432132160.db2.gz IPPNSLQOZCKDLM-CXAGYDPISA-N 0 1 377.510 3.094 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccnc3-c3ccc(C)s3)C2)CC1 ZINC000189487819 1432132433 /nfs/dbraw/zinc/13/24/33/1432132433.db2.gz GUDOPGWRMNSALI-KRWDZBQOSA-N 0 1 399.564 3.362 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)Nc3nc4cccc(C(=O)OC)c4[nH]3)c21 ZINC000189531113 1432150896 /nfs/dbraw/zinc/15/08/96/1432150896.db2.gz CHBMEWKYYAOMNH-UHFFFAOYSA-N 0 1 392.415 3.411 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000189574513 1432164531 /nfs/dbraw/zinc/16/45/31/1432164531.db2.gz CXYLNUWILIEVRS-OAHLLOKOSA-N 0 1 381.904 3.313 20 0 GGADMN CC(C)(C)OC(=O)N1Cc2ccc(CNCc3cccc(C(N)=O)c3)cc2C1 ZINC000189580113 1432165692 /nfs/dbraw/zinc/16/56/92/1432165692.db2.gz KWVNNEWSFBJSCE-UHFFFAOYSA-N 0 1 381.476 3.326 20 0 GGADMN Cn1cnnc1[C@@H]1CCCN1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000189588903 1432168266 /nfs/dbraw/zinc/16/82/66/1432168266.db2.gz JQSWLULLCRTOPH-IBGZPJMESA-N 0 1 383.496 3.001 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@@H](O)C3)cc2Cl)CC1 ZINC000189591158 1432169444 /nfs/dbraw/zinc/16/94/44/1432169444.db2.gz IFSMNJHRIDAPEF-NVXWUHKLSA-N 0 1 394.947 3.155 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(Br)o1)c1cccc(F)c1 ZINC000189603936 1432172966 /nfs/dbraw/zinc/17/29/66/1432172966.db2.gz XSPCUZSLKARRIX-CQSZACIVSA-N 0 1 384.249 3.283 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2ccc(Br)o2)N(C)C)c1 ZINC000189605866 1432174217 /nfs/dbraw/zinc/17/42/17/1432174217.db2.gz DHEJMLQKWCVRPR-OAHLLOKOSA-N 0 1 396.285 3.153 20 0 GGADMN COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(OC(F)F)c1 ZINC000189609221 1432175628 /nfs/dbraw/zinc/17/56/28/1432175628.db2.gz OLKLFWDGLIQYRJ-OAHLLOKOSA-N 0 1 380.391 3.457 20 0 GGADMN COC(=O)[C@H](NCc1cccc(Br)c1O)c1ccc2c(c1)CCO2 ZINC000189614618 1432177963 /nfs/dbraw/zinc/17/79/63/1432177963.db2.gz DFMNLFKQRNGRKD-MRXNPFEDSA-N 0 1 392.249 3.094 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000189620056 1432179979 /nfs/dbraw/zinc/17/99/79/1432179979.db2.gz QNXKEEVQUVABTJ-FQEVSTJZSA-N 0 1 387.911 3.451 20 0 GGADMN CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000189626651 1432182563 /nfs/dbraw/zinc/18/25/63/1432182563.db2.gz ZWXOPIBHPNJZLB-HSZRJFAPSA-N 0 1 395.503 3.423 20 0 GGADMN CC[C@]1(CO)CCCN1CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000189626651 1432182575 /nfs/dbraw/zinc/18/25/75/1432182575.db2.gz ZWXOPIBHPNJZLB-HSZRJFAPSA-N 0 1 395.503 3.423 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000189640287 1432188128 /nfs/dbraw/zinc/18/81/28/1432188128.db2.gz FFNLGSZJCSSMAH-VGOFRKELSA-N 0 1 388.556 3.238 20 0 GGADMN CC[C@]1(CO)CCCN1Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000189652316 1432191632 /nfs/dbraw/zinc/19/16/32/1432191632.db2.gz RWRMZYCBOYZUHW-GOSISDBHSA-N 0 1 383.395 3.084 20 0 GGADMN C[C@@H]1CCCCN1C(=O)CN1CCN(CCCCCOc2ccccc2)CC1 ZINC000189657023 1432193446 /nfs/dbraw/zinc/19/34/46/1432193446.db2.gz XLVFGHGASFVIKY-OAQYLSRUSA-N 0 1 387.568 3.254 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000189683597 1432202688 /nfs/dbraw/zinc/20/26/88/1432202688.db2.gz OLWWNFPVRLDOFQ-FQEVSTJZSA-N 0 1 387.505 3.176 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000189689560 1432205280 /nfs/dbraw/zinc/20/52/80/1432205280.db2.gz LTIMXZJWNGNSEK-JXFKEZNVSA-N 0 1 387.505 3.256 20 0 GGADMN CC[C@@]1(CO)CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000189689465 1432205396 /nfs/dbraw/zinc/20/53/96/1432205396.db2.gz JCDVLXDQABOWAP-JXFKEZNVSA-N 0 1 387.505 3.256 20 0 GGADMN CC[C@]1(CO)CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000189689444 1432205436 /nfs/dbraw/zinc/20/54/36/1432205436.db2.gz JCDVLXDQABOWAP-OXJNMPFZSA-N 0 1 387.505 3.256 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4CC(c5cccnc5)=NO4)C3)[nH]c2c1 ZINC000189695901 1432206797 /nfs/dbraw/zinc/20/67/97/1432206797.db2.gz LAKPQQKQFDONAK-JXFKEZNVSA-N 0 1 389.459 3.166 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H]4CC(c5cccnc5)=NO4)C3)[nH]c2c1 ZINC000189695941 1432206867 /nfs/dbraw/zinc/20/68/67/1432206867.db2.gz LAKPQQKQFDONAK-OXJNMPFZSA-N 0 1 389.459 3.166 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CC(c5cccnc5)=NO4)C3)[nH]c2c1 ZINC000189695919 1432207160 /nfs/dbraw/zinc/20/71/60/1432207160.db2.gz LAKPQQKQFDONAK-OXQOHEQNSA-N 0 1 389.459 3.166 20 0 GGADMN COCCO[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000189707248 1432210176 /nfs/dbraw/zinc/21/01/76/1432210176.db2.gz LGFGRZJEEGAPTE-SFTDATJTSA-N 0 1 388.552 3.385 20 0 GGADMN Cc1ccc(C[C@H](CO)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000189721082 1432214013 /nfs/dbraw/zinc/21/40/13/1432214013.db2.gz YAWYCGOKLDQWER-WOJBJXKFSA-N 0 1 385.508 3.018 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000189726956 1432216112 /nfs/dbraw/zinc/21/61/12/1432216112.db2.gz TYBGNVJIIBJZGQ-JOCHJYFZSA-N 0 1 384.476 3.060 20 0 GGADMN CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000189726427 1432216194 /nfs/dbraw/zinc/21/61/94/1432216194.db2.gz TWNXRGHBIGRMLR-KRWDZBQOSA-N 0 1 394.519 3.429 20 0 GGADMN Cc1cccc2c1OCC[C@H]2NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000189729066 1432216834 /nfs/dbraw/zinc/21/68/34/1432216834.db2.gz VDCIUYWIZWIVIB-LJQANCHMSA-N 0 1 387.524 3.153 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccccc1 ZINC000189734262 1432218309 /nfs/dbraw/zinc/21/83/09/1432218309.db2.gz KEHQVJKVUSSCGC-JOCHJYFZSA-N 0 1 383.492 3.247 20 0 GGADMN COC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000189739102 1432220363 /nfs/dbraw/zinc/22/03/63/1432220363.db2.gz VEMGGSYXJIZEAO-UXHICEINSA-N 0 1 385.508 3.316 20 0 GGADMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)s1 ZINC000189749358 1432223100 /nfs/dbraw/zinc/22/31/00/1432223100.db2.gz HOLDXSSZAYIUIY-UHFFFAOYSA-N 0 1 399.497 3.438 20 0 GGADMN O=C1[C@@H](NCc2cnn(-c3ccccc3)c2)CCCN1Cc1ccc(F)cc1F ZINC000189754676 1432224472 /nfs/dbraw/zinc/22/44/72/1432224472.db2.gz JLBQTFXWHZOCRR-NRFANRHFSA-N 0 1 396.441 3.431 20 0 GGADMN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC1(O)CCOCC1 ZINC000189762847 1432227322 /nfs/dbraw/zinc/22/73/22/1432227322.db2.gz KUBOMMBINOWOGQ-GFCCVEGCSA-N 0 1 385.386 3.290 20 0 GGADMN COc1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1F ZINC000189763588 1432228599 /nfs/dbraw/zinc/22/85/99/1432228599.db2.gz QVIJAOVLCIMDSA-GOSISDBHSA-N 0 1 378.394 3.393 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189779120 1432232992 /nfs/dbraw/zinc/23/29/92/1432232992.db2.gz WETHHIBESBXFBI-NRFANRHFSA-N 0 1 398.503 3.157 20 0 GGADMN Cc1cc(C)n2nc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)nc2n1 ZINC000189782840 1432233573 /nfs/dbraw/zinc/23/35/73/1432233573.db2.gz ZLEFSFIDMDBHHF-UHFFFAOYSA-N 0 1 399.867 3.089 20 0 GGADMN CCCn1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc2ccccc21 ZINC000189780840 1432233697 /nfs/dbraw/zinc/23/36/97/1432233697.db2.gz XCCODBAJZUNJKA-UHFFFAOYSA-N 0 1 391.519 3.128 20 0 GGADMN COc1cc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc(OC)c1 ZINC000189781609 1432233710 /nfs/dbraw/zinc/23/37/10/1432233710.db2.gz WYNRDYLFEGFWGE-FQEVSTJZSA-N 0 1 390.430 3.263 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189781634 1432233800 /nfs/dbraw/zinc/23/38/00/1432233800.db2.gz QLKPJXFSGXFRIG-KRWDZBQOSA-N 0 1 384.476 3.279 20 0 GGADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc(N2CCCC2)c(F)c1 ZINC000189784919 1432234196 /nfs/dbraw/zinc/23/41/96/1432234196.db2.gz CPBLFHJDNINZDO-UHFFFAOYSA-N 0 1 379.439 3.184 20 0 GGADMN COC[C@H](C)n1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000189784328 1432234345 /nfs/dbraw/zinc/23/43/45/1432234345.db2.gz MFGCQGFKGXTIEK-JKSUJKDBSA-N 0 1 375.473 3.032 20 0 GGADMN COc1cccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1OC ZINC000189783811 1432234473 /nfs/dbraw/zinc/23/44/73/1432234473.db2.gz MIQUFYJTBKSNEL-GOSISDBHSA-N 0 1 390.430 3.263 20 0 GGADMN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N3CCN4CCC3CC4)c2)C1 ZINC000189783082 1432234662 /nfs/dbraw/zinc/23/46/62/1432234662.db2.gz CFUVUIHMWLBIOO-DYESRHJHSA-N 0 1 399.535 3.027 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N(C)CC1(O)CCOCC1 ZINC000189786112 1432235134 /nfs/dbraw/zinc/23/51/34/1432235134.db2.gz IZALCTXXZQHCLI-GOSISDBHSA-N 0 1 382.504 3.078 20 0 GGADMN CN(Cc1cnn(Cc2ccc(F)cc2)c1)C[C@H](O)COCc1ccccc1 ZINC000189792591 1432236670 /nfs/dbraw/zinc/23/66/70/1432236670.db2.gz ZBKBXGOBIGLUAA-QFIPXVFZSA-N 0 1 383.467 3.080 20 0 GGADMN CC(C)[C@@H](CNC(=O)C1(Cc2ccccc2Cl)CC1)N1CCN(C)CC1 ZINC000189793302 1432236855 /nfs/dbraw/zinc/23/68/55/1432236855.db2.gz JEULGPNLQPTITE-LJQANCHMSA-N 0 1 377.960 3.051 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)[C@H]1CC(c2cccnc2)=NO1 ZINC000189810161 1432241586 /nfs/dbraw/zinc/24/15/86/1432241586.db2.gz RIWBAPRBXJBWGY-CYBMUJFWSA-N 0 1 396.628 3.335 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(OC)cc2OC(F)F)N(C)C)c1 ZINC000189833833 1432248360 /nfs/dbraw/zinc/24/83/60/1432248360.db2.gz WCKBDXYQZBXGAG-QGZVFWFLSA-N 0 1 394.418 3.338 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC2 ZINC000189848085 1432252134 /nfs/dbraw/zinc/25/21/34/1432252134.db2.gz UZJJSMJVMYSVFV-UONOGXRCSA-N 0 1 395.912 3.184 20 0 GGADMN COC[C@@H](C)n1ccc(NCc2c(Cl)cccc2N2CCN(C)CC2)n1 ZINC000189866832 1432257481 /nfs/dbraw/zinc/25/74/81/1432257481.db2.gz JQPNMNCTXCPPHQ-OAHLLOKOSA-N 0 1 377.920 3.108 20 0 GGADMN CS(=O)(=O)c1cc(NC(=O)N2CCCN(C3CCCC3)CC2)ccc1Cl ZINC000189876617 1432260182 /nfs/dbraw/zinc/26/01/82/1432260182.db2.gz XBADVPOSMFCZNM-UHFFFAOYSA-N 0 1 399.944 3.226 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(Br)o1)c1ccc(F)cc1 ZINC000189881248 1432261588 /nfs/dbraw/zinc/26/15/88/1432261588.db2.gz AUEUROKCZVIEDT-AWEZNQCLSA-N 0 1 384.249 3.283 20 0 GGADMN CC(C)(O)CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C1CC1 ZINC000189891430 1432265131 /nfs/dbraw/zinc/26/51/31/1432265131.db2.gz TUBXFCNXTQGOEH-INIZCTEOSA-N 0 1 387.505 3.254 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H]2CC(c3cccnc3)=NO2)[nH]1 ZINC000189900268 1432267480 /nfs/dbraw/zinc/26/74/80/1432267480.db2.gz YTHGFNNNBNWWQP-QGZVFWFLSA-N 0 1 376.420 3.122 20 0 GGADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC(C)(C)O)[C@H](C)C2)c(Cl)c1 ZINC000189924661 1432275679 /nfs/dbraw/zinc/27/56/79/1432275679.db2.gz QTCVPGXHGAHROO-HZPDHXFCSA-N 0 1 381.948 3.061 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2ccncc2C)N2CCCCC2)cc1 ZINC000189948728 1432286362 /nfs/dbraw/zinc/28/63/62/1432286362.db2.gz BIIHGQZZEXKJOA-NRFANRHFSA-N 0 1 382.508 3.425 20 0 GGADMN CC(C)c1cccc2c1CCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C2 ZINC000189949978 1432287146 /nfs/dbraw/zinc/28/71/46/1432287146.db2.gz NATBNDKIQOENIV-QFIPXVFZSA-N 0 1 386.584 3.150 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000189952567 1432287680 /nfs/dbraw/zinc/28/76/80/1432287680.db2.gz OJGYUCATXNYHPS-ZJOUEHCJSA-N 0 1 383.492 3.494 20 0 GGADMN Cc1cc(-c2noc([C@@H](C)N3CCN(CC(C)(C)O)[C@H](C)C3)n2)ccc1F ZINC000189954006 1432288296 /nfs/dbraw/zinc/28/82/96/1432288296.db2.gz TXHPWNZQKQHJOT-HUUCEWRRSA-N 0 1 376.476 3.022 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000189960416 1432290462 /nfs/dbraw/zinc/29/04/62/1432290462.db2.gz ZPHHHEFCZOIDMJ-FUHWJXTLSA-N 0 1 387.524 3.013 20 0 GGADMN CC[C@]1(CO)CCCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)C1 ZINC000189967949 1432292067 /nfs/dbraw/zinc/29/20/67/1432292067.db2.gz GXCVKJDQUICPES-UGKGYDQZSA-N 0 1 389.540 3.026 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC[C@@]12CCOC2=O)c1ccccc1Cl ZINC000189969173 1432292524 /nfs/dbraw/zinc/29/25/24/1432292524.db2.gz ZQJIVWUQTVXIFN-XLIONFOSSA-N 0 1 393.915 3.214 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@@]12CCOC2=O)c1ccccc1Cl ZINC000189969157 1432292689 /nfs/dbraw/zinc/29/26/89/1432292689.db2.gz ZQJIVWUQTVXIFN-PXNSSMCTSA-N 0 1 393.915 3.214 20 0 GGADMN CCSc1cc(CNC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)ccn1 ZINC000189971632 1432294123 /nfs/dbraw/zinc/29/41/23/1432294123.db2.gz ZSAKOOHDDLKGCX-SFHVURJKSA-N 0 1 388.537 3.304 20 0 GGADMN CCSc1cc(CNC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)ccn1 ZINC000189971648 1432294200 /nfs/dbraw/zinc/29/42/00/1432294200.db2.gz ZSAKOOHDDLKGCX-GOSISDBHSA-N 0 1 388.537 3.304 20 0 GGADMN CSc1cccc(C(=O)Nc2nc(Br)ccc2O)c1[N+](=O)[O-] ZINC000189979883 1432296097 /nfs/dbraw/zinc/29/60/97/1432296097.db2.gz ZDOHBJOILIZDDQ-UHFFFAOYSA-N 0 1 384.211 3.432 20 0 GGADMN Cc1ccc2ncc(CN(C)[C@@H](C)c3cccc(N4CCCS4(=O)=O)c3)n2c1 ZINC000189982082 1432298141 /nfs/dbraw/zinc/29/81/41/1432298141.db2.gz QKHSNGFJMKUDRC-KRWDZBQOSA-N 0 1 398.532 3.376 20 0 GGADMN CCOC(=O)[C@@](C)(CN[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000189985146 1432299952 /nfs/dbraw/zinc/29/99/52/1432299952.db2.gz YVYYLKOUVDIZRG-JTSKRJEESA-N 0 1 378.476 3.439 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2ccc(SC(F)F)cc2)C1(C)C ZINC000190002445 1432302304 /nfs/dbraw/zinc/30/23/04/1432302304.db2.gz PFVDIQANWVDEKE-KSSFIOAISA-N 0 1 388.480 3.096 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2ccc(SC(F)F)cc2)C1(C)C ZINC000190002476 1432302629 /nfs/dbraw/zinc/30/26/29/1432302629.db2.gz PFVDIQANWVDEKE-KBXCAEBGSA-N 0 1 388.480 3.096 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2ccccc2Cc2ccccc2)C1(C)C ZINC000190018116 1432305731 /nfs/dbraw/zinc/30/57/31/1432305731.db2.gz HSIDGWGAQPPFMT-URXFXBBRSA-N 0 1 396.531 3.372 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(O)c(C)c1 ZINC000190027838 1432307496 /nfs/dbraw/zinc/30/74/96/1432307496.db2.gz OIVMDGSCCZMVLZ-UHFFFAOYSA-N 0 1 384.480 3.495 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2CC)n[nH]1 ZINC000190030733 1432307910 /nfs/dbraw/zinc/30/79/10/1432307910.db2.gz MKPSMCRSIQBOKL-UHFFFAOYSA-N 0 1 387.827 3.240 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)n[nH]1 ZINC000190030367 1432307946 /nfs/dbraw/zinc/30/79/46/1432307946.db2.gz HGTGIHFANVLMLB-UHFFFAOYSA-N 0 1 381.436 3.456 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000190029421 1432307983 /nfs/dbraw/zinc/30/79/83/1432307983.db2.gz PRZUGCNHFBWJAV-INIZCTEOSA-N 0 1 377.366 3.110 20 0 GGADMN Cn1ccc2cccc(NC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c21 ZINC000190048086 1432310687 /nfs/dbraw/zinc/31/06/87/1432310687.db2.gz NSQFKKFIGVDZMU-CTNGQTDRSA-N 0 1 392.503 3.183 20 0 GGADMN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc(F)cc2[nH]cnc21 ZINC000190057866 1432312277 /nfs/dbraw/zinc/31/22/77/1432312277.db2.gz RVVOHPPJLMRSMM-UHFFFAOYSA-N 0 1 376.395 3.083 20 0 GGADMN CC(C)(O)C(=O)NNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000190066555 1432313765 /nfs/dbraw/zinc/31/37/65/1432313765.db2.gz BZHMBFPFPPZMGI-UHFFFAOYSA-N 0 1 381.668 3.393 20 0 GGADMN Cc1ccc(Br)nc1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000190070618 1432314250 /nfs/dbraw/zinc/31/42/50/1432314250.db2.gz NLHAYYNIZDSMCZ-CQSZACIVSA-N 0 1 380.261 3.324 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cc4nnc5n4CCC5)cc3)[nH]n2)o1 ZINC000190071636 1432314301 /nfs/dbraw/zinc/31/43/01/1432314301.db2.gz JCZHJFJNKFWJCV-UHFFFAOYSA-N 0 1 388.431 3.359 20 0 GGADMN COC(=O)[C@@H](C)N(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C1CCC1 ZINC000190072802 1432314665 /nfs/dbraw/zinc/31/46/65/1432314665.db2.gz UGDMPJRPCHQBTJ-QGZVFWFLSA-N 0 1 398.507 3.234 20 0 GGADMN O=C1C[C@H](N2CCC([C@H]3CCCO3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000190080901 1432316313 /nfs/dbraw/zinc/31/63/13/1432316313.db2.gz BRGFWUNPYKHXAD-LEWJYISDSA-N 0 1 378.472 3.363 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000190085566 1432317142 /nfs/dbraw/zinc/31/71/42/1432317142.db2.gz KJGJLPPEAONXCD-GOSISDBHSA-N 0 1 388.556 3.376 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccccc2N2CCCCCC2)CCN1CC(C)(C)O ZINC000190085537 1432317176 /nfs/dbraw/zinc/31/71/76/1432317176.db2.gz RRBYVYUGHJIBOC-SFHVURJKSA-N 0 1 388.556 3.376 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCc2c(O)cccc21 ZINC000190112256 1432321688 /nfs/dbraw/zinc/32/16/88/1432321688.db2.gz MUWJCXFWSIBSIX-QFIPXVFZSA-N 0 1 393.531 3.141 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000190118163 1432322730 /nfs/dbraw/zinc/32/27/30/1432322730.db2.gz OAQMUEAEPQCWTP-INIZCTEOSA-N 0 1 375.513 3.317 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCN1CC(C)(C)O ZINC000190118082 1432322866 /nfs/dbraw/zinc/32/28/66/1432322866.db2.gz QIZBDMOFKNXLKM-MRXNPFEDSA-N 0 1 375.513 3.317 20 0 GGADMN CC(C)[C@H](CNC(=O)NCCCCCc1ccc(F)cc1)N1CCN(C)CC1 ZINC000190128331 1432324414 /nfs/dbraw/zinc/32/44/14/1432324414.db2.gz NBBJRXKYDBAKAG-NRFANRHFSA-N 0 1 392.563 3.110 20 0 GGADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1C[C@H](C)O[C@H](CO)C1 ZINC000190131877 1432325521 /nfs/dbraw/zinc/32/55/21/1432325521.db2.gz NBZGQWFQJJJUEP-HOCLYGCPSA-N 0 1 382.932 3.265 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCN1CC(C)(C)O ZINC000190135486 1432326176 /nfs/dbraw/zinc/32/61/76/1432326176.db2.gz YPURMCUPHVRVLY-INIZCTEOSA-N 0 1 375.513 3.317 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000190140319 1432327012 /nfs/dbraw/zinc/32/70/12/1432327012.db2.gz FNUZCHIRRCDYJR-AWEZNQCLSA-N 0 1 383.920 3.438 20 0 GGADMN Cc1csc(-c2ccc(NC(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)cc2)n1 ZINC000190163802 1432331189 /nfs/dbraw/zinc/33/11/89/1432331189.db2.gz LKICEVCJOPXFHW-OAHLLOKOSA-N 0 1 388.537 3.427 20 0 GGADMN CC[C@]1(C)CN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CCO1 ZINC000190168166 1432332157 /nfs/dbraw/zinc/33/21/57/1432332157.db2.gz HLKQTEHIPNYTJL-TZIWHRDSSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCN1CC(C)(C)O ZINC000190174556 1432333582 /nfs/dbraw/zinc/33/35/82/1432333582.db2.gz PIGZLHZGIGNLSJ-NSHDSACASA-N 0 1 377.382 3.153 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000190176387 1432334107 /nfs/dbraw/zinc/33/41/07/1432334107.db2.gz VREFCTNKUFTKPM-OAHLLOKOSA-N 0 1 393.576 3.245 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCN1CC(C)(C)O ZINC000190186257 1432336415 /nfs/dbraw/zinc/33/64/15/1432336415.db2.gz ZINUFJNOKNCONW-HNNXBMFYSA-N 0 1 394.947 3.249 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000190190260 1432336947 /nfs/dbraw/zinc/33/69/47/1432336947.db2.gz WQMUNTOPGBHSLR-AWEZNQCLSA-N 0 1 388.512 3.434 20 0 GGADMN Clc1cnc(N2CCN(CC3CCC4(CC3)OCCO4)CC2)c(Cl)c1 ZINC000190191787 1432337275 /nfs/dbraw/zinc/33/72/75/1432337275.db2.gz UQWCIMSQIBNXBV-UHFFFAOYSA-N 0 1 386.323 3.444 20 0 GGADMN CC(C)(O)CN(C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C1CC1 ZINC000190196824 1432338678 /nfs/dbraw/zinc/33/86/78/1432338678.db2.gz UXYLXGBZVMPGBO-GOSISDBHSA-N 0 1 379.932 3.422 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190197769 1432338735 /nfs/dbraw/zinc/33/87/35/1432338735.db2.gz BFFPDSIXDJPAHT-AWEZNQCLSA-N 0 1 383.920 3.436 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CCN1CC(C)(C)O ZINC000190197542 1432338809 /nfs/dbraw/zinc/33/88/09/1432338809.db2.gz UNSRUPJJAPLQLF-MRXNPFEDSA-N 0 1 384.480 3.183 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000190204756 1432340349 /nfs/dbraw/zinc/34/03/49/1432340349.db2.gz IBWLTZPCJXMSBN-KRWDZBQOSA-N 0 1 389.540 3.455 20 0 GGADMN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000190215607 1432342685 /nfs/dbraw/zinc/34/26/85/1432342685.db2.gz IRDWPONTJQJHKE-SECBINFHSA-N 0 1 394.357 3.058 20 0 GGADMN O=C(NCc1ccc(C(=O)Nc2ccncc2)cc1)c1[nH]nc2c1CCCCC2 ZINC000190221681 1432343866 /nfs/dbraw/zinc/34/38/66/1432343866.db2.gz MLQFZMILJXWXAM-UHFFFAOYSA-N 0 1 389.459 3.256 20 0 GGADMN COC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000190239911 1432347115 /nfs/dbraw/zinc/34/71/15/1432347115.db2.gz XRYQMGQQLLIZBY-RTWAWAEBSA-N 0 1 387.499 3.328 20 0 GGADMN COC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000190239890 1432347285 /nfs/dbraw/zinc/34/72/85/1432347285.db2.gz XRYQMGQQLLIZBY-LEWJYISDSA-N 0 1 387.499 3.328 20 0 GGADMN O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1[nH]nc2c1CCCCC2 ZINC000190242503 1432347557 /nfs/dbraw/zinc/34/75/57/1432347557.db2.gz CCFFNRRKDQVUPM-UHFFFAOYSA-N 0 1 389.459 3.256 20 0 GGADMN O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cn[nH]c1C1CC1 ZINC000190250487 1432348887 /nfs/dbraw/zinc/34/88/87/1432348887.db2.gz RVYQBGVSVAFTAM-UHFFFAOYSA-N 0 1 399.458 3.436 20 0 GGADMN CN(C)Cc1cc(CNC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)ccc1F ZINC000190268993 1432351330 /nfs/dbraw/zinc/35/13/30/1432351330.db2.gz HOFHFTOSIHSRJX-RXVVDRJESA-N 0 1 385.483 3.464 20 0 GGADMN O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000190274680 1432352052 /nfs/dbraw/zinc/35/20/52/1432352052.db2.gz YALJGLFSIGPBHO-UHFFFAOYSA-N 0 1 376.420 3.256 20 0 GGADMN Cc1ccc(C(=O)N2CCC(NC(=O)c3[nH]nc4c3CCCCC4)CC2)cc1 ZINC000190275258 1432352369 /nfs/dbraw/zinc/35/23/69/1432352369.db2.gz PEXOAYLXNMCYRK-UHFFFAOYSA-N 0 1 380.492 3.022 20 0 GGADMN CN(CCNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)Cc1ccc(F)cc1 ZINC000190303291 1432356617 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Cc1nc(COc2ccc(C=CC(=O)NC3(c4nnc[nH]4)CCC3)cc2)cs1 ZINC000190370296 1432368436 /nfs/dbraw/zinc/36/84/36/1432368436.db2.gz YBXKTVBCNXLUNM-VMPITWQZSA-N 0 1 395.488 3.357 20 0 GGADMN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000190370650 1432368604 /nfs/dbraw/zinc/36/86/04/1432368604.db2.gz CAEJNTNIZTZMKZ-UHFFFAOYSA-N 0 1 383.395 3.286 20 0 GGADMN Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000190374582 1432369395 /nfs/dbraw/zinc/36/93/95/1432369395.db2.gz OUQGPUYLUMRIDG-UHFFFAOYSA-N 0 1 397.435 3.306 20 0 GGADMN Cc1nc(COc2cccc(C=CC(=O)NC3(c4nnc[nH]4)CCC3)c2)cs1 ZINC000190374585 1432369488 /nfs/dbraw/zinc/36/94/88/1432369488.db2.gz ANPFISKANLCXDQ-VOTSOKGWSA-N 0 1 395.488 3.357 20 0 GGADMN COc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(OC(F)F)c1 ZINC000190384151 1432371251 /nfs/dbraw/zinc/37/12/51/1432371251.db2.gz VRLMHBNZNUUNSC-UHFFFAOYSA-N 0 1 391.418 3.086 20 0 GGADMN CCC1(CC)CCCN(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000190412781 1432376872 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GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000190494926 1432392520 /nfs/dbraw/zinc/39/25/20/1432392520.db2.gz DZOAOBRIYGRGBC-SDNWHVSQSA-N 0 1 392.496 3.199 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C1 ZINC000190501660 1432393708 /nfs/dbraw/zinc/39/37/08/1432393708.db2.gz WQUHCLVWCNUFSN-WOJBJXKFSA-N 0 1 385.552 3.345 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000190517584 1432396700 /nfs/dbraw/zinc/39/67/00/1432396700.db2.gz IIEILDACFIDXTA-KRWDZBQOSA-N 0 1 385.483 3.419 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3[nH]nc4c3CCCCC4)ccc2NC1=O ZINC000190562132 1432407341 /nfs/dbraw/zinc/40/73/41/1432407341.db2.gz AXFSIPBOFWZUHY-YVEFUNNKSA-N 0 1 382.464 3.279 20 0 GGADMN O=C(NC[C@@H]1CC[C@H](O)C1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000190572528 1432409943 /nfs/dbraw/zinc/40/99/43/1432409943.db2.gz WLLNPHJZAZTMRX-AEFFLSMTSA-N 0 1 379.932 3.012 20 0 GGADMN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000190571616 1432410190 /nfs/dbraw/zinc/41/01/90/1432410190.db2.gz BDDGLMSNBBRUSQ-UHFFFAOYSA-N 0 1 384.524 3.227 20 0 GGADMN O=C(NC[C@H]1CC[C@H](O)C1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000190572547 1432410523 /nfs/dbraw/zinc/41/05/23/1432410523.db2.gz WLLNPHJZAZTMRX-WMZOPIPTSA-N 0 1 379.932 3.012 20 0 GGADMN O=C(CCOCC(F)(F)C(F)F)NC[C@H](c1ccco1)N1CCCCC1 ZINC000190575132 1432411261 /nfs/dbraw/zinc/41/12/61/1432411261.db2.gz DZCBDHSHISYZDY-CYBMUJFWSA-N 0 1 380.382 3.230 20 0 GGADMN C=CCc1cc(OC)cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000190580186 1432412160 /nfs/dbraw/zinc/41/21/60/1432412160.db2.gz QCFCPCPRJIVLTP-NRFANRHFSA-N 0 1 380.488 3.362 20 0 GGADMN C=CCc1cc(OC)cc(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000190580186 1432412167 /nfs/dbraw/zinc/41/21/67/1432412167.db2.gz QCFCPCPRJIVLTP-NRFANRHFSA-N 0 1 380.488 3.362 20 0 GGADMN O=C(CCOCC(F)(F)C(F)(F)F)NC[C@@H](c1ccco1)N1CCCC1 ZINC000190601607 1432416900 /nfs/dbraw/zinc/41/69/00/1432416900.db2.gz WZNMLMYMVPEDSE-LBPRGKRZSA-N 0 1 384.345 3.137 20 0 GGADMN Cc1ccc(C)c(Sc2ccc(NC(=O)C(=O)N(C)Cc3nnc[nH]3)cc2)c1 ZINC000190619875 1432422703 /nfs/dbraw/zinc/42/27/03/1432422703.db2.gz XHFKZLHKEMGFAV-UHFFFAOYSA-N 0 1 395.488 3.170 20 0 GGADMN COc1ccc(-c2n[nH]c(CNS(=O)(=O)c3ccccc3C(C)C)n2)cc1 ZINC000190654448 1432432018 /nfs/dbraw/zinc/43/20/18/1432432018.db2.gz QKEMNKOJDJWXGO-UHFFFAOYSA-N 0 1 386.477 3.082 20 0 GGADMN COc1ccc(-c2nc(CNS(=O)(=O)c3ccccc3C(C)C)n[nH]2)cc1 ZINC000190654448 1432432032 /nfs/dbraw/zinc/43/20/32/1432432032.db2.gz QKEMNKOJDJWXGO-UHFFFAOYSA-N 0 1 386.477 3.082 20 0 GGADMN CCc1n[nH]c(C2CCN([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 ZINC000190658748 1432433811 /nfs/dbraw/zinc/43/38/11/1432433811.db2.gz YLAVFRQIMIHODK-MRXNPFEDSA-N 0 1 391.878 3.145 20 0 GGADMN COc1ccc([C@H](CNCc2nccn2-c2ccccc2)[NH+](C)C)cc1OC ZINC000190683625 1432441519 /nfs/dbraw/zinc/44/15/19/1432441519.db2.gz XNSOTVBXEZEXTF-IBGZPJMESA-N 0 1 380.492 3.282 20 0 GGADMN CCc1n[nH]c(C2CCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)n1 ZINC000190700381 1432447044 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GGADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H](O)COCc2ccccc2Cl)C1 ZINC000190732304 1432460477 /nfs/dbraw/zinc/46/04/77/1432460477.db2.gz OCSPFWBRDXCMMF-SJORKVTESA-N 0 1 398.931 3.207 20 0 GGADMN CCc1nn(C)c(CC)c1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000190735200 1432461988 /nfs/dbraw/zinc/46/19/88/1432461988.db2.gz GDIIEUYHPHWCFE-UHFFFAOYSA-N 0 1 386.565 3.275 20 0 GGADMN CC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000190761185 1432470254 /nfs/dbraw/zinc/47/02/54/1432470254.db2.gz DRMPNMVHBMCSAN-UHFFFAOYSA-N 0 1 383.467 3.487 20 0 GGADMN C[C@H]1CN(CCCNC(=O)N(Cc2c(F)cccc2F)C2CC2)C[C@H](C)O1 ZINC000190763958 1432470599 /nfs/dbraw/zinc/47/05/99/1432470599.db2.gz NVXICTAPEATUDT-GJZGRUSLSA-N 0 1 381.467 3.138 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(Cc2c(F)cccc2F)C2CC2)C[C@@H](C)O1 ZINC000190763972 1432470774 /nfs/dbraw/zinc/47/07/74/1432470774.db2.gz NVXICTAPEATUDT-HUUCEWRRSA-N 0 1 381.467 3.138 20 0 GGADMN COCCN(C)c1ccc(CNCc2ccc(N3CCC(C)CC3)nc2)cn1 ZINC000190778912 1432476146 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CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC000190829843 1432498537 /nfs/dbraw/zinc/49/85/37/1432498537.db2.gz UAGKUOWQYBTAGT-UHFFFAOYSA-N 0 1 386.540 3.271 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(N(C)CCOC)nc2)c1 ZINC000190834701 1432499848 /nfs/dbraw/zinc/49/98/48/1432499848.db2.gz JJBKPZIVXILSQF-QGZVFWFLSA-N 0 1 384.524 3.439 20 0 GGADMN N#Cc1ccc(CN2CC[C@@H](NCc3ccc([N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000190838137 1432502075 /nfs/dbraw/zinc/50/20/75/1432502075.db2.gz JWBDWXFPYWSIND-QGZVFWFLSA-N 0 1 384.823 3.011 20 0 GGADMN COc1ccc2c(c1NC(=O)c1cccc(CN3CCN(C)CC3)c1)CCC2 ZINC000190846468 1432505598 /nfs/dbraw/zinc/50/55/98/1432505598.db2.gz UCTSJYZMTRIBBF-UHFFFAOYSA-N 0 1 379.504 3.184 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc3ccn(C)c32)cc(F)c1F ZINC000190850765 1432507031 /nfs/dbraw/zinc/50/70/31/1432507031.db2.gz KGNWSALXLXBZCT-UHFFFAOYSA-N 0 1 380.372 3.044 20 0 GGADMN O[C@H](CNCc1nccn1-c1ccccc1)COc1ccc(C(F)(F)F)cc1 ZINC000190868099 1432513824 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20 0 GGADMN CC(C)(C)n1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)nn1 ZINC000190901501 1432524622 /nfs/dbraw/zinc/52/46/22/1432524622.db2.gz ROHPIACHNLHCTA-UHFFFAOYSA-N 0 1 398.511 3.100 20 0 GGADMN Cc1cc(CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc(C)c1O ZINC000190904859 1432525815 /nfs/dbraw/zinc/52/58/15/1432525815.db2.gz AIXIUASDCQCOSH-KRWDZBQOSA-N 0 1 383.496 3.136 20 0 GGADMN CCOC(=O)C1CCC(O)(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC1 ZINC000190913701 1432528152 /nfs/dbraw/zinc/52/81/52/1432528152.db2.gz HRBPAUXZAXPBNA-DFPSAMBMSA-N 0 1 379.472 3.072 20 0 GGADMN O=S(=O)(NC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1)c1cccs1 ZINC000190930600 1432531867 /nfs/dbraw/zinc/53/18/67/1432531867.db2.gz GTDWODUBFFJVKO-QGZVFWFLSA-N 0 1 398.594 3.373 20 0 GGADMN CCC[C@H](NCc1ccc(N(C)CC)nc1)C(=O)N1CCc2sccc2C1 ZINC000190931732 1432532145 /nfs/dbraw/zinc/53/21/45/1432532145.db2.gz FGSPAWOYFMCFTL-SFHVURJKSA-N 0 1 386.565 3.442 20 0 GGADMN CS(=O)(=O)Nc1cccc2c1CCN(C[C@H]1CCC3(CCCCC3)O1)C2 ZINC000190945376 1432535371 /nfs/dbraw/zinc/53/53/71/1432535371.db2.gz PRBMDZJGTTWOAK-QGZVFWFLSA-N 0 1 378.538 3.298 20 0 GGADMN CCCCc1cc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)n[nH]1 ZINC000190957136 1432537689 /nfs/dbraw/zinc/53/76/89/1432537689.db2.gz VFZKROPFBMOWCI-UHFFFAOYSA-N 0 1 376.367 3.143 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cn(C(C)(C)C)nn2)CC1 ZINC000190959174 1432538057 /nfs/dbraw/zinc/53/80/57/1432538057.db2.gz MNBMUQVINOLIFV-INIZCTEOSA-N 0 1 388.535 3.165 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cn(C(C)(C)C)nn2)CC1 ZINC000190959156 1432538172 /nfs/dbraw/zinc/53/81/72/1432538172.db2.gz MNBMUQVINOLIFV-MRXNPFEDSA-N 0 1 388.535 3.165 20 0 GGADMN CCc1c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)[nH]c(C)c1C(C)=O ZINC000190962750 1432538703 /nfs/dbraw/zinc/53/87/03/1432538703.db2.gz RUGNXQFUNAOTJG-IBGZPJMESA-N 0 1 397.519 3.109 20 0 GGADMN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccn(C2CCCC2)n1 ZINC000190964808 1432539036 /nfs/dbraw/zinc/53/90/36/1432539036.db2.gz XARSOVYIWGVTRY-FQEVSTJZSA-N 0 1 382.508 3.019 20 0 GGADMN CCOC(=O)c1ccc(-n2ccnc2)c(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000190971199 1432540371 /nfs/dbraw/zinc/54/03/71/1432540371.db2.gz XTNUTRGLAJVJOF-UHFFFAOYSA-N 0 1 385.445 3.158 20 0 GGADMN COc1cc2c(cc1NC(=O)CN(C)C1(CO)CCOCC1)oc1ccccc12 ZINC000190980211 1432542383 /nfs/dbraw/zinc/54/23/83/1432542383.db2.gz NFRHVJMKRUUSFT-UHFFFAOYSA-N 0 1 398.459 3.006 20 0 GGADMN NC(=O)c1ccccc1CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000190983544 1432543249 /nfs/dbraw/zinc/54/32/49/1432543249.db2.gz LPQHLFGDVHTXEN-UHFFFAOYSA-N 0 1 397.438 3.419 20 0 GGADMN NC(=O)c1ccccc1CC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000190983544 1432543254 /nfs/dbraw/zinc/54/32/54/1432543254.db2.gz LPQHLFGDVHTXEN-UHFFFAOYSA-N 0 1 397.438 3.419 20 0 GGADMN COCCN(C)c1ccc(CNCc2ccnc(N3CCCCCC3)c2)cn1 ZINC000190983699 1432543332 /nfs/dbraw/zinc/54/33/32/1432543332.db2.gz DELWVYHEZCDPCP-UHFFFAOYSA-N 0 1 383.540 3.229 20 0 GGADMN CN(CC(=O)Nc1ccccc1Sc1ccccc1)C1(CO)CCOCC1 ZINC000190998563 1432546323 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0 GGADMN N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000191170621 1432582222 /nfs/dbraw/zinc/58/22/22/1432582222.db2.gz YLOMZJQZLUJPKL-UHFFFAOYSA-N 0 1 387.642 3.481 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191123888 1432572312 /nfs/dbraw/zinc/57/23/12/1432572312.db2.gz BZKGNNXILDIBMV-UHFFFAOYSA-N 0 1 384.386 3.434 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000191138147 1432574966 /nfs/dbraw/zinc/57/49/66/1432574966.db2.gz WIRXDPVXSJKQTO-JYJNAYRXSA-N 0 1 379.501 3.082 20 0 GGADMN C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC000191140488 1432575472 /nfs/dbraw/zinc/57/54/72/1432575472.db2.gz XNDPWTBCFYHBDQ-KEYYUXOJSA-N 0 1 381.492 3.094 20 0 GGADMN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000191154526 1432578036 /nfs/dbraw/zinc/57/80/36/1432578036.db2.gz PUMZJXXXSSGFLZ-MSOLQXFVSA-N 0 1 389.540 3.270 20 0 GGADMN C[C@H](C(=O)N1CCC(Oc2ccc(F)nc2)CC1)N1CCc2ccccc2C1 ZINC000191158050 1432578587 /nfs/dbraw/zinc/57/85/87/1432578587.db2.gz FMTAMBVQYUWLML-MRXNPFEDSA-N 0 1 383.467 3.037 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCC(CN2CCOCC2)CC1)Cc1ccccc1 ZINC000191165410 1432580207 /nfs/dbraw/zinc/58/02/07/1432580207.db2.gz YAPMSPHGLJRCKM-QFIPXVFZSA-N 0 1 387.568 3.255 20 0 GGADMN CCN(C)c1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cn1 ZINC000191191848 1432587424 /nfs/dbraw/zinc/58/74/24/1432587424.db2.gz ZZIIKZSIVHWYTJ-UHFFFAOYSA-N 0 1 396.491 3.117 20 0 GGADMN C[C@@H]1CC[C@H](CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)O1 ZINC000191201336 1432589987 /nfs/dbraw/zinc/58/99/87/1432589987.db2.gz PUGYYSNZMZINIQ-ZWNOBZJWSA-N 0 1 390.900 3.362 20 0 GGADMN CC1(C)CN(C(=O)c2c[nH]c(=O)c3ccccc23)CCN1Cc1ccccc1 ZINC000191228864 1432597282 /nfs/dbraw/zinc/59/72/82/1432597282.db2.gz JWWNWGKSAMBQDS-UHFFFAOYSA-N 0 1 375.472 3.265 20 0 GGADMN CC1(C)CN(C(=O)CC2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000191235417 1432599419 /nfs/dbraw/zinc/59/94/19/1432599419.db2.gz CBHXXZXHFOTJMO-UHFFFAOYSA-N 0 1 386.536 3.433 20 0 GGADMN CC1(C)CN(C(=O)CC2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000191235417 1432599424 /nfs/dbraw/zinc/59/94/24/1432599424.db2.gz CBHXXZXHFOTJMO-UHFFFAOYSA-N 0 1 386.536 3.433 20 0 GGADMN CCN(C)c1ccc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)cn1 ZINC000191250969 1432605387 /nfs/dbraw/zinc/60/53/87/1432605387.db2.gz HABBSDNCLUOMCH-UHFFFAOYSA-N 0 1 382.508 3.397 20 0 GGADMN O[C@H](CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1)COC1CCOCC1 ZINC000191251690 1432605915 /nfs/dbraw/zinc/60/59/15/1432605915.db2.gz ITJAOKQKHNPOJN-CYBMUJFWSA-N 0 1 393.833 3.494 20 0 GGADMN CC1(C)NC(=O)N(CCNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1=O ZINC000191251556 1432605991 /nfs/dbraw/zinc/60/59/91/1432605991.db2.gz UNVWIBSPSHQMRS-UHFFFAOYSA-N 0 1 389.805 3.268 20 0 GGADMN CC(C)N(C)c1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)cn1 ZINC000191274671 1432617278 /nfs/dbraw/zinc/61/72/78/1432617278.db2.gz UAALRNOLHCGDCB-UHFFFAOYSA-N 0 1 388.478 3.013 20 0 GGADMN O=C(c1c(F)cccc1F)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191282114 1432620554 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COc1cccc(Cl)c1CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000191345046 1432637598 /nfs/dbraw/zinc/63/75/98/1432637598.db2.gz WOHQKTCLMRVPPU-UHFFFAOYSA-N 0 1 388.899 3.207 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccnc(F)c2F)CC1 ZINC000191346853 1432637804 /nfs/dbraw/zinc/63/78/04/1432637804.db2.gz JLSFQDUALBSURQ-UHFFFAOYSA-N 0 1 380.826 3.407 20 0 GGADMN CC[C@H]1CN(C(=O)CC2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000191356261 1432640399 /nfs/dbraw/zinc/64/03/99/1432640399.db2.gz KBFMCVNGQFCDHQ-NRFANRHFSA-N 0 1 386.536 3.433 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3cnn(C(C)C)c3C)C2=O)c1 ZINC000191374990 1432644863 /nfs/dbraw/zinc/64/48/63/1432644863.db2.gz VRFHXYQHEFQSRY-JLTOFOAXSA-N 0 1 386.496 3.246 20 0 GGADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000191375328 1432644879 /nfs/dbraw/zinc/64/48/79/1432644879.db2.gz NFYDOGDOKKMOFG-DLBZAZTESA-N 0 1 380.510 3.305 20 0 GGADMN COCCN(C)c1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cn1 ZINC000191389605 1432648854 /nfs/dbraw/zinc/64/88/54/1432648854.db2.gz RCOPKRVNELQLGJ-IBGZPJMESA-N 0 1 385.483 3.398 20 0 GGADMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191392921 1432650283 /nfs/dbraw/zinc/65/02/83/1432650283.db2.gz JZFAGENIYFAYLS-UHFFFAOYSA-N 0 1 393.802 3.051 20 0 GGADMN O=C(O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccc(-n2ccnc2)nc1 ZINC000191394317 1432650882 /nfs/dbraw/zinc/65/08/82/1432650882.db2.gz UOHGYBWPHFQYDL-NRFANRHFSA-N 0 1 388.471 3.187 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2c(O)ccc(Cl)c2F)c1 ZINC000191396974 1432652086 /nfs/dbraw/zinc/65/20/86/1432652086.db2.gz PBIYSDHEJYMQTR-MRXNPFEDSA-N 0 1 377.847 3.247 20 0 GGADMN Cc1ccc(-n2cc(NC(=O)CSc3n[nH]c(=S)s3)cn2)c(C)c1 ZINC000191401028 1432653828 /nfs/dbraw/zinc/65/38/28/1432653828.db2.gz BWTHYACKCHGWOC-UHFFFAOYSA-N 0 1 377.520 3.360 20 0 GGADMN CC(C)(C)n1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)nn1 ZINC000191429907 1432660201 /nfs/dbraw/zinc/66/02/01/1432660201.db2.gz WGJAQCZDCBCRGE-UHFFFAOYSA-N 0 1 389.931 3.329 20 0 GGADMN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1[nH]nc2c1CCCCC2 ZINC000191435179 1432661209 /nfs/dbraw/zinc/66/12/09/1432661209.db2.gz WGGGVKWGGIQUPM-UHFFFAOYSA-N 0 1 380.492 3.235 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@]1(CO)CC(C)C ZINC000191485878 1432669758 /nfs/dbraw/zinc/66/97/58/1432669758.db2.gz WUGVYIJCRNDNLP-JOCHJYFZSA-N 0 1 388.556 3.152 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)CCS2 ZINC000191500148 1432673730 /nfs/dbraw/zinc/67/37/30/1432673730.db2.gz BERGBABLDSMALK-SFHVURJKSA-N 0 1 392.546 3.272 20 0 GGADMN Cc1c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cnn1C(C)(C)C ZINC000191502878 1432674269 /nfs/dbraw/zinc/67/42/69/1432674269.db2.gz OIBGCHDZQXSUOM-DYESRHJHSA-N 0 1 398.551 3.067 20 0 GGADMN CCN(C)c1ccc(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000191519193 1432677721 /nfs/dbraw/zinc/67/77/21/1432677721.db2.gz BMLFKBDGANIIGD-KRWDZBQOSA-N 0 1 376.863 3.225 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC3CCN(CC(F)(F)F)CC3)n2)c1 ZINC000191567256 1432685006 /nfs/dbraw/zinc/68/50/06/1432685006.db2.gz MEQJOVDUWGGJDA-LBPRGKRZSA-N 0 1 384.402 3.423 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1ccccc1OC(F)F)c1cccs1 ZINC000191569560 1432685260 /nfs/dbraw/zinc/68/52/60/1432685260.db2.gz NXVJWRUKEJZMIF-AWEZNQCLSA-N 0 1 383.464 3.494 20 0 GGADMN O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ncoc1-c1ccc(F)cc1 ZINC000191596108 1432689028 /nfs/dbraw/zinc/68/90/28/1432689028.db2.gz QQFKLLBEGZUZMU-UHFFFAOYSA-N 0 1 388.786 3.278 20 0 GGADMN CC(C)(C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(Cl)cc1F ZINC000191599160 1432689775 /nfs/dbraw/zinc/68/97/75/1432689775.db2.gz XNVLWPMVURVPFL-OAHLLOKOSA-N 0 1 382.907 3.328 20 0 GGADMN Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)NCc1ccc(Cl)cc1 ZINC000191609848 1432692168 /nfs/dbraw/zinc/69/21/68/1432692168.db2.gz SAXXZCAEQNEDBC-UHFFFAOYSA-N 0 1 384.823 3.448 20 0 GGADMN O=C(NCc1ccc(Cl)cc1)NNC(=O)c1cn[nH]c1-c1ccccc1F ZINC000191609728 1432692249 /nfs/dbraw/zinc/69/22/49/1432692249.db2.gz SKIROCVQPQTAEA-UHFFFAOYSA-N 0 1 387.802 3.013 20 0 GGADMN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(c2ccncc2)CC1 ZINC000191610428 1432692586 /nfs/dbraw/zinc/69/25/86/1432692586.db2.gz SXCOJOKUNKBAQZ-KRWDZBQOSA-N 0 1 376.504 3.490 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(N(C)C(C)C)nc2)cc1 ZINC000191615723 1432693709 /nfs/dbraw/zinc/69/37/09/1432693709.db2.gz BSBMXCWPQMLOCF-KRWDZBQOSA-N 0 1 375.538 3.187 20 0 GGADMN CCc1nn(C)cc1CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000191632398 1432696656 /nfs/dbraw/zinc/69/66/56/1432696656.db2.gz DGMNHFJIEIPHPM-UHFFFAOYSA-N 0 1 381.480 3.421 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(-c3ccncc3)cc2F)C1=O ZINC000191636270 1432697395 /nfs/dbraw/zinc/69/73/95/1432697395.db2.gz QCSBAWPUVIMYLU-HXUWFJFHSA-N 0 1 393.466 3.389 20 0 GGADMN CCc1c(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)cnn1-c1ccccc1C ZINC000191636552 1432697469 /nfs/dbraw/zinc/69/74/69/1432697469.db2.gz DOGSYALDMFNVKV-SFHVURJKSA-N 0 1 399.539 3.221 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2cnc(-c3ccccc3)s2)C1=O ZINC000191639661 1432698271 /nfs/dbraw/zinc/69/82/71/1432698271.db2.gz PMZBTSDVKLNZDN-KRWDZBQOSA-N 0 1 381.505 3.312 20 0 GGADMN O=C(CN1CCC(c2ccncc2)CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000191643962 1432699146 /nfs/dbraw/zinc/69/91/46/1432699146.db2.gz JQOMBWHSAQZPLF-UHFFFAOYSA-N 0 1 393.409 3.476 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(OC(F)F)c(Cl)c2)C1=O ZINC000191645962 1432699580 /nfs/dbraw/zinc/69/95/80/1432699580.db2.gz OCZZNACCHWKNNK-CQSZACIVSA-N 0 1 398.841 3.443 20 0 GGADMN COc1cc(OC)c(NC(=O)CN2CCC[C@]2(CO)CC(C)C)cc1Cl ZINC000191650703 1432700500 /nfs/dbraw/zinc/70/05/00/1432700500.db2.gz RITRBEVLJCCOIN-LJQANCHMSA-N 0 1 384.904 3.169 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(c3ccncc3)CC2)cc1F ZINC000191668863 1432702889 /nfs/dbraw/zinc/70/28/89/1432702889.db2.gz FYXUVLBHEQIQCA-INIZCTEOSA-N 0 1 385.483 3.456 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)CC2)N2CCCC2)cc1 ZINC000191673900 1432703191 /nfs/dbraw/zinc/70/31/91/1432703191.db2.gz LHNYHKFPDDNLNW-LPHOPBHVSA-N 0 1 377.554 3.369 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1Cl ZINC000191684234 1432705478 /nfs/dbraw/zinc/70/54/78/1432705478.db2.gz BKPKILHLUGNQBF-QGZVFWFLSA-N 0 1 377.920 3.499 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191744825 1432716596 /nfs/dbraw/zinc/71/65/96/1432716596.db2.gz LEZRZUQFWOAHOO-IBGZPJMESA-N 0 1 397.544 3.470 20 0 GGADMN CSc1ccccc1NC(=O)CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191744825 1432716601 /nfs/dbraw/zinc/71/66/01/1432716601.db2.gz LEZRZUQFWOAHOO-IBGZPJMESA-N 0 1 397.544 3.470 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191744809 1432716681 /nfs/dbraw/zinc/71/66/81/1432716681.db2.gz LEZRZUQFWOAHOO-LJQANCHMSA-N 0 1 397.544 3.470 20 0 GGADMN CSc1ccccc1NC(=O)CCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191744809 1432716686 /nfs/dbraw/zinc/71/66/86/1432716686.db2.gz LEZRZUQFWOAHOO-LJQANCHMSA-N 0 1 397.544 3.470 20 0 GGADMN CN(CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191752792 1432718106 /nfs/dbraw/zinc/71/81/06/1432718106.db2.gz NTXACLBFMUUMIW-IBGZPJMESA-N 0 1 385.895 3.402 20 0 GGADMN COC(=O)c1cc2cc(CN(C)[C@@H]3CCN(Cc4ccccc4)C3=O)ccc2o1 ZINC000191759378 1432719503 /nfs/dbraw/zinc/71/95/03/1432719503.db2.gz QKKJWJQXTPQTEW-LJQANCHMSA-N 0 1 392.455 3.452 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N(Cc1c(F)cccc1F)C1CC1 ZINC000191773899 1432722453 /nfs/dbraw/zinc/72/24/53/1432722453.db2.gz MDEDAUQTFJZQSZ-UHFFFAOYSA-N 0 1 387.411 3.295 20 0 GGADMN CN(CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191778924 1432723936 /nfs/dbraw/zinc/72/39/36/1432723936.db2.gz FOGKWBXULWQIQG-IBGZPJMESA-N 0 1 385.895 3.402 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC(F)F ZINC000191798144 1432727601 /nfs/dbraw/zinc/72/76/01/1432727601.db2.gz WCTLLGFOAXSLAI-QGZVFWFLSA-N 0 1 390.430 3.496 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000191798154 1432727683 /nfs/dbraw/zinc/72/76/83/1432727683.db2.gz CSSLFZHMHCMTGY-UHFFFAOYSA-N 0 1 386.227 3.170 20 0 GGADMN Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Br)ccc3[O-])C2=O)cc1 ZINC000191801154 1432728072 /nfs/dbraw/zinc/72/80/72/1432728072.db2.gz HFWZNOXHFVKTNS-KRWDZBQOSA-N 0 1 389.293 3.354 20 0 GGADMN Cc1ccc(CN2CC[C@@H](NCc3ccc(Oc4cnccn4)cc3)C2=O)cc1 ZINC000191802037 1432728614 /nfs/dbraw/zinc/72/86/14/1432728614.db2.gz APHGCTQYZGHTOM-OAQYLSRUSA-N 0 1 388.471 3.468 20 0 GGADMN Cc1ccc(CN2CC[C@H](NCc3cc(Cl)c4c(c3)OCCO4)C2=O)cc1 ZINC000191809896 1432730362 /nfs/dbraw/zinc/73/03/62/1432730362.db2.gz CYBJNUSUUXKOFT-SFHVURJKSA-N 0 1 386.879 3.310 20 0 GGADMN CC(C)(C)n1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000191815477 1432731779 /nfs/dbraw/zinc/73/17/79/1432731779.db2.gz JALAZWQZOVJXRA-HNNXBMFYSA-N 0 1 395.429 3.056 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000191833752 1432735725 /nfs/dbraw/zinc/73/57/25/1432735725.db2.gz OYZGXUMSEAIKEM-MOPGFXCFSA-N 0 1 381.520 3.192 20 0 GGADMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)n1 ZINC000191841722 1432737725 /nfs/dbraw/zinc/73/77/25/1432737725.db2.gz AIXPTGDPWDORPE-UHFFFAOYSA-N 0 1 394.456 3.436 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Oc3cccc(-c4ncn(C)n4)c3)[nH]2)c1 ZINC000191849168 1432739262 /nfs/dbraw/zinc/73/92/62/1432739262.db2.gz MKGRLBCKSIILAE-UHFFFAOYSA-N 0 1 389.415 3.408 20 0 GGADMN COc1ccc([C@@H](C)N(C)CCN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000191865588 1432742823 /nfs/dbraw/zinc/74/28/23/1432742823.db2.gz RXGXWJVZBPRFKS-QGZVFWFLSA-N 0 1 376.522 3.150 20 0 GGADMN C[C@@H](c1nnnn1C1CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000191883411 1432746340 /nfs/dbraw/zinc/74/63/40/1432746340.db2.gz UFJIBZRHNTWRIF-SFHVURJKSA-N 0 1 388.519 3.476 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1n[nH]c2c1CCCCC2 ZINC000191928998 1432758038 /nfs/dbraw/zinc/75/80/38/1432758038.db2.gz LVASEDPOIVOUOB-UHFFFAOYSA-N 0 1 397.523 3.081 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)NCCc1nc2ccccc2s1 ZINC000191940207 1432760861 /nfs/dbraw/zinc/76/08/61/1432760861.db2.gz ZMWPNPMPYUGFBK-UTKZUKDTSA-N 0 1 381.501 3.075 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc(N2CCCCC2)nc1 ZINC000191939798 1432761117 /nfs/dbraw/zinc/76/11/17/1432761117.db2.gz DIFBJYUVYGTIMY-KNQAVFIVSA-N 0 1 380.492 3.130 20 0 GGADMN Cc1cccc(C[C@H](CO)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000191948723 1432764052 /nfs/dbraw/zinc/76/40/52/1432764052.db2.gz VFJUJWNBTMESGE-JOCHJYFZSA-N 0 1 399.510 3.001 20 0 GGADMN CCOC(=O)[C@H](c1cccc(Cl)c1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000191957725 1432767400 /nfs/dbraw/zinc/76/74/00/1432767400.db2.gz JDAXYZWSHHGGQX-BEFAXECRSA-N 0 1 380.916 3.129 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccnc(Br)c2)[nH]1 ZINC000191963414 1432768837 /nfs/dbraw/zinc/76/88/37/1432768837.db2.gz VEKIWCJMQRAATA-UHFFFAOYSA-N 0 1 395.257 3.339 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)[nH]1 ZINC000191964308 1432769261 /nfs/dbraw/zinc/76/92/61/1432769261.db2.gz FLKCTOMINIQSFS-PBWFPOADSA-N 0 1 375.469 3.263 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)CCc2nnc(C(C)C)o2)[nH]1 ZINC000191964963 1432769413 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CCOc1c(Cl)cccc1CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000192333104 1432833174 /nfs/dbraw/zinc/83/31/74/1432833174.db2.gz OKCMDUCPBHHVRP-UHFFFAOYSA-N 0 1 387.911 3.457 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cncc(Cl)n2)cc1 ZINC000192335099 1432833184 /nfs/dbraw/zinc/83/31/84/1432833184.db2.gz YJJODPBJRXRALI-UHFFFAOYSA-N 0 1 387.871 3.197 20 0 GGADMN COc1ccccc1-c1nc(C2CCN([C@H](C)C(=O)N(C)C(C)C)CC2)no1 ZINC000192337367 1432833379 /nfs/dbraw/zinc/83/33/79/1432833379.db2.gz BWFNNEPQGBMBIQ-OAHLLOKOSA-N 0 1 386.496 3.180 20 0 GGADMN CC(C)c1c(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cnn1-c1ccccc1 ZINC000192340775 1432833860 /nfs/dbraw/zinc/83/38/60/1432833860.db2.gz ACXYXAUMLUPGDK-GOSISDBHSA-N 0 1 397.523 3.182 20 0 GGADMN COc1ccccc1-c1nc(C2CCN([C@H](C)C(=O)N3CCCCC3)CC2)no1 ZINC000192343255 1432834258 /nfs/dbraw/zinc/83/42/58/1432834258.db2.gz XTUBMQNMYSPQIK-MRXNPFEDSA-N 0 1 398.507 3.326 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192346076 1432834391 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GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCS[C@@H](C)CC1)N1CCCC1 ZINC000192425443 1432843644 /nfs/dbraw/zinc/84/36/44/1432843644.db2.gz XPKMBOIBDJECQG-FUHWJXTLSA-N 0 1 377.554 3.369 20 0 GGADMN C[C@H](NC(=O)N1CCS[C@@H](C)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192427345 1432843898 /nfs/dbraw/zinc/84/38/98/1432843898.db2.gz YHNHIMLAVACRIO-HOTGVXAUSA-N 0 1 394.560 3.176 20 0 GGADMN CC(C)(C)OC(=O)CCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000192443494 1432845252 /nfs/dbraw/zinc/84/52/52/1432845252.db2.gz YJQFMYLTQFWJJV-INIZCTEOSA-N 0 1 384.480 3.300 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1 ZINC000192448561 1432845809 /nfs/dbraw/zinc/84/58/09/1432845809.db2.gz UPZCWUCRJIQSED-HNNXBMFYSA-N 0 1 398.265 3.490 20 0 GGADMN CCCc1cnc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000192449026 1432845934 /nfs/dbraw/zinc/84/59/34/1432845934.db2.gz PIDMFWVVZIEHGA-CQSZACIVSA-N 0 1 392.550 3.049 20 0 GGADMN CC(C)c1cnc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)s1 ZINC000192449022 1432845965 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CC(C)N(Cc1sccc1Cl)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000194325505 1433161748 /nfs/dbraw/zinc/16/17/48/1433161748.db2.gz ZEVRTXOEXCEVRF-OAHLLOKOSA-N 0 1 396.940 3.080 20 0 GGADMN Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(=O)oc4cc([O-])ccc34)CC2)nc1 ZINC000194329654 1433162383 /nfs/dbraw/zinc/16/23/83/1433162383.db2.gz NXKGPYMQHMKCNI-UHFFFAOYSA-N 0 1 393.443 3.053 20 0 GGADMN COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(OCCC(C)C)CC2)cc1 ZINC000194339622 1433163823 /nfs/dbraw/zinc/16/38/23/1433163823.db2.gz UQZFQKZTTASXDE-QGZVFWFLSA-N 0 1 390.524 3.005 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000194352963 1433165990 /nfs/dbraw/zinc/16/59/90/1433165990.db2.gz KXCGEZGMCJHGMO-KRWDZBQOSA-N 0 1 378.476 3.462 20 0 GGADMN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc2[nH]nnc2c1 ZINC000194375662 1433168924 /nfs/dbraw/zinc/16/89/24/1433168924.db2.gz UVPHABRSLLORGO-UHFFFAOYSA-N 0 1 389.390 3.279 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194381510 1433169532 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O=C(NCc1cccc2cccnc21)NC1CCN(Cc2ccncc2)CC1 ZINC000194571275 1433199361 /nfs/dbraw/zinc/19/93/61/1433199361.db2.gz PFPPFTMVYIHSSS-UHFFFAOYSA-N 0 1 375.476 3.094 20 0 GGADMN CN1CCN(c2ccc(NS(=O)(=O)Cc3cc(Cl)ccc3F)cc2)CC1 ZINC000194572816 1433199713 /nfs/dbraw/zinc/19/97/13/1433199713.db2.gz FLXQNBJAZXYSQY-UHFFFAOYSA-N 0 1 397.903 3.173 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000194575890 1433200156 /nfs/dbraw/zinc/20/01/56/1433200156.db2.gz MEXQRKDXOQTZQO-LSDHHAIUSA-N 0 1 393.601 3.052 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000194575921 1433200243 /nfs/dbraw/zinc/20/02/43/1433200243.db2.gz MEXQRKDXOQTZQO-CABCVRRESA-N 0 1 393.601 3.052 20 0 GGADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000194586401 1433202077 /nfs/dbraw/zinc/20/20/77/1433202077.db2.gz XSNGZEAOZAKODG-UHFFFAOYSA-N 0 1 387.396 3.174 20 0 GGADMN CC(=O)NCc1ccc(C(=O)CSc2nc(Cc3ccccc3)n[nH]2)s1 ZINC000194586415 1433202090 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CC[C@@H](c1ccncc1)N(CC)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000194789330 1433232469 /nfs/dbraw/zinc/23/24/69/1433232469.db2.gz JLAFTWUGBSCZJS-KRWDZBQOSA-N 0 1 382.489 3.080 20 0 GGADMN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000194803716 1433236282 /nfs/dbraw/zinc/23/62/82/1433236282.db2.gz XAXLZSJCBZYJHT-UHFFFAOYSA-N 0 1 384.386 3.444 20 0 GGADMN O=C(Nc1cnc(-c2ccccc2)nc1)NC1CCN(Cc2ccccn2)CC1 ZINC000194808998 1433237369 /nfs/dbraw/zinc/23/73/69/1433237369.db2.gz BFSLHNLSJJFFSE-UHFFFAOYSA-N 0 1 388.475 3.325 20 0 GGADMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000194810993 1433237758 /nfs/dbraw/zinc/23/77/58/1433237758.db2.gz OOWRYRKAVKHVNJ-UHFFFAOYSA-N 0 1 389.521 3.031 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000194811652 1433237988 /nfs/dbraw/zinc/23/79/88/1433237988.db2.gz SERCMZLHOMRIJS-JOCHJYFZSA-N 0 1 391.515 3.202 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)NCc2nc3ccc(C)cc3[nH]2)c1C ZINC000194815222 1433239269 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Cc1ccc(/C=C\S(=O)(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC000207272604 1433354388 /nfs/dbraw/zinc/35/43/88/1433354388.db2.gz DXVRNOXZHQUVMX-QINSGFPZSA-N 0 1 376.497 3.498 20 0 GGADMN COc1cccc([C@@H](CNC(=O)/C=C\c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000207654089 1433354870 /nfs/dbraw/zinc/35/48/70/1433354870.db2.gz UBGGEQRCMNZNJW-LEVJEWGPSA-N 0 1 384.476 3.145 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000209253142 1433355868 /nfs/dbraw/zinc/35/58/68/1433355868.db2.gz MSRXKJJCMZDVGF-ILXRZTDVSA-N 0 1 378.432 3.456 20 0 GGADMN COc1ccc(/C=C\C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000212592281 1433358512 /nfs/dbraw/zinc/35/85/12/1433358512.db2.gz ILTVLTMSOGLHPO-JYRVWZFOSA-N 0 1 380.488 3.452 20 0 GGADMN COc1ccccc1[C@@H](C)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000215965316 1433362696 /nfs/dbraw/zinc/36/26/96/1433362696.db2.gz YDFYIDQYDZFBOQ-MRXNPFEDSA-N 0 1 387.911 3.348 20 0 GGADMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CN1CCC(C)CC1 ZINC000216435958 1433363634 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Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000228516669 1433371489 /nfs/dbraw/zinc/37/14/89/1433371489.db2.gz RVGFFDJQMOTCEQ-JYJNAYRXSA-N 0 1 385.508 3.321 20 0 GGADMN O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc2c(c1)CCO2 ZINC000231688814 1433373215 /nfs/dbraw/zinc/37/32/15/1433373215.db2.gz QFVRTPVTBWLWMZ-UHFFFAOYSA-N 0 1 389.658 3.233 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)cc1F ZINC000232226291 1433373257 /nfs/dbraw/zinc/37/32/57/1433373257.db2.gz NKQLFKFTXKDBDK-UHFFFAOYSA-N 0 1 395.637 3.446 20 0 GGADMN O=C1[C@H](NCc2cc3c(c(Br)c2)OCO3)CCN1c1ccccc1 ZINC000236656922 1433375582 /nfs/dbraw/zinc/37/55/82/1433375582.db2.gz DTZDTIUGXFMYDK-OAHLLOKOSA-N 0 1 389.249 3.073 20 0 GGADMN CC(C)(C)c1ccc(CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000236678379 1433375903 /nfs/dbraw/zinc/37/59/03/1433375903.db2.gz QSZBQDVHOLOVQR-QFIPXVFZSA-N 0 1 390.531 3.415 20 0 GGADMN CC(C)(C)c1ccc(-c2ccc(CNCCN3CCCS3(=O)=O)o2)cc1 ZINC000236709234 1433376769 /nfs/dbraw/zinc/37/67/69/1433376769.db2.gz UKYPQMKNRKKNTK-UHFFFAOYSA-N 0 1 376.522 3.369 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000236717851 1433376830 /nfs/dbraw/zinc/37/68/30/1433376830.db2.gz IGWAXTIYWAUDQE-OAHLLOKOSA-N 0 1 396.553 3.297 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000236721594 1433376914 /nfs/dbraw/zinc/37/69/14/1433376914.db2.gz PELRPZIWDKDHMI-GOSISDBHSA-N 0 1 390.505 3.089 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000236720001 1433377006 /nfs/dbraw/zinc/37/70/06/1433377006.db2.gz BSBFZBYASSJUNB-SFHVURJKSA-N 0 1 390.505 3.089 20 0 GGADMN Cc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000236743903 1433377607 /nfs/dbraw/zinc/37/76/07/1433377607.db2.gz FQSJXPKMUZXTGH-QGZVFWFLSA-N 0 1 375.494 3.108 20 0 GGADMN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)[C@@H]3NCCc4ccccc43)cc21 ZINC000236772761 1433378337 /nfs/dbraw/zinc/37/83/37/1433378337.db2.gz DKKJLHQGIMMNAY-HXUWFJFHSA-N 0 1 393.487 3.284 20 0 GGADMN CCCOc1cccc(CN[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1 ZINC000236771131 1433378391 /nfs/dbraw/zinc/37/83/91/1433378391.db2.gz VMFMWRNSAVCUFX-OAQYLSRUSA-N 0 1 384.476 3.388 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000236795083 1433378926 /nfs/dbraw/zinc/37/89/26/1433378926.db2.gz KNDLPPSUDDCCQI-KRWDZBQOSA-N 0 1 395.912 3.371 20 0 GGADMN Cc1cc(-c2cc(C(=O)N3CCNCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000236814622 1433379697 /nfs/dbraw/zinc/37/96/97/1433379697.db2.gz ASLNMYXDUYZWHS-UHFFFAOYSA-N 0 1 383.521 3.403 20 0 GGADMN Cc1cc(-c2cc(C(=O)N3CCNC[C@H]3C)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000236815006 1433379760 /nfs/dbraw/zinc/37/97/60/1433379760.db2.gz HGCVMDJJBXVWMD-CYBMUJFWSA-N 0 1 381.480 3.323 20 0 GGADMN CCC([NH3+])(CC)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000236831707 1433380452 /nfs/dbraw/zinc/38/04/52/1433380452.db2.gz RSDDIIMEFHOPAW-UHFFFAOYSA-N 0 1 389.521 3.043 20 0 GGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000236849676 1433380959 /nfs/dbraw/zinc/38/09/59/1433380959.db2.gz DTCVKABZPWNATK-CYBMUJFWSA-N 0 1 378.856 3.401 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000236849676 1433380960 /nfs/dbraw/zinc/38/09/60/1433380960.db2.gz DTCVKABZPWNATK-CYBMUJFWSA-N 0 1 378.856 3.401 20 0 GGADMN CCCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000236852871 1433381008 /nfs/dbraw/zinc/38/10/08/1433381008.db2.gz WDBNLARXGCVYIW-KRWDZBQOSA-N 0 1 375.494 3.252 20 0 GGADMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000236858335 1433381150 /nfs/dbraw/zinc/38/11/50/1433381150.db2.gz RYKSZBXPVUYWDL-OAHLLOKOSA-N 0 1 379.457 3.483 20 0 GGADMN CCOc1cc(CNCc2cnc(N3CCOCC3)s2)ccc1OC(F)F ZINC000236877114 1433381707 /nfs/dbraw/zinc/38/17/07/1433381707.db2.gz ZGZHDSCCPYKBOG-UHFFFAOYSA-N 0 1 399.463 3.270 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H](N)Cc1ccccc1 ZINC000236912162 1433382979 /nfs/dbraw/zinc/38/29/79/1433382979.db2.gz ADQWJWXXONJDNA-MRXNPFEDSA-N 0 1 393.409 3.062 20 0 GGADMN CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000236932762 1433383535 /nfs/dbraw/zinc/38/35/35/1433383535.db2.gz JIFKVIGWHFYYSG-SJCJKPOMSA-N 0 1 395.912 3.453 20 0 GGADMN CCCOc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c(OC(F)F)c1 ZINC000236936380 1433383538 /nfs/dbraw/zinc/38/35/38/1433383538.db2.gz NLECAYGDRUTQPX-SFHVURJKSA-N 0 1 390.430 3.408 20 0 GGADMN CCN(CC)c1ncc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000236951920 1433383817 /nfs/dbraw/zinc/38/38/17/1433383817.db2.gz KUXNVFRWDJBWTP-AWEZNQCLSA-N 0 1 396.582 3.090 20 0 GGADMN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H]1Cc3ccccc3CN1)CC2 ZINC000236960668 1433384135 /nfs/dbraw/zinc/38/41/35/1433384135.db2.gz YATJTBBVGPYTFA-HXUWFJFHSA-N 0 1 380.488 3.083 20 0 GGADMN CCOc1ccc(C2(CNC(=O)[C@H]3NCCc4ccccc43)CCOCC2)cc1 ZINC000236965477 1433384329 /nfs/dbraw/zinc/38/43/29/1433384329.db2.gz YKXXSUPBEJOESM-QFIPXVFZSA-N 0 1 394.515 3.137 20 0 GGADMN CC[C@H](C)NC(=O)CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236977268 1433384597 /nfs/dbraw/zinc/38/45/97/1433384597.db2.gz HLSKNEOGKDECCH-LBPRGKRZSA-N 0 1 379.302 3.234 20 0 GGADMN CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000236983919 1433384872 /nfs/dbraw/zinc/38/48/72/1433384872.db2.gz CNOYWAMQZZJGMC-DIFFPNOSSA-N 0 1 397.447 3.078 20 0 GGADMN CCC[C@H](NCc1cccc(C(N)=O)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000237034632 1433386499 /nfs/dbraw/zinc/38/64/99/1433386499.db2.gz DGFSBQLMRPLIIC-NRFANRHFSA-N 0 1 394.519 3.283 20 0 GGADMN CCN(CC)C(=O)COc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1Cl ZINC000237033824 1433386570 /nfs/dbraw/zinc/38/65/70/1433386570.db2.gz CMDUDRIELRRKLX-LJQANCHMSA-N 0 1 389.883 3.226 20 0 GGADMN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc21 ZINC000237056565 1433387367 /nfs/dbraw/zinc/38/73/67/1433387367.db2.gz CFESWYDZUNGVPV-FQEVSTJZSA-N 0 1 392.503 3.018 20 0 GGADMN CCOc1cc(CN(C)C(=O)[C@@H]2Cc3ccccc3CN2)ccc1OC(F)F ZINC000237071126 1433387862 /nfs/dbraw/zinc/38/78/62/1433387862.db2.gz IVTUKXFFJIPUOT-KRWDZBQOSA-N 0 1 390.430 3.360 20 0 GGADMN COc1ccccc1N1CC[C@@H](NCc2ccc(Br)cc2)C1=O ZINC000237096484 1433389024 /nfs/dbraw/zinc/38/90/24/1433389024.db2.gz MCWOKYBJMCSMDO-OAHLLOKOSA-N 0 1 375.266 3.353 20 0 GGADMN COC(=O)CCSCc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2)c1 ZINC000237160608 1433391135 /nfs/dbraw/zinc/39/11/35/1433391135.db2.gz FYGSZGMWULJAEX-LJQANCHMSA-N 0 1 384.501 3.136 20 0 GGADMN COc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1OCc1ccncc1 ZINC000237164060 1433391153 /nfs/dbraw/zinc/39/11/53/1433391153.db2.gz DQWHUMAELHNUHL-LJQANCHMSA-N 0 1 377.444 3.178 20 0 GGADMN COCCNCC(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000237234604 1433393296 /nfs/dbraw/zinc/39/32/96/1433393296.db2.gz LLJBEVQWDONZFC-UHFFFAOYSA-N 0 1 381.398 3.492 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000237269678 1433395053 /nfs/dbraw/zinc/39/50/53/1433395053.db2.gz DLYKFRURGXPTMW-INIZCTEOSA-N 0 1 384.245 3.429 20 0 GGADMN COc1ccc(NC(=O)[C@H]2NCCc3ccccc32)cc1N1CCCCC1=O ZINC000237319011 1433397086 /nfs/dbraw/zinc/39/70/86/1433397086.db2.gz IBVOXPUNIPJRRS-NRFANRHFSA-N 0 1 379.460 3.038 20 0 GGADMN COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1OC1CCCC1 ZINC000237322105 1433397119 /nfs/dbraw/zinc/39/71/19/1433397119.db2.gz JDYJZMYVUGRGON-FQEVSTJZSA-N 0 1 380.488 3.347 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(Cl)c(F)c3)C2=O)c1 ZINC000237349870 1433398581 /nfs/dbraw/zinc/39/85/81/1433398581.db2.gz OOCCNQGSKGGCHS-GOSISDBHSA-N 0 1 378.831 3.391 20 0 GGADMN CSCCc1ccc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000237352663 1433398741 /nfs/dbraw/zinc/39/87/41/1433398741.db2.gz SRBJSNFHGFVOLF-NRFANRHFSA-N 0 1 394.544 3.345 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237384899 1433400065 /nfs/dbraw/zinc/40/00/65/1433400065.db2.gz VMSNDTBQHYMGJQ-PXAZEXFGSA-N 0 1 382.851 3.282 20 0 GGADMN COc1cc2c(c(CNCc3ccccc3CN3CCCC3=O)c1)O[C@H](C)C2 ZINC000237404131 1433401339 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O=C1CCCN1Cc1cccc(CNCc2cnn(-c3ccc(F)cc3)c2)c1 ZINC000237948469 1433436414 /nfs/dbraw/zinc/43/64/14/1433436414.db2.gz OFXNHDANFXTMGQ-UHFFFAOYSA-N 0 1 378.451 3.424 20 0 GGADMN O=C1CCCN1Cc1ccccc1CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000237947053 1433436564 /nfs/dbraw/zinc/43/65/64/1433436564.db2.gz UNPMADLZZCWVSH-UHFFFAOYSA-N 0 1 378.451 3.424 20 0 GGADMN [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000237950520 1433436741 /nfs/dbraw/zinc/43/67/41/1433436741.db2.gz QPZLVDLELWBPHA-TZMCWYRMSA-N 0 1 393.896 3.207 20 0 GGADMN O=C(CCC1CC[NH2+]CC1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000237974092 1433437806 /nfs/dbraw/zinc/43/78/06/1433437806.db2.gz NNDKHOQWRDAOST-UHFFFAOYSA-N 0 1 387.505 3.206 20 0 GGADMN [NH3+]CCCCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000238008905 1433439132 /nfs/dbraw/zinc/43/91/32/1433439132.db2.gz KRFRPZGWWXYHCG-UHFFFAOYSA-N 0 1 375.494 3.335 20 0 GGADMN N[C@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000238008377 1433439213 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/nfs/dbraw/zinc/49/62/48/1433496248.db2.gz NVGYWZGEELIXSC-SFTDATJTSA-N 0 1 394.519 3.031 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245658703 1433496429 /nfs/dbraw/zinc/49/64/29/1433496429.db2.gz FGUCHPJQSBHNLU-KHYOSLBOSA-N 0 1 390.890 3.047 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245658710 1433496450 /nfs/dbraw/zinc/49/64/50/1433496450.db2.gz FGUCHPJQSBHNLU-SPYBWZPUSA-N 0 1 390.890 3.047 20 0 GGADMN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000245659265 1433496515 /nfs/dbraw/zinc/49/65/15/1433496515.db2.gz FKEWTCFXNIPLGO-RTBURBONSA-N 0 1 376.859 3.293 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245658707 1433496571 /nfs/dbraw/zinc/49/65/71/1433496571.db2.gz FGUCHPJQSBHNLU-QMTMVMCOSA-N 0 1 390.890 3.047 20 0 GGADMN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000245659256 1433496582 /nfs/dbraw/zinc/49/65/82/1433496582.db2.gz FKEWTCFXNIPLGO-RBUKOAKNSA-N 0 1 376.859 3.293 20 0 GGADMN CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)[C@H]1CCCO1 ZINC000245666769 1433497092 /nfs/dbraw/zinc/49/70/92/1433497092.db2.gz OLOKDRUKRPBTQS-MOXGXCLJSA-N 0 1 387.524 3.059 20 0 GGADMN CC[C@H](NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2)[C@H]1CCCO1 ZINC000245666769 1433497094 /nfs/dbraw/zinc/49/70/94/1433497094.db2.gz OLOKDRUKRPBTQS-MOXGXCLJSA-N 0 1 387.524 3.059 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245670133 1433497307 /nfs/dbraw/zinc/49/73/07/1433497307.db2.gz RXYRGGSSXLBGLO-ICSRJNTNSA-N 0 1 399.466 3.115 20 0 GGADMN CC(C)CCC(=O)NCC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245674262 1433498122 /nfs/dbraw/zinc/49/81/22/1433498122.db2.gz IOJGQULTHULWQL-QRWLVFNGSA-N 0 1 397.922 3.141 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1)c1c(C)noc1C ZINC000245677478 1433498529 /nfs/dbraw/zinc/49/85/29/1433498529.db2.gz RAJKPWHPFRWOQC-PVAVHDDUSA-N 0 1 387.480 3.019 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@H](CO)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245682538 1433498782 /nfs/dbraw/zinc/49/87/82/1433498782.db2.gz KHAPZDYBKLKGIG-ZIGSKRJUSA-N 0 1 397.922 3.322 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@H]2CC[C@H](CO)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245682538 1433498783 /nfs/dbraw/zinc/49/87/83/1433498783.db2.gz KHAPZDYBKLKGIG-ZIGSKRJUSA-N 0 1 397.922 3.322 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245689062 1433500317 /nfs/dbraw/zinc/50/03/17/1433500317.db2.gz LJGIDJUUXLWKTP-SUMWQHHRSA-N 0 1 396.919 3.470 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)[C@@H]1c1ccccc1 ZINC000245694208 1433501240 /nfs/dbraw/zinc/50/12/40/1433501240.db2.gz XUVUIMHHIQPWAD-PMACEKPBSA-N 0 1 395.503 3.364 20 0 GGADMN CC(C)(O)[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000245696262 1433501863 /nfs/dbraw/zinc/50/18/63/1433501863.db2.gz WVSJNYYHWPSCID-CRAIPNDOSA-N 0 1 387.505 3.254 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1CC(F)(F)F ZINC000245702641 1433502484 /nfs/dbraw/zinc/50/24/84/1433502484.db2.gz NLLMCBGQHQAOAG-HUUCEWRRSA-N 0 1 379.467 3.202 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCC2(O)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245701667 1433502497 /nfs/dbraw/zinc/50/24/97/1433502497.db2.gz NLFWCOMTIHQLKL-WMLDXEAASA-N 0 1 383.895 3.076 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCc2ccncc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245705906 1433503073 /nfs/dbraw/zinc/50/30/73/1433503073.db2.gz OEFCMXLPSRFOOV-MAUKXSAKSA-N 0 1 376.863 3.366 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000245704866 1433503235 /nfs/dbraw/zinc/50/32/35/1433503235.db2.gz DBDBNAUZTVAVJY-GOEBONIOSA-N 0 1 383.496 3.287 20 0 GGADMN CC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CCO1 ZINC000245707740 1433503387 /nfs/dbraw/zinc/50/33/87/1433503387.db2.gz MUYNFGRPTUPWJR-ZIFCJYIRSA-N 0 1 391.531 3.350 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CC[C@]3(CCOC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245707179 1433503423 /nfs/dbraw/zinc/50/34/23/1433503423.db2.gz OKSCLAGWVBSHSS-ZTNFWEORSA-N 0 1 395.906 3.294 20 0 GGADMN Cc1nccc(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000245713398 1433504560 /nfs/dbraw/zinc/50/45/60/1433504560.db2.gz PQIVZCMNVGSJQF-KSSFIOAISA-N 0 1 391.878 3.070 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCOC[C@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245719554 1433505243 /nfs/dbraw/zinc/50/52/43/1433505243.db2.gz QWTWYRJOGDUVAE-AYOQOUSVSA-N 0 1 395.906 3.292 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCOC[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245719550 1433505368 /nfs/dbraw/zinc/50/53/68/1433505368.db2.gz QWTWYRJOGDUVAE-ATZDWAIDSA-N 0 1 395.906 3.292 20 0 GGADMN CC(C)CC(=O)NCCC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245720152 1433505672 /nfs/dbraw/zinc/50/56/72/1433505672.db2.gz QXYXFGXEBHMJEU-QRWLVFNGSA-N 0 1 397.922 3.141 20 0 GGADMN COCCOC[C@H]1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245728495 1433506531 /nfs/dbraw/zinc/50/65/31/1433506531.db2.gz JEOOZYGVKHHUGA-QFBILLFUSA-N 0 1 383.916 3.383 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000245728499 1433506695 /nfs/dbraw/zinc/50/66/95/1433506695.db2.gz JEOOZYGVKHHUGA-VQIMIIECSA-N 0 1 383.916 3.383 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245730893 1433507390 /nfs/dbraw/zinc/50/73/90/1433507390.db2.gz JKQFEFXZGYZDEA-QAPCUYQASA-N 0 1 383.496 3.287 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1nc2ccccc2n1C ZINC000245735573 1433508238 /nfs/dbraw/zinc/50/82/38/1433508238.db2.gz KEAAFXSTFHEQSY-QRWLVFNGSA-N 0 1 377.492 3.196 20 0 GGADMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000245735995 1433508262 /nfs/dbraw/zinc/50/82/62/1433508262.db2.gz DBNMODNAZDAGMC-VQIMIIECSA-N 0 1 384.476 3.149 20 0 GGADMN Cc1ccc2[nH]c([C@@H]3CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C3)nc2c1 ZINC000245736087 1433508347 /nfs/dbraw/zinc/50/83/47/1433508347.db2.gz UTNJBBQLAACGPM-HUUCEWRRSA-N 0 1 385.512 3.064 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C3)[nH]c2c1 ZINC000245736087 1433508350 /nfs/dbraw/zinc/50/83/50/1433508350.db2.gz UTNJBBQLAACGPM-HUUCEWRRSA-N 0 1 385.512 3.064 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245736387 1433508484 /nfs/dbraw/zinc/50/84/84/1433508484.db2.gz KMWQCJYMPWZFIE-QFBILLFUSA-N 0 1 381.524 3.299 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000245736592 1433508509 /nfs/dbraw/zinc/50/85/09/1433508509.db2.gz DETYJEYUJFLOQD-BEFAXECRSA-N 0 1 387.455 3.226 20 0 GGADMN CC(C)NC(=O)CCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245738958 1433508762 /nfs/dbraw/zinc/50/87/62/1433508762.db2.gz VILHNSFBMMIRMM-YWZLYKJASA-N 0 1 397.922 3.283 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000245737850 1433508790 /nfs/dbraw/zinc/50/87/90/1433508790.db2.gz VCYDPFFNCTXURV-KYABYICQSA-N 0 1 383.895 3.339 20 0 GGADMN CC(C)NC(=O)CCCC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245738950 1433509018 /nfs/dbraw/zinc/50/90/18/1433509018.db2.gz VILHNSFBMMIRMM-QRWLVFNGSA-N 0 1 397.922 3.283 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000245746533 1433510493 /nfs/dbraw/zinc/51/04/93/1433510493.db2.gz AHYKRMHRDKQWEV-NSHGMRRFSA-N 0 1 397.544 3.158 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000245746533 1433510501 /nfs/dbraw/zinc/51/05/01/1433510501.db2.gz AHYKRMHRDKQWEV-NSHGMRRFSA-N 0 1 397.544 3.158 20 0 GGADMN CN1CC[C@H](CNC(=O)NC[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245750341 1433511450 /nfs/dbraw/zinc/51/14/50/1433511450.db2.gz XOMZTWZFUPUBBD-JCKWVBRZSA-N 0 1 383.895 3.198 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000245751055 1433511600 /nfs/dbraw/zinc/51/16/00/1433511600.db2.gz OARPLVKRGYAOJC-CXAGYDPISA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000245751055 1433511605 /nfs/dbraw/zinc/51/16/05/1433511605.db2.gz OARPLVKRGYAOJC-CXAGYDPISA-N 0 1 381.480 3.091 20 0 GGADMN C[C@H](Sc1nc2ccccc2s1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000245755806 1433512706 /nfs/dbraw/zinc/51/27/06/1433512706.db2.gz YJPJAFIMNSJQOA-ZNMIVQPWSA-N 0 1 393.578 3.392 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245760346 1433512993 /nfs/dbraw/zinc/51/29/93/1433512993.db2.gz ZKOYSFYVIYBRCA-YJBOKZPZSA-N 0 1 393.894 3.047 20 0 GGADMN CN1CC[C@H](CNC(=O)CCOC[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245762258 1433513017 /nfs/dbraw/zinc/51/30/17/1433513017.db2.gz ZQTOXWMBZYZTPP-JXXFODFXSA-N 0 1 398.906 3.174 20 0 GGADMN CCOC(=O)CCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245762245 1433513181 /nfs/dbraw/zinc/51/31/81/1433513181.db2.gz ZQSOPPWWIVEWBQ-KDOFPFPSSA-N 0 1 399.894 3.114 20 0 GGADMN CN1CC[C@H](CNC(=O)CCOC[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245762254 1433513375 /nfs/dbraw/zinc/51/33/75/1433513375.db2.gz ZQTOXWMBZYZTPP-GQIGUUNPSA-N 0 1 398.906 3.174 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245759689 1433513386 /nfs/dbraw/zinc/51/33/86/1433513386.db2.gz PSAYMRNROJDVIA-IIDMSEBBSA-N 0 1 379.508 3.228 20 0 GGADMN CCC[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000245773680 1433514965 /nfs/dbraw/zinc/51/49/65/1433514965.db2.gz LBEHKRVUVBXLPZ-GIVPXCGWSA-N 0 1 383.536 3.119 20 0 GGADMN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC000245774569 1433515585 /nfs/dbraw/zinc/51/55/85/1433515585.db2.gz OJVNFVXCGJJJSX-JLSDUUJJSA-N 0 1 379.932 3.135 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000245779029 1433516150 /nfs/dbraw/zinc/51/61/50/1433516150.db2.gz TXTKODFDWHXJBH-CRAIPNDOSA-N 0 1 381.900 3.483 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245788044 1433517303 /nfs/dbraw/zinc/51/73/03/1433517303.db2.gz WMIGNWSSCVJBRW-VQIMIIECSA-N 0 1 381.524 3.217 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1ccc(Cl)cc1 ZINC000245788865 1433517578 /nfs/dbraw/zinc/51/75/78/1433517578.db2.gz WTEZGSJKMBLTPG-CZUORRHYSA-N 0 1 387.915 3.392 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245791659 1433518235 /nfs/dbraw/zinc/51/82/35/1433518235.db2.gz XIBAACZEUVGJKQ-WMLDXEAASA-N 0 1 385.487 3.048 20 0 GGADMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000245801121 1433520002 /nfs/dbraw/zinc/52/00/02/1433520002.db2.gz PIDSQGBWEDCUIT-VQIMIIECSA-N 0 1 386.492 3.395 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cc(F)cc(Cl)c1 ZINC000245810822 1433521086 /nfs/dbraw/zinc/52/10/86/1433521086.db2.gz CJIYHOCXGZBVQS-ZWKOTPCHSA-N 0 1 377.847 3.236 20 0 GGADMN C[C@H](SCc1ccccc1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245818183 1433522056 /nfs/dbraw/zinc/52/20/56/1433522056.db2.gz DKOAFGOWYQIZEF-IOMROCGXSA-N 0 1 384.545 3.060 20 0 GGADMN CC[C@H](Sc1ccccc1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245830178 1433522601 /nfs/dbraw/zinc/52/26/01/1433522601.db2.gz GFJIRQNSFVVGGT-SBHAEUEKSA-N 0 1 384.545 3.309 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccccc1N1CCCC1 ZINC000245830655 1433523383 /nfs/dbraw/zinc/52/33/83/1433523383.db2.gz GJBLYLVFJYCORT-VQTJNVASSA-N 0 1 394.519 3.044 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N[C@H](C)c3cccs3)ccc2NC1=O ZINC000245838102 1433524194 /nfs/dbraw/zinc/52/41/94/1433524194.db2.gz BRAWUQLGNIEIGD-IOASZLSFSA-N 0 1 387.505 3.386 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2NC1=O ZINC000245839447 1433524758 /nfs/dbraw/zinc/52/47/58/1433524758.db2.gz CDAKVEHCQXBSEQ-QHNLCMDKSA-N 0 1 387.524 3.388 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cc(-c2ccccc2)on1 ZINC000245840487 1433524818 /nfs/dbraw/zinc/52/48/18/1433524818.db2.gz HRGTYISQRHFWFQ-RBUKOAKNSA-N 0 1 392.459 3.099 20 0 GGADMN Cc1nc(C[C@@H]2CCCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)no1 ZINC000245843935 1433525727 /nfs/dbraw/zinc/52/57/27/1433525727.db2.gz IAQCAPSMMJZUPR-IACKQPPCSA-N 0 1 386.540 3.106 20 0 GGADMN CCC[C@H]1CN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CCN1CCOC ZINC000245849137 1433526097 /nfs/dbraw/zinc/52/60/97/1433526097.db2.gz CPXDARGRNGSVPB-XLIONFOSSA-N 0 1 395.975 3.292 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CCN1CCOC ZINC000245857630 1433527921 /nfs/dbraw/zinc/52/79/21/1433527921.db2.gz DWBQTKRJBFRVMD-IRXDYDNUSA-N 0 1 380.558 3.045 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000245861786 1433529112 /nfs/dbraw/zinc/52/91/12/1433529112.db2.gz PAFVTSSEULTEDW-XGCWNURASA-N 0 1 387.549 3.086 20 0 GGADMN C[C@H](CCc1cccc(F)c1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245864021 1433529504 /nfs/dbraw/zinc/52/95/04/1433529504.db2.gz LDLYPLASTSMINH-VOQZNFBZSA-N 0 1 384.495 3.146 20 0 GGADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(F)cc1F ZINC000245863830 1433529821 /nfs/dbraw/zinc/52/98/21/1433529821.db2.gz LCKDBRUOAKMOTR-ATZDWAIDSA-N 0 1 388.458 3.210 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000245868369 1433530450 /nfs/dbraw/zinc/53/04/50/1433530450.db2.gz LRMTUJFVZNTVJY-ZWKOTPCHSA-N 0 1 393.409 3.462 20 0 GGADMN C[C@@H]1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1C ZINC000245873934 1433531867 /nfs/dbraw/zinc/53/18/67/1433531867.db2.gz HGKMVDPNRDRJAL-ZIAGYGMSSA-N 0 1 385.430 3.080 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N[C@H](C)c3ccccc3)ccc2NC1=O ZINC000245878038 1433532743 /nfs/dbraw/zinc/53/27/43/1433532743.db2.gz MULFETJQHFJJRM-KHYOSLBOSA-N 0 1 381.476 3.324 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)[C@H](C)CC(C)C)ccc2NC1=O ZINC000245880672 1433533042 /nfs/dbraw/zinc/53/30/42/1433533042.db2.gz NONNAALMDIOQPF-VKJFTORMSA-N 0 1 375.513 3.340 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccc(Cl)cc2[nH]1 ZINC000245882667 1433533231 /nfs/dbraw/zinc/53/32/31/1433533231.db2.gz NJUYRHWXMBASFI-ROUUACIJSA-N 0 1 383.879 3.187 20 0 GGADMN O=C(NCc1ccc2ccccc2c1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245884224 1433533960 /nfs/dbraw/zinc/53/39/60/1433533960.db2.gz NPAPRFZLJQRHJS-XZOQPEGZSA-N 0 1 389.499 3.274 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(Cl)cc2cccnc21 ZINC000245896849 1433536484 /nfs/dbraw/zinc/53/64/84/1433536484.db2.gz PKESHKVCVMBNFV-RBUKOAKNSA-N 0 1 395.890 3.253 20 0 GGADMN C[C@@H](NC(=O)CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245902315 1433538452 /nfs/dbraw/zinc/53/84/52/1433538452.db2.gz LNMRODNVPLPKML-SJORKVTESA-N 0 1 375.513 3.053 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000245902915 1433538502 /nfs/dbraw/zinc/53/85/02/1433538502.db2.gz SOXBWWIKRMBVQC-IEBWSBKVSA-N 0 1 375.513 3.438 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCOC[C@H]1C1CC1 ZINC000245907930 1433539523 /nfs/dbraw/zinc/53/95/23/1433539523.db2.gz QXUZZRUCGWYJIS-MSOLQXFVSA-N 0 1 397.441 3.100 20 0 GGADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN[C@H](c1nccn1C)C1CC1 ZINC000245909052 1433540239 /nfs/dbraw/zinc/54/02/39/1433540239.db2.gz UWIAMMJJMNWPHL-BPUTZDHNSA-N 0 1 378.517 3.221 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(OCC2CC2)cc1 ZINC000245912011 1433540761 /nfs/dbraw/zinc/54/07/61/1433540761.db2.gz RIIZLQSYCATIEU-SFTDATJTSA-N 0 1 395.503 3.232 20 0 GGADMN O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245916768 1433542030 /nfs/dbraw/zinc/54/20/30/1433542030.db2.gz SAQGEHLIMBMRGN-OALUTQOASA-N 0 1 397.906 3.115 20 0 GGADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245917744 1433542505 /nfs/dbraw/zinc/54/25/05/1433542505.db2.gz WIJIBBBJWPOWSK-FPOVZHCZSA-N 0 1 397.563 3.289 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)N1CCN(C)CC1 ZINC000245921272 1433543322 /nfs/dbraw/zinc/54/33/22/1433543322.db2.gz MIBPVTPQIODURT-ZRBLBEILSA-N 0 1 379.548 3.332 20 0 GGADMN CC(C)[C@H](CNC(=O)CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)c1ccccc1 ZINC000245924638 1433544123 /nfs/dbraw/zinc/54/41/23/1433544123.db2.gz XHPGUTUSXOQVHU-HJNYFJLDSA-N 0 1 397.563 3.018 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CCN1CCOC ZINC000245925430 1433544389 /nfs/dbraw/zinc/54/43/89/1433544389.db2.gz OLOZPRZPCMZFPI-NVXWUHKLSA-N 0 1 397.947 3.108 20 0 GGADMN CN(C[C@@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000245927016 1433544666 /nfs/dbraw/zinc/54/46/66/1433544666.db2.gz XAVYRWVGIVKOID-QFBILLFUSA-N 0 1 387.524 3.195 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](CN2CCC[C@H]2C(=O)NCc2ccco2)C1 ZINC000245928646 1433544955 /nfs/dbraw/zinc/54/49/55/1433544955.db2.gz XPVZXUQSYHUIFU-AEFFLSMTSA-N 0 1 391.512 3.007 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000245929518 1433545613 /nfs/dbraw/zinc/54/56/13/1433545613.db2.gz YFCYUCZMFJQHRL-YJBOKZPZSA-N 0 1 382.460 3.266 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1F)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245930066 1433545655 /nfs/dbraw/zinc/54/56/55/1433545655.db2.gz YNDIVMLGSKBETN-CVEARBPZSA-N 0 1 393.503 3.019 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 ZINC000245930875 1433545835 /nfs/dbraw/zinc/54/58/35/1433545835.db2.gz VBYDLFVSPIUWFV-BTYIYWSLSA-N 0 1 380.492 3.268 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCCC[C@H]1CCO ZINC000245931091 1433546090 /nfs/dbraw/zinc/54/60/90/1433546090.db2.gz SIAMYCHTMDEIPJ-ROUUACIJSA-N 0 1 399.457 3.226 20 0 GGADMN O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245933691 1433546620 /nfs/dbraw/zinc/54/66/20/1433546620.db2.gz VGKWWISIHYYHNI-SFTDATJTSA-N 0 1 391.515 3.242 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000245933745 1433546775 /nfs/dbraw/zinc/54/67/75/1433546775.db2.gz VGXZXFBBPXEQMK-HOTGVXAUSA-N 0 1 396.384 3.210 20 0 GGADMN O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245936311 1433547226 /nfs/dbraw/zinc/54/72/26/1433547226.db2.gz VTRZKSVTAWXHLC-ZWKOTPCHSA-N 0 1 393.314 3.288 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc2c(c1)OCCO2 ZINC000245935478 1433547501 /nfs/dbraw/zinc/54/75/01/1433547501.db2.gz WYVZHUMKKNEGMK-KXBFYZLASA-N 0 1 381.476 3.081 20 0 GGADMN C[C@@H]1CC(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000245940791 1433547958 /nfs/dbraw/zinc/54/79/58/1433547958.db2.gz QYENPTWZICMGNJ-BDXSIMOUSA-N 0 1 389.540 3.051 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000245939458 1433548013 /nfs/dbraw/zinc/54/80/13/1433548013.db2.gz TWUXXTXVOWNJJK-GGAORHGYSA-N 0 1 391.515 3.100 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000245961848 1433551339 /nfs/dbraw/zinc/55/13/39/1433551339.db2.gz YGZPWAQFYWBLRB-CVDLLHPYSA-N 0 1 399.922 3.230 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)[C@H](C)CO1 ZINC000245975062 1433552585 /nfs/dbraw/zinc/55/25/85/1433552585.db2.gz OOFXQIPRSGSTMT-ONUSSAAZSA-N 0 1 383.895 3.291 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Sc1ccccc1 ZINC000245994356 1433555328 /nfs/dbraw/zinc/55/53/28/1433555328.db2.gz XIMWQGCARDGWSZ-YZGWKJHDSA-N 0 1 399.560 3.102 20 0 GGADMN CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000246001608 1433556703 /nfs/dbraw/zinc/55/67/03/1433556703.db2.gz YGJXITUAWCFCJX-ZLNRFVROSA-N 0 1 380.532 3.253 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000246008492 1433556916 /nfs/dbraw/zinc/55/69/16/1433556916.db2.gz HRSFZYQLBMGUHB-RCCFBDPRSA-N 0 1 392.563 3.312 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000246016753 1433557752 /nfs/dbraw/zinc/55/77/52/1433557752.db2.gz JXMFDWFMMJFOCJ-ULQDDVLXSA-N 0 1 392.519 3.353 20 0 GGADMN O=C(NCc1cccc2ccccc21)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000246013780 1433557966 /nfs/dbraw/zinc/55/79/66/1433557966.db2.gz ZXOJVTOPAZUEMJ-FCHUYYIVSA-N 0 1 389.499 3.274 20 0 GGADMN CCc1cc(N2CCC[C@H](N[C@@H](c3cnn(C)c3)c3cccc(F)c3)C2)ncn1 ZINC000246021216 1433559013 /nfs/dbraw/zinc/55/90/13/1433559013.db2.gz UZUIOYNCRUPLKH-RBBKRZOGSA-N 0 1 394.498 3.260 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000246026257 1433559484 /nfs/dbraw/zinc/55/94/84/1433559484.db2.gz RCCDWLUYPMIXGU-FXAWDEMLSA-N 0 1 392.503 3.327 20 0 GGADMN CCCCCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000246034584 1433559788 /nfs/dbraw/zinc/55/97/88/1433559788.db2.gz POKHQHYZWVHBLV-SJORKVTESA-N 0 1 392.519 3.354 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(SC)cc2)CCN1CCOC ZINC000246057210 1433562444 /nfs/dbraw/zinc/56/24/44/1433562444.db2.gz XZNXJULNRQNRTJ-SJLPKXTDSA-N 0 1 379.570 3.168 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cccc(N3CCCCCC3)c2)CCN1C[C@H](C)O ZINC000246059388 1433563003 /nfs/dbraw/zinc/56/30/03/1433563003.db2.gz AMEXPXVYWZQMLV-AZUAARDMSA-N 0 1 388.556 3.376 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CCN1CCOC ZINC000246066990 1433564065 /nfs/dbraw/zinc/56/40/65/1433564065.db2.gz YZWPHDYYKOIAOA-QKNQBKEWSA-N 0 1 387.568 3.176 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000246079136 1433565277 /nfs/dbraw/zinc/56/52/77/1433565277.db2.gz TTYOJJNTIRIGPV-HBFSDRIKSA-N 0 1 390.524 3.041 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000246088758 1433566788 /nfs/dbraw/zinc/56/67/88/1433566788.db2.gz JDABDEBSBDYAQY-KSZLIROESA-N 0 1 387.480 3.307 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)c2C1 ZINC000246088544 1433566907 /nfs/dbraw/zinc/56/69/07/1433566907.db2.gz HDJCMECXBOFLKD-IAGOWNOFSA-N 0 1 399.535 3.013 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)[C@@H](O)Cc1ccccc1 ZINC000246093286 1433567433 /nfs/dbraw/zinc/56/74/33/1433567433.db2.gz JHABPKXJZJPBAY-SXLOBPIMSA-N 0 1 385.508 3.098 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)[C@H](O)Cc1ccccc1 ZINC000246093269 1433567640 /nfs/dbraw/zinc/56/76/40/1433567640.db2.gz JHABPKXJZJPBAY-DFQSSKMNSA-N 0 1 385.508 3.098 20 0 GGADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[n-]2)C1 ZINC000246106760 1433569742 /nfs/dbraw/zinc/56/97/42/1433569742.db2.gz MRQDWBHJWPBGAN-MOPGFXCFSA-N 0 1 381.524 3.441 20 0 GGADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[n-]2)C1 ZINC000246106760 1433569743 /nfs/dbraw/zinc/56/97/43/1433569743.db2.gz MRQDWBHJWPBGAN-MOPGFXCFSA-N 0 1 381.524 3.441 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H]3CCOC(C)(C)C3)cc2)C[C@@H](C)O1 ZINC000246108060 1433570076 /nfs/dbraw/zinc/57/00/76/1433570076.db2.gz NFEQKGUCVQNJHG-HLIPFELVSA-N 0 1 389.540 3.053 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C[C@H]1C ZINC000246110255 1433570447 /nfs/dbraw/zinc/57/04/47/1433570447.db2.gz ZSTZQYYAPRSPGT-SJORKVTESA-N 0 1 395.503 3.207 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3C[C@H](C)OC(C)(C)C3)c2C1 ZINC000246114550 1433570846 /nfs/dbraw/zinc/57/08/46/1433570846.db2.gz MIYOISPZMLPBOH-JKSUJKDBSA-N 0 1 387.524 3.011 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000246134554 1433573128 /nfs/dbraw/zinc/57/31/28/1433573128.db2.gz JMNGFEKVYQMCFO-KNKQGSTJSA-N 0 1 386.536 3.399 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000246142159 1433573937 /nfs/dbraw/zinc/57/39/37/1433573937.db2.gz DKEKQKIIZWLYFN-KZNAEPCWSA-N 0 1 393.503 3.238 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)NCc3ccccc3C)ccc2NC1=O ZINC000246144417 1433574371 /nfs/dbraw/zinc/57/43/71/1433574371.db2.gz JRYDBPGMGWMBDK-YRNRMSPPSA-N 0 1 395.503 3.460 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2c[nH]c3ccc(Cl)cc23)C[C@@H](C)O1 ZINC000246158034 1433575940 /nfs/dbraw/zinc/57/59/40/1433575940.db2.gz HFBJRTNQEGHIKB-IIDMSEBBSA-N 0 1 389.927 3.464 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)NCc3ccc(C)cc3)ccc2NC1=O ZINC000246160946 1433576484 /nfs/dbraw/zinc/57/64/84/1433576484.db2.gz KSSAWKUHHORICC-QINHECLXSA-N 0 1 395.503 3.460 20 0 GGADMN O=C([C@H](c1ccccc1)N1CCC[C@@H](c2nnc3n2CCC3)C1)N1CCCCC1 ZINC000246163739 1433576620 /nfs/dbraw/zinc/57/66/20/1433576620.db2.gz RIUOAHBUCMJQSJ-CTNGQTDRSA-N 0 1 393.535 3.158 20 0 GGADMN 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1433616015 /nfs/dbraw/zinc/61/60/15/1433616015.db2.gz YVSXFFGCIMQLBZ-UTKZUKDTSA-N 0 1 382.504 3.244 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000246465835 1433616559 /nfs/dbraw/zinc/61/65/59/1433616559.db2.gz OGMHFMPZSPRLTH-QFBILLFUSA-N 0 1 390.915 3.402 20 0 GGADMN CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(OC(C)C)cc3)CC2)n1 ZINC000246468826 1433617121 /nfs/dbraw/zinc/61/71/21/1433617121.db2.gz WPAUNPKOYVRSFQ-KRWDZBQOSA-N 0 1 388.512 3.272 20 0 GGADMN CO[C@@H](C)c1noc(CN2CCCN(Cc3ccc(OC(C)C)cc3)CC2)n1 ZINC000246468826 1433617125 /nfs/dbraw/zinc/61/71/25/1433617125.db2.gz WPAUNPKOYVRSFQ-KRWDZBQOSA-N 0 1 388.512 3.272 20 0 GGADMN CCCCNC(=O)NC(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246477016 1433618908 /nfs/dbraw/zinc/61/89/08/1433618908.db2.gz HGFLDUXCWPZPKM-JKSUJKDBSA-N 0 1 381.542 3.042 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC000246480096 1433619038 /nfs/dbraw/zinc/61/90/38/1433619038.db2.gz GPICOZJMCHYAHO-RYQLBKOJSA-N 0 1 375.538 3.205 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246479383 1433619214 /nfs/dbraw/zinc/61/92/14/1433619214.db2.gz JRBCXFUWRDNIGR-LAUBAEHRSA-N 0 1 383.467 3.306 20 0 GGADMN COc1cc(N[C@@H]2CCCN([C@@H](C(=O)N(C)C)c3ccccc3)C2)cc(OC)c1 ZINC000246481947 1433619508 /nfs/dbraw/zinc/61/95/08/1433619508.db2.gz DFXIYHJSFZKUNV-XMSQKQJNSA-N 0 1 397.519 3.410 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1F ZINC000246487074 1433619788 /nfs/dbraw/zinc/61/97/88/1433619788.db2.gz IDJJPQUQWDXWOJ-SJLPKXTDSA-N 0 1 376.497 3.400 20 0 GGADMN Cc1ccc(CNC(=O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000246487050 1433619873 /nfs/dbraw/zinc/61/98/73/1433619873.db2.gz IDJJPQUQWDXWOJ-FUHWJXTLSA-N 0 1 376.497 3.400 20 0 GGADMN COc1ccccc1CCNC(=O)CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246489211 1433620168 /nfs/dbraw/zinc/62/01/68/1433620168.db2.gz IGWLNYPWRCTSFH-ZWKOTPCHSA-N 0 1 388.533 3.004 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCCC[C@@H](SC)C2)cc1OC ZINC000246492138 1433620446 /nfs/dbraw/zinc/62/04/46/1433620446.db2.gz HDRYSVBNTGJXPU-JKSUJKDBSA-N 0 1 380.554 3.407 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCCC[C@@H](SC)C2)cc1OC ZINC000246492124 1433620591 /nfs/dbraw/zinc/62/05/91/1433620591.db2.gz HDRYSVBNTGJXPU-HZPDHXFCSA-N 0 1 380.554 3.407 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000246494464 1433621043 /nfs/dbraw/zinc/62/10/43/1433621043.db2.gz IRFWLEQLCWUIED-QGFHSMCKSA-N 0 1 391.581 3.028 20 0 GGADMN CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000246514357 1433623879 /nfs/dbraw/zinc/62/38/79/1433623879.db2.gz BVIJALLNOYTPQP-CVEARBPZSA-N 0 1 378.538 3.077 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000246521127 1433624636 /nfs/dbraw/zinc/62/46/36/1433624636.db2.gz FSLGZTPIAMHCOQ-MAUKXSAKSA-N 0 1 399.516 3.440 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000246522415 1433625009 /nfs/dbraw/zinc/62/50/09/1433625009.db2.gz VUFXPVGOXMLQHL-PMVMPFDFSA-N 0 1 396.531 3.062 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000246522401 1433625047 /nfs/dbraw/zinc/62/50/47/1433625047.db2.gz VUFXPVGOXMLQHL-AKIFATBCSA-N 0 1 396.531 3.062 20 0 GGADMN COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)C[C@@H]1C ZINC000246527885 1433625640 /nfs/dbraw/zinc/62/56/40/1433625640.db2.gz JLUNQDXQACYZEH-QLFBSQMISA-N 0 1 385.455 3.100 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)C[C@@H]1C ZINC000246527885 1433625644 /nfs/dbraw/zinc/62/56/44/1433625644.db2.gz JLUNQDXQACYZEH-QLFBSQMISA-N 0 1 385.455 3.100 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000246530625 1433626250 /nfs/dbraw/zinc/62/62/50/1433626250.db2.gz JGRCVHBCYSJZGE-XLAORIBOSA-N 0 1 381.561 3.401 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](Cn2ccnn2)C1)c1cccc2ccccc21 ZINC000246540263 1433628001 /nfs/dbraw/zinc/62/80/01/1433628001.db2.gz CZBIPMHZUUKREF-QZTJIDSGSA-N 0 1 377.492 3.021 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246542702 1433628474 /nfs/dbraw/zinc/62/84/74/1433628474.db2.gz BRSMVKPCHIVFGB-IRXDYDNUSA-N 0 1 379.932 3.020 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000246545532 1433628942 /nfs/dbraw/zinc/62/89/42/1433628942.db2.gz LGNPDTHWYIUCGF-XXBNENTESA-N 0 1 387.568 3.424 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[C@@H]3C)CCO2)n[nH]1 ZINC000246549627 1433629964 /nfs/dbraw/zinc/62/99/64/1433629964.db2.gz QWABVVIOOMUFBM-GNCDUGFZSA-N 0 1 389.887 3.247 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC000246552022 1433629976 /nfs/dbraw/zinc/62/99/76/1433629976.db2.gz TZVBTOONGSXYBG-OXJNMPFZSA-N 0 1 383.923 3.305 20 0 GGADMN COc1cc(-c2noc(CN3CC[C@@H]4OCCC[C@H]4C3)n2)ccc1OC(F)F ZINC000246551260 1433629990 /nfs/dbraw/zinc/62/99/90/1433629990.db2.gz GWXBVXXXLLRRJV-KBPBESRZSA-N 0 1 395.406 3.348 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2C[C@H](C)O)c1 ZINC000246563811 1433631754 /nfs/dbraw/zinc/63/17/54/1433631754.db2.gz FDPKQBLONAKMGU-HKUYNNGSSA-N 0 1 395.503 3.421 20 0 GGADMN C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C[C@@H](C)N1 ZINC000246566630 1433632394 /nfs/dbraw/zinc/63/23/94/1433632394.db2.gz BBZCFLZWXMMIQX-JXXFODFXSA-N 0 1 399.922 3.410 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000246565174 1433632432 /nfs/dbraw/zinc/63/24/32/1433632432.db2.gz HKKJUONIIFQQSN-RTWAWAEBSA-N 0 1 398.503 3.214 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000246589027 1433635660 /nfs/dbraw/zinc/63/56/60/1433635660.db2.gz JHCGAPGXOHRULK-PFACBQEBSA-N 0 1 391.581 3.203 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246588308 1433635678 /nfs/dbraw/zinc/63/56/78/1433635678.db2.gz GMUVJDMTICZINC-UONOGXRCSA-N 0 1 381.402 3.036 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246599234 1433637305 /nfs/dbraw/zinc/63/73/05/1433637305.db2.gz AJXZQQLZNNRNTM-BBWFWOEESA-N 0 1 391.531 3.266 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccc(F)cc1 ZINC000246599258 1433638051 /nfs/dbraw/zinc/63/80/51/1433638051.db2.gz AJXZQQLZNNRNTM-ULQDDVLXSA-N 0 1 391.531 3.266 20 0 GGADMN CCCC[C@H](COC)NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000246606787 1433638594 /nfs/dbraw/zinc/63/85/94/1433638594.db2.gz BNLRIBBCZKFRQT-SJLPKXTDSA-N 0 1 389.540 3.307 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)C[C@@H]1C ZINC000246612383 1433639557 /nfs/dbraw/zinc/63/95/57/1433639557.db2.gz HUMUTRRAGWBLGM-IYWMVGAKSA-N 0 1 397.563 3.447 20 0 GGADMN C[C@@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)[C@H]1C ZINC000246620658 1433640790 /nfs/dbraw/zinc/64/07/90/1433640790.db2.gz HCBGTLBWYXGETB-SJORKVTESA-N 0 1 383.492 3.293 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCN(C)C[C@H]3C(C)C)C2)c1 ZINC000246653210 1433645500 /nfs/dbraw/zinc/64/55/00/1433645500.db2.gz JJCCKNPFEJAQPT-QUCCMNQESA-N 0 1 386.540 3.038 20 0 GGADMN O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000246652901 1433645555 /nfs/dbraw/zinc/64/55/55/1433645555.db2.gz ASOUNLNICYZSEP-LEWJYISDSA-N 0 1 395.522 3.333 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc2ccccc21 ZINC000246657963 1433646289 /nfs/dbraw/zinc/64/62/89/1433646289.db2.gz RRDUVHJNYWCUIO-UXHICEINSA-N 0 1 395.547 3.061 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 ZINC000246662362 1433646651 /nfs/dbraw/zinc/64/66/51/1433646651.db2.gz KTSQQVIJBMVIGS-RLFYNMQTSA-N 0 1 397.357 3.499 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246678454 1433648597 /nfs/dbraw/zinc/64/85/97/1433648597.db2.gz GXZLSWWSGIAJCP-MOPGFXCFSA-N 0 1 387.568 3.216 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000246677370 1433648736 /nfs/dbraw/zinc/64/87/36/1433648736.db2.gz QTTMKLKESVXRIH-FGZHOGPDSA-N 0 1 391.515 3.202 20 0 GGADMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246695657 1433651153 /nfs/dbraw/zinc/65/11/53/1433651153.db2.gz IDAPXQXOXSDBFO-AZUAARDMSA-N 0 1 387.568 3.470 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246695672 1433651187 /nfs/dbraw/zinc/65/11/87/1433651187.db2.gz IDAPXQXOXSDBFO-ICSRJNTNSA-N 0 1 387.568 3.470 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)CC2 ZINC000246697918 1433651531 /nfs/dbraw/zinc/65/15/31/1433651531.db2.gz BWQBONUWEWXLSN-GBESFXJTSA-N 0 1 394.943 3.159 20 0 GGADMN CN(CCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)Cc1ccc(F)cc1 ZINC000246710288 1433653731 /nfs/dbraw/zinc/65/37/31/1433653731.db2.gz SIDSGLVXDLWAEX-RBUKOAKNSA-N 0 1 389.471 3.148 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246712593 1433653996 /nfs/dbraw/zinc/65/39/96/1433653996.db2.gz TXYLUHCOQBGMQO-MKBYDEASSA-N 0 1 397.610 3.264 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000246715639 1433654502 /nfs/dbraw/zinc/65/45/02/1433654502.db2.gz NTPAGVPJNLKTKN-YQQAZPJKSA-N 0 1 387.505 3.254 20 0 GGADMN C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000246720975 1433655003 /nfs/dbraw/zinc/65/50/03/1433655003.db2.gz TTXOGNVGMQFJMR-FGSXEWAUSA-N 0 1 381.520 3.245 20 0 GGADMN Cc1cccnc1[C@H](N[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1)C(C)C ZINC000246719658 1433655053 /nfs/dbraw/zinc/65/50/53/1433655053.db2.gz LQUWXWQBEFTJHC-ABSDTBQOSA-N 0 1 383.492 3.021 20 0 GGADMN COc1ccccc1N1C(=O)C[C@H](N2CC[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC000246720678 1433655260 /nfs/dbraw/zinc/65/52/60/1433655260.db2.gz IEGVPRIKOMTCLW-LPHOPBHVSA-N 0 1 382.435 3.031 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000246725401 1433655768 /nfs/dbraw/zinc/65/57/68/1433655768.db2.gz OJJOFQSEEQGAPX-OFNKIYASSA-N 0 1 391.515 3.100 20 0 GGADMN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246725424 1433655870 /nfs/dbraw/zinc/65/58/70/1433655870.db2.gz OJJOFQSEEQGAPX-REWPJTCUSA-N 0 1 391.515 3.100 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246736245 1433657669 /nfs/dbraw/zinc/65/76/69/1433657669.db2.gz ICQJFRDMCIHUQP-YJBOKZPZSA-N 0 1 391.487 3.168 20 0 GGADMN CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)C[C@@H]1CCC[C@H]1O ZINC000246740686 1433658204 /nfs/dbraw/zinc/65/82/04/1433658204.db2.gz OFBDBBNNHXKEAY-PKOBYXMFSA-N 0 1 385.533 3.405 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@H]2C1)NCc1ccccc1COc1ccccc1 ZINC000246749351 1433659817 /nfs/dbraw/zinc/65/98/17/1433659817.db2.gz PNPOZBSZKSHHFN-REWPJTCUSA-N 0 1 394.515 3.383 20 0 GGADMN C[C@@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000246764642 1433662131 /nfs/dbraw/zinc/66/21/31/1433662131.db2.gz QSCNIRLKLARNGD-NUJGCVRESA-N 0 1 377.504 3.102 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000246765199 1433662193 /nfs/dbraw/zinc/66/21/93/1433662193.db2.gz YJDZDBQYMZJFFV-SWOWEMQBSA-N 0 1 391.581 3.203 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246766584 1433662564 /nfs/dbraw/zinc/66/25/64/1433662564.db2.gz RAYCOLSOIBUSPP-GVDBMIGSSA-N 0 1 381.480 3.002 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](Cn2ccnn2)C1)c1cc2ccccc2o1 ZINC000246766597 1433662607 /nfs/dbraw/zinc/66/26/07/1433662607.db2.gz RAYCOLSOIBUSPP-YESZJQIVSA-N 0 1 381.480 3.002 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)[C@@H]1SCCc2ccccc21 ZINC000246777189 1433664374 /nfs/dbraw/zinc/66/43/74/1433664374.db2.gz QQORXNJOBSWMKZ-KSEOMHKRSA-N 0 1 396.556 3.016 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000246779613 1433664971 /nfs/dbraw/zinc/66/49/71/1433664971.db2.gz CJIXXUAXIBAABD-DHIUTWEWSA-N 0 1 394.515 3.339 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000246779613 1433664977 /nfs/dbraw/zinc/66/49/77/1433664977.db2.gz CJIXXUAXIBAABD-DHIUTWEWSA-N 0 1 394.515 3.339 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000246781304 1433665570 /nfs/dbraw/zinc/66/55/70/1433665570.db2.gz RTSLLTMMYBQRLG-ZMSDIMECSA-N 0 1 387.505 3.254 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000246793148 1433667784 /nfs/dbraw/zinc/66/77/84/1433667784.db2.gz XSKKKPDTCAFMFX-LNLFQRSKSA-N 0 1 387.524 3.417 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000246793148 1433667789 /nfs/dbraw/zinc/66/77/89/1433667789.db2.gz XSKKKPDTCAFMFX-LNLFQRSKSA-N 0 1 387.524 3.417 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246803211 1433669801 /nfs/dbraw/zinc/66/98/01/1433669801.db2.gz RERKIZJIKRDSDN-ICSRJNTNSA-N 0 1 387.568 3.298 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CCO2)n[nH]1 ZINC000246805729 1433670298 /nfs/dbraw/zinc/67/02/98/1433670298.db2.gz AXWAMRJPEKAXNF-ZNMIVQPWSA-N 0 1 394.397 3.090 20 0 GGADMN CCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246805860 1433670311 /nfs/dbraw/zinc/67/03/11/1433670311.db2.gz AJLLKSGJTNQEQA-RTBURBONSA-N 0 1 375.513 3.499 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000246804138 1433670359 /nfs/dbraw/zinc/67/03/59/1433670359.db2.gz KVCPZSCIKJHMDO-RXVVDRJESA-N 0 1 397.519 3.157 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000246811082 1433671934 /nfs/dbraw/zinc/67/19/34/1433671934.db2.gz TXVKOJRSOAGIJR-HZSPNIEDSA-N 0 1 388.339 3.361 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000246818969 1433673225 /nfs/dbraw/zinc/67/32/25/1433673225.db2.gz JTVPQGOAYONVSH-ZWOKBUDYSA-N 0 1 391.581 3.333 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000246817887 1433673393 /nfs/dbraw/zinc/67/33/93/1433673393.db2.gz PZDINTRQTKKLTR-DYESRHJHSA-N 0 1 382.504 3.146 20 0 GGADMN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)c1ccccc1Br ZINC000246833249 1433676006 /nfs/dbraw/zinc/67/60/06/1433676006.db2.gz UWDDWSKBCQGAJN-IUODEOHRSA-N 0 1 387.318 3.328 20 0 GGADMN CC(C)[C@@H](NC(=O)CN(C)[C@H](CO)C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000246840445 1433676708 /nfs/dbraw/zinc/67/67/08/1433676708.db2.gz OREBCECTRQXREA-TZIWHRDSSA-N 0 1 392.540 3.000 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000246842287 1433677442 /nfs/dbraw/zinc/67/74/42/1433677442.db2.gz VGNTZOWFPPCWTB-IRXDYDNUSA-N 0 1 376.497 3.468 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@H]2C1)NCc1cccc(COCc2ccco2)c1 ZINC000246860637 1433679683 /nfs/dbraw/zinc/67/96/83/1433679683.db2.gz UGWJUGQGKGCXBR-RBBKRZOGSA-N 0 1 398.503 3.114 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N[C@H](C)c1ccc3ccccc3c1)CC2 ZINC000246865853 1433679963 /nfs/dbraw/zinc/67/99/63/1433679963.db2.gz KUDMTYYBDSDELX-ZPMCFJSWSA-N 0 1 396.531 3.269 20 0 GGADMN COc1ccc(CCCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246870851 1433680569 /nfs/dbraw/zinc/68/05/69/1433680569.db2.gz UPRGIOPMILIONS-JTHBVZDNSA-N 0 1 396.531 3.017 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C[C@@H]1CCC[C@H]1O ZINC000246872583 1433680944 /nfs/dbraw/zinc/68/09/44/1433680944.db2.gz QYUSNEOUSVSZQU-WMLDXEAASA-N 0 1 387.505 3.032 20 0 GGADMN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C[C@@H]1CCC[C@H]1O ZINC000246872583 1433680945 /nfs/dbraw/zinc/68/09/45/1433680945.db2.gz QYUSNEOUSVSZQU-WMLDXEAASA-N 0 1 387.505 3.032 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246878611 1433681837 /nfs/dbraw/zinc/68/18/37/1433681837.db2.gz AVHFFSLIPLXWTC-APWZRJJASA-N 0 1 393.491 3.335 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246878611 1433681843 /nfs/dbraw/zinc/68/18/43/1433681843.db2.gz AVHFFSLIPLXWTC-APWZRJJASA-N 0 1 393.491 3.335 20 0 GGADMN CCOc1ccc(CCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246890196 1433683158 /nfs/dbraw/zinc/68/31/58/1433683158.db2.gz VFKZXQTWEACKIJ-GMAHTHKFSA-N 0 1 396.531 3.017 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCN1C[C@H](C)O ZINC000246892113 1433683629 /nfs/dbraw/zinc/68/36/29/1433683629.db2.gz FFGYKGJFKOZNIJ-WCQYABFASA-N 0 1 377.382 3.153 20 0 GGADMN O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246893678 1433683705 /nfs/dbraw/zinc/68/37/05/1433683705.db2.gz GPPPXTAXUOQYLJ-ARFHVFGLSA-N 0 1 380.891 3.153 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246912425 1433686324 /nfs/dbraw/zinc/68/63/24/1433686324.db2.gz COUAGKSEKVTLGG-ZHALLVOQSA-N 0 1 389.503 3.275 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000246927405 1433688325 /nfs/dbraw/zinc/68/83/25/1433688325.db2.gz YSXKKZUQWVRSCM-QLFBSQMISA-N 0 1 387.446 3.073 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000247196695 1433689858 /nfs/dbraw/zinc/68/98/58/1433689858.db2.gz LLTJABMWYSFRME-PBHICJAKSA-N 0 1 397.441 3.049 20 0 GGADMN CSCC[C@@H](C)N(C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000247191752 1433690052 /nfs/dbraw/zinc/69/00/52/1433690052.db2.gz SYGDKWOBPSTWHV-ZACQAIPSSA-N 0 1 379.570 3.312 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247201552 1433690283 /nfs/dbraw/zinc/69/02/83/1433690283.db2.gz NARWVRJYIPMXLY-RBUKOAKNSA-N 0 1 375.513 3.499 20 0 GGADMN CCCN(CC(=O)Nc1cccc(NC(C)=O)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247201552 1433690290 /nfs/dbraw/zinc/69/02/90/1433690290.db2.gz NARWVRJYIPMXLY-RBUKOAKNSA-N 0 1 375.513 3.499 20 0 GGADMN C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247200602 1433690672 /nfs/dbraw/zinc/69/06/72/1433690672.db2.gz WCHFHTNLTLDINB-PKOBYXMFSA-N 0 1 381.524 3.304 20 0 GGADMN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247200602 1433690673 /nfs/dbraw/zinc/69/06/73/1433690673.db2.gz WCHFHTNLTLDINB-PKOBYXMFSA-N 0 1 381.524 3.304 20 0 GGADMN CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C[C@@H]1CCC[C@H]1O ZINC000247206089 1433690903 /nfs/dbraw/zinc/69/09/03/1433690903.db2.gz YRVZTRBFBSGTGM-KPLVRAHFSA-N 0 1 384.545 3.315 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000247227896 1433693318 /nfs/dbraw/zinc/69/33/18/1433693318.db2.gz WCHNZHNLFSIJGY-FGTMMUONSA-N 0 1 384.442 3.378 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000247256339 1433696790 /nfs/dbraw/zinc/69/67/90/1433696790.db2.gz UYAONWOTKYQKAY-NPFVIJTESA-N 0 1 380.488 3.394 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000247256354 1433696903 /nfs/dbraw/zinc/69/69/03/1433696903.db2.gz UYAONWOTKYQKAY-URZJWIJPSA-N 0 1 380.488 3.394 20 0 GGADMN Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1Br ZINC000247264996 1433697940 /nfs/dbraw/zinc/69/79/40/1433697940.db2.gz XUDLIUHKMVPJLS-DOTOQJQBSA-N 0 1 378.314 3.437 20 0 GGADMN Cc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1Br ZINC000247264996 1433697941 /nfs/dbraw/zinc/69/79/41/1433697941.db2.gz XUDLIUHKMVPJLS-DOTOQJQBSA-N 0 1 378.314 3.437 20 0 GGADMN C[C@H](C1CC1)N(C(=O)CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000247288219 1433700753 /nfs/dbraw/zinc/70/07/53/1433700753.db2.gz GPRWVUSOIPNZST-KZNAEPCWSA-N 0 1 385.552 3.497 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000247305388 1433703143 /nfs/dbraw/zinc/70/31/43/1433703143.db2.gz IZIDJDJQPOWYQZ-OALUTQOASA-N 0 1 385.552 3.308 20 0 GGADMN COC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000247317886 1433705456 /nfs/dbraw/zinc/70/54/56/1433705456.db2.gz OLXXMDCLPXALRG-UTKZUKDTSA-N 0 1 394.471 3.469 20 0 GGADMN CSc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000247319085 1433705732 /nfs/dbraw/zinc/70/57/32/1433705732.db2.gz GGANPZPQPZEJCW-HKUYNNGSSA-N 0 1 385.533 3.413 20 0 GGADMN O=C(Nc1ccc2ncsc2c1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000247335208 1433708921 /nfs/dbraw/zinc/70/89/21/1433708921.db2.gz HEPYJDCRZFYXEP-LPHOPBHVSA-N 0 1 396.516 3.301 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000247352899 1433711685 /nfs/dbraw/zinc/71/16/85/1433711685.db2.gz GVKHBTTWZBCTMX-IRXDYDNUSA-N 0 1 396.491 3.049 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000247352920 1433712022 /nfs/dbraw/zinc/71/20/22/1433712022.db2.gz GVKHBTTWZBCTMX-SJORKVTESA-N 0 1 396.491 3.049 20 0 GGADMN CC[C@H](NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1 ZINC000247398589 1433717054 /nfs/dbraw/zinc/71/70/54/1433717054.db2.gz HKXHVNLZENORFO-VXKWHMMOSA-N 0 1 395.551 3.211 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)N1CCCC1 ZINC000247407857 1433718110 /nfs/dbraw/zinc/71/81/10/1433718110.db2.gz JDXJAEHZZQLZSC-IHPCNDPISA-N 0 1 387.524 3.043 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000247427916 1433720985 /nfs/dbraw/zinc/72/09/85/1433720985.db2.gz VVVMOGGIHNMHDO-BEFAXECRSA-N 0 1 387.528 3.013 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cccc(Cl)c2OC(C)C)CC[N@H+]1C[C@H](C)O ZINC000247425563 1433721058 /nfs/dbraw/zinc/72/10/58/1433721058.db2.gz NKLJVGRJOHPNBR-GJZGRUSLSA-N 0 1 383.920 3.436 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cccc(Cl)c2OC(C)C)CCN1C[C@H](C)O ZINC000247425563 1433721059 /nfs/dbraw/zinc/72/10/59/1433721059.db2.gz NKLJVGRJOHPNBR-GJZGRUSLSA-N 0 1 383.920 3.436 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000247438149 1433721977 /nfs/dbraw/zinc/72/19/77/1433721977.db2.gz XKSLVARVFZUXCA-QINHECLXSA-N 0 1 392.519 3.243 20 0 GGADMN Cc1c([C@@H](C)NC(=O)N2CCN(C)C[C@H]2C(C)C)cnn1-c1ccc(F)cc1 ZINC000247436508 1433722059 /nfs/dbraw/zinc/72/20/59/1433722059.db2.gz XEOWPZJQKRYEJW-QRWLVFNGSA-N 0 1 387.503 3.362 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000247438156 1433722291 /nfs/dbraw/zinc/72/22/91/1433722291.db2.gz XKSLVARVFZUXCA-YRNRMSPPSA-N 0 1 392.519 3.243 20 0 GGADMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247445675 1433723485 /nfs/dbraw/zinc/72/34/85/1433723485.db2.gz YCVLCTJVDZRKEO-MKRFIIIDSA-N 0 1 384.568 3.148 20 0 GGADMN 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379.894 3.209 20 0 GGADMN Cc1ccc(SCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000248025621 1433764129 /nfs/dbraw/zinc/76/41/29/1433764129.db2.gz OESDYKOEFUOAJK-UHFFFAOYSA-N 0 1 385.514 3.053 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000248023450 1433764339 /nfs/dbraw/zinc/76/43/39/1433764339.db2.gz KHEOEMYUNZTLIB-UHFFFAOYSA-N 0 1 386.439 3.458 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000248054230 1433766399 /nfs/dbraw/zinc/76/63/99/1433766399.db2.gz BJEBWKHKSLMUKQ-UHFFFAOYSA-N 0 1 387.553 3.297 20 0 GGADMN C[C@H](OCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1ccccc1 ZINC000248069882 1433767477 /nfs/dbraw/zinc/76/74/77/1433767477.db2.gz XCBDXWXEHPEKQA-AWEZNQCLSA-N 0 1 397.500 3.120 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4F)o3)cn2)CC1 ZINC000248079572 1433768386 /nfs/dbraw/zinc/76/83/86/1433768386.db2.gz AAYCRZLQRTUQSR-UHFFFAOYSA-N 0 1 394.450 3.163 20 0 GGADMN CCC[NH+]1CCC(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)CC1 ZINC000248093516 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GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)N(C)C)c1 ZINC000248186414 1433778336 /nfs/dbraw/zinc/77/83/36/1433778336.db2.gz HSEXVRRZSGZWCO-FCHUYYIVSA-N 0 1 398.503 3.286 20 0 GGADMN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248241373 1433781818 /nfs/dbraw/zinc/78/18/18/1433781818.db2.gz FDHYBMXKEGDNKC-PMACEKPBSA-N 0 1 390.524 3.316 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCn1cnc2ccccc21)N1CCCC1 ZINC000248256259 1433783392 /nfs/dbraw/zinc/78/33/92/1433783392.db2.gz SQSZCJKTFDLALF-NRFANRHFSA-N 0 1 392.503 3.388 20 0 GGADMN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000248265072 1433783749 /nfs/dbraw/zinc/78/37/49/1433783749.db2.gz DGDCDMVBJNHAOZ-SFHVURJKSA-N 0 1 397.519 3.149 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000248269336 1433784073 /nfs/dbraw/zinc/78/40/73/1433784073.db2.gz YXDVJSZKMMTSJE-FGTMMUONSA-N 0 1 384.442 3.282 20 0 GGADMN O=C(CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)N1CCC[C@@H]2CCCC[C@@H]21 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WEDBFCGIKXQRRE-CTNGQTDRSA-N 0 1 393.531 3.142 20 0 GGADMN O=C(CN1CCC[C@@H](CO)C1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000248370118 1433788581 /nfs/dbraw/zinc/78/85/81/1433788581.db2.gz XBZMVYXVUKWJPD-NQIIRXRSSA-N 0 1 391.515 3.120 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248371120 1433788594 /nfs/dbraw/zinc/78/85/94/1433788594.db2.gz YHPFOJXULDLLIC-UXHICEINSA-N 0 1 393.531 3.142 20 0 GGADMN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248371175 1433788629 /nfs/dbraw/zinc/78/86/29/1433788629.db2.gz YJHHJHHNUIHMQY-MAUKXSAKSA-N 0 1 380.916 3.209 20 0 GGADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248371167 1433788717 /nfs/dbraw/zinc/78/87/17/1433788717.db2.gz YJEVTAPUKRVDDH-SVFBPWRDSA-N 0 1 385.552 3.166 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000248380165 1433789970 /nfs/dbraw/zinc/78/99/70/1433789970.db2.gz PDLLPOKYSVWGGV-CLWJZODNSA-N 0 1 393.959 3.091 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000248380166 1433790132 /nfs/dbraw/zinc/79/01/32/1433790132.db2.gz PDLLPOKYSVWGGV-VIPLHTEESA-N 0 1 393.959 3.091 20 0 GGADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000248387535 1433792495 /nfs/dbraw/zinc/79/24/95/1433792495.db2.gz PJCPOXBXYQLIIM-KNKQGSTJSA-N 0 1 389.559 3.459 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C[S@@](C)=O)CN1Cc1ccccc1 ZINC000248390036 1433793640 /nfs/dbraw/zinc/79/36/40/1433793640.db2.gz BLNZOVUMXRXIDW-OXSPQAICSA-N 0 1 385.533 3.350 20 0 GGADMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000248396476 1433795807 /nfs/dbraw/zinc/79/58/07/1433795807.db2.gz HCQOFNLGJQHQHR-HRAATJIYSA-N 0 1 393.487 3.061 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000248410727 1433800350 /nfs/dbraw/zinc/80/03/50/1433800350.db2.gz HKJFHUDJUZATQO-IPELMVKDSA-N 0 1 397.523 3.126 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000248410728 1433800446 /nfs/dbraw/zinc/80/04/46/1433800446.db2.gz HKJFHUDJUZATQO-KFKAGJAMSA-N 0 1 397.523 3.126 20 0 GGADMN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248414349 1433800937 /nfs/dbraw/zinc/80/09/37/1433800937.db2.gz MQPSEBHQHCLOGY-CEXWTWQISA-N 0 1 395.507 3.491 20 0 GGADMN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248416721 1433801012 /nfs/dbraw/zinc/80/10/12/1433801012.db2.gz QAPXLMKSTVLPDA-KURKYZTESA-N 0 1 381.480 3.101 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248423608 1433801590 /nfs/dbraw/zinc/80/15/90/1433801590.db2.gz ZJERKNPWFKOPHT-FUHWJXTLSA-N 0 1 394.523 3.098 20 0 GGADMN O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248423527 1433801620 /nfs/dbraw/zinc/80/16/20/1433801620.db2.gz ZGCPUFPVRWTUCZ-MSOLQXFVSA-N 0 1 394.523 3.240 20 0 GGADMN CC[C@H]1CN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CCN1Cc1ccccc1 ZINC000248423866 1433801707 /nfs/dbraw/zinc/80/17/07/1433801707.db2.gz FUPPQMPTNIWFOV-RXVVDRJESA-N 0 1 378.472 3.411 20 0 GGADMN NC(=O)[C@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(F)cc1 ZINC000248428496 1433801803 /nfs/dbraw/zinc/80/18/03/1433801803.db2.gz RMCRRZWZOIYSGC-WMLDXEAASA-N 0 1 381.373 3.239 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248437589 1433802857 /nfs/dbraw/zinc/80/28/57/1433802857.db2.gz BKAGWCVKZTYSSC-UONOGXRCSA-N 0 1 397.313 3.251 20 0 GGADMN CCOC(=O)C[C@@H](C)N(C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000248460146 1433804744 /nfs/dbraw/zinc/80/47/44/1433804744.db2.gz ODLSBICJCIDNLV-JLTOFOAXSA-N 0 1 392.496 3.366 20 0 GGADMN CC1([C@@H]2CCCN([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C2)OCCO1 ZINC000248463593 1433804949 /nfs/dbraw/zinc/80/49/49/1433804949.db2.gz QRIXXFJVYPVGLH-DYVFJYSZSA-N 0 1 382.863 3.059 20 0 GGADMN C[S@](=O)C[C@H](NC[C@@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000248540581 1433807550 /nfs/dbraw/zinc/80/75/50/1433807550.db2.gz BHXZDVCHVPNTAK-NUANOYTQSA-N 0 1 383.513 3.289 20 0 GGADMN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000248550268 1433807912 /nfs/dbraw/zinc/80/79/12/1433807912.db2.gz KHZQDIJFRWRMDF-MXSMSXNCSA-N 0 1 386.492 3.144 20 0 GGADMN COc1ccc2nc(CN3CCC[C@@H]3CN3C[C@@H](C)O[C@@H](C)C3)sc2c1 ZINC000248556689 1433808277 /nfs/dbraw/zinc/80/82/77/1433808277.db2.gz LAVITCHTCAQHDS-OWCLPIDISA-N 0 1 375.538 3.379 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)c1nn[nH]n1 ZINC000248565219 1433808742 /nfs/dbraw/zinc/80/87/42/1433808742.db2.gz PJFMHWSHGLGYMD-UIAACRFSSA-N 0 1 391.475 3.144 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C[C@@H]1C ZINC000248564267 1433808787 /nfs/dbraw/zinc/80/87/87/1433808787.db2.gz BJYMZEGKZQAZRV-SUNYJGFJSA-N 0 1 399.457 3.253 20 0 GGADMN C[C@H](c1cnccn1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000248600611 1433810565 /nfs/dbraw/zinc/81/05/65/1433810565.db2.gz CHEHJQIWJZOMEF-CHWSQXEVSA-N 0 1 376.386 3.479 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@H](C)C[S@](C)=O)c1ccccc1 ZINC000248613240 1433811320 /nfs/dbraw/zinc/81/13/20/1433811320.db2.gz JACMFWDFWBWIKE-OAGPJDQZSA-N 0 1 389.561 3.161 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000248629860 1433812405 /nfs/dbraw/zinc/81/24/05/1433812405.db2.gz QFQLHXXGLXNDHA-BBWFWOEESA-N 0 1 378.488 3.445 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3nc(C)c(C)nc3C)CCN2C2CC2)c1 ZINC000248633629 1433812665 /nfs/dbraw/zinc/81/26/65/1433812665.db2.gz IZHMZOYXOKAPCE-CTNGQTDRSA-N 0 1 380.492 3.118 20 0 GGADMN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000248633733 1433812707 /nfs/dbraw/zinc/81/27/07/1433812707.db2.gz UEWFUSMDGWYQNX-JXFKEZNVSA-N 0 1 375.465 3.402 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000248633185 1433812722 /nfs/dbraw/zinc/81/27/22/1433812722.db2.gz RZPFPZPEZVGWAS-AEFFLSMTSA-N 0 1 378.488 3.226 20 0 GGADMN Cc1cc(OC[C@H](O)CN2CCC[C@H]2C(=O)N(C)C)c(C(C)C)cc1Cl ZINC000248661470 1433814214 /nfs/dbraw/zinc/81/42/14/1433814214.db2.gz FNHHKKDMAKPBMN-QAPCUYQASA-N 0 1 382.932 3.064 20 0 GGADMN O=C(Cc1cccc(Cl)c1Cl)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000248672679 1433814613 /nfs/dbraw/zinc/81/46/13/1433814613.db2.gz GGKCYMCULSOXNK-DLBZAZTESA-N 0 1 393.314 3.288 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000248679776 1433814845 /nfs/dbraw/zinc/81/48/45/1433814845.db2.gz NIMXCNNAUVQUOV-VDERGJSUSA-N 0 1 386.414 3.067 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000248679977 1433814994 /nfs/dbraw/zinc/81/49/94/1433814994.db2.gz VVOIZTIVEPHTQF-GRDNDAEWSA-N 0 1 381.492 3.094 20 0 GGADMN O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248705165 1433816189 /nfs/dbraw/zinc/81/61/89/1433816189.db2.gz LTUNUQGMBNGMFF-QPPBQGQZSA-N 0 1 391.515 3.492 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000248709683 1433816659 /nfs/dbraw/zinc/81/66/59/1433816659.db2.gz BDDOZFWJTOTXTN-LAUBAEHRSA-N 0 1 377.488 3.064 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248711148 1433816871 /nfs/dbraw/zinc/81/68/71/1433816871.db2.gz IXGSMDLNEBKXLC-XJKSGUPXSA-N 0 1 392.887 3.322 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000248720267 1433817399 /nfs/dbraw/zinc/81/73/99/1433817399.db2.gz CFKZRUIHZVFNLF-DYESRHJHSA-N 0 1 394.519 3.468 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248720375 1433817489 /nfs/dbraw/zinc/81/74/89/1433817489.db2.gz CGUXYJAZOSASAN-UYAOXDASSA-N 0 1 394.519 3.062 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000248720271 1433817544 /nfs/dbraw/zinc/81/75/44/1433817544.db2.gz CFKZRUIHZVFNLF-UTKZUKDTSA-N 0 1 394.519 3.468 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CCN([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000248723013 1433817761 /nfs/dbraw/zinc/81/77/61/1433817761.db2.gz GNLWAKLRNFTBSU-IERDGZPVSA-N 0 1 376.497 3.324 20 0 GGADMN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000248735274 1433818490 /nfs/dbraw/zinc/81/84/90/1433818490.db2.gz QSFJMKRMUUQUIX-KSZLIROESA-N 0 1 376.516 3.373 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000248734645 1433818614 /nfs/dbraw/zinc/81/86/14/1433818614.db2.gz DLVZGUZBYCLANN-PJGWDPASSA-N 0 1 389.496 3.205 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@@H]1CCCc2sccc21 ZINC000248735642 1433818801 /nfs/dbraw/zinc/81/88/01/1433818801.db2.gz PSZGDNAMIVANKC-YQVWRLOYSA-N 0 1 385.533 3.060 20 0 GGADMN COc1ccccc1N1CC[C@H](N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)C1=O ZINC000248736108 1433818847 /nfs/dbraw/zinc/81/88/47/1433818847.db2.gz KTVGJTAJSIKFKP-JXFKEZNVSA-N 0 1 391.475 3.074 20 0 GGADMN CN(C)[C@@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccco1 ZINC000248739347 1433819062 /nfs/dbraw/zinc/81/90/62/1433819062.db2.gz QSZXURDHSGSFKO-IHPCNDPISA-N 0 1 377.916 3.197 20 0 GGADMN CN(C)[C@H](CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccco1 ZINC000248739345 1433819131 /nfs/dbraw/zinc/81/91/31/1433819131.db2.gz QSZXURDHSGSFKO-HOJAQTOUSA-N 0 1 377.916 3.197 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000248758082 1433820573 /nfs/dbraw/zinc/82/05/73/1433820573.db2.gz LZVLVCAUDSGEIP-BUVFEPMLSA-N 0 1 394.515 3.370 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C[S@](C)=O ZINC000248764847 1433821140 /nfs/dbraw/zinc/82/11/40/1433821140.db2.gz GWGLUBUFQCBPSM-WTVARKITSA-N 0 1 385.533 3.207 20 0 GGADMN CC(C)C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000248779669 1433822183 /nfs/dbraw/zinc/82/21/83/1433822183.db2.gz WEVJJTOOSQNVPM-NHCUHLMSSA-N 0 1 385.552 3.128 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000248780865 1433822216 /nfs/dbraw/zinc/82/22/16/1433822216.db2.gz HYLIPRHXPJRNBU-IPMKNSEASA-N 0 1 395.507 3.318 20 0 GGADMN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000248782237 1433822254 /nfs/dbraw/zinc/82/22/54/1433822254.db2.gz XKKJCTFIAGSZMW-YDZRNGNQSA-N 0 1 377.573 3.135 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248788066 1433822671 /nfs/dbraw/zinc/82/26/71/1433822671.db2.gz INGFQQCFRMISFB-AYWYSENESA-N 0 1 397.519 3.398 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000248790516 1433822721 /nfs/dbraw/zinc/82/27/21/1433822721.db2.gz ITEWQXSJSGWQJN-FZKQIMNGSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000248790516 1433822722 /nfs/dbraw/zinc/82/27/22/1433822722.db2.gz ITEWQXSJSGWQJN-FZKQIMNGSA-N 0 1 389.858 3.054 20 0 GGADMN COC[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(Cl)cc1 ZINC000248820984 1433823860 /nfs/dbraw/zinc/82/38/60/1433823860.db2.gz XBFKQYQTTSHOJO-HNAYVOBHSA-N 0 1 375.900 3.437 20 0 GGADMN Cn1cc([C@H]2CSCCN2C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000248818892 1433823904 /nfs/dbraw/zinc/82/39/04/1433823904.db2.gz VDAYABAAKMWNAN-DLBZAZTESA-N 0 1 385.455 3.132 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSCC[C@@H]3C)c2C1 ZINC000248822965 1433824110 /nfs/dbraw/zinc/82/41/10/1433824110.db2.gz WBURDQGDETYPTF-JKSUJKDBSA-N 0 1 389.565 3.339 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSCC[C@H]3C)c2C1 ZINC000248822959 1433824175 /nfs/dbraw/zinc/82/41/75/1433824175.db2.gz WBURDQGDETYPTF-HZPDHXFCSA-N 0 1 389.565 3.339 20 0 GGADMN COC(=O)[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccc(OC)c(O)c1 ZINC000248826693 1433824275 /nfs/dbraw/zinc/82/42/75/1433824275.db2.gz HEQFXQOVJCKXNF-FQELHTAISA-N 0 1 384.476 3.040 20 0 GGADMN COC(=O)[C@H](N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(OC)c(O)c1 ZINC000248826693 1433824276 /nfs/dbraw/zinc/82/42/76/1433824276.db2.gz HEQFXQOVJCKXNF-FQELHTAISA-N 0 1 384.476 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000248828198 1433824371 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C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249388031 1433842380 /nfs/dbraw/zinc/84/23/80/1433842380.db2.gz QFBOWSIVTJSWGD-HUUCEWRRSA-N 0 1 392.931 3.152 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2Cc2noc(-c3ccc(F)cc3F)n2)C[C@H](C)O1 ZINC000249401607 1433842810 /nfs/dbraw/zinc/84/28/10/1433842810.db2.gz SVXPGGPKXQDACO-IJEWVQPXSA-N 0 1 392.450 3.088 20 0 GGADMN Cc1cc(-c2noc([C@H](C)N3CCN(CC(C)(C)O)[C@@H](C)C3)n2)ccc1F ZINC000249403336 1433842863 /nfs/dbraw/zinc/84/28/63/1433842863.db2.gz TXHPWNZQKQHJOT-GJZGRUSLSA-N 0 1 376.476 3.022 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000249429355 1433843638 /nfs/dbraw/zinc/84/36/38/1433843638.db2.gz JIAURBXBRDPGFV-UXHICEINSA-N 0 1 397.523 3.048 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000249451660 1433844087 /nfs/dbraw/zinc/84/40/87/1433844087.db2.gz ONICOMPXZAYSPI-BZSNNMDCSA-N 0 1 399.457 3.042 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)CCO1 ZINC000249459032 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WECPDBYYEIQPMP-FUHWJXTLSA-N 0 1 386.414 3.175 20 0 GGADMN CCN(C)c1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cn1 ZINC000249655122 1433848651 /nfs/dbraw/zinc/84/86/51/1433848651.db2.gz VHUIWRQGMPUWAV-CTNGQTDRSA-N 0 1 388.943 3.353 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H](O)c3c(F)cccc3F)C2)nc1 ZINC000249710675 1433849277 /nfs/dbraw/zinc/84/92/77/1433849277.db2.gz DKJBYVJIMKTIQD-WMLDXEAASA-N 0 1 375.419 3.052 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249717134 1433849657 /nfs/dbraw/zinc/84/96/57/1433849657.db2.gz JKTUVMQVWKZENP-CRAIPNDOSA-N 0 1 391.943 3.098 20 0 GGADMN CCCCN(C)C(=O)C1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000249723983 1433849821 /nfs/dbraw/zinc/84/98/21/1433849821.db2.gz OJLAPDDTBXHVTN-SOAMZJECSA-N 0 1 379.589 3.286 20 0 GGADMN O[C@H](CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1c(F)cccc1F ZINC000249722200 1433849869 /nfs/dbraw/zinc/84/98/69/1433849869.db2.gz NKBVFWQBPPWSFG-RHSMWYFYSA-N 0 1 376.451 3.196 20 0 GGADMN 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CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000250424048 1433856041 /nfs/dbraw/zinc/85/60/41/1433856041.db2.gz FBRTWEVRMWAPMD-RCCFBDPRSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)[C@H]1C ZINC000250422663 1433856078 /nfs/dbraw/zinc/85/60/78/1433856078.db2.gz DJTLZDDRQCSUAU-SOLBZPMBSA-N 0 1 389.565 3.115 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000250485413 1433856374 /nfs/dbraw/zinc/85/63/74/1433856374.db2.gz LCUANMJGXKYOKY-DOTOQJQBSA-N 0 1 383.330 3.111 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000250522140 1433856438 /nfs/dbraw/zinc/85/64/38/1433856438.db2.gz OIQVRCBEAQUZFH-HLLBOEOZSA-N 0 1 379.932 3.144 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN([C@H](CCCC)C(=O)Nc2cc(C)on2)C1 ZINC000250526721 1433856588 /nfs/dbraw/zinc/85/65/88/1433856588.db2.gz QSPQIFXQJDJHMN-IAGOWNOFSA-N 0 1 378.517 3.109 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000250571385 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CC[C@]1(CO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000251788687 1433860523 /nfs/dbraw/zinc/86/05/23/1433860523.db2.gz LTIMXZJWNGNSEK-OXQOHEQNSA-N 0 1 387.505 3.256 20 0 GGADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CCC[C@H]1CCO ZINC000251858055 1433860880 /nfs/dbraw/zinc/86/08/80/1433860880.db2.gz RLSVFDDOOMTDBC-JQHSSLGASA-N 0 1 399.457 3.130 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CCC[C@H]1CCO ZINC000251858055 1433860881 /nfs/dbraw/zinc/86/08/81/1433860881.db2.gz RLSVFDDOOMTDBC-JQHSSLGASA-N 0 1 399.457 3.130 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@H]2CCCC[C@@H]2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252002461 1433862020 /nfs/dbraw/zinc/86/20/20/1433862020.db2.gz WSPVPNRJBAXBDK-XFKAJCMBSA-N 0 1 383.895 3.075 20 0 GGADMN CC[C@@](C)(O)CN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000252016390 1433862347 /nfs/dbraw/zinc/86/23/47/1433862347.db2.gz YGBFGCZAQLRVQV-NZQKXSOJSA-N 0 1 382.504 3.290 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)c1ccccc1 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IPPFGLBNTWTAPE-KLHJMIIUSA-N 0 1 379.460 3.353 20 0 GGADMN C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000253360294 1433866437 /nfs/dbraw/zinc/86/64/37/1433866437.db2.gz IPPFGLBNTWTAPE-RRMPHLOHSA-N 0 1 379.460 3.353 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000253477764 1433867903 /nfs/dbraw/zinc/86/79/03/1433867903.db2.gz HLWMOQOAYZXDFZ-UHFFFAOYSA-N 0 1 389.864 3.445 20 0 GGADMN C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1sccc1C(N)=O ZINC000253490390 1433868177 /nfs/dbraw/zinc/86/81/77/1433868177.db2.gz INKIMYBPNKWRCM-WSKFYRRCSA-N 0 1 399.501 3.255 20 0 GGADMN C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1sccc1C(N)=O ZINC000253490389 1433868193 /nfs/dbraw/zinc/86/81/93/1433868193.db2.gz INKIMYBPNKWRCM-AEZGRPFRSA-N 0 1 399.501 3.255 20 0 GGADMN CCOC(=O)c1sc2[n-]c([C@H](C)[N@@H+](C)C[C@H]3CCCOC3)nc(=O)c2c1C ZINC000253549093 1433868943 /nfs/dbraw/zinc/86/89/43/1433868943.db2.gz IEFWLNHXGQDROV-QWHCGFSZSA-N 0 1 393.509 3.301 20 0 GGADMN CCOC(=O)c1sc2[nH]c([C@H](C)N(C)C[C@H]3CCCOC3)nc(=O)c2c1C ZINC000253549093 1433868948 /nfs/dbraw/zinc/86/89/48/1433868948.db2.gz IEFWLNHXGQDROV-QWHCGFSZSA-N 0 1 393.509 3.301 20 0 GGADMN CCCCn1c2nc(CN3CC[C@H](c4ccccc4)[C@H]3C)n(C)c2c(=O)[nH]c1=O ZINC000253551853 1433869099 /nfs/dbraw/zinc/86/90/99/1433869099.db2.gz BARKJIRHISPKDK-WBVHZDCISA-N 0 1 395.507 3.014 20 0 GGADMN CCCCn1c2nc(CN3CCC[C@@H]3[C@H](C)CCC)n(C)c2c(=O)[nH]c1=O ZINC000253553584 1433869119 /nfs/dbraw/zinc/86/91/19/1433869119.db2.gz YWMLVESXZNNHEG-HUUCEWRRSA-N 0 1 375.517 3.036 20 0 GGADMN COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)C(C)C)cc1 ZINC000253553904 1433869197 /nfs/dbraw/zinc/86/91/97/1433869197.db2.gz AKMTYULQRPZQGN-MBSDFSHPSA-N 0 1 398.551 3.197 20 0 GGADMN CCCCn1c2nc(CN3C[C@H](C)[C@H]4CCCC[C@H]43)n(CC)c2c(=O)[nH]c1=O ZINC000253559009 1433869364 /nfs/dbraw/zinc/86/93/64/1433869364.db2.gz HFTYXWGYLYUYFU-ARFHVFGLSA-N 0 1 387.528 3.129 20 0 GGADMN CCOC(=O)c1sc2[n-]c([C@H](C)[N@@H+](C)C[C@H]3CCC[C@@H]3O)nc(=O)c2c1C ZINC000253555617 1433869389 /nfs/dbraw/zinc/86/93/89/1433869389.db2.gz DMUOPDKCPUBGEK-XQQFMLRXSA-N 0 1 393.509 3.036 20 0 GGADMN CCOC(=O)c1sc2[nH]c([C@H](C)N(C)C[C@H]3CCC[C@@H]3O)nc(=O)c2c1C ZINC000253555617 1433869390 /nfs/dbraw/zinc/86/93/90/1433869390.db2.gz DMUOPDKCPUBGEK-XQQFMLRXSA-N 0 1 393.509 3.036 20 0 GGADMN CCCCn1c2nc(CN(CC)[C@@H]3CCCC[C@H]3C)n(C)c2c(=O)[nH]c1=O ZINC000253586168 1433869493 /nfs/dbraw/zinc/86/94/93/1433869493.db2.gz JZIRBLOFOAZOFQ-HUUCEWRRSA-N 0 1 375.517 3.036 20 0 GGADMN Cc1ccc(CN(C(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000253604123 1433870088 /nfs/dbraw/zinc/87/00/88/1433870088.db2.gz UNCDZJCKNMHBQO-SXWKCWPCSA-N 0 1 399.579 3.060 20 0 GGADMN C[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)C1(N2CCOCC2)CCCC1 ZINC000254925233 1433872389 /nfs/dbraw/zinc/87/23/89/1433872389.db2.gz KPCWRJLYHKLNIM-HLRDLLSLSA-N 0 1 385.533 3.459 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C=Cc3ccc(Cl)nc3)n2)c(OC)c1 ZINC000254943080 1433872707 /nfs/dbraw/zinc/87/27/07/1433872707.db2.gz YPGSRPDLGHDCCK-YWEYNIOJSA-N 0 1 385.811 3.189 20 0 GGADMN CCOc1cc(/C=C\C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)ccc1O ZINC000255008253 1433873998 /nfs/dbraw/zinc/87/39/98/1433873998.db2.gz WUTYLWAYSHLSDU-XASXRRJKSA-N 0 1 384.476 3.232 20 0 GGADMN COc1ccccc1/C=C(\C(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000255057647 1433875117 /nfs/dbraw/zinc/87/51/17/1433875117.db2.gz RDVWTRMOPJCJBY-FXBPSFAMSA-N 0 1 394.515 3.151 20 0 GGADMN COc1ccccc1/C(C)=C\C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000255073341 1433875718 /nfs/dbraw/zinc/87/57/18/1433875718.db2.gz AHFGDSCLQRRHFK-GPQDXDPLSA-N 0 1 394.515 3.098 20 0 GGADMN C/C(=C/C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000255076615 1433875927 /nfs/dbraw/zinc/87/59/27/1433875927.db2.gz MBKHWNGYZVUNSN-IRVMHKCDSA-N 0 1 382.426 3.289 20 0 GGADMN COc1ccccc1C/C(C)=C\C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000255134402 1433877191 /nfs/dbraw/zinc/87/71/91/1433877191.db2.gz WFDJQJMWLJLFIE-SPSXULPESA-N 0 1 386.536 3.334 20 0 GGADMN O=C(/C=C\c1ccc2ccccc2n1)NCC1(N2CCOCC2)CCCCC1 ZINC000255172629 1433878066 /nfs/dbraw/zinc/87/80/66/1433878066.db2.gz MGTCRXWFQQHYPY-KHPPLWFESA-N 0 1 379.504 3.399 20 0 GGADMN C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000255389809 1433882120 /nfs/dbraw/zinc/88/21/20/1433882120.db2.gz NAIXSCQTHMWYCR-SSZFMOIBSA-N 0 1 384.911 3.207 20 0 GGADMN O=C(CCN1CCN(C/C=C\c2ccccc2)CC1)N1CCc2sccc2C1 ZINC000255470845 1433883183 /nfs/dbraw/zinc/88/31/83/1433883183.db2.gz NHIJASJXQUHXGR-DAXSKMNVSA-N 0 1 395.572 3.354 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)/C=C\SCc1ccco1 ZINC000255475804 1433883350 /nfs/dbraw/zinc/88/33/50/1433883350.db2.gz XOUPKDZBJRQIEY-IDGGIGOKSA-N 0 1 385.533 3.353 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255593112 1433886118 /nfs/dbraw/zinc/88/61/18/1433886118.db2.gz YBVNCOKXJDLBLN-JIQDCKGJSA-N 0 1 380.532 3.374 20 0 GGADMN C/C(=C/C(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000255619352 1433886694 /nfs/dbraw/zinc/88/66/94/1433886694.db2.gz WBLJKVUWPQBQBS-PFONDFGASA-N 0 1 382.426 3.432 20 0 GGADMN COc1ccnc(N2CCN(C(=O)/C=C\c3cnc(C(C)(C)C)s3)CC2)c1 ZINC000255828263 1433889740 /nfs/dbraw/zinc/88/97/40/1433889740.db2.gz DQTYCKUIUHSJKK-WAYWQWQTSA-N 0 1 386.521 3.206 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1nnc(/C=C\c2ccco2)s1 ZINC000255849321 1433890260 /nfs/dbraw/zinc/89/02/60/1433890260.db2.gz XJVHDRJVPONSFC-FPLPWBNLSA-N 0 1 395.488 3.481 20 0 GGADMN COc1ccccc1NC(=O)C1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000261372553 1433895252 /nfs/dbraw/zinc/89/52/52/1433895252.db2.gz QBACXHXSEYOAHL-UHFFFAOYSA-N 0 1 393.491 3.136 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)CN1CCC(OC2CCCCC2)CC1 ZINC000261385513 1433895431 /nfs/dbraw/zinc/89/54/31/1433895431.db2.gz VTASVPAEYQHCPX-UHFFFAOYSA-N 0 1 392.515 3.477 20 0 GGADMN CC1(C)CN(C(=O)CCNC(=O)C2CCCCC2)CCN1Cc1ccccc1 ZINC000261431854 1433896278 /nfs/dbraw/zinc/89/62/78/1433896278.db2.gz LGGNLWWUIRFASF-UHFFFAOYSA-N 0 1 385.552 3.196 20 0 GGADMN CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261606747 1433897037 /nfs/dbraw/zinc/89/70/37/1433897037.db2.gz AEILRHNQYRNHLY-UHFFFAOYSA-N 0 1 390.509 3.028 20 0 GGADMN CCc1nc(C(=O)N2CCNC[C@@H]2c2ccc(CC)cc2)nn1-c1ccccc1 ZINC000261603723 1433897110 /nfs/dbraw/zinc/89/71/10/1433897110.db2.gz AUKSXKHAXAQBED-HXUWFJFHSA-N 0 1 389.503 3.179 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1 ZINC000261611688 1433897271 /nfs/dbraw/zinc/89/72/71/1433897271.db2.gz BXTXHYUGFVVGHL-LJQANCHMSA-N 0 1 377.444 3.396 20 0 GGADMN C[C@H](NS(=O)(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1)c1ccccc1 ZINC000261619048 1433897401 /nfs/dbraw/zinc/89/74/01/1433897401.db2.gz BQXUPCQNTJVNDV-AWEZNQCLSA-N 0 1 398.488 3.114 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@H]2C[C@@]23CCOc2ccccc23)cc1 ZINC000261624944 1433897599 /nfs/dbraw/zinc/89/75/99/1433897599.db2.gz APULXWOKDJFQAF-ZFGGDYGUSA-N 0 1 376.500 3.462 20 0 GGADMN Cc1ccc(C(=O)N[C@@H](Cc2nc(C3(N)CCC3)no2)c2ccccc2)cc1 ZINC000261627410 1433897660 /nfs/dbraw/zinc/89/76/60/1433897660.db2.gz CEURCGVHFMOFDE-SFHVURJKSA-N 0 1 376.460 3.430 20 0 GGADMN C[C@](N)(C(=O)NCc1nc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000261627804 1433897737 /nfs/dbraw/zinc/89/77/37/1433897737.db2.gz BKYRVMUEIPGOPX-QGZVFWFLSA-N 0 1 394.338 3.275 20 0 GGADMN CC(=O)Nc1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)ccc1F ZINC000261660645 1433898461 /nfs/dbraw/zinc/89/84/61/1433898461.db2.gz FRPOQGBTVYSQET-GOSISDBHSA-N 0 1 375.831 3.224 20 0 GGADMN C[C@](N)(C(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000261672585 1433898669 /nfs/dbraw/zinc/89/86/69/1433898669.db2.gz GCXDOLASIMOEFU-IEBWSBKVSA-N 0 1 388.309 3.336 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3nc(C4(N)CCC4)no3)cc2)c1 ZINC000261679743 1433898863 /nfs/dbraw/zinc/89/88/63/1433898863.db2.gz GUXNGYDCHOTNAS-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)CC)C2)cc1 ZINC000261678426 1433898875 /nfs/dbraw/zinc/89/88/75/1433898875.db2.gz BTGDYGDVVZPSMK-WMQCIHAUSA-N 0 1 385.552 3.007 20 0 GGADMN NC1(c2noc([C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)n2)CCCC1 ZINC000261685617 1433899089 /nfs/dbraw/zinc/89/90/89/1433899089.db2.gz HCTGBGZXIILDDW-AUUYWEPGSA-N 0 1 388.468 3.200 20 0 GGADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000261702876 1433899560 /nfs/dbraw/zinc/89/95/60/1433899560.db2.gz DDLFVVSPEURVKE-ILWGZMRPSA-N 0 1 393.487 3.359 20 0 GGADMN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261716665 1433899712 /nfs/dbraw/zinc/89/97/12/1433899712.db2.gz CEDMDPZLIMLTBJ-INIZCTEOSA-N 0 1 387.892 3.171 20 0 GGADMN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000261710184 1433899725 /nfs/dbraw/zinc/89/97/25/1433899725.db2.gz ISYKJWLHOLMOIK-ZDUSSCGKSA-N 0 1 376.844 3.047 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCc2cc(OC)cc(OC)c2)cc1 ZINC000261722989 1433899960 /nfs/dbraw/zinc/89/99/60/1433899960.db2.gz FESMBRLELUHZQF-QFIPXVFZSA-N 0 1 382.504 3.372 20 0 GGADMN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261729098 1433900193 /nfs/dbraw/zinc/90/01/93/1433900193.db2.gz JVEIQIMGGQANII-MGPUTAFESA-N 0 1 386.879 3.483 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1 ZINC000261729883 1433900457 /nfs/dbraw/zinc/90/04/57/1433900457.db2.gz FTLYFPIKAKICJL-QFIPXVFZSA-N 0 1 391.515 3.239 20 0 GGADMN [NH3+]C1(c2noc(-c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)n2)CCCC1 ZINC000261733168 1433900677 /nfs/dbraw/zinc/90/06/77/1433900677.db2.gz KLADECBSIFGBKJ-UHFFFAOYSA-N 0 1 384.461 3.265 20 0 GGADMN COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(C3(N)CCC3)no2)CC1 ZINC000261742825 1433901242 /nfs/dbraw/zinc/90/12/42/1433901242.db2.gz LERHKCYFJGIYHE-UHFFFAOYSA-N 0 1 390.871 3.089 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000261755086 1433901511 /nfs/dbraw/zinc/90/15/11/1433901511.db2.gz NRYVRURHGXZJEK-XZOQPEGZSA-N 0 1 393.531 3.298 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000261788925 1433904070 /nfs/dbraw/zinc/90/40/70/1433904070.db2.gz GLEGKUJGBFBBKY-KVSKMBFKSA-N 0 1 391.943 3.098 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)C1 ZINC000261788929 1433904202 /nfs/dbraw/zinc/90/42/02/1433904202.db2.gz GLEGKUJGBFBBKY-WDYCEAGBSA-N 0 1 391.943 3.098 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261809487 1433904865 /nfs/dbraw/zinc/90/48/65/1433904865.db2.gz OPPQFFUWQINQTM-GOSISDBHSA-N 0 1 375.831 3.224 20 0 GGADMN CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261811972 1433905139 /nfs/dbraw/zinc/90/51/39/1433905139.db2.gz PXUNCQAZMKTQQW-UHFFFAOYSA-N 0 1 398.488 3.290 20 0 GGADMN COc1cc(NC(=O)c2ccco2)c(-c2nc(C3(N)CCCC3)no2)cc1OC ZINC000261814203 1433905351 /nfs/dbraw/zinc/90/53/51/1433905351.db2.gz QBHBUJDPBSMUPU-UHFFFAOYSA-N 0 1 398.419 3.327 20 0 GGADMN Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc(C4(N)CCC4)no3)c2)cc1 ZINC000261851109 1433907248 /nfs/dbraw/zinc/90/72/48/1433907248.db2.gz SUHDLMLNUJTSOD-UHFFFAOYSA-N 0 1 398.488 3.208 20 0 GGADMN NC1(c2noc(-c3cccc(CS(=O)(=O)c4ccccc4)c3)n2)CCCC1 ZINC000261853963 1433907303 /nfs/dbraw/zinc/90/73/03/1433907303.db2.gz SZLPBPLMRJBPPP-UHFFFAOYSA-N 0 1 383.473 3.439 20 0 GGADMN C[C@@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000261879903 1433908717 /nfs/dbraw/zinc/90/87/17/1433908717.db2.gz YZYDJRSHKAJTIH-BMLIUANNSA-N 0 1 395.301 3.181 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nc(C4(N)CCC4)no3)c2)c1 ZINC000261879545 1433909151 /nfs/dbraw/zinc/90/91/51/1433909151.db2.gz WEZSKLXLCBXNNW-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3(N)CCCC3)no2)c1 ZINC000261879395 1433909175 /nfs/dbraw/zinc/90/91/75/1433909175.db2.gz WBZFQMQFVJOKKP-UHFFFAOYSA-N 0 1 398.916 3.147 20 0 GGADMN C[C@@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 ZINC000261881006 1433909698 /nfs/dbraw/zinc/90/96/98/1433909698.db2.gz YZYDJRSHKAJTIH-QGHHPUGFSA-N 0 1 395.301 3.181 20 0 GGADMN C[C@@](N)(C(=O)N[C@@H]1CCCc2cc(N)ccc21)c1ccc(Br)cc1 ZINC000261890837 1433909898 /nfs/dbraw/zinc/90/98/98/1433909898.db2.gz VECQQUHMFKKVDZ-MJGOQNOKSA-N 0 1 388.309 3.399 20 0 GGADMN C[C@@](N)(C(=O)N[C@H]1CCCc2cc(N)ccc21)c1ccc(Br)cc1 ZINC000261890835 1433910169 /nfs/dbraw/zinc/91/01/69/1433910169.db2.gz VECQQUHMFKKVDZ-HKUYNNGSSA-N 0 1 388.309 3.399 20 0 GGADMN CCc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1ccc(OC(C)C)cc1 ZINC000261899045 1433910695 /nfs/dbraw/zinc/91/06/95/1433910695.db2.gz YIGJSGBWKWQZHL-UHFFFAOYSA-N 0 1 382.468 3.395 20 0 GGADMN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(C2(N)CCCC2)no1 ZINC000261904176 1433911189 /nfs/dbraw/zinc/91/11/89/1433911189.db2.gz YXDSOXHMKBOJLF-AWEZNQCLSA-N 0 1 390.871 3.437 20 0 GGADMN NC1(c2noc(-c3nnn(-c4cccc(F)c4)c3C(F)(F)F)n2)CCCC1 ZINC000261904117 1433911361 /nfs/dbraw/zinc/91/13/61/1433911361.db2.gz YWKDGBSNTAGJDD-UHFFFAOYSA-N 0 1 382.321 3.203 20 0 GGADMN NC1(c2noc(CSCc3nc4sc5c(c4c(=O)[nH]3)CCC5)n2)CCC1 ZINC000261907383 1433911920 /nfs/dbraw/zinc/91/19/20/1433911920.db2.gz ZGTHYOYUAFPRLB-UHFFFAOYSA-N 0 1 389.506 3.040 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000261906613 1433912172 /nfs/dbraw/zinc/91/21/72/1433912172.db2.gz POKDAVNMKRRGBU-KBPBESRZSA-N 0 1 397.313 3.203 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000261945725 1433914752 /nfs/dbraw/zinc/91/47/52/1433914752.db2.gz LBKWNABTHLRIQO-PMACEKPBSA-N 0 1 385.552 3.007 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000261945728 1433915408 /nfs/dbraw/zinc/91/54/08/1433915408.db2.gz LBKWNABTHLRIQO-UXHICEINSA-N 0 1 385.552 3.007 20 0 GGADMN CCN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1 ZINC000261966881 1433917566 /nfs/dbraw/zinc/91/75/66/1433917566.db2.gz PXACTARKISKWKO-UHFFFAOYSA-N 0 1 398.488 3.290 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1cc(-c2nc(C3(N)CCCC3)no2)ccc1Cl ZINC000261997036 1433920495 /nfs/dbraw/zinc/92/04/95/1433920495.db2.gz SYFFEQABHSNLKS-UHFFFAOYSA-N 0 1 398.916 3.195 20 0 GGADMN NC(=O)N[C@H](Cc1nc(C2(N)CCC2)no1)c1cccc(Oc2ccccc2)c1 ZINC000261997124 1433920817 /nfs/dbraw/zinc/92/08/17/1433920817.db2.gz SZJBCKLWYXHCAQ-QGZVFWFLSA-N 0 1 393.447 3.152 20 0 GGADMN COc1ccc(C(=O)Nc2cc(F)ccc2-c2nc(C3(N)CCC3)no2)cc1 ZINC000262024891 1433922888 /nfs/dbraw/zinc/92/28/88/1433922888.db2.gz WLVATTYRBREPOE-UHFFFAOYSA-N 0 1 382.395 3.475 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)cc1 ZINC000262035503 1433923775 /nfs/dbraw/zinc/92/37/75/1433923775.db2.gz SUGLPVOXLYOXJO-VGSWGCGISA-N 0 1 380.488 3.392 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262036370 1433923830 /nfs/dbraw/zinc/92/38/30/1433923830.db2.gz PTSWVFLUYSBQQB-HNNXBMFYSA-N 0 1 399.800 3.463 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)cc1 ZINC000262035502 1433923846 /nfs/dbraw/zinc/92/38/46/1433923846.db2.gz SUGLPVOXLYOXJO-VGOFRKELSA-N 0 1 380.488 3.392 20 0 GGADMN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262048174 1433924470 /nfs/dbraw/zinc/92/44/70/1433924470.db2.gz QTLDGLMYCQZFKU-LJQANCHMSA-N 0 1 398.894 3.005 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 ZINC000262055443 1433925141 /nfs/dbraw/zinc/92/51/41/1433925141.db2.gz VJHCEKNAFDZWBP-RTBURBONSA-N 0 1 385.533 3.051 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262123148 1433927981 /nfs/dbraw/zinc/92/79/81/1433927981.db2.gz JYACBIJLLPDVLJ-HRAATJIYSA-N 0 1 376.472 3.140 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cnc3c(cnn3CC(C)C)c2)cc1 ZINC000262135615 1433928247 /nfs/dbraw/zinc/92/82/47/1433928247.db2.gz DKBFWFFJKRJCBQ-OAQYLSRUSA-N 0 1 391.519 3.436 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C2 ZINC000262138399 1433928604 /nfs/dbraw/zinc/92/86/04/1433928604.db2.gz LSGRUGLODWGAJS-MEDUHNTESA-N 0 1 390.789 3.484 20 0 GGADMN O=C(C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccccc1Cc1ccccc1 ZINC000262139880 1433928631 /nfs/dbraw/zinc/92/86/31/1433928631.db2.gz LVEGBEMXAVZFOA-WMZHIEFXSA-N 0 1 378.472 3.403 20 0 GGADMN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262150688 1433928770 /nfs/dbraw/zinc/92/87/70/1433928770.db2.gz XLAUAGJVAASXCD-FXAWDEMLSA-N 0 1 397.906 3.404 20 0 GGADMN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262150711 1433928800 /nfs/dbraw/zinc/92/88/00/1433928800.db2.gz XLAUAGJVAASXCD-YLJYHZDGSA-N 0 1 397.906 3.404 20 0 GGADMN O=C(CC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)NC(c1ccccc1)c1ccccc1 ZINC000262169784 1433929540 /nfs/dbraw/zinc/92/95/40/1433929540.db2.gz OWMNJTJLTSHWTM-GBXCKJPGSA-N 0 1 392.499 3.469 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000262175423 1433929765 /nfs/dbraw/zinc/92/97/65/1433929765.db2.gz PNFZZXZLJQBFAI-MGPLVRAMSA-N 0 1 390.789 3.484 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc(-c3ccccn3)[nH]c2=O)cc1 ZINC000262181478 1433930080 /nfs/dbraw/zinc/93/00/80/1433930080.db2.gz ITPFEAGMSBOALZ-OAQYLSRUSA-N 0 1 388.471 3.198 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CCN(Cc2ccccc2)C(C)=O)cc1 ZINC000262192232 1433930284 /nfs/dbraw/zinc/93/02/84/1433930284.db2.gz JRYYTJNSBWZYEK-HSZRJFAPSA-N 0 1 393.531 3.161 20 0 GGADMN CCOc1ccc(CN(C(=O)[C@@H](N)COC)c2ccc(OC)c(Cl)c2)cc1 ZINC000262215817 1433931201 /nfs/dbraw/zinc/93/12/01/1433931201.db2.gz OOQQBBPJIVFIBK-SFHVURJKSA-N 0 1 392.883 3.254 20 0 GGADMN CC(C)(C)c1cc(NC(=O)C[C@H]2COCCN2)n(-c2cccc(Cl)c2)n1 ZINC000262252937 1433932521 /nfs/dbraw/zinc/93/25/21/1433932521.db2.gz SUMAOKWRXINLRT-AWEZNQCLSA-N 0 1 376.888 3.140 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc(-c3n[nH]c(C)n3)cc2)cc1 ZINC000262259643 1433932694 /nfs/dbraw/zinc/93/26/94/1433932694.db2.gz QZPLOVNFSXZONS-FQEVSTJZSA-N 0 1 375.476 3.129 20 0 GGADMN Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262282958 1433933421 /nfs/dbraw/zinc/93/34/21/1433933421.db2.gz LKBYDRWLNGMNCL-AWEZNQCLSA-N 0 1 378.469 3.360 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CSCC(=O)c2ccccc2)cc1 ZINC000262277425 1433933545 /nfs/dbraw/zinc/93/35/45/1433933545.db2.gz UCGYXDWGGZNZCR-HXUWFJFHSA-N 0 1 382.529 3.338 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000262286532 1433933746 /nfs/dbraw/zinc/93/37/46/1433933746.db2.gz VLJJIIDCPVKTRF-IFMALSPDSA-N 0 1 391.515 3.313 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000262286538 1433933753 /nfs/dbraw/zinc/93/37/53/1433933753.db2.gz VLJJIIDCPVKTRF-IRLDBZIGSA-N 0 1 391.515 3.313 20 0 GGADMN CC(C)[N@H+](CCS(=O)(=O)CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000262301380 1433933949 /nfs/dbraw/zinc/93/39/49/1433933949.db2.gz KTVYYDCRKKLOMT-UHFFFAOYSA-N 0 1 399.509 3.264 20 0 GGADMN CC(C)[N@@H+](CCS(=O)(=O)CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000262301380 1433933950 /nfs/dbraw/zinc/93/39/50/1433933950.db2.gz KTVYYDCRKKLOMT-UHFFFAOYSA-N 0 1 399.509 3.264 20 0 GGADMN O=C(C[C@H]1COCCN1)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000262306395 1433934207 /nfs/dbraw/zinc/93/42/07/1433934207.db2.gz BILCUWDLJAEJDZ-INIZCTEOSA-N 0 1 394.393 3.492 20 0 GGADMN COC[C@@H](N)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC000262303985 1433934255 /nfs/dbraw/zinc/93/42/55/1433934255.db2.gz BCEPRBXFABROBU-OAHLLOKOSA-N 0 1 395.381 3.178 20 0 GGADMN COC[C@H](N)C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC000262303984 1433934309 /nfs/dbraw/zinc/93/43/09/1433934309.db2.gz BCEPRBXFABROBU-HNNXBMFYSA-N 0 1 395.381 3.178 20 0 GGADMN O=C(C[C@@H]1COCCN1)N(Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000262324835 1433935111 /nfs/dbraw/zinc/93/51/11/1433935111.db2.gz DEPCCCYIBLIPRN-OAHLLOKOSA-N 0 1 386.414 3.235 20 0 GGADMN O=C(C[C@H]1COCCN1)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000262347651 1433935912 /nfs/dbraw/zinc/93/59/12/1433935912.db2.gz IPQYUBKALZHGQH-HNNXBMFYSA-N 0 1 380.370 3.161 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H]1NCCc2ccccc21 ZINC000262359672 1433936441 /nfs/dbraw/zinc/93/64/41/1433936441.db2.gz VKCFQYFVKRLAOS-KRWDZBQOSA-N 0 1 384.423 3.012 20 0 GGADMN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262361315 1433936466 /nfs/dbraw/zinc/93/64/66/1433936466.db2.gz KMNLKLJOPCATIE-GOSISDBHSA-N 0 1 387.842 3.151 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000262413448 1433938202 /nfs/dbraw/zinc/93/82/02/1433938202.db2.gz BOMRGAQRLYJSDL-QGZVFWFLSA-N 0 1 377.872 3.366 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262462164 1433940094 /nfs/dbraw/zinc/94/00/94/1433940094.db2.gz KLFCPCBACOXQEG-QGZVFWFLSA-N 0 1 395.503 3.481 20 0 GGADMN O=C(C[C@@H]1COCCN1)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000262489800 1433940893 /nfs/dbraw/zinc/94/08/93/1433940893.db2.gz HNCIPAPAZJCHPF-BFUOFWGJSA-N 0 1 380.822 3.202 20 0 GGADMN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)C[C@H]2COCCN2)c1 ZINC000262495522 1433941375 /nfs/dbraw/zinc/94/13/75/1433941375.db2.gz IBKJTNXVTOMHCV-UNMCSNQZSA-N 0 1 382.504 3.091 20 0 GGADMN O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)C[C@H]1COCCN1 ZINC000262511196 1433941930 /nfs/dbraw/zinc/94/19/30/1433941930.db2.gz JPQKEZKIQQGLBD-SFHVURJKSA-N 0 1 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3.257 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 ZINC000263822463 1434037872 /nfs/dbraw/zinc/03/78/72/1434037872.db2.gz QMTISXPEJROIBU-UHFFFAOYSA-N 0 1 380.473 3.313 20 0 GGADMN CCn1nc(C)c(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000263832771 1434039235 /nfs/dbraw/zinc/03/92/35/1434039235.db2.gz PQKBYJQDKIIPPM-IYBDPMFKSA-N 0 1 384.524 3.059 20 0 GGADMN CCn1nc(C)c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000263832108 1434039364 /nfs/dbraw/zinc/03/93/64/1434039364.db2.gz PQKBYJQDKIIPPM-HOTGVXAUSA-N 0 1 384.524 3.059 20 0 GGADMN CC(=O)N/C(=C/c1ccccc1)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000263852213 1434041733 /nfs/dbraw/zinc/04/17/33/1434041733.db2.gz YZWWJMYKEUZIIV-SSUIOBEFSA-N 0 1 381.476 3.018 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)C1 ZINC000263856391 1434042249 /nfs/dbraw/zinc/04/22/49/1434042249.db2.gz ZYLPXFNCKQBJOO-QXAKKESOSA-N 0 1 389.540 3.126 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)C1 ZINC000263856394 1434042434 /nfs/dbraw/zinc/04/24/34/1434042434.db2.gz ZYLPXFNCKQBJOO-UHOSZYNNSA-N 0 1 389.540 3.126 20 0 GGADMN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)C1 ZINC000263856401 1434042442 /nfs/dbraw/zinc/04/24/42/1434042442.db2.gz ZYLPXFNCKQBJOO-YTQUADARSA-N 0 1 389.540 3.126 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000263858051 1434042649 /nfs/dbraw/zinc/04/26/49/1434042649.db2.gz VMFVEMNFAJTTGW-AWEZNQCLSA-N 0 1 388.464 3.319 20 0 GGADMN Cn1ccnc1[C@@](O)(CNCc1cnc(-c2ccccc2)s1)C(F)(F)F ZINC000263862600 1434043141 /nfs/dbraw/zinc/04/31/41/1434043141.db2.gz WNYYWNIOAWSMKO-INIZCTEOSA-N 0 1 382.411 3.083 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2ccccc2NC(=O)NC(C)C)c1 ZINC000263865135 1434043315 /nfs/dbraw/zinc/04/33/15/1434043315.db2.gz VRTCWGGPWPUAIG-UHFFFAOYSA-N 0 1 377.466 3.164 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000263918337 1434048818 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GGADMN C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc2c(c1)CC(=O)N2C ZINC000263999838 1434059860 /nfs/dbraw/zinc/05/98/60/1434059860.db2.gz FCOUCQMXZZARFT-JLTOFOAXSA-N 0 1 398.482 3.008 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc2c(c1)CC(=O)N2C ZINC000263999843 1434059932 /nfs/dbraw/zinc/05/99/32/1434059932.db2.gz FCOUCQMXZZARFT-VLIAUNLRSA-N 0 1 398.482 3.008 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccc2c(c1)CC(=O)N2C ZINC000264016254 1434062515 /nfs/dbraw/zinc/06/25/15/1434062515.db2.gz URHZNQKNKIVYNW-OAGGEKHMSA-N 0 1 377.488 3.222 20 0 GGADMN Cn1cccc1C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000264018665 1434062615 /nfs/dbraw/zinc/06/26/15/1434062615.db2.gz XGYNNOUBVHGXQE-UHFFFAOYSA-N 0 1 389.503 3.037 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)n[nH]1 ZINC000264021616 1434062980 /nfs/dbraw/zinc/06/29/80/1434062980.db2.gz GUNGSFSGTQGYQN-GOSISDBHSA-N 0 1 399.882 3.294 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc2c(c1)CC(=O)N2C 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JGEFJNDXWOTUHI-UHFFFAOYSA-N 0 1 399.514 3.093 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000264101264 1434071690 /nfs/dbraw/zinc/07/16/90/1434071690.db2.gz IONQLYXIMXESKY-UHFFFAOYSA-N 0 1 389.540 3.467 20 0 GGADMN Cc1cccc(NC(=O)N2CCN(C(=O)c3cc(C)cc4c[nH]nc43)CC2)c1 ZINC000264124606 1434073912 /nfs/dbraw/zinc/07/39/12/1434073912.db2.gz KBNFZQJCAAHIEP-UHFFFAOYSA-N 0 1 377.448 3.170 20 0 GGADMN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)Cc1cccc(C(=O)N(C)C)c1 ZINC000264133630 1434074609 /nfs/dbraw/zinc/07/46/09/1434074609.db2.gz MTNCEYONCLOCSA-FQEVSTJZSA-N 0 1 395.547 3.111 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)nc3)CC2)c1C ZINC000264138670 1434075044 /nfs/dbraw/zinc/07/50/44/1434075044.db2.gz PTZFOWCCKLZCOY-UHFFFAOYSA-N 0 1 382.508 3.147 20 0 GGADMN CCN(CC)[C@H](C(=O)N(C)Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000264197263 1434080999 /nfs/dbraw/zinc/08/09/99/1434080999.db2.gz DHHPOJBYVRCMFJ-KRWDZBQOSA-N 0 1 382.430 3.487 20 0 GGADMN CCN(CC)[C@@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC000264200439 1434081441 /nfs/dbraw/zinc/08/14/41/1434081441.db2.gz SPFNGAIZTDJOLA-HXUWFJFHSA-N 0 1 383.492 3.084 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(OCc3ccncc3)cc2)C[C@@H](C)O1 ZINC000264204969 1434081843 /nfs/dbraw/zinc/08/18/43/1434081843.db2.gz FVNIGTXJSHSOCY-QZTJIDSGSA-N 0 1 398.507 3.281 20 0 GGADMN O=C(NCCCOCC1CC1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000264220432 1434083842 /nfs/dbraw/zinc/08/38/42/1434083842.db2.gz BOWDCRWFNIEHGL-UHFFFAOYSA-N 0 1 383.496 3.177 20 0 GGADMN Clc1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc2c1OCCCO2 ZINC000264231349 1434085033 /nfs/dbraw/zinc/08/50/33/1434085033.db2.gz RQAYEHCUKOUYKW-HNNXBMFYSA-N 0 1 388.899 3.419 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2cn[nH]c2-c2ccncc2)c1)N1CCOCC1 ZINC000264230885 1434085059 /nfs/dbraw/zinc/08/50/59/1434085059.db2.gz MGPIDBVAXXFBJA-OAHLLOKOSA-N 0 1 377.448 3.117 20 0 GGADMN CSc1nc(C)c(CCC(=O)NCCCCCCC[NH+]2CCCC2)c(=O)[n-]1 ZINC000264231735 1434085102 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CCOc1ccc(OC)cc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000264281127 1434091888 /nfs/dbraw/zinc/09/18/88/1434091888.db2.gz UDQXIWUURORDJR-UHFFFAOYSA-N 0 1 399.472 3.121 20 0 GGADMN Cc1c([C@@H](C)NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cnn1C ZINC000264282239 1434092129 /nfs/dbraw/zinc/09/21/29/1434092129.db2.gz SCAPIHYDUJEFMW-CQSZACIVSA-N 0 1 393.495 3.164 20 0 GGADMN Cc1c([C@H](C)NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cnn1C ZINC000264282238 1434092211 /nfs/dbraw/zinc/09/22/11/1434092211.db2.gz SCAPIHYDUJEFMW-AWEZNQCLSA-N 0 1 393.495 3.164 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000264293232 1434093849 /nfs/dbraw/zinc/09/38/49/1434093849.db2.gz VHPDMCFYTPVQNX-QGZVFWFLSA-N 0 1 375.494 3.278 20 0 GGADMN C[C@H](CNC(=O)CCCc1ccc2c(c1)CC(=O)N2)N1CCc2ccccc2C1 ZINC000264295931 1434093993 /nfs/dbraw/zinc/09/39/93/1434093993.db2.gz QPHBQGQRWMVBAI-QGZVFWFLSA-N 0 1 391.515 3.067 20 0 GGADMN CCc1nnc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)s1 ZINC000264296316 1434094206 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/nfs/dbraw/zinc/31/30/25/1434313025.db2.gz IRNJAVXFBNSOMY-UHFFFAOYSA-N 0 1 386.514 3.020 20 0 GGADMN COc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc(NS(C)(=O)=O)c1OC ZINC000266252682 1434313546 /nfs/dbraw/zinc/31/35/46/1434313546.db2.gz SSIZKFVAVXVROD-UHFFFAOYSA-N 0 1 392.477 3.451 20 0 GGADMN O=C(/C=C/c1ccc(SC(F)F)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000266269658 1434315041 /nfs/dbraw/zinc/31/50/41/1434315041.db2.gz XBTPYGHMQVQHGL-GIZXNFQBSA-N 0 1 382.476 3.195 20 0 GGADMN O=C(CCCCc1nc2ccccc2s1)N1CC[C@H](CN2CCOCC2)C1 ZINC000266272778 1434315256 /nfs/dbraw/zinc/31/52/56/1434315256.db2.gz XXVOSIFFQHHYRQ-QGZVFWFLSA-N 0 1 387.549 3.190 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000266297138 1434317407 /nfs/dbraw/zinc/31/74/07/1434317407.db2.gz HROKCSHQNOSNSP-FCHUYYIVSA-N 0 1 397.494 3.194 20 0 GGADMN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266310719 1434318999 /nfs/dbraw/zinc/31/89/99/1434318999.db2.gz ADDKXMGTBSTVLS-CQSZACIVSA-N 0 1 390.459 3.490 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)[C@@H]2CCOC2)CC1 ZINC000266322894 1434320367 /nfs/dbraw/zinc/32/03/67/1434320367.db2.gz CLXQWKOPXXLRKM-LSDHHAIUSA-N 0 1 380.920 3.028 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)[C@H]2CCOC2)CC1 ZINC000266322881 1434320407 /nfs/dbraw/zinc/32/04/07/1434320407.db2.gz CLXQWKOPXXLRKM-GJZGRUSLSA-N 0 1 380.920 3.028 20 0 GGADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266331989 1434321324 /nfs/dbraw/zinc/32/13/24/1434321324.db2.gz SGRJGJUQXAYUJC-XJKSGUPXSA-N 0 1 398.525 3.116 20 0 GGADMN Cc1ccc(C[NH+]2CCSCC2)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266332838 1434321369 /nfs/dbraw/zinc/32/13/69/1434321369.db2.gz KTKVOQGKGHOJPB-UHFFFAOYSA-N 0 1 394.566 3.122 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3cnn(CC(C)C)c3)CC2)cc1 ZINC000266349228 1434323261 /nfs/dbraw/zinc/32/32/61/1434323261.db2.gz DHSHMEOQPQYIFI-UHFFFAOYSA-N 0 1 385.512 3.288 20 0 GGADMN CCCCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)[C@@H](C)CC ZINC000266353104 1434323729 /nfs/dbraw/zinc/32/37/29/1434323729.db2.gz NZASKPIIRLSXLV-ZDUSSCGKSA-N 0 1 386.514 3.116 20 0 GGADMN C[C@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CCN1Cc1ccccc1 ZINC000266359222 1434324556 /nfs/dbraw/zinc/32/45/56/1434324556.db2.gz RIUMIFFPBRAMHF-INIZCTEOSA-N 0 1 393.487 3.043 20 0 GGADMN C[C@H](CCO)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000266399556 1434330761 /nfs/dbraw/zinc/33/07/61/1434330761.db2.gz GVAGHYVXMKFDRE-QGZVFWFLSA-N 0 1 390.528 3.031 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccsc1 ZINC000266402203 1434331221 /nfs/dbraw/zinc/33/12/21/1434331221.db2.gz PGGBAULTQCCCJH-QGZVFWFLSA-N 0 1 387.509 3.092 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000266439542 1434336883 /nfs/dbraw/zinc/33/68/83/1434336883.db2.gz ADPANBMLFWXSPI-SFHVURJKSA-N 0 1 396.535 3.327 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(CC)Cc1ccncc1 ZINC000266483723 1434342277 /nfs/dbraw/zinc/34/22/77/1434342277.db2.gz UEAFXXVOTTZIQL-UHFFFAOYSA-N 0 1 397.523 3.286 20 0 GGADMN Cc1cccc2oc(CCNC(=O)NC3CCN(Cc4ccccn4)CC3)nc21 ZINC000266511930 1434345263 /nfs/dbraw/zinc/34/52/63/1434345263.db2.gz MYLVFXXMHBWNAR-UHFFFAOYSA-N 0 1 393.491 3.038 20 0 GGADMN O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)[C@@H]1CCCS1 ZINC000266522145 1434346438 /nfs/dbraw/zinc/34/64/38/1434346438.db2.gz FELUARDPSDNUEL-NRFANRHFSA-N 0 1 396.560 3.280 20 0 GGADMN Cc1cccc2oc(CCNC(=O)NC3CCN(Cc4ccncc4)CC3)nc21 ZINC000266530035 1434346730 /nfs/dbraw/zinc/34/67/30/1434346730.db2.gz PXQRIRLKUZBHNJ-UHFFFAOYSA-N 0 1 393.491 3.038 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000266529955 1434346817 /nfs/dbraw/zinc/34/68/17/1434346817.db2.gz KLPDZVGJAQONTK-LJQANCHMSA-N 0 1 399.926 3.143 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1cnn(C)c1)N1CCCCC1 ZINC000266546972 1434348441 /nfs/dbraw/zinc/34/84/41/1434348441.db2.gz RPEFFNJIGYLRKU-APWZRJJASA-N 0 1 385.512 3.016 20 0 GGADMN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Oc3cnccn3)cc2)NC(=S)N1 ZINC000266560633 1434349737 /nfs/dbraw/zinc/34/97/37/1434349737.db2.gz MSOFZJXZMYPJGD-KRWDZBQOSA-N 0 1 384.461 3.013 20 0 GGADMN COc1cc(-c2nnc(CN(C)CCc3cccs3)o2)cc(OC)c1OC ZINC000266578688 1434351162 /nfs/dbraw/zinc/35/11/62/1434351162.db2.gz HHBXLBKOFUNMSQ-UHFFFAOYSA-N 0 1 389.477 3.498 20 0 GGADMN COCCOC[C@@H]1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000266609701 1434354234 /nfs/dbraw/zinc/35/42/34/1434354234.db2.gz VSNNOMNBYMCTTR-IRLDBZIGSA-N 0 1 382.504 3.029 20 0 GGADMN CSc1ccccc1NC(=O)CCN1CCCN(c2nc(C)ns2)CC1 ZINC000266634442 1434356945 /nfs/dbraw/zinc/35/69/45/1434356945.db2.gz RBOIEHLPRSNRHI-UHFFFAOYSA-N 0 1 391.566 3.109 20 0 GGADMN CC[C@](C)(NC[C@@H](O)COc1c(OC)cccc1OC)c1nc(C)cs1 ZINC000266635696 1434357159 /nfs/dbraw/zinc/35/71/59/1434357159.db2.gz RLEYPVOKSDZFPZ-KUHUBIRLSA-N 0 1 380.510 3.123 20 0 GGADMN CC[C@@](C)(NC[C@@H](O)COc1ccc(NC(C)=O)cc1)c1nc(C)cs1 ZINC000266648225 1434358649 /nfs/dbraw/zinc/35/86/49/1434358649.db2.gz XKODQQPUZQHNQZ-VQIMIIECSA-N 0 1 377.510 3.065 20 0 GGADMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000266667546 1434361509 /nfs/dbraw/zinc/36/15/09/1434361509.db2.gz UALVOEFYTORSJS-AWEZNQCLSA-N 0 1 392.525 3.134 20 0 GGADMN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cnc(-c3ccccc3)[nH]2)n1 ZINC000266682730 1434363359 /nfs/dbraw/zinc/36/33/59/1434363359.db2.gz LPNVMVQPDIYLNQ-CQSZACIVSA-N 0 1 383.452 3.466 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[nH]1 ZINC000266697626 1434364819 /nfs/dbraw/zinc/36/48/19/1434364819.db2.gz DZFJSYBVOUYDPC-UHFFFAOYSA-N 0 1 391.497 3.211 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)n1 ZINC000266697626 1434364821 /nfs/dbraw/zinc/36/48/21/1434364821.db2.gz DZFJSYBVOUYDPC-UHFFFAOYSA-N 0 1 391.497 3.211 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000266709843 1434366169 /nfs/dbraw/zinc/36/61/69/1434366169.db2.gz SQAGXIDEHQPGHN-HOTGVXAUSA-N 0 1 389.540 3.305 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccc(OC)cc3)ccc2NC1=O ZINC000266731549 1434368841 /nfs/dbraw/zinc/36/88/41/1434368841.db2.gz WCCGIGXWALSHKP-LPMFXHHGSA-N 0 1 397.475 3.483 20 0 GGADMN CCOc1ccc(Oc2cc(CNC(=O)CSc3nnc(C)[nH]3)ccn2)cc1 ZINC000266736926 1434369464 /nfs/dbraw/zinc/36/94/64/1434369464.db2.gz JFAOQUSCRCQCMV-UHFFFAOYSA-N 0 1 399.476 3.108 20 0 GGADMN CCOc1ccc(Oc2cc(CNC(=O)CSc3nc(C)n[nH]3)ccn2)cc1 ZINC000266736926 1434369468 /nfs/dbraw/zinc/36/94/68/1434369468.db2.gz JFAOQUSCRCQCMV-UHFFFAOYSA-N 0 1 399.476 3.108 20 0 GGADMN CC[C@H](NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000266807033 1434377370 /nfs/dbraw/zinc/37/73/70/1434377370.db2.gz NWGSVSACJYYLHK-NRFANRHFSA-N 0 1 382.508 3.459 20 0 GGADMN CCN(C(=O)c1cccc(CN2CCN(C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC000266810172 1434377642 /nfs/dbraw/zinc/37/76/42/1434377642.db2.gz IGHCYXPSHAUCNT-UHFFFAOYSA-N 0 1 397.519 3.118 20 0 GGADMN Cc1cc(=O)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c[nH]1 ZINC000266810752 1434377914 /nfs/dbraw/zinc/37/79/14/1434377914.db2.gz FWLAEDQBCYLOKO-UHFFFAOYSA-N 0 1 394.397 3.119 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c(=O)[nH]1 ZINC000266856278 1434382289 /nfs/dbraw/zinc/38/22/89/1434382289.db2.gz SOQTWJPRGICWRF-UHFFFAOYSA-N 0 1 377.448 3.209 20 0 GGADMN COc1ccc([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1OC ZINC000266863291 1434382911 /nfs/dbraw/zinc/38/29/11/1434382911.db2.gz LMXIJPIIXJVWFH-MRXNPFEDSA-N 0 1 384.476 3.027 20 0 GGADMN COc1cccc(OC)c1OC[C@H](O)CNC1(c2nc(C)cs2)CCCC1 ZINC000266873443 1434384009 /nfs/dbraw/zinc/38/40/09/1434384009.db2.gz RRJKGWHXVSXEGZ-OAHLLOKOSA-N 0 1 392.521 3.268 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3nccs3)cc2)C[C@H](C)O1 ZINC000266875078 1434384285 /nfs/dbraw/zinc/38/42/85/1434384285.db2.gz VFGOPPQASYUBHX-HOTGVXAUSA-N 0 1 388.537 3.094 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cn(CC(=O)C(C)(C)C)nn3)[nH]c2c1 ZINC000266891872 1434385896 /nfs/dbraw/zinc/38/58/96/1434385896.db2.gz WMVDJZXYBGASCC-KRWDZBQOSA-N 0 1 394.479 3.055 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000266938949 1434390380 /nfs/dbraw/zinc/39/03/80/1434390380.db2.gz PAKPQGKVZJYNGX-FUHWJXTLSA-N 0 1 397.544 3.156 20 0 GGADMN C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000266938948 1434390467 /nfs/dbraw/zinc/39/04/67/1434390467.db2.gz PAKPQGKVZJYNGX-AEFFLSMTSA-N 0 1 397.544 3.156 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000266970615 1434394231 /nfs/dbraw/zinc/39/42/31/1434394231.db2.gz RUUXTGYVKUECFK-HNNXBMFYSA-N 0 1 384.442 3.207 20 0 GGADMN CCN(C(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)c1cccc(Cl)c1 ZINC000266975711 1434394891 /nfs/dbraw/zinc/39/48/91/1434394891.db2.gz DDBUNQKQFBUDSQ-UHFFFAOYSA-N 0 1 399.764 3.033 20 0 GGADMN CO[C@@H](CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(C)C ZINC000266980823 1434395519 /nfs/dbraw/zinc/39/55/19/1434395519.db2.gz ZDALJTRGJRDIAJ-KRWDZBQOSA-N 0 1 391.537 3.033 20 0 GGADMN CCCCN(C(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)C1CCCCC1 ZINC000266983540 1434395999 /nfs/dbraw/zinc/39/59/99/1434395999.db2.gz GQUASCPTANCUFC-UHFFFAOYSA-N 0 1 399.421 3.288 20 0 GGADMN CC[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1OC(F)F ZINC000266985117 1434396014 /nfs/dbraw/zinc/39/60/14/1434396014.db2.gz PKSJJGAGGZCBOO-KRWDZBQOSA-N 0 1 397.466 3.245 20 0 GGADMN O=C(Nc1cccc(C2SCCS2)c1)N1CCN(C2CCOCC2)CC1 ZINC000267001240 1434397818 /nfs/dbraw/zinc/39/78/18/1434397818.db2.gz DBEBECLDJSYUJN-UHFFFAOYSA-N 0 1 393.578 3.494 20 0 GGADMN CSc1nc2ccc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2s1 ZINC000267023299 1434399934 /nfs/dbraw/zinc/39/99/34/1434399934.db2.gz KTGAFSBFGMLLND-UHFFFAOYSA-N 0 1 392.550 3.347 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000267023953 1434399939 /nfs/dbraw/zinc/39/99/39/1434399939.db2.gz CLEZKZRKHGCRIM-INIZCTEOSA-N 0 1 384.455 3.008 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000267055648 1434403611 /nfs/dbraw/zinc/40/36/11/1434403611.db2.gz GOVLZXJQGLLCGW-UHFFFAOYSA-N 0 1 398.482 3.225 20 0 GGADMN COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000267070704 1434405167 /nfs/dbraw/zinc/40/51/67/1434405167.db2.gz QQSJJPRGOPAQPY-HXUWFJFHSA-N 0 1 389.540 3.289 20 0 GGADMN Cc1ccccc1[C@H]1CCN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000267076867 1434405647 /nfs/dbraw/zinc/40/56/47/1434405647.db2.gz IKRRCWUGBXWSCU-KRWDZBQOSA-N 0 1 380.492 3.177 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(OC2CCOCC2)cc1 ZINC000267101953 1434407586 /nfs/dbraw/zinc/40/75/86/1434407586.db2.gz ADCSQEYHMMZKLY-UHFFFAOYSA-N 0 1 395.503 3.034 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](CO)C1 ZINC000267128114 1434409249 /nfs/dbraw/zinc/40/92/49/1434409249.db2.gz CNQYXGGDYBBPEZ-WMZOPIPTSA-N 0 1 385.533 3.405 20 0 GGADMN Cc1nc(-c2ccc(C)c(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)c2)n[nH]1 ZINC000267169095 1434411926 /nfs/dbraw/zinc/41/19/26/1434411926.db2.gz TZUZSCCDLLMVPD-UHFFFAOYSA-N 0 1 390.451 3.081 20 0 GGADMN CCCN(Cc1ccc(F)cc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000267185168 1434412912 /nfs/dbraw/zinc/41/29/12/1434412912.db2.gz QMERWCOKDWIFPW-UHFFFAOYSA-N 0 1 386.471 3.430 20 0 GGADMN CC(C)(C)[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000267185033 1434412925 /nfs/dbraw/zinc/41/29/25/1434412925.db2.gz QHDJKYYXYQOCJH-LJQANCHMSA-N 0 1 377.504 3.419 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cc(-c4ccccc4)ns3)C2)CC1 ZINC000267208735 1434414318 /nfs/dbraw/zinc/41/43/18/1434414318.db2.gz TYDGNBKIOAJAII-KRWDZBQOSA-N 0 1 385.537 3.054 20 0 GGADMN CCN1CCN([C@H]2CCN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)C2)CC1 ZINC000267224606 1434415233 /nfs/dbraw/zinc/41/52/33/1434415233.db2.gz OPXIQNMMBJZSKB-INIZCTEOSA-N 0 1 396.322 3.260 20 0 GGADMN COc1cccc([C@@H](C)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c1 ZINC000267267621 1434418009 /nfs/dbraw/zinc/41/80/09/1434418009.db2.gz RRIKECKHSPMBDL-UTKZUKDTSA-N 0 1 398.503 3.220 20 0 GGADMN COc1cccc([C@H](C)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)c1 ZINC000267267624 1434418050 /nfs/dbraw/zinc/41/80/50/1434418050.db2.gz RRIKECKHSPMBDL-UWJYYQICSA-N 0 1 398.503 3.220 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)C1 ZINC000267270780 1434418585 /nfs/dbraw/zinc/41/85/85/1434418585.db2.gz ZPHORJKQDOPLDR-WIYYLYMNSA-N 0 1 389.540 3.290 20 0 GGADMN CC[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1nnc2n1CCCCC2 ZINC000267289996 1434419622 /nfs/dbraw/zinc/41/96/22/1434419622.db2.gz BXGDFYFKLLZJIA-JKSUJKDBSA-N 0 1 390.557 3.119 20 0 GGADMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1C ZINC000267334412 1434423772 /nfs/dbraw/zinc/42/37/72/1434423772.db2.gz PBTPGNUDIDMASY-MSOLQXFVSA-N 0 1 393.509 3.003 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)[nH]1 ZINC000267356386 1434425373 /nfs/dbraw/zinc/42/53/73/1434425373.db2.gz VSZGTNHBGIHKOJ-MRXNPFEDSA-N 0 1 384.509 3.500 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)n1 ZINC000267356386 1434425375 /nfs/dbraw/zinc/42/53/75/1434425375.db2.gz VSZGTNHBGIHKOJ-MRXNPFEDSA-N 0 1 384.509 3.500 20 0 GGADMN COc1cc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc(OC)c1OC ZINC000267380797 1434427491 /nfs/dbraw/zinc/42/74/91/1434427491.db2.gz USGLAADCXSHOKA-UHFFFAOYSA-N 0 1 391.443 3.105 20 0 GGADMN O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267381891 1434427823 /nfs/dbraw/zinc/42/78/23/1434427823.db2.gz OXMKRXBZSFCTAA-AWEZNQCLSA-N 0 1 393.409 3.048 20 0 GGADMN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000267426714 1434431620 /nfs/dbraw/zinc/43/16/20/1434431620.db2.gz UDWZFHUBQUDGFZ-INIZCTEOSA-N 0 1 391.475 3.078 20 0 GGADMN Cc1cccnc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000267427333 1434431753 /nfs/dbraw/zinc/43/17/53/1434431753.db2.gz UOFPXWWOYRTKMQ-UHFFFAOYSA-N 0 1 378.398 3.413 20 0 GGADMN CCCCOc1ccc(OC)cc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267426943 1434431774 /nfs/dbraw/zinc/43/17/74/1434431774.db2.gz FHACDTARMGYTRQ-KRWDZBQOSA-N 0 1 391.512 3.060 20 0 GGADMN C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)C[C@H](C)O1 ZINC000267432012 1434432242 /nfs/dbraw/zinc/43/22/42/1434432242.db2.gz VLHMLCHEDZOOOR-CALCHBBNSA-N 0 1 398.507 3.088 20 0 GGADMN C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cncn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000267440628 1434433499 /nfs/dbraw/zinc/43/34/99/1434433499.db2.gz XPPVZJWUIMNGMP-KDURUIRLSA-N 0 1 396.535 3.224 20 0 GGADMN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000267468513 1434437036 /nfs/dbraw/zinc/43/70/36/1434437036.db2.gz XFGPPPMKZJQFOR-NVXWUHKLSA-N 0 1 390.915 3.029 20 0 GGADMN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267468514 1434437091 /nfs/dbraw/zinc/43/70/91/1434437091.db2.gz XFGPPPMKZJQFOR-RDJZCZTQSA-N 0 1 390.915 3.029 20 0 GGADMN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)C(C)(C)C ZINC000267495984 1434440845 /nfs/dbraw/zinc/44/08/45/1434440845.db2.gz YKVZXKLJGRIAEM-LJQANCHMSA-N 0 1 391.475 3.418 20 0 GGADMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000267500733 1434441354 /nfs/dbraw/zinc/44/13/54/1434441354.db2.gz YWCSZIYDHWWBFA-MRXNPFEDSA-N 0 1 391.487 3.333 20 0 GGADMN C[C@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000267560390 1434445736 /nfs/dbraw/zinc/44/57/36/1434445736.db2.gz CXUQBQKWOZWSFB-IEBWSBKVSA-N 0 1 381.524 3.189 20 0 GGADMN C[C@H](C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)N(C)Cc1ccccc1 ZINC000267560390 1434445738 /nfs/dbraw/zinc/44/57/38/1434445738.db2.gz CXUQBQKWOZWSFB-IEBWSBKVSA-N 0 1 381.524 3.189 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC3(CNC(=O)C3)CC2)cc1 ZINC000267616236 1434450326 /nfs/dbraw/zinc/45/03/26/1434450326.db2.gz CILVAEQVRNTSKV-OAQYLSRUSA-N 0 1 377.488 3.277 20 0 GGADMN CO[C@H](C)c1nc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)cs1 ZINC000267626731 1434450969 /nfs/dbraw/zinc/45/09/69/1434450969.db2.gz MPXVVUUQXQQRKL-HIFRSBDPSA-N 0 1 378.498 3.080 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCCC4(CCOCC4)C3)n[nH]2)cc1OC ZINC000267632605 1434451401 /nfs/dbraw/zinc/45/14/01/1434451401.db2.gz WZSVISHTTHGPEX-UHFFFAOYSA-N 0 1 385.464 3.127 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cs1 ZINC000267708656 1434457306 /nfs/dbraw/zinc/45/73/06/1434457306.db2.gz JCQAICUOJCTBCO-AWEZNQCLSA-N 0 1 391.541 3.045 20 0 GGADMN Cc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)ccc1F ZINC000267715497 1434457775 /nfs/dbraw/zinc/45/77/75/1434457775.db2.gz UFAFSVBBMMSSSZ-UONOGXRCSA-N 0 1 378.469 3.215 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCCN(C[C@H](O)c3ccccc3F)CC2)cs1 ZINC000267717132 1434457944 /nfs/dbraw/zinc/45/79/44/1434457944.db2.gz WUTXGUBBHFIPAC-KXBFYZLASA-N 0 1 393.528 3.231 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)CCOC1CCOCC1)c1ccccc1Cl ZINC000267715945 1434457962 /nfs/dbraw/zinc/45/79/62/1434457962.db2.gz AJGOIENYQQPYEN-IBGZPJMESA-N 0 1 382.932 3.425 20 0 GGADMN CCN(CC)[C@H](CNC(=O)CCOC1CCOCC1)c1ccccc1Cl ZINC000267715947 1434458055 /nfs/dbraw/zinc/45/80/55/1434458055.db2.gz AJGOIENYQQPYEN-LJQANCHMSA-N 0 1 382.932 3.425 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000267734482 1434459514 /nfs/dbraw/zinc/45/95/14/1434459514.db2.gz AMUOOMJMVKBYRW-RHSMWYFYSA-N 0 1 399.520 3.385 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000267734479 1434459553 /nfs/dbraw/zinc/45/95/53/1434459553.db2.gz AMUOOMJMVKBYRW-PBHICJAKSA-N 0 1 399.520 3.385 20 0 GGADMN CCC[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)c1nn[nH]n1 ZINC000267737216 1434460018 /nfs/dbraw/zinc/46/00/18/1434460018.db2.gz YCZOVBMJQCIBMR-CQSZACIVSA-N 0 1 393.538 3.105 20 0 GGADMN CO[C@@H](C)c1nc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cs1 ZINC000267775518 1434463414 /nfs/dbraw/zinc/46/34/14/1434463414.db2.gz UHIHTRUKDNSGLN-LRDDRELGSA-N 0 1 380.489 3.092 20 0 GGADMN CO[C@H](C)c1nc(CNC(=O)NC[C@H](C)N2CCc3ccccc3C2)cs1 ZINC000267778402 1434463738 /nfs/dbraw/zinc/46/37/38/1434463738.db2.gz TYWIWYRCGSQORR-LSDHHAIUSA-N 0 1 388.537 3.097 20 0 GGADMN CO[C@@H](C)c1nc(CNC(=O)NC[C@H](C)N2CCc3ccccc3C2)cs1 ZINC000267778394 1434463777 /nfs/dbraw/zinc/46/37/77/1434463777.db2.gz TYWIWYRCGSQORR-GJZGRUSLSA-N 0 1 388.537 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC2(CNC(=O)C2)CC1 ZINC000267788127 1434464709 /nfs/dbraw/zinc/46/47/09/1434464709.db2.gz JCYTZRMNJQJCRG-KRWDZBQOSA-N 0 1 377.488 3.283 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1 ZINC000267797780 1434465961 /nfs/dbraw/zinc/46/59/61/1434465961.db2.gz ITDHMZAFLOZUMS-CYBMUJFWSA-N 0 1 377.462 3.327 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1csc([C@@H](C)OC)n1)c1ccco1 ZINC000267830140 1434468738 /nfs/dbraw/zinc/46/87/38/1434468738.db2.gz INFNOLIGQSSEKH-UKRRQHHQSA-N 0 1 380.514 3.326 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1csc([C@H](C)OC)n1)c1ccco1 ZINC000267830141 1434468781 /nfs/dbraw/zinc/46/87/81/1434468781.db2.gz INFNOLIGQSSEKH-ZFWWWQNUSA-N 0 1 380.514 3.326 20 0 GGADMN CC1(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000267836230 1434469381 /nfs/dbraw/zinc/46/93/81/1434469381.db2.gz YMSSGOJLMQCMIE-UHFFFAOYSA-N 0 1 379.932 3.420 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC2(CNC(=O)C2)CC1)c1ccc2ccccc2c1 ZINC000267844757 1434470171 /nfs/dbraw/zinc/47/01/71/1434470171.db2.gz VNKYACQUHDAWTK-SJORKVTESA-N 0 1 379.504 3.008 20 0 GGADMN O=C1CC2(CN1)CCN([C@@H](c1nc(-c3ccccc3)no1)c1ccccc1)CC2 ZINC000267867080 1434472130 /nfs/dbraw/zinc/47/21/30/1434472130.db2.gz YZOJSALKPDUREQ-HXUWFJFHSA-N 0 1 388.471 3.428 20 0 GGADMN COc1ccc([C@H](O)CNCc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000267981403 1434483311 /nfs/dbraw/zinc/48/33/11/1434483311.db2.gz GHNJYSIFVOTOMI-HXUWFJFHSA-N 0 1 376.884 3.008 20 0 GGADMN COc1ccc([C@@H](O)CNCc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000267981399 1434483331 /nfs/dbraw/zinc/48/33/31/1434483331.db2.gz GHNJYSIFVOTOMI-FQEVSTJZSA-N 0 1 376.884 3.008 20 0 GGADMN Cc1ccnc(Oc2ccc(NC(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000267990026 1434484426 /nfs/dbraw/zinc/48/44/26/1434484426.db2.gz YBCGWPGJYOPUHO-IAGOWNOFSA-N 0 1 399.495 3.198 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)COC1CCOCC1 ZINC000267995460 1434485125 /nfs/dbraw/zinc/48/51/25/1434485125.db2.gz KZEOVEJONWMWAC-UWJYYQICSA-N 0 1 387.524 3.311 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000268017326 1434487425 /nfs/dbraw/zinc/48/74/25/1434487425.db2.gz IHNCUTOARUHYAO-UHFFFAOYSA-N 0 1 377.554 3.065 20 0 GGADMN CC(C)C[C@@H](CCO)CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000268042944 1434490274 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COCCOc1ncccc1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000268781998 1434556583 /nfs/dbraw/zinc/55/65/83/1434556583.db2.gz PZRGOVHQZKJFSD-MRXNPFEDSA-N 0 1 386.496 3.488 20 0 GGADMN C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000268784835 1434557086 /nfs/dbraw/zinc/55/70/86/1434557086.db2.gz BZBRZKHMEQRNGU-QGZVFWFLSA-N 0 1 396.487 3.171 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCCc3c2cnn3C)ccc1S(=O)(=O)C(F)F ZINC000268786829 1434557359 /nfs/dbraw/zinc/55/73/59/1434557359.db2.gz BSLAKIBVEIGXOU-RISCZKNCSA-N 0 1 399.463 3.153 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000268786537 1434557402 /nfs/dbraw/zinc/55/74/02/1434557402.db2.gz KINQCLGJKUJPOI-INIZCTEOSA-N 0 1 395.431 3.295 20 0 GGADMN C[C@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000268793663 1434557933 /nfs/dbraw/zinc/55/79/33/1434557933.db2.gz HEUNNYVCOMGINL-JXFKEZNVSA-N 0 1 386.467 3.351 20 0 GGADMN COc1ccc([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)c(OC)c1 ZINC000268795594 1434557951 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CCOc1ccc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000268798726 1434558626 /nfs/dbraw/zinc/55/86/26/1434558626.db2.gz FOPDFGXVLJIPJT-CQSZACIVSA-N 0 1 388.464 3.400 20 0 GGADMN CCc1nc2c(s1)[C@@H](NCc1cccc(C(=O)N3CCOCC3)c1)CCC2 ZINC000268810461 1434560246 /nfs/dbraw/zinc/56/02/46/1434560246.db2.gz OALIEXCXGAQPGL-KRWDZBQOSA-N 0 1 385.533 3.345 20 0 GGADMN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000268814071 1434560609 /nfs/dbraw/zinc/56/06/09/1434560609.db2.gz LYRXSLRQJJDMSR-LBPRGKRZSA-N 0 1 382.432 3.492 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000268820220 1434561066 /nfs/dbraw/zinc/56/10/66/1434561066.db2.gz RNOZQISOFIKBOZ-OAHLLOKOSA-N 0 1 383.448 3.250 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000268820216 1434561135 /nfs/dbraw/zinc/56/11/35/1434561135.db2.gz RNKROYLXHMRGKQ-CQSZACIVSA-N 0 1 388.464 3.319 20 0 GGADMN O=C(COc1ccccc1CN[C@@H]1CCc2c1cccc2F)NC[C@H]1CCCO1 ZINC000268823998 1434561385 /nfs/dbraw/zinc/56/13/85/1434561385.db2.gz SYAZLNVBGXKSAS-DYESRHJHSA-N 0 1 398.478 3.277 20 0 GGADMN COc1ccc([C@H](C)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)c(F)c1 ZINC000268823764 1434561453 /nfs/dbraw/zinc/56/14/53/1434561453.db2.gz MOURNQPVYFTEQE-AWEZNQCLSA-N 0 1 390.455 3.161 20 0 GGADMN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268831718 1434562199 /nfs/dbraw/zinc/56/21/99/1434562199.db2.gz CJLYVHPFVYHCSG-CQSZACIVSA-N 0 1 386.843 3.032 20 0 GGADMN CCNC(=O)c1ccc(CN[C@@H](CC)c2ccccc2OCC(=O)N(C)C)cc1 ZINC000268832615 1434562451 /nfs/dbraw/zinc/56/24/51/1434562451.db2.gz RIKNKQGGFZBCKU-FQEVSTJZSA-N 0 1 397.519 3.144 20 0 GGADMN COc1cc([C@@H](C)NCc2ccc3c(c2)OCCCO3)ccc1S(C)(=O)=O ZINC000268838888 1434562944 /nfs/dbraw/zinc/56/29/44/1434562944.db2.gz MFCWIYYRPOJUHA-CQSZACIVSA-N 0 1 391.489 3.111 20 0 GGADMN COc1cc([C@H](C)NCc2ccc3c(c2)OCCCO3)ccc1S(C)(=O)=O ZINC000268838885 1434562961 /nfs/dbraw/zinc/56/29/61/1434562961.db2.gz MFCWIYYRPOJUHA-AWEZNQCLSA-N 0 1 391.489 3.111 20 0 GGADMN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268841972 1434563194 /nfs/dbraw/zinc/56/31/94/1434563194.db2.gz CQHQBOYYSCBDSC-AWEZNQCLSA-N 0 1 375.860 3.099 20 0 GGADMN CCOc1cc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1OC(F)F ZINC000268841469 1434563294 /nfs/dbraw/zinc/56/32/94/1434563294.db2.gz MYIXGPQXTDFTFO-CYBMUJFWSA-N 0 1 380.395 3.287 20 0 GGADMN CCOc1c(Cl)cc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1OC ZINC000268842646 1434563551 /nfs/dbraw/zinc/56/35/51/1434563551.db2.gz NIDGFBJSKUCAOE-AWEZNQCLSA-N 0 1 378.860 3.347 20 0 GGADMN CCOc1cc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OC ZINC000268843560 1434563608 /nfs/dbraw/zinc/56/36/08/1434563608.db2.gz AUUJTGQESOGESI-AWEZNQCLSA-N 0 1 393.505 3.357 20 0 GGADMN CCOc1c(Cl)cc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1OC ZINC000268843705 1434563733 /nfs/dbraw/zinc/56/37/33/1434563733.db2.gz NIDGFBJSKUCAOE-CQSZACIVSA-N 0 1 378.860 3.347 20 0 GGADMN COCCOc1ccc([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)cc1OC ZINC000268845580 1434563942 /nfs/dbraw/zinc/56/39/42/1434563942.db2.gz RPVTUOOWSSVJOY-MRXNPFEDSA-N 0 1 398.503 3.463 20 0 GGADMN COCCOc1ccc([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)cc1OC ZINC000268845578 1434564055 /nfs/dbraw/zinc/56/40/55/1434564055.db2.gz RPVTUOOWSSVJOY-INIZCTEOSA-N 0 1 398.503 3.463 20 0 GGADMN COc1cc([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)cc(OC)c1OC ZINC000268864198 1434565904 /nfs/dbraw/zinc/56/59/04/1434565904.db2.gz WCRVWRPHAZSPDV-AWEZNQCLSA-N 0 1 384.476 3.455 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000268864371 1434565935 /nfs/dbraw/zinc/56/59/35/1434565935.db2.gz SFUVEARRGVRHRS-OAQYLSRUSA-N 0 1 397.494 3.498 20 0 GGADMN O=C(Cc1ccco1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000268871749 1434566369 /nfs/dbraw/zinc/56/63/69/1434566369.db2.gz XZZIZALWXVWXGK-UHFFFAOYSA-N 0 1 390.487 3.221 20 0 GGADMN COc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1N1CCCCC1=O ZINC000268871008 1434566505 /nfs/dbraw/zinc/56/65/05/1434566505.db2.gz GFUXQBABZCBAJY-HNNXBMFYSA-N 0 1 383.452 3.134 20 0 GGADMN C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000268909417 1434569862 /nfs/dbraw/zinc/56/98/62/1434569862.db2.gz SGDNXTCIRXDDKK-MRXNPFEDSA-N 0 1 397.475 3.447 20 0 GGADMN COc1ccc(CN[C@@H](C)c2cccc(N3CCOCC3)c2)c(OC)c1OC ZINC000268908491 1434569986 /nfs/dbraw/zinc/56/99/86/1434569986.db2.gz YIJAIYDEAKRRHP-INIZCTEOSA-N 0 1 386.492 3.400 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C(=O)N[C@H]3CCCc4cn[nH]c43)n2)cc1C ZINC000268918337 1434571004 /nfs/dbraw/zinc/57/10/04/1434571004.db2.gz CEKFDZWVYUZHJD-HNNXBMFYSA-N 0 1 395.488 3.282 20 0 GGADMN CC(C)COc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000268918335 1434571107 /nfs/dbraw/zinc/57/11/07/1434571107.db2.gz CEDONMJETLNBPB-OAHLLOKOSA-N 0 1 390.871 3.230 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268922276 1434571592 /nfs/dbraw/zinc/57/15/92/1434571592.db2.gz CXTYASDOCFEJSX-IAGOWNOFSA-N 0 1 384.480 3.039 20 0 GGADMN COc1cc(OC)c(OC)cc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000268923881 1434571611 /nfs/dbraw/zinc/57/16/11/1434571611.db2.gz VLXQPDJHVDSSBQ-HNNXBMFYSA-N 0 1 389.452 3.264 20 0 GGADMN COCCOc1ccc([C@@H](C)NCC(=O)N(C)C2CCCCC2)cc1OC ZINC000268930794 1434572132 /nfs/dbraw/zinc/57/21/32/1434572132.db2.gz MEBYELYVIYBMBC-MRXNPFEDSA-N 0 1 378.513 3.162 20 0 GGADMN CCOc1cccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)c1OC(F)F ZINC000268929987 1434572175 /nfs/dbraw/zinc/57/21/75/1434572175.db2.gz ZCTPNOCTKKBOCD-CYBMUJFWSA-N 0 1 380.395 3.287 20 0 GGADMN CCOc1ccccc1NC(=O)CCN(CC)CC(=O)Nc1ccccc1OC ZINC000268936029 1434572628 /nfs/dbraw/zinc/57/26/28/1434572628.db2.gz HRVXSPKUUNGRJD-UHFFFAOYSA-N 0 1 399.491 3.383 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000268936305 1434572895 /nfs/dbraw/zinc/57/28/95/1434572895.db2.gz CBGRLNQCEJXEOT-CVEARBPZSA-N 0 1 378.835 3.363 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000268936312 1434572957 /nfs/dbraw/zinc/57/29/57/1434572957.db2.gz CBGRLNQCEJXEOT-HZPDHXFCSA-N 0 1 378.835 3.363 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000268936309 1434572962 /nfs/dbraw/zinc/57/29/62/1434572962.db2.gz CBGRLNQCEJXEOT-HOTGVXAUSA-N 0 1 378.835 3.363 20 0 GGADMN O=C(Cn1c2ccccc2nc1SC(F)F)N[C@@H]1CCCc2cn[nH]c21 ZINC000268949786 1434574387 /nfs/dbraw/zinc/57/43/87/1434574387.db2.gz HZODYVBNWBRQIT-GFCCVEGCSA-N 0 1 377.420 3.268 20 0 GGADMN O=C(Nc1ccccc1SC(F)(F)F)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268955342 1434575307 /nfs/dbraw/zinc/57/53/07/1434575307.db2.gz IUJRCZGPOULOCB-NSHDSACASA-N 0 1 384.383 3.154 20 0 GGADMN C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268961700 1434575728 /nfs/dbraw/zinc/57/57/28/1434575728.db2.gz FXYRFIKPPPAZQR-MRXNPFEDSA-N 0 1 399.466 3.470 20 0 GGADMN C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000268966973 1434576435 /nfs/dbraw/zinc/57/64/35/1434576435.db2.gz HDKOQTHXFVAARD-MRXNPFEDSA-N 0 1 399.466 3.470 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nnc(CC(F)(F)F)s1)c1ccc(F)cc1 ZINC000268968411 1434576725 /nfs/dbraw/zinc/57/67/25/1434576725.db2.gz YFHKTDUWMAOFPY-NSHDSACASA-N 0 1 391.394 3.206 20 0 GGADMN Cc1cccc(-c2ccc(CNC(=O)C(=O)N[C@@H]3CCCc4cn[nH]c43)cc2)c1 ZINC000268993807 1434579222 /nfs/dbraw/zinc/57/92/22/1434579222.db2.gz PLTVWKHREXSOHJ-HXUWFJFHSA-N 0 1 388.471 3.195 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000268995488 1434579631 /nfs/dbraw/zinc/57/96/31/1434579631.db2.gz GCQIYSFRSCNSEX-KRWDZBQOSA-N 0 1 391.475 3.074 20 0 GGADMN O=C(Nc1cc(F)ccc1SCC(F)F)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269002128 1434580193 /nfs/dbraw/zinc/58/01/93/1434580193.db2.gz QURCCVLIMPARJE-LLVKDONJSA-N 0 1 398.410 3.038 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1OCCC(C)C ZINC000269010726 1434581002 /nfs/dbraw/zinc/58/10/02/1434581002.db2.gz SLTCMZKZOOSDHK-KRWDZBQOSA-N 0 1 384.480 3.275 20 0 GGADMN O=C(CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CCCc2cn[nH]c21 ZINC000269023865 1434583001 /nfs/dbraw/zinc/58/30/01/1434583001.db2.gz KOEYCVRWLXZDPS-GFCCVEGCSA-N 0 1 388.880 3.201 20 0 GGADMN CN(C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1)C(=O)OC(C)(C)C ZINC000269025513 1434583011 /nfs/dbraw/zinc/58/30/11/1434583011.db2.gz KAEWLAFQLXBKLD-HOCLYGCPSA-N 0 1 391.516 3.076 20 0 GGADMN CCOC(=O)N1[C@H](C(=O)N[C@H]2CCCc3cn[nH]c32)CC[C@H]1c1ccc(C)o1 ZINC000269037204 1434584922 /nfs/dbraw/zinc/58/49/22/1434584922.db2.gz XTXNFXMIUABUDA-JYJNAYRXSA-N 0 1 386.452 3.167 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000269046837 1434585465 /nfs/dbraw/zinc/58/54/65/1434585465.db2.gz ZIXOCMVENRKFLH-SGTLLEGYSA-N 0 1 388.880 3.186 20 0 GGADMN COc1ccc(CN(C)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1OC(F)F ZINC000269049545 1434585709 /nfs/dbraw/zinc/58/57/09/1434585709.db2.gz UQXDNIYRMKJLOI-ZDUSSCGKSA-N 0 1 380.395 3.239 20 0 GGADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000269049605 1434585855 /nfs/dbraw/zinc/58/58/55/1434585855.db2.gz UURCIMUHAQVKEC-MOPGFXCFSA-N 0 1 384.480 3.187 20 0 GGADMN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000269049608 1434585923 /nfs/dbraw/zinc/58/59/23/1434585923.db2.gz UURCIMUHAQVKEC-OALUTQOASA-N 0 1 384.480 3.187 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc2c(c1)CCCN2 ZINC000269146925 1434597275 /nfs/dbraw/zinc/59/72/75/1434597275.db2.gz GRWLPFSPGCBOML-UHFFFAOYSA-N 0 1 380.473 3.072 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)c2C1 ZINC000269183616 1434603380 /nfs/dbraw/zinc/60/33/80/1434603380.db2.gz YFLKYVHNFFASOD-WMZOPIPTSA-N 0 1 399.535 3.203 20 0 GGADMN CC(C)c1ccc(CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000269214317 1434608092 /nfs/dbraw/zinc/60/80/92/1434608092.db2.gz DACVPPNVNNXVHZ-QFIPXVFZSA-N 0 1 376.504 3.241 20 0 GGADMN c1cc(N2CCOCC2)ncc1CN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000269285198 1434617928 /nfs/dbraw/zinc/61/79/28/1434617928.db2.gz MBGJFJBWPBFJGJ-NRFANRHFSA-N 0 1 379.504 3.410 20 0 GGADMN COc1cc(NC(=O)CCN(C)Cc2nc3ccccc3o2)cc(OC)c1OC ZINC000269305952 1434620772 /nfs/dbraw/zinc/62/07/72/1434620772.db2.gz FYUFFGZPOXZUEP-UHFFFAOYSA-N 0 1 399.447 3.314 20 0 GGADMN CCNc1ncc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)s1 ZINC000269338871 1434627229 /nfs/dbraw/zinc/62/72/29/1434627229.db2.gz AXXGTTYVFCTXQI-UHFFFAOYSA-N 0 1 382.493 3.380 20 0 GGADMN O=C(N[C@H]1CCOC2(CCC2)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000269351515 1434629753 /nfs/dbraw/zinc/62/97/53/1434629753.db2.gz RPLQVRJYVVRYNC-SFHVURJKSA-N 0 1 395.507 3.462 20 0 GGADMN CSc1n[nH]c(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1 ZINC000269471234 1434650641 /nfs/dbraw/zinc/65/06/41/1434650641.db2.gz SXAPAACHHPXCLF-LBPRGKRZSA-N 0 1 377.470 3.121 20 0 GGADMN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000269554959 1434659092 /nfs/dbraw/zinc/65/90/92/1434659092.db2.gz VQTXVMOPEKKVHB-JTQLQIEISA-N 0 1 386.399 3.436 20 0 GGADMN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000269554961 1434659095 /nfs/dbraw/zinc/65/90/95/1434659095.db2.gz VQTXVMOPEKKVHB-SNVBAGLBSA-N 0 1 386.399 3.436 20 0 GGADMN COc1cc(OC)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1OC ZINC000269588573 1434661519 /nfs/dbraw/zinc/66/15/19/1434661519.db2.gz APHBKOHRVMLQPE-HNNXBMFYSA-N 0 1 399.491 3.063 20 0 GGADMN COc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(OC)c1OC ZINC000269588715 1434661548 /nfs/dbraw/zinc/66/15/48/1434661548.db2.gz AZOIQOKZNVRXQE-OAHLLOKOSA-N 0 1 399.491 3.063 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000269595995 1434662161 /nfs/dbraw/zinc/66/21/61/1434662161.db2.gz DXWIPFHRDTXRHT-ZDUSSCGKSA-N 0 1 378.398 3.451 20 0 GGADMN COc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(Cl)n1 ZINC000269606464 1434663005 /nfs/dbraw/zinc/66/30/05/1434663005.db2.gz MQDSHKRCHWGIOL-CYBMUJFWSA-N 0 1 389.887 3.486 20 0 GGADMN CC(C)n1ncc2cc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cnc21 ZINC000269615756 1434663855 /nfs/dbraw/zinc/66/38/55/1434663855.db2.gz OWKGAVGGHPLUQI-MRXNPFEDSA-N 0 1 392.507 3.363 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000269621637 1434664352 /nfs/dbraw/zinc/66/43/52/1434664352.db2.gz NDJIYBJGQCKOCX-INIZCTEOSA-N 0 1 387.524 3.222 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2cccc(F)c2F)CC1 ZINC000269623410 1434664389 /nfs/dbraw/zinc/66/43/89/1434664389.db2.gz QXOYIWBPCJMKPD-OAHLLOKOSA-N 0 1 388.462 3.427 20 0 GGADMN COCCn1cc(S(=O)(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cn1 ZINC000269639222 1434665807 /nfs/dbraw/zinc/66/58/07/1434665807.db2.gz RBEMDVYHTYBTSE-INIZCTEOSA-N 0 1 392.525 3.018 20 0 GGADMN CCCCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccn2)cc1 ZINC000269681540 1434668962 /nfs/dbraw/zinc/66/89/62/1434668962.db2.gz FLVYAKNLZRGDJL-UHFFFAOYSA-N 0 1 391.493 3.153 20 0 GGADMN CC(C)CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccn2)cc1 ZINC000269702063 1434670496 /nfs/dbraw/zinc/67/04/96/1434670496.db2.gz MTMKNLWBVJXDNX-UHFFFAOYSA-N 0 1 391.493 3.009 20 0 GGADMN CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc(F)cc2O)c2ccc(Cl)cc21 ZINC000269709562 1434671126 /nfs/dbraw/zinc/67/11/26/1434671126.db2.gz NKVMBKOIUOIRBA-NSHDSACASA-N 0 1 376.815 3.407 20 0 GGADMN CN(C1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1)S(C)(=O)=O ZINC000269753886 1434673939 /nfs/dbraw/zinc/67/39/39/1434673939.db2.gz SNDYAYCMNIXADT-UHFFFAOYSA-N 0 1 387.427 3.114 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000269763174 1434674201 /nfs/dbraw/zinc/67/42/01/1434674201.db2.gz ZIMWRHYKPHPNOK-LBPRGKRZSA-N 0 1 387.427 3.019 20 0 GGADMN CS(=O)(=O)NC[C@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000269763169 1434674281 /nfs/dbraw/zinc/67/42/81/1434674281.db2.gz ZIMWRHYKPHPNOK-GFCCVEGCSA-N 0 1 387.427 3.019 20 0 GGADMN COc1cc(CN[C@@H]2CCc3c2c(F)ccc3F)ccc1OCC(=O)N(C)C ZINC000269805900 1434677201 /nfs/dbraw/zinc/67/72/01/1434677201.db2.gz FPESOWFVYGSARY-QGZVFWFLSA-N 0 1 390.430 3.218 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269881496 1434683852 /nfs/dbraw/zinc/68/38/52/1434683852.db2.gz SBMHKWIBOZNWOP-FQEVSTJZSA-N 0 1 385.458 3.410 20 0 GGADMN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H](O)c1cnn(C)c1 ZINC000269949230 1434689079 /nfs/dbraw/zinc/68/90/79/1434689079.db2.gz GUHOEWHOVZKVJD-GOSISDBHSA-N 0 1 387.915 3.265 20 0 GGADMN CC1(C)C[C@@H](NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)CCO1 ZINC000269969806 1434690841 /nfs/dbraw/zinc/69/08/41/1434690841.db2.gz OBYQXSIJPNXXRY-KRWDZBQOSA-N 0 1 383.496 3.318 20 0 GGADMN CC1(C)C[C@H](NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)CCO1 ZINC000269969809 1434690877 /nfs/dbraw/zinc/69/08/77/1434690877.db2.gz OBYQXSIJPNXXRY-QGZVFWFLSA-N 0 1 383.496 3.318 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000270042393 1434695825 /nfs/dbraw/zinc/69/58/25/1434695825.db2.gz ASROHEXLMRTDJR-DCOBRAFBSA-N 0 1 391.512 3.226 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000270042392 1434695959 /nfs/dbraw/zinc/69/59/59/1434695959.db2.gz ASROHEXLMRTDJR-BWWRXRRYSA-N 0 1 391.512 3.226 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(OC)c(O)c(OC)c2)cc1 ZINC000270207475 1434713009 /nfs/dbraw/zinc/71/30/09/1434713009.db2.gz KTWTWCSKUNSASM-ZDUSSCGKSA-N 0 1 379.478 3.054 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000270241574 1434715935 /nfs/dbraw/zinc/71/59/35/1434715935.db2.gz QLCGSWYXGZWTJX-AWEZNQCLSA-N 0 1 393.505 3.357 20 0 GGADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc([S@](C)=O)cc1 ZINC000270295206 1434720537 /nfs/dbraw/zinc/72/05/37/1434720537.db2.gz XOQHMVAMARAIDB-RXAIFQJESA-N 0 1 391.512 3.055 20 0 GGADMN O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1CCN(C2CCC2)CC1 ZINC000270329296 1434724030 /nfs/dbraw/zinc/72/40/30/1434724030.db2.gz LZECCKOJNQJQSW-UHFFFAOYSA-N 0 1 377.492 3.304 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000270346198 1434724991 /nfs/dbraw/zinc/72/49/91/1434724991.db2.gz QVTVMQKIPQOPKW-ZDUSSCGKSA-N 0 1 390.459 3.355 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H](c3ccc(F)c(C)c3)C3CC3)C2)CC1 ZINC000270355049 1434725869 /nfs/dbraw/zinc/72/58/69/1434725869.db2.gz HHDIPBFFUOYYMZ-FPOVZHCZSA-N 0 1 388.531 3.007 20 0 GGADMN Cc1cc([C@H](NC(=O)N2CCN(C3CCOCC3)CC2)C2CC2)ccc1F ZINC000270385942 1434728869 /nfs/dbraw/zinc/72/88/69/1434728869.db2.gz QSPAWMHDOUIGDW-HXUWFJFHSA-N 0 1 375.488 3.091 20 0 GGADMN Cc1ncc(-c2ccccc2)cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000270473399 1434736560 /nfs/dbraw/zinc/73/65/60/1434736560.db2.gz BQEHFHQOGOKBOG-UHFFFAOYSA-N 0 1 380.492 3.386 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@@H+]2Cc3ccccc3C(C)(C)C2)C1=O ZINC000270473478 1434736591 /nfs/dbraw/zinc/73/65/91/1434736591.db2.gz ZVTBWEYIZNPJBQ-IBGZPJMESA-N 0 1 392.455 3.119 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@H+]2Cc3ccccc3C(C)(C)C2)C1=O ZINC000270473478 1434736593 /nfs/dbraw/zinc/73/65/93/1434736593.db2.gz ZVTBWEYIZNPJBQ-IBGZPJMESA-N 0 1 392.455 3.119 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000270476516 1434736921 /nfs/dbraw/zinc/73/69/21/1434736921.db2.gz MQZINWNSBKWZDY-KRWDZBQOSA-N 0 1 389.883 3.166 20 0 GGADMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000270517090 1434740464 /nfs/dbraw/zinc/74/04/64/1434740464.db2.gz ZWLGYTSGQPTJLH-OXJNMPFZSA-N 0 1 387.505 3.121 20 0 GGADMN C[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270547637 1434743376 /nfs/dbraw/zinc/74/33/76/1434743376.db2.gz FGGZOJZNASHCBX-DDUZABMNSA-N 0 1 393.894 3.056 20 0 GGADMN Cn1cccc1CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270548170 1434743863 /nfs/dbraw/zinc/74/38/63/1434743863.db2.gz AQKYBQSYZAJULM-KDOFPFPSSA-N 0 1 378.879 3.310 20 0 GGADMN COc1cc(CNC[C@](C)(O)C(F)(F)F)ccc1OCc1c(C)noc1C ZINC000270561997 1434744940 /nfs/dbraw/zinc/74/49/40/1434744940.db2.gz QEEZOFLYRSHECP-KRWDZBQOSA-N 0 1 388.386 3.282 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270577297 1434746438 /nfs/dbraw/zinc/74/64/38/1434746438.db2.gz AEXXIORMSISFOS-SNVBAGLBSA-N 0 1 383.374 3.071 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)n[nH]1 ZINC000270584912 1434747376 /nfs/dbraw/zinc/74/73/76/1434747376.db2.gz ARDTWNAEGIDZQZ-NSHDSACASA-N 0 1 377.876 3.496 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 ZINC000270583473 1434747404 /nfs/dbraw/zinc/74/74/04/1434747404.db2.gz ARDPZFFHVSBEAJ-OLZOCXBDSA-N 0 1 384.484 3.398 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC000270588778 1434747613 /nfs/dbraw/zinc/74/76/13/1434747613.db2.gz BFIWDLOIRNEKBG-HZMBPMFUSA-N 0 1 379.411 3.406 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC000270588787 1434747691 /nfs/dbraw/zinc/74/76/91/1434747691.db2.gz BFIWDLOIRNEKBG-QMTHXVAHSA-N 0 1 379.411 3.406 20 0 GGADMN CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000270594093 1434748386 /nfs/dbraw/zinc/74/83/86/1434748386.db2.gz DEIHNZMNMLXUDT-NVXWUHKLSA-N 0 1 375.490 3.143 20 0 GGADMN CC[C@@H](Cc1ccc(OC)c(OC)c1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000270594091 1434748527 /nfs/dbraw/zinc/74/85/27/1434748527.db2.gz DEIHNZMNMLXUDT-DOTOQJQBSA-N 0 1 375.490 3.143 20 0 GGADMN CCOCCOc1cc(C)ccc1CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270598176 1434748658 /nfs/dbraw/zinc/74/86/58/1434748658.db2.gz DJQMVCLOSRVNFF-HNNXBMFYSA-N 0 1 389.500 3.212 20 0 GGADMN COc1ccc([C@H](CCO)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000270598811 1434748668 /nfs/dbraw/zinc/74/86/68/1434748668.db2.gz FGZFVMFFPLWQJJ-KSSFIOAISA-N 0 1 375.465 3.495 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cccc(CSCCC(=O)OC)c2)n[nH]1 ZINC000270597444 1434748811 /nfs/dbraw/zinc/74/88/11/1434748811.db2.gz CGIXFLPEMNBERV-LBPRGKRZSA-N 0 1 391.497 3.046 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)n[nH]1 ZINC000270606186 1434749497 /nfs/dbraw/zinc/74/94/97/1434749497.db2.gz DRVUAQRWAQNKFH-OAHLLOKOSA-N 0 1 379.464 3.449 20 0 GGADMN CCOc1c(Cl)cc(C=CC(=O)N[C@H](C)c2n[nH]c(CC)n2)cc1OC ZINC000270603294 1434749700 /nfs/dbraw/zinc/74/97/00/1434749700.db2.gz DGJIUZYGSOHIHC-WSKFYRRCSA-N 0 1 378.860 3.318 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)n[nH]1 ZINC000270606193 1434749707 /nfs/dbraw/zinc/74/97/07/1434749707.db2.gz FKVGZCKRKZZNGL-VIFPVBQESA-N 0 1 383.424 3.059 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)n[nH]1 ZINC000270607671 1434750203 /nfs/dbraw/zinc/75/02/03/1434750203.db2.gz FSPAOHNJTPMXDZ-AWEZNQCLSA-N 0 1 399.495 3.142 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)n[nH]1 ZINC000270612534 1434750352 /nfs/dbraw/zinc/75/03/52/1434750352.db2.gz GMTCINHLSUXPCV-AWEZNQCLSA-N 0 1 398.511 3.123 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C2CCN(c3nc4ccccc4o3)CC2)n[nH]1 ZINC000270612958 1434750548 /nfs/dbraw/zinc/75/05/48/1434750548.db2.gz FNPOEFCLKSSWBL-CYBMUJFWSA-N 0 1 382.468 3.163 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C2CCN(c3nc4ccccc4o3)CC2)n[nH]1 ZINC000270612962 1434750567 /nfs/dbraw/zinc/75/05/67/1434750567.db2.gz FNPOEFCLKSSWBL-ZDUSSCGKSA-N 0 1 382.468 3.163 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)n[nH]1 ZINC000270614257 1434750946 /nfs/dbraw/zinc/75/09/46/1434750946.db2.gz FSIWUDLCCAADIB-JTQLQIEISA-N 0 1 378.358 3.063 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1 ZINC000270615594 1434750966 /nfs/dbraw/zinc/75/09/66/1434750966.db2.gz FJIQQZGJYIIJBT-YVEFUNNKSA-N 0 1 385.468 3.211 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)n[nH]1 ZINC000270617219 1434751491 /nfs/dbraw/zinc/75/14/91/1434751491.db2.gz FNFRDIOZRCOSKK-CQSZACIVSA-N 0 1 384.484 3.266 20 0 GGADMN COCCOc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270618555 1434751565 /nfs/dbraw/zinc/75/15/65/1434751565.db2.gz FQJATVAZEOYJGS-LLVKDONJSA-N 0 1 381.864 3.489 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)n[nH]1 ZINC000270617120 1434751652 /nfs/dbraw/zinc/75/16/52/1434751652.db2.gz FMBYRKZXCHQAMS-JTQLQIEISA-N 0 1 398.389 3.103 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)cc21 ZINC000270619828 1434752092 /nfs/dbraw/zinc/75/20/92/1434752092.db2.gz HOKIBDJPCGUIMP-CYBMUJFWSA-N 0 1 382.468 3.109 20 0 GGADMN Cc1ncc(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000270628493 1434752998 /nfs/dbraw/zinc/75/29/98/1434752998.db2.gz GSHHIRZVZJBLII-GUYCJALGSA-N 0 1 377.851 3.392 20 0 GGADMN COc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc(OC)c1O ZINC000270628133 1434753116 /nfs/dbraw/zinc/75/31/16/1434753116.db2.gz BTVFYLLDQSPDHL-HNNXBMFYSA-N 0 1 383.404 3.390 20 0 GGADMN Cc1ncc(NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000270628491 1434753325 /nfs/dbraw/zinc/75/33/25/1434753325.db2.gz GSHHIRZVZJBLII-CXAGYDPISA-N 0 1 377.851 3.392 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n[nH]1 ZINC000270632333 1434753454 /nfs/dbraw/zinc/75/34/54/1434753454.db2.gz HDDCWEFWYONJIR-OLZOCXBDSA-N 0 1 399.499 3.333 20 0 GGADMN CC(C)CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270635926 1434753857 /nfs/dbraw/zinc/75/38/57/1434753857.db2.gz JVEFLPLGLKJLNP-AWEZNQCLSA-N 0 1 387.484 3.169 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)n[nH]1 ZINC000270637410 1434754240 /nfs/dbraw/zinc/75/42/40/1434754240.db2.gz KDPFNPQSLHPYKI-CQSZACIVSA-N 0 1 399.495 3.032 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000270643014 1434755266 /nfs/dbraw/zinc/75/52/66/1434755266.db2.gz KFASZUMHRZSORM-HNNXBMFYSA-N 0 1 388.459 3.085 20 0 GGADMN CCOCCOc1ccc(Cl)cc1NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000270651973 1434756454 /nfs/dbraw/zinc/75/64/54/1434756454.db2.gz JDXWPMJXJRIKGS-LLVKDONJSA-N 0 1 381.864 3.319 20 0 GGADMN CN1CC[C@@H](CNC(=O)COc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270654704 1434756999 /nfs/dbraw/zinc/75/69/99/1434756999.db2.gz PKIAQJJTXDOBEE-LIRRHRJNSA-N 0 1 377.847 3.062 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000270656250 1434757039 /nfs/dbraw/zinc/75/70/39/1434757039.db2.gz JPJMFZPJHHMZLZ-KGLIPLIRSA-N 0 1 384.484 3.176 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000270656248 1434757176 /nfs/dbraw/zinc/75/71/76/1434757176.db2.gz JPJMFZPJHHMZLZ-KBPBESRZSA-N 0 1 384.484 3.176 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000270656252 1434757221 /nfs/dbraw/zinc/75/72/21/1434757221.db2.gz JPJMFZPJHHMZLZ-UONOGXRCSA-N 0 1 384.484 3.176 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n[nH]1 ZINC000270657680 1434757607 /nfs/dbraw/zinc/75/76/07/1434757607.db2.gz JUJDOHNSHZQQJP-RBSFLKMASA-N 0 1 386.500 3.424 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)n[nH]1 ZINC000270657682 1434757688 /nfs/dbraw/zinc/75/76/88/1434757688.db2.gz JUJDOHNSHZQQJP-ZNMIVQPWSA-N 0 1 386.500 3.424 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)n[nH]1 ZINC000270660021 1434757958 /nfs/dbraw/zinc/75/79/58/1434757958.db2.gz KBRCYKQKTRNUNS-CYBMUJFWSA-N 0 1 391.903 3.129 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccccc2OCCn2ccnc2)n[nH]1 ZINC000270659934 1434758038 /nfs/dbraw/zinc/75/80/38/1434758038.db2.gz KANWZVHQJFVYBW-CQSZACIVSA-N 0 1 383.456 3.086 20 0 GGADMN 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/nfs/dbraw/zinc/76/75/02/1434767502.db2.gz JMLPWGQZWGNXAB-FZKQIMNGSA-N 0 1 390.443 3.312 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cccnc2Oc2cccc(OC)c2)n[nH]1 ZINC000270731609 1434767584 /nfs/dbraw/zinc/76/75/84/1434767584.db2.gz YNNQLMKFAREBBJ-CYBMUJFWSA-N 0 1 396.451 3.123 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n[nH]1 ZINC000270730583 1434767661 /nfs/dbraw/zinc/76/76/61/1434767661.db2.gz JMLPWGQZWGNXAB-SCLBCKFNSA-N 0 1 390.443 3.312 20 0 GGADMN CC(C)Sc1ccccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270736453 1434768247 /nfs/dbraw/zinc/76/82/47/1434768247.db2.gz ZHQIDDUTWUDTSV-GFCCVEGCSA-N 0 1 375.498 3.245 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)n[nH]1 ZINC000270738420 1434768378 /nfs/dbraw/zinc/76/83/78/1434768378.db2.gz KUDFXUOEZOFBNQ-RNCFNFMXSA-N 0 1 393.900 3.262 20 0 GGADMN COC(=O)CCSc1cccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270740033 1434768751 /nfs/dbraw/zinc/76/87/51/1434768751.db2.gz NALLBMDXSIYSRO-GFCCVEGCSA-N 0 1 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CC(C)c1nc([C@H](C)NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n[nH]1 ZINC000270756492 1434770469 /nfs/dbraw/zinc/77/04/69/1434770469.db2.gz NTRDVDBYGGLRRH-HNNXBMFYSA-N 0 1 399.495 3.154 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)n[nH]1 ZINC000270757112 1434770886 /nfs/dbraw/zinc/77/08/86/1434770886.db2.gz PPYIVTZNMIPYMI-QWRGUYRKSA-N 0 1 385.390 3.430 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 ZINC000270758820 1434771400 /nfs/dbraw/zinc/77/14/00/1434771400.db2.gz PYRODAFVPXVOIX-STQMWFEESA-N 0 1 386.456 3.006 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)n[nH]1 ZINC000270763492 1434771746 /nfs/dbraw/zinc/77/17/46/1434771746.db2.gz PHUXRYFAVNRKOE-JTQLQIEISA-N 0 1 378.358 3.063 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1 ZINC000270762506 1434771789 /nfs/dbraw/zinc/77/17/89/1434771789.db2.gz PAIROZYFHVFEQR-NHYWBVRUSA-N 0 1 377.876 3.026 20 0 GGADMN CC(=O)N[C@H](CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(Cl)cc1 ZINC000270762503 1434771836 /nfs/dbraw/zinc/77/18/36/1434771836.db2.gz PAIROZYFHVFEQR-IAQYHMDHSA-N 0 1 377.876 3.026 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n[nH]1 ZINC000270765267 1434772125 /nfs/dbraw/zinc/77/21/25/1434772125.db2.gz PQVJFWQTOZBFIM-SNVBAGLBSA-N 0 1 375.379 3.110 20 0 GGADMN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270765883 1434772131 /nfs/dbraw/zinc/77/21/31/1434772131.db2.gz RAMMYZSQFDWJQN-CQSZACIVSA-N 0 1 384.484 3.355 20 0 GGADMN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270765882 1434772288 /nfs/dbraw/zinc/77/22/88/1434772288.db2.gz RAMMYZSQFDWJQN-AWEZNQCLSA-N 0 1 384.484 3.355 20 0 GGADMN CCc1nc([C@H](C)NC(=O)COc2ccc(C3SCCCS3)cc2)n[nH]1 ZINC000270766406 1434772636 /nfs/dbraw/zinc/77/26/36/1434772636.db2.gz PXLATENYBSKICI-LBPRGKRZSA-N 0 1 392.550 3.492 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)N(C)C)c1 ZINC000270770023 1434773060 /nfs/dbraw/zinc/77/30/60/1434773060.db2.gz 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Cc1n[nH]c(C(F)F)c1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000271250537 1434810986 /nfs/dbraw/zinc/81/09/86/1434810986.db2.gz HFLKADSGPUQSJE-UHFFFAOYSA-N 0 1 390.434 3.466 20 0 GGADMN COc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(Cl)n1 ZINC000271251169 1434810996 /nfs/dbraw/zinc/81/09/96/1434810996.db2.gz WYRHYEZMVUBIPI-NSHDSACASA-N 0 1 376.848 3.151 20 0 GGADMN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271253782 1434811180 /nfs/dbraw/zinc/81/11/80/1434811180.db2.gz HXOTUMKPIREWTH-UHFFFAOYSA-N 0 1 389.410 3.046 20 0 GGADMN COC(=O)c1sc(N(C)C2CCN(CCc3ccccn3)CC2)nc1Cl ZINC000271261332 1434811545 /nfs/dbraw/zinc/81/15/45/1434811545.db2.gz BCWQLTYWBYJBDP-UHFFFAOYSA-N 0 1 394.928 3.121 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000271303098 1434814532 /nfs/dbraw/zinc/81/45/32/1434814532.db2.gz SWIHYATWSSJXGK-UHFFFAOYSA-N 0 1 378.379 3.338 20 0 GGADMN COc1cc(CCC(=O)Nc2ccccc2-c2nnc[nH]2)cc(OC)c1OC ZINC000271319395 1434815815 /nfs/dbraw/zinc/81/58/15/1434815815.db2.gz APLWXXHZERGBGG-UHFFFAOYSA-N 0 1 382.420 3.069 20 0 GGADMN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2c(C)n[nH]c2C(F)F)CC1=O ZINC000271341479 1434817586 /nfs/dbraw/zinc/81/75/86/1434817586.db2.gz JULNZNKXRVEFFL-SECBINFHSA-N 0 1 398.797 3.309 20 0 GGADMN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCN(C2CCOCC2)CC1 ZINC000271343970 1434817684 /nfs/dbraw/zinc/81/76/84/1434817684.db2.gz GJJXNDLZXVKKKJ-UHFFFAOYSA-N 0 1 381.398 3.124 20 0 GGADMN Cc1cc2ncc([C@H](C)NCc3cc(F)ccc3N3CCOCC3)c(C)n2n1 ZINC000271354732 1434818634 /nfs/dbraw/zinc/81/86/34/1434818634.db2.gz DUCXBSXKBCWCPV-HNNXBMFYSA-N 0 1 383.471 3.173 20 0 GGADMN Cc1nnc([C@@H]2CCCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)C2)[nH]1 ZINC000271392986 1434821321 /nfs/dbraw/zinc/82/13/21/1434821321.db2.gz KDZLHQKZGYDGBP-SNVBAGLBSA-N 0 1 375.383 3.339 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)c3cc4ccc(C(F)(F)F)cc4[nH]3)CCO2)n[nH]1 ZINC000271396691 1434821577 /nfs/dbraw/zinc/82/15/77/1434821577.db2.gz MZUKZZMNWAIGSI-AWEZNQCLSA-N 0 1 393.369 3.081 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCO[C@H](C)C2)CC1 ZINC000271399613 1434822031 /nfs/dbraw/zinc/82/20/31/1434822031.db2.gz NKFAODFWBXEMKD-ZBFHGGJFSA-N 0 1 380.920 3.171 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000271455306 1434826218 /nfs/dbraw/zinc/82/62/18/1434826218.db2.gz GQLDLLQZBZVPDA-OXQOHEQNSA-N 0 1 386.517 3.245 20 0 GGADMN Cc1ocnc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271463153 1434826891 /nfs/dbraw/zinc/82/68/91/1434826891.db2.gz CBZSJNNCQYJMKK-GUYCJALGSA-N 0 1 380.851 3.268 20 0 GGADMN C[C@H](N[C@H](CO)c1cnn(C)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000271468310 1434827178 /nfs/dbraw/zinc/82/71/78/1434827178.db2.gz IETVTNKTSIVGJU-HRAATJIYSA-N 0 1 391.475 3.031 20 0 GGADMN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000271468331 1434827414 /nfs/dbraw/zinc/82/74/14/1434827414.db2.gz IETVTNKTSIVGJU-KKSFZXQISA-N 0 1 391.475 3.031 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271482391 1434828429 /nfs/dbraw/zinc/82/84/29/1434828429.db2.gz STPQWWQRJPGKHL-MNOVXSKESA-N 0 1 378.301 3.420 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271490212 1434829212 /nfs/dbraw/zinc/82/92/12/1434829212.db2.gz KFUSJQGHRLGZOJ-LBPRGKRZSA-N 0 1 385.480 3.392 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000271498632 1434829868 /nfs/dbraw/zinc/82/98/68/1434829868.db2.gz KFDABHMEVHJZNC-TZIWHRDSSA-N 0 1 389.540 3.116 20 0 GGADMN COc1ccc(C(=O)N2CCC(N[C@H](C)c3cscn3)CC2)cc1OC ZINC000271516670 1434831195 /nfs/dbraw/zinc/83/11/95/1434831195.db2.gz POEWKGWFSVGZJN-CYBMUJFWSA-N 0 1 375.494 3.116 20 0 GGADMN Cc1ccoc1C(=O)NCCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271520396 1434831536 /nfs/dbraw/zinc/83/15/36/1434831536.db2.gz QEZUZKVNILVRFT-MRXNPFEDSA-N 0 1 381.480 3.256 20 0 GGADMN CO[C@H](C)[C@@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000271530129 1434832398 /nfs/dbraw/zinc/83/23/98/1434832398.db2.gz RWNFDRQBCIQKDS-VPZZIHKRSA-N 0 1 383.460 3.471 20 0 GGADMN O=C(CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCc2ccccc2C1 ZINC000271542346 1434833449 /nfs/dbraw/zinc/83/34/49/1434833449.db2.gz ZFGWSPCEFKFEMU-UHFFFAOYSA-N 0 1 399.401 3.207 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000271550142 1434833986 /nfs/dbraw/zinc/83/39/86/1434833986.db2.gz UTKXRWHJRDPGDG-KSSFIOAISA-N 0 1 376.526 3.168 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2cc(F)ccc2N2CCOCC2)s1 ZINC000271574669 1434836199 /nfs/dbraw/zinc/83/61/99/1434836199.db2.gz QHYFNZIAUICVSN-CQSZACIVSA-N 0 1 393.528 3.467 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(C)CCc1cnccn1)c1ccccc1Cl ZINC000271579863 1434836524 /nfs/dbraw/zinc/83/65/24/1434836524.db2.gz QUWKEUOKFJAHRO-IBGZPJMESA-N 0 1 389.931 3.397 20 0 GGADMN CN(CCc1cnccn1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000271582044 1434836718 /nfs/dbraw/zinc/83/67/18/1434836718.db2.gz RBOJMSQMKQQDPZ-IBGZPJMESA-N 0 1 387.915 3.151 20 0 GGADMN Cc1cc2ncc([C@@H](C)NCc3ccnc(OC4CCOCC4)c3)c(C)n2n1 ZINC000271583433 1434836836 /nfs/dbraw/zinc/83/68/36/1434836836.db2.gz RTDHYPXWTPQGNG-OAHLLOKOSA-N 0 1 381.480 3.150 20 0 GGADMN O=C(C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)[N-]OCc1ccccc1 ZINC000271610808 1434839083 /nfs/dbraw/zinc/83/90/83/1434839083.db2.gz ZURNTQWSWYNBLC-UHFFFAOYSA-N 0 1 388.414 3.108 20 0 GGADMN CC[C@H](NCC(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000271614949 1434839221 /nfs/dbraw/zinc/83/92/21/1434839221.db2.gz AJWZBIASTGICHM-SFHVURJKSA-N 0 1 383.448 3.096 20 0 GGADMN COc1cc([C@H](C)[NH2+]Cc2cc(=O)oc3cc([O-])ccc23)cc(OC)c1OC ZINC000271622024 1434839632 /nfs/dbraw/zinc/83/96/32/1434839632.db2.gz AELIIEBFNDGNED-LBPRGKRZSA-N 0 1 385.416 3.375 20 0 GGADMN CC(C)(C)OC1CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000271630128 1434840347 /nfs/dbraw/zinc/84/03/47/1434840347.db2.gz JPQNDJOGCVJKBC-UHFFFAOYSA-N 0 1 394.422 3.245 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N[C@H](C)c2cccs2)cc(OC)c1OC ZINC000271634014 1434840482 /nfs/dbraw/zinc/84/04/82/1434840482.db2.gz BROLHQYPXPPJHF-QWHCGFSZSA-N 0 1 378.494 3.302 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000271632561 1434840498 /nfs/dbraw/zinc/84/04/98/1434840498.db2.gz DPTUGNNQNDOQJY-MRXNPFEDSA-N 0 1 386.492 3.207 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N([C@@H](C)C2CC2)C2CC2)cc(OC)c1OC ZINC000271637685 1434840880 /nfs/dbraw/zinc/84/08/80/1434840880.db2.gz CCSFYHRFEPRRNA-KBPBESRZSA-N 0 1 376.497 3.153 20 0 GGADMN Nc1nc(-n2cccn2)cc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000271638434 1434840928 /nfs/dbraw/zinc/84/09/28/1434840928.db2.gz PAFZAFQFHDCWRC-UHFFFAOYSA-N 0 1 395.854 3.423 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000271637631 1434840935 /nfs/dbraw/zinc/84/09/35/1434840935.db2.gz CCEJFBLHUXIOPO-CYBMUJFWSA-N 0 1 386.448 3.204 20 0 GGADMN CCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000271651731 1434841929 /nfs/dbraw/zinc/84/19/29/1434841929.db2.gz FJCCXGRBFGSSLM-CQSZACIVSA-N 0 1 383.448 3.111 20 0 GGADMN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000271655493 1434842262 /nfs/dbraw/zinc/84/22/62/1434842262.db2.gz NHJWTDJRFXHFBY-INMHGKMJSA-N 0 1 378.835 3.409 20 0 GGADMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000271657258 1434842500 /nfs/dbraw/zinc/84/25/00/1434842500.db2.gz GAYHKUFQUJTXDS-LSDHHAIUSA-N 0 1 399.491 3.190 20 0 GGADMN COC1(C)CCN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000271666416 1434842932 /nfs/dbraw/zinc/84/29/32/1434842932.db2.gz ZICFFSCLNFHJLZ-QZTJIDSGSA-N 0 1 389.540 3.006 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Cn2ccnc2)cc1 ZINC000271668361 1434842939 /nfs/dbraw/zinc/84/29/39/1434842939.db2.gz AIJYAPUDUUFASA-UHFFFAOYSA-N 0 1 390.487 3.140 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCC(C)(OC)CC2)N2CCCC2)c1 ZINC000271674078 1434843384 /nfs/dbraw/zinc/84/33/84/1434843384.db2.gz HBYNFTMFOPQAPY-LJQANCHMSA-N 0 1 375.513 3.043 20 0 GGADMN COc1cccc([C@@H](C)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000271684406 1434844024 /nfs/dbraw/zinc/84/40/24/1434844024.db2.gz PPAABSNFQXCTGF-QGZVFWFLSA-N 0 1 395.503 3.223 20 0 GGADMN C[C@H]1C[C@@H](CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000271685722 1434844115 /nfs/dbraw/zinc/84/41/15/1434844115.db2.gz RCZOQZOGWDUDDB-RDJZCZTQSA-N 0 1 379.932 3.419 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C(C)(C)c2ccccc2OC)c1 ZINC000271686955 1434844240 /nfs/dbraw/zinc/84/42/40/1434844240.db2.gz RICYXBMRNFVDJH-UHFFFAOYSA-N 0 1 377.462 3.111 20 0 GGADMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000271707981 1434845441 /nfs/dbraw/zinc/84/54/41/1434845441.db2.gz AAWBICRSKFGLBH-MWSMCUOVSA-N 0 1 390.505 3.119 20 0 GGADMN COc1cccc(C2(NCC(=O)NCCc3nc4ccccc4s3)CC2)c1 ZINC000271710270 1434845550 /nfs/dbraw/zinc/84/55/50/1434845550.db2.gz NNCTXDQMXMBBJU-UHFFFAOYSA-N 0 1 381.501 3.243 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271710820 1434845781 /nfs/dbraw/zinc/84/57/81/1434845781.db2.gz ASWOVBLEGCIJIS-RKOGDMNLSA-N 0 1 385.533 3.314 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n[nH]1 ZINC000271718009 1434845892 /nfs/dbraw/zinc/84/58/92/1434845892.db2.gz KWPNBVOIHSLWQI-TUKIKUTGSA-N 0 1 377.876 3.472 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC(C)(OC)CC2)N2CCCCC2)cc1 ZINC000271722011 1434846271 /nfs/dbraw/zinc/84/62/71/1434846271.db2.gz QGTQZEQVQXQYFE-FQEVSTJZSA-N 0 1 389.540 3.433 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(OC)cc3)ccc2NC1=O ZINC000271728965 1434846637 /nfs/dbraw/zinc/84/66/37/1434846637.db2.gz NBFPTLPZCKELEC-ACJLOTCBSA-N 0 1 383.448 3.094 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(OC)c3)ccc2NC1=O ZINC000271733566 1434846792 /nfs/dbraw/zinc/84/67/92/1434846792.db2.gz NVDWPFPCCXKLBG-ACJLOTCBSA-N 0 1 383.448 3.094 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC ZINC000271734505 1434846866 /nfs/dbraw/zinc/84/68/66/1434846866.db2.gz HHYITCUTIZXYHW-OAHLLOKOSA-N 0 1 399.491 3.003 20 0 GGADMN O=C(CN[C@H](CCO)c1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000271738157 1434847159 /nfs/dbraw/zinc/84/71/59/1434847159.db2.gz ICQZTXIDSLCLER-JOCHJYFZSA-N 0 1 389.499 3.497 20 0 GGADMN C[C@@H](N[C@@H](C)CS(C)(=O)=O)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271743788 1434847595 /nfs/dbraw/zinc/84/75/95/1434847595.db2.gz VZQVHQXCGLWFAE-LSDHHAIUSA-N 0 1 392.496 3.091 20 0 GGADMN COc1cc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc(OC)c1 ZINC000271746426 1434847757 /nfs/dbraw/zinc/84/77/57/1434847757.db2.gz JQTWTIWCJBMKIR-AWEZNQCLSA-N 0 1 388.464 3.319 20 0 GGADMN COc1cccc(C2(NCC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)c1 ZINC000271750678 1434847878 /nfs/dbraw/zinc/84/78/78/1434847878.db2.gz YLYAFZKLFVGNMM-UHFFFAOYSA-N 0 1 382.382 3.458 20 0 GGADMN COc1ccc(CN(C(=O)CN[C@@H](CCCO)c2ccccc2)C2CC2)cc1 ZINC000271753151 1434848047 /nfs/dbraw/zinc/84/80/47/1434848047.db2.gz GIZWLVRYRNOKMO-QFIPXVFZSA-N 0 1 382.504 3.290 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000271759357 1434848466 /nfs/dbraw/zinc/84/84/66/1434848466.db2.gz AYSYDHWFOAHQQP-SFHVURJKSA-N 0 1 388.556 3.057 20 0 GGADMN C[C@H](CCO)C1(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCC1 ZINC000271764548 1434848739 /nfs/dbraw/zinc/84/87/39/1434848739.db2.gz BRZGKKCZCHMEIL-QZTJIDSGSA-N 0 1 388.556 3.095 20 0 GGADMN COc1cc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1 ZINC000271764368 1434848759 /nfs/dbraw/zinc/84/87/59/1434848759.db2.gz MZOBLKQUBAMYFA-AWEZNQCLSA-N 0 1 397.475 3.342 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)c1ccc2c(c1)CC(=O)N2C ZINC000271766896 1434848955 /nfs/dbraw/zinc/84/89/55/1434848955.db2.gz CCMJUCHUIUJIBR-NSHDSACASA-N 0 1 375.831 3.287 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)c1ccc([S@@](C)=O)cc1 ZINC000271769787 1434849150 /nfs/dbraw/zinc/84/91/50/1434849150.db2.gz FDSOGQXUYKLSFU-YZCUQEPOSA-N 0 1 397.544 3.303 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000271771176 1434849268 /nfs/dbraw/zinc/84/92/68/1434849268.db2.gz FJFKLINMNRLWJV-ZVKXPRMCSA-N 0 1 386.517 3.103 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cc(C)ccc3OC)ccc2NC1=O ZINC000271773245 1434849550 /nfs/dbraw/zinc/84/95/50/1434849550.db2.gz XWYXVAKUFGGRNJ-KDOFPFPSSA-N 0 1 397.475 3.402 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000271781242 1434850043 /nfs/dbraw/zinc/85/00/43/1434850043.db2.gz GTOAITCDCVNBEG-CFAZGSRYSA-N 0 1 376.497 3.261 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000271782921 1434850227 /nfs/dbraw/zinc/85/02/27/1434850227.db2.gz PHNAKZTXBAZRCC-WDEREUQCSA-N 0 1 390.390 3.135 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000271784280 1434850248 /nfs/dbraw/zinc/85/02/48/1434850248.db2.gz GNWNGBGFPIMGFF-OAHLLOKOSA-N 0 1 397.544 3.237 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccc(N2CCOC2=O)cc1 ZINC000271785239 1434850387 /nfs/dbraw/zinc/85/03/87/1434850387.db2.gz IPVCFWLKSNWSPF-HNNXBMFYSA-N 0 1 379.460 3.421 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)CN[C@@H](COC)c2ccccc2)cc1OC ZINC000271791080 1434850820 /nfs/dbraw/zinc/85/08/20/1434850820.db2.gz KCQGKPKANDVKNI-APWZRJJASA-N 0 1 386.492 3.248 20 0 GGADMN CCOCCOCc1cccc(CN[C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000271794770 1434851016 /nfs/dbraw/zinc/85/10/16/1434851016.db2.gz JXPFXDXHPAZMDM-SFHVURJKSA-N 0 1 391.533 3.192 20 0 GGADMN COc1cccc(CNC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271802782 1434851473 /nfs/dbraw/zinc/85/14/73/1434851473.db2.gz MOMZOVUJHNSGBR-HOTGVXAUSA-N 0 1 397.475 3.007 20 0 GGADMN COc1cccc(CNC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271802788 1434851476 /nfs/dbraw/zinc/85/14/76/1434851476.db2.gz MOMZOVUJHNSGBR-JKSUJKDBSA-N 0 1 397.475 3.007 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000271803273 1434851712 /nfs/dbraw/zinc/85/17/12/1434851712.db2.gz SKNWOBOUYGCQLU-CQSZACIVSA-N 0 1 395.459 3.111 20 0 GGADMN COCCCOc1cccc(CN[C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000271805069 1434851919 /nfs/dbraw/zinc/85/19/19/1434851919.db2.gz MDOURFJTHPRNGO-KRWDZBQOSA-N 0 1 377.506 3.054 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1c(C)nn(C(C)(C)C)c1C ZINC000271806076 1434851964 /nfs/dbraw/zinc/85/19/64/1434851964.db2.gz KAEWYJZARFNHAZ-FQEVSTJZSA-N 0 1 381.524 3.183 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](CCO)c2ccccc2)cc1OC ZINC000271811215 1434852052 /nfs/dbraw/zinc/85/20/52/1434852052.db2.gz UICIOMFMUZLKGU-VQTJNVASSA-N 0 1 398.503 3.081 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271809360 1434852086 /nfs/dbraw/zinc/85/20/86/1434852086.db2.gz OAGFDIDYORMFCQ-HZPDHXFCSA-N 0 1 397.475 3.180 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCc2ccc(C)c(F)c2)cc(OC)c1OC ZINC000271813076 1434852283 /nfs/dbraw/zinc/85/22/83/1434852283.db2.gz UPCRENCXRSHWAX-AWEZNQCLSA-N 0 1 390.455 3.127 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000271816295 1434852420 /nfs/dbraw/zinc/85/24/20/1434852420.db2.gz PHWLYMXRQRPOMU-KBPBESRZSA-N 0 1 378.432 3.442 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)c(OC)c1 ZINC000271817912 1434852430 /nfs/dbraw/zinc/85/24/30/1434852430.db2.gz PLEUFWDULNVMEO-OAHLLOKOSA-N 0 1 397.475 3.120 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c(OC)c1 ZINC000271817911 1434852455 /nfs/dbraw/zinc/85/24/55/1434852455.db2.gz PLEUFWDULNVMEO-HNNXBMFYSA-N 0 1 397.475 3.120 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N(C2CC2)C2CCCC2)cc(OC)c1OC ZINC000271822124 1434852797 /nfs/dbraw/zinc/85/27/97/1434852797.db2.gz VVXUYSAQBJWXAV-AWEZNQCLSA-N 0 1 376.497 3.297 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000271822084 1434852861 /nfs/dbraw/zinc/85/28/61/1434852861.db2.gz VULCPLWCERUUHG-OAHLLOKOSA-N 0 1 399.491 3.003 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271824069 1434852870 /nfs/dbraw/zinc/85/28/70/1434852870.db2.gz QOALSCQPHQBBOS-OAHLLOKOSA-N 0 1 383.448 3.331 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc2c(c1)CC(=O)N2C ZINC000271822028 1434852880 /nfs/dbraw/zinc/85/28/80/1434852880.db2.gz NZLBAQBLADUMNK-LBPRGKRZSA-N 0 1 389.402 3.096 20 0 GGADMN CCN(C(=O)CN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1 ZINC000271829402 1434853264 /nfs/dbraw/zinc/85/32/64/1434853264.db2.gz WSMRGSUJBXKTHG-KRWDZBQOSA-N 0 1 395.503 3.048 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc([S@@](C)=O)cc1 ZINC000271827837 1434853267 /nfs/dbraw/zinc/85/32/67/1434853267.db2.gz QIMKITMVCXQNQU-GWQKEKGPSA-N 0 1 382.432 3.315 20 0 GGADMN COc1ccc(COC[C@H](O)CN[C@@H](C)c2c(F)cccc2F)cc1OC ZINC000271832806 1434853390 /nfs/dbraw/zinc/85/33/90/1434853390.db2.gz XIOTVLHOYTYXFN-DZGCQCFKSA-N 0 1 381.419 3.210 20 0 GGADMN C[C@H](NCC(=O)Nc1nc2ccccc2s1)c1ccc2c(c1)CC(=O)N2C ZINC000271831868 1434853406 /nfs/dbraw/zinc/85/34/06/1434853406.db2.gz PTXQPJTYHIDFNX-LBPRGKRZSA-N 0 1 380.473 3.105 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000271834393 1434853596 /nfs/dbraw/zinc/85/35/96/1434853596.db2.gz XJOHCSRZOVQRJX-AWEZNQCLSA-N 0 1 385.464 3.260 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnn(C)c2-c2ccccc2)CC1 ZINC000271833878 1434853677 /nfs/dbraw/zinc/85/36/77/1434853677.db2.gz XTNQAOLMXLUBEJ-QGZVFWFLSA-N 0 1 389.503 3.438 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N(C)Cc2ccccc2C)cc(OC)c1OC ZINC000271837838 1434853938 /nfs/dbraw/zinc/85/39/38/1434853938.db2.gz YBBLYTVGCFIZMX-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC ZINC000271842686 1434854152 /nfs/dbraw/zinc/85/41/52/1434854152.db2.gz YRWLHWQGKCRMDN-AWEZNQCLSA-N 0 1 385.464 3.260 20 0 GGADMN COc1coc(CN[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1=O ZINC000271846171 1434854501 /nfs/dbraw/zinc/85/45/01/1434854501.db2.gz ZCJQUPIMDBSMNB-OAHLLOKOSA-N 0 1 396.443 3.482 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)c(OC)c1 ZINC000271847642 1434854514 /nfs/dbraw/zinc/85/45/14/1434854514.db2.gz ZHHKWJIGVJADAL-AWEZNQCLSA-N 0 1 388.464 3.319 20 0 GGADMN C[C@@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271849103 1434854666 /nfs/dbraw/zinc/85/46/66/1434854666.db2.gz RDAXOYZJNLRWHB-MRXNPFEDSA-N 0 1 377.488 3.047 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000271853999 1434854948 /nfs/dbraw/zinc/85/49/48/1434854948.db2.gz XDYBGBPJXHFBOW-LSDHHAIUSA-N 0 1 383.448 3.330 20 0 GGADMN CC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000271852581 1434854956 /nfs/dbraw/zinc/85/49/56/1434854956.db2.gz XAEXPQMFBQOJCI-CQSZACIVSA-N 0 1 381.432 3.135 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000271859383 1434855414 /nfs/dbraw/zinc/85/54/14/1434855414.db2.gz YJTKRHVHFVPGOE-IVAFGUPBSA-N 0 1 390.505 3.119 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2occc2C(=O)OC)CC1 ZINC000271861550 1434855570 /nfs/dbraw/zinc/85/55/70/1434855570.db2.gz YZQXUVYHSODLSS-OAHLLOKOSA-N 0 1 389.471 3.198 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271875476 1434856298 /nfs/dbraw/zinc/85/62/98/1434856298.db2.gz XOHJIWMAZSNBHO-ZIAGYGMSSA-N 0 1 379.460 3.086 20 0 GGADMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271876343 1434856475 /nfs/dbraw/zinc/85/64/75/1434856475.db2.gz XSUSZIVFRQZUBW-GJZGRUSLSA-N 0 1 383.467 3.215 20 0 GGADMN CO[C@H](C)c1nc(CN2CCCN(Cc3cccc4nccn43)CC2)cs1 ZINC000271888981 1434857368 /nfs/dbraw/zinc/85/73/68/1434857368.db2.gz WUAWSXKAKBNHRQ-MRXNPFEDSA-N 0 1 385.537 3.206 20 0 GGADMN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1ccc(OC)cc1 ZINC000271911203 1434858741 /nfs/dbraw/zinc/85/87/41/1434858741.db2.gz MLMKZPLGCKWDSD-MRXNPFEDSA-N 0 1 377.462 3.327 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000271927483 1434859880 /nfs/dbraw/zinc/85/98/80/1434859880.db2.gz SUQYXELQLAZYEZ-NZVBXONLSA-N 0 1 379.411 3.097 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000271927476 1434859902 /nfs/dbraw/zinc/85/99/02/1434859902.db2.gz SUQYXELQLAZYEZ-COLVAYQJSA-N 0 1 379.411 3.097 20 0 GGADMN CC(C)NC(=O)Nc1ccc([C@H](C)NCC(=O)NCCc2ccccc2)cc1 ZINC000271941756 1434860701 /nfs/dbraw/zinc/86/07/01/1434860701.db2.gz BSFBSYCLXJNBAH-KRWDZBQOSA-N 0 1 382.508 3.226 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@@H]1CCCOc2c(Cl)cccc21)C(F)(F)F ZINC000272010931 1434865670 /nfs/dbraw/zinc/86/56/70/1434865670.db2.gz BTHMRUWDOCCHSL-CZUORRHYSA-N 0 1 389.805 3.327 20 0 GGADMN COc1cc([C@@H](C)NC[C@](O)(c2nccn2C)C(F)(F)F)ccc1SC ZINC000272021770 1434866717 /nfs/dbraw/zinc/86/67/17/1434866717.db2.gz DAOGFJCJTUIUIX-BZNIZROVSA-N 0 1 389.443 3.251 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)CC2)n[nH]1 ZINC000272036249 1434867791 /nfs/dbraw/zinc/86/77/91/1434867791.db2.gz BTYYACYXQYJKLM-HSZRJFAPSA-N 0 1 394.519 3.367 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCCCO3)c2C1 ZINC000272045339 1434868479 /nfs/dbraw/zinc/86/84/79/1434868479.db2.gz QWFMAAPHXIQBGM-TWOQFEAHSA-N 0 1 387.524 3.059 20 0 GGADMN Cc1cc(C2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCO4)CC2)n[nH]1 ZINC000272061980 1434869615 /nfs/dbraw/zinc/86/96/15/1434869615.db2.gz GOOMMBQQOKNELV-UHFFFAOYSA-N 0 1 375.856 3.091 20 0 GGADMN COC(=O)c1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272069205 1434870034 /nfs/dbraw/zinc/87/00/34/1434870034.db2.gz BTROEHAOZMQRNK-HNNXBMFYSA-N 0 1 397.479 3.054 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)o1 ZINC000272070761 1434870187 /nfs/dbraw/zinc/87/01/87/1434870187.db2.gz CAXYCAVYDBSEDS-CQSZACIVSA-N 0 1 386.452 3.252 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(OC)c1 ZINC000272076277 1434870513 /nfs/dbraw/zinc/87/05/13/1434870513.db2.gz VMQMPIUANHSIGR-JOCHJYFZSA-N 0 1 398.459 3.154 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272080054 1434870856 /nfs/dbraw/zinc/87/08/56/1434870856.db2.gz JGLHWGNQXVOUKW-OAQYLSRUSA-N 0 1 378.476 3.388 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)n[nH]1 ZINC000272085697 1434871101 /nfs/dbraw/zinc/87/11/01/1434871101.db2.gz KGODMXVVJMVFCA-FQEVSTJZSA-N 0 1 382.508 3.187 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCCc3nc4ccccc4c(=O)[nH]3)CC2)n[nH]1 ZINC000272103405 1434872241 /nfs/dbraw/zinc/87/22/41/1434872241.db2.gz NFZWVMSGEGLUHR-UHFFFAOYSA-N 0 1 379.464 3.096 20 0 GGADMN Cc1ccc(F)cc1CNCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000272110260 1434872731 /nfs/dbraw/zinc/87/27/31/1434872731.db2.gz JBBYCZOBBXRJNW-FQEVSTJZSA-N 0 1 386.467 3.098 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000272120045 1434873416 /nfs/dbraw/zinc/87/34/16/1434873416.db2.gz QCXWQCWEPCBFNF-YGRLFVJLSA-N 0 1 397.319 3.419 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)n[nH]1 ZINC000272120386 1434873551 /nfs/dbraw/zinc/87/35/51/1434873551.db2.gz QGUXGSSKVCBSME-GOSISDBHSA-N 0 1 398.482 3.116 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000272122733 1434873651 /nfs/dbraw/zinc/87/36/51/1434873651.db2.gz QRDKEIIFILRLAA-UHFFFAOYSA-N 0 1 380.492 3.320 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)n[nH]2)cc1OC ZINC000272132959 1434873938 /nfs/dbraw/zinc/87/39/38/1434873938.db2.gz BYZGSPNDOVXCNI-YOEHRIQHSA-N 0 1 383.448 3.068 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)n[nH]2)cc1OC ZINC000272132951 1434874008 /nfs/dbraw/zinc/87/40/08/1434874008.db2.gz BYZGSPNDOVXCNI-RHSMWYFYSA-N 0 1 383.448 3.068 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000272140430 1434874285 /nfs/dbraw/zinc/87/42/85/1434874285.db2.gz UNHYYYLGYULEAL-MRXNPFEDSA-N 0 1 384.407 3.225 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)n[nH]1 ZINC000272179082 1434876216 /nfs/dbraw/zinc/87/62/16/1434876216.db2.gz ZVZPKXSXIYYPCF-UHFFFAOYSA-N 0 1 375.476 3.412 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000272187485 1434876893 /nfs/dbraw/zinc/87/68/93/1434876893.db2.gz KGJZDXHULCLENG-NSHDSACASA-N 0 1 392.385 3.385 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000272209699 1434878409 /nfs/dbraw/zinc/87/84/09/1434878409.db2.gz ABVLGRSVEMGLTQ-ZIAGYGMSSA-N 0 1 385.464 3.316 20 0 GGADMN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272219369 1434878942 /nfs/dbraw/zinc/87/89/42/1434878942.db2.gz KGCHQHIAROXSMV-NVXWUHKLSA-N 0 1 383.496 3.421 20 0 GGADMN COC(=O)[C@@H](c1cccnc1)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272225547 1434879546 /nfs/dbraw/zinc/87/95/46/1434879546.db2.gz LDKQGTSQEBTYTG-ZWKOTPCHSA-N 0 1 383.496 3.341 20 0 GGADMN COC(=O)[C@@H](c1cccnc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272225547 1434879548 /nfs/dbraw/zinc/87/95/48/1434879548.db2.gz LDKQGTSQEBTYTG-ZWKOTPCHSA-N 0 1 383.496 3.341 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)[C@@H]3c4ccccc4CCN3C2=O)CC1 ZINC000272239676 1434880722 /nfs/dbraw/zinc/88/07/22/1434880722.db2.gz VBRHLCUBLBIUKF-KKSFZXQISA-N 0 1 390.487 3.169 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)[C@H]3c4ccccc4CCN3C2=O)CC1 ZINC000272239664 1434880764 /nfs/dbraw/zinc/88/07/64/1434880764.db2.gz VBRHLCUBLBIUKF-HRAATJIYSA-N 0 1 390.487 3.169 20 0 GGADMN CCn1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1=O ZINC000272254613 1434881956 /nfs/dbraw/zinc/88/19/56/1434881956.db2.gz PNMKVXWCYCYWOE-INIZCTEOSA-N 0 1 398.511 3.446 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)[C@H]2C1 ZINC000272262605 1434882413 /nfs/dbraw/zinc/88/24/13/1434882413.db2.gz ASKCSPLSGNGLQE-XLIONFOSSA-N 0 1 387.487 3.101 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)n[nH]1 ZINC000272267175 1434882770 /nfs/dbraw/zinc/88/27/70/1434882770.db2.gz RGNDKXRQJORKOA-SFHVURJKSA-N 0 1 395.507 3.368 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)n[nH]1 ZINC000272267172 1434882780 /nfs/dbraw/zinc/88/27/80/1434882780.db2.gz RGNDKXRQJORKOA-GOSISDBHSA-N 0 1 395.507 3.368 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000272282534 1434884102 /nfs/dbraw/zinc/88/41/02/1434884102.db2.gz BVTBYGULOKONKY-LLVKDONJSA-N 0 1 388.415 3.010 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2sccc2CN(C)C)C1 ZINC000272297594 1434885110 /nfs/dbraw/zinc/88/51/10/1434885110.db2.gz PDUXTGJXPKACEY-ZIAGYGMSSA-N 0 1 381.542 3.185 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000272313129 1434886639 /nfs/dbraw/zinc/88/66/39/1434886639.db2.gz ZOUJKNTTYVGNNH-MRXNPFEDSA-N 0 1 381.432 3.477 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NC2CCC(O)CC2)c2ccc(F)c(F)c2)c1 ZINC000272324561 1434887354 /nfs/dbraw/zinc/88/73/54/1434887354.db2.gz VAYLAKOXYVWPKO-ALLBUHFWSA-N 0 1 395.471 3.351 20 0 GGADMN COC1(C)CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000272333303 1434887965 /nfs/dbraw/zinc/88/79/65/1434887965.db2.gz FMVPZOZGNUGCCI-UHFFFAOYSA-N 0 1 382.932 3.052 20 0 GGADMN O=C1[C@H]2CCCCN2C(=O)N1[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272356405 1434890006 /nfs/dbraw/zinc/89/00/06/1434890006.db2.gz GEDQCZVSKPFAKR-HZPDHXFCSA-N 0 1 381.398 3.096 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000272370699 1434890957 /nfs/dbraw/zinc/89/09/57/1434890957.db2.gz XGZSZFUTSNQWQL-LJQANCHMSA-N 0 1 389.459 3.254 20 0 GGADMN CC1(C)[C@H](O)C[C@@H]1N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272372781 1434891149 /nfs/dbraw/zinc/89/11/49/1434891149.db2.gz SDYIXAHUJSXMBS-IPMKNSEASA-N 0 1 377.481 3.068 20 0 GGADMN COc1cc(NC(=O)N[C@@H](C)c2nnc[nH]2)ccc1NC(=O)OC(C)(C)C ZINC000272417343 1434894862 /nfs/dbraw/zinc/89/48/62/1434894862.db2.gz LKXYHVRPWGTKKC-JTQLQIEISA-N 0 1 376.417 3.043 20 0 GGADMN COc1cc(NC(=O)N[C@H](C)c2nnc[nH]2)ccc1NC(=O)OC(C)(C)C ZINC000272417353 1434894900 /nfs/dbraw/zinc/89/49/00/1434894900.db2.gz LKXYHVRPWGTKKC-SNVBAGLBSA-N 0 1 376.417 3.043 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NC[C@@H]2CCCCO2)c2ccc(F)cc2)c1 ZINC000272419266 1434895069 /nfs/dbraw/zinc/89/50/69/1434895069.db2.gz LPRNDSDNMDQIGK-ICSRJNTNSA-N 0 1 377.481 3.477 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000272437785 1434896106 /nfs/dbraw/zinc/89/61/06/1434896106.db2.gz IGJMCCXVVKOKKR-HOTGVXAUSA-N 0 1 393.503 3.019 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000272446550 1434896958 /nfs/dbraw/zinc/89/69/58/1434896958.db2.gz JFWGXOXLFZSWPS-DOTOQJQBSA-N 0 1 393.503 3.019 20 0 GGADMN CS[C@H](CO)[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272497927 1434900903 /nfs/dbraw/zinc/90/09/03/1434900903.db2.gz VIYRQDRFHWLUDZ-ZNOIYHFQSA-N 0 1 397.537 3.021 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000272500759 1434901151 /nfs/dbraw/zinc/90/11/51/1434901151.db2.gz NWPIJBGAYBDSEB-OFQRWUPVSA-N 0 1 387.484 3.428 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000272508520 1434902110 /nfs/dbraw/zinc/90/21/10/1434902110.db2.gz OOQZYRRXEMMLRY-ILXRZTDVSA-N 0 1 381.542 3.160 20 0 GGADMN CCC[C@](C)(O)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272520567 1434903667 /nfs/dbraw/zinc/90/36/67/1434903667.db2.gz YDRINTZKMMDOFA-UXHICEINSA-N 0 1 379.497 3.459 20 0 GGADMN CCCOc1ccccc1Oc1ncccc1CNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000272525005 1434904013 /nfs/dbraw/zinc/90/40/13/1434904013.db2.gz ZYHJLYMJCZFRLT-CQSZACIVSA-N 0 1 396.451 3.341 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524609 1434904021 /nfs/dbraw/zinc/90/40/21/1434904021.db2.gz QHUDORAGLKSEHX-UONOGXRCSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524609 1434904023 /nfs/dbraw/zinc/90/40/23/1434904023.db2.gz QHUDORAGLKSEHX-UONOGXRCSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CC[C@H]([C@H](C)O)C1 ZINC000272525771 1434904393 /nfs/dbraw/zinc/90/43/93/1434904393.db2.gz HXXICJXXHMARJL-RYRKJORJSA-N 0 1 385.533 3.404 20 0 GGADMN C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272537072 1434905265 /nfs/dbraw/zinc/90/52/65/1434905265.db2.gz RKDHEFCGBWZFQZ-UXLLHSPISA-N 0 1 393.503 3.066 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000272537085 1434905310 /nfs/dbraw/zinc/90/53/10/1434905310.db2.gz RKDHEFCGBWZFQZ-ZOBUZTSGSA-N 0 1 393.503 3.066 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)[C@@H]2C1 ZINC000272550139 1434906949 /nfs/dbraw/zinc/90/69/49/1434906949.db2.gz CYBQBNSMHVSIBI-NVXWUHKLSA-N 0 1 393.516 3.162 20 0 GGADMN COCC[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C)o1 ZINC000272552179 1434907072 /nfs/dbraw/zinc/90/70/72/1434907072.db2.gz FIIMKTZVDWJYIU-HOTGVXAUSA-N 0 1 387.484 3.250 20 0 GGADMN C[C@]1(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCCOC1 ZINC000272578558 1434910099 /nfs/dbraw/zinc/91/00/99/1434910099.db2.gz AJLNXPTYOWLRTD-QHCPKHFHSA-N 0 1 394.519 3.159 20 0 GGADMN C[C@H](CC[S@@](C)=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588841 1434911568 /nfs/dbraw/zinc/91/15/68/1434911568.db2.gz HONXVPNWWLMFLM-IKSRFOEDSA-N 0 1 397.537 3.065 20 0 GGADMN C[C@H](CC[S@](C)=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588835 1434911602 /nfs/dbraw/zinc/91/16/02/1434911602.db2.gz HONXVPNWWLMFLM-GXXNXVLISA-N 0 1 397.537 3.065 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272591161 1434911906 /nfs/dbraw/zinc/91/19/06/1434911906.db2.gz PLDXVENQJPAQMJ-FUHWJXTLSA-N 0 1 381.476 3.373 20 0 GGADMN CN(C)C(=O)c1ccc(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)[nH]1 ZINC000272600206 1434913469 /nfs/dbraw/zinc/91/34/69/1434913469.db2.gz HBGATRNGGBPUDC-UHFFFAOYSA-N 0 1 392.544 3.186 20 0 GGADMN CS(=O)(=O)CCOCCN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000272607971 1434914223 /nfs/dbraw/zinc/91/42/23/1434914223.db2.gz KAILQYLZBSIDSR-SFHVURJKSA-N 0 1 399.459 3.028 20 0 GGADMN CS(=O)(=O)CCOCCN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000272607969 1434914455 /nfs/dbraw/zinc/91/44/55/1434914455.db2.gz KAILQYLZBSIDSR-GOSISDBHSA-N 0 1 399.459 3.028 20 0 GGADMN COC[C@H](CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)OC ZINC000272615765 1434915325 /nfs/dbraw/zinc/91/53/25/1434915325.db2.gz ILICLMNEBJCZRM-LPHOPBHVSA-N 0 1 392.883 3.279 20 0 GGADMN COCC[C@@H](NCc1c(C)nn(CC(=O)OC(C)C)c1C)c1ccc(C)o1 ZINC000272616685 1434915812 /nfs/dbraw/zinc/91/58/12/1434915812.db2.gz LHTNVNAZYFIALR-GOSISDBHSA-N 0 1 377.485 3.220 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272620279 1434916003 /nfs/dbraw/zinc/91/60/03/1434916003.db2.gz LRWJPAOWNCRVJF-YOEHRIQHSA-N 0 1 389.496 3.336 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272626917 1434916907 /nfs/dbraw/zinc/91/69/07/1434916907.db2.gz VUKHMRYORWJVAY-ZDUSSCGKSA-N 0 1 382.390 3.049 20 0 GGADMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000272646658 1434919297 /nfs/dbraw/zinc/91/92/97/1434919297.db2.gz DMXMQVCURSQYGQ-ZDUSSCGKSA-N 0 1 382.482 3.180 20 0 GGADMN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000272668880 1434921129 /nfs/dbraw/zinc/92/11/29/1434921129.db2.gz JVJMJBWVEVZANB-SFHVURJKSA-N 0 1 396.443 3.237 20 0 GGADMN CC(C)Oc1cc(F)ccc1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000272693356 1434923283 /nfs/dbraw/zinc/92/32/83/1434923283.db2.gz XKLAFXWZEIOHHW-UHFFFAOYSA-N 0 1 379.476 3.189 20 0 GGADMN O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272693749 1434923578 /nfs/dbraw/zinc/92/35/78/1434923578.db2.gz WNKMSZCVIQJLSU-OAHLLOKOSA-N 0 1 396.470 3.434 20 0 GGADMN O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272693744 1434923599 /nfs/dbraw/zinc/92/35/99/1434923599.db2.gz WNKMSZCVIQJLSU-HNNXBMFYSA-N 0 1 396.470 3.434 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000272713042 1434925208 /nfs/dbraw/zinc/92/52/08/1434925208.db2.gz HXGPWNCQKCPTAS-UHFFFAOYSA-N 0 1 376.285 3.043 20 0 GGADMN CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000272736211 1434926943 /nfs/dbraw/zinc/92/69/43/1434926943.db2.gz MDDQYMVCHPDRPX-JENIJYKNSA-N 0 1 391.531 3.350 20 0 GGADMN C[C@](O)(CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1 ZINC000272746701 1434927720 /nfs/dbraw/zinc/92/77/20/1434927720.db2.gz JCRATYSKGOLCNF-QHCPKHFHSA-N 0 1 390.487 3.476 20 0 GGADMN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272755820 1434928473 /nfs/dbraw/zinc/92/84/73/1434928473.db2.gz OWVZQEVIYFGHSP-ZDUSSCGKSA-N 0 1 386.521 3.359 20 0 GGADMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272760468 1434928763 /nfs/dbraw/zinc/92/87/63/1434928763.db2.gz FVNMQXQAWOZPSF-OAHLLOKOSA-N 0 1 391.519 3.199 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1=CC[N@@H+](C)CC1 ZINC000272764152 1434929320 /nfs/dbraw/zinc/92/93/20/1434929320.db2.gz PGZMDJKMPGLAIR-OAHLLOKOSA-N 0 1 384.455 3.463 20 0 GGADMN CCCCCc1nnc(NC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000272767781 1434929532 /nfs/dbraw/zinc/92/95/32/1434929532.db2.gz ALWPMCOUUICLKB-ZBSNKRKSSA-N 0 1 394.566 3.298 20 0 GGADMN CCCCCc1nnc(NC(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000272767775 1434929557 /nfs/dbraw/zinc/92/95/57/1434929557.db2.gz ALWPMCOUUICLKB-SRGMZFCMSA-N 0 1 394.566 3.298 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000272830921 1434934459 /nfs/dbraw/zinc/93/44/59/1434934459.db2.gz OMMFEVWIPWWIMR-CYBMUJFWSA-N 0 1 381.457 3.165 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CC[C@H](COc2ccccc2)C1 ZINC000272830926 1434934473 /nfs/dbraw/zinc/93/44/73/1434934473.db2.gz OMMFEVWIPWWIMR-ZDUSSCGKSA-N 0 1 381.457 3.165 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000272883457 1434938457 /nfs/dbraw/zinc/93/84/57/1434938457.db2.gz CROWXKQLCATAIX-WZQKQDCOSA-N 0 1 390.574 3.455 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000272883454 1434938489 /nfs/dbraw/zinc/93/84/89/1434938489.db2.gz CROWXKQLCATAIX-QWXGXRTQSA-N 0 1 390.574 3.455 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1ccsc1 ZINC000272882258 1434938499 /nfs/dbraw/zinc/93/84/99/1434938499.db2.gz CQUAXRAGDLTBQK-SFHVURJKSA-N 0 1 383.521 3.251 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1cnccc1C ZINC000272900003 1434939814 /nfs/dbraw/zinc/93/98/14/1434939814.db2.gz ACMBLESFUDVUFQ-VMPITWQZSA-N 0 1 380.492 3.192 20 0 GGADMN C[C@@H](NCC(=O)N(C)CCCOc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000272906834 1434940199 /nfs/dbraw/zinc/94/01/99/1434940199.db2.gz GZKYLDRTNIGWNY-CRYYWNKWSA-N 0 1 388.533 3.002 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(C3CCCCC3)c2C)c1 ZINC000272912852 1434940568 /nfs/dbraw/zinc/94/05/68/1434940568.db2.gz MMYHYGGFQIHVAN-UHFFFAOYSA-N 0 1 391.493 3.448 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(OC2CCCC2)nc1 ZINC000272912210 1434940620 /nfs/dbraw/zinc/94/06/20/1434940620.db2.gz RKVWNJXEIMLZKX-UHFFFAOYSA-N 0 1 380.492 3.192 20 0 GGADMN CCCOc1ccc(CNC(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000272917420 1434941096 /nfs/dbraw/zinc/94/10/96/1434941096.db2.gz IKHJZSXOJXHSMD-RKOGDMNLSA-N 0 1 388.533 3.180 20 0 GGADMN Cc1sc2ncn(NC(=O)c3cnn(C4CCCCC4)c3C)c(=O)c2c1C ZINC000272931655 1434942067 /nfs/dbraw/zinc/94/20/67/1434942067.db2.gz PZDBVVDZHYODOR-UHFFFAOYSA-N 0 1 385.493 3.469 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272940662 1434942587 /nfs/dbraw/zinc/94/25/87/1434942587.db2.gz KZURYKVQGGLSNQ-ZBSNKRKSSA-N 0 1 394.924 3.053 20 0 GGADMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@H]2CCc3c2cccc3O)C1 ZINC000272941260 1434942604 /nfs/dbraw/zinc/94/26/04/1434942604.db2.gz MLEYGTDWBSAAEU-KRWDZBQOSA-N 0 1 375.465 3.021 20 0 GGADMN CCCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000272951638 1434943737 /nfs/dbraw/zinc/94/37/37/1434943737.db2.gz MNWGWUVGWLNEOX-OQRWROFFSA-N 0 1 388.533 3.180 20 0 GGADMN CC(=O)c1ccc(S(C)(=O)=O)c(N2CCC[C@H](CN3CCC(C)CC3)C2)c1 ZINC000272955776 1434943876 /nfs/dbraw/zinc/94/38/76/1434943876.db2.gz YQLQOUZUQFDUNF-GOSISDBHSA-N 0 1 392.565 3.241 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3cc4c(cc3C)OCO4)CC2)cc1 ZINC000272974980 1434945591 /nfs/dbraw/zinc/94/55/91/1434945591.db2.gz XMFQKIHNMJBHOR-UHFFFAOYSA-N 0 1 397.475 3.472 20 0 GGADMN CC(C)Cn1cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cn1 ZINC000272992840 1434947835 /nfs/dbraw/zinc/94/78/35/1434947835.db2.gz NIGARJCULRIUEX-UHFFFAOYSA-N 0 1 378.480 3.344 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273034407 1434952986 /nfs/dbraw/zinc/95/29/86/1434952986.db2.gz GCVANFHWYIEAJJ-QWHCGFSZSA-N 0 1 382.390 3.049 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc([S@@](C)=O)cc1 ZINC000273032780 1434953008 /nfs/dbraw/zinc/95/30/08/1434953008.db2.gz UUXFWCSLBMFWEJ-DQQVXTMASA-N 0 1 396.415 3.035 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC(CCCO)CC1)N1CCCC1 ZINC000273045832 1434954528 /nfs/dbraw/zinc/95/45/28/1434954528.db2.gz ISAOODNRPWSGPO-FQEVSTJZSA-N 0 1 389.540 3.026 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCC(CCCO)CC2)N2CCCC2)c1 ZINC000273076715 1434957974 /nfs/dbraw/zinc/95/79/74/1434957974.db2.gz OLFJUXVWBVKKHO-OAQYLSRUSA-N 0 1 389.540 3.026 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC(CCCO)CC1 ZINC000273077802 1434958274 /nfs/dbraw/zinc/95/82/74/1434958274.db2.gz OQORGEAWHVPZEY-UHFFFAOYSA-N 0 1 393.959 3.499 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)C[C@H](C)c3nccs3)n[nH]2)cc1OC ZINC000273100362 1434960926 /nfs/dbraw/zinc/96/09/26/1434960926.db2.gz KUHMRHMXQIZWRZ-LBPRGKRZSA-N 0 1 386.477 3.426 20 0 GGADMN CC(C)(C)OC(=O)c1cccc(CN[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273111813 1434962567 /nfs/dbraw/zinc/96/25/67/1434962567.db2.gz XSOWSISAKQBRGX-HXUWFJFHSA-N 0 1 395.503 3.318 20 0 GGADMN O=C(NCCCn1cccn1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273152325 1434967038 /nfs/dbraw/zinc/96/70/38/1434967038.db2.gz IBSKTDGTUPZDIN-KRWDZBQOSA-N 0 1 385.516 3.028 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N3CCCN(C(=O)c4ccsc4)CC3)c(=O)c2c1 ZINC000273157855 1434967586 /nfs/dbraw/zinc/96/75/86/1434967586.db2.gz BBTAUMFBZKXUMI-UHFFFAOYSA-N 0 1 395.484 3.299 20 0 GGADMN CCc1ccc([C@H](CN2CCOCC2)NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000273160445 1434967755 /nfs/dbraw/zinc/96/77/55/1434967755.db2.gz KGNDWFZLJBKEFQ-QHCPKHFHSA-N 0 1 395.547 3.114 20 0 GGADMN C[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000273172721 1434968900 /nfs/dbraw/zinc/96/89/00/1434968900.db2.gz CFSXVORJHRHHHD-GCJKJVERSA-N 0 1 389.503 3.168 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccccc2-c2nnnn2C(C)C)n[nH]1 ZINC000273183931 1434970002 /nfs/dbraw/zinc/97/00/02/1434970002.db2.gz NZGQJWNPEWXLGO-GFCCVEGCSA-N 0 1 383.460 3.045 20 0 GGADMN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273206753 1434972520 /nfs/dbraw/zinc/97/25/20/1434972520.db2.gz RKKLSSKGKAPJQA-WBVHZDCISA-N 0 1 385.516 3.027 20 0 GGADMN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000273219772 1434973143 /nfs/dbraw/zinc/97/31/43/1434973143.db2.gz VFUKOMBCFUAYGS-INIZCTEOSA-N 0 1 384.476 3.229 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000273234462 1434974177 /nfs/dbraw/zinc/97/41/77/1434974177.db2.gz VNQDBIHBNNYYND-ZDUSSCGKSA-N 0 1 378.480 3.321 20 0 GGADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000273252024 1434975868 /nfs/dbraw/zinc/97/58/68/1434975868.db2.gz HIGXRYDOTGUSLH-YJBOKZPZSA-N 0 1 394.431 3.229 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1cnn(C)c1 ZINC000273255407 1434975973 /nfs/dbraw/zinc/97/59/73/1434975973.db2.gz CQTWDEDRHHKCNQ-HNNXBMFYSA-N 0 1 380.496 3.193 20 0 GGADMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000273259842 1434976136 /nfs/dbraw/zinc/97/61/36/1434976136.db2.gz STKMXGXRXYCHKW-OCCSQVGLSA-N 0 1 396.413 3.009 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N3CCC(CN4CCCCC4=O)CC3)c(=O)c2c1 ZINC000273273073 1434977272 /nfs/dbraw/zinc/97/72/72/1434977272.db2.gz VJBAKQOBMRAOKA-UHFFFAOYSA-N 0 1 381.476 3.114 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000273292256 1434978639 /nfs/dbraw/zinc/97/86/39/1434978639.db2.gz ZPGLBQOGSGSZIQ-IEBWSBKVSA-N 0 1 389.540 3.371 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000273292248 1434978655 /nfs/dbraw/zinc/97/86/55/1434978655.db2.gz ZPGLBQOGSGSZIQ-HKUYNNGSSA-N 0 1 389.540 3.371 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)NCc1ccc(N2CCOC2=O)cc1 ZINC000273313876 1434980034 /nfs/dbraw/zinc/98/00/34/1434980034.db2.gz XNCXADFZFJVALH-HNNXBMFYSA-N 0 1 384.432 3.046 20 0 GGADMN Cc1cccc([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4C)C3=O)C2)c1 ZINC000273373949 1434984146 /nfs/dbraw/zinc/98/41/46/1434984146.db2.gz WBZOCXFVGAOESM-QUCCMNQESA-N 0 1 392.455 3.123 20 0 GGADMN CCn1cc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(=O)c2cc(Cl)ccc21 ZINC000273376874 1434984340 /nfs/dbraw/zinc/98/43/40/1434984340.db2.gz HUANUCRXPZQCIH-NSHDSACASA-N 0 1 387.871 3.407 20 0 GGADMN CCn1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(=O)c2cc(Cl)ccc21 ZINC000273376869 1434984352 /nfs/dbraw/zinc/98/43/52/1434984352.db2.gz HUANUCRXPZQCIH-LLVKDONJSA-N 0 1 387.871 3.407 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)[C@@H]1CCCCS1(=O)=O ZINC000273427394 1434988261 /nfs/dbraw/zinc/98/82/61/1434988261.db2.gz YQTPXOPZLQFXNC-KRWDZBQOSA-N 0 1 387.436 3.275 20 0 GGADMN CC(=O)[C@@H]1C[C@H](CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1(C)C ZINC000273447214 1434989408 /nfs/dbraw/zinc/98/94/08/1434989408.db2.gz CALRDAUOELSZCH-SJORKVTESA-N 0 1 380.479 3.496 20 0 GGADMN O=C(c1ccc2nc[nH]c2n1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273456846 1434989926 /nfs/dbraw/zinc/98/99/26/1434989926.db2.gz DRZMNPPCYBRBMS-CQSZACIVSA-N 0 1 379.468 3.144 20 0 GGADMN Cn1cnnc1C1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000273477972 1434991205 /nfs/dbraw/zinc/99/12/05/1434991205.db2.gz IGLLBSUUDJBACZ-UHFFFAOYSA-N 0 1 392.488 3.440 20 0 GGADMN NC(=O)[C@H](Cc1ccccc1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000273486901 1434991738 /nfs/dbraw/zinc/99/17/38/1434991738.db2.gz MMGSIWFUFHHYTB-NRFANRHFSA-N 0 1 394.519 3.010 20 0 GGADMN C[C@@H](NCc1nc(-c2ccco2)no1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273492736 1434992139 /nfs/dbraw/zinc/99/21/39/1434992139.db2.gz KYXMTQRIQXPXIK-ZIAGYGMSSA-N 0 1 376.457 3.455 20 0 GGADMN C[C@@H](NCc1nc(-c2ccco2)no1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273492732 1434992217 /nfs/dbraw/zinc/99/22/17/1434992217.db2.gz KYXMTQRIQXPXIK-KGLIPLIRSA-N 0 1 376.457 3.455 20 0 GGADMN COc1cccc(C2=CCN(C(=O)NC3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000273504386 1434992982 /nfs/dbraw/zinc/99/29/82/1434992982.db2.gz VVMJIEBCQKZYSL-UHFFFAOYSA-N 0 1 392.503 3.163 20 0 GGADMN COc1cccc(C2=CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000273509411 1434993568 /nfs/dbraw/zinc/99/35/68/1434993568.db2.gz WRAKMAGCFKNQPZ-UHFFFAOYSA-N 0 1 392.503 3.163 20 0 GGADMN C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273527562 1434994728 /nfs/dbraw/zinc/99/47/28/1434994728.db2.gz YJFRGRDGNGEHAW-TZMCWYRMSA-N 0 1 378.394 3.450 20 0 GGADMN CN(Cc1nc2ccccc2c(=O)n1C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273552000 1434996360 /nfs/dbraw/zinc/99/63/60/1434996360.db2.gz VLDIUUMGOQUKKN-PXNSSMCTSA-N 0 1 381.451 3.425 20 0 GGADMN C[C@H](NCc1nnc(-c2ccco2)o1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273556653 1434996552 /nfs/dbraw/zinc/99/65/52/1434996552.db2.gz YOCZPVLJZRLUCT-KBPBESRZSA-N 0 1 376.457 3.455 20 0 GGADMN O=C(Nc1nc2ccccn2n1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273558952 1434996696 /nfs/dbraw/zinc/99/66/96/1434996696.db2.gz DUXYNODPSXVBIF-OAHLLOKOSA-N 0 1 394.483 3.307 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc3cnn(C(C)C)c3nc2Cl)[C@@]12CCCO2 ZINC000273557083 1434996813 /nfs/dbraw/zinc/99/68/13/1434996813.db2.gz DIIMJPNEHQFTOU-MDZRGWNJSA-N 0 1 378.904 3.482 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000273576837 1434997907 /nfs/dbraw/zinc/99/79/07/1434997907.db2.gz LYPWTSLXMFUIDH-HOTGVXAUSA-N 0 1 386.517 3.027 20 0 GGADMN COC(=O)CC1(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CCOCC1 ZINC000273577758 1434997973 /nfs/dbraw/zinc/99/79/73/1434997973.db2.gz DLECWOVAQKYDSS-UHFFFAOYSA-N 0 1 399.472 3.134 20 0 GGADMN CN1CCN(C)[C@@H](CNC(=O)c2cc(Cl)ccc2Sc2ccccc2)C1 ZINC000273613762 1434999851 /nfs/dbraw/zinc/99/98/51/1434999851.db2.gz ONQRSUXBICIQHH-INIZCTEOSA-N 0 1 389.952 3.467 20 0 GGADMN CCOC(=O)c1cc2cc(C(=O)N3CCC(c4cc(C)[nH]n4)CC3)ccc2[nH]1 ZINC000273610872 1434999936 /nfs/dbraw/zinc/99/99/36/1434999936.db2.gz LYZQZHWUOBCYRX-UHFFFAOYSA-N 0 1 380.448 3.396 20 0 GGADMN NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000273737658 1435009470 /nfs/dbraw/zinc/00/94/70/1435009470.db2.gz AWJYNLJTNVXMNH-INIZCTEOSA-N 0 1 398.850 3.212 20 0 GGADMN CCO[C@@H]1C[C@H]1c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000273774435 1435012895 /nfs/dbraw/zinc/01/28/95/1435012895.db2.gz BWJCPNJZVXGACD-RHSMWYFYSA-N 0 1 376.888 3.424 20 0 GGADMN C[C@H](CN(C)C(=O)OC(C)(C)C)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000273795231 1435015161 /nfs/dbraw/zinc/01/51/61/1435015161.db2.gz HIKILFRTNAEKSC-CYBMUJFWSA-N 0 1 398.467 3.416 20 0 GGADMN CSc1ccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)o1 ZINC000273794193 1435015167 /nfs/dbraw/zinc/01/51/67/1435015167.db2.gz GZYPUZFYXYPGBD-CQSZACIVSA-N 0 1 384.461 3.168 20 0 GGADMN CCCc1ncc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)s1 ZINC000273803091 1435016067 /nfs/dbraw/zinc/01/60/67/1435016067.db2.gz HUHAUXCUZZBYBB-HNNXBMFYSA-N 0 1 397.504 3.262 20 0 GGADMN CCCc1ncc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)s1 ZINC000273803092 1435016093 /nfs/dbraw/zinc/01/60/93/1435016093.db2.gz HUHAUXCUZZBYBB-OAHLLOKOSA-N 0 1 397.504 3.262 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@]12CCCO2 ZINC000273816760 1435017762 /nfs/dbraw/zinc/01/77/62/1435017762.db2.gz JTXMEKDNLZNUSF-PMUMKWKESA-N 0 1 380.395 3.349 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)[nH]n1 ZINC000273854214 1435021875 /nfs/dbraw/zinc/02/18/75/1435021875.db2.gz LOXPOSQEBADEGI-UHFFFAOYSA-N 0 1 390.451 3.139 20 0 GGADMN CN(Cc1nc(-c2ccc(SC(C)(C)C)nc2)no1)c1ncnc2[nH]cnc21 ZINC000273871429 1435023804 /nfs/dbraw/zinc/02/38/04/1435023804.db2.gz DTSFDCIIWBAIDP-UHFFFAOYSA-N 0 1 396.480 3.325 20 0 GGADMN Cc1nn(C)c(C)c1C[C@@H](C)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000273871413 1435023833 /nfs/dbraw/zinc/02/38/33/1435023833.db2.gz NMHBERBAHPYUAE-GFCCVEGCSA-N 0 1 377.452 3.142 20 0 GGADMN O=C(CCc1nc(-c2ccc3[nH]cnc3c2)no1)N1CCc2sccc2C1 ZINC000273909264 1435027608 /nfs/dbraw/zinc/02/76/08/1435027608.db2.gz MTCOBBMGXBPURL-UHFFFAOYSA-N 0 1 379.445 3.192 20 0 GGADMN CC(C)c1ccc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)cn1 ZINC000273996488 1435035698 /nfs/dbraw/zinc/03/56/98/1435035698.db2.gz XUDABFZACYPMMG-IBGZPJMESA-N 0 1 391.475 3.372 20 0 GGADMN Cc1csc([C@@](O)(Cc2nc(-c3ccc4[nH]cnc4c3)no2)C(F)(F)F)n1 ZINC000274024073 1435037880 /nfs/dbraw/zinc/03/78/80/1435037880.db2.gz VJTBAUDYMMTDCM-HNNXBMFYSA-N 0 1 395.366 3.370 20 0 GGADMN CO[C@@H](C)c1nc(Cc2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)cs1 ZINC000274025198 1435038100 /nfs/dbraw/zinc/03/81/00/1435038100.db2.gz OADBJKBCGCBXAE-NSHDSACASA-N 0 1 399.480 3.232 20 0 GGADMN CO[C@H](C)c1nc(Cc2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)cs1 ZINC000274025196 1435038155 /nfs/dbraw/zinc/03/81/55/1435038155.db2.gz OADBJKBCGCBXAE-LLVKDONJSA-N 0 1 399.480 3.232 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000274053524 1435040024 /nfs/dbraw/zinc/04/00/24/1435040024.db2.gz LSAVGQJHKYDZFT-SFHVURJKSA-N 0 1 378.444 3.282 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000274056403 1435040210 /nfs/dbraw/zinc/04/02/10/1435040210.db2.gz CXHRTZWUTQTIKD-UHFFFAOYSA-N 0 1 383.431 3.164 20 0 GGADMN CN1CCCN(c2ccc(-c3noc(C[C@@](C)(O)C4CC4)n3)cc2Cl)CC1 ZINC000274071811 1435041185 /nfs/dbraw/zinc/04/11/85/1435041185.db2.gz FPCDVXDSHFATOZ-HXUWFJFHSA-N 0 1 390.915 3.235 20 0 GGADMN CC[C@H](NC(=O)OC(C)(C)C)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000274085325 1435042244 /nfs/dbraw/zinc/04/22/44/1435042244.db2.gz XZFABGDAYIARHA-ZDUSSCGKSA-N 0 1 384.440 3.421 20 0 GGADMN CN(C)c1cccc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000274128780 1435045796 /nfs/dbraw/zinc/04/57/96/1435045796.db2.gz OSCPWZWYJOXQAF-UHFFFAOYSA-N 0 1 391.479 3.344 20 0 GGADMN COc1ccccc1C(=O)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274187693 1435049655 /nfs/dbraw/zinc/04/96/55/1435049655.db2.gz JRWSZBHCRBLCGW-UHFFFAOYSA-N 0 1 390.443 3.069 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3c[nH]c4ccccc4c3=O)C2)C1 ZINC000274209760 1435051524 /nfs/dbraw/zinc/05/15/24/1435051524.db2.gz IEBWUGUJUFHDOK-JOCHJYFZSA-N 0 1 397.475 3.414 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)CCO2 ZINC000274260045 1435055524 /nfs/dbraw/zinc/05/55/24/1435055524.db2.gz KUJDTHQPDDYOKZ-ROUUACIJSA-N 0 1 385.464 3.248 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)CCO2 ZINC000274260050 1435055591 /nfs/dbraw/zinc/05/55/91/1435055591.db2.gz KUJDTHQPDDYOKZ-ZWKOTPCHSA-N 0 1 385.464 3.248 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)CCO2 ZINC000274274920 1435056887 /nfs/dbraw/zinc/05/68/87/1435056887.db2.gz SHNATXOBGNAAPN-DLBZAZTESA-N 0 1 375.494 3.182 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1nnc(C)s1)N1CCCC1 ZINC000274279890 1435057607 /nfs/dbraw/zinc/05/76/07/1435057607.db2.gz YPZGGCTVLHYNEW-BBRMVZONSA-N 0 1 389.525 3.052 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000274291095 1435058544 /nfs/dbraw/zinc/05/85/44/1435058544.db2.gz YSYXHCZJBGYAKF-FQEVSTJZSA-N 0 1 379.460 3.106 20 0 GGADMN Cc1cccc(O)c1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274297609 1435059197 /nfs/dbraw/zinc/05/91/97/1435059197.db2.gz AKFUQQGFSTXQMG-CYBMUJFWSA-N 0 1 381.425 3.056 20 0 GGADMN Cc1c(-c2cc(CN3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C3)on2)cnn1C ZINC000274323724 1435061808 /nfs/dbraw/zinc/06/18/08/1435061808.db2.gz JACRCJCHCRMLRN-CXAGYDPISA-N 0 1 389.500 3.119 20 0 GGADMN O=C(NCc1ccccc1)[C@@H](NCCc1cn2c(n1)SCC2)c1ccccc1 ZINC000274327117 1435061948 /nfs/dbraw/zinc/06/19/48/1435061948.db2.gz HYYRBXUSWPFCIU-FQEVSTJZSA-N 0 1 392.528 3.179 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c(O)c1 ZINC000274360695 1435065163 /nfs/dbraw/zinc/06/51/63/1435065163.db2.gz WGAVTJQAMRDRRB-ZDUSSCGKSA-N 0 1 381.425 3.056 20 0 GGADMN OCC[C@@H](NCc1cccc(CN[C@H](CCO)c2ccco2)c1)c1ccco1 ZINC000274368894 1435065839 /nfs/dbraw/zinc/06/58/39/1435065839.db2.gz AJDLCJZOXLPDNC-WOJBJXKFSA-N 0 1 384.476 3.299 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N(Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000274392152 1435067395 /nfs/dbraw/zinc/06/73/95/1435067395.db2.gz ONEJJDAWZHWQKL-NRFANRHFSA-N 0 1 378.476 3.472 20 0 GGADMN OCC[C@@H](NCc1ccccc1CN[C@H](CCO)c1ccco1)c1ccco1 ZINC000274392606 1435067657 /nfs/dbraw/zinc/06/76/57/1435067657.db2.gz HOCVYJJKSYMCKJ-WOJBJXKFSA-N 0 1 384.476 3.299 20 0 GGADMN CC(=O)NCCCCCC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000274397742 1435067800 /nfs/dbraw/zinc/06/78/00/1435067800.db2.gz DIJNEPWAFPJXSF-QGZVFWFLSA-N 0 1 387.446 3.121 20 0 GGADMN Cc1cnccc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000274395243 1435067835 /nfs/dbraw/zinc/06/78/35/1435067835.db2.gz DKLTUSMAJRVYSS-UHFFFAOYSA-N 0 1 387.487 3.360 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2cccc(SC)c2)cc1 ZINC000274400727 1435068014 /nfs/dbraw/zinc/06/80/14/1435068014.db2.gz BOFYZXMOEPHVNY-AWEZNQCLSA-N 0 1 388.489 3.250 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2cccc(SC)c2)cc1 ZINC000274400742 1435068096 /nfs/dbraw/zinc/06/80/96/1435068096.db2.gz BOFYZXMOEPHVNY-CQSZACIVSA-N 0 1 388.489 3.250 20 0 GGADMN CCCOc1cc(CNCc2n[nH]c(COc3ccccc3)n2)ccc1OC ZINC000274407868 1435068656 /nfs/dbraw/zinc/06/86/56/1435068656.db2.gz CRDSUXUILOSRHQ-UHFFFAOYSA-N 0 1 382.464 3.471 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCc2cc(F)cc3c2OCOC3)cc1 ZINC000274414817 1435069068 /nfs/dbraw/zinc/06/90/68/1435069068.db2.gz COCYVBLUIOWAOS-CYBMUJFWSA-N 0 1 375.396 3.095 20 0 GGADMN CC(C)[C@H](N[C@H](C)CCN1C(=O)c2ccccc2C1=O)c1nc(C2CC2)no1 ZINC000274421299 1435069526 /nfs/dbraw/zinc/06/95/26/1435069526.db2.gz YECUBAHMQYCQLL-DYVFJYSZSA-N 0 1 382.464 3.309 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(C(OC)OC)o1)N1CCCC1 ZINC000274419455 1435069590 /nfs/dbraw/zinc/06/95/90/1435069590.db2.gz DDSDUXJEEIGOLG-MRXNPFEDSA-N 0 1 388.464 3.147 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc3nnc(C(C)(C)C)n3c2)n1 ZINC000274431068 1435070575 /nfs/dbraw/zinc/07/05/75/1435070575.db2.gz NYDDMJJMTFRAPC-UHFFFAOYSA-N 0 1 391.435 3.073 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000274439252 1435070961 /nfs/dbraw/zinc/07/09/61/1435070961.db2.gz IMOCTPMDVZAXBE-HUUCEWRRSA-N 0 1 398.459 3.119 20 0 GGADMN OCC[C@@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000274464337 1435072817 /nfs/dbraw/zinc/07/28/17/1435072817.db2.gz YAHIMZKOIWCLAG-LEWJYISDSA-N 0 1 381.472 3.460 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000274507653 1435075316 /nfs/dbraw/zinc/07/53/16/1435075316.db2.gz AVBPUWIHGWQDOH-LBPRGKRZSA-N 0 1 377.803 3.071 20 0 GGADMN CC(C)OCc1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000274507692 1435075373 /nfs/dbraw/zinc/07/53/73/1435075373.db2.gz AVNBNQDJTMVJNQ-UHFFFAOYSA-N 0 1 380.448 3.239 20 0 GGADMN COc1cc(OC)cc(N2CCCN(Cc3cn(C)nc3C(F)F)CC2)c1 ZINC000274523749 1435076558 /nfs/dbraw/zinc/07/65/58/1435076558.db2.gz ZCFKRIDFKKPGNE-UHFFFAOYSA-N 0 1 380.439 3.087 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000274525679 1435076622 /nfs/dbraw/zinc/07/66/22/1435076622.db2.gz AACJDZWBFSCMFW-UONOGXRCSA-N 0 1 382.386 3.369 20 0 GGADMN COc1ccc(CN2CCCN(CCC(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000274529333 1435076987 /nfs/dbraw/zinc/07/69/87/1435076987.db2.gz YFUHUFSKDLLCRA-UHFFFAOYSA-N 0 1 395.503 3.067 20 0 GGADMN CCCN(C(=O)NCc1cn[nH]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000274547046 1435077902 /nfs/dbraw/zinc/07/79/02/1435077902.db2.gz CTKDKYGUZMICQT-UHFFFAOYSA-N 0 1 379.505 3.039 20 0 GGADMN CN1CCO[C@H]([C@H](NCc2cccc(-n3cncn3)c2)c2ccc(Cl)cc2)C1 ZINC000274551418 1435078198 /nfs/dbraw/zinc/07/81/98/1435078198.db2.gz DLUBPSSBANMWPF-LEWJYISDSA-N 0 1 397.910 3.082 20 0 GGADMN COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2cn[nH]c2C)c1 ZINC000274560569 1435078316 /nfs/dbraw/zinc/07/83/16/1435078316.db2.gz FWWZMBWNRWHWDB-OAQYLSRUSA-N 0 1 394.475 3.172 20 0 GGADMN CCc1c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cnn1-c1ccccc1OC ZINC000274563688 1435078578 /nfs/dbraw/zinc/07/85/78/1435078578.db2.gz PLTKUIUPBAZYSD-UHFFFAOYSA-N 0 1 393.491 3.495 20 0 GGADMN CSc1nc2nc(C)c(CC(=O)Nc3cc(F)cc(Cl)c3O)c(C)n2n1 ZINC000274588388 1435079517 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GGADMN CCc1c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cnn1-c1ccc(OC)cc1 ZINC000274697544 1435086111 /nfs/dbraw/zinc/08/61/11/1435086111.db2.gz MVKUBXIQTYOSMG-ZDUSSCGKSA-N 0 1 382.468 3.176 20 0 GGADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274752314 1435089663 /nfs/dbraw/zinc/08/96/63/1435089663.db2.gz MUWOXHSZVYSOGC-UHFFFAOYSA-N 0 1 376.464 3.024 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274820257 1435095380 /nfs/dbraw/zinc/09/53/80/1435095380.db2.gz BCFFFFKUVGGTRP-SJORKVTESA-N 0 1 393.535 3.160 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274820250 1435095400 /nfs/dbraw/zinc/09/54/00/1435095400.db2.gz BCFFFFKUVGGTRP-IRXDYDNUSA-N 0 1 393.535 3.160 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(OC(F)F)c3cccnc23)n[nH]1 ZINC000274834766 1435096594 /nfs/dbraw/zinc/09/65/94/1435096594.db2.gz KRRYKOBARZCOPB-VIFPVBQESA-N 0 1 376.367 3.399 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000274842114 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3.026 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000275130362 1435118044 /nfs/dbraw/zinc/11/80/44/1435118044.db2.gz RXSHPANDPFESQY-SECBINFHSA-N 0 1 395.303 3.347 20 0 GGADMN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000275130363 1435118146 /nfs/dbraw/zinc/11/81/46/1435118146.db2.gz RXSHPANDPFESQY-VIFPVBQESA-N 0 1 395.303 3.347 20 0 GGADMN CCOc1cccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1OC(F)F ZINC000275143033 1435118840 /nfs/dbraw/zinc/11/88/40/1435118840.db2.gz OYACLKLEVDSXIR-GFCCVEGCSA-N 0 1 396.356 3.187 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000275149078 1435119176 /nfs/dbraw/zinc/11/91/76/1435119176.db2.gz XIOIAXVLQIHKND-SNVBAGLBSA-N 0 1 389.324 3.120 20 0 GGADMN CCOc1ccc(-c2nc(CN3CC[C@@H](C(=O)NCC(F)(F)F)C3)co2)cc1 ZINC000275154508 1435119342 /nfs/dbraw/zinc/11/93/42/1435119342.db2.gz YUHDQJNGEMFZEJ-CQSZACIVSA-N 0 1 397.397 3.241 20 0 GGADMN CSCC[C@H](NCCC(=O)OCc1ccccc1)c1nnc2ccccn21 ZINC000275186128 1435121076 /nfs/dbraw/zinc/12/10/76/1435121076.db2.gz NZGCRQFIQWKEEM-KRWDZBQOSA-N 0 1 384.505 3.247 20 0 GGADMN CSCC[C@@H](NCCC(=O)OCc1ccccc1)c1nnc2ccccn21 ZINC000275186133 1435121157 /nfs/dbraw/zinc/12/11/57/1435121157.db2.gz NZGCRQFIQWKEEM-QGZVFWFLSA-N 0 1 384.505 3.247 20 0 GGADMN O=C([N-]OCCC(F)(F)F)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000275204837 1435122885 /nfs/dbraw/zinc/12/28/85/1435122885.db2.gz IRMBUDWVFFWEIT-CQSZACIVSA-N 0 1 384.320 3.441 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C ZINC000275267819 1435127271 /nfs/dbraw/zinc/12/72/71/1435127271.db2.gz IWUZWLRYBZOINK-KXBFYZLASA-N 0 1 376.888 3.057 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)C1)CCCC2 ZINC000275278592 1435128184 /nfs/dbraw/zinc/12/81/84/1435128184.db2.gz KGBFTODJXIJLQQ-RDJZCZTQSA-N 0 1 396.466 3.109 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C1)CCCC2 ZINC000275289021 1435129018 /nfs/dbraw/zinc/12/90/18/1435129018.db2.gz LOHVLVQPLHHZQU-FQEVSTJZSA-N 0 1 389.503 3.402 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cnn1C ZINC000275302881 1435129803 /nfs/dbraw/zinc/12/98/03/1435129803.db2.gz AYSONIUSXDRHRA-JVPBZIDWSA-N 0 1 395.463 3.173 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cc2c(cc1F)NC(=O)CC2)c1ccsc1 ZINC000275302671 1435129876 /nfs/dbraw/zinc/12/98/76/1435129876.db2.gz AOKXHNCSBRSEHV-INIZCTEOSA-N 0 1 376.457 3.196 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)n[nH]1 ZINC000275321164 1435131074 /nfs/dbraw/zinc/13/10/74/1435131074.db2.gz DLVTUXNDVLHOFE-SNVBAGLBSA-N 0 1 375.864 3.029 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)n[nH]1 ZINC000275321163 1435131126 /nfs/dbraw/zinc/13/11/26/1435131126.db2.gz DLVTUXNDVLHOFE-JTQLQIEISA-N 0 1 375.864 3.029 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)C1)CCCC2 ZINC000275323259 1435131416 /nfs/dbraw/zinc/13/14/16/1435131416.db2.gz PBIULKZPGSFMNC-NVAPDCRFSA-N 0 1 381.476 3.072 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000275328801 1435131850 /nfs/dbraw/zinc/13/18/50/1435131850.db2.gz JWDDTTCSRZFXPX-CMKODMSKSA-N 0 1 384.480 3.031 20 0 GGADMN Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000275347243 1435133089 /nfs/dbraw/zinc/13/30/89/1435133089.db2.gz MCLJOQCWBHQUBQ-YOEHRIQHSA-N 0 1 393.472 3.285 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC(c3nc4ccccc4s3)CC2)cn1 ZINC000275410253 1435137487 /nfs/dbraw/zinc/13/74/87/1435137487.db2.gz CHZQXBRYDGHUOD-UHFFFAOYSA-N 0 1 392.488 3.440 20 0 GGADMN COC(=O)CCCCC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000275415637 1435137846 /nfs/dbraw/zinc/13/78/46/1435137846.db2.gz STCAEEKYDIBHHR-GOSISDBHSA-N 0 1 376.497 3.072 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)CCn3cnc4ccccc43)C1)CCCC2 ZINC000275434962 1435138898 /nfs/dbraw/zinc/13/88/98/1435138898.db2.gz DAVZWAURJPNSOP-QGZVFWFLSA-N 0 1 377.492 3.284 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cncn3-c3ccccc3)C1)CCCC2 ZINC000275438720 1435139293 /nfs/dbraw/zinc/13/92/93/1435139293.db2.gz VGHDEQBMPQOPBM-SFHVURJKSA-N 0 1 375.476 3.343 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)CCc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000275464591 1435141123 /nfs/dbraw/zinc/14/11/23/1435141123.db2.gz XFTUTOGZSGVYMJ-INIZCTEOSA-N 0 1 377.492 3.353 20 0 GGADMN COc1cc(F)c(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)cc1OC ZINC000275474299 1435141815 /nfs/dbraw/zinc/14/18/15/1435141815.db2.gz XZGXDUAMQYOCDY-AWEZNQCLSA-N 0 1 387.455 3.314 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cccc(Cn4ccnc4)c3)C1)CCCC2 ZINC000275493586 1435143343 /nfs/dbraw/zinc/14/33/43/1435143343.db2.gz ZURULPURKMVFCL-FQEVSTJZSA-N 0 1 389.503 3.402 20 0 GGADMN Cn1cc([C@H]2OCCC[C@@H]2NCc2nc3cc(C(F)(F)F)ccc3n2C)cn1 ZINC000275498158 1435143519 /nfs/dbraw/zinc/14/35/19/1435143519.db2.gz JKTYMYWWFRELOL-KBXCAEBGSA-N 0 1 393.413 3.336 20 0 GGADMN COc1cccc(CNC(=O)c2cn[nH]c2-c2cnn(C)c2)c1OC1CCCC1 ZINC000275512383 1435144704 /nfs/dbraw/zinc/14/47/04/1435144704.db2.gz MKFSIPPMRLPAHX-UHFFFAOYSA-N 0 1 395.463 3.070 20 0 GGADMN COC(=O)c1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3nccn3C)o2)cc1 ZINC000275538099 1435146611 /nfs/dbraw/zinc/14/66/11/1435146611.db2.gz MLXBJOZVZIDBMA-HKUYNNGSSA-N 0 1 381.432 3.087 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275596663 1435151605 /nfs/dbraw/zinc/15/16/05/1435151605.db2.gz RYHLQQQQFVZEPM-LLVKDONJSA-N 0 1 377.370 3.190 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000275629673 1435154316 /nfs/dbraw/zinc/15/43/16/1435154316.db2.gz LHXJHLZLHIZUJZ-AWEZNQCLSA-N 0 1 395.594 3.474 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](n4c(C)nc5c4CCCC5)C3)[nH]n2)o1 ZINC000275637739 1435155287 /nfs/dbraw/zinc/15/52/87/1435155287.db2.gz MNECKAGGLYGQPE-HNNXBMFYSA-N 0 1 379.464 3.449 20 0 GGADMN CCCN(C(=O)C(=O)Nc1c(C)noc1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000275648760 1435156186 /nfs/dbraw/zinc/15/61/86/1435156186.db2.gz GCBCEHFYXVVCMI-IBGZPJMESA-N 0 1 398.507 3.133 20 0 GGADMN C[C@H](NCc1cnn(Cc2ccc(F)cc2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000275663473 1435157724 /nfs/dbraw/zinc/15/77/24/1435157724.db2.gz XTZQAOJYDFEELC-HNNXBMFYSA-N 0 1 378.451 3.440 20 0 GGADMN CCCCOCCOCc1cccc(NC(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)c1 ZINC000275708385 1435161665 /nfs/dbraw/zinc/16/16/65/1435161665.db2.gz GRQCBQQNFHNVAP-KNQAVFIVSA-N 0 1 392.540 3.491 20 0 GGADMN CCCCOCCOCc1cccc(NC(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)c1 ZINC000275708359 1435161671 /nfs/dbraw/zinc/16/16/71/1435161671.db2.gz GRQCBQQNFHNVAP-DENIHFKCSA-N 0 1 392.540 3.491 20 0 GGADMN C[C@@H]1C(=O)CC[C@H](C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1(C)C ZINC000275757848 1435166253 /nfs/dbraw/zinc/16/62/53/1435166253.db2.gz ZCLUDHDKNJBHKZ-HMXCVIKNSA-N 0 1 399.579 3.123 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H](C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1(C)C ZINC000275757847 1435166290 /nfs/dbraw/zinc/16/62/90/1435166290.db2.gz ZCLUDHDKNJBHKZ-HLAWJBBLSA-N 0 1 399.579 3.123 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(Cl)c1 ZINC000275759748 1435166538 /nfs/dbraw/zinc/16/65/38/1435166538.db2.gz YLRCUDVVTMETEJ-LLVKDONJSA-N 0 1 393.875 3.185 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@H]2CCN(Cc3ccc4nc(C)ccc4c3)C2)no1 ZINC000275764890 1435167017 /nfs/dbraw/zinc/16/70/17/1435167017.db2.gz VHCPABKEHLAOBC-IBGZPJMESA-N 0 1 393.491 3.112 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@@H]2CCN(Cc3ccc4nc(C)ccc4c3)C2)no1 ZINC000275764894 1435167036 /nfs/dbraw/zinc/16/70/36/1435167036.db2.gz VHCPABKEHLAOBC-LJQANCHMSA-N 0 1 393.491 3.112 20 0 GGADMN CCN(Cc1ccncc1)C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000275771032 1435167563 /nfs/dbraw/zinc/16/75/63/1435167563.db2.gz ODMOFAMIBZFVFZ-KRWDZBQOSA-N 0 1 394.519 3.429 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)C1(C)C ZINC000275783262 1435168732 /nfs/dbraw/zinc/16/87/32/1435168732.db2.gz NHRCLAUKTLCVML-SIKLNZKXSA-N 0 1 399.491 3.140 20 0 GGADMN COc1ccc(CNC(=O)c2cn[nH]c2-c2cnn(C)c2)cc1OC1CCCC1 ZINC000275802104 1435170995 /nfs/dbraw/zinc/17/09/95/1435170995.db2.gz KELZDPZJDSHVOT-UHFFFAOYSA-N 0 1 395.463 3.070 20 0 GGADMN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCCN1CCCOCC1 ZINC000275805966 1435171362 /nfs/dbraw/zinc/17/13/62/1435171362.db2.gz ULZMHVXQEIVWAL-UHFFFAOYSA-N 0 1 392.500 3.186 20 0 GGADMN CCOC(=O)COc1ccc(CCN[C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000275813974 1435171972 /nfs/dbraw/zinc/17/19/72/1435171972.db2.gz FLMIWQJEFNGINU-NRFANRHFSA-N 0 1 397.450 3.412 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cn1 ZINC000275919596 1435179705 /nfs/dbraw/zinc/17/97/05/1435179705.db2.gz GCENOVUTXRQZNP-ZDUSSCGKSA-N 0 1 396.520 3.165 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cn1 ZINC000275973248 1435183328 /nfs/dbraw/zinc/18/33/28/1435183328.db2.gz NSYFZNXSTXMPJS-AWEZNQCLSA-N 0 1 399.882 3.395 20 0 GGADMN COc1ccc(COCCCC(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000276002123 1435184846 /nfs/dbraw/zinc/18/48/46/1435184846.db2.gz ORXQUPXUQGGWCN-UHFFFAOYSA-N 0 1 394.475 3.136 20 0 GGADMN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000276050497 1435187914 /nfs/dbraw/zinc/18/79/14/1435187914.db2.gz AFMIEEOQZXKVFE-MRXNPFEDSA-N 0 1 384.446 3.418 20 0 GGADMN CCOC(CCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)OCC ZINC000276076885 1435189644 /nfs/dbraw/zinc/18/96/44/1435189644.db2.gz HHBDXQYQIDBMIJ-UHFFFAOYSA-N 0 1 397.947 3.393 20 0 GGADMN COc1ccc2c(c1)[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)CCS2 ZINC000276094555 1435190528 /nfs/dbraw/zinc/19/05/28/1435190528.db2.gz DKIUIPQFEUADMR-CZUORRHYSA-N 0 1 387.427 3.005 20 0 GGADMN Cn1cc([C@H](NCCOCC(F)(F)C(F)(F)F)c2ccc(F)cc2)cn1 ZINC000276100250 1435190967 /nfs/dbraw/zinc/19/09/67/1435190967.db2.gz SFJHKLHIYZODDV-CQSZACIVSA-N 0 1 381.320 3.452 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)n[nH]1 ZINC000276116370 1435192034 /nfs/dbraw/zinc/19/20/34/1435192034.db2.gz ARMASJAWIMATAK-GHMZBOCLSA-N 0 1 381.864 3.317 20 0 GGADMN COc1ccc2c(c1)[C@H](N[C@H]1CCCN(Cc3ccccn3)C1=O)CCS2 ZINC000276156844 1435194546 /nfs/dbraw/zinc/19/45/46/1435194546.db2.gz QAFBINPKDRXYOV-MOPGFXCFSA-N 0 1 383.517 3.408 20 0 GGADMN COc1ccc2c(c1)[C@H](N[C@@H]1CCCN(Cc3ccccn3)C1=O)CCS2 ZINC000276156856 1435194561 /nfs/dbraw/zinc/19/45/61/1435194561.db2.gz QAFBINPKDRXYOV-RTBURBONSA-N 0 1 383.517 3.408 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2[nH]c1=S ZINC000276175783 1435195464 /nfs/dbraw/zinc/19/54/64/1435195464.db2.gz IFRPVUVOVVBGIN-LBPRGKRZSA-N 0 1 385.411 3.025 20 0 GGADMN CCOC(=O)c1csc(CCNC(=O)[C@H](c2ccccc2)N(CC)CC)n1 ZINC000276192143 1435196464 /nfs/dbraw/zinc/19/64/64/1435196464.db2.gz MPJJTWSYRQIEKA-SFHVURJKSA-N 0 1 389.521 3.062 20 0 GGADMN Fc1ccc(Cn2cc(CN3CCC(c4nnc5n4CCCC5)CC3)cn2)cc1 ZINC000276238660 1435199493 /nfs/dbraw/zinc/19/94/93/1435199493.db2.gz NZWOCZMLCQMDOZ-UHFFFAOYSA-N 0 1 394.498 3.378 20 0 GGADMN CSCC[C@@H](NCCOCC(F)(F)C(F)(F)F)c1nnc2ccccn21 ZINC000276279164 1435201638 /nfs/dbraw/zinc/20/16/38/1435201638.db2.gz TZEQGKDAWXJPAI-LLVKDONJSA-N 0 1 398.401 3.327 20 0 GGADMN CCOC(CCNC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1)OCC ZINC000276316195 1435204363 /nfs/dbraw/zinc/20/43/63/1435204363.db2.gz GALNJVSVCTUPSG-LJQANCHMSA-N 0 1 377.529 3.082 20 0 GGADMN CCOC(CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1)OCC ZINC000276316194 1435204407 /nfs/dbraw/zinc/20/44/07/1435204407.db2.gz GALNJVSVCTUPSG-IBGZPJMESA-N 0 1 377.529 3.082 20 0 GGADMN CC(=O)c1ccc(-c2nc(-c3ccccc3CN3CCC[C@H]3C(N)=O)no2)cc1 ZINC000276341714 1435205970 /nfs/dbraw/zinc/20/59/70/1435205970.db2.gz TYGKHTPQWZCFBW-IBGZPJMESA-N 0 1 390.443 3.056 20 0 GGADMN CC(=O)c1ccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)cc1 ZINC000276341721 1435205999 /nfs/dbraw/zinc/20/59/99/1435205999.db2.gz TYGKHTPQWZCFBW-LJQANCHMSA-N 0 1 390.443 3.056 20 0 GGADMN COC(=O)c1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)cc1C ZINC000276381016 1435208104 /nfs/dbraw/zinc/20/81/04/1435208104.db2.gz CVGXLFBOUWZCDW-HNNXBMFYSA-N 0 1 397.479 3.497 20 0 GGADMN Cc1c([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cnn1C(C)(C)C ZINC000276380932 1435208186 /nfs/dbraw/zinc/20/81/86/1435208186.db2.gz QCWDDYBQXKEQJY-MRXNPFEDSA-N 0 1 384.524 3.270 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)c1ccsc1 ZINC000276381284 1435208235 /nfs/dbraw/zinc/20/82/35/1435208235.db2.gz OGXFSKSVHDTJOO-HNNXBMFYSA-N 0 1 394.928 3.243 20 0 GGADMN CCS(=O)(=O)CCCCCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276391598 1435208984 /nfs/dbraw/zinc/20/89/84/1435208984.db2.gz IJTFGAURHIWFKM-CQSZACIVSA-N 0 1 381.498 3.001 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000276434977 1435211248 /nfs/dbraw/zinc/21/12/48/1435211248.db2.gz XIHWVVJYJVJDOA-KRWDZBQOSA-N 0 1 383.540 3.292 20 0 GGADMN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CC(=O)c2ccccc21 ZINC000276560599 1435217716 /nfs/dbraw/zinc/21/77/16/1435217716.db2.gz PPEOBZVVVQAFIA-OAQYLSRUSA-N 0 1 378.472 3.200 20 0 GGADMN Cc1c([C@H](C)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cnn1C(C)C ZINC000276602188 1435220036 /nfs/dbraw/zinc/22/00/36/1435220036.db2.gz YCQHAWMOSBAKBR-AWEZNQCLSA-N 0 1 394.516 3.302 20 0 GGADMN CCOc1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ccc1OCC(=O)OC ZINC000276642498 1435222387 /nfs/dbraw/zinc/22/23/87/1435222387.db2.gz CWZDPBMZGZLAAO-UHFFFAOYSA-N 0 1 383.404 3.074 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC000276653569 1435222823 /nfs/dbraw/zinc/22/28/23/1435222823.db2.gz DZHXVKWKWNPXQT-UHFFFAOYSA-N 0 1 386.481 3.279 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)c1ccsc1 ZINC000276667590 1435223792 /nfs/dbraw/zinc/22/37/92/1435223792.db2.gz RESHHCPAVQXPJG-KRWDZBQOSA-N 0 1 392.500 3.138 20 0 GGADMN C[C@@H](O)[C@@](C)(CNCc1c(Cl)cccc1S(C)(=O)=O)Cc1ccccc1 ZINC000276688864 1435225366 /nfs/dbraw/zinc/22/53/66/1435225366.db2.gz KBFSEXVZIOEEQB-FOIQADDNSA-N 0 1 395.952 3.463 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccccc2-c2nncn2CC)n[nH]1 ZINC000276758377 1435230405 /nfs/dbraw/zinc/23/04/05/1435230405.db2.gz BMXNGIHTILOEON-QWHCGFSZSA-N 0 1 382.472 3.479 20 0 GGADMN COC(=O)c1cc(CN2CCC(c3noc(-c4ccccc4OC)n3)CC2)c[nH]1 ZINC000276774527 1435231484 /nfs/dbraw/zinc/23/14/84/1435231484.db2.gz ISULMIAVMBNWLM-UHFFFAOYSA-N 0 1 396.447 3.240 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)n[nH]1 ZINC000276776062 1435231676 /nfs/dbraw/zinc/23/16/76/1435231676.db2.gz CUIXRJOEVPOJQB-VXGBXAGGSA-N 0 1 398.471 3.317 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)n[nH]1 ZINC000276776057 1435231686 /nfs/dbraw/zinc/23/16/86/1435231686.db2.gz CUIXRJOEVPOJQB-NWDGAFQWSA-N 0 1 398.471 3.317 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c(C)c1 ZINC000276783610 1435232289 /nfs/dbraw/zinc/23/22/89/1435232289.db2.gz AUIVACKTHORAKB-TZMCWYRMSA-N 0 1 387.484 3.231 20 0 GGADMN COCCCCN(Cc1ccccc1)C(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276786642 1435232356 /nfs/dbraw/zinc/23/23/56/1435232356.db2.gz KCQLQDUTHWDYNI-UHFFFAOYSA-N 0 1 394.475 3.265 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1 ZINC000276788352 1435232667 /nfs/dbraw/zinc/23/26/67/1435232667.db2.gz DYTGEULVXDKMKW-CHWSQXEVSA-N 0 1 386.456 3.153 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276791134 1435232719 /nfs/dbraw/zinc/23/27/19/1435232719.db2.gz QYWFMHOZFFBMBA-JOCHJYFZSA-N 0 1 391.515 3.156 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)n[nH]1 ZINC000276789505 1435232723 /nfs/dbraw/zinc/23/27/23/1435232723.db2.gz BIJCATDVXWMVPS-OGHNNQOOSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)n[nH]1 ZINC000276791402 1435232773 /nfs/dbraw/zinc/23/27/73/1435232773.db2.gz BOODQGZWULQQSE-QWRGUYRKSA-N 0 1 389.891 3.419 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n[nH]1 ZINC000276793191 1435232933 /nfs/dbraw/zinc/23/29/33/1435232933.db2.gz BRFCPCOIXBISLJ-VXGBXAGGSA-N 0 1 398.492 3.258 20 0 GGADMN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc4cn[nH]c4cc3C)CCC(=O)N2C)cc1 ZINC000276792821 1435232983 /nfs/dbraw/zinc/23/29/83/1435232983.db2.gz RCDOGBBIANDVQQ-DYESRHJHSA-N 0 1 392.459 3.428 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)n[nH]1 ZINC000276796999 1435233393 /nfs/dbraw/zinc/23/33/93/1435233393.db2.gz CGTLAPYUHRQKDD-UONOGXRCSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)n[nH]1 ZINC000276804730 1435233979 /nfs/dbraw/zinc/23/39/79/1435233979.db2.gz DAIHTDCONYWNPZ-QWRGUYRKSA-N 0 1 396.451 3.153 20 0 GGADMN Cc1c(C(=O)Nc2cc3cn[nH]c3cc2C)cnn1CCO[C@@H]1CCCCO1 ZINC000276807990 1435234103 /nfs/dbraw/zinc/23/41/03/1435234103.db2.gz TWNQCJKPBKQCJD-LJQANCHMSA-N 0 1 383.452 3.172 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(SC(F)F)c2)n[nH]1 ZINC000276810536 1435234376 /nfs/dbraw/zinc/23/43/76/1435234376.db2.gz DPPBGXJLYRMNGG-NXEZZACHSA-N 0 1 397.451 3.449 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276812471 1435234623 /nfs/dbraw/zinc/23/46/23/1435234623.db2.gz DTENVRLDEKCBEC-MNOVXSKESA-N 0 1 393.875 3.186 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCCC(=O)N2Cc3ccccc3C2)n[nH]1 ZINC000276816786 1435234760 /nfs/dbraw/zinc/23/47/60/1435234760.db2.gz FCZKAJZJXGZBLE-LSDHHAIUSA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)n[nH]1 ZINC000276830756 1435235868 /nfs/dbraw/zinc/23/58/68/1435235868.db2.gz GOZKBXSVVUTAIO-CHWSQXEVSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)n[nH]1 ZINC000276830769 1435235873 /nfs/dbraw/zinc/23/58/73/1435235873.db2.gz GOZKBXSVVUTAIO-STQMWFEESA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276832285 1435236048 /nfs/dbraw/zinc/23/60/48/1435236048.db2.gz HSUKSBVBXDKCSJ-QWRGUYRKSA-N 0 1 377.445 3.227 20 0 GGADMN Cc1csc([C@@](O)(CC(=O)Nc2cc3cn[nH]c3cc2C)C(F)(F)F)n1 ZINC000276833687 1435236222 /nfs/dbraw/zinc/23/62/22/1435236222.db2.gz WQWFKFHVIFFAKL-HNNXBMFYSA-N 0 1 384.383 3.415 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)n[nH]1 ZINC000276835255 1435236330 /nfs/dbraw/zinc/23/63/30/1435236330.db2.gz AEMQEXFWIMURET-KGLIPLIRSA-N 0 1 392.463 3.457 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000276838050 1435236518 /nfs/dbraw/zinc/23/65/18/1435236518.db2.gz RZIIGTSZXPFPBG-LJQANCHMSA-N 0 1 377.448 3.349 20 0 GGADMN CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1 ZINC000276835566 1435236555 /nfs/dbraw/zinc/23/65/55/1435236555.db2.gz GIJCECCIQOMPPS-UHFFFAOYSA-N 0 1 386.452 3.443 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)n[nH]1 ZINC000276842258 1435236903 /nfs/dbraw/zinc/23/69/03/1435236903.db2.gz CFFKBSAHYTVCMM-YNEHKIRRSA-N 0 1 380.514 3.142 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n[nH]1 ZINC000276849732 1435237304 /nfs/dbraw/zinc/23/73/04/1435237304.db2.gz IVMFGJZYGXFYJW-NWDGAFQWSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n[nH]1 ZINC000276849735 1435237315 /nfs/dbraw/zinc/23/73/15/1435237315.db2.gz IVMFGJZYGXFYJW-VXGBXAGGSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2nccn2CCc2ccccc2)n[nH]1 ZINC000276850899 1435237371 /nfs/dbraw/zinc/23/73/71/1435237371.db2.gz IVOUEAOVQIKGSJ-JKSUJKDBSA-N 0 1 395.511 3.318 20 0 GGADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CC[C@@H](N2CCCC2=O)C1 ZINC000276851391 1435237537 /nfs/dbraw/zinc/23/75/37/1435237537.db2.gz YOHISIGUBSEPRQ-CYBMUJFWSA-N 0 1 380.473 3.128 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000276851116 1435237567 /nfs/dbraw/zinc/23/75/67/1435237567.db2.gz IYFFCSHQQAWDPD-QMMBQJITSA-N 0 1 393.438 3.487 20 0 GGADMN COC1(C(=O)Nc2cc3cn[nH]c3cc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000276851488 1435237634 /nfs/dbraw/zinc/23/76/34/1435237634.db2.gz YSHKHJJBJHLXMW-UHFFFAOYSA-N 0 1 388.468 3.226 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)n[nH]1 ZINC000276865611 1435238483 /nfs/dbraw/zinc/23/84/83/1435238483.db2.gz LATRMVACTHQBHW-AAEUAGOBSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(C)cc2OCCOC)n[nH]1 ZINC000276863846 1435238497 /nfs/dbraw/zinc/23/84/97/1435238497.db2.gz KRKUSYMLCKGIOT-CABCVRRESA-N 0 1 389.500 3.212 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)n[nH]1 ZINC000276867255 1435238635 /nfs/dbraw/zinc/23/86/35/1435238635.db2.gz LATRMVACTHQBHW-YPMHNXCESA-N 0 1 396.451 3.098 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000276868209 1435238668 /nfs/dbraw/zinc/23/86/68/1435238668.db2.gz YCRAFLGGDHUILT-UHFFFAOYSA-N 0 1 384.480 3.150 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276871278 1435238924 /nfs/dbraw/zinc/23/89/24/1435238924.db2.gz HHRNMJSYKVPYMQ-TYDXBBDOSA-N 0 1 388.468 3.235 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCc2ccc(NC(=O)OC)cc2)n[nH]1 ZINC000276869243 1435238952 /nfs/dbraw/zinc/23/89/52/1435238952.db2.gz LIUXWCYAFTYVLK-STQMWFEESA-N 0 1 388.472 3.099 20 0 GGADMN COCCN(C(=O)C(=O)Nc1cc2cn[nH]c2cc1C)[C@@H](C)c1ccccc1 ZINC000276872877 1435239185 /nfs/dbraw/zinc/23/91/85/1435239185.db2.gz YRRKGYRVEZOUFX-HNNXBMFYSA-N 0 1 380.448 3.046 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000276875098 1435239304 /nfs/dbraw/zinc/23/93/04/1435239304.db2.gz ZEFILJGPUTUJLD-AWEZNQCLSA-N 0 1 380.448 3.474 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cn(C)nc2-c2ccccc2)n[nH]1 ZINC000276875212 1435239323 /nfs/dbraw/zinc/23/93/23/1435239323.db2.gz LVGAAKZFTKLEDV-KBPBESRZSA-N 0 1 381.484 3.279 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccccc2CSc2nc[nH]n2)n[nH]1 ZINC000276878907 1435239531 /nfs/dbraw/zinc/23/95/31/1435239531.db2.gz IHQNKWCTMMPWJI-NEPJUHHUSA-N 0 1 385.497 3.220 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)n[nH]1 ZINC000276892862 1435240595 /nfs/dbraw/zinc/24/05/95/1435240595.db2.gz NWRSUPLLTICHJD-JGVFFNPUSA-N 0 1 385.802 3.066 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)n[nH]1 ZINC000276892864 1435240680 /nfs/dbraw/zinc/24/06/80/1435240680.db2.gz NWRSUPLLTICHJD-SFYZADRCSA-N 0 1 385.802 3.066 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2sc(C)nc2CC(C)C)n[nH]1 ZINC000276898019 1435241186 /nfs/dbraw/zinc/24/11/86/1435241186.db2.gz OOLSJHSMWOEZPL-QWRGUYRKSA-N 0 1 392.529 3.098 20 0 GGADMN CCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1CCC(C)C ZINC000276917605 1435242801 /nfs/dbraw/zinc/24/28/01/1435242801.db2.gz OPHKEDIIKOSWIR-UHFFFAOYSA-N 0 1 378.498 3.251 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)n[nH]1 ZINC000276923927 1435243322 /nfs/dbraw/zinc/24/33/22/1435243322.db2.gz LMQWPOLSLCFQLV-YNEHKIRRSA-N 0 1 388.472 3.174 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)n[nH]1 ZINC000276925515 1435243593 /nfs/dbraw/zinc/24/35/93/1435243593.db2.gz SDLXFAHPBTYCOH-RYUDHWBXSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(COC(C)C)cc2)n[nH]1 ZINC000276928679 1435243913 /nfs/dbraw/zinc/24/39/13/1435243913.db2.gz STGQFMKTGXTTLD-ZIAGYGMSSA-N 0 1 387.484 3.059 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000276928995 1435243944 /nfs/dbraw/zinc/24/39/44/1435243944.db2.gz IKSOALQWSTXPMR-CRAIPNDOSA-N 0 1 398.850 3.110 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)n[nH]1 ZINC000276928502 1435243966 /nfs/dbraw/zinc/24/39/66/1435243966.db2.gz MCGJTSWPWASGFD-STQMWFEESA-N 0 1 390.463 3.177 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)n[nH]1 ZINC000276928686 1435243987 /nfs/dbraw/zinc/24/39/87/1435243987.db2.gz STJBGHVXKQHXTC-FIXISWKDSA-N 0 1 381.427 3.344 20 0 GGADMN O=C(c1c(O)cccc1F)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276928462 1435243992 /nfs/dbraw/zinc/24/39/92/1435243992.db2.gz MBDPDXSDXOGFJC-CQSZACIVSA-N 0 1 375.400 3.176 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)n[nH]1 ZINC000276928696 1435244020 /nfs/dbraw/zinc/24/40/20/1435244020.db2.gz STLPCEDPPSVGDH-MWLCHTKSSA-N 0 1 397.401 3.461 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000276930758 1435244156 /nfs/dbraw/zinc/24/41/56/1435244156.db2.gz IRKZVFMVBCHBRJ-HNAYVOBHSA-N 0 1 392.459 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)n[nH]1 ZINC000276930089 1435244251 /nfs/dbraw/zinc/24/42/51/1435244251.db2.gz SWLGASOVKNQOSU-UWVGGRQHSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(N3CCOC3=O)ccc2C)n[nH]1 ZINC000276937194 1435244969 /nfs/dbraw/zinc/24/49/69/1435244969.db2.gz MZTQTTVHLYFEGD-YPMHNXCESA-N 0 1 386.456 3.466 20 0 GGADMN COCCN(C)c1ccc(CNCc2ccccc2OCC(F)(F)F)cn1 ZINC000276936847 1435245034 /nfs/dbraw/zinc/24/50/34/1435245034.db2.gz FITXIXIBOCYKHS-UHFFFAOYSA-N 0 1 383.414 3.395 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c([C@H](C)CC)n3)ccc21 ZINC000276937409 1435245041 /nfs/dbraw/zinc/24/50/41/1435245041.db2.gz UJFDJBKRKCOURZ-KGLIPLIRSA-N 0 1 396.495 3.499 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1 ZINC000276941737 1435245411 /nfs/dbraw/zinc/24/54/11/1435245411.db2.gz UUSGPYWAIWLYDR-NWDGAFQWSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1 ZINC000276941746 1435245498 /nfs/dbraw/zinc/24/54/98/1435245498.db2.gz UUSGPYWAIWLYDR-VXGBXAGGSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCC2)n[nH]1 ZINC000276945734 1435245877 /nfs/dbraw/zinc/24/58/77/1435245877.db2.gz VGZXDMNXGJFTKY-CABCVRRESA-N 0 1 398.511 3.124 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)n[nH]1 ZINC000276955732 1435246779 /nfs/dbraw/zinc/24/67/79/1435246779.db2.gz WNKHLXYCJDIZID-QWRGUYRKSA-N 0 1 396.451 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1 ZINC000276959028 1435247144 /nfs/dbraw/zinc/24/71/44/1435247144.db2.gz PCIXMMIDFITVGJ-HUUCEWRRSA-N 0 1 386.500 3.033 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(CN(C)C(=O)OC)cc2)n[nH]1 ZINC000276960825 1435247359 /nfs/dbraw/zinc/24/73/59/1435247359.db2.gz PFCGTRIBMHVUKR-OLZOCXBDSA-N 0 1 388.472 3.399 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)n[nH]1 ZINC000276965550 1435247743 /nfs/dbraw/zinc/24/77/43/1435247743.db2.gz XOFKFSKYRVXMRQ-GHMZBOCLSA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)n[nH]1 ZINC000276965566 1435247811 /nfs/dbraw/zinc/24/78/11/1435247811.db2.gz XOFKFSKYRVXMRQ-WDEREUQCSA-N 0 1 397.401 3.239 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)n[nH]1 ZINC000276967477 1435247966 /nfs/dbraw/zinc/24/79/66/1435247966.db2.gz XUAGRTLWBOEUFH-JGVFFNPUSA-N 0 1 385.802 3.066 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)n[nH]1 ZINC000276967484 1435247973 /nfs/dbraw/zinc/24/79/73/1435247973.db2.gz XUAGRTLWBOEUFH-YUMQZZPRSA-N 0 1 385.802 3.066 20 0 GGADMN C[C@H](c1nc(-c2ccc(C(=O)N3CCOCC3)cc2)no1)N1CCCCCC1 ZINC000276969680 1435248437 /nfs/dbraw/zinc/24/84/37/1435248437.db2.gz TZIPJNVVDUOFKV-MRXNPFEDSA-N 0 1 384.480 3.146 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1Cl ZINC000276981837 1435249545 /nfs/dbraw/zinc/24/95/45/1435249545.db2.gz ZLULCBHAFDFXPK-GHMZBOCLSA-N 0 1 393.875 3.186 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)n[nH]1 ZINC000276990493 1435250272 /nfs/dbraw/zinc/25/02/72/1435250272.db2.gz SJQYFOPGTFEJBW-WCQYABFASA-N 0 1 398.467 3.163 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000276990807 1435250355 /nfs/dbraw/zinc/25/03/55/1435250355.db2.gz NASRYSPXTKCABV-QGZVFWFLSA-N 0 1 394.431 3.006 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(F)ccc2OCCOC)n[nH]1 ZINC000277001234 1435251033 /nfs/dbraw/zinc/25/10/33/1435251033.db2.gz UJDQIPBRVSQHJE-NEPJUHHUSA-N 0 1 379.436 3.365 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)ccc2OCCOC)n[nH]1 ZINC000277001241 1435251112 /nfs/dbraw/zinc/25/11/12/1435251112.db2.gz UJDQIPBRVSQHJE-VXGBXAGGSA-N 0 1 379.436 3.365 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)ccc2OCCOC)n[nH]1 ZINC000277001236 1435251116 /nfs/dbraw/zinc/25/11/16/1435251116.db2.gz UJDQIPBRVSQHJE-NWDGAFQWSA-N 0 1 379.436 3.365 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000277010964 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GGADMN COc1ccccc1N1CC[C@H](N[C@H](Cc2nc(C)no2)c2ccccc2)C1=O ZINC000277428080 1435303896 /nfs/dbraw/zinc/30/38/96/1435303896.db2.gz PUFDFAKDUDEXIV-ZWKOTPCHSA-N 0 1 392.459 3.066 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000277444636 1435305211 /nfs/dbraw/zinc/30/52/11/1435305211.db2.gz HGWPXEJGFXNEMT-INIZCTEOSA-N 0 1 397.441 3.253 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277449164 1435305449 /nfs/dbraw/zinc/30/54/49/1435305449.db2.gz RCJNAWRFHKKJJB-XOBRGWDASA-N 0 1 392.459 3.481 20 0 GGADMN O=C([O-])[C@@H](C[NH+]1CCCCC1)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000277463451 1435306432 /nfs/dbraw/zinc/30/64/32/1435306432.db2.gz VSIHMKPJYSMGIP-OAQYLSRUSA-N 0 1 386.467 3.433 20 0 GGADMN O=C([O-])[C@H](C[NH+]1CCCCC1)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000277463446 1435306444 /nfs/dbraw/zinc/30/64/44/1435306444.db2.gz VSIHMKPJYSMGIP-NRFANRHFSA-N 0 1 386.467 3.433 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000277474076 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379.382 3.449 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c2ccccc2)n1 ZINC000277555873 1435312458 /nfs/dbraw/zinc/31/24/58/1435312458.db2.gz ZHSSMZBEKIVBHB-YWZLYKJASA-N 0 1 396.466 3.438 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000277562061 1435312927 /nfs/dbraw/zinc/31/29/27/1435312927.db2.gz RVJWOGMMYRECOJ-UHFFFAOYSA-N 0 1 389.477 3.033 20 0 GGADMN CCC(CC)(CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000277568717 1435313376 /nfs/dbraw/zinc/31/33/76/1435313376.db2.gz XRKRLJDBKNJOCC-KRWDZBQOSA-N 0 1 378.538 3.001 20 0 GGADMN Cc1csc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)cc2)n1 ZINC000277573570 1435313645 /nfs/dbraw/zinc/31/36/45/1435313645.db2.gz TVJOSWKPSMZBDY-SFHVURJKSA-N 0 1 398.532 3.190 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000277586255 1435314603 /nfs/dbraw/zinc/31/46/03/1435314603.db2.gz VEHGAYIGCRZRRJ-UHFFFAOYSA-N 0 1 376.478 3.123 20 0 GGADMN Cc1noc(C[C@H](NCc2ccc3c(c2)CCC(=O)N3C)c2ccccc2)n1 ZINC000277653684 1435319393 /nfs/dbraw/zinc/31/93/93/1435319393.db2.gz NCJVKEVYRMSKDJ-IBGZPJMESA-N 0 1 376.460 3.361 20 0 GGADMN CCC1CCC2(CC1)NC(=O)N(C1CCN([C@@H](C)c3ccncc3)CC1)C2=O ZINC000277660438 1435320022 /nfs/dbraw/zinc/32/00/22/1435320022.db2.gz MVFJXSIHOLOKHA-YPHUNTSASA-N 0 1 384.524 3.498 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)[C@@H](c3ccccc3)N(C)C2=O)CC1 ZINC000277662230 1435320161 /nfs/dbraw/zinc/32/01/61/1435320161.db2.gz NADMRASKVAMYTM-OXJNMPFZSA-N 0 1 378.476 3.242 20 0 GGADMN Cc1c(-c2cc(CN(C[C@H](O)COc3ccccc3)C(C)C)on2)cnn1C ZINC000277702715 1435323149 /nfs/dbraw/zinc/32/31/49/1435323149.db2.gz DKXFYHNOIGHYLC-KRWDZBQOSA-N 0 1 384.480 3.034 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)n[nH]1 ZINC000277718436 1435324235 /nfs/dbraw/zinc/32/42/35/1435324235.db2.gz FQBRAATVLORGHL-GXTWGEPZSA-N 0 1 394.479 3.181 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277728267 1435325223 /nfs/dbraw/zinc/32/52/23/1435325223.db2.gz YXBLOCDYZAFVJU-UHFFFAOYSA-N 0 1 390.365 3.101 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(-c3nnc(COC)o3)c2)n[nH]1 ZINC000277738314 1435325792 /nfs/dbraw/zinc/32/57/92/1435325792.db2.gz GTOFGDMBWNUSST-NWDGAFQWSA-N 0 1 384.440 3.006 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277743135 1435326381 /nfs/dbraw/zinc/32/63/81/1435326381.db2.gz HBPJAWHXFFTEGQ-ZOBUZTSGSA-N 0 1 385.512 3.023 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277743124 1435326411 /nfs/dbraw/zinc/32/64/11/1435326411.db2.gz HBPJAWHXFFTEGQ-UXLLHSPISA-N 0 1 385.512 3.023 20 0 GGADMN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277743129 1435326423 /nfs/dbraw/zinc/32/64/23/1435326423.db2.gz HBPJAWHXFFTEGQ-VYDXJSESSA-N 0 1 385.512 3.023 20 0 GGADMN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000277747159 1435326536 /nfs/dbraw/zinc/32/65/36/1435326536.db2.gz RGIGLBFPKWHVLR-QGZVFWFLSA-N 0 1 378.411 3.444 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277746906 1435326571 /nfs/dbraw/zinc/32/65/71/1435326571.db2.gz LFDKFMUTBBHPJB-AEFFLSMTSA-N 0 1 396.409 3.345 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CSCC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000277752876 1435327238 /nfs/dbraw/zinc/32/72/38/1435327238.db2.gz HTSULGFVNZUAIG-KBPBESRZSA-N 0 1 389.525 3.176 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2ccc(OC)c(OC)c2OC)n[nH]1 ZINC000277778244 1435329241 /nfs/dbraw/zinc/32/92/41/1435329241.db2.gz JDRNBOOLJYBBRG-OLZOCXBDSA-N 0 1 390.484 3.154 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2ccc(OC)c(OC)c2OC)n[nH]1 ZINC000277778243 1435329251 /nfs/dbraw/zinc/32/92/51/1435329251.db2.gz JDRNBOOLJYBBRG-CHWSQXEVSA-N 0 1 390.484 3.154 20 0 GGADMN C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277784732 1435330160 /nfs/dbraw/zinc/33/01/60/1435330160.db2.gz OANQKABHMGOTSV-OWQGQXMQSA-N 0 1 386.883 3.497 20 0 GGADMN COc1cc(CN[C@H](Cc2nc(C)no2)c2ccccc2)cc(OC)c1OC ZINC000277785805 1435330167 /nfs/dbraw/zinc/33/01/67/1435330167.db2.gz ZRUHKYIAQZBIKN-QGZVFWFLSA-N 0 1 383.448 3.477 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000277793696 1435331053 /nfs/dbraw/zinc/33/10/53/1435331053.db2.gz NLLBEZIQNZMWEE-UHFFFAOYSA-N 0 1 388.899 3.207 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000277802506 1435332027 /nfs/dbraw/zinc/33/20/27/1435332027.db2.gz KSFRMNMBODQHQH-NWDGAFQWSA-N 0 1 397.435 3.235 20 0 GGADMN c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CNCc1ccc2c(n1)CCCC2 ZINC000277809517 1435332703 /nfs/dbraw/zinc/33/27/03/1435332703.db2.gz YOXBSDMLRUKOSI-UHFFFAOYSA-N 0 1 376.460 3.412 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)n[nH]1 ZINC000277814676 1435333029 /nfs/dbraw/zinc/33/30/29/1435333029.db2.gz LHJYUMLRCCKSGQ-CABCVRRESA-N 0 1 383.496 3.392 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n[nH]1 ZINC000277820634 1435333549 /nfs/dbraw/zinc/33/35/49/1435333549.db2.gz LPFMIGLXRKKJIK-SMDDNHRTSA-N 0 1 383.500 3.096 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2c(C)nc3cc(C)nn3c2C)n[nH]1 ZINC000277820623 1435333588 /nfs/dbraw/zinc/33/35/88/1435333588.db2.gz LPFMIGLXRKKJIK-BXUZGUMPSA-N 0 1 383.500 3.096 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)n[nH]1 ZINC000277820707 1435333657 /nfs/dbraw/zinc/33/36/57/1435333657.db2.gz LRRNPKZTJQHGRY-LYOVBCGYSA-N 0 1 393.438 3.041 20 0 GGADMN CCN(Cc1nncn1-c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000277830819 1435334322 /nfs/dbraw/zinc/33/43/22/1435334322.db2.gz WELFCPMRIUGUIB-UHFFFAOYSA-N 0 1 376.508 3.401 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000277860549 1435336904 /nfs/dbraw/zinc/33/69/04/1435336904.db2.gz OARRRRKUBXLVDC-COPLHBTASA-N 0 1 384.402 3.118 20 0 GGADMN CCc1nc(COc2ccc(C(=O)N[C@H](C)c3n[nH]c([C@@H](C)CC)n3)cc2)no1 ZINC000277868577 1435337822 /nfs/dbraw/zinc/33/78/22/1435337822.db2.gz OLUACXDHCHSZCV-QWHCGFSZSA-N 0 1 398.467 3.334 20 0 GGADMN O=C(c1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1)N1CCCCC1 ZINC000277900860 1435340748 /nfs/dbraw/zinc/34/07/48/1435340748.db2.gz WSXDARPVDLDELT-QZTJIDSGSA-N 0 1 384.442 3.448 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)n[nH]1 ZINC000277926055 1435342875 /nfs/dbraw/zinc/34/28/75/1435342875.db2.gz RQQXCUAFDFVJLI-BPUTZDHNSA-N 0 1 386.496 3.485 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CN(Cc1cccs1)Cc1ccccc1OC ZINC000277973405 1435347206 /nfs/dbraw/zinc/34/72/06/1435347206.db2.gz APWVXQSSIKULOR-WMZOPIPTSA-N 0 1 379.522 3.171 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)n[nH]1 ZINC000277984564 1435347752 /nfs/dbraw/zinc/34/77/52/1435347752.db2.gz VYBKWZRCRSCLDN-ZOWXZIJZSA-N 0 1 388.493 3.217 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)n[nH]1 ZINC000278018615 1435350651 /nfs/dbraw/zinc/35/06/51/1435350651.db2.gz XVECARJWWXTJFR-AVGNSLFASA-N 0 1 390.509 3.463 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)n[nH]1 ZINC000278018617 1435350670 /nfs/dbraw/zinc/35/06/70/1435350670.db2.gz XVECARJWWXTJFR-XQQFMLRXSA-N 0 1 390.509 3.463 20 0 GGADMN C[C@H]1C(=O)N([C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C(=O)N1C1CC1 ZINC000278019831 1435350934 /nfs/dbraw/zinc/35/09/34/1435350934.db2.gz VCYCIRLMVSPRBD-BLLLJJGKSA-N 0 1 381.398 3.095 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2COC)n[nH]1 ZINC000278025826 1435351377 /nfs/dbraw/zinc/35/13/77/1435351377.db2.gz YJAPZMMFNUVVGP-UONOGXRCSA-N 0 1 382.468 3.141 20 0 GGADMN Cc1cnccc1OC1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000278046465 1435353581 /nfs/dbraw/zinc/35/35/81/1435353581.db2.gz SQLDKIVMMOIBTM-SFHVURJKSA-N 0 1 388.537 3.307 20 0 GGADMN C[C@@H](c1nc(-c2cc(C(N)=O)c[nH]2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000278095435 1435358902 /nfs/dbraw/zinc/35/89/02/1435358902.db2.gz OWZWRQGSDDJNNE-AWEZNQCLSA-N 0 1 379.464 3.179 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278104467 1435359864 /nfs/dbraw/zinc/35/98/64/1435359864.db2.gz ZAFGULJTVHUQNQ-YPMHNXCESA-N 0 1 396.417 3.129 20 0 GGADMN COc1cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1OC(=O)C1CC1 ZINC000278116525 1435361076 /nfs/dbraw/zinc/36/10/76/1435361076.db2.gz AOEGPSSWIKVDSL-RHSMWYFYSA-N 0 1 387.398 3.146 20 0 GGADMN COc1ccc(NC(=O)Cc2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)cc1OC ZINC000278123155 1435361695 /nfs/dbraw/zinc/36/16/95/1435361695.db2.gz RDAKENBMIUYMCM-MCIONIFRSA-N 0 1 388.468 3.202 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2cc(-n3c(O)c(CC(F)(F)F)[nH]c3=O)ccc21 ZINC000278121354 1435361887 /nfs/dbraw/zinc/36/18/87/1435361887.db2.gz MCWUKNCPMYBJLF-GFCCVEGCSA-N 0 1 399.369 3.361 20 0 GGADMN Cc1cnc(C2CCN(C(=O)c3ccc4c(=O)[nH]c(=S)[nH]c4c3)CC2)s1 ZINC000278166886 1435365648 /nfs/dbraw/zinc/36/56/48/1435365648.db2.gz OUHPMBBIYHRLJZ-UHFFFAOYSA-N 0 1 386.502 3.409 20 0 GGADMN COc1cc(SC)ccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000278178346 1435366761 /nfs/dbraw/zinc/36/67/61/1435366761.db2.gz SQASUUXBEJRIIS-UHFFFAOYSA-N 0 1 392.502 3.127 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC(Oc4ccncc4C)CC3)n[nH]2)cc1 ZINC000278189670 1435367772 /nfs/dbraw/zinc/36/77/72/1435367772.db2.gz BUGXSTMZKMOPOB-UHFFFAOYSA-N 0 1 392.459 3.472 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)CCN1C(=O)OC(C)(C)C ZINC000278221289 1435370904 /nfs/dbraw/zinc/37/09/04/1435370904.db2.gz DVJDYZOGHJERDB-KBPBESRZSA-N 0 1 385.464 3.458 20 0 GGADMN CCn1cc(-c2nn(C)cc2C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cn1 ZINC000278242517 1435372946 /nfs/dbraw/zinc/37/29/46/1435372946.db2.gz LNNCPSRSXJULLW-UHFFFAOYSA-N 0 1 379.424 3.156 20 0 GGADMN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@](C)(N)c2ccccc2)c2ccc(Cl)cc21 ZINC000278247059 1435373215 /nfs/dbraw/zinc/37/32/15/1435373215.db2.gz MGVBBINHXSMJKB-SPLOXXLWSA-N 0 1 385.895 3.123 20 0 GGADMN Cc1cnccc1OC1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000278287258 1435376422 /nfs/dbraw/zinc/37/64/22/1435376422.db2.gz ZNFZJQWPMTYHLK-LJQANCHMSA-N 0 1 398.507 3.373 20 0 GGADMN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278306051 1435378151 /nfs/dbraw/zinc/37/81/51/1435378151.db2.gz CEWSYNTXUNQHRH-NWDGAFQWSA-N 0 1 388.434 3.075 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3CN3CCOCC3)c2C)o1 ZINC000278310424 1435378603 /nfs/dbraw/zinc/37/86/03/1435378603.db2.gz SVFFOQABFKHGHG-UHFFFAOYSA-N 0 1 380.448 3.371 20 0 GGADMN COc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1-c1ccccn1 ZINC000278312705 1435378772 /nfs/dbraw/zinc/37/87/72/1435378772.db2.gz DGNHHJJFRJPISP-QGZVFWFLSA-N 0 1 395.503 3.083 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3OCC(=O)N(C)C)c2C)o1 ZINC000278330220 1435380751 /nfs/dbraw/zinc/38/07/51/1435380751.db2.gz WBFHHQNDYGJWJS-UHFFFAOYSA-N 0 1 382.420 3.006 20 0 GGADMN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C[C@H](O)CO[C@H](C)COC ZINC000278348917 1435382443 /nfs/dbraw/zinc/38/24/43/1435382443.db2.gz MMBLZZWOEONQNP-CABCVRRESA-N 0 1 397.903 3.014 20 0 GGADMN Cc1nn(CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1-c1ccccc1 ZINC000278353394 1435383076 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C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000279256673 1435478261 /nfs/dbraw/zinc/47/82/61/1435478261.db2.gz WJQBFWCWTRXISF-CQSZACIVSA-N 0 1 389.883 3.320 20 0 GGADMN C[C@H]1CCSCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279292894 1435482807 /nfs/dbraw/zinc/48/28/07/1435482807.db2.gz KMFYMGSMBLHMDE-KBPBESRZSA-N 0 1 394.541 3.102 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1nc(CC)cs1 ZINC000279311316 1435485241 /nfs/dbraw/zinc/48/52/41/1435485241.db2.gz AVVUHRUVBIICFV-UHFFFAOYSA-N 0 1 388.537 3.037 20 0 GGADMN O=C(c1cncc([O-])c1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279324955 1435486634 /nfs/dbraw/zinc/48/66/34/1435486634.db2.gz CFPUOYXEBMUQJK-MRXNPFEDSA-N 0 1 393.409 3.314 20 0 GGADMN O=C(c1cncc([O-])c1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279324955 1435486636 /nfs/dbraw/zinc/48/66/36/1435486636.db2.gz CFPUOYXEBMUQJK-MRXNPFEDSA-N 0 1 393.409 3.314 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CN3CCc4ccccc4C3=O)[nH]c2c1 ZINC000279340360 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0 1 396.534 3.057 20 0 GGADMN CCC(=O)c1ccc(Cl)c(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000279772138 1435540962 /nfs/dbraw/zinc/54/09/62/1435540962.db2.gz WQIOKCNGIADZQG-UHFFFAOYSA-N 0 1 386.839 3.067 20 0 GGADMN COc1ccc(F)c2[nH]c(C(=O)NC3CCN(Cc4ccncc4)CC3)cc21 ZINC000279783089 1435542600 /nfs/dbraw/zinc/54/26/00/1435542600.db2.gz CBMGXIMYJALQKM-UHFFFAOYSA-N 0 1 382.439 3.105 20 0 GGADMN C[C@@H]1c2cccn2CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279796944 1435544467 /nfs/dbraw/zinc/54/44/67/1435544467.db2.gz VSIRHRLTKSRKPH-HUUCEWRRSA-N 0 1 399.495 3.153 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(Cl)ccc2OCc2cccnc2)CCC1 ZINC000279806410 1435545650 /nfs/dbraw/zinc/54/56/50/1435545650.db2.gz OCNSHPPVXJBYQI-UHFFFAOYSA-N 0 1 394.924 3.371 20 0 GGADMN CSC[C@@H]1CCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279814514 1435546727 /nfs/dbraw/zinc/54/67/27/1435546727.db2.gz JQDLWTVZEBBWMK-KBPBESRZSA-N 0 1 394.541 3.102 20 0 GGADMN C[C@H]1OCC[C@]12C[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829221 1435547961 /nfs/dbraw/zinc/54/79/61/1435547961.db2.gz QZBUQLGJKXTMCL-LPMFXHHGSA-N 0 1 377.872 3.201 20 0 GGADMN C[C@H]1OCC[C@]12CN(CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829221 1435547963 /nfs/dbraw/zinc/54/79/63/1435547963.db2.gz QZBUQLGJKXTMCL-LPMFXHHGSA-N 0 1 377.872 3.201 20 0 GGADMN CS(=O)(=O)C1(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000279826771 1435548018 /nfs/dbraw/zinc/54/80/18/1435548018.db2.gz PXUPSRXUOVLZQN-UHFFFAOYSA-N 0 1 399.491 3.345 20 0 GGADMN COCCN(C)c1ccc(CN2CCC(O)(Cc3cccc(C)c3)CC2)cn1 ZINC000279862087 1435554181 /nfs/dbraw/zinc/55/41/81/1435554181.db2.gz SNKYTFXEERPMPW-UHFFFAOYSA-N 0 1 383.536 3.042 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1)c1ccccc1 ZINC000279876596 1435556669 /nfs/dbraw/zinc/55/66/69/1435556669.db2.gz DGQJBIWEROHUHM-HXUWFJFHSA-N 0 1 394.475 3.073 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cc([C@H]4CCCOC4)[nH]n3)[nH]2)c1 ZINC000279910364 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GGADMN CC(=O)c1cccc(OC[C@H](O)CN2CCC(O)(Cc3cccc(C)c3)CC2)c1 ZINC000280495963 1435669630 /nfs/dbraw/zinc/66/96/30/1435669630.db2.gz MOQPSNJOCAVRGV-JOCHJYFZSA-N 0 1 397.515 3.007 20 0 GGADMN C[C@@H]1OCC[C@]12CN(CCC(=O)NC(c1ccccc1)c1ccccc1)CCO2 ZINC000280504521 1435670855 /nfs/dbraw/zinc/67/08/55/1435670855.db2.gz RAHMXVLHCRIXLJ-CYFREDJKSA-N 0 1 394.515 3.162 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000280516719 1435672210 /nfs/dbraw/zinc/67/22/10/1435672210.db2.gz DLZBJMOGYPUWPW-QAQDUYKDSA-N 0 1 376.522 3.153 20 0 GGADMN C[C@@H]1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C[C@]2(CCOC2)O1 ZINC000280515334 1435672312 /nfs/dbraw/zinc/67/23/12/1435672312.db2.gz LSLPDCKGECAJIW-XCLFUZPHSA-N 0 1 383.473 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)n[nH]1 ZINC000280522112 1435672860 /nfs/dbraw/zinc/67/28/60/1435672860.db2.gz ODOHURQYLPXTIE-NWDGAFQWSA-N 0 1 388.472 3.087 20 0 GGADMN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 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SKFRWBITANAZPL-NTKDMRAZSA-N 0 1 394.515 3.339 20 0 GGADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000280665267 1435700123 /nfs/dbraw/zinc/70/01/23/1435700123.db2.gz FTGVNGZBWBPWQV-UHFFFAOYSA-N 0 1 390.369 3.331 20 0 GGADMN Cc1cc(-c2noc([C@@H](C)N[C@@H](C)C3CCS(=O)(=O)CC3)n2)ccc1F ZINC000280672775 1435701399 /nfs/dbraw/zinc/70/13/99/1435701399.db2.gz UKBRDJLWQGTZLA-QWHCGFSZSA-N 0 1 381.473 3.048 20 0 GGADMN C[C@@H]1C[NH+](CCC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)C[C@@H](C)O1 ZINC000280719554 1435709230 /nfs/dbraw/zinc/70/92/30/1435709230.db2.gz CAFMTZLFTBFRIY-ZIAGYGMSSA-N 0 1 382.451 3.022 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)c2ccc(F)cc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280724289 1435709703 /nfs/dbraw/zinc/70/97/03/1435709703.db2.gz FYXOSKRWHQORPK-ZNZDAUKMSA-N 0 1 383.460 3.071 20 0 GGADMN O=C(Cn1ccc2ccccc2c1=O)Nc1cccc(CN2CCSCC2)c1 ZINC000280723674 1435710004 /nfs/dbraw/zinc/71/00/04/1435710004.db2.gz UQKPJOSSMRQCMX-UHFFFAOYSA-N 0 1 393.512 3.189 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(N3CCOCC3)ccc2C)n[nH]1 ZINC000280729390 1435710861 /nfs/dbraw/zinc/71/08/61/1435710861.db2.gz KJPCEZOECCCMFO-DZGCQCFKSA-N 0 1 386.500 3.346 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c(F)ccc(O)c3F)cc2)C[C@@H](C)O1 ZINC000280750746 1435714016 /nfs/dbraw/zinc/71/40/16/1435714016.db2.gz KMFOYCOECZSWRS-ZIAGYGMSSA-N 0 1 390.430 3.210 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC[C@](C)(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000280773591 1435717699 /nfs/dbraw/zinc/71/76/99/1435717699.db2.gz DNLAJVDVKLETGT-BPAFIMBUSA-N 0 1 397.922 3.418 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC[C@](C)(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000280773597 1435717942 /nfs/dbraw/zinc/71/79/42/1435717942.db2.gz DNLAJVDVKLETGT-ZTNFWEORSA-N 0 1 397.922 3.418 20 0 GGADMN CCCCS[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000280781426 1435719634 /nfs/dbraw/zinc/71/96/34/1435719634.db2.gz KBMPIDWZWIREBY-ZDUSSCGKSA-N 0 1 394.522 3.138 20 0 GGADMN CC(=O)N1CCC[C@@H](CNC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000280823070 1435726580 /nfs/dbraw/zinc/72/65/80/1435726580.db2.gz RNYPWANRIPSDFS-QFIPXVFZSA-N 0 1 393.531 3.307 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)cc1 ZINC000280825135 1435727028 /nfs/dbraw/zinc/72/70/28/1435727028.db2.gz XATPJOZHOGYJIW-QRWLVFNGSA-N 0 1 385.895 3.257 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)n[nH]1 ZINC000280838077 1435728848 /nfs/dbraw/zinc/72/88/48/1435728848.db2.gz PXUAMOCIWJAWET-CZUORRHYSA-N 0 1 387.484 3.119 20 0 GGADMN O=C(CO[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000280844892 1435730199 /nfs/dbraw/zinc/73/01/99/1435730199.db2.gz QVLUUIZCDLKPHQ-MJGOQNOKSA-N 0 1 380.492 3.482 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)C1CCN(CC(F)F)CC1 ZINC000280860666 1435731837 /nfs/dbraw/zinc/73/18/37/1435731837.db2.gz XAABQJJOLYNZEA-UHFFFAOYSA-N 0 1 383.508 3.151 20 0 GGADMN Cn1ncc2c1C[C@@H](C(=O)N1CCN(Cc3cccc4ccccc43)CC1)CC2 ZINC000280889797 1435737026 /nfs/dbraw/zinc/73/70/26/1435737026.db2.gz CVSUXFZACAIIGT-IBGZPJMESA-N 0 1 388.515 3.023 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000280894202 1435737669 /nfs/dbraw/zinc/73/76/69/1435737669.db2.gz BYWMSCZBQAQPBH-BTDLBPIBSA-N 0 1 388.798 3.067 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)Nc2ccc(F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280896315 1435738214 /nfs/dbraw/zinc/73/82/14/1435738214.db2.gz QNLIBMHGDMVCFA-QRWLVFNGSA-N 0 1 392.496 3.227 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCN2CC=CCC2)c2ccc(F)cc2)c1 ZINC000280913890 1435741311 /nfs/dbraw/zinc/74/13/11/1435741311.db2.gz GSUKGLROXMAUFD-NRFANRHFSA-N 0 1 388.508 3.170 20 0 GGADMN CC[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280921592 1435742374 /nfs/dbraw/zinc/74/23/74/1435742374.db2.gz RELSPEYNHRNZDL-QZTJIDSGSA-N 0 1 396.940 3.413 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000280947321 1435746236 /nfs/dbraw/zinc/74/62/36/1435746236.db2.gz JEDCPSHECRPUCS-MUUNZHRXSA-N 0 1 397.504 3.008 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)Nc2cccc(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280951805 1435746820 /nfs/dbraw/zinc/74/68/20/1435746820.db2.gz XQAVPCOHFVNXHA-FOIQADDNSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC000280965363 1435748660 /nfs/dbraw/zinc/74/86/60/1435748660.db2.gz KMLZGNVZIVBDGZ-QTUASDBPSA-N 0 1 379.570 3.322 20 0 GGADMN Cc1ccccc1-n1nccc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000280967234 1435749189 /nfs/dbraw/zinc/74/91/89/1435749189.db2.gz SSKKVVNNWMLMDN-UHFFFAOYSA-N 0 1 378.476 3.423 20 0 GGADMN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(=O)oc3cc([O-])c(Cl)cc23)cc1 ZINC000280974149 1435749776 /nfs/dbraw/zinc/74/97/76/1435749776.db2.gz KSVBIBGXSNIXJQ-QGZVFWFLSA-N 0 1 389.835 3.326 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)C1CCN(CC(F)F)CC1 ZINC000280980860 1435750860 /nfs/dbraw/zinc/75/08/60/1435750860.db2.gz PMCIVXYBYBBEBS-UHFFFAOYSA-N 0 1 397.535 3.459 20 0 GGADMN CCCN(CCc1cccc(F)c1)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000280996981 1435753512 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CN(CCCOCc1ccccc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000281045526 1435762459 /nfs/dbraw/zinc/76/24/59/1435762459.db2.gz PXJQFENXBLGGBF-UHFFFAOYSA-N 0 1 396.535 3.294 20 0 GGADMN Cc1cc(=O)oc2cc(OCC[N@H+]3CC[C@H](OCc4ccncc4)C3)ccc12 ZINC000281047216 1435763211 /nfs/dbraw/zinc/76/32/11/1435763211.db2.gz QLFUPIZIFOZXCH-IBGZPJMESA-N 0 1 380.444 3.166 20 0 GGADMN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(=O)oc4cc([O-])c(Cl)cc34)C2)n1 ZINC000281054449 1435764015 /nfs/dbraw/zinc/76/40/15/1435764015.db2.gz RDNGIPSPIGYMFL-LLVKDONJSA-N 0 1 375.812 3.223 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)n[nH]1 ZINC000281074558 1435769106 /nfs/dbraw/zinc/76/91/06/1435769106.db2.gz QPROMMABLWUICX-GHMZBOCLSA-N 0 1 390.419 3.297 20 0 GGADMN CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCN2C2CCCCC2)c1 ZINC000281101459 1435774425 /nfs/dbraw/zinc/77/44/25/1435774425.db2.gz VKNWIVJFGGONGF-HNNXBMFYSA-N 0 1 398.956 3.270 20 0 GGADMN CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCCN2C2CCCCC2)c1 ZINC000281101466 1435774500 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MQVBGQCOCXZJTD-OALUTQOASA-N 0 1 388.508 3.012 20 0 GGADMN Cc1nn(C(C)C)cc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000281394788 1435807156 /nfs/dbraw/zinc/80/71/56/1435807156.db2.gz PGTDQSJRIGTLBZ-IAGOWNOFSA-N 0 1 384.524 3.312 20 0 GGADMN Cc1nn(C(C)C)cc1CNCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000281394795 1435807168 /nfs/dbraw/zinc/80/71/68/1435807168.db2.gz PGTDQSJRIGTLBZ-IRXDYDNUSA-N 0 1 384.524 3.312 20 0 GGADMN COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)on1 ZINC000281401441 1435807391 /nfs/dbraw/zinc/80/73/91/1435807391.db2.gz QMUUGBBNGYSYGM-QAPCUYQASA-N 0 1 393.443 3.434 20 0 GGADMN O=C(Nc1cc(F)c(F)cc1F)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281408502 1435807633 /nfs/dbraw/zinc/80/76/33/1435807633.db2.gz PLLUJOUTHDCRFB-UHFFFAOYSA-N 0 1 383.292 3.026 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)N2CCC(CNC(=O)C(F)(F)F)CC2)c(C)c1 ZINC000281412285 1435807950 /nfs/dbraw/zinc/80/79/50/1435807950.db2.gz RFTJZWQJBZSAAL-AWEZNQCLSA-N 0 1 385.430 3.021 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000281425713 1435808423 /nfs/dbraw/zinc/80/84/23/1435808423.db2.gz YKNIKKVUBFXEEZ-OAHLLOKOSA-N 0 1 393.553 3.183 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000281453894 1435809536 /nfs/dbraw/zinc/80/95/36/1435809536.db2.gz BNHDNIJTKXJOEF-UHFFFAOYSA-N 0 1 384.867 3.230 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000281471806 1435810251 /nfs/dbraw/zinc/81/02/51/1435810251.db2.gz SFWPKRVKWFWFTK-SFHVURJKSA-N 0 1 384.455 3.185 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000281471803 1435810276 /nfs/dbraw/zinc/81/02/76/1435810276.db2.gz SFWPKRVKWFWFTK-GOSISDBHSA-N 0 1 384.455 3.185 20 0 GGADMN CCn1ncc2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)c(C)nc21 ZINC000281557114 1435813443 /nfs/dbraw/zinc/81/34/43/1435813443.db2.gz AQVUWOZLDDZOEI-SFHVURJKSA-N 0 1 381.480 3.228 20 0 GGADMN CO[C@@H]1CCN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000281614662 1435815678 /nfs/dbraw/zinc/81/56/78/1435815678.db2.gz HBGSXBWSAONWAV-LXGFNABISA-N 0 1 389.540 3.005 20 0 GGADMN CO[C@@H]1CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000281614667 1435815757 /nfs/dbraw/zinc/81/57/57/1435815757.db2.gz HBGSXBWSAONWAV-RYLXDESZSA-N 0 1 389.540 3.005 20 0 GGADMN OC[C@]1(NCc2ccc(OCc3ccncc3)cc2)CCOc2ccccc21 ZINC000281633920 1435816465 /nfs/dbraw/zinc/81/64/65/1435816465.db2.gz IMAYQMVXANWMDJ-HSZRJFAPSA-N 0 1 376.456 3.421 20 0 GGADMN C[C@H](OC[C@H](O)CN[C@@]1(CO)CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000281659581 1435817372 /nfs/dbraw/zinc/81/73/72/1435817372.db2.gz KPQUZDUBKLGEIY-RRMPHLOHSA-N 0 1 391.895 3.038 20 0 GGADMN C[C@H](OC[C@H](O)CN[C@]1(CO)CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000281659578 1435817380 /nfs/dbraw/zinc/81/73/80/1435817380.db2.gz KPQUZDUBKLGEIY-KLHJMIIUSA-N 0 1 391.895 3.038 20 0 GGADMN C[C@H](OC[C@@H](O)CN[C@]1(CO)CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000281659587 1435817415 /nfs/dbraw/zinc/81/74/15/1435817415.db2.gz KPQUZDUBKLGEIY-XERREHJYSA-N 0 1 391.895 3.038 20 0 GGADMN CN1CC[C@H](CNC(=O)Cc2ncccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000281661842 1435817493 /nfs/dbraw/zinc/81/74/93/1435817493.db2.gz SKTPRGCVRGKNOA-BFUOFWGJSA-N 0 1 379.838 3.365 20 0 GGADMN CSc1ccccc1[C@H](C)NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000281671192 1435817935 /nfs/dbraw/zinc/81/79/35/1435817935.db2.gz LPGDROBJYJJVAI-INIZCTEOSA-N 0 1 391.581 3.165 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281674919 1435818162 /nfs/dbraw/zinc/81/81/62/1435818162.db2.gz KDNGDJVWROOTDO-GOSISDBHSA-N 0 1 378.432 3.042 20 0 GGADMN CCOCC1(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000281724598 1435819613 /nfs/dbraw/zinc/81/96/13/1435819613.db2.gz VQRSIYFLUCKUPZ-UHFFFAOYSA-N 0 1 394.519 3.159 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1C ZINC000281736225 1435819982 /nfs/dbraw/zinc/81/99/82/1435819982.db2.gz KBWIEZUHZNTJOK-UHFFFAOYSA-N 0 1 396.491 3.173 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2SC)CC1 ZINC000281747795 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/nfs/dbraw/zinc/83/43/32/1435834332.db2.gz CZPDAAKDTOSTPU-SFHVURJKSA-N 0 1 379.508 3.374 20 0 GGADMN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)O1 ZINC000282108325 1435834974 /nfs/dbraw/zinc/83/49/74/1435834974.db2.gz JRXILOUHJWPDMD-OGHNNQOOSA-N 0 1 385.430 3.209 20 0 GGADMN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)O1 ZINC000282108321 1435834982 /nfs/dbraw/zinc/83/49/82/1435834982.db2.gz JRXILOUHJWPDMD-AHIWAGSCSA-N 0 1 385.430 3.209 20 0 GGADMN C[C@@](O)(CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1)C(F)(F)F ZINC000282122696 1435835590 /nfs/dbraw/zinc/83/55/90/1435835590.db2.gz XXLUFZYDZLSSLJ-IINYFYTJSA-N 0 1 396.335 3.241 20 0 GGADMN CC[C@](O)(C(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000282148629 1435836396 /nfs/dbraw/zinc/83/63/96/1435836396.db2.gz SODAQJCKGCBGBW-OAQYLSRUSA-N 0 1 387.911 3.113 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1C ZINC000282206092 1435838411 /nfs/dbraw/zinc/83/84/11/1435838411.db2.gz FUEAJMDTFMECIY-UHFFFAOYSA-N 0 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ZINC000282622537 1435854058 /nfs/dbraw/zinc/85/40/58/1435854058.db2.gz AGTYZWKVVUWJAT-SFHVURJKSA-N 0 1 384.549 3.044 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)cc2)cs1 ZINC000282670162 1435855841 /nfs/dbraw/zinc/85/58/41/1435855841.db2.gz KKALVYQIUGKOMF-OAHLLOKOSA-N 0 1 385.533 3.444 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc(C)nc1C1CC1 ZINC000282670736 1435855866 /nfs/dbraw/zinc/85/58/66/1435855866.db2.gz QKIGZPISDPAZQR-UHFFFAOYSA-N 0 1 395.507 3.065 20 0 GGADMN CCOC(=O)[C@H]1CC[C@H](NCc2cccnc2OCCOC)c2ccccc21 ZINC000282681482 1435856244 /nfs/dbraw/zinc/85/62/44/1435856244.db2.gz AACOCZOUODLOMQ-PMACEKPBSA-N 0 1 384.476 3.378 20 0 GGADMN CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccn(C(C)C)n3)c2C1 ZINC000282708123 1435857291 /nfs/dbraw/zinc/85/72/91/1435857291.db2.gz AIOPPKIPUSEWFP-HNNXBMFYSA-N 0 1 383.496 3.401 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3ccn(C(C)C)n3)c2C1 ZINC000282708123 1435857292 /nfs/dbraw/zinc/85/72/92/1435857292.db2.gz AIOPPKIPUSEWFP-HNNXBMFYSA-N 0 1 383.496 3.401 20 0 GGADMN Cc1nc2cccc(C(=O)N[C@H](c3ccc(C)cc3)[C@@H](C)S(C)(=O)=O)c2[nH]1 ZINC000282718101 1435857763 /nfs/dbraw/zinc/85/77/63/1435857763.db2.gz HGWBBFVYNUTHOV-ACJLOTCBSA-N 0 1 385.489 3.084 20 0 GGADMN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282729956 1435858172 /nfs/dbraw/zinc/85/81/72/1435858172.db2.gz DLZWFKCSUUSJPQ-OAHLLOKOSA-N 0 1 395.290 3.054 20 0 GGADMN CC(C)COCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000282769456 1435859615 /nfs/dbraw/zinc/85/96/15/1435859615.db2.gz USZMMWLIKOQPAA-UHFFFAOYSA-N 0 1 378.542 3.021 20 0 GGADMN Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000282784490 1435860194 /nfs/dbraw/zinc/86/01/94/1435860194.db2.gz LFVQDATWGYIFCM-OAHLLOKOSA-N 0 1 395.290 3.054 20 0 GGADMN CC(C)(C)[S@@](=O)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282787567 1435860324 /nfs/dbraw/zinc/86/03/24/1435860324.db2.gz PJDAPKVNXLTMNT-MYUZEXMDSA-N 0 1 393.597 3.134 20 0 GGADMN CC(C)(C)[S@@](=O)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282787567 1435860325 /nfs/dbraw/zinc/86/03/25/1435860325.db2.gz PJDAPKVNXLTMNT-MYUZEXMDSA-N 0 1 393.597 3.134 20 0 GGADMN CC(C)(C)[S@](=O)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282789261 1435860466 /nfs/dbraw/zinc/86/04/66/1435860466.db2.gz PJDAPKVNXLTMNT-XRHLQHRESA-N 0 1 393.597 3.134 20 0 GGADMN Cc1noc(C)c1CN1CCN(Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000282794066 1435860503 /nfs/dbraw/zinc/86/05/03/1435860503.db2.gz MJAAZHKOHCOHKP-UHFFFAOYSA-N 0 1 379.508 3.318 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4CCc5cnn(C)c5C4)C3)[nH]c2c1 ZINC000282818706 1435861585 /nfs/dbraw/zinc/86/15/85/1435861585.db2.gz RNHVPEWHDGVLDC-WBVHZDCISA-N 0 1 377.492 3.116 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)NCC1([S@@](C)=O)CC1)C1CCCCC1 ZINC000282848170 1435862821 /nfs/dbraw/zinc/86/28/21/1435862821.db2.gz WSIQRCHLRKDQNO-AREMUKBSSA-N 0 1 377.554 3.484 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000282854974 1435863172 /nfs/dbraw/zinc/86/31/72/1435863172.db2.gz TYFDOWQMGJZJKE-UHFFFAOYSA-N 0 1 381.455 3.462 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cn(C3CC3)c(C)cc2=O)N2CCCC2)cc1 ZINC000282912741 1435865833 /nfs/dbraw/zinc/86/58/33/1435865833.db2.gz DNSKEEOMPIWWTJ-OAQYLSRUSA-N 0 1 379.504 3.367 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cn(C3CC3)c(C)cc2=O)N2CCCC2)cc1 ZINC000282912731 1435865861 /nfs/dbraw/zinc/86/58/61/1435865861.db2.gz DNSKEEOMPIWWTJ-NRFANRHFSA-N 0 1 379.504 3.367 20 0 GGADMN Cc1cc(C)cc([C@H](O)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000282927770 1435866398 /nfs/dbraw/zinc/86/63/98/1435866398.db2.gz ZRJWKKATNDTCHE-PGRDOPGGSA-N 0 1 396.535 3.257 20 0 GGADMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1ccccc1F ZINC000282959463 1435867723 /nfs/dbraw/zinc/86/77/23/1435867723.db2.gz CMJKTGOSSHAFJV-CABCVRRESA-N 0 1 377.423 3.410 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)NCCF ZINC000282966422 1435868139 /nfs/dbraw/zinc/86/81/39/1435868139.db2.gz ZXLVUDZHRYFZIV-HOTGVXAUSA-N 0 1 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O=C(Nc1ccc(OC(F)F)cc1F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000283535199 1435894267 /nfs/dbraw/zinc/89/42/67/1435894267.db2.gz RREXFDYAGSMNJS-CYBMUJFWSA-N 0 1 387.402 3.003 20 0 GGADMN Cc1ccc(-c2nnc(N3CCN(C4CCC4)CC3)n2C[C@H]2CCOC2)s1 ZINC000283548043 1435894878 /nfs/dbraw/zinc/89/48/78/1435894878.db2.gz YHHVUIKMAGZICI-MRXNPFEDSA-N 0 1 387.553 3.026 20 0 GGADMN Cc1cc(=O)c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cn1C1CC1 ZINC000283572652 1435896061 /nfs/dbraw/zinc/89/60/61/1435896061.db2.gz WKGJCIFOLIAKSD-KRWDZBQOSA-N 0 1 379.504 3.228 20 0 GGADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283604471 1435897527 /nfs/dbraw/zinc/89/75/27/1435897527.db2.gz YOKPSRJTWUWWNZ-QGZVFWFLSA-N 0 1 395.532 3.002 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283604471 1435897528 /nfs/dbraw/zinc/89/75/28/1435897528.db2.gz YOKPSRJTWUWWNZ-QGZVFWFLSA-N 0 1 395.532 3.002 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2[nH]nc3ccccc32)C(C)(C)C1 ZINC000283606289 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1 375.513 3.358 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cn(C3CC3)c(C)cc2=O)N2CCCC2)cc1 ZINC000283734324 1435912917 /nfs/dbraw/zinc/91/29/17/1435912917.db2.gz OJLBCOILETZGDR-OAQYLSRUSA-N 0 1 395.503 3.067 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC2(CCOCC2)CC1 ZINC000283740254 1435914061 /nfs/dbraw/zinc/91/40/61/1435914061.db2.gz ALGASPREHINLIF-UHFFFAOYSA-N 0 1 386.540 3.171 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283782082 1435922843 /nfs/dbraw/zinc/92/28/43/1435922843.db2.gz NSORRABDDZXRTO-UHFFFAOYSA-N 0 1 395.381 3.310 20 0 GGADMN OC[C@@H](C[C@H](O)c1ccccc1)NCc1cnn(Cc2ccccc2)c1Cl ZINC000283829775 1435931641 /nfs/dbraw/zinc/93/16/41/1435931641.db2.gz GUEOQWNDDSRWJE-UXHICEINSA-N 0 1 385.895 3.159 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000283845490 1435935912 /nfs/dbraw/zinc/93/59/12/1435935912.db2.gz DCURYQBLSBSSDB-MRXNPFEDSA-N 0 1 396.413 3.257 20 0 GGADMN COc1ccc([C@H](CNC(=O)CSc2ncco2)N2CCCCC2)cc1 ZINC000283866382 1435940017 /nfs/dbraw/zinc/94/00/17/1435940017.db2.gz HUZBUYOXUYLTKK-KRWDZBQOSA-N 0 1 375.494 3.119 20 0 GGADMN Cc1cccc([C@H](O)CN(Cc2ccccc2)C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000283871170 1435940562 /nfs/dbraw/zinc/94/05/62/1435940562.db2.gz AEJXGFHNQQNSCA-RBBKRZOGSA-N 0 1 387.545 3.355 20 0 GGADMN Cc1cccc([C@H](O)CN(Cc2ccccc2)C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000283871153 1435941055 /nfs/dbraw/zinc/94/10/55/1435941055.db2.gz AEJXGFHNQQNSCA-IFMALSPDSA-N 0 1 387.545 3.355 20 0 GGADMN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000283915348 1435951957 /nfs/dbraw/zinc/95/19/57/1435951957.db2.gz LIOBYLFWNVBLSK-UHFFFAOYSA-N 0 1 397.866 3.368 20 0 GGADMN CCOc1cc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc(Cl)c1O ZINC000283919676 1435952929 /nfs/dbraw/zinc/95/29/29/1435952929.db2.gz HBDXMLQISAXSEG-YOEHRIQHSA-N 0 1 379.888 3.123 20 0 GGADMN CCc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000283920943 1435953671 /nfs/dbraw/zinc/95/36/71/1435953671.db2.gz PVKVFFYXJFTXSC-UHFFFAOYSA-N 0 1 396.896 3.414 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC2(CCOCC2)CC1 ZINC000283972703 1435964980 /nfs/dbraw/zinc/96/49/80/1435964980.db2.gz CIYUMUMWCBGSDB-KRWDZBQOSA-N 0 1 385.508 3.033 20 0 GGADMN O=C(NC[C@@H]1CCCN(C(=O)c2ccc3cncn3c2)C1)Nc1cccc(F)c1 ZINC000283976513 1435965811 /nfs/dbraw/zinc/96/58/11/1435965811.db2.gz OUHMVNUDDHHURK-HNNXBMFYSA-N 0 1 395.438 3.147 20 0 GGADMN O=C(C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000284012669 1435972707 /nfs/dbraw/zinc/97/27/07/1435972707.db2.gz HHPIBCJAUCHSGS-SFHVURJKSA-N 0 1 384.442 3.121 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc3c(c(OC)c2)OCO3)cc1 ZINC000284031589 1435976599 /nfs/dbraw/zinc/97/65/99/1435976599.db2.gz OFYIPRGKTFVSKP-ZDUSSCGKSA-N 0 1 377.462 3.068 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc3c(c(OC)c2)OCO3)cc1 ZINC000284031585 1435977140 /nfs/dbraw/zinc/97/71/40/1435977140.db2.gz OFYIPRGKTFVSKP-CYBMUJFWSA-N 0 1 377.462 3.068 20 0 GGADMN Cn1cc([C@H]2OCCC[C@@H]2NCc2cnn(Cc3ccccc3)c2Cl)cn1 ZINC000284046038 1435980625 /nfs/dbraw/zinc/98/06/25/1435980625.db2.gz SCBSUGYQACWRHG-RBUKOAKNSA-N 0 1 385.899 3.328 20 0 GGADMN COc1ccc([C@@H](NC[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)cc1 ZINC000284062763 1435983623 /nfs/dbraw/zinc/98/36/23/1435983623.db2.gz KDUXFCSHGRQKDR-YWZLYKJASA-N 0 1 377.481 3.338 20 0 GGADMN CN(CCO)Cc1cc(NCc2ccccc2N2CCOCC2)ccc1Cl ZINC000284072611 1435985656 /nfs/dbraw/zinc/98/56/56/1435985656.db2.gz OOROSQSEEVLKOX-UHFFFAOYSA-N 0 1 389.927 3.213 20 0 GGADMN O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccc2cncn2c1 ZINC000284087998 1435987722 /nfs/dbraw/zinc/98/77/22/1435987722.db2.gz FHQYSLANVQKYNM-UHFFFAOYSA-N 0 1 386.459 3.495 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3S(C)(=O)=O)[nH]c2c1 ZINC000284116993 1435993765 /nfs/dbraw/zinc/99/37/65/1435993765.db2.gz ZDLSJKCWTDSXAP-SFHVURJKSA-N 0 1 397.500 3.181 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(C(N)=O)c(N4CCCCC4)c3)c2[nH]1 ZINC000284121248 1435995027 /nfs/dbraw/zinc/99/50/27/1435995027.db2.gz UZOWRFCAFMAZKY-UHFFFAOYSA-N 0 1 377.448 3.213 20 0 GGADMN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000284126388 1435995720 /nfs/dbraw/zinc/99/57/20/1435995720.db2.gz VFIABGPLPGDVLA-KRWDZBQOSA-N 0 1 398.482 3.382 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc3[nH]c(C)nc32)cc1 ZINC000284148499 1435998928 /nfs/dbraw/zinc/99/89/28/1435998928.db2.gz WJZKQFRVQBCKQT-KRWDZBQOSA-N 0 1 396.472 3.034 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc3[nH]c(C)nc32)cc1 ZINC000284148500 1435999097 /nfs/dbraw/zinc/99/90/97/1435999097.db2.gz WJZKQFRVQBCKQT-QGZVFWFLSA-N 0 1 396.472 3.034 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3[C@H]3CCCO3)c2C1 ZINC000284180834 1436001941 /nfs/dbraw/zinc/00/19/41/1436001941.db2.gz GVCYUOOSRVLFGI-ORYQWCPZSA-N 0 1 399.535 3.155 20 0 GGADMN Cc1ccc(-c2cc(NC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[nH]n2)o1 ZINC000284245652 1436006655 /nfs/dbraw/zinc/00/66/55/1436006655.db2.gz GVBGBEJBEXIGTL-UHFFFAOYSA-N 0 1 395.419 3.095 20 0 GGADMN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000284294941 1436010684 /nfs/dbraw/zinc/01/06/84/1436010684.db2.gz IIRLCPFSTAQOSU-YWZLYKJASA-N 0 1 376.522 3.052 20 0 GGADMN CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc3cncn3c2)c2ccc(Cl)cc21 ZINC000284305254 1436011656 /nfs/dbraw/zinc/01/16/56/1436011656.db2.gz JSLFFJYQDMBBFU-AWEZNQCLSA-N 0 1 382.851 3.210 20 0 GGADMN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000284432989 1436021412 /nfs/dbraw/zinc/02/14/12/1436021412.db2.gz RLVDQVDUGSFJEC-QZTJIDSGSA-N 0 1 384.455 3.090 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000284471209 1436024091 /nfs/dbraw/zinc/02/40/91/1436024091.db2.gz ACTHWCPHKVZJFH-NDMJEZRESA-N 0 1 399.278 3.176 20 0 GGADMN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000284481125 1436024916 /nfs/dbraw/zinc/02/49/16/1436024916.db2.gz XXPHVWNOMCGMIP-QZTJIDSGSA-N 0 1 398.469 3.455 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(c2nc(-c3cc(Cl)cc(Cl)c3)no2)C1 ZINC000284483863 1436025139 /nfs/dbraw/zinc/02/51/39/1436025139.db2.gz GSQSBTKNAPWFCJ-OLZOCXBDSA-N 0 1 395.250 3.436 20 0 GGADMN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1cc(C(F)(F)F)ccc1Cl ZINC000284482797 1436025256 /nfs/dbraw/zinc/02/52/56/1436025256.db2.gz JERBFRMMYQNGQJ-CZUORRHYSA-N 0 1 386.805 3.202 20 0 GGADMN COc1ncc([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1Cl ZINC000284486651 1436025456 /nfs/dbraw/zinc/02/54/56/1436025456.db2.gz VAYZNNDMWRRORC-CYBMUJFWSA-N 0 1 395.912 3.134 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CCCN1C ZINC000284495274 1436025938 /nfs/dbraw/zinc/02/59/38/1436025938.db2.gz CFDVDGRZOIEVKG-DGELGTTISA-N 0 1 388.462 3.001 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CCCN1C ZINC000284495278 1436025988 /nfs/dbraw/zinc/02/59/88/1436025988.db2.gz CFDVDGRZOIEVKG-FVINJOMDSA-N 0 1 388.462 3.001 20 0 GGADMN O=C(C=Cc1ccc(SC(F)(F)F)cc1)N1CCOC[C@H]1c1nnc[nH]1 ZINC000284503963 1436026815 /nfs/dbraw/zinc/02/68/15/1436026815.db2.gz VUYACNMYEXOHQI-YIALFULDSA-N 0 1 384.383 3.030 20 0 GGADMN CC(C)N1C(=O)N[C@@H]2CN(Cc3ccc(OCc4cccnc4)cc3)CC[C@@H]21 ZINC000284524506 1436027847 /nfs/dbraw/zinc/02/78/47/1436027847.db2.gz FCCCWIRQPFJXNY-RTWAWAEBSA-N 0 1 380.492 3.037 20 0 GGADMN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000284524532 1436028082 /nfs/dbraw/zinc/02/80/82/1436028082.db2.gz FVHNFLZRISIIKZ-AUUYWEPGSA-N 0 1 385.443 3.264 20 0 GGADMN CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc1 ZINC000284544381 1436029527 /nfs/dbraw/zinc/02/95/27/1436029527.db2.gz HOJMNODUNSCHAK-OTYOWRIFSA-N 0 1 382.508 3.031 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000284553986 1436030063 /nfs/dbraw/zinc/03/00/63/1436030063.db2.gz MVTDWBJTFYEDIG-KGLIPLIRSA-N 0 1 386.843 3.352 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)C1 ZINC000284580999 1436032072 /nfs/dbraw/zinc/03/20/72/1436032072.db2.gz LCSCOTWMLFIXDE-SJORKVTESA-N 0 1 394.431 3.178 20 0 GGADMN COc1cc(C)c(NC(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)cc1F ZINC000284584115 1436032322 /nfs/dbraw/zinc/03/23/22/1436032322.db2.gz AKZVVONNXVBOMY-DOMZBBRYSA-N 0 1 389.431 3.132 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000284604477 1436033461 /nfs/dbraw/zinc/03/34/61/1436033461.db2.gz NKSIYTUDPFAORM-HIFRSBDPSA-N 0 1 387.827 3.024 20 0 GGADMN Cc1cc2oc(=O)cc(CN3CCC[C@](O)(c4cn(C(C)C)nn4)C3)c2cc1C ZINC000284612427 1436034408 /nfs/dbraw/zinc/03/44/08/1436034408.db2.gz LVJOHFOBKNDAJX-JOCHJYFZSA-N 0 1 396.491 3.066 20 0 GGADMN COc1cc2c(cc1F)nccc2N1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1 ZINC000284623212 1436035244 /nfs/dbraw/zinc/03/52/44/1436035244.db2.gz SBFUPOITHFSYSO-RDJZCZTQSA-N 0 1 384.455 3.372 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000284622430 1436035324 /nfs/dbraw/zinc/03/53/24/1436035324.db2.gz MOCNJTMUBJBKEX-SJORKVTESA-N 0 1 385.468 3.463 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2cccnc2Cl)CCCN1C1CC1 ZINC000284623248 1436035361 /nfs/dbraw/zinc/03/53/61/1436035361.db2.gz TYFLXLCILFMYAQ-SUMWQHHRSA-N 0 1 388.903 3.206 20 0 GGADMN COCc1ncsc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000284629376 1436035862 /nfs/dbraw/zinc/03/58/62/1436035862.db2.gz JPEANRRFBFISTM-CQSZACIVSA-N 0 1 387.427 3.341 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000284635195 1436036084 /nfs/dbraw/zinc/03/60/84/1436036084.db2.gz TXEZPHPUMZRZPB-KGLIPLIRSA-N 0 1 399.373 3.048 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000284657417 1436037862 /nfs/dbraw/zinc/03/78/62/1436037862.db2.gz TYIHHSTXYBQYKS-HIFRSBDPSA-N 0 1 384.465 3.231 20 0 GGADMN COc1ccc(CN(C[C@@H]2CCCS(=O)(=O)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000284656660 1436038022 /nfs/dbraw/zinc/03/80/22/1436038022.db2.gz GFADNBYWVKEQAS-HOTGVXAUSA-N 0 1 381.538 3.129 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(OC(C)C)cc2F)C1 ZINC000284660027 1436038351 /nfs/dbraw/zinc/03/83/51/1436038351.db2.gz QBPWWNLCTVDCCT-CJNGLKHVSA-N 0 1 377.420 3.033 20 0 GGADMN Cc1cc(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c(F)cc1F ZINC000284661814 1436038490 /nfs/dbraw/zinc/03/84/90/1436038490.db2.gz UODLICQZMQAGLB-VBKZILBWSA-N 0 1 388.462 3.352 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000284678079 1436039558 /nfs/dbraw/zinc/03/95/58/1436039558.db2.gz WGRKGNVNPCLYAU-XZJROXQQSA-N 0 1 396.413 3.299 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000284686629 1436040331 /nfs/dbraw/zinc/04/03/31/1436040331.db2.gz XGLBQUXZAFKVQL-MFKMUULPSA-N 0 1 388.777 3.388 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cccc(-c3nc(C)cs3)c2)C1 ZINC000284702213 1436041147 /nfs/dbraw/zinc/04/11/47/1436041147.db2.gz YZSCQTFCBDKNBO-CVEARBPZSA-N 0 1 383.477 3.147 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)NC2CCC(C)CC2)cc1 ZINC000284711688 1436042109 /nfs/dbraw/zinc/04/21/09/1436042109.db2.gz IWWOJGZMBYASFN-BNQMIIOLSA-N 0 1 380.554 3.214 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](C)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284715394 1436042347 /nfs/dbraw/zinc/04/23/47/1436042347.db2.gz JAOZKHXZFWCQJF-AZUAARDMSA-N 0 1 381.520 3.271 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)n[nH]1 ZINC000284735859 1436044730 /nfs/dbraw/zinc/04/47/30/1436044730.db2.gz BZBWTPYBHCIHPY-ZIAGYGMSSA-N 0 1 397.483 3.454 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000284741392 1436045094 /nfs/dbraw/zinc/04/50/94/1436045094.db2.gz KVZUQBJCPXTEGE-LUKYLMHMSA-N 0 1 380.554 3.309 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000284741396 1436045235 /nfs/dbraw/zinc/04/52/35/1436045235.db2.gz KVZUQBJCPXTEGE-VVLHAWIVSA-N 0 1 380.554 3.309 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccccc2OC(C)C)C1 ZINC000284774093 1436048664 /nfs/dbraw/zinc/04/86/64/1436048664.db2.gz ZPNVUTMNQOSXGX-ZBFHGGJFSA-N 0 1 385.468 3.463 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(=O)OC)c(F)c2)cc1 ZINC000284779034 1436049315 /nfs/dbraw/zinc/04/93/15/1436049315.db2.gz NTMQDQRHIRBJGG-CYBMUJFWSA-N 0 1 379.453 3.257 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000284795455 1436050515 /nfs/dbraw/zinc/05/05/15/1436050515.db2.gz OYRPICOTHLCUQK-STQMWFEESA-N 0 1 395.912 3.206 20 0 GGADMN CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825140945 1441418927 /nfs/dbraw/zinc/41/89/27/1441418927.db2.gz LZLOVJRFTQPVCL-BDJLRTHQSA-N 0 1 386.406 3.213 20 0 GGADMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000820633762 1441425189 /nfs/dbraw/zinc/42/51/89/1441425189.db2.gz DLORYDAPRNWZQT-OAQYLSRUSA-N 0 1 387.447 3.080 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000737031566 1441427397 /nfs/dbraw/zinc/42/73/97/1441427397.db2.gz AKOJDUQSFFCLAJ-CYBMUJFWSA-N 0 1 383.427 3.013 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000737031566 1441427399 /nfs/dbraw/zinc/42/73/99/1441427399.db2.gz AKOJDUQSFFCLAJ-CYBMUJFWSA-N 0 1 383.427 3.013 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820915329 1441431206 /nfs/dbraw/zinc/43/12/06/1441431206.db2.gz VGSIZEHDLVOTGI-HXUWFJFHSA-N 0 1 392.507 3.457 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820915329 1441431209 /nfs/dbraw/zinc/43/12/09/1441431209.db2.gz VGSIZEHDLVOTGI-HXUWFJFHSA-N 0 1 392.507 3.457 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820915329 1441431213 /nfs/dbraw/zinc/43/12/13/1441431213.db2.gz VGSIZEHDLVOTGI-HXUWFJFHSA-N 0 1 392.507 3.457 20 0 GGADMN CC[N@H+](Cc1ccccc1-c1nnn[n-]1)CC1CCN(c2ccccn2)CC1 ZINC000821230906 1441440468 /nfs/dbraw/zinc/44/04/68/1441440468.db2.gz UPRLORRPSUGLRB-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN CC[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC1CCN(c2ccccn2)CC1 ZINC000821230906 1441440471 /nfs/dbraw/zinc/44/04/71/1441440471.db2.gz UPRLORRPSUGLRB-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN CC[N@H+](Cc1ccccc1-c1nn[n-]n1)CC1CCN(c2ccccn2)CC1 ZINC000821230906 1441440473 /nfs/dbraw/zinc/44/04/73/1441440473.db2.gz UPRLORRPSUGLRB-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824614180 1441442511 /nfs/dbraw/zinc/44/25/11/1441442511.db2.gz ZGIVDQQZVIHVHP-CYBMUJFWSA-N 0 1 391.454 3.471 20 0 GGADMN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735466089 1441446965 /nfs/dbraw/zinc/44/69/65/1441446965.db2.gz RCJDAIUZLOKXNY-KKSFZXQISA-N 0 1 396.539 3.431 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821702159 1441460005 /nfs/dbraw/zinc/46/00/05/1441460005.db2.gz JQULQAATHNIFKO-MAUKXSAKSA-N 0 1 379.464 3.132 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000737032420 1441476383 /nfs/dbraw/zinc/47/63/83/1441476383.db2.gz LAWKFGRVVALFPJ-NRFANRHFSA-N 0 1 379.464 3.095 20 0 GGADMN O=C(CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000822964840 1441478557 /nfs/dbraw/zinc/47/85/57/1441478557.db2.gz QUUJZNQABCVNLQ-UHFFFAOYSA-N 0 1 398.417 3.138 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000822964840 1441478558 /nfs/dbraw/zinc/47/85/58/1441478558.db2.gz QUUJZNQABCVNLQ-UHFFFAOYSA-N 0 1 398.417 3.138 20 0 GGADMN O=C(CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000822964840 1441478563 /nfs/dbraw/zinc/47/85/63/1441478563.db2.gz QUUJZNQABCVNLQ-UHFFFAOYSA-N 0 1 398.417 3.138 20 0 GGADMN C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824893302 1441483548 /nfs/dbraw/zinc/48/35/48/1441483548.db2.gz PZRISJJKNNHYDR-DNVCBOLYSA-N 0 1 379.464 3.103 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735874920 1441502134 /nfs/dbraw/zinc/50/21/34/1441502134.db2.gz WEBNBQIQIHYBRU-LJQANCHMSA-N 0 1 392.463 3.103 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735874920 1441502137 /nfs/dbraw/zinc/50/21/37/1441502137.db2.gz WEBNBQIQIHYBRU-LJQANCHMSA-N 0 1 392.463 3.103 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735874920 1441502140 /nfs/dbraw/zinc/50/21/40/1441502140.db2.gz WEBNBQIQIHYBRU-LJQANCHMSA-N 0 1 392.463 3.103 20 0 GGADMN CCc1ccc([C@H](CNc2cc(C(C)=O)ccc2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000825705209 1441511405 /nfs/dbraw/zinc/51/14/05/1441511405.db2.gz YUTXEMJGHKPMBO-FQEVSTJZSA-N 0 1 378.480 3.347 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000826519382 1441521474 /nfs/dbraw/zinc/52/14/74/1441521474.db2.gz WHYOJNHETBTIGQ-UHFFFAOYSA-N 0 1 397.442 3.333 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000826519382 1441521476 /nfs/dbraw/zinc/52/14/76/1441521476.db2.gz WHYOJNHETBTIGQ-UHFFFAOYSA-N 0 1 397.442 3.333 20 0 GGADMN C[C@@H](c1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1)[NH+]1CCOCC1 ZINC000736198123 1441526168 /nfs/dbraw/zinc/52/61/68/1441526168.db2.gz GBXSXZUNVPIILZ-AWEZNQCLSA-N 0 1 382.443 3.011 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000821651582 1441528355 /nfs/dbraw/zinc/52/83/55/1441528355.db2.gz BXELAIROYKMWJL-WMZOPIPTSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000821651582 1441528359 /nfs/dbraw/zinc/52/83/59/1441528359.db2.gz BXELAIROYKMWJL-WMZOPIPTSA-N 0 1 397.866 3.224 20 0 GGADMN OCC[N@@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CCCC1 ZINC000826509892 1441544304 /nfs/dbraw/zinc/54/43/04/1441544304.db2.gz OZJWSBWKXFEYMC-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN OCC[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CCCC1 ZINC000826509892 1441544307 /nfs/dbraw/zinc/54/43/07/1441544307.db2.gz OZJWSBWKXFEYMC-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN OCC[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CCCC1 ZINC000826509892 1441544310 /nfs/dbraw/zinc/54/43/10/1441544310.db2.gz OZJWSBWKXFEYMC-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN COc1ccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(OC)c1 ZINC000826192230 1441548764 /nfs/dbraw/zinc/54/87/64/1441548764.db2.gz FICPMXCHLGGMNL-IBGZPJMESA-N 0 1 379.464 3.094 20 0 GGADMN COc1ccc([C@H](C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)N2CCCC2)cc1 ZINC000826189318 1441548777 /nfs/dbraw/zinc/54/87/77/1441548777.db2.gz SVQVJCQGDYFMGL-IERDGZPVSA-N 0 1 392.507 3.363 20 0 GGADMN COc1cc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc(OC)c1 ZINC000821716644 1441564259 /nfs/dbraw/zinc/56/42/59/1441564259.db2.gz DGOQSLOUNLTQQK-UHFFFAOYSA-N 0 1 376.420 3.069 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2C1 ZINC000824262320 1441594091 /nfs/dbraw/zinc/59/40/91/1441594091.db2.gz ZMMUKFXXQVWHBM-ZHACJKMWSA-N 0 1 388.475 3.490 20 0 GGADMN C[C@H]1C[C@@H](N(C)Cc2cc(-c3nn[n-]n3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000824884014 1441596575 /nfs/dbraw/zinc/59/65/75/1441596575.db2.gz KOODOKHHUKRPMK-YJBOKZPZSA-N 0 1 382.537 3.413 20 0 GGADMN C[C@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000824625853 1441605378 /nfs/dbraw/zinc/60/53/78/1441605378.db2.gz LHFHNDDVMZNFKZ-HNNXBMFYSA-N 0 1 387.447 3.087 20 0 GGADMN Cc1ccc(C2CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000826285640 1441606837 /nfs/dbraw/zinc/60/68/37/1441606837.db2.gz FOFBIKLRAQXIKC-UHFFFAOYSA-N 0 1 378.480 3.219 20 0 GGADMN C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000736759323 1441609600 /nfs/dbraw/zinc/60/96/00/1441609600.db2.gz MOEGMWSKVBSAST-ZDUSSCGKSA-N 0 1 383.422 3.203 20 0 GGADMN CC(C)[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@H]1C ZINC000824216178 1441627509 /nfs/dbraw/zinc/62/75/09/1441627509.db2.gz OTSRPWREXWFNIC-LZQZEXGQSA-N 0 1 383.544 3.281 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)c1 ZINC000821860233 1441627923 /nfs/dbraw/zinc/62/79/23/1441627923.db2.gz ZCOVNHPKHNYUIK-AWEZNQCLSA-N 0 1 398.898 3.412 20 0 GGADMN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820235631 1441638084 /nfs/dbraw/zinc/63/80/84/1441638084.db2.gz TYZIQZQVMHBREY-AEFFLSMTSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000736227385 1441641689 /nfs/dbraw/zinc/64/16/89/1441641689.db2.gz CYCAYVLHIMETAM-FQEVSTJZSA-N 0 1 396.520 3.311 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000736227385 1441641691 /nfs/dbraw/zinc/64/16/91/1441641691.db2.gz CYCAYVLHIMETAM-FQEVSTJZSA-N 0 1 396.520 3.311 20 0 GGADMN C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000736227385 1441641693 /nfs/dbraw/zinc/64/16/93/1441641693.db2.gz CYCAYVLHIMETAM-FQEVSTJZSA-N 0 1 396.520 3.311 20 0 GGADMN CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821165460 1441651093 /nfs/dbraw/zinc/65/10/93/1441651093.db2.gz SLIASAWHEJEDCB-UHFFFAOYSA-N 0 1 382.443 3.083 20 0 GGADMN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821165460 1441651095 /nfs/dbraw/zinc/65/10/95/1441651095.db2.gz SLIASAWHEJEDCB-UHFFFAOYSA-N 0 1 382.443 3.083 20 0 GGADMN OC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738393932 1441654058 /nfs/dbraw/zinc/65/40/58/1441654058.db2.gz OFXNYNXSVVVNQM-TZIWHRDSSA-N 0 1 393.491 3.086 20 0 GGADMN Cc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1C ZINC000826296485 1441674153 /nfs/dbraw/zinc/67/41/53/1441674153.db2.gz YUYHQESYZOKTPM-AWEZNQCLSA-N 0 1 375.436 3.384 20 0 GGADMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821841703 1441675222 /nfs/dbraw/zinc/67/52/22/1441675222.db2.gz MIBCEPXVZFWHBX-GOSISDBHSA-N 0 1 383.427 3.360 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000737032103 1441679975 /nfs/dbraw/zinc/67/99/75/1441679975.db2.gz HNDFSOZHGGROKM-IBGZPJMESA-N 0 1 385.443 3.380 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1N1CCOCC1 ZINC000825323567 1441687722 /nfs/dbraw/zinc/68/77/22/1441687722.db2.gz YHYZDNKBBNTGSV-UHFFFAOYSA-N 0 1 392.507 3.116 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1N1CCOCC1 ZINC000825323567 1441687726 /nfs/dbraw/zinc/68/77/26/1441687726.db2.gz YHYZDNKBBNTGSV-UHFFFAOYSA-N 0 1 392.507 3.116 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1N1CCOCC1 ZINC000825323567 1441687728 /nfs/dbraw/zinc/68/77/28/1441687728.db2.gz YHYZDNKBBNTGSV-UHFFFAOYSA-N 0 1 392.507 3.116 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000821614700 1441689155 /nfs/dbraw/zinc/68/91/55/1441689155.db2.gz RDJHCYZHNRCJCV-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000821614700 1441689159 /nfs/dbraw/zinc/68/91/59/1441689159.db2.gz RDJHCYZHNRCJCV-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000821614700 1441689162 /nfs/dbraw/zinc/68/91/62/1441689162.db2.gz RDJHCYZHNRCJCV-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000823672149 1441704383 /nfs/dbraw/zinc/70/43/83/1441704383.db2.gz BKISPEZOFMNHSW-QUCCMNQESA-N 0 1 388.475 3.208 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672149 1441704385 /nfs/dbraw/zinc/70/43/85/1441704385.db2.gz BKISPEZOFMNHSW-QUCCMNQESA-N 0 1 388.475 3.208 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672149 1441704388 /nfs/dbraw/zinc/70/43/88/1441704388.db2.gz BKISPEZOFMNHSW-QUCCMNQESA-N 0 1 388.475 3.208 20 0 GGADMN CC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000435883585 1441733991 /nfs/dbraw/zinc/73/39/91/1441733991.db2.gz ZXKPTZRSNGATTF-UHFFFAOYSA-N 0 1 376.464 3.108 20 0 GGADMN Cc1cc[nH+]c(N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1-c1nnn[n-]1 ZINC000826309306 1441739364 /nfs/dbraw/zinc/73/93/64/1441739364.db2.gz KVKPFCZLKNKVMS-KRWDZBQOSA-N 0 1 392.488 3.372 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1OCC(C)C ZINC000821813764 1441740470 /nfs/dbraw/zinc/74/04/70/1441740470.db2.gz LKMZUFJCCKQVKX-UHFFFAOYSA-N 0 1 385.443 3.339 20 0 GGADMN C[C@@H]1SCC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000820819983 1441755619 /nfs/dbraw/zinc/75/56/19/1441755619.db2.gz LSCNEPGYRQBFMY-ZOCIIQOWSA-N 0 1 381.505 3.079 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000737504331 1441762026 /nfs/dbraw/zinc/76/20/26/1441762026.db2.gz UCTXNNQGQXGWOQ-UHFFFAOYSA-N 0 1 397.845 3.443 20 0 GGADMN CC[N@H+](CCc1ccccn1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825428538 1441763825 /nfs/dbraw/zinc/76/38/25/1441763825.db2.gz PSQFDAJHKAOWNK-UHFFFAOYSA-N 0 1 387.285 3.089 20 0 GGADMN CC[N@@H+](CCc1ccccn1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825428538 1441763827 /nfs/dbraw/zinc/76/38/27/1441763827.db2.gz PSQFDAJHKAOWNK-UHFFFAOYSA-N 0 1 387.285 3.089 20 0 GGADMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917158 1441763927 /nfs/dbraw/zinc/76/39/27/1441763927.db2.gz MEVIBNZYDKJHHP-YCRPNKLZSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@H]1CC[C@@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917158 1441763931 /nfs/dbraw/zinc/76/39/31/1441763931.db2.gz MEVIBNZYDKJHHP-YCRPNKLZSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917158 1441763934 /nfs/dbraw/zinc/76/39/34/1441763934.db2.gz MEVIBNZYDKJHHP-YCRPNKLZSA-N 0 1 377.496 3.279 20 0 GGADMN CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434812 1441768040 /nfs/dbraw/zinc/76/80/40/1441768040.db2.gz GEFLQYUHPQYRAQ-CQSZACIVSA-N 0 1 392.442 3.170 20 0 GGADMN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820881779 1441772213 /nfs/dbraw/zinc/77/22/13/1441772213.db2.gz CYIBTLOXAMTJFB-LPHOPBHVSA-N 0 1 395.507 3.332 20 0 GGADMN C[C@@H](Cc1cccs1)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824457050 1441776553 /nfs/dbraw/zinc/77/65/53/1441776553.db2.gz CZBGZVKGJAFBNM-JEYLPNPQSA-N 0 1 384.509 3.234 20 0 GGADMN COc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1-c1nn[n-]n1 ZINC000821814159 1441779483 /nfs/dbraw/zinc/77/94/83/1441779483.db2.gz VDLLOHISRDXQBI-UHFFFAOYSA-N 0 1 382.855 3.342 20 0 GGADMN Fc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)C2)c(F)c1 ZINC000826375400 1441802527 /nfs/dbraw/zinc/80/25/27/1441802527.db2.gz MFULVHMURLPZCO-APWZRJJASA-N 0 1 396.445 3.391 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000826274137 1441821203 /nfs/dbraw/zinc/82/12/03/1441821203.db2.gz HYMOUWQMJIIBNQ-UHFFFAOYSA-N 0 1 382.855 3.323 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825140948 1441849427 /nfs/dbraw/zinc/84/94/27/1441849427.db2.gz LZLOVJRFTQPVCL-BZNIZROVSA-N 0 1 386.406 3.213 20 0 GGADMN COc1ccc(COCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000737096290 1441859848 /nfs/dbraw/zinc/85/98/48/1441859848.db2.gz ARHCTSUTAPABSL-UHFFFAOYSA-N 0 1 381.480 3.303 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821253233 1441864825 /nfs/dbraw/zinc/86/48/25/1441864825.db2.gz FIJSTWJNSFGCEJ-MRXNPFEDSA-N 0 1 390.491 3.090 20 0 GGADMN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821253233 1441864827 /nfs/dbraw/zinc/86/48/27/1441864827.db2.gz FIJSTWJNSFGCEJ-MRXNPFEDSA-N 0 1 390.491 3.090 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821253233 1441864829 /nfs/dbraw/zinc/86/48/29/1441864829.db2.gz FIJSTWJNSFGCEJ-MRXNPFEDSA-N 0 1 390.491 3.090 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737845183 1441867225 /nfs/dbraw/zinc/86/72/25/1441867225.db2.gz XRPREQQSFYISIL-MRXNPFEDSA-N 0 1 396.520 3.212 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737845183 1441867227 /nfs/dbraw/zinc/86/72/27/1441867227.db2.gz XRPREQQSFYISIL-MRXNPFEDSA-N 0 1 396.520 3.212 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737845183 1441867230 /nfs/dbraw/zinc/86/72/30/1441867230.db2.gz XRPREQQSFYISIL-MRXNPFEDSA-N 0 1 396.520 3.212 20 0 GGADMN CC[C@H]1CC[N@@H+](CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCC2)C1 ZINC000820989623 1441867400 /nfs/dbraw/zinc/86/74/00/1441867400.db2.gz XIPNVBCHQSELSV-HNNXBMFYSA-N 0 1 385.516 3.071 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821599035 1441879115 /nfs/dbraw/zinc/87/91/15/1441879115.db2.gz CRWPOWURSPTFBU-AWEZNQCLSA-N 0 1 385.903 3.379 20 0 GGADMN CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821599035 1441879117 /nfs/dbraw/zinc/87/91/17/1441879117.db2.gz CRWPOWURSPTFBU-AWEZNQCLSA-N 0 1 385.903 3.379 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821599035 1441879119 /nfs/dbraw/zinc/87/91/19/1441879119.db2.gz CRWPOWURSPTFBU-AWEZNQCLSA-N 0 1 385.903 3.379 20 0 GGADMN CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825139373 1441891372 /nfs/dbraw/zinc/89/13/72/1441891372.db2.gz FNMDFMPBMXAOFN-AWEZNQCLSA-N 0 1 390.394 3.034 20 0 GGADMN CN(Cc1ccccc1F)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139854571 1441896263 /nfs/dbraw/zinc/89/62/63/1441896263.db2.gz MOBUDCHJUVAZML-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822352148 1441902734 /nfs/dbraw/zinc/90/27/34/1441902734.db2.gz VCCMKPCUWRNAGQ-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822352148 1441902736 /nfs/dbraw/zinc/90/27/36/1441902736.db2.gz VCCMKPCUWRNAGQ-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822352148 1441902738 /nfs/dbraw/zinc/90/27/38/1441902738.db2.gz VCCMKPCUWRNAGQ-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN C[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000736025901 1441906351 /nfs/dbraw/zinc/90/63/51/1441906351.db2.gz KLNLCMUTHWHDMB-ZDUSSCGKSA-N 0 1 391.504 3.335 20 0 GGADMN C[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000736025901 1441906354 /nfs/dbraw/zinc/90/63/54/1441906354.db2.gz KLNLCMUTHWHDMB-ZDUSSCGKSA-N 0 1 391.504 3.335 20 0 GGADMN C[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000736025901 1441906357 /nfs/dbraw/zinc/90/63/57/1441906357.db2.gz KLNLCMUTHWHDMB-ZDUSSCGKSA-N 0 1 391.504 3.335 20 0 GGADMN C[C@H]([NH2+]CCOc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598566 1441907255 /nfs/dbraw/zinc/90/72/55/1441907255.db2.gz GOPHFTUZCAHSCJ-LBPRGKRZSA-N 0 1 388.269 3.359 20 0 GGADMN O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823453956 1441914847 /nfs/dbraw/zinc/91/48/47/1441914847.db2.gz GSIDHFINVKBSKE-UHFFFAOYSA-N 0 1 399.476 3.012 20 0 GGADMN Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826283051 1441924391 /nfs/dbraw/zinc/92/43/91/1441924391.db2.gz JGIZXLYGSRBIEF-KRWDZBQOSA-N 0 1 376.508 3.490 20 0 GGADMN c1ccc2c(c1)cncc2C[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826522468 1441931105 /nfs/dbraw/zinc/93/11/05/1441931105.db2.gz BXXVDBXWWQDZRJ-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN Fc1ccc(CC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C2CC2)cc1 ZINC000737647578 1441937121 /nfs/dbraw/zinc/93/71/21/1441937121.db2.gz GSYRHNRMZBBMOR-UHFFFAOYSA-N 0 1 376.439 3.466 20 0 GGADMN Fc1ccc(CC[N@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C2CC2)cc1 ZINC000737647578 1441937125 /nfs/dbraw/zinc/93/71/25/1441937125.db2.gz GSYRHNRMZBBMOR-UHFFFAOYSA-N 0 1 376.439 3.466 20 0 GGADMN Fc1ccc(CC[N@@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C2CC2)cc1 ZINC000737647578 1441937127 /nfs/dbraw/zinc/93/71/27/1441937127.db2.gz GSYRHNRMZBBMOR-UHFFFAOYSA-N 0 1 376.439 3.466 20 0 GGADMN c1ccc(CN2CCC([NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)CC2)cc1 ZINC000826521330 1441943203 /nfs/dbraw/zinc/94/32/03/1441943203.db2.gz IIYZOIBJUFVNHU-QFIPXVFZSA-N 0 1 388.519 3.498 20 0 GGADMN CN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821609586 1441946335 /nfs/dbraw/zinc/94/63/35/1441946335.db2.gz CZHMACBTGNCDCD-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821609586 1441946338 /nfs/dbraw/zinc/94/63/38/1441946338.db2.gz CZHMACBTGNCDCD-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821609586 1441946340 /nfs/dbraw/zinc/94/63/40/1441946340.db2.gz CZHMACBTGNCDCD-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1C[C@@H]2CCC[C@H]21 ZINC000819876390 1441947000 /nfs/dbraw/zinc/94/70/00/1441947000.db2.gz GTENAQPJSWYQTJ-MBNYWOFBSA-N 0 1 386.525 3.008 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000819876390 1441947002 /nfs/dbraw/zinc/94/70/02/1441947002.db2.gz GTENAQPJSWYQTJ-MBNYWOFBSA-N 0 1 386.525 3.008 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000819876390 1441947004 /nfs/dbraw/zinc/94/70/04/1441947004.db2.gz GTENAQPJSWYQTJ-MBNYWOFBSA-N 0 1 386.525 3.008 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447817 1441958867 /nfs/dbraw/zinc/95/88/67/1441958867.db2.gz LGTSPRBTBAZHCO-DLBZAZTESA-N 0 1 383.525 3.294 20 0 GGADMN Cc1ccccc1[C@@H]([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1 ZINC000826306277 1441967754 /nfs/dbraw/zinc/96/77/54/1441967754.db2.gz UYXZXRRPVSCNFO-IBGZPJMESA-N 0 1 387.447 3.466 20 0 GGADMN c1ccc2sc([C@H]3CCC[N@H+](Cc4ccnc(-c5nnn[n-]5)c4)C3)nc2c1 ZINC000826524263 1441984258 /nfs/dbraw/zinc/98/42/58/1441984258.db2.gz OMTFALBJGJDXOO-AWEZNQCLSA-N 0 1 377.477 3.251 20 0 GGADMN c1ccc2sc([C@H]3CCC[N@@H+](Cc4ccnc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826524263 1441984261 /nfs/dbraw/zinc/98/42/61/1441984261.db2.gz OMTFALBJGJDXOO-AWEZNQCLSA-N 0 1 377.477 3.251 20 0 GGADMN c1ccc2sc([C@H]3CCC[N@H+](Cc4ccnc(-c5nn[n-]n5)c4)C3)nc2c1 ZINC000826524263 1441984262 /nfs/dbraw/zinc/98/42/62/1441984262.db2.gz OMTFALBJGJDXOO-AWEZNQCLSA-N 0 1 377.477 3.251 20 0 GGADMN C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607449 1441985312 /nfs/dbraw/zinc/98/53/12/1441985312.db2.gz XWJXRLDESHSLOM-AWEZNQCLSA-N 0 1 377.427 3.085 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000736268880 1441991464 /nfs/dbraw/zinc/99/14/64/1441991464.db2.gz VAAHJMMNGRMZDG-KGLIPLIRSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736268880 1441991467 /nfs/dbraw/zinc/99/14/67/1441991467.db2.gz VAAHJMMNGRMZDG-KGLIPLIRSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000736268880 1441991469 /nfs/dbraw/zinc/99/14/69/1441991469.db2.gz VAAHJMMNGRMZDG-KGLIPLIRSA-N 0 1 375.908 3.006 20 0 GGADMN COc1ccccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCO1 ZINC000826219858 1441994397 /nfs/dbraw/zinc/99/43/97/1441994397.db2.gz TVPKWGCLEZWFQG-HNNXBMFYSA-N 0 1 385.493 3.118 20 0 GGADMN COc1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCO1 ZINC000826219858 1441994400 /nfs/dbraw/zinc/99/44/00/1441994400.db2.gz TVPKWGCLEZWFQG-HNNXBMFYSA-N 0 1 385.493 3.118 20 0 GGADMN Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000737309111 1441996499 /nfs/dbraw/zinc/99/64/99/1441996499.db2.gz GMICNXNRKGJSDN-CQSZACIVSA-N 0 1 396.520 3.192 20 0 GGADMN O=C(c1ccc(F)cc1F)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853063 1442011250 /nfs/dbraw/zinc/01/12/50/1442011250.db2.gz CBBDACZLLYVNTK-UHFFFAOYSA-N 0 1 383.402 3.240 20 0 GGADMN CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825417384 1442017936 /nfs/dbraw/zinc/01/79/36/1442017936.db2.gz QHPBVIXQDQADSU-UHFFFAOYSA-N 0 1 390.495 3.170 20 0 GGADMN Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)C)s1 ZINC000822237119 1442019648 /nfs/dbraw/zinc/01/96/48/1442019648.db2.gz FZCQYOZGAIEDLO-UHFFFAOYSA-N 0 1 384.509 3.476 20 0 GGADMN Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)s1 ZINC000822237119 1442019650 /nfs/dbraw/zinc/01/96/50/1442019650.db2.gz FZCQYOZGAIEDLO-UHFFFAOYSA-N 0 1 384.509 3.476 20 0 GGADMN Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)s1 ZINC000822237119 1442019653 /nfs/dbraw/zinc/01/96/53/1442019653.db2.gz FZCQYOZGAIEDLO-UHFFFAOYSA-N 0 1 384.509 3.476 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554251 1442032285 /nfs/dbraw/zinc/03/22/85/1442032285.db2.gz OAVBPXMVSIEZPC-TZMCWYRMSA-N 0 1 377.489 3.101 20 0 GGADMN CN(Cc1nc(C(F)(F)F)cs1)c1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825991499 1442034774 /nfs/dbraw/zinc/03/47/74/1442034774.db2.gz CHAQPGYIBICDFH-UHFFFAOYSA-N 0 1 395.414 3.252 20 0 GGADMN COc1ccc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000737090549 1442039362 /nfs/dbraw/zinc/03/93/62/1442039362.db2.gz IPIHRUMTAKWDBE-UHFFFAOYSA-N 0 1 383.427 3.058 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(-c3nnn[n-]3)ccc1OC)CCC2 ZINC000825749802 1442040989 /nfs/dbraw/zinc/04/09/89/1442040989.db2.gz HZCCEFFHKSKXLQ-HNNXBMFYSA-N 0 1 384.509 3.404 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(-c3nnn[n-]3)ccc1OC)CCC2 ZINC000825749802 1442040993 /nfs/dbraw/zinc/04/09/93/1442040993.db2.gz HZCCEFFHKSKXLQ-HNNXBMFYSA-N 0 1 384.509 3.404 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578310 1442043904 /nfs/dbraw/zinc/04/39/04/1442043904.db2.gz SHIUEYZBQWJPRC-HKUYNNGSSA-N 0 1 376.508 3.082 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824578310 1442043909 /nfs/dbraw/zinc/04/39/09/1442043909.db2.gz SHIUEYZBQWJPRC-HKUYNNGSSA-N 0 1 376.508 3.082 20 0 GGADMN COc1ccccc1OCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139095100 1442045407 /nfs/dbraw/zinc/04/54/07/1442045407.db2.gz RNVQHEWVYBYBIG-UHFFFAOYSA-N 0 1 379.464 3.166 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000822744075 1442046889 /nfs/dbraw/zinc/04/68/89/1442046889.db2.gz LABGGVPCSSUCPX-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826237981 1442053768 /nfs/dbraw/zinc/05/37/68/1442053768.db2.gz SATBLNFRBWBEAU-SCRDCRAPSA-N 0 1 375.908 3.065 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826237981 1442053770 /nfs/dbraw/zinc/05/37/70/1442053770.db2.gz SATBLNFRBWBEAU-SCRDCRAPSA-N 0 1 375.908 3.065 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826237981 1442053775 /nfs/dbraw/zinc/05/37/75/1442053775.db2.gz SATBLNFRBWBEAU-SCRDCRAPSA-N 0 1 375.908 3.065 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000826285443 1442063377 /nfs/dbraw/zinc/06/33/77/1442063377.db2.gz AATVPMCFTODGMZ-INIZCTEOSA-N 0 1 396.520 3.281 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736828559 1442075781 /nfs/dbraw/zinc/07/57/81/1442075781.db2.gz OTOPCIPCNQIRIE-UHFFFAOYSA-N 0 1 380.471 3.354 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736828559 1442075786 /nfs/dbraw/zinc/07/57/86/1442075786.db2.gz OTOPCIPCNQIRIE-UHFFFAOYSA-N 0 1 380.471 3.354 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736828559 1442075790 /nfs/dbraw/zinc/07/57/90/1442075790.db2.gz OTOPCIPCNQIRIE-UHFFFAOYSA-N 0 1 380.471 3.354 20 0 GGADMN CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736403777 1442076027 /nfs/dbraw/zinc/07/60/27/1442076027.db2.gz WVVMEJJERJRPBV-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736403777 1442076031 /nfs/dbraw/zinc/07/60/31/1442076031.db2.gz WVVMEJJERJRPBV-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736403777 1442076035 /nfs/dbraw/zinc/07/60/35/1442076035.db2.gz WVVMEJJERJRPBV-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)C1 ZINC000820709513 1442076772 /nfs/dbraw/zinc/07/67/72/1442076772.db2.gz JVVDHRORNDOHJC-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820709513 1442076776 /nfs/dbraw/zinc/07/67/76/1442076776.db2.gz JVVDHRORNDOHJC-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820709513 1442076779 /nfs/dbraw/zinc/07/67/79/1442076779.db2.gz JVVDHRORNDOHJC-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1C ZINC000821230108 1442085421 /nfs/dbraw/zinc/08/54/21/1442085421.db2.gz BTPAINQSYWVWEF-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CC[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1C ZINC000821230108 1442085425 /nfs/dbraw/zinc/08/54/25/1442085425.db2.gz BTPAINQSYWVWEF-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CC[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1C ZINC000821230108 1442085432 /nfs/dbraw/zinc/08/54/32/1442085432.db2.gz BTPAINQSYWVWEF-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CCOC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139097184 1442101961 /nfs/dbraw/zinc/10/19/61/1442101961.db2.gz VJXFKTYCZWMTPD-UHFFFAOYSA-N 0 1 379.464 3.212 20 0 GGADMN CCOC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139097184 1442101965 /nfs/dbraw/zinc/10/19/65/1442101965.db2.gz VJXFKTYCZWMTPD-UHFFFAOYSA-N 0 1 379.464 3.212 20 0 GGADMN CCOC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139097184 1442101968 /nfs/dbraw/zinc/10/19/68/1442101968.db2.gz VJXFKTYCZWMTPD-UHFFFAOYSA-N 0 1 379.464 3.212 20 0 GGADMN CC[N@@H+](Cc1ccc(OCC(=O)OC)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435067 1442102411 /nfs/dbraw/zinc/10/24/11/1442102411.db2.gz LEUNFBXQDFLFDM-HNNXBMFYSA-N 0 1 395.463 3.002 20 0 GGADMN CC[N@H+](Cc1ccc(OCC(=O)OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435067 1442102414 /nfs/dbraw/zinc/10/24/14/1442102414.db2.gz LEUNFBXQDFLFDM-HNNXBMFYSA-N 0 1 395.463 3.002 20 0 GGADMN CC[N@@H+](Cc1ccc(OCC(=O)OC)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435067 1442102424 /nfs/dbraw/zinc/10/24/24/1442102424.db2.gz LEUNFBXQDFLFDM-HNNXBMFYSA-N 0 1 395.463 3.002 20 0 GGADMN CC[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)cc1 ZINC000825143003 1442103662 /nfs/dbraw/zinc/10/36/62/1442103662.db2.gz UQTQXDABGCSDTP-KRWDZBQOSA-N 0 1 383.452 3.004 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000824109406 1442113424 /nfs/dbraw/zinc/11/34/24/1442113424.db2.gz PJDCRCKAUUFFOG-RDJZCZTQSA-N 0 1 386.500 3.040 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391125 1442122631 /nfs/dbraw/zinc/12/26/31/1442122631.db2.gz YNMCJPAOLNDEHB-WIYYLYMNSA-N 0 1 393.491 3.060 20 0 GGADMN Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000819688300 1442143090 /nfs/dbraw/zinc/14/30/90/1442143090.db2.gz FTVUBELUIFWANE-QGZVFWFLSA-N 0 1 384.281 3.276 20 0 GGADMN CC[NH+]1CCN(c2ccccc2N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825466347 1442144744 /nfs/dbraw/zinc/14/47/44/1442144744.db2.gz ZVAOJLPDHIQVJW-OAHLLOKOSA-N 0 1 395.486 3.321 20 0 GGADMN C[N@@H+](CCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)Cc1ccccc1 ZINC000736800705 1442150008 /nfs/dbraw/zinc/15/00/08/1442150008.db2.gz OAXNKAYZJMHWFW-UHFFFAOYSA-N 0 1 376.386 3.429 20 0 GGADMN C[N@H+](CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)Cc1ccccc1 ZINC000736800705 1442150015 /nfs/dbraw/zinc/15/00/15/1442150015.db2.gz OAXNKAYZJMHWFW-UHFFFAOYSA-N 0 1 376.386 3.429 20 0 GGADMN C[N@@H+](CCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)Cc1ccccc1 ZINC000736800705 1442150019 /nfs/dbraw/zinc/15/00/19/1442150019.db2.gz OAXNKAYZJMHWFW-UHFFFAOYSA-N 0 1 376.386 3.429 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000826406918 1442171369 /nfs/dbraw/zinc/17/13/69/1442171369.db2.gz SNIYBQZEYPBUQI-UHFFFAOYSA-N 0 1 379.439 3.377 20 0 GGADMN O=C(CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1)C1CC1 ZINC000826406918 1442171374 /nfs/dbraw/zinc/17/13/74/1442171374.db2.gz SNIYBQZEYPBUQI-UHFFFAOYSA-N 0 1 379.439 3.377 20 0 GGADMN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736802709 1442172818 /nfs/dbraw/zinc/17/28/18/1442172818.db2.gz WDIVBEDTRRAALK-UHFFFAOYSA-N 0 1 377.370 3.396 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618866 1442184800 /nfs/dbraw/zinc/18/48/00/1442184800.db2.gz RFFCQSHSRQPOQD-MRXNPFEDSA-N 0 1 393.491 3.413 20 0 GGADMN COc1ccc(OC(F)F)c(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1 ZINC000821839481 1442185604 /nfs/dbraw/zinc/18/56/04/1442185604.db2.gz VLRZKGISUZTERO-UHFFFAOYSA-N 0 1 398.373 3.059 20 0 GGADMN CC[C@H](C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000825120473 1442202704 /nfs/dbraw/zinc/20/27/04/1442202704.db2.gz KLOPCXCFGPEUMX-OAHLLOKOSA-N 0 1 393.495 3.048 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737428190 1442206579 /nfs/dbraw/zinc/20/65/79/1442206579.db2.gz MTXZWYQPRJLAGY-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737428190 1442206584 /nfs/dbraw/zinc/20/65/84/1442206584.db2.gz MTXZWYQPRJLAGY-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737428190 1442206588 /nfs/dbraw/zinc/20/65/88/1442206588.db2.gz MTXZWYQPRJLAGY-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821600262 1442206843 /nfs/dbraw/zinc/20/68/43/1442206843.db2.gz FKFLODRUOMLRRU-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821600262 1442206850 /nfs/dbraw/zinc/20/68/50/1442206850.db2.gz FKFLODRUOMLRRU-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821600262 1442206855 /nfs/dbraw/zinc/20/68/55/1442206855.db2.gz FKFLODRUOMLRRU-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826304668 1442215206 /nfs/dbraw/zinc/21/52/06/1442215206.db2.gz UFHNFTWMMHEFKH-HSZRJFAPSA-N 0 1 398.470 3.402 20 0 GGADMN Cc1cccc([C@H](CNc2cc(Cl)ccc2-c2nnn[n-]2)[NH+]2CCOCC2)c1 ZINC000737391251 1442217877 /nfs/dbraw/zinc/21/78/77/1442217877.db2.gz YTKYAVYOAFPVOB-IBGZPJMESA-N 0 1 398.898 3.314 20 0 GGADMN C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824599714 1442238318 /nfs/dbraw/zinc/23/83/18/1442238318.db2.gz RGPTYBUNFFCEID-JTQLQIEISA-N 0 1 378.267 3.331 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824945310 1442249350 /nfs/dbraw/zinc/24/93/50/1442249350.db2.gz BCOZOWZBMZTQOJ-GHMZBOCLSA-N 0 1 397.310 3.024 20 0 GGADMN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945310 1442249354 /nfs/dbraw/zinc/24/93/54/1442249354.db2.gz BCOZOWZBMZTQOJ-GHMZBOCLSA-N 0 1 397.310 3.024 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945310 1442249359 /nfs/dbraw/zinc/24/93/59/1442249359.db2.gz BCOZOWZBMZTQOJ-GHMZBOCLSA-N 0 1 397.310 3.024 20 0 GGADMN CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825675233 1442253206 /nfs/dbraw/zinc/25/32/06/1442253206.db2.gz ZVSWXJUTGVTWLX-PBHICJAKSA-N 0 1 399.520 3.069 20 0 GGADMN COc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1-c1nn[n-]n1 ZINC000826194898 1442270337 /nfs/dbraw/zinc/27/03/37/1442270337.db2.gz ZJCSTFGPCGEUCM-UHFFFAOYSA-N 0 1 385.512 3.437 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c(-c2nnn[n-]2)c1C ZINC000822548349 1442271822 /nfs/dbraw/zinc/27/18/22/1442271822.db2.gz JBBYOELBULZQFY-UHFFFAOYSA-N 0 1 398.442 3.066 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)c(-c2nnn[n-]2)c1C ZINC000822548349 1442271827 /nfs/dbraw/zinc/27/18/27/1442271827.db2.gz JBBYOELBULZQFY-UHFFFAOYSA-N 0 1 398.442 3.066 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000735882338 1442296140 /nfs/dbraw/zinc/29/61/40/1442296140.db2.gz PQWUDPOQEIVOEX-UHFFFAOYSA-N 0 1 390.491 3.090 20 0 GGADMN CC(C)[N@@H+]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000735882338 1442296144 /nfs/dbraw/zinc/29/61/44/1442296144.db2.gz PQWUDPOQEIVOEX-UHFFFAOYSA-N 0 1 390.491 3.090 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000735882338 1442296147 /nfs/dbraw/zinc/29/61/47/1442296147.db2.gz PQWUDPOQEIVOEX-UHFFFAOYSA-N 0 1 390.491 3.090 20 0 GGADMN C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824528507 1442325448 /nfs/dbraw/zinc/32/54/48/1442325448.db2.gz ASSITDJURBVBHZ-IFXJQAMLSA-N 0 1 394.454 3.020 20 0 GGADMN FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000822727900 1442332695 /nfs/dbraw/zinc/33/26/95/1442332695.db2.gz BCIIJIZOYMXXGD-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000822727900 1442332699 /nfs/dbraw/zinc/33/26/99/1442332699.db2.gz BCIIJIZOYMXXGD-QGZVFWFLSA-N 0 1 389.381 3.459 20 0 GGADMN O=C(CC[N@H+]1CCCC[C@H]1Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964120 1442333753 /nfs/dbraw/zinc/33/37/53/1442333753.db2.gz DJEOCRJGZHNUDZ-FQEVSTJZSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@@H+]1CCCC[C@H]1Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964120 1442333757 /nfs/dbraw/zinc/33/37/57/1442333757.db2.gz DJEOCRJGZHNUDZ-FQEVSTJZSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@H+]1CCCC[C@H]1Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964120 1442333759 /nfs/dbraw/zinc/33/37/59/1442333759.db2.gz DJEOCRJGZHNUDZ-FQEVSTJZSA-N 0 1 390.491 3.293 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538732 1442339330 /nfs/dbraw/zinc/33/93/30/1442339330.db2.gz KGRRZFGLNNBLMZ-OEPMTFCVSA-N 0 1 396.882 3.143 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824762331 1442358602 /nfs/dbraw/zinc/35/86/02/1442358602.db2.gz GBLAYDITNLNVQQ-CYBMUJFWSA-N 0 1 388.928 3.460 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1-c1nn[n-]n1 ZINC000826202772 1442364185 /nfs/dbraw/zinc/36/41/85/1442364185.db2.gz MKONQWKGEYLSMH-OAHLLOKOSA-N 0 1 388.475 3.312 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000821803175 1442367708 /nfs/dbraw/zinc/36/77/08/1442367708.db2.gz CVLMBLWVZWTWBD-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825013341 1442372914 /nfs/dbraw/zinc/37/29/14/1442372914.db2.gz PSLXQTXCMGSLEE-KSFYIVLOSA-N 0 1 388.519 3.354 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000821787146 1442379151 /nfs/dbraw/zinc/37/91/51/1442379151.db2.gz OXFSGYKZPWWYSA-SFHVURJKSA-N 0 1 395.463 3.230 20 0 GGADMN c1ccc([C@@H]([NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCOC2)cc1 ZINC000826520499 1442395194 /nfs/dbraw/zinc/39/51/94/1442395194.db2.gz KVDICHBOUSEEOU-UYAOXDASSA-N 0 1 379.464 3.003 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503364 1442401118 /nfs/dbraw/zinc/40/11/18/1442401118.db2.gz VYMHKARZSIYYRP-QRWLVFNGSA-N 0 1 381.455 3.309 20 0 GGADMN O[C@@H](C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503364 1442401120 /nfs/dbraw/zinc/40/11/20/1442401120.db2.gz VYMHKARZSIYYRP-QRWLVFNGSA-N 0 1 381.455 3.309 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503364 1442401122 /nfs/dbraw/zinc/40/11/22/1442401122.db2.gz VYMHKARZSIYYRP-QRWLVFNGSA-N 0 1 381.455 3.309 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826201816 1442405951 /nfs/dbraw/zinc/40/59/51/1442405951.db2.gz FKBRMERAKCSHCJ-APWZRJJASA-N 0 1 379.464 3.133 20 0 GGADMN O=C(CC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)Nc1cccc(Cl)c1 ZINC000826407546 1442411086 /nfs/dbraw/zinc/41/10/86/1442411086.db2.gz RJWDBVBBPGHSLL-UHFFFAOYSA-N 0 1 382.855 3.128 20 0 GGADMN Cc1cccc(C)c1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826296549 1442411554 /nfs/dbraw/zinc/41/15/54/1442411554.db2.gz ATJAKNYECVSJGH-UHFFFAOYSA-N 0 1 387.491 3.216 20 0 GGADMN C[C@]1([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCCOC1 ZINC000824837906 1442419662 /nfs/dbraw/zinc/41/96/62/1442419662.db2.gz JYPSWPHYXHANIE-NRFANRHFSA-N 0 1 379.464 3.104 20 0 GGADMN CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2)CC1 ZINC000820723206 1442420149 /nfs/dbraw/zinc/42/01/49/1442420149.db2.gz XEPSVWDAFUWMKT-INIZCTEOSA-N 0 1 396.520 3.131 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737842836 1442420543 /nfs/dbraw/zinc/42/05/43/1442420543.db2.gz DELQEWBTAINJLD-HNNXBMFYSA-N 0 1 386.843 3.279 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000737526018 1442423136 /nfs/dbraw/zinc/42/31/36/1442423136.db2.gz VJLKDHXDEAIYRB-KRWDZBQOSA-N 0 1 380.500 3.292 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@H]2CCCC[C@@H]12 ZINC000820728609 1442444091 /nfs/dbraw/zinc/44/40/91/1442444091.db2.gz XJSNJXFSFMAVEW-COXVUDFISA-N 0 1 379.468 3.317 20 0 GGADMN c1cc2c(cccc2C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)[nH]1 ZINC000826515679 1442444985 /nfs/dbraw/zinc/44/49/85/1442444985.db2.gz HKEBQDPWUNSKIW-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2c(cccc2C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)[nH]1 ZINC000826515679 1442444989 /nfs/dbraw/zinc/44/49/89/1442444989.db2.gz HKEBQDPWUNSKIW-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2c(cccc2C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)[nH]1 ZINC000826515679 1442444991 /nfs/dbraw/zinc/44/49/91/1442444991.db2.gz HKEBQDPWUNSKIW-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2c(cccc2CN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)[nH]1 ZINC000826515679 1442444995 /nfs/dbraw/zinc/44/49/95/1442444995.db2.gz HKEBQDPWUNSKIW-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN c1cc2c(cccc2CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)[nH]1 ZINC000826515679 1442444998 /nfs/dbraw/zinc/44/49/98/1442444998.db2.gz HKEBQDPWUNSKIW-UHFFFAOYSA-N 0 1 387.491 3.056 20 0 GGADMN CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000825745459 1442459413 /nfs/dbraw/zinc/45/94/13/1442459413.db2.gz MNCYGTHOAJPSIF-LBPRGKRZSA-N 0 1 382.497 3.035 20 0 GGADMN CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000825745459 1442459415 /nfs/dbraw/zinc/45/94/15/1442459415.db2.gz MNCYGTHOAJPSIF-LBPRGKRZSA-N 0 1 382.497 3.035 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1Br)c1nccs1 ZINC000824413820 1442476681 /nfs/dbraw/zinc/47/66/81/1442476681.db2.gz QAVHKFAEEMUFSD-JTQLQIEISA-N 0 1 393.314 3.321 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C3)n2)cc1 ZINC000826519058 1442477758 /nfs/dbraw/zinc/47/77/58/1442477758.db2.gz IGCJMXQBWSZSFT-SFHVURJKSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](Cc4ccc(-c5nn[n-]n5)cc4)C3)n2)cc1 ZINC000826519058 1442477760 /nfs/dbraw/zinc/47/77/60/1442477760.db2.gz IGCJMXQBWSZSFT-SFHVURJKSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](Cc4ccc(-c5nn[n-]n5)cc4)C3)n2)cc1 ZINC000826519058 1442477764 /nfs/dbraw/zinc/47/77/64/1442477764.db2.gz IGCJMXQBWSZSFT-SFHVURJKSA-N 0 1 386.463 3.031 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820137659 1442480409 /nfs/dbraw/zinc/48/04/09/1442480409.db2.gz NERODAVIDQBPFH-CQSZACIVSA-N 0 1 379.468 3.247 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000826349523 1442481063 /nfs/dbraw/zinc/48/10/63/1442481063.db2.gz KTYGKNAMZQEWKQ-VIFPVBQESA-N 0 1 392.435 3.113 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000822239874 1443065801 /nfs/dbraw/zinc/06/58/01/1443065801.db2.gz IRBNEMXYJFTEAD-CYBMUJFWSA-N 0 1 384.871 3.335 20 0 GGADMN Cc1cccc2c(N[C@@H]3CCOC4(CCSCC4)C3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822335895 1443074839 /nfs/dbraw/zinc/07/48/39/1443074839.db2.gz NDFRUQWOTZPVSU-CQSZACIVSA-N 0 1 396.520 3.002 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736267249 1443082410 /nfs/dbraw/zinc/08/24/10/1443082410.db2.gz MLYCXCDPWXLOKZ-HZPDHXFCSA-N 0 1 399.568 3.150 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736267249 1443082415 /nfs/dbraw/zinc/08/24/15/1443082415.db2.gz MLYCXCDPWXLOKZ-HZPDHXFCSA-N 0 1 399.568 3.150 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736267249 1443082421 /nfs/dbraw/zinc/08/24/21/1443082421.db2.gz MLYCXCDPWXLOKZ-HZPDHXFCSA-N 0 1 399.568 3.150 20 0 GGADMN Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360194 1443086664 /nfs/dbraw/zinc/08/66/64/1443086664.db2.gz AFVZBXVYEVOQRT-UHFFFAOYSA-N 0 1 385.475 3.432 20 0 GGADMN C[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000736285486 1443088817 /nfs/dbraw/zinc/08/88/17/1443088817.db2.gz KDSJQKUZYSXQJK-MGPUTAFESA-N 0 1 397.454 3.237 20 0 GGADMN C[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000736285486 1443088822 /nfs/dbraw/zinc/08/88/22/1443088822.db2.gz KDSJQKUZYSXQJK-MGPUTAFESA-N 0 1 397.454 3.237 20 0 GGADMN COc1ccc(OC)c(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826211003 1443095637 /nfs/dbraw/zinc/09/56/37/1443095637.db2.gz MEEMNAWLCINTMU-LJQANCHMSA-N 0 1 379.464 3.094 20 0 GGADMN COc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826194560 1443096929 /nfs/dbraw/zinc/09/69/29/1443096929.db2.gz PLSJOLJEQZYZLR-UHFFFAOYSA-N 0 1 393.491 3.099 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000826519965 1443102432 /nfs/dbraw/zinc/10/24/32/1443102432.db2.gz WCFFSNUUGDFKTA-QGZVFWFLSA-N 0 1 392.511 3.412 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000826519965 1443102437 /nfs/dbraw/zinc/10/24/37/1443102437.db2.gz WCFFSNUUGDFKTA-QGZVFWFLSA-N 0 1 392.511 3.412 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000826519965 1443102440 /nfs/dbraw/zinc/10/24/40/1443102440.db2.gz WCFFSNUUGDFKTA-QGZVFWFLSA-N 0 1 392.511 3.412 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419594 1443104606 /nfs/dbraw/zinc/10/46/06/1443104606.db2.gz IKYYXOHEQRLBAQ-SJKOYZFVSA-N 0 1 391.397 3.140 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826373504 1443105700 /nfs/dbraw/zinc/10/57/00/1443105700.db2.gz OPKUBERRJFKMEU-MRXNPFEDSA-N 0 1 377.427 3.020 20 0 GGADMN O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000823421963 1443108582 /nfs/dbraw/zinc/10/85/82/1443108582.db2.gz LGHIAPHIUSFIDJ-IBGZPJMESA-N 0 1 395.438 3.104 20 0 GGADMN Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[N@H+](C(C)(C)C)CC3)c2c1 ZINC000822195649 1443109103 /nfs/dbraw/zinc/10/91/03/1443109103.db2.gz ZFIQSSJSDQIDRQ-UHFFFAOYSA-N 0 1 379.512 3.342 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[N@@H+](C(C)(C)C)CC3)c2c1 ZINC000822195649 1443109104 /nfs/dbraw/zinc/10/91/04/1443109104.db2.gz ZFIQSSJSDQIDRQ-UHFFFAOYSA-N 0 1 379.512 3.342 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[N@H+](C(C)(C)C)CC3)c2c1 ZINC000822195649 1443109105 /nfs/dbraw/zinc/10/91/05/1443109105.db2.gz ZFIQSSJSDQIDRQ-UHFFFAOYSA-N 0 1 379.512 3.342 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000737147712 1443112390 /nfs/dbraw/zinc/11/23/90/1443112390.db2.gz NXZIGQGMWQEEEZ-GOSISDBHSA-N 0 1 379.464 3.481 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826510136 1443119774 /nfs/dbraw/zinc/11/97/74/1443119774.db2.gz ZNLUMVQVUOEIDN-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826510136 1443119777 /nfs/dbraw/zinc/11/97/77/1443119777.db2.gz ZNLUMVQVUOEIDN-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826510136 1443119781 /nfs/dbraw/zinc/11/97/81/1443119781.db2.gz ZNLUMVQVUOEIDN-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1)C(C)C ZINC000821220640 1443120447 /nfs/dbraw/zinc/12/04/47/1443120447.db2.gz CYHMGTDIDKCMEQ-UHFFFAOYSA-N 0 1 382.443 3.488 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1)C(C)C ZINC000821220640 1443120449 /nfs/dbraw/zinc/12/04/49/1443120449.db2.gz CYHMGTDIDKCMEQ-UHFFFAOYSA-N 0 1 382.443 3.488 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1)C(C)C ZINC000821220640 1443120451 /nfs/dbraw/zinc/12/04/51/1443120451.db2.gz CYHMGTDIDKCMEQ-UHFFFAOYSA-N 0 1 382.443 3.488 20 0 GGADMN Cc1noc(C)c1C[C@@H](C)Nc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc12 ZINC000822195172 1443121210 /nfs/dbraw/zinc/12/12/10/1443121210.db2.gz JCOWMVLHUYOCAA-GFCCVEGCSA-N 0 1 377.452 3.102 20 0 GGADMN Clc1cccc(CC[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826353443 1443122904 /nfs/dbraw/zinc/12/29/04/1443122904.db2.gz PKPPMXZDLQTNDL-UHFFFAOYSA-N 0 1 396.926 3.317 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000822232145 1443135690 /nfs/dbraw/zinc/13/56/90/1443135690.db2.gz VDEPOYHWWCDPKN-UTKZUKDTSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)[C@H](C)CO2)c1 ZINC000822232145 1443135693 /nfs/dbraw/zinc/13/56/93/1443135693.db2.gz VDEPOYHWWCDPKN-UTKZUKDTSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccc2oc(N3CCC[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)CC3)nc2c1 ZINC000737381509 1443136044 /nfs/dbraw/zinc/13/60/44/1443136044.db2.gz XVCNEWBNZKJFRB-UHFFFAOYSA-N 0 1 389.463 3.029 20 0 GGADMN Cc1ccc2oc(N3CCC[N@H+](Cc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000737381509 1443136051 /nfs/dbraw/zinc/13/60/51/1443136051.db2.gz XVCNEWBNZKJFRB-UHFFFAOYSA-N 0 1 389.463 3.029 20 0 GGADMN Cc1ccc2oc(N3CCC[N@@H+](Cc4ccc(-c5nn[n-]n5)cc4)CC3)nc2c1 ZINC000737381509 1443136055 /nfs/dbraw/zinc/13/60/55/1443136055.db2.gz XVCNEWBNZKJFRB-UHFFFAOYSA-N 0 1 389.463 3.029 20 0 GGADMN CC(C)(CCc1ccccc1)[NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819980903 1443139206 /nfs/dbraw/zinc/13/92/06/1443139206.db2.gz INXQJTNNRRYXID-UHFFFAOYSA-N 0 1 378.480 3.196 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)C2)cc1 ZINC000822723915 1443141442 /nfs/dbraw/zinc/14/14/42/1443141442.db2.gz SMDOFQGUSURBGP-ZDUSSCGKSA-N 0 1 394.426 3.316 20 0 GGADMN CCc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000821486337 1443151485 /nfs/dbraw/zinc/15/14/85/1443151485.db2.gz CUVQNIZIKKFJBJ-UHFFFAOYSA-N 0 1 394.479 3.242 20 0 GGADMN CCc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000821486337 1443151491 /nfs/dbraw/zinc/15/14/91/1443151491.db2.gz CUVQNIZIKKFJBJ-UHFFFAOYSA-N 0 1 394.479 3.242 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821447295 1443158473 /nfs/dbraw/zinc/15/84/73/1443158473.db2.gz IRKIKGRZIFTCRL-OLZOCXBDSA-N 0 1 394.932 3.065 20 0 GGADMN C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000824427046 1443170715 /nfs/dbraw/zinc/17/07/15/1443170715.db2.gz KKGDCKPRCPSCBK-MRXNPFEDSA-N 0 1 394.498 3.364 20 0 GGADMN CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825723190 1443175376 /nfs/dbraw/zinc/17/53/76/1443175376.db2.gz UBDJKUAYSGHVOL-ZDUSSCGKSA-N 0 1 382.443 3.075 20 0 GGADMN COc1ccc([C@H](C)C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826187842 1443178250 /nfs/dbraw/zinc/17/82/50/1443178250.db2.gz GOBZYDALABFLIP-FOIQADDNSA-N 0 1 379.464 3.052 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)Cc1ccc([S@](C)=O)cc1 ZINC000822331617 1443195563 /nfs/dbraw/zinc/19/55/63/1443195563.db2.gz IIYNBBPQLTUZQZ-NDEPHWFRSA-N 0 1 392.488 3.097 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000824052144 1443198842 /nfs/dbraw/zinc/19/88/42/1443198842.db2.gz LOTPZECMNXCYND-STQMWFEESA-N 0 1 386.525 3.032 20 0 GGADMN Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737245984 1443214061 /nfs/dbraw/zinc/21/40/61/1443214061.db2.gz ILRNAMAFMGBRPW-UHFFFAOYSA-N 0 1 382.443 3.002 20 0 GGADMN Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000737245984 1443214065 /nfs/dbraw/zinc/21/40/65/1443214065.db2.gz ILRNAMAFMGBRPW-UHFFFAOYSA-N 0 1 382.443 3.002 20 0 GGADMN Cc1cc[nH+]c(N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826309659 1443217545 /nfs/dbraw/zinc/21/75/45/1443217545.db2.gz XDDQKLYZNLAATG-UHFFFAOYSA-N 0 1 393.278 3.266 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(C)ccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000821813269 1443221160 /nfs/dbraw/zinc/22/11/60/1443221160.db2.gz COXUGIOHYWSRHJ-UHFFFAOYSA-N 0 1 375.379 3.075 20 0 GGADMN COc1cc(C[N@@H+](CCCOc2cccc(-c3nn[n-]n3)c2)C2CC2)ccc1O ZINC000826179275 1443224745 /nfs/dbraw/zinc/22/47/45/1443224745.db2.gz HPKYSQTWAUIAEH-UHFFFAOYSA-N 0 1 395.463 3.014 20 0 GGADMN COc1cc(C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1O ZINC000826179275 1443224750 /nfs/dbraw/zinc/22/47/50/1443224750.db2.gz HPKYSQTWAUIAEH-UHFFFAOYSA-N 0 1 395.463 3.014 20 0 GGADMN COc1cc(C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C2CC2)ccc1O ZINC000826179275 1443224753 /nfs/dbraw/zinc/22/47/53/1443224753.db2.gz HPKYSQTWAUIAEH-UHFFFAOYSA-N 0 1 395.463 3.014 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000736232962 1443230278 /nfs/dbraw/zinc/23/02/78/1443230278.db2.gz DQNICBWLDUJAHQ-JKIFEVAISA-N 0 1 394.454 3.211 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000736056285 1443268024 /nfs/dbraw/zinc/26/80/24/1443268024.db2.gz NCYJGAQIHZUKEE-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547829 1443268949 /nfs/dbraw/zinc/26/89/49/1443268949.db2.gz SQASRICZVYAFRJ-YOEHRIQHSA-N 0 1 398.461 3.460 20 0 GGADMN c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826520738 1443272057 /nfs/dbraw/zinc/27/20/57/1443272057.db2.gz QFXUXWQTVRCJBE-UZLBHIALSA-N 0 1 379.464 3.003 20 0 GGADMN CO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826147100 1443277955 /nfs/dbraw/zinc/27/79/55/1443277955.db2.gz NOQVEHYPQFBBEH-LJQANCHMSA-N 0 1 379.464 3.057 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N(C)CCCc2cc(-c3ccc(F)cc3)no2)[nH+]1 ZINC000826274401 1443280258 /nfs/dbraw/zinc/28/02/58/1443280258.db2.gz PZKNMWYHPKGMBM-UHFFFAOYSA-N 0 1 393.426 3.433 20 0 GGADMN C[C@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H](c2ccccc2)O1 ZINC000825000470 1443290495 /nfs/dbraw/zinc/29/04/95/1443290495.db2.gz QVIOPJPZSPXTNX-LIRRHRJNSA-N 0 1 376.464 3.107 20 0 GGADMN C[N@@H+]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000826030017 1443308227 /nfs/dbraw/zinc/30/82/27/1443308227.db2.gz ZPSCIHSPAQPXGF-HUUCEWRRSA-N 0 1 390.278 3.426 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000826030017 1443308231 /nfs/dbraw/zinc/30/82/31/1443308231.db2.gz ZPSCIHSPAQPXGF-HUUCEWRRSA-N 0 1 390.278 3.426 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)Cc3ncc(Cl)n3C)c2c1 ZINC000826263751 1443315204 /nfs/dbraw/zinc/31/52/04/1443315204.db2.gz OXOVMKGEGQSATD-UHFFFAOYSA-N 0 1 382.859 3.055 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N(C)Cc3ncc(Cl)n3C)c2c1 ZINC000826263751 1443315207 /nfs/dbraw/zinc/31/52/07/1443315207.db2.gz OXOVMKGEGQSATD-UHFFFAOYSA-N 0 1 382.859 3.055 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276205 1443317085 /nfs/dbraw/zinc/31/70/85/1443317085.db2.gz XNLVTOKRMLVZHW-AEFFLSMTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000826276205 1443317089 /nfs/dbraw/zinc/31/70/89/1443317089.db2.gz XNLVTOKRMLVZHW-AEFFLSMTSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276205 1443317093 /nfs/dbraw/zinc/31/70/93/1443317093.db2.gz XNLVTOKRMLVZHW-AEFFLSMTSA-N 0 1 377.496 3.283 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000823821385 1443317500 /nfs/dbraw/zinc/31/75/00/1443317500.db2.gz TWLIDOXEJUQSOD-INIZCTEOSA-N 0 1 392.301 3.020 20 0 GGADMN C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824627028 1443325204 /nfs/dbraw/zinc/32/52/04/1443325204.db2.gz SNNZYMNTTMPZKE-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(F)cc1 ZINC000822021034 1443330013 /nfs/dbraw/zinc/33/00/13/1443330013.db2.gz SPZAVZWRQRBEMH-OLZOCXBDSA-N 0 1 392.442 3.307 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736213580 1443330908 /nfs/dbraw/zinc/33/09/08/1443330908.db2.gz KKEOEOOCKQJSFH-LJQANCHMSA-N 0 1 379.464 3.098 20 0 GGADMN FC(F)Oc1ccc([C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826369778 1443330989 /nfs/dbraw/zinc/33/09/89/1443330989.db2.gz QDAQLLVVYPAJRC-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1ccc([C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000826369778 1443330996 /nfs/dbraw/zinc/33/09/96/1443330996.db2.gz QDAQLLVVYPAJRC-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736213580 1443330914 /nfs/dbraw/zinc/33/09/14/1443330914.db2.gz KKEOEOOCKQJSFH-LJQANCHMSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000824584863 1443341119 /nfs/dbraw/zinc/34/11/19/1443341119.db2.gz ILYNDYFTJOAQGY-ZDUSSCGKSA-N 0 1 384.509 3.213 20 0 GGADMN Cc1ccnc(N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826312728 1443358206 /nfs/dbraw/zinc/35/82/06/1443358206.db2.gz NAVGHEPINVYNTN-AEFFLSMTSA-N 0 1 399.449 3.484 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1cccc(F)c1 ZINC000735551780 1443370410 /nfs/dbraw/zinc/37/04/10/1443370410.db2.gz UZKQLXAOJAGWJR-NSHDSACASA-N 0 1 388.834 3.118 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC000735551780 1443370414 /nfs/dbraw/zinc/37/04/14/1443370414.db2.gz UZKQLXAOJAGWJR-NSHDSACASA-N 0 1 388.834 3.118 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000821809904 1443372557 /nfs/dbraw/zinc/37/25/57/1443372557.db2.gz UAEXAXVUUQDIEH-GHTZIAJQSA-N 0 1 393.491 3.441 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC000823675745 1443373431 /nfs/dbraw/zinc/37/34/31/1443373431.db2.gz ZCDKYYCSJFPYOY-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823675745 1443373436 /nfs/dbraw/zinc/37/34/36/1443373436.db2.gz ZCDKYYCSJFPYOY-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823675745 1443373442 /nfs/dbraw/zinc/37/34/42/1443373442.db2.gz ZCDKYYCSJFPYOY-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC000823672148 1443383234 /nfs/dbraw/zinc/38/32/34/1443383234.db2.gz BKISPEZOFMNHSW-ICSRJNTNSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672148 1443383238 /nfs/dbraw/zinc/38/32/38/1443383238.db2.gz BKISPEZOFMNHSW-ICSRJNTNSA-N 0 1 388.475 3.208 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC000823672148 1443383239 /nfs/dbraw/zinc/38/32/39/1443383239.db2.gz BKISPEZOFMNHSW-ICSRJNTNSA-N 0 1 388.475 3.208 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822718505 1443386237 /nfs/dbraw/zinc/38/62/37/1443386237.db2.gz KNKMKSDCELBASK-XJKSGUPXSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822718505 1443386242 /nfs/dbraw/zinc/38/62/42/1443386242.db2.gz KNKMKSDCELBASK-XJKSGUPXSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822718505 1443386247 /nfs/dbraw/zinc/38/62/47/1443386247.db2.gz KNKMKSDCELBASK-XJKSGUPXSA-N 0 1 392.429 3.339 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000826250346 1443401374 /nfs/dbraw/zinc/40/13/74/1443401374.db2.gz WMOQLDMFKLTCFO-UHFFFAOYSA-N 0 1 390.491 3.456 20 0 GGADMN COc1cccc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826217154 1443410580 /nfs/dbraw/zinc/41/05/80/1443410580.db2.gz ZUPRGGRZJVIPIR-HUUCEWRRSA-N 0 1 396.470 3.192 20 0 GGADMN CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820728777 1443423742 /nfs/dbraw/zinc/42/37/42/1443423742.db2.gz YASXUFDCRVHFMB-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000826182796 1443450164 /nfs/dbraw/zinc/45/01/64/1443450164.db2.gz UKVWOPZJZALAFO-YWZLYKJASA-N 0 1 379.464 3.146 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000826182796 1443450166 /nfs/dbraw/zinc/45/01/66/1443450166.db2.gz UKVWOPZJZALAFO-YWZLYKJASA-N 0 1 379.464 3.146 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](Cc2cccs2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822558808 1443453738 /nfs/dbraw/zinc/45/37/38/1443453738.db2.gz SKEFYGWNWLSQEM-UHFFFAOYSA-N 0 1 390.538 3.456 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](Cc2cccs2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822558808 1443453741 /nfs/dbraw/zinc/45/37/41/1443453741.db2.gz SKEFYGWNWLSQEM-UHFFFAOYSA-N 0 1 390.538 3.456 20 0 GGADMN CC(C)[N@H+]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297614 1443456600 /nfs/dbraw/zinc/45/66/00/1443456600.db2.gz XSKODUIOVQMWNL-DLBZAZTESA-N 0 1 385.422 3.176 20 0 GGADMN CC(C)(CCCO)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824152749 1443457174 /nfs/dbraw/zinc/45/71/74/1443457174.db2.gz LTBBIUJPGSLWDW-UHFFFAOYSA-N 0 1 395.507 3.334 20 0 GGADMN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824584933 1443459012 /nfs/dbraw/zinc/45/90/12/1443459012.db2.gz JXESTIVIVUSBKE-OAHLLOKOSA-N 0 1 399.520 3.009 20 0 GGADMN CCC[NH+](CCC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736473826 1443473825 /nfs/dbraw/zinc/47/38/25/1443473825.db2.gz SMIOYSSGLPBJPR-UHFFFAOYSA-N 0 1 376.530 3.258 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547701 1443477146 /nfs/dbraw/zinc/47/71/46/1443477146.db2.gz RXZXEPWCYSEQCF-YJBOKZPZSA-N 0 1 380.471 3.321 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820915279 1443481823 /nfs/dbraw/zinc/48/18/23/1443481823.db2.gz UUYQIOKOKOEEOS-IBGZPJMESA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820915279 1443481825 /nfs/dbraw/zinc/48/18/25/1443481825.db2.gz UUYQIOKOKOEEOS-IBGZPJMESA-N 0 1 378.480 3.148 20 0 GGADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820915279 1443481827 /nfs/dbraw/zinc/48/18/27/1443481827.db2.gz UUYQIOKOKOEEOS-IBGZPJMESA-N 0 1 378.480 3.148 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000820420470 1443484791 /nfs/dbraw/zinc/48/47/91/1443484791.db2.gz RKHDQZKUZDMRPF-CQSZACIVSA-N 0 1 376.420 3.251 20 0 GGADMN FC(F)(F)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-c1nnn[n-]1 ZINC000822723260 1443488888 /nfs/dbraw/zinc/48/88/88/1443488888.db2.gz BNSAAIANCVKAPI-PXAZEXFGSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1-c1nn[n-]n1 ZINC000822723260 1443488889 /nfs/dbraw/zinc/48/88/89/1443488889.db2.gz BNSAAIANCVKAPI-PXAZEXFGSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-c1nn[n-]n1 ZINC000822723260 1443488891 /nfs/dbraw/zinc/48/88/91/1443488891.db2.gz BNSAAIANCVKAPI-PXAZEXFGSA-N 0 1 392.429 3.339 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3nc(C)c4ccccc4n3)c2c1 ZINC000822196420 1443490433 /nfs/dbraw/zinc/49/04/33/1443490433.db2.gz ITYKHHKVKRSXQL-UHFFFAOYSA-N 0 1 396.458 3.317 20 0 GGADMN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825014878 1443497348 /nfs/dbraw/zinc/49/73/48/1443497348.db2.gz YFMPCJYCBKEIAO-BTYIYWSLSA-N 0 1 379.464 3.103 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H]1CCCOC1 ZINC000825981643 1443501489 /nfs/dbraw/zinc/50/14/89/1443501489.db2.gz VYRLIAUZELXHJD-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCCOC1 ZINC000825981643 1443501491 /nfs/dbraw/zinc/50/14/91/1443501491.db2.gz VYRLIAUZELXHJD-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H]1CCCOC1 ZINC000825981643 1443501495 /nfs/dbraw/zinc/50/14/95/1443501495.db2.gz VYRLIAUZELXHJD-SFHVURJKSA-N 0 1 393.491 3.304 20 0 GGADMN Clc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000822581749 1443502020 /nfs/dbraw/zinc/50/20/20/1443502020.db2.gz NDNSLLIYONGNSK-CQSZACIVSA-N 0 1 383.887 3.133 20 0 GGADMN O[C@@H](c1ccccc1)C1(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826504854 1443506420 /nfs/dbraw/zinc/50/64/20/1443506420.db2.gz GREJHQCCOPCGGS-PMACEKPBSA-N 0 1 375.476 3.348 20 0 GGADMN CC(C)C[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C[C@H](O)c1ccc(F)cc1 ZINC000820087641 1443512700 /nfs/dbraw/zinc/51/27/00/1443512700.db2.gz VCUAZAGBEDRJET-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1 ZINC000820087641 1443512704 /nfs/dbraw/zinc/51/27/04/1443512704.db2.gz VCUAZAGBEDRJET-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1 ZINC000820087641 1443512706 /nfs/dbraw/zinc/51/27/06/1443512706.db2.gz VCUAZAGBEDRJET-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN O=C(CC[NH2+]C1(c2ccc(F)cc2)CCCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737846166 1443512741 /nfs/dbraw/zinc/51/27/41/1443512741.db2.gz GPAHXZNPWKNJRI-UHFFFAOYSA-N 0 1 394.454 3.394 20 0 GGADMN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826146228 1443516412 /nfs/dbraw/zinc/51/64/12/1443516412.db2.gz SDKKKBURXSGHEF-FPOVZHCZSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@H](O)C[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000824697614 1443528003 /nfs/dbraw/zinc/52/80/03/1443528003.db2.gz DNZQHIPWCONWNF-DLVCFXQMSA-N 0 1 377.492 3.388 20 0 GGADMN C[C@@H]1C[C@@H]1c1ccc(CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)o1 ZINC000824900047 1443534788 /nfs/dbraw/zinc/53/47/88/1443534788.db2.gz SCSHJNGYYJPPJU-ACJLOTCBSA-N 0 1 389.463 3.395 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820683962 1443549196 /nfs/dbraw/zinc/54/91/96/1443549196.db2.gz KCMKFADDBKEXMI-BETUJISGSA-N 0 1 388.541 3.399 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820683962 1443549198 /nfs/dbraw/zinc/54/91/98/1443549198.db2.gz KCMKFADDBKEXMI-BETUJISGSA-N 0 1 388.541 3.399 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820683962 1443549199 /nfs/dbraw/zinc/54/91/99/1443549199.db2.gz KCMKFADDBKEXMI-BETUJISGSA-N 0 1 388.541 3.399 20 0 GGADMN CCc1nc([C@H](C)NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000825744550 1443550453 /nfs/dbraw/zinc/55/04/53/1443550453.db2.gz CUWDWDZASVEETF-AWEZNQCLSA-N 0 1 397.552 3.201 20 0 GGADMN Brc1cccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCC2)c1 ZINC000819688836 1443553603 /nfs/dbraw/zinc/55/36/03/1443553603.db2.gz OBZJWRQWFUFFQF-UHFFFAOYSA-N 0 1 388.269 3.434 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@H](CC1CCCC1)c1ccccc1)C2 ZINC000826520721 1443554409 /nfs/dbraw/zinc/55/44/09/1443554409.db2.gz PYWJLPJNBFDRPD-VQIMIIECSA-N 0 1 392.511 3.016 20 0 GGADMN Cc1oc(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826341211 1443556511 /nfs/dbraw/zinc/55/65/11/1443556511.db2.gz AJGONPMZSAVXBO-KRWDZBQOSA-N 0 1 392.463 3.167 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826341211 1443556515 /nfs/dbraw/zinc/55/65/15/1443556515.db2.gz AJGONPMZSAVXBO-KRWDZBQOSA-N 0 1 392.463 3.167 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000826341211 1443556517 /nfs/dbraw/zinc/55/65/17/1443556517.db2.gz AJGONPMZSAVXBO-KRWDZBQOSA-N 0 1 392.463 3.167 20 0 GGADMN Cn1nc(-c2ccccc2)c(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)c1Cl ZINC000822705186 1443562597 /nfs/dbraw/zinc/56/25/97/1443562597.db2.gz ZBGFNZOMJAKNNK-UHFFFAOYSA-N 0 1 397.845 3.350 20 0 GGADMN COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3F)c21 ZINC000826217251 1443564593 /nfs/dbraw/zinc/56/45/93/1443564593.db2.gz DQRRXXARSQNTRP-LBPRGKRZSA-N 0 1 380.427 3.389 20 0 GGADMN Clc1cccc(CN2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822586446 1443567886 /nfs/dbraw/zinc/56/78/86/1443567886.db2.gz YXUWMKDZTUNDGN-INIZCTEOSA-N 0 1 386.887 3.257 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000735561528 1443571661 /nfs/dbraw/zinc/57/16/61/1443571661.db2.gz LHIZZOSSZIKBHM-WMZOPIPTSA-N 0 1 390.491 3.148 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964770 1443575079 /nfs/dbraw/zinc/57/50/79/1443575079.db2.gz PANNOZYZOKRDIA-QGZVFWFLSA-N 0 1 382.855 3.296 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964770 1443575083 /nfs/dbraw/zinc/57/50/83/1443575083.db2.gz PANNOZYZOKRDIA-QGZVFWFLSA-N 0 1 382.855 3.296 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826369680 1443600342 /nfs/dbraw/zinc/60/03/42/1443600342.db2.gz MIABIEXHRSQWMZ-ZIAGYGMSSA-N 0 1 393.438 3.107 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000736017927 1443612325 /nfs/dbraw/zinc/61/23/25/1443612325.db2.gz RZUVNZNQBOTYSC-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000736017927 1443612329 /nfs/dbraw/zinc/61/23/29/1443612329.db2.gz RZUVNZNQBOTYSC-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000736017927 1443612334 /nfs/dbraw/zinc/61/23/34/1443612334.db2.gz RZUVNZNQBOTYSC-ZDUSSCGKSA-N 0 1 399.886 3.162 20 0 GGADMN Cc1ccccc1C1(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826307250 1443619244 /nfs/dbraw/zinc/61/92/44/1443619244.db2.gz ZXYCOZAOOVBCGK-UHFFFAOYSA-N 0 1 399.502 3.397 20 0 GGADMN CCCCC[C@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000821051208 1443621518 /nfs/dbraw/zinc/62/15/18/1443621518.db2.gz ZLNVDQJJGHCILJ-SFHVURJKSA-N 0 1 380.500 3.436 20 0 GGADMN COc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821716996 1443622370 /nfs/dbraw/zinc/62/23/70/1443622370.db2.gz JFRMNXLOCKIZEM-MOPGFXCFSA-N 0 1 391.475 3.439 20 0 GGADMN C[C@@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21)c1ccncc1 ZINC000820274572 1443623143 /nfs/dbraw/zinc/62/31/43/1443623143.db2.gz IIUSKRLMNNQYBU-NSHDSACASA-N 0 1 397.389 3.049 20 0 GGADMN COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821694659 1443624872 /nfs/dbraw/zinc/62/48/72/1443624872.db2.gz XBWCTDKLQOPKEU-AWEZNQCLSA-N 0 1 399.520 3.465 20 0 GGADMN CC(C)C[NH+]1CCC(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824261172 1443626158 /nfs/dbraw/zinc/62/61/58/1443626158.db2.gz CSJWSOQQTNSDQG-UHFFFAOYSA-N 0 1 397.310 3.024 20 0 GGADMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1F ZINC000824192955 1443632971 /nfs/dbraw/zinc/63/29/71/1443632971.db2.gz PHSSAXTXNOMFMJ-LJQANCHMSA-N 0 1 392.479 3.035 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276207 1443636887 /nfs/dbraw/zinc/63/68/87/1443636887.db2.gz XNLVTOKRMLVZHW-SJLPKXTDSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000826276207 1443636889 /nfs/dbraw/zinc/63/68/89/1443636889.db2.gz XNLVTOKRMLVZHW-SJLPKXTDSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276207 1443636890 /nfs/dbraw/zinc/63/68/90/1443636890.db2.gz XNLVTOKRMLVZHW-SJLPKXTDSA-N 0 1 377.496 3.283 20 0 GGADMN Fc1c(C[N@@H+]2CC=C(c3cnc4[nH]cccc3-4)CC2)cccc1-c1nnn[n-]1 ZINC000826370249 1443642859 /nfs/dbraw/zinc/64/28/59/1443642859.db2.gz KBPVTGQJSASGNZ-UHFFFAOYSA-N 0 1 375.411 3.171 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000738152709 1443647725 /nfs/dbraw/zinc/64/77/25/1443647725.db2.gz YOEJUEAOGPUIMZ-LJQANCHMSA-N 0 1 391.479 3.215 20 0 GGADMN O[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738390237 1443649613 /nfs/dbraw/zinc/64/96/13/1443649613.db2.gz QQNUKNSPHWTDBX-UTKZUKDTSA-N 0 1 393.491 3.086 20 0 GGADMN CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824323930 1443658287 /nfs/dbraw/zinc/65/82/87/1443658287.db2.gz DKWWWZNSHQPHAC-SFTDATJTSA-N 0 1 393.491 3.355 20 0 GGADMN C[C@H](CCn1cccn1)[NH2+]Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824414289 1443663685 /nfs/dbraw/zinc/66/36/85/1443663685.db2.gz YTFOUOIBWJXJSW-CQSZACIVSA-N 0 1 379.493 3.360 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264370 1443702922 /nfs/dbraw/zinc/70/29/22/1443702922.db2.gz LZAYQTDWSZYLOR-DLBZAZTESA-N 0 1 390.491 3.300 20 0 GGADMN Fc1ccc(CC[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000822766630 1443705650 /nfs/dbraw/zinc/70/56/50/1443705650.db2.gz LQRKVKJJESLPGE-UHFFFAOYSA-N 0 1 385.418 3.231 20 0 GGADMN C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2sccc2C1 ZINC000824571819 1443722652 /nfs/dbraw/zinc/72/26/52/1443722652.db2.gz SADSEYXIBDBTBS-OLZOCXBDSA-N 0 1 386.500 3.165 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000821652795 1443743324 /nfs/dbraw/zinc/74/33/24/1443743324.db2.gz ZWCRZMAQZZHBEN-FQEVSTJZSA-N 0 1 391.475 3.036 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194548 1443746210 /nfs/dbraw/zinc/74/62/10/1443746210.db2.gz AJNJBXCQNSMZRD-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194548 1443746213 /nfs/dbraw/zinc/74/62/13/1443746213.db2.gz AJNJBXCQNSMZRD-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194548 1443746216 /nfs/dbraw/zinc/74/62/16/1443746216.db2.gz AJNJBXCQNSMZRD-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000826168292 1443749694 /nfs/dbraw/zinc/74/96/94/1443749694.db2.gz IXKPIXLXYIRURT-HXUWFJFHSA-N 0 1 393.491 3.099 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577287 1443756967 /nfs/dbraw/zinc/75/69/67/1443756967.db2.gz JGBPOSVJFKABQS-HZPDHXFCSA-N 0 1 382.537 3.491 20 0 GGADMN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039793 1443759225 /nfs/dbraw/zinc/75/92/25/1443759225.db2.gz HVUFQCVJTXPZAK-YESZJQIVSA-N 0 1 394.523 3.134 20 0 GGADMN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039793 1443759231 /nfs/dbraw/zinc/75/92/31/1443759231.db2.gz HVUFQCVJTXPZAK-YESZJQIVSA-N 0 1 394.523 3.134 20 0 GGADMN C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736822309 1443768039 /nfs/dbraw/zinc/76/80/39/1443768039.db2.gz LGSWXNRIUPRPHF-UHFFFAOYSA-N 0 1 382.374 3.432 20 0 GGADMN C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736822309 1443768041 /nfs/dbraw/zinc/76/80/41/1443768041.db2.gz LGSWXNRIUPRPHF-UHFFFAOYSA-N 0 1 382.374 3.432 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824995281 1443771494 /nfs/dbraw/zinc/77/14/94/1443771494.db2.gz YDDYVZSJGSKSEB-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824995281 1443771497 /nfs/dbraw/zinc/77/14/97/1443771497.db2.gz YDDYVZSJGSKSEB-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824995281 1443771499 /nfs/dbraw/zinc/77/14/99/1443771499.db2.gz YDDYVZSJGSKSEB-LBPRGKRZSA-N 0 1 389.916 3.077 20 0 GGADMN CC(=O)Nc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)c1 ZINC000819827057 1443784502 /nfs/dbraw/zinc/78/45/02/1443784502.db2.gz QLGPOASWVKNFRW-UHFFFAOYSA-N 0 1 387.447 3.024 20 0 GGADMN c1coc([C@H](C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)N2CCCC2)c1 ZINC000826526328 1443785172 /nfs/dbraw/zinc/78/51/72/1443785172.db2.gz UNOUBFOMHCMTON-OALUTQOASA-N 0 1 378.480 3.264 20 0 GGADMN Brc1ccc(C2([NH2+]Cc3ccnc(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000823827166 1443785792 /nfs/dbraw/zinc/78/57/92/1443785792.db2.gz VRRMRYHTXXFNBW-UHFFFAOYSA-N 0 1 385.269 3.193 20 0 GGADMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736568826 1443786483 /nfs/dbraw/zinc/78/64/83/1443786483.db2.gz DARLXFFHFQBWTL-INIZCTEOSA-N 0 1 390.491 3.138 20 0 GGADMN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736568826 1443786487 /nfs/dbraw/zinc/78/64/87/1443786487.db2.gz DARLXFFHFQBWTL-INIZCTEOSA-N 0 1 390.491 3.138 20 0 GGADMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736568826 1443786491 /nfs/dbraw/zinc/78/64/91/1443786491.db2.gz DARLXFFHFQBWTL-INIZCTEOSA-N 0 1 390.491 3.138 20 0 GGADMN Clc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826353231 1443789212 /nfs/dbraw/zinc/78/92/12/1443789212.db2.gz HBUXKLAPXWVFIN-INIZCTEOSA-N 0 1 393.882 3.375 20 0 GGADMN C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824625693 1443790672 /nfs/dbraw/zinc/79/06/72/1443790672.db2.gz IKAGVBDDLNYFIR-NSHDSACASA-N 0 1 398.833 3.091 20 0 GGADMN CCCCOc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000736463031 1443796482 /nfs/dbraw/zinc/79/64/82/1443796482.db2.gz JXCHSUVCDZWNSU-UHFFFAOYSA-N 0 1 385.443 3.483 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000823675434 1443806449 /nfs/dbraw/zinc/80/64/49/1443806449.db2.gz WWMNRJPILVHFHB-MAUKXSAKSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675434 1443806450 /nfs/dbraw/zinc/80/64/50/1443806450.db2.gz WWMNRJPILVHFHB-MAUKXSAKSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000823675434 1443806453 /nfs/dbraw/zinc/80/64/53/1443806453.db2.gz WWMNRJPILVHFHB-MAUKXSAKSA-N 0 1 385.443 3.467 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000824617170 1443806470 /nfs/dbraw/zinc/80/64/70/1443806470.db2.gz DZGQTCIQMDYXIN-WMLDXEAASA-N 0 1 386.500 3.134 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2)cc1 ZINC000738432095 1443806998 /nfs/dbraw/zinc/80/69/98/1443806998.db2.gz BGFZZJQZEUFKQH-KRWDZBQOSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000738432095 1443807001 /nfs/dbraw/zinc/80/70/01/1443807001.db2.gz BGFZZJQZEUFKQH-KRWDZBQOSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2)cc1 ZINC000738432095 1443807003 /nfs/dbraw/zinc/80/70/03/1443807003.db2.gz BGFZZJQZEUFKQH-KRWDZBQOSA-N 0 1 385.475 3.491 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853329 1443815350 /nfs/dbraw/zinc/81/53/50/1443815350.db2.gz APCJUJBKYNMXGR-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853329 1443815354 /nfs/dbraw/zinc/81/53/54/1443815354.db2.gz APCJUJBKYNMXGR-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853329 1443815356 /nfs/dbraw/zinc/81/53/56/1443815356.db2.gz APCJUJBKYNMXGR-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820759024 1443816650 /nfs/dbraw/zinc/81/66/50/1443816650.db2.gz GXRMXEKYHUUAPC-HOTGVXAUSA-N 0 1 394.498 3.252 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680908 1443822166 /nfs/dbraw/zinc/82/21/66/1443822166.db2.gz BHSQRRSMZHCDIK-WIYYLYMNSA-N 0 1 388.475 3.261 20 0 GGADMN O[C@H](C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680908 1443822170 /nfs/dbraw/zinc/82/21/70/1443822170.db2.gz BHSQRRSMZHCDIK-WIYYLYMNSA-N 0 1 388.475 3.261 20 0 GGADMN O[C@H](C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680908 1443822172 /nfs/dbraw/zinc/82/21/72/1443822172.db2.gz BHSQRRSMZHCDIK-WIYYLYMNSA-N 0 1 388.475 3.261 20 0 GGADMN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736205510 1443841565 /nfs/dbraw/zinc/84/15/65/1443841565.db2.gz XJGJHHLBDDJWHF-HNNXBMFYSA-N 0 1 391.479 3.214 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554978 1443848250 /nfs/dbraw/zinc/84/82/50/1443848250.db2.gz UEAFUEYZQSCDPH-AAEUAGOBSA-N 0 1 388.397 3.214 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825068741 1443854705 /nfs/dbraw/zinc/85/47/05/1443854705.db2.gz WDIODPFAEAUWTE-UONOGXRCSA-N 0 1 396.470 3.385 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(COc2cccc(C[NH2+]CCc3cccnc3)c2)c1 ZINC000738445676 1443859283 /nfs/dbraw/zinc/85/92/83/1443859283.db2.gz MHRQNPUCNQBASM-UHFFFAOYSA-N 0 1 386.459 3.173 20 0 GGADMN C[C@@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000736267859 1443860649 /nfs/dbraw/zinc/86/06/49/1443860649.db2.gz PSIPFVZCCNZOJC-NEPJUHHUSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000736267859 1443860654 /nfs/dbraw/zinc/86/06/54/1443860654.db2.gz PSIPFVZCCNZOJC-NEPJUHHUSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000736267859 1443860659 /nfs/dbraw/zinc/86/06/59/1443860659.db2.gz PSIPFVZCCNZOJC-NEPJUHHUSA-N 0 1 393.948 3.069 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680904 1443867148 /nfs/dbraw/zinc/86/71/48/1443867148.db2.gz BHSQRRSMZHCDIK-NQIIRXRSSA-N 0 1 388.475 3.261 20 0 GGADMN O[C@@H](C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680904 1443867150 /nfs/dbraw/zinc/86/71/50/1443867150.db2.gz BHSQRRSMZHCDIK-NQIIRXRSSA-N 0 1 388.475 3.261 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823680904 1443867154 /nfs/dbraw/zinc/86/71/54/1443867154.db2.gz BHSQRRSMZHCDIK-NQIIRXRSSA-N 0 1 388.475 3.261 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000820555049 1443872515 /nfs/dbraw/zinc/87/25/15/1443872515.db2.gz FGJYVDUAQQPQMB-LLVKDONJSA-N 0 1 375.274 3.161 20 0 GGADMN Clc1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)nc1-c1nn[n-]n1 ZINC000822578346 1443884150 /nfs/dbraw/zinc/88/41/50/1443884150.db2.gz HNBONJXFEPJGKH-UHFFFAOYSA-N 0 1 387.900 3.208 20 0 GGADMN COC(=O)[C@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644688 1443888770 /nfs/dbraw/zinc/88/87/70/1443888770.db2.gz GMDOCWCPYMHMQD-LJQANCHMSA-N 0 1 392.463 3.183 20 0 GGADMN CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[NH+]1CCCC1 ZINC000820893837 1443890626 /nfs/dbraw/zinc/89/06/26/1443890626.db2.gz WWPUBXLNVOYPJS-KXBFYZLASA-N 0 1 399.543 3.128 20 0 GGADMN C[NH+](C)CCOc1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736769863 1443898802 /nfs/dbraw/zinc/89/88/02/1443898802.db2.gz UTPFGZZOTAYCIM-UHFFFAOYSA-N 0 1 386.887 3.115 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1-c1nnn[n-]1)c1ccco1 ZINC000823674533 1443899644 /nfs/dbraw/zinc/89/96/44/1443899644.db2.gz RCUULUXELUQBBL-WMZOPIPTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000823674533 1443899647 /nfs/dbraw/zinc/89/96/47/1443899647.db2.gz RCUULUXELUQBBL-WMZOPIPTSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000823674533 1443899648 /nfs/dbraw/zinc/89/96/48/1443899648.db2.gz RCUULUXELUQBBL-WMZOPIPTSA-N 0 1 385.443 3.467 20 0 GGADMN CCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736688405 1443913039 /nfs/dbraw/zinc/91/30/39/1443913039.db2.gz VSRJMJWOVUEFTR-KRWDZBQOSA-N 0 1 380.452 3.188 20 0 GGADMN c1c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738445406 1443919591 /nfs/dbraw/zinc/91/95/91/1443919591.db2.gz GIBLPOVHZFJRMA-SFHVURJKSA-N 0 1 393.539 3.207 20 0 GGADMN C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820315200 1443932680 /nfs/dbraw/zinc/93/26/80/1443932680.db2.gz MBEWNYKQVSCOCH-YVEFUNNKSA-N 0 1 384.871 3.000 20 0 GGADMN CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735732517 1443935178 /nfs/dbraw/zinc/93/51/78/1443935178.db2.gz ALJLURLFUGHTOJ-MRXNPFEDSA-N 0 1 388.472 3.383 20 0 GGADMN O=C(Nc1ccccc1)C1CCN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CC1 ZINC000738192681 1443937405 /nfs/dbraw/zinc/93/74/05/1443937405.db2.gz WCFDQVAYAGBJRF-UHFFFAOYSA-N 0 1 399.458 3.270 20 0 GGADMN O=C(CCCCNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2)OCc1ccccc1 ZINC000826406221 1443939820 /nfs/dbraw/zinc/93/98/20/1443939820.db2.gz NACIKVPKYYTFNS-UHFFFAOYSA-N 0 1 392.463 3.076 20 0 GGADMN Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(O[C@H]2CCOC2)c1 ZINC000826288701 1443942142 /nfs/dbraw/zinc/94/21/42/1443942142.db2.gz SMMGHFIGNGICLJ-PBHICJAKSA-N 0 1 397.454 3.333 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822558578 1443942613 /nfs/dbraw/zinc/94/26/13/1443942613.db2.gz ROAPCHUVFSEQQS-MRXNPFEDSA-N 0 1 396.520 3.191 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)cc1-c1nn[n-]n1 ZINC000826203089 1443955901 /nfs/dbraw/zinc/95/59/01/1443955901.db2.gz YNCNUSIVEDONIM-SFHVURJKSA-N 0 1 392.507 3.018 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CCOCC1 ZINC000820437740 1443958590 /nfs/dbraw/zinc/95/85/90/1443958590.db2.gz BUWLMXOMGRPJPV-MRXNPFEDSA-N 0 1 393.491 3.350 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000826175481 1443961820 /nfs/dbraw/zinc/96/18/20/1443961820.db2.gz GUPOGXXNVXVCSP-UHFFFAOYSA-N 0 1 397.479 3.173 20 0 GGADMN CC[N@H+](Cc1ccc(F)cc1C(=O)OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736558288 1443965221 /nfs/dbraw/zinc/96/52/21/1443965221.db2.gz ICGYCDIXTDSSSD-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@@H+](Cc1ccc(F)cc1C(=O)OC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736558288 1443965223 /nfs/dbraw/zinc/96/52/23/1443965223.db2.gz ICGYCDIXTDSSSD-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)cc2)c(-c2nnn[n-]2)c1 ZINC000823766717 1443974873 /nfs/dbraw/zinc/97/48/73/1443974873.db2.gz IJUUKBFSAIQMKA-PMACEKPBSA-N 0 1 393.516 3.240 20 0 GGADMN CC(C)[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824199406 1443976005 /nfs/dbraw/zinc/97/60/05/1443976005.db2.gz JQCNQMCGXVTEPU-IBGZPJMESA-N 0 1 383.427 3.264 20 0 GGADMN COCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000826158885 1443977605 /nfs/dbraw/zinc/97/76/05/1443977605.db2.gz HFOVAAVMJLCZQG-UHFFFAOYSA-N 0 1 399.882 3.104 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000826158885 1443977609 /nfs/dbraw/zinc/97/76/09/1443977609.db2.gz HFOVAAVMJLCZQG-UHFFFAOYSA-N 0 1 399.882 3.104 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@H](c2ccsc2)C1 ZINC000822334751 1443991682 /nfs/dbraw/zinc/99/16/82/1443991682.db2.gz GBXGOVKYDAIUQZ-INIZCTEOSA-N 0 1 378.461 3.363 20 0 GGADMN CC(C)(C)C[NH+](CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000824086453 1443991750 /nfs/dbraw/zinc/99/17/50/1443991750.db2.gz MDNYIMWPAPVUNX-UHFFFAOYSA-N 0 1 393.557 3.035 20 0 GGADMN CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821418279 1443996163 /nfs/dbraw/zinc/99/61/63/1443996163.db2.gz YOMQEOLALLLLTO-WOJBJXKFSA-N 0 1 379.464 3.136 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737428106 1444006683 /nfs/dbraw/zinc/00/66/83/1444006683.db2.gz KDQNYHRISHRSCM-UHFFFAOYSA-N 0 1 385.475 3.046 20 0 GGADMN COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821693566 1444014455 /nfs/dbraw/zinc/01/44/55/1444014455.db2.gz DUPKVYOUHWHAFI-CABCVRRESA-N 0 1 397.479 3.312 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000737638292 1444017066 /nfs/dbraw/zinc/01/70/66/1444017066.db2.gz FWPSHLRKNKNEOI-UHFFFAOYSA-N 0 1 381.333 3.237 20 0 GGADMN Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000826295459 1444018260 /nfs/dbraw/zinc/01/82/60/1444018260.db2.gz IJYOKBUVCMYJLY-LBPRGKRZSA-N 0 1 393.476 3.074 20 0 GGADMN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735604171 1446092262 /nfs/dbraw/zinc/09/22/62/1446092262.db2.gz RVXQZGVPFBVFCZ-LJQANCHMSA-N 0 1 395.507 3.332 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826407752 1446109646 /nfs/dbraw/zinc/10/96/46/1446109646.db2.gz ZHKVQMGPJSFAJJ-ROJDOSBLSA-N 0 1 394.504 3.435 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826407752 1446109650 /nfs/dbraw/zinc/10/96/50/1446109650.db2.gz ZHKVQMGPJSFAJJ-ROJDOSBLSA-N 0 1 394.504 3.435 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1sccc1-c1nn[n-]n1 ZINC000826407752 1446109652 /nfs/dbraw/zinc/10/96/52/1446109652.db2.gz ZHKVQMGPJSFAJJ-ROJDOSBLSA-N 0 1 394.504 3.435 20 0 GGADMN O=C(C=CC1CCCCC1)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737794382 1446114565 /nfs/dbraw/zinc/11/45/65/1446114565.db2.gz DPSIXEXMEXGGGI-XFXZXTDPSA-N 0 1 394.523 3.038 20 0 GGADMN C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825013343 1446121202 /nfs/dbraw/zinc/12/12/02/1446121202.db2.gz PSLXQTXCMGSLEE-ZHRRBRCNSA-N 0 1 388.519 3.354 20 0 GGADMN CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825466346 1446122022 /nfs/dbraw/zinc/12/20/22/1446122022.db2.gz ZVAOJLPDHIQVJW-HNNXBMFYSA-N 0 1 395.486 3.321 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1 ZINC000826503154 1446130261 /nfs/dbraw/zinc/13/02/61/1446130261.db2.gz RSLIYNASPKBBCV-SJLPKXTDSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000826503154 1446130265 /nfs/dbraw/zinc/13/02/65/1446130265.db2.gz RSLIYNASPKBBCV-SJLPKXTDSA-N 0 1 385.418 3.233 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1 ZINC000826503154 1446130269 /nfs/dbraw/zinc/13/02/69/1446130269.db2.gz RSLIYNASPKBBCV-SJLPKXTDSA-N 0 1 385.418 3.233 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000824586445 1446135568 /nfs/dbraw/zinc/13/55/68/1446135568.db2.gz ZCVBRYKFCJNBRQ-LLVKDONJSA-N 0 1 388.834 3.339 20 0 GGADMN C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824599948 1446144365 /nfs/dbraw/zinc/14/43/65/1446144365.db2.gz UYPDYKITXGTCMP-HRAATJIYSA-N 0 1 393.491 3.380 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC000826233719 1446147852 /nfs/dbraw/zinc/14/78/52/1446147852.db2.gz STVBBGUQVOEDPJ-MRXNPFEDSA-N 0 1 397.527 3.071 20 0 GGADMN Cn1cc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360857 1446149178 /nfs/dbraw/zinc/14/91/78/1446149178.db2.gz ASSGTMDXVSVGRL-MRXNPFEDSA-N 0 1 399.502 3.162 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736410740 1446154088 /nfs/dbraw/zinc/15/40/88/1446154088.db2.gz LHWYMELVWCNNKV-OAHLLOKOSA-N 0 1 385.493 3.325 20 0 GGADMN Cc1c([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nnn1-c1cccc(Cl)c1 ZINC000822020844 1446170903 /nfs/dbraw/zinc/17/09/03/1446170903.db2.gz KYTQGDOJWWBQDQ-GFCCVEGCSA-N 0 1 394.870 3.260 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737149080 1446181448 /nfs/dbraw/zinc/18/14/48/1446181448.db2.gz WFUNIKSBMHBDRU-IBGZPJMESA-N 0 1 379.464 3.481 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737149080 1446181452 /nfs/dbraw/zinc/18/14/52/1446181452.db2.gz WFUNIKSBMHBDRU-IBGZPJMESA-N 0 1 379.464 3.481 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737149080 1446181457 /nfs/dbraw/zinc/18/14/57/1446181457.db2.gz WFUNIKSBMHBDRU-IBGZPJMESA-N 0 1 379.464 3.481 20 0 GGADMN CC[N@H+](Cc1ccc(Cl)cc1)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825434678 1446191285 /nfs/dbraw/zinc/19/12/85/1446191285.db2.gz DKIGYPPJDOQQJR-ZDUSSCGKSA-N 0 1 384.871 3.369 20 0 GGADMN CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825434678 1446191288 /nfs/dbraw/zinc/19/12/88/1446191288.db2.gz DKIGYPPJDOQQJR-ZDUSSCGKSA-N 0 1 384.871 3.369 20 0 GGADMN Fc1ccc(C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000822771431 1446192055 /nfs/dbraw/zinc/19/20/55/1446192055.db2.gz HKNNPWJLVCFZRZ-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN C[C@@H]1CN(c2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)c[nH+]2)C[C@@H](C)O1 ZINC000736289514 1446193156 /nfs/dbraw/zinc/19/31/56/1446193156.db2.gz MIWIGAUDHVFBAZ-CHWSQXEVSA-N 0 1 399.886 3.141 20 0 GGADMN O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000823313449 1446207515 /nfs/dbraw/zinc/20/75/15/1446207515.db2.gz BDQDWOIFZWEIHJ-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821665939 1446208067 /nfs/dbraw/zinc/20/80/67/1446208067.db2.gz LUMBFJMUZMGODN-LJQANCHMSA-N 0 1 377.448 3.061 20 0 GGADMN COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821665939 1446208072 /nfs/dbraw/zinc/20/80/72/1446208072.db2.gz LUMBFJMUZMGODN-LJQANCHMSA-N 0 1 377.448 3.061 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000821702373 1446208183 /nfs/dbraw/zinc/20/81/83/1446208183.db2.gz REKKSOCWYKHQMO-HOCLYGCPSA-N 0 1 383.452 3.320 20 0 GGADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447819 1446208386 /nfs/dbraw/zinc/20/83/86/1446208386.db2.gz LGTSPRBTBAZHCO-IRXDYDNUSA-N 0 1 383.525 3.294 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000826275345 1446211495 /nfs/dbraw/zinc/21/14/95/1446211495.db2.gz XEGLZMKTJFZSGV-AWEZNQCLSA-N 0 1 383.887 3.107 20 0 GGADMN C[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022435 1446221416 /nfs/dbraw/zinc/22/14/16/1446221416.db2.gz NFTIMCDQJIYTRX-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022435 1446221417 /nfs/dbraw/zinc/22/14/17/1446221417.db2.gz NFTIMCDQJIYTRX-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN COc1ccccc1C=CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826218594 1446224513 /nfs/dbraw/zinc/22/45/13/1446224513.db2.gz GZMUBLHIWQSWTJ-RMKNXTFCSA-N 0 1 390.491 3.101 20 0 GGADMN COc1ccccc1C=CC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826218594 1446224520 /nfs/dbraw/zinc/22/45/20/1446224520.db2.gz GZMUBLHIWQSWTJ-RMKNXTFCSA-N 0 1 390.491 3.101 20 0 GGADMN COc1ccccc1C=CC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826218594 1446224526 /nfs/dbraw/zinc/22/45/26/1446224526.db2.gz GZMUBLHIWQSWTJ-RMKNXTFCSA-N 0 1 390.491 3.101 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736236061 1446229534 /nfs/dbraw/zinc/22/95/34/1446229534.db2.gz GNCNIOZNVIXPLN-FRRDWIJNSA-N 0 1 395.433 3.122 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736236061 1446229537 /nfs/dbraw/zinc/22/95/37/1446229537.db2.gz GNCNIOZNVIXPLN-FRRDWIJNSA-N 0 1 395.433 3.122 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736236061 1446229540 /nfs/dbraw/zinc/22/95/40/1446229540.db2.gz GNCNIOZNVIXPLN-FRRDWIJNSA-N 0 1 395.433 3.122 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736291682 1446242006 /nfs/dbraw/zinc/24/20/06/1446242006.db2.gz XWANGMGGLRSYOT-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736291682 1446242010 /nfs/dbraw/zinc/24/20/10/1446242010.db2.gz XWANGMGGLRSYOT-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736291682 1446242013 /nfs/dbraw/zinc/24/20/13/1446242013.db2.gz XWANGMGGLRSYOT-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000822231639 1446247082 /nfs/dbraw/zinc/24/70/82/1446247082.db2.gz BKQFOBFJODZYFN-UTKZUKDTSA-N 0 1 393.491 3.324 20 0 GGADMN Cc1ccc(C)c([C@@H]2C[N@@H+](CCOc3cccc(-c4nnn[n-]4)c3)[C@H](C)CO2)c1 ZINC000822231639 1446247084 /nfs/dbraw/zinc/24/70/84/1446247084.db2.gz BKQFOBFJODZYFN-UTKZUKDTSA-N 0 1 393.491 3.324 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826182479 1446253449 /nfs/dbraw/zinc/25/34/49/1446253449.db2.gz KYXNPESXKKGLID-UHFFFAOYSA-N 0 1 382.855 3.213 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000737647569 1446260267 /nfs/dbraw/zinc/26/02/67/1446260267.db2.gz GRJCWWBRFQJXKJ-LLVKDONJSA-N 0 1 395.364 3.127 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000737647569 1446260270 /nfs/dbraw/zinc/26/02/70/1446260270.db2.gz GRJCWWBRFQJXKJ-LLVKDONJSA-N 0 1 395.364 3.127 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000737647569 1446260274 /nfs/dbraw/zinc/26/02/74/1446260274.db2.gz GRJCWWBRFQJXKJ-LLVKDONJSA-N 0 1 395.364 3.127 20 0 GGADMN CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825406446 1446262090 /nfs/dbraw/zinc/26/20/90/1446262090.db2.gz OHTVNRXRPMTNCQ-AWEZNQCLSA-N 0 1 396.470 3.339 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736413273 1446264105 /nfs/dbraw/zinc/26/41/05/1446264105.db2.gz XOHBJJHAZMIXOU-INIZCTEOSA-N 0 1 382.493 3.266 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820723178 1446266605 /nfs/dbraw/zinc/26/66/05/1446266605.db2.gz WQRSRAZAALLXQS-ORAYPTAESA-N 0 1 380.427 3.027 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820723178 1446266607 /nfs/dbraw/zinc/26/66/07/1446266607.db2.gz WQRSRAZAALLXQS-ORAYPTAESA-N 0 1 380.427 3.027 20 0 GGADMN Cc1c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cccc1-c1nnn[n-]1 ZINC000822095324 1446269070 /nfs/dbraw/zinc/26/90/70/1446269070.db2.gz DCMOMEVTKSSDEJ-KRWDZBQOSA-N 0 1 399.886 3.253 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000821189499 1446274935 /nfs/dbraw/zinc/27/49/35/1446274935.db2.gz MXYCOPZDIUOCJA-UHFFFAOYSA-N 0 1 398.486 3.016 20 0 GGADMN COc1cc(C)c([C@@H](C)Nc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1OC ZINC000821708733 1446278164 /nfs/dbraw/zinc/27/81/64/1446278164.db2.gz YBSBAWYTNVIOKP-CYBMUJFWSA-N 0 1 390.447 3.336 20 0 GGADMN CCC[N@@H+](Cc1ccc(OCCOC)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825323495 1446279874 /nfs/dbraw/zinc/27/98/74/1446279874.db2.gz WWEJEFPRFFYMFU-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN CCC[N@H+](Cc1ccc(OCCOC)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825323495 1446279876 /nfs/dbraw/zinc/27/98/76/1446279876.db2.gz WWEJEFPRFFYMFU-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN CCC[N@@H+](Cc1ccc(OCCOC)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825323495 1446279880 /nfs/dbraw/zinc/27/98/80/1446279880.db2.gz WWEJEFPRFFYMFU-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN C[N@H+](CCc1ccc(Cl)cc1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821605075 1446291900 /nfs/dbraw/zinc/29/19/00/1446291900.db2.gz UIZKHEPVWIYBMP-UHFFFAOYSA-N 0 1 395.854 3.245 20 0 GGADMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821605075 1446291904 /nfs/dbraw/zinc/29/19/04/1446291904.db2.gz UIZKHEPVWIYBMP-UHFFFAOYSA-N 0 1 395.854 3.245 20 0 GGADMN Brc1ccccc1C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735368999 1446299781 /nfs/dbraw/zinc/29/97/81/1446299781.db2.gz REHHOWJFFRSNJS-UHFFFAOYSA-N 0 1 384.281 3.451 20 0 GGADMN Cc1ccccc1[C@@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822350298 1446320366 /nfs/dbraw/zinc/32/03/66/1446320366.db2.gz BXLVCCBDPMVTSO-JXFKEZNVSA-N 0 1 388.475 3.390 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCc1ccc(Br)cc1 ZINC000822744410 1446320568 /nfs/dbraw/zinc/32/05/68/1446320568.db2.gz SEMVACBUEGUESZ-UHFFFAOYSA-N 0 1 376.233 3.101 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547805 1446320670 /nfs/dbraw/zinc/32/06/70/1446320670.db2.gz SIWOYSXRBZBLIM-RHSMWYFYSA-N 0 1 398.461 3.460 20 0 GGADMN C[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2sccc2C1 ZINC000824426519 1446334111 /nfs/dbraw/zinc/33/41/11/1446334111.db2.gz GWWBCNZDEWYQRY-AUUYWEPGSA-N 0 1 394.548 3.342 20 0 GGADMN CC[N@@H+](CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736537865 1446342274 /nfs/dbraw/zinc/34/22/74/1446342274.db2.gz XONJPBLSXQIQPE-UHFFFAOYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[N@H+](CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736537865 1446342278 /nfs/dbraw/zinc/34/22/78/1446342278.db2.gz XONJPBLSXQIQPE-UHFFFAOYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[N@@H+](CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736537865 1446342281 /nfs/dbraw/zinc/34/22/81/1446342281.db2.gz XONJPBLSXQIQPE-UHFFFAOYSA-N 0 1 394.479 3.119 20 0 GGADMN Cc1ccc(-c2[nH]n(CN(C)c3ccccc3-c3nnn[n-]3)c(=S)[nH+]2)cc1 ZINC000826273776 1446352989 /nfs/dbraw/zinc/35/29/89/1446352989.db2.gz TURBKEYMOITVNW-UHFFFAOYSA-N 0 1 378.465 3.190 20 0 GGADMN Cc1ccc(OC2CC[NH+](CCCOc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737365823 1446362483 /nfs/dbraw/zinc/36/24/83/1446362483.db2.gz UNGMLAFYKLRPTG-UHFFFAOYSA-N 0 1 393.491 3.487 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCc3cc(Br)cc(C)c3C2)[nH+]1 ZINC000826274728 1446373204 /nfs/dbraw/zinc/37/32/04/1446373204.db2.gz CFDOSDSEBNMQPT-UHFFFAOYSA-N 0 1 385.269 3.204 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C(C)(C)C1 ZINC000820759478 1446377317 /nfs/dbraw/zinc/37/73/17/1446377317.db2.gz KWQUPKJULQSRSO-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C(C)(C)C1 ZINC000820759478 1446377322 /nfs/dbraw/zinc/37/73/22/1446377322.db2.gz KWQUPKJULQSRSO-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C(C)(C)C1 ZINC000820759478 1446377326 /nfs/dbraw/zinc/37/73/26/1446377326.db2.gz KWQUPKJULQSRSO-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826294392 1446388577 /nfs/dbraw/zinc/38/85/77/1446388577.db2.gz QFKIMQKSMGPTOE-JOCHJYFZSA-N 0 1 388.519 3.417 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000822774493 1446395261 /nfs/dbraw/zinc/39/52/61/1446395261.db2.gz KLGPFRUMQDUTOF-CYBMUJFWSA-N 0 1 399.449 3.148 20 0 GGADMN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826506230 1446400832 /nfs/dbraw/zinc/40/08/32/1446400832.db2.gz PFXYVQGSJJPMTA-IAGOWNOFSA-N 0 1 389.381 3.193 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000820151277 1446402382 /nfs/dbraw/zinc/40/23/82/1446402382.db2.gz FWPSVPMBYQKEFN-INIZCTEOSA-N 0 1 398.511 3.247 20 0 GGADMN CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000820151277 1446402384 /nfs/dbraw/zinc/40/23/84/1446402384.db2.gz FWPSVPMBYQKEFN-INIZCTEOSA-N 0 1 398.511 3.247 20 0 GGADMN CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000820151277 1446402385 /nfs/dbraw/zinc/40/23/85/1446402385.db2.gz FWPSVPMBYQKEFN-INIZCTEOSA-N 0 1 398.511 3.247 20 0 GGADMN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825019589 1446409418 /nfs/dbraw/zinc/40/94/18/1446409418.db2.gz FRNXXXIAQVPFDX-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825019589 1446409421 /nfs/dbraw/zinc/40/94/21/1446409421.db2.gz FRNXXXIAQVPFDX-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736321619 1446419453 /nfs/dbraw/zinc/41/94/53/1446419453.db2.gz DRNCJHBNNVXLFO-CHWSQXEVSA-N 0 1 390.557 3.360 20 0 GGADMN CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736321619 1446419454 /nfs/dbraw/zinc/41/94/54/1446419454.db2.gz DRNCJHBNNVXLFO-CHWSQXEVSA-N 0 1 390.557 3.360 20 0 GGADMN CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736321619 1446419455 /nfs/dbraw/zinc/41/94/55/1446419455.db2.gz DRNCJHBNNVXLFO-CHWSQXEVSA-N 0 1 390.557 3.360 20 0 GGADMN FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826368560 1446441344 /nfs/dbraw/zinc/44/13/44/1446441344.db2.gz UTSZAROVVKFOIC-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)CCO2)cc1 ZINC000826368560 1446441346 /nfs/dbraw/zinc/44/13/46/1446441346.db2.gz UTSZAROVVKFOIC-KRWDZBQOSA-N 0 1 389.381 3.459 20 0 GGADMN COC(=O)C(C)=CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821638730 1446448323 /nfs/dbraw/zinc/44/83/23/1446448323.db2.gz GRJIUKIHFYMEHD-XNTDXEJSSA-N 0 1 395.438 3.127 20 0 GGADMN COC(=O)C(C)=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821638730 1446448324 /nfs/dbraw/zinc/44/83/24/1446448324.db2.gz GRJIUKIHFYMEHD-XNTDXEJSSA-N 0 1 395.438 3.127 20 0 GGADMN c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826524371 1446467019 /nfs/dbraw/zinc/46/70/19/1446467019.db2.gz SIAIONBCLHTLRJ-KRWDZBQOSA-N 0 1 391.475 3.276 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028925 1446481705 /nfs/dbraw/zinc/48/17/05/1446481705.db2.gz KTVNZCCKTIGURS-MSOLQXFVSA-N 0 1 386.862 3.194 20 0 GGADMN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820220422 1446501196 /nfs/dbraw/zinc/50/11/96/1446501196.db2.gz UNVGVCRQDSLXGD-CQSZACIVSA-N 0 1 398.898 3.047 20 0 GGADMN COc1ccc([C@H]([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)C2CC2)cc1 ZINC000737077800 1446501606 /nfs/dbraw/zinc/50/16/06/1446501606.db2.gz YRMCLLMXDMQRKU-HXUWFJFHSA-N 0 1 395.463 3.004 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000821651982 1446518876 /nfs/dbraw/zinc/51/88/76/1446518876.db2.gz KDWQCRJPYQEPHZ-YLJYHZDGSA-N 0 1 391.475 3.036 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000821651982 1446518878 /nfs/dbraw/zinc/51/88/78/1446518878.db2.gz KDWQCRJPYQEPHZ-YLJYHZDGSA-N 0 1 391.475 3.036 20 0 GGADMN CCOc1cccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)c1OC(F)F ZINC000821430717 1446530555 /nfs/dbraw/zinc/53/05/55/1446530555.db2.gz FNDHEVVLEASYPN-UHFFFAOYSA-N 0 1 393.369 3.296 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000826263768 1446533512 /nfs/dbraw/zinc/53/35/12/1446533512.db2.gz PTJOICIFZOPQAM-INIZCTEOSA-N 0 1 377.496 3.096 20 0 GGADMN C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)C[NH+]1CCCCC1 ZINC000736026206 1446543494 /nfs/dbraw/zinc/54/34/94/1446543494.db2.gz MSTHQOPFVBBPQH-GFCCVEGCSA-N 0 1 387.438 3.227 20 0 GGADMN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C[C@H](C)O1 ZINC000824893384 1446544020 /nfs/dbraw/zinc/54/40/20/1446544020.db2.gz QHXLSFQNGDHRQK-CWPLJXCYSA-N 0 1 393.491 3.491 20 0 GGADMN c1cc(COc2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516453 1446546652 /nfs/dbraw/zinc/54/66/52/1446546652.db2.gz LNOSIVKIFBKSNO-PMACEKPBSA-N 0 1 390.491 3.484 20 0 GGADMN c1cc(COc2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516453 1446546654 /nfs/dbraw/zinc/54/66/54/1446546654.db2.gz LNOSIVKIFBKSNO-PMACEKPBSA-N 0 1 390.491 3.484 20 0 GGADMN c1cc(COc2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516453 1446546656 /nfs/dbraw/zinc/54/66/56/1446546656.db2.gz LNOSIVKIFBKSNO-PMACEKPBSA-N 0 1 390.491 3.484 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824576514 1446551063 /nfs/dbraw/zinc/55/10/63/1446551063.db2.gz BKKXKROCWLLRPY-ZIAGYGMSSA-N 0 1 384.434 3.322 20 0 GGADMN COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)N2CCCC2)c1 ZINC000826214294 1446559389 /nfs/dbraw/zinc/55/93/89/1446559389.db2.gz HFLLSRLAWKMVEP-HRAATJIYSA-N 0 1 392.507 3.363 20 0 GGADMN CC([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)(c1ccccc1)c1ccccc1 ZINC000824562800 1446566067 /nfs/dbraw/zinc/56/60/67/1446566067.db2.gz IUWYKHFCPZDZPE-UHFFFAOYSA-N 0 1 398.470 3.359 20 0 GGADMN COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826203025 1446572848 /nfs/dbraw/zinc/57/28/48/1446572848.db2.gz WQLUJNIPMBBPNK-UHFFFAOYSA-N 0 1 395.854 3.209 20 0 GGADMN CN(CCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000825918508 1446574752 /nfs/dbraw/zinc/57/47/52/1446574752.db2.gz GKVKCZIHHRTGKQ-KRWDZBQOSA-N 0 1 386.500 3.091 20 0 GGADMN C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820294081 1446576171 /nfs/dbraw/zinc/57/61/71/1446576171.db2.gz QQRZBAQIGRXHBB-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824593734 1446581949 /nfs/dbraw/zinc/58/19/49/1446581949.db2.gz SLWLCCJRMIQTQK-GFCCVEGCSA-N 0 1 391.401 3.433 20 0 GGADMN Cc1[nH+]ccn1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000822479007 1446583287 /nfs/dbraw/zinc/58/32/87/1446583287.db2.gz XCUFDMOYEVGEHT-ZDUSSCGKSA-N 0 1 377.374 3.232 20 0 GGADMN COc1ccc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2F)cc1OC(F)F ZINC000826192845 1446604301 /nfs/dbraw/zinc/60/43/01/1446604301.db2.gz FCVVPAVQKFOKEX-UHFFFAOYSA-N 0 1 393.369 3.248 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2F)cc1OC(F)F ZINC000826192845 1446604306 /nfs/dbraw/zinc/60/43/06/1446604306.db2.gz FCVVPAVQKFOKEX-UHFFFAOYSA-N 0 1 393.369 3.248 20 0 GGADMN C[NH+](C)[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(F)cc1 ZINC000736760224 1446612617 /nfs/dbraw/zinc/61/26/17/1446612617.db2.gz QQIPIYFJEWNMIM-GOSISDBHSA-N 0 1 377.427 3.269 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000826310809 1446618257 /nfs/dbraw/zinc/61/82/57/1446618257.db2.gz IVGRYVHQIARIFU-AWEZNQCLSA-N 0 1 390.369 3.167 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000826250254 1446621117 /nfs/dbraw/zinc/62/11/17/1446621117.db2.gz RKAUVSUHUHQMDU-UHFFFAOYSA-N 0 1 376.464 3.066 20 0 GGADMN C[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H](C)S1 ZINC000820768834 1446622481 /nfs/dbraw/zinc/62/24/81/1446622481.db2.gz QDQJHNBWKKFQNR-AOOOYVTPSA-N 0 1 392.435 3.347 20 0 GGADMN CCOc1ccccc1OCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821436569 1446634441 /nfs/dbraw/zinc/63/44/41/1446634441.db2.gz BZPOQWJYPZYMQA-UHFFFAOYSA-N 0 1 379.464 3.309 20 0 GGADMN C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410395 1446648784 /nfs/dbraw/zinc/64/87/84/1446648784.db2.gz FCKOQKPBDTYGTB-KKXDOQTMSA-N 0 1 388.475 3.350 20 0 GGADMN Cc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737419124 1446652408 /nfs/dbraw/zinc/65/24/08/1446652408.db2.gz CMILEGKJAQCLSP-OALUTQOASA-N 0 1 378.480 3.079 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)[NH2+][C@@H](C)c1ccccc1 ZINC000820054591 1446664265 /nfs/dbraw/zinc/66/42/65/1446664265.db2.gz BZJUWIYFYGFMQD-WMLDXEAASA-N 0 1 398.536 3.424 20 0 GGADMN C[C@H]1C[NH+](Cc2ccccc2NCc2ccc(-c3nnn[n-]3)s2)C[C@H](C)O1 ZINC000820759365 1446672629 /nfs/dbraw/zinc/67/26/29/1446672629.db2.gz JYSWNOUBRYNGSF-KBPBESRZSA-N 0 1 384.509 3.150 20 0 GGADMN C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824670694 1446676140 /nfs/dbraw/zinc/67/61/40/1446676140.db2.gz UGZRCCKTAPVWTA-UKRRQHHQSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824670694 1446676141 /nfs/dbraw/zinc/67/61/41/1446676141.db2.gz UGZRCCKTAPVWTA-UKRRQHHQSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824670694 1446676144 /nfs/dbraw/zinc/67/61/44/1446676144.db2.gz UGZRCCKTAPVWTA-UKRRQHHQSA-N 0 1 383.887 3.238 20 0 GGADMN c1nn(-c2ccccc2)cc1C[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000738425235 1446709758 /nfs/dbraw/zinc/70/97/58/1446709758.db2.gz MKVPUFRSXZAMTJ-UHFFFAOYSA-N 0 1 391.504 3.075 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820431810 1446724213 /nfs/dbraw/zinc/72/42/13/1446724213.db2.gz HTNLBAKLGKCCNT-YWZLYKJASA-N 0 1 379.464 3.275 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820642317 1446736899 /nfs/dbraw/zinc/73/68/99/1446736899.db2.gz HYWNLXINJHJZLY-SJLPKXTDSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820642317 1446736903 /nfs/dbraw/zinc/73/69/03/1446736903.db2.gz HYWNLXINJHJZLY-SJLPKXTDSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820642317 1446736907 /nfs/dbraw/zinc/73/69/07/1446736907.db2.gz HYWNLXINJHJZLY-SJLPKXTDSA-N 0 1 390.491 3.148 20 0 GGADMN COc1ccc(O[C@H](C)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826211337 1446738602 /nfs/dbraw/zinc/73/86/02/1446738602.db2.gz YFPIRCMFAVEQMI-VLIAUNLRSA-N 0 1 379.464 3.310 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000826191478 1446741508 /nfs/dbraw/zinc/74/15/08/1446741508.db2.gz HVMWKCSTQUKICL-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000826191478 1446741512 /nfs/dbraw/zinc/74/15/12/1446741512.db2.gz HVMWKCSTQUKICL-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000826191478 1446741516 /nfs/dbraw/zinc/74/15/16/1446741516.db2.gz HVMWKCSTQUKICL-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)c1ccc(F)cc1 ZINC000736535687 1446753454 /nfs/dbraw/zinc/75/34/54/1446753454.db2.gz XKTLMVZCPKYRJE-AWEZNQCLSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000736535687 1446753461 /nfs/dbraw/zinc/75/34/61/1446753461.db2.gz XKTLMVZCPKYRJE-AWEZNQCLSA-N 0 1 382.443 3.418 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000736535687 1446753465 /nfs/dbraw/zinc/75/34/65/1446753465.db2.gz XKTLMVZCPKYRJE-AWEZNQCLSA-N 0 1 382.443 3.418 20 0 GGADMN CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824072409 1446766630 /nfs/dbraw/zinc/76/66/30/1446766630.db2.gz VLYRPVBCPYVKBW-IEBWSBKVSA-N 0 1 399.470 3.123 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736233911 1446767191 /nfs/dbraw/zinc/76/71/91/1446767191.db2.gz HDTZGXKELCCMLT-VYDXJSESSA-N 0 1 376.464 3.072 20 0 GGADMN Clc1ccccc1C1(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CCOCC1 ZINC000822586398 1446769511 /nfs/dbraw/zinc/76/95/11/1446769511.db2.gz XDKWURGWUWZIFH-UHFFFAOYSA-N 0 1 389.912 3.420 20 0 GGADMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820056150 1446770400 /nfs/dbraw/zinc/77/04/00/1446770400.db2.gz NCDNHFMZCRSZCO-HNNXBMFYSA-N 0 1 392.479 3.035 20 0 GGADMN C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824546011 1446783681 /nfs/dbraw/zinc/78/36/81/1446783681.db2.gz GCFYACKRNJKOKU-AWEZNQCLSA-N 0 1 398.461 3.460 20 0 GGADMN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826507076 1446785594 /nfs/dbraw/zinc/78/55/94/1446785594.db2.gz IIDQDYCGNNFDQR-IAGOWNOFSA-N 0 1 389.381 3.193 20 0 GGADMN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826507076 1446785598 /nfs/dbraw/zinc/78/55/98/1446785598.db2.gz IIDQDYCGNNFDQR-IAGOWNOFSA-N 0 1 389.381 3.193 20 0 GGADMN CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503382 1446792050 /nfs/dbraw/zinc/79/20/50/1446792050.db2.gz VTWLNBWDLKRYCE-IAGOWNOFSA-N 0 1 392.507 3.297 20 0 GGADMN CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503382 1446792052 /nfs/dbraw/zinc/79/20/52/1446792052.db2.gz VTWLNBWDLKRYCE-IAGOWNOFSA-N 0 1 392.507 3.297 20 0 GGADMN CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736665025 1446799873 /nfs/dbraw/zinc/79/98/73/1446799873.db2.gz NORCMOCBIPFNIV-ZDUSSCGKSA-N 0 1 394.932 3.066 20 0 GGADMN c1ccc(C[C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823779506 1446807929 /nfs/dbraw/zinc/80/79/29/1446807929.db2.gz FHWLMDZPYXARKK-GOSISDBHSA-N 0 1 387.447 3.124 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821449345 1446813867 /nfs/dbraw/zinc/81/38/67/1446813867.db2.gz SEELMWWRHZCLIB-QWHCGFSZSA-N 0 1 394.932 3.065 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCC[C@H](OCC(F)(F)F)C1 ZINC000822331631 1446828347 /nfs/dbraw/zinc/82/83/47/1446828347.db2.gz IQERUCSZVIZQMX-LBPRGKRZSA-N 0 1 392.385 3.271 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1-c1nn[n-]n1 ZINC000821805452 1446833070 /nfs/dbraw/zinc/83/30/70/1446833070.db2.gz UNJGNNNYFFBQBH-KRWDZBQOSA-N 0 1 377.448 3.411 20 0 GGADMN C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825975951 1446855412 /nfs/dbraw/zinc/85/54/12/1446855412.db2.gz CAKYBLAKGROQKU-UHFFFAOYSA-N 0 1 381.390 3.167 20 0 GGADMN COCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(OC(C)(C)C)n1 ZINC000826159164 1446857405 /nfs/dbraw/zinc/85/74/05/1446857405.db2.gz UGEGOONGYLGDQF-UHFFFAOYSA-N 0 1 396.495 3.088 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(OC(C)(C)C)n1 ZINC000826159164 1446857408 /nfs/dbraw/zinc/85/74/08/1446857408.db2.gz UGEGOONGYLGDQF-UHFFFAOYSA-N 0 1 396.495 3.088 20 0 GGADMN CCC[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)CC(C)(C)O ZINC000825323038 1446865819 /nfs/dbraw/zinc/86/58/19/1446865819.db2.gz NNDSYDLMKHFLMB-UHFFFAOYSA-N 0 1 395.507 3.429 20 0 GGADMN CCC[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)CC(C)(C)O ZINC000825323038 1446865822 /nfs/dbraw/zinc/86/58/22/1446865822.db2.gz NNDSYDLMKHFLMB-UHFFFAOYSA-N 0 1 395.507 3.429 20 0 GGADMN CCC[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)CC(C)(C)O ZINC000825323038 1446865828 /nfs/dbraw/zinc/86/58/28/1446865828.db2.gz NNDSYDLMKHFLMB-UHFFFAOYSA-N 0 1 395.507 3.429 20 0 GGADMN CCOCCOCc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821383773 1446885340 /nfs/dbraw/zinc/88/53/40/1446885340.db2.gz JHOBMUIQNVJVTA-INIZCTEOSA-N 0 1 381.480 3.271 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826157906 1446898048 /nfs/dbraw/zinc/89/80/48/1446898048.db2.gz QTGLTFGWQZXCTH-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN COCC[N@H+](C)CCCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826157906 1446898050 /nfs/dbraw/zinc/89/80/50/1446898050.db2.gz QTGLTFGWQZXCTH-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826157906 1446898052 /nfs/dbraw/zinc/89/80/52/1446898052.db2.gz QTGLTFGWQZXCTH-UHFFFAOYSA-N 0 1 392.935 3.095 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccccc1-c1nn[n-]n1 ZINC000737838187 1446901784 /nfs/dbraw/zinc/90/17/84/1446901784.db2.gz KBUNGIVMIYGPMR-HXUWFJFHSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000737838187 1446901787 /nfs/dbraw/zinc/90/17/87/1446901787.db2.gz KBUNGIVMIYGPMR-HXUWFJFHSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000737838187 1446901789 /nfs/dbraw/zinc/90/17/89/1446901789.db2.gz KBUNGIVMIYGPMR-HXUWFJFHSA-N 0 1 388.475 3.347 20 0 GGADMN COc1cccc([C@@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CCO2)c1 ZINC000821863693 1446905620 /nfs/dbraw/zinc/90/56/20/1446905620.db2.gz MZQMHFFUQXMSFV-IBGZPJMESA-N 0 1 388.431 3.001 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000824901212 1446912634 /nfs/dbraw/zinc/91/26/34/1446912634.db2.gz YBHGRZIFWWCDJO-FZKQIMNGSA-N 0 1 377.427 3.237 20 0 GGADMN C[C@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000824600131 1446913126 /nfs/dbraw/zinc/91/31/26/1446913126.db2.gz WLKKCKNPFTYTIT-LBPRGKRZSA-N 0 1 375.379 3.198 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(CNCCC[NH+]3CCCC3)c2)c1 ZINC000738409835 1446916810 /nfs/dbraw/zinc/91/68/10/1446916810.db2.gz GUXCYMCDDLWMGE-UHFFFAOYSA-N 0 1 392.507 3.021 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000737638958 1446928402 /nfs/dbraw/zinc/92/84/02/1446928402.db2.gz LOIAILBHSVIEFP-UHFFFAOYSA-N 0 1 380.471 3.282 20 0 GGADMN CC(C)C[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824235289 1446947296 /nfs/dbraw/zinc/94/72/96/1446947296.db2.gz FDPPCIIWHAJOIC-IBGZPJMESA-N 0 1 399.520 3.017 20 0 GGADMN COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCN2C2CC2)c1 ZINC000826215526 1446951577 /nfs/dbraw/zinc/95/15/77/1446951577.db2.gz RLKRKHSVJOPHRZ-IEBWSBKVSA-N 0 1 396.520 3.004 20 0 GGADMN CCc1c(C)sc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000736672123 1446962220 /nfs/dbraw/zinc/96/22/20/1446962220.db2.gz YWFLGRWTGODKNA-GFCCVEGCSA-N 0 1 384.509 3.258 20 0 GGADMN CCc1c(C)sc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000736672123 1446962223 /nfs/dbraw/zinc/96/22/23/1446962223.db2.gz YWFLGRWTGODKNA-GFCCVEGCSA-N 0 1 384.509 3.258 20 0 GGADMN O[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000823696706 1446965621 /nfs/dbraw/zinc/96/56/21/1446965621.db2.gz GRFCHGPYWFUYKZ-OXQOHEQNSA-N 0 1 393.491 3.086 20 0 GGADMN CC(C)[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735703576 1446966440 /nfs/dbraw/zinc/96/64/40/1446966440.db2.gz UZXFJQZBNVNPKS-GFCCVEGCSA-N 0 1 376.530 3.112 20 0 GGADMN CC(C)[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735703576 1446966443 /nfs/dbraw/zinc/96/64/43/1446966443.db2.gz UZXFJQZBNVNPKS-GFCCVEGCSA-N 0 1 376.530 3.112 20 0 GGADMN CC(C)[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735703576 1446966446 /nfs/dbraw/zinc/96/64/46/1446966446.db2.gz UZXFJQZBNVNPKS-GFCCVEGCSA-N 0 1 376.530 3.112 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824578088 1446967521 /nfs/dbraw/zinc/96/75/21/1446967521.db2.gz QOJDIUGZUMKFDJ-KBPBESRZSA-N 0 1 384.434 3.322 20 0 GGADMN COC1CC[NH+](C2(CNc3c(Cl)cccc3-c3nn[n-]n3)CCCC2)CC1 ZINC000821679769 1446975374 /nfs/dbraw/zinc/97/53/74/1446975374.db2.gz LXLPKMYNLXGCIO-UHFFFAOYSA-N 0 1 390.919 3.356 20 0 GGADMN COCCSc1ccc([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000826163544 1446979611 /nfs/dbraw/zinc/97/96/11/1446979611.db2.gz YUEINZZPRCDSSS-OAHLLOKOSA-N 0 1 399.520 3.335 20 0 GGADMN CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]21 ZINC001139093957 1446981450 /nfs/dbraw/zinc/98/14/50/1446981450.db2.gz MKXKBIVDDQOBER-FKBYEOEOSA-N 0 1 388.519 3.477 20 0 GGADMN CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]21 ZINC001139093957 1446981452 /nfs/dbraw/zinc/98/14/52/1446981452.db2.gz MKXKBIVDDQOBER-FKBYEOEOSA-N 0 1 388.519 3.477 20 0 GGADMN CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921055 1446983502 /nfs/dbraw/zinc/98/35/02/1446983502.db2.gz HDPGCNSFTAMVAG-ACJLOTCBSA-N 0 1 396.520 3.244 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000822945852 1446996669 /nfs/dbraw/zinc/99/66/69/1446996669.db2.gz SAMORYHLERHQIF-INIZCTEOSA-N 0 1 397.504 3.435 20 0 GGADMN O=C(C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000822945852 1446996670 /nfs/dbraw/zinc/99/66/70/1446996670.db2.gz SAMORYHLERHQIF-INIZCTEOSA-N 0 1 397.504 3.435 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000822945852 1446996672 /nfs/dbraw/zinc/99/66/72/1446996672.db2.gz SAMORYHLERHQIF-INIZCTEOSA-N 0 1 397.504 3.435 20 0 GGADMN CC(C)CSCCC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824275012 1446997934 /nfs/dbraw/zinc/99/79/34/1446997934.db2.gz QRWMKRHEGODEOD-UHFFFAOYSA-N 0 1 375.542 3.489 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821094922 1447010939 /nfs/dbraw/zinc/01/09/39/1447010939.db2.gz UGHPFWVUDLFZQS-UHFFFAOYSA-N 0 1 396.470 3.168 20 0 GGADMN CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821094922 1447010944 /nfs/dbraw/zinc/01/09/44/1447010944.db2.gz UGHPFWVUDLFZQS-UHFFFAOYSA-N 0 1 396.470 3.168 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821094922 1447010947 /nfs/dbraw/zinc/01/09/47/1447010947.db2.gz UGHPFWVUDLFZQS-UHFFFAOYSA-N 0 1 396.470 3.168 20 0 GGADMN Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001116084338 1447013531 /nfs/dbraw/zinc/01/35/31/1447013531.db2.gz KIKSVNPYTBXIGG-IBGZPJMESA-N 0 1 376.464 3.168 20 0 GGADMN Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001116084338 1447013535 /nfs/dbraw/zinc/01/35/35/1447013535.db2.gz KIKSVNPYTBXIGG-IBGZPJMESA-N 0 1 376.464 3.168 20 0 GGADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826215309 1447013718 /nfs/dbraw/zinc/01/37/18/1447013718.db2.gz LOIRDSASVPXPPV-AUUYWEPGSA-N 0 1 379.464 3.467 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CCCCc1ccccc1 ZINC000821649865 1447022276 /nfs/dbraw/zinc/02/22/76/1447022276.db2.gz FJPNZUQZAFKIKG-LJQANCHMSA-N 0 1 379.464 3.036 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CCCCc1ccccc1 ZINC000821649865 1447022280 /nfs/dbraw/zinc/02/22/80/1447022280.db2.gz FJPNZUQZAFKIKG-LJQANCHMSA-N 0 1 379.464 3.036 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000821786880 1447038250 /nfs/dbraw/zinc/03/82/50/1447038250.db2.gz KUEAXULVJUWPAD-GOSISDBHSA-N 0 1 383.427 3.360 20 0 GGADMN O[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(Cl)c(F)c1 ZINC000826502688 1447043588 /nfs/dbraw/zinc/04/35/88/1447043588.db2.gz IVWWVYJQAXHPBJ-MSOLQXFVSA-N 0 1 387.846 3.360 20 0 GGADMN Fc1cc(F)c2ncc(-c3nnn[n-]3)c(N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000737645040 1447045088 /nfs/dbraw/zinc/04/50/88/1447045088.db2.gz OMPIUIQLACMMSO-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000737645040 1447045094 /nfs/dbraw/zinc/04/50/94/1447045094.db2.gz OMPIUIQLACMMSO-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN Fc1cc(F)c2ncc(-c3nn[n-]n3)c(N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000737645040 1447045099 /nfs/dbraw/zinc/04/50/99/1447045099.db2.gz OMPIUIQLACMMSO-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826217704 1447051588 /nfs/dbraw/zinc/05/15/88/1447051588.db2.gz YXUAEIODHMHGDF-JLTOFOAXSA-N 0 1 379.464 3.310 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC1CCCC1 ZINC000821586054 1447065057 /nfs/dbraw/zinc/06/50/57/1447065057.db2.gz HTZNEZRQYTVTME-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3cn4cccc(C)c4n3)c2c1 ZINC000826263621 1447065760 /nfs/dbraw/zinc/06/57/60/1447065760.db2.gz KHNPPKQXUHJWRN-UHFFFAOYSA-N 0 1 384.447 3.022 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3cn4cccc(C)c4n3)c2c1 ZINC000826263621 1447065762 /nfs/dbraw/zinc/06/57/62/1447065762.db2.gz KHNPPKQXUHJWRN-UHFFFAOYSA-N 0 1 384.447 3.022 20 0 GGADMN CC1CC[NH+](C2CCC(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824956103 1447066268 /nfs/dbraw/zinc/06/62/68/1447066268.db2.gz QHNASDYXPUQBLK-IZZDOVSWSA-N 0 1 394.523 3.039 20 0 GGADMN COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826099000 1447076393 /nfs/dbraw/zinc/07/63/93/1447076393.db2.gz VONQWTLLHKKUAQ-KRWDZBQOSA-N 0 1 383.427 3.036 20 0 GGADMN c1cc2c(o1)CCC[C@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826518203 1447089919 /nfs/dbraw/zinc/08/99/19/1447089919.db2.gz FIOCXAGSKAZVIR-LJQANCHMSA-N 0 1 378.480 3.091 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccccc1-c1nn[n-]n1 ZINC000737838184 1447098203 /nfs/dbraw/zinc/09/82/03/1447098203.db2.gz KBUNGIVMIYGPMR-FQEVSTJZSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000737838184 1447098207 /nfs/dbraw/zinc/09/82/07/1447098207.db2.gz KBUNGIVMIYGPMR-FQEVSTJZSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1ccccc1-c1nnn[n-]1 ZINC000737838184 1447098212 /nfs/dbraw/zinc/09/82/12/1447098212.db2.gz KBUNGIVMIYGPMR-FQEVSTJZSA-N 0 1 388.475 3.347 20 0 GGADMN C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000820426841 1447106749 /nfs/dbraw/zinc/10/67/49/1447106749.db2.gz OEYGEMIZUGSPBS-CYBMUJFWSA-N 0 1 383.477 3.179 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000823675515 1447119356 /nfs/dbraw/zinc/11/93/56/1447119356.db2.gz XATDRXWLWIARQF-WMZOPIPTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675515 1447119357 /nfs/dbraw/zinc/11/93/57/1447119357.db2.gz XATDRXWLWIARQF-WMZOPIPTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675515 1447119358 /nfs/dbraw/zinc/11/93/58/1447119358.db2.gz XATDRXWLWIARQF-WMZOPIPTSA-N 0 1 399.520 3.285 20 0 GGADMN Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000822230864 1447120431 /nfs/dbraw/zinc/12/04/31/1447120431.db2.gz SIAWTVUXYKUPOG-MRXNPFEDSA-N 0 1 377.496 3.198 20 0 GGADMN COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821694660 1447129133 /nfs/dbraw/zinc/12/91/33/1447129133.db2.gz XBWCTDKLQOPKEU-CQSZACIVSA-N 0 1 399.520 3.465 20 0 GGADMN Clc1ccc(CN(CC[NH+]2CCCC2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000822574355 1447130163 /nfs/dbraw/zinc/13/01/63/1447130163.db2.gz SLBXYTYPFQLAQL-UHFFFAOYSA-N 0 1 383.887 3.018 20 0 GGADMN CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821449913 1447147205 /nfs/dbraw/zinc/14/72/05/1447147205.db2.gz YEOGYMGTGUGONS-QWHCGFSZSA-N 0 1 394.570 3.090 20 0 GGADMN c1cc(C[NH2+]CCOC2CCC2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751422 1447150203 /nfs/dbraw/zinc/15/02/03/1447150203.db2.gz JJOFSDLXDINCKH-UHFFFAOYSA-N 0 1 379.464 3.104 20 0 GGADMN Clc1cccnc1N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826353717 1447173353 /nfs/dbraw/zinc/17/33/53/1447173353.db2.gz BIHYYIVLLPNNTM-CRAIPNDOSA-N 0 1 395.898 3.161 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737334113 1447176252 /nfs/dbraw/zinc/17/62/52/1447176252.db2.gz XUHVGXFEUKEDKN-QGZVFWFLSA-N 0 1 390.451 3.130 20 0 GGADMN Cc1ccc([C@H]2CCC[N@H+]2Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737334113 1447176254 /nfs/dbraw/zinc/17/62/54/1447176254.db2.gz XUHVGXFEUKEDKN-QGZVFWFLSA-N 0 1 390.451 3.130 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824569595 1447196952 /nfs/dbraw/zinc/19/69/52/1447196952.db2.gz JBQYPOZGSLMCDX-LRDDRELGSA-N 0 1 391.397 3.140 20 0 GGADMN C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577936 1447197320 /nfs/dbraw/zinc/19/73/20/1447197320.db2.gz PITVYUWMRJKIMB-INIZCTEOSA-N 0 1 386.569 3.269 20 0 GGADMN CSc1ccccc1C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826231351 1447202971 /nfs/dbraw/zinc/20/29/71/1447202971.db2.gz HUHUUPXDXHILLD-UHFFFAOYSA-N 0 1 380.521 3.301 20 0 GGADMN CSc1ccccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826231351 1447202976 /nfs/dbraw/zinc/20/29/76/1447202976.db2.gz HUHUUPXDXHILLD-UHFFFAOYSA-N 0 1 380.521 3.301 20 0 GGADMN CSc1ccccc1C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826231351 1447202981 /nfs/dbraw/zinc/20/29/81/1447202981.db2.gz HUHUUPXDXHILLD-UHFFFAOYSA-N 0 1 380.521 3.301 20 0 GGADMN CC(C)C[C@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nccs1 ZINC000824235265 1447203502 /nfs/dbraw/zinc/20/35/02/1447203502.db2.gz DZXBKHFGJDEBFZ-DOMZBBRYSA-N 0 1 385.497 3.027 20 0 GGADMN COc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]2CCCO2)c1 ZINC000826215985 1447206343 /nfs/dbraw/zinc/20/63/43/1447206343.db2.gz FWJLGGTZYYMIMV-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000823767860 1447221636 /nfs/dbraw/zinc/22/16/36/1447221636.db2.gz ZMCRUIBQZWBOSF-UHFFFAOYSA-N 0 1 397.504 3.301 20 0 GGADMN Cn1cc(C[NH2+]CCc2ccc(Cl)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361553 1447231153 /nfs/dbraw/zinc/23/11/53/1447231153.db2.gz CDKAXPCRLSEUSX-UHFFFAOYSA-N 0 1 393.882 3.253 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964945 1447238765 /nfs/dbraw/zinc/23/87/65/1447238765.db2.gz UOLTXINNBULYJN-SFHVURJKSA-N 0 1 380.427 3.172 20 0 GGADMN c1cc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc(N2CCCCC2)[nH+]1 ZINC000826516495 1447244046 /nfs/dbraw/zinc/24/40/46/1447244046.db2.gz MWWOANYVRMYCTI-UHFFFAOYSA-N 0 1 386.463 3.412 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891137 1447248835 /nfs/dbraw/zinc/24/88/35/1447248835.db2.gz WJRPNJFVYHVHRP-OALUTQOASA-N 0 1 379.464 3.136 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821596847 1447256569 /nfs/dbraw/zinc/25/65/69/1447256569.db2.gz WTNZEDBTHPMXQU-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821596847 1447256574 /nfs/dbraw/zinc/25/65/74/1447256574.db2.gz WTNZEDBTHPMXQU-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821596847 1447256579 /nfs/dbraw/zinc/25/65/79/1447256579.db2.gz WTNZEDBTHPMXQU-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)[NH+]2CCCC2)cc1 ZINC000826284250 1447266393 /nfs/dbraw/zinc/26/63/93/1447266393.db2.gz NXGCGMNHDQWOJJ-HXUWFJFHSA-N 0 1 390.491 3.050 20 0 GGADMN C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000826028985 1447295372 /nfs/dbraw/zinc/29/53/72/1447295372.db2.gz LSHUSYAQFIELRI-DLBZAZTESA-N 0 1 397.870 3.087 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000826028985 1447295377 /nfs/dbraw/zinc/29/53/77/1447295377.db2.gz LSHUSYAQFIELRI-DLBZAZTESA-N 0 1 397.870 3.087 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1ccc(F)cc1 ZINC000735549627 1447299287 /nfs/dbraw/zinc/29/92/87/1447299287.db2.gz BQFJWSVUMXMCMI-LLVKDONJSA-N 0 1 388.834 3.118 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000735549627 1447299294 /nfs/dbraw/zinc/29/92/94/1447299294.db2.gz BQFJWSVUMXMCMI-LLVKDONJSA-N 0 1 388.834 3.118 20 0 GGADMN CC[N@@H+]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825453221 1447300551 /nfs/dbraw/zinc/30/05/51/1447300551.db2.gz UOVRLWIKWXSQBA-RHSMWYFYSA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@H+]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825453221 1447300556 /nfs/dbraw/zinc/30/05/56/1447300556.db2.gz UOVRLWIKWXSQBA-RHSMWYFYSA-N 0 1 387.850 3.302 20 0 GGADMN COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000826212011 1447307392 /nfs/dbraw/zinc/30/73/92/1447307392.db2.gz CYULLXHCISTVPQ-AWEZNQCLSA-N 0 1 392.438 3.143 20 0 GGADMN COc1ccc(C2(C[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000821783136 1447311901 /nfs/dbraw/zinc/31/19/01/1447311901.db2.gz XMBPJXCTHSFJEV-MRXNPFEDSA-N 0 1 393.491 3.274 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000737031963 1447324821 /nfs/dbraw/zinc/32/48/21/1447324821.db2.gz IVRQIMLJEFZLJF-GOSISDBHSA-N 0 1 379.464 3.400 20 0 GGADMN O[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682166 1449016562 /nfs/dbraw/zinc/01/65/62/1449016562.db2.gz NIGDXYBDSPMRIL-FGZHOGPDSA-N 0 1 385.471 3.474 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000823821016 1449018154 /nfs/dbraw/zinc/01/81/54/1449018154.db2.gz NOHGCESCEDEYGD-KRWDZBQOSA-N 0 1 392.301 3.022 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000823821016 1449018159 /nfs/dbraw/zinc/01/81/59/1449018159.db2.gz NOHGCESCEDEYGD-KRWDZBQOSA-N 0 1 392.301 3.022 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000823821016 1449018162 /nfs/dbraw/zinc/01/81/62/1449018162.db2.gz NOHGCESCEDEYGD-KRWDZBQOSA-N 0 1 392.301 3.022 20 0 GGADMN Cn1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360641 1449029680 /nfs/dbraw/zinc/02/96/80/1449029680.db2.gz SEGPGFFJEFSWDX-LJQANCHMSA-N 0 1 389.438 3.353 20 0 GGADMN Cn1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360641 1449029687 /nfs/dbraw/zinc/02/96/87/1449029687.db2.gz SEGPGFFJEFSWDX-LJQANCHMSA-N 0 1 389.438 3.353 20 0 GGADMN CCOc1cc2c(cc1C[NH2+]Cc1ccc(-c3nnn[n-]3)cc1F)O[C@@H](C)C2 ZINC000736635341 1449042029 /nfs/dbraw/zinc/04/20/29/1449042029.db2.gz MNJFCYGQBGWSON-LBPRGKRZSA-N 0 1 383.427 3.018 20 0 GGADMN C[C@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824590787 1449062858 /nfs/dbraw/zinc/06/28/58/1449062858.db2.gz DEWPZJCOTCMWKG-INIZCTEOSA-N 0 1 389.463 3.172 20 0 GGADMN CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821095168 1449063705 /nfs/dbraw/zinc/06/37/05/1449063705.db2.gz ZUKUBKRSMJPMFW-UHFFFAOYSA-N 0 1 380.452 3.057 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821095168 1449063710 /nfs/dbraw/zinc/06/37/10/1449063710.db2.gz ZUKUBKRSMJPMFW-UHFFFAOYSA-N 0 1 380.452 3.057 20 0 GGADMN c1sc(CNc2ccc(OCC[NH+]3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000823762380 1449066468 /nfs/dbraw/zinc/06/64/68/1449066468.db2.gz NLMFAEQMMXIZCQ-UHFFFAOYSA-N 0 1 384.509 3.405 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H]1CCOC1 ZINC000825435215 1449088850 /nfs/dbraw/zinc/08/88/50/1449088850.db2.gz PWBUYLOKIHWMLL-GOSISDBHSA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCOC1 ZINC000825435215 1449088857 /nfs/dbraw/zinc/08/88/57/1449088857.db2.gz PWBUYLOKIHWMLL-GOSISDBHSA-N 0 1 393.491 3.304 20 0 GGADMN CC[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCOC1 ZINC000825435215 1449088862 /nfs/dbraw/zinc/08/88/62/1449088862.db2.gz PWBUYLOKIHWMLL-GOSISDBHSA-N 0 1 393.491 3.304 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1(C)CCCCC1 ZINC000825866059 1449122330 /nfs/dbraw/zinc/12/23/30/1449122330.db2.gz QCXJXWVCDIIYRW-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CC[N@@H+](CCc1nc2ccccc2n1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736541874 1449124208 /nfs/dbraw/zinc/12/42/08/1449124208.db2.gz LQQBCWKHQLPXTN-HNNXBMFYSA-N 0 1 375.480 3.379 20 0 GGADMN CC[N@H+](CCc1nc2ccccc2n1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736541874 1449124211 /nfs/dbraw/zinc/12/42/11/1449124211.db2.gz LQQBCWKHQLPXTN-HNNXBMFYSA-N 0 1 375.480 3.379 20 0 GGADMN CC[N@@H+](CCc1nc2ccccc2n1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736541874 1449124213 /nfs/dbraw/zinc/12/42/13/1449124213.db2.gz LQQBCWKHQLPXTN-HNNXBMFYSA-N 0 1 375.480 3.379 20 0 GGADMN CC[N@@H+](CCOc1ccccc1C(=O)OC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825424667 1449134668 /nfs/dbraw/zinc/13/46/68/1449134668.db2.gz NJVZUNREPIVKHQ-HNNXBMFYSA-N 0 1 395.463 3.115 20 0 GGADMN c1ccc([C@H]([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)C2CCOCC2)cc1 ZINC000826520471 1449142153 /nfs/dbraw/zinc/14/21/53/1449142153.db2.gz KDTHYSOSZFNNTP-FQEVSTJZSA-N 0 1 379.464 3.003 20 0 GGADMN CC[NH+](CC)CCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825413105 1449143076 /nfs/dbraw/zinc/14/30/76/1449143076.db2.gz XQEHGCIGSVTRFB-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN C[C@H](Cc1cccs1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824457290 1449144096 /nfs/dbraw/zinc/14/40/96/1449144096.db2.gz JCGFODCUSGUHRW-OAHLLOKOSA-N 0 1 382.537 3.113 20 0 GGADMN c1nc(C2CC2)sc1C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826517460 1449164389 /nfs/dbraw/zinc/16/43/89/1449164389.db2.gz CVEXVMVMLFFQMW-UHFFFAOYSA-N 0 1 397.508 3.075 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000737033851 1449166792 /nfs/dbraw/zinc/16/67/92/1449166792.db2.gz ZXMHBTKSZYPDHF-UHFFFAOYSA-N 0 1 397.454 3.100 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000737033851 1449166797 /nfs/dbraw/zinc/16/67/97/1449166797.db2.gz ZXMHBTKSZYPDHF-UHFFFAOYSA-N 0 1 397.454 3.100 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000737033851 1449166804 /nfs/dbraw/zinc/16/68/04/1449166804.db2.gz ZXMHBTKSZYPDHF-UHFFFAOYSA-N 0 1 397.454 3.100 20 0 GGADMN CCC(CC)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)OC(C)(C)C ZINC000820887381 1449179919 /nfs/dbraw/zinc/17/99/19/1449179919.db2.gz BIXMGHZUXYYYKZ-UHFFFAOYSA-N 0 1 392.479 3.179 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccccc2NCc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000820760713 1449179976 /nfs/dbraw/zinc/17/99/76/1449179976.db2.gz SAPQCRYXKIZUPS-HZPDHXFCSA-N 0 1 378.480 3.088 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820561777 1449189695 /nfs/dbraw/zinc/18/96/95/1449189695.db2.gz AFYBDEJZKVPNPQ-OHZJNBGDSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561777 1449189696 /nfs/dbraw/zinc/18/96/96/1449189696.db2.gz AFYBDEJZKVPNPQ-OHZJNBGDSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561777 1449189699 /nfs/dbraw/zinc/18/96/99/1449189699.db2.gz AFYBDEJZKVPNPQ-OHZJNBGDSA-N 0 1 399.520 3.066 20 0 GGADMN Clc1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC000737575576 1449198971 /nfs/dbraw/zinc/19/89/71/1449198971.db2.gz NCAIWONZAPWDKP-UHFFFAOYSA-N 0 1 397.914 3.060 20 0 GGADMN Clc1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC000737575576 1449198975 /nfs/dbraw/zinc/19/89/75/1449198975.db2.gz NCAIWONZAPWDKP-UHFFFAOYSA-N 0 1 397.914 3.060 20 0 GGADMN Clc1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC000737575576 1449198982 /nfs/dbraw/zinc/19/89/82/1449198982.db2.gz NCAIWONZAPWDKP-UHFFFAOYSA-N 0 1 397.914 3.060 20 0 GGADMN CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)[C@H]2CCO[C@H]21 ZINC000824789854 1449225406 /nfs/dbraw/zinc/22/54/06/1449225406.db2.gz JSWPAZZQVLEAIJ-VAMGGRTRSA-N 0 1 375.476 3.437 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822234942 1449236284 /nfs/dbraw/zinc/23/62/84/1449236284.db2.gz MKQRFLHVVDJVEL-CYBMUJFWSA-N 0 1 398.536 3.355 20 0 GGADMN C[C@@H](CSC(C)(C)C)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824450382 1449240972 /nfs/dbraw/zinc/24/09/72/1449240972.db2.gz WBOVWFDIXSNGFY-JEYLPNPQSA-N 0 1 390.557 3.462 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582627 1449246436 /nfs/dbraw/zinc/24/64/36/1449246436.db2.gz MDTKEPGJUPGOJC-ZWKOTPCHSA-N 0 1 395.511 3.074 20 0 GGADMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582627 1449246442 /nfs/dbraw/zinc/24/64/42/1449246442.db2.gz MDTKEPGJUPGOJC-ZWKOTPCHSA-N 0 1 395.511 3.074 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582627 1449246448 /nfs/dbraw/zinc/24/64/48/1449246448.db2.gz MDTKEPGJUPGOJC-ZWKOTPCHSA-N 0 1 395.511 3.074 20 0 GGADMN Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826286192 1449248945 /nfs/dbraw/zinc/24/89/45/1449248945.db2.gz VBFBXNJHSOMKDO-GOSISDBHSA-N 0 1 391.504 3.113 20 0 GGADMN Cc1ccc([C@H]2CSCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826286192 1449248954 /nfs/dbraw/zinc/24/89/54/1449248954.db2.gz VBFBXNJHSOMKDO-GOSISDBHSA-N 0 1 391.504 3.113 20 0 GGADMN COc1ccc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1-c1nnn[n-]1 ZINC000826203754 1449265373 /nfs/dbraw/zinc/26/53/73/1449265373.db2.gz DVXDSCWKXRJVOR-UHFFFAOYSA-N 0 1 375.436 3.252 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1C1CCC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737843645 1449274838 /nfs/dbraw/zinc/27/48/38/1449274838.db2.gz LVJOWLOIXUSTJG-AWEZNQCLSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1C1CCC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737843645 1449274840 /nfs/dbraw/zinc/27/48/40/1449274840.db2.gz LVJOWLOIXUSTJG-AWEZNQCLSA-N 0 1 386.525 3.010 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1C1CCC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737843645 1449274843 /nfs/dbraw/zinc/27/48/43/1449274843.db2.gz LVJOWLOIXUSTJG-AWEZNQCLSA-N 0 1 386.525 3.010 20 0 GGADMN CCc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000736693124 1449279048 /nfs/dbraw/zinc/27/90/48/1449279048.db2.gz YCLROMZJHXFVTD-UHFFFAOYSA-N 0 1 390.491 3.422 20 0 GGADMN CCc1ccc(C[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736693124 1449279053 /nfs/dbraw/zinc/27/90/53/1449279053.db2.gz YCLROMZJHXFVTD-UHFFFAOYSA-N 0 1 390.491 3.422 20 0 GGADMN CCc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736693124 1449279056 /nfs/dbraw/zinc/27/90/56/1449279056.db2.gz YCLROMZJHXFVTD-UHFFFAOYSA-N 0 1 390.491 3.422 20 0 GGADMN Cc1nccn1-c1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826331047 1449284863 /nfs/dbraw/zinc/28/48/63/1449284863.db2.gz REGSQNAIPFSFQP-HNNXBMFYSA-N 0 1 389.463 3.090 20 0 GGADMN Fc1cc(Br)ccc1CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000737645285 1449307383 /nfs/dbraw/zinc/30/73/83/1449307383.db2.gz VVJAGZGBUCDZFQ-UHFFFAOYSA-N 0 1 376.233 3.101 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612675 1449343965 /nfs/dbraw/zinc/34/39/65/1449343965.db2.gz ORIXQJMHNIZNKP-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921981 1449349737 /nfs/dbraw/zinc/34/97/37/1449349737.db2.gz CKZTYIQOJUYEOP-LJQANCHMSA-N 0 1 395.507 3.255 20 0 GGADMN CCCC[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000821065905 1449354090 /nfs/dbraw/zinc/35/40/90/1449354090.db2.gz OJQAVGPEZHIESR-UHFFFAOYSA-N 0 1 387.438 3.370 20 0 GGADMN CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825654342 1449372115 /nfs/dbraw/zinc/37/21/15/1449372115.db2.gz XXCHQNKIXZEUPR-HNNXBMFYSA-N 0 1 398.467 3.155 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1sccc1-c1nn[n-]n1 ZINC000737836605 1449374651 /nfs/dbraw/zinc/37/46/51/1449374651.db2.gz CJMUZLYPAQTSEZ-UHFFFAOYSA-N 0 1 386.456 3.061 20 0 GGADMN O=C(CC[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737836605 1449374656 /nfs/dbraw/zinc/37/46/56/1449374656.db2.gz CJMUZLYPAQTSEZ-UHFFFAOYSA-N 0 1 386.456 3.061 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737836605 1449374663 /nfs/dbraw/zinc/37/46/63/1449374663.db2.gz CJMUZLYPAQTSEZ-UHFFFAOYSA-N 0 1 386.456 3.061 20 0 GGADMN c1cnn(-c2ccc(C[NH2+]CCSCc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826519560 1449383527 /nfs/dbraw/zinc/38/35/27/1449383527.db2.gz DGAKORYVKXGGSX-UHFFFAOYSA-N 0 1 391.504 3.075 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000736134927 1449418002 /nfs/dbraw/zinc/41/80/02/1449418002.db2.gz WLKBBCZIMDSIQT-ZDUSSCGKSA-N 0 1 384.434 3.465 20 0 GGADMN CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825434676 1449434783 /nfs/dbraw/zinc/43/47/83/1449434783.db2.gz DKIGYPPJDOQQJR-CYBMUJFWSA-N 0 1 384.871 3.369 20 0 GGADMN CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825434676 1449434786 /nfs/dbraw/zinc/43/47/86/1449434786.db2.gz DKIGYPPJDOQQJR-CYBMUJFWSA-N 0 1 384.871 3.369 20 0 GGADMN O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826399027 1449443561 /nfs/dbraw/zinc/44/35/61/1449443561.db2.gz KQNJDAKJUPZETQ-QUCCMNQESA-N 0 1 394.523 3.015 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000737033886 1449446910 /nfs/dbraw/zinc/44/69/10/1449446910.db2.gz VLBXTDDPEGXVGO-SFHVURJKSA-N 0 1 379.464 3.264 20 0 GGADMN Fc1cc(Br)cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822748464 1449449346 /nfs/dbraw/zinc/44/93/46/1449449346.db2.gz ZRMVGUUSNLQUFP-UHFFFAOYSA-N 0 1 380.196 3.197 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820561778 1449475422 /nfs/dbraw/zinc/47/54/22/1449475422.db2.gz AFYBDEJZKVPNPQ-WQIZZMQYSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561778 1449475427 /nfs/dbraw/zinc/47/54/27/1449475427.db2.gz AFYBDEJZKVPNPQ-WQIZZMQYSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561778 1449475431 /nfs/dbraw/zinc/47/54/31/1449475431.db2.gz AFYBDEJZKVPNPQ-WQIZZMQYSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N(C)Cc1ccccc1 ZINC000824426470 1449478881 /nfs/dbraw/zinc/47/88/81/1449478881.db2.gz FWWOCBYJVXWHJA-IERDGZPVSA-N 0 1 376.508 3.354 20 0 GGADMN CC(C)(C)C[NH+](CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC(C)(C)C ZINC000824086888 1449486571 /nfs/dbraw/zinc/48/65/71/1449486571.db2.gz PHHKZZQHUWQIEX-UHFFFAOYSA-N 0 1 393.557 3.035 20 0 GGADMN COc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000826202795 1449489145 /nfs/dbraw/zinc/48/91/45/1449489145.db2.gz NCNFVBSJKFGUKD-UHFFFAOYSA-N 0 1 395.797 3.420 20 0 GGADMN CC(C)(C)Oc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)n1 ZINC000824124761 1449497993 /nfs/dbraw/zinc/49/79/93/1449497993.db2.gz ZKZLFSJZNOSFDO-UHFFFAOYSA-N 0 1 375.436 3.021 20 0 GGADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736797877 1449500292 /nfs/dbraw/zinc/50/02/92/1449500292.db2.gz OAKBUMFFVUONMQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736797877 1449500295 /nfs/dbraw/zinc/50/02/95/1449500295.db2.gz OAKBUMFFVUONMQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736797877 1449500301 /nfs/dbraw/zinc/50/03/01/1449500301.db2.gz OAKBUMFFVUONMQ-UHFFFAOYSA-N 0 1 391.454 3.461 20 0 GGADMN CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC000824756617 1449520976 /nfs/dbraw/zinc/52/09/76/1449520976.db2.gz PGFYGAJAFKMZST-AWEZNQCLSA-N 0 1 376.530 3.046 20 0 GGADMN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000821777670 1449537522 /nfs/dbraw/zinc/53/75/22/1449537522.db2.gz KVHGYSSAOVZGCR-QWHCGFSZSA-N 0 1 380.452 3.246 20 0 GGADMN CC[NH+](CC)Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000736530619 1449544740 /nfs/dbraw/zinc/54/47/40/1449544740.db2.gz KZZDLBDGEKHNND-UHFFFAOYSA-N 0 1 387.491 3.291 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820684383 1449558477 /nfs/dbraw/zinc/55/84/77/1449558477.db2.gz OVNGRJQZFDLISE-GASCZTMLSA-N 0 1 392.463 3.470 20 0 GGADMN CC[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(OC)cc1 ZINC000825146300 1449562744 /nfs/dbraw/zinc/56/27/44/1449562744.db2.gz BYLLOUUGIHKLLP-KRWDZBQOSA-N 0 1 391.435 3.166 20 0 GGADMN Cc1c(Cl)cnc(N2CC[NH+](CC=Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826237647 1449569950 /nfs/dbraw/zinc/56/99/50/1449569950.db2.gz HGKUAEJLPLHMIU-YVMONPNESA-N 0 1 395.898 3.059 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824545626 1449582876 /nfs/dbraw/zinc/58/28/76/1449582876.db2.gz DLGFSODUDZVTCJ-OCCSQVGLSA-N 0 1 390.463 3.056 20 0 GGADMN c1ccc(-c2noc(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)n2)cc1 ZINC000738425166 1449587726 /nfs/dbraw/zinc/58/77/26/1449587726.db2.gz KYFGMUQSVOIJAC-UHFFFAOYSA-N 0 1 387.447 3.124 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824572680 1449595178 /nfs/dbraw/zinc/59/51/78/1449595178.db2.gz WDHXCXDEZBIEOR-BEFAXECRSA-N 0 1 389.459 3.110 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736351130 1449619487 /nfs/dbraw/zinc/61/94/87/1449619487.db2.gz NZHSVZFLTCYAHJ-OAHLLOKOSA-N 0 1 384.509 3.210 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736351130 1449619489 /nfs/dbraw/zinc/61/94/89/1449619489.db2.gz NZHSVZFLTCYAHJ-OAHLLOKOSA-N 0 1 384.509 3.210 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736351130 1449619491 /nfs/dbraw/zinc/61/94/91/1449619491.db2.gz NZHSVZFLTCYAHJ-OAHLLOKOSA-N 0 1 384.509 3.210 20 0 GGADMN O=C(CN1CCCC[C@H]1c1ccc(F)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822998016 1449621908 /nfs/dbraw/zinc/62/19/08/1449621908.db2.gz YQBXFRJYFFWMED-HNNXBMFYSA-N 0 1 386.456 3.233 20 0 GGADMN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000821777671 1449634252 /nfs/dbraw/zinc/63/42/52/1449634252.db2.gz KVHGYSSAOVZGCR-STQMWFEESA-N 0 1 380.452 3.246 20 0 GGADMN Cc1cc[nH+]c(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1-c1nnn[n-]1 ZINC000826310292 1449644335 /nfs/dbraw/zinc/64/43/35/1449644335.db2.gz RALXVTQJRDULFZ-CYBMUJFWSA-N 0 1 381.509 3.289 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736899503 1449653535 /nfs/dbraw/zinc/65/35/35/1449653535.db2.gz AZWWVIMSJBFWFP-FMEYXAORSA-N 0 1 395.438 3.098 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000736899503 1449653541 /nfs/dbraw/zinc/65/35/41/1449653541.db2.gz AZWWVIMSJBFWFP-FMEYXAORSA-N 0 1 395.438 3.098 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC000820722961 1449669057 /nfs/dbraw/zinc/66/90/57/1449669057.db2.gz SGLHKTWWPLWQQP-RHSMWYFYSA-N 0 1 380.452 3.262 20 0 GGADMN Clc1ccccc1OC1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000826353849 1449678942 /nfs/dbraw/zinc/67/89/42/1449678942.db2.gz GMHGCDSFIMOHKX-UHFFFAOYSA-N 0 1 396.882 3.452 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820915327 1449697098 /nfs/dbraw/zinc/69/70/98/1449697098.db2.gz VGSIZEHDLVOTGI-FQEVSTJZSA-N 0 1 392.507 3.457 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820915327 1449697102 /nfs/dbraw/zinc/69/71/02/1449697102.db2.gz VGSIZEHDLVOTGI-FQEVSTJZSA-N 0 1 392.507 3.457 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820915327 1449697106 /nfs/dbraw/zinc/69/71/06/1449697106.db2.gz VGSIZEHDLVOTGI-FQEVSTJZSA-N 0 1 392.507 3.457 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@@H+]1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375849 1449700143 /nfs/dbraw/zinc/70/01/43/1449700143.db2.gz DXHXMXJYFBAKMA-UXHICEINSA-N 0 1 379.439 3.457 20 0 GGADMN Fc1ccc2c(c1)[C@H]([N@H+]1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CCC2 ZINC000826375849 1449700147 /nfs/dbraw/zinc/70/01/47/1449700147.db2.gz DXHXMXJYFBAKMA-UXHICEINSA-N 0 1 379.439 3.457 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824573706 1449722255 /nfs/dbraw/zinc/72/22/55/1449722255.db2.gz ZTXAHJSMVNXMSZ-ZBEGNZNMSA-N 0 1 377.370 3.270 20 0 GGADMN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821581242 1449732312 /nfs/dbraw/zinc/73/23/12/1449732312.db2.gz HAZNJKXPEOXKPH-JKSUJKDBSA-N 0 1 390.491 3.136 20 0 GGADMN CN(CCCC[NH+](C)C)C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821584723 1449732508 /nfs/dbraw/zinc/73/25/08/1449732508.db2.gz PZZLJJWMHKRCKX-UHFFFAOYSA-N 0 1 393.495 3.024 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000824899741 1449733044 /nfs/dbraw/zinc/73/30/44/1449733044.db2.gz NQRCAMIYZYTKOE-CRAIPNDOSA-N 0 1 378.480 3.295 20 0 GGADMN COc1ccc(C[N@@H+](Cc2ccc(F)cc2-c2nnn[n-]2)[C@H](CO)C(C)C)cc1 ZINC000826193854 1449739036 /nfs/dbraw/zinc/73/90/36/1449739036.db2.gz RVNOOMHSJDSMFZ-HXUWFJFHSA-N 0 1 399.470 3.034 20 0 GGADMN Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826310547 1449747411 /nfs/dbraw/zinc/74/74/11/1449747411.db2.gz YXWBEHBWUHKFQV-MOPGFXCFSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310547 1449747416 /nfs/dbraw/zinc/74/74/16/1449747416.db2.gz YXWBEHBWUHKFQV-MOPGFXCFSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826310547 1449747419 /nfs/dbraw/zinc/74/74/19/1449747419.db2.gz YXWBEHBWUHKFQV-MOPGFXCFSA-N 0 1 389.507 3.061 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000820556498 1449748893 /nfs/dbraw/zinc/74/88/93/1449748893.db2.gz UBFUIRHMTYTBOB-AWEZNQCLSA-N 0 1 388.516 3.410 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000820556498 1449748899 /nfs/dbraw/zinc/74/88/99/1449748899.db2.gz UBFUIRHMTYTBOB-AWEZNQCLSA-N 0 1 388.516 3.410 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000820556498 1449748903 /nfs/dbraw/zinc/74/89/03/1449748903.db2.gz UBFUIRHMTYTBOB-AWEZNQCLSA-N 0 1 388.516 3.410 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825127386 1449751363 /nfs/dbraw/zinc/75/13/63/1449751363.db2.gz MJFSBDWBKBKKQM-SFHVURJKSA-N 0 1 375.480 3.276 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825127386 1449751368 /nfs/dbraw/zinc/75/13/68/1449751368.db2.gz MJFSBDWBKBKKQM-SFHVURJKSA-N 0 1 375.480 3.276 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825127386 1449751373 /nfs/dbraw/zinc/75/13/73/1449751373.db2.gz MJFSBDWBKBKKQM-SFHVURJKSA-N 0 1 375.480 3.276 20 0 GGADMN Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094522 1449772328 /nfs/dbraw/zinc/77/23/28/1449772328.db2.gz CTVUXKJUQBACIT-REPLKXPHSA-N 0 1 392.511 3.258 20 0 GGADMN Cc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1C ZINC000826298343 1449773221 /nfs/dbraw/zinc/77/32/21/1449773221.db2.gz ORQZKKDDWZBUIZ-UHFFFAOYSA-N 0 1 378.480 3.358 20 0 GGADMN C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820298825 1449775133 /nfs/dbraw/zinc/77/51/33/1449775133.db2.gz AYCGCLIGYGBJAY-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822237105 1449787773 /nfs/dbraw/zinc/78/77/73/1449787773.db2.gz FJWYSSNIRMIIGV-UHFFFAOYSA-N 0 1 386.550 3.398 20 0 GGADMN CC[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)cc1 ZINC000825143006 1449802784 /nfs/dbraw/zinc/80/27/84/1449802784.db2.gz UQTQXDABGCSDTP-QGZVFWFLSA-N 0 1 383.452 3.004 20 0 GGADMN Cc1sc(NC(=O)CN(C)[C@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229269 1449803998 /nfs/dbraw/zinc/80/39/98/1449803998.db2.gz QQNDYCCYRIJOQC-CYBMUJFWSA-N 0 1 384.509 3.485 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229269 1449804005 /nfs/dbraw/zinc/80/40/05/1449804005.db2.gz QQNDYCCYRIJOQC-CYBMUJFWSA-N 0 1 384.509 3.485 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822229269 1449804011 /nfs/dbraw/zinc/80/40/11/1449804011.db2.gz QQNDYCCYRIJOQC-CYBMUJFWSA-N 0 1 384.509 3.485 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000736235131 1449808977 /nfs/dbraw/zinc/80/89/77/1449808977.db2.gz MLOIVSJZFUAVHQ-IIDMSEBBSA-N 0 1 376.464 3.072 20 0 GGADMN Cc1cccc(C)c1C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826296750 1449844949 /nfs/dbraw/zinc/84/49/49/1449844949.db2.gz IDTUTIWOOMUVBH-UHFFFAOYSA-N 0 1 376.508 3.238 20 0 GGADMN C[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824962776 1449849188 /nfs/dbraw/zinc/84/91/88/1449849188.db2.gz YBORZYZGNPZHTB-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000824962776 1449849195 /nfs/dbraw/zinc/84/91/95/1449849195.db2.gz YBORZYZGNPZHTB-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824962776 1449849202 /nfs/dbraw/zinc/84/92/02/1449849202.db2.gz YBORZYZGNPZHTB-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826201817 1449873261 /nfs/dbraw/zinc/87/32/61/1449873261.db2.gz FKBRMERAKCSHCJ-LPHOPBHVSA-N 0 1 379.464 3.133 20 0 GGADMN COc1ccc([C@H](C)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826188503 1449881885 /nfs/dbraw/zinc/88/18/85/1449881885.db2.gz YVUBMSZOEAKDFC-AWEZNQCLSA-N 0 1 383.452 3.004 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000736198028 1449885419 /nfs/dbraw/zinc/88/54/19/1449885419.db2.gz PKUSUWVCHXGSGU-CQSZACIVSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824532481 1449902911 /nfs/dbraw/zinc/90/29/11/1449902911.db2.gz UTUDUQIJCYSJFB-FOIQADDNSA-N 0 1 380.471 3.494 20 0 GGADMN Cn1cc(C[NH2+]C[C@H]2CCc3ccccc3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360856 1449907622 /nfs/dbraw/zinc/90/76/22/1449907622.db2.gz ASSGTMDXVSVGRL-INIZCTEOSA-N 0 1 399.502 3.162 20 0 GGADMN C[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)[N@H+]1CCC[C@H](C)C1 ZINC000736265365 1449916663 /nfs/dbraw/zinc/91/66/63/1449916663.db2.gz ISJFRASXLZMUKV-NWDGAFQWSA-N 0 1 387.438 3.225 20 0 GGADMN C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000736265365 1449916667 /nfs/dbraw/zinc/91/66/67/1449916667.db2.gz ISJFRASXLZMUKV-NWDGAFQWSA-N 0 1 387.438 3.225 20 0 GGADMN C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[N@H+]1CCC[C@H](C)C1 ZINC000736265365 1449916672 /nfs/dbraw/zinc/91/66/72/1449916672.db2.gz ISJFRASXLZMUKV-NWDGAFQWSA-N 0 1 387.438 3.225 20 0 GGADMN CC1([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCOCC1 ZINC000824837641 1449917638 /nfs/dbraw/zinc/91/76/38/1449917638.db2.gz IKSAXTDJFRLQPO-UHFFFAOYSA-N 0 1 379.464 3.104 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H](C)c1cccc(OC)c1 ZINC000825435198 1449926967 /nfs/dbraw/zinc/92/69/67/1449926967.db2.gz PGFZKJSQRXMDGN-AWEZNQCLSA-N 0 1 395.463 3.245 20 0 GGADMN CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)c1cccc(OC)c1 ZINC000825435198 1449926971 /nfs/dbraw/zinc/92/69/71/1449926971.db2.gz PGFZKJSQRXMDGN-AWEZNQCLSA-N 0 1 395.463 3.245 20 0 GGADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)c1cccc(OC)c1 ZINC000825435198 1449926974 /nfs/dbraw/zinc/92/69/74/1449926974.db2.gz PGFZKJSQRXMDGN-AWEZNQCLSA-N 0 1 395.463 3.245 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000820944776 1449929667 /nfs/dbraw/zinc/92/96/67/1449929667.db2.gz OBLGFKJCFWUSKA-INIZCTEOSA-N 0 1 382.468 3.488 20 0 GGADMN CC(C)C[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)cc1 ZINC000820087642 1449938364 /nfs/dbraw/zinc/93/83/64/1449938364.db2.gz VCUAZAGBEDRJET-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1 ZINC000820087642 1449938367 /nfs/dbraw/zinc/93/83/67/1449938367.db2.gz VCUAZAGBEDRJET-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1 ZINC000820087642 1449938368 /nfs/dbraw/zinc/93/83/68/1449938368.db2.gz VCUAZAGBEDRJET-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824579161 1449947275 /nfs/dbraw/zinc/94/72/75/1449947275.db2.gz YDIQOTVJWHBDER-ZIAGYGMSSA-N 0 1 384.434 3.322 20 0 GGADMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CCCCC1 ZINC000819932985 1449948498 /nfs/dbraw/zinc/94/84/98/1449948498.db2.gz AMVWUTROOOPJCE-UHFFFAOYSA-N 0 1 392.529 3.245 20 0 GGADMN C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824548728 1449954426 /nfs/dbraw/zinc/95/44/26/1449954426.db2.gz YYLBXDPTWMFLIL-INIZCTEOSA-N 0 1 394.498 3.364 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3CCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000822540461 1449954590 /nfs/dbraw/zinc/95/45/90/1449954590.db2.gz BCQPUBXVYMMPTP-CYBMUJFWSA-N 0 1 386.500 3.306 20 0 GGADMN Cc1ccc([C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)cc1 ZINC000826285655 1449956922 /nfs/dbraw/zinc/95/69/22/1449956922.db2.gz GBYLJQHSXZTOHG-GOSISDBHSA-N 0 1 387.447 3.215 20 0 GGADMN CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820958441 1449958176 /nfs/dbraw/zinc/95/81/76/1449958176.db2.gz VKNJXPLUKIYBLN-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@@H](C)c3ccc4c(c3)OCO4)c2c1 ZINC000737248964 1449962745 /nfs/dbraw/zinc/96/27/45/1449962745.db2.gz PTEOYDLMEQWGRG-ZDUSSCGKSA-N 0 1 388.431 3.355 20 0 GGADMN Cc1cccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCCC2)c1 ZINC000737390688 1449964249 /nfs/dbraw/zinc/96/42/49/1449964249.db2.gz VHLFRSAQHGTQPV-UHFFFAOYSA-N 0 1 387.491 3.424 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000826372359 1449966253 /nfs/dbraw/zinc/96/62/53/1449966253.db2.gz SPFLWWFEHMKKJG-UHFFFAOYSA-N 0 1 392.482 3.498 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000826372359 1449966256 /nfs/dbraw/zinc/96/62/56/1449966256.db2.gz SPFLWWFEHMKKJG-UHFFFAOYSA-N 0 1 392.482 3.498 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000826372359 1449966261 /nfs/dbraw/zinc/96/62/61/1449966261.db2.gz SPFLWWFEHMKKJG-UHFFFAOYSA-N 0 1 392.482 3.498 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737504131 1449970774 /nfs/dbraw/zinc/97/07/74/1449970774.db2.gz PVRJVHFVSFAFQU-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN COc1ccccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826218827 1449991586 /nfs/dbraw/zinc/99/15/86/1449991586.db2.gz LSDWMIAJWBTOFH-MRXNPFEDSA-N 0 1 392.507 3.191 20 0 GGADMN Cc1ccc2ncc(C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC(C)C)n2c1 ZINC000826295443 1449999927 /nfs/dbraw/zinc/99/99/27/1449999927.db2.gz HWVQMIKWZKJOIQ-UHFFFAOYSA-N 0 1 375.480 3.481 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000736900919 1450002933 /nfs/dbraw/zinc/00/29/33/1450002933.db2.gz GXKPMNROPLWEHU-SIKLNZKXSA-N 0 1 391.475 3.135 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000736900919 1450002940 /nfs/dbraw/zinc/00/29/40/1450002940.db2.gz GXKPMNROPLWEHU-SIKLNZKXSA-N 0 1 391.475 3.135 20 0 GGADMN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736331529 1450017643 /nfs/dbraw/zinc/01/76/43/1450017643.db2.gz QHHQHJWZBYWSCN-OPAMFIHVSA-N 0 1 395.507 3.332 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820723176 1450053721 /nfs/dbraw/zinc/05/37/21/1450053721.db2.gz WQRSRAZAALLXQS-BFUOFWGJSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccc(F)c1 ZINC000820723176 1450053724 /nfs/dbraw/zinc/05/37/24/1450053724.db2.gz WQRSRAZAALLXQS-BFUOFWGJSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000736265974 1450054018 /nfs/dbraw/zinc/05/40/18/1450054018.db2.gz MCNNTQUJXRJTJZ-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824578089 1450054805 /nfs/dbraw/zinc/05/48/05/1450054805.db2.gz QOJDIUGZUMKFDJ-KGLIPLIRSA-N 0 1 384.434 3.322 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333758 1450068956 /nfs/dbraw/zinc/06/89/56/1450068956.db2.gz LPBFNZNZVUWKCW-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333758 1450068963 /nfs/dbraw/zinc/06/89/63/1450068963.db2.gz LPBFNZNZVUWKCW-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)N2CCCC2)cc1 ZINC000826189317 1450071588 /nfs/dbraw/zinc/07/15/88/1450071588.db2.gz SVQVJCQGDYFMGL-HRAATJIYSA-N 0 1 392.507 3.363 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000735773701 1450084034 /nfs/dbraw/zinc/08/40/34/1450084034.db2.gz XZWLCWRRWOZTCV-UZLBHIALSA-N 0 1 392.507 3.362 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824569791 1450094571 /nfs/dbraw/zinc/09/45/71/1450094571.db2.gz KFIDHBBXKKMQIZ-DNVCBOLYSA-N 0 1 395.507 3.255 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547194 1450131589 /nfs/dbraw/zinc/13/15/89/1450131589.db2.gz NDTQJQYDSPTGAV-YOEHRIQHSA-N 0 1 386.500 3.307 20 0 GGADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822352147 1450150837 /nfs/dbraw/zinc/15/08/37/1450150837.db2.gz VCCMKPCUWRNAGQ-IBGZPJMESA-N 0 1 376.464 3.341 20 0 GGADMN Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822352147 1450150844 /nfs/dbraw/zinc/15/08/44/1450150844.db2.gz VCCMKPCUWRNAGQ-IBGZPJMESA-N 0 1 376.464 3.341 20 0 GGADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822352147 1450150851 /nfs/dbraw/zinc/15/08/51/1450150851.db2.gz VCCMKPCUWRNAGQ-IBGZPJMESA-N 0 1 376.464 3.341 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820641112 1450157509 /nfs/dbraw/zinc/15/75/09/1450157509.db2.gz AFUPTORSACXLNM-LPHOPBHVSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820641112 1450157513 /nfs/dbraw/zinc/15/75/13/1450157513.db2.gz AFUPTORSACXLNM-LPHOPBHVSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820641112 1450157520 /nfs/dbraw/zinc/15/75/20/1450157520.db2.gz AFUPTORSACXLNM-LPHOPBHVSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2ccccc2C1 ZINC000824429869 1450167442 /nfs/dbraw/zinc/16/74/42/1450167442.db2.gz ZUARFHMFISPGIM-OPAMFIHVSA-N 0 1 388.519 3.281 20 0 GGADMN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Br)ccc1F ZINC000825953493 1450178488 /nfs/dbraw/zinc/17/84/88/1450178488.db2.gz IIIIJMAUJPUZON-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(Br)ccc1F ZINC000825953493 1450178493 /nfs/dbraw/zinc/17/84/93/1450178493.db2.gz IIIIJMAUJPUZON-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN COc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826194284 1450192767 /nfs/dbraw/zinc/19/27/67/1450192767.db2.gz HUASHMYPSAUSNT-UHFFFAOYSA-N 0 1 379.464 3.166 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821597836 1450197108 /nfs/dbraw/zinc/19/71/08/1450197108.db2.gz JCFDISUTBWIEBP-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821597836 1450197114 /nfs/dbraw/zinc/19/71/14/1450197114.db2.gz JCFDISUTBWIEBP-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821597836 1450197119 /nfs/dbraw/zinc/19/71/19/1450197119.db2.gz JCFDISUTBWIEBP-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736134528 1450205180 /nfs/dbraw/zinc/20/51/80/1450205180.db2.gz VTDLLENCLZQJGB-CYBMUJFWSA-N 0 1 397.458 3.257 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826212611 1450209924 /nfs/dbraw/zinc/20/99/24/1450209924.db2.gz VOHPUNPKGCXIJU-LJQANCHMSA-N 0 1 379.464 3.393 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212611 1450209927 /nfs/dbraw/zinc/20/99/27/1450209927.db2.gz VOHPUNPKGCXIJU-LJQANCHMSA-N 0 1 379.464 3.393 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826212611 1450209932 /nfs/dbraw/zinc/20/99/32/1450209932.db2.gz VOHPUNPKGCXIJU-LJQANCHMSA-N 0 1 379.464 3.393 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820431808 1450218621 /nfs/dbraw/zinc/21/86/21/1450218621.db2.gz HTNLBAKLGKCCNT-MGPUTAFESA-N 0 1 379.464 3.275 20 0 GGADMN COc1ccc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)cc1-c1nnn[n-]1 ZINC000826206609 1450219736 /nfs/dbraw/zinc/21/97/36/1450219736.db2.gz CVCLXNHJOJXIIY-UHFFFAOYSA-N 0 1 382.468 3.090 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000820086970 1450228888 /nfs/dbraw/zinc/22/88/88/1450228888.db2.gz IQDANRWOTOXOAB-OALUTQOASA-N 0 1 382.512 3.073 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000820086970 1450228895 /nfs/dbraw/zinc/22/88/95/1450228895.db2.gz IQDANRWOTOXOAB-OALUTQOASA-N 0 1 382.512 3.073 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824662124 1450233738 /nfs/dbraw/zinc/23/37/38/1450233738.db2.gz CXFFZNOIFHLIGZ-VXGBXAGGSA-N 0 1 395.433 3.345 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824662124 1450233740 /nfs/dbraw/zinc/23/37/40/1450233740.db2.gz CXFFZNOIFHLIGZ-VXGBXAGGSA-N 0 1 395.433 3.345 20 0 GGADMN C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824662124 1450233743 /nfs/dbraw/zinc/23/37/43/1450233743.db2.gz CXFFZNOIFHLIGZ-VXGBXAGGSA-N 0 1 395.433 3.345 20 0 GGADMN COc1ccc2[nH]cc(C3CCN(c4[nH+]ccc(C)c4-c4nnn[n-]4)CC3)c2c1 ZINC000826212749 1450236665 /nfs/dbraw/zinc/23/66/65/1450236665.db2.gz ZZUYEKUSFRWDJJ-UHFFFAOYSA-N 0 1 389.463 3.444 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826169996 1450243019 /nfs/dbraw/zinc/24/30/19/1450243019.db2.gz LNWSKQXMMCUGSQ-DNVCBOLYSA-N 0 1 379.464 3.133 20 0 GGADMN CC1CC[NH+](C[C@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)CC1 ZINC000824957779 1450243636 /nfs/dbraw/zinc/24/36/36/1450243636.db2.gz ZMUBQHSBVMQXSC-QGZVFWFLSA-N 0 1 391.523 3.363 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000826169487 1450259957 /nfs/dbraw/zinc/25/99/57/1450259957.db2.gz UODXUEABCNOICB-INIZCTEOSA-N 0 1 390.447 3.396 20 0 GGADMN C[NH+](C)CCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736758932 1450265409 /nfs/dbraw/zinc/26/54/09/1450265409.db2.gz KKTLVDYGSVRHAH-UHFFFAOYSA-N 0 1 380.452 3.329 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000823673755 1450286285 /nfs/dbraw/zinc/28/62/85/1450286285.db2.gz NKZPZEHWVGEYCC-AEFFLSMTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000823673755 1450286289 /nfs/dbraw/zinc/28/62/89/1450286289.db2.gz NKZPZEHWVGEYCC-AEFFLSMTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000823673755 1450286293 /nfs/dbraw/zinc/28/62/93/1450286293.db2.gz NKZPZEHWVGEYCC-AEFFLSMTSA-N 0 1 399.520 3.285 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820722073 1450286964 /nfs/dbraw/zinc/28/69/64/1450286964.db2.gz FIYJUJQFYQFCEU-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820722073 1450286966 /nfs/dbraw/zinc/28/69/66/1450286966.db2.gz FIYJUJQFYQFCEU-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820722073 1450286970 /nfs/dbraw/zinc/28/69/70/1450286970.db2.gz FIYJUJQFYQFCEU-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN O[C@@H](C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823680925 1450291533 /nfs/dbraw/zinc/29/15/33/1450291533.db2.gz BIUCMKVCPPVFOC-SJORKVTESA-N 0 1 392.488 3.347 20 0 GGADMN C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1c1ccccc1 ZINC000824860796 1450308422 /nfs/dbraw/zinc/30/84/22/1450308422.db2.gz XUNZYFLUSAWVSE-YSSFQJQWSA-N 0 1 389.507 3.012 20 0 GGADMN C[NH+](C)CCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736759014 1450324008 /nfs/dbraw/zinc/32/40/08/1450324008.db2.gz NCLBZTVHSYLHOE-UHFFFAOYSA-N 0 1 380.452 3.329 20 0 GGADMN C[C@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820726725 1450326300 /nfs/dbraw/zinc/32/63/00/1450326300.db2.gz BCWFNOSQOPVXCD-AWEZNQCLSA-N 0 1 384.434 3.246 20 0 GGADMN c1ccc(N2CCC[N@H+](Cc3ccc4ncccc4c3)CC2)c(-c2nnn[n-]2)c1 ZINC000826521998 1450340859 /nfs/dbraw/zinc/34/08/59/1450340859.db2.gz HNERATZHOATSQC-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(N2CCC[N@@H+](Cc3ccc4ncccc4c3)CC2)c(-c2nn[n-]n2)c1 ZINC000826521998 1450340861 /nfs/dbraw/zinc/34/08/61/1450340861.db2.gz HNERATZHOATSQC-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(N2CCC[N@H+](Cc3ccc4ncccc4c3)CC2)c(-c2nn[n-]n2)c1 ZINC000826521998 1450340864 /nfs/dbraw/zinc/34/08/64/1450340864.db2.gz HNERATZHOATSQC-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000736267860 1450341434 /nfs/dbraw/zinc/34/14/34/1450341434.db2.gz PSIPFVZCCNZOJC-NWDGAFQWSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000736267860 1450341439 /nfs/dbraw/zinc/34/14/39/1450341439.db2.gz PSIPFVZCCNZOJC-NWDGAFQWSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@H](CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000736267860 1450341443 /nfs/dbraw/zinc/34/14/43/1450341443.db2.gz PSIPFVZCCNZOJC-NWDGAFQWSA-N 0 1 393.948 3.069 20 0 GGADMN COc1cccc(O[C@@H](C)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826217707 1450344825 /nfs/dbraw/zinc/34/48/25/1450344825.db2.gz YXUAEIODHMHGDF-XOBRGWDASA-N 0 1 379.464 3.310 20 0 GGADMN CCc1cc2c(C[NH2+][C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc(=O)oc2cc1O ZINC000821476281 1450347026 /nfs/dbraw/zinc/34/70/26/1450347026.db2.gz LKILHWKJTFLYJI-LBPRGKRZSA-N 0 1 391.431 3.092 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc(COC3CCOCC3)cc2)[nH+]1 ZINC000826262923 1450356120 /nfs/dbraw/zinc/35/61/20/1450356120.db2.gz CZQGAANUBVOCQZ-UHFFFAOYSA-N 0 1 394.479 3.186 20 0 GGADMN Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(OC[C@H]2CCCO2)c1 ZINC000822238917 1450359830 /nfs/dbraw/zinc/35/98/30/1450359830.db2.gz ZPPWGEADVFIFRD-GOSISDBHSA-N 0 1 397.454 3.162 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3cnn(-c4ccccc4)c3)c2c1 ZINC000737248727 1450412766 /nfs/dbraw/zinc/41/27/66/1450412766.db2.gz MGQZHUHRYWVGOK-UHFFFAOYSA-N 0 1 396.458 3.251 20 0 GGADMN C[C@H]1OCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[C@H]1C ZINC000825019592 1450415748 /nfs/dbraw/zinc/41/57/48/1450415748.db2.gz FRNXXXIAQVPFDX-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]1OCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[C@H]1C ZINC000825019592 1450415756 /nfs/dbraw/zinc/41/57/56/1450415756.db2.gz FRNXXXIAQVPFDX-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN CC[N@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1C ZINC000821170521 1450419818 /nfs/dbraw/zinc/41/98/18/1450419818.db2.gz RUUWNQOTZGCJKH-UHFFFAOYSA-N 0 1 384.509 3.314 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1C ZINC000821170521 1450419821 /nfs/dbraw/zinc/41/98/21/1450419821.db2.gz RUUWNQOTZGCJKH-UHFFFAOYSA-N 0 1 384.509 3.314 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738151515 1450449613 /nfs/dbraw/zinc/44/96/13/1450449613.db2.gz JCPACGIZKBPQLY-AWEZNQCLSA-N 0 1 389.891 3.002 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820722905 1450459361 /nfs/dbraw/zinc/45/93/61/1450459361.db2.gz RFFHWBXQHWMNGC-PBHICJAKSA-N 0 1 380.452 3.262 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1)c1cccs1 ZINC000823675312 1450465147 /nfs/dbraw/zinc/46/51/47/1450465147.db2.gz VXAAELHKIOHTHO-DOTOQJQBSA-N 0 1 394.504 3.269 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1cccs1 ZINC000823675312 1450465149 /nfs/dbraw/zinc/46/51/49/1450465149.db2.gz VXAAELHKIOHTHO-DOTOQJQBSA-N 0 1 394.504 3.269 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1)c1cccs1 ZINC000823675312 1450465151 /nfs/dbraw/zinc/46/51/51/1450465151.db2.gz VXAAELHKIOHTHO-DOTOQJQBSA-N 0 1 394.504 3.269 20 0 GGADMN CCOCCOCc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821383774 1450469042 /nfs/dbraw/zinc/46/90/42/1450469042.db2.gz JHOBMUIQNVJVTA-MRXNPFEDSA-N 0 1 381.480 3.271 20 0 GGADMN COc1cccc(O[C@H](C)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826217706 1450471600 /nfs/dbraw/zinc/47/16/00/1450471600.db2.gz YXUAEIODHMHGDF-VLIAUNLRSA-N 0 1 379.464 3.310 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413965 1450477888 /nfs/dbraw/zinc/47/78/88/1450477888.db2.gz WJRVLNMCBDZQAN-LSDHHAIUSA-N 0 1 376.464 3.405 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821094669 1450487927 /nfs/dbraw/zinc/48/79/27/1450487927.db2.gz NSRUFAAWRCACKA-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821094669 1450487929 /nfs/dbraw/zinc/48/79/29/1450487929.db2.gz NSRUFAAWRCACKA-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821094669 1450487931 /nfs/dbraw/zinc/48/79/31/1450487931.db2.gz NSRUFAAWRCACKA-UHFFFAOYSA-N 0 1 394.479 3.116 20 0 GGADMN Cc1ccc(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)c(OC[C@H]2CCOC2)c1 ZINC000822238875 1450493679 /nfs/dbraw/zinc/49/36/79/1450493679.db2.gz YHCLJVYWYRNJAQ-INIZCTEOSA-N 0 1 394.479 3.214 20 0 GGADMN CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000824348031 1450522306 /nfs/dbraw/zinc/52/23/06/1450522306.db2.gz XGQIWKHKDHSRBR-VQTJNVASSA-N 0 1 390.491 3.184 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@H]21 ZINC001164668813 719391724 /nfs/dbraw/zinc/39/17/24/719391724.db2.gz SDKZLZHBDYLYOG-MOPGFXCFSA-N 0 1 380.879 3.469 20 0 GGADMN Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4[C@H](C3)OCCN4C)c2c1 ZINC001164666845 719402082 /nfs/dbraw/zinc/40/20/82/719402082.db2.gz LWJYEPDPJSCRDY-UXHICEINSA-N 0 1 378.451 3.264 20 0 GGADMN CN1CCO[C@@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@H]21 ZINC001164668040 719402085 /nfs/dbraw/zinc/40/20/85/719402085.db2.gz POSUYDLFFWALGN-FGZHOGPDSA-N 0 1 375.472 3.333 20 0 GGADMN CN1CCO[C@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@H]21 ZINC001164668042 719403070 /nfs/dbraw/zinc/40/30/70/719403070.db2.gz POSUYDLFFWALGN-YADHBBJMSA-N 0 1 375.472 3.333 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001164671923 719403227 /nfs/dbraw/zinc/40/32/27/719403227.db2.gz ZXEDDTSXNMSJRO-RBUKOAKNSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)C[C@H]21 ZINC001164670577 719436162 /nfs/dbraw/zinc/43/61/62/719436162.db2.gz ORSSCYVSZCINTR-MOPGFXCFSA-N 0 1 380.879 3.469 20 0 GGADMN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000301680219 719462206 /nfs/dbraw/zinc/46/22/06/719462206.db2.gz UUUMBAUOPMBIQB-IAGOWNOFSA-N 0 1 396.516 3.024 20 0 GGADMN COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000153154844 719463155 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CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C(=O)NC(C)(C)C)cn1)[C@@H]2C ZINC001164859335 720962721 /nfs/dbraw/zinc/96/27/21/720962721.db2.gz MUGCOASJHOSQMR-MRXNPFEDSA-N 0 1 398.555 3.228 20 0 GGADMN COc1ccc2nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)ncc2c1 ZINC001164860085 720967922 /nfs/dbraw/zinc/96/79/22/720967922.db2.gz PQKKRBNDZIJLFF-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN COc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc2ccccc21 ZINC001164864200 720972685 /nfs/dbraw/zinc/97/26/85/720972685.db2.gz ZJNRSTJNDUBSHS-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc(Cl)cnc31)[C@@H]2C ZINC001164860387 720973037 /nfs/dbraw/zinc/97/30/37/720973037.db2.gz NUNFRLNLWDRAFG-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN COc1cc2c(cc1F)ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164860690 720979070 /nfs/dbraw/zinc/97/90/70/720979070.db2.gz PJSAKBTXEPBDEF-CQSZACIVSA-N 0 1 398.486 3.395 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cncc(Cl)n1)[C@@H]2C ZINC001164860580 720988584 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O=C([O-])[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1 ZINC000902862174 939291890 /nfs/dbraw/zinc/29/18/90/939291890.db2.gz GNPUWLPRVPZHJG-PMACEKPBSA-N 0 1 396.462 3.370 20 0 GGADMN COCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000908621831 939302342 /nfs/dbraw/zinc/30/23/42/939302342.db2.gz VYSMKMJGRUOVFY-QFIPXVFZSA-N 0 1 397.475 3.074 20 0 GGADMN CCOc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000908619869 939302515 /nfs/dbraw/zinc/30/25/15/939302515.db2.gz OXFGNXKLNMKULL-QFIPXVFZSA-N 0 1 397.475 3.326 20 0 GGADMN CCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000908619456 939302529 /nfs/dbraw/zinc/30/25/29/939302529.db2.gz KOBSDLAUVAMDEW-QFIPXVFZSA-N 0 1 381.476 3.490 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000908746617 939308830 /nfs/dbraw/zinc/30/88/30/939308830.db2.gz XVTVLYOZOPGLRR-UKRRQHHQSA-N 0 1 399.369 3.026 20 0 GGADMN 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Cc1cc([C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C(=O)[O-])ccc1F ZINC000908760572 939315645 /nfs/dbraw/zinc/31/56/45/939315645.db2.gz MYRWHMMPAVHVBP-LJQANCHMSA-N 0 1 387.455 3.081 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000908783570 939321305 /nfs/dbraw/zinc/32/13/05/939321305.db2.gz VACFWIOYUFCCBL-JOCHJYFZSA-N 0 1 383.492 3.326 20 0 GGADMN COc1ccc([C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C(=O)[O-])cc1 ZINC000908783167 939321326 /nfs/dbraw/zinc/32/13/26/939321326.db2.gz LNYYOZAHSXNYLQ-HXUWFJFHSA-N 0 1 399.491 3.161 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000908783350 939321610 /nfs/dbraw/zinc/32/16/10/939321610.db2.gz PZIKDTPGODMKHF-IBGZPJMESA-N 0 1 387.455 3.291 20 0 GGADMN CC(C)(CNC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000908806819 939323832 /nfs/dbraw/zinc/32/38/32/939323832.db2.gz KYONXTXSNHQMHX-QHCPKHFHSA-N 0 1 395.503 3.123 20 0 GGADMN CC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000908810860 939324660 /nfs/dbraw/zinc/32/46/60/939324660.db2.gz ISBGRJKEDWAOPK-SJLPKXTDSA-N 0 1 387.505 3.010 20 0 GGADMN CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000908810859 939324744 /nfs/dbraw/zinc/32/47/44/939324744.db2.gz ISBGRJKEDWAOPK-FUHWJXTLSA-N 0 1 387.505 3.010 20 0 GGADMN CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000908810861 939324896 /nfs/dbraw/zinc/32/48/96/939324896.db2.gz ISBGRJKEDWAOPK-WMZOPIPTSA-N 0 1 387.505 3.010 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])c1C ZINC000908816359 939326356 /nfs/dbraw/zinc/32/63/56/939326356.db2.gz IWXGOOLLPQGPHI-LJQANCHMSA-N 0 1 375.513 3.383 20 0 GGADMN CC[C@@](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908816313 939326412 /nfs/dbraw/zinc/32/64/12/939326412.db2.gz IBICFHZIHAFHBF-LIRRHRJNSA-N 0 1 381.904 3.061 20 0 GGADMN C[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000908814712 939326877 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/nfs/dbraw/zinc/85/99/61/939859961.db2.gz JEZJRSQVUBDDNZ-UXHICEINSA-N 0 1 381.476 3.003 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000663271829 939860197 /nfs/dbraw/zinc/86/01/97/939860197.db2.gz QUNNUXGJAIQUHF-MSOLQXFVSA-N 0 1 387.867 3.039 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)cc1OC ZINC000323055047 970961882 /nfs/dbraw/zinc/96/18/82/970961882.db2.gz IVXSMVVHCHHJQU-UHFFFAOYSA-N 0 1 380.238 3.454 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000323470123 971008001 /nfs/dbraw/zinc/00/80/01/971008001.db2.gz LJCJANDMFYYCLC-LLVKDONJSA-N 0 1 384.274 3.014 20 0 GGADMN O=C([O-])CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCCC1 ZINC001601926437 971088582 /nfs/dbraw/zinc/08/85/82/971088582.db2.gz QHSQZKBIPFICJQ-QGZVFWFLSA-N 0 1 394.462 3.438 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820684479 945526075 /nfs/dbraw/zinc/52/60/75/945526075.db2.gz QEUISUMDLSGPGD-HUUCEWRRSA-N 0 1 392.463 3.470 20 0 GGADMN O=C([O-])c1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c(F)c1 ZINC001602381458 971192215 /nfs/dbraw/zinc/19/22/15/971192215.db2.gz YWQUGHDYNMXEKD-UHFFFAOYSA-N 0 1 376.294 3.295 20 0 GGADMN Cc1ccccc1[C@H]1CN(Cc2cn3ccccc3c2-c2nn[nH]n2)[C@H](C)CO1 ZINC000822350305 946059221 /nfs/dbraw/zinc/05/92/21/946059221.db2.gz BXLVCCBDPMVTSO-OXQOHEQNSA-N 0 1 388.475 3.390 20 0 GGADMN Cc1sc(NC(=O)CN(C)C[C@@H](C)c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822557071 946122792 /nfs/dbraw/zinc/12/27/92/946122792.db2.gz GKLPXOVWKUQTNV-GFCCVEGCSA-N 0 1 384.509 3.219 20 0 GGADMN Fc1ccccc1[C@H]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000822792388 946172814 /nfs/dbraw/zinc/17/28/14/946172814.db2.gz VBKWFRVLYAZLON-HNNXBMFYSA-N 0 1 391.410 3.045 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C(=O)[O-])c3)CC[C@@H]21 ZINC000325600090 971229789 /nfs/dbraw/zinc/22/97/89/971229789.db2.gz DBRKXSDEQYEFHK-ABAIWWIYSA-N 0 1 396.285 3.095 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)c3ncc(-c4nn[nH]n4)cc3Cl)cc2[nH]1 ZINC000824142035 946602508 /nfs/dbraw/zinc/60/25/08/946602508.db2.gz RIDGBCAIGMZHNW-UHFFFAOYSA-N 0 1 396.842 3.341 20 0 GGADMN Brc1ccc(-c2nn[nH]n2)cc1CN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001573279590 946643377 /nfs/dbraw/zinc/64/33/77/946643377.db2.gz KCGDDADUJQKTOH-HZPDHXFCSA-N 0 1 392.301 3.163 20 0 GGADMN Brc1cccc(C2(CNc3ccncc3-c3nn[nH]n3)CCCC2)c1 ZINC001573280082 946653946 /nfs/dbraw/zinc/65/39/46/946653946.db2.gz QLZHQJRERHHFLT-UHFFFAOYSA-N 0 1 399.296 3.370 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553933 946797808 /nfs/dbraw/zinc/79/78/08/946797808.db2.gz KRWRJTLDGIQAMC-OLZOCXBDSA-N 0 1 384.871 3.048 20 0 GGADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000326370765 971287432 /nfs/dbraw/zinc/28/74/32/971287432.db2.gz JLZMPJFLTUQQIW-HFAKWTLXSA-N 0 1 392.253 3.184 20 0 GGADMN C[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625017 946871463 /nfs/dbraw/zinc/87/14/63/946871463.db2.gz DLWFVTBXVQKSKE-LLVKDONJSA-N 0 1 378.358 3.054 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1C[C@@H](C)CC(C)(C)C1 ZINC000824974772 947014446 /nfs/dbraw/zinc/01/44/46/947014446.db2.gz FRNORSSIYAXJFE-NWDGAFQWSA-N 0 1 388.541 3.112 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000326640370 971311937 /nfs/dbraw/zinc/31/19/37/971311937.db2.gz UCCCXCUWBDFKFT-GFCCVEGCSA-N 0 1 398.301 3.308 20 0 GGADMN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000326640371 971312009 /nfs/dbraw/zinc/31/20/09/971312009.db2.gz UCCCXCUWBDFKFT-LBPRGKRZSA-N 0 1 398.301 3.308 20 0 GGADMN CCN(CCC(F)(F)F)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825419661 947186466 /nfs/dbraw/zinc/18/64/66/947186466.db2.gz QQLVZEXJZKKNQX-UHFFFAOYSA-N 0 1 379.390 3.042 20 0 GGADMN CC(=CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)c1cccc(Cl)c1 ZINC001573361601 947691484 /nfs/dbraw/zinc/69/14/84/947691484.db2.gz BYSFAEMZBXDSMJ-YFHOEESVSA-N 0 1 379.811 3.438 20 0 GGADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)C(C)(C)C ZINC001573637805 947823905 /nfs/dbraw/zinc/82/39/05/947823905.db2.gz REIZZXGALQLUOF-IRXDYDNUSA-N 0 1 398.555 3.219 20 0 GGADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)C(C)(C)C ZINC001573637806 947824599 /nfs/dbraw/zinc/82/45/99/947824599.db2.gz REIZZXGALQLUOF-SJORKVTESA-N 0 1 398.555 3.219 20 0 GGADMN Fc1cc(-c2nn[nH]n2)ccc1CN1CCC2(CC1)OCCc1ccsc12 ZINC000826371345 948154220 /nfs/dbraw/zinc/15/42/20/948154220.db2.gz CIUUAKHHRDJTGA-UHFFFAOYSA-N 0 1 385.468 3.131 20 0 GGADMN CC[C@](COC)([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000328452040 971475685 /nfs/dbraw/zinc/47/56/85/971475685.db2.gz PTINUMKFRZRXBS-CQSZACIVSA-N 0 1 383.659 3.055 20 0 GGADMN CC[C@@](COC)([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000328452039 971476133 /nfs/dbraw/zinc/47/61/33/971476133.db2.gz PTINUMKFRZRXBS-AWEZNQCLSA-N 0 1 383.659 3.055 20 0 GGADMN c1ccc(-c2nn[nH]n2)c(CSCCNCc2nc3c(s2)CCCC3)c1 ZINC000826519942 948449414 /nfs/dbraw/zinc/44/94/14/948449414.db2.gz VEIYWNBKIBGULJ-UHFFFAOYSA-N 0 1 386.550 3.225 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCC[C@@H](C(=O)[O-])C3)o1)CC2 ZINC001602765294 971490477 /nfs/dbraw/zinc/49/04/77/971490477.db2.gz UKVMOGOVCYQVFM-QGZVFWFLSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCC[C@@H](C(=O)[O-])C3)o1)CC2 ZINC001602765294 971490483 /nfs/dbraw/zinc/49/04/83/971490483.db2.gz UKVMOGOVCYQVFM-QGZVFWFLSA-N 0 1 397.475 3.097 20 0 GGADMN CC[C@H](c1nnc(SCCCC(=O)[O-])n1-c1ccc(OC)cc1)[NH+](C)C ZINC001589586793 949057674 /nfs/dbraw/zinc/05/76/74/949057674.db2.gz WNQPRCPKEFFIEE-OAHLLOKOSA-N 0 1 378.498 3.246 20 0 GGADMN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000364239554 971540868 /nfs/dbraw/zinc/54/08/68/971540868.db2.gz USHVRTUWFMWVSL-UHFFFAOYSA-N 0 1 383.370 3.385 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602795685 971557328 /nfs/dbraw/zinc/55/73/28/971557328.db2.gz LJWRIXLALWYGLH-AYOQOUSVSA-N 0 1 389.455 3.362 20 0 GGADMN C[C@H](c1ccco1)N(C)S(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001575514598 949170777 /nfs/dbraw/zinc/17/07/77/949170777.db2.gz DFCYEWSIGJCFRX-SNVBAGLBSA-N 0 1 389.462 3.056 20 0 GGADMN CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001574099897 949187553 /nfs/dbraw/zinc/18/75/53/949187553.db2.gz PUOQNKHEVWCGNT-KXBFYZLASA-N 0 1 377.448 3.262 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(I)cc1 ZINC000115902285 949232138 /nfs/dbraw/zinc/23/21/38/949232138.db2.gz GHEIHKXNCRJTQE-INIZCTEOSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(I)cc1 ZINC000115902285 949232160 /nfs/dbraw/zinc/23/21/60/949232160.db2.gz GHEIHKXNCRJTQE-INIZCTEOSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(I)cc1 ZINC000115902289 949233039 /nfs/dbraw/zinc/23/30/39/949233039.db2.gz GHEIHKXNCRJTQE-MRXNPFEDSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(I)cc1 ZINC000115902289 949233053 /nfs/dbraw/zinc/23/30/53/949233053.db2.gz GHEIHKXNCRJTQE-MRXNPFEDSA-N 0 1 393.224 3.475 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001589605607 949256415 /nfs/dbraw/zinc/25/64/15/949256415.db2.gz SLZHQPGIYTXPOB-BLLLJJGKSA-N 0 1 382.423 3.409 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001589605609 949257404 /nfs/dbraw/zinc/25/74/04/949257404.db2.gz SLZHQPGIYTXPOB-MLGOLLRUSA-N 0 1 382.423 3.409 20 0 GGADMN O=C([O-])c1ccc(C[NH2+]Cc2cccc(F)c2I)cc1 ZINC001595231040 949349028 /nfs/dbraw/zinc/34/90/28/949349028.db2.gz VRGWASLZFNNRMW-UHFFFAOYSA-N 0 1 385.176 3.418 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 ZINC000183934679 949494809 /nfs/dbraw/zinc/49/48/09/949494809.db2.gz BGJSSCDPMANDDO-OAHLLOKOSA-N 0 1 390.430 3.421 20 0 GGADMN C[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001602805072 971584685 /nfs/dbraw/zinc/58/46/85/971584685.db2.gz NGUIZIHJGMNPNL-ZWNOBZJWSA-N 0 1 380.794 3.102 20 0 GGADMN C[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001602805072 971584695 /nfs/dbraw/zinc/58/46/95/971584695.db2.gz NGUIZIHJGMNPNL-ZWNOBZJWSA-N 0 1 380.794 3.102 20 0 GGADMN O=C([O-])c1ccccc1OCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001595257828 949638085 /nfs/dbraw/zinc/63/80/85/949638085.db2.gz ROHFSMOQKNUJTC-QHCPKHFHSA-N 0 1 380.488 3.362 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589639506 949663605 /nfs/dbraw/zinc/66/36/05/949663605.db2.gz ZWJXROAPBKOTDJ-KSZLIROESA-N 0 1 385.464 3.281 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589650780 949780915 /nfs/dbraw/zinc/78/09/15/949780915.db2.gz XJKVUKTXQBKWJX-HSALFYBXSA-N 0 1 387.524 3.151 20 0 GGADMN CCC[N@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001589667707 949911649 /nfs/dbraw/zinc/91/16/49/949911649.db2.gz NPTWVUCSUAWBHN-OAHLLOKOSA-N 0 1 387.505 3.498 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001589667707 949911674 /nfs/dbraw/zinc/91/16/74/949911674.db2.gz NPTWVUCSUAWBHN-OAHLLOKOSA-N 0 1 387.505 3.498 20 0 GGADMN C[C@H]1CCCN(CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CC1 ZINC001576179963 949934876 /nfs/dbraw/zinc/93/48/76/949934876.db2.gz MURJKOOIOMXOHS-ZDUSSCGKSA-N 0 1 388.541 3.258 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC001602819733 971620600 /nfs/dbraw/zinc/62/06/00/971620600.db2.gz GPKBMOLWOVYHOV-GFCCVEGCSA-N 0 1 380.510 3.479 20 0 GGADMN CCCOc1ccc(C[N@H+](Cc2ccccc2)[C@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC001589680280 950042895 /nfs/dbraw/zinc/04/28/95/950042895.db2.gz YAAFJAOPWKPRNS-NRFANRHFSA-N 0 1 396.487 3.163 20 0 GGADMN CCCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC001589680280 950042912 /nfs/dbraw/zinc/04/29/12/950042912.db2.gz YAAFJAOPWKPRNS-NRFANRHFSA-N 0 1 396.487 3.163 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(I)c(Cl)c1)C1CC1 ZINC001602821868 971630314 /nfs/dbraw/zinc/63/03/14/971630314.db2.gz RUHYKVUSMIBFKU-MRVPVSSYSA-N 0 1 379.625 3.382 20 0 GGADMN CC(C)(C)C[C@@H]1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C1(C)C ZINC001573843455 950176803 /nfs/dbraw/zinc/17/68/03/950176803.db2.gz YRAXJDUTKJZFOD-NSHDSACASA-N 0 1 383.543 3.154 20 0 GGADMN CCN(C(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1nc2ccccc2s1 ZINC001589699858 950222473 /nfs/dbraw/zinc/22/24/73/950222473.db2.gz PYCURSQLNQHREF-CQSZACIVSA-N 0 1 375.494 3.369 20 0 GGADMN CCN(C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)[C@H](C)C(=O)[O-] ZINC001589704567 950266307 /nfs/dbraw/zinc/26/63/07/950266307.db2.gz BSKVQFDDAUODSI-LLVKDONJSA-N 0 1 376.482 3.217 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)NCCCC(=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000263136516 950286524 /nfs/dbraw/zinc/28/65/24/950286524.db2.gz YZTPSYGSNBCPHE-IBGZPJMESA-N 0 1 391.512 3.452 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000263145872 950293296 /nfs/dbraw/zinc/29/32/96/950293296.db2.gz FADOMPVELQHHPB-FUHIMQAGSA-N 0 1 387.524 3.313 20 0 GGADMN CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000263323141 950368254 /nfs/dbraw/zinc/36/82/54/950368254.db2.gz JNVIJZRKOSJRRV-WOJBJXKFSA-N 0 1 389.540 3.335 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)s2)c1 ZINC000263326331 950371070 /nfs/dbraw/zinc/37/10/70/950371070.db2.gz KPXJLBFSEZPJAQ-GOEBONIOSA-N 0 1 387.505 3.023 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)s2)c1 ZINC000263326331 950371089 /nfs/dbraw/zinc/37/10/89/950371089.db2.gz KPXJLBFSEZPJAQ-GOEBONIOSA-N 0 1 387.505 3.023 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000263352629 950394040 /nfs/dbraw/zinc/39/40/40/950394040.db2.gz QFFZEHYBDVOYJF-LJQANCHMSA-N 0 1 389.540 3.479 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000263365103 950404780 /nfs/dbraw/zinc/40/47/80/950404780.db2.gz SXCMMXZEMMQMIZ-AEFFLSMTSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263367652 950408374 /nfs/dbraw/zinc/40/83/74/950408374.db2.gz UIEYRSQXISAHNH-IDHHARJASA-N 0 1 398.425 3.010 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263380754 950424050 /nfs/dbraw/zinc/42/40/50/950424050.db2.gz XGRWTVFQAOZYPX-MISYRCLQSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263386160 950427732 /nfs/dbraw/zinc/42/77/32/950427732.db2.gz YBGOMCHDQCBOFN-RBSFLKMASA-N 0 1 379.526 3.240 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000263404683 950443660 /nfs/dbraw/zinc/44/36/60/950443660.db2.gz SWCWSJBOXCUBOD-HSZRJFAPSA-N 0 1 393.487 3.192 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263436583 950462572 /nfs/dbraw/zinc/46/25/72/950462572.db2.gz UUMPAKKIOKZDCP-CQSZACIVSA-N 0 1 398.246 3.015 20 0 GGADMN Cc1ccc(-c2noc(CN3CC[NH+](Cc4cccc(C(=O)[O-])c4)CC3)n2)cc1 ZINC000263436906 950462649 /nfs/dbraw/zinc/46/26/49/950462649.db2.gz CQUUQJHZDQFOTD-UHFFFAOYSA-N 0 1 392.459 3.061 20 0 GGADMN C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000263467629 950477198 /nfs/dbraw/zinc/47/71/98/950477198.db2.gz KJXYQNBQSKVDIO-KRWDZBQOSA-N 0 1 381.476 3.191 20 0 GGADMN CC(C)(C)O[C@@H](C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)c1ccccc1 ZINC001573863907 950487703 /nfs/dbraw/zinc/48/77/03/950487703.db2.gz RMYCGTQIRNNYDO-MRXNPFEDSA-N 0 1 391.435 3.238 20 0 GGADMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263487768 950488885 /nfs/dbraw/zinc/48/88/85/950488885.db2.gz PZOWVJXVGCLKMY-GOSISDBHSA-N 0 1 399.443 3.065 20 0 GGADMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263487768 950488891 /nfs/dbraw/zinc/48/88/91/950488891.db2.gz PZOWVJXVGCLKMY-GOSISDBHSA-N 0 1 399.443 3.065 20 0 GGADMN CC(C)(C)O[C@H](C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)c1ccccc1 ZINC001573863906 950489132 /nfs/dbraw/zinc/48/91/32/950489132.db2.gz RMYCGTQIRNNYDO-INIZCTEOSA-N 0 1 391.435 3.238 20 0 GGADMN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263487770 950489262 /nfs/dbraw/zinc/48/92/62/950489262.db2.gz PZOWVJXVGCLKMY-SFHVURJKSA-N 0 1 399.443 3.065 20 0 GGADMN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263487770 950489269 /nfs/dbraw/zinc/48/92/69/950489269.db2.gz PZOWVJXVGCLKMY-SFHVURJKSA-N 0 1 399.443 3.065 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2Br)[C@H](C)C1 ZINC001589742160 950618408 /nfs/dbraw/zinc/61/84/08/950618408.db2.gz JBOSQCYMULQOJA-ABAIWWIYSA-N 0 1 398.301 3.341 20 0 GGADMN CC(C)N1CCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[nH]n1)[C@H](C)[C@H](C)CC2 ZINC001576215874 950713657 /nfs/dbraw/zinc/71/36/57/950713657.db2.gz GQEFEVNBVBQNDD-UPJWGTAASA-N 0 1 388.541 3.425 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000312605310 950764403 /nfs/dbraw/zinc/76/44/03/950764403.db2.gz YVBZNKIPLXJCTP-RBUKOAKNSA-N 0 1 375.513 3.039 20 0 GGADMN C[C@@H]1CCc2c(C(=O)Nc3nc4cc(-c5nn[nH]n5)ccc4[nH]3)csc2C1 ZINC001576220286 950831458 /nfs/dbraw/zinc/83/14/58/950831458.db2.gz WZCLXAKJCAPIDF-SECBINFHSA-N 0 1 379.449 3.182 20 0 GGADMN C[C@H]1CCc2c(C(=O)Nc3nc4cc(-c5nn[nH]n5)ccc4[nH]3)csc2C1 ZINC001576220288 950831687 /nfs/dbraw/zinc/83/16/87/950831687.db2.gz WZCLXAKJCAPIDF-VIFPVBQESA-N 0 1 379.449 3.182 20 0 GGADMN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC001590178929 950860225 /nfs/dbraw/zinc/86/02/25/950860225.db2.gz UFMPTFWSEFKQEP-QHCPKHFHSA-N 0 1 397.471 3.404 20 0 GGADMN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001590178929 950860241 /nfs/dbraw/zinc/86/02/41/950860241.db2.gz UFMPTFWSEFKQEP-QHCPKHFHSA-N 0 1 397.471 3.404 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000320533697 950992562 /nfs/dbraw/zinc/99/25/62/950992562.db2.gz JFXBDIUDSTYVQG-MRXNPFEDSA-N 0 1 387.249 3.104 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)CC(=O)[O-] ZINC000323323606 951045909 /nfs/dbraw/zinc/04/59/09/951045909.db2.gz JSYCUKIRDHMLQY-IBGZPJMESA-N 0 1 375.513 3.041 20 0 GGADMN CCC(CC)(CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)C(=O)[O-] ZINC000323336398 951046252 /nfs/dbraw/zinc/04/62/52/951046252.db2.gz OBKTWNDJPSYLQS-QGZVFWFLSA-N 0 1 375.513 3.041 20 0 GGADMN CCC(CC)(CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)C(=O)[O-] ZINC000323336397 951046337 /nfs/dbraw/zinc/04/63/37/951046337.db2.gz OBKTWNDJPSYLQS-KRWDZBQOSA-N 0 1 375.513 3.041 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC001594992947 951050791 /nfs/dbraw/zinc/05/07/91/951050791.db2.gz IAGAVMKXXZGHIL-RDJZCZTQSA-N 0 1 398.425 3.383 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001591092079 951062946 /nfs/dbraw/zinc/06/29/46/951062946.db2.gz NTVFVEABHXCQNI-STQMWFEESA-N 0 1 396.509 3.001 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001591092079 951062959 /nfs/dbraw/zinc/06/29/59/951062959.db2.gz NTVFVEABHXCQNI-STQMWFEESA-N 0 1 396.509 3.001 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001591092077 951063082 /nfs/dbraw/zinc/06/30/82/951063082.db2.gz NTVFVEABHXCQNI-OLZOCXBDSA-N 0 1 396.509 3.001 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001591092077 951063092 /nfs/dbraw/zinc/06/30/92/951063092.db2.gz NTVFVEABHXCQNI-OLZOCXBDSA-N 0 1 396.509 3.001 20 0 GGADMN C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363848784 951136203 /nfs/dbraw/zinc/13/62/03/951136203.db2.gz YYDHLBNCADPQEN-HNNXBMFYSA-N 0 1 377.448 3.301 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC(CC)(CC)C2)c(C(=O)[O-])c1C ZINC001591466716 951147202 /nfs/dbraw/zinc/14/72/02/951147202.db2.gz LBRUKZKXIHELRJ-UHFFFAOYSA-N 0 1 396.509 3.382 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC(CC)(CC)C2)c(C(=O)[O-])c1C ZINC001591466716 951147211 /nfs/dbraw/zinc/14/72/11/951147211.db2.gz LBRUKZKXIHELRJ-UHFFFAOYSA-N 0 1 396.509 3.382 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(C(=O)[O-])c1C ZINC001591466762 951148445 /nfs/dbraw/zinc/14/84/45/951148445.db2.gz MYIFPRVAUOWJRL-CHWSQXEVSA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)c(C(=O)[O-])c1C ZINC001591466762 951148453 /nfs/dbraw/zinc/14/84/53/951148453.db2.gz MYIFPRVAUOWJRL-CHWSQXEVSA-N 0 1 394.493 3.134 20 0 GGADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]2C2CCC2)c(C(=O)[O-])c1C ZINC001591467067 951151832 /nfs/dbraw/zinc/15/18/32/951151832.db2.gz UQUWLBRCXALZEN-ZDUSSCGKSA-N 0 1 394.493 3.134 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000379635353 951171322 /nfs/dbraw/zinc/17/13/22/951171322.db2.gz PDMFZTRBRFPSLT-BHIYHBOVSA-N 0 1 375.513 3.086 20 0 GGADMN CCOCN(C(=O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C)c1c(C)cccc1CC ZINC001591977388 951251373 /nfs/dbraw/zinc/25/13/73/951251373.db2.gz PNFJOXFPYOJRBF-FUHWJXTLSA-N 0 1 376.497 3.070 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC001595012923 951271858 /nfs/dbraw/zinc/27/18/58/951271858.db2.gz WOWPNLKWWADAQI-INIZCTEOSA-N 0 1 388.489 3.068 20 0 GGADMN CC(C)C[C@@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C(=O)[O-] ZINC000386807581 951304066 /nfs/dbraw/zinc/30/40/66/951304066.db2.gz CYJAYFGDEVUZFQ-SFHVURJKSA-N 0 1 375.513 3.087 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001595018733 951305760 /nfs/dbraw/zinc/30/57/60/951305760.db2.gz BYTYEDOQURGVPI-LBPRGKRZSA-N 0 1 379.507 3.387 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC001595018733 951305772 /nfs/dbraw/zinc/30/57/72/951305772.db2.gz BYTYEDOQURGVPI-LBPRGKRZSA-N 0 1 379.507 3.387 20 0 GGADMN CCOc1ccc(C[N@H+]2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)o1 ZINC001592447105 951332559 /nfs/dbraw/zinc/33/25/59/951332559.db2.gz DMRDIGOTANSAQG-OAHLLOKOSA-N 0 1 396.484 3.212 20 0 GGADMN CCOc1ccc(Cl)cc1C[N@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001592663467 951347725 /nfs/dbraw/zinc/34/77/25/951347725.db2.gz XVBWTVJKBAAWOY-UKRRQHHQSA-N 0 1 377.872 3.163 20 0 GGADMN CC(C)(CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(=O)[O-] ZINC000390553103 951382140 /nfs/dbraw/zinc/38/21/40/951382140.db2.gz QLRDZSDFURKUMS-QGZVFWFLSA-N 0 1 375.513 3.087 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(=O)[O-] ZINC000396364559 951475627 /nfs/dbraw/zinc/47/56/27/951475627.db2.gz NYPMNKCIPDPINQ-HKUYNNGSSA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(=O)[O-] ZINC000396364559 951475629 /nfs/dbraw/zinc/47/56/29/951475629.db2.gz NYPMNKCIPDPINQ-HKUYNNGSSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001595065374 951541114 /nfs/dbraw/zinc/54/11/14/951541114.db2.gz KCYPNYZQJWQDIK-UHFFFAOYSA-N 0 1 381.476 3.444 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000397958989 951576712 /nfs/dbraw/zinc/57/67/12/951576712.db2.gz OEBVUCWUYVNMER-RBUKOAKNSA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000397958990 951576963 /nfs/dbraw/zinc/57/69/63/951576963.db2.gz OEBVUCWUYVNMER-RTBURBONSA-N 0 1 375.513 3.039 20 0 GGADMN O=C([O-])CN1CC[C@@H]([NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001595071822 951601011 /nfs/dbraw/zinc/60/10/11/951601011.db2.gz KJJZYVCLFIUPKK-MRXNPFEDSA-N 0 1 383.275 3.158 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001602883222 971771753 /nfs/dbraw/zinc/77/17/53/971771753.db2.gz XVYZQDMJRONZCG-INIZCTEOSA-N 0 1 391.512 3.357 20 0 GGADMN C[C@H](C[NH2+]Cc1csc(-c2nnn[n-]2)c1)Oc1ccccc1Br ZINC001575116250 951968065 /nfs/dbraw/zinc/96/80/65/951968065.db2.gz BLJTXKXDZWKBKZ-SNVBAGLBSA-N 0 1 394.298 3.248 20 0 GGADMN C[C@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)Oc1ccccc1Br ZINC001575116250 951968069 /nfs/dbraw/zinc/96/80/69/951968069.db2.gz BLJTXKXDZWKBKZ-SNVBAGLBSA-N 0 1 394.298 3.248 20 0 GGADMN C[C@@H](C[NH2+]Cc1csc(-c2nnn[n-]2)c1)Oc1ccccc1Br ZINC001575116237 951968136 /nfs/dbraw/zinc/96/81/36/951968136.db2.gz BLJTXKXDZWKBKZ-JTQLQIEISA-N 0 1 394.298 3.248 20 0 GGADMN C[C@@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)Oc1ccccc1Br ZINC001575116237 951968142 /nfs/dbraw/zinc/96/81/42/951968142.db2.gz BLJTXKXDZWKBKZ-JTQLQIEISA-N 0 1 394.298 3.248 20 0 GGADMN O=C([O-])[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001595162543 952200478 /nfs/dbraw/zinc/20/04/78/952200478.db2.gz FAELOHRSWUQIPP-NHCUHLMSSA-N 0 1 398.478 3.350 20 0 GGADMN O=C([O-])[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001595164837 952206368 /nfs/dbraw/zinc/20/63/68/952206368.db2.gz GAUZLYQQLWKKBJ-UXHICEINSA-N 0 1 384.451 3.103 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Br)c3ccccc3c1)C2 ZINC001595192631 952292445 /nfs/dbraw/zinc/29/24/45/952292445.db2.gz UUBHAMYCQRFUKD-KSSFIOAISA-N 0 1 376.250 3.135 20 0 GGADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(Br)cc1C(F)(F)F)C2 ZINC001595192803 952294573 /nfs/dbraw/zinc/29/45/73/952294573.db2.gz ZYOAOIXFFYMEJJ-HZMBPMFUSA-N 0 1 394.187 3.001 20 0 GGADMN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001575189930 952460170 /nfs/dbraw/zinc/46/01/70/952460170.db2.gz RKMRRTXFHXAGJS-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001575189930 952460175 /nfs/dbraw/zinc/46/01/75/952460175.db2.gz RKMRRTXFHXAGJS-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN C[C@H](Cc1ccccc1Br)[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001575189950 952460761 /nfs/dbraw/zinc/46/07/61/952460761.db2.gz RKMRRTXFHXAGJS-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN C[C@H](Cc1ccccc1Br)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001575189950 952460765 /nfs/dbraw/zinc/46/07/65/952460765.db2.gz RKMRRTXFHXAGJS-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cn1 ZINC001602911612 971860122 /nfs/dbraw/zinc/86/01/22/971860122.db2.gz VDMQSFZHMZPDQM-DLBZAZTESA-N 0 1 398.463 3.124 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405269641 953386776 /nfs/dbraw/zinc/38/67/76/953386776.db2.gz UGZRHXOSOATLHH-CYBMUJFWSA-N 0 1 379.625 3.241 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000414635880 953406088 /nfs/dbraw/zinc/40/60/88/953406088.db2.gz IODUNIXAHHANMF-INIZCTEOSA-N 0 1 386.414 3.398 20 0 GGADMN CC[C@@H](NC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)C(=O)[O-] ZINC001593603841 953417890 /nfs/dbraw/zinc/41/78/90/953417890.db2.gz GAGYGZPFSKUVIS-RBUKOAKNSA-N 0 1 391.512 3.451 20 0 GGADMN O=C([O-])c1ccnc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001594750574 953424466 /nfs/dbraw/zinc/42/44/66/953424466.db2.gz FRLLHGWHLSSLJO-GOSISDBHSA-N 0 1 394.475 3.204 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000424258319 953439169 /nfs/dbraw/zinc/43/91/69/953439169.db2.gz LPOHASTZVOEICX-QGZVFWFLSA-N 0 1 396.491 3.408 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424262065 953442032 /nfs/dbraw/zinc/44/20/32/953442032.db2.gz PYQNPIZXWBOYFK-FUHWJXTLSA-N 0 1 376.497 3.372 20 0 GGADMN C[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H]1C(=O)[O-] ZINC000424270178 953447439 /nfs/dbraw/zinc/44/74/39/953447439.db2.gz QFKRTEBZZYRJLY-FZKQIMNGSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[C@H]1C(=O)[O-] ZINC000424270178 953447446 /nfs/dbraw/zinc/44/74/46/953447446.db2.gz QFKRTEBZZYRJLY-FZKQIMNGSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424392556 953458520 /nfs/dbraw/zinc/45/85/20/953458520.db2.gz JZIZHSJEDFNSHH-INIZCTEOSA-N 0 1 375.513 3.361 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424397504 953461599 /nfs/dbraw/zinc/46/15/99/953461599.db2.gz KLJQIMMMXRNVJK-UHFFFAOYSA-N 0 1 375.513 3.041 20 0 GGADMN CC(C)(CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(=O)[O-] ZINC000424402859 953467120 /nfs/dbraw/zinc/46/71/20/953467120.db2.gz IBLAZJOLEKYYQZ-JOCHJYFZSA-N 0 1 387.524 3.185 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C(=O)[O-] ZINC000424426358 953482874 /nfs/dbraw/zinc/48/28/74/953482874.db2.gz SNZFXXRWMWEZDK-FQEVSTJZSA-N 0 1 389.540 3.083 20 0 GGADMN CC[C@@H]1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424429812 953483696 /nfs/dbraw/zinc/48/36/96/953483696.db2.gz KWXAMEWNVIAQAI-GOSISDBHSA-N 0 1 375.513 3.183 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000424443462 953487111 /nfs/dbraw/zinc/48/71/11/953487111.db2.gz AZQXMIBJGXXLJI-SJLPKXTDSA-N 0 1 375.513 3.087 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280260 953495366 /nfs/dbraw/zinc/49/53/66/953495366.db2.gz YEPGTRVVOZWBHT-OLZOCXBDSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001589280260 953495377 /nfs/dbraw/zinc/49/53/77/953495377.db2.gz YEPGTRVVOZWBHT-OLZOCXBDSA-N 0 1 398.488 3.273 20 0 GGADMN C[N@@H+](CCCC(=O)[O-])CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000430650415 953501291 /nfs/dbraw/zinc/50/12/91/953501291.db2.gz CSHMVYKFIOIFQS-LJQANCHMSA-N 0 1 393.487 3.213 20 0 GGADMN Cc1nc(NC(=O)C[N@@H+](C)CCCC(=O)[O-])sc1Cc1ccc(C)cc1 ZINC000455643278 953513685 /nfs/dbraw/zinc/51/36/85/953513685.db2.gz MOSKENUYQVNTHI-UHFFFAOYSA-N 0 1 375.494 3.086 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000517145006 953544262 /nfs/dbraw/zinc/54/42/62/953544262.db2.gz SBJQQYJCWBANPP-VQIMIIECSA-N 0 1 378.472 3.493 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769348 953548377 /nfs/dbraw/zinc/54/83/77/953548377.db2.gz OQQQRKGQGMDAOA-JTDSTZFVSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769348 953548386 /nfs/dbraw/zinc/54/83/86/953548386.db2.gz OQQQRKGQGMDAOA-JTDSTZFVSA-N 0 1 394.471 3.287 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2)C1 ZINC000520367573 953551428 /nfs/dbraw/zinc/55/14/28/953551428.db2.gz UDQUZIWORGISGD-PXNSSMCTSA-N 0 1 387.524 3.315 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2)C1 ZINC000520367574 953551694 /nfs/dbraw/zinc/55/16/94/953551694.db2.gz UDQUZIWORGISGD-XLIONFOSSA-N 0 1 387.524 3.315 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000521580209 953554388 /nfs/dbraw/zinc/55/43/88/953554388.db2.gz PTBUSTQUEGXGMT-ZWKOTPCHSA-N 0 1 387.524 3.457 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H](CC(=O)[O-])C3)ccc2c1 ZINC000532881973 953568678 /nfs/dbraw/zinc/56/86/78/953568678.db2.gz RYRCBWHYSDTCLR-IRXDYDNUSA-N 0 1 398.503 3.382 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)NCCCCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589288118 953581259 /nfs/dbraw/zinc/58/12/59/953581259.db2.gz AWJLAGDGRMXALM-MJGOQNOKSA-N 0 1 375.513 3.326 20 0 GGADMN O=C([O-])c1ccccc1OCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000562915469 953592828 /nfs/dbraw/zinc/59/28/28/953592828.db2.gz OCTZIAZPHBGMHI-UHFFFAOYSA-N 0 1 378.831 3.378 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)C1 ZINC000563280640 953598565 /nfs/dbraw/zinc/59/85/65/953598565.db2.gz ZBJPMVYCLPQHPM-JOCHJYFZSA-N 0 1 384.476 3.201 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000566221506 953622643 /nfs/dbraw/zinc/62/26/43/953622643.db2.gz SFZVUNXFFRRXTM-NVXWUHKLSA-N 0 1 398.507 3.151 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000566368955 953626301 /nfs/dbraw/zinc/62/63/01/953626301.db2.gz WNAQRWONDRXNGO-QAPCUYQASA-N 0 1 379.378 3.293 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000568510898 953644129 /nfs/dbraw/zinc/64/41/29/953644129.db2.gz HJGUDAONOSDKRK-DLBZAZTESA-N 0 1 392.377 3.444 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000569336624 953648312 /nfs/dbraw/zinc/64/83/12/953648312.db2.gz FWBNUZULMARTSM-OXQOHEQNSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000569336624 953648319 /nfs/dbraw/zinc/64/83/19/953648319.db2.gz FWBNUZULMARTSM-OXQOHEQNSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971027 953651719 /nfs/dbraw/zinc/65/17/19/953651719.db2.gz BSSXARQKIZDEOQ-DZGCQCFKSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000570212983 953654199 /nfs/dbraw/zinc/65/41/99/953654199.db2.gz WWOGIZZZSUNURQ-FGTMMUONSA-N 0 1 388.508 3.013 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000570212983 953654206 /nfs/dbraw/zinc/65/42/06/953654206.db2.gz WWOGIZZZSUNURQ-FGTMMUONSA-N 0 1 388.508 3.013 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000570212986 953654276 /nfs/dbraw/zinc/65/42/76/953654276.db2.gz WWOGIZZZSUNURQ-KZNAEPCWSA-N 0 1 388.508 3.013 20 0 GGADMN C[C@H](C(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000573852627 953675367 /nfs/dbraw/zinc/67/53/67/953675367.db2.gz GGGKSTYBXBLCPK-ZDUSSCGKSA-N 0 1 392.908 3.433 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000574810536 953680913 /nfs/dbraw/zinc/68/09/13/953680913.db2.gz JUDLSKCQXTYYGR-IPMKNSEASA-N 0 1 384.863 3.246 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000575751563 953684603 /nfs/dbraw/zinc/68/46/03/953684603.db2.gz DJEOLPJNODRPPS-AWEZNQCLSA-N 0 1 396.509 3.199 20 0 GGADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000575751563 953684616 /nfs/dbraw/zinc/68/46/16/953684616.db2.gz DJEOLPJNODRPPS-AWEZNQCLSA-N 0 1 396.509 3.199 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC000577750683 953695448 /nfs/dbraw/zinc/69/54/48/953695448.db2.gz RGFRFODYWISCNV-FQELHTAISA-N 0 1 398.528 3.265 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC000577750682 953696354 /nfs/dbraw/zinc/69/63/54/953696354.db2.gz RGFRFODYWISCNV-FPDPHYFHSA-N 0 1 398.528 3.265 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589303753 953716906 /nfs/dbraw/zinc/71/69/06/953716906.db2.gz CIHWQTMAHPHOEO-PIPMEXSNSA-N 0 1 392.499 3.346 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589303754 953717849 /nfs/dbraw/zinc/71/78/49/953717849.db2.gz CIHWQTMAHPHOEO-ZNLUXHQJSA-N 0 1 392.499 3.346 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000581827125 953721680 /nfs/dbraw/zinc/72/16/80/953721680.db2.gz DFJUGXMEIMGAQO-FQEVSTJZSA-N 0 1 380.488 3.277 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304124 953722649 /nfs/dbraw/zinc/72/26/49/953722649.db2.gz FKPMULJTXYBILW-OLZOCXBDSA-N 0 1 398.488 3.415 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001589304124 953722657 /nfs/dbraw/zinc/72/26/57/953722657.db2.gz FKPMULJTXYBILW-OLZOCXBDSA-N 0 1 398.488 3.415 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000582306350 953723784 /nfs/dbraw/zinc/72/37/84/953723784.db2.gz MLBSXFSQDCKDNC-PGRDOPGGSA-N 0 1 393.443 3.249 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cs1 ZINC000582605772 953725367 /nfs/dbraw/zinc/72/53/67/953725367.db2.gz SCCZBMXYDLREQJ-HUUCEWRRSA-N 0 1 387.505 3.318 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000582605771 953725421 /nfs/dbraw/zinc/72/54/21/953725421.db2.gz SCCZBMXYDLREQJ-GJZGRUSLSA-N 0 1 387.505 3.318 20 0 GGADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000583386642 953728384 /nfs/dbraw/zinc/72/83/84/953728384.db2.gz GASYHYGEYKACBQ-ZDUSSCGKSA-N 0 1 386.395 3.423 20 0 GGADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000583386642 953728393 /nfs/dbraw/zinc/72/83/93/953728393.db2.gz GASYHYGEYKACBQ-ZDUSSCGKSA-N 0 1 386.395 3.423 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000584172452 953732198 /nfs/dbraw/zinc/73/21/98/953732198.db2.gz QVKBOMZSBKECDE-CMPLNLGQSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000584172452 953732206 /nfs/dbraw/zinc/73/22/06/953732206.db2.gz QVKBOMZSBKECDE-CMPLNLGQSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000584172454 953732387 /nfs/dbraw/zinc/73/23/87/953732387.db2.gz QVKBOMZSBKECDE-PWSUYJOCSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000584172454 953732396 /nfs/dbraw/zinc/73/23/96/953732396.db2.gz QVKBOMZSBKECDE-PWSUYJOCSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001589305440 953734936 /nfs/dbraw/zinc/73/49/36/953734936.db2.gz OJQOFSYBTQMKDE-HUUCEWRRSA-N 0 1 388.464 3.242 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1F ZINC001589307995 953760351 /nfs/dbraw/zinc/76/03/51/953760351.db2.gz GVPVSNDHZFMDBT-GJZGRUSLSA-N 0 1 379.476 3.184 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1F ZINC001589307994 953760673 /nfs/dbraw/zinc/76/06/73/953760673.db2.gz GVPVSNDHZFMDBT-CABCVRRESA-N 0 1 379.476 3.184 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001589308219 953765117 /nfs/dbraw/zinc/76/51/17/953765117.db2.gz LAOIMXCAULOHPP-IRXDYDNUSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001589308217 953765437 /nfs/dbraw/zinc/76/54/37/953765437.db2.gz LAOIMXCAULOHPP-DLBZAZTESA-N 0 1 379.932 3.037 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[C@@H]1C(=O)[O-] ZINC000626754768 953808570 /nfs/dbraw/zinc/80/85/70/953808570.db2.gz NKDVCXFJYFBNAM-JXFKEZNVSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[C@@H]1C(=O)[O-] ZINC000626754768 953808590 /nfs/dbraw/zinc/80/85/90/953808590.db2.gz NKDVCXFJYFBNAM-JXFKEZNVSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[C@H]1C(=O)[O-] ZINC000626754770 953808673 /nfs/dbraw/zinc/80/86/73/953808673.db2.gz NKDVCXFJYFBNAM-OXQOHEQNSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[C@H]1C(=O)[O-] ZINC000626754770 953808687 /nfs/dbraw/zinc/80/86/87/953808687.db2.gz NKDVCXFJYFBNAM-OXQOHEQNSA-N 0 1 399.491 3.164 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000629496475 953826860 /nfs/dbraw/zinc/82/68/60/953826860.db2.gz UMHODSWQFUGHTJ-DBVUQKKJSA-N 0 1 388.508 3.182 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000629496476 953826905 /nfs/dbraw/zinc/82/69/05/953826905.db2.gz UMHODSWQFUGHTJ-UXPWSPDFSA-N 0 1 388.508 3.182 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1C(=O)[O-] ZINC000629770852 953831937 /nfs/dbraw/zinc/83/19/37/953831937.db2.gz CRJFGSONFZCRGO-CXAGYDPISA-N 0 1 381.398 3.493 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001594811596 953832020 /nfs/dbraw/zinc/83/20/20/953832020.db2.gz CIHYWDZOEWMJFI-OKZBNKHCSA-N 0 1 394.475 3.202 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000629503231 953832304 /nfs/dbraw/zinc/83/23/04/953832304.db2.gz VPUXXRHGELHZNG-MDYRTPRTSA-N 0 1 386.517 3.386 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)ccc2c1 ZINC000629503342 953833139 /nfs/dbraw/zinc/83/31/39/953833139.db2.gz WKLUDSGNLWWCFI-CKJXQJPGSA-N 0 1 398.503 3.238 20 0 GGADMN O=C([O-])c1cncc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001594816926 953871325 /nfs/dbraw/zinc/87/13/25/953871325.db2.gz RFYSQVCBLLHVLV-CTXDPNEZSA-N 0 1 394.475 3.487 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC000635020766 953872981 /nfs/dbraw/zinc/87/29/81/953872981.db2.gz RQJSKLVOKGMWJL-IBGZPJMESA-N 0 1 375.856 3.029 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000635299329 953877930 /nfs/dbraw/zinc/87/79/30/953877930.db2.gz QMHVILCFFGMCHZ-UHFFFAOYSA-N 0 1 399.470 3.492 20 0 GGADMN O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000635530573 953893821 /nfs/dbraw/zinc/89/38/21/953893821.db2.gz YEIICHKUXAPUAS-VQTJNVASSA-N 0 1 387.524 3.328 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000643865281 953913047 /nfs/dbraw/zinc/91/30/47/953913047.db2.gz MQMBSEULMIXGMN-ZWKOTPCHSA-N 0 1 390.524 3.417 20 0 GGADMN CC(C)(CCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)[O-] ZINC000644177218 953913814 /nfs/dbraw/zinc/91/38/14/953913814.db2.gz URGRIZIBKXJJKE-CEXWTWQISA-N 0 1 387.524 3.087 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000647369110 953955389 /nfs/dbraw/zinc/95/53/89/953955389.db2.gz JIGULCNCFJNSPT-LSDHHAIUSA-N 0 1 376.815 3.218 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000647369110 953955397 /nfs/dbraw/zinc/95/53/97/953955397.db2.gz JIGULCNCFJNSPT-LSDHHAIUSA-N 0 1 376.815 3.218 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)[C@H]1C(=O)[O-] ZINC001589334000 953973529 /nfs/dbraw/zinc/97/35/29/953973529.db2.gz IVKDZZZXLONFCF-VQIMIIECSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H]1C(=O)[O-] ZINC001589334386 953978159 /nfs/dbraw/zinc/97/81/59/953978159.db2.gz OHLMRTBADKMJAS-SWLSCSKDSA-N 0 1 381.473 3.120 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)[C@H]1C(=O)[O-] ZINC001589334386 953978171 /nfs/dbraw/zinc/97/81/71/953978171.db2.gz OHLMRTBADKMJAS-SWLSCSKDSA-N 0 1 381.473 3.120 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001589334961 953986113 /nfs/dbraw/zinc/98/61/13/953986113.db2.gz VQCLTNUUSJKTBM-OAHLLOKOSA-N 0 1 382.464 3.333 20 0 GGADMN O=C([O-])[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC001594833271 953998725 /nfs/dbraw/zinc/99/87/25/953998725.db2.gz XSTCGALGEARCRS-IVAOSVALSA-N 0 1 384.520 3.294 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC000652084956 954039981 /nfs/dbraw/zinc/03/99/81/954039981.db2.gz LUYYEJCUDVMSHK-KGVIQGDOSA-N 0 1 389.540 3.086 20 0 GGADMN CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCCCC1 ZINC001593692639 954051458 /nfs/dbraw/zinc/05/14/58/954051458.db2.gz APXZOQUQWWUFDR-IEBWSBKVSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@H](CCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000652091986 954052016 /nfs/dbraw/zinc/05/20/16/954052016.db2.gz AWYJXNXJKWWZLS-JPYJTQIMSA-N 0 1 397.519 3.239 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602974075 971981776 /nfs/dbraw/zinc/98/17/76/971981776.db2.gz DQIYAEUXTOQYCX-HXUWFJFHSA-N 0 1 384.476 3.036 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C)C(=O)[O-] ZINC000652099171 954065557 /nfs/dbraw/zinc/06/55/57/954065557.db2.gz PLBDKNYPKQISMO-JRBPQWBISA-N 0 1 389.540 3.426 20 0 GGADMN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000652444717 954086176 /nfs/dbraw/zinc/08/61/76/954086176.db2.gz KZRPPYWNCVUPLA-UHFFFAOYSA-N 0 1 375.387 3.022 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000652470961 954090076 /nfs/dbraw/zinc/09/00/76/954090076.db2.gz OOPJCPUJLMNYNF-GOEBONIOSA-N 0 1 395.377 3.129 20 0 GGADMN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513558 954091969 /nfs/dbraw/zinc/09/19/69/954091969.db2.gz CUSVMDCIANSZKE-XFBWCDHKSA-N 0 1 375.856 3.417 20 0 GGADMN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513557 954092527 /nfs/dbraw/zinc/09/25/27/954092527.db2.gz CUSVMDCIANSZKE-KNXALSJPSA-N 0 1 375.856 3.417 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@@H]1C(=O)[O-] ZINC001589353121 954098147 /nfs/dbraw/zinc/09/81/47/954098147.db2.gz MARUOMMEFZESEH-HOCLYGCPSA-N 0 1 388.464 3.099 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC=CCC1 ZINC000653288475 954099538 /nfs/dbraw/zinc/09/95/38/954099538.db2.gz UZPDWZVAGGPRPJ-TXTKFYIRSA-N 0 1 382.504 3.311 20 0 GGADMN CC(C)[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)N1CCC(C)CC1 ZINC001589353720 954110057 /nfs/dbraw/zinc/11/00/57/954110057.db2.gz XBYVRTMOIQELNW-QUCCMNQESA-N 0 1 391.556 3.427 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1ccc(F)cc1 ZINC001594843933 954112469 /nfs/dbraw/zinc/11/24/69/954112469.db2.gz PODISZKYNHXUFS-HNNXBMFYSA-N 0 1 378.201 3.151 20 0 GGADMN O=C([O-])[C@]1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC=CCC1 ZINC000653302999 954113197 /nfs/dbraw/zinc/11/31/97/954113197.db2.gz BUTUGXUZAGEAJH-HSZRJFAPSA-N 0 1 378.472 3.295 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC=CCC1 ZINC000653303000 954113536 /nfs/dbraw/zinc/11/35/36/954113536.db2.gz BUTUGXUZAGEAJH-QHCPKHFHSA-N 0 1 378.472 3.295 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccc(F)cc1 ZINC001594844003 954114094 /nfs/dbraw/zinc/11/40/94/954114094.db2.gz RCEQWIXRSBINII-HNNXBMFYSA-N 0 1 395.312 3.409 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC=CCC1 ZINC000653308591 954123608 /nfs/dbraw/zinc/12/36/08/954123608.db2.gz OEVHYJCVNCINPF-FQEVSTJZSA-N 0 1 376.884 3.185 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC=CCC1 ZINC000653308591 954123611 /nfs/dbraw/zinc/12/36/11/954123611.db2.gz OEVHYJCVNCINPF-FQEVSTJZSA-N 0 1 376.884 3.185 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1Br ZINC001593702188 954129933 /nfs/dbraw/zinc/12/99/33/954129933.db2.gz LYNGPZAGIQOAOB-UHFFFAOYSA-N 0 1 377.238 3.461 20 0 GGADMN CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC001593702442 954134988 /nfs/dbraw/zinc/13/49/88/954134988.db2.gz PUWRUJNXBHRWDT-LJQANCHMSA-N 0 1 385.508 3.274 20 0 GGADMN C[C@H]1CCc2c(sc3nc(CC[N@@H+](CC(=O)[O-])CC(C)(C)C)nc(N)c32)C1 ZINC001589364451 954178371 /nfs/dbraw/zinc/17/83/71/954178371.db2.gz UJFXGKIGTSDSAG-LBPRGKRZSA-N 0 1 390.553 3.374 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000655567827 954205427 /nfs/dbraw/zinc/20/54/27/954205427.db2.gz WGSDQEKEKUEJKZ-FUHWJXTLSA-N 0 1 376.497 3.026 20 0 GGADMN CC(C)[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000655567826 954206281 /nfs/dbraw/zinc/20/62/81/954206281.db2.gz WGSDQEKEKUEJKZ-AEFFLSMTSA-N 0 1 376.497 3.026 20 0 GGADMN O=C([O-])C1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC001594854013 954209715 /nfs/dbraw/zinc/20/97/15/954209715.db2.gz CLEBSPGBQJHOTR-HSALFYBXSA-N 0 1 384.520 3.438 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC=CCC1 ZINC001594855456 954226194 /nfs/dbraw/zinc/22/61/94/954226194.db2.gz FEIRVHUJSYSKGT-NVJIOZQYSA-N 0 1 382.504 3.214 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655865910 954251100 /nfs/dbraw/zinc/25/11/00/954251100.db2.gz LNKJWLOTTUDFMP-FHLIZLRMSA-N 0 1 375.513 3.073 20 0 GGADMN CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000655872157 954258595 /nfs/dbraw/zinc/25/85/95/954258595.db2.gz MJXNWGKWKNGEJE-GRDNDAEWSA-N 0 1 399.894 3.128 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879345 954264340 /nfs/dbraw/zinc/26/43/40/954264340.db2.gz PRGVFOIFQFIXRL-BSWVEEBUSA-N 0 1 387.524 3.084 20 0 GGADMN C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879347 954264491 /nfs/dbraw/zinc/26/44/91/954264491.db2.gz PRGVFOIFQFIXRL-JAQSECSASA-N 0 1 387.524 3.084 20 0 GGADMN C[C@@H](CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000655884889 954267005 /nfs/dbraw/zinc/26/70/05/954267005.db2.gz LKEQAIGITUPYSB-SFHVURJKSA-N 0 1 383.492 3.051 20 0 GGADMN CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000655892838 954274437 /nfs/dbraw/zinc/27/44/37/954274437.db2.gz GJIGTYRCLAPFEB-UHOSZYNNSA-N 0 1 375.513 3.210 20 0 GGADMN CCC[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000655895107 954277456 /nfs/dbraw/zinc/27/74/56/954277456.db2.gz QGVBMTLMTRZXLY-RTBURBONSA-N 0 1 375.513 3.039 20 0 GGADMN C[C@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001589382096 954284903 /nfs/dbraw/zinc/28/49/03/954284903.db2.gz DJDVSDJTQDOLCP-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001589382096 954284922 /nfs/dbraw/zinc/28/49/22/954284922.db2.gz DJDVSDJTQDOLCP-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655905682 954289136 /nfs/dbraw/zinc/28/91/36/954289136.db2.gz BTNWERUZUAMGQQ-RYQLBKOJSA-N 0 1 381.561 3.275 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1CC1 ZINC000659401093 954327174 /nfs/dbraw/zinc/32/71/74/954327174.db2.gz DQQFFCJXASJXPM-FQEVSTJZSA-N 0 1 387.524 3.183 20 0 GGADMN C[N@H+](CCC(=O)[O-])CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001593737036 954345296 /nfs/dbraw/zinc/34/52/96/954345296.db2.gz OUGRDRSZDYXCET-UHFFFAOYSA-N 0 1 388.276 3.462 20 0 GGADMN C[N@@H+](CCC(=O)[O-])CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001593737036 954345305 /nfs/dbraw/zinc/34/53/05/954345305.db2.gz OUGRDRSZDYXCET-UHFFFAOYSA-N 0 1 388.276 3.462 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659754868 954357608 /nfs/dbraw/zinc/35/76/08/954357608.db2.gz RUZXEXGGQLICJE-KRWDZBQOSA-N 0 1 396.487 3.454 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1F ZINC001589396005 954370786 /nfs/dbraw/zinc/37/07/86/954370786.db2.gz QLQSZSCZWUCDFO-GOEBONIOSA-N 0 1 379.476 3.042 20 0 GGADMN CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000659781561 954372146 /nfs/dbraw/zinc/37/21/46/954372146.db2.gz HPIWLKFVMPDOJC-MRXNPFEDSA-N 0 1 375.513 3.453 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC[C@H]1C(=O)[O-] ZINC001589396070 954373857 /nfs/dbraw/zinc/37/38/57/954373857.db2.gz UCPGUJVDMLMACG-CHWSQXEVSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC[C@H]1C(=O)[O-] ZINC001589396070 954373868 /nfs/dbraw/zinc/37/38/68/954373868.db2.gz UCPGUJVDMLMACG-CHWSQXEVSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC[C@@H]1C(=O)[O-] ZINC001589396073 954373892 /nfs/dbraw/zinc/37/38/92/954373892.db2.gz UCPGUJVDMLMACG-STQMWFEESA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC[C@@H]1C(=O)[O-] ZINC001589396073 954373904 /nfs/dbraw/zinc/37/39/04/954373904.db2.gz UCPGUJVDMLMACG-STQMWFEESA-N 0 1 398.488 3.273 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccn(CCc3ccccc3)n2)C[C@H]1c1ccccc1 ZINC000659797147 954377464 /nfs/dbraw/zinc/37/74/64/954377464.db2.gz QSRKGFKWNMIXQD-FCHUYYIVSA-N 0 1 375.472 3.426 20 0 GGADMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001593745920 954382733 /nfs/dbraw/zinc/38/27/33/954382733.db2.gz NRJRXRNTWDZLIN-UHFFFAOYSA-N 0 1 392.459 3.274 20 0 GGADMN O=C([O-])C1(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CCSCC1 ZINC001594877343 954387047 /nfs/dbraw/zinc/38/70/47/954387047.db2.gz GFGKWEAMAMTURN-UHFFFAOYSA-N 0 1 397.500 3.181 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000662221464 954389802 /nfs/dbraw/zinc/38/98/02/954389802.db2.gz HDZAZQYTSPUMCL-INIZCTEOSA-N 0 1 378.350 3.328 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000662221464 954389815 /nfs/dbraw/zinc/38/98/15/954389815.db2.gz HDZAZQYTSPUMCL-INIZCTEOSA-N 0 1 378.350 3.328 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221125 954390432 /nfs/dbraw/zinc/39/04/32/954390432.db2.gz CQEFWBJFPUURHH-RBBKRZOGSA-N 0 1 378.472 3.246 20 0 GGADMN Cc1ccc([C@@H](NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000662221125 954390449 /nfs/dbraw/zinc/39/04/49/954390449.db2.gz CQEFWBJFPUURHH-RBBKRZOGSA-N 0 1 378.472 3.246 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc21 ZINC000662223255 954392761 /nfs/dbraw/zinc/39/27/61/954392761.db2.gz SQSQCASFUIEJFF-MRXNPFEDSA-N 0 1 394.349 3.208 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc21 ZINC000662223255 954392773 /nfs/dbraw/zinc/39/27/73/954392773.db2.gz SQSQCASFUIEJFF-MRXNPFEDSA-N 0 1 394.349 3.208 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222804 954393463 /nfs/dbraw/zinc/39/34/63/954393463.db2.gz PNNOUUUGWGYXNW-LRDDRELGSA-N 0 1 388.851 3.360 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222804 954393476 /nfs/dbraw/zinc/39/34/76/954393476.db2.gz PNNOUUUGWGYXNW-LRDDRELGSA-N 0 1 388.851 3.360 20 0 GGADMN CCN(C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000662225207 954394967 /nfs/dbraw/zinc/39/49/67/954394967.db2.gz YOMIRONPKDHUDT-MGPUTAFESA-N 0 1 384.451 3.419 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662224045 954396636 /nfs/dbraw/zinc/39/66/36/954396636.db2.gz QWVDPNICLJFXNN-FHLIZLRMSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662224045 954396651 /nfs/dbraw/zinc/39/66/51/954396651.db2.gz QWVDPNICLJFXNN-FHLIZLRMSA-N 0 1 384.501 3.484 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(I)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001589399010 954396966 /nfs/dbraw/zinc/39/69/66/954396966.db2.gz LPXAIMRPTRKTNF-MWLCHTKSSA-N 0 1 393.652 3.487 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(I)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001589399010 954396982 /nfs/dbraw/zinc/39/69/82/954396982.db2.gz LPXAIMRPTRKTNF-MWLCHTKSSA-N 0 1 393.652 3.487 20 0 GGADMN C[N@@H+](CCCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CCCCC1 ZINC001593750447 954400339 /nfs/dbraw/zinc/40/03/39/954400339.db2.gz SXYPMFYJOKFLKP-KRWDZBQOSA-N 0 1 377.529 3.325 20 0 GGADMN Cn1ncc(C(=O)[O-])c1CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001593751854 954424113 /nfs/dbraw/zinc/42/41/13/954424113.db2.gz PMLCKJNVMOTLRH-UHFFFAOYSA-N 0 1 392.503 3.253 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)O1 ZINC001589400859 954425812 /nfs/dbraw/zinc/42/58/12/954425812.db2.gz IQNJXGAIHSSFRM-WZONZLPQSA-N 0 1 380.488 3.250 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNC(=O)C3(C(=O)[O-])CCCCCC3)CC2)oc1C ZINC000663072200 954446765 /nfs/dbraw/zinc/44/67/65/954446765.db2.gz NKEHQMHZWKUMGB-UHFFFAOYSA-N 0 1 391.512 3.045 20 0 GGADMN CN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593760513 954480962 /nfs/dbraw/zinc/48/09/62/954480962.db2.gz OANTVRWAXDGMNN-UXHICEINSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001593760513 954480969 /nfs/dbraw/zinc/48/09/69/954480969.db2.gz OANTVRWAXDGMNN-UXHICEINSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001593760513 954480977 /nfs/dbraw/zinc/48/09/77/954480977.db2.gz OANTVRWAXDGMNN-UXHICEINSA-N 0 1 397.519 3.287 20 0 GGADMN CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001593760515 954481630 /nfs/dbraw/zinc/48/16/30/954481630.db2.gz OANTVRWAXDGMNN-VQTJNVASSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001593760515 954481638 /nfs/dbraw/zinc/48/16/38/954481638.db2.gz OANTVRWAXDGMNN-VQTJNVASSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001593760515 954481649 /nfs/dbraw/zinc/48/16/49/954481649.db2.gz OANTVRWAXDGMNN-VQTJNVASSA-N 0 1 397.519 3.287 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001593760646 954485464 /nfs/dbraw/zinc/48/54/64/954485464.db2.gz ISCNIHSBAHGPFA-UHFFFAOYSA-N 0 1 382.464 3.156 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(CC(=O)[O-])CCOCC2)c1 ZINC000663106122 954493750 /nfs/dbraw/zinc/49/37/50/954493750.db2.gz OLDSBCONNFLZSR-UHFFFAOYSA-N 0 1 385.464 3.265 20 0 GGADMN O=C([O-])[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000663111175 954502734 /nfs/dbraw/zinc/50/27/34/954502734.db2.gz SLUZQIBNSZFZAJ-FQEVSTJZSA-N 0 1 378.472 3.031 20 0 GGADMN O=C([O-])[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000663113781 954506458 /nfs/dbraw/zinc/50/64/58/954506458.db2.gz YXYQEEYTSALKBT-SFHVURJKSA-N 0 1 378.900 3.265 20 0 GGADMN O=C([O-])[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000663113781 954506465 /nfs/dbraw/zinc/50/64/65/954506465.db2.gz YXYQEEYTSALKBT-SFHVURJKSA-N 0 1 378.900 3.265 20 0 GGADMN C[C@@H]1Cc2c(sc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2C(=O)[O-])[C@@H](C)O1 ZINC001589411322 954517456 /nfs/dbraw/zinc/51/74/56/954517456.db2.gz OUIBOHBYYLTKCO-GHMZBOCLSA-N 0 1 398.444 3.302 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)Cc2ccccc21 ZINC000663136662 954524635 /nfs/dbraw/zinc/52/46/35/954524635.db2.gz YQSCPOQVQZBIHN-NHCUHLMSSA-N 0 1 378.472 3.252 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666520490 954547624 /nfs/dbraw/zinc/54/76/24/954547624.db2.gz BQKKIFSPGCIALS-IRXDYDNUSA-N 0 1 387.524 3.394 20 0 GGADMN C[C@@H](CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000666516233 954548124 /nfs/dbraw/zinc/54/81/24/954548124.db2.gz DXTWMTZNEYAYSL-SJORKVTESA-N 0 1 387.524 3.394 20 0 GGADMN O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000666540237 954552435 /nfs/dbraw/zinc/55/24/35/954552435.db2.gz JPIFVIABFUUFOO-UWHLTILDSA-N 0 1 399.535 3.183 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666542564 954554490 /nfs/dbraw/zinc/55/44/90/954554490.db2.gz BENLJLYQYORUHQ-HXUWFJFHSA-N 0 1 383.492 3.341 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666546340 954555652 /nfs/dbraw/zinc/55/56/52/954555652.db2.gz GPPZKIGDZYEULE-HXUWFJFHSA-N 0 1 395.503 3.485 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1)CC1CC1 ZINC000666563495 954560673 /nfs/dbraw/zinc/56/06/73/954560673.db2.gz GSPTVKYWPXZAJX-UHFFFAOYSA-N 0 1 387.524 3.428 20 0 GGADMN CC(C)C[C@@H](NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000676217035 954584198 /nfs/dbraw/zinc/58/41/98/954584198.db2.gz JIMIMBWSOIYQBS-FUHWJXTLSA-N 0 1 376.497 3.169 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000676234072 954585416 /nfs/dbraw/zinc/58/54/16/954585416.db2.gz VLABMEYQAZBWMO-PXNSSMCTSA-N 0 1 388.508 3.326 20 0 GGADMN CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000682184737 954599948 /nfs/dbraw/zinc/59/99/48/954599948.db2.gz GMQIZGKWSCCUQM-UHFFFAOYSA-N 0 1 386.414 3.364 20 0 GGADMN C[NH+]1CCN(CCCOc2ccc(NCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001593784898 954688130 /nfs/dbraw/zinc/68/81/30/954688130.db2.gz QRCJFFMQWIWQSW-UHFFFAOYSA-N 0 1 383.492 3.013 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H](C4CCOCC4)C3)o2)C1 ZINC001594914468 954730158 /nfs/dbraw/zinc/73/01/58/954730158.db2.gz GRXLGYPHYHITAO-QZTJIDSGSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CCC[C@H](C4CCOCC4)C3)o2)C1 ZINC001594914469 954730273 /nfs/dbraw/zinc/73/02/73/954730273.db2.gz GRXLGYPHYHITAO-ROUUACIJSA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)C3)o2)C1 ZINC001594915694 954748450 /nfs/dbraw/zinc/74/84/50/954748450.db2.gz KNKGGSVQGWCXFT-JTSKRJEESA-N 0 1 384.476 3.064 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](Cn3ccnc3)c3ccccc3)o2)C1 ZINC001594915699 954749645 /nfs/dbraw/zinc/74/96/45/954749645.db2.gz KQXDAMYULXIRCD-QUCCMNQESA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)C1 ZINC001594917850 954775840 /nfs/dbraw/zinc/77/58/40/954775840.db2.gz QKBATGHETYZNEH-NQIIRXRSSA-N 0 1 398.503 3.453 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CC[C@H](Cc4nccs4)C3)o2)C1 ZINC001594918515 954781762 /nfs/dbraw/zinc/78/17/62/954781762.db2.gz UECQHNDVVGDRPK-CABCVRRESA-N 0 1 375.494 3.102 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)o2)C1 ZINC001594918546 954783737 /nfs/dbraw/zinc/78/37/37/954783737.db2.gz UQSGVPWXOPJJRO-UYAOXDASSA-N 0 1 394.475 3.308 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCC[C@](O)(c4ccccc4)C3)o2)CC1 ZINC001594939495 954869905 /nfs/dbraw/zinc/86/99/05/954869905.db2.gz WVUSXTBYWMESLT-JOCHJYFZSA-N 0 1 384.476 3.064 20 0 GGADMN CC(C)[C@H]1[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC12CCOCC2 ZINC001603002833 972049872 /nfs/dbraw/zinc/04/98/72/972049872.db2.gz NATWMONZLFOHPC-VQIMIIECSA-N 0 1 376.497 3.218 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC001594953170 954965250 /nfs/dbraw/zinc/96/52/50/954965250.db2.gz CFKLAFXUDRSHOL-CRAIPNDOSA-N 0 1 396.270 3.417 20 0 GGADMN C[C@@H](CN(C)C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001589022318 955481882 /nfs/dbraw/zinc/48/18/82/955481882.db2.gz NZBYIRBSQOIRQQ-PXNSSMCTSA-N 0 1 386.467 3.206 20 0 GGADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000836719719 955559224 /nfs/dbraw/zinc/55/92/24/955559224.db2.gz XEUTYDBYBGVWOU-ICSRJNTNSA-N 0 1 395.503 3.305 20 0 GGADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535921 955573032 /nfs/dbraw/zinc/57/30/32/955573032.db2.gz KPGWSHZAELKDLT-KGLIPLIRSA-N 0 1 382.291 3.460 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC001594535861 955573407 /nfs/dbraw/zinc/57/34/07/955573407.db2.gz KPGWSHZAELKDLT-KBPBESRZSA-N 0 1 382.291 3.460 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039597 955619589 /nfs/dbraw/zinc/61/95/89/955619589.db2.gz CIQGQJRCFNUIPC-GDBMZVCRSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039597 955619597 /nfs/dbraw/zinc/61/95/97/955619597.db2.gz CIQGQJRCFNUIPC-GDBMZVCRSA-N 0 1 390.915 3.443 20 0 GGADMN C[C@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@@H]1C(=O)[O-] ZINC000843040589 955619759 /nfs/dbraw/zinc/61/97/59/955619759.db2.gz KJIUJEUIBLMMQY-ZFWWWQNUSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@@H]1C(=O)[O-] ZINC000843040589 955619767 /nfs/dbraw/zinc/61/97/67/955619767.db2.gz KJIUJEUIBLMMQY-ZFWWWQNUSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@@H]1C(=O)[O-] ZINC000843040587 955620610 /nfs/dbraw/zinc/62/06/10/955620610.db2.gz KJIUJEUIBLMMQY-HIFRSBDPSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@@H]1C(=O)[O-] ZINC000843040587 955620618 /nfs/dbraw/zinc/62/06/18/955620618.db2.gz KJIUJEUIBLMMQY-HIFRSBDPSA-N 0 1 376.888 3.134 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039599 955620673 /nfs/dbraw/zinc/62/06/73/955620673.db2.gz CIQGQJRCFNUIPC-HOCLYGCPSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039599 955620684 /nfs/dbraw/zinc/62/06/84/955620684.db2.gz CIQGQJRCFNUIPC-HOCLYGCPSA-N 0 1 390.915 3.443 20 0 GGADMN CC(C)C[C@H]([NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001603050155 972114535 /nfs/dbraw/zinc/11/45/35/972114535.db2.gz BLXZKKAGKYQJBD-ZDUSSCGKSA-N 0 1 383.514 3.025 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H](C)[C@@H]3C(=O)[O-])cc(=O)oc2c1 ZINC000844242396 955654365 /nfs/dbraw/zinc/65/43/65/955654365.db2.gz UKVHSKWZIHELQZ-KZULUSFZSA-N 0 1 388.420 3.047 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271058 955702888 /nfs/dbraw/zinc/70/28/88/955702888.db2.gz QSYXHCCKZMISEJ-RHSMWYFYSA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)Cc2ccccc21 ZINC000846271058 955702893 /nfs/dbraw/zinc/70/28/93/955702893.db2.gz QSYXHCCKZMISEJ-RHSMWYFYSA-N 0 1 394.240 3.306 20 0 GGADMN O=C([O-])CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000846280636 955705821 /nfs/dbraw/zinc/70/58/21/955705821.db2.gz FOCDETYAUPIOBX-ZIAGYGMSSA-N 0 1 375.387 3.164 20 0 GGADMN COC(=O)c1ccc(OCC[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c(Cl)c1 ZINC001593885024 955737024 /nfs/dbraw/zinc/73/70/24/955737024.db2.gz CHSAPFAVSYBJBK-SFHVURJKSA-N 0 1 389.835 3.189 20 0 GGADMN COC(=O)c1ccc(OCC[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001593886398 955753814 /nfs/dbraw/zinc/75/38/14/955753814.db2.gz UNVAORKAPCYVLL-MRXNPFEDSA-N 0 1 389.835 3.189 20 0 GGADMN C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC001589079715 955843603 /nfs/dbraw/zinc/84/36/03/955843603.db2.gz WEMZYNATAYFKKG-LLVKDONJSA-N 0 1 378.822 3.428 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001594581066 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ZINC001589231895 956831184 /nfs/dbraw/zinc/83/11/84/956831184.db2.gz HXEVZJYLDODRMT-KRWDZBQOSA-N 0 1 382.464 3.202 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1cc(Br)c2ccccc2c1)[C@@H](C)C(=O)[O-] ZINC000903405993 956832264 /nfs/dbraw/zinc/83/22/64/956832264.db2.gz ZKOAVVXACNRRFE-LBPRGKRZSA-N 0 1 393.281 3.014 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](CCCSc1ccccc1Cl)C[C@@H]2C(=O)[O-] ZINC000903414086 956839141 /nfs/dbraw/zinc/83/91/41/956839141.db2.gz CUCGSSKYIPXHMB-SHYRYGCCSA-N 0 1 397.924 3.408 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](CCCOc1cccc3ccccc31)C[C@H]2C(=O)[O-] ZINC000903414960 956842510 /nfs/dbraw/zinc/84/25/10/956842510.db2.gz HLSSJMMSRKKORC-YZOUICBYSA-N 0 1 397.471 3.195 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(Oc3ccccc3)o1)C[C@@H]2C(=O)[O-] ZINC000903695230 956879307 /nfs/dbraw/zinc/87/93/07/956879307.db2.gz SMOKHJNGSHUCLN-CXJKMVGQSA-N 0 1 385.416 3.158 20 0 GGADMN CN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000904191749 956918408 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C[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001121816665 957210859 /nfs/dbraw/zinc/21/08/59/957210859.db2.gz CCFMMZKFPXEOMR-KQEPKPNTSA-N 0 1 385.508 3.252 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001121816438 957211138 /nfs/dbraw/zinc/21/11/38/957211138.db2.gz CCFMMZKFPXEOMR-IDENBPMYSA-N 0 1 385.508 3.252 20 0 GGADMN C[N@@H+](CCCNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)Cc1ccccc1 ZINC001121892272 957222829 /nfs/dbraw/zinc/22/28/29/957222829.db2.gz LKFUMIUALAZZOF-VQTJNVASSA-N 0 1 381.476 3.121 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001121892308 957223265 /nfs/dbraw/zinc/22/32/65/957223265.db2.gz MBKMTASDKAZDSH-IBGZPJMESA-N 0 1 375.513 3.456 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)[C@@H]1c1cccs1 ZINC001121897958 957225840 /nfs/dbraw/zinc/22/58/40/957225840.db2.gz SOSBLZYGXHASBR-GPMSIDNRSA-N 0 1 393.553 3.417 20 0 GGADMN 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Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3cccc(CCC(=O)[O-])c3)C2)cc1 ZINC001594359939 958437570 /nfs/dbraw/zinc/43/75/70/958437570.db2.gz BJXDICSAZODQIR-FQEVSTJZSA-N 0 1 381.476 3.408 20 0 GGADMN Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3cccc(CCC(=O)[O-])c3)C2)cc1 ZINC001594359940 958437706 /nfs/dbraw/zinc/43/77/06/958437706.db2.gz BJXDICSAZODQIR-HXUWFJFHSA-N 0 1 381.476 3.408 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c(OC)c1 ZINC001594111933 958516134 /nfs/dbraw/zinc/51/61/34/958516134.db2.gz KJEPWAAGLGLKCP-CABCVRRESA-N 0 1 388.464 3.449 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC001594369648 958537465 /nfs/dbraw/zinc/53/74/65/958537465.db2.gz IODUPEUQFVZCRK-HUUCEWRRSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(OC(F)F)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001594374834 958578806 /nfs/dbraw/zinc/57/88/06/958578806.db2.gz RYSHJVRVTRANFC-DZGCQCFKSA-N 0 1 379.407 3.020 20 0 GGADMN COc1cccc(-c2csc(C[N@@H+](CCC(=O)[O-])C3CCOCC3)n2)c1 ZINC001594120195 958595766 /nfs/dbraw/zinc/59/57/66/958595766.db2.gz ZTHFWSIQLQMHBI-UHFFFAOYSA-N 0 1 376.478 3.274 20 0 GGADMN Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594382583 958647944 /nfs/dbraw/zinc/64/79/44/958647944.db2.gz FTHXEWLBBADUDN-DLBZAZTESA-N 0 1 394.393 3.244 20 0 GGADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594382583 958647951 /nfs/dbraw/zinc/64/79/51/958647951.db2.gz FTHXEWLBBADUDN-DLBZAZTESA-N 0 1 394.393 3.244 20 0 GGADMN C[C@@H](C(=O)[O-])N(C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC001573375427 958652407 /nfs/dbraw/zinc/65/24/07/958652407.db2.gz QFJAKFPRRYGZTE-UWJYYQICSA-N 0 1 398.478 3.491 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)cc3C(=O)[O-])CC[C@H]21 ZINC000391761360 972367717 /nfs/dbraw/zinc/36/77/17/972367717.db2.gz IAACOJSNNORVPW-XHDPSFHLSA-N 0 1 396.285 3.095 20 0 GGADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)cc3C(=O)[O-])CC[C@@H]21 ZINC000391761355 972367767 /nfs/dbraw/zinc/36/77/67/972367767.db2.gz IAACOJSNNORVPW-NHYWBVRUSA-N 0 1 396.285 3.095 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC001603234986 972368670 /nfs/dbraw/zinc/36/86/70/972368670.db2.gz ZVIUIGNNIOGUPL-HOTGVXAUSA-N 0 1 392.496 3.389 20 0 GGADMN O=C([O-])C1(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CCC1 ZINC001605732116 972369422 /nfs/dbraw/zinc/36/94/22/972369422.db2.gz WEPVYRKUZJESPX-HUUCEWRRSA-N 0 1 390.446 3.287 20 0 GGADMN COc1ccccc1-n1nccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594139162 958724659 /nfs/dbraw/zinc/72/46/59/958724659.db2.gz HYHYULLYJNGHKQ-RBUKOAKNSA-N 0 1 377.444 3.181 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001573413012 958749835 /nfs/dbraw/zinc/74/98/35/958749835.db2.gz DBPUBQJUFZBZMS-ZJPYXAASSA-N 0 1 380.529 3.456 20 0 GGADMN CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC001588515045 958791946 /nfs/dbraw/zinc/79/19/46/958791946.db2.gz AGWIZZHPCAUEBZ-UHFFFAOYSA-N 0 1 383.286 3.484 20 0 GGADMN CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(N3CCC[C@@H](C(=O)[O-])C3)o1)C2 ZINC001588523457 958849735 /nfs/dbraw/zinc/84/97/35/958849735.db2.gz QGJRYGQDXOGUGX-QGZVFWFLSA-N 0 1 397.475 3.097 20 0 GGADMN CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(N3CCC[C@@H](C(=O)[O-])C3)o1)C2 ZINC001588523457 958849753 /nfs/dbraw/zinc/84/97/53/958849753.db2.gz QGJRYGQDXOGUGX-QGZVFWFLSA-N 0 1 397.475 3.097 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCC[C@@H](CC(=O)[O-])C3)sc2C1 ZINC001573450139 958870133 /nfs/dbraw/zinc/87/01/33/958870133.db2.gz CSTIVNCJRZQBHV-ZDUSSCGKSA-N 0 1 395.525 3.123 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)sc2C1 ZINC001573450139 958870138 /nfs/dbraw/zinc/87/01/38/958870138.db2.gz CSTIVNCJRZQBHV-ZDUSSCGKSA-N 0 1 395.525 3.123 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001588530953 958893184 /nfs/dbraw/zinc/89/31/84/958893184.db2.gz LMONVEKYEUKFJX-VOBQZIQPSA-N 0 1 380.444 3.016 20 0 GGADMN CC(C)C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509495 959082831 /nfs/dbraw/zinc/08/28/31/959082831.db2.gz JDHUIKIHWKPFJO-SJORKVTESA-N 0 1 382.451 3.007 20 0 GGADMN CC(C)C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509492 959083798 /nfs/dbraw/zinc/08/37/98/959083798.db2.gz JDHUIKIHWKPFJO-IAGOWNOFSA-N 0 1 382.451 3.007 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+](C)CCCC(=O)[O-] ZINC001588560300 959092737 /nfs/dbraw/zinc/09/27/37/959092737.db2.gz IPTWVOZQEABSKH-HNNXBMFYSA-N 0 1 387.505 3.498 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001588561224 959099486 /nfs/dbraw/zinc/09/94/86/959099486.db2.gz SHMTWYSLNUMDOJ-OLZOCXBDSA-N 0 1 391.468 3.463 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001588561224 959099488 /nfs/dbraw/zinc/09/94/88/959099488.db2.gz SHMTWYSLNUMDOJ-OLZOCXBDSA-N 0 1 391.468 3.463 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC001588561223 959100163 /nfs/dbraw/zinc/10/01/63/959100163.db2.gz SHMTWYSLNUMDOJ-CHWSQXEVSA-N 0 1 391.468 3.463 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC001588561223 959100176 /nfs/dbraw/zinc/10/01/76/959100176.db2.gz SHMTWYSLNUMDOJ-CHWSQXEVSA-N 0 1 391.468 3.463 20 0 GGADMN CC(C)C[C@@H]([NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001573531077 959161228 /nfs/dbraw/zinc/16/12/28/959161228.db2.gz BLXZKKAGKYQJBD-CYBMUJFWSA-N 0 1 383.514 3.025 20 0 GGADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001573547422 959216969 /nfs/dbraw/zinc/21/69/69/959216969.db2.gz OPDPVJHUWBREGW-XJKSGUPXSA-N 0 1 395.297 3.227 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001594216446 959335200 /nfs/dbraw/zinc/33/52/00/959335200.db2.gz WNFKEWLRDLXJOO-CVEARBPZSA-N 0 1 392.496 3.389 20 0 GGADMN O=C([O-])C1(CNC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001605757599 972421720 /nfs/dbraw/zinc/42/17/20/972421720.db2.gz LFRHSRZGEYRBHJ-FQEVSTJZSA-N 0 1 398.478 3.398 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC001588596114 959369005 /nfs/dbraw/zinc/36/90/05/959369005.db2.gz BGPGVANUVBDTFV-SSDOTTSWSA-N 0 1 392.091 3.231 20 0 GGADMN Cc1nc(C[N@H+]2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)sc1C ZINC001594452645 959392875 /nfs/dbraw/zinc/39/28/75/959392875.db2.gz XQKNOJWSQZGBTQ-OAHLLOKOSA-N 0 1 397.541 3.294 20 0 GGADMN C[N@H+](CCOc1ccccc1C(=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000183922810 959453693 /nfs/dbraw/zinc/45/36/93/959453693.db2.gz RJPRDSAWAQJKEY-KRWDZBQOSA-N 0 1 388.851 3.154 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000183922810 959453705 /nfs/dbraw/zinc/45/37/05/959453705.db2.gz RJPRDSAWAQJKEY-KRWDZBQOSA-N 0 1 388.851 3.154 20 0 GGADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)CC[N@H+]1C ZINC001594246868 959582965 /nfs/dbraw/zinc/58/29/65/959582965.db2.gz ZMKNFQSAMAMWHM-OBJOEFQTSA-N 0 1 395.297 3.084 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001594477618 959612958 /nfs/dbraw/zinc/61/29/58/959612958.db2.gz LFNDNCWOGNRBFM-SWLSCSKDSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC001594477639 959614800 /nfs/dbraw/zinc/61/48/00/959614800.db2.gz LUXPVPZKTZTGGA-LBPRGKRZSA-N 0 1 378.270 3.381 20 0 GGADMN CC1(C)CCC[N@H+]1CCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001573666994 959695960 /nfs/dbraw/zinc/69/59/60/959695960.db2.gz AAAVYHQXQSBVAO-UHFFFAOYSA-N 0 1 384.274 3.143 20 0 GGADMN Cc1c(O)ccc2c(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc(=O)oc12 ZINC001594268522 959772786 /nfs/dbraw/zinc/77/27/86/959772786.db2.gz CAVOMZGHDPCFPJ-ZWKOTPCHSA-N 0 1 379.412 3.107 20 0 GGADMN O=C([O-])c1ccc(Br)c(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001605768941 972460673 /nfs/dbraw/zinc/46/06/73/972460673.db2.gz MXHHTVPNHXFORX-ZDUSSCGKSA-N 0 1 396.285 3.286 20 0 GGADMN O=C([O-])c1ccc(Br)c(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001605768940 972460739 /nfs/dbraw/zinc/46/07/39/972460739.db2.gz MXHHTVPNHXFORX-CYBMUJFWSA-N 0 1 396.285 3.286 20 0 GGADMN O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1Cl ZINC001605769117 972462460 /nfs/dbraw/zinc/46/24/60/972462460.db2.gz RAVZHNUUPDMEEM-LBPRGKRZSA-N 0 1 383.851 3.421 20 0 GGADMN COc1cccc(-c2nnc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)o2)c1 ZINC001574227059 960403994 /nfs/dbraw/zinc/40/39/94/960403994.db2.gz LXNUDJHVCKTDET-ZWKOTPCHSA-N 0 1 379.416 3.045 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(F)c1I ZINC001588655927 960413303 /nfs/dbraw/zinc/41/33/03/960413303.db2.gz WAVJUMKYTCKNEQ-UHFFFAOYSA-N 0 1 379.213 3.363 20 0 GGADMN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001574232166 960413922 /nfs/dbraw/zinc/41/39/22/960413922.db2.gz DENWTOZRIXIYPW-PBHICJAKSA-N 0 1 386.448 3.203 20 0 GGADMN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001574232170 960414142 /nfs/dbraw/zinc/41/41/42/960414142.db2.gz DENWTOZRIXIYPW-YOEHRIQHSA-N 0 1 386.448 3.203 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccnc3C(=O)[O-])cc2)C1 ZINC001573726832 960414861 /nfs/dbraw/zinc/41/48/61/960414861.db2.gz OKILFLSIHRZLSM-OAHLLOKOSA-N 0 1 382.464 3.333 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001123277163 960432970 /nfs/dbraw/zinc/43/29/70/960432970.db2.gz FBRHTJUCJWAEFT-TZIWHRDSSA-N 0 1 382.504 3.320 20 0 GGADMN Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001123298011 960454391 /nfs/dbraw/zinc/45/43/91/960454391.db2.gz QFDCSNQHSWCBSF-APWZRJJASA-N 0 1 387.524 3.432 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588666557 960454857 /nfs/dbraw/zinc/45/48/57/960454857.db2.gz DWBLMUUMZVCLAD-HZPDHXFCSA-N 0 1 392.496 3.134 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@]3(C)C(=O)[O-])o2)C1 ZINC001588668101 960476684 /nfs/dbraw/zinc/47/66/84/960476684.db2.gz WVLRDGJQLOIXFY-VFNWGFHPSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588669524 960500810 /nfs/dbraw/zinc/50/08/10/960500810.db2.gz LLEBASWRVLSKOQ-YCRPNKLZSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588669524 960500828 /nfs/dbraw/zinc/50/08/28/960500828.db2.gz LLEBASWRVLSKOQ-YCRPNKLZSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588670307 960507075 /nfs/dbraw/zinc/50/70/75/960507075.db2.gz RUWDJSYMLHVRID-OAQYLSRUSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588670307 960507081 /nfs/dbraw/zinc/50/70/81/960507081.db2.gz RUWDJSYMLHVRID-OAQYLSRUSA-N 0 1 392.496 3.277 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573748181 960516939 /nfs/dbraw/zinc/51/69/39/960516939.db2.gz JORXSTJBKOFGCO-XUJVJEKNSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573748181 960516944 /nfs/dbraw/zinc/51/69/44/960516944.db2.gz JORXSTJBKOFGCO-XUJVJEKNSA-N 0 1 391.468 3.319 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@H](CC(=O)[O-])C2)[C@H](O)c2ccccc21 ZINC001588675744 960541820 /nfs/dbraw/zinc/54/18/20/960541820.db2.gz AGNQVXOQKYQAFI-DKSSEZFCSA-N 0 1 390.480 3.030 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC[C@H](CC(=O)[O-])C2)[C@@H](O)c2ccccc21 ZINC001588675747 960541910 /nfs/dbraw/zinc/54/19/10/960541910.db2.gz AGNQVXOQKYQAFI-LJHODMEESA-N 0 1 390.480 3.030 20 0 GGADMN O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001187578765 960546905 /nfs/dbraw/zinc/54/69/05/960546905.db2.gz AOYUBDWRRRQPGR-UHFFFAOYSA-N 0 1 394.880 3.435 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001588678338 960582914 /nfs/dbraw/zinc/58/29/14/960582914.db2.gz BSJXYUMJDZOXSF-YTQUADARSA-N 0 1 388.508 3.434 20 0 GGADMN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C2 ZINC001231457135 960605755 /nfs/dbraw/zinc/60/57/55/960605755.db2.gz NSGXHLUZFUFGDT-FOIQADDNSA-N 0 1 378.444 3.403 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC001231456519 960606295 /nfs/dbraw/zinc/60/62/95/960606295.db2.gz BRALOOFTIKQPFM-HXUWFJFHSA-N 0 1 378.444 3.357 20 0 GGADMN C[C@@H](c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001603286106 972522920 /nfs/dbraw/zinc/52/29/20/972522920.db2.gz ALUMBHJHAANFSB-KXBFYZLASA-N 0 1 383.448 3.027 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001574315042 960778690 /nfs/dbraw/zinc/77/86/90/960778690.db2.gz HNFWINJJYDKSKD-UHFFFAOYSA-N 0 1 378.472 3.356 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001262158847 960795604 /nfs/dbraw/zinc/79/56/04/960795604.db2.gz ZRFXGNPLHVWZBC-AWEZNQCLSA-N 0 1 385.411 3.283 20 0 GGADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000236955353 960811146 /nfs/dbraw/zinc/81/11/46/960811146.db2.gz QEHKGDVTMMHTFF-ZDUSSCGKSA-N 0 1 387.505 3.193 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000236955353 960811166 /nfs/dbraw/zinc/81/11/66/960811166.db2.gz QEHKGDVTMMHTFF-ZDUSSCGKSA-N 0 1 387.505 3.193 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)C1CCCCCC1 ZINC001262195190 960840815 /nfs/dbraw/zinc/84/08/15/960840815.db2.gz SBHDWWAHGUHSJL-PMACEKPBSA-N 0 1 387.524 3.224 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)C1CCCCCC1 ZINC001262195190 960840829 /nfs/dbraw/zinc/84/08/29/960840829.db2.gz SBHDWWAHGUHSJL-PMACEKPBSA-N 0 1 387.524 3.224 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)CC[C@H]1C(F)(F)F ZINC001588707389 960867997 /nfs/dbraw/zinc/86/79/97/960867997.db2.gz CYALAWREDGTONB-OLZOCXBDSA-N 0 1 394.434 3.409 20 0 GGADMN C/C(=C\C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001263629940 960876116 /nfs/dbraw/zinc/87/61/16/960876116.db2.gz VCSXSSRFPLKEAY-WMJZSHNHSA-N 0 1 384.501 3.387 20 0 GGADMN C/C(=C/C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001263629941 960876995 /nfs/dbraw/zinc/87/69/95/960876995.db2.gz VCSXSSRFPLKEAY-XHVGKJTDSA-N 0 1 384.501 3.387 20 0 GGADMN O=C([O-])[C@]1(NC(=O)Cc2ccc(Cl)s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263630058 960879653 /nfs/dbraw/zinc/87/96/53/960879653.db2.gz YYLKAHZXAOVMSN-IBGZPJMESA-N 0 1 392.908 3.180 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001263633172 960893325 /nfs/dbraw/zinc/89/33/25/960893325.db2.gz JJEZSJQPLHLOAF-IZZBFERCSA-N 0 1 396.462 3.021 20 0 GGADMN 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CC[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001573831254 961020275 /nfs/dbraw/zinc/02/02/75/961020275.db2.gz ZBFBCHYEDOGRNT-NVXWUHKLSA-N 0 1 392.496 3.389 20 0 GGADMN CC[C@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001573831253 961021024 /nfs/dbraw/zinc/02/10/24/961021024.db2.gz ZBFBCHYEDOGRNT-DOTOQJQBSA-N 0 1 392.496 3.389 20 0 GGADMN CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cn1 ZINC001588734788 961129952 /nfs/dbraw/zinc/12/99/52/961129952.db2.gz ZSEJFZPHXLNAFS-INIZCTEOSA-N 0 1 387.480 3.443 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001573849594 961130559 /nfs/dbraw/zinc/13/05/59/961130559.db2.gz VYZZDUNVENYYPP-KRWDZBQOSA-N 0 1 375.856 3.246 20 0 GGADMN CCC[N@H+](CC(=O)[O-])[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC001573853769 961132523 /nfs/dbraw/zinc/13/25/23/961132523.db2.gz CLQJJYIESIGAAI-OAHLLOKOSA-N 0 1 397.313 3.358 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O 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NPTUMHQRDVMXME-FQEVSTJZSA-N 0 1 384.476 3.036 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC001333138383 961657716 /nfs/dbraw/zinc/65/77/16/961657716.db2.gz UGUHGPGFSJPOKG-MNOVXSKESA-N 0 1 383.313 3.382 20 0 GGADMN COc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC001333138383 961657729 /nfs/dbraw/zinc/65/77/29/961657729.db2.gz UGUHGPGFSJPOKG-MNOVXSKESA-N 0 1 383.313 3.382 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C(=O)[O-] ZINC001588826963 961675577 /nfs/dbraw/zinc/67/55/77/961675577.db2.gz FPBVTMRVXQIVNS-CQSZACIVSA-N 0 1 390.509 3.369 20 0 GGADMN C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001333371106 961708671 /nfs/dbraw/zinc/70/86/71/961708671.db2.gz XTNWEIUALGYQRF-BDJLRTHQSA-N 0 1 380.803 3.193 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001333371106 961708675 /nfs/dbraw/zinc/70/86/75/961708675.db2.gz XTNWEIUALGYQRF-BDJLRTHQSA-N 0 1 380.803 3.193 20 0 GGADMN CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573997238 961848155 /nfs/dbraw/zinc/84/81/55/961848155.db2.gz OQVGEZHCYBSHHH-OAHLLOKOSA-N 0 1 379.382 3.350 20 0 GGADMN CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980450 961866322 /nfs/dbraw/zinc/86/63/22/961866322.db2.gz UIJGULCNZNQSFM-CTNGQTDRSA-N 0 1 382.504 3.464 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001334980453 961866415 /nfs/dbraw/zinc/86/64/15/961866415.db2.gz UIJGULCNZNQSFM-TZIWHRDSSA-N 0 1 382.504 3.464 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(Br)cc1C(=O)[O-] ZINC001335274669 961908915 /nfs/dbraw/zinc/90/89/15/961908915.db2.gz QCOKVZVJZDRWTE-XHDPSFHLSA-N 0 1 384.270 3.157 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC001335383309 961918420 /nfs/dbraw/zinc/91/84/20/961918420.db2.gz SXDBOKHAMBHLDC-SUMWQHHRSA-N 0 1 399.516 3.050 20 0 GGADMN C[N@@H+](CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC001574012950 961922326 /nfs/dbraw/zinc/92/23/26/961922326.db2.gz DYLRMJPGTMEURP-LEWJYISDSA-N 0 1 395.503 3.018 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)[C@@H]([C@H]2CCCO2)C1 ZINC001336105209 961948834 /nfs/dbraw/zinc/94/88/34/961948834.db2.gz WBQAZLFWLVCJOF-DJIMGWMZSA-N 0 1 387.398 3.472 20 0 GGADMN Cn1cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c(-c2ccc(F)cc2)n1 ZINC001339152470 962013715 /nfs/dbraw/zinc/01/37/15/962013715.db2.gz SBLYKVMTGLFZNS-OCCSQVGLSA-N 0 1 385.361 3.311 20 0 GGADMN Cn1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)c(C(F)F)n1 ZINC001339320844 962024107 /nfs/dbraw/zinc/02/41/07/962024107.db2.gz ZPWCWQJLAVPVKP-ZDUSSCGKSA-N 0 1 388.212 3.378 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC001339694505 962063824 /nfs/dbraw/zinc/06/38/24/962063824.db2.gz OYOMLMBVCSKQTP-YOEHRIQHSA-N 0 1 381.904 3.229 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccc(F)cc1 ZINC001588871120 962081540 /nfs/dbraw/zinc/08/15/40/962081540.db2.gz WRMFGBJGAVZGOG-SJORKVTESA-N 0 1 375.375 3.230 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccc(F)cc1 ZINC001588871120 962081554 /nfs/dbraw/zinc/08/15/54/962081554.db2.gz WRMFGBJGAVZGOG-SJORKVTESA-N 0 1 375.375 3.230 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588874273 962103227 /nfs/dbraw/zinc/10/32/27/962103227.db2.gz PGJKPIWIOYXNRJ-CYBMUJFWSA-N 0 1 398.301 3.341 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)Cc2ccccc21 ZINC001574580573 962104247 /nfs/dbraw/zinc/10/42/47/962104247.db2.gz SPNQRPQLJHXWAU-OAQYLSRUSA-N 0 1 390.439 3.394 20 0 GGADMN CC(C)(CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC001341353033 962132648 /nfs/dbraw/zinc/13/26/48/962132648.db2.gz JIBCHLAKKLNPGP-KRWDZBQOSA-N 0 1 387.524 3.110 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001343036098 962152935 /nfs/dbraw/zinc/15/29/35/962152935.db2.gz CHMZEZNABMKFOL-YZGWKJHDSA-N 0 1 387.524 3.326 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001343036096 962154151 /nfs/dbraw/zinc/15/41/51/962154151.db2.gz CHMZEZNABMKFOL-MISYRCLQSA-N 0 1 387.524 3.326 20 0 GGADMN CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)C1 ZINC001344446578 962172438 /nfs/dbraw/zinc/17/24/38/962172438.db2.gz FQKJRBJILPYVMM-ZBFHGGJFSA-N 0 1 397.313 3.203 20 0 GGADMN Cc1ccc2[nH]c(C(=O)N[C@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC001344473280 962177528 /nfs/dbraw/zinc/17/75/28/962177528.db2.gz NLQODGDMEVRIGV-HSZRJFAPSA-N 0 1 391.471 3.326 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001574608841 962195077 /nfs/dbraw/zinc/19/50/77/962195077.db2.gz VKQCHXUBLADIGJ-NSISKUIASA-N 0 1 394.475 3.202 20 0 GGADMN Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c2c1CCC2 ZINC001345094856 962222501 /nfs/dbraw/zinc/22/25/01/962222501.db2.gz AFBRCBDNUQUETM-XMMPIXPASA-N 0 1 392.499 3.333 20 0 GGADMN O=C([O-])c1cc(C2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)no1 ZINC001345132957 962237687 /nfs/dbraw/zinc/23/76/87/962237687.db2.gz HZNBFZGOBCBASZ-IBGZPJMESA-N 0 1 397.475 3.134 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263121854 962274748 /nfs/dbraw/zinc/27/47/48/962274748.db2.gz MDNBFUGBSXQRSO-WMZOPIPTSA-N 0 1 376.497 3.229 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC=CCC1 ZINC001574626150 962278044 /nfs/dbraw/zinc/27/80/44/962278044.db2.gz IGOZJZDNRDNCNZ-DZCCDHAISA-N 0 1 382.504 3.214 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC=CCC1 ZINC001574626152 962278733 /nfs/dbraw/zinc/27/87/33/962278733.db2.gz IGOZJZDNRDNCNZ-VLVHOKLOSA-N 0 1 382.504 3.214 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC=CCC1 ZINC001574626153 962278948 /nfs/dbraw/zinc/27/89/48/962278948.db2.gz IGOZJZDNRDNCNZ-XFGYDDDFSA-N 0 1 382.504 3.214 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263145243 962299926 /nfs/dbraw/zinc/29/99/26/962299926.db2.gz ORVWZSRZNNTPRD-UONOGXRCSA-N 0 1 384.879 3.403 20 0 GGADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263145245 962300247 /nfs/dbraw/zinc/30/02/47/962300247.db2.gz ORVWZSRZNNTPRD-ZIAGYGMSSA-N 0 1 384.879 3.403 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)c2csc3c2CCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001346258759 962334157 /nfs/dbraw/zinc/33/41/57/962334157.db2.gz GXAJKZCXHIXLPB-JOCHJYFZSA-N 0 1 398.528 3.476 20 0 GGADMN CC(C)[N@H+](CC(=O)[O-])Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001588918212 962351740 /nfs/dbraw/zinc/35/17/40/962351740.db2.gz RNILGSNYDLDLQB-UHFFFAOYSA-N 0 1 380.485 3.133 20 0 GGADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001588918212 962351761 /nfs/dbraw/zinc/35/17/61/962351761.db2.gz RNILGSNYDLDLQB-UHFFFAOYSA-N 0 1 380.485 3.133 20 0 GGADMN CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC001347533663 962388812 /nfs/dbraw/zinc/38/88/12/962388812.db2.gz BRTKIGIGYXJVQN-VQTJNVASSA-N 0 1 382.504 3.321 20 0 GGADMN Cc1ccc(SCC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001347495194 962390589 /nfs/dbraw/zinc/39/05/89/962390589.db2.gz AORCMFVYNGPTCM-JOCHJYFZSA-N 0 1 398.528 3.323 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C2 ZINC001347548646 962398603 /nfs/dbraw/zinc/39/86/03/962398603.db2.gz VNQXSPSFIRRROK-HXUWFJFHSA-N 0 1 382.435 3.421 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)C2 ZINC001347548646 962398616 /nfs/dbraw/zinc/39/86/16/962398616.db2.gz VNQXSPSFIRRROK-HXUWFJFHSA-N 0 1 382.435 3.421 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H]3CCC[N@@H+]3Cc3ccccc3)o2)C1 ZINC001574651950 962443307 /nfs/dbraw/zinc/44/33/07/962443307.db2.gz OXOMISCTQJADFC-PMACEKPBSA-N 0 1 397.519 3.335 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H]3CCC[N@H+]3Cc3ccccc3)o2)C1 ZINC001574651950 962443315 /nfs/dbraw/zinc/44/33/15/962443315.db2.gz OXOMISCTQJADFC-PMACEKPBSA-N 0 1 397.519 3.335 20 0 GGADMN O=C([O-])C1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000263328095 962472415 /nfs/dbraw/zinc/47/24/15/962472415.db2.gz LDYKBJXZIXINBP-XEVCZEQESA-N 0 1 387.524 3.231 20 0 GGADMN CO[C@H](C[N@H+]1CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001574119585 962484487 /nfs/dbraw/zinc/48/44/87/962484487.db2.gz FLCMRCIBRJJWIC-SJLPKXTDSA-N 0 1 398.544 3.225 20 0 GGADMN CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001574120026 962490178 /nfs/dbraw/zinc/49/01/78/962490178.db2.gz MNHWKOQYDUREBG-SUMWQHHRSA-N 0 1 390.402 3.124 20 0 GGADMN CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001574120026 962490188 /nfs/dbraw/zinc/49/01/88/962490188.db2.gz MNHWKOQYDUREBG-SUMWQHHRSA-N 0 1 390.402 3.124 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001349931063 962493271 /nfs/dbraw/zinc/49/32/71/962493271.db2.gz DFLRPPZOJWVUKO-QFBILLFUSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001349931063 962493285 /nfs/dbraw/zinc/49/32/85/962493285.db2.gz DFLRPPZOJWVUKO-QFBILLFUSA-N 0 1 376.472 3.284 20 0 GGADMN O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC001574665322 962500426 /nfs/dbraw/zinc/50/04/26/962500426.db2.gz DIEKAHSPTOXYSK-BWNPIFKMSA-N 0 1 394.471 3.408 20 0 GGADMN O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC001574665325 962500887 /nfs/dbraw/zinc/50/08/87/962500887.db2.gz DIEKAHSPTOXYSK-WXGOWKPGSA-N 0 1 394.471 3.408 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)cc1)C(C)C ZINC001349953859 962504397 /nfs/dbraw/zinc/50/43/97/962504397.db2.gz IISRIROYGODTEF-UHFFFAOYSA-N 0 1 381.476 3.209 20 0 GGADMN O=C([O-])CC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCC1 ZINC001349966108 962512619 /nfs/dbraw/zinc/51/26/19/962512619.db2.gz UUFGMLFHQAHUCY-GOSISDBHSA-N 0 1 376.472 3.332 20 0 GGADMN O=C([O-])CC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCC1 ZINC001349966108 962512631 /nfs/dbraw/zinc/51/26/31/962512631.db2.gz UUFGMLFHQAHUCY-GOSISDBHSA-N 0 1 376.472 3.332 20 0 GGADMN Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001349996365 962530607 /nfs/dbraw/zinc/53/06/07/962530607.db2.gz LDLLPDJGEZWHPD-GOSISDBHSA-N 0 1 375.513 3.432 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000263378176 962535025 /nfs/dbraw/zinc/53/50/25/962535025.db2.gz BBANJZIQIHBCKY-OAHLLOKOSA-N 0 1 388.489 3.118 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000263424853 962597947 /nfs/dbraw/zinc/59/79/47/962597947.db2.gz LYSGVHRJWUVYLJ-PMACEKPBSA-N 0 1 380.444 3.101 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC000263424867 962599001 /nfs/dbraw/zinc/59/90/01/962599001.db2.gz LYSGVHRJWUVYLJ-VQTJNVASSA-N 0 1 380.444 3.101 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263436582 962613485 /nfs/dbraw/zinc/61/34/85/962613485.db2.gz UUMPAKKIOKZDCP-AWEZNQCLSA-N 0 1 398.246 3.015 20 0 GGADMN CN(C(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000263442805 962623191 /nfs/dbraw/zinc/62/31/91/962623191.db2.gz WZVNNNCEFUBMAX-HXUWFJFHSA-N 0 1 381.476 3.163 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000263450536 962636225 /nfs/dbraw/zinc/63/62/25/962636225.db2.gz ZJKIKASBFDOTMU-HJOIGYKYSA-N 0 1 377.504 3.262 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000263450538 962636802 /nfs/dbraw/zinc/63/68/02/962636802.db2.gz ZJKIKASBFDOTMU-KLHKWILBSA-N 0 1 377.504 3.262 20 0 GGADMN CC(C)[C@H]1C[N@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001588963692 962640222 /nfs/dbraw/zinc/64/02/22/962640222.db2.gz VAIIDBYSWBJPIB-QGZVFWFLSA-N 0 1 392.496 3.341 20 0 GGADMN CC(C)[C@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001588963692 962640229 /nfs/dbraw/zinc/64/02/29/962640229.db2.gz VAIIDBYSWBJPIB-QGZVFWFLSA-N 0 1 392.496 3.341 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC001574692390 962649957 /nfs/dbraw/zinc/64/99/57/962649957.db2.gz YLVBRRCUYUXOON-OAHLLOKOSA-N 0 1 387.505 3.401 20 0 GGADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C1 ZINC001574692390 962649965 /nfs/dbraw/zinc/64/99/65/962649965.db2.gz YLVBRRCUYUXOON-OAHLLOKOSA-N 0 1 387.505 3.401 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001353402636 962664410 /nfs/dbraw/zinc/66/44/10/962664410.db2.gz MCTKHJLFIKYQOK-XUVXKRRUSA-N 0 1 399.535 3.039 20 0 GGADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001354041408 962696774 /nfs/dbraw/zinc/69/67/74/962696774.db2.gz MZUYTNWKNHIJGS-LJQANCHMSA-N 0 1 381.476 3.437 20 0 GGADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001354041408 962696789 /nfs/dbraw/zinc/69/67/89/962696789.db2.gz MZUYTNWKNHIJGS-LJQANCHMSA-N 0 1 381.476 3.437 20 0 GGADMN O=C([O-])C1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000263561177 962730547 /nfs/dbraw/zinc/73/05/47/962730547.db2.gz BYKXTWPVGSBTRA-UHFFFAOYSA-N 0 1 396.491 3.265 20 0 GGADMN COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263571543 962737706 /nfs/dbraw/zinc/73/77/06/962737706.db2.gz JNIQXHYZKRPJLT-KDOFPFPSSA-N 0 1 388.851 3.435 20 0 GGADMN O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607215 962743908 /nfs/dbraw/zinc/74/39/08/962743908.db2.gz DRVAYLLGOLOVBF-CTNGQTDRSA-N 0 1 393.487 3.045 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)Cc2ccccc21 ZINC001356631851 962749739 /nfs/dbraw/zinc/74/97/39/962749739.db2.gz NPHJEZCNEOVKAS-AZUAARDMSA-N 0 1 385.508 3.177 20 0 GGADMN O=C([O-])C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001357183267 962757623 /nfs/dbraw/zinc/75/76/23/962757623.db2.gz KJXMNQMWVNRFDF-IHWFROFDSA-N 0 1 385.508 3.078 20 0 GGADMN O=C([O-])COc1ccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC001574731465 962840674 /nfs/dbraw/zinc/84/06/74/962840674.db2.gz ARKQQHOOAZVVFU-IBGZPJMESA-N 0 1 394.427 3.004 20 0 GGADMN O=C(CC[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)NC(c1ccccc1)c1ccccc1 ZINC000281034617 962862600 /nfs/dbraw/zinc/86/26/00/962862600.db2.gz OWMNJTJLTSHWTM-RDPSFJRHSA-N 0 1 392.499 3.469 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)o1 ZINC001574195132 962870318 /nfs/dbraw/zinc/87/03/18/962870318.db2.gz RHQZMOXEXIYHNW-BBRMVZONSA-N 0 1 381.432 3.441 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)o1 ZINC001574195134 962870358 /nfs/dbraw/zinc/87/03/58/962870358.db2.gz RHQZMOXEXIYHNW-CZUORRHYSA-N 0 1 381.432 3.441 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)o1 ZINC001574195135 962870589 /nfs/dbraw/zinc/87/05/89/962870589.db2.gz RHQZMOXEXIYHNW-XJKSGUPXSA-N 0 1 381.432 3.441 20 0 GGADMN Cc1ccc(C[C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001526703874 962875407 /nfs/dbraw/zinc/87/54/07/962875407.db2.gz COAHZUOPDNGTDQ-NTKDMRAZSA-N 0 1 394.515 3.409 20 0 GGADMN CCc1cccc(CC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001526704175 962875501 /nfs/dbraw/zinc/87/55/01/962875501.db2.gz HGODCFACWNNMHW-HSZRJFAPSA-N 0 1 380.488 3.027 20 0 GGADMN Cc1cc(C)cc(CCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001526692130 962875956 /nfs/dbraw/zinc/87/59/56/962875956.db2.gz BGJCOOVGAHHPHO-DEOSSOPVSA-N 0 1 394.515 3.472 20 0 GGADMN COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1Cl ZINC001549035225 962927117 /nfs/dbraw/zinc/92/71/17/962927117.db2.gz CSHLGABXJOKFEK-JKSUJKDBSA-N 0 1 388.851 3.087 20 0 GGADMN Cc1ccc(N2CCC[C@H]([N@H+]3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC001549037237 962935204 /nfs/dbraw/zinc/93/52/04/962935204.db2.gz PBASAAALKWFLPN-NJYVYQBISA-N 0 1 378.472 3.291 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1c1ccc(Cl)cc1 ZINC001549225072 962961091 /nfs/dbraw/zinc/96/10/91/962961091.db2.gz LVHRIQOJOUMQHY-JZXOWHBKSA-N 0 1 381.806 3.452 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c(OC)c1 ZINC001574225931 962974227 /nfs/dbraw/zinc/97/42/27/962974227.db2.gz KJEPWAAGLGLKCP-GJZGRUSLSA-N 0 1 388.464 3.449 20 0 GGADMN Cc1sc2[nH]c(C[N@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC001553732041 963052022 /nfs/dbraw/zinc/05/20/22/963052022.db2.gz HXYFXRLTTZXJHZ-LSDHHAIUSA-N 0 1 383.473 3.314 20 0 GGADMN Cc1sc2[nH]c(C[N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC001553732041 963052036 /nfs/dbraw/zinc/05/20/36/963052036.db2.gz HXYFXRLTTZXJHZ-LSDHHAIUSA-N 0 1 383.473 3.314 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)sc2C1 ZINC001573407219 963147146 /nfs/dbraw/zinc/14/71/46/963147146.db2.gz OOAQLMNFSLDXPK-ALCCZGGFSA-N 0 1 375.450 3.243 20 0 GGADMN CCC(CC)(CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000313114281 963618787 /nfs/dbraw/zinc/61/87/87/963618787.db2.gz ZNXAPAJBYYCUIA-AEFFLSMTSA-N 0 1 375.513 3.087 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000313114294 963619137 /nfs/dbraw/zinc/61/91/37/963619137.db2.gz ZNXAPAJBYYCUIA-WMZOPIPTSA-N 0 1 375.513 3.087 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573438542 964071360 /nfs/dbraw/zinc/07/13/60/964071360.db2.gz ZZUGGHSRFYFWOP-ZBFHGGJFSA-N 0 1 396.434 3.315 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263194753 967859700 /nfs/dbraw/zinc/85/97/00/967859700.db2.gz WESXVXJCGDYHEK-QWHCGFSZSA-N 0 1 383.286 3.353 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000263225406 967863163 /nfs/dbraw/zinc/86/31/63/967863163.db2.gz ZXURUGSEUPJYTP-AEFFLSMTSA-N 0 1 376.472 3.141 20 0 GGADMN COc1ccc(-c2nc(C[N@@H+]3C[C@H](C(=O)[O-])C[C@H](C)C3)cs2)c(OC)c1 ZINC000263321687 967869981 /nfs/dbraw/zinc/86/99/81/967869981.db2.gz JRIVPBWDENJWLQ-QWHCGFSZSA-N 0 1 376.478 3.370 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)C[C@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000263321688 967870027 /nfs/dbraw/zinc/87/00/27/967870027.db2.gz JRIVPBWDENJWLQ-STQMWFEESA-N 0 1 376.478 3.370 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1C ZINC000263580922 967901591 /nfs/dbraw/zinc/90/15/91/967901591.db2.gz WMRGGCSXMHYVKT-FQEVSTJZSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1C ZINC000263580922 967901596 /nfs/dbraw/zinc/90/15/96/967901596.db2.gz WMRGGCSXMHYVKT-FQEVSTJZSA-N 0 1 387.505 3.470 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603654 968098586 /nfs/dbraw/zinc/09/85/86/968098586.db2.gz PIKCEXQCKJYJPO-MJGOQNOKSA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000382603651 968098645 /nfs/dbraw/zinc/09/86/45/968098645.db2.gz PIKCEXQCKJYJPO-IEBWSBKVSA-N 0 1 375.513 3.039 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000397959682 968262858 /nfs/dbraw/zinc/26/28/58/968262858.db2.gz DFIMMTYEPILLAX-SJLPKXTDSA-N 0 1 375.513 3.087 20 0 GGADMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000414636157 968340757 /nfs/dbraw/zinc/34/07/57/968340757.db2.gz JPZBRQBPGUIQRV-HNNXBMFYSA-N 0 1 388.489 3.118 20 0 GGADMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000430672619 968372463 /nfs/dbraw/zinc/37/24/63/968372463.db2.gz VNSCMTKUYPZSAR-UHFFFAOYSA-N 0 1 386.292 3.459 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000532881686 968401006 /nfs/dbraw/zinc/40/10/06/968401006.db2.gz PQONEGJILSHDPN-FQEVSTJZSA-N 0 1 396.487 3.069 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000532880887 968401270 /nfs/dbraw/zinc/40/12/70/968401270.db2.gz CYHASLCYKONDFV-OPAMFIHVSA-N 0 1 398.528 3.409 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000562616442 968413079 /nfs/dbraw/zinc/41/30/79/968413079.db2.gz VGSQEWRENAMRLX-IRXDYDNUSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000562616442 968413088 /nfs/dbraw/zinc/41/30/88/968413088.db2.gz VGSQEWRENAMRLX-IRXDYDNUSA-N 0 1 394.471 3.431 20 0 GGADMN Cc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000569344586 968440260 /nfs/dbraw/zinc/44/02/60/968440260.db2.gz RXKVOSWSOOUECK-UHFFFAOYSA-N 0 1 387.480 3.003 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000570160524 968442706 /nfs/dbraw/zinc/44/27/06/968442706.db2.gz CYVKFUDSNXBPBD-MDYRTPRTSA-N 0 1 386.517 3.386 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000575867789 968459113 /nfs/dbraw/zinc/45/91/13/968459113.db2.gz AIBAHKWOHGKTBM-DZGCQCFKSA-N 0 1 390.867 3.401 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000576584006 968461416 /nfs/dbraw/zinc/46/14/16/968461416.db2.gz KOVGDOYUBRXFBR-CZUORRHYSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000576584006 968461422 /nfs/dbraw/zinc/46/14/22/968461422.db2.gz KOVGDOYUBRXFBR-CZUORRHYSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CCC[C@H](CC(=O)[O-])C3)s2)c1 ZINC000579079421 968468341 /nfs/dbraw/zinc/46/83/41/968468341.db2.gz DIGHFBVRLKKXAG-MRXNPFEDSA-N 0 1 387.505 3.168 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CCC[C@H](CC(=O)[O-])C3)s2)c1 ZINC000579079421 968468351 /nfs/dbraw/zinc/46/83/51/968468351.db2.gz DIGHFBVRLKKXAG-MRXNPFEDSA-N 0 1 387.505 3.168 20 0 GGADMN C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@H]1C(=O)[O-] ZINC000583023277 968479243 /nfs/dbraw/zinc/47/92/43/968479243.db2.gz ZQHARSVKOVNQML-MBOZVWFJSA-N 0 1 387.524 3.313 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)C2(CC(=O)[O-])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583753015 968481353 /nfs/dbraw/zinc/48/13/53/968481353.db2.gz KNZSPCDHNHWSME-SUMWQHHRSA-N 0 1 382.863 3.233 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000629486956 968522832 /nfs/dbraw/zinc/52/28/32/968522832.db2.gz NHLYFGNDTRZSCX-UHFFFAOYSA-N 0 1 386.414 3.365 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC[C@@H]1C(=O)[O-] ZINC000629495808 968523070 /nfs/dbraw/zinc/52/30/70/968523070.db2.gz MEWFOAINZSEJAT-JXFKEZNVSA-N 0 1 393.487 3.362 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC[C@@H]1C(=O)[O-] ZINC000629495811 968523672 /nfs/dbraw/zinc/52/36/72/968523672.db2.gz MEWFOAINZSEJAT-UZLBHIALSA-N 0 1 393.487 3.362 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000635020391 968540678 /nfs/dbraw/zinc/54/06/78/968540678.db2.gz MUXXBDZPYVMSHZ-KSFYIVLOSA-N 0 1 398.459 3.229 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000635020393 968541029 /nfs/dbraw/zinc/54/10/29/968541029.db2.gz MUXXBDZPYVMSHZ-ZHRRBRCNSA-N 0 1 398.459 3.229 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)cc1 ZINC000635519799 968548435 /nfs/dbraw/zinc/54/84/35/968548435.db2.gz SEBBSXGUWZAHPI-XGXHKWSGSA-N 0 1 387.524 3.004 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000635529951 968550557 /nfs/dbraw/zinc/55/05/57/968550557.db2.gz LIKAJLONKSMRBB-MISYRCLQSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC000635529950 968550928 /nfs/dbraw/zinc/55/09/28/968550928.db2.gz LIKAJLONKSMRBB-HOJAQTOUSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1C(=O)[O-] ZINC000635530191 968551104 /nfs/dbraw/zinc/55/11/04/968551104.db2.gz SFCVMYWUNPOCHB-RLLQIKCJSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000643434177 968555138 /nfs/dbraw/zinc/55/51/38/968555138.db2.gz MRLMLQQLJWNUIY-KURKYZTESA-N 0 1 388.508 3.123 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000647367629 968572935 /nfs/dbraw/zinc/57/29/35/968572935.db2.gz YAIFAIHWHGKNRU-QLVMHMETSA-N 0 1 398.528 3.407 20 0 GGADMN CC(C)(C)c1cc(NC(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])n(-c2ccccc2)n1 ZINC000650504178 968601248 /nfs/dbraw/zinc/60/12/48/968601248.db2.gz ZXJZJTHDDQDNAH-KRWDZBQOSA-N 0 1 398.507 3.438 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC=CCC1 ZINC000653288021 968639367 /nfs/dbraw/zinc/63/93/67/968639367.db2.gz IUHHONZBTIWOQW-QHCPKHFHSA-N 0 1 382.504 3.312 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578312 968684617 /nfs/dbraw/zinc/68/46/17/968684617.db2.gz QORHMUQSKNAAKZ-QNDJGXFYSA-N 0 1 390.499 3.289 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578311 968684795 /nfs/dbraw/zinc/68/47/95/968684795.db2.gz QORHMUQSKNAAKZ-OYSPMZIOSA-N 0 1 390.499 3.289 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655578313 968684860 /nfs/dbraw/zinc/68/48/60/968684860.db2.gz QORHMUQSKNAAKZ-SKWUIDRYSA-N 0 1 390.499 3.289 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC000655860799 968695142 /nfs/dbraw/zinc/69/51/42/968695142.db2.gz MEFMBEYZNSBRCO-LPHOPBHVSA-N 0 1 375.513 3.217 20 0 GGADMN 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ZINC000659399918 975845312 /nfs/dbraw/zinc/84/53/12/975845312.db2.gz IHARLJPTRCFRCV-IEBWSBKVSA-N 0 1 393.915 3.372 20 0 GGADMN C[C@@]1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCC[N@H+]1Cc1ccccc1 ZINC000659401818 975846085 /nfs/dbraw/zinc/84/60/85/975846085.db2.gz SHEXTWNJMHWUIV-QFIPXVFZSA-N 0 1 387.524 3.328 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000659756392 975865387 /nfs/dbraw/zinc/86/53/87/975865387.db2.gz DZBWCVYKCLXYTG-PXNSSMCTSA-N 0 1 396.487 3.275 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659763923 975869947 /nfs/dbraw/zinc/86/99/47/975869947.db2.gz MPTXGWXQVMLUCA-RCCFBDPRSA-N 0 1 396.487 3.274 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000659790410 975877987 /nfs/dbraw/zinc/87/79/87/975877987.db2.gz SGHLXTYZBDDUKS-UHFFFAOYSA-N 0 1 379.460 3.476 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000659792243 975880651 /nfs/dbraw/zinc/88/06/51/975880651.db2.gz BWEQJZAASBAXIB-HNNXBMFYSA-N 0 1 375.852 3.145 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C[C@H]1c1ccccc1 ZINC000659796673 975886576 /nfs/dbraw/zinc/88/65/76/975886576.db2.gz ISYDNMWSNCCSPN-ZWKOTPCHSA-N 0 1 381.407 3.100 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662223014 975904868 /nfs/dbraw/zinc/90/48/68/975904868.db2.gz LKUCYKVGZADOIB-GUYCJALGSA-N 0 1 388.414 3.168 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662223014 975904875 /nfs/dbraw/zinc/90/48/75/975904875.db2.gz LKUCYKVGZADOIB-GUYCJALGSA-N 0 1 388.414 3.168 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662223010 975905034 /nfs/dbraw/zinc/90/50/34/975905034.db2.gz LKUCYKVGZADOIB-CXAGYDPISA-N 0 1 388.414 3.168 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662223010 975905039 /nfs/dbraw/zinc/90/50/39/975905039.db2.gz LKUCYKVGZADOIB-CXAGYDPISA-N 0 1 388.414 3.168 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)Cc2ccccc21 ZINC000662223457 975905834 /nfs/dbraw/zinc/90/58/34/975905834.db2.gz NJFOBMGCPFRZJJ-NRFANRHFSA-N 0 1 378.472 3.497 20 0 GGADMN O=C([O-])[C@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)Cc2ccccc21 ZINC000662224809 975909601 /nfs/dbraw/zinc/90/96/01/975909601.db2.gz VUESKSLOEWAZIX-NRFANRHFSA-N 0 1 392.499 3.299 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)Cc2ccccc21 ZINC000662224809 975909614 /nfs/dbraw/zinc/90/96/14/975909614.db2.gz VUESKSLOEWAZIX-NRFANRHFSA-N 0 1 392.499 3.299 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000663261301 975938029 /nfs/dbraw/zinc/93/80/29/975938029.db2.gz IVXREUXDUOKVQZ-LBPRGKRZSA-N 0 1 381.276 3.380 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000666543356 975968661 /nfs/dbraw/zinc/96/86/61/975968661.db2.gz XDYDMONDWLWGAO-HXUWFJFHSA-N 0 1 381.476 3.095 20 0 GGADMN O=C([O-])CCCCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000666557578 975972183 /nfs/dbraw/zinc/97/21/83/975972183.db2.gz PEVOVLFKKCVCHA-UHFFFAOYSA-N 0 1 395.503 3.358 20 0 GGADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCO[C@H](C(=O)[O-])C2)c1 ZINC000666580928 975974872 /nfs/dbraw/zinc/97/48/72/975974872.db2.gz UAENPVNSVTVTDK-FQEVSTJZSA-N 0 1 395.434 3.272 20 0 GGADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCO[C@H](C(=O)[O-])C2)c1 ZINC000666580928 975974878 /nfs/dbraw/zinc/97/48/78/975974878.db2.gz UAENPVNSVTVTDK-FQEVSTJZSA-N 0 1 395.434 3.272 20 0 GGADMN CC(C)Oc1ccnc(CN[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001591803578 976023574 /nfs/dbraw/zinc/02/35/74/976023574.db2.gz LFWRXVZYRLGBQG-JOCHJYFZSA-N 0 1 383.492 3.078 20 0 GGADMN CC(C)Oc1ccnc(CN[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001591803578 976023587 /nfs/dbraw/zinc/02/35/87/976023587.db2.gz LFWRXVZYRLGBQG-JOCHJYFZSA-N 0 1 383.492 3.078 20 0 GGADMN CC(C)Oc1ccnc(CN[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001591803579 976024100 /nfs/dbraw/zinc/02/41/00/976024100.db2.gz LFWRXVZYRLGBQG-QFIPXVFZSA-N 0 1 383.492 3.078 20 0 GGADMN CC(C)Oc1ccnc(CN[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001591803579 976024113 /nfs/dbraw/zinc/02/41/13/976024113.db2.gz LFWRXVZYRLGBQG-QFIPXVFZSA-N 0 1 383.492 3.078 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C(=O)[O-] ZINC001591867103 976180528 /nfs/dbraw/zinc/18/05/28/976180528.db2.gz PMGRWQCRHKBJNS-KRWDZBQOSA-N 0 1 386.414 3.143 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001591868238 976190185 /nfs/dbraw/zinc/19/01/85/976190185.db2.gz URZRSBQUJJDLMG-PKOBYXMFSA-N 0 1 384.879 3.102 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC001591868238 976190190 /nfs/dbraw/zinc/19/01/90/976190190.db2.gz URZRSBQUJJDLMG-PKOBYXMFSA-N 0 1 384.879 3.102 20 0 GGADMN CC(C)[C@H]([NH2+]Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C(=O)N1CCCC1 ZINC001591903845 976299030 /nfs/dbraw/zinc/29/90/30/976299030.db2.gz CCWOREFSBRTDGE-KRWDZBQOSA-N 0 1 387.505 3.245 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591910478 976319765 /nfs/dbraw/zinc/31/97/65/976319765.db2.gz FYEIJUAXOMNDDX-OAQYLSRUSA-N 0 1 380.488 3.296 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001591910462 976319860 /nfs/dbraw/zinc/31/98/60/976319860.db2.gz FUABRWOOHIKWCF-VQTJNVASSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001591910464 976320011 /nfs/dbraw/zinc/32/00/11/976320011.db2.gz FUABRWOOHIKWCF-WOJBJXKFSA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)c1[nH]c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1C(=O)[O-] ZINC001591912250 976339558 /nfs/dbraw/zinc/33/95/58/976339558.db2.gz HTBVKSHJLADMBX-UHFFFAOYSA-N 0 1 378.860 3.323 20 0 GGADMN CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC001591943622 976482133 /nfs/dbraw/zinc/48/21/33/976482133.db2.gz YZHAEIJRVLOCEV-QHCPKHFHSA-N 0 1 396.487 3.365 20 0 GGADMN CC(C)c1ccc(C2(C(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)CCCCC2)cc1 ZINC001591948355 976499069 /nfs/dbraw/zinc/49/90/69/976499069.db2.gz FYJKHJYBKOAMNY-LJQANCHMSA-N 0 1 386.536 3.487 20 0 GGADMN CC(C)c1ccc(C[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C(=O)[O-])n3)C2)cc1 ZINC001591952661 976512662 /nfs/dbraw/zinc/51/26/62/976512662.db2.gz LBVKGJOFIPKHBE-QGZVFWFLSA-N 0 1 381.476 3.406 20 0 GGADMN CC(C)c1ccc(C[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C(=O)[O-])n3)C2)cc1 ZINC001591952660 976512691 /nfs/dbraw/zinc/51/26/91/976512691.db2.gz LBVKGJOFIPKHBE-KRWDZBQOSA-N 0 1 381.476 3.406 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3C(=O)[O-])CC2)cc1 ZINC001591953902 976519796 /nfs/dbraw/zinc/51/97/96/976519796.db2.gz GJSYJIXMFJHEPV-UHFFFAOYSA-N 0 1 395.503 3.265 20 0 GGADMN CC(C)c1ccc(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c(C(=O)[O-])c1 ZINC001591962325 976546856 /nfs/dbraw/zinc/54/68/56/976546856.db2.gz IFEPGDNKMMESPI-UHFFFAOYSA-N 0 1 375.513 3.253 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001591971978 976569068 /nfs/dbraw/zinc/56/90/68/976569068.db2.gz ABFACSPPAPBRRX-SFHVURJKSA-N 0 1 390.524 3.128 20 0 GGADMN CC(C)c1ccc(Oc2cc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])ccn2)cc1 ZINC001591973196 976574059 /nfs/dbraw/zinc/57/40/59/976574059.db2.gz UQLSTTXDOUJQOD-SFHVURJKSA-N 0 1 394.431 3.146 20 0 GGADMN CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)CCC2 ZINC001591981714 976599246 /nfs/dbraw/zinc/59/92/46/976599246.db2.gz ZGVUGZRKBQGDMN-OXJNMPFZSA-N 0 1 387.524 3.378 20 0 GGADMN CC(C)c1[nH+]ccn1CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001592037133 976752096 /nfs/dbraw/zinc/75/20/96/976752096.db2.gz AYOWUIPQHNKDMV-UHFFFAOYSA-N 0 1 383.370 3.139 20 0 GGADMN CC(C)c1ncc2c(n1)CC[N@@H+](Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])C2 ZINC001592037551 976755920 /nfs/dbraw/zinc/75/59/20/976755920.db2.gz RDRNRKDJVKKGIA-UHFFFAOYSA-N 0 1 382.439 3.487 20 0 GGADMN CC(C)c1ncc2c(n1)CC[N@H+](Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])C2 ZINC001592037551 976755927 /nfs/dbraw/zinc/75/59/27/976755927.db2.gz RDRNRKDJVKKGIA-UHFFFAOYSA-N 0 1 382.439 3.487 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001592148267 977009894 /nfs/dbraw/zinc/00/98/94/977009894.db2.gz HQBKPQDNMOHOAD-MRXNPFEDSA-N 0 1 379.464 3.485 20 0 GGADMN C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001592193015 977149967 /nfs/dbraw/zinc/14/99/67/977149967.db2.gz HUOYYDMFWLQZHK-NGRMBUTOSA-N 0 1 384.451 3.172 20 0 GGADMN C[C@H]1C[N@H+](Cc2ncc(Br)cc2Br)C[C@]1(C)C(=O)[O-] ZINC000710308071 977501871 /nfs/dbraw/zinc/50/18/71/977501871.db2.gz LBMXBRXPSALMEJ-SDBXPKJASA-N 0 1 392.091 3.149 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ncc(Br)cc2Br)C[C@]1(C)C(=O)[O-] ZINC000710308071 977501874 /nfs/dbraw/zinc/50/18/74/977501874.db2.gz LBMXBRXPSALMEJ-SDBXPKJASA-N 0 1 392.091 3.149 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccnc1 ZINC001592329652 977761139 /nfs/dbraw/zinc/76/11/39/977761139.db2.gz KCDOXCYZWNKWSM-JOCHJYFZSA-N 0 1 394.450 3.375 20 0 GGADMN C[C@@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2o1)c1ccncc1 ZINC001592329659 977761322 /nfs/dbraw/zinc/76/13/22/977761322.db2.gz KEOVISJPPYNFGJ-KRWDZBQOSA-N 0 1 390.237 3.465 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3cccc(I)c3)C[C@H]1CCCC2 ZINC000715772502 977783061 /nfs/dbraw/zinc/78/30/61/977783061.db2.gz NUIJISXLJHTACS-CZUORRHYSA-N 0 1 385.245 3.368 20 0 GGADMN C[C@@H](CC(=O)[O-])CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001592375655 977911957 /nfs/dbraw/zinc/91/19/57/977911957.db2.gz PBDWUUOHLKMOQO-CQSZACIVSA-N 0 1 386.414 3.241 20 0 GGADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)CSc2ccc3c4c(cccc42)CC3)CC1 ZINC001592410891 978008338 /nfs/dbraw/zinc/00/83/38/978008338.db2.gz XLYDXYAODWLXCN-OAHLLOKOSA-N 0 1 398.528 3.038 20 0 GGADMN C[C@@H]1CN(C(=O)NCC(C)(C)CC(=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000720895745 978078175 /nfs/dbraw/zinc/07/81/75/978078175.db2.gz CCURJMHYBSNPFD-IXDOHACOSA-N 0 1 375.513 3.180 20 0 GGADMN C[C@@H](CCNC(=O)NCC1(CC(=O)[O-])CCCC1)[N@@H+](C)Cc1ccccc1 ZINC001592513479 978346526 /nfs/dbraw/zinc/34/65/26/978346526.db2.gz QOMRVTQUECDQJR-KRWDZBQOSA-N 0 1 375.513 3.231 20 0 GGADMN C[C@H](CCNC(=O)Nc1cccc(OCC(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC001592521998 978378825 /nfs/dbraw/zinc/37/88/25/978378825.db2.gz TZOFTYVSOMTVKP-MRXNPFEDSA-N 0 1 385.464 3.182 20 0 GGADMN CC(C)([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000737598341 978421691 /nfs/dbraw/zinc/42/16/91/978421691.db2.gz XJVHEGIVHHRCTC-OAHLLOKOSA-N 0 1 395.415 3.156 20 0 GGADMN CC(C)([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000737598339 978421733 /nfs/dbraw/zinc/42/17/33/978421733.db2.gz XJVHEGIVHHRCTC-HNNXBMFYSA-N 0 1 395.415 3.156 20 0 GGADMN C[C@H](CCc1ccccc1)[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001592540449 978423480 /nfs/dbraw/zinc/42/34/80/978423480.db2.gz JLLISCPBMTZXQE-SJLPKXTDSA-N 0 1 388.508 3.261 20 0 GGADMN C[C@@H](CCc1ccccc1)[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001592540450 978423659 /nfs/dbraw/zinc/42/36/59/978423659.db2.gz JLLISCPBMTZXQE-WMZOPIPTSA-N 0 1 388.508 3.261 20 0 GGADMN C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)[O-])CC1)c1cc(F)c(Cl)cc1Cl ZINC000737701806 978432689 /nfs/dbraw/zinc/43/26/89/978432689.db2.gz UZRREXXCEZLITA-SECBINFHSA-N 0 1 377.243 3.106 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)C1 ZINC001592556447 978443896 /nfs/dbraw/zinc/44/38/96/978443896.db2.gz VKEYRLRHYDXRAU-MRXNPFEDSA-N 0 1 397.519 3.120 20 0 GGADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C ZINC001592578682 978485328 /nfs/dbraw/zinc/48/53/28/978485328.db2.gz AUAOSXSKHVIVAN-OTYXRUKQSA-N 0 1 376.375 3.075 20 0 GGADMN C[C@H](C[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H](C)CO)c1ccccc1 ZINC001592609612 978555949 /nfs/dbraw/zinc/55/59/49/978555949.db2.gz FGUDVEZWFGJXEJ-CABCVRRESA-N 0 1 395.459 3.020 20 0 GGADMN C[C@@H](C[N@H+]1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1)C1CCCCC1 ZINC001592612157 978572645 /nfs/dbraw/zinc/57/26/45/978572645.db2.gz YPCRKOQRXZOFBR-RDJZCZTQSA-N 0 1 380.529 3.456 20 0 GGADMN O=C([O-])c1occc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000740281604 978674024 /nfs/dbraw/zinc/67/40/24/978674024.db2.gz MLKSOCQNCBROFH-UHFFFAOYSA-N 0 1 377.828 3.371 20 0 GGADMN O=C([O-])c1occc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000740281604 978674026 /nfs/dbraw/zinc/67/40/26/978674026.db2.gz MLKSOCQNCBROFH-UHFFFAOYSA-N 0 1 377.828 3.371 20 0 GGADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000768785005 978739952 /nfs/dbraw/zinc/73/99/52/978739952.db2.gz WXWKIVOIVCUJCD-UHFFFAOYSA-N 0 1 382.460 3.000 20 0 GGADMN CC(C)OCC[NH+]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000827031075 978952252 /nfs/dbraw/zinc/95/22/52/978952252.db2.gz UOJXTSIXSSDHFI-UHFFFAOYSA-N 0 1 389.521 3.051 20 0 GGADMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829162254 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QHGBZQJWDKREFP-JTQLQIEISA-N 0 1 395.431 3.293 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[N@H+]1CCc2sccc2C1 ZINC001592675305 979088508 /nfs/dbraw/zinc/08/85/08/979088508.db2.gz QHGBZQJWDKREFP-JTQLQIEISA-N 0 1 395.431 3.293 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001595018213 979088406 /nfs/dbraw/zinc/08/84/06/979088406.db2.gz PWVXCNFEKNIKRQ-DLBZAZTESA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001595018251 979089500 /nfs/dbraw/zinc/08/95/00/979089500.db2.gz QKRGKBXFXUEWMV-SJLPKXTDSA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001595018250 979089522 /nfs/dbraw/zinc/08/95/22/979089522.db2.gz QKRGKBXFXUEWMV-FUHWJXTLSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682868 979107055 /nfs/dbraw/zinc/10/70/55/979107055.db2.gz GRWZHTGGEXBOQN-UPJWGTAASA-N 0 1 391.493 3.219 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592682868 979107061 /nfs/dbraw/zinc/10/70/61/979107061.db2.gz GRWZHTGGEXBOQN-UPJWGTAASA-N 0 1 391.493 3.219 20 0 GGADMN O=C([O-])CC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000833232753 979123633 /nfs/dbraw/zinc/12/36/33/979123633.db2.gz KRGLVEPDMWWBJJ-XMMPIXPASA-N 0 1 394.320 3.057 20 0 GGADMN CCOc1ccccc1CN1CC[N@@H+](CCOc2ccccc2C(=O)[O-])[C@H](C)C1 ZINC000836693559 979246841 /nfs/dbraw/zinc/24/68/41/979246841.db2.gz SDXNMJCIXWDPGT-GOSISDBHSA-N 0 1 398.503 3.369 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2)C[C@H](C)O1 ZINC000841771911 979307931 /nfs/dbraw/zinc/30/79/31/979307931.db2.gz ZYASEOAEPHWBNR-IYBDPMFKSA-N 0 1 394.471 3.197 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2)C[C@H](C)O1 ZINC000841771911 979307939 /nfs/dbraw/zinc/30/79/39/979307939.db2.gz ZYASEOAEPHWBNR-IYBDPMFKSA-N 0 1 394.471 3.197 20 0 GGADMN C[C@](CO)([NH2+]Cc1ccc(C(=O)[O-])cc1F)c1cccc(Br)c1 ZINC001592750947 979318032 /nfs/dbraw/zinc/31/80/32/979318032.db2.gz QLBASBREOLBUAA-QGZVFWFLSA-N 0 1 382.229 3.284 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000842659105 979323645 /nfs/dbraw/zinc/32/36/45/979323645.db2.gz ANJSSRHIXRHFIB-NEPJUHHUSA-N 0 1 383.286 3.340 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000842674208 979324482 /nfs/dbraw/zinc/32/44/82/979324482.db2.gz VZIYSSPUXCYQCS-WOJBJXKFSA-N 0 1 384.520 3.392 20 0 GGADMN C[C@](CO)([NH2+]Cc1ccc(/C=C\C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001592751552 979325563 /nfs/dbraw/zinc/32/55/63/979325563.db2.gz YSQNZAMTNGSYCL-XZVRFQMRSA-N 0 1 380.238 3.137 20 0 GGADMN O=C([O-])c1ccc(CNc2nc(N3CCCC3)cc[nH+]2)c(Br)c1 ZINC000844218713 979381839 /nfs/dbraw/zinc/38/18/39/979381839.db2.gz NFSSPIZMZBQRMQ-UHFFFAOYSA-N 0 1 377.242 3.150 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)co2)cc1 ZINC000846243329 979419819 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CCC(CC)C[N@@H+](CC)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595111324 979456944 /nfs/dbraw/zinc/45/69/44/979456944.db2.gz GDIZSTWMCYFFAJ-UHFFFAOYSA-N 0 1 384.498 3.238 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000846288938 979459071 /nfs/dbraw/zinc/45/90/71/979459071.db2.gz IZBSAJOFDVHULW-KURKYZTESA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000846289266 979459819 /nfs/dbraw/zinc/45/98/19/979459819.db2.gz QEXZRRDYTDVNQX-KSZLIROESA-N 0 1 390.277 3.283 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@H]2CCCC[C@H]12 ZINC000849345309 979496405 /nfs/dbraw/zinc/49/64/05/979496405.db2.gz ICYHWAVUUVOMHJ-NCOADZHNSA-N 0 1 382.298 3.448 20 0 GGADMN CC[C@@H](C[N@@H+](C)CCC(=O)N(C)CC(=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC001595129423 979534361 /nfs/dbraw/zinc/53/43/61/979534361.db2.gz JCKGGDISGUZHCF-LBPRGKRZSA-N 0 1 391.295 3.016 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 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395.503 3.340 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(C(=O)[O-])cs1)CC2 ZINC000872159288 980043212 /nfs/dbraw/zinc/04/32/12/980043212.db2.gz RMGOKFAPFCKUNX-UHFFFAOYSA-N 0 1 377.462 3.073 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000872168188 980070400 /nfs/dbraw/zinc/07/04/00/980070400.db2.gz RWZSOVBKXJXZBG-YGRLFVJLSA-N 0 1 381.778 3.459 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000872168188 980070407 /nfs/dbraw/zinc/07/04/07/980070407.db2.gz RWZSOVBKXJXZBG-YGRLFVJLSA-N 0 1 381.778 3.459 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1cc3c(cc1Br)OCCCO3)CC2 ZINC000872168585 980071102 /nfs/dbraw/zinc/07/11/02/980071102.db2.gz WDAZZANWBWBEPX-AEFFLSMTSA-N 0 1 396.281 3.440 20 0 GGADMN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000872736953 980129258 /nfs/dbraw/zinc/12/92/58/980129258.db2.gz WZQQNDXLWCNILG-CQSZACIVSA-N 0 1 387.505 3.048 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC001592989194 980170795 /nfs/dbraw/zinc/17/07/95/980170795.db2.gz AQERASXNNXMWBN-KHYOSLBOSA-N 0 1 390.549 3.023 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000900073242 980245630 /nfs/dbraw/zinc/24/56/30/980245630.db2.gz GJVXIBVKZJEGAE-HNNXBMFYSA-N 0 1 385.855 3.104 20 0 GGADMN COc1cccc(-c2csc(C[NH2+][C@H]3CCCn4nc(C(=O)[O-])cc43)n2)c1 ZINC000900073649 980245653 /nfs/dbraw/zinc/24/56/53/980245653.db2.gz KNLKBSBUHKKUEJ-AWEZNQCLSA-N 0 1 384.461 3.338 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Br)cnc1Cl ZINC000900074792 980246703 /nfs/dbraw/zinc/24/67/03/980246703.db2.gz YFLXEBFOQYKGMG-SNVBAGLBSA-N 0 1 385.649 3.017 20 0 GGADMN CCC(=O)N1CCC[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC000901423557 980268837 /nfs/dbraw/zinc/26/88/37/980268837.db2.gz FVJGCTGPDFOEIC-UHFFFAOYSA-N 0 1 396.487 3.408 20 0 GGADMN CCC(=O)N1CCC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC000901423557 980268845 /nfs/dbraw/zinc/26/88/45/980268845.db2.gz FVJGCTGPDFOEIC-UHFFFAOYSA-N 0 1 396.487 3.408 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1Cl ZINC000901424570 980268908 /nfs/dbraw/zinc/26/89/08/980268908.db2.gz OTXYGUWVLMTKEP-UHFFFAOYSA-N 0 1 378.881 3.448 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1Cl ZINC000901424570 980268918 /nfs/dbraw/zinc/26/89/18/980268918.db2.gz OTXYGUWVLMTKEP-UHFFFAOYSA-N 0 1 378.881 3.448 20 0 GGADMN CCC[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000901427917 980274329 /nfs/dbraw/zinc/27/43/29/980274329.db2.gz BUEVGJVMWQGORH-UHFFFAOYSA-N 0 1 381.476 3.297 20 0 GGADMN C[C@@H](NC(=O)C[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1)c1ccc(F)cc1 ZINC001593025971 980286539 /nfs/dbraw/zinc/28/65/39/980286539.db2.gz PDWGPXDTFYIQIJ-GFCCVEGCSA-N 0 1 391.468 3.037 20 0 GGADMN Cc1ccc(C(=O)N2CC[NH+](Cc3ccnc4c(C(=O)[O-])cccc34)CC2)cc1 ZINC000901439630 980288344 /nfs/dbraw/zinc/28/83/44/980288344.db2.gz VFDKMTMPIAYQAM-UHFFFAOYSA-N 0 1 389.455 3.199 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000901469970 980301860 /nfs/dbraw/zinc/30/18/60/980301860.db2.gz NMCJBDIVQWBBPQ-HXOBKFHXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000901469970 980301867 /nfs/dbraw/zinc/30/18/67/980301867.db2.gz NMCJBDIVQWBBPQ-HXOBKFHXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@@H](NC(=O)C[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])c1ccc(F)cc1 ZINC001593030091 980302870 /nfs/dbraw/zinc/30/28/70/980302870.db2.gz WZHKXOWXOQDEGT-FZKQIMNGSA-N 0 1 384.407 3.035 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC001595279633 980322095 /nfs/dbraw/zinc/32/20/95/980322095.db2.gz UBMKGBXTDFDGGQ-SGTLLEGYSA-N 0 1 376.403 3.409 20 0 GGADMN O=C([O-])C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCO1 ZINC000901503831 980324673 /nfs/dbraw/zinc/32/46/73/980324673.db2.gz WWIDLVDDVUFKJM-FQEVSTJZSA-N 0 1 395.434 3.354 20 0 GGADMN O=C([O-])C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCO1 ZINC000901503831 980324679 /nfs/dbraw/zinc/32/46/79/980324679.db2.gz WWIDLVDDVUFKJM-FQEVSTJZSA-N 0 1 395.434 3.354 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000901522213 980341553 /nfs/dbraw/zinc/34/15/53/980341553.db2.gz NCOKPCZTHFETFI-GFCCVEGCSA-N 0 1 380.286 3.420 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nn1 ZINC000901523737 980345829 /nfs/dbraw/zinc/34/58/29/980345829.db2.gz GRAAUTSWRSQFAZ-NSHDSACASA-N 0 1 386.786 3.068 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)nn1 ZINC000901523737 980345836 /nfs/dbraw/zinc/34/58/36/980345836.db2.gz GRAAUTSWRSQFAZ-NSHDSACASA-N 0 1 386.786 3.068 20 0 GGADMN Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1Br ZINC000901524851 980348023 /nfs/dbraw/zinc/34/80/23/980348023.db2.gz INFBAAJDPXRSAS-AWEZNQCLSA-N 0 1 393.285 3.193 20 0 GGADMN C[C@H](NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001593052169 980352929 /nfs/dbraw/zinc/35/29/29/980352929.db2.gz ALLYCECDUAYSGD-YZZKKUAISA-N 0 1 399.535 3.077 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)nn1 ZINC000901527198 980353852 /nfs/dbraw/zinc/35/38/52/980353852.db2.gz XGEBRSXWMSATDJ-IBGZPJMESA-N 0 1 376.460 3.445 20 0 GGADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)nn1 ZINC000901529607 980357135 /nfs/dbraw/zinc/35/71/35/980357135.db2.gz YYDDUAAFCJZFEP-AWEZNQCLSA-N 0 1 389.887 3.067 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000901540298 980367052 /nfs/dbraw/zinc/36/70/52/980367052.db2.gz AMVNDNGWRRHAAE-OAQYLSRUSA-N 0 1 381.432 3.116 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000901540296 980367608 /nfs/dbraw/zinc/36/76/08/980367608.db2.gz AMVNDNGWRRHAAE-NRFANRHFSA-N 0 1 381.432 3.116 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)ccc1OCc1cccs1 ZINC000901541616 980369882 /nfs/dbraw/zinc/36/98/82/980369882.db2.gz JDTQXXJZULUGTE-IBGZPJMESA-N 0 1 377.462 3.011 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000901543610 980372296 /nfs/dbraw/zinc/37/22/96/980372296.db2.gz WFSSPDGUAOJOBV-ZDUSSCGKSA-N 0 1 382.176 3.143 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000901543610 980372301 /nfs/dbraw/zinc/37/23/01/980372301.db2.gz WFSSPDGUAOJOBV-ZDUSSCGKSA-N 0 1 382.176 3.143 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000901588806 980394330 /nfs/dbraw/zinc/39/43/30/980394330.db2.gz GIBTXXRXMFXDCP-UHFFFAOYSA-N 0 1 380.286 3.486 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000901588260 980394545 /nfs/dbraw/zinc/39/45/45/980394545.db2.gz CLMFITOUNQZZEG-UHFFFAOYSA-N 0 1 380.286 3.486 20 0 GGADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000901589721 980396062 /nfs/dbraw/zinc/39/60/62/980396062.db2.gz DSKMQOMXTPNQNB-UHFFFAOYSA-N 0 1 394.107 3.336 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000901626423 980411610 /nfs/dbraw/zinc/41/16/10/980411610.db2.gz ZTRROSCCFASQMA-IFMALSPDSA-N 0 1 392.499 3.440 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000901664835 980433850 /nfs/dbraw/zinc/43/38/50/980433850.db2.gz ZQFXFTWZIVRHGS-UHFFFAOYSA-N 0 1 384.192 3.391 20 0 GGADMN Cn1cc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c(-c2cc3ccccc3o2)n1 ZINC000901677759 980440419 /nfs/dbraw/zinc/44/04/19/980440419.db2.gz LYTIKDLZNKNJCH-KRWDZBQOSA-N 0 1 383.448 3.289 20 0 GGADMN O=C([O-])CC[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCCO1 ZINC000901678933 980441425 /nfs/dbraw/zinc/44/14/25/980441425.db2.gz SMZAWXRTZGMREV-INIZCTEOSA-N 0 1 396.281 3.181 20 0 GGADMN CN(c1ccccc1CNCc1ccc(C(=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000901758946 980489751 /nfs/dbraw/zinc/48/97/51/980489751.db2.gz OSGRZZYCFJIGTD-UHFFFAOYSA-N 0 1 385.483 3.344 20 0 GGADMN O=C([O-])c1cc(I)cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000901774176 980504406 /nfs/dbraw/zinc/50/44/06/980504406.db2.gz JKCMOKHBOYQZOQ-TZMCWYRMSA-N 0 1 386.233 3.028 20 0 GGADMN CC[C@](O)(C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1)C(F)(F)F ZINC001595326305 980537817 /nfs/dbraw/zinc/53/78/17/980537817.db2.gz IXPKWYLAZDTDRR-ZDUSSCGKSA-N 0 1 384.192 3.039 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000901824508 980544161 /nfs/dbraw/zinc/54/41/61/980544161.db2.gz AAHROWPOGRJVGM-JOCHJYFZSA-N 0 1 377.444 3.314 20 0 GGADMN Cc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ncc1Br ZINC000901824528 980544341 /nfs/dbraw/zinc/54/43/41/980544341.db2.gz AAJJXWXQEXBEBC-SFHVURJKSA-N 0 1 375.266 3.381 20 0 GGADMN COc1ccccc1-n1nccc1C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000901825753 980544971 /nfs/dbraw/zinc/54/49/71/980544971.db2.gz AJDWVEAXADPRJS-JOCHJYFZSA-N 0 1 377.444 3.109 20 0 GGADMN Cc1nn2c(C[N@H+]3CC[C@](C(=O)[O-])(c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000901826149 980546457 /nfs/dbraw/zinc/54/64/57/980546457.db2.gz GUGPQDSABCKQOX-HXUWFJFHSA-N 0 1 384.505 3.451 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000901828833 980548478 /nfs/dbraw/zinc/54/84/78/980548478.db2.gz NNBSLNNKHQYAQZ-JOCHJYFZSA-N 0 1 379.435 3.299 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000901830554 980550497 /nfs/dbraw/zinc/55/04/97/980550497.db2.gz ZMCNRZUMYRIWTJ-QFIPXVFZSA-N 0 1 391.427 3.034 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000901830551 980550915 /nfs/dbraw/zinc/55/09/15/980550915.db2.gz ZMCNRZUMYRIWTJ-JOCHJYFZSA-N 0 1 391.427 3.034 20 0 GGADMN C[N@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901831794 980551170 /nfs/dbraw/zinc/55/11/70/980551170.db2.gz DAURHDDRZYKLMZ-UHFFFAOYSA-N 0 1 397.397 3.334 20 0 GGADMN C[N@@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901831794 980551175 /nfs/dbraw/zinc/55/11/75/980551175.db2.gz DAURHDDRZYKLMZ-UHFFFAOYSA-N 0 1 397.397 3.334 20 0 GGADMN Cc1cc(Br)cn2c(C[NH2+][C@H](C)c3ncc(C(=O)[O-])s3)cnc12 ZINC000901907571 980620660 /nfs/dbraw/zinc/62/06/60/980620660.db2.gz IIGFVOJVUUYLNI-SECBINFHSA-N 0 1 395.282 3.411 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)C[C@H]1CCCC2 ZINC000901917027 980625770 /nfs/dbraw/zinc/62/57/70/980625770.db2.gz FOZPLNRORQHRSA-FOIQADDNSA-N 0 1 378.900 3.253 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901918279 980627140 /nfs/dbraw/zinc/62/71/40/980627140.db2.gz YHOUVQOZTMHUGO-KSSFIOAISA-N 0 1 385.913 3.210 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000901918279 980627144 /nfs/dbraw/zinc/62/71/44/980627144.db2.gz YHOUVQOZTMHUGO-KSSFIOAISA-N 0 1 385.913 3.210 20 0 GGADMN Cc1cc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)oc1C(=O)[O-] ZINC000901937294 980640333 /nfs/dbraw/zinc/64/03/33/980640333.db2.gz HMFXXPGMUVMEMR-UHFFFAOYSA-N 0 1 378.226 3.295 20 0 GGADMN O=C([O-])c1ccc(/C=C/C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000901968209 980655455 /nfs/dbraw/zinc/65/54/55/980655455.db2.gz BBAVETQSPHGBNE-VQHVLOKHSA-N 0 1 388.851 3.379 20 0 GGADMN O=C([O-])c1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000901968209 980655457 /nfs/dbraw/zinc/65/54/57/980655457.db2.gz BBAVETQSPHGBNE-VQHVLOKHSA-N 0 1 388.851 3.379 20 0 GGADMN COc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])ccc1OCc1ccncc1 ZINC000901982925 980661884 /nfs/dbraw/zinc/66/18/84/980661884.db2.gz KQHWHVSBTTWBIF-QGZVFWFLSA-N 0 1 388.489 3.061 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000901982983 980661990 /nfs/dbraw/zinc/66/19/90/980661990.db2.gz MKLIRKVPHILHMJ-JTQLQIEISA-N 0 1 396.253 3.443 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000901982983 980661993 /nfs/dbraw/zinc/66/19/93/980661993.db2.gz MKLIRKVPHILHMJ-JTQLQIEISA-N 0 1 396.253 3.443 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CCOCC1 ZINC000901983675 980662776 /nfs/dbraw/zinc/66/27/76/980662776.db2.gz HPZMDVFCQDIDKK-UHFFFAOYSA-N 0 1 377.872 3.041 20 0 GGADMN O=C([O-])C[N@H+](Cc1nc2ccc(Br)cc2s1)C1CCOCC1 ZINC000901983497 980663010 /nfs/dbraw/zinc/66/30/10/980663010.db2.gz GHMVDZCUOYAPPT-UHFFFAOYSA-N 0 1 385.283 3.124 20 0 GGADMN O=C([O-])C[N@@H+](Cc1nc2ccc(Br)cc2s1)C1CCOCC1 ZINC000901983497 980663013 /nfs/dbraw/zinc/66/30/13/980663013.db2.gz GHMVDZCUOYAPPT-UHFFFAOYSA-N 0 1 385.283 3.124 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccnc2c(Br)cccc12)C1CCOCC1 ZINC000901984652 980665805 /nfs/dbraw/zinc/66/58/05/980665805.db2.gz OVZIAHLGTGTCQF-UHFFFAOYSA-N 0 1 379.254 3.063 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC1(OC)CCCCC1)CC2 ZINC000902000720 980675529 /nfs/dbraw/zinc/67/55/29/980675529.db2.gz DWVNFVHGJBKNBI-QGZVFWFLSA-N 0 1 377.481 3.427 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC1(OC)CCCCC1)CC2 ZINC000902000719 980675667 /nfs/dbraw/zinc/67/56/67/980675667.db2.gz DWVNFVHGJBKNBI-KRWDZBQOSA-N 0 1 377.481 3.427 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cn(C(C)C)nc1C)CC2 ZINC000902001092 980676525 /nfs/dbraw/zinc/67/65/25/980676525.db2.gz NWXKJWYTPGZUQK-SFHVURJKSA-N 0 1 387.480 3.364 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cn(C(C)C)nc1C)CC2 ZINC000902001092 980676528 /nfs/dbraw/zinc/67/65/28/980676528.db2.gz NWXKJWYTPGZUQK-SFHVURJKSA-N 0 1 387.480 3.364 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cnc(C(C)(C)C)nc1)CC2 ZINC000902001894 980679319 /nfs/dbraw/zinc/67/93/19/980679319.db2.gz WNZSRHZEOJPYAD-QGZVFWFLSA-N 0 1 399.491 3.365 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cnc(C(C)(C)C)nc1)CC2 ZINC000902001894 980679322 /nfs/dbraw/zinc/67/93/22/980679322.db2.gz WNZSRHZEOJPYAD-QGZVFWFLSA-N 0 1 399.491 3.365 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc3n[nH]cc31)CC2 ZINC000902001889 980679859 /nfs/dbraw/zinc/67/98/59/980679859.db2.gz WMWYRFCTLSHKDR-GOSISDBHSA-N 0 1 381.432 3.154 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1OCc1cccnc1 ZINC000902006617 980683882 /nfs/dbraw/zinc/68/38/82/980683882.db2.gz GZPCCKLOMNOIJJ-WFXMLNOXSA-N 0 1 382.460 3.354 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc(Br)c1OC(F)F ZINC000902006367 980684150 /nfs/dbraw/zinc/68/41/50/980684150.db2.gz DPMIJQSTNUDIDB-JTQLQIEISA-N 0 1 394.212 3.498 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000902009176 980686806 /nfs/dbraw/zinc/68/68/06/980686806.db2.gz ACRBJSIKLLMRLU-FQEVSTJZSA-N 0 1 376.460 3.433 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc(OC)c1OCC(F)F ZINC000902011371 980689895 /nfs/dbraw/zinc/68/98/95/980689895.db2.gz LCBYOROFKGRIGO-OGHNNQOOSA-N 0 1 385.407 3.033 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)[C@@H](C(=O)[O-])C1 ZINC000902029610 980699486 /nfs/dbraw/zinc/69/94/86/980699486.db2.gz MOGILAQYUAWZDF-SWLSCSKDSA-N 0 1 379.254 3.061 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1OCc1ccccc1 ZINC000902031296 980702099 /nfs/dbraw/zinc/70/20/99/980702099.db2.gz IWKSWPQHMFFUKP-RBUKOAKNSA-N 0 1 385.460 3.338 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC000902035273 980706788 /nfs/dbraw/zinc/70/67/88/980706788.db2.gz SXRCLZRLEXOQJE-WOJBJXKFSA-N 0 1 384.476 3.341 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])ccc1OCC(F)(F)F ZINC000902037259 980708419 /nfs/dbraw/zinc/70/84/19/980708419.db2.gz ZCOVSNWADQOSJG-KGLIPLIRSA-N 0 1 391.386 3.090 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000902070314 980719692 /nfs/dbraw/zinc/71/96/92/980719692.db2.gz NASCZCQGJCJLFR-ZDUSSCGKSA-N 0 1 394.493 3.168 20 0 GGADMN O=C([O-])CN1CCC([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000902073328 980721313 /nfs/dbraw/zinc/72/13/13/980721313.db2.gz LIXGHSBIKQVNTL-RZDLDHBLSA-N 0 1 376.500 3.422 20 0 GGADMN COc1ccc(C[C@H]2CCC[N@@H+](Cc3c(C)nn(CCC(=O)[O-])c3C)C2)cc1 ZINC000902124527 980746337 /nfs/dbraw/zinc/74/63/37/980746337.db2.gz FWRNGVNNTIQHIU-LJQANCHMSA-N 0 1 385.508 3.438 20 0 GGADMN CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902125953 980747276 /nfs/dbraw/zinc/74/72/76/980747276.db2.gz AWOYAJRTJGJGHN-UHFFFAOYSA-N 0 1 378.831 3.316 20 0 GGADMN CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902125953 980747282 /nfs/dbraw/zinc/74/72/82/980747282.db2.gz AWOYAJRTJGJGHN-UHFFFAOYSA-N 0 1 378.831 3.316 20 0 GGADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001595360293 980750755 /nfs/dbraw/zinc/75/07/55/980750755.db2.gz GHAHGNDBJZTJQV-GHTZIAJQSA-N 0 1 382.460 3.446 20 0 GGADMN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001595360296 980750816 /nfs/dbraw/zinc/75/08/16/980750816.db2.gz GHAHGNDBJZTJQV-WIYYLYMNSA-N 0 1 382.460 3.446 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000902145268 980756255 /nfs/dbraw/zinc/75/62/55/980756255.db2.gz XBCUUCXQIHFBSC-ZMOVQZPESA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000902145265 980756513 /nfs/dbraw/zinc/75/65/13/980756513.db2.gz XBCUUCXQIHFBSC-SINXNMPMSA-N 0 1 382.460 3.360 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000902146848 980757409 /nfs/dbraw/zinc/75/74/09/980757409.db2.gz IHXFCGPIWCCIRM-UHFFFAOYSA-N 0 1 395.507 3.429 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000902197425 980778692 /nfs/dbraw/zinc/77/86/92/980778692.db2.gz FNZNSKCXNNLUTH-IBGZPJMESA-N 0 1 389.471 3.295 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000902197425 980778693 /nfs/dbraw/zinc/77/86/93/980778693.db2.gz FNZNSKCXNNLUTH-IBGZPJMESA-N 0 1 389.471 3.295 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CCCON1C(=O)c2ccccc2C1=O)CC(=O)[O-] ZINC001595364334 980793209 /nfs/dbraw/zinc/79/32/09/980793209.db2.gz QJSHQUQATOKFLO-IBGZPJMESA-N 0 1 396.443 3.142 20 0 GGADMN CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595364534 980794526 /nfs/dbraw/zinc/79/45/26/980794526.db2.gz XLUXCGMKIZLKEE-PMACEKPBSA-N 0 1 396.487 3.116 20 0 GGADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595364534 980794528 /nfs/dbraw/zinc/79/45/28/980794528.db2.gz XLUXCGMKIZLKEE-PMACEKPBSA-N 0 1 396.487 3.116 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]Cc1cn(CC(=O)[O-])nn1 ZINC000902235809 980794817 /nfs/dbraw/zinc/79/48/17/980794817.db2.gz OADOBVIOYWEKPA-SNVBAGLBSA-N 0 1 391.884 3.299 20 0 GGADMN CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595364537 980795016 /nfs/dbraw/zinc/79/50/16/980795016.db2.gz XLUXCGMKIZLKEE-WOJBJXKFSA-N 0 1 396.487 3.116 20 0 GGADMN CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595364537 980795019 /nfs/dbraw/zinc/79/50/19/980795019.db2.gz XLUXCGMKIZLKEE-WOJBJXKFSA-N 0 1 396.487 3.116 20 0 GGADMN O=C([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)o2)cc1 ZINC000902253714 980800553 /nfs/dbraw/zinc/80/05/53/980800553.db2.gz UQFVKZXQCOHOLY-SFHVURJKSA-N 0 1 382.460 3.479 20 0 GGADMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1 ZINC001595368430 980827079 /nfs/dbraw/zinc/82/70/79/980827079.db2.gz IOEHVWHUJNDLBG-HXUWFJFHSA-N 0 1 378.469 3.038 20 0 GGADMN CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)C1 ZINC001595368430 980827083 /nfs/dbraw/zinc/82/70/83/980827083.db2.gz IOEHVWHUJNDLBG-HXUWFJFHSA-N 0 1 378.469 3.038 20 0 GGADMN C[C@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)Oc1cccc(Br)c1 ZINC000902315690 980829989 /nfs/dbraw/zinc/82/99/89/980829989.db2.gz HGMNJPBRZGERCZ-CQSZACIVSA-N 0 1 399.329 3.135 20 0 GGADMN CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cccc(C(=O)[O-])n1 ZINC000902320863 980830800 /nfs/dbraw/zinc/83/08/00/980830800.db2.gz GLVCMGKTBVNTBW-UHFFFAOYSA-N 0 1 379.254 3.443 20 0 GGADMN O=C([O-])C[NH+]1CCC(N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000902344333 980842703 /nfs/dbraw/zinc/84/27/03/980842703.db2.gz XXILGDIXWDOKKT-QGZVFWFLSA-N 0 1 385.277 3.178 20 0 GGADMN O=C([O-])CN1CCC([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000902344333 980842712 /nfs/dbraw/zinc/84/27/12/980842712.db2.gz XXILGDIXWDOKKT-QGZVFWFLSA-N 0 1 385.277 3.178 20 0 GGADMN O=C([O-])C[NH+]1CCC(N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000902344325 980843020 /nfs/dbraw/zinc/84/30/20/980843020.db2.gz XXILGDIXWDOKKT-KRWDZBQOSA-N 0 1 385.277 3.178 20 0 GGADMN O=C([O-])CN1CCC([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000902344325 980843024 /nfs/dbraw/zinc/84/30/24/980843024.db2.gz XXILGDIXWDOKKT-KRWDZBQOSA-N 0 1 385.277 3.178 20 0 GGADMN CCc1oc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1C(=O)[O-] ZINC000902365832 980855126 /nfs/dbraw/zinc/85/51/26/980855126.db2.gz GPJKAQDWSARZLN-HNNXBMFYSA-N 0 1 380.803 3.228 20 0 GGADMN CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC001595375090 980891962 /nfs/dbraw/zinc/89/19/62/980891962.db2.gz PXBZCANHTLSJCY-ZDUSSCGKSA-N 0 1 376.453 3.011 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000902456152 980895805 /nfs/dbraw/zinc/89/58/05/980895805.db2.gz OAEHCYQYORGHGD-WWMYMODYSA-N 0 1 375.513 3.144 20 0 GGADMN COc1ccc(Br)cc1C1([NH2+]Cc2cccc(C(=O)[O-])n2)CC1 ZINC000902463286 980899865 /nfs/dbraw/zinc/89/98/65/980899865.db2.gz LQGAJVKDOVDYFL-UHFFFAOYSA-N 0 1 377.238 3.330 20 0 GGADMN C[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000902521481 980918697 /nfs/dbraw/zinc/91/86/97/980918697.db2.gz PYVMNYFEGYUZLG-MJGOQNOKSA-N 0 1 391.489 3.432 20 0 GGADMN C[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000902521481 980918700 /nfs/dbraw/zinc/91/87/00/980918700.db2.gz PYVMNYFEGYUZLG-MJGOQNOKSA-N 0 1 391.489 3.432 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000902534865 980926335 /nfs/dbraw/zinc/92/63/35/980926335.db2.gz GLMQRZDKYVQWCS-ACRUOGEOSA-N 0 1 383.492 3.469 20 0 GGADMN O=C([O-])C[NH+]1CCC(NCc2cc(Br)c3ccccc3c2)CC1 ZINC000902552789 980930561 /nfs/dbraw/zinc/93/05/61/980930561.db2.gz VNLXMDFGOPVNLJ-UHFFFAOYSA-N 0 1 377.282 3.241 20 0 GGADMN O=C([O-])CN1CCC([NH2+]Cc2cc(Br)c3ccccc3c2)CC1 ZINC000902552789 980930566 /nfs/dbraw/zinc/93/05/66/980930566.db2.gz VNLXMDFGOPVNLJ-UHFFFAOYSA-N 0 1 377.282 3.241 20 0 GGADMN CC[C@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001595392205 980950855 /nfs/dbraw/zinc/95/08/55/980950855.db2.gz ASCSWRYCAHXYFD-NRFANRHFSA-N 0 1 389.448 3.302 20 0 GGADMN O=C([O-])C[N@H+](Cc1cccc(Br)c1)C[C@H]1CCC2(CCOCC2)O1 ZINC000903604165 980985903 /nfs/dbraw/zinc/98/59/03/980985903.db2.gz QKRZNNGREKQGBT-MRXNPFEDSA-N 0 1 398.297 3.064 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C[C@H]1c1ccc(Cl)cc1 ZINC000903608788 980990094 /nfs/dbraw/zinc/99/00/94/980990094.db2.gz MBJHKLYZLSNGDW-FGTMMUONSA-N 0 1 379.884 3.168 20 0 GGADMN CC(C)C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)CC(C)(C)C(=O)[O-] ZINC000903621630 980998127 /nfs/dbraw/zinc/99/81/27/980998127.db2.gz CQVNTMFZANQDAS-HXUWFJFHSA-N 0 1 376.541 3.346 20 0 GGADMN CCCCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC000903623271 980999340 /nfs/dbraw/zinc/99/93/40/980999340.db2.gz NTDBMLSYMUUZGG-QGZVFWFLSA-N 0 1 386.286 3.040 20 0 GGADMN CCCCCOc1ccc(Br)cc1C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC000903623271 980999343 /nfs/dbraw/zinc/99/93/43/980999343.db2.gz NTDBMLSYMUUZGG-QGZVFWFLSA-N 0 1 386.286 3.040 20 0 GGADMN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC000903623754 980999977 /nfs/dbraw/zinc/99/99/77/980999977.db2.gz RGSAWGGTSRTGGK-MRXNPFEDSA-N 0 1 386.395 3.159 20 0 GGADMN O=C([O-])[C@@]1(O)CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000903624051 981000463 /nfs/dbraw/zinc/00/04/63/981000463.db2.gz WKJUBTNLAMCKNF-OAQYLSRUSA-N 0 1 375.415 3.398 20 0 GGADMN C[N@@H+](CCc1ccc2c(c1)OCO2)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000903625946 981002029 /nfs/dbraw/zinc/00/20/29/981002029.db2.gz VQWRAFNDIWBGSQ-QGZVFWFLSA-N 0 1 392.249 3.478 20 0 GGADMN Cn1ccc([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3Br)C2)n1 ZINC000903631363 981008246 /nfs/dbraw/zinc/00/82/46/981008246.db2.gz RDOSFMFIBIXXFF-LRDDRELGSA-N 0 1 378.270 3.188 20 0 GGADMN CC(C)Cn1ncnc1C[NH+]1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000903635050 981009794 /nfs/dbraw/zinc/00/97/94/981009794.db2.gz BFJNHQOBNXWUKY-UHFFFAOYSA-N 0 1 381.480 3.493 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](CCCCOc3ccc(Br)cc3)C[C@H]1COCC2 ZINC000903903656 981030100 /nfs/dbraw/zinc/03/01/00/981030100.db2.gz FHBPYFMZFNNAMK-KBXCAEBGSA-N 0 1 398.297 3.031 20 0 GGADMN CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595415847 981030552 /nfs/dbraw/zinc/03/05/52/981030552.db2.gz MDORJTMVPSEEMP-PWSUYJOCSA-N 0 1 382.482 3.133 20 0 GGADMN CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595415952 981030844 /nfs/dbraw/zinc/03/08/44/981030844.db2.gz NXSSGSUCXKUGNV-PWSUYJOCSA-N 0 1 382.482 3.133 20 0 GGADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595415954 981030950 /nfs/dbraw/zinc/03/09/50/981030950.db2.gz NXSSGSUCXKUGNV-ZYHUDNBSSA-N 0 1 382.482 3.133 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c(Br)cc1C(=O)[O-] ZINC000903907264 981031777 /nfs/dbraw/zinc/03/17/77/981031777.db2.gz KBCDLQPECNFDRT-HNNXBMFYSA-N 0 1 386.286 3.403 20 0 GGADMN O=C([O-])[C@@]1(O)CC[N@@H+]([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912376 981034963 /nfs/dbraw/zinc/03/49/63/981034963.db2.gz AUUPWDCKXNPJFB-SJLPKXTDSA-N 0 1 394.240 3.199 20 0 GGADMN O=C([O-])[C@@]1(O)CC[N@H+]([C@@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912376 981034967 /nfs/dbraw/zinc/03/49/67/981034967.db2.gz AUUPWDCKXNPJFB-SJLPKXTDSA-N 0 1 394.240 3.199 20 0 GGADMN O=C([O-])[C@]1(O)CC[N@@H+]([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912377 981035128 /nfs/dbraw/zinc/03/51/28/981035128.db2.gz AUUPWDCKXNPJFB-WMZOPIPTSA-N 0 1 394.240 3.199 20 0 GGADMN O=C([O-])[C@]1(O)CC[N@H+]([C@H](c2ccc(F)cc2)c2ccc(Br)cc2)C1 ZINC000903912377 981035131 /nfs/dbraw/zinc/03/51/31/981035131.db2.gz AUUPWDCKXNPJFB-WMZOPIPTSA-N 0 1 394.240 3.199 20 0 GGADMN Cn1ccc([C@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3Br)C2)n1 ZINC000903914114 981035761 /nfs/dbraw/zinc/03/57/61/981035761.db2.gz DEJAHCNMQIBNEK-ZDUSSCGKSA-N 0 1 378.270 3.260 20 0 GGADMN CCC1CCC([N@@H+](C)CC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)CC1 ZINC001595420747 981038032 /nfs/dbraw/zinc/03/80/32/981038032.db2.gz YIYNSWCEPHEIJH-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@@H+](CCOc3ccccc3Br)C2)s1 ZINC000903923834 981040296 /nfs/dbraw/zinc/04/02/96/981040296.db2.gz COEIPCONBLAJEI-NSHDSACASA-N 0 1 397.294 3.472 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000903924042 981040321 /nfs/dbraw/zinc/04/03/21/981040321.db2.gz HEKXLSNEJKEINM-DGCLKSJQSA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000903924041 981040834 /nfs/dbraw/zinc/04/08/34/981040834.db2.gz HEKXLSNEJKEINM-AAEUAGOBSA-N 0 1 386.395 3.383 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@H](c4ncc(C(=O)[O-])s4)C3)co2)cc1 ZINC000903926403 981044977 /nfs/dbraw/zinc/04/49/77/981044977.db2.gz CBSGDUAQFMISKT-ZDUSSCGKSA-N 0 1 385.445 3.494 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000903927213 981045701 /nfs/dbraw/zinc/04/57/01/981045701.db2.gz ISZBPPWWGIMXII-WBVHZDCISA-N 0 1 392.249 3.003 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000903931521 981052209 /nfs/dbraw/zinc/05/22/09/981052209.db2.gz VAWSNDVJIXRKGP-YJBOKZPZSA-N 0 1 395.377 3.129 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000903931519 981052485 /nfs/dbraw/zinc/05/24/85/981052485.db2.gz VAWSNDVJIXRKGP-MAUKXSAKSA-N 0 1 395.377 3.129 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903941636 981063584 /nfs/dbraw/zinc/06/35/84/981063584.db2.gz RHDUZDFUJZSOAK-ZMYBRWDISA-N 0 1 389.883 3.370 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)[C@H]([C@H]2CCCO2)C1 ZINC000903941634 981063786 /nfs/dbraw/zinc/06/37/86/981063786.db2.gz RHDUZDFUJZSOAK-MDASCCDHSA-N 0 1 389.883 3.370 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)[C@H]([C@H]2CCCO2)C1 ZINC000903942346 981065412 /nfs/dbraw/zinc/06/54/12/981065412.db2.gz WOFSKSPSNKCQNI-PWBULWKKSA-N 0 1 388.291 3.371 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942344 981065666 /nfs/dbraw/zinc/06/56/66/981065666.db2.gz WOFSKSPSNKCQNI-JKEMJCCQSA-N 0 1 388.291 3.371 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000903963328 981079165 /nfs/dbraw/zinc/07/91/65/981079165.db2.gz XEKOVLJAAGBJKR-CZXPBSPDSA-N 0 1 386.414 3.120 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000903963328 981079166 /nfs/dbraw/zinc/07/91/66/981079166.db2.gz XEKOVLJAAGBJKR-CZXPBSPDSA-N 0 1 386.414 3.120 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C[C@H]1C1CC1 ZINC000904430638 981085234 /nfs/dbraw/zinc/08/52/34/981085234.db2.gz RRSSTUGPSHNLCM-QWHCGFSZSA-N 0 1 381.263 3.117 20 0 GGADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595444070 981085306 /nfs/dbraw/zinc/08/53/06/981085306.db2.gz IGHQDMCWWSXUAE-QWHCGFSZSA-N 0 1 396.509 3.380 20 0 GGADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595444071 981085609 /nfs/dbraw/zinc/08/56/09/981085609.db2.gz IGHQDMCWWSXUAE-STQMWFEESA-N 0 1 396.509 3.380 20 0 GGADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595444680 981090240 /nfs/dbraw/zinc/09/02/40/981090240.db2.gz UIRULXHWENNLAL-QWHCGFSZSA-N 0 1 396.509 3.380 20 0 GGADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445257 981091978 /nfs/dbraw/zinc/09/19/78/981091978.db2.gz XVMKKAGAVMGZHF-CXAGYDPISA-N 0 1 376.453 3.011 20 0 GGADMN C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905373001 981096166 /nfs/dbraw/zinc/09/61/66/981096166.db2.gz TWQHDPXCFGVFSB-IRXDYDNUSA-N 0 1 378.266 3.110 20 0 GGADMN C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905373002 981096419 /nfs/dbraw/zinc/09/64/19/981096419.db2.gz TWQHDPXCFGVFSB-SJORKVTESA-N 0 1 378.266 3.110 20 0 GGADMN C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905373000 981096725 /nfs/dbraw/zinc/09/67/25/981096725.db2.gz TWQHDPXCFGVFSB-IAGOWNOFSA-N 0 1 378.266 3.110 20 0 GGADMN CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595448031 981097080 /nfs/dbraw/zinc/09/70/80/981097080.db2.gz KTTAXLLDVDLHJY-GFCCVEGCSA-N 0 1 382.482 3.134 20 0 GGADMN C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377396 981100131 /nfs/dbraw/zinc/10/01/31/981100131.db2.gz SDJKAXUHFODRGE-JKSUJKDBSA-N 0 1 398.297 3.092 20 0 GGADMN Cc1cc(C)cc([C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(=O)[O-])c1 ZINC000905389474 981108829 /nfs/dbraw/zinc/10/88/29/981108829.db2.gz XAICAJPOLJHMOH-VXKWHMMOSA-N 0 1 382.504 3.310 20 0 GGADMN Cc1cc(C)cc([C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(=O)[O-])c1 ZINC000905389474 981108831 /nfs/dbraw/zinc/10/88/31/981108831.db2.gz XAICAJPOLJHMOH-VXKWHMMOSA-N 0 1 382.504 3.310 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595451963 981111298 /nfs/dbraw/zinc/11/12/98/981111298.db2.gz WHKNUGSCSMRJGS-LBPRGKRZSA-N 0 1 382.482 3.134 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1 ZINC001595452873 981116665 /nfs/dbraw/zinc/11/66/65/981116665.db2.gz GFGZPGGDNVJQCD-CBGDNZLLSA-N 0 1 379.545 3.173 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001595453406 981119016 /nfs/dbraw/zinc/11/90/16/981119016.db2.gz PTZUUGGLRVBZIM-MRXNPFEDSA-N 0 1 387.524 3.353 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001595453853 981121916 /nfs/dbraw/zinc/12/19/16/981121916.db2.gz YVBKGEHFBFAKQZ-DLBZAZTESA-N 0 1 391.560 3.042 20 0 GGADMN Cn1c(C[N@@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)nc2ccc(Cl)cc21 ZINC000905739673 981132770 /nfs/dbraw/zinc/13/27/70/981132770.db2.gz NIBYGIXTFAXTCI-JTQLQIEISA-N 0 1 376.869 3.371 20 0 GGADMN Cn1c(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)nc2ccc(Cl)cc21 ZINC000905739673 981132772 /nfs/dbraw/zinc/13/27/72/981132772.db2.gz NIBYGIXTFAXTCI-JTQLQIEISA-N 0 1 376.869 3.371 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775259 981149190 /nfs/dbraw/zinc/14/91/90/981149190.db2.gz LNJSCGPPKMDOQH-GXTWGEPZSA-N 0 1 395.381 3.337 20 0 GGADMN CC(C)(CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000907557240 981188837 /nfs/dbraw/zinc/18/88/37/981188837.db2.gz CLKUZGSWTBJQQI-RDPSFJRHSA-N 0 1 392.499 3.198 20 0 GGADMN Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000907616574 981201334 /nfs/dbraw/zinc/20/13/34/981201334.db2.gz JEGHUPSVHXZXOL-BHIFYINESA-N 0 1 392.499 3.144 20 0 GGADMN 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O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000909464500 981501685 /nfs/dbraw/zinc/50/16/85/981501685.db2.gz LTVHBTWJBWJOPB-HXUWFJFHSA-N 0 1 384.451 3.237 20 0 GGADMN O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000909464500 981501690 /nfs/dbraw/zinc/50/16/90/981501690.db2.gz LTVHBTWJBWJOPB-HXUWFJFHSA-N 0 1 384.451 3.237 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000909490929 981508770 /nfs/dbraw/zinc/50/87/70/981508770.db2.gz MMZCYVRJPAOWCL-WOJBJXKFSA-N 0 1 386.536 3.291 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001595580454 981517705 /nfs/dbraw/zinc/51/77/05/981517705.db2.gz HMEJNVLTLTZCBY-HRPDOCRFSA-N 0 1 388.508 3.180 20 0 GGADMN Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000909512858 981519751 /nfs/dbraw/zinc/51/97/51/981519751.db2.gz KPHUPORUUWLRPH-HXUWFJFHSA-N 0 1 382.460 3.138 20 0 GGADMN 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O=C([O-])[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000909702274 981575616 /nfs/dbraw/zinc/57/56/16/981575616.db2.gz GWNZJDUEUSXCNR-WOJBJXKFSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000909702727 981576304 /nfs/dbraw/zinc/57/63/04/981576304.db2.gz IKRNYYCJCPBCQM-UYAOXDASSA-N 0 1 384.451 3.022 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000909702725 981576328 /nfs/dbraw/zinc/57/63/28/981576328.db2.gz IKRNYYCJCPBCQM-ICSRJNTNSA-N 0 1 384.451 3.022 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000909732150 981585375 /nfs/dbraw/zinc/58/53/75/981585375.db2.gz IQGTVYXVMABLRP-HUUCEWRRSA-N 0 1 398.459 3.255 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1cccc(Br)c1 ZINC000909755097 981590641 /nfs/dbraw/zinc/59/06/41/981590641.db2.gz APFLDBIWUBFSQL-BZUAXINKSA-N 0 1 395.297 3.098 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001594740654 981604446 /nfs/dbraw/zinc/60/44/46/981604446.db2.gz PVADHKFPCRLANH-SFTDATJTSA-N 0 1 395.503 3.186 20 0 GGADMN CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000909784117 981619328 /nfs/dbraw/zinc/61/93/28/981619328.db2.gz HMTNHNYKSYPTPB-LJQANCHMSA-N 0 1 396.487 3.068 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000909789665 981626623 /nfs/dbraw/zinc/62/66/23/981626623.db2.gz LNHHFBUZZSHCAE-FXAWDEMLSA-N 0 1 396.487 3.239 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000909790942 981628365 /nfs/dbraw/zinc/62/83/65/981628365.db2.gz SIPNTCNBHHZIFJ-DYESRHJHSA-N 0 1 396.487 3.382 20 0 GGADMN O=C([O-])c1csc(-c2cccc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)c2)n1 ZINC000909808635 981635593 /nfs/dbraw/zinc/63/55/93/981635593.db2.gz KUHZELLOPWSIAU-NVXWUHKLSA-N 0 1 385.489 3.141 20 0 GGADMN O=C([O-])c1csc(-c2cccc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)c2)n1 ZINC000909808634 981635716 /nfs/dbraw/zinc/63/57/16/981635716.db2.gz KUHZELLOPWSIAU-DOTOQJQBSA-N 0 1 385.489 3.141 20 0 GGADMN CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)CC2)CC1 ZINC000909833760 981651412 /nfs/dbraw/zinc/65/14/12/981651412.db2.gz KACRBCFLXQYNLV-INIZCTEOSA-N 0 1 387.524 3.010 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000909836589 981657202 /nfs/dbraw/zinc/65/72/02/981657202.db2.gz OJDJGOVJLUEBBQ-VSKRKVRLSA-N 0 1 392.499 3.368 20 0 GGADMN CC[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001594753261 981658557 /nfs/dbraw/zinc/65/85/57/981658557.db2.gz MHIIHOINLAIBHB-ZIAGYGMSSA-N 0 1 394.821 3.492 20 0 GGADMN CC[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001594753261 981658561 /nfs/dbraw/zinc/65/85/61/981658561.db2.gz MHIIHOINLAIBHB-ZIAGYGMSSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000909838313 981659266 /nfs/dbraw/zinc/65/92/66/981659266.db2.gz BGQKWCFUWHWAMS-FOIQADDNSA-N 0 1 382.460 3.011 20 0 GGADMN CC[C@](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC000909844782 981668567 /nfs/dbraw/zinc/66/85/67/981668567.db2.gz GDVMRAXDXPDRRY-HSZRJFAPSA-N 0 1 395.503 3.155 20 0 GGADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595619983 981684083 /nfs/dbraw/zinc/68/40/83/981684083.db2.gz SSNUZUZEOXFYQO-CXAGYDPISA-N 0 1 376.453 3.011 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000909862940 981687041 /nfs/dbraw/zinc/68/70/41/981687041.db2.gz RJJXWTXOXVFIJL-QPPBQGQZSA-N 0 1 392.499 3.296 20 0 GGADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001594769675 981731815 /nfs/dbraw/zinc/73/18/15/981731815.db2.gz CKBDFUVZXZVRLS-DZGCQCFKSA-N 0 1 386.286 3.302 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001594769678 981732489 /nfs/dbraw/zinc/73/24/89/981732489.db2.gz CKBDFUVZXZVRLS-ZFWWWQNUSA-N 0 1 386.286 3.302 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001595624895 981739978 /nfs/dbraw/zinc/73/99/78/981739978.db2.gz IRQCIIULCYVHEP-XUVXKRRUSA-N 0 1 387.524 3.326 20 0 GGADMN CCC[C@H]1CN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC[N@H+]1Cc1ccccc1 ZINC001595625047 981742262 /nfs/dbraw/zinc/74/22/62/981742262.db2.gz NMGBWSGFHOSYSX-SFHVURJKSA-N 0 1 383.492 3.456 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cncc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001595625158 981744815 /nfs/dbraw/zinc/74/48/15/981744815.db2.gz QSVKFQLMHGKYLF-LJQANCHMSA-N 0 1 382.464 3.298 20 0 GGADMN CCC[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC[N@H+]1CCOC ZINC001595625308 981746290 /nfs/dbraw/zinc/74/62/90/981746290.db2.gz RYEXWYXJZXMGMP-MRXNPFEDSA-N 0 1 388.430 3.336 20 0 GGADMN CCC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC001595625340 981746298 /nfs/dbraw/zinc/74/62/98/981746298.db2.gz SUDRCFFKHJMJNV-SJORKVTESA-N 0 1 388.430 3.264 20 0 GGADMN CCC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC001595625340 981746301 /nfs/dbraw/zinc/74/63/01/981746301.db2.gz SUDRCFFKHJMJNV-SJORKVTESA-N 0 1 388.430 3.264 20 0 GGADMN CCC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC[N@H+]1CCOC ZINC001595625340 981746305 /nfs/dbraw/zinc/74/63/05/981746305.db2.gz SUDRCFFKHJMJNV-SJORKVTESA-N 0 1 388.430 3.264 20 0 GGADMN O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000910073179 981753538 /nfs/dbraw/zinc/75/35/38/981753538.db2.gz XVNCQMHYDNGUNT-SFHVURJKSA-N 0 1 396.462 3.321 20 0 GGADMN Cc1c(NC(=O)Cn2cc[nH+]c2C(C)C)cc(Br)cc1C(=O)[O-] ZINC000910079671 981754406 /nfs/dbraw/zinc/75/44/06/981754406.db2.gz BZYLZOLIXROBGE-UHFFFAOYSA-N 0 1 380.242 3.414 20 0 GGADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910101069 981759892 /nfs/dbraw/zinc/75/98/92/981759892.db2.gz XUHHFKRCUHHEMB-HKBOAZHASA-N 0 1 378.472 3.325 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1)CC(C)(C)C ZINC000910161939 981769475 /nfs/dbraw/zinc/76/94/75/981769475.db2.gz BANSWHHPONXTPG-UHFFFAOYSA-N 0 1 389.315 3.029 20 0 GGADMN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)CC1CC1 ZINC001594777777 981770051 /nfs/dbraw/zinc/77/00/51/981770051.db2.gz DKADQFPOCLCTJO-GOSISDBHSA-N 0 1 377.466 3.307 20 0 GGADMN O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000910194206 981778360 /nfs/dbraw/zinc/77/83/60/981778360.db2.gz ZCOASUUQAQNVHG-FQEVSTJZSA-N 0 1 384.451 3.124 20 0 GGADMN O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000910194206 981778363 /nfs/dbraw/zinc/77/83/63/981778363.db2.gz ZCOASUUQAQNVHG-FQEVSTJZSA-N 0 1 384.451 3.124 20 0 GGADMN O=C([O-])Cc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000910196132 981780282 /nfs/dbraw/zinc/78/02/82/981780282.db2.gz MHAWQRWZOHMRDM-IBGZPJMESA-N 0 1 395.503 3.437 20 0 GGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001595628784 981791031 /nfs/dbraw/zinc/79/10/31/981791031.db2.gz MBZWGCGJKBDZFI-JHJVBQTASA-N 0 1 382.423 3.407 20 0 GGADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001595628785 981791199 /nfs/dbraw/zinc/79/11/99/981791199.db2.gz MBZWGCGJKBDZFI-RWMBFGLXSA-N 0 1 382.423 3.407 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1F)C(=O)[O-] ZINC000910226747 981791819 /nfs/dbraw/zinc/79/18/19/981791819.db2.gz BHPDQRHGPXTPIA-KBPBESRZSA-N 0 1 386.423 3.063 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1F)C(=O)[O-] ZINC000910226747 981791826 /nfs/dbraw/zinc/79/18/26/981791826.db2.gz BHPDQRHGPXTPIA-KBPBESRZSA-N 0 1 386.423 3.063 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](C(=O)[O-])C3CCCCC3)CC2)cs1 ZINC000910229714 981793390 /nfs/dbraw/zinc/79/33/90/981793390.db2.gz FOACCQFWLSOBRN-GOSISDBHSA-N 0 1 393.553 3.061 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000910230780 981794870 /nfs/dbraw/zinc/79/48/70/981794870.db2.gz MBQQMJSGXNZYPT-RTWAWAEBSA-N 0 1 386.536 3.338 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F)C(=O)[O-] ZINC000910234140 981798326 /nfs/dbraw/zinc/79/83/26/981798326.db2.gz RPDBHTKOSJMKHJ-ZBFHGGJFSA-N 0 1 386.423 3.138 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F)C(=O)[O-] ZINC000910234136 981798404 /nfs/dbraw/zinc/79/84/04/981798404.db2.gz RPDBHTKOSJMKHJ-GOEBONIOSA-N 0 1 386.423 3.138 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000910235568 981800805 /nfs/dbraw/zinc/80/08/05/981800805.db2.gz IQWZVFFTMBFQNQ-RTBURBONSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000910235568 981800814 /nfs/dbraw/zinc/80/08/14/981800814.db2.gz IQWZVFFTMBFQNQ-RTBURBONSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000910235565 981801317 /nfs/dbraw/zinc/80/13/17/981801317.db2.gz IQWZVFFTMBFQNQ-MOPGFXCFSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000910235565 981801326 /nfs/dbraw/zinc/80/13/26/981801326.db2.gz IQWZVFFTMBFQNQ-MOPGFXCFSA-N 0 1 376.472 3.187 20 0 GGADMN COc1cc(OC)cc([C@@H](Nc2ccc(C(=O)[O-])c(C)[nH+]2)c2nccn2C)c1 ZINC000910277205 981839529 /nfs/dbraw/zinc/83/95/29/981839529.db2.gz TUKUCPVJGSMJIY-GOSISDBHSA-N 0 1 382.420 3.040 20 0 GGADMN Cc1cc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)oc1C(=O)[O-] ZINC000910303054 981860750 /nfs/dbraw/zinc/86/07/50/981860750.db2.gz LUUZMYROGHDGLO-OAHLLOKOSA-N 0 1 385.464 3.409 20 0 GGADMN C[N@@H+](CCC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C1CCCCC1 ZINC000910311636 981867189 /nfs/dbraw/zinc/86/71/89/981867189.db2.gz BRFKQYOVCZAZLL-HXUWFJFHSA-N 0 1 380.916 3.497 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc21 ZINC000910471205 981950417 /nfs/dbraw/zinc/95/04/17/981950417.db2.gz AGBIXUWHHUTIPD-HBGVWJBISA-N 0 1 396.462 3.467 20 0 GGADMN CCCC[C@H]([NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001595640552 981962992 /nfs/dbraw/zinc/96/29/92/981962992.db2.gz IYLYYKJNYMXSHE-ZDUSSCGKSA-N 0 1 383.514 3.169 20 0 GGADMN C[C@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910511232 981977712 /nfs/dbraw/zinc/97/77/12/981977712.db2.gz AFONOWUOJFLOFA-AUSIDOKSSA-N 0 1 398.478 3.240 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567439 981993777 /nfs/dbraw/zinc/99/37/77/981993777.db2.gz LRQWMBOHPZNDRJ-HKUYNNGSSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCC1 ZINC000910567443 981993873 /nfs/dbraw/zinc/99/38/73/981993873.db2.gz LRQWMBOHPZNDRJ-PKOBYXMFSA-N 0 1 376.472 3.187 20 0 GGADMN O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000910579791 982000199 /nfs/dbraw/zinc/00/01/99/982000199.db2.gz LCZLGLNETXNCRK-ICSRJNTNSA-N 0 1 392.455 3.067 20 0 GGADMN CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001594834990 982026340 /nfs/dbraw/zinc/02/63/40/982026340.db2.gz CSIYCBBYQDUYHE-SIKLNZKXSA-N 0 1 386.467 3.396 20 0 GGADMN CCCC[C@H](S[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC001595652805 982036641 /nfs/dbraw/zinc/03/66/41/982036641.db2.gz XYPYICBROLHNDN-JQHSSLGASA-N 0 1 378.538 3.142 20 0 GGADMN O=C([O-])CCc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000910645409 982037598 /nfs/dbraw/zinc/03/75/98/982037598.db2.gz ADPUKOCYWCQUTE-AWEZNQCLSA-N 0 1 391.468 3.150 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)CC2)c1 ZINC000910684012 982060690 /nfs/dbraw/zinc/06/06/90/982060690.db2.gz LYAACWYXQKFTPR-QGZVFWFLSA-N 0 1 388.508 3.326 20 0 GGADMN CC(C)c1sc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1C(=O)[O-] ZINC000910701928 982071762 /nfs/dbraw/zinc/07/17/62/982071762.db2.gz YNRRUGXPLGKVOG-CQSZACIVSA-N 0 1 388.493 3.210 20 0 GGADMN O=C([O-])c1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1Br ZINC000910704458 982074472 /nfs/dbraw/zinc/07/44/72/982074472.db2.gz QXZBGRNHXBYUFP-HNNXBMFYSA-N 0 1 381.270 3.493 20 0 GGADMN CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910711538 982077576 /nfs/dbraw/zinc/07/75/76/982077576.db2.gz GOZQPEPCZDTFCP-OAHLLOKOSA-N 0 1 385.302 3.011 20 0 GGADMN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594859364 982129861 /nfs/dbraw/zinc/12/98/61/982129861.db2.gz PEMYUXIBNAMWNI-QFIPXVFZSA-N 0 1 385.460 3.335 20 0 GGADMN CC(C)(CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000910831464 982143497 /nfs/dbraw/zinc/14/34/97/982143497.db2.gz VZISLLCVEMMUMX-SFHVURJKSA-N 0 1 386.414 3.058 20 0 GGADMN CCCCC[C@H]([NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)C(=O)[O-] ZINC001595682949 982167974 /nfs/dbraw/zinc/16/79/74/982167974.db2.gz GMCORLQZOGQHPO-HNNXBMFYSA-N 0 1 381.473 3.132 20 0 GGADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC001594873280 982192883 /nfs/dbraw/zinc/19/28/83/982192883.db2.gz LPPVEMSUWSDECQ-KSYCFECVSA-N 0 1 398.297 3.137 20 0 GGADMN CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881074 982234130 /nfs/dbraw/zinc/23/41/30/982234130.db2.gz MFNSZWXDNFHTHX-JQWIXIFHSA-N 0 1 396.509 3.379 20 0 GGADMN CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CC1 ZINC001594881075 982234160 /nfs/dbraw/zinc/23/41/60/982234160.db2.gz MFNSZWXDNFHTHX-PWSUYJOCSA-N 0 1 396.509 3.379 20 0 GGADMN CCCCCC[C@@](O)(C[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001595696885 982234809 /nfs/dbraw/zinc/23/48/09/982234809.db2.gz FIQZYPYSGQZWDV-VYHPPPRESA-N 0 1 398.544 3.294 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595696909 982235892 /nfs/dbraw/zinc/23/58/92/982235892.db2.gz MEVDTYDYVCCLDX-YRNRMSPPSA-N 0 1 386.533 3.008 20 0 GGADMN O=C([O-])c1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cs1 ZINC000911107220 982242448 /nfs/dbraw/zinc/24/24/48/982242448.db2.gz JWSLMZHDNFBJFF-CQSZACIVSA-N 0 1 379.869 3.062 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1Cl ZINC000911110460 982244613 /nfs/dbraw/zinc/24/46/13/982244613.db2.gz ZSDHVPIXGVUGQS-DZIBYMRMSA-N 0 1 378.900 3.484 20 0 GGADMN CCCCCC[C@](O)(C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001595698794 982253717 /nfs/dbraw/zinc/25/37/17/982253717.db2.gz XBKCLEPTPLQSTD-DYVFJYSZSA-N 0 1 389.418 3.071 20 0 GGADMN O=C([O-])c1coc(/C=C/C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000911135197 982253910 /nfs/dbraw/zinc/25/39/10/982253910.db2.gz BIVMZFUZFGKFFV-VOTSOKGWSA-N 0 1 388.851 3.379 20 0 GGADMN O=C([O-])c1coc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000911135197 982253917 /nfs/dbraw/zinc/25/39/17/982253917.db2.gz BIVMZFUZFGKFFV-VOTSOKGWSA-N 0 1 388.851 3.379 20 0 GGADMN O=C([O-])c1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000911135936 982255597 /nfs/dbraw/zinc/25/55/97/982255597.db2.gz JTVIEJMHRJSJCL-UHFFFAOYSA-N 0 1 386.879 3.315 20 0 GGADMN O=C([O-])c1cccc(CC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000911135936 982255600 /nfs/dbraw/zinc/25/56/00/982255600.db2.gz JTVIEJMHRJSJCL-UHFFFAOYSA-N 0 1 386.879 3.315 20 0 GGADMN C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000911150173 982259342 /nfs/dbraw/zinc/25/93/42/982259342.db2.gz GBYIHPJRTYEVKI-CALCHBBNSA-N 0 1 396.487 3.281 20 0 GGADMN CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911165423 982264330 /nfs/dbraw/zinc/26/43/30/982264330.db2.gz JSDVERZSYIBOKA-OAQYLSRUSA-N 0 1 380.488 3.440 20 0 GGADMN CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000911167425 982265229 /nfs/dbraw/zinc/26/52/29/982265229.db2.gz SPLPWSYERLTMHA-KRWDZBQOSA-N 0 1 391.471 3.142 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000911177332 982268573 /nfs/dbraw/zinc/26/85/73/982268573.db2.gz RGCNDWZFUCXHJS-QGZVFWFLSA-N 0 1 398.507 3.052 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000911179993 982270625 /nfs/dbraw/zinc/27/06/25/982270625.db2.gz GPBDGBPYXJMNMQ-QGZVFWFLSA-N 0 1 380.488 3.476 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C(C)C)C(=O)[O-] ZINC001594887289 982271627 /nfs/dbraw/zinc/27/16/27/982271627.db2.gz MDECBKGAQDUJCF-DYVFJYSZSA-N 0 1 399.329 3.275 20 0 GGADMN CCN1CC[NH+](Cc2ccc(NC(=O)CCc3ccccc3C(=O)[O-])cc2)CC1 ZINC000911188141 982273250 /nfs/dbraw/zinc/27/32/50/982273250.db2.gz OLXMTLZDJSSJSD-UHFFFAOYSA-N 0 1 395.503 3.094 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000911190656 982275529 /nfs/dbraw/zinc/27/55/29/982275529.db2.gz IKIQFZUOHPVHCL-INIZCTEOSA-N 0 1 390.867 3.435 20 0 GGADMN O=C([O-])Cc1occc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000911189800 982275822 /nfs/dbraw/zinc/27/58/22/982275822.db2.gz APRUPROBPHUHPU-MRXNPFEDSA-N 0 1 376.840 3.127 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000911190136 982276153 /nfs/dbraw/zinc/27/61/53/982276153.db2.gz DROVAWKTFABDLQ-KSEUIEODSA-N 0 1 398.459 3.343 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)c(C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000911191892 982276738 /nfs/dbraw/zinc/27/67/38/982276738.db2.gz SAZLBKCVZBCJIO-MRXNPFEDSA-N 0 1 386.448 3.252 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C(=O)[O-] ZINC001594890435 982283951 /nfs/dbraw/zinc/28/39/51/982283951.db2.gz HCVWZYQFQYPIJV-FASAQXTFSA-N 0 1 382.451 3.164 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1)C(=O)[O-] ZINC001594889932 982284484 /nfs/dbraw/zinc/28/44/84/982284484.db2.gz GHKWDIAZVKVDGR-CXAGYDPISA-N 0 1 395.569 3.236 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC001594892218 982294226 /nfs/dbraw/zinc/29/42/26/982294226.db2.gz PAEJRQSLBCVZPD-HRAATJIYSA-N 0 1 390.524 3.269 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000911226454 982298617 /nfs/dbraw/zinc/29/86/17/982298617.db2.gz HXDCVHROXQYVBV-UHFFFAOYSA-N 0 1 392.377 3.197 20 0 GGADMN CCCN(C(=O)c1ccoc1CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000911226911 982299515 /nfs/dbraw/zinc/29/95/15/982299515.db2.gz FXUDFRNJMRCWLL-SFHVURJKSA-N 0 1 384.476 3.424 20 0 GGADMN C[N@@H+](Cc1ccccc1CNC(=O)CCSCC(=O)[O-])C1CCCCC1 ZINC000911249534 982312903 /nfs/dbraw/zinc/31/29/03/982312903.db2.gz MJCPEBJRKBWKKH-UHFFFAOYSA-N 0 1 378.538 3.275 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000911252014 982314508 /nfs/dbraw/zinc/31/45/08/982314508.db2.gz HQTQDSWZWIYLKW-UHFFFAOYSA-N 0 1 379.460 3.108 20 0 GGADMN CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000911253096 982316054 /nfs/dbraw/zinc/31/60/54/982316054.db2.gz OGTVICFATXODPB-MJGOQNOKSA-N 0 1 398.507 3.046 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)Cc1ccccc1 ZINC001595716184 982320215 /nfs/dbraw/zinc/32/02/15/982320215.db2.gz QYPIZQWIPFHMDX-PKOBYXMFSA-N 0 1 375.513 3.183 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1F ZINC000911261597 982320852 /nfs/dbraw/zinc/32/08/52/982320852.db2.gz MRDDMFOHPOQKSF-UHFFFAOYSA-N 0 1 385.439 3.361 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000911263954 982321624 /nfs/dbraw/zinc/32/16/24/982321624.db2.gz ZGDCZXGMQOVCBO-IYBDPMFKSA-N 0 1 385.508 3.212 20 0 GGADMN O=C([O-])c1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000911326261 982350529 /nfs/dbraw/zinc/35/05/29/982350529.db2.gz AWRXLFMTOAJPGT-UHFFFAOYSA-N 0 1 384.451 3.305 20 0 GGADMN O=C([O-])Cc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000911328301 982352871 /nfs/dbraw/zinc/35/28/71/982352871.db2.gz RXVZOKYPFRNEOU-UHFFFAOYSA-N 0 1 380.488 3.094 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)s1 ZINC001595727710 982353835 /nfs/dbraw/zinc/35/38/35/982353835.db2.gz IJGBQQQRIJBRDF-QLFBSQMISA-N 0 1 394.541 3.175 20 0 GGADMN CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)s1 ZINC001595727710 982353842 /nfs/dbraw/zinc/35/38/42/982353842.db2.gz IJGBQQQRIJBRDF-QLFBSQMISA-N 0 1 394.541 3.175 20 0 GGADMN CC[N@@H+](CCNC(=O)c1ccccc1SCc1occc1C(=O)[O-])C1CC1 ZINC000911329990 982354054 /nfs/dbraw/zinc/35/40/54/982354054.db2.gz AVTQPOVHQNRVNN-UHFFFAOYSA-N 0 1 388.489 3.484 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)NCCc2cccc(C(=O)[O-])c2)CC1 ZINC001595733705 982370877 /nfs/dbraw/zinc/37/08/77/982370877.db2.gz FXQJPQQMXQPRDS-UHFFFAOYSA-N 0 1 375.513 3.081 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595734143 982374388 /nfs/dbraw/zinc/37/43/88/982374388.db2.gz NRIIFLWRAFSFOE-UHFFFAOYSA-N 0 1 386.452 3.426 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001595734568 982374952 /nfs/dbraw/zinc/37/49/52/982374952.db2.gz TVYAAWZYDNVHHF-UHFFFAOYSA-N 0 1 385.508 3.493 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001595734562 982375124 /nfs/dbraw/zinc/37/51/24/982375124.db2.gz SNAPPMWMYRJWIK-UHFFFAOYSA-N 0 1 391.390 3.179 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)CC1 ZINC001595734616 982375786 /nfs/dbraw/zinc/37/57/86/982375786.db2.gz WHYPSYPCXPQWES-UHFFFAOYSA-N 0 1 382.892 3.409 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000911363809 982380523 /nfs/dbraw/zinc/38/05/23/982380523.db2.gz HTGRSIDOYZDVLU-DYESRHJHSA-N 0 1 380.488 3.439 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001595736961 982386421 /nfs/dbraw/zinc/38/64/21/982386421.db2.gz HDGBJRXUBKDGEJ-NSHDSACASA-N 0 1 398.891 3.239 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000911368749 982387013 /nfs/dbraw/zinc/38/70/13/982387013.db2.gz DVUVQJFBJUYEMZ-OAHLLOKOSA-N 0 1 385.508 3.425 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000911373106 982391199 /nfs/dbraw/zinc/39/11/99/982391199.db2.gz UCYIMKTYXBTVQM-QGZVFWFLSA-N 0 1 390.524 3.397 20 0 GGADMN CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001595737342 982393823 /nfs/dbraw/zinc/39/38/23/982393823.db2.gz XEDQLDWLKPIPFN-SNVBAGLBSA-N 0 1 397.324 3.090 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)[O-] ZINC001594908298 982397496 /nfs/dbraw/zinc/39/74/96/982397496.db2.gz FBEFSACXZMZSHR-VFNWGFHPSA-N 0 1 385.508 3.023 20 0 GGADMN O=C([O-])c1coc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000911383835 982404623 /nfs/dbraw/zinc/40/46/23/982404623.db2.gz WOTRKTFRBXRVFX-AWEZNQCLSA-N 0 1 382.338 3.001 20 0 GGADMN O=C([O-])c1coc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000911383835 982404630 /nfs/dbraw/zinc/40/46/30/982404630.db2.gz WOTRKTFRBXRVFX-AWEZNQCLSA-N 0 1 382.338 3.001 20 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O=C([O-])C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccncc1 ZINC000911662685 982592425 /nfs/dbraw/zinc/59/24/25/982592425.db2.gz JMPGBSJQDPOPIA-IEBWSBKVSA-N 0 1 396.491 3.220 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C(=O)[O-])oc3C)C2)s1 ZINC000911741238 982623201 /nfs/dbraw/zinc/62/32/01/982623201.db2.gz HUIQSRLUNRSCAF-AWEZNQCLSA-N 0 1 376.478 3.250 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000914778418 982659042 /nfs/dbraw/zinc/65/90/42/982659042.db2.gz PIJTZJSQFLYMSM-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000914778418 982659046 /nfs/dbraw/zinc/65/90/46/982659046.db2.gz PIJTZJSQFLYMSM-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2)C[C@@H](C)O1 ZINC000914779021 982659210 /nfs/dbraw/zinc/65/92/10/982659210.db2.gz WSTCIKTTZMVELP-ZIAGYGMSSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2)C[C@H](C)O1 ZINC000914779020 982659307 /nfs/dbraw/zinc/65/93/07/982659307.db2.gz WSTCIKTTZMVELP-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2)C[C@H](C)O1 ZINC000914779020 982659313 /nfs/dbraw/zinc/65/93/13/982659313.db2.gz WSTCIKTTZMVELP-OKILXGFUSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000914778416 982659469 /nfs/dbraw/zinc/65/94/69/982659469.db2.gz PIJTZJSQFLYMSM-KBPBESRZSA-N 0 1 386.423 3.385 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000914861642 982661314 /nfs/dbraw/zinc/66/13/14/982661314.db2.gz CRMLYDFMWIBKFI-IAGOWNOFSA-N 0 1 396.487 3.266 20 0 GGADMN CCCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001595820147 982684840 /nfs/dbraw/zinc/68/48/40/982684840.db2.gz CKIRTQTXLYGYFP-MHJFOBGBSA-N 0 1 387.524 3.326 20 0 GGADMN CCCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)[C@@H]1CC[N@@H+](C)C1 ZINC001595823311 982697700 /nfs/dbraw/zinc/69/77/00/982697700.db2.gz TYEFYLQSVASKEK-OAHLLOKOSA-N 0 1 385.464 3.251 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)C1 ZINC001595834698 982734032 /nfs/dbraw/zinc/73/40/32/982734032.db2.gz BQNQFKYXYYVKJC-MRXNPFEDSA-N 0 1 399.495 3.075 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)C1 ZINC001595834697 982734681 /nfs/dbraw/zinc/73/46/81/982734681.db2.gz BQNQFKYXYYVKJC-INIZCTEOSA-N 0 1 399.495 3.075 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC001595835509 982738182 /nfs/dbraw/zinc/73/81/82/982738182.db2.gz PBZSCBVCKHEJPT-GFCCVEGCSA-N 0 1 398.301 3.343 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595836652 982743633 /nfs/dbraw/zinc/74/36/33/982743633.db2.gz HCYUFVXXKWMDCE-KBRIMQKVSA-N 0 1 381.904 3.085 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001595837062 982746403 /nfs/dbraw/zinc/74/64/03/982746403.db2.gz SJZOSHKTKHCNSD-GOSISDBHSA-N 0 1 389.883 3.175 20 0 GGADMN CC[C@H](C)[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)CC(=O)[O-] ZINC001594983715 982787374 /nfs/dbraw/zinc/78/73/74/982787374.db2.gz KPJYXGDCYGVTDI-INIZCTEOSA-N 0 1 382.460 3.431 20 0 GGADMN CC[C@H](C)[N@@H+](CCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594983839 982790026 /nfs/dbraw/zinc/79/00/26/982790026.db2.gz QDBCGLTUOVFEID-NSHDSACASA-N 0 1 386.279 3.470 20 0 GGADMN CC[C@@H](C)[N@@H+](CCO)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594983838 982790245 /nfs/dbraw/zinc/79/02/45/982790245.db2.gz QDBCGLTUOVFEID-LLVKDONJSA-N 0 1 386.279 3.470 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)C[NH2+][C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595862603 982797340 /nfs/dbraw/zinc/79/73/40/982797340.db2.gz APAIYBSFWBTWAJ-SCLBCKFNSA-N 0 1 386.414 3.254 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595862815 982799989 /nfs/dbraw/zinc/79/99/89/982799989.db2.gz MFUZCMRXHBLXEE-KRWDZBQOSA-N 0 1 382.382 3.356 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001595862783 982800948 /nfs/dbraw/zinc/80/09/48/982800948.db2.gz LJFLYWQICCIKBH-CYBMUJFWSA-N 0 1 390.402 3.299 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCCC1 ZINC000923172868 982820737 /nfs/dbraw/zinc/82/07/37/982820737.db2.gz DNHPSTLBYHTEMA-VQTJNVASSA-N 0 1 387.524 3.081 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])no2)[C@@H]2CCCC[C@@H]12 ZINC001594988027 982831048 /nfs/dbraw/zinc/83/10/48/982831048.db2.gz VRCHDFMJFLGUHJ-VLGRORTASA-N 0 1 377.485 3.057 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC(C(=O)[O-])=C(C)O2)[C@H]2CCCC[C@H]12 ZINC001594988098 982832205 /nfs/dbraw/zinc/83/22/05/982832205.db2.gz XAOWHDBAMHONET-LUSZFXIXSA-N 0 1 392.540 3.318 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001595867784 982839318 /nfs/dbraw/zinc/83/93/18/982839318.db2.gz YJYJEIPIFFDPGR-SFHVURJKSA-N 0 1 386.414 3.398 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595867738 982839770 /nfs/dbraw/zinc/83/97/70/982839770.db2.gz WXWQYHPOULHAGI-OAHLLOKOSA-N 0 1 387.484 3.121 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001595869040 982845817 /nfs/dbraw/zinc/84/58/17/982845817.db2.gz MJSNYRXSMJAEQK-UHFFFAOYSA-N 0 1 391.493 3.472 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001595869189 982845839 /nfs/dbraw/zinc/84/58/39/982845839.db2.gz NWLCVZFPNSFKEE-JOCHJYFZSA-N 0 1 383.492 3.433 20 0 GGADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001595869198 982846007 /nfs/dbraw/zinc/84/60/07/982846007.db2.gz OFHRVIOGVIOENB-JOCHJYFZSA-N 0 1 383.492 3.433 20 0 GGADMN CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C(=O)[O-])C2CC2)n1 ZINC000923269748 982853655 /nfs/dbraw/zinc/85/36/55/982853655.db2.gz RNZAHEXUFKVBQD-SCVLELKCSA-N 0 1 378.538 3.204 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923527391 982855616 /nfs/dbraw/zinc/85/56/16/982855616.db2.gz FBIFXXMLJXEICM-RYGJVYDSSA-N 0 1 385.508 3.047 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532404 982865674 /nfs/dbraw/zinc/86/56/74/982865674.db2.gz RTNQOZHPQAKUDQ-XOKHGSTOSA-N 0 1 391.537 3.240 20 0 GGADMN CCC[N@H+](CCOc1cccc(C(=O)[O-])c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001595884426 982906723 /nfs/dbraw/zinc/90/67/23/982906723.db2.gz XLSUOPOTMISPDL-UHFFFAOYSA-N 0 1 387.461 3.386 20 0 GGADMN CCC[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1nc2ccsc2c(=O)[nH]1 ZINC001595884426 982906726 /nfs/dbraw/zinc/90/67/26/982906726.db2.gz XLSUOPOTMISPDL-UHFFFAOYSA-N 0 1 387.461 3.386 20 0 GGADMN CCC[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC001595885751 982908784 /nfs/dbraw/zinc/90/87/84/982908784.db2.gz DYZCMYAICASYTD-QGZVFWFLSA-N 0 1 387.480 3.027 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC001595886037 982913121 /nfs/dbraw/zinc/91/31/21/982913121.db2.gz TUDQZSZHXNXTKX-CQSZACIVSA-N 0 1 377.462 3.044 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC001595886037 982913124 /nfs/dbraw/zinc/91/31/24/982913124.db2.gz TUDQZSZHXNXTKX-CQSZACIVSA-N 0 1 377.462 3.044 20 0 GGADMN CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595890810 982922322 /nfs/dbraw/zinc/92/23/22/982922322.db2.gz FJYALQAUVYVNLH-FZMZJTMJSA-N 0 1 385.798 3.167 20 0 GGADMN CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595890810 982922325 /nfs/dbraw/zinc/92/23/25/982922325.db2.gz FJYALQAUVYVNLH-FZMZJTMJSA-N 0 1 385.798 3.167 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC001118229744 982946157 /nfs/dbraw/zinc/94/61/57/982946157.db2.gz IJFDCUMSYOKJBT-QGZVFWFLSA-N 0 1 399.516 3.337 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@H](O)c1ccccc1Br ZINC001118262947 982949867 /nfs/dbraw/zinc/94/98/67/982949867.db2.gz VPGBCNZEOPMRON-KRWDZBQOSA-N 0 1 394.265 3.078 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cc1cncs1)C(=O)[O-] ZINC001595013920 982950222 /nfs/dbraw/zinc/95/02/22/982950222.db2.gz NZWPQCPNDPEDSK-DCGLDWPTSA-N 0 1 375.494 3.269 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595014196 982950352 /nfs/dbraw/zinc/95/03/52/982950352.db2.gz PGNOVQJEPVBEFG-HRCADAONSA-N 0 1 399.495 3.154 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595014196 982950356 /nfs/dbraw/zinc/95/03/56/982950356.db2.gz PGNOVQJEPVBEFG-HRCADAONSA-N 0 1 399.495 3.154 20 0 GGADMN CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001595904214 982973414 /nfs/dbraw/zinc/97/34/14/982973414.db2.gz YZOKVQAVDPICNQ-NSHDSACASA-N 0 1 384.274 3.001 20 0 GGADMN CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)C1 ZINC001595908613 982991933 /nfs/dbraw/zinc/99/19/33/982991933.db2.gz XVCUAFDIQGDHHX-JTQLQIEISA-N 0 1 387.249 3.347 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001595909053 982994009 /nfs/dbraw/zinc/99/40/09/982994009.db2.gz BQVSYNZREWSYGE-ZWKOTPCHSA-N 0 1 389.544 3.111 20 0 GGADMN CCC[N@H+]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001595912160 983004824 /nfs/dbraw/zinc/00/48/24/983004824.db2.gz IUJUTMCWELFZLT-ROUUACIJSA-N 0 1 389.544 3.111 20 0 GGADMN C[N@H+](CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])Cc1ccccc1 ZINC001119639880 983009640 /nfs/dbraw/zinc/00/96/40/983009640.db2.gz GKICRCKPOWOLBG-NRFANRHFSA-N 0 1 390.483 3.331 20 0 GGADMN C[N@@H+](CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])Cc1ccccc1 ZINC001119639880 983009649 /nfs/dbraw/zinc/00/96/49/983009649.db2.gz GKICRCKPOWOLBG-NRFANRHFSA-N 0 1 390.483 3.331 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCC1 ZINC001121899731 983036600 /nfs/dbraw/zinc/03/66/00/983036600.db2.gz GBWLXTIQSLZIPG-LJQANCHMSA-N 0 1 387.524 3.328 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCC1 ZINC001121899730 983036733 /nfs/dbraw/zinc/03/67/33/983036733.db2.gz GBWLXTIQSLZIPG-IBGZPJMESA-N 0 1 387.524 3.328 20 0 GGADMN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC001595966761 983174526 /nfs/dbraw/zinc/17/45/26/983174526.db2.gz RNBJCIGBGGWTSE-LEWJYISDSA-N 0 1 390.524 3.304 20 0 GGADMN CCCc1c(C(=O)N2CC[NH+](CCc3cccs3)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596032097 983307158 /nfs/dbraw/zinc/30/71/58/983307158.db2.gz JGJRMDUDDQRTSA-UHFFFAOYSA-N 0 1 389.521 3.036 20 0 GGADMN CCCc1c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596037815 983323232 /nfs/dbraw/zinc/32/32/32/983323232.db2.gz PNNGHFXYNUUNLZ-KRWDZBQOSA-N 0 1 383.492 3.226 20 0 GGADMN CCCc1ccc(-c2csc(NC(=O)C[NH2+][C@@](C)(CCF)C(=O)[O-])n2)cc1 ZINC001596058300 983365014 /nfs/dbraw/zinc/36/50/14/983365014.db2.gz IWHSOFWRMFRMSM-IBGZPJMESA-N 0 1 393.484 3.494 20 0 GGADMN CCCc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC001596063131 983374395 /nfs/dbraw/zinc/37/43/95/983374395.db2.gz RDBQHQOFQJIWRG-MRXNPFEDSA-N 0 1 394.537 3.454 20 0 GGADMN CCN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596148837 983505589 /nfs/dbraw/zinc/50/55/89/983505589.db2.gz DISHGXBHYMNQFU-IBGZPJMESA-N 0 1 387.524 3.328 20 0 GGADMN CCN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001596149300 983507431 /nfs/dbraw/zinc/50/74/31/983507431.db2.gz QRQWFRBJEUAIMQ-GSEOLPGOSA-N 0 1 387.524 3.497 20 0 GGADMN CCN(C(=O)Nc1cc(C(=O)[O-])ccn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001596151394 983512279 /nfs/dbraw/zinc/51/22/79/983512279.db2.gz WKGQHQCXUPLLDR-MAUKXSAKSA-N 0 1 382.464 3.469 20 0 GGADMN CCN(C(=O)Nc1cccc(CC(=O)[O-])n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001596157694 983518868 /nfs/dbraw/zinc/51/88/68/983518868.db2.gz DGKCMQXRHLXGQR-QFBILLFUSA-N 0 1 396.491 3.398 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C1 ZINC001596193084 983573012 /nfs/dbraw/zinc/57/30/12/983573012.db2.gz KVVAODAKIJAZIN-GFCCVEGCSA-N 0 1 398.301 3.261 20 0 GGADMN CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001596193097 983573165 /nfs/dbraw/zinc/57/31/65/983573165.db2.gz LEYNZFMOABNNKO-UHFFFAOYSA-N 0 1 377.391 3.436 20 0 GGADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC001596201922 983586888 /nfs/dbraw/zinc/58/68/88/983586888.db2.gz KYJBRVXODFFPLA-KKSFZXQISA-N 0 1 396.487 3.116 20 0 GGADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC001596201921 983586999 /nfs/dbraw/zinc/58/69/99/983586999.db2.gz KYJBRVXODFFPLA-IIBYNOLFSA-N 0 1 396.487 3.116 20 0 GGADMN CC[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1cccc(Cl)c1 ZINC001596201980 983587529 /nfs/dbraw/zinc/58/75/29/983587529.db2.gz OQJJXXOUQAEAGD-LJQANCHMSA-N 0 1 386.879 3.200 20 0 GGADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1cccc(Cl)c1 ZINC001596201980 983587531 /nfs/dbraw/zinc/58/75/31/983587531.db2.gz OQJJXXOUQAEAGD-LJQANCHMSA-N 0 1 386.879 3.200 20 0 GGADMN CC[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C(C)(C)C(=O)[O-] ZINC001596209356 983599964 /nfs/dbraw/zinc/59/99/64/983599964.db2.gz GOTUBWPQGCQIPU-UHFFFAOYSA-N 0 1 387.505 3.498 20 0 GGADMN CC[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C(C)(C)C(=O)[O-] ZINC001596209356 983599967 /nfs/dbraw/zinc/59/99/67/983599967.db2.gz GOTUBWPQGCQIPU-UHFFFAOYSA-N 0 1 387.505 3.498 20 0 GGADMN CC[N@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1ccc2ccccc2c1 ZINC001596209739 983601512 /nfs/dbraw/zinc/60/15/12/983601512.db2.gz RCQCEQNEJWSRCU-UHFFFAOYSA-N 0 1 383.473 3.384 20 0 GGADMN CC[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1ccc2ccccc2c1 ZINC001596209739 983601513 /nfs/dbraw/zinc/60/15/13/983601513.db2.gz RCQCEQNEJWSRCU-UHFFFAOYSA-N 0 1 383.473 3.384 20 0 GGADMN CC[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)[C@H]1CCCC[C@H]1C ZINC001596213055 983604669 /nfs/dbraw/zinc/60/46/69/983604669.db2.gz ZJBHBJIWRHVCTM-YPMHNXCESA-N 0 1 396.509 3.380 20 0 GGADMN CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596228080 983619077 /nfs/dbraw/zinc/61/90/77/983619077.db2.gz CWGYDWUQXGODSW-GOSISDBHSA-N 0 1 383.492 3.109 20 0 GGADMN CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001596228081 983619148 /nfs/dbraw/zinc/61/91/48/983619148.db2.gz CWGYDWUQXGODSW-SFHVURJKSA-N 0 1 383.492 3.109 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001596235223 983628588 /nfs/dbraw/zinc/62/85/88/983628588.db2.gz FTGCZSQNWINBEG-CQSZACIVSA-N 0 1 390.377 3.147 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001596236183 983630337 /nfs/dbraw/zinc/63/03/37/983630337.db2.gz QTYCSPNYQSSPCX-MNOVXSKESA-N 0 1 393.431 3.025 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001596236183 983630338 /nfs/dbraw/zinc/63/03/38/983630338.db2.gz QTYCSPNYQSSPCX-MNOVXSKESA-N 0 1 393.431 3.025 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001596236182 983630354 /nfs/dbraw/zinc/63/03/54/983630354.db2.gz QTYCSPNYQSSPCX-GHMZBOCLSA-N 0 1 393.431 3.025 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001596236182 983630355 /nfs/dbraw/zinc/63/03/55/983630355.db2.gz QTYCSPNYQSSPCX-GHMZBOCLSA-N 0 1 393.431 3.025 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001596236457 983631224 /nfs/dbraw/zinc/63/12/24/983631224.db2.gz WTIYHWRUAYFNGF-ZDUSSCGKSA-N 0 1 390.377 3.147 20 0 GGADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC001596236490 983631576 /nfs/dbraw/zinc/63/15/76/983631576.db2.gz XYFOWEFTTQWHIM-HNNXBMFYSA-N 0 1 386.414 3.316 20 0 GGADMN CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C(C)(C)C(=O)[O-] ZINC001596237841 983637554 /nfs/dbraw/zinc/63/75/54/983637554.db2.gz SMDIXVXOWDEXJM-LLVKDONJSA-N 0 1 394.693 3.027 20 0 GGADMN CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001596249876 983653104 /nfs/dbraw/zinc/65/31/04/983653104.db2.gz BMDUQAKFGUMCTK-INIZCTEOSA-N 0 1 391.512 3.356 20 0 GGADMN CC[NH+](CC)[C@H](C(=O)Nc1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001596254019 983660325 /nfs/dbraw/zinc/66/03/25/983660325.db2.gz XDNVISGKVSNUSE-AWEZNQCLSA-N 0 1 385.342 3.413 20 0 GGADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccsc1 ZINC001596255609 983665794 /nfs/dbraw/zinc/66/57/94/983665794.db2.gz FSFYLCXZVJJKRY-INIZCTEOSA-N 0 1 396.534 3.116 20 0 GGADMN CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC001596264095 983680850 /nfs/dbraw/zinc/68/08/50/983680850.db2.gz ZTPDJGATVBBSDO-INIZCTEOSA-N 0 1 375.513 3.074 20 0 GGADMN CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001596276558 983696525 /nfs/dbraw/zinc/69/65/25/983696525.db2.gz LQIBFNKLLYOXPR-UHFFFAOYSA-N 0 1 380.441 3.167 20 0 GGADMN CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001596292070 983711567 /nfs/dbraw/zinc/71/15/67/983711567.db2.gz CSAAPTJQFYRWAZ-FQEVSTJZSA-N 0 1 379.460 3.244 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001596299009 983722723 /nfs/dbraw/zinc/72/27/23/983722723.db2.gz YIOFGLCJDUQVMK-QGZVFWFLSA-N 0 1 382.464 3.156 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1)CC(C)C ZINC001596320898 983752394 /nfs/dbraw/zinc/75/23/94/983752394.db2.gz RTMQGKIBHFMDQV-UHFFFAOYSA-N 0 1 376.501 3.392 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1)CC(C)C ZINC001596320919 983752450 /nfs/dbraw/zinc/75/24/50/983752450.db2.gz UGUKWRNUSFXQBY-LQWHRVPQSA-N 0 1 379.545 3.029 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])CC1)CC1CC1 ZINC001596320944 983753177 /nfs/dbraw/zinc/75/31/77/983753177.db2.gz VCQZMPWMCRZOPM-UHFFFAOYSA-N 0 1 376.501 3.387 20 0 GGADMN CCN(CCC[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)CC(F)(F)F ZINC001596326963 983761270 /nfs/dbraw/zinc/76/12/70/983761270.db2.gz NWLOEXHWOJKAOX-OAHLLOKOSA-N 0 1 387.446 3.170 20 0 GGADMN CC[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC001596345738 983794390 /nfs/dbraw/zinc/79/43/90/983794390.db2.gz RTIZFRHLCNTWGS-NTEUORMPSA-N 0 1 396.487 3.387 20 0 GGADMN CC[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001596359597 983835096 /nfs/dbraw/zinc/83/50/96/983835096.db2.gz KVVMINCDJSRGHX-HXUWFJFHSA-N 0 1 378.472 3.430 20 0 GGADMN CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596362763 983841873 /nfs/dbraw/zinc/84/18/73/983841873.db2.gz OAEBCDVYLKRGNV-CQSZACIVSA-N 0 1 384.432 3.271 20 0 GGADMN CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596362763 983841883 /nfs/dbraw/zinc/84/18/83/983841883.db2.gz OAEBCDVYLKRGNV-CQSZACIVSA-N 0 1 384.432 3.271 20 0 GGADMN CC[N@H+](Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1)C[C@H]1CCOC1 ZINC001596363317 983844240 /nfs/dbraw/zinc/84/42/40/983844240.db2.gz YPQQHZLMHYNVOL-MRXNPFEDSA-N 0 1 389.448 3.424 20 0 GGADMN CCN1C[C@H](C[N@@H+](C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)Oc2ccccc21 ZINC001596396053 983939201 /nfs/dbraw/zinc/93/92/01/983939201.db2.gz MUSXGILXNCBRGX-APWZRJJASA-N 0 1 384.476 3.258 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)C[C@@H]1C ZINC001596396090 983940129 /nfs/dbraw/zinc/94/01/29/983940129.db2.gz NPHJOVVZCRPDOC-WDEREUQCSA-N 0 1 398.301 3.402 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)C[C@H]1C ZINC001596396586 983942350 /nfs/dbraw/zinc/94/23/50/983942350.db2.gz VFEHVDJYSHDBHF-NEPJUHHUSA-N 0 1 398.301 3.402 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)[C@H](C)C1 ZINC001596402851 983957911 /nfs/dbraw/zinc/95/79/11/983957911.db2.gz BDYHPHDJIKVYJO-PBHICJAKSA-N 0 1 377.485 3.366 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)C[C@@H]1C ZINC001596402891 983958518 /nfs/dbraw/zinc/95/85/18/983958518.db2.gz CEXBVRDZGNUGET-JSGCOSHPSA-N 0 1 399.438 3.365 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)[C@@H](C)C1 ZINC001596404172 983971987 /nfs/dbraw/zinc/97/19/87/983971987.db2.gz SBDUATUCSQGHLL-SWLSCSKDSA-N 0 1 399.438 3.223 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)[C@@H](C)C1 ZINC001596404173 983972123 /nfs/dbraw/zinc/97/21/23/983972123.db2.gz SBDUATUCSQGHLL-WFASDCNBSA-N 0 1 399.438 3.223 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@@H]1C ZINC001596404396 983973472 /nfs/dbraw/zinc/97/34/72/983973472.db2.gz VHQUPKURGVWHCK-XHDPSFHLSA-N 0 1 383.286 3.092 20 0 GGADMN CCN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC001596408524 983984231 /nfs/dbraw/zinc/98/42/31/983984231.db2.gz NQCDJXMFHWNUIY-GFCCVEGCSA-N 0 1 384.274 3.095 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001596416243 984036246 /nfs/dbraw/zinc/03/62/46/984036246.db2.gz YWCCQUCSBDOVBO-OLZOCXBDSA-N 0 1 377.510 3.416 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccncc1 ZINC001596418746 984045979 /nfs/dbraw/zinc/04/59/79/984045979.db2.gz SVHLQLQIKMWZJL-GOSISDBHSA-N 0 1 382.508 3.472 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3C(=O)[O-])cc2F)CC1 ZINC001596438300 984127109 /nfs/dbraw/zinc/12/71/09/984127109.db2.gz FRTBPNWJZQKXRX-UHFFFAOYSA-N 0 1 385.439 3.227 20 0 GGADMN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001596551519 984413497 /nfs/dbraw/zinc/41/34/97/984413497.db2.gz INRIWRFLCVTAQT-UHFFFAOYSA-N 0 1 388.386 3.298 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001596551889 984414618 /nfs/dbraw/zinc/41/46/18/984414618.db2.gz KVNDQHIRUAXDSQ-PWYGHMFVSA-N 0 1 375.465 3.074 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001596552260 984416063 /nfs/dbraw/zinc/41/60/63/984416063.db2.gz NJFWRGYALAHSAI-CRAIPNDOSA-N 0 1 398.297 3.486 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001596552262 984416237 /nfs/dbraw/zinc/41/62/37/984416237.db2.gz NJFWRGYALAHSAI-QAPCUYQASA-N 0 1 398.297 3.486 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001596552263 984416246 /nfs/dbraw/zinc/41/62/46/984416246.db2.gz NJFWRGYALAHSAI-YJBOKZPZSA-N 0 1 398.297 3.486 20 0 GGADMN CCOC(=O)C1([N@H+](C)CCOc2ccc(/C=C\C(=O)[O-])cc2)CCCCC1 ZINC001596559990 984434616 /nfs/dbraw/zinc/43/46/16/984434616.db2.gz KGABZPVOHZTQEV-XFXZXTDPSA-N 0 1 375.465 3.361 20 0 GGADMN CCOC(=O)C1([N@@H+](C)CCOc2ccc(/C=C\C(=O)[O-])cc2)CCCCC1 ZINC001596559990 984434617 /nfs/dbraw/zinc/43/46/17/984434617.db2.gz KGABZPVOHZTQEV-XFXZXTDPSA-N 0 1 375.465 3.361 20 0 GGADMN CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001596602056 984561332 /nfs/dbraw/zinc/56/13/32/984561332.db2.gz RMACTJNYVNEGCA-AWEZNQCLSA-N 0 1 396.509 3.057 20 0 GGADMN CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001596602056 984561335 /nfs/dbraw/zinc/56/13/35/984561335.db2.gz RMACTJNYVNEGCA-AWEZNQCLSA-N 0 1 396.509 3.057 20 0 GGADMN CCOC(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC001596640940 984635384 /nfs/dbraw/zinc/63/53/84/984635384.db2.gz WJVFEMNVANMQAT-UHFFFAOYSA-N 0 1 399.285 3.200 20 0 GGADMN C/C(=C/C[N@@H+](Cc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588958648 984714643 /nfs/dbraw/zinc/71/46/43/984714643.db2.gz PFOCJNOLCZCLMH-PXNMLYILSA-N 0 1 389.496 3.314 20 0 GGADMN C/C(=C/C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588961162 984735415 /nfs/dbraw/zinc/73/54/15/984735415.db2.gz JKLANJQWWPKQIG-LUXXUUORSA-N 0 1 378.444 3.149 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)[O-] ZINC001599899072 984790516 /nfs/dbraw/zinc/79/05/16/984790516.db2.gz RAIBGMILIRTEMA-UWVGGRQHSA-N 0 1 385.247 3.321 20 0 GGADMN CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001596690971 984799375 /nfs/dbraw/zinc/79/93/75/984799375.db2.gz AWSHNCHROJKUQF-HNNXBMFYSA-N 0 1 388.464 3.109 20 0 GGADMN C[C@H]([NH2+][C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC001599901137 984827515 /nfs/dbraw/zinc/82/75/15/984827515.db2.gz SUXLZHSYCFTDDX-QFYYESIMSA-N 0 1 385.844 3.359 20 0 GGADMN CCOC(=O)c1cc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)[nH]c1C ZINC001596704186 984902254 /nfs/dbraw/zinc/90/22/54/984902254.db2.gz VOHFLUVAQFGJPS-LBPRGKRZSA-N 0 1 377.466 3.034 20 0 GGADMN C[C@H]1CC[C@@]([NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)(C(=O)[O-])CC1 ZINC001599907590 984943271 /nfs/dbraw/zinc/94/32/71/984943271.db2.gz IEVBHKSLEFTCPF-UJYYRWPFSA-N 0 1 398.385 3.143 20 0 GGADMN CCOC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001596730267 984993701 /nfs/dbraw/zinc/99/37/01/984993701.db2.gz BWGVYLXLQKWLHZ-INIZCTEOSA-N 0 1 398.459 3.025 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[C@H]1C(=O)[O-] ZINC001599918312 985092035 /nfs/dbraw/zinc/09/20/35/985092035.db2.gz LHTDVWNCYGWFFI-QXAKKESOSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC001599919003 985103202 /nfs/dbraw/zinc/10/32/02/985103202.db2.gz SFCVMYWUNPOCHB-DFQSSKMNSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC001599919005 985103426 /nfs/dbraw/zinc/10/34/26/985103426.db2.gz SFCVMYWUNPOCHB-YSIASYRMSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@]1(C)C(=O)[O-] ZINC001599919180 985105660 /nfs/dbraw/zinc/10/56/60/985105660.db2.gz HWLAMPLUGZLELB-KPLVRAHFSA-N 0 1 387.524 3.041 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])c(CC)o3)C2)nc1C ZINC001596756405 985136389 /nfs/dbraw/zinc/13/63/89/985136389.db2.gz SVBYMNFFIGCTBM-LBPRGKRZSA-N 0 1 392.477 3.471 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](C[C@H]3CCCC[C@@H]3C(=O)[O-])C2)nc1C ZINC001596756651 985137225 /nfs/dbraw/zinc/13/72/25/985137225.db2.gz XTXYNJUDKAVZGM-KFWWJZLASA-N 0 1 380.510 3.309 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1)C1CC1 ZINC001589053585 985147553 /nfs/dbraw/zinc/14/75/53/985147553.db2.gz BCVPLRSLFYJTKL-YESZJQIVSA-N 0 1 377.510 3.124 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@]1(C)C(=O)[O-] ZINC001599927239 985223329 /nfs/dbraw/zinc/22/33/29/985223329.db2.gz FFYDAAUKIMRLGC-BTYIYWSLSA-N 0 1 399.516 3.355 20 0 GGADMN CC(=O)N1CCC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001589073153 985224657 /nfs/dbraw/zinc/22/46/57/985224657.db2.gz ZIGKAIKHAMXJPZ-UHFFFAOYSA-N 0 1 382.460 3.018 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001599927521 985230424 /nfs/dbraw/zinc/23/04/24/985230424.db2.gz AIXXQORENVUXBD-HJPURHCSSA-N 0 1 378.472 3.493 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@]1(C)C(=O)[O-] ZINC001599928022 985243453 /nfs/dbraw/zinc/24/34/53/985243453.db2.gz PWNHYGCYGFBSJR-OXTHUFEASA-N 0 1 378.488 3.462 20 0 GGADMN CC(=O)N1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CC12CCCCC2 ZINC001589081028 985246804 /nfs/dbraw/zinc/24/68/04/985246804.db2.gz GDJLWYMEURVXLH-JXMROGBWSA-N 0 1 386.492 3.030 20 0 GGADMN CC(=O)N1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)CC12CCCCC2 ZINC001589085597 985259101 /nfs/dbraw/zinc/25/91/01/985259101.db2.gz YIGQTOLKAUNEHF-UHFFFAOYSA-N 0 1 381.476 3.300 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)CC(C)(C)CC(=O)[O-])cc2)C[C@H](C)O1 ZINC001599929484 985282427 /nfs/dbraw/zinc/28/24/27/985282427.db2.gz WYKLRWAEQTZCEN-CALCHBBNSA-N 0 1 390.524 3.145 20 0 GGADMN C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC001599930099 985298057 /nfs/dbraw/zinc/29/80/57/985298057.db2.gz SGQLUDKOUPVPHN-BETUJISGSA-N 0 1 391.493 3.172 20 0 GGADMN C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC001599930099 985298064 /nfs/dbraw/zinc/29/80/64/985298064.db2.gz SGQLUDKOUPVPHN-BETUJISGSA-N 0 1 391.493 3.172 20 0 GGADMN CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811165 985361490 /nfs/dbraw/zinc/36/14/90/985361490.db2.gz ONQHWRIYKHDUJK-UONOGXRCSA-N 0 1 380.510 3.281 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C12CCC2 ZINC001596811165 985361500 /nfs/dbraw/zinc/36/15/00/985361500.db2.gz ONQHWRIYKHDUJK-UONOGXRCSA-N 0 1 380.510 3.281 20 0 GGADMN CC(=O)NC1CCC([N@@H+](C)Cc2c(Br)cccc2C(=O)[O-])CC1 ZINC001589117748 985372100 /nfs/dbraw/zinc/37/21/00/985372100.db2.gz DQEFWTFWVFEGRR-UHFFFAOYSA-N 0 1 383.286 3.026 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001589139783 985446823 /nfs/dbraw/zinc/44/68/23/985446823.db2.gz GSENEXISQYMZCH-UHFFFAOYSA-N 0 1 386.517 3.311 20 0 GGADMN CCO[C@@H]1C[C@]([NH2+]CC(=O)Nc2c(C)cccc2C(C)C)(C(=O)[O-])C1(C)C ZINC001596833916 985473012 /nfs/dbraw/zinc/47/30/12/985473012.db2.gz SCQSKIHYISADCZ-IERDGZPVSA-N 0 1 376.497 3.305 20 0 GGADMN C[C@@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594474124 985479106 /nfs/dbraw/zinc/47/91/06/985479106.db2.gz XKXKUFHZRRSJNS-MSOLQXFVSA-N 0 1 395.503 3.232 20 0 GGADMN CCO[C@H]1C[C@]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)(C(=O)[O-])C1(C)C ZINC001596834460 985479396 /nfs/dbraw/zinc/47/93/96/985479396.db2.gz ZUIGJXFHQYWQHV-KKSFZXQISA-N 0 1 376.497 3.171 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1C(=O)[O-] ZINC001599943904 985491341 /nfs/dbraw/zinc/49/13/41/985491341.db2.gz FXOIKFBXASKMNK-OAHLLOKOSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943983 985492391 /nfs/dbraw/zinc/49/23/91/985492391.db2.gz MYXWPLFPFIXEEO-HOCLYGCPSA-N 0 1 390.480 3.241 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c(C)c1C(=O)[O-] ZINC001599943983 985492395 /nfs/dbraw/zinc/49/23/95/985492395.db2.gz MYXWPLFPFIXEEO-HOCLYGCPSA-N 0 1 390.480 3.241 20 0 GGADMN CCO[C@@H]1C[C@@]([NH2+]Cc2nc3ccc(Br)cc3[nH]2)(C(=O)[O-])C1(C)C ZINC001596838496 985507094 /nfs/dbraw/zinc/50/70/94/985507094.db2.gz SRGGSISYZZKDOT-CXAGYDPISA-N 0 1 396.285 3.073 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945044 985511227 /nfs/dbraw/zinc/51/12/27/985511227.db2.gz MRNPPMHQIBIACN-ZIAGYGMSSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945044 985511229 /nfs/dbraw/zinc/51/12/29/985511229.db2.gz MRNPPMHQIBIACN-ZIAGYGMSSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945041 985511570 /nfs/dbraw/zinc/51/15/70/985511570.db2.gz MRNPPMHQIBIACN-UONOGXRCSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3nccs3)C2)c(C)c1C(=O)[O-] ZINC001599945041 985511575 /nfs/dbraw/zinc/51/15/75/985511575.db2.gz MRNPPMHQIBIACN-UONOGXRCSA-N 0 1 375.494 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(C)c1C(=O)[O-] ZINC001599945016 985511661 /nfs/dbraw/zinc/51/16/61/985511661.db2.gz MPVFBZCKKSRNLJ-JTQLQIEISA-N 0 1 376.350 3.267 20 0 GGADMN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001589166511 985514435 /nfs/dbraw/zinc/51/44/35/985514435.db2.gz JTIOZTBDAVOGBW-YVEFUNNKSA-N 0 1 376.844 3.027 20 0 GGADMN Cc1[nH]c(C(=O)C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599946707 985539749 /nfs/dbraw/zinc/53/97/49/985539749.db2.gz FDZXFEYTVJAWJC-MRXNPFEDSA-N 0 1 386.448 3.185 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001594485609 985557379 /nfs/dbraw/zinc/55/73/79/985557379.db2.gz FAAZYDILXOVBAO-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001594485609 985557387 /nfs/dbraw/zinc/55/73/87/985557387.db2.gz FAAZYDILXOVBAO-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001594485608 985557423 /nfs/dbraw/zinc/55/74/23/985557423.db2.gz FAAZYDILXOVBAO-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001594485608 985557429 /nfs/dbraw/zinc/55/74/29/985557429.db2.gz FAAZYDILXOVBAO-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC[N@H+]1CCC(=O)[O-] ZINC001594488531 985583466 /nfs/dbraw/zinc/58/34/66/985583466.db2.gz GIUXIDHPGWBOLE-HNNXBMFYSA-N 0 1 393.443 3.116 20 0 GGADMN Cc1[nH]c(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599949641 985586457 /nfs/dbraw/zinc/58/64/57/985586457.db2.gz MHAOWSUBPDNJDA-SFHVURJKSA-N 0 1 383.492 3.455 20 0 GGADMN C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC[N@H+]1CCC(=O)[O-] ZINC001594488922 985588725 /nfs/dbraw/zinc/58/87/25/985588725.db2.gz LRJJEAHTFOHBIG-LLVKDONJSA-N 0 1 381.885 3.018 20 0 GGADMN Cc1[nH]c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)c1C(=O)[O-] ZINC001599949939 985590995 /nfs/dbraw/zinc/59/09/95/985590995.db2.gz BDUDOMCVDIDYFN-JOCHJYFZSA-N 0 1 381.476 3.068 20 0 GGADMN Cc1[nH]c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(C)c1C(=O)[O-] ZINC001599950243 985595274 /nfs/dbraw/zinc/59/52/74/985595274.db2.gz GGLRZFZQZJYHTG-RRQGHBQHSA-N 0 1 383.492 3.453 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594490316 985602080 /nfs/dbraw/zinc/60/20/80/985602080.db2.gz ZXUXJDGITDHALR-AWEZNQCLSA-N 0 1 394.899 3.282 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594490317 985602298 /nfs/dbraw/zinc/60/22/98/985602298.db2.gz ZXUXJDGITDHALR-CQSZACIVSA-N 0 1 394.899 3.282 20 0 GGADMN CCOC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC001596855540 985609046 /nfs/dbraw/zinc/60/90/46/985609046.db2.gz RPZQUFZPBOEQRA-LBPRGKRZSA-N 0 1 380.510 3.011 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594493582 985616727 /nfs/dbraw/zinc/61/67/27/985616727.db2.gz DCCDQAICYOAIHL-ROUUACIJSA-N 0 1 380.488 3.439 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)cc(=O)oc2c1 ZINC001589204197 985658876 /nfs/dbraw/zinc/65/88/76/985658876.db2.gz NGIWHBMEFGUYII-FHWLQOOXSA-N 0 1 398.459 3.217 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001599954225 985659476 /nfs/dbraw/zinc/65/94/76/985659476.db2.gz CWEFELOOCWMRBB-SFHVURJKSA-N 0 1 383.492 3.312 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001599954261 985660889 /nfs/dbraw/zinc/66/08/89/985660889.db2.gz FLPUWDMFMYMLCR-QFIPXVFZSA-N 0 1 381.476 3.068 20 0 GGADMN CC(=O)Nc1ccc2c(c1)C[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)CC2 ZINC001589205661 985671071 /nfs/dbraw/zinc/67/10/71/985671071.db2.gz KFTNSIVCAANHIJ-RUDMXATFSA-N 0 1 380.444 3.180 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC001599955170 985676315 /nfs/dbraw/zinc/67/63/15/985676315.db2.gz BLOZWZPDRRDBLJ-RHSMWYFYSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC001599955170 985676317 /nfs/dbraw/zinc/67/63/17/985676317.db2.gz BLOZWZPDRRDBLJ-RHSMWYFYSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001599955750 985686664 /nfs/dbraw/zinc/68/66/64/985686664.db2.gz RZYRIQHUANZJAH-SFHVURJKSA-N 0 1 395.503 3.362 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC001599958774 985738180 /nfs/dbraw/zinc/73/81/80/985738180.db2.gz IMSCBAIXFNWRHN-QGZVFWFLSA-N 0 1 385.247 3.008 20 0 GGADMN C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Br)CC[N@H+](C2CCC2)C1 ZINC001594507995 985739398 /nfs/dbraw/zinc/73/93/98/985739398.db2.gz PJRZNYTZCIXBEX-GUYCJALGSA-N 0 1 381.314 3.381 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508165 985742601 /nfs/dbraw/zinc/74/26/01/985742601.db2.gz DYABYRZYHFDIRC-WBMYTEFPSA-N 0 1 379.325 3.433 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC001594508165 985742609 /nfs/dbraw/zinc/74/26/09/985742609.db2.gz DYABYRZYHFDIRC-WBMYTEFPSA-N 0 1 379.325 3.433 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001599959453 985754393 /nfs/dbraw/zinc/75/43/93/985754393.db2.gz NWMPDWLLHJGBHS-RXVVDRJESA-N 0 1 395.503 3.191 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001599960857 985778517 /nfs/dbraw/zinc/77/85/17/985778517.db2.gz OTYMZDBDNWBSBF-CQSZACIVSA-N 0 1 385.247 3.224 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001594513304 985795607 /nfs/dbraw/zinc/79/56/07/985795607.db2.gz IULKPNYCCFBDCU-INIZCTEOSA-N 0 1 392.927 3.450 20 0 GGADMN Cc1[nH]c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)cc1C(=O)[O-] ZINC001599961840 985797169 /nfs/dbraw/zinc/79/71/69/985797169.db2.gz JQJJJPCVSGZDLP-YDHLFZDLSA-N 0 1 379.501 3.393 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC001594514853 985857787 /nfs/dbraw/zinc/85/77/87/985857787.db2.gz CULHRHBGORSJQU-KBXCAEBGSA-N 0 1 379.476 3.103 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001594515371 985871447 /nfs/dbraw/zinc/87/14/47/985871447.db2.gz HLUPSCWWFIFYNS-GHTZIAJQSA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001594515936 985889563 /nfs/dbraw/zinc/88/95/63/985889563.db2.gz LFYYMQDZMNMMTO-KYJSFNMBSA-N 0 1 393.915 3.167 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001594516633 985911728 /nfs/dbraw/zinc/91/17/28/985911728.db2.gz ZGHYWYYTQMDKGZ-OAHLLOKOSA-N 0 1 380.916 3.306 20 0 GGADMN CCOCCC[N@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)C[C@@H](C)C(=O)[O-] ZINC001596914669 985931781 /nfs/dbraw/zinc/93/17/81/985931781.db2.gz FKYAHDWXACVLKW-CYBMUJFWSA-N 0 1 391.434 3.188 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCc1cccc(Oc2ccccc2)c1 ZINC001594519410 985952119 /nfs/dbraw/zinc/95/21/19/985952119.db2.gz UHXOHAGOTCHCND-QGZVFWFLSA-N 0 1 397.475 3.169 20 0 GGADMN C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC001594519493 985956596 /nfs/dbraw/zinc/95/65/96/985956596.db2.gz WZONRJHINGQFJP-NEPJUHHUSA-N 0 1 388.295 3.245 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC001594519619 985960923 /nfs/dbraw/zinc/96/09/23/985960923.db2.gz BDZWHXPHICZAFO-JTQLQIEISA-N 0 1 384.263 3.096 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC001594519646 985964009 /nfs/dbraw/zinc/96/40/09/985964009.db2.gz BRASVBLDZJJYDM-ZDUSSCGKSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC001594519646 985964015 /nfs/dbraw/zinc/96/40/15/985964015.db2.gz BRASVBLDZJJYDM-ZDUSSCGKSA-N 0 1 385.489 3.014 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001594519649 985964099 /nfs/dbraw/zinc/96/40/99/985964099.db2.gz BSEKZLIZSLUQGP-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001594519649 985964113 /nfs/dbraw/zinc/96/41/13/985964113.db2.gz BSEKZLIZSLUQGP-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001594520800 985984124 /nfs/dbraw/zinc/98/41/24/985984124.db2.gz ZJBRGOVMKCMQKV-JTQLQIEISA-N 0 1 384.263 3.096 20 0 GGADMN CCOCC[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001596924339 986000636 /nfs/dbraw/zinc/00/06/36/986000636.db2.gz TUGGRLDQUBMRPF-FQEVSTJZSA-N 0 1 382.460 3.349 20 0 GGADMN CCOCC[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001596924339 986000648 /nfs/dbraw/zinc/00/06/48/986000648.db2.gz TUGGRLDQUBMRPF-FQEVSTJZSA-N 0 1 382.460 3.349 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001594522209 986001033 /nfs/dbraw/zinc/00/10/33/986001033.db2.gz NHLOWMCUBMHEJF-AWEZNQCLSA-N 0 1 387.867 3.023 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001599970817 986002679 /nfs/dbraw/zinc/00/26/79/986002679.db2.gz YKTRABNUXWBSPF-AWEZNQCLSA-N 0 1 378.270 3.489 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001599970817 986002690 /nfs/dbraw/zinc/00/26/90/986002690.db2.gz YKTRABNUXWBSPF-AWEZNQCLSA-N 0 1 378.270 3.489 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001599970820 986002801 /nfs/dbraw/zinc/00/28/01/986002801.db2.gz YKTRABNUXWBSPF-CQSZACIVSA-N 0 1 378.270 3.489 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001599970820 986002814 /nfs/dbraw/zinc/00/28/14/986002814.db2.gz YKTRABNUXWBSPF-CQSZACIVSA-N 0 1 378.270 3.489 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1sccc1-c1ccc(F)cc1 ZINC001594522896 986018233 /nfs/dbraw/zinc/01/82/33/986018233.db2.gz XQSHNKAHJBITQY-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1sccc1-c1ccc(F)cc1 ZINC001594522896 986018247 /nfs/dbraw/zinc/01/82/47/986018247.db2.gz XQSHNKAHJBITQY-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1cccc(Cl)c1Br ZINC001594525949 986043024 /nfs/dbraw/zinc/04/30/24/986043024.db2.gz PECSODLJCYSQOM-NSHDSACASA-N 0 1 375.694 3.083 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001589299455 986053289 /nfs/dbraw/zinc/05/32/89/986053289.db2.gz IOMKRAPUJGTXGO-DJJJIMSYSA-N 0 1 394.427 3.248 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001589300600 986055195 /nfs/dbraw/zinc/05/51/95/986055195.db2.gz LMONVEKYEUKFJX-JSNMRZPZSA-N 0 1 380.444 3.016 20 0 GGADMN C[C@H]1C[N@@H+](CCCNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCO1 ZINC001594527424 986074240 /nfs/dbraw/zinc/07/42/40/986074240.db2.gz GKIYREGWOLOLID-ZDUSSCGKSA-N 0 1 391.493 3.222 20 0 GGADMN Cc1c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001599975113 986076353 /nfs/dbraw/zinc/07/63/53/986076353.db2.gz FRMKCPISJMHWBY-UHFFFAOYSA-N 0 1 378.432 3.083 20 0 GGADMN CCOCN(C(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1c(C)cccc1CC ZINC001596944991 986079290 /nfs/dbraw/zinc/07/92/90/986079290.db2.gz BGPZCZKIQNAQFD-SFHVURJKSA-N 0 1 390.524 3.461 20 0 GGADMN CCOCN(C(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1c(C)cccc1CC ZINC001596944989 986079680 /nfs/dbraw/zinc/07/96/80/986079680.db2.gz BGPZCZKIQNAQFD-GOSISDBHSA-N 0 1 390.524 3.461 20 0 GGADMN CCOCN(C(=O)C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1)c1c(C)cccc1CC ZINC001596945086 986081183 /nfs/dbraw/zinc/08/11/83/986081183.db2.gz DVTWOXRXKVZZJB-INIZCTEOSA-N 0 1 376.497 3.212 20 0 GGADMN CCOCN(C(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)c1c(C)cccc1CC ZINC001596945086 986081189 /nfs/dbraw/zinc/08/11/89/986081189.db2.gz DVTWOXRXKVZZJB-INIZCTEOSA-N 0 1 376.497 3.212 20 0 GGADMN CCOCN(C(=O)C[N@H+]([C@H](C)C(=O)[O-])C1CCC1)c1c(C)cccc1CC ZINC001596945090 986081279 /nfs/dbraw/zinc/08/12/79/986081279.db2.gz DVTWOXRXKVZZJB-MRXNPFEDSA-N 0 1 376.497 3.212 20 0 GGADMN CCOCN(C(=O)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1)c1c(C)cccc1CC ZINC001596945090 986081294 /nfs/dbraw/zinc/08/12/94/986081294.db2.gz DVTWOXRXKVZZJB-MRXNPFEDSA-N 0 1 376.497 3.212 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Oc3ccccc3CC(=O)[O-])cc2)C[C@H](C)O1 ZINC001594537348 986159973 /nfs/dbraw/zinc/15/99/73/986159973.db2.gz HHUSVSSAENPWIJ-HOTGVXAUSA-N 0 1 383.444 3.142 20 0 GGADMN Cc1c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001599981441 986168679 /nfs/dbraw/zinc/16/86/79/986168679.db2.gz JJQPMWKIEIMZGQ-UHFFFAOYSA-N 0 1 392.440 3.419 20 0 GGADMN C[C@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC001594539908 986172674 /nfs/dbraw/zinc/17/26/74/986172674.db2.gz VPIAHVJECMTRJN-HOTGVXAUSA-N 0 1 386.467 3.423 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594542068 986177638 /nfs/dbraw/zinc/17/76/38/986177638.db2.gz CDDWKGHQOQAXJR-SJLPKXTDSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2)C[C@H](C)O1 ZINC001594542159 986179769 /nfs/dbraw/zinc/17/97/69/986179769.db2.gz DZKQZRBGABUDRR-TUKZGULFSA-N 0 1 386.492 3.269 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001594542456 986185022 /nfs/dbraw/zinc/18/50/22/986185022.db2.gz NXCDLFQBZAQYIH-AEFFLSMTSA-N 0 1 397.475 3.040 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001594542714 986188454 /nfs/dbraw/zinc/18/84/54/986188454.db2.gz RYYBGXCFXJWEGY-UZLBHIALSA-N 0 1 381.476 3.047 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001594542755 986189396 /nfs/dbraw/zinc/18/93/96/986189396.db2.gz UBSHKCFGYPZLPT-PXNSSMCTSA-N 0 1 380.488 3.202 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001594542756 986189546 /nfs/dbraw/zinc/18/95/46/986189546.db2.gz UBSHKCFGYPZLPT-XLIONFOSSA-N 0 1 380.488 3.202 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594542971 986192156 /nfs/dbraw/zinc/19/21/56/986192156.db2.gz WVQPOVVJANPFGZ-QFBILLFUSA-N 0 1 381.476 3.203 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594542969 986192488 /nfs/dbraw/zinc/19/24/88/986192488.db2.gz WVQPOVVJANPFGZ-APWZRJJASA-N 0 1 381.476 3.203 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)c2)C[C@H](C)O1 ZINC001594543099 986192588 /nfs/dbraw/zinc/19/25/88/986192588.db2.gz YKKVSWNYZJJTBQ-GRMFRXPNSA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)c2)C[C@H](C)O1 ZINC001594543099 986192589 /nfs/dbraw/zinc/19/25/89/986192589.db2.gz YKKVSWNYZJJTBQ-GRMFRXPNSA-N 0 1 384.432 3.239 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543827 986195345 /nfs/dbraw/zinc/19/53/45/986195345.db2.gz BQJXAXLODJATCW-SBUREZEXSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543827 986195352 /nfs/dbraw/zinc/19/53/52/986195352.db2.gz BQJXAXLODJATCW-SBUREZEXSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543827 986195361 /nfs/dbraw/zinc/19/53/61/986195361.db2.gz BQJXAXLODJATCW-SBUREZEXSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543901 986196268 /nfs/dbraw/zinc/19/62/68/986196268.db2.gz CPTRPAKDJYVSJX-FHZYATBESA-N 0 1 398.478 3.317 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594544470 986198994 /nfs/dbraw/zinc/19/89/94/986198994.db2.gz HKMFJCDDSSCGPP-MJGOQNOKSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001594544468 986199538 /nfs/dbraw/zinc/19/95/38/986199538.db2.gz HKMFJCDDSSCGPP-IEBWSBKVSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)CC[N@@H+](Cc2ccccc2)C1 ZINC001594544496 986199805 /nfs/dbraw/zinc/19/98/05/986199805.db2.gz IHWBKMVDXBLUDR-OAHLLOKOSA-N 0 1 387.505 3.110 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594545075 986206196 /nfs/dbraw/zinc/20/61/96/986206196.db2.gz PDKFNDWHKMQMAM-IYBDPMFKSA-N 0 1 397.475 3.045 20 0 GGADMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594547060 986219372 /nfs/dbraw/zinc/21/93/72/986219372.db2.gz DVIJAOZPBMAZOS-VXGBXAGGSA-N 0 1 397.306 3.402 20 0 GGADMN C[C@@H]1CN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)C[N@H+]1C ZINC001594547057 986219518 /nfs/dbraw/zinc/21/95/18/986219518.db2.gz DVIJAOZPBMAZOS-NEPJUHHUSA-N 0 1 397.306 3.402 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C[C@H](C)[C@H]1O ZINC001594548622 986240107 /nfs/dbraw/zinc/24/01/07/986240107.db2.gz VJTNCMGWVHUBBQ-FTJFQDGESA-N 0 1 398.290 3.326 20 0 GGADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589340017 986245732 /nfs/dbraw/zinc/24/57/32/986245732.db2.gz RBIGZMPUPGBSPP-NQCMUKECSA-N 0 1 382.863 3.013 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589342697 986271352 /nfs/dbraw/zinc/27/13/52/986271352.db2.gz QSIJOVHFQRPKPD-SQWLQELKSA-N 0 1 379.526 3.240 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001589351044 986315268 /nfs/dbraw/zinc/31/52/68/986315268.db2.gz WCAPUQIEQMYTKZ-CQSZACIVSA-N 0 1 392.446 3.156 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589352041 986319798 /nfs/dbraw/zinc/31/97/98/986319798.db2.gz DLYHVEZGVSYGIV-JTSKRJEESA-N 0 1 392.499 3.346 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589352042 986320181 /nfs/dbraw/zinc/32/01/81/986320181.db2.gz DLYHVEZGVSYGIV-VGOFRKELSA-N 0 1 392.499 3.346 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1cncn1Cc1ccccc1 ZINC001594568608 986373027 /nfs/dbraw/zinc/37/30/27/986373027.db2.gz LGRLVUZROWVOBQ-SFHVURJKSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC001594568608 986373032 /nfs/dbraw/zinc/37/30/32/986373032.db2.gz LGRLVUZROWVOBQ-SFHVURJKSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)c1ccccc1 ZINC001594568868 986373969 /nfs/dbraw/zinc/37/39/69/986373969.db2.gz KUFRYOQWIIGNGG-KURKYZTESA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)c1ccccc1 ZINC001594568868 986373981 /nfs/dbraw/zinc/37/39/81/986373981.db2.gz KUFRYOQWIIGNGG-KURKYZTESA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)c1ccccc1 ZINC001594568879 986374491 /nfs/dbraw/zinc/37/44/91/986374491.db2.gz KUFRYOQWIIGNGG-RCCFBDPRSA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)c1ccccc1 ZINC001594568879 986374499 /nfs/dbraw/zinc/37/44/99/986374499.db2.gz KUFRYOQWIIGNGG-RCCFBDPRSA-N 0 1 395.503 3.161 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001597016625 986383693 /nfs/dbraw/zinc/38/36/93/986383693.db2.gz HGXYOUJSTAMUMZ-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001594570446 986392309 /nfs/dbraw/zinc/39/23/09/986392309.db2.gz VJTWUEFGHJPSSA-SFHVURJKSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001594570446 986392318 /nfs/dbraw/zinc/39/23/18/986392318.db2.gz VJTWUEFGHJPSSA-SFHVURJKSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001594570413 986392417 /nfs/dbraw/zinc/39/24/17/986392417.db2.gz SDSJHOUBNXBKMP-JTSKRJEESA-N 0 1 396.487 3.263 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001594570442 986392579 /nfs/dbraw/zinc/39/25/79/986392579.db2.gz VJTWUEFGHJPSSA-GOSISDBHSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC001594570442 986392588 /nfs/dbraw/zinc/39/25/88/986392588.db2.gz VJTWUEFGHJPSSA-GOSISDBHSA-N 0 1 390.487 3.340 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC001594570660 986394085 /nfs/dbraw/zinc/39/40/85/986394085.db2.gz TUAZIWWAAUDQQH-OAHLLOKOSA-N 0 1 382.489 3.343 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589373100 986421181 /nfs/dbraw/zinc/42/11/81/986421181.db2.gz AWZAUQJVFAAGLZ-RHGYRFJNSA-N 0 1 392.499 3.471 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373515 986422355 /nfs/dbraw/zinc/42/23/55/986422355.db2.gz DTTGGFLEOXROEX-LQKXBSAESA-N 0 1 398.425 3.328 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373515 986422363 /nfs/dbraw/zinc/42/23/63/986422363.db2.gz DTTGGFLEOXROEX-LQKXBSAESA-N 0 1 398.425 3.328 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589376337 986436252 /nfs/dbraw/zinc/43/62/52/986436252.db2.gz YKUJLTAIIFFBHL-SJORKVTESA-N 0 1 396.487 3.338 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589376337 986436256 /nfs/dbraw/zinc/43/62/56/986436256.db2.gz YKUJLTAIIFFBHL-SJORKVTESA-N 0 1 396.487 3.338 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030402 986444314 /nfs/dbraw/zinc/44/43/14/986444314.db2.gz AFZRUQZUCQZAEJ-RHSMWYFYSA-N 0 1 389.448 3.158 20 0 GGADMN CCOc1cc(CN2CCC[N@@H+](C)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597030460 986445297 /nfs/dbraw/zinc/44/52/97/986445297.db2.gz BWYHDCRCAXTPFP-UHFFFAOYSA-N 0 1 388.464 3.093 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@H](COC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032418 986455629 /nfs/dbraw/zinc/45/56/29/986455629.db2.gz UULPKVUDHHVEDN-INIZCTEOSA-N 0 1 389.448 3.424 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](OC)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033142 986460335 /nfs/dbraw/zinc/46/03/35/986460335.db2.gz YHRLXNBLUCYTSP-OAHLLOKOSA-N 0 1 375.421 3.176 20 0 GGADMN CCOc1cc(C[N@@H+](C)CC(C)(C)O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033887 986466069 /nfs/dbraw/zinc/46/60/69/986466069.db2.gz RHTXDSNEUSEUNL-UHFFFAOYSA-N 0 1 377.437 3.158 20 0 GGADMN CCOc1ccc(-c2nc(C[N@@H+]3[C@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)co2)cc1 ZINC001597049480 986521679 /nfs/dbraw/zinc/52/16/79/986521679.db2.gz PNAIZEFDUREVCQ-RPTUDFQQSA-N 0 1 386.448 3.335 20 0 GGADMN CCOc1ccc(-c2nc(C[N@H+]3[C@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)co2)cc1 ZINC001597049480 986521681 /nfs/dbraw/zinc/52/16/81/986521681.db2.gz PNAIZEFDUREVCQ-RPTUDFQQSA-N 0 1 386.448 3.335 20 0 GGADMN C[C@H]1COCC[N@H+]1C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594607222 986575556 /nfs/dbraw/zinc/57/55/56/986575556.db2.gz NPTVOTVCDHLCGV-SJCJKPOMSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC001589413443 986614299 /nfs/dbraw/zinc/61/42/99/986614299.db2.gz ATPRNAQLSLBECB-IVZQSRNASA-N 0 1 384.451 3.192 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC001589413446 986614651 /nfs/dbraw/zinc/61/46/51/986614651.db2.gz ATPRNAQLSLBECB-QRQCRPRQSA-N 0 1 384.451 3.192 20 0 GGADMN C[C@H]1CSCC[N@@H+](Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001594613753 986622523 /nfs/dbraw/zinc/62/25/23/986622523.db2.gz RVZOADFXTXGTCY-SNVBAGLBSA-N 0 1 384.299 3.139 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001589415116 986640714 /nfs/dbraw/zinc/64/07/14/986640714.db2.gz OCJLNBZCEUKQNS-CSODHUTKSA-N 0 1 380.488 3.343 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001589415115 986641144 /nfs/dbraw/zinc/64/11/44/986641144.db2.gz OCJLNBZCEUKQNS-CBGDNZLLSA-N 0 1 380.488 3.343 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1)c1ccccc1 ZINC001589421968 986660265 /nfs/dbraw/zinc/66/02/65/986660265.db2.gz CYLPKHYOMGGTBR-KGLIPLIRSA-N 0 1 387.505 3.287 20 0 GGADMN CCOc1ccc(CC[N@@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC001597094710 986681513 /nfs/dbraw/zinc/68/15/13/986681513.db2.gz LBAWJCVRAUHHEP-QGZVFWFLSA-N 0 1 388.489 3.125 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589424128 986687728 /nfs/dbraw/zinc/68/77/28/986687728.db2.gz YPESLKFXWSCJGS-YCPHGPKFSA-N 0 1 387.505 3.287 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589424128 986687731 /nfs/dbraw/zinc/68/77/31/986687731.db2.gz YPESLKFXWSCJGS-YCPHGPKFSA-N 0 1 387.505 3.287 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001589431091 986723760 /nfs/dbraw/zinc/72/37/60/986723760.db2.gz DJFKOIMUBSCDEI-ZBFHGGJFSA-N 0 1 384.480 3.227 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589434989 986740048 /nfs/dbraw/zinc/74/00/48/986740048.db2.gz BXPJYKJCIPDYEO-MRXNPFEDSA-N 0 1 381.476 3.444 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435516 986745359 /nfs/dbraw/zinc/74/53/59/986745359.db2.gz KQXXVRVFGIOJAM-WDEREUQCSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589435516 986745368 /nfs/dbraw/zinc/74/53/68/986745368.db2.gz KQXXVRVFGIOJAM-WDEREUQCSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589436354 986752163 /nfs/dbraw/zinc/75/21/63/986752163.db2.gz VVPOQIXPFMSAKW-GARJFASQSA-N 0 1 378.778 3.252 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589436354 986752176 /nfs/dbraw/zinc/75/21/76/986752176.db2.gz VVPOQIXPFMSAKW-GARJFASQSA-N 0 1 378.778 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440394 986784825 /nfs/dbraw/zinc/78/48/25/986784825.db2.gz WEVANQAJTMFSBX-WAIKUNEKSA-N 0 1 396.487 3.249 20 0 GGADMN C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001589440292 986785375 /nfs/dbraw/zinc/78/53/75/986785375.db2.gz WEVANQAJTMFSBX-MWTRTKDXSA-N 0 1 396.487 3.249 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001589440557 986788307 /nfs/dbraw/zinc/78/83/07/986788307.db2.gz YPUDRLSRVPSAHR-RKVPGOIHSA-N 0 1 399.516 3.496 20 0 GGADMN CCOc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(=O)[O-])c1F ZINC001597117425 986792118 /nfs/dbraw/zinc/79/21/18/986792118.db2.gz HQGOALPCKWQTEP-FUNVUKJBSA-N 0 1 379.432 3.012 20 0 GGADMN C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001594642203 986803712 /nfs/dbraw/zinc/80/37/12/986803712.db2.gz HPGPHAUMVMWILT-SBUREZEXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CCO2 ZINC001594642203 986803722 /nfs/dbraw/zinc/80/37/22/986803722.db2.gz HPGPHAUMVMWILT-SBUREZEXSA-N 0 1 397.471 3.344 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001589445026 986806314 /nfs/dbraw/zinc/80/63/14/986806314.db2.gz MZRBSDGICDLMLA-ZMSDIMECSA-N 0 1 380.444 3.040 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001589445026 986806319 /nfs/dbraw/zinc/80/63/19/986806319.db2.gz MZRBSDGICDLMLA-ZMSDIMECSA-N 0 1 380.444 3.040 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001589445024 986806711 /nfs/dbraw/zinc/80/67/11/986806711.db2.gz MZRBSDGICDLMLA-INMHGKMJSA-N 0 1 380.444 3.040 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001589445024 986806716 /nfs/dbraw/zinc/80/67/16/986806716.db2.gz MZRBSDGICDLMLA-INMHGKMJSA-N 0 1 380.444 3.040 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001589445224 986809586 /nfs/dbraw/zinc/80/95/86/986809586.db2.gz XFNVYBKXAIOWNV-RGPZOAQRSA-N 0 1 382.485 3.427 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001589445224 986809591 /nfs/dbraw/zinc/80/95/91/986809591.db2.gz XFNVYBKXAIOWNV-RGPZOAQRSA-N 0 1 382.485 3.427 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC001589445314 986810926 /nfs/dbraw/zinc/81/09/26/986810926.db2.gz ZDGSJIQMGBTQFQ-BLVKFPJESA-N 0 1 391.468 3.463 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001589445819 986815311 /nfs/dbraw/zinc/81/53/11/986815311.db2.gz XDWPADQMXGRNJI-ZDUSSCGKSA-N 0 1 394.431 3.128 20 0 GGADMN CCOc1cccc(CNC(=O)C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001597155035 986945802 /nfs/dbraw/zinc/94/58/02/986945802.db2.gz GWMZHNCSLAPNPY-QFIPXVFZSA-N 0 1 392.455 3.270 20 0 GGADMN CCOc1cccc(CNC(=O)C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001597155032 986945827 /nfs/dbraw/zinc/94/58/27/986945827.db2.gz GWMZHNCSLAPNPY-JOCHJYFZSA-N 0 1 392.455 3.270 20 0 GGADMN CCOc1ccccc1-c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001597167392 986991141 /nfs/dbraw/zinc/99/11/41/986991141.db2.gz NCUJIKHVYOQFPK-KRWDZBQOSA-N 0 1 396.487 3.373 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001597173396 987017610 /nfs/dbraw/zinc/01/76/10/987017610.db2.gz VEZGKKGRDMIBKQ-IBGZPJMESA-N 0 1 384.476 3.483 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001597173396 987017619 /nfs/dbraw/zinc/01/76/19/987017619.db2.gz VEZGKKGRDMIBKQ-IBGZPJMESA-N 0 1 384.476 3.483 20 0 GGADMN CCOc1ccccc1N1CC[NH+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC1 ZINC001597178415 987026275 /nfs/dbraw/zinc/02/62/75/987026275.db2.gz KBWFIBVYQKMDIP-UHFFFAOYSA-N 0 1 383.492 3.244 20 0 GGADMN CCOc1ccccc1N1CC[NH+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC001597178724 987028522 /nfs/dbraw/zinc/02/85/22/987028522.db2.gz QXXPCJDFYAZAJL-QGZVFWFLSA-N 0 1 384.476 3.259 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001597179375 987034963 /nfs/dbraw/zinc/03/49/63/987034963.db2.gz LULWWVZFRALNBR-QFIPXVFZSA-N 0 1 382.460 3.142 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCC1 ZINC001589486845 987037437 /nfs/dbraw/zinc/03/74/37/987037437.db2.gz VNGNXTWFPGBKPB-CQSZACIVSA-N 0 1 388.464 3.384 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCC1 ZINC001589486845 987037448 /nfs/dbraw/zinc/03/74/48/987037448.db2.gz VNGNXTWFPGBKPB-CQSZACIVSA-N 0 1 388.464 3.384 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCC1 ZINC001589487145 987043011 /nfs/dbraw/zinc/04/30/11/987043011.db2.gz SDPJOQBSRKNHBB-LBPRGKRZSA-N 0 1 378.270 3.462 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCC1 ZINC001589487144 987043224 /nfs/dbraw/zinc/04/32/24/987043224.db2.gz SDPJOQBSRKNHBB-GFCCVEGCSA-N 0 1 378.270 3.462 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(F)c1I)C1CCC1 ZINC001589487283 987046250 /nfs/dbraw/zinc/04/62/50/987046250.db2.gz XSBUHQMREDTELS-VIFPVBQESA-N 0 1 377.197 3.258 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504509 987114520 /nfs/dbraw/zinc/11/45/20/987114520.db2.gz MLNYINLRLANILR-OXQOHEQNSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504509 987114524 /nfs/dbraw/zinc/11/45/24/987114524.db2.gz MLNYINLRLANILR-OXQOHEQNSA-N 0 1 382.460 3.104 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001597229950 987181953 /nfs/dbraw/zinc/18/19/53/987181953.db2.gz PPXIGPOFDVRKKU-QWRGUYRKSA-N 0 1 383.495 3.015 20 0 GGADMN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594725094 987226598 /nfs/dbraw/zinc/22/65/98/987226598.db2.gz KZFDFCNXUXRMOY-NZQKXSOJSA-N 0 1 380.488 3.465 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC001597256169 987257032 /nfs/dbraw/zinc/25/70/32/987257032.db2.gz HXKHUQIKKVHMHM-NEPJUHHUSA-N 0 1 382.551 3.480 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594735703 987271127 /nfs/dbraw/zinc/27/11/27/987271127.db2.gz QMHUWZMNFTUCBU-DENIHFKCSA-N 0 1 382.460 3.141 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001589595496 987414146 /nfs/dbraw/zinc/41/41/46/987414146.db2.gz VWUYMZRTVGJKNG-VQTJNVASSA-N 0 1 395.503 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001589611012 987460192 /nfs/dbraw/zinc/46/01/92/987460192.db2.gz YRPVEVXMKZWGDL-AEFFLSMTSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC001589611961 987470461 /nfs/dbraw/zinc/47/04/61/987470461.db2.gz LBMBEJTVMFVYGP-CRAIPNDOSA-N 0 1 394.462 3.279 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC001589616180 987476097 /nfs/dbraw/zinc/47/60/97/987476097.db2.gz LSEGEGZZTFVKNW-LBPRGKRZSA-N 0 1 380.286 3.420 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC001589616180 987476100 /nfs/dbraw/zinc/47/61/00/987476100.db2.gz LSEGEGZZTFVKNW-LBPRGKRZSA-N 0 1 380.286 3.420 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)c(C)c1C(=O)[O-] ZINC001597367341 987542143 /nfs/dbraw/zinc/54/21/43/987542143.db2.gz QZTRXMPMAABBEO-QGZVFWFLSA-N 0 1 383.492 3.150 20 0 GGADMN CCc1[nH]c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c(C)c1C(=O)[O-] ZINC001597367806 987544658 /nfs/dbraw/zinc/54/46/58/987544658.db2.gz ASJMOGQQGKLFON-UHFFFAOYSA-N 0 1 383.492 3.368 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001597369101 987550864 /nfs/dbraw/zinc/55/08/64/987550864.db2.gz DGTCRRNGKQWUHG-QGZVFWFLSA-N 0 1 383.492 3.368 20 0 GGADMN CCc1[nH]c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c(C)c1C(=O)[O-] ZINC001597374292 987560944 /nfs/dbraw/zinc/56/09/44/987560944.db2.gz JLEOHSDLAUGIAW-UHFFFAOYSA-N 0 1 390.509 3.449 20 0 GGADMN CCc1[nH]c(CN2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc1C(=O)[O-] ZINC001597383120 987581008 /nfs/dbraw/zinc/58/10/08/987581008.db2.gz BHEQJHNQYOTNTR-SBUREZEXSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1C(=O)[O-] ZINC001597383120 987581013 /nfs/dbraw/zinc/58/10/13/987581013.db2.gz BHEQJHNQYOTNTR-SBUREZEXSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(CN2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)cc1C(=O)[O-] ZINC001597383116 987581553 /nfs/dbraw/zinc/58/15/53/987581553.db2.gz BHEQJHNQYOTNTR-GAJHUEQPSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1C(=O)[O-] ZINC001597383116 987581567 /nfs/dbraw/zinc/58/15/67/987581567.db2.gz BHEQJHNQYOTNTR-GAJHUEQPSA-N 0 1 397.519 3.141 20 0 GGADMN CCc1[nH]c(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1C(=O)[O-] ZINC001597384230 987586869 /nfs/dbraw/zinc/58/68/69/987586869.db2.gz IMJVODLYCPWYRC-HXUWFJFHSA-N 0 1 377.485 3.108 20 0 GGADMN CCc1[nH]c(C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001597383953 987586912 /nfs/dbraw/zinc/58/69/12/987586912.db2.gz HZUDZMRHLAZDDE-GUYCJALGSA-N 0 1 379.501 3.401 20 0 GGADMN CC(C)(C(=O)[O-])c1csc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001589655097 987611687 /nfs/dbraw/zinc/61/16/87/987611687.db2.gz QAYQLXDGIFYTLT-AWEZNQCLSA-N 0 1 394.541 3.424 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001589690911 987756082 /nfs/dbraw/zinc/75/60/82/987756082.db2.gz KEUGZIDJPYVMOC-VEGGFIAOSA-N 0 1 388.508 3.038 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC001597459582 987886254 /nfs/dbraw/zinc/88/62/54/987886254.db2.gz JZRTZYDYIWCKMA-UHFFFAOYSA-N 0 1 375.391 3.343 20 0 GGADMN CC(C)(C)[C@@]1(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001589727113 987919498 /nfs/dbraw/zinc/91/94/98/987919498.db2.gz WVHOASBHORPGQM-QHCPKHFHSA-N 0 1 396.535 3.446 20 0 GGADMN CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001599787359 987946203 /nfs/dbraw/zinc/94/62/03/987946203.db2.gz CKUJPAASWDZEBF-VXGBXAGGSA-N 0 1 382.551 3.480 20 0 GGADMN CCc1cc2c(C[N@H+]3CC[C@](C(=O)[O-])(c4ccccc4)C3)cc(=O)oc2cc1O ZINC001597488848 988002698 /nfs/dbraw/zinc/00/26/98/988002698.db2.gz PQUSHAWNPJBTEF-HSZRJFAPSA-N 0 1 393.439 3.289 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@H+]3C[C@@H](OC)C[C@@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489575 988012161 /nfs/dbraw/zinc/01/21/61/988012161.db2.gz LXUUJLSXYIYYIU-DJJJIMSYSA-N 0 1 379.840 3.073 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@H+]3C[C@H](OC)C[C@@]3(C)C(=O)[O-])c2cc1Cl ZINC001597489577 988012227 /nfs/dbraw/zinc/01/22/27/988012227.db2.gz LXUUJLSXYIYYIU-YJYMSZOUSA-N 0 1 379.840 3.073 20 0 GGADMN CC(C)(C)C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC001589743119 988021461 /nfs/dbraw/zinc/02/14/61/988021461.db2.gz DJIONDUOVFBEQE-DOTOQJQBSA-N 0 1 375.513 3.499 20 0 GGADMN CC(C)(C)CC[C@@H](C[N@@H+](CC(=O)[O-])C1CCOCC1)NC(=O)OC(C)(C)C ZINC001589764193 988098384 /nfs/dbraw/zinc/09/83/84/988098384.db2.gz APODMOOIKZVFCM-HNNXBMFYSA-N 0 1 386.533 3.272 20 0 GGADMN CC(C)(C)CC[C@@H](C[N@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)NC(=O)OC(C)(C)C ZINC001589764785 988107715 /nfs/dbraw/zinc/10/77/15/988107715.db2.gz XEALHXIQCWUWGG-VBKZILBWSA-N 0 1 397.516 3.011 20 0 GGADMN CC(C)(C)CC[C@H](C[N@H+]1CC[C@]2(CC(C(=O)[O-])=NO2)C1)NC(=O)OC(C)(C)C ZINC001589764786 988107787 /nfs/dbraw/zinc/10/77/87/988107787.db2.gz XEALHXIQCWUWGG-VLIAUNLRSA-N 0 1 397.516 3.011 20 0 GGADMN CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3OC)C2)cc1 ZINC001597517378 988131391 /nfs/dbraw/zinc/13/13/91/988131391.db2.gz LGYVFJWOIDIOGV-VQTJNVASSA-N 0 1 399.487 3.185 20 0 GGADMN CCc1ccc(C[NH+]2CCN(C(=O)NCCCCCCC(=O)[O-])CC2)cc1 ZINC001597526265 988172000 /nfs/dbraw/zinc/17/20/00/988172000.db2.gz QMZLPTQVWBRDQD-UHFFFAOYSA-N 0 1 375.513 3.111 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001589796272 988194127 /nfs/dbraw/zinc/19/41/27/988194127.db2.gz ORVQFMUFWUMORU-WDYCEAGBSA-N 0 1 376.472 3.138 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001589802607 988213215 /nfs/dbraw/zinc/21/32/15/988213215.db2.gz UMWPMMRFUZLAON-HNNXBMFYSA-N 0 1 388.512 3.227 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001589805870 988224473 /nfs/dbraw/zinc/22/44/73/988224473.db2.gz IVWRUBKVQCMERK-INIZCTEOSA-N 0 1 379.526 3.389 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC001589806127 988226975 /nfs/dbraw/zinc/22/69/75/988226975.db2.gz LQMMCYVCUICFHK-OAQYLSRUSA-N 0 1 388.439 3.454 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001589806823 988234575 /nfs/dbraw/zinc/23/45/75/988234575.db2.gz UWFXHAPPSUHJJP-HXUWFJFHSA-N 0 1 390.411 3.296 20 0 GGADMN CCc1ccc(NC(=O)C[NH+]2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001597545033 988245090 /nfs/dbraw/zinc/24/50/90/988245090.db2.gz NMISVGIPSAVBFA-UHFFFAOYSA-N 0 1 387.505 3.297 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001589814880 988248246 /nfs/dbraw/zinc/24/82/46/988248246.db2.gz JTJMOIKEDFSCGW-IXDOHACOSA-N 0 1 393.915 3.022 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)CC1 ZINC001589818314 988271734 /nfs/dbraw/zinc/27/17/34/988271734.db2.gz NRKFYRATRVQDJH-UHFFFAOYSA-N 0 1 399.438 3.367 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)sc2C1 ZINC001589824553 988288618 /nfs/dbraw/zinc/28/86/18/988288618.db2.gz HFACUVGBZZIAAC-SZNDQCEHSA-N 0 1 399.516 3.497 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)sc2C1 ZINC001589824551 988289050 /nfs/dbraw/zinc/28/90/50/988289050.db2.gz HFACUVGBZZIAAC-QKKBWIMNSA-N 0 1 399.516 3.497 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(OCC(=O)[O-])cc3)sc2C1 ZINC001589825671 988295833 /nfs/dbraw/zinc/29/58/33/988295833.db2.gz ZJOTUHBCRCMYEY-UHFFFAOYSA-N 0 1 389.477 3.015 20 0 GGADMN CCc1ccc2c(C[N@@H+]3CCOc4c(cccc4C(=O)[O-])C3)cc(=O)oc2c1 ZINC001597563657 988316941 /nfs/dbraw/zinc/31/69/41/988316941.db2.gz RHOYAQUELYPUNH-UHFFFAOYSA-N 0 1 379.412 3.448 20 0 GGADMN CCc1ccc2c(C[N@H+]3CCOc4c(cccc4C(=O)[O-])C3)cc(=O)oc2c1 ZINC001597563657 988316955 /nfs/dbraw/zinc/31/69/55/988316955.db2.gz RHOYAQUELYPUNH-UHFFFAOYSA-N 0 1 379.412 3.448 20 0 GGADMN CCc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])C[C@H]3[C@H]3CCCO3)cc(=O)oc2c1 ZINC001597563773 988318479 /nfs/dbraw/zinc/31/84/79/988318479.db2.gz VUJGLRAIKJDLAK-ZYSHUDEJSA-N 0 1 385.460 3.200 20 0 GGADMN CCc1ccc2c(C[N@@H+]3CCOc4cc(C(=O)[O-])ccc4C3)cc(=O)oc2c1 ZINC001597563696 988318755 /nfs/dbraw/zinc/31/87/55/988318755.db2.gz UXHRSVGUHWPFSB-UHFFFAOYSA-N 0 1 379.412 3.448 20 0 GGADMN CCc1ccc2c(C[N@H+]3CCOc4cc(C(=O)[O-])ccc4C3)cc(=O)oc2c1 ZINC001597563696 988318767 /nfs/dbraw/zinc/31/87/67/988318767.db2.gz UXHRSVGUHWPFSB-UHFFFAOYSA-N 0 1 379.412 3.448 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC001599810805 988330577 /nfs/dbraw/zinc/33/05/77/988330577.db2.gz HMNAPELDMYJDTP-FQEVSTJZSA-N 0 1 398.528 3.489 20 0 GGADMN CSc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cc1 ZINC001599813046 988371278 /nfs/dbraw/zinc/37/12/78/988371278.db2.gz JQMHOILTPGWTSN-INIZCTEOSA-N 0 1 380.510 3.305 20 0 GGADMN CSc1ccc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)o1 ZINC001599813506 988379639 /nfs/dbraw/zinc/37/96/39/988379639.db2.gz WHTHNIHYWOUUPI-GBRVTDDUSA-N 0 1 381.494 3.256 20 0 GGADMN CC(C)(C)OC(=O)C1(CC[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)CCC1 ZINC001589855065 988394110 /nfs/dbraw/zinc/39/41/10/988394110.db2.gz MGXJXZMIKFRGJN-ZWKOTPCHSA-N 0 1 389.492 3.394 20 0 GGADMN CCc1cccc(NC(=O)C[NH2+]Cc2oc(Br)cc2C(=O)[O-])c1 ZINC001597595664 988443407 /nfs/dbraw/zinc/44/34/07/988443407.db2.gz WGPZLFYZQYVYAY-UHFFFAOYSA-N 0 1 381.226 3.031 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC12CC(C(=O)[O-])C2 ZINC001589865454 988457521 /nfs/dbraw/zinc/45/75/21/988457521.db2.gz AXTHYFYZHPZKBY-FRIYVGAWSA-N 0 1 396.487 3.489 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CC12CC(C(=O)[O-])C2 ZINC001589865459 988457980 /nfs/dbraw/zinc/45/79/80/988457980.db2.gz AXXFMBYMEOPYKU-YZEMWESSSA-N 0 1 395.540 3.335 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589866353 988469727 /nfs/dbraw/zinc/46/97/27/988469727.db2.gz MKUQOYWJDJJVPG-LXDLAPCHSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589866353 988469728 /nfs/dbraw/zinc/46/97/28/988469728.db2.gz MKUQOYWJDJJVPG-LXDLAPCHSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589866352 988470108 /nfs/dbraw/zinc/47/01/08/988470108.db2.gz MKUQOYWJDJJVPG-KLSXAPCHSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC12CC(C(=O)[O-])C2 ZINC001589866352 988470112 /nfs/dbraw/zinc/47/01/12/988470112.db2.gz MKUQOYWJDJJVPG-KLSXAPCHSA-N 0 1 395.883 3.300 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CC12CC(C(=O)[O-])C2 ZINC001589866410 988471518 /nfs/dbraw/zinc/47/15/18/988471518.db2.gz NMRSTJNFDNGYLN-HIHZZFLASA-N 0 1 381.513 3.087 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC12CC(C(=O)[O-])C2 ZINC001589866930 988477376 /nfs/dbraw/zinc/47/73/76/988477376.db2.gz QKIDSCXQEUWLEC-NHUHVJRWSA-N 0 1 393.524 3.233 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CC12CC(C(=O)[O-])C2 ZINC001589867180 988483418 /nfs/dbraw/zinc/48/34/18/988483418.db2.gz UHKDEWRXFKKNHS-BPJOISHMSA-N 0 1 389.467 3.436 20 0 GGADMN CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CCOCC1 ZINC001589874032 988525024 /nfs/dbraw/zinc/52/50/24/988525024.db2.gz GOJNXAGTZQBSHE-UHFFFAOYSA-N 0 1 381.444 3.237 20 0 GGADMN CC(C)(C)OC(=O)CC[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001589875147 988533486 /nfs/dbraw/zinc/53/34/86/988533486.db2.gz YMURPWXOKLWXLT-UHFFFAOYSA-N 0 1 386.286 3.458 20 0 GGADMN CSc1ccccc1C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001599824305 988570608 /nfs/dbraw/zinc/57/06/08/988570608.db2.gz WNPPZNBZZOUYAV-OAHLLOKOSA-N 0 1 380.510 3.305 20 0 GGADMN CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001599825152 988585683 /nfs/dbraw/zinc/58/56/83/988585683.db2.gz JYSTZVSLGPBBJY-QVKFZJNVSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001599825151 988586105 /nfs/dbraw/zinc/58/61/05/988586105.db2.gz JYSTZVSLGPBBJY-BTYIYWSLSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C(C)C ZINC001599825397 988590600 /nfs/dbraw/zinc/59/06/00/988590600.db2.gz WKHKJCYMBWZGFK-OAHLLOKOSA-N 0 1 378.494 3.085 20 0 GGADMN CCc1csc(CC2CC[NH+](CC(=O)Nc3ccc(C(=O)[O-])cc3)CC2)n1 ZINC001597638534 988625084 /nfs/dbraw/zinc/62/50/84/988625084.db2.gz IBHVYOXIIHUFHS-UHFFFAOYSA-N 0 1 387.505 3.297 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001589929491 988685903 /nfs/dbraw/zinc/68/59/03/988685903.db2.gz CYHHFMOCNGRAIB-GOEBONIOSA-N 0 1 396.434 3.315 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H]2C(=O)[O-] ZINC001589947545 988736298 /nfs/dbraw/zinc/73/62/98/988736298.db2.gz GBZYCYOTJJWTTC-BDUNBXCCSA-N 0 1 390.455 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@H]2C(=O)[O-] ZINC001589947551 988736666 /nfs/dbraw/zinc/73/66/66/988736666.db2.gz GBZYCYOTJJWTTC-CHYADLBTSA-N 0 1 390.455 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC1CCC(F)(F)CC1)C[C@H]2C(=O)[O-] ZINC001589948994 988743449 /nfs/dbraw/zinc/74/34/49/988743449.db2.gz RCDIQGZAEIVTPP-AWEZNQCLSA-N 0 1 388.455 3.065 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc3occc3c1)C[C@H]2C(=O)[O-] ZINC001589953252 988750132 /nfs/dbraw/zinc/75/01/32/988750132.db2.gz DFAGDSQEPNWSGC-INIZCTEOSA-N 0 1 386.448 3.186 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001589954971 988757363 /nfs/dbraw/zinc/75/73/63/988757363.db2.gz JHBKBBYAICANCM-HDICACEKSA-N 0 1 386.492 3.387 20 0 GGADMN CCc1nc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])sc1C ZINC001597678037 988796555 /nfs/dbraw/zinc/79/65/55/988796555.db2.gz JQSJYVUFLKBPRE-ZDUSSCGKSA-N 0 1 375.494 3.175 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(C(=O)[O-])s2)C1 ZINC001589971776 988802206 /nfs/dbraw/zinc/80/22/06/988802206.db2.gz FCINZOQRMUVZGJ-KGLIPLIRSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001589973446 988816853 /nfs/dbraw/zinc/81/68/53/988816853.db2.gz DOSWNQSIEBUSBO-QFIPXVFZSA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001589974100 988821056 /nfs/dbraw/zinc/82/10/56/988821056.db2.gz MCKLPXUCOAEKGA-HTAPYJJXSA-N 0 1 388.508 3.362 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001589974655 988826217 /nfs/dbraw/zinc/82/62/17/988826217.db2.gz REGIOKBRVMYRJS-KBPBESRZSA-N 0 1 395.525 3.278 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001589974659 988826707 /nfs/dbraw/zinc/82/67/07/988826707.db2.gz REGIOKBRVMYRJS-ZIAGYGMSSA-N 0 1 395.525 3.278 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(C(=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC001599841362 988840342 /nfs/dbraw/zinc/84/03/42/988840342.db2.gz BJFAPMGRMCCIDE-GFCCVEGCSA-N 0 1 378.860 3.086 20 0 GGADMN CCc1nc2ccccc2n1C1CC[NH+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC1 ZINC001597695237 988892559 /nfs/dbraw/zinc/89/25/59/988892559.db2.gz AGZYBUCNGAQKQF-UHFFFAOYSA-N 0 1 394.475 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCOc3cccc(C(=O)[O-])c3)CC[C@H]21 ZINC001590003204 988928735 /nfs/dbraw/zinc/92/87/35/988928735.db2.gz AZTYTXDSPRAXSD-SJLPKXTDSA-N 0 1 390.480 3.095 20 0 GGADMN CCc1[nH+]ccn1CCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001597706434 988951556 /nfs/dbraw/zinc/95/15/56/988951556.db2.gz QAWDYBJAGRHXLK-UHFFFAOYSA-N 0 1 399.472 3.459 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)CC[C@H]21 ZINC001590006284 988959642 /nfs/dbraw/zinc/95/96/42/988959642.db2.gz XVXSXKXURFEAOA-DJIMGWMZSA-N 0 1 378.444 3.283 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013692 988977506 /nfs/dbraw/zinc/97/75/06/988977506.db2.gz WRMQEXLDUPANBL-PBHICJAKSA-N 0 1 393.484 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cncc(C(=O)[O-])c1)C2 ZINC001590025896 989021454 /nfs/dbraw/zinc/02/14/54/989021454.db2.gz NFSSQLBZTNMJEC-FQEVSTJZSA-N 0 1 375.469 3.145 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590026146 989022586 /nfs/dbraw/zinc/02/25/86/989022586.db2.gz PQDSILPMFKYAMC-GOSISDBHSA-N 0 1 381.498 3.207 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](Cc1nc(C(=O)[O-])cs1)C2 ZINC001590026146 989022595 /nfs/dbraw/zinc/02/25/95/989022595.db2.gz PQDSILPMFKYAMC-GOSISDBHSA-N 0 1 381.498 3.207 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cccc(C(=O)[O-])n1)C2 ZINC001590026267 989025403 /nfs/dbraw/zinc/02/54/03/989025403.db2.gz TVIVVOPLCBSCHS-FQEVSTJZSA-N 0 1 375.469 3.145 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001590034312 989043852 /nfs/dbraw/zinc/04/38/52/989043852.db2.gz DESHYXPJAYVLBI-AATOQMJSSA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001590034348 989044650 /nfs/dbraw/zinc/04/46/50/989044650.db2.gz DESHYXPJAYVLBI-YXMMZVCTSA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)[C@@H](C(=O)[O-])C1 ZINC001590034318 989044915 /nfs/dbraw/zinc/04/49/15/989044915.db2.gz DESHYXPJAYVLBI-XQDHMALISA-N 0 1 396.434 3.374 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC2CCCCCC2)[C@@H](C(=O)[O-])C1 ZINC001590034692 989049813 /nfs/dbraw/zinc/04/98/13/989049813.db2.gz JTIUICPDDGIJGI-QGZVFWFLSA-N 0 1 384.517 3.122 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C/c2cccc(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590035036 989055534 /nfs/dbraw/zinc/05/55/34/989055534.db2.gz PILIAPNFZHUJPX-ZGRWHYIRSA-N 0 1 378.444 3.235 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C\c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC001590035033 989055809 /nfs/dbraw/zinc/05/58/09/989055809.db2.gz PILIAPNFZHUJPX-AFCDSYGPSA-N 0 1 378.444 3.235 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCSCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC001590035499 989058811 /nfs/dbraw/zinc/05/88/11/989058811.db2.gz UMTCNJYHHBDPFW-KRWDZBQOSA-N 0 1 394.537 3.316 20 0 GGADMN CC(C)(C)OC(=O)N1CC[NH+](CCSCc2ccccc2C(=O)[O-])CC1 ZINC001590058676 989103565 /nfs/dbraw/zinc/10/35/65/989103565.db2.gz QBRZXFAWVSYZKS-UHFFFAOYSA-N 0 1 380.510 3.171 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@H+](CCC(C)(C)C(=O)[O-])[C@@H](c2ccncc2)C1 ZINC001590059164 989107411 /nfs/dbraw/zinc/10/74/11/989107411.db2.gz XTPFAYYQNYOKMO-MRXNPFEDSA-N 0 1 377.485 3.176 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](c2ccncc2)C1 ZINC001590059164 989107414 /nfs/dbraw/zinc/10/74/14/989107414.db2.gz XTPFAYYQNYOKMO-MRXNPFEDSA-N 0 1 377.485 3.176 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)C[C@@H]2C1 ZINC001590074273 989161480 /nfs/dbraw/zinc/16/14/80/989161480.db2.gz HOUCFLXPGVCNSK-VYDXJSESSA-N 0 1 378.444 3.140 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C[C@@H]2C1 ZINC001590074586 989165108 /nfs/dbraw/zinc/16/51/08/989165108.db2.gz NNSGPPSVDRJAAE-JKIFEVAISA-N 0 1 378.444 3.140 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599861926 989182882 /nfs/dbraw/zinc/18/28/82/989182882.db2.gz DXLCWINZUPUKOZ-MGPQQGTHSA-N 0 1 395.525 3.134 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC001597761442 989188083 /nfs/dbraw/zinc/18/80/83/989188083.db2.gz FNUMCUIJAHTHKE-LJQANCHMSA-N 0 1 397.475 3.492 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001599862462 989190907 /nfs/dbraw/zinc/19/09/07/989190907.db2.gz VTFQBLPRLHMWIK-XJFOESAGSA-N 0 1 394.434 3.074 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001597763214 989202505 /nfs/dbraw/zinc/20/25/05/989202505.db2.gz SHDMWSZFCRWDFD-HXUWFJFHSA-N 0 1 378.469 3.373 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(C4(C(=O)[O-])CC4)cc3)[C@@H]2C1 ZINC001590091696 989211335 /nfs/dbraw/zinc/21/13/35/989211335.db2.gz SSHBHURCSKVOBE-FUHWJXTLSA-N 0 1 386.492 3.244 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3[nH]cc(C(=O)[O-])c3C3CC3)[C@@H]2C1 ZINC001590091733 989211878 /nfs/dbraw/zinc/21/18/78/989211878.db2.gz VSNBJLVFJYILIX-XJKSGUPXSA-N 0 1 375.469 3.032 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2sc(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)cc2C1 ZINC001590092225 989216516 /nfs/dbraw/zinc/21/65/16/989216516.db2.gz LTEIUYYBLBQKRB-LJQANCHMSA-N 0 1 380.510 3.338 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C4(C(=O)[O-])CC4)cc3)C[C@@H]2C1 ZINC001590097728 989226895 /nfs/dbraw/zinc/22/68/95/989226895.db2.gz MVUGGMLQXAUJAS-CALCHBBNSA-N 0 1 386.492 3.102 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001599864848 989229105 /nfs/dbraw/zinc/22/91/05/989229105.db2.gz LWLTWLQUOPRDDT-MRXNPFEDSA-N 0 1 384.476 3.330 20 0 GGADMN C[C@@H]1C[N@H+]([C@H](Cc2ccc(F)cc2)C(=O)[O-])C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC001599864828 989229987 /nfs/dbraw/zinc/22/99/87/989229987.db2.gz LAPYIAHHAOAWCZ-SOIKWTOOSA-N 0 1 394.487 3.304 20 0 GGADMN CC(C)(C)OC(=O)N1[C@H](C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)COC1(C)C ZINC001590105235 989252990 /nfs/dbraw/zinc/25/29/90/989252990.db2.gz BDLHHMZQJLOEMH-OAHLLOKOSA-N 0 1 390.480 3.115 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2CC(=O)[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599866610 989274072 /nfs/dbraw/zinc/27/40/72/989274072.db2.gz SCRJNYLPGRRFCU-NVXWUHKLSA-N 0 1 376.497 3.296 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001590118471 989330660 /nfs/dbraw/zinc/33/06/60/989330660.db2.gz VVOJEWJJZJJMEV-YWZLYKJASA-N 0 1 398.450 3.263 20 0 GGADMN CCc1oc(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1C(=O)[O-] ZINC001597798346 989364730 /nfs/dbraw/zinc/36/47/30/989364730.db2.gz BHOLVKZACROTCL-UHFFFAOYSA-N 0 1 388.464 3.270 20 0 GGADMN CCc1oc(C[N@@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C(=O)[O-] ZINC001597799120 989377788 /nfs/dbraw/zinc/37/77/88/989377788.db2.gz MZAGNIXSFKUYLI-XJKSGUPXSA-N 0 1 378.469 3.372 20 0 GGADMN CCc1oc(C[N@H+]2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C(=O)[O-] ZINC001597799120 989377795 /nfs/dbraw/zinc/37/77/95/989377795.db2.gz MZAGNIXSFKUYLI-XJKSGUPXSA-N 0 1 378.469 3.372 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CCOc1ccccc1C(=O)[O-])C2 ZINC001590137563 989386378 /nfs/dbraw/zinc/38/63/78/989386378.db2.gz AXXGHWSWHGDALG-VFNWGFHPSA-N 0 1 390.480 3.143 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C2 ZINC001590137806 989387626 /nfs/dbraw/zinc/38/76/26/989387626.db2.gz DMMKYZOBWQXGKA-FRVTXMTISA-N 0 1 376.453 3.257 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C2 ZINC001590139468 989402072 /nfs/dbraw/zinc/40/20/72/989402072.db2.gz NSGXHLUZFUFGDT-QRWLVFNGSA-N 0 1 378.444 3.403 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCC(C)(C)C(=O)[O-])C2)C1 ZINC001590146530 989418762 /nfs/dbraw/zinc/41/87/62/989418762.db2.gz COKWBIGIDVRVQF-BBWFWOEESA-N 0 1 398.544 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3(CC(=O)[O-])CC3)C2)C1 ZINC001590148295 989439384 /nfs/dbraw/zinc/43/93/84/989439384.db2.gz WYLLEOUROQSOPJ-BRWVUGGUSA-N 0 1 396.528 3.026 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3(CC(=O)[O-])CC3)C2)C1 ZINC001590148299 989439494 /nfs/dbraw/zinc/43/94/94/989439494.db2.gz WYLLEOUROQSOPJ-ZACQAIPSSA-N 0 1 396.528 3.026 20 0 GGADMN CCc1sc(-c2nnc(C[N@@H+]3[C@@H]4C[C@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816533 989447598 /nfs/dbraw/zinc/44/75/98/989447598.db2.gz WKYABHCBXBLTMK-YIYPIFLZSA-N 0 1 391.493 3.264 20 0 GGADMN CCc1sc(-c2nnc(C[N@H+]3[C@@H]4C[C@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816533 989447604 /nfs/dbraw/zinc/44/76/04/989447604.db2.gz WKYABHCBXBLTMK-YIYPIFLZSA-N 0 1 391.493 3.264 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001590168568 989488496 /nfs/dbraw/zinc/48/84/96/989488496.db2.gz HORKXSGHEWPSDW-HSUXVVMDSA-N 0 1 376.453 3.257 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001590169985 989494279 /nfs/dbraw/zinc/49/42/79/989494279.db2.gz OMCJWURPTAYCFO-BTYIYWSLSA-N 0 1 390.480 3.143 20 0 GGADMN C[C@@]1(NC(=O)NCCCC(=O)[O-])C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001599884198 989528609 /nfs/dbraw/zinc/52/86/09/989528609.db2.gz MGMUQCNRARLWPJ-NZQKXSOJSA-N 0 1 395.503 3.209 20 0 GGADMN CC(C)(C)OC(=O)NCCC[N@H+](Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC001590194091 989549333 /nfs/dbraw/zinc/54/93/33/989549333.db2.gz CSSGZCMDWGUDFV-UHFFFAOYSA-N 0 1 389.452 3.290 20 0 GGADMN CC(C)(C)OC(=O)NCCC[N@@H+](Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC001590194091 989549341 /nfs/dbraw/zinc/54/93/41/989549341.db2.gz CSSGZCMDWGUDFV-UHFFFAOYSA-N 0 1 389.452 3.290 20 0 GGADMN CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001590200278 989558619 /nfs/dbraw/zinc/55/86/19/989558619.db2.gz CUJIDUXZSHFUHG-UHFFFAOYSA-N 0 1 387.480 3.282 20 0 GGADMN CCn1c(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)nc2c1cccc2F ZINC001597849608 989579985 /nfs/dbraw/zinc/57/99/85/989579985.db2.gz DRJWVDSQDDEIQN-JKSUJKDBSA-N 0 1 383.423 3.201 20 0 GGADMN CCn1c(C[NH2+]Cc2ccc(C(=O)[O-])[nH]2)nc2cc(Br)ccc21 ZINC001597854193 989606876 /nfs/dbraw/zinc/60/68/76/989606876.db2.gz ZAMNRDCHMHXCIQ-UHFFFAOYSA-N 0 1 377.242 3.135 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001590263007 989653310 /nfs/dbraw/zinc/65/33/10/989653310.db2.gz BKDTVFQRTYHFHR-OZVIIMIRSA-N 0 1 380.407 3.019 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001590263005 989653373 /nfs/dbraw/zinc/65/33/73/989653373.db2.gz BKDTVFQRTYHFHR-HWWQOWPSSA-N 0 1 380.407 3.019 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)C[N@@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)ccc21 ZINC001597868243 989659769 /nfs/dbraw/zinc/65/97/69/989659769.db2.gz DHRKCTBPDHKRBH-LFUKPOHLSA-N 0 1 377.444 3.015 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC2(C(=O)[O-])CC2)CC[C@H]1c1ccc(F)cc1 ZINC001590268148 989668803 /nfs/dbraw/zinc/66/88/03/989668803.db2.gz SXVTYJXBZKTRJT-DLBZAZTESA-N 0 1 392.471 3.373 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@]2(C(=O)[O-])C1 ZINC001590290511 989704504 /nfs/dbraw/zinc/70/45/04/989704504.db2.gz AUFYGLFAQNOVCG-IIYDPXPESA-N 0 1 394.434 3.409 20 0 GGADMN CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCC[C@H]2C(=O)[O-])cn1 ZINC001597882158 989710815 /nfs/dbraw/zinc/71/08/15/989710815.db2.gz KCZKVEUVOJMGLB-CEWLAPEOSA-N 0 1 385.508 3.330 20 0 GGADMN CCn1cc([C@@H](O)C[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)Cc2ccccc2)cn1 ZINC001597882416 989712472 /nfs/dbraw/zinc/71/24/72/989712472.db2.gz PJHUERAKUDTWNP-FQEVSTJZSA-N 0 1 383.448 3.238 20 0 GGADMN CCn1cc(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c(-c2ccccc2)n1 ZINC001597887072 989730272 /nfs/dbraw/zinc/73/02/72/989730272.db2.gz BQKACLBLKZYGEH-QFIPXVFZSA-N 0 1 383.492 3.152 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])nn1 ZINC001590303705 989731187 /nfs/dbraw/zinc/73/11/87/989731187.db2.gz NJNBRSBFKCGFHO-QGZVFWFLSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)CC2 ZINC001590318395 989747935 /nfs/dbraw/zinc/74/79/35/989747935.db2.gz CRPQGNFKYDAHEM-UKRRQHHQSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C2 ZINC001590319259 989753648 /nfs/dbraw/zinc/75/36/48/989753648.db2.gz ZCLNJZWTVDTAAE-HIFRSBDPSA-N 0 1 382.407 3.358 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])n2)C[C@@H]1c1ccccc1 ZINC001590359959 989808548 /nfs/dbraw/zinc/80/85/48/989808548.db2.gz MBEDGTKVHOKIKE-MSOLQXFVSA-N 0 1 382.460 3.337 20 0 GGADMN CC(C)(C)OC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001590388571 989908529 /nfs/dbraw/zinc/90/85/29/989908529.db2.gz GQFBOEQMTDZTNM-LBPRGKRZSA-N 0 1 380.510 3.153 20 0 GGADMN CC(C)(C)OC[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001590388571 989908536 /nfs/dbraw/zinc/90/85/36/989908536.db2.gz GQFBOEQMTDZTNM-LBPRGKRZSA-N 0 1 380.510 3.153 20 0 GGADMN CC(C)(C)c1ccc(CCNC(=O)C[NH2+][C@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001590485445 990084041 /nfs/dbraw/zinc/08/40/41/990084041.db2.gz XFRQDRAEKURMFV-HSZRJFAPSA-N 0 1 397.519 3.018 20 0 GGADMN CN(C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001597991323 990091989 /nfs/dbraw/zinc/09/19/89/990091989.db2.gz ISNPKPOLVDLHJL-IMSXRSKXSA-N 0 1 392.499 3.368 20 0 GGADMN CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3ccc(C(=O)[O-])cn3)CC2)n1 ZINC001590532804 990144423 /nfs/dbraw/zinc/14/44/23/990144423.db2.gz MFRFXMQBYPVKAT-UHFFFAOYSA-N 0 1 389.521 3.103 20 0 GGADMN CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001590571483 990207826 /nfs/dbraw/zinc/20/78/26/990207826.db2.gz AQRCGTRLTLXNAF-JOCHJYFZSA-N 0 1 396.491 3.034 20 0 GGADMN CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001590571483 990207828 /nfs/dbraw/zinc/20/78/28/990207828.db2.gz AQRCGTRLTLXNAF-JOCHJYFZSA-N 0 1 396.491 3.034 20 0 GGADMN CN(C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1nc2ccccc2s1 ZINC001598023076 990220612 /nfs/dbraw/zinc/22/06/12/990220612.db2.gz RAYVLOJGLCSGAX-HZPDHXFCSA-N 0 1 395.484 3.059 20 0 GGADMN CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001598061737 990335474 /nfs/dbraw/zinc/33/54/74/990335474.db2.gz NLXYXLDOPPKTAN-FQEVSTJZSA-N 0 1 381.476 3.442 20 0 GGADMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)C1 ZINC001598065980 990348363 /nfs/dbraw/zinc/34/83/63/990348363.db2.gz CXRPHZOAXQXOOV-OAHLLOKOSA-N 0 1 385.464 3.374 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(=O)[O-] ZINC001590716678 990478853 /nfs/dbraw/zinc/47/88/53/990478853.db2.gz DQDKOACMJAJROH-RTBURBONSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)CC(=O)[O-] ZINC001590717830 990486461 /nfs/dbraw/zinc/48/64/61/990486461.db2.gz XDXCFVFWKKTGKF-UHFFFAOYSA-N 0 1 381.904 3.058 20 0 GGADMN CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)CC(=O)[O-] ZINC001590717830 990486463 /nfs/dbraw/zinc/48/64/63/990486463.db2.gz XDXCFVFWKKTGKF-UHFFFAOYSA-N 0 1 381.904 3.058 20 0 GGADMN CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCC1)[N@H+]1CCc2ccccc2C1 ZINC001590722724 990498468 /nfs/dbraw/zinc/49/84/68/990498468.db2.gz SBKREKUGCOTNFG-UHFFFAOYSA-N 0 1 387.524 3.158 20 0 GGADMN CC(C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)C(=O)[O-] ZINC001590743498 990541543 /nfs/dbraw/zinc/54/15/43/990541543.db2.gz PKWOLSXOAUSKNH-HYBUGGRVSA-N 0 1 394.515 3.303 20 0 GGADMN CC(C)(CO)[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1cccnc1 ZINC001590779589 990587072 /nfs/dbraw/zinc/58/70/72/990587072.db2.gz PLLWOHSJTCQZLU-MRXNPFEDSA-N 0 1 393.281 3.392 20 0 GGADMN CC(C)(CO)[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1cccnc1 ZINC001590779588 990587388 /nfs/dbraw/zinc/58/73/88/990587388.db2.gz PLLWOHSJTCQZLU-INIZCTEOSA-N 0 1 393.281 3.392 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC001598162295 990658542 /nfs/dbraw/zinc/65/85/42/990658542.db2.gz DFZDVJAXOVSXIP-MRXNPFEDSA-N 0 1 391.265 3.066 20 0 GGADMN CN(C)C(=O)c1ccccc1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001598162678 990662422 /nfs/dbraw/zinc/66/24/22/990662422.db2.gz IAGJMDBLRDKDIM-UHFFFAOYSA-N 0 1 376.403 3.144 20 0 GGADMN C[NH+](C)[C@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001598163672 990672229 /nfs/dbraw/zinc/67/22/29/990672229.db2.gz WTNNSHJJIMRHHN-HNNXBMFYSA-N 0 1 382.247 3.006 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccco1 ZINC001598171052 990704743 /nfs/dbraw/zinc/70/47/43/990704743.db2.gz RRCMRBMFWSDZJH-KRWDZBQOSA-N 0 1 386.452 3.002 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1Cl ZINC001598174230 990720691 /nfs/dbraw/zinc/72/06/91/990720691.db2.gz WYGOIXYZSREOGE-QGZVFWFLSA-N 0 1 391.855 3.228 20 0 GGADMN C[NH+](C)[C@H](CNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC001598176022 990726450 /nfs/dbraw/zinc/72/64/50/990726450.db2.gz JWHMKIWIWAFCJE-LJQANCHMSA-N 0 1 398.484 3.119 20 0 GGADMN CC(C)([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)c1cc(C(=O)[O-])on1 ZINC001590871009 990774880 /nfs/dbraw/zinc/77/48/80/990774880.db2.gz VCCDDNXFCFLQAD-DEOSSOPVSA-N 0 1 391.276 3.312 20 0 GGADMN CC(C)([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1cn(-c2ccccc2)nn1 ZINC001590871241 990775619 /nfs/dbraw/zinc/77/56/19/990775619.db2.gz IXHJNOUALNYBDF-UHFFFAOYSA-N 0 1 379.464 3.128 20 0 GGADMN CC(C)([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)c1cc(C(=O)[O-])on1 ZINC001590871329 990776476 /nfs/dbraw/zinc/77/64/76/990776476.db2.gz NCSXSJQXWRMGPH-UHFFFAOYSA-N 0 1 376.800 3.144 20 0 GGADMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001590893002 990823900 /nfs/dbraw/zinc/82/39/00/990823900.db2.gz PGVLZJKKYCXEIG-GFCCVEGCSA-N 0 1 398.290 3.470 20 0 GGADMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001590893193 990825114 /nfs/dbraw/zinc/82/51/14/990825114.db2.gz PGVLZJKKYCXEIG-LBPRGKRZSA-N 0 1 398.290 3.470 20 0 GGADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001590898889 990850599 /nfs/dbraw/zinc/85/05/99/990850599.db2.gz CQOYPAWXRRNUHR-UHFFFAOYSA-N 0 1 396.487 3.085 20 0 GGADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001590899134 990854244 /nfs/dbraw/zinc/85/42/44/990854244.db2.gz PVBFRWZNGZLIEQ-UHFFFAOYSA-N 0 1 383.492 3.331 20 0 GGADMN CC(C)=CC[N@H+](CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC001590921579 990911607 /nfs/dbraw/zinc/91/16/07/990911607.db2.gz PWWPRJJZLILDHE-UHFFFAOYSA-N 0 1 378.900 3.431 20 0 GGADMN CC(C)=CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC001590921579 990911612 /nfs/dbraw/zinc/91/16/12/990911612.db2.gz PWWPRJJZLILDHE-UHFFFAOYSA-N 0 1 378.900 3.431 20 0 GGADMN COc1cccc(Sc2ccccc2CN2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1 ZINC001599683953 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C[N@@H+](CCCNC(=O)C1CCC1)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598479708 992128458 /nfs/dbraw/zinc/12/84/58/992128458.db2.gz LBAREPYUXQMQQU-UHFFFAOYSA-N 0 1 387.505 3.247 20 0 GGADMN C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598481140 992151880 /nfs/dbraw/zinc/15/18/80/992151880.db2.gz HRDXXKVDZCMVKJ-CQSZACIVSA-N 0 1 376.375 3.076 20 0 GGADMN C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598481864 992165686 /nfs/dbraw/zinc/16/56/86/992165686.db2.gz KPSKQAQDCOQIGT-UHFFFAOYSA-N 0 1 376.840 3.378 20 0 GGADMN C[N@@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598481864 992165690 /nfs/dbraw/zinc/16/56/90/992165690.db2.gz KPSKQAQDCOQIGT-UHFFFAOYSA-N 0 1 376.840 3.378 20 0 GGADMN Cn1nc(CCC[N@@H+](C)Cc2cncc(C(=O)[O-])c2)cc1-c1ccc(F)cc1 ZINC001598483353 992183795 /nfs/dbraw/zinc/18/37/95/992183795.db2.gz SORWDRTUKZWITI-UHFFFAOYSA-N 0 1 382.439 3.384 20 0 GGADMN CC(C)CN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C(=O)[O-] ZINC001591285530 992224842 /nfs/dbraw/zinc/22/48/42/992224842.db2.gz WCDYGXQOOUTEAJ-CALCHBBNSA-N 0 1 390.524 3.257 20 0 GGADMN CC(C)CN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)(C)C(=O)[O-] ZINC001591285530 992224849 /nfs/dbraw/zinc/22/48/49/992224849.db2.gz WCDYGXQOOUTEAJ-CALCHBBNSA-N 0 1 390.524 3.257 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3C(=O)[O-])o2)s1 ZINC001599769506 992225410 /nfs/dbraw/zinc/22/54/10/992225410.db2.gz GKHZRTFCUMBQNO-UHFFFAOYSA-N 0 1 391.470 3.400 20 0 GGADMN CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cc1 ZINC001599769590 992226513 /nfs/dbraw/zinc/22/65/13/992226513.db2.gz LUAABZVIIXSGMG-OAHLLOKOSA-N 0 1 388.272 3.312 20 0 GGADMN C[N@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598487505 992226795 /nfs/dbraw/zinc/22/67/95/992226795.db2.gz SKDAZLJEWMCUNN-UHFFFAOYSA-N 0 1 384.476 3.189 20 0 GGADMN C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598487505 992226806 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FRMIJPMDOIZAOH-LZRUTDMSSA-N 0 1 399.318 3.325 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598490731 992287663 /nfs/dbraw/zinc/28/76/63/992287663.db2.gz CWUWLBLXVAUGAA-CYBMUJFWSA-N 0 1 376.375 3.288 20 0 GGADMN CC(C)C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccccc1F ZINC001591339233 992315688 /nfs/dbraw/zinc/31/56/88/992315688.db2.gz BTJDTRNFCMAGEH-ZDLGFXPLSA-N 0 1 380.485 3.175 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)Cc1ccc(F)cc1 ZINC001598492438 992317120 /nfs/dbraw/zinc/31/71/20/992317120.db2.gz LQUNDSFKMKNPOC-UHFFFAOYSA-N 0 1 381.354 3.056 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC001598492471 992318662 /nfs/dbraw/zinc/31/86/62/992318662.db2.gz MDCPZYMOCDWBHC-RBUKOAKNSA-N 0 1 385.439 3.267 20 0 GGADMN C[N@@H+](CCNC(=O)c1ccccc1Nc1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC001598492917 992326854 /nfs/dbraw/zinc/32/68/54/992326854.db2.gz OHMOXJKJABQQEY-UHFFFAOYSA-N 0 1 396.274 3.483 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@@H](O)c1ccc(F)cc1 ZINC001591344145 992329274 /nfs/dbraw/zinc/32/92/74/992329274.db2.gz PBTHNTMICGEIHA-HXUWFJFHSA-N 0 1 375.440 3.481 20 0 GGADMN C[S@](=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)cc1 ZINC001599779162 992343542 /nfs/dbraw/zinc/34/35/42/992343542.db2.gz UQWOUTAXPFSVAY-QHCPKHFHSA-N 0 1 396.306 3.273 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1 ZINC001591364496 992357761 /nfs/dbraw/zinc/35/77/61/992357761.db2.gz FHQLVSRTHDIHCA-WMZOPIPTSA-N 0 1 375.513 3.439 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591364841 992365140 /nfs/dbraw/zinc/36/51/40/992365140.db2.gz QVQOVKMAMILFCH-CYBMUJFWSA-N 0 1 387.249 3.345 20 0 GGADMN CS(C)(=O)=NCC1CC[NH+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001599781794 992374289 /nfs/dbraw/zinc/37/42/89/992374289.db2.gz WJDXQDLVHPABSY-HNNXBMFYSA-N 0 1 376.881 3.044 20 0 GGADMN C[N@@H+](CCOc1cc(F)cc(Br)c1)Cc1ccc(C(=O)[O-])cn1 ZINC001598497652 992385908 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378.199 3.319 20 0 GGADMN C[N@@H+](CC[S@](=O)C(F)(F)F)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598499342 992410314 /nfs/dbraw/zinc/41/03/14/992410314.db2.gz RBFFOWZHNSJTQK-STFLBKPXSA-N 0 1 378.199 3.319 20 0 GGADMN C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001598499544 992414012 /nfs/dbraw/zinc/41/40/12/992414012.db2.gz FKMRRVNEVFSQLO-UHFFFAOYSA-N 0 1 395.415 3.136 20 0 GGADMN CC(C)COC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001591384905 992436447 /nfs/dbraw/zinc/43/64/47/992436447.db2.gz XXFWQNFJLFRAAM-HNNXBMFYSA-N 0 1 388.386 3.241 20 0 GGADMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001598501525 992441903 /nfs/dbraw/zinc/44/19/03/992441903.db2.gz JHOACSCHRHQUFO-KRWDZBQOSA-N 0 1 385.439 3.305 20 0 GGADMN CC(C)COC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC001591391341 992451755 /nfs/dbraw/zinc/45/17/55/992451755.db2.gz WTCUXXWMFLBGSO-UHFFFAOYSA-N 0 1 394.537 3.401 20 0 GGADMN C[N@@H+](C[C@@H](O)CCOCc1ccccc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598503388 992465713 /nfs/dbraw/zinc/46/57/13/992465713.db2.gz IIAWBNXNXJMMCK-HNAYVOBHSA-N 0 1 397.393 3.129 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001598506195 992506497 /nfs/dbraw/zinc/50/64/97/992506497.db2.gz YRAIMUAGVCNKLS-GDZNZVCISA-N 0 1 382.863 3.013 20 0 GGADMN C[N@@H+](Cc1cc(CO)ccc1F)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598507023 992517763 /nfs/dbraw/zinc/51/77/63/992517763.db2.gz MNYALFQBOIMZGH-INIZCTEOSA-N 0 1 382.229 3.338 20 0 GGADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)C[C@@H](O)c1cccc(Br)c1 ZINC001598507418 992523067 /nfs/dbraw/zinc/52/30/67/992523067.db2.gz PSLCCHFSLALURW-MRXNPFEDSA-N 0 1 382.229 3.452 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001591441623 992535885 /nfs/dbraw/zinc/53/58/85/992535885.db2.gz DGLNNAWNFZRAOA-PWRODBHTSA-N 0 1 386.536 3.398 20 0 GGADMN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001591441689 992537068 /nfs/dbraw/zinc/53/70/68/992537068.db2.gz IRGQAPTYPSKTOJ-RZTRGMPVSA-N 0 1 384.520 3.006 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](O)c1ccccc1Br ZINC001598509196 992546433 /nfs/dbraw/zinc/54/64/33/992546433.db2.gz HKRTXGPUJMQBHF-MRXNPFEDSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001598513064 992582853 /nfs/dbraw/zinc/58/28/53/992582853.db2.gz LFXIOURPSMTSLS-UHFFFAOYSA-N 0 1 377.481 3.080 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1F)C[C@@H](O)c1ccccc1Br ZINC001598513627 992592500 /nfs/dbraw/zinc/59/25/00/992592500.db2.gz QCWLJBDXXCFNAD-MRXNPFEDSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001598515988 992617399 /nfs/dbraw/zinc/61/73/99/992617399.db2.gz WXOGUYSGLYYHMY-UHFFFAOYSA-N 0 1 397.475 3.260 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001598517382 992633124 /nfs/dbraw/zinc/63/31/24/992633124.db2.gz HHCDWGHMYIBVMP-QLFBSQMISA-N 0 1 384.929 3.325 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001598517385 992634212 /nfs/dbraw/zinc/63/42/12/992634212.db2.gz HHCDWGHMYIBVMP-SOUVJXGZSA-N 0 1 384.929 3.325 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC001598518463 992648571 /nfs/dbraw/zinc/64/85/71/992648571.db2.gz DVOVJHNEYBHSCS-MRXNPFEDSA-N 0 1 382.229 3.452 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001598523388 992687604 /nfs/dbraw/zinc/68/76/04/992687604.db2.gz CQUVXVVHLDIPHI-QGZVFWFLSA-N 0 1 383.366 3.334 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cn1 ZINC001598523809 992693783 /nfs/dbraw/zinc/69/37/83/992693783.db2.gz OZELJINQRHWPHE-NRFANRHFSA-N 0 1 383.423 3.244 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cn1 ZINC001598523809 992693784 /nfs/dbraw/zinc/69/37/84/992693784.db2.gz OZELJINQRHWPHE-NRFANRHFSA-N 0 1 383.423 3.244 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001598523999 992696516 /nfs/dbraw/zinc/69/65/16/992696516.db2.gz UHHLYTUALVYJGP-UHFFFAOYSA-N 0 1 395.358 3.112 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001598523999 992696520 /nfs/dbraw/zinc/69/65/20/992696520.db2.gz UHHLYTUALVYJGP-UHFFFAOYSA-N 0 1 395.358 3.112 20 0 GGADMN C[N@@H+](Cc1ccc2nc(NC(=O)c3csc(C(=O)[O-])n3)sc2c1)C1CC1 ZINC001598524392 992700684 /nfs/dbraw/zinc/70/06/84/992700684.db2.gz CXYJNYUEZRZTSJ-UHFFFAOYSA-N 0 1 388.474 3.298 20 0 GGADMN C[N@@H+](Cc1ccc2nc(NC(=O)NCC(C)(C)C(=O)[O-])sc2c1)C1CC1 ZINC001598524865 992706807 /nfs/dbraw/zinc/70/68/07/992706807.db2.gz WXSCLNULIVCFGY-UHFFFAOYSA-N 0 1 376.482 3.123 20 0 GGADMN CC(C)N(C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CCCC1 ZINC001591539076 992719330 /nfs/dbraw/zinc/71/93/30/992719330.db2.gz TVYQSNPFBFXUPO-UHFFFAOYSA-N 0 1 382.451 3.421 20 0 GGADMN CC(C)N(C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CCCC1 ZINC001591539076 992719336 /nfs/dbraw/zinc/71/93/36/992719336.db2.gz TVYQSNPFBFXUPO-UHFFFAOYSA-N 0 1 382.451 3.421 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccccc1CC(=O)[O-])C1CC1 ZINC001598526974 992731599 /nfs/dbraw/zinc/73/15/99/992731599.db2.gz IUTNUMSHYYQXBZ-OAQYLSRUSA-N 0 1 395.503 3.024 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)C1CC1 ZINC001598527006 992732854 /nfs/dbraw/zinc/73/28/54/992732854.db2.gz LAHCZTWRGSFJDY-IBGZPJMESA-N 0 1 387.524 3.231 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001598527024 992733008 /nfs/dbraw/zinc/73/30/08/992733008.db2.gz MUYXZALANBOKRQ-OAQYLSRUSA-N 0 1 395.503 3.137 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CC1 ZINC001598527081 992733964 /nfs/dbraw/zinc/73/39/64/992733964.db2.gz OGJWRQPZFADYQO-YZUZCNPQSA-N 0 1 392.499 3.272 20 0 GGADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2nccnc2C(=O)[O-])CC1 ZINC001598527131 992734644 /nfs/dbraw/zinc/73/46/44/992734644.db2.gz IKGQYNPTLCBCPI-UHFFFAOYSA-N 0 1 394.397 3.294 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCCC1 ZINC001598527543 992738757 /nfs/dbraw/zinc/73/87/57/992738757.db2.gz PYTSXDYHHSMTGU-MSYCTHLASA-N 0 1 399.535 3.374 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CC1 ZINC001598527753 992742236 /nfs/dbraw/zinc/74/22/36/992742236.db2.gz YPQAFGHMQOPAFC-FQEVSTJZSA-N 0 1 397.475 3.182 20 0 GGADMN C[N@H+](Cc1ccccc1)C[C@H](CN1CCOC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001598528542 992748744 /nfs/dbraw/zinc/74/87/44/992748744.db2.gz FFOHKAZGEXFJFT-YADHBBJMSA-N 0 1 382.504 3.078 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001598528543 992748900 /nfs/dbraw/zinc/74/89/00/992748900.db2.gz FGHJYNVQOOCEPV-UHFFFAOYSA-N 0 1 382.464 3.156 20 0 GGADMN C[N@H+](Cc1ccccc1)C[C@H](CN1CCOC[C@H]1CC(=O)[O-])c1ccccc1 ZINC001598528540 992749293 /nfs/dbraw/zinc/74/92/93/992749293.db2.gz FFOHKAZGEXFJFT-FGZHOGPDSA-N 0 1 382.504 3.078 20 0 GGADMN CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN([C@@H](C(=O)[O-])c3ccsc3)C2)ccn1 ZINC001591555957 992750761 /nfs/dbraw/zinc/75/07/61/992750761.db2.gz PLPXRKPVRHKKJP-RBUKOAKNSA-N 0 1 389.521 3.262 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001598528743 992751174 /nfs/dbraw/zinc/75/11/74/992751174.db2.gz KXBSRPJLWNIRRP-HXUWFJFHSA-N 0 1 395.503 3.364 20 0 GGADMN Cn1c2ccc(F)cc2c(CN2CC([N@@H+](C)Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598528935 992753133 /nfs/dbraw/zinc/75/31/33/992753133.db2.gz PMSRSUZBDLRQBL-UHFFFAOYSA-N 0 1 381.451 3.332 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001598528961 992753730 /nfs/dbraw/zinc/75/37/30/992753730.db2.gz RKTNQTIZXRRKQJ-HXUWFJFHSA-N 0 1 381.476 3.442 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591556462 992754385 /nfs/dbraw/zinc/75/43/85/992754385.db2.gz AXARBGNLMNEVAJ-UHFFFAOYSA-N 0 1 395.503 3.493 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1CN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001598529006 992754540 /nfs/dbraw/zinc/75/45/40/992754540.db2.gz RSLGSQUZKLIVTO-UHFFFAOYSA-N 0 1 379.254 3.057 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001598528990 992754563 /nfs/dbraw/zinc/75/45/63/992754563.db2.gz RQVJABJDHWQYOY-AWEZNQCLSA-N 0 1 389.402 3.401 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001591556550 992755494 /nfs/dbraw/zinc/75/54/94/992755494.db2.gz JECFYDDNFPMNMW-UHFFFAOYSA-N 0 1 395.503 3.493 20 0 GGADMN C[N@H+](Cc1ccccc1CC(=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC001598529467 992760549 /nfs/dbraw/zinc/76/05/49/992760549.db2.gz LPLKDOIWTJLRCZ-INIZCTEOSA-N 0 1 397.393 3.204 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1 ZINC001598529596 992763082 /nfs/dbraw/zinc/76/30/82/992763082.db2.gz JMIXCIHBERGSTG-ROUUACIJSA-N 0 1 388.414 3.014 20 0 GGADMN CC(C)[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC001591561460 992765251 /nfs/dbraw/zinc/76/52/51/992765251.db2.gz SMCXRUHNWZABPI-HXUWFJFHSA-N 0 1 384.451 3.074 20 0 GGADMN C[N@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598530304 992770995 /nfs/dbraw/zinc/77/09/95/992770995.db2.gz UJBYWUAFHUPXTG-GOSISDBHSA-N 0 1 399.516 3.284 20 0 GGADMN C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598530304 992771000 /nfs/dbraw/zinc/77/10/00/992771000.db2.gz UJBYWUAFHUPXTG-GOSISDBHSA-N 0 1 399.516 3.284 20 0 GGADMN C[N@H+](Cc1ccccc1N1CCCC1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598530305 992771277 /nfs/dbraw/zinc/77/12/77/992771277.db2.gz UJBYWUAFHUPXTG-SFHVURJKSA-N 0 1 399.516 3.284 20 0 GGADMN C[N@@H+](Cc1ccccc1N1CCCC1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598530305 992771280 /nfs/dbraw/zinc/77/12/80/992771280.db2.gz UJBYWUAFHUPXTG-SFHVURJKSA-N 0 1 399.516 3.284 20 0 GGADMN C[N@H+](Cc1ccccc1OCC(=O)[O-])C[C@@H](O)c1ccccc1Br ZINC001598530618 992774756 /nfs/dbraw/zinc/77/47/56/992774756.db2.gz OEVQLYDNLQBHEQ-MRXNPFEDSA-N 0 1 394.265 3.078 20 0 GGADMN C[N@@H+](Cc1ccnc2c(C(=O)[O-])cccc12)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001598531216 992783529 /nfs/dbraw/zinc/78/35/29/992783529.db2.gz BVVKRIRNEDXZJX-LJQANCHMSA-N 0 1 393.418 3.309 20 0 GGADMN Cn1cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])c3cccnc23)c(C(F)(F)F)n1 ZINC001598533119 992812306 /nfs/dbraw/zinc/81/23/06/992812306.db2.gz DYXPXTPXUODNMG-UHFFFAOYSA-N 0 1 378.354 3.317 20 0 GGADMN C[N@@H+](Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C[C@]1(O)CCc2ccccc21 ZINC001598533480 992817802 /nfs/dbraw/zinc/81/78/02/992817802.db2.gz LPNYDRULIMLBIH-JOCHJYFZSA-N 0 1 378.428 3.306 20 0 GGADMN CC(C)[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC001591595316 992818076 /nfs/dbraw/zinc/81/80/76/992818076.db2.gz LIJGVVDNYVTBHA-XFXZXTDPSA-N 0 1 388.508 3.276 20 0 GGADMN C[N@@H+](Cc1cn(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)nn1)C(C)(C)C ZINC001598533537 992818470 /nfs/dbraw/zinc/81/84/70/992818470.db2.gz QEPZEHNFSQDXIU-UHFFFAOYSA-N 0 1 385.493 3.378 20 0 GGADMN CC(C)[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC001591595314 992818557 /nfs/dbraw/zinc/81/85/57/992818557.db2.gz LIJGVVDNYVTBHA-FMIVXFBMSA-N 0 1 388.508 3.276 20 0 GGADMN Cn1cc(C[N@@H+](C)Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])c(C(F)(F)F)n1 ZINC001598534547 992835226 /nfs/dbraw/zinc/83/52/26/992835226.db2.gz ZIIHLQBVJWXWCJ-UHFFFAOYSA-N 0 1 398.360 3.400 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001591617021 992874279 /nfs/dbraw/zinc/87/42/79/992874279.db2.gz SWQGEEXUVUJYRQ-HOTGVXAUSA-N 0 1 397.878 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001591617021 992874286 /nfs/dbraw/zinc/87/42/86/992874286.db2.gz SWQGEEXUVUJYRQ-HOTGVXAUSA-N 0 1 397.878 3.167 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccc(F)c(F)c1 ZINC001591622921 992892684 /nfs/dbraw/zinc/89/26/84/992892684.db2.gz LOXHHQIQHYVVMM-DOTOQJQBSA-N 0 1 378.375 3.210 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccc(F)c(F)c1 ZINC001591622921 992892688 /nfs/dbraw/zinc/89/26/88/992892688.db2.gz LOXHHQIQHYVVMM-DOTOQJQBSA-N 0 1 378.375 3.210 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccc(F)c(F)c1 ZINC001591622923 992892805 /nfs/dbraw/zinc/89/28/05/992892805.db2.gz LOXHHQIQHYVVMM-RDJZCZTQSA-N 0 1 378.375 3.210 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccc(F)c(F)c1 ZINC001591622923 992892811 /nfs/dbraw/zinc/89/28/11/992892811.db2.gz LOXHHQIQHYVVMM-RDJZCZTQSA-N 0 1 378.375 3.210 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)C1 ZINC001591623284 992895794 /nfs/dbraw/zinc/89/57/94/992895794.db2.gz SAHQIMUFKXYPJE-HNNXBMFYSA-N 0 1 386.414 3.239 20 0 GGADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001591624091 992904598 /nfs/dbraw/zinc/90/45/98/992904598.db2.gz JWDAEPHXVSTSKV-APWZRJJASA-N 0 1 387.524 3.224 20 0 GGADMN CC(C)[N@H+]1CCCC[C@@H]1CSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001591629026 992916222 /nfs/dbraw/zinc/91/62/22/992916222.db2.gz DRDVGGTZXRKDEP-OAHLLOKOSA-N 0 1 389.521 3.226 20 0 GGADMN CC(C)N1CC[NH+](CCCSc2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC001591633715 992940039 /nfs/dbraw/zinc/94/00/39/992940039.db2.gz VXWHTKPSJOSZBQ-UHFFFAOYSA-N 0 1 391.459 3.307 20 0 GGADMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC001591636049 992947413 /nfs/dbraw/zinc/94/74/13/992947413.db2.gz XJCTXMIAEZREPJ-FQEVSTJZSA-N 0 1 385.508 3.023 20 0 GGADMN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001591657369 992990658 /nfs/dbraw/zinc/99/06/58/992990658.db2.gz NLXPSGCSSZQIOP-MRXNPFEDSA-N 0 1 387.505 3.245 20 0 GGADMN C[N@H+]1C[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C(C)(C)C1 ZINC001598567991 993164311 /nfs/dbraw/zinc/16/43/11/993164311.db2.gz MVTVKIJSLCEUNM-KRWDZBQOSA-N 0 1 388.489 3.340 20 0 GGADMN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(Oc4ccnc(C(=O)[O-])c4)cc3)[C@@H]2C1 ZINC001598572789 993226402 /nfs/dbraw/zinc/22/64/02/993226402.db2.gz AOGVQGZGJSKMEL-VHSSKADRSA-N 0 1 396.447 3.034 20 0 GGADMN C[N@H+]1C[C@@]23CN(C(=O)Nc4cc(F)c(C(=O)[O-])c(F)c4)C[C@]2(C1)CCCC3 ZINC001598574422 993252768 /nfs/dbraw/zinc/25/27/68/993252768.db2.gz WTRICZMAYPISRG-KDURUIRLSA-N 0 1 379.407 3.003 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598583896 993355779 /nfs/dbraw/zinc/35/57/79/993355779.db2.gz KFAZMPIDSDIDHX-HOPMXRPOSA-N 0 1 396.890 3.479 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC001598585074 993370641 /nfs/dbraw/zinc/37/06/41/993370641.db2.gz CPCARNQBOCLEOU-PBHICJAKSA-N 0 1 375.375 3.230 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC001598585077 993370869 /nfs/dbraw/zinc/37/08/69/993370869.db2.gz CPCARNQBOCLEOU-YOEHRIQHSA-N 0 1 375.375 3.230 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585427 993375516 /nfs/dbraw/zinc/37/55/16/993375516.db2.gz GSROXBJJHNONPM-NQIIRXRSSA-N 0 1 395.434 3.109 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585427 993375519 /nfs/dbraw/zinc/37/55/19/993375519.db2.gz GSROXBJJHNONPM-NQIIRXRSSA-N 0 1 395.434 3.109 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001598585755 993379607 /nfs/dbraw/zinc/37/96/07/993379607.db2.gz JSIGYKTXBQLJIA-UYAOXDASSA-N 0 1 385.439 3.410 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001598586665 993393508 /nfs/dbraw/zinc/39/35/08/993393508.db2.gz QBHBTYKUDFMWHV-IAGOWNOFSA-N 0 1 375.375 3.230 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC001598586665 993393514 /nfs/dbraw/zinc/39/35/14/993393514.db2.gz QBHBTYKUDFMWHV-IAGOWNOFSA-N 0 1 375.375 3.230 20 0 GGADMN 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ZINC001598618512 993943804 /nfs/dbraw/zinc/94/38/04/993943804.db2.gz JRDALBUHQNOMPV-ZAGZISDZSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618512 993943813 /nfs/dbraw/zinc/94/38/13/993943813.db2.gz JRDALBUHQNOMPV-ZAGZISDZSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598618512 993943820 /nfs/dbraw/zinc/94/38/20/993943820.db2.gz JRDALBUHQNOMPV-ZAGZISDZSA-N 0 1 380.488 3.022 20 0 GGADMN CN1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618792 993952811 /nfs/dbraw/zinc/95/28/11/993952811.db2.gz VTNXPHTUYCFYNR-ZRFOIIEFSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618792 993952825 /nfs/dbraw/zinc/95/28/25/993952825.db2.gz VTNXPHTUYCFYNR-ZRFOIIEFSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618792 993952838 /nfs/dbraw/zinc/95/28/38/993952838.db2.gz VTNXPHTUYCFYNR-ZRFOIIEFSA-N 0 1 380.488 3.022 20 0 GGADMN CN1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618790 993953226 /nfs/dbraw/zinc/95/32/26/993953226.db2.gz VTNXPHTUYCFYNR-ZAGZISDZSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618790 993953239 /nfs/dbraw/zinc/95/32/39/993953239.db2.gz VTNXPHTUYCFYNR-ZAGZISDZSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC001598618790 993953244 /nfs/dbraw/zinc/95/32/44/993953244.db2.gz VTNXPHTUYCFYNR-ZAGZISDZSA-N 0 1 380.488 3.022 20 0 GGADMN C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)s2)CC1 ZINC001598620233 993993207 /nfs/dbraw/zinc/99/32/07/993993207.db2.gz XWXSKFSWIIGBDS-UHFFFAOYSA-N 0 1 393.896 3.099 20 0 GGADMN C[N@H+]1CCN(Cc2oc(Br)cc2C(=O)[O-])C[C@@H]1Cc1ccccc1 ZINC001598622032 994020734 /nfs/dbraw/zinc/02/07/34/994020734.db2.gz YOYLAHVSXSFYMU-AWEZNQCLSA-N 0 1 393.281 3.099 20 0 GGADMN C[N@H+]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC001598622625 994030333 /nfs/dbraw/zinc/03/03/33/994030333.db2.gz UAHOBYUXZYMSIX-CQSZACIVSA-N 0 1 379.382 3.162 20 0 GGADMN C[N@H+]1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C[C@@H](C(=O)[O-])C1 ZINC001598622853 994035098 /nfs/dbraw/zinc/03/50/98/994035098.db2.gz HWDRUQVSFUZURF-HNNXBMFYSA-N 0 1 396.878 3.403 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)cc2Cl)CC1 ZINC001598624274 994060548 /nfs/dbraw/zinc/06/05/48/994060548.db2.gz HTWACUYWZIHKJX-UHFFFAOYSA-N 0 1 391.830 3.181 20 0 GGADMN COc1ccc([C@@H]2C[N@@H+](C/C=C(/C)C(=O)[O-])C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001599620188 994070261 /nfs/dbraw/zinc/07/02/61/994070261.db2.gz IILHYKQWSSLRNW-IWKOPCCSSA-N 0 1 390.480 3.019 20 0 GGADMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593194732 994140754 /nfs/dbraw/zinc/14/07/54/994140754.db2.gz MFDAGBHAMWEMGE-YVEFUNNKSA-N 0 1 396.896 3.067 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(C(=O)[O-])o1 ZINC001593196247 994153355 /nfs/dbraw/zinc/15/33/55/994153355.db2.gz GYIVBSAAHOMIAD-QWHCGFSZSA-N 0 1 376.428 3.490 20 0 GGADMN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001598632639 994195133 /nfs/dbraw/zinc/19/51/33/994195133.db2.gz HJURRVMLYLDCGJ-SMDDNHRTSA-N 0 1 399.196 3.120 20 0 GGADMN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001598632637 994195168 /nfs/dbraw/zinc/19/51/68/994195168.db2.gz HJURRVMLYLDCGJ-RISCZKNCSA-N 0 1 399.196 3.120 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001593207632 994217728 /nfs/dbraw/zinc/21/77/28/994217728.db2.gz DUWZEJYTMHWFQW-AMIZOPFISA-N 0 1 388.276 3.062 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001593207633 994217875 /nfs/dbraw/zinc/21/78/75/994217875.db2.gz DUWZEJYTMHWFQW-ISVAXAHUSA-N 0 1 388.276 3.062 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])c1ccccc1 ZINC001593207603 994217979 /nfs/dbraw/zinc/21/79/79/994217979.db2.gz DBAWVOSGXIYMOH-ZRGWGRIASA-N 0 1 380.444 3.284 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)N1CCc2sccc2C1 ZINC001593208184 994221526 /nfs/dbraw/zinc/22/15/26/994221526.db2.gz GUHBVXSTRJPQED-GUYCJALGSA-N 0 1 398.484 3.053 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001593208247 994222138 /nfs/dbraw/zinc/22/21/38/994222138.db2.gz HFOASNQUDCGXGW-AMIZOPFISA-N 0 1 388.276 3.062 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001593208249 994222329 /nfs/dbraw/zinc/22/23/29/994222329.db2.gz HFOASNQUDCGXGW-ISVAXAHUSA-N 0 1 388.276 3.062 20 0 GGADMN C[C@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC001593209223 994235842 /nfs/dbraw/zinc/23/58/42/994235842.db2.gz LMDQGCLCAAAESK-SDBXPKJASA-N 0 1 388.276 3.062 20 0 GGADMN C[C@@H]([NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC001593211167 994262817 /nfs/dbraw/zinc/26/28/17/994262817.db2.gz VORKDLCXEBPWEO-IAQYHMDHSA-N 0 1 387.823 3.094 20 0 GGADMN C[C@H]([NH2+][C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC001593211425 994267118 /nfs/dbraw/zinc/26/71/18/994267118.db2.gz XDIKZLIHCWYEHY-IFXJQAMLSA-N 0 1 395.484 3.423 20 0 GGADMN C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593211509 994269294 /nfs/dbraw/zinc/26/92/94/994269294.db2.gz ZTUJOIUWAFVQQP-TURKWSHLSA-N 0 1 379.869 3.117 20 0 GGADMN C[C@H](NC1CC[NH+](CCCC(=O)[O-])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001593218155 994281429 /nfs/dbraw/zinc/28/14/29/994281429.db2.gz GEJBECYRKDBIEU-INIZCTEOSA-N 0 1 389.496 3.013 20 0 GGADMN C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC001593218155 994281440 /nfs/dbraw/zinc/28/14/40/994281440.db2.gz GEJBECYRKDBIEU-INIZCTEOSA-N 0 1 389.496 3.013 20 0 GGADMN CNC(=O)C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC001598640228 994307332 /nfs/dbraw/zinc/30/73/32/994307332.db2.gz VUBNMPZHTDFGKV-MRXNPFEDSA-N 0 1 391.265 3.114 20 0 GGADMN CNC(=O)C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC001598640227 994307505 /nfs/dbraw/zinc/30/75/05/994307505.db2.gz VUBNMPZHTDFGKV-INIZCTEOSA-N 0 1 391.265 3.114 20 0 GGADMN COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3C[C@H]3CC(C(=O)[O-])=C(C)O3)n2)c1 ZINC001599638352 994321934 /nfs/dbraw/zinc/32/19/34/994321934.db2.gz KAXZPYBODFGSLG-APWZRJJASA-N 0 1 383.448 3.370 20 0 GGADMN COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3C[C@H]3CC(C(=O)[O-])=C(C)O3)n2)c1 ZINC001599638352 994321944 /nfs/dbraw/zinc/32/19/44/994321944.db2.gz KAXZPYBODFGSLG-APWZRJJASA-N 0 1 383.448 3.370 20 0 GGADMN COc1cccc(-c2nn(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)c(=S)o2)c1 ZINC001599638917 994329815 /nfs/dbraw/zinc/32/98/15/994329815.db2.gz GVHVYLKMERFVAP-AWEZNQCLSA-N 0 1 375.450 3.025 20 0 GGADMN CNC(=O)C[N@@H+](CCc1ccccc1C(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001598642308 994331974 /nfs/dbraw/zinc/33/19/74/994331974.db2.gz NOEMZMYOLKURQF-UHFFFAOYSA-N 0 1 394.393 3.194 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593222546 994334944 /nfs/dbraw/zinc/33/49/44/994334944.db2.gz KVZKSVVMUCGAGD-SLEUVZQESA-N 0 1 391.468 3.383 20 0 GGADMN COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001599639919 994342570 /nfs/dbraw/zinc/34/25/70/994342570.db2.gz CEBMCFNWCSTTHH-WOJBJXKFSA-N 0 1 377.444 3.386 20 0 GGADMN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598643053 994343127 /nfs/dbraw/zinc/34/31/27/994343127.db2.gz WBDFSHWTRZYJST-HOCLYGCPSA-N 0 1 386.414 3.144 20 0 GGADMN COc1cccc(-n2nc(C)c([C@@H]3COCC[N@@H+]3CC3(CC(=O)[O-])CC3)c2C)c1 ZINC001599640046 994345089 /nfs/dbraw/zinc/34/50/89/994345089.db2.gz COBAGQJTGGNVJF-IBGZPJMESA-N 0 1 399.491 3.126 20 0 GGADMN COc1cccc(-n2nc(C)c([C@@H]3COCC[N@H+]3CC3(CC(=O)[O-])CC3)c2C)c1 ZINC001599640046 994345092 /nfs/dbraw/zinc/34/50/92/994345092.db2.gz COBAGQJTGGNVJF-IBGZPJMESA-N 0 1 399.491 3.126 20 0 GGADMN C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ncc(C(=O)[O-])s1 ZINC001593230022 994357003 /nfs/dbraw/zinc/35/70/03/994357003.db2.gz AUNAQNOOLUBNFB-MWLCHTKSSA-N 0 1 399.394 3.012 20 0 GGADMN C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ncc(C(=O)[O-])s1 ZINC001593230020 994357073 /nfs/dbraw/zinc/35/70/73/994357073.db2.gz AUNAQNOOLUBNFB-GXSJLCMTSA-N 0 1 399.394 3.012 20 0 GGADMN C[C@H]([NH2+]CC(=O)N1CCC(C(=O)[O-])CC1)c1cc(Cl)cc(Cl)c1F ZINC001593233057 994389868 /nfs/dbraw/zinc/38/98/68/994389868.db2.gz ZFWQYXYSKGFRHV-VIFPVBQESA-N 0 1 377.243 3.106 20 0 GGADMN COc1cccc(C(=O)[O-])c1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001599644582 994406826 /nfs/dbraw/zinc/40/68/26/994406826.db2.gz JVJYFXKXBGXYIY-NSHDSACASA-N 0 1 381.354 3.192 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCC(=O)N2CCCc3ccccc32)c1 ZINC001599646575 994432521 /nfs/dbraw/zinc/43/25/21/994432521.db2.gz AIHREQYIMKPDSV-OAQYLSRUSA-N 0 1 382.460 3.122 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001599646585 994433115 /nfs/dbraw/zinc/43/31/15/994433115.db2.gz ANFUQIRPPCOAAY-QGZVFWFLSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC001599646706 994434285 /nfs/dbraw/zinc/43/42/85/994434285.db2.gz DQNVFPOFOMXFLD-INIZCTEOSA-N 0 1 380.485 3.304 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC001593246736 994457026 /nfs/dbraw/zinc/45/70/26/994457026.db2.gz OJXXLMAHJLVGNZ-PBHICJAKSA-N 0 1 382.416 3.130 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 ZINC001599648939 994466706 /nfs/dbraw/zinc/46/67/06/994466706.db2.gz AVACPFUZINJGTK-HZPDHXFCSA-N 0 1 378.469 3.056 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2cnc(Br)c(C)c2)c1 ZINC001599649751 994479230 /nfs/dbraw/zinc/47/92/30/994479230.db2.gz GRGABMSBSUYJFP-OAHLLOKOSA-N 0 1 379.254 3.419 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC001599649859 994480142 /nfs/dbraw/zinc/48/01/42/994480142.db2.gz IWCAGRLIVIBAHR-FQEVSTJZSA-N 0 1 382.460 3.189 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001599650256 994487765 /nfs/dbraw/zinc/48/77/65/994487765.db2.gz LPBHUPPCVXPBES-RRQGHBQHSA-N 0 1 378.469 3.056 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC001599650333 994488717 /nfs/dbraw/zinc/48/87/17/994488717.db2.gz KUTCOTVHZICMGQ-LJQANCHMSA-N 0 1 376.403 3.311 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650784 994495621 /nfs/dbraw/zinc/49/56/21/994495621.db2.gz OAAXGUZWENQIFK-RDJZCZTQSA-N 0 1 378.469 3.152 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)c1 ZINC001599655424 994571313 /nfs/dbraw/zinc/57/13/13/994571313.db2.gz QMEZSDWKWWUHTG-ROUUACIJSA-N 0 1 398.503 3.426 20 0 GGADMN COc1cccc([C@H](O)C[N@H+](Cc2cc(C(=O)[O-])no2)Cc2ccccc2)c1 ZINC001599657993 994611520 /nfs/dbraw/zinc/61/15/20/994611520.db2.gz ANXNFDWDJBQOCM-HXUWFJFHSA-N 0 1 382.416 3.117 20 0 GGADMN COc1cccc([C@H](O)C[N@@H+](Cc2cc(C(=O)[O-])no2)Cc2ccccc2)c1 ZINC001599657993 994611526 /nfs/dbraw/zinc/61/15/26/994611526.db2.gz ANXNFDWDJBQOCM-HXUWFJFHSA-N 0 1 382.416 3.117 20 0 GGADMN C[C@@]([NH2+]Cc1cc(=O)n2ccsc2n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593288452 994656980 /nfs/dbraw/zinc/65/69/80/994656980.db2.gz JXWVZHZDPBFLPI-INIZCTEOSA-N 0 1 398.271 3.152 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])n(C)c1)c1cc2c(cc1Br)OCCO2 ZINC001593289727 994666645 /nfs/dbraw/zinc/66/66/45/994666645.db2.gz WEZQHXQHBIAZIY-SNVBAGLBSA-N 0 1 395.253 3.108 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599664670 994709480 /nfs/dbraw/zinc/70/94/80/994709480.db2.gz CMELJDMZMYHTSB-FXAWDEMLSA-N 0 1 397.475 3.046 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC001599664816 994711604 /nfs/dbraw/zinc/71/16/04/994711604.db2.gz DFSMGHABTGDATL-PMACEKPBSA-N 0 1 395.459 3.493 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC001599664826 994712047 /nfs/dbraw/zinc/71/20/47/994712047.db2.gz DFSMGHABTGDATL-VQTJNVASSA-N 0 1 395.459 3.493 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C2CC2)c1 ZINC001599665452 994722098 /nfs/dbraw/zinc/72/20/98/994722098.db2.gz GANJVFUDSXRPLT-WOJBJXKFSA-N 0 1 398.434 3.240 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(I)c1)c1ncc(C(=O)[O-])s1 ZINC001593303825 994738652 /nfs/dbraw/zinc/73/86/52/994738652.db2.gz GNVLGPWOUSEVSJ-QMMMGPOBSA-N 0 1 388.230 3.297 20 0 GGADMN COc1cccc([C@H]2CC(=O)N(C[N@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])C2)c1 ZINC001599666825 994743144 /nfs/dbraw/zinc/74/31/44/994743144.db2.gz KQEZUBYINLQRLL-XLIONFOSSA-N 0 1 396.487 3.192 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599667611 994756571 /nfs/dbraw/zinc/75/65/71/994756571.db2.gz RMTARISVQRNNDV-FXAWDEMLSA-N 0 1 397.475 3.046 20 0 GGADMN C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311540 994783943 /nfs/dbraw/zinc/78/39/43/994783943.db2.gz HLPOCZCYBCZNAW-NSHDSACASA-N 0 1 387.823 3.303 20 0 GGADMN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccc(OC(F)F)cc1 ZINC001593311541 994784791 /nfs/dbraw/zinc/78/47/91/994784791.db2.gz HONYGFFBVHBUIV-JTQLQIEISA-N 0 1 389.358 3.486 20 0 GGADMN C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311647 994785238 /nfs/dbraw/zinc/78/52/38/994785238.db2.gz SAUKRYDTPLKCRD-CYBMUJFWSA-N 0 1 386.839 3.235 20 0 GGADMN C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593316398 994810133 /nfs/dbraw/zinc/81/01/33/994810133.db2.gz HDARHSMMIONWKE-LLVKDONJSA-N 0 1 387.823 3.303 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001599671733 994823971 /nfs/dbraw/zinc/82/39/71/994823971.db2.gz MSSGCXFGIBEMSW-GOSISDBHSA-N 0 1 382.460 3.347 20 0 GGADMN COc1cccc(C[N@H+](Cc2nc(C(=O)[O-])cs2)C2CCC(O)CC2)c1 ZINC001599672575 994839919 /nfs/dbraw/zinc/83/99/19/994839919.db2.gz JVJOXFQUEXRYFA-UHFFFAOYSA-N 0 1 376.478 3.156 20 0 GGADMN COc1cccc(C[N@@H+](Cc2nc(C(=O)[O-])cs2)C2CCC(O)CC2)c1 ZINC001599672575 994839931 /nfs/dbraw/zinc/83/99/31/994839931.db2.gz JVJOXFQUEXRYFA-UHFFFAOYSA-N 0 1 376.478 3.156 20 0 GGADMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001598682527 994952199 /nfs/dbraw/zinc/95/21/99/994952199.db2.gz AAGAUGVTKUTPHP-SDMNGIDPSA-N 0 1 375.465 3.074 20 0 GGADMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001598682800 994957696 /nfs/dbraw/zinc/95/76/96/994957696.db2.gz HBDUJFYILGPCOO-ZDUSSCGKSA-N 0 1 390.455 3.427 20 0 GGADMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001598682955 994959470 /nfs/dbraw/zinc/95/94/70/994959470.db2.gz IRRAIEKKVNMYCH-AWEZNQCLSA-N 0 1 383.872 3.328 20 0 GGADMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001598689985 995048921 /nfs/dbraw/zinc/04/89/21/995048921.db2.gz UIKICLQVVLAYQS-DLBZAZTESA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001598689991 995049184 /nfs/dbraw/zinc/04/91/84/995049184.db2.gz UIKICLQVVLAYQS-SJORKVTESA-N 0 1 385.460 3.350 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC001598691487 995073745 /nfs/dbraw/zinc/07/37/45/995073745.db2.gz XWAHZDNCGZKOTA-SJORKVTESA-N 0 1 385.460 3.350 20 0 GGADMN C[C@@](O)(C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(Br)cc1F ZINC001593396549 995142624 /nfs/dbraw/zinc/14/26/24/995142624.db2.gz PNHPRBQDKDYIDE-OIISXLGYSA-N 0 1 386.261 3.125 20 0 GGADMN COC(=O)[C@@H](CC(C)C)[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001598698336 995178555 /nfs/dbraw/zinc/17/85/55/995178555.db2.gz PIUMBMBNWKOZCN-ARFHVFGLSA-N 0 1 398.297 3.137 20 0 GGADMN COC(=O)[C@@H](N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(C(=O)[O-])c1 ZINC001598706140 995289149 /nfs/dbraw/zinc/28/91/49/995289149.db2.gz OIQTZVQGSLNRAG-VLIAUNLRSA-N 0 1 393.443 3.444 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001598712895 995369128 /nfs/dbraw/zinc/36/91/28/995369128.db2.gz NVHPVWLMFGWEIK-PKOBYXMFSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001598713752 995379173 /nfs/dbraw/zinc/37/91/73/995379173.db2.gz REDLEKLSYSASQR-RTBURBONSA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598715504 995401288 /nfs/dbraw/zinc/40/12/88/995401288.db2.gz HUYLKCIMKBUMPZ-CDHAZOANSA-N 0 1 385.382 3.496 20 0 GGADMN COC(=O)[C@@H](c1ccccc1C(F)(F)F)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598715504 995401292 /nfs/dbraw/zinc/40/12/92/995401292.db2.gz HUYLKCIMKBUMPZ-CDHAZOANSA-N 0 1 385.382 3.496 20 0 GGADMN COC(=O)[C@H](c1ccccc1C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598715842 995406778 /nfs/dbraw/zinc/40/67/78/995406778.db2.gz QJLYBTHNACDKGY-SCTDSRPQSA-N 0 1 389.398 3.288 20 0 GGADMN COC(=O)[C@H](c1ccccc1C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001598715842 995406784 /nfs/dbraw/zinc/40/67/84/995406784.db2.gz QJLYBTHNACDKGY-SCTDSRPQSA-N 0 1 389.398 3.288 20 0 GGADMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001598719560 995460498 /nfs/dbraw/zinc/46/04/98/995460498.db2.gz ZIUJGELGFLETPP-FZMZJTMJSA-N 0 1 399.287 3.259 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1nc(C(=O)[O-])co1 ZINC001593503757 995516549 /nfs/dbraw/zinc/51/65/49/995516549.db2.gz ZGOOPBDETJPHGF-GXTWGEPZSA-N 0 1 376.384 3.028 20 0 GGADMN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c3ccccc3[nH]c2C(=O)[O-])C1 ZINC001598727071 995529766 /nfs/dbraw/zinc/52/97/66/995529766.db2.gz JNZZGRCXCYZZGX-JOCHJYFZSA-N 0 1 378.428 3.183 20 0 GGADMN COC(=O)[C@@H]1[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740711 995560307 /nfs/dbraw/zinc/56/03/07/995560307.db2.gz GAZBHSFBUHTKLC-JFUSQASVSA-N 0 1 382.190 3.105 20 0 GGADMN C[C@H](OCCCNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001593608554 995797215 /nfs/dbraw/zinc/79/72/15/995797215.db2.gz KBVULKFWDCEMQL-PKOBYXMFSA-N 0 1 390.524 3.093 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1)C(=O)[O-] ZINC001593614913 995826835 /nfs/dbraw/zinc/82/68/35/995826835.db2.gz DKGWHVAUGXHOHH-QRQCRPRQSA-N 0 1 381.428 3.148 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)cc1)C(=O)[O-] ZINC001593615249 995830194 /nfs/dbraw/zinc/83/01/94/995830194.db2.gz HPDOWZKMVJLWTJ-CQSZACIVSA-N 0 1 376.403 3.139 20 0 GGADMN C[C@H](Oc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cc1)C(=O)[O-] ZINC001593615408 995832926 /nfs/dbraw/zinc/83/29/26/995832926.db2.gz JCQXKSPLANKYMN-VNZMSGEBSA-N 0 1 394.515 3.492 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1)C(=O)[O-] ZINC001593615408 995832960 /nfs/dbraw/zinc/83/29/60/995832960.db2.gz JCQXKSPLANKYMN-VNZMSGEBSA-N 0 1 394.515 3.492 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1)C(=O)[O-] ZINC001593615408 995832964 /nfs/dbraw/zinc/83/29/64/995832964.db2.gz JCQXKSPLANKYMN-VNZMSGEBSA-N 0 1 394.515 3.492 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001593615423 995833887 /nfs/dbraw/zinc/83/38/87/995833887.db2.gz JUAUIMBXXHKTJF-JPYJTQIMSA-N 0 1 383.488 3.356 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1)C(=O)[O-] ZINC001593616366 995847856 /nfs/dbraw/zinc/84/78/56/995847856.db2.gz YJKZQIWBXIZWCD-SJLPKXTDSA-N 0 1 382.460 3.023 20 0 GGADMN C[C@@H](Oc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1F)C(=O)[O-] ZINC001593625870 995891442 /nfs/dbraw/zinc/89/14/42/995891442.db2.gz AQCCXSBQFPJNAV-HIFRSBDPSA-N 0 1 381.448 3.016 20 0 GGADMN C[C@H](Oc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1F)C(=O)[O-] ZINC001593625869 995891470 /nfs/dbraw/zinc/89/14/70/995891470.db2.gz AQCCXSBQFPJNAV-DZGCQCFKSA-N 0 1 381.448 3.016 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001598772874 995900179 /nfs/dbraw/zinc/90/01/79/995900179.db2.gz AVECWNMSNGLILK-QAPCUYQASA-N 0 1 387.407 3.456 20 0 GGADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001598776413 995934503 /nfs/dbraw/zinc/93/45/03/995934503.db2.gz KVCSHCDDTLGXSY-MOPGFXCFSA-N 0 1 383.444 3.104 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778185 995952539 /nfs/dbraw/zinc/95/25/39/995952539.db2.gz NWRCVUUBRTZGBA-OXJNMPFZSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001598778185 995952542 /nfs/dbraw/zinc/95/25/42/995952542.db2.gz NWRCVUUBRTZGBA-OXJNMPFZSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779009 995961832 /nfs/dbraw/zinc/96/18/32/995961832.db2.gz QQBGOPXPQGZTAE-GXFFZTMASA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779009 995961839 /nfs/dbraw/zinc/96/18/39/995961839.db2.gz QQBGOPXPQGZTAE-GXFFZTMASA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779013 995961985 /nfs/dbraw/zinc/96/19/85/995961985.db2.gz QQBGOPXPQGZTAE-ZWNOBZJWSA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779013 995961993 /nfs/dbraw/zinc/96/19/93/995961993.db2.gz QQBGOPXPQGZTAE-ZWNOBZJWSA-N 0 1 379.762 3.197 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644485 995962370 /nfs/dbraw/zinc/96/23/70/995962370.db2.gz KXZARTZFPMOJFQ-APWZRJJASA-N 0 1 382.460 3.166 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)C(=O)[O-] ZINC001593644485 995962375 /nfs/dbraw/zinc/96/23/75/995962375.db2.gz KXZARTZFPMOJFQ-APWZRJJASA-N 0 1 382.460 3.166 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644549 995962711 /nfs/dbraw/zinc/96/27/11/995962711.db2.gz LSQZVEJGLUQWKQ-VFNWGFHPSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644548 995962823 /nfs/dbraw/zinc/96/28/23/995962823.db2.gz LSQZVEJGLUQWKQ-QVKFZJNVSA-N 0 1 392.496 3.275 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001598779052 995963294 /nfs/dbraw/zinc/96/32/94/995963294.db2.gz QYSIQGRHKKEQBB-OXQOHEQNSA-N 0 1 399.443 3.196 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)C1 ZINC001598779048 995963392 /nfs/dbraw/zinc/96/33/92/995963392.db2.gz QYSIQGRHKKEQBB-JXFKEZNVSA-N 0 1 399.443 3.196 20 0 GGADMN C[C@H](Oc1ccccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)C(=O)[O-] ZINC001593644643 995964158 /nfs/dbraw/zinc/96/41/58/995964158.db2.gz BDZXIRSDGDLIGK-DSKINZAPSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@@H](Oc1ccccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)C(=O)[O-] ZINC001593644644 995964584 /nfs/dbraw/zinc/96/45/84/995964584.db2.gz BDZXIRSDGDLIGK-QFUCXCTJSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644805 995966263 /nfs/dbraw/zinc/96/62/63/995966263.db2.gz NAMUMWRKKSQKOB-JSGCOSHPSA-N 0 1 395.381 3.337 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644808 995966568 /nfs/dbraw/zinc/96/65/68/995966568.db2.gz NAMUMWRKKSQKOB-TZMCWYRMSA-N 0 1 395.381 3.337 20 0 GGADMN C[C@@H](Oc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)[O-] ZINC001593645518 995976006 /nfs/dbraw/zinc/97/60/06/995976006.db2.gz KSWDYWWGHMUVGV-UIFIKXQLSA-N 0 1 380.488 3.102 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645744 995977763 /nfs/dbraw/zinc/97/77/63/995977763.db2.gz MBOMDDVBXNHHAF-MRXNPFEDSA-N 0 1 377.444 3.283 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645744 995977769 /nfs/dbraw/zinc/97/77/69/995977769.db2.gz MBOMDDVBXNHHAF-MRXNPFEDSA-N 0 1 377.444 3.283 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C(=O)[O-] ZINC001593645942 995978659 /nfs/dbraw/zinc/97/86/59/995978659.db2.gz UIDHHWAAOPDDKF-DNVCBOLYSA-N 0 1 382.460 3.464 20 0 GGADMN C[C@@H](Oc1ccccc1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C(=O)[O-] ZINC001593646005 995979548 /nfs/dbraw/zinc/97/95/48/995979548.db2.gz USZXHTFKNBJYRH-WIYYLYMNSA-N 0 1 382.504 3.287 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593646686 995988116 /nfs/dbraw/zinc/98/81/16/995988116.db2.gz ZXZHDDFYWQGFJB-ZOBUZTSGSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C(=O)[O-] ZINC001593673101 996081769 /nfs/dbraw/zinc/08/17/69/996081769.db2.gz OGPRDIZZBDKIBT-GDBMZVCRSA-N 0 1 376.522 3.389 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001593685962 996120381 /nfs/dbraw/zinc/12/03/81/996120381.db2.gz KPUHLAYESYISBV-OMLDUKLJSA-N 0 1 392.459 3.437 20 0 GGADMN C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001593685967 996120454 /nfs/dbraw/zinc/12/04/54/996120454.db2.gz KPUHLAYESYISBV-QJXUFPCYSA-N 0 1 392.459 3.437 20 0 GGADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001593690135 996135466 /nfs/dbraw/zinc/13/54/66/996135466.db2.gz NZDLGVVNZZJEAE-WDEREUQCSA-N 0 1 380.242 3.471 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)[C@H](C(=O)[O-])C1 ZINC001598801343 996140383 /nfs/dbraw/zinc/14/03/83/996140383.db2.gz BGMWQZBUDFQWCQ-YJBOKZPZSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001593694597 996151026 /nfs/dbraw/zinc/15/10/26/996151026.db2.gz ZMYNYOYTDIHIDC-ZDUSSCGKSA-N 0 1 388.414 3.241 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001593694597 996151031 /nfs/dbraw/zinc/15/10/31/996151031.db2.gz ZMYNYOYTDIHIDC-ZDUSSCGKSA-N 0 1 388.414 3.241 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696913 996153361 /nfs/dbraw/zinc/15/33/61/996153361.db2.gz BHDMZCOGZKBFTN-XOBRGWDASA-N 0 1 382.435 3.244 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593696913 996153365 /nfs/dbraw/zinc/15/33/65/996153365.db2.gz BHDMZCOGZKBFTN-XOBRGWDASA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697087 996154305 /nfs/dbraw/zinc/15/43/05/996154305.db2.gz DKDIQXNKXAYXDM-VLIAUNLRSA-N 0 1 397.450 3.112 20 0 GGADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593697087 996154309 /nfs/dbraw/zinc/15/43/09/996154309.db2.gz DKDIQXNKXAYXDM-VLIAUNLRSA-N 0 1 397.450 3.112 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(/C=C/C(=O)[O-])o2)C1=O ZINC001593697308 996155977 /nfs/dbraw/zinc/15/59/77/996155977.db2.gz IHRUPRBKCLTQOD-ADJKGBHTSA-N 0 1 386.423 3.358 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC001593697406 996156462 /nfs/dbraw/zinc/15/64/62/996156462.db2.gz JZBIZADYKYIEJO-NOOVBMIQSA-N 0 1 396.462 3.288 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698355 996163334 /nfs/dbraw/zinc/16/33/34/996163334.db2.gz YBIDEZXMGDBMGQ-VLIAUNLRSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698355 996163336 /nfs/dbraw/zinc/16/33/36/996163336.db2.gz YBIDEZXMGDBMGQ-VLIAUNLRSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698354 996163493 /nfs/dbraw/zinc/16/34/93/996163493.db2.gz YBIDEZXMGDBMGQ-VBKZILBWSA-N 0 1 382.435 3.244 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001593698354 996163495 /nfs/dbraw/zinc/16/34/95/996163495.db2.gz YBIDEZXMGDBMGQ-VBKZILBWSA-N 0 1 382.435 3.244 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C(=O)[O-])C1 ZINC001598803694 996163866 /nfs/dbraw/zinc/16/38/66/996163866.db2.gz NUSAULLVRDCZCN-WMZOPIPTSA-N 0 1 384.432 3.021 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC001598803692 996164211 /nfs/dbraw/zinc/16/42/11/996164211.db2.gz NUSAULLVRDCZCN-FUHWJXTLSA-N 0 1 384.432 3.021 20 0 GGADMN C[C@H](c1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC001593700181 996175115 /nfs/dbraw/zinc/17/51/15/996175115.db2.gz XVLXJXBNQPYZEU-MRXNPFEDSA-N 0 1 377.485 3.236 20 0 GGADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001593704013 996181970 /nfs/dbraw/zinc/18/19/70/996181970.db2.gz XDYUQOAQCFKFFP-HNNXBMFYSA-N 0 1 388.489 3.118 20 0 GGADMN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC001593704007 996182224 /nfs/dbraw/zinc/18/22/24/996182224.db2.gz WZGANJSWDBBBEQ-HNNXBMFYSA-N 0 1 384.432 3.413 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)[C@H](C(=O)[O-])C1 ZINC001598806030 996187361 /nfs/dbraw/zinc/18/73/61/996187361.db2.gz YRZXHCQROAEWEE-BEFAXECRSA-N 0 1 387.407 3.456 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711705 996213504 /nfs/dbraw/zinc/21/35/04/996213504.db2.gz WWYPOCAUSHLQGE-VQIMIIECSA-N 0 1 397.475 3.497 20 0 GGADMN C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593714262 996229642 /nfs/dbraw/zinc/22/96/42/996229642.db2.gz WBEMKUHFAKZEMT-CQSZACIVSA-N 0 1 393.447 3.172 20 0 GGADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001593725538 996278773 /nfs/dbraw/zinc/27/87/73/996278773.db2.gz RLHVQRVHCGJTON-LAPQFRIASA-N 0 1 393.484 3.451 20 0 GGADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@@H]1C(=O)[O-] ZINC001598817315 996285183 /nfs/dbraw/zinc/28/51/83/996285183.db2.gz GGPYYJDQSTZICX-TUKIKUTGSA-N 0 1 392.839 3.170 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001593728308 996289528 /nfs/dbraw/zinc/28/95/28/996289528.db2.gz FCYLAYOIFLLPBI-YXKWSERDSA-N 0 1 379.457 3.013 20 0 GGADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001593728308 996289535 /nfs/dbraw/zinc/28/95/35/996289535.db2.gz FCYLAYOIFLLPBI-YXKWSERDSA-N 0 1 379.457 3.013 20 0 GGADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001593730919 996298319 /nfs/dbraw/zinc/29/83/19/996298319.db2.gz BNYKVBAYPMGYPX-LBPRGKRZSA-N 0 1 383.514 3.481 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731724 996304645 /nfs/dbraw/zinc/30/46/45/996304645.db2.gz IERSVFZHPPQYJM-JHJVBQTASA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731724 996304649 /nfs/dbraw/zinc/30/46/49/996304649.db2.gz IERSVFZHPPQYJM-JHJVBQTASA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001593733638 996319840 /nfs/dbraw/zinc/31/98/40/996319840.db2.gz KCWYHRUJHWDAMO-ADEWGFFLSA-N 0 1 385.247 3.477 20 0 GGADMN COC(=O)[C@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598825362 996376783 /nfs/dbraw/zinc/37/67/83/996376783.db2.gz CLEWTWCJNSPWPO-RYUDHWBXSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598825362 996376788 /nfs/dbraw/zinc/37/67/88/996376788.db2.gz CLEWTWCJNSPWPO-RYUDHWBXSA-N 0 1 399.287 3.030 20 0 GGADMN C[C@@]1(C(=O)[O-])CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001593767583 996450158 /nfs/dbraw/zinc/45/01/58/996450158.db2.gz DAKOQMVVKUVIMJ-MNRDOXJOSA-N 0 1 399.535 3.468 20 0 GGADMN COC(=O)/C=C/c1ccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)o1 ZINC001598833470 996460523 /nfs/dbraw/zinc/46/05/23/996460523.db2.gz AOCUTNINWLJRKY-FNORWQNLSA-N 0 1 379.359 3.221 20 0 GGADMN COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001598833767 996463735 /nfs/dbraw/zinc/46/37/35/996463735.db2.gz DMIJEMHHPXFEAL-NZCZVHRTSA-N 0 1 387.476 3.217 20 0 GGADMN COC(=O)/C=C/c1ccc(OCC[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001598834694 996472811 /nfs/dbraw/zinc/47/28/11/996472811.db2.gz MWRMVHLCACAHRO-VGMNTSGFSA-N 0 1 375.465 3.074 20 0 GGADMN COC(=O)/C=C\c1ccc(OCC[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001598834692 996472984 /nfs/dbraw/zinc/47/29/84/996472984.db2.gz MWRMVHLCACAHRO-NLZINVLXSA-N 0 1 375.465 3.074 20 0 GGADMN 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ZINC001598929275 997711854 /nfs/dbraw/zinc/71/18/54/997711854.db2.gz FRKCHUVXJVWNMQ-LJQANCHMSA-N 0 1 387.407 3.009 20 0 GGADMN COC(=O)c1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)cc(C(=O)[O-])c1 ZINC001598929445 997718198 /nfs/dbraw/zinc/71/81/98/997718198.db2.gz LKZKNDUVNHTXQT-NRFANRHFSA-N 0 1 397.471 3.335 20 0 GGADMN COC(=O)c1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001598929580 997719958 /nfs/dbraw/zinc/71/99/58/997719958.db2.gz PWUWHJJUYGDDJE-HXUWFJFHSA-N 0 1 383.444 3.353 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599535237 997732378 /nfs/dbraw/zinc/73/23/78/997732378.db2.gz JDDPFXPOSWHUNR-KBAYOESNSA-N 0 1 382.460 3.131 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001599535346 997733550 /nfs/dbraw/zinc/73/35/50/997733550.db2.gz NTJWGQIHGITXQB-KNBMTAEXSA-N 0 1 382.460 3.478 20 0 GGADMN COC(=O)c1cc(C[N@@H+](C)C[C@H](C)Cc2ccc(OC)cc2)cc(C(=O)[O-])c1 ZINC001598930217 997736144 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KBWJJJUMYDNSSX-UHFFFAOYSA-N 0 1 399.287 3.488 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c(OC)cc1Cl ZINC001599431154 997762086 /nfs/dbraw/zinc/76/20/86/997762086.db2.gz KLMJWTRIRWCBOJ-CYBMUJFWSA-N 0 1 398.887 3.263 20 0 GGADMN COc1ccc(C2=NO[C@@H](C[NH2+][C@H](C)c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599537311 997767297 /nfs/dbraw/zinc/76/72/97/997767297.db2.gz NTSNKDGUOWUMDG-DGCLKSJQSA-N 0 1 375.450 3.002 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)c3cncc(C(=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC001599537483 997769380 /nfs/dbraw/zinc/76/93/80/997769380.db2.gz NYAQDBNECOUGAV-HNAYVOBHSA-N 0 1 384.432 3.028 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cc(C(=O)[O-])c1 ZINC001598931794 997772133 /nfs/dbraw/zinc/77/21/33/997772133.db2.gz ACGZWLFLCGNSGZ-YGBSJELFSA-N 0 1 389.492 3.323 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc(C(=O)[O-])c1 ZINC001598931791 997772297 /nfs/dbraw/zinc/77/22/97/997772297.db2.gz ACGZWLFLCGNSGZ-GAZPGATBSA-N 0 1 389.492 3.323 20 0 GGADMN COc1cc(NC(=O)CC[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c(OC)cc1Cl ZINC001599431838 997772304 /nfs/dbraw/zinc/77/23/04/997772304.db2.gz WBSCQXSIGLBSQI-LLVKDONJSA-N 0 1 384.860 3.013 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc(C(=O)[O-])c1 ZINC001598932321 997786513 /nfs/dbraw/zinc/78/65/13/997786513.db2.gz UDBDHRCCJMPGMY-ZDUSSCGKSA-N 0 1 375.371 3.439 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc(C(=O)[O-])c1 ZINC001598932320 997786584 /nfs/dbraw/zinc/78/65/84/997786584.db2.gz UDBDHRCCJMPGMY-CYBMUJFWSA-N 0 1 375.371 3.439 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cc2cccc(OC)c2)cc(C(=O)[O-])c1 ZINC001598932583 997795619 /nfs/dbraw/zinc/79/56/19/997795619.db2.gz MFGMQUCPZXCGTE-IBGZPJMESA-N 0 1 383.444 3.387 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539135 997801567 /nfs/dbraw/zinc/80/15/67/997801567.db2.gz PQVYHDCNAHYRFA-JXFKEZNVSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539135 997801583 /nfs/dbraw/zinc/80/15/83/997801583.db2.gz PQVYHDCNAHYRFA-JXFKEZNVSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539136 997801641 /nfs/dbraw/zinc/80/16/41/997801641.db2.gz PQVYHDCNAHYRFA-OXJNMPFZSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539136 997801651 /nfs/dbraw/zinc/80/16/51/997801651.db2.gz PQVYHDCNAHYRFA-OXJNMPFZSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539138 997802190 /nfs/dbraw/zinc/80/21/90/997802190.db2.gz PQVYHDCNAHYRFA-UZLBHIALSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539138 997802198 /nfs/dbraw/zinc/80/21/98/997802198.db2.gz PQVYHDCNAHYRFA-UZLBHIALSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539137 997802240 /nfs/dbraw/zinc/80/22/40/997802240.db2.gz PQVYHDCNAHYRFA-OXQOHEQNSA-N 0 1 388.508 3.467 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001599539137 997802253 /nfs/dbraw/zinc/80/22/53/997802253.db2.gz PQVYHDCNAHYRFA-OXQOHEQNSA-N 0 1 388.508 3.467 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)cc(C(=O)[O-])c1 ZINC001598933171 997808661 /nfs/dbraw/zinc/80/86/61/997808661.db2.gz ROTQSPWJEVDDJF-SFHVURJKSA-N 0 1 399.443 3.223 20 0 GGADMN COC(=O)c1cc(C[NH+]2CCN(c3ccc(C)cc3C)CC2)cc(C(=O)[O-])c1 ZINC001598933432 997814438 /nfs/dbraw/zinc/81/44/38/997814438.db2.gz VNRCEKOKCRGDSE-UHFFFAOYSA-N 0 1 382.460 3.110 20 0 GGADMN COc1cc(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599435593 997839006 /nfs/dbraw/zinc/83/90/06/997839006.db2.gz RILPBWDGDTWPRD-QGZVFWFLSA-N 0 1 383.448 3.132 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001599230712 997846140 /nfs/dbraw/zinc/84/61/40/997846140.db2.gz DQVMNPSRDNXAKK-UHFFFAOYSA-N 0 1 395.475 3.126 20 0 GGADMN COc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599437108 997866631 /nfs/dbraw/zinc/86/66/31/997866631.db2.gz KKWQJCRMNLQFJO-WBVHZDCISA-N 0 1 397.475 3.426 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C(=O)[O-])s2)CC1 ZINC001599231556 997867276 /nfs/dbraw/zinc/86/72/76/997867276.db2.gz YVCQCDKRALFNTJ-UHFFFAOYSA-N 0 1 383.514 3.049 20 0 GGADMN COc1c(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599338039 997871900 /nfs/dbraw/zinc/87/19/00/997871900.db2.gz FZPYQZCYRJMUKH-INIZCTEOSA-N 0 1 383.448 3.132 20 0 GGADMN COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001599543959 997891954 /nfs/dbraw/zinc/89/19/54/997891954.db2.gz PSAWNKFOSPJSQA-IQBZNYMQSA-N 0 1 381.428 3.221 20 0 GGADMN COc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1C(=O)[O-] ZINC001599438634 997894179 /nfs/dbraw/zinc/89/41/79/997894179.db2.gz UOSPOLMJPYPMFU-INIZCTEOSA-N 0 1 375.469 3.312 20 0 GGADMN COCC[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(C)cc1C ZINC001599233136 997897677 /nfs/dbraw/zinc/89/76/77/997897677.db2.gz CYRXFIPGEOUNIL-UHFFFAOYSA-N 0 1 376.478 3.150 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(C)cc1C ZINC001599233136 997897683 /nfs/dbraw/zinc/89/76/83/997897683.db2.gz CYRXFIPGEOUNIL-UHFFFAOYSA-N 0 1 376.478 3.150 20 0 GGADMN COc1c(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599339895 997904581 /nfs/dbraw/zinc/90/45/81/997904581.db2.gz MRFVURJVVBBFIQ-KRWDZBQOSA-N 0 1 397.475 3.174 20 0 GGADMN COc1c(NC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cccc1C(=O)[O-] ZINC001599339919 997904885 /nfs/dbraw/zinc/90/48/85/997904885.db2.gz YQQNBIIXMUYJTF-UHFFFAOYSA-N 0 1 384.436 3.019 20 0 GGADMN COc1c(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340225 997908830 /nfs/dbraw/zinc/90/88/30/997908830.db2.gz HLIWMTLXZXMQOK-NVXWUHKLSA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340224 997909092 /nfs/dbraw/zinc/90/90/92/997909092.db2.gz HLIWMTLXZXMQOK-DOTOQJQBSA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1C(=O)[O-] ZINC001599340324 997911645 /nfs/dbraw/zinc/91/16/45/997911645.db2.gz JEUIAIYRSLFCSF-CRAIPNDOSA-N 0 1 397.475 3.426 20 0 GGADMN COc1c(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cccc1C(=O)[O-] ZINC001599341177 997924145 /nfs/dbraw/zinc/92/41/45/997924145.db2.gz PYDVFDLTICBZOZ-HNNXBMFYSA-N 0 1 375.469 3.312 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CC2CCC2)cc(C(=O)[O-])c1 ZINC001598939179 997930366 /nfs/dbraw/zinc/93/03/66/997930366.db2.gz KJUMUKNDUGBYKZ-GOSISDBHSA-N 0 1 388.464 3.155 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc(C(=O)[O-])c1 ZINC001598939360 997934530 /nfs/dbraw/zinc/93/45/30/997934530.db2.gz NIJTZEDXLCLGFL-MRXNPFEDSA-N 0 1 388.445 3.009 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc(C(=O)[O-])c1 ZINC001598939360 997934544 /nfs/dbraw/zinc/93/45/44/997934544.db2.gz NIJTZEDXLCLGFL-MRXNPFEDSA-N 0 1 388.445 3.009 20 0 GGADMN C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC001594074029 997936043 /nfs/dbraw/zinc/93/60/43/997936043.db2.gz VXPIMWZBKOULKB-OAQYLSRUSA-N 0 1 381.407 3.336 20 0 GGADMN C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC001594074029 997936052 /nfs/dbraw/zinc/93/60/52/997936052.db2.gz VXPIMWZBKOULKB-OAQYLSRUSA-N 0 1 381.407 3.336 20 0 GGADMN C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC001594074025 997936678 /nfs/dbraw/zinc/93/66/78/997936678.db2.gz VXPIMWZBKOULKB-NRFANRHFSA-N 0 1 381.407 3.336 20 0 GGADMN C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC001594074025 997936689 /nfs/dbraw/zinc/93/66/89/997936689.db2.gz VXPIMWZBKOULKB-NRFANRHFSA-N 0 1 381.407 3.336 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)CCCCc2ccccc2)cc(C(=O)[O-])c1 ZINC001598940760 997966724 /nfs/dbraw/zinc/96/67/24/997966724.db2.gz OTMQSYOLPVCUAK-UHFFFAOYSA-N 0 1 398.459 3.065 20 0 GGADMN CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599132179 997968740 /nfs/dbraw/zinc/96/87/40/997968740.db2.gz QUWPGCWEBNHEKJ-KNQAVFIVSA-N 0 1 398.459 3.372 20 0 GGADMN COCC[N@@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccc2c(c1)OCO2 ZINC001599237469 997970806 /nfs/dbraw/zinc/97/08/06/997970806.db2.gz AHXJNZBFFNCJRH-UHFFFAOYSA-N 0 1 382.416 3.243 20 0 GGADMN COc1c(NCc2ccccc2C[N@@H+](C)Cc2ccco2)ncnc1C(=O)[O-] ZINC001599344941 997986958 /nfs/dbraw/zinc/98/69/58/997986958.db2.gz QVHYJAAHSPIWEG-UHFFFAOYSA-N 0 1 382.420 3.021 20 0 GGADMN COc1ccc(C[C@H](C)[N@@H+](C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001599551491 998014424 /nfs/dbraw/zinc/01/44/24/998014424.db2.gz UHFHUUQCNWDFPB-ZDUSSCGKSA-N 0 1 381.432 3.105 20 0 GGADMN C[C@]12CN(C(=O)/C=C/c3cc(C(=O)[O-])co3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594087548 998018255 /nfs/dbraw/zinc/01/82/55/998018255.db2.gz ITUFSFKNNUFBIO-MTQPFDCESA-N 0 1 394.471 3.362 20 0 GGADMN COc1cc(OC)c(NC(=O)C[N@@H+](CC(=O)[O-])C2CCCCC2)cc1Cl ZINC001599447482 998032571 /nfs/dbraw/zinc/03/25/71/998032571.db2.gz BSVMWMWULXGFSV-UHFFFAOYSA-N 0 1 384.860 3.015 20 0 GGADMN COc1cc(OC)c(NC(=O)CC[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1Cl ZINC001599448298 998046788 /nfs/dbraw/zinc/04/67/88/998046788.db2.gz OQGIWVHQMKFMLE-CQSZACIVSA-N 0 1 384.860 3.015 20 0 GGADMN COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)C[C@@H]1C ZINC001599242547 998072302 /nfs/dbraw/zinc/07/23/02/998072302.db2.gz SZRMSANRGBAXOR-BETUJISGSA-N 0 1 391.493 3.172 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001599450117 998078707 /nfs/dbraw/zinc/07/87/07/998078707.db2.gz BLTCPMVJDACITH-KRWDZBQOSA-N 0 1 395.358 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001599450413 998084801 /nfs/dbraw/zinc/08/48/01/998084801.db2.gz FDMXQXOGOCGCTE-LIRRHRJNSA-N 0 1 390.505 3.270 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001599450412 998085534 /nfs/dbraw/zinc/08/55/34/998085534.db2.gz FDMXQXOGOCGCTE-KUHUBIRLSA-N 0 1 390.505 3.270 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001599450724 998092074 /nfs/dbraw/zinc/09/20/74/998092074.db2.gz VCHNXIKBLGDJCC-KRWDZBQOSA-N 0 1 396.484 3.018 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001599450938 998097617 /nfs/dbraw/zinc/09/76/17/998097617.db2.gz OUHUXGPSKXWRAD-VGSWGCGISA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001599450938 998097631 /nfs/dbraw/zinc/09/76/31/998097631.db2.gz OUHUXGPSKXWRAD-VGSWGCGISA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001599450938 998097643 /nfs/dbraw/zinc/09/76/43/998097643.db2.gz OUHUXGPSKXWRAD-VGSWGCGISA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC001599451187 998104439 /nfs/dbraw/zinc/10/44/39/998104439.db2.gz WKYQZVPMSRGGRS-FOIQADDNSA-N 0 1 399.491 3.242 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)O1 ZINC001594103747 998142844 /nfs/dbraw/zinc/14/28/44/998142844.db2.gz DHRRJRQVGLUANI-ZULIPRJHSA-N 0 1 385.460 3.120 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC001599558825 998149021 /nfs/dbraw/zinc/14/90/21/998149021.db2.gz NWLOTUIJCKIRRM-UHFFFAOYSA-N 0 1 398.459 3.253 20 0 GGADMN COc1ccc(C[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC001599558825 998149032 /nfs/dbraw/zinc/14/90/32/998149032.db2.gz NWLOTUIJCKIRRM-UHFFFAOYSA-N 0 1 398.459 3.253 20 0 GGADMN COc1cc(OC)cc([C@@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453977 998155516 /nfs/dbraw/zinc/15/55/16/998155516.db2.gz UKXDIPJNRHKHTG-GGAORHGYSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453977 998155522 /nfs/dbraw/zinc/15/55/22/998155522.db2.gz UKXDIPJNRHKHTG-GGAORHGYSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453977 998155529 /nfs/dbraw/zinc/15/55/29/998155529.db2.gz UKXDIPJNRHKHTG-GGAORHGYSA-N 0 1 398.503 3.331 20 0 GGADMN COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001599559349 998159353 /nfs/dbraw/zinc/15/93/53/998159353.db2.gz WGZBOSIBOHXGCD-ZDUSSCGKSA-N 0 1 390.867 3.184 20 0 GGADMN COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001599559349 998159364 /nfs/dbraw/zinc/15/93/64/998159364.db2.gz WGZBOSIBOHXGCD-ZDUSSCGKSA-N 0 1 390.867 3.184 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599560403 998181260 /nfs/dbraw/zinc/18/12/60/998181260.db2.gz IUKBVGOYYCRYDX-MRXNPFEDSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599560403 998181265 /nfs/dbraw/zinc/18/12/65/998181265.db2.gz IUKBVGOYYCRYDX-MRXNPFEDSA-N 0 1 383.448 3.098 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1 ZINC001599561030 998194675 /nfs/dbraw/zinc/19/46/75/998194675.db2.gz BGKOCWUNMDRFMZ-GOSISDBHSA-N 0 1 398.503 3.255 20 0 GGADMN COc1ccc(CN2CCC[N@H+](Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1 ZINC001599561030 998194681 /nfs/dbraw/zinc/19/46/81/998194681.db2.gz BGKOCWUNMDRFMZ-GOSISDBHSA-N 0 1 398.503 3.255 20 0 GGADMN COc1ccc(CN2CCC[N@@H+](Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)cc1 ZINC001599561030 998194689 /nfs/dbraw/zinc/19/46/89/998194689.db2.gz BGKOCWUNMDRFMZ-GOSISDBHSA-N 0 1 398.503 3.255 20 0 GGADMN COCCOCc1ccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001599252996 998264526 /nfs/dbraw/zinc/26/45/26/998264526.db2.gz OPZSGKVVFZNWGY-KRWDZBQOSA-N 0 1 390.505 3.384 20 0 GGADMN COCCOCc1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001599252997 998264578 /nfs/dbraw/zinc/26/45/78/998264578.db2.gz OPZSGKVVFZNWGY-QGZVFWFLSA-N 0 1 390.505 3.384 20 0 GGADMN COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CC(=O)[O-])c3cccnc3)co2)cc1 ZINC001598957294 998266091 /nfs/dbraw/zinc/26/60/91/998266091.db2.gz ZZULSYIQJCAYQG-NRFANRHFSA-N 0 1 395.415 3.003 20 0 GGADMN COc1ccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1C(=O)[O-] ZINC001599567383 998309152 /nfs/dbraw/zinc/30/91/52/998309152.db2.gz SCPYIJFIEALTTG-UHFFFAOYSA-N 0 1 399.491 3.233 20 0 GGADMN COc1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567783 998314834 /nfs/dbraw/zinc/31/48/34/998314834.db2.gz MWDCLQHGYLVXGS-QAPCUYQASA-N 0 1 397.475 3.028 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC001598960628 998322375 /nfs/dbraw/zinc/32/23/75/998322375.db2.gz JORAOVWMJVMGLX-KBPBESRZSA-N 0 1 388.464 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC001598960629 998322957 /nfs/dbraw/zinc/32/29/57/998322957.db2.gz JORAOVWMJVMGLX-KGLIPLIRSA-N 0 1 388.464 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC001598960630 998323334 /nfs/dbraw/zinc/32/33/34/998323334.db2.gz JORAOVWMJVMGLX-UONOGXRCSA-N 0 1 388.464 3.011 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2ccccc2)c1 ZINC001598960823 998326009 /nfs/dbraw/zinc/32/60/09/998326009.db2.gz LRCIAHOWOQLIIK-CABCVRRESA-N 0 1 398.459 3.234 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(C)C)CC2)c1 ZINC001598960873 998327419 /nfs/dbraw/zinc/32/74/19/998327419.db2.gz MZWXJFWZKBKARS-LSDHHAIUSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(C)C)CC2)c1 ZINC001598960870 998328122 /nfs/dbraw/zinc/32/81/22/998328122.db2.gz MZWXJFWZKBKARS-CABCVRRESA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+](C)Cc2c(C)cccc2C)c1 ZINC001598961594 998341459 /nfs/dbraw/zinc/34/14/59/998341459.db2.gz VUYUXMBMHHTUFU-HNNXBMFYSA-N 0 1 398.459 3.247 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[NH+]2CCC(CC(C)C)CC2)c1 ZINC001598961604 998343628 /nfs/dbraw/zinc/34/36/28/998343628.db2.gz VVHHZXTUHNUIDC-AWEZNQCLSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC001598962072 998350792 /nfs/dbraw/zinc/35/07/92/998350792.db2.gz YGYXLFIOHPBHHD-ZDUSSCGKSA-N 0 1 388.464 3.177 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC001598962072 998350804 /nfs/dbraw/zinc/35/08/04/998350804.db2.gz YGYXLFIOHPBHHD-ZDUSSCGKSA-N 0 1 388.464 3.177 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H]1CC(=O)[O-])oc1ccccc12 ZINC001599465599 998354911 /nfs/dbraw/zinc/35/49/11/998354911.db2.gz XUHWFCZUXCCTAB-CYBMUJFWSA-N 0 1 382.416 3.472 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C)oc1ccccc12 ZINC001599465656 998356200 /nfs/dbraw/zinc/35/62/00/998356200.db2.gz ZICHVCRDQJZIRS-CHWSQXEVSA-N 0 1 382.416 3.328 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])o1 ZINC001599466412 998368995 /nfs/dbraw/zinc/36/89/95/998368995.db2.gz BCFUBSHIBSVMIF-OAHLLOKOSA-N 0 1 399.472 3.291 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])o1 ZINC001599466412 998369001 /nfs/dbraw/zinc/36/90/01/998369001.db2.gz BCFUBSHIBSVMIF-OAHLLOKOSA-N 0 1 399.472 3.291 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)o1 ZINC001599466891 998378752 /nfs/dbraw/zinc/37/87/52/998378752.db2.gz WMBHUVUWQFFQHQ-CZUORRHYSA-N 0 1 381.432 3.441 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001599370571 998402389 /nfs/dbraw/zinc/40/23/89/998402389.db2.gz GEJNVLBENCEGEN-UHFFFAOYSA-N 0 1 397.475 3.442 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001598965346 998406380 /nfs/dbraw/zinc/40/63/80/998406380.db2.gz BQONYTZLGRIERN-ZDUSSCGKSA-N 0 1 388.464 3.177 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001598965346 998406388 /nfs/dbraw/zinc/40/63/88/998406388.db2.gz BQONYTZLGRIERN-ZDUSSCGKSA-N 0 1 388.464 3.177 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001598965408 998408418 /nfs/dbraw/zinc/40/84/18/998408418.db2.gz FHWQMDIKSWMVJZ-HNNXBMFYSA-N 0 1 398.459 3.247 20 0 GGADMN COc1ccc(-c2cnc(C[N@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)o2)cc1 ZINC001599468751 998412151 /nfs/dbraw/zinc/41/21/51/998412151.db2.gz QCMXOEKRFYIVDE-QWHCGFSZSA-N 0 1 384.354 3.435 20 0 GGADMN COc1ccc(-c2cnc(C[N@@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)o2)cc1 ZINC001599468751 998412164 /nfs/dbraw/zinc/41/21/64/998412164.db2.gz QCMXOEKRFYIVDE-QWHCGFSZSA-N 0 1 384.354 3.435 20 0 GGADMN COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599468976 998416288 /nfs/dbraw/zinc/41/62/88/998416288.db2.gz YQSCBUUMRJWYCC-GOSISDBHSA-N 0 1 392.459 3.407 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001594140226 998432004 /nfs/dbraw/zinc/43/20/04/998432004.db2.gz FBDFFEODGXDLCH-DUXKGJEZSA-N 0 1 398.478 3.349 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001599372757 998437610 /nfs/dbraw/zinc/43/76/10/998437610.db2.gz BRINHIZPFJUDCL-INIZCTEOSA-N 0 1 375.469 3.312 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001599372867 998439265 /nfs/dbraw/zinc/43/92/65/998439265.db2.gz RLFCJVSSOCXKRW-RHSMWYFYSA-N 0 1 383.448 3.178 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001599372868 998439492 /nfs/dbraw/zinc/43/94/92/998439492.db2.gz RLFCJVSSOCXKRW-WMLDXEAASA-N 0 1 383.448 3.178 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001599372866 998439519 /nfs/dbraw/zinc/43/95/19/998439519.db2.gz RLFCJVSSOCXKRW-PBHICJAKSA-N 0 1 383.448 3.178 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001599577676 998472033 /nfs/dbraw/zinc/47/20/33/998472033.db2.gz BUGAQFVWSAZSEC-STQMWFEESA-N 0 1 382.888 3.498 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599577933 998475846 /nfs/dbraw/zinc/47/58/46/998475846.db2.gz JKBLUUMWJASXDU-HNNXBMFYSA-N 0 1 394.777 3.016 20 0 GGADMN COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2cnc(C(=O)[O-])cn2)C1 ZINC001599579189 998499097 /nfs/dbraw/zinc/49/90/97/998499097.db2.gz ORHCIGDGNVVFDK-CYBMUJFWSA-N 0 1 375.856 3.292 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001594148986 998510934 /nfs/dbraw/zinc/51/09/34/998510934.db2.gz GOUYZNDVFXRCJS-OLMNPRSZSA-N 0 1 393.915 3.199 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001594148986 998510944 /nfs/dbraw/zinc/51/09/44/998510944.db2.gz GOUYZNDVFXRCJS-OLMNPRSZSA-N 0 1 393.915 3.199 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001599475580 998526664 /nfs/dbraw/zinc/52/66/64/998526664.db2.gz VNTOMKGABZZJPS-QGZVFWFLSA-N 0 1 379.254 3.332 20 0 GGADMN COc1ccc(Br)c(C[NH2+]Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001599475757 998529553 /nfs/dbraw/zinc/52/95/53/998529553.db2.gz HDCZVCPUBLFTPB-UHFFFAOYSA-N 0 1 380.238 3.211 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001594151530 998530598 /nfs/dbraw/zinc/53/05/98/998530598.db2.gz AETWUWLAHRQFEZ-OXJNMPFZSA-N 0 1 387.524 3.456 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)[nH]1 ZINC001598971944 998533514 /nfs/dbraw/zinc/53/35/14/998533514.db2.gz KXKPCOVNJJEIRU-UHFFFAOYSA-N 0 1 395.253 3.041 20 0 GGADMN COc1ccc(F)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC001599581770 998544161 /nfs/dbraw/zinc/54/41/61/998544161.db2.gz YLGVFUMOYFZNPB-SFHVURJKSA-N 0 1 389.423 3.426 20 0 GGADMN COc1ccc(F)c(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC001599581770 998544170 /nfs/dbraw/zinc/54/41/70/998544170.db2.gz YLGVFUMOYFZNPB-SFHVURJKSA-N 0 1 389.423 3.426 20 0 GGADMN COc1ccc(F)cc1-c1cncc(C[N@H+]2CCSC[C@H](C(=O)[O-])C2)c1 ZINC001599582163 998549861 /nfs/dbraw/zinc/54/98/61/998549861.db2.gz LFMDZBDLOQSKSW-OAHLLOKOSA-N 0 1 376.453 3.146 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1Cl ZINC001598973465 998561088 /nfs/dbraw/zinc/56/10/88/998561088.db2.gz AQGJUHSXZZRTBC-MNOVXSKESA-N 0 1 379.762 3.212 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1Cl ZINC001598973465 998561095 /nfs/dbraw/zinc/56/10/95/998561095.db2.gz AQGJUHSXZZRTBC-MNOVXSKESA-N 0 1 379.762 3.212 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2CCOc3c(cccc3C(=O)[O-])C2)c2ncccc12 ZINC001598974061 998571135 /nfs/dbraw/zinc/57/11/35/998571135.db2.gz HCGYSAUREFIDAC-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1ccc(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)c2ncccc12 ZINC001598974061 998571143 /nfs/dbraw/zinc/57/11/43/998571143.db2.gz HCGYSAUREFIDAC-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1F ZINC001598974913 998585911 /nfs/dbraw/zinc/58/59/11/998585911.db2.gz VXCZQOQSYNWMHX-JKSUJKDBSA-N 0 1 393.361 3.191 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001594161349 998601123 /nfs/dbraw/zinc/60/11/23/998601123.db2.gz GJRXWSQNWVMIAW-MFKMUULPSA-N 0 1 378.778 3.030 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC001594161349 998601126 /nfs/dbraw/zinc/60/11/26/998601126.db2.gz GJRXWSQNWVMIAW-MFKMUULPSA-N 0 1 378.778 3.030 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001594166016 998622750 /nfs/dbraw/zinc/62/27/50/998622750.db2.gz MGZWTHVSMSIPQW-LXGCGDOSSA-N 0 1 386.879 3.341 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166053 998623899 /nfs/dbraw/zinc/62/38/99/998623899.db2.gz MWNMFBAICDFOFU-VXGBXAGGSA-N 0 1 384.461 3.025 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166053 998623902 /nfs/dbraw/zinc/62/39/02/998623902.db2.gz MWNMFBAICDFOFU-VXGBXAGGSA-N 0 1 384.461 3.025 20 0 GGADMN COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599172302 998624139 /nfs/dbraw/zinc/62/41/39/998624139.db2.gz CJKWMZCYRHZBHP-INIZCTEOSA-N 0 1 396.365 3.319 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176568 998679822 /nfs/dbraw/zinc/67/98/22/998679822.db2.gz IHUQZXOEFGOQLA-OWCLPIDISA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176972 998684120 /nfs/dbraw/zinc/68/41/20/998684120.db2.gz PNUGRMRLRVHXEM-AXVVYFOYSA-N 0 1 387.524 3.180 20 0 GGADMN C[C@H]1[C@H](C)[N@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594177076 998685332 /nfs/dbraw/zinc/68/53/32/998685332.db2.gz RJCCSBLCHXMPRE-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@H]1[C@H](C)[N@@H+](CCOc2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001594177076 998685336 /nfs/dbraw/zinc/68/53/36/998685336.db2.gz RJCCSBLCHXMPRE-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001594177221 998686701 /nfs/dbraw/zinc/68/67/01/998686701.db2.gz UBRLOHWLSOLOGH-VBYALHQYSA-N 0 1 387.524 3.323 20 0 GGADMN COC(=O)c1ccc2[nH]c(C[N@@H+](CCCC(=O)[O-])Cc3ccccc3)nc2c1 ZINC001598988320 998714532 /nfs/dbraw/zinc/71/45/32/998714532.db2.gz OUFUZZRDEJPQFH-UHFFFAOYSA-N 0 1 381.432 3.217 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1ccnc3c(C(=O)[O-])cccc13)C2 ZINC001598989951 998727618 /nfs/dbraw/zinc/72/76/18/998727618.db2.gz CYEYJTRDXOISTN-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1ccnc3c(C(=O)[O-])cccc13)C2 ZINC001598989951 998727622 /nfs/dbraw/zinc/72/76/22/998727622.db2.gz CYEYJTRDXOISTN-UHFFFAOYSA-N 0 1 392.411 3.114 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC[N@H+]1Cc1ccccc1 ZINC001594190743 998742097 /nfs/dbraw/zinc/74/20/97/998742097.db2.gz MAZVETQXABHDTC-IIBYNOLFSA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H]1[C@@H](NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC[N@H+]1Cc1ccccc1 ZINC001594190744 998742294 /nfs/dbraw/zinc/74/22/94/998742294.db2.gz MAZVETQXABHDTC-KKSFZXQISA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H]1[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594191302 998747296 /nfs/dbraw/zinc/74/72/96/998747296.db2.gz VQKAITDCVRELRZ-KKSFZXQISA-N 0 1 393.487 3.116 20 0 GGADMN C[C@H]1[C@H](NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC[N@H+]1Cc1ccccc1 ZINC001594191600 998749493 /nfs/dbraw/zinc/74/94/93/998749493.db2.gz AZKHTYLWVVMVCL-SUMWQHHRSA-N 0 1 393.447 3.046 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994046 998762598 /nfs/dbraw/zinc/76/25/98/998762598.db2.gz BKAPGGNZWVNAKM-MSOLQXFVSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994046 998762605 /nfs/dbraw/zinc/76/26/05/998762605.db2.gz BKAPGGNZWVNAKM-MSOLQXFVSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)c1 ZINC001598994260 998764219 /nfs/dbraw/zinc/76/42/19/998764219.db2.gz CBWHLYRFQOKHLI-IEBWSBKVSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1 ZINC001598994413 998766002 /nfs/dbraw/zinc/76/60/02/998766002.db2.gz IEHFCBHJVJSZPC-NDXORKPFSA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[O-])c1 ZINC001598994413 998766006 /nfs/dbraw/zinc/76/60/06/998766006.db2.gz IEHFCBHJVJSZPC-NDXORKPFSA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1 ZINC001598994412 998766170 /nfs/dbraw/zinc/76/61/70/998766170.db2.gz IEHFCBHJVJSZPC-HBGVWJBISA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C(=O)[O-])c1 ZINC001598994412 998766177 /nfs/dbraw/zinc/76/61/77/998766177.db2.gz IEHFCBHJVJSZPC-HBGVWJBISA-N 0 1 396.487 3.099 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC001598995237 998773041 /nfs/dbraw/zinc/77/30/41/998773041.db2.gz GSJVWBVQDICKLD-LEWJYISDSA-N 0 1 397.471 3.323 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC001598995237 998773043 /nfs/dbraw/zinc/77/30/43/998773043.db2.gz GSJVWBVQDICKLD-LEWJYISDSA-N 0 1 397.471 3.323 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001598995604 998777195 /nfs/dbraw/zinc/77/71/95/998777195.db2.gz ILBNRKXMRWKDNA-VQIMIIECSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995604 998777200 /nfs/dbraw/zinc/77/72/00/998777200.db2.gz ILBNRKXMRWKDNA-VQIMIIECSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995604 998777203 /nfs/dbraw/zinc/77/72/03/998777203.db2.gz ILBNRKXMRWKDNA-VQIMIIECSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001598996868 998788214 /nfs/dbraw/zinc/78/82/14/998788214.db2.gz PSBOCUYEBRGWJO-MOPGFXCFSA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001598996871 998788379 /nfs/dbraw/zinc/78/83/79/998788379.db2.gz PSBOCUYEBRGWJO-RTBURBONSA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)c1 ZINC001598997439 998793035 /nfs/dbraw/zinc/79/30/35/998793035.db2.gz MBPZGMWELQJTEY-IBGZPJMESA-N 0 1 399.443 3.281 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)c1 ZINC001598997444 998793047 /nfs/dbraw/zinc/79/30/47/998793047.db2.gz MBPZGMWELQJTEY-LJQANCHMSA-N 0 1 399.443 3.281 20 0 GGADMN COC(=O)c1cccc([C@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000336 998818558 /nfs/dbraw/zinc/81/85/58/998818558.db2.gz YJJLYQZQAGHZBD-REWPJTCUSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000336 998818561 /nfs/dbraw/zinc/81/85/61/998818561.db2.gz YJJLYQZQAGHZBD-REWPJTCUSA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000336 998818564 /nfs/dbraw/zinc/81/85/64/998818564.db2.gz YJJLYQZQAGHZBD-REWPJTCUSA-N 0 1 396.487 3.101 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001594225980 998866810 /nfs/dbraw/zinc/86/68/10/998866810.db2.gz LKHANIAJKPJFBR-CALCHBBNSA-N 0 1 391.512 3.420 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001594232217 998883439 /nfs/dbraw/zinc/88/34/39/998883439.db2.gz GDIKORCPNWGHFU-ONCXSQPRSA-N 0 1 387.524 3.039 20 0 GGADMN COC(=O)c1cnc([C@@H](C)[NH2+]CCOc2ccc(C(=O)[O-])cc2Cl)s1 ZINC001599009365 998884319 /nfs/dbraw/zinc/88/43/19/998884319.db2.gz MZIKDOSBHTZSSQ-SECBINFHSA-N 0 1 384.841 3.011 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(CC(=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC001594232476 998885380 /nfs/dbraw/zinc/88/53/80/998885380.db2.gz KVGCNBCLGYWIDO-FUHWJXTLSA-N 0 1 396.491 3.131 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3[nH]cc(C(=O)[O-])c3C3CC3)C2)s1 ZINC001599009535 998885670 /nfs/dbraw/zinc/88/56/70/998885670.db2.gz OYHPVZAXXPQKSM-GFCCVEGCSA-N 0 1 389.477 3.213 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC001594232558 998886223 /nfs/dbraw/zinc/88/62/23/998886223.db2.gz MQWPZFVBCBXWDT-CFKGEZKQSA-N 0 1 399.535 3.326 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)s1 ZINC001599009607 998886336 /nfs/dbraw/zinc/88/63/36/998886336.db2.gz QXFRXVJOOZEIHZ-IAQYHMDHSA-N 0 1 378.425 3.074 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594239273 998911912 /nfs/dbraw/zinc/91/19/12/998911912.db2.gz TXKIPWYUNVMAPS-JKIFEVAISA-N 0 1 383.330 3.485 20 0 GGADMN C[C@@H]1C[C@H](C)CN(CC[N@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594239273 998911916 /nfs/dbraw/zinc/91/19/16/998911916.db2.gz TXKIPWYUNVMAPS-JKIFEVAISA-N 0 1 383.330 3.485 20 0 GGADMN C[C@@H]1C[C@H](C)CN(CC[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC001594239273 998911921 /nfs/dbraw/zinc/91/19/21/998911921.db2.gz TXKIPWYUNVMAPS-JKIFEVAISA-N 0 1 383.330 3.485 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC[N@H+]1C ZINC001594245006 998934798 /nfs/dbraw/zinc/93/47/98/998934798.db2.gz CXXDEPKHUHPKJB-BYCMXARLSA-N 0 1 387.402 3.112 20 0 GGADMN COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCOc2cccc(C(=O)[O-])c2)sc1C ZINC001599016034 998939108 /nfs/dbraw/zinc/93/91/08/998939108.db2.gz XLTJPXRNCUIPKL-HNNXBMFYSA-N 0 1 390.461 3.152 20 0 GGADMN COC(=O)c1nc([C@@H]2CCC[N@H+]2CCOc2cccc(C(=O)[O-])c2)sc1C ZINC001599016034 998939111 /nfs/dbraw/zinc/93/91/11/998939111.db2.gz XLTJPXRNCUIPKL-HNNXBMFYSA-N 0 1 390.461 3.152 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC001594245886 998940293 /nfs/dbraw/zinc/94/02/93/998940293.db2.gz QEVDJCLJALOUGA-CRAIPNDOSA-N 0 1 382.464 3.297 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC001594245889 998940481 /nfs/dbraw/zinc/94/04/81/998940481.db2.gz QEVDJCLJALOUGA-YJBOKZPZSA-N 0 1 382.464 3.297 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c(C(=O)[O-])c1C ZINC001599020162 998972011 /nfs/dbraw/zinc/97/20/11/998972011.db2.gz BOCQLEOHOHKJBI-LBPRGKRZSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c(C(=O)[O-])c1C ZINC001599020162 998972016 /nfs/dbraw/zinc/97/20/16/998972016.db2.gz BOCQLEOHOHKJBI-LBPRGKRZSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)c(C(=O)[O-])c1C ZINC001599020161 998972149 /nfs/dbraw/zinc/97/21/49/998972149.db2.gz BOCQLEOHOHKJBI-GFCCVEGCSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c(C(=O)[O-])c1C ZINC001599020161 998972153 /nfs/dbraw/zinc/97/21/53/998972153.db2.gz BOCQLEOHOHKJBI-GFCCVEGCSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)c(C(=O)[O-])c1C ZINC001599020431 998974387 /nfs/dbraw/zinc/97/43/87/998974387.db2.gz IACFTUOYEOVCKS-SNVBAGLBSA-N 0 1 396.490 3.234 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)c(C(=O)[O-])c1C ZINC001599020431 998974392 /nfs/dbraw/zinc/97/43/92/998974392.db2.gz IACFTUOYEOVCKS-SNVBAGLBSA-N 0 1 396.490 3.234 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C[N@H+]1Cc1ccccc1 ZINC001594253640 998976732 /nfs/dbraw/zinc/97/67/32/998976732.db2.gz ROXLEROWQMSLIY-IIBYNOLFSA-N 0 1 393.487 3.116 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@]2(C)CC(C)C)c(C(=O)[O-])c1C ZINC001599020721 998976755 /nfs/dbraw/zinc/97/67/55/998976755.db2.gz FYOGFIMAHGFGSV-LJQANCHMSA-N 0 1 396.509 3.380 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC001594254123 998979052 /nfs/dbraw/zinc/97/90/52/998979052.db2.gz YARNLZFCLKTCPS-VGYLUTEMSA-N 0 1 385.508 3.078 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC001594254119 998979106 /nfs/dbraw/zinc/97/91/06/998979106.db2.gz YARNLZFCLKTCPS-KIQACKJLSA-N 0 1 385.508 3.078 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@@H+](CC(C)C)C2CCCC2)c(C(=O)[O-])c1C ZINC001599021146 998980056 /nfs/dbraw/zinc/98/00/56/998980056.db2.gz NFZCXZBGPBPJBX-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594254844 998981468 /nfs/dbraw/zinc/98/14/68/998981468.db2.gz GMLFVJRUHZMMIR-DYESRHJHSA-N 0 1 395.503 3.166 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594254847 998981620 /nfs/dbraw/zinc/98/16/20/998981620.db2.gz GMLFVJRUHZMMIR-UTKZUKDTSA-N 0 1 395.503 3.166 20 0 GGADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]2CCC(C)C)c(C(=O)[O-])c1C ZINC001599021319 998981701 /nfs/dbraw/zinc/98/17/01/998981701.db2.gz OLBPWHKSQLCSSP-ZDUSSCGKSA-N 0 1 396.509 3.380 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C)C2CCCCC2)c(C(=O)[O-])c1C ZINC001599021433 998982244 /nfs/dbraw/zinc/98/22/44/998982244.db2.gz ZRWNLJUPPWMXBJ-UHFFFAOYSA-N 0 1 382.482 3.134 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001594260534 999003951 /nfs/dbraw/zinc/00/39/51/999003951.db2.gz PCLBWMRQBMNFCY-BXYJRTLCSA-N 0 1 390.480 3.151 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001594260539 999004246 /nfs/dbraw/zinc/00/42/46/999004246.db2.gz PCLBWMRQBMNFCY-WNEOQSQQSA-N 0 1 390.480 3.151 20 0 GGADMN CC1CC(n2nnc3c2C[N@H+](Cc2ccc(C(=O)[O-])c4cccnc24)CC3)C1 ZINC001594272772 999056596 /nfs/dbraw/zinc/05/65/96/999056596.db2.gz VCSBXGKRRMIMEJ-UHFFFAOYSA-N 0 1 377.448 3.054 20 0 GGADMN CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(C(=O)[O-])c4cccnc24)CC3)C1 ZINC001594272772 999056600 /nfs/dbraw/zinc/05/66/00/999056600.db2.gz VCSBXGKRRMIMEJ-UHFFFAOYSA-N 0 1 377.448 3.054 20 0 GGADMN CO[C@@](C)(C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1)C1CC1 ZINC001599036954 999090112 /nfs/dbraw/zinc/09/01/12/999090112.db2.gz ODTCIVBMDIQKFY-JZXOWHBKSA-N 0 1 382.298 3.364 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594285932 999107054 /nfs/dbraw/zinc/10/70/54/999107054.db2.gz QEVVBZJCYNRSPP-XTBFLFJDSA-N 0 1 384.398 3.068 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H](C(=O)[O-])c3ccc(C(F)(F)F)cc3)C[N@H+]2C1 ZINC001594285929 999107159 /nfs/dbraw/zinc/10/71/59/999107159.db2.gz QEVVBZJCYNRSPP-OYNZBZHQSA-N 0 1 384.398 3.068 20 0 GGADMN C[C@@H]1CC2(C[N@H+]1C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594286377 999108443 /nfs/dbraw/zinc/10/84/43/999108443.db2.gz VPJPEQPDBLDDMP-MCIONIFRSA-N 0 1 388.455 3.064 20 0 GGADMN C[C@@H]1CC2(C[N@H+]1C[C@H]1[C@H](C(=O)[O-])C1(F)F)CCN(C(=O)OC(C)(C)C)CC2 ZINC001594286370 999108549 /nfs/dbraw/zinc/10/85/49/999108549.db2.gz VPJPEQPDBLDDMP-HZSPNIEDSA-N 0 1 388.455 3.064 20 0 GGADMN C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C[C@H](C)O2 ZINC001594288047 999114762 /nfs/dbraw/zinc/11/47/62/999114762.db2.gz YJNCOGRZZUZROI-VNVHMNPZSA-N 0 1 387.398 3.490 20 0 GGADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@]2(CCO[C@H](C)C2)O1 ZINC001594288049 999114974 /nfs/dbraw/zinc/11/49/74/999114974.db2.gz YJNCOGRZZUZROI-ZHCAMHROSA-N 0 1 387.398 3.490 20 0 GGADMN C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(Br)c(C(=O)[O-])c3)C[N@H+]2C1 ZINC001594290805 999119970 /nfs/dbraw/zinc/11/99/70/999119970.db2.gz GSMWNBBEZIAEPG-NTZNESFSSA-N 0 1 381.270 3.206 20 0 GGADMN C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(Br)c(C(=O)[O-])c3)C[N@H+]2C1 ZINC001594290803 999120094 /nfs/dbraw/zinc/12/00/94/999120094.db2.gz GSMWNBBEZIAEPG-MDZLAQPJSA-N 0 1 381.270 3.206 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@H+]([C@@H](C(=O)[O-])c3ccsc3)CC2)cs1 ZINC001599041411 999120298 /nfs/dbraw/zinc/12/02/98/999120298.db2.gz AGWRYPZCODXIGU-CZUORRHYSA-N 0 1 395.550 3.246 20 0 GGADMN CO[C@@H](C)c1nc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cs1 ZINC001599042867 999130240 /nfs/dbraw/zinc/13/02/40/999130240.db2.gz RIGGBFBZXPLMAB-RYUDHWBXSA-N 0 1 377.466 3.056 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001594295364 999136352 /nfs/dbraw/zinc/13/63/52/999136352.db2.gz HUOWMSCQABYXTB-CABCVRRESA-N 0 1 376.497 3.465 20 0 GGADMN C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001594300482 999160467 /nfs/dbraw/zinc/16/04/67/999160467.db2.gz SGWMXHXOCDLEHA-ZAZJYDDPSA-N 0 1 388.386 3.088 20 0 GGADMN COC(C[N@H+](CCC(=O)[O-])Cc1cc2cc(Cl)ccc2nc1Cl)OC ZINC001599047518 999160787 /nfs/dbraw/zinc/16/07/87/999160787.db2.gz GPYPZPLWCCUFOX-UHFFFAOYSA-N 0 1 387.263 3.437 20 0 GGADMN COC(C[N@@H+](CCC(=O)[O-])Cc1cc2cc(Cl)ccc2nc1Cl)OC ZINC001599047518 999160788 /nfs/dbraw/zinc/16/07/88/999160788.db2.gz GPYPZPLWCCUFOX-UHFFFAOYSA-N 0 1 387.263 3.437 20 0 GGADMN CO[C@H](C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1)C1CCCCC1 ZINC001599048860 999172262 /nfs/dbraw/zinc/17/22/62/999172262.db2.gz ZOVGGXKMHGKDFL-YHHIVYBXSA-N 0 1 395.540 3.336 20 0 GGADMN C[C@@H](C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001594303306 999173970 /nfs/dbraw/zinc/17/39/70/999173970.db2.gz TUUQRUFEAXCPAR-MJBXVCDLSA-N 0 1 387.505 3.386 20 0 GGADMN C[C@H](NC(=O)C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21)c1ccc(F)cc1 ZINC001594323153 999245967 /nfs/dbraw/zinc/24/59/67/999245967.db2.gz QYPNMAMHLTVLDF-GTQRCTGISA-N 0 1 384.451 3.470 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)[N@H+]1CCCC[C@H]1C ZINC001594373998 999409091 /nfs/dbraw/zinc/40/90/91/999409091.db2.gz GGZWGRUTUCCHHK-OLZOCXBDSA-N 0 1 399.438 3.413 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001594375006 999413790 /nfs/dbraw/zinc/41/37/90/999413790.db2.gz INTXEGDCTAILRI-ZIAGYGMSSA-N 0 1 394.541 3.109 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001594375002 999413974 /nfs/dbraw/zinc/41/39/74/999413974.db2.gz INTXEGDCTAILRI-KGLIPLIRSA-N 0 1 394.541 3.109 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594375189 999414536 /nfs/dbraw/zinc/41/45/36/999414536.db2.gz KRRZPAJANHCLNP-IUODEOHRSA-N 0 1 387.402 3.162 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594375263 999414820 /nfs/dbraw/zinc/41/48/20/999414820.db2.gz MJGQDOYCKHGCSZ-IRXDYDNUSA-N 0 1 391.560 3.042 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594375258 999415111 /nfs/dbraw/zinc/41/51/11/999415111.db2.gz MJGQDOYCKHGCSZ-DLBZAZTESA-N 0 1 391.560 3.042 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594375413 999416125 /nfs/dbraw/zinc/41/61/25/999416125.db2.gz RBBZWMTUHREWPG-GFCCVEGCSA-N 0 1 383.286 3.142 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1 ZINC001594375475 999416603 /nfs/dbraw/zinc/41/66/03/999416603.db2.gz UFLBGIHETMXMEI-FKICDVMDSA-N 0 1 391.556 3.172 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001594376228 999418756 /nfs/dbraw/zinc/41/87/56/999418756.db2.gz FSDWQXFSWZIRTP-HNNXBMFYSA-N 0 1 385.464 3.352 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001594376387 999419887 /nfs/dbraw/zinc/41/98/87/999419887.db2.gz NRFGSCQOFINSJJ-MRXNPFEDSA-N 0 1 381.476 3.013 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001594376644 999421845 /nfs/dbraw/zinc/42/18/45/999421845.db2.gz ZMKPSSWRTSULID-MONBJTKQSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380377 999436307 /nfs/dbraw/zinc/43/63/07/999436307.db2.gz KWOCEHVFHUUACY-MAUKXSAKSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cncc(C(=O)[O-])c2)C1 ZINC001594380377 999436310 /nfs/dbraw/zinc/43/63/10/999436310.db2.gz KWOCEHVFHUUACY-MAUKXSAKSA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(C(=O)[O-])cn2)C1 ZINC001594380807 999439884 /nfs/dbraw/zinc/43/98/84/999439884.db2.gz WTANNBXREXNSFN-QAPCUYQASA-N 0 1 375.469 3.003 20 0 GGADMN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])cn2)C1 ZINC001594380807 999439886 /nfs/dbraw/zinc/43/98/86/999439886.db2.gz WTANNBXREXNSFN-QAPCUYQASA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001594380903 999440423 /nfs/dbraw/zinc/44/04/23/999440423.db2.gz YLZRBZSHDSQBEU-DLBZAZTESA-N 0 1 391.560 3.213 20 0 GGADMN CC(C)Oc1c(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1C(=O)[O-] ZINC001594382323 999441055 /nfs/dbraw/zinc/44/10/55/999441055.db2.gz AFIOCJGFSCCVAR-HUUCEWRRSA-N 0 1 377.485 3.414 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](CC(=O)[O-])C3CC3)cc2)C1 ZINC001594382763 999444021 /nfs/dbraw/zinc/44/40/21/999444021.db2.gz BVMPFTPUVQVATP-JXFKEZNVSA-N 0 1 387.524 3.219 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(CC(=O)[O-])n2)C1 ZINC001594383066 999445936 /nfs/dbraw/zinc/44/59/36/999445936.db2.gz FZEGLDOYHUNTGI-MRXNPFEDSA-N 0 1 396.491 3.262 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC001594383165 999446154 /nfs/dbraw/zinc/44/61/54/999446154.db2.gz KWDRONIWJXOLQP-STQMWFEESA-N 0 1 399.438 3.271 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC001594383105 999446375 /nfs/dbraw/zinc/44/63/75/999446375.db2.gz HEUDTBVBVSTAIX-MONBJTKQSA-N 0 1 399.535 3.315 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC001594383163 999446647 /nfs/dbraw/zinc/44/66/47/999446647.db2.gz KWDRONIWJXOLQP-QWHCGFSZSA-N 0 1 399.438 3.271 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594383732 999449880 /nfs/dbraw/zinc/44/98/80/999449880.db2.gz QAYFIXWIVFXDAK-MDZRGWNJSA-N 0 1 387.524 3.224 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ncc(C(=O)[O-])s2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594384354 999455441 /nfs/dbraw/zinc/45/54/41/999455441.db2.gz MWHTYBRNEZGCFE-OLZOCXBDSA-N 0 1 383.514 3.357 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ncc(C(=O)[O-])s2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001594384354 999455444 /nfs/dbraw/zinc/45/54/44/999455444.db2.gz MWHTYBRNEZGCFE-OLZOCXBDSA-N 0 1 383.514 3.357 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594384656 999458331 /nfs/dbraw/zinc/45/83/31/999458331.db2.gz XNQWSECWXJKACZ-NEPJUHHUSA-N 0 1 398.301 3.389 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001594384788 999458939 /nfs/dbraw/zinc/45/89/39/999458939.db2.gz UODQEKQSFOVNCD-WGGBDISSSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CC(=O)[O-])CC3)cc2)C1 ZINC001594384784 999459106 /nfs/dbraw/zinc/45/91/06/999459106.db2.gz UMHZBXNTQAJGSA-QGZVFWFLSA-N 0 1 387.524 3.315 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001594385214 999462020 /nfs/dbraw/zinc/46/20/20/999462020.db2.gz YGBQQAGTRWYZHQ-FUHIMQAGSA-N 0 1 387.524 3.361 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC001594401125 999501638 /nfs/dbraw/zinc/50/16/38/999501638.db2.gz TZFOAEWGJWZNEH-QKPAOTATSA-N 0 1 376.522 3.478 20 0 GGADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C[C@H]1n1ccnc1 ZINC001594412618 999542086 /nfs/dbraw/zinc/54/20/86/999542086.db2.gz POOQXIZRGIWGRN-WQVCFCJDSA-N 0 1 378.270 3.354 20 0 GGADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594412929 999543427 /nfs/dbraw/zinc/54/34/27/999543427.db2.gz VXGPCUINPQQCEU-KEYYUXOJSA-N 0 1 380.460 3.434 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001594414842 999551417 /nfs/dbraw/zinc/55/14/17/999551417.db2.gz QUGIFLHNNIFWCK-UWGQAIRJSA-N 0 1 397.519 3.180 20 0 GGADMN C[C@H]1CCSCC[N@H+]1Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001594440180 999624663 /nfs/dbraw/zinc/62/46/63/999624663.db2.gz KOBKETLZFRLMJN-JTQLQIEISA-N 0 1 384.299 3.282 20 0 GGADMN C[C@@H]1CCSCC[N@H+]1Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001594440181 999624726 /nfs/dbraw/zinc/62/47/26/999624726.db2.gz KOBKETLZFRLMJN-SNVBAGLBSA-N 0 1 384.299 3.282 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCSC[C@H]3C)c2C(=O)[O-])C1 ZINC001594443155 999630328 /nfs/dbraw/zinc/63/03/28/999630328.db2.gz ALTQVOXPCLUYQO-VXGBXAGGSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCSC[C@H]3C)c2C(=O)[O-])C1 ZINC001594443155 999630329 /nfs/dbraw/zinc/63/03/29/999630329.db2.gz ALTQVOXPCLUYQO-VXGBXAGGSA-N 0 1 382.551 3.337 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(C[N@H+]4C[C@@H]5CCC[C@@H]5[C@@H]4C(=O)[O-])nc(N)c32)C1 ZINC001594444158 999632748 /nfs/dbraw/zinc/63/27/48/999632748.db2.gz NIJQHEPFWSYRTD-XSLLRJJBSA-N 0 1 386.521 3.083 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@H](c4ccccn4)C3)c2C(=O)[O-])C1 ZINC001594444288 999633182 /nfs/dbraw/zinc/63/31/82/999633182.db2.gz NZUPVOVSOQIGIB-KGLIPLIRSA-N 0 1 399.516 3.394 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@H](c4ccccn4)C3)c2C(=O)[O-])C1 ZINC001594444288 999633184 /nfs/dbraw/zinc/63/31/84/999633184.db2.gz NZUPVOVSOQIGIB-KGLIPLIRSA-N 0 1 399.516 3.394 20 0 GGADMN C[C@@H](C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)C1CC1)C(=O)[O-] ZINC001594444631 999634674 /nfs/dbraw/zinc/63/46/74/999634674.db2.gz WYWPDFPOEWJKNC-RYUDHWBXSA-N 0 1 388.537 3.126 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC001594444654 999634696 /nfs/dbraw/zinc/63/46/96/999634696.db2.gz XFPRVNBEZHSGBX-YNEHKIRRSA-N 0 1 388.537 3.126 20 0 GGADMN C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594462292 999673724 /nfs/dbraw/zinc/67/37/24/999673724.db2.gz HAHQJVVYJDXJQP-INIZCTEOSA-N 0 1 376.472 3.035 20 0 GGADMN C[C@@H]1CN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC[N@@H+]1CCC(=O)[O-] ZINC001594462313 999674263 /nfs/dbraw/zinc/67/42/63/999674263.db2.gz HMCYZUPQGGDXNU-SNVBAGLBSA-N 0 1 395.233 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594462313 999674264 /nfs/dbraw/zinc/67/42/64/999674264.db2.gz HMCYZUPQGGDXNU-SNVBAGLBSA-N 0 1 395.233 3.093 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC[N@H+]1CCC(=O)[O-] ZINC001594463647 999678854 /nfs/dbraw/zinc/67/88/54/999678854.db2.gz XITRBOPRRYCHRM-OAHLLOKOSA-N 0 1 378.900 3.159 20 0 GGADMN C[C@@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594465081 999682066 /nfs/dbraw/zinc/68/20/66/999682066.db2.gz KPNAJNZQMYMSPY-MSOLQXFVSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@H]1CN(C(=O)CCOc2ccccc2-c2ccccc2)CC[N@H+]1CCC(=O)[O-] ZINC001594465643 999684246 /nfs/dbraw/zinc/68/42/46/999684246.db2.gz TWFOOMNVNILDCY-SFHVURJKSA-N 0 1 396.487 3.130 20 0 GGADMN C[C@@H]1CN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001594473584 999707542 /nfs/dbraw/zinc/70/75/42/999707542.db2.gz NVPYZGGUZIYWNZ-MSOLQXFVSA-N 0 1 387.524 3.326 20 0 GGADMN Cc1ccc(-c2ncc(C[NH2+][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])s2)cc1 ZINC000277466514 1126079143 /nfs/dbraw/zinc/07/91/43/1126079143.db2.gz VVEIOLPKIJTRJW-OAHLLOKOSA-N 0 1 376.478 3.393 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CN[C@H](CO)Cc1ccccc1C ZINC000191671730 1126077695 /nfs/dbraw/zinc/07/76/95/1126077695.db2.gz HBEVVCOQLFRZCS-FQEVSTJZSA-N 0 1 393.487 3.051 20 0 GGADMN CCCc1csc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])n1 ZINC000417578180 1126080690 /nfs/dbraw/zinc/08/06/90/1126080690.db2.gz NCNGRMSOFKOOLI-OAHLLOKOSA-N 0 1 376.478 3.042 20 0 GGADMN COc1cc(C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)[O-])cc(OC)c1 ZINC000417577878 1126080666 /nfs/dbraw/zinc/08/06/66/1126080666.db2.gz XIWWOWHFQGGUSA-OAHLLOKOSA-N 0 1 378.494 3.243 20 0 GGADMN COc1cc(C[C@H]([NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])cc(OC)c1 ZINC000426801565 1126091228 /nfs/dbraw/zinc/09/12/28/1126091228.db2.gz UTVACVBZQCLJRE-PXAZEXFGSA-N 0 1 390.505 3.071 20 0 GGADMN COC(=O)c1ccc(Cl)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1 ZINC000482234217 1126094909 /nfs/dbraw/zinc/09/49/09/1126094909.db2.gz LBGRYGYVAQQUEJ-IRXDYDNUSA-N 0 1 383.822 3.454 20 0 GGADMN Cn1c(CN[C@@]2(CO)COc3ccccc3C2)nc2cc(C(F)(F)F)ccc21 ZINC000527769540 1126096182 /nfs/dbraw/zinc/09/61/82/1126096182.db2.gz QWGNUPHAQGAGHE-IBGZPJMESA-N 0 1 391.393 3.048 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1F ZINC000597057157 1126098635 /nfs/dbraw/zinc/09/86/35/1126098635.db2.gz LOJUVRWAZVDMFY-IRXDYDNUSA-N 0 1 385.357 3.236 20 0 GGADMN COC(=O)c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1F ZINC000597057156 1126098643 /nfs/dbraw/zinc/09/86/43/1126098643.db2.gz LOJUVRWAZVDMFY-IAGOWNOFSA-N 0 1 385.357 3.236 20 0 GGADMN O[C@H]([C@H](Cc1ccccc1)NCc1cccc2c1OCCCO2)C(F)(F)F ZINC000604766093 1126099773 /nfs/dbraw/zinc/09/97/73/1126099773.db2.gz ORXBTPGREIPPEP-QFBILLFUSA-N 0 1 381.394 3.472 20 0 GGADMN O[C@@H]([C@H](Cc1ccccc1)NCc1cccc2c1OCCCO2)C(F)(F)F ZINC000604766092 1126099797 /nfs/dbraw/zinc/09/97/97/1126099797.db2.gz ORXBTPGREIPPEP-LPHOPBHVSA-N 0 1 381.394 3.472 20 0 GGADMN COc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(OC)c1OC ZINC000604766033 1126099824 /nfs/dbraw/zinc/09/98/24/1126099824.db2.gz MZMMNUOBAGVPLS-HNAYVOBHSA-N 0 1 399.409 3.337 20 0 GGADMN CN(C)C(=O)c1cccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000640562241 1126102719 /nfs/dbraw/zinc/10/27/19/1126102719.db2.gz FVVGUWWAHITTHJ-ZWKOTPCHSA-N 0 1 380.410 3.013 20 0 GGADMN COc1cc(F)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000651711329 1126103826 /nfs/dbraw/zinc/10/38/26/1126103826.db2.gz GSRGFTAOVDPJGE-YJBOKZPZSA-N 0 1 387.373 3.467 20 0 GGADMN Cc1nn2c(nc(C)c2CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000678929766 1126105592 /nfs/dbraw/zinc/10/55/92/1126105592.db2.gz MZYYVSRFTKSNPE-ZFWWWQNUSA-N 0 1 384.427 3.032 20 0 GGADMN Cc1ccccc1C[C@@H](CO)NCc1ccccc1I ZINC000786156798 1126109646 /nfs/dbraw/zinc/10/96/46/1126109646.db2.gz FWFPKZDLDWLREN-INIZCTEOSA-N 0 1 381.257 3.293 20 0 GGADMN Cc1cccc(C[C@@H](CO)NCc2ccccc2I)c1 ZINC000786162369 1126109792 /nfs/dbraw/zinc/10/97/92/1126109792.db2.gz DGNKBLLNWRJPES-INIZCTEOSA-N 0 1 381.257 3.293 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCc2cnc(NC(=O)OC(C)(C)C)s2)C1(C)C ZINC000800266703 1126110593 /nfs/dbraw/zinc/11/05/93/1126110593.db2.gz KENHTGOXXYAZMZ-ACJLOTCBSA-N 0 1 385.530 3.146 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCc2cnc(NC(=O)OC(C)(C)C)s2)C1(C)C ZINC000800266707 1126110625 /nfs/dbraw/zinc/11/06/25/1126110625.db2.gz KENHTGOXXYAZMZ-UGSOOPFHSA-N 0 1 385.530 3.146 20 0 GGADMN COc1cc(C[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C(=O)[O-])cc(OC)c1 ZINC000864508215 1126113222 /nfs/dbraw/zinc/11/32/22/1126113222.db2.gz WVTBRXHHXDZDJW-HNNXBMFYSA-N 0 1 378.494 3.243 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN[C@@H](CO)Cc2ccccc2)on1 ZINC000820887064 1126111216 /nfs/dbraw/zinc/11/12/16/1126111216.db2.gz SSEZZQKUXJBHNA-MRXNPFEDSA-N 0 1 389.496 3.128 20 0 GGADMN OC[C@@H](Cc1ccc(F)cc1)NCc1ccccc1I ZINC000766488285 1126108993 /nfs/dbraw/zinc/10/89/93/1126108993.db2.gz KMZMPXGHCKBDRW-OAHLLOKOSA-N 0 1 385.220 3.124 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nccn2Cc2ccccc2)cc1OC ZINC000873191567 1126119429 /nfs/dbraw/zinc/11/94/29/1126119429.db2.gz PNZPVAVEESOBRV-QHCPKHFHSA-N 0 1 395.503 3.032 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2occc2Br)cc1OC ZINC000873192065 1126120181 /nfs/dbraw/zinc/12/01/81/1126120181.db2.gz XMMKTCGGWDKECA-QGZVFWFLSA-N 0 1 384.270 3.143 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc3c(s2)CCCC3)cc1OC ZINC000873192226 1126120240 /nfs/dbraw/zinc/12/02/40/1126120240.db2.gz AWLVVZLJQRFUBY-FQEVSTJZSA-N 0 1 376.522 3.122 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(CSC)s2)cc1OC ZINC000873192666 1126120705 /nfs/dbraw/zinc/12/07/05/1126120705.db2.gz IQLZWJMKKFKZAW-SFHVURJKSA-N 0 1 382.551 3.107 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(Br)cc2F)cc1 ZINC000873191006 1126118630 /nfs/dbraw/zinc/11/86/30/1126118630.db2.gz NJPYMWZXFOBNKH-KRWDZBQOSA-N 0 1 383.261 3.075 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1ccc(Oc2ccccc2)nn1 ZINC000931602786 1126136405 /nfs/dbraw/zinc/13/64/05/1126136405.db2.gz IBVXAMKEIXTNEK-QFIPXVFZSA-N 0 1 379.460 3.361 20 0 GGADMN COc1ccc(-c2nc(CN[C@](C)(CO)Cc3ccccc3OC)co2)cc1 ZINC000931607058 1126137606 /nfs/dbraw/zinc/13/76/06/1126137606.db2.gz LHYYFTKWWHDTNO-QFIPXVFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000933429630 1126139055 /nfs/dbraw/zinc/13/90/55/1126139055.db2.gz SUAVYLWIZXZBGW-HXUWFJFHSA-N 0 1 387.505 3.106 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2cc(-c3ccccc3)on2)cc1OC ZINC000933441456 1126141831 /nfs/dbraw/zinc/14/18/31/1126141831.db2.gz BLBZGILOQORFLD-QFIPXVFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(Cl)cc2Cl)cc1OC ZINC000933446792 1126143878 /nfs/dbraw/zinc/14/38/78/1126143878.db2.gz SLUIFUPUIDPWPU-SFHVURJKSA-N 0 1 385.291 3.489 20 0 GGADMN O=C([O-])[C@@H](Cc1cnc[nH]1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001262163675 1126161294 /nfs/dbraw/zinc/16/12/94/1126161294.db2.gz BQFHKJOYFKOSKX-GFCCVEGCSA-N 0 1 381.276 3.233 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nc(-c3ccccc3)c[nH]2)cc1OC ZINC001335949051 1126180236 /nfs/dbraw/zinc/18/02/36/1126180236.db2.gz JSDSSMLTCBTJPM-JOCHJYFZSA-N 0 1 381.476 3.177 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1cn(-c2ccc(Cl)cc2)nn1 ZINC001460691292 1126191419 /nfs/dbraw/zinc/19/14/19/1126191419.db2.gz AJBZEUWLWSSUAW-HXUWFJFHSA-N 0 1 386.883 3.013 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc3c(s2)C[C@@H](C)CC3)cc1OC ZINC001461735610 1126196857 /nfs/dbraw/zinc/19/68/57/1126196857.db2.gz NOPSQBMJELNOSI-QKKBWIMNSA-N 0 1 390.549 3.368 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2cccc(O)c2Br)cc1 ZINC001651519946 1126253193 /nfs/dbraw/zinc/25/31/93/1126253193.db2.gz BZJXQLATGWKERV-SFHVURJKSA-N 0 1 380.282 3.247 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC001654935432 1126254219 /nfs/dbraw/zinc/25/42/19/1126254219.db2.gz BGVABRSWVNXBHZ-HXUWFJFHSA-N 0 1 386.883 3.013 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC001654935431 1126254302 /nfs/dbraw/zinc/25/43/02/1126254302.db2.gz BGVABRSWVNXBHZ-FQEVSTJZSA-N 0 1 386.883 3.013 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC001654935873 1126254525 /nfs/dbraw/zinc/25/45/25/1126254525.db2.gz NNOVHHZIXYMGHR-NRFANRHFSA-N 0 1 387.430 3.242 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1cccc(O)c1Br ZINC001662974992 1126266030 /nfs/dbraw/zinc/26/60/30/1126266030.db2.gz GUBJZQXFMOUCBE-SFHVURJKSA-N 0 1 380.282 3.247 20 0 GGADMN COc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1F ZINC000018085600 210212927 /nfs/dbraw/zinc/21/29/27/210212927.db2.gz LKKAHSHOABJUNN-UHFFFAOYSA-N 0 1 391.874 3.421 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000017803807 210212035 /nfs/dbraw/zinc/21/20/35/210212035.db2.gz HRTMZUOUIUMWHF-QGZVFWFLSA-N 0 1 380.579 3.252 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000017803802 210211752 /nfs/dbraw/zinc/21/17/52/210211752.db2.gz HRTMZUOUIUMWHF-KRWDZBQOSA-N 0 1 380.579 3.252 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000017911292 210211560 /nfs/dbraw/zinc/21/15/60/210211560.db2.gz DEKXIEQWBHPGQX-HXUWFJFHSA-N 0 1 382.460 3.049 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 ZINC000016641366 210192264 /nfs/dbraw/zinc/19/22/64/210192264.db2.gz GBSVUPHUTUDAKQ-UHFFFAOYSA-N 0 1 389.458 3.205 20 0 GGADMN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1OC ZINC000016002833 210180854 /nfs/dbraw/zinc/18/08/54/210180854.db2.gz LBXWNTRGJQNGDV-UHFFFAOYSA-N 0 1 389.883 3.361 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000014867625 210129147 /nfs/dbraw/zinc/12/91/47/210129147.db2.gz ZLIPACQMDVZYDY-UHFFFAOYSA-N 0 1 393.408 3.218 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(F)cc(F)c1 ZINC000014187504 210109101 /nfs/dbraw/zinc/10/91/01/210109101.db2.gz GMPKVJWGMUFYQW-PKOBYXMFSA-N 0 1 378.444 3.270 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000014124175 210105129 /nfs/dbraw/zinc/10/51/29/210105129.db2.gz YJEFGNFFYVTVEM-CYBMUJFWSA-N 0 1 390.281 3.126 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(F)c1 ZINC000012996727 210044326 /nfs/dbraw/zinc/04/43/26/210044326.db2.gz WRKKXLWLMZTGIG-OAHLLOKOSA-N 0 1 385.361 3.195 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)[C@H]1COc2ccccc2C1)N1CCCC1 ZINC000012923059 210029204 /nfs/dbraw/zinc/02/92/04/210029204.db2.gz GLULVFZPFDFYEV-QUCCMNQESA-N 0 1 380.488 3.200 20 0 GGADMN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012886436 210023178 /nfs/dbraw/zinc/02/31/78/210023178.db2.gz LQMSAGIETNPVOB-UHFFFAOYSA-N 0 1 387.487 3.456 20 0 GGADMN CCN(CC)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000012796600 210011227 /nfs/dbraw/zinc/01/12/27/210011227.db2.gz QCJCVGQNBINDGQ-UHFFFAOYSA-N 0 1 378.542 3.073 20 0 GGADMN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCc1ccc(Cl)cc1 ZINC000012758358 210003088 /nfs/dbraw/zinc/00/30/88/210003088.db2.gz LVJHNMKGPWRHBZ-QGZVFWFLSA-N 0 1 385.895 3.307 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000498542755 532726205 /nfs/dbraw/zinc/72/62/05/532726205.db2.gz VYCAFPBYXRCUHH-UHFFFAOYSA-N 0 1 380.239 3.052 20 0 GGADMN NC(=O)c1csc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC000097106017 209241389 /nfs/dbraw/zinc/24/13/89/209241389.db2.gz WKMQMLXBVXLFNR-SFHVURJKSA-N 0 1 376.441 3.243 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)N4CCCCCC4)C3)[nH]c2c1 ZINC000095462069 209236497 /nfs/dbraw/zinc/23/64/97/209236497.db2.gz SCUREBOCNLNVDN-INIZCTEOSA-N 0 1 376.526 3.172 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CN1C[C@@H](C)C[C@H]1c1cccnc1)CC2 ZINC000359882328 209200635 /nfs/dbraw/zinc/20/06/35/209200635.db2.gz VUXPAPZNGOUUQG-JXFKEZNVSA-N 0 1 395.503 3.067 20 0 GGADMN Cn1cc[nH+]c1[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1F ZINC000359896761 209199342 /nfs/dbraw/zinc/19/93/42/209199342.db2.gz JVNCJDFSSOWTAB-MRXNPFEDSA-N 0 1 399.369 3.044 20 0 GGADMN COC(=O)CSCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000359878895 209199407 /nfs/dbraw/zinc/19/94/07/209199407.db2.gz YEZJRPKJRUTDCC-BEFAXECRSA-N 0 1 398.956 3.135 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@H+]2CCC3(C2)CCC(C)CC3)C1=O ZINC000359871309 209197212 /nfs/dbraw/zinc/19/72/12/209197212.db2.gz NYXFIYUFUOVNFL-PYGWLIJMSA-N 0 1 384.476 3.227 20 0 GGADMN CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccc(Cl)c2)C1 ZINC000359868968 209196940 /nfs/dbraw/zinc/19/69/40/209196940.db2.gz KJLHEXAPJWAWKD-BJLQDIEVSA-N 0 1 391.943 3.098 20 0 GGADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000116400555 209182390 /nfs/dbraw/zinc/18/23/90/209182390.db2.gz RGVGNGXXJPRBMM-CQSZACIVSA-N 0 1 394.269 3.425 20 0 GGADMN CC(C)(C)c1cnc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)o1 ZINC000328602980 209144342 /nfs/dbraw/zinc/14/43/42/209144342.db2.gz DONXNCGLYQKBQP-SPLOXXLWSA-N 0 1 394.479 3.366 20 0 GGADMN CN1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)CC1 ZINC000097334383 211361776 /nfs/dbraw/zinc/36/17/76/211361776.db2.gz YAZYKLRPQIXNTF-UHFFFAOYSA-N 0 1 390.281 3.414 20 0 GGADMN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCCN(C)CC4)cc3)o2)c1 ZINC000097089242 211356773 /nfs/dbraw/zinc/35/67/73/211356773.db2.gz GSVNZKLENJAJFC-UHFFFAOYSA-N 0 1 376.460 3.490 20 0 GGADMN O=C(CSc1c[nH]nn1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000097012107 211355551 /nfs/dbraw/zinc/35/55/51/211355551.db2.gz MUYFRFPTKFKZPR-LLVKDONJSA-N 0 1 375.504 3.398 20 0 GGADMN CCc1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c2ccccc2n1 ZINC000095995725 211293236 /nfs/dbraw/zinc/29/32/36/211293236.db2.gz NVRGNINWNOXOMM-UHFFFAOYSA-N 0 1 381.461 3.188 20 0 GGADMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)OCCO2 ZINC000095980225 211290673 /nfs/dbraw/zinc/29/06/73/211290673.db2.gz HFCLFQASLDBBJU-OAHLLOKOSA-N 0 1 396.491 3.137 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(CN3CCSCC3)c2)c1C ZINC000095957142 211287029 /nfs/dbraw/zinc/28/70/29/211287029.db2.gz XZMHDPNXBCMKMK-UHFFFAOYSA-N 0 1 387.505 3.219 20 0 GGADMN Cc1c(C(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)ccc2cncn21 ZINC000095468001 211245662 /nfs/dbraw/zinc/24/56/62/211245662.db2.gz GYKJPVVTJCWMQF-QGZVFWFLSA-N 0 1 394.475 3.223 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc4c3CN(CC(C)C)C4)cc12 ZINC000095455182 211241806 /nfs/dbraw/zinc/24/18/06/211241806.db2.gz SCTXMSZCCRPZGQ-UHFFFAOYSA-N 0 1 399.520 3.049 20 0 GGADMN COc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000089375070 211180409 /nfs/dbraw/zinc/18/04/09/211180409.db2.gz JFNOPCVAKACXJQ-ACJLOTCBSA-N 0 1 377.847 3.306 20 0 GGADMN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000084536060 211170513 /nfs/dbraw/zinc/17/05/13/211170513.db2.gz LWZKQWQJOUSEJD-UPVQGACJSA-N 0 1 380.532 3.259 20 0 GGADMN O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(CCN2CCOCC2)CC1 ZINC000084137190 211166779 /nfs/dbraw/zinc/16/67/79/211166779.db2.gz YSYIIRVYFXOCGQ-IRXDYDNUSA-N 0 1 376.463 3.316 20 0 GGADMN O=S(=O)(N1CCCCC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000078967306 211150636 /nfs/dbraw/zinc/15/06/36/211150636.db2.gz OHRPJQCVPZIUSA-UHFFFAOYSA-N 0 1 391.581 3.238 20 0 GGADMN O=C(NCc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1)c1cccs1 ZINC000079021356 211153222 /nfs/dbraw/zinc/15/32/22/211153222.db2.gz RLMFFTCLKFHMQU-UHFFFAOYSA-N 0 1 377.429 3.202 20 0 GGADMN CC[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCC1=O ZINC000072313301 211088514 /nfs/dbraw/zinc/08/85/14/211088514.db2.gz XHYJGGQOKPZLML-NSHDSACASA-N 0 1 375.650 3.148 20 0 GGADMN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1[nH]nc2ccccc21 ZINC000072310414 211088255 /nfs/dbraw/zinc/08/82/55/211088255.db2.gz PPKUUKZKRHTPDG-LBPRGKRZSA-N 0 1 393.365 3.094 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1OC ZINC000072301041 211084803 /nfs/dbraw/zinc/08/48/03/211084803.db2.gz GVRXOOLGHLGSAL-UHFFFAOYSA-N 0 1 377.340 3.229 20 0 GGADMN Cc1ccccc1CN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000056093810 210891641 /nfs/dbraw/zinc/89/16/41/210891641.db2.gz CJRFMTSSZCCCIF-UHFFFAOYSA-N 0 1 380.460 3.216 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000045327236 210823400 /nfs/dbraw/zinc/82/34/00/210823400.db2.gz XTMONXPIUPEYCS-UHFFFAOYSA-N 0 1 378.398 3.264 20 0 GGADMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021880992 210397348 /nfs/dbraw/zinc/39/73/48/210397348.db2.gz MUFQHJQVLZSCCF-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)CC1 ZINC000021345966 210382379 /nfs/dbraw/zinc/38/23/79/210382379.db2.gz MYDOLWVVSOJXLY-CYBMUJFWSA-N 0 1 375.494 3.154 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3cc(=O)n4cc(C)sc4n3)n2)cc1 ZINC000020982727 210371496 /nfs/dbraw/zinc/37/14/96/210371496.db2.gz YBXOWSDGCXIWRD-UHFFFAOYSA-N 0 1 385.474 3.150 20 0 GGADMN CCOc1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000020889947 210366994 /nfs/dbraw/zinc/36/69/94/210366994.db2.gz UJMSDSYWZUFUAT-UHFFFAOYSA-N 0 1 382.508 3.419 20 0 GGADMN O=C(Nc1cccc(Br)c1)N1CCC(CN2CCOCC2)CC1 ZINC000020532057 210343851 /nfs/dbraw/zinc/34/38/51/210343851.db2.gz MQTXOWOMGDRQGV-UHFFFAOYSA-N 0 1 382.302 3.025 20 0 GGADMN CCOC(=O)C1C(CNc2ccc(OCC)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283280 210327136 /nfs/dbraw/zinc/32/71/36/210327136.db2.gz MMUVRZWQFRWHRF-FQEVSTJZSA-N 0 1 395.459 3.369 20 0 GGADMN O=C(CN1CCOc2ccccc21)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000059402980 136155638 /nfs/dbraw/zinc/15/56/38/136155638.db2.gz SWSWQPSERUWMRV-UHFFFAOYSA-N 0 1 376.338 3.419 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1Br ZINC000040419590 551134326 /nfs/dbraw/zinc/13/43/26/551134326.db2.gz QEOXYKAWEFKRBQ-UHFFFAOYSA-N 0 1 377.285 3.332 20 0 GGADMN CCCN1CCC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000116439291 564210759 /nfs/dbraw/zinc/21/07/59/564210759.db2.gz GCBDRPASCNVYCB-LBPRGKRZSA-N 0 1 394.203 3.382 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000119529939 564275393 /nfs/dbraw/zinc/27/53/93/564275393.db2.gz DMXPWXYEWFEQAW-VXGBXAGGSA-N 0 1 389.721 3.332 20 0 GGADMN O=S1(=O)CC[C@H](NCc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000046836292 564509478 /nfs/dbraw/zinc/50/94/78/564509478.db2.gz BMTAHWUJELLRRK-ZDUSSCGKSA-N 0 1 386.336 3.454 20 0 GGADMN O[C@@H]1CCCC[C@H]1CNCc1c(Br)cncc1Br ZINC000394514397 565571470 /nfs/dbraw/zinc/57/14/70/565571470.db2.gz CTRJMPZKIBFNLK-TVQRCGJNSA-N 0 1 378.108 3.247 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405530557 565586614 /nfs/dbraw/zinc/58/66/14/565586614.db2.gz MNPYOPGAIAHKIJ-GXSJLCMTSA-N 0 1 393.652 3.487 20 0 GGADMN CC[C@@H](C)NC(=O)CCNCc1cc(Cl)ccc1I ZINC000405823488 565587434 /nfs/dbraw/zinc/58/74/34/565587434.db2.gz XFMWLZOSNXNOAO-SNVBAGLBSA-N 0 1 394.684 3.339 20 0 GGADMN CC(C)(C)[C@H](CCO)NCc1ncc(Br)cc1Br ZINC000231076298 565931424 /nfs/dbraw/zinc/93/14/24/565931424.db2.gz ZIPSOAQBGSNTEO-LBPRGKRZSA-N 0 1 380.124 3.493 20 0 GGADMN O=S(=O)(Nc1ccc(I)cn1)c1ccc(Cl)cc1 ZINC000114846688 564183130 /nfs/dbraw/zinc/18/31/30/564183130.db2.gz CGZBBIWFQGPOEG-UHFFFAOYSA-N 0 1 394.621 3.140 20 0 GGADMN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])[C@H](C)C1 ZINC000115271028 564189879 /nfs/dbraw/zinc/18/98/79/564189879.db2.gz HCUCNBCHSRHBRQ-CZUORRHYSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])[C@H](C)C1 ZINC000115271028 564189881 /nfs/dbraw/zinc/18/98/81/564189881.db2.gz HCUCNBCHSRHBRQ-CZUORRHYSA-N 0 1 399.329 3.022 20 0 GGADMN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000115313241 564190453 /nfs/dbraw/zinc/19/04/53/564190453.db2.gz RPFWGDXNXLSPSR-DEOSSOPVSA-N 0 1 393.408 3.265 20 0 GGADMN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000115313006 564190526 /nfs/dbraw/zinc/19/05/26/564190526.db2.gz GSRFNRBJWUKEND-FQEVSTJZSA-N 0 1 388.308 3.128 20 0 GGADMN O=C(Nc1cc[nH]n1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000115349282 564191775 /nfs/dbraw/zinc/19/17/75/564191775.db2.gz IVZDMHDPYZFMPT-UHFFFAOYSA-N 0 1 376.825 3.116 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S)c1cccs1 ZINC000115524952 564195172 /nfs/dbraw/zinc/19/51/72/564195172.db2.gz AGCYIOIKMAYHDW-LLVKDONJSA-N 0 1 393.563 3.150 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(I)cc1 ZINC000115902305 564200521 /nfs/dbraw/zinc/20/05/21/564200521.db2.gz UXOBKMRGQWGPIZ-INIZCTEOSA-N 0 1 393.224 3.303 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(I)cc1 ZINC000115902305 564200525 /nfs/dbraw/zinc/20/05/25/564200525.db2.gz UXOBKMRGQWGPIZ-INIZCTEOSA-N 0 1 393.224 3.303 20 0 GGADMN COCCn1ncc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc21 ZINC000116274166 564207128 /nfs/dbraw/zinc/20/71/28/564207128.db2.gz PWHMWUZQAMRISN-UHFFFAOYSA-N 0 1 383.832 3.276 20 0 GGADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000116711787 564215041 /nfs/dbraw/zinc/21/50/41/564215041.db2.gz FBSHFZFUYSQUPL-JOCHJYFZSA-N 0 1 375.874 3.467 20 0 GGADMN COCCOC1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000116885590 564218776 /nfs/dbraw/zinc/21/87/76/564218776.db2.gz IZUKGRQAMWCZPY-UHFFFAOYSA-N 0 1 389.323 3.079 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000005884291 564219346 /nfs/dbraw/zinc/21/93/46/564219346.db2.gz DOEGQDHZNVACMM-UHFFFAOYSA-N 0 1 378.759 3.259 20 0 GGADMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCCCC1 ZINC000006085056 564220552 /nfs/dbraw/zinc/22/05/52/564220552.db2.gz KOIYOEKVGUBIGX-UHFFFAOYSA-N 0 1 381.299 3.339 20 0 GGADMN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(Br)c1 ZINC000006315359 564222255 /nfs/dbraw/zinc/22/22/55/564222255.db2.gz KMHRMMVJLWYSDD-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1OC ZINC000006415911 564223124 /nfs/dbraw/zinc/22/31/24/564223124.db2.gz XYFJEHGFKBDPFP-UHFFFAOYSA-N 0 1 377.340 3.403 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cnc1Cl ZINC000117227754 564223718 /nfs/dbraw/zinc/22/37/18/564223718.db2.gz AXUVLELELJTKIL-UHFFFAOYSA-N 0 1 379.869 3.080 20 0 GGADMN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000007051045 564230792 /nfs/dbraw/zinc/23/07/92/564230792.db2.gz QTLRJEZDGVXACN-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007251863 564234211 /nfs/dbraw/zinc/23/42/11/564234211.db2.gz KZFDIQFWJGGBPT-SNVBAGLBSA-N 0 1 383.315 3.487 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)s1 ZINC000007323875 564235396 /nfs/dbraw/zinc/23/53/96/564235396.db2.gz YMPJZZXNEQUURE-UHFFFAOYSA-N 0 1 376.253 3.098 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000118161600 564236609 /nfs/dbraw/zinc/23/66/09/564236609.db2.gz GFGCGULNGRDLND-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)ccc1OC(C)C ZINC000118301271 564238644 /nfs/dbraw/zinc/23/86/44/564238644.db2.gz FLXBENCUMHKUPU-UHFFFAOYSA-N 0 1 377.388 3.342 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(Br)cc2)N(C)C)c1 ZINC000007684470 564240116 /nfs/dbraw/zinc/24/01/16/564240116.db2.gz FGMYYIBFBYLYRC-KRWDZBQOSA-N 0 1 377.282 3.490 20 0 GGADMN Cc1cc(N(C)C)nc(NCc2cnc3c(C)cc(Br)cn23)n1 ZINC000507751230 564242252 /nfs/dbraw/zinc/24/22/52/564242252.db2.gz OMFMFDYYUOKQSR-UHFFFAOYSA-N 0 1 375.274 3.182 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)Nc2c(C)nn(C)c2C)cc1Br ZINC000007879665 564242438 /nfs/dbraw/zinc/24/24/38/564242438.db2.gz ZWFMFCBZIFTBHQ-JTQLQIEISA-N 0 1 395.301 3.097 20 0 GGADMN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000007940333 564243847 /nfs/dbraw/zinc/24/38/47/564243847.db2.gz VOGRSMNJKBWIMB-UHFFFAOYSA-N 0 1 390.408 3.084 20 0 GGADMN O=C(Nc1ccc(Br)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000118786728 564245896 /nfs/dbraw/zinc/24/58/96/564245896.db2.gz ITFMFVGHBSGTQW-AWEZNQCLSA-N 0 1 382.302 3.025 20 0 GGADMN COc1ccc(CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000008115301 564245859 /nfs/dbraw/zinc/24/58/59/564245859.db2.gz RGUFSDJJGBLZHH-UHFFFAOYSA-N 0 1 387.237 3.424 20 0 GGADMN CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCN(C)C1 ZINC000118841478 564247577 /nfs/dbraw/zinc/24/75/77/564247577.db2.gz VLGZTYYVPYMQOL-ZDUSSCGKSA-N 0 1 379.353 3.041 20 0 GGADMN O=[S@@](CCN1CCC[C@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000119010869 564250232 /nfs/dbraw/zinc/25/02/32/564250232.db2.gz NOIBJIZFNHKAAH-RKNYENMMSA-N 0 1 387.336 3.105 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119028665 564251144 /nfs/dbraw/zinc/25/11/44/564251144.db2.gz MDRZMIPQGLFUEU-STQMWFEESA-N 0 1 382.295 3.324 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCc2c(Br)ccc(F)c2C1 ZINC000119055574 564253415 /nfs/dbraw/zinc/25/34/15/564253415.db2.gz VQZGIGVBOSVJAW-UHFFFAOYSA-N 0 1 381.249 3.004 20 0 GGADMN CS[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000119243665 564262161 /nfs/dbraw/zinc/26/21/61/564262161.db2.gz ALDMAPIJCJNCJS-DOMZBBRYSA-N 0 1 375.460 3.330 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3cc(Cl)ccc3Cl)cn2)CC1 ZINC000011556598 564264112 /nfs/dbraw/zinc/26/41/12/564264112.db2.gz WXXRBOVTXMXLJQ-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN Cn1cccc1CNCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000119325184 564266098 /nfs/dbraw/zinc/26/60/98/564266098.db2.gz XTTNIUNOTJUQMR-UHFFFAOYSA-N 0 1 385.327 3.130 20 0 GGADMN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCN1CCCCC1 ZINC000012179342 564266616 /nfs/dbraw/zinc/26/66/16/564266616.db2.gz SCPDMWCEPBEQSG-UHFFFAOYSA-N 0 1 380.901 3.084 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000119359897 564267130 /nfs/dbraw/zinc/26/71/30/564267130.db2.gz HLVZYMMFMKICMJ-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000119375769 564267895 /nfs/dbraw/zinc/26/78/95/564267895.db2.gz ZIYQAGMBRQLKNE-UHFFFAOYSA-N 0 1 395.388 3.301 20 0 GGADMN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000012650029 564269147 /nfs/dbraw/zinc/26/91/47/564269147.db2.gz WIULYAVRSMLKGR-UHFFFAOYSA-N 0 1 382.417 3.045 20 0 GGADMN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Br ZINC000012737707 564270234 /nfs/dbraw/zinc/27/02/34/564270234.db2.gz GXMQJGVMHXMHRI-INIZCTEOSA-N 0 1 389.293 3.462 20 0 GGADMN CN(CC(=O)Nc1ccccc1Br)C(=O)c1c(O)cccc1F ZINC000119469650 564272368 /nfs/dbraw/zinc/27/23/68/564272368.db2.gz IWFDBEBZYRYJRR-UHFFFAOYSA-N 0 1 381.201 3.005 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000119529737 564275442 /nfs/dbraw/zinc/27/54/42/564275442.db2.gz DMXPWXYEWFEQAW-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(Br)cc1 ZINC000013592998 564277434 /nfs/dbraw/zinc/27/74/34/564277434.db2.gz FWHDTQHTRKKRJQ-SNVBAGLBSA-N 0 1 387.237 3.082 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000014097709 564279389 /nfs/dbraw/zinc/27/93/89/564279389.db2.gz XXPDDBLSUXUDJA-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccccc2-n2ccnn2)ccc1Br ZINC000119755150 564286813 /nfs/dbraw/zinc/28/68/13/564286813.db2.gz UWJPXQNRMOLNPC-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN Cc1ccc(I)cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000119764623 564287029 /nfs/dbraw/zinc/28/70/29/564287029.db2.gz GSRGBSXSAWWPBD-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)nc1 ZINC000016091999 564291346 /nfs/dbraw/zinc/29/13/46/564291346.db2.gz NUKJEYBESYCYBS-RDJZCZTQSA-N 0 1 377.897 3.040 20 0 GGADMN C[C@@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)N1CCC[C@H](C)C1 ZINC000119883191 564292857 /nfs/dbraw/zinc/29/28/57/564292857.db2.gz YJEAGKFOECDEQV-GJZGRUSLSA-N 0 1 382.957 3.493 20 0 GGADMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC(=O)NCc1cccs1 ZINC000016657222 564295183 /nfs/dbraw/zinc/29/51/83/564295183.db2.gz ZYRYLDFIAMPFQX-UHFFFAOYSA-N 0 1 380.882 3.396 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)c(O)c2)c1 ZINC000120064794 564302696 /nfs/dbraw/zinc/30/26/96/564302696.db2.gz GDPGLIHXLQALMM-SNVBAGLBSA-N 0 1 393.237 3.380 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cccnc2Br)N(C)C)c1 ZINC000120155643 564307172 /nfs/dbraw/zinc/30/71/72/564307172.db2.gz OIZBVNIPCRDVHK-HNNXBMFYSA-N 0 1 393.285 3.277 20 0 GGADMN CCOc1ccc2nc(NC(=O)CSc3nc(C4CC4)n[nH]3)sc2c1 ZINC000021736612 564311654 /nfs/dbraw/zinc/31/16/54/564311654.db2.gz ZSNZFPGTDGZYPK-UHFFFAOYSA-N 0 1 375.479 3.421 20 0 GGADMN CCOc1ccc2nc(NC(=O)CSc3n[nH]c(C4CC4)n3)sc2c1 ZINC000021736612 564311658 /nfs/dbraw/zinc/31/16/58/564311658.db2.gz ZSNZFPGTDGZYPK-UHFFFAOYSA-N 0 1 375.479 3.421 20 0 GGADMN O=S(=O)(NCCc1ccc(Br)s1)c1c(F)cccc1F ZINC000021968617 564313292 /nfs/dbraw/zinc/31/32/92/564313292.db2.gz OAUQTSXQEJRKAY-UHFFFAOYSA-N 0 1 382.251 3.310 20 0 GGADMN C[C@H]1CN(Cc2csc(NC(=O)c3cc(Cl)ccc3O)n2)C[C@H](C)O1 ZINC000022325531 564316399 /nfs/dbraw/zinc/31/63/99/564316399.db2.gz RXPMDOUXWMWJBR-QWRGUYRKSA-N 0 1 381.885 3.364 20 0 GGADMN C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Cl)ccc3O)n2)C[C@H](C)O1 ZINC000022325526 564316620 /nfs/dbraw/zinc/31/66/20/564316620.db2.gz RXPMDOUXWMWJBR-PHIMTYICSA-N 0 1 381.885 3.364 20 0 GGADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)Nc1nncs1 ZINC000022705023 564319116 /nfs/dbraw/zinc/31/91/16/564319116.db2.gz ZJQMGOCESZLHPP-UHFFFAOYSA-N 0 1 375.479 3.110 20 0 GGADMN CC(C)(COc1ncccc1Br)NCc1cn2ccccc2n1 ZINC000120457272 564320588 /nfs/dbraw/zinc/32/05/88/564320588.db2.gz IFCANYRFCNFOPN-UHFFFAOYSA-N 0 1 375.270 3.439 20 0 GGADMN COc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc(OC)c1 ZINC000022957386 564321371 /nfs/dbraw/zinc/32/13/71/564321371.db2.gz GGJZGQZPOBWAGZ-UHFFFAOYSA-N 0 1 377.340 3.403 20 0 GGADMN Cn1ccnc1[C@@H](O)C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000120504898 564322980 /nfs/dbraw/zinc/32/29/80/564322980.db2.gz DJZALGATTNLZKM-SJORKVTESA-N 0 1 384.307 3.206 20 0 GGADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1F ZINC000120515311 564324118 /nfs/dbraw/zinc/32/41/18/564324118.db2.gz YDHMZNSJJMRMIO-UHFFFAOYSA-N 0 1 379.434 3.183 20 0 GGADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000120515153 564324149 /nfs/dbraw/zinc/32/41/49/564324149.db2.gz ADQWDAGSUHVAMN-UHFFFAOYSA-N 0 1 375.471 3.434 20 0 GGADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1F ZINC000120551675 564326037 /nfs/dbraw/zinc/32/60/37/564326037.db2.gz YQTKYBNUKDQZAS-UHFFFAOYSA-N 0 1 397.371 3.049 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000120552462 564326154 /nfs/dbraw/zinc/32/61/54/564326154.db2.gz JZDGBXIEVCVDLB-JTQLQIEISA-N 0 1 386.308 3.455 20 0 GGADMN Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000476045840 564326161 /nfs/dbraw/zinc/32/61/61/564326161.db2.gz QTFHLWWSIYNSBX-UHFFFAOYSA-N 0 1 397.236 3.238 20 0 GGADMN CCc1c(NC(=O)c2cc[nH]c(=O)c2)[nH]nc1-c1ccc(Br)cc1 ZINC000120566483 564327106 /nfs/dbraw/zinc/32/71/06/564327106.db2.gz BKMGFOUAVBOFQP-UHFFFAOYSA-N 0 1 387.237 3.342 20 0 GGADMN Cc1cc(=O)n2nc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)sc2n1 ZINC000024075372 564328391 /nfs/dbraw/zinc/32/83/91/564328391.db2.gz WKKDEZFNISLRLN-UHFFFAOYSA-N 0 1 390.881 3.190 20 0 GGADMN CCCCn1nnnc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000024107818 564328405 /nfs/dbraw/zinc/32/84/05/564328405.db2.gz SOJOSILTYYVSBW-UHFFFAOYSA-N 0 1 394.302 3.313 20 0 GGADMN C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC(=O)NC(C)(C)C ZINC000024075351 564328422 /nfs/dbraw/zinc/32/84/22/564328422.db2.gz YTQIRHFGDQWZCC-VIFPVBQESA-N 0 1 381.889 3.230 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000024430032 564330880 /nfs/dbraw/zinc/33/08/80/564330880.db2.gz XIBPAWVVPURMLS-UHFFFAOYSA-N 0 1 375.324 3.173 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccccc2Br)cc1NC(C)=O ZINC000024437579 564330916 /nfs/dbraw/zinc/33/09/16/564330916.db2.gz GCEQEYQHCVWENO-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC(=O)NCC(F)(F)F ZINC000024599451 564331470 /nfs/dbraw/zinc/33/14/70/564331470.db2.gz WBSGYKRREPCWJO-ZCFIWIBFSA-N 0 1 380.779 3.085 20 0 GGADMN COc1ccc2nc(SCC(=O)c3ccc(CNC(C)=O)s3)[nH]c2c1 ZINC000024707146 564332283 /nfs/dbraw/zinc/33/22/83/564332283.db2.gz UYCVIPPUIRSZBV-UHFFFAOYSA-N 0 1 375.475 3.244 20 0 GGADMN COc1ccccc1COC[C@H](O)CN(C)Cc1ccc(Br)o1 ZINC000120687476 564332937 /nfs/dbraw/zinc/33/29/37/564332937.db2.gz VTRSOAAOXOXQOJ-CQSZACIVSA-N 0 1 384.270 3.060 20 0 GGADMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(=O)NCC(F)(F)F ZINC000025257048 564336878 /nfs/dbraw/zinc/33/68/78/564336878.db2.gz HAODPFOTLRYMRG-GZMMTYOYSA-N 0 1 395.834 3.243 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCc1nc(-c2ccsc2)no1)c1ccsc1 ZINC000025331159 564337481 /nfs/dbraw/zinc/33/74/81/564337481.db2.gz CALPQFAQRTZAIU-AWEZNQCLSA-N 0 1 376.507 3.211 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cccc(C)c3Br)C2)CC1 ZINC000120811890 564337740 /nfs/dbraw/zinc/33/77/40/564337740.db2.gz DLACSXZKEKLWBC-OAHLLOKOSA-N 0 1 395.345 3.001 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2NC1=O ZINC000025328869 564337960 /nfs/dbraw/zinc/33/79/60/564337960.db2.gz QVQSHMVETHEBDZ-ABAIWWIYSA-N 0 1 375.519 3.214 20 0 GGADMN COc1ccsc1S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000120807487 564338123 /nfs/dbraw/zinc/33/81/23/564338123.db2.gz GAAIMYWUPFGLQQ-AWEZNQCLSA-N 0 1 380.535 3.261 20 0 GGADMN CCOC(=O)c1sc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1C ZINC000025450153 564338811 /nfs/dbraw/zinc/33/88/11/564338811.db2.gz POEAEZPEKCFFBZ-UHFFFAOYSA-N 0 1 382.511 3.380 20 0 GGADMN Oc1cccc(N2CCN(CCOc3cccc(Br)c3)CC2)c1 ZINC000120882291 564341073 /nfs/dbraw/zinc/34/10/73/564341073.db2.gz HOUXFTPHPIILMN-UHFFFAOYSA-N 0 1 377.282 3.356 20 0 GGADMN CCNC(=O)C(C)(C)CNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000120875965 564341224 /nfs/dbraw/zinc/34/12/24/564341224.db2.gz DCGDLRCFCNMEQG-UHFFFAOYSA-N 0 1 379.302 3.091 20 0 GGADMN CSc1nc(C)c(CCC(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1 ZINC000025812680 564341929 /nfs/dbraw/zinc/34/19/29/564341929.db2.gz RYXFGZJIVYXFKS-INIZCTEOSA-N 0 1 378.567 3.229 20 0 GGADMN COc1ccsc1S(=O)(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000120933933 564344315 /nfs/dbraw/zinc/34/43/15/564344315.db2.gz HHAZMSUWANOSGP-UHFFFAOYSA-N 0 1 388.898 3.349 20 0 GGADMN CNC(=O)CCN1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000026201720 564344353 /nfs/dbraw/zinc/34/43/53/564344353.db2.gz UJWXUEYSWXDRLW-UHFFFAOYSA-N 0 1 377.941 3.322 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)c(Br)c1 ZINC000026541986 564347589 /nfs/dbraw/zinc/34/75/89/564347589.db2.gz USIRHCHWAHVRCN-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000121012887 564348157 /nfs/dbraw/zinc/34/81/57/564348157.db2.gz OMFZXZXPUDJFMQ-ZDUSSCGKSA-N 0 1 377.897 3.225 20 0 GGADMN CNC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000026678390 564348716 /nfs/dbraw/zinc/34/87/16/564348716.db2.gz MJNQVWNNYRFRAT-UHFFFAOYSA-N 0 1 399.248 3.451 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2Br)oc1C ZINC000121021577 564349170 /nfs/dbraw/zinc/34/91/70/564349170.db2.gz APAAFFUGDIDXQW-UHFFFAOYSA-N 0 1 388.239 3.246 20 0 GGADMN O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC000026833005 564349648 /nfs/dbraw/zinc/34/96/48/564349648.db2.gz KYTUSQDJLCOLOS-UHFFFAOYSA-N 0 1 382.888 3.206 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000026877781 564350460 /nfs/dbraw/zinc/35/04/60/564350460.db2.gz QAGKIFWIUCNCET-RKDXNWHRSA-N 0 1 394.337 3.479 20 0 GGADMN CCC[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000121062532 564351132 /nfs/dbraw/zinc/35/11/32/564351132.db2.gz MQZFNHBREDKIBC-CQSZACIVSA-N 0 1 396.329 3.016 20 0 GGADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000543534045 564353443 /nfs/dbraw/zinc/35/34/43/564353443.db2.gz LNVCEBUTOAYEAT-QWHCGFSZSA-N 0 1 377.539 3.387 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(Br)ccc1O ZINC000027334221 564353490 /nfs/dbraw/zinc/35/34/90/564353490.db2.gz IJOCJKIUXDXJRA-AWEZNQCLSA-N 0 1 379.254 3.315 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(OCCN(C)Cc2ccc(Cl)s2)cc1 ZINC000027359881 564354099 /nfs/dbraw/zinc/35/40/99/564354099.db2.gz OWSBBPBLTYWEQH-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(OCCN(C)Cc2ccccc2Cl)cc1 ZINC000027350230 564354109 /nfs/dbraw/zinc/35/41/09/564354109.db2.gz LNAVANHSZGWUBX-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN COc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1 ZINC000121139240 564355015 /nfs/dbraw/zinc/35/50/15/564355015.db2.gz WGBTVIWYABTVOT-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000121159139 564355774 /nfs/dbraw/zinc/35/57/74/564355774.db2.gz QNIUWEYVHPCETA-OAHLLOKOSA-N 0 1 380.275 3.351 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000028013719 564358560 /nfs/dbraw/zinc/35/85/60/564358560.db2.gz FHSOFUCKBUJDDV-ZDUSSCGKSA-N 0 1 389.721 3.189 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000121235802 564359867 /nfs/dbraw/zinc/35/98/67/564359867.db2.gz FNMDQOSSXPQGRL-SFHVURJKSA-N 0 1 395.341 3.471 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1-n1cnnn1 ZINC000028261110 564361744 /nfs/dbraw/zinc/36/17/44/564361744.db2.gz PTKDGKSZZGMEEH-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc(Br)cc3cccnc32)n[nH]1 ZINC000543761307 564362734 /nfs/dbraw/zinc/36/27/34/564362734.db2.gz OAFFTPALPSGQCA-UHFFFAOYSA-N 0 1 389.209 3.149 20 0 GGADMN O=C1CSc2ccc(NS(=O)(=O)c3ccccc3Br)cc2N1 ZINC000028810211 564364416 /nfs/dbraw/zinc/36/44/16/564364416.db2.gz IMLDSGCBAFJNFA-UHFFFAOYSA-N 0 1 399.291 3.294 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000028813323 564364574 /nfs/dbraw/zinc/36/45/74/564364574.db2.gz PSANKKQVAUPEGK-LLVKDONJSA-N 0 1 383.853 3.245 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2ccc(Cl)cc2)nn1)c1cccs1 ZINC000028834753 564364761 /nfs/dbraw/zinc/36/47/61/564364761.db2.gz WKGDZXVEAJYDMM-OAHLLOKOSA-N 0 1 375.885 3.015 20 0 GGADMN COc1cccc(CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c1 ZINC000028900138 564365832 /nfs/dbraw/zinc/36/58/32/564365832.db2.gz DETIQXBGYYEAGC-UHFFFAOYSA-N 0 1 387.237 3.424 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000121432927 564368921 /nfs/dbraw/zinc/36/89/21/564368921.db2.gz LBJTWBUGCJUBHU-UHFFFAOYSA-N 0 1 385.396 3.440 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000121432927 564368926 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C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000030628138 564383548 /nfs/dbraw/zinc/38/35/48/564383548.db2.gz LGZXMKZNKPWOKW-NSHDSACASA-N 0 1 380.901 3.354 20 0 GGADMN O=C(Nc1ccc(F)cc1)c1nnc(CSc2nc(C3CC3)n[nH]2)s1 ZINC000030698741 564383564 /nfs/dbraw/zinc/38/35/64/564383564.db2.gz ZWTQZPWPQDTPTJ-UHFFFAOYSA-N 0 1 376.442 3.217 20 0 GGADMN O=C(Nc1ccc(F)cc1)c1nnc(CSc2n[nH]c(C3CC3)n2)s1 ZINC000030698741 564383568 /nfs/dbraw/zinc/38/35/68/564383568.db2.gz ZWTQZPWPQDTPTJ-UHFFFAOYSA-N 0 1 376.442 3.217 20 0 GGADMN O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1cc(-c2ccco2)n[nH]1 ZINC000030607001 564383737 /nfs/dbraw/zinc/38/37/37/564383737.db2.gz KTDCWOAERJFMKH-UHFFFAOYSA-N 0 1 399.208 3.470 20 0 GGADMN COc1ccc(Br)cc1CNCc1ccccc1Cn1cncn1 ZINC000030900770 564385515 /nfs/dbraw/zinc/38/55/15/564385515.db2.gz WLKXKXFJZKXLBI-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000121759585 564385827 /nfs/dbraw/zinc/38/58/27/564385827.db2.gz 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O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1cccc(Cl)c1Cl ZINC000032592287 564402346 /nfs/dbraw/zinc/40/23/46/564402346.db2.gz ZFIYDTGPGXGJFZ-UHFFFAOYSA-N 0 1 383.260 3.434 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000032791449 564405238 /nfs/dbraw/zinc/40/52/38/564405238.db2.gz KPGIWIALTSHGNK-NWDGAFQWSA-N 0 1 390.281 3.226 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000032791450 564405702 /nfs/dbraw/zinc/40/57/02/564405702.db2.gz KPGIWIALTSHGNK-RYUDHWBXSA-N 0 1 390.281 3.226 20 0 GGADMN COc1ccc(CN[C@@H](C)CS(=O)(=O)c2ccccc2)cc1Br ZINC000122296372 564407886 /nfs/dbraw/zinc/40/78/86/564407886.db2.gz UXKORCIRLCIZPV-ZDUSSCGKSA-N 0 1 398.322 3.410 20 0 GGADMN CN1CCCN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC1 ZINC000122324051 564408597 /nfs/dbraw/zinc/40/85/97/564408597.db2.gz KVJXKKXHARIJNZ-UHFFFAOYSA-N 0 1 377.897 3.432 20 0 GGADMN CCOc1ccc2nc(SCc3csc(CC(=O)N(C)C)n3)[nH]c2c1 ZINC000033144814 564410495 /nfs/dbraw/zinc/41/04/95/564410495.db2.gz 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Nc1cc(N)nc(SCCOc2ccc(Cl)cc2Br)n1 ZINC000040418923 564427353 /nfs/dbraw/zinc/42/73/53/564427353.db2.gz RXFBIYJMJDSULB-UHFFFAOYSA-N 0 1 375.679 3.228 20 0 GGADMN CC1CCN(CCNS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000040436037 564428471 /nfs/dbraw/zinc/42/84/71/564428471.db2.gz LIQYXPWKBVAGIK-UHFFFAOYSA-N 0 1 395.750 3.113 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000122822272 564428553 /nfs/dbraw/zinc/42/85/53/564428553.db2.gz RMZAFMYFQJUSRU-IBGZPJMESA-N 0 1 394.337 3.357 20 0 GGADMN O=C(NCCN1CCCCC1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041134858 564429468 /nfs/dbraw/zinc/42/94/68/564429468.db2.gz FPYVUEOWCAIJDO-UHFFFAOYSA-N 0 1 378.687 3.187 20 0 GGADMN Cc1cc2cc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)oc2c(Br)c1 ZINC000122986862 564434580 /nfs/dbraw/zinc/43/45/80/564434580.db2.gz WMRSBQRNQFKRPY-SNVBAGLBSA-N 0 1 390.241 3.037 20 0 GGADMN Cc1nnnn1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000041616201 564434978 /nfs/dbraw/zinc/43/49/78/564434978.db2.gz CUPHUNRYBALDPR-UHFFFAOYSA-N 0 1 384.248 3.078 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)c1cccs1 ZINC000123089987 564438527 /nfs/dbraw/zinc/43/85/27/564438527.db2.gz BLRVVSPNESRFEU-KBPBESRZSA-N 0 1 395.322 3.406 20 0 GGADMN NC(=O)C1(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCCCC1 ZINC000123255666 564442932 /nfs/dbraw/zinc/44/29/32/564442932.db2.gz PUNGCEXACBMYRR-UHFFFAOYSA-N 0 1 378.687 3.363 20 0 GGADMN C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000123332405 564445033 /nfs/dbraw/zinc/44/50/33/564445033.db2.gz XGQPHMDHFMZTDD-OLZOCXBDSA-N 0 1 394.265 3.268 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)N1CCN(C)CC1 ZINC000042579766 564447981 /nfs/dbraw/zinc/44/79/81/564447981.db2.gz OHERWMVWIHHQDQ-MRXNPFEDSA-N 0 1 376.303 3.134 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000042580370 564448167 /nfs/dbraw/zinc/44/81/67/564448167.db2.gz PUWQHBNBOJXQFO-YJBOKZPZSA-N 0 1 383.989 3.209 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000042580365 564448196 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Cc1cc(Br)ccc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000043449034 564458371 /nfs/dbraw/zinc/45/83/71/564458371.db2.gz POVWHBSQAFTMRA-ZIAGYGMSSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000043449035 564458592 /nfs/dbraw/zinc/45/85/92/564458592.db2.gz POVWHBSQAFTMRA-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000043728887 564461117 /nfs/dbraw/zinc/46/11/17/564461117.db2.gz PUPKXBPVNBZLQD-UHFFFAOYSA-N 0 1 391.269 3.069 20 0 GGADMN O=C(COc1ccc(Cl)cc1Cl)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000043765818 564462129 /nfs/dbraw/zinc/46/21/29/564462129.db2.gz YOTMRBPVFVXIMI-HNNXBMFYSA-N 0 1 387.307 3.086 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000043820454 564462212 /nfs/dbraw/zinc/46/22/12/564462212.db2.gz SFYXWJDJDWXHPU-HNNXBMFYSA-N 0 1 384.318 3.236 20 0 GGADMN Cc1nn(C)c2ncc(NS(=O)(=O)c3cc(C)ccc3Br)cc12 ZINC000123909682 564465294 /nfs/dbraw/zinc/46/52/94/564465294.db2.gz VVALHTQYYWMHGS-UHFFFAOYSA-N 0 1 395.282 3.148 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 ZINC000123896709 564465330 /nfs/dbraw/zinc/46/53/30/564465330.db2.gz TZBAEAWDXMPVAA-UHFFFAOYSA-N 0 1 397.294 3.260 20 0 GGADMN CN1CC[C@H](CNC(=O)COCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123905802 564465613 /nfs/dbraw/zinc/46/56/13/564465613.db2.gz AOQFVHKUASXWKO-ABAIWWIYSA-N 0 1 382.785 3.167 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2oc(Br)cc2C)N(C)C)c1 ZINC000044314278 564466466 /nfs/dbraw/zinc/46/64/66/564466466.db2.gz DMEIVFBJFZDOMR-CQSZACIVSA-N 0 1 381.270 3.392 20 0 GGADMN O=C(NCCN1CCCC1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000044340855 564467736 /nfs/dbraw/zinc/46/77/36/564467736.db2.gz CNHCADIBKQJGNX-UHFFFAOYSA-N 0 1 393.281 3.447 20 0 GGADMN O=C(NCCN1CCCC1)c1ccc(COc2cccc(Br)c2)o1 ZINC000044340820 564467980 /nfs/dbraw/zinc/46/79/80/564467980.db2.gz LOGAVROSCLPWLI-UHFFFAOYSA-N 0 1 393.281 3.447 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cn2)CC1 ZINC000124004322 564468283 /nfs/dbraw/zinc/46/82/83/564468283.db2.gz OLFSEQCTZTUGMN-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000124087623 564471103 /nfs/dbraw/zinc/47/11/03/564471103.db2.gz ZVTJUZZZUCNPOM-ORPWPGRKSA-N 0 1 383.510 3.378 20 0 GGADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@H]1CCS(=O)(=O)C1 ZINC000044863058 564474073 /nfs/dbraw/zinc/47/40/73/564474073.db2.gz FCMKUCUAXPBADJ-GFCCVEGCSA-N 0 1 388.320 3.012 20 0 GGADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1cccc(OCCF)c1 ZINC000124206387 564474720 /nfs/dbraw/zinc/47/47/20/564474720.db2.gz NTDLCCZXOVGTPK-UHFFFAOYSA-N 0 1 386.832 3.312 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000044944673 564476468 /nfs/dbraw/zinc/47/64/68/564476468.db2.gz TVHNBBIUGNUWNL-QWRGUYRKSA-N 0 1 379.400 3.493 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)O1 ZINC000045455713 564484030 /nfs/dbraw/zinc/48/40/30/564484030.db2.gz ZXSTUJSFTXYPQP-HUUCEWRRSA-N 0 1 398.345 3.090 20 0 GGADMN CC(C)(C)NC(=O)CNCc1ccc(Br)c(Br)c1 ZINC000124507959 564484953 /nfs/dbraw/zinc/48/49/53/564484953.db2.gz GFASYJMAQQADMN-UHFFFAOYSA-N 0 1 378.108 3.216 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c1 ZINC000124563184 564485965 /nfs/dbraw/zinc/48/59/65/564485965.db2.gz VUEXGTZSWVORPB-UHFFFAOYSA-N 0 1 381.251 3.053 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1Br ZINC000045633862 564487050 /nfs/dbraw/zinc/48/70/50/564487050.db2.gz YODKXWTWXLSKFK-KFWWJZLASA-N 0 1 398.345 3.309 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000045633868 564487151 /nfs/dbraw/zinc/48/71/51/564487151.db2.gz ZQHCALREZZYZGM-KKUMJFAQSA-N 0 1 398.345 3.309 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc([S@](C)=O)cc2)c1 ZINC000124668340 564489721 /nfs/dbraw/zinc/48/97/21/564489721.db2.gz LTDDTANPOCDNNK-HXUWFJFHSA-N 0 1 388.308 3.296 20 0 GGADMN O=C(c1cc(F)c(Cl)cc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046047383 564493287 /nfs/dbraw/zinc/49/32/87/564493287.db2.gz FRVCYBPKOJUURC-GFCCVEGCSA-N 0 1 375.271 3.459 20 0 GGADMN O=C(c1csc(-c2cccs2)n1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000046047206 564493762 /nfs/dbraw/zinc/49/37/62/564493762.db2.gz QWBFMJBTZZVUHV-CQSZACIVSA-N 0 1 377.535 3.199 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000046038047 564493768 /nfs/dbraw/zinc/49/37/68/564493768.db2.gz MXCTVYLJXQVOQN-NVXWUHKLSA-N 0 1 386.583 3.086 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)c1cccc(F)c1 ZINC000124846459 564495215 /nfs/dbraw/zinc/49/52/15/564495215.db2.gz TVMFRKHVJIGTRJ-SNVBAGLBSA-N 0 1 377.367 3.120 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1C(N)=O ZINC000046303042 564500486 /nfs/dbraw/zinc/50/04/86/564500486.db2.gz ZNODYKBQAXKPET-UHFFFAOYSA-N 0 1 375.837 3.096 20 0 GGADMN COc1ccccc1CN(C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000046343878 564502046 /nfs/dbraw/zinc/50/20/46/564502046.db2.gz QWIKXJJTPDEKMG-MRXNPFEDSA-N 0 1 380.282 3.329 20 0 GGADMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)s1 ZINC000125095825 564502708 /nfs/dbraw/zinc/50/27/08/564502708.db2.gz JIPYOOGKZSICND-UHFFFAOYSA-N 0 1 376.862 3.020 20 0 GGADMN C[C@@H](NCc1cc(Br)ccc1F)c1ccc(-n2cnnn2)cc1 ZINC000125099161 564502934 /nfs/dbraw/zinc/50/29/34/564502934.db2.gz AORDXSKOKAGTCW-LLVKDONJSA-N 0 1 376.233 3.415 20 0 GGADMN Cc1cc(CC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)n[nH]1 ZINC000125116585 564503922 /nfs/dbraw/zinc/50/39/22/564503922.db2.gz YLZWACSVOIDWKJ-UHFFFAOYSA-N 0 1 388.225 3.244 20 0 GGADMN O[C@@H](COC1CCOCC1)CN(Cc1csc(Br)c1)C1CC1 ZINC000125191479 564506790 /nfs/dbraw/zinc/50/67/90/564506790.db2.gz YJQMUEFVZDAYQY-CQSZACIVSA-N 0 1 390.343 3.032 20 0 GGADMN Cc1nnc(SCC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000125232009 564507284 /nfs/dbraw/zinc/50/72/84/564507284.db2.gz ZFWQFSRJSSCQCH-LLVKDONJSA-N 0 1 387.292 3.192 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000125232009 564507287 /nfs/dbraw/zinc/50/72/87/564507287.db2.gz ZFWQFSRJSSCQCH-LLVKDONJSA-N 0 1 387.292 3.192 20 0 GGADMN O=C(NC1CC1)[C@H](NCCOc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000125251016 564508567 /nfs/dbraw/zinc/50/85/67/564508567.db2.gz BYPHLQMGIGNKSF-MRXNPFEDSA-N 0 1 380.275 3.377 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000046933965 564510372 /nfs/dbraw/zinc/51/03/72/564510372.db2.gz TYSITBZVVJVCAS-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)nc1 ZINC000047213784 564515070 /nfs/dbraw/zinc/51/50/70/564515070.db2.gz NUKJEYBESYCYBS-WBVHZDCISA-N 0 1 377.897 3.040 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000047367483 564519296 /nfs/dbraw/zinc/51/92/96/564519296.db2.gz BLJQKCCRPCLNHS-UHFFFAOYSA-N 0 1 389.214 3.101 20 0 GGADMN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000047383519 564519807 /nfs/dbraw/zinc/51/98/07/564519807.db2.gz SKVOANSEZRQBOK-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN C[C@H]1CN(Cc2ccccc2CNc2ncncc2Br)C[C@H](C)O1 ZINC000481697922 564519906 /nfs/dbraw/zinc/51/99/06/564519906.db2.gz RHLHBDKXSRFHFH-KBPBESRZSA-N 0 1 391.313 3.460 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H](C)O1 ZINC000047434830 564520345 /nfs/dbraw/zinc/52/03/45/564520345.db2.gz HJSVXZJGANORPH-BETUJISGSA-N 0 1 394.313 3.160 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Cc2csc(-c3cccs3)n2)C[C@@H](C)O1 ZINC000047433707 564520416 /nfs/dbraw/zinc/52/04/16/564520416.db2.gz CDBOPNCQYIDJSX-ZIAGYGMSSA-N 0 1 379.551 3.030 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000047434822 564520673 /nfs/dbraw/zinc/52/06/73/564520673.db2.gz AEFFGPFVIXFQKY-STQMWFEESA-N 0 1 394.313 3.160 20 0 GGADMN CCCOc1ccc(Br)cc1CNCC(C)(C)S(C)(=O)=O ZINC000125624747 564521004 /nfs/dbraw/zinc/52/10/04/564521004.db2.gz QAFLYHHTHIDKLG-UHFFFAOYSA-N 0 1 378.332 3.151 20 0 GGADMN Cc1nnc(SCC(=O)NCC(C)(C)c2ccccc2Br)[nH]1 ZINC000125690642 564523720 /nfs/dbraw/zinc/52/37/20/564523720.db2.gz SSTLYHMPUDPXNW-UHFFFAOYSA-N 0 1 383.315 3.062 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCC(C)(C)c2ccccc2Br)n1 ZINC000125690642 564523725 /nfs/dbraw/zinc/52/37/25/564523725.db2.gz SSTLYHMPUDPXNW-UHFFFAOYSA-N 0 1 383.315 3.062 20 0 GGADMN Cc1nn(C)c2ncc(CN(C)[C@@H](CO)c3cccc(Br)c3)cc12 ZINC000125691562 564523823 /nfs/dbraw/zinc/52/38/23/564523823.db2.gz ZZGCSGQFCDHLKA-KRWDZBQOSA-N 0 1 389.297 3.205 20 0 GGADMN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc(Br)cs1 ZINC000047753093 564526099 /nfs/dbraw/zinc/52/60/99/564526099.db2.gz NPYOWBUZUQYJTM-UHFFFAOYSA-N 0 1 379.279 3.239 20 0 GGADMN CCCOc1c(Br)cc(C(=O)Nc2n[nH]c(CC)n2)cc1OC ZINC000125803960 564526851 /nfs/dbraw/zinc/52/68/51/564526851.db2.gz OBDJACNICFIBCJ-UHFFFAOYSA-N 0 1 383.246 3.179 20 0 GGADMN CCCOc1c(Br)cc(C(=O)Nc2nc(CC)n[nH]2)cc1OC ZINC000125803960 564526856 /nfs/dbraw/zinc/52/68/56/564526856.db2.gz OBDJACNICFIBCJ-UHFFFAOYSA-N 0 1 383.246 3.179 20 0 GGADMN CCc1nc(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)n[nH]1 ZINC000125793245 564526938 /nfs/dbraw/zinc/52/69/38/564526938.db2.gz RDRVDNUOLUCTQW-UHFFFAOYSA-N 0 1 398.311 3.496 20 0 GGADMN CCc1n[nH]c(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)n1 ZINC000125793245 564526940 /nfs/dbraw/zinc/52/69/40/564526940.db2.gz RDRVDNUOLUCTQW-UHFFFAOYSA-N 0 1 398.311 3.496 20 0 GGADMN C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000125903621 564529923 /nfs/dbraw/zinc/52/99/23/564529923.db2.gz JVYDCJHVDBFRPT-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000125908732 564531091 /nfs/dbraw/zinc/53/10/91/564531091.db2.gz JHCGDDLECNKDAV-UHFFFAOYSA-N 0 1 380.857 3.130 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(Br)cc2Cl)C1 ZINC000048243615 564534767 /nfs/dbraw/zinc/53/47/67/564534767.db2.gz KSNVUHWICPMJNF-ZDUSSCGKSA-N 0 1 389.721 3.189 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cncc(Br)c1)c1ccc(F)cc1 ZINC000126099390 564536816 /nfs/dbraw/zinc/53/68/16/564536816.db2.gz MFUMXUDZMJLXRW-HNNXBMFYSA-N 0 1 381.249 3.408 20 0 GGADMN CC1(C)NC(=O)N(CCCN2CCC[C@H]2c2cccc(Br)c2)C1=O ZINC000048374827 564538386 /nfs/dbraw/zinc/53/83/86/564538386.db2.gz KAHFYRVMHPDDLS-HNNXBMFYSA-N 0 1 394.313 3.307 20 0 GGADMN CCOc1cc(Br)c(NC(=O)Cc2cc(C)[nH]n2)cc1OCC ZINC000126157797 564538693 /nfs/dbraw/zinc/53/86/93/564538693.db2.gz IPZQDDUODIUXKL-UHFFFAOYSA-N 0 1 382.258 3.459 20 0 GGADMN O=C(Nc1cncc(Br)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000126213892 564541240 /nfs/dbraw/zinc/54/12/40/564541240.db2.gz NKTMHSNJZILOJS-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(F)cc2Br)C1 ZINC000048452473 564541305 /nfs/dbraw/zinc/54/13/05/564541305.db2.gz SBNDONWOAIXFEC-CYBMUJFWSA-N 0 1 388.281 3.067 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(I)cc2)CC1 ZINC000048469551 564541311 /nfs/dbraw/zinc/54/13/11/564541311.db2.gz KBUOOTNBVKEHTF-UHFFFAOYSA-N 0 1 387.265 3.097 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(F)cc2Br)C[C@H](C)O1 ZINC000048453012 564541365 /nfs/dbraw/zinc/54/13/65/564541365.db2.gz QIBKCVRMBHSFIL-RYUDHWBXSA-N 0 1 388.281 3.209 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000048502625 564541880 /nfs/dbraw/zinc/54/18/80/564541880.db2.gz ZCXJIRVPGISMRA-AWEZNQCLSA-N 0 1 380.901 3.186 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000048502522 564541895 /nfs/dbraw/zinc/54/18/95/564541895.db2.gz RJTFOXHVNRGMJF-OAHLLOKOSA-N 0 1 380.901 3.186 20 0 GGADMN Cc1cscc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126298947 564543791 /nfs/dbraw/zinc/54/37/91/564543791.db2.gz ZBKOBIZVBPCXET-AWEZNQCLSA-N 0 1 377.535 3.085 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000126293617 564544058 /nfs/dbraw/zinc/54/40/58/564544058.db2.gz ASEQNDBZWAOVNM-AWEZNQCLSA-N 0 1 384.318 3.028 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 ZINC000048742182 564544555 /nfs/dbraw/zinc/54/45/55/564544555.db2.gz ISBHGBKBYDYCMI-ZDUSSCGKSA-N 0 1 386.304 3.413 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000048742283 564545569 /nfs/dbraw/zinc/54/55/69/564545569.db2.gz MZLKJDJIFUDEOT-CYBMUJFWSA-N 0 1 386.304 3.413 20 0 GGADMN O=S(=O)(NCc1ccccc1Br)c1c(F)cc(F)cc1F ZINC000048867207 564546235 /nfs/dbraw/zinc/54/62/35/564546235.db2.gz OOKIWOVGQQAING-UHFFFAOYSA-N 0 1 380.185 3.345 20 0 GGADMN O=S(=O)(NCc1cc(Br)cs1)c1c(F)cc(F)cc1F ZINC000048840575 564546589 /nfs/dbraw/zinc/54/65/89/564546589.db2.gz NZXZBHWWQMTJIO-UHFFFAOYSA-N 0 1 386.214 3.406 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1csc(Br)c1 ZINC000049132994 564549702 /nfs/dbraw/zinc/54/97/02/564549702.db2.gz SMIZEKWAMPSBHK-UHFFFAOYSA-N 0 1 394.338 3.368 20 0 GGADMN O=S(=O)(NCc1ccc(Br)s1)c1c(F)cc(F)cc1F ZINC000049240392 564550486 /nfs/dbraw/zinc/55/04/86/564550486.db2.gz NXKRPEHKRURNLL-UHFFFAOYSA-N 0 1 386.214 3.406 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126594555 564554646 /nfs/dbraw/zinc/55/46/46/564554646.db2.gz XZVFRTSXNRAFDX-STQMWFEESA-N 0 1 384.237 3.371 20 0 GGADMN CC[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)C ZINC000126643156 564556212 /nfs/dbraw/zinc/55/62/12/564556212.db2.gz OYNBBKVPIJAHHT-ZDUSSCGKSA-N 0 1 379.810 3.096 20 0 GGADMN CC[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)C ZINC000126643395 564556491 /nfs/dbraw/zinc/55/64/91/564556491.db2.gz OYNBBKVPIJAHHT-CYBMUJFWSA-N 0 1 379.810 3.096 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000050998889 564560832 /nfs/dbraw/zinc/56/08/32/564560832.db2.gz DVWKJUQBURIPBQ-UONOGXRCSA-N 0 1 396.329 3.014 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000126790323 564562959 /nfs/dbraw/zinc/56/29/59/564562959.db2.gz RFMZJZPEDJRRCA-HZPDHXFCSA-N 0 1 379.287 3.359 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000051353247 564563694 /nfs/dbraw/zinc/56/36/94/564563694.db2.gz KHHUVVFXWCGLTD-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN COC(=O)c1ccc(C(=O)N=c2[nH]c(CN3CCCCCC3)cs2)s1 ZINC000051422021 564565180 /nfs/dbraw/zinc/56/51/80/564565180.db2.gz JLXZDDVVQPLRHW-UHFFFAOYSA-N 0 1 379.507 3.041 20 0 GGADMN Cc1cc([C@@H]2CCCN2C[C@H](O)COc2ccc(Br)cc2)on1 ZINC000052007700 564568423 /nfs/dbraw/zinc/56/84/23/564568423.db2.gz QDOWLFFWOPBCNW-HOCLYGCPSA-N 0 1 381.270 3.322 20 0 GGADMN C[C@H](C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)s1 ZINC000126937433 564568744 /nfs/dbraw/zinc/56/87/44/564568744.db2.gz OBADKZZWQCKJOO-IMJJTQAJSA-N 0 1 378.925 3.257 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccnc1Br ZINC000127113739 564573411 /nfs/dbraw/zinc/57/34/11/564573411.db2.gz NEKWSDLRJVNNJN-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN Cc1ccoc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000052610812 564574287 /nfs/dbraw/zinc/57/42/87/564574287.db2.gz AREPPYPRCVOXDL-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN CCC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)C1 ZINC000127146451 564575190 /nfs/dbraw/zinc/57/51/90/564575190.db2.gz YLZYOAWGNRXVSA-QMMMGPOBSA-N 0 1 375.650 3.005 20 0 GGADMN O=C(COc1ccc(Cl)nc1)Nc1cccc(CN2CCSCC2)c1 ZINC000127178727 564575894 /nfs/dbraw/zinc/57/58/94/564575894.db2.gz XEYUFDKUAWPNGQ-UHFFFAOYSA-N 0 1 377.897 3.301 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)n[nH]1 ZINC000483879419 564576499 /nfs/dbraw/zinc/57/64/99/564576499.db2.gz ZYDOFYLRNXRRTN-ZCFIWIBFSA-N 0 1 381.824 3.307 20 0 GGADMN CCC[C@H](CNC(=O)CN[C@@](C)(CC)C(N)=O)c1ccc(Cl)cc1Cl ZINC000127196079 564577037 /nfs/dbraw/zinc/57/70/37/564577037.db2.gz QWDDOZKNTFAANW-XIKOKIGWSA-N 0 1 388.339 3.237 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000052941239 564580115 /nfs/dbraw/zinc/58/01/15/564580115.db2.gz WUMOPWUZHQCMGZ-NEPJUHHUSA-N 0 1 386.323 3.147 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC(CC(N)=O)CC1 ZINC000052941236 564580314 /nfs/dbraw/zinc/58/03/14/564580314.db2.gz WUMOPWUZHQCMGZ-NWDGAFQWSA-N 0 1 386.323 3.147 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000052941237 564580525 /nfs/dbraw/zinc/58/05/25/564580525.db2.gz WUMOPWUZHQCMGZ-VXGBXAGGSA-N 0 1 386.323 3.147 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cc(C(N)=O)cs1)c1ccccc1Cl ZINC000053272532 564583979 /nfs/dbraw/zinc/58/39/79/564583979.db2.gz UJUBSDLVORVBJL-HNNXBMFYSA-N 0 1 379.913 3.313 20 0 GGADMN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(Br)cc1F ZINC000127442552 564584703 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ZINC000132707153 564750724 /nfs/dbraw/zinc/75/07/24/564750724.db2.gz DRBORGFBYNURMH-OAHLLOKOSA-N 0 1 375.460 3.332 20 0 GGADMN CCN(C[C@@H]1CCCO1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000065898275 564752155 /nfs/dbraw/zinc/75/21/55/564752155.db2.gz NIXFHCGSLHNQJI-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1F ZINC000065972203 564752606 /nfs/dbraw/zinc/75/26/06/564752606.db2.gz YTJBWWCPXZQZGZ-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCc1ccccc1 ZINC000065972163 564753035 /nfs/dbraw/zinc/75/30/35/564753035.db2.gz AYLVKUXJTOHAKB-UHFFFAOYSA-N 0 1 380.941 3.276 20 0 GGADMN Cc1cc(Br)cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000132858929 564754718 /nfs/dbraw/zinc/75/47/18/564754718.db2.gz PGAOWMLCNZLKNP-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2O)cc1 ZINC000066044914 564754790 /nfs/dbraw/zinc/75/47/90/564754790.db2.gz XMCCRHDIQXDMMF-UHFFFAOYSA-N 0 1 391.265 3.474 20 0 GGADMN CC(C)(NCc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1cccc(Cl)c1 ZINC000132916522 564756977 /nfs/dbraw/zinc/75/69/77/564756977.db2.gz LALDUQFQNVHOIX-GOSISDBHSA-N 0 1 381.929 3.095 20 0 GGADMN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Br)c(O)c1 ZINC000132958385 564758877 /nfs/dbraw/zinc/75/88/77/564758877.db2.gz GZVFOYPYNDSTLK-UHFFFAOYSA-N 0 1 375.222 3.299 20 0 GGADMN CCCN(CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066376311 564763700 /nfs/dbraw/zinc/76/37/00/564763700.db2.gz MIEMXOPSOZKBOB-OAHLLOKOSA-N 0 1 379.444 3.373 20 0 GGADMN CCCN(CCCOc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066376313 564763818 /nfs/dbraw/zinc/76/38/18/564763818.db2.gz MIEMXOPSOZKBOB-HNNXBMFYSA-N 0 1 379.444 3.373 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000066483531 564766390 /nfs/dbraw/zinc/76/63/90/564766390.db2.gz ROUXRQHRASQSDW-VVWQDTPRSA-N 0 1 397.357 3.056 20 0 GGADMN CC(C)(CNCc1ccc(Br)cc1C(F)(F)F)S(C)(=O)=O ZINC000133209134 564766970 /nfs/dbraw/zinc/76/69/70/564766970.db2.gz AARPMWCNEQKXNP-UHFFFAOYSA-N 0 1 388.249 3.381 20 0 GGADMN CCN(CC)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000133246342 564767395 /nfs/dbraw/zinc/76/73/95/564767395.db2.gz WUIRRWWMULZNKN-CQSZACIVSA-N 0 1 380.535 3.041 20 0 GGADMN CC(C)(C)n1cc(CN[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2Cl)n1 ZINC000066586823 564770028 /nfs/dbraw/zinc/77/00/28/564770028.db2.gz RFCISNBAQFKCKY-CQSZACIVSA-N 0 1 381.929 3.235 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)[NH+](C)C)cc1 ZINC000133310498 564770246 /nfs/dbraw/zinc/77/02/46/564770246.db2.gz LIYHACAXDXPHKB-MRXNPFEDSA-N 0 1 377.282 3.496 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000066879827 564777801 /nfs/dbraw/zinc/77/78/01/564777801.db2.gz OIRBTZIVGNLNFZ-UHFFFAOYSA-N 0 1 381.929 3.134 20 0 GGADMN C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Br)c([O-])c1 ZINC000133595665 564779574 /nfs/dbraw/zinc/77/95/74/564779574.db2.gz XDSRVKWEQCVCFV-UHFFFAOYSA-N 0 1 383.311 3.420 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1cc(Br)c[nH]c1=O)c1ccccc1 ZINC000067269881 564787911 /nfs/dbraw/zinc/78/79/11/564787911.db2.gz SMKPRNWEICRANQ-OAHLLOKOSA-N 0 1 378.270 3.159 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNc3ncc(Br)cn3)cc2)C[C@H](C)O1 ZINC000067350183 564789644 /nfs/dbraw/zinc/78/96/44/564789644.db2.gz MUPCSOMDIGERPP-KBPBESRZSA-N 0 1 391.313 3.460 20 0 GGADMN CCCCN(CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000067399956 564791342 /nfs/dbraw/zinc/79/13/42/564791342.db2.gz ZAGDTJQKOLIUHW-CQSZACIVSA-N 0 1 390.908 3.097 20 0 GGADMN O=S1(=O)CC[C@@H](CNCc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000067439529 564793393 /nfs/dbraw/zinc/79/33/93/564793393.db2.gz ARNWXGGFOBZXOJ-NSHDSACASA-N 0 1 388.967 3.472 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2c[nH]c3ccc(Br)cc23)C1 ZINC000067508609 564794507 /nfs/dbraw/zinc/79/45/07/564794507.db2.gz FEVHIQGAXHVYQV-CQSZACIVSA-N 0 1 394.313 3.017 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1nnc[nH]1 ZINC000067685939 564797076 /nfs/dbraw/zinc/79/70/76/564797076.db2.gz UIXOBQORDPUAMK-UHFFFAOYSA-N 0 1 375.841 3.010 20 0 GGADMN Cc1nnc(SCC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)[nH]1 ZINC000134226768 564797538 /nfs/dbraw/zinc/79/75/38/564797538.db2.gz KBOFPIHHYVSRND-UHFFFAOYSA-N 0 1 377.857 3.138 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 ZINC000134226768 564797541 /nfs/dbraw/zinc/79/75/41/564797541.db2.gz KBOFPIHHYVSRND-UHFFFAOYSA-N 0 1 377.857 3.138 20 0 GGADMN C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000134271349 564798465 /nfs/dbraw/zinc/79/84/65/564798465.db2.gz HPOVVAPVRHOHGG-UHFFFAOYSA-N 0 1 377.282 3.359 20 0 GGADMN CC(C)[C@H]1CNCCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000528692310 564800216 /nfs/dbraw/zinc/80/02/16/564800216.db2.gz VZIIKDRBIRUTLV-CYBMUJFWSA-N 0 1 383.880 3.459 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000067899517 564801294 /nfs/dbraw/zinc/80/12/94/564801294.db2.gz NWPGZOTZZDLTQL-UHFFFAOYSA-N 0 1 383.466 3.319 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)cc1 ZINC000067890579 564801893 /nfs/dbraw/zinc/80/18/93/564801893.db2.gz MYKFQBXACMBFEC-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN CSCCc1ccc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1 ZINC000067933104 564802022 /nfs/dbraw/zinc/80/20/22/564802022.db2.gz OIHBNGPEGQWTCL-UHFFFAOYSA-N 0 1 382.482 3.355 20 0 GGADMN CS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000067928919 564802300 /nfs/dbraw/zinc/80/23/00/564802300.db2.gz GFWBQJPIPZBOPU-UHFFFAOYSA-N 0 1 377.853 3.257 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)S(C)(=O)=O ZINC000067928922 564802503 /nfs/dbraw/zinc/80/25/03/564802503.db2.gz NYBYZFVGQVXJAG-JTQLQIEISA-N 0 1 377.853 3.255 20 0 GGADMN O=S(=O)(Nc1cc(Cl)ccc1-n1cccn1)c1ccc2c(c1)COC2 ZINC000068075944 564807752 /nfs/dbraw/zinc/80/77/52/564807752.db2.gz JQQYGDLJVGWZPZ-UHFFFAOYSA-N 0 1 375.837 3.357 20 0 GGADMN O[C@@H](COCc1cccs1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000068046500 564808005 /nfs/dbraw/zinc/80/80/05/564808005.db2.gz LYSREFKVGGZWOP-GOSISDBHSA-N 0 1 380.941 3.097 20 0 GGADMN CCN(CC)CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000134648333 564811042 /nfs/dbraw/zinc/81/10/42/564811042.db2.gz RHHVLUFVPHDLDU-UHFFFAOYSA-N 0 1 379.258 3.312 20 0 GGADMN CCC(CC)c1nnc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)s1 ZINC000068208555 564811688 /nfs/dbraw/zinc/81/16/88/564811688.db2.gz LKBBVSVYXVBYPL-UHFFFAOYSA-N 0 1 386.474 3.205 20 0 GGADMN CC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1C ZINC000134774601 564815463 /nfs/dbraw/zinc/81/54/63/564815463.db2.gz VKBDEUAYQDBXMA-UHFFFAOYSA-N 0 1 380.809 3.086 20 0 GGADMN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134855894 564817053 /nfs/dbraw/zinc/81/70/53/564817053.db2.gz VMLQQNDSNWQGRI-LBPRGKRZSA-N 0 1 381.929 3.273 20 0 GGADMN Oc1ccc(N2CCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC000068516945 564821061 /nfs/dbraw/zinc/82/10/61/564821061.db2.gz HSSWFABNVGABPO-UHFFFAOYSA-N 0 1 377.282 3.356 20 0 GGADMN C[C@@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC(C)(C)O1 ZINC000068541154 564821657 /nfs/dbraw/zinc/82/16/57/564821657.db2.gz DSCBORNFVXQEAK-LLVKDONJSA-N 0 1 378.270 3.479 20 0 GGADMN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1cnn[nH]1 ZINC000135093468 564823884 /nfs/dbraw/zinc/82/38/84/564823884.db2.gz FAVQLIZKPMLJIP-QMMMGPOBSA-N 0 1 392.282 3.490 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(O)c(Cl)c1 ZINC000135238285 564826127 /nfs/dbraw/zinc/82/61/27/564826127.db2.gz UEYPECPQUUSKSH-CQSZACIVSA-N 0 1 383.206 3.373 20 0 GGADMN COc1cc(CNCc2ccoc2C)cc(I)c1OC ZINC000068840026 564827724 /nfs/dbraw/zinc/82/77/24/564827724.db2.gz KMGSSEGGAKSNLH-UHFFFAOYSA-N 0 1 387.217 3.500 20 0 GGADMN O=S(=O)(Cc1cccc(F)c1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000068906314 564828745 /nfs/dbraw/zinc/82/87/45/564828745.db2.gz JWQOIUGZJQXCTK-INIZCTEOSA-N 0 1 382.526 3.219 20 0 GGADMN CCC(=O)c1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000135389907 564829928 /nfs/dbraw/zinc/82/99/28/564829928.db2.gz DAASFKMQCMPPIQ-UHFFFAOYSA-N 0 1 380.809 3.168 20 0 GGADMN CSC[C@H]1CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000135460478 564832016 /nfs/dbraw/zinc/83/20/16/564832016.db2.gz SAOVGVVIAUYWSJ-GFCCVEGCSA-N 0 1 377.373 3.296 20 0 GGADMN CCN(CCNC(=O)Nc1nnc(-c2ccco2)s1)CCC(F)(F)F ZINC000494508581 564832726 /nfs/dbraw/zinc/83/27/26/564832726.db2.gz IXFIRANKYBTSKT-UHFFFAOYSA-N 0 1 377.392 3.194 20 0 GGADMN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1CN1CCCCC1 ZINC000069124998 564833331 /nfs/dbraw/zinc/83/33/31/564833331.db2.gz OTIBDIADUGGKEH-CQSZACIVSA-N 0 1 376.444 3.344 20 0 GGADMN OC[C@@]1(NCc2cc3c(c(Br)c2)OCO3)CCc2ccccc21 ZINC000135881726 564842184 /nfs/dbraw/zinc/84/21/84/564842184.db2.gz BAQIHDPWDZVQJL-SFHVURJKSA-N 0 1 376.250 3.101 20 0 GGADMN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069710444 564843650 /nfs/dbraw/zinc/84/36/50/564843650.db2.gz IJXYKJCKEPVNJZ-JKSUJKDBSA-N 0 1 382.957 3.391 20 0 GGADMN O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069744424 564843661 /nfs/dbraw/zinc/84/36/61/564843661.db2.gz CGKPZUZGJZSTEU-QGZVFWFLSA-N 0 1 382.957 3.144 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000069725015 564843946 /nfs/dbraw/zinc/84/39/46/564843946.db2.gz LQOWHVOXJNDCPS-INIZCTEOSA-N 0 1 377.286 3.400 20 0 GGADMN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069711533 564844049 /nfs/dbraw/zinc/84/40/49/564844049.db2.gz GCKPRCIACXIQPJ-JKSUJKDBSA-N 0 1 382.957 3.391 20 0 GGADMN Clc1cc(Cl)c2nc(CN3CCC[C@H](CN4CCOCC4)C3)cn2c1 ZINC000069856553 564846339 /nfs/dbraw/zinc/84/63/39/564846339.db2.gz AIRZANDBKZWZTA-CQSZACIVSA-N 0 1 383.323 3.185 20 0 GGADMN Clc1cc(Cl)c2nc(CN3CCC[C@@H](CN4CCOCC4)C3)cn2c1 ZINC000069856557 564846681 /nfs/dbraw/zinc/84/66/81/564846681.db2.gz AIRZANDBKZWZTA-AWEZNQCLSA-N 0 1 383.323 3.185 20 0 GGADMN O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000070057704 564849594 /nfs/dbraw/zinc/84/95/94/564849594.db2.gz SHUKVBXREJKQRR-AWEZNQCLSA-N 0 1 386.323 3.247 20 0 GGADMN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCc1nnc[nH]1 ZINC000070823307 564852007 /nfs/dbraw/zinc/85/20/07/564852007.db2.gz CBXIXZDAOKIFQK-JTQLQIEISA-N 0 1 377.857 3.051 20 0 GGADMN O=C(NCc1nnc[nH]1)c1ccccc1OCc1ccccc1Br ZINC000070824339 564852325 /nfs/dbraw/zinc/85/23/25/564852325.db2.gz DYXMPGZCIVXGAR-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1COc2ccc(Br)cc21 ZINC000136914708 564856405 /nfs/dbraw/zinc/85/64/05/564856405.db2.gz QDIPYUYXMLCSBF-GFCCVEGCSA-N 0 1 390.212 3.257 20 0 GGADMN C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1nc(=O)c2sccc2[n-]1 ZINC000137005600 564857686 /nfs/dbraw/zinc/85/76/86/564857686.db2.gz RUTDBTJCYCBLSR-UHFFFAOYSA-N 0 1 377.853 3.041 20 0 GGADMN C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1nc(=O)c2sccc2[n-]1 ZINC000137005600 564857689 /nfs/dbraw/zinc/85/76/89/564857689.db2.gz RUTDBTJCYCBLSR-UHFFFAOYSA-N 0 1 377.853 3.041 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000071925692 564859097 /nfs/dbraw/zinc/85/90/97/564859097.db2.gz OQTYDRLAWCXTMZ-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 ZINC000072085147 564861086 /nfs/dbraw/zinc/86/10/86/564861086.db2.gz ZTQZEBMYQOCHDU-UHFFFAOYSA-N 0 1 375.303 3.490 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CCc3cc(Br)ccc32)n[nH]1 ZINC000137394786 564862060 /nfs/dbraw/zinc/86/20/60/564862060.db2.gz FQIXRSOTFPEKSI-HWPZZCPQSA-N 0 1 377.286 3.398 20 0 GGADMN CC1CCN(CC(=O)NC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000137477229 564863229 /nfs/dbraw/zinc/86/32/29/564863229.db2.gz DEGAUZVXQZGPPX-UHFFFAOYSA-N 0 1 395.341 3.303 20 0 GGADMN CCCCN(C)S(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000078611330 564864173 /nfs/dbraw/zinc/86/41/73/564864173.db2.gz JMJBIROGINRDMH-UHFFFAOYSA-N 0 1 387.977 3.118 20 0 GGADMN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000139302349 564868605 /nfs/dbraw/zinc/86/86/05/564868605.db2.gz IMTCMJLHQJRROM-CQSZACIVSA-N 0 1 380.330 3.117 20 0 GGADMN CCn1c(NC(=O)CCCCc2cn[nH]n2)nc2cc(Br)ccc21 ZINC000139693984 564870096 /nfs/dbraw/zinc/87/00/96/564870096.db2.gz VUHJEPFKYNNDNR-UHFFFAOYSA-N 0 1 391.273 3.288 20 0 GGADMN COCCCNC(=O)C1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000140382409 564870920 /nfs/dbraw/zinc/87/09/20/564870920.db2.gz PXYXENVWPUGSQM-AWEZNQCLSA-N 0 1 383.330 3.375 20 0 GGADMN O=C1NCCN1C1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000091733233 564871454 /nfs/dbraw/zinc/87/14/54/564871454.db2.gz OAKAFNXKAIRGPT-KRWDZBQOSA-N 0 1 378.314 3.316 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000092362084 564877120 /nfs/dbraw/zinc/87/71/20/564877120.db2.gz RBLCKCVQDCKOJQ-UHFFFAOYSA-N 0 1 376.469 3.100 20 0 GGADMN CCOc1cc(CN2CC[C@H](C)C2)cc(Br)c1OCC(=O)N(C)C ZINC000092471583 564878010 /nfs/dbraw/zinc/87/80/10/564878010.db2.gz PFULOHPSXGBWFB-ZDUSSCGKSA-N 0 1 399.329 3.157 20 0 GGADMN CCOc1cc(CN2CC[C@@H](C)C2)cc(Br)c1OCC(=O)N(C)C ZINC000092471584 564878515 /nfs/dbraw/zinc/87/85/15/564878515.db2.gz PFULOHPSXGBWFB-CYBMUJFWSA-N 0 1 399.329 3.157 20 0 GGADMN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)Cc1[nH]nc2ccccc21 ZINC000092643177 564879615 /nfs/dbraw/zinc/87/96/15/564879615.db2.gz WOGMOSVQMHQJNS-UHFFFAOYSA-N 0 1 398.264 3.298 20 0 GGADMN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000146475741 564882028 /nfs/dbraw/zinc/88/20/28/564882028.db2.gz QWCRUNVVDXEFID-HNNXBMFYSA-N 0 1 382.526 3.386 20 0 GGADMN CCCCNC(=O)C1CCN(CCOc2ccccc2Br)CC1 ZINC000093291321 564884745 /nfs/dbraw/zinc/88/47/45/564884745.db2.gz CXHMKMGSCDPQBR-UHFFFAOYSA-N 0 1 383.330 3.456 20 0 GGADMN Cc1cc(Br)ccc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000093455049 564886171 /nfs/dbraw/zinc/88/61/71/564886171.db2.gz DNPRVVOAEVBTIH-KRWDZBQOSA-N 0 1 378.314 3.437 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000093754161 564888585 /nfs/dbraw/zinc/88/85/85/564888585.db2.gz BRXMAINYJKXRRT-CQSZACIVSA-N 0 1 394.313 3.324 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093788827 564888947 /nfs/dbraw/zinc/88/89/47/564888947.db2.gz DGOALIRONAKOOQ-OAHLLOKOSA-N 0 1 383.330 3.456 20 0 GGADMN C[C@H](CN1CCC(N2CCCNC2=O)CC1)c1cccc(Br)c1 ZINC000093669539 564889483 /nfs/dbraw/zinc/88/94/83/564889483.db2.gz WAFCFKFUWLONQX-CQSZACIVSA-N 0 1 380.330 3.432 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093667608 564889554 /nfs/dbraw/zinc/88/95/54/564889554.db2.gz QLUILTSSUOMAPY-UHFFFAOYSA-N 0 1 394.313 3.380 20 0 GGADMN C[N@@H+](Cc1c[nH]nc1-c1cccnc1)[C@H](CO)c1cccc(Br)c1 ZINC000093815622 564890996 /nfs/dbraw/zinc/89/09/96/564890996.db2.gz GZZPOLRYUDUAMK-QGZVFWFLSA-N 0 1 387.281 3.400 20 0 GGADMN CN(Cc1c[nH]nc1-c1cccnc1)[C@H](CO)c1cccc(Br)c1 ZINC000093815622 564890999 /nfs/dbraw/zinc/89/09/99/564890999.db2.gz GZZPOLRYUDUAMK-QGZVFWFLSA-N 0 1 387.281 3.400 20 0 GGADMN CC[C@@H](NCc1ccc(S(N)(=O)=O)s1)c1ccc(Br)cc1 ZINC000150845634 564893214 /nfs/dbraw/zinc/89/32/14/564893214.db2.gz HFBCIITYTQJDBP-CYBMUJFWSA-N 0 1 389.340 3.399 20 0 GGADMN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3O)cc21 ZINC000150855130 564894123 /nfs/dbraw/zinc/89/41/23/564894123.db2.gz DVBXZCBZDURYRS-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000150854866 564894221 /nfs/dbraw/zinc/89/42/21/564894221.db2.gz ZLAKGODCYSMCAL-UHFFFAOYSA-N 0 1 382.869 3.328 20 0 GGADMN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(Br)cc1O ZINC000093944597 564894579 /nfs/dbraw/zinc/89/45/79/564894579.db2.gz UNLUOBMWSLJZMR-UHFFFAOYSA-N 0 1 397.612 3.391 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000150871052 564895066 /nfs/dbraw/zinc/89/50/66/564895066.db2.gz RIVSTHRVESYVLB-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(Br)cc2[O-])o1 ZINC000094068082 564895366 /nfs/dbraw/zinc/89/53/66/564895366.db2.gz AARLRPOWWBGHCR-UHFFFAOYSA-N 0 1 381.270 3.260 20 0 GGADMN CNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2O)cc1Cl ZINC000094032949 564895749 /nfs/dbraw/zinc/89/57/49/564895749.db2.gz FDECZSUSALHUSG-UHFFFAOYSA-N 0 1 383.629 3.420 20 0 GGADMN C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(Cl)c2ccccc2c1O)C1CC1 ZINC000094138888 564897188 /nfs/dbraw/zinc/89/71/88/564897188.db2.gz ZLRUJISXFWAKHS-NSHDSACASA-N 0 1 381.881 3.237 20 0 GGADMN O=C(Cc1ccc(Br)cc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000096513037 564902339 /nfs/dbraw/zinc/90/23/39/564902339.db2.gz SHRTZINAKBMRAI-UHFFFAOYSA-N 0 1 376.229 3.366 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1c(Cl)cccc1C(F)(F)F ZINC000151040112 564902612 /nfs/dbraw/zinc/90/26/12/564902612.db2.gz WTCZBMKRVXCYRI-UHFFFAOYSA-N 0 1 382.835 3.264 20 0 GGADMN CS(=O)(=O)c1ccc(CNc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000096843453 564902983 /nfs/dbraw/zinc/90/29/83/564902983.db2.gz MZBSXQJEPNZWQU-UHFFFAOYSA-N 0 1 380.267 3.341 20 0 GGADMN O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCNCC1 ZINC000096888842 564903216 /nfs/dbraw/zinc/90/32/16/564903216.db2.gz RQJXOMPTZJMYGP-UHFFFAOYSA-N 0 1 388.059 3.003 20 0 GGADMN O=C(CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)NC1CCOCC1 ZINC000151090094 564904346 /nfs/dbraw/zinc/90/43/46/564904346.db2.gz DULAZQYJLKXBLH-UHFFFAOYSA-N 0 1 387.292 3.166 20 0 GGADMN O=C1[C@@H](Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)CCN1CC(F)(F)F ZINC000151094575 564905230 /nfs/dbraw/zinc/90/52/30/564905230.db2.gz ZWZTVQZEDVHLLT-JTQLQIEISA-N 0 1 378.326 3.005 20 0 GGADMN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000151141986 564907030 /nfs/dbraw/zinc/90/70/30/564907030.db2.gz YNMDNEMAUHUETL-LLVKDONJSA-N 0 1 382.835 3.218 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccc(Br)o2)n[nH]1 ZINC000097358881 564907511 /nfs/dbraw/zinc/90/75/11/564907511.db2.gz VKKYUMYULZXSBX-UHFFFAOYSA-N 0 1 392.257 3.055 20 0 GGADMN COc1ncccc1CN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000151137168 564907520 /nfs/dbraw/zinc/90/75/20/564907520.db2.gz LFFQVPKMNXOYEJ-GFCCVEGCSA-N 0 1 378.270 3.360 20 0 GGADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171707 564908373 /nfs/dbraw/zinc/90/83/73/564908373.db2.gz WWFMNARWXIGEIC-LLVKDONJSA-N 0 1 382.835 3.121 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+](CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171707 564908376 /nfs/dbraw/zinc/90/83/76/564908376.db2.gz WWFMNARWXIGEIC-LLVKDONJSA-N 0 1 382.835 3.121 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+](CC2CC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000151171707 564908379 /nfs/dbraw/zinc/90/83/79/564908379.db2.gz WWFMNARWXIGEIC-LLVKDONJSA-N 0 1 382.835 3.121 20 0 GGADMN CC[C@H](COC)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000097592877 564909470 /nfs/dbraw/zinc/90/94/70/564909470.db2.gz KGDUIWRJKFAEIT-CYBMUJFWSA-N 0 1 382.507 3.012 20 0 GGADMN C[C@H](CO[C@H]1CCOC1)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000151216899 564911044 /nfs/dbraw/zinc/91/10/44/564911044.db2.gz CKCSQGAGOIVFLR-DOMZBBRYSA-N 0 1 380.286 3.123 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498897053 564912193 /nfs/dbraw/zinc/91/21/93/564912193.db2.gz KMFNWIRDNCNAHO-STQMWFEESA-N 0 1 377.286 3.446 20 0 GGADMN CN(CCC(F)(F)F)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000101545454 564917362 /nfs/dbraw/zinc/91/73/62/564917362.db2.gz XWVBALMLBOMGQL-UHFFFAOYSA-N 0 1 375.460 3.058 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000101915004 564924418 /nfs/dbraw/zinc/92/44/18/564924418.db2.gz SSLXVKTYTCDKNP-YOEHRIQHSA-N 0 1 383.330 3.111 20 0 GGADMN COc1ccc([C@H](N[C@H]2CCSC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000151637174 564930953 /nfs/dbraw/zinc/93/09/53/564930953.db2.gz ZBKYMGDTPBEEQW-LPHOPBHVSA-N 0 1 377.531 3.283 20 0 GGADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1F ZINC000102632622 564931863 /nfs/dbraw/zinc/93/18/63/564931863.db2.gz HKPQAASEQVVYTL-UHFFFAOYSA-N 0 1 396.749 3.398 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)c(F)c3)c(Cl)cc2N1 ZINC000102747560 564934231 /nfs/dbraw/zinc/93/42/31/564934231.db2.gz XNTRBBGIFDESRG-UHFFFAOYSA-N 0 1 375.208 3.428 20 0 GGADMN CSCc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000102747928 564934400 /nfs/dbraw/zinc/93/44/00/564934400.db2.gz CGWPXIYXFBOJOW-UHFFFAOYSA-N 0 1 382.894 3.498 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)nc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000102775704 564934805 /nfs/dbraw/zinc/93/48/05/564934805.db2.gz SZGGPMICYXHKLZ-CQSZACIVSA-N 0 1 385.942 3.053 20 0 GGADMN CC(C)(C)n1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000102752811 564935403 /nfs/dbraw/zinc/93/54/03/564935403.db2.gz OAAQTTRRMSBYRA-UHFFFAOYSA-N 0 1 389.257 3.438 20 0 GGADMN C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccc(Cl)s1 ZINC000102783887 564935836 /nfs/dbraw/zinc/93/58/36/564935836.db2.gz MZPCNMXCXPZSJC-SNVBAGLBSA-N 0 1 376.869 3.275 20 0 GGADMN CS(=O)(=O)c1cccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000151846614 564939194 /nfs/dbraw/zinc/93/91/94/564939194.db2.gz DIKLOXSSWUDNIR-UHFFFAOYSA-N 0 1 375.837 3.386 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CN1C1CC1 ZINC000151853261 564939265 /nfs/dbraw/zinc/93/92/65/564939265.db2.gz IXCNWHMAWOPNLI-IUCAKERBSA-N 0 1 390.698 3.327 20 0 GGADMN NC(=O)[C@H](NCC1(c2cccc(F)c2)CC1)c1ccc(Br)cc1 ZINC000151845824 564939404 /nfs/dbraw/zinc/93/94/04/564939404.db2.gz CIOWDZQDFRGYIG-MRXNPFEDSA-N 0 1 377.257 3.436 20 0 GGADMN O=c1[nH]c2cc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)ccc2o1 ZINC000103058307 564942050 /nfs/dbraw/zinc/94/20/50/564942050.db2.gz FYGIBMHCMDUDEO-UHFFFAOYSA-N 0 1 376.287 3.080 20 0 GGADMN Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)[nH]1 ZINC000103257493 564945454 /nfs/dbraw/zinc/94/54/54/564945454.db2.gz HMNUTZDFYZELPI-UHFFFAOYSA-N 0 1 376.214 3.102 20 0 GGADMN COCCN(CC(F)F)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000103251339 564945808 /nfs/dbraw/zinc/94/58/08/564945808.db2.gz SFPLAXZPECXXIF-UHFFFAOYSA-N 0 1 388.212 3.193 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000152083869 564946605 /nfs/dbraw/zinc/94/66/05/564946605.db2.gz JWJISFUFLHOCDB-PXAZEXFGSA-N 0 1 380.897 3.158 20 0 GGADMN O[C@H](CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)c1cccc(Br)c1 ZINC000152104175 564946871 /nfs/dbraw/zinc/94/68/71/564946871.db2.gz GWSAQKOWNZXYIJ-GOEBONIOSA-N 0 1 391.313 3.358 20 0 GGADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1sccc1Br ZINC000152196783 564950360 /nfs/dbraw/zinc/95/03/60/564950360.db2.gz PVOYXUZHHGBYTR-UHFFFAOYSA-N 0 1 395.388 3.396 20 0 GGADMN Cc1nn(C)c2ncc(NS(=O)(=O)c3cccc(C)c3Br)cc12 ZINC000152263121 564952369 /nfs/dbraw/zinc/95/23/69/564952369.db2.gz HKXRMDQZQHHZAV-UHFFFAOYSA-N 0 1 395.282 3.148 20 0 GGADMN C[C@H](N[C@H]1CCC(=O)NC1)c1ccc(Br)cc1Br ZINC000104329521 564953994 /nfs/dbraw/zinc/95/39/94/564953994.db2.gz ZHGVGWIMBXPSGG-WPRPVWTQSA-N 0 1 376.092 3.141 20 0 GGADMN C[C@@H](N[C@@H]1CCC(=O)NC1)c1ccc(Br)cc1Br ZINC000104329519 564954035 /nfs/dbraw/zinc/95/40/35/564954035.db2.gz ZHGVGWIMBXPSGG-PSASIEDQSA-N 0 1 376.092 3.141 20 0 GGADMN C[S@](=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000152462425 564959815 /nfs/dbraw/zinc/95/98/15/564959815.db2.gz BTBPCEIEVQIKAK-HXUWFJFHSA-N 0 1 392.271 3.126 20 0 GGADMN COc1ncc(C)cc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000152470437 564960525 /nfs/dbraw/zinc/96/05/25/564960525.db2.gz XVEMFZSFYZVCFT-UHFFFAOYSA-N 0 1 375.219 3.101 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)c1Br ZINC000152466831 564960898 /nfs/dbraw/zinc/96/08/98/564960898.db2.gz LKDRZVTXGBDMOF-FQEVSTJZSA-N 0 1 388.308 3.296 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000104969063 564961594 /nfs/dbraw/zinc/96/15/94/564961594.db2.gz KLFKORYHDYZUGU-UHFFFAOYSA-N 0 1 391.269 3.207 20 0 GGADMN CN(CC(=O)NCC(F)(F)F)CC1(c2ccc(Br)cc2)CC1 ZINC000152612765 564965249 /nfs/dbraw/zinc/96/52/49/564965249.db2.gz ADGACOBVGJQWPA-UHFFFAOYSA-N 0 1 379.220 3.091 20 0 GGADMN CN(CC(=O)NCc1ccco1)CC1(c2ccc(Br)cc2)CC1 ZINC000152616199 564965982 /nfs/dbraw/zinc/96/59/82/564965982.db2.gz CYILYHGFGFAEOH-UHFFFAOYSA-N 0 1 377.282 3.322 20 0 GGADMN COc1ccc(C)cc1CCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000105400581 564966257 /nfs/dbraw/zinc/96/62/57/564966257.db2.gz HGXPBIQHMBGZOW-KRWDZBQOSA-N 0 1 377.282 3.125 20 0 GGADMN NC(=O)[C@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000105401301 564966746 /nfs/dbraw/zinc/96/67/46/564966746.db2.gz PAWRZOHWTKAORL-MRXNPFEDSA-N 0 1 377.257 3.436 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)N1CCc2ccccc21 ZINC000105401030 564967126 /nfs/dbraw/zinc/96/71/26/564967126.db2.gz ONCSNIUEPWLTSS-ACJLOTCBSA-N 0 1 388.309 3.016 20 0 GGADMN NC(=O)[C@@H](NCCCOCCc1ccccc1)c1ccc(Br)cc1 ZINC000105401567 564967347 /nfs/dbraw/zinc/96/73/47/564967347.db2.gz ZNUSXIKJVNDBEW-SFHVURJKSA-N 0 1 391.309 3.215 20 0 GGADMN CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1 ZINC000105589741 564968496 /nfs/dbraw/zinc/96/84/96/564968496.db2.gz XLWHQLBBNPZSJE-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000152887112 564975711 /nfs/dbraw/zinc/97/57/11/564975711.db2.gz WHVMABYTJFYYRF-RISCZKNCSA-N 0 1 396.862 3.464 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000152978485 564979804 /nfs/dbraw/zinc/97/98/04/564979804.db2.gz PNWVNUJLPPUBNC-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000106398959 564983079 /nfs/dbraw/zinc/98/30/79/564983079.db2.gz LAHAJCHRRAEKSG-UHFFFAOYSA-N 0 1 389.323 3.068 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN(Cc2cccs2)Cc2cccs2)C[C@@H](C)O1 ZINC000106381027 564983110 /nfs/dbraw/zinc/98/31/10/564983110.db2.gz YVRSUUUKBJEHAH-ZACQAIPSSA-N 0 1 380.579 3.282 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1Br ZINC000106459544 564983741 /nfs/dbraw/zinc/98/37/41/564983741.db2.gz XZZDSAYQRMMRRL-CYBMUJFWSA-N 0 1 397.292 3.467 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000106583014 564985485 /nfs/dbraw/zinc/98/54/85/564985485.db2.gz FEIROJKWHOBZME-LLVKDONJSA-N 0 1 378.826 3.116 20 0 GGADMN Cc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)s1 ZINC000153231843 564988476 /nfs/dbraw/zinc/98/84/76/564988476.db2.gz PCVQDJLLKUWREO-UHFFFAOYSA-N 0 1 392.282 3.489 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000106800909 564988923 /nfs/dbraw/zinc/98/89/23/564988923.db2.gz IBVKWMBDDQMNDS-MRXNPFEDSA-N 0 1 384.351 3.164 20 0 GGADMN O=C(CSc1nncs1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000106829261 564989292 /nfs/dbraw/zinc/98/92/92/564989292.db2.gz FAMWJJYCXZOLBN-UHFFFAOYSA-N 0 1 396.969 3.312 20 0 GGADMN CC[C@@H](C)CS(=O)(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000153249373 564989506 /nfs/dbraw/zinc/98/95/06/564989506.db2.gz SYJJQROIHHRDMX-OAHLLOKOSA-N 0 1 388.961 3.149 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(Br)c3C)C2)CC1 ZINC000106945451 564992355 /nfs/dbraw/zinc/99/23/55/564992355.db2.gz WJBSYHIDYJBNGU-HNNXBMFYSA-N 0 1 395.345 3.001 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(Br)c(C)c3)C2)CC1 ZINC000106938034 564992418 /nfs/dbraw/zinc/99/24/18/564992418.db2.gz OYYZAFRPMJLRFC-MRXNPFEDSA-N 0 1 395.345 3.001 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(Br)cc3C)C2)CC1 ZINC000106938829 564992724 /nfs/dbraw/zinc/99/27/24/564992724.db2.gz VXKRPLZZJXOFCZ-INIZCTEOSA-N 0 1 395.345 3.001 20 0 GGADMN O=C(Cc1cc(F)ccc1Br)NCc1nc2ccc(F)cc2[nH]1 ZINC000153396877 564993434 /nfs/dbraw/zinc/99/34/34/564993434.db2.gz ITQRFAQEXCCMQN-UHFFFAOYSA-N 0 1 380.192 3.463 20 0 GGADMN CC1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000153403397 564993752 /nfs/dbraw/zinc/99/37/52/564993752.db2.gz HNPDFBKCHVZAEF-UHFFFAOYSA-N 0 1 396.228 3.005 20 0 GGADMN C[NH+](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000107062022 564994158 /nfs/dbraw/zinc/99/41/58/564994158.db2.gz MTHIEPRUOLREND-UHFFFAOYSA-N 0 1 381.885 3.031 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCc2cc(Br)cs2)C[C@H](C)O1 ZINC000107211189 564996014 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Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000113097609 565067935 /nfs/dbraw/zinc/06/79/35/565067935.db2.gz JMQHOLONTBNCMV-UHFFFAOYSA-N 0 1 379.247 3.152 20 0 GGADMN CN(C)c1ncc(Br)cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000113141566 565068126 /nfs/dbraw/zinc/06/81/26/565068126.db2.gz UNLKZGHCZVVXIP-ZDUSSCGKSA-N 0 1 397.342 3.004 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000113302784 565069197 /nfs/dbraw/zinc/06/91/97/565069197.db2.gz YPJMOFIDAPFIJV-UHFFFAOYSA-N 0 1 379.913 3.020 20 0 GGADMN CC(C)(C)S(=O)(=O)CCNCC1=Cc2cc(Br)ccc2OC1 ZINC000113344957 565069255 /nfs/dbraw/zinc/06/92/55/565069255.db2.gz STRZVZYNSIQQHN-UHFFFAOYSA-N 0 1 388.327 3.028 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2Br)CC1 ZINC000155613949 565069775 /nfs/dbraw/zinc/06/97/75/565069775.db2.gz DFZOOGLOSUBKSY-CYBMUJFWSA-N 0 1 389.297 3.195 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2occc2Br)CC1 ZINC000155676876 565070455 /nfs/dbraw/zinc/07/04/55/565070455.db2.gz DWXUMSPXKPYUPK-LBPRGKRZSA-N 0 1 378.270 3.393 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccncc2Br)CC1 ZINC000155680505 565070585 /nfs/dbraw/zinc/07/05/85/565070585.db2.gz RRNOOWSLRXNLKG-ZDUSSCGKSA-N 0 1 389.297 3.195 20 0 GGADMN COc1ccccc1[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1noc(C)n1 ZINC000113948095 565071742 /nfs/dbraw/zinc/07/17/42/565071742.db2.gz KPXYLSLJYJFVQN-AWEZNQCLSA-N 0 1 399.881 3.169 20 0 GGADMN O=C(CSc1c[nH]nn1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000155975740 565073536 /nfs/dbraw/zinc/07/35/36/565073536.db2.gz PGLRYXNKRDYMCI-UHFFFAOYSA-N 0 1 381.177 3.317 20 0 GGADMN COc1ccc(Br)c(CC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000156070554 565074511 /nfs/dbraw/zinc/07/45/11/565074511.db2.gz JTLBEECIWMHNSZ-OAHLLOKOSA-N 0 1 397.338 3.481 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000156294495 565078542 /nfs/dbraw/zinc/07/85/42/565078542.db2.gz FGMAUPKJJVTWPP-IINYFYTJSA-N 0 1 383.275 3.315 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000156294249 565078656 /nfs/dbraw/zinc/07/86/56/565078656.db2.gz FGMAUPKJJVTWPP-QMTHXVAHSA-N 0 1 383.275 3.315 20 0 GGADMN Cc1c(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cnn1C ZINC000291849695 565079987 /nfs/dbraw/zinc/07/99/87/565079987.db2.gz FSQRAFREINYSBO-UHFFFAOYSA-N 0 1 385.314 3.150 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1nc(C(F)(F)F)cs1)c1ccsc1 ZINC000266449097 565080102 /nfs/dbraw/zinc/08/01/02/565080102.db2.gz BZLDSJFGABRMAX-NSHDSACASA-N 0 1 392.472 3.368 20 0 GGADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000156323766 565080154 /nfs/dbraw/zinc/08/01/54/565080154.db2.gz LEPWXTHOLDVWNC-UHFFFAOYSA-N 0 1 379.825 3.112 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCN(C2CCOCC2)CC1 ZINC000183600596 565080614 /nfs/dbraw/zinc/08/06/14/565080614.db2.gz NAWLPJKHWJXIAV-QGZVFWFLSA-N 0 1 387.307 3.004 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1nc(C(F)(F)F)cs1)c1ccsc1 ZINC000266449094 565080680 /nfs/dbraw/zinc/08/06/80/565080680.db2.gz BZLDSJFGABRMAX-LLVKDONJSA-N 0 1 392.472 3.368 20 0 GGADMN OC[C@@]1(c2ccccc2)CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000291858367 565080970 /nfs/dbraw/zinc/08/09/70/565080970.db2.gz PGYRDOKWXHUUJA-RTBURBONSA-N 0 1 376.294 3.119 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000183599879 565080980 /nfs/dbraw/zinc/08/09/80/565080980.db2.gz YHCBIHLRPPCUGZ-OAHLLOKOSA-N 0 1 385.302 3.195 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(Br)cc2)c1 ZINC000266487658 565081789 /nfs/dbraw/zinc/08/17/89/565081789.db2.gz RQURNMSNAAGBAG-GFCCVEGCSA-N 0 1 383.311 3.208 20 0 GGADMN COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1Br ZINC000369232132 565082489 /nfs/dbraw/zinc/08/24/89/565082489.db2.gz YHRCPNQDNADFNU-DOTOQJQBSA-N 0 1 394.313 3.279 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000183630706 565083879 /nfs/dbraw/zinc/08/38/79/565083879.db2.gz RIUCHARLYZOYCJ-SECBINFHSA-N 0 1 382.488 3.184 20 0 GGADMN CC(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000156384534 565084137 /nfs/dbraw/zinc/08/41/37/565084137.db2.gz URPCDYAONRBWKS-UHFFFAOYSA-N 0 1 382.869 3.128 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc(Br)cs2)n[nH]1 ZINC000291892812 565085017 /nfs/dbraw/zinc/08/50/17/565085017.db2.gz LZNYTVYINWUPED-JTQLQIEISA-N 0 1 385.287 3.143 20 0 GGADMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cc(F)cc(Br)c2)cn1 ZINC000369285107 565085590 /nfs/dbraw/zinc/08/55/90/565085590.db2.gz UVYPIBAWBUNZHA-DLBZAZTESA-N 0 1 382.277 3.410 20 0 GGADMN CON(C)C(=O)C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000291918820 565086107 /nfs/dbraw/zinc/08/61/07/565086107.db2.gz SELZGQNLBHSBAF-UHFFFAOYSA-N 0 1 392.297 3.229 20 0 GGADMN Cn1cnc2cc(C(=O)Nc3cc(Cl)cc(Br)c3O)cnc21 ZINC000183667735 565086231 /nfs/dbraw/zinc/08/62/31/565086231.db2.gz KIDLNVIVTMZJNS-UHFFFAOYSA-N 0 1 381.617 3.342 20 0 GGADMN CC(C)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 ZINC000156437657 565087122 /nfs/dbraw/zinc/08/71/22/565087122.db2.gz JONQGEROEMIGGM-UHFFFAOYSA-N 0 1 382.869 3.128 20 0 GGADMN Cc1nc(C[S@](=O)Cc2csc(COc3ccc(Cl)cc3)n2)n[nH]1 ZINC000291955674 565088631 /nfs/dbraw/zinc/08/86/31/565088631.db2.gz QYSTUGWCZHEJHK-XMMPIXPASA-N 0 1 382.898 3.251 20 0 GGADMN NC(=O)C1(CN[C@@H](c2ccco2)c2ccc(Br)cc2)CCOCC1 ZINC000183705226 565089708 /nfs/dbraw/zinc/08/97/08/565089708.db2.gz JJBSEHSMYQENES-MRXNPFEDSA-N 0 1 393.281 3.003 20 0 GGADMN O=C1[C@@H](NCc2cncc(Br)c2)CCN1c1ccccc1Cl ZINC000183705774 565090239 /nfs/dbraw/zinc/09/02/39/565090239.db2.gz NFMHOWKHFXJIAZ-AWEZNQCLSA-N 0 1 380.673 3.393 20 0 GGADMN O=C1[C@H](NCc2cncc(Br)c2)CCN1c1ccc(Cl)cc1 ZINC000183716689 565090832 /nfs/dbraw/zinc/09/08/32/565090832.db2.gz GKCRTTFPFAFYTQ-OAHLLOKOSA-N 0 1 380.673 3.393 20 0 GGADMN COC(=O)c1cn(C2CCN([C@@H](C)c3cccc(Br)c3)CC2)nn1 ZINC000183717570 565090877 /nfs/dbraw/zinc/09/08/77/565090877.db2.gz DAXVKCHQBMBDKW-LBPRGKRZSA-N 0 1 393.285 3.225 20 0 GGADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Br)c1 ZINC000266790621 565091295 /nfs/dbraw/zinc/09/12/95/565091295.db2.gz PBIBCNHTBLVMLO-YGRLFVJLSA-N 0 1 392.219 3.283 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1N1CCOC1=O ZINC000266794148 565091411 /nfs/dbraw/zinc/09/14/11/565091411.db2.gz QAYSVPIMVMCBSI-UHFFFAOYSA-N 0 1 381.841 3.109 20 0 GGADMN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Br)c1 ZINC000266790615 565091569 /nfs/dbraw/zinc/09/15/69/565091569.db2.gz PBIBCNHTBLVMLO-IINYFYTJSA-N 0 1 392.219 3.283 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)n[nH]1 ZINC000292018398 565092514 /nfs/dbraw/zinc/09/25/14/565092514.db2.gz OYJPNUSUTQHHTE-ZDUSSCGKSA-N 0 1 397.248 3.220 20 0 GGADMN Cc1cc(CNC[C@](O)(c2nccn2C)C(F)(F)F)ccc1Br ZINC000266815497 565092653 /nfs/dbraw/zinc/09/26/53/565092653.db2.gz XEROVRRJDQREAF-AWEZNQCLSA-N 0 1 392.219 3.031 20 0 GGADMN O=C1C[C@@H](NCc2cncc(Br)c2)CN1c1c(F)cccc1F ZINC000183760835 565093684 /nfs/dbraw/zinc/09/36/84/565093684.db2.gz SFPPPCJGDXDJQI-GFCCVEGCSA-N 0 1 382.208 3.017 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cccc(Br)c2)c1 ZINC000266863288 565093966 /nfs/dbraw/zinc/09/39/66/565093966.db2.gz LMTSHXNJWXUIOE-GFCCVEGCSA-N 0 1 383.311 3.208 20 0 GGADMN CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000266879295 565095628 /nfs/dbraw/zinc/09/56/28/565095628.db2.gz ZWSIPDDGWYCQAA-CQSZACIVSA-N 0 1 376.551 3.479 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)CSc1nnc(C)[nH]1 ZINC000292062885 565096353 /nfs/dbraw/zinc/09/63/53/565096353.db2.gz UQFJIHPAXJIIRP-UHFFFAOYSA-N 0 1 389.250 3.144 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)CSc1nc(C)n[nH]1 ZINC000292062885 565096357 /nfs/dbraw/zinc/09/63/57/565096357.db2.gz UQFJIHPAXJIIRP-UHFFFAOYSA-N 0 1 389.250 3.144 20 0 GGADMN Cc1ccccc1NC(=O)[C@H](C)N[C@H](CO)c1ccc(Br)cc1 ZINC000292090615 565097277 /nfs/dbraw/zinc/09/72/77/565097277.db2.gz FJKZRPGTMFTYJT-SUMWQHHRSA-N 0 1 377.282 3.408 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2)n[nH]1 ZINC000292083254 565097678 /nfs/dbraw/zinc/09/76/78/565097678.db2.gz UIUVXDPNVDOVQT-ZDUSSCGKSA-N 0 1 397.248 3.220 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000266973704 565098450 /nfs/dbraw/zinc/09/84/50/565098450.db2.gz MUAQLQKEXSKRSI-NSHDSACASA-N 0 1 395.531 3.054 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266973702 565098468 /nfs/dbraw/zinc/09/84/68/565098468.db2.gz MUAQLQKEXSKRSI-LLVKDONJSA-N 0 1 395.531 3.054 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000156652976 565099228 /nfs/dbraw/zinc/09/92/28/565099228.db2.gz ZQDGXGFXNHNRJK-LLVKDONJSA-N 0 1 392.714 3.386 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)c(OC)c1 ZINC000266977621 565099538 /nfs/dbraw/zinc/09/95/38/565099538.db2.gz OMBYLKKLKJREFU-GFCCVEGCSA-N 0 1 397.547 3.300 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000267001148 565099550 /nfs/dbraw/zinc/09/95/50/565099550.db2.gz CUTBZMFHQARTMW-UHFFFAOYSA-N 0 1 396.329 3.394 20 0 GGADMN C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)C(=O)N1CCc2sccc2C1 ZINC000292137404 565099943 /nfs/dbraw/zinc/09/99/43/565099943.db2.gz TYAYEPRUZZZYBF-LXIYXOSZSA-N 0 1 376.547 3.375 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000292138763 565100150 /nfs/dbraw/zinc/10/01/50/565100150.db2.gz TZTZHFNPYZBCLL-AWEZNQCLSA-N 0 1 393.559 3.129 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000292138766 565100270 /nfs/dbraw/zinc/10/02/70/565100270.db2.gz TZTZHFNPYZBCLL-CQSZACIVSA-N 0 1 393.559 3.129 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2sccc2C1)[C@@H]1OCCc2sccc21 ZINC000292137407 565100496 /nfs/dbraw/zinc/10/04/96/565100496.db2.gz TYAYEPRUZZZYBF-VBHSOAQHSA-N 0 1 376.547 3.375 20 0 GGADMN CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000267005647 565100846 /nfs/dbraw/zinc/10/08/46/565100846.db2.gz LMLGUPFQBVISGB-UHFFFAOYSA-N 0 1 382.536 3.086 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1sc(C)cc1Br)c1ccco1 ZINC000267008267 565101465 /nfs/dbraw/zinc/10/14/65/565101465.db2.gz HIXGALVNVQKDOQ-SNVBAGLBSA-N 0 1 380.285 3.078 20 0 GGADMN O=S(=O)(CCN[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000292144064 565101416 /nfs/dbraw/zinc/10/14/16/565101416.db2.gz 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565106484 /nfs/dbraw/zinc/10/64/84/565106484.db2.gz DTWJWSWUQIYNIM-RUZDIDTESA-N 0 1 379.873 3.255 20 0 GGADMN O=S(=O)(c1ccccc1F)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000369678594 565106600 /nfs/dbraw/zinc/10/66/00/565106600.db2.gz PEVKWLICYLCWCP-UHFFFAOYSA-N 0 1 377.363 3.136 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000292243082 565106678 /nfs/dbraw/zinc/10/66/78/565106678.db2.gz JNJSJNMCWXKFLX-WFBYXXMGSA-N 0 1 378.274 3.182 20 0 GGADMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)[C@H]1CCCOC1 ZINC000183959161 565107383 /nfs/dbraw/zinc/10/73/83/565107383.db2.gz IJJMIZLXDNWDDT-JTQLQIEISA-N 0 1 382.283 3.322 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)cc1 ZINC000267204456 565109604 /nfs/dbraw/zinc/10/96/04/565109604.db2.gz GGBHIQKMAKATDM-HZMBPMFUSA-N 0 1 392.219 3.283 20 0 GGADMN C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1cccc(Br)c1 ZINC000292328929 565110190 /nfs/dbraw/zinc/11/01/90/565110190.db2.gz ASAFUMRLULALIE-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN 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565169308 /nfs/dbraw/zinc/16/93/08/565169308.db2.gz GVRSZWDHTFFLIQ-OAHLLOKOSA-N 0 1 375.201 3.226 20 0 GGADMN C[C@H](CC(=O)NC1(c2nnc[nH]2)CCC1)c1ccc(F)c(Br)c1 ZINC000293469617 565169966 /nfs/dbraw/zinc/16/99/66/565169966.db2.gz WXKPBQAVBYSKJP-SNVBAGLBSA-N 0 1 381.249 3.396 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000268884364 565170248 /nfs/dbraw/zinc/17/02/48/565170248.db2.gz FTUHUXAXFRSBAG-ZIAGYGMSSA-N 0 1 391.269 3.373 20 0 GGADMN COc1cc(Br)c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1OC ZINC000268863727 565170373 /nfs/dbraw/zinc/17/03/73/565170373.db2.gz GVWQWONLVOUSPD-LLVKDONJSA-N 0 1 395.257 3.389 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N[C@H]1CCOc2ccc(Br)cc21 ZINC000268884360 565170983 /nfs/dbraw/zinc/17/09/83/565170983.db2.gz FTUHUXAXFRSBAG-UONOGXRCSA-N 0 1 391.269 3.373 20 0 GGADMN Cc1cccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1I ZINC000268982223 565173860 /nfs/dbraw/zinc/17/38/60/565173860.db2.gz NMJZNACELJYWSH-GFCCVEGCSA-N 0 1 381.217 3.130 20 0 GGADMN Cc1cc(Br)cn2c(CN3CCC4(CC3)OCCCO4)cnc12 ZINC000293577926 565175188 /nfs/dbraw/zinc/17/51/88/565175188.db2.gz HNLKDUCVCSMEPP-UHFFFAOYSA-N 0 1 380.286 3.134 20 0 GGADMN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269040597 565176612 /nfs/dbraw/zinc/17/66/12/565176612.db2.gz YIZBELPZWXNNQJ-FZMZJTMJSA-N 0 1 376.869 3.060 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)s1 ZINC000293632535 565177291 /nfs/dbraw/zinc/17/72/91/565177291.db2.gz KGLXIKYOSAYOJO-CYBMUJFWSA-N 0 1 380.535 3.094 20 0 GGADMN CN1CCN(C)[C@H](CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)C1 ZINC000293613370 565177682 /nfs/dbraw/zinc/17/76/82/565177682.db2.gz GRKZLRPYOVEMMT-CRAIPNDOSA-N 0 1 396.304 3.106 20 0 GGADMN CCc1nc(CN2CCN([C@H](C)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000158683871 565177848 /nfs/dbraw/zinc/17/78/48/565177848.db2.gz XEKGVFFLPXAYQP-CYBMUJFWSA-N 0 1 378.318 3.008 20 0 GGADMN CC(C)(C)c1ncc(CNCc2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000185092400 565177985 /nfs/dbraw/zinc/17/79/85/565177985.db2.gz ITSAWAYINGFNJA-UHFFFAOYSA-N 0 1 379.551 3.270 20 0 GGADMN CC(C)(C)OC(=O)[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000269129025 565179078 /nfs/dbraw/zinc/17/90/78/565179078.db2.gz GSOZIEXGOIPFKV-LBPRGKRZSA-N 0 1 397.547 3.118 20 0 GGADMN COc1cc(Br)c(CNC2CCC(NC(C)=O)CC2)c(OC)c1 ZINC000269167890 565179356 /nfs/dbraw/zinc/17/93/56/565179356.db2.gz XREJZUUGGSOSCT-UHFFFAOYSA-N 0 1 385.302 3.003 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000269174438 565180022 /nfs/dbraw/zinc/18/00/22/565180022.db2.gz YZKIUTYZJJWYMW-NWDGAFQWSA-N 0 1 385.580 3.449 20 0 GGADMN COc1ccc([C@@H](CNCc2ncc(CSC)s2)N(C)C)cc1OC ZINC000293677947 565180241 /nfs/dbraw/zinc/18/02/41/565180241.db2.gz AFGDEAHDEABAIQ-OAHLLOKOSA-N 0 1 381.567 3.416 20 0 GGADMN CCc1nc(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n[nH]1 ZINC000185176907 565184402 /nfs/dbraw/zinc/18/44/02/565184402.db2.gz LFAVNCLCRAXPPQ-UHFFFAOYSA-N 0 1 375.782 3.110 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000269279399 565184645 /nfs/dbraw/zinc/18/46/45/565184645.db2.gz PIDQJGDXMGMKFH-HNNXBMFYSA-N 0 1 396.329 3.252 20 0 GGADMN Cc1cc(N2CC[C@@H](NCc3cccc4nccn43)C2=O)ccc1Br ZINC000185189840 565185508 /nfs/dbraw/zinc/18/55/08/565185508.db2.gz MREHSFYNFWTFSX-QGZVFWFLSA-N 0 1 399.292 3.300 20 0 GGADMN COc1ccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1Br ZINC000185208568 565186718 /nfs/dbraw/zinc/18/67/18/565186718.db2.gz VFQLYSHFZNPRRE-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN O=C(Cc1ccc(Br)c(F)c1)NCc1nc2ccc(F)cc2[nH]1 ZINC000159001494 565190509 /nfs/dbraw/zinc/19/05/09/565190509.db2.gz AOBLBKKVMQOAHZ-UHFFFAOYSA-N 0 1 380.192 3.463 20 0 GGADMN CC(C)Cc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)cs1 ZINC000293918969 565190933 /nfs/dbraw/zinc/19/09/33/565190933.db2.gz PDPYJESWVFCYJS-GHMZBOCLSA-N 0 1 377.432 3.013 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NC1(Cc2ccccc2Br)CC1 ZINC000293919281 565191073 /nfs/dbraw/zinc/19/10/73/565191073.db2.gz PGDGIGSISAEMNG-UHFFFAOYSA-N 0 1 377.286 3.172 20 0 GGADMN COc1cc(CN[C@H]2CCS(=O)(=O)[C@H]2C)ccc1OCc1cccs1 ZINC000293962508 565191764 /nfs/dbraw/zinc/19/17/64/565191764.db2.gz PZQCHPXRMWILJF-BBRMVZONSA-N 0 1 381.519 3.001 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)sc1C ZINC000185264702 565192010 /nfs/dbraw/zinc/19/20/10/565192010.db2.gz ARLHXCRXJGXFFI-LBPRGKRZSA-N 0 1 386.470 3.115 20 0 GGADMN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2cc(F)ccc2Br)cn1 ZINC000371417102 565192242 /nfs/dbraw/zinc/19/22/42/565192242.db2.gz JDOJTOPXKDUMIU-RDJZCZTQSA-N 0 1 382.277 3.410 20 0 GGADMN Cc1nnc(SCCC(=O)NC2(Cc3ccccc3Br)CC2)[nH]1 ZINC000293990165 565192524 /nfs/dbraw/zinc/19/25/24/565192524.db2.gz WHVLJKCMZULOTJ-UHFFFAOYSA-N 0 1 395.326 3.249 20 0 GGADMN C[C@@](N)(C(=O)NCCCCNc1ccccn1)c1ccc(Br)cc1 ZINC000294045042 565196351 /nfs/dbraw/zinc/19/63/51/565196351.db2.gz IUZKVPHRVNCLGU-SFHVURJKSA-N 0 1 391.313 3.027 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Br)nc2)CC1 ZINC000269631192 565196560 /nfs/dbraw/zinc/19/65/60/565196560.db2.gz WBPKVFNAENJVIM-CYBMUJFWSA-N 0 1 389.297 3.195 20 0 GGADMN COC(=O)C1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000159183549 565196988 /nfs/dbraw/zinc/19/69/88/565196988.db2.gz OHOHQZRCRQUXMS-UHFFFAOYSA-N 0 1 392.297 3.328 20 0 GGADMN OCCOCCN[C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000159198059 565198264 /nfs/dbraw/zinc/19/82/64/565198264.db2.gz RKTGFUKUTBSOJI-SFHVURJKSA-N 0 1 382.273 3.471 20 0 GGADMN O=C(C[C@@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1)c1ccc(F)cc1 ZINC000269741680 565198762 /nfs/dbraw/zinc/19/87/62/565198762.db2.gz ZEJXRTQOMVPAKX-LBPRGKRZSA-N 0 1 397.522 3.322 20 0 GGADMN COCCn1c(NC(=O)c2ccc(Br)c(O)c2)nc2ccccc21 ZINC000185430405 565201589 /nfs/dbraw/zinc/20/15/89/565201589.db2.gz VKIQICVXAAVFOW-UHFFFAOYSA-N 0 1 390.237 3.403 20 0 GGADMN COc1ccc(Br)c(CN[C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269901567 565202308 /nfs/dbraw/zinc/20/23/08/565202308.db2.gz FSEXFRRHHWMLLG-MAUKXSAKSA-N 0 1 380.282 3.032 20 0 GGADMN Cc1ncc(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)s1 ZINC000269937663 565203556 /nfs/dbraw/zinc/20/35/56/565203556.db2.gz FMUAHPHXJUGHKL-UHFFFAOYSA-N 0 1 387.914 3.386 20 0 GGADMN CN(Cc1ccc(Cl)nc1)C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000294236148 565204357 /nfs/dbraw/zinc/20/43/57/565204357.db2.gz YBXSKKJGCYVOBG-INIZCTEOSA-N 0 1 382.689 3.330 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cncc(Cl)c1 ZINC000269994318 565205894 /nfs/dbraw/zinc/20/58/94/565205894.db2.gz PUEMAQYFRYMRRH-UHFFFAOYSA-N 0 1 379.913 3.020 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cncc(Cl)c1 ZINC000270025362 565206645 /nfs/dbraw/zinc/20/66/45/565206645.db2.gz XLCBESUOGXJDCA-WMZOPIPTSA-N 0 1 377.897 3.040 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cncc(Cl)c1 ZINC000270025358 565207010 /nfs/dbraw/zinc/20/70/10/565207010.db2.gz XLCBESUOGXJDCA-FUHWJXTLSA-N 0 1 377.897 3.040 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc(F)c1Br ZINC000294341771 565208811 /nfs/dbraw/zinc/20/88/11/565208811.db2.gz PJQNDLWJRYCLQM-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc([S@](C)=O)cc1 ZINC000270128959 565209322 /nfs/dbraw/zinc/20/93/22/565209322.db2.gz OEEHTGLHMYPYNC-CCLKGCNTSA-N 0 1 379.551 3.149 20 0 GGADMN COC(=O)C[C@H]1CN(C(=O)c2ccc(Br)cc2O)c2ccccc21 ZINC000371786289 565209735 /nfs/dbraw/zinc/20/97/35/565209735.db2.gz GGMONGUAIFPOGM-NSHDSACASA-N 0 1 390.233 3.462 20 0 GGADMN Cc1ccc(CCC(=O)N2CCN(C3CCOCC3)CC2)c(Br)c1 ZINC000185611627 565211289 /nfs/dbraw/zinc/21/12/89/565211289.db2.gz MYRNKLLWKQOIEU-UHFFFAOYSA-N 0 1 395.341 3.013 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc2ccc(Br)cc2s1 ZINC000294433794 565212299 /nfs/dbraw/zinc/21/22/99/565212299.db2.gz ANXHJIRKMWVYGW-GFCCVEGCSA-N 0 1 396.354 3.030 20 0 GGADMN Cc1nn(C(C)(C)C)c(C)c1CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000270266273 565213509 /nfs/dbraw/zinc/21/35/09/565213509.db2.gz VEVQKNDMUSBNIX-UHFFFAOYSA-N 0 1 383.945 3.472 20 0 GGADMN O=C(CCCc1ccc(Br)s1)N1CCC(c2nc[nH]n2)CC1 ZINC000371919371 565215974 /nfs/dbraw/zinc/21/59/74/565215974.db2.gz UYWYIVLGGLHOFC-UHFFFAOYSA-N 0 1 383.315 3.358 20 0 GGADMN CS(=O)(=O)C1(C(=O)Nc2cc(Cl)cc(Br)c2O)CCCC1 ZINC000270372145 565216137 /nfs/dbraw/zinc/21/61/37/565216137.db2.gz KJXSNKWZIGQMJN-UHFFFAOYSA-N 0 1 396.690 3.104 20 0 GGADMN CN(CCSc1nnc(NC[C@@H]2CCCO2)s1)Cc1ccc(F)cc1 ZINC000185685603 565216109 /nfs/dbraw/zinc/21/61/09/565216109.db2.gz PADGIRVTYNIQHE-HNNXBMFYSA-N 0 1 382.530 3.492 20 0 GGADMN C[C@@H](Cc1ccccc1Br)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000371936741 565217313 /nfs/dbraw/zinc/21/73/13/565217313.db2.gz GIHGEHRBDLCICJ-GXTWGEPZSA-N 0 1 392.301 3.087 20 0 GGADMN CCSCc1ccnc(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000270499167 565219995 /nfs/dbraw/zinc/21/99/95/565219995.db2.gz WOFYAWCPSHPPCP-UHFFFAOYSA-N 0 1 383.470 3.233 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C2(Cc3ccccc3Br)CC2)n[nH]1 ZINC000294597452 565220515 /nfs/dbraw/zinc/22/05/15/565220515.db2.gz OITXPGNIBYIKIT-LLVKDONJSA-N 0 1 377.286 3.330 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)nc1C ZINC000185779108 565221653 /nfs/dbraw/zinc/22/16/53/565221653.db2.gz QLEYTOUOKYWBBW-UHFFFAOYSA-N 0 1 387.241 3.202 20 0 GGADMN Cc1nn(C)c(CN[C@@H](C)CCCNC(=O)OC(C)(C)C)c1Br ZINC000294675204 565222691 /nfs/dbraw/zinc/22/26/91/565222691.db2.gz ATHSXOIDMPOUOI-NSHDSACASA-N 0 1 389.338 3.274 20 0 GGADMN CC(C)c1nc(CNCc2c(Br)cncc2Br)n[nH]1 ZINC000294681365 565223283 /nfs/dbraw/zinc/22/32/83/565223283.db2.gz BOBCZHLJDHZZSY-UHFFFAOYSA-N 0 1 389.095 3.138 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000270584987 565223287 /nfs/dbraw/zinc/22/32/87/565223287.db2.gz ASKIKRRYDSYUNH-QWRGUYRKSA-N 0 1 381.274 3.083 20 0 GGADMN CCN(CC(=O)N1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000185821864 565223920 /nfs/dbraw/zinc/22/39/20/565223920.db2.gz PWQSBRDVHDHYIB-UHFFFAOYSA-N 0 1 381.314 3.303 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000270584984 565224032 /nfs/dbraw/zinc/22/40/32/565224032.db2.gz ASKIKRRYDSYUNH-MNOVXSKESA-N 0 1 381.274 3.083 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)n[nH]1 ZINC000270606487 565224040 /nfs/dbraw/zinc/22/40/40/565224040.db2.gz FOIFRDUVJNPIJH-SFYZADRCSA-N 0 1 376.408 3.354 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl ZINC000270653198 565224612 /nfs/dbraw/zinc/22/46/12/565224612.db2.gz MJMYNXBBMKGVQJ-VIFPVBQESA-N 0 1 381.889 3.119 20 0 GGADMN CC(C)CS(=O)(=O)CCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000270690661 565226359 /nfs/dbraw/zinc/22/63/59/565226359.db2.gz XOASVOCEAHLGOS-UHFFFAOYSA-N 0 1 398.706 3.208 20 0 GGADMN Cc1c(CNCc2cc(Br)cc(Br)c2N)cnn1C ZINC000185876093 565226468 /nfs/dbraw/zinc/22/64/68/565226468.db2.gz PQFOVFXNSSFNHL-UHFFFAOYSA-N 0 1 388.107 3.126 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)n[nH]1 ZINC000270730721 565226917 /nfs/dbraw/zinc/22/69/17/565226917.db2.gz JQCJAXAPEJYAEB-GHMZBOCLSA-N 0 1 393.285 3.216 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)n[nH]1 ZINC000270730733 565227424 /nfs/dbraw/zinc/22/74/24/565227424.db2.gz JQCJAXAPEJYAEB-WDEREUQCSA-N 0 1 393.285 3.216 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(F)cc2Br)n[nH]1 ZINC000270745309 565227514 /nfs/dbraw/zinc/22/75/14/565227514.db2.gz NRXRFJISIJJMMN-VIFPVBQESA-N 0 1 384.253 3.390 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Br)n[nH]1 ZINC000270759097 565227693 /nfs/dbraw/zinc/22/76/93/565227693.db2.gz OGAZUJLKLCNBIQ-WDEREUQCSA-N 0 1 381.274 3.335 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Br)n[nH]1 ZINC000270759092 565227731 /nfs/dbraw/zinc/22/77/31/565227731.db2.gz OGAZUJLKLCNBIQ-MNOVXSKESA-N 0 1 381.274 3.335 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(Br)c2COC)n[nH]1 ZINC000270807637 565228459 /nfs/dbraw/zinc/22/84/59/565228459.db2.gz XKPIWYGVDCSIKE-SECBINFHSA-N 0 1 382.262 3.159 20 0 GGADMN COc1ccc(Br)cc1CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185910453 565228487 /nfs/dbraw/zinc/22/84/87/565228487.db2.gz FYHZPTQEYARHRM-HNNXBMFYSA-N 0 1 397.700 3.297 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cccc(Br)c2COC)n[nH]1 ZINC000270807639 565228868 /nfs/dbraw/zinc/22/88/68/565228868.db2.gz XKPIWYGVDCSIKE-VIFPVBQESA-N 0 1 382.262 3.159 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000270779653 565228966 /nfs/dbraw/zinc/22/89/66/565228966.db2.gz SHUFCSDXYFGNMX-JOYOIKCWSA-N 0 1 379.258 3.044 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000270779651 565229033 /nfs/dbraw/zinc/22/90/33/565229033.db2.gz SHUFCSDXYFGNMX-BXKDBHETSA-N 0 1 379.258 3.044 20 0 GGADMN COc1c(Br)cccc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294812714 565229480 /nfs/dbraw/zinc/22/94/80/565229480.db2.gz NZWITEKIGJXXQO-DZGCQCFKSA-N 0 1 389.293 3.239 20 0 GGADMN COc1c(Br)cccc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000294812714 565229484 /nfs/dbraw/zinc/22/94/84/565229484.db2.gz NZWITEKIGJXXQO-DZGCQCFKSA-N 0 1 389.293 3.239 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000270810502 565229920 /nfs/dbraw/zinc/22/99/20/565229920.db2.gz XYMIVWYKYPWRGJ-SECBINFHSA-N 0 1 376.258 3.031 20 0 GGADMN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(Br)cc1 ZINC000185958942 565231295 /nfs/dbraw/zinc/23/12/95/565231295.db2.gz RPHVZLVUCWPUHO-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)[nH]1 ZINC000185979144 565233296 /nfs/dbraw/zinc/23/32/96/565233296.db2.gz WIUNJVKIXNZWNQ-ZDUSSCGKSA-N 0 1 399.289 3.471 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)n1 ZINC000185979144 565233300 /nfs/dbraw/zinc/23/33/00/565233300.db2.gz WIUNJVKIXNZWNQ-ZDUSSCGKSA-N 0 1 399.289 3.471 20 0 GGADMN CCOCCOc1ccc(Br)cc1CNCc1n[nH]c(C2CC2)n1 ZINC000294879014 565233673 /nfs/dbraw/zinc/23/36/73/565233673.db2.gz VKFDMIXJOMYVHP-UHFFFAOYSA-N 0 1 395.301 3.150 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2c(Cl)ccnc2Cl)o1 ZINC000270939649 565234181 /nfs/dbraw/zinc/23/41/81/565234181.db2.gz JCFASEJUJTZKAU-UHFFFAOYSA-N 0 1 392.308 3.042 20 0 GGADMN C[C@H](NC(=O)CN1CCC(CCC(N)=O)CC1)c1ccc(Cl)cc1Cl ZINC000270993267 565234632 /nfs/dbraw/zinc/23/46/32/565234632.db2.gz BMTKYVVLUJFHRZ-LBPRGKRZSA-N 0 1 386.323 3.148 20 0 GGADMN O=C1CC[C@@H](CSc2nc(-c3ccccc3Br)n[nH]2)CCN1 ZINC000294885467 565234848 /nfs/dbraw/zinc/23/48/48/565234848.db2.gz CIMCTTRNDLFVIQ-SNVBAGLBSA-N 0 1 381.299 3.243 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NCc1cnc(Br)s1)C1CC1 ZINC000294950315 565237207 /nfs/dbraw/zinc/23/72/07/565237207.db2.gz IZWCDIWYTWDYPV-LLVKDONJSA-N 0 1 376.320 3.299 20 0 GGADMN OC1CCN(CCNCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000294986078 565237946 /nfs/dbraw/zinc/23/79/46/565237946.db2.gz YOSHQKCMPDNSPU-UHFFFAOYSA-N 0 1 396.354 3.119 20 0 GGADMN Cc1ncsc1CCNCc1cn(-c2ccccc2Br)nn1 ZINC000294964568 565238422 /nfs/dbraw/zinc/23/84/22/565238422.db2.gz INHZFGCPJXDYMX-UHFFFAOYSA-N 0 1 378.299 3.127 20 0 GGADMN CCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1 ZINC000186103798 565241107 /nfs/dbraw/zinc/24/11/07/565241107.db2.gz ZJQJKVPLOSFYDV-UHFFFAOYSA-N 0 1 387.910 3.497 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000186180266 565244760 /nfs/dbraw/zinc/24/47/60/565244760.db2.gz VHWJQQHKDJEOKX-YWTKSJFSSA-N 0 1 379.547 3.245 20 0 GGADMN Cn1cc([C@H]2CN(Cc3ccc(Br)o3)CC23CCOCC3)cn1 ZINC000295139576 565246627 /nfs/dbraw/zinc/24/66/27/565246627.db2.gz ZPLSQUWMRIDVHR-OAHLLOKOSA-N 0 1 380.286 3.172 20 0 GGADMN COc1ccc(Br)cc1-c1nc(CNC(C)(C)CC(N)=O)cs1 ZINC000186208850 565247309 /nfs/dbraw/zinc/24/73/09/565247309.db2.gz WHYJLOWZOMRYRM-UHFFFAOYSA-N 0 1 398.326 3.325 20 0 GGADMN CCOC(=O)c1nn(C)cc1CN(C)CCc1ccc(Br)cc1 ZINC000186209843 565247651 /nfs/dbraw/zinc/24/76/51/565247651.db2.gz XIYPUEOXBRVSBV-UHFFFAOYSA-N 0 1 380.286 3.034 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186207901 565247691 /nfs/dbraw/zinc/24/76/91/565247691.db2.gz BCZYTCWFGQYCBF-UHFFFAOYSA-N 0 1 382.295 3.173 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCCN(CCc3csc(C)n3)CC2)cs1 ZINC000271347095 565249956 /nfs/dbraw/zinc/24/99/56/565249956.db2.gz YCUMNYHGJARZGI-AWEZNQCLSA-N 0 1 380.583 3.366 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000295183838 565250647 /nfs/dbraw/zinc/25/06/47/565250647.db2.gz CBSMCRMVHSLGFD-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN O=C(CNC(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1O ZINC000186262426 565251165 /nfs/dbraw/zinc/25/11/65/565251165.db2.gz FAZZAUHMWQSOGD-UHFFFAOYSA-N 0 1 383.629 3.177 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000186289923 565252357 /nfs/dbraw/zinc/25/23/57/565252357.db2.gz YMBSBDOSZGENKM-UHFFFAOYSA-N 0 1 379.810 3.279 20 0 GGADMN C[C@H]1C[C@H](NC[C@@H](O)CS(=O)(=O)c2cccs2)c2ccsc2S1 ZINC000271432673 565252875 /nfs/dbraw/zinc/25/28/75/565252875.db2.gz BFVPTMKHIPUZKZ-LOWVWBTDSA-N 0 1 389.589 3.159 20 0 GGADMN CCc1nc(CNC(=O)c2cc(C(F)(F)F)ccc2Br)n[nH]1 ZINC000295221984 565253262 /nfs/dbraw/zinc/25/32/62/565253262.db2.gz ANJBNRYYXAFDNO-UHFFFAOYSA-N 0 1 377.164 3.078 20 0 GGADMN CC(=O)N(c1ccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1)C1CC1 ZINC000295246206 565253718 /nfs/dbraw/zinc/25/37/18/565253718.db2.gz VTLAZCQLEYYYCB-UHFFFAOYSA-N 0 1 383.832 3.190 20 0 GGADMN CCc1ccc([C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)cc1 ZINC000372798133 565254142 /nfs/dbraw/zinc/25/41/42/565254142.db2.gz OSTLJXJFMJUGGS-ZDUSSCGKSA-N 0 1 381.548 3.081 20 0 GGADMN C[C@@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271460133 565254062 /nfs/dbraw/zinc/25/40/62/565254062.db2.gz HJWDLGKQJFMOMO-BMIGLBTASA-N 0 1 389.851 3.406 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000271507452 565256167 /nfs/dbraw/zinc/25/61/67/565256167.db2.gz IKEXUBOYJMIMCB-NEPJUHHUSA-N 0 1 379.400 3.493 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)CC[S@](C)=O)nnn1-c1cccc(Br)c1 ZINC000271516743 565257109 /nfs/dbraw/zinc/25/71/09/565257109.db2.gz PSQZUJKTKOTRNL-RSPIHXBNSA-N 0 1 399.358 3.146 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)CC[S@@](C)=O)nnn1-c1cccc(Br)c1 ZINC000271516745 565257405 /nfs/dbraw/zinc/25/74/05/565257405.db2.gz PSQZUJKTKOTRNL-YCDSQXFLSA-N 0 1 399.358 3.146 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000186348485 565257567 /nfs/dbraw/zinc/25/75/67/565257567.db2.gz ROPCKEAXAHSXEJ-UHFFFAOYSA-N 0 1 378.152 3.250 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNCCOCc1ccc(Cl)cc1Cl ZINC000186393769 565259854 /nfs/dbraw/zinc/25/98/54/565259854.db2.gz JVOWDGPKLOFGIM-UHFFFAOYSA-N 0 1 386.279 3.210 20 0 GGADMN Brc1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc2c1OCO2 ZINC000372908762 565260681 /nfs/dbraw/zinc/26/06/81/565260681.db2.gz USAXAUZAXHCYRG-HNNXBMFYSA-N 0 1 387.237 3.175 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n[nH]1 ZINC000295354639 565261365 /nfs/dbraw/zinc/26/13/65/565261365.db2.gz RMVPCAYBCHAKQB-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(Cl)c(F)cc1Cl ZINC000295404973 565263247 /nfs/dbraw/zinc/26/32/47/565263247.db2.gz RCLWUGQEEGIJNQ-NSHDSACASA-N 0 1 375.271 3.458 20 0 GGADMN CSc1ccc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000271752041 565267357 /nfs/dbraw/zinc/26/73/57/565267357.db2.gz VWGCRQFJORERGJ-UHFFFAOYSA-N 0 1 379.507 3.082 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1Cl ZINC000271766630 565267465 /nfs/dbraw/zinc/26/74/65/565267465.db2.gz DLFWHORPAUGJMH-UOXLDJKESA-N 0 1 380.897 3.375 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](CCO)c1ccco1 ZINC000186546241 565267666 /nfs/dbraw/zinc/26/76/66/565267666.db2.gz FFNJRAUFJJFOEX-DOMZBBRYSA-N 0 1 381.270 3.473 20 0 GGADMN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cccc(Br)c1 ZINC000373086390 565269138 /nfs/dbraw/zinc/26/91/38/565269138.db2.gz BTVAXDYMXPVSAH-UHFFFAOYSA-N 0 1 379.239 3.035 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271853054 565269580 /nfs/dbraw/zinc/26/95/80/565269580.db2.gz WRVUNJAHZQDLBC-VDBVYFBLSA-N 0 1 380.897 3.375 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000271849081 565269882 /nfs/dbraw/zinc/26/98/82/565269882.db2.gz VSNQXLVUDHMIMS-JXQWACKNSA-N 0 1 378.925 3.433 20 0 GGADMN Cn1ccnc1[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100559 565270469 /nfs/dbraw/zinc/27/04/69/565270469.db2.gz SKQNLUUHTOOEEQ-CJNGLKHVSA-N 0 1 382.277 3.235 20 0 GGADMN Cc1c(CN[C@@H]2CCCOc3ccc(I)cc32)cnn1C ZINC000373142297 565271745 /nfs/dbraw/zinc/27/17/45/565271745.db2.gz TXDMBMLHHBTHAF-OAHLLOKOSA-N 0 1 397.260 3.337 20 0 GGADMN Clc1cccc(N2CCOCC2)c1CN1CCSC2(CCOCC2)C1 ZINC000295539946 565272125 /nfs/dbraw/zinc/27/21/25/565272125.db2.gz XHGFVHSOPJOQBV-UHFFFAOYSA-N 0 1 382.957 3.275 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000186630887 565273089 /nfs/dbraw/zinc/27/30/89/565273089.db2.gz OCQFHDAEYDCYLT-CYBMUJFWSA-N 0 1 384.929 3.218 20 0 GGADMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cc2c(c(Br)c1)OCO2 ZINC000373150735 565273070 /nfs/dbraw/zinc/27/30/70/565273070.db2.gz CWHZEPMISONDJA-UHFFFAOYSA-N 0 1 387.193 3.215 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1sccc1Br ZINC000186635480 565273372 /nfs/dbraw/zinc/27/33/72/565273372.db2.gz HCOYQZNRERUTIP-UHFFFAOYSA-N 0 1 393.266 3.138 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000186630906 565273431 /nfs/dbraw/zinc/27/34/31/565273431.db2.gz OCQFHDAEYDCYLT-ZDUSSCGKSA-N 0 1 384.929 3.218 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1ccc(Br)cc1 ZINC000186654816 565274645 /nfs/dbraw/zinc/27/46/45/565274645.db2.gz VNKLORKSLCNBFD-UHFFFAOYSA-N 0 1 387.237 3.076 20 0 GGADMN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)s1 ZINC000272000586 565274862 /nfs/dbraw/zinc/27/48/62/565274862.db2.gz AHXFHRBZZHEWPO-QPUJVOFHSA-N 0 1 398.248 3.345 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000186667603 565275575 /nfs/dbraw/zinc/27/55/75/565275575.db2.gz MOUHFYIIIYKKKB-SNVBAGLBSA-N 0 1 377.243 3.144 20 0 GGADMN CC(C)c1nc(CNC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000295590656 565275846 /nfs/dbraw/zinc/27/58/46/565275846.db2.gz DGNZCVGYFZVEIQ-UHFFFAOYSA-N 0 1 376.258 3.031 20 0 GGADMN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186670978 565277158 /nfs/dbraw/zinc/27/71/58/565277158.db2.gz KCAJYZIGTWXGCN-KGLIPLIRSA-N 0 1 384.929 3.218 20 0 GGADMN C[C@@H]1CN(CCCC(=O)c2ccc(Br)cc2)CCN1CC(C)(C)O ZINC000295655491 565279285 /nfs/dbraw/zinc/27/92/85/565279285.db2.gz DNDMQDYKTKBNRZ-OAHLLOKOSA-N 0 1 397.357 3.189 20 0 GGADMN CSc1ccc([C@@H](C)NC[C@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000272148272 565279671 /nfs/dbraw/zinc/27/96/71/565279671.db2.gz UMPWRGHVFJEQOP-BMIGLBTASA-N 0 1 377.407 3.382 20 0 GGADMN Cc1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)c(=O)n1C ZINC000373355705 565279939 /nfs/dbraw/zinc/27/99/39/565279939.db2.gz PVAJQRWXEUIWSA-MRXNPFEDSA-N 0 1 377.282 3.460 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272187470 565280282 /nfs/dbraw/zinc/28/02/82/565280282.db2.gz KGICUOOIEBJGLZ-UHFFFAOYSA-N 0 1 394.349 3.202 20 0 GGADMN CC(=O)NCC1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000272212807 565280334 /nfs/dbraw/zinc/28/03/34/565280334.db2.gz AQHQHGJSGFQGEE-UHFFFAOYSA-N 0 1 376.298 3.345 20 0 GGADMN Cc1ccc(Br)c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000186734583 565281775 /nfs/dbraw/zinc/28/17/75/565281775.db2.gz PGSUFBQYWGVPHG-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCc2cnc(Br)s2)cc1 ZINC000295697536 565281767 /nfs/dbraw/zinc/28/17/67/565281767.db2.gz IXKBBPRFNCIIBU-SNVBAGLBSA-N 0 1 385.283 3.308 20 0 GGADMN Cn1cc(-c2ncc(CNCc3cc4cc(Br)ccc4[nH]3)cn2)cn1 ZINC000373389340 565283321 /nfs/dbraw/zinc/28/33/21/565283321.db2.gz RCVKXERJHUCGFY-UHFFFAOYSA-N 0 1 397.280 3.411 20 0 GGADMN C[C@H](CC(=O)N(C)C)NCc1cc(Br)ccc1Br ZINC000186761244 565283477 /nfs/dbraw/zinc/28/34/77/565283477.db2.gz DDLVWERTRORHLA-SECBINFHSA-N 0 1 378.108 3.168 20 0 GGADMN CS(=O)(=O)Cc1ccccc1CNCc1cccc(Br)c1F ZINC000295748610 565284636 /nfs/dbraw/zinc/28/46/36/565284636.db2.gz PIROIHAMQYPGTB-UHFFFAOYSA-N 0 1 386.286 3.423 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1Br ZINC000186798816 565286638 /nfs/dbraw/zinc/28/66/38/565286638.db2.gz IBVKQOHCLDLING-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000373474816 565287956 /nfs/dbraw/zinc/28/79/56/565287956.db2.gz OHMHZPUQZPMESE-UHFFFAOYSA-N 0 1 379.482 3.361 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000161638156 565288859 /nfs/dbraw/zinc/28/88/59/565288859.db2.gz QKRCSNDCNFFJAC-UHFFFAOYSA-N 0 1 378.397 3.149 20 0 GGADMN CC(C)[C@H](O)CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272475093 565289463 /nfs/dbraw/zinc/28/94/63/565289463.db2.gz SELCEVPYSWTNLH-RTBURBONSA-N 0 1 381.925 3.439 20 0 GGADMN CSc1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000186843245 565289787 /nfs/dbraw/zinc/28/97/87/565289787.db2.gz CBTDNBNTXULPER-UHFFFAOYSA-N 0 1 376.547 3.351 20 0 GGADMN CCC[C@H](CCc1ccccc1)NS(=O)(=O)c1scnc1C(=O)OC ZINC000161653510 565289890 /nfs/dbraw/zinc/28/98/90/565289890.db2.gz RSALREYDDSAJAV-CQSZACIVSA-N 0 1 382.507 3.010 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCSC2(CCOCC2)C1 ZINC000186843877 565289938 /nfs/dbraw/zinc/28/99/38/565289938.db2.gz OPZDTLUPDZSVRG-HOTGVXAUSA-N 0 1 380.579 3.398 20 0 GGADMN COc1c(Br)cccc1CN(CCC(N)=O)Cc1ccccc1 ZINC000186856393 565290147 /nfs/dbraw/zinc/29/01/47/565290147.db2.gz HDFDNOVMGRIKBI-UHFFFAOYSA-N 0 1 377.282 3.335 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272522654 565290436 /nfs/dbraw/zinc/29/04/36/565290436.db2.gz PZUHCVAMZUGAKA-KEYYUXOJSA-N 0 1 393.325 3.211 20 0 GGADMN O=C(NCC1(c2ccccc2Br)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000161669218 565290491 /nfs/dbraw/zinc/29/04/91/565290491.db2.gz GYEPNGGLPPATFD-SFHVURJKSA-N 0 1 385.305 3.311 20 0 GGADMN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCSC2(CCOCC2)C1 ZINC000186851950 565290426 /nfs/dbraw/zinc/29/04/26/565290426.db2.gz WVNMRYPYOFFLPA-UHFFFAOYSA-N 0 1 386.920 3.036 20 0 GGADMN Cc1c([C@H](C)NCCCCCS(C)(=O)=O)nnn1-c1cccc(Cl)c1 ZINC000186864538 565291241 /nfs/dbraw/zinc/29/12/41/565291241.db2.gz ZQMVPNWQMLZEMQ-ZDUSSCGKSA-N 0 1 384.933 3.095 20 0 GGADMN COCCOC[C@H](O)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000295873710 565291275 /nfs/dbraw/zinc/29/12/75/565291275.db2.gz ZFYBEIKSCUOMSM-BLLLJJGKSA-N 0 1 384.929 3.446 20 0 GGADMN CN(CC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)[C@@H]1CCSC1 ZINC000161754209 565293388 /nfs/dbraw/zinc/29/33/88/565293388.db2.gz GSEIZTQUCWPEJK-VXGBXAGGSA-N 0 1 393.500 3.305 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000186899951 565293470 /nfs/dbraw/zinc/29/34/70/565293470.db2.gz QSWDGLXILUIIPA-LLVKDONJSA-N 0 1 378.822 3.276 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccncc1Br ZINC000272678031 565294149 /nfs/dbraw/zinc/29/41/49/565294149.db2.gz MRUUUQCKAIUHQQ-AWEZNQCLSA-N 0 1 379.258 3.396 20 0 GGADMN CC(C)(NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(Cl)c1F ZINC000186892640 565294438 /nfs/dbraw/zinc/29/44/38/565294438.db2.gz JFALRFGURXJRJX-MRXNPFEDSA-N 0 1 385.888 3.441 20 0 GGADMN CC[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(Cl)c1F ZINC000161821577 565294501 /nfs/dbraw/zinc/29/45/01/565294501.db2.gz STSSFIZGJBALDI-XJKSGUPXSA-N 0 1 392.924 3.008 20 0 GGADMN NC(=O)[C@@H](NCCc1nc2ccccc2s1)c1cccc(Br)c1 ZINC000161848611 565295094 /nfs/dbraw/zinc/29/50/94/565295094.db2.gz DZDNWBSZHCOIBO-INIZCTEOSA-N 0 1 390.306 3.418 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000186912247 565295147 /nfs/dbraw/zinc/29/51/47/565295147.db2.gz QRRINGYMJDYXQM-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Cl)ccc1Br ZINC000186934924 565296289 /nfs/dbraw/zinc/29/62/89/565296289.db2.gz NUQZZBJPLGDWDT-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c(Cl)c1 ZINC000161938651 565298659 /nfs/dbraw/zinc/29/86/59/565298659.db2.gz RREBTSYAOVXHTL-UHFFFAOYSA-N 0 1 387.910 3.036 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CN(C)CCc1cnccn1 ZINC000272857668 565299926 /nfs/dbraw/zinc/29/99/26/565299926.db2.gz UFCUXRKTBDVBFQ-UHFFFAOYSA-N 0 1 386.297 3.408 20 0 GGADMN CCn1cc([C@H](C)NCC(=O)N[C@@H](C)c2ccc(Br)cc2)cn1 ZINC000296051447 565300394 /nfs/dbraw/zinc/30/03/94/565300394.db2.gz NQZDWSNYPNVFGA-STQMWFEESA-N 0 1 379.302 3.194 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000161985690 565300650 /nfs/dbraw/zinc/30/06/50/565300650.db2.gz LGFNBMBLYOSMFS-CQSZACIVSA-N 0 1 380.491 3.140 20 0 GGADMN OC1CCN(CCN[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000296080388 565301444 /nfs/dbraw/zinc/30/14/44/565301444.db2.gz XGQCHVKVGRBXKP-SFHVURJKSA-N 0 1 379.298 3.178 20 0 GGADMN CCn1cc([C@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cn1 ZINC000296102907 565302628 /nfs/dbraw/zinc/30/26/28/565302628.db2.gz QCAQEPJBTQLAAK-UONOGXRCSA-N 0 1 393.329 3.363 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000187039361 565303515 /nfs/dbraw/zinc/30/35/15/565303515.db2.gz KAPMYVSOFPNIIV-UHFFFAOYSA-N 0 1 391.313 3.490 20 0 GGADMN CC(C)C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccccn1 ZINC000162080893 565304348 /nfs/dbraw/zinc/30/43/48/565304348.db2.gz DUTDJQITMVDMDT-SFHVURJKSA-N 0 1 381.929 3.390 20 0 GGADMN COc1ccc(Br)c(CC(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000162124053 565304770 /nfs/dbraw/zinc/30/47/70/565304770.db2.gz ZHRPIXSKVQNEPF-UHFFFAOYSA-N 0 1 377.198 3.017 20 0 GGADMN Brc1ccc(-c2nnc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)o2)o1 ZINC000296163440 565305173 /nfs/dbraw/zinc/30/51/73/565305173.db2.gz KQQLAEBWPUXIIK-FZZIBODNSA-N 0 1 380.242 3.139 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3ccc(Br)s3)no2)[C@@H]2CCO[C@H]21 ZINC000296170027 565305469 /nfs/dbraw/zinc/30/54/69/565305469.db2.gz KYEAUDFKQHUXMF-ZEGGKSINSA-N 0 1 384.299 3.464 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)c1Cl ZINC000296183935 565306617 /nfs/dbraw/zinc/30/66/17/565306617.db2.gz LUFUQVTWNGFSPI-NSHDSACASA-N 0 1 375.281 3.336 20 0 GGADMN C[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1nnnn1-c1ccccc1 ZINC000162136093 565306775 /nfs/dbraw/zinc/30/67/75/565306775.db2.gz NGAAHRUCUXSYQW-LLVKDONJSA-N 0 1 398.268 3.152 20 0 GGADMN O=C1O[C@H](CN[C@H](CO)c2ccc(Br)cc2)CN1c1ccccc1 ZINC000273083542 565306851 /nfs/dbraw/zinc/30/68/51/565306851.db2.gz HXRCIDQZGBTYOB-IAGOWNOFSA-N 0 1 391.265 3.098 20 0 GGADMN COc1ccc(O[C@@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000162175772 565307850 /nfs/dbraw/zinc/30/78/50/565307850.db2.gz KTNJUDZDDALIEI-SJCJKPOMSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1cccc(F)c1 ZINC000162171446 565307957 /nfs/dbraw/zinc/30/79/57/565307957.db2.gz YHHHVNLEZBCZBE-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN COc1cccc(O[C@@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162172216 565308166 /nfs/dbraw/zinc/30/81/66/565308166.db2.gz RRMOBQRCSMVQBA-YVEFUNNKSA-N 0 1 393.281 3.041 20 0 GGADMN Cc1cccc(O[C@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162169712 565308181 /nfs/dbraw/zinc/30/81/81/565308181.db2.gz YXLUHQFXNJMFSB-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN CCO[C@@H]1C[C@H](N[C@H](C(N)=O)c2cccc(Br)c2)C12CCCC2 ZINC000162195657 565308562 /nfs/dbraw/zinc/30/85/62/565308562.db2.gz QIXGWCNLGDTKFW-XHSDSOJGSA-N 0 1 381.314 3.303 20 0 GGADMN CN(Cc1cc(Br)cn1C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000187107371 565310278 /nfs/dbraw/zinc/31/02/78/565310278.db2.gz YMMFPMJZKQHXFG-UHFFFAOYSA-N 0 1 376.298 3.329 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000187130144 565310701 /nfs/dbraw/zinc/31/07/01/565310701.db2.gz XHCAPNFLWSWEFZ-LBPRGKRZSA-N 0 1 398.878 3.107 20 0 GGADMN CSc1ccccc1S(=O)(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000187114198 565310721 /nfs/dbraw/zinc/31/07/21/565310721.db2.gz FVQGVUGZJCXEEY-UHFFFAOYSA-N 0 1 378.519 3.042 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2C)s1 ZINC000187123017 565311447 /nfs/dbraw/zinc/31/14/47/565311447.db2.gz XCFMGKBYDBXQGQ-UHFFFAOYSA-N 0 1 397.591 3.418 20 0 GGADMN Cc1ncc(S(=O)(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)s1 ZINC000273236690 565312789 /nfs/dbraw/zinc/31/27/89/565312789.db2.gz SNFJTSZXLSQIAZ-ZDUSSCGKSA-N 0 1 376.507 3.205 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000273228890 565313290 /nfs/dbraw/zinc/31/32/90/565313290.db2.gz OGIYUVDQYAPAQO-UHFFFAOYSA-N 0 1 385.295 3.236 20 0 GGADMN COc1c(Br)cccc1CNC[C@H](O)COc1ccc(F)cc1 ZINC000187161166 565313358 /nfs/dbraw/zinc/31/33/58/565313358.db2.gz CNQOFQKARNCUSY-AWEZNQCLSA-N 0 1 384.245 3.126 20 0 GGADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296350332 565313502 /nfs/dbraw/zinc/31/35/02/565313502.db2.gz DUOSDIPEXFQBIV-ZDUSSCGKSA-N 0 1 379.251 3.056 20 0 GGADMN CCc1nc(CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)n[nH]1 ZINC000296351399 565313810 /nfs/dbraw/zinc/31/38/10/565313810.db2.gz ITALPQVRWMAWQI-UHFFFAOYSA-N 0 1 392.179 3.470 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCN(C)Cc1ccccc1 ZINC000187157646 565313871 /nfs/dbraw/zinc/31/38/71/565313871.db2.gz NVOHRNPTBWFPJF-UHFFFAOYSA-N 0 1 380.941 3.355 20 0 GGADMN COc1c(Br)cccc1CNC[C@@H](O)COc1ccc(F)cc1 ZINC000187161184 565314036 /nfs/dbraw/zinc/31/40/36/565314036.db2.gz CNQOFQKARNCUSY-CQSZACIVSA-N 0 1 384.245 3.126 20 0 GGADMN CCc1nc([C@@H](C)NCc2ncc(Br)cc2Br)n[nH]1 ZINC000273269269 565314256 /nfs/dbraw/zinc/31/42/56/565314256.db2.gz ZMQQHLGAFRDPBQ-SSDOTTSWSA-N 0 1 389.095 3.138 20 0 GGADMN C[C@@H](O)CC(C)(C)CNCc1ncc(Br)cc1Br ZINC000273250795 565314532 /nfs/dbraw/zinc/31/45/32/565314532.db2.gz WARMZWHVGIQQGQ-SECBINFHSA-N 0 1 380.124 3.493 20 0 GGADMN Cc1cc([C@H](NC[C@@]2(O)CCS(=O)(=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000296363624 565314966 /nfs/dbraw/zinc/31/49/66/565314966.db2.gz IVFCAHXRAHKVON-MSOLQXFVSA-N 0 1 399.965 3.247 20 0 GGADMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(n2cc(Br)cn2)CC1 ZINC000374010752 565315181 /nfs/dbraw/zinc/31/51/81/565315181.db2.gz RPXMMZAAKYANLA-QGZVFWFLSA-N 0 1 391.313 3.112 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1cccs1 ZINC000187188406 565315743 /nfs/dbraw/zinc/31/57/43/565315743.db2.gz CZOFVDLXPUUNFB-OAHLLOKOSA-N 0 1 375.885 3.015 20 0 GGADMN CNS(=O)(=O)CCN[C@@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000187195520 565316126 /nfs/dbraw/zinc/31/61/26/565316126.db2.gz PMDZXNFJBHUZEC-SFHVURJKSA-N 0 1 382.526 3.188 20 0 GGADMN CC1(C)CC[C@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)O1 ZINC000187207879 565316372 /nfs/dbraw/zinc/31/63/72/565316372.db2.gz IAZCBJLCYKVWHB-DZGCQCFKSA-N 0 1 396.329 3.452 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273297416 565316586 /nfs/dbraw/zinc/31/65/86/565316586.db2.gz AKYNPDGXUZVTFM-VXGBXAGGSA-N 0 1 385.511 3.095 20 0 GGADMN COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187221516 565317053 /nfs/dbraw/zinc/31/70/53/565317053.db2.gz KNQPQOFKOKUQIV-MGPLVRAMSA-N 0 1 399.260 3.385 20 0 GGADMN CCNC(=O)COc1cccc(CNCc2cccc(Br)c2F)c1 ZINC000296420743 565317210 /nfs/dbraw/zinc/31/72/10/565317210.db2.gz MOYZLLVOQYUWRA-UHFFFAOYSA-N 0 1 395.272 3.393 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(Br)s1 ZINC000162463138 565317704 /nfs/dbraw/zinc/31/77/04/565317704.db2.gz TWOIEJFFODCZNS-LLVKDONJSA-N 0 1 389.340 3.140 20 0 GGADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCNS(=O)(=O)c1ccccc1 ZINC000162487373 565318198 /nfs/dbraw/zinc/31/81/98/565318198.db2.gz RMYXKYJOWYWYRO-CYBMUJFWSA-N 0 1 381.567 3.378 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc(O)c(OC)c1 ZINC000187242230 565318296 /nfs/dbraw/zinc/31/82/96/565318296.db2.gz KTEOBRGNTAHQRP-UHFFFAOYSA-N 0 1 383.897 3.180 20 0 GGADMN CN(C)C(=O)COc1cccc(CNCc2cccc(Br)c2F)c1 ZINC000296454112 565318278 /nfs/dbraw/zinc/31/82/78/565318278.db2.gz OJBZEWLBOXXLTP-UHFFFAOYSA-N 0 1 395.272 3.345 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1Br ZINC000374100398 565319671 /nfs/dbraw/zinc/31/96/71/565319671.db2.gz SUIOBMJTJRBBDM-WVWOOGAGSA-N 0 1 384.318 3.136 20 0 GGADMN COC(=O)c1cccc2[nH]c(NC(=O)c3ccc(Br)c(O)c3)nc21 ZINC000162512996 565319701 /nfs/dbraw/zinc/31/97/01/565319701.db2.gz RNMNIBQLIILEJX-UHFFFAOYSA-N 0 1 390.193 3.070 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273469211 565322758 /nfs/dbraw/zinc/32/27/58/565322758.db2.gz FIWNMBPOTANGJS-QWHCGFSZSA-N 0 1 399.538 3.437 20 0 GGADMN C[C@@H](O)C[C@@H](CNCc1c(Cl)cccc1S(C)(=O)=O)c1ccccc1 ZINC000273466804 565322945 /nfs/dbraw/zinc/32/29/45/565322945.db2.gz NVCLUGFAEVRMJL-ZBFHGGJFSA-N 0 1 381.925 3.388 20 0 GGADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273469213 565323004 /nfs/dbraw/zinc/32/30/04/565323004.db2.gz FIWNMBPOTANGJS-STQMWFEESA-N 0 1 399.538 3.437 20 0 GGADMN CC[C@@H](NCC(=O)N[C@@H](C(=O)NC)c1ccccc1)c1ccc(Cl)s1 ZINC000273553299 565324958 /nfs/dbraw/zinc/32/49/58/565324958.db2.gz XTYONCLXODHUHW-CXAGYDPISA-N 0 1 379.913 3.046 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000374216918 565325080 /nfs/dbraw/zinc/32/50/80/565325080.db2.gz MFOIZFQMHLIRSI-UHFFFAOYSA-N 0 1 377.286 3.080 20 0 GGADMN Cn1c2cc(Br)ccc2nc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000296592466 565325423 /nfs/dbraw/zinc/32/54/23/565325423.db2.gz FRHTUEOPYRBTPY-CYBMUJFWSA-N 0 1 375.274 3.181 20 0 GGADMN COc1ccc(CN(CCCO)CC(OC)OC)cc1SC(F)(F)F ZINC000273599456 565327373 /nfs/dbraw/zinc/32/73/73/565327373.db2.gz LAKHMBWOCLSRQD-UHFFFAOYSA-N 0 1 383.432 3.110 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)c(C)c1F ZINC000296681920 565329504 /nfs/dbraw/zinc/32/95/04/565329504.db2.gz IJMYJYXDWCYJPL-UHFFFAOYSA-N 0 1 386.470 3.294 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)cc1C ZINC000296695553 565330119 /nfs/dbraw/zinc/33/01/19/565330119.db2.gz KFOPTMIKMAOBRQ-UHFFFAOYSA-N 0 1 382.507 3.463 20 0 GGADMN C[C@@H]1CSCCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187454311 565333446 /nfs/dbraw/zinc/33/34/46/565333446.db2.gz MAYGTDJZHUGTGD-IUODEOHRSA-N 0 1 375.460 3.455 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000187451286 565333813 /nfs/dbraw/zinc/33/38/13/565333813.db2.gz ZQLOYJXWORNBCZ-CABCVRRESA-N 0 1 375.460 3.455 20 0 GGADMN Cc1cn2c(n1)[C@H](CNC(=O)c1cc(Br)cc3nc[nH]c31)CCC2 ZINC000374377657 565334879 /nfs/dbraw/zinc/33/48/79/565334879.db2.gz MGOACYZQQJTMKZ-NSHDSACASA-N 0 1 388.269 3.138 20 0 GGADMN Cc1cc(Br)cc(NC(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000187482727 565336006 /nfs/dbraw/zinc/33/60/06/565336006.db2.gz OWDXIINKECQJBT-UHFFFAOYSA-N 0 1 382.302 3.086 20 0 GGADMN CCc1nc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)n[nH]1 ZINC000163117529 565336024 /nfs/dbraw/zinc/33/60/24/565336024.db2.gz VXTQICZTOVKHOL-SECBINFHSA-N 0 1 377.246 3.030 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000374391827 565336245 /nfs/dbraw/zinc/33/62/45/565336245.db2.gz JTEZPPULQPTNHD-KBPBESRZSA-N 0 1 390.281 3.338 20 0 GGADMN COc1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)c(Br)c1O ZINC000273797341 565336894 /nfs/dbraw/zinc/33/68/94/565336894.db2.gz WKEZNEASMHOWNW-CYBMUJFWSA-N 0 1 386.286 3.138 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000187506206 565337241 /nfs/dbraw/zinc/33/72/41/565337241.db2.gz RVJOHSNHVCHSDN-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN Cc1cc(Br)cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000187507095 565337318 /nfs/dbraw/zinc/33/73/18/565337318.db2.gz NATBRKDYKSZPOH-OAHLLOKOSA-N 0 1 396.329 3.334 20 0 GGADMN Brc1cccc(Cc2noc(CN3CC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000374397455 565337612 /nfs/dbraw/zinc/33/76/12/565337612.db2.gz CITAFNPMHDRYMO-HUUCEWRRSA-N 0 1 392.297 3.281 20 0 GGADMN Brc1csc(-c2noc(CN3CC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000374400703 565338023 /nfs/dbraw/zinc/33/80/23/565338023.db2.gz BFURECUTPNFYJF-MNOVXSKESA-N 0 1 384.299 3.419 20 0 GGADMN Brc1ccc(-c2noc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2)s1 ZINC000374414221 565338085 /nfs/dbraw/zinc/33/80/85/565338085.db2.gz ZIZRQNNBFTVUKD-WDEREUQCSA-N 0 1 384.299 3.419 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(Br)c(C)cc2C)CCN1C[C@@H](C)O ZINC000187528834 565338132 /nfs/dbraw/zinc/33/81/32/565338132.db2.gz KKNFXEQFAAMAGC-HUUCEWRRSA-N 0 1 398.345 3.375 20 0 GGADMN C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1cc(Br)ncc1F ZINC000273845701 565339820 /nfs/dbraw/zinc/33/98/20/565339820.db2.gz ITEYIPGQPQQPPR-RBOXIYTFSA-N 0 1 383.261 3.118 20 0 GGADMN C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Br)ncc1F ZINC000273845683 565340327 /nfs/dbraw/zinc/34/03/27/565340327.db2.gz ITEYIPGQPQQPPR-DETPVDSQSA-N 0 1 383.261 3.118 20 0 GGADMN O=C(CCCN(CCO)Cc1cccnc1)c1ccc(Br)cc1 ZINC000296835833 565340292 /nfs/dbraw/zinc/34/02/92/565340292.db2.gz SJPBFNLMWFUQDR-UHFFFAOYSA-N 0 1 377.282 3.302 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2ccc(Cl)c(F)c2)cc1F ZINC000187558918 565340647 /nfs/dbraw/zinc/34/06/47/565340647.db2.gz OUYQKKZIJDZUJU-UHFFFAOYSA-N 0 1 386.851 3.448 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2ccc(F)c(Cl)c2)cc1F ZINC000187558670 565340841 /nfs/dbraw/zinc/34/08/41/565340841.db2.gz OHKUILJSMXVNHW-UHFFFAOYSA-N 0 1 386.851 3.448 20 0 GGADMN COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cc(Br)ncc2F)c1 ZINC000273863968 565340977 /nfs/dbraw/zinc/34/09/77/565340977.db2.gz MVSXYTWVCSZPSZ-MEBBXXQBSA-N 0 1 399.260 3.385 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC2(CCO2)CC1 ZINC000374469189 565341267 /nfs/dbraw/zinc/34/12/67/565341267.db2.gz WILJZSGSJDSDHW-UHFFFAOYSA-N 0 1 376.254 3.234 20 0 GGADMN CCOc1c(Br)cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1OC ZINC000374459998 565341573 /nfs/dbraw/zinc/34/15/73/565341573.db2.gz KGWQTGJZWPVFNY-CYBMUJFWSA-N 0 1 394.269 3.387 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000296869240 565341913 /nfs/dbraw/zinc/34/19/13/565341913.db2.gz LNNLSLMBDSNILT-GYOIFBIXSA-N 0 1 383.275 3.285 20 0 GGADMN COc1cccc(C(=O)NCCN[C@H](C)c2cc(Br)ncc2F)c1 ZINC000273910149 565344663 /nfs/dbraw/zinc/34/46/63/565344663.db2.gz XKJAONSMDCNWLY-LLVKDONJSA-N 0 1 396.260 3.072 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C(N)=O)cc3F)s2)cs1 ZINC000163889201 565352215 /nfs/dbraw/zinc/35/22/15/565352215.db2.gz BCVMSJMEJGRHHJ-UHFFFAOYSA-N 0 1 397.478 3.219 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C[C@H](C)O1 ZINC000187756722 565352473 /nfs/dbraw/zinc/35/24/73/565352473.db2.gz FWBVELAZIVTMLG-RYUDHWBXSA-N 0 1 382.917 3.021 20 0 GGADMN CCCNC(=O)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000187785482 565354646 /nfs/dbraw/zinc/35/46/46/565354646.db2.gz BIOLFGJIULWKJR-UHFFFAOYSA-N 0 1 380.901 3.170 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccsc2Cl)N(C)C)cc1 ZINC000187775621 565354857 /nfs/dbraw/zinc/35/48/57/565354857.db2.gz OGWSAUARUHPRSZ-OAHLLOKOSA-N 0 1 379.913 3.322 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cncs1 ZINC000164003349 565354977 /nfs/dbraw/zinc/35/49/77/565354977.db2.gz LOJVWIOHBAFUAC-CABCVRRESA-N 0 1 379.551 3.415 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)CCc3cc(Cl)cc(Cl)c3)CCO2)n[nH]1 ZINC000164081499 565356223 /nfs/dbraw/zinc/35/62/23/565356223.db2.gz XITROGSSCCIBHQ-AWEZNQCLSA-N 0 1 383.279 3.207 20 0 GGADMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(Br)c(Br)c1 ZINC000187830736 565358311 /nfs/dbraw/zinc/35/83/11/565358311.db2.gz BVZUCEPKSKUJIS-XLFHBGCDSA-N 0 1 383.149 3.410 20 0 GGADMN CC[C@H](NCC(=O)Nc1nc(CC(=O)OC)cs1)c1ccc(Cl)s1 ZINC000274164090 565359868 /nfs/dbraw/zinc/35/98/68/565359868.db2.gz LKXCOBGJFPPKKC-JTQLQIEISA-N 0 1 387.914 3.253 20 0 GGADMN CCc1nc(CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000297165583 565360262 /nfs/dbraw/zinc/36/02/62/565360262.db2.gz AJTPSHBACJEBGI-UHFFFAOYSA-N 0 1 379.917 3.487 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)CCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000164598439 565361290 /nfs/dbraw/zinc/36/12/90/565361290.db2.gz OUUAQRQFCWOTNJ-SFHVURJKSA-N 0 1 384.351 3.164 20 0 GGADMN C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc(Cl)c(Br)c3)C2)C1 ZINC000297214927 565362257 /nfs/dbraw/zinc/36/22/57/565362257.db2.gz PFFUYPHOPNJPEW-HNNXBMFYSA-N 0 1 387.709 3.447 20 0 GGADMN CC(C)c1nc(CNC(=O)NCC2(c3ccccc3Br)CC2)n[nH]1 ZINC000297230615 565362996 /nfs/dbraw/zinc/36/29/96/565362996.db2.gz MIFSWZAOTRUIJR-UHFFFAOYSA-N 0 1 392.301 3.222 20 0 GGADMN Cc1cc(N2CCC[C@H](NCc3cncs3)C2=O)ccc1Br ZINC000164792988 565362957 /nfs/dbraw/zinc/36/29/57/565362957.db2.gz NHRFLICVMODEOZ-HNNXBMFYSA-N 0 1 380.311 3.499 20 0 GGADMN Cc1coc(-c2cc(NS(=O)(=O)c3cc(Cl)cnc3N)ccc2C)n1 ZINC000164812499 565363845 /nfs/dbraw/zinc/36/38/45/565363845.db2.gz XFXKULRRFJYEGP-UHFFFAOYSA-N 0 1 378.841 3.390 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H]2CCCS2)CC1 ZINC000164938916 565365558 /nfs/dbraw/zinc/36/55/58/565365558.db2.gz JVFMRMLNWRZYRS-HNNXBMFYSA-N 0 1 382.961 3.499 20 0 GGADMN Brc1ccc2c(c1)C=C(CN1CCOC3(CCOCC3)CC1)CO2 ZINC000375079368 565367102 /nfs/dbraw/zinc/36/71/02/565367102.db2.gz OFVVWXMVXFGUDC-UHFFFAOYSA-N 0 1 394.309 3.496 20 0 GGADMN CC[C@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000165154172 565367812 /nfs/dbraw/zinc/36/78/12/565367812.db2.gz KRUNYWNMCLECRE-FZMZJTMJSA-N 0 1 376.831 3.229 20 0 GGADMN CC[C@@H](N[C@@H]1CCSc2ccc(Br)cc21)C(=O)N1CCOCC1 ZINC000165124268 565368061 /nfs/dbraw/zinc/36/80/61/565368061.db2.gz RVGZWAOWYHWRFD-HUUCEWRRSA-N 0 1 399.354 3.213 20 0 GGADMN CC[C@@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000165154515 565368157 /nfs/dbraw/zinc/36/81/57/565368157.db2.gz KRUNYWNMCLECRE-BXUZGUMPSA-N 0 1 376.831 3.229 20 0 GGADMN O=C(NCCOCc1ccc(Cl)cc1Cl)NCc1n[nH]c(C2CC2)n1 ZINC000297343469 565368751 /nfs/dbraw/zinc/36/87/51/565368751.db2.gz OJRRQCZZNOMDHI-UHFFFAOYSA-N 0 1 384.267 3.005 20 0 GGADMN CCc1ncsc1NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274365141 565368911 /nfs/dbraw/zinc/36/89/11/565368911.db2.gz YAODESPLUUIBSX-NSHDSACASA-N 0 1 386.470 3.061 20 0 GGADMN CCc1ncsc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274365138 565368931 /nfs/dbraw/zinc/36/89/31/565368931.db2.gz YAODESPLUUIBSX-LLVKDONJSA-N 0 1 386.470 3.061 20 0 GGADMN CC(=O)OCCCc1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000274503791 565372389 /nfs/dbraw/zinc/37/23/89/565372389.db2.gz MCTNGMFOSQOGIV-UHFFFAOYSA-N 0 1 383.520 3.053 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(F)cc(Cl)c2O)no1 ZINC000274713595 565378037 /nfs/dbraw/zinc/37/80/37/565378037.db2.gz QYYOYZXDTBIXHG-MRVPVSSYSA-N 0 1 387.820 3.180 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C ZINC000188117100 565380253 /nfs/dbraw/zinc/38/02/53/565380253.db2.gz GJZBYLVTOBGJEK-GUYCJALGSA-N 0 1 392.297 3.266 20 0 GGADMN Cc1n[nH]cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000188112959 565380367 /nfs/dbraw/zinc/38/03/67/565380367.db2.gz KJDWBYYODHJXGI-ZDUSSCGKSA-N 0 1 385.873 3.120 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000168190171 565380388 /nfs/dbraw/zinc/38/03/88/565380388.db2.gz BBAFJYJIHOYKHZ-UHFFFAOYSA-N 0 1 375.475 3.176 20 0 GGADMN COC(=O)[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000188120348 565380618 /nfs/dbraw/zinc/38/06/18/565380618.db2.gz ZZPOYNVXZSFZRE-WBMJQRKESA-N 0 1 380.282 3.356 20 0 GGADMN COc1c(Br)cc(Br)cc1CN[C@@H](C)C[S@@](C)=O ZINC000168148557 565380612 /nfs/dbraw/zinc/38/06/12/565380612.db2.gz NJKAOHXQMUKZPV-ASCAZGACSA-N 0 1 399.148 3.077 20 0 GGADMN CC(C)c1nc(CNC(=O)N(C)CCc2ccc(Br)cc2)n[nH]1 ZINC000297642544 565380729 /nfs/dbraw/zinc/38/07/29/565380729.db2.gz BVXULEMOOFMTPM-UHFFFAOYSA-N 0 1 380.290 3.075 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CCc3c(F)ccc(Br)c3C2)n[nH]1 ZINC000297642539 565381212 /nfs/dbraw/zinc/38/12/12/565381212.db2.gz BVSKYERUACKHSB-UHFFFAOYSA-N 0 1 396.264 3.098 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000375334895 565381821 /nfs/dbraw/zinc/38/18/21/565381821.db2.gz JLYCRSCQBKJLLI-UHFFFAOYSA-N 0 1 381.263 3.370 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](O)CCc1ccccc1 ZINC000274793112 565382003 /nfs/dbraw/zinc/38/20/03/565382003.db2.gz MVZSZCBILRUXRE-KRWDZBQOSA-N 0 1 381.925 3.217 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)sc1Cl ZINC000188143255 565382888 /nfs/dbraw/zinc/38/28/88/565382888.db2.gz LDLHJCQWYXGHGE-LLVKDONJSA-N 0 1 386.930 3.274 20 0 GGADMN Brc1cccc(OCCSCCN[C@H]2CCn3ccnc32)c1 ZINC000297731345 565384023 /nfs/dbraw/zinc/38/40/23/565384023.db2.gz NPQRFRUSOHZVJC-HNNXBMFYSA-N 0 1 382.327 3.492 20 0 GGADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000170635432 565384154 /nfs/dbraw/zinc/38/41/54/565384154.db2.gz UADDVIICSBDVDX-UHFFFAOYSA-N 0 1 380.853 3.289 20 0 GGADMN Brc1cnc(CN[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000274878922 565384459 /nfs/dbraw/zinc/38/44/59/565384459.db2.gz YNKWVMLALQTMBN-NSHDSACASA-N 0 1 386.091 3.497 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000170647516 565384585 /nfs/dbraw/zinc/38/45/85/565384585.db2.gz UORLNXSSWLXHEB-CJNGLKHVSA-N 0 1 399.329 3.329 20 0 GGADMN CSc1ccsc1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188169600 565384658 /nfs/dbraw/zinc/38/46/58/565384658.db2.gz FUODVGZGKIWBCE-LJQANCHMSA-N 0 1 376.547 3.179 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000170643614 565384814 /nfs/dbraw/zinc/38/48/14/565384814.db2.gz ASEAZTOZPDNLHS-UHFFFAOYSA-N 0 1 382.302 3.042 20 0 GGADMN C[C@H](NC(=O)N1CCOC[C@@H]1c1nnc[nH]1)c1cc(F)c(Cl)cc1Cl ZINC000297818508 565387857 /nfs/dbraw/zinc/38/78/57/565387857.db2.gz NKNBSNMRWJNASY-ISVAXAHUSA-N 0 1 388.230 3.095 20 0 GGADMN COc1cc(OC)c(NC(=O)NCc2n[nH]c(C(C)C)n2)cc1Br ZINC000297877509 565390219 /nfs/dbraw/zinc/39/02/19/565390219.db2.gz QRKYQLCVTLZRCL-UHFFFAOYSA-N 0 1 398.261 3.030 20 0 GGADMN Clc1ccc(Cc2nnc(N3CCN(C4CCOCC4)CC3)s2)cc1 ZINC000275040440 565390251 /nfs/dbraw/zinc/39/02/51/565390251.db2.gz MIQIZAJWJPUONF-UHFFFAOYSA-N 0 1 378.929 3.083 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(Br)cn2)N2CCCC2)o1 ZINC000170762763 565392548 /nfs/dbraw/zinc/39/25/48/565392548.db2.gz HTKKVMMLFJJXPF-HNNXBMFYSA-N 0 1 378.270 3.312 20 0 GGADMN CC(C)(C)c1n[nH]c(SCc2nnnn2-c2ccccc2Br)n1 ZINC000170783320 565393655 /nfs/dbraw/zinc/39/36/55/565393655.db2.gz MRQDHEDWJCVICD-UHFFFAOYSA-N 0 1 394.302 3.133 20 0 GGADMN CCC[C@H](CNC(=O)CN(C)CCC(=O)NC)c1ccc(Cl)cc1Cl ZINC000170820761 565394899 /nfs/dbraw/zinc/39/48/99/565394899.db2.gz CTPUZDUQTYLRAY-CYBMUJFWSA-N 0 1 388.339 3.061 20 0 GGADMN CC[C@H](NC(=O)NCc1n[nH]c(C(C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000298033105 565396271 /nfs/dbraw/zinc/39/62/71/565396271.db2.gz SPGOEYUEGUIUDP-QMMMGPOBSA-N 0 1 376.408 3.354 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Br)c(OC)cc2OC)n[nH]1 ZINC000275197538 565396914 /nfs/dbraw/zinc/39/69/14/565396914.db2.gz FIVCOPPKEIOGEM-MRVPVSSYSA-N 0 1 398.261 3.030 20 0 GGADMN CO[C@H]1CCCC[C@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000275205039 565397237 /nfs/dbraw/zinc/39/72/37/565397237.db2.gz IPPGAKGZGJKUMW-SJORKVTESA-N 0 1 380.535 3.261 20 0 GGADMN OCC[C@@H]1CCC[C@H]1NCc1ncc(Br)cc1Br ZINC000275233102 565397831 /nfs/dbraw/zinc/39/78/31/565397831.db2.gz JSUIARCVPUXUAG-JOYOIKCWSA-N 0 1 378.108 3.247 20 0 GGADMN CC(C)c1nc(CNC(=O)NC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000298060793 565398450 /nfs/dbraw/zinc/39/84/50/565398450.db2.gz JRNMJXLDHSTEDO-UHFFFAOYSA-N 0 1 378.274 3.179 20 0 GGADMN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN[C@H](C)C1 ZINC000188382077 565399156 /nfs/dbraw/zinc/39/91/56/565399156.db2.gz XNNCECCDVPBXSS-OLZOCXBDSA-N 0 1 379.913 3.437 20 0 GGADMN Cc1cc(I)ccc1NC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000275252866 565399275 /nfs/dbraw/zinc/39/92/75/565399275.db2.gz GTMBXPBTRWOUFY-SNVBAGLBSA-N 0 1 397.216 3.079 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cncc(Br)c3)C1)CCCC2 ZINC000275272036 565400289 /nfs/dbraw/zinc/40/02/89/565400289.db2.gz JMANIBMLQCKGAG-HNNXBMFYSA-N 0 1 389.297 3.315 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000298138050 565400804 /nfs/dbraw/zinc/40/08/04/565400804.db2.gz ZBZFVCYHOIEWSD-MQMHXKEQSA-N 0 1 392.301 3.436 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)NCc1ccc(Cl)s1 ZINC000170970922 565400979 /nfs/dbraw/zinc/40/09/79/565400979.db2.gz UMLWXATYRXTAAO-UHFFFAOYSA-N 0 1 382.888 3.452 20 0 GGADMN Cc1ncc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000170950356 565401026 /nfs/dbraw/zinc/40/10/26/565401026.db2.gz HOGABNNPCIMVJL-UHFFFAOYSA-N 0 1 378.929 3.047 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccccc1Br)[C@H](CO)c1ccccc1 ZINC000298177462 565403247 /nfs/dbraw/zinc/40/32/47/565403247.db2.gz RHZSONLYBSHGLW-QGZVFWFLSA-N 0 1 377.282 3.443 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2O)cc1Br ZINC000188466900 565403503 /nfs/dbraw/zinc/40/35/03/565403503.db2.gz RLELVKQHSWMNLV-UHFFFAOYSA-N 0 1 399.266 3.222 20 0 GGADMN C[C@]1(CNCc2ncc(I)s2)CCO[C@H]1C1CC1 ZINC000375769096 565404907 /nfs/dbraw/zinc/40/49/07/565404907.db2.gz PJHKMFGDMMJKRY-QWHCGFSZSA-N 0 1 378.279 3.043 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CCc3c(Br)ccc(F)c3C2)n[nH]1 ZINC000298233119 565405363 /nfs/dbraw/zinc/40/53/63/565405363.db2.gz WVQSBYVALRTAQN-UHFFFAOYSA-N 0 1 396.264 3.098 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)c2ccccc2I)CC1 ZINC000375833949 565408184 /nfs/dbraw/zinc/40/81/84/565408184.db2.gz JVFKUOLMPUDOBK-UHFFFAOYSA-N 0 1 395.244 3.343 20 0 GGADMN O=S(=O)(Cc1ccccc1F)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000171095139 565408966 /nfs/dbraw/zinc/40/89/66/565408966.db2.gz SAHRMXGISIDGKT-HNNXBMFYSA-N 0 1 382.526 3.219 20 0 GGADMN CC(C)[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000298375660 565411330 /nfs/dbraw/zinc/41/13/30/565411330.db2.gz GBQITAKMWVEPAA-LBPRGKRZSA-N 0 1 382.507 3.371 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000298392813 565411831 /nfs/dbraw/zinc/41/18/31/565411831.db2.gz LBVDAXWCVVRTCH-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN O=C(Nc1cccc(Br)n1)NC1CCN(Cc2ccncc2)CC1 ZINC000188589802 565412034 /nfs/dbraw/zinc/41/20/34/565412034.db2.gz VIRKOUWXUZMJBR-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCCc2[nH]cnc21 ZINC000375912565 565412799 /nfs/dbraw/zinc/41/27/99/565412799.db2.gz PVEGYHCYMYOQRB-UKRRQHHQSA-N 0 1 375.270 3.255 20 0 GGADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCCc2[nH]cnc21 ZINC000375912563 565412901 /nfs/dbraw/zinc/41/29/01/565412901.db2.gz PVEGYHCYMYOQRB-DZGCQCFKSA-N 0 1 375.270 3.255 20 0 GGADMN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000171150622 565413122 /nfs/dbraw/zinc/41/31/22/565413122.db2.gz NXHUYBBNPMAICM-UHFFFAOYSA-N 0 1 375.475 3.037 20 0 GGADMN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298409844 565413252 /nfs/dbraw/zinc/41/32/52/565413252.db2.gz KOEKQSRXGBHUNV-UHFFFAOYSA-N 0 1 377.861 3.119 20 0 GGADMN Cc1c(Br)cccc1NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000171154195 565413950 /nfs/dbraw/zinc/41/39/50/565413950.db2.gz REGHIGAQNYYTMJ-BETUJISGSA-N 0 1 384.318 3.378 20 0 GGADMN Cc1c(Br)cccc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000171154199 565413988 /nfs/dbraw/zinc/41/39/88/565413988.db2.gz REGHIGAQNYYTMJ-CHWSQXEVSA-N 0 1 384.318 3.378 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)CCN1CC(C)(C)O ZINC000188620761 565414530 /nfs/dbraw/zinc/41/45/30/565414530.db2.gz SAIPNEMCRZQKMF-LLVKDONJSA-N 0 1 389.721 3.020 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 ZINC000375953732 565415174 /nfs/dbraw/zinc/41/51/74/565415174.db2.gz KUWYZKLKBMYSAO-UHFFFAOYSA-N 0 1 396.260 3.405 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Br)cn1 ZINC000171184686 565415440 /nfs/dbraw/zinc/41/54/40/565415440.db2.gz CANMDOBIRGJWSH-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CCN1CC(C)(C)O ZINC000188668145 565416236 /nfs/dbraw/zinc/41/62/36/565416236.db2.gz YEUKDBRLNKLPCF-CQSZACIVSA-N 0 1 380.579 3.082 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2ccc(Cl)cc2F)cc1F ZINC000275549772 565418401 /nfs/dbraw/zinc/41/84/01/565418401.db2.gz BPPVFWNVIKCSOU-UHFFFAOYSA-N 0 1 386.851 3.448 20 0 GGADMN Brc1ccc(CNc2ccc3nn[nH]c3c2)c(N2CCOCC2)c1 ZINC000188753982 565421701 /nfs/dbraw/zinc/42/17/01/565421701.db2.gz GBPHUPUQXTXTOY-UHFFFAOYSA-N 0 1 388.269 3.169 20 0 GGADMN Brc1ccc(CNc2ccc3n[nH]nc3c2)c(N2CCOCC2)c1 ZINC000188753982 565421707 /nfs/dbraw/zinc/42/17/07/565421707.db2.gz GBPHUPUQXTXTOY-UHFFFAOYSA-N 0 1 388.269 3.169 20 0 GGADMN CCOc1cc(CNCCS(=O)(=O)Cc2ccccc2)cc(Cl)c1O ZINC000298598019 565422531 /nfs/dbraw/zinc/42/25/31/565422531.db2.gz YZKNCPOFROUZKI-UHFFFAOYSA-N 0 1 383.897 3.149 20 0 GGADMN COc1ccc([C@@H](NC(=O)CN(C)C)c2ccccc2)cc1Br ZINC000171255740 565422621 /nfs/dbraw/zinc/42/26/21/565422621.db2.gz GPIJVDDEDDSTGH-SFHVURJKSA-N 0 1 377.282 3.225 20 0 GGADMN CN1CCCN(c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1 ZINC000298688631 565425051 /nfs/dbraw/zinc/42/50/51/565425051.db2.gz FFOTZVASPARHQJ-UHFFFAOYSA-N 0 1 387.698 3.335 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCS[C@H](C)C2)CC1 ZINC000171361422 565428177 /nfs/dbraw/zinc/42/81/77/565428177.db2.gz WXFBTRCZIUBSOL-CQSZACIVSA-N 0 1 382.961 3.451 20 0 GGADMN O=C(Nc1nncs1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000171384973 565429053 /nfs/dbraw/zinc/42/90/53/565429053.db2.gz GTRROENEWPAPGH-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Br)cn1 ZINC000171385663 565429441 /nfs/dbraw/zinc/42/94/41/565429441.db2.gz HQTVIBPJHUMRNG-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CSc2nncs2)CC1 ZINC000298819963 565429499 /nfs/dbraw/zinc/42/94/99/565429499.db2.gz NNZOXYAIZNLYEU-UHFFFAOYSA-N 0 1 397.957 3.064 20 0 GGADMN Cc1ncsc1CCC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000298818504 565429922 /nfs/dbraw/zinc/42/99/22/565429922.db2.gz AVXVXLWBNAWAOA-QGZVFWFLSA-N 0 1 375.563 3.118 20 0 GGADMN Cc1ccc(Br)nc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000188900902 565430987 /nfs/dbraw/zinc/43/09/87/565430987.db2.gz XXEHIDVXRSNWGW-LBPRGKRZSA-N 0 1 390.285 3.168 20 0 GGADMN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1ccn[nH]1 ZINC000188907698 565431833 /nfs/dbraw/zinc/43/18/33/565431833.db2.gz MEDHHJMDRPZPGS-ZDUSSCGKSA-N 0 1 394.269 3.002 20 0 GGADMN Cc1cc(N2CCC(N[C@H](C)c3ncc(Br)cc3F)CC2)n[nH]1 ZINC000275981347 565432605 /nfs/dbraw/zinc/43/26/05/565432605.db2.gz YGKFZJHTVDJYMD-LLVKDONJSA-N 0 1 382.281 3.334 20 0 GGADMN O=C(Cc1ccccc1Br)NC1CCN(Cc2ccncc2)CC1 ZINC000171448335 565432700 /nfs/dbraw/zinc/43/27/00/565432700.db2.gz DIOSCHKQHYWOQE-UHFFFAOYSA-N 0 1 388.309 3.167 20 0 GGADMN CC(C)N(C)CC(=O)Nc1nc2ccc(I)cc2s1 ZINC000188945085 565433943 /nfs/dbraw/zinc/43/39/43/565433943.db2.gz BNDRZIUHNQLAFY-UHFFFAOYSA-N 0 1 389.262 3.180 20 0 GGADMN CCOC(CCNCc1c(Br)cc(OC)cc1OC)OCC ZINC000276083741 565434761 /nfs/dbraw/zinc/43/47/61/565434761.db2.gz GUGVNWDCRIRMJL-UHFFFAOYSA-N 0 1 376.291 3.345 20 0 GGADMN O=C(c1[nH]nc2c1CNCC2)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000188966775 565435033 /nfs/dbraw/zinc/43/50/33/565435033.db2.gz CTCXTBBVSXYGHH-UHFFFAOYSA-N 0 1 376.913 3.106 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188976092 565436188 /nfs/dbraw/zinc/43/61/88/565436188.db2.gz MTISXBWRPRDFMH-AWEZNQCLSA-N 0 1 381.249 3.297 20 0 GGADMN CC(C)N(Cc1cccc(Br)c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000376439063 565436580 /nfs/dbraw/zinc/43/65/80/565436580.db2.gz AMPCPTGXMLVNEN-GOSISDBHSA-N 0 1 395.341 3.439 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccc(C)cc2)cc1OC ZINC000188971076 565436738 /nfs/dbraw/zinc/43/67/38/565436738.db2.gz YPSYFBUIWVODKG-MRXNPFEDSA-N 0 1 394.309 3.468 20 0 GGADMN C[N@@H+](CCNC(=O)CCc1ncc(-c2ccccc2Br)o1)C1CC1 ZINC000299221504 565443691 /nfs/dbraw/zinc/44/36/91/565443691.db2.gz XTPWLDLXIKFUIE-UHFFFAOYSA-N 0 1 392.297 3.247 20 0 GGADMN CCC[N@@H+](CCc1cccs1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000299216960 565444127 /nfs/dbraw/zinc/44/41/27/565444127.db2.gz HIRCAOINNLHQDJ-IBGZPJMESA-N 0 1 381.563 3.314 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000171699152 565445960 /nfs/dbraw/zinc/44/59/60/565445960.db2.gz GORITLPCMBGFSS-NEPJUHHUSA-N 0 1 391.318 3.129 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000299272547 565446382 /nfs/dbraw/zinc/44/63/82/565446382.db2.gz OUDGXRAAGBZADO-UHFFFAOYSA-N 0 1 385.320 3.132 20 0 GGADMN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000171750935 565447805 /nfs/dbraw/zinc/44/78/05/565447805.db2.gz CNDBBBLCCQZVIF-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189155955 565448046 /nfs/dbraw/zinc/44/80/46/565448046.db2.gz IUJSGTLGAMPREX-SFHVURJKSA-N 0 1 395.341 3.299 20 0 GGADMN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000171750357 565448127 /nfs/dbraw/zinc/44/81/27/565448127.db2.gz FWIWUNQEADSMFX-CQSZACIVSA-N 0 1 387.355 3.161 20 0 GGADMN C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000299374264 565448275 /nfs/dbraw/zinc/44/82/75/565448275.db2.gz JYEMJGJPYWVQDS-GFCCVEGCSA-N 0 1 380.432 3.002 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000276413324 565448803 /nfs/dbraw/zinc/44/88/03/565448803.db2.gz DYDPEINETBLVSK-UHFFFAOYSA-N 0 1 379.469 3.333 20 0 GGADMN CCSc1ccccc1[C@@H](C)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000189161331 565449141 /nfs/dbraw/zinc/44/91/41/565449141.db2.gz DSNKAABNPXBOHE-OAHLLOKOSA-N 0 1 379.547 3.415 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Br)c1 ZINC000189164778 565449435 /nfs/dbraw/zinc/44/94/35/565449435.db2.gz IDUSONVAHXZNFP-CYBMUJFWSA-N 0 1 398.322 3.066 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 ZINC000171789123 565450287 /nfs/dbraw/zinc/45/02/87/565450287.db2.gz OINZGMOKCUPDJO-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Br)cc1 ZINC000189179372 565450680 /nfs/dbraw/zinc/45/06/80/565450680.db2.gz IRYGAESTYDAQEK-CYBMUJFWSA-N 0 1 398.322 3.066 20 0 GGADMN OC1(C(F)(F)F)CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000299492451 565453400 /nfs/dbraw/zinc/45/34/00/565453400.db2.gz AVNJRNPVXJTHRX-UHFFFAOYSA-N 0 1 375.778 3.322 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000189239995 565453785 /nfs/dbraw/zinc/45/37/85/565453785.db2.gz ZUUNSGUMYOMGGT-SECBINFHSA-N 0 1 379.454 3.381 20 0 GGADMN CSc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 ZINC000171834602 565454245 /nfs/dbraw/zinc/45/42/45/565454245.db2.gz QJQYDJOMEDNQPQ-UHFFFAOYSA-N 0 1 396.500 3.197 20 0 GGADMN C[C@H](O)CN1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000189291336 565456526 /nfs/dbraw/zinc/45/65/26/565456526.db2.gz NQSNCSJXHGUTSL-ZDUSSCGKSA-N 0 1 396.354 3.071 20 0 GGADMN O=C(CSc1ccc(Cl)nn1)Nc1cccc(CN2CCSCC2)c1 ZINC000299628853 565457021 /nfs/dbraw/zinc/45/70/21/565457021.db2.gz KTDOSXFOYJFMDS-UHFFFAOYSA-N 0 1 394.953 3.410 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CCn1cc(Cl)cn1 ZINC000299646723 565457581 /nfs/dbraw/zinc/45/75/81/565457581.db2.gz IYQSBBVWCPNONQ-UHFFFAOYSA-N 0 1 378.929 3.423 20 0 GGADMN Fc1cc(Br)cc(OCCN2CCCN(CC(F)F)CC2)c1 ZINC000189304865 565458188 /nfs/dbraw/zinc/45/81/88/565458188.db2.gz DURFHEGAJWNUFN-UHFFFAOYSA-N 0 1 381.236 3.240 20 0 GGADMN COc1ccc(CCC(=O)NCCCc2cn[nH]c2C)cc1Br ZINC000299694708 565459380 /nfs/dbraw/zinc/45/93/80/565459380.db2.gz VSNXVYSSSVMXFD-UHFFFAOYSA-N 0 1 380.286 3.171 20 0 GGADMN COc1ccc(NC(=O)CCN2CCC(O)(C(F)(F)F)CC2)cc1Cl ZINC000299731548 565460699 /nfs/dbraw/zinc/46/06/99/565460699.db2.gz XFRDWLXVFNBGKH-UHFFFAOYSA-N 0 1 380.794 3.066 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2nnc(CC(F)(F)F)s2)n[nH]1 ZINC000276793718 565460859 /nfs/dbraw/zinc/46/08/59/565460859.db2.gz FQGAPFORFNYRDS-NKWVEPMBSA-N 0 1 377.396 3.157 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000276787551 565460894 /nfs/dbraw/zinc/46/08/94/565460894.db2.gz BDBZRPQDGLNVFN-RKDXNWHRSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)ccnc2Cl)n[nH]1 ZINC000276803442 565461296 /nfs/dbraw/zinc/46/12/96/565461296.db2.gz GQYLCCMGDBKSFH-SFYZADRCSA-N 0 1 378.285 3.060 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)ccnc2Cl)n[nH]1 ZINC000276803444 565462283 /nfs/dbraw/zinc/46/22/83/565462283.db2.gz GQYLCCMGDBKSFH-YUMQZZPRSA-N 0 1 378.285 3.060 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000276867354 565464222 /nfs/dbraw/zinc/46/42/22/565464222.db2.gz LDLDKUONVUHUQT-IUCAKERBSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000276867351 565464497 /nfs/dbraw/zinc/46/44/97/565464497.db2.gz LDLDKUONVUHUQT-BDAKNGLRSA-N 0 1 384.267 3.441 20 0 GGADMN O=C(NCCN1CCCOCC1)C1(c2cccc(Br)c2)CCCC1 ZINC000189436450 565464701 /nfs/dbraw/zinc/46/47/01/565464701.db2.gz IQCPGBILNIUQMX-UHFFFAOYSA-N 0 1 395.341 3.099 20 0 GGADMN C[C@H](CS(C)(=O)=O)NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000172122063 565466889 /nfs/dbraw/zinc/46/68/89/565466889.db2.gz HPNXMVRTCORRQU-CYBMUJFWSA-N 0 1 383.945 3.481 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000172121877 565467234 /nfs/dbraw/zinc/46/72/34/565467234.db2.gz JXZZLCLQJCLVHX-JOYOIKCWSA-N 0 1 393.349 3.081 20 0 GGADMN C[C@H](CS(C)(=O)=O)NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000172121892 565467342 /nfs/dbraw/zinc/46/73/42/565467342.db2.gz JXZZLCLQJCLVHX-SKDRFNHKSA-N 0 1 393.349 3.081 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172112293 565467544 /nfs/dbraw/zinc/46/75/44/565467544.db2.gz VVFWPPOOFJEKAS-UHFFFAOYSA-N 0 1 382.869 3.375 20 0 GGADMN OC1(CNCc2csc(-c3cccc(Br)c3)n2)CCOCC1 ZINC000172118637 565467561 /nfs/dbraw/zinc/46/75/61/565467561.db2.gz WZEQUFGTXJIBJC-UHFFFAOYSA-N 0 1 383.311 3.204 20 0 GGADMN O=C(Nc1nnc(-c2ccsc2)s1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000377174108 565468499 /nfs/dbraw/zinc/46/84/99/565468499.db2.gz URZJWKOREIPOES-UHFFFAOYSA-N 0 1 387.471 3.456 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 ZINC000276967356 565468523 /nfs/dbraw/zinc/46/85/23/565468523.db2.gz XRWGDQAQHFLPPJ-BDAKNGLRSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000276996806 565470359 /nfs/dbraw/zinc/47/03/59/565470359.db2.gz TXNYAKLLRFSUCA-NXEZZACHSA-N 0 1 387.303 3.120 20 0 GGADMN CCOCCOc1ccc(Br)cc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000277009419 565471508 /nfs/dbraw/zinc/47/15/08/565471508.db2.gz MOVHWDOCCXCERA-UHFFFAOYSA-N 0 1 398.253 3.445 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189523674 565471705 /nfs/dbraw/zinc/47/17/05/565471705.db2.gz YURDURXTMLXBSR-UHFFFAOYSA-N 0 1 380.901 3.307 20 0 GGADMN CC(C)N(C)c1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cn1 ZINC000277050604 565473220 /nfs/dbraw/zinc/47/32/20/565473220.db2.gz QIFWXCMWVHZKRB-UHFFFAOYSA-N 0 1 381.929 3.273 20 0 GGADMN CC(C)n1cc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000377300824 565473980 /nfs/dbraw/zinc/47/39/80/565473980.db2.gz OJYOUNHZUGKLAK-CQSZACIVSA-N 0 1 378.318 3.238 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(Br)ccc1F ZINC000172244725 565473993 /nfs/dbraw/zinc/47/39/93/565473993.db2.gz YNMZXLFNPIQJRL-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN C[C@@H](O)CN1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC000189552047 565474189 /nfs/dbraw/zinc/47/41/89/565474189.db2.gz XSSFKQJNVFGMHR-HUUCEWRRSA-N 0 1 379.957 3.274 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc([C@H]4C[C@@]45CCOC5)n3)n2)c1 ZINC000377462957 565481047 /nfs/dbraw/zinc/48/10/47/565481047.db2.gz KZNQRBVRQWOKTB-BDJLRTHQSA-N 0 1 388.225 3.178 20 0 GGADMN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)C[C@@H]1CCCO1)c1ccco1 ZINC000172365602 565481713 /nfs/dbraw/zinc/48/17/13/565481713.db2.gz YRZFULYDVSFFHB-LBPRGKRZSA-N 0 1 384.841 3.106 20 0 GGADMN O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@H]1CCCc2cn[nH]c21 ZINC000277218573 565483507 /nfs/dbraw/zinc/48/35/07/565483507.db2.gz FVXXIFYORZAIMF-KGLIPLIRSA-N 0 1 379.247 3.257 20 0 GGADMN CN1C(=O)N([C@@H]2CCCc3cn[nH]c32)C(=O)[C@H]1c1cccc(Br)c1 ZINC000277264728 565485845 /nfs/dbraw/zinc/48/58/45/565485845.db2.gz IZOIEOICUFQBBS-UKRRQHHQSA-N 0 1 389.253 3.185 20 0 GGADMN C[C@H](NC(=O)CN1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000377593622 565487423 /nfs/dbraw/zinc/48/74/23/565487423.db2.gz QUXBFMZMLWIBTC-AWEZNQCLSA-N 0 1 391.313 3.160 20 0 GGADMN Brc1ccc2nc(N3CC[C@H](CN4CCOCC4)C3)ccc2c1 ZINC000301473903 565488146 /nfs/dbraw/zinc/48/81/46/565488146.db2.gz VHUCGYNUGSYUBP-CQSZACIVSA-N 0 1 376.298 3.156 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(Cl)c3O)cc2C[C@@H]1C ZINC000172515880 565489400 /nfs/dbraw/zinc/48/94/00/565489400.db2.gz DSKVAEFIROPVGS-JTQLQIEISA-N 0 1 380.853 3.144 20 0 GGADMN CC(C)[C@@]1(CO)CCN(Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000377659317 565491300 /nfs/dbraw/zinc/49/13/00/565491300.db2.gz MNWYNDBJMNZJNM-KRWDZBQOSA-N 0 1 380.286 3.340 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000172617745 565494895 /nfs/dbraw/zinc/49/48/95/565494895.db2.gz IMLGGYUJJPYRIA-UHFFFAOYSA-N 0 1 399.248 3.070 20 0 GGADMN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1nnc[nH]1 ZINC000172615497 565494979 /nfs/dbraw/zinc/49/49/79/565494979.db2.gz CGYGVSIJNVXDDT-UHFFFAOYSA-N 0 1 377.857 3.074 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000172616037 565495006 /nfs/dbraw/zinc/49/50/06/565495006.db2.gz ATHQTDAYFITVEO-UHFFFAOYSA-N 0 1 388.225 3.027 20 0 GGADMN CCOC(=O)CCCCN(C)CC(=O)Nc1ccc(Br)cc1C ZINC000172619371 565495425 /nfs/dbraw/zinc/49/54/25/565495425.db2.gz QXCCBJHBRZQIDN-UHFFFAOYSA-N 0 1 385.302 3.361 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189901962 565495879 /nfs/dbraw/zinc/49/58/79/565495879.db2.gz FLUNTFKLTLVPFU-OLZOCXBDSA-N 0 1 388.339 3.097 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000172645625 565496590 /nfs/dbraw/zinc/49/65/90/565496590.db2.gz GDLXOGGJSNXXEW-UHFFFAOYSA-N 0 1 384.284 3.024 20 0 GGADMN CC[C@H]1CCCCN1CCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189908890 565497461 /nfs/dbraw/zinc/49/74/61/565497461.db2.gz JVGGLERZFLPLKU-AWEZNQCLSA-N 0 1 387.933 3.130 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2cc(Cl)ccc2Cl)C1(C)C ZINC000189967489 565499634 /nfs/dbraw/zinc/49/96/34/565499634.db2.gz FZOSFEZYADMPBZ-YOEHRIQHSA-N 0 1 375.296 3.088 20 0 GGADMN CC(C)CN1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000301618151 565499895 /nfs/dbraw/zinc/49/98/95/565499895.db2.gz BFCSCVMSLCOJHN-UHFFFAOYSA-N 0 1 381.307 3.317 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2ccc(Cl)cc2Cl)C1(C)C ZINC000190012053 565501692 /nfs/dbraw/zinc/50/16/92/565501692.db2.gz QLHADPSQYQGSBK-WMLDXEAASA-N 0 1 375.296 3.088 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2cccc(Cl)c2Cl)C1(C)C ZINC000190010146 565501960 /nfs/dbraw/zinc/50/19/60/565501960.db2.gz ACLFSFDXFUJDIA-DYVFJYSZSA-N 0 1 375.296 3.088 20 0 GGADMN O=C(CNC(=O)c1[nH]nc2c1CCCCC2)Nc1cc(Cl)ccc1Cl ZINC000190009838 565501977 /nfs/dbraw/zinc/50/19/77/565501977.db2.gz CFFPSUMMKZNQGS-UHFFFAOYSA-N 0 1 381.263 3.354 20 0 GGADMN Cc1cc(Br)cnc1N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000301658204 565502221 /nfs/dbraw/zinc/50/22/21/565502221.db2.gz WEEQDBGEIYTLSG-OAHLLOKOSA-N 0 1 390.329 3.170 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccc(Cl)cc2Cl)C1(C)C ZINC000190011995 565502211 /nfs/dbraw/zinc/50/22/11/565502211.db2.gz QLHADPSQYQGSBK-PBHICJAKSA-N 0 1 375.296 3.088 20 0 GGADMN CCN(CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000172743608 565502953 /nfs/dbraw/zinc/50/29/53/565502953.db2.gz RONWBFUMKSKXIJ-HNNXBMFYSA-N 0 1 379.444 3.373 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1Br ZINC000190037537 565503378 /nfs/dbraw/zinc/50/33/78/565503378.db2.gz ONEALVJNHNJVON-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190052154 565504324 /nfs/dbraw/zinc/50/43/24/565504324.db2.gz NUJIRNQGGPJIKF-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN O=C(c1c(F)cccc1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000377978737 565506814 /nfs/dbraw/zinc/50/68/14/565506814.db2.gz PYCLPLAGKPAMJQ-UHFFFAOYSA-N 0 1 399.304 3.163 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1Br ZINC000190087097 565507800 /nfs/dbraw/zinc/50/78/00/565507800.db2.gz NJIFPOFFCXZYEY-CYBMUJFWSA-N 0 1 384.318 3.066 20 0 GGADMN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000277595196 565508506 /nfs/dbraw/zinc/50/85/06/565508506.db2.gz SUNIARRVYRXSEH-UHFFFAOYSA-N 0 1 375.372 3.255 20 0 GGADMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000172889832 565510321 /nfs/dbraw/zinc/51/03/21/565510321.db2.gz MHCWCDQFHMVZPA-UHFFFAOYSA-N 0 1 386.832 3.258 20 0 GGADMN Cc1nn(C)c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1C ZINC000277654857 565512479 /nfs/dbraw/zinc/51/24/79/565512479.db2.gz DWYHQFGKXAGVHT-UHFFFAOYSA-N 0 1 378.679 3.254 20 0 GGADMN Cc1cc(N[C@@H](C)CN2CCN(c3ccccn3)CC2)ncc1Br ZINC000301830176 565512517 /nfs/dbraw/zinc/51/25/17/565512517.db2.gz PPQQLBBZHIQLEL-HNNXBMFYSA-N 0 1 390.329 3.170 20 0 GGADMN Cc1c(Br)cccc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190167405 565512780 /nfs/dbraw/zinc/51/27/80/565512780.db2.gz AXIMQKSSJMKJGY-LBPRGKRZSA-N 0 1 384.318 3.066 20 0 GGADMN O=C1[C@@H](NCc2c[nH]c3nccnc23)CCN1c1ccc(Cl)cc1Cl ZINC000378127947 565512877 /nfs/dbraw/zinc/51/28/77/565512877.db2.gz GWLQYBMXZXGVEX-ZDUSSCGKSA-N 0 1 376.247 3.111 20 0 GGADMN Cc1cc(NCC2CCN(CC(=O)NC(C)(C)C)CC2)ncc1Br ZINC000301843748 565513288 /nfs/dbraw/zinc/51/32/88/565513288.db2.gz RTGRDUMUOVEGBW-UHFFFAOYSA-N 0 1 397.361 3.191 20 0 GGADMN NC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000190220067 565516274 /nfs/dbraw/zinc/51/62/74/565516274.db2.gz KJNRSXHZCYKCCD-UHFFFAOYSA-N 0 1 378.212 3.424 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)sc1Cl ZINC000190224025 565517736 /nfs/dbraw/zinc/51/77/36/565517736.db2.gz SCKZOIUKLNQJNQ-UHFFFAOYSA-N 0 1 383.875 3.053 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(Br)c(F)cc2F)[nH]1 ZINC000190242532 565517754 /nfs/dbraw/zinc/51/77/54/565517754.db2.gz XOERMNJMVJWNHX-UHFFFAOYSA-N 0 1 377.214 3.275 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000378242401 565517805 /nfs/dbraw/zinc/51/78/05/565517805.db2.gz CHSXWCKMKRETIG-NEPJUHHUSA-N 0 1 399.563 3.407 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000378242406 565517982 /nfs/dbraw/zinc/51/79/82/565517982.db2.gz CHSXWCKMKRETIG-VXGBXAGGSA-N 0 1 399.563 3.407 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3ccc(Cl)cc3Br)C[C@H]2CO)cn1 ZINC000277786841 565519721 /nfs/dbraw/zinc/51/97/21/565519721.db2.gz OHADFGXITGRGNF-ZFWWWQNUSA-N 0 1 384.705 3.044 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccccc2I)n[nH]1 ZINC000277781480 565519740 /nfs/dbraw/zinc/51/97/40/565519740.db2.gz JIYCUIRJHPZZKY-UWVGGRQHSA-N 0 1 398.248 3.414 20 0 GGADMN Nc1nc(NCC2(c3ccccc3Br)CC2)cc(-n2cccn2)n1 ZINC000301957076 565521256 /nfs/dbraw/zinc/52/12/56/565521256.db2.gz ADAPMZAZFBXAJC-UHFFFAOYSA-N 0 1 385.269 3.151 20 0 GGADMN O=C1Cc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)ccc2N1 ZINC000190293196 565521392 /nfs/dbraw/zinc/52/13/92/565521392.db2.gz NWUPNDGBAUMENA-UHFFFAOYSA-N 0 1 375.208 3.428 20 0 GGADMN C[C@@H](CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1)N1CCN(C)CC1 ZINC000277863328 565525010 /nfs/dbraw/zinc/52/50/10/565525010.db2.gz AZWYLWRMNUMMPW-AWEZNQCLSA-N 0 1 384.351 3.167 20 0 GGADMN C[C@H](CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1)N1CCN(C)CC1 ZINC000277863333 565525411 /nfs/dbraw/zinc/52/54/11/565525411.db2.gz AZWYLWRMNUMMPW-CQSZACIVSA-N 0 1 384.351 3.167 20 0 GGADMN Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000173081004 565526024 /nfs/dbraw/zinc/52/60/24/565526024.db2.gz YKLUSPTVYUKZFD-HNNXBMFYSA-N 0 1 382.526 3.386 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000173091567 565526582 /nfs/dbraw/zinc/52/65/82/565526582.db2.gz MSXXVSCQCOJZRO-IPYPFGDCSA-N 0 1 381.263 3.124 20 0 GGADMN CC[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(Br)c1 ZINC000378453313 565527307 /nfs/dbraw/zinc/52/73/07/565527307.db2.gz NIRXVKKLXBCBLY-DLBZAZTESA-N 0 1 399.304 3.409 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000173133179 565530003 /nfs/dbraw/zinc/53/00/03/565530003.db2.gz RZHSZXHXSKXWTB-STQMWFEESA-N 0 1 389.359 3.087 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190409845 565530005 /nfs/dbraw/zinc/53/00/05/565530005.db2.gz LOTDUYXZCXEFRR-GHMZBOCLSA-N 0 1 390.286 3.308 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000173133170 565530107 /nfs/dbraw/zinc/53/01/07/565530107.db2.gz RZHSZXHXSKXWTB-QWHCGFSZSA-N 0 1 389.359 3.087 20 0 GGADMN Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3Cc3ccccc32)c(Cl)n1 ZINC000190424754 565530942 /nfs/dbraw/zinc/53/09/42/565530942.db2.gz KBWNQVRUSVCHQS-OAHLLOKOSA-N 0 1 377.897 3.217 20 0 GGADMN COc1nc(-c2noc([C@@H](C)N3CCCCCC3)n2)ncc1Br ZINC000277960703 565531182 /nfs/dbraw/zinc/53/11/82/565531182.db2.gz SMVHGEDTOOOZHM-SNVBAGLBSA-N 0 1 382.262 3.235 20 0 GGADMN CN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190427658 565532058 /nfs/dbraw/zinc/53/20/58/565532058.db2.gz XMTVXGIUEHQSEP-UHFFFAOYSA-N 0 1 386.945 3.234 20 0 GGADMN C[C@H](NC(=O)CN1CCSC[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000190483952 565535814 /nfs/dbraw/zinc/53/58/14/565535814.db2.gz OXCKDVLZYSRDRV-OLZOCXBDSA-N 0 1 376.444 3.447 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccccc2Cl)c1 ZINC000190495160 565535908 /nfs/dbraw/zinc/53/59/08/565535908.db2.gz PQCKPALONDEKCP-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN NC(=O)c1cnccc1NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000302216396 565537430 /nfs/dbraw/zinc/53/74/30/565537430.db2.gz JOVUQEYNAPMJRD-UHFFFAOYSA-N 0 1 390.281 3.103 20 0 GGADMN COC(=O)CCN(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190514063 565537741 /nfs/dbraw/zinc/53/77/41/565537741.db2.gz PQPRGPHCUYFGKA-CQSZACIVSA-N 0 1 386.286 3.002 20 0 GGADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000379767689 565539512 /nfs/dbraw/zinc/53/95/12/565539512.db2.gz LKHDKEFPMVDGEP-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1[O-] ZINC000379767689 565539514 /nfs/dbraw/zinc/53/95/14/565539514.db2.gz LKHDKEFPMVDGEP-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN CN(CCCNCc1c(Cl)cccc1S(C)(=O)=O)Cc1ccccc1 ZINC000380658768 565539918 /nfs/dbraw/zinc/53/99/18/565539918.db2.gz RWZVMIUQUHFYJL-UHFFFAOYSA-N 0 1 380.941 3.355 20 0 GGADMN CCC[N@@H+]1CC[C@@H](NCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000389412735 565553727 /nfs/dbraw/zinc/55/37/27/565553727.db2.gz SLNPKTALSRNTLH-LLVKDONJSA-N 0 1 392.135 3.491 20 0 GGADMN Ic1cnc(CNCCCN2CCc3ccccc32)s1 ZINC000380490733 565540306 /nfs/dbraw/zinc/54/03/06/565540306.db2.gz MNJFUZNMLANSBS-UHFFFAOYSA-N 0 1 399.301 3.290 20 0 GGADMN CCC[N@H+]1CC[C@@H](NCc2cc(Br)c([O-])c(Br)c2)C1 ZINC000389412735 565553731 /nfs/dbraw/zinc/55/37/31/565553731.db2.gz SLNPKTALSRNTLH-LLVKDONJSA-N 0 1 392.135 3.491 20 0 GGADMN Fc1ccc(Br)c(CNCCn2cc(Br)cn2)c1 ZINC000381146626 565541754 /nfs/dbraw/zinc/54/17/54/565541754.db2.gz IDRYACXVQAXODG-UHFFFAOYSA-N 0 1 377.055 3.337 20 0 GGADMN CC(C)n1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000190567875 565542469 /nfs/dbraw/zinc/54/24/69/565542469.db2.gz RQDWEDZVTZIQGJ-UHFFFAOYSA-N 0 1 375.230 3.264 20 0 GGADMN COc1cccc(CNC(=O)CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000173273543 565543677 /nfs/dbraw/zinc/54/36/77/565543677.db2.gz IVPCSJSZMYESSW-UHFFFAOYSA-N 0 1 389.293 3.353 20 0 GGADMN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CCN1CC(C)(C)O ZINC000302511861 565543780 /nfs/dbraw/zinc/54/37/80/565543780.db2.gz SYIPIBPQLAAPMA-CYBMUJFWSA-N 0 1 380.945 3.064 20 0 GGADMN C[C@@H](CCN1CCN(C)CC1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000302530000 565544930 /nfs/dbraw/zinc/54/49/30/565544930.db2.gz PXVMQNSNTVUVLK-AWEZNQCLSA-N 0 1 379.961 3.220 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000385826121 565546728 /nfs/dbraw/zinc/54/67/28/565546728.db2.gz VTRSHPLCARQEFS-SNVBAGLBSA-N 0 1 389.677 3.228 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000385826121 565546732 /nfs/dbraw/zinc/54/67/32/565546732.db2.gz VTRSHPLCARQEFS-SNVBAGLBSA-N 0 1 389.677 3.228 20 0 GGADMN CCOC[C@@H](O)CN[C@@H](C)c1ccc(Br)cc1Br ZINC000386442975 565548140 /nfs/dbraw/zinc/54/81/40/565548140.db2.gz QDGINDBZGYOKOA-ONGXEEELSA-N 0 1 381.108 3.260 20 0 GGADMN CCOC[C@H](O)CN[C@H](C)c1ccc(Br)cc1Br ZINC000386442972 565548186 /nfs/dbraw/zinc/54/81/86/565548186.db2.gz QDGINDBZGYOKOA-MWLCHTKSSA-N 0 1 381.108 3.260 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000387120452 565549070 /nfs/dbraw/zinc/54/90/70/565549070.db2.gz HISYEOTZWTXUEF-NSHDSACASA-N 0 1 389.677 3.370 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000387120452 565549072 /nfs/dbraw/zinc/54/90/72/565549072.db2.gz HISYEOTZWTXUEF-NSHDSACASA-N 0 1 389.677 3.370 20 0 GGADMN O=c1[nH]c(N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nc2[nH]ncc21 ZINC000302668661 565550121 /nfs/dbraw/zinc/55/01/21/565550121.db2.gz CWXOOXNWBOCCIP-SNVBAGLBSA-N 0 1 379.251 3.446 20 0 GGADMN CC(C)(C)[S@@](=O)Cc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333937 565551514 /nfs/dbraw/zinc/55/15/14/565551514.db2.gz YHJNZJFYIYQTCE-VDBVYFBLSA-N 0 1 376.400 3.111 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1csc(-c2cccs2)n1 ZINC000278336163 565552110 /nfs/dbraw/zinc/55/21/10/565552110.db2.gz GJNOGLUTAAJLLI-CYBMUJFWSA-N 0 1 377.535 3.197 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1C(F)(F)F ZINC000389020493 565553677 /nfs/dbraw/zinc/55/36/77/565553677.db2.gz LZDWMROMLCNUJD-SNVBAGLBSA-N 0 1 377.204 3.434 20 0 GGADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000389805267 565554651 /nfs/dbraw/zinc/55/46/51/565554651.db2.gz LEBCISWGDDWBEK-MWLCHTKSSA-N 0 1 389.677 3.084 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000389805267 565554655 /nfs/dbraw/zinc/55/46/55/565554655.db2.gz LEBCISWGDDWBEK-MWLCHTKSSA-N 0 1 389.677 3.084 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000173386868 565555259 /nfs/dbraw/zinc/55/52/59/565555259.db2.gz QTGXOXOHHSUKGY-QGZVFWFLSA-N 0 1 378.925 3.342 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)[nH]1 ZINC000173414909 565556533 /nfs/dbraw/zinc/55/65/33/565556533.db2.gz YNCVIOYBXXDDHT-UHFFFAOYSA-N 0 1 376.873 3.132 20 0 GGADMN CN(C)[C@@H](CNc1cc(N2CCSCC2)ncn1)c1ccccc1Cl ZINC000302780810 565557069 /nfs/dbraw/zinc/55/70/69/565557069.db2.gz ITUFWTQRLRCCNZ-INIZCTEOSA-N 0 1 377.945 3.398 20 0 GGADMN Ic1cnc(CN[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000390703902 565557071 /nfs/dbraw/zinc/55/70/71/565557071.db2.gz AWBKNUVITQFUAE-ZDUSSCGKSA-N 0 1 399.301 3.112 20 0 GGADMN OCCn1ncc2c1CCC[C@@H]2N[C@H]1CCc2sc(Br)cc21 ZINC000390713282 565557146 /nfs/dbraw/zinc/55/71/46/565557146.db2.gz IOVRCORUESQBAZ-STQMWFEESA-N 0 1 382.327 3.354 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccccc1Br)N(C)Cc1ccccc1 ZINC000390807108 565557685 /nfs/dbraw/zinc/55/76/85/565557685.db2.gz LQUUOXNEFDKTGJ-AWEZNQCLSA-N 0 1 397.338 3.248 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2N[C@H]1CCc2sc(Br)cc21 ZINC000390713273 565558206 /nfs/dbraw/zinc/55/82/06/565558206.db2.gz IOVRCORUESQBAZ-OLZOCXBDSA-N 0 1 382.327 3.354 20 0 GGADMN O=C1CCCCN1CC1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000173445833 565558664 /nfs/dbraw/zinc/55/86/64/565558664.db2.gz MUHNWDPULRRDRL-GOSISDBHSA-N 0 1 395.341 3.207 20 0 GGADMN O=C([O-])CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000391360572 565561170 /nfs/dbraw/zinc/56/11/70/565561170.db2.gz NTHGCPOSBICTKE-UHFFFAOYSA-N 0 1 380.242 3.186 20 0 GGADMN CC(C)(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1 ZINC000391460807 565561368 /nfs/dbraw/zinc/56/13/68/565561368.db2.gz CGHLNSGLRVSKBF-UHFFFAOYSA-N 0 1 399.148 3.124 20 0 GGADMN CSC1(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1 ZINC000302862420 565561465 /nfs/dbraw/zinc/56/14/65/565561465.db2.gz RBNLBPDKKHEKAM-UHFFFAOYSA-N 0 1 385.461 3.468 20 0 GGADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000392278726 565563999 /nfs/dbraw/zinc/56/39/99/565563999.db2.gz FIKZUWAXNTYCGG-KRWDZBQOSA-N 0 1 394.269 3.432 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1 ZINC000302939702 565564813 /nfs/dbraw/zinc/56/48/13/565564813.db2.gz BJZWNBJUUYUWIW-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2ccc(Br)cc2C(F)(F)F)n[nH]1 ZINC000392563570 565565984 /nfs/dbraw/zinc/56/59/84/565565984.db2.gz HYHNCBXQAIWIHZ-ZCFIWIBFSA-N 0 1 377.164 3.385 20 0 GGADMN Cc1csc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000190869475 565566143 /nfs/dbraw/zinc/56/61/43/565566143.db2.gz ORJMDCCMNMBZGG-RYUDHWBXSA-N 0 1 375.332 3.048 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000302984536 565566411 /nfs/dbraw/zinc/56/64/11/565566411.db2.gz KEGRLXTXYSGSPW-UHFFFAOYSA-N 0 1 382.277 3.483 20 0 GGADMN Cc1c(Br)cccc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000173554038 565566992 /nfs/dbraw/zinc/56/69/92/565566992.db2.gz LGEXQUNKFYQZDJ-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN OC[C@H]1CCCC[C@H]1NCc1c(Br)cncc1Br ZINC000394532234 565571198 /nfs/dbraw/zinc/57/11/98/565571198.db2.gz PIOOAEBGABHYMH-NOZJJQNGSA-N 0 1 378.108 3.247 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ncc(Br)cc1F ZINC000278584871 565567081 /nfs/dbraw/zinc/56/70/81/565567081.db2.gz YLXQMFHKEQVZKJ-AAEUAGOBSA-N 0 1 382.281 3.036 20 0 GGADMN O=C(NCCN1CC=CCC1)c1ccc(Br)cc1Br ZINC000392819094 565567434 /nfs/dbraw/zinc/56/74/34/565567434.db2.gz OTVRCOZDICMPDX-UHFFFAOYSA-N 0 1 388.103 3.203 20 0 GGADMN O=S1(=O)CC[C@@H](CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)C1 ZINC000278605210 565568764 /nfs/dbraw/zinc/56/87/64/565568764.db2.gz GDUWDBWSBNXXLK-QMMMGPOBSA-N 0 1 378.306 3.305 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccc(Cl)nc3C)cc2)CC1 ZINC000278635076 565569638 /nfs/dbraw/zinc/56/96/38/565569638.db2.gz IIVGOXGVKBFYAL-UHFFFAOYSA-N 0 1 380.853 3.049 20 0 GGADMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)s1 ZINC000278646127 565570826 /nfs/dbraw/zinc/57/08/26/565570826.db2.gz VVTVNWYYTZGLFF-UHFFFAOYSA-N 0 1 380.535 3.355 20 0 GGADMN CC(C)(CS(C)(=O)=O)NCc1cc(Br)cc(Br)c1 ZINC000394556976 565570873 /nfs/dbraw/zinc/57/08/73/565570873.db2.gz HGJVHMHWABMVQX-UHFFFAOYSA-N 0 1 399.148 3.124 20 0 GGADMN COc1ccc(Br)cc1[C@@H]1CCCN1CCCN1CCOCC1 ZINC000173610745 565571064 /nfs/dbraw/zinc/57/10/64/565571064.db2.gz QTQRASSYCOLDJA-KRWDZBQOSA-N 0 1 383.330 3.317 20 0 GGADMN OC[C@@H](NCc1c(Br)cncc1Br)C1CCCC1 ZINC000394540833 565571066 /nfs/dbraw/zinc/57/10/66/565571066.db2.gz WHGYFIYSTQZLQJ-CYBMUJFWSA-N 0 1 378.108 3.247 20 0 GGADMN Brc1cncc(Br)c1CNCCc1cscn1 ZINC000394532662 565571232 /nfs/dbraw/zinc/57/12/32/565571232.db2.gz PQTWZBZIQYAZER-UHFFFAOYSA-N 0 1 377.105 3.395 20 0 GGADMN C[C@H]1CCC[C@]1(O)CNCc1c(Br)cncc1Br ZINC000394532658 565571308 /nfs/dbraw/zinc/57/13/08/565571308.db2.gz PPXVRRGCPNDCIF-ZANVPECISA-N 0 1 378.108 3.247 20 0 GGADMN COCCN(C)c1ccc(CNCc2cc(Br)ccc2OC)cn1 ZINC000190961254 565572926 /nfs/dbraw/zinc/57/29/26/565572926.db2.gz YBTBWIACNSLLPY-UHFFFAOYSA-N 0 1 394.313 3.225 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375240 565573514 /nfs/dbraw/zinc/57/35/14/565573514.db2.gz PIXZVDUWWIQTTM-XJKSGUPXSA-N 0 1 383.330 3.109 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@@H](O)CC(C)(C)C1)c1ccc(Br)cc1 ZINC000395375240 565573521 /nfs/dbraw/zinc/57/35/21/565573521.db2.gz PIXZVDUWWIQTTM-XJKSGUPXSA-N 0 1 383.330 3.109 20 0 GGADMN NC(=O)c1ccccc1CC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000190962405 565573646 /nfs/dbraw/zinc/57/36/46/565573646.db2.gz KPBNZZGCBIQJJX-UHFFFAOYSA-N 0 1 383.629 3.088 20 0 GGADMN C[C@H]1CN(C(=O)c2ccncc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000395953008 565574015 /nfs/dbraw/zinc/57/40/15/565574015.db2.gz PSKJIAHHYSDOPZ-OAHLLOKOSA-N 0 1 388.309 3.438 20 0 GGADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000303777225 565574035 /nfs/dbraw/zinc/57/40/35/565574035.db2.gz GHPQXOOUKNUWCK-LLVKDONJSA-N 0 1 384.851 3.369 20 0 GGADMN Cc1cc(Br)cc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278731470 565574351 /nfs/dbraw/zinc/57/43/51/565574351.db2.gz SOPIUHXBUABMIA-CQSZACIVSA-N 0 1 396.329 3.475 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018709 565574584 /nfs/dbraw/zinc/57/45/84/565574584.db2.gz GDVQJHPYANZQKM-UWVGGRQHSA-N 0 1 389.677 3.226 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018709 565574586 /nfs/dbraw/zinc/57/45/86/565574586.db2.gz GDVQJHPYANZQKM-UWVGGRQHSA-N 0 1 389.677 3.226 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018702 565575210 /nfs/dbraw/zinc/57/52/10/565575210.db2.gz GDVQJHPYANZQKM-NXEZZACHSA-N 0 1 389.677 3.226 20 0 GGADMN COC[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000278746921 565575088 /nfs/dbraw/zinc/57/50/88/565575088.db2.gz AOMFILIPIAXAGP-KGLIPLIRSA-N 0 1 380.794 3.081 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018702 565575214 /nfs/dbraw/zinc/57/52/14/565575214.db2.gz GDVQJHPYANZQKM-NXEZZACHSA-N 0 1 389.677 3.226 20 0 GGADMN O=C(c1cc(Br)sc1Br)N1CCc2nc[nH]c2C1 ZINC000396828743 565575469 /nfs/dbraw/zinc/57/54/69/565575469.db2.gz FLGBRAZYTPJRFQ-UHFFFAOYSA-N 0 1 391.088 3.195 20 0 GGADMN COC[C@H](NCc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000278749585 565575431 /nfs/dbraw/zinc/57/54/31/565575431.db2.gz AROGSRHRDOFZGC-IRXDYDNUSA-N 0 1 392.297 3.190 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NC(=O)NCc1cccs1 ZINC000303906582 565575458 /nfs/dbraw/zinc/57/54/58/565575458.db2.gz TZSNZIIGNNINGH-CYBMUJFWSA-N 0 1 379.913 3.290 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018713 565575569 /nfs/dbraw/zinc/57/55/69/565575569.db2.gz GDVQJHPYANZQKM-VHSXEESVSA-N 0 1 389.677 3.226 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018713 565575571 /nfs/dbraw/zinc/57/55/71/565575571.db2.gz GDVQJHPYANZQKM-VHSXEESVSA-N 0 1 389.677 3.226 20 0 GGADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(C2CCCC2)CC1 ZINC000303951110 565576213 /nfs/dbraw/zinc/57/62/13/565576213.db2.gz IJIIWPJWOLHXSA-CQSZACIVSA-N 0 1 381.314 3.303 20 0 GGADMN C[NH+](C)CC(C)(C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000308609953 565578082 /nfs/dbraw/zinc/57/80/82/565578082.db2.gz UZUMGYSXWUOFFD-UHFFFAOYSA-N 0 1 380.124 3.347 20 0 GGADMN COc1ccnc(CNC(C)(C)COc2ncccc2Br)c1OC ZINC000191033638 565578621 /nfs/dbraw/zinc/57/86/21/565578621.db2.gz BRQOVOMIGMMZAM-UHFFFAOYSA-N 0 1 396.285 3.204 20 0 GGADMN C[N@H+](Cc1cc(Br)c([O-])c(Br)c1)C[C@H]1CCOC1 ZINC000398850047 565578827 /nfs/dbraw/zinc/57/88/27/565578827.db2.gz QNFVKRSTNHMUMX-SECBINFHSA-N 0 1 379.092 3.386 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000278833971 565579457 /nfs/dbraw/zinc/57/94/57/565579457.db2.gz JZGPSBGYEMYIME-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000399841576 565579418 /nfs/dbraw/zinc/57/94/18/565579418.db2.gz CGRJNAFWWDIXHP-NTCNTBNZSA-N 0 1 399.148 3.116 20 0 GGADMN CNC(=O)[C@@H]1CCCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000173724533 565579629 /nfs/dbraw/zinc/57/96/29/565579629.db2.gz ZCIGKDOJCMCXOW-CYBMUJFWSA-N 0 1 378.270 3.062 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(CCCO)CC1)c1ccc(Br)cc1 ZINC000401069704 565580771 /nfs/dbraw/zinc/58/07/71/565580771.db2.gz MOVFWDPMELJXBG-CQSZACIVSA-N 0 1 383.330 3.111 20 0 GGADMN COCCOC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173731797 565580825 /nfs/dbraw/zinc/58/08/25/565580825.db2.gz IEJGRAFYYJBPDZ-CABCVRRESA-N 0 1 399.329 3.069 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000191069905 565580976 /nfs/dbraw/zinc/58/09/76/565580976.db2.gz BWTFFEZMOSSECA-UHFFFAOYSA-N 0 1 378.460 3.260 20 0 GGADMN Cc1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)ccc1Br ZINC000278847588 565581101 /nfs/dbraw/zinc/58/11/01/565581101.db2.gz LNNCKISFRVRUSE-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN Cc1occc1C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000191090080 565582210 /nfs/dbraw/zinc/58/22/10/565582210.db2.gz IGWWWNDNDAGNAN-UHFFFAOYSA-N 0 1 392.297 3.350 20 0 GGADMN COCCN(Cc1cccnc1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000191108574 565583022 /nfs/dbraw/zinc/58/30/22/565583022.db2.gz WHZPZWDXZPHTQY-INIZCTEOSA-N 0 1 385.291 3.277 20 0 GGADMN COCCN(Cc1cccnc1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000191108596 565583281 /nfs/dbraw/zinc/58/32/81/565583281.db2.gz WHZPZWDXZPHTQY-MRXNPFEDSA-N 0 1 385.291 3.277 20 0 GGADMN Cn1cc(N2CCC[C@H](N[C@@H]3CCSc4ccc(Cl)cc43)C2=O)cn1 ZINC000173765280 565583724 /nfs/dbraw/zinc/58/37/24/565583724.db2.gz NMRZHGOGROQLRW-CVEARBPZSA-N 0 1 376.913 3.396 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H]3CCSc4ccc(Cl)cc43)C2=O)n(C)n1 ZINC000173765433 565583895 /nfs/dbraw/zinc/58/38/95/565583895.db2.gz KHWRXWWEUVXYOD-GJZGRUSLSA-N 0 1 376.913 3.314 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N[C@H]3CCSc4ccc(Cl)cc43)C2=O)n1 ZINC000173765264 565583961 /nfs/dbraw/zinc/58/39/61/565583961.db2.gz AYGZFSUDUNCFJA-LSDHHAIUSA-N 0 1 376.913 3.396 20 0 GGADMN O=C(c1csc(I)c1)N1CCNC[C@H]1c1ccccc1 ZINC000313344288 565584767 /nfs/dbraw/zinc/58/47/67/565584767.db2.gz FTWBYWWIXHYMNW-ZDUSSCGKSA-N 0 1 398.269 3.139 20 0 GGADMN CC[C@]1(C)CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000173777334 565585142 /nfs/dbraw/zinc/58/51/42/565585142.db2.gz WJTHXPYRYIASJO-GOSISDBHSA-N 0 1 396.329 3.016 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1c(Cl)cc(F)cc1Cl ZINC000278911264 565585047 /nfs/dbraw/zinc/58/50/47/565585047.db2.gz SXOZNDOBHQLDMY-NSHDSACASA-N 0 1 375.271 3.458 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@@H]1C(=O)[O-] ZINC000405191385 565585075 /nfs/dbraw/zinc/58/50/75/565585075.db2.gz RMDMOLCYQRGMCB-SKDRFNHKSA-N 0 1 393.652 3.487 20 0 GGADMN CCOC(=O)C1CCC(O)(CN[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000278922392 565585415 /nfs/dbraw/zinc/58/54/15/565585415.db2.gz LSIZOLRNXAJQTC-NLTNOIMHSA-N 0 1 380.432 3.297 20 0 GGADMN O=S(=O)(Nc1ccc2n[nH]nc2c1)c1ccc(Cl)c(Br)c1 ZINC000191170644 565586066 /nfs/dbraw/zinc/58/60/66/565586066.db2.gz CFKNDLAKZKDHPO-UHFFFAOYSA-N 0 1 387.646 3.175 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)CSc1n[nH]c(C)n1)c1ccccc1Cl ZINC000173797628 565587407 /nfs/dbraw/zinc/58/74/07/565587407.db2.gz AMJHTPNGRGONMO-HNNXBMFYSA-N 0 1 381.933 3.058 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278956113 565587633 /nfs/dbraw/zinc/58/76/33/565587633.db2.gz ZKEODDCYTRRKFO-AWEZNQCLSA-N 0 1 398.345 3.157 20 0 GGADMN CN(Cc1cnc[nH]1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000191191787 565587964 /nfs/dbraw/zinc/58/79/64/565587964.db2.gz REXKFEQEPKBZTJ-HNNXBMFYSA-N 0 1 380.286 3.362 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000315201246 565589134 /nfs/dbraw/zinc/58/91/34/565589134.db2.gz DILNATBRLIWSDK-ZDUSSCGKSA-N 0 1 382.176 3.167 20 0 GGADMN C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279031498 565591367 /nfs/dbraw/zinc/59/13/67/565591367.db2.gz DMQSNBQMSSSXOI-HIFRSBDPSA-N 0 1 390.307 3.003 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000191273139 565592419 /nfs/dbraw/zinc/59/24/19/565592419.db2.gz BCDADLGPCKUENR-LBPRGKRZSA-N 0 1 388.295 3.188 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c(Br)c1 ZINC000316818263 565592797 /nfs/dbraw/zinc/59/27/97/565592797.db2.gz JASFUJFHYJLCFW-CQSZACIVSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1sc(Br)c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1C ZINC000408068600 565593734 /nfs/dbraw/zinc/59/37/34/565593734.db2.gz WPWJRQHJYIEQCX-SECBINFHSA-N 0 1 386.271 3.236 20 0 GGADMN OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000191288212 565594494 /nfs/dbraw/zinc/59/44/94/565594494.db2.gz UESYCIHKMVYJJU-UHFFFAOYSA-N 0 1 379.298 3.289 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@H+](CC2CCCC2)C1)c1sccc1Br ZINC000173867142 565594935 /nfs/dbraw/zinc/59/49/35/565594935.db2.gz DKBBRVJGVZZHRF-GFCCVEGCSA-N 0 1 393.372 3.053 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[N@@H+](CC2CCCC2)C1)c1sccc1Br ZINC000173867142 565594938 /nfs/dbraw/zinc/59/49/38/565594938.db2.gz DKBBRVJGVZZHRF-GFCCVEGCSA-N 0 1 393.372 3.053 20 0 GGADMN CC(C)[C@H](NCc1cc(Br)c(Cl)s1)C(=O)N1CCOCC1 ZINC000191299074 565594891 /nfs/dbraw/zinc/59/48/91/565594891.db2.gz GJIFCCQGRCPYHM-LBPRGKRZSA-N 0 1 395.750 3.137 20 0 GGADMN CCN(CC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1)C1CC1 ZINC000279085895 565594962 /nfs/dbraw/zinc/59/49/62/565594962.db2.gz BFSFJPBSEJSBGA-UHFFFAOYSA-N 0 1 394.313 3.108 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3ccnn3C)n2)cc1Br ZINC000191309355 565595258 /nfs/dbraw/zinc/59/52/58/565595258.db2.gz RFGLYMDZYBWHGP-UHFFFAOYSA-N 0 1 380.271 3.269 20 0 GGADMN O=C(CCc1ccccc1)N1CC[C@H](NCc2ccc(Br)o2)C1 ZINC000191313257 565595318 /nfs/dbraw/zinc/59/53/18/565595318.db2.gz BHJMCZMXATVICE-HNNXBMFYSA-N 0 1 377.282 3.365 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC[C@@H]3CCOC3=O)n2)cc1Br ZINC000191315562 565595686 /nfs/dbraw/zinc/59/56/86/565595686.db2.gz GIGMJQGXGKDCAA-VIFPVBQESA-N 0 1 398.282 3.288 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3nccn3C)n2)cc1Br ZINC000191309795 565595901 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COC[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000279119359 565596799 /nfs/dbraw/zinc/59/67/99/565596799.db2.gz ULOGGOYXYUACGY-STQMWFEESA-N 0 1 381.687 3.369 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(-c3ccccc3Br)c2)CCN1C ZINC000408207787 565599125 /nfs/dbraw/zinc/59/91/25/565599125.db2.gz UFQQXDABUQTTOR-OLZOCXBDSA-N 0 1 392.301 3.191 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)Nc2cc(Br)ccc2-n2cccn2)CCN1C ZINC000408209151 565599322 /nfs/dbraw/zinc/59/93/22/565599322.db2.gz YVELPUYVEPKXEY-OLZOCXBDSA-N 0 1 392.301 3.191 20 0 GGADMN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000319938719 565600309 /nfs/dbraw/zinc/60/03/09/565600309.db2.gz ASMWHRQVGGWEBZ-RNFRBKRXSA-N 0 1 390.130 3.160 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3cccc(Br)c3C)CC2)n[nH]1 ZINC000408224118 565600717 /nfs/dbraw/zinc/60/07/17/565600717.db2.gz NFDTULJEZWCBFZ-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN Cc1nnc(SCC(=O)NCC(C)(C)c2ccc(Br)cc2)[nH]1 ZINC000173975831 565602798 /nfs/dbraw/zinc/60/27/98/565602798.db2.gz ZVZMDKXGIOLNKL-UHFFFAOYSA-N 0 1 383.315 3.062 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCC(C)(C)c2ccc(Br)cc2)n1 ZINC000173975831 565602803 /nfs/dbraw/zinc/60/28/03/565602803.db2.gz ZVZMDKXGIOLNKL-UHFFFAOYSA-N 0 1 383.315 3.062 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000320597581 565603467 /nfs/dbraw/zinc/60/34/67/565603467.db2.gz BXMYWEQZFZKFIQ-UHFFFAOYSA-N 0 1 376.254 3.005 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000320991864 565604427 /nfs/dbraw/zinc/60/44/27/565604427.db2.gz MGOPCMNIXQNSBJ-MRXNPFEDSA-N 0 1 381.314 3.084 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000321036426 565604525 /nfs/dbraw/zinc/60/45/25/565604525.db2.gz RNULUYOOAPEHOP-UHFFFAOYSA-N 0 1 383.286 3.273 20 0 GGADMN CC(C)(C)n1cc(CNC(C)(C)COc2ncccc2Br)nn1 ZINC000191451680 565605780 /nfs/dbraw/zinc/60/57/80/565605780.db2.gz JAWNDRWZEMUPGO-UHFFFAOYSA-N 0 1 382.306 3.138 20 0 GGADMN Cc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000321931347 565608040 /nfs/dbraw/zinc/60/80/40/565608040.db2.gz KXAPUBXZKRQEFH-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000174031768 565608147 /nfs/dbraw/zinc/60/81/47/565608147.db2.gz HGZDMSLXHIDLDG-CYBMUJFWSA-N 0 1 381.933 3.323 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(Br)cc1 ZINC000322506077 565608946 /nfs/dbraw/zinc/60/89/46/565608946.db2.gz PENKICWHCDTADX-KRWDZBQOSA-N 0 1 376.250 3.339 20 0 GGADMN C[C@](CO)(NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000322503834 565609406 /nfs/dbraw/zinc/60/94/06/565609406.db2.gz RPHKFXNKGCEZMC-GOSISDBHSA-N 0 1 378.266 3.218 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000279404439 565611343 /nfs/dbraw/zinc/61/13/43/565611343.db2.gz HIGUDNCPDKNWPD-UHFFFAOYSA-N 0 1 392.301 3.267 20 0 GGADMN CCOCCOCCN(C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000191570964 565614502 /nfs/dbraw/zinc/61/45/02/565614502.db2.gz VKNUYFFISRETHF-UHFFFAOYSA-N 0 1 388.302 3.095 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c(Br)c1 ZINC000323712621 565614890 /nfs/dbraw/zinc/61/48/90/565614890.db2.gz ITLIDCDRHSJESK-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c(Br)c1 ZINC000323712621 565614894 /nfs/dbraw/zinc/61/48/94/565614894.db2.gz ITLIDCDRHSJESK-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)CC[C@@H]1C(=O)[O-] ZINC000323682823 565615289 /nfs/dbraw/zinc/61/52/89/565615289.db2.gz QDUSQZRVHOWANX-MFKMUULPSA-N 0 1 380.242 3.042 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)CC[C@H]1C(=O)[O-] ZINC000323682822 565615337 /nfs/dbraw/zinc/61/53/37/565615337.db2.gz QDUSQZRVHOWANX-GXFFZTMASA-N 0 1 380.242 3.042 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncccc2Br)C1 ZINC000323737355 565615367 /nfs/dbraw/zinc/61/53/67/565615367.db2.gz AOYWQKPAAOJSSD-OAHLLOKOSA-N 0 1 388.309 3.438 20 0 GGADMN COCCn1cc(CN2CCC(Nc3cccc(Br)c3)CC2)cn1 ZINC000279485889 565615402 /nfs/dbraw/zinc/61/54/02/565615402.db2.gz ULZVRWNSIREKTP-UHFFFAOYSA-N 0 1 393.329 3.369 20 0 GGADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000324289159 565616314 /nfs/dbraw/zinc/61/63/14/565616314.db2.gz MTWRMYDRPTYBLF-KRWDZBQOSA-N 0 1 384.270 3.153 20 0 GGADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000324289160 565616642 /nfs/dbraw/zinc/61/66/42/565616642.db2.gz MTWRMYDRPTYBLF-QGZVFWFLSA-N 0 1 384.270 3.153 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303009 565617923 /nfs/dbraw/zinc/61/79/23/565617923.db2.gz WOBUJCRMWUHCKB-XJKSGUPXSA-N 0 1 397.313 3.346 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(Br)s2)C1=O ZINC000191635787 565617948 /nfs/dbraw/zinc/61/79/48/565617948.db2.gz JIJSWXCLGYDFBZ-GFCCVEGCSA-N 0 1 383.315 3.012 20 0 GGADMN O=C(CN(CCO)C1CCCCC1)Nc1c(F)cc(F)cc1Br ZINC000174158721 565618290 /nfs/dbraw/zinc/61/82/90/565618290.db2.gz LSEPYJWWWWYCGG-UHFFFAOYSA-N 0 1 391.256 3.293 20 0 GGADMN O=C([C@H]1C[C@@]12CCc1cc(Br)ccc12)N1CCN(CC2CC2)CC1 ZINC000409478266 565618333 /nfs/dbraw/zinc/61/83/33/565618333.db2.gz LSVUYEDSQWWZGW-UYAOXDASSA-N 0 1 389.337 3.207 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCC(CN3CCOCC3)CC2)c1Br ZINC000279556931 565618564 /nfs/dbraw/zinc/61/85/64/565618564.db2.gz RKEGWGKIWZTDAJ-UHFFFAOYSA-N 0 1 399.304 3.081 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000174169186 565618791 /nfs/dbraw/zinc/61/87/91/565618791.db2.gz FLUZMONIPAIKGF-UHFFFAOYSA-N 0 1 382.276 3.436 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2cc(Br)cs2)C1=O ZINC000191644595 565619212 /nfs/dbraw/zinc/61/92/12/565619212.db2.gz IVBXRJVLBWZGKY-ZDUSSCGKSA-N 0 1 383.315 3.012 20 0 GGADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(Br)c(F)c2)C1=O ZINC000191643328 565619324 /nfs/dbraw/zinc/61/93/24/565619324.db2.gz SKCXASZMSXUZMQ-OAHLLOKOSA-N 0 1 395.276 3.090 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2ccc(Br)c(F)c2)C1=O ZINC000191643311 565619438 /nfs/dbraw/zinc/61/94/38/565619438.db2.gz SKCXASZMSXUZMQ-HNNXBMFYSA-N 0 1 395.276 3.090 20 0 GGADMN O=S1(=O)CCC[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000325390082 565621158 /nfs/dbraw/zinc/62/11/58/565621158.db2.gz PQOFUATURBSETQ-LBPRGKRZSA-N 0 1 375.334 3.391 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174212921 565621330 /nfs/dbraw/zinc/62/13/30/565621330.db2.gz PIBAMOAFPVLYGA-VNQPRFMTSA-N 0 1 383.319 3.278 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000174217554 565621455 /nfs/dbraw/zinc/62/14/55/565621455.db2.gz DBXWHYCWZGOHJN-UHFFFAOYSA-N 0 1 389.253 3.262 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174212937 565621768 /nfs/dbraw/zinc/62/17/68/565621768.db2.gz PIBAMOAFPVLYGA-FVQBIDKESA-N 0 1 383.319 3.278 20 0 GGADMN Cc1ccc(CCS(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000409530586 565622445 /nfs/dbraw/zinc/62/24/45/565622445.db2.gz UEDDXYSVJKKEFS-SFHVURJKSA-N 0 1 378.563 3.356 20 0 GGADMN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2C1 ZINC000409538370 565623832 /nfs/dbraw/zinc/62/38/32/565623832.db2.gz WUYNGSUQNCWWQS-LLVKDONJSA-N 0 1 380.491 3.230 20 0 GGADMN C[S@](=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000174261078 565624568 /nfs/dbraw/zinc/62/45/68/565624568.db2.gz KYTVSEVLACNBPO-QHCPKHFHSA-N 0 1 379.381 3.123 20 0 GGADMN CCCN1CCN(C(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000409560909 565624735 /nfs/dbraw/zinc/62/47/35/565624735.db2.gz IFMYIVBHTZVRCA-HKUYNNGSSA-N 0 1 377.326 3.207 20 0 GGADMN C[S@@](=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000174261066 565624847 /nfs/dbraw/zinc/62/48/47/565624847.db2.gz KYTVSEVLACNBPO-HSZRJFAPSA-N 0 1 379.381 3.123 20 0 GGADMN Cc1ccc(O[C@@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174261405 565624960 /nfs/dbraw/zinc/62/49/60/565624960.db2.gz XMFQWBGRVWUCEP-GUYCJALGSA-N 0 1 377.282 3.341 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000174251891 565625148 /nfs/dbraw/zinc/62/51/48/565625148.db2.gz YYOUJQUZTPLVDQ-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[nH]1 ZINC000174255168 565625162 /nfs/dbraw/zinc/62/51/62/565625162.db2.gz LMRDIAVWWOYNGQ-UHFFFAOYSA-N 0 1 381.433 3.169 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)n1 ZINC000174255168 565625164 /nfs/dbraw/zinc/62/51/64/565625164.db2.gz LMRDIAVWWOYNGQ-UHFFFAOYSA-N 0 1 381.433 3.169 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc([S@](C)=O)cc2)c(Br)c1 ZINC000174261642 565625215 /nfs/dbraw/zinc/62/52/15/565625215.db2.gz OZIYHKANSFRTAT-FQEVSTJZSA-N 0 1 388.308 3.296 20 0 GGADMN COc1ccc(O[C@@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174268509 565626365 /nfs/dbraw/zinc/62/63/65/565626365.db2.gz PGAAFMIJEZUZDB-YVEFUNNKSA-N 0 1 393.281 3.041 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1ccc(F)cc1 ZINC000174264457 565626381 /nfs/dbraw/zinc/62/63/81/565626381.db2.gz GODBFZMEKNGXKN-BZNIZROVSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](C)Cc2cccc(Br)c2)[nH]1 ZINC000174286072 565627043 /nfs/dbraw/zinc/62/70/43/565627043.db2.gz UZBMCVYKFCRGRO-SNVBAGLBSA-N 0 1 383.315 3.105 20 0 GGADMN C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689007 565627002 /nfs/dbraw/zinc/62/70/02/565627002.db2.gz GANMEUTUJCEIMV-DZGCQCFKSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689007 565627008 /nfs/dbraw/zinc/62/70/08/565627008.db2.gz GANMEUTUJCEIMV-DZGCQCFKSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000279690696 565628080 /nfs/dbraw/zinc/62/80/80/565628080.db2.gz PTNZNRWSIJUXLC-KOLCDFICSA-N 0 1 377.242 3.178 20 0 GGADMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000279690698 565628298 /nfs/dbraw/zinc/62/82/98/565628298.db2.gz PTNZNRWSIJUXLC-MWLCHTKSSA-N 0 1 377.242 3.178 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c(C)n2)ccc1C ZINC000174326871 565629399 /nfs/dbraw/zinc/62/93/99/565629399.db2.gz GCWOABHSVHEUSM-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl ZINC000174325940 565629793 /nfs/dbraw/zinc/62/97/93/565629793.db2.gz JUZMAGMLMKULST-UHFFFAOYSA-N 0 1 390.839 3.359 20 0 GGADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000327397777 565630217 /nfs/dbraw/zinc/63/02/17/565630217.db2.gz UEOWYBKTVCBYHP-UHFFFAOYSA-N 0 1 397.762 3.059 20 0 GGADMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1csc(Cl)c1 ZINC000191791062 565632950 /nfs/dbraw/zinc/63/29/50/565632950.db2.gz QLRIURWPGZOIAJ-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1C ZINC000191803753 565633106 /nfs/dbraw/zinc/63/31/06/565633106.db2.gz IIYLGARSWNMSON-UHFFFAOYSA-N 0 1 381.212 3.058 20 0 GGADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1 ZINC000191802911 565633163 /nfs/dbraw/zinc/63/31/63/565633163.db2.gz XKMHFOPOECRFCL-UHFFFAOYSA-N 0 1 398.264 3.337 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(N3CCSCC3)cc2C)[nH]1 ZINC000174404901 565633576 /nfs/dbraw/zinc/63/35/76/565633576.db2.gz XBDDAQAMMACAJO-UHFFFAOYSA-N 0 1 377.539 3.096 20 0 GGADMN C[C@H]1CCC[C@]1(O)CNCc1ncc(Br)cc1Br ZINC000328292528 565634280 /nfs/dbraw/zinc/63/42/80/565634280.db2.gz RXHPHLUZYATNQS-ZANVPECISA-N 0 1 378.108 3.247 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279828529 565636443 /nfs/dbraw/zinc/63/64/43/565636443.db2.gz YVKAWOXXTKALNY-HNNXBMFYSA-N 0 1 384.307 3.407 20 0 GGADMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1Cl ZINC000279837981 565636616 /nfs/dbraw/zinc/63/66/16/565636616.db2.gz GQIUHBDOXYMMTG-UHFFFAOYSA-N 0 1 386.836 3.152 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3CCCN(C(C)C)C3)c2)n1 ZINC000328637275 565636582 /nfs/dbraw/zinc/63/65/82/565636582.db2.gz CSSCGPYXASPIQB-MRXNPFEDSA-N 0 1 379.551 3.270 20 0 GGADMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000191842705 565636745 /nfs/dbraw/zinc/63/67/45/565636745.db2.gz KUNJPTLDCJIFSW-UHFFFAOYSA-N 0 1 382.283 3.480 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)C[C@@H]2CCCCO2)c2cccs2)CC1 ZINC000328693100 565638415 /nfs/dbraw/zinc/63/84/15/565638415.db2.gz FMEHLRHMGDXDFZ-IRXDYDNUSA-N 0 1 386.583 3.010 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000174512376 565640878 /nfs/dbraw/zinc/64/08/78/565640878.db2.gz AUPKLBAYSDMEPT-UHFFFAOYSA-N 0 1 392.228 3.446 20 0 GGADMN C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1nnc[nH]1 ZINC000174523752 565641074 /nfs/dbraw/zinc/64/10/74/565641074.db2.gz IGUICOUCAZUPKX-LLVKDONJSA-N 0 1 399.248 3.289 20 0 GGADMN Cc1nnc(SCCC(=O)NC(C)(C)Cc2ccc(Br)cc2)[nH]1 ZINC000174547353 565641815 /nfs/dbraw/zinc/64/18/15/565641815.db2.gz WUXHRMHSVVUJNK-UHFFFAOYSA-N 0 1 397.342 3.495 20 0 GGADMN C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1nnc[nH]1 ZINC000174540657 565642092 /nfs/dbraw/zinc/64/20/92/565642092.db2.gz BBYQOTSBSWHDSE-VIFPVBQESA-N 0 1 375.841 3.263 20 0 GGADMN Cc1nnc(SCC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000174537397 565642144 /nfs/dbraw/zinc/64/21/44/565642144.db2.gz FHFRZOFSFBALHI-ZDUSSCGKSA-N 0 1 387.292 3.112 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000174537397 565642146 /nfs/dbraw/zinc/64/21/46/565642146.db2.gz FHFRZOFSFBALHI-ZDUSSCGKSA-N 0 1 387.292 3.112 20 0 GGADMN CS(=O)(=O)C1(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000279945838 565642166 /nfs/dbraw/zinc/64/21/66/565642166.db2.gz ZDIGGIBAPIXKOQ-UHFFFAOYSA-N 0 1 375.334 3.391 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409814859 565642309 /nfs/dbraw/zinc/64/23/09/565642309.db2.gz YXJBZGMYUGSYMO-UHFFFAOYSA-N 0 1 398.275 3.239 20 0 GGADMN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(Br)cn1 ZINC000279963994 565642866 /nfs/dbraw/zinc/64/28/66/565642866.db2.gz CMTXPEZPROKLQK-ZDUSSCGKSA-N 0 1 383.311 3.359 20 0 GGADMN COC[C@H](CO)NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000279956305 565643629 /nfs/dbraw/zinc/64/36/29/565643629.db2.gz ZXXXPNKRLNQOEH-HNNXBMFYSA-N 0 1 383.275 3.343 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccncc2Br)[nH]1 ZINC000191962642 565644782 /nfs/dbraw/zinc/64/47/82/565644782.db2.gz FRFFDRSLFSMVIG-UHFFFAOYSA-N 0 1 395.257 3.339 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)n[nH]1 ZINC000409872891 565645516 /nfs/dbraw/zinc/64/55/16/565645516.db2.gz WQTHUILABBWFCS-QWRGUYRKSA-N 0 1 381.274 3.335 20 0 GGADMN NC(=O)[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1cccc(Br)c1 ZINC000409867860 565645862 /nfs/dbraw/zinc/64/58/62/565645862.db2.gz BLDAANNIQOEMMI-JKSUJKDBSA-N 0 1 379.685 3.386 20 0 GGADMN CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000174598240 565646016 /nfs/dbraw/zinc/64/60/16/565646016.db2.gz BXZLIGLOMKLBID-ZDUSSCGKSA-N 0 1 376.551 3.479 20 0 GGADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409875644 565646125 /nfs/dbraw/zinc/64/61/25/565646125.db2.gz SCODVICXSFCHGJ-BXSJSEAGSA-N 0 1 377.326 3.204 20 0 GGADMN Cc1nnc(SCCC(=O)N(C)Cc2ccc(Br)s2)[nH]1 ZINC000174601588 565646331 /nfs/dbraw/zinc/64/63/31/565646331.db2.gz JHXVJBLOBGZTCR-UHFFFAOYSA-N 0 1 375.317 3.078 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CCN1C ZINC000409891099 565647816 /nfs/dbraw/zinc/64/78/16/565647816.db2.gz KHLJQUDSYDVPKZ-OESLAJAZSA-N 0 1 377.326 3.204 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)[C@@H](C)CN1C ZINC000409893767 565647841 /nfs/dbraw/zinc/64/78/41/565647841.db2.gz AOHQZSWMJFHXDL-PBXUPMNYSA-N 0 1 377.326 3.204 20 0 GGADMN C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)[C@@H]2C1 ZINC000409913286 565648704 /nfs/dbraw/zinc/64/87/04/565648704.db2.gz SCOQEDOYYDVFIW-DDDRJPGCSA-N 0 1 389.337 3.206 20 0 GGADMN C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)[C@@H]2C1 ZINC000409913289 565648943 /nfs/dbraw/zinc/64/89/43/565648943.db2.gz SCOQEDOYYDVFIW-WGGKBWNUSA-N 0 1 389.337 3.206 20 0 GGADMN C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@]34CCc3cc(Br)ccc34)[C@H]2C1 ZINC000409913287 565649094 /nfs/dbraw/zinc/64/90/94/565649094.db2.gz SCOQEDOYYDVFIW-SBFOQGNTSA-N 0 1 389.337 3.206 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(OC)c1 ZINC000174652496 565649252 /nfs/dbraw/zinc/64/92/52/565649252.db2.gz IQJSYCNAEKDRBS-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)c(Br)c1 ZINC000174648026 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O=C([C@H]1CCc2[nH]nnc2C1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000329026378 565651210 /nfs/dbraw/zinc/65/12/10/565651210.db2.gz JULVNQGIUSGWNA-JOYOIKCWSA-N 0 1 381.299 3.097 20 0 GGADMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000329026378 565651217 /nfs/dbraw/zinc/65/12/17/565651217.db2.gz JULVNQGIUSGWNA-JOYOIKCWSA-N 0 1 381.299 3.097 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@H](N4CCCC4)C[C@H]3C)s2)cs1 ZINC000329047191 565652204 /nfs/dbraw/zinc/65/22/04/565652204.db2.gz GCCAPLVAQOXZFH-TZMCWYRMSA-N 0 1 397.591 3.427 20 0 GGADMN O=S(=O)(Nc1cccc2c1OCCO2)c1ccc(F)c(Br)c1 ZINC000174685164 565652308 /nfs/dbraw/zinc/65/23/08/565652308.db2.gz TVWWAQHAKUBZEO-UHFFFAOYSA-N 0 1 388.214 3.160 20 0 GGADMN COc1ccc([C@@H](C)NCCS(=O)(=O)C(C)(C)C)cc1Br ZINC000174693260 565652506 /nfs/dbraw/zinc/65/25/06/565652506.db2.gz OVTHQBSQEUROEO-LLVKDONJSA-N 0 1 378.332 3.322 20 0 GGADMN Cc1nnc(SCC(=O)NCC(C)(C)c2cccc(Br)c2)[nH]1 ZINC000174688876 565652538 /nfs/dbraw/zinc/65/25/38/565652538.db2.gz 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O=C1[C@H](N2CCC(n3ccnc3)CC2)CCN1c1cccc(Br)c1 ZINC000192074153 565655664 /nfs/dbraw/zinc/65/56/64/565655664.db2.gz MWTMOBYHSYBLRX-QGZVFWFLSA-N 0 1 389.297 3.088 20 0 GGADMN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280163648 565656344 /nfs/dbraw/zinc/65/63/44/565656344.db2.gz QUPJOWWHWHYYAL-BHDSKKPTSA-N 0 1 381.325 3.249 20 0 GGADMN O=S(=O)(Nc1cnn(CC2CC2)c1)c1cc(Br)c(F)cc1F ZINC000174769306 565657213 /nfs/dbraw/zinc/65/72/13/565657213.db2.gz QODDPBUAMBGELP-UHFFFAOYSA-N 0 1 392.225 3.135 20 0 GGADMN O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174766754 565657412 /nfs/dbraw/zinc/65/74/12/565657412.db2.gz JVALEGQTENMBOS-MRXNPFEDSA-N 0 1 390.281 3.131 20 0 GGADMN O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000174766754 565657415 /nfs/dbraw/zinc/65/74/15/565657415.db2.gz JVALEGQTENMBOS-MRXNPFEDSA-N 0 1 390.281 3.131 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(I)c(C)n2)c1 ZINC000410009334 565657911 /nfs/dbraw/zinc/65/79/11/565657911.db2.gz GPXGOMUVICCGDN-UHFFFAOYSA-N 0 1 392.200 3.432 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)s1 ZINC000280201894 565659190 /nfs/dbraw/zinc/65/91/90/565659190.db2.gz FAQMLFPYNBCSIB-WBVHZDCISA-N 0 1 377.535 3.065 20 0 GGADMN CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(Br)cn2)cc1 ZINC000280237408 565660074 /nfs/dbraw/zinc/66/00/74/565660074.db2.gz ASQVTABQPKCUPW-WBMJQRKESA-N 0 1 393.281 3.137 20 0 GGADMN CN(CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174787792 565660168 /nfs/dbraw/zinc/66/01/68/565660168.db2.gz ROCHOHLYKYDLNF-HOTGVXAUSA-N 0 1 390.908 3.095 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)sc1Br ZINC000329250410 565661100 /nfs/dbraw/zinc/66/11/00/565661100.db2.gz XQXHWQSWQMCQMU-QWRGUYRKSA-N 0 1 397.360 3.086 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N4CCCC4)[C@@H]3C)s2)cs1 ZINC000329243052 565661146 /nfs/dbraw/zinc/66/11/46/565661146.db2.gz SQGFIUZOUURBIF-SWLSCSKDSA-N 0 1 397.591 3.427 20 0 GGADMN CC[C@H](NCc1cccc(OC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280251451 565661276 /nfs/dbraw/zinc/66/12/76/565661276.db2.gz IYTMOGTYFOCMSM-KRWDZBQOSA-N 0 1 382.913 3.498 20 0 GGADMN Cc1cccc(CCN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n1 ZINC000280245562 565661594 /nfs/dbraw/zinc/66/15/94/565661594.db2.gz WGMHYACSANNOOF-LLVKDONJSA-N 0 1 388.320 3.238 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)s1 ZINC000192140616 565662026 /nfs/dbraw/zinc/66/20/26/565662026.db2.gz UUOPGIJYSOFXGI-YOEHRIQHSA-N 0 1 386.851 3.416 20 0 GGADMN CSCCONC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000280270049 565662132 /nfs/dbraw/zinc/66/21/32/565662132.db2.gz LWJNAWVXBHFYRJ-SWLSCSKDSA-N 0 1 375.897 3.066 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCc1ccc(Cl)s1 ZINC000192140605 565662328 /nfs/dbraw/zinc/66/23/28/565662328.db2.gz UUOPGIJYSOFXGI-PBHICJAKSA-N 0 1 386.851 3.416 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(F)cc2OCC(F)(F)F)[nH]1 ZINC000174856186 565663551 /nfs/dbraw/zinc/66/35/51/565663551.db2.gz 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ZINC000174890097 565664691 /nfs/dbraw/zinc/66/46/91/565664691.db2.gz NUAIACCGAROIDL-UHFFFAOYSA-N 0 1 391.212 3.406 20 0 GGADMN O=C1[C@H](NCc2ccc(Br)c(Cl)c2)CCN1CC(F)(F)F ZINC000192167546 565664620 /nfs/dbraw/zinc/66/46/20/565664620.db2.gz FCRCBKBXAUVMJS-LLVKDONJSA-N 0 1 385.611 3.355 20 0 GGADMN Cc1nnc(SCCC(=O)NCC2(c3cccc(Br)c3)CC2)[nH]1 ZINC000174877825 565664966 /nfs/dbraw/zinc/66/49/66/565664966.db2.gz VYLDWSIZCYVWED-UHFFFAOYSA-N 0 1 395.326 3.206 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCSCc1ccccc1F ZINC000174902974 565665659 /nfs/dbraw/zinc/66/56/59/565665659.db2.gz KDWOBWSSDHDUBQ-UHFFFAOYSA-N 0 1 375.541 3.481 20 0 GGADMN CC(C)CS(=O)(=O)CCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174914199 565665843 /nfs/dbraw/zinc/66/58/43/565665843.db2.gz KISQKISRMNQQST-UHFFFAOYSA-N 0 1 398.706 3.208 20 0 GGADMN CC(C)[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCC1=O ZINC000174914011 565665856 /nfs/dbraw/zinc/66/58/56/565665856.db2.gz DOMQZEJIRGSAGH-ZDUSSCGKSA-N 0 1 389.677 3.394 20 0 GGADMN 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O=C(CS(=O)(=O)C1CCCC1)Nc1cc(Cl)cc(Br)c1O ZINC000174921696 565667642 /nfs/dbraw/zinc/66/76/42/565667642.db2.gz RTGGZLZYCHXIHE-UHFFFAOYSA-N 0 1 396.690 3.104 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000174915450 565667670 /nfs/dbraw/zinc/66/76/70/565667670.db2.gz PNBXDBYFDFEYFV-UHFFFAOYSA-N 0 1 376.251 3.242 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000174916264 565667734 /nfs/dbraw/zinc/66/77/34/565667734.db2.gz FMSYKKRSFONJTK-JTQLQIEISA-N 0 1 394.269 3.129 20 0 GGADMN CNC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000174924659 565667772 /nfs/dbraw/zinc/66/77/72/565667772.db2.gz CUPPYLYBLWPFMZ-UHFFFAOYSA-N 0 1 383.629 3.420 20 0 GGADMN O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000329570862 565670931 /nfs/dbraw/zinc/67/09/31/565670931.db2.gz ITMMBCKRDGQKHP-UKRRQHHQSA-N 0 1 388.327 3.220 20 0 GGADMN OC[C@H](CNCc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCOC1 ZINC000280404698 565671011 /nfs/dbraw/zinc/67/10/11/565671011.db2.gz YBTMTBYJZOMSQK-KGLIPLIRSA-N 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COCc1nc([C@H]2CCCCN2C(=O)c2cscc2Br)n[nH]1 ZINC000329604148 565673067 /nfs/dbraw/zinc/67/30/67/565673067.db2.gz LRAULHZTNZXWOJ-LLVKDONJSA-N 0 1 385.287 3.143 20 0 GGADMN Brc1ccc2nc(CN3CCC(Cn4ccnn4)CC3)oc2c1 ZINC000329615365 565673214 /nfs/dbraw/zinc/67/32/14/565673214.db2.gz KWWINJRMYNFXFC-UHFFFAOYSA-N 0 1 376.258 3.094 20 0 GGADMN O=S1(=O)CCCC[C@H]1CN[C@@H]1CCCOc2c(Br)cccc21 ZINC000329624981 565674117 /nfs/dbraw/zinc/67/41/17/565674117.db2.gz VCCUHEPMIRCOQH-SWLSCSKDSA-N 0 1 388.327 3.220 20 0 GGADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)o1 ZINC000175020734 565674660 /nfs/dbraw/zinc/67/46/60/565674660.db2.gz DVGMMXBWJFGIFJ-UHFFFAOYSA-N 0 1 392.202 3.159 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000175027697 565675134 /nfs/dbraw/zinc/67/51/34/565675134.db2.gz RWGHGJHGIZVOGG-QWRGUYRKSA-N 0 1 383.315 3.009 20 0 GGADMN C[C@@]12CCCN1C[C@H](c1noc(-c3n[nH]c(C4CC4)c3Br)n1)OC2 ZINC000329657978 565675810 /nfs/dbraw/zinc/67/58/10/565675810.db2.gz HAYQKENGOHVLKQ-HWPZZCPQSA-N 0 1 394.273 3.025 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000175055634 565675944 /nfs/dbraw/zinc/67/59/44/565675944.db2.gz JFRFJWYGDCANRX-JTQLQIEISA-N 0 1 384.527 3.075 20 0 GGADMN C[C@H](NCCC(=O)Nc1cc(N)ccc1F)c1ccc(Br)cn1 ZINC000280512765 565676389 /nfs/dbraw/zinc/67/63/89/565676389.db2.gz NRHJPEVPFKZFDV-JTQLQIEISA-N 0 1 381.249 3.245 20 0 GGADMN O=C(CSc1n[n-]c(=S)s1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000175043873 565676341 /nfs/dbraw/zinc/67/63/41/565676341.db2.gz PPHLHWSZIIYCAM-UHFFFAOYSA-N 0 1 386.612 3.407 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1)Nc1cc2ccc(Br)cn2n1 ZINC000410327027 565676664 /nfs/dbraw/zinc/67/66/64/565676664.db2.gz RCLPLILXGPLQBZ-UHFFFAOYSA-N 0 1 384.230 3.178 20 0 GGADMN CN(C1CCCCC1)S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000329740565 565678271 /nfs/dbraw/zinc/67/82/71/565678271.db2.gz OATFAIGUVOTMER-QAPCUYQASA-N 0 1 385.599 3.230 20 0 GGADMN CC1(C)CN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@H]1[C@H]1CCCO1 ZINC000329722401 565678313 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CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410361604 565679682 /nfs/dbraw/zinc/67/96/82/565679682.db2.gz AWHUUWGUMQNPTK-UHFFFAOYSA-N 0 1 382.869 3.337 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)cn1 ZINC000410355569 565679719 /nfs/dbraw/zinc/67/97/19/565679719.db2.gz RKHXJQCFNNZZEL-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN C[S@@](=O)C1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CCC1 ZINC000280548183 565680299 /nfs/dbraw/zinc/68/02/99/565680299.db2.gz DPBOJJFWNDTJSK-JOCHJYFZSA-N 0 1 382.327 3.230 20 0 GGADMN Clc1cc(Cl)cc(-c2n[nH]c(SCc3nnc4n3CCOC4)n2)c1 ZINC000280548682 565680454 /nfs/dbraw/zinc/68/04/54/565680454.db2.gz IYBDJKSQMTWTGN-UHFFFAOYSA-N 0 1 383.264 3.193 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)CC(=O)Nc2cccc(F)c2)s1 ZINC000280594018 565682194 /nfs/dbraw/zinc/68/21/94/565682194.db2.gz NKAOSUVUXJAFKT-GFCCVEGCSA-N 0 1 384.498 3.188 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2SC)cc1OC ZINC000410402357 565683125 /nfs/dbraw/zinc/68/31/25/565683125.db2.gz ZQPGEEUFUDFUBM-UHFFFAOYSA-N 0 1 381.475 3.313 20 0 GGADMN C[C@H](CO)N(CC(=O)Nc1c(F)cc(F)cc1Br)CC1CCC1 ZINC000280606534 565683880 /nfs/dbraw/zinc/68/38/80/565683880.db2.gz VNOYMYJDHVQEQU-SNVBAGLBSA-N 0 1 391.256 3.149 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)s1 ZINC000280603298 565683963 /nfs/dbraw/zinc/68/39/63/565683963.db2.gz OHPAIWBGQHZYPI-KBPBESRZSA-N 0 1 388.555 3.077 20 0 GGADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000329936710 565685464 /nfs/dbraw/zinc/68/54/64/565685464.db2.gz RQZVMZYMMFZWRE-OLZOCXBDSA-N 0 1 377.539 3.087 20 0 GGADMN C[S@@](=O)C1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CCC1 ZINC000280639242 565686031 /nfs/dbraw/zinc/68/60/31/565686031.db2.gz MZTXTJAOVNUJOK-JOCHJYFZSA-N 0 1 382.327 3.230 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H](C2CC2)O1 ZINC000329920920 565686107 /nfs/dbraw/zinc/68/61/07/565686107.db2.gz HDQNQKRAZDEHCS-PIGZYNQJSA-N 0 1 390.281 3.479 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H](C2CC2)O1 ZINC000329920717 565686261 /nfs/dbraw/zinc/68/62/61/565686261.db2.gz HDQNQKRAZDEHCS-APPDUMDISA-N 0 1 390.281 3.479 20 0 GGADMN COC(=O)c1cccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c1Br ZINC000192424539 565689885 /nfs/dbraw/zinc/68/98/85/565689885.db2.gz FNXTVKUUFQVNSE-AWEZNQCLSA-N 0 1 398.301 3.040 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(C)cc2Br)CCN1C[C@@H](C)O ZINC000175298058 565691919 /nfs/dbraw/zinc/69/19/19/565691919.db2.gz UMJRIPSRQVVZAF-KGLIPLIRSA-N 0 1 384.318 3.066 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000280744624 565692124 /nfs/dbraw/zinc/69/21/24/565692124.db2.gz SJRVILFJANIKMV-OIBJUYFYSA-N 0 1 375.903 3.384 20 0 GGADMN CC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000330086693 565692113 /nfs/dbraw/zinc/69/21/13/565692113.db2.gz SIUAPPRTCYLXBV-RKVPGOIHSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@]2(CCCOC2)O1 ZINC000330105018 565692123 /nfs/dbraw/zinc/69/21/23/565692123.db2.gz HYYYNKZAUJGTDP-LBTNJELSSA-N 0 1 390.307 3.003 20 0 GGADMN Cc1ccc([C@H](NC[C@@H](O)c2ccccc2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280735126 565692461 /nfs/dbraw/zinc/69/24/61/565692461.db2.gz HLMZASWJXBQBLO-NIKGAXFTSA-N 0 1 381.925 3.446 20 0 GGADMN C[C@]1(O)CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000280741796 565692493 /nfs/dbraw/zinc/69/24/93/565692493.db2.gz ZTIAOQZBWCBGDB-KRWDZBQOSA-N 0 1 378.270 3.216 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000175307615 565692653 /nfs/dbraw/zinc/69/26/53/565692653.db2.gz UZWCGUVUJVWKRK-LKFCYVNXSA-N 0 1 384.267 3.264 20 0 GGADMN CC[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000330086691 565692823 /nfs/dbraw/zinc/69/28/23/565692823.db2.gz SIUAPPRTCYLXBV-HDMKZQKVSA-N 0 1 390.307 3.003 20 0 GGADMN COC[C@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)c1ccco1 ZINC000175354328 565694801 /nfs/dbraw/zinc/69/48/01/565694801.db2.gz IIBLUUPJIMYGNY-NSHDSACASA-N 0 1 380.249 3.261 20 0 GGADMN C[C@H](CNC(=O)[C@](C)(N)c1ccccc1)Oc1ccccc1Br ZINC000192497067 565695732 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CC(C)OCCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000175450699 565700880 /nfs/dbraw/zinc/70/08/80/565700880.db2.gz SWZIBGMJUDUMLU-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN OC[C@H](CN[C@@H](c1ccco1)c1ccc(Br)cc1)[C@H]1CCOC1 ZINC000280885939 565701064 /nfs/dbraw/zinc/70/10/64/565701064.db2.gz OQOFFSHTEOXBIE-RLFYNMQTSA-N 0 1 380.282 3.366 20 0 GGADMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccc(I)cc1 ZINC000192609173 565701839 /nfs/dbraw/zinc/70/18/39/565701839.db2.gz DCUDRMHEHHAELC-RYUDHWBXSA-N 0 1 395.244 3.364 20 0 GGADMN CCOCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000192634025 565702727 /nfs/dbraw/zinc/70/27/27/565702727.db2.gz POFOKCXOPDACLB-STQMWFEESA-N 0 1 387.318 3.040 20 0 GGADMN CCOCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000192634058 565702764 /nfs/dbraw/zinc/70/27/64/565702764.db2.gz POFOKCXOPDACLB-OLZOCXBDSA-N 0 1 387.318 3.040 20 0 GGADMN CCn1cc(Br)cc1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000192684367 565705226 /nfs/dbraw/zinc/70/52/26/565705226.db2.gz PVXJKHVTQFGUPA-KRWDZBQOSA-N 0 1 394.313 3.312 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CNC(C)(C)c1cccc(Cl)c1 ZINC000280980910 565706327 /nfs/dbraw/zinc/70/63/27/565706327.db2.gz CXQGBQOKXDWWMC-UHFFFAOYSA-N 0 1 383.945 3.223 20 0 GGADMN CC[C@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280990937 565706683 /nfs/dbraw/zinc/70/66/83/565706683.db2.gz WXBMBODSKUHWPV-DLBZAZTESA-N 0 1 382.913 3.022 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@]1(C)CCCO1 ZINC000411045418 565707159 /nfs/dbraw/zinc/70/71/59/565707159.db2.gz CZJPFLVVUXGCHG-FZKQIMNGSA-N 0 1 396.329 3.097 20 0 GGADMN C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000330488004 565708961 /nfs/dbraw/zinc/70/89/61/565708961.db2.gz HUXGAIBUBNMYJF-MRVPVSSYSA-N 0 1 389.677 3.442 20 0 GGADMN CSc1ncc(Cl)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000192772386 565709914 /nfs/dbraw/zinc/70/99/14/565709914.db2.gz NIJCBLXWQPXUOB-LBPRGKRZSA-N 0 1 382.942 3.480 20 0 GGADMN CC(C)[C@H](C(=O)Nc1cc(Br)cc(Cl)c1O)N1CCCC1=O ZINC000330505568 565710418 /nfs/dbraw/zinc/71/04/18/565710418.db2.gz KLCMMXGVDLRTFF-CYBMUJFWSA-N 0 1 389.677 3.394 20 0 GGADMN CNC(=O)[C@@]1(C)CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000281077894 565710764 /nfs/dbraw/zinc/71/07/64/565710764.db2.gz LEYSIYZZTIQGQX-KRWDZBQOSA-N 0 1 378.270 3.062 20 0 GGADMN CSc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)ccc1Cl ZINC000411122531 565712997 /nfs/dbraw/zinc/71/29/97/565712997.db2.gz AMTPJPLWIRFREH-CYBMUJFWSA-N 0 1 397.953 3.481 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)c(Br)cn2)ccc1C ZINC000175655996 565713620 /nfs/dbraw/zinc/71/36/20/565713620.db2.gz VTYAVOCDQZNOTJ-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(I)c(C)n2)c1 ZINC000175666461 565714567 /nfs/dbraw/zinc/71/45/67/565714567.db2.gz RYERVCAZXQIAQC-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cc1 ZINC000175656912 565714957 /nfs/dbraw/zinc/71/49/57/565714957.db2.gz VKAMIBHSIYJORV-UHFFFAOYSA-N 0 1 398.282 3.302 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@H](C)c1ccc(Br)cc1 ZINC000192851020 565715188 /nfs/dbraw/zinc/71/51/88/565715188.db2.gz FNANDKPQKRMCSO-CYBMUJFWSA-N 0 1 377.282 3.425 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)c3cc4sc(N5CCCC5)nc4s3)[C@@H]2C1 ZINC000281174866 565715377 /nfs/dbraw/zinc/71/53/77/565715377.db2.gz LLWOMRNJTQVWOY-QWHCGFSZSA-N 0 1 376.551 3.124 20 0 GGADMN Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)COC2CCOCC2)ccc1Br ZINC000281189194 565716888 /nfs/dbraw/zinc/71/68/88/565716888.db2.gz RGUSABBPDDMJNH-LPHOPBHVSA-N 0 1 398.341 3.451 20 0 GGADMN Cc1cc([C@@H]2CCCN2C[C@H](O)COC2CCOCC2)ccc1Br ZINC000281189194 565716893 /nfs/dbraw/zinc/71/68/93/565716893.db2.gz RGUSABBPDDMJNH-LPHOPBHVSA-N 0 1 398.341 3.451 20 0 GGADMN COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281224084 565718796 /nfs/dbraw/zinc/71/87/96/565718796.db2.gz BWBYYCFCBAYNFQ-UHFFFAOYSA-N 0 1 384.885 3.220 20 0 GGADMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000192939574 565719875 /nfs/dbraw/zinc/71/98/75/565719875.db2.gz UIKPMGGENXPXRU-QGZVFWFLSA-N 0 1 380.941 3.410 20 0 GGADMN COc1cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1SC ZINC000281276296 565720958 /nfs/dbraw/zinc/72/09/58/565720958.db2.gz ODOGHEKISYQJBY-UHFFFAOYSA-N 0 1 376.444 3.308 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000175757270 565721360 /nfs/dbraw/zinc/72/13/60/565721360.db2.gz YEHFRNOTTSWMBM-GFCCVEGCSA-N 0 1 387.265 3.198 20 0 GGADMN CSc1ccc(OC[C@H](O)CN(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000411339985 565725051 /nfs/dbraw/zinc/72/50/51/565725051.db2.gz ZPMXQQSSEAOVKY-PUAOIOHZSA-N 0 1 379.547 3.018 20 0 GGADMN COC(=O)CN(CCC(=O)Nc1ccccc1Br)C1CCCC1 ZINC000411340548 565725437 /nfs/dbraw/zinc/72/54/37/565725437.db2.gz APSZQOVENUDUKP-UHFFFAOYSA-N 0 1 383.286 3.195 20 0 GGADMN O=C([C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000175848192 565726874 /nfs/dbraw/zinc/72/68/74/565726874.db2.gz HOBAFKFQQPACIF-ROUUACIJSA-N 0 1 383.319 3.420 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1cccs1)N1CCc2sccc2C1 ZINC000175850387 565727352 /nfs/dbraw/zinc/72/73/52/565727352.db2.gz JYUDXBMJGCUMDV-CVEARBPZSA-N 0 1 376.547 3.282 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN(C2CCOCC2)CC1 ZINC000281393309 565728120 /nfs/dbraw/zinc/72/81/20/565728120.db2.gz VJVLGRKQJFJZIS-UHFFFAOYSA-N 0 1 376.259 3.461 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000175863636 565729362 /nfs/dbraw/zinc/72/93/62/565729362.db2.gz FRQHMFQYOPWARA-JKSUJKDBSA-N 0 1 383.319 3.420 20 0 GGADMN CCCN(CCc1cccs1)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281410867 565729733 /nfs/dbraw/zinc/72/97/33/565729733.db2.gz XECUEGJATLGXJE-UHFFFAOYSA-N 0 1 383.583 3.061 20 0 GGADMN CSc1cc(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)ccc1Cl ZINC000411467697 565731755 /nfs/dbraw/zinc/73/17/55/565731755.db2.gz BNGQMZARSVUZBU-CQSZACIVSA-N 0 1 381.929 3.134 20 0 GGADMN O=C(CN[C@H](CO)c1ccc(Br)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411499197 565732014 /nfs/dbraw/zinc/73/20/14/565732014.db2.gz CILSIESWZKDEJW-JQHSSLGASA-N 0 1 395.341 3.253 20 0 GGADMN CC(C)[C@H](NCc1cccc(Br)c1Cl)C(=O)N1CCOCC1 ZINC000411479623 565732589 /nfs/dbraw/zinc/73/25/89/565732589.db2.gz ZSJCTLQIGVYFEA-HNNXBMFYSA-N 0 1 389.721 3.076 20 0 GGADMN O=C(CN[C@H](CO)c1ccc(Br)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000411499199 565732830 /nfs/dbraw/zinc/73/28/30/565732830.db2.gz CILSIESWZKDEJW-KBAYOESNSA-N 0 1 395.341 3.253 20 0 GGADMN COCc1nc2cc(NS(=O)(=O)c3cc(OC)ccc3Cl)ccc2o1 ZINC000175921575 565733578 /nfs/dbraw/zinc/73/35/78/565733578.db2.gz AAPOOURJYFBPMY-UHFFFAOYSA-N 0 1 382.825 3.437 20 0 GGADMN O=c1nc(C[NH2+][C@@H](CCO)c2ccccc2Br)[n-]c2ccsc21 ZINC000411515591 565733862 /nfs/dbraw/zinc/73/38/62/565733862.db2.gz ZRXIJXWQLSRVKD-LBPRGKRZSA-N 0 1 394.294 3.373 20 0 GGADMN NC(=O)[C@@H]1CCCC[C@H]1NCc1c(F)c(F)c(Br)c(F)c1F ZINC000411542063 565734256 /nfs/dbraw/zinc/73/42/56/565734256.db2.gz PNXAEAIAECETKT-HTRCEHHLSA-N 0 1 383.183 3.139 20 0 GGADMN O=S(=O)(CCSc1nc(C2CC2)n[nH]1)c1cccc(Br)c1 ZINC000175936622 565734774 /nfs/dbraw/zinc/73/47/74/565734774.db2.gz NLLATGAXWMHNPI-UHFFFAOYSA-N 0 1 388.312 3.011 20 0 GGADMN O=S(=O)(CCSc1n[nH]c(C2CC2)n1)c1cccc(Br)c1 ZINC000175936622 565734778 /nfs/dbraw/zinc/73/47/78/565734778.db2.gz NLLATGAXWMHNPI-UHFFFAOYSA-N 0 1 388.312 3.011 20 0 GGADMN O[C@@H](COCc1cccs1)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193159839 565735914 /nfs/dbraw/zinc/73/59/14/565735914.db2.gz NCMOMHMAJJXCRI-OAHLLOKOSA-N 0 1 381.925 3.263 20 0 GGADMN COCCCNC(=O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000411576450 565736587 /nfs/dbraw/zinc/73/65/87/565736587.db2.gz ZFIMHMPMSLYHPA-MRXNPFEDSA-N 0 1 387.293 3.172 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cnc(-c3ccco3)s2)c(C)s1 ZINC000193173344 565736844 /nfs/dbraw/zinc/73/68/44/565736844.db2.gz NTGILGCVJMTNPZ-UHFFFAOYSA-N 0 1 397.547 3.150 20 0 GGADMN C[C@H](C(=O)NC(C)(C)C)N(C)CCC(=O)Nc1ccccc1Br ZINC000411561601 565737061 /nfs/dbraw/zinc/73/70/61/565737061.db2.gz MOUPSTHQBSSCDD-GFCCVEGCSA-N 0 1 384.318 3.013 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2c[nH]c3ncc(Br)cc23)n[nH]1 ZINC000281563120 565737072 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CN1CCN(c2cc(CNC(=O)c3c(Cl)cccc3Cl)ccn2)CC1 ZINC000176035127 565742183 /nfs/dbraw/zinc/74/21/83/565742183.db2.gz ARXVHBZRRPZSAL-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2Br)n[nH]1 ZINC000331156497 565742266 /nfs/dbraw/zinc/74/22/66/565742266.db2.gz PZLGOLHRTDKFGK-RKDXNWHRSA-N 0 1 383.294 3.418 20 0 GGADMN CSc1cccc(F)c1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281718854 565743241 /nfs/dbraw/zinc/74/32/41/565743241.db2.gz NFVPRWNBESRPGT-UHFFFAOYSA-N 0 1 378.391 3.078 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(c2nc3[nH]ncc3c(=O)[nH]2)CC1 ZINC000281726821 565744473 /nfs/dbraw/zinc/74/44/73/565744473.db2.gz VVKBSPRHCLVVNL-UHFFFAOYSA-N 0 1 388.269 3.379 20 0 GGADMN O=C(CCN[C@@H](CO)c1cccc(Cl)c1F)NCc1ccccc1Cl ZINC000411670027 565744783 /nfs/dbraw/zinc/74/47/83/565744783.db2.gz KCMJTDMALIQEAZ-INIZCTEOSA-N 0 1 385.266 3.462 20 0 GGADMN Brc1ccc(CN(CCc2cncs2)CCn2ccnc2)o1 ZINC000411722164 565747761 /nfs/dbraw/zinc/74/77/61/565747761.db2.gz QGAFLQLIQRUPNJ-UHFFFAOYSA-N 0 1 381.299 3.440 20 0 GGADMN CN(c1ccccc1)C1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000176090622 565747812 /nfs/dbraw/zinc/74/78/12/565747812.db2.gz VCGKTQRCJTUIIK-UHFFFAOYSA-N 0 1 380.564 3.420 20 0 GGADMN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176102114 565748869 /nfs/dbraw/zinc/74/88/69/565748869.db2.gz DKZQBTFSINCOTR-LSDHHAIUSA-N 0 1 382.957 3.493 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N(C)c1ccccc1 ZINC000411763175 565750441 /nfs/dbraw/zinc/75/04/41/565750441.db2.gz UOXNXECPSLLNPH-DYVFJYSZSA-N 0 1 377.282 3.124 20 0 GGADMN O=C1[C@@H](N[C@@H](CO)c2ccc(Br)cc2)CCN1c1ccc(F)cc1 ZINC000411756114 565750696 /nfs/dbraw/zinc/75/06/96/565750696.db2.gz JXNPUPJUMVAZCJ-IRXDYDNUSA-N 0 1 393.256 3.017 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000331296927 565752488 /nfs/dbraw/zinc/75/24/88/565752488.db2.gz CVKXGUFRWIDJGZ-SECBINFHSA-N 0 1 377.306 3.374 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(Br)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000331298070 565753249 /nfs/dbraw/zinc/75/32/49/565753249.db2.gz PDNIGDGWSBUDJJ-UWVGGRQHSA-N 0 1 388.331 3.324 20 0 GGADMN COc1cc(Br)ccc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176144370 565753555 /nfs/dbraw/zinc/75/35/55/565753555.db2.gz KZFHDIRHDLMNOK-UHFFFAOYSA-N 0 1 392.228 3.446 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)sc1Br ZINC000176170111 565754652 /nfs/dbraw/zinc/75/46/52/565754652.db2.gz DDERRSFVAGBZOJ-SNVBAGLBSA-N 0 1 389.296 3.016 20 0 GGADMN O=c1[nH]c(N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)nc2[nH]ncc21 ZINC000281946450 565756311 /nfs/dbraw/zinc/75/63/11/565756311.db2.gz JHTFDEJYGAHWPB-KYZUINATSA-N 0 1 378.205 3.318 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000176198543 565757570 /nfs/dbraw/zinc/75/75/70/565757570.db2.gz NBSNOLYUNCJPQF-LLVKDONJSA-N 0 1 389.474 3.171 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000331376457 565757745 /nfs/dbraw/zinc/75/77/45/565757745.db2.gz CDPLWFFCSPTNGR-FZMZJTMJSA-N 0 1 378.270 3.442 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cnc(-c2ccccc2)s1 ZINC000193507140 565757750 /nfs/dbraw/zinc/75/77/50/565757750.db2.gz PUJYZKJWVBIFPD-MRXNPFEDSA-N 0 1 379.551 3.104 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cc(F)c(Br)cc2Cl)n1 ZINC000281981267 565758205 /nfs/dbraw/zinc/75/82/05/565758205.db2.gz OTVHOBJUMLJGMS-UHFFFAOYSA-N 0 1 376.617 3.032 20 0 GGADMN C[C@H]1CN(c2ccccc2NS(=O)(=O)c2cncc(Cl)c2)C[C@H](C)O1 ZINC000331405247 565758338 /nfs/dbraw/zinc/75/83/38/565758338.db2.gz OIZLYHDWDFYGBY-STQMWFEESA-N 0 1 381.885 3.149 20 0 GGADMN O=C(NCCC[C@H]1CCCC[C@H]1O)c1n[nH]c2ccc(Br)cc21 ZINC000331398615 565758655 /nfs/dbraw/zinc/75/86/55/565758655.db2.gz OKLJDAGHMZQCME-IAQYHMDHSA-N 0 1 380.286 3.387 20 0 GGADMN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cncc(Cl)c2)C[C@H](C)O1 ZINC000331405242 565758756 /nfs/dbraw/zinc/75/87/56/565758756.db2.gz OIZLYHDWDFYGBY-BETUJISGSA-N 0 1 381.885 3.149 20 0 GGADMN O=C(NCCC[C@@H]1CCCC[C@H]1O)c1n[nH]c2ccc(Br)cc21 ZINC000331398618 565758895 /nfs/dbraw/zinc/75/88/95/565758895.db2.gz OKLJDAGHMZQCME-XHDPSFHLSA-N 0 1 380.286 3.387 20 0 GGADMN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cncc(Cl)c2)C[C@@H](C)O1 ZINC000331405245 565758955 /nfs/dbraw/zinc/75/89/55/565758955.db2.gz OIZLYHDWDFYGBY-CHWSQXEVSA-N 0 1 381.885 3.149 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(Cl)s3)n2)c(OC)c1 ZINC000193540424 565759386 /nfs/dbraw/zinc/75/93/86/565759386.db2.gz HVDZWFHZSBBNEW-UHFFFAOYSA-N 0 1 378.841 3.385 20 0 GGADMN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)c1Br ZINC000331466367 565760771 /nfs/dbraw/zinc/76/07/71/565760771.db2.gz BWTOCYFFYAPKMW-KGLIPLIRSA-N 0 1 391.313 3.123 20 0 GGADMN CN(C)C(=O)[C@@H]1CCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000411931330 565761260 /nfs/dbraw/zinc/76/12/60/565761260.db2.gz HWISIYJYYCCMAH-CYBMUJFWSA-N 0 1 394.338 3.483 20 0 GGADMN CN(C)C(=O)[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000411947615 565761315 /nfs/dbraw/zinc/76/13/15/565761315.db2.gz UDZQCSIVEKYJDA-ZDUSSCGKSA-N 0 1 378.270 3.014 20 0 GGADMN O=C(/C=C/c1cc(Br)cs1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282054757 565762791 /nfs/dbraw/zinc/76/27/91/565762791.db2.gz AUXGZEXJWLWZNL-XGACYXMMSA-N 0 1 399.354 3.095 20 0 GGADMN CN(C)C(=O)[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411953322 565763442 /nfs/dbraw/zinc/76/34/42/565763442.db2.gz YXXYDMHLQQZUMX-LBPRGKRZSA-N 0 1 378.270 3.014 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CCc1nc[nH]n1 ZINC000331521486 565764343 /nfs/dbraw/zinc/76/43/43/565764343.db2.gz MUNQFFJSLVDBTD-BJOHPYRUSA-N 0 1 381.299 3.099 20 0 GGADMN O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000176318063 565764337 /nfs/dbraw/zinc/76/43/37/565764337.db2.gz RYIKGSAHEYGLQQ-CYBMUJFWSA-N 0 1 380.564 3.074 20 0 GGADMN OCC1([C@H](NCc2ccc(Br)cn2)c2ccccc2)CCOCC1 ZINC000412004939 565764352 /nfs/dbraw/zinc/76/43/52/565764352.db2.gz ADNIQOCNRVYIOR-GOSISDBHSA-N 0 1 391.309 3.464 20 0 GGADMN CC(C)(CN1CCOCC1)NCc1ncc(-c2cccc(Br)c2)o1 ZINC000412003484 565764738 /nfs/dbraw/zinc/76/47/38/565764738.db2.gz PSCBUDLRJAVFAK-UHFFFAOYSA-N 0 1 394.313 3.305 20 0 GGADMN CC(C)(CN1CCOCC1)NCc1coc(-c2ccc(Br)cc2)n1 ZINC000412005769 565764806 /nfs/dbraw/zinc/76/48/06/565764806.db2.gz UWVPIQVXDDXUQQ-UHFFFAOYSA-N 0 1 394.313 3.305 20 0 GGADMN C[C@H](N[C@H](CO)[C@@H]1CCCOC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000411989629 565764836 /nfs/dbraw/zinc/76/48/36/565764836.db2.gz HUOJZTQQGHUZAL-FIXISWKDSA-N 0 1 386.279 3.482 20 0 GGADMN C[C@H](N[C@@H](CO)[C@@H]1CCCOC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000411994542 565765007 /nfs/dbraw/zinc/76/50/07/565765007.db2.gz NSTUGYRHUGLNFZ-NVBFEUDRSA-N 0 1 386.279 3.482 20 0 GGADMN CC(C)(CN1CCOCC1)NCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000412002992 565765037 /nfs/dbraw/zinc/76/50/37/565765037.db2.gz NWVKOWPTGZNBIO-UHFFFAOYSA-N 0 1 385.295 3.244 20 0 GGADMN C[C@H](N[C@H](CO)[C@H]1CCCOC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000411989639 565765299 /nfs/dbraw/zinc/76/52/99/565765299.db2.gz HUOJZTQQGHUZAL-ZIBATOQPSA-N 0 1 386.279 3.482 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000176330525 565765933 /nfs/dbraw/zinc/76/59/33/565765933.db2.gz JPEWSAOFLHCXRT-LLVKDONJSA-N 0 1 384.527 3.217 20 0 GGADMN OCC1([C@@H](NCc2cncc(Br)c2)c2ccccc2)CCOCC1 ZINC000412012122 565766271 /nfs/dbraw/zinc/76/62/71/565766271.db2.gz QISMPWYYPCXAEV-SFHVURJKSA-N 0 1 391.309 3.464 20 0 GGADMN O=C(CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000412034625 565766426 /nfs/dbraw/zinc/76/64/26/565766426.db2.gz DGQXOUANNJNNCX-GMXVVIOVSA-N 0 1 376.806 3.390 20 0 GGADMN O=S(=O)(C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCCC1 ZINC000282149884 565767099 /nfs/dbraw/zinc/76/70/99/565767099.db2.gz LBMLYBYVDKLSGM-UHFFFAOYSA-N 0 1 376.444 3.095 20 0 GGADMN Cc1n[nH]c([C@H]2CCN(Cc3c(F)c(F)c(Br)c(F)c3F)C2)n1 ZINC000412049973 565767749 /nfs/dbraw/zinc/76/77/49/565767749.db2.gz ZPIPKJVGWKWLTK-ZETCQYMHSA-N 0 1 393.182 3.422 20 0 GGADMN Cc1nnc([C@H]2CCN(Cc3c(F)c(F)c(Br)c(F)c3F)C2)[nH]1 ZINC000412049973 565767752 /nfs/dbraw/zinc/76/77/52/565767752.db2.gz ZPIPKJVGWKWLTK-ZETCQYMHSA-N 0 1 393.182 3.422 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)N=c2nc(-c3sccc3C)[n-]s2)[C@@H](C)C1 ZINC000331569837 565768050 /nfs/dbraw/zinc/76/80/50/565768050.db2.gz LPUUPOVRHFQKAZ-QWHCGFSZSA-N 0 1 379.555 3.191 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3cc4c(cc3Br)OCCCO4)C[C@@H]2C1 ZINC000412053110 565768151 /nfs/dbraw/zinc/76/81/51/565768151.db2.gz ZAMDPHDKOXAGAQ-VNHYZAJKSA-N 0 1 382.298 3.203 20 0 GGADMN CNC(=O)NC1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000412053702 565768663 /nfs/dbraw/zinc/76/86/63/565768663.db2.gz JAWSOJNVPGUGKK-UHFFFAOYSA-N 0 1 376.298 3.496 20 0 GGADMN CC(C)(C)c1nc(CN2CCO[C@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000331587413 565768967 /nfs/dbraw/zinc/76/89/67/565768967.db2.gz MQIGNSFDQWOAMY-AWEZNQCLSA-N 0 1 379.302 3.438 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000176421968 565770166 /nfs/dbraw/zinc/77/01/66/565770166.db2.gz XDDZYTJJRXPJPS-CYBMUJFWSA-N 0 1 394.591 3.416 20 0 GGADMN O=C(CNC(=O)c1cc(F)cc2nc[nH]c21)Nc1cc(Cl)ccc1Cl ZINC000193697098 565770279 /nfs/dbraw/zinc/77/02/79/565770279.db2.gz CCLBGSVVQYMHNV-UHFFFAOYSA-N 0 1 381.194 3.377 20 0 GGADMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)NCc1ccc(Cl)s1 ZINC000193736746 565772284 /nfs/dbraw/zinc/77/22/84/565772284.db2.gz QJJYLGYFIMKJCL-UHFFFAOYSA-N 0 1 380.882 3.301 20 0 GGADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1C ZINC000331633575 565772430 /nfs/dbraw/zinc/77/24/30/565772430.db2.gz NWKOFPHDAWSLFC-CYBMUJFWSA-N 0 1 381.263 3.259 20 0 GGADMN Cn1nc(-c2cccs2)nc1NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000193726775 565772797 /nfs/dbraw/zinc/77/27/97/565772797.db2.gz CFXODGWYBUMRCI-UHFFFAOYSA-N 0 1 386.861 3.278 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1cc2cc(Cl)ccc2s1 ZINC000176440797 565773098 /nfs/dbraw/zinc/77/30/98/565773098.db2.gz UIDZHUPSDCUXIU-UHFFFAOYSA-N 0 1 391.865 3.331 20 0 GGADMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1Br ZINC000331655030 565774253 /nfs/dbraw/zinc/77/42/53/565774253.db2.gz WEBNFGRSGZUWJW-YGRLFVJLSA-N 0 1 396.260 3.476 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)CCc1cnc[nH]1 ZINC000193778500 565774653 /nfs/dbraw/zinc/77/46/53/565774653.db2.gz IZNWHFVSYXFEMM-UHFFFAOYSA-N 0 1 382.258 3.159 20 0 GGADMN CO[C@H](CNC(=O)CSc1n[nH]c(=S)s1)c1cccc(Cl)c1 ZINC000176476844 565776421 /nfs/dbraw/zinc/77/64/21/565776421.db2.gz FTNSGZHRGCAITG-SNVBAGLBSA-N 0 1 375.928 3.450 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1Br ZINC000331723759 565780076 /nfs/dbraw/zinc/78/00/76/565780076.db2.gz LFVPHSCHGZBKDH-CYBMUJFWSA-N 0 1 377.286 3.451 20 0 GGADMN C[C@H](CCNC(=O)CSc1n[n-]c(=S)s1)[N@@H+](C)Cc1ccccc1 ZINC000176535811 565783211 /nfs/dbraw/zinc/78/32/11/565783211.db2.gz YIRATWXODWKXDY-GFCCVEGCSA-N 0 1 382.580 3.320 20 0 GGADMN O=c1nc([C@@H]2CCS(=O)(=O)C2)[nH]c2cc(-c3ccccc3Cl)sc21 ZINC000193924579 565783500 /nfs/dbraw/zinc/78/35/00/565783500.db2.gz VWEDEKZBFQGEER-SECBINFHSA-N 0 1 380.878 3.207 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1c(F)cccc1Br ZINC000176568986 565784623 /nfs/dbraw/zinc/78/46/23/565784623.db2.gz HRCQBEIPCUQKEI-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000331795205 565785019 /nfs/dbraw/zinc/78/50/19/565785019.db2.gz PAUGUXYZFQIUAQ-KBPBESRZSA-N 0 1 383.587 3.190 20 0 GGADMN CCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1Br ZINC000331802522 565785228 /nfs/dbraw/zinc/78/52/28/565785228.db2.gz JUJINNRFBDKIBH-SKDRFNHKSA-N 0 1 384.299 3.398 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c1Br ZINC000331821915 565786206 /nfs/dbraw/zinc/78/62/06/565786206.db2.gz PPADJPTXCPEFEY-QMTHXVAHSA-N 0 1 378.270 3.199 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1Br ZINC000331821914 565786592 /nfs/dbraw/zinc/78/65/92/565786592.db2.gz PPADJPTXCPEFEY-IINYFYTJSA-N 0 1 378.270 3.199 20 0 GGADMN Cc1ccc(I)cc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331839037 565786878 /nfs/dbraw/zinc/78/68/78/565786878.db2.gz OYZVGODHWKQKFK-CYBMUJFWSA-N 0 1 381.217 3.130 20 0 GGADMN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2O)on1 ZINC000331828160 565787022 /nfs/dbraw/zinc/78/70/22/565787022.db2.gz NJEAMUOUKADEAY-LLVKDONJSA-N 0 1 376.356 3.233 20 0 GGADMN Brc1ccc2c(c1)[C@H](NCc1cccnc1N1CCOCC1)CC2 ZINC000193973609 565787218 /nfs/dbraw/zinc/78/72/18/565787218.db2.gz AAXCVXUAOZLGHH-GOSISDBHSA-N 0 1 388.309 3.458 20 0 GGADMN CCc1nc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)sc1C ZINC000193977057 565787262 /nfs/dbraw/zinc/78/72/62/565787262.db2.gz TUKAWUXBCJLWFX-JTQLQIEISA-N 0 1 379.507 3.112 20 0 GGADMN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282597419 565787379 /nfs/dbraw/zinc/78/73/79/565787379.db2.gz WCQVYEGVXMWTNY-WCBZVUCDSA-N 0 1 398.326 3.135 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N[C@@H]1CCCc2cn[nH]c21 ZINC000282582699 565787728 /nfs/dbraw/zinc/78/77/28/565787728.db2.gz HCSWOJFBBHAYOE-CHWSQXEVSA-N 0 1 395.232 3.122 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282597410 565787741 /nfs/dbraw/zinc/78/77/41/565787741.db2.gz WCQVYEGVXMWTNY-BAGVQZLWSA-N 0 1 398.326 3.135 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000193991955 565788625 /nfs/dbraw/zinc/78/86/25/565788625.db2.gz XSTHPFJDSNAMQZ-UGSOOPFHSA-N 0 1 382.913 3.286 20 0 GGADMN Cc1cc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)c(C)cc1Br ZINC000331858769 565788886 /nfs/dbraw/zinc/78/88/86/565788886.db2.gz RTFJEAJWGSMWTE-ZDUSSCGKSA-N 0 1 384.299 3.145 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCCO[C@@H](CF)C1 ZINC000412447191 565789037 /nfs/dbraw/zinc/78/90/37/565789037.db2.gz VHXDSZLFQKGEPQ-ZDUSSCGKSA-N 0 1 382.233 3.040 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000331882947 565789092 /nfs/dbraw/zinc/78/90/92/565789092.db2.gz ITXLSMLVLBKDSM-LBPRGKRZSA-N 0 1 377.286 3.379 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1cc(Br)cn(C)c1=O)c1ccccc1 ZINC000176625253 565789482 /nfs/dbraw/zinc/78/94/82/565789482.db2.gz KGLWDVVSTMCZCL-INIZCTEOSA-N 0 1 392.297 3.169 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(Br)cc2Cl)[C@H](C)C1 ZINC000194025262 565790261 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CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C[C@H](C)c2cccc(Br)c2)C1 ZINC000332042932 565801694 /nfs/dbraw/zinc/80/16/94/565801694.db2.gz VDCDGEYIKSUUTN-XZJROXQQSA-N 0 1 379.302 3.441 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cccc2cnccc21 ZINC000176795396 565803653 /nfs/dbraw/zinc/80/36/53/565803653.db2.gz OTHZABASGHBCDC-UHFFFAOYSA-N 0 1 375.519 3.049 20 0 GGADMN CCOc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc(Cl)c1[O-] ZINC000332074277 565803826 /nfs/dbraw/zinc/80/38/26/565803826.db2.gz FASMGZHNOZBFOC-ZBFHGGJFSA-N 0 1 384.929 3.096 20 0 GGADMN Cc1ccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1Br ZINC000176796193 565804453 /nfs/dbraw/zinc/80/44/53/565804453.db2.gz DYAUWLZLMIKWTM-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1n[nH]c2ccc(Cl)cc21 ZINC000332077895 565804461 /nfs/dbraw/zinc/80/44/61/565804461.db2.gz ZZEPVHQXBHCXDG-VFZGTOFNSA-N 0 1 375.778 3.430 20 0 GGADMN CCN(CC)CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000176813934 565805089 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CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000332149844 565811085 /nfs/dbraw/zinc/81/10/85/565811085.db2.gz IMDHQUYVUUUNPH-NSHDSACASA-N 0 1 379.507 3.051 20 0 GGADMN Cc1cc([C@H](C)NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c(C)s1 ZINC000283183757 565811605 /nfs/dbraw/zinc/81/16/05/565811605.db2.gz AFCGZQNFUHBPAM-SWLSCSKDSA-N 0 1 379.551 3.023 20 0 GGADMN Cc1cc(CCC(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)ccc1Br ZINC000332159863 565812048 /nfs/dbraw/zinc/81/20/48/565812048.db2.gz JSJWEHGRJZWQSJ-ZDUSSCGKSA-N 0 1 394.269 3.185 20 0 GGADMN CC(C)N(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)[C@@H]1CCOC1 ZINC000332175760 565812377 /nfs/dbraw/zinc/81/23/77/565812377.db2.gz XEVCZECQLTWTNR-CQSZACIVSA-N 0 1 378.270 3.479 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c1Br ZINC000332177141 565812497 /nfs/dbraw/zinc/81/24/97/565812497.db2.gz ZVSJMPHHLYPZQV-GFCCVEGCSA-N 0 1 378.270 3.373 20 0 GGADMN CN(C)C(=O)[C@H](NCCOc1ccc(Br)cc1)c1ccccc1 ZINC000194407241 565812506 /nfs/dbraw/zinc/81/25/06/565812506.db2.gz VCWHKPZRLYBSEO-QGZVFWFLSA-N 0 1 377.282 3.247 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CCN1CC(C)(C)O ZINC000332176570 565813321 /nfs/dbraw/zinc/81/33/21/565813321.db2.gz CWLHIFDWAUMCRO-LLVKDONJSA-N 0 1 384.307 3.392 20 0 GGADMN CC(C)N(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)[C@H]1CCOC1 ZINC000332175758 565813344 /nfs/dbraw/zinc/81/33/44/565813344.db2.gz XEVCZECQLTWTNR-AWEZNQCLSA-N 0 1 378.270 3.479 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332183171 565814121 /nfs/dbraw/zinc/81/41/21/565814121.db2.gz NOWXGYRAHMCPKN-UWVGGRQHSA-N 0 1 386.235 3.256 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176917766 565814204 /nfs/dbraw/zinc/81/42/04/565814204.db2.gz AZMKUOFRMCHTRK-LBPRGKRZSA-N 0 1 378.270 3.312 20 0 GGADMN C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176933752 565816527 /nfs/dbraw/zinc/81/65/27/565816527.db2.gz IMJXCVJZUWZZCQ-GFCCVEGCSA-N 0 1 378.270 3.312 20 0 GGADMN C[C@H]1CSCCN1c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000176934703 565816552 /nfs/dbraw/zinc/81/65/52/565816552.db2.gz IMXWUYNJXFPHFI-NSHDSACASA-N 0 1 385.461 3.102 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176933740 565816588 /nfs/dbraw/zinc/81/65/88/565816588.db2.gz IMJXCVJZUWZZCQ-LBPRGKRZSA-N 0 1 378.270 3.312 20 0 GGADMN Cc1cccc(C(=O)Nc2cc(CN(C)C)ccn2)c1I ZINC000176931176 565816629 /nfs/dbraw/zinc/81/66/29/565816629.db2.gz PWXRMPNDYWWYPS-UHFFFAOYSA-N 0 1 395.244 3.309 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1cc(C)c(Br)s1)c1ccco1 ZINC000176967162 565819694 /nfs/dbraw/zinc/81/96/94/565819694.db2.gz MBPVFLXHFKIASP-SECBINFHSA-N 0 1 380.285 3.078 20 0 GGADMN Cc1cc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1Br ZINC000283468877 565819661 /nfs/dbraw/zinc/81/96/61/565819661.db2.gz ZKOOZWSLBKBPKE-LBPRGKRZSA-N 0 1 383.311 3.256 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2cc3c(cc2Br)CCC3)nc1C ZINC000332242971 565820043 /nfs/dbraw/zinc/82/00/43/565820043.db2.gz PUYNDAIFDLYQSP-UHFFFAOYSA-N 0 1 384.299 3.263 20 0 GGADMN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1c(O)cc(Cl)cc1Cl ZINC000177020448 565823104 /nfs/dbraw/zinc/82/31/04/565823104.db2.gz CHSQVNUEDWLCMN-UHFFFAOYSA-N 0 1 383.231 3.327 20 0 GGADMN Cc1nc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(Br)s1 ZINC000332262253 565823624 /nfs/dbraw/zinc/82/36/24/565823624.db2.gz GOGRREMXAGIEMP-UHFFFAOYSA-N 0 1 395.326 3.003 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCO[C@@H](c2cccs2)C1 ZINC000332261719 565823820 /nfs/dbraw/zinc/82/38/20/565823820.db2.gz DXMSLWGTLJWVDL-GFCCVEGCSA-N 0 1 393.408 3.235 20 0 GGADMN COC(=O)c1ccnc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000194585235 565824045 /nfs/dbraw/zinc/82/40/45/565824045.db2.gz SONRCDHVPCSBGY-UHFFFAOYSA-N 0 1 375.233 3.117 20 0 GGADMN CCCO[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000332272895 565824734 /nfs/dbraw/zinc/82/47/34/565824734.db2.gz PWEVSDOKEHQSGJ-ZDUSSCGKSA-N 0 1 381.416 3.381 20 0 GGADMN Cc1cc(NS(=O)(=O)Cc2c(F)cccc2F)ncc1Br ZINC000194599313 565825572 /nfs/dbraw/zinc/82/55/72/565825572.db2.gz BHOWIQNUBNBDCP-UHFFFAOYSA-N 0 1 377.210 3.373 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000177064416 565826455 /nfs/dbraw/zinc/82/64/55/565826455.db2.gz LHSDAPQOLICINV-UHFFFAOYSA-N 0 1 395.272 3.459 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000332297318 565826460 /nfs/dbraw/zinc/82/64/60/565826460.db2.gz KESLBRIGASWZTL-TZMCWYRMSA-N 0 1 378.274 3.332 20 0 GGADMN Cc1nnc([C@@H]2CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)[nH]1 ZINC000332297318 565826464 /nfs/dbraw/zinc/82/64/64/565826464.db2.gz KESLBRIGASWZTL-TZMCWYRMSA-N 0 1 378.274 3.332 20 0 GGADMN CCCn1c(=O)c2ccc(Cl)cc2nc1SCCN1CCCOCC1 ZINC000412981312 565827189 /nfs/dbraw/zinc/82/71/89/565827189.db2.gz GMLNNUMOXFORBD-UHFFFAOYSA-N 0 1 381.929 3.274 20 0 GGADMN CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCCN1CCCOCC1 ZINC000412987863 565828425 /nfs/dbraw/zinc/82/84/25/565828425.db2.gz ZOKYVXVZGUOIJD-UHFFFAOYSA-N 0 1 381.929 3.445 20 0 GGADMN Cc1sc2nc(SCCN3CCCOCC3)n(C(C)C)c(=O)c2c1C ZINC000412983280 565828596 /nfs/dbraw/zinc/82/85/96/565828596.db2.gz MSRCAGQVOBIESU-UHFFFAOYSA-N 0 1 381.567 3.470 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000283797728 565830041 /nfs/dbraw/zinc/83/00/41/565830041.db2.gz ACJWTIHTLYZPJL-INIZCTEOSA-N 0 1 392.301 3.259 20 0 GGADMN Cc1csc(C2(NCCOc3cccc(S(C)(=O)=O)c3)CCCC2)n1 ZINC000177171211 565833470 /nfs/dbraw/zinc/83/34/70/565833470.db2.gz YFNQWYORCBHOMB-UHFFFAOYSA-N 0 1 380.535 3.293 20 0 GGADMN C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1nnnn1-c1ccccc1 ZINC000177165264 565833588 /nfs/dbraw/zinc/83/35/88/565833588.db2.gz VDVBETVTLXOOIE-VIFPVBQESA-N 0 1 378.219 3.166 20 0 GGADMN CC(=O)c1ncc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)s1 ZINC000413095959 565834236 /nfs/dbraw/zinc/83/42/36/565834236.db2.gz ASTKIRHOTSGMBP-UHFFFAOYSA-N 0 1 378.885 3.003 20 0 GGADMN O=C(CN1CCS[C@@H]2CCCC[C@@H]21)NCCc1nc2ccccc2s1 ZINC000177200837 565834530 /nfs/dbraw/zinc/83/45/30/565834530.db2.gz RUGRBPXZNMSNKY-DOTOQJQBSA-N 0 1 375.563 3.315 20 0 GGADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000194753950 565835347 /nfs/dbraw/zinc/83/53/47/565835347.db2.gz YDKAPDWFCYPCQY-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000194753950 565835350 /nfs/dbraw/zinc/83/53/50/565835350.db2.gz YDKAPDWFCYPCQY-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)cc1 ZINC000332431825 565836849 /nfs/dbraw/zinc/83/68/49/565836849.db2.gz ZLLOBJZGWYGCAL-CMPLNLGQSA-N 0 1 380.242 3.047 20 0 GGADMN CC(C)c1cc(C(=O)N2CCN(c3cccc(Br)c3)CC2)n[nH]1 ZINC000332431477 565836935 /nfs/dbraw/zinc/83/69/35/565836935.db2.gz JCGKIMRWRWJPSY-UHFFFAOYSA-N 0 1 377.286 3.258 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000177229624 565837749 /nfs/dbraw/zinc/83/77/49/565837749.db2.gz BUUORSRWNXOSRH-UHFFFAOYSA-N 0 1 383.279 3.362 20 0 GGADMN Cc1nc([C@H](C)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)n[nH]1 ZINC000332443005 565838244 /nfs/dbraw/zinc/83/82/44/565838244.db2.gz BLPZLVOXPOPWCJ-NSHDSACASA-N 0 1 392.301 3.287 20 0 GGADMN C[C@H](CC(=O)Nc1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177260878 565839839 /nfs/dbraw/zinc/83/98/39/565839839.db2.gz UEJPKBDHJZBDGA-CQSZACIVSA-N 0 1 380.897 3.121 20 0 GGADMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCC1(F)F ZINC000332505403 565841447 /nfs/dbraw/zinc/84/14/47/565841447.db2.gz IBBPBSALSXMNEH-SECBINFHSA-N 0 1 385.208 3.408 20 0 GGADMN CCC(=O)[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332537442 565843095 /nfs/dbraw/zinc/84/30/95/565843095.db2.gz YVPRLASKGQQGQH-OAHLLOKOSA-N 0 1 391.265 3.264 20 0 GGADMN Cc1c(Cl)c(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)nc2ccccc12 ZINC000332575008 565845145 /nfs/dbraw/zinc/84/51/45/565845145.db2.gz CFEUAYSZGMKVPX-CVEARBPZSA-N 0 1 381.929 3.147 20 0 GGADMN Cc1c(Cl)c(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)nc2ccccc12 ZINC000332575019 565845208 /nfs/dbraw/zinc/84/52/08/565845208.db2.gz CFEUAYSZGMKVPX-JKSUJKDBSA-N 0 1 381.929 3.147 20 0 GGADMN CS(=O)(=O)NC[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000284188475 565845186 /nfs/dbraw/zinc/84/51/86/565845186.db2.gz BAXTWFZKYZDDNO-CYBMUJFWSA-N 0 1 399.969 3.225 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000177409358 565848911 /nfs/dbraw/zinc/84/89/11/565848911.db2.gz CXFUJXYGXMYFCG-NSHDSACASA-N 0 1 392.302 3.292 20 0 GGADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NCc1ccc(F)cc1 ZINC000284326144 565849087 /nfs/dbraw/zinc/84/90/87/565849087.db2.gz BIXCNWNAOAWYHM-SFHVURJKSA-N 0 1 392.272 3.340 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1cc(F)c(Cl)cc1Cl ZINC000177409374 565849110 /nfs/dbraw/zinc/84/91/10/565849110.db2.gz CXFUJXYGXMYFCG-LLVKDONJSA-N 0 1 392.302 3.292 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)n2)o1 ZINC000194934393 565849812 /nfs/dbraw/zinc/84/98/12/565849812.db2.gz QVIDERBMOVZBCP-ZDUSSCGKSA-N 0 1 389.209 3.078 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000284345854 565850289 /nfs/dbraw/zinc/85/02/89/565850289.db2.gz YGDGPJVXDRKMPG-UHFFFAOYSA-N 0 1 383.279 3.078 20 0 GGADMN O=C(Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1)[C@H]1CCC(=O)N1 ZINC000177434898 565850491 /nfs/dbraw/zinc/85/04/91/565850491.db2.gz VCNOOVULAOVNBM-CQSZACIVSA-N 0 1 399.248 3.210 20 0 GGADMN COC(=O)[C@@]1(C)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000177435126 565850724 /nfs/dbraw/zinc/85/07/24/565850724.db2.gz NHWPBAXWYKGETR-KRWDZBQOSA-N 0 1 379.254 3.489 20 0 GGADMN C[C@@H](NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1Cl ZINC000284383168 565851011 /nfs/dbraw/zinc/85/10/11/565851011.db2.gz MGBIZPCUTFFPCL-YMTOWFKASA-N 0 1 381.263 3.088 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Br)cc(OC(C)C)c2)[nH]1 ZINC000177440761 565851308 /nfs/dbraw/zinc/85/13/08/565851308.db2.gz IXOTWOREWPFAJG-UHFFFAOYSA-N 0 1 385.287 3.394 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Br)cc(OC(C)C)c2)n1 ZINC000177440761 565851309 /nfs/dbraw/zinc/85/13/09/565851309.db2.gz IXOTWOREWPFAJG-UHFFFAOYSA-N 0 1 385.287 3.394 20 0 GGADMN C[C@H](NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1Cl ZINC000284383166 565851401 /nfs/dbraw/zinc/85/14/01/565851401.db2.gz MGBIZPCUTFFPCL-XPTSAGLGSA-N 0 1 381.263 3.088 20 0 GGADMN C[C@H](NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1Cl ZINC000284383160 565851633 /nfs/dbraw/zinc/85/16/33/565851633.db2.gz MGBIZPCUTFFPCL-LKFCYVNXSA-N 0 1 381.263 3.088 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000284404395 565852467 /nfs/dbraw/zinc/85/24/67/565852467.db2.gz PYUYNNMKRLKGGQ-JTQLQIEISA-N 0 1 381.274 3.328 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(Br)cs1 ZINC000195032591 565854304 /nfs/dbraw/zinc/85/43/04/565854304.db2.gz VCMGHEYEUAIGIG-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(Br)cs1 ZINC000195030692 565854926 /nfs/dbraw/zinc/85/49/26/565854926.db2.gz MDVCFQRVXUVSSC-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000332782952 565855851 /nfs/dbraw/zinc/85/58/51/565855851.db2.gz CWTAOMHAOBXSSG-MGPLVRAMSA-N 0 1 393.260 3.079 20 0 GGADMN O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000332782952 565855855 /nfs/dbraw/zinc/85/58/55/565855855.db2.gz CWTAOMHAOBXSSG-MGPLVRAMSA-N 0 1 393.260 3.079 20 0 GGADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(n2cc(Br)cn2)CC1 ZINC000332818494 565857365 /nfs/dbraw/zinc/85/73/65/565857365.db2.gz UJTYPWFYQAECIA-CKEIUWERSA-N 0 1 397.361 3.366 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000284541872 565857411 /nfs/dbraw/zinc/85/74/11/565857411.db2.gz HIJNMYUXZRUQBZ-DOMZBBRYSA-N 0 1 383.279 3.341 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2cc(Br)c(Cl)s2)C1 ZINC000284520764 565857701 /nfs/dbraw/zinc/85/77/01/565857701.db2.gz IZFPOMBLADEIIU-XCBNKYQSSA-N 0 1 377.695 3.244 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(F)cc1)Oc1ccccc1Br ZINC000177545535 565858799 /nfs/dbraw/zinc/85/87/99/565858799.db2.gz VDUBSXQFFQYWGZ-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000332961772 565859782 /nfs/dbraw/zinc/85/97/82/565859782.db2.gz LUJDMFHLXJPMDJ-XHDPSFHLSA-N 0 1 377.286 3.480 20 0 GGADMN O=S(=O)(CCNCc1cnc(-c2cccs2)s1)NCc1ccccc1 ZINC000177572601 565860151 /nfs/dbraw/zinc/86/01/51/565860151.db2.gz NYQVTZJUZKGDPS-UHFFFAOYSA-N 0 1 393.559 3.081 20 0 GGADMN CC(C)c1nc(CNC(=O)NCc2cccc(Br)c2Cl)n[nH]1 ZINC000413572122 565860611 /nfs/dbraw/zinc/86/06/11/565860611.db2.gz AXAWLEKUBXYQBC-UHFFFAOYSA-N 0 1 386.681 3.343 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(Cl)ccc2Br)C1 ZINC000284594101 565860966 /nfs/dbraw/zinc/86/09/66/565860966.db2.gz MHCYOSGWRYJDAY-MFKMUULPSA-N 0 1 399.676 3.131 20 0 GGADMN Cc1noc(C(C)(C)NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000284601441 565861508 /nfs/dbraw/zinc/86/15/08/565861508.db2.gz INSSNOZLILNERS-UHFFFAOYSA-N 0 1 383.779 3.264 20 0 GGADMN O=S(=O)(Cc1ncc(-c2cccs2)o1)c1n[nH]c(Cc2cccs2)n1 ZINC000195157256 565862152 /nfs/dbraw/zinc/86/21/52/565862152.db2.gz CLSBTNYFRYOIDW-UHFFFAOYSA-N 0 1 392.487 3.147 20 0 GGADMN O=S(=O)(Cc1coc(-c2cccs2)n1)c1n[nH]c(Cc2cccs2)n1 ZINC000195157632 565862177 /nfs/dbraw/zinc/86/21/77/565862177.db2.gz WMKPILBQQBUWOY-UHFFFAOYSA-N 0 1 392.487 3.147 20 0 GGADMN COC1([C@H](C)NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000413604675 565862496 /nfs/dbraw/zinc/86/24/96/565862496.db2.gz NBOHPEPEWXAUDL-JTQLQIEISA-N 0 1 381.274 3.082 20 0 GGADMN COCC1CCC(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000413602832 565862642 /nfs/dbraw/zinc/86/26/42/565862642.db2.gz JZMRJHGLNNJDHE-UHFFFAOYSA-N 0 1 395.301 3.330 20 0 GGADMN CO[C@@](C)([C@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000413604649 565862901 /nfs/dbraw/zinc/86/29/01/565862901.db2.gz NAQFSYQXJCFZHY-BTDLBPIBSA-N 0 1 395.301 3.328 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cccc(Br)c2Cl)C1 ZINC000284655354 565863468 /nfs/dbraw/zinc/86/34/68/565863468.db2.gz TUVVLUHZBLEBOZ-SKDRFNHKSA-N 0 1 399.676 3.131 20 0 GGADMN CC(C)CCc1nc(CS(=O)(=O)c2n[nH]c(Cc3cccs3)n2)cs1 ZINC000195162480 565863808 /nfs/dbraw/zinc/86/38/08/565863808.db2.gz DQNRFXODVBTDMB-UHFFFAOYSA-N 0 1 396.563 3.476 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@H]2C1 ZINC000333093613 565864555 /nfs/dbraw/zinc/86/45/55/565864555.db2.gz CUDWSRDPRLTQMY-UMVBOHGHSA-N 0 1 378.270 3.092 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)C[C@H]2C1 ZINC000333078889 565864621 /nfs/dbraw/zinc/86/46/21/565864621.db2.gz AKYVOBWNMHMJJG-JHJVBQTASA-N 0 1 378.270 3.092 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]2C1 ZINC000333094226 565864882 /nfs/dbraw/zinc/86/48/82/565864882.db2.gz CWTZJXGFBINFKS-GMTAPVOTSA-N 0 1 384.299 3.153 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000333093612 565865142 /nfs/dbraw/zinc/86/51/42/565865142.db2.gz CUDWSRDPRLTQMY-KCQAQPDRSA-N 0 1 378.270 3.092 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cccc(Br)c2Cl)n[nH]1 ZINC000413652281 565865128 /nfs/dbraw/zinc/86/51/28/565865128.db2.gz IHGPEXFLBKRSSA-MRVPVSSYSA-N 0 1 386.681 3.343 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)sc1C ZINC000333107718 565865798 /nfs/dbraw/zinc/86/57/98/565865798.db2.gz DVHQWCOZEHMQNC-UKRRQHHQSA-N 0 1 385.580 3.183 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]2C1 ZINC000333145230 565867551 /nfs/dbraw/zinc/86/75/51/565867551.db2.gz LQOBHERYKKGGIL-CKYFFXLPSA-N 0 1 384.299 3.153 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]2C1 ZINC000333145233 565867813 /nfs/dbraw/zinc/86/78/13/565867813.db2.gz LQOBHERYKKGGIL-JFGNBEQYSA-N 0 1 384.299 3.153 20 0 GGADMN O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)NCc1ccccc1F ZINC000284748981 565868236 /nfs/dbraw/zinc/86/82/36/565868236.db2.gz LITADJIUOUUGKA-GOSISDBHSA-N 0 1 392.272 3.340 20 0 GGADMN OCC1(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)COC1 ZINC000177705394 565868877 /nfs/dbraw/zinc/86/88/77/565868877.db2.gz FOBOSUJYNUGJTR-QGZVFWFLSA-N 0 1 380.257 3.276 20 0 GGADMN O=S1(=O)CCC[C@H](CN2CCC(c3cccc(Br)c3)CC2)C1 ZINC000284787330 565869872 /nfs/dbraw/zinc/86/98/72/565869872.db2.gz NSWWZCBXPSRHMB-CQSZACIVSA-N 0 1 386.355 3.453 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)sc1C ZINC000333188860 565869972 /nfs/dbraw/zinc/86/99/72/565869972.db2.gz VBLZELQQAUWVSS-CQSZACIVSA-N 0 1 385.580 3.012 20 0 GGADMN O=S(=O)([C@H]1CCCOC1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333195550 565870064 /nfs/dbraw/zinc/87/00/64/565870064.db2.gz TZSQVMJOVDYHBT-BBRMVZONSA-N 0 1 383.901 3.252 20 0 GGADMN Cc1cnc(NS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c(Br)c1 ZINC000333182019 565870320 /nfs/dbraw/zinc/87/03/20/565870320.db2.gz PXVTYLSQRQSHFM-JTQLQIEISA-N 0 1 385.287 3.047 20 0 GGADMN C[C@](N)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000195262332 565870832 /nfs/dbraw/zinc/87/08/32/565870832.db2.gz GCLLWRHLGGQWLM-PKOBYXMFSA-N 0 1 389.293 3.223 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CS[C@H](C)C2)CC1 ZINC000413729940 565870881 /nfs/dbraw/zinc/87/08/81/565870881.db2.gz UXPTZJBGWWLLQN-HIFRSBDPSA-N 0 1 382.961 3.497 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1ccccc1 ZINC000195262360 565871061 /nfs/dbraw/zinc/87/10/61/565871061.db2.gz GCLLWRHLGGQWLM-MJGOQNOKSA-N 0 1 389.293 3.223 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000333215383 565871572 /nfs/dbraw/zinc/87/15/72/565871572.db2.gz VKRVMURMHFHSJA-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN O=S(=O)(CCN[C@H]1CCSc2c(F)cccc21)NCc1ccccc1 ZINC000177771697 565872630 /nfs/dbraw/zinc/87/26/30/565872630.db2.gz UUTVPECLFWKIEB-KRWDZBQOSA-N 0 1 380.510 3.072 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N[C@@H](c2cncc(Br)c2)C2CC2)on1 ZINC000284825897 565872745 /nfs/dbraw/zinc/87/27/45/565872745.db2.gz QCWOTXIZDOWKDQ-ZUZCIYMTSA-N 0 1 379.258 3.208 20 0 GGADMN CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@@H]2COC[C@@H]21 ZINC000333306676 565876313 /nfs/dbraw/zinc/87/63/13/565876313.db2.gz CXKTUSBQMHNBLS-XJKSGUPXSA-N 0 1 390.281 3.336 20 0 GGADMN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000284924003 565877781 /nfs/dbraw/zinc/87/77/81/565877781.db2.gz UWYLMOGLYYTPCS-HFTRVMKXSA-N 0 1 384.307 3.393 20 0 GGADMN O=S(=O)(CCc1cccs1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000195362481 565878328 /nfs/dbraw/zinc/87/83/28/565878328.db2.gz VNYWQADLVQCNBH-OAHLLOKOSA-N 0 1 384.592 3.184 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)CCc1cccs1 ZINC000195383343 565878969 /nfs/dbraw/zinc/87/89/69/565878969.db2.gz OVWNSPSZMYVMSC-QGZVFWFLSA-N 0 1 378.563 3.217 20 0 GGADMN C[C@H]1CCN(S(=O)(=O)CCc2cccs2)CCN1Cc1ccccc1 ZINC000195388798 565879002 /nfs/dbraw/zinc/87/90/02/565879002.db2.gz GRCRROGEJHRKJA-KRWDZBQOSA-N 0 1 378.563 3.217 20 0 GGADMN C[C@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC2(CCOCC2)O1 ZINC000333367367 565879646 /nfs/dbraw/zinc/87/96/46/565879646.db2.gz YSNCFZFFFRDOOQ-KBPBESRZSA-N 0 1 390.307 3.003 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000195394903 565880301 /nfs/dbraw/zinc/88/03/01/565880301.db2.gz AAPBYSDUFXGXQC-MRXNPFEDSA-N 0 1 378.270 3.338 20 0 GGADMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333395919 565880362 /nfs/dbraw/zinc/88/03/62/565880362.db2.gz DSEIAUQNCHTCFI-MPESAESLSA-N 0 1 392.297 3.190 20 0 GGADMN C[C@H](N[C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1nccs1 ZINC000284962838 565880485 /nfs/dbraw/zinc/88/04/85/565880485.db2.gz XIWSLLZGVBLHLB-ZANVPECISA-N 0 1 381.299 3.369 20 0 GGADMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333395926 565880808 /nfs/dbraw/zinc/88/08/08/565880808.db2.gz DSEIAUQNCHTCFI-SRMUXQRQSA-N 0 1 392.297 3.190 20 0 GGADMN O=S(=O)(Cc1cccc(NS(=O)(=O)c2ccoc2)c1)C1CCCCC1 ZINC000284989504 565881487 /nfs/dbraw/zinc/88/14/87/565881487.db2.gz FDDRBIKEXGYGAU-UHFFFAOYSA-N 0 1 383.491 3.328 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1ccc(Br)cc1C(F)(F)F ZINC000285002889 565882509 /nfs/dbraw/zinc/88/25/09/565882509.db2.gz ZRVBCZTYMQKCTG-UHFFFAOYSA-N 0 1 392.179 3.340 20 0 GGADMN CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCCc4[nH]ncc43)cc2s1 ZINC000333454208 565883007 /nfs/dbraw/zinc/88/30/07/565883007.db2.gz ODYFGGJDDXSPOX-UHFFFAOYSA-N 0 1 376.507 3.458 20 0 GGADMN O[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C12CCCC2 ZINC000333467171 565883965 /nfs/dbraw/zinc/88/39/65/565883965.db2.gz QNSJSEPXCYIYTL-CQSZACIVSA-N 0 1 378.270 3.379 20 0 GGADMN O[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C12CCCC2 ZINC000333467168 565884165 /nfs/dbraw/zinc/88/41/65/565884165.db2.gz QNSJSEPXCYIYTL-AWEZNQCLSA-N 0 1 378.270 3.379 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000177969847 565884306 /nfs/dbraw/zinc/88/43/06/565884306.db2.gz URRJUVQXRTUOCX-ZLOXQWCVSA-N 0 1 385.938 3.202 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCN1 ZINC000333507657 565885108 /nfs/dbraw/zinc/88/51/08/565885108.db2.gz DZZYWILAFJAFKQ-MEDUHNTESA-N 0 1 391.313 3.311 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCN1 ZINC000333507658 565886216 /nfs/dbraw/zinc/88/62/16/565886216.db2.gz DZZYWILAFJAFKQ-ZBEGNZNMSA-N 0 1 391.313 3.311 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000333559155 565886823 /nfs/dbraw/zinc/88/68/23/565886823.db2.gz RIFRDYMPDOHTGQ-UONOGXRCSA-N 0 1 390.281 3.338 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000333559156 565887269 /nfs/dbraw/zinc/88/72/69/565887269.db2.gz RIFRDYMPDOHTGQ-ZIAGYGMSSA-N 0 1 390.281 3.338 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000333559154 565887275 /nfs/dbraw/zinc/88/72/75/565887275.db2.gz RIFRDYMPDOHTGQ-KGLIPLIRSA-N 0 1 390.281 3.338 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C=Cc2c(Cl)cccc2Cl)C1 ZINC000285096594 565888121 /nfs/dbraw/zinc/88/81/21/565888121.db2.gz SXTNTPJRJSQBIA-UUILKCMMSA-N 0 1 381.263 3.422 20 0 GGADMN Cc1ccc(Br)cc1C(=O)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333583606 565888347 /nfs/dbraw/zinc/88/83/47/565888347.db2.gz OEPVYBPWPRZGSI-UHFFFAOYSA-N 0 1 389.297 3.035 20 0 GGADMN C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000414031525 565888814 /nfs/dbraw/zinc/88/88/14/565888814.db2.gz FZZMORVSULJXBA-YPMHNXCESA-N 0 1 378.270 3.072 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(C4CCOCC4)cs3)ccc2O1 ZINC000285115399 565889435 /nfs/dbraw/zinc/88/94/35/565889435.db2.gz OTCWRJHHJSFWCU-NSHDSACASA-N 0 1 380.491 3.161 20 0 GGADMN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000285154502 565891123 /nfs/dbraw/zinc/89/11/23/565891123.db2.gz PNGWSSLNATZOAV-UHFFFAOYSA-N 0 1 385.314 3.150 20 0 GGADMN C[C@@H]1[C@H](CO)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000414083390 565893762 /nfs/dbraw/zinc/89/37/62/565893762.db2.gz VMIARFYGMAMJQU-YPMHNXCESA-N 0 1 378.270 3.072 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178075655 565894285 /nfs/dbraw/zinc/89/42/85/565894285.db2.gz MQEUFVMXILZUTG-LSDHHAIUSA-N 0 1 385.335 3.353 20 0 GGADMN COc1cc(Br)c(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1OC ZINC000285212365 565894339 /nfs/dbraw/zinc/89/43/39/565894339.db2.gz XCELTCGQEPSKBM-MAUKXSAKSA-N 0 1 393.281 3.481 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178075635 565894887 /nfs/dbraw/zinc/89/48/87/565894887.db2.gz MQEUFVMXILZUTG-GJZGRUSLSA-N 0 1 385.335 3.353 20 0 GGADMN COC(=O)c1cnc([C@@H](C)NC[C@@H](CO)Cc2c(F)cccc2Cl)s1 ZINC000414120702 565897017 /nfs/dbraw/zinc/89/70/17/565897017.db2.gz YEBGSLVBJYFTTJ-MNOVXSKESA-N 0 1 386.876 3.224 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178120592 565897456 /nfs/dbraw/zinc/89/74/56/565897456.db2.gz LSHHLUZKPHQXFO-MRXNPFEDSA-N 0 1 382.957 3.393 20 0 GGADMN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178116397 565897639 /nfs/dbraw/zinc/89/76/39/565897639.db2.gz ZFRVXXHTPVIMMT-INIZCTEOSA-N 0 1 385.335 3.497 20 0 GGADMN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178103322 565897783 /nfs/dbraw/zinc/89/77/83/565897783.db2.gz IGVBFNAWGHMAGV-GFCCVEGCSA-N 0 1 397.953 3.319 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(O)c(Br)c1)c1cccs1 ZINC000178103805 565897828 /nfs/dbraw/zinc/89/78/28/565897828.db2.gz RWPBDEOMURYNDI-CYBMUJFWSA-N 0 1 398.326 3.318 20 0 GGADMN COC(=O)c1cnc([C@H](C)NCCc2ccc(OC)c(OC)c2Cl)s1 ZINC000414133062 565898126 /nfs/dbraw/zinc/89/81/26/565898126.db2.gz GJANAWSRYZYDNR-JTQLQIEISA-N 0 1 384.885 3.494 20 0 GGADMN COc1ccc([C@H](CO)CN[C@H](C)c2ncc(Br)cc2F)cc1 ZINC000414186197 565901532 /nfs/dbraw/zinc/90/15/32/565901532.db2.gz PEHGIDBPQUMBPG-YPMHNXCESA-N 0 1 383.261 3.419 20 0 GGADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C12CCC2 ZINC000414179372 565901929 /nfs/dbraw/zinc/90/19/29/565901929.db2.gz KQCOZAOUUCOXJQ-TZTCFGBESA-N 0 1 393.336 3.249 20 0 GGADMN CN(CCCN(C)S(=O)(=O)c1c(Cl)ccnc1Cl)Cc1ccco1 ZINC000285378550 565903804 /nfs/dbraw/zinc/90/38/04/565903804.db2.gz GNCZEOIKHGDPIA-UHFFFAOYSA-N 0 1 392.308 3.124 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1ccccc1S(C)(=O)=O ZINC000414225776 565904184 /nfs/dbraw/zinc/90/41/84/565904184.db2.gz BKVRVBRHJBIONV-ZDUSSCGKSA-N 0 1 380.897 3.250 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2ccccc2N(C)C)c1 ZINC000178184248 565904258 /nfs/dbraw/zinc/90/42/58/565904258.db2.gz ASXYZHMEIMWLGU-UHFFFAOYSA-N 0 1 385.283 3.325 20 0 GGADMN C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000414265838 565906302 /nfs/dbraw/zinc/90/63/02/565906302.db2.gz LWMNAYKCNRAPKU-LBPRGKRZSA-N 0 1 378.519 3.351 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000334016616 565909348 /nfs/dbraw/zinc/90/93/48/565909348.db2.gz ZKLRSRIEIWZCMX-YDHLFZDLSA-N 0 1 390.281 3.072 20 0 GGADMN COc1cc(OC)c([C@H](C)NCC2(CS(C)(=O)=O)CCC2)cc1Cl ZINC000414328316 565912379 /nfs/dbraw/zinc/91/23/79/565912379.db2.gz NVLGZVMXGGHZFR-LBPRGKRZSA-N 0 1 375.918 3.223 20 0 GGADMN CS(=O)(=O)CC1(CN[C@@H]2CCc3c2c(Br)ccc3F)CCC1 ZINC000414334666 565912505 /nfs/dbraw/zinc/91/25/05/565912505.db2.gz UMCXYHYMOREQDS-CQSZACIVSA-N 0 1 390.318 3.380 20 0 GGADMN O=C(CCN1CCOc2cc(O)ccc2C1)Nc1ccccc1Br ZINC000285577877 565913894 /nfs/dbraw/zinc/91/38/94/565913894.db2.gz TUSQXBRJIALAKC-UHFFFAOYSA-N 0 1 391.265 3.378 20 0 GGADMN NS(=O)(=O)c1ccc(CNCc2ccccc2OCC2CC2)cc1Cl ZINC000414357426 565915139 /nfs/dbraw/zinc/91/51/39/565915139.db2.gz JHXMNOJPZOEXNY-UHFFFAOYSA-N 0 1 380.897 3.066 20 0 GGADMN CC(C)(CO)C(C)(C)NCc1c(Br)cncc1Br ZINC000414369549 565917007 /nfs/dbraw/zinc/91/70/07/565917007.db2.gz UTKBVXRKWPEJKF-UHFFFAOYSA-N 0 1 380.124 3.493 20 0 GGADMN Cc1ccc(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)c(OC(C)C)c1 ZINC000414377012 565917992 /nfs/dbraw/zinc/91/79/92/565917992.db2.gz IHPGTUMUMSJBTR-UHFFFAOYSA-N 0 1 382.913 3.373 20 0 GGADMN CC(C)n1ncc2cc(CNCC3(S(C)(=O)=O)CCCC3)c(Cl)nc21 ZINC000285641240 565918478 /nfs/dbraw/zinc/91/84/78/565918478.db2.gz ZKBMPSSCZMJVSJ-UHFFFAOYSA-N 0 1 384.933 3.113 20 0 GGADMN CCCOc1cc(C)ccc1CNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414382270 565919662 /nfs/dbraw/zinc/91/96/62/565919662.db2.gz RDAOBUIZDBOKEA-UHFFFAOYSA-N 0 1 382.913 3.374 20 0 GGADMN CCC[C@]1(NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCOC1 ZINC000285657553 565919671 /nfs/dbraw/zinc/91/96/71/565919671.db2.gz SRHNMSNJDBFDQE-SFHVURJKSA-N 0 1 380.535 3.262 20 0 GGADMN CCOC(=O)CC1(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000414380620 565919984 /nfs/dbraw/zinc/91/99/84/565919984.db2.gz GUGXDSAPUVNSLZ-UHFFFAOYSA-N 0 1 397.827 3.211 20 0 GGADMN CS(=O)(=O)c1ccc(CNCCOc2ncc(Cl)cc2Cl)s1 ZINC000414386009 565920405 /nfs/dbraw/zinc/92/04/05/565920405.db2.gz XOPBTFQWOHLOFV-UHFFFAOYSA-N 0 1 381.306 3.022 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2c(C)cccc2Cl)c1C ZINC000414387756 565921173 /nfs/dbraw/zinc/92/11/73/565921173.db2.gz WVRBGFIZNNJHQY-UHFFFAOYSA-N 0 1 387.910 3.470 20 0 GGADMN Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)c(F)cc21 ZINC000414389245 565921879 /nfs/dbraw/zinc/92/18/79/565921879.db2.gz PQYRDCYIUPLPHT-UHFFFAOYSA-N 0 1 384.454 3.430 20 0 GGADMN CN(Cc1ccc(S(C)(=O)=O)s1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414389507 565922535 /nfs/dbraw/zinc/92/25/35/565922535.db2.gz RLIWTAIKSHDLJU-KRWDZBQOSA-N 0 1 378.563 3.106 20 0 GGADMN Cc1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccc1C(F)(F)F ZINC000414393772 565923333 /nfs/dbraw/zinc/92/33/33/565923333.db2.gz DYHMUMZUXKKLOX-OAHLLOKOSA-N 0 1 376.444 3.014 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(Cl)cc(F)c2Br)n[nH]1 ZINC000285776697 565926081 /nfs/dbraw/zinc/92/60/81/565926081.db2.gz WMBVKHKTZVOYIL-LURJTMIESA-N 0 1 375.629 3.413 20 0 GGADMN C[C@H](NCCn1cc(Br)cn1)c1cc(Br)ncc1F ZINC000285850104 565930217 /nfs/dbraw/zinc/93/02/17/565930217.db2.gz ZCIVBBTYMVYECL-QMMMGPOBSA-N 0 1 392.070 3.293 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(C[C@H](O)c2ccccc2Br)C1 ZINC000178645878 565931553 /nfs/dbraw/zinc/93/15/53/565931553.db2.gz GVDWIPHQPPUKJE-CJNGLKHVSA-N 0 1 399.329 3.329 20 0 GGADMN Clc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1I ZINC000232346328 565932866 /nfs/dbraw/zinc/93/28/66/565932866.db2.gz KSOMCDFZBZSEOU-JTQLQIEISA-N 0 1 375.597 3.419 20 0 GGADMN CCOc1cccc(S(=O)(=O)Nc2ccnc(OCC(F)(F)F)c2)c1 ZINC000414452910 565934359 /nfs/dbraw/zinc/93/43/59/565934359.db2.gz AOEODEGYKUILIG-UHFFFAOYSA-N 0 1 376.356 3.222 20 0 GGADMN CC(C)c1nc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cn1C ZINC000414448700 565934961 /nfs/dbraw/zinc/93/49/61/565934961.db2.gz BBNULBPWBDUGCH-ZDUSSCGKSA-N 0 1 379.379 3.265 20 0 GGADMN CN(Cc1cc(Br)c([O-])c(Br)c1)C[C@H]1CCC[N@H+]1C ZINC000234345483 565935270 /nfs/dbraw/zinc/93/52/70/565935270.db2.gz ABKNJDFFLFPKFT-LLVKDONJSA-N 0 1 392.135 3.443 20 0 GGADMN N[C@@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1 ZINC000178723901 565935153 /nfs/dbraw/zinc/93/51/53/565935153.db2.gz SAXCIWUDAKSFEZ-RDTXWAMCSA-N 0 1 388.309 3.092 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C2(c3cc(F)cc(Br)c3)CC2)n[nH]1 ZINC000285953246 565935241 /nfs/dbraw/zinc/93/52/41/565935241.db2.gz ZQFPXFSVCSRNFZ-VIFPVBQESA-N 0 1 381.249 3.178 20 0 GGADMN COC[C@@H]1CC[N@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000234838096 565935544 /nfs/dbraw/zinc/93/55/44/565935544.db2.gz QIABHNFVCYGKSN-SECBINFHSA-N 0 1 379.092 3.386 20 0 GGADMN COC[C@@H]1CC[N@@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000234838096 565935545 /nfs/dbraw/zinc/93/55/45/565935545.db2.gz QIABHNFVCYGKSN-SECBINFHSA-N 0 1 379.092 3.386 20 0 GGADMN CC(C)c1[nH]nc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)c1Br ZINC000350346347 565935808 /nfs/dbraw/zinc/93/58/08/565935808.db2.gz BWCNLPUEDJERAW-MGPLVRAMSA-N 0 1 396.289 3.271 20 0 GGADMN Brc1ccn2cc(-c3noc(-c4ccc5cncn5c4)n3)nc2c1 ZINC000350426898 565935845 /nfs/dbraw/zinc/93/58/45/565935845.db2.gz BTNLPCCBDXSPRG-UHFFFAOYSA-N 0 1 381.193 3.462 20 0 GGADMN CCS[C@H]1CCC[C@H]1NCc1nnnn1-c1ccccc1Br ZINC000285984082 565936230 /nfs/dbraw/zinc/93/62/30/565936230.db2.gz FNBXEVYGXCVAGB-OCCSQVGLSA-N 0 1 382.331 3.189 20 0 GGADMN CCS[C@H]1CCC[C@@H]1NCc1nnnn1-c1ccccc1Br ZINC000285984076 565936409 /nfs/dbraw/zinc/93/64/09/565936409.db2.gz FNBXEVYGXCVAGB-JSGCOSHPSA-N 0 1 382.331 3.189 20 0 GGADMN COc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(Br)c1 ZINC000285966078 565936588 /nfs/dbraw/zinc/93/65/88/565936588.db2.gz NIXXOQLPATYYME-WMZOPIPTSA-N 0 1 394.313 3.428 20 0 GGADMN Cc1ccnc(C)c1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000414456269 565936748 /nfs/dbraw/zinc/93/67/48/565936748.db2.gz UHUDGAUQLWNQCC-UHFFFAOYSA-N 0 1 399.266 3.033 20 0 GGADMN O=S(=O)(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)c(Br)c1 ZINC000236072749 565938302 /nfs/dbraw/zinc/93/83/02/565938302.db2.gz GPYKDXPTNKNUCR-KBPBESRZSA-N 0 1 393.734 3.008 20 0 GGADMN O=C(c1ccccc1OCc1cccc(Br)c1)N1CCNCC1 ZINC000236569542 565938658 /nfs/dbraw/zinc/93/86/58/565938658.db2.gz VTPVYNCKDVKXIB-UHFFFAOYSA-N 0 1 375.266 3.074 20 0 GGADMN Cc1cccc(NS(=O)(=O)CCc2cccc(Cl)c2)c1S(C)(=O)=O ZINC000414467944 565938809 /nfs/dbraw/zinc/93/88/09/565938809.db2.gz CERLHLGNYGJYRM-UHFFFAOYSA-N 0 1 387.910 3.036 20 0 GGADMN O=C(CN1CCN([C@@H]2C=CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000178800690 565938920 /nfs/dbraw/zinc/93/89/20/565938920.db2.gz PAFPXWLRXYTHOC-QGZVFWFLSA-N 0 1 378.314 3.114 20 0 GGADMN Cn1ncc2c1CCCN(Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000414470642 565939137 /nfs/dbraw/zinc/93/91/37/565939137.db2.gz JPISTHRGXUEMPI-UHFFFAOYSA-N 0 1 386.297 3.317 20 0 GGADMN O=C([C@@H](Oc1ccccc1Br)c1ccccc1)N1CCNCC1 ZINC000236584447 565939491 /nfs/dbraw/zinc/93/94/91/565939491.db2.gz KSVKBFQBYXEOAB-KRWDZBQOSA-N 0 1 375.266 3.001 20 0 GGADMN COC[C@@H]1C[C@H](O)CN1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414483411 565941742 /nfs/dbraw/zinc/94/17/42/565941742.db2.gz FHBALGRYEDRUEN-KBPBESRZSA-N 0 1 383.311 3.154 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(OC)c(OC)c2)c1 ZINC000414483133 565941857 /nfs/dbraw/zinc/94/18/57/565941857.db2.gz NZKYYGUEPCZQKU-UHFFFAOYSA-N 0 1 383.897 3.441 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NCc2ncc(I)s2)n[nH]1 ZINC000286100677 565942477 /nfs/dbraw/zinc/94/24/77/565942477.db2.gz TYZAJGHWLUOZGM-SFYZADRCSA-N 0 1 391.282 3.230 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000286128888 565943938 /nfs/dbraw/zinc/94/39/38/565943938.db2.gz XAWQPCJYHMERRC-OCCSQVGLSA-N 0 1 384.267 3.092 20 0 GGADMN COc1ccc(CNC[C@H](CO)c2ccc(F)cc2)c(Br)c1O ZINC000414528722 565944810 /nfs/dbraw/zinc/94/48/10/565944810.db2.gz OPTCQHHCRRNFRW-CYBMUJFWSA-N 0 1 384.245 3.168 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1Br ZINC000286149977 565944934 /nfs/dbraw/zinc/94/49/34/565944934.db2.gz IEHLQAJTLBSCQR-QPUJVOFHSA-N 0 1 381.101 3.391 20 0 GGADMN COc1ccc(CNC[C@@H](CO)c2ccc(F)cc2)c(Br)c1O ZINC000414528730 565945102 /nfs/dbraw/zinc/94/51/02/565945102.db2.gz OPTCQHHCRRNFRW-ZDUSSCGKSA-N 0 1 384.245 3.168 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(Cc2cccc(I)c2)CC1 ZINC000414547734 565946685 /nfs/dbraw/zinc/94/66/85/565946685.db2.gz IVYDOZQAJXAVLF-INIZCTEOSA-N 0 1 398.288 3.268 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000286188797 565946957 /nfs/dbraw/zinc/94/69/57/565946957.db2.gz AJEKEPUAYXREIG-VIFPVBQESA-N 0 1 379.251 3.405 20 0 GGADMN COc1cc(Br)c(CNC[C@H](CO)c2ccc(F)cc2)cc1O ZINC000414532060 565947001 /nfs/dbraw/zinc/94/70/01/565947001.db2.gz SKGYMVOSRNUXKT-CYBMUJFWSA-N 0 1 384.245 3.168 20 0 GGADMN O=C1CCCN1[C@H]1CCCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000414548142 565948545 /nfs/dbraw/zinc/94/85/45/565948545.db2.gz JOIPVGDSLOMGQK-KRWDZBQOSA-N 0 1 393.325 3.361 20 0 GGADMN CC(C)(CNCc1cn(-c2ccccc2Br)nn1)c1cccnc1 ZINC000414554960 565948675 /nfs/dbraw/zinc/94/86/75/565948675.db2.gz HRQMTYZMOMTLPS-UHFFFAOYSA-N 0 1 386.297 3.492 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(F)cc1O ZINC000178995758 565951439 /nfs/dbraw/zinc/95/14/39/565951439.db2.gz HVGWDBUJGNXRJS-UHFFFAOYSA-N 0 1 395.228 3.313 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3COc4ccc(Br)cc43)[nH]c2c1 ZINC000179003191 565951957 /nfs/dbraw/zinc/95/19/57/565951957.db2.gz DYGFZUJZGVPFHV-ZDUSSCGKSA-N 0 1 386.249 3.426 20 0 GGADMN Cc1nnc(SCCC(=O)NC(C)(C)c2ccccc2Br)[nH]1 ZINC000179008876 565952495 /nfs/dbraw/zinc/95/24/95/565952495.db2.gz PPCRKYBYRLDDCY-UHFFFAOYSA-N 0 1 383.315 3.409 20 0 GGADMN Cc1cc(CNC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)sc1Br ZINC000414670992 565952869 /nfs/dbraw/zinc/95/28/69/565952869.db2.gz ARBZYBWRVXXYOM-UHFFFAOYSA-N 0 1 387.343 3.236 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286296283 565952788 /nfs/dbraw/zinc/95/27/88/565952788.db2.gz OVYRRNCQNIWFQR-WPRPVWTQSA-N 0 1 393.818 3.425 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)COc2ccc(C3SCCCS3)cc2)n[nH]1 ZINC000286303992 565952810 /nfs/dbraw/zinc/95/28/10/565952810.db2.gz IKNGJRNWYQSHOO-LLVKDONJSA-N 0 1 378.523 3.238 20 0 GGADMN C[NH+](C)Cc1nc(-c2cc(Br)c([O-])c(Br)c2)no1 ZINC000351386067 565953014 /nfs/dbraw/zinc/95/30/14/565953014.db2.gz PFQAHJAHPXMDSS-UHFFFAOYSA-N 0 1 377.036 3.029 20 0 GGADMN COCCC[C@H](CNC(=O)CSc1nnc(C)[nH]1)c1ccc(Cl)cc1 ZINC000286311252 565953016 /nfs/dbraw/zinc/95/30/16/565953016.db2.gz KKPPDRZTJQOTLA-CQSZACIVSA-N 0 1 382.917 3.185 20 0 GGADMN COCCC[C@H](CNC(=O)CSc1nc(C)n[nH]1)c1ccc(Cl)cc1 ZINC000286311252 565953019 /nfs/dbraw/zinc/95/30/19/565953019.db2.gz KKPPDRZTJQOTLA-CQSZACIVSA-N 0 1 382.917 3.185 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000414671390 565953560 /nfs/dbraw/zinc/95/35/60/565953560.db2.gz ATVBLBWNDTXNBX-MRVPVSSYSA-N 0 1 394.107 3.479 20 0 GGADMN C[C@@H](NC(=O)[C@@H](N)c1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC000237333622 565956824 /nfs/dbraw/zinc/95/68/24/565956824.db2.gz VFFPFUHEHGIMKF-DIFFPNOSSA-N 0 1 391.265 3.098 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CCN1 ZINC000414732408 565957985 /nfs/dbraw/zinc/95/79/85/565957985.db2.gz IVYDSRPRRKNCSS-NSHDSACASA-N 0 1 395.326 3.322 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C)c1ccc(Cl)nc1 ZINC000179121413 565958796 /nfs/dbraw/zinc/95/87/96/565958796.db2.gz XGDTYSGGMIQZBN-AWEZNQCLSA-N 0 1 381.929 3.414 20 0 GGADMN C[C@@H]1CNCCN1C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000237455885 565959965 /nfs/dbraw/zinc/95/99/65/565959965.db2.gz IWCCKVGWMCCSHD-GFCCVEGCSA-N 0 1 376.254 3.070 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccc(I)cc2Cl)CCN1 ZINC000414797906 565961496 /nfs/dbraw/zinc/96/14/96/565961496.db2.gz PTKLJCGMLIHQIZ-UHFFFAOYSA-N 0 1 393.656 3.160 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000237530390 565962211 /nfs/dbraw/zinc/96/22/11/565962211.db2.gz KRPQCYBOBHIKRY-KZULUSFZSA-N 0 1 391.284 3.350 20 0 GGADMN CC1(C)C[C@H](NC(=O)CSc2n[nH]c(=S)s2)c2ccc(F)cc2O1 ZINC000360872459 565963155 /nfs/dbraw/zinc/96/31/55/565963155.db2.gz MCXFWMJSHGIUHJ-JTQLQIEISA-N 0 1 385.511 3.477 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(Br)ccc2Br)n[nH]1 ZINC000286506300 565963219 /nfs/dbraw/zinc/96/32/19/565963219.db2.gz WXFCMMHFMFIYLZ-LURJTMIESA-N 0 1 388.063 3.129 20 0 GGADMN Cc1sc(Br)nc1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286502631 565963432 /nfs/dbraw/zinc/96/34/32/565963432.db2.gz KLTCCCWULVLZQI-UHFFFAOYSA-N 0 1 386.315 3.401 20 0 GGADMN CC(C)C[C@@H](CN[C@H](C)c1ncc(Br)s1)N1CCOCC1 ZINC000179196916 565964115 /nfs/dbraw/zinc/96/41/15/565964115.db2.gz CCMITFPDSBCCLX-OLZOCXBDSA-N 0 1 376.364 3.303 20 0 GGADMN CC(C)C[C@H](CN[C@H](C)c1ncc(Br)s1)N1CCOCC1 ZINC000179196927 565964841 /nfs/dbraw/zinc/96/48/41/565964841.db2.gz CCMITFPDSBCCLX-CHWSQXEVSA-N 0 1 376.364 3.303 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(Br)sc2Br)n[nH]1 ZINC000286516518 565964741 /nfs/dbraw/zinc/96/47/41/565964741.db2.gz XOSFXZWBAYFGFW-BYPYZUCNSA-N 0 1 394.092 3.191 20 0 GGADMN C[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1)Oc1ccccc1Br ZINC000237605760 565965421 /nfs/dbraw/zinc/96/54/21/565965421.db2.gz UWAKSVPBCWSVCL-SUMWQHHRSA-N 0 1 389.293 3.047 20 0 GGADMN CN1CC[C@@H](CNC(=O)NOCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000361213903 565966412 /nfs/dbraw/zinc/96/64/12/565966412.db2.gz GSZPPNYQRBDVNN-GXFFZTMASA-N 0 1 383.773 3.265 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000237763141 565970017 /nfs/dbraw/zinc/97/00/17/565970017.db2.gz FEHASKOOUGCPJL-AWEZNQCLSA-N 0 1 377.794 3.146 20 0 GGADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCCS(C)(=O)=O ZINC000237813723 565971315 /nfs/dbraw/zinc/97/13/15/565971315.db2.gz MGWJEUKOIKUAQW-UHFFFAOYSA-N 0 1 376.309 3.012 20 0 GGADMN N[C@@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000237804986 565971390 /nfs/dbraw/zinc/97/13/90/565971390.db2.gz ILZAUVWOAXGWQL-DLBZAZTESA-N 0 1 375.266 3.049 20 0 GGADMN O=C(CNCc1ccc(Cl)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000237862363 565972557 /nfs/dbraw/zinc/97/25/57/565972557.db2.gz XGUHKSKQCFWRQA-UHFFFAOYSA-N 0 1 384.332 3.493 20 0 GGADMN Cc1ccc(Cc2cnc(NC(=O)CNC[C@H]3CCCO3)s2)cc1Cl ZINC000237828702 565972962 /nfs/dbraw/zinc/97/29/62/565972962.db2.gz DOCCBGYBMXQZEL-CQSZACIVSA-N 0 1 379.913 3.403 20 0 GGADMN Brc1cccc(-c2noc(CN3CC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000361750818 565973095 /nfs/dbraw/zinc/97/30/95/565973095.db2.gz JZGVQRUHWCHFQY-KGLIPLIRSA-N 0 1 378.270 3.358 20 0 GGADMN NCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000237939952 565975686 /nfs/dbraw/zinc/97/56/86/565975686.db2.gz GWDIJRRPIHCZOY-AWEZNQCLSA-N 0 1 382.247 3.288 20 0 GGADMN O=C(NCCOc1cccc(Br)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000179358599 565976642 /nfs/dbraw/zinc/97/66/42/565976642.db2.gz OFXRPXJFJSYPEX-UHFFFAOYSA-N 0 1 387.237 3.043 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2Cl)n[nH]1 ZINC000362232458 565976903 /nfs/dbraw/zinc/97/69/03/565976903.db2.gz BQBRKSOGHRAMIX-UHFFFAOYSA-N 0 1 398.926 3.305 20 0 GGADMN Cc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)c(C)s1 ZINC000179369602 565977456 /nfs/dbraw/zinc/97/74/56/565977456.db2.gz UKJCMADIVADEDQ-STQMWFEESA-N 0 1 380.535 3.446 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2cccc(Br)c2Cl)[C@H](C)C1 ZINC000286739206 565977654 /nfs/dbraw/zinc/97/76/54/565977654.db2.gz KUNVYLMMDHFERF-GHMZBOCLSA-N 0 1 390.709 3.021 20 0 GGADMN Cc1cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)c(C)s1 ZINC000179369626 565977745 /nfs/dbraw/zinc/97/77/45/565977745.db2.gz UKJCMADIVADEDQ-QWHCGFSZSA-N 0 1 380.535 3.446 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CCN1 ZINC000415207297 565977861 /nfs/dbraw/zinc/97/78/61/565977861.db2.gz FERINSHWWNGUMO-GFCCVEGCSA-N 0 1 391.269 3.462 20 0 GGADMN O[C@@H](CNCc1csc(-c2cccc(Br)c2)n1)COCC1CC1 ZINC000238077747 565979396 /nfs/dbraw/zinc/97/93/96/565979396.db2.gz GXVRYZGTPOESLV-INIZCTEOSA-N 0 1 397.338 3.450 20 0 GGADMN COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2nccs2)c1 ZINC000179427472 565980421 /nfs/dbraw/zinc/98/04/21/565980421.db2.gz ZQWYFDOATFCALY-LLVKDONJSA-N 0 1 398.326 3.385 20 0 GGADMN C[C@@H](NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1nccs1 ZINC000179436334 565980443 /nfs/dbraw/zinc/98/04/43/565980443.db2.gz IMBMOZQCFQCTRO-CYBMUJFWSA-N 0 1 385.580 3.273 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CCN1 ZINC000415231175 565980607 /nfs/dbraw/zinc/98/06/07/565980607.db2.gz RCGLAULJEHAXLA-LLVKDONJSA-N 0 1 395.326 3.322 20 0 GGADMN CC(C)n1cc(CNc2nccn2Cc2ccc(Br)cc2)nn1 ZINC000286815542 565981926 /nfs/dbraw/zinc/98/19/26/565981926.db2.gz LLOAVQCNPCBTAQ-UHFFFAOYSA-N 0 1 375.274 3.478 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(I)cc1 ZINC000179465820 565982154 /nfs/dbraw/zinc/98/21/54/565982154.db2.gz DUHVSNQLEXZORQ-LLVKDONJSA-N 0 1 399.276 3.447 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000415314566 565986510 /nfs/dbraw/zinc/98/65/10/565986510.db2.gz XSVHSPJMHHFIRD-ZDUSSCGKSA-N 0 1 383.283 3.180 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245392201 565987286 /nfs/dbraw/zinc/98/72/86/565987286.db2.gz SSLXVKTYTCDKNP-WMLDXEAASA-N 0 1 383.330 3.111 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSCC(F)(F)F)CC1 ZINC000179533960 565987944 /nfs/dbraw/zinc/98/79/44/565987944.db2.gz FEJUATNXOOLVMR-UHFFFAOYSA-N 0 1 381.851 3.326 20 0 GGADMN CC1(C)CC[C@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000286940758 565988088 /nfs/dbraw/zinc/98/80/88/565988088.db2.gz FDBQWHYCVCXBDA-CYBMUJFWSA-N 0 1 396.228 3.463 20 0 GGADMN COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)N1CCNCC1 ZINC000415347599 565989002 /nfs/dbraw/zinc/98/90/02/565989002.db2.gz UOBHHMQSDRXOSQ-UHFFFAOYSA-N 0 1 379.869 3.292 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](CCC(N)=O)C1)c1ccc(Cl)cc1Cl ZINC000245397853 565989182 /nfs/dbraw/zinc/98/91/82/565989182.db2.gz QQBOHLPPZXCFSO-OLZOCXBDSA-N 0 1 386.323 3.148 20 0 GGADMN CSc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245414698 565989263 /nfs/dbraw/zinc/98/92/63/565989263.db2.gz COUOKGBNJZCVSO-DOTOQJQBSA-N 0 1 384.567 3.025 20 0 GGADMN CSc1ccccc1NC(=O)CCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245414698 565989268 /nfs/dbraw/zinc/98/92/68/565989268.db2.gz COUOKGBNJZCVSO-DOTOQJQBSA-N 0 1 384.567 3.025 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H](CCC(N)=O)C2)ccc1Br ZINC000245400264 565989383 /nfs/dbraw/zinc/98/93/83/565989383.db2.gz XTUZWWXWOQZTBC-KBPBESRZSA-N 0 1 396.329 3.062 20 0 GGADMN CC[C@H](C)NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000363105045 565991446 /nfs/dbraw/zinc/99/14/46/565991446.db2.gz SSCOWDUIBQDBBR-ZDUSSCGKSA-N 0 1 396.329 3.014 20 0 GGADMN COCCOC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179607396 565992640 /nfs/dbraw/zinc/99/26/40/565992640.db2.gz PTLWPBBMUBVMEQ-UHFFFAOYSA-N 0 1 394.313 3.262 20 0 GGADMN CN(Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCCC[C@H]1O ZINC000245526883 565993904 /nfs/dbraw/zinc/99/39/04/565993904.db2.gz AUTLJQREKXPWQM-SWLSCSKDSA-N 0 1 380.286 3.482 20 0 GGADMN CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCCC[C@H]1O ZINC000245542068 565994241 /nfs/dbraw/zinc/99/42/41/565994241.db2.gz JRELMYLVLZPMNI-BXUZGUMPSA-N 0 1 376.831 3.363 20 0 GGADMN COC(=O)[C@@H](O)C1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179629196 565995281 /nfs/dbraw/zinc/99/52/81/565995281.db2.gz CYFRJNVEOFXDON-SJORKVTESA-N 0 1 382.298 3.072 20 0 GGADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3O)ccc21 ZINC000363238099 565996518 /nfs/dbraw/zinc/99/65/18/565996518.db2.gz WYAKDWICSCTYFE-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)NCC2(c3ccc(Br)cc3)CCC2)n[nH]1 ZINC000287085696 565996630 /nfs/dbraw/zinc/99/66/30/565996630.db2.gz IGZGSJNWGXMYJA-LLVKDONJSA-N 0 1 392.301 3.358 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(Br)c2)CCN1C[C@H](C)O ZINC000245594542 565997342 /nfs/dbraw/zinc/99/73/42/565997342.db2.gz RIDVXCFGFDLDFU-DZGCQCFKSA-N 0 1 384.318 3.066 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000245575024 565997630 /nfs/dbraw/zinc/99/76/30/565997630.db2.gz FAPWTYMDMIBVMQ-LSDHHAIUSA-N 0 1 379.287 3.359 20 0 GGADMN CC[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(OC)c(OC)c1 ZINC000287100605 565997882 /nfs/dbraw/zinc/99/78/82/565997882.db2.gz VHVHMWRAXXLFEM-JTQLQIEISA-N 0 1 385.536 3.204 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000179665077 565997945 /nfs/dbraw/zinc/99/79/45/565997945.db2.gz MHYULKSQPBCERC-WMLDXEAASA-N 0 1 383.330 3.026 20 0 GGADMN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179679503 565999823 /nfs/dbraw/zinc/99/98/23/565999823.db2.gz JHLQHERPEILSQS-CYBMUJFWSA-N 0 1 375.281 3.169 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CSc1n[nH]c(=S)s1)CC3 ZINC000363315977 566000132 /nfs/dbraw/zinc/00/01/32/566000132.db2.gz CCRQSUJJXSVANG-UHFFFAOYSA-N 0 1 376.532 3.294 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)n[nH]1 ZINC000287138374 566000421 /nfs/dbraw/zinc/00/04/21/566000421.db2.gz WOVZHYAYMVCQNL-SNVBAGLBSA-N 0 1 380.905 3.202 20 0 GGADMN NC(=O)[C@H](N[C@@H]1CCCN(c2ccccc2)C1)c1cccc(Br)c1 ZINC000245663680 566000524 /nfs/dbraw/zinc/00/05/24/566000524.db2.gz IEYVYONJPGUFDY-SJLPKXTDSA-N 0 1 388.309 3.234 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)N2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000363319175 566000597 /nfs/dbraw/zinc/00/05/97/566000597.db2.gz CQBCLQKOUCTXKN-LBPRGKRZSA-N 0 1 392.301 3.082 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179699675 566001248 /nfs/dbraw/zinc/00/12/48/566001248.db2.gz PKIVRPUGRJAESY-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000363363552 566001433 /nfs/dbraw/zinc/00/14/33/566001433.db2.gz ACGKQUYIGDIAEI-LBPRGKRZSA-N 0 1 393.285 3.049 20 0 GGADMN O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179705365 566001517 /nfs/dbraw/zinc/00/15/17/566001517.db2.gz WCRWYUWCANRGGT-NSHDSACASA-N 0 1 384.864 3.043 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179703313 566001597 /nfs/dbraw/zinc/00/15/97/566001597.db2.gz DMAFGBOLNWORFK-CYBMUJFWSA-N 0 1 380.901 3.212 20 0 GGADMN O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179701235 566001777 /nfs/dbraw/zinc/00/17/77/566001777.db2.gz DMOPFBZYKKVNSW-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cl)c1O ZINC000179720899 566002947 /nfs/dbraw/zinc/00/29/47/566002947.db2.gz GKEMPDVDCJHZHV-UHFFFAOYSA-N 0 1 379.865 3.337 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccccc1Br ZINC000179732068 566004072 /nfs/dbraw/zinc/00/40/72/566004072.db2.gz IEFKJZZOHBJQGH-INIZCTEOSA-N 0 1 377.282 3.491 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@H](C)CCc2ccc(Br)cc2)n[nH]1 ZINC000287222016 566004500 /nfs/dbraw/zinc/00/45/00/566004500.db2.gz QCAPAEGONATWKH-MNOVXSKESA-N 0 1 380.290 3.257 20 0 GGADMN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H](C)C1 ZINC000245753016 566005142 /nfs/dbraw/zinc/00/51/42/566005142.db2.gz HADAKBJJQBPITA-BBRMVZONSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H](C)C1 ZINC000245753016 566005145 /nfs/dbraw/zinc/00/51/45/566005145.db2.gz HADAKBJJQBPITA-BBRMVZONSA-N 0 1 399.329 3.022 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC000179761070 566006068 /nfs/dbraw/zinc/00/60/68/566006068.db2.gz RMWHWNPDMUXMFR-UHFFFAOYSA-N 0 1 375.368 3.417 20 0 GGADMN O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CCC(c2nc[nH]n2)CC1 ZINC000363429698 566006369 /nfs/dbraw/zinc/00/63/69/566006369.db2.gz PRCDPCQZRAXATC-UHFFFAOYSA-N 0 1 382.898 3.241 20 0 GGADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000287247990 566007038 /nfs/dbraw/zinc/00/70/38/566007038.db2.gz RJWGTSIKLAVSIV-MRXNPFEDSA-N 0 1 381.567 3.144 20 0 GGADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C[C@H]2CSCCS2)c1 ZINC000287247986 566007060 /nfs/dbraw/zinc/00/70/60/566007060.db2.gz RJWGTSIKLAVSIV-INIZCTEOSA-N 0 1 381.567 3.144 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000245889982 566009065 /nfs/dbraw/zinc/00/90/65/566009065.db2.gz FSEKCLGZSSWBFN-CRAIPNDOSA-N 0 1 394.357 3.266 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000245889982 566009073 /nfs/dbraw/zinc/00/90/73/566009073.db2.gz FSEKCLGZSSWBFN-CRAIPNDOSA-N 0 1 394.357 3.266 20 0 GGADMN O[C@@H](COC1CCOCC1)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000245865695 566009170 /nfs/dbraw/zinc/00/91/70/566009170.db2.gz KXLFJLHGRFEGEC-SJLPKXTDSA-N 0 1 384.314 3.143 20 0 GGADMN C[C@H](Sc1nncn1C)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000179818989 566010651 /nfs/dbraw/zinc/01/06/51/566010651.db2.gz HPODJUXWSLPVFB-LURJTMIESA-N 0 1 391.678 3.056 20 0 GGADMN COc1ccc(NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2O)cc1 ZINC000179820189 566010971 /nfs/dbraw/zinc/01/09/71/566010971.db2.gz LPHDPDHNXZYVNM-UHFFFAOYSA-N 0 1 399.628 3.394 20 0 GGADMN COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)cn1 ZINC000179819546 566011024 /nfs/dbraw/zinc/01/10/24/566011024.db2.gz OHDJYSUSOVDFOA-UHFFFAOYSA-N 0 1 385.601 3.242 20 0 GGADMN C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCSCC1 ZINC000179820125 566011069 /nfs/dbraw/zinc/01/10/69/566011069.db2.gz WQLNVGWXQIPOCL-MRVPVSSYSA-N 0 1 379.707 3.184 20 0 GGADMN CC(=O)NCCCCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000179819177 566011437 /nfs/dbraw/zinc/01/14/37/566011437.db2.gz DZFQFXBDJOFSJG-UHFFFAOYSA-N 0 1 377.666 3.443 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)c2cc(Br)cc(OC(C)C)c2)n1 ZINC000415654959 566011971 /nfs/dbraw/zinc/01/19/71/566011971.db2.gz ZDKMTLAYFGMYLB-UHFFFAOYSA-N 0 1 396.241 3.388 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cccc(I)c2)c(O)c1 ZINC000179832811 566012188 /nfs/dbraw/zinc/01/21/88/566012188.db2.gz HQUUSGJXINLKOM-UHFFFAOYSA-N 0 1 389.214 3.106 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000246000097 566013972 /nfs/dbraw/zinc/01/39/72/566013972.db2.gz GDOJYTUAUFPAGM-MNOVXSKESA-N 0 1 390.709 3.021 20 0 GGADMN CC[C@H](C)[C@H](C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179869791 566014689 /nfs/dbraw/zinc/01/46/89/566014689.db2.gz ILGLROYTDVNOAJ-UWVGGRQHSA-N 0 1 398.244 3.297 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246077631 566015621 /nfs/dbraw/zinc/01/56/21/566015621.db2.gz UNPHVYVGDYGMNR-KGLIPLIRSA-N 0 1 398.345 3.491 20 0 GGADMN O=C(c1cc2cc(Br)ccc2o1)N1CCC(c2nc[nH]n2)CC1 ZINC000363681895 566016949 /nfs/dbraw/zinc/01/69/49/566016949.db2.gz GMBBLWSLGKJDCO-UHFFFAOYSA-N 0 1 375.226 3.333 20 0 GGADMN CC(C)(C(=O)N1CCC(c2nc[nH]n2)CC1)c1ccc(Br)cc1 ZINC000363682607 566017526 /nfs/dbraw/zinc/01/75/26/566017526.db2.gz LNPCQVYCNJLLOM-UHFFFAOYSA-N 0 1 377.286 3.251 20 0 GGADMN CSc1nnnn1-c1cccc(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179968675 566021571 /nfs/dbraw/zinc/02/15/71/566021571.db2.gz RBXGGINVWKHIHA-UHFFFAOYSA-N 0 1 395.897 3.147 20 0 GGADMN COc1ccc([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)c(Br)c1 ZINC000179984834 566023209 /nfs/dbraw/zinc/02/32/09/566023209.db2.gz NJPTWEIUIVIALY-GXTWGEPZSA-N 0 1 386.286 3.030 20 0 GGADMN Cc1nc([C@@H](NS(=O)(=O)c2sc(C)nc2C)c2ccc(Cl)cc2)no1 ZINC000179987360 566023701 /nfs/dbraw/zinc/02/37/01/566023701.db2.gz UFSBAKYCWOVAMY-ZDUSSCGKSA-N 0 1 398.897 3.173 20 0 GGADMN Cc1cccc(I)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246258767 566024084 /nfs/dbraw/zinc/02/40/84/566024084.db2.gz POTQADHYWCRGJG-TZMCWYRMSA-N 0 1 386.277 3.058 20 0 GGADMN Cc1nc([C@H](NS(=O)(=O)c2sc(C)nc2C)c2ccc(Cl)cc2)no1 ZINC000179987377 566024087 /nfs/dbraw/zinc/02/40/87/566024087.db2.gz UFSBAKYCWOVAMY-CYBMUJFWSA-N 0 1 398.897 3.173 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cccc(Br)c2C)CCN1C[C@H](C)O ZINC000246289198 566025202 /nfs/dbraw/zinc/02/52/02/566025202.db2.gz CGQFSIYMVKWGSC-GXTWGEPZSA-N 0 1 384.318 3.066 20 0 GGADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000246295728 566025681 /nfs/dbraw/zinc/02/56/81/566025681.db2.gz CSOPVGWSQSVJOL-PNIPZHNDSA-N 0 1 379.547 3.327 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c1Cl ZINC000180003791 566025865 /nfs/dbraw/zinc/02/58/65/566025865.db2.gz LVLZSZBVCVXARW-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000246295690 566026101 /nfs/dbraw/zinc/02/61/01/566026101.db2.gz CSOPVGWSQSVJOL-KPNPRUKOSA-N 0 1 379.547 3.327 20 0 GGADMN CC(C)C[C@H](C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000180031456 566026750 /nfs/dbraw/zinc/02/67/50/566026750.db2.gz WGWKLIOLDCJPED-JTQLQIEISA-N 0 1 398.244 3.297 20 0 GGADMN Brc1cnc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c(Br)c1 ZINC000363972260 566028397 /nfs/dbraw/zinc/02/83/97/566028397.db2.gz HBDOKKZGOWUCOM-UFGOTCBOSA-N 0 1 376.092 3.264 20 0 GGADMN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000180077831 566030516 /nfs/dbraw/zinc/03/05/16/566030516.db2.gz FERWZFRWUHLRRR-DTWKUNHWSA-N 0 1 385.374 3.167 20 0 GGADMN C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1ncc(Br)s1 ZINC000287636485 566031056 /nfs/dbraw/zinc/03/10/56/566031056.db2.gz ULJANWBMDXIJHT-JTQLQIEISA-N 0 1 394.294 3.243 20 0 GGADMN C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1ncc(Br)s1 ZINC000287636490 566031334 /nfs/dbraw/zinc/03/13/34/566031334.db2.gz ULJANWBMDXIJHT-SNVBAGLBSA-N 0 1 394.294 3.243 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000246477586 566031533 /nfs/dbraw/zinc/03/15/33/566031533.db2.gz PDRSGORYNSETFU-VNQPRFMTSA-N 0 1 383.319 3.278 20 0 GGADMN CC(C)N1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000287639297 566031676 /nfs/dbraw/zinc/03/16/76/566031676.db2.gz CEYLJOYGKQGXMP-MRXNPFEDSA-N 0 1 381.318 3.031 20 0 GGADMN CCOCCC1(CNS(=O)(=O)c2nc(C)c(Br)s2)CCC1 ZINC000180110782 566034050 /nfs/dbraw/zinc/03/40/50/566034050.db2.gz PRNFYCOCPQSRML-UHFFFAOYSA-N 0 1 397.360 3.089 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000246586139 566034745 /nfs/dbraw/zinc/03/47/45/566034745.db2.gz MICXWPHFFIQEIU-IINYFYTJSA-N 0 1 375.694 3.134 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246731045 566038611 /nfs/dbraw/zinc/03/86/11/566038611.db2.gz MEYHPANSASYFPM-RRQGHBQHSA-N 0 1 383.319 3.278 20 0 GGADMN O=S(=O)(Nc1ccc(CN2CCOCC2)cc1)c1cc(F)ccc1Cl ZINC000180157906 566038832 /nfs/dbraw/zinc/03/88/32/566038832.db2.gz QPHPQKGFFPCYKC-UHFFFAOYSA-N 0 1 384.860 3.112 20 0 GGADMN NC(=O)[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(Br)cc1F ZINC000246761639 566039911 /nfs/dbraw/zinc/03/99/11/566039911.db2.gz 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GGADMN COC(=O)[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000248929864 566092555 /nfs/dbraw/zinc/09/25/55/566092555.db2.gz ZZPOYNVXZSFZRE-MLGOLLRUSA-N 0 1 380.282 3.356 20 0 GGADMN COC(=O)[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000248929864 566092557 /nfs/dbraw/zinc/09/25/57/566092557.db2.gz ZZPOYNVXZSFZRE-MLGOLLRUSA-N 0 1 380.282 3.356 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnc(Br)c(C)c2)[nH]n1 ZINC000180877580 566096197 /nfs/dbraw/zinc/09/61/97/566096197.db2.gz LGUOSLNILNTYMK-UHFFFAOYSA-N 0 1 389.257 3.145 20 0 GGADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)cc12 ZINC000180917657 566099206 /nfs/dbraw/zinc/09/92/06/566099206.db2.gz CLEGUWPRQZWZAG-UHFFFAOYSA-N 0 1 388.783 3.322 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCN1CC(C)(C)O ZINC000249384007 566100586 /nfs/dbraw/zinc/10/05/86/566100586.db2.gz POPGDNFUZQZVMN-SNPRPXQTSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000249329621 566100701 /nfs/dbraw/zinc/10/07/01/566100701.db2.gz HKUFUPUAWGNWBP-OAUYIBNBSA-N 0 1 385.335 3.401 20 0 GGADMN CCOC(=O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000180940246 566100878 /nfs/dbraw/zinc/10/08/78/566100878.db2.gz OSZWMSNXZMNEGQ-UHFFFAOYSA-N 0 1 378.226 3.019 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000249430398 566101157 /nfs/dbraw/zinc/10/11/57/566101157.db2.gz YXWURJRRZOVFOD-WQVCFCJDSA-N 0 1 385.335 3.401 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCCOc2ccccc2Br)n[nH]1 ZINC000180935624 566101524 /nfs/dbraw/zinc/10/15/24/566101524.db2.gz NFZVLECPFKICFA-UHFFFAOYSA-N 0 1 396.241 3.147 20 0 GGADMN CCOC[C@@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249394756 566101683 /nfs/dbraw/zinc/10/16/83/566101683.db2.gz ZLSXFLFSUYRCJK-PBHICJAKSA-N 0 1 381.314 3.303 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000249428358 566101871 /nfs/dbraw/zinc/10/18/71/566101871.db2.gz YNLPBAQMWCDGGZ-VHDGCEQUSA-N 0 1 385.335 3.401 20 0 GGADMN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1sccc1Br ZINC000416658317 566102490 /nfs/dbraw/zinc/10/24/90/566102490.db2.gz FRRBHFIMJOHCIS-UHFFFAOYSA-N 0 1 381.361 3.006 20 0 GGADMN COc1cc(CNCc2cnc([C@@H](C)O)s2)ccc1OCC(F)(F)F ZINC000289053736 566103137 /nfs/dbraw/zinc/10/31/37/566103137.db2.gz BNZFEYWSQPQSDH-SNVBAGLBSA-N 0 1 376.400 3.436 20 0 GGADMN Cc1cc(C[NH+]2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000180973896 566103548 /nfs/dbraw/zinc/10/35/48/566103548.db2.gz HVOCKWWAHNMHRN-UHFFFAOYSA-N 0 1 380.510 3.484 20 0 GGADMN C[C@H](CNC(=O)CSCC(=O)c1ccc(Cl)cc1)N1CCC[C@@H](C)C1 ZINC000249729680 566106678 /nfs/dbraw/zinc/10/66/78/566106678.db2.gz YJEAGKFOECDEQV-HUUCEWRRSA-N 0 1 382.957 3.493 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000249734394 566106948 /nfs/dbraw/zinc/10/69/48/566106948.db2.gz DCOQFOQRSFTIEI-IIDMSEBBSA-N 0 1 395.341 3.092 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(Cc3cccnc3)CC2)c1Br ZINC000365542228 566107302 /nfs/dbraw/zinc/10/73/02/566107302.db2.gz WNKDIEIVTQBRKK-UHFFFAOYSA-N 0 1 377.286 3.225 20 0 GGADMN O[C@]1(CN[C@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000181018969 566107415 /nfs/dbraw/zinc/10/74/15/566107415.db2.gz JOWXBPHOTKBDFR-MSOLQXFVSA-N 0 1 380.257 3.419 20 0 GGADMN O[C@]1(CN[C@@H](c2ccccc2)c2cc(Br)ccc2F)CCOC1 ZINC000181018949 566107423 /nfs/dbraw/zinc/10/74/23/566107423.db2.gz JOWXBPHOTKBDFR-ROUUACIJSA-N 0 1 380.257 3.419 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000181027582 566107441 /nfs/dbraw/zinc/10/74/41/566107441.db2.gz WBFAQSJOVVJYGY-ZFWWWQNUSA-N 0 1 384.864 3.034 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCCc2cc(Cl)ccc2Br)n[nH]1 ZINC000289128583 566108359 /nfs/dbraw/zinc/10/83/59/566108359.db2.gz HNEIYIKVCZFOEJ-QMMMGPOBSA-N 0 1 386.681 3.132 20 0 GGADMN COc1ccc(Br)cc1-c1noc(CCCCc2cn[nH]n2)n1 ZINC000289121326 566108457 /nfs/dbraw/zinc/10/84/57/566108457.db2.gz MKYNLMQVHGCHCP-UHFFFAOYSA-N 0 1 378.230 3.191 20 0 GGADMN CCC[C@@H](NCc1cnc([C@H](C)O)s1)C(=O)N1CCc2sccc2C1 ZINC000289160416 566109408 /nfs/dbraw/zinc/10/94/08/566109408.db2.gz DNFCONKFJSIHTH-SWLSCSKDSA-N 0 1 379.551 3.101 20 0 GGADMN O=C([C@H]1SCCc2sccc21)N1CCC(CCN2CCOCC2)CC1 ZINC000365601113 566109757 /nfs/dbraw/zinc/10/97/57/566109757.db2.gz GMYHBBVMIIGLRR-SFHVURJKSA-N 0 1 380.579 3.039 20 0 GGADMN COc1ccc(CCN(C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000181062814 566109789 /nfs/dbraw/zinc/10/97/89/566109789.db2.gz GYSUIVIMNJPHQT-KRWDZBQOSA-N 0 1 377.282 3.159 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000416883392 566110216 /nfs/dbraw/zinc/11/02/16/566110216.db2.gz BMYRNUIRNRFIAB-GXTWGEPZSA-N 0 1 384.318 3.302 20 0 GGADMN NC(=O)CC[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000181067389 566110630 /nfs/dbraw/zinc/11/06/30/566110630.db2.gz BOLGCDGWYSJISM-WBMJQRKESA-N 0 1 384.307 3.076 20 0 GGADMN CN(CCc1ccc(F)c(F)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181067431 566110692 /nfs/dbraw/zinc/11/06/92/566110692.db2.gz QCGZLABEXLLXOL-INIZCTEOSA-N 0 1 383.236 3.428 20 0 GGADMN Cc1cnn(CCCCCN(C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000181072859 566110924 /nfs/dbraw/zinc/11/09/24/566110924.db2.gz AUHFLBOMOKGDFV-KRWDZBQOSA-N 0 1 393.329 3.283 20 0 GGADMN CN(CCc1ccc(F)c(F)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181067456 566111056 /nfs/dbraw/zinc/11/10/56/566111056.db2.gz QCGZLABEXLLXOL-MRXNPFEDSA-N 0 1 383.236 3.428 20 0 GGADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000181075228 566111073 /nfs/dbraw/zinc/11/10/73/566111073.db2.gz CLBXQEATGIOYPU-UHFFFAOYSA-N 0 1 393.248 3.440 20 0 GGADMN COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(SC)cc1OC ZINC000289264490 566114599 /nfs/dbraw/zinc/11/45/99/566114599.db2.gz FUZPOIYLBPATBB-CHWSQXEVSA-N 0 1 379.444 3.418 20 0 GGADMN Cc1nnc(CCNCc2ncc(Br)cc2Br)s1 ZINC000289981699 566151132 /nfs/dbraw/zinc/15/11/32/566151132.db2.gz WXAHETQPYRAOQV-UHFFFAOYSA-N 0 1 392.120 3.099 20 0 GGADMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Br)cn1)c1cccs1 ZINC000289306220 566116005 /nfs/dbraw/zinc/11/60/05/566116005.db2.gz ITDKGTZYUWISGM-HNNXBMFYSA-N 0 1 398.326 3.194 20 0 GGADMN CC(C)(CO)[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccs1 ZINC000289303760 566116458 /nfs/dbraw/zinc/11/64/58/566116458.db2.gz ILJLVQCYLNZRIC-KRWDZBQOSA-N 0 1 377.897 3.259 20 0 GGADMN CC(C)[C@@H](N[C@H](C)CC(=O)Nc1ccc(Br)cc1)c1nncn1C ZINC000289334975 566117191 /nfs/dbraw/zinc/11/71/91/566117191.db2.gz HCPHWTIHJAEZJX-MLGOLLRUSA-N 0 1 394.317 3.282 20 0 GGADMN C[C@H](Cc1ccc(Br)cc1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000252734902 566117372 /nfs/dbraw/zinc/11/73/72/566117372.db2.gz FFGBBLGAGRUPOV-BZUAXINKSA-N 0 1 397.357 3.243 20 0 GGADMN CC(C)CC(=O)N1CCC(NCc2nc3ccccn3c2Br)CC1 ZINC000289309864 566117663 /nfs/dbraw/zinc/11/76/63/566117663.db2.gz RXHSHSFBLNTUSM-UHFFFAOYSA-N 0 1 393.329 3.224 20 0 GGADMN Cc1ccncc1CCCN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000289322787 566117704 /nfs/dbraw/zinc/11/77/04/566117704.db2.gz KECGTOWDAAXNDZ-UHFFFAOYSA-N 0 1 377.286 3.051 20 0 GGADMN COc1ccc([C@@H](C)NCC(=O)N(C)CC(F)(F)F)cc1Br ZINC000181139051 566118105 /nfs/dbraw/zinc/11/81/05/566118105.db2.gz OMIAKQLVDWWZJC-SECBINFHSA-N 0 1 383.208 3.129 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc(C)c2Cl)n(-c2ccc(C)nn2)n1 ZINC000181136175 566118353 /nfs/dbraw/zinc/11/83/53/566118353.db2.gz CBLAQYRRIAIOMB-UHFFFAOYSA-N 0 1 377.857 3.042 20 0 GGADMN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2cccc(C)c2Cl)n1 ZINC000181137387 566118482 /nfs/dbraw/zinc/11/84/82/566118482.db2.gz IDPVLWCHIJUQTI-UHFFFAOYSA-N 0 1 377.857 3.042 20 0 GGADMN O[C@H](COCc1cccs1)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000181156161 566120596 /nfs/dbraw/zinc/12/05/96/566120596.db2.gz WKMSQINJFTZKDX-CYBMUJFWSA-N 0 1 383.445 3.481 20 0 GGADMN CC(C)Cc1nnc(NC(=O)CN[C@H](c2cccs2)C(C)(C)CO)s1 ZINC000289398631 566121084 /nfs/dbraw/zinc/12/10/84/566121084.db2.gz RUSJTZVJZXQFCD-OAHLLOKOSA-N 0 1 382.555 3.086 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cc(Br)c[nH]1)N1CCCC1 ZINC000253613525 566121116 /nfs/dbraw/zinc/12/11/16/566121116.db2.gz JVOHRGHVKCKPMM-MRXNPFEDSA-N 0 1 392.297 3.353 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000181178902 566121778 /nfs/dbraw/zinc/12/17/78/566121778.db2.gz BOBKCZWXSMSPIO-ABAIWWIYSA-N 0 1 395.276 3.168 20 0 GGADMN C[C@@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1nc(C(F)(F)F)cs1 ZINC000289435202 566122122 /nfs/dbraw/zinc/12/21/22/566122122.db2.gz SNICRTBYORBJKS-OTYXRUKQSA-N 0 1 383.436 3.088 20 0 GGADMN Cc1cnn(C)c1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000289439840 566122245 /nfs/dbraw/zinc/12/22/45/566122245.db2.gz WKFKZMAGOFTGHT-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN CN(C)S(=O)(=O)c1ccc2oc(SCC[C@@H]3CCCC[N@H+]3C)nc2c1 ZINC000255936927 566122495 /nfs/dbraw/zinc/12/24/95/566122495.db2.gz FLQUEZMNCJOQOZ-ZDUSSCGKSA-N 0 1 383.539 3.045 20 0 GGADMN C[C@@H]1CN(CCCNc2ncnc3ccc(Br)cc32)C[C@H](C)O1 ZINC000261374211 566123555 /nfs/dbraw/zinc/12/35/55/566123555.db2.gz SEHMYQBVJAAYHB-BETUJISGSA-N 0 1 379.302 3.304 20 0 GGADMN COCCC1(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)CCCC1 ZINC000261615061 566124754 /nfs/dbraw/zinc/12/47/54/566124754.db2.gz ADUYVNGGWIIYRE-KRWDZBQOSA-N 0 1 383.330 3.336 20 0 GGADMN Cn1ccnc1Sc1ncc(-c2nc(C3(N)CCCC3)no2)cc1Cl ZINC000261629173 566126057 /nfs/dbraw/zinc/12/60/57/566126057.db2.gz CKGKODMOAAVPIX-UHFFFAOYSA-N 0 1 376.873 3.398 20 0 GGADMN C[C@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000261633306 566126644 /nfs/dbraw/zinc/12/66/44/566126644.db2.gz BYECIRXRAZDANR-XIKOKIGWSA-N 0 1 395.272 3.346 20 0 GGADMN O=C(COc1ccc(Br)cc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000365913853 566126756 /nfs/dbraw/zinc/12/67/56/566126756.db2.gz HQIIFKISBIUDQV-UHFFFAOYSA-N 0 1 399.676 3.006 20 0 GGADMN O=C(N1CCC(c2nc[nH]n2)CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000365909964 566126788 /nfs/dbraw/zinc/12/67/88/566126788.db2.gz MWDQLDGENCDEGK-UHFFFAOYSA-N 0 1 389.297 3.395 20 0 GGADMN C[C@@](N)(C(=O)N[C@H]1CCOc2ccc(F)cc21)c1ccc(Br)cc1 ZINC000261654391 566127238 /nfs/dbraw/zinc/12/72/38/566127238.db2.gz DSHWHWNKBSPNDT-YJBOKZPZSA-N 0 1 393.256 3.402 20 0 GGADMN Cn1ncc2c1CCC[C@H]2N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181252068 566127568 /nfs/dbraw/zinc/12/75/68/566127568.db2.gz DXPAWOJOERQUNE-CVEARBPZSA-N 0 1 379.291 3.499 20 0 GGADMN C[C@](N)(C(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000261654460 566128014 /nfs/dbraw/zinc/12/80/14/566128014.db2.gz DSZFYVKYUFRFIJ-IEBWSBKVSA-N 0 1 389.293 3.223 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)N1CCNCC1 ZINC000417151675 566128187 /nfs/dbraw/zinc/12/81/87/566128187.db2.gz RUEUKOLJEZFLEZ-KRWDZBQOSA-N 0 1 392.272 3.292 20 0 GGADMN Cc1nc(C)c(CCNC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000261724895 566130026 /nfs/dbraw/zinc/13/00/26/566130026.db2.gz KMAMOOHOOKJKBG-MRXNPFEDSA-N 0 1 382.327 3.055 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1Br ZINC000261710877 566130189 /nfs/dbraw/zinc/13/01/89/566130189.db2.gz LBAMNURQOPNAJM-CQDKDKBSSA-N 0 1 381.270 3.105 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(Br)nc2)c1 ZINC000289587865 566130418 /nfs/dbraw/zinc/13/04/18/566130418.db2.gz FFVZGGGYCSPJIW-CYBMUJFWSA-N 0 1 392.297 3.210 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(Br)nc2)c1 ZINC000289587867 566130478 /nfs/dbraw/zinc/13/04/78/566130478.db2.gz FFVZGGGYCSPJIW-ZDUSSCGKSA-N 0 1 392.297 3.210 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1Br ZINC000261710879 566130565 /nfs/dbraw/zinc/13/05/65/566130565.db2.gz LBAMNURQOPNAJM-DFBGVHRSSA-N 0 1 381.270 3.105 20 0 GGADMN NC1(c2noc([C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)n2)CCCC1 ZINC000261712154 566130964 /nfs/dbraw/zinc/13/09/64/566130964.db2.gz IWWPTRYDTKWCJJ-ZDUSSCGKSA-N 0 1 378.885 3.339 20 0 GGADMN Brc1ccccc1-n1cc(CNCCCc2nccs2)nn1 ZINC000289604650 566130991 /nfs/dbraw/zinc/13/09/91/566130991.db2.gz VGHWBXCNUUTOIG-UHFFFAOYSA-N 0 1 378.299 3.209 20 0 GGADMN C[C@](N)(C(=O)N1CCC(c2nccs2)CC1)c1ccc(Br)cc1 ZINC000261743030 566132007 /nfs/dbraw/zinc/13/20/07/566132007.db2.gz LZXXLNKJPIFYOA-QGZVFWFLSA-N 0 1 394.338 3.486 20 0 GGADMN CO[C@H](c1noc(CCCCc2cn[nH]n2)n1)c1ccc(Br)cc1 ZINC000289644743 566132400 /nfs/dbraw/zinc/13/24/00/566132400.db2.gz JQLVNHOJVLYWHL-HNNXBMFYSA-N 0 1 392.257 3.251 20 0 GGADMN CCOCc1ccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261740761 566132584 /nfs/dbraw/zinc/13/25/84/566132584.db2.gz LSCCQGWSKQIPIT-IBGZPJMESA-N 0 1 391.309 3.476 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)[C@](C)(N)c2ccc(Br)cc2)C12CCC2 ZINC000261775312 566133079 /nfs/dbraw/zinc/13/30/79/566133079.db2.gz OTJXOZDXSHMJDH-BFYDXBDKSA-N 0 1 381.314 3.087 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H](n2cccn2)C1 ZINC000366059754 566133191 /nfs/dbraw/zinc/13/31/91/566133191.db2.gz LNCIFOUVISMDRR-ZDUSSCGKSA-N 0 1 386.253 3.123 20 0 GGADMN CCOCCC1(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)CCC1 ZINC000261781510 566133378 /nfs/dbraw/zinc/13/33/78/566133378.db2.gz PIJPNHGFGNHRRJ-QGZVFWFLSA-N 0 1 383.330 3.336 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)[C@@](C)(N)c2ccc(Br)cc2)C12CCC2 ZINC000261775317 566133415 /nfs/dbraw/zinc/13/34/15/566133415.db2.gz OTJXOZDXSHMJDH-UXLLHSPISA-N 0 1 381.314 3.087 20 0 GGADMN Cc1cc(NC(=O)CCSc2nnc(C)[nH]2)nn1-c1ccccc1Cl ZINC000181335517 566133626 /nfs/dbraw/zinc/13/36/26/566133626.db2.gz LYTWNELVOGTXNG-UHFFFAOYSA-N 0 1 376.873 3.382 20 0 GGADMN C[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(Br)nc1 ZINC000289651011 566133775 /nfs/dbraw/zinc/13/37/75/566133775.db2.gz IEUKKFOSSUTROU-CYBMUJFWSA-N 0 1 383.311 3.110 20 0 GGADMN CN(C)c1ccccc1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261791196 566134594 /nfs/dbraw/zinc/13/45/94/566134594.db2.gz QGNACUBKRYZTCG-GOSISDBHSA-N 0 1 376.298 3.005 20 0 GGADMN NC1(c2noc([C@@H]3CCN(c4cccc(Br)c4)C3=O)n2)CCCC1 ZINC000261802188 566134725 /nfs/dbraw/zinc/13/47/25/566134725.db2.gz PFFCCCDNLDRBMZ-ZDUSSCGKSA-N 0 1 391.269 3.081 20 0 GGADMN Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(Br)c1 ZINC000181357580 566134898 /nfs/dbraw/zinc/13/48/98/566134898.db2.gz KIEHLQLSTGSVNX-TZMCWYRMSA-N 0 1 393.285 3.397 20 0 GGADMN C[C@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1ccccc1 ZINC000261799670 566134964 /nfs/dbraw/zinc/13/49/64/566134964.db2.gz QXDCKBJVYNYYIF-ACJLOTCBSA-N 0 1 377.282 3.207 20 0 GGADMN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)nc1 ZINC000289676655 566135340 /nfs/dbraw/zinc/13/53/40/566135340.db2.gz JKKOROAZQPKPFS-LBPRGKRZSA-N 0 1 383.311 3.240 20 0 GGADMN CSc1cc2c(cc1CN1CCC[C@](O)(C(F)(F)F)CC1)OCCO2 ZINC000289695066 566135630 /nfs/dbraw/zinc/13/56/30/566135630.db2.gz OJJSKCKMKJELJM-MRXNPFEDSA-N 0 1 377.428 3.459 20 0 GGADMN CCc1cnc(CN(C)C(=O)[C@@](C)(N)c2ccc(Br)cc2)s1 ZINC000261834618 566136063 /nfs/dbraw/zinc/13/60/63/566136063.db2.gz PCMQUCLXTPYUGS-INIZCTEOSA-N 0 1 382.327 3.301 20 0 GGADMN Cc1c(Br)ccc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1F ZINC000289700571 566136602 /nfs/dbraw/zinc/13/66/02/566136602.db2.gz MELVOYDALGJZGK-MFKMUULPSA-N 0 1 382.233 3.482 20 0 GGADMN NC1(c2noc([C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)n2)CCC1 ZINC000261826408 566136667 /nfs/dbraw/zinc/13/66/67/566136667.db2.gz QZTZQGFSHXLFNN-AWEZNQCLSA-N 0 1 383.279 3.136 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000366136216 566136823 /nfs/dbraw/zinc/13/68/23/566136823.db2.gz CFVODGJUSBWYRL-CQSZACIVSA-N 0 1 386.355 3.237 20 0 GGADMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000289737836 566137998 /nfs/dbraw/zinc/13/79/98/566137998.db2.gz XYOBIUQSKXCKIR-UHFFFAOYSA-N 0 1 395.352 3.115 20 0 GGADMN COCc1ccccc1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261860587 566138120 /nfs/dbraw/zinc/13/81/20/566138120.db2.gz WSYPTUOENGSCRS-SFHVURJKSA-N 0 1 377.282 3.086 20 0 GGADMN C[C@@H](COc1cccc(F)c1)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261837366 566138130 /nfs/dbraw/zinc/13/81/30/566138130.db2.gz UQNMLNWNSMXNIQ-KPZWWZAWSA-N 0 1 395.272 3.346 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCCc2cccc(Br)c2)n[nH]1 ZINC000611590647 566138429 /nfs/dbraw/zinc/13/84/29/566138429.db2.gz PISFIGIYLWXYJN-UHFFFAOYSA-N 0 1 380.242 3.310 20 0 GGADMN CCn1nc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)cc1C1CC1 ZINC000261881223 566138719 /nfs/dbraw/zinc/13/87/19/566138719.db2.gz ZDWUEHPGSLWVHG-QGZVFWFLSA-N 0 1 377.286 3.356 20 0 GGADMN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(Br)nc1 ZINC000289769944 566139133 /nfs/dbraw/zinc/13/91/33/566139133.db2.gz NLEQANLHKFFAOL-CYBMUJFWSA-N 0 1 392.297 3.162 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261877388 566139100 /nfs/dbraw/zinc/13/91/00/566139100.db2.gz YPZMVBHUHFRDFE-SFHVURJKSA-N 0 1 395.272 3.300 20 0 GGADMN C[C@@](N)(C(=O)N1CCC(C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000261883588 566139262 /nfs/dbraw/zinc/13/92/62/566139262.db2.gz ZISYWRSPYGUMLQ-AWEZNQCLSA-N 0 1 379.220 3.424 20 0 GGADMN Cc1ccc(OCCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261931047 566139922 /nfs/dbraw/zinc/13/99/22/566139922.db2.gz BISSDHOOHWJKRC-SFHVURJKSA-N 0 1 377.282 3.127 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000261927245 566140318 /nfs/dbraw/zinc/14/03/18/566140318.db2.gz SJLHQMPMZVOXNV-KRWDZBQOSA-N 0 1 377.282 3.425 20 0 GGADMN C[C@@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)CCN1 ZINC000417252197 566141216 /nfs/dbraw/zinc/14/12/16/566141216.db2.gz JAOABJCREFHEOF-CYBMUJFWSA-N 0 1 386.323 3.045 20 0 GGADMN CC[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1cnn(C)c1 ZINC000181459548 566141868 /nfs/dbraw/zinc/14/18/68/566141868.db2.gz DVDAEDOWXSNNNV-QGZVFWFLSA-N 0 1 393.329 3.260 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ncc(-c2cncc(F)c2)cn1 ZINC000366206909 566142076 /nfs/dbraw/zinc/14/20/76/566142076.db2.gz PMMHXLKGJABXTR-UHFFFAOYSA-N 0 1 378.816 3.440 20 0 GGADMN CN(CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCCC[C@@H]1O ZINC000181457153 566142334 /nfs/dbraw/zinc/14/23/34/566142334.db2.gz JRELMYLVLZPMNI-RISCZKNCSA-N 0 1 376.831 3.363 20 0 GGADMN CSc1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1Cl ZINC000417289985 566144353 /nfs/dbraw/zinc/14/43/53/566144353.db2.gz WCPGMJAISFRWEN-INIZCTEOSA-N 0 1 384.977 3.455 20 0 GGADMN COc1ccc(Cl)cc1[C@H](C)NCCN(C)S(=O)(=O)c1cccs1 ZINC000181501040 566144485 /nfs/dbraw/zinc/14/44/85/566144485.db2.gz ZFDXEYZTTINZNX-LBPRGKRZSA-N 0 1 388.942 3.381 20 0 GGADMN CSc1cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)ccc1Cl ZINC000417289989 566144575 /nfs/dbraw/zinc/14/45/75/566144575.db2.gz WCPGMJAISFRWEN-MRXNPFEDSA-N 0 1 384.977 3.455 20 0 GGADMN CN(CCOc1ccccc1)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000262012086 566144827 /nfs/dbraw/zinc/14/48/27/566144827.db2.gz WSWIRVBBAZFAKV-GOSISDBHSA-N 0 1 377.282 3.160 20 0 GGADMN COc1ccc([C@@H](C)NCCNS(=O)(=O)c2cc(C)sc2C)cc1F ZINC000181506975 566145149 /nfs/dbraw/zinc/14/51/49/566145149.db2.gz XHBKVSQPVTYOCY-GFCCVEGCSA-N 0 1 386.514 3.142 20 0 GGADMN CN(CCN[C@@H]1CCCOc2ccc(F)cc21)S(=O)(=O)c1cccs1 ZINC000181503149 566145181 /nfs/dbraw/zinc/14/51/81/566145181.db2.gz RGLRCYGRNOYJOP-OAHLLOKOSA-N 0 1 384.498 3.011 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2cc(F)c(F)c(F)c2)s1 ZINC000181512047 566146934 /nfs/dbraw/zinc/14/69/34/566146934.db2.gz ACZZEKIXIQRDQN-JTQLQIEISA-N 0 1 378.441 3.103 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000181515954 566147127 /nfs/dbraw/zinc/14/71/27/566147127.db2.gz VJKIUSZAZAMTLU-RYUDHWBXSA-N 0 1 387.307 3.444 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCCOc3cc(C)ccc32)s1 ZINC000181511623 566147199 /nfs/dbraw/zinc/14/71/99/566147199.db2.gz ARJPNAFKCLFAHB-MRXNPFEDSA-N 0 1 380.535 3.147 20 0 GGADMN COC(=O)c1coc(CNC(C)(C)COc2ncccc2Br)c1 ZINC000181518374 566147302 /nfs/dbraw/zinc/14/73/02/566147302.db2.gz RWSSTIVEKSKNRJ-UHFFFAOYSA-N 0 1 383.242 3.171 20 0 GGADMN C[C@H](NCC(C)(C)C1(O)CCOCC1)c1ncc(Br)cc1F ZINC000417350763 566148035 /nfs/dbraw/zinc/14/80/35/566148035.db2.gz AEHRPEBAPCQZER-NSHDSACASA-N 0 1 375.282 3.202 20 0 GGADMN CO[C@H](CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)CC(C)C ZINC000417363019 566148267 /nfs/dbraw/zinc/14/82/67/566148267.db2.gz LDMYTURWRWGMNE-MNOVXSKESA-N 0 1 383.341 3.353 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000181530817 566148246 /nfs/dbraw/zinc/14/82/46/566148246.db2.gz YAYXCPNCXPTIMK-OLZOCXBDSA-N 0 1 386.323 3.161 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000262226188 566148412 /nfs/dbraw/zinc/14/84/12/566148412.db2.gz WBTFINJUCFROIY-BJOHPYRUSA-N 0 1 398.282 3.247 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Br)c1 ZINC000262192132 566148475 /nfs/dbraw/zinc/14/84/75/566148475.db2.gz REWMTCLQMKQOFY-FHSNZYRGSA-N 0 1 395.297 3.271 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Br)c1 ZINC000262192132 566148479 /nfs/dbraw/zinc/14/84/79/566148479.db2.gz REWMTCLQMKQOFY-FHSNZYRGSA-N 0 1 395.297 3.271 20 0 GGADMN O=C(C[C@H]1COCCN1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000262185068 566148500 /nfs/dbraw/zinc/14/85/00/566148500.db2.gz LLJFKTMFFTZRCY-PKOBYXMFSA-N 0 1 389.293 3.033 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000262214756 566148522 /nfs/dbraw/zinc/14/85/22/566148522.db2.gz OMXPHQMLEZKLHH-CYBMUJFWSA-N 0 1 382.247 3.498 20 0 GGADMN C[C@@H](NCC(=O)Nc1cccc(I)c1)c1cccc(O)c1 ZINC000181557112 566148689 /nfs/dbraw/zinc/14/86/89/566148689.db2.gz QXISQXFETKKHBF-LLVKDONJSA-N 0 1 396.228 3.286 20 0 GGADMN O=C1[C@@H](NCc2cnn(CC(F)F)c2)CCN1c1ccc(Cl)cc1Cl ZINC000366367575 566149264 /nfs/dbraw/zinc/14/92/64/566149264.db2.gz YKLVHEPZAUUZHF-ZDUSSCGKSA-N 0 1 389.233 3.350 20 0 GGADMN C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1ccccc1I ZINC000417379170 566149587 /nfs/dbraw/zinc/14/95/87/566149587.db2.gz GAZLPWQCRJERGC-WDEREUQCSA-N 0 1 380.220 3.281 20 0 GGADMN C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1ccccc1I ZINC000417379166 566149595 /nfs/dbraw/zinc/14/95/95/566149595.db2.gz GAZLPWQCRJERGC-GHMZBOCLSA-N 0 1 380.220 3.281 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(I)cc1)c1cccc(O)c1 ZINC000181556816 566149690 /nfs/dbraw/zinc/14/96/90/566149690.db2.gz IWUJDLDECWHTHN-NSHDSACASA-N 0 1 396.228 3.286 20 0 GGADMN COC[C@H](N)C(=O)N[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000262257187 566149756 /nfs/dbraw/zinc/14/97/56/566149756.db2.gz JBZNZICPHZXPTP-ZANVPECISA-N 0 1 398.326 3.032 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1NCCc2ccccc21 ZINC000262381761 566152073 /nfs/dbraw/zinc/15/20/73/566152073.db2.gz XYCLIQPLAVGVIH-KRWDZBQOSA-N 0 1 385.316 3.300 20 0 GGADMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)N1CCNC[C@@H]1C 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C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000263369712 566183530 /nfs/dbraw/zinc/18/35/30/566183530.db2.gz UZHYTCNGLMAJFN-JQWIXIFHSA-N 0 1 380.242 3.042 20 0 GGADMN CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc(Br)c1OC(F)F ZINC000263396848 566184065 /nfs/dbraw/zinc/18/40/65/566184065.db2.gz GYLRHIKDAWJXJF-QMMMGPOBSA-N 0 1 382.201 3.354 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000263474932 566185176 /nfs/dbraw/zinc/18/51/76/566185176.db2.gz IWRSAEAVWMNJGP-UHFFFAOYSA-N 0 1 386.279 3.443 20 0 GGADMN CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263440078 566185712 /nfs/dbraw/zinc/18/57/12/566185712.db2.gz WCUBLILKIQETNM-CYBMUJFWSA-N 0 1 386.286 3.161 20 0 GGADMN CC(=O)NCC[N@H+](CCCCc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-] ZINC000263440803 566185809 /nfs/dbraw/zinc/18/58/09/566185809.db2.gz WMASYKHUVAYKQM-GFCCVEGCSA-N 0 1 375.296 3.227 20 0 GGADMN CC(C)Sc1cccc(Cl)c1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263475530 566185826 /nfs/dbraw/zinc/18/58/26/566185826.db2.gz FGCYEZZAXPPZMW-AWEZNQCLSA-N 0 1 386.945 3.058 20 0 GGADMN COc1cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc(Br)c1OC(F)F ZINC000263467858 566186070 /nfs/dbraw/zinc/18/60/70/566186070.db2.gz DAAYSOILYHJIHY-QMMMGPOBSA-N 0 1 382.201 3.212 20 0 GGADMN Brc1cncc(CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182157927 566186487 /nfs/dbraw/zinc/18/64/87/566186487.db2.gz QTUGSTDEYQJJNQ-SFHVURJKSA-N 0 1 376.298 3.007 20 0 GGADMN C[C@H](CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1)c1cccc(Br)c1 ZINC000263480417 566186730 /nfs/dbraw/zinc/18/67/30/566186730.db2.gz GELVUJDNIWLISO-PBHICJAKSA-N 0 1 383.330 3.424 20 0 GGADMN CN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@H]1CCCN(C)C1 ZINC000182168162 566187001 /nfs/dbraw/zinc/18/70/01/566187001.db2.gz RMWJBHHELFZMEV-LBPRGKRZSA-N 0 1 396.260 3.409 20 0 GGADMN CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000263504382 566187374 /nfs/dbraw/zinc/18/73/74/566187374.db2.gz LOUIDUZKRBQQKH-QGZVFWFLSA-N 0 1 386.286 3.161 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000263490855 566187490 /nfs/dbraw/zinc/18/74/90/566187490.db2.gz IMPDGGAQJFYGEG-UHFFFAOYSA-N 0 1 375.296 3.373 20 0 GGADMN CC[N@H+](C)C[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290767690 566187728 /nfs/dbraw/zinc/18/77/28/566187728.db2.gz IPSIUQIYJMOGKO-GFCCVEGCSA-N 0 1 392.297 3.117 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290767690 566187733 /nfs/dbraw/zinc/18/77/33/566187733.db2.gz IPSIUQIYJMOGKO-GFCCVEGCSA-N 0 1 392.297 3.117 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C[C@H](C)c2cccc(Br)c2)CC1 ZINC000263530944 566189242 /nfs/dbraw/zinc/18/92/42/566189242.db2.gz WLMCZRKGKCLEPU-AWEZNQCLSA-N 0 1 383.330 3.424 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000263521381 566189294 /nfs/dbraw/zinc/18/92/94/566189294.db2.gz RDALEUQRTSEMSR-NSHDSACASA-N 0 1 380.286 3.404 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccnc3c(Br)cccc23)C1 ZINC000263565744 566189776 /nfs/dbraw/zinc/18/97/76/566189776.db2.gz VXDYIMCSLOTMGY-UHFFFAOYSA-N 0 1 378.270 3.347 20 0 GGADMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(F)cc1I ZINC000418016093 566189914 /nfs/dbraw/zinc/18/99/14/566189914.db2.gz ZSEQMFBCLXYFPR-VHSXEESVSA-N 0 1 379.213 3.108 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)CCN1 ZINC000418017692 566190244 /nfs/dbraw/zinc/19/02/44/566190244.db2.gz HUBWIHZRPUTKFC-GXFFZTMASA-N 0 1 394.235 3.446 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc3cc(Br)c(F)cc3n2)C1 ZINC000263547228 566190322 /nfs/dbraw/zinc/19/03/22/566190322.db2.gz HYTDMYSDTXSDOT-UHFFFAOYSA-N 0 1 396.260 3.486 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000263572857 566190412 /nfs/dbraw/zinc/19/04/12/566190412.db2.gz LNNLSLMBDSNILT-BKGUAONASA-N 0 1 383.275 3.285 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2nnc(Cc3ccc(Cl)cc3)s2)C1 ZINC000263556647 566190731 /nfs/dbraw/zinc/19/07/31/566190731.db2.gz OSFZCJCYGQXJTA-UHFFFAOYSA-N 0 1 380.901 3.132 20 0 GGADMN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000182248453 566192990 /nfs/dbraw/zinc/19/29/90/566192990.db2.gz LCZCSXJDIUJXCO-DGCLKSJQSA-N 0 1 379.258 3.378 20 0 GGADMN CCc1nnc(NC(=O)CCc2ncc(-c3ccccc3Br)o2)[nH]1 ZINC000182266637 566194211 /nfs/dbraw/zinc/19/42/11/566194211.db2.gz IYUURWYBHMZQQX-UHFFFAOYSA-N 0 1 390.241 3.356 20 0 GGADMN CCc1n[nH]c(NC(=O)CCc2ncc(-c3ccccc3Br)o2)n1 ZINC000182266637 566194217 /nfs/dbraw/zinc/19/42/17/566194217.db2.gz IYUURWYBHMZQQX-UHFFFAOYSA-N 0 1 390.241 3.356 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3I)CC[C@H]2C1 ZINC000418078689 566196527 /nfs/dbraw/zinc/19/65/27/566196527.db2.gz WLQOTEXLDRNLNH-YWPYICTPSA-N 0 1 389.252 3.413 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000263777035 566196768 /nfs/dbraw/zinc/19/67/68/566196768.db2.gz UOVDXKIIHMICPK-UHFFFAOYSA-N 0 1 382.507 3.121 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3I)CC[C@@H]2C1 ZINC000418078686 566196813 /nfs/dbraw/zinc/19/68/13/566196813.db2.gz WLQOTEXLDRNLNH-LALPHHSUSA-N 0 1 389.252 3.413 20 0 GGADMN O=S(=O)(Nc1ccc2scnc2c1)c1ccc(OCC(F)(F)F)nc1 ZINC000182341950 566197389 /nfs/dbraw/zinc/19/73/89/566197389.db2.gz WVYYPVHZYJLKBI-UHFFFAOYSA-N 0 1 389.380 3.433 20 0 GGADMN Cc1n[nH]cc1CCCNCc1c(Br)cncc1Br ZINC000290951329 566197648 /nfs/dbraw/zinc/19/76/48/566197648.db2.gz VDCCJNALDREMGO-UHFFFAOYSA-N 0 1 388.107 3.361 20 0 GGADMN COc1cc(CN2CCC(n3cc(Br)cn3)CC2)cc(OC)c1O ZINC000367355527 566198190 /nfs/dbraw/zinc/19/81/90/566198190.db2.gz CUDZDGVAFZITHA-UHFFFAOYSA-N 0 1 396.285 3.206 20 0 GGADMN CN1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3Br)c2C1 ZINC000367374886 566199398 /nfs/dbraw/zinc/19/93/98/566199398.db2.gz NFPVCIQOIYGRBY-UHFFFAOYSA-N 0 1 385.258 3.334 20 0 GGADMN CC(C)(CNCc1c(F)ccc(Br)c1F)C1(O)CCOCC1 ZINC000418139403 566199526 /nfs/dbraw/zinc/19/95/26/566199526.db2.gz VXEGQJGANAPILE-UHFFFAOYSA-N 0 1 378.257 3.385 20 0 GGADMN FC(F)CN1CC[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000418139384 566199858 /nfs/dbraw/zinc/19/98/58/566199858.db2.gz UNLVBGHRTDYQIY-JTQLQIEISA-N 0 1 376.238 3.003 20 0 GGADMN Cc1cc(CNCc2ccc(I)c(Cl)c2)n(C)n1 ZINC000418130962 566199935 /nfs/dbraw/zinc/19/99/35/566199935.db2.gz COOUBWWMIGLVIY-UHFFFAOYSA-N 0 1 375.641 3.276 20 0 GGADMN OC[C@@H](CC1CCCCC1)NCc1ncc(I)s1 ZINC000418131501 566200174 /nfs/dbraw/zinc/20/01/74/566200174.db2.gz WLPVPNXPOJDFPW-LLVKDONJSA-N 0 1 380.295 3.169 20 0 GGADMN CCOc1ccc(-c2nc(CC(=O)Nc3nc(SC)n[nH]3)cs2)cc1 ZINC000263890912 566200270 /nfs/dbraw/zinc/20/02/70/566200270.db2.gz ZZMQYSVZHWYZPC-UHFFFAOYSA-N 0 1 375.479 3.230 20 0 GGADMN FC(F)CN1CC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000418135869 566200277 /nfs/dbraw/zinc/20/02/77/566200277.db2.gz QAEZYPPUVZVPHF-JTQLQIEISA-N 0 1 376.238 3.003 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2ccccc2Br)cc1 ZINC000182384746 566201638 /nfs/dbraw/zinc/20/16/38/566201638.db2.gz ZQRWPYFCODDCTI-MRXNPFEDSA-N 0 1 393.281 3.110 20 0 GGADMN Brc1cc(CNCc2cnc3n2CCCC3)cc2c1OCCCO2 ZINC000367416120 566201777 /nfs/dbraw/zinc/20/17/77/566201777.db2.gz SPBRDAZLOOTOKI-UHFFFAOYSA-N 0 1 392.297 3.433 20 0 GGADMN COCCOc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1OC ZINC000263983521 566203250 /nfs/dbraw/zinc/20/32/50/566203250.db2.gz APNRBSCDPBGBNM-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN C[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CCC1)c1nnc[nH]1 ZINC000182440823 566205371 /nfs/dbraw/zinc/20/53/71/566205371.db2.gz MOUOUIDCGJPGFD-NSHDSACASA-N 0 1 378.274 3.049 20 0 GGADMN O[C@H](CN1CCN(CCc2cccs2)CC1)c1ccc(Br)cc1 ZINC000264090888 566205399 /nfs/dbraw/zinc/20/53/99/566205399.db2.gz BENVCTGMOUZSPD-GOSISDBHSA-N 0 1 395.366 3.404 20 0 GGADMN C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2)CCC1)c1nnc[nH]1 ZINC000182440842 566205918 /nfs/dbraw/zinc/20/59/18/566205918.db2.gz MOUOUIDCGJPGFD-LLVKDONJSA-N 0 1 378.274 3.049 20 0 GGADMN Cc1cccc(O)c1NS(=O)(=O)c1cccc(I)c1 ZINC000182471211 566206284 /nfs/dbraw/zinc/20/62/84/566206284.db2.gz YKOKNDXBIAQWQA-UHFFFAOYSA-N 0 1 389.214 3.106 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2NCc1ccc(Cl)c(Br)c1 ZINC000367592640 566208204 /nfs/dbraw/zinc/20/82/04/566208204.db2.gz FWSUVAWNRBIQRN-OAHLLOKOSA-N 0 1 384.705 3.459 20 0 GGADMN Cc1nc(CN2CCN(CCC(=O)Nc3ccccc3Cl)CC2)cs1 ZINC000264244242 566208564 /nfs/dbraw/zinc/20/85/64/566208564.db2.gz VYRYQCPMLSKLRV-UHFFFAOYSA-N 0 1 378.929 3.251 20 0 GGADMN O=C(NC[C@@H]1CCCN(C(=O)c2cscc2Br)C1)C(F)(F)F ZINC000291189807 566208956 /nfs/dbraw/zinc/20/89/56/566208956.db2.gz TYGCZRBZGJOLNR-QMMMGPOBSA-N 0 1 399.232 3.041 20 0 GGADMN C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000182641805 566218200 /nfs/dbraw/zinc/21/82/00/566218200.db2.gz SSJJOGGBOAXYAX-CYBMUJFWSA-N 0 1 377.282 3.405 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000182641805 566218203 /nfs/dbraw/zinc/21/82/03/566218203.db2.gz SSJJOGGBOAXYAX-CYBMUJFWSA-N 0 1 377.282 3.405 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)n1 ZINC000182674847 566219041 /nfs/dbraw/zinc/21/90/41/566219041.db2.gz XEWQVCFGLFBUOB-LLVKDONJSA-N 0 1 381.885 3.191 20 0 GGADMN CCN1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000264631033 566220159 /nfs/dbraw/zinc/22/01/59/566220159.db2.gz NWXLRKHTIQUSPP-UHFFFAOYSA-N 0 1 380.901 3.036 20 0 GGADMN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(C)oc2C)c1C ZINC000182787642 566224140 /nfs/dbraw/zinc/22/41/40/566224140.db2.gz MABIDMYZMFBZOA-UHFFFAOYSA-N 0 1 386.495 3.157 20 0 GGADMN C[C@H](CNC(=O)N[C@H](C)c1nnc[nH]1)Sc1ccc(Br)cc1 ZINC000182821054 566225685 /nfs/dbraw/zinc/22/56/85/566225685.db2.gz UROHPQBWMQFMAX-NXEZZACHSA-N 0 1 384.303 3.108 20 0 GGADMN CN1CCN(C)[C@H](CNC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000264892916 566226543 /nfs/dbraw/zinc/22/65/43/566226543.db2.gz VTRVPDCBOBVKNY-PBHICJAKSA-N 0 1 385.339 3.086 20 0 GGADMN O=C1N=NC([C@H]2CCCN(c3nc(C(F)(F)F)c(Br)s3)C2)O1 ZINC000418944493 566228858 /nfs/dbraw/zinc/22/88/58/566228858.db2.gz KAUGBNPDVWMDMY-YFKPBYRVSA-N 0 1 399.192 3.397 20 0 GGADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000182905831 566228889 /nfs/dbraw/zinc/22/88/89/566228889.db2.gz QFPQCDNHIJKKMM-LBPRGKRZSA-N 0 1 389.721 3.189 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000182905831 566228891 /nfs/dbraw/zinc/22/88/91/566228891.db2.gz QFPQCDNHIJKKMM-LBPRGKRZSA-N 0 1 389.721 3.189 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)[C@H](NCc1ccc(Br)cc1)CCC2 ZINC000368067628 566229574 /nfs/dbraw/zinc/22/95/74/566229574.db2.gz ZLTUOFPUKMJIBP-QGZVFWFLSA-N 0 1 395.322 3.264 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)[C@@H](NCc1ccc(Br)cc1)CCC2 ZINC000368067627 566229760 /nfs/dbraw/zinc/22/97/60/566229760.db2.gz ZLTUOFPUKMJIBP-KRWDZBQOSA-N 0 1 395.322 3.264 20 0 GGADMN O=C(CN1CCN(C2CCC2)CC1)Nc1ccc(Br)cc1Cl ZINC000265095241 566231354 /nfs/dbraw/zinc/23/13/54/566231354.db2.gz BYYCCCXJFYMSFB-UHFFFAOYSA-N 0 1 386.721 3.211 20 0 GGADMN FC(F)(F)CN1CC[C@H](CNCc2nc3ccccn3c2Br)C1 ZINC000265101733 566231535 /nfs/dbraw/zinc/23/15/35/566231535.db2.gz SWYAWHBUPJNFFN-LLVKDONJSA-N 0 1 391.235 3.071 20 0 GGADMN COc1cccc([C@@H]2C[C@H]2N[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000419260409 566231691 /nfs/dbraw/zinc/23/16/91/566231691.db2.gz QTOFYEGUOPIUMS-GVDBMIGSSA-N 0 1 375.266 3.130 20 0 GGADMN CO[C@@](C)(CN[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000419248988 566231910 /nfs/dbraw/zinc/23/19/10/566231910.db2.gz YRODRPCZJBTBMQ-WMZOPIPTSA-N 0 1 377.282 3.127 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(Br)s1 ZINC000265181052 566232556 /nfs/dbraw/zinc/23/25/56/566232556.db2.gz QGHKGAPJEVZDPO-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN O=C(CN1CCSC[C@@H]1C1CCC1)NCCc1nc2ccccc2s1 ZINC000419370403 566233655 /nfs/dbraw/zinc/23/36/55/566233655.db2.gz HAZMOLRAXYSZJU-MRXNPFEDSA-N 0 1 375.563 3.173 20 0 GGADMN O=C(c1nc(C2CC2)ncc1Br)N1CCN(C2CCCCC2)CC1 ZINC000291773533 566234672 /nfs/dbraw/zinc/23/46/72/566234672.db2.gz NWYUIBKRSCOPGX-UHFFFAOYSA-N 0 1 393.329 3.207 20 0 GGADMN C[C@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Cl)s1 ZINC000183016876 566235190 /nfs/dbraw/zinc/23/51/90/566235190.db2.gz VMTDRHAOOZQYAB-VIFPVBQESA-N 0 1 397.291 3.320 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(Cl)s1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000183016167 566235337 /nfs/dbraw/zinc/23/53/37/566235337.db2.gz PNDDZWWEFHMHEN-GHMZBOCLSA-N 0 1 386.926 3.483 20 0 GGADMN C[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CCCC1)c1nnc[nH]1 ZINC000183035717 566235702 /nfs/dbraw/zinc/23/57/02/566235702.db2.gz IXNSOJMAWJPAOM-LBPRGKRZSA-N 0 1 392.301 3.439 20 0 GGADMN C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183035242 566235745 /nfs/dbraw/zinc/23/57/45/566235745.db2.gz QLEPAZJMJGWDQA-NEPJUHHUSA-N 0 1 376.444 3.035 20 0 GGADMN C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183035242 566235747 /nfs/dbraw/zinc/23/57/47/566235747.db2.gz QLEPAZJMJGWDQA-NEPJUHHUSA-N 0 1 376.444 3.035 20 0 GGADMN CO[C@@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)CC(C)C ZINC000419511499 566236892 /nfs/dbraw/zinc/23/68/92/566236892.db2.gz XTTYEVYBFXFMMX-LLVKDONJSA-N 0 1 383.290 3.186 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(Br)cn1)[C@H]1OCCc2sccc21 ZINC000368354225 566237257 /nfs/dbraw/zinc/23/72/57/566237257.db2.gz HIJJYYMKKLKPHN-MGPLVRAMSA-N 0 1 396.310 3.136 20 0 GGADMN Cc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(OCC(F)(F)F)c1 ZINC000183099973 566237753 /nfs/dbraw/zinc/23/77/53/566237753.db2.gz NPFRRUZEEAAYIZ-ZBFHGGJFSA-N 0 1 379.444 3.382 20 0 GGADMN O[C@@H](CNCc1csc(-c2cccc(Br)c2)n1)C1CCOCC1 ZINC000265510185 566238228 /nfs/dbraw/zinc/23/82/28/566238228.db2.gz FUCNIOXGRGGJOV-INIZCTEOSA-N 0 1 397.338 3.450 20 0 GGADMN COc1cc(Br)ccc1CCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000183154641 566239894 /nfs/dbraw/zinc/23/98/94/566239894.db2.gz RZYKPALNAQVIKL-KRWDZBQOSA-N 0 1 395.272 3.346 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000368490812 566240379 /nfs/dbraw/zinc/24/03/79/566240379.db2.gz DHINSQQKSBCWFT-XJKSGUPXSA-N 0 1 385.291 3.454 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)[nH]1 ZINC000183216659 566241025 /nfs/dbraw/zinc/24/10/25/566241025.db2.gz MZBHZRLTYANWTH-GFCCVEGCSA-N 0 1 380.342 3.293 20 0 GGADMN O=C(NC[C@@H](O)c1ccsc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000265751715 566241252 /nfs/dbraw/zinc/24/12/52/566241252.db2.gz HVIUDHCDILYXJP-RHSMWYFYSA-N 0 1 379.551 3.054 20 0 GGADMN CC(C)[C@H](NCc1c(Br)cncc1Br)C(C)(C)O ZINC000419699634 566241981 /nfs/dbraw/zinc/24/19/81/566241981.db2.gz WSYRMTZENGWWBV-LBPRGKRZSA-N 0 1 380.124 3.492 20 0 GGADMN CCOC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2Br)n[nH]1 ZINC000183287758 566243008 /nfs/dbraw/zinc/24/30/08/566243008.db2.gz ABUQICAUOLCTJA-UHFFFAOYSA-N 0 1 386.633 3.184 20 0 GGADMN C[C@H](CC[N-]S(=O)(=O)c1sccc1Br)[NH+]1CCCCC1 ZINC000183286919 566243038 /nfs/dbraw/zinc/24/30/38/566243038.db2.gz ULZUHCSOZYGSFK-LLVKDONJSA-N 0 1 381.361 3.053 20 0 GGADMN OC[C@H](CC1CCC1)NCc1c(Br)cncc1Br ZINC000419736192 566243324 /nfs/dbraw/zinc/24/33/24/566243324.db2.gz WUBGSDQXTABKPW-JTQLQIEISA-N 0 1 378.108 3.247 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cnn1C ZINC000183311670 566243776 /nfs/dbraw/zinc/24/37/76/566243776.db2.gz SLZSXGBBQGEMLU-NWDGAFQWSA-N 0 1 379.302 3.477 20 0 GGADMN Cc1nn(C)c(CNc2ccc3c(c2)nc(C)n3[C@@H](C)CO)c1Br ZINC000419756731 566243747 /nfs/dbraw/zinc/24/37/47/566243747.db2.gz BHLVXKNZQJXFPW-JTQLQIEISA-N 0 1 392.301 3.315 20 0 GGADMN CCc1c(NC(=O)c2nnn(C)c2C)[nH]nc1-c1ccc(Br)cc1 ZINC000265956370 566243898 /nfs/dbraw/zinc/24/38/98/566243898.db2.gz ONLIZEYTFXNKOQ-UHFFFAOYSA-N 0 1 389.257 3.091 20 0 GGADMN O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000265961160 566243988 /nfs/dbraw/zinc/24/39/88/566243988.db2.gz YNURTPWRZXQAMF-SNVBAGLBSA-N 0 1 387.351 3.200 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000265994109 566244465 /nfs/dbraw/zinc/24/44/65/566244465.db2.gz BOKRTSOBNLVDAW-AWEZNQCLSA-N 0 1 394.269 3.100 20 0 GGADMN CCN1CCCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC000266074786 566245729 /nfs/dbraw/zinc/24/57/29/566245729.db2.gz AIHKHOIHVZRNLT-UHFFFAOYSA-N 0 1 376.913 3.449 20 0 GGADMN Clc1ccc(-n2cc(CNCCCOC[C@@H]3CCCO3)nn2)cc1Cl ZINC000183406798 566246167 /nfs/dbraw/zinc/24/61/67/566246167.db2.gz IPOLKSSSJKGYMR-HNNXBMFYSA-N 0 1 385.295 3.249 20 0 GGADMN CCS(=O)(=O)C[C@H](C)NCc1ccc(Br)cc1C(F)(F)F ZINC000183413390 566246173 /nfs/dbraw/zinc/24/61/73/566246173.db2.gz LDOIFPVEPQBKNK-VIFPVBQESA-N 0 1 388.249 3.381 20 0 GGADMN CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000183434738 566246949 /nfs/dbraw/zinc/24/69/49/566246949.db2.gz TUZIJSCXLVWGJQ-KGLIPLIRSA-N 0 1 392.297 3.462 20 0 GGADMN COC[C@@H](NCc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000183469368 566247499 /nfs/dbraw/zinc/24/74/99/566247499.db2.gz QMWJGHRQLYIXEO-OAHLLOKOSA-N 0 1 398.244 3.461 20 0 GGADMN Cc1nc(C)c(CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)c(=O)[nH]1 ZINC000266320789 566248906 /nfs/dbraw/zinc/24/89/06/566248906.db2.gz RABVXVKBABBHNZ-UHFFFAOYSA-N 0 1 390.241 3.009 20 0 GGADMN O=C(Nc1ccccc1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000369043738 566249336 /nfs/dbraw/zinc/24/93/36/566249336.db2.gz CQAHXEOGPYLXEG-UHFFFAOYSA-N 0 1 396.329 3.415 20 0 GGADMN CSc1ccccc1C(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000369073632 566249667 /nfs/dbraw/zinc/24/96/67/566249667.db2.gz CRDFCQMCEUGTBY-AWEZNQCLSA-N 0 1 377.832 3.234 20 0 GGADMN C[C@H](CNC(=O)[C@@H]1CCCc2[nH]cnc21)Oc1ccccc1Br ZINC000369133134 566249938 /nfs/dbraw/zinc/24/99/38/566249938.db2.gz AFBOIEZQNNESAM-VXGBXAGGSA-N 0 1 378.270 3.176 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444758558 566250381 /nfs/dbraw/zinc/25/03/81/566250381.db2.gz OIAMAFIOYOCQDQ-QMTHXVAHSA-N 0 1 382.785 3.167 20 0 GGADMN C[C@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC(=O)NC1CC1 ZINC000481745897 566250537 /nfs/dbraw/zinc/25/05/37/566250537.db2.gz DNACIRDUUPKETQ-VFZGTOFNSA-N 0 1 398.276 3.006 20 0 GGADMN C[C@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC[C@@H]1CCCO1 ZINC000481742546 566250595 /nfs/dbraw/zinc/25/05/95/566250595.db2.gz LWEOAWCMDUCJDJ-GOPGUHFVSA-N 0 1 399.304 3.313 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444758559 566250681 /nfs/dbraw/zinc/25/06/81/566250681.db2.gz OIAMAFIOYOCQDQ-YGRLFVJLSA-N 0 1 382.785 3.167 20 0 GGADMN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(Br)cc1 ZINC000444747336 566250784 /nfs/dbraw/zinc/25/07/84/566250784.db2.gz JDWHBMZEMYXICO-BBRMVZONSA-N 0 1 397.313 3.044 20 0 GGADMN CN(Cc1ccc2c(c1)oc(=O)n2C)[C@H](CO)c1cccc(Br)c1 ZINC000508892052 566250811 /nfs/dbraw/zinc/25/08/11/566250811.db2.gz WDZBGYBQYMHNCE-MRXNPFEDSA-N 0 1 391.265 3.059 20 0 GGADMN Cn1c(=O)oc2cc(CN(CCO)Cc3ccc(Cl)c(Cl)c3)ccc21 ZINC000508894846 566251207 /nfs/dbraw/zinc/25/12/07/566251207.db2.gz NPSCSXKVDRVNKZ-UHFFFAOYSA-N 0 1 381.259 3.433 20 0 GGADMN OC[C@@H](CC(F)(F)F)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000555770568 566251513 /nfs/dbraw/zinc/25/15/13/566251513.db2.gz KDGZHJLEOPBPOL-GFCCVEGCSA-N 0 1 378.192 3.038 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000508935139 566252211 /nfs/dbraw/zinc/25/22/11/566252211.db2.gz UCLGZPVWSDQVHL-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000444807035 566252775 /nfs/dbraw/zinc/25/27/75/566252775.db2.gz YHXZRLQMTMCTMQ-PBHICJAKSA-N 0 1 375.296 3.088 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1CC[C@H]1CCNC1=O ZINC000575119787 566253019 /nfs/dbraw/zinc/25/30/19/566253019.db2.gz MYJZGODZUJBFEW-WBMJQRKESA-N 0 1 384.307 3.313 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000508979194 566253215 /nfs/dbraw/zinc/25/32/15/566253215.db2.gz REZBKWWWLMFKQG-QFBILLFUSA-N 0 1 395.341 3.408 20 0 GGADMN CC[C@@H]1CN([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C[C@H]1O ZINC000508980469 566253543 /nfs/dbraw/zinc/25/35/43/566253543.db2.gz WOWCJAATIRGRQA-DJIMGWMZSA-N 0 1 395.341 3.264 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(Br)cc2cccnc21 ZINC000534765805 566254216 /nfs/dbraw/zinc/25/42/16/566254216.db2.gz KSXHVFZHVQNMDK-UHFFFAOYSA-N 0 1 395.220 3.430 20 0 GGADMN CN1CCCC[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000599323201 566254247 /nfs/dbraw/zinc/25/42/47/566254247.db2.gz OHELNUCFVUBVRF-KRWDZBQOSA-N 0 1 395.341 3.098 20 0 GGADMN Cn1cc(N2CCC[C@@H](N[C@@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cn1 ZINC000534793137 566254318 /nfs/dbraw/zinc/25/43/18/566254318.db2.gz KJCREHUPIMRGNG-IAGOWNOFSA-N 0 1 379.291 3.499 20 0 GGADMN Cn1cc(N2CCC[C@H](N[C@@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cn1 ZINC000534793140 566254636 /nfs/dbraw/zinc/25/46/36/566254636.db2.gz KJCREHUPIMRGNG-SJORKVTESA-N 0 1 379.291 3.499 20 0 GGADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462152311 566255309 /nfs/dbraw/zinc/25/53/09/566255309.db2.gz SODQBMAFPHHXMU-NSHDSACASA-N 0 1 381.325 3.155 20 0 GGADMN O=C(CC1(O)CCCCC1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000534804468 566255497 /nfs/dbraw/zinc/25/54/97/566255497.db2.gz OBIFOXSQBGOUCN-UHFFFAOYSA-N 0 1 379.258 3.258 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444876614 566255432 /nfs/dbraw/zinc/25/54/32/566255432.db2.gz NMZZORJQQMJYJE-CYBMUJFWSA-N 0 1 398.345 3.320 20 0 GGADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)Nc1cc(C)on1 ZINC000481836737 566255810 /nfs/dbraw/zinc/25/58/10/566255810.db2.gz LBSLOSVPLAHJDL-CQSZACIVSA-N 0 1 380.286 3.059 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444873911 566255967 /nfs/dbraw/zinc/25/59/67/566255967.db2.gz KDMGDTVIHDZYEZ-ZDUSSCGKSA-N 0 1 398.345 3.320 20 0 GGADMN COC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000575163267 566256078 /nfs/dbraw/zinc/25/60/78/566256078.db2.gz HNQSZNUYGGJCJN-LBPRGKRZSA-N 0 1 375.824 3.154 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1sc(C)cc1Br ZINC000462151474 566256323 /nfs/dbraw/zinc/25/63/23/566256323.db2.gz PBFRDZMVQGQPBM-LBPRGKRZSA-N 0 1 395.388 3.362 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cn2)C[C@@H](C)O1 ZINC000481850147 566257235 /nfs/dbraw/zinc/25/72/35/566257235.db2.gz ZKYLTDXTXFFPLW-CHWSQXEVSA-N 0 1 381.885 3.149 20 0 GGADMN CC(C)Cn1nccc1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000575183018 566257611 /nfs/dbraw/zinc/25/76/11/566257611.db2.gz RYYWGYMMHUEWMZ-UHFFFAOYSA-N 0 1 389.257 3.339 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)cs1 ZINC000481869368 566259801 /nfs/dbraw/zinc/25/98/01/566259801.db2.gz OMNWZOYENWLQGB-UHFFFAOYSA-N 0 1 388.898 3.051 20 0 GGADMN FCCn1ncnc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000555924755 566259818 /nfs/dbraw/zinc/25/98/18/566259818.db2.gz HBAWEPLZAHSEAE-UHFFFAOYSA-N 0 1 383.250 3.088 20 0 GGADMN O=C(Nc1cc(Cl)c(O)cc1F)c1cncc(I)c1 ZINC000575201703 566260159 /nfs/dbraw/zinc/26/01/59/566260159.db2.gz KNOZIXLNINDAJS-UHFFFAOYSA-N 0 1 392.555 3.437 20 0 GGADMN CC[C@H]1CN(Cc2coc(-c3ccc(I)cc3)n2)C[C@@H]1O ZINC000534863620 566260128 /nfs/dbraw/zinc/26/01/28/566260128.db2.gz LWQSHGLYJJHWJU-NHYWBVRUSA-N 0 1 398.244 3.149 20 0 GGADMN CCCCC[C@H]1NC(=O)N(Cc2nc3cccc(Br)c3[nH]2)C1=O ZINC000420030069 566260803 /nfs/dbraw/zinc/26/08/03/566260803.db2.gz JOHXKZSEIYCERJ-GFCCVEGCSA-N 0 1 379.258 3.326 20 0 GGADMN CC1CCC2(CC1)NC(=O)N(Cc1nc3cccc(Br)c3[nH]1)C2=O ZINC000420026925 566261084 /nfs/dbraw/zinc/26/10/84/566261084.db2.gz FFQQLQWADZTVFM-UHFFFAOYSA-N 0 1 391.269 3.326 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000481891558 566261073 /nfs/dbraw/zinc/26/10/73/566261073.db2.gz UHGKMSZAZSZAKW-UHFFFAOYSA-N 0 1 384.885 3.220 20 0 GGADMN CCCN1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)[C@H]1CC ZINC000420030462 566261179 /nfs/dbraw/zinc/26/11/79/566261179.db2.gz KDMHOMPRHNEXPP-GFCCVEGCSA-N 0 1 379.258 3.278 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000555937121 566261305 /nfs/dbraw/zinc/26/13/05/566261305.db2.gz CBQBITRREYYMMI-AWEZNQCLSA-N 0 1 377.941 3.434 20 0 GGADMN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000555947126 566261555 /nfs/dbraw/zinc/26/15/55/566261555.db2.gz GPINOXSKHZOSOX-CQSZACIVSA-N 0 1 392.830 3.339 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000555937122 566262386 /nfs/dbraw/zinc/26/23/86/566262386.db2.gz CBQBITRREYYMMI-CQSZACIVSA-N 0 1 377.941 3.434 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc2c1OCO2 ZINC000509095417 566263041 /nfs/dbraw/zinc/26/30/41/566263041.db2.gz DHYMJHHEFSXTNX-UHFFFAOYSA-N 0 1 377.752 3.471 20 0 GGADMN COc1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)nn1 ZINC000509103502 566263249 /nfs/dbraw/zinc/26/32/49/566263249.db2.gz PEFHXLLLKQQHOZ-UHFFFAOYSA-N 0 1 378.255 3.325 20 0 GGADMN C[C@H](O)C[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000555951660 566263232 /nfs/dbraw/zinc/26/32/32/566263232.db2.gz BMKHZQKYQHQXRW-WCQYABFASA-N 0 1 389.851 3.451 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc2c(c1)OCC(=O)N2 ZINC000534940879 566265096 /nfs/dbraw/zinc/26/50/96/566265096.db2.gz FLDLSVKVPUJASV-UHFFFAOYSA-N 0 1 397.612 3.391 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)[C@H](C)c2ccccc2)cc1O ZINC000668752990 566265256 /nfs/dbraw/zinc/26/52/56/566265256.db2.gz ZQLUGONXDQLWAB-PXAZEXFGSA-N 0 1 380.282 3.418 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)C1(C(=O)NC2CC2)CCC1 ZINC000534940934 566265415 /nfs/dbraw/zinc/26/54/15/566265415.db2.gz HDDMBVFQFUFMFK-UHFFFAOYSA-N 0 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CCC[N@@H+](Cc1c(C(=O)[O-])sc2cccc(F)c21)[C@H]1CCS(=O)(=O)C1 ZINC000575322546 566266437 /nfs/dbraw/zinc/26/64/37/566266437.db2.gz LBHOABJOHYKWFC-NSHDSACASA-N 0 1 385.482 3.138 20 0 GGADMN COC(=O)C[C@](C)(NCCOc1ccc(Br)cc1)c1ccccn1 ZINC000509134728 566266799 /nfs/dbraw/zinc/26/67/99/566266799.db2.gz CMCBMZIBVDMTDF-SFHVURJKSA-N 0 1 393.281 3.291 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCC2(c3ccccc3Br)CC2)n[nH]1 ZINC000534962336 566267101 /nfs/dbraw/zinc/26/71/01/566267101.db2.gz AWWZAAQAWYPYBT-LLVKDONJSA-N 0 1 392.301 3.222 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000599473119 566267319 /nfs/dbraw/zinc/26/73/19/566267319.db2.gz XCDRJICNZREAJA-KRWDZBQOSA-N 0 1 387.307 3.004 20 0 GGADMN CSC1(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)CCC1 ZINC000575367670 566267445 /nfs/dbraw/zinc/26/74/45/566267445.db2.gz MGLUAKLNRPEQJY-UHFFFAOYSA-N 0 1 383.355 3.493 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CC[C@H](O)[C@@H](C)C2)C1=O ZINC000509144061 566267523 /nfs/dbraw/zinc/26/75/23/566267523.db2.gz 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CCCCOCCN(C(=O)Cc1n[nH]c(C)n1)c1ccc(Br)cc1 ZINC000668882964 566272862 /nfs/dbraw/zinc/27/28/62/566272862.db2.gz GMACOPCDVRIBQG-UHFFFAOYSA-N 0 1 395.301 3.268 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000535018180 566273085 /nfs/dbraw/zinc/27/30/85/566273085.db2.gz PESSZKRNIIHCGS-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000535018180 566273091 /nfs/dbraw/zinc/27/30/91/566273091.db2.gz PESSZKRNIIHCGS-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)s1 ZINC000462274721 566273175 /nfs/dbraw/zinc/27/31/75/566273175.db2.gz DXSQIHRPJZYMLI-LLVKDONJSA-N 0 1 393.372 3.114 20 0 GGADMN CSc1cccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000509186352 566273204 /nfs/dbraw/zinc/27/32/04/566273204.db2.gz MZXXZSWVWVEYPD-KRWDZBQOSA-N 0 1 376.547 3.304 20 0 GGADMN CC(C)Sc1ccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000575503815 566273411 /nfs/dbraw/zinc/27/34/11/566273411.db2.gz FWOYGTSLJXJGJR-KRWDZBQOSA-N 0 1 382.595 3.481 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000420361040 566273554 /nfs/dbraw/zinc/27/35/54/566273554.db2.gz XSLMOMAAWRSDTL-ZDUSSCGKSA-N 0 1 390.329 3.084 20 0 GGADMN CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)c3cscn3)CC2)cc1 ZINC000535065188 566274448 /nfs/dbraw/zinc/27/44/48/566274448.db2.gz FDZWZLOLQUZXJX-CQSZACIVSA-N 0 1 379.551 3.256 20 0 GGADMN CN(C(=O)CCCC(=O)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000445247803 566274632 /nfs/dbraw/zinc/27/46/32/566274632.db2.gz INFVUIZYAKBBNY-UHFFFAOYSA-N 0 1 381.314 3.355 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC[C@H](c2cc[nH]n2)C1 ZINC000625095105 566275465 /nfs/dbraw/zinc/27/54/65/566275465.db2.gz HCKXJSNYSNVNRG-SUMWQHHRSA-N 0 1 389.297 3.305 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000625095098 566275865 /nfs/dbraw/zinc/27/58/65/566275865.db2.gz HCKXJSNYSNVNRG-CXAGYDPISA-N 0 1 389.297 3.305 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000509204853 566275960 /nfs/dbraw/zinc/27/59/60/566275960.db2.gz YOJNZEMXXBKPDQ-JTQLQIEISA-N 0 1 376.404 3.295 20 0 GGADMN CN(CCNCc1cn(-c2cccc(Cl)c2Cl)nn1)CC(F)(F)F ZINC000535091286 566276468 /nfs/dbraw/zinc/27/64/68/566276468.db2.gz XYVQEJDRRCJQAT-UHFFFAOYSA-N 0 1 382.217 3.158 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000482029696 566277084 /nfs/dbraw/zinc/27/70/84/566277084.db2.gz DVLYBMLKQTUVCJ-LBPRGKRZSA-N 0 1 384.307 3.102 20 0 GGADMN CCCN(CC1CC1)S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000462294287 566277085 /nfs/dbraw/zinc/27/70/85/566277085.db2.gz FOAVKUUJJOADBX-SJLPKXTDSA-N 0 1 385.599 3.087 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C[C@H](C)O1 ZINC000535121749 566277668 /nfs/dbraw/zinc/27/76/68/566277668.db2.gz SDWPQYAFIWKIRN-VNHYZAJKSA-N 0 1 384.307 3.327 20 0 GGADMN Cc1nnc(SCC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)[nH]1 ZINC000482051537 566278831 /nfs/dbraw/zinc/27/88/31/566278831.db2.gz WIINDWGARNCIGW-UHFFFAOYSA-N 0 1 384.292 3.352 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)n1 ZINC000482051537 566278834 /nfs/dbraw/zinc/27/88/34/566278834.db2.gz WIINDWGARNCIGW-UHFFFAOYSA-N 0 1 384.292 3.352 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000575635307 566278877 /nfs/dbraw/zinc/27/88/77/566278877.db2.gz ROYLHUWIAGDFOS-ZKYQVNSYSA-N 0 1 393.285 3.082 20 0 GGADMN O=C(c1cc2c(c(Br)c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000482061248 566279120 /nfs/dbraw/zinc/27/91/20/566279120.db2.gz MLBRLSURPLMRTR-UHFFFAOYSA-N 0 1 395.297 3.268 20 0 GGADMN O=C(c1cc(Cl)c(F)cc1Cl)N1CCN(CC2CCOCC2)CC1 ZINC000556259990 566280134 /nfs/dbraw/zinc/28/01/34/566280134.db2.gz GWUBYCQRILOEEW-UHFFFAOYSA-N 0 1 375.271 3.317 20 0 GGADMN Cc1ccc(S(=O)(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1Cl ZINC000462313626 566280214 /nfs/dbraw/zinc/28/02/14/566280214.db2.gz CYRKINTYGAUJOC-UHFFFAOYSA-N 0 1 378.925 3.026 20 0 GGADMN COC(=O)c1c(Br)ccc(NC(=O)N2CCNC[C@H]2C(C)C)c1C ZINC000599607276 566280714 /nfs/dbraw/zinc/28/07/14/566280714.db2.gz VHYXILFACKEFKL-AWEZNQCLSA-N 0 1 398.301 3.006 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cccc(SC)c2)c(N(C)C)c1 ZINC000509235596 566280853 /nfs/dbraw/zinc/28/08/53/566280853.db2.gz CIAZPJDKHTYXCG-UHFFFAOYSA-N 0 1 380.491 3.062 20 0 GGADMN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000575742776 566281046 /nfs/dbraw/zinc/28/10/46/566281046.db2.gz RYTDIFCRGUGVRR-VIFPVBQESA-N 0 1 379.898 3.202 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000575744619 566281265 /nfs/dbraw/zinc/28/12/65/566281265.db2.gz BDSKYFYHVNFQFA-ZWKOTPCHSA-N 0 1 389.293 3.357 20 0 GGADMN C[C@H](NC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)c1cccc(Cl)c1Cl ZINC000669042095 566281195 /nfs/dbraw/zinc/28/11/95/566281195.db2.gz VQDJFPSADIRIPV-NWDGAFQWSA-N 0 1 386.323 3.160 20 0 GGADMN C[C@@H](NCC(=O)NCC(F)F)c1ccc(Br)cc1C(F)(F)F ZINC000482071547 566281614 /nfs/dbraw/zinc/28/16/14/566281614.db2.gz BKSYNQWJFLKGGK-SSDOTTSWSA-N 0 1 389.162 3.500 20 0 GGADMN Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1cccc2c1OCO2 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Brc1cccc(-c2n[nH]c(-c3noc(C[C@H]4CCCCO4)n3)n2)c1 ZINC000556329337 566285589 /nfs/dbraw/zinc/28/55/89/566285589.db2.gz OOGWRLWWOHDEOZ-GFCCVEGCSA-N 0 1 390.241 3.396 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C[C@@H]4CCCCO4)n3)n2)c1 ZINC000556329338 566285745 /nfs/dbraw/zinc/28/57/45/566285745.db2.gz OOGWRLWWOHDEOZ-LBPRGKRZSA-N 0 1 390.241 3.396 20 0 GGADMN COc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)cc(Cl)cc1C(N)=O ZINC000556350129 566288390 /nfs/dbraw/zinc/28/83/90/566288390.db2.gz STZBKPXRRNJCLH-UHFFFAOYSA-N 0 1 382.869 3.372 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000482158823 566288532 /nfs/dbraw/zinc/28/85/32/566288532.db2.gz SFETWHOZAPQQJM-ZDUSSCGKSA-N 0 1 376.831 3.028 20 0 GGADMN Cc1nc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)sc1Br ZINC000556354479 566288718 /nfs/dbraw/zinc/28/87/18/566288718.db2.gz PMWVBQXAWQYYDJ-JTQLQIEISA-N 0 1 397.342 3.482 20 0 GGADMN CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N(C)Cc1ccc(Cl)s1 ZINC000669130380 566289085 /nfs/dbraw/zinc/28/90/85/566289085.db2.gz 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ZINC000575904482 566295834 /nfs/dbraw/zinc/29/58/34/566295834.db2.gz ZKMORVIZHGEAKG-UHFFFAOYSA-N 0 1 387.261 3.456 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3ccsc3Cl)cc2)CC1 ZINC000669349612 566296060 /nfs/dbraw/zinc/29/60/60/566296060.db2.gz HGVWCPUPOJTGNP-UHFFFAOYSA-N 0 1 379.913 3.280 20 0 GGADMN COC(=O)c1cn([C@H]2CCN(CCCc3c(Cl)cccc3Cl)C2)nn1 ZINC000482254333 566295967 /nfs/dbraw/zinc/29/59/67/566295967.db2.gz IFOCUIQGNFWHPB-LBPRGKRZSA-N 0 1 383.279 3.251 20 0 GGADMN CN(CC(=O)NCC1(c2cccc(Br)c2)CCC1)[C@H]1CCSC1 ZINC000535317249 566296263 /nfs/dbraw/zinc/29/62/63/566296263.db2.gz DRMLVPULPJKXBE-INIZCTEOSA-N 0 1 397.382 3.424 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc(F)c1 ZINC000509386084 566296388 /nfs/dbraw/zinc/29/63/88/566296388.db2.gz PUHJVTRXRLLQKL-UHFFFAOYSA-N 0 1 388.823 3.256 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H](c2ncc[nH]2)C1 ZINC000625255963 566297789 /nfs/dbraw/zinc/29/77/89/566297789.db2.gz WGUAADRNTIZWOP-BBRMVZONSA-N 0 1 389.297 3.305 20 0 GGADMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc4c3OCCO4)cc(Cl)c2O1 ZINC000535347948 566298005 /nfs/dbraw/zinc/29/80/05/566298005.db2.gz YNDDYBPNGUNUAG-SNVBAGLBSA-N 0 1 381.837 3.235 20 0 GGADMN Cc1ccc(CNCC(=O)Nc2ccc(I)cc2)cc1F ZINC000556414086 566298574 /nfs/dbraw/zinc/29/85/74/566298574.db2.gz STTAUSDUVBAPGS-UHFFFAOYSA-N 0 1 398.219 3.467 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC000509391755 566298799 /nfs/dbraw/zinc/29/87/99/566298799.db2.gz LMLOYVIXYSAMJF-UHFFFAOYSA-N 0 1 381.353 3.076 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1F)c1ccc(Cl)c(F)c1 ZINC000535354654 566299726 /nfs/dbraw/zinc/29/97/26/566299726.db2.gz MLASVWPEFJGFBM-OAHLLOKOSA-N 0 1 389.807 3.119 20 0 GGADMN O=S(=O)(NCCNCc1ccc(F)c(Cl)c1)c1ccc(F)cc1Cl ZINC000509405012 566300297 /nfs/dbraw/zinc/30/02/97/566300297.db2.gz YFQAILBFLBMMDG-UHFFFAOYSA-N 0 1 395.258 3.340 20 0 GGADMN O=S(=O)(NCCNCc1ccc(Cl)c(F)c1)c1ccc(F)cc1Cl ZINC000509404411 566300339 /nfs/dbraw/zinc/30/03/39/566300339.db2.gz WLXCLSBDAUPNRS-UHFFFAOYSA-N 0 1 395.258 3.340 20 0 GGADMN CN(C(=O)CNCc1cccc(I)c1)C1CCCCC1 ZINC000556419206 566300535 /nfs/dbraw/zinc/30/05/35/566300535.db2.gz XPVXKMRKHHQYCZ-UHFFFAOYSA-N 0 1 386.277 3.172 20 0 GGADMN O=C1C[C@@H](NCc2cc(Br)ccc2OC(F)F)[C@@H]2CCCCN12 ZINC000509418704 566300999 /nfs/dbraw/zinc/30/09/99/566300999.db2.gz TYKMGJHQHQVXAU-OLZOCXBDSA-N 0 1 389.240 3.294 20 0 GGADMN O=C1C[C@H](NCc2cc(Br)ccc2OC(F)F)[C@@H]2CCCCN12 ZINC000509418706 566301198 /nfs/dbraw/zinc/30/11/98/566301198.db2.gz TYKMGJHQHQVXAU-STQMWFEESA-N 0 1 389.240 3.294 20 0 GGADMN Cc1nc(NC(=O)Cc2n[nH]c3ccccc23)ccc1I ZINC000509416977 566301545 /nfs/dbraw/zinc/30/15/45/566301545.db2.gz OQIWDGKRBLWEKW-UHFFFAOYSA-N 0 1 392.200 3.052 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)s1 ZINC000462438937 566302384 /nfs/dbraw/zinc/30/23/84/566302384.db2.gz GEVAHGKVHFRYRG-WDEREUQCSA-N 0 1 395.388 3.218 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c(Cl)c1Cl ZINC000462437453 566302466 /nfs/dbraw/zinc/30/24/66/566302466.db2.gz AKRAGQQZQQTLRT-NEPJUHHUSA-N 0 1 395.352 3.401 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)s1 ZINC000462438933 566302483 /nfs/dbraw/zinc/30/24/83/566302483.db2.gz GEVAHGKVHFRYRG-GHMZBOCLSA-N 0 1 395.388 3.218 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)c(Cl)c1Cl ZINC000462437455 566302732 /nfs/dbraw/zinc/30/27/32/566302732.db2.gz AKRAGQQZQQTLRT-RYUDHWBXSA-N 0 1 395.352 3.401 20 0 GGADMN CCc1nc(CNCCOc2ccc(I)cc2)cs1 ZINC000509428259 566303172 /nfs/dbraw/zinc/30/31/72/566303172.db2.gz DOQPAHFLSRDJOC-UHFFFAOYSA-N 0 1 388.274 3.479 20 0 GGADMN CCS(=O)(=O)c1cccc(CNCc2ccc(-c3cnn(C)c3)s2)c1 ZINC000509428325 566303608 /nfs/dbraw/zinc/30/36/08/566303608.db2.gz DZMXJRUIBQREKH-UHFFFAOYSA-N 0 1 375.519 3.232 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000482368498 566304031 /nfs/dbraw/zinc/30/40/31/566304031.db2.gz XPAUIYYDMQBXAD-UHFFFAOYSA-N 0 1 378.263 3.279 20 0 GGADMN C[C@@H](CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)n1cc(Br)cn1 ZINC000648719106 566304197 /nfs/dbraw/zinc/30/41/97/566304197.db2.gz XRGIDTFGFOEXLT-LRDDRELGSA-N 0 1 397.292 3.155 20 0 GGADMN C[C@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)n1cc(Br)cn1 ZINC000648715265 566304268 /nfs/dbraw/zinc/30/42/68/566304268.db2.gz NRHDGSWLQNBNFT-YPMHNXCESA-N 0 1 385.331 3.077 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1Br ZINC000462442159 566304433 /nfs/dbraw/zinc/30/44/33/566304433.db2.gz RFXGTOXVOCFWDD-ZIAGYGMSSA-N 0 1 389.359 3.299 20 0 GGADMN Brc1c(-c2ccccc2)n[nH]c1-c1nc(Cc2cnccn2)no1 ZINC000445682590 566305143 /nfs/dbraw/zinc/30/51/43/566305143.db2.gz OHLOJVBYTOTGKE-UHFFFAOYSA-N 0 1 383.209 3.270 20 0 GGADMN O=C(Cc1csc2nccn12)Nc1nc2ccc(Br)cc2[nH]1 ZINC000482382726 566305203 /nfs/dbraw/zinc/30/52/03/566305203.db2.gz IJXVCVZSHNXVLU-UHFFFAOYSA-N 0 1 376.239 3.216 20 0 GGADMN Cc1nc(CC[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])cs1 ZINC000575995798 566305761 /nfs/dbraw/zinc/30/57/61/566305761.db2.gz XTDCYRCKWUFGBX-HNNXBMFYSA-N 0 1 381.295 3.268 20 0 GGADMN O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1c[nH]c2ccccc2c1=O ZINC000482420016 566305855 /nfs/dbraw/zinc/30/58/55/566305855.db2.gz ADHIREHGYKRHKZ-OAHLLOKOSA-N 0 1 377.227 3.298 20 0 GGADMN CCc1cnc(CNCCOc2ccc(I)cc2)s1 ZINC000509436532 566305986 /nfs/dbraw/zinc/30/59/86/566305986.db2.gz CYBQKNRATZPMAK-UHFFFAOYSA-N 0 1 388.274 3.479 20 0 GGADMN COc1cc(CNCc2cccc(S(C)(=O)=O)c2)c(SC)cc1OC ZINC000648734851 566305893 /nfs/dbraw/zinc/30/58/93/566305893.db2.gz ISBDPSBAARFCSZ-UHFFFAOYSA-N 0 1 381.519 3.119 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC([C@H]2CCOC2)CC1 ZINC000625316351 566306111 /nfs/dbraw/zinc/30/61/11/566306111.db2.gz AJEQZULWPNBBHL-MAUKXSAKSA-N 0 1 393.325 3.451 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2c(C)cc(C)c(Br)c2C)C1 ZINC000625325668 566306191 /nfs/dbraw/zinc/30/61/91/566306191.db2.gz LGVNABAVKSCSAD-OAHLLOKOSA-N 0 1 383.330 3.215 20 0 GGADMN COC(=O)c1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c(C)cc1Br ZINC000599940857 566306385 /nfs/dbraw/zinc/30/63/85/566306385.db2.gz RWCIWNVUCZQVQD-TXEJJXNPSA-N 0 1 383.286 3.355 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N(C[C@@H]1CCOC1)C1CC1 ZINC000576002994 566306519 /nfs/dbraw/zinc/30/65/19/566306519.db2.gz USBBZUYTGBSTHX-NSHDSACASA-N 0 1 393.285 3.036 20 0 GGADMN O=C([O-])[C@@H](Cc1ccccc1Br)[NH2+]Cc1nc2c(s1)CCC2 ZINC000669479651 566306843 /nfs/dbraw/zinc/30/68/43/566306843.db2.gz VZFCJWRAMSQBOO-CYBMUJFWSA-N 0 1 381.295 3.180 20 0 GGADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420713405 566307377 /nfs/dbraw/zinc/30/73/77/566307377.db2.gz XKPBQNSWGHDTJM-WCQYABFASA-N 0 1 394.871 3.189 20 0 GGADMN C[NH+](C)C1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1 ZINC000445733992 566308404 /nfs/dbraw/zinc/30/84/04/566308404.db2.gz PJZYCYCWYTUOBD-UHFFFAOYSA-N 0 1 399.713 3.004 20 0 GGADMN COCCO[C@H]1C[C@@H](CO)CN(CCCc2c(Cl)cccc2Cl)C1 ZINC000482459803 566308658 /nfs/dbraw/zinc/30/86/58/566308658.db2.gz CCJLZBZMRGSSMQ-CABCVRRESA-N 0 1 376.324 3.272 20 0 GGADMN COCCO[C@@H]1C[C@H](CO)CN(CCCc2c(Cl)cccc2Cl)C1 ZINC000482459820 566309116 /nfs/dbraw/zinc/30/91/16/566309116.db2.gz CCJLZBZMRGSSMQ-LSDHHAIUSA-N 0 1 376.324 3.272 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000625336926 566309679 /nfs/dbraw/zinc/30/96/79/566309679.db2.gz MKKNSXGECAVZCI-HOTGVXAUSA-N 0 1 395.341 3.046 20 0 GGADMN O=C(NCCc1c[nH]c2ccc(Br)cc12)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000669557410 566310385 /nfs/dbraw/zinc/31/03/85/566310385.db2.gz YBEVHSWPQPGZBZ-GASCZTMLSA-N 0 1 391.313 3.009 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccsc2Cl)C1 ZINC000445767740 566311775 /nfs/dbraw/zinc/31/17/75/566311775.db2.gz TTYAQAJHFQMFPW-TZMCWYRMSA-N 0 1 377.897 3.292 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000509525019 566313519 /nfs/dbraw/zinc/31/35/19/566313519.db2.gz NNMMSLNDMHSZPP-JTQLQIEISA-N 0 1 392.830 3.386 20 0 GGADMN COc1cc(Br)c(CNCCc2nn(C)c3ccccc23)cc1O ZINC000482526097 566314095 /nfs/dbraw/zinc/31/40/95/566314095.db2.gz GKFWXHFXBJAMBG-UHFFFAOYSA-N 0 1 390.281 3.382 20 0 GGADMN COC(=O)c1ccc(CNCCC(=O)Nc2ccccc2)c(Br)c1 ZINC000556582398 566314470 /nfs/dbraw/zinc/31/44/70/566314470.db2.gz MVLKEIJTBNWNIF-UHFFFAOYSA-N 0 1 391.265 3.354 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c(Cl)c1Cl ZINC000462505039 566314510 /nfs/dbraw/zinc/31/45/10/566314510.db2.gz PFBXWIIDUWWKNH-GFCCVEGCSA-N 0 1 395.352 3.401 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)cc1Br ZINC000462513021 566316064 /nfs/dbraw/zinc/31/60/64/566316064.db2.gz UYAFXYFMFAFCGF-AWEZNQCLSA-N 0 1 389.359 3.156 20 0 GGADMN CN(CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCOc2ccc(Br)cc21 ZINC000445877310 566316060 /nfs/dbraw/zinc/31/60/60/566316060.db2.gz BQUXVVYVBVTKTC-UXLLHSPISA-N 0 1 381.314 3.068 20 0 GGADMN COC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000600104941 566316482 /nfs/dbraw/zinc/31/64/82/566316482.db2.gz CSAISBMADUUFIJ-JTQLQIEISA-N 0 1 384.299 3.286 20 0 GGADMN COC(=O)c1ccc(CN(C)C2CCC(NC(C)=O)CC2)c(Br)c1 ZINC000556599036 566316783 /nfs/dbraw/zinc/31/67/83/566316783.db2.gz UQMONJDYNVLHPJ-UHFFFAOYSA-N 0 1 397.313 3.115 20 0 GGADMN CC(C)CC(=O)NCCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000535653820 566316834 /nfs/dbraw/zinc/31/68/34/566316834.db2.gz CKLLKLODHUWYJE-UHFFFAOYSA-N 0 1 377.666 3.299 20 0 GGADMN Fc1ccc(Br)c2nccc(N3CCN(C[C@H]4CCCO4)CC3)c12 ZINC000669647752 566316891 /nfs/dbraw/zinc/31/68/91/566316891.db2.gz WBMOOKKMMZABQK-CYBMUJFWSA-N 0 1 394.288 3.437 20 0 GGADMN CNC(=O)c1cccc(C(=O)Nc2cc(Br)cc(Cl)c2O)c1 ZINC000535655906 566317265 /nfs/dbraw/zinc/31/72/65/566317265.db2.gz RUVBOUDWMCPICD-UHFFFAOYSA-N 0 1 383.629 3.420 20 0 GGADMN NC(=O)NCc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc1 ZINC000535656864 566317515 /nfs/dbraw/zinc/31/75/15/566317515.db2.gz VMHJAKQDGZAVGZ-UHFFFAOYSA-N 0 1 398.644 3.229 20 0 GGADMN Fc1ccc(Br)c2nccc(N3CCN([C@@H]4CCOC4)CC3)c12 ZINC000669654848 566317694 /nfs/dbraw/zinc/31/76/94/566317694.db2.gz WZDNFYBUDITBGL-GFCCVEGCSA-N 0 1 380.261 3.047 20 0 GGADMN CCOc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1Cl ZINC000556611265 566318349 /nfs/dbraw/zinc/31/83/49/566318349.db2.gz YGXKSEIVEVPSON-ZDUSSCGKSA-N 0 1 382.913 3.498 20 0 GGADMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1c(Br)c(C)nn1C ZINC000556610677 566318360 /nfs/dbraw/zinc/31/83/60/566318360.db2.gz YIXGMWMCCYRMEB-DOMZBBRYSA-N 0 1 394.313 3.001 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2Br)[C@]12CCCO2 ZINC000556603997 566318463 /nfs/dbraw/zinc/31/84/63/566318463.db2.gz RTVLQOAZOULKED-JFIYKMOQSA-N 0 1 398.297 3.052 20 0 GGADMN Cc1cncc([C@H](C)NCC(=O)Nc2ccc(I)cc2)c1 ZINC000556611375 566318471 /nfs/dbraw/zinc/31/84/71/566318471.db2.gz NFSSWJAMPGZDBV-LBPRGKRZSA-N 0 1 395.244 3.284 20 0 GGADMN COC(=O)[C@@](C)(CNCc1ncc(Br)cc1F)c1ccccc1 ZINC000600151980 566319011 /nfs/dbraw/zinc/31/90/11/566319011.db2.gz QNOZXNABQFJWOG-KRWDZBQOSA-N 0 1 381.245 3.204 20 0 GGADMN CC1=CCN(CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000669661109 566319146 /nfs/dbraw/zinc/31/91/46/566319146.db2.gz ZKSDVUGIAUQJKC-INIZCTEOSA-N 0 1 394.313 3.224 20 0 GGADMN CCOc1cc(Br)ccc1NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000535673221 566319147 /nfs/dbraw/zinc/31/91/47/566319147.db2.gz PWBKWJXCJWELHT-SECBINFHSA-N 0 1 382.262 3.411 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CC[C@@H](c4nc[nH]n4)C3)c2o1 ZINC000576152858 566319936 /nfs/dbraw/zinc/31/99/36/566319936.db2.gz HNTOUDJISBXZRT-SECBINFHSA-N 0 1 391.229 3.038 20 0 GGADMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ncc(Br)cc1F ZINC000600157464 566320026 /nfs/dbraw/zinc/32/00/26/566320026.db2.gz WISKEZRJDVWKHX-DOMZBBRYSA-N 0 1 395.272 3.493 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)CCOC(C)C)c1ccc(Cl)cc1 ZINC000509621462 566320582 /nfs/dbraw/zinc/32/05/82/566320582.db2.gz LYICQJDNSISVPL-KRWDZBQOSA-N 0 1 376.950 3.067 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCc2cc(Br)ccc2F)n[nH]1 ZINC000535698408 566320702 /nfs/dbraw/zinc/32/07/02/566320702.db2.gz DXLRNTBUBZOHQC-SNVBAGLBSA-N 0 1 398.280 3.433 20 0 GGADMN COc1c(Br)ccc(F)c1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000648844675 566320918 /nfs/dbraw/zinc/32/09/18/566320918.db2.gz PIZGGQKJNNNZRF-QMMMGPOBSA-N 0 1 385.237 3.329 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000509624657 566321248 /nfs/dbraw/zinc/32/12/48/566321248.db2.gz VTURCRNSMVKCCH-QZTJIDSGSA-N 0 1 388.961 3.211 20 0 GGADMN CCCN(C)[C@H](CNS(=O)(=O)[C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000509611005 566321345 /nfs/dbraw/zinc/32/13/45/566321345.db2.gz ZKLOATAGPQHHRM-RHSMWYFYSA-N 0 1 376.950 3.067 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)Cc1cc(C)no1)c1ccc(Cl)cc1 ZINC000509618115 566321416 /nfs/dbraw/zinc/32/14/16/566321416.db2.gz CBJBAQQBNCWPBL-KRWDZBQOSA-N 0 1 385.917 3.139 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc3c2OCCO3)ccc1Br ZINC000509616006 566321517 /nfs/dbraw/zinc/32/15/17/566321517.db2.gz FJPWJPDRWMEQNQ-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN Cc1cc(C2CCN(C(=O)C[C@@H](C)n3cc(Br)cn3)CC2)n[nH]1 ZINC000648851297 566321772 /nfs/dbraw/zinc/32/17/72/566321772.db2.gz DQSFKUDLNLYTAC-GFCCVEGCSA-N 0 1 380.290 3.034 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)s1 ZINC000462553290 566322490 /nfs/dbraw/zinc/32/24/90/566322490.db2.gz PDWDVKABJAUZQM-GFCCVEGCSA-N 0 1 393.372 3.068 20 0 GGADMN COCCn1cc(CN[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000669705081 566322820 /nfs/dbraw/zinc/32/28/20/566322820.db2.gz LRAOECDSPZEBEN-ZWKOTPCHSA-N 0 1 394.313 3.302 20 0 GGADMN Cc1cccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)n1 ZINC000535758494 566323658 /nfs/dbraw/zinc/32/36/58/566323658.db2.gz SZDJIRDHUVGTIY-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN O=C1[C@@H](N[C@H](CO)c2ccc(Br)cc2)CCN1C1CCCCC1 ZINC000625443256 566323643 /nfs/dbraw/zinc/32/36/43/566323643.db2.gz DNRORSPDKJCQTG-DLBZAZTESA-N 0 1 381.314 3.006 20 0 GGADMN CS(=O)(=O)Nc1cccc(CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000648861403 566323871 /nfs/dbraw/zinc/32/38/71/566323871.db2.gz NJLNCCBPTXYSIP-QGZVFWFLSA-N 0 1 380.535 3.113 20 0 GGADMN C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)[C@H](C)CN1C ZINC000509652831 566324102 /nfs/dbraw/zinc/32/41/02/566324102.db2.gz PIJNNDARRPGHOA-GHMZBOCLSA-N 0 1 375.694 3.032 20 0 GGADMN O=C1[C@H](N[C@H](CO)c2ccc(Br)cc2)CCN1C1CCCCC1 ZINC000625443257 566324130 /nfs/dbraw/zinc/32/41/30/566324130.db2.gz DNRORSPDKJCQTG-IAGOWNOFSA-N 0 1 381.314 3.006 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1Br ZINC000509645082 566324231 /nfs/dbraw/zinc/32/42/31/566324231.db2.gz YQSULGIRDNMAOG-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446022713 566324255 /nfs/dbraw/zinc/32/42/55/566324255.db2.gz VRMHTHGRYMEARF-LBPRGKRZSA-N 0 1 385.221 3.390 20 0 GGADMN CCO[C@@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H]1C ZINC000625457939 566324965 /nfs/dbraw/zinc/32/49/65/566324965.db2.gz CWUOUBLQLPVRGY-JCURWCKSSA-N 0 1 381.314 3.449 20 0 GGADMN CCO[C@@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C ZINC000625457938 566325806 /nfs/dbraw/zinc/32/58/06/566325806.db2.gz CWUOUBLQLPVRGY-CSMYWGQOSA-N 0 1 381.314 3.449 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1[nH]nc2c1CCCC2 ZINC000669752638 566325958 /nfs/dbraw/zinc/32/59/58/566325958.db2.gz MTPDMHXBOJSLRN-CYBMUJFWSA-N 0 1 380.217 3.054 20 0 GGADMN COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000648881244 566325874 /nfs/dbraw/zinc/32/58/74/566325874.db2.gz RRZNRPZBMUNGEV-LBPRGKRZSA-N 0 1 385.277 3.344 20 0 GGADMN C[C@@H]1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)CN1C ZINC000509659450 566325953 /nfs/dbraw/zinc/32/59/53/566325953.db2.gz WHKZXUYBIZDUTI-MNOVXSKESA-N 0 1 378.826 3.107 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1OC(F)F ZINC000509658201 566326260 /nfs/dbraw/zinc/32/62/60/566326260.db2.gz MUFGHEIRRSGQFD-UHFFFAOYSA-N 0 1 379.287 3.410 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(CO)cc1)Cc1cccc(Br)c1 ZINC000576234001 566326750 /nfs/dbraw/zinc/32/67/50/566326750.db2.gz QMTDXGDZVZPNKM-UHFFFAOYSA-N 0 1 378.266 3.418 20 0 GGADMN CCN(CC)CCN(Cc1cccs1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000535782012 566326690 /nfs/dbraw/zinc/32/66/90/566326690.db2.gz OWNUYONNIHOBOT-UHFFFAOYSA-N 0 1 380.579 3.496 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000482678110 566327308 /nfs/dbraw/zinc/32/73/08/566327308.db2.gz KBENALSWKCTQNZ-ZDUSSCGKSA-N 0 1 383.945 3.346 20 0 GGADMN Cc1cc(N2CCC[C@H](N3CC[C@H](O)C(C)(C)C3)C2=O)ccc1Br ZINC000446083159 566327653 /nfs/dbraw/zinc/32/76/53/566327653.db2.gz RYLHABIZGPIAFN-IRXDYDNUSA-N 0 1 395.341 3.346 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000648896469 566327709 /nfs/dbraw/zinc/32/77/09/566327709.db2.gz GMHBKULIDLKPOV-LLVKDONJSA-N 0 1 380.290 3.034 20 0 GGADMN FC(F)(F)COCCn1nnnc1CSc1nc2ccc(Cl)cc2[nH]1 ZINC000446077135 566328145 /nfs/dbraw/zinc/32/81/45/566328145.db2.gz IPVSLMSDROOVDY-UHFFFAOYSA-N 0 1 392.794 3.074 20 0 GGADMN CC[C@@H](C)N1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625462301 566328169 /nfs/dbraw/zinc/32/81/69/566328169.db2.gz OSNBQSZIEMCHRW-CXAGYDPISA-N 0 1 380.330 3.119 20 0 GGADMN C[C@H](NCCC(=O)N1CCOc2ccccc21)c1ccc(Br)cn1 ZINC000556761893 566328618 /nfs/dbraw/zinc/32/86/18/566328618.db2.gz CVVRPKGLACRVSS-ZDUSSCGKSA-N 0 1 390.281 3.310 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CNC[C@@H](O)C(F)F ZINC000482747959 566329533 /nfs/dbraw/zinc/32/95/33/566329533.db2.gz BSFRZAMQXJAPDQ-CQSZACIVSA-N 0 1 388.256 3.474 20 0 GGADMN CN(Cc1cc(Br)cn1C)Cc1cccc(CN2CCOCC2)c1 ZINC000420928647 566329873 /nfs/dbraw/zinc/32/98/73/566329873.db2.gz BZKVMLNFAGMMIK-UHFFFAOYSA-N 0 1 392.341 3.252 20 0 GGADMN CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000576270246 566330218 /nfs/dbraw/zinc/33/02/18/566330218.db2.gz KPBUZLRFPGIXFB-LBPRGKRZSA-N 0 1 392.297 3.117 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000576270246 566330227 /nfs/dbraw/zinc/33/02/27/566330227.db2.gz KPBUZLRFPGIXFB-LBPRGKRZSA-N 0 1 392.297 3.117 20 0 GGADMN CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000535827138 566330697 /nfs/dbraw/zinc/33/06/97/566330697.db2.gz YZJSZIWHMZAMBZ-QGZVFWFLSA-N 0 1 382.526 3.456 20 0 GGADMN COc1c(Br)ccc(F)c1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000648916963 566330778 /nfs/dbraw/zinc/33/07/78/566330778.db2.gz RKFQXFJEEVXBKZ-LLVKDONJSA-N 0 1 385.277 3.153 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@H]1CC(=O)N(C)C1 ZINC000482758313 566331610 /nfs/dbraw/zinc/33/16/10/566331610.db2.gz ZFVPWEBHUTZHDN-HNNXBMFYSA-N 0 1 391.313 3.079 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@](C)(O)C(F)(F)F ZINC000482762681 566331887 /nfs/dbraw/zinc/33/18/87/566331887.db2.gz SLQDFIOEUBGPLU-AWEZNQCLSA-N 0 1 392.219 3.346 20 0 GGADMN Clc1cccc(-n2cc(CNCCCOC[C@@H]3CCCO3)nn2)c1Cl ZINC000535839314 566331930 /nfs/dbraw/zinc/33/19/30/566331930.db2.gz UPDKDMAGJYYVHC-AWEZNQCLSA-N 0 1 385.295 3.249 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000669851142 566332243 /nfs/dbraw/zinc/33/22/43/566332243.db2.gz VWDYNMSHGIIRKC-CABCVRRESA-N 0 1 380.535 3.181 20 0 GGADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000509726040 566332824 /nfs/dbraw/zinc/33/28/24/566332824.db2.gz DGIKHOROMIEWDU-CQSZACIVSA-N 0 1 397.287 3.374 20 0 GGADMN Cc1cc(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)sc1Cl ZINC000509736859 566333253 /nfs/dbraw/zinc/33/32/53/566333253.db2.gz UNNYSZDQYCABPK-GFCCVEGCSA-N 0 1 382.898 3.090 20 0 GGADMN Brc1c2ccccc2oc1CN1CCC(N2CCOCC2)CC1 ZINC000625544371 566333442 /nfs/dbraw/zinc/33/34/42/566333442.db2.gz PRPXSGHCPZHXMD-UHFFFAOYSA-N 0 1 379.298 3.492 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000535872555 566334280 /nfs/dbraw/zinc/33/42/80/566334280.db2.gz YBBAOCVJDITQNB-OAHLLOKOSA-N 0 1 381.314 3.445 20 0 GGADMN CC[C@H](C)n1ncc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1C ZINC000482798437 566334427 /nfs/dbraw/zinc/33/44/27/566334427.db2.gz GZWVILAJIUQGJW-JTQLQIEISA-N 0 1 384.889 3.440 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc(OC)c1OC ZINC000535891414 566335135 /nfs/dbraw/zinc/33/51/35/566335135.db2.gz HJHQIYRFEOAAIB-UHFFFAOYSA-N 0 1 375.805 3.306 20 0 GGADMN COC1([C@@H](C)NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOCC1 ZINC000421023137 566335240 /nfs/dbraw/zinc/33/52/40/566335240.db2.gz AWTXYPWHYIIUKG-GFCCVEGCSA-N 0 1 385.295 3.248 20 0 GGADMN Cc1cc(CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)n[nH]1 ZINC000669905985 566335482 /nfs/dbraw/zinc/33/54/82/566335482.db2.gz SWIBWWYOZNFIDW-UHFFFAOYSA-N 0 1 378.148 3.309 20 0 GGADMN COC1([C@@H](C)NCc2nc(-c3cccc(Br)c3)no2)CCOCC1 ZINC000421026558 566336611 /nfs/dbraw/zinc/33/66/11/566336611.db2.gz FNZGMYAZVOCKEC-GFCCVEGCSA-N 0 1 396.285 3.173 20 0 GGADMN C[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2n[nH]cc2c1 ZINC000556853665 566337295 /nfs/dbraw/zinc/33/72/95/566337295.db2.gz ANPMIVQYLOFPCU-NSHDSACASA-N 0 1 398.264 3.184 20 0 GGADMN CCCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCN(C)C1 ZINC000648994921 566337433 /nfs/dbraw/zinc/33/74/33/566337433.db2.gz ICWYGIHDINLFIH-INIZCTEOSA-N 0 1 391.313 3.191 20 0 GGADMN CCCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCN(C)C1 ZINC000648999723 566338101 /nfs/dbraw/zinc/33/81/01/566338101.db2.gz HDSOFLQILBJELU-INIZCTEOSA-N 0 1 391.313 3.191 20 0 GGADMN CCCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CC[N@H+](C)C1 ZINC000648996463 566338360 /nfs/dbraw/zinc/33/83/60/566338360.db2.gz 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ZINC000537029126 566418186 /nfs/dbraw/zinc/41/81/86/566418186.db2.gz HEKISOZABZHFRP-GFCCVEGCSA-N 0 1 388.265 3.316 20 0 GGADMN O=C(CN[C@@H](CCO)c1ccccc1)NCCc1cccc(Cl)c1Cl ZINC000537029502 566418238 /nfs/dbraw/zinc/41/82/38/566418238.db2.gz ZACOZVFUXUCCQV-KRWDZBQOSA-N 0 1 381.303 3.365 20 0 GGADMN COc1ccc(Br)cc1CNCc1ccc2c(c1)oc(=O)n2C ZINC000510907094 566418373 /nfs/dbraw/zinc/41/83/73/566418373.db2.gz SBELPYPCRYWHIX-UHFFFAOYSA-N 0 1 377.238 3.192 20 0 GGADMN CCC[C@H](NCC(=O)NC(=O)N[C@@H](C)COC)c1ccc(Cl)c(Cl)c1 ZINC000537052477 566418804 /nfs/dbraw/zinc/41/88/04/566418804.db2.gz HAPYXKCFCUDKKC-NHYWBVRUSA-N 0 1 390.311 3.285 20 0 GGADMN CCC[C@@H](NCC(=O)NC(=O)N[C@H](C)COC)c1ccc(Cl)c(Cl)c1 ZINC000537052476 566419017 /nfs/dbraw/zinc/41/90/17/566419017.db2.gz HAPYXKCFCUDKKC-IAQYHMDHSA-N 0 1 390.311 3.285 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(C)cc(Br)c2)CCN1CCOC ZINC000463577402 566419807 /nfs/dbraw/zinc/41/98/07/566419807.db2.gz LBHKMBYJCQUCEX-KRWDZBQOSA-N 0 1 383.330 3.330 20 0 GGADMN 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ZINC000538224227 566500378 /nfs/dbraw/zinc/50/03/78/566500378.db2.gz RBFJPASMONSAOJ-ZJUUUORDSA-N 0 1 386.308 3.393 20 0 GGADMN O=C(Cc1ccc(F)c(Br)c1)N1CCNC[C@H]1c1ccccc1 ZINC000423991844 566500579 /nfs/dbraw/zinc/50/05/79/566500579.db2.gz FNGFUJFNARLPLE-KRWDZBQOSA-N 0 1 377.257 3.304 20 0 GGADMN COCCOC[C@H]1CCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000464732506 566500979 /nfs/dbraw/zinc/50/09/79/566500979.db2.gz HKGZOYIPXGICKK-ZDUSSCGKSA-N 0 1 392.721 3.466 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cccc(I)c1 ZINC000538246581 566501299 /nfs/dbraw/zinc/50/12/99/566501299.db2.gz WJJHLMOBXSKAND-AWEZNQCLSA-N 0 1 387.265 3.095 20 0 GGADMN C[C@@H](NC(=O)N1CCN(CCO)C(C)(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000672681343 566501407 /nfs/dbraw/zinc/50/14/07/566501407.db2.gz KKUGJXNIVUIDJH-LLVKDONJSA-N 0 1 392.302 3.292 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000485471827 566501291 /nfs/dbraw/zinc/50/12/91/566501291.db2.gz YXUFUAAMODSEIA-AWEZNQCLSA-N 0 1 398.326 3.255 20 0 GGADMN Cc1cc([C@@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)sc1Br ZINC000511993044 566502488 /nfs/dbraw/zinc/50/24/88/566502488.db2.gz WQNDNVHVKMYMLO-VXGBXAGGSA-N 0 1 397.342 3.399 20 0 GGADMN O=C(CCOc1ccccc1Br)N1CCNC[C@H]1c1ccccc1 ZINC000424009647 566502428 /nfs/dbraw/zinc/50/24/28/566502428.db2.gz XKISMNKJWDUGIS-KRWDZBQOSA-N 0 1 389.293 3.391 20 0 GGADMN CC(C)O[C@H]1C[C@@H](NCc2ncc(I)s2)C1(C)C ZINC000511987588 566502726 /nfs/dbraw/zinc/50/27/26/566502726.db2.gz GPZJLORERIKQKU-ZJUUUORDSA-N 0 1 380.295 3.429 20 0 GGADMN Cc1nsc(N2CCCN(CCOc3ccc(Br)cc3)CC2)n1 ZINC000464760913 566503033 /nfs/dbraw/zinc/50/30/33/566503033.db2.gz BRDMGIZSJCMNOT-UHFFFAOYSA-N 0 1 397.342 3.200 20 0 GGADMN CO[C@@H](c1ccccc1F)[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000538284966 566503186 /nfs/dbraw/zinc/50/31/86/566503186.db2.gz NAUSOQXCKVTZGJ-BJOHPYRUSA-N 0 1 377.359 3.298 20 0 GGADMN CC(C)[C@H]1CN(CCN2c3cccc4cccc(c34)S2(=O)=O)CCS1 ZINC000464777940 566503521 /nfs/dbraw/zinc/50/35/21/566503521.db2.gz VUFROQOMKOXFHC-QGZVFWFLSA-N 0 1 376.547 3.422 20 0 GGADMN O=C(Cc1ccc(F)cc1Br)NCCN1CCc2ccccc2C1 ZINC000485491022 566503928 /nfs/dbraw/zinc/50/39/28/566503928.db2.gz NMVHMCXGFXLKTF-UHFFFAOYSA-N 0 1 391.284 3.305 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3cc(C)c(Br)s3)C2=O)n(C)n1 ZINC000512010019 566503981 /nfs/dbraw/zinc/50/39/81/566503981.db2.gz QVOROPYOILTMPQ-VXGBXAGGSA-N 0 1 397.342 3.317 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@@H](C)c3cc(C)c(Br)s3)C2=O)n(C)n1 ZINC000512010017 566504207 /nfs/dbraw/zinc/50/42/07/566504207.db2.gz QVOROPYOILTMPQ-NWDGAFQWSA-N 0 1 397.342 3.317 20 0 GGADMN C[C@@](CO)(NCc1ncc(I)s1)C1CCCCC1 ZINC000511996980 566504256 /nfs/dbraw/zinc/50/42/56/566504256.db2.gz NLXVHMSYGHZQRB-ZDUSSCGKSA-N 0 1 380.295 3.169 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@H]2CCCc3ccc(SC)cc32)c1 ZINC000578237370 566504630 /nfs/dbraw/zinc/50/46/30/566504630.db2.gz KKPAAUAHZGPYMG-IBGZPJMESA-N 0 1 376.547 3.484 20 0 GGADMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000485492988 566504981 /nfs/dbraw/zinc/50/49/81/566504981.db2.gz MBCIOOXBWRFEMR-KBPBESRZSA-N 0 1 393.325 3.473 20 0 GGADMN OCC[C@@H](NCc1ncc(I)s1)C1CCCCC1 ZINC000512016925 566505034 /nfs/dbraw/zinc/50/50/34/566505034.db2.gz TVWAJRUXRKPQRL-LLVKDONJSA-N 0 1 380.295 3.169 20 0 GGADMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000485492992 566505191 /nfs/dbraw/zinc/50/51/91/566505191.db2.gz MBCIOOXBWRFEMR-UONOGXRCSA-N 0 1 393.325 3.473 20 0 GGADMN Fc1cccc(CCNCc2ncc(I)s2)c1F ZINC000512012001 566505771 /nfs/dbraw/zinc/50/57/71/566505771.db2.gz XQLBASXHUOPAQZ-UHFFFAOYSA-N 0 1 380.201 3.358 20 0 GGADMN CSc1ccccc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000672777567 566505742 /nfs/dbraw/zinc/50/57/42/566505742.db2.gz AXTZQPHLYOFOEQ-KRWDZBQOSA-N 0 1 376.547 3.304 20 0 GGADMN CSc1ccccc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000672777568 566505798 /nfs/dbraw/zinc/50/57/98/566505798.db2.gz AXTZQPHLYOFOEQ-QGZVFWFLSA-N 0 1 376.547 3.304 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2ccc(Br)c(OC(C)C)c2)C1 ZINC000651273113 566506031 /nfs/dbraw/zinc/50/60/31/566506031.db2.gz AYCNACDRLUDCGG-HNNXBMFYSA-N 0 1 399.329 3.077 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000485506818 566506210 /nfs/dbraw/zinc/50/62/10/566506210.db2.gz QREASUDZHJEZDV-UHFFFAOYSA-N 0 1 379.210 3.322 20 0 GGADMN CCN(CC)S(=O)(=O)CCN[C@H](C)c1cc(C)c(Br)s1 ZINC000512027560 566506798 /nfs/dbraw/zinc/50/67/98/566506798.db2.gz XGRIXJFVDJXBMP-LLVKDONJSA-N 0 1 383.377 3.141 20 0 GGADMN O=S(=O)(CCOCC1CC1)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000424065467 566507895 /nfs/dbraw/zinc/50/78/95/566507895.db2.gz LUPLTRHPDMHJDG-UHFFFAOYSA-N 0 1 387.351 3.058 20 0 GGADMN CCC1(CC)[C@H](NCc2ncc(I)s2)C[C@H]1OC ZINC000512052281 566508430 /nfs/dbraw/zinc/50/84/30/566508430.db2.gz LVGVUQUSVTYKHJ-NXEZZACHSA-N 0 1 380.295 3.431 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(O)ccc2Br)C[C@@H](C)O1 ZINC000512050302 566508854 /nfs/dbraw/zinc/50/88/54/566508854.db2.gz CHCVWMGSBOHLQR-IIAWOOMASA-N 0 1 383.330 3.228 20 0 GGADMN COC(=O)CCSc1cc(Cl)ccc1NC(=O)NCc1cc(C)[nH]n1 ZINC000603067912 566509179 /nfs/dbraw/zinc/50/91/79/566509179.db2.gz IXJAJYUBBDJFRE-UHFFFAOYSA-N 0 1 382.873 3.348 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(I)ccc1C ZINC000578296428 566509230 /nfs/dbraw/zinc/50/92/30/566509230.db2.gz OYQDOAFTETVHPV-CYBMUJFWSA-N 0 1 387.265 3.158 20 0 GGADMN COC(=O)c1occc1CNC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000538378716 566509692 /nfs/dbraw/zinc/50/96/92/566509692.db2.gz YVFPCQTXFNLYNA-ZDUSSCGKSA-N 0 1 393.281 3.445 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2cnc3ncc(Br)cc3c2)c1 ZINC000672837215 566509867 /nfs/dbraw/zinc/50/98/67/566509867.db2.gz FXQMGINDXOPKGW-UHFFFAOYSA-N 0 1 386.253 3.101 20 0 GGADMN Cc1cnn(-c2ccncc2NCc2ncc(I)s2)c1 ZINC000512055617 566510548 /nfs/dbraw/zinc/51/05/48/566510548.db2.gz XXUDCLMGDFUXQZ-UHFFFAOYSA-N 0 1 397.245 3.249 20 0 GGADMN CCc1sc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC000558873561 566511404 /nfs/dbraw/zinc/51/14/04/566511404.db2.gz NWXTZMJXHAWSDZ-LBPRGKRZSA-N 0 1 389.359 3.160 20 0 GGADMN CC[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1cc(F)cc(Br)c1 ZINC000538399012 566511450 /nfs/dbraw/zinc/51/14/50/566511450.db2.gz YMRSHZUIQNYOIM-CQSZACIVSA-N 0 1 395.338 3.347 20 0 GGADMN OC[C@@H](CNCc1nccn1CC(F)(F)F)Cc1c(F)cccc1Cl ZINC000538411093 566511611 /nfs/dbraw/zinc/51/16/11/566511611.db2.gz QTYZWMRSVRFSCM-LLVKDONJSA-N 0 1 379.785 3.179 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2ccc(F)c(Cl)c2)c(C)s1 ZINC000538422688 566511892 /nfs/dbraw/zinc/51/18/92/566511892.db2.gz UNDBYBLSANKPLL-UHFFFAOYSA-N 0 1 376.906 3.226 20 0 GGADMN COc1ccc(CNCc2ccccc2Cn2cncn2)c(Br)c1 ZINC000512084460 566511951 /nfs/dbraw/zinc/51/19/51/566511951.db2.gz PMYMYTVRKFQBDA-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000512103784 566513603 /nfs/dbraw/zinc/51/36/03/566513603.db2.gz GXZNKQWDQRBPQD-LSDHHAIUSA-N 0 1 395.341 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)[C@@H](C)CN1C ZINC000512103781 566513717 /nfs/dbraw/zinc/51/37/17/566513717.db2.gz GXZNKQWDQRBPQD-CABCVRRESA-N 0 1 395.341 3.048 20 0 GGADMN CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000578348653 566513718 /nfs/dbraw/zinc/51/37/18/566513718.db2.gz SNHDSZNLJSLVCM-OAHLLOKOSA-N 0 1 376.869 3.356 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000464982893 566514132 /nfs/dbraw/zinc/51/41/32/566514132.db2.gz JMALTSWYEBGRDO-HNNXBMFYSA-N 0 1 393.256 3.492 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(I)cc2)c(C)o1 ZINC000538451089 566514725 /nfs/dbraw/zinc/51/47/25/566514725.db2.gz AZAALDSEIGHWEO-UHFFFAOYSA-N 0 1 377.203 3.302 20 0 GGADMN C[C@@H]1CN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)[C@@H](C)CN1C ZINC000512112643 566514995 /nfs/dbraw/zinc/51/49/95/566514995.db2.gz AGIAVHVLWAXWAS-KGLIPLIRSA-N 0 1 375.563 3.493 20 0 GGADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)c(Cl)c1 ZINC000578360104 566515614 /nfs/dbraw/zinc/51/56/14/566515614.db2.gz QIILEAMOTXLDDB-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN C[C@H](CNC(=O)c1cc2ccc(Br)cc2s1)N1CCN(C)CC1 ZINC000448981536 566516267 /nfs/dbraw/zinc/51/62/67/566516267.db2.gz UAEYXASITSLKOW-GFCCVEGCSA-N 0 1 396.354 3.030 20 0 GGADMN CC[C@@H](NC(=O)[C@H](C)CN1CCOCC1)c1cc(F)cc(Br)c1 ZINC000485670505 566517023 /nfs/dbraw/zinc/51/70/23/566517023.db2.gz MJFOLSLELPFBDL-MLGOLLRUSA-N 0 1 387.293 3.124 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3C[C@@H](C)N(C)C[C@@H]3C)c2c1C ZINC000512146949 566517252 /nfs/dbraw/zinc/51/72/52/566517252.db2.gz RKBXXYJJQYMPHQ-NEPJUHHUSA-N 0 1 378.567 3.341 20 0 GGADMN Cc1cc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC000512144456 566517302 /nfs/dbraw/zinc/51/73/02/566517302.db2.gz BDYAZKFGDFSLFG-STQMWFEESA-N 0 1 376.298 3.470 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3C[C@H](C)N(C)C[C@H]3C)c2c1C ZINC000512146952 566517467 /nfs/dbraw/zinc/51/74/67/566517467.db2.gz RKBXXYJJQYMPHQ-NWDGAFQWSA-N 0 1 378.567 3.341 20 0 GGADMN COc1ccc(NC(=O)CCN2CCC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000485686315 566518435 /nfs/dbraw/zinc/51/84/35/566518435.db2.gz JNAOLKFQIYVOAY-OAHLLOKOSA-N 0 1 380.794 3.066 20 0 GGADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000558972382 566518796 /nfs/dbraw/zinc/51/87/96/566518796.db2.gz QAXUMLHXTVNFRN-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN COCc1noc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000538531028 566519024 /nfs/dbraw/zinc/51/90/24/566519024.db2.gz HJSQKVKYLJKPEU-UHFFFAOYSA-N 0 1 382.243 3.056 20 0 GGADMN Brc1ccc([C@@H](NCc2n[nH]c(C3CC3)n2)[C@@H]2CCCO2)cc1 ZINC000651390368 566519925 /nfs/dbraw/zinc/51/99/25/566519925.db2.gz YGXXSDRLMUMHQH-GOEBONIOSA-N 0 1 377.286 3.455 20 0 GGADMN O=C(NCc1cc(Br)cc2c1OCC2)c1n[nH]nc1-c1ccccc1 ZINC000559024017 566520876 /nfs/dbraw/zinc/52/08/76/566520876.db2.gz XLSQXNXMUDVVLJ-UHFFFAOYSA-N 0 1 399.248 3.099 20 0 GGADMN Cc1ccc(C2(C(=O)NCc3c[nH]nn3)CCCCC2)c(Br)c1 ZINC000651430667 566521260 /nfs/dbraw/zinc/52/12/60/566521260.db2.gz UROBUWZGUGCZSO-UHFFFAOYSA-N 0 1 377.286 3.394 20 0 GGADMN NC(=O)CCC1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449029016 566521655 /nfs/dbraw/zinc/52/16/55/566521655.db2.gz NGIUJTAEWDLNSC-UHFFFAOYSA-N 0 1 376.298 3.475 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)N(CCN(C)C)Cc1cccs1 ZINC000485712980 566521875 /nfs/dbraw/zinc/52/18/75/566521875.db2.gz UVWLMYAFPNJLJY-UHFFFAOYSA-N 0 1 388.942 3.163 20 0 GGADMN CCc1oc(CN2CCC(n3cc(Br)cn3)CC2)cc1C(=O)OC ZINC000559068739 566522490 /nfs/dbraw/zinc/52/24/90/566522490.db2.gz MARHJWRNUVSAMP-UHFFFAOYSA-N 0 1 396.285 3.425 20 0 GGADMN CCC[C@H](NC(=O)c1ccc(Br)c(OC(C)C)c1)c1nn[nH]n1 ZINC000651461694 566522810 /nfs/dbraw/zinc/52/28/10/566522810.db2.gz GGTZJWSVTPGYDW-LBPRGKRZSA-N 0 1 382.262 3.021 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000424263689 566523245 /nfs/dbraw/zinc/52/32/45/566523245.db2.gz SDWOMBKMAYGHLA-ZDUSSCGKSA-N 0 1 383.286 3.497 20 0 GGADMN CN(Cc1cccc(F)c1Br)C1CCN(c2cccnn2)CC1 ZINC000449035289 566523189 /nfs/dbraw/zinc/52/31/89/566523189.db2.gz NRDADZXPTIDIQA-UHFFFAOYSA-N 0 1 379.277 3.479 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000449036608 566523411 /nfs/dbraw/zinc/52/34/11/566523411.db2.gz UVSZGGRMJHAJKK-BFHYXJOUSA-N 0 1 381.314 3.194 20 0 GGADMN C[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CCC1=O ZINC000512277113 566523571 /nfs/dbraw/zinc/52/35/71/566523571.db2.gz FMZBTVOWMFPFIZ-MWLCHTKSSA-N 0 1 377.242 3.178 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000424261523 566523795 /nfs/dbraw/zinc/52/37/95/566523795.db2.gz PIDMVFYSFLFKLT-AWEZNQCLSA-N 0 1 387.307 3.371 20 0 GGADMN CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000485759668 566524328 /nfs/dbraw/zinc/52/43/28/566524328.db2.gz DHVJCQWEVFAZJS-SMDDNHRTSA-N 0 1 384.454 3.052 20 0 GGADMN CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000485759662 566524667 /nfs/dbraw/zinc/52/46/67/566524667.db2.gz DHVJCQWEVFAZJS-BXUZGUMPSA-N 0 1 384.454 3.052 20 0 GGADMN COc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1 ZINC000424271757 566524943 /nfs/dbraw/zinc/52/49/43/566524943.db2.gz SJBRCWKGXMQLJF-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN Fc1cc(Br)cc(CNCc2ccc(N3CCOCC3)nc2)c1 ZINC000449070587 566525172 /nfs/dbraw/zinc/52/51/72/566525172.db2.gz DIBPTNNJBLMCBB-UHFFFAOYSA-N 0 1 380.261 3.110 20 0 GGADMN CCN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)CC(C)(C)O ZINC000512328874 566526173 /nfs/dbraw/zinc/52/61/73/566526173.db2.gz MYBQFLRTHSNFJT-UHFFFAOYSA-N 0 1 397.235 3.499 20 0 GGADMN C[C@H]1CN(c2ccc(CNCc3cc(F)cc(Br)c3)cn2)CCO1 ZINC000449082285 566526999 /nfs/dbraw/zinc/52/69/99/566526999.db2.gz MDMBXWWHQHBRFB-ZDUSSCGKSA-N 0 1 394.288 3.498 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000449084421 566527352 /nfs/dbraw/zinc/52/73/52/566527352.db2.gz XUFIIDJTXDUKAM-CRAIPNDOSA-N 0 1 385.291 3.454 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000512360190 566527393 /nfs/dbraw/zinc/52/73/93/566527393.db2.gz UCYOQNBDGWKHME-LBPRGKRZSA-N 0 1 399.969 3.410 20 0 GGADMN CC[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(Br)c1 ZINC000485806547 566527682 /nfs/dbraw/zinc/52/76/82/566527682.db2.gz OWWMDNCFWULSRC-OZVIIMIRSA-N 0 1 387.293 3.265 20 0 GGADMN O=C(N[C@H](CO)CN1CCCCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000512355459 566527889 /nfs/dbraw/zinc/52/78/89/566527889.db2.gz XDSXVHXOGKKOIA-NSHDSACASA-N 0 1 385.942 3.102 20 0 GGADMN O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[C@H](c2nc[nH]n2)C1 ZINC000578500271 566528570 /nfs/dbraw/zinc/52/85/70/566528570.db2.gz SLKVVHTZWAZQJC-QMMMGPOBSA-N 0 1 389.175 3.216 20 0 GGADMN C[C@@H](NC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C)c1nnc[nH]1 ZINC000559133594 566528583 /nfs/dbraw/zinc/52/85/83/566528583.db2.gz UQDDDQCXAYIRMD-NOZJJQNGSA-N 0 1 378.274 3.251 20 0 GGADMN NC1(c2noc(COc3ccc(I)cc3)n2)CCCCC1 ZINC000424342655 566528920 /nfs/dbraw/zinc/52/89/20/566528920.db2.gz YRVQIDMGQFEGIL-UHFFFAOYSA-N 0 1 399.232 3.371 20 0 GGADMN Cc1cc(Br)cc2cc(C(=O)N[C@H](CO)CN3CCCCC3)oc21 ZINC000512375791 566528969 /nfs/dbraw/zinc/52/89/69/566528969.db2.gz XZUVZSGCLOKWTC-HNNXBMFYSA-N 0 1 395.297 3.080 20 0 GGADMN Cc1cc(CNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n[nH]1 ZINC000603484804 566529419 /nfs/dbraw/zinc/52/94/19/566529419.db2.gz 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ZINC000485839246 566530853 /nfs/dbraw/zinc/53/08/53/566530853.db2.gz AWWUVPHCHDDEAB-CQSZACIVSA-N 0 1 383.265 3.310 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)NC(=O)NC(C)C)c1cc(F)cc(Br)c1 ZINC000485829796 566531021 /nfs/dbraw/zinc/53/10/21/566531021.db2.gz LGCUBKVUSWTOEQ-HZMBPMFUSA-N 0 1 388.281 3.252 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000603504860 566531139 /nfs/dbraw/zinc/53/11/39/566531139.db2.gz WZINHAPYUOKOBU-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Cc1cc(Cl)ccc1S(=O)(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000603504860 566531149 /nfs/dbraw/zinc/53/11/49/566531149.db2.gz WZINHAPYUOKOBU-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)Nc1ncccn1)c1cc(F)cc(Br)c1 ZINC000485833351 566531306 /nfs/dbraw/zinc/53/13/06/566531306.db2.gz UIEBDZLRPLLROL-QMTHXVAHSA-N 0 1 381.249 3.446 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1cccc(Br)c1 ZINC000559155549 566531541 /nfs/dbraw/zinc/53/15/41/566531541.db2.gz ZNJVRPMDJUKOSF-UHFFFAOYSA-N 0 1 379.182 3.246 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628126108 566531630 /nfs/dbraw/zinc/53/16/30/566531630.db2.gz BSGCATGUBFMPDT-CQSZACIVSA-N 0 1 385.335 3.495 20 0 GGADMN CC(C)(C(=O)N1CCC(N2CCOCC2)CC1)c1ccccc1Br ZINC000628122660 566531810 /nfs/dbraw/zinc/53/18/10/566531810.db2.gz HNPFVPZZTSNWDG-UHFFFAOYSA-N 0 1 395.341 3.050 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC[C@@H](O)C(C)C ZINC000449142110 566531908 /nfs/dbraw/zinc/53/19/08/566531908.db2.gz NJJYIWBCJJTUPB-OAHLLOKOSA-N 0 1 386.279 3.072 20 0 GGADMN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(N2CCOCC2)CC1 ZINC000628127321 566532219 /nfs/dbraw/zinc/53/22/19/566532219.db2.gz DUGLLSILSHHXBO-UHFFFAOYSA-N 0 1 382.291 3.412 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628127758 566532387 /nfs/dbraw/zinc/53/23/87/566532387.db2.gz YPDQDFRIHMRZEP-ZDUSSCGKSA-N 0 1 387.307 3.084 20 0 GGADMN O=S1(=O)CC[C@@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000603509732 566532702 /nfs/dbraw/zinc/53/27/02/566532702.db2.gz MINHQZGCOHQJPN-NSHDSACASA-N 0 1 390.452 3.353 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cccs1 ZINC000628126836 566532973 /nfs/dbraw/zinc/53/29/73/566532973.db2.gz JNXPPTNQZONFAY-UHFFFAOYSA-N 0 1 375.519 3.172 20 0 GGADMN OCCN(Cc1ccc(Br)s1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000559186099 566533137 /nfs/dbraw/zinc/53/31/37/566533137.db2.gz LSLARQIIUYXORR-AWEZNQCLSA-N 0 1 388.302 3.048 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCCC(F)(F)F ZINC000449176212 566533242 /nfs/dbraw/zinc/53/32/42/566533242.db2.gz PWBYDSFVRFCVSY-SECBINFHSA-N 0 1 383.208 3.004 20 0 GGADMN CC[C@@H](O)CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449197994 566535692 /nfs/dbraw/zinc/53/56/92/566535692.db2.gz YZXZFNIUFQJNTK-CYBMUJFWSA-N 0 1 386.279 3.216 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000465560926 566535771 /nfs/dbraw/zinc/53/57/71/566535771.db2.gz BFUNVNBMCRURRY-UHFFFAOYSA-N 0 1 375.420 3.361 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1Br ZINC000673442574 566535964 /nfs/dbraw/zinc/53/59/64/566535964.db2.gz WJGWRAGPCNZERM-AWEZNQCLSA-N 0 1 399.304 3.224 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1Br ZINC000673442575 566536097 /nfs/dbraw/zinc/53/60/97/566536097.db2.gz WJGWRAGPCNZERM-CQSZACIVSA-N 0 1 399.304 3.224 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000673449330 566536142 /nfs/dbraw/zinc/53/61/42/566536142.db2.gz JQQZZXPKXTVDJT-OAHLLOKOSA-N 0 1 378.274 3.039 20 0 GGADMN CCn1c(CCNC(=O)c2cccc(Br)c2O)nc2ccccc21 ZINC000538789729 566536852 /nfs/dbraw/zinc/53/68/52/566536852.db2.gz NSAPPACWLUNEGV-UHFFFAOYSA-N 0 1 388.265 3.497 20 0 GGADMN CCn1cc(CN(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cn1 ZINC000603699618 566537430 /nfs/dbraw/zinc/53/74/30/566537430.db2.gz FMAPCZWGVWMJFV-UHFFFAOYSA-N 0 1 388.269 3.328 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@]1(C)CCOC1 ZINC000449216463 566537772 /nfs/dbraw/zinc/53/77/72/566537772.db2.gz SMXFMCKJQRTPMK-KRWDZBQOSA-N 0 1 384.263 3.234 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000559296149 566538090 /nfs/dbraw/zinc/53/80/90/566538090.db2.gz GWLMGNRSIQTQTP-UHFFFAOYSA-N 0 1 382.169 3.370 20 0 GGADMN Cc1[nH]nc2ncc(CNCC(=O)Nc3ccc(Br)cc3C)cc12 ZINC000559273032 566538164 /nfs/dbraw/zinc/53/81/64/566538164.db2.gz WJWDTVICXLADRX-UHFFFAOYSA-N 0 1 388.269 3.066 20 0 GGADMN COC1CCN(C(C)(C)CNC(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000485916397 566538201 /nfs/dbraw/zinc/53/82/01/566538201.db2.gz ZQZYYPYVXFBXML-UHFFFAOYSA-N 0 1 379.551 3.491 20 0 GGADMN O=C(NCc1nc2cc(Br)ccc2o1)c1[nH]nc2c1CCCC2 ZINC000673538931 566539970 /nfs/dbraw/zinc/53/99/70/566539970.db2.gz DTTZZPZLSDXRBE-UHFFFAOYSA-N 0 1 375.226 3.122 20 0 GGADMN O=C(Nc1ncc(CCO)s1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000673541205 566540100 /nfs/dbraw/zinc/54/01/00/566540100.db2.gz OZJOLFTZHKBFGY-UHFFFAOYSA-N 0 1 393.266 3.083 20 0 GGADMN CCCOC[C@H](Cc1cccc(Br)c1)NCc1ccnc(OC)n1 ZINC000449248283 566541229 /nfs/dbraw/zinc/54/12/29/566541229.db2.gz JCAGEGVYSAGVGG-KRWDZBQOSA-N 0 1 394.313 3.375 20 0 GGADMN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cccc(F)c2Br)C1 ZINC000449261214 566542044 /nfs/dbraw/zinc/54/20/44/566542044.db2.gz ZBYQKUBNKUJNHP-SNVBAGLBSA-N 0 1 383.183 3.089 20 0 GGADMN O=C([O-])c1cncnc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000578656520 566542306 /nfs/dbraw/zinc/54/23/06/566542306.db2.gz ZOYFIKJSJIUBAY-UHFFFAOYSA-N 0 1 391.269 3.014 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2cccc([S@@](C)=O)c2)CC1 ZINC000538874276 566543379 /nfs/dbraw/zinc/54/33/79/566543379.db2.gz AQFMWFKTJXXMPX-RUZDIDTESA-N 0 1 377.941 3.441 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000651620805 566543482 /nfs/dbraw/zinc/54/34/82/566543482.db2.gz UAZSFTREDOGSSF-QMMMGPOBSA-N 0 1 393.332 3.100 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2cccc([S@](C)=O)c2)CC1 ZINC000538874277 566543539 /nfs/dbraw/zinc/54/35/39/566543539.db2.gz AQFMWFKTJXXMPX-VWLOTQADSA-N 0 1 377.941 3.441 20 0 GGADMN Cc1ncc(CNCc2cc(Br)cc(Br)c2)c(=O)[nH]1 ZINC000578671576 566543757 /nfs/dbraw/zinc/54/37/57/566543757.db2.gz JTENBGGXVZPXDW-UHFFFAOYSA-N 0 1 387.075 3.305 20 0 GGADMN COC(=O)C1(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000603896027 566544018 /nfs/dbraw/zinc/54/40/18/566544018.db2.gz ROSSBCBLXFZTSH-UHFFFAOYSA-N 0 1 381.885 3.301 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c(Cl)c1 ZINC000578692186 566545373 /nfs/dbraw/zinc/54/53/73/566545373.db2.gz KTRDKTJQOGKQOL-UHFFFAOYSA-N 0 1 380.853 3.276 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)NCc1nc2cc(Br)ccc2o1 ZINC000578698948 566545472 /nfs/dbraw/zinc/54/54/72/566545472.db2.gz QLNHCNYBPZGMPA-UHFFFAOYSA-N 0 1 385.221 3.326 20 0 GGADMN Cc1sc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1Br ZINC000424607867 566545559 /nfs/dbraw/zinc/54/55/59/566545559.db2.gz RWUSYBPTJWLWAR-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3C[C@@H](C)N(C)[C@@H](C)C3)C2=O)ccc1Br ZINC000559378036 566545963 /nfs/dbraw/zinc/54/59/63/566545963.db2.gz JTOUUXIHDYCKNN-RVKKMQEKSA-N 0 1 394.357 3.277 20 0 GGADMN O=S(=O)(CCCNCc1ccc(-c2cc[nH]n2)o1)c1ccc(Cl)cc1 ZINC000559358374 566546186 /nfs/dbraw/zinc/54/61/86/566546186.db2.gz GOJGTUWDFAPEQF-UHFFFAOYSA-N 0 1 379.869 3.277 20 0 GGADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCC1CC1 ZINC000538898556 566546466 /nfs/dbraw/zinc/54/64/66/566546466.db2.gz RELIXDSYMSKKEM-UHFFFAOYSA-N 0 1 378.460 3.199 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNCCC[C@@H](C)O ZINC000449291261 566546618 /nfs/dbraw/zinc/54/66/18/566546618.db2.gz KCSWVQXRBCYUGF-LLVKDONJSA-N 0 1 386.279 3.216 20 0 GGADMN Cn1cnc(CNCCOc2ccc(Br)cc2C(F)(F)F)c1 ZINC000673605765 566546911 /nfs/dbraw/zinc/54/69/11/566546911.db2.gz FVTDUIMQEUHVEU-UHFFFAOYSA-N 0 1 378.192 3.370 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCc1cc(Cl)sc1Cl ZINC000538910014 566547823 /nfs/dbraw/zinc/54/78/23/566547823.db2.gz JZIXMUVSNSEXDN-QMMMGPOBSA-N 0 1 397.287 3.366 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1cc(Cl)sc1Cl)N1CCN(C)CC1 ZINC000538914279 566547858 /nfs/dbraw/zinc/54/78/58/566547858.db2.gz ZENXXBBYEQYVKE-ZDUSSCGKSA-N 0 1 393.384 3.126 20 0 GGADMN CN1CCN(c2cccc(C(=O)NCc3cc(Cl)sc3Cl)n2)CC1 ZINC000538924168 566547887 /nfs/dbraw/zinc/54/78/87/566547887.db2.gz ANDCTLSGGSBMSV-UHFFFAOYSA-N 0 1 385.320 3.132 20 0 GGADMN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccnc2c(Br)cccc12 ZINC000449317722 566547927 /nfs/dbraw/zinc/54/79/27/566547927.db2.gz BMXLEBKDFUHHGS-GDBMZVCRSA-N 0 1 390.325 3.292 20 0 GGADMN CCC[C@H](C)S(=O)(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000651646981 566548038 /nfs/dbraw/zinc/54/80/38/566548038.db2.gz YTUMPIYHPLZISH-GXFFZTMASA-N 0 1 376.404 3.021 20 0 GGADMN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000603978928 566548198 /nfs/dbraw/zinc/54/81/98/566548198.db2.gz QTQJUVDHXYESKK-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000673627598 566548112 /nfs/dbraw/zinc/54/81/12/566548112.db2.gz PKVSLXJVTXDBOE-WQGACYEGSA-N 0 1 377.286 3.027 20 0 GGADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000673627597 566548489 /nfs/dbraw/zinc/54/84/89/566548489.db2.gz PKVSLXJVTXDBOE-MQIPJXDCSA-N 0 1 377.286 3.027 20 0 GGADMN O=C(CNCc1cc(F)cc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000449308316 566549152 /nfs/dbraw/zinc/54/91/52/566549152.db2.gz WGIFFHAQBDFLQN-MRXNPFEDSA-N 0 1 393.256 3.318 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2CSc3ccccc32)sc1Br ZINC000538940168 566549498 /nfs/dbraw/zinc/54/94/98/566549498.db2.gz HEJPFSHLBZCHNZ-SECBINFHSA-N 0 1 391.337 3.339 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CSc3ccccc32)sc1Br ZINC000538940176 566549579 /nfs/dbraw/zinc/54/95/79/566549579.db2.gz HEJPFSHLBZCHNZ-VIFPVBQESA-N 0 1 391.337 3.339 20 0 GGADMN O=S(=O)(Nc1cc(Br)ccc1O)c1ccc2c(c1)CCCO2 ZINC000538937984 566549920 /nfs/dbraw/zinc/54/99/20/566549920.db2.gz NDXMJRUXOUJTBA-UHFFFAOYSA-N 0 1 384.251 3.281 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN1Cc1ccccc1)c1cc(F)ccc1Cl ZINC000604058789 566552611 /nfs/dbraw/zinc/55/26/11/566552611.db2.gz RIXIYAJLKHPZCU-MRXNPFEDSA-N 0 1 382.888 3.422 20 0 GGADMN CSc1ccc(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000604058724 566552855 /nfs/dbraw/zinc/55/28/55/566552855.db2.gz NEBBUHMLUIZYQL-QGZVFWFLSA-N 0 1 376.547 3.351 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)Cc2cccc(F)c2)cc1OC ZINC000449363371 566552860 /nfs/dbraw/zinc/55/28/60/566552860.db2.gz NPUDOJWQRFDVSC-OAHLLOKOSA-N 0 1 398.272 3.299 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](O)Cc2cccc(F)c2)cc1OC ZINC000449363370 566552879 /nfs/dbraw/zinc/55/28/79/566552879.db2.gz NPUDOJWQRFDVSC-HNNXBMFYSA-N 0 1 398.272 3.299 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000651705592 566553041 /nfs/dbraw/zinc/55/30/41/566553041.db2.gz YFECEEBWFBLQAW-NEPJUHHUSA-N 0 1 393.372 3.066 20 0 GGADMN O[C@H](CNCc1cc2c(cc1Br)OCO2)Cc1cccc(F)c1 ZINC000449363342 566552972 /nfs/dbraw/zinc/55/29/72/566552972.db2.gz NJJAYFUUDKPNOA-AWEZNQCLSA-N 0 1 382.229 3.010 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000651701754 566553297 /nfs/dbraw/zinc/55/32/97/566553297.db2.gz ADFXVFILYWKMJX-NWDGAFQWSA-N 0 1 393.372 3.066 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(Br)c(C)s3)CC2)c1 ZINC000424652929 566553468 /nfs/dbraw/zinc/55/34/68/566553468.db2.gz XDZBQHZKNWHXQF-UHFFFAOYSA-N 0 1 396.310 3.185 20 0 GGADMN COc1ncc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)c(C)n1 ZINC000578779005 566553511 /nfs/dbraw/zinc/55/35/11/566553511.db2.gz BFKQPJYQTZJDDW-UHFFFAOYSA-N 0 1 394.269 3.033 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000673740035 566553675 /nfs/dbraw/zinc/55/36/75/566553675.db2.gz BUFGGKNGIJIJCU-INIZCTEOSA-N 0 1 399.329 3.077 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)cc1F ZINC000512730483 566553885 /nfs/dbraw/zinc/55/38/85/566553885.db2.gz SBSKMQPWLVMIEH-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000673736413 566554006 /nfs/dbraw/zinc/55/40/06/566554006.db2.gz MUGDFLBYRVWKCP-UHFFFAOYSA-N 0 1 382.173 3.281 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000673733934 566554128 /nfs/dbraw/zinc/55/41/28/566554128.db2.gz GUPKFCBDQHAPRG-UHFFFAOYSA-N 0 1 375.734 3.092 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000673731708 566554260 /nfs/dbraw/zinc/55/42/60/566554260.db2.gz LGXHNOSPHDDBQH-UHFFFAOYSA-N 0 1 395.168 3.412 20 0 GGADMN COc1ccc2nc(CNCCn3cc(Br)ccc3=O)sc2c1 ZINC000449374556 566554570 /nfs/dbraw/zinc/55/45/70/566554570.db2.gz FONNBEOTDXXLHP-UHFFFAOYSA-N 0 1 394.294 3.019 20 0 GGADMN COc1ccc([C@@H](NCC2(S(C)(=O)=O)CC2)C(C)C)c(Br)c1 ZINC000578806217 566555232 /nfs/dbraw/zinc/55/52/32/566555232.db2.gz VPJBTCOSYRTAQN-HNNXBMFYSA-N 0 1 390.343 3.322 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc3c2oc(=O)n3C)cc1Br ZINC000512771855 566555298 /nfs/dbraw/zinc/55/52/98/566555298.db2.gz QCZQEWFWSFYXAA-UHFFFAOYSA-N 0 1 397.250 3.003 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc3c2oc(=O)n3C)ccc1Br ZINC000512771987 566555402 /nfs/dbraw/zinc/55/54/02/566555402.db2.gz SIARDSNSWXPPHB-UHFFFAOYSA-N 0 1 397.250 3.003 20 0 GGADMN C[C@H](Cc1cnn(C)c1)NCc1c(Br)cncc1Br ZINC000449391104 566555668 /nfs/dbraw/zinc/55/56/68/566555668.db2.gz COXAFABIHNYKHQ-SECBINFHSA-N 0 1 388.107 3.061 20 0 GGADMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000539054498 566556442 /nfs/dbraw/zinc/55/64/42/566556442.db2.gz WMBPAAGBHUHYGD-LRDDRELGSA-N 0 1 379.444 3.367 20 0 GGADMN O=c1ccc(Br)cn1CCNCc1c(F)cccc1N1CCCC1 ZINC000449379657 566556639 /nfs/dbraw/zinc/55/66/39/566556639.db2.gz UMKFNVNQCATAMN-UHFFFAOYSA-N 0 1 394.288 3.140 20 0 GGADMN O=c1ccc(Br)cn1CCNCc1cscc1Br ZINC000449381081 566556721 /nfs/dbraw/zinc/55/67/21/566556721.db2.gz XOHSQTRDRFGWFT-UHFFFAOYSA-N 0 1 392.116 3.225 20 0 GGADMN CSCC[C@@H](CO)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000539059675 566556769 /nfs/dbraw/zinc/55/67/69/566556769.db2.gz DFHWVMPQUWEFNC-FZMZJTMJSA-N 0 1 399.358 3.103 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000486093522 566557685 /nfs/dbraw/zinc/55/76/85/566557685.db2.gz LAXLTRFUOPLGID-UHFFFAOYSA-N 0 1 386.876 3.028 20 0 GGADMN CC(C)(C[C@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1)C(N)=O ZINC000449408839 566558695 /nfs/dbraw/zinc/55/86/95/566558695.db2.gz LUKGEUNWFWOTOX-GFCCVEGCSA-N 0 1 397.313 3.291 20 0 GGADMN O=C(NCCN1CC=CCC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000512808731 566559013 /nfs/dbraw/zinc/55/90/13/566559013.db2.gz FNVUSZUTKIGGFL-UHFFFAOYSA-N 0 1 393.203 3.339 20 0 GGADMN Cc1cc(Br)cc(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000486108127 566559651 /nfs/dbraw/zinc/55/96/51/566559651.db2.gz JJJXKSODMMQORW-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)N2CCC(C)CC2)c2cccs2)CC1 ZINC000486124238 566560322 /nfs/dbraw/zinc/56/03/22/566560322.db2.gz ISDKTEMCNQDLBX-QGZVFWFLSA-N 0 1 385.599 3.087 20 0 GGADMN CCc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1CC ZINC000486129458 566560767 /nfs/dbraw/zinc/56/07/67/566560767.db2.gz YARRBOHKIPCGPP-UHFFFAOYSA-N 0 1 385.482 3.155 20 0 GGADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cccc(F)c2Br)C1 ZINC000449414617 566561134 /nfs/dbraw/zinc/56/11/34/566561134.db2.gz XAJLQCFTRZEQPG-GXTWGEPZSA-N 0 1 377.257 3.369 20 0 GGADMN COCCCn1c(SCCc2c[nH]nn2)nnc1-c1ccccc1Cl ZINC000559630879 566562133 /nfs/dbraw/zinc/56/21/33/566562133.db2.gz SOUCTTPLWXOFSH-UHFFFAOYSA-N 0 1 378.889 3.088 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000539140185 566563163 /nfs/dbraw/zinc/56/31/63/566563163.db2.gz JVWVXXJRSHVQSX-MGPLVRAMSA-N 0 1 378.270 3.167 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2cccc(I)c2)CCN1C ZINC000486155565 566563156 /nfs/dbraw/zinc/56/31/56/566563156.db2.gz IRKJHIKRGGNTKB-AWEZNQCLSA-N 0 1 387.265 3.095 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Nc2ccccc2I)CCN1C ZINC000486155667 566563718 /nfs/dbraw/zinc/56/37/18/566563718.db2.gz JLSFRHKFIAUGCM-AWEZNQCLSA-N 0 1 387.265 3.095 20 0 GGADMN COC[C@]1(C(=O)OC)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000449452481 566563897 /nfs/dbraw/zinc/56/38/97/566563897.db2.gz KXRPGXOKPYHOIO-SFHVURJKSA-N 0 1 380.897 3.475 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000466302629 566564306 /nfs/dbraw/zinc/56/43/06/566564306.db2.gz IRWKMUDZUKNZRC-PBHICJAKSA-N 0 1 398.345 3.198 20 0 GGADMN COC[C@@]1(C(=O)OC)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000449452465 566564550 /nfs/dbraw/zinc/56/45/50/566564550.db2.gz KXRPGXOKPYHOIO-GOSISDBHSA-N 0 1 380.897 3.475 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000466302632 566564851 /nfs/dbraw/zinc/56/48/51/566564851.db2.gz IRWKMUDZUKNZRC-YOEHRIQHSA-N 0 1 398.345 3.198 20 0 GGADMN COC[C@]1(C(=O)OC)CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000449452825 566564753 /nfs/dbraw/zinc/56/47/53/566564753.db2.gz LUWBLDFPQFUPKO-SFHVURJKSA-N 0 1 393.281 3.009 20 0 GGADMN COC[C@@]1(C(=O)OC)CCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000449452521 566564814 /nfs/dbraw/zinc/56/48/14/566564814.db2.gz LEANUYBIKZIRDA-GOSISDBHSA-N 0 1 393.281 3.009 20 0 GGADMN COC[C@]1(C(=O)OC)CCN(Cc2ccc(Br)cc2SC)C1 ZINC000449453978 566564871 /nfs/dbraw/zinc/56/48/71/566564871.db2.gz NSXMOCALYHJFCJ-INIZCTEOSA-N 0 1 388.327 3.183 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000449470197 566565653 /nfs/dbraw/zinc/56/56/53/566565653.db2.gz AJHNQJJQXBCQLY-LJQANCHMSA-N 0 1 376.547 3.057 20 0 GGADMN O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000449470751 566566419 /nfs/dbraw/zinc/56/64/19/566566419.db2.gz OBVVOQQOONVBBG-UWWQBHOKSA-N 0 1 391.313 3.155 20 0 GGADMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1cc(F)c(Br)cc1F ZINC000628573834 566566599 /nfs/dbraw/zinc/56/65/99/566566599.db2.gz ZVMIRNRAACEAMI-SECBINFHSA-N 0 1 387.228 3.436 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cncc(F)c1 ZINC000512892041 566567601 /nfs/dbraw/zinc/56/76/01/566567601.db2.gz UDGFMISYBWOZIX-SNVBAGLBSA-N 0 1 392.283 3.157 20 0 GGADMN CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000486211592 566568483 /nfs/dbraw/zinc/56/84/83/566568483.db2.gz GBVZWVRKUOZICP-SECBINFHSA-N 0 1 398.280 3.479 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2NCc1ccccc1Br ZINC000559752982 566568988 /nfs/dbraw/zinc/56/89/88/566568988.db2.gz IVFCKZCWKKZGQZ-QGZVFWFLSA-N 0 1 395.322 3.264 20 0 GGADMN Cc1cc(CNCc2cnc(N(C)C)s2)ccc1I ZINC000466364878 566569272 /nfs/dbraw/zinc/56/92/72/566569272.db2.gz RDNULNZABGNBAJ-UHFFFAOYSA-N 0 1 387.290 3.412 20 0 GGADMN OC[C@H](CN[C@H](c1cccs1)c1nnc[nH]1)Cc1c(F)cccc1Cl ZINC000559766848 566569386 /nfs/dbraw/zinc/56/93/86/566569386.db2.gz NBMJXXHWZCTHBH-MEDUHNTESA-N 0 1 380.876 3.189 20 0 GGADMN Cc1cccnc1CCCNCc1cn(-c2ccccc2Br)nn1 ZINC000449486257 566570150 /nfs/dbraw/zinc/57/01/50/566570150.db2.gz RNXWNOFSGBFLCX-UHFFFAOYSA-N 0 1 386.297 3.456 20 0 GGADMN O=C(CCc1ccc(Br)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000673990081 566570161 /nfs/dbraw/zinc/57/01/61/566570161.db2.gz SCKFXILXTPUGSG-GOSISDBHSA-N 0 1 395.341 3.095 20 0 GGADMN Cc1nn(C)c(CNCCOc2ccc(Cl)c(F)c2)c1Br ZINC000449483946 566570324 /nfs/dbraw/zinc/57/03/24/566570324.db2.gz DKZDZAMWYXAJFD-UHFFFAOYSA-N 0 1 376.657 3.452 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(C2CCC2)CC1)Oc1ccc(Br)cc1 ZINC000466375651 566570575 /nfs/dbraw/zinc/57/05/75/566570575.db2.gz WQXRJBDKCJQPLI-AWEZNQCLSA-N 0 1 396.329 3.096 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000466375492 566570706 /nfs/dbraw/zinc/57/07/06/566570706.db2.gz UHGOBPYIOWHRKZ-PBHICJAKSA-N 0 1 398.345 3.198 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000466375495 566570757 /nfs/dbraw/zinc/57/07/57/566570757.db2.gz UHGOBPYIOWHRKZ-YOEHRIQHSA-N 0 1 398.345 3.198 20 0 GGADMN C[C@@H](NCC(=O)NCC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000539245349 566570883 /nfs/dbraw/zinc/57/08/83/566570883.db2.gz AQLSVPJAWPLYSF-LLVKDONJSA-N 0 1 381.295 3.160 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCN(C(C)C)CC1 ZINC000578972589 566570911 /nfs/dbraw/zinc/57/09/11/566570911.db2.gz BTWULKGWDRYLKL-WMLDXEAASA-N 0 1 398.345 3.261 20 0 GGADMN CCC[C@@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000539255984 566570995 /nfs/dbraw/zinc/57/09/95/566570995.db2.gz UBCCOGLDSVMSRP-MRXNPFEDSA-N 0 1 386.323 3.163 20 0 GGADMN FC(F)Oc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512972687 566571185 /nfs/dbraw/zinc/57/11/85/566571185.db2.gz VNLQBHROAOIHGB-CYBMUJFWSA-N 0 1 388.764 3.294 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2N[C@H]1COc2ccc(Cl)cc21 ZINC000559790011 566571171 /nfs/dbraw/zinc/57/11/71/566571171.db2.gz RVQZXBQDDYUNAA-IRXDYDNUSA-N 0 1 378.881 3.088 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@H]1COc2ccc(Cl)cc21 ZINC000559790012 566571364 /nfs/dbraw/zinc/57/13/64/566571364.db2.gz RVQZXBQDDYUNAA-SJORKVTESA-N 0 1 378.881 3.088 20 0 GGADMN Fc1ccc([C@H](NCCNc2cccc(Br)c2)c2nnc[nH]2)cc1 ZINC000559834590 566571577 /nfs/dbraw/zinc/57/15/77/566571577.db2.gz HDDQYRVKLFPVPX-INIZCTEOSA-N 0 1 390.260 3.497 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@@H]1COc2ccc(Cl)cc21 ZINC000559790010 566571587 /nfs/dbraw/zinc/57/15/87/566571587.db2.gz RVQZXBQDDYUNAA-IAGOWNOFSA-N 0 1 378.881 3.088 20 0 GGADMN COc1cc(CNCc2cnccc2C)cc(I)c1OC ZINC000449520542 566571836 /nfs/dbraw/zinc/57/18/36/566571836.db2.gz FICPTPAPLSEBIL-UHFFFAOYSA-N 0 1 398.244 3.302 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[nH]1 ZINC000674011837 566572323 /nfs/dbraw/zinc/57/23/23/566572323.db2.gz WKSLYLGAZHXQMR-UHFFFAOYSA-N 0 1 399.299 3.058 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)n1 ZINC000674011837 566572329 /nfs/dbraw/zinc/57/23/29/566572329.db2.gz WKSLYLGAZHXQMR-UHFFFAOYSA-N 0 1 399.299 3.058 20 0 GGADMN O[C@@H](CNCc1cc(F)c(F)cc1Br)COc1ccccc1F ZINC000578999780 566572378 /nfs/dbraw/zinc/57/23/78/566572378.db2.gz UMPOHZBJGCCERW-NSHDSACASA-N 0 1 390.199 3.396 20 0 GGADMN C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1ccccc1Br ZINC000674002188 566572417 /nfs/dbraw/zinc/57/24/17/566572417.db2.gz HRUSCYIMHJHHIZ-NSHDSACASA-N 0 1 378.270 3.248 20 0 GGADMN CSCC[C@H](N[C@H]1CCc2sc(Br)cc21)C(=O)N(C)C ZINC000559857656 566572975 /nfs/dbraw/zinc/57/29/75/566572975.db2.gz YLWQXESPVBPHOP-QWRGUYRKSA-N 0 1 377.373 3.297 20 0 GGADMN CC[C@H](NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)[C@@H](C)O ZINC000449542815 566573550 /nfs/dbraw/zinc/57/35/50/566573550.db2.gz NEDSZMCSKMCBQN-BMIGLBTASA-N 0 1 386.279 3.215 20 0 GGADMN CCCOc1c(Cl)cc(CNCC(C)(C)S(C)(=O)=O)cc1OCC ZINC000674045630 566573681 /nfs/dbraw/zinc/57/36/81/566573681.db2.gz JENOWCPSNGIELA-UHFFFAOYSA-N 0 1 377.934 3.440 20 0 GGADMN CC(=O)N1CC(NCc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000579025224 566573742 /nfs/dbraw/zinc/57/37/42/566573742.db2.gz YLOVBLGDASFCLP-UHFFFAOYSA-N 0 1 389.293 3.348 20 0 GGADMN COCCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000466415061 566575147 /nfs/dbraw/zinc/57/51/47/566575147.db2.gz DIQXDAROTNAQTB-UHFFFAOYSA-N 0 1 383.853 3.116 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]2C1 ZINC000449559481 566575385 /nfs/dbraw/zinc/57/53/85/566575385.db2.gz YKVYLGNLRNDMOT-QLFBSQMISA-N 0 1 382.298 3.203 20 0 GGADMN COc1cc(Br)c(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1OC ZINC000449553777 566575654 /nfs/dbraw/zinc/57/56/54/566575654.db2.gz MTERESSUKJCMTO-VNHYZAJKSA-N 0 1 384.314 3.449 20 0 GGADMN O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000486298809 566577250 /nfs/dbraw/zinc/57/72/50/566577250.db2.gz NPAAXMSDCGHWIH-HNNXBMFYSA-N 0 1 379.298 3.155 20 0 GGADMN CSc1cc2c(cc1CNCc1ccc(C[S@@](C)=O)cc1)OCCO2 ZINC000513069538 566577738 /nfs/dbraw/zinc/57/77/38/566577738.db2.gz OSLCAZNXKLJAPW-RUZDIDTESA-N 0 1 377.531 3.348 20 0 GGADMN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000466477575 566579220 /nfs/dbraw/zinc/57/92/20/566579220.db2.gz NYTDKPNKCMJXPJ-UHFFFAOYSA-N 0 1 383.857 3.028 20 0 GGADMN COC(=O)c1cccc(CS(=O)(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000559969706 566579931 /nfs/dbraw/zinc/57/99/31/566579931.db2.gz CBCUUQYUANWMHV-UHFFFAOYSA-N 0 1 382.507 3.379 20 0 GGADMN Clc1ccc(-n2cc(CNCCCOC[C@@H]3CCCO3)nn2)c(Cl)c1 ZINC000539416841 566580173 /nfs/dbraw/zinc/58/01/73/566580173.db2.gz ZBWKIQRJAFJHIU-HNNXBMFYSA-N 0 1 385.295 3.249 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000486342604 566580330 /nfs/dbraw/zinc/58/03/30/566580330.db2.gz PCJDHRFFEBTVAX-MRXNPFEDSA-N 0 1 384.318 3.236 20 0 GGADMN Cc1ccc([C@H](NC[C@H](O)CS(=O)(=O)c2cccs2)C2CCCC2)o1 ZINC000539409527 566580548 /nfs/dbraw/zinc/58/05/48/566580548.db2.gz HVWHTUNPKOQHGC-MAUKXSAKSA-N 0 1 383.535 3.305 20 0 GGADMN Cc1ccc([C@@H](NC[C@H](O)CS(=O)(=O)c2cccs2)C2CCCC2)o1 ZINC000539409529 566580601 /nfs/dbraw/zinc/58/06/01/566580601.db2.gz HVWHTUNPKOQHGC-YJBOKZPZSA-N 0 1 383.535 3.305 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000486340061 566580721 /nfs/dbraw/zinc/58/07/21/566580721.db2.gz HNDXYGUOTDJXPO-KBPBESRZSA-N 0 1 384.318 3.378 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)c(C)c1 ZINC000466519569 566582018 /nfs/dbraw/zinc/58/20/18/566582018.db2.gz PGPMCYPASWWVBR-HNNXBMFYSA-N 0 1 389.807 3.119 20 0 GGADMN Cc1cc(CNC(=O)c2cc(Br)sc2Br)n[nH]1 ZINC000604867323 566582303 /nfs/dbraw/zinc/58/23/03/566582303.db2.gz XWWTZEUTIZAXBA-UHFFFAOYSA-N 0 1 379.077 3.235 20 0 GGADMN Cn1cc(I)c(CN[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000449604857 566583035 /nfs/dbraw/zinc/58/30/35/566583035.db2.gz LQXKCWCZENREQL-UKRRQHHQSA-N 0 1 381.261 3.451 20 0 GGADMN O=C(NCCNCc1cc(F)c(F)cc1F)c1ccc(Br)cc1 ZINC000539481484 566584212 /nfs/dbraw/zinc/58/42/12/566584212.db2.gz VKPUOFAEOKZUCG-UHFFFAOYSA-N 0 1 387.199 3.386 20 0 GGADMN COC1CCN(CCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000674324916 566584406 /nfs/dbraw/zinc/58/44/06/566584406.db2.gz IHFPUBMWAJQKMI-UHFFFAOYSA-N 0 1 381.270 3.036 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1F ZINC000560014034 566584612 /nfs/dbraw/zinc/58/46/12/566584612.db2.gz WMPYQOVRPWWPRA-UHFFFAOYSA-N 0 1 382.888 3.422 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)NCc1nn(C)cc1I ZINC000449607951 566584594 /nfs/dbraw/zinc/58/45/94/566584594.db2.gz ZXBGBPAQBDHMBD-AWEZNQCLSA-N 0 1 383.277 3.444 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)NCc1nn(C)cc1I ZINC000449607952 566584637 /nfs/dbraw/zinc/58/46/37/566584637.db2.gz ZXBGBPAQBDHMBD-CQSZACIVSA-N 0 1 383.277 3.444 20 0 GGADMN COc1c(NS(=O)(=O)c2c(C)cc(F)cc2C)cc(Cl)cc1C(N)=O ZINC000560011454 566584809 /nfs/dbraw/zinc/58/48/09/566584809.db2.gz KQWKWWJZHQYMJG-UHFFFAOYSA-N 0 1 386.832 3.004 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000674324657 566584659 /nfs/dbraw/zinc/58/46/59/566584659.db2.gz OEIDDOGFYWDTHN-UHFFFAOYSA-N 0 1 386.279 3.063 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000674324022 566584897 /nfs/dbraw/zinc/58/48/97/566584897.db2.gz KSFOZEHGZMGFRN-ZDUSSCGKSA-N 0 1 384.259 3.486 20 0 GGADMN O=C1CCc2cc(NS(=O)(=O)c3c(Cl)ccc(F)c3F)c(F)cc2N1 ZINC000560007390 566584857 /nfs/dbraw/zinc/58/48/57/566584857.db2.gz NWQKSUMTPVUUJP-UHFFFAOYSA-N 0 1 390.770 3.443 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000560013090 566585168 /nfs/dbraw/zinc/58/51/68/566585168.db2.gz ZBOWUPGKUJFCFY-UHFFFAOYSA-N 0 1 387.910 3.497 20 0 GGADMN C[C@H]1OCC[C@@]12CN(CCOc1cc(F)cc(Br)c1)C[C@@H](C)O2 ZINC000560018482 566586535 /nfs/dbraw/zinc/58/65/35/566586535.db2.gz PKKFEGAQWRXRCH-PBFPGSCMSA-N 0 1 388.277 3.235 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(CCOc1cc(F)cc(Br)c1)C[C@@H](C)O2 ZINC000560018480 566586801 /nfs/dbraw/zinc/58/68/01/566586801.db2.gz PKKFEGAQWRXRCH-IIYDPXPESA-N 0 1 388.277 3.235 20 0 GGADMN Cc1nc(C2CC2)oc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000579201545 566587886 /nfs/dbraw/zinc/58/78/86/566587886.db2.gz PUHSOUIIFHVFES-UHFFFAOYSA-N 0 1 375.226 3.429 20 0 GGADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000604967815 566588338 /nfs/dbraw/zinc/58/83/38/566588338.db2.gz NFDABFWZDLIDTR-DZKIICNBSA-N 0 1 381.314 3.302 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1nc2cc(Br)ccc2o1 ZINC000513209341 566588331 /nfs/dbraw/zinc/58/83/31/566588331.db2.gz IJCDHOONIWWPCW-CYBMUJFWSA-N 0 1 380.286 3.471 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000560034042 566588642 /nfs/dbraw/zinc/58/86/42/566588642.db2.gz AJBOOGUPPTWULH-MRXNPFEDSA-N 0 1 376.975 3.008 20 0 GGADMN COc1ccc(Br)cc1C[C@@H](CO)CNCc1csc(C)n1 ZINC000449679911 566588826 /nfs/dbraw/zinc/58/88/26/566588826.db2.gz IUIMNIDAYMMHHS-GFCCVEGCSA-N 0 1 385.327 3.163 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)CCc2cnc[nH]2)n1C ZINC000486435573 566589100 /nfs/dbraw/zinc/58/91/00/566589100.db2.gz KSNRALNNLBFBOC-UHFFFAOYSA-N 0 1 388.269 3.452 20 0 GGADMN CC(=O)CSCC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000486427456 566589284 /nfs/dbraw/zinc/58/92/84/566589284.db2.gz RKOZGFVIVCVXNR-UHFFFAOYSA-N 0 1 381.326 3.478 20 0 GGADMN C[C@H]1CCN(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000579214385 566589628 /nfs/dbraw/zinc/58/96/28/566589628.db2.gz XBIZWDWNSHANIX-BLLLJJGKSA-N 0 1 382.917 3.330 20 0 GGADMN Cc1c(Br)cccc1C[C@@H](CO)CNCc1cn(C(C)(C)C)nn1 ZINC000449678233 566589592 /nfs/dbraw/zinc/58/95/92/566589592.db2.gz AAODBZXLXQVKIK-CQSZACIVSA-N 0 1 395.345 3.045 20 0 GGADMN OC[C@H](CNCc1c(F)ccc(O)c1F)Cc1ccc(Br)cc1 ZINC000513242146 566590202 /nfs/dbraw/zinc/59/02/02/566590202.db2.gz PABNAJJMGFHAPT-LBPRGKRZSA-N 0 1 386.236 3.374 20 0 GGADMN Cc1ccc(OC[C@@H](O)CNCc2nc3c(cccc3Br)[nH]2)cc1 ZINC000579223252 566591003 /nfs/dbraw/zinc/59/10/03/566591003.db2.gz VDNIKCBNZOOCMV-ZDUSSCGKSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc(OC[C@H](O)CNCc2nc3c(cccc3Br)[nH]2)cc1 ZINC000579223251 566591060 /nfs/dbraw/zinc/59/10/60/566591060.db2.gz VDNIKCBNZOOCMV-CYBMUJFWSA-N 0 1 390.281 3.163 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C[C@H](C)N1C ZINC000513239351 566591173 /nfs/dbraw/zinc/59/11/73/566591173.db2.gz XIMPIKDZSGGCOT-UJMSNXRHSA-N 0 1 377.326 3.204 20 0 GGADMN OC[C@H](CNCc1c(F)ccc(O)c1F)Cc1cccc(Br)c1 ZINC000513241268 566591238 /nfs/dbraw/zinc/59/12/38/566591238.db2.gz HQQRPXPBOUTAQI-LBPRGKRZSA-N 0 1 386.236 3.374 20 0 GGADMN COc1ccc(CNCCS(=O)(=O)c2cccc(Br)c2)c(C)c1 ZINC000579222853 566591510 /nfs/dbraw/zinc/59/15/10/566591510.db2.gz GQUGVYGYLXKBJX-UHFFFAOYSA-N 0 1 398.322 3.330 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000579230276 566591849 /nfs/dbraw/zinc/59/18/49/566591849.db2.gz GKMINONVVAAONQ-VHSXEESVSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000579230274 566591871 /nfs/dbraw/zinc/59/18/71/566591871.db2.gz GKMINONVVAAONQ-UWVGGRQHSA-N 0 1 378.778 3.482 20 0 GGADMN CC[C@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)c1c(C)noc1C ZINC000579228049 566591966 /nfs/dbraw/zinc/59/19/66/566591966.db2.gz UNKWKYOMAKJKMT-WMLDXEAASA-N 0 1 380.286 3.495 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cccc2nc[nH]c21 ZINC000539631524 566593166 /nfs/dbraw/zinc/59/31/66/566593166.db2.gz GATISQPBSQRCIZ-GFCCVEGCSA-N 0 1 385.265 3.334 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCN(c3ccnc(C)c3Cl)CC2)c(C)s1 ZINC000486491655 566593461 /nfs/dbraw/zinc/59/34/61/566593461.db2.gz SLIMELGLWIHWBE-UHFFFAOYSA-N 0 1 385.942 3.233 20 0 GGADMN Cc1c(Br)cc(CN[C@H](C)C(=O)NCCF)cc1Br ZINC000560076449 566594528 /nfs/dbraw/zinc/59/45/28/566594528.db2.gz OXBHQAYHZDLXSL-SECBINFHSA-N 0 1 396.098 3.084 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H](CO)c1cccc(Cl)c1F)c1ccsc1 ZINC000539669912 566594935 /nfs/dbraw/zinc/59/49/35/566594935.db2.gz 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CN(CC(=O)NCCc1ccc(Br)cc1Cl)[C@@H]1CCSC1 ZINC000579634941 566625732 /nfs/dbraw/zinc/62/57/32/566625732.db2.gz YABNZWDKSFKUQC-CYBMUJFWSA-N 0 1 391.762 3.199 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCCN(CCOC)C1 ZINC000675136373 566626302 /nfs/dbraw/zinc/62/63/02/566626302.db2.gz NGMFQNKKBKHBJL-RDJZCZTQSA-N 0 1 397.357 3.245 20 0 GGADMN CCn1nnnc1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000606344299 566627086 /nfs/dbraw/zinc/62/70/86/566627086.db2.gz YSLNSKIWQDRQOR-UHFFFAOYSA-N 0 1 398.275 3.468 20 0 GGADMN Cc1ccc(OCCC(=O)N2CCN(C)C[C@@H]2C(C)C)c(Br)c1 ZINC000606339483 566627390 /nfs/dbraw/zinc/62/73/90/566627390.db2.gz NFDNWVWRZUXULM-MRXNPFEDSA-N 0 1 383.330 3.325 20 0 GGADMN Cc1nc(S(=O)(=O)NC2(c3cccc(F)c3)CC2)sc1Br ZINC000540077705 566627722 /nfs/dbraw/zinc/62/77/22/566627722.db2.gz JXNHCRWLNNDTNT-UHFFFAOYSA-N 0 1 391.287 3.321 20 0 GGADMN CCc1nc(C)c(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)s1 ZINC000425293013 566627777 /nfs/dbraw/zinc/62/77/77/566627777.db2.gz AVTOGZBNRIBBQG-UHFFFAOYSA-N 0 1 375.885 3.425 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCCOc1ccccc1Br ZINC000606339335 566627844 /nfs/dbraw/zinc/62/78/44/566627844.db2.gz BCFAFDYLGIGFEO-INIZCTEOSA-N 0 1 383.330 3.407 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000467128441 566628457 /nfs/dbraw/zinc/62/84/57/566628457.db2.gz SVCSBGZLSCVFFL-DOTOQJQBSA-N 0 1 376.547 3.350 20 0 GGADMN CCc1sc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1Br ZINC000425306933 566628651 /nfs/dbraw/zinc/62/86/51/566628651.db2.gz SYWLARJKCHSZMF-MRVPVSSYSA-N 0 1 386.271 3.181 20 0 GGADMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccccc1Br ZINC000425306184 566628811 /nfs/dbraw/zinc/62/88/11/566628811.db2.gz RWVAJIDMWRYKSO-LLVKDONJSA-N 0 1 394.269 3.222 20 0 GGADMN CSc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000467128442 566628778 /nfs/dbraw/zinc/62/87/78/566628778.db2.gz SVCSBGZLSCVFFL-NVXWUHKLSA-N 0 1 376.547 3.350 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425306174 566629169 /nfs/dbraw/zinc/62/91/69/566629169.db2.gz RUNXSBFKWJQQOP-KWCYVHTRSA-N 0 1 392.253 3.047 20 0 GGADMN CC[C@H]1CCCN1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000540099159 566629260 /nfs/dbraw/zinc/62/92/60/566629260.db2.gz QALADWFUEIAVRC-NSHDSACASA-N 0 1 396.228 3.147 20 0 GGADMN C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1cccc(Br)c1 ZINC000425324066 566630805 /nfs/dbraw/zinc/63/08/05/566630805.db2.gz PLPMLSUCGIJVHV-SNVBAGLBSA-N 0 1 380.242 3.047 20 0 GGADMN Cn1cc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)c(C2CC2)n1 ZINC000579678419 566630897 /nfs/dbraw/zinc/63/08/97/566630897.db2.gz OVGPFSVDJSALCA-UHFFFAOYSA-N 0 1 389.257 3.258 20 0 GGADMN O=C(CCCc1ccccc1Br)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425316558 566631075 /nfs/dbraw/zinc/63/10/75/566631075.db2.gz CZUHRXMCKCHFJM-UHFFFAOYSA-N 0 1 394.269 3.267 20 0 GGADMN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000486859813 566631273 /nfs/dbraw/zinc/63/12/73/566631273.db2.gz DSIOHXXKXLJQKX-UHFFFAOYSA-N 0 1 384.841 3.030 20 0 GGADMN CCc1sc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)cc1Br ZINC000425319832 566631351 /nfs/dbraw/zinc/63/13/51/566631351.db2.gz KEESYNDRXARGQI-UHFFFAOYSA-N 0 1 386.271 3.181 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@H]1CCCCCC(=O)C1 ZINC000560483990 566631588 /nfs/dbraw/zinc/63/15/88/566631588.db2.gz MHAIARMPSVDKDY-NSHDSACASA-N 0 1 378.270 3.481 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(F)cc2Cl)s1 ZINC000540149902 566632815 /nfs/dbraw/zinc/63/28/15/566632815.db2.gz CETDMXZFNPDIBP-NSHDSACASA-N 0 1 376.906 3.478 20 0 GGADMN COc1cc(C)ccc1[C@@H](C)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000540147961 566632888 /nfs/dbraw/zinc/63/28/88/566632888.db2.gz QOVSMPGMMQHGPC-CQSZACIVSA-N 0 1 382.551 3.311 20 0 GGADMN CC(C)N1C[C@@H](NCc2cc(Br)ccc2OC(F)F)CC1=O ZINC000606472135 566632910 /nfs/dbraw/zinc/63/29/10/566632910.db2.gz PDVPHVPLLJVBAT-LBPRGKRZSA-N 0 1 377.229 3.149 20 0 GGADMN CC(C)N1C[C@H](NCc2cc(Br)ccc2OC(F)F)CC1=O ZINC000606472134 566633039 /nfs/dbraw/zinc/63/30/39/566633039.db2.gz PDVPHVPLLJVBAT-GFCCVEGCSA-N 0 1 377.229 3.149 20 0 GGADMN Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1C ZINC000629284195 566633223 /nfs/dbraw/zinc/63/32/23/566633223.db2.gz FCIGYQZNBTYCBF-UHFFFAOYSA-N 0 1 398.204 3.311 20 0 GGADMN CCNC(=O)C1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CCC1 ZINC000486890946 566633367 /nfs/dbraw/zinc/63/33/67/566633367.db2.gz APDIJQLURLOQDP-UHFFFAOYSA-N 0 1 391.313 3.235 20 0 GGADMN C[C@@H](CO)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000652865857 566633857 /nfs/dbraw/zinc/63/38/57/566633857.db2.gz KBTXPRWYOCQWST-LBPRGKRZSA-N 0 1 392.297 3.320 20 0 GGADMN CC[N@@H+]1C[C@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896011 566634219 /nfs/dbraw/zinc/63/42/19/566634219.db2.gz QIUZMVJGFKWUTJ-RYUDHWBXSA-N 0 1 392.297 3.258 20 0 GGADMN CC[N@H+]1C[C@H](C)N(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896011 566634221 /nfs/dbraw/zinc/63/42/21/566634221.db2.gz QIUZMVJGFKWUTJ-RYUDHWBXSA-N 0 1 392.297 3.258 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@@H]1C ZINC000486896011 566634223 /nfs/dbraw/zinc/63/42/23/566634223.db2.gz QIUZMVJGFKWUTJ-RYUDHWBXSA-N 0 1 392.297 3.258 20 0 GGADMN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000486911328 566634445 /nfs/dbraw/zinc/63/44/45/566634445.db2.gz QHBGCDNJHCQIJW-UHFFFAOYSA-N 0 1 398.275 3.332 20 0 GGADMN Cc1cc(CNC(=O)NCc2cc(Br)ccc2OC(F)F)n[nH]1 ZINC000606496432 566634642 /nfs/dbraw/zinc/63/46/42/566634642.db2.gz FNDALGHTELVVSC-UHFFFAOYSA-N 0 1 389.200 3.081 20 0 GGADMN Clc1cc(I)ccc1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425361277 566634916 /nfs/dbraw/zinc/63/49/16/566634916.db2.gz XGRRKTGJLZITHW-JTQLQIEISA-N 0 1 388.640 3.052 20 0 GGADMN Cc1nc([C@H](C)NC(=O)COc2ccc3cc(Br)ccc3c2)n[nH]1 ZINC000579745867 566634996 /nfs/dbraw/zinc/63/49/96/566634996.db2.gz GVKQDEOXTZMERQ-JTQLQIEISA-N 0 1 389.253 3.285 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000675277873 566636270 /nfs/dbraw/zinc/63/62/70/566636270.db2.gz QAWFFJYWEUKMGX-UHFFFAOYSA-N 0 1 389.296 3.027 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000560555495 566636808 /nfs/dbraw/zinc/63/68/08/566636808.db2.gz MKTRFYQARSXYOJ-ZIAGYGMSSA-N 0 1 393.285 3.178 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2ccsc2Br)cn1 ZINC000514021148 566637512 /nfs/dbraw/zinc/63/75/12/566637512.db2.gz WTASHXITIQTSSO-UHFFFAOYSA-N 0 1 380.271 3.047 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000579784530 566638250 /nfs/dbraw/zinc/63/82/50/566638250.db2.gz BARQQAGNFQLREV-JKOKRWQUSA-N 0 1 392.301 3.436 20 0 GGADMN O=c1cc(CN(Cc2cccc(Br)c2)C2CCOCC2)occ1O ZINC000467292380 566638350 /nfs/dbraw/zinc/63/83/50/566638350.db2.gz SUXGODQVHUUFHM-UHFFFAOYSA-N 0 1 394.265 3.289 20 0 GGADMN O=C(CN(Cc1cccc(Br)c1)C1CCOCC1)N1CCCC1 ZINC000467284553 566638798 /nfs/dbraw/zinc/63/87/98/566638798.db2.gz TYRFLJLBJYEBCE-UHFFFAOYSA-N 0 1 381.314 3.053 20 0 GGADMN O=C(NCc1nc2cc(Br)ccc2o1)c1cccc(-c2nnc[nH]2)c1 ZINC000560568257 566638935 /nfs/dbraw/zinc/63/89/35/566638935.db2.gz WAOVBCPMFIZMFJ-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN C[C@]1(NC(=O)c2ncc(Br)s2)CCN(Cc2ccccc2)C1 ZINC000652940465 566638969 /nfs/dbraw/zinc/63/89/69/566638969.db2.gz RPKPDIZBHVSSHG-INIZCTEOSA-N 0 1 380.311 3.300 20 0 GGADMN CCCCNC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467284139 566639052 /nfs/dbraw/zinc/63/90/52/566639052.db2.gz ODWKFETZAIAGKK-UHFFFAOYSA-N 0 1 383.330 3.346 20 0 GGADMN CCn1ncc(NS(=O)(=O)CCc2c(F)cccc2F)c1C(F)(F)F ZINC000629299465 566639079 /nfs/dbraw/zinc/63/90/79/566639079.db2.gz TVLRYRAHEJRHPL-UHFFFAOYSA-N 0 1 383.342 3.184 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000606667427 566639478 /nfs/dbraw/zinc/63/94/78/566639478.db2.gz XJPHHYBBWHJAKI-BBWFWOEESA-N 0 1 380.330 3.287 20 0 GGADMN C[C@@]1(NC(=O)c2ncc(Br)s2)CCN(Cc2ccccc2)C1 ZINC000652940466 566639817 /nfs/dbraw/zinc/63/98/17/566639817.db2.gz RPKPDIZBHVSSHG-MRXNPFEDSA-N 0 1 380.311 3.300 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c1C ZINC000467318267 566639970 /nfs/dbraw/zinc/63/99/70/566639970.db2.gz OGSKTOXNEKGLLU-UHFFFAOYSA-N 0 1 396.266 3.449 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000606691416 566640902 /nfs/dbraw/zinc/64/09/02/566640902.db2.gz JPXLWQQXUJXTAV-QGZVFWFLSA-N 0 1 394.357 3.462 20 0 GGADMN COCCN1CC[C@H](NC(=O)N(Cc2ccc(Br)cc2)C(C)C)C1 ZINC000606704915 566641674 /nfs/dbraw/zinc/64/16/74/566641674.db2.gz DRALMDZDFILQDH-KRWDZBQOSA-N 0 1 398.345 3.090 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2cccc(C)c2)cc1O ZINC000467360529 566641880 /nfs/dbraw/zinc/64/18/80/566641880.db2.gz YVCQLJRXOYAFGP-HNNXBMFYSA-N 0 1 380.282 3.165 20 0 GGADMN Cc1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000540293872 566642370 /nfs/dbraw/zinc/64/23/70/566642370.db2.gz XYOZMAUGGQDTEN-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN CC[C@@H]1CN(C)CCN1Cc1ncc(Br)cc1Br ZINC000560616271 566644525 /nfs/dbraw/zinc/64/45/25/566644525.db2.gz VOEYDMGSSRYKMS-LLVKDONJSA-N 0 1 377.124 3.133 20 0 GGADMN COCCOCc1ccc(NS(=O)(=O)c2cc(OC)ccc2Cl)cc1 ZINC000629328378 566644544 /nfs/dbraw/zinc/64/45/44/566644544.db2.gz VAJFYBMGPMNYHY-UHFFFAOYSA-N 0 1 385.869 3.312 20 0 GGADMN Cc1cc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)ncn1 ZINC000579861511 566644595 /nfs/dbraw/zinc/64/45/95/566644595.db2.gz VTSIMLWWQRXPJB-UHFFFAOYSA-N 0 1 384.197 3.050 20 0 GGADMN C[C@@H](Cn1cc(Br)cn1)N[C@@H](CO)c1cccc(Cl)c1F ZINC000467413470 566644884 /nfs/dbraw/zinc/64/48/84/566644884.db2.gz NCPZIURXKXQXTR-ZANVPECISA-N 0 1 376.657 3.150 20 0 GGADMN C[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C1=CC[N@H+](C)CC1 ZINC000487035433 566645089 /nfs/dbraw/zinc/64/50/89/566645089.db2.gz GGZGDYFTZQPQRO-LLVKDONJSA-N 0 1 390.281 3.083 20 0 GGADMN C[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)C1=CC[N@@H+](C)CC1 ZINC000487035433 566645093 /nfs/dbraw/zinc/64/50/93/566645093.db2.gz GGZGDYFTZQPQRO-LLVKDONJSA-N 0 1 390.281 3.083 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)N[C@H](CO)c1cccc(Cl)c1F ZINC000467413467 566645118 /nfs/dbraw/zinc/64/51/18/566645118.db2.gz NCPZIURXKXQXTR-NOZJJQNGSA-N 0 1 376.657 3.150 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2ccc(F)c(Cl)c2Cl)CCC(=O)N1C ZINC000487045198 566645175 /nfs/dbraw/zinc/64/51/75/566645175.db2.gz UDOHLAGSLLUYOM-SJKOYZFVSA-N 0 1 385.270 3.318 20 0 GGADMN O=C(CN[C@H](CCO)c1ccccc1)Nc1ccc(Br)cc1F ZINC000540332283 566645409 /nfs/dbraw/zinc/64/54/09/566645409.db2.gz HCIVDRMGVKUYBW-OAHLLOKOSA-N 0 1 381.245 3.240 20 0 GGADMN C[C@@H](Cn1cc(Br)cn1)N[C@H](CO)c1cccc(Cl)c1F ZINC000467413469 566645351 /nfs/dbraw/zinc/64/53/51/566645351.db2.gz NCPZIURXKXQXTR-TVQRCGJNSA-N 0 1 376.657 3.150 20 0 GGADMN COc1ccc([C@@H](C)NCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000540330495 566645666 /nfs/dbraw/zinc/64/56/66/566645666.db2.gz VHSUBPHVEAKZQE-GFCCVEGCSA-N 0 1 388.265 3.316 20 0 GGADMN CCS(=O)(=O)c1cccc(CN[C@@H](C)c2sc(CCOC)nc2C)c1 ZINC000467421797 566646494 /nfs/dbraw/zinc/64/64/94/566646494.db2.gz YPPFUCHQUZOIAB-ZDUSSCGKSA-N 0 1 382.551 3.285 20 0 GGADMN O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCCc2[nH]ncc21 ZINC000579893948 566647443 /nfs/dbraw/zinc/64/74/43/566647443.db2.gz DKZBCSAJZBLYHB-UHFFFAOYSA-N 0 1 392.278 3.467 20 0 GGADMN OCCOCCN1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000606895886 566647299 /nfs/dbraw/zinc/64/72/99/566647299.db2.gz DMFLZTXMPVITKU-UHFFFAOYSA-N 0 1 380.941 3.195 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1cnn[nH]1 ZINC000606869456 566647680 /nfs/dbraw/zinc/64/76/80/566647680.db2.gz LGLKNTUDIMLMOK-QMMMGPOBSA-N 0 1 392.282 3.490 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC(C(=O)NCCOC)CC1 ZINC000675487416 566648794 /nfs/dbraw/zinc/64/87/94/566648794.db2.gz JGDBSUMNEZSRCS-KRWDZBQOSA-N 0 1 383.330 3.375 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000579911654 566649304 /nfs/dbraw/zinc/64/93/04/566649304.db2.gz VHMMZPXHUYZTNF-JIMOISOXSA-N 0 1 378.274 3.046 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000425482568 566649270 /nfs/dbraw/zinc/64/92/70/566649270.db2.gz HDFRMPOVHLGYBQ-UHFFFAOYSA-N 0 1 380.341 3.307 20 0 GGADMN O=C(Cc1ccccc1Br)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000560677471 566649500 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378.778 3.340 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N3CCS[C@@H](C)CC3)c12 ZINC000514675338 566662099 /nfs/dbraw/zinc/66/20/99/566662099.db2.gz PRHNVPVLEAHLFJ-JTQLQIEISA-N 0 1 380.539 3.091 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000425651853 566662244 /nfs/dbraw/zinc/66/22/44/566662244.db2.gz AVGQHLOJNHLCCO-UHFFFAOYSA-N 0 1 388.281 3.163 20 0 GGADMN Fc1cc2nccc(N3CC[C@H](CN4CCOCC4)C3)c2cc1Br ZINC000450354989 566662210 /nfs/dbraw/zinc/66/22/10/566662210.db2.gz PAYDAKQSKNECSQ-CYBMUJFWSA-N 0 1 394.288 3.295 20 0 GGADMN C[C@H]1C[N@H+](Cc2nc(-c3ccc(Br)s3)no2)CC[C@@H]1C(=O)[O-] ZINC000629496315 566662397 /nfs/dbraw/zinc/66/23/97/566662397.db2.gz RCMLTQCJKZQNID-IUCAKERBSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)CC[C@@H]1C(=O)[O-] ZINC000629496315 566662405 /nfs/dbraw/zinc/66/24/05/566662405.db2.gz RCMLTQCJKZQNID-IUCAKERBSA-N 0 1 386.271 3.103 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)Nc2cc(Br)ccc2C)CC1 ZINC000425645020 566662790 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COc1ccc(Br)c(CN[C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000675782268 566664632 /nfs/dbraw/zinc/66/46/32/566664632.db2.gz PSIAIWZBYARFFI-GFCCVEGCSA-N 0 1 388.269 3.284 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)[C@@H](C)C1 ZINC000580094030 566665524 /nfs/dbraw/zinc/66/55/24/566665524.db2.gz OVXJUJGNCLDLEL-OZVIIMIRSA-N 0 1 381.929 3.084 20 0 GGADMN O=C(NCCCc1cccc(Br)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000675819326 566665702 /nfs/dbraw/zinc/66/57/02/566665702.db2.gz XUDGJQGMCHYRTQ-HNNXBMFYSA-N 0 1 377.286 3.482 20 0 GGADMN C[C@H](CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)S(C)(=O)=O ZINC000560909737 566665621 /nfs/dbraw/zinc/66/56/21/566665621.db2.gz PSGXUZJTAHTUCN-DYVFJYSZSA-N 0 1 397.338 3.151 20 0 GGADMN C[C@H](CN[C@H](Cc1ccccn1)c1ccc(Br)cc1)S(C)(=O)=O ZINC000560909735 566666173 /nfs/dbraw/zinc/66/61/73/566666173.db2.gz PSGXUZJTAHTUCN-CXAGYDPISA-N 0 1 397.338 3.151 20 0 GGADMN NC(=O)[C@@H](CNCc1cn2cc(Cl)ccc2n1)Cc1ccccc1Cl ZINC000540717689 566667457 /nfs/dbraw/zinc/66/74/57/566667457.db2.gz 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DPVMDMHIVZCLED-AWEZNQCLSA-N 0 1 391.313 3.129 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)CCCOc2ccc(F)cc2)c1Br ZINC000468258419 566693629 /nfs/dbraw/zinc/69/36/29/566693629.db2.gz DUZRELRDTFPINR-UHFFFAOYSA-N 0 1 384.249 3.415 20 0 GGADMN CN(CC(=O)NCC1(c2ccc(Br)cc2)CCOCC1)C1CCC1 ZINC000629956129 566695063 /nfs/dbraw/zinc/69/50/63/566695063.db2.gz WTZDJDUILSFFBP-UHFFFAOYSA-N 0 1 395.341 3.098 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000608041248 566695154 /nfs/dbraw/zinc/69/51/54/566695154.db2.gz VBBPNXGNDFDUHS-MRXNPFEDSA-N 0 1 382.888 3.374 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000608040606 566695449 /nfs/dbraw/zinc/69/54/49/566695449.db2.gz HMLRJUWLQQTSEZ-GOSISDBHSA-N 0 1 378.925 3.376 20 0 GGADMN C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000629972157 566695410 /nfs/dbraw/zinc/69/54/10/566695410.db2.gz SUKVRDXTXGFEKP-UHFFFAOYSA-N 0 1 394.357 3.014 20 0 GGADMN COc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1Br ZINC000487907685 566695421 /nfs/dbraw/zinc/69/54/21/566695421.db2.gz CFFHZHXILHGOPC-WMLDXEAASA-N 0 1 393.325 3.433 20 0 GGADMN O=C(CCCNCc1ncc(Br)s1)N1Cc2ccccc2C1 ZINC000541091176 566695471 /nfs/dbraw/zinc/69/54/71/566695471.db2.gz ZNKZOEZHBPZBHU-UHFFFAOYSA-N 0 1 380.311 3.318 20 0 GGADMN CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000608040949 566695727 /nfs/dbraw/zinc/69/57/27/566695727.db2.gz LXZVFIZENXTSTB-INIZCTEOSA-N 0 1 382.888 3.374 20 0 GGADMN C[C@H]1C[C@@H](CO)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000426157992 566695813 /nfs/dbraw/zinc/69/58/13/566695813.db2.gz AEQNTXSVRZLTBZ-RYUDHWBXSA-N 0 1 378.270 3.072 20 0 GGADMN COc1cc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl ZINC000450665920 566696441 /nfs/dbraw/zinc/69/64/41/566696441.db2.gz GHOWQABGCCHHGZ-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN COc1cc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1Cl ZINC000450676804 566696608 /nfs/dbraw/zinc/69/66/08/566696608.db2.gz QOYSZNWVKJNYIS-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN O=C(NCc1cc(F)c(F)cc1Br)c1cccc(-c2nnc[nH]2)c1 ZINC000561342694 566696934 /nfs/dbraw/zinc/69/69/34/566696934.db2.gz CSHJNUDPDNCQEW-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN CC[C@H](C)[C@@](C)(O)CNCc1c(Br)cncc1Br ZINC000580491678 566697095 /nfs/dbraw/zinc/69/70/95/566697095.db2.gz QHBQQTCOJKKTKA-ZANVPECISA-N 0 1 380.124 3.493 20 0 GGADMN COCCC[N@@H+](CCO)Cc1cc(Br)cc(Br)c1 ZINC000580498430 566697616 /nfs/dbraw/zinc/69/76/16/566697616.db2.gz OKWFUJWMPCKPMG-UHFFFAOYSA-N 0 1 381.108 3.042 20 0 GGADMN CC(C)Cc1ncnc(N2CCc3cnccc32)c1I ZINC000561339354 566697467 /nfs/dbraw/zinc/69/74/67/566697467.db2.gz TUSWRWCKNVAGMR-UHFFFAOYSA-N 0 1 380.233 3.369 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H](n2ccnc2)C1 ZINC000676479668 566698178 /nfs/dbraw/zinc/69/81/78/566698178.db2.gz WIHXOFUTRWAVSE-HNNXBMFYSA-N 0 1 381.307 3.485 20 0 GGADMN C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000515236398 566698949 /nfs/dbraw/zinc/69/89/49/566698949.db2.gz MGJIXWHBMJCVBW-RYUDHWBXSA-N 0 1 379.258 3.137 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(I)c(C)n2)cc1 ZINC000426191910 566698948 /nfs/dbraw/zinc/69/89/48/566698948.db2.gz NLTXAINOMSQFHQ-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN O=C1NCc2c1cccc2NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000561378031 566699533 /nfs/dbraw/zinc/69/95/33/566699533.db2.gz HYRYDQRDDAKTTD-UHFFFAOYSA-N 0 1 375.208 3.177 20 0 GGADMN O=C1C[C@H](NCc2ccc(Br)cn2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000608072166 566699928 /nfs/dbraw/zinc/69/99/28/566699928.db2.gz XYLMUTJTNIQOBI-KSZLIROESA-N 0 1 386.293 3.091 20 0 GGADMN OCC[C@H]1CCCN1Cc1coc(-c2ccc(I)cc2)n1 ZINC000426226481 566700594 /nfs/dbraw/zinc/70/05/94/566700594.db2.gz HMEWDXVEEAAHLE-OAHLLOKOSA-N 0 1 398.244 3.293 20 0 GGADMN OCC[C@@H]1CCCN1Cc1coc(-c2ccc(I)cc2)n1 ZINC000426226480 566700825 /nfs/dbraw/zinc/70/08/25/566700825.db2.gz HMEWDXVEEAAHLE-HNNXBMFYSA-N 0 1 398.244 3.293 20 0 GGADMN COC(=O)c1cccc(CNCc2cc(Br)cc3c2OCC3)c1 ZINC000561398187 566700906 /nfs/dbraw/zinc/70/09/06/566700906.db2.gz PASHLMVYJWAEDD-UHFFFAOYSA-N 0 1 376.250 3.460 20 0 GGADMN Cc1cc(C)cc(OC[C@@H](O)CN(C)Cc2cc(Br)cn2C)c1 ZINC000468469600 566702487 /nfs/dbraw/zinc/70/24/87/566702487.db2.gz WUPNUBBZKUOHCA-KRWDZBQOSA-N 0 1 381.314 3.276 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)ccc1Br ZINC000653916730 566702586 /nfs/dbraw/zinc/70/25/86/566702586.db2.gz KHQMWTIWIHDVKQ-LBPRGKRZSA-N 0 1 380.246 3.049 20 0 GGADMN COC(=O)c1cn([C@@H]2CCCN(CCc3c(Cl)cccc3Cl)C2)nn1 ZINC000450748112 566702771 /nfs/dbraw/zinc/70/27/71/566702771.db2.gz RXSZTCAVPKHCGX-GFCCVEGCSA-N 0 1 383.279 3.251 20 0 GGADMN C[C@H](CC1CCOCC1)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468467836 566702948 /nfs/dbraw/zinc/70/29/48/566702948.db2.gz CYSURFFVMDJYNQ-CXAGYDPISA-N 0 1 383.330 3.360 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)ccc1Br ZINC000653916729 566703383 /nfs/dbraw/zinc/70/33/83/566703383.db2.gz KHQMWTIWIHDVKQ-GFCCVEGCSA-N 0 1 380.246 3.049 20 0 GGADMN C[C@@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000561419460 566703224 /nfs/dbraw/zinc/70/32/24/566703224.db2.gz LNOHIVGZBCIBOO-MEBBXXQBSA-N 0 1 385.461 3.324 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc2scc(Br)c2n1 ZINC000515310959 566703813 /nfs/dbraw/zinc/70/38/13/566703813.db2.gz AEGPVBMKEPLZIY-LLVKDONJSA-N 0 1 397.342 3.143 20 0 GGADMN O[C@@H](CNCc1cc(F)c(F)cc1Br)COCc1cccs1 ZINC000580555182 566704496 /nfs/dbraw/zinc/70/44/96/566704496.db2.gz ISDNPFDZVCXFBK-NSHDSACASA-N 0 1 392.265 3.456 20 0 GGADMN O=C(COc1cc(Cl)cc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000608120120 566704506 /nfs/dbraw/zinc/70/45/06/566704506.db2.gz ULRXGOKLLRUAEB-INIZCTEOSA-N 0 1 387.307 3.086 20 0 GGADMN Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1[O-] ZINC000676698574 566704670 /nfs/dbraw/zinc/70/46/70/566704670.db2.gz IHSQPXYIEAWASG-UHFFFAOYSA-N 0 1 383.279 3.125 20 0 GGADMN Cc1ccc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1Br ZINC000653932783 566704789 /nfs/dbraw/zinc/70/47/89/566704789.db2.gz ZPZSSTOUYHZHCY-LBPRGKRZSA-N 0 1 380.246 3.049 20 0 GGADMN O[C@H](CNCc1cc(F)c(F)cc1Br)COCc1cccs1 ZINC000580555181 566704881 /nfs/dbraw/zinc/70/48/81/566704881.db2.gz ISDNPFDZVCXFBK-LLVKDONJSA-N 0 1 392.265 3.456 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000676706137 566705327 /nfs/dbraw/zinc/70/53/27/566705327.db2.gz ITEGICHVQDCBJY-IFXJQAMLSA-N 0 1 382.287 3.325 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000468497686 566705354 /nfs/dbraw/zinc/70/53/54/566705354.db2.gz XUYXLAWLFWLAHO-KRWDZBQOSA-N 0 1 393.329 3.412 20 0 GGADMN COc1ccc(Br)c(CNC(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000488055335 566705818 /nfs/dbraw/zinc/70/58/18/566705818.db2.gz XDNSUWPVBOXASV-UHFFFAOYSA-N 0 1 387.233 3.229 20 0 GGADMN CC(C)N1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000468520318 566706337 /nfs/dbraw/zinc/70/63/37/566706337.db2.gz ZKSCWGQVBYTQBM-UHFFFAOYSA-N 0 1 379.302 3.166 20 0 GGADMN CNC(=O)[C@H](CCSC)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000580597467 566706914 /nfs/dbraw/zinc/70/69/14/566706914.db2.gz SHFNSXCUAPDLSM-AWEZNQCLSA-N 0 1 375.321 3.227 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCCCC1 ZINC000561471006 566707662 /nfs/dbraw/zinc/70/76/62/566707662.db2.gz XNTIOSUEKKDRBW-CYBMUJFWSA-N 0 1 381.828 3.018 20 0 GGADMN O=S(=O)(CCCCF)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000561472639 566707865 /nfs/dbraw/zinc/70/78/65/566707865.db2.gz ULCCLFIRLQCYER-UHFFFAOYSA-N 0 1 376.925 3.317 20 0 GGADMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1 ZINC000468532182 566707878 /nfs/dbraw/zinc/70/78/78/566707878.db2.gz WKKGKLJDSNPMHP-UHFFFAOYSA-N 0 1 389.832 3.314 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000541258549 566708183 /nfs/dbraw/zinc/70/81/83/566708183.db2.gz VCGDZRGKMWNKHT-VIFPVBQESA-N 0 1 396.241 3.063 20 0 GGADMN Cc1ccc(Br)c(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c1 ZINC000654024885 566708411 /nfs/dbraw/zinc/70/84/11/566708411.db2.gz VECGAYXTXDPTJK-LBPRGKRZSA-N 0 1 380.246 3.049 20 0 GGADMN Cc1cccn2cc(CC(=O)Nc3nc4ccc(Br)cc4[nH]3)nc12 ZINC000608220697 566709347 /nfs/dbraw/zinc/70/93/47/566709347.db2.gz TVGYJIVHNVUEST-UHFFFAOYSA-N 0 1 384.237 3.463 20 0 GGADMN O=C(CNC(=O)Nc1ccccc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000608220738 566709917 /nfs/dbraw/zinc/70/99/17/566709917.db2.gz ZZXSJYTYEQFPDI-UHFFFAOYSA-N 0 1 388.225 3.086 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654047045 566710384 /nfs/dbraw/zinc/71/03/84/566710384.db2.gz IHUGKFUHMKNMOI-LLVKDONJSA-N 0 1 386.239 3.293 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC000654042018 566710424 /nfs/dbraw/zinc/71/04/24/566710424.db2.gz OIKHMZBMIOKONR-GFCCVEGCSA-N 0 1 380.246 3.049 20 0 GGADMN CC(C)N(CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(Br)cc1 ZINC000541280704 566710690 /nfs/dbraw/zinc/71/06/90/566710690.db2.gz IEXJFZVGGJEPOU-UHFFFAOYSA-N 0 1 399.329 3.117 20 0 GGADMN CCN(CC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1)C1CC1 ZINC000468569334 566710709 /nfs/dbraw/zinc/71/07/09/566710709.db2.gz IDXVIRIRWRBQSF-INIZCTEOSA-N 0 1 380.330 3.336 20 0 GGADMN O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1nc2ccc(Br)cc2[nH]1 ZINC000608220733 566710965 /nfs/dbraw/zinc/71/09/65/566710965.db2.gz ZUNIROGGKFBXLY-LLVKDONJSA-N 0 1 385.221 3.390 20 0 GGADMN COc1cc(Br)c(Cl)cc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000580649009 566711505 /nfs/dbraw/zinc/71/15/05/566711505.db2.gz MHGIKZGXKXUDOR-JTQLQIEISA-N 0 1 375.694 3.277 20 0 GGADMN CCCN(C(=O)c1c[nH]c2ccc(I)cc2c1=O)C(C)C ZINC000515433044 566712775 /nfs/dbraw/zinc/71/27/75/566712775.db2.gz NORAQUNSPMYGFI-UHFFFAOYSA-N 0 1 398.244 3.393 20 0 GGADMN Cc1cccc2sc(C(=O)N3CC[NH+]([C@@H](C)CC(=O)[O-])CC3)c(Cl)c21 ZINC000630222069 566713097 /nfs/dbraw/zinc/71/30/97/566713097.db2.gz CFNHHLKHHPQFCY-LBPRGKRZSA-N 0 1 380.897 3.484 20 0 GGADMN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1n[nH]c2ccccc21 ZINC000468598525 566713122 /nfs/dbraw/zinc/71/31/22/566713122.db2.gz MGGGMFGHVMMLEF-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2ccc(Br)s2)cn1 ZINC000426452164 566713219 /nfs/dbraw/zinc/71/32/19/566713219.db2.gz UUTLCYYQEHOZMP-UHFFFAOYSA-N 0 1 380.271 3.047 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000561523275 566713537 /nfs/dbraw/zinc/71/35/37/566713537.db2.gz VOHSESHNXOWKOS-CXAGYDPISA-N 0 1 395.341 3.157 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000630222175 566713710 /nfs/dbraw/zinc/71/37/10/566713710.db2.gz DYWKTEGUGCWTTN-JTQLQIEISA-N 0 1 399.925 3.146 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000561523278 566714123 /nfs/dbraw/zinc/71/41/23/566714123.db2.gz VOHSESHNXOWKOS-SUMWQHHRSA-N 0 1 395.341 3.157 20 0 GGADMN O=C(Cc1csc2ccc(Cl)cc12)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000676878599 566714745 /nfs/dbraw/zinc/71/47/45/566714745.db2.gz CPVMKNFFOBVUGL-IAGOWNOFSA-N 0 1 378.925 3.155 20 0 GGADMN CCOC(=O)C[C@@](C)(NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(C)C ZINC000561527453 566714965 /nfs/dbraw/zinc/71/49/65/566714965.db2.gz XHWUXGVCOLJUSX-OAHLLOKOSA-N 0 1 383.844 3.264 20 0 GGADMN CC(=O)NC1CCC(N(C)CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000541313909 566715089 /nfs/dbraw/zinc/71/50/89/566715089.db2.gz VBXZMLSWOYUVOU-UHFFFAOYSA-N 0 1 396.329 3.075 20 0 GGADMN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc2nc[nH]c21 ZINC000468619401 566715368 /nfs/dbraw/zinc/71/53/68/566715368.db2.gz HCMQFJIUWDOHSU-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN C[C@@H](C(=O)NCc1nc2cc(Br)ccc2o1)N1CCCCCC1 ZINC000515494434 566716099 /nfs/dbraw/zinc/71/60/99/566716099.db2.gz QTMOCOWSQBAOJO-LBPRGKRZSA-N 0 1 380.286 3.471 20 0 GGADMN C[C@H](C(=O)NCc1nc2cc(Br)ccc2o1)N1CCCCCC1 ZINC000515494433 566716298 /nfs/dbraw/zinc/71/62/98/566716298.db2.gz QTMOCOWSQBAOJO-GFCCVEGCSA-N 0 1 380.286 3.471 20 0 GGADMN Cc1nc(CSc2nc3scc(-c4cccs4)c3c(=O)n2C)n[nH]1 ZINC000488216952 566716367 /nfs/dbraw/zinc/71/63/67/566716367.db2.gz JHSQDOQTPNBJNH-UHFFFAOYSA-N 0 1 375.504 3.442 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000541330089 566716866 /nfs/dbraw/zinc/71/68/66/566716866.db2.gz XPSPGQYNANLJCA-RYUDHWBXSA-N 0 1 375.296 3.444 20 0 GGADMN C[C@@H]1CN(CCCC(=O)c2ccc(Br)cc2)C[C@]2(CCOC2)O1 ZINC000450895769 566716936 /nfs/dbraw/zinc/71/69/36/566716936.db2.gz LUHUWEGPEOAZCM-KDOFPFPSSA-N 0 1 382.298 3.292 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450896861 566717427 /nfs/dbraw/zinc/71/74/27/566717427.db2.gz OUSGJWHJTQSRNA-NOZJJQNGSA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000450896861 566717432 /nfs/dbraw/zinc/71/74/32/566717432.db2.gz OUSGJWHJTQSRNA-NOZJJQNGSA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)c1ccc(CN(CCO)Cc2cccc(Br)c2)cc1F ZINC000488240667 566717654 /nfs/dbraw/zinc/71/76/54/566717654.db2.gz BUDLJNDMBVYNRM-UHFFFAOYSA-N 0 1 396.256 3.369 20 0 GGADMN Cc1cc(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc(F)c1Br ZINC000654108931 566717940 /nfs/dbraw/zinc/71/79/40/566717940.db2.gz QJAXQGIASIFFTB-LLVKDONJSA-N 0 1 398.236 3.188 20 0 GGADMN Cc1ccc(F)c(Br)c1NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654104793 566718122 /nfs/dbraw/zinc/71/81/22/566718122.db2.gz JBJKRVPRFFEZJL-JTQLQIEISA-N 0 1 398.236 3.188 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)C(=O)NCc1cc(C)[nH]n1 ZINC000608439640 566718481 /nfs/dbraw/zinc/71/84/81/566718481.db2.gz LADMHNDPRCBYKX-UHFFFAOYSA-N 0 1 381.274 3.091 20 0 GGADMN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cccc(Br)c1O ZINC000608459498 566718873 /nfs/dbraw/zinc/71/88/73/566718873.db2.gz GVQJJRCLSMPVTD-CQSZACIVSA-N 0 1 378.222 3.417 20 0 GGADMN Cc1nc(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)n[nH]1 ZINC000488285599 566719123 /nfs/dbraw/zinc/71/91/23/566719123.db2.gz NQNQWGOGEAWBJA-JTQLQIEISA-N 0 1 377.905 3.262 20 0 GGADMN O=C(NCCc1nc2cc(Cl)ccc2s1)c1csc(=NC2CC2)[nH]1 ZINC000426609310 566720486 /nfs/dbraw/zinc/72/04/86/566720486.db2.gz FMMCQMGZHBVUAF-UHFFFAOYSA-N 0 1 378.910 3.375 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2cc(F)ccc2Br)cn1 ZINC000426617154 566720601 /nfs/dbraw/zinc/72/06/01/566720601.db2.gz DGSQOVHRKNAEBB-UHFFFAOYSA-N 0 1 392.232 3.125 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450913736 566720871 /nfs/dbraw/zinc/72/08/71/566720871.db2.gz ZFEQNCOGQTZREW-GWCFXTLKSA-N 0 1 386.235 3.176 20 0 GGADMN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450913736 566720872 /nfs/dbraw/zinc/72/08/72/566720872.db2.gz ZFEQNCOGQTZREW-GWCFXTLKSA-N 0 1 386.235 3.176 20 0 GGADMN C[C@H](C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1)N1CCCCCC1 ZINC000468708445 566721428 /nfs/dbraw/zinc/72/14/28/566721428.db2.gz VCEKDANWVWDNMJ-GFCCVEGCSA-N 0 1 392.301 3.437 20 0 GGADMN COc1cc(CNC[C@@H](O)CCc2ccccc2)c(Br)cc1O ZINC000541383458 566721779 /nfs/dbraw/zinc/72/17/79/566721779.db2.gz UGISDZGFIDXBRP-HNNXBMFYSA-N 0 1 380.282 3.247 20 0 GGADMN Cc1ncc(CNCc2ccc(Br)c(Br)c2)c(=O)[nH]1 ZINC000541378754 566721955 /nfs/dbraw/zinc/72/19/55/566721955.db2.gz SJFWBKYYOYIWIC-UHFFFAOYSA-N 0 1 387.075 3.305 20 0 GGADMN CCc1nc(C[NH2+]Cc2cc(Br)cc3c2OCC3)ccc1C(=O)[O-] ZINC000426652421 566722196 /nfs/dbraw/zinc/72/21/96/566722196.db2.gz UCJQBELJVNOFBQ-UHFFFAOYSA-N 0 1 391.265 3.329 20 0 GGADMN O=c1[nH]nc(SCc2ccc(F)c(Br)c2)n1C[C@H]1CCCO1 ZINC000515582735 566722286 /nfs/dbraw/zinc/72/22/86/566722286.db2.gz QLNJKXAZEUOZTL-SNVBAGLBSA-N 0 1 388.262 3.357 20 0 GGADMN CS(=O)(=O)N1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000515659149 566725578 /nfs/dbraw/zinc/72/55/78/566725578.db2.gz HAZBBUBVZLJAQR-QZTJIDSGSA-N 0 1 382.888 3.192 20 0 GGADMN COCCN1CC[C@H](NC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)C1 ZINC000515678029 566727103 /nfs/dbraw/zinc/72/71/03/566727103.db2.gz KRWZOVVXTUWQKZ-INIZCTEOSA-N 0 1 397.357 3.163 20 0 GGADMN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)c(O)cc1F ZINC000561670726 566727535 /nfs/dbraw/zinc/72/75/35/566727535.db2.gz VEHAALYCBNJBCJ-UHFFFAOYSA-N 0 1 382.182 3.130 20 0 GGADMN CCc1[nH]nc(C(=O)N(CCOC)CCc2ccccc2)c1Br ZINC000468777904 566728108 /nfs/dbraw/zinc/72/81/08/566728108.db2.gz BCDNHTKRRJPALQ-UHFFFAOYSA-N 0 1 380.286 3.066 20 0 GGADMN Brc1ccc(CN(CCc2cscn2)CCn2ccnc2)o1 ZINC000450981752 566728411 /nfs/dbraw/zinc/72/84/11/566728411.db2.gz YXPAUPHFESPJLD-UHFFFAOYSA-N 0 1 381.299 3.440 20 0 GGADMN CC(C)c1cc(NS(=O)(=O)Cc2ccc(Br)c(F)c2)n[nH]1 ZINC000450980998 566728760 /nfs/dbraw/zinc/72/87/60/566728760.db2.gz WDHNLFDKMNLCTH-UHFFFAOYSA-N 0 1 376.251 3.377 20 0 GGADMN O=C(NCCc1ccc(Cl)cc1Cl)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654347185 566728965 /nfs/dbraw/zinc/72/89/65/566728965.db2.gz UZARZGIIPOBWHI-CYBMUJFWSA-N 0 1 384.267 3.005 20 0 GGADMN CCN1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C[C@@H]1C ZINC000677177804 566728798 /nfs/dbraw/zinc/72/87/98/566728798.db2.gz WJCDMSQIMSSDCK-RDJZCZTQSA-N 0 1 397.357 3.197 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000515718069 566729170 /nfs/dbraw/zinc/72/91/70/566729170.db2.gz RCWVJTJUKSEJCJ-OAHLLOKOSA-N 0 1 389.323 3.235 20 0 GGADMN CCN1CCN(C(=O)c2cc(C)nc3ccc(Br)cc32)C[C@H]1C ZINC000677192695 566729373 /nfs/dbraw/zinc/72/93/73/566729373.db2.gz MFHNRNGUVBJFJH-CYBMUJFWSA-N 0 1 376.298 3.472 20 0 GGADMN CCN1CCN(C(=O)Cc2c(C)[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000677192626 566729785 /nfs/dbraw/zinc/72/97/85/566729785.db2.gz KCJHQZBALTYSSF-GFCCVEGCSA-N 0 1 378.314 3.334 20 0 GGADMN CCN1CCN(C(=O)c2cc(C)nc3ccc(Br)cc32)C[C@@H]1C ZINC000677192696 566729931 /nfs/dbraw/zinc/72/99/31/566729931.db2.gz MFHNRNGUVBJFJH-ZDUSSCGKSA-N 0 1 376.298 3.472 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H](C)C1 ZINC000515737041 566730950 /nfs/dbraw/zinc/73/09/50/566730950.db2.gz DLDGGOFPWGYYCM-RYUDHWBXSA-N 0 1 396.887 3.340 20 0 GGADMN Cc1nc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)sc1C ZINC000677209581 566731630 /nfs/dbraw/zinc/73/16/30/566731630.db2.gz CBWHTGCZLINUPU-UHFFFAOYSA-N 0 1 396.310 3.190 20 0 GGADMN Cc1c(NS(=O)(=O)c2cc(Cl)sc2Cl)cnn1[C@@H]1CCOC1 ZINC000580874636 566731590 /nfs/dbraw/zinc/73/15/90/566731590.db2.gz NRLKYLNFJHGKDD-MRVPVSSYSA-N 0 1 382.294 3.322 20 0 GGADMN Cc1c(NS(=O)(=O)c2cc(Cl)sc2Cl)cnn1[C@H]1CCOC1 ZINC000580874637 566731722 /nfs/dbraw/zinc/73/17/22/566731722.db2.gz NRLKYLNFJHGKDD-QMMMGPOBSA-N 0 1 382.294 3.322 20 0 GGADMN Cc1cc(SCC(=O)NCc2n[nH]c(C3CC3)n2)c(C)cc1Br ZINC000515775932 566731910 /nfs/dbraw/zinc/73/19/10/566731910.db2.gz MFKNFNHMPWFWFX-UHFFFAOYSA-N 0 1 395.326 3.470 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000468818176 566732082 /nfs/dbraw/zinc/73/20/82/566732082.db2.gz DXUURWLJTXLLQI-KRWDZBQOSA-N 0 1 391.313 3.010 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000468808061 566732682 /nfs/dbraw/zinc/73/26/82/566732682.db2.gz CNGBTYFMDSWXAY-AWEZNQCLSA-N 0 1 385.335 3.498 20 0 GGADMN COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ncc(Br)cc2F)cc1 ZINC000630453459 566733018 /nfs/dbraw/zinc/73/30/18/566733018.db2.gz OYCWVOMCZJKUON-AWEZNQCLSA-N 0 1 383.217 3.297 20 0 GGADMN C[C@](CO)(NCC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1 ZINC000608756716 566733284 /nfs/dbraw/zinc/73/32/84/566733284.db2.gz DSTWBYSZEWYCKR-QGZVFWFLSA-N 0 1 399.235 3.163 20 0 GGADMN CO[C@@H]1CN(Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C[C@H]1OC ZINC000488554087 566733568 /nfs/dbraw/zinc/73/35/68/566733568.db2.gz FOFSFOUBIYDCLX-QZTJIDSGSA-N 0 1 394.313 3.097 20 0 GGADMN CN(CC(=O)NCc1cccs1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000426821554 566733515 /nfs/dbraw/zinc/73/35/15/566733515.db2.gz UNHFEUZJCVJDRX-UHFFFAOYSA-N 0 1 394.909 3.242 20 0 GGADMN COc1ccc(S(=O)(=O)N(C)CCCN(C)Cc2ccco2)c(Cl)c1 ZINC000561728724 566733811 /nfs/dbraw/zinc/73/38/11/566733811.db2.gz VAIFKCJRRAHLNQ-UHFFFAOYSA-N 0 1 386.901 3.084 20 0 GGADMN O=C(CN[C@@H]1CCC(=O)Nc2ccccc21)Nc1ccc(Br)cc1 ZINC000541546601 566733766 /nfs/dbraw/zinc/73/37/66/566733766.db2.gz ZNOVEFFWRPTSGP-OAHLLOKOSA-N 0 1 388.265 3.451 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000468825741 566734450 /nfs/dbraw/zinc/73/44/50/566734450.db2.gz DJCZNURZTNHXFV-UHFFFAOYSA-N 0 1 397.331 3.409 20 0 GGADMN COc1ccc(O)c(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000468828494 566734813 /nfs/dbraw/zinc/73/48/13/566734813.db2.gz DVLSNIOIRKRXHG-UHFFFAOYSA-N 0 1 379.768 3.456 20 0 GGADMN COc1cc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)cc(Br)c1O ZINC000630463561 566734917 /nfs/dbraw/zinc/73/49/17/566734917.db2.gz CJQREWWQPCWPQY-ZETCQYMHSA-N 0 1 387.255 3.169 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CSC)CC1 ZINC000488556897 566735252 /nfs/dbraw/zinc/73/52/52/566735252.db2.gz DIMUBTJBMNSHGJ-IRXDYDNUSA-N 0 1 387.387 3.242 20 0 GGADMN OCCN(Cc1cc(Br)ccc1F)C[C@@H](O)CCc1ccccc1 ZINC000541590320 566736843 /nfs/dbraw/zinc/73/68/43/566736843.db2.gz YWLAYPBLNQJTQA-SFHVURJKSA-N 0 1 396.300 3.376 20 0 GGADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000580963870 566738019 /nfs/dbraw/zinc/73/80/19/566738019.db2.gz UAORYWSOXBNWON-SNVBAGLBSA-N 0 1 385.873 3.155 20 0 GGADMN O[C@@H](COCC(F)(F)F)CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451023894 566738094 /nfs/dbraw/zinc/73/80/94/566738094.db2.gz VTLAAMOPTKIGSB-BXUZGUMPSA-N 0 1 377.794 3.293 20 0 GGADMN COCC[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1ccco1 ZINC000541599242 566738106 /nfs/dbraw/zinc/73/81/06/566738106.db2.gz CLGVWHBBJGOZFF-ZBFHGGJFSA-N 0 1 384.270 3.149 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1csc(-c2ccccc2)n1)c1ccsc1 ZINC000468860187 566738781 /nfs/dbraw/zinc/73/87/81/566738781.db2.gz HBXMZEGTFAMUBO-CQSZACIVSA-N 0 1 394.499 3.064 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000677313073 566739253 /nfs/dbraw/zinc/73/92/53/566739253.db2.gz GPWDTLGGPARQHA-QGZVFWFLSA-N 0 1 382.888 3.374 20 0 GGADMN C[C@@H]1[C@@H](C)N(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CCN1C ZINC000426934859 566739572 /nfs/dbraw/zinc/73/95/72/566739572.db2.gz RZDDLBJNDRQQSR-ZIAGYGMSSA-N 0 1 377.941 3.481 20 0 GGADMN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2c(C)cc(C)cc2C)n1 ZINC000451033169 566739748 /nfs/dbraw/zinc/73/97/48/566739748.db2.gz ANRGPVCKLCPOGU-UHFFFAOYSA-N 0 1 382.507 3.320 20 0 GGADMN COc1cc([C@@H](C)NCCNC(=O)c2cccc(Br)c2)c(F)cn1 ZINC000580969457 566739953 /nfs/dbraw/zinc/73/99/53/566739953.db2.gz BROSHWBEWMLEBG-LLVKDONJSA-N 0 1 396.260 3.072 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)[C@H](COC)Cc2ccccc2)c1Br ZINC000468884414 566740292 /nfs/dbraw/zinc/74/02/92/566740292.db2.gz INGFWCWWQWUTTH-ZDUSSCGKSA-N 0 1 380.286 3.064 20 0 GGADMN COCCOCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000561792627 566740373 /nfs/dbraw/zinc/74/03/73/566740373.db2.gz HSARWHFRCXVJSD-OLZOCXBDSA-N 0 1 377.312 3.154 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000468878210 566740330 /nfs/dbraw/zinc/74/03/30/566740330.db2.gz HHSCBXAFBOYYQQ-UHFFFAOYSA-N 0 1 382.423 3.339 20 0 GGADMN O=C(NCCCCc1ccc(Cl)s1)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654558796 566740645 /nfs/dbraw/zinc/74/06/45/566740645.db2.gz IOFYFTMRQRFFNH-GFCCVEGCSA-N 0 1 383.905 3.193 20 0 GGADMN C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000426980820 566741030 /nfs/dbraw/zinc/74/10/30/566741030.db2.gz BQDZTKWPIOXLAS-LIRRHRJNSA-N 0 1 378.925 3.258 20 0 GGADMN CN(C)[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1ccsc1 ZINC000451034789 566741322 /nfs/dbraw/zinc/74/13/22/566741322.db2.gz DLXISNPAQYYSCD-LBPRGKRZSA-N 0 1 394.440 3.054 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)CCCc1cccc(Br)c1 ZINC000654563597 566741528 /nfs/dbraw/zinc/74/15/28/566741528.db2.gz FWYHDAOLCPZUMQ-UHFFFAOYSA-N 0 1 393.285 3.356 20 0 GGADMN O=C(NCCCCc1ccc(Cl)s1)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654558800 566741826 /nfs/dbraw/zinc/74/18/26/566741826.db2.gz IOFYFTMRQRFFNH-LBPRGKRZSA-N 0 1 383.905 3.193 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1C ZINC000427016967 566742321 /nfs/dbraw/zinc/74/23/21/566742321.db2.gz TUOCEVBXOQJIJZ-UHFFFAOYSA-N 0 1 375.475 3.411 20 0 GGADMN Cc1ccn2cc(CNC[C@@H](O)COc3cc(Cl)ccc3Cl)nc2c1 ZINC000581006884 566742591 /nfs/dbraw/zinc/74/25/91/566742591.db2.gz UDOPSZUCMJSFIE-OAHLLOKOSA-N 0 1 380.275 3.479 20 0 GGADMN NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000468915867 566742886 /nfs/dbraw/zinc/74/28/86/566742886.db2.gz ITCBHRJDXTZFSS-SFYZADRCSA-N 0 1 375.650 3.038 20 0 GGADMN C[C@@H](NCCCn1ccnc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541683191 566743361 /nfs/dbraw/zinc/74/33/61/566743361.db2.gz JFMDOEYKEMRXGI-GFCCVEGCSA-N 0 1 376.258 3.437 20 0 GGADMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(CC(F)(F)F)cs3)ccc2O1 ZINC000451053879 566743885 /nfs/dbraw/zinc/74/38/85/566743885.db2.gz GGABZKOMIZJYFY-MRVPVSSYSA-N 0 1 378.397 3.372 20 0 GGADMN O=C([O-])C[N@@H+](CCN1CCc2ccccc21)Cc1cccc(Br)c1 ZINC000581018172 566744229 /nfs/dbraw/zinc/74/42/29/566744229.db2.gz UOPCUIRYUIFWHD-UHFFFAOYSA-N 0 1 389.293 3.398 20 0 GGADMN Brc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(N2CCOCC2)c1 ZINC000581027144 566744267 /nfs/dbraw/zinc/74/42/67/566744267.db2.gz JUMUVANESBPBCQ-MJGOQNOKSA-N 0 1 395.341 3.429 20 0 GGADMN Brc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)c(N2CCOCC2)c1 ZINC000581027142 566744452 /nfs/dbraw/zinc/74/44/52/566744452.db2.gz JUMUVANESBPBCQ-HKUYNNGSSA-N 0 1 395.341 3.429 20 0 GGADMN CC(C)c1cc(N[C@@H](CO)c2ccc(Br)c(F)c2)nc(N(C)C)n1 ZINC000488725593 566744743 /nfs/dbraw/zinc/74/47/43/566744743.db2.gz DRKSZAHVGVJBOO-HNNXBMFYSA-N 0 1 397.292 3.135 20 0 GGADMN O=C(NCCc1nc[nH]n1)c1ccccc1Oc1cccc(Br)c1 ZINC000468928076 566744705 /nfs/dbraw/zinc/74/47/05/566744705.db2.gz JSUAITFPTFERLG-UHFFFAOYSA-N 0 1 387.237 3.332 20 0 GGADMN CSc1n[nH]c(NC(=O)c2cc(Cl)ccc2I)n1 ZINC000608986464 566744915 /nfs/dbraw/zinc/74/49/15/566744915.db2.gz HNTKVZAYFHCZRN-UHFFFAOYSA-N 0 1 394.625 3.037 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2c(C)ccc(F)c2Br)nc1C ZINC000451061141 566745661 /nfs/dbraw/zinc/74/56/61/566745661.db2.gz AVTYNHOTWCBTQD-UHFFFAOYSA-N 0 1 376.251 3.222 20 0 GGADMN C[C@H]1[C@H](N2CCCC2)CCN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000561896226 566746042 /nfs/dbraw/zinc/74/60/42/566746042.db2.gz NUIWVWFAQXYCCE-XJKSGUPXSA-N 0 1 391.364 3.326 20 0 GGADMN CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000654636966 566746918 /nfs/dbraw/zinc/74/69/18/566746918.db2.gz RIVVGMGISQBAHE-ZDUSSCGKSA-N 0 1 384.267 3.305 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCCc1c[nH]c2ccc(Br)cc12 ZINC000468955679 566747045 /nfs/dbraw/zinc/74/70/45/566747045.db2.gz MPGRDBZIGCWXDA-UHFFFAOYSA-N 0 1 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C[C@@H]1CC[C@H](N(CCO)Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000562212086 566770185 /nfs/dbraw/zinc/77/01/85/566770185.db2.gz QWRDBTQOAZKGCJ-HIFRSBDPSA-N 0 1 379.302 3.013 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC(C)C)c(C)c1)c1cccs1 ZINC000609542768 566770254 /nfs/dbraw/zinc/77/02/54/566770254.db2.gz RVMIVNSCQOTODX-INIZCTEOSA-N 0 1 383.491 3.036 20 0 GGADMN CCn1c(NC(=O)[C@@H](C)Cc2cnc[nH]2)nc2ccc(Br)cc21 ZINC000654981720 566770634 /nfs/dbraw/zinc/77/06/34/566770634.db2.gz ZWRVJEGGXYRBDC-JTQLQIEISA-N 0 1 376.258 3.359 20 0 GGADMN CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccccc1I ZINC000516574486 566770898 /nfs/dbraw/zinc/77/08/98/566770898.db2.gz OQMJJZRVBWTEFP-QWHCGFSZSA-N 0 1 388.293 3.494 20 0 GGADMN C[C@H]1CC[C@@H](N(CCO)Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000562212084 566770987 /nfs/dbraw/zinc/77/09/87/566770987.db2.gz QWRDBTQOAZKGCJ-DZGCQCFKSA-N 0 1 379.302 3.013 20 0 GGADMN NC1(c2noc(-c3cc(Br)cnc3OCC3CC3)n2)CCCC1 ZINC000581369264 566771387 /nfs/dbraw/zinc/77/13/87/566771387.db2.gz ODETXZMEFOBKIQ-UHFFFAOYSA-N 0 1 379.258 3.411 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@]1(C)OCCc2sccc21)c1cccs1 ZINC000562226715 566771543 /nfs/dbraw/zinc/77/15/43/566771543.db2.gz BVBSHMFUTWZION-KSSFIOAISA-N 0 1 379.551 3.200 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N[C@@H](C)c3nccs3)c12 ZINC000581372522 566771604 /nfs/dbraw/zinc/77/16/04/566771604.db2.gz LRJZPHCXMAIABU-VIFPVBQESA-N 0 1 377.495 3.389 20 0 GGADMN CC(C)OCc1ccccc1CNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042469 566772130 /nfs/dbraw/zinc/77/21/30/566772130.db2.gz JGKJZUCMXKCVQM-UHFFFAOYSA-N 0 1 382.913 3.202 20 0 GGADMN O=C([O-])CC1(C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)CC1 ZINC000581381702 566772180 /nfs/dbraw/zinc/77/21/80/566772180.db2.gz WCXUBYPBUNBCMZ-CQSZACIVSA-N 0 1 399.272 3.411 20 0 GGADMN COCCN1CCC[C@@H]1CNC(=O)c1oc2c(cccc2Br)c1C ZINC000542054965 566772477 /nfs/dbraw/zinc/77/24/77/566772477.db2.gz BWWIXVHBMVBKDD-CYBMUJFWSA-N 0 1 395.297 3.344 20 0 GGADMN C[C@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc([S@](C)=O)cc1 ZINC000542046635 566772598 /nfs/dbraw/zinc/77/25/98/566772598.db2.gz IZHLVLOWZLIESL-MCFWBGNESA-N 0 1 384.954 3.448 20 0 GGADMN C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000631042459 566772799 /nfs/dbraw/zinc/77/27/99/566772799.db2.gz JCNCTCZUXGIVDP-SNVBAGLBSA-N 0 1 390.839 3.440 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@]1(C)OCCc2sccc21)c1ccsc1 ZINC000562245929 566773117 /nfs/dbraw/zinc/77/31/17/566773117.db2.gz TUCPLOKCEXJWJS-MAUKXSAKSA-N 0 1 379.551 3.200 20 0 GGADMN COCCc1ncc(CNCc2cc(Br)c3c(c2)OCCO3)s1 ZINC000631054871 566773489 /nfs/dbraw/zinc/77/34/89/566773489.db2.gz YOFUQHUTTMFWBB-UHFFFAOYSA-N 0 1 399.310 3.156 20 0 GGADMN O=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1cncc(F)c1 ZINC000562236814 566773617 /nfs/dbraw/zinc/77/36/17/566773617.db2.gz NLRYBWPXYOLPHA-UHFFFAOYSA-N 0 1 398.213 3.439 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cs1 ZINC000451183525 566773813 /nfs/dbraw/zinc/77/38/13/566773813.db2.gz IUVMMSDPHGCAML-QMMMGPOBSA-N 0 1 380.413 3.469 20 0 GGADMN O=C(CCc1c(Cl)cccc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000655056400 566774519 /nfs/dbraw/zinc/77/45/19/566774519.db2.gz RAQBEPUWYAMOOD-HNNXBMFYSA-N 0 1 385.335 3.497 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)COc2ccc(Br)cc2)n[nH]1 ZINC000489163602 566774459 /nfs/dbraw/zinc/77/44/59/566774459.db2.gz CUGCJLNXBXAPNV-MNOVXSKESA-N 0 1 381.274 3.337 20 0 GGADMN COCCc1ncc(CNCc2cc3c(c(Br)c2)OCO3)s1 ZINC000631052809 566774784 /nfs/dbraw/zinc/77/47/84/566774784.db2.gz RZVYOTARVYLGEM-UHFFFAOYSA-N 0 1 385.283 3.113 20 0 GGADMN Cc1cc(CNC(=O)CCCCc2ccc(I)cc2)n[nH]1 ZINC000609595303 566775135 /nfs/dbraw/zinc/77/51/35/566775135.db2.gz YMECYTNPBDQIAJ-UHFFFAOYSA-N 0 1 397.260 3.352 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(I)cc2)n[nH]1 ZINC000489210260 566775484 /nfs/dbraw/zinc/77/54/84/566775484.db2.gz UJAXJEFOSDWQTC-ZJUUUORDSA-N 0 1 398.248 3.414 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)COc2ccccc2Br)n[nH]1 ZINC000489217140 566775894 /nfs/dbraw/zinc/77/58/94/566775894.db2.gz KMAFNHQZACXOSC-MNOVXSKESA-N 0 1 381.274 3.337 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)COc2cccc(Br)c2)n[nH]1 ZINC000489224110 566775932 /nfs/dbraw/zinc/77/59/32/566775932.db2.gz YBAPLFYDMFUUQN-WDEREUQCSA-N 0 1 381.274 3.337 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)COc2cccc(Br)c2)n[nH]1 ZINC000489224106 566776083 /nfs/dbraw/zinc/77/60/83/566776083.db2.gz YBAPLFYDMFUUQN-MNOVXSKESA-N 0 1 381.274 3.337 20 0 GGADMN COc1cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(F)cc1Br ZINC000631078061 566776517 /nfs/dbraw/zinc/77/65/17/566776517.db2.gz POJXCEGXSWVFKP-NWDGAFQWSA-N 0 1 394.306 3.042 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2COc3ccc(Br)cc32)n[nH]1 ZINC000489229931 566776980 /nfs/dbraw/zinc/77/69/80/566776980.db2.gz ZLWWYOLSTLCGOI-OPQQBVKSSA-N 0 1 393.285 3.434 20 0 GGADMN COC(=O)[C@H]1CC12CCN([C@@H](C)C(=O)Nc1cccc(Br)c1)CC2 ZINC000609617294 566777161 /nfs/dbraw/zinc/77/71/61/566777161.db2.gz BWNZXKJWLGMYJZ-SWLSCSKDSA-N 0 1 395.297 3.051 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000581429347 566777227 /nfs/dbraw/zinc/77/72/27/566777227.db2.gz IKKXCSBZUPDEOG-INIZCTEOSA-N 0 1 387.307 3.431 20 0 GGADMN Cc1csc(C(C)(C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)n1 ZINC000451210914 566777345 /nfs/dbraw/zinc/77/73/45/566777345.db2.gz UQOSBBXUCZCVBF-UHFFFAOYSA-N 0 1 380.413 3.390 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)c(C)nc2OC)n[nH]1 ZINC000489269090 566778243 /nfs/dbraw/zinc/77/82/43/566778243.db2.gz OKGBCGZYQDNBSE-WCBMZHEXSA-N 0 1 396.289 3.284 20 0 GGADMN COCCc1ncc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000631079688 566778182 /nfs/dbraw/zinc/77/81/82/566778182.db2.gz JYQIJKSFKLMOER-HNNXBMFYSA-N 0 1 379.913 3.271 20 0 GGADMN CN(Cc1ccc(Br)c(F)c1)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000427556784 566778424 /nfs/dbraw/zinc/77/84/24/566778424.db2.gz QRXMRKYEPZIBFM-UHFFFAOYSA-N 0 1 384.274 3.313 20 0 GGADMN O=C(CCc1ccccc1)N1CC[C@@H](NCc2ccncc2Br)C1 ZINC000631088685 566778392 /nfs/dbraw/zinc/77/83/92/566778392.db2.gz QDDQYTCBDOHVAR-QGZVFWFLSA-N 0 1 388.309 3.167 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)c(C)nc2OC)n[nH]1 ZINC000489269089 566778687 /nfs/dbraw/zinc/77/86/87/566778687.db2.gz OKGBCGZYQDNBSE-SCZZXKLOSA-N 0 1 396.289 3.284 20 0 GGADMN CN(C[C@@H]1COc2ccccc2O1)[C@@H](CO)c1cccc(Br)c1 ZINC000678047967 566778788 /nfs/dbraw/zinc/77/87/88/566778788.db2.gz QRXPZTPGHDECLE-CVEARBPZSA-N 0 1 378.266 3.254 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)CN(C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000581445460 566778868 /nfs/dbraw/zinc/77/88/68/566778868.db2.gz BOEXFMNLCYETKJ-QZTJIDSGSA-N 0 1 383.989 3.276 20 0 GGADMN CCOc1ccncc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000451212849 566778827 /nfs/dbraw/zinc/77/88/27/566778827.db2.gz QKDJWIKLNPHODK-AWEZNQCLSA-N 0 1 378.347 3.201 20 0 GGADMN COCCc1ncc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)s1 ZINC000631105041 566779324 /nfs/dbraw/zinc/77/93/24/566779324.db2.gz ROHCCSBDEXYNOF-NSHDSACASA-N 0 1 383.876 3.020 20 0 GGADMN CC(C)N(CC(=O)N1CCN(Cc2cccs2)CC1)Cc1cccs1 ZINC000516744998 566779807 /nfs/dbraw/zinc/77/98/07/566779807.db2.gz KMDGIQZSDADTDT-UHFFFAOYSA-N 0 1 377.579 3.364 20 0 GGADMN O=C(NC1CC1)c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000678079650 566780354 /nfs/dbraw/zinc/78/03/54/566780354.db2.gz VGBMNPIJNUHFSR-SFHVURJKSA-N 0 1 389.293 3.165 20 0 GGADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCOc2ccccc2Br)C1 ZINC000451228468 566780217 /nfs/dbraw/zinc/78/02/17/566780217.db2.gz OEHSRFCTONVIBL-LSDHHAIUSA-N 0 1 389.293 3.109 20 0 GGADMN CS[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000451322536 566796121 /nfs/dbraw/zinc/79/61/21/566796121.db2.gz RHKWFBUGZFNVLN-ZWNOBZJWSA-N 0 1 390.290 3.056 20 0 GGADMN CSc1cc(Br)ccc1C(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000655140547 566780979 /nfs/dbraw/zinc/78/09/79/566780979.db2.gz NBXXATFIBRUQAZ-UHFFFAOYSA-N 0 1 397.298 3.369 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)CCN1C ZINC000489320009 566780994 /nfs/dbraw/zinc/78/09/94/566780994.db2.gz KGEWRONQMPINIS-HNNXBMFYSA-N 0 1 379.551 3.435 20 0 GGADMN CCCOc1ccc(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)c(C)c1 ZINC000631121684 566781296 /nfs/dbraw/zinc/78/12/96/566781296.db2.gz TVBSVQHHBOYCOP-UHFFFAOYSA-N 0 1 382.913 3.374 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(OC)cc1Br)CC2 ZINC000516755854 566781412 /nfs/dbraw/zinc/78/14/12/566781412.db2.gz SQEFDNMABJOGIQ-IRXDYDNUSA-N 0 1 384.314 3.210 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N(CCO)Cc1cccc(F)c1 ZINC000427585944 566781489 /nfs/dbraw/zinc/78/14/89/566781489.db2.gz IIFGGFJRUZQKCI-UHFFFAOYSA-N 0 1 392.228 3.099 20 0 GGADMN CCc1n[nH]c(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1Br ZINC000469323930 566781747 /nfs/dbraw/zinc/78/17/47/566781747.db2.gz PTZRPNXMUJGEIP-UHFFFAOYSA-N 0 1 383.334 3.071 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(OC)cc1Br)CC2 ZINC000516755855 566782401 /nfs/dbraw/zinc/78/24/01/566782401.db2.gz SQEFDNMABJOGIQ-SJORKVTESA-N 0 1 384.314 3.210 20 0 GGADMN CSc1cc(Br)ccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000678124677 566782905 /nfs/dbraw/zinc/78/29/05/566782905.db2.gz LJWFYBPQKATYCB-INIZCTEOSA-N 0 1 385.371 3.468 20 0 GGADMN Cc1ccc(I)c(C(=O)N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000489350079 566783808 /nfs/dbraw/zinc/78/38/08/566783808.db2.gz MPNJEARELNTBEB-OAHLLOKOSA-N 0 1 386.277 3.012 20 0 GGADMN CCOc1cc(CN(CC(N)=O)C2CCCC2)cc(Br)c1OC ZINC000678135831 566784118 /nfs/dbraw/zinc/78/41/18/566784118.db2.gz HLXOJMJFOVXNNT-UHFFFAOYSA-N 0 1 385.302 3.086 20 0 GGADMN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2ccncc2Br)C1 ZINC000631128844 566784224 /nfs/dbraw/zinc/78/42/24/566784224.db2.gz DYEUUGCSBLBNNT-QGZVFWFLSA-N 0 1 388.309 3.167 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)cn1)c1cccc(OC(F)(F)F)c1 ZINC000427632181 566784236 /nfs/dbraw/zinc/78/42/36/566784236.db2.gz BXVKOZDKNLWLMP-UHFFFAOYSA-N 0 1 384.282 3.382 20 0 GGADMN COCC[C@]1(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCOC1 ZINC000581528085 566784466 /nfs/dbraw/zinc/78/44/66/566784466.db2.gz BWVNPSZQTXBSKT-HNNXBMFYSA-N 0 1 380.794 3.083 20 0 GGADMN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccncc2Br)C1 ZINC000631129265 566784327 /nfs/dbraw/zinc/78/43/27/566784327.db2.gz LFJZRWYZPJVKKS-HNNXBMFYSA-N 0 1 375.270 3.240 20 0 GGADMN Brc1cncc(Br)c1CN[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000581757889 566804948 /nfs/dbraw/zinc/80/49/48/566804948.db2.gz HBSRIEADUVPRNZ-WQHBLYJGSA-N 0 1 376.092 3.264 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)cn1)c1ccc(Br)cc1 ZINC000427640859 566785194 /nfs/dbraw/zinc/78/51/94/566785194.db2.gz CMBQAZMFDXIPIH-UHFFFAOYSA-N 0 1 379.182 3.246 20 0 GGADMN CC(C)c1nc(C[S@](=O)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)n[nH]1 ZINC000562371482 566785146 /nfs/dbraw/zinc/78/51/46/566785146.db2.gz POOPKCXTMWJISQ-RUZDIDTESA-N 0 1 399.307 3.265 20 0 GGADMN O[C@H](COc1ccc(Br)cc1)CN1CC(COc2ccccc2)C1 ZINC000489382931 566785323 /nfs/dbraw/zinc/78/53/23/566785323.db2.gz FDENPGPDMWKFDK-KRWDZBQOSA-N 0 1 392.293 3.200 20 0 GGADMN CSc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000516819390 566785698 /nfs/dbraw/zinc/78/56/98/566785698.db2.gz LIEZDXQKRBUJQI-UHFFFAOYSA-N 0 1 390.983 3.500 20 0 GGADMN COc1ccc([C@H](C)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Br ZINC000542235749 566785758 /nfs/dbraw/zinc/78/57/58/566785758.db2.gz LYDPSVQRZVJMNV-MEDUHNTESA-N 0 1 395.272 3.344 20 0 GGADMN O=C1[C@H](N2CCCC3(CCOCC3)C2)CCN1c1cccc(Br)c1 ZINC000489413200 566786685 /nfs/dbraw/zinc/78/66/85/566786685.db2.gz ZCGGSRHGJHLQKR-QGZVFWFLSA-N 0 1 393.325 3.447 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000489419291 566787288 /nfs/dbraw/zinc/78/72/88/566787288.db2.gz BSXBTIOHSUZNNE-QGZVFWFLSA-N 0 1 395.272 3.386 20 0 GGADMN Cc1sc(Br)c(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1C ZINC000655229034 566787261 /nfs/dbraw/zinc/78/72/61/566787261.db2.gz BLFSJILVMSLUFC-SECBINFHSA-N 0 1 385.287 3.027 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000542252098 566788124 /nfs/dbraw/zinc/78/81/24/566788124.db2.gz GLTJJJGSHKYXGT-YOLKCXPHSA-N 0 1 376.806 3.389 20 0 GGADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1csc(-c2ccc(Cl)s2)n1 ZINC000655235160 566788484 /nfs/dbraw/zinc/78/84/84/566788484.db2.gz FZRAEPUUVYUNBA-SECBINFHSA-N 0 1 395.897 3.425 20 0 GGADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000655230460 566789076 /nfs/dbraw/zinc/78/90/76/566789076.db2.gz ADTYKZAGZBBSGE-WDMOLILDSA-N 0 1 381.263 3.383 20 0 GGADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(Cl)cc(Br)c1 ZINC000655231885 566789105 /nfs/dbraw/zinc/78/91/05/566789105.db2.gz NKJGMAHGLWVZPE-LLVKDONJSA-N 0 1 385.649 3.002 20 0 GGADMN Cc1nc(-c2cccs2)sc1C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655237789 566789128 /nfs/dbraw/zinc/78/91/28/566789128.db2.gz NUTYTIFRIVQKRD-JTQLQIEISA-N 0 1 375.479 3.080 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655234459 566789159 /nfs/dbraw/zinc/78/91/59/566789159.db2.gz QJYCNQRVSSLVGN-YGRLFVJLSA-N 0 1 383.279 3.458 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655235977 566789201 /nfs/dbraw/zinc/78/92/01/566789201.db2.gz ABDACSNTJYTGOJ-JOYOIKCWSA-N 0 1 385.251 3.047 20 0 GGADMN CC(C)(C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(Br)cc1 ZINC000655237258 566789284 /nfs/dbraw/zinc/78/92/84/566789284.db2.gz LEJIQIRZYXPRQV-ZDUSSCGKSA-N 0 1 393.285 3.013 20 0 GGADMN O=C(CCCc1ccc(Br)s1)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655237910 566789295 /nfs/dbraw/zinc/78/92/95/566789295.db2.gz PFVHPAZOBMZWIT-NSHDSACASA-N 0 1 399.314 3.119 20 0 GGADMN O=C(CCCSc1ccc(Cl)cc1)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655234831 566789358 /nfs/dbraw/zinc/78/93/58/566789358.db2.gz AAFQZOBAYXJFMJ-CQSZACIVSA-N 0 1 380.901 3.498 20 0 GGADMN O=C(CSc1cc(Cl)ccc1Cl)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655238354 566789384 /nfs/dbraw/zinc/78/93/84/566789384.db2.gz ADKWAPHGAVOJJZ-LLVKDONJSA-N 0 1 387.292 3.372 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1cnn(-c2ccccc2Br)c1 ZINC000562410786 566789953 /nfs/dbraw/zinc/78/99/53/566789953.db2.gz SXHKZQVKKNVMBJ-UHFFFAOYSA-N 0 1 390.285 3.018 20 0 GGADMN C[C@H]1COC(C)(C)CN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000489471179 566790457 /nfs/dbraw/zinc/79/04/57/566790457.db2.gz GNUIZYCCRUIMOA-NSHDSACASA-N 0 1 378.270 3.479 20 0 GGADMN CCOc1cc(CNC[C@@H](n2cncn2)C(F)(F)F)cc(Cl)c1OC ZINC000631213667 566790659 /nfs/dbraw/zinc/79/06/59/566790659.db2.gz QUGIMKQQAUCLST-CYBMUJFWSA-N 0 1 378.782 3.232 20 0 GGADMN Cc1cnc(OC2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)nc1 ZINC000655257160 566790665 /nfs/dbraw/zinc/79/06/65/566790665.db2.gz YFVVPHPHYYUSTP-UHFFFAOYSA-N 0 1 382.247 3.481 20 0 GGADMN O=C(Nc1cccc(CN[C@H]2COC[C@H]2O)c1)c1ccc(Cl)cc1Cl ZINC000631201632 566790929 /nfs/dbraw/zinc/79/09/29/566790929.db2.gz YIZOFBAATQUKOM-DLBZAZTESA-N 0 1 381.259 3.095 20 0 GGADMN O=C(NCCc1ccc(Br)cc1Cl)NCc1n[nH]c(C2CC2)n1 ZINC000516912189 566791392 /nfs/dbraw/zinc/79/13/92/566791392.db2.gz DHZCUTVPUJMYIW-UHFFFAOYSA-N 0 1 398.692 3.140 20 0 GGADMN COc1sc(CNC[C@H](n2cncn2)C(F)(F)F)cc1Br ZINC000631210143 566791786 /nfs/dbraw/zinc/79/17/86/566791786.db2.gz JDLPMHMWNGHBHA-VIFPVBQESA-N 0 1 385.209 3.004 20 0 GGADMN CCCOc1ccc(Br)cc1CN1CCN(C(C)(C)CO)CC1 ZINC000678269198 566791829 /nfs/dbraw/zinc/79/18/29/566791829.db2.gz OVBWKYJKDUCLIA-UHFFFAOYSA-N 0 1 385.346 3.126 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)n[nH]1 ZINC000562436403 566792141 /nfs/dbraw/zinc/79/21/41/566792141.db2.gz WSJKMBMBCIPNFK-VIFPVBQESA-N 0 1 379.251 3.351 20 0 GGADMN O[C@@H](COc1cccc(Br)c1)CN1CC(COc2ccccc2)C1 ZINC000489488886 566792136 /nfs/dbraw/zinc/79/21/36/566792136.db2.gz ZJVAOYQYKNXJAY-QGZVFWFLSA-N 0 1 392.293 3.200 20 0 GGADMN CCC(C)(C)N1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000655271104 566792450 /nfs/dbraw/zinc/79/24/50/566792450.db2.gz UAYWONUGAISTDF-UHFFFAOYSA-N 0 1 380.330 3.209 20 0 GGADMN CCC(C)(C)N1CCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000655271129 566792519 /nfs/dbraw/zinc/79/25/19/566792519.db2.gz UQBARNFLEHZUON-UHFFFAOYSA-N 0 1 393.329 3.352 20 0 GGADMN COc1cc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc(Br)c1O ZINC000581607886 566792634 /nfs/dbraw/zinc/79/26/34/566792634.db2.gz ARRDVXWOTZITSV-SSDOTTSWSA-N 0 1 387.255 3.169 20 0 GGADMN CO[C@@H](C)c1nc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cs1 ZINC000451304904 566793435 /nfs/dbraw/zinc/79/34/35/566793435.db2.gz PKDUFSUDPQQQEE-QMMMGPOBSA-N 0 1 396.412 3.053 20 0 GGADMN C[C@@](N)(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000516928002 566793529 /nfs/dbraw/zinc/79/35/29/566793529.db2.gz BFXHARSIZPADJZ-JZXOWHBKSA-N 0 1 377.257 3.434 20 0 GGADMN Cc1c(Br)cncc1CNCc1ccnc(N2CCSCC2)c1 ZINC000631240823 566793784 /nfs/dbraw/zinc/79/37/84/566793784.db2.gz IPGKEKOIYSMRJY-UHFFFAOYSA-N 0 1 393.354 3.391 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000516928003 566793804 /nfs/dbraw/zinc/79/38/04/566793804.db2.gz BFXHARSIZPADJZ-LZLYRXPVSA-N 0 1 377.257 3.434 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@H](C(=O)[O-])C1 ZINC000516939065 566793843 /nfs/dbraw/zinc/79/38/43/566793843.db2.gz KQYIBMOEUQVODL-LSDHHAIUSA-N 0 1 379.254 3.061 20 0 GGADMN O=C([O-])CC[N@@H+](CCn1cc(Cl)cn1)Cc1cccc(Br)c1 ZINC000516933205 566794003 /nfs/dbraw/zinc/79/40/03/566794003.db2.gz VXBTXLCNSRXWMI-UHFFFAOYSA-N 0 1 386.677 3.276 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000516937370 566794047 /nfs/dbraw/zinc/79/40/47/566794047.db2.gz CYGAVXDGVRMHNL-XQQFMLRXSA-N 0 1 386.323 3.053 20 0 GGADMN CSc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CN(C)C)cc1 ZINC000427755349 566794630 /nfs/dbraw/zinc/79/46/30/566794630.db2.gz FUQSLCSCDNWVLU-INIZCTEOSA-N 0 1 376.547 3.480 20 0 GGADMN CS[C@H]1CCN([C@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000451323689 566795853 /nfs/dbraw/zinc/79/58/53/566795853.db2.gz JEILGLMJDWWTIZ-MFKMUULPSA-N 0 1 390.290 3.056 20 0 GGADMN Fc1cc(Br)cc(CN2CCC[C@H](CN3CCOCC3)C2)c1F ZINC000516974171 566796305 /nfs/dbraw/zinc/79/63/05/566796305.db2.gz SSMDTCODMUZGFO-CYBMUJFWSA-N 0 1 389.284 3.272 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000581657829 566796440 /nfs/dbraw/zinc/79/64/40/566796440.db2.gz QKMWGDFMAPYGMI-NSHDSACASA-N 0 1 381.325 3.107 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(Br)c(C)c1F ZINC000562508764 566796781 /nfs/dbraw/zinc/79/67/81/566796781.db2.gz ZNGDCEZBXGDDGR-UHFFFAOYSA-N 0 1 384.205 3.357 20 0 GGADMN CSc1cccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CN(C)C)c1 ZINC000427786050 566797500 /nfs/dbraw/zinc/79/75/00/566797500.db2.gz QTASDWFALLWZNA-INIZCTEOSA-N 0 1 376.547 3.480 20 0 GGADMN CSc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000655397835 566798373 /nfs/dbraw/zinc/79/83/73/566798373.db2.gz GHOLOGZZFLJWCR-SECBINFHSA-N 0 1 398.282 3.279 20 0 GGADMN O=C(CCc1c[nH]nn1)NCCCCSc1ccccc1Br ZINC000631323456 566798610 /nfs/dbraw/zinc/79/86/10/566798610.db2.gz IQHXTTCUPNQNOQ-UHFFFAOYSA-N 0 1 383.315 3.189 20 0 GGADMN O=C(CCc1cnn[nH]1)NCCCCSc1ccccc1Br ZINC000631323456 566798616 /nfs/dbraw/zinc/79/86/16/566798616.db2.gz IQHXTTCUPNQNOQ-UHFFFAOYSA-N 0 1 383.315 3.189 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000516993177 566798705 /nfs/dbraw/zinc/79/87/05/566798705.db2.gz PUKODNYSEJYVLI-CQSZACIVSA-N 0 1 384.904 3.419 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCC[C@@H]2COC[C@@H]21 ZINC000655403779 566798922 /nfs/dbraw/zinc/79/89/22/566798922.db2.gz IFZAICRIGSQVCH-OLZOCXBDSA-N 0 1 376.254 3.090 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000489625495 566799091 /nfs/dbraw/zinc/79/90/91/566799091.db2.gz ZSNJCPMBTMVGPY-ZIAGYGMSSA-N 0 1 386.323 3.418 20 0 GGADMN CC(C)N1CCO[C@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000469562115 566799076 /nfs/dbraw/zinc/79/90/76/566799076.db2.gz MMAUHPRHCXELLQ-KRWDZBQOSA-N 0 1 395.341 3.096 20 0 GGADMN CC(C)N1CCO[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000469562116 566799106 /nfs/dbraw/zinc/79/91/06/566799106.db2.gz MMAUHPRHCXELLQ-QGZVFWFLSA-N 0 1 395.341 3.096 20 0 GGADMN CC(=O)N(c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1)[C@@H]1C[C@@H]1C ZINC000562541682 566799975 /nfs/dbraw/zinc/79/99/75/566799975.db2.gz IMNUGHGLINURSC-APPDUMDISA-N 0 1 379.869 3.297 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000427802405 566800016 /nfs/dbraw/zinc/80/00/16/566800016.db2.gz KFBCZVZTMKAKRQ-RDJZCZTQSA-N 0 1 378.925 3.311 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000542460439 566801493 /nfs/dbraw/zinc/80/14/93/566801493.db2.gz ZRQCWSXHYWPUOK-QGZVFWFLSA-N 0 1 378.314 3.464 20 0 GGADMN CN(CC(=O)N[C@H]1CSc2ccc(Br)cc21)[C@H]1CCSC1 ZINC000489665174 566801931 /nfs/dbraw/zinc/80/19/31/566801931.db2.gz IFCPRFYJUTYUAX-AAEUAGOBSA-N 0 1 387.368 3.149 20 0 GGADMN CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451357395 566802175 /nfs/dbraw/zinc/80/21/75/566802175.db2.gz GRHHUPBFOSDFAD-BXUZGUMPSA-N 0 1 381.416 3.283 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000542457580 566802486 /nfs/dbraw/zinc/80/24/86/566802486.db2.gz QFIRGWDPLJLBMZ-MRXNPFEDSA-N 0 1 383.330 3.381 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000517040425 566802748 /nfs/dbraw/zinc/80/27/48/566802748.db2.gz QHFFPYQYEDPHGR-XPTSAGLGSA-N 0 1 375.778 3.110 20 0 GGADMN C[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC2(CCC2)O1 ZINC000581723252 566802754 /nfs/dbraw/zinc/80/27/54/566802754.db2.gz TVXPIUHGHOWWTM-NSHDSACASA-N 0 1 393.285 3.178 20 0 GGADMN C[C@H](Cn1cc(Br)cn1)NCc1nc2cc(Cl)ccc2n1C ZINC000427883222 566802955 /nfs/dbraw/zinc/80/29/55/566802955.db2.gz QAVJZOPZNQZYEP-SNVBAGLBSA-N 0 1 382.693 3.364 20 0 GGADMN COc1cccc(OC)c1CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000517044279 566803178 /nfs/dbraw/zinc/80/31/78/566803178.db2.gz SUUNRPKZVAGPCT-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN C[C@@H](CS(=O)(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000427854995 566803158 /nfs/dbraw/zinc/80/31/58/566803158.db2.gz RTRWFTRRFLYGAA-KRWDZBQOSA-N 0 1 382.595 3.071 20 0 GGADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000427844944 566803300 /nfs/dbraw/zinc/80/33/00/566803300.db2.gz YFSIHPYFWOOFKZ-MRXNPFEDSA-N 0 1 377.337 3.383 20 0 GGADMN Cc1c([C@H](C)N[C@H]2C[C@@H](O)C2(C)C)nnn1-c1cccc(Br)c1 ZINC000427848310 566803386 /nfs/dbraw/zinc/80/33/86/566803386.db2.gz LLNWFKBZTKUUKG-NZVBXONLSA-N 0 1 379.302 3.148 20 0 GGADMN CN(C)[C@@H](CNc1ncnc2cc(F)c(Br)cc21)c1ccco1 ZINC000542469475 566803963 /nfs/dbraw/zinc/80/39/63/566803963.db2.gz JXSKRMVCUQTXJD-AWEZNQCLSA-N 0 1 379.233 3.261 20 0 GGADMN Clc1ccc([C@H](CNCc2nc3c(s2)CCC3)N2CCOCC2)cc1 ZINC000678499968 566804283 /nfs/dbraw/zinc/80/42/83/566804283.db2.gz YETWHQBWAUCFAE-KRWDZBQOSA-N 0 1 377.941 3.448 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)[C@](C)(N)c1ccc(Br)cc1)C2 ZINC000655502705 566804374 /nfs/dbraw/zinc/80/43/74/566804374.db2.gz URFDLUSZWFMQHE-GOSISDBHSA-N 0 1 375.266 3.174 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC(Oc2ncccc2F)CC1 ZINC000562579086 566804483 /nfs/dbraw/zinc/80/44/83/566804483.db2.gz CHPTVFQXEUUOIY-UHFFFAOYSA-N 0 1 395.228 3.372 20 0 GGADMN C[C@](N)(C(=O)N1CCC[C@@H](OC2CCC2)C1)c1ccc(Br)cc1 ZINC000655494420 566805367 /nfs/dbraw/zinc/80/53/67/566805367.db2.gz BJLZPVUWNJZWIT-SJLPKXTDSA-N 0 1 381.314 3.183 20 0 GGADMN Cc1c([C@H](C)NC[C@@H]2CCCCS2(=O)=O)cnn1-c1cccc(Cl)c1 ZINC000542497982 566805511 /nfs/dbraw/zinc/80/55/11/566805511.db2.gz DPHNNFSBMRTGBM-GUYCJALGSA-N 0 1 381.929 3.452 20 0 GGADMN Cc1cc(Br)cc(C)c1CNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000581770970 566805554 /nfs/dbraw/zinc/80/55/54/566805554.db2.gz UXIFHBWPLHSVOD-UHFFFAOYSA-N 0 1 378.274 3.061 20 0 GGADMN Brc1cncc(Br)c1CN[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000581757888 566805936 /nfs/dbraw/zinc/80/59/36/566805936.db2.gz HBSRIEADUVPRNZ-CKLFPEKLSA-N 0 1 376.092 3.264 20 0 GGADMN CC1(C)C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C(C)(C)O1 ZINC000678581149 566805965 /nfs/dbraw/zinc/80/59/65/566805965.db2.gz UFWOQMSJTUCVRL-OAHLLOKOSA-N 0 1 379.302 3.466 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@@H](CO)SC)c1ccccc1Cl ZINC000610099627 566806102 /nfs/dbraw/zinc/80/61/02/566806102.db2.gz ASRZXTWJLPPUIU-KBRIMQKVSA-N 0 1 387.977 3.135 20 0 GGADMN COc1ccc(Br)cc1CN[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000678581073 566806171 /nfs/dbraw/zinc/80/61/71/566806171.db2.gz QEMZAXNFHNOSLY-LBPRGKRZSA-N 0 1 388.269 3.284 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@H](CO)SC)c1ccccc1Cl ZINC000610099629 566806181 /nfs/dbraw/zinc/80/61/81/566806181.db2.gz ASRZXTWJLPPUIU-XYPHTWIQSA-N 0 1 387.977 3.135 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000562599894 566806439 /nfs/dbraw/zinc/80/64/39/566806439.db2.gz MYSJDQAPLGUODN-UHFFFAOYSA-N 0 1 393.285 3.067 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000489732894 566806718 /nfs/dbraw/zinc/80/67/18/566806718.db2.gz IOFHFJKTROPOCX-CQSZACIVSA-N 0 1 382.913 3.147 20 0 GGADMN Cc1c([C@@H](C)N[C@H](CO)CC2CC2)nnn1-c1cccc(Br)c1 ZINC000678607464 566806881 /nfs/dbraw/zinc/80/68/81/566806881.db2.gz KGCXHTQIBPMZQC-ABAIWWIYSA-N 0 1 379.302 3.150 20 0 GGADMN Cc1c([C@H](C)N[C@@H](CO)CC2CC2)nnn1-c1cccc(Br)c1 ZINC000678607467 566806896 /nfs/dbraw/zinc/80/68/96/566806896.db2.gz KGCXHTQIBPMZQC-XHDPSFHLSA-N 0 1 379.302 3.150 20 0 GGADMN O=C1CC[C@H](NCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 ZINC000542498643 566806959 /nfs/dbraw/zinc/80/69/59/566806959.db2.gz VBTQMUIURVSSMF-INIZCTEOSA-N 0 1 378.881 3.177 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000562615758 566807173 /nfs/dbraw/zinc/80/71/73/566807173.db2.gz QTCMCIXJVVNKCD-VAGZCVSGSA-N 0 1 390.307 3.001 20 0 GGADMN COc1ccc([C@@H](C)NC[C@@H]2CCCCS2(=O)=O)cc1Br ZINC000542498613 566807379 /nfs/dbraw/zinc/80/73/79/566807379.db2.gz IYDHPDUGSYYTOR-YPMHNXCESA-N 0 1 376.316 3.076 20 0 GGADMN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000517134146 566807537 /nfs/dbraw/zinc/80/75/37/566807537.db2.gz XQEWDZLBXRIBCH-UHIISALHSA-N 0 1 380.279 3.414 20 0 GGADMN Cc1nn(C)c(CNCCOc2cccc(C(F)(F)F)n2)c1Br ZINC000562616480 566807727 /nfs/dbraw/zinc/80/77/27/566807727.db2.gz PMAXXCXSWAKTQZ-UHFFFAOYSA-N 0 1 393.207 3.073 20 0 GGADMN C[C@@H]1OCC[C@]12CN(C[C@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](C)O2 ZINC000562615757 566808081 /nfs/dbraw/zinc/80/80/81/566808081.db2.gz QTCMCIXJVVNKCD-SDCOAXJVSA-N 0 1 390.307 3.001 20 0 GGADMN C[C@H](C(=O)NC(=O)NC1CC1)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469732478 566809320 /nfs/dbraw/zinc/80/93/20/566809320.db2.gz BYECZKNTLTWUMH-WDEREUQCSA-N 0 1 388.295 3.069 20 0 GGADMN Cc1csc([C@@H](C)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)n1 ZINC000451390917 566809536 /nfs/dbraw/zinc/80/95/36/566809536.db2.gz BIEVMPVZVFRGDX-QMMMGPOBSA-N 0 1 380.413 3.258 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCSC[C@H]1C(=O)[O-] ZINC000517176582 566809857 /nfs/dbraw/zinc/80/98/57/566809857.db2.gz CWGQHICWVNTYIB-KRWDZBQOSA-N 0 1 379.913 3.204 20 0 GGADMN COCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1ccco1 ZINC000451385996 566809994 /nfs/dbraw/zinc/80/99/94/566809994.db2.gz UVOZSUSWUDUPNH-NSHDSACASA-N 0 1 379.356 3.060 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000517187318 566810045 /nfs/dbraw/zinc/81/00/45/566810045.db2.gz BEFHYVHXEYNTSH-UHFFFAOYSA-N 0 1 377.857 3.273 20 0 GGADMN COC(=O)C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000542534125 566810330 /nfs/dbraw/zinc/81/03/30/566810330.db2.gz YAIITXFWGMGWAA-DOTOQJQBSA-N 0 1 397.313 3.077 20 0 GGADMN COC(=O)C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000542531523 566810569 /nfs/dbraw/zinc/81/05/69/566810569.db2.gz DJFBCSYCGCTZDT-WBVHZDCISA-N 0 1 397.313 3.077 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000562678905 566811458 /nfs/dbraw/zinc/81/14/58/566811458.db2.gz CXJUDUVGULZSTL-UHFFFAOYSA-N 0 1 392.301 3.353 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1Cl ZINC000655546743 566812162 /nfs/dbraw/zinc/81/21/62/566812162.db2.gz LYTHOCYKQCBLHN-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN CC[C@H](N[C@@H](CCSC)C(=O)NC)c1cc(F)cc(Br)c1 ZINC000489829421 566812308 /nfs/dbraw/zinc/81/23/08/566812308.db2.gz ZFMBPNUVENQLLL-KBPBESRZSA-N 0 1 377.323 3.497 20 0 GGADMN CNC(=O)[C@H](CCSC)N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000489830611 566812558 /nfs/dbraw/zinc/81/25/58/566812558.db2.gz YJQIAMBSXIHJHO-PXAZEXFGSA-N 0 1 380.945 3.352 20 0 GGADMN C[C@H]1OCC[C@]12CN(C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H](C)O2 ZINC000517215528 566812751 /nfs/dbraw/zinc/81/27/51/566812751.db2.gz CJVUITZIVIDRHG-ONUSSAAZSA-N 0 1 390.307 3.001 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@H](C)CN3CCCCC3)cc2)n1 ZINC000655559119 566813087 /nfs/dbraw/zinc/81/30/87/566813087.db2.gz NBOCYJQTDIYJBF-CQSZACIVSA-N 0 1 379.551 3.271 20 0 GGADMN COc1cccc(O[C@H](C)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000581901834 566813247 /nfs/dbraw/zinc/81/32/47/566813247.db2.gz PGCWHHXNTDMLCC-SNVBAGLBSA-N 0 1 391.823 3.373 20 0 GGADMN CCCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)CC)cc1 ZINC000678720085 566813326 /nfs/dbraw/zinc/81/33/26/566813326.db2.gz ONOURCRUKWTZTL-UHFFFAOYSA-N 0 1 383.491 3.070 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@@H](C)CN3CCCCC3)cc2)n1 ZINC000655559118 566813423 /nfs/dbraw/zinc/81/34/23/566813423.db2.gz NBOCYJQTDIYJBF-AWEZNQCLSA-N 0 1 379.551 3.271 20 0 GGADMN CC(C)(NCCOc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000451411168 566813534 /nfs/dbraw/zinc/81/35/34/566813534.db2.gz LFRRKUMFPZKTDM-UHFFFAOYSA-N 0 1 379.302 3.281 20 0 GGADMN COC(=O)c1ccc(CNCCOc2ccc(Cl)cn2)c(Br)c1 ZINC000517242039 566814106 /nfs/dbraw/zinc/81/41/06/566814106.db2.gz BCPDUSOUHPTEQM-UHFFFAOYSA-N 0 1 399.672 3.453 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnc3ccccc3c2)c1 ZINC000610191978 566814217 /nfs/dbraw/zinc/81/42/17/566814217.db2.gz PRSXDBWXXIPHJD-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN CSCC[C@H](N[C@H](C)c1ccc(Br)cc1F)C(=O)N(C)C ZINC000489860878 566814305 /nfs/dbraw/zinc/81/43/05/566814305.db2.gz RINWFCDMFIXKRY-YGRLFVJLSA-N 0 1 377.323 3.449 20 0 GGADMN CCc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)CC)cc1CC ZINC000678720534 566814369 /nfs/dbraw/zinc/81/43/69/566814369.db2.gz UBDHGGZZZFDHRO-UHFFFAOYSA-N 0 1 381.519 3.406 20 0 GGADMN OCC[C@@H](NCCOCC(F)(F)C(F)F)c1ccccc1Br ZINC000469793896 566814598 /nfs/dbraw/zinc/81/45/98/566814598.db2.gz KGLOJTVCYQNJIO-GFCCVEGCSA-N 0 1 388.199 3.379 20 0 GGADMN Cc1n[nH]c([C@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000562704944 566814705 /nfs/dbraw/zinc/81/47/05/566814705.db2.gz ODCYXPRIFBSQDN-MFKMUULPSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1nnc([C@H]2CCN(CC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000562704944 566814707 /nfs/dbraw/zinc/81/47/07/566814707.db2.gz ODCYXPRIFBSQDN-MFKMUULPSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000542646976 566814850 /nfs/dbraw/zinc/81/48/50/566814850.db2.gz WBYCCTBMUUNPQH-RYUDHWBXSA-N 0 1 387.265 3.156 20 0 GGADMN Cc1n[nH]c([C@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000562704942 566814928 /nfs/dbraw/zinc/81/49/28/566814928.db2.gz ODCYXPRIFBSQDN-GWCFXTLKSA-N 0 1 382.295 3.087 20 0 GGADMN Cc1nnc([C@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000562704942 566814931 /nfs/dbraw/zinc/81/49/31/566814931.db2.gz ODCYXPRIFBSQDN-GWCFXTLKSA-N 0 1 382.295 3.087 20 0 GGADMN Fc1ccc([C@H](NCCOc2ccc(Br)cc2)c2nnc[nH]2)cc1 ZINC000581934524 566815191 /nfs/dbraw/zinc/81/51/91/566815191.db2.gz VVJHDCJGDIVZSM-INIZCTEOSA-N 0 1 391.244 3.464 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000542646975 566815327 /nfs/dbraw/zinc/81/53/27/566815327.db2.gz WBYCCTBMUUNPQH-NWDGAFQWSA-N 0 1 387.265 3.156 20 0 GGADMN CC(=O)[C@@H]1C[C@H](C(=O)NCc2nc3cccc(Br)c3[nH]2)C1(C)C ZINC000581928494 566815484 /nfs/dbraw/zinc/81/54/84/566815484.db2.gz UCSSDQZKWNTWEV-WDEREUQCSA-N 0 1 378.270 3.193 20 0 GGADMN COC(=O)c1cccc(Br)c1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451415721 566815500 /nfs/dbraw/zinc/81/55/00/566815500.db2.gz FXWQWAKBZJXNCG-KBRIMQKVSA-N 0 1 382.298 3.361 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Br)cc1F ZINC000451414331 566815584 /nfs/dbraw/zinc/81/55/84/566815584.db2.gz ICZMAGCUOASDTL-APHBMKBZSA-N 0 1 385.277 3.152 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CNC1(C(=O)N(C)C)CCCCC1 ZINC000451413808 566815944 /nfs/dbraw/zinc/81/59/44/566815944.db2.gz RJKOSTQDMHCIQJ-UHFFFAOYSA-N 0 1 396.329 3.077 20 0 GGADMN FC(F)(F)[C@@H](CN[C@H]1CCc2ccc(Br)cc21)n1cncn1 ZINC000631689710 566816046 /nfs/dbraw/zinc/81/60/46/566816046.db2.gz DGQSGYKEJMDWQH-QWHCGFSZSA-N 0 1 375.192 3.421 20 0 GGADMN FC(F)(F)[C@@H](CN[C@@H]1CCc2ccc(Br)cc21)n1cncn1 ZINC000631689708 566816183 /nfs/dbraw/zinc/81/61/83/566816183.db2.gz DGQSGYKEJMDWQH-CHWSQXEVSA-N 0 1 375.192 3.421 20 0 GGADMN Cc1cccc(NC(=O)C[C@@H](C)NCc2c(Br)cnn2C)c1C ZINC000631685680 566816825 /nfs/dbraw/zinc/81/68/25/566816825.db2.gz XZJLOUZMWSZWSL-GFCCVEGCSA-N 0 1 379.302 3.306 20 0 GGADMN CC1(C)CN(C[C@H](O)COc2ccc(Br)cc2)[C@@H]1[C@H]1CCCO1 ZINC000581948765 566816941 /nfs/dbraw/zinc/81/69/41/566816941.db2.gz AOOJCVKGFVDGFX-USXIJHARSA-N 0 1 384.314 3.078 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000610231278 566817028 /nfs/dbraw/zinc/81/70/28/566817028.db2.gz JKVBYTZDSLMZLN-VIFPVBQESA-N 0 1 396.241 3.063 20 0 GGADMN FC(F)(F)[C@H](CN[C@H]1CCc2cc(Br)ccc21)n1cncn1 ZINC000631685976 566817231 /nfs/dbraw/zinc/81/72/31/566817231.db2.gz BQINQVDHQWNORH-STQMWFEESA-N 0 1 375.192 3.421 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000610231277 566817370 /nfs/dbraw/zinc/81/73/70/566817370.db2.gz JKVBYTZDSLMZLN-SECBINFHSA-N 0 1 396.241 3.063 20 0 GGADMN Cc1cc(C(=O)NCc2n[nH]c(C3CC3)n2)c2cc(Br)ccc2n1 ZINC000517293586 566817511 /nfs/dbraw/zinc/81/75/11/566817511.db2.gz FFKMWVHXTYTQNF-UHFFFAOYSA-N 0 1 386.253 3.231 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cnc3n2CCCC3)c(F)cc1Br ZINC000562740855 566818168 /nfs/dbraw/zinc/81/81/68/566818168.db2.gz MUPGSKVLGOSFDS-UHFFFAOYSA-N 0 1 388.262 3.230 20 0 GGADMN COC(=O)c1coc(CNCCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000542695833 566818313 /nfs/dbraw/zinc/81/83/13/566818313.db2.gz FKTQEPYAMCEZTJ-UHFFFAOYSA-N 0 1 395.253 3.256 20 0 GGADMN NC(=O)CN(Cc1ccc(OC(F)F)c(Br)c1)C1CCCC1 ZINC000678814149 566819372 /nfs/dbraw/zinc/81/93/72/566819372.db2.gz YMUZBKPZFBPGAP-UHFFFAOYSA-N 0 1 377.229 3.280 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000517321086 566819637 /nfs/dbraw/zinc/81/96/37/566819637.db2.gz ROPIHYRZRXHTNV-KNCOVGOOSA-N 0 1 375.340 3.456 20 0 GGADMN CCc1nc(CNC(=O)N(Cc2cc(Br)ccc2F)C2CC2)n[nH]1 ZINC000581988439 566819660 /nfs/dbraw/zinc/81/96/60/566819660.db2.gz UCWFVMDIRISBOU-UHFFFAOYSA-N 0 1 396.264 3.143 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2ccc(Br)c3c2OCCC3)CCN1C ZINC000469854983 566820581 /nfs/dbraw/zinc/82/05/81/566820581.db2.gz YTLPTDBQZRXFCR-INIZCTEOSA-N 0 1 381.314 3.186 20 0 GGADMN COc1ccc(Br)c([C@@H](CO)N(C)CCCCCn2cccn2)c1 ZINC000451451593 566820787 /nfs/dbraw/zinc/82/07/87/566820787.db2.gz CYGOKBALSZWOGX-GOSISDBHSA-N 0 1 396.329 3.490 20 0 GGADMN Cc1ccccc1-n1cc(CNc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000489977813 566820811 /nfs/dbraw/zinc/82/08/11/566820811.db2.gz LGCKFRUYLZKGCC-UHFFFAOYSA-N 0 1 383.253 3.249 20 0 GGADMN COCCn1ncc2ccc(NS(=O)(=O)c3cccc(C)c3Cl)cc21 ZINC000678825811 566820950 /nfs/dbraw/zinc/82/09/50/566820950.db2.gz XHJKULPRTMOUCY-UHFFFAOYSA-N 0 1 379.869 3.445 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCN(C)c3ccccc32)s1 ZINC000581999487 566821514 /nfs/dbraw/zinc/82/15/14/566821514.db2.gz JDSUILANIQUQGP-MRXNPFEDSA-N 0 1 379.551 3.059 20 0 GGADMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542728253 566822165 /nfs/dbraw/zinc/82/21/65/566822165.db2.gz KNSMIDSFLGLHMR-CQSZACIVSA-N 0 1 379.917 3.084 20 0 GGADMN O=C(c1[nH]nc2ccc(I)cc21)N1CC[C@H]2CCC[C@H]21 ZINC000428156264 566822245 /nfs/dbraw/zinc/82/22/45/566822245.db2.gz VBEGOIIAMWNVOB-NOZJJQNGSA-N 0 1 381.217 3.182 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428183895 566823063 /nfs/dbraw/zinc/82/30/63/566823063.db2.gz IETBBTNKNVJAOU-CYBMUJFWSA-N 0 1 381.299 3.243 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000517395354 566823475 /nfs/dbraw/zinc/82/34/75/566823475.db2.gz HQQUSOVQBGWRJT-OAHLLOKOSA-N 0 1 381.263 3.039 20 0 GGADMN O=S(=O)(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc2cc(Cl)ccc2s1 ZINC000655631021 566824225 /nfs/dbraw/zinc/82/42/25/566824225.db2.gz RLHRHJPLWCJIIC-LLVKDONJSA-N 0 1 398.897 3.003 20 0 GGADMN COCCN1CC[C@@H](NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000517401086 566824256 /nfs/dbraw/zinc/82/42/56/566824256.db2.gz FZTMBIQZPJAJFK-DGCLKSJQSA-N 0 1 377.337 3.311 20 0 GGADMN O=S(=O)(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc2cc(Cl)ccc2s1 ZINC000655631022 566824469 /nfs/dbraw/zinc/82/44/69/566824469.db2.gz RLHRHJPLWCJIIC-NSHDSACASA-N 0 1 398.897 3.003 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000582038955 566824533 /nfs/dbraw/zinc/82/45/33/566824533.db2.gz DUWYGWPZEWLNJA-KWQFWETISA-N 0 1 396.314 3.337 20 0 GGADMN O=S(=O)(NCc1n[nH]c([C@@H]2CCCO2)n1)c1csc2ccc(Cl)cc21 ZINC000655630200 566824547 /nfs/dbraw/zinc/82/45/47/566824547.db2.gz FXSVCTNDIAPYRJ-NSHDSACASA-N 0 1 398.897 3.003 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000582038954 566824732 /nfs/dbraw/zinc/82/47/32/566824732.db2.gz DUWYGWPZEWLNJA-KCJUWKMLSA-N 0 1 396.314 3.337 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccc(Br)o3)o2)[C@@H]2CCCO[C@@H]21 ZINC000451480336 566824972 /nfs/dbraw/zinc/82/49/72/566824972.db2.gz OOXCGMNGJBBEQR-FZZIBODNSA-N 0 1 382.258 3.385 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccc(Br)o3)o2)[C@H]2CCCO[C@@H]21 ZINC000451480335 566825081 /nfs/dbraw/zinc/82/50/81/566825081.db2.gz OOXCGMNGJBBEQR-FZQKWOKYSA-N 0 1 382.258 3.385 20 0 GGADMN CS(=O)(=O)c1cccc(Br)c1NCCCN1CCCCC1 ZINC000517408615 566825825 /nfs/dbraw/zinc/82/58/25/566825825.db2.gz WNFVIFLASDHMMQ-UHFFFAOYSA-N 0 1 375.332 3.141 20 0 GGADMN CO[C@H]1C[C@@H](NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1(C)C ZINC000451492553 566826961 /nfs/dbraw/zinc/82/69/61/566826961.db2.gz JQTBQLJQNIRDSF-CVEARBPZSA-N 0 1 380.535 3.117 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000562842317 566827468 /nfs/dbraw/zinc/82/74/68/566827468.db2.gz VPSKVQYWKSBQKS-UHFFFAOYSA-N 0 1 390.328 3.110 20 0 GGADMN O=C(NCCNCc1nc2c(s1)CCCC2)c1cccc(Br)c1 ZINC000678956973 566827810 /nfs/dbraw/zinc/82/78/10/566827810.db2.gz PWARJNAXABTUNV-UHFFFAOYSA-N 0 1 394.338 3.304 20 0 GGADMN Cc1ccc(C[C@@H](CO)NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000469931951 566827956 /nfs/dbraw/zinc/82/79/56/566827956.db2.gz AVUDLUMFQKSAEX-ZDUSSCGKSA-N 0 1 375.881 3.433 20 0 GGADMN Cc1nc2cccc(C(=O)NCc3cc(Br)cc4c3OCC4)c2[nH]1 ZINC000582074570 566828042 /nfs/dbraw/zinc/82/80/42/566828042.db2.gz BBJMVOCUQXSVSK-UHFFFAOYSA-N 0 1 386.249 3.499 20 0 GGADMN CN(C)C(=O)C[C@H](NC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000562857458 566828437 /nfs/dbraw/zinc/82/84/37/566828437.db2.gz SSWZPEVAIJPASS-HNNXBMFYSA-N 0 1 391.265 3.104 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1nnc(C)s1)c1ccccc1Cl ZINC000542813249 566828875 /nfs/dbraw/zinc/82/88/75/566828875.db2.gz CFWNJFIEWWLOCN-HNNXBMFYSA-N 0 1 381.933 3.382 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cccc(C)c1F)c1ccc(Cl)c(F)c1 ZINC000542852301 566830286 /nfs/dbraw/zinc/83/02/86/566830286.db2.gz YEBXNBIDMJTKHS-OAHLLOKOSA-N 0 1 389.807 3.119 20 0 GGADMN CC[C@H](NCCNC(=O)c1ccc(Br)cc1)c1ccc(F)cn1 ZINC000490137035 566832340 /nfs/dbraw/zinc/83/23/40/566832340.db2.gz OZXKHKMZAIXIHL-HNNXBMFYSA-N 0 1 380.261 3.454 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCCOCC(F)(F)F ZINC000517575390 566832665 /nfs/dbraw/zinc/83/26/65/566832665.db2.gz DFNVCZCZKVNSKR-ZDUSSCGKSA-N 0 1 396.203 3.229 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccc(N(C)C)n2)c(C)cc1Br ZINC000542865755 566832889 /nfs/dbraw/zinc/83/28/89/566832889.db2.gz RIVSSYHPUZGVSX-UHFFFAOYSA-N 0 1 384.299 3.328 20 0 GGADMN CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ncc[nH]1 ZINC000631899772 566833025 /nfs/dbraw/zinc/83/30/25/566833025.db2.gz XJIVHKLBGVDAKW-LLVKDONJSA-N 0 1 388.312 3.030 20 0 GGADMN CCO[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000451535895 566833226 /nfs/dbraw/zinc/83/32/26/566833226.db2.gz ZCVKPJMGTBNMGW-WMLDXEAASA-N 0 1 383.330 3.154 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1Br ZINC000655668600 566833858 /nfs/dbraw/zinc/83/38/58/566833858.db2.gz HUGMNXSGPJQXGW-KGLIPLIRSA-N 0 1 387.343 3.053 20 0 GGADMN CN(CCCN(C)S(=O)(=O)C[C@@H]1CCCCC1(F)F)Cc1ccco1 ZINC000451537379 566834210 /nfs/dbraw/zinc/83/42/10/566834210.db2.gz CINPSUHSGISYJB-HNNXBMFYSA-N 0 1 378.485 3.189 20 0 GGADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1C(F)(F)F ZINC000655669795 566834303 /nfs/dbraw/zinc/83/43/03/566834303.db2.gz RQSTVUICKMMMEN-KBPBESRZSA-N 0 1 380.407 3.140 20 0 GGADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(Cl)ccc1OC(F)F ZINC000655666795 566834352 /nfs/dbraw/zinc/83/43/52/566834352.db2.gz AJNCTLCCEUJVLA-STQMWFEESA-N 0 1 394.871 3.237 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655667365 566834481 /nfs/dbraw/zinc/83/44/81/566834481.db2.gz DUEZDJSNFKUTIC-HUUCEWRRSA-N 0 1 387.343 3.053 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655667367 566834753 /nfs/dbraw/zinc/83/47/53/566834753.db2.gz DUEZDJSNFKUTIC-LSDHHAIUSA-N 0 1 387.343 3.053 20 0 GGADMN C[C@H](NC[C@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(Cl)cc1Cl ZINC000582145374 566835047 /nfs/dbraw/zinc/83/50/47/566835047.db2.gz DNHJVSMKMJWVFQ-GXTWGEPZSA-N 0 1 394.368 3.305 20 0 GGADMN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000451545460 566835529 /nfs/dbraw/zinc/83/55/29/566835529.db2.gz HKTDOECLMSRFEK-UHFFFAOYSA-N 0 1 381.807 3.301 20 0 GGADMN Cc1noc(C)c1C(C)(C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451545837 566835943 /nfs/dbraw/zinc/83/59/43/566835943.db2.gz OVMKAJOFHYOSJL-UHFFFAOYSA-N 0 1 378.372 3.229 20 0 GGADMN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(C)c(Br)cn1 ZINC000562938402 566835976 /nfs/dbraw/zinc/83/59/76/566835976.db2.gz NJEIHXLHJNKBPR-AWEZNQCLSA-N 0 1 399.310 3.152 20 0 GGADMN COc1cc(CN2CCC(C(=O)NCC(F)(F)F)CC2)ccc1SC ZINC000517614661 566836269 /nfs/dbraw/zinc/83/62/69/566836269.db2.gz QNLKZJSULPWRKP-UHFFFAOYSA-N 0 1 376.444 3.308 20 0 GGADMN CN(CCOCC(F)F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000470008128 566836473 /nfs/dbraw/zinc/83/64/73/566836473.db2.gz ITHXFJOAQFLENG-UHFFFAOYSA-N 0 1 396.272 3.312 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000562942082 566836771 /nfs/dbraw/zinc/83/67/71/566836771.db2.gz HZOUVTIYWVWHOQ-OAHLLOKOSA-N 0 1 379.302 3.128 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@H]1C ZINC000470007041 566837725 /nfs/dbraw/zinc/83/77/25/566837725.db2.gz XSDRZWFYVQGPPI-SMDDNHRTSA-N 0 1 379.254 3.488 20 0 GGADMN CCN([C@@H]1CCOC(C)(C)C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451561742 566838207 /nfs/dbraw/zinc/83/82/07/566838207.db2.gz HEYATUCMPCUFCY-GFCCVEGCSA-N 0 1 381.416 3.379 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CN1C1CC1 ZINC000428407795 566840014 /nfs/dbraw/zinc/84/00/14/566840014.db2.gz ZROASMPOSWBECC-VHSXEESVSA-N 0 1 393.734 3.006 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c(F)c1 ZINC000679201427 566840672 /nfs/dbraw/zinc/84/06/72/566840672.db2.gz XQGIFAVBJJFPQI-CYBMUJFWSA-N 0 1 384.395 3.430 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)C[C@H]2CCC(F)(F)C2)[C@@H]1c1cccs1 ZINC000632027612 566840879 /nfs/dbraw/zinc/84/08/79/566840879.db2.gz IRZSCNGHUPURDA-SQWLQELKSA-N 0 1 392.537 3.486 20 0 GGADMN CCCc1nc(C)c(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)o1 ZINC000451572998 566840984 /nfs/dbraw/zinc/84/09/84/566840984.db2.gz HZUDVTDWCAIYQV-UHFFFAOYSA-N 0 1 378.372 3.138 20 0 GGADMN CCOC(=O)c1sc(CNC(=O)c2cccc(Br)c2O)nc1C ZINC000610551213 566841590 /nfs/dbraw/zinc/84/15/90/566841590.db2.gz LEBDFNYGUYOXCG-UHFFFAOYSA-N 0 1 399.266 3.026 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(Br)c1[O-])[N@@H+](C)Cc1ccccc1 ZINC000517713223 566842193 /nfs/dbraw/zinc/84/21/93/566842193.db2.gz ONZZCKCCSJHZFJ-ZDUSSCGKSA-N 0 1 377.282 3.405 20 0 GGADMN COc1ccccc1COC[C@H](O)CNCc1ccccc1Br ZINC000562987768 566842290 /nfs/dbraw/zinc/84/22/90/566842290.db2.gz KTYIJCKJUHRZQD-MRXNPFEDSA-N 0 1 380.282 3.125 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000655741098 566842659 /nfs/dbraw/zinc/84/26/59/566842659.db2.gz FAQZPDCQWDQEFA-INIZCTEOSA-N 0 1 391.313 3.042 20 0 GGADMN C[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 ZINC000542971277 566842875 /nfs/dbraw/zinc/84/28/75/566842875.db2.gz UDKGPZKIDULNLN-SXBQZSJRSA-N 0 1 378.925 3.087 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CNC[C@@](C)(O)C(F)(F)F ZINC000655751680 566843215 /nfs/dbraw/zinc/84/32/15/566843215.db2.gz PZDCNYCZHKYDLR-CQSZACIVSA-N 0 1 392.219 3.346 20 0 GGADMN C[C@H](CO)N1CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000470065819 566843337 /nfs/dbraw/zinc/84/33/37/566843337.db2.gz JFTHKKDYPZSYCF-CYBMUJFWSA-N 0 1 391.364 3.142 20 0 GGADMN C[C@H](CO)N1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000470070229 566843978 /nfs/dbraw/zinc/84/39/78/566843978.db2.gz FYCFPSNQAAZNPS-GFCCVEGCSA-N 0 1 377.337 3.001 20 0 GGADMN Cn1c(CNC[C@H](O)COc2ccc(Cl)cc2)nc2cccc(Cl)c21 ZINC000563014633 566844169 /nfs/dbraw/zinc/84/41/69/566844169.db2.gz ZPBZYOIHJCTAGI-ZDUSSCGKSA-N 0 1 380.275 3.410 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CNC[C@](C)(O)C(F)(F)F ZINC000655751992 566844488 /nfs/dbraw/zinc/84/44/88/566844488.db2.gz ULLSONLZKKPUEV-AWEZNQCLSA-N 0 1 392.219 3.346 20 0 GGADMN O=C(CSCc1ccc(Br)cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000610580069 566844550 /nfs/dbraw/zinc/84/45/50/566844550.db2.gz KGNLOPNNKUFOAC-UHFFFAOYSA-N 0 1 395.326 3.207 20 0 GGADMN OC[C@H]([C@H](NCc1nc(-c2cccc(Br)c2)no1)C1CC1)C1CC1 ZINC000451585520 566844602 /nfs/dbraw/zinc/84/46/02/566844602.db2.gz DYEMTKGJJFLUMB-DOTOQJQBSA-N 0 1 392.297 3.386 20 0 GGADMN CCc1nc([C@@H](C)NCc2cn(-c3ccccc3Br)nc2C)n[nH]1 ZINC000655754010 566844658 /nfs/dbraw/zinc/84/46/58/566844658.db2.gz JFCZQVGQBPWKOP-GFCCVEGCSA-N 0 1 389.301 3.475 20 0 GGADMN CCOC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)sc2Cl)o1 ZINC000610590536 566844808 /nfs/dbraw/zinc/84/48/08/566844808.db2.gz SYFSQZBFKVOKHQ-UHFFFAOYSA-N 0 1 384.262 3.303 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC[C@H]1CCCCS1 ZINC000563031980 566845568 /nfs/dbraw/zinc/84/55/68/566845568.db2.gz HDOQEZPMPTZIFY-SNVBAGLBSA-N 0 1 383.315 3.410 20 0 GGADMN CCOc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1C ZINC000517763576 566845975 /nfs/dbraw/zinc/84/59/75/566845975.db2.gz OYXGFHUSQBCUKD-UHFFFAOYSA-N 0 1 380.853 3.343 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)c1 ZINC000582273829 566846036 /nfs/dbraw/zinc/84/60/36/566846036.db2.gz LRVCBNYYWVIXKU-UHFFFAOYSA-N 0 1 381.885 3.264 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1NCc1oc2ccccc2c1Br ZINC000655761032 566845960 /nfs/dbraw/zinc/84/59/60/566845960.db2.gz DVVOMSRGJNVJLX-CZUORRHYSA-N 0 1 384.270 3.105 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1Cl ZINC000679293282 566845994 /nfs/dbraw/zinc/84/59/94/566845994.db2.gz MFKCXSOWEMUXMI-JSGCOSHPSA-N 0 1 377.337 3.325 20 0 GGADMN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000428478062 566846471 /nfs/dbraw/zinc/84/64/71/566846471.db2.gz BRTJBAWGHZIYRH-JTQLQIEISA-N 0 1 386.748 3.442 20 0 GGADMN COC[C@@H](NS(=O)(=O)c1cscc1Br)c1ccc(C)o1 ZINC000632059205 566846892 /nfs/dbraw/zinc/84/68/92/566846892.db2.gz DMENHCKDSJARDG-SNVBAGLBSA-N 0 1 380.285 3.078 20 0 GGADMN OC[C@H]([C@H](NCc1nc(-c2ccc(Br)s2)no1)C1CC1)C1CC1 ZINC000451593327 566847366 /nfs/dbraw/zinc/84/73/66/566847366.db2.gz ATRUNNVSFLRJDW-XHDPSFHLSA-N 0 1 398.326 3.447 20 0 GGADMN COC[C@@H](NCc1cn(-c2cccc(Br)c2)nc1C)[C@H]1CCCO1 ZINC000655769158 566847614 /nfs/dbraw/zinc/84/76/14/566847614.db2.gz WQXPWTXEJQLANK-QZTJIDSGSA-N 0 1 394.313 3.227 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Br)ccc2NC(C)C)[nH]1 ZINC000470121417 566848319 /nfs/dbraw/zinc/84/83/19/566848319.db2.gz KAJCHMPPUMTUHM-UHFFFAOYSA-N 0 1 384.303 3.427 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Br)ccc2NC(C)C)n1 ZINC000470121417 566848321 /nfs/dbraw/zinc/84/83/21/566848321.db2.gz KAJCHMPPUMTUHM-UHFFFAOYSA-N 0 1 384.303 3.427 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CCN1C ZINC000563053448 566849061 /nfs/dbraw/zinc/84/90/61/566849061.db2.gz UYWQNRMVYQGPMC-GWCFXTLKSA-N 0 1 395.750 3.005 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000470145740 566849148 /nfs/dbraw/zinc/84/91/48/566849148.db2.gz YOWHNYQQAYTJNB-UHFFFAOYSA-N 0 1 382.180 3.125 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CNCc1n[nH]c(C2CC2)n1 ZINC000655778444 566849468 /nfs/dbraw/zinc/84/94/68/566849468.db2.gz LRUXCCJMDOWNRZ-UHFFFAOYSA-N 0 1 387.285 3.229 20 0 GGADMN Brc1ccc2c(c1)OCCC[C@@H]2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655796912 566849691 /nfs/dbraw/zinc/84/96/91/566849691.db2.gz KPIHCMROVYHUAN-UONOGXRCSA-N 0 1 393.285 3.422 20 0 GGADMN COc1ccc([C@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)c(Br)c1 ZINC000655793847 566850024 /nfs/dbraw/zinc/85/00/24/566850024.db2.gz DYARWQDYKFQTKW-HZMBPMFUSA-N 0 1 381.274 3.278 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2nnc(SCc3cccs3)s2)C1(C)C ZINC000563065171 566850373 /nfs/dbraw/zinc/85/03/73/566850373.db2.gz LMZUQWSORXBOFX-BZNIZROVSA-N 0 1 398.579 3.363 20 0 GGADMN Brc1cc(NCc2ccc3nc[nH]c3c2)cnc1N1CCOCC1 ZINC000543074050 566850724 /nfs/dbraw/zinc/85/07/24/566850724.db2.gz JCMLYSDSKPOCKE-UHFFFAOYSA-N 0 1 388.269 3.169 20 0 GGADMN Cc1cc(NC(=O)CN(Cc2cccc(Br)c2)C(C)C)n(C)n1 ZINC000517862407 566850764 /nfs/dbraw/zinc/85/07/64/566850764.db2.gz WLNPYEDLNXSXIU-UHFFFAOYSA-N 0 1 379.302 3.340 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000490440015 566850873 /nfs/dbraw/zinc/85/08/73/566850873.db2.gz NLFRXMUXTNRCQL-LLVKDONJSA-N 0 1 378.872 3.113 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCCS1 ZINC000543089662 566851001 /nfs/dbraw/zinc/85/10/01/566851001.db2.gz BTXZNQQPQMMMBM-GOSISDBHSA-N 0 1 381.973 3.254 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCCS2)CC1 ZINC000543082036 566851027 /nfs/dbraw/zinc/85/10/27/566851027.db2.gz XFMCJIUVSKVSDP-MRXNPFEDSA-N 0 1 398.370 3.425 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCCS1 ZINC000543089663 566851143 /nfs/dbraw/zinc/85/11/43/566851143.db2.gz BTXZNQQPQMMMBM-SFHVURJKSA-N 0 1 381.973 3.254 20 0 GGADMN O=C1C[C@H](N[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CN1C1CC1 ZINC000679354591 566851658 /nfs/dbraw/zinc/85/16/58/566851658.db2.gz XQVBVGAMENHDHY-QILLFSRXSA-N 0 1 379.298 3.022 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000490449054 566851945 /nfs/dbraw/zinc/85/19/45/566851945.db2.gz LIZRNGQLPOUYIN-LBPRGKRZSA-N 0 1 377.337 3.488 20 0 GGADMN CC(C)N1C[C@H](N[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1=O ZINC000679355689 566851992 /nfs/dbraw/zinc/85/19/92/566851992.db2.gz OVQCHEXXWIHHQZ-NUJGCVRESA-N 0 1 381.314 3.268 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCC2(CO)CC2)c2ccc(Cl)cc2)c1 ZINC000679345497 566852029 /nfs/dbraw/zinc/85/20/29/566852029.db2.gz UKTSOQFEDOQZDK-SFHVURJKSA-N 0 1 379.909 3.195 20 0 GGADMN CC(C)C[C@@H]1C[C@H](NC(=O)[C@@](C)(N)c2ccc(Br)cc2)CCO1 ZINC000563086937 566852080 /nfs/dbraw/zinc/85/20/80/566852080.db2.gz WLZAINAURXUMFD-NUJGCVRESA-N 0 1 383.330 3.333 20 0 GGADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000490449053 566852719 /nfs/dbraw/zinc/85/27/19/566852719.db2.gz LIZRNGQLPOUYIN-GFCCVEGCSA-N 0 1 377.337 3.488 20 0 GGADMN O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582331045 566853382 /nfs/dbraw/zinc/85/33/82/566853382.db2.gz XMSHVCDXMPVOTB-LBPRGKRZSA-N 0 1 390.281 3.013 20 0 GGADMN C[C@H](Cc1ccccn1)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000655833941 566853781 /nfs/dbraw/zinc/85/37/81/566853781.db2.gz IXYWFBPZUZCALS-WBMJQRKESA-N 0 1 395.322 3.283 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000610702914 566853898 /nfs/dbraw/zinc/85/38/98/566853898.db2.gz PXOMXIUDCPCUOJ-AWEZNQCLSA-N 0 1 392.235 3.325 20 0 GGADMN C[C@@H](Cc1ccccn1)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000655833939 566854139 /nfs/dbraw/zinc/85/41/39/566854139.db2.gz IXYWFBPZUZCALS-LRDDRELGSA-N 0 1 395.322 3.283 20 0 GGADMN Cc1cnc(CCNCc2cn(-c3ccccc3Br)nn2)c(C)c1 ZINC000655829410 566854266 /nfs/dbraw/zinc/85/42/66/566854266.db2.gz NCEZGDPSVGGILK-UHFFFAOYSA-N 0 1 386.297 3.374 20 0 GGADMN COCCS(=O)(=O)c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000428551490 566856213 /nfs/dbraw/zinc/85/62/13/566856213.db2.gz KVBDWKJTCIDWDJ-UHFFFAOYSA-N 0 1 398.322 3.159 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(F)ccc1Br ZINC000517965894 566856395 /nfs/dbraw/zinc/85/63/95/566856395.db2.gz PHJWHDWKIBLUEH-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc(F)ccc1Br ZINC000517965894 566856403 /nfs/dbraw/zinc/85/64/03/566856403.db2.gz PHJWHDWKIBLUEH-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NCCN2CCC[C@@H](C)C2)cc1Cl ZINC000517963525 566856493 /nfs/dbraw/zinc/85/64/93/566856493.db2.gz IWBDEJZHILEUCD-LLVKDONJSA-N 0 1 381.325 3.012 20 0 GGADMN Cc1c(NS(=O)(=O)c2cccc(Cl)c2Cl)cccc1N1CN=NC1=O ZINC000582392617 566857546 /nfs/dbraw/zinc/85/75/46/566857546.db2.gz MRYGIIQGXWHPED-UHFFFAOYSA-N 0 1 399.259 3.389 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000428558475 566858088 /nfs/dbraw/zinc/85/80/88/566858088.db2.gz MZKQSOKRYKXYIF-CYBMUJFWSA-N 0 1 378.266 3.429 20 0 GGADMN O=S(=O)(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(Br)cc1 ZINC000470243435 566859901 /nfs/dbraw/zinc/85/99/01/566859901.db2.gz ZJFVUYSFAGFFSN-UHFFFAOYSA-N 0 1 397.229 3.174 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CCN1 ZINC000582408502 566860291 /nfs/dbraw/zinc/86/02/91/566860291.db2.gz IMPXLMUFJPIFIL-SNVBAGLBSA-N 0 1 382.251 3.401 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N2CCOc3ccc(Br)cc3C2)cc1 ZINC000563159032 566862217 /nfs/dbraw/zinc/86/22/17/566862217.db2.gz CFUQCVOAQXTXGB-KRWDZBQOSA-N 0 1 375.266 3.179 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696725 566863183 /nfs/dbraw/zinc/86/31/83/566863183.db2.gz PTGMRYLYVJTJJG-FMKPAKJESA-N 0 1 381.314 3.179 20 0 GGADMN Fc1cccc(Cc2noc([C@@H]3CCCc4nn[nH]c43)n2)c1Br ZINC000632222263 566863148 /nfs/dbraw/zinc/86/31/48/566863148.db2.gz DEOLJRLMWXWUPF-SECBINFHSA-N 0 1 378.205 3.148 20 0 GGADMN O=C(NCc1ccnc(N2CCCCC2)c1)c1cccc(Br)c1O ZINC000518051593 566863729 /nfs/dbraw/zinc/86/37/29/566863729.db2.gz PUAJTOUCGSCROD-UHFFFAOYSA-N 0 1 390.281 3.470 20 0 GGADMN CS(=O)(=O)c1ccc(CN=c2nc(-c3ccccc3)[nH]s2)cc1Cl ZINC000428657628 566864630 /nfs/dbraw/zinc/86/46/30/566864630.db2.gz OGPKKOZJDXGFCN-UHFFFAOYSA-N 0 1 379.894 3.296 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000656007022 566864660 /nfs/dbraw/zinc/86/46/60/566864660.db2.gz DXSXQTPLBRYREZ-QMMMGPOBSA-N 0 1 382.237 3.144 20 0 GGADMN O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000518088908 566864976 /nfs/dbraw/zinc/86/49/76/566864976.db2.gz DCMBYMBODVCZFV-ZDUSSCGKSA-N 0 1 380.407 3.093 20 0 GGADMN O=S1(=O)CCCC[C@H]1CNCc1cc(Br)ccc1OC(F)F ZINC000543237167 566865473 /nfs/dbraw/zinc/86/54/73/566865473.db2.gz SFGXQKPDAIHUOW-LBPRGKRZSA-N 0 1 398.269 3.107 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CC[C@@H]2C1 ZINC000451701221 566865875 /nfs/dbraw/zinc/86/58/75/566865875.db2.gz GZYKNVPFGATOPU-UMVBOHGHSA-N 0 1 382.298 3.203 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]2C1 ZINC000451701664 566865995 /nfs/dbraw/zinc/86/59/95/566865995.db2.gz HSEFZPOFLGBNTG-DUVNUKRYSA-N 0 1 392.297 3.482 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470350203 566866077 /nfs/dbraw/zinc/86/60/77/566866077.db2.gz UFILYRHCAZNLNV-UHFFFAOYSA-N 0 1 395.301 3.454 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000490582333 566866117 /nfs/dbraw/zinc/86/61/17/566866117.db2.gz GZQOJBLHVRRXJZ-LSDHHAIUSA-N 0 1 385.371 3.324 20 0 GGADMN CCc1nc(CNC(=O)N2CC=C(c3cccc(Br)c3)CC2)n[nH]1 ZINC000656046442 566866447 /nfs/dbraw/zinc/86/64/47/566866447.db2.gz VVACYBGCBYWSEL-UHFFFAOYSA-N 0 1 390.285 3.129 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@@H](CO)CC(F)F)c1ccccc1Cl ZINC000428664312 566866773 /nfs/dbraw/zinc/86/67/73/566866773.db2.gz BEJQMZRBTWWYQY-DOMZBBRYSA-N 0 1 377.863 3.038 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N[C@@H](CO)CC(F)F)c1ccccc1Cl ZINC000428664316 566867118 /nfs/dbraw/zinc/86/71/18/566867118.db2.gz BEJQMZRBTWWYQY-IUODEOHRSA-N 0 1 377.863 3.038 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]2C1 ZINC000451711336 566867624 /nfs/dbraw/zinc/86/76/24/566867624.db2.gz PQQHIDVFMLTRPL-SDDRHHMPSA-N 0 1 382.258 3.075 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451718749 566868908 /nfs/dbraw/zinc/86/89/08/566868908.db2.gz WOYLKUOZWZDVHY-VWPFQQQWSA-N 0 1 381.314 3.259 20 0 GGADMN CC[C@@H]1CN(CC)CCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000451723768 566869201 /nfs/dbraw/zinc/86/92/01/566869201.db2.gz BLXNQGCIUMEQSU-WMLDXEAASA-N 0 1 382.346 3.042 20 0 GGADMN CCS[C@@H](C)c1noc(CN(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)n1 ZINC000610834604 566869247 /nfs/dbraw/zinc/86/92/47/566869247.db2.gz LJOINRCJAZEVTL-QMMMGPOBSA-N 0 1 377.392 3.206 20 0 GGADMN CC[C@@H]1CN(CC)CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000451724575 566869454 /nfs/dbraw/zinc/86/94/54/566869454.db2.gz HLBCVNATJMOAQI-CYBMUJFWSA-N 0 1 375.847 3.296 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101717 566870064 /nfs/dbraw/zinc/87/00/64/566870064.db2.gz RXAXWYWESZFAGW-UHFFFAOYSA-N 0 1 378.270 3.382 20 0 GGADMN C[N@@H+](CCOc1ccccc1Br)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563285225 566871058 /nfs/dbraw/zinc/87/10/58/566871058.db2.gz ZLGSWBYUUCOFQC-INIZCTEOSA-N 0 1 378.266 3.456 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CCc3sc(Br)cc3C2)n[nH]1 ZINC000656118443 566871344 /nfs/dbraw/zinc/87/13/44/566871344.db2.gz CPPIQBHBKMLQKV-UHFFFAOYSA-N 0 1 384.303 3.020 20 0 GGADMN CC[C@H]1CN(CC)CCN1Cc1nnc(-c2ccccc2Br)o1 ZINC000451725812 566871328 /nfs/dbraw/zinc/87/13/28/566871328.db2.gz PIEKXZUJJBZRJD-ZDUSSCGKSA-N 0 1 379.302 3.415 20 0 GGADMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)Nc1ccc(C(N)=O)cc1F ZINC000470436876 566871767 /nfs/dbraw/zinc/87/17/67/566871767.db2.gz FMVINORVFWIQGC-UHFFFAOYSA-N 0 1 382.800 3.433 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1C[C@H](C)O ZINC000543334083 566871843 /nfs/dbraw/zinc/87/18/43/566871843.db2.gz BLCDMYZUCIUNKF-CMPLNLGQSA-N 0 1 380.341 3.042 20 0 GGADMN CC[C@H]1CN(CC)CCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000451731930 566872978 /nfs/dbraw/zinc/87/29/78/566872978.db2.gz RYQYGNOQPYXFKV-INIZCTEOSA-N 0 1 393.329 3.339 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cc(Br)cs2)CC1 ZINC000428704928 566873282 /nfs/dbraw/zinc/87/32/82/566873282.db2.gz AUJZHWJDXDZLHZ-CABCVRRESA-N 0 1 388.327 3.301 20 0 GGADMN Cn1ccnc1[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554152 566873731 /nfs/dbraw/zinc/87/37/31/566873731.db2.gz DUZBRTMDECGDLP-MLGOLLRUSA-N 0 1 379.291 3.322 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428738727 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CCN1C[C@H](C)N(C(=O)CCc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000563325060 566876397 /nfs/dbraw/zinc/87/63/97/566876397.db2.gz JLCDTPNZYGESIV-KBPBESRZSA-N 0 1 383.330 3.331 20 0 GGADMN COc1ccc([C@@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000679842186 566876484 /nfs/dbraw/zinc/87/64/84/566876484.db2.gz GPDPPFHFCUXKAY-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N1CCc2ccccc21 ZINC000428788282 566876874 /nfs/dbraw/zinc/87/68/74/566876874.db2.gz RPAZPODDRLLCOY-CXAGYDPISA-N 0 1 389.293 3.050 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000428784512 566877001 /nfs/dbraw/zinc/87/70/01/566877001.db2.gz TUFDVBLUGQGYTE-HWPZZCPQSA-N 0 1 399.235 3.378 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)N2CCc3cc(Br)ccc3C2)n[nH]1 ZINC000518329819 566877182 /nfs/dbraw/zinc/87/71/82/566877182.db2.gz GELKJYITBPRQCY-UHFFFAOYSA-N 0 1 392.301 3.133 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2S(=O)(=O)C[C@H]2CCC(F)(F)C2)n[nH]1 ZINC000632341629 566877132 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CC[C@H](C)N1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000451822800 566889568 /nfs/dbraw/zinc/88/95/68/566889568.db2.gz LLFKIOKQLIQRIC-AWEZNQCLSA-N 0 1 393.329 3.339 20 0 GGADMN CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCN(CC)[C@H](C)C1 ZINC000611095941 566889762 /nfs/dbraw/zinc/88/97/62/566889762.db2.gz ZJTLBAFLKNRABU-GFCCVEGCSA-N 0 1 398.301 3.184 20 0 GGADMN C[C@H](NC(=O)CN1CCC([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000680087439 566889926 /nfs/dbraw/zinc/88/99/26/566889926.db2.gz FIGHKKHCDUOTOA-YOEHRIQHSA-N 0 1 395.341 3.375 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cn(-c3cccc(Br)c3)nc2C)[C@@H]1OC ZINC000656255944 566890164 /nfs/dbraw/zinc/89/01/64/566890164.db2.gz NVBXFBQJAJVOET-KSZLIROESA-N 0 1 394.313 3.225 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCSC[C@H]1CCO ZINC000656254187 566890216 /nfs/dbraw/zinc/89/02/16/566890216.db2.gz CVFKJUCWWWLUSU-QGZVFWFLSA-N 0 1 396.354 3.243 20 0 GGADMN COc1cccc(OCC[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)c1 ZINC000518548521 566890271 /nfs/dbraw/zinc/89/02/71/566890271.db2.gz 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Brc1ccccc1-c1nnc(N2CCN(C3CC3)CC2)n1C1CC1 ZINC000582792005 566894641 /nfs/dbraw/zinc/89/46/41/566894641.db2.gz ZMRLNOWBUVTBDW-UHFFFAOYSA-N 0 1 388.313 3.327 20 0 GGADMN Cc1cc(I)ccc1NC(=O)CN1CCC2(CC2)CC1 ZINC000611177319 566896061 /nfs/dbraw/zinc/89/60/61/566896061.db2.gz FNCOTRBNHQJIHH-UHFFFAOYSA-N 0 1 384.261 3.414 20 0 GGADMN O=C(CCc1c[nH]nn1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000632592731 566896666 /nfs/dbraw/zinc/89/66/66/566896666.db2.gz YYOWRNRYQRGAAR-HNNXBMFYSA-N 0 1 381.249 3.297 20 0 GGADMN O=C(CCc1cnn[nH]1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000632592731 566896671 /nfs/dbraw/zinc/89/66/71/566896671.db2.gz YYOWRNRYQRGAAR-HNNXBMFYSA-N 0 1 381.249 3.297 20 0 GGADMN NC(=O)[C@@H](Cc1ccccc1)NCc1cc(Br)ccc1OC(F)F ZINC000543655612 566897093 /nfs/dbraw/zinc/89/70/93/566897093.db2.gz BGJWUGYENZONOI-CQSZACIVSA-N 0 1 399.235 3.237 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000656275812 566897199 /nfs/dbraw/zinc/89/71/99/566897199.db2.gz HLFUUVQJDXMOGM-JCURWCKSSA-N 0 1 397.276 3.463 20 0 GGADMN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1=CC[N@@H+](C)CC1 ZINC000543651698 566897437 /nfs/dbraw/zinc/89/74/37/566897437.db2.gz FBWJPKZGQXSBGP-LLVKDONJSA-N 0 1 377.901 3.052 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000656275813 566897733 /nfs/dbraw/zinc/89/77/33/566897733.db2.gz HLFUUVQJDXMOGM-OAUYIBNBSA-N 0 1 397.276 3.463 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC[C@@]2(CCOC2)C1 ZINC000656276057 566897853 /nfs/dbraw/zinc/89/78/53/566897853.db2.gz YMXDJICMDUPABT-QGZVFWFLSA-N 0 1 393.285 3.038 20 0 GGADMN C[C@@](CO)(NC[C@H](O)COc1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000451884759 566899835 /nfs/dbraw/zinc/89/98/35/566899835.db2.gz HACYWGGDHIDNBP-YJBOKZPZSA-N 0 1 388.266 3.370 20 0 GGADMN COc1ccc(CCC(=O)Nc2cc(N(C)C)ccn2)cc1Br ZINC000680259006 566900468 /nfs/dbraw/zinc/90/04/68/566900468.db2.gz SUCCLXVACKSMPA-UHFFFAOYSA-N 0 1 378.270 3.490 20 0 GGADMN CCN(CCNc1ncccc1I)CCC(F)(F)F ZINC000491871964 566919288 /nfs/dbraw/zinc/91/92/88/566919288.db2.gz OZISLFFWZVJZTD-UHFFFAOYSA-N 0 1 387.187 3.372 20 0 GGADMN CC[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC(=O)N1 ZINC000543691265 566901462 /nfs/dbraw/zinc/90/14/62/566901462.db2.gz PZHIHMGQXXFGBK-IONNQARKSA-N 0 1 375.650 3.051 20 0 GGADMN C[C@@](CO)(NC[C@@H](O)COc1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000451884758 566901415 /nfs/dbraw/zinc/90/14/15/566901415.db2.gz HACYWGGDHIDNBP-QAPCUYQASA-N 0 1 388.266 3.370 20 0 GGADMN O=C(CN1CCOC[C@@H](C2CCC2)C1)NCCc1cccc(Cl)c1Cl ZINC000429021470 566901494 /nfs/dbraw/zinc/90/14/94/566901494.db2.gz QIVDCUCPBSOHAI-INIZCTEOSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H]1CSCCN1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000582872925 566901538 /nfs/dbraw/zinc/90/15/38/566901538.db2.gz JTMOAHAEQSOINC-CMPLNLGQSA-N 0 1 380.735 3.280 20 0 GGADMN CC[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC(=O)N1 ZINC000543691268 566901763 /nfs/dbraw/zinc/90/17/63/566901763.db2.gz PZHIHMGQXXFGBK-VXNVDRBHSA-N 0 1 375.650 3.051 20 0 GGADMN CC[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC(=O)N1 ZINC000543691261 566902268 /nfs/dbraw/zinc/90/22/68/566902268.db2.gz PZHIHMGQXXFGBK-APPZFPTMSA-N 0 1 375.650 3.051 20 0 GGADMN NCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)ccn1 ZINC000518756580 566902651 /nfs/dbraw/zinc/90/26/51/566902651.db2.gz RBMCBHUMPWBOQH-CQSZACIVSA-N 0 1 379.291 3.246 20 0 GGADMN C[C@](CO)(NC[C@H](O)COc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451888990 566902791 /nfs/dbraw/zinc/90/27/91/566902791.db2.gz LSWOZVCCSCILTA-FUHWJXTLSA-N 0 1 388.266 3.370 20 0 GGADMN CCC1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCOCC1 ZINC000543704760 566903231 /nfs/dbraw/zinc/90/32/31/566903231.db2.gz UIIYNMDUZWYFMR-UHFFFAOYSA-N 0 1 379.258 3.380 20 0 GGADMN C[C@H]1CN(CCN[C@@H](c2ccco2)c2ccc(Br)cc2)CCO1 ZINC000543709348 566903995 /nfs/dbraw/zinc/90/39/95/566903995.db2.gz UPBUGRBODYIKSC-KBXCAEBGSA-N 0 1 379.298 3.442 20 0 GGADMN COCCN(CC(=O)N(C)C)Cc1cccc2c(Br)cccc12 ZINC000429045192 566904531 /nfs/dbraw/zinc/90/45/31/566904531.db2.gz FSKFCRJUEDKSCG-UHFFFAOYSA-N 0 1 379.298 3.139 20 0 GGADMN C[C@@H](NCCc1cncn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000656496802 566904831 /nfs/dbraw/zinc/90/48/31/566904831.db2.gz WJCMHKJLWIKPEZ-LLVKDONJSA-N 0 1 376.258 3.126 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000491344589 566904827 /nfs/dbraw/zinc/90/48/27/566904827.db2.gz BKLITYYNJDOPJQ-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN CC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCO1 ZINC000543716599 566906131 /nfs/dbraw/zinc/90/61/31/566906131.db2.gz RVTQJEKJTRNWMP-WDEREUQCSA-N 0 1 379.258 3.378 20 0 GGADMN COC(=O)c1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)s1 ZINC000470823813 566906540 /nfs/dbraw/zinc/90/65/40/566906540.db2.gz VUJBJTSDUORXOW-STQMWFEESA-N 0 1 383.514 3.036 20 0 GGADMN Cc1nc(NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1I ZINC000429057225 566907076 /nfs/dbraw/zinc/90/70/76/566907076.db2.gz YIFSOCRVTQDKCN-UHFFFAOYSA-N 0 1 394.172 3.230 20 0 GGADMN CCN(C)C(=O)[C@H](C)NCc1cc(Br)c(C)c(Br)c1 ZINC000563675058 566907154 /nfs/dbraw/zinc/90/71/54/566907154.db2.gz APALHGUJSXVYKS-JTQLQIEISA-N 0 1 392.135 3.476 20 0 GGADMN CO[C@H]1Cc2ccccc2N(C([O-])=[NH+]c2ccnc(C)c2Br)C1 ZINC000563686648 566907547 /nfs/dbraw/zinc/90/75/47/566907547.db2.gz CZMWQGTUCJEGIQ-ZDUSSCGKSA-N 0 1 376.254 3.184 20 0 GGADMN Cc1ncsc1CCS(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000563681837 566907954 /nfs/dbraw/zinc/90/79/54/566907954.db2.gz XIJQKTAXDPTPHH-PBHICJAKSA-N 0 1 399.607 3.058 20 0 GGADMN O=C1CCC(=O)N1CCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680432392 566908759 /nfs/dbraw/zinc/90/87/59/566908759.db2.gz FAVZMOCZZNFWKA-GFCCVEGCSA-N 0 1 393.203 3.181 20 0 GGADMN CCC[C@@H](C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000611304915 566909659 /nfs/dbraw/zinc/90/96/59/566909659.db2.gz KYHNRGRWMYXEFV-SECBINFHSA-N 0 1 384.217 3.051 20 0 GGADMN NC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491578100 566909866 /nfs/dbraw/zinc/90/98/66/566909866.db2.gz CWRHIZUWRHDWBG-UHFFFAOYSA-N 0 1 389.658 3.002 20 0 GGADMN C[C@H](NCC(=O)NCCc1ccc(Cl)cc1)[C@@H]1OCCc2sccc21 ZINC000429157983 566911061 /nfs/dbraw/zinc/91/10/61/566911061.db2.gz OIYDPBNTDQGNTG-DJJJIMSYSA-N 0 1 378.925 3.352 20 0 GGADMN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000611332877 566911212 /nfs/dbraw/zinc/91/12/12/566911212.db2.gz HRCMBBHCUZTQJT-NSHDSACASA-N 0 1 384.270 3.206 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)c1cccs1 ZINC000518954356 566911851 /nfs/dbraw/zinc/91/18/51/566911851.db2.gz QCPHFPXAEULPTI-ZDUSSCGKSA-N 0 1 393.408 3.268 20 0 GGADMN COc1nc2ccc(NS(=O)(=O)c3cc(OC)cc(OC)c3)cc2s1 ZINC000563733610 566912538 /nfs/dbraw/zinc/91/25/38/566912538.db2.gz WQWHQEOUMVLPCD-UHFFFAOYSA-N 0 1 380.447 3.123 20 0 GGADMN Cn1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)n1 ZINC000680502080 566912410 /nfs/dbraw/zinc/91/24/10/566912410.db2.gz HLALSYHGULPNEN-CQSZACIVSA-N 0 1 375.416 3.300 20 0 GGADMN Cn1ccc(S(=O)(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)n1 ZINC000680502079 566913059 /nfs/dbraw/zinc/91/30/59/566913059.db2.gz HLALSYHGULPNEN-AWEZNQCLSA-N 0 1 375.416 3.300 20 0 GGADMN C[C@@H](NC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C)c1nnc[nH]1 ZINC000583000859 566913383 /nfs/dbraw/zinc/91/33/83/566913383.db2.gz YTEZXEVRBDEHTF-NOZJJQNGSA-N 0 1 378.274 3.251 20 0 GGADMN CN(CC1CCCCC1)C(=O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000543838349 566914133 /nfs/dbraw/zinc/91/41/33/566914133.db2.gz HFPCMAAXUKJCRL-KRWDZBQOSA-N 0 1 383.330 3.111 20 0 GGADMN O=C(CN[C@@H](CO)c1ccc(Br)cc1)N(C1CC1)C1CCCC1 ZINC000543838439 566914338 /nfs/dbraw/zinc/91/43/38/566914338.db2.gz INYPYRKTBOJVIO-KRWDZBQOSA-N 0 1 381.314 3.006 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1(CO)CCC1 ZINC000429224817 566914506 /nfs/dbraw/zinc/91/45/06/566914506.db2.gz CFKPVKPDFCEBSF-UHFFFAOYSA-N 0 1 395.219 3.253 20 0 GGADMN CN1C[C@H](NC(=O)c2cccc(F)c2Br)[C@H](c2ccccc2)C1 ZINC000491684209 566914464 /nfs/dbraw/zinc/91/44/64/566914464.db2.gz GBITUUWUCHDUQD-HOCLYGCPSA-N 0 1 377.257 3.416 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000656549025 566915666 /nfs/dbraw/zinc/91/56/66/566915666.db2.gz WLIXPQFQBMCEPY-OAHLLOKOSA-N 0 1 385.295 3.333 20 0 GGADMN CN1C[C@H](NC(=O)c2cccc(F)c2Br)[C@@H](c2ccccc2)C1 ZINC000491684211 566915735 /nfs/dbraw/zinc/91/57/35/566915735.db2.gz GBITUUWUCHDUQD-ZBFHGGJFSA-N 0 1 377.257 3.416 20 0 GGADMN O=C(CN1CCC[C@]2(CCSC2)C1)NCCc1nc2ccccc2s1 ZINC000451971574 566916109 /nfs/dbraw/zinc/91/61/09/566916109.db2.gz LVPJOFSISCXQAZ-IBGZPJMESA-N 0 1 375.563 3.174 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000563771159 566916089 /nfs/dbraw/zinc/91/60/89/566916089.db2.gz UDJGNNCGTFJNIV-KBPBESRZSA-N 0 1 391.313 3.190 20 0 GGADMN O=S(=O)(NC1(c2nccs2)CCCC1)c1ccc(Br)o1 ZINC000680534381 566916957 /nfs/dbraw/zinc/91/69/57/566916957.db2.gz YBKILGFQRNXXRU-UHFFFAOYSA-N 0 1 377.285 3.246 20 0 GGADMN CN(C)CCN(Cc1cccs1)C(=O)CSCC(=O)c1ccccc1 ZINC000470963313 566917805 /nfs/dbraw/zinc/91/78/05/566917805.db2.gz INSBCGIFNXTIEV-UHFFFAOYSA-N 0 1 376.547 3.254 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCOC[C@@H](C2CCC2)C1 ZINC000429266476 566917946 /nfs/dbraw/zinc/91/79/46/566917946.db2.gz XDJDTBXRTINHET-KRWDZBQOSA-N 0 1 395.341 3.156 20 0 GGADMN COc1ccc([C@@H](NC[C@@H](C)S(C)(=O)=O)C(C)C)c(Br)c1 ZINC000563802741 566918093 /nfs/dbraw/zinc/91/80/93/566918093.db2.gz XEVXIMFGYUSNSS-ABAIWWIYSA-N 0 1 378.332 3.178 20 0 GGADMN C[C@@H](NC(=O)CN1CCOC[C@H](C2CCC2)C1)c1ccc(Br)cc1 ZINC000429266063 566918214 /nfs/dbraw/zinc/91/82/14/566918214.db2.gz RUAHCFRJQIMWAX-RHSMWYFYSA-N 0 1 395.341 3.375 20 0 GGADMN COc1cc(Br)ccc1CCCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000470959706 566918576 /nfs/dbraw/zinc/91/85/76/566918576.db2.gz MZDSIOWNZJECPD-KSSFIOAISA-N 0 1 384.314 3.270 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCC[C@H](c4n[nH]c(=O)o4)C3)s2)cs1 ZINC000632843960 566919308 /nfs/dbraw/zinc/91/93/08/566919308.db2.gz ZCTJNIXONZGYHZ-JTQLQIEISA-N 0 1 376.463 3.288 20 0 GGADMN CNS(=O)(=O)CCN[C@@H](c1sccc1Br)C1CCCCC1 ZINC000563817667 566919374 /nfs/dbraw/zinc/91/93/74/566919374.db2.gz SZHYGIHOPXRWPE-CYBMUJFWSA-N 0 1 395.388 3.271 20 0 GGADMN CCC[C@H](NC(=O)c1oc2c(cccc2Br)c1C)c1nn[nH]n1 ZINC000543885158 566919715 /nfs/dbraw/zinc/91/97/15/566919715.db2.gz VBQRUMIXPRZHFD-NSHDSACASA-N 0 1 378.230 3.288 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NCCc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000519087848 566919845 /nfs/dbraw/zinc/91/98/45/566919845.db2.gz XTDBMAHNONDOQY-ZIAGYGMSSA-N 0 1 388.339 3.334 20 0 GGADMN COC(=O)CCN(Cc1cc2c(cc1Br)OCCCO2)C(C)C ZINC000611480725 566920024 /nfs/dbraw/zinc/92/00/24/566920024.db2.gz DDCGUNUAJIALMG-UHFFFAOYSA-N 0 1 386.286 3.384 20 0 GGADMN CSC[C@@H]1CCCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000429290073 566920054 /nfs/dbraw/zinc/92/00/54/566920054.db2.gz QVGLYZXOZPKZSX-CQSZACIVSA-N 0 1 376.444 3.276 20 0 GGADMN Cc1nc(-c2ccc(C(=O)N3CCC(c4n[nH]c(=O)o4)CC3)s2)cs1 ZINC000632877828 566920951 /nfs/dbraw/zinc/92/09/51/566920951.db2.gz ZNRXFEHXSFPTGW-UHFFFAOYSA-N 0 1 376.463 3.288 20 0 GGADMN CCc1sc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000563825222 566921203 /nfs/dbraw/zinc/92/12/03/566921203.db2.gz OJAOHHFAKPIPBA-RYUDHWBXSA-N 0 1 389.359 3.302 20 0 GGADMN CCc1sc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000563825225 566921437 /nfs/dbraw/zinc/92/14/37/566921437.db2.gz OJAOHHFAKPIPBA-VXGBXAGGSA-N 0 1 389.359 3.302 20 0 GGADMN C[C@](N)(C(=O)NCCCNc1ccccc1)c1ccc(Br)cc1 ZINC000583140752 566923360 /nfs/dbraw/zinc/92/33/60/566923360.db2.gz AYWZAUAUUQKQCY-GOSISDBHSA-N 0 1 376.298 3.241 20 0 GGADMN O[C@@H](CN[C@@H]1CCOc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000583138917 566924051 /nfs/dbraw/zinc/92/40/51/566924051.db2.gz OQSHRLUUXBTIQI-WMLDXEAASA-N 0 1 396.256 3.441 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)C[C@H](C)N1 ZINC000519140648 566924185 /nfs/dbraw/zinc/92/41/85/566924185.db2.gz YFXHCYMEOWVERR-IUCAKERBSA-N 0 1 381.192 3.170 20 0 GGADMN O=S(=O)(c1ccc(F)cc1)N1CCCN(CCCc2ccsc2)CC1 ZINC000543947872 566924369 /nfs/dbraw/zinc/92/43/69/566924369.db2.gz 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/nfs/dbraw/zinc/92/75/19/566927519.db2.gz IZYZGFJTQRZHSD-HNNXBMFYSA-N 0 1 386.249 3.254 20 0 GGADMN Cc1cnn(C)c1S(=O)(=O)Nc1cc(Cl)c(Br)cc1C ZINC000656633742 566927769 /nfs/dbraw/zinc/92/77/69/566927769.db2.gz GYNNQVBNCFIROY-UHFFFAOYSA-N 0 1 378.679 3.254 20 0 GGADMN O=C(NCc1ccc(Br)cc1Cl)N1CCN(CC2CC2)CC1 ZINC000519236081 566927679 /nfs/dbraw/zinc/92/76/79/566927679.db2.gz VZKJCDHYFLLVPK-UHFFFAOYSA-N 0 1 386.721 3.340 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2C)c(Cl)c1 ZINC000563910235 566928672 /nfs/dbraw/zinc/92/86/72/566928672.db2.gz MEMWVBKJGPPAJI-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccccc1Br ZINC000429404203 566928964 /nfs/dbraw/zinc/92/89/64/566928964.db2.gz LMADVZABTPLKBV-UHFFFAOYSA-N 0 1 389.359 3.334 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3CCN(C)[C@H](C(C)C)C3)cc21 ZINC000583179630 566929162 /nfs/dbraw/zinc/92/91/62/566929162.db2.gz HTSKSKALDCDMPD-HNNXBMFYSA-N 0 1 394.313 3.351 20 0 GGADMN COCCS(=O)(=O)c1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1 ZINC000429412544 566929231 /nfs/dbraw/zinc/92/92/31/566929231.db2.gz NUBDTXLEOUHUCM-INIZCTEOSA-N 0 1 380.535 3.039 20 0 GGADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)s1 ZINC000429408180 566929243 /nfs/dbraw/zinc/92/92/43/566929243.db2.gz SCWBOLJQFBMGEU-UHFFFAOYSA-N 0 1 395.388 3.396 20 0 GGADMN CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452059483 566929314 /nfs/dbraw/zinc/92/93/14/566929314.db2.gz KPJYPDVWJLIVGE-HNNXBMFYSA-N 0 1 378.460 3.341 20 0 GGADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(F)cc(Br)c1 ZINC000519256152 566929566 /nfs/dbraw/zinc/92/95/66/566929566.db2.gz VINAEWLMIPGHQM-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc(F)cc(Br)c1 ZINC000519256152 566929576 /nfs/dbraw/zinc/92/95/76/566929576.db2.gz VINAEWLMIPGHQM-UHFFFAOYSA-N 0 1 393.191 3.442 20 0 GGADMN CCc1ccc(CNC(=O)CN[C@@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452062565 566930192 /nfs/dbraw/zinc/93/01/92/566930192.db2.gz SXPWYCSRIHVKNC-SFHVURJKSA-N 0 1 378.563 3.482 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1ccc(Br)c2c1OCCC2 ZINC000429428541 566930816 /nfs/dbraw/zinc/93/08/16/566930816.db2.gz PICXHOCZXKYVBD-UHFFFAOYSA-N 0 1 378.270 3.168 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000544035148 566931827 /nfs/dbraw/zinc/93/18/27/566931827.db2.gz ZKDAFBKKWRYXHX-RDTXWAMCSA-N 0 1 395.341 3.375 20 0 GGADMN C[C@H]1CC[N@@H+](C)CCN1Cc1c(Br)cncc1Br ZINC000583235487 566932311 /nfs/dbraw/zinc/93/23/11/566932311.db2.gz HANIKJUYNATNQB-JTQLQIEISA-N 0 1 377.124 3.133 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492334627 566932619 /nfs/dbraw/zinc/93/26/19/566932619.db2.gz OWHMTMWWNHGCKV-KSFYIVLOSA-N 0 1 386.286 3.149 20 0 GGADMN COCCS(=O)(=O)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000429454241 566932639 /nfs/dbraw/zinc/93/26/39/566932639.db2.gz OMGOVJVORNHCES-GOSISDBHSA-N 0 1 377.531 3.433 20 0 GGADMN CC(C)S(=O)(=O)CCC[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000563965568 566933088 /nfs/dbraw/zinc/93/30/88/566933088.db2.gz BBMFIJCAGRHFMS-UHFFFAOYSA-N 0 1 396.336 3.136 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000452091074 566933168 /nfs/dbraw/zinc/93/31/68/566933168.db2.gz AVRVVJPRJUPQAD-LLVKDONJSA-N 0 1 382.860 3.045 20 0 GGADMN Cc1cc(CNC(=O)N2CC=C(c3cccc(Br)c3)CC2)n[nH]1 ZINC000680814475 566933732 /nfs/dbraw/zinc/93/37/32/566933732.db2.gz YSNGPJLYPBXBSC-UHFFFAOYSA-N 0 1 375.270 3.480 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000519334799 566934077 /nfs/dbraw/zinc/93/40/77/566934077.db2.gz LHYYJZCDPULXNS-CHWSQXEVSA-N 0 1 397.313 3.312 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(I)c(C)n3)c2[nH]1 ZINC000429496380 566934167 /nfs/dbraw/zinc/93/41/67/566934167.db2.gz XVWHEERKRVDDAG-UHFFFAOYSA-N 0 1 392.200 3.432 20 0 GGADMN COC(=O)c1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1F ZINC000611682451 566934065 /nfs/dbraw/zinc/93/40/65/566934065.db2.gz SOZVIHVZTMHMJD-MRXNPFEDSA-N 0 1 382.229 3.198 20 0 GGADMN CC(C)(C)OC(=O)CNC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000544071697 566934342 /nfs/dbraw/zinc/93/43/42/566934342.db2.gz LUHOIUUHKAAYDF-UHFFFAOYSA-N 0 1 375.296 3.276 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cncc(Br)c1 ZINC000583274684 566934751 /nfs/dbraw/zinc/93/47/51/566934751.db2.gz KWSRCBYGKXXWMT-MLGOLLRUSA-N 0 1 390.281 3.135 20 0 GGADMN NC(=O)[C@@H](NCCc1ccc(F)c(F)c1F)c1ccc(Br)cc1 ZINC000544069393 566934747 /nfs/dbraw/zinc/93/47/47/566934747.db2.gz PWVXJXPBSIHJAL-HNNXBMFYSA-N 0 1 387.199 3.225 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000611725197 566935090 /nfs/dbraw/zinc/93/50/90/566935090.db2.gz VHKCKTQJFQJHMB-INIZCTEOSA-N 0 1 388.339 3.492 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000564000086 566935448 /nfs/dbraw/zinc/93/54/48/566935448.db2.gz SMXWAKSXKCABMY-RYUDHWBXSA-N 0 1 385.302 3.021 20 0 GGADMN COc1ccc(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)c(Cl)c1Cl ZINC000452099590 566935465 /nfs/dbraw/zinc/93/54/65/566935465.db2.gz CPQCZPXDPWYZIY-NSHDSACASA-N 0 1 381.325 3.105 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000564000087 566935918 /nfs/dbraw/zinc/93/59/18/566935918.db2.gz SMXWAKSXKCABMY-TXEJJXNPSA-N 0 1 385.302 3.021 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000471196960 566936281 /nfs/dbraw/zinc/93/62/81/566936281.db2.gz YNJBEADIKRGDPK-LBPRGKRZSA-N 0 1 385.331 3.333 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000471193120 566936311 /nfs/dbraw/zinc/93/63/11/566936311.db2.gz DHUJBLMTECPNIG-OAHLLOKOSA-N 0 1 388.737 3.313 20 0 GGADMN Cc1nc2c(n1C[C@H](O)COc1cc(F)cc(Br)c1)CCCC2 ZINC000656703033 566936407 /nfs/dbraw/zinc/93/64/07/566936407.db2.gz JTFGXGFTEKCIBU-AWEZNQCLSA-N 0 1 383.261 3.412 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000452102290 566936621 /nfs/dbraw/zinc/93/66/21/566936621.db2.gz IAMGWXOWAAAALF-GFCCVEGCSA-N 0 1 395.750 3.206 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Br)N(C)CCCNC(=O)C1CCC1 ZINC000429552542 566936810 /nfs/dbraw/zinc/93/68/10/566936810.db2.gz YGEDSQYLYRZKHV-ZDUSSCGKSA-N 0 1 396.329 3.014 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(Br)s1 ZINC000471213579 566937621 /nfs/dbraw/zinc/93/76/21/566937621.db2.gz SPNYUTWAYJWLIW-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000544094862 566937697 /nfs/dbraw/zinc/93/76/97/566937697.db2.gz FIXWCCVMPPFQEW-UHFFFAOYSA-N 0 1 377.857 3.375 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000452109655 566937928 /nfs/dbraw/zinc/93/79/28/566937928.db2.gz YXTPNVMAORLCOX-LBPRGKRZSA-N 0 1 395.750 3.206 20 0 GGADMN Cc1cc(C)c(Br)c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000680867095 566938373 /nfs/dbraw/zinc/93/83/73/566938373.db2.gz UVUJCHNLDYSPRA-MRXNPFEDSA-N 0 1 395.341 3.393 20 0 GGADMN O[C@H](COC[C@H]1CCCO1)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000519410980 566939202 /nfs/dbraw/zinc/93/92/02/566939202.db2.gz KPKYIIPPGOCFSS-RCCFBDPRSA-N 0 1 384.314 3.143 20 0 GGADMN O=C([O-])C[N@@H+](CCOc1cccc(Br)c1)CCc1ccccc1 ZINC000564049820 566939403 /nfs/dbraw/zinc/93/94/03/566939403.db2.gz UGYGKNATYPKFFI-UHFFFAOYSA-N 0 1 378.266 3.457 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000544117513 566940305 /nfs/dbraw/zinc/94/03/05/566940305.db2.gz NDICAZVUQMKXDT-GOMXZESMSA-N 0 1 376.806 3.389 20 0 GGADMN CC(=O)Nc1ncc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)s1 ZINC000564058784 566940418 /nfs/dbraw/zinc/94/04/18/566940418.db2.gz DTJTUZBATCPNQA-UHFFFAOYSA-N 0 1 383.348 3.060 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1 ZINC000564055893 566940617 /nfs/dbraw/zinc/94/06/17/566940617.db2.gz NCGLMJRHASEFGN-UHFFFAOYSA-N 0 1 396.515 3.281 20 0 GGADMN C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])C[C@@H](C)C1 ZINC000452130677 566941653 /nfs/dbraw/zinc/94/16/53/566941653.db2.gz ZYAGWOWKQVENDA-ZIBATOQPSA-N 0 1 385.277 3.096 20 0 GGADMN CC[C@H](C(=O)NCc1cc(Br)ccn1)N(C)Cc1ccccc1 ZINC000452138102 566941717 /nfs/dbraw/zinc/94/17/17/566941717.db2.gz BRHHKSDKSWNPGB-QGZVFWFLSA-N 0 1 376.298 3.371 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000544125322 566942569 /nfs/dbraw/zinc/94/25/69/566942569.db2.gz HGBOPQDLJRBCAR-NWDGAFQWSA-N 0 1 375.296 3.444 20 0 GGADMN COC(=O)c1ccccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000544147984 566943166 /nfs/dbraw/zinc/94/31/66/566943166.db2.gz RTMNOUOVOMWEEU-UHFFFAOYSA-N 0 1 378.270 3.269 20 0 GGADMN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cc(Cl)c3[O-])C2)C1 ZINC000452146188 566943636 /nfs/dbraw/zinc/94/36/36/566943636.db2.gz FRSCKIILUJAPSB-INIZCTEOSA-N 0 1 387.705 3.366 20 0 GGADMN COC(=O)C[C@@](C)(NCCOc1ccccc1Br)c1ccccn1 ZINC000429684100 566944256 /nfs/dbraw/zinc/94/42/56/566944256.db2.gz JSBYZYGRGFYATC-GOSISDBHSA-N 0 1 393.281 3.291 20 0 GGADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000656738702 566944709 /nfs/dbraw/zinc/94/47/09/566944709.db2.gz LECHFPQPDYUTDR-UHFFFAOYSA-N 0 1 386.271 3.249 20 0 GGADMN CCc1cc(Br)c(C)nc1NS(=O)(=O)C[C@H](OC)C(C)C ZINC000656737322 566944744 /nfs/dbraw/zinc/94/47/44/566944744.db2.gz ASMSXOIXYNQDNS-ZDUSSCGKSA-N 0 1 379.320 3.128 20 0 GGADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Br)c3[O-])C2)C1 ZINC000452158518 566945025 /nfs/dbraw/zinc/94/50/25/566945025.db2.gz ZWCSMHULWCRQCO-MRXNPFEDSA-N 0 1 387.705 3.366 20 0 GGADMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1ccccc1I ZINC000611939731 566945115 /nfs/dbraw/zinc/94/51/15/566945115.db2.gz MMEBCVLQAMLNPE-GFCCVEGCSA-N 0 1 395.244 3.284 20 0 GGADMN CCc1cnc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)s1 ZINC000544173151 566945598 /nfs/dbraw/zinc/94/55/98/566945598.db2.gz INZSAKPQTUSQCD-UHFFFAOYSA-N 0 1 399.607 3.274 20 0 GGADMN CCN1CCN([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C[C@H]1C ZINC000680985670 566945688 /nfs/dbraw/zinc/94/56/88/566945688.db2.gz MPBDQRPHRGXIRN-QAPCUYQASA-N 0 1 394.357 3.279 20 0 GGADMN O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC000564116625 566946492 /nfs/dbraw/zinc/94/64/92/566946492.db2.gz FFCIBBMEABQGNO-CQSZACIVSA-N 0 1 388.917 3.484 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452168719 566946324 /nfs/dbraw/zinc/94/63/24/566946324.db2.gz DQGFVXWCNFLIAV-SNVBAGLBSA-N 0 1 387.343 3.384 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2c(C)cnn2CC)cc1Br ZINC000656741672 566946757 /nfs/dbraw/zinc/94/67/57/566946757.db2.gz LXLZZNFGYRTSKU-UHFFFAOYSA-N 0 1 388.287 3.173 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cc(Br)cc2cccnc21)C[C@@H]1CCCO1 ZINC000519547806 566946799 /nfs/dbraw/zinc/94/67/99/566946799.db2.gz MSXCUHKOFIWYIE-INIZCTEOSA-N 0 1 393.281 3.453 20 0 GGADMN CC[C@@H](NCc1cnc2c(C)cc(Br)cn12)[C@H](O)C(F)(F)F ZINC000544179451 566947113 /nfs/dbraw/zinc/94/71/13/566947113.db2.gz SLXXXGPOMWUSDX-NEPJUHHUSA-N 0 1 380.208 3.197 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)CCC[N@H+]1C ZINC000471313639 566947418 /nfs/dbraw/zinc/94/74/18/566947418.db2.gz HVJMASNYXKHCKJ-RNCFNFMXSA-N 0 1 383.880 3.024 20 0 GGADMN O[C@@H]([C@H](Cc1ccccc1)NCc1cncc(Br)c1)C(F)(F)F ZINC000681007317 566947665 /nfs/dbraw/zinc/94/76/65/566947665.db2.gz KMKNCIXMTVMKPG-GJZGRUSLSA-N 0 1 389.215 3.468 20 0 GGADMN C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583387075 566947740 /nfs/dbraw/zinc/94/77/40/566947740.db2.gz XWFNNMQGNFDCDX-BXUZGUMPSA-N 0 1 379.258 3.137 20 0 GGADMN C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583387075 566947743 /nfs/dbraw/zinc/94/77/43/566947743.db2.gz XWFNNMQGNFDCDX-BXUZGUMPSA-N 0 1 379.258 3.137 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCSCC1 ZINC000493457786 566947822 /nfs/dbraw/zinc/94/78/22/566947822.db2.gz BJYHSTXDLAJXLF-UHFFFAOYSA-N 0 1 381.973 3.112 20 0 GGADMN CCc1nc(CNC(=O)CCCSc2ccc(Br)cc2)n[nH]1 ZINC000452182206 566948667 /nfs/dbraw/zinc/94/86/67/566948667.db2.gz NVECEDLZWURYDL-UHFFFAOYSA-N 0 1 383.315 3.318 20 0 GGADMN COC(=O)c1ccc(CNCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000583431637 566950462 /nfs/dbraw/zinc/95/04/62/566950462.db2.gz RJEWOYBBUOBWIM-UHFFFAOYSA-N 0 1 391.265 3.272 20 0 GGADMN CN(C[C@@H]1CCOc2ccccc21)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000681081570 566950402 /nfs/dbraw/zinc/95/04/02/566950402.db2.gz GMYSWJSITFEGDR-KSSFIOAISA-N 0 1 389.293 3.474 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000519584071 566950494 /nfs/dbraw/zinc/95/04/94/566950494.db2.gz BFVUXNRRHNCGEJ-LLVKDONJSA-N 0 1 396.314 3.337 20 0 GGADMN Cc1c2cc(C(=O)N3CCC(c4nc[nH]n4)CC3)[nH]c2ccc1Br ZINC000612076348 566950893 /nfs/dbraw/zinc/95/08/93/566950893.db2.gz KZELAXJIYNBHSH-UHFFFAOYSA-N 0 1 388.269 3.377 20 0 GGADMN CN1CC=C(CNS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1 ZINC000493575738 566950989 /nfs/dbraw/zinc/95/09/89/566950989.db2.gz VSZIRSNWIYULFU-UHFFFAOYSA-N 0 1 384.929 3.059 20 0 GGADMN C[C@@]1(F)CCCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000452211409 566951931 /nfs/dbraw/zinc/95/19/31/566951931.db2.gz ZJKDNMNIVFSOEG-CQSZACIVSA-N 0 1 387.196 3.132 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000681130609 566952087 /nfs/dbraw/zinc/95/20/87/566952087.db2.gz ZBDGGUFCGJTOMU-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN Nc1c(Br)cc(Br)cc1CN1CCc2cn[nH]c2C1 ZINC000681110988 566952299 /nfs/dbraw/zinc/95/22/99/566952299.db2.gz CPOHVMAXOBTFRO-UHFFFAOYSA-N 0 1 386.091 3.075 20 0 GGADMN O=C(Cc1cccc(Cl)c1)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000681126059 566952709 /nfs/dbraw/zinc/95/27/09/566952709.db2.gz RFEAWCCKQZFOLG-HNNXBMFYSA-N 0 1 380.210 3.094 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CN1C1CC1 ZINC000612103548 566953173 /nfs/dbraw/zinc/95/31/73/566953173.db2.gz JAEHAGJVAVMXGF-SMDDNHRTSA-N 0 1 390.281 3.459 20 0 GGADMN CCC[C@]1(CO)CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000564192807 566953334 /nfs/dbraw/zinc/95/33/34/566953334.db2.gz FKDANOIZFGQNJI-KDOFPFPSSA-N 0 1 383.330 3.111 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)no2)CN1C1CC1 ZINC000612104723 566953383 /nfs/dbraw/zinc/95/33/83/566953383.db2.gz PCWDUGVJSDRWRJ-BXUZGUMPSA-N 0 1 390.281 3.459 20 0 GGADMN O=C(CCc1cnc[nH]1)N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000493685752 566953615 /nfs/dbraw/zinc/95/36/15/566953615.db2.gz JATRGIOHEKLLSS-UHFFFAOYSA-N 0 1 394.660 3.209 20 0 GGADMN Cc1[nH]c2nc(S(=O)(=O)C[C@H]3CCC(F)(F)C3)nc-2cc1Br ZINC000583482060 566954684 /nfs/dbraw/zinc/95/46/84/566954684.db2.gz AFMJANKIUZHTOI-QMMMGPOBSA-N 0 1 394.241 3.238 20 0 GGADMN Cc1[nH]c2nc(S(=O)(=O)C[C@@H]3CCC(F)(F)C3)nc-2cc1Br ZINC000583482059 566954754 /nfs/dbraw/zinc/95/47/54/566954754.db2.gz AFMJANKIUZHTOI-MRVPVSSYSA-N 0 1 394.241 3.238 20 0 GGADMN COC(=O)c1cc(CNC[C@@H](O)COc2c(Cl)cccc2Cl)oc1C ZINC000564202724 566955379 /nfs/dbraw/zinc/95/53/79/566955379.db2.gz XSTNJNQFBGZQBJ-LLVKDONJSA-N 0 1 388.247 3.211 20 0 GGADMN COC(=O)[C@@H]1CC12CCN(Cc1cnc3c(C)cc(Br)cn13)CC2 ZINC000544347546 566955814 /nfs/dbraw/zinc/95/58/14/566955814.db2.gz ZACJEFJEPMIXLU-HNNXBMFYSA-N 0 1 392.297 3.180 20 0 GGADMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429844675 566956218 /nfs/dbraw/zinc/95/62/18/566956218.db2.gz MAEUXBVJNIPYIR-UHFFFAOYSA-N 0 1 395.352 3.161 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H]1c1ccccc1I)N1CC(C)C1 ZINC000564225104 566956295 /nfs/dbraw/zinc/95/62/95/566956295.db2.gz WJMJRBNNPWISLE-XJKSGUPXSA-N 0 1 398.288 3.295 20 0 GGADMN CCCOc1c(Br)cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OC ZINC000544368906 566957461 /nfs/dbraw/zinc/95/74/61/566957461.db2.gz BXLMXDLOQMUROW-OFQRWUPVSA-N 0 1 384.314 3.449 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2cc(Br)cc(N(C)C)c2)n[nH]1 ZINC000493823713 566957453 /nfs/dbraw/zinc/95/74/53/566957453.db2.gz ZLWHFIXDMLRCJV-JTQLQIEISA-N 0 1 380.290 3.248 20 0 GGADMN COCC[C@H](Cc1ccco1)NCc1cc(O)c(OC)cc1Br ZINC000544367937 566957616 /nfs/dbraw/zinc/95/76/16/566957616.db2.gz CMUBSFZUBATJPW-CYBMUJFWSA-N 0 1 384.270 3.494 20 0 GGADMN COCC[C@@H](Cc1ccco1)NCc1cc(O)c(OC)cc1Br ZINC000544367941 566957893 /nfs/dbraw/zinc/95/78/93/566957893.db2.gz CMUBSFZUBATJPW-ZDUSSCGKSA-N 0 1 384.270 3.494 20 0 GGADMN CCCOc1c(Br)cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1OC ZINC000544368905 566958030 /nfs/dbraw/zinc/95/80/30/566958030.db2.gz BXLMXDLOQMUROW-LZWOXQAQSA-N 0 1 384.314 3.449 20 0 GGADMN COC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c(Br)c2)n1 ZINC000519683042 566958079 /nfs/dbraw/zinc/95/80/79/566958079.db2.gz IMJHSRKFHFNZQX-LLVKDONJSA-N 0 1 379.254 3.490 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000583507483 566958378 /nfs/dbraw/zinc/95/83/78/566958378.db2.gz RKLXOFIONCHJDW-FHLIZLRMSA-N 0 1 386.330 3.246 20 0 GGADMN CN(CCN(C)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C1CC1 ZINC000493892385 566958944 /nfs/dbraw/zinc/95/89/44/566958944.db2.gz VSGQGJHOBXRZLG-UHFFFAOYSA-N 0 1 386.945 3.234 20 0 GGADMN CO[C@@H](CS(=O)(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000656864138 566959303 /nfs/dbraw/zinc/95/93/03/566959303.db2.gz XADHVPOSIBAYMG-SJORKVTESA-N 0 1 386.583 3.010 20 0 GGADMN CCN(CCOc1ccc(Br)cc1)C(=O)CCCCc1cn[nH]n1 ZINC000544395164 566959343 /nfs/dbraw/zinc/95/93/43/566959343.db2.gz JBDAQKANZVMWBC-UHFFFAOYSA-N 0 1 395.301 3.208 20 0 GGADMN COc1cnc(NS(=O)(=O)c2cc(F)c(C)cc2F)c(Br)c1 ZINC000583529068 566959882 /nfs/dbraw/zinc/95/98/82/566959882.db2.gz XGCZUOSRGGNCQR-UHFFFAOYSA-N 0 1 393.209 3.240 20 0 GGADMN CCC[C@H](C)S(=O)(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000519708578 566960403 /nfs/dbraw/zinc/96/04/03/566960403.db2.gz OZBOMUGCWJJRQE-HNNXBMFYSA-N 0 1 388.961 3.291 20 0 GGADMN C[C@]1(CO)CCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000544405937 566960766 /nfs/dbraw/zinc/96/07/66/566960766.db2.gz XYDBBMISVLAIDE-QWHCGFSZSA-N 0 1 378.108 3.247 20 0 GGADMN O=C(COc1ccc(Br)cc1F)Nc1cccc(-c2cn[nH]n2)c1 ZINC000544398378 566961546 /nfs/dbraw/zinc/96/15/46/566961546.db2.gz BUPUHYOVRUUFHB-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CCC(C)(C)O ZINC000583548953 566962019 /nfs/dbraw/zinc/96/20/19/566962019.db2.gz SHZYLUYTPZITAJ-ZDUSSCGKSA-N 0 1 398.345 3.079 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccsc1 ZINC000429877523 566962602 /nfs/dbraw/zinc/96/26/02/566962602.db2.gz LVURFALZWILNDT-GFCCVEGCSA-N 0 1 380.274 3.248 20 0 GGADMN CCCCc1nnc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000583562426 566962875 /nfs/dbraw/zinc/96/28/75/566962875.db2.gz SRPADZAMOYIIMO-OAHLLOKOSA-N 0 1 383.315 3.456 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H]1N1CCCC1 ZINC000429882362 566963052 /nfs/dbraw/zinc/96/30/52/566963052.db2.gz SWXYDXDODUBSOP-KGLIPLIRSA-N 0 1 395.377 3.194 20 0 GGADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC000583570528 566963686 /nfs/dbraw/zinc/96/36/86/566963686.db2.gz VNAQTHUOIDYGFN-QGZVFWFLSA-N 0 1 380.286 3.269 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000612303151 566963683 /nfs/dbraw/zinc/96/36/83/566963683.db2.gz FTXOLCHJWPPQKL-BZNIZROVSA-N 0 1 390.281 3.317 20 0 GGADMN O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc(Br)c(O)c1 ZINC000493947523 566964133 /nfs/dbraw/zinc/96/41/33/566964133.db2.gz VEPPBQOYYVNPFV-UHFFFAOYSA-N 0 1 382.161 3.363 20 0 GGADMN Cc1ccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c2n[nH]cc21 ZINC000493956957 566964368 /nfs/dbraw/zinc/96/43/68/566964368.db2.gz FLTORDMNDQWNIP-UHFFFAOYSA-N 0 1 378.841 3.149 20 0 GGADMN CC[C@@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 ZINC000544452701 566964674 /nfs/dbraw/zinc/96/46/74/566964674.db2.gz WLIGBBPKBJIMAU-CHWSQXEVSA-N 0 1 380.897 3.398 20 0 GGADMN O=S(=O)(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1O ZINC000656884391 566964951 /nfs/dbraw/zinc/96/49/51/566964951.db2.gz RRBZJDNDWVUZGO-UHFFFAOYSA-N 0 1 381.881 3.072 20 0 GGADMN O=C(NC[C@H]1CCCN1CCCO)c1cc2ccc(Br)cc2s1 ZINC000452343169 566964931 /nfs/dbraw/zinc/96/49/31/566964931.db2.gz KGYIZBUKIZSKPL-CQSZACIVSA-N 0 1 397.338 3.240 20 0 GGADMN O=S(=O)(c1ccccc1O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000656882501 566964964 /nfs/dbraw/zinc/96/49/64/566964964.db2.gz GWUGXRHONRSTOR-DTORHVGOSA-N 0 1 377.306 3.144 20 0 GGADMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429910656 566965537 /nfs/dbraw/zinc/96/55/37/566965537.db2.gz TVMKQDNKPCUBIA-NSHDSACASA-N 0 1 395.750 3.255 20 0 GGADMN CN1CCC[C@]2(CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)C1 ZINC000583578618 566965806 /nfs/dbraw/zinc/96/58/06/566965806.db2.gz ZZLZESYZEGJRKH-KRWDZBQOSA-N 0 1 391.364 3.185 20 0 GGADMN COCC[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1ccc(C)o1 ZINC000544473026 566965904 /nfs/dbraw/zinc/96/59/04/566965904.db2.gz FBBRBFUSZFXYRA-WBVHZDCISA-N 0 1 398.297 3.458 20 0 GGADMN CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000612356711 566967024 /nfs/dbraw/zinc/96/70/24/566967024.db2.gz VMQMWMUDUVOEFG-CHWSQXEVSA-N 0 1 377.286 3.125 20 0 GGADMN Cc1nc(CS(=O)(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cs1 ZINC000681310789 566967666 /nfs/dbraw/zinc/96/76/66/566967666.db2.gz FBOFJUVCQAOTOC-MRXNPFEDSA-N 0 1 399.607 3.406 20 0 GGADMN Cc1noc(CCCN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)n1 ZINC000544516484 566967961 /nfs/dbraw/zinc/96/79/61/566967961.db2.gz FKBKFRWHHXQUJV-SNVBAGLBSA-N 0 1 392.257 3.474 20 0 GGADMN COCCN(Cc1ccc(Br)s1)C[C@@H](O)CC(F)(F)F ZINC000494005666 566968171 /nfs/dbraw/zinc/96/81/71/566968171.db2.gz BQDIAXVAAKDHRT-VIFPVBQESA-N 0 1 376.238 3.272 20 0 GGADMN Cc1noc(CCCN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)n1 ZINC000544516483 566968267 /nfs/dbraw/zinc/96/82/67/566968267.db2.gz FKBKFRWHHXQUJV-JTQLQIEISA-N 0 1 392.257 3.474 20 0 GGADMN C[C@@H](C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C)c1ccc(Cl)s1 ZINC000633542211 566968646 /nfs/dbraw/zinc/96/86/46/566968646.db2.gz VAHSTRGASGEZJC-HWPZZCPQSA-N 0 1 375.885 3.136 20 0 GGADMN CC[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccn(C)n1 ZINC000544570306 566968799 /nfs/dbraw/zinc/96/87/99/566968799.db2.gz OQZOHIUJOLSMIM-MRXNPFEDSA-N 0 1 393.329 3.272 20 0 GGADMN C[C@H](C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C)c1ccc(Cl)s1 ZINC000633542212 566969019 /nfs/dbraw/zinc/96/90/19/566969019.db2.gz VAHSTRGASGEZJC-MGPLVRAMSA-N 0 1 375.885 3.136 20 0 GGADMN CCN(CC)[C@H](C(=O)N(C)CCn1cc(Br)cn1)c1ccccc1 ZINC000564372927 566969423 /nfs/dbraw/zinc/96/94/23/566969423.db2.gz WQJRQEMWAGCIDY-KRWDZBQOSA-N 0 1 393.329 3.187 20 0 GGADMN O=C(Cc1c(Cl)cccc1Cl)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633525036 566969666 /nfs/dbraw/zinc/96/96/66/566969666.db2.gz UMRKTKTXNGDDPV-UHFFFAOYSA-N 0 1 380.275 3.350 20 0 GGADMN COc1ccc(Br)c(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 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O=C(N[C@H]1CCCN(CCCO)C1)c1csc(-c2ccccc2Cl)n1 ZINC000452372509 566971791 /nfs/dbraw/zinc/97/17/91/566971791.db2.gz CZYGLLOUTJVGOU-ZDUSSCGKSA-N 0 1 379.913 3.040 20 0 GGADMN CCC1CCN(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000656920783 566973428 /nfs/dbraw/zinc/97/34/28/566973428.db2.gz WOKWWWWKHNVMGA-AEFFLSMTSA-N 0 1 385.599 3.087 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000519831944 566973670 /nfs/dbraw/zinc/97/36/70/566973670.db2.gz GXPZBMOCIARWOZ-INIZCTEOSA-N 0 1 396.329 3.476 20 0 GGADMN C[C@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCCCO1 ZINC000681395624 566973717 /nfs/dbraw/zinc/97/37/17/566973717.db2.gz HTKLUYCUAGBYGE-NILFDRSVSA-N 0 1 388.327 3.215 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000519831956 566973807 /nfs/dbraw/zinc/97/38/07/566973807.db2.gz GXPZBMOCIARWOZ-MRXNPFEDSA-N 0 1 396.329 3.476 20 0 GGADMN O=S1(=O)CC[C@@H](N[C@H]2CCC(F)(F)C2)c2cc(Br)ccc21 ZINC000681396252 566973764 /nfs/dbraw/zinc/97/37/64/566973764.db2.gz 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567040343 /nfs/dbraw/zinc/04/03/43/567040343.db2.gz DNMMXADWUVKUEU-DOMZBBRYSA-N 0 1 377.286 3.406 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2cccc(C(=O)OC)c2Br)C[C@@H]1C ZINC000495015971 567040690 /nfs/dbraw/zinc/04/06/90/567040690.db2.gz HXKGJNVQTYZXNF-RYUDHWBXSA-N 0 1 398.301 3.182 20 0 GGADMN C[C@]1(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)OCCc2sccc21 ZINC000521120679 567041724 /nfs/dbraw/zinc/04/17/24/567041724.db2.gz FRIKSJWDTYPSQB-OAHLLOKOSA-N 0 1 393.864 3.446 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000584421820 567041662 /nfs/dbraw/zinc/04/16/62/567041662.db2.gz FILPUMMJUHGXGH-UHFFFAOYSA-N 0 1 388.827 3.017 20 0 GGADMN CN(C)[C@H](CN1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C1=O)c1cccs1 ZINC000430951006 567041929 /nfs/dbraw/zinc/04/19/29/567041929.db2.gz JSDJCDGXXYYPDH-HIFRSBDPSA-N 0 1 381.860 3.436 20 0 GGADMN CN(C)C(=O)c1cccc(CNCc2cccc(I)c2)c1 ZINC000565142526 567042370 /nfs/dbraw/zinc/04/23/70/567042370.db2.gz RERFQAILFAWLRS-UHFFFAOYSA-N 0 1 394.256 3.283 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000584416135 567042361 /nfs/dbraw/zinc/04/23/61/567042361.db2.gz NZIVGFHDRVTHQG-OAHLLOKOSA-N 0 1 384.259 3.320 20 0 GGADMN CN(C)[C@@H](CN1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C1=O)c1cccs1 ZINC000430950905 567042451 /nfs/dbraw/zinc/04/24/51/567042451.db2.gz JSDJCDGXXYYPDH-DZGCQCFKSA-N 0 1 381.860 3.436 20 0 GGADMN O=c1c2c([n-]n1-c1cncc(Br)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000634621006 567042780 /nfs/dbraw/zinc/04/27/80/567042780.db2.gz WPBKSNJIILVLCO-MRXNPFEDSA-N 0 1 385.265 3.069 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c[nH]1 ZINC000682414801 567042865 /nfs/dbraw/zinc/04/28/65/567042865.db2.gz ODKVXDXDGNVSGC-UHFFFAOYSA-N 0 1 380.214 3.375 20 0 GGADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000472628063 567043493 /nfs/dbraw/zinc/04/34/93/567043493.db2.gz QLWBYDVSVJSUAS-GFCCVEGCSA-N 0 1 395.750 3.254 20 0 GGADMN COC(=O)c1cccc(NC(=O)N2CCN(C)[C@H](C(C)C)C2)c1Br ZINC000495060320 567043520 /nfs/dbraw/zinc/04/35/20/567043520.db2.gz QTFRNRACTVWROJ-AWEZNQCLSA-N 0 1 398.301 3.040 20 0 GGADMN COCC(=O)Nc1cccc(CNCc2cncc(Br)c2C)c1 ZINC000657298057 567044094 /nfs/dbraw/zinc/04/40/94/567044094.db2.gz OMOFTTNHHYUSOE-UHFFFAOYSA-N 0 1 378.270 3.027 20 0 GGADMN CC(C)(C)c1nc(CS(=O)(=O)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000430979743 567044476 /nfs/dbraw/zinc/04/44/76/567044476.db2.gz WTMPECDCVYLDFT-UHFFFAOYSA-N 0 1 390.278 3.119 20 0 GGADMN Cc1c(Br)cncc1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000657298436 567044508 /nfs/dbraw/zinc/04/45/08/567044508.db2.gz UKYJSPBJVRMSKZ-LJQANCHMSA-N 0 1 390.325 3.316 20 0 GGADMN CCc1nnc(C)cc1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000545375616 567044673 /nfs/dbraw/zinc/04/46/73/567044673.db2.gz FAIKPACPECSSHX-UHFFFAOYSA-N 0 1 387.241 3.147 20 0 GGADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000521169398 567045122 /nfs/dbraw/zinc/04/51/22/567045122.db2.gz RKAKQCKHYLKSMU-LBPRGKRZSA-N 0 1 395.750 3.255 20 0 GGADMN Cc1c(Br)cncc1CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000657298434 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C[C@]1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCS1 ZINC000584514621 567048671 /nfs/dbraw/zinc/04/86/71/567048671.db2.gz AERYILVTJUJQIY-OAHLLOKOSA-N 0 1 383.315 3.410 20 0 GGADMN Cc1cc(C(=O)N2CCN(C)CC[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000431037096 567048840 /nfs/dbraw/zinc/04/88/40/567048840.db2.gz LGGVTRKNHLYDHN-CYBMUJFWSA-N 0 1 391.313 3.109 20 0 GGADMN CC(C)(CNC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000584514162 567048880 /nfs/dbraw/zinc/04/88/80/567048880.db2.gz LVEKVLILICQCBZ-UHFFFAOYSA-N 0 1 392.301 3.222 20 0 GGADMN CCCN1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000521202736 567049171 /nfs/dbraw/zinc/04/91/71/567049171.db2.gz XGHWMLIYICRWLE-UHFFFAOYSA-N 0 1 375.694 3.036 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1csnn1 ZINC000521209520 567049229 /nfs/dbraw/zinc/04/92/29/567049229.db2.gz QPFUOTIELKAHRN-WBMJQRKESA-N 0 1 379.917 3.389 20 0 GGADMN Cc1cc(Br)cn2cc(CNC(=O)c3n[nH]c4ccccc43)nc12 ZINC000545406236 567049569 /nfs/dbraw/zinc/04/95/69/567049569.db2.gz GAABVHZNQQYYPV-UHFFFAOYSA-N 0 1 384.237 3.212 20 0 GGADMN Cc1ncc(CNCc2cc(Cl)cc(I)c2)n1C ZINC000565242450 567050519 /nfs/dbraw/zinc/05/05/19/567050519.db2.gz OANIDYSEPOIKMO-UHFFFAOYSA-N 0 1 375.641 3.276 20 0 GGADMN Cc1cc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252755 567051556 /nfs/dbraw/zinc/05/15/56/567051556.db2.gz CXOUUSSSJSDFIX-XJKSGUPXSA-N 0 1 387.929 3.014 20 0 GGADMN Cc1c(Br)cncc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000657359615 567051854 /nfs/dbraw/zinc/05/18/54/567051854.db2.gz XGMVBCRGLCKQEW-UHFFFAOYSA-N 0 1 392.297 3.395 20 0 GGADMN O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)[C@H]1CCCc2n[nH]nc21 ZINC000613638567 567051980 /nfs/dbraw/zinc/05/19/80/567051980.db2.gz WLUICEPDJPDSCX-ZFWWWQNUSA-N 0 1 393.260 3.394 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(I)cc1Cl)C1CCC1 ZINC000565254316 567052121 /nfs/dbraw/zinc/05/21/21/567052121.db2.gz NNFAKHLRDKJUSP-UHFFFAOYSA-N 0 1 379.625 3.384 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(F)cc2O)c1 ZINC000545446880 567053046 /nfs/dbraw/zinc/05/30/46/567053046.db2.gz YIFGEYNORZJAMO-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)c(I)c1 ZINC000453089718 567053240 /nfs/dbraw/zinc/05/32/40/567053240.db2.gz RXBGOMKLIDEOQE-ZJUUUORDSA-N 0 1 392.256 3.384 20 0 GGADMN CC1(C)CO[C@H](C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000634692585 567054155 /nfs/dbraw/zinc/05/41/55/567054155.db2.gz DHHPZODPWXOESC-HRCADAONSA-N 0 1 382.298 3.364 20 0 GGADMN CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1cncc(Br)c1C ZINC000657416084 567054293 /nfs/dbraw/zinc/05/42/93/567054293.db2.gz PWFNTVJELNCKQD-HNNXBMFYSA-N 0 1 397.338 3.495 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c1 ZINC000545473365 567054612 /nfs/dbraw/zinc/05/46/12/567054612.db2.gz MHXUHZBVDKLWDS-UHFFFAOYSA-N 0 1 396.266 3.145 20 0 GGADMN O[C@@H]1CCN(Cc2cn3cc(Br)ccc3n2)C[C@H]1C1CCCC1 ZINC000657388919 567054528 /nfs/dbraw/zinc/05/45/28/567054528.db2.gz TXIIEJSJYBDOFI-DLBZAZTESA-N 0 1 378.314 3.470 20 0 GGADMN NC(=O)CN(CCOc1ccc(Cl)cc1Br)C1CCCC1 ZINC000613681739 567055704 /nfs/dbraw/zinc/05/57/04/567055704.db2.gz JCARWXRDJRIKCI-UHFFFAOYSA-N 0 1 375.694 3.211 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2cncc(Br)c2C)cc1 ZINC000657430170 567055540 /nfs/dbraw/zinc/05/55/40/567055540.db2.gz YWRDIYMILRKUCF-UHFFFAOYSA-N 0 1 383.311 3.236 20 0 GGADMN Cc1ccc(CN2CC[C@@H](NCc3cncc(Br)c3C)C2=O)cc1 ZINC000657446680 567056085 /nfs/dbraw/zinc/05/60/85/567056085.db2.gz KTGARMPDOABKST-GOSISDBHSA-N 0 1 388.309 3.352 20 0 GGADMN COc1cc(CN2C[C@@H]3COC[C@@H]3C2)cc(Br)c1OC(F)F ZINC000634746553 567056717 /nfs/dbraw/zinc/05/67/17/567056717.db2.gz BAOWRCOXHYCTHI-PHIMTYICSA-N 0 1 378.213 3.137 20 0 GGADMN Cc1nc(CC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)n[nH]1 ZINC000613709914 567057311 /nfs/dbraw/zinc/05/73/11/567057311.db2.gz FXVJTCWROVGPDQ-CQSZACIVSA-N 0 1 381.249 3.215 20 0 GGADMN CC(=O)Nc1ccc(NS(=O)(=O)c2cncc(OC(C)C)c2)cc1Cl ZINC000634786170 567057637 /nfs/dbraw/zinc/05/76/37/567057637.db2.gz SFENYSRRLKCJOT-UHFFFAOYSA-N 0 1 383.857 3.281 20 0 GGADMN O=C(c1csc([C@@H]2CCCO2)n1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000584585202 567057889 /nfs/dbraw/zinc/05/78/89/567057889.db2.gz CTSXTKYYSFOHMP-CVEARBPZSA-N 0 1 377.897 3.435 20 0 GGADMN Cc1cc(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)n[nH]1 ZINC000682553159 567057808 /nfs/dbraw/zinc/05/78/08/567057808.db2.gz CRLKCGAJUSZGKQ-UHFFFAOYSA-N 0 1 378.270 3.302 20 0 GGADMN COC(=O)c1cn([C@H]2CCN(Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000545520547 567058674 /nfs/dbraw/zinc/05/86/74/567058674.db2.gz RAKWPIIYUYGTMS-NSHDSACASA-N 0 1 376.869 3.380 20 0 GGADMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC(C)C)nc2)cc1Cl ZINC000634785877 567058718 /nfs/dbraw/zinc/05/87/18/567058718.db2.gz DSURHYORCOBMMG-UHFFFAOYSA-N 0 1 383.857 3.281 20 0 GGADMN COC(=O)c1cn([C@@H]2CCN(Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000545520546 567058907 /nfs/dbraw/zinc/05/89/07/567058907.db2.gz RAKWPIIYUYGTMS-LLVKDONJSA-N 0 1 376.869 3.380 20 0 GGADMN C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Cl)cc(Br)c3F)C2)C1 ZINC000584672979 567059632 /nfs/dbraw/zinc/05/96/32/567059632.db2.gz ULEWGMCBPRZVEE-HNNXBMFYSA-N 0 1 375.669 3.409 20 0 GGADMN COc1cc(Br)c(NS(=O)(=O)c2cc(C)ns2)cc1OC ZINC000634787516 567060143 /nfs/dbraw/zinc/06/01/43/567060143.db2.gz CWDWPZXVIZMOEY-UHFFFAOYSA-N 0 1 393.284 3.032 20 0 GGADMN COC(=O)CC1(NCC(=O)Nc2ccc(Br)cc2Cl)CCC1 ZINC000495453462 567060491 /nfs/dbraw/zinc/06/04/91/567060491.db2.gz COJZJHGIRXXYQP-UHFFFAOYSA-N 0 1 389.677 3.116 20 0 GGADMN Cc1c(Br)cncc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000657472067 567060746 /nfs/dbraw/zinc/06/07/46/567060746.db2.gz HLIWBDGBHAVFJO-QGZVFWFLSA-N 0 1 376.298 3.331 20 0 GGADMN O[C@H](COc1c(Cl)cccc1Cl)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000431164966 567061276 /nfs/dbraw/zinc/06/12/76/567061276.db2.gz BJIPCHHNZRGARW-DZGCQCFKSA-N 0 1 383.275 3.281 20 0 GGADMN Cc1ncc(CN[C@H](C)c2ccc(F)c(I)c2)c(=O)[nH]1 ZINC000453190297 567061461 /nfs/dbraw/zinc/06/14/61/567061461.db2.gz FODMUENNRQJJRY-MRVPVSSYSA-N 0 1 387.196 3.085 20 0 GGADMN CS(=O)(=O)C1(c2noc(-c3ccc(Br)cc3O)n2)CCCC1 ZINC000453195206 567061662 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NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1F ZINC000682702306 567067562 /nfs/dbraw/zinc/06/75/62/567067562.db2.gz GFXXJENJYZIADV-UHFFFAOYSA-N 0 1 381.187 3.171 20 0 GGADMN COC[C@@H](NCCn1cc(Br)ccc1=O)c1cccc(Cl)c1 ZINC000453255463 567068748 /nfs/dbraw/zinc/06/87/48/567068748.db2.gz RUCXRNISBCLBFX-OAHLLOKOSA-N 0 1 385.689 3.242 20 0 GGADMN O=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(Br)c1O ZINC000521604092 567068863 /nfs/dbraw/zinc/06/88/63/567068863.db2.gz NHHJXSHKHODPON-UHFFFAOYSA-N 0 1 386.249 3.313 20 0 GGADMN Cc1ccc(F)cc1-c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000545700562 567070312 /nfs/dbraw/zinc/07/03/12/567070312.db2.gz IBJXRSWMPIDXPB-UHFFFAOYSA-N 0 1 387.845 3.378 20 0 GGADMN CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cc[nH+]c2C)nc1C ZINC000521644069 567070670 /nfs/dbraw/zinc/07/06/70/567070670.db2.gz WSUQQKYXBJSWLI-UHFFFAOYSA-N 0 1 379.873 3.160 20 0 GGADMN Cc1c([C@@H](C)NCCC(C)(C)CO)nnn1-c1cccc(Br)c1 ZINC000453275375 567071254 /nfs/dbraw/zinc/07/12/54/567071254.db2.gz LOMCZNHVEZHXNT-GFCCVEGCSA-N 0 1 381.318 3.397 20 0 GGADMN COc1ccc(CNCCNC(=O)c2ccc(Br)cn2)c(Cl)c1 ZINC000657563311 567071588 /nfs/dbraw/zinc/07/15/88/567071588.db2.gz LNRBFWRVBXSEGL-UHFFFAOYSA-N 0 1 398.688 3.026 20 0 GGADMN CC(C)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000496165259 567071839 /nfs/dbraw/zinc/07/18/39/567071839.db2.gz LLEFZHASBWGELB-UHFFFAOYSA-N 0 1 375.694 3.034 20 0 GGADMN CS(=O)(=O)Nc1cccc(CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000657587727 567072716 /nfs/dbraw/zinc/07/27/16/567072716.db2.gz WKKZQQCCFGSBBF-HNNXBMFYSA-N 0 1 380.432 3.038 20 0 GGADMN CC[C@@](C)(CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000453294415 567073192 /nfs/dbraw/zinc/07/31/92/567073192.db2.gz FNQZLDJXBMXLHK-HIFRSBDPSA-N 0 1 376.316 3.072 20 0 GGADMN CSc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000657581724 567073195 /nfs/dbraw/zinc/07/31/95/567073195.db2.gz KAZIQOHAPNVZFK-OLZOCXBDSA-N 0 1 383.945 3.237 20 0 GGADMN Cc1ccccc1OC[C@H](O)CNCc1nc2c(cccc2Br)[nH]1 ZINC000584835251 567073721 /nfs/dbraw/zinc/07/37/21/567073721.db2.gz UXQNXZMISZBWHR-CYBMUJFWSA-N 0 1 390.281 3.163 20 0 GGADMN CO[C@@](C)(CNCc1c(Br)c(C)nn1C)COCc1ccccc1 ZINC000657591497 567074432 /nfs/dbraw/zinc/07/44/32/567074432.db2.gz HZQYHEMSFGNBLJ-SFHVURJKSA-N 0 1 396.329 3.203 20 0 GGADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000521690287 567074476 /nfs/dbraw/zinc/07/44/76/567074476.db2.gz LMYWMQRQMCSMMM-INIZCTEOSA-N 0 1 376.444 3.095 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CNC/C=C\CO ZINC000657591604 567074600 /nfs/dbraw/zinc/07/46/00/567074600.db2.gz IZDOPFXXPFSYEL-ARJAWSKDSA-N 0 1 379.092 3.248 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000473361760 567074947 /nfs/dbraw/zinc/07/49/47/567074947.db2.gz KWJFOKDFBKTCSM-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN O=S(=O)(NC[C@@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1)C1CC1 ZINC000584866146 567075061 /nfs/dbraw/zinc/07/50/61/567075061.db2.gz POHGSHXUBOKPJJ-ZDUSSCGKSA-N 0 1 397.591 3.165 20 0 GGADMN CS(=O)(=O)c1ccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000657600331 567075172 /nfs/dbraw/zinc/07/51/72/567075172.db2.gz BXBYVEBBTFNTMH-GOSISDBHSA-N 0 1 383.897 3.218 20 0 GGADMN Cc1[nH+]ccn1CCCN1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000635017960 567075667 /nfs/dbraw/zinc/07/56/67/567075667.db2.gz DYRLMXDEMXVSAU-AWEZNQCLSA-N 0 1 378.270 3.423 20 0 GGADMN CN(CC(=O)NCCc1c[nH]c2cccc(Br)c12)[C@H]1CCSC1 ZINC000521702028 567075613 /nfs/dbraw/zinc/07/56/13/567075613.db2.gz OYHWXRGULWYJIU-ZDUSSCGKSA-N 0 1 396.354 3.026 20 0 GGADMN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000521693016 567075784 /nfs/dbraw/zinc/07/57/84/567075784.db2.gz YWFWBZIEIZRQTG-LBPRGKRZSA-N 0 1 394.871 3.190 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000521724051 567076034 /nfs/dbraw/zinc/07/60/34/567076034.db2.gz TYCVAEHJBKGVNW-UHFFFAOYSA-N 0 1 378.431 3.155 20 0 GGADMN Cn1cc(I)c(CN[C@H](Cc2ccccc2)C2CC2)n1 ZINC000453337747 567076534 /nfs/dbraw/zinc/07/65/34/567076534.db2.gz AYLVLSKNBUCOOX-OAHLLOKOSA-N 0 1 381.261 3.136 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000521704579 567076582 /nfs/dbraw/zinc/07/65/82/567076582.db2.gz REYSNILCSDTQTH-UHFFFAOYSA-N 0 1 382.239 3.140 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000473381618 567076621 /nfs/dbraw/zinc/07/66/21/567076621.db2.gz YAVGNVPZXNATGM-KBPBESRZSA-N 0 1 389.323 3.066 20 0 GGADMN O=C(Cc1ccccc1Br)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473373189 567077151 /nfs/dbraw/zinc/07/71/51/567077151.db2.gz LRBUWUDAUNVSAL-MRXNPFEDSA-N 0 1 385.265 3.210 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cscc1Cl ZINC000635024891 567078129 /nfs/dbraw/zinc/07/81/29/567078129.db2.gz ASDVCZCHEMTLEV-CYBMUJFWSA-N 0 1 383.926 3.355 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc(C)nc3cc(Br)ccc32)n[nH]1 ZINC000496627540 567078208 /nfs/dbraw/zinc/07/82/08/567078208.db2.gz DSRNELXLEMQESJ-JTQLQIEISA-N 0 1 388.269 3.477 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000565583814 567079241 /nfs/dbraw/zinc/07/92/41/567079241.db2.gz BRAHQUQODCYIAR-LLVKDONJSA-N 0 1 394.298 3.091 20 0 GGADMN O=S(=O)(Nc1cnn(-c2ccc(Cl)cc2Cl)c1)c1cnc2n1CCC2 ZINC000473431291 567079843 /nfs/dbraw/zinc/07/98/43/567079843.db2.gz HDEOKZSLYLLUAZ-UHFFFAOYSA-N 0 1 398.275 3.123 20 0 GGADMN C[C@@H](NCC(C)(C)C(C)(C)O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453365250 567080369 /nfs/dbraw/zinc/08/03/69/567080369.db2.gz RGUHVNYNSAJEPG-SECBINFHSA-N 0 1 383.341 3.089 20 0 GGADMN CCCN(CCC(=O)Nc1cc(C)on1)Cc1ccccc1Br ZINC000521819811 567080466 /nfs/dbraw/zinc/08/04/66/567080466.db2.gz ITNHSFKYPGOCFP-UHFFFAOYSA-N 0 1 380.286 3.408 20 0 GGADMN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CCCc2n[nH]nc21 ZINC000614062590 567081176 /nfs/dbraw/zinc/08/11/76/567081176.db2.gz MXXLEEIWPYGYJZ-OQPBUACISA-N 0 1 376.741 3.437 20 0 GGADMN Cc1ccc(I)cc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000614051065 567081255 /nfs/dbraw/zinc/08/12/55/567081255.db2.gz FLSLJWBGBHFAFA-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN COc1ccc(C[C@@H](CO)CN[C@H](C)c2cc(C)on2)cc1Br ZINC000453376049 567081210 /nfs/dbraw/zinc/08/12/10/567081210.db2.gz PHLORQWAAPUERX-TZMCWYRMSA-N 0 1 383.286 3.256 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@H](O)COC[C@H]1CCCO1 ZINC000521818857 567081403 /nfs/dbraw/zinc/08/14/03/567081403.db2.gz NUKYSDZKGWGWHP-DLBZAZTESA-N 0 1 386.330 3.218 20 0 GGADMN C[C@H]1C[C@H](NC[C@H](O)Cc2cccc(Cl)c2)c2ccsc2S1(=O)=O ZINC000565594477 567081578 /nfs/dbraw/zinc/08/15/78/567081578.db2.gz YMHYBKDCJJORAQ-PEYYIBSZSA-N 0 1 385.938 3.202 20 0 GGADMN COc1ccc(Br)cc1CNCC1(S(C)(=O)=O)CCCCC1 ZINC000657654646 567082266 /nfs/dbraw/zinc/08/22/66/567082266.db2.gz XHEHWBOLBCNCAX-UHFFFAOYSA-N 0 1 390.343 3.295 20 0 GGADMN CS(=O)(=O)C1(CNCc2cnn(-c3ccc(Cl)cc3)c2)CCCCC1 ZINC000657653802 567082087 /nfs/dbraw/zinc/08/20/87/567082087.db2.gz OUBGATBTUJIAGK-UHFFFAOYSA-N 0 1 381.929 3.363 20 0 GGADMN CS(=O)(=O)C1(CNCc2cccc(F)c2Br)CCCCC1 ZINC000657657404 567082370 /nfs/dbraw/zinc/08/23/70/567082370.db2.gz VKRSUELUHNMMNH-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN CS(=O)(=O)C1(CNCc2cccc(Br)c2F)CCCCC1 ZINC000657657131 567082397 /nfs/dbraw/zinc/08/23/97/567082397.db2.gz SQEPYVXZQYLVNY-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN CN(CC(=O)NCc1cc(Cl)ccc1Br)[C@@H]1CCSC1 ZINC000565605659 567082660 /nfs/dbraw/zinc/08/26/60/567082660.db2.gz YPRJTRPHERTUML-GFCCVEGCSA-N 0 1 377.735 3.156 20 0 GGADMN O=C1NCc2ccc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)cc21 ZINC000473480487 567083378 /nfs/dbraw/zinc/08/33/78/567083378.db2.gz FYQOKUFGZHMXHV-UHFFFAOYSA-N 0 1 375.208 3.177 20 0 GGADMN COc1ccc(Br)cc1C[C@H](CO)CN[C@@H](C)c1cc(C)on1 ZINC000453382541 567083413 /nfs/dbraw/zinc/08/34/13/567083413.db2.gz RTWIRTQWZGGDPD-STQMWFEESA-N 0 1 383.286 3.256 20 0 GGADMN CSc1ccc([C@@H](CNC(=O)C(=O)Nc2csc(C)c2)N(C)C)cc1 ZINC000635176937 567083560 /nfs/dbraw/zinc/08/35/60/567083560.db2.gz CTRSFFQWSOLOFW-MRXNPFEDSA-N 0 1 377.535 3.136 20 0 GGADMN COc1cc(CNC(C)(C)CS(C)(=O)=O)ccc1OCc1cccs1 ZINC000545870627 567083923 /nfs/dbraw/zinc/08/39/23/567083923.db2.gz QCIDINARWGYJCV-UHFFFAOYSA-N 0 1 383.535 3.249 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(n2cc(Br)cn2)CC1 ZINC000521876626 567084457 /nfs/dbraw/zinc/08/44/57/567084457.db2.gz NVHYULNIQINWSG-QLFBSQMISA-N 0 1 397.361 3.176 20 0 GGADMN CCc1ncc(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)s1 ZINC000545891031 567085459 /nfs/dbraw/zinc/08/54/59/567085459.db2.gz MLQCZFHAUJVYQC-CQSZACIVSA-N 0 1 379.551 3.209 20 0 GGADMN CCc1ncc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)s1 ZINC000545891311 567085572 /nfs/dbraw/zinc/08/55/72/567085572.db2.gz VROIGFUUBIUXIS-AWEZNQCLSA-N 0 1 376.507 3.416 20 0 GGADMN Cn1cc(I)c(CNC2CCc3ccccc3CC2)n1 ZINC000453392060 567085708 /nfs/dbraw/zinc/08/57/08/567085708.db2.gz YZLOYBWKJMNNHH-UHFFFAOYSA-N 0 1 381.261 3.062 20 0 GGADMN O=C1[C@@H](NCc2cccc(I)c2)CCN1C1CCCCC1 ZINC000585742159 567086129 /nfs/dbraw/zinc/08/61/29/567086129.db2.gz KAAPIEDZKAZWQC-INIZCTEOSA-N 0 1 398.288 3.314 20 0 GGADMN Brc1ccccc1-n1cc(CNC[C@H]2COc3ccccc32)nn1 ZINC000565650007 567086451 /nfs/dbraw/zinc/08/64/51/567086451.db2.gz INNQZRLVYYFZIQ-ZDUSSCGKSA-N 0 1 385.265 3.296 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)s1 ZINC000521925471 567087025 /nfs/dbraw/zinc/08/70/25/567087025.db2.gz QROJUPBPGNCCSC-YPMHNXCESA-N 0 1 393.372 3.066 20 0 GGADMN COc1cc(CNC[C@@H](O)C(F)(F)F)cc(Br)c1OC(F)F ZINC000682951481 567087131 /nfs/dbraw/zinc/08/71/31/567087131.db2.gz WDMNCGFAOVIPHV-SECBINFHSA-N 0 1 394.134 3.072 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)c(Br)c1 ZINC000585765987 567087307 /nfs/dbraw/zinc/08/73/07/567087307.db2.gz UTULGTPHATZANV-AWEZNQCLSA-N 0 1 378.270 3.338 20 0 GGADMN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2sccc2OC)c1C ZINC000545927465 567088058 /nfs/dbraw/zinc/08/80/58/567088058.db2.gz PBLPVTNEMCCEJM-UHFFFAOYSA-N 0 1 375.855 3.306 20 0 GGADMN OC[C@H](CNCc1c(Br)cncc1Br)CC1CC1 ZINC000657715233 567088350 /nfs/dbraw/zinc/08/83/50/567088350.db2.gz KXCZQCOFLQVMRU-JTQLQIEISA-N 0 1 378.108 3.105 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)CN(C)[C@H]1CCSC1 ZINC000497324715 567088414 /nfs/dbraw/zinc/08/84/14/567088414.db2.gz PJXQKWARMRCOET-RISCZKNCSA-N 0 1 389.334 3.073 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CN(C)[C@H]1CCSC1 ZINC000497324714 567088806 /nfs/dbraw/zinc/08/88/06/567088806.db2.gz PJXQKWARMRCOET-FZMZJTMJSA-N 0 1 389.334 3.073 20 0 GGADMN COC(=O)c1ccc(CNCCOc2ncccc2Cl)c(Br)c1 ZINC000585767139 567089297 /nfs/dbraw/zinc/08/92/97/567089297.db2.gz YVIJVQMFKJVBPG-UHFFFAOYSA-N 0 1 399.672 3.453 20 0 GGADMN COC(=O)c1ccc(CN2CCC([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000585767354 567089364 /nfs/dbraw/zinc/08/93/64/567089364.db2.gz UFKXQDDZTYVZTN-MRXNPFEDSA-N 0 1 382.298 3.484 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000521950320 567089983 /nfs/dbraw/zinc/08/99/83/567089983.db2.gz DTUCXRCXCPFMAU-UHFFFAOYSA-N 0 1 377.231 3.433 20 0 GGADMN Cc1cc(Br)c(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000453566927 567091053 /nfs/dbraw/zinc/09/10/53/567091053.db2.gz GFNCGAWEOWFJGV-MRXNPFEDSA-N 0 1 395.366 3.328 20 0 GGADMN CN(CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)NCc1cccs1 ZINC000497361967 567091301 /nfs/dbraw/zinc/09/13/01/567091301.db2.gz CWQNTRIZOHZZSF-UHFFFAOYSA-N 0 1 383.876 3.117 20 0 GGADMN O[C@H]1CCC[C@H]1N1CCN(Cc2cc(Br)c(Cl)s2)CC1 ZINC000682996260 567091414 /nfs/dbraw/zinc/09/14/14/567091414.db2.gz OHASTCBPSLREFP-OLZOCXBDSA-N 0 1 379.751 3.195 20 0 GGADMN Cc1cc(C)c(S(=O)(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)s1 ZINC000431551524 567091426 /nfs/dbraw/zinc/09/14/26/567091426.db2.gz VWFPTRASWKJCMZ-UHFFFAOYSA-N 0 1 388.505 3.396 20 0 GGADMN COc1c(Br)cc(C[N@@H+](C)CCC(=O)[O-])cc1Br ZINC000565704599 567091757 /nfs/dbraw/zinc/09/17/57/567091757.db2.gz IVGUWABLHCLNHL-UHFFFAOYSA-N 0 1 381.064 3.127 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000635311551 567092150 /nfs/dbraw/zinc/09/21/50/567092150.db2.gz RJUFNBFCXYKNRW-OAHLLOKOSA-N 0 1 392.297 3.478 20 0 GGADMN Cn1nc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000635311551 567092155 /nfs/dbraw/zinc/09/21/55/567092155.db2.gz RJUFNBFCXYKNRW-OAHLLOKOSA-N 0 1 392.297 3.478 20 0 GGADMN Cc1cc(Br)c(CNCCNC(=O)Cc2cccc(F)c2)s1 ZINC000453580660 567092349 /nfs/dbraw/zinc/09/23/49/567092349.db2.gz KHNLFZJTCCPCLU-UHFFFAOYSA-N 0 1 385.302 3.407 20 0 GGADMN Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1C ZINC000453577755 567092841 /nfs/dbraw/zinc/09/28/41/567092841.db2.gz NRXHKSCWFNNMOL-HNNXBMFYSA-N 0 1 379.913 3.376 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000683046225 567093319 /nfs/dbraw/zinc/09/33/19/567093319.db2.gz YSGCUBYORXVUFU-GJZGRUSLSA-N 0 1 388.295 3.065 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000497384661 567093751 /nfs/dbraw/zinc/09/37/51/567093751.db2.gz KUCGALWYXRXAGP-QWRGUYRKSA-N 0 1 379.810 3.278 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@H](C)c1c(Cl)cccc1Cl)N1CCN(C)CC1 ZINC000586763568 567093985 /nfs/dbraw/zinc/09/39/85/567093985.db2.gz IFICFUMMQWBPBU-PBHICJAKSA-N 0 1 386.367 3.485 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1csc2ccccc21)c1ccccc1F ZINC000586761734 567094945 /nfs/dbraw/zinc/09/49/45/567094945.db2.gz YUJVOBLVAQDTIE-INIZCTEOSA-N 0 1 379.434 3.233 20 0 GGADMN COc1cc(CN(CCO)Cc2cccc(Br)c2)cc(OC)c1O ZINC000565743496 567094882 /nfs/dbraw/zinc/09/48/82/567094882.db2.gz LQRYWDUQDHDWJF-UHFFFAOYSA-N 0 1 396.281 3.166 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000497404531 567095141 /nfs/dbraw/zinc/09/51/41/567095141.db2.gz AQTYUIIKSDQRFK-ZIAGYGMSSA-N 0 1 396.329 3.014 20 0 GGADMN Cc1cnc(CCNCc2c(Br)cncc2Br)cn1 ZINC000453595758 567095233 /nfs/dbraw/zinc/09/52/33/567095233.db2.gz KSNKSSPMJLKJMM-UHFFFAOYSA-N 0 1 386.091 3.037 20 0 GGADMN COc1ccc(C(=O)NCCNCc2sc(C)cc2Br)cc1 ZINC000453583945 567095247 /nfs/dbraw/zinc/09/52/47/567095247.db2.gz GLHDEXXUTBHGCP-UHFFFAOYSA-N 0 1 383.311 3.347 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000497414698 567095399 /nfs/dbraw/zinc/09/53/99/567095399.db2.gz DVWKJUQBURIPBQ-ZIAGYGMSSA-N 0 1 396.329 3.014 20 0 GGADMN CCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000497404530 567095480 /nfs/dbraw/zinc/09/54/80/567095480.db2.gz AQTYUIIKSDQRFK-KGLIPLIRSA-N 0 1 396.329 3.014 20 0 GGADMN Cc1csc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1Br ZINC000683113891 567096074 /nfs/dbraw/zinc/09/60/74/567096074.db2.gz RGJDVKRKWMDRDD-ZDUSSCGKSA-N 0 1 387.343 3.146 20 0 GGADMN Cc1cnc(CCNCc2c(F)ccc(I)c2F)cn1 ZINC000453600213 567096398 /nfs/dbraw/zinc/09/63/98/567096398.db2.gz RYCFDEOLXNJZHW-UHFFFAOYSA-N 0 1 389.187 3.000 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1Cl ZINC000522054715 567096651 /nfs/dbraw/zinc/09/66/51/567096651.db2.gz HVUASJRTHMWHNE-AWEZNQCLSA-N 0 1 382.913 3.147 20 0 GGADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000522055741 567096777 /nfs/dbraw/zinc/09/67/77/567096777.db2.gz FNLKMAUMUDHZDJ-LBPRGKRZSA-N 0 1 395.750 3.255 20 0 GGADMN Cc1ncccc1NC(=O)[C@H](C)NCc1ccc(I)cc1 ZINC000453612066 567097009 /nfs/dbraw/zinc/09/70/09/567097009.db2.gz NDNSUNSLCIMANS-LBPRGKRZSA-N 0 1 395.244 3.111 20 0 GGADMN CC(C)CN(Cc1cnn(C)c1)Cc1cnc2ccc(Br)cn12 ZINC000453622647 567098633 /nfs/dbraw/zinc/09/86/33/567098633.db2.gz NNDNOJHOTXRFQS-UHFFFAOYSA-N 0 1 376.302 3.489 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc(NC2CC2)nc1 ZINC000522071662 567098807 /nfs/dbraw/zinc/09/88/07/567098807.db2.gz DPXLRJGFQLQIJX-UHFFFAOYSA-N 0 1 399.252 3.456 20 0 GGADMN O=C1[C@@H](NCc2ccc(OC(F)F)c(Br)c2)C[C@H]2CCCCN12 ZINC000453617446 567098948 /nfs/dbraw/zinc/09/89/48/567098948.db2.gz GWEHPBLZACZYEI-YPMHNXCESA-N 0 1 389.240 3.294 20 0 GGADMN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000683156466 567099536 /nfs/dbraw/zinc/09/95/36/567099536.db2.gz GSHSMBHHUHYECJ-UONOGXRCSA-N 0 1 376.259 3.195 20 0 GGADMN Cc1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc(C)c1Br ZINC000683154734 567099671 /nfs/dbraw/zinc/09/96/71/567099671.db2.gz LXNJVJOCQWQUJU-UHFFFAOYSA-N 0 1 397.361 3.213 20 0 GGADMN O=C(CCc1cnc[nH]1)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000497454456 567099751 /nfs/dbraw/zinc/09/97/51/567099751.db2.gz WEVFMXJLCRHEJI-UHFFFAOYSA-N 0 1 396.245 3.401 20 0 GGADMN O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000683156468 567099992 /nfs/dbraw/zinc/09/99/92/567099992.db2.gz GSHSMBHHUHYECJ-ZIAGYGMSSA-N 0 1 376.259 3.195 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3cc(Cl)ccc3Cl)cn2)CC1 ZINC000522121641 567100092 /nfs/dbraw/zinc/10/00/92/567100092.db2.gz YJDVWULPFQUUBB-UHFFFAOYSA-N 0 1 379.291 3.321 20 0 GGADMN COc1ccc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)c(Br)c1O ZINC000453639711 567100408 /nfs/dbraw/zinc/10/04/08/567100408.db2.gz WIYFIOPZZQZHLE-MRXNPFEDSA-N 0 1 394.309 3.473 20 0 GGADMN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cncc(Br)c1 ZINC000657843024 567100812 /nfs/dbraw/zinc/10/08/12/567100812.db2.gz MDELPEIIPXDNLS-LBPRGKRZSA-N 0 1 383.311 3.240 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)C2CCC(C(F)(F)F)CC2)n[nH]1 ZINC000565816145 567101667 /nfs/dbraw/zinc/10/16/67/567101667.db2.gz RVCOLSUCUAJJLE-JYBOHDQNSA-N 0 1 382.452 3.420 20 0 GGADMN COc1ccc(-c2n[nH]c(SC[C@H](O)CSC)n2)cc1Br ZINC000473770010 567101957 /nfs/dbraw/zinc/10/19/57/567101957.db2.gz QGLPBORKZBJCEO-SECBINFHSA-N 0 1 390.328 3.059 20 0 GGADMN CCc1nc(CNC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)n[nH]1 ZINC000565818976 567102495 /nfs/dbraw/zinc/10/24/95/567102495.db2.gz SBBMFWYLEDJZRU-HNNXBMFYSA-N 0 1 392.301 3.252 20 0 GGADMN COc1ccc(Br)c(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000473787053 567102591 /nfs/dbraw/zinc/10/25/91/567102591.db2.gz RGACKVZUPBEQBT-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1Br ZINC000614324936 567102859 /nfs/dbraw/zinc/10/28/59/567102859.db2.gz YGFSGLRCPROKPV-MRVWCRGKSA-N 0 1 384.318 3.280 20 0 GGADMN COc1ccccc1[C@H](CO)NCCC(=O)Nc1cccc(Br)c1 ZINC000565819070 567102923 /nfs/dbraw/zinc/10/29/23/567102923.db2.gz MVONTLLHFWYFDK-INIZCTEOSA-N 0 1 393.281 3.110 20 0 GGADMN CC[C@H]1C[N@H+](C)CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000614343419 567103383 /nfs/dbraw/zinc/10/33/83/567103383.db2.gz VIQAHGFJZSWMDH-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000614343419 567103388 /nfs/dbraw/zinc/10/33/88/567103388.db2.gz VIQAHGFJZSWMDH-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN CCN1C[C@@H](C)N(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)C[C@H]1C ZINC000497524042 567104827 /nfs/dbraw/zinc/10/48/27/567104827.db2.gz SZDATXITEGZUOD-CHWSQXEVSA-N 0 1 381.307 3.458 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1cncc(Br)c1 ZINC000657916212 567104749 /nfs/dbraw/zinc/10/47/49/567104749.db2.gz VXZONENCGKFLSY-ABAIWWIYSA-N 0 1 378.245 3.439 20 0 GGADMN COc1ncccc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000565838504 567104934 /nfs/dbraw/zinc/10/49/34/567104934.db2.gz OJRAMYKDKJKXNE-JKSUJKDBSA-N 0 1 391.265 3.153 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000565872462 567106090 /nfs/dbraw/zinc/10/60/90/567106090.db2.gz HEAYCCSOKDLBTJ-HNNXBMFYSA-N 0 1 397.292 3.267 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(C(F)F)nc2)s1 ZINC000657932109 567106629 /nfs/dbraw/zinc/10/66/29/567106629.db2.gz ULOBYNADDPGVAM-LLVKDONJSA-N 0 1 375.466 3.018 20 0 GGADMN Cc1cc(S(=O)(=O)NCCN[C@@H](C)c2ccc(C(F)F)nc2)c(C)s1 ZINC000657932789 567106820 /nfs/dbraw/zinc/10/68/20/567106820.db2.gz XTRJEZJCFRNTKB-NSHDSACASA-N 0 1 389.493 3.327 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(C(F)F)nc2)s1 ZINC000657932112 567106980 /nfs/dbraw/zinc/10/69/80/567106980.db2.gz ULOBYNADDPGVAM-NSHDSACASA-N 0 1 375.466 3.018 20 0 GGADMN C[C@@H]1COCCN1CCNCc1csc(-c2cccc(Br)c2)n1 ZINC000522213907 567107392 /nfs/dbraw/zinc/10/73/92/567107392.db2.gz JZVUNLDUKOOQGZ-CYBMUJFWSA-N 0 1 396.354 3.383 20 0 GGADMN COCC(=O)NC1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000683218803 567107628 /nfs/dbraw/zinc/10/76/28/567107628.db2.gz CMMZMKLYOAHAOG-UHFFFAOYSA-N 0 1 391.309 3.329 20 0 GGADMN O=C(Cc1ccc2c(c1)CCO2)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000522240238 567108425 /nfs/dbraw/zinc/10/84/25/567108425.db2.gz NADGXPDWACRINS-UHFFFAOYSA-N 0 1 399.248 3.350 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473853832 567108503 /nfs/dbraw/zinc/10/85/03/567108503.db2.gz JGGGQJMIGBZJJN-JTQLQIEISA-N 0 1 381.300 3.428 20 0 GGADMN O=S(=O)([N-][C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Cl)c(F)c1Cl ZINC000473853832 567108507 /nfs/dbraw/zinc/10/85/07/567108507.db2.gz JGGGQJMIGBZJJN-JTQLQIEISA-N 0 1 381.300 3.428 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000614387765 567108730 /nfs/dbraw/zinc/10/87/30/567108730.db2.gz DAGCNGCDERZBQM-SECBINFHSA-N 0 1 384.205 3.005 20 0 GGADMN O=C(c1cc2cc(Br)sc2[nH]1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000614387659 567108968 /nfs/dbraw/zinc/10/89/68/567108968.db2.gz ROWKNHADVLMBDV-ZETCQYMHSA-N 0 1 397.254 3.100 20 0 GGADMN O=C(CCn1cc(Cl)cn1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000614417515 567109992 /nfs/dbraw/zinc/10/99/92/567109992.db2.gz RUDPJBYSZBYYHV-UHFFFAOYSA-N 0 1 381.307 3.361 20 0 GGADMN Cc1ccc(Br)cc1CC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614433016 567110405 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ZINC000473941861 567117773 /nfs/dbraw/zinc/11/77/73/567117773.db2.gz PQYUYKKASARSHP-LDWIPMOCSA-N 0 1 384.178 3.113 20 0 GGADMN CN(Cc1nc(-c2ccc(Cl)c(Cl)c2)no1)c1ncnc2[nH]cnc21 ZINC000546250997 567117890 /nfs/dbraw/zinc/11/78/90/567117890.db2.gz ZYSZYACLQMRKQU-UHFFFAOYSA-N 0 1 376.207 3.346 20 0 GGADMN O=C1[C@@H](N2CCC3(CCOC3)CC2)CCN1c1cccc(Br)c1 ZINC000683369889 567118585 /nfs/dbraw/zinc/11/85/85/567118585.db2.gz TVJVGHUHZRFRGW-INIZCTEOSA-N 0 1 379.298 3.057 20 0 GGADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)n[nH]1 ZINC000473950878 567119090 /nfs/dbraw/zinc/11/90/90/567119090.db2.gz IXECNOZYBVEOFI-ZETCQYMHSA-N 0 1 381.260 3.414 20 0 GGADMN CCO[C@@H]1COCC[C@H]1NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000546256389 567119340 /nfs/dbraw/zinc/11/93/40/567119340.db2.gz BFIOSSPEDUKXPT-GDBMZVCRSA-N 0 1 380.286 3.123 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ncc(Br)s2)C1 ZINC000683405869 567120555 /nfs/dbraw/zinc/12/05/55/567120555.db2.gz GXHLTWJPGYTDAL-AAEUAGOBSA-N 0 1 380.311 3.471 20 0 GGADMN COC(=O)CC1CCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000497732900 567121700 /nfs/dbraw/zinc/12/17/00/567121700.db2.gz SYKZXEXXCDMQRS-GFCCVEGCSA-N 0 1 387.307 3.446 20 0 GGADMN COc1ccc([C@H](C)NC(=O)NCCN2CC=CCC2)cc1Br ZINC000473992102 567122303 /nfs/dbraw/zinc/12/23/03/567122303.db2.gz FVXVEMLFYXBFQX-ZDUSSCGKSA-N 0 1 382.302 3.080 20 0 GGADMN CCSc1cccc(F)c1NS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000566068549 567124428 /nfs/dbraw/zinc/12/44/28/567124428.db2.gz PGHRMOLTHHSFQT-UHFFFAOYSA-N 0 1 388.511 3.436 20 0 GGADMN COCC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000614591896 567124965 /nfs/dbraw/zinc/12/49/65/567124965.db2.gz JOMRXJAFIQRVTA-BXUZGUMPSA-N 0 1 383.279 3.425 20 0 GGADMN CCC(CC)c1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000546376008 567125324 /nfs/dbraw/zinc/12/53/24/567125324.db2.gz BBGODMVQTKDYFX-UHFFFAOYSA-N 0 1 394.316 3.276 20 0 GGADMN O=S(=O)(CCc1cccs1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000683465843 567125840 /nfs/dbraw/zinc/12/58/40/567125840.db2.gz 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567127840 /nfs/dbraw/zinc/12/78/40/567127840.db2.gz GQULAICFGCGDEG-UHFFFAOYSA-N 0 1 378.845 3.191 20 0 GGADMN COCCN1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2F)C1 ZINC000683481449 567128225 /nfs/dbraw/zinc/12/82/25/567128225.db2.gz RFDINEPRFDQDGC-NSHDSACASA-N 0 1 393.684 3.082 20 0 GGADMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1F ZINC000614623925 567128451 /nfs/dbraw/zinc/12/84/51/567128451.db2.gz BPUMIVULLWSJON-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c(Cl)cc1F ZINC000497866583 567129337 /nfs/dbraw/zinc/12/93/37/567129337.db2.gz FMAVDDUCGRWEMU-AWEZNQCLSA-N 0 1 383.876 3.207 20 0 GGADMN COC(=O)[C@@H](C)CN(CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000522777638 567129456 /nfs/dbraw/zinc/12/94/56/567129456.db2.gz OZNPHGJQNWVKNG-BSNNYGBQSA-N 0 1 378.321 3.375 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c1 ZINC000497863380 567129520 /nfs/dbraw/zinc/12/95/20/567129520.db2.gz SSKJRCSZJJZSJR-UHFFFAOYSA-N 0 1 380.267 3.445 20 0 GGADMN 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393.329 3.397 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474095591 567132557 /nfs/dbraw/zinc/13/25/57/567132557.db2.gz HTQZTYADVOAYIZ-GJZGRUSLSA-N 0 1 379.291 3.499 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000522824034 567132829 /nfs/dbraw/zinc/13/28/29/567132829.db2.gz OSHPKHJDHNVIHF-GFCCVEGCSA-N 0 1 379.381 3.117 20 0 GGADMN O=C(CN1CCC[C@H]1[C@H]1CCCOC1)Nc1ccc(Br)cc1F ZINC000566172880 567132881 /nfs/dbraw/zinc/13/28/81/567132881.db2.gz JDBSJWMJDNYHLN-LRDDRELGSA-N 0 1 385.277 3.418 20 0 GGADMN Cc1cc(F)ccc1-c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000546496038 567133239 /nfs/dbraw/zinc/13/32/39/567133239.db2.gz JZZZEJLXMRYMFO-UHFFFAOYSA-N 0 1 387.845 3.378 20 0 GGADMN COCCN(CCOC)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474101261 567133883 /nfs/dbraw/zinc/13/38/83/567133883.db2.gz XAVWPQYKRBBLGT-UHFFFAOYSA-N 0 1 386.208 3.443 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CCOCC(F)(F)F ZINC000522886112 567134903 /nfs/dbraw/zinc/13/49/03/567134903.db2.gz 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567137571 /nfs/dbraw/zinc/13/75/71/567137571.db2.gz GDWPWXGIZBMYAP-UHFFFAOYSA-N 0 1 384.885 3.232 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000546571507 567137662 /nfs/dbraw/zinc/13/76/62/567137662.db2.gz RWXOTKNWLOKNJQ-OAHLLOKOSA-N 0 1 393.325 3.033 20 0 GGADMN CC1(N2CCOCC2)CCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 ZINC000636279871 567138201 /nfs/dbraw/zinc/13/82/01/567138201.db2.gz ZSTSSMTWAZJUCL-UHFFFAOYSA-N 0 1 390.286 3.042 20 0 GGADMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000497978845 567138508 /nfs/dbraw/zinc/13/85/08/567138508.db2.gz OYQPWBDXFJOKND-WCBMZHEXSA-N 0 1 399.740 3.339 20 0 GGADMN CC[C@@H]1CN(C)CCCN1C(=O)c1scc(C)c1I ZINC000588821899 567138821 /nfs/dbraw/zinc/13/88/21/567138821.db2.gz PTSNXOYMPRWQOR-LLVKDONJSA-N 0 1 392.306 3.217 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(O)c1 ZINC000522959018 567139353 /nfs/dbraw/zinc/13/93/53/567139353.db2.gz LQOAKYNNOBMUHK-UHFFFAOYSA-N 0 1 385.825 3.032 20 0 GGADMN COC(=O)c1cc(NC(=O)CCCCc2cn[nH]n2)c(C)cc1Br ZINC000588863646 567141697 /nfs/dbraw/zinc/14/16/97/567141697.db2.gz ZILKWPPHOZTONW-UHFFFAOYSA-N 0 1 395.257 3.014 20 0 GGADMN CN(CC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1)[C@@H]1CCSC1 ZINC000498018074 567143865 /nfs/dbraw/zinc/14/38/65/567143865.db2.gz MURFEUUDXDCMPJ-NVXWUHKLSA-N 0 1 397.382 3.277 20 0 GGADMN Cc1cccc(C(=O)N2CCN(C)C[C@H]2C(C)C)c1I ZINC000523132360 567144210 /nfs/dbraw/zinc/14/42/10/567144210.db2.gz WSGSJFKTCXPJBO-AWEZNQCLSA-N 0 1 386.277 3.012 20 0 GGADMN Cc1cccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1I ZINC000523132363 567145000 /nfs/dbraw/zinc/14/50/00/567145000.db2.gz WSGSJFKTCXPJBO-CQSZACIVSA-N 0 1 386.277 3.012 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000614862533 567145667 /nfs/dbraw/zinc/14/56/67/567145667.db2.gz UROLSZLSNROPLM-UHFFFAOYSA-N 0 1 382.869 3.288 20 0 GGADMN COC1(CO)CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000683677529 567145664 /nfs/dbraw/zinc/14/56/64/567145664.db2.gz 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398.135 3.061 20 0 GGADMN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cccc2c[nH]nc21 ZINC000498866161 567206069 /nfs/dbraw/zinc/20/60/69/567206069.db2.gz KUAXZOMVUPGHLE-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN COC[C@@H](N=c1[nH]n2cc(-c3ccc(Cl)cc3)nc2s1)[C@@H]1CCCO1 ZINC000432943894 567206569 /nfs/dbraw/zinc/20/65/69/567206569.db2.gz KAHFGAQXXDDWNX-CABCVRRESA-N 0 1 378.885 3.139 20 0 GGADMN Fc1ccc(I)c(F)c1CNCCNc1ccccn1 ZINC000474885792 567206871 /nfs/dbraw/zinc/20/68/71/567206871.db2.gz WNPADCXBBLCPSI-UHFFFAOYSA-N 0 1 389.187 3.166 20 0 GGADMN Cc1nc(S(=O)(=O)NCCC2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000566986261 567207175 /nfs/dbraw/zinc/20/71/75/567207175.db2.gz VHZSJWYUUSHGSV-RKDXNWHRSA-N 0 1 397.360 3.086 20 0 GGADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1coc(S(C)(=O)=O)c1 ZINC000615812381 567207261 /nfs/dbraw/zinc/20/72/61/567207261.db2.gz JPTRYHKJJXZRLI-SECBINFHSA-N 0 1 381.841 3.046 20 0 GGADMN CC(C)(N)c1nocc1C(=O)NCC(C)(C)c1ccccc1Br ZINC000566983494 567207300 /nfs/dbraw/zinc/20/73/00/567207300.db2.gz ILBXUCKUSCRKSM-UHFFFAOYSA-N 0 1 380.286 3.339 20 0 GGADMN Cc1nc(S(=O)(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000566986259 567207449 /nfs/dbraw/zinc/20/74/49/567207449.db2.gz VHZSJWYUUSHGSV-DOFRTFSJSA-N 0 1 397.360 3.086 20 0 GGADMN Cc1sc(=O)n(CC(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1C ZINC000615819269 567207438 /nfs/dbraw/zinc/20/74/38/567207438.db2.gz ZRAIIYSBEBKSOU-JTQLQIEISA-N 0 1 378.885 3.276 20 0 GGADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000615817133 567207646 /nfs/dbraw/zinc/20/76/46/567207646.db2.gz IMRYSVQFOMYCJT-JTQLQIEISA-N 0 1 383.901 3.092 20 0 GGADMN CC(C)N(C)C[C@@H](C)NC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000566982565 567207808 /nfs/dbraw/zinc/20/78/08/567207808.db2.gz XKQLIUOGETZVOF-CYBMUJFWSA-N 0 1 389.949 3.372 20 0 GGADMN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCN(C2CCOCC2)CC1 ZINC000474902095 567207787 /nfs/dbraw/zinc/20/77/87/567207787.db2.gz MMSHCBYBKFMVMV-UHFFFAOYSA-N 0 1 382.291 3.412 20 0 GGADMN Cn1cc(-c2ccc(NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)nn2)cn1 ZINC000432949514 567208298 /nfs/dbraw/zinc/20/82/98/567208298.db2.gz PJMXYWPMNPOWQC-UHFFFAOYSA-N 0 1 398.275 3.126 20 0 GGADMN O=C(CCc1cnc[nH]1)Nc1ccc(I)cc1Cl ZINC000474895107 567208463 /nfs/dbraw/zinc/20/84/63/567208463.db2.gz UTZYRAWBXWMHGW-UHFFFAOYSA-N 0 1 375.597 3.239 20 0 GGADMN CC1CCN(CCNC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000474901363 567208536 /nfs/dbraw/zinc/20/85/36/567208536.db2.gz IXGMPNMKSXSSHI-UHFFFAOYSA-N 0 1 378.567 3.420 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)n[nH]1 ZINC000454885918 567208924 /nfs/dbraw/zinc/20/89/24/567208924.db2.gz CFWIMZGEDJTDLH-UHFFFAOYSA-N 0 1 392.179 3.470 20 0 GGADMN CCOC(=O)[C@@H](C)[C@H](C)NCc1c(F)ccc(I)c1F ZINC000474922959 567209339 /nfs/dbraw/zinc/20/93/39/567209339.db2.gz IYNZOPTVFVAYKI-IUCAKERBSA-N 0 1 397.203 3.247 20 0 GGADMN O=C(C[C@@H]1COCCN1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659370786 567209276 /nfs/dbraw/zinc/20/92/76/567209276.db2.gz AWIDLTSISHABSF-DNVCBOLYSA-N 0 1 376.909 3.254 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000524683323 567209451 /nfs/dbraw/zinc/20/94/51/567209451.db2.gz QATVREZZMSYHEY-CQSZACIVSA-N 0 1 383.587 3.238 20 0 GGADMN O=C(Nc1ccn(-c2ccc(Br)cc2)n1)c1cccc2nc[nH]c21 ZINC000498895475 567209884 /nfs/dbraw/zinc/20/98/84/567209884.db2.gz XWGUNERYPQONKS-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN COC(=O)C[C@@]1(NCc2ccc(Br)cc2C(F)(F)F)CCOC1 ZINC000474922833 567210067 /nfs/dbraw/zinc/21/00/67/567210067.db2.gz IIAHPASNEUCFDP-AWEZNQCLSA-N 0 1 396.203 3.280 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1Cl ZINC000432971239 567211743 /nfs/dbraw/zinc/21/17/43/567211743.db2.gz NAFXFGWUAAISNG-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000590171108 567212003 /nfs/dbraw/zinc/21/20/03/567212003.db2.gz SCINCHXQQWIMIV-QGZVFWFLSA-N 0 1 380.330 3.420 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C ZINC000498911666 567212105 /nfs/dbraw/zinc/21/21/05/567212105.db2.gz JLZDCTYPPMYZNN-GHMZBOCLSA-N 0 1 385.331 3.475 20 0 GGADMN CN(C)C(=O)Nc1cccc(CNC(=O)c2cccc(Br)c2O)c1 ZINC000524740474 567212229 /nfs/dbraw/zinc/21/22/29/567212229.db2.gz BJNRVBWRIQEQQW-UHFFFAOYSA-N 0 1 392.253 3.178 20 0 GGADMN CCN1C[C@H](C)N(Cc2nc(-c3cc(Br)cs3)no2)C[C@@H]1C ZINC000498911671 567212228 /nfs/dbraw/zinc/21/22/28/567212228.db2.gz JLZDCTYPPMYZNN-QWRGUYRKSA-N 0 1 385.331 3.475 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNCc2sccc2Br)c1 ZINC000567042733 567212337 /nfs/dbraw/zinc/21/23/37/567212337.db2.gz SYTHAWZIYLYAGR-CYBMUJFWSA-N 0 1 384.295 3.243 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2cc(I)ccc2F)c1 ZINC000474941101 567213162 /nfs/dbraw/zinc/21/31/62/567213162.db2.gz AIVOJLZBIHAFIF-UHFFFAOYSA-N 0 1 399.207 3.139 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)c(Br)c1 ZINC000590193766 567213387 /nfs/dbraw/zinc/21/33/87/567213387.db2.gz RIRDYDAFCCRSPP-ZJUUUORDSA-N 0 1 388.281 3.252 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(F)c(Br)c1)C(=O)NC(=O)NC(C)(C)C ZINC000590193758 567213549 /nfs/dbraw/zinc/21/35/49/567213549.db2.gz RIRDYDAFCCRSPP-NXEZZACHSA-N 0 1 388.281 3.252 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(F)c(Br)c1 ZINC000590192383 567213760 /nfs/dbraw/zinc/21/37/60/567213760.db2.gz BSIDUFMXELESKL-JTQLQIEISA-N 0 1 386.265 3.007 20 0 GGADMN COc1ccccc1CN(CCO)Cc1ccc(I)cc1 ZINC000524758787 567213800 /nfs/dbraw/zinc/21/38/00/567213800.db2.gz XNMKYYAWCNHINM-UHFFFAOYSA-N 0 1 397.256 3.294 20 0 GGADMN COC[C@H](N[C@@H](C)c1ccccc1I)[C@@H]1CCCO1 ZINC000432997025 567214151 /nfs/dbraw/zinc/21/41/51/567214151.db2.gz JNWKEKKJTMXPLA-CQDKDKBSSA-N 0 1 375.250 3.136 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(CC3CC3)CC2)cc1I ZINC000474952616 567214385 /nfs/dbraw/zinc/21/43/85/567214385.db2.gz JGWXTIFKEQRXBK-UHFFFAOYSA-N 0 1 398.288 3.076 20 0 GGADMN C[C@@H](N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)Nc1ncccn1 ZINC000547514510 567214942 /nfs/dbraw/zinc/21/49/42/567214942.db2.gz XBPWPJHBMBRXEA-BMIGLBTASA-N 0 1 393.260 3.446 20 0 GGADMN COCC(=O)Nc1cccc(CNCc2cccc(Br)c2OC)c1 ZINC000547499188 567215184 /nfs/dbraw/zinc/21/51/84/567215184.db2.gz RKXPHNPGSCTOMR-UHFFFAOYSA-N 0 1 393.281 3.332 20 0 GGADMN C[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000567080731 567215441 /nfs/dbraw/zinc/21/54/41/567215441.db2.gz XUCORWRJGIPRCT-OCCSQVGLSA-N 0 1 394.368 3.305 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000567073849 567215462 /nfs/dbraw/zinc/21/54/62/567215462.db2.gz YLHPNDDRROISRG-KBXCAEBGSA-N 0 1 389.297 3.211 20 0 GGADMN CN(CCCc1ccccc1Br)Cc1ccccc1S(N)(=O)=O ZINC000433006199 567215971 /nfs/dbraw/zinc/21/59/71/567215971.db2.gz GGIUXVDMUHMOBN-UHFFFAOYSA-N 0 1 397.338 3.161 20 0 GGADMN C[C@@H](NCC1(O)CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684553171 567216176 /nfs/dbraw/zinc/21/61/76/567216176.db2.gz LDSHUIDATUFYDC-LLVKDONJSA-N 0 1 395.352 3.377 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)s1 ZINC000590263061 567216257 /nfs/dbraw/zinc/21/62/57/567216257.db2.gz IQESMQSVTYEEIM-UHFFFAOYSA-N 0 1 397.375 3.369 20 0 GGADMN C[N@@H+](CCCCNC(=O)N=c1nc(Sc2ccccc2)[n-]s1)C1CC1 ZINC000454956092 567217028 /nfs/dbraw/zinc/21/70/28/567217028.db2.gz GOFWNWSSTLCQPV-UHFFFAOYSA-N 0 1 377.539 3.107 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1COc2ccccc2C1 ZINC000590270829 567217769 /nfs/dbraw/zinc/21/77/69/567217769.db2.gz IXPVMBWKCUQDMZ-ZDUSSCGKSA-N 0 1 399.248 3.424 20 0 GGADMN COc1cccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1 ZINC000684571098 567217933 /nfs/dbraw/zinc/21/79/33/567217933.db2.gz CDFZZKRKQUZRRY-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1COc2ccccc2C1 ZINC000590270828 567217962 /nfs/dbraw/zinc/21/79/62/567217962.db2.gz IXPVMBWKCUQDMZ-CYBMUJFWSA-N 0 1 399.248 3.424 20 0 GGADMN CN(CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 ZINC000590271282 567218014 /nfs/dbraw/zinc/21/80/14/567218014.db2.gz GFZKWDGFVVCDEH-UHFFFAOYSA-N 0 1 386.253 3.309 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC000567113104 567218643 /nfs/dbraw/zinc/21/86/43/567218643.db2.gz QPTSHODMXMYEHY-SNVBAGLBSA-N 0 1 377.229 3.217 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Br)N(C)C[C@@H](O)Cc1ccccc1 ZINC000433054046 567218617 /nfs/dbraw/zinc/21/86/17/567218617.db2.gz TYVPECGPUSJHRU-ZBFHGGJFSA-N 0 1 391.309 3.312 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@H](O)Cc1ccccc1 ZINC000433059034 567218641 /nfs/dbraw/zinc/21/86/41/567218641.db2.gz CAWAPEKWHOQILE-KBXCAEBGSA-N 0 1 391.309 3.312 20 0 GGADMN CCc1cc(NS(=O)(=O)CCc2ccccc2Br)nc(C)n1 ZINC000567100693 567218834 /nfs/dbraw/zinc/21/88/34/567218834.db2.gz YLWIEKIKFJGPIB-UHFFFAOYSA-N 0 1 384.299 3.094 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000684588322 567219193 /nfs/dbraw/zinc/21/91/93/567219193.db2.gz BJSZTZHMPDUDJF-UGSOOPFHSA-N 0 1 382.913 3.318 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)C[C@H](C)N1C ZINC000454984819 567220047 /nfs/dbraw/zinc/22/00/47/567220047.db2.gz HUGFEZTWZIBBNW-PHIMTYICSA-N 0 1 383.283 3.130 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)C[C@@H](O)Cc1ccccc1 ZINC000433072508 567220396 /nfs/dbraw/zinc/22/03/96/567220396.db2.gz OPAFVDLHNCWNOL-KSSFIOAISA-N 0 1 391.309 3.312 20 0 GGADMN CO[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000433083250 567221028 /nfs/dbraw/zinc/22/10/28/567221028.db2.gz OIHILSVMVCVYBM-WCQYABFASA-N 0 1 379.258 3.378 20 0 GGADMN O=C(CCc1cncs1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000433082512 567221277 /nfs/dbraw/zinc/22/12/77/567221277.db2.gz LCURLZKRFIZIIY-UHFFFAOYSA-N 0 1 378.255 3.262 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CN(C)Cc2cccc(Br)c2)cc1 ZINC000499055251 567221717 /nfs/dbraw/zinc/22/17/17/567221717.db2.gz LOUGBKMWCFPXAL-UHFFFAOYSA-N 0 1 397.338 3.331 20 0 GGADMN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCCN1CCCOCC1 ZINC000455003543 567221961 /nfs/dbraw/zinc/22/19/61/567221961.db2.gz RHGYFVKXEQTESK-ZDUSSCGKSA-N 0 1 386.323 3.344 20 0 GGADMN Cc1nc(-c2ccc(CNC(=O)N3CCN(CC4CC4)CC3)s2)cs1 ZINC000616026098 567222230 /nfs/dbraw/zinc/22/22/30/567222230.db2.gz WGJVOLWSGHSOPE-UHFFFAOYSA-N 0 1 376.551 3.417 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000475047718 567222638 /nfs/dbraw/zinc/22/26/38/567222638.db2.gz MBZVPWFUMSUUIE-UHFFFAOYSA-N 0 1 388.225 3.027 20 0 GGADMN O=C(CCc1cc(Br)ccc1F)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433092212 567222681 /nfs/dbraw/zinc/22/26/81/567222681.db2.gz WPXOWPJIFUPSAI-UHFFFAOYSA-N 0 1 390.216 3.340 20 0 GGADMN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000684629402 567223306 /nfs/dbraw/zinc/22/33/06/567223306.db2.gz ATUIWQWZFITIJS-QWQRMKEZSA-N 0 1 390.307 3.003 20 0 GGADMN COc1cccc([C@H](N)C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000637895315 567223702 /nfs/dbraw/zinc/22/37/02/567223702.db2.gz LGCFKYXZCHFVKA-DIFFPNOSSA-N 0 1 393.281 3.344 20 0 GGADMN Cc1ccc(Br)cc1CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000567161623 567223824 /nfs/dbraw/zinc/22/38/24/567223824.db2.gz GGUDSIFSYLUOIY-UHFFFAOYSA-N 0 1 386.286 3.460 20 0 GGADMN O=C(NCC1(c2ccccc2Br)CC1)N1CCN(C2CCC2)CC1 ZINC000524998839 567223924 /nfs/dbraw/zinc/22/39/24/567223924.db2.gz AKPBJZQDKWVDHB-UHFFFAOYSA-N 0 1 392.341 3.360 20 0 GGADMN C[C@H](CCc1ccc(I)cc1)N[C@H](C)c1ncn(C)n1 ZINC000475092838 567224763 /nfs/dbraw/zinc/22/47/63/567224763.db2.gz OZWJWIGAJAWZTJ-VXGBXAGGSA-N 0 1 384.265 3.092 20 0 GGADMN CCn1cc(CC[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)cn1 ZINC000567173421 567225109 /nfs/dbraw/zinc/22/51/09/567225109.db2.gz ZCISXCIFMARMNK-UHFFFAOYSA-N 0 1 380.286 3.185 20 0 GGADMN Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)C2 ZINC000616076564 567225117 /nfs/dbraw/zinc/22/51/17/567225117.db2.gz RKIAFTXUGMRIJK-BBATYDOGSA-N 0 1 382.291 3.154 20 0 GGADMN Cc1cnc(C2CCN(Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)s1 ZINC000433133584 567225248 /nfs/dbraw/zinc/22/52/48/567225248.db2.gz FASVHLPRZGTSJT-UHFFFAOYSA-N 0 1 379.551 3.081 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(Br)c1O ZINC000567185711 567225265 /nfs/dbraw/zinc/22/52/65/567225265.db2.gz YXRNYRROKGIMMR-BBRMVZONSA-N 0 1 394.269 3.192 20 0 GGADMN CCOC(=O)[C@](C)(O)CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000475103323 567225409 /nfs/dbraw/zinc/22/54/09/567225409.db2.gz XQMMDTQONOICBO-GXTWGEPZSA-N 0 1 398.219 3.346 20 0 GGADMN COCc1c(Br)cccc1NC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000637943100 567226001 /nfs/dbraw/zinc/22/60/01/567226001.db2.gz DCBJZQILCSGDDJ-MRXNPFEDSA-N 0 1 393.281 3.113 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1c1ccc(Cl)cc1 ZINC000659796597 567226260 /nfs/dbraw/zinc/22/62/60/567226260.db2.gz GCNFPRHJEZBKOT-QWHCGFSZSA-N 0 1 383.769 3.357 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000659790629 567226304 /nfs/dbraw/zinc/22/63/04/567226304.db2.gz DYZLCNXIKKGRCX-OAHLLOKOSA-N 0 1 382.243 3.447 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000659790629 567226307 /nfs/dbraw/zinc/22/63/07/567226307.db2.gz DYZLCNXIKKGRCX-OAHLLOKOSA-N 0 1 382.243 3.447 20 0 GGADMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c1C ZINC000525020965 567226327 /nfs/dbraw/zinc/22/63/27/567226327.db2.gz QNKBWZQLUIMXOL-UHFFFAOYSA-N 0 1 379.873 3.160 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C[C@H]1CCCC2 ZINC000659799723 567226397 /nfs/dbraw/zinc/22/63/97/567226397.db2.gz NFYQBLZXCHQEFM-SJKOYZFVSA-N 0 1 382.254 3.255 20 0 GGADMN COc1cccc(C[C@H](N)C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000637940680 567226408 /nfs/dbraw/zinc/22/64/08/567226408.db2.gz LKBMYJCRAWYZAO-AWEZNQCLSA-N 0 1 383.311 3.048 20 0 GGADMN O=C([O-])[C@@]12C[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C[C@@H]1CCCC2 ZINC000659798563 567226651 /nfs/dbraw/zinc/22/66/51/567226651.db2.gz IOSMCIPXZLUQDQ-YEWDVWPNSA-N 0 1 388.291 3.310 20 0 GGADMN Cc1cc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000684663634 567227084 /nfs/dbraw/zinc/22/70/84/567227084.db2.gz SJEVMSYXPHBMIP-HAQNSBGRSA-N 0 1 381.249 3.365 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)cc1Cl ZINC000567210983 567227038 /nfs/dbraw/zinc/22/70/38/567227038.db2.gz VNIKBQPTKYPQTP-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN COc1ccc(NC(=O)[C@H](N)[C@H](C)OCc2ccccc2)c(Br)c1 ZINC000637974046 567227020 /nfs/dbraw/zinc/22/70/20/567227020.db2.gz IHUZKWQXUIUJST-YVEFUNNKSA-N 0 1 393.281 3.329 20 0 GGADMN Brc1cnc2c(CN3CCC(OC4CCCC4)CC3)cnn2c1 ZINC000637994584 567228236 /nfs/dbraw/zinc/22/82/36/567228236.db2.gz KTSAANSGWJJNTQ-UHFFFAOYSA-N 0 1 379.302 3.415 20 0 GGADMN NCc1ncc(C(=O)NCCCCSc2ccccc2Br)cn1 ZINC000637989063 567228254 /nfs/dbraw/zinc/22/82/54/567228254.db2.gz RXOHDKISOJEIQU-UHFFFAOYSA-N 0 1 395.326 3.000 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1c[nH]c2ccc(Br)cc12 ZINC000590498711 567228425 /nfs/dbraw/zinc/22/84/25/567228425.db2.gz KNGDSKINKBEKSL-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2cc(Br)cc(C)c2C)CC1 ZINC000616125699 567228720 /nfs/dbraw/zinc/22/87/20/567228720.db2.gz WIOFAHNVVKUBEM-UHFFFAOYSA-N 0 1 396.373 3.212 20 0 GGADMN COc1ccc(Br)c(NC(=O)[C@H](N)[C@H](C)OCc2ccccc2)c1 ZINC000637954218 567228762 /nfs/dbraw/zinc/22/87/62/567228762.db2.gz ZVLXLJAQUIPRHK-YVEFUNNKSA-N 0 1 393.281 3.329 20 0 GGADMN O=C(CN(C[C@H]1CCOC1)C1CC1)c1c[nH]c2ncc(Br)cc12 ZINC000659841496 567231105 /nfs/dbraw/zinc/23/11/05/567231105.db2.gz PEAJQBNRQDUEQY-LLVKDONJSA-N 0 1 378.270 3.009 20 0 GGADMN CCOc1cc(CNCc2cccn(CC)c2=O)cc(Br)c1OC ZINC000433201191 567231147 /nfs/dbraw/zinc/23/11/47/567231147.db2.gz VIMQSWAMEIJACS-UHFFFAOYSA-N 0 1 395.297 3.328 20 0 GGADMN CC(C)c1ncc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000567271108 567231596 /nfs/dbraw/zinc/23/15/96/567231596.db2.gz BRGOCMUSUOEWJA-CYBMUJFWSA-N 0 1 385.580 3.271 20 0 GGADMN C[C@H](NC(=O)CN(CCO)[C@H]1CCCSC1)c1ccc(Cl)c(Cl)c1 ZINC000433199956 567231638 /nfs/dbraw/zinc/23/16/38/567231638.db2.gz FWXVMKRJVISAQO-JSGCOSHPSA-N 0 1 391.364 3.361 20 0 GGADMN O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1n[nH]c2cc(O)ccc21 ZINC000590557745 567231966 /nfs/dbraw/zinc/23/19/66/567231966.db2.gz IBYCGPPZZRVKSX-UHFFFAOYSA-N 0 1 375.837 3.477 20 0 GGADMN CC(C)CC[C@H](O)CNCc1c(Br)cncc1Br ZINC000567262464 567232035 /nfs/dbraw/zinc/23/20/35/567232035.db2.gz POLSIIUVCFXUBH-JTQLQIEISA-N 0 1 380.124 3.493 20 0 GGADMN COCCN(CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCCSC1 ZINC000433198625 567232141 /nfs/dbraw/zinc/23/21/41/567232141.db2.gz ZGUDVFOXNAUMRG-ZDUSSCGKSA-N 0 1 376.975 3.204 20 0 GGADMN COCCN(CC(=O)NCCSc1ccc(C)cc1)[C@@H]1CCCSC1 ZINC000433199461 567232155 /nfs/dbraw/zinc/23/21/55/567232155.db2.gz LOMUDVRXKZHOHJ-QGZVFWFLSA-N 0 1 382.595 3.047 20 0 GGADMN O=C(CC1(N2CCOCC2)CCCC1)N1CCc2ccc(Br)cc21 ZINC000525179855 567232321 /nfs/dbraw/zinc/23/23/21/567232321.db2.gz ZMRGLCHOYBDSFL-UHFFFAOYSA-N 0 1 393.325 3.373 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Nc2ccc(I)cc2)C[C@H]1C ZINC000499240645 567232389 /nfs/dbraw/zinc/23/23/89/567232389.db2.gz BFQMGCYZFDRHQW-NEPJUHHUSA-N 0 1 387.265 3.238 20 0 GGADMN COc1cccc(CN2CCN(CCCOCC(F)(F)F)CC2)c1Cl ZINC000659857070 567232599 /nfs/dbraw/zinc/23/25/99/567232599.db2.gz FWQOKZUUQNZDHK-UHFFFAOYSA-N 0 1 380.838 3.435 20 0 GGADMN Brc1cnn(CCCCNCc2ncc(Br)s2)c1 ZINC000475204517 567233357 /nfs/dbraw/zinc/23/33/57/567233357.db2.gz HFQWISIVACNUAU-UHFFFAOYSA-N 0 1 394.136 3.435 20 0 GGADMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)CCC2 ZINC000638074477 567233352 /nfs/dbraw/zinc/23/33/52/567233352.db2.gz BWYDXLMVOMPJOL-AWEZNQCLSA-N 0 1 385.942 3.262 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Cc2c(Cl)cccc2Br)n[nH]1 ZINC000616221581 567233498 /nfs/dbraw/zinc/23/34/98/567233498.db2.gz IKWSHUVUNYUFRS-UHFFFAOYSA-N 0 1 385.693 3.377 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCO[C@H](c3cccc(Br)c3)C2)nc1C ZINC000659862966 567233539 /nfs/dbraw/zinc/23/35/39/567233539.db2.gz GUFIKVFVAPLODF-INIZCTEOSA-N 0 1 392.297 3.299 20 0 GGADMN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000567295323 567234799 /nfs/dbraw/zinc/23/47/99/567234799.db2.gz NIABYXWVZUYTTL-WCQYABFASA-N 0 1 378.245 3.439 20 0 GGADMN Cc1cnc(NCC2CCN(CC(=O)NC(C)(C)C)CC2)c(Br)c1 ZINC000684762054 567234967 /nfs/dbraw/zinc/23/49/67/567234967.db2.gz HAUFARCSPAJWTQ-UHFFFAOYSA-N 0 1 397.361 3.191 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN(C)Cc1cc(Br)ccc1F ZINC000590600506 567235151 /nfs/dbraw/zinc/23/51/51/567235151.db2.gz BYMQEASFHJRSEQ-UHFFFAOYSA-N 0 1 384.249 3.428 20 0 GGADMN C[C@H](C(=O)Nc1n[nH]c(-c2ccccc2Br)n1)N1CCCCCC1 ZINC000525241284 567236597 /nfs/dbraw/zinc/23/65/97/567236597.db2.gz KUHBUFPQQDLQRO-GFCCVEGCSA-N 0 1 392.301 3.437 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cncc(F)c1 ZINC000433262412 567237246 /nfs/dbraw/zinc/23/72/46/567237246.db2.gz QKJOVPCHINLXNW-BDJLRTHQSA-N 0 1 378.245 3.439 20 0 GGADMN Cc1ccc(CCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(Br)c1 ZINC000475275107 567237650 /nfs/dbraw/zinc/23/76/50/567237650.db2.gz LJIFEEVBEZFYHM-QGZVFWFLSA-N 0 1 397.357 3.163 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000475310764 567239153 /nfs/dbraw/zinc/23/91/53/567239153.db2.gz DZGMKKPOACFBPC-GOEBONIOSA-N 0 1 395.341 3.345 20 0 GGADMN C[C@H]1C(=O)CC[C@@H]1CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000475310763 567239283 /nfs/dbraw/zinc/23/92/83/567239283.db2.gz DZGMKKPOACFBPC-GDBMZVCRSA-N 0 1 395.341 3.345 20 0 GGADMN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659936716 567239410 /nfs/dbraw/zinc/23/94/10/567239410.db2.gz SFEUCNHXVZZUKU-TZMCWYRMSA-N 0 1 391.313 3.067 20 0 GGADMN CC[C@H](O)[C@H]1CCCCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659943978 567239765 /nfs/dbraw/zinc/23/97/65/567239765.db2.gz PGABPBORUFAPDI-CABCVRRESA-N 0 1 380.286 3.134 20 0 GGADMN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1ccc(F)cc1Br ZINC000567358280 567240365 /nfs/dbraw/zinc/24/03/65/567240365.db2.gz JBFYZTGHJAISMX-UHFFFAOYSA-N 0 1 397.172 3.385 20 0 GGADMN CC[C@H](C)[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000475317848 567240653 /nfs/dbraw/zinc/24/06/53/567240653.db2.gz LKXGYHAYIJKBAH-GUYCJALGSA-N 0 1 398.345 3.201 20 0 GGADMN Cn1nccc1[C@@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000525270428 567240790 /nfs/dbraw/zinc/24/07/90/567240790.db2.gz KVXRUINQVLDSRV-CQSZACIVSA-N 0 1 381.261 3.404 20 0 GGADMN CCc1ncc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2C)s1 ZINC000547711895 567241066 /nfs/dbraw/zinc/24/10/66/567241066.db2.gz YYKUPDKRACFWNU-UHFFFAOYSA-N 0 1 397.591 3.364 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CCN(C)[C@@H](C)[C@@H]3C)c2o1 ZINC000455163531 567241436 /nfs/dbraw/zinc/24/14/36/567241436.db2.gz HMSWHXOUQYISAU-UWVGGRQHSA-N 0 1 381.274 3.455 20 0 GGADMN C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433321401 567241777 /nfs/dbraw/zinc/24/17/77/567241777.db2.gz NSFPQWCDHIARFB-DGCLKSJQSA-N 0 1 393.247 3.381 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000475361991 567241821 /nfs/dbraw/zinc/24/18/21/567241821.db2.gz QWGWVNIGQXERTK-CHWSQXEVSA-N 0 1 386.359 3.350 20 0 GGADMN CN(CCn1cc(Br)cn1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000567392654 567241820 /nfs/dbraw/zinc/24/18/20/567241820.db2.gz AGBZFRSKTXXABQ-UHFFFAOYSA-N 0 1 386.677 3.202 20 0 GGADMN O=C(NCCCc1nc[nH]n1)C1(c2ccc(Br)cc2)CCCC1 ZINC000684869859 567242315 /nfs/dbraw/zinc/24/23/15/567242315.db2.gz XOKSFUHLLHZZER-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433321400 567242385 /nfs/dbraw/zinc/24/23/85/567242385.db2.gz NSFPQWCDHIARFB-AAEUAGOBSA-N 0 1 393.247 3.381 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)Nc2cccc(C)c2Br)CC1 ZINC000455169971 567242917 /nfs/dbraw/zinc/24/29/17/567242917.db2.gz MUTQGIGPRWVYTG-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N(C)C[C@H](C)c2nn[nH]n2)ccc1Br ZINC000499402721 567243407 /nfs/dbraw/zinc/24/34/07/567243407.db2.gz IJEIXDZIKFHWTI-LBPRGKRZSA-N 0 1 394.317 3.101 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2C)n[nH]1 ZINC000433345351 567244416 /nfs/dbraw/zinc/24/44/16/567244416.db2.gz XMSJVXOGQAOKPP-GXSJLCMTSA-N 0 1 386.905 3.328 20 0 GGADMN Brc1ccn2cc(CNCc3ccc(Cn4cncn4)cc3)nc2c1 ZINC000567431466 567244653 /nfs/dbraw/zinc/24/46/53/567244653.db2.gz MMLZUHKGBDBJAP-UHFFFAOYSA-N 0 1 397.280 3.026 20 0 GGADMN CCOc1ccc(CNCc2cnn3cc(Br)cnc23)cc1OC ZINC000638360155 567244861 /nfs/dbraw/zinc/24/48/61/567244861.db2.gz QAZHSUZJLMGHIX-UHFFFAOYSA-N 0 1 391.269 3.189 20 0 GGADMN COC(=O)c1cncc(S(=O)(=O)Nc2cc(Cl)c(C)c(Cl)c2)c1 ZINC000567431128 567244846 /nfs/dbraw/zinc/24/48/46/567244846.db2.gz FARGSVBDXBUNSV-UHFFFAOYSA-N 0 1 375.233 3.284 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Br ZINC000660008584 567246024 /nfs/dbraw/zinc/24/60/24/567246024.db2.gz CSBYTVMGIQVUFD-LBPRGKRZSA-N 0 1 395.750 3.207 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000660008536 567246406 /nfs/dbraw/zinc/24/64/06/567246406.db2.gz CFVFDNYNIYVPFK-NSHDSACASA-N 0 1 384.851 3.464 20 0 GGADMN COc1ccccc1C[C@@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000475428567 567246557 /nfs/dbraw/zinc/24/65/57/567246557.db2.gz DWFKXAMVXCXLIC-PXAZEXFGSA-N 0 1 377.282 3.205 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(OC)ccc2Br)CCN1CCOC ZINC000499422036 567246793 /nfs/dbraw/zinc/24/67/93/567246793.db2.gz LUUZOVUNRURXCO-AWEZNQCLSA-N 0 1 399.329 3.031 20 0 GGADMN COc1ccccc1C[C@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000475428570 567247247 /nfs/dbraw/zinc/24/72/47/567247247.db2.gz DWFKXAMVXCXLIC-YVEFUNNKSA-N 0 1 377.282 3.205 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000660012861 567247669 /nfs/dbraw/zinc/24/76/69/567247669.db2.gz VGBJBXPKAQSELG-LBPRGKRZSA-N 0 1 384.851 3.464 20 0 GGADMN Oc1ccc2c(c1)CCN(Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000590785618 567247648 /nfs/dbraw/zinc/24/76/48/567247648.db2.gz YZKITVFTYOGWJI-UHFFFAOYSA-N 0 1 390.237 3.399 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000660012860 567247846 /nfs/dbraw/zinc/24/78/46/567247846.db2.gz VGBJBXPKAQSELG-GFCCVEGCSA-N 0 1 384.851 3.464 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cccc(Br)c2C)CCN1CCOC ZINC000499432461 567248256 /nfs/dbraw/zinc/24/82/56/567248256.db2.gz COKIFSGYWAPNPH-HNNXBMFYSA-N 0 1 383.330 3.330 20 0 GGADMN CCCN1CC[C@@H](NS(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000660026654 567249022 /nfs/dbraw/zinc/24/90/22/567249022.db2.gz IGSDSRSLXXJCLP-CYBMUJFWSA-N 0 1 395.750 3.006 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCN1CCOC ZINC000499444170 567249251 /nfs/dbraw/zinc/24/92/51/567249251.db2.gz NKRRWGBOKBJKGC-CQSZACIVSA-N 0 1 387.293 3.161 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(C(C)C)CC1 ZINC000525474657 567249262 /nfs/dbraw/zinc/24/92/62/567249262.db2.gz MCJKEQLZGDPISX-QGZVFWFLSA-N 0 1 397.357 3.197 20 0 GGADMN CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nc(SCCO)n[nH]3)cc2C1 ZINC000475457580 567249603 /nfs/dbraw/zinc/24/96/03/567249603.db2.gz IBATYVUEQSDIEM-LLVKDONJSA-N 0 1 380.539 3.354 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(Br)c(C)c2)CCN1CCOC ZINC000499454567 567249900 /nfs/dbraw/zinc/24/99/00/567249900.db2.gz LDFYAVNMNKIZDE-INIZCTEOSA-N 0 1 383.330 3.330 20 0 GGADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000475445394 567249910 /nfs/dbraw/zinc/24/99/10/567249910.db2.gz YKORODJSWQAKTD-SSDOTTSWSA-N 0 1 393.321 3.315 20 0 GGADMN NCc1cc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)ccn1 ZINC000638472303 567250186 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C[C@H](NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000590846418 567251079 /nfs/dbraw/zinc/25/10/79/567251079.db2.gz GKLXCGNBZRJJJF-AFAVFJNCSA-N 0 1 386.323 3.295 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000590846419 567251110 /nfs/dbraw/zinc/25/11/10/567251110.db2.gz GKLXCGNBZRJJJF-JCURWCKSSA-N 0 1 386.323 3.295 20 0 GGADMN C[C@](O)(CN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C(F)(F)F ZINC000567493960 567251028 /nfs/dbraw/zinc/25/10/28/567251028.db2.gz NYYDIIVCBMYQSB-RISCZKNCSA-N 0 1 385.213 3.392 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000590845479 567251282 /nfs/dbraw/zinc/25/12/82/567251282.db2.gz SWKDYULWGKDQJC-VUCTXSBTSA-N 0 1 386.323 3.295 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(F)c(Br)c2)CCN1CCOC ZINC000499465108 567251643 /nfs/dbraw/zinc/25/16/43/567251643.db2.gz QZTVSCHCEJQHCR-AWEZNQCLSA-N 0 1 387.293 3.161 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1Cl ZINC000590846421 567251866 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O=C(CNC[C@@H]1CCCO1)Nc1nnc(-c2c(Cl)cccc2Cl)s1 ZINC000638657587 567264454 /nfs/dbraw/zinc/26/44/54/567264454.db2.gz WLRQHGUBVWTHOQ-VIFPVBQESA-N 0 1 387.292 3.219 20 0 GGADMN CCCC[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433656143 567264751 /nfs/dbraw/zinc/26/47/51/567264751.db2.gz KGYMXGWZYGLCJX-UHFFFAOYSA-N 0 1 389.768 3.174 20 0 GGADMN OCCC[C@H](NCc1cnn2cc(Br)cnc12)c1ccccc1 ZINC000638662924 567264861 /nfs/dbraw/zinc/26/48/61/567264861.db2.gz GVIPCDACRAYLDC-INIZCTEOSA-N 0 1 375.270 3.095 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)c2cccc(Br)c2O)C(=O)N1c1ccccc1 ZINC000525770661 567264933 /nfs/dbraw/zinc/26/49/33/567264933.db2.gz ZPZYZTPMJKAVET-IAQYHMDHSA-N 0 1 389.249 3.079 20 0 GGADMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1c[nH]c(=O)c(Br)c1 ZINC000525756430 567264953 /nfs/dbraw/zinc/26/49/53/567264953.db2.gz HJGNZSYHLKWQOI-UHFFFAOYSA-N 0 1 394.616 3.241 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2ccccc2Br)N(C)C)c1 ZINC000591109145 567265017 /nfs/dbraw/zinc/26/50/17/567265017.db2.gz 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391.656 3.286 20 0 GGADMN NC(=O)CN(Cc1cc(Br)cc(Br)c1)C1CCCC1 ZINC000685409913 567272335 /nfs/dbraw/zinc/27/23/35/567272335.db2.gz GDDWPFAROKERLB-UHFFFAOYSA-N 0 1 390.119 3.442 20 0 GGADMN CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(Br)cc1)[C@H](O)C(F)(F)F ZINC000685413612 567273019 /nfs/dbraw/zinc/27/30/19/567273019.db2.gz OBSUIFWLLXXBJV-XDTLVQLUSA-N 0 1 397.235 3.314 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)c3ccccc3)cc2Br)CC1 ZINC000475753269 567273065 /nfs/dbraw/zinc/27/30/65/567273065.db2.gz RSOXVKGDQKVJBE-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN CCN1CC[C@H](N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000685431718 567273500 /nfs/dbraw/zinc/27/35/00/567273500.db2.gz HFCOZCDUXRZUSD-ZWKOTPCHSA-N 0 1 388.309 3.338 20 0 GGADMN CCOC(=O)c1c[nH]c(NC(=O)Cc2sc(C)nc2-c2cccs2)n1 ZINC000591303281 567273495 /nfs/dbraw/zinc/27/34/95/567273495.db2.gz RNQOVSGLPPGQNC-UHFFFAOYSA-N 0 1 376.463 3.261 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2Br)CC1 ZINC000475757101 567273564 /nfs/dbraw/zinc/27/35/64/567273564.db2.gz KRPZCUHOHZPDHB-OAHLLOKOSA-N 0 1 392.341 3.491 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)CC3CCC3)cc2Br)CC1 ZINC000475758749 567273590 /nfs/dbraw/zinc/27/35/90/567273590.db2.gz JYFOBQWEJFUZEK-UHFFFAOYSA-N 0 1 380.330 3.325 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2NCC(=O)Nc2ccc(Cl)cc2Cl)cnn1C ZINC000548008474 567273578 /nfs/dbraw/zinc/27/35/78/567273578.db2.gz UXCMMDYWVMXKSN-DOTOQJQBSA-N 0 1 383.279 3.094 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nc(-c3cc(Br)cs3)no2)[C@@H](C)C1 ZINC000685414232 567273854 /nfs/dbraw/zinc/27/38/54/567273854.db2.gz KGXVCWXCRIGJIW-PHIMTYICSA-N 0 1 385.331 3.475 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1Br ZINC000685413644 567274374 /nfs/dbraw/zinc/27/43/74/567274374.db2.gz OXQOYCYWMSTEDZ-KBPBESRZSA-N 0 1 397.235 3.233 20 0 GGADMN CN(C)[C@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)c1ccsc1 ZINC000525924461 567274391 /nfs/dbraw/zinc/27/43/91/567274391.db2.gz LMWDHVFSZJELDB-CQSZACIVSA-N 0 1 393.310 3.420 20 0 GGADMN O=S(=O)([N-]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1c(Cl)ccc(F)c1F ZINC000660177879 567274670 /nfs/dbraw/zinc/27/46/70/567274670.db2.gz BSGUNKGFSSZDEE-GFCCVEGCSA-N 0 1 378.872 3.019 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c(Cl)ccc(F)c1F ZINC000660177881 567275445 /nfs/dbraw/zinc/27/54/45/567275445.db2.gz BSGUNKGFSSZDEE-LBPRGKRZSA-N 0 1 378.872 3.019 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000567772888 567275517 /nfs/dbraw/zinc/27/55/17/567275517.db2.gz AZMQMRJQBVHHMJ-ROUUACIJSA-N 0 1 389.293 3.357 20 0 GGADMN O=S(=O)(NCCC1CC1)c1scc(Br)c1Br ZINC000433829082 567275793 /nfs/dbraw/zinc/27/57/93/567275793.db2.gz QCEVDIJQWPOUQL-UHFFFAOYSA-N 0 1 389.134 3.352 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H](C1CC1)C(F)(F)F ZINC000455451748 567277409 /nfs/dbraw/zinc/27/74/09/567277409.db2.gz ULRWLSRFOURSDI-GFCCVEGCSA-N 0 1 391.191 3.466 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000455467495 567278014 /nfs/dbraw/zinc/27/80/14/567278014.db2.gz SMJUFOJJWFEYBD-IINYFYTJSA-N 0 1 386.265 3.155 20 0 GGADMN CCN1CCN(C(=O)Nc2cc(Br)cc(C(=O)OC)c2C)C[C@@H]1C ZINC000591351797 567278467 /nfs/dbraw/zinc/27/84/67/567278467.db2.gz RODXJHUEXZYPJG-NSHDSACASA-N 0 1 398.301 3.102 20 0 GGADMN COc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1Cl ZINC000660187658 567278746 /nfs/dbraw/zinc/27/87/46/567278746.db2.gz AOVKUOMZAZHEAQ-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN CN(C)c1ncccc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000525954024 567279037 /nfs/dbraw/zinc/27/90/37/567279037.db2.gz BSSSGWPRLXVAAX-UHFFFAOYSA-N 0 1 387.237 3.004 20 0 GGADMN CC(=O)c1[nH]c(CCN2CCc3cc(Br)cc(F)c3C2)nc1C ZINC000660209234 567279737 /nfs/dbraw/zinc/27/97/37/567279737.db2.gz IZXDLRQMUGSWPY-UHFFFAOYSA-N 0 1 380.261 3.423 20 0 GGADMN CC(C)Cc1ncc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cn1 ZINC000475829875 567280080 /nfs/dbraw/zinc/28/00/80/567280080.db2.gz RNUCDDIMLDCKEJ-LLVKDONJSA-N 0 1 381.885 3.453 20 0 GGADMN CNC(=O)c1cc2cc(NS(=O)(=O)c3cc(F)ccc3Cl)ccc2[nH]1 ZINC000475829984 567280412 /nfs/dbraw/zinc/28/04/12/567280412.db2.gz MKDCQCZORJEVNI-UHFFFAOYSA-N 0 1 381.816 3.121 20 0 GGADMN C[C@@](N)(C(=O)N1CCc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000567815922 567280437 /nfs/dbraw/zinc/28/04/37/567280437.db2.gz ZOAAFXJGKZUJBW-SFHVURJKSA-N 0 1 377.257 3.347 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCS3(=O)=O)CCS2 ZINC000525973472 567280619 /nfs/dbraw/zinc/28/06/19/567280619.db2.gz PXIDAJVHFOFLFS-KRWDZBQOSA-N 0 1 375.515 3.352 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)CC(=O)Nc2cccc(C)c2)s1 ZINC000525996019 567281165 /nfs/dbraw/zinc/28/11/65/567281165.db2.gz ZSSMHEWNLAEPSF-CQSZACIVSA-N 0 1 380.535 3.357 20 0 GGADMN CC(C)(C)c1csc(CCNS(=O)(=O)c2c(F)cc(F)cc2F)n1 ZINC000591398736 567281602 /nfs/dbraw/zinc/28/16/02/567281602.db2.gz FJOFQRLMOZIQFJ-UHFFFAOYSA-N 0 1 378.441 3.379 20 0 GGADMN Cc1csc([C@@H](C)CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)n1 ZINC000567826193 567282085 /nfs/dbraw/zinc/28/20/85/567282085.db2.gz UVNVHEKYZIKAHJ-QFYYESIMSA-N 0 1 382.327 3.308 20 0 GGADMN O=C(CCc1nc[nH]n1)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000475860225 567282941 /nfs/dbraw/zinc/28/29/41/567282941.db2.gz UFHYBCKSGRUICZ-HNNXBMFYSA-N 0 1 377.286 3.027 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cc(Br)ccn1 ZINC000499897058 567283061 /nfs/dbraw/zinc/28/30/61/567283061.db2.gz POIHGOBCKBVZGX-CYBMUJFWSA-N 0 1 379.258 3.396 20 0 GGADMN CC(C)c1nc([C@H]2CCCCN2CC(=O)NCc2ccc(Cl)s2)n[nH]1 ZINC000685586129 567283636 /nfs/dbraw/zinc/28/36/36/567283636.db2.gz LBCZTBOKYXGOJI-CYBMUJFWSA-N 0 1 381.933 3.486 20 0 GGADMN Brc1cnc2c(CN3CC[C@]4(C3)OCc3ccccc34)cnn2c1 ZINC000639055583 567284319 /nfs/dbraw/zinc/28/43/19/567284319.db2.gz YNFPGEHETSIWIU-GOSISDBHSA-N 0 1 385.265 3.123 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2CC(=O)NCc2ccc(Cl)s2)n[nH]1 ZINC000685586130 567284561 /nfs/dbraw/zinc/28/45/61/567284561.db2.gz LBCZTBOKYXGOJI-ZDUSSCGKSA-N 0 1 381.933 3.486 20 0 GGADMN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000567862166 567284990 /nfs/dbraw/zinc/28/49/90/567284990.db2.gz PYINFORUAMDHPN-WCBMZHEXSA-N 0 1 399.713 3.037 20 0 GGADMN COC[C@H]1CCCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660292955 567285611 /nfs/dbraw/zinc/28/56/11/567285611.db2.gz NFADCTINHGBPQY-LBPRGKRZSA-N 0 1 380.286 3.257 20 0 GGADMN COC[C@@H]1CCCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660292953 567285983 /nfs/dbraw/zinc/28/59/83/567285983.db2.gz NFADCTINHGBPQY-GFCCVEGCSA-N 0 1 380.286 3.257 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCN1C ZINC000526048779 567286716 /nfs/dbraw/zinc/28/67/16/567286716.db2.gz NFPCJXPZMHDLCE-BBRMVZONSA-N 0 1 386.945 3.280 20 0 GGADMN Nc1nc(C2CC2)ncc1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000499971564 567287303 /nfs/dbraw/zinc/28/73/03/567287303.db2.gz XOQUAJGRYDYURM-UHFFFAOYSA-N 0 1 383.633 3.140 20 0 GGADMN OC[C@@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000499954739 567287405 /nfs/dbraw/zinc/28/74/05/567287405.db2.gz YCXZHTBZHDHGLZ-RHSMWYFYSA-N 0 1 388.266 3.333 20 0 GGADMN O=C(CN[C@H](CC1CC1)c1cc(F)cc(Br)c1)Nc1cnccn1 ZINC000660333641 567287569 /nfs/dbraw/zinc/28/75/69/567287569.db2.gz BWCCYISQCRAWQL-OAHLLOKOSA-N 0 1 393.260 3.448 20 0 GGADMN OC[C@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000499954738 567287820 /nfs/dbraw/zinc/28/78/20/567287820.db2.gz YCXZHTBZHDHGLZ-PBHICJAKSA-N 0 1 388.266 3.333 20 0 GGADMN COc1ccc2c(c1)OC[C@H](NCc1cn3ccc(Br)cc3n1)C2 ZINC000685619794 567289274 /nfs/dbraw/zinc/28/92/74/567289274.db2.gz HZNIJXOYTWHZAH-CQSZACIVSA-N 0 1 388.265 3.199 20 0 GGADMN O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c([O-])cnc2c(Br)cccc21 ZINC000685622135 567289305 /nfs/dbraw/zinc/28/93/05/567289305.db2.gz DCMIXVRSMOLOJZ-NWDGAFQWSA-N 0 1 390.281 3.060 20 0 GGADMN O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c([O-])cnc2c(Br)cccc21 ZINC000685622135 567289310 /nfs/dbraw/zinc/28/93/10/567289310.db2.gz DCMIXVRSMOLOJZ-NWDGAFQWSA-N 0 1 390.281 3.060 20 0 GGADMN CC(C)(C)N1CCCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000526074918 567289661 /nfs/dbraw/zinc/28/96/61/567289661.db2.gz SRHDPOAASOZRNF-UHFFFAOYSA-N 0 1 387.933 3.082 20 0 GGADMN COc1ccc([C@H](N[C@@H](C)C(=O)NCCF)C(C)C)c(Br)c1 ZINC000685654523 567290405 /nfs/dbraw/zinc/29/04/05/567290405.db2.gz LMMFGCMMFMPQNB-XHDPSFHLSA-N 0 1 375.282 3.219 20 0 GGADMN O[C@@H]1[C@H](CNCc2nc3cc(Br)ccc3o2)CCC12CCOCC2 ZINC000639142416 567290962 /nfs/dbraw/zinc/29/09/62/567290962.db2.gz CFXBUTAKFXFNBX-YVEFUNNKSA-N 0 1 395.297 3.248 20 0 GGADMN O=C(CCc1nc[nH]n1)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000617219220 567291159 /nfs/dbraw/zinc/29/11/59/567291159.db2.gz WNNOSSLSSWYBQU-UHFFFAOYSA-N 0 1 377.286 3.476 20 0 GGADMN CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000685682113 567291499 /nfs/dbraw/zinc/29/14/99/567291499.db2.gz OGZFEESYCFCAQP-GFCCVEGCSA-N 0 1 392.297 3.306 20 0 GGADMN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1c[nH]nc1C1CC1 ZINC000475989975 567291560 /nfs/dbraw/zinc/29/15/60/567291560.db2.gz UJWQBVIEOORDCN-UHFFFAOYSA-N 0 1 390.216 3.253 20 0 GGADMN Cc1cc(NC(=O)c2nc(Cc3ccc(Br)c(C)c3)no2)no1 ZINC000685697274 567292059 /nfs/dbraw/zinc/29/20/59/567292059.db2.gz QYWSPVNYPQWGSE-UHFFFAOYSA-N 0 1 377.198 3.280 20 0 GGADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2F)s1 ZINC000591683815 567292149 /nfs/dbraw/zinc/29/21/49/567292149.db2.gz VCYRHRBAQZPTSC-ZETCQYMHSA-N 0 1 378.397 3.163 20 0 GGADMN C[C@]1(CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)OCCc2sccc21 ZINC000685661816 567292282 /nfs/dbraw/zinc/29/22/82/567292282.db2.gz JVKBUYGWYQVLGL-MAUKXSAKSA-N 0 1 381.494 3.183 20 0 GGADMN Cc1ccc(OCCN[C@@H](C(N)=O)c2ccc(Br)cc2)c(C)c1 ZINC000591688744 567292467 /nfs/dbraw/zinc/29/24/67/567292467.db2.gz OSYVUNRLGJFMFU-QGZVFWFLSA-N 0 1 377.282 3.261 20 0 GGADMN COc1ccccc1C1(CN[C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591689399 567292484 /nfs/dbraw/zinc/29/24/84/567292484.db2.gz BBZUORSMACJRJD-QGZVFWFLSA-N 0 1 389.293 3.306 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2ccsc2Cl)CC1 ZINC000526098352 567292501 /nfs/dbraw/zinc/29/25/01/567292501.db2.gz BIBDTCIRIYTUOY-UHFFFAOYSA-N 0 1 386.949 3.150 20 0 GGADMN CN(C)C[C@H](NCc1cnn2cc(Br)cnc12)c1ccc(F)cc1 ZINC000639181653 567293526 /nfs/dbraw/zinc/29/35/26/567293526.db2.gz WFUVNNGBZMCGHW-INIZCTEOSA-N 0 1 392.276 3.023 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCSC1 ZINC000685718952 567294429 /nfs/dbraw/zinc/29/44/29/567294429.db2.gz POVYFLBXFJGJJR-MRXNPFEDSA-N 0 1 381.973 3.112 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N3C[C@@H](C)S[C@@H](C)C3)c12 ZINC000567980658 567294991 /nfs/dbraw/zinc/29/49/91/567294991.db2.gz IQOVPCSYNMJCQI-AOOOYVTPSA-N 0 1 380.539 3.090 20 0 GGADMN CSc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000617275750 567296263 /nfs/dbraw/zinc/29/62/63/567296263.db2.gz IZYKKRYPWXAYPA-UHFFFAOYSA-N 0 1 386.470 3.470 20 0 GGADMN NC(=O)C1(NCc2cc(Br)cc(F)c2F)C2CC3CC(C2)CC1C3 ZINC000567994509 567296729 /nfs/dbraw/zinc/29/67/29/567296729.db2.gz NUGWKRIYAFFCCZ-UHFFFAOYSA-N 0 1 399.279 3.497 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)cc1Cl ZINC000591795506 567296800 /nfs/dbraw/zinc/29/68/00/567296800.db2.gz PXGOLPCOEZPGRD-UHFFFAOYSA-N 0 1 390.248 3.293 20 0 GGADMN CCC[C@@H](NC(=O)Cc1csc2ccc(Br)cc12)c1nn[nH]n1 ZINC000526914999 567296907 /nfs/dbraw/zinc/29/69/07/567296907.db2.gz QYVSOOOIZPJQTB-GFCCVEGCSA-N 0 1 394.298 3.377 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000568029523 567299347 /nfs/dbraw/zinc/29/93/47/567299347.db2.gz LKLYWVBUAXBMEW-OQPBUACISA-N 0 1 390.698 3.184 20 0 GGADMN C[C@H](c1nc(Cc2cc(Br)c[nH]c2=O)no1)N1[C@H](C)CC[C@H]1C ZINC000526954534 567299519 /nfs/dbraw/zinc/29/95/19/567299519.db2.gz YPPNJFOSHFIBIH-GMTAPVOTSA-N 0 1 381.274 3.457 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000500125693 567300138 /nfs/dbraw/zinc/30/01/38/567300138.db2.gz UYUNGPANLIAXBT-CYBMUJFWSA-N 0 1 393.322 3.131 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000500125694 567300174 /nfs/dbraw/zinc/30/01/74/567300174.db2.gz UYUNGPANLIAXBT-ZDUSSCGKSA-N 0 1 393.322 3.131 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000500107405 567300368 /nfs/dbraw/zinc/30/03/68/567300368.db2.gz GJKXJBLKJFLJKL-ZDUSSCGKSA-N 0 1 380.432 3.128 20 0 GGADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000500107403 567301303 /nfs/dbraw/zinc/30/13/03/567301303.db2.gz GJKXJBLKJFLJKL-CYBMUJFWSA-N 0 1 380.432 3.128 20 0 GGADMN O=C(CN1CC[C@@]2(C1)CCCOC2)c1c[nH]c2ncc(Br)cc12 ZINC000660497384 567301556 /nfs/dbraw/zinc/30/15/56/567301556.db2.gz XCIAXNPNJXESTN-QGZVFWFLSA-N 0 1 378.270 3.011 20 0 GGADMN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000476170158 567302125 /nfs/dbraw/zinc/30/21/25/567302125.db2.gz UKDSSNSHABTXPI-BDJLRTHQSA-N 0 1 378.270 3.215 20 0 GGADMN O=C(N[C@H](CCO)c1ccccc1Br)c1[nH]nc2c1CCCCC2 ZINC000476193228 567303000 /nfs/dbraw/zinc/30/30/00/567303000.db2.gz OXDPAQSMRFLKHJ-OAHLLOKOSA-N 0 1 392.297 3.295 20 0 GGADMN O=C(N[C@@H](CCO)c1ccccc1Br)c1[nH]nc2c1CCCCC2 ZINC000476193227 567303466 /nfs/dbraw/zinc/30/34/66/567303466.db2.gz OXDPAQSMRFLKHJ-HNNXBMFYSA-N 0 1 392.297 3.295 20 0 GGADMN O=C1Nc2ccccc2[C@]12CCN(Cc1cn3ccc(Br)cc3n1)C2 ZINC000685843953 567304185 /nfs/dbraw/zinc/30/41/85/567304185.db2.gz BWPHTSPTRVAEKU-LJQANCHMSA-N 0 1 397.276 3.193 20 0 GGADMN COc1ccc(Br)c(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000685851742 567304728 /nfs/dbraw/zinc/30/47/28/567304728.db2.gz QXPMAMYGUZVQHC-IRXDYDNUSA-N 0 1 384.314 3.258 20 0 GGADMN COc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000685851320 567304868 /nfs/dbraw/zinc/30/48/68/567304868.db2.gz IEIQMUJDGDYMLW-IRXDYDNUSA-N 0 1 384.314 3.258 20 0 GGADMN CSc1nc(=O)n(Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)[nH]1 ZINC000526997965 567305039 /nfs/dbraw/zinc/30/50/39/567305039.db2.gz OKKUEQYAKBUWLF-UHFFFAOYSA-N 0 1 395.897 3.136 20 0 GGADMN COC(=O)[C@@H]1CN(c2ccnc3cc(OC)c(Br)cc32)C[C@H]1C ZINC000591952242 567305773 /nfs/dbraw/zinc/30/57/73/567305773.db2.gz DIPKPESUIQXUBG-ZYHUDNBSSA-N 0 1 379.254 3.251 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000548303539 567306298 /nfs/dbraw/zinc/30/62/98/567306298.db2.gz NMXYUELNOVVMHA-LLVKDONJSA-N 0 1 378.885 3.019 20 0 GGADMN CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000476216504 567306321 /nfs/dbraw/zinc/30/63/21/567306321.db2.gz GZZUTOFJPJQXJL-UHFFFAOYSA-N 0 1 392.264 3.013 20 0 GGADMN Cc1cc(C)c(C(=O)Nc2ccc3[nH]nnc3c2)cc1I ZINC000476236653 567307412 /nfs/dbraw/zinc/30/74/12/567307412.db2.gz VSUFMACCUBNPGB-UHFFFAOYSA-N 0 1 392.200 3.432 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2nsc3ccccc32)CC1 ZINC000660557732 567307619 /nfs/dbraw/zinc/30/76/19/567307619.db2.gz OQQJZGUESFJNMX-AWEZNQCLSA-N 0 1 381.567 3.178 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000500231833 567307792 /nfs/dbraw/zinc/30/77/92/567307792.db2.gz VDSXHDCFICIPLR-OAHLLOKOSA-N 0 1 398.272 3.299 20 0 GGADMN COCCOc1ccccc1NS(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000685899853 567307826 /nfs/dbraw/zinc/30/78/26/567307826.db2.gz OGYVEDGYGYDCSK-UHFFFAOYSA-N 0 1 385.869 3.312 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NC(C)=O)cc1OC ZINC000592006541 567308617 /nfs/dbraw/zinc/30/86/17/567308617.db2.gz IFSYESAVTJJHEX-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN COCC1(CN[C@@H](C(N)=O)c2ccc(Br)cc2F)CCCCC1 ZINC000685907933 567308805 /nfs/dbraw/zinc/30/88/05/567308805.db2.gz FYVKUENPKKNUFJ-OAHLLOKOSA-N 0 1 387.293 3.301 20 0 GGADMN COCC1(CN[C@H](C(N)=O)c2ccc(Br)cc2F)CCCCC1 ZINC000685907932 567308865 /nfs/dbraw/zinc/30/88/65/567308865.db2.gz FYVKUENPKKNUFJ-HNNXBMFYSA-N 0 1 387.293 3.301 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1 ZINC000500242012 567309123 /nfs/dbraw/zinc/30/91/23/567309123.db2.gz NJSALCDRTSFYQM-YMXBGEKHSA-N 0 1 380.872 3.112 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)c2cc3sc(N4CCCC4)nc3s2)CN1C1CC1 ZINC000476299438 567312253 /nfs/dbraw/zinc/31/22/53/567312253.db2.gz KPKVCDHIDSIMNW-NEPJUHHUSA-N 0 1 376.551 3.313 20 0 GGADMN CN(CCc1cnccn1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000639609133 567313322 /nfs/dbraw/zinc/31/33/22/567313322.db2.gz LSGVDSDLMYHTOB-UHFFFAOYSA-N 0 1 394.313 3.063 20 0 GGADMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000476312180 567313481 /nfs/dbraw/zinc/31/34/81/567313481.db2.gz YIZYJKBLKAWVGG-YPMHNXCESA-N 0 1 376.551 3.171 20 0 GGADMN CC1(C)Cc2c(cccc2Br)[C@@H]1NCC(=O)Nc1cnccn1 ZINC000660612937 567313844 /nfs/dbraw/zinc/31/38/44/567313844.db2.gz IUGQWWNWAPRVFI-INIZCTEOSA-N 0 1 375.270 3.091 20 0 GGADMN O=S(=O)(NC[C@H](CO)c1ccccc1Cl)c1c(Cl)ccc(F)c1F ZINC000568240770 567313962 /nfs/dbraw/zinc/31/39/62/567313962.db2.gz BBBZKCXOVVUORA-SECBINFHSA-N 0 1 396.242 3.326 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434558391 567313948 /nfs/dbraw/zinc/31/39/48/567313948.db2.gz SNNMEORREFNDKN-AWEZNQCLSA-N 0 1 381.929 3.134 20 0 GGADMN Brc1c2ccccc2oc1CN1CCC[C@@H](N2CCOCC2)C1 ZINC000660649406 567314446 /nfs/dbraw/zinc/31/44/46/567314446.db2.gz APTKOYMLFRQWEP-CQSZACIVSA-N 0 1 379.298 3.492 20 0 GGADMN CCOC(=O)c1oc2ccc(Br)cc2c1CN(C)Cc1nnc[nH]1 ZINC000434613346 567314934 /nfs/dbraw/zinc/31/49/34/567314934.db2.gz ANEIGSMPVMCMEL-UHFFFAOYSA-N 0 1 393.241 3.122 20 0 GGADMN O=c1cc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc[nH]1 ZINC000639619489 567315264 /nfs/dbraw/zinc/31/52/64/567315264.db2.gz DTTKULLHYUCWHR-ZDUSSCGKSA-N 0 1 391.187 3.392 20 0 GGADMN CCCn1nccc1NC(=O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000639642867 567315494 /nfs/dbraw/zinc/31/54/94/567315494.db2.gz WNWNMXAEKPLFGA-HNNXBMFYSA-N 0 1 385.295 3.252 20 0 GGADMN COC(=O)[C@@H]1CN(Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C ZINC000592129214 567316108 /nfs/dbraw/zinc/31/61/08/567316108.db2.gz LWQCLYUFLAGERQ-BXUZGUMPSA-N 0 1 379.254 3.345 20 0 GGADMN CSCC[C@H](NCc1cc2cc(Br)ccc2o1)C(=O)N(C)C ZINC000568273214 567316917 /nfs/dbraw/zinc/31/69/17/567316917.db2.gz MVNCWZTWSIGJMD-AWEZNQCLSA-N 0 1 385.327 3.495 20 0 GGADMN CCOCC[C@@H](O)CN1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000434633044 567317410 /nfs/dbraw/zinc/31/74/10/567317410.db2.gz CZPOYMLREULNJD-RTBURBONSA-N 0 1 399.373 3.305 20 0 GGADMN CN(C)[C@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)c1cccs1 ZINC000527154235 567317766 /nfs/dbraw/zinc/31/77/66/567317766.db2.gz ISIYFBCIZFSUNV-CYBMUJFWSA-N 0 1 393.310 3.420 20 0 GGADMN Cc1nc2cccc(C(=O)N[C@@H](CCO)c3ccccc3Br)c2[nH]1 ZINC000568299638 567318477 /nfs/dbraw/zinc/31/84/77/567318477.db2.gz NVHMFFLSKQWLAG-HNNXBMFYSA-N 0 1 388.265 3.487 20 0 GGADMN CN1CCN(CCCSc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000548476312 567318843 /nfs/dbraw/zinc/31/88/43/567318843.db2.gz LLHJWLHMFHGVCM-UHFFFAOYSA-N 0 1 397.342 3.229 20 0 GGADMN O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc(Br)c1O ZINC000527195221 567318758 /nfs/dbraw/zinc/31/87/58/567318758.db2.gz GOZCYVZWDSZZQT-HNNXBMFYSA-N 0 1 395.297 3.208 20 0 GGADMN CN(CCN1CCCC1)S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500418217 567319494 /nfs/dbraw/zinc/31/94/94/567319494.db2.gz YJRDDHPSIGVSHY-UHFFFAOYSA-N 0 1 385.942 3.180 20 0 GGADMN Cc1cc(CNC(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)n[nH]1 ZINC000660715348 567320015 /nfs/dbraw/zinc/32/00/15/567320015.db2.gz NKJPTZKXGUGNFU-WBMJQRKESA-N 0 1 393.285 3.152 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1C ZINC000500431806 567320310 /nfs/dbraw/zinc/32/03/10/567320310.db2.gz ZDJWQSMEQDOBFV-GJZGRUSLSA-N 0 1 379.551 3.351 20 0 GGADMN O=C(CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1cc(Cl)ccc1Cl ZINC000639767924 567320408 /nfs/dbraw/zinc/32/04/08/567320408.db2.gz PMFXPRNPKLUUQU-WBVHZDCISA-N 0 1 387.307 3.232 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)N(C)C1CC1 ZINC000500423388 567320482 /nfs/dbraw/zinc/32/04/82/567320482.db2.gz SOLKLCBIFBRQMU-NSHDSACASA-N 0 1 385.942 3.225 20 0 GGADMN O=C(CN[C@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1cc(Cl)ccc1Cl ZINC000639767922 567320503 /nfs/dbraw/zinc/32/05/03/567320503.db2.gz PMFXPRNPKLUUQU-NVXWUHKLSA-N 0 1 387.307 3.232 20 0 GGADMN C[C@H](CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)N(C)C1CC1 ZINC000500423387 567320743 /nfs/dbraw/zinc/32/07/43/567320743.db2.gz SOLKLCBIFBRQMU-LLVKDONJSA-N 0 1 385.942 3.225 20 0 GGADMN O=C(c1cnc[nH]1)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000527201283 567320878 /nfs/dbraw/zinc/32/08/78/567320878.db2.gz GRUQMZKLNBDWLY-ZDUSSCGKSA-N 0 1 388.225 3.200 20 0 GGADMN Cc1nc(NC(=O)N(C)Cc2nnc[nH]2)sc1Cc1cccc(Cl)c1 ZINC000455918898 567321550 /nfs/dbraw/zinc/32/15/50/567321550.db2.gz GRVUQTWAFKWOPJ-UHFFFAOYSA-N 0 1 376.873 3.478 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000527225117 567322111 /nfs/dbraw/zinc/32/21/11/567322111.db2.gz DNKRWTQXHUMKKQ-XXILOJSOSA-N 0 1 383.315 3.328 20 0 GGADMN COCCn1cc(CNCc2ccc(OC(F)F)c(Br)c2)cn1 ZINC000500448670 567322446 /nfs/dbraw/zinc/32/24/46/567322446.db2.gz RGLMWRZHRMDVFC-UHFFFAOYSA-N 0 1 390.228 3.183 20 0 GGADMN CC(C)(C)n1nnc(CCN2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000660724061 567322490 /nfs/dbraw/zinc/32/24/90/567322490.db2.gz QGGIQCGGNPUVBA-CQSZACIVSA-N 0 1 378.318 3.223 20 0 GGADMN CC(C)(C)n1nnc(CCN2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000660724060 567322759 /nfs/dbraw/zinc/32/27/59/567322759.db2.gz QGGIQCGGNPUVBA-AWEZNQCLSA-N 0 1 378.318 3.223 20 0 GGADMN CC(C)(CNS(=O)(=O)c1csc(-c2ccccc2)n1)N1CCCCC1 ZINC000500442886 567323171 /nfs/dbraw/zinc/32/31/71/567323171.db2.gz WLQUXCFMBJFXIH-UHFFFAOYSA-N 0 1 379.551 3.353 20 0 GGADMN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC000434737793 567323766 /nfs/dbraw/zinc/32/37/66/567323766.db2.gz QLFZCZANGVDCCK-GOSISDBHSA-N 0 1 376.547 3.415 20 0 GGADMN COC[C@@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660756624 567324174 /nfs/dbraw/zinc/32/41/74/567324174.db2.gz CLXYKXKDELLAGA-GFCCVEGCSA-N 0 1 380.286 3.257 20 0 GGADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434740839 567324512 /nfs/dbraw/zinc/32/45/12/567324512.db2.gz YVMGKKYIDBWLGB-BBRMVZONSA-N 0 1 376.444 3.266 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c1 ZINC000500460985 567324783 /nfs/dbraw/zinc/32/47/83/567324783.db2.gz MLAQXCDXXHAXSR-UHFFFAOYSA-N 0 1 384.870 3.006 20 0 GGADMN CN1CCN(C(=O)c2ccc(Cl)c(I)c2)C(C)(C)C1 ZINC000500493005 567325466 /nfs/dbraw/zinc/32/54/66/567325466.db2.gz MGUNIFSKMZXYHA-UHFFFAOYSA-N 0 1 392.668 3.111 20 0 GGADMN C[C@@H](NC(=O)CN(C1CC1)C1(CO)CCC1)c1ccc(Br)cc1 ZINC000660773988 567325685 /nfs/dbraw/zinc/32/56/85/567325685.db2.gz DGINOIMILINBES-CYBMUJFWSA-N 0 1 381.314 3.006 20 0 GGADMN O=S1(=O)CCCN1[C@H]1CCCN(Cc2ccc(-c3ccsc3)cc2)C1 ZINC000434755477 567325779 /nfs/dbraw/zinc/32/57/79/567325779.db2.gz XKLPBPAXTHJQGM-IBGZPJMESA-N 0 1 376.547 3.415 20 0 GGADMN CCCOc1c(Br)cc(C(=O)N2CCN(C)CC2(C)C)cc1OC ZINC000500496581 567326071 /nfs/dbraw/zinc/32/60/71/567326071.db2.gz QYWMJQLSNNSDFA-UHFFFAOYSA-N 0 1 399.329 3.413 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000476470592 567326207 /nfs/dbraw/zinc/32/62/07/567326207.db2.gz HKHGHUARMCVMAF-CYBMUJFWSA-N 0 1 379.555 3.104 20 0 GGADMN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccsc3)cc2)C1 ZINC000434755478 567326533 /nfs/dbraw/zinc/32/65/33/567326533.db2.gz XKLPBPAXTHJQGM-LJQANCHMSA-N 0 1 376.547 3.415 20 0 GGADMN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)NCc1cc(C)[nH]n1 ZINC000592258184 567326809 /nfs/dbraw/zinc/32/68/09/567326809.db2.gz RGBMUDJJDQYWOD-UHFFFAOYSA-N 0 1 376.360 3.297 20 0 GGADMN O=C(CNCc1ccc(F)c(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000500501981 567327081 /nfs/dbraw/zinc/32/70/81/567327081.db2.gz WDJSEGLKVLIBSJ-MRXNPFEDSA-N 0 1 393.256 3.318 20 0 GGADMN Cc1ccc(Br)cc1-c1n[n-]c(=NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000527294181 567328120 /nfs/dbraw/zinc/32/81/20/567328120.db2.gz MEJBZVDALWOYHD-GFCCVEGCSA-N 0 1 381.343 3.452 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@H]1CCCCN1C1CC1 ZINC000434778914 567328788 /nfs/dbraw/zinc/32/87/88/567328788.db2.gz VVNWUPGKJCXUAL-OAHLLOKOSA-N 0 1 376.444 3.142 20 0 GGADMN Cc1ccc(CNCc2ccncc2OCC[NH+](C)C)cc1Br ZINC000568439112 567328851 /nfs/dbraw/zinc/32/88/51/567328851.db2.gz YVSMCPHDQBYCHJ-UHFFFAOYSA-N 0 1 378.314 3.383 20 0 GGADMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000500533750 567329080 /nfs/dbraw/zinc/32/90/80/567329080.db2.gz GKEWSJJDHPUEQH-RDBSUJKOSA-N 0 1 388.339 3.021 20 0 GGADMN O=C(CNCc1csc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000500533268 567329340 /nfs/dbraw/zinc/32/93/40/567329340.db2.gz NWJZSISMUVAWQL-CYBMUJFWSA-N 0 1 381.295 3.240 20 0 GGADMN O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000476506092 567329792 /nfs/dbraw/zinc/32/97/92/567329792.db2.gz FUYUHDLNGNSQJC-UHFFFAOYSA-N 0 1 375.324 3.157 20 0 GGADMN COC[C@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000434795815 567330562 /nfs/dbraw/zinc/33/05/62/567330562.db2.gz RJCNXVNOPZNFPF-STQMWFEESA-N 0 1 380.794 3.081 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000568480250 567331656 /nfs/dbraw/zinc/33/16/56/567331656.db2.gz IWMPXPWURKKVCK-AWEZNQCLSA-N 0 1 391.313 3.191 20 0 GGADMN CCOc1cc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc(Br)c1OC ZINC000568476533 567331670 /nfs/dbraw/zinc/33/16/70/567331670.db2.gz YKIMORHBZRDWAO-UKRRQHHQSA-N 0 1 397.313 3.099 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000456033225 567332017 /nfs/dbraw/zinc/33/20/17/567332017.db2.gz YNLPBAQMWCDGGZ-AEGPPILISA-N 0 1 385.335 3.401 20 0 GGADMN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCN1CC(C)(C)O ZINC000456028285 567332046 /nfs/dbraw/zinc/33/20/46/567332046.db2.gz POPGDNFUZQZVMN-AEGPPILISA-N 0 1 385.335 3.401 20 0 GGADMN CSCC[C@@H](NC(=O)c1ccccc1Cl)c1nc([C@H]2CCCN2)no1 ZINC000592357707 567332230 /nfs/dbraw/zinc/33/22/30/567332230.db2.gz LKTVENNECIXQHA-ZIAGYGMSSA-N 0 1 380.901 3.372 20 0 GGADMN CCOc1cc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc(Br)c1OC ZINC000568476532 567332455 /nfs/dbraw/zinc/33/24/55/567332455.db2.gz YKIMORHBZRDWAO-HIFRSBDPSA-N 0 1 397.313 3.099 20 0 GGADMN Ic1ccc(OCCCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357304 567332412 /nfs/dbraw/zinc/33/24/12/567332412.db2.gz VSNNFKRRKFFMKW-ZDUSSCGKSA-N 0 1 399.232 3.110 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1c(C)cccc1F)c1ccc(Cl)c(F)c1 ZINC000476527383 567332532 /nfs/dbraw/zinc/33/25/32/567332532.db2.gz YSBAEHIMVLOZDU-AWEZNQCLSA-N 0 1 389.807 3.119 20 0 GGADMN Cc1cc(C)c(C(=O)N2C[C@H](C)N(C)C[C@H]2C)cc1I ZINC000476522704 567332578 /nfs/dbraw/zinc/33/25/78/567332578.db2.gz RRVXPXLPTFEREC-QWHCGFSZSA-N 0 1 386.277 3.073 20 0 GGADMN Fc1cc(F)c(-c2nc([C@@H]3CCCN3)no2)cc1I ZINC000592357046 567332536 /nfs/dbraw/zinc/33/25/36/567332536.db2.gz QFUYVLKLULLNBI-JTQLQIEISA-N 0 1 377.132 3.044 20 0 GGADMN Ic1ccc(C2(c3nc([C@H]4CCCN4)no3)CC2)cc1 ZINC000592356466 567332740 /nfs/dbraw/zinc/33/27/40/567332740.db2.gz ZIVKNYZMLBLPJJ-GFCCVEGCSA-N 0 1 381.217 3.179 20 0 GGADMN CCOc1ncccc1CNCCC(=O)Nc1ccc(Br)cc1 ZINC000568501471 567332967 /nfs/dbraw/zinc/33/29/67/567332967.db2.gz XKELLIDIOHOZIU-UHFFFAOYSA-N 0 1 378.270 3.361 20 0 GGADMN CC[C@@H](NC(=O)c1csc(=NC2CC2)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000476542103 567333657 /nfs/dbraw/zinc/33/36/57/567333657.db2.gz RHKDXXNQAOBKBG-MRVPVSSYSA-N 0 1 376.429 3.496 20 0 GGADMN CN1CCC[C@H](NCc2cc(Cl)cc(S(N)(=O)=O)c2)c2ccccc21 ZINC000568518594 567334492 /nfs/dbraw/zinc/33/44/92/567334492.db2.gz IRBLOQPDCNUNMD-KRWDZBQOSA-N 0 1 379.913 3.048 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000617789277 567334767 /nfs/dbraw/zinc/33/47/67/567334767.db2.gz CQAGAVGHIPCVJA-UHFFFAOYSA-N 0 1 382.295 3.173 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(C)[C@H](C)[C@H]2C)cc1I ZINC000476560349 567335172 /nfs/dbraw/zinc/33/51/72/567335172.db2.gz GREGAQXBJMNGSX-CHWSQXEVSA-N 0 1 386.277 3.073 20 0 GGADMN CC(C)(CC[NH+]1CCCCCC1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000476567718 567336087 /nfs/dbraw/zinc/33/60/87/567336087.db2.gz GTKFHLBARSWYIU-UHFFFAOYSA-N 0 1 393.347 3.365 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@H]1C ZINC000500666177 567337008 /nfs/dbraw/zinc/33/70/08/567337008.db2.gz JPYNGNYUACLDNP-VXGBXAGGSA-N 0 1 393.322 3.129 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@@H]1C ZINC000500666173 567337157 /nfs/dbraw/zinc/33/71/57/567337157.db2.gz JPYNGNYUACLDNP-NWDGAFQWSA-N 0 1 393.322 3.129 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@H]1C ZINC000500666170 567337188 /nfs/dbraw/zinc/33/71/88/567337188.db2.gz JPYNGNYUACLDNP-NEPJUHHUSA-N 0 1 393.322 3.129 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660987247 567338293 /nfs/dbraw/zinc/33/82/93/567338293.db2.gz UEAADBOMNJTIEX-NHYWBVRUSA-N 0 1 381.274 3.090 20 0 GGADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000527476719 567338176 /nfs/dbraw/zinc/33/81/76/567338176.db2.gz SHKJXYHNYOGAGP-HNNXBMFYSA-N 0 1 389.293 3.407 20 0 GGADMN CN(C[C@@H]1CCCN(CCCc2c(F)cccc2Cl)C1)S(C)(=O)=O ZINC000568564848 567338591 /nfs/dbraw/zinc/33/85/91/567338591.db2.gz DJFOQKNLURUPCH-AWEZNQCLSA-N 0 1 376.925 3.015 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(Br)c1O ZINC000592446849 567338988 /nfs/dbraw/zinc/33/89/88/567338988.db2.gz RLZMAQBFQVTNNM-UHFFFAOYSA-N 0 1 391.265 3.428 20 0 GGADMN O=C(CNC(=O)c1cccc(Br)c1O)Nc1ccc(Cl)cc1 ZINC000592451454 567339401 /nfs/dbraw/zinc/33/94/01/567339401.db2.gz DUOFTUQONIHARN-UHFFFAOYSA-N 0 1 383.629 3.177 20 0 GGADMN COc1ccc(CN(C)C(=O)c2cccc(Br)c2O)c(OC)c1 ZINC000592451634 567339464 /nfs/dbraw/zinc/33/94/64/567339464.db2.gz XMUGDXGBEPZNBU-UHFFFAOYSA-N 0 1 380.238 3.444 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)N(C)Cc2csc(Br)c2)cn1 ZINC000548631037 567339548 /nfs/dbraw/zinc/33/95/48/567339548.db2.gz YTHAWDFGGDARRH-UHFFFAOYSA-N 0 1 394.298 3.389 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660987248 567340129 /nfs/dbraw/zinc/34/01/29/567340129.db2.gz UEAADBOMNJTIEX-XHDPSFHLSA-N 0 1 381.274 3.090 20 0 GGADMN O[C@@H]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@@H]2CCCC[C@H]12 ZINC000640091301 567340357 /nfs/dbraw/zinc/34/03/57/567340357.db2.gz MIUIBRXHRQOQKX-QJPTWQEYSA-N 0 1 382.258 3.218 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2NCC(=O)Nc2ccc(Cl)c(Cl)c2)cnn1C ZINC000548664445 567340747 /nfs/dbraw/zinc/34/07/47/567340747.db2.gz HFYFUVYAHLUVFN-DOTOQJQBSA-N 0 1 383.279 3.094 20 0 GGADMN O=c1cc(CN[C@@H](c2cncc(Br)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000568601540 567341685 /nfs/dbraw/zinc/34/16/85/567341685.db2.gz ZNGKYQWRMPFZNR-MRXNPFEDSA-N 0 1 375.270 3.458 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000548679580 567341902 /nfs/dbraw/zinc/34/19/02/567341902.db2.gz VFZKRJCYKGSPAT-QZTJIDSGSA-N 0 1 395.341 3.252 20 0 GGADMN O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNc1ccc2ccc(Cl)c(Cl)c2n1 ZINC000527566813 567341975 /nfs/dbraw/zinc/34/19/75/567341975.db2.gz YRWOMKBGLZHMCJ-DMDPSCGWSA-N 0 1 378.263 3.048 20 0 GGADMN O=C(Nc1sccc1C(=O)N1C[C@@H](F)[C@@H](F)C1)c1ccc(Cl)cc1O ZINC000456109921 567342914 /nfs/dbraw/zinc/34/29/14/567342914.db2.gz QAJZTQJKUPOUME-TXEJJXNPSA-N 0 1 386.807 3.491 20 0 GGADMN COc1ccc([C@H](NCc2ccc(C(N)=O)nc2)C(C)C)c(Br)c1 ZINC000568614815 567342974 /nfs/dbraw/zinc/34/29/74/567342974.db2.gz FCNQLRSXHADKRW-QGZVFWFLSA-N 0 1 392.297 3.439 20 0 GGADMN CCC[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)CCN1CCOC ZINC000500776348 567344327 /nfs/dbraw/zinc/34/43/27/567344327.db2.gz HDFWPZRATGWKON-QGZVFWFLSA-N 0 1 398.345 3.091 20 0 GGADMN Cc1nn(C)c(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1Br ZINC000640162231 567344747 /nfs/dbraw/zinc/34/47/47/567344747.db2.gz MKLHYAXVLBFCRG-CYBMUJFWSA-N 0 1 398.280 3.055 20 0 GGADMN C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000568641325 567345232 /nfs/dbraw/zinc/34/52/32/567345232.db2.gz JVFAMZNDSBDAIU-MRXNPFEDSA-N 0 1 394.265 3.019 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(CN(C)C)c2)cs1 ZINC000500792832 567345615 /nfs/dbraw/zinc/34/56/15/567345615.db2.gz HARLMGUWRHKUSG-UHFFFAOYSA-N 0 1 388.898 3.051 20 0 GGADMN COC(=O)[C@@H]1CNCCCN1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000592550082 567345767 /nfs/dbraw/zinc/34/57/67/567345767.db2.gz FJOQDFRHASCATG-JTQLQIEISA-N 0 1 387.288 3.185 20 0 GGADMN COC(=O)[C@H]1CNCCCN1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000592550083 567345869 /nfs/dbraw/zinc/34/58/69/567345869.db2.gz FJOQDFRHASCATG-SNVBAGLBSA-N 0 1 387.288 3.185 20 0 GGADMN COc1cc(CN[C@H](C)c2cncc(Br)c2)ccc1OCCO ZINC000568664720 567346788 /nfs/dbraw/zinc/34/67/88/567346788.db2.gz RINRRKOFKFCZAN-GFCCVEGCSA-N 0 1 381.270 3.075 20 0 GGADMN Cn1c(C[N@@H+](C2CC2)C2(C(=O)[O-])CCC2)nc2ccc(Br)cc21 ZINC000568648304 567346878 /nfs/dbraw/zinc/34/68/78/567346878.db2.gz FUNXUSHWNSNLIS-UHFFFAOYSA-N 0 1 378.270 3.308 20 0 GGADMN Cc1cccc(S(=O)(=O)N(CCN(C)C)C2CCCC2)c1Br ZINC000435209304 567348169 /nfs/dbraw/zinc/34/81/69/567348169.db2.gz BNYJMYJCYWWHDH-UHFFFAOYSA-N 0 1 389.359 3.252 20 0 GGADMN C[C@H](NC(=O)CN(CCOCCO)C1CCC1)c1ccc(Cl)cc1Cl ZINC000661101943 567348321 /nfs/dbraw/zinc/34/83/21/567348321.db2.gz SSVVJNBALNIPBQ-ZDUSSCGKSA-N 0 1 389.323 3.034 20 0 GGADMN Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1Br ZINC000435207576 567348275 /nfs/dbraw/zinc/34/82/75/567348275.db2.gz MNCUMUOYNXOGIT-AWEZNQCLSA-N 0 1 387.343 3.006 20 0 GGADMN Cc1cccc(S(=O)(=O)NCC(C)(C)N2CCCCC2)c1Br ZINC000435210447 567348443 /nfs/dbraw/zinc/34/84/43/567348443.db2.gz IVIMFWJXOJNZPO-UHFFFAOYSA-N 0 1 389.359 3.300 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1Br ZINC000435214349 567349373 /nfs/dbraw/zinc/34/93/73/567349373.db2.gz DVUQOHOCJCEHOH-TZMCWYRMSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c1Br ZINC000435219300 567349966 /nfs/dbraw/zinc/34/99/66/567349966.db2.gz ZZVUGNDLWQRGHH-AWEZNQCLSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@H]1CCO ZINC000618006722 567351157 /nfs/dbraw/zinc/35/11/57/567351157.db2.gz RUORHSJGCDZQSW-OCCSQVGLSA-N 0 1 392.297 3.462 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)CCCCc2ccc(Br)cc2)[C@H](C)C1 ZINC000476824504 567351194 /nfs/dbraw/zinc/35/11/94/567351194.db2.gz HVUOZFGQMCQNGW-CVEARBPZSA-N 0 1 397.357 3.075 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1nc2ccccc2cc1Br ZINC000568735149 567351804 /nfs/dbraw/zinc/35/18/04/567351804.db2.gz YBQQSQBMYHMPOF-UHFFFAOYSA-N 0 1 394.232 3.252 20 0 GGADMN C[C@@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)C[C@H](C)N1CCO ZINC000456206821 567352178 /nfs/dbraw/zinc/35/21/78/567352178.db2.gz FXPKGMDULUBZJE-TXEJJXNPSA-N 0 1 379.353 3.291 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000661165225 567352421 /nfs/dbraw/zinc/35/24/21/567352421.db2.gz SAEMNMBMVMTVEC-UHFFFAOYSA-N 0 1 383.315 3.497 20 0 GGADMN C[C@@H]1CN(C(C)(C)CNCc2ncc(Cl)cc2Br)C[C@H](C)O1 ZINC000527633659 567352492 /nfs/dbraw/zinc/35/24/92/567352492.db2.gz PQSNPQUAJVUVPT-TXEJJXNPSA-N 0 1 390.753 3.475 20 0 GGADMN C[C@@H]1CN(C(C)(C)CNCc2ncc(Cl)cc2Br)C[C@@H](C)O1 ZINC000527633660 567353271 /nfs/dbraw/zinc/35/32/71/567353271.db2.gz PQSNPQUAJVUVPT-VXGBXAGGSA-N 0 1 390.753 3.475 20 0 GGADMN CC(C)(O)CN(Cc1c(F)ccc(Br)c1F)C1CCOCC1 ZINC000548843903 567355136 /nfs/dbraw/zinc/35/51/36/567355136.db2.gz GGDKQPMKIUWBHI-UHFFFAOYSA-N 0 1 378.257 3.479 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccc2cccc(Br)c2n1 ZINC000500937302 567354648 /nfs/dbraw/zinc/35/46/48/567354648.db2.gz BHKIEUAGLHYNOB-UHFFFAOYSA-N 0 1 381.233 3.477 20 0 GGADMN O=C1[C@H]2CN(Cc3cccc(Br)c3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000661176831 567354641 /nfs/dbraw/zinc/35/46/41/567354641.db2.gz JNRWNRDCEFWJKI-HDICACEKSA-N 0 1 399.288 3.066 20 0 GGADMN O=C1[C@H]2CN(Cc3ccc(Br)cc3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000661181761 567354874 /nfs/dbraw/zinc/35/48/74/567354874.db2.gz ZZUYTCCCWTVHJR-HDICACEKSA-N 0 1 399.288 3.066 20 0 GGADMN CC[C@@H](CSC)N(C)c1nc(C[NH+](C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000568767316 567355155 /nfs/dbraw/zinc/35/51/55/567355155.db2.gz OSAWVXHFEHWZRW-NSHDSACASA-N 0 1 382.555 3.337 20 0 GGADMN Clc1cnc(CNC[C@@H]2CCCN2c2cccnn2)c(Br)c1 ZINC000527655435 567355965 /nfs/dbraw/zinc/35/59/65/567355965.db2.gz FCRLXGNXJQCALL-LBPRGKRZSA-N 0 1 382.693 3.046 20 0 GGADMN Cc1ccc(N2CCC[C@@H](NCc3ncc(Cl)cc3Br)C2)nn1 ZINC000527655872 567356187 /nfs/dbraw/zinc/35/61/87/567356187.db2.gz TWRCTERFJJCCBP-CYBMUJFWSA-N 0 1 396.720 3.355 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000527654790 567356350 /nfs/dbraw/zinc/35/63/50/567356350.db2.gz YNKCXYMAKHUFOZ-UHFFFAOYSA-N 0 1 390.119 3.298 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCCN(C)CC2)cc1Br ZINC000527654790 567356355 /nfs/dbraw/zinc/35/63/55/567356355.db2.gz YNKCXYMAKHUFOZ-UHFFFAOYSA-N 0 1 390.119 3.298 20 0 GGADMN Fc1cc(CCNCc2ncc(Br)cc2F)c2c(c1)COCO2 ZINC000527655118 567356620 /nfs/dbraw/zinc/35/66/20/567356620.db2.gz ZENITSQJWSLJAW-UHFFFAOYSA-N 0 1 385.208 3.321 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)n[nH]1 ZINC000568779796 567356635 /nfs/dbraw/zinc/35/66/35/567356635.db2.gz DXENKADWJSAZCH-YGRLFVJLSA-N 0 1 381.274 3.156 20 0 GGADMN O=S(=O)(NCC(F)(F)F)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000568795323 567357824 /nfs/dbraw/zinc/35/78/24/567357824.db2.gz KSZYCPJVPNRNAG-LLVKDONJSA-N 0 1 387.807 3.129 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456280842 567358596 /nfs/dbraw/zinc/35/85/96/567358596.db2.gz TUZVYRMDKVHEKT-CQSZACIVSA-N 0 1 381.249 3.223 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456280841 567358809 /nfs/dbraw/zinc/35/88/09/567358809.db2.gz TUZVYRMDKVHEKT-AWEZNQCLSA-N 0 1 381.249 3.223 20 0 GGADMN CCCc1nc(C)c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)s1 ZINC000568823061 567359045 /nfs/dbraw/zinc/35/90/45/567359045.db2.gz POWTYMDPQIYBRI-UHFFFAOYSA-N 0 1 379.507 3.114 20 0 GGADMN Clc1cnc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000527675879 567359578 /nfs/dbraw/zinc/35/95/78/567359578.db2.gz 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CS[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456361773 567365417 /nfs/dbraw/zinc/36/54/17/567365417.db2.gz CNWYLZQRWLLRFT-VXGBXAGGSA-N 0 1 386.359 3.279 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccsn1 ZINC000456365403 567365521 /nfs/dbraw/zinc/36/55/21/567365521.db2.gz HXWPVIYAEPWJJJ-LLVKDONJSA-N 0 1 395.326 3.298 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCN(CC)C[C@@H]2CC)cc1OC ZINC000456365552 567365579 /nfs/dbraw/zinc/36/55/79/567365579.db2.gz YZYXXUCFWXCQJG-AWEZNQCLSA-N 0 1 399.329 3.413 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)CCc1ccc(OC)c(Br)c1 ZINC000456350466 567365729 /nfs/dbraw/zinc/36/57/29/567365729.db2.gz LLQGFSDBQSIBMR-HNNXBMFYSA-N 0 1 383.330 3.333 20 0 GGADMN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2Cl)c1 ZINC000568925524 567366198 /nfs/dbraw/zinc/36/61/98/567366198.db2.gz FQDLVYOTACIAEJ-UHFFFAOYSA-N 0 1 382.869 3.208 20 0 GGADMN Fc1c(Br)ccc(CNCCn2cc(Br)cn2)c1F ZINC000527710198 567366981 /nfs/dbraw/zinc/36/69/81/567366981.db2.gz WJOILFHMTKHWLS-UHFFFAOYSA-N 0 1 395.045 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567382548 /nfs/dbraw/zinc/38/25/48/567382548.db2.gz RNNVSEYDODSQSG-SWLSCSKDSA-N 0 1 390.281 3.205 20 0 GGADMN O=C1CC[C@H]2CN(Cc3coc(-c4ccc(Br)cc4)n3)CC[C@H]2N1 ZINC000661600762 567382730 /nfs/dbraw/zinc/38/27/30/567382730.db2.gz ODMRNEPQFFDUGW-XJKSGUPXSA-N 0 1 390.281 3.205 20 0 GGADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1n[nH]c2ccccc21 ZINC000501348668 567383107 /nfs/dbraw/zinc/38/31/07/567383107.db2.gz FHOUNDZARSYMAL-CYBMUJFWSA-N 0 1 376.185 3.328 20 0 GGADMN O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1ncsc1C(F)(F)F ZINC000549274014 567384159 /nfs/dbraw/zinc/38/41/59/567384159.db2.gz JVYJCOLDPFUQMD-UHFFFAOYSA-N 0 1 375.282 3.478 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n[nH]1 ZINC000477270909 567384098 /nfs/dbraw/zinc/38/40/98/567384098.db2.gz WQTHUILABBWFCS-WDEREUQCSA-N 0 1 381.274 3.335 20 0 GGADMN CCOc1c(Br)cc(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)cc1OC ZINC000477268975 567384362 /nfs/dbraw/zinc/38/43/62/567384362.db2.gz MKYLXCGITRWMJR-VIFPVBQESA-N 0 1 397.273 3.028 20 0 GGADMN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CN(C)[C@H]1CCSC1 ZINC000501362944 567384340 /nfs/dbraw/zinc/38/43/40/567384340.db2.gz ZKXLPQGVRPWLGG-LRDDRELGSA-N 0 1 383.355 3.160 20 0 GGADMN O=C([O-])C[N@@H+](CCOc1ccccc1Br)CCc1ccccc1 ZINC000569192826 567384999 /nfs/dbraw/zinc/38/49/99/567384999.db2.gz IHSXWJDJDOYIBI-UHFFFAOYSA-N 0 1 378.266 3.457 20 0 GGADMN O=C(NCCCNCc1c(F)ccc(Br)c1F)c1cccc(O)c1 ZINC000501400030 567385216 /nfs/dbraw/zinc/38/52/16/567385216.db2.gz NKVCWINFQZZQMB-UHFFFAOYSA-N 0 1 399.235 3.343 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000640574923 567385469 /nfs/dbraw/zinc/38/54/69/567385469.db2.gz ALYIBSMDBOSZAM-CQSZACIVSA-N 0 1 383.279 3.305 20 0 GGADMN CC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)CC1 ZINC000527949299 567386299 /nfs/dbraw/zinc/38/62/99/567386299.db2.gz JZPLJYSYWYCHRS-AWEZNQCLSA-N 0 1 383.945 3.285 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC1=CCCOC1 ZINC000661657752 567386693 /nfs/dbraw/zinc/38/66/93/567386693.db2.gz VJFLTKMHMKGVNY-CQSZACIVSA-N 0 1 381.314 3.075 20 0 GGADMN C[C@@H](CCO)N(C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000593107439 567386821 /nfs/dbraw/zinc/38/68/21/567386821.db2.gz DBDCAIRRYKSSGR-NSHDSACASA-N 0 1 386.233 3.149 20 0 GGADMN CCc1nc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)sc1C(=O)OC ZINC000593105660 567387099 /nfs/dbraw/zinc/38/70/99/567387099.db2.gz TZNMNFALIZWSCA-RKDXNWHRSA-N 0 1 380.388 3.178 20 0 GGADMN CCc1nc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)sc1C(=O)OC ZINC000593105655 567387297 /nfs/dbraw/zinc/38/72/97/567387297.db2.gz TZNMNFALIZWSCA-DTWKUNHWSA-N 0 1 380.388 3.178 20 0 GGADMN COCCOCCc1ncc(C(=O)N(C)Cc2cccc(Cl)c2Cl)[nH]1 ZINC000549365593 567387969 /nfs/dbraw/zinc/38/79/69/567387969.db2.gz IUEJUBWZKOAMFN-UHFFFAOYSA-N 0 1 386.279 3.194 20 0 GGADMN CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000435773858 567387997 /nfs/dbraw/zinc/38/79/97/567387997.db2.gz XKSNWWDILSUBJA-OAHLLOKOSA-N 0 1 382.526 3.315 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Br)c2)n[nH]1 ZINC000477326763 567388047 /nfs/dbraw/zinc/38/80/47/567388047.db2.gz WKFLQIHDCAZSIV-GHMZBOCLSA-N 0 1 381.274 3.335 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCCc2occc21)c1cccc(Br)c1 ZINC000569214665 567388348 /nfs/dbraw/zinc/38/83/48/567388348.db2.gz XSLKMZZMZDNCGV-OAHLLOKOSA-N 0 1 384.295 3.483 20 0 GGADMN Cc1ccc(I)cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000477323127 567388657 /nfs/dbraw/zinc/38/86/57/567388657.db2.gz OZBBIJNQGCWKCD-JTQLQIEISA-N 0 1 398.248 3.332 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Br)c2)n[nH]1 ZINC000477326764 567388878 /nfs/dbraw/zinc/38/88/78/567388878.db2.gz WKFLQIHDCAZSIV-MNOVXSKESA-N 0 1 381.274 3.335 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000435770755 567389013 /nfs/dbraw/zinc/38/90/13/567389013.db2.gz HHROCJPJUZBFOH-AWEZNQCLSA-N 0 1 382.913 3.361 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H]1[C@H]1CCCO1 ZINC000569248031 567389569 /nfs/dbraw/zinc/38/95/69/567389569.db2.gz YQGYVDYWPCPCDL-DLBZAZTESA-N 0 1 381.314 3.051 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000456538936 567389757 /nfs/dbraw/zinc/38/97/57/567389757.db2.gz YBHUEGBWPGIBHK-AWEZNQCLSA-N 0 1 391.313 3.191 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)n[nH]1 ZINC000477342037 567389716 /nfs/dbraw/zinc/38/97/16/567389716.db2.gz UCBAKHQEPQYNRU-SSDOTTSWSA-N 0 1 380.221 3.241 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000456557147 567391030 /nfs/dbraw/zinc/39/10/30/567391030.db2.gz QLLNSJGAXOZTDI-CHWSQXEVSA-N 0 1 386.323 3.054 20 0 GGADMN CC[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000569249347 567391265 /nfs/dbraw/zinc/39/12/65/567391265.db2.gz GHXLRVVMCPSEDL-RISCZKNCSA-N 0 1 395.750 3.177 20 0 GGADMN C[C@@H](O)[C@H]1CCCN1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000661772251 567391688 /nfs/dbraw/zinc/39/16/88/567391688.db2.gz HSCTYSZHEOHSPM-NOZJJQNGSA-N 0 1 395.219 3.252 20 0 GGADMN C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)CCN1CC(C)(C)O ZINC000435863268 567392324 /nfs/dbraw/zinc/39/23/24/567392324.db2.gz VLQPGMVBLDNPIE-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN Cc1c([C@H](C)NC[C@H](CO)C2CC2)nnn1-c1cccc(Br)c1 ZINC000569278237 567392261 /nfs/dbraw/zinc/39/22/61/567392261.db2.gz XCHVPWWPLYSKKY-SMDDNHRTSA-N 0 1 379.302 3.007 20 0 GGADMN C[C@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CCN1CC(C)(C)O ZINC000435880430 567394402 /nfs/dbraw/zinc/39/44/02/567394402.db2.gz JAVGYMNATMWLMI-ZDUSSCGKSA-N 0 1 388.339 3.023 20 0 GGADMN O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000661803140 567394594 /nfs/dbraw/zinc/39/45/94/567394594.db2.gz MQYJBYKJXHHITF-OAHLLOKOSA-N 0 1 386.323 3.247 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000618534137 567396271 /nfs/dbraw/zinc/39/62/71/567396271.db2.gz OUWMTJPYKWFFBW-DEOSSOPVSA-N 0 1 385.316 3.472 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000501558216 567396762 /nfs/dbraw/zinc/39/67/62/567396762.db2.gz SRSAXQVYNKHKRK-BHDSKKPTSA-N 0 1 396.289 3.012 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000618533293 567397349 /nfs/dbraw/zinc/39/73/49/567397349.db2.gz HFDXVNYYLIHBJQ-JCQPUDPBSA-N 0 1 395.322 3.446 20 0 GGADMN O=C(NCCc1cc(Cl)ccc1Br)c1ccc2[nH]nnc2c1 ZINC000435963891 567397992 /nfs/dbraw/zinc/39/79/92/567397992.db2.gz JRJLRUZRDOQJJM-UHFFFAOYSA-N 0 1 379.645 3.346 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)[nH]1 ZINC000435964597 567398503 /nfs/dbraw/zinc/39/85/03/567398503.db2.gz HMEQBTJNCMGTIY-ZDUSSCGKSA-N 0 1 399.289 3.471 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)n1 ZINC000435964597 567398506 /nfs/dbraw/zinc/39/85/06/567398506.db2.gz HMEQBTJNCMGTIY-ZDUSSCGKSA-N 0 1 399.289 3.471 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Br)s1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000436008813 567400340 /nfs/dbraw/zinc/40/03/40/567400340.db2.gz VKRZFRVXWVPITI-VHSXEESVSA-N 0 1 396.310 3.287 20 0 GGADMN CC1(N2CCOCC2)CCN(c2noc3ccc(Br)cc32)CC1 ZINC000528191973 567400822 /nfs/dbraw/zinc/40/08/22/567400822.db2.gz YZRQCVCYRUVTDE-UHFFFAOYSA-N 0 1 380.286 3.281 20 0 GGADMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cc(Br)c(=O)[nH]c3C)c2C)o1 ZINC000501635244 567400955 /nfs/dbraw/zinc/40/09/55/567400955.db2.gz BVKKUFXUUAAVME-UHFFFAOYSA-N 0 1 391.225 3.132 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)CCOc2cccc(Br)c2)n[nH]1 ZINC000477541953 567401320 /nfs/dbraw/zinc/40/13/20/567401320.db2.gz NEVLGLYHZISZBO-LLVKDONJSA-N 0 1 381.274 3.337 20 0 GGADMN C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Br)cn1 ZINC000569408798 567402538 /nfs/dbraw/zinc/40/25/38/567402538.db2.gz VMMWRHNWXJOBDB-JQWIXIFHSA-N 0 1 387.224 3.213 20 0 GGADMN CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CCc1cccs1 ZINC000477571392 567402604 /nfs/dbraw/zinc/40/26/04/567402604.db2.gz RRZAFVKDUHXJHG-GOSISDBHSA-N 0 1 378.563 3.217 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)CCOc2ccc(Br)cc2F)n[nH]1 ZINC000477571475 567402793 /nfs/dbraw/zinc/40/27/93/567402793.db2.gz UHTCMJLCMUHQRT-SNVBAGLBSA-N 0 1 399.264 3.476 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CCOc2ccc(Br)cc2F)n[nH]1 ZINC000477571474 567402804 /nfs/dbraw/zinc/40/28/04/567402804.db2.gz UHTCMJLCMUHQRT-JTQLQIEISA-N 0 1 399.264 3.476 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1Cl)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000640992370 567404603 /nfs/dbraw/zinc/40/46/03/567404603.db2.gz VAHGRYHEOQHQBV-NSHDSACASA-N 0 1 383.279 3.491 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000593301076 567405071 /nfs/dbraw/zinc/40/50/71/567405071.db2.gz IXXWDTQQKTZKNV-UHFFFAOYSA-N 0 1 397.953 3.369 20 0 GGADMN CCN(Cc1cccc(Br)c1)C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000436085745 567405329 /nfs/dbraw/zinc/40/53/29/567405329.db2.gz GRTLQTXOCPLRQA-UHFFFAOYSA-N 0 1 388.269 3.235 20 0 GGADMN C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccc(Br)cc1 ZINC000549713506 567405717 /nfs/dbraw/zinc/40/57/17/567405717.db2.gz XFETUSBNZJBBJH-SNVBAGLBSA-N 0 1 380.242 3.047 20 0 GGADMN O=C1CCCN1C[C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000662049740 567405926 /nfs/dbraw/zinc/40/59/26/567405926.db2.gz DCCKGJHZSUWNCT-AWEZNQCLSA-N 0 1 388.309 3.442 20 0 GGADMN CN[C@@H](C)c1cn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nn1 ZINC000640997845 567406562 /nfs/dbraw/zinc/40/65/62/567406562.db2.gz FIWUHHCMNWRLTC-MEDUHNTESA-N 0 1 382.295 3.229 20 0 GGADMN OC[C@H](NC[C@@H](O)COCc1ccccc1F)c1cccc(Cl)c1Cl ZINC000662053804 567406472 /nfs/dbraw/zinc/40/64/72/567406472.db2.gz BGTVJPIJFYFMDO-DYVFJYSZSA-N 0 1 388.266 3.333 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)NCCN1CC=CCC1 ZINC000477656389 567407797 /nfs/dbraw/zinc/40/77/97/567407797.db2.gz AOGZETGCGNVOPG-QGZVFWFLSA-N 0 1 395.341 3.022 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3ncc(CSC)s3)C2)c1 ZINC000549764259 567408725 /nfs/dbraw/zinc/40/87/25/567408725.db2.gz ONKDBLDPCIELOE-ZDUSSCGKSA-N 0 1 379.551 3.392 20 0 GGADMN Clc1ccc(OCCNCc2c(Cl)cccc2N2CCOCC2)nc1 ZINC000549780246 567410797 /nfs/dbraw/zinc/41/07/97/567410797.db2.gz FIUATLBUFWWFLW-UHFFFAOYSA-N 0 1 382.291 3.394 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000501894963 567411748 /nfs/dbraw/zinc/41/17/48/567411748.db2.gz BFOASRVTSDANNL-DAYGRLMNSA-N 0 1 395.341 3.092 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNCc2cc(F)ccc2Br)c1 ZINC000549806112 567411878 /nfs/dbraw/zinc/41/18/78/567411878.db2.gz QFWIPDJASWDTNU-MRXNPFEDSA-N 0 1 396.256 3.320 20 0 GGADMN O=C1NC[C@H]2CN(Cc3ccc(-c4ccccc4Br)cc3)CCN12 ZINC000549802384 567411937 /nfs/dbraw/zinc/41/19/37/567411937.db2.gz XQIDDWKUHCXFNY-INIZCTEOSA-N 0 1 386.293 3.326 20 0 GGADMN Brc1ccn2cc(CNCCNc3ccc4ccccc4n3)nc2c1 ZINC000569534469 567412753 /nfs/dbraw/zinc/41/27/53/567412753.db2.gz YUPQCJVYKHNHHD-UHFFFAOYSA-N 0 1 396.292 3.269 20 0 GGADMN CNC(C)(C)c1cn(Cc2ccnc(-c3ccc(Br)cc3)n2)nn1 ZINC000641112552 567412908 /nfs/dbraw/zinc/41/29/08/567412908.db2.gz OLBBAAQPLGOZLV-UHFFFAOYSA-N 0 1 387.285 3.000 20 0 GGADMN Cc1cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1Br ZINC000501951191 567413115 /nfs/dbraw/zinc/41/31/15/567413115.db2.gz WZISBXGJOPXSIB-GFCCVEGCSA-N 0 1 379.220 3.258 20 0 GGADMN Cc1ncc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)[nH]1 ZINC000549824941 567413875 /nfs/dbraw/zinc/41/38/75/567413875.db2.gz BRBSMMJTOHNVIP-UHFFFAOYSA-N 0 1 388.269 3.020 20 0 GGADMN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000436191572 567414100 /nfs/dbraw/zinc/41/41/00/567414100.db2.gz ZBIWRFNJSAZURR-UHFFFAOYSA-N 0 1 375.837 3.425 20 0 GGADMN O=C(CN1CCN(CCc2cccs2)CC1)Nc1ccc(Cl)c(F)c1 ZINC000528358692 567415018 /nfs/dbraw/zinc/41/50/18/567415018.db2.gz NVASRFUYMWKLGD-UHFFFAOYSA-N 0 1 381.904 3.339 20 0 GGADMN N[C@H](c1cn(Cc2cccc3c(Br)cccc23)nn1)[C@@H]1CCCO1 ZINC000641129370 567415858 /nfs/dbraw/zinc/41/58/58/567415858.db2.gz LXSZMYSQUQBIOG-ZWKOTPCHSA-N 0 1 387.281 3.421 20 0 GGADMN C[C@H](c1cc(Cl)ccc1Cl)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000641132294 567415908 /nfs/dbraw/zinc/41/59/08/567415908.db2.gz IANSXJPUXYTIFN-LLVKDONJSA-N 0 1 383.279 3.491 20 0 GGADMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000528368303 567416843 /nfs/dbraw/zinc/41/68/43/567416843.db2.gz WOXFQFITDFHEPU-LNHVQRHZSA-N 0 1 375.270 3.143 20 0 GGADMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000528368303 567416851 /nfs/dbraw/zinc/41/68/51/567416851.db2.gz WOXFQFITDFHEPU-LNHVQRHZSA-N 0 1 375.270 3.143 20 0 GGADMN CC1(C)CN(C(=O)[C@H]2CCCc3n[nH]nc32)c2cc(Br)ccc21 ZINC000618856623 567417843 /nfs/dbraw/zinc/41/78/43/567417843.db2.gz AAHXRHQRJLPOGH-NSHDSACASA-N 0 1 375.270 3.312 20 0 GGADMN C[C@@H](NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)c1ccc(Br)cc1 ZINC000662225524 567417959 /nfs/dbraw/zinc/41/79/59/567417959.db2.gz ANOBYUVKMZLSOQ-GFCCVEGCSA-N 0 1 385.302 3.059 20 0 GGADMN C[C@@H](NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1ccc(Br)cc1 ZINC000662225524 567417962 /nfs/dbraw/zinc/41/79/62/567417962.db2.gz ANOBYUVKMZLSOQ-GFCCVEGCSA-N 0 1 385.302 3.059 20 0 GGADMN C[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1(C(=O)[O-])CCCC1 ZINC000569622096 567418512 /nfs/dbraw/zinc/41/85/12/567418512.db2.gz GYOAYITYTVSVOW-UHFFFAOYSA-N 0 1 380.293 3.096 20 0 GGADMN CCSc1ccc(Cn2cc([C@H](N)[C@@H]3CCCO3)nn2)c(Br)c1 ZINC000641186788 567418846 /nfs/dbraw/zinc/41/88/46/567418846.db2.gz KQKASANPRLMQHD-HOTGVXAUSA-N 0 1 397.342 3.380 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000618874528 567419385 /nfs/dbraw/zinc/41/93/85/567419385.db2.gz JFQGJGBMNIWKGA-CHWSQXEVSA-N 0 1 386.279 3.304 20 0 GGADMN C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Br)cn1 ZINC000569640490 567420206 /nfs/dbraw/zinc/42/02/06/567420206.db2.gz VHVOYEYLIKCLNX-ZIAGYGMSSA-N 0 1 391.313 3.315 20 0 GGADMN C[C@@H]1CSC[C@H]1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000502180875 567422454 /nfs/dbraw/zinc/42/24/54/567422454.db2.gz XJZFOGFHRCQXIU-KCPJHIHWSA-N 0 1 375.460 3.359 20 0 GGADMN COc1cccc([C@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)OC)c1 ZINC000528446031 567423333 /nfs/dbraw/zinc/42/33/33/567423333.db2.gz CVRBNDLVNWRQCY-AWEZNQCLSA-N 0 1 391.823 3.293 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000456885900 567424025 /nfs/dbraw/zinc/42/40/25/567424025.db2.gz SSQUOAXHROBGGW-UHFFFAOYSA-N 0 1 396.373 3.212 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000456908939 567425370 /nfs/dbraw/zinc/42/53/70/567425370.db2.gz XSBAOWQWWLSOBP-OAHLLOKOSA-N 0 1 383.989 3.353 20 0 GGADMN C[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)N1CCN(C)CC1 ZINC000569712647 567425366 /nfs/dbraw/zinc/42/53/66/567425366.db2.gz BVHSEQFUGINMCR-CQSZACIVSA-N 0 1 377.941 3.434 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000456897070 567425529 /nfs/dbraw/zinc/42/55/29/567425529.db2.gz JUZVVNVMEOQQHK-UHFFFAOYSA-N 0 1 383.989 3.106 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)c2cnc(-c3ccsc3)s2)CC1 ZINC000456905639 567425550 /nfs/dbraw/zinc/42/55/50/567425550.db2.gz UQNRDBFLTBMISE-UHFFFAOYSA-N 0 1 378.567 3.018 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000550060585 567426081 /nfs/dbraw/zinc/42/60/81/567426081.db2.gz NIWFXONTJXADLG-GFCCVEGCSA-N 0 1 375.416 3.090 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000436485291 567428004 /nfs/dbraw/zinc/42/80/04/567428004.db2.gz ORKNFAQCWGSQEU-HNNXBMFYSA-N 0 1 379.302 3.271 20 0 GGADMN CC1CCN([C@H](CNS(=O)(=O)N2CCCC[C@H]2C)c2cccs2)CC1 ZINC000502318146 567428033 /nfs/dbraw/zinc/42/80/33/567428033.db2.gz MMUDPCHODZLSQC-IAGOWNOFSA-N 0 1 385.599 3.230 20 0 GGADMN O=C(NCCc1ccc(F)c(Br)c1)c1cn[nH]c1-c1ccccn1 ZINC000569746271 567428420 /nfs/dbraw/zinc/42/84/20/567428420.db2.gz FVFVXELVIBHIHV-UHFFFAOYSA-N 0 1 389.228 3.346 20 0 GGADMN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC000569744743 567428459 /nfs/dbraw/zinc/42/84/59/567428459.db2.gz PATAAICUMCLHNJ-CYBMUJFWSA-N 0 1 398.253 3.470 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000477971167 567428909 /nfs/dbraw/zinc/42/89/09/567428909.db2.gz CFZKKODOSILVJR-INIZCTEOSA-N 0 1 398.345 3.490 20 0 GGADMN C[C@@H]1N(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CCOC1(C)C ZINC000477992702 567431287 /nfs/dbraw/zinc/43/12/87/567431287.db2.gz NAXVHYLQGHWGQE-NSHDSACASA-N 0 1 378.270 3.479 20 0 GGADMN C[NH+](C)CCOc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436529963 567431656 /nfs/dbraw/zinc/43/16/56/567431656.db2.gz BAZLUMLYAHIRPD-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN CCNC(=O)[C@@H](NCc1ccc(I)cc1Cl)C(C)C ZINC000550192390 567432029 /nfs/dbraw/zinc/43/20/29/567432029.db2.gz ALZCLJYXCOPSAS-ZDUSSCGKSA-N 0 1 394.684 3.195 20 0 GGADMN CN1CC[C@H](NCc2coc(S(C)(=O)=O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528511953 567431941 /nfs/dbraw/zinc/43/19/41/567431941.db2.gz ZSAOAQDXYFTXKB-RDJZCZTQSA-N 0 1 386.876 3.011 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436537078 567432786 /nfs/dbraw/zinc/43/27/86/567432786.db2.gz FMVNJKKCPATHCG-UHFFFAOYSA-N 0 1 395.272 3.498 20 0 GGADMN COCCn1nnc2c1CCN(CC/C=C\c1ccc(Br)cc1)C2 ZINC000550190384 567433011 /nfs/dbraw/zinc/43/30/11/567433011.db2.gz JMLAKRBCTJDPBX-RQOWECAXSA-N 0 1 391.313 3.149 20 0 GGADMN CC(C)(OCC(=O)NCc1nc2cccc(Br)c2[nH]1)C(F)(F)F ZINC000457024259 567433190 /nfs/dbraw/zinc/43/31/90/567433190.db2.gz DPEPANJYQVJISL-UHFFFAOYSA-N 0 1 394.191 3.299 20 0 GGADMN C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@@H+]1C ZINC000502455133 567435393 /nfs/dbraw/zinc/43/53/93/567435393.db2.gz BUUMYTJRAKMHMP-WCBMZHEXSA-N 0 1 399.713 3.003 20 0 GGADMN C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[N@H+]1C ZINC000502455133 567435394 /nfs/dbraw/zinc/43/53/94/567435394.db2.gz BUUMYTJRAKMHMP-WCBMZHEXSA-N 0 1 399.713 3.003 20 0 GGADMN COC(=O)COc1ccc(NC(=O)c2ccc(Br)cc2O)c(C)c1 ZINC000436563988 567435523 /nfs/dbraw/zinc/43/55/23/567435523.db2.gz NQFLIGBBIUGHSY-UHFFFAOYSA-N 0 1 394.221 3.267 20 0 GGADMN COCc1nc(C)c(C(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000457060142 567435643 /nfs/dbraw/zinc/43/56/43/567435643.db2.gz OGDNNRGZLCEYFY-UHFFFAOYSA-N 0 1 395.282 3.167 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457059336 567435865 /nfs/dbraw/zinc/43/58/65/567435865.db2.gz NXZQICZDABZGDG-MRVPVSSYSA-N 0 1 376.258 3.085 20 0 GGADMN C[C@@](O)(CNCc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000569860557 567437572 /nfs/dbraw/zinc/43/75/72/567437572.db2.gz DNLJTSDJYFMSDG-GOSISDBHSA-N 0 1 393.329 3.451 20 0 GGADMN CN(C(=O)CSCc1cccnc1)C1CCN(CCC(F)(F)F)CC1 ZINC000457086178 567437918 /nfs/dbraw/zinc/43/79/18/567437918.db2.gz OFPFCEMTCIFNTB-UHFFFAOYSA-N 0 1 375.460 3.190 20 0 GGADMN Cc1cc(C(=O)NCc2nc3cccc(Br)c3[nH]2)nn1C(C)C ZINC000457072314 567438253 /nfs/dbraw/zinc/43/82/53/567438253.db2.gz XIMHPXGEHWPIAI-UHFFFAOYSA-N 0 1 376.258 3.341 20 0 GGADMN CN(C(=O)CSC[C@@H]1CCCCO1)C1CCN(CCC(F)(F)F)CC1 ZINC000457086088 567438341 /nfs/dbraw/zinc/43/83/41/567438341.db2.gz NPSWQINCZPNUNA-HNNXBMFYSA-N 0 1 382.492 3.164 20 0 GGADMN CN(C(=O)c1ccncc1Br)C1CCN(CCC(F)(F)F)CC1 ZINC000457092259 567439063 /nfs/dbraw/zinc/43/90/63/567439063.db2.gz WVKHHFXOWQRMFZ-UHFFFAOYSA-N 0 1 394.235 3.333 20 0 GGADMN COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(Br)cc1O ZINC000436607739 567438878 /nfs/dbraw/zinc/43/88/78/567438878.db2.gz TYHJNAXTUNRKJC-UHFFFAOYSA-N 0 1 379.210 3.374 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)c2cncc(I)c2)c1 ZINC000436643092 567439983 /nfs/dbraw/zinc/43/99/83/567439983.db2.gz DAQCZZGGCCGUKW-UHFFFAOYSA-N 0 1 396.184 3.237 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])c1ccco1 ZINC000436633865 567440279 /nfs/dbraw/zinc/44/02/79/567440279.db2.gz IXHBSJACBLLKDS-GFCCVEGCSA-N 0 1 387.661 3.434 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(Br)cnc2N(C)C)c1 ZINC000436651363 567440496 /nfs/dbraw/zinc/44/04/96/567440496.db2.gz FFWXGOMHZHWYOB-UHFFFAOYSA-N 0 1 392.253 3.461 20 0 GGADMN Cc1nccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)c1Cl ZINC000478186622 567440707 /nfs/dbraw/zinc/44/07/07/567440707.db2.gz YPKTZUNVEOSSGM-UHFFFAOYSA-N 0 1 379.913 3.252 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000457112166 567441173 /nfs/dbraw/zinc/44/11/73/567441173.db2.gz GPNJJNIMNYMSBX-VIFPVBQESA-N 0 1 379.258 3.137 20 0 GGADMN NC(=O)[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(Br)cc1 ZINC000502540813 567441381 /nfs/dbraw/zinc/44/13/81/567441381.db2.gz IXUIMCDUFQOXJB-UPJWGTAASA-N 0 1 377.229 3.116 20 0 GGADMN CCc1sc(C(=O)Nc2c(C(C)C)n[nH]c2C(N)=O)cc1Br ZINC000457110507 567441467 /nfs/dbraw/zinc/44/14/67/567441467.db2.gz FYKUPIMAOFBQFC-UHFFFAOYSA-N 0 1 385.287 3.271 20 0 GGADMN CC(C)(C)N(CC(=O)NC1CCOCC1)Cc1ccc(Br)cc1 ZINC000528595365 567441577 /nfs/dbraw/zinc/44/15/77/567441577.db2.gz VVNHOFDAMJOTLU-UHFFFAOYSA-N 0 1 383.330 3.345 20 0 GGADMN CS(=O)(=O)C1(CNC(=O)c2cc(Cl)c3ccccc3c2O)CCCC1 ZINC000436674064 567441882 /nfs/dbraw/zinc/44/18/82/567441882.db2.gz GRWNRAUTKCGXIG-UHFFFAOYSA-N 0 1 381.881 3.286 20 0 GGADMN Cc1nccc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1Cl ZINC000478225233 567442023 /nfs/dbraw/zinc/44/20/23/567442023.db2.gz FZSQMGWJDWIEOT-UHFFFAOYSA-N 0 1 379.913 3.252 20 0 GGADMN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccsc2)cc1O ZINC000436683954 567442079 /nfs/dbraw/zinc/44/20/79/567442079.db2.gz XBMKZSXVDSDNQD-UHFFFAOYSA-N 0 1 380.491 3.317 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCC(CCC(N)=O)CC2)ccc1Br ZINC000502548429 567442232 /nfs/dbraw/zinc/44/22/32/567442232.db2.gz LHEZKOPHFHKZHB-ZDUSSCGKSA-N 0 1 396.329 3.062 20 0 GGADMN CCc1nc(CNC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)n[nH]1 ZINC000569904937 567442354 /nfs/dbraw/zinc/44/23/54/567442354.db2.gz IWNDCTZQPBZYNN-MRXNPFEDSA-N 0 1 392.301 3.470 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H](CCCO)C1 ZINC000457145118 567443558 /nfs/dbraw/zinc/44/35/58/567443558.db2.gz KHGKRHXNSNIHQC-LBPRGKRZSA-N 0 1 378.270 3.074 20 0 GGADMN CN(Cc1ccccc1)C1CN(C(=O)c2cc(Br)ccc2O)C1 ZINC000436716973 567445984 /nfs/dbraw/zinc/44/59/84/567445984.db2.gz UVNSBBIXFLKDEJ-UHFFFAOYSA-N 0 1 375.266 3.111 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000436723644 567446137 /nfs/dbraw/zinc/44/61/37/567446137.db2.gz ONLJGOGEZMVPOD-UHFFFAOYSA-N 0 1 382.869 3.375 20 0 GGADMN CCN1CC[NH+](CCCNC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000502699419 567446566 /nfs/dbraw/zinc/44/65/66/567446566.db2.gz YFGKIPGUDWXQRN-HNNXBMFYSA-N 0 1 386.367 3.316 20 0 GGADMN Cc1nccc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1Cl ZINC000478299518 567446959 /nfs/dbraw/zinc/44/69/59/567446959.db2.gz PVJPJNUTYOQGAP-UHFFFAOYSA-N 0 1 383.876 3.130 20 0 GGADMN CC(C)[C@@]1(CO)CCCN(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000550433647 567446825 /nfs/dbraw/zinc/44/68/25/567446825.db2.gz OEEZRRPGOIRHDW-SFHVURJKSA-N 0 1 384.314 3.451 20 0 GGADMN Cc1nc(-c2cccs2)sc1C(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000457177630 567446967 /nfs/dbraw/zinc/44/69/67/567446967.db2.gz USQVCKCFNAHOIP-UHFFFAOYSA-N 0 1 375.479 3.378 20 0 GGADMN CC(C)[C@@]1(CO)CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000550433957 567447120 /nfs/dbraw/zinc/44/71/20/567447120.db2.gz ZJTOLYPUDIXIKC-IBGZPJMESA-N 0 1 397.357 3.138 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[N@H+]1C ZINC000436738377 567447091 /nfs/dbraw/zinc/44/70/91/567447091.db2.gz NREMGYBKGDLHPM-ZDUSSCGKSA-N 0 1 375.694 3.220 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])Cc1ccccc1 ZINC000436728758 567447261 /nfs/dbraw/zinc/44/72/61/567447261.db2.gz CODWMYJQBZFXJK-HNNXBMFYSA-N 0 1 377.282 3.057 20 0 GGADMN O=C(NC[C@H]1COCCN1)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000528690300 567447612 /nfs/dbraw/zinc/44/76/12/567447612.db2.gz SPAONGQPKGHGMV-ZDUSSCGKSA-N 0 1 381.263 3.165 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000436730100 567447906 /nfs/dbraw/zinc/44/79/06/567447906.db2.gz JJFYNDHCOMISFE-OAHLLOKOSA-N 0 1 381.245 3.327 20 0 GGADMN Cc1csc(CNC[C@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000569961151 567447992 /nfs/dbraw/zinc/44/79/92/567447992.db2.gz YSDNJOLPASLFPX-NSHDSACASA-N 0 1 391.718 3.397 20 0 GGADMN CC(C)(CO)[C@H](NCc1nc(-c2cc(Br)cs2)no1)C1CC1 ZINC000550461294 567448012 /nfs/dbraw/zinc/44/80/12/567448012.db2.gz GZBOQKFDPFCMGQ-CYBMUJFWSA-N 0 1 386.315 3.447 20 0 GGADMN CS(=O)(=O)NCC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000569969122 567448116 /nfs/dbraw/zinc/44/81/16/567448116.db2.gz VAIYFMVZJFIWMQ-UHFFFAOYSA-N 0 1 382.913 3.361 20 0 GGADMN C[C@H]1COCCN1C1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000641654949 567448243 /nfs/dbraw/zinc/44/82/43/567448243.db2.gz USLWALHCMXBIQZ-NSHDSACASA-N 0 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O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436769828 567450952 /nfs/dbraw/zinc/45/09/52/567450952.db2.gz JNHALAMHQRLDHJ-LLVKDONJSA-N 0 1 378.778 3.109 20 0 GGADMN CN1C[C@H](NC(=O)c2ccc(Br)c(F)c2)[C@H](c2ccccc2)C1 ZINC000478366924 567450964 /nfs/dbraw/zinc/45/09/64/567450964.db2.gz DWUUBDUJCFCIOT-YOEHRIQHSA-N 0 1 377.257 3.416 20 0 GGADMN Cc1cccc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1Br ZINC000550526115 567451180 /nfs/dbraw/zinc/45/11/80/567451180.db2.gz YWQJYEPJAXXLQO-UHFFFAOYSA-N 0 1 395.341 3.332 20 0 GGADMN CCN(Cc1c(F)ccc(I)c1F)C[C@@H]1CCOC1 ZINC000619423958 567451323 /nfs/dbraw/zinc/45/13/23/567451323.db2.gz VDEAWIREEYVCAH-JTQLQIEISA-N 0 1 381.204 3.428 20 0 GGADMN O[C@@H](CNCc1cc(Br)sc1Br)C1CCOCC1 ZINC000641726693 567452377 /nfs/dbraw/zinc/45/23/77/567452377.db2.gz QLKDAJRRDPKFDK-JTQLQIEISA-N 0 1 399.148 3.150 20 0 GGADMN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc(O)c(Cl)c1 ZINC000436791314 567452467 /nfs/dbraw/zinc/45/24/67/567452467.db2.gz JQMZUQZQNPXROO-ZDUSSCGKSA-N 0 1 388.620 3.411 20 0 GGADMN O[C@H](CNCc1cc(Br)sc1Br)C1CCOCC1 ZINC000641726702 567452537 /nfs/dbraw/zinc/45/25/37/567452537.db2.gz QLKDAJRRDPKFDK-SNVBAGLBSA-N 0 1 399.148 3.150 20 0 GGADMN C[C@H]1CC(F)(F)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000528765328 567452969 /nfs/dbraw/zinc/45/29/69/567452969.db2.gz BGAXIQFPANBZPA-GWCFXTLKSA-N 0 1 382.220 3.448 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)C[C@H](C)S1(=O)=O ZINC000436799140 567453191 /nfs/dbraw/zinc/45/31/91/567453191.db2.gz XCYYRQKETOURQK-RYUDHWBXSA-N 0 1 381.881 3.237 20 0 GGADMN CC(C)[C@@H](C(=O)Nc1ccc(F)c(F)c1O)S(=O)(=O)C1CCCCC1 ZINC000457293126 567453765 /nfs/dbraw/zinc/45/37/65/567453765.db2.gz MNSFAFJXTZIVMM-INIZCTEOSA-N 0 1 375.437 3.381 20 0 GGADMN OC[C@@H](NCc1cc(Br)sc1Br)C1CCOCC1 ZINC000641747238 567453806 /nfs/dbraw/zinc/45/38/06/567453806.db2.gz HWWVIUMHZIPLIT-SNVBAGLBSA-N 0 1 399.148 3.150 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1O ZINC000436812581 567453928 /nfs/dbraw/zinc/45/39/28/567453928.db2.gz 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567456327 /nfs/dbraw/zinc/45/63/27/567456327.db2.gz KVRBMINSDDHGCZ-UHFFFAOYSA-N 0 1 377.282 3.189 20 0 GGADMN O=C(NCCc1ccc(F)c(Br)c1)N1CCN(C2CCC2)CC1 ZINC000502838350 567456398 /nfs/dbraw/zinc/45/63/98/567456398.db2.gz CDMAINKALFTAEU-UHFFFAOYSA-N 0 1 384.293 3.010 20 0 GGADMN C[NH+](C)CCc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436840201 567456570 /nfs/dbraw/zinc/45/65/70/567456570.db2.gz OKQOHLYMBDSGQA-UHFFFAOYSA-N 0 1 377.282 3.189 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc2cncn2c1 ZINC000550690518 567456954 /nfs/dbraw/zinc/45/69/54/567456954.db2.gz LKSGPBIDIYKDEH-OAHLLOKOSA-N 0 1 385.265 3.106 20 0 GGADMN C[C@](N)(C(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)c1ccc(Br)cc1 ZINC000662699352 567457442 /nfs/dbraw/zinc/45/74/42/567457442.db2.gz PMEWCRJFXRPRRS-UCLAIMLFSA-N 0 1 395.341 3.431 20 0 GGADMN CNC(=O)[C@H]1CCC[C@H]1NCc1coc(-c2ccc(Br)cc2)n1 ZINC000502855182 567458001 /nfs/dbraw/zinc/45/80/01/567458001.db2.gz KCOYTFUVFFWOHX-LSDHHAIUSA-N 0 1 378.270 3.108 20 0 GGADMN CN1C[C@H](NC(=O)c2cc(F)ccc2Br)[C@H](c2ccccc2)C1 ZINC000478457253 567458645 /nfs/dbraw/zinc/45/86/45/567458645.db2.gz KCUIJTPIOMCLGT-RDJZCZTQSA-N 0 1 377.257 3.416 20 0 GGADMN C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000436857868 567459155 /nfs/dbraw/zinc/45/91/55/567459155.db2.gz LRPCEYAIYATBOV-HOTGVXAUSA-N 0 1 393.256 3.469 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000436857867 567459239 /nfs/dbraw/zinc/45/92/39/567459239.db2.gz LRPCEYAIYATBOV-CVEARBPZSA-N 0 1 393.256 3.469 20 0 GGADMN COc1ccc(Br)cc1CN(C)C[C@H](O)COc1ccc(F)cc1 ZINC000641937849 567460178 /nfs/dbraw/zinc/46/01/78/567460178.db2.gz VTYKURAKSHZQQO-INIZCTEOSA-N 0 1 398.272 3.469 20 0 GGADMN CS(=O)(=O)CCCC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457347223 567460258 /nfs/dbraw/zinc/46/02/58/567460258.db2.gz AQNVQEQDHKSVCD-HNNXBMFYSA-N 0 1 383.901 3.095 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(Cl)c(F)cc3Cl)CC2)c1 ZINC000550735453 567460270 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O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1cccc2c[nH]nc21 ZINC000641989231 567463721 /nfs/dbraw/zinc/46/37/21/567463721.db2.gz UJKZLXRNRPEAJG-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN Cc1cc(Br)c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)s1 ZINC000457419396 567464489 /nfs/dbraw/zinc/46/44/89/567464489.db2.gz RXFHUWGMFUBLLS-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=S(=O)(N[C@@H](CCCO)c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000550824625 567464672 /nfs/dbraw/zinc/46/46/72/567464672.db2.gz MIYILRBHKVIQMQ-AWEZNQCLSA-N 0 1 375.824 3.410 20 0 GGADMN Oc1cc(Br)ccc1-c1nc(-c2cccnc2-n2cccn2)no1 ZINC000436908122 567464837 /nfs/dbraw/zinc/46/48/37/567464837.db2.gz HMHDGFPWVCEBHG-UHFFFAOYSA-N 0 1 384.193 3.452 20 0 GGADMN C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000436892234 567465310 /nfs/dbraw/zinc/46/53/10/567465310.db2.gz JEEFDXAIAYQZHX-JTQLQIEISA-N 0 1 379.243 3.360 20 0 GGADMN O=S(=O)(N[C@H](CCCO)c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000550824626 567465387 /nfs/dbraw/zinc/46/53/87/567465387.db2.gz MIYILRBHKVIQMQ-CQSZACIVSA-N 0 1 375.824 3.410 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Br)cc1 ZINC000457445144 567466007 /nfs/dbraw/zinc/46/60/07/567466007.db2.gz CWAMOFPCJHKQAZ-JTQLQIEISA-N 0 1 380.290 3.425 20 0 GGADMN O=C(CNCc1cc(Br)c2c(c1)OCCO2)Nc1cccc(F)c1 ZINC000550852508 567466011 /nfs/dbraw/zinc/46/60/11/567466011.db2.gz KFVPUXXRARBOIF-UHFFFAOYSA-N 0 1 395.228 3.088 20 0 GGADMN COC(=O)c1cc(CN(C)CCOc2ccc(Br)cc2)cn1C ZINC000570201103 567466201 /nfs/dbraw/zinc/46/62/01/567466201.db2.gz JNMSFYYQOLFUOS-UHFFFAOYSA-N 0 1 381.270 3.085 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cccc(C)c2C(=O)OC)c1 ZINC000570211062 567466366 /nfs/dbraw/zinc/46/63/66/567466366.db2.gz UMGTYRWUGHGVHD-UHFFFAOYSA-N 0 1 383.853 3.382 20 0 GGADMN CC(C)Oc1ccc(NC(=O)c2ccc(Br)cc2O)cc1C(N)=O ZINC000436929205 567466767 /nfs/dbraw/zinc/46/67/67/567466767.db2.gz DOQXOAXBUFBIPI-UHFFFAOYSA-N 0 1 393.237 3.293 20 0 GGADMN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(O)c(Cl)c1 ZINC000436915575 567466969 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C[C@@H](c1ccc(Br)cc1)N1CCN(CCc2cnn(C)c2)CC1 ZINC000503085713 567468390 /nfs/dbraw/zinc/46/83/90/567468390.db2.gz HJZQVWJKVYSMCD-HNNXBMFYSA-N 0 1 377.330 3.104 20 0 GGADMN CN(CCn1cc(Br)cn1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436937860 567468533 /nfs/dbraw/zinc/46/85/33/567468533.db2.gz JUANMKYYBWJJTM-UHFFFAOYSA-N 0 1 393.068 3.430 20 0 GGADMN COc1cccc(O[C@H](C)CNC(=O)c2cccc(Br)c2O)c1 ZINC000570238602 567468951 /nfs/dbraw/zinc/46/89/51/567468951.db2.gz MMAQANLYANEZSY-LLVKDONJSA-N 0 1 380.238 3.361 20 0 GGADMN O=C(COc1c(Cl)cccc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000642119760 567469089 /nfs/dbraw/zinc/46/90/89/567469089.db2.gz CWXUNTXTFMIZEW-CQSZACIVSA-N 0 1 387.307 3.086 20 0 GGADMN C[C@H](CN(C)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)c1nn[nH]n1 ZINC000478593414 567469598 /nfs/dbraw/zinc/46/95/98/567469598.db2.gz LSIORYCSXWCBRD-SNVBAGLBSA-N 0 1 384.267 3.122 20 0 GGADMN Cc1n[nH]c([C@H]2CCN(Cc3cc(Br)ccc3OC(F)F)C2)n1 ZINC000570260267 567469850 /nfs/dbraw/zinc/46/98/50/567469850.db2.gz 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Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(F)cc3O)nc12 ZINC000436981680 567472578 /nfs/dbraw/zinc/47/25/78/567472578.db2.gz RQHWLZNZLPRMJF-UHFFFAOYSA-N 0 1 392.228 3.222 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3sc(C)cc3Br)CC2)c1 ZINC000457543845 567472698 /nfs/dbraw/zinc/47/26/98/567472698.db2.gz VBCQBCMNKYWSAZ-UHFFFAOYSA-N 0 1 396.310 3.185 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1ccccc1 ZINC000570286355 567473364 /nfs/dbraw/zinc/47/33/64/567473364.db2.gz JAITVEPSDBYWFH-KRWDZBQOSA-N 0 1 376.250 3.339 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC000436999504 567473981 /nfs/dbraw/zinc/47/39/81/567473981.db2.gz FVDVILDULYNUJZ-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)s1 ZINC000457562578 567474875 /nfs/dbraw/zinc/47/48/75/567474875.db2.gz CHTVUJCGQJTBEF-LLVKDONJSA-N 0 1 387.343 3.144 20 0 GGADMN CC(=O)NCCN(CCc1cccnc1)Cc1ccc(Br)s1 ZINC000503238261 567475038 /nfs/dbraw/zinc/47/50/38/567475038.db2.gz BCJVGHSKFKVTQH-UHFFFAOYSA-N 0 1 382.327 3.086 20 0 GGADMN Cc1cc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn2cc[nH+]c12 ZINC000551051031 567475127 /nfs/dbraw/zinc/47/51/27/567475127.db2.gz PMSKEZVJYILBCY-UHFFFAOYSA-N 0 1 379.203 3.232 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c1 ZINC000478690218 567476043 /nfs/dbraw/zinc/47/60/43/567476043.db2.gz HLIIKTSJATYHED-UHFFFAOYSA-N 0 1 382.869 3.335 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000642364536 567476288 /nfs/dbraw/zinc/47/62/88/567476288.db2.gz MUYGFEAFHZQNAJ-LBPRGKRZSA-N 0 1 383.901 3.143 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000642332714 567476376 /nfs/dbraw/zinc/47/63/76/567476376.db2.gz LXEGFSDUSIYFPE-UHFFFAOYSA-N 0 1 382.860 3.046 20 0 GGADMN O=S(=O)(Nc1cccc2c1CCO2)c1cc(Br)cc2c1OCC2 ZINC000478698004 567476851 /nfs/dbraw/zinc/47/68/51/567476851.db2.gz POJFOLJCIZIVIS-UHFFFAOYSA-N 0 1 396.262 3.120 20 0 GGADMN O[C@H](CN[C@H](c1ccc(Br)o1)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000551087602 567476947 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COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2C)c1OC ZINC000551106687 567478257 /nfs/dbraw/zinc/47/82/57/567478257.db2.gz DQGRKELXOADFNJ-UHFFFAOYSA-N 0 1 387.816 3.384 20 0 GGADMN Fc1cc(Br)cc(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)c1 ZINC000663158176 567478294 /nfs/dbraw/zinc/47/82/94/567478294.db2.gz HWJLXVRPTNRERC-NSHDSACASA-N 0 1 378.205 3.148 20 0 GGADMN CO[C@H](c1noc([C@H]2CCCc3nn[nH]c32)n1)c1ccc(Br)cc1 ZINC000663160115 567478315 /nfs/dbraw/zinc/47/83/15/567478315.db2.gz YBHLTSVGQCFQOY-FZMZJTMJSA-N 0 1 390.241 3.154 20 0 GGADMN CO[C@@H](c1noc([C@H]2CCCc3nn[nH]c32)n1)c1ccc(Br)cc1 ZINC000663160117 567478327 /nfs/dbraw/zinc/47/83/27/567478327.db2.gz YBHLTSVGQCFQOY-SMDDNHRTSA-N 0 1 390.241 3.154 20 0 GGADMN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H](O)CCC(C)C ZINC000503265788 567478774 /nfs/dbraw/zinc/47/87/74/567478774.db2.gz SFHQRTSHSTYSQH-CQSZACIVSA-N 0 1 391.375 3.246 20 0 GGADMN Brc1cccc2[nH]cc(Cc3noc([C@H]4CCc5n[nH]nc5C4)n3)c21 ZINC000663159361 567478872 /nfs/dbraw/zinc/47/88/72/567478872.db2.gz UXCGUPWJJDICKZ-VIFPVBQESA-N 0 1 399.252 3.295 20 0 GGADMN Brc1cccc2[nH]cc(Cc3noc([C@H]4CCc5[nH]nnc5C4)n3)c21 ZINC000663159361 567478875 /nfs/dbraw/zinc/47/88/75/567478875.db2.gz UXCGUPWJJDICKZ-VIFPVBQESA-N 0 1 399.252 3.295 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CCC(F)(F)CC2)c1F ZINC000594466913 567479012 /nfs/dbraw/zinc/47/90/12/567479012.db2.gz ORUAOCQKHJWATN-UHFFFAOYSA-N 0 1 385.791 3.122 20 0 GGADMN CO[C@@H](c1noc([C@H]2CCCc3nn[nH]c32)n1)c1ccccc1Br ZINC000663162095 567479276 /nfs/dbraw/zinc/47/92/76/567479276.db2.gz ZRRBLTHUELURMJ-IINYFYTJSA-N 0 1 390.241 3.154 20 0 GGADMN CCc1n[n-]c(=NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)s1 ZINC000642408264 567479311 /nfs/dbraw/zinc/47/93/11/567479311.db2.gz QLMVWEWLNUDNCY-AWEZNQCLSA-N 0 1 381.933 3.380 20 0 GGADMN CN(CCc1ccc(Br)cc1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000503297514 567480236 /nfs/dbraw/zinc/48/02/36/567480236.db2.gz PYFIMJXARJXZDE-UHFFFAOYSA-N 0 1 377.217 3.174 20 0 GGADMN CC1CCN(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000642515880 567480705 /nfs/dbraw/zinc/48/07/05/567480705.db2.gz VZVOEDZEMPOJCJ-UHFFFAOYSA-N 0 1 384.851 3.369 20 0 GGADMN C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000642523573 567480800 /nfs/dbraw/zinc/48/08/00/567480800.db2.gz TWJFBVXZAMNYQJ-NSHDSACASA-N 0 1 384.851 3.369 20 0 GGADMN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503366805 567482036 /nfs/dbraw/zinc/48/20/36/567482036.db2.gz KIOYZMLNXMELQE-ZDUSSCGKSA-N 0 1 396.329 3.251 20 0 GGADMN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503373616 567482092 /nfs/dbraw/zinc/48/20/92/567482092.db2.gz XNEZYHFOMNSKTG-KBXCAEBGSA-N 0 1 395.341 3.312 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)CCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000551154581 567482479 /nfs/dbraw/zinc/48/24/79/567482479.db2.gz KWKCFALRIRXVIF-JTQLQIEISA-N 0 1 394.198 3.079 20 0 GGADMN Brc1ccc2[nH]cc(CCN[C@H](c3nnc[nH]3)c3cccnc3)c2c1 ZINC000551166418 567482562 /nfs/dbraw/zinc/48/25/62/567482562.db2.gz ZCQIXJNYVRGOKA-KRWDZBQOSA-N 0 1 397.280 3.365 20 0 GGADMN C[C@@H](NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(I)cc1 ZINC000594511752 567483155 /nfs/dbraw/zinc/48/31/55/567483155.db2.gz OCNOQBPUVSCZSK-MFKMUULPSA-N 0 1 398.248 3.112 20 0 GGADMN Cc1nnc(SCC(=O)Nc2nc3c(cccc3Br)s2)[nH]1 ZINC000570420487 567483255 /nfs/dbraw/zinc/48/32/55/567483255.db2.gz GHRVHMLVBCOGRG-UHFFFAOYSA-N 0 1 384.284 3.216 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2nc3c(cccc3Br)s2)n1 ZINC000570420487 567483262 /nfs/dbraw/zinc/48/32/62/567483262.db2.gz GHRVHMLVBCOGRG-UHFFFAOYSA-N 0 1 384.284 3.216 20 0 GGADMN C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cncc(Br)c1 ZINC000570411785 567483366 /nfs/dbraw/zinc/48/33/66/567483366.db2.gz QUGVWZAWQFALNW-UONOGXRCSA-N 0 1 391.313 3.315 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](C)C(=O)OC(C)(C)C ZINC000594515858 567483611 /nfs/dbraw/zinc/48/36/11/567483611.db2.gz TYOQDOYJPPEWTC-GFCCVEGCSA-N 0 1 375.918 3.201 20 0 GGADMN CC(C)(CN[C@H](C(N)=O)c1cccc(Br)c1)Oc1ccccc1 ZINC000478830732 567485655 /nfs/dbraw/zinc/48/56/55/567485655.db2.gz LNZLCOHTLOZMPF-INIZCTEOSA-N 0 1 377.282 3.423 20 0 GGADMN C[C@H](NCc1cccc(I)c1)C(=O)NCc1ccccc1 ZINC000551184746 567485892 /nfs/dbraw/zinc/48/58/92/567485892.db2.gz GWCWVGBXTWDYOS-ZDUSSCGKSA-N 0 1 394.256 3.086 20 0 GGADMN Cc1c(Br)cc(CN[C@@H](C)CS(C)(=O)=O)cc1Br ZINC000570913530 567522158 /nfs/dbraw/zinc/52/21/58/567522158.db2.gz CPLSVACKRFSDLW-QMMMGPOBSA-N 0 1 399.148 3.043 20 0 GGADMN CCCN1CC[C@H](NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000619898795 567486844 /nfs/dbraw/zinc/48/68/44/567486844.db2.gz IRVILACJFJPLPG-BBRMVZONSA-N 0 1 381.314 3.259 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCc2c(Br)cccc2C1 ZINC000503462590 567486868 /nfs/dbraw/zinc/48/68/68/567486868.db2.gz OQDBGUXDEFADJF-UHFFFAOYSA-N 0 1 375.201 3.058 20 0 GGADMN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cncc(Br)c1 ZINC000570463972 567487968 /nfs/dbraw/zinc/48/79/68/567487968.db2.gz IUBLSZWTUDBJAR-RISCZKNCSA-N 0 1 378.245 3.439 20 0 GGADMN COc1ccc(-c2nc(C)c(C(=O)Nc3nc(SC)n[nH]3)s2)c(F)c1 ZINC000503485329 567488984 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1 398.244 3.001 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NC[C@H](C)C(F)(F)F)c12 ZINC000570847338 567517487 /nfs/dbraw/zinc/51/74/87/567517487.db2.gz GPMWRXJQOMCEPG-ZETCQYMHSA-N 0 1 376.404 3.370 20 0 GGADMN Cc1noc(CN2CCCC[C@@H](NCc3ccc(Cl)cc3Cl)C2=O)n1 ZINC000643736837 567517857 /nfs/dbraw/zinc/51/78/57/567517857.db2.gz OXRMIYRYQVMOBY-OAHLLOKOSA-N 0 1 383.279 3.356 20 0 GGADMN Cc1noc(CN2CCCC[C@H](NCc3cc(Cl)ccc3Cl)C2=O)n1 ZINC000643736549 567518339 /nfs/dbraw/zinc/51/83/39/567518339.db2.gz GJMDNGNRVSUJLA-HNNXBMFYSA-N 0 1 383.279 3.356 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)CCCC(=O)c3ccc(Br)cc3)[C@@H]2C1 ZINC000504021645 567518752 /nfs/dbraw/zinc/51/87/52/567518752.db2.gz DVZCOOKZCQRGFD-RHSMWYFYSA-N 0 1 393.325 3.355 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1ccsc1 ZINC000663627780 567518947 /nfs/dbraw/zinc/51/89/47/567518947.db2.gz KSKLBTRIIGTHQK-ZBFHGGJFSA-N 0 1 381.567 3.471 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)CCCC(=O)c3ccc(Br)cc3)[C@H]2C1 ZINC000504021647 567519605 /nfs/dbraw/zinc/51/96/05/567519605.db2.gz DVZCOOKZCQRGFD-YOEHRIQHSA-N 0 1 393.325 3.355 20 0 GGADMN O=C(NCCCOC1CCCC1)NCc1nc2cccc(Br)c2[nH]1 ZINC000458085827 567520098 /nfs/dbraw/zinc/52/00/98/567520098.db2.gz AFOWYQFXRRCXIV-UHFFFAOYSA-N 0 1 395.301 3.474 20 0 GGADMN COC(=O)c1cn(CCN[C@@H]2CCCc3c(Cl)sc(Cl)c32)nn1 ZINC000551574700 567520251 /nfs/dbraw/zinc/52/02/51/567520251.db2.gz NONJQJPDLARAIT-SECBINFHSA-N 0 1 375.281 3.100 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000479264434 567520358 /nfs/dbraw/zinc/52/03/58/567520358.db2.gz VFAUXVTZIRSIHH-IRXDYDNUSA-N 0 1 399.304 3.363 20 0 GGADMN COc1cc(O)cc(NS(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000504061964 567520874 /nfs/dbraw/zinc/52/08/74/567520874.db2.gz SALLXPZHVCWHTJ-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000570893593 567521361 /nfs/dbraw/zinc/52/13/61/567521361.db2.gz QHPUDBWRJRQDDG-BBRMVZONSA-N 0 1 381.314 3.211 20 0 GGADMN CN(C[C@@H]1CCCN1C)C(=O)c1scc(Br)c1Br ZINC000529503227 567522465 /nfs/dbraw/zinc/52/24/65/567522465.db2.gz NADSNZFCKJYNDZ-QMMMGPOBSA-N 0 1 396.148 3.439 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NCc2ccc(Br)c(F)c2)n[nH]1 ZINC000458106655 567522824 /nfs/dbraw/zinc/52/28/24/567522824.db2.gz LMSKUVCTKYFCEJ-UHFFFAOYSA-N 0 1 384.253 3.003 20 0 GGADMN CCOCCN1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529521465 567523514 /nfs/dbraw/zinc/52/35/14/567523514.db2.gz PGGJWBLEPKNULP-UHFFFAOYSA-N 0 1 399.358 3.055 20 0 GGADMN CC(=O)N(C)C1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529525007 567523704 /nfs/dbraw/zinc/52/37/04/567523704.db2.gz AOBKTVVLQHYUIA-UHFFFAOYSA-N 0 1 397.342 3.343 20 0 GGADMN CCOC(=O)Cn1nc(C)c(CNCc2ccc(Br)c(F)c2)c1C ZINC000438211591 567524220 /nfs/dbraw/zinc/52/42/20/567524220.db2.gz WJNVALYTWMWTFK-UHFFFAOYSA-N 0 1 398.276 3.254 20 0 GGADMN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000504176737 567524354 /nfs/dbraw/zinc/52/43/54/567524354.db2.gz NGWMORLACPFXNL-CQSZACIVSA-N 0 1 381.885 3.253 20 0 GGADMN Clc1ccc(I)c(CNCCOC[C@H]2CCOC2)c1 ZINC000594922523 567524875 /nfs/dbraw/zinc/52/48/75/567524875.db2.gz GKWJLOYYCYVBBH-NSHDSACASA-N 0 1 395.668 3.087 20 0 GGADMN CSC[C@@H](CCO)NCc1cc(Cl)ccc1I ZINC000594922667 567525253 /nfs/dbraw/zinc/52/52/53/567525253.db2.gz PMMDNNPFYYTWHJ-LLVKDONJSA-N 0 1 385.698 3.148 20 0 GGADMN C[S@](=O)[C@@H]1CCC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000594958897 567528737 /nfs/dbraw/zinc/52/87/37/567528737.db2.gz AHKSLRXPDFHFHB-SUXZAAGHSA-N 0 1 378.519 3.318 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(OC)c1 ZINC000594960673 567528744 /nfs/dbraw/zinc/52/87/44/567528744.db2.gz JYCDOOPKANCFGF-OGXUTIIGSA-N 0 1 390.343 3.246 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(OC)c1 ZINC000594960675 567529120 /nfs/dbraw/zinc/52/91/20/567529120.db2.gz JYCDOOPKANCFGF-WBVVSNMSSA-N 0 1 390.343 3.246 20 0 GGADMN Cc1nc(C)c(Br)c(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000663760085 567529100 /nfs/dbraw/zinc/52/91/00/567529100.db2.gz RQPLMQDSWLLADD-GFCCVEGCSA-N 0 1 377.290 3.235 20 0 GGADMN Cc1nc(C)c(Br)c(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000663760085 567529107 /nfs/dbraw/zinc/52/91/07/567529107.db2.gz RQPLMQDSWLLADD-GFCCVEGCSA-N 0 1 377.290 3.235 20 0 GGADMN C[S@](=O)[C@H]1CCC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000594958896 567529564 /nfs/dbraw/zinc/52/95/64/567529564.db2.gz AHKSLRXPDFHFHB-RZAQHMAJSA-N 0 1 378.519 3.318 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)CCc1cc(F)ccc1Br ZINC000644090752 567530458 /nfs/dbraw/zinc/53/04/58/567530458.db2.gz GLXUSGGQGIJOBP-INIZCTEOSA-N 0 1 395.272 3.346 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)CCc1ccc(Br)cc1 ZINC000644090683 567530511 /nfs/dbraw/zinc/53/05/11/567530511.db2.gz FGEIFHYNNSHYOH-MRXNPFEDSA-N 0 1 377.282 3.207 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000644094399 567530692 /nfs/dbraw/zinc/53/06/92/567530692.db2.gz WZSSBLYCBKPAHA-INIZCTEOSA-N 0 1 389.293 3.306 20 0 GGADMN C[S@](=O)[C@H]1CCC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000594964039 567530725 /nfs/dbraw/zinc/53/07/25/567530725.db2.gz YXPGNXJEQPHZKV-PFFQYYOQSA-N 0 1 387.336 3.353 20 0 GGADMN Clc1cnc(CN2CCC[C@H](CN3CCOCC3)C2)c(Br)c1 ZINC000529558084 567530983 /nfs/dbraw/zinc/53/09/83/567530983.db2.gz RIQLGGCQHAOXSG-CYBMUJFWSA-N 0 1 388.737 3.042 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1cnc(-c2ccco2)s1 ZINC000504341059 567531084 /nfs/dbraw/zinc/53/10/84/567531084.db2.gz LGMDZMCXTIXYDM-UHFFFAOYSA-N 0 1 377.535 3.495 20 0 GGADMN OC[C@@H](NCc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000571024979 567531175 /nfs/dbraw/zinc/53/11/75/567531175.db2.gz SZSCXACPBLHAPD-CZUORRHYSA-N 0 1 397.338 3.450 20 0 GGADMN C[C@H](C[C@H]1CCCO1)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458211975 567531506 /nfs/dbraw/zinc/53/15/06/567531506.db2.gz BEATZGXXLHBOKY-GHMZBOCLSA-N 0 1 381.274 3.082 20 0 GGADMN OC[C@H](NCc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCCOC1 ZINC000571024977 567531838 /nfs/dbraw/zinc/53/18/38/567531838.db2.gz SZSCXACPBLHAPD-BBRMVZONSA-N 0 1 397.338 3.450 20 0 GGADMN CC[C@H](N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCCO1 ZINC000479402073 567531858 /nfs/dbraw/zinc/53/18/58/567531858.db2.gz KEMFQLPRSODTTM-BIGNPOOSSA-N 0 1 381.325 3.249 20 0 GGADMN CC(C)[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1F ZINC000479404341 567533406 /nfs/dbraw/zinc/53/34/06/567533406.db2.gz CSYUKLNQUOOZRI-CXAGYDPISA-N 0 1 389.489 3.148 20 0 GGADMN C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(Br)cc1[O-] ZINC000458221646 567533676 /nfs/dbraw/zinc/53/36/76/567533676.db2.gz KJHVJICDBVVOQA-UHFFFAOYSA-N 0 1 383.311 3.420 20 0 GGADMN COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc(OC)c1O ZINC000551763094 567534610 /nfs/dbraw/zinc/53/46/10/567534610.db2.gz KZTQEYHPLLBZFP-UHFFFAOYSA-N 0 1 392.209 3.301 20 0 GGADMN COc1ccc(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1Cl ZINC000479415196 567534947 /nfs/dbraw/zinc/53/49/47/567534947.db2.gz XQXFURVYVNIURO-CYBMUJFWSA-N 0 1 382.913 3.464 20 0 GGADMN COc1cc(C(=O)Nc2ccsc2Cl)cc(NS(C)(=O)=O)c1OC ZINC000438559584 567535071 /nfs/dbraw/zinc/53/50/71/567535071.db2.gz RPCNCRCFRZSPRZ-UHFFFAOYSA-N 0 1 390.870 3.043 20 0 GGADMN O=C(NCCCCc1ccc(Cl)s1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000504443507 567535610 /nfs/dbraw/zinc/53/56/10/567535610.db2.gz RBHHLBYKEKVAJU-OAHLLOKOSA-N 0 1 385.961 3.088 20 0 GGADMN C[C@@H](NC[C@@H](C)C(F)(F)F)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479456415 567535711 /nfs/dbraw/zinc/53/57/11/567535711.db2.gz PKVQRFHJUGDLTN-RNFRBKRXSA-N 0 1 379.231 3.490 20 0 GGADMN COCC(C)(C)N1CCN(Cc2ncc(Cl)cc2Br)CC1 ZINC000529612007 567536156 /nfs/dbraw/zinc/53/61/56/567536156.db2.gz PXSJAIIBJNYCPA-UHFFFAOYSA-N 0 1 376.726 3.040 20 0 GGADMN CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000571095457 567537277 /nfs/dbraw/zinc/53/72/77/567537277.db2.gz JCFJPTLDILVEHW-JTQLQIEISA-N 0 1 379.810 3.142 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000571099572 567537402 /nfs/dbraw/zinc/53/74/02/567537402.db2.gz ZBBDYWMAWJOXAB-AWEZNQCLSA-N 0 1 387.277 3.432 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(Br)c(F)c2)C[C@H](C)O1 ZINC000438615226 567537867 /nfs/dbraw/zinc/53/78/67/567537867.db2.gz XTEDIPVBKRBHMT-RYUDHWBXSA-N 0 1 388.281 3.209 20 0 GGADMN COC(=O)c1ccc(CNCCNc2cccc(C)n2)c(Br)c1 ZINC000551805304 567538096 /nfs/dbraw/zinc/53/80/96/567538096.db2.gz FMRFTQXUAMDHBX-UHFFFAOYSA-N 0 1 378.270 3.141 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(Br)c(F)c2)C[C@@H](C)O1 ZINC000438615228 567538204 /nfs/dbraw/zinc/53/82/04/567538204.db2.gz XTEDIPVBKRBHMT-VXGBXAGGSA-N 0 1 388.281 3.209 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c(Br)c1 ZINC000551808041 567538324 /nfs/dbraw/zinc/53/83/24/567538324.db2.gz PDBMCPKMYNLGMG-ZDUSSCGKSA-N 0 1 392.297 3.034 20 0 GGADMN COC(=O)c1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)c(Br)c1 ZINC000551808036 567538416 /nfs/dbraw/zinc/53/84/16/567538416.db2.gz PDBMCPKMYNLGMG-CYBMUJFWSA-N 0 1 392.297 3.034 20 0 GGADMN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000479481857 567538469 /nfs/dbraw/zinc/53/84/69/567538469.db2.gz IDOKMOXAUSKFBL-JLZZUVOBSA-N 0 1 377.282 3.341 20 0 GGADMN CS(=O)(=O)C1(CN[C@H]2CCc3c2c(Br)ccc3F)CCC1 ZINC000479473665 567538609 /nfs/dbraw/zinc/53/86/09/567538609.db2.gz GQDNFQCYUFOEIT-ZDUSSCGKSA-N 0 1 376.291 3.132 20 0 GGADMN CO[C@H](c1ccccc1)[C@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000479481858 567538972 /nfs/dbraw/zinc/53/89/72/567538972.db2.gz IDOKMOXAUSKFBL-VUCTXSBTSA-N 0 1 377.282 3.341 20 0 GGADMN CS(=O)(=O)C1(CN[C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000479490495 567539128 /nfs/dbraw/zinc/53/91/28/567539128.db2.gz PTMVDYZSAZKYSG-CYBMUJFWSA-N 0 1 378.719 3.257 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCc3nc(C(C)(C)C)ncc3C2)c1Br ZINC000529673570 567539762 /nfs/dbraw/zinc/53/97/62/567539762.db2.gz AUJCBIJARODCEO-UHFFFAOYSA-N 0 1 392.301 3.021 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3nn(C(C)C)cc3c2)cs1 ZINC000438755812 567541390 /nfs/dbraw/zinc/54/13/90/567541390.db2.gz OGBHCLMASUHXCS-UHFFFAOYSA-N 0 1 379.463 3.266 20 0 GGADMN Cc1c([C@@H](C)NCCN2CC=CCC2)nnn1-c1cccc(Br)c1 ZINC000479526528 567541417 /nfs/dbraw/zinc/54/14/17/567541417.db2.gz NEVRIHVOZWADRN-CQSZACIVSA-N 0 1 390.329 3.251 20 0 GGADMN C[C@H](N[C@@H](CO)CCC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479525142 567541579 /nfs/dbraw/zinc/54/15/79/567541579.db2.gz IVHIPNHZQBHFRA-WDEREUQCSA-N 0 1 397.368 3.479 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000571160153 567541451 /nfs/dbraw/zinc/54/14/51/567541451.db2.gz RDKFQQDRCXGLNO-AWEZNQCLSA-N 0 1 392.301 3.193 20 0 GGADMN CCc1nc(CNC(=O)NC[C@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000458368531 567541942 /nfs/dbraw/zinc/54/19/42/567541942.db2.gz OARLKGPBLPJIOL-JTQLQIEISA-N 0 1 398.330 3.110 20 0 GGADMN COC(=O)[C@]1(C)CN(Cc2c(Br)cc(OC)cc2OC)C[C@H]1C ZINC000504592107 567541956 /nfs/dbraw/zinc/54/19/56/567541956.db2.gz YCXSHBSXXSZVOJ-PIGZYNQJSA-N 0 1 386.286 3.097 20 0 GGADMN C[C@@H](N[C@H](CO)CCC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479525140 567542421 /nfs/dbraw/zinc/54/24/21/567542421.db2.gz IVHIPNHZQBHFRA-MNOVXSKESA-N 0 1 397.368 3.479 20 0 GGADMN NC(=O)[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1cccc(Br)c1 ZINC000479524670 567542516 /nfs/dbraw/zinc/54/25/16/567542516.db2.gz SOFJNBLAULNMIN-HZPDHXFCSA-N 0 1 381.314 3.447 20 0 GGADMN NC(=O)[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1cccc(Br)c1 ZINC000479524666 567542550 /nfs/dbraw/zinc/54/25/50/567542550.db2.gz SOFJNBLAULNMIN-HOTGVXAUSA-N 0 1 381.314 3.447 20 0 GGADMN O=C(c1cnc([C@H]2CCCO2)s1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000571157551 567542575 /nfs/dbraw/zinc/54/25/75/567542575.db2.gz GKTFCORYDFKNGO-LSDHHAIUSA-N 0 1 377.897 3.435 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1)C(=O)OC ZINC000438742229 567542640 /nfs/dbraw/zinc/54/26/40/567542640.db2.gz WKYLDXNRKUSEGX-ZBEGNZNMSA-N 0 1 387.307 3.276 20 0 GGADMN NC(=O)[C@H](NC[C@H]1CCC2(CCCCC2)O1)c1ccc(Br)cc1 ZINC000479522903 567542663 /nfs/dbraw/zinc/54/26/63/567542663.db2.gz DROCBTVFUUNWCW-HZPDHXFCSA-N 0 1 381.314 3.447 20 0 GGADMN O=C(NCCN1CCCCCC1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438768305 567543019 /nfs/dbraw/zinc/54/30/19/567543019.db2.gz CWUPYOKRJRTNQM-UHFFFAOYSA-N 0 1 393.325 3.042 20 0 GGADMN CC(C)[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000551919748 567543093 /nfs/dbraw/zinc/54/30/93/567543093.db2.gz BEKSIISGMWOGCM-PXAZEXFGSA-N 0 1 392.297 3.249 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)cs1 ZINC000438765077 567543831 /nfs/dbraw/zinc/54/38/31/567543831.db2.gz RDNWMRMESRKEGZ-UHFFFAOYSA-N 0 1 379.463 3.266 20 0 GGADMN CCCN1CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000620796002 567543835 /nfs/dbraw/zinc/54/38/35/567543835.db2.gz OPXBAHBSTWRHAT-UHFFFAOYSA-N 0 1 389.721 3.426 20 0 GGADMN C[N@@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000571171930 567543884 /nfs/dbraw/zinc/54/38/84/567543884.db2.gz FBPPEPVTGKHWJH-HNNXBMFYSA-N 0 1 394.265 3.019 20 0 GGADMN C[N@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000571171930 567543889 /nfs/dbraw/zinc/54/38/89/567543889.db2.gz FBPPEPVTGKHWJH-HNNXBMFYSA-N 0 1 394.265 3.019 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2C)cs1 ZINC000438769674 567544088 /nfs/dbraw/zinc/54/40/88/567544088.db2.gz 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CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644422838 567551951 /nfs/dbraw/zinc/55/19/51/567551951.db2.gz NZYZGAYEOFZEHY-RISCZKNCSA-N 0 1 385.835 3.069 20 0 GGADMN COC(=O)c1oc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1C ZINC000595312270 567552664 /nfs/dbraw/zinc/55/26/64/567552664.db2.gz IXSUVTBFMSOWQU-WDEREUQCSA-N 0 1 383.388 3.022 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000438910135 567553407 /nfs/dbraw/zinc/55/34/07/567553407.db2.gz GFCYUVGUVKTUDK-SUMWQHHRSA-N 0 1 393.325 3.401 20 0 GGADMN C[C@@H](Cc1ccccc1Br)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458556101 567553347 /nfs/dbraw/zinc/55/33/47/567553347.db2.gz ZXXCOBKHAFWVBI-NSHDSACASA-N 0 1 394.317 3.295 20 0 GGADMN Cc1c(Br)cc(C(=O)Nc2cc(Cl)c(O)cc2F)c(=O)n1C ZINC000571311212 567553832 /nfs/dbraw/zinc/55/38/32/567553832.db2.gz XEFGZIHSYCSUAB-UHFFFAOYSA-N 0 1 389.608 3.207 20 0 GGADMN C[C@@H]1[C@@H](NC(=O)c2ncc(Br)s2)CCN1Cc1ccccc1 ZINC000644488310 567553892 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CC[C@@H](CNC(=O)NCCCc1nc[nH]n1)Cc1cccc(Br)c1 ZINC000664173209 567556298 /nfs/dbraw/zinc/55/62/98/567556298.db2.gz IWHKKXHMLHHCEI-CYBMUJFWSA-N 0 1 394.317 3.068 20 0 GGADMN O=C(CCc1ccc(Br)cc1F)Nc1nc(-c2ccccn2)n[nH]1 ZINC000621038234 567556483 /nfs/dbraw/zinc/55/64/83/567556483.db2.gz AMEWFINAWZOZGT-UHFFFAOYSA-N 0 1 390.216 3.340 20 0 GGADMN CC(=O)c1ccc(OC[C@H](O)CNCc2sccc2Br)cc1 ZINC000644532315 567556583 /nfs/dbraw/zinc/55/65/83/567556583.db2.gz NLEWWWHJNAUVHH-CYBMUJFWSA-N 0 1 384.295 3.243 20 0 GGADMN CC[C@@H](C)N[C@H](CNS(=O)(=O)c1ccc(OC)cc1Cl)c1ccco1 ZINC000571358563 567556677 /nfs/dbraw/zinc/55/66/77/567556677.db2.gz CMQAJIQJELXRTF-IUODEOHRSA-N 0 1 386.901 3.349 20 0 GGADMN CC1(C)C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000458608596 567556987 /nfs/dbraw/zinc/55/69/87/567556987.db2.gz YWEQFFAWFDWDDN-JTQLQIEISA-N 0 1 381.274 3.082 20 0 GGADMN CC1(C)C[C@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000458608597 567557574 /nfs/dbraw/zinc/55/75/74/567557574.db2.gz 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387.820 3.040 20 0 GGADMN O=C(NCCCc1nc[nH]n1)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000664709090 567584078 /nfs/dbraw/zinc/58/40/78/567584078.db2.gz RAPXHBJYHVRSHU-OAHLLOKOSA-N 0 1 396.264 3.089 20 0 GGADMN O=C(NCCCc1nc[nH]n1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000664709089 567584266 /nfs/dbraw/zinc/58/42/66/567584266.db2.gz RAPXHBJYHVRSHU-HNNXBMFYSA-N 0 1 396.264 3.089 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@H]2c2cccc(Br)c2)n[nH]1 ZINC000458891210 567584395 /nfs/dbraw/zinc/58/43/95/567584395.db2.gz RDVBQQSMFAGSKG-ZDUSSCGKSA-N 0 1 378.274 3.176 20 0 GGADMN Cc1cnc([C@@H](C)NC[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000439426742 567584615 /nfs/dbraw/zinc/58/46/15/567584615.db2.gz BVUJKNBJFRDAAB-MFKMUULPSA-N 0 1 389.290 3.444 20 0 GGADMN C[C@H](CCS(C)(=O)=O)NCc1cc(C(F)(F)F)ccc1Br ZINC000571725146 567584727 /nfs/dbraw/zinc/58/47/27/567584727.db2.gz IOPSDWGMJBSWJJ-SECBINFHSA-N 0 1 388.249 3.381 20 0 GGADMN C[C@H](c1cccnc1)N(C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439435376 567584639 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LHZHNKUYMNGRQX-CHWSQXEVSA-N 0 1 380.311 3.042 20 0 GGADMN CC(C)c1nc(CNC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)n[nH]1 ZINC000664991445 567604931 /nfs/dbraw/zinc/60/49/31/567604931.db2.gz UZUILFFSLTUGFX-LBPRGKRZSA-N 0 1 386.283 3.110 20 0 GGADMN CC1(C)CN(C(=O)NCc2n[nH]c(C3CC3)n2)c2cc(Br)ccc21 ZINC000664990073 567605026 /nfs/dbraw/zinc/60/50/26/567605026.db2.gz QREXCMGCNRJXHI-UHFFFAOYSA-N 0 1 390.285 3.452 20 0 GGADMN Cc1nccnc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000621714721 567605941 /nfs/dbraw/zinc/60/59/41/567605941.db2.gz XGZNSBXSXUOWJX-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H](C)C1 ZINC000459199760 567606382 /nfs/dbraw/zinc/60/63/82/567606382.db2.gz ICGPRGPKXPNRBP-QWRGUYRKSA-N 0 1 381.274 3.034 20 0 GGADMN CO[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H](C)C1 ZINC000459199762 567606686 /nfs/dbraw/zinc/60/66/86/567606686.db2.gz ICGPRGPKXPNRBP-WDEREUQCSA-N 0 1 381.274 3.034 20 0 GGADMN C[C@]1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCC[C@@H]1O ZINC000459188794 567606862 /nfs/dbraw/zinc/60/68/62/567606862.db2.gz CPKRXQRYJNTLKV-SUMWQHHRSA-N 0 1 395.301 3.066 20 0 GGADMN CN(CCC1CCOCC1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459193487 567606900 /nfs/dbraw/zinc/60/69/00/567606900.db2.gz FQLUBUWOZNUXAK-UHFFFAOYSA-N 0 1 395.301 3.284 20 0 GGADMN CC(C)[C@H](NCc1ncc(Br)cc1Br)C(C)(C)O ZINC000480482875 567607336 /nfs/dbraw/zinc/60/73/36/567607336.db2.gz RUBZYPMFXRHFAF-LBPRGKRZSA-N 0 1 380.124 3.492 20 0 GGADMN CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211291 567607806 /nfs/dbraw/zinc/60/78/06/567607806.db2.gz LWIOVHWTAAMHCE-GHMZBOCLSA-N 0 1 381.274 3.034 20 0 GGADMN C[C@@H](O)C[C@@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459211180 567608051 /nfs/dbraw/zinc/60/80/51/567608051.db2.gz LRRSOCOROQNMEK-NEPJUHHUSA-N 0 1 395.301 3.160 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCS1 ZINC000459219354 567608098 /nfs/dbraw/zinc/60/80/98/567608098.db2.gz RTOZHHQMOBKZQG-SNVBAGLBSA-N 0 1 383.315 3.362 20 0 GGADMN COCCC1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000459221468 567608337 /nfs/dbraw/zinc/60/83/37/567608337.db2.gz UBZDSKKPXKEZQL-UHFFFAOYSA-N 0 1 381.274 3.084 20 0 GGADMN Cc1c([C@@H](C)NCCc2cnccn2)nnn1-c1cccc(Br)c1 ZINC000530518766 567608489 /nfs/dbraw/zinc/60/84/89/567608489.db2.gz ZLQTWBJMSIJDIR-GFCCVEGCSA-N 0 1 387.285 3.022 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000459210046 567608644 /nfs/dbraw/zinc/60/86/44/567608644.db2.gz LGAHRWIZMZDJTE-QWRGUYRKSA-N 0 1 381.274 3.034 20 0 GGADMN Cc1nc(CN(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)cs1 ZINC000459218131 567608660 /nfs/dbraw/zinc/60/86/60/567608660.db2.gz QRUXHTBSTFVQLN-UHFFFAOYSA-N 0 1 394.298 3.432 20 0 GGADMN Cc1cccc(CCN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)n1 ZINC000530524376 567608769 /nfs/dbraw/zinc/60/87/69/567608769.db2.gz DZAZDYLJPAYOTR-INIZCTEOSA-N 0 1 395.322 3.203 20 0 GGADMN C[C@@H]1SCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H]1C ZINC000459209018 567608856 /nfs/dbraw/zinc/60/88/56/567608856.db2.gz LDAHNUQTWAQUKK-UWVGGRQHSA-N 0 1 383.315 3.361 20 0 GGADMN CO[C@]1(C)CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459211614 567608888 /nfs/dbraw/zinc/60/88/88/567608888.db2.gz MAGZRGFPMXJLGW-MRXNPFEDSA-N 0 1 381.274 3.036 20 0 GGADMN CCC(CC)(CCO)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218706 567608924 /nfs/dbraw/zinc/60/89/24/567608924.db2.gz RBSOIAQXTXCNHL-UHFFFAOYSA-N 0 1 397.317 3.313 20 0 GGADMN CCC1(CO)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459223306 567609479 /nfs/dbraw/zinc/60/94/79/567609479.db2.gz VZBKCWBOHJRKNI-UHFFFAOYSA-N 0 1 395.301 3.020 20 0 GGADMN CCC(CC)(CCO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459223939 567609722 /nfs/dbraw/zinc/60/97/22/567609722.db2.gz WJHJGCFDMKUBJZ-UHFFFAOYSA-N 0 1 383.290 3.066 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CCN1CC(C)(C)O ZINC000439964152 567609750 /nfs/dbraw/zinc/60/97/50/567609750.db2.gz PEFSYJBMFVMEFZ-JTQLQIEISA-N 0 1 378.275 3.441 20 0 GGADMN CN(Cc1ccc(Br)cc1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459231396 567609769 /nfs/dbraw/zinc/60/97/69/567609769.db2.gz ASOXYMDKGSIYHC-UHFFFAOYSA-N 0 1 380.290 3.206 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cnnn1-c1c(Cl)cccc1Cl ZINC000530534803 567609948 /nfs/dbraw/zinc/60/99/48/567609948.db2.gz FXLNRYSCQDFOSD-GFCCVEGCSA-N 0 1 377.235 3.105 20 0 GGADMN CCOC[C@@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459223416 567609958 /nfs/dbraw/zinc/60/99/58/567609958.db2.gz WEYACEAYHPHFNX-GFCCVEGCSA-N 0 1 395.301 3.284 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439979730 567610061 /nfs/dbraw/zinc/61/00/61/567610061.db2.gz MXRIZVVBASDSLI-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN CN(Cc1cc(Br)ccc1F)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459253961 567610154 /nfs/dbraw/zinc/61/01/54/567610154.db2.gz GGWYWIZMHGWMHN-UHFFFAOYSA-N 0 1 398.280 3.345 20 0 GGADMN CN(Cc1cccc(Br)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459271118 567611173 /nfs/dbraw/zinc/61/11/73/567611173.db2.gz ZVLIKVSEJRNAIH-UHFFFAOYSA-N 0 1 380.290 3.206 20 0 GGADMN COc1ccc(Br)cc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459268334 567611831 /nfs/dbraw/zinc/61/18/31/567611831.db2.gz VNXJGVDFNOLXLP-UHFFFAOYSA-N 0 1 382.262 3.195 20 0 GGADMN [O-]c1c(F)cc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)cc1Br ZINC000621808815 567612129 /nfs/dbraw/zinc/61/21/29/567612129.db2.gz XRELYFGBVBDPBP-QMMMGPOBSA-N 0 1 379.189 3.270 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc(Br)cn1C)c1ccc(Cl)cc1 ZINC000530590129 567612699 /nfs/dbraw/zinc/61/26/99/567612699.db2.gz DDZVNJNXELWNBK-OAHLLOKOSA-N 0 1 384.705 3.474 20 0 GGADMN CC(C)n1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530590015 567612750 /nfs/dbraw/zinc/61/27/50/567612750.db2.gz OVTMHZDXNCWXOL-OAHLLOKOSA-N 0 1 381.933 3.024 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000530589503 567612983 /nfs/dbraw/zinc/61/29/83/567612983.db2.gz WTPWFSDRYODQQO-MRXNPFEDSA-N 0 1 380.275 3.351 20 0 GGADMN Cn1nc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000645220891 567613550 /nfs/dbraw/zinc/61/35/50/567613550.db2.gz SEGIUUDSAOTYEY-UHFFFAOYSA-N 0 1 377.897 3.180 20 0 GGADMN O=S(=O)(c1ccc(Br)s1)N1CCCN(CCC2CC2)CC1 ZINC000480593066 567613657 /nfs/dbraw/zinc/61/36/57/567613657.db2.gz PFTIQUCMQFHFLU-UHFFFAOYSA-N 0 1 393.372 3.007 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000572121281 567614039 /nfs/dbraw/zinc/61/40/39/567614039.db2.gz VZNSIBKCQFOGKH-CQSZACIVSA-N 0 1 376.298 3.472 20 0 GGADMN C[C@@](N)(C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 ZINC000645261226 567614219 /nfs/dbraw/zinc/61/42/19/567614219.db2.gz VCVDMLZLPVWJEU-SFHVURJKSA-N 0 1 391.265 3.423 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NCCc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000506193049 567614268 /nfs/dbraw/zinc/61/42/68/567614268.db2.gz RZXGTYISNBUFDO-OKILXGFUSA-N 0 1 388.339 3.334 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)c1cc(C)nc2cc(Br)ccc21 ZINC000572121277 567614417 /nfs/dbraw/zinc/61/44/17/567614417.db2.gz VZNSIBKCQFOGKH-AWEZNQCLSA-N 0 1 376.298 3.472 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000440068720 567614413 /nfs/dbraw/zinc/61/44/13/567614413.db2.gz HXCFPLDEEVYSQK-UONOGXRCSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000440083181 567615786 /nfs/dbraw/zinc/61/57/86/567615786.db2.gz SLWSNBGOYPSIIX-NWDGAFQWSA-N 0 1 382.423 3.243 20 0 GGADMN COCC(=O)Nc1cccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000530639937 567616602 /nfs/dbraw/zinc/61/66/02/567616602.db2.gz OISYPMDGBNOYMR-UHFFFAOYSA-N 0 1 383.231 3.214 20 0 GGADMN Cc1nc(C)c(CC(=O)Nc2cc(Cl)cc(Br)c2O)c(=O)[nH]1 ZINC000530656401 567616653 /nfs/dbraw/zinc/61/66/53/567616653.db2.gz DEDMRBSCPIAKNS-UHFFFAOYSA-N 0 1 386.633 3.102 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000572156019 567617203 /nfs/dbraw/zinc/61/72/03/567617203.db2.gz VSQRGTSXMLJGBL-UHFFFAOYSA-N 0 1 393.408 3.088 20 0 GGADMN O=C(CCNCc1ccsc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000480638743 567617657 /nfs/dbraw/zinc/61/76/57/567617657.db2.gz RYTQNALZXJWYHC-UHFFFAOYSA-N 0 1 381.904 3.369 20 0 GGADMN O=S(=O)(Nc1cccc(Cn2cncn2)c1)c1cc(Cl)ccc1Cl ZINC000530665681 567617691 /nfs/dbraw/zinc/61/76/91/567617691.db2.gz OEKSFCKOPBBKFA-UHFFFAOYSA-N 0 1 383.260 3.434 20 0 GGADMN CCN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)[C@@H](C)C1 ZINC000552984424 567618903 /nfs/dbraw/zinc/61/89/03/567618903.db2.gz ZBZYCSPBVQLYPU-AWEZNQCLSA-N 0 1 377.941 3.482 20 0 GGADMN COCc1cc(CNC[C@H]2CCN(c3cccc(Br)c3)C2)no1 ZINC000459388515 567619861 /nfs/dbraw/zinc/61/98/61/567619861.db2.gz FUVGJNSTKGGXEK-CYBMUJFWSA-N 0 1 380.286 3.200 20 0 GGADMN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Br)cc2C)[C@@H]1SC ZINC000459384281 567619894 /nfs/dbraw/zinc/61/98/94/567619894.db2.gz HZJLUQILMIFQTO-FMKPAKJESA-N 0 1 387.343 3.195 20 0 GGADMN O=C([O-])CCC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000665343838 567619982 /nfs/dbraw/zinc/61/99/82/567619982.db2.gz WXWIXUUQMCYFCH-UHFFFAOYSA-N 0 1 393.285 3.107 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1nn(C(C)(C)C)cc1Br)c1cccs1 ZINC000665334006 567620059 /nfs/dbraw/zinc/62/00/59/567620059.db2.gz IENQKYSOMYSFCW-LBPRGKRZSA-N 0 1 399.358 3.495 20 0 GGADMN C[C@H](C(=O)N(Cc1cccc(Br)c1)C1CCOCC1)N1CC(C)C1 ZINC000572176575 567620294 /nfs/dbraw/zinc/62/02/94/567620294.db2.gz DYVKGAXRWACTGF-OAHLLOKOSA-N 0 1 395.341 3.297 20 0 GGADMN CC[N@H+]1CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)[C@H](C)C1 ZINC000552999674 567620493 /nfs/dbraw/zinc/62/04/93/567620493.db2.gz QEOLWSCTJWANIQ-LLVKDONJSA-N 0 1 380.286 3.105 20 0 GGADMN CCN1CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)[C@H](C)C1 ZINC000552999674 567620497 /nfs/dbraw/zinc/62/04/97/567620497.db2.gz QEOLWSCTJWANIQ-LLVKDONJSA-N 0 1 380.286 3.105 20 0 GGADMN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H]1SC ZINC000459382765 567620729 /nfs/dbraw/zinc/62/07/29/567620729.db2.gz WZEMNWRXPWHNHM-KZNAEPCWSA-N 0 1 385.595 3.256 20 0 GGADMN CC[N@H+]1CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)[C@@H](C)C1 ZINC000552999676 567620686 /nfs/dbraw/zinc/62/06/86/567620686.db2.gz QEOLWSCTJWANIQ-NSHDSACASA-N 0 1 380.286 3.105 20 0 GGADMN CCN1CCN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)[C@@H](C)C1 ZINC000552999676 567620691 /nfs/dbraw/zinc/62/06/91/567620691.db2.gz QEOLWSCTJWANIQ-NSHDSACASA-N 0 1 380.286 3.105 20 0 GGADMN COC(=O)CC1(NCc2cc3c(cc2Br)OCCCO3)CCC1 ZINC000459393967 567620831 /nfs/dbraw/zinc/62/08/31/567620831.db2.gz WRGOSZHNLYLKPO-UHFFFAOYSA-N 0 1 384.270 3.186 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc(Br)c(OC)s1 ZINC000572205348 567621431 /nfs/dbraw/zinc/62/14/31/567621431.db2.gz FAMBEEGJQISFLB-LLVKDONJSA-N 0 1 375.332 3.400 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000530749295 567622242 /nfs/dbraw/zinc/62/22/42/567622242.db2.gz HIVRVOPTSSUKNP-JTQLQIEISA-N 0 1 375.694 3.268 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cccc(Br)c2O)[C@@H](CC)CN1C(C)=O ZINC000530748185 567622580 /nfs/dbraw/zinc/62/25/80/567622580.db2.gz WMRYRDMMDSXHMQ-OLZOCXBDSA-N 0 1 383.286 3.016 20 0 GGADMN [O-]c1cccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1Br ZINC000459406819 567622652 /nfs/dbraw/zinc/62/26/52/567622652.db2.gz 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/nfs/dbraw/zinc/62/39/44/567623944.db2.gz KDKINDZMCSDZFG-OAHLLOKOSA-N 0 1 381.519 3.003 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Br)s1 ZINC000506389450 567623975 /nfs/dbraw/zinc/62/39/75/567623975.db2.gz QYEJIOGKAVDLQD-LLVKDONJSA-N 0 1 377.267 3.343 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(F)c(Br)c1 ZINC000506373188 567624266 /nfs/dbraw/zinc/62/42/66/567624266.db2.gz RFPPTNZULUOVCJ-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN CCn1cc(Br)cc1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506393985 567624371 /nfs/dbraw/zinc/62/43/71/567624371.db2.gz GMHOFUUDJRAFPQ-CQSZACIVSA-N 0 1 388.269 3.102 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)Nc2cccc(-c3cn[nH]n3)c2)n1 ZINC000621950637 567624831 /nfs/dbraw/zinc/62/48/31/567624831.db2.gz ZTQZSNOBWWUFEN-UHFFFAOYSA-N 0 1 389.257 3.438 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1c(F)cc(Br)cc1F ZINC000530794538 567624937 /nfs/dbraw/zinc/62/49/37/567624937.db2.gz MQAJVDHUNKGZMF-UHFFFAOYSA-N 0 1 388.168 3.188 20 0 GGADMN 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ARBIBAXQHMIUKE-UHFFFAOYSA-N 0 1 382.111 3.348 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(F)c(I)c1 ZINC000506911310 567649064 /nfs/dbraw/zinc/64/90/64/567649064.db2.gz PDQVPTPGOGENMK-UHFFFAOYSA-N 0 1 399.085 3.425 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)c1cn[nH]c1-c1ccccn1 ZINC000572566710 567649600 /nfs/dbraw/zinc/64/96/00/567649600.db2.gz ZQDKACIKPIFYCQ-UHFFFAOYSA-N 0 1 389.228 3.346 20 0 GGADMN Cc1nc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(Br)s1 ZINC000553393504 567649932 /nfs/dbraw/zinc/64/99/32/567649932.db2.gz VTVFRIHJPVUGSU-LLVKDONJSA-N 0 1 394.338 3.391 20 0 GGADMN COC(=O)c1cc(Br)ccc1NC(=O)N1CCN(CC(C)C)CC1 ZINC000506938610 567650253 /nfs/dbraw/zinc/65/02/53/567650253.db2.gz WAIGPJLGDVDJQH-UHFFFAOYSA-N 0 1 398.301 3.041 20 0 GGADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000622521381 567650386 /nfs/dbraw/zinc/65/03/86/567650386.db2.gz PNCGVOXJPCGTIR-GFCCVEGCSA-N 0 1 377.725 3.435 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506924123 567650376 /nfs/dbraw/zinc/65/03/76/567650376.db2.gz VPWQMPSRWLOXQE-ZCFIWIBFSA-N 0 1 395.168 3.492 20 0 GGADMN COc1ccc(C)nc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000531306212 567652507 /nfs/dbraw/zinc/65/25/07/567652507.db2.gz AAFHIMXSDQHJBU-UHFFFAOYSA-N 0 1 388.221 3.255 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1Cl ZINC000481058106 567654453 /nfs/dbraw/zinc/65/44/53/567654453.db2.gz KXSMUUYSTCHALA-LLVKDONJSA-N 0 1 390.690 3.182 20 0 GGADMN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507008430 567654524 /nfs/dbraw/zinc/65/45/24/567654524.db2.gz QDSNHMMVFRQENC-UHFFFAOYSA-N 0 1 381.885 3.230 20 0 GGADMN COc1cccc2c1C[C@H](NCc1ncc(I)s1)C2 ZINC000459723411 567654775 /nfs/dbraw/zinc/65/47/75/567654775.db2.gz IPQKLFHHGFFTNB-SNVBAGLBSA-N 0 1 386.258 3.013 20 0 GGADMN OCC1(NCc2ncc(-c3ccccc3Br)o2)CCSCC1 ZINC000459722148 567655328 /nfs/dbraw/zinc/65/53/28/567655328.db2.gz ZKUADJCDOWZIKO-UHFFFAOYSA-N 0 1 383.311 3.452 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1csc(-c2ncccc2F)n1)c1cccs1 ZINC000507024654 567655713 /nfs/dbraw/zinc/65/57/13/567655713.db2.gz ASSFYYKIYHASMS-ZDUSSCGKSA-N 0 1 376.482 3.438 20 0 GGADMN COc1ccc(Br)cc1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000531371889 567655780 /nfs/dbraw/zinc/65/57/80/567655780.db2.gz YEXCJMFFEUDVLV-UHFFFAOYSA-N 0 1 395.272 3.459 20 0 GGADMN Cc1cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c(C)cc1Br ZINC000507034261 567656199 /nfs/dbraw/zinc/65/61/99/567656199.db2.gz AHLSUXPXDKCTMA-HNNXBMFYSA-N 0 1 383.330 3.153 20 0 GGADMN Cc1cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(C)cc1Br ZINC000507034263 567656269 /nfs/dbraw/zinc/65/62/69/567656269.db2.gz AHLSUXPXDKCTMA-OAHLLOKOSA-N 0 1 383.330 3.153 20 0 GGADMN CCOc1cc(Br)c(F)cc1NC(=O)NCCN1CC=CCC1 ZINC000572653340 567656403 /nfs/dbraw/zinc/65/64/03/567656403.db2.gz DIPTYOJAMQACCW-UHFFFAOYSA-N 0 1 386.265 3.370 20 0 GGADMN CN1CCC[C@@H](CSc2nc(-c3ccccc3Br)n[nH]2)C1=O ZINC000553457128 567656765 /nfs/dbraw/zinc/65/67/65/567656765.db2.gz SYNZDXMQEPJLHD-JTQLQIEISA-N 0 1 381.299 3.195 20 0 GGADMN COc1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c(Br)c1 ZINC000572682771 567657847 /nfs/dbraw/zinc/65/78/47/567657847.db2.gz UOIKKWXJZMHPDZ-HNNXBMFYSA-N 0 1 381.314 3.196 20 0 GGADMN CC(=O)N[C@@H](C)C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000481126472 567659446 /nfs/dbraw/zinc/65/94/46/567659446.db2.gz NMAVKDUFMJFOPL-NSHDSACASA-N 0 1 379.302 3.062 20 0 GGADMN O=C(CCc1nc[nH]n1)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000507114233 567659637 /nfs/dbraw/zinc/65/96/37/567659637.db2.gz YJWNAEJUMWYAON-UHFFFAOYSA-N 0 1 383.677 3.001 20 0 GGADMN NC(=O)C1(NCc2ccc(F)cc2Br)C2CC3CC(C2)CC1C3 ZINC000459782897 567659741 /nfs/dbraw/zinc/65/97/41/567659741.db2.gz PEQWJVYYVGLMKC-UHFFFAOYSA-N 0 1 381.289 3.358 20 0 GGADMN NC(=O)C1(NCc2ccc(Br)cc2F)C2CC3CC(C2)CC1C3 ZINC000459791796 567659994 /nfs/dbraw/zinc/65/99/94/567659994.db2.gz TVXHGRCESLFPRB-UHFFFAOYSA-N 0 1 381.289 3.358 20 0 GGADMN Cc1ccnc(N2CCC(CCCN3CCOCC3)CC2)c1Br ZINC000553516404 567660322 /nfs/dbraw/zinc/66/03/22/567660322.db2.gz FLJNADWFCRQUNE-UHFFFAOYSA-N 0 1 382.346 3.481 20 0 GGADMN Cc1cnc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c(Br)c1 ZINC000622833392 567660453 /nfs/dbraw/zinc/66/04/53/567660453.db2.gz ZUWSRXPGIVTTDI-UWVGGRQHSA-N 0 1 397.191 3.075 20 0 GGADMN COc1ccc(F)cc1S(=O)(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F ZINC000645737365 567660902 /nfs/dbraw/zinc/66/09/02/567660902.db2.gz IJGKAKTUWGCDTH-NSHDSACASA-N 0 1 384.376 3.181 20 0 GGADMN CCCOc1c(Br)cc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1OCC ZINC000441330681 567661467 /nfs/dbraw/zinc/66/14/67/567661467.db2.gz FXVSEHYDKPWGEB-BLLLJJGKSA-N 0 1 399.329 3.251 20 0 GGADMN NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1O)c1cccc(Cl)c1 ZINC000531470061 567661658 /nfs/dbraw/zinc/66/16/58/567661658.db2.gz HWRHJIQMZVGLRU-CYBMUJFWSA-N 0 1 397.656 3.155 20 0 GGADMN Cc1ccc2cccc(S(=O)(=O)Nc3ccc(Cl)c(C(N)=O)c3)c2n1 ZINC000531486920 567661849 /nfs/dbraw/zinc/66/18/49/567661849.db2.gz XVFPUUWQTBQZIB-UHFFFAOYSA-N 0 1 375.837 3.096 20 0 GGADMN Cc1nc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)sc1C(F)(F)F ZINC000622861876 567662793 /nfs/dbraw/zinc/66/27/93/567662793.db2.gz LAPDBMCJFPGEKG-HTQZYQBOSA-N 0 1 392.321 3.393 20 0 GGADMN Cc1nc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)sc1C(F)(F)F ZINC000622861879 567662862 /nfs/dbraw/zinc/66/28/62/567662862.db2.gz LAPDBMCJFPGEKG-YUMQZZPRSA-N 0 1 392.321 3.393 20 0 GGADMN Cc1nc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)sc1C(F)(F)F ZINC000622861877 567662969 /nfs/dbraw/zinc/66/29/69/567662969.db2.gz LAPDBMCJFPGEKG-JGVFFNPUSA-N 0 1 392.321 3.393 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)NC(=O)c1conc1C(C)(C)N ZINC000572780537 567664010 /nfs/dbraw/zinc/66/40/10/567664010.db2.gz NNNJNQIAUUOGRY-LBPRGKRZSA-N 0 1 380.286 3.382 20 0 GGADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000507173788 567664457 /nfs/dbraw/zinc/66/44/57/567664457.db2.gz OQWZEWBDAZARQW-OAHLLOKOSA-N 0 1 396.260 3.030 20 0 GGADMN O=C(c1cc(F)c(Br)c(Cl)c1)N1CCN(CC2CC2)CC1 ZINC000507193897 567665600 /nfs/dbraw/zinc/66/56/00/567665600.db2.gz VMJBUKZMYAVZRL-UHFFFAOYSA-N 0 1 375.669 3.409 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CCCN2C)n1C ZINC000572787477 567665694 /nfs/dbraw/zinc/66/56/94/567665694.db2.gz DPWWPSHEWOGTFQ-AWEZNQCLSA-N 0 1 377.286 3.191 20 0 GGADMN Cn1cc(CN[C@H]2CCCOc3ccc(I)cc32)cn1 ZINC000481255723 567666128 /nfs/dbraw/zinc/66/61/28/567666128.db2.gz IVAWLYLRUGAPOL-AWEZNQCLSA-N 0 1 383.233 3.028 20 0 GGADMN C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccccc1Br ZINC000507208578 567667455 /nfs/dbraw/zinc/66/74/55/567667455.db2.gz GPJJOTYVHDNERH-SMDDNHRTSA-N 0 1 381.236 3.363 20 0 GGADMN COCCC1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCC1 ZINC000531600142 567668176 /nfs/dbraw/zinc/66/81/76/567668176.db2.gz GPYNOMWGAHMDRW-UHFFFAOYSA-N 0 1 379.258 3.380 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441538679 567668468 /nfs/dbraw/zinc/66/84/68/567668468.db2.gz WIZKIGHGSNOJJM-CQSZACIVSA-N 0 1 380.857 3.347 20 0 GGADMN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000441536915 567668523 /nfs/dbraw/zinc/66/85/23/567668523.db2.gz RTRKKPSIVUNESK-LRDDRELGSA-N 0 1 382.917 3.330 20 0 GGADMN O=S(=O)(C[C@H]1CCCCO1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441547924 567668588 /nfs/dbraw/zinc/66/85/88/567668588.db2.gz RRGBIJGJBVTNTR-CJNGLKHVSA-N 0 1 383.901 3.252 20 0 GGADMN C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441532687 567668670 /nfs/dbraw/zinc/66/86/70/567668670.db2.gz HMKXYAXPFZXUJX-WBMJQRKESA-N 0 1 382.917 3.472 20 0 GGADMN O=S(=O)(c1cncc(F)c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441555657 567670144 /nfs/dbraw/zinc/67/01/44/567670144.db2.gz YNONBJSZKXYSCK-HNNXBMFYSA-N 0 1 380.832 3.276 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000481333123 567671984 /nfs/dbraw/zinc/67/19/84/567671984.db2.gz RFPWQWKFOMVMLG-UHFFFAOYSA-N 0 1 387.237 3.002 20 0 GGADMN CC(C)N([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCC(F)(F)F ZINC000645832923 567672434 /nfs/dbraw/zinc/67/24/34/567672434.db2.gz UOWICEHEKVMHKZ-MRXNPFEDSA-N 0 1 378.460 3.254 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)[C@H]2C1 ZINC000572887201 567672929 /nfs/dbraw/zinc/67/29/29/567672929.db2.gz LHIZLXMLIFBTPT-RNCFNFMXSA-N 0 1 390.698 3.138 20 0 GGADMN CSc1n[nH]c(NC(=O)c2ccc(Br)cc2Br)n1 ZINC000507282328 567673229 /nfs/dbraw/zinc/67/32/29/567673229.db2.gz JJWUNDUBAGURGU-UHFFFAOYSA-N 0 1 392.076 3.304 20 0 GGADMN Cc1nnc(SCC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)[nH]1 ZINC000553663170 567673699 /nfs/dbraw/zinc/67/36/99/567673699.db2.gz FLXBLNVYGLRNRZ-UHFFFAOYSA-N 0 1 397.342 3.414 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC(C)(C)Cc2ccc(Br)c(C)c2)n1 ZINC000553663170 567673705 /nfs/dbraw/zinc/67/37/05/567673705.db2.gz FLXBLNVYGLRNRZ-UHFFFAOYSA-N 0 1 397.342 3.414 20 0 GGADMN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000531705201 567674215 /nfs/dbraw/zinc/67/42/15/567674215.db2.gz HLJAJDXAAUWLSS-ZNMIVQPWSA-N 0 1 375.270 3.405 20 0 GGADMN CCOc1ccccc1[C@H](C)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000531696632 567674411 /nfs/dbraw/zinc/67/44/11/567674411.db2.gz FGUVKOADAHEEMD-AWEZNQCLSA-N 0 1 382.913 3.368 20 0 GGADMN COc1ccc([C@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)c(F)c1 ZINC000531696885 567675016 /nfs/dbraw/zinc/67/50/16/567675016.db2.gz KRGAGIDWZZGHPG-LBPRGKRZSA-N 0 1 386.876 3.117 20 0 GGADMN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2sccc2Br)C1 ZINC000507326884 567675159 /nfs/dbraw/zinc/67/51/59/567675159.db2.gz ADSXQMBXRWGEDN-LLVKDONJSA-N 0 1 395.388 3.299 20 0 GGADMN CN(C)[C@]1(CNS(=O)(=O)c2ccccc2-c2ccccc2)CCSC1 ZINC000481392069 567676225 /nfs/dbraw/zinc/67/62/25/567676225.db2.gz KKHQCQDQWWYHHN-IBGZPJMESA-N 0 1 376.547 3.069 20 0 GGADMN O=C(NCCc1nc2cc(Cl)ccc2s1)N1CCN(CC2CC2)CC1 ZINC000531785439 567678415 /nfs/dbraw/zinc/67/84/15/567678415.db2.gz FGGZWQKXMCRDBL-UHFFFAOYSA-N 0 1 378.929 3.229 20 0 GGADMN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(Br)c1O ZINC000531774128 567678595 /nfs/dbraw/zinc/67/85/95/567678595.db2.gz DHUADSNGYRFHQX-GFCCVEGCSA-N 0 1 379.258 3.135 20 0 GGADMN CCn1cc(Br)cc1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553743808 567678783 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NC(=O)[C@@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1cccc(Br)c1 ZINC000442860135 567712440 /nfs/dbraw/zinc/71/24/40/567712440.db2.gz BEVRZZXFVDJZQJ-UGSOOPFHSA-N 0 1 384.277 3.214 20 0 GGADMN CN1CCC2(CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000507889452 567712998 /nfs/dbraw/zinc/71/29/98/567712998.db2.gz DQNXGPGJVIIBHC-UHFFFAOYSA-N 0 1 380.407 3.093 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2)c(OC)c1 ZINC000507890220 567713772 /nfs/dbraw/zinc/71/37/72/567713772.db2.gz QKGRHXGKHMLEJH-UHFFFAOYSA-N 0 1 383.853 3.120 20 0 GGADMN CN1CCC2(CCCN2S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000507904869 567714355 /nfs/dbraw/zinc/71/43/55/567714355.db2.gz LHBJWJCLVVPDBA-UHFFFAOYSA-N 0 1 394.871 3.190 20 0 GGADMN CS(=O)(=O)Nc1ccc(OCCNCc2c(F)ccc(F)c2Cl)cc1 ZINC000623482936 567714788 /nfs/dbraw/zinc/71/47/88/567714788.db2.gz MMBFHAUNFDYWJS-UHFFFAOYSA-N 0 1 390.839 3.158 20 0 GGADMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)ccc1C ZINC000507904409 567714844 /nfs/dbraw/zinc/71/48/44/567714844.db2.gz 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/nfs/dbraw/zinc/71/99/03/567719903.db2.gz HDIXXUMLENAXSO-UHFFFAOYSA-N 0 1 387.343 3.006 20 0 GGADMN O=S(=O)(CCc1cccc(Cl)c1)Nc1cccc(F)c1-c1nnc[nH]1 ZINC000507964939 567719968 /nfs/dbraw/zinc/71/99/68/567719968.db2.gz AHHONCZSMATEBP-UHFFFAOYSA-N 0 1 380.832 3.249 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccsc2)cc1Oc1ccc(C)nn1 ZINC000507987257 567720900 /nfs/dbraw/zinc/72/09/00/567720900.db2.gz XFXJVNSVDMWBMD-UHFFFAOYSA-N 0 1 377.447 3.448 20 0 GGADMN C[C@H]1N(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CCC12CCOCC2 ZINC000646500349 567721508 /nfs/dbraw/zinc/72/15/08/567721508.db2.gz GLYXHVVADBQAID-DYVFJYSZSA-N 0 1 381.314 3.041 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)Nc2c(C)cc(C)cc2Br)c1 ZINC000461128005 567722370 /nfs/dbraw/zinc/72/23/70/567722370.db2.gz RORPFAFXFVHBGB-UHFFFAOYSA-N 0 1 388.239 3.246 20 0 GGADMN CN(C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CC(C)(C)C ZINC000442990350 567722944 /nfs/dbraw/zinc/72/29/44/567722944.db2.gz LLOOZNDSVYGSLV-UHFFFAOYSA-N 0 1 391.375 3.189 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1c(F)cccc1F ZINC000508028255 567723024 /nfs/dbraw/zinc/72/30/24/567723024.db2.gz IKGFEAILHHRKKD-UHFFFAOYSA-N 0 1 388.823 3.234 20 0 GGADMN O=S(=O)(Nc1cc(Cl)ccc1Br)c1cn2c(n1)CCCC2 ZINC000461126886 567722940 /nfs/dbraw/zinc/72/29/40/567722940.db2.gz PUHXSPCBIZSKOJ-UHFFFAOYSA-N 0 1 390.690 3.436 20 0 GGADMN O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000646526094 567723409 /nfs/dbraw/zinc/72/34/09/567723409.db2.gz DUCZOSNDGZNBAM-QMMMGPOBSA-N 0 1 375.738 3.378 20 0 GGADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C1 ZINC000532614625 567724418 /nfs/dbraw/zinc/72/44/18/567724418.db2.gz SBWKAGAPVBVUNU-OAHLLOKOSA-N 0 1 396.329 3.028 20 0 GGADMN CCN1C[C@H](C)N(C(=O)Cc2c[nH]c3cccc(Br)c23)[C@@H](C)C1 ZINC000573599507 567724800 /nfs/dbraw/zinc/72/48/00/567724800.db2.gz KKYUEXFZXFUGQZ-STQMWFEESA-N 0 1 378.314 3.414 20 0 GGADMN Cc1cc([C@@H](NCCN2C(=O)CNC2=O)c2cccc(Cl)c2)c(C)s1 ZINC000573610528 567726226 /nfs/dbraw/zinc/72/62/26/567726226.db2.gz ODQYSLYHSRWMEL-KRWDZBQOSA-N 0 1 377.897 3.249 20 0 GGADMN COC(=O)c1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000508074591 567726247 /nfs/dbraw/zinc/72/62/47/567726247.db2.gz RFJMKZKMQFTMBV-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN COCCc1ccnc(NS(=O)(=O)c2cc(C)c(Br)cc2C)c1 ZINC000508085634 567727591 /nfs/dbraw/zinc/72/75/91/567727591.db2.gz QHAHLHNNQKPAGH-UHFFFAOYSA-N 0 1 399.310 3.451 20 0 GGADMN CC(C)CC[C@H](CO)NCc1c(Br)cncc1Br ZINC000623646705 567728100 /nfs/dbraw/zinc/72/81/00/567728100.db2.gz NJXLWKOMJQEVDU-SNVBAGLBSA-N 0 1 380.124 3.493 20 0 GGADMN CC(C)CC[C@H](CO)NCc1ncc(Br)cc1Br ZINC000623647115 567728171 /nfs/dbraw/zinc/72/81/71/567728171.db2.gz ZCEQBTJHMUSLTK-LLVKDONJSA-N 0 1 380.124 3.493 20 0 GGADMN C[C@@H]1COCCN1CCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000573663665 567728850 /nfs/dbraw/zinc/72/88/50/567728850.db2.gz DEFMSRMFCHRADU-LLVKDONJSA-N 0 1 383.315 3.047 20 0 GGADMN CC[C@H](C)CCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000597978013 567730336 /nfs/dbraw/zinc/73/03/36/567730336.db2.gz NKVVNODZUHSRHX-JTQLQIEISA-N 0 1 398.244 3.299 20 0 GGADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000646576849 567730640 /nfs/dbraw/zinc/73/06/40/567730640.db2.gz UCAQDPUKTNNZAL-MLGOLLRUSA-N 0 1 392.297 3.376 20 0 GGADMN O=S(=O)(N[C@]1(C(F)(F)F)CCOC1)c1c(Cl)ccc2ccccc21 ZINC000508119988 567731899 /nfs/dbraw/zinc/73/18/99/567731899.db2.gz SPAFGWJOJANEKM-CQSZACIVSA-N 0 1 379.787 3.493 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2nn(C)cc2Cl)CC1 ZINC000623709127 567732169 /nfs/dbraw/zinc/73/21/69/567732169.db2.gz HVYOZPMNAXZBCZ-UHFFFAOYSA-N 0 1 382.295 3.121 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(-c2cccc(Br)c2)no1 ZINC000667182126 567733142 /nfs/dbraw/zinc/73/31/42/567733142.db2.gz VETXTVQIXHWETA-ZDUSSCGKSA-N 0 1 376.254 3.071 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(-c2ccc(Br)cc2)no1 ZINC000667182261 567733292 /nfs/dbraw/zinc/73/32/92/567733292.db2.gz YHYPAAKXKHPTIU-ZDUSSCGKSA-N 0 1 376.254 3.071 20 0 GGADMN CC[C@H](NS(=O)(=O)c1csnc1C(=O)OC)c1ccc(Cl)s1 ZINC000443125212 567733693 /nfs/dbraw/zinc/73/36/93/567733693.db2.gz VILBMFHMPMAMNS-ZETCQYMHSA-N 0 1 380.900 3.074 20 0 GGADMN COC(=O)c1scc(C)c1S(=O)(=O)NC1(C(F)(F)F)CCCCC1 ZINC000443148661 567735031 /nfs/dbraw/zinc/73/50/31/567735031.db2.gz VCZVSHCSRCSWHH-UHFFFAOYSA-N 0 1 385.429 3.387 20 0 GGADMN COc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(Br)c1 ZINC000623737929 567735161 /nfs/dbraw/zinc/73/51/61/567735161.db2.gz RWOVJVWBRKQBLW-WBVHZDCISA-N 0 1 379.254 3.178 20 0 GGADMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000573796574 567736194 /nfs/dbraw/zinc/73/61/94/567736194.db2.gz MMNRNGNMYNRSSJ-GXTWGEPZSA-N 0 1 392.301 3.087 20 0 GGADMN O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1C[C@H](CO)c2ccccc21 ZINC000554566482 567736305 /nfs/dbraw/zinc/73/63/05/567736305.db2.gz IEVFZMUZICXPKF-LLVKDONJSA-N 0 1 399.244 3.027 20 0 GGADMN CN(CCCN(C)S(=O)(=O)c1nc2ccccc2s1)Cc1ccco1 ZINC000573798277 567736367 /nfs/dbraw/zinc/73/63/67/567736367.db2.gz LYRGOXQTILOMTQ-UHFFFAOYSA-N 0 1 379.507 3.032 20 0 GGADMN CC(C)N1Cc2cccc(NS(=O)(=O)c3cncc(Br)c3)c2C1 ZINC000461432079 567736680 /nfs/dbraw/zinc/73/66/80/567736680.db2.gz SYQQSLQUVLECTE-UHFFFAOYSA-N 0 1 396.310 3.369 20 0 GGADMN COc1ccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)c(Cl)c1 ZINC000461427785 567736837 /nfs/dbraw/zinc/73/68/37/567736837.db2.gz HPGGZZSAJCDIHV-UHFFFAOYSA-N 0 1 380.897 3.178 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)cc(C)c1Cl ZINC000443162163 567737410 /nfs/dbraw/zinc/73/74/10/567737410.db2.gz YCOLJGXDQFFEPD-AWEZNQCLSA-N 0 1 379.913 3.376 20 0 GGADMN O=C(NCc1cccc(Cl)c1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000554604183 567738372 /nfs/dbraw/zinc/73/83/72/567738372.db2.gz GDJYTNJWLCLVDE-AWEZNQCLSA-N 0 1 386.323 3.247 20 0 GGADMN FC(F)(F)CN1CC[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000532844215 567738643 /nfs/dbraw/zinc/73/86/43/567738643.db2.gz MZBBZBKHVWXWEO-JTQLQIEISA-N 0 1 394.228 3.300 20 0 GGADMN Brc1ccc(-c2nccc(CN3CCC[C@H](n4ccnn4)C3)n2)cc1 ZINC000573838818 567739161 /nfs/dbraw/zinc/73/91/61/567739161.db2.gz SABIHRRTOYBGBM-KRWDZBQOSA-N 0 1 399.296 3.335 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cncc(F)c1 ZINC000508232381 567739206 /nfs/dbraw/zinc/73/92/06/567739206.db2.gz TWOWWSYEUXGGDK-UHFFFAOYSA-N 0 1 379.196 3.115 20 0 GGADMN O=S(=O)(Nc1ncc(Br)cc1Br)c1ccoc1 ZINC000508232333 567739393 /nfs/dbraw/zinc/73/93/93/567739393.db2.gz SYOYTJGYRFYGNN-UHFFFAOYSA-N 0 1 382.033 3.000 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000532881193 567740853 /nfs/dbraw/zinc/74/08/53/567740853.db2.gz CGKRGVAOWFGHIB-SECBINFHSA-N 0 1 386.271 3.247 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000532881193 567740855 /nfs/dbraw/zinc/74/08/55/567740855.db2.gz CGKRGVAOWFGHIB-SECBINFHSA-N 0 1 386.271 3.247 20 0 GGADMN Oc1ccc(Br)c(CNCCNc2ccc(-c3ccccc3)nn2)c1 ZINC000532886378 567741886 /nfs/dbraw/zinc/74/18/86/567741886.db2.gz XUNDVEONSVQNDF-UHFFFAOYSA-N 0 1 399.292 3.235 20 0 GGADMN O=S(=O)(CCN[C@H]1CCc2cc(F)c(Cl)cc21)NCc1ccccc1 ZINC000623874517 567742219 /nfs/dbraw/zinc/74/22/19/567742219.db2.gz KNNXCRIFRVXCJP-SFHVURJKSA-N 0 1 382.888 3.176 20 0 GGADMN O=C(CN1CCC[C@H]1c1cccs1)N1CCN(Cc2ccsc2)CC1 ZINC000532902176 567742961 /nfs/dbraw/zinc/74/29/61/567742961.db2.gz YKRJHCPELGFZFP-KRWDZBQOSA-N 0 1 375.563 3.291 20 0 GGADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)CN1Cc1ccccc1 ZINC000554702348 567743048 /nfs/dbraw/zinc/74/30/48/567743048.db2.gz ZCVROYSOYXCXON-HNAYVOBHSA-N 0 1 378.925 3.422 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cc3cc(F)ccc3o2)c(C)s1 ZINC000532932091 567743810 /nfs/dbraw/zinc/74/38/10/567743810.db2.gz ANIUWAQEJDWPMI-UHFFFAOYSA-N 0 1 382.482 3.318 20 0 GGADMN CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000573909368 567744145 /nfs/dbraw/zinc/74/41/45/567744145.db2.gz DQAVNGITWWRGQH-AWEZNQCLSA-N 0 1 392.297 3.333 20 0 GGADMN CC[C@H]1Cc2c(Br)cccc2CN1CCC(=O)Nc1cc(C)on1 ZINC000573909368 567744152 /nfs/dbraw/zinc/74/41/52/567744152.db2.gz DQAVNGITWWRGQH-AWEZNQCLSA-N 0 1 392.297 3.333 20 0 GGADMN Cc1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)s1 ZINC000532953581 567744457 /nfs/dbraw/zinc/74/44/57/567744457.db2.gz SHJDZUFNSKERAR-UHFFFAOYSA-N 0 1 378.295 3.459 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(Br)c1O ZINC000573921995 567745315 /nfs/dbraw/zinc/74/53/15/567745315.db2.gz FUNPIVJVTVDCFO-IAQYHMDHSA-N 0 1 377.238 3.200 20 0 GGADMN CC(C)[C@@H]1CN(Cc2cc(=O)n3cc(Br)ccc3n2)CCS1 ZINC000532983392 567745809 /nfs/dbraw/zinc/74/58/09/567745809.db2.gz GJNWFTMTXWKVOJ-AWEZNQCLSA-N 0 1 382.327 3.030 20 0 GGADMN CN(CCCn1c(=O)[nH]c2ccccc21)Cc1cc(Br)cn1C ZINC000533020357 567746781 /nfs/dbraw/zinc/74/67/81/567746781.db2.gz PGRNVMMWVWHVQI-UHFFFAOYSA-N 0 1 377.286 3.365 20 0 GGADMN COc1cccc(CNC(=O)CN[C@H](C)c2ccc(Br)s2)c1 ZINC000443327872 567748016 /nfs/dbraw/zinc/74/80/16/567748016.db2.gz OFMWFXLHUPOUDX-LLVKDONJSA-N 0 1 383.311 3.486 20 0 GGADMN CCN(C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1)S(C)(=O)=O ZINC000533062502 567748831 /nfs/dbraw/zinc/74/88/31/567748831.db2.gz KVSNGIXEQPXAEM-UHFFFAOYSA-N 0 1 395.352 3.118 20 0 GGADMN C[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)c1 ZINC000461791329 567748878 /nfs/dbraw/zinc/74/88/78/567748878.db2.gz NGZUXDSMTLRMII-QLFBSQMISA-N 0 1 383.330 3.168 20 0 GGADMN CC(=O)Nc1ccccc1CNCC(=O)Nc1ccc(Br)c(C)c1 ZINC000443334409 567749127 /nfs/dbraw/zinc/74/91/27/567749127.db2.gz QFIGOLFKEIODIH-UHFFFAOYSA-N 0 1 390.281 3.444 20 0 GGADMN CC[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000598232917 567749175 /nfs/dbraw/zinc/74/91/75/567749175.db2.gz JRBMJMORJNGQIX-CYBMUJFWSA-N 0 1 396.228 3.051 20 0 GGADMN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000443333749 567749325 /nfs/dbraw/zinc/74/93/25/567749325.db2.gz PEVPMMHFKBTHJF-UHIISALHSA-N 0 1 376.831 3.361 20 0 GGADMN C[C@@H](NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(Br)s1 ZINC000443337817 567749731 /nfs/dbraw/zinc/74/97/31/567749731.db2.gz UIESCLUQESIEBF-JHJVBQTASA-N 0 1 387.343 3.331 20 0 GGADMN COC(=O)c1ncc(NCc2nc3c(s2)CN(C(C)C)CC3)cc1Cl ZINC000508459867 567749988 /nfs/dbraw/zinc/74/99/88/567749988.db2.gz YAPIBEMWHOZQHP-UHFFFAOYSA-N 0 1 380.901 3.357 20 0 GGADMN COc1ccc(Br)cc1CN(C)C[C@@H](O)COCc1ccco1 ZINC000533079892 567751078 /nfs/dbraw/zinc/75/10/78/567751078.db2.gz KOHCFBPEKAXRAS-OAHLLOKOSA-N 0 1 384.270 3.060 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000508491079 567751242 /nfs/dbraw/zinc/75/12/42/567751242.db2.gz UCVRSZSQKROVOX-MRXNPFEDSA-N 0 1 377.286 3.081 20 0 GGADMN C[C@@H](C(=O)N1CCC(Oc2cccc(Br)c2)CC1)N1CC(C)C1 ZINC000646957837 567752280 /nfs/dbraw/zinc/75/22/80/567752280.db2.gz OBVMMPIEHNOCDZ-AWEZNQCLSA-N 0 1 381.314 3.159 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1n[nH]nc1-c1ccccc1 ZINC000554857413 567752872 /nfs/dbraw/zinc/75/28/72/567752872.db2.gz CBLWKAPJRMGPDF-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN C[C@@H]1CCCN1S(=O)(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000574056742 567753152 /nfs/dbraw/zinc/75/31/52/567753152.db2.gz HICVDAVJJDYLPH-WBMJQRKESA-N 0 1 382.917 3.472 20 0 GGADMN C[C@@H]1CCCN1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000574056741 567753694 /nfs/dbraw/zinc/75/36/94/567753694.db2.gz HICVDAVJJDYLPH-MLGOLLRUSA-N 0 1 382.917 3.472 20 0 GGADMN COc1cc(CN(C)CCn2cc(Br)cn2)cc(Cl)c1OC ZINC000554890045 567754121 /nfs/dbraw/zinc/75/41/21/567754121.db2.gz SZXVBLUWTLGYOO-UHFFFAOYSA-N 0 1 388.693 3.448 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)o1 ZINC000533167722 567754795 /nfs/dbraw/zinc/75/47/95/567754795.db2.gz ZSEJNGGUMBRYJF-UHFFFAOYSA-N 0 1 395.767 3.430 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1cc(I)ccc1Cl ZINC000461925223 567755353 /nfs/dbraw/zinc/75/53/53/567755353.db2.gz BTURMOHPBVZYFL-UHFFFAOYSA-N 0 1 390.612 3.298 20 0 GGADMN C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H](C)C1 ZINC000647032738 567755903 /nfs/dbraw/zinc/75/59/03/567755903.db2.gz GZKARPJCGPSBOW-HWWQOWPSSA-N 0 1 391.313 3.128 20 0 GGADMN C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C[C@@H](C)C1 ZINC000647032739 567756303 /nfs/dbraw/zinc/75/63/03/567756303.db2.gz GZKARPJCGPSBOW-MKBNYLNASA-N 0 1 391.313 3.128 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cncc(Cl)c3)[nH]c2c1 ZINC000533175266 567756617 /nfs/dbraw/zinc/75/66/17/567756617.db2.gz MMZJVFTXTROGAR-INIZCTEOSA-N 0 1 376.869 3.446 20 0 GGADMN CCC[C@@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OCC ZINC000624051247 567756629 /nfs/dbraw/zinc/75/66/29/567756629.db2.gz WXZZPZSJVMZDIT-QWRGUYRKSA-N 0 1 383.341 3.497 20 0 GGADMN Cc1c(Br)cncc1CN(C)C[C@H](O)COCc1ccccc1 ZINC000667554561 567757029 /nfs/dbraw/zinc/75/70/29/567757029.db2.gz ZQRCLQVOQQHGGV-KRWDZBQOSA-N 0 1 379.298 3.162 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000574120434 567757230 /nfs/dbraw/zinc/75/72/30/567757230.db2.gz MOCAEJLOTHFXBJ-WRHMKCCWSA-N 0 1 379.291 3.429 20 0 GGADMN CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1 ZINC000443454516 567758486 /nfs/dbraw/zinc/75/84/86/567758486.db2.gz NUHUCDKTLGLVDS-UHFFFAOYSA-N 0 1 381.500 3.247 20 0 GGADMN COC(=O)C1CCN(C(=O)CNC(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000508624310 567758767 /nfs/dbraw/zinc/75/87/67/567758767.db2.gz YUDQPRVFIMJWKM-UHFFFAOYSA-N 0 1 387.307 3.230 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(Cl)c(F)cc1Cl ZINC000508625788 567758845 /nfs/dbraw/zinc/75/88/45/567758845.db2.gz RCLWUGQEEGIJNQ-LLVKDONJSA-N 0 1 375.271 3.458 20 0 GGADMN O[C@@H](CN=c1[nH]c(C(F)(F)F)cs1)COc1cccc(C(F)(F)F)c1 ZINC000533212415 567759183 /nfs/dbraw/zinc/75/91/83/567759183.db2.gz VADLQXWJMZBJSR-VIFPVBQESA-N 0 1 386.317 3.454 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(SC)s3)C2=O)c1 ZINC000554969751 567759907 /nfs/dbraw/zinc/75/99/07/567759907.db2.gz VUNRAWDVNTVJTR-MRXNPFEDSA-N 0 1 378.519 3.382 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(SC)s3)C2=O)c1 ZINC000554969750 567760066 /nfs/dbraw/zinc/76/00/66/567760066.db2.gz VUNRAWDVNTVJTR-INIZCTEOSA-N 0 1 378.519 3.382 20 0 GGADMN CC(C)c1nc(CNC(=O)NCc2cc(Cl)ccc2Br)n[nH]1 ZINC000574153785 567760222 /nfs/dbraw/zinc/76/02/22/567760222.db2.gz PMKPMKQUPDDOLF-UHFFFAOYSA-N 0 1 386.681 3.343 20 0 GGADMN CC1(C)C[C@@]1(C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000598385505 567760360 /nfs/dbraw/zinc/76/03/60/567760360.db2.gz KBVRUQZJBOGKFS-MRXNPFEDSA-N 0 1 396.228 3.051 20 0 GGADMN CC(C)CC[C@@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000624111312 567760442 /nfs/dbraw/zinc/76/04/42/567760442.db2.gz SBBNABJUMFOUAK-DZGCQCFKSA-N 0 1 390.343 3.054 20 0 GGADMN [O-]c1c(Br)cc(C[N@H+](CCCO)C2CC2)cc1Br ZINC000667630339 567760934 /nfs/dbraw/zinc/76/09/34/567760934.db2.gz AODDJZAYHPLOFB-UHFFFAOYSA-N 0 1 379.092 3.264 20 0 GGADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc(-c2ccccc2)cs1 ZINC000624136536 567761735 /nfs/dbraw/zinc/76/17/35/567761735.db2.gz NBEOYNWVZAGYFP-FVQBIDKESA-N 0 1 379.551 3.321 20 0 GGADMN COC1CCN(C(C)(C)CNC(=O)c2sc(C(F)(F)F)nc2C)CC1 ZINC000462044103 567762181 /nfs/dbraw/zinc/76/21/81/567762181.db2.gz DMLMWZJQOKQPPL-UHFFFAOYSA-N 0 1 379.448 3.090 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)CC2)CCO1 ZINC000462046147 567762563 /nfs/dbraw/zinc/76/25/63/567762563.db2.gz HVFGUNFTPNKGCG-WFASDCNBSA-N 0 1 383.945 3.284 20 0 GGADMN COc1ccc(CNC(=O)c2cn[nH]c2-c2ccccn2)cc1Br ZINC000555018053 567762711 /nfs/dbraw/zinc/76/27/11/567762711.db2.gz CRKOSBVDYXEWMR-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN CCc1nn(C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000647129670 567763107 /nfs/dbraw/zinc/76/31/07/567763107.db2.gz SLFVFVQDDVZBDB-UHFFFAOYSA-N 0 1 383.779 3.335 20 0 GGADMN Brc1ccc(-c2ccnc(NCCN3CCCOCC3)n2)cc1 ZINC000624144985 567763249 /nfs/dbraw/zinc/76/32/49/567763249.db2.gz DWTXZXJQPOSMKN-UHFFFAOYSA-N 0 1 377.286 3.040 20 0 GGADMN CC(C)N(CCN(C)C)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443779380 567776058 /nfs/dbraw/zinc/77/60/58/567776058.db2.gz REGGGCPXQSUCLR-UHFFFAOYSA-N 0 1 383.739 3.063 20 0 GGADMN Fc1ccc(Br)c2nccc(N3CC[C@@H](CN4CCOCC4)C3)c12 ZINC000443506975 567763919 /nfs/dbraw/zinc/76/39/19/567763919.db2.gz FAFJIZBTVQQLGI-ZDUSSCGKSA-N 0 1 394.288 3.295 20 0 GGADMN CN1C(=O)C[C@H](c2nc([C@H]3CCCN3)no2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647146086 567764727 /nfs/dbraw/zinc/76/47/27/567764727.db2.gz MMAWZXTYFDFWDH-ZBINZKHDSA-N 0 1 381.263 3.488 20 0 GGADMN CN1C(=O)C[C@H](c2nc([C@@H]3CCCN3)no2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647146085 567765057 /nfs/dbraw/zinc/76/50/57/567765057.db2.gz MMAWZXTYFDFWDH-XEGUGMAKSA-N 0 1 381.263 3.488 20 0 GGADMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccccc1Sc1ncccn1 ZINC000647137957 567765204 /nfs/dbraw/zinc/76/52/04/567765204.db2.gz QEULNLLJDWJKMT-AWEZNQCLSA-N 0 1 381.523 3.431 20 0 GGADMN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2ncc(Cl)cc2Cl)CC1 ZINC000574236274 567765423 /nfs/dbraw/zinc/76/54/23/567765423.db2.gz SVAOHNDMFCUUQF-GFCCVEGCSA-N 0 1 394.368 3.270 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CCC1)NC(=O)NC1CCCC1 ZINC000533356546 567765818 /nfs/dbraw/zinc/76/58/18/567765818.db2.gz PIOVQYVWPCRFSS-UHFFFAOYSA-N 0 1 394.313 3.186 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647151036 567765945 /nfs/dbraw/zinc/76/59/45/567765945.db2.gz VFGCCILQRGLGQF-KBPBESRZSA-N 0 1 391.269 3.234 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccccc1Br)c1nc([C@H]2CCCN2)no1 ZINC000647155544 567766004 /nfs/dbraw/zinc/76/60/04/567766004.db2.gz AEMINFCGMQAXSN-ZIAGYGMSSA-N 0 1 393.285 3.384 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccccc1Br)c1nc([C@H]2CCCN2)no1 ZINC000647155542 567766274 /nfs/dbraw/zinc/76/62/74/567766274.db2.gz AEMINFCGMQAXSN-KGLIPLIRSA-N 0 1 393.285 3.384 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000647151039 567766610 /nfs/dbraw/zinc/76/66/10/567766610.db2.gz VFGCCILQRGLGQF-ZIAGYGMSSA-N 0 1 391.269 3.234 20 0 GGADMN Cc1cc(NC(=O)CNCc2ccc([S@](C)=O)cc2)ccc1Br ZINC000443553158 567766695 /nfs/dbraw/zinc/76/66/95/567766695.db2.gz XJEGMXCECLCALN-QHCPKHFHSA-N 0 1 395.322 3.223 20 0 GGADMN O=C(c1sc2ccccc2c1Br)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000555070030 567766735 /nfs/dbraw/zinc/76/67/35/567766735.db2.gz KTPAXLSEJJKDPR-VIFPVBQESA-N 0 1 392.282 3.197 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)CCc2cccs2)c1OC(C)C ZINC000574247040 567766948 /nfs/dbraw/zinc/76/69/48/567766948.db2.gz WCHLVEPORFYKMK-UHFFFAOYSA-N 0 1 383.491 3.306 20 0 GGADMN COc1ccc2nc(CN(CCNC(C)=O)C3CCSCC3)sc2c1 ZINC000555073523 567767064 /nfs/dbraw/zinc/76/70/64/567767064.db2.gz ONQOEWWZNKJHEN-UHFFFAOYSA-N 0 1 379.551 3.139 20 0 GGADMN O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443533151 567767043 /nfs/dbraw/zinc/76/70/43/567767043.db2.gz UQOGKZJTVSYERV-LBPRGKRZSA-N 0 1 385.379 3.468 20 0 GGADMN FC(F)Oc1ccc(Br)c(CNCCOC[C@H]2CCOC2)c1 ZINC000647181792 567767323 /nfs/dbraw/zinc/76/73/23/567767323.db2.gz RQTBXXQFYOXAJJ-NSHDSACASA-N 0 1 380.229 3.193 20 0 GGADMN Cc1c(NC(=O)c2cc(Br)cc3nc[nH]c32)cnn1[C@H]1CCOC1 ZINC000574278480 567768499 /nfs/dbraw/zinc/76/84/99/567768499.db2.gz MESVYUXYAYVFEE-NSHDSACASA-N 0 1 390.241 3.044 20 0 GGADMN CO[C@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)C(C)(C)C ZINC000533801884 567787364 /nfs/dbraw/zinc/78/73/64/567787364.db2.gz WZAFJSJQJHUTSB-GFCCVEGCSA-N 0 1 386.258 3.067 20 0 GGADMN CC(C)NC(=O)NC(=O)[C@H](C)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000533428737 567769131 /nfs/dbraw/zinc/76/91/31/567769131.db2.gz BBLUPDJGLNCUTL-ZDUSSCGKSA-N 0 1 396.329 3.035 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000508871191 567770371 /nfs/dbraw/zinc/77/03/71/567770371.db2.gz CECHSRUAJQTZRR-HNNXBMFYSA-N 0 1 383.330 3.456 20 0 GGADMN O=c1[nH]c2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2o1 ZINC000555130184 567770515 /nfs/dbraw/zinc/77/05/15/567770515.db2.gz ZBEZVVCKIOMJFL-UHFFFAOYSA-N 0 1 376.287 3.492 20 0 GGADMN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccsc2)c1 ZINC000462097949 567771051 /nfs/dbraw/zinc/77/10/51/567771051.db2.gz NRHGJRRIMMHYSR-UHFFFAOYSA-N 0 1 376.253 3.098 20 0 GGADMN CCCCNC(=O)NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000533504170 567771821 /nfs/dbraw/zinc/77/18/21/567771821.db2.gz BUHFXOKYYRHDNC-UHFFFAOYSA-N 0 1 382.302 3.044 20 0 GGADMN COC[C@@H](NCc1cc(OC(F)F)ccc1Br)[C@@H]1CCCO1 ZINC000647207290 567771911 /nfs/dbraw/zinc/77/19/11/567771911.db2.gz IEXDZKKDJAMXOE-KGLIPLIRSA-N 0 1 380.229 3.334 20 0 GGADMN COC[C@H](NCc1cc(OC(F)F)ccc1Br)[C@H]1CCCO1 ZINC000647207291 567771928 /nfs/dbraw/zinc/77/19/28/567771928.db2.gz IEXDZKKDJAMXOE-UONOGXRCSA-N 0 1 380.229 3.334 20 0 GGADMN O=S(=O)(CC12CCC(CC1)C2)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000462108504 567773396 /nfs/dbraw/zinc/77/33/96/567773396.db2.gz LTBIIPNAZVIOSE-HFCFLWKCSA-N 0 1 382.595 3.460 20 0 GGADMN CC[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)C(=O)NCc1cccs1 ZINC000647242530 567774123 /nfs/dbraw/zinc/77/41/23/567774123.db2.gz YJEZLTJTJHMUCB-OAHLLOKOSA-N 0 1 380.897 3.357 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1ccc(Br)c(Cl)c1 ZINC000443762364 567774993 /nfs/dbraw/zinc/77/49/93/567774993.db2.gz WCNQRFAFNOJCBR-LBPRGKRZSA-N 0 1 390.690 3.182 20 0 GGADMN CN1CCN(C(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C(C)(C)C1 ZINC000462111299 567775078 /nfs/dbraw/zinc/77/50/78/567775078.db2.gz IRZAPLRDGBVHCJ-VQIMIIECSA-N 0 1 377.326 3.206 20 0 GGADMN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000574378405 567775385 /nfs/dbraw/zinc/77/53/85/567775385.db2.gz RDBDIGBCTVYXJJ-JTQLQIEISA-N 0 1 390.285 3.101 20 0 GGADMN CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2C)C[C@H]1C ZINC000574389004 567775434 /nfs/dbraw/zinc/77/54/34/567775434.db2.gz VGQKJCHZTXOUBW-OLZOCXBDSA-N 0 1 378.318 3.164 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CN1C1CC1 ZINC000443790794 567775864 /nfs/dbraw/zinc/77/58/64/567775864.db2.gz PLISJRDCRSYZAU-ZJUUUORDSA-N 0 1 393.734 3.006 20 0 GGADMN CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2C)C[C@@H]1C ZINC000574389006 567775959 /nfs/dbraw/zinc/77/59/59/567775959.db2.gz VGQKJCHZTXOUBW-STQMWFEESA-N 0 1 378.318 3.164 20 0 GGADMN C[C@H](CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)S(C)(=O)=O ZINC000533588755 567777622 /nfs/dbraw/zinc/77/76/22/567777622.db2.gz ACHSYYLXIITZFP-BXKDBHETSA-N 0 1 393.349 3.081 20 0 GGADMN Cc1cccc(C)c1CS(=O)(=O)NCC1(N2CCSCC2)CCCC1 ZINC000555285291 567777837 /nfs/dbraw/zinc/77/78/37/567777837.db2.gz LTZOIFLNROLERZ-UHFFFAOYSA-N 0 1 382.595 3.084 20 0 GGADMN NS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC000443853760 567778294 /nfs/dbraw/zinc/77/82/94/567778294.db2.gz NONZLEPRGDBOMJ-AWEZNQCLSA-N 0 1 390.452 3.297 20 0 GGADMN Cc1nc(S(=O)(=O)NCc2cccc(Cl)c2)sc1Br ZINC000443901666 567779473 /nfs/dbraw/zinc/77/94/73/567779473.db2.gz JSBKYKHBEOPOAK-UHFFFAOYSA-N 0 1 381.704 3.346 20 0 GGADMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000574470645 567779714 /nfs/dbraw/zinc/77/97/14/567779714.db2.gz ZOUUGZZPOBNEFW-GFCCVEGCSA-N 0 1 395.244 3.284 20 0 GGADMN CC[C@H](C)C[C@@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000647336787 567779700 /nfs/dbraw/zinc/77/97/00/567779700.db2.gz GMYOONKSNBFYQE-CORIIIEPSA-N 0 1 390.343 3.054 20 0 GGADMN O=C1CCCCN1CCCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533640115 567779883 /nfs/dbraw/zinc/77/98/83/567779883.db2.gz LDAHQSWHITULLX-UHFFFAOYSA-N 0 1 382.295 3.066 20 0 GGADMN Cc1ccc([C@H](CNS(=O)(=O)CCc2cccs2)N2CCCC2)cc1 ZINC000443907451 567780379 /nfs/dbraw/zinc/78/03/79/567780379.db2.gz IIYSFWJIMGVRMO-IBGZPJMESA-N 0 1 378.563 3.356 20 0 GGADMN CC(C)(CNS(=O)(=O)CCc1cccs1)N1CCc2ccccc2C1 ZINC000443949952 567781129 /nfs/dbraw/zinc/78/11/29/567781129.db2.gz UKJIVKSUIDFBHB-UHFFFAOYSA-N 0 1 378.563 3.047 20 0 GGADMN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000533689166 567781958 /nfs/dbraw/zinc/78/19/58/567781958.db2.gz DZAKRUKMHRIOQI-UHFFFAOYSA-N 0 1 380.832 3.477 20 0 GGADMN CC1(C(=O)[O-])CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000647374611 567782165 /nfs/dbraw/zinc/78/21/65/567782165.db2.gz HBMBCEQJJGBODG-UHFFFAOYSA-N 0 1 394.269 3.110 20 0 GGADMN Brc1ccc(S[C@@H]2CCN(c3ncnc4[nH]cnc43)C2)cc1 ZINC000624474759 567783112 /nfs/dbraw/zinc/78/31/12/567783112.db2.gz XWWJEEVZQAPNQB-GFCCVEGCSA-N 0 1 376.283 3.486 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1ccc2[nH]nnc2c1 ZINC000533716297 567784175 /nfs/dbraw/zinc/78/41/75/567784175.db2.gz GWHNOJMOGHUZAI-SECBINFHSA-N 0 1 377.217 3.221 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(Cl)c1 ZINC000533709607 567784435 /nfs/dbraw/zinc/78/44/35/567784435.db2.gz GDSBAFSYKRWAIJ-UHFFFAOYSA-N 0 1 382.888 3.422 20 0 GGADMN COc1ccc(CNCc2ccc(C)c(S(C)(=O)=O)c2)cc1Br ZINC000443992436 567784562 /nfs/dbraw/zinc/78/45/62/567784562.db2.gz YKQPFDVOQLMSPK-UHFFFAOYSA-N 0 1 398.322 3.459 20 0 GGADMN O[C@@H](CNCc1ccc2c(n1)CCCC2)COc1ccc(Br)cc1 ZINC000574567209 567785110 /nfs/dbraw/zinc/78/51/10/567785110.db2.gz XWTSLQVGXAREMT-KRWDZBQOSA-N 0 1 391.309 3.252 20 0 GGADMN CCC(CC)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)nc1)c1cccs1 ZINC000624523765 567785101 /nfs/dbraw/zinc/78/51/01/567785101.db2.gz LSNQPARGHHNNGY-MRXNPFEDSA-N 0 1 381.523 3.422 20 0 GGADMN C[C@H](NCCN1CCN(c2ccccc2)CC1)c1ncc(Br)s1 ZINC000533783322 567786435 /nfs/dbraw/zinc/78/64/35/567786435.db2.gz LGLICVSOSQRWRK-AWEZNQCLSA-N 0 1 395.370 3.378 20 0 GGADMN O=S(=O)(NCC1CCSCC1)c1cc(F)c(Br)cc1F ZINC000533800187 567786996 /nfs/dbraw/zinc/78/69/96/567786996.db2.gz FCAFFAWXGABYQO-UHFFFAOYSA-N 0 1 386.283 3.149 20 0 GGADMN OC[C@@H](CC(F)(F)F)NCc1cc(Br)c2c(c1)OCCCO2 ZINC000533802605 567787662 /nfs/dbraw/zinc/78/76/62/567787662.db2.gz GLFXDLPOUBDEMJ-SNVBAGLBSA-N 0 1 384.192 3.013 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000444069502 567789006 /nfs/dbraw/zinc/78/90/06/567789006.db2.gz HXSARFNERYPPGC-WBVHZDCISA-N 0 1 376.547 3.350 20 0 GGADMN COC[C@H](C)OC[C@H](O)CNCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000574631301 567789151 /nfs/dbraw/zinc/78/91/51/567789151.db2.gz DMLLNSDGBCWZDZ-BLLLJJGKSA-N 0 1 384.929 3.274 20 0 GGADMN Cc1cc(C(C)(C)C(=O)NCc2n[nH]c(C3CC3)n2)ccc1Br ZINC000574643356 567789560 /nfs/dbraw/zinc/78/95/60/567789560.db2.gz ADVHUCVFXAQBHH-UHFFFAOYSA-N 0 1 377.286 3.347 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000444075143 567790114 /nfs/dbraw/zinc/79/01/14/567790114.db2.gz UYJXIJAAWJXXIQ-ZDUSSCGKSA-N 0 1 380.407 3.093 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000444075142 567790146 /nfs/dbraw/zinc/79/01/46/567790146.db2.gz UYJXIJAAWJXXIQ-CYBMUJFWSA-N 0 1 380.407 3.093 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000444076358 567790153 /nfs/dbraw/zinc/79/01/53/567790153.db2.gz XYOLKWZNEXPRCU-OAHLLOKOSA-N 0 1 387.343 3.006 20 0 GGADMN COc1cc(NC(=O)N2CCCN(C)CC2)c(Cl)cc1Br ZINC000668035258 567790985 /nfs/dbraw/zinc/79/09/85/567790985.db2.gz HIRAWCQRUYQVDC-UHFFFAOYSA-N 0 1 376.682 3.281 20 0 GGADMN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ncc(CSC)s2)s1 ZINC000555586847 567791174 /nfs/dbraw/zinc/79/11/74/567791174.db2.gz GZGBUKGYMPPBRX-ZJUUUORDSA-N 0 1 385.584 3.173 20 0 GGADMN COc1cc(NC(=O)N[C@H](C)c2n[nH]c(C)n2)c(Cl)cc1Br ZINC000668036464 567791265 /nfs/dbraw/zinc/79/12/65/567791265.db2.gz RPIHHSOHZIKWHT-ZCFIWIBFSA-N 0 1 388.653 3.420 20 0 GGADMN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ncc(CSC)s2)s1 ZINC000555586845 567791396 /nfs/dbraw/zinc/79/13/96/567791396.db2.gz GZGBUKGYMPPBRX-UWVGGRQHSA-N 0 1 385.584 3.173 20 0 GGADMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1c(Br)cncc1Br ZINC000574682412 567791683 /nfs/dbraw/zinc/79/16/83/567791683.db2.gz ODGHVLUDMBPESD-LKFCYVNXSA-N 0 1 389.135 3.179 20 0 GGADMN Cn1cccc1S(=O)(=O)[N-]c1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000574691826 567792749 /nfs/dbraw/zinc/79/27/49/567792749.db2.gz SUORBLSPFBKRQU-UHFFFAOYSA-N 0 1 379.551 3.404 20 0 GGADMN COc1nc(NC2CCN(Cc3ccc(F)cc3)CC2)ncc1Br ZINC000444111689 567792891 /nfs/dbraw/zinc/79/28/91/567792891.db2.gz NVIDNOMPLXOJDO-UHFFFAOYSA-N 0 1 395.276 3.463 20 0 GGADMN Cc1ccc2nc(CNCCCS(=O)(=O)c3ccc(Cl)cc3)cn2c1 ZINC000555643846 567793380 /nfs/dbraw/zinc/79/33/80/567793380.db2.gz JDICMXINGIITTL-UHFFFAOYSA-N 0 1 377.897 3.250 20 0 GGADMN CSc1cc(Br)ccc1CN1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000574724994 567793618 /nfs/dbraw/zinc/79/36/18/567793618.db2.gz BIWXXIAOEHTZBQ-CJNGLKHVSA-N 0 1 385.371 3.466 20 0 GGADMN COC1(CCNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000574735545 567794403 /nfs/dbraw/zinc/79/44/03/567794403.db2.gz APWNHCFSOSXGFZ-UHFFFAOYSA-N 0 1 381.274 3.084 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)OC)cc1Cl ZINC000533954606 567794852 /nfs/dbraw/zinc/79/48/52/567794852.db2.gz ZJUBHFOCZKVCJR-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000574750954 567795459 /nfs/dbraw/zinc/79/54/59/567795459.db2.gz LUXCUHCVUXLAOF-QWRGUYRKSA-N 0 1 381.299 3.064 20 0 GGADMN Nc1ccncc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000444178375 567795433 /nfs/dbraw/zinc/79/54/33/567795433.db2.gz AEEPVQKMQXVWNU-UHFFFAOYSA-N 0 1 379.291 3.195 20 0 GGADMN C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000574750952 567795707 /nfs/dbraw/zinc/79/57/07/567795707.db2.gz LUXCUHCVUXLAOF-GHMZBOCLSA-N 0 1 381.299 3.064 20 0 GGADMN C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ncc(C(=O)[O-])s1 ZINC000647650962 567796069 /nfs/dbraw/zinc/79/60/69/567796069.db2.gz FLMIWMOJPQXPHB-SSDOTTSWSA-N 0 1 385.239 3.183 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1SC)c1cc(C)cc(C)c1 ZINC000444193839 567796273 /nfs/dbraw/zinc/79/62/73/567796273.db2.gz IMJJYBPPBAYUNO-KRWDZBQOSA-N 0 1 379.503 3.218 20 0 GGADMN CN(Cc1c(Cl)cccc1Cl)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000555728687 567796634 /nfs/dbraw/zinc/79/66/34/567796634.db2.gz CCWPXOSUUDRAHH-UHFFFAOYSA-N 0 1 384.288 3.447 20 0 GGADMN CCC[C@H](OCC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000624720808 567797296 /nfs/dbraw/zinc/79/72/96/567797296.db2.gz DIJDCSUUAROOKQ-KRWDZBQOSA-N 0 1 398.345 3.345 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000647706984 567797771 /nfs/dbraw/zinc/79/77/71/567797771.db2.gz UOAHTHLXKMGKKV-UBHSHLNASA-N 0 1 389.348 3.142 20 0 GGADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000647706983 567797825 /nfs/dbraw/zinc/79/78/25/567797825.db2.gz UOAHTHLXKMGKKV-IACUBPJLSA-N 0 1 389.348 3.142 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cn1 ZINC000444236709 567798461 /nfs/dbraw/zinc/79/84/61/567798461.db2.gz DEPSIJVWDBWJTM-UHFFFAOYSA-N 0 1 376.247 3.316 20 0 GGADMN Cc1c(Br)cncc1CN(C)CCn1cc(Br)cn1 ZINC000668177212 567799366 /nfs/dbraw/zinc/79/93/66/567799366.db2.gz RPZLVGSIWMTSBW-UHFFFAOYSA-N 0 1 388.107 3.244 20 0 GGADMN OCc1cn([C@H]2CCCN(Cc3cc4cc(Br)ccc4o3)C2)nn1 ZINC000668194685 567800692 /nfs/dbraw/zinc/80/06/92/567800692.db2.gz MFUTYZANRGORHN-HNNXBMFYSA-N 0 1 391.269 3.116 20 0 GGADMN C[C@H]1CSCCN1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000534139955 567800906 /nfs/dbraw/zinc/80/09/06/567800906.db2.gz SMSATMOZFNKXPO-MAUKXSAKSA-N 0 1 381.973 3.030 20 0 GGADMN C[C@@H]1CSCCN1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000534139956 567801335 /nfs/dbraw/zinc/80/13/35/567801335.db2.gz SMSATMOZFNKXPO-QAPCUYQASA-N 0 1 381.973 3.030 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cc(F)c(Br)cc2C)CC1 ZINC000624832063 567801941 /nfs/dbraw/zinc/80/19/41/567801941.db2.gz OADMOUGKXQHHGV-UHFFFAOYSA-N 0 1 393.322 3.001 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)s2)n[nH]1 ZINC000574891197 567802772 /nfs/dbraw/zinc/80/27/72/567802772.db2.gz MJYHTRAQVWDADY-JGVFFNPUSA-N 0 1 382.433 3.438 20 0 GGADMN CC(C)(C)CC(=O)NCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534205900 567802922 /nfs/dbraw/zinc/80/29/22/567802922.db2.gz GGAGGJYOKYKEGS-UHFFFAOYSA-N 0 1 377.666 3.299 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000668245622 567802988 /nfs/dbraw/zinc/80/29/88/567802988.db2.gz KAJPLYWFTLPGRR-UHFFFAOYSA-N 0 1 381.782 3.082 20 0 GGADMN CC(C)(C)N1C[C@H](C(=O)Nc2cc(Br)cc(Cl)c2O)CC1=O ZINC000534207527 567803503 /nfs/dbraw/zinc/80/35/03/567803503.db2.gz QEBGHUURMPMVSM-MRVPVSSYSA-N 0 1 389.677 3.394 20 0 GGADMN Brc1cnc(N2CC[C@@H](CN3CCOCC3)C2)c2sccc21 ZINC000647869303 567804365 /nfs/dbraw/zinc/80/43/65/567804365.db2.gz FSKOKUXNPAVJPH-LBPRGKRZSA-N 0 1 382.327 3.217 20 0 GGADMN Cc1cc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)c(Cl)cc1F ZINC000534237547 567804398 /nfs/dbraw/zinc/80/43/98/567804398.db2.gz VHFTUYDOOBHRJY-UHFFFAOYSA-N 0 1 388.867 3.467 20 0 GGADMN NC(=O)[C@H](NCCc1ccc(OC(F)F)cc1)c1cccc(Br)c1 ZINC000534260778 567805201 /nfs/dbraw/zinc/80/52/01/567805201.db2.gz WMVQBCBLBDZLMH-OAHLLOKOSA-N 0 1 399.235 3.409 20 0 GGADMN C[C@H](O)C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000668298516 567805906 /nfs/dbraw/zinc/80/59/06/567805906.db2.gz BASAKAUTAHHGPT-QMMMGPOBSA-N 0 1 379.092 3.262 20 0 GGADMN C[C@@H](CNCc1cn(-c2ccccc2Cl)nc1C(C)(C)C)S(C)(=O)=O ZINC000534268921 567805931 /nfs/dbraw/zinc/80/59/31/567805931.db2.gz BCWQSAOKNCUVRI-ZDUSSCGKSA-N 0 1 383.945 3.346 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000534301468 567806396 /nfs/dbraw/zinc/80/63/96/567806396.db2.gz QMWORDPJQLYRAG-JTQLQIEISA-N 0 1 394.269 3.475 20 0 GGADMN CC(C)[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H](O)C(F)(F)F ZINC000647931539 567806903 /nfs/dbraw/zinc/80/69/03/567806903.db2.gz HXLJEMQMJSRCFS-QEJZJMRPSA-N 0 1 378.822 3.373 20 0 GGADMN CC(C)[C@H](N[C@H](C)C(=O)Nc1nc2ccccc2s1)[C@H](O)C(F)(F)F ZINC000647931492 567806962 /nfs/dbraw/zinc/80/69/62/567806962.db2.gz ADVKBTOYMDGKNX-ICCXJUOJSA-N 0 1 375.416 3.161 20 0 GGADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444542513 567807040 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GGADMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000006729900 570555836 /nfs/dbraw/zinc/55/58/36/570555836.db2.gz YINAHAWEGFHDQM-NSHDSACASA-N 0 1 394.880 3.447 20 0 GGADMN CN(CCCN(C)[C@H]1CCN(c2ccccc2F)C1=O)C(=O)OC(C)(C)C ZINC000225493951 570579781 /nfs/dbraw/zinc/57/97/81/570579781.db2.gz XZUDXJVPBWUEBY-KRWDZBQOSA-N 0 1 379.476 3.120 20 0 GGADMN CCc1ccc(-c2n[nH]c(SCC(=O)NC(=O)NCc3ccccc3)n2)cc1 ZINC000006790261 570596001 /nfs/dbraw/zinc/59/60/01/570596001.db2.gz XDHJFAGCGYILCG-UHFFFAOYSA-N 0 1 395.488 3.152 20 0 GGADMN O=C([O-])CC[NH+]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000070915462 570596504 /nfs/dbraw/zinc/59/65/04/570596504.db2.gz XFUNXQDLERJOBY-UHFFFAOYSA-N 0 1 380.444 3.028 20 0 GGADMN CC[C@@H](C(=O)NCc1ccccc1CN1CCOCC1)N(C)Cc1ccccc1 ZINC000225798116 570618008 /nfs/dbraw/zinc/61/80/08/570618008.db2.gz NCNNRGPRGJDVBS-QHCPKHFHSA-N 0 1 395.547 3.046 20 0 GGADMN Cc1cc(=O)c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cn1C1CC1 ZINC000225804652 570619481 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COc1ccc(NC(C)=O)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000058099536 570709328 /nfs/dbraw/zinc/70/93/28/570709328.db2.gz FOBBMIHPJLICFC-HNNXBMFYSA-N 0 1 376.482 3.140 20 0 GGADMN COC(=O)c1ccoc1CSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000058210036 570720039 /nfs/dbraw/zinc/72/00/39/570720039.db2.gz KILHZTKWJFBFMX-UHFFFAOYSA-N 0 1 375.406 3.161 20 0 GGADMN CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1nc(-c2ccncc2)no1 ZINC000058245987 570722773 /nfs/dbraw/zinc/72/27/73/570722773.db2.gz HHNHKHMQLVTIJU-HNNXBMFYSA-N 0 1 394.403 3.085 20 0 GGADMN CC(C)N(CC(=O)NC1CCCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000058357275 570728827 /nfs/dbraw/zinc/72/88/27/570728827.db2.gz UADUZUFDAUIFSS-HXUWFJFHSA-N 0 1 384.520 3.349 20 0 GGADMN CN(C)[C@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC000032729206 570776928 /nfs/dbraw/zinc/77/69/28/570776928.db2.gz YOQQHVYFFRCRJJ-GOSISDBHSA-N 0 1 393.503 3.192 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)CC1 ZINC000032741347 570786970 /nfs/dbraw/zinc/78/69/70/570786970.db2.gz 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Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007374074 570830661 /nfs/dbraw/zinc/83/06/61/570830661.db2.gz OAYOEBYIXLERTA-BEFAXECRSA-N 0 1 378.444 3.270 20 0 GGADMN O=C(c1ccc(C2SCCS2)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000032809837 570832423 /nfs/dbraw/zinc/83/24/23/570832423.db2.gz PRJRFPSRVUHIAF-GOSISDBHSA-N 0 1 392.590 3.492 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)cc1OC ZINC000012548526 570850822 /nfs/dbraw/zinc/85/08/22/570850822.db2.gz YGAFHBNNFGYAFW-UHFFFAOYSA-N 0 1 391.367 3.446 20 0 GGADMN CC[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CCN1Cc1ccccc1 ZINC000170595156 570852779 /nfs/dbraw/zinc/85/27/79/570852779.db2.gz ZFDSAFKXVGDZFP-GOSISDBHSA-N 0 1 384.524 3.423 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)cn2)CC1 ZINC000012574307 570874757 /nfs/dbraw/zinc/87/47/57/570874757.db2.gz SQMXHIKBEKHUGF-UHFFFAOYSA-N 0 1 396.882 3.129 20 0 GGADMN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000105882672 570932951 /nfs/dbraw/zinc/93/29/51/570932951.db2.gz PBMQNOFSOIUIAP-UYAOXDASSA-N 0 1 388.508 3.024 20 0 GGADMN C[C@H]1CCCN(C(=O)C2CCN(Cn3cnc4cc(F)c(F)cc43)CC2)C1 ZINC000054471798 570953803 /nfs/dbraw/zinc/95/38/03/570953803.db2.gz UOFGAGZNWQYABQ-AWEZNQCLSA-N 0 1 376.451 3.243 20 0 GGADMN COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000107543710 570974362 /nfs/dbraw/zinc/97/43/62/570974362.db2.gz JFNOPCVAKACXJQ-FZKQIMNGSA-N 0 1 377.847 3.306 20 0 GGADMN COc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000107543710 570974365 /nfs/dbraw/zinc/97/43/65/570974365.db2.gz JFNOPCVAKACXJQ-FZKQIMNGSA-N 0 1 377.847 3.306 20 0 GGADMN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000252506025 570977824 /nfs/dbraw/zinc/97/78/24/570977824.db2.gz VWUICNZTRLGNLG-UHFFFAOYSA-N 0 1 380.441 3.117 20 0 GGADMN COc1cc(-c2noc(CN(CCO)C3CCCCC3)n2)ccc1OC(F)F ZINC000083923566 570980071 /nfs/dbraw/zinc/98/00/71/570980071.db2.gz NMUPTZPLVIMROR-UHFFFAOYSA-N 0 1 397.422 3.474 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000083982630 570987140 /nfs/dbraw/zinc/98/71/40/570987140.db2.gz SUXQXDPQEBBJNZ-UHFFFAOYSA-N 0 1 398.440 3.454 20 0 GGADMN COc1ccc(C)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000007667707 571013428 /nfs/dbraw/zinc/01/34/28/571013428.db2.gz VPZRGOYQKYEFRK-MJGOQNOKSA-N 0 1 386.517 3.309 20 0 GGADMN COc1ccc(C)cc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000007667706 571013456 /nfs/dbraw/zinc/01/34/56/571013456.db2.gz VPZRGOYQKYEFRK-HKUYNNGSSA-N 0 1 386.517 3.309 20 0 GGADMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)CCC2 ZINC000007735793 571027725 /nfs/dbraw/zinc/02/77/25/571027725.db2.gz MXZPVMKVGYLWHD-UHFFFAOYSA-N 0 1 394.456 3.018 20 0 GGADMN COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012774887 571028308 /nfs/dbraw/zinc/02/83/08/571028308.db2.gz FFMANMAVALYHHZ-IEBWSBKVSA-N 0 1 395.503 3.051 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000007774486 571035352 /nfs/dbraw/zinc/03/53/52/571035352.db2.gz XTJXYDYYQNCBJN-UHFFFAOYSA-N 0 1 396.472 3.114 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000736899508 598863483 /nfs/dbraw/zinc/86/34/83/598863483.db2.gz AZWWVIMSJBFWFP-IXDGSTSKSA-N 0 1 395.438 3.098 20 0 GGADMN CC[NH+](CC)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736534433 598954394 /nfs/dbraw/zinc/95/43/94/598954394.db2.gz OHHBTGMIYQVZBY-GOSISDBHSA-N 0 1 388.479 3.305 20 0 GGADMN CC[NH+](CC)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736534433 598954395 /nfs/dbraw/zinc/95/43/95/598954395.db2.gz OHHBTGMIYQVZBY-GOSISDBHSA-N 0 1 388.479 3.305 20 0 GGADMN Cc1ccc(-c2nnc(Sc3c4ccccc4nnc3-c3nn[nH]n3)o2)cc1 ZINC000737287552 598955613 /nfs/dbraw/zinc/95/56/13/598955613.db2.gz DOVMWIZKYNUAFQ-UHFFFAOYSA-N 0 1 388.416 3.320 20 0 GGADMN Fc1ccc(-c2nnc(Sc3c4ccccc4nnc3-c3nn[nH]n3)o2)cc1 ZINC000737653970 598957136 /nfs/dbraw/zinc/95/71/36/598957136.db2.gz UVKFIEQBVRYHHT-UHFFFAOYSA-N 0 1 392.379 3.150 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821614430 599080158 /nfs/dbraw/zinc/08/01/58/599080158.db2.gz FUCURZLBDQFGQD-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821614430 599080162 /nfs/dbraw/zinc/08/01/62/599080162.db2.gz FUCURZLBDQFGQD-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821614430 599080164 /nfs/dbraw/zinc/08/01/64/599080164.db2.gz FUCURZLBDQFGQD-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821614430 599080168 /nfs/dbraw/zinc/08/01/68/599080168.db2.gz FUCURZLBDQFGQD-QGZVFWFLSA-N 0 1 385.475 3.126 20 0 GGADMN C[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727006 599109903 /nfs/dbraw/zinc/10/99/03/599109903.db2.gz FKLFFBPKVASQEH-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820727006 599109905 /nfs/dbraw/zinc/10/99/05/599109905.db2.gz FKLFFBPKVASQEH-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727006 599109908 /nfs/dbraw/zinc/10/99/08/599109908.db2.gz FKLFFBPKVASQEH-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820727006 599109911 /nfs/dbraw/zinc/10/99/11/599109911.db2.gz FKLFFBPKVASQEH-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN Fc1cc(F)cc(-c2n[nH]c(SCc3ccc(-c4nn[nH]n4)cc3F)n2)c1 ZINC000737653205 599174065 /nfs/dbraw/zinc/17/40/65/599174065.db2.gz QOBNTEPHKGGWJZ-UHFFFAOYSA-N 0 1 389.366 3.361 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818113191 596914609 /nfs/dbraw/zinc/91/46/09/596914609.db2.gz MMFKCGDMOPBVNE-UZLBHIALSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113982 596914666 /nfs/dbraw/zinc/91/46/66/596914666.db2.gz VUAXBSSVLHXUDX-VQIMIIECSA-N 0 1 381.476 3.346 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113980 596914731 /nfs/dbraw/zinc/91/47/31/596914731.db2.gz VUAXBSSVLHXUDX-LPHOPBHVSA-N 0 1 381.476 3.346 20 0 GGADMN CC1CCN(c2nn(C[N@@H+]3CCC[C@@H](CC(=O)[O-])C3)c(=S)n2C2CC2)CC1 ZINC000818107049 597042183 /nfs/dbraw/zinc/04/21/83/597042183.db2.gz SMFRQRYPYSEUOW-HNNXBMFYSA-N 0 1 393.557 3.129 20 0 GGADMN CC1CCN(c2nn(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)c(=S)n2C2CC2)CC1 ZINC000818107049 597042188 /nfs/dbraw/zinc/04/21/88/597042188.db2.gz SMFRQRYPYSEUOW-HNNXBMFYSA-N 0 1 393.557 3.129 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cs1 ZINC000533203154 597071861 /nfs/dbraw/zinc/07/18/61/597071861.db2.gz NRMLNFHHHMEFMR-OAHLLOKOSA-N 0 1 387.505 3.319 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cs1 ZINC000533203154 597071864 /nfs/dbraw/zinc/07/18/64/597071864.db2.gz NRMLNFHHHMEFMR-OAHLLOKOSA-N 0 1 387.505 3.319 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000320612048 597074970 /nfs/dbraw/zinc/07/49/70/597074970.db2.gz CSJQSPZQWSXGPO-LLVKDONJSA-N 0 1 380.242 3.186 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000532881048 597085036 /nfs/dbraw/zinc/08/50/36/597085036.db2.gz JGOSPKIBQOEPBP-HNNXBMFYSA-N 0 1 387.505 3.319 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000532881048 597085041 /nfs/dbraw/zinc/08/50/41/597085041.db2.gz JGOSPKIBQOEPBP-HNNXBMFYSA-N 0 1 387.505 3.319 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000738623214 597189044 /nfs/dbraw/zinc/18/90/44/597189044.db2.gz DGYMXVSSFLTXCI-UHFFFAOYSA-N 0 1 385.439 3.193 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000738623214 597189047 /nfs/dbraw/zinc/18/90/47/597189047.db2.gz DGYMXVSSFLTXCI-UHFFFAOYSA-N 0 1 385.439 3.193 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000738626411 597191095 /nfs/dbraw/zinc/19/10/95/597191095.db2.gz VCNDOIYKNDOCTD-LJQANCHMSA-N 0 1 381.476 3.347 20 0 GGADMN O=C([O-])Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000738626391 597194971 /nfs/dbraw/zinc/19/49/71/597194971.db2.gz UBTQNWARVUYYKR-INIZCTEOSA-N 0 1 387.505 3.409 20 0 GGADMN C[C@H]1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000818101771 597323191 /nfs/dbraw/zinc/32/31/91/597323191.db2.gz IBSJDOOBTWOYMC-KRWDZBQOSA-N 0 1 381.476 3.442 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818413498 597324776 /nfs/dbraw/zinc/32/47/76/597324776.db2.gz ZHTMFVDLDFIBPV-SFHVURJKSA-N 0 1 381.476 3.300 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000819618006 597330457 /nfs/dbraw/zinc/33/04/57/597330457.db2.gz JZMWTSHMJAZPKQ-HNNXBMFYSA-N 0 1 387.505 3.409 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000820025154 597712482 /nfs/dbraw/zinc/71/24/82/597712482.db2.gz XPVOMJJAQIZVRI-MAUKXSAKSA-N 0 1 377.485 3.061 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C)C(=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000820025153 597712598 /nfs/dbraw/zinc/71/25/98/597712598.db2.gz XPVOMJJAQIZVRI-CRAIPNDOSA-N 0 1 377.485 3.061 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820246394 598084125 /nfs/dbraw/zinc/08/41/25/598084125.db2.gz WTCSMEVMOJHCDW-IAGOWNOFSA-N 0 1 381.476 3.440 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000635526403 598184052 /nfs/dbraw/zinc/18/40/52/598184052.db2.gz QUPIYOAHVPWMNB-IBGZPJMESA-N 0 1 381.476 3.048 20 0 GGADMN C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129671 598212282 /nfs/dbraw/zinc/21/22/82/598212282.db2.gz OAGFDMUWQFMGJF-QFBILLFUSA-N 0 1 381.476 3.346 20 0 GGADMN CC1(C)CO[C@H](c2ccccc2)CN1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736214668 598462509 /nfs/dbraw/zinc/46/25/09/598462509.db2.gz SZLQXBZYSVSMSV-FQEVSTJZSA-N 0 1 393.491 3.488 20 0 GGADMN O=c1c(-c2nn[nH]n2)cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000738370290 598504881 /nfs/dbraw/zinc/50/48/81/598504881.db2.gz AOXWPMSJSAXPNQ-UHFFFAOYSA-N 0 1 381.823 3.304 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)cc1-c1nn[nH]n1 ZINC000737186515 598530438 /nfs/dbraw/zinc/53/04/38/598530438.db2.gz IXNXPONURMOPGS-RISCZKNCSA-N 0 1 390.513 3.024 20 0 GGADMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737954017 598569675 /nfs/dbraw/zinc/56/96/75/598569675.db2.gz RDHIBKVXGDBVHY-UHFFFAOYSA-N 0 1 383.481 3.083 20 0 GGADMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737954017 598569676 /nfs/dbraw/zinc/56/96/76/598569676.db2.gz RDHIBKVXGDBVHY-UHFFFAOYSA-N 0 1 383.481 3.083 20 0 GGADMN Cc1nc(-c2nn[nH]n2)c(NNC(=S)Nc2c(Cl)ccc(C)c2Cl)o1 ZINC000737467765 598645971 /nfs/dbraw/zinc/64/59/71/598645971.db2.gz SQKFGCLWRMWEDV-UHFFFAOYSA-N 0 1 399.267 3.092 20 0 GGADMN CN(Cc1ccc(Br)s1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736817484 598678202 /nfs/dbraw/zinc/67/82/02/598678202.db2.gz ZRVNGAGGIXEDIW-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN O=C(CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737837333 598708686 /nfs/dbraw/zinc/70/86/86/598708686.db2.gz FLZMZVFZNZZQBU-INIZCTEOSA-N 0 1 396.882 3.338 20 0 GGADMN COc1ccc([C@H]2CCCN2Cc2ccc(F)cc2-c2nn[nH]n2)cc1OC ZINC000737076193 598716889 /nfs/dbraw/zinc/71/68/89/598716889.db2.gz MMIAFMHOCYESIM-QGZVFWFLSA-N 0 1 383.427 3.360 20 0 GGADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc(Cl)cc3cccnc32)c2ccccc12 ZINC000738372147 598720182 /nfs/dbraw/zinc/72/01/82/598720182.db2.gz ORPJYILQBSOPSI-UHFFFAOYSA-N 0 1 388.818 3.432 20 0 GGADMN CCOc1ccccc1Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736654738 598720861 /nfs/dbraw/zinc/72/08/61/598720861.db2.gz XAZJFBKJWBTYJL-UHFFFAOYSA-N 0 1 381.823 3.282 20 0 GGADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccc(-c2nn[nH]n2)cc1F ZINC000737196277 598724261 /nfs/dbraw/zinc/72/42/61/598724261.db2.gz CVKWZJQWWZCPHE-UHFFFAOYSA-N 0 1 378.367 3.061 20 0 GGADMN Clc1ccc(NCC2([NH+]3CCSCC3)CCCCC2)nc1-c1nnn[n-]1 ZINC000737576233 598756575 /nfs/dbraw/zinc/75/65/75/598756575.db2.gz ZHFOEFGTEYRNTH-UHFFFAOYSA-N 0 1 393.948 3.079 20 0 GGADMN Clc1ccc(NCC2([NH+]3CCSCC3)CCCCC2)nc1-c1nn[n-]n1 ZINC000737576233 598756577 /nfs/dbraw/zinc/75/65/77/598756577.db2.gz ZHFOEFGTEYRNTH-UHFFFAOYSA-N 0 1 393.948 3.079 20 0 GGADMN COC(=O)c1cc(F)ccc1CN(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000736951216 598760889 /nfs/dbraw/zinc/76/08/89/598760889.db2.gz PBQNLTCKGHDVKA-UHFFFAOYSA-N 0 1 397.454 3.451 20 0 GGADMN CN(C)[C@H](CNc1c(-c2nn[nH]n2)cnc2c(F)cc(F)cc21)c1ccco1 ZINC000736757779 598769756 /nfs/dbraw/zinc/76/97/56/598769756.db2.gz CXNVSHHWNGTVBN-CQSZACIVSA-N 0 1 385.378 3.001 20 0 GGADMN CCCC[C@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438573 598786516 /nfs/dbraw/zinc/78/65/16/598786516.db2.gz NZJNCBORFAMTAK-CJNGLKHVSA-N 0 1 383.456 3.011 20 0 GGADMN C[C@H](c1cc(F)ccc1F)N(C)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820556709 599302684 /nfs/dbraw/zinc/30/26/84/599302684.db2.gz VQTOPFXDSJNKKO-GFCCVEGCSA-N 0 1 386.406 3.167 20 0 GGADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000736196577 599307662 /nfs/dbraw/zinc/30/76/62/599307662.db2.gz KGUPDHTWAPYBNT-HNNXBMFYSA-N 0 1 382.899 3.399 20 0 GGADMN COc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)cc1-c1nn[nH]n1 ZINC000821806071 599398847 /nfs/dbraw/zinc/39/88/47/599398847.db2.gz ZOWSDNWSDLZSFX-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN C[C@@H](NCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC000820438131 599445428 /nfs/dbraw/zinc/44/54/28/599445428.db2.gz JAUPOYZQYZZVOD-OAHLLOKOSA-N 0 1 389.463 3.030 20 0 GGADMN CCOc1cc(CNCc2cc(-c3nn[nH]n3)ccc2F)ccc1OC(F)F ZINC000821394121 599456261 /nfs/dbraw/zinc/45/62/61/599456261.db2.gz GYEMKGUGCGQLJU-UHFFFAOYSA-N 0 1 393.369 3.296 20 0 GGADMN CCc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000736702837 599558958 /nfs/dbraw/zinc/55/89/58/599558958.db2.gz WSVKAEWIUYWIGP-UHFFFAOYSA-N 0 1 397.382 3.249 20 0 GGADMN CN(CCc1ccc(Cl)cc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821605073 599576913 /nfs/dbraw/zinc/57/69/13/599576913.db2.gz UGNPXINKZFCGTR-UHFFFAOYSA-N 0 1 395.854 3.245 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737419517 599584301 /nfs/dbraw/zinc/58/43/01/599584301.db2.gz DEBODMBACVOWEQ-KBPBESRZSA-N 0 1 382.493 3.053 20 0 GGADMN O=C(CC[N@H+](CCc1ccc(F)cc1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822964984 599639447 /nfs/dbraw/zinc/63/94/47/599639447.db2.gz VUMUKCVSKAXTGK-UHFFFAOYSA-N 0 1 394.454 3.042 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820913871 599641260 /nfs/dbraw/zinc/64/12/60/599641260.db2.gz LGBBRMARPUHVOM-OAHLLOKOSA-N 0 1 384.509 3.128 20 0 GGADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000820684478 599699655 /nfs/dbraw/zinc/69/96/55/599699655.db2.gz QEUISUMDLSGPGD-GJZGRUSLSA-N 0 1 392.463 3.470 20 0 GGADMN CCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000590437726 599702524 /nfs/dbraw/zinc/70/25/24/599702524.db2.gz IZTZGVKQLDJQGM-LJQANCHMSA-N 0 1 381.476 3.297 20 0 GGADMN Cc1[nH]c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738159526 599704269 /nfs/dbraw/zinc/70/42/69/599704269.db2.gz LTISCCOCYWUXTD-UHFFFAOYSA-N 0 1 383.492 3.110 20 0 GGADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000739473912 599711381 /nfs/dbraw/zinc/71/13/81/599711381.db2.gz UCOQGPUXDOOHFL-CXAGYDPISA-N 0 1 391.830 3.351 20 0 GGADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000739473919 599711428 /nfs/dbraw/zinc/71/14/28/599711428.db2.gz UCOQGPUXDOOHFL-GUYCJALGSA-N 0 1 391.830 3.351 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000736217899 599711437 /nfs/dbraw/zinc/71/14/37/599711437.db2.gz HZCOXORRQITYCZ-GDBMZVCRSA-N 0 1 385.489 3.107 20 0 GGADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000739473916 599711498 /nfs/dbraw/zinc/71/14/98/599711498.db2.gz UCOQGPUXDOOHFL-DYVFJYSZSA-N 0 1 391.830 3.351 20 0 GGADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000739513974 599712024 /nfs/dbraw/zinc/71/20/24/599712024.db2.gz CEAGCUQCOXRTET-SFHVURJKSA-N 0 1 390.842 3.453 20 0 GGADMN COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263487998 599716257 /nfs/dbraw/zinc/71/62/57/599716257.db2.gz QAPVYNJIRUJEFO-UHFFFAOYSA-N 0 1 396.487 3.061 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@@H](c4ccccc4C)C3)nc(=O)c12 ZINC000738766321 599717889 /nfs/dbraw/zinc/71/78/89/599717889.db2.gz DEZPRJMBECHGRP-CYBMUJFWSA-N 0 1 383.473 3.289 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@H](c4ccccc4C)C3)nc(=O)c12 ZINC000738766321 599717890 /nfs/dbraw/zinc/71/78/90/599717890.db2.gz DEZPRJMBECHGRP-CYBMUJFWSA-N 0 1 383.473 3.289 20 0 GGADMN COc1c(C)cc(C[N@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1C ZINC000737839332 599720687 /nfs/dbraw/zinc/72/06/87/599720687.db2.gz KMMILWOVHCKDNF-UHFFFAOYSA-N 0 1 385.464 3.150 20 0 GGADMN COc1c(C)cc(C[N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1C ZINC000737839332 599720688 /nfs/dbraw/zinc/72/06/88/599720688.db2.gz KMMILWOVHCKDNF-UHFFFAOYSA-N 0 1 385.464 3.150 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000738368392 599738475 /nfs/dbraw/zinc/73/84/75/599738475.db2.gz FIYMHENRDJDXPU-OAHLLOKOSA-N 0 1 394.269 3.066 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000738894606 599741692 /nfs/dbraw/zinc/74/16/92/599741692.db2.gz LREQLIOHHOPZLV-UHFFFAOYSA-N 0 1 384.461 3.356 20 0 GGADMN COc1cc(-c2noc(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])n2)ccc1OC(F)F ZINC000650504442 599753707 /nfs/dbraw/zinc/75/37/07/599753707.db2.gz NMNDJUVNXUGIFV-GFCCVEGCSA-N 0 1 397.378 3.176 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000740123723 599757001 /nfs/dbraw/zinc/75/70/01/599757001.db2.gz JUMGHCXPVJVLGF-UHFFFAOYSA-N 0 1 382.229 3.281 20 0 GGADMN O=C([O-])c1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000740123723 599757002 /nfs/dbraw/zinc/75/70/02/599757002.db2.gz JUMGHCXPVJVLGF-UHFFFAOYSA-N 0 1 382.229 3.281 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[NH2+]C3(c4ccc(F)cc4)CCC3)nc(=O)c12 ZINC000738290215 599781018 /nfs/dbraw/zinc/78/10/18/599781018.db2.gz JQZFHRIZXLBHGO-UHFFFAOYSA-N 0 1 387.436 3.299 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccccc1 ZINC000739506134 599786604 /nfs/dbraw/zinc/78/66/04/599786604.db2.gz UJPGNBYGLQCPNW-OAHLLOKOSA-N 0 1 377.322 3.270 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000739275519 599788523 /nfs/dbraw/zinc/78/85/23/599788523.db2.gz YFRGVCDSIFOLSF-OAQYLSRUSA-N 0 1 397.519 3.325 20 0 GGADMN Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C(=O)[O-])c3cc(F)ccc3F)cc12 ZINC000738917902 599788703 /nfs/dbraw/zinc/78/87/03/599788703.db2.gz HXXQNHVOBWJDRR-AWEZNQCLSA-N 0 1 380.782 3.124 20 0 GGADMN Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C(=O)[O-])c3cc(F)ccc3F)cc12 ZINC000738918104 599788834 /nfs/dbraw/zinc/78/88/34/599788834.db2.gz HXXQNHVOBWJDRR-CQSZACIVSA-N 0 1 380.782 3.124 20 0 GGADMN COc1ccccc1CC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000738134088 599793414 /nfs/dbraw/zinc/79/34/14/599793414.db2.gz XVXPHGSSWLRNQV-UHFFFAOYSA-N 0 1 388.489 3.057 20 0 GGADMN COc1ccccc1CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000738134088 599793415 /nfs/dbraw/zinc/79/34/15/599793415.db2.gz XVXPHGSSWLRNQV-UHFFFAOYSA-N 0 1 388.489 3.057 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000737657662 599811480 /nfs/dbraw/zinc/81/14/80/599811480.db2.gz ABMJBDBITZPZDY-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000737657662 599811482 /nfs/dbraw/zinc/81/14/82/599811482.db2.gz ABMJBDBITZPZDY-LBPRGKRZSA-N 0 1 390.461 3.000 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000739723193 599812911 /nfs/dbraw/zinc/81/29/11/599812911.db2.gz IMQUKWUMDXLKMH-UHFFFAOYSA-N 0 1 383.416 3.160 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000739723193 599812913 /nfs/dbraw/zinc/81/29/13/599812913.db2.gz IMQUKWUMDXLKMH-UHFFFAOYSA-N 0 1 383.416 3.160 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736735042 599820112 /nfs/dbraw/zinc/82/01/12/599820112.db2.gz DMWOCGMXSBLZJF-UHFFFAOYSA-N 0 1 381.476 3.442 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000736597890 599823785 /nfs/dbraw/zinc/82/37/85/599823785.db2.gz CPONMXBBQGHRPG-AWEZNQCLSA-N 0 1 387.505 3.334 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000736597890 599823786 /nfs/dbraw/zinc/82/37/86/599823786.db2.gz CPONMXBBQGHRPG-AWEZNQCLSA-N 0 1 387.505 3.334 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(C)C)c(-c4nn[nH]n4)c3)[nH]n2)o1 ZINC000822214018 607398122 /nfs/dbraw/zinc/39/81/22/607398122.db2.gz LUINHNUGMYIEGX-UHFFFAOYSA-N 0 1 393.407 3.198 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739759097 599829917 /nfs/dbraw/zinc/82/99/17/599829917.db2.gz HMUNGLHERZVRJF-FQEVSTJZSA-N 0 1 395.503 3.390 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000739760455 599830279 /nfs/dbraw/zinc/83/02/79/599830279.db2.gz PIALBTRSTXBUCF-UHFFFAOYSA-N 0 1 387.505 3.158 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000736365128 599838459 /nfs/dbraw/zinc/83/84/59/599838459.db2.gz PWYFVTKVOZACCG-HXUWFJFHSA-N 0 1 395.503 3.212 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000736272394 599863382 /nfs/dbraw/zinc/86/33/82/599863382.db2.gz GCHWGPDBNSBLML-UHFFFAOYSA-N 0 1 398.450 3.499 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736789545 599864431 /nfs/dbraw/zinc/86/44/31/599864431.db2.gz OQJMYOIROZCYFV-LPHOPBHVSA-N 0 1 388.512 3.003 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736789549 599864470 /nfs/dbraw/zinc/86/44/70/599864470.db2.gz OQJMYOIROZCYFV-VQIMIIECSA-N 0 1 388.512 3.003 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736789423 599865113 /nfs/dbraw/zinc/86/51/13/599865113.db2.gz NAGKJWJVTXFKAZ-APWZRJJASA-N 0 1 388.512 3.003 20 0 GGADMN O=C([O-])C[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000565898812 599865968 /nfs/dbraw/zinc/86/59/68/599865968.db2.gz MEQGAONUYUFAIV-UHFFFAOYSA-N 0 1 379.359 3.049 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736414541 599878296 /nfs/dbraw/zinc/87/82/96/599878296.db2.gz YTUAYWGGARIMSW-UNMCSNQZSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736414541 599878297 /nfs/dbraw/zinc/87/82/97/599878297.db2.gz YTUAYWGGARIMSW-UNMCSNQZSA-N 0 1 380.488 3.250 20 0 GGADMN CC1CCC(OC2CC[NH+](CC(=O)N(C)c3ccccc3C(=O)[O-])CC2)CC1 ZINC000736772393 599878313 /nfs/dbraw/zinc/87/83/13/599878313.db2.gz BKSMSUCQEDKLRB-UHFFFAOYSA-N 0 1 388.508 3.407 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736414539 599878400 /nfs/dbraw/zinc/87/84/00/599878400.db2.gz YTUAYWGGARIMSW-IRLDBZIGSA-N 0 1 380.488 3.250 20 0 GGADMN CC(C)C[C@@H](NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C(=O)[O-] ZINC000736414539 599878401 /nfs/dbraw/zinc/87/84/01/599878401.db2.gz YTUAYWGGARIMSW-IRLDBZIGSA-N 0 1 380.488 3.250 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000738519552 599894481 /nfs/dbraw/zinc/89/44/81/599894481.db2.gz SOLYVGCGHLNLPL-JXFKEZNVSA-N 0 1 382.460 3.484 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000738519552 599894483 /nfs/dbraw/zinc/89/44/83/599894483.db2.gz SOLYVGCGHLNLPL-JXFKEZNVSA-N 0 1 382.460 3.484 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1)C(C)C ZINC000737102004 599910526 /nfs/dbraw/zinc/91/05/26/599910526.db2.gz PEXRYMUGJVZDIC-HXUWFJFHSA-N 0 1 382.460 3.409 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000736755381 599914758 /nfs/dbraw/zinc/91/47/58/599914758.db2.gz MEISGZAFLUNRIA-FCEWJHQRSA-N 0 1 375.513 3.073 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000736796715 599928263 /nfs/dbraw/zinc/92/82/63/599928263.db2.gz YRUXWBQUKWMSHW-GJZGRUSLSA-N 0 1 378.538 3.492 20 0 GGADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000184907804 599932706 /nfs/dbraw/zinc/93/27/06/599932706.db2.gz ONFZLCPFVWQJHS-UHFFFAOYSA-N 0 1 390.505 3.012 20 0 GGADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccsc1 ZINC000184911282 599932764 /nfs/dbraw/zinc/93/27/64/599932764.db2.gz JFTINTBBNUEZCZ-INIZCTEOSA-N 0 1 396.534 3.116 20 0 GGADMN C[C@@H](C[N@@H+](Cn1nc2c3c1cccc3C(=O)c1ccccc1-2)C1CC1)C(=O)[O-] ZINC000736580912 599935100 /nfs/dbraw/zinc/93/51/00/599935100.db2.gz FFDACLCHPNMYDS-ZDUSSCGKSA-N 0 1 375.428 3.390 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579238 599950006 /nfs/dbraw/zinc/95/00/06/599950006.db2.gz RWGNMSWXNDQEGB-BFUOFWGJSA-N 0 1 390.480 3.278 20 0 GGADMN Cc1ccc([C@H](NC(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c2cccs2)cc1 ZINC000738570307 599951657 /nfs/dbraw/zinc/95/16/57/599951657.db2.gz YYFNBSKFUDFDEY-QRWLVFNGSA-N 0 1 386.517 3.447 20 0 GGADMN O=C([O-])c1sc2cccc(F)c2c1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000738715229 599957253 /nfs/dbraw/zinc/95/72/53/599957253.db2.gz VJFBXBYLPIBCOH-UHFFFAOYSA-N 0 1 386.452 3.241 20 0 GGADMN C[N@@H+](C[C@@H](c1cccs1)N1CCOCC1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737407641 599967791 /nfs/dbraw/zinc/96/77/91/599967791.db2.gz DDFIJPIHNGNQKL-FUHWJXTLSA-N 0 1 378.469 3.018 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000739371058 599971873 /nfs/dbraw/zinc/97/18/73/599971873.db2.gz ZZUVWYRYUROYTD-HNAYVOBHSA-N 0 1 388.414 3.119 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000739371056 599971946 /nfs/dbraw/zinc/97/19/46/599971946.db2.gz ZZUVWYRYUROYTD-DNVCBOLYSA-N 0 1 388.414 3.119 20 0 GGADMN Cc1cnn(C[C@@H]2C[N@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)c1 ZINC000738334518 599972165 /nfs/dbraw/zinc/97/21/65/599972165.db2.gz SPUBGKPHAPGOPR-ZDUSSCGKSA-N 0 1 389.452 3.145 20 0 GGADMN Cc1cnn(C[C@@H]2C[N@@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)c1 ZINC000738334518 599972166 /nfs/dbraw/zinc/97/21/66/599972166.db2.gz SPUBGKPHAPGOPR-ZDUSSCGKSA-N 0 1 389.452 3.145 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516827 599973779 /nfs/dbraw/zinc/97/37/79/599973779.db2.gz BLIREULDVJYPRE-YJBOKZPZSA-N 0 1 384.480 3.208 20 0 GGADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516827 599973783 /nfs/dbraw/zinc/97/37/83/599973783.db2.gz BLIREULDVJYPRE-YJBOKZPZSA-N 0 1 384.480 3.208 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516823 599974187 /nfs/dbraw/zinc/97/41/87/599974187.db2.gz BLIREULDVJYPRE-MAUKXSAKSA-N 0 1 384.480 3.208 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738516823 599974190 /nfs/dbraw/zinc/97/41/90/599974190.db2.gz BLIREULDVJYPRE-MAUKXSAKSA-N 0 1 384.480 3.208 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000737284616 599975736 /nfs/dbraw/zinc/97/57/36/599975736.db2.gz JIPSGEJITVXZDW-AWEZNQCLSA-N 0 1 390.509 3.098 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000737069904 599977537 /nfs/dbraw/zinc/97/75/37/599977537.db2.gz ZKZFBWJWLKGZOX-ZDUSSCGKSA-N 0 1 376.478 3.347 20 0 GGADMN COc1ccc(F)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000738016565 599986343 /nfs/dbraw/zinc/98/63/43/599986343.db2.gz DAYWHGDDYPTRJX-QGZVFWFLSA-N 0 1 389.423 3.426 20 0 GGADMN COc1ccc(F)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000738016565 599986345 /nfs/dbraw/zinc/98/63/45/599986345.db2.gz DAYWHGDDYPTRJX-QGZVFWFLSA-N 0 1 389.423 3.426 20 0 GGADMN CC[N@H+](C)[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC000737069006 599988215 /nfs/dbraw/zinc/98/82/15/599988215.db2.gz NCYZLMXSTBVMFO-INIZCTEOSA-N 0 1 384.461 3.468 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC000737069006 599988219 /nfs/dbraw/zinc/98/82/19/599988219.db2.gz NCYZLMXSTBVMFO-INIZCTEOSA-N 0 1 384.461 3.468 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000737869271 599992961 /nfs/dbraw/zinc/99/29/61/599992961.db2.gz ZBKAGEVSRMUXLI-ICSRJNTNSA-N 0 1 399.487 3.088 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000739272861 600005120 /nfs/dbraw/zinc/00/51/20/600005120.db2.gz GDSBQAHRFCACQY-SWHYSGLUSA-N 0 1 377.441 3.092 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000739719312 600005230 /nfs/dbraw/zinc/00/52/30/600005230.db2.gz UZQAMDYRNXSZMZ-UHFFFAOYSA-N 0 1 387.436 3.351 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)Cc1ccccc1 ZINC000739719312 600005233 /nfs/dbraw/zinc/00/52/33/600005233.db2.gz UZQAMDYRNXSZMZ-UHFFFAOYSA-N 0 1 387.436 3.351 20 0 GGADMN Cc1c(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1C(=O)[O-] ZINC000738303820 600007817 /nfs/dbraw/zinc/00/78/17/600007817.db2.gz KSFJGGQEQBIDEW-GOSISDBHSA-N 0 1 381.476 3.379 20 0 GGADMN Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1C(=O)[O-] ZINC000738303822 600007825 /nfs/dbraw/zinc/00/78/25/600007825.db2.gz KSFJGGQEQBIDEW-SFHVURJKSA-N 0 1 381.476 3.379 20 0 GGADMN O=C([O-])c1ccc(F)c(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000739414888 600008316 /nfs/dbraw/zinc/00/83/16/600008316.db2.gz NAAKEFCQAAONRN-INIZCTEOSA-N 0 1 385.439 3.210 20 0 GGADMN O=C([O-])Nc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000740043469 600009269 /nfs/dbraw/zinc/00/92/69/600009269.db2.gz SSXFTWKBGDXAOS-QGZVFWFLSA-N 0 1 382.464 3.463 20 0 GGADMN Cc1cc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1C(=O)[O-] ZINC000738444261 600011766 /nfs/dbraw/zinc/01/17/66/600011766.db2.gz KNFYOVLRMWOZJO-INIZCTEOSA-N 0 1 397.475 3.236 20 0 GGADMN Cc1cc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1C(=O)[O-] ZINC000738444261 600011770 /nfs/dbraw/zinc/01/17/70/600011770.db2.gz KNFYOVLRMWOZJO-INIZCTEOSA-N 0 1 397.475 3.236 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C(=O)[O-] ZINC000738441266 600012572 /nfs/dbraw/zinc/01/25/72/600012572.db2.gz PQWIKFQMFDETKG-SFHVURJKSA-N 0 1 381.476 3.379 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000737358062 600013326 /nfs/dbraw/zinc/01/33/26/600013326.db2.gz HNGBOIJCXWTYRZ-SFHVURJKSA-N 0 1 387.867 3.366 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736796110 600018577 /nfs/dbraw/zinc/01/85/77/600018577.db2.gz XCWVUQCPOHAMJJ-CABCVRRESA-N 0 1 379.526 3.246 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722299 600018973 /nfs/dbraw/zinc/01/89/73/600018973.db2.gz BUNXSLXPJYJLCQ-MGPUTAFESA-N 0 1 379.460 3.246 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000736793043 600020648 /nfs/dbraw/zinc/02/06/48/600020648.db2.gz IREUNQZPSXLNIV-GJZGRUSLSA-N 0 1 379.526 3.246 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000736793049 600020668 /nfs/dbraw/zinc/02/06/68/600020668.db2.gz IREUNQZPSXLNIV-LSDHHAIUSA-N 0 1 379.526 3.246 20 0 GGADMN C[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000736782140 600020851 /nfs/dbraw/zinc/02/08/51/600020851.db2.gz APDXDYVIOBGYSO-CABCVRRESA-N 0 1 379.526 3.389 20 0 GGADMN O=C([O-])COc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000738612617 600022344 /nfs/dbraw/zinc/02/23/44/600022344.db2.gz OEVNIDQBGDEIDA-SFHVURJKSA-N 0 1 389.496 3.316 20 0 GGADMN CCN(CC(=O)[O-])Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(Cl)cc2)c1=S ZINC000737079094 600027896 /nfs/dbraw/zinc/02/78/96/600027896.db2.gz JCPQBJDHRKHTJS-GFCCVEGCSA-N 0 1 397.932 3.043 20 0 GGADMN COc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1C(=O)[O-] ZINC000738009167 600032817 /nfs/dbraw/zinc/03/28/17/600032817.db2.gz XLSRLGXAQZPVGT-FQEVSTJZSA-N 0 1 382.460 3.237 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670995 600036047 /nfs/dbraw/zinc/03/60/47/600036047.db2.gz PEKUNUSJTGUSRG-PZJWPPBQSA-N 0 1 378.472 3.460 20 0 GGADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738670989 600036254 /nfs/dbraw/zinc/03/62/54/600036254.db2.gz PEKUNUSJTGUSRG-CTNGQTDRSA-N 0 1 378.472 3.460 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000736883900 600036804 /nfs/dbraw/zinc/03/68/04/600036804.db2.gz PMEUEBGPZUDYTG-UWJYYQICSA-N 0 1 380.488 3.325 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737518219 600039457 /nfs/dbraw/zinc/03/94/57/600039457.db2.gz PGWNALMTKIFATD-UHFFFAOYSA-N 0 1 381.476 3.098 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000737862334 600039604 /nfs/dbraw/zinc/03/96/04/600039604.db2.gz IIGYOCQUWVSGET-UXHICEINSA-N 0 1 399.487 3.230 20 0 GGADMN C[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccc(Cl)c1 ZINC000737394653 600044627 /nfs/dbraw/zinc/04/46/27/600044627.db2.gz ZAUIHLVXKOHMMO-IBGZPJMESA-N 0 1 399.878 3.065 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccc(Cl)c1 ZINC000737394653 600044629 /nfs/dbraw/zinc/04/46/29/600044629.db2.gz ZAUIHLVXKOHMMO-IBGZPJMESA-N 0 1 399.878 3.065 20 0 GGADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000736873100 600045746 /nfs/dbraw/zinc/04/57/46/600045746.db2.gz AGOZFFOHHKJCRF-ACJLOTCBSA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000736873113 600045851 /nfs/dbraw/zinc/04/58/51/600045851.db2.gz AGOZFFOHHKJCRF-UGSOOPFHSA-N 0 1 389.521 3.091 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000736367135 600046784 /nfs/dbraw/zinc/04/67/84/600046784.db2.gz HTZRGNSASIQOPQ-IRXDYDNUSA-N 0 1 381.904 3.103 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000736367135 600046786 /nfs/dbraw/zinc/04/67/86/600046786.db2.gz HTZRGNSASIQOPQ-IRXDYDNUSA-N 0 1 381.904 3.103 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000736367132 600046987 /nfs/dbraw/zinc/04/69/87/600046987.db2.gz HTZRGNSASIQOPQ-IAGOWNOFSA-N 0 1 381.904 3.103 20 0 GGADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000736367132 600046991 /nfs/dbraw/zinc/04/69/91/600046991.db2.gz HTZRGNSASIQOPQ-IAGOWNOFSA-N 0 1 381.904 3.103 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000736367136 600047156 /nfs/dbraw/zinc/04/71/56/600047156.db2.gz HTZRGNSASIQOPQ-SJORKVTESA-N 0 1 381.904 3.103 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000736367136 600047158 /nfs/dbraw/zinc/04/71/58/600047158.db2.gz HTZRGNSASIQOPQ-SJORKVTESA-N 0 1 381.904 3.103 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878860 600047236 /nfs/dbraw/zinc/04/72/36/600047236.db2.gz NOMMYJXQPIBWAI-DEYYWGMASA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878860 600047237 /nfs/dbraw/zinc/04/72/37/600047237.db2.gz NOMMYJXQPIBWAI-DEYYWGMASA-N 0 1 389.521 3.091 20 0 GGADMN COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000738048083 600049944 /nfs/dbraw/zinc/04/99/44/600049944.db2.gz KOXFUUQPWWOSMP-NSHDSACASA-N 0 1 392.477 3.370 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H](CC(=O)[O-])c3cccs3)CC2)cs1 ZINC000738855933 600061140 /nfs/dbraw/zinc/06/11/40/600061140.db2.gz ZIGZPFDJGDQMQC-OAHLLOKOSA-N 0 1 393.534 3.057 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000738703718 600062202 /nfs/dbraw/zinc/06/22/02/600062202.db2.gz NWMGSRCTZCJDNS-YADHBBJMSA-N 0 1 394.515 3.267 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739256921 600065963 /nfs/dbraw/zinc/06/59/63/600065963.db2.gz QPCOXHAXVXJHKN-FQEVSTJZSA-N 0 1 380.488 3.346 20 0 GGADMN COc1ccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c(C(=O)[O-])c1 ZINC000738027528 600068365 /nfs/dbraw/zinc/06/83/65/600068365.db2.gz ZOIJSLCCVNZZDE-UHFFFAOYSA-N 0 1 389.477 3.009 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738093137 600069311 /nfs/dbraw/zinc/06/93/11/600069311.db2.gz VSONXWJRKAMWRZ-QGZVFWFLSA-N 0 1 396.487 3.231 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737113181 600074174 /nfs/dbraw/zinc/07/41/74/600074174.db2.gz BMWUNYMFGKHKQU-OAQYLSRUSA-N 0 1 395.503 3.226 20 0 GGADMN O=C([O-])CSCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000739847666 600074481 /nfs/dbraw/zinc/07/44/81/600074481.db2.gz ZBIHVLHCNGVPMT-MRXNPFEDSA-N 0 1 384.929 3.019 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000738956601 600077509 /nfs/dbraw/zinc/07/75/09/600077509.db2.gz CDUNDUMRGNCFLP-AWEZNQCLSA-N 0 1 389.427 3.459 20 0 GGADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000739406923 600077585 /nfs/dbraw/zinc/07/75/85/600077585.db2.gz KWCZYMRXXNQZNA-CYBMUJFWSA-N 0 1 375.400 3.151 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000738382441 600077859 /nfs/dbraw/zinc/07/78/59/600077859.db2.gz IBLKFKHTIMUZHK-CQSZACIVSA-N 0 1 389.427 3.459 20 0 GGADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)CCc1ccccc1F ZINC000737447046 600081607 /nfs/dbraw/zinc/08/16/07/600081607.db2.gz GYRJSBKNJVGWMC-HXUWFJFHSA-N 0 1 397.450 3.035 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)CCc1ccccc1F ZINC000737447045 600081896 /nfs/dbraw/zinc/08/18/96/600081896.db2.gz GYRJSBKNJVGWMC-FQEVSTJZSA-N 0 1 397.450 3.035 20 0 GGADMN C/C=C\c1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791171 600082132 /nfs/dbraw/zinc/08/21/32/600082132.db2.gz UWRULCZMOYIETE-LLHWWHOWSA-N 0 1 383.444 3.182 20 0 GGADMN C/C=C\c1ccc(OC[C@@H](O)C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)c(OC)c1 ZINC000659791171 600082134 /nfs/dbraw/zinc/08/21/34/600082134.db2.gz UWRULCZMOYIETE-LLHWWHOWSA-N 0 1 383.444 3.182 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000659790718 600082198 /nfs/dbraw/zinc/08/21/98/600082198.db2.gz HCZITCACBDTHSB-UHFFFAOYSA-N 0 1 377.448 3.224 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000738028855 600088707 /nfs/dbraw/zinc/08/87/07/600088707.db2.gz WAGPAIQZAAEWKX-UHFFFAOYSA-N 0 1 376.840 3.264 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@@H]1CCCCO1 ZINC000737010785 600091425 /nfs/dbraw/zinc/09/14/25/600091425.db2.gz ADVCDBMYGXDNLW-ZDUSSCGKSA-N 0 1 380.510 3.155 20 0 GGADMN CCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C[C@@H]1CCCCO1 ZINC000737010785 600091429 /nfs/dbraw/zinc/09/14/29/600091429.db2.gz ADVCDBMYGXDNLW-ZDUSSCGKSA-N 0 1 380.510 3.155 20 0 GGADMN COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(F)cc3C(=O)[O-])[C@@H](C)C2)cc1 ZINC000737696546 600092199 /nfs/dbraw/zinc/09/21/99/600092199.db2.gz ZAUAXZXVDWYXQW-AWEZNQCLSA-N 0 1 386.423 3.021 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000678301347 600104705 /nfs/dbraw/zinc/10/47/05/600104705.db2.gz BLBOVQTZQAYODS-WWDZGPRUSA-N 0 1 388.508 3.313 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000678301344 600104933 /nfs/dbraw/zinc/10/49/33/600104933.db2.gz BLBOVQTZQAYODS-AOCRQIFASA-N 0 1 388.508 3.313 20 0 GGADMN COc1cccc([C@@H](C)N2CC[NH+](CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738091574 600105146 /nfs/dbraw/zinc/10/51/46/600105146.db2.gz KBKABAAOXLKJKG-QGZVFWFLSA-N 0 1 384.476 3.151 20 0 GGADMN COc1cccc([C@@H](C)[NH+]2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738091574 600105148 /nfs/dbraw/zinc/10/51/48/600105148.db2.gz KBKABAAOXLKJKG-QGZVFWFLSA-N 0 1 384.476 3.151 20 0 GGADMN CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736951585 600105378 /nfs/dbraw/zinc/10/53/78/600105378.db2.gz WLOMDJAYVLVKOL-ROUUACIJSA-N 0 1 384.501 3.095 20 0 GGADMN CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736951585 600105379 /nfs/dbraw/zinc/10/53/79/600105379.db2.gz WLOMDJAYVLVKOL-ROUUACIJSA-N 0 1 384.501 3.095 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736788962 600107887 /nfs/dbraw/zinc/10/78/87/600107887.db2.gz JETIIMDVKYCGGT-HNNXBMFYSA-N 0 1 379.526 3.390 20 0 GGADMN C[C@@H](OC[C@H](O)C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790580 600110018 /nfs/dbraw/zinc/11/00/18/600110018.db2.gz BOMINWAXENEXOW-BFUOFWGJSA-N 0 1 375.852 3.493 20 0 GGADMN C[C@@H](OC[C@H](O)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000659790580 600110019 /nfs/dbraw/zinc/11/00/19/600110019.db2.gz BOMINWAXENEXOW-BFUOFWGJSA-N 0 1 375.852 3.493 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000739754499 600124537 /nfs/dbraw/zinc/12/45/37/600124537.db2.gz SWQKEEDIHMRJHB-IAGOWNOFSA-N 0 1 377.510 3.143 20 0 GGADMN CCc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000737259849 600129165 /nfs/dbraw/zinc/12/91/65/600129165.db2.gz ZCPJKWCKVNMHEC-YLJYHZDGSA-N 0 1 386.517 3.313 20 0 GGADMN CC[C@@]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000736915050 600129189 /nfs/dbraw/zinc/12/91/89/600129189.db2.gz BRLIVIMEWFXLDH-QFIPXVFZSA-N 0 1 381.476 3.205 20 0 GGADMN CC[C@]([NH2+]CC(=O)Nc1ccccc1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC000736915927 600130164 /nfs/dbraw/zinc/13/01/64/600130164.db2.gz GDKZMVUUVMIKJD-LJQANCHMSA-N 0 1 378.375 3.206 20 0 GGADMN CC[C@@](NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC000736906604 600131442 /nfs/dbraw/zinc/13/14/42/600131442.db2.gz LZTNWKDQXVSDIY-QFIPXVFZSA-N 0 1 381.476 3.113 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000263559691 600134136 /nfs/dbraw/zinc/13/41/36/600134136.db2.gz BDWZAIVSVIMBDH-QGZVFWFLSA-N 0 1 396.491 3.265 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000263559691 600134138 /nfs/dbraw/zinc/13/41/38/600134138.db2.gz BDWZAIVSVIMBDH-QGZVFWFLSA-N 0 1 396.491 3.265 20 0 GGADMN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262632829 600140420 /nfs/dbraw/zinc/14/04/20/600140420.db2.gz FQGLLXOTZCFJJH-IJLUTSLNSA-N 0 1 375.494 3.379 20 0 GGADMN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262632829 600140424 /nfs/dbraw/zinc/14/04/24/600140424.db2.gz FQGLLXOTZCFJJH-IJLUTSLNSA-N 0 1 375.494 3.379 20 0 GGADMN C[C@H](C[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000736571102 600143719 /nfs/dbraw/zinc/14/37/19/600143719.db2.gz IGNORIHGGZEMBG-IERDGZPVSA-N 0 1 393.487 3.457 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736571679 600143727 /nfs/dbraw/zinc/14/37/27/600143727.db2.gz MTAVTAFCSNDXPU-HRAATJIYSA-N 0 1 393.487 3.015 20 0 GGADMN CC(C)(NC(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000736329385 600155322 /nfs/dbraw/zinc/15/53/22/600155322.db2.gz WJEKAUNWWJWZCJ-MRXNPFEDSA-N 0 1 387.505 3.010 20 0 GGADMN CC(C)(NC(=O)[O-])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000736329385 600155323 /nfs/dbraw/zinc/15/53/23/600155323.db2.gz WJEKAUNWWJWZCJ-MRXNPFEDSA-N 0 1 387.505 3.010 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000738554108 600156231 /nfs/dbraw/zinc/15/62/31/600156231.db2.gz ILBOVOUBVUPIRP-RTWAWAEBSA-N 0 1 380.488 3.192 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738532172 600156431 /nfs/dbraw/zinc/15/64/31/600156431.db2.gz DSPBDVDACMLOTN-SFHVURJKSA-N 0 1 381.476 3.379 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737114908 600175596 /nfs/dbraw/zinc/17/55/96/600175596.db2.gz MCSJNZHSEUQLES-IBGZPJMESA-N 0 1 382.464 3.298 20 0 GGADMN CN(C(=O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1C(=O)[O-] ZINC000737324150 600178830 /nfs/dbraw/zinc/17/88/30/600178830.db2.gz LSPMBTWZOAGIQH-UHFFFAOYSA-N 0 1 386.423 3.030 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000737869206 600178997 /nfs/dbraw/zinc/17/89/97/600178997.db2.gz YGGIDDJWRDIULT-ZYSHUDEJSA-N 0 1 385.460 3.011 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000737166714 600180564 /nfs/dbraw/zinc/18/05/64/600180564.db2.gz JLPAROXUISLXFH-GUYCJALGSA-N 0 1 397.903 3.297 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)[C@H](C)C1 ZINC000737166500 600181891 /nfs/dbraw/zinc/18/18/91/600181891.db2.gz FKRCFCFZUCBVBQ-CRAIPNDOSA-N 0 1 392.500 3.059 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)[C@@H](C)C1 ZINC000737166523 600182049 /nfs/dbraw/zinc/18/20/49/600182049.db2.gz FKRCFCFZUCBVBQ-YJBOKZPZSA-N 0 1 392.500 3.059 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)[C@H](C)C1 ZINC000737166112 600182058 /nfs/dbraw/zinc/18/20/58/600182058.db2.gz CGTIEOWBOQAVCX-PBHICJAKSA-N 0 1 378.473 3.035 20 0 GGADMN O=C([O-])COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000659758040 600206413 /nfs/dbraw/zinc/20/64/13/600206413.db2.gz MXCBFOICMSVYOM-IHWFROFDSA-N 0 1 394.471 3.075 20 0 GGADMN O=C([O-])COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000659758300 600206585 /nfs/dbraw/zinc/20/65/85/600206585.db2.gz PMVAANPJCRWPGY-IHWFROFDSA-N 0 1 394.471 3.075 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000739248552 600208970 /nfs/dbraw/zinc/20/89/70/600208970.db2.gz IDPKZTMYPHLZKV-UHFFFAOYSA-N 0 1 389.249 3.492 20 0 GGADMN C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737454346 600210573 /nfs/dbraw/zinc/21/05/73/600210573.db2.gz MCMCKEFUJVNBAZ-OAHLLOKOSA-N 0 1 378.222 3.436 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737407564 600212601 /nfs/dbraw/zinc/21/26/01/600212601.db2.gz BZEUVLVQSNJPBD-PBHICJAKSA-N 0 1 384.259 3.491 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000737505088 600215874 /nfs/dbraw/zinc/21/58/74/600215874.db2.gz DDBLMEKOGWCEMS-KXBFYZLASA-N 0 1 381.432 3.152 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000737505085 600215881 /nfs/dbraw/zinc/21/58/81/600215881.db2.gz DDBLMEKOGWCEMS-BEFAXECRSA-N 0 1 381.432 3.152 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000740024852 600217713 /nfs/dbraw/zinc/21/77/13/600217713.db2.gz LYVCCEJBMCFBAL-UHFFFAOYSA-N 0 1 385.439 3.411 20 0 GGADMN Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000580084944 600217798 /nfs/dbraw/zinc/21/77/98/600217798.db2.gz GQYJLRWRTPBBGI-QUCCMNQESA-N 0 1 387.501 3.223 20 0 GGADMN Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000580084943 600218094 /nfs/dbraw/zinc/21/80/94/600218094.db2.gz GQYJLRWRTPBBGI-ICSRJNTNSA-N 0 1 387.501 3.223 20 0 GGADMN Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000580084945 600218156 /nfs/dbraw/zinc/21/81/56/600218156.db2.gz GQYJLRWRTPBBGI-UYAOXDASSA-N 0 1 387.501 3.223 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2)C[C@H](C)O1 ZINC000736808871 600218186 /nfs/dbraw/zinc/21/81/86/600218186.db2.gz JWSACDBTIVRHAR-YRNRMSPPSA-N 0 1 394.471 3.124 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2)C[C@H](C)O1 ZINC000736808871 600218187 /nfs/dbraw/zinc/21/81/87/600218187.db2.gz JWSACDBTIVRHAR-YRNRMSPPSA-N 0 1 394.471 3.124 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2)C[C@@H](C)O1 ZINC000736808865 600218387 /nfs/dbraw/zinc/21/83/87/600218387.db2.gz JWSACDBTIVRHAR-JXXFODFXSA-N 0 1 394.471 3.124 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)o1 ZINC000738581213 600218509 /nfs/dbraw/zinc/21/85/09/600218509.db2.gz CJTUPVBHTRQIKC-OXQOHEQNSA-N 0 1 395.459 3.460 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582536 600218701 /nfs/dbraw/zinc/21/87/01/600218701.db2.gz KJHKRYLPUPDYIU-OALUTQOASA-N 0 1 395.459 3.018 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582536 600218702 /nfs/dbraw/zinc/21/87/02/600218702.db2.gz KJHKRYLPUPDYIU-OALUTQOASA-N 0 1 395.459 3.018 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582535 600218837 /nfs/dbraw/zinc/21/88/37/600218837.db2.gz KJHKRYLPUPDYIU-MOPGFXCFSA-N 0 1 395.459 3.018 20 0 GGADMN Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000738582535 600218838 /nfs/dbraw/zinc/21/88/38/600218838.db2.gz KJHKRYLPUPDYIU-MOPGFXCFSA-N 0 1 395.459 3.018 20 0 GGADMN CCC[N@@H+](CCc1cccc(F)c1)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000737019280 600225008 /nfs/dbraw/zinc/22/50/08/600225008.db2.gz BRLMOXOLMBLPJA-NRFANRHFSA-N 0 1 398.478 3.118 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736940373 600226245 /nfs/dbraw/zinc/22/62/45/600226245.db2.gz FYSQWVBSXUGBOJ-KRWDZBQOSA-N 0 1 388.512 3.371 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736940378 600226364 /nfs/dbraw/zinc/22/63/64/600226364.db2.gz FYSQWVBSXUGBOJ-QGZVFWFLSA-N 0 1 388.512 3.371 20 0 GGADMN Cc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000738383489 600232003 /nfs/dbraw/zinc/23/20/03/600232003.db2.gz UWPXYZUDLALEIV-LBPRGKRZSA-N 0 1 387.354 3.177 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000738957765 600232598 /nfs/dbraw/zinc/23/25/98/600232598.db2.gz NMJVUHLAUXYJEU-CYBMUJFWSA-N 0 1 387.354 3.177 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000739285630 600233179 /nfs/dbraw/zinc/23/31/79/600233179.db2.gz HXQWQLMHQUOPTE-RBUKOAKNSA-N 0 1 395.459 3.100 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000739285630 600233182 /nfs/dbraw/zinc/23/31/82/600233182.db2.gz HXQWQLMHQUOPTE-RBUKOAKNSA-N 0 1 395.459 3.100 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738253237 600259183 /nfs/dbraw/zinc/25/91/83/600259183.db2.gz NCEQAUCHXZUEQI-ZDUSSCGKSA-N 0 1 396.260 3.313 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738253237 600259184 /nfs/dbraw/zinc/25/91/84/600259184.db2.gz NCEQAUCHXZUEQI-ZDUSSCGKSA-N 0 1 396.260 3.313 20 0 GGADMN CCc1[nH]c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c1C(=O)[O-] ZINC000737241114 600260266 /nfs/dbraw/zinc/26/02/66/600260266.db2.gz JYFGEEIASAATJG-GDBMZVCRSA-N 0 1 375.513 3.310 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736785876 600260359 /nfs/dbraw/zinc/26/03/59/600260359.db2.gz WQANQYDMCBODEH-QZTJIDSGSA-N 0 1 397.519 3.453 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000565366071 600262052 /nfs/dbraw/zinc/26/20/52/600262052.db2.gz NDZICDOUGBSKLB-KSSFIOAISA-N 0 1 377.868 3.341 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000568061332 600262333 /nfs/dbraw/zinc/26/23/33/600262333.db2.gz CAYAVOQYHGHYRX-YJBOKZPZSA-N 0 1 384.451 3.093 20 0 GGADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000736765219 600264154 /nfs/dbraw/zinc/26/41/54/600264154.db2.gz ZNXGFOJXIHDBNR-WMLDXEAASA-N 0 1 385.439 3.410 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736763833 600274039 /nfs/dbraw/zinc/27/40/39/600274039.db2.gz WMSDMAVEYYUZHY-MFMILTCTSA-N 0 1 396.462 3.042 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736763830 600274141 /nfs/dbraw/zinc/27/41/41/600274141.db2.gz WMSDMAVEYYUZHY-JJXUHFIVSA-N 0 1 396.462 3.042 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000737861230 600274174 /nfs/dbraw/zinc/27/41/74/600274174.db2.gz BHBKZYJFJZJQBA-SJORKVTESA-N 0 1 389.448 3.343 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736763835 600274222 /nfs/dbraw/zinc/27/42/22/600274222.db2.gz WMSDMAVEYYUZHY-QFIXIFRTSA-N 0 1 396.462 3.042 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000739624198 600274636 /nfs/dbraw/zinc/27/46/36/600274636.db2.gz IURMSGHBNDBCII-RBUKOAKNSA-N 0 1 382.460 3.235 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000739624200 600274733 /nfs/dbraw/zinc/27/47/33/600274733.db2.gz IURMSGHBNDBCII-RTBURBONSA-N 0 1 382.460 3.235 20 0 GGADMN CC(C)(C)C1CCC2(CC(=O)N(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)C2=O)CC1 ZINC000736256663 600278285 /nfs/dbraw/zinc/27/82/85/600278285.db2.gz OCVJYBDZHFZTCC-JXORXQGFSA-N 0 1 390.524 3.112 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000738827012 600280668 /nfs/dbraw/zinc/28/06/68/600280668.db2.gz DSYXJQIIIUNBKJ-HNNXBMFYSA-N 0 1 393.285 3.303 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cn1nc(Cc3ccccc3F)oc1=S)CC2 ZINC000739536967 600281742 /nfs/dbraw/zinc/28/17/42/600281742.db2.gz QBSGKRCXUPYRDW-CYBMUJFWSA-N 0 1 377.441 3.080 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[C@H](C)C1 ZINC000737166483 600282308 /nfs/dbraw/zinc/28/23/08/600282308.db2.gz FIEIRPJSOZOZPE-CXAGYDPISA-N 0 1 397.903 3.297 20 0 GGADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000736811465 600282328 /nfs/dbraw/zinc/28/23/28/600282328.db2.gz ZBFBBCOVEZBOEL-VXGBXAGGSA-N 0 1 383.876 3.048 20 0 GGADMN NC(CCc1ccccc1)=[NH+]OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000739184715 600283443 /nfs/dbraw/zinc/28/34/43/600283443.db2.gz XBIDXXDDFLADPZ-UHFFFAOYSA-N 0 1 387.461 3.005 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000737905578 600285591 /nfs/dbraw/zinc/28/55/91/600285591.db2.gz MIHRUPWQUCKHNI-SFHVURJKSA-N 0 1 383.444 3.213 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738237821 600286478 /nfs/dbraw/zinc/28/64/78/600286478.db2.gz XJKUDKYEXDHZMP-JCGIZDLHSA-N 0 1 389.540 3.487 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000740025351 600287391 /nfs/dbraw/zinc/28/73/91/600287391.db2.gz ROAUADSLJSMUDW-UHFFFAOYSA-N 0 1 385.439 3.239 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000739420057 600288732 /nfs/dbraw/zinc/28/87/32/600288732.db2.gz MTKAOVSZMRROIO-UHFFFAOYSA-N 0 1 379.869 3.280 20 0 GGADMN O=C([O-])c1cc(Cl)cc(NC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000739420057 600288735 /nfs/dbraw/zinc/28/87/35/600288735.db2.gz MTKAOVSZMRROIO-UHFFFAOYSA-N 0 1 379.869 3.280 20 0 GGADMN C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@@H]4CC(=O)[O-])nc(N)c32)C1 ZINC000736803507 600292260 /nfs/dbraw/zinc/29/22/60/600292260.db2.gz WQHGSRYOJBZIMJ-QWHCGFSZSA-N 0 1 388.537 3.270 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000736824084 600295390 /nfs/dbraw/zinc/29/53/90/600295390.db2.gz NGUFFRCAWHWYGL-HNNXBMFYSA-N 0 1 377.444 3.349 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC2 ZINC000739277694 600296078 /nfs/dbraw/zinc/29/60/78/600296078.db2.gz GNEJWSRNNCMBSS-FQEVSTJZSA-N 0 1 394.471 3.391 20 0 GGADMN CC[C@]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736920232 600305149 /nfs/dbraw/zinc/30/51/49/600305149.db2.gz OPQAYLXMBDHALE-SPLOXXLWSA-N 0 1 390.430 3.464 20 0 GGADMN CN(Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000737477615 600305146 /nfs/dbraw/zinc/30/51/46/600305146.db2.gz IMCNAGXPLPJREB-SFHVURJKSA-N 0 1 382.464 3.042 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)n2)cc1 ZINC000738487617 600305294 /nfs/dbraw/zinc/30/52/94/600305294.db2.gz CVTULXKHCGZIBH-HNNXBMFYSA-N 0 1 385.489 3.244 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2 ZINC000581829921 600305746 /nfs/dbraw/zinc/30/57/46/600305746.db2.gz OZBKPELJPYAJHV-ZDUSSCGKSA-N 0 1 381.354 3.442 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000739279151 600310122 /nfs/dbraw/zinc/31/01/22/600310122.db2.gz VMKFDEMXBZOSBU-AWEZNQCLSA-N 0 1 389.452 3.074 20 0 GGADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000736716873 600315437 /nfs/dbraw/zinc/31/54/37/600315437.db2.gz JPWBIQIHQGANMR-VBKZILBWSA-N 0 1 395.459 3.120 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(F)c(F)c1 ZINC000739717119 600326057 /nfs/dbraw/zinc/32/60/57/600326057.db2.gz GONWEAKTAAAXPD-VQIMIIECSA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(F)c(F)c1 ZINC000739717119 600326060 /nfs/dbraw/zinc/32/60/60/600326060.db2.gz GONWEAKTAAAXPD-VQIMIIECSA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(F)c(F)c1 ZINC000739717114 600326190 /nfs/dbraw/zinc/32/61/90/600326190.db2.gz GONWEAKTAAAXPD-QFBILLFUSA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccc(F)c(F)c1 ZINC000739717114 600326192 /nfs/dbraw/zinc/32/61/92/600326192.db2.gz GONWEAKTAAAXPD-QFBILLFUSA-N 0 1 394.462 3.423 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000739718344 600326212 /nfs/dbraw/zinc/32/62/12/600326212.db2.gz LHJPHLGHCLARQY-UHFFFAOYSA-N 0 1 396.821 3.211 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000739718344 600326214 /nfs/dbraw/zinc/32/62/14/600326214.db2.gz LHJPHLGHCLARQY-UHFFFAOYSA-N 0 1 396.821 3.211 20 0 GGADMN COc1ccc(C)cc1NC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737972189 600326502 /nfs/dbraw/zinc/32/65/02/600326502.db2.gz KOXFZYLPMNUYBR-UHFFFAOYSA-N 0 1 392.402 3.197 20 0 GGADMN COc1ccc(C)cc1NC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737972189 600326506 /nfs/dbraw/zinc/32/65/06/600326506.db2.gz KOXFZYLPMNUYBR-UHFFFAOYSA-N 0 1 392.402 3.197 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(F)c(F)c1 ZINC000739716093 600326754 /nfs/dbraw/zinc/32/67/54/600326754.db2.gz CAXRGNNACKKFPX-UHFFFAOYSA-N 0 1 388.414 3.221 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(F)c(F)c1 ZINC000739716093 600326757 /nfs/dbraw/zinc/32/67/57/600326757.db2.gz CAXRGNNACKKFPX-UHFFFAOYSA-N 0 1 388.414 3.221 20 0 GGADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccc(F)c(F)c1 ZINC000739724594 600327044 /nfs/dbraw/zinc/32/70/44/600327044.db2.gz NZJXMFOCQXAIBC-UHFFFAOYSA-N 0 1 380.366 3.409 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736718588 600327365 /nfs/dbraw/zinc/32/73/65/600327365.db2.gz SLVAZTVKWSYGRF-HNNXBMFYSA-N 0 1 390.430 3.461 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736718588 600327369 /nfs/dbraw/zinc/32/73/69/600327369.db2.gz SLVAZTVKWSYGRF-HNNXBMFYSA-N 0 1 390.430 3.461 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(F)c1 ZINC000739718755 600327954 /nfs/dbraw/zinc/32/79/54/600327954.db2.gz LTUNALQSYBFUPM-UHFFFAOYSA-N 0 1 384.329 3.158 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(F)c(F)c1 ZINC000739718755 600327956 /nfs/dbraw/zinc/32/79/56/600327956.db2.gz LTUNALQSYBFUPM-UHFFFAOYSA-N 0 1 384.329 3.158 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@H]1C ZINC000736776000 600328019 /nfs/dbraw/zinc/32/80/19/600328019.db2.gz POGSYISVKYLEGO-GLJUWKHASA-N 0 1 382.451 3.182 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@H]1C ZINC000736776000 600328023 /nfs/dbraw/zinc/32/80/23/600328023.db2.gz POGSYISVKYLEGO-GLJUWKHASA-N 0 1 382.451 3.182 20 0 GGADMN C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736825529 600328158 /nfs/dbraw/zinc/32/81/58/600328158.db2.gz MXHFWSGKXDKIBB-CQSZACIVSA-N 0 1 388.414 3.219 20 0 GGADMN C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736825529 600328162 /nfs/dbraw/zinc/32/81/62/600328162.db2.gz MXHFWSGKXDKIBB-CQSZACIVSA-N 0 1 388.414 3.219 20 0 GGADMN C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@H]1C ZINC000736776005 600328515 /nfs/dbraw/zinc/32/85/15/600328515.db2.gz POGSYISVKYLEGO-QWQRMKEZSA-N 0 1 382.451 3.182 20 0 GGADMN C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@H]1C ZINC000736776005 600328519 /nfs/dbraw/zinc/32/85/19/600328519.db2.gz POGSYISVKYLEGO-QWQRMKEZSA-N 0 1 382.451 3.182 20 0 GGADMN Cc1ccc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(C)c1 ZINC000738622232 600328730 /nfs/dbraw/zinc/32/87/30/600328730.db2.gz QXWGNBCHNVQZQY-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN Cc1ccc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(C)c1 ZINC000738622232 600328733 /nfs/dbraw/zinc/32/87/33/600328733.db2.gz QXWGNBCHNVQZQY-UHFFFAOYSA-N 0 1 376.403 3.497 20 0 GGADMN O=C([O-])CC[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1ccc(F)c(F)c1 ZINC000739725363 600329059 /nfs/dbraw/zinc/32/90/59/600329059.db2.gz YRFUNCWUTNFHAG-UHFFFAOYSA-N 0 1 388.414 3.221 20 0 GGADMN O=C([O-])c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000740160266 600336101 /nfs/dbraw/zinc/33/61/01/600336101.db2.gz IRCGZAFYRJWAGA-SJLPKXTDSA-N 0 1 375.852 3.267 20 0 GGADMN CN(Cc1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC000737480763 600340551 /nfs/dbraw/zinc/34/05/51/600340551.db2.gz SRSICFKRKSTTEY-UHFFFAOYSA-N 0 1 396.491 3.366 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000736785288 600343095 /nfs/dbraw/zinc/34/30/95/600343095.db2.gz RDIODDHGIRORSU-IEBWSBKVSA-N 0 1 387.524 3.223 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736789215 600343280 /nfs/dbraw/zinc/34/32/80/600343280.db2.gz LEABKQUPHJGCNQ-YLJYHZDGSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736789780 600343298 /nfs/dbraw/zinc/34/32/98/600343298.db2.gz RCZKXBGSTFXHBN-PXNSSMCTSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2)C1 ZINC000736790993 600343428 /nfs/dbraw/zinc/34/34/28/600343428.db2.gz AQXSMVRTHLJUOR-PXNSSMCTSA-N 0 1 399.535 3.315 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2)C1 ZINC000736791008 600343434 /nfs/dbraw/zinc/34/34/34/600343434.db2.gz AQXSMVRTHLJUOR-YLJYHZDGSA-N 0 1 399.535 3.315 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736455470 600343824 /nfs/dbraw/zinc/34/38/24/600343824.db2.gz RYLISKAZFCEROA-UHFFFAOYSA-N 0 1 376.501 3.381 20 0 GGADMN CN(Cc1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000737439441 600344913 /nfs/dbraw/zinc/34/49/13/600344913.db2.gz PMGVUAFVYPCTOC-UHFFFAOYSA-N 0 1 384.480 3.440 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000736598539 600349221 /nfs/dbraw/zinc/34/92/21/600349221.db2.gz LQNVIBCBCAYKSI-ZDUSSCGKSA-N 0 1 388.493 3.084 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000736598539 600349224 /nfs/dbraw/zinc/34/92/24/600349224.db2.gz LQNVIBCBCAYKSI-ZDUSSCGKSA-N 0 1 388.493 3.084 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000739987808 600349978 /nfs/dbraw/zinc/34/99/78/600349978.db2.gz FXGXILMPMFHPHJ-IBGZPJMESA-N 0 1 382.464 3.240 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736725257 600350308 /nfs/dbraw/zinc/35/03/08/600350308.db2.gz UALWOKZHFSKRHL-HNAYVOBHSA-N 0 1 382.464 3.411 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736755754 600351177 /nfs/dbraw/zinc/35/11/77/600351177.db2.gz PIJZHALGVTZVOR-IYBDPMFKSA-N 0 1 376.501 3.334 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736598932 600356543 /nfs/dbraw/zinc/35/65/43/600356543.db2.gz REKMCJBYVWCYHE-HNNXBMFYSA-N 0 1 382.464 3.023 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)c1 ZINC000738708194 600356932 /nfs/dbraw/zinc/35/69/32/600356932.db2.gz KAFGCBIICBBMNZ-UHFFFAOYSA-N 0 1 382.464 3.112 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739988010 600357196 /nfs/dbraw/zinc/35/71/96/600357196.db2.gz JHSZIPVAPPHZFM-LJQANCHMSA-N 0 1 382.464 3.240 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000736218329 600362463 /nfs/dbraw/zinc/36/24/63/600362463.db2.gz NKLVGERLAMMDHN-HNNXBMFYSA-N 0 1 384.501 3.390 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736218329 600362466 /nfs/dbraw/zinc/36/24/66/600362466.db2.gz NKLVGERLAMMDHN-HNNXBMFYSA-N 0 1 384.501 3.390 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C(=O)[O-] ZINC000263346858 600362768 /nfs/dbraw/zinc/36/27/68/600362768.db2.gz OVBFMKJACBIWOI-HNNXBMFYSA-N 0 1 384.480 3.121 20 0 GGADMN C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)[O-] ZINC000736574077 600363347 /nfs/dbraw/zinc/36/33/47/600363347.db2.gz ZOGQLTOIGXEFDI-NXEZZACHSA-N 0 1 383.420 3.068 20 0 GGADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1)C(=O)[O-] ZINC000736571164 600374870 /nfs/dbraw/zinc/37/48/70/600374870.db2.gz JBZKEWGXHSJIDO-CABCVRRESA-N 0 1 387.505 3.353 20 0 GGADMN CN(C(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1)c1ccccc1C(=O)[O-] ZINC000737324276 600375135 /nfs/dbraw/zinc/37/51/35/600375135.db2.gz NCTMKIILZMXEFT-UHFFFAOYSA-N 0 1 396.487 3.276 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000737866447 600377784 /nfs/dbraw/zinc/37/77/84/600377784.db2.gz MNGQZCACWZKEGV-QGZVFWFLSA-N 0 1 377.481 3.179 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)c2)C[C@@H](C)O1 ZINC000659759220 600380534 /nfs/dbraw/zinc/38/05/34/600380534.db2.gz PJJJZYAGOCKFNO-HZPDHXFCSA-N 0 1 398.459 3.012 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000736939989 600381110 /nfs/dbraw/zinc/38/11/10/600381110.db2.gz POISBKXNOCGMQG-OAHLLOKOSA-N 0 1 377.485 3.172 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000738887207 600391773 /nfs/dbraw/zinc/39/17/73/600391773.db2.gz KUWFVDPSISVOHC-UHFFFAOYSA-N 0 1 386.358 3.479 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@H+](CCC(=O)[O-])C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000738584546 600394974 /nfs/dbraw/zinc/39/49/74/600394974.db2.gz XWEYOCRZBMKHFV-LJQANCHMSA-N 0 1 397.475 3.451 20 0 GGADMN O=C([O-])c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000739415912 600398762 /nfs/dbraw/zinc/39/87/62/600398762.db2.gz YWTFUGOELWSHEN-INIZCTEOSA-N 0 1 385.439 3.210 20 0 GGADMN O=C([O-])[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000738526485 600403865 /nfs/dbraw/zinc/40/38/65/600403865.db2.gz SREOPIFCLFFNCF-KRWDZBQOSA-N 0 1 376.815 3.063 20 0 GGADMN Cc1nc(CN2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)oc1C ZINC000738859201 600407155 /nfs/dbraw/zinc/40/71/55/600407155.db2.gz VNHDXLWCVUZBCT-SFHVURJKSA-N 0 1 377.872 3.278 20 0 GGADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736776675 600408303 /nfs/dbraw/zinc/40/83/03/600408303.db2.gz WQXWWLGQEFVAFE-TXEJJXNPSA-N 0 1 385.411 3.371 20 0 GGADMN Cc1[nH]c(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c(C)c1C(=O)[O-] ZINC000738155160 600410130 /nfs/dbraw/zinc/41/01/30/600410130.db2.gz CTWINGJQBDRQED-CHWSQXEVSA-N 0 1 385.464 3.191 20 0 GGADMN O=C([O-])CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCO1 ZINC000739724128 600410861 /nfs/dbraw/zinc/41/08/61/600410861.db2.gz ICPGMHIEONJBBU-OZAJXLCCSA-N 0 1 394.320 3.057 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](CC[S@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000739532100 600411008 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VSCFATRMKACHOV-CQSZACIVSA-N 0 1 384.745 3.317 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCOc2cccc(C(=O)[O-])c2)cn1 ZINC000737448953 600431902 /nfs/dbraw/zinc/43/19/02/600431902.db2.gz JSQNMZIFOGOHRJ-FQEVSTJZSA-N 0 1 383.423 3.358 20 0 GGADMN Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCOc2cccc(C(=O)[O-])c2)cn1 ZINC000737448953 600431904 /nfs/dbraw/zinc/43/19/04/600431904.db2.gz JSQNMZIFOGOHRJ-FQEVSTJZSA-N 0 1 383.423 3.358 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C)[C@H](C)Cc3ccc(C)cc3)nc(=O)c12 ZINC000738584198 600438441 /nfs/dbraw/zinc/43/84/41/600438441.db2.gz HGUUKITXERBQHD-GFCCVEGCSA-N 0 1 385.489 3.363 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C)[C@H](C)Cc3ccc(C)cc3)nc(=O)c12 ZINC000738584198 600438443 /nfs/dbraw/zinc/43/84/43/600438443.db2.gz HGUUKITXERBQHD-GFCCVEGCSA-N 0 1 385.489 3.363 20 0 GGADMN C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736764543 600438958 /nfs/dbraw/zinc/43/89/58/600438958.db2.gz XASUQMNGLRQXAM-LAUBAEHRSA-N 0 1 395.503 3.308 20 0 GGADMN C[N@H+](CC(=O)NCc1ccccc1)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737393914 600439031 /nfs/dbraw/zinc/43/90/31/600439031.db2.gz UJZCAENJUFKKHQ-UHFFFAOYSA-N 0 1 386.448 3.487 20 0 GGADMN C[N@@H+](CC(=O)NCc1ccccc1)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737393914 600439032 /nfs/dbraw/zinc/43/90/32/600439032.db2.gz UJZCAENJUFKKHQ-UHFFFAOYSA-N 0 1 386.448 3.487 20 0 GGADMN C[C@@H]1C[C@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000736763803 600439243 /nfs/dbraw/zinc/43/92/43/600439243.db2.gz VWSDPBSPENATLL-DYESRHJHSA-N 0 1 395.503 3.308 20 0 GGADMN C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736759316 600439257 /nfs/dbraw/zinc/43/92/57/600439257.db2.gz IGPRZWNOEFZDFG-MJGOQNOKSA-N 0 1 395.503 3.308 20 0 GGADMN C[C@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000736763806 600439336 /nfs/dbraw/zinc/43/93/36/600439336.db2.gz VWSDPBSPENATLL-UWJYYQICSA-N 0 1 395.503 3.308 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000236996184 600440377 /nfs/dbraw/zinc/44/03/77/600440377.db2.gz VQLXEIDSZZWFRW-NRFANRHFSA-N 0 1 396.487 3.163 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000236996184 600440379 /nfs/dbraw/zinc/44/03/79/600440379.db2.gz VQLXEIDSZZWFRW-NRFANRHFSA-N 0 1 396.487 3.163 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000736465937 600446287 /nfs/dbraw/zinc/44/62/87/600446287.db2.gz PAELLXRJNBCMAA-NRFANRHFSA-N 0 1 380.488 3.346 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000739285378 600449871 /nfs/dbraw/zinc/44/98/71/600449871.db2.gz GZCOOFBEUOCULB-NFBKMPQASA-N 0 1 395.503 3.102 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736920731 600453216 /nfs/dbraw/zinc/45/32/16/600453216.db2.gz ZOJSKPZEFFFCBY-XIKOKIGWSA-N 0 1 376.403 3.409 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736949673 600454383 /nfs/dbraw/zinc/45/43/83/600454383.db2.gz LMSVNRAPPKIDRH-RTWAWAEBSA-N 0 1 378.472 3.034 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000736952006 600454430 /nfs/dbraw/zinc/45/44/30/600454430.db2.gz YBDQPBCBBWYMRC-HKUYNNGSSA-N 0 1 385.460 3.143 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736722816 600457055 /nfs/dbraw/zinc/45/70/55/600457055.db2.gz DVXCJZLQJYOBCU-UZLBHIALSA-N 0 1 396.491 3.454 20 0 GGADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736794080 600457114 /nfs/dbraw/zinc/45/71/14/600457114.db2.gz MZKKKQWVDDIIJZ-HNNXBMFYSA-N 0 1 376.501 3.129 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740017761 600457528 /nfs/dbraw/zinc/45/75/28/600457528.db2.gz LOOSUQQUMAHXJW-FQEVSTJZSA-N 0 1 396.491 3.283 20 0 GGADMN CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000737259304 600462276 /nfs/dbraw/zinc/46/22/76/600462276.db2.gz OKKOUBVGHVCVIW-MOPGFXCFSA-N 0 1 382.460 3.017 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000737259304 600462278 /nfs/dbraw/zinc/46/22/78/600462278.db2.gz OKKOUBVGHVCVIW-MOPGFXCFSA-N 0 1 382.460 3.017 20 0 GGADMN CCc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)o1 ZINC000737259617 600462535 /nfs/dbraw/zinc/46/25/35/600462535.db2.gz VIFLWMMNUNNESK-WBVHZDCISA-N 0 1 389.448 3.126 20 0 GGADMN C[NH+](C)[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737361929 600464665 /nfs/dbraw/zinc/46/46/65/600464665.db2.gz RYFXVNYWDSYYLI-KRWDZBQOSA-N 0 1 375.856 3.392 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000737866651 600470582 /nfs/dbraw/zinc/47/05/82/600470582.db2.gz NIKWVADAVRVSRG-NZSAHSFTSA-N 0 1 399.487 3.320 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736788945 600474590 /nfs/dbraw/zinc/47/45/90/600474590.db2.gz IRHXBJWWCQZCQW-ZDUSSCGKSA-N 0 1 389.477 3.347 20 0 GGADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000736811611 600481153 /nfs/dbraw/zinc/48/11/53/600481153.db2.gz RTGFHDQGDLHCFL-UMVBOHGHSA-N 0 1 394.447 3.021 20 0 GGADMN O=C([O-])c1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(OC(F)F)c1 ZINC000740145604 600484324 /nfs/dbraw/zinc/48/43/24/600484324.db2.gz ARKQOSNIGRVWLX-UHFFFAOYSA-N 0 1 397.422 3.468 20 0 GGADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000736808927 600484666 /nfs/dbraw/zinc/48/46/66/600484666.db2.gz KXQVKBVZPYMSPY-UMVBOHGHSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)C1 ZINC000262907300 600487927 /nfs/dbraw/zinc/48/79/27/600487927.db2.gz DJTKYFPSMAOOGG-FUHIMQAGSA-N 0 1 387.524 3.171 20 0 GGADMN C[C@@H]1SCC[N@@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000572609380 600490101 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O=C([O-])CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C[C@@H]1CCCO1 ZINC000739724501 600517124 /nfs/dbraw/zinc/51/71/24/600517124.db2.gz JRZGZEDYPRMABM-FQEVSTJZSA-N 0 1 382.460 3.395 20 0 GGADMN Cc1oc(NC(=O)C[NH2+]C(C)(C)CCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822549411 607450046 /nfs/dbraw/zinc/45/00/46/607450046.db2.gz ZNDHOIGZNTXCTO-UHFFFAOYSA-N 0 1 382.468 3.016 20 0 GGADMN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])o2)cc(Br)c1OC ZINC000737190874 600524813 /nfs/dbraw/zinc/52/48/13/600524813.db2.gz DUIOFGOQZKCHDT-UHFFFAOYSA-N 0 1 384.226 3.437 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736788561 600527648 /nfs/dbraw/zinc/52/76/48/600527648.db2.gz FFIBTNUVDJXCNE-HNNXBMFYSA-N 0 1 385.464 3.352 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000736795298 600527954 /nfs/dbraw/zinc/52/79/54/600527954.db2.gz UURKPWYFXYJXPS-HNNXBMFYSA-N 0 1 385.464 3.209 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000738533339 600540496 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KDTIIDOJUDNWNW-LJQANCHMSA-N 0 1 395.459 3.053 20 0 GGADMN CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736358552 600556668 /nfs/dbraw/zinc/55/66/68/600556668.db2.gz KDTIIDOJUDNWNW-LJQANCHMSA-N 0 1 395.459 3.053 20 0 GGADMN CC(C)C[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000736437051 600557754 /nfs/dbraw/zinc/55/77/54/600557754.db2.gz FBRSPRSKPVAULQ-LJQANCHMSA-N 0 1 388.439 3.154 20 0 GGADMN O=C([O-])C1([NH2+]CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CCCC1 ZINC000739307332 600558701 /nfs/dbraw/zinc/55/87/01/600558701.db2.gz MRKIZJULPVGYKP-CQSZACIVSA-N 0 1 387.461 3.006 20 0 GGADMN O=C([O-])C1([NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CCCC1 ZINC000739305908 600558954 /nfs/dbraw/zinc/55/89/54/600558954.db2.gz AOSUOXGCLRIVJE-CQSZACIVSA-N 0 1 387.461 3.006 20 0 GGADMN CC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736861739 600561581 /nfs/dbraw/zinc/56/15/81/600561581.db2.gz UREHVONZHPXBFX-DYESRHJHSA-N 0 1 383.448 3.109 20 0 GGADMN CC[C@@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)[O-] ZINC000736861470 600563282 /nfs/dbraw/zinc/56/32/82/600563282.db2.gz NYLXJWWDTXLIOK-SCLBCKFNSA-N 0 1 391.518 3.330 20 0 GGADMN CC[C@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(=O)[O-] ZINC000736861471 600563825 /nfs/dbraw/zinc/56/38/25/600563825.db2.gz NYLXJWWDTXLIOK-UGSOOPFHSA-N 0 1 391.518 3.330 20 0 GGADMN O=C([O-])C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000263239502 600564788 /nfs/dbraw/zinc/56/47/88/600564788.db2.gz NPCXRYDCSOWUIF-SFHVURJKSA-N 0 1 393.915 3.201 20 0 GGADMN O=C([O-])C1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000263239502 600564791 /nfs/dbraw/zinc/56/47/91/600564791.db2.gz NPCXRYDCSOWUIF-SFHVURJKSA-N 0 1 393.915 3.201 20 0 GGADMN O=C([O-])c1n[nH]c2ccc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cc21 ZINC000740278314 600568766 /nfs/dbraw/zinc/56/87/66/600568766.db2.gz SJJNMCKRABYHNB-UHFFFAOYSA-N 0 1 393.447 3.001 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@@H](CC(C)C)NC(=O)[O-])CCC[N@H+]2C)cc1 ZINC000737981454 600571956 /nfs/dbraw/zinc/57/19/56/600571956.db2.gz LCOIYBXIOSGWSO-QXAKKESOSA-N 0 1 392.496 3.304 20 0 GGADMN C[N@H+]1CCC[C@@H](COC(=O)CCNC(=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000737516040 600575672 /nfs/dbraw/zinc/57/56/72/600575672.db2.gz ZODLWVBGHQXDMT-BBRMVZONSA-N 0 1 388.386 3.289 20 0 GGADMN Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@@H](C)[N@H+](C)Cc3ccccc3)nc2n1 ZINC000738340824 600587767 /nfs/dbraw/zinc/58/77/67/600587767.db2.gz BOUVXVCWAQTWOF-GFCCVEGCSA-N 0 1 384.461 3.157 20 0 GGADMN Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@@H](C)[N@@H+](C)Cc3ccccc3)nc2n1 ZINC000738340824 600587770 /nfs/dbraw/zinc/58/77/70/600587770.db2.gz BOUVXVCWAQTWOF-GFCCVEGCSA-N 0 1 384.461 3.157 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000736812806 600598198 /nfs/dbraw/zinc/59/81/98/600598198.db2.gz WNYZFBJBMKYEET-LZJOCLMNSA-N 0 1 396.487 3.194 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000738894081 600605011 /nfs/dbraw/zinc/60/50/11/600605011.db2.gz HUUIMPUYMJCEBE-FQEVSTJZSA-N 0 1 379.460 3.185 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000740024664 600613118 /nfs/dbraw/zinc/61/31/18/600613118.db2.gz JCHYPLGFMYESHC-UHFFFAOYSA-N 0 1 383.448 3.011 20 0 GGADMN COC1CCC([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000737734102 600629038 /nfs/dbraw/zinc/62/90/38/600629038.db2.gz NYHTVBFKGAQNAB-IYXRBSQSSA-N 0 1 394.537 3.399 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000740024352 600630530 /nfs/dbraw/zinc/63/05/30/600630530.db2.gz DEZMQRCXUXPTLM-UHFFFAOYSA-N 0 1 385.439 3.444 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000738253870 600638114 /nfs/dbraw/zinc/63/81/14/600638114.db2.gz RWUOCUNXCWGNNY-UHFFFAOYSA-N 0 1 386.677 3.438 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000738198202 600639824 /nfs/dbraw/zinc/63/98/24/600639824.db2.gz ACNKMANHJQGLAU-YWZLYKJASA-N 0 1 398.528 3.487 20 0 GGADMN CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000738198202 600639826 /nfs/dbraw/zinc/63/98/26/600639826.db2.gz ACNKMANHJQGLAU-YWZLYKJASA-N 0 1 398.528 3.487 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])c1 ZINC000737492880 600664731 /nfs/dbraw/zinc/66/47/31/600664731.db2.gz XQPWGEWOWXSOOP-HXUWFJFHSA-N 0 1 398.528 3.351 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1F ZINC000740004915 600682711 /nfs/dbraw/zinc/68/27/11/600682711.db2.gz ANOUYVCDXJQYEF-INIZCTEOSA-N 0 1 387.411 3.145 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1F ZINC000740004915 600682712 /nfs/dbraw/zinc/68/27/12/600682712.db2.gz ANOUYVCDXJQYEF-INIZCTEOSA-N 0 1 387.411 3.145 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000832916048 600683566 /nfs/dbraw/zinc/68/35/66/600683566.db2.gz KOCFXQWBAIGYNC-CRAIPNDOSA-N 0 1 390.480 3.074 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736814286 600692501 /nfs/dbraw/zinc/69/25/01/600692501.db2.gz JVXXEUFXXBCCKJ-SFHVURJKSA-N 0 1 380.488 3.440 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000581494644 600710799 /nfs/dbraw/zinc/71/07/99/600710799.db2.gz VXIBLYYQHYJOOV-KRWDZBQOSA-N 0 1 383.835 3.444 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000565107741 600710840 /nfs/dbraw/zinc/71/08/40/600710840.db2.gz WSSVSJKULQMDRQ-KRWDZBQOSA-N 0 1 383.835 3.444 20 0 GGADMN CC(C)OCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000736799926 600716413 /nfs/dbraw/zinc/71/64/13/600716413.db2.gz AQUGMCHQBIDKNC-CYBMUJFWSA-N 0 1 382.526 3.257 20 0 GGADMN CC(C)OCCC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000736799926 600716415 /nfs/dbraw/zinc/71/64/15/600716415.db2.gz AQUGMCHQBIDKNC-CYBMUJFWSA-N 0 1 382.526 3.257 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C1 ZINC000830149352 600718205 /nfs/dbraw/zinc/71/82/05/600718205.db2.gz GWMRMCYSKYHQKY-GHMZBOCLSA-N 0 1 376.320 3.216 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000830722627 600718827 /nfs/dbraw/zinc/71/88/27/600718827.db2.gz GFKZQBZNANUSOP-SFHVURJKSA-N 0 1 378.476 3.146 20 0 GGADMN Cc1ccccc1-c1nn(C[N@H+](CCC(=O)[O-])C2CCOCC2)c(=S)o1 ZINC000832974207 600719973 /nfs/dbraw/zinc/71/99/73/600719973.db2.gz GYCKJZBABAZLMF-UHFFFAOYSA-N 0 1 377.466 3.094 20 0 GGADMN Cc1ccccc1-c1nn(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(=S)o1 ZINC000832974207 600719974 /nfs/dbraw/zinc/71/99/74/600719974.db2.gz GYCKJZBABAZLMF-UHFFFAOYSA-N 0 1 377.466 3.094 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000738532910 600720724 /nfs/dbraw/zinc/72/07/24/600720724.db2.gz PFAVUJVIYAKPMP-SFHVURJKSA-N 0 1 395.503 3.228 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1c(=S)snc1-c1ccccc1)C1CCOCC1 ZINC000833236206 600720991 /nfs/dbraw/zinc/72/09/91/600720991.db2.gz REOCPCYIUDOASF-UHFFFAOYSA-N 0 1 379.507 3.254 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736812442 600729189 /nfs/dbraw/zinc/72/91/89/600729189.db2.gz ACNRVJFFXAGZRV-GOSISDBHSA-N 0 1 395.503 3.233 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736812444 600729237 /nfs/dbraw/zinc/72/92/37/600729237.db2.gz ACNRVJFFXAGZRV-SFHVURJKSA-N 0 1 395.503 3.233 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736814770 600742260 /nfs/dbraw/zinc/74/22/60/600742260.db2.gz LPUDUDPMSIWLMN-KRWDZBQOSA-N 0 1 397.475 3.278 20 0 GGADMN O=C([O-])[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000833166704 600748042 /nfs/dbraw/zinc/74/80/42/600748042.db2.gz ISWWXYSQVKMPRL-MRXNPFEDSA-N 0 1 387.307 3.354 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[NH+](Cc4ccsc4)CC3)c12 ZINC000563206745 600757107 /nfs/dbraw/zinc/75/71/07/600757107.db2.gz MRESEHHAHNBURU-UHFFFAOYSA-N 0 1 388.518 3.390 20 0 GGADMN C[C@](O)(CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1)C(=O)[O-] ZINC000736669403 600761582 /nfs/dbraw/zinc/76/15/82/600761582.db2.gz AGTKZUWHUHQHPV-IBGZPJMESA-N 0 1 394.924 3.022 20 0 GGADMN C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1cccs1 ZINC000571651292 600763151 /nfs/dbraw/zinc/76/31/51/600763151.db2.gz RAZXBRZLFSHSFQ-WMZOPIPTSA-N 0 1 387.505 3.329 20 0 GGADMN CC(C)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(=O)[O-])c1 ZINC000736514707 600770441 /nfs/dbraw/zinc/77/04/41/600770441.db2.gz XCSIOISWRPNXEZ-FQEVSTJZSA-N 0 1 382.460 3.348 20 0 GGADMN CC(C)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(=O)[O-])c1 ZINC000736514707 600770442 /nfs/dbraw/zinc/77/04/42/600770442.db2.gz XCSIOISWRPNXEZ-FQEVSTJZSA-N 0 1 382.460 3.348 20 0 GGADMN Cc1ccc(N2CCC[N@@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)cc1 ZINC000832941131 600794700 /nfs/dbraw/zinc/79/47/00/600794700.db2.gz ZRYNMLLFVOCIDN-GOSISDBHSA-N 0 1 399.516 3.072 20 0 GGADMN Cc1ccc(N2CCC[N@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)cc1 ZINC000832941131 600794702 /nfs/dbraw/zinc/79/47/02/600794702.db2.gz ZRYNMLLFVOCIDN-GOSISDBHSA-N 0 1 399.516 3.072 20 0 GGADMN Cc1cccc(NC2CC[NH+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738736511 600796581 /nfs/dbraw/zinc/79/65/81/600796581.db2.gz OGGQUSXCYIPROS-UHFFFAOYSA-N 0 1 396.491 3.278 20 0 GGADMN O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC000833335895 600797891 /nfs/dbraw/zinc/79/78/91/600797891.db2.gz GFDVDNXZRUJVLN-PBHICJAKSA-N 0 1 388.464 3.255 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[NH2+][C@H](Cn2cccn2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738237909 600799803 /nfs/dbraw/zinc/79/98/03/600799803.db2.gz XXQZXBIGVVKKLZ-DOTOQJQBSA-N 0 1 380.448 3.129 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](Cn2cccn2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738237915 600799985 /nfs/dbraw/zinc/79/99/85/600799985.db2.gz XXQZXBIGVVKKLZ-WBVHZDCISA-N 0 1 380.448 3.129 20 0 GGADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000830643564 600800011 /nfs/dbraw/zinc/80/00/11/600800011.db2.gz JQVNIURMAGGEMT-ZWKOTPCHSA-N 0 1 399.516 3.455 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738533183 600801625 /nfs/dbraw/zinc/80/16/25/600801625.db2.gz OBRZIKCHWLZMGM-OXQOHEQNSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738533183 600801627 /nfs/dbraw/zinc/80/16/27/600801627.db2.gz OBRZIKCHWLZMGM-OXQOHEQNSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1cc(COC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000738393000 600803261 /nfs/dbraw/zinc/80/32/61/600803261.db2.gz RAINPEHPZQQPAP-HNNXBMFYSA-N 0 1 375.396 3.381 20 0 GGADMN Cc1cc(COC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000738393002 600803581 /nfs/dbraw/zinc/80/35/81/600803581.db2.gz RAINPEHPZQQPAP-OAHLLOKOSA-N 0 1 375.396 3.381 20 0 GGADMN Cc1c(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000738303338 600809441 /nfs/dbraw/zinc/80/94/41/600809441.db2.gz HHCNOZLKNZBBEU-JXFKEZNVSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1c(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000738303338 600809443 /nfs/dbraw/zinc/80/94/43/600809443.db2.gz HHCNOZLKNZBBEU-JXFKEZNVSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1cc(NC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C(=O)[O-] ZINC000738442287 600810745 /nfs/dbraw/zinc/81/07/45/600810745.db2.gz OWQSQTGITRKCAR-OXQOHEQNSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1cc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C(=O)[O-] ZINC000738442287 600810748 /nfs/dbraw/zinc/81/07/48/600810748.db2.gz OWQSQTGITRKCAR-OXQOHEQNSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000832916766 600811115 /nfs/dbraw/zinc/81/11/15/600811115.db2.gz PGWKYGGNONNWKJ-KRWDZBQOSA-N 0 1 396.491 3.025 20 0 GGADMN CCCNC(=O)C1CC[NH+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000829507630 600816097 /nfs/dbraw/zinc/81/60/97/600816097.db2.gz CSFWDPQTRVCCJR-UHFFFAOYSA-N 0 1 387.505 3.247 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000568060582 600816659 /nfs/dbraw/zinc/81/66/59/600816659.db2.gz HNEZXUKSMNZGFV-CQSZACIVSA-N 0 1 377.824 3.189 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CCc1ccc3c(c1)CCO3)CC2 ZINC000570976250 600816806 /nfs/dbraw/zinc/81/68/06/600816806.db2.gz SFWWGYLBVSNIJY-LJQANCHMSA-N 0 1 397.471 3.255 20 0 GGADMN CCCC(=O)NC1CC[NH+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000829177104 600817267 /nfs/dbraw/zinc/81/72/67/600817267.db2.gz HWZNHHKYKKQZER-UHFFFAOYSA-N 0 1 387.505 3.389 20 0 GGADMN C[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830777119 600819158 /nfs/dbraw/zinc/81/91/58/600819158.db2.gz POOPNJUJVNWXQL-MRXNPFEDSA-N 0 1 392.452 3.092 20 0 GGADMN COc1ccc(CCC[N@@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832300096 600820011 /nfs/dbraw/zinc/82/00/11/600820011.db2.gz YOLLUXBSKBEQEE-QGZVFWFLSA-N 0 1 388.489 3.125 20 0 GGADMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000829507900 600820384 /nfs/dbraw/zinc/82/03/84/600820384.db2.gz KOXSYQJYXDGDGE-INIZCTEOSA-N 0 1 387.505 3.247 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1ccncc1Cl)CC2 ZINC000629359939 600820743 /nfs/dbraw/zinc/82/07/43/600820743.db2.gz DXMSWOWIRLONCE-INIZCTEOSA-N 0 1 376.840 3.326 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccncc1Cl)CC2 ZINC000629359939 600820746 /nfs/dbraw/zinc/82/07/46/600820746.db2.gz DXMSWOWIRLONCE-INIZCTEOSA-N 0 1 376.840 3.326 20 0 GGADMN CCn1cnnc1[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000830436170 600821907 /nfs/dbraw/zinc/82/19/07/600821907.db2.gz XTOUWECIVZDFQV-MRXNPFEDSA-N 0 1 397.504 3.499 20 0 GGADMN CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000830436170 600821909 /nfs/dbraw/zinc/82/19/09/600821909.db2.gz XTOUWECIVZDFQV-MRXNPFEDSA-N 0 1 397.504 3.499 20 0 GGADMN Cc1nc(C[C@@H]2CCC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)no1 ZINC000832999666 600825849 /nfs/dbraw/zinc/82/58/49/600825849.db2.gz YIYUTJZUUKWCRO-ZDUSSCGKSA-N 0 1 379.844 3.063 20 0 GGADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(Nc4cccnn4)CC3)cs2)c1 ZINC000833326940 600827036 /nfs/dbraw/zinc/82/70/36/600827036.db2.gz XXPLYODTRQVRNQ-UHFFFAOYSA-N 0 1 395.488 3.375 20 0 GGADMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)C2)n1 ZINC000832995323 600827292 /nfs/dbraw/zinc/82/72/92/600827292.db2.gz CZTQVLCWSGRIHB-OAHLLOKOSA-N 0 1 392.887 3.038 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000826135057 600829222 /nfs/dbraw/zinc/82/92/22/600829222.db2.gz UEUWAXWTIPIYLO-CQSZACIVSA-N 0 1 396.915 3.291 20 0 GGADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C(=O)[O-])cc2)c1 ZINC000830644202 600835696 /nfs/dbraw/zinc/83/56/96/600835696.db2.gz VDAXXODXAKYKLT-FPOVZHCZSA-N 0 1 384.476 3.028 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000828185537 600836523 /nfs/dbraw/zinc/83/65/23/600836523.db2.gz XUGGLGFPWKNWTO-IPHXSNPTSA-N 0 1 396.462 3.247 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000828185539 600836662 /nfs/dbraw/zinc/83/66/62/600836662.db2.gz XUGGLGFPWKNWTO-NQERJWCQSA-N 0 1 396.462 3.247 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC000577500547 600839948 /nfs/dbraw/zinc/83/99/48/600839948.db2.gz WBANUCBFULXGCR-OAQYLSRUSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC000577500547 600839952 /nfs/dbraw/zinc/83/99/52/600839952.db2.gz WBANUCBFULXGCR-OAQYLSRUSA-N 0 1 378.472 3.109 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000566074734 600844526 /nfs/dbraw/zinc/84/45/26/600844526.db2.gz QUDLETWYZFDBBQ-TUNNFDKTSA-N 0 1 383.488 3.259 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000263581001 600846720 /nfs/dbraw/zinc/84/67/20/600846720.db2.gz WOZMDIUAJXCLPJ-OAHLLOKOSA-N 0 1 386.879 3.314 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000263581001 600846721 /nfs/dbraw/zinc/84/67/21/600846721.db2.gz WOZMDIUAJXCLPJ-OAHLLOKOSA-N 0 1 386.879 3.314 20 0 GGADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000516932561 600846825 /nfs/dbraw/zinc/84/68/25/600846825.db2.gz UNKKMVVPYHJSIF-AEFFLSMTSA-N 0 1 387.501 3.239 20 0 GGADMN Cc1ccc([C@@H](OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924054 600846860 /nfs/dbraw/zinc/84/68/60/600846860.db2.gz FGDZHSOZIIMHTP-FKBYEOEOSA-N 0 1 383.488 3.259 20 0 GGADMN CN(C(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000830478565 600847354 /nfs/dbraw/zinc/84/73/54/600847354.db2.gz SZWGNAXOPPKLPV-INIZCTEOSA-N 0 1 384.501 3.462 20 0 GGADMN CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829044149 600848660 /nfs/dbraw/zinc/84/86/60/600848660.db2.gz MRHHORILICXWKB-RNODOKPDSA-N 0 1 376.453 3.011 20 0 GGADMN CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829044151 600848725 /nfs/dbraw/zinc/84/87/25/600848725.db2.gz MRHHORILICXWKB-ZUOKHONESA-N 0 1 376.453 3.011 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)CC2)[nH+]c1 ZINC000738616509 600849197 /nfs/dbraw/zinc/84/91/97/600849197.db2.gz RDWHCMMSYGDILO-KRWDZBQOSA-N 0 1 379.460 3.212 20 0 GGADMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CCOCC1 ZINC000517944359 600854017 /nfs/dbraw/zinc/85/40/17/600854017.db2.gz YCSBPGZQHWKYJE-UHFFFAOYSA-N 0 1 390.867 3.380 20 0 GGADMN COc1ccc(-c2nc(C[N@@H+](CCC(=O)[O-])C3CCOCC3)cs2)cc1 ZINC000566620046 600858845 /nfs/dbraw/zinc/85/88/45/600858845.db2.gz YSPVPIQPNFKEKA-UHFFFAOYSA-N 0 1 376.478 3.274 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C1CCOCC1 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ZMHXJAIIUOTKQD-JOCHJYFZSA-N 0 1 389.455 3.026 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CCCCC3)cc(C(=O)[O-])c1 ZINC000737659843 600975833 /nfs/dbraw/zinc/97/58/33/600975833.db2.gz KDQIURFNVVSNGY-AWEZNQCLSA-N 0 1 388.464 3.155 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000738582566 600979401 /nfs/dbraw/zinc/97/94/01/600979401.db2.gz KYUJIMFYXFKIKT-MOPGFXCFSA-N 0 1 382.460 3.153 20 0 GGADMN Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000738582566 600979404 /nfs/dbraw/zinc/97/94/04/600979404.db2.gz KYUJIMFYXFKIKT-MOPGFXCFSA-N 0 1 382.460 3.153 20 0 GGADMN C[C@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)[N@@H+](C)Cc1ccccc1 ZINC000825977320 600979656 /nfs/dbraw/zinc/97/96/56/600979656.db2.gz CWZHGIHUMCEDDV-OAHLLOKOSA-N 0 1 390.430 3.289 20 0 GGADMN CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])C12CCCCC2 ZINC000737158867 600980216 /nfs/dbraw/zinc/98/02/16/600980216.db2.gz UJLCQASVDSFLPF-RBUKOAKNSA-N 0 1 388.508 3.407 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000738531552 600981487 /nfs/dbraw/zinc/98/14/87/600981487.db2.gz ISHHXDSGFGOMFE-UHFFFAOYSA-N 0 1 381.476 3.364 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000738531552 600981490 /nfs/dbraw/zinc/98/14/90/600981490.db2.gz ISHHXDSGFGOMFE-UHFFFAOYSA-N 0 1 381.476 3.364 20 0 GGADMN C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC(=O)Nc1cccc(F)c1 ZINC000830792601 600982836 /nfs/dbraw/zinc/98/28/36/600982836.db2.gz WYXSWRIUMSCVIZ-UHFFFAOYSA-N 0 1 380.803 3.127 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC(=O)Nc1cccc(F)c1 ZINC000830792601 600982837 /nfs/dbraw/zinc/98/28/37/600982837.db2.gz WYXSWRIUMSCVIZ-UHFFFAOYSA-N 0 1 380.803 3.127 20 0 GGADMN CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830472730 600984205 /nfs/dbraw/zinc/98/42/05/600984205.db2.gz YTCKNGRMYFMBOT-OAQYLSRUSA-N 0 1 380.488 3.440 20 0 GGADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000829275649 600988457 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O=C([O-])[C@H]1CC12CC[NH+](Cc1csc(CC(=O)Nc3ccccc3)n1)CC2 ZINC000833119895 601009822 /nfs/dbraw/zinc/00/98/22/601009822.db2.gz VALXRUOFPBQKGK-MRXNPFEDSA-N 0 1 385.489 3.011 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000833107257 601012640 /nfs/dbraw/zinc/01/26/40/601012640.db2.gz UMLBMJKRGPGQLW-LLVKDONJSA-N 0 1 394.880 3.019 20 0 GGADMN O=C([O-])c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000833107257 601012642 /nfs/dbraw/zinc/01/26/42/601012642.db2.gz UMLBMJKRGPGQLW-LLVKDONJSA-N 0 1 394.880 3.019 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000833172996 601014731 /nfs/dbraw/zinc/01/47/31/601014731.db2.gz YUPVXLQWCWKSJS-WMLDXEAASA-N 0 1 387.307 3.306 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221112 601017008 /nfs/dbraw/zinc/01/70/08/601017008.db2.gz BFNYOXHRFZEBNY-YLJYHZDGSA-N 0 1 394.512 3.065 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221112 601017010 /nfs/dbraw/zinc/01/70/10/601017010.db2.gz BFNYOXHRFZEBNY-YLJYHZDGSA-N 0 1 394.512 3.065 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221110 601017138 /nfs/dbraw/zinc/01/71/38/601017138.db2.gz BFNYOXHRFZEBNY-PXNSSMCTSA-N 0 1 394.512 3.065 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000833221110 601017141 /nfs/dbraw/zinc/01/71/41/601017141.db2.gz BFNYOXHRFZEBNY-PXNSSMCTSA-N 0 1 394.512 3.065 20 0 GGADMN C[C@H]1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828276386 601017843 /nfs/dbraw/zinc/01/78/43/601017843.db2.gz BRJUZODJNVTVSS-KRWDZBQOSA-N 0 1 397.475 3.278 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC000736873867 601018096 /nfs/dbraw/zinc/01/80/96/601018096.db2.gz BVRZRRAGCWNMLD-CVAIRZPRSA-N 0 1 376.497 3.228 20 0 GGADMN C[C@@H](O)CC[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000827795831 601018060 /nfs/dbraw/zinc/01/80/60/601018060.db2.gz DIBADRCKHHAWSL-LLVKDONJSA-N 0 1 396.896 3.408 20 0 GGADMN C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000827795831 601018063 /nfs/dbraw/zinc/01/80/63/601018063.db2.gz DIBADRCKHHAWSL-LLVKDONJSA-N 0 1 396.896 3.408 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218354 601029710 /nfs/dbraw/zinc/02/97/10/601029710.db2.gz NVWWRIAKJGLWLD-RDJZCZTQSA-N 0 1 399.516 3.498 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1)oc1ccccc12 ZINC000263561522 601030502 /nfs/dbraw/zinc/03/05/02/601030502.db2.gz CEUVCXOUBCXHIK-ZDUSSCGKSA-N 0 1 382.416 3.330 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)oc1ccccc12 ZINC000263561522 601030505 /nfs/dbraw/zinc/03/05/05/601030505.db2.gz CEUVCXOUBCXHIK-ZDUSSCGKSA-N 0 1 382.416 3.330 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000830718256 601031755 /nfs/dbraw/zinc/03/17/55/601031755.db2.gz PEACFAAGVDDYFV-LJQANCHMSA-N 0 1 381.476 3.300 20 0 GGADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000164646883 601033517 /nfs/dbraw/zinc/03/35/17/601033517.db2.gz FJVPEHLYHXSYIT-OXJNMPFZSA-N 0 1 384.501 3.019 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CCC[C@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000738350909 601033637 /nfs/dbraw/zinc/03/36/37/601033637.db2.gz FVKIFEULIKLXQJ-HNNXBMFYSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CCC[C@H](C(=O)[O-])C3)n2)c(C)c1 ZINC000738350909 601033640 /nfs/dbraw/zinc/03/36/40/601033640.db2.gz FVKIFEULIKLXQJ-HNNXBMFYSA-N 0 1 387.505 3.470 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000830853105 601035351 /nfs/dbraw/zinc/03/53/51/601035351.db2.gz XIKXDXRPEKEKCA-LJQANCHMSA-N 0 1 397.475 3.278 20 0 GGADMN O=C([O-])c1cccc(NC(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000833103775 601041700 /nfs/dbraw/zinc/04/17/00/601041700.db2.gz FTUDXROGHLUYSR-HXUWFJFHSA-N 0 1 382.460 3.085 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843029 601041858 /nfs/dbraw/zinc/04/18/58/601041858.db2.gz OUIRFONKVGQCEO-FUHWJXTLSA-N 0 1 383.492 3.107 20 0 GGADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000830755825 601041955 /nfs/dbraw/zinc/04/19/55/601041955.db2.gz FQMRHVBXMPGLHL-KRWDZBQOSA-N 0 1 379.526 3.343 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000832915268 601041972 /nfs/dbraw/zinc/04/19/72/601041972.db2.gz IKEVPTJGPYAFCM-NRFANRHFSA-N 0 1 396.487 3.394 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843057 601042217 /nfs/dbraw/zinc/04/22/17/601042217.db2.gz OUIRFONKVGQCEO-WMZOPIPTSA-N 0 1 383.492 3.107 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000832917515 601043977 /nfs/dbraw/zinc/04/39/77/601043977.db2.gz YHNXGAUVNVDKMQ-UYAOXDASSA-N 0 1 382.460 3.220 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccccc3)nc2c1 ZINC000833325077 601044609 /nfs/dbraw/zinc/04/46/09/601044609.db2.gz JRZXRWQSSMUPOK-APWZRJJASA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccccc3)nc2c1 ZINC000833325077 601044612 /nfs/dbraw/zinc/04/46/12/601044612.db2.gz JRZXRWQSSMUPOK-APWZRJJASA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccccc3)nc2c1 ZINC000833325105 601044882 /nfs/dbraw/zinc/04/48/82/601044882.db2.gz JRZXRWQSSMUPOK-QFBILLFUSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccccc3)nc2c1 ZINC000833325105 601044884 /nfs/dbraw/zinc/04/48/84/601044884.db2.gz JRZXRWQSSMUPOK-QFBILLFUSA-N 0 1 393.443 3.122 20 0 GGADMN CCc1cc2oc(=O)cc(C[N@@H+](CC(=O)[O-])C3CCOCC3)c2cc1Cl ZINC000830229594 601047436 /nfs/dbraw/zinc/04/74/36/601047436.db2.gz ZZLRTKJXNCGLSY-UHFFFAOYSA-N 0 1 379.840 3.074 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842788 601047587 /nfs/dbraw/zinc/04/75/87/601047587.db2.gz JKNCDHHJLGYTFD-MAUKXSAKSA-N 0 1 397.519 3.497 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832842789 601047770 /nfs/dbraw/zinc/04/77/70/601047770.db2.gz JKNCDHHJLGYTFD-QAPCUYQASA-N 0 1 397.519 3.497 20 0 GGADMN Cc1cc(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1Cc1ccccc1 ZINC000832858974 601049503 /nfs/dbraw/zinc/04/95/03/601049503.db2.gz MMINUHVIDZEFMT-UHFFFAOYSA-N 0 1 398.503 3.292 20 0 GGADMN Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833010943 601049553 /nfs/dbraw/zinc/04/95/53/601049553.db2.gz OKZACGLSSODIGG-UHFFFAOYSA-N 0 1 382.367 3.093 20 0 GGADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC4(C3)CCOCC4)c2C(=O)[O-])C1 ZINC000828311157 601051456 /nfs/dbraw/zinc/05/14/56/601051456.db2.gz USGMABAPVLUJPR-ZDUSSCGKSA-N 0 1 392.521 3.012 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000830717753 601051549 /nfs/dbraw/zinc/05/15/49/601051549.db2.gz HHNXSIABQJVOFZ-LJQANCHMSA-N 0 1 396.491 3.440 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000830852269 601053098 /nfs/dbraw/zinc/05/30/98/601053098.db2.gz MIGRBJYHSCOYNH-IBGZPJMESA-N 0 1 382.464 3.192 20 0 GGADMN C[N@@H+](Cc1ccccc1CNC(=O)Nc1ccn(CC(=O)[O-])n1)C1CCCCC1 ZINC000830857104 601060298 /nfs/dbraw/zinc/06/02/98/601060298.db2.gz SUPVJIIZCQTHBX-UHFFFAOYSA-N 0 1 399.495 3.054 20 0 GGADMN COc1cc(C(=O)[O-])cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1OC ZINC000831904323 601081698 /nfs/dbraw/zinc/08/16/98/601081698.db2.gz WJVTWMNALQWKHR-CQSZACIVSA-N 0 1 393.484 3.178 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000738480031 601081730 /nfs/dbraw/zinc/08/17/30/601081730.db2.gz UCBSTRCFQPTXQI-ICSRJNTNSA-N 0 1 384.451 3.022 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000630225979 601085824 /nfs/dbraw/zinc/08/58/24/601085824.db2.gz WOBZYJYOPGNEOX-ZDUSSCGKSA-N 0 1 399.472 3.177 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])CC2)[nH+]c1 ZINC000832936579 601086805 /nfs/dbraw/zinc/08/68/05/601086805.db2.gz LLLQTFKMIDEUEN-VQTJNVASSA-N 0 1 399.535 3.488 20 0 GGADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000828412541 601087882 /nfs/dbraw/zinc/08/78/82/601087882.db2.gz NMKUJTSKVFTCSU-HUUCEWRRSA-N 0 1 391.512 3.058 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000630224843 601088936 /nfs/dbraw/zinc/08/89/36/601088936.db2.gz QALWTMXTPDYDNO-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@@H](C[N@@H+](Cc1ccccc1)CN1C(=O)CC2(CCC(C)CC2)C1=O)C(=O)[O-] ZINC000736773817 601089508 /nfs/dbraw/zinc/08/95/08/601089508.db2.gz XOMRPPYCAKOTIP-JQHMZKTJSA-N 0 1 386.492 3.122 20 0 GGADMN C[C@@H](C[N@H+](Cc1ccccc1)CN1C(=O)CC2(CCC(C)CC2)C1=O)C(=O)[O-] ZINC000736773817 601089510 /nfs/dbraw/zinc/08/95/10/601089510.db2.gz XOMRPPYCAKOTIP-JQHMZKTJSA-N 0 1 386.492 3.122 20 0 GGADMN Cc1cc(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)sc1-c1ccc(F)cc1 ZINC000630227088 601097027 /nfs/dbraw/zinc/09/70/27/601097027.db2.gz ZAPIBKFLFDVJSO-CQSZACIVSA-N 0 1 390.480 3.484 20 0 GGADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2occc2CSc2ccccc2)CC1 ZINC000630225391 601099387 /nfs/dbraw/zinc/09/93/87/601099387.db2.gz UWPQDWUBKRSZPG-HNNXBMFYSA-N 0 1 388.489 3.193 20 0 GGADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000826800928 601106289 /nfs/dbraw/zinc/10/62/89/601106289.db2.gz RNMAPQZWONNOGN-MAUKXSAKSA-N 0 1 377.485 3.028 20 0 GGADMN CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1S[C@H](C)C(=O)[O-])CC2 ZINC000827915566 601107311 /nfs/dbraw/zinc/10/73/11/601107311.db2.gz OWIQBEXPIFVJDE-OAGGEKHMSA-N 0 1 376.522 3.339 20 0 GGADMN O=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccncc2Cl)CC1 ZINC000833171347 601113896 /nfs/dbraw/zinc/11/38/96/601113896.db2.gz ONMAAZZTTXMOSC-QGZVFWFLSA-N 0 1 380.275 3.332 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000635338534 601114147 /nfs/dbraw/zinc/11/41/47/601114147.db2.gz GPXCASHHSKMXOQ-SFHVURJKSA-N 0 1 385.464 3.119 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000736130478 601114536 /nfs/dbraw/zinc/11/45/36/601114536.db2.gz KZZVIXVHWFPBOY-OAHLLOKOSA-N 0 1 389.452 3.021 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000736130478 601114538 /nfs/dbraw/zinc/11/45/38/601114538.db2.gz KZZVIXVHWFPBOY-OAHLLOKOSA-N 0 1 389.452 3.021 20 0 GGADMN CC[C@H]1C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@H]1c1ccccc1 ZINC000829151889 601114794 /nfs/dbraw/zinc/11/47/94/601114794.db2.gz UEWVVXOAFWWIOQ-WMLDXEAASA-N 0 1 387.505 3.224 20 0 GGADMN CC[C@H]1C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@H]1c1ccccc1 ZINC000829151889 601114798 /nfs/dbraw/zinc/11/47/98/601114798.db2.gz UEWVVXOAFWWIOQ-WMLDXEAASA-N 0 1 387.505 3.224 20 0 GGADMN C[C@H]1c2ccccc2C[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000828527907 601117223 /nfs/dbraw/zinc/11/72/23/601117223.db2.gz QELVDGISXAUURL-XOBRGWDASA-N 0 1 377.444 3.298 20 0 GGADMN C[C@H]1c2ccccc2C[N@@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000828527907 601117224 /nfs/dbraw/zinc/11/72/24/601117224.db2.gz QELVDGISXAUURL-XOBRGWDASA-N 0 1 377.444 3.298 20 0 GGADMN C[C@@H]1c2ccccc2C[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000828527905 601117228 /nfs/dbraw/zinc/11/72/28/601117228.db2.gz QELVDGISXAUURL-VLIAUNLRSA-N 0 1 377.444 3.298 20 0 GGADMN C[C@@H]1c2ccccc2C[N@@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000828527905 601117230 /nfs/dbraw/zinc/11/72/30/601117230.db2.gz QELVDGISXAUURL-VLIAUNLRSA-N 0 1 377.444 3.298 20 0 GGADMN C[C@@H]1CC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000828289302 601117949 /nfs/dbraw/zinc/11/79/49/601117949.db2.gz BMOIFTDXTAGDPZ-PWPOUGHRSA-N 0 1 378.469 3.100 20 0 GGADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000829458023 601128717 /nfs/dbraw/zinc/12/87/17/601128717.db2.gz ICVIQJXWPDYULZ-MRXNPFEDSA-N 0 1 379.526 3.200 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000829458857 601129409 /nfs/dbraw/zinc/12/94/09/601129409.db2.gz RTFXMPOPSFGWKX-LBPRGKRZSA-N 0 1 385.411 3.182 20 0 GGADMN CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830499849 601131009 /nfs/dbraw/zinc/13/10/09/601131009.db2.gz GPIGLXZJPHUURJ-HXUWFJFHSA-N 0 1 381.476 3.442 20 0 GGADMN Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946094 601143719 /nfs/dbraw/zinc/14/37/19/601143719.db2.gz KETXRKPCUIWHBD-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946094 601143720 /nfs/dbraw/zinc/14/37/20/601143720.db2.gz KETXRKPCUIWHBD-UZLBHIALSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1C(=O)[O-] ZINC000832947461 601144700 /nfs/dbraw/zinc/14/47/00/601144700.db2.gz WKQZBPLZQSDBEI-MRXNPFEDSA-N 0 1 397.475 3.236 20 0 GGADMN Cc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1C(=O)[O-] ZINC000832947461 601144701 /nfs/dbraw/zinc/14/47/01/601144701.db2.gz WKQZBPLZQSDBEI-MRXNPFEDSA-N 0 1 397.475 3.236 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828295832 601147661 /nfs/dbraw/zinc/14/76/61/601147661.db2.gz QTGUONQINCVHDK-SFHVURJKSA-N 0 1 395.503 3.233 20 0 GGADMN O=C([O-])c1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000833315404 601149609 /nfs/dbraw/zinc/14/96/09/601149609.db2.gz RUWPTDLHFPLTAQ-UHFFFAOYSA-N 0 1 381.457 3.061 20 0 GGADMN CC[N@H+](CCC(=O)[O-])Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000829705526 601150344 /nfs/dbraw/zinc/15/03/44/601150344.db2.gz YOPSCUFOLPXLOF-UHFFFAOYSA-N 0 1 375.494 3.238 20 0 GGADMN CC[N@@H+](CCC(=O)[O-])Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000829705526 601150346 /nfs/dbraw/zinc/15/03/46/601150346.db2.gz YOPSCUFOLPXLOF-UHFFFAOYSA-N 0 1 375.494 3.238 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000826008178 601157626 /nfs/dbraw/zinc/15/76/26/601157626.db2.gz FXTLJXZTEDBDDS-HNNXBMFYSA-N 0 1 376.522 3.141 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])CC2)[nH+]c1 ZINC000832936628 601170548 /nfs/dbraw/zinc/17/05/48/601170548.db2.gz NFDAOQXPFNEJHV-OXJNMPFZSA-N 0 1 381.476 3.185 20 0 GGADMN C[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)[C@H]1c1ccccc1 ZINC000828439119 601178796 /nfs/dbraw/zinc/17/87/96/601178796.db2.gz HFQWILWDKIPMGR-GQWLDOHISA-N 0 1 391.471 3.414 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000831364795 601179263 /nfs/dbraw/zinc/17/92/63/601179263.db2.gz OFUIVPBJLYFJJZ-TYILLQQXSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000831364795 601179265 /nfs/dbraw/zinc/17/92/65/601179265.db2.gz OFUIVPBJLYFJJZ-TYILLQQXSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000831371212 601179371 /nfs/dbraw/zinc/17/93/71/601179371.db2.gz VSXFIKUDDIRPNN-CKFHNAJUSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000831371212 601179373 /nfs/dbraw/zinc/17/93/73/601179373.db2.gz VSXFIKUDDIRPNN-CKFHNAJUSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000831371213 601179531 /nfs/dbraw/zinc/17/95/31/601179531.db2.gz VSXFIKUDDIRPNN-NJSLBKSFSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000831371213 601179532 /nfs/dbraw/zinc/17/95/32/601179532.db2.gz VSXFIKUDDIRPNN-NJSLBKSFSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257838 601179539 /nfs/dbraw/zinc/17/95/39/601179539.db2.gz MLFLRHIDKYRUOG-NJSLBKSFSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831257838 601179540 /nfs/dbraw/zinc/17/95/40/601179540.db2.gz MLFLRHIDKYRUOG-NJSLBKSFSA-N 0 1 396.443 3.191 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)cs2)cc1 ZINC000566362732 601181691 /nfs/dbraw/zinc/18/16/91/601181691.db2.gz VZZDIWANBWIEEE-SFHVURJKSA-N 0 1 388.489 3.278 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000833183942 601183789 /nfs/dbraw/zinc/18/37/89/601183789.db2.gz APRXAKPLCYUYBQ-MIZPHKNDSA-N 0 1 384.520 3.392 20 0 GGADMN CN(CC(=O)[O-])C(=O)CC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000830693015 601184424 /nfs/dbraw/zinc/18/44/24/601184424.db2.gz XIFSLRNQAXRVCJ-HXUWFJFHSA-N 0 1 392.858 3.433 20 0 GGADMN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CC3 ZINC000833325587 601185038 /nfs/dbraw/zinc/18/50/38/601185038.db2.gz SFMVXYSVFUOKTG-MRXNPFEDSA-N 0 1 395.503 3.405 20 0 GGADMN O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000833233386 601185653 /nfs/dbraw/zinc/18/56/53/601185653.db2.gz VXVYWSQBXDUOSX-MRXNPFEDSA-N 0 1 394.462 3.423 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828176745 601196027 /nfs/dbraw/zinc/19/60/27/601196027.db2.gz JVYKUXRBPGNEDL-LPHOPBHVSA-N 0 1 397.475 3.325 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828177869 601197725 /nfs/dbraw/zinc/19/77/25/601197725.db2.gz VHAJGCOIEUTMPI-JXFKEZNVSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000263169179 601212369 /nfs/dbraw/zinc/21/23/69/601212369.db2.gz CXXATPASAYLQRB-UZLBHIALSA-N 0 1 381.476 3.237 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000828175961 601213348 /nfs/dbraw/zinc/21/33/48/601213348.db2.gz GBJIMPZIJBQHPO-KKSFZXQISA-N 0 1 393.487 3.463 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@H]1C ZINC000829754665 601221771 /nfs/dbraw/zinc/22/17/71/601221771.db2.gz WEYJQOLSYXCGIT-WBVHZDCISA-N 0 1 388.512 3.322 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000831918492 601221829 /nfs/dbraw/zinc/22/18/29/601221829.db2.gz NJWRIMWCLUEBJT-IRXDYDNUSA-N 0 1 391.851 3.234 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000831918492 601221830 /nfs/dbraw/zinc/22/18/30/601221830.db2.gz NJWRIMWCLUEBJT-IRXDYDNUSA-N 0 1 391.851 3.234 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@@H]1C ZINC000829754662 601221958 /nfs/dbraw/zinc/22/19/58/601221958.db2.gz WEYJQOLSYXCGIT-DOTOQJQBSA-N 0 1 388.512 3.322 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000833009060 601235206 /nfs/dbraw/zinc/23/52/06/601235206.db2.gz KMUCWCRBEKMMGK-CQSZACIVSA-N 0 1 378.432 3.439 20 0 GGADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC[N@H+]2C)cc1 ZINC000832265223 601240098 /nfs/dbraw/zinc/24/00/98/601240098.db2.gz LJMMOQFNUYUTJE-VXIBKDFQSA-N 0 1 375.465 3.122 20 0 GGADMN CCN1CC[NH+](Cc2ccc(CNc3nc(Cl)c(C(=O)[O-])s3)cc2)CC1 ZINC000829776090 601248525 /nfs/dbraw/zinc/24/85/25/601248525.db2.gz HCHZAOAVUCAEKD-UHFFFAOYSA-N 0 1 394.928 3.244 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921979 601283986 /nfs/dbraw/zinc/28/39/86/601283986.db2.gz NIFHDGPULVQSSM-WOJBJXKFSA-N 0 1 384.451 3.083 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921979 601283987 /nfs/dbraw/zinc/28/39/87/601283987.db2.gz NIFHDGPULVQSSM-WOJBJXKFSA-N 0 1 384.451 3.083 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921972 601284073 /nfs/dbraw/zinc/28/40/73/601284073.db2.gz NIFHDGPULVQSSM-PMACEKPBSA-N 0 1 384.451 3.083 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000832921972 601284074 /nfs/dbraw/zinc/28/40/74/601284074.db2.gz NIFHDGPULVQSSM-PMACEKPBSA-N 0 1 384.451 3.083 20 0 GGADMN O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000833249278 601284653 /nfs/dbraw/zinc/28/46/53/601284653.db2.gz QVSFIAQIDWDZAZ-HNNXBMFYSA-N 0 1 380.435 3.033 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000833287570 601288367 /nfs/dbraw/zinc/28/83/67/601288367.db2.gz MTNFLZBNUGOYMM-LJQANCHMSA-N 0 1 385.439 3.239 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000833287570 601288370 /nfs/dbraw/zinc/28/83/70/601288370.db2.gz MTNFLZBNUGOYMM-LJQANCHMSA-N 0 1 385.439 3.239 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830191057 601289378 /nfs/dbraw/zinc/28/93/78/601289378.db2.gz FTAZHGGJVSKRPV-KSSFIOAISA-N 0 1 383.492 3.224 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164755 601291015 /nfs/dbraw/zinc/29/10/15/601291015.db2.gz YMACLXYEUWNQEE-UXHICEINSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164755 601291018 /nfs/dbraw/zinc/29/10/18/601291018.db2.gz YMACLXYEUWNQEE-UXHICEINSA-N 0 1 384.451 3.165 20 0 GGADMN CCC1CCC(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)(C(=O)[O-])CC1 ZINC000829086448 601295107 /nfs/dbraw/zinc/29/51/07/601295107.db2.gz MLVCTOMWOPPFIB-UHFFFAOYSA-N 0 1 393.553 3.203 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000831917192 601306355 /nfs/dbraw/zinc/30/63/55/601306355.db2.gz GDZQGHUYNAWCJQ-MRXNPFEDSA-N 0 1 385.416 3.011 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000263463035 601316180 /nfs/dbraw/zinc/31/61/80/601316180.db2.gz JGOQQILIDGZTGJ-XPJNUEMQSA-N 0 1 399.535 3.328 20 0 GGADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000833172420 601326370 /nfs/dbraw/zinc/32/63/70/601326370.db2.gz VGSPCIVXSRCGEL-NRFANRHFSA-N 0 1 384.451 3.119 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000833299980 601327002 /nfs/dbraw/zinc/32/70/02/601327002.db2.gz YWZSIIHYIVFNOR-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000833299980 601327004 /nfs/dbraw/zinc/32/70/04/601327004.db2.gz YWZSIIHYIVFNOR-UHFFFAOYSA-N 0 1 384.451 3.191 20 0 GGADMN C[C@@]1(CCc2ccccc2)CC[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000828089357 601329497 /nfs/dbraw/zinc/32/94/97/601329497.db2.gz VOCGRXXAAKLFQL-HXUWFJFHSA-N 0 1 387.505 3.054 20 0 GGADMN C[C@@]1(CCc2ccccc2)CC[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000828089357 601329500 /nfs/dbraw/zinc/32/95/00/601329500.db2.gz VOCGRXXAAKLFQL-HXUWFJFHSA-N 0 1 387.505 3.054 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000828089356 601329764 /nfs/dbraw/zinc/32/97/64/601329764.db2.gz VOCGRXXAAKLFQL-FQEVSTJZSA-N 0 1 387.505 3.054 20 0 GGADMN C[C@]1(CCc2ccccc2)CC[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000828089356 601329766 /nfs/dbraw/zinc/32/97/66/601329766.db2.gz VOCGRXXAAKLFQL-FQEVSTJZSA-N 0 1 387.505 3.054 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828456246 601332401 /nfs/dbraw/zinc/33/24/01/601332401.db2.gz JSSIYUZKDBGKHE-UTKZUKDTSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000828456005 601334903 /nfs/dbraw/zinc/33/49/03/601334903.db2.gz IEHKJDOFZGKUTF-IERDGZPVSA-N 0 1 393.487 3.321 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000828456007 601335150 /nfs/dbraw/zinc/33/51/50/601335150.db2.gz IEHKJDOFZGKUTF-IIBYNOLFSA-N 0 1 393.487 3.321 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000828457135 601335161 /nfs/dbraw/zinc/33/51/61/601335161.db2.gz RUWIXBMOTRUXIO-OXQOHEQNSA-N 0 1 397.475 3.182 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000828455766 601335172 /nfs/dbraw/zinc/33/51/72/601335172.db2.gz GLKORTFYXJGOTA-UTKZUKDTSA-N 0 1 395.503 3.437 20 0 GGADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829162804 601337087 /nfs/dbraw/zinc/33/70/87/601337087.db2.gz UFFDPTDEXZVXMU-QZTJIDSGSA-N 0 1 391.537 3.485 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000829760917 601337117 /nfs/dbraw/zinc/33/71/17/601337117.db2.gz ZUDLYUZCSUSPTN-MSOLQXFVSA-N 0 1 391.537 3.485 20 0 GGADMN C[C@@H](SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000827902613 601344815 /nfs/dbraw/zinc/34/48/15/601344815.db2.gz NZINPHFUESPPSQ-QGZVFWFLSA-N 0 1 398.528 3.127 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000831919611 601360459 /nfs/dbraw/zinc/36/04/59/601360459.db2.gz YFRXSLQBYPLEBX-IPELMVKDSA-N 0 1 385.460 3.011 20 0 GGADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000833326781 601378741 /nfs/dbraw/zinc/37/87/41/601378741.db2.gz ULOGQNCKYVTXQO-FQEVSTJZSA-N 0 1 379.460 3.416 20 0 GGADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000833326782 601378746 /nfs/dbraw/zinc/37/87/46/601378746.db2.gz ULOGQNCKYVTXQO-HXUWFJFHSA-N 0 1 379.460 3.416 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000826026667 601382360 /nfs/dbraw/zinc/38/23/60/601382360.db2.gz PULGGDFJMBZGIW-YPMHNXCESA-N 0 1 377.441 3.073 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000826026667 601382361 /nfs/dbraw/zinc/38/23/61/601382361.db2.gz PULGGDFJMBZGIW-YPMHNXCESA-N 0 1 377.441 3.073 20 0 GGADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826025891 601394703 /nfs/dbraw/zinc/39/47/03/601394703.db2.gz IDCBWAZCURWRLY-DZFGPLHGSA-N 0 1 380.488 3.477 20 0 GGADMN COc1cc(C[N@H+](C)Cn2nc(C(=O)[O-])c3ccccc32)ccc1OC(F)F ZINC000831989444 601396295 /nfs/dbraw/zinc/39/62/95/601396295.db2.gz BBMIFETYKZUYBB-UHFFFAOYSA-N 0 1 391.374 3.434 20 0 GGADMN COc1cc(C[N@@H+](C)Cn2nc(C(=O)[O-])c3ccccc32)ccc1OC(F)F ZINC000831989444 601396297 /nfs/dbraw/zinc/39/62/97/601396297.db2.gz BBMIFETYKZUYBB-UHFFFAOYSA-N 0 1 391.374 3.434 20 0 GGADMN COc1ccc(C[N@H+](C)Cn2nc(C(=O)[O-])c3ccccc32)cc1OC(F)F ZINC000832311211 601397665 /nfs/dbraw/zinc/39/76/65/601397665.db2.gz VHWNIGIFRYSGSW-UHFFFAOYSA-N 0 1 391.374 3.434 20 0 GGADMN COc1ccc(C[N@@H+](C)Cn2nc(C(=O)[O-])c3ccccc32)cc1OC(F)F ZINC000832311211 601397668 /nfs/dbraw/zinc/39/76/68/601397668.db2.gz VHWNIGIFRYSGSW-UHFFFAOYSA-N 0 1 391.374 3.434 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830722487 601401863 /nfs/dbraw/zinc/40/18/63/601401863.db2.gz DHVFVQPDVBDEPO-SFHVURJKSA-N 0 1 378.476 3.146 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000830375272 601418491 /nfs/dbraw/zinc/41/84/91/601418491.db2.gz KQEKHLLXCXVHGD-KRWDZBQOSA-N 0 1 392.883 3.045 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000565845069 601430489 /nfs/dbraw/zinc/43/04/89/601430489.db2.gz KLAWTLGEBDDWJN-IEBWSBKVSA-N 0 1 379.522 3.206 20 0 GGADMN Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000832892431 601433186 /nfs/dbraw/zinc/43/31/86/601433186.db2.gz GRLGDRQJKSNNOK-IRXDYDNUSA-N 0 1 390.528 3.240 20 0 GGADMN Cc1cc(NC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000832892431 601433188 /nfs/dbraw/zinc/43/31/88/601433188.db2.gz GRLGDRQJKSNNOK-IRXDYDNUSA-N 0 1 390.528 3.240 20 0 GGADMN O=C([O-])c1cc(-c2csc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)n2)c[nH]1 ZINC000833295091 601449425 /nfs/dbraw/zinc/44/94/25/601449425.db2.gz ZBVYGJIAFNEORN-LBPRGKRZSA-N 0 1 388.493 3.430 20 0 GGADMN CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000829170380 601457843 /nfs/dbraw/zinc/45/78/43/601457843.db2.gz PGXNTATZVSNZQO-ZBFHGGJFSA-N 0 1 391.489 3.204 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000663148593 601474582 /nfs/dbraw/zinc/47/45/82/601474582.db2.gz SKJTWMCFIWSXRM-TZIWHRDSSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000663148591 601474696 /nfs/dbraw/zinc/47/46/96/601474696.db2.gz SKJTWMCFIWSXRM-FPOVZHCZSA-N 0 1 378.472 3.109 20 0 GGADMN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)no1 ZINC000833229345 601493615 /nfs/dbraw/zinc/49/36/15/601493615.db2.gz CBMQQOBNNXNWHW-ROUUACIJSA-N 0 1 387.480 3.345 20 0 GGADMN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)no1 ZINC000833229345 601493618 /nfs/dbraw/zinc/49/36/18/601493618.db2.gz CBMQQOBNNXNWHW-ROUUACIJSA-N 0 1 387.480 3.345 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1)oc1ccccc12 ZINC000832102490 601511404 /nfs/dbraw/zinc/51/14/04/601511404.db2.gz DPLAUNJKZYULKT-SWLSCSKDSA-N 0 1 382.416 3.186 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000828433101 601514218 /nfs/dbraw/zinc/51/42/18/601514218.db2.gz RKYQLKBJNRFVMV-PVXIVEMSSA-N 0 1 385.291 3.309 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000828433100 601514261 /nfs/dbraw/zinc/51/42/61/601514261.db2.gz RKYQLKBJNRFVMV-FFSVYQOJSA-N 0 1 385.291 3.309 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263353639 601515193 /nfs/dbraw/zinc/51/51/93/601515193.db2.gz QIVVKFWMMJDYHA-MDYRTPRTSA-N 0 1 382.460 3.418 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000828430244 601519489 /nfs/dbraw/zinc/51/94/89/601519489.db2.gz ALWXZXFVTCGIFD-HEFCMCLBSA-N 0 1 386.879 3.198 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000263093632 601519610 /nfs/dbraw/zinc/51/96/10/601519610.db2.gz ALWXZXFVTCGIFD-DJKXOVBDSA-N 0 1 386.879 3.198 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)nc1-c1ccc(Cl)cc1 ZINC000833034039 601526207 /nfs/dbraw/zinc/52/62/07/601526207.db2.gz MIWCKDQXYCHSCD-YGRLFVJLSA-N 0 1 393.896 3.363 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)nc1-c1ccc(Cl)cc1 ZINC000833034037 601526582 /nfs/dbraw/zinc/52/65/82/601526582.db2.gz MIWCKDQXYCHSCD-HZMBPMFUSA-N 0 1 393.896 3.363 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828420348 601527001 /nfs/dbraw/zinc/52/70/01/601527001.db2.gz CHCMNWUTDHGMOD-KKZNHRDASA-N 0 1 378.778 3.338 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000828442206 601527032 /nfs/dbraw/zinc/52/70/32/601527032.db2.gz YJQHFIPCBOQGTL-QPUJVOFHSA-N 0 1 398.303 3.315 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421446 601529857 /nfs/dbraw/zinc/52/98/57/601529857.db2.gz FSORZJDXVRJCOV-YCPHGPKFSA-N 0 1 388.464 3.098 20 0 GGADMN Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000832860867 601534705 /nfs/dbraw/zinc/53/47/05/601534705.db2.gz ONMQMTONVNVHFE-LJQANCHMSA-N 0 1 394.471 3.392 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863215 601535896 /nfs/dbraw/zinc/53/58/96/601535896.db2.gz LFEAIQHBHHHONM-PXNSSMCTSA-N 0 1 396.487 3.332 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000422584788 601537689 /nfs/dbraw/zinc/53/76/89/601537689.db2.gz AORGBDFHYDSTJR-LXGCGDOSSA-N 0 1 386.879 3.198 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000422584787 601537818 /nfs/dbraw/zinc/53/78/18/601537818.db2.gz AORGBDFHYDSTJR-DJKXOVBDSA-N 0 1 386.879 3.198 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828422743 601539340 /nfs/dbraw/zinc/53/93/40/601539340.db2.gz JCURTBXIRIKMBD-FOGDFJRCSA-N 0 1 395.431 3.068 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000833178074 601540684 /nfs/dbraw/zinc/54/06/84/601540684.db2.gz DSYCZLYGQPBVLQ-RHSMWYFYSA-N 0 1 389.883 3.203 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000833178082 601540710 /nfs/dbraw/zinc/54/07/10/601540710.db2.gz DSYCZLYGQPBVLQ-YOEHRIQHSA-N 0 1 389.883 3.203 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000833178071 601540763 /nfs/dbraw/zinc/54/07/63/601540763.db2.gz DSYCZLYGQPBVLQ-PBHICJAKSA-N 0 1 389.883 3.203 20 0 GGADMN CCc1cc2c(C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])cc(=O)oc2cc1O ZINC000830224830 601542326 /nfs/dbraw/zinc/54/23/26/601542326.db2.gz XPCWRCWMPBKSQP-OAQYLSRUSA-N 0 1 379.412 3.245 20 0 GGADMN C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c(OC)c1 ZINC000571054915 601543526 /nfs/dbraw/zinc/54/35/26/601543526.db2.gz RWIXHGROGAOQGG-RAAWFYQDSA-N 0 1 397.471 3.152 20 0 GGADMN CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000829139915 601544274 /nfs/dbraw/zinc/54/42/74/601544274.db2.gz ATBDIMBCIZRYHM-LJQANCHMSA-N 0 1 396.491 3.123 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000584236916 601544267 /nfs/dbraw/zinc/54/42/67/601544267.db2.gz CSILNPPQMUHZKR-CRAIPNDOSA-N 0 1 395.377 3.129 20 0 GGADMN CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OCC ZINC000662231210 601544500 /nfs/dbraw/zinc/54/45/00/601544500.db2.gz BSERBASGBQLCTC-OAQYLSRUSA-N 0 1 398.459 3.107 20 0 GGADMN CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OCC ZINC000662231210 601544501 /nfs/dbraw/zinc/54/45/01/601544501.db2.gz BSERBASGBQLCTC-OAQYLSRUSA-N 0 1 398.459 3.107 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000662232653 601546403 /nfs/dbraw/zinc/54/64/03/601546403.db2.gz JFPVLCMBJWDVBT-LJQANCHMSA-N 0 1 388.851 3.361 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000833195881 601548976 /nfs/dbraw/zinc/54/89/76/601548976.db2.gz SUAYOYZAAVQQCT-DLBZAZTESA-N 0 1 376.250 3.167 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000832982490 601551494 /nfs/dbraw/zinc/55/14/94/601551494.db2.gz UUDWKOONWDAKAQ-JHMKDJTOSA-N 0 1 383.488 3.114 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000832982492 601551544 /nfs/dbraw/zinc/55/15/44/601551544.db2.gz UUDWKOONWDAKAQ-RGMHLJPOSA-N 0 1 383.488 3.114 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826502120 607513621 /nfs/dbraw/zinc/51/36/21/607513621.db2.gz VCSIQHUOCQGVNQ-NVXWUHKLSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826502120 607513622 /nfs/dbraw/zinc/51/36/22/607513622.db2.gz VCSIQHUOCQGVNQ-NVXWUHKLSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502120 607513624 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3.079 20 0 GGADMN O=C([O-])[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000833125124 601583642 /nfs/dbraw/zinc/58/36/42/601583642.db2.gz IQRAITXDNDISPY-IEBWSBKVSA-N 0 1 386.879 3.494 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000833104945 601584219 /nfs/dbraw/zinc/58/42/19/601584219.db2.gz HADLOWLKVAKURE-SFHVURJKSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000833104945 601584221 /nfs/dbraw/zinc/58/42/21/601584221.db2.gz HADLOWLKVAKURE-SFHVURJKSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000833105070 601584371 /nfs/dbraw/zinc/58/43/71/601584371.db2.gz IBQPGIYVQUBTSQ-FQEVSTJZSA-N 0 1 382.460 3.047 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000833105070 601584373 /nfs/dbraw/zinc/58/43/73/601584373.db2.gz IBQPGIYVQUBTSQ-FQEVSTJZSA-N 0 1 382.460 3.047 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@H]1C ZINC000829753246 601586831 /nfs/dbraw/zinc/58/68/31/601586831.db2.gz NQLDGOUCMTWHLX-DGCLKSJQSA-N 0 1 385.411 3.323 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H]1C ZINC000829760616 601586912 /nfs/dbraw/zinc/58/69/12/601586912.db2.gz UODVBCIAKQYLQI-RHSMWYFYSA-N 0 1 379.526 3.341 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CCN(C)c1ccccc1)CC2 ZINC000516657081 601592393 /nfs/dbraw/zinc/59/23/93/601592393.db2.gz STZVLSPRKFVZGP-IBGZPJMESA-N 0 1 384.476 3.214 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cccc(C(=O)[O-])c3)CC2)cs1 ZINC000820697001 601610693 /nfs/dbraw/zinc/61/06/93/601610693.db2.gz OWZGIXSAWLHEQM-OAHLLOKOSA-N 0 1 389.521 3.257 20 0 GGADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C(=O)[O-])c(C)o3)CC2)cs1 ZINC000831500627 601611022 /nfs/dbraw/zinc/61/10/22/601611022.db2.gz KKKWRMKTVGBYTO-CQSZACIVSA-N 0 1 393.509 3.158 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@H](C)c3ccc(C(=O)[O-])o3)CC2)cs1 ZINC000831501054 601611222 /nfs/dbraw/zinc/61/12/22/601611222.db2.gz NEGRSHUZVLKWMO-KGLIPLIRSA-N 0 1 393.509 3.411 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000833107875 601611751 /nfs/dbraw/zinc/61/17/51/601611751.db2.gz WVDXYXIOSVYXNX-IBGZPJMESA-N 0 1 394.427 3.152 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000833107875 601611753 /nfs/dbraw/zinc/61/17/53/601611753.db2.gz WVDXYXIOSVYXNX-IBGZPJMESA-N 0 1 394.427 3.152 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000833008996 601612603 /nfs/dbraw/zinc/61/26/03/601612603.db2.gz HVORBXYKVPQQDH-AWEZNQCLSA-N 0 1 379.416 3.135 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2)C[C@H](C)O1 ZINC000237629251 601614134 /nfs/dbraw/zinc/61/41/34/601614134.db2.gz HPUQJTJCOVJMGT-HOTGVXAUSA-N 0 1 382.460 3.175 20 0 GGADMN COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(C(=O)[O-])c(F)c3)[C@@H](C)C2)cc1 ZINC000831390219 601625228 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YQLQFMLBOGTSLX-KSSFIOAISA-N 0 1 382.464 3.138 20 0 GGADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000833032954 601631106 /nfs/dbraw/zinc/63/11/06/601631106.db2.gz QSZPVVKVAYGKBO-UHFFFAOYSA-N 0 1 376.526 3.240 20 0 GGADMN CCC(CC)(CC(=O)[O-])[NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000828800081 601634789 /nfs/dbraw/zinc/63/47/89/601634789.db2.gz RKUCEFTZKIXNHM-UHFFFAOYSA-N 0 1 386.374 3.143 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000828162100 601646978 /nfs/dbraw/zinc/64/69/78/601646978.db2.gz RPLGJCPZPBFNDT-YZLZLFLDSA-N 0 1 387.524 3.027 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828361983 601652199 /nfs/dbraw/zinc/65/21/99/601652199.db2.gz NMZPCMCJISPCSS-OXQOHEQNSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828361982 601652206 /nfs/dbraw/zinc/65/22/06/601652206.db2.gz NMZPCMCJISPCSS-OXJNMPFZSA-N 0 1 387.524 3.313 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000833106798 601662468 /nfs/dbraw/zinc/66/24/68/601662468.db2.gz WFMLCAZQCSAKRA-HZMBPMFUSA-N 0 1 387.263 3.131 20 0 GGADMN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000833106798 601662470 /nfs/dbraw/zinc/66/24/70/601662470.db2.gz WFMLCAZQCSAKRA-HZMBPMFUSA-N 0 1 387.263 3.131 20 0 GGADMN Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC000832980175 601674054 /nfs/dbraw/zinc/67/40/54/601674054.db2.gz WUJIVMATNLYJFY-UHFFFAOYSA-N 0 1 396.487 3.033 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)CC2)c1 ZINC000832966871 601674122 /nfs/dbraw/zinc/67/41/22/601674122.db2.gz CZZQTKNWKMPBFW-UHFFFAOYSA-N 0 1 396.487 3.033 20 0 GGADMN Cc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(C)c1OCC(=O)[O-] ZINC000832864337 601675391 /nfs/dbraw/zinc/67/53/91/601675391.db2.gz WZISZZXQIWVFOC-KRWDZBQOSA-N 0 1 376.497 3.151 20 0 GGADMN Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(C)c1OCC(=O)[O-] 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CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000828884690 602375719 /nfs/dbraw/zinc/37/57/19/602375719.db2.gz YYLOXSWENLZENO-KRWDZBQOSA-N 0 1 385.439 3.482 20 0 GGADMN O=C(Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)c1ccc(F)cc1O ZINC000826455520 607563630 /nfs/dbraw/zinc/56/36/30/607563630.db2.gz RVXDBABDXULCDV-UHFFFAOYSA-N 0 1 392.350 3.151 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000827486314 602386467 /nfs/dbraw/zinc/38/64/67/602386467.db2.gz KXJUEEJYBPAPTC-NSHDSACASA-N 0 1 377.441 3.154 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000827486314 602386470 /nfs/dbraw/zinc/38/64/70/602386470.db2.gz KXJUEEJYBPAPTC-NSHDSACASA-N 0 1 377.441 3.154 20 0 GGADMN Cc1ccc(N2CCC(C(=O)NCCc3ccc(NC(=O)[O-])cc3)CC2)[nH+]c1 ZINC000738617542 603454928 /nfs/dbraw/zinc/45/49/28/603454928.db2.gz XFTDDNDSPDYUPO-UHFFFAOYSA-N 0 1 382.464 3.055 20 0 GGADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737283899 603571118 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SHDGWESBSSGGDL-PMACEKPBSA-N 0 1 399.535 3.328 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000738165394 604321085 /nfs/dbraw/zinc/32/10/85/604321085.db2.gz AUMKWEHLVFBYKV-DYVFJYSZSA-N 0 1 375.494 3.204 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000827047809 604328289 /nfs/dbraw/zinc/32/82/89/604328289.db2.gz KWHKCPNQDUSKKB-DOTOQJQBSA-N 0 1 375.469 3.120 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccc3nsnc31)CC2 ZINC000832103695 604332719 /nfs/dbraw/zinc/33/27/19/604332719.db2.gz XWSHAROOLLKBPG-INIZCTEOSA-N 0 1 399.472 3.283 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc3nsnc31)CC2 ZINC000832103695 604332721 /nfs/dbraw/zinc/33/27/21/604332721.db2.gz XWSHAROOLLKBPG-INIZCTEOSA-N 0 1 399.472 3.283 20 0 GGADMN Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)CC2)c1 ZINC000832983297 604348552 /nfs/dbraw/zinc/34/85/52/604348552.db2.gz SLKAVDGMCPANCH-UHFFFAOYSA-N 0 1 382.464 3.106 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCN(Cc2cccnc2Cl)CC1 ZINC000833173520 604361644 /nfs/dbraw/zinc/36/16/44/604361644.db2.gz SJFASRXGHBRDRD-MRXNPFEDSA-N 0 1 380.275 3.332 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826088826 604374741 /nfs/dbraw/zinc/37/47/41/604374741.db2.gz CDTJMHBDYNSNDQ-VQTJNVASSA-N 0 1 395.503 3.262 20 0 GGADMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000833190050 604381235 /nfs/dbraw/zinc/38/12/35/604381235.db2.gz JFMFQLRMLHZQSH-UHFFFAOYSA-N 0 1 393.487 3.036 20 0 GGADMN C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000825994852 604391666 /nfs/dbraw/zinc/39/16/66/604391666.db2.gz KUBOPOWKANWGBH-UZLBHIALSA-N 0 1 380.488 3.402 20 0 GGADMN C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000825994852 604391668 /nfs/dbraw/zinc/39/16/68/604391668.db2.gz KUBOPOWKANWGBH-UZLBHIALSA-N 0 1 380.488 3.402 20 0 GGADMN C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000825994851 604391804 /nfs/dbraw/zinc/39/18/04/604391804.db2.gz KUBOPOWKANWGBH-OXQOHEQNSA-N 0 1 380.488 3.402 20 0 GGADMN C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000825994851 604391808 /nfs/dbraw/zinc/39/18/08/604391808.db2.gz KUBOPOWKANWGBH-OXQOHEQNSA-N 0 1 380.488 3.402 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000832040367 604455360 /nfs/dbraw/zinc/45/53/60/604455360.db2.gz DWGOTQTUAJKHGB-HXUWFJFHSA-N 0 1 393.443 3.495 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000832040367 604455361 /nfs/dbraw/zinc/45/53/61/604455361.db2.gz DWGOTQTUAJKHGB-HXUWFJFHSA-N 0 1 393.443 3.495 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828257608 604456549 /nfs/dbraw/zinc/45/65/49/604456549.db2.gz GOWZQRRGDOFEGX-AEFFLSMTSA-N 0 1 375.513 3.402 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000832050142 604456814 /nfs/dbraw/zinc/45/68/14/604456814.db2.gz MXOAUYUGNWMTEZ-QFIPXVFZSA-N 0 1 398.503 3.346 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(Cc3ccccc3C)CC2)c1 ZINC000832050142 604456816 /nfs/dbraw/zinc/45/68/16/604456816.db2.gz MXOAUYUGNWMTEZ-QFIPXVFZSA-N 0 1 398.503 3.346 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCCN(Cc3ccccc3C)CC2)c1 ZINC000832050142 604456817 /nfs/dbraw/zinc/45/68/17/604456817.db2.gz MXOAUYUGNWMTEZ-QFIPXVFZSA-N 0 1 398.503 3.346 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000832265013 604457459 /nfs/dbraw/zinc/45/74/59/604457459.db2.gz JAFOFAKUEIPBNI-LJQANCHMSA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000832265013 604457463 /nfs/dbraw/zinc/45/74/63/604457463.db2.gz JAFOFAKUEIPBNI-LJQANCHMSA-N 0 1 388.508 3.468 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCCN(c3ccc(C)cc3)CC2)c1 ZINC000832048980 604458307 /nfs/dbraw/zinc/45/83/07/604458307.db2.gz BTUJQJDUXOMLBW-OAQYLSRUSA-N 0 1 384.476 3.350 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000832050319 604458686 /nfs/dbraw/zinc/45/86/86/604458686.db2.gz OVDVVDDNRGNXHQ-NRFANRHFSA-N 0 1 393.443 3.074 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000832050319 604458688 /nfs/dbraw/zinc/45/86/88/604458688.db2.gz OVDVVDDNRGNXHQ-NRFANRHFSA-N 0 1 393.443 3.074 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791268 604460813 /nfs/dbraw/zinc/46/08/13/604460813.db2.gz SIRBSXZDQUPFPB-CXAGYDPISA-N 0 1 389.452 3.216 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)c1 ZINC000582791271 604461045 /nfs/dbraw/zinc/46/10/45/604461045.db2.gz SIRBSXZDQUPFPB-GUYCJALGSA-N 0 1 389.452 3.216 20 0 GGADMN C[N@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1(C(=O)[O-])CCCC1 ZINC000830683901 604462553 /nfs/dbraw/zinc/46/25/53/604462553.db2.gz QEEDPUBEEIQDAG-UHFFFAOYSA-N 0 1 395.431 3.356 20 0 GGADMN C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1(C(=O)[O-])CCCC1 ZINC000830683901 604462556 /nfs/dbraw/zinc/46/25/56/604462556.db2.gz QEEDPUBEEIQDAG-UHFFFAOYSA-N 0 1 395.431 3.356 20 0 GGADMN C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C1(C(=O)[O-])CCCC1 ZINC000830665690 604463471 /nfs/dbraw/zinc/46/34/71/604463471.db2.gz MXPNWGZRGHOTMT-UHFFFAOYSA-N 0 1 381.476 3.113 20 0 GGADMN C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C1(C(=O)[O-])CCCC1 ZINC000830665690 604463473 /nfs/dbraw/zinc/46/34/73/604463473.db2.gz MXPNWGZRGHOTMT-UHFFFAOYSA-N 0 1 381.476 3.113 20 0 GGADMN O=C([O-])CCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414626776 604463781 /nfs/dbraw/zinc/46/37/81/604463781.db2.gz MEFJYKGAXZCXKF-PMACEKPBSA-N 0 1 387.524 3.328 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000833100605 604469200 /nfs/dbraw/zinc/46/92/00/604469200.db2.gz XJQIYGHNDXTERD-GOSISDBHSA-N 0 1 382.460 3.391 20 0 GGADMN COc1cc2c(c(OC)c1OC)CC[N@H+]([C@@H](C(=O)[O-])c1ccccc1F)CC2 ZINC000583327522 604473180 /nfs/dbraw/zinc/47/31/80/604473180.db2.gz RKLFFKZAWMGCMM-GOSISDBHSA-N 0 1 389.423 3.078 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000832040206 604474896 /nfs/dbraw/zinc/47/48/96/604474896.db2.gz AHEDJRNLRSEBBM-CBGDNZLLSA-N 0 1 390.524 3.416 20 0 GGADMN COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000832393849 604479193 /nfs/dbraw/zinc/47/91/93/604479193.db2.gz JKXKQGPASXTXTQ-GOSISDBHSA-N 0 1 376.840 3.435 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000833701754 604479351 /nfs/dbraw/zinc/47/93/51/604479351.db2.gz NEHHQNSKPDSOJV-FQEVSTJZSA-N 0 1 383.444 3.487 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000833701391 604479417 /nfs/dbraw/zinc/47/94/17/604479417.db2.gz JEXCYIZHNRNSNV-ZCNNSNEGSA-N 0 1 383.444 3.187 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000833701391 604479419 /nfs/dbraw/zinc/47/94/19/604479419.db2.gz JEXCYIZHNRNSNV-ZCNNSNEGSA-N 0 1 383.444 3.187 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000833700051 604481910 /nfs/dbraw/zinc/48/19/10/604481910.db2.gz ACHADPZNHJEBPP-LJQANCHMSA-N 0 1 393.443 3.355 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000826096364 604482214 /nfs/dbraw/zinc/48/22/14/604482214.db2.gz UKEIRMIBOWPCEY-LJQANCHMSA-N 0 1 381.476 3.154 20 0 GGADMN CCC1CCC([NH2+]Cc2nc3cc(S(=O)(=O)CC)ccc3o2)(C(=O)[O-])CC1 ZINC000829107118 604485176 /nfs/dbraw/zinc/48/51/76/604485176.db2.gz HFVHBWFNQYEOBU-UHFFFAOYSA-N 0 1 394.493 3.135 20 0 GGADMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000827586029 604487345 /nfs/dbraw/zinc/48/73/45/604487345.db2.gz FBUAGKFPCUPKJC-GFCCVEGCSA-N 0 1 388.489 3.142 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000828024307 604489181 /nfs/dbraw/zinc/48/91/81/604489181.db2.gz MYGGKTUZOLKKMI-JOCHJYFZSA-N 0 1 382.460 3.391 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3CC(=O)[O-])cc2)C1 ZINC000828161862 604492193 /nfs/dbraw/zinc/49/21/93/604492193.db2.gz PWNMXYYNNNFBKD-FUHIMQAGSA-N 0 1 387.524 3.313 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000263464081 604493712 /nfs/dbraw/zinc/49/37/12/604493712.db2.gz JOCPHQARBGHCJS-KWJLTHHISA-N 0 1 399.535 3.326 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829765508 604502679 /nfs/dbraw/zinc/50/26/79/604502679.db2.gz XDTHBOLPCNNFJN-INIZCTEOSA-N 0 1 388.493 3.360 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1)C(=O)[O-] ZINC000833538183 604514940 /nfs/dbraw/zinc/51/49/40/604514940.db2.gz RIYNPSVQXNVQQJ-JKSUJKDBSA-N 0 1 380.448 3.312 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000827016606 604515169 /nfs/dbraw/zinc/51/51/69/604515169.db2.gz QEKPGKWVTPVCOS-CQSZACIVSA-N 0 1 377.268 3.132 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@@H]1C ZINC000829752071 604520373 /nfs/dbraw/zinc/52/03/73/604520373.db2.gz CJWBSMBITISKET-SZMVWBNQSA-N 0 1 375.513 3.353 20 0 GGADMN CCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])s1 ZINC000833677548 604520568 /nfs/dbraw/zinc/52/05/68/604520568.db2.gz TYFOGEMWMNRTSW-HNNXBMFYSA-N 0 1 376.478 3.297 20 0 GGADMN CCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])s1 ZINC000833677548 604520570 /nfs/dbraw/zinc/52/05/70/604520570.db2.gz TYFOGEMWMNRTSW-HNNXBMFYSA-N 0 1 376.478 3.297 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830860182 604522448 /nfs/dbraw/zinc/52/24/48/604522448.db2.gz NTHBKSBQHSTMGZ-GOSISDBHSA-N 0 1 385.464 3.060 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830860182 604522450 /nfs/dbraw/zinc/52/24/50/604522450.db2.gz NTHBKSBQHSTMGZ-GOSISDBHSA-N 0 1 385.464 3.060 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)C(=O)[O-] ZINC000833539490 604523427 /nfs/dbraw/zinc/52/34/27/604523427.db2.gz GMLVMXVYWOCHSH-OAHLLOKOSA-N 0 1 395.459 3.431 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1)C(=O)[O-] ZINC000833544427 604525541 /nfs/dbraw/zinc/52/55/41/604525541.db2.gz XMBQGVMWUJOIGW-AEFFLSMTSA-N 0 1 398.507 3.236 20 0 GGADMN O=C([O-])c1cc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c[nH]1 ZINC000833779983 604526386 /nfs/dbraw/zinc/52/63/86/604526386.db2.gz PXNUZNAMJQLWDL-UHFFFAOYSA-N 0 1 381.398 3.440 20 0 GGADMN O=C([O-])c1cc(C[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c[nH]1 ZINC000833779983 604526390 /nfs/dbraw/zinc/52/63/90/604526390.db2.gz PXNUZNAMJQLWDL-UHFFFAOYSA-N 0 1 381.398 3.440 20 0 GGADMN O=C([O-])c1cc(C[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c[nH]1 ZINC000833779983 604526393 /nfs/dbraw/zinc/52/63/93/604526393.db2.gz PXNUZNAMJQLWDL-UHFFFAOYSA-N 0 1 381.398 3.440 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1)C(=O)[O-] ZINC000833544430 604526831 /nfs/dbraw/zinc/52/68/31/604526831.db2.gz XMBQGVMWUJOIGW-WMZOPIPTSA-N 0 1 398.507 3.236 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000826096635 604533980 /nfs/dbraw/zinc/53/39/80/604533980.db2.gz YNXURYSJZIFVBF-IBGZPJMESA-N 0 1 387.524 3.498 20 0 GGADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833011404 604535586 /nfs/dbraw/zinc/53/55/86/604535586.db2.gz VLMJVTUURZMQCH-QZTJIDSGSA-N 0 1 384.480 3.218 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833496166 604559733 /nfs/dbraw/zinc/55/97/33/604559733.db2.gz VVXMCOZVOCERIG-UHFFFAOYSA-N 0 1 383.492 3.267 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833550671 604559889 /nfs/dbraw/zinc/55/98/89/604559889.db2.gz YFEGQXKQGWVGFN-JXFKEZNVSA-N 0 1 381.476 3.062 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833630242 604564601 /nfs/dbraw/zinc/56/46/01/604564601.db2.gz QMAMMUGIXAHUPO-DYESRHJHSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C[C@H]1O ZINC000833620055 604569139 /nfs/dbraw/zinc/56/91/39/604569139.db2.gz BYZTWBGTRDDAMN-IINYFYTJSA-N 0 1 394.880 3.018 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C[C@H]1O ZINC000833620055 604569140 /nfs/dbraw/zinc/56/91/40/604569140.db2.gz BYZTWBGTRDDAMN-IINYFYTJSA-N 0 1 394.880 3.018 20 0 GGADMN O=C([O-])c1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000821550380 604586729 /nfs/dbraw/zinc/58/67/29/604586729.db2.gz BOTKFZHPAITIGY-LJQANCHMSA-N 0 1 390.443 3.281 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833542808 604612495 /nfs/dbraw/zinc/61/24/95/604612495.db2.gz SSWNTYVPFDDIRY-DOTOQJQBSA-N 0 1 392.496 3.418 20 0 GGADMN C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833621691 604613106 /nfs/dbraw/zinc/61/31/06/604613106.db2.gz JLRWQKZVSDQREA-UONOGXRCSA-N 0 1 388.489 3.435 20 0 GGADMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833621691 604613109 /nfs/dbraw/zinc/61/31/09/604613109.db2.gz JLRWQKZVSDQREA-UONOGXRCSA-N 0 1 388.489 3.435 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000833736760 604614161 /nfs/dbraw/zinc/61/41/61/604614161.db2.gz XESXSJROOHJTST-IBGZPJMESA-N 0 1 389.477 3.133 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000833736760 604614164 /nfs/dbraw/zinc/61/41/64/604614164.db2.gz XESXSJROOHJTST-IBGZPJMESA-N 0 1 389.477 3.133 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439245 604615220 /nfs/dbraw/zinc/61/52/20/604615220.db2.gz LOLLKOWHGQXRBZ-DLBZAZTESA-N 0 1 377.485 3.467 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833439246 604615331 /nfs/dbraw/zinc/61/53/31/604615331.db2.gz LOLLKOWHGQXRBZ-IAGOWNOFSA-N 0 1 377.485 3.467 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000568873761 604619108 /nfs/dbraw/zinc/61/91/08/604619108.db2.gz FAWYXXXKSIGDHU-MRXNPFEDSA-N 0 1 384.476 3.309 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000568873761 604619112 /nfs/dbraw/zinc/61/91/12/604619112.db2.gz FAWYXXXKSIGDHU-MRXNPFEDSA-N 0 1 384.476 3.309 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833757437 604619500 /nfs/dbraw/zinc/61/95/00/604619500.db2.gz ZOKCQUIHKJRWPP-MRXNPFEDSA-N 0 1 392.459 3.146 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000833541179 604622864 /nfs/dbraw/zinc/62/28/64/604622864.db2.gz MBTPRZLMBNOIIZ-PXNSSMCTSA-N 0 1 396.487 3.323 20 0 GGADMN C[C@@H](CC(=O)[O-])SCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000827385703 604631250 /nfs/dbraw/zinc/63/12/50/604631250.db2.gz NRMQDZZLIABDHD-BBRMVZONSA-N 0 1 384.929 3.190 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538047 604633414 /nfs/dbraw/zinc/63/34/14/604633414.db2.gz BEZJWGBOTFCHCQ-DOTOQJQBSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538051 604633495 /nfs/dbraw/zinc/63/34/95/604633495.db2.gz BEZJWGBOTFCHCQ-RDJZCZTQSA-N 0 1 392.496 3.227 20 0 GGADMN C[C@@H](Oc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1)C(=O)[O-] ZINC000833538269 604635468 /nfs/dbraw/zinc/63/54/68/604635468.db2.gz CBJCTLNHVJTRCK-OAHLLOKOSA-N 0 1 381.432 3.002 20 0 GGADMN C[C@H](Oc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538626 604639174 /nfs/dbraw/zinc/63/91/74/604639174.db2.gz UEKGFTBKMDQMSW-RXVVDRJESA-N 0 1 382.504 3.492 20 0 GGADMN C[C@H](Oc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000833538626 604639175 /nfs/dbraw/zinc/63/91/75/604639175.db2.gz UEKGFTBKMDQMSW-RXVVDRJESA-N 0 1 382.504 3.492 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833544439 604647175 /nfs/dbraw/zinc/64/71/75/604647175.db2.gz XQKGOXZEANNRSN-RVKKMQEKSA-N 0 1 392.496 3.274 20 0 GGADMN Cc1cc(CNc2ccccc2C[NH+]2CCOCC2)cc(C)c1OCC(=O)[O-] ZINC000832886584 604654396 /nfs/dbraw/zinc/65/43/96/604654396.db2.gz UVIWGBDRGRPLJG-UHFFFAOYSA-N 0 1 384.476 3.211 20 0 GGADMN Cc1cc(CNc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1OCC(=O)[O-] ZINC000832885274 604657279 /nfs/dbraw/zinc/65/72/79/604657279.db2.gz LHEQLOAPXTTWRA-UHFFFAOYSA-N 0 1 384.476 3.211 20 0 GGADMN Cc1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc(C)c1OCC(=O)[O-] ZINC000833745398 604661126 /nfs/dbraw/zinc/66/11/26/604661126.db2.gz GHEYUVFRXGJRSU-QHCPKHFHSA-N 0 1 381.472 3.441 20 0 GGADMN C[C@@H](C1CC1)[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000833515185 604662813 /nfs/dbraw/zinc/66/28/13/604662813.db2.gz AYTGMZVKVMVQOP-HTAPYJJXSA-N 0 1 392.499 3.325 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(Br)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000235349226 604666601 /nfs/dbraw/zinc/66/66/01/604666601.db2.gz RGXVKSKIVSRLIA-SCZZXKLOSA-N 0 1 377.076 3.364 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(Br)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000235349226 604666604 /nfs/dbraw/zinc/66/66/04/604666604.db2.gz RGXVKSKIVSRLIA-SCZZXKLOSA-N 0 1 377.076 3.364 20 0 GGADMN CCCOc1c(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000833652443 604672425 /nfs/dbraw/zinc/67/24/25/604672425.db2.gz UMIDSLOFAPRDBO-YPMHNXCESA-N 0 1 386.286 3.399 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000263492838 604677737 /nfs/dbraw/zinc/67/77/37/604677737.db2.gz IYZCQVUBLZOJPZ-QFIPXVFZSA-N 0 1 376.460 3.290 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cnc2ccc(Br)cn12 ZINC000263496613 604679166 /nfs/dbraw/zinc/67/91/66/604679166.db2.gz JUQRETGMKRAFKY-GLQYFDAESA-N 0 1 378.270 3.315 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544513 604682805 /nfs/dbraw/zinc/68/28/05/604682805.db2.gz ZDIIZFWWIPXYCY-NVXWUHKLSA-N 0 1 392.496 3.370 20 0 GGADMN Fc1cccc(CNCc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)n1 ZINC000826376849 607708040 /nfs/dbraw/zinc/70/80/40/607708040.db2.gz VLPPXSBQQIAJIS-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000829210039 604700892 /nfs/dbraw/zinc/70/08/92/604700892.db2.gz YDIPZKKESUKDEQ-CWFSZBLJSA-N 0 1 385.508 3.180 20 0 GGADMN O=C([O-])C1(O)CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000833785553 604725417 /nfs/dbraw/zinc/72/54/17/604725417.db2.gz CLEXCGVVIIDOKF-IBGZPJMESA-N 0 1 378.428 3.003 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833549909 604730178 /nfs/dbraw/zinc/73/01/78/604730178.db2.gz IJDOKEPGKXWWQH-SECBINFHSA-N 0 1 386.235 3.016 20 0 GGADMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833635021 604733583 /nfs/dbraw/zinc/73/35/83/604733583.db2.gz NQAYKQBDOPOOKH-WMLDXEAASA-N 0 1 377.510 3.095 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1)C(=O)[O-] ZINC000827449131 604739218 /nfs/dbraw/zinc/73/92/18/604739218.db2.gz GRAVSFUJZVOZON-HNNXBMFYSA-N 0 1 395.459 3.063 20 0 GGADMN O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000833312462 604741380 /nfs/dbraw/zinc/74/13/80/604741380.db2.gz UNECEZSSHPIHJL-HNNXBMFYSA-N 0 1 396.472 3.342 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449658 604742886 /nfs/dbraw/zinc/74/28/86/604742886.db2.gz NIZYTTJWOUUHRE-YCRPNKLZSA-N 0 1 398.528 3.407 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000832264347 604744084 /nfs/dbraw/zinc/74/40/84/604744084.db2.gz ABIMNFNWTVFVMD-JXFKEZNVSA-N 0 1 388.508 3.324 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)s2)c1 ZINC000832967204 604747314 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UKOAQSCGCBZRQJ-PKOBYXMFSA-N 0 1 396.487 3.181 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)CC1 ZINC000824952725 607737329 /nfs/dbraw/zinc/73/73/29/607737329.db2.gz AKSPTKHABRIPKK-UHFFFAOYSA-N 0 1 375.908 3.370 20 0 GGADMN CC1CC[NH+](C2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)CC1 ZINC000824952725 607737330 /nfs/dbraw/zinc/73/73/30/607737330.db2.gz AKSPTKHABRIPKK-UHFFFAOYSA-N 0 1 375.908 3.370 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000833627227 605160209 /nfs/dbraw/zinc/16/02/09/605160209.db2.gz VBOAJCOKMVFAAB-CQSZACIVSA-N 0 1 388.414 3.253 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)NC2CCC(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000414632923 605160697 /nfs/dbraw/zinc/16/06/97/605160697.db2.gz SYQMKTOWYFVOLR-FVPXHTFXSA-N 0 1 387.524 3.230 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)NC2CCC(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000414632924 605160859 /nfs/dbraw/zinc/16/08/59/605160859.db2.gz SYQMKTOWYFVOLR-HSFDUWRESA-N 0 1 387.524 3.230 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000833621890 605161204 /nfs/dbraw/zinc/16/12/04/605161204.db2.gz OPFBETTTZUEVKR-SFHVURJKSA-N 0 1 380.488 3.000 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NC2CCC(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000414632925 605161341 /nfs/dbraw/zinc/16/13/41/605161341.db2.gz SYQMKTOWYFVOLR-OVZGMEQFSA-N 0 1 387.524 3.230 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000833622424 605164212 /nfs/dbraw/zinc/16/42/12/605164212.db2.gz BGVYPFJCZOCSKY-HNNXBMFYSA-N 0 1 386.423 3.239 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000666538888 605164690 /nfs/dbraw/zinc/16/46/90/605164690.db2.gz XDPFICUBYTVBLC-XLIONFOSSA-N 0 1 395.503 3.485 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000833479829 605165479 /nfs/dbraw/zinc/16/54/79/605165479.db2.gz NZJMPCUTHSGKLY-UHOSZYNNSA-N 0 1 375.513 3.086 20 0 GGADMN 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ZINC000833628396 605196384 /nfs/dbraw/zinc/19/63/84/605196384.db2.gz HNRWZIIQWMPPOI-HKLWWIALSA-N 0 1 381.314 3.333 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000833628396 605196388 /nfs/dbraw/zinc/19/63/88/605196388.db2.gz HNRWZIIQWMPPOI-HKLWWIALSA-N 0 1 381.314 3.333 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000833628396 605196392 /nfs/dbraw/zinc/19/63/92/605196392.db2.gz HNRWZIIQWMPPOI-HKLWWIALSA-N 0 1 381.314 3.333 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCOc1ccc(Oc2ccccc2)cc1 ZINC000833628713 605198062 /nfs/dbraw/zinc/19/80/62/605198062.db2.gz ODSLAGLYPBOKRU-SFHVURJKSA-N 0 1 384.476 3.339 20 0 GGADMN Cc1nc(C)n([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)n1 ZINC000833755444 605205283 /nfs/dbraw/zinc/20/52/83/605205283.db2.gz NEVLPCXRADCXBR-JKSUJKDBSA-N 0 1 393.285 3.120 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000833442051 605206472 /nfs/dbraw/zinc/20/64/72/605206472.db2.gz MHWYPQUOOVXQIW-HNNXBMFYSA-N 0 1 378.469 3.000 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000833742450 605206562 /nfs/dbraw/zinc/20/65/62/605206562.db2.gz NHTWFMQMGWBHCI-ROUUACIJSA-N 0 1 397.519 3.335 20 0 GGADMN CCOC(=O)N(C)C1CC[NH+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833659404 605210081 /nfs/dbraw/zinc/21/00/81/605210081.db2.gz ZDYFWDVSSRGPGY-UHFFFAOYSA-N 0 1 387.436 3.093 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833420133 605210939 /nfs/dbraw/zinc/21/09/39/605210939.db2.gz BAGQLHMHUZNNDL-OAHLLOKOSA-N 0 1 399.491 3.414 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833420133 605210943 /nfs/dbraw/zinc/21/09/43/605210943.db2.gz BAGQLHMHUZNNDL-OAHLLOKOSA-N 0 1 399.491 3.414 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000263198479 605213307 /nfs/dbraw/zinc/21/33/07/605213307.db2.gz HCPGPGPEXXRIQT-NVXWUHKLSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000263198479 605213311 /nfs/dbraw/zinc/21/33/11/605213311.db2.gz HCPGPGPEXXRIQT-NVXWUHKLSA-N 0 1 385.867 3.167 20 0 GGADMN C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833524305 605217861 /nfs/dbraw/zinc/21/78/61/605217861.db2.gz COJBDYZRQIVNIE-UTKZUKDTSA-N 0 1 383.492 3.498 20 0 GGADMN C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833524305 605217865 /nfs/dbraw/zinc/21/78/65/605217865.db2.gz COJBDYZRQIVNIE-UTKZUKDTSA-N 0 1 383.492 3.498 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000833600680 605218534 /nfs/dbraw/zinc/21/85/34/605218534.db2.gz MSTDHPWZRFWOJR-CABCVRRESA-N 0 1 378.469 3.141 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(=O)[O-])ccc1F ZINC000833436485 605222286 /nfs/dbraw/zinc/22/22/86/605222286.db2.gz IMLNHXJPGFQBSH-CVEARBPZSA-N 0 1 378.444 3.498 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000833772843 605222720 /nfs/dbraw/zinc/22/27/20/605222720.db2.gz CPOXHIMFAOJTSQ-QGZVFWFLSA-N 0 1 399.457 3.203 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000833772807 605225267 /nfs/dbraw/zinc/22/52/67/605225267.db2.gz BAAZHAHYIHAQAH-QGZVFWFLSA-N 0 1 379.932 3.228 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000833772837 605225351 /nfs/dbraw/zinc/22/53/51/605225351.db2.gz CGGZQNLFOCHKEF-KRWDZBQOSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCC[NH+]1CCC(N[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000833772837 605225356 /nfs/dbraw/zinc/22/53/56/605225356.db2.gz CGGZQNLFOCHKEF-KRWDZBQOSA-N 0 1 381.314 3.355 20 0 GGADMN O=C([O-])CCC[NH+]1CCC(NCCOc2cccc(Cl)c2Cl)CC1 ZINC000833772852 605225372 /nfs/dbraw/zinc/22/53/72/605225372.db2.gz CUXXBGUALRRXTL-UHFFFAOYSA-N 0 1 375.296 3.291 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000833772852 605225376 /nfs/dbraw/zinc/22/53/76/605225376.db2.gz CUXXBGUALRRXTL-UHFFFAOYSA-N 0 1 375.296 3.291 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833469415 605234684 /nfs/dbraw/zinc/23/46/84/605234684.db2.gz WPUAXKNMBNHECG-IKGGRYGDSA-N 0 1 399.894 3.411 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833469415 605234688 /nfs/dbraw/zinc/23/46/88/605234688.db2.gz WPUAXKNMBNHECG-IKGGRYGDSA-N 0 1 399.894 3.411 20 0 GGADMN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833431706 605243801 /nfs/dbraw/zinc/24/38/01/605243801.db2.gz UYOCWRNFNGRAJR-GDBMZVCRSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833431706 605243804 /nfs/dbraw/zinc/24/38/04/605243804.db2.gz UYOCWRNFNGRAJR-GDBMZVCRSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263255564 605246020 /nfs/dbraw/zinc/24/60/20/605246020.db2.gz PPCQHGODPKSEFW-RRQGHBQHSA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263255564 605246022 /nfs/dbraw/zinc/24/60/22/605246022.db2.gz PPCQHGODPKSEFW-RRQGHBQHSA-N 0 1 397.878 3.119 20 0 GGADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000833506083 605248139 /nfs/dbraw/zinc/24/81/39/605248139.db2.gz SAFHREBHRVBFPN-LBPRGKRZSA-N 0 1 396.228 3.361 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+]1CCC(=O)[O-] ZINC000833619632 605250674 /nfs/dbraw/zinc/25/06/74/605250674.db2.gz DBXKFGUHJMDYPI-CYBMUJFWSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC[N@H+]1CCC(=O)[O-] ZINC000833619632 605250675 /nfs/dbraw/zinc/25/06/75/605250675.db2.gz DBXKFGUHJMDYPI-CYBMUJFWSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000833597550 605250836 /nfs/dbraw/zinc/25/08/36/605250836.db2.gz PRSZVYGBXFRALZ-YLJYHZDGSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833615868 605254105 /nfs/dbraw/zinc/25/41/05/605254105.db2.gz UBOIMCAPUYSREB-OAHLLOKOSA-N 0 1 383.448 3.285 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC000833618254 605254220 /nfs/dbraw/zinc/25/42/20/605254220.db2.gz MRFARUYHBJEKFK-DFBGVHRSSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620251 605256763 /nfs/dbraw/zinc/25/67/63/605256763.db2.gz GBJMJNBVVSWZFV-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[N@H+]1CCC(=O)[O-] ZINC000833620251 605256767 /nfs/dbraw/zinc/25/67/67/605256767.db2.gz GBJMJNBVVSWZFV-ZDUSSCGKSA-N 0 1 376.453 3.175 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C2)n1 ZINC000833755137 605265435 /nfs/dbraw/zinc/26/54/35/605265435.db2.gz ASXNYRXIVGVBIL-YOEHRIQHSA-N 0 1 396.413 3.452 20 0 GGADMN CC(C)C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC000424237553 605265769 /nfs/dbraw/zinc/26/57/69/605265769.db2.gz CYPSGNMJQIRYII-DLBZAZTESA-N 0 1 375.513 3.356 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833438952 605266101 /nfs/dbraw/zinc/26/61/01/605266101.db2.gz MTGDYTTUYTXORQ-SMDDNHRTSA-N 0 1 388.386 3.430 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833438950 605266119 /nfs/dbraw/zinc/26/61/19/605266119.db2.gz MTGDYTTUYTXORQ-RISCZKNCSA-N 0 1 388.386 3.430 20 0 GGADMN C/C(=C/C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000833383937 605275859 /nfs/dbraw/zinc/27/58/59/605275859.db2.gz VZIFBOVTIUCABP-QLKUMGTLSA-N 0 1 384.398 3.116 20 0 GGADMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@H](C)C2)sc1-c1ccc(F)cc1 ZINC000833742208 605275947 /nfs/dbraw/zinc/27/59/47/605275947.db2.gz IAKNIXZSXJXKMS-CQSZACIVSA-N 0 1 390.480 3.484 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)sc1-c1ccc(F)cc1 ZINC000833742208 605275949 /nfs/dbraw/zinc/27/59/49/605275949.db2.gz IAKNIXZSXJXKMS-CQSZACIVSA-N 0 1 390.480 3.484 20 0 GGADMN C/C(=C\C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000833384551 605275981 /nfs/dbraw/zinc/27/59/81/605275981.db2.gz YGGMNMWOWZDHHR-CMPYXILNSA-N 0 1 384.398 3.116 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620499 605276024 /nfs/dbraw/zinc/27/60/24/605276024.db2.gz FUBYJXSYANVLSE-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833620499 605276026 /nfs/dbraw/zinc/27/60/26/605276026.db2.gz FUBYJXSYANVLSE-GFCCVEGCSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000833514359 605276082 /nfs/dbraw/zinc/27/60/82/605276082.db2.gz RNJSEIIKIQTWDT-KBPBESRZSA-N 0 1 386.414 3.206 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)[NH+]1CCOCC1 ZINC000833642152 605283156 /nfs/dbraw/zinc/28/31/56/605283156.db2.gz GPSNLYYCLDYEPT-KRWDZBQOSA-N 0 1 396.463 3.174 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000833497863 605294890 /nfs/dbraw/zinc/29/48/90/605294890.db2.gz KMXQHKVJBDRYIY-UHFFFAOYSA-N 0 1 381.432 3.209 20 0 GGADMN CC(C)[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000833497863 605294891 /nfs/dbraw/zinc/29/48/91/605294891.db2.gz KMXQHKVJBDRYIY-UHFFFAOYSA-N 0 1 381.432 3.209 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000833693445 605295427 /nfs/dbraw/zinc/29/54/27/605295427.db2.gz XTVRKNCNZOATSP-QGZVFWFLSA-N 0 1 392.496 3.229 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000833614604 605297315 /nfs/dbraw/zinc/29/73/15/605297315.db2.gz QIKBGFXVMLWNDF-MAUKXSAKSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833599326 605299151 /nfs/dbraw/zinc/29/91/51/605299151.db2.gz DGMHBAPQLORHTH-GOEBONIOSA-N 0 1 378.469 3.028 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833756985 605299757 /nfs/dbraw/zinc/29/97/57/605299757.db2.gz SYUOYYXZMYAIEJ-SFHVURJKSA-N 0 1 379.460 3.473 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833756982 605299939 /nfs/dbraw/zinc/29/99/39/605299939.db2.gz SYUOYYXZMYAIEJ-GOSISDBHSA-N 0 1 379.460 3.473 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000653287470 605311593 /nfs/dbraw/zinc/31/15/93/605311593.db2.gz WEVBIRGYNCXULK-WMZOPIPTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000653287470 605311598 /nfs/dbraw/zinc/31/15/98/605311598.db2.gz WEVBIRGYNCXULK-WMZOPIPTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)N1CC[C@@H](NC2CC[NH+](CC(=O)[O-])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833500420 605321633 /nfs/dbraw/zinc/32/16/33/605321633.db2.gz QXXRVGJIGIBARX-UYAOXDASSA-N 0 1 397.922 3.142 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000833585191 605329305 /nfs/dbraw/zinc/32/93/05/605329305.db2.gz QPOSEEQTTYEEBV-NUJGCVRESA-N 0 1 394.512 3.245 20 0 GGADMN CCC[N@@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000833651384 605358218 /nfs/dbraw/zinc/35/82/18/605358218.db2.gz ZTIIZNOOSXRCSD-MRXNPFEDSA-N 0 1 382.501 3.245 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)O1 ZINC000833583503 605361068 /nfs/dbraw/zinc/36/10/68/605361068.db2.gz IDDXNLNLVOTIRY-ZBFHGGJFSA-N 0 1 387.411 3.203 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583609 605369054 /nfs/dbraw/zinc/36/90/54/605369054.db2.gz JEGMVPHUZGGJJC-WDEREUQCSA-N 0 1 376.400 3.489 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833442483 605373156 /nfs/dbraw/zinc/37/31/56/605373156.db2.gz PFIAITOXKNVMAW-XHDPSFHLSA-N 0 1 386.851 3.451 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833442480 605373183 /nfs/dbraw/zinc/37/31/83/605373183.db2.gz PFIAITOXKNVMAW-NHYWBVRUSA-N 0 1 386.851 3.451 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3c(F)cccc3Cl)C2)n1 ZINC000833755545 605374322 /nfs/dbraw/zinc/37/43/22/605374322.db2.gz QQKSUBGDQZZYQT-GUYCJALGSA-N 0 1 380.851 3.225 20 0 GGADMN CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833420181 605374634 /nfs/dbraw/zinc/37/46/34/605374634.db2.gz CFOBDHVZDQGWES-WBMJQRKESA-N 0 1 384.879 3.479 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000833405341 605392400 /nfs/dbraw/zinc/39/24/00/605392400.db2.gz ZLTJZIZUYSRWBW-HOTGVXAUSA-N 0 1 376.472 3.107 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000833601886 605404831 /nfs/dbraw/zinc/40/48/31/605404831.db2.gz XJELSXKLCSHUTO-HKUYNNGSSA-N 0 1 387.524 3.374 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833628823 605404998 /nfs/dbraw/zinc/40/49/98/605404998.db2.gz BMHIPYAQPHULQL-PKOBYXMFSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522010 605413341 /nfs/dbraw/zinc/41/33/41/605413341.db2.gz DBCCAHFEOZAVKQ-MJGOQNOKSA-N 0 1 387.524 3.231 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263368920 605419470 /nfs/dbraw/zinc/41/94/70/605419470.db2.gz XGOGFLLACXXDNC-OXQOHEQNSA-N 0 1 381.476 3.095 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000833405312 605424643 /nfs/dbraw/zinc/42/46/43/605424643.db2.gz YYYZRCCHKJHYRY-XJKSGUPXSA-N 0 1 398.425 3.206 20 0 GGADMN CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)c2C1 ZINC000833487605 605447333 /nfs/dbraw/zinc/44/73/33/605447333.db2.gz KKRIOQPHECGASK-UHFFFAOYSA-N 0 1 388.489 3.298 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)c2C1 ZINC000833487605 605447337 /nfs/dbraw/zinc/44/73/37/605447337.db2.gz KKRIOQPHECGASK-UHFFFAOYSA-N 0 1 388.489 3.298 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(C)c1C(=O)[O-] ZINC000833670278 605451132 /nfs/dbraw/zinc/45/11/32/605451132.db2.gz ZZBIRRDJSALIPM-ZIFCJYIRSA-N 0 1 395.503 3.224 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000414652970 605456146 /nfs/dbraw/zinc/45/61/46/605456146.db2.gz YYBLUZZODQLGCX-MJGOQNOKSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000414652970 605456148 /nfs/dbraw/zinc/45/61/48/605456148.db2.gz YYBLUZZODQLGCX-MJGOQNOKSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000833498502 605475578 /nfs/dbraw/zinc/47/55/78/605475578.db2.gz DTTZPKMBZVTQFN-LVFSCSRESA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000833498502 605475581 /nfs/dbraw/zinc/47/55/81/605475581.db2.gz DTTZPKMBZVTQFN-LVFSCSRESA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833498497 605475719 /nfs/dbraw/zinc/47/57/19/605475719.db2.gz DTTZPKMBZVTQFN-LTDCPUDJSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833498497 605475721 /nfs/dbraw/zinc/47/57/21/605475721.db2.gz DTTZPKMBZVTQFN-LTDCPUDJSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833498095 605475887 /nfs/dbraw/zinc/47/58/87/605475887.db2.gz CQBNIKUACQZXLQ-IJWHBOBBSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833498095 605475890 /nfs/dbraw/zinc/47/58/90/605475890.db2.gz CQBNIKUACQZXLQ-IJWHBOBBSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000833498514 605475973 /nfs/dbraw/zinc/47/59/73/605475973.db2.gz DTTZPKMBZVTQFN-VVWQDTPRSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000833498514 605475979 /nfs/dbraw/zinc/47/59/79/605475979.db2.gz DTTZPKMBZVTQFN-VVWQDTPRSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833500472 605485011 /nfs/dbraw/zinc/48/50/11/605485011.db2.gz RLPSFXWYMVPEDQ-SJLPKXTDSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833500472 605485013 /nfs/dbraw/zinc/48/50/13/605485013.db2.gz RLPSFXWYMVPEDQ-SJLPKXTDSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500468 605485191 /nfs/dbraw/zinc/48/51/91/605485191.db2.gz RLPSFXWYMVPEDQ-AEFFLSMTSA-N 0 1 389.402 3.012 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833500468 605485194 /nfs/dbraw/zinc/48/51/94/605485194.db2.gz RLPSFXWYMVPEDQ-AEFFLSMTSA-N 0 1 389.402 3.012 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1)C(=O)[O-] ZINC000833539588 605521041 /nfs/dbraw/zinc/52/10/41/605521041.db2.gz HUWHVYYBWLTUJT-OAHLLOKOSA-N 0 1 376.497 3.007 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1)C(=O)[O-] ZINC000833539588 605521044 /nfs/dbraw/zinc/52/10/44/605521044.db2.gz HUWHVYYBWLTUJT-OAHLLOKOSA-N 0 1 376.497 3.007 20 0 GGADMN C[N@H+]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CC1 ZINC000833697391 605556735 /nfs/dbraw/zinc/55/67/35/605556735.db2.gz HWBYOSIILQDIJF-UHFFFAOYSA-N 0 1 383.448 3.133 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000833705964 605682935 /nfs/dbraw/zinc/68/29/35/605682935.db2.gz FEYYPLBBZRKYGV-RKYWYAJISA-N 0 1 396.281 3.191 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@H](C(=O)[O-])C1 ZINC000833706469 605691564 /nfs/dbraw/zinc/69/15/64/605691564.db2.gz HGCRPFQDDUOIFC-YJBOKZPZSA-N 0 1 377.481 3.091 20 0 GGADMN COC(=O)[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC000833706465 605691705 /nfs/dbraw/zinc/69/17/05/605691705.db2.gz HGCRPFQDDUOIFC-MAUKXSAKSA-N 0 1 377.481 3.091 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC000833706461 605691816 /nfs/dbraw/zinc/69/18/16/605691816.db2.gz HGCRPFQDDUOIFC-CRAIPNDOSA-N 0 1 377.481 3.091 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)C2)o1 ZINC000833511526 605835837 /nfs/dbraw/zinc/83/58/37/605835837.db2.gz WWTFHHFIFYMKDG-INIZCTEOSA-N 0 1 375.444 3.342 20 0 GGADMN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)o1 ZINC000833511526 605835842 /nfs/dbraw/zinc/83/58/42/605835842.db2.gz WWTFHHFIFYMKDG-INIZCTEOSA-N 0 1 375.444 3.342 20 0 GGADMN C[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833522994 605860255 /nfs/dbraw/zinc/86/02/55/605860255.db2.gz VLELPQKGHPPWLC-DOTOQJQBSA-N 0 1 388.512 3.271 20 0 GGADMN CCCc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000833652462 605864069 /nfs/dbraw/zinc/86/40/69/605864069.db2.gz CBPBZOFZXNHNDM-HIFRSBDPSA-N 0 1 375.513 3.357 20 0 GGADMN CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619241 606044685 /nfs/dbraw/zinc/04/46/85/606044685.db2.gz OWFKPRMTKAXKOC-OAHLLOKOSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619241 606044689 /nfs/dbraw/zinc/04/46/89/606044689.db2.gz OWFKPRMTKAXKOC-OAHLLOKOSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619241 606044696 /nfs/dbraw/zinc/04/46/96/606044696.db2.gz OWFKPRMTKAXKOC-OAHLLOKOSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619241 606044701 /nfs/dbraw/zinc/04/47/01/606044701.db2.gz OWFKPRMTKAXKOC-OAHLLOKOSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619240 606044911 /nfs/dbraw/zinc/04/49/11/606044911.db2.gz OWFKPRMTKAXKOC-HNNXBMFYSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619240 606044918 /nfs/dbraw/zinc/04/49/18/606044918.db2.gz OWFKPRMTKAXKOC-HNNXBMFYSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619240 606044923 /nfs/dbraw/zinc/04/49/23/606044923.db2.gz OWFKPRMTKAXKOC-HNNXBMFYSA-N 0 1 383.887 3.016 20 0 GGADMN CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619240 606044929 /nfs/dbraw/zinc/04/49/29/606044929.db2.gz OWFKPRMTKAXKOC-HNNXBMFYSA-N 0 1 383.887 3.016 20 0 GGADMN Cc1sc(NC(=O)CN2C[C@@H](c3ccccc3)C[C@@H]2C)c(-c2nn[nH]n2)c1C ZINC000822556196 606111909 /nfs/dbraw/zinc/11/19/09/606111909.db2.gz ANJNUIZWRNYWOF-LRDDRELGSA-N 0 1 396.520 3.362 20 0 GGADMN Clc1nsc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1nnn[n-]1 ZINC000822590131 606125429 /nfs/dbraw/zinc/12/54/29/606125429.db2.gz IVPFJWWAHVWFRY-GFCCVEGCSA-N 0 1 381.937 3.069 20 0 GGADMN Clc1nsc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC000822590131 606125431 /nfs/dbraw/zinc/12/54/31/606125431.db2.gz IVPFJWWAHVWFRY-GFCCVEGCSA-N 0 1 381.937 3.069 20 0 GGADMN CSc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1Cl ZINC000821983358 606163315 /nfs/dbraw/zinc/16/33/15/606163315.db2.gz HAUQUAPGJQOPRH-UHFFFAOYSA-N 0 1 381.870 3.043 20 0 GGADMN CN(Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)cc(Br)c1 ZINC000821607672 606373500 /nfs/dbraw/zinc/37/35/00/606373500.db2.gz ZFGGEZUCHRLYNY-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN Clc1cccc(C2(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCOCC2)c1 ZINC000822585474 606413238 /nfs/dbraw/zinc/41/32/38/606413238.db2.gz ADBQVKSXKBXKQG-UHFFFAOYSA-N 0 1 389.912 3.420 20 0 GGADMN Clc1cccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCOCC2)c1 ZINC000822585474 606413239 /nfs/dbraw/zinc/41/32/39/606413239.db2.gz ADBQVKSXKBXKQG-UHFFFAOYSA-N 0 1 389.912 3.420 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819940016 606422639 /nfs/dbraw/zinc/42/26/39/606422639.db2.gz NLZIWCUAVVARRT-TZMCWYRMSA-N 0 1 392.529 3.101 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819940016 606422641 /nfs/dbraw/zinc/42/26/41/606422641.db2.gz NLZIWCUAVVARRT-TZMCWYRMSA-N 0 1 392.529 3.101 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820758735 606469857 /nfs/dbraw/zinc/46/98/57/606469857.db2.gz CIPDXDKOQCCLHU-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820758735 606469858 /nfs/dbraw/zinc/46/98/58/606469858.db2.gz CIPDXDKOQCCLHU-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758735 606469859 /nfs/dbraw/zinc/46/98/59/606469859.db2.gz CIPDXDKOQCCLHU-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820758735 606469860 /nfs/dbraw/zinc/46/98/60/606469860.db2.gz CIPDXDKOQCCLHU-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820709448 606512959 /nfs/dbraw/zinc/51/29/59/606512959.db2.gz IRVMPXFEPFBOJT-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820709448 606512961 /nfs/dbraw/zinc/51/29/61/606512961.db2.gz IRVMPXFEPFBOJT-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820709448 606512963 /nfs/dbraw/zinc/51/29/63/606512963.db2.gz IRVMPXFEPFBOJT-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820709448 606512965 /nfs/dbraw/zinc/51/29/65/606512965.db2.gz IRVMPXFEPFBOJT-ZDUSSCGKSA-N 0 1 382.493 3.412 20 0 GGADMN CCN(C(=O)c1cc(-c2nn[nH]n2)cs1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000821154836 606538689 /nfs/dbraw/zinc/53/86/89/606538689.db2.gz STBNPBGGXYIFRI-PBHICJAKSA-N 0 1 396.520 3.226 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823357275 606559103 /nfs/dbraw/zinc/55/91/03/606559103.db2.gz SSQGILVBGYQIIH-UHFFFAOYSA-N 0 1 388.416 3.119 20 0 GGADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000821309210 606598475 /nfs/dbraw/zinc/59/84/75/606598475.db2.gz KFBMSWYGBQNWFG-UHFFFAOYSA-N 0 1 392.872 3.061 20 0 GGADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)c2ccccc21 ZINC000447329396 606707040 /nfs/dbraw/zinc/70/70/40/606707040.db2.gz KHBAVYDPORVOOF-UHFFFAOYSA-N 0 1 385.836 3.474 20 0 GGADMN C[C@]1(c2ccccc2)CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820633539 606718086 /nfs/dbraw/zinc/71/80/86/606718086.db2.gz CDIPEDLUHXRJNS-NRFANRHFSA-N 0 1 387.447 3.080 20 0 GGADMN Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCC[NH+]2CCC(C)CC2)n1 ZINC000822191636 606853749 /nfs/dbraw/zinc/85/37/49/606853749.db2.gz MKHXHPAZTSQZNO-UHFFFAOYSA-N 0 1 386.447 3.413 20 0 GGADMN Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCC[NH+]2CCC(C)CC2)n1 ZINC000822191636 606853750 /nfs/dbraw/zinc/85/37/50/606853750.db2.gz MKHXHPAZTSQZNO-UHFFFAOYSA-N 0 1 386.447 3.413 20 0 GGADMN O=S(=O)(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823583457 606870811 /nfs/dbraw/zinc/87/08/11/606870811.db2.gz QVZQFXPSONVHHY-UHFFFAOYSA-N 0 1 388.211 3.113 20 0 GGADMN CCC[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000821040671 606881951 /nfs/dbraw/zinc/88/19/51/606881951.db2.gz OZUVVJBEPSSCDB-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(O[C@@H]2CCOC2)c1 ZINC000822238509 606947852 /nfs/dbraw/zinc/94/78/52/606947852.db2.gz KKOBYDJUHJOEJM-DNVCBOLYSA-N 0 1 379.464 3.194 20 0 GGADMN CCCN(Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821109504 606965841 /nfs/dbraw/zinc/96/58/41/606965841.db2.gz KYOFLVQWZQHNRE-CQSZACIVSA-N 0 1 382.443 3.245 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821189229 607113219 /nfs/dbraw/zinc/11/32/19/607113219.db2.gz JJXVAPOFWBZLQB-UHFFFAOYSA-N 0 1 391.932 3.325 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821189229 607113221 /nfs/dbraw/zinc/11/32/21/607113221.db2.gz JJXVAPOFWBZLQB-UHFFFAOYSA-N 0 1 391.932 3.325 20 0 GGADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764054 608036801 /nfs/dbraw/zinc/03/68/01/608036801.db2.gz RXCLEIZGWXZRBD-ZDUSSCGKSA-N 0 1 382.516 3.095 20 0 GGADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764054 608036802 /nfs/dbraw/zinc/03/68/02/608036802.db2.gz RXCLEIZGWXZRBD-ZDUSSCGKSA-N 0 1 382.516 3.095 20 0 GGADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764054 608036803 /nfs/dbraw/zinc/03/68/03/608036803.db2.gz RXCLEIZGWXZRBD-ZDUSSCGKSA-N 0 1 382.516 3.095 20 0 GGADMN C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764054 608036804 /nfs/dbraw/zinc/03/68/04/608036804.db2.gz RXCLEIZGWXZRBD-ZDUSSCGKSA-N 0 1 382.516 3.095 20 0 GGADMN CN1CC[C@H](CNc2ncccc2-c2nn[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826023037 608100843 /nfs/dbraw/zinc/10/08/43/608100843.db2.gz WCIVJYDPPODVSZ-WBMJQRKESA-N 0 1 387.850 3.159 20 0 GGADMN Fc1cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)ccc1Cl ZINC000826372882 608113981 /nfs/dbraw/zinc/11/39/81/608113981.db2.gz PLUMGYIWVGEQQF-SNVBAGLBSA-N 0 1 378.864 3.089 20 0 GGADMN Fc1cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ccc1Cl ZINC000826372882 608113982 /nfs/dbraw/zinc/11/39/82/608113982.db2.gz PLUMGYIWVGEQQF-SNVBAGLBSA-N 0 1 378.864 3.089 20 0 GGADMN CCC[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)N(C)C ZINC000825225206 608122186 /nfs/dbraw/zinc/12/21/86/608122186.db2.gz OCPCVWBLXXXWAL-IBGZPJMESA-N 0 1 394.479 3.115 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824961879 608187026 /nfs/dbraw/zinc/18/70/26/608187026.db2.gz KHTNWJAWCJPXDR-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824961879 608187028 /nfs/dbraw/zinc/18/70/28/608187028.db2.gz KHTNWJAWCJPXDR-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824961879 608187029 /nfs/dbraw/zinc/18/70/29/608187029.db2.gz KHTNWJAWCJPXDR-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824961879 608187031 /nfs/dbraw/zinc/18/70/31/608187031.db2.gz KHTNWJAWCJPXDR-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN Fc1ccc(-c2nn[nH]n2)c(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000826372848 608209793 /nfs/dbraw/zinc/20/97/93/608209793.db2.gz NZBPRVMWJLYSGH-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668240 608314281 /nfs/dbraw/zinc/31/42/81/608314281.db2.gz CPKHVQXDSRTGRK-IAGOWNOFSA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825668240 608314282 /nfs/dbraw/zinc/31/42/82/608314282.db2.gz CPKHVQXDSRTGRK-IAGOWNOFSA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668240 608314284 /nfs/dbraw/zinc/31/42/84/608314284.db2.gz CPKHVQXDSRTGRK-IAGOWNOFSA-N 0 1 397.552 3.467 20 0 GGADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825668240 608314285 /nfs/dbraw/zinc/31/42/85/608314285.db2.gz CPKHVQXDSRTGRK-IAGOWNOFSA-N 0 1 397.552 3.467 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826210759 608353280 /nfs/dbraw/zinc/35/32/80/608353280.db2.gz CYLQWTFORXJAHP-SFHVURJKSA-N 0 1 395.463 3.230 20 0 GGADMN O[C@H](c1ccc(F)cc1)C1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826504655 608395156 /nfs/dbraw/zinc/39/51/56/608395156.db2.gz APOHGIWAOHPVDE-LJQANCHMSA-N 0 1 385.418 3.091 20 0 GGADMN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825012588 608402526 /nfs/dbraw/zinc/40/25/26/608402526.db2.gz JUZINXRFYMTPMQ-OAHLLOKOSA-N 0 1 392.482 3.421 20 0 GGADMN C[C@H]1Cc2ccccc2N1C1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825012587 608402692 /nfs/dbraw/zinc/40/26/92/608402692.db2.gz JUZINXRFYMTPMQ-HNNXBMFYSA-N 0 1 392.482 3.421 20 0 GGADMN CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825139092 608426200 /nfs/dbraw/zinc/42/62/00/608426200.db2.gz BLZGPTMXYYZLNR-XJKSGUPXSA-N 0 1 382.468 3.453 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825141387 608428024 /nfs/dbraw/zinc/42/80/24/608428024.db2.gz OAGNEBBEQPSWIY-WBMJQRKESA-N 0 1 398.467 3.153 20 0 GGADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccc2c(c1)OCO2 ZINC000824611984 608430016 /nfs/dbraw/zinc/43/00/16/608430016.db2.gz HDCIFFKCRLBUQX-JTQLQIEISA-N 0 1 389.362 3.048 20 0 GGADMN Cc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826284210 608463029 /nfs/dbraw/zinc/46/30/29/608463029.db2.gz NDBVOEXDKQNDBT-QVKFZJNVSA-N 0 1 390.491 3.093 20 0 GGADMN Cc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826284209 608463257 /nfs/dbraw/zinc/46/32/57/608463257.db2.gz NDBVOEXDKQNDBT-BTYIYWSLSA-N 0 1 390.491 3.093 20 0 GGADMN C[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553308 608463598 /nfs/dbraw/zinc/46/35/98/608463598.db2.gz BJLJOKPWUVPCQV-YWZLYKJASA-N 0 1 390.491 3.053 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562373 608466561 /nfs/dbraw/zinc/46/65/61/608466561.db2.gz GKJOZFUFOAINKZ-NSHDSACASA-N 0 1 390.369 3.175 20 0 GGADMN CCN(C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000825371807 608467917 /nfs/dbraw/zinc/46/79/17/608467917.db2.gz MJJCFKYTBXDQCZ-GJZGRUSLSA-N 0 1 396.470 3.266 20 0 GGADMN COCCSc1ccc([C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2OC)cc1 ZINC000826163036 608495589 /nfs/dbraw/zinc/49/55/89/608495589.db2.gz DFBRYYAKTDRXDV-CQSZACIVSA-N 0 1 399.520 3.465 20 0 GGADMN Clc1ccc2nc(CN[C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)cn2c1 ZINC000826352533 608501022 /nfs/dbraw/zinc/50/10/22/608501022.db2.gz FIHNZWCUNSJDMB-QGZVFWFLSA-N 0 1 379.855 3.335 20 0 GGADMN CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825966175 608524491 /nfs/dbraw/zinc/52/44/91/608524491.db2.gz RKNIHFCUVKSPIT-UHFFFAOYSA-N 0 1 395.467 3.241 20 0 GGADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1OCc1cccnc1 ZINC000825962016 608526783 /nfs/dbraw/zinc/52/67/83/608526783.db2.gz QIDUXUZDKHFVTD-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN CC1CCC(N(C(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)C2CC2)CC1 ZINC000824919340 608528656 /nfs/dbraw/zinc/52/86/56/608528656.db2.gz UCRLPJLSSGDQRE-UHFFFAOYSA-N 0 1 394.523 3.015 20 0 GGADMN CCC[C@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000825242068 608532276 /nfs/dbraw/zinc/53/22/76/608532276.db2.gz HPWFYFXIJXCVOO-IBGZPJMESA-N 0 1 390.491 3.103 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000824562666 608550581 /nfs/dbraw/zinc/55/05/81/608550581.db2.gz IDQQHNNROBPEEQ-HNNXBMFYSA-N 0 1 399.458 3.218 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824507403 608561984 /nfs/dbraw/zinc/56/19/84/608561984.db2.gz XFHSBQIAOCUYOK-WFASDCNBSA-N 0 1 392.529 3.196 20 0 GGADMN COc1ccc2[nH]cc(C3CC[NH+](Cc4ccc(-c5nn[n-]n5)o4)CC3)c2c1 ZINC000826212494 608630264 /nfs/dbraw/zinc/63/02/64/608630264.db2.gz SHUVHNHGEYLVIN-UHFFFAOYSA-N 0 1 378.436 3.329 20 0 GGADMN C[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)cs2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824948699 608701033 /nfs/dbraw/zinc/70/10/33/608701033.db2.gz VAJADYTYGZTUKS-WFASDCNBSA-N 0 1 392.529 3.053 20 0 GGADMN Fc1ccc([C@@H]2CCCCN2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000826374029 608736598 /nfs/dbraw/zinc/73/65/98/608736598.db2.gz ITSDFNDTZXHJEU-SFHVURJKSA-N 0 1 377.427 3.381 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824573435 609151913 /nfs/dbraw/zinc/15/19/13/609151913.db2.gz ZHLUANXURAINKL-BJOHPYRUSA-N 0 1 379.798 3.183 20 0 GGADMN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000825406404 609324952 /nfs/dbraw/zinc/32/49/52/609324952.db2.gz MZOXWJFLMOQEBK-AWEZNQCLSA-N 0 1 396.470 3.339 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000824533128 609327024 /nfs/dbraw/zinc/32/70/24/609327024.db2.gz ZDCXQMSFMSEUKA-VXGBXAGGSA-N 0 1 380.427 3.302 20 0 GGADMN COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCN2C2CC2)c1 ZINC000826215525 609346387 /nfs/dbraw/zinc/34/63/87/609346387.db2.gz RLKRKHSVJOPHRZ-HKUYNNGSSA-N 0 1 396.520 3.004 20 0 GGADMN COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCN2C2CC2)c1 ZINC000826215525 609346389 /nfs/dbraw/zinc/34/63/89/609346389.db2.gz RLKRKHSVJOPHRZ-HKUYNNGSSA-N 0 1 396.520 3.004 20 0 GGADMN CC(C)OC1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000824308970 609361110 /nfs/dbraw/zinc/36/11/10/609361110.db2.gz CDNNWVCCGYGDSD-UHFFFAOYSA-N 0 1 380.290 3.019 20 0 GGADMN C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824657565 609432230 /nfs/dbraw/zinc/43/22/30/609432230.db2.gz RGZMILFFMRKDCQ-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824657565 609432232 /nfs/dbraw/zinc/43/22/32/609432232.db2.gz RGZMILFFMRKDCQ-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824657565 609432235 /nfs/dbraw/zinc/43/22/35/609432235.db2.gz RGZMILFFMRKDCQ-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824657565 609432237 /nfs/dbraw/zinc/43/22/37/609432237.db2.gz RGZMILFFMRKDCQ-HIFRSBDPSA-N 0 1 383.887 3.238 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296065 609434295 /nfs/dbraw/zinc/43/42/95/609434295.db2.gz DMIFMUQBYCYEHK-QAPCUYQASA-N 0 1 385.422 3.176 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824296065 609434296 /nfs/dbraw/zinc/43/42/96/609434296.db2.gz DMIFMUQBYCYEHK-QAPCUYQASA-N 0 1 385.422 3.176 20 0 GGADMN O=C(Nc1cc2ccc(Br)cn2n1)N[C@@H]1CCCc2cn[nH]c21 ZINC000482142864 650661040 /nfs/dbraw/zinc/66/10/40/650661040.db2.gz QGGFVNLSBKKNKM-GFCCVEGCSA-N 0 1 375.230 3.019 20 0 GGADMN O=C(Nc1ccn(CC(F)F)n1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000531136268 650735307 /nfs/dbraw/zinc/73/53/07/650735307.db2.gz UYUMOJDSVCCUBL-UHFFFAOYSA-N 0 1 397.179 3.005 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2cc(Br)ccc2F)n[nH]1 ZINC000543762417 650922998 /nfs/dbraw/zinc/92/29/98/650922998.db2.gz SPBXDOQDNMIDAA-UHFFFAOYSA-N 0 1 384.205 3.059 20 0 GGADMN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)[C@@H]1CCCc2n[nH]nc21 ZINC000616798556 651909872 /nfs/dbraw/zinc/90/98/72/651909872.db2.gz CSCSWDSLBQUEEN-SSDOTTSWSA-N 0 1 393.270 3.077 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cc(NC(C)=O)ccc2F)N2CCCC2)cc1 ZINC000052956967 1406241334 /nfs/dbraw/zinc/24/13/34/1406241334.db2.gz XVBYVOJGRZGHBD-OAQYLSRUSA-N 0 1 399.466 3.360 20 0 GGADMN COCCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000052956947 1406241668 /nfs/dbraw/zinc/24/16/68/1406241668.db2.gz FXEAEBOVHZJSPS-OAQYLSRUSA-N 0 1 398.503 3.287 20 0 GGADMN COCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000052958977 1406242534 /nfs/dbraw/zinc/24/25/34/1406242534.db2.gz HBAURXCVOTUMOM-UHFFFAOYSA-N 0 1 383.492 3.024 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000052958980 1406242619 /nfs/dbraw/zinc/24/26/19/1406242619.db2.gz JZXNSLNTIALGKR-UHFFFAOYSA-N 0 1 384.455 3.097 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000052960177 1406244285 /nfs/dbraw/zinc/24/42/85/1406244285.db2.gz QSARAVQSBLLXDL-QGZVFWFLSA-N 0 1 375.469 3.413 20 0 GGADMN CCN(CCc1ccccc1)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000052968572 1406245321 /nfs/dbraw/zinc/24/53/21/1406245321.db2.gz CTFDYAZYFGMHIU-UHFFFAOYSA-N 0 1 381.520 3.231 20 0 GGADMN CCOC(=O)C1=C(CN(CC)CCc2ccccc2)NC(=O)N[C@@H]1c1ccco1 ZINC000052968830 1406246044 /nfs/dbraw/zinc/24/60/44/1406246044.db2.gz SMUICTZZAKCEBE-HXUWFJFHSA-N 0 1 397.475 3.015 20 0 GGADMN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000052985507 1406249674 /nfs/dbraw/zinc/24/96/74/1406249674.db2.gz TVUYBVJGGJCSNM-QGZVFWFLSA-N 0 1 389.883 3.322 20 0 GGADMN COCCOc1cccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000053009318 1406257295 /nfs/dbraw/zinc/25/72/95/1406257295.db2.gz LTRGNFAICOQVAH-OAQYLSRUSA-N 0 1 398.503 3.287 20 0 GGADMN COCCOc1ccccc1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000053009313 1406257922 /nfs/dbraw/zinc/25/79/22/1406257922.db2.gz LGUIZUDOUVRPNW-HXUWFJFHSA-N 0 1 398.503 3.287 20 0 GGADMN CC(C)[C@H](C(=O)NC[C@H](c1ccsc1)N(C)C)n1nnc(-c2ccccc2)n1 ZINC000053010334 1406259476 /nfs/dbraw/zinc/25/94/76/1406259476.db2.gz RENFCUKPFMNZFS-QZTJIDSGSA-N 0 1 398.536 3.018 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020394 1406262735 /nfs/dbraw/zinc/26/27/35/1406262735.db2.gz OGBZDSRUSWXIRV-UONOGXRCSA-N 0 1 395.931 3.389 20 0 GGADMN CCC(CC)NC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020372 1406263922 /nfs/dbraw/zinc/26/39/22/1406263922.db2.gz OGDNNYNQGAMXEU-ZDUSSCGKSA-N 0 1 395.931 3.389 20 0 GGADMN CC[C@@H](CNC(=O)c1ccccc1OCCOC)N1CCc2ccccc2C1 ZINC000053028388 1406268649 /nfs/dbraw/zinc/26/86/49/1406268649.db2.gz MLZGSZXIGBYPHL-FQEVSTJZSA-N 0 1 382.504 3.279 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)CN(C)CCc1ccccc1 ZINC000053048644 1406272522 /nfs/dbraw/zinc/27/25/22/1406272522.db2.gz XNPUNWJKKFWMQL-UHFFFAOYSA-N 0 1 390.531 3.404 20 0 GGADMN C[C@H](NC(=O)CN(C)CCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000053048869 1406273101 /nfs/dbraw/zinc/27/31/01/1406273101.db2.gz LSZIDSBNROMYRL-KRWDZBQOSA-N 0 1 379.504 3.387 20 0 GGADMN CN(CCc1ccccc1)CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000053048782 1406273243 /nfs/dbraw/zinc/27/32/43/1406273243.db2.gz CRANOEIVYHYCCG-UHFFFAOYSA-N 0 1 379.504 3.216 20 0 GGADMN COc1cc([C@@H](C)NC(=O)CN(C)CCc2ccccc2)cc(OC)c1OC ZINC000053048741 1406274074 /nfs/dbraw/zinc/27/40/74/1406274074.db2.gz WKBRSXWJLBMZTD-MRXNPFEDSA-N 0 1 386.492 3.064 20 0 GGADMN CCN(CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000053088557 1406286918 /nfs/dbraw/zinc/28/69/18/1406286918.db2.gz HTYBZHHHQCFNBI-KRWDZBQOSA-N 0 1 385.483 3.113 20 0 GGADMN CCN(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000053089313 1406286959 /nfs/dbraw/zinc/28/69/59/1406286959.db2.gz NRPCIQDCDQBYHC-KRWDZBQOSA-N 0 1 391.531 3.314 20 0 GGADMN CC(=O)N1CCC(NC(=O)CN2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000053090638 1406288981 /nfs/dbraw/zinc/28/89/81/1406288981.db2.gz QDQHAZZPPOHFKS-NRFANRHFSA-N 0 1 385.552 3.248 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000053110874 1406293913 /nfs/dbraw/zinc/29/39/13/1406293913.db2.gz NTSJYNPOUGGWND-RBUKOAKNSA-N 0 1 399.466 3.115 20 0 GGADMN Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1N1CCNC1=O ZINC000053110918 1406294138 /nfs/dbraw/zinc/29/41/38/1406294138.db2.gz PXCGRCJODYFANC-LJQANCHMSA-N 0 1 396.491 3.075 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1=NO[C@H](c2ccccc2)C1 ZINC000053111529 1406295567 /nfs/dbraw/zinc/29/55/67/1406295567.db2.gz RPWMRODLQFPRNE-NRFANRHFSA-N 0 1 381.451 3.424 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(F)c(NC(C)=O)c2)N2CCCC2)c1 ZINC000053119834 1406299618 /nfs/dbraw/zinc/29/96/18/1406299618.db2.gz FIKNHYQYMCDQJV-OAQYLSRUSA-N 0 1 399.466 3.360 20 0 GGADMN CCCCCN(CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(F)cc1 ZINC000053134790 1406305476 /nfs/dbraw/zinc/30/54/76/1406305476.db2.gz HVDMNCCQZDTWRL-UHFFFAOYSA-N 0 1 378.488 3.230 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)CC1CC1 ZINC000053184037 1406319118 /nfs/dbraw/zinc/31/91/18/1406319118.db2.gz BRKHTKQHBJJERO-UHFFFAOYSA-N 0 1 390.553 3.073 20 0 GGADMN Cc1nc2ccc(NC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)cc2[nH]1 ZINC000053192011 1406321937 /nfs/dbraw/zinc/32/19/37/1406321937.db2.gz NXOWFRRHRYEVGE-SFHVURJKSA-N 0 1 375.436 3.361 20 0 GGADMN O=C1NC(=O)C(=CNC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000053194642 1406323195 /nfs/dbraw/zinc/32/31/95/1406323195.db2.gz FHPBRBOKBULEAJ-DEDYPNTBSA-N 0 1 395.890 3.205 20 0 GGADMN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC[C@@H]3C3CCCCC3)n12 ZINC000053212294 1406327641 /nfs/dbraw/zinc/32/76/41/1406327641.db2.gz RLKHLIXNZRTQNY-GOSISDBHSA-N 0 1 379.508 3.434 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000053237398 1406339277 /nfs/dbraw/zinc/33/92/77/1406339277.db2.gz JOKVDQCNHBBXDO-UHFFFAOYSA-N 0 1 387.911 3.244 20 0 GGADMN CCCCN(C)C(=O)C1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1 ZINC000053239864 1406341440 /nfs/dbraw/zinc/34/14/40/1406341440.db2.gz VOUDWPRHRLFSLF-UHFFFAOYSA-N 0 1 386.492 3.272 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000053238484 1406341740 /nfs/dbraw/zinc/34/17/40/1406341740.db2.gz CKWUBKPWWRQKFG-UHFFFAOYSA-N 0 1 390.531 3.347 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)N2CCCC2)cc1 ZINC000053266837 1406348668 /nfs/dbraw/zinc/34/86/68/1406348668.db2.gz CBOQLUJMKUFPFY-NRFANRHFSA-N 0 1 393.487 3.147 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000053273886 1406352145 /nfs/dbraw/zinc/35/21/45/1406352145.db2.gz ZAGRHMJSUMICBE-MOPGFXCFSA-N 0 1 383.517 3.431 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000053273884 1406352175 /nfs/dbraw/zinc/35/21/75/1406352175.db2.gz ZAGRHMJSUMICBE-OALUTQOASA-N 0 1 383.517 3.431 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2csc(-c3ccccn3)n2)N(C)C)c1 ZINC000053271257 1406350738 /nfs/dbraw/zinc/35/07/38/1406350738.db2.gz OZONWAFDWPYDQQ-LJQANCHMSA-N 0 1 396.516 3.175 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSCc2csc(C)n2)N(C)C)c1 ZINC000053272165 1406350905 /nfs/dbraw/zinc/35/09/05/1406350905.db2.gz QJHNIUXHMHRWJL-KRWDZBQOSA-N 0 1 379.551 3.112 20 0 GGADMN CCOC(=O)Nc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000053271423 1406351366 /nfs/dbraw/zinc/35/13/66/1406351366.db2.gz JIOVLSDXAJRDLD-IBGZPJMESA-N 0 1 385.464 3.296 20 0 GGADMN COCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1 ZINC000053272379 1406352376 /nfs/dbraw/zinc/35/23/76/1406352376.db2.gz KZMFXHYIZIOESZ-UHFFFAOYSA-N 0 1 383.492 3.024 20 0 GGADMN COc1cccc(NC(=O)CN(C)C(=O)CN2CCC[C@H]2c2ccccc2C)c1 ZINC000053279515 1406354059 /nfs/dbraw/zinc/35/40/59/1406354059.db2.gz HFLHKTWLLLESAC-NRFANRHFSA-N 0 1 395.503 3.238 20 0 GGADMN Cc1ccccc1[C@@H]1CCCN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000053279987 1406354525 /nfs/dbraw/zinc/35/45/25/1406354525.db2.gz HXNTYTANEXYZSC-QFIPXVFZSA-N 0 1 391.515 3.341 20 0 GGADMN NC(=O)CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000053288343 1406356409 /nfs/dbraw/zinc/35/64/09/1406356409.db2.gz KXNRKWXGVYGAJB-UHFFFAOYSA-N 0 1 384.823 3.237 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000053340180 1406369185 /nfs/dbraw/zinc/36/91/85/1406369185.db2.gz LUMLZOZXGYSNPP-UHFFFAOYSA-N 0 1 384.461 3.458 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2OC)o1 ZINC000053352982 1406373320 /nfs/dbraw/zinc/37/33/20/1406373320.db2.gz XZZQHBVOGXKHNI-HXUWFJFHSA-N 0 1 396.491 3.383 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)CCC(C)C ZINC000053361056 1406375642 /nfs/dbraw/zinc/37/56/42/1406375642.db2.gz OMGLSUPUHKUYBR-UHFFFAOYSA-N 0 1 395.569 3.086 20 0 GGADMN Cc1cc(NC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)ccc1C(N)=O ZINC000176268537 1428208502 /nfs/dbraw/zinc/20/85/02/1428208502.db2.gz OPLZDHCLKOFUDU-UHFFFAOYSA-N 0 1 386.540 3.458 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000053398896 1406383590 /nfs/dbraw/zinc/38/35/90/1406383590.db2.gz WKLDBPYQXCKFOK-CYBMUJFWSA-N 0 1 378.407 3.318 20 0 GGADMN Cc1ccccc1[C@H](OC[C@@H](O)CN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000053400917 1406384943 /nfs/dbraw/zinc/38/49/43/1406384943.db2.gz MZHAGQBBFRFPLN-JTHBVZDNSA-N 0 1 379.504 3.327 20 0 GGADMN Cc1cc([C@@H]2CCCN2C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)on1 ZINC000053400566 1406385024 /nfs/dbraw/zinc/38/50/24/1406385024.db2.gz UBDKRMXHXIUOLA-HNNXBMFYSA-N 0 1 384.461 3.109 20 0 GGADMN Cc1ccc([C@@H](OC[C@@H](O)CN(C)Cc2cnn(C)c2)c2ccccc2)cc1 ZINC000053400908 1406385503 /nfs/dbraw/zinc/38/55/03/1406385503.db2.gz UABFNGQYCBYNBA-GOTSBHOMSA-N 0 1 379.504 3.327 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cc1F ZINC000053414793 1406388317 /nfs/dbraw/zinc/38/83/17/1406388317.db2.gz IPMYSYJSOHVUIB-UHFFFAOYSA-N 0 1 386.471 3.149 20 0 GGADMN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1cnn(Cc2ccccc2)c1 ZINC000053422083 1406391142 /nfs/dbraw/zinc/39/11/42/1406391142.db2.gz FQRXQFNMFMOSIE-UHFFFAOYSA-N 0 1 388.471 3.050 20 0 GGADMN O[C@@H](CN1CCN(CCCc2nc(-c3cccs3)no2)CC1)c1ccccc1 ZINC000053431726 1406393125 /nfs/dbraw/zinc/39/31/25/1406393125.db2.gz BGHVXHMKIGXKSC-SFHVURJKSA-N 0 1 398.532 3.082 20 0 GGADMN CC(=O)Nc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)ccc1F ZINC000053459611 1406399780 /nfs/dbraw/zinc/39/97/80/1406399780.db2.gz OWBQUZVGVOHBRS-UHFFFAOYSA-N 0 1 383.467 3.351 20 0 GGADMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000053471487 1406407321 /nfs/dbraw/zinc/40/73/21/1406407321.db2.gz XHHCENAISDLVBV-CYBMUJFWSA-N 0 1 380.452 3.323 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3scnc3Cl)cc2)C[C@H](C)O1 ZINC000053477626 1406411168 /nfs/dbraw/zinc/41/11/68/1406411168.db2.gz AYBBYNBHWJPVPU-STQMWFEESA-N 0 1 379.913 3.336 20 0 GGADMN CC(=O)Nc1ccc(F)c(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000053483060 1406413296 /nfs/dbraw/zinc/41/32/96/1406413296.db2.gz NGFQPZUDIRXBJJ-UHFFFAOYSA-N 0 1 383.467 3.441 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N(CC(F)(F)F)C(C)C)n2)cc1 ZINC000053484678 1406414215 /nfs/dbraw/zinc/41/42/15/1406414215.db2.gz ZZGDNUXMUXVUAI-UHFFFAOYSA-N 0 1 388.415 3.372 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CSc3ncc4ccccn43)CC2)cc1 ZINC000053509300 1406419843 /nfs/dbraw/zinc/41/98/43/1406419843.db2.gz SZFDTMFIRFXDOK-UHFFFAOYSA-N 0 1 394.544 3.469 20 0 GGADMN O=C(COc1ccc(F)cc1F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000053514965 1406421916 /nfs/dbraw/zinc/42/19/16/1406421916.db2.gz XGEKKUKYJOENHE-UHFFFAOYSA-N 0 1 378.394 3.264 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCN(c2ccccc2O)CC1 ZINC000053522762 1406425029 /nfs/dbraw/zinc/42/50/29/1406425029.db2.gz UUWSFDNHFUOMFL-LJQANCHMSA-N 0 1 398.507 3.044 20 0 GGADMN COc1ccc(OCCN(C)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000053529474 1406428491 /nfs/dbraw/zinc/42/84/91/1406428491.db2.gz XNNBYEVJAOZDQL-KRWDZBQOSA-N 0 1 377.510 3.080 20 0 GGADMN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1NC(=O)c1ccco1 ZINC000053524710 1406426549 /nfs/dbraw/zinc/42/65/49/1406426549.db2.gz REGWWKVGASUPRK-UHFFFAOYSA-N 0 1 388.387 3.273 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1 ZINC000053528471 1406427463 /nfs/dbraw/zinc/42/74/63/1406427463.db2.gz VZPOCSRTNLNAGE-QGZVFWFLSA-N 0 1 376.501 3.022 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000053530058 1406428701 /nfs/dbraw/zinc/42/87/01/1406428701.db2.gz ZBCRNTRKAHKWRS-QGZVFWFLSA-N 0 1 376.501 3.022 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000053529591 1406428742 /nfs/dbraw/zinc/42/87/42/1406428742.db2.gz SGJAYKJRLRPERZ-SFHVURJKSA-N 0 1 383.521 3.378 20 0 GGADMN CN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000053534991 1406430868 /nfs/dbraw/zinc/43/08/68/1406430868.db2.gz YZXFRWUVQLLPCX-KRWDZBQOSA-N 0 1 385.464 3.029 20 0 GGADMN CN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000053534996 1406430970 /nfs/dbraw/zinc/43/09/70/1406430970.db2.gz YZXFRWUVQLLPCX-QGZVFWFLSA-N 0 1 385.464 3.029 20 0 GGADMN Cc1cccc(N2CCN(C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2)c1 ZINC000053534827 1406431086 /nfs/dbraw/zinc/43/10/86/1406431086.db2.gz XYIDUNSAPFVBSG-FQEVSTJZSA-N 0 1 382.508 3.257 20 0 GGADMN COc1ccc(OCCN(C)C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000053534386 1406431196 /nfs/dbraw/zinc/43/11/96/1406431196.db2.gz VCTGECRLRVZQLU-LJQANCHMSA-N 0 1 387.480 3.146 20 0 GGADMN Cc1cccc(NC(=O)CN(C)C(=O)NC[C@H](c2ccco2)N2CCCC2)c1C ZINC000053533847 1406431262 /nfs/dbraw/zinc/43/12/62/1406431262.db2.gz HUBYWKWXSRNQST-LJQANCHMSA-N 0 1 398.507 3.313 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)Cc2ccc(OC)c(F)c2)N(C)C)c1 ZINC000053539774 1406433074 /nfs/dbraw/zinc/43/30/74/1406433074.db2.gz LEKKXZJVSVQPHL-LJQANCHMSA-N 0 1 389.471 3.287 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)CCOc2ccccc2C)N(C)C)c1 ZINC000053539959 1406433148 /nfs/dbraw/zinc/43/31/48/1406433148.db2.gz CHECPXRDIXHSFP-HXUWFJFHSA-N 0 1 385.508 3.327 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)Cc2ccc(OC)c(F)c2)N(C)C)c1 ZINC000053539769 1406433176 /nfs/dbraw/zinc/43/31/76/1406433176.db2.gz LEKKXZJVSVQPHL-IBGZPJMESA-N 0 1 389.471 3.287 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCN(c3ccccc3C)CC2)N(C)C)c1 ZINC000053539313 1406433347 /nfs/dbraw/zinc/43/33/47/1406433347.db2.gz SMKKHRQQVZIBKX-QFIPXVFZSA-N 0 1 396.535 3.138 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1F ZINC000053538776 1406433589 /nfs/dbraw/zinc/43/35/89/1406433589.db2.gz BSUKKXOLRNISBC-GOSISDBHSA-N 0 1 377.435 3.418 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000053538472 1406433696 /nfs/dbraw/zinc/43/36/96/1406433696.db2.gz RZGHZLAHFGJTGS-FQEVSTJZSA-N 0 1 388.462 3.099 20 0 GGADMN COc1ccc(CN(C)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1F ZINC000053538771 1406433714 /nfs/dbraw/zinc/43/37/14/1406433714.db2.gz BSUKKXOLRNISBC-SFHVURJKSA-N 0 1 377.435 3.418 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCN(c3cccc(C)c3)CC2)N(C)C)c1 ZINC000053539618 1406433768 /nfs/dbraw/zinc/43/37/68/1406433768.db2.gz AGOFKNFVWHAJII-JOCHJYFZSA-N 0 1 396.535 3.138 20 0 GGADMN Cc1ccccc1CN1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000053551334 1406440631 /nfs/dbraw/zinc/44/06/31/1406440631.db2.gz DDWYFJGYNQNKPY-UHFFFAOYSA-N 0 1 384.487 3.422 20 0 GGADMN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(CN2CCOCC2)CC1 ZINC000053564135 1406444482 /nfs/dbraw/zinc/44/44/82/1406444482.db2.gz GKACZEIBHWKWKF-UHFFFAOYSA-N 0 1 389.883 3.179 20 0 GGADMN CC(C)c1c(C(=O)N2CCC(CN3CCOCC3)CC2)cnn1-c1ccccc1 ZINC000053564050 1406444769 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COc1cccc([C@H](CNC(=O)NCc2ccccc2OC(F)F)N(C)C)c1 ZINC000054921241 1406852002 /nfs/dbraw/zinc/85/20/02/1406852002.db2.gz DPSZAWOCYASGBT-KRWDZBQOSA-N 0 1 393.434 3.399 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000054939152 1406853159 /nfs/dbraw/zinc/85/31/59/1406853159.db2.gz ZBSXSHBEVZQIPR-QAPCUYQASA-N 0 1 383.517 3.299 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054940057 1406854036 /nfs/dbraw/zinc/85/40/36/1406854036.db2.gz FGPOSZSIQJNTMR-PKOBYXMFSA-N 0 1 395.503 3.284 20 0 GGADMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCCC3)C1 ZINC000054939601 1406854070 /nfs/dbraw/zinc/85/40/70/1406854070.db2.gz AYMJTCDPHWMVDG-XLIONFOSSA-N 0 1 391.515 3.456 20 0 GGADMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000054939381 1406854206 /nfs/dbraw/zinc/85/42/06/1406854206.db2.gz OJBQTHGLUZYSJH-KKSFZXQISA-N 0 1 377.488 3.066 20 0 GGADMN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054940119 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GGADMN COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)C(C)C)cc2)N(C)C)c1 ZINC000028840937 1400201630 /nfs/dbraw/zinc/20/16/30/1400201630.db2.gz NDCQOJMLMTXMPL-FQEVSTJZSA-N 0 1 383.492 3.322 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc(N(C)C)nc2)N2CCCCC2)cc1 ZINC000028843862 1400202674 /nfs/dbraw/zinc/20/26/74/1400202674.db2.gz CFIJXAJAPQLRPX-FQEVSTJZSA-N 0 1 382.508 3.113 20 0 GGADMN O=C(CCN1CCN(c2ccccc2O)CC1)N[C@@H]1CCCc2ccccc21 ZINC000028843779 1400202727 /nfs/dbraw/zinc/20/27/27/1400202727.db2.gz ZJCUTQMMRQAYPF-HXUWFJFHSA-N 0 1 379.504 3.098 20 0 GGADMN O=C(CCN1CCN(c2ccccc2F)CC1)NCc1ccccc1Cl ZINC000028843449 1400202844 /nfs/dbraw/zinc/20/28/44/1400202844.db2.gz QIBBVDPELLJSTO-UHFFFAOYSA-N 0 1 375.875 3.308 20 0 GGADMN CN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1F ZINC000028852522 1400203462 /nfs/dbraw/zinc/20/34/62/1400203462.db2.gz OKPMCHGCMGEKKZ-UHFFFAOYSA-N 0 1 389.496 3.326 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2nnc(C(C)(C)C)[nH]2)c1 ZINC000028857027 1400204388 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O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000043233700 1403730866 /nfs/dbraw/zinc/73/08/66/1403730866.db2.gz MPDRSFYKUOOLDG-UHFFFAOYSA-N 0 1 392.425 3.043 20 0 GGADMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)NNC(=O)c1ccccc1 ZINC000043307301 1403744575 /nfs/dbraw/zinc/74/45/75/1403744575.db2.gz HADWTAASBJNGGU-SFHVURJKSA-N 0 1 386.883 3.121 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCn3cccc3[C@@H]2C)N2CCCC2)c1 ZINC000043307044 1403744727 /nfs/dbraw/zinc/74/47/27/1403744727.db2.gz QSVOVICCJOJULG-UWJYYQICSA-N 0 1 382.508 3.420 20 0 GGADMN CCN(Cc1ccncc1)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000043306894 1403745007 /nfs/dbraw/zinc/74/50/07/1403745007.db2.gz HDUNJYUZILYHKB-OAQYLSRUSA-N 0 1 382.508 3.459 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000056529416 1407354131 /nfs/dbraw/zinc/35/41/31/1407354131.db2.gz FQLMKSJIULRFOM-HNNXBMFYSA-N 0 1 376.482 3.375 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000043349201 1403751592 /nfs/dbraw/zinc/75/15/92/1403751592.db2.gz UAVMRYAXKNKGLS-QGZVFWFLSA-N 0 1 382.936 3.051 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1cccc(Cl)c1F ZINC000043450131 1403763635 /nfs/dbraw/zinc/76/36/35/1403763635.db2.gz AQOAAECNDKETJZ-OAHLLOKOSA-N 0 1 377.847 3.020 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043454884 1403764284 /nfs/dbraw/zinc/76/42/84/1403764284.db2.gz CNMZJPIZGMAFBA-GASCZTMLSA-N 0 1 380.920 3.123 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC(OC)CC2)CC1 ZINC000043454701 1403764297 /nfs/dbraw/zinc/76/42/97/1403764297.db2.gz TUJCCTOUXYSJPT-UHFFFAOYSA-N 0 1 380.920 3.125 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCCc3ccccc3F)CC2)cc1 ZINC000043480598 1403767990 /nfs/dbraw/zinc/76/79/90/1403767990.db2.gz JPFIKBFQPNFAJZ-UHFFFAOYSA-N 0 1 385.483 3.294 20 0 GGADMN CC(=O)Nc1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000043490112 1403772329 /nfs/dbraw/zinc/77/23/29/1403772329.db2.gz UTGMQJJWKYARNK-UHFFFAOYSA-N 0 1 395.507 3.027 20 0 GGADMN COCc1ccccc1CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000043490383 1403772802 /nfs/dbraw/zinc/77/28/02/1403772802.db2.gz ZECDRDPZLOOAAS-UHFFFAOYSA-N 0 1 382.508 3.215 20 0 GGADMN COCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000043490222 1403772838 /nfs/dbraw/zinc/77/28/38/1403772838.db2.gz LSGPTDAKFXAVOL-UHFFFAOYSA-N 0 1 396.535 3.427 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000043493606 1403774536 /nfs/dbraw/zinc/77/45/36/1403774536.db2.gz MRIYPNYIPOKMQL-SFHVURJKSA-N 0 1 391.512 3.106 20 0 GGADMN COc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1OC(F)F ZINC000043544896 1403782656 /nfs/dbraw/zinc/78/26/56/1403782656.db2.gz XBADYOLMGYCWLT-OAHLLOKOSA-N 0 1 376.403 3.301 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H](C)O1 ZINC000043548774 1403783765 /nfs/dbraw/zinc/78/37/65/1403783765.db2.gz QJUDFXSJKMABJV-HZPDHXFCSA-N 0 1 389.496 3.349 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000043574117 1403787124 /nfs/dbraw/zinc/78/71/24/1403787124.db2.gz WYGMEVXJTLUMCS-LJQANCHMSA-N 0 1 384.455 3.377 20 0 GGADMN C[C@H](CNC(=O)Nc1ccn(-c2ccccc2)n1)N1CCc2ccccc2C1 ZINC000043621140 1403792137 /nfs/dbraw/zinc/79/21/37/1403792137.db2.gz NVVLQKWGFSFIHH-QGZVFWFLSA-N 0 1 375.476 3.441 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)NCC2CC2)ccc1C ZINC000043656732 1403797564 /nfs/dbraw/zinc/79/75/64/1403797564.db2.gz YOMDHVBANGRBCN-UHFFFAOYSA-N 0 1 389.477 3.336 20 0 GGADMN CNC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000043672653 1403800831 /nfs/dbraw/zinc/80/08/31/1403800831.db2.gz GWBUZVIUFYUCIA-HXUWFJFHSA-N 0 1 396.491 3.013 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000043679478 1403801322 /nfs/dbraw/zinc/80/13/22/1403801322.db2.gz MDNSMCKQNVPVAQ-UHFFFAOYSA-N 0 1 380.492 3.176 20 0 GGADMN NC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000043714520 1403806300 /nfs/dbraw/zinc/80/63/00/1403806300.db2.gz YKWNEINDQPAATN-GOSISDBHSA-N 0 1 386.883 3.398 20 0 GGADMN C[C@H](Sc1nc(N)cc(N)n1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000043734912 1403809506 /nfs/dbraw/zinc/80/95/06/1403809506.db2.gz AIIAYZBIJFPJCD-ZETCQYMHSA-N 0 1 386.462 3.052 20 0 GGADMN CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000043753739 1403812247 /nfs/dbraw/zinc/81/22/47/1403812247.db2.gz MFOQSPPZGIEKHR-JCZXDDDQSA-N 0 1 375.472 3.383 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)n(-c2ccccn2)n1 ZINC000043786312 1403816561 /nfs/dbraw/zinc/81/65/61/1403816561.db2.gz XLCPDTYGKXDZHZ-KRWDZBQOSA-N 0 1 382.443 3.139 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cc(C)nn2-c2ccccn2)N(C)C)c1 ZINC000043786310 1403816606 /nfs/dbraw/zinc/81/66/06/1403816606.db2.gz LPSYSORBYZAOOD-GOSISDBHSA-N 0 1 394.479 3.009 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)n(-c2ccccn2)n1 ZINC000043786314 1403816765 /nfs/dbraw/zinc/81/67/65/1403816765.db2.gz XLCPDTYGKXDZHZ-QGZVFWFLSA-N 0 1 382.443 3.139 20 0 GGADMN C[C@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)N1CCc2ccccc21 ZINC000043799124 1403818988 /nfs/dbraw/zinc/81/89/88/1403818988.db2.gz YZHZFYJMYVZCRL-GOSISDBHSA-N 0 1 393.535 3.011 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccccc1N1CCN(C)CC1)N1CCc2ccccc21 ZINC000043799122 1403819097 /nfs/dbraw/zinc/81/90/97/1403819097.db2.gz YZHZFYJMYVZCRL-SFHVURJKSA-N 0 1 393.535 3.011 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1cccc(F)c1 ZINC000056554124 1407359525 /nfs/dbraw/zinc/35/95/25/1407359525.db2.gz AHTPWLDCBYKYBW-UXHICEINSA-N 0 1 389.471 3.412 20 0 GGADMN C[C@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)c1nc2ccccc2[nH]1 ZINC000043800520 1403819507 /nfs/dbraw/zinc/81/95/07/1403819507.db2.gz CCJJEMQBWWVLII-HNNXBMFYSA-N 0 1 378.480 3.197 20 0 GGADMN C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043800236 1403819589 /nfs/dbraw/zinc/81/95/89/1403819589.db2.gz HBSYPFMFFJCSLV-KRWDZBQOSA-N 0 1 382.508 3.287 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)N1CCOCC1 ZINC000043806852 1403820470 /nfs/dbraw/zinc/82/04/70/1403820470.db2.gz VKNQQYHKGVSLGL-QFIPXVFZSA-N 0 1 383.536 3.273 20 0 GGADMN CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000043807944 1403821038 /nfs/dbraw/zinc/82/10/38/1403821038.db2.gz AREWUHMAYKVOAN-UHFFFAOYSA-N 0 1 390.852 3.354 20 0 GGADMN CCN(C(=O)NC[C@@H]1CN(CC(C)C)CCO1)[C@H](C)c1cccc(OC)c1 ZINC000043821269 1403821570 /nfs/dbraw/zinc/82/15/70/1403821570.db2.gz NLGCZICBENHZFS-YLJYHZDGSA-N 0 1 377.529 3.145 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000043821082 1403821889 /nfs/dbraw/zinc/82/18/89/1403821889.db2.gz NFWDHJYYLHKHRP-FXAWDEMLSA-N 0 1 377.529 3.191 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)ccc21 ZINC000043827021 1403823663 /nfs/dbraw/zinc/82/36/63/1403823663.db2.gz GUPWAZVOGFJFLC-FQEVSTJZSA-N 0 1 384.455 3.159 20 0 GGADMN Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000043830360 1403824858 /nfs/dbraw/zinc/82/48/58/1403824858.db2.gz LDSCBOANKAIIJE-LJQANCHMSA-N 0 1 395.569 3.277 20 0 GGADMN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000043838063 1403826858 /nfs/dbraw/zinc/82/68/58/1403826858.db2.gz NOJOLQXWYMSGFB-UHFFFAOYSA-N 0 1 387.399 3.490 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000043847885 1403830099 /nfs/dbraw/zinc/83/00/99/1403830099.db2.gz PYIUNYVGGPQNPC-SFHVURJKSA-N 0 1 382.464 3.365 20 0 GGADMN C[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000043861405 1403833636 /nfs/dbraw/zinc/83/36/36/1403833636.db2.gz BQPKDDGEPKAXGT-SFHVURJKSA-N 0 1 385.552 3.380 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000043879085 1403839671 /nfs/dbraw/zinc/83/96/71/1403839671.db2.gz LSNVKFCEKVSPNM-BETUJISGSA-N 0 1 375.391 3.206 20 0 GGADMN CCS(=O)(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000043953010 1403852292 /nfs/dbraw/zinc/85/22/92/1403852292.db2.gz VMCIUDZOHMCFAT-SFHVURJKSA-N 0 1 393.484 3.044 20 0 GGADMN Cc1ccccc1OCCNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000056561973 1407361888 /nfs/dbraw/zinc/36/18/88/1407361888.db2.gz NTSMMVLLAPQRQA-UHFFFAOYSA-N 0 1 382.508 3.256 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000043959207 1403852893 /nfs/dbraw/zinc/85/28/93/1403852893.db2.gz RYVZGJOXCWYSLJ-CQSZACIVSA-N 0 1 389.418 3.106 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccccc2OCC(F)(F)F)C1 ZINC000043959210 1403852939 /nfs/dbraw/zinc/85/29/39/1403852939.db2.gz RYVZGJOXCWYSLJ-AWEZNQCLSA-N 0 1 389.418 3.106 20 0 GGADMN Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ncnc2c1cnn2-c1ccccc1 ZINC000043976790 1403855020 /nfs/dbraw/zinc/85/50/20/1403855020.db2.gz BJEYESLJJITGCQ-UHFFFAOYSA-N 0 1 387.378 3.031 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000043991693 1403856666 /nfs/dbraw/zinc/85/66/66/1403856666.db2.gz SAIONWJSZWZKKO-UHFFFAOYSA-N 0 1 380.492 3.128 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1 ZINC000044013208 1403859626 /nfs/dbraw/zinc/85/96/26/1403859626.db2.gz IDPLLSGSEGTPFF-QGZVFWFLSA-N 0 1 375.476 3.441 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000044014055 1403860282 /nfs/dbraw/zinc/86/02/82/1403860282.db2.gz ARMABAQYNOGSAM-UHFFFAOYSA-N 0 1 392.503 3.102 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044031389 1403863023 /nfs/dbraw/zinc/86/30/23/1403863023.db2.gz OTHQNEGCUBWWBZ-CALCHBBNSA-N 0 1 390.528 3.292 20 0 GGADMN CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000044031499 1403863091 /nfs/dbraw/zinc/86/30/91/1403863091.db2.gz VBODVJQUBAUFNH-LJQANCHMSA-N 0 1 390.528 3.150 20 0 GGADMN CC(=O)Nc1ccc(F)c(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000044076386 1403870722 /nfs/dbraw/zinc/87/07/22/1403870722.db2.gz NYSAHYRFFIJMGU-AWEZNQCLSA-N 0 1 384.455 3.352 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)Nc3ccccc3N(C)C)CC2)c1 ZINC000044081070 1403872103 /nfs/dbraw/zinc/87/21/03/1403872103.db2.gz BRRRRDQRIZTKMZ-UHFFFAOYSA-N 0 1 395.551 3.395 20 0 GGADMN CCC(CC)[C@H](CNC(=S)Nc1ccc(C(C)=O)cc1)N1CCOCC1 ZINC000044105147 1403876413 /nfs/dbraw/zinc/87/64/13/1403876413.db2.gz TVHMYZUILIFOGZ-IBGZPJMESA-N 0 1 377.554 3.313 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1cccs1 ZINC000044141449 1403883741 /nfs/dbraw/zinc/88/37/41/1403883741.db2.gz XBBWYJVUYJAJIX-QGZVFWFLSA-N 0 1 386.521 3.409 20 0 GGADMN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000044143352 1403884449 /nfs/dbraw/zinc/88/44/49/1403884449.db2.gz HNQLBDIIFRNOLT-UHFFFAOYSA-N 0 1 386.540 3.190 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000044149847 1403886925 /nfs/dbraw/zinc/88/69/25/1403886925.db2.gz ANKNDXHMCXMLCE-QGZVFWFLSA-N 0 1 388.537 3.240 20 0 GGADMN CC(C)NC(=O)Cc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000044149845 1403887210 /nfs/dbraw/zinc/88/72/10/1403887210.db2.gz ANKNDXHMCXMLCE-KRWDZBQOSA-N 0 1 388.537 3.240 20 0 GGADMN CCOC(=O)COc1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000044150950 1403887791 /nfs/dbraw/zinc/88/77/91/1403887791.db2.gz UDNJZAGBJKEPOH-QGZVFWFLSA-N 0 1 391.493 3.114 20 0 GGADMN CNC(=O)c1cccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1C ZINC000044177508 1403894912 /nfs/dbraw/zinc/89/49/12/1403894912.db2.gz SXKKLFCIQQSKRN-GOSISDBHSA-N 0 1 384.480 3.296 20 0 GGADMN CNC(=O)c1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1C ZINC000044177506 1403894985 /nfs/dbraw/zinc/89/49/85/1403894985.db2.gz SXKKLFCIQQSKRN-SFHVURJKSA-N 0 1 384.480 3.296 20 0 GGADMN CCN1CCC[C@@H]1CNC(=S)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000044182418 1403896266 /nfs/dbraw/zinc/89/62/66/1403896266.db2.gz BXEAZORYOOMYPV-MRXNPFEDSA-N 0 1 395.519 3.218 20 0 GGADMN Cc1cc(C)n(-c2ccccc2NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000044208884 1403900016 /nfs/dbraw/zinc/90/00/16/1403900016.db2.gz WMISQKRILZMLPG-QZTJIDSGSA-N 0 1 385.512 3.110 20 0 GGADMN S=C(NCCSc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000044222215 1403902690 /nfs/dbraw/zinc/90/26/90/1403902690.db2.gz FGXMBOHEZWIOKS-UHFFFAOYSA-N 0 1 386.590 3.302 20 0 GGADMN CCCc1cc(C(=O)N(CCC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)n[nH]1 ZINC000044228291 1403904464 /nfs/dbraw/zinc/90/44/64/1403904464.db2.gz SFZFRKWXRDKGQY-UHFFFAOYSA-N 0 1 387.871 3.305 20 0 GGADMN CN(C)c1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1Cl ZINC000044244250 1403907014 /nfs/dbraw/zinc/90/70/14/1403907014.db2.gz YBZBXOGGISPQCD-UHFFFAOYSA-N 0 1 390.690 3.364 20 0 GGADMN CCCc1cc(C(=O)N(CCC)CC(=O)Nc2ccc(F)c(F)c2F)n[nH]1 ZINC000044250149 1403908714 /nfs/dbraw/zinc/90/87/14/1403908714.db2.gz FCKBDXABQZUUOZ-UHFFFAOYSA-N 0 1 382.386 3.270 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1cccc(F)c1 ZINC000044266347 1403911225 /nfs/dbraw/zinc/91/12/25/1403911225.db2.gz BDQHLTJUJRPQRZ-HXUWFJFHSA-N 0 1 381.455 3.495 20 0 GGADMN CN(CCCNC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccccc1F ZINC000056572620 1407364907 /nfs/dbraw/zinc/36/49/07/1407364907.db2.gz UGZHUOWNUXLCHS-UHFFFAOYSA-N 0 1 399.514 3.226 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@@H](C)O1 ZINC000044310083 1403918336 /nfs/dbraw/zinc/91/83/36/1403918336.db2.gz UKMOZXXOXHPKLZ-ZIAGYGMSSA-N 0 1 389.418 3.249 20 0 GGADMN Cc1cnn(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2)c1 ZINC000044313456 1403919044 /nfs/dbraw/zinc/91/90/44/1403919044.db2.gz NUXPGQKHURHCDH-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN Cc1cc(Br)oc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000044331606 1403921397 /nfs/dbraw/zinc/92/13/97/1403921397.db2.gz XTVIDMRIWNAMRY-UHFFFAOYSA-N 0 1 378.270 3.355 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000044359861 1403924983 /nfs/dbraw/zinc/92/49/83/1403924983.db2.gz NFFSEJIKMHGKCF-HXUWFJFHSA-N 0 1 398.507 3.383 20 0 GGADMN CCN(Cc1cccc(NC(=O)NCCN2CCc3ccccc3C2)c1)C(C)=O ZINC000044379103 1403926953 /nfs/dbraw/zinc/92/69/53/1403926953.db2.gz IHRVGHMJCNUERO-UHFFFAOYSA-N 0 1 394.519 3.235 20 0 GGADMN Cc1nc(NC(=O)c2cc(-c3ccccc3)n[nH]2)sc1C1N=NC(=S)N1C ZINC000044380386 1403927775 /nfs/dbraw/zinc/92/77/75/1403927775.db2.gz SKOSIAYAJNMDMI-UHFFFAOYSA-N 0 1 397.489 3.178 20 0 GGADMN O=C1C[C@H](c2noc(-c3cc(-c4ccco4)n[nH]3)n2)CN1Cc1ccccc1 ZINC000044425298 1403932497 /nfs/dbraw/zinc/93/24/97/1403932497.db2.gz HOILMUFLNZQPHP-AWEZNQCLSA-N 0 1 375.388 3.236 20 0 GGADMN Cc1ccc2nc(CNC(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cn2c1 ZINC000056576288 1407366333 /nfs/dbraw/zinc/36/63/33/1407366333.db2.gz HYOAIDQSOXGVJF-UHFFFAOYSA-N 0 1 392.507 3.025 20 0 GGADMN Cc1ccn2cc(CNC(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2c1 ZINC000056576251 1407366707 /nfs/dbraw/zinc/36/67/07/1407366707.db2.gz ZVENWKBMAXIHLH-UHFFFAOYSA-N 0 1 392.507 3.025 20 0 GGADMN CCN(C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1)C1CC1 ZINC000044545161 1403947490 /nfs/dbraw/zinc/94/74/90/1403947490.db2.gz GHVUROPHJJEBLW-UHFFFAOYSA-N 0 1 388.489 3.429 20 0 GGADMN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)cc2)ccc1N1CCN(C)CC1 ZINC000056594550 1407372733 /nfs/dbraw/zinc/37/27/33/1407372733.db2.gz RFZOUYCWUKUEEK-QGZVFWFLSA-N 0 1 382.508 3.205 20 0 GGADMN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)cc2)ccc1N1CCN(C)CC1 ZINC000056594549 1407372789 /nfs/dbraw/zinc/37/27/89/1407372789.db2.gz RFZOUYCWUKUEEK-KRWDZBQOSA-N 0 1 382.508 3.205 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000056582972 1407369228 /nfs/dbraw/zinc/36/92/28/1407369228.db2.gz YMIDPSOUESJBIL-IBGZPJMESA-N 0 1 398.507 3.245 20 0 GGADMN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)c1cccs1 ZINC000044669350 1403980925 /nfs/dbraw/zinc/98/09/25/1403980925.db2.gz RIJURFQLICERIO-NUCSPZLJSA-N 0 1 383.517 3.073 20 0 GGADMN Cc1nc2ccc(NC(=O)[C@@H](NC(=O)NCc3ccccc3)C(C)C)cc2[nH]1 ZINC000044685866 1403983190 /nfs/dbraw/zinc/98/31/90/1403983190.db2.gz KSQFSQHXSNHWGT-IBGZPJMESA-N 0 1 379.464 3.334 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(OC)ccc2OC)N2CCCC2)c1 ZINC000044722028 1403989982 /nfs/dbraw/zinc/98/99/82/1403989982.db2.gz NIYYAXVSNFGWPE-FQEVSTJZSA-N 0 1 384.476 3.279 20 0 GGADMN CN1CCN(c2ccc(NC(=O)COC3CCCC3)c(C(F)(F)F)c2)CC1 ZINC000044796913 1404003631 /nfs/dbraw/zinc/00/36/31/1404003631.db2.gz FSSCCCVOBZRDON-UHFFFAOYSA-N 0 1 385.430 3.355 20 0 GGADMN COc1ccc(COCC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000044839362 1404009986 /nfs/dbraw/zinc/00/99/86/1404009986.db2.gz GQLHXDJWHHIHCM-QFIPXVFZSA-N 0 1 398.503 3.174 20 0 GGADMN COC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000044854641 1404012825 /nfs/dbraw/zinc/01/28/25/1404012825.db2.gz YNTASTUZIAQPQH-IBGZPJMESA-N 0 1 382.460 3.049 20 0 GGADMN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000044858042 1404013277 /nfs/dbraw/zinc/01/32/77/1404013277.db2.gz MLCDBERBHVMLKG-ZDUSSCGKSA-N 0 1 381.505 3.416 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3O)CC2)n[nH]1 ZINC000044902588 1404018828 /nfs/dbraw/zinc/01/88/28/1404018828.db2.gz SBSVFBRYVLQYTI-UHFFFAOYSA-N 0 1 392.459 3.143 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)n[nH]1 ZINC000044959373 1404025399 /nfs/dbraw/zinc/02/53/99/1404025399.db2.gz PJQAAEAEYOYKCW-UHFFFAOYSA-N 0 1 392.459 3.107 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN(Cc1cccs1)C1CC1 ZINC000045008592 1404036665 /nfs/dbraw/zinc/03/66/65/1404036665.db2.gz JEUHWEDDPMBYHQ-QGZVFWFLSA-N 0 1 375.490 3.364 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)[nH]n1 ZINC000045019996 1404038941 /nfs/dbraw/zinc/03/89/41/1404038941.db2.gz AJDIBMSVWGTTDM-GFCCVEGCSA-N 0 1 392.415 3.447 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCN(c2ccccc2Cl)CC1 ZINC000045041162 1404042315 /nfs/dbraw/zinc/04/23/15/1404042315.db2.gz CZBBPRYJAMIZJA-UHFFFAOYSA-N 0 1 398.938 3.230 20 0 GGADMN CCOc1ccc(CN(C)C(=O)NCCN2CCc3ccccc3C2)cc1OC ZINC000045042242 1404043032 /nfs/dbraw/zinc/04/30/32/1404043032.db2.gz VWHKEGXQMPQTLK-UHFFFAOYSA-N 0 1 397.519 3.294 20 0 GGADMN C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)c1ccc(-n2ccnc2)cc1 ZINC000045042324 1404043094 /nfs/dbraw/zinc/04/30/94/1404043094.db2.gz LESBRACIUKUWSS-GOSISDBHSA-N 0 1 389.503 3.291 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000045042223 1404043138 /nfs/dbraw/zinc/04/31/38/1404043138.db2.gz QOTCFPJPXPZAQF-UHFFFAOYSA-N 0 1 389.446 3.488 20 0 GGADMN COc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1cscn1 ZINC000045042551 1404043462 /nfs/dbraw/zinc/04/34/62/1404043462.db2.gz WMUAFGNOMSCDFF-UHFFFAOYSA-N 0 1 389.521 3.145 20 0 GGADMN CON(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000045053141 1404045410 /nfs/dbraw/zinc/04/54/10/1404045410.db2.gz WOLJQQKYJGTDKM-UHFFFAOYSA-N 0 1 389.260 3.428 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)nc3)cn2)CC1 ZINC000045058813 1404046822 /nfs/dbraw/zinc/04/68/22/1404046822.db2.gz ZSRZBSACIQNIQB-UHFFFAOYSA-N 0 1 389.459 3.273 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccccc1N(C)C(=O)C1CC1)c1cccc(F)c1 ZINC000045080065 1404049995 /nfs/dbraw/zinc/04/99/95/1404049995.db2.gz IICYDPZVCOVAQL-HXUWFJFHSA-N 0 1 383.467 3.231 20 0 GGADMN CCCCCn1nc(C(=O)N2CCN(C3CCCC3)CC2)c2ccccc2c1=O ZINC000045083374 1404050457 /nfs/dbraw/zinc/05/04/57/1404050457.db2.gz MFIXRARJWNCZMU-UHFFFAOYSA-N 0 1 396.535 3.287 20 0 GGADMN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCN(C2CCCC2)CC1 ZINC000045085631 1404051342 /nfs/dbraw/zinc/05/13/42/1404051342.db2.gz PHKGLDSELIBUGK-UHFFFAOYSA-N 0 1 382.483 3.201 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCCN1CCc2ccccc2C1 ZINC000045127373 1404058966 /nfs/dbraw/zinc/05/89/66/1404058966.db2.gz SRAVFAAIFHKJMG-UHFFFAOYSA-N 0 1 397.519 3.294 20 0 GGADMN CC(C)[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC000045151091 1404064498 /nfs/dbraw/zinc/06/44/98/1404064498.db2.gz KSLNJUHGBNXYDN-NRFANRHFSA-N 0 1 399.514 3.169 20 0 GGADMN CCN(C[C@H]1CCOC1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182317 1404069003 /nfs/dbraw/zinc/06/90/03/1404069003.db2.gz DOIARLPPJRTEBW-QGZVFWFLSA-N 0 1 379.932 3.372 20 0 GGADMN CCc1c(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cnn1-c1ccccc1 ZINC000045195628 1404072491 /nfs/dbraw/zinc/07/24/91/1404072491.db2.gz JTYKFKZLSDUEHD-JOCHJYFZSA-N 0 1 392.503 3.476 20 0 GGADMN O=C(NCCCCOc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000045253556 1404084842 /nfs/dbraw/zinc/08/48/42/1404084842.db2.gz RNLOKQMTVDORRH-UHFFFAOYSA-N 0 1 382.508 3.204 20 0 GGADMN CC(=O)N[C@H](CC(=O)NCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000045262478 1404086972 /nfs/dbraw/zinc/08/69/72/1404086972.db2.gz UZLQPCVVYAOZRL-OAQYLSRUSA-N 0 1 399.922 3.082 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)[C@@H](C)Oc3cccc(F)c3)CC2)cc1 ZINC000045308158 1404096123 /nfs/dbraw/zinc/09/61/23/1404096123.db2.gz UVRSXWWLUCJZQF-QGZVFWFLSA-N 0 1 386.467 3.336 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)[C@H](C)Oc3cccc(F)c3)CC2)cc1 ZINC000045308155 1404096147 /nfs/dbraw/zinc/09/61/47/1404096147.db2.gz UVRSXWWLUCJZQF-KRWDZBQOSA-N 0 1 386.467 3.336 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccnc2OCC(F)(F)F)N(C)C)c1 ZINC000045311978 1404097014 /nfs/dbraw/zinc/09/70/14/1404097014.db2.gz TWOHSQGKIGPQQT-MRXNPFEDSA-N 0 1 397.397 3.064 20 0 GGADMN Cc1nc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC000045342994 1404102183 /nfs/dbraw/zinc/10/21/83/1404102183.db2.gz ZUAJOFDGYNYWGX-GASCZTMLSA-N 0 1 388.537 3.060 20 0 GGADMN Cc1nc(CNC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cs1 ZINC000045342998 1404102442 /nfs/dbraw/zinc/10/24/42/1404102442.db2.gz ZUAJOFDGYNYWGX-GJZGRUSLSA-N 0 1 388.537 3.060 20 0 GGADMN O=C(NCC1(c2ccccc2)CCC1)NC1CCN(Cc2ccccn2)CC1 ZINC000045372326 1404108491 /nfs/dbraw/zinc/10/84/91/1404108491.db2.gz XDQUOPWAYITGJY-UHFFFAOYSA-N 0 1 378.520 3.467 20 0 GGADMN O=C1c2ccccc2C(=O)N1CCCSc1nc(-c2ccccc2F)n[nH]1 ZINC000045382138 1404111429 /nfs/dbraw/zinc/11/14/29/1404111429.db2.gz VDLXCHDDTLRGMM-UHFFFAOYSA-N 0 1 382.420 3.389 20 0 GGADMN CCN(C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)[C@H](C)c1cccc(OC)c1 ZINC000045455138 1404124450 /nfs/dbraw/zinc/12/44/50/1404124450.db2.gz ZVDAAQIKHUBAMM-FGTMMUONSA-N 0 1 377.529 3.287 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000045454506 1404124553 /nfs/dbraw/zinc/12/45/53/1404124553.db2.gz BGVLEGZKLJFLEH-HOTGVXAUSA-N 0 1 380.508 3.291 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cccc(OCc3cccnc3)c2)C[C@H](C)O1 ZINC000045454455 1404124666 /nfs/dbraw/zinc/12/46/66/1404124666.db2.gz FPYFNJPBDSTFPW-ROUUACIJSA-N 0 1 398.507 3.281 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045454490 1404124717 /nfs/dbraw/zinc/12/47/17/1404124717.db2.gz CJAGCNOEKMDJJZ-KSZLIROESA-N 0 1 377.529 3.333 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000045454507 1404124917 /nfs/dbraw/zinc/12/49/17/1404124917.db2.gz BGVLEGZKLJFLEH-HZPDHXFCSA-N 0 1 380.508 3.291 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045456009 1404125593 /nfs/dbraw/zinc/12/55/93/1404125593.db2.gz KIVKRBSYXWAFHL-FUHIMQAGSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc(CCC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1OC ZINC000045464734 1404127013 /nfs/dbraw/zinc/12/70/13/1404127013.db2.gz YHKQDCBFVICYPU-KRWDZBQOSA-N 0 1 382.504 3.199 20 0 GGADMN CC[N@H+]1CCC[C@H]1CNC(=S)N[N-]C(=O)c1sc2ccccc2c1Cl ZINC000045521956 1404137729 /nfs/dbraw/zinc/13/77/29/1404137729.db2.gz YNHFUXZCYFPPCD-NSHDSACASA-N 0 1 396.969 3.148 20 0 GGADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(C(C)C)CC3)c12 ZINC000045522299 1404137777 /nfs/dbraw/zinc/13/77/77/1404137777.db2.gz QQRPAQTYRMXLFL-UHFFFAOYSA-N 0 1 383.521 3.171 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCc3ccc(O)cc3)cc2)C[C@@H](C)O1 ZINC000045528448 1404139309 /nfs/dbraw/zinc/13/93/09/1404139309.db2.gz MVPGDPOVXYXKAH-IAGOWNOFSA-N 0 1 383.492 3.001 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000045539402 1404142422 /nfs/dbraw/zinc/14/24/22/1404142422.db2.gz FNOWILGJLZCAND-HXUWFJFHSA-N 0 1 392.507 3.272 20 0 GGADMN COc1cccc(Oc2ccc(CNC(=O)NCCCc3cn[nH]c3C)cn2)c1 ZINC000045539290 1404142707 /nfs/dbraw/zinc/14/27/07/1404142707.db2.gz MPPVRNPGALPBKJ-UHFFFAOYSA-N 0 1 395.463 3.346 20 0 GGADMN Cc1n[nH]cc1CCCNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000045540169 1404142791 /nfs/dbraw/zinc/14/27/91/1404142791.db2.gz FBUUDBLXYMQETE-UHFFFAOYSA-N 0 1 391.519 3.331 20 0 GGADMN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NCCCc1cn[nH]c1C ZINC000045539247 1404142887 /nfs/dbraw/zinc/14/28/87/1404142887.db2.gz LDBLHOMHZMDZTE-IBGZPJMESA-N 0 1 386.496 3.050 20 0 GGADMN CCn1c(CNC(=O)NC[C@H](C)N2CCc3ccccc3C2)nc2ccccc21 ZINC000045543720 1404143536 /nfs/dbraw/zinc/14/35/36/1404143536.db2.gz FVKNFXZRGWOSHS-KRWDZBQOSA-N 0 1 391.519 3.302 20 0 GGADMN 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COc1ccccc1-c1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)no1 ZINC000047586853 1404873517 /nfs/dbraw/zinc/87/35/17/1404873517.db2.gz WAPGDSPWKNYGPU-UHFFFAOYSA-N 0 1 392.459 3.354 20 0 GGADMN COCCOCc1cccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000047592102 1404875101 /nfs/dbraw/zinc/87/51/01/1404875101.db2.gz CZGHXJQJNCBTEY-GOSISDBHSA-N 0 1 397.519 3.418 20 0 GGADMN COCCOCc1cccc(NC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000047591534 1404875304 /nfs/dbraw/zinc/87/53/04/1404875304.db2.gz IWLMQOBZXNSPAY-UHFFFAOYSA-N 0 1 383.492 3.029 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000047607559 1404878528 /nfs/dbraw/zinc/87/85/28/1404878528.db2.gz WJYNWRNLNXNQCV-GJZGRUSLSA-N 0 1 394.562 3.144 20 0 GGADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)cc1OC ZINC000047609163 1404879077 /nfs/dbraw/zinc/87/90/77/1404879077.db2.gz XTRWKNIAEXYAOF-LSDHHAIUSA-N 0 1 399.491 3.131 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCO4)cc2)C[C@@H](C)O1 ZINC000047611544 1404879578 /nfs/dbraw/zinc/87/95/78/1404879578.db2.gz MEVLIIUVVJTOHJ-HZPDHXFCSA-N 0 1 397.475 3.346 20 0 GGADMN CC(=O)NC1(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000047623421 1404881111 /nfs/dbraw/zinc/88/11/11/1404881111.db2.gz ONBKGXOZTSWIRG-UHFFFAOYSA-N 0 1 391.943 3.260 20 0 GGADMN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000047632888 1404883068 /nfs/dbraw/zinc/88/30/68/1404883068.db2.gz VGQQFOBYBNNVFB-SFHVURJKSA-N 0 1 380.916 3.211 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c(C)n1Cc1ccccc1 ZINC000047670564 1404890757 /nfs/dbraw/zinc/89/07/57/1404890757.db2.gz ZXXWBRJBIOAMRH-RTBURBONSA-N 0 1 383.536 3.382 20 0 GGADMN O=C(NC[C@H](O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000047680856 1404892196 /nfs/dbraw/zinc/89/21/96/1404892196.db2.gz IRRBODWBQBJALR-FQEVSTJZSA-N 0 1 387.911 3.337 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@@H](O)c2ccccc2)N2CCCCC2)cc1 ZINC000047680375 1404892321 /nfs/dbraw/zinc/89/23/21/1404892321.db2.gz IMCHEVHBFLPFEB-FGZHOGPDSA-N 0 1 397.519 3.255 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCCOC(C)C)N2CCCCC2)cc1 ZINC000047682400 1404892790 /nfs/dbraw/zinc/89/27/90/1404892790.db2.gz MFUHRUFMXYSYGQ-FQEVSTJZSA-N 0 1 377.529 3.337 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc3c2OCO3)cc1 ZINC000047697819 1404894615 /nfs/dbraw/zinc/89/46/15/1404894615.db2.gz PQLMBEBVZBVHHZ-HNNXBMFYSA-N 0 1 390.505 3.297 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(OC(F)F)c(F)c2)C[C@H](C)O1 ZINC000047714261 1404899701 /nfs/dbraw/zinc/89/97/01/1404899701.db2.gz BGNBAELITUWKAN-RYUDHWBXSA-N 0 1 375.391 3.048 20 0 GGADMN CS(=O)(=O)Nc1ccc(CNCc2cc(Br)ccc2F)cc1 ZINC000047750564 1404920676 /nfs/dbraw/zinc/92/06/76/1404920676.db2.gz MNFJQUBJYBLPOH-UHFFFAOYSA-N 0 1 387.274 3.250 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000047766617 1404933265 /nfs/dbraw/zinc/93/32/65/1404933265.db2.gz ZLOAINNESKIFIT-UHFFFAOYSA-N 0 1 397.523 3.252 20 0 GGADMN c1cc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc(N2CCCC2)n1 ZINC000826516022 1428212001 /nfs/dbraw/zinc/21/20/01/1428212001.db2.gz UPDDRCRJMJNQCU-LJQANCHMSA-N 0 1 375.480 3.029 20 0 GGADMN CC(=O)NCC1CCN(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000047772512 1404937121 /nfs/dbraw/zinc/93/71/21/1404937121.db2.gz VEXUHKRBMLZILC-HSZRJFAPSA-N 0 1 387.568 3.471 20 0 GGADMN COc1cc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC(C)C ZINC000047771058 1404937180 /nfs/dbraw/zinc/93/71/80/1404937180.db2.gz YWBBNZWKTPHZIR-UHFFFAOYSA-N 0 1 392.521 3.023 20 0 GGADMN O=C(NCCc1ccc2c(c1)OCO2)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047777676 1404939155 /nfs/dbraw/zinc/93/91/55/1404939155.db2.gz VMGSDZGTMWAELK-KRWDZBQOSA-N 0 1 385.464 3.077 20 0 GGADMN CN(C)C(=O)c1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000047777882 1404939711 /nfs/dbraw/zinc/93/97/11/1404939711.db2.gz YUEJPHXVJXBZPK-IBGZPJMESA-N 0 1 398.507 3.008 20 0 GGADMN CCNC(=O)c1cccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000047778137 1404940741 /nfs/dbraw/zinc/94/07/41/1404940741.db2.gz IDTPKGUBBAEGAY-LJQANCHMSA-N 0 1 398.507 3.056 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cnn(C)c2C)N2CCCCC2)cc1 ZINC000047793990 1404948169 /nfs/dbraw/zinc/94/81/69/1404948169.db2.gz UPOJRBHMFSIKBF-IIBYNOLFSA-N 0 1 399.539 3.325 20 0 GGADMN O=C(c1cc(F)ccc1F)C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000047797462 1404950308 /nfs/dbraw/zinc/95/03/08/1404950308.db2.gz IOHKUDYRVSSRLZ-KRWDZBQOSA-N 0 1 393.405 3.439 20 0 GGADMN CNC(=O)c1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1Cl ZINC000047814007 1404960659 /nfs/dbraw/zinc/96/06/59/1404960659.db2.gz XZSPONPDXRAHQG-KRWDZBQOSA-N 0 1 392.862 3.263 20 0 GGADMN O=S(=O)(c1ccc(CNCc2ccccc2OC(F)F)cc1)N1CCCC1 ZINC000047824342 1404964752 /nfs/dbraw/zinc/96/47/52/1404964752.db2.gz SKIDRFQICHCLRY-UHFFFAOYSA-N 0 1 396.459 3.362 20 0 GGADMN CC(C)c1ccc(C(=O)COC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1 ZINC000047829342 1404965413 /nfs/dbraw/zinc/96/54/13/1404965413.db2.gz VNOYIEJFYCRUEQ-UHFFFAOYSA-N 0 1 393.436 3.360 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCc1ccc(F)cc1Cl ZINC000047830279 1404965718 /nfs/dbraw/zinc/96/57/18/1404965718.db2.gz VKHNQGWNRSCGEZ-UHFFFAOYSA-N 0 1 375.780 3.347 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCCCC2)nc1)c1cccs1 ZINC000047832536 1404966864 /nfs/dbraw/zinc/96/68/64/1404966864.db2.gz SZEUTVNLPGTSJT-KRWDZBQOSA-N 0 1 387.553 3.236 20 0 GGADMN Cc1cccc(OC[C@H](O)CN2CCN(Cc3cccc4cccnc43)CC2)c1 ZINC000047842991 1404970256 /nfs/dbraw/zinc/97/02/56/1404970256.db2.gz DTUQKRYRYYYWLN-JOCHJYFZSA-N 0 1 391.515 3.101 20 0 GGADMN COCCOc1cc(C)ccc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000047854724 1404973029 /nfs/dbraw/zinc/97/30/29/1404973029.db2.gz HNHNCRUJVNKQMA-UHFFFAOYSA-N 0 1 383.492 3.200 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000047861209 1404975343 /nfs/dbraw/zinc/97/53/43/1404975343.db2.gz KETRKJHUXPJBBS-INIZCTEOSA-N 0 1 396.482 3.043 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000047861206 1404975802 /nfs/dbraw/zinc/97/58/02/1404975802.db2.gz KETRKJHUXPJBBS-MRXNPFEDSA-N 0 1 396.482 3.043 20 0 GGADMN O=C(NCc1cccc(Cn2ccnc2)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047871543 1404978349 /nfs/dbraw/zinc/97/83/49/1404978349.db2.gz OVUZGJJSIMVEKD-FQEVSTJZSA-N 0 1 393.491 3.161 20 0 GGADMN O=C(NCCCOc1ccccc1F)NC[C@H](c1ccco1)N1CCCC1 ZINC000047882450 1404982475 /nfs/dbraw/zinc/98/24/75/1404982475.db2.gz KGHZFWDNLGFJIJ-QGZVFWFLSA-N 0 1 375.444 3.324 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000047882608 1404982596 /nfs/dbraw/zinc/98/25/96/1404982596.db2.gz UVAFJTWVDDGAGS-LJQANCHMSA-N 0 1 398.507 3.056 20 0 GGADMN O=C(NCCc1cnn(-c2ccccc2)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047882632 1404982830 /nfs/dbraw/zinc/98/28/30/1404982830.db2.gz BSHJOIADJNRLEK-FQEVSTJZSA-N 0 1 393.491 3.144 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000047882823 1404982850 /nfs/dbraw/zinc/98/28/50/1404982850.db2.gz CLSSORPLYVSSCU-QUCCMNQESA-N 0 1 382.508 3.242 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000826182125 1428212655 /nfs/dbraw/zinc/21/26/55/1428212655.db2.gz ALXCYIKPOVTALA-UHFFFAOYSA-N 0 1 378.461 3.084 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000047920299 1404996949 /nfs/dbraw/zinc/99/69/49/1404996949.db2.gz CYNNKKMIRZASOE-MRXNPFEDSA-N 0 1 387.553 3.154 20 0 GGADMN Cc1ccc(C)c([C@@H](C)NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000047923682 1404998303 /nfs/dbraw/zinc/99/83/03/1404998303.db2.gz YDZIXFXVBRJPBV-GOSISDBHSA-N 0 1 381.524 3.011 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000047936309 1405002429 /nfs/dbraw/zinc/00/24/29/1405002429.db2.gz HDZSIQLKDSVHAV-VBKZILBWSA-N 0 1 386.471 3.447 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCCn1cnc2ccccc21)c1cccc(F)c1 ZINC000047935822 1405002532 /nfs/dbraw/zinc/00/25/32/1405002532.db2.gz ZBXDLVHUWYUFQN-HXUWFJFHSA-N 0 1 383.471 3.168 20 0 GGADMN CCOc1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1OC ZINC000047935884 1405002616 /nfs/dbraw/zinc/00/26/16/1405002616.db2.gz LZMSMXPGSGCPEI-SFHVURJKSA-N 0 1 389.471 3.335 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1cccc(F)c1 ZINC000047936228 1405002637 /nfs/dbraw/zinc/00/26/37/1405002637.db2.gz SJLVZUSSJZMIKU-OAQYLSRUSA-N 0 1 395.482 3.173 20 0 GGADMN CCOCc1ccc(CNC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000047936705 1405002903 /nfs/dbraw/zinc/00/29/03/1405002903.db2.gz OMHXVSLFBLETGU-OAQYLSRUSA-N 0 1 385.508 3.334 20 0 GGADMN COC(=O)Nc1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000047936348 1405002922 /nfs/dbraw/zinc/00/29/22/1405002922.db2.gz RQEXSLPNCZIKFG-GOSISDBHSA-N 0 1 388.443 3.106 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H](C)c2cccc(NC(C)=O)c2)N(C)C)c1 ZINC000047936981 1405003761 /nfs/dbraw/zinc/00/37/61/1405003761.db2.gz WFNTYLPZIKLIKT-VFNWGFHPSA-N 0 1 398.507 3.317 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000047959636 1405009824 /nfs/dbraw/zinc/00/98/24/1405009824.db2.gz PLFGPWBFGYIRCZ-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000822733264 1426268855 /nfs/dbraw/zinc/26/88/55/1426268855.db2.gz WAKVFTHFCOWCAW-LLVKDONJSA-N 0 1 377.317 3.242 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000822733264 1426268859 /nfs/dbraw/zinc/26/88/59/1426268859.db2.gz WAKVFTHFCOWCAW-LLVKDONJSA-N 0 1 377.317 3.242 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC(=O)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000047959635 1405010124 /nfs/dbraw/zinc/01/01/24/1405010124.db2.gz PLFGPWBFGYIRCZ-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN CCN(C(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)c1cccc2ccccc21 ZINC000047980982 1405015259 /nfs/dbraw/zinc/01/52/59/1405015259.db2.gz VDGGPIMJSGHMJB-FQEVSTJZSA-N 0 1 393.531 3.431 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000047981646 1405015479 /nfs/dbraw/zinc/01/54/79/1405015479.db2.gz HOCZPPAKDMHUPY-FVJLSDCUSA-N 0 1 385.552 3.053 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047984094 1405016842 /nfs/dbraw/zinc/01/68/42/1405016842.db2.gz GHQPRMYERLUEBS-HOCLYGCPSA-N 0 1 377.916 3.214 20 0 GGADMN COc1ncccc1CNC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000047987449 1405018779 /nfs/dbraw/zinc/01/87/79/1405018779.db2.gz UDKBDJRZEHXGAH-SFHVURJKSA-N 0 1 388.899 3.380 20 0 GGADMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2cccn2)ccc1Cl ZINC000047991793 1405019534 /nfs/dbraw/zinc/01/95/34/1405019534.db2.gz XVXDWTAJGLOUOZ-UHFFFAOYSA-N 0 1 378.797 3.235 20 0 GGADMN C[C@H](Cn1ccnc1)NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000047988699 1405019965 /nfs/dbraw/zinc/01/99/65/1405019965.db2.gz YAUQEMHBGZAVGD-QAPCUYQASA-N 0 1 375.904 3.061 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCCc3cccs3)cc2)C[C@@H](C)O1 ZINC000048002901 1405021416 /nfs/dbraw/zinc/02/14/16/1405021416.db2.gz NUHIDIZVFBXWOU-IAGOWNOFSA-N 0 1 387.549 3.399 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(-c3nc(C)no3)cc2)n1 ZINC000048011835 1405024842 /nfs/dbraw/zinc/02/48/42/1405024842.db2.gz PVIRRZMKVZZZHH-UHFFFAOYSA-N 0 1 376.376 3.091 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)COc2ccc(F)cc2Cl)n1 ZINC000048011997 1405024865 /nfs/dbraw/zinc/02/48/65/1405024865.db2.gz ZJAAKZWKNIFKSW-UHFFFAOYSA-N 0 1 376.775 3.290 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)CCc2nc(-c3ccsc3)no2)n1 ZINC000048011917 1405024902 /nfs/dbraw/zinc/02/49/02/1405024902.db2.gz YIJUUPVZNZMEFB-UHFFFAOYSA-N 0 1 396.432 3.163 20 0 GGADMN NC(=O)CC1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000048024966 1405028275 /nfs/dbraw/zinc/02/82/75/1405028275.db2.gz WIFUZQMVIHTCAV-UHFFFAOYSA-N 0 1 389.515 3.074 20 0 GGADMN CC(C)CCC[C@@H](C)NC(=O)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046045 1405031015 /nfs/dbraw/zinc/03/10/15/1405031015.db2.gz QAJOZIDLJVXKMV-RBUKOAKNSA-N 0 1 379.589 3.288 20 0 GGADMN CC(C)C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000048046173 1405031264 /nfs/dbraw/zinc/03/12/64/1405031264.db2.gz XZBMSOLDBVVGST-NRFANRHFSA-N 0 1 395.551 3.420 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000048046171 1405031694 /nfs/dbraw/zinc/03/16/94/1405031694.db2.gz RWIUZYXFMMLMGD-RTBURBONSA-N 0 1 385.552 3.399 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc(OC)c1OC ZINC000048051251 1405034416 /nfs/dbraw/zinc/03/44/16/1405034416.db2.gz DAPHAFNQKXFXRI-MRXNPFEDSA-N 0 1 391.443 3.276 20 0 GGADMN CCc1nnc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)s1 ZINC000048053091 1405035543 /nfs/dbraw/zinc/03/55/43/1405035543.db2.gz YSTMUOZVGROKBD-OAHLLOKOSA-N 0 1 389.525 3.458 20 0 GGADMN CCCCNC(=O)C1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000048055085 1405036144 /nfs/dbraw/zinc/03/61/44/1405036144.db2.gz UMQTURKGPYLCTB-QZTJIDSGSA-N 0 1 387.568 3.443 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(F)cc1 ZINC000048059170 1405036953 /nfs/dbraw/zinc/03/69/53/1405036953.db2.gz CXCWMARBSDPWOT-FQEVSTJZSA-N 0 1 398.482 3.486 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCCOCCc2ccccc2)CC1 ZINC000048059306 1405037708 /nfs/dbraw/zinc/03/77/08/1405037708.db2.gz FSJIJNWWKXTDQW-UHFFFAOYSA-N 0 1 396.535 3.209 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000048059327 1405037728 /nfs/dbraw/zinc/03/77/28/1405037728.db2.gz CMNCEDLXANIPFD-UHFFFAOYSA-N 0 1 390.491 3.327 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3OCC)n[nH]2)c1 ZINC000048067581 1405041839 /nfs/dbraw/zinc/04/18/39/1405041839.db2.gz GYBURITXDFAOCN-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN CC(=O)Nc1ccc(F)c(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000048073961 1405043694 /nfs/dbraw/zinc/04/36/94/1405043694.db2.gz LLWMLAOBRDGEHL-GOSISDBHSA-N 0 1 376.407 3.348 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000048076593 1405044221 /nfs/dbraw/zinc/04/42/21/1405044221.db2.gz ACIADQJYABODAN-IBGZPJMESA-N 0 1 375.444 3.275 20 0 GGADMN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000048079142 1405045269 /nfs/dbraw/zinc/04/52/69/1405045269.db2.gz TULHENQUGUNGHL-HXUWFJFHSA-N 0 1 398.482 3.451 20 0 GGADMN COC(=O)c1ccc(F)c(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000048079929 1405045587 /nfs/dbraw/zinc/04/55/87/1405045587.db2.gz NGUYSDQUEDWVFG-QGZVFWFLSA-N 0 1 377.391 3.176 20 0 GGADMN COc1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1NC(C)=O ZINC000048082417 1405046086 /nfs/dbraw/zinc/04/60/86/1405046086.db2.gz LUKFTLFCBXCYJM-SFHVURJKSA-N 0 1 388.443 3.217 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)N1CCc2ccccc2C1 ZINC000048086517 1405048862 /nfs/dbraw/zinc/04/88/62/1405048862.db2.gz TYRQIYHRFCORKE-QGZVFWFLSA-N 0 1 379.508 3.250 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(N(C)C)nc3)cc2)C[C@H](C)O1 ZINC000048091168 1405051412 /nfs/dbraw/zinc/05/14/12/1405051412.db2.gz XLPNWAGPNZTTTP-CALCHBBNSA-N 0 1 397.523 3.079 20 0 GGADMN CC(C)NC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000048104934 1405056247 /nfs/dbraw/zinc/05/62/47/1405056247.db2.gz LYRDCPLZEUCBLW-GOSISDBHSA-N 0 1 384.480 3.376 20 0 GGADMN CC(C)NC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000048108054 1405058304 /nfs/dbraw/zinc/05/83/04/1405058304.db2.gz PEMJXSFEJWTILK-UHFFFAOYSA-N 0 1 395.507 3.006 20 0 GGADMN COC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)c1 ZINC000048116306 1405061861 /nfs/dbraw/zinc/06/18/61/1405061861.db2.gz IOVBGTRCENIAHF-MRXNPFEDSA-N 0 1 381.476 3.350 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c(C)c1 ZINC000048116927 1405061945 /nfs/dbraw/zinc/06/19/45/1405061945.db2.gz HKXIWYFUNMMVMS-KRWDZBQOSA-N 0 1 394.519 3.313 20 0 GGADMN O=C(CN1CCCCCCC1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000048122992 1405064725 /nfs/dbraw/zinc/06/47/25/1405064725.db2.gz WDUHKKUQUAOFHU-UHFFFAOYSA-N 0 1 391.943 3.213 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)[C@H](C)OCc3ccccc3)CC2)cc1 ZINC000048126980 1405066362 /nfs/dbraw/zinc/06/63/62/1405066362.db2.gz NWPFGWDYRSMZMS-IBGZPJMESA-N 0 1 382.504 3.335 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)[C@@H](C)OCc3ccccc3)CC2)cc1 ZINC000048126984 1405066694 /nfs/dbraw/zinc/06/66/94/1405066694.db2.gz NWPFGWDYRSMZMS-LJQANCHMSA-N 0 1 382.504 3.335 20 0 GGADMN O=C(Nc1ccc(-n2cccn2)nc1)N1CCCN(Cc2ccccc2)CC1 ZINC000048140108 1405070225 /nfs/dbraw/zinc/07/02/25/1405070225.db2.gz CLOBGSVQBQWLDB-UHFFFAOYSA-N 0 1 376.464 3.007 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C[C@H](C)O1 ZINC000048138782 1405070300 /nfs/dbraw/zinc/07/03/00/1405070300.db2.gz QGYMPXZDHNEMGG-HOTGVXAUSA-N 0 1 378.492 3.047 20 0 GGADMN CC(C)CNC(=O)c1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1Cl ZINC000048142068 1405071475 /nfs/dbraw/zinc/07/14/75/1405071475.db2.gz CGWOWPDFKCJFSJ-UHFFFAOYSA-N 0 1 392.931 3.285 20 0 GGADMN C[C@H](CNC(=O)Nc1ccccc1-n1cccn1)N1CCc2ccccc2C1 ZINC000048151493 1405077039 /nfs/dbraw/zinc/07/70/39/1405077039.db2.gz IGCXBEFFBXSIHU-QGZVFWFLSA-N 0 1 375.476 3.441 20 0 GGADMN COc1cccc(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1O ZINC000048156727 1405078435 /nfs/dbraw/zinc/07/84/35/1405078435.db2.gz MLMIODDXBASEOY-UHFFFAOYSA-N 0 1 394.811 3.483 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824618976 1426383799 /nfs/dbraw/zinc/38/37/99/1426383799.db2.gz TXGBWLQMIIFBPG-IERDGZPVSA-N 0 1 393.491 3.282 20 0 GGADMN CCCc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)[nH]c(C)c1C(=O)OC ZINC000048166625 1405082886 /nfs/dbraw/zinc/08/28/86/1405082886.db2.gz MNUJVQXSHGWSNV-INIZCTEOSA-N 0 1 387.480 3.222 20 0 GGADMN C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000048168615 1405083212 /nfs/dbraw/zinc/08/32/12/1405083212.db2.gz FNCLWRXMRBOXPX-KBXCAEBGSA-N 0 1 389.883 3.005 20 0 GGADMN Cc1nc2ccccc2n1CCNC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000048173772 1405086523 /nfs/dbraw/zinc/08/65/23/1405086523.db2.gz FJRCYNSDVUPLPD-KRWDZBQOSA-N 0 1 391.519 3.091 20 0 GGADMN Cc1nc2ccccc2n1CCNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000048173771 1405086641 /nfs/dbraw/zinc/08/66/41/1405086641.db2.gz FJRCYNSDVUPLPD-QGZVFWFLSA-N 0 1 391.519 3.091 20 0 GGADMN COc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1OC(F)F ZINC000048179951 1405087953 /nfs/dbraw/zinc/08/79/53/1405087953.db2.gz KZPTVXQRFOKUPV-UHFFFAOYSA-N 0 1 376.403 3.085 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CSCc3cccnc3)cc2)C[C@@H](C)O1 ZINC000048190326 1405092953 /nfs/dbraw/zinc/09/29/53/1405092953.db2.gz NFWZKBKQLRRIOJ-QZTJIDSGSA-N 0 1 399.560 3.240 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cn2)n1 ZINC000048211908 1405098918 /nfs/dbraw/zinc/09/89/18/1405098918.db2.gz LFBRGGARFUAXLN-IBGZPJMESA-N 0 1 396.470 3.448 20 0 GGADMN Cc1c([C@@H](C)NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000048214163 1405099477 /nfs/dbraw/zinc/09/94/77/1405099477.db2.gz ATGNQWKIRLWWKK-CQSZACIVSA-N 0 1 389.931 3.407 20 0 GGADMN CCOC(=O)C1C(CNc2cccc(C(C)=O)c2)=NC(=O)N[C@H]1c1ccccc1 ZINC000048215167 1405100641 /nfs/dbraw/zinc/10/06/41/1405100641.db2.gz YWGLJMHBQFZCAA-FQEVSTJZSA-N 0 1 393.443 3.172 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)CCSCc3ccccn3)CC2)cc1 ZINC000048247057 1405114017 /nfs/dbraw/zinc/11/40/17/1405114017.db2.gz QKPARRUEBJMAEX-UHFFFAOYSA-N 0 1 399.560 3.448 20 0 GGADMN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000048256254 1405118151 /nfs/dbraw/zinc/11/81/51/1405118151.db2.gz IHYWFCKNOWMKPP-IRXDYDNUSA-N 0 1 390.528 3.210 20 0 GGADMN Cn1c2ccccc2c2cc(S(=O)(=O)NC3CCN(C4CC4)CC3)ccc21 ZINC000048279048 1405125993 /nfs/dbraw/zinc/12/59/93/1405125993.db2.gz SBRBFHOFXQJIQA-UHFFFAOYSA-N 0 1 383.517 3.237 20 0 GGADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCCN1CCOCC1 ZINC000048287299 1405129057 /nfs/dbraw/zinc/12/90/57/1405129057.db2.gz ABKXFWSMYZNXTL-IBGZPJMESA-N 0 1 382.504 3.350 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000736287485 1426445713 /nfs/dbraw/zinc/44/57/13/1426445713.db2.gz PMMBZKQUEYQNPE-ZBFHGGJFSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736287485 1426445715 /nfs/dbraw/zinc/44/57/15/1426445715.db2.gz PMMBZKQUEYQNPE-ZBFHGGJFSA-N 0 1 396.520 3.382 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000736287485 1426445716 /nfs/dbraw/zinc/44/57/16/1426445716.db2.gz PMMBZKQUEYQNPE-ZBFHGGJFSA-N 0 1 396.520 3.382 20 0 GGADMN Cc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)sc2cccc(F)c12 ZINC000048329780 1405147735 /nfs/dbraw/zinc/14/77/35/1405147735.db2.gz IVNWCQLJYAYDNO-UHFFFAOYSA-N 0 1 398.507 3.426 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3ccc(SC(F)F)cc3)ccn2)CC1 ZINC000048335683 1405150173 /nfs/dbraw/zinc/15/01/73/1405150173.db2.gz VZLOPDVXRZCUBX-UHFFFAOYSA-N 0 1 392.475 3.078 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000048369241 1405167415 /nfs/dbraw/zinc/16/74/15/1405167415.db2.gz GKVKYOMUDAHZKV-GOSISDBHSA-N 0 1 384.480 3.376 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)N1CCOCC1 ZINC000048370733 1405168071 /nfs/dbraw/zinc/16/80/71/1405168071.db2.gz FTVNNWSRGFHGCN-HXUWFJFHSA-N 0 1 390.528 3.212 20 0 GGADMN COc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1NC(C)=O ZINC000048379188 1405170906 /nfs/dbraw/zinc/17/09/06/1405170906.db2.gz WYNKBPSANQESPH-QGZVFWFLSA-N 0 1 386.452 3.205 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000048390078 1405175168 /nfs/dbraw/zinc/17/51/68/1405175168.db2.gz CCQHNYPZXVTYEU-UHFFFAOYSA-N 0 1 388.512 3.192 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)NC[C@H](C(CC)CC)N2CCOCC2)cc1 ZINC000048394191 1405177088 /nfs/dbraw/zinc/17/70/88/1405177088.db2.gz BXFWTMAMUHGUIK-LJQANCHMSA-N 0 1 390.528 3.294 20 0 GGADMN COc1ncccc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000048414069 1405182806 /nfs/dbraw/zinc/18/28/06/1405182806.db2.gz RLGWDOFNLIDECC-HOTGVXAUSA-N 0 1 384.480 3.021 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N(CC)CC(=O)Nc2cccc(OC)c2)o1 ZINC000048435232 1405189176 /nfs/dbraw/zinc/18/91/76/1405189176.db2.gz XHCGTIXJUOQORQ-UHFFFAOYSA-N 0 1 387.480 3.231 20 0 GGADMN Cc1ccc(SCCC(=O)N2CCC(CN3CCOCC3)CC2)cc1C ZINC000048480734 1405201372 /nfs/dbraw/zinc/20/13/72/1405201372.db2.gz GJLNQARGIYPDNL-UHFFFAOYSA-N 0 1 376.566 3.356 20 0 GGADMN COc1cc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)ccn1 ZINC000048499990 1405208937 /nfs/dbraw/zinc/20/89/37/1405208937.db2.gz AEXUTVJFWRNVFI-SFHVURJKSA-N 0 1 388.899 3.380 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000048502662 1405209677 /nfs/dbraw/zinc/20/96/77/1405209677.db2.gz DPZBBTZKFKGEMI-MRXNPFEDSA-N 0 1 390.871 3.251 20 0 GGADMN CC1(C)Oc2ccc(NC(=O)NCC3(N4CCOCC4)CCCCC3)cc2O1 ZINC000048540451 1405220401 /nfs/dbraw/zinc/22/04/01/1405220401.db2.gz ADTJDFLFAXYWEB-UHFFFAOYSA-N 0 1 389.496 3.351 20 0 GGADMN C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(F)cc4c3OCOC4)CC2)C1 ZINC000048566483 1405226897 /nfs/dbraw/zinc/22/68/97/1405226897.db2.gz NCCNLDCWZFAHHO-HNNXBMFYSA-N 0 1 376.472 3.163 20 0 GGADMN CCCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000048605970 1405236416 /nfs/dbraw/zinc/23/64/16/1405236416.db2.gz JCPOMGJAZZZWQM-UHFFFAOYSA-N 0 1 394.947 3.117 20 0 GGADMN C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000048685054 1405256849 /nfs/dbraw/zinc/25/68/49/1405256849.db2.gz PGTTVHGBZSXQMW-INIZCTEOSA-N 0 1 399.516 3.253 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000048683373 1405257341 /nfs/dbraw/zinc/25/73/41/1405257341.db2.gz RPOIOVVFPDIQPI-KRWDZBQOSA-N 0 1 376.932 3.188 20 0 GGADMN COCC(=O)Nc1cccc(CNCc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000048709738 1405263434 /nfs/dbraw/zinc/26/34/34/1405263434.db2.gz QRZPOJCLPNHSLD-UHFFFAOYSA-N 0 1 384.867 3.400 20 0 GGADMN C[C@@H]1CN(c2ccc(CNCc3cnn(-c4ccc(Cl)cc4)c3)cn2)CCO1 ZINC000048713790 1405265709 /nfs/dbraw/zinc/26/57/09/1405265709.db2.gz RLBQFBMGFIPITB-MRXNPFEDSA-N 0 1 397.910 3.436 20 0 GGADMN COc1ccc(Cl)cc1CNCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000048715276 1405265833 /nfs/dbraw/zinc/26/58/33/1405265833.db2.gz NIPHCDPZHPCVHJ-UHFFFAOYSA-N 0 1 394.924 3.423 20 0 GGADMN CCc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000048722753 1405270700 /nfs/dbraw/zinc/27/07/00/1405270700.db2.gz KZDWRHZDJJRGEK-OAQYLSRUSA-N 0 1 395.503 3.149 20 0 GGADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CCCC2)cc1 ZINC000048722603 1405271122 /nfs/dbraw/zinc/27/11/22/1405271122.db2.gz MSUMHSRJWGTTOW-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN Cc1nc2ccc(NC(=O)C(=O)NC[C@@H](c3cccs3)N(C)C)cc2s1 ZINC000048743213 1405277306 /nfs/dbraw/zinc/27/73/06/1405277306.db2.gz BJWUKDOUUOLZIK-AWEZNQCLSA-N 0 1 388.518 3.024 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cccs1 ZINC000048742231 1405277557 /nfs/dbraw/zinc/27/75/57/1405277557.db2.gz WMECOCGGIRRWHS-CYBMUJFWSA-N 0 1 385.411 3.125 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 ZINC000048741976 1405277604 /nfs/dbraw/zinc/27/76/04/1405277604.db2.gz OJSKGVSPYYADNK-ZDUSSCGKSA-N 0 1 399.488 3.420 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 ZINC000048741978 1405277788 /nfs/dbraw/zinc/27/77/88/1405277788.db2.gz OJSKGVSPYYADNK-CYBMUJFWSA-N 0 1 399.488 3.420 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCC(=O)N1CCCCC1 ZINC000048745471 1405278058 /nfs/dbraw/zinc/27/80/58/1405278058.db2.gz DNTUYTJERLTNIH-UHFFFAOYSA-N 0 1 378.879 3.465 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2cc(F)ccc2OC)cc1OC ZINC000048745061 1405278638 /nfs/dbraw/zinc/27/86/38/1405278638.db2.gz RUGNHNHUVZJJNO-AWEZNQCLSA-N 0 1 390.455 3.209 20 0 GGADMN O=C(CNCc1cn(-c2ccccc2)nc1-c1cccs1)NCC(F)(F)F ZINC000048745878 1405279564 /nfs/dbraw/zinc/27/95/64/1405279564.db2.gz SDGSBWHELSEFFM-UHFFFAOYSA-N 0 1 394.422 3.369 20 0 GGADMN COc1ccccc1CNCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000048746495 1405280152 /nfs/dbraw/zinc/28/01/52/1405280152.db2.gz DCMSGEWMURBKBY-QGZVFWFLSA-N 0 1 388.533 3.406 20 0 GGADMN CC[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1OCC(=O)NC ZINC000048750143 1405280940 /nfs/dbraw/zinc/28/09/40/1405280940.db2.gz ARDBAHZWYXIKNP-NRFANRHFSA-N 0 1 392.503 3.297 20 0 GGADMN COc1cccc(OC)c1Oc1ccc(CNCc2ccc(C(N)=O)cc2)cn1 ZINC000048749725 1405281106 /nfs/dbraw/zinc/28/11/06/1405281106.db2.gz VLMRYKHOKSCENT-UHFFFAOYSA-N 0 1 393.443 3.280 20 0 GGADMN CC(=O)Nc1ccc(CNCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000048749371 1405281181 /nfs/dbraw/zinc/28/11/81/1405281181.db2.gz PGCZHXVGVYIKIR-UHFFFAOYSA-N 0 1 376.254 3.136 20 0 GGADMN COc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c(OC)c1OC ZINC000048747776 1405281590 /nfs/dbraw/zinc/28/15/90/1405281590.db2.gz MCRGNKCKUUGXFR-UHFFFAOYSA-N 0 1 397.431 3.121 20 0 GGADMN CCOc1c(Cl)cc(CNCc2cnc(N3CCCC3)nc2)cc1OC ZINC000048776033 1405287746 /nfs/dbraw/zinc/28/77/46/1405287746.db2.gz RAJHTRVHSLUYGC-UHFFFAOYSA-N 0 1 376.888 3.427 20 0 GGADMN CNC(=O)COc1cccc(CNCc2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000048778882 1405289387 /nfs/dbraw/zinc/28/93/87/1405289387.db2.gz BGAAXAHLINAXEQ-UHFFFAOYSA-N 0 1 396.466 3.043 20 0 GGADMN CS(=O)(=O)Cc1ccc(CNCc2ccccc2OCc2ccccn2)cc1 ZINC000048779838 1405290507 /nfs/dbraw/zinc/29/05/07/1405290507.db2.gz PXBVGCMXQICSOP-UHFFFAOYSA-N 0 1 396.512 3.495 20 0 GGADMN C[C@H](NCc1cnc(-c2ccccc2)nc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780625 1405290538 /nfs/dbraw/zinc/29/05/38/1405290538.db2.gz UGYHJYILTDKNRM-INIZCTEOSA-N 0 1 396.516 3.245 20 0 GGADMN CCOc1ccc(CNCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000048818537 1405298561 /nfs/dbraw/zinc/29/85/61/1405298561.db2.gz XUJYATDQIZFZFF-NRFANRHFSA-N 0 1 398.503 3.049 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1C)N1CCCC1 ZINC000048827709 1405300234 /nfs/dbraw/zinc/30/02/34/1405300234.db2.gz XAJVLGJLNVSYAD-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NOCc3ccccc3)cc2)C[C@H](C)O1 ZINC000048827725 1405300421 /nfs/dbraw/zinc/30/04/21/1405300421.db2.gz GLRNCQOFUMVUND-HDICACEKSA-N 0 1 383.492 3.227 20 0 GGADMN C#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000048827932 1405301190 /nfs/dbraw/zinc/30/11/90/1405301190.db2.gz ZXYKHLHSYBJRFD-IBGZPJMESA-N 0 1 395.528 3.257 20 0 GGADMN CC1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2cccs2)CC1 ZINC000048828022 1405301715 /nfs/dbraw/zinc/30/17/15/1405301715.db2.gz DNJURVZVRUACRE-QGZVFWFLSA-N 0 1 389.496 3.415 20 0 GGADMN CC1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2cccs2)CC1 ZINC000048828138 1405302053 /nfs/dbraw/zinc/30/20/53/1405302053.db2.gz JXKBOHCLOCIRDM-KRWDZBQOSA-N 0 1 389.496 3.415 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2C(C)C)N(C)C)c1 ZINC000048845268 1405304324 /nfs/dbraw/zinc/30/43/24/1405304324.db2.gz RBXCEMAYBDTDLO-HXUWFJFHSA-N 0 1 397.519 3.485 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1cccc(F)c1 ZINC000048843385 1405304632 /nfs/dbraw/zinc/30/46/32/1405304632.db2.gz NTYYJDMBMBUILM-LJQANCHMSA-N 0 1 385.483 3.481 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c2cccnc12 ZINC000048843425 1405304648 /nfs/dbraw/zinc/30/46/48/1405304648.db2.gz JMZACWNVKUZDHH-LJQANCHMSA-N 0 1 394.450 3.040 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2C(C)C)N(C)C)c1 ZINC000048845265 1405304672 /nfs/dbraw/zinc/30/46/72/1405304672.db2.gz RBXCEMAYBDTDLO-FQEVSTJZSA-N 0 1 397.519 3.485 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C)c1 ZINC000048844890 1405304814 /nfs/dbraw/zinc/30/48/14/1405304814.db2.gz XOFFNETUJSGWAA-HXUWFJFHSA-N 0 1 397.519 3.350 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000048843142 1405305088 /nfs/dbraw/zinc/30/50/88/1405305088.db2.gz ACEWZLQASINMTR-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(SC)c2)N(C)C)cc1 ZINC000048846215 1405305398 /nfs/dbraw/zinc/30/53/98/1405305398.db2.gz RJNWUVSXCYJTRS-LJQANCHMSA-N 0 1 385.533 3.329 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)N(C)C)cc1 ZINC000048846628 1405305522 /nfs/dbraw/zinc/30/55/22/1405305522.db2.gz KZIGYRILGNPRCR-GOSISDBHSA-N 0 1 391.874 3.399 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2F)N(C)C)cc1 ZINC000048846576 1405305737 /nfs/dbraw/zinc/30/57/37/1405305737.db2.gz AOVGQHAWROAALP-QGZVFWFLSA-N 0 1 391.874 3.399 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)N(C)C)cc1 ZINC000048846630 1405305759 /nfs/dbraw/zinc/30/57/59/1405305759.db2.gz KZIGYRILGNPRCR-SFHVURJKSA-N 0 1 391.874 3.399 20 0 GGADMN CCc1cccc(CC)c1NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000048845672 1405305867 /nfs/dbraw/zinc/30/58/67/1405305867.db2.gz ZSROGHCUABSJGH-HXUWFJFHSA-N 0 1 397.519 3.178 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2OC(C)C)N(C)C)cc1 ZINC000048846702 1405305994 /nfs/dbraw/zinc/30/59/94/1405305994.db2.gz LJDCOOZSGNIROD-HXUWFJFHSA-N 0 1 397.519 3.394 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2F)N(C)C)cc1 ZINC000048846274 1405306033 /nfs/dbraw/zinc/30/60/33/1405306033.db2.gz TXBZAQVHRKXSKR-GOSISDBHSA-N 0 1 391.874 3.399 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000048846390 1405306252 /nfs/dbraw/zinc/30/62/52/1405306252.db2.gz BRGFTQBKPFEGNS-LJQANCHMSA-N 0 1 383.492 3.005 20 0 GGADMN N#CC(C(=O)Cc1csc(N2CCCC2=O)n1)c1ccc2ccccc2n1 ZINC000048852060 1405307722 /nfs/dbraw/zinc/30/77/22/1405307722.db2.gz NSWBRQYCSIBSDZ-HNNXBMFYSA-N 0 1 376.441 3.237 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000048851569 1405308222 /nfs/dbraw/zinc/30/82/22/1405308222.db2.gz IFBSDSVGTNOYSK-GOSISDBHSA-N 0 1 389.858 3.371 20 0 GGADMN CSc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000048853097 1405308422 /nfs/dbraw/zinc/30/84/22/1405308422.db2.gz KXKXESRPUPJUOQ-MRXNPFEDSA-N 0 1 389.546 3.362 20 0 GGADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000048853851 1405308780 /nfs/dbraw/zinc/30/87/80/1405308780.db2.gz WFFDCUCMSRUPSV-MRXNPFEDSA-N 0 1 375.469 3.087 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000048853506 1405308807 /nfs/dbraw/zinc/30/88/07/1405308807.db2.gz KZVDMIKKJMGHNB-QGZVFWFLSA-N 0 1 387.505 3.039 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000048853831 1405308963 /nfs/dbraw/zinc/30/89/63/1405308963.db2.gz BMBNOJMMDULUBU-HNNXBMFYSA-N 0 1 389.546 3.362 20 0 GGADMN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000048854067 1405309029 /nfs/dbraw/zinc/30/90/29/1405309029.db2.gz FBGOTPXPKQHTKN-INIZCTEOSA-N 0 1 375.469 3.087 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000048853646 1405309207 /nfs/dbraw/zinc/30/92/07/1405309207.db2.gz DNFACHXBSLFFOB-OAHLLOKOSA-N 0 1 395.887 3.432 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048852823 1405309430 /nfs/dbraw/zinc/30/94/30/1405309430.db2.gz NLUPUGYPOGWQAX-HXUWFJFHSA-N 0 1 395.503 3.367 20 0 GGADMN N#CC(C(=O)CN1C(=O)COc2ccc(Cl)cc21)c1ccc2ccccc2n1 ZINC000048855931 1405309772 /nfs/dbraw/zinc/30/97/72/1405309772.db2.gz PQRWDSXZSPCURJ-OAHLLOKOSA-N 0 1 391.814 3.490 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc(Cl)c1F ZINC000048854172 1405310262 /nfs/dbraw/zinc/31/02/62/1405310262.db2.gz LDQFMZYZHCRAHS-AWEZNQCLSA-N 0 1 395.887 3.432 20 0 GGADMN N#CC(C(=O)Cn1cc(Br)ccc1=O)c1ccc2ccccc2n1 ZINC000048857764 1405311238 /nfs/dbraw/zinc/31/12/38/1405311238.db2.gz XKIMZRFGQYXVQX-AWEZNQCLSA-N 0 1 382.217 3.035 20 0 GGADMN C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)s1 ZINC000048870843 1405311584 /nfs/dbraw/zinc/31/15/84/1405311584.db2.gz VGWYDYKXKKZKHU-ZDUSSCGKSA-N 0 1 393.944 3.109 20 0 GGADMN CN1CCN(c2cc(CNC(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)ccn2)CC1 ZINC000048870608 1405311881 /nfs/dbraw/zinc/31/18/81/1405311881.db2.gz KFTNAVHECPYZOM-RTBURBONSA-N 0 1 387.572 3.238 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1 ZINC000048871542 1405312800 /nfs/dbraw/zinc/31/28/00/1405312800.db2.gz VFKJWAOVVISRMU-NRFANRHFSA-N 0 1 395.551 3.072 20 0 GGADMN CSc1ccc([C@@H](C)NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000048871840 1405312897 /nfs/dbraw/zinc/31/28/97/1405312897.db2.gz MGWWCGSOJPAPMY-MRXNPFEDSA-N 0 1 399.564 3.116 20 0 GGADMN O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048875897 1405313125 /nfs/dbraw/zinc/31/31/25/1405313125.db2.gz HQYAMRBAQJNUIE-AWEZNQCLSA-N 0 1 392.286 3.323 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048875990 1405313146 /nfs/dbraw/zinc/31/31/46/1405313146.db2.gz BQWVUBNWFJIYQE-LJQANCHMSA-N 0 1 379.504 3.448 20 0 GGADMN CC(C)(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048875953 1405313587 /nfs/dbraw/zinc/31/35/87/1405313587.db2.gz NCLGYIJIURBXIQ-GOSISDBHSA-N 0 1 379.504 3.313 20 0 GGADMN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000048875175 1405313911 /nfs/dbraw/zinc/31/39/11/1405313911.db2.gz OVWQWPFEJGMCKW-FQEVSTJZSA-N 0 1 379.504 3.313 20 0 GGADMN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000048875679 1405314054 /nfs/dbraw/zinc/31/40/54/1405314054.db2.gz LQQFQNALMDVPPD-OAHLLOKOSA-N 0 1 392.286 3.323 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCCC2)c1 ZINC000048904811 1405318884 /nfs/dbraw/zinc/31/88/84/1405318884.db2.gz PUMZHVYKKOAESJ-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN CCc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000048904962 1405319194 /nfs/dbraw/zinc/31/91/94/1405319194.db2.gz JUBKMNSXSFFAKQ-NRFANRHFSA-N 0 1 395.503 3.149 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cc(C)c2)N2CCCC2)c1 ZINC000048904771 1405319436 /nfs/dbraw/zinc/31/94/36/1405319436.db2.gz DLXFJDLANXIHMN-OAQYLSRUSA-N 0 1 395.503 3.204 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2C)N2CCCC2)c1 ZINC000048905197 1405319497 /nfs/dbraw/zinc/31/94/97/1405319497.db2.gz SOVDUSDPOVFKNL-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)c(OC)c1 ZINC000048992758 1405331143 /nfs/dbraw/zinc/33/11/43/1405331143.db2.gz MCHXHBXODVVUJY-CXAGYDPISA-N 0 1 377.510 3.428 20 0 GGADMN CCOCc1ccc(CNC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000049045092 1405336009 /nfs/dbraw/zinc/33/60/09/1405336009.db2.gz ITJBODKTBMCRMX-SFHVURJKSA-N 0 1 381.520 3.469 20 0 GGADMN CCCC(=O)Nc1cccc(CNC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000049132929 1405345229 /nfs/dbraw/zinc/34/52/29/1405345229.db2.gz YOZBFWBGPIUMBJ-UHFFFAOYSA-N 0 1 394.519 3.283 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)NCCN2CCc3ccccc3C2)cc1OC ZINC000049132899 1405345703 /nfs/dbraw/zinc/34/57/03/1405345703.db2.gz IFFATSMUUVNJEE-QGZVFWFLSA-N 0 1 397.519 3.431 20 0 GGADMN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000049165747 1405348026 /nfs/dbraw/zinc/34/80/26/1405348026.db2.gz SYOXYBJDDYDUQX-OAHLLOKOSA-N 0 1 386.883 3.109 20 0 GGADMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000049167673 1405348473 /nfs/dbraw/zinc/34/84/73/1405348473.db2.gz KRXONQISJBZTOH-HNNXBMFYSA-N 0 1 386.883 3.109 20 0 GGADMN C[C@H](NC(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000049168593 1405348869 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CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000052894898 1406218792 /nfs/dbraw/zinc/21/87/92/1406218792.db2.gz QKYJZLQQOOFENE-GOSISDBHSA-N 0 1 380.492 3.221 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(Cl)ccc3OC(F)F)CC2)c1 ZINC000176309333 1428235752 /nfs/dbraw/zinc/23/57/52/1428235752.db2.gz AWVLQQJWKORPPX-UHFFFAOYSA-N 0 1 397.809 3.307 20 0 GGADMN CC(C)N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1cccc(Cl)c1 ZINC000052907055 1406222580 /nfs/dbraw/zinc/22/25/80/1406222580.db2.gz QDPHYNLXHVBWBB-UHFFFAOYSA-N 0 1 380.916 3.352 20 0 GGADMN COc1cc(OC)c(CNC(=O)CN(C)[C@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000052908065 1406223017 /nfs/dbraw/zinc/22/30/17/1406223017.db2.gz CWIYEEACBNIQSA-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN COc1cc(NC2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc(OC)c1 ZINC000176308543 1428236140 /nfs/dbraw/zinc/23/61/40/1428236140.db2.gz YCYJEAUGESBTOC-UHFFFAOYSA-N 0 1 380.448 3.297 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052932359 1406235411 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CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301056 1408332067 /nfs/dbraw/zinc/33/20/67/1408332067.db2.gz TYBRIUSAJDFXSJ-QGZVFWFLSA-N 0 1 393.597 3.012 20 0 GGADMN O=C(CCN1C(=O)CCC1=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000063306249 1408333555 /nfs/dbraw/zinc/33/35/55/1408333555.db2.gz SITFQVDNFNRMPN-UHFFFAOYSA-N 0 1 396.834 3.361 20 0 GGADMN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000176413621 1428310368 /nfs/dbraw/zinc/31/03/68/1428310368.db2.gz YJDZDBQYMZJFFV-PRDGIRARSA-N 0 1 391.581 3.203 20 0 GGADMN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC)cc1 ZINC000063443047 1408355357 /nfs/dbraw/zinc/35/53/57/1408355357.db2.gz DSLRUHJDHZBCBL-UHFFFAOYSA-N 0 1 383.441 3.441 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccnc2)cc1 ZINC000063453616 1408356797 /nfs/dbraw/zinc/35/67/97/1408356797.db2.gz BSNGNZBMEMXTDY-UHFFFAOYSA-N 0 1 383.429 3.143 20 0 GGADMN CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000063467432 1408359575 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CC(C)NS(=O)(=O)Cc1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000063549970 1408370538 /nfs/dbraw/zinc/37/05/38/1408370538.db2.gz FBAQXVMWRSNIFE-UHFFFAOYSA-N 0 1 398.475 3.406 20 0 GGADMN COc1ccc(OC)c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000063561791 1408372394 /nfs/dbraw/zinc/37/23/94/1408372394.db2.gz GNWYPOCCGWTALC-IAGOWNOFSA-N 0 1 398.503 3.243 20 0 GGADMN Cc1ccc(-c2n[nH]cc2CNCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)o1 ZINC000063563845 1408372424 /nfs/dbraw/zinc/37/24/24/1408372424.db2.gz GNRCZVPRUQUKHX-IBGZPJMESA-N 0 1 394.475 3.177 20 0 GGADMN COC[C@@H](C)NC(=O)NC(=O)CN([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577015 1408373809 /nfs/dbraw/zinc/37/38/09/1408373809.db2.gz WDXCGLFOBJOTCZ-CVEARBPZSA-N 0 1 383.492 3.226 20 0 GGADMN O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(Br)c(F)c1 ZINC000063582386 1408374006 /nfs/dbraw/zinc/37/40/06/1408374006.db2.gz FFBMTYBNHFVWIM-UHFFFAOYSA-N 0 1 387.592 3.022 20 0 GGADMN Cc1cc2ncn(C[C@H](O)CN3C[C@@H](c4ccccc4)O[C@@H](C)C3)c2cc1C ZINC000063587856 1408375204 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/nfs/dbraw/zinc/40/48/07/1408404807.db2.gz SHHWBUSVFUQAPQ-JOCHJYFZSA-N 0 1 389.499 3.341 20 0 GGADMN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000176423228 1428315518 /nfs/dbraw/zinc/31/55/18/1428315518.db2.gz HMXCCKGPYJNIBH-JKSUJKDBSA-N 0 1 379.501 3.036 20 0 GGADMN CN1CCN(Cc2cccc(NC(=S)Nc3ccc4c(c3)OCCO4)c2)CC1 ZINC000063794186 1408412986 /nfs/dbraw/zinc/41/29/86/1408412986.db2.gz HPOOPIDCODDIJW-UHFFFAOYSA-N 0 1 398.532 3.014 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000063804064 1408415903 /nfs/dbraw/zinc/41/59/03/1408415903.db2.gz IHJCGYWILUBIPL-GOSISDBHSA-N 0 1 380.554 3.109 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000063805926 1408417294 /nfs/dbraw/zinc/41/72/94/1408417294.db2.gz FEEPGHLJPRKIRE-UHFFFAOYSA-N 0 1 384.417 3.453 20 0 GGADMN O=C(Nc1ccccc1N1CCCC1=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000063809474 1408418001 /nfs/dbraw/zinc/41/80/01/1408418001.db2.gz JRTVYNMBHVVWEQ-UHFFFAOYSA-N 0 1 380.429 3.377 20 0 GGADMN CCCS(=O)(=O)Nc1ccccc1C(=O)Oc1ccc(NC(=O)OC)cc1 ZINC000063842984 1408426399 /nfs/dbraw/zinc/42/63/99/1408426399.db2.gz UHMOCJWEZDRQEE-UHFFFAOYSA-N 0 1 392.433 3.236 20 0 GGADMN COc1ccc(Cl)cc1NCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000063861634 1408431177 /nfs/dbraw/zinc/43/11/77/1408431177.db2.gz MXCPEGPSFNYPLK-UHFFFAOYSA-N 0 1 388.899 3.151 20 0 GGADMN CN(CC(=O)N1CCC2(CC1)OCCO2)C1c2ccccc2-c2ccccc21 ZINC000176432552 1428317964 /nfs/dbraw/zinc/31/79/64/1428317964.db2.gz JOMVZYHHHNNKHH-UHFFFAOYSA-N 0 1 378.472 3.054 20 0 GGADMN O=C(CCl)NCCc1nc(=O)c2sc(-c3ccccc3Cl)cc2[nH]1 ZINC000063897203 1408441153 /nfs/dbraw/zinc/44/11/53/1408441153.db2.gz WFRBVCNNIBJFGI-UHFFFAOYSA-N 0 1 382.272 3.203 20 0 GGADMN COC(=O)COc1c(C)cc(CNCc2cccc(C(=O)NC3CC3)c2)cc1C ZINC000063917083 1408444766 /nfs/dbraw/zinc/44/47/66/1408444766.db2.gz MMUGPICPNOQUCI-UHFFFAOYSA-N 0 1 396.487 3.037 20 0 GGADMN CCc1nc(CNC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cs1 ZINC000063918250 1408445823 /nfs/dbraw/zinc/44/58/23/1408445823.db2.gz WNJCQAAIVCKVJK-UHFFFAOYSA-N 0 1 393.578 3.258 20 0 GGADMN CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000821117799 1428320662 /nfs/dbraw/zinc/32/06/62/1428320662.db2.gz ABUNZSIVIWULFU-MRXNPFEDSA-N 0 1 397.527 3.282 20 0 GGADMN CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000821117799 1428320665 /nfs/dbraw/zinc/32/06/65/1428320665.db2.gz ABUNZSIVIWULFU-MRXNPFEDSA-N 0 1 397.527 3.282 20 0 GGADMN CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000821117799 1428320670 /nfs/dbraw/zinc/32/06/70/1428320670.db2.gz ABUNZSIVIWULFU-MRXNPFEDSA-N 0 1 397.527 3.282 20 0 GGADMN CCOc1ccc2c(c1)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000064013557 1408466242 /nfs/dbraw/zinc/46/62/42/1408466242.db2.gz HBMQCJCSLMVXDG-UHFFFAOYSA-N 0 1 399.447 3.389 20 0 GGADMN CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)CC1CCCC1 ZINC000064021118 1408468590 /nfs/dbraw/zinc/46/85/90/1408468590.db2.gz QITJFWFHFXFTHK-UHFFFAOYSA-N 0 1 383.492 3.294 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCNc3ncccc3C#N)[nH]c2c1 ZINC000064227794 1408516053 /nfs/dbraw/zinc/51/60/53/1408516053.db2.gz ALHITZGFVLSVMJ-SFHVURJKSA-N 0 1 389.463 3.097 20 0 GGADMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000064272361 1408527056 /nfs/dbraw/zinc/52/70/56/1408527056.db2.gz RDUIEFJFDPOTTD-NRFANRHFSA-N 0 1 379.504 3.449 20 0 GGADMN CCC[C@@H](NC(N)=O)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000064292766 1408530218 /nfs/dbraw/zinc/53/02/18/1408530218.db2.gz NZRJPSKLNUMRBH-OAHLLOKOSA-N 0 1 387.390 3.284 20 0 GGADMN CCc1nc2cc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)ccc2o1 ZINC000064299178 1408530873 /nfs/dbraw/zinc/53/08/73/1408530873.db2.gz IMKUXRIZRZCNAH-UHFFFAOYSA-N 0 1 377.397 3.153 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000064316977 1408533120 /nfs/dbraw/zinc/53/31/20/1408533120.db2.gz WHHFEVIMYUZZTD-SNVBAGLBSA-N 0 1 385.493 3.204 20 0 GGADMN CC(C)OCc1cccc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)c1 ZINC000064323150 1408534547 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GGADMN CCCCNC(=O)[C@H]1CCCN(CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000065253524 1408657177 /nfs/dbraw/zinc/65/71/77/1408657177.db2.gz PBDPHWQEZPDCJK-RBBKRZOGSA-N 0 1 385.552 3.191 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(CC(=O)N(CCC)Cc2ccc(C)cc2)C1 ZINC000065253633 1408657260 /nfs/dbraw/zinc/65/72/60/1408657260.db2.gz YOHRVPHEFNFAPJ-NRFANRHFSA-N 0 1 387.568 3.362 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)C1 ZINC000065253971 1408657367 /nfs/dbraw/zinc/65/73/67/1408657367.db2.gz LQGAJTGOTOJPKJ-FPOVZHCZSA-N 0 1 385.552 3.151 20 0 GGADMN O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC[C@@H](N2CCCC2)C1 ZINC000065323466 1408661055 /nfs/dbraw/zinc/66/10/55/1408661055.db2.gz BPNQQVPFMZHYDS-GOSISDBHSA-N 0 1 390.549 3.103 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(NC(=O)COC)cc1)c1ccco1 ZINC000065360797 1408663814 /nfs/dbraw/zinc/66/38/14/1408663814.db2.gz LRKHRCCSUFOUNC-QGZVFWFLSA-N 0 1 388.468 3.069 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(NC(C)=O)c(OC)c1)c1ccco1 ZINC000065411638 1408665701 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CCN(CC)[C@H](CNC(=O)NCc1cc(OC)ccc1OC)c1ccco1 ZINC000065480913 1408676306 /nfs/dbraw/zinc/67/63/06/1408676306.db2.gz OESBHIFXUWRPOC-QGZVFWFLSA-N 0 1 375.469 3.179 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1ccc(N2CCCC2)nc1)c1ccco1 ZINC000065482459 1408676491 /nfs/dbraw/zinc/67/64/91/1408676491.db2.gz CBKMIOGAUQWIEF-GOSISDBHSA-N 0 1 385.512 3.157 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1ccccc1Cn1ccnc1)c1ccco1 ZINC000065481076 1408676722 /nfs/dbraw/zinc/67/67/22/1408676722.db2.gz GMJRHYNJPCSNKL-HXUWFJFHSA-N 0 1 395.507 3.407 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCCN1CCc2ccccc21)c1ccco1 ZINC000065482291 1408676764 /nfs/dbraw/zinc/67/67/64/1408676764.db2.gz POZMUMPGCVXVDA-HXUWFJFHSA-N 0 1 384.524 3.415 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc(C(=O)OC)cc1)c1ccco1 ZINC000065481719 1408676783 /nfs/dbraw/zinc/67/67/83/1408676783.db2.gz GQHGQRNWSRBUKZ-GOSISDBHSA-N 0 1 387.480 3.291 20 0 GGADMN C[C@H](COCC(F)(F)F)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000065484279 1408677216 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Cn1cc(CNCc2cccc(NC(=O)c3ccncc3)c2)c(-c2cccnc2)n1 ZINC000067216105 1409045624 /nfs/dbraw/zinc/04/56/24/1409045624.db2.gz SHWJNRQNSSACEF-UHFFFAOYSA-N 0 1 398.470 3.419 20 0 GGADMN C[C@@H](NCc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000067220423 1409046313 /nfs/dbraw/zinc/04/63/13/1409046313.db2.gz QNDHWOMDCWPBBG-CYBMUJFWSA-N 0 1 384.448 3.389 20 0 GGADMN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@H](O)COCC(C)C ZINC000067247086 1409051270 /nfs/dbraw/zinc/05/12/70/1409051270.db2.gz TXLPASNVYVODRG-SFHVURJKSA-N 0 1 379.932 3.325 20 0 GGADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000067244068 1409051328 /nfs/dbraw/zinc/05/13/28/1409051328.db2.gz NQUMFOSPWMXHPD-UHFFFAOYSA-N 0 1 376.478 3.368 20 0 GGADMN C[C@@H](NCc1cccc(OCc2ccccn2)c1)C(=O)NCc1ccccc1 ZINC000067248096 1409052226 /nfs/dbraw/zinc/05/22/26/1409052226.db2.gz RXIBDNALRPDPDE-GOSISDBHSA-N 0 1 375.472 3.455 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(Br)s2)cc1 ZINC000067247879 1409052245 /nfs/dbraw/zinc/05/22/45/1409052245.db2.gz 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CCN(CC)[C@@H](CNC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccco1 ZINC000067276752 1409061628 /nfs/dbraw/zinc/06/16/28/1409061628.db2.gz ODQANLKIIZUBLN-INIZCTEOSA-N 0 1 390.480 3.047 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000067276563 1409061655 /nfs/dbraw/zinc/06/16/55/1409061655.db2.gz ZBOCGHCOXKZQOZ-WMLDXEAASA-N 0 1 391.899 3.251 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cnc(-c3ccccc3)nc2)N(C)C)c1 ZINC000067284964 1409064082 /nfs/dbraw/zinc/06/40/82/1409064082.db2.gz HLONODCURFJUNI-FQEVSTJZSA-N 0 1 376.460 3.185 20 0 GGADMN COCCOc1ccc(F)cc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000067293944 1409066182 /nfs/dbraw/zinc/06/61/82/1409066182.db2.gz BOECYJCAFNNNDR-QGZVFWFLSA-N 0 1 391.443 3.403 20 0 GGADMN COCCOc1ccc(F)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000067293703 1409066198 /nfs/dbraw/zinc/06/61/98/1409066198.db2.gz GIAKDRRFTRLCJL-INIZCTEOSA-N 0 1 381.473 3.337 20 0 GGADMN CC[C@@](C)(O)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000067308503 1409068793 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/nfs/dbraw/zinc/81/43/97/1409814397.db2.gz GNBCBDKNWIMJEF-SFHVURJKSA-N 0 1 397.866 3.314 20 0 GGADMN O=C(Cc1csc(-c2cccnc2)n1)NC[C@H](c1ccco1)N1CCCC1 ZINC000071034922 1409814644 /nfs/dbraw/zinc/81/46/44/1409814644.db2.gz AKUUYKOLZLYCCO-QGZVFWFLSA-N 0 1 382.489 3.294 20 0 GGADMN O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000071034748 1409814756 /nfs/dbraw/zinc/81/47/56/1409814756.db2.gz PJLUYUAHEAPNFL-KRWDZBQOSA-N 0 1 382.489 3.294 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000071039131 1409814990 /nfs/dbraw/zinc/81/49/90/1409814990.db2.gz ACHDKGCENVMUEK-UHFFFAOYSA-N 0 1 395.316 3.194 20 0 GGADMN COc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826193569 1428432637 /nfs/dbraw/zinc/43/26/37/1428432637.db2.gz HSKFGZFIMIYCRT-UHFFFAOYSA-N 0 1 395.307 3.192 20 0 GGADMN COc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826193569 1428432640 /nfs/dbraw/zinc/43/26/40/1428432640.db2.gz HSKFGZFIMIYCRT-UHFFFAOYSA-N 0 1 395.307 3.192 20 0 GGADMN CC(C)N(CC(=O)NCc1ccco1)C[C@H](O)COc1cccc2ccccc21 ZINC000071080027 1409820235 /nfs/dbraw/zinc/82/02/35/1409820235.db2.gz XSLCGVHJDVFPCX-IBGZPJMESA-N 0 1 396.487 3.199 20 0 GGADMN COc1ccc(CN(CC(=O)N2CC(=O)Nc3ccccc32)[C@H](C)C2CC2)cc1 ZINC000071113841 1409822303 /nfs/dbraw/zinc/82/23/03/1409822303.db2.gz PPCLKJOBXUOYGC-MRXNPFEDSA-N 0 1 393.487 3.281 20 0 GGADMN CCc1ccccc1OCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000071825660 1409826126 /nfs/dbraw/zinc/82/61/26/1409826126.db2.gz NMMSJTGQGUIRDK-UHFFFAOYSA-N 0 1 382.504 3.371 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1Cl ZINC000071869529 1409828534 /nfs/dbraw/zinc/82/85/34/1409828534.db2.gz GCDKPTJWDPIOBV-OAHLLOKOSA-N 0 1 387.915 3.047 20 0 GGADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)CC)ccc2OC)cc1 ZINC000071867809 1409828613 /nfs/dbraw/zinc/82/86/13/1409828613.db2.gz QSLVYCFMYAOPQK-UHFFFAOYSA-N 0 1 376.478 3.150 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000071892191 1409829157 /nfs/dbraw/zinc/82/91/57/1409829157.db2.gz COYLOBVCUOXPJH-GOSISDBHSA-N 0 1 396.878 3.143 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1C ZINC000071895867 1409829263 /nfs/dbraw/zinc/82/92/63/1409829263.db2.gz KLOQWGDYPHTKBA-UHFFFAOYSA-N 0 1 386.498 3.448 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000071892190 1409829291 /nfs/dbraw/zinc/82/92/91/1409829291.db2.gz COYLOBVCUOXPJH-SFHVURJKSA-N 0 1 396.878 3.143 20 0 GGADMN CCOc1ncccc1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000071917112 1409830007 /nfs/dbraw/zinc/83/00/07/1409830007.db2.gz XQXCFXARXQFSFG-SFHVURJKSA-N 0 1 384.480 3.448 20 0 GGADMN CC(C)COc1ccccc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000071943960 1409832440 /nfs/dbraw/zinc/83/24/40/1409832440.db2.gz YAQSSOWDIZKHHZ-LJQANCHMSA-N 0 1 376.545 3.115 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccc(Cl)cc2)C1 ZINC000071999783 1409835579 /nfs/dbraw/zinc/83/55/79/1409835579.db2.gz KWEXRABXOXMFST-SFHVURJKSA-N 0 1 381.948 3.274 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCCN(C)c1ccccc1F)c1cccc(F)c1 ZINC000071999665 1409835632 /nfs/dbraw/zinc/83/56/32/1409835632.db2.gz RMDFZRPYPVFISQ-FQEVSTJZSA-N 0 1 390.478 3.393 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCCN(C)c1ccccc1F)c1cccc(F)c1 ZINC000071999666 1409835700 /nfs/dbraw/zinc/83/57/00/1409835700.db2.gz RMDFZRPYPVFISQ-HXUWFJFHSA-N 0 1 390.478 3.393 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000072027657 1409838723 /nfs/dbraw/zinc/83/87/23/1409838723.db2.gz FCPWKJTVHSDVCW-IBGZPJMESA-N 0 1 385.895 3.402 20 0 GGADMN C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072037832 1409839850 /nfs/dbraw/zinc/83/98/50/1409839850.db2.gz WXNBHUGGZLEOJJ-DLBZAZTESA-N 0 1 387.524 3.201 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072037827 1409839988 /nfs/dbraw/zinc/83/99/88/1409839988.db2.gz MGMHDKRKSQWCEP-RCCFBDPRSA-N 0 1 381.561 3.403 20 0 GGADMN O=C(CNC(=O)CC1CCCC1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000072067232 1409844430 /nfs/dbraw/zinc/84/44/30/1409844430.db2.gz RFKLBRCIFAXUAJ-LJQANCHMSA-N 0 1 391.943 3.290 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)N2CCCC2)o1 ZINC000072072478 1409845001 /nfs/dbraw/zinc/84/50/01/1409845001.db2.gz FMIRAZMSAUWHDP-ROUUACIJSA-N 0 1 389.540 3.268 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)N2CCCC2)o1 ZINC000072072479 1409845118 /nfs/dbraw/zinc/84/51/18/1409845118.db2.gz FMIRAZMSAUWHDP-QZTJIDSGSA-N 0 1 389.540 3.268 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)CC2CCCCC2)N2CCCC2)o1 ZINC000072072474 1409845121 /nfs/dbraw/zinc/84/51/21/1409845121.db2.gz NAKCWOBKQOUFCV-HKUYNNGSSA-N 0 1 389.540 3.316 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000072072507 1409845172 /nfs/dbraw/zinc/84/51/72/1409845172.db2.gz TZHNLBGNPSBGAL-DLBZAZTESA-N 0 1 391.512 3.241 20 0 GGADMN COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(Nc3ccccc3)CC2)cc1 ZINC000072073837 1409845350 /nfs/dbraw/zinc/84/53/50/1409845350.db2.gz MFYPSDUIESNUHZ-KRWDZBQOSA-N 0 1 395.503 3.054 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000072073871 1409845434 /nfs/dbraw/zinc/84/54/34/1409845434.db2.gz FZWCHTRBNFNKHJ-SFHVURJKSA-N 0 1 376.497 3.325 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccn(-c3ccc(F)cc3)n2)N2CCCC2)o1 ZINC000072072667 1409845462 /nfs/dbraw/zinc/84/54/62/1409845462.db2.gz PXVCFRVGTJXZRU-LJQANCHMSA-N 0 1 382.439 3.480 20 0 GGADMN COc1ccc(CNC(=O)[C@H](C)N2CCC(Nc3ccccc3)CC2)cc1OC ZINC000072073839 1409845480 /nfs/dbraw/zinc/84/54/80/1409845480.db2.gz IBIJMTACGPDSOD-KRWDZBQOSA-N 0 1 397.519 3.285 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccn(-c3ccc(F)cc3)n2)N2CCCC2)o1 ZINC000072072668 1409845556 /nfs/dbraw/zinc/84/55/56/1409845556.db2.gz PXVCFRVGTJXZRU-IBGZPJMESA-N 0 1 382.439 3.480 20 0 GGADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc4[nH]c([C@H]5CCCO5)nc4c3)cc12 ZINC000072085140 1409847352 /nfs/dbraw/zinc/84/73/52/1409847352.db2.gz NBNJXASMTDJBMA-MRXNPFEDSA-N 0 1 399.432 3.060 20 0 GGADMN C[C@@H](CNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)N1CCN(C)CC1 ZINC000072087753 1409847797 /nfs/dbraw/zinc/84/77/97/1409847797.db2.gz QGXCMKUVGLTYOB-RDJZCZTQSA-N 0 1 377.598 3.265 20 0 GGADMN CCN(C)[C@H](C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)c1ccccc1 ZINC000072097681 1409848667 /nfs/dbraw/zinc/84/86/67/1409848667.db2.gz WEQRHYRGXIGDGI-GOTSBHOMSA-N 0 1 395.547 3.178 20 0 GGADMN CCN(C)[C@@H](C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)c1ccccc1 ZINC000072097682 1409849078 /nfs/dbraw/zinc/84/90/78/1409849078.db2.gz WEQRHYRGXIGDGI-XZOQPEGZSA-N 0 1 395.547 3.178 20 0 GGADMN CC[C@@H]1C[C@@H](C)CN1Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000072697704 1409852572 /nfs/dbraw/zinc/85/25/72/1409852572.db2.gz QVNMCIFFCDNSKD-HUUCEWRRSA-N 0 1 378.542 3.214 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN2CCS[C@H](C(C)C)C2)cc1OC ZINC000072837133 1409854042 /nfs/dbraw/zinc/85/40/42/1409854042.db2.gz OSIZHIGYOBHUED-KXBFYZLASA-N 0 1 380.554 3.263 20 0 GGADMN CC[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CCS1 ZINC000072862485 1409854574 /nfs/dbraw/zinc/85/45/74/1409854574.db2.gz IGJUXBZCBALMED-DLBZAZTESA-N 0 1 378.538 3.195 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000072901879 1409854952 /nfs/dbraw/zinc/85/49/52/1409854952.db2.gz BRGCNDDNUXRLGK-GOSISDBHSA-N 0 1 378.582 3.315 20 0 GGADMN CCSCC[C@@H](C)N(C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000072901632 1409855147 /nfs/dbraw/zinc/85/51/47/1409855147.db2.gz RVGPQMCXISKLKV-QGZVFWFLSA-N 0 1 379.570 3.130 20 0 GGADMN CNC(=O)c1cccc(CN2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000072961648 1409855783 /nfs/dbraw/zinc/85/57/83/1409855783.db2.gz RZOLXSPXALFZGZ-QAPCUYQASA-N 0 1 375.513 3.314 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000073118327 1409858237 /nfs/dbraw/zinc/85/82/37/1409858237.db2.gz OLGAQOXEJHPRNF-OAQYLSRUSA-N 0 1 379.548 3.284 20 0 GGADMN CO[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1 ZINC000073485091 1409860933 /nfs/dbraw/zinc/86/09/33/1409860933.db2.gz IGWMCVPPRDPDLJ-HKUYNNGSSA-N 0 1 375.444 3.243 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCCOC2CCC2)N2CCCCC2)cc1 ZINC000073443608 1409860991 /nfs/dbraw/zinc/86/09/91/1409860991.db2.gz VDIWAEOQUYKZKO-FQEVSTJZSA-N 0 1 375.513 3.091 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)CC(C)(C)OC)N1CCCC1 ZINC000073490636 1409861321 /nfs/dbraw/zinc/86/13/21/1409861321.db2.gz AOCYYQOPQOXPQF-SJLPKXTDSA-N 0 1 377.529 3.335 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H](C)CC(C)(C)OC)N1CCCC1 ZINC000073490632 1409861437 /nfs/dbraw/zinc/86/14/37/1409861437.db2.gz AOCYYQOPQOXPQF-AEFFLSMTSA-N 0 1 377.529 3.335 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1nc(C(C)(C)C)no1 ZINC000073493104 1409861498 /nfs/dbraw/zinc/86/14/98/1409861498.db2.gz RFFNFYIIQAGOLV-IUODEOHRSA-N 0 1 377.464 3.169 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H](OC)C(C)(C)C)N1CCCC1 ZINC000073490771 1409861612 /nfs/dbraw/zinc/86/16/12/1409861612.db2.gz KSUIBUQICSECTP-PKOBYXMFSA-N 0 1 377.529 3.192 20 0 GGADMN O=C(NC[C@H]1CCC[C@@H](O)C1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000073541794 1409861876 /nfs/dbraw/zinc/86/18/76/1409861876.db2.gz GVEOPAIYDCXGOV-QFBILLFUSA-N 0 1 379.932 3.155 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H](CCO)C1 ZINC000073541796 1409862071 /nfs/dbraw/zinc/86/20/71/1409862071.db2.gz CBJDGOMAMHJHIE-INIZCTEOSA-N 0 1 379.932 3.108 20 0 GGADMN CC[C@@H](C)[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1 ZINC000073561186 1409862290 /nfs/dbraw/zinc/86/22/90/1409862290.db2.gz RCSUVMGIULJJIN-GCJKJVERSA-N 0 1 380.536 3.280 20 0 GGADMN CC[C@H](NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000073595757 1409862681 /nfs/dbraw/zinc/86/26/81/1409862681.db2.gz LXJCORMXYWEQHV-RTWAWAEBSA-N 0 1 388.600 3.314 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000073596121 1409862698 /nfs/dbraw/zinc/86/26/98/1409862698.db2.gz KXCOTXWPTIURQQ-FGZHOGPDSA-N 0 1 388.600 3.230 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1C ZINC000073596093 1409862735 /nfs/dbraw/zinc/86/27/35/1409862735.db2.gz HKMIGNVNSSHTRV-VXKWHMMOSA-N 0 1 386.584 3.422 20 0 GGADMN 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/nfs/dbraw/zinc/37/58/66/1410375866.db2.gz ZHTZPWKARNOKCP-UHFFFAOYSA-N 0 1 392.528 3.395 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cscn1 ZINC000097548843 1410375873 /nfs/dbraw/zinc/37/58/73/1410375873.db2.gz GVWNABLNMDIDRY-UHFFFAOYSA-N 0 1 398.454 3.104 20 0 GGADMN CC(C)(C(=O)NOCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000097551684 1410376130 /nfs/dbraw/zinc/37/61/30/1410376130.db2.gz LHBZSJRXYAHURU-UHFFFAOYSA-N 0 1 391.265 3.413 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=S)n2C)C1)c1ccccc1 ZINC000097569915 1410378255 /nfs/dbraw/zinc/37/82/55/1410378255.db2.gz KUSQUSDVONYMDP-DLBZAZTESA-N 0 1 387.553 3.267 20 0 GGADMN O=C(CCN1CCN(Cc2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000176816320 1428478893 /nfs/dbraw/zinc/47/88/93/1428478893.db2.gz PQGFLWKNKDCEIP-UHFFFAOYSA-N 0 1 392.425 3.247 20 0 GGADMN CCN(Cc1ccccc1NS(=O)(=O)c1cnc(Cl)c(C)c1)C(C)=O ZINC000097575791 1410380223 /nfs/dbraw/zinc/38/02/23/1410380223.db2.gz QAAYHOBFSYPSHZ-UHFFFAOYSA-N 0 1 381.885 3.213 20 0 GGADMN Cc1cc(CN2CCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000176816248 1428479304 /nfs/dbraw/zinc/47/93/04/1428479304.db2.gz XEQCIECQJQZLQG-UHFFFAOYSA-N 0 1 396.413 3.148 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)n[nH]1 ZINC000097695501 1410389243 /nfs/dbraw/zinc/38/92/43/1410389243.db2.gz SDXQLPIVLZZWMH-GOSISDBHSA-N 0 1 393.491 3.248 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(N3CCCCC3)cn2)[nH]n1 ZINC000097695245 1410389262 /nfs/dbraw/zinc/38/92/62/1410389262.db2.gz MQFNLOYDGSPXEB-UHFFFAOYSA-N 0 1 379.468 3.065 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CCC(=O)N3CCc4sccc4C3)n2)cc1 ZINC000097703301 1410390077 /nfs/dbraw/zinc/39/00/77/1410390077.db2.gz KMMDNKXTSBFAKE-UHFFFAOYSA-N 0 1 395.488 3.145 20 0 GGADMN COc1ccc(C)cc1C1(CNC(=O)c2[nH]nc3c2CCCC3)CCOCC1 ZINC000098021871 1410394802 /nfs/dbraw/zinc/39/48/02/1410394802.db2.gz IVIUUDNLFRLFJN-UHFFFAOYSA-N 0 1 383.492 3.084 20 0 GGADMN CC[C@@H](C)Oc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000098025507 1410395466 /nfs/dbraw/zinc/39/54/66/1410395466.db2.gz WTUSBVSUDOVORL-YLJYHZDGSA-N 0 1 376.545 3.257 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)N1CCN(C)CC1 ZINC000098025500 1410395508 /nfs/dbraw/zinc/39/55/08/1410395508.db2.gz CJSVGSDIHCSEJS-OAQYLSRUSA-N 0 1 387.572 3.070 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC(C)C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000098029200 1410397286 /nfs/dbraw/zinc/39/72/86/1410397286.db2.gz ZDEXQUFPLDTFHH-GOSISDBHSA-N 0 1 375.513 3.358 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000098029795 1410397897 /nfs/dbraw/zinc/39/78/97/1410397897.db2.gz PSOQGUHOFJGNSN-UHFFFAOYSA-N 0 1 380.492 3.175 20 0 GGADMN COc1ccc(Cl)cc1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000098050731 1410402818 /nfs/dbraw/zinc/40/28/18/1410402818.db2.gz JKBBDBMMOINOFZ-UHFFFAOYSA-N 0 1 387.911 3.277 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)CC1 ZINC000098071233 1410406102 /nfs/dbraw/zinc/40/61/02/1410406102.db2.gz NZEXDRAVIVHJGM-UHFFFAOYSA-N 0 1 378.476 3.039 20 0 GGADMN Cc1[nH]c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)c1C(=O)OC(C)C ZINC000098071242 1410406769 /nfs/dbraw/zinc/40/67/69/1410406769.db2.gz FQKATYCPXUEWLV-UHFFFAOYSA-N 0 1 398.507 3.201 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cc(Cl)nc(Cl)c3)c2)CC1 ZINC000098102794 1410417550 /nfs/dbraw/zinc/41/75/50/1410417550.db2.gz RNXWPWSTEYYPEB-UHFFFAOYSA-N 0 1 379.291 3.388 20 0 GGADMN CCCS(=O)(=O)CC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000098105170 1410419086 /nfs/dbraw/zinc/41/90/86/1410419086.db2.gz XVCJQQNCMDIWHB-UHFFFAOYSA-N 0 1 375.425 3.132 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2cnc(C)s2)N2CCCCC2)cc1 ZINC000098117036 1410425151 /nfs/dbraw/zinc/42/51/51/1410425151.db2.gz NCHDEGNABYNKTG-LJQANCHMSA-N 0 1 388.537 3.487 20 0 GGADMN CC(C)[C@H](CNC(=O)N(Cc1ccccc1)CC1CCC1)N1CCN(C)CC1 ZINC000098117676 1410425362 /nfs/dbraw/zinc/42/53/62/1410425362.db2.gz LRTXJALDVPOBHR-QFIPXVFZSA-N 0 1 386.584 3.270 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1nc(-c2ccccc2)oc1C1CC1)N1CCN(C)CC1 ZINC000098123631 1410428592 /nfs/dbraw/zinc/42/85/92/1410428592.db2.gz CPSXDOQLDREHPY-LJQANCHMSA-N 0 1 396.535 3.221 20 0 GGADMN COCCCCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000098143570 1410433065 /nfs/dbraw/zinc/43/30/65/1410433065.db2.gz ZQFTZWFDVVDPOU-UHFFFAOYSA-N 0 1 384.476 3.325 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl)c1ccc(F)cc1 ZINC000176821120 1428483752 /nfs/dbraw/zinc/48/37/52/1428483752.db2.gz UGGSARFPWKITBQ-INIZCTEOSA-N 0 1 399.800 3.115 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000101518941 1410444876 /nfs/dbraw/zinc/44/48/76/1410444876.db2.gz NOQYVBQGGSOKKN-UHFFFAOYSA-N 0 1 397.523 3.412 20 0 GGADMN COc1ccc(CCNC(=O)Cc2[nH]nc3ccccc32)cc1OC(F)F ZINC000101524269 1410448219 /nfs/dbraw/zinc/44/82/19/1410448219.db2.gz MYPONRJOEOBOTI-UHFFFAOYSA-N 0 1 375.375 3.074 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cn(-c3cccc(C)c3)nn2)N2CCCC2)o1 ZINC000101527326 1410448820 /nfs/dbraw/zinc/44/88/20/1410448820.db2.gz KVAGNEYKIAAEKP-LJQANCHMSA-N 0 1 379.464 3.044 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)N2CCCC2)o1 ZINC000101527741 1410449066 /nfs/dbraw/zinc/44/90/66/1410449066.db2.gz HHBCCMRFHKTDRI-WMZOPIPTSA-N 0 1 385.439 3.106 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)N2CCCC2)o1 ZINC000101527689 1410449180 /nfs/dbraw/zinc/44/91/80/1410449180.db2.gz OIEIXTBIMDURCE-AEFFLSMTSA-N 0 1 393.528 3.390 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)N2CCCC2)o1 ZINC000101527926 1410450125 /nfs/dbraw/zinc/45/01/25/1410450125.db2.gz WTLHKYJZCHBEPS-IBGZPJMESA-N 0 1 394.475 3.024 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCC[C@@H]1CO ZINC000101546748 1410458202 /nfs/dbraw/zinc/45/82/02/1410458202.db2.gz KOXWPGXAKNDQNF-OAQYLSRUSA-N 0 1 382.504 3.071 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)nc1 ZINC000101545290 1410458605 /nfs/dbraw/zinc/45/86/05/1410458605.db2.gz PZVIMKVCCYCKSJ-AZUAARDMSA-N 0 1 398.551 3.222 20 0 GGADMN C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000176823963 1428485762 /nfs/dbraw/zinc/48/57/62/1428485762.db2.gz UJJDEUPOWASWNZ-CQSZACIVSA-N 0 1 378.436 3.259 20 0 GGADMN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(Nc2ccccc2)CC1 ZINC000101560694 1410464916 /nfs/dbraw/zinc/46/49/16/1410464916.db2.gz DCFDUVJNACSGGT-OAHLLOKOSA-N 0 1 384.455 3.439 20 0 GGADMN CCCN(CC(=O)Nc1nccs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566627 1410466299 /nfs/dbraw/zinc/46/62/99/1410466299.db2.gz GRNSGFQAIIJYPA-UHFFFAOYSA-N 0 1 386.521 3.098 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567216 1410467270 /nfs/dbraw/zinc/46/72/70/1410467270.db2.gz PYUMTWROGJGROB-FQEVSTJZSA-N 0 1 398.503 3.250 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cccc(F)c1F ZINC000101568150 1410468491 /nfs/dbraw/zinc/46/84/91/1410468491.db2.gz VOYSEGZLIHRFPO-YOEHRIQHSA-N 0 1 378.444 3.270 20 0 GGADMN COCCc1nsc(NC[C@@H](c2ccccc2OC)N2CCCCC2)n1 ZINC000176825192 1428487199 /nfs/dbraw/zinc/48/71/99/1428487199.db2.gz YIDRBFQMNDFPDQ-INIZCTEOSA-N 0 1 376.526 3.375 20 0 GGADMN CNC(=O)c1cccc(CNCc2ccc(OCC(F)(F)F)c(OC)c2)c1 ZINC000101595112 1410474609 /nfs/dbraw/zinc/47/46/09/1410474609.db2.gz LMZZUROLJVQIRW-UHFFFAOYSA-N 0 1 382.382 3.286 20 0 GGADMN COc1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000101603432 1410475264 /nfs/dbraw/zinc/47/52/64/1410475264.db2.gz NUVVBSQIRGARIZ-QGZVFWFLSA-N 0 1 387.480 3.242 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cccn3)cc2)N2CCCC2)o1 ZINC000101620340 1410481520 /nfs/dbraw/zinc/48/15/20/1410481520.db2.gz KYXUJARYTSOMED-HXUWFJFHSA-N 0 1 393.491 3.410 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NCC(=O)Nc2c(C)cccc2C)N2CCCC2)o1 ZINC000101621171 1410481652 /nfs/dbraw/zinc/48/16/52/1410481652.db2.gz USHAQEYSEPJIJI-GOSISDBHSA-N 0 1 398.507 3.280 20 0 GGADMN CCc1cccc(NC(=O)CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000101620858 1410481886 /nfs/dbraw/zinc/48/18/86/1410481886.db2.gz SJQMQNYLDFFXAZ-LJQANCHMSA-N 0 1 398.507 3.225 20 0 GGADMN COc1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1F ZINC000101621246 1410481998 /nfs/dbraw/zinc/48/19/98/1410481998.db2.gz AOWKMCVNNWHDNC-QGZVFWFLSA-N 0 1 375.444 3.372 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)cc2)N2CCCC2)o1 ZINC000101621051 1410482026 /nfs/dbraw/zinc/48/20/26/1410482026.db2.gz UFIMPNYZPARQOE-ZWKOTPCHSA-N 0 1 391.899 3.411 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000101669196 1410488411 /nfs/dbraw/zinc/48/84/11/1410488411.db2.gz JBUDHGWQTFVRSW-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000101741003 1410497031 /nfs/dbraw/zinc/49/70/31/1410497031.db2.gz ZGKFNOOBZKAELS-GOSISDBHSA-N 0 1 384.480 3.296 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)N2CCCC2)o1 ZINC000101741840 1410497153 /nfs/dbraw/zinc/49/71/53/1410497153.db2.gz YIASBTGKRQHRCG-LJQANCHMSA-N 0 1 396.491 3.439 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)N2CCCC2)o1 ZINC000101741545 1410497360 /nfs/dbraw/zinc/49/73/60/1410497360.db2.gz JYYKKOQQHJOVDI-WMLDXEAASA-N 0 1 398.463 3.266 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)N2CCCC2)o1 ZINC000101745955 1410498023 /nfs/dbraw/zinc/49/80/23/1410498023.db2.gz VNDUVPNQXHFABZ-LJQANCHMSA-N 0 1 398.507 3.177 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccccc2Cn2cncn2)N2CCCC2)o1 ZINC000101748444 1410498561 /nfs/dbraw/zinc/49/85/61/1410498561.db2.gz AGEDAQUSUWBZAE-IBGZPJMESA-N 0 1 394.479 3.186 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)N2CCCC2)o1 ZINC000101748846 1410498613 /nfs/dbraw/zinc/49/86/13/1410498613.db2.gz HHCPZGGKXRNQEP-CQSZACIVSA-N 0 1 398.385 3.254 20 0 GGADMN COCCn1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000101756294 1410499189 /nfs/dbraw/zinc/49/91/89/1410499189.db2.gz MCJXDOOHKXTFIH-QGZVFWFLSA-N 0 1 391.903 3.142 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC(Nc2ccccc2)CC1 ZINC000101787099 1410502709 /nfs/dbraw/zinc/50/27/09/1410502709.db2.gz POQKYGZYUHOMGQ-UHFFFAOYSA-N 0 1 378.520 3.331 20 0 GGADMN CC(C)COC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000101809021 1410504679 /nfs/dbraw/zinc/50/46/79/1410504679.db2.gz JBKSHICOZAAKSA-SFHVURJKSA-N 0 1 391.512 3.037 20 0 GGADMN O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(C2CCOCC2)CC1 ZINC000176829163 1428489982 /nfs/dbraw/zinc/48/99/82/1428489982.db2.gz ODRBJWHCYJQTBN-UHFFFAOYSA-N 0 1 383.467 3.188 20 0 GGADMN CSc1cccc(N(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000101870189 1410511650 /nfs/dbraw/zinc/51/16/50/1410511650.db2.gz VVBZNXAFBJDKQY-UHFFFAOYSA-N 0 1 385.514 3.460 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000101908795 1410517966 /nfs/dbraw/zinc/51/79/66/1410517966.db2.gz UKUQHCWWCXIPJX-IRXDYDNUSA-N 0 1 393.959 3.344 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000101912315 1410519483 /nfs/dbraw/zinc/51/94/83/1410519483.db2.gz YZLOLBINTFYHFK-JKSUJKDBSA-N 0 1 395.494 3.113 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1 ZINC000101912215 1410519550 /nfs/dbraw/zinc/51/95/50/1410519550.db2.gz XPXPJBPPKSNPGP-HXUWFJFHSA-N 0 1 385.552 3.114 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)C1 ZINC000101912213 1410520166 /nfs/dbraw/zinc/52/01/66/1410520166.db2.gz XPXPJBPPKSNPGP-FQEVSTJZSA-N 0 1 385.552 3.114 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)C1 ZINC000101912454 1410520396 /nfs/dbraw/zinc/52/03/96/1410520396.db2.gz YPCOTXMCONGKJQ-ROUUACIJSA-N 0 1 391.531 3.364 20 0 GGADMN O=C(Nc1ccc(F)cc1)C1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000101917053 1410521328 /nfs/dbraw/zinc/52/13/28/1410521328.db2.gz TXFQJCDNXGYYDI-LJQANCHMSA-N 0 1 378.394 3.488 20 0 GGADMN CC(C)C[C@H](C)N(C)C(=O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101916914 1410522066 /nfs/dbraw/zinc/52/20/66/1410522066.db2.gz DYWXYPWRBFEHHN-INIZCTEOSA-N 0 1 377.504 3.369 20 0 GGADMN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101918320 1410523851 /nfs/dbraw/zinc/52/38/51/1410523851.db2.gz WLZOBVUXAMVDAJ-IXDOHACOSA-N 0 1 389.515 3.369 20 0 GGADMN O=C(CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1 ZINC000101920558 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20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCc2ccccc2-n2ccnc2)N2CCCC2)o1 ZINC000102037646 1410548558 /nfs/dbraw/zinc/54/85/58/1410548558.db2.gz NKTVIQFQQFIKMJ-FQEVSTJZSA-N 0 1 393.491 3.410 20 0 GGADMN CCc1cnc(CN(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)s1 ZINC000176836434 1428493354 /nfs/dbraw/zinc/49/33/54/1428493354.db2.gz WSEGSTTYHULQQC-UHFFFAOYSA-N 0 1 388.518 3.127 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)ccc1N1CCCC1 ZINC000102172870 1410574020 /nfs/dbraw/zinc/57/40/20/1410574020.db2.gz MKUCLHDXWPOBCS-OAHLLOKOSA-N 0 1 391.475 3.229 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000102174244 1410574825 /nfs/dbraw/zinc/57/48/25/1410574825.db2.gz WZLLAJLSPMJQLS-MLGOLLRUSA-N 0 1 382.489 3.279 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000102171816 1410574903 /nfs/dbraw/zinc/57/49/03/1410574903.db2.gz WKQYDUJTFJREFB-SCLBCKFNSA-N 0 1 380.423 3.184 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc4n[nH]cc4c3)cc2)C[C@H](C)O1 ZINC000102188600 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/nfs/dbraw/zinc/80/45/89/1410804589.db2.gz LDBJFFZHXARHEC-SNVBAGLBSA-N 0 1 379.445 3.238 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000102892052 1410804704 /nfs/dbraw/zinc/80/47/04/1410804704.db2.gz MYVMHXYXYNJYLY-GFCCVEGCSA-N 0 1 391.456 3.443 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)c1 ZINC000102894693 1410804887 /nfs/dbraw/zinc/80/48/87/1410804887.db2.gz NXDNWOPMDVAHFI-CABCVRRESA-N 0 1 394.475 3.346 20 0 GGADMN Cc1nn(C)c2ncc(C(=O)N3CCC[C@H](c4nc5ccc(C)cc5[nH]4)C3)cc12 ZINC000102896765 1410804951 /nfs/dbraw/zinc/80/49/51/1410804951.db2.gz BTZBJHDXEBLKCU-HNNXBMFYSA-N 0 1 388.475 3.481 20 0 GGADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000102895508 1410804961 /nfs/dbraw/zinc/80/49/61/1410804961.db2.gz VTXFOMRUVHGMDY-VIFPVBQESA-N 0 1 392.337 3.060 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CC[C@H](Nc2ccccc2)C1 ZINC000102898691 1410805175 /nfs/dbraw/zinc/80/51/75/1410805175.db2.gz LEVJBEUEOMKIPS-INIZCTEOSA-N 0 1 394.500 3.162 20 0 GGADMN Cc1cc(C)n(-c2ccc(CN(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)cc2)n1 ZINC000102925195 1410808639 /nfs/dbraw/zinc/80/86/39/1410808639.db2.gz XVPOWEFQBLSEMV-QGZVFWFLSA-N 0 1 398.532 3.330 20 0 GGADMN CC1CCC(N(CC(=O)NC2CCOCC2)Cc2ccc3c(c2)OCO3)CC1 ZINC000102925812 1410808767 /nfs/dbraw/zinc/80/87/67/1410808767.db2.gz JCYMXFKRWBQPCG-UHFFFAOYSA-N 0 1 388.508 3.091 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000102931206 1410809156 /nfs/dbraw/zinc/80/91/56/1410809156.db2.gz OJJFCPUQLOBPCB-UHFFFAOYSA-N 0 1 398.894 3.072 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000102935373 1410809661 /nfs/dbraw/zinc/80/96/61/1410809661.db2.gz FCXUYKVJOBDWGT-OCCSQVGLSA-N 0 1 383.496 3.063 20 0 GGADMN COc1cccc2c1OC[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C2 ZINC000102959952 1410812914 /nfs/dbraw/zinc/81/29/14/1410812914.db2.gz RYHGUTLMBXPEAA-ZWKOTPCHSA-N 0 1 399.491 3.036 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccnc1OCC(C)C ZINC000102977366 1410815612 /nfs/dbraw/zinc/81/56/12/1410815612.db2.gz ANUPJMGDCFJSLS-UHFFFAOYSA-N 0 1 382.508 3.429 20 0 GGADMN CN(C)C(=O)c1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000103004197 1410818966 /nfs/dbraw/zinc/81/89/66/1410818966.db2.gz CITTVDSBSLTQJD-UHFFFAOYSA-N 0 1 383.517 3.190 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(C)c3O)CC2)c1C ZINC000103053949 1410823069 /nfs/dbraw/zinc/82/30/69/1410823069.db2.gz QHVNSBDHSRLBHW-UHFFFAOYSA-N 0 1 397.519 3.458 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)cc3O)CC2)c1C ZINC000103053984 1410823309 /nfs/dbraw/zinc/82/33/09/1410823309.db2.gz SQNXKGPQIDBTMQ-UHFFFAOYSA-N 0 1 397.519 3.458 20 0 GGADMN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1ccc(Cl)nc1 ZINC000103059699 1410823435 /nfs/dbraw/zinc/82/34/35/1410823435.db2.gz AYLWXKDTUBUAHU-UHFFFAOYSA-N 0 1 378.866 3.477 20 0 GGADMN O=C1CCCC(=O)N1c1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000103058628 1410823511 /nfs/dbraw/zinc/82/35/11/1410823511.db2.gz YFLZDGVAFNBZCR-UHFFFAOYSA-N 0 1 396.827 3.323 20 0 GGADMN CCCOc1ccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1Cl ZINC000176897938 1428515345 /nfs/dbraw/zinc/51/53/45/1428515345.db2.gz DSSIFBHDBDIQIW-OAHLLOKOSA-N 0 1 381.904 3.315 20 0 GGADMN CN(C)C(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000103064834 1410823806 /nfs/dbraw/zinc/82/38/06/1410823806.db2.gz PXJQZHYXLMTOPC-UHFFFAOYSA-N 0 1 399.922 3.436 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ncccc1OCC(F)F ZINC000103065007 1410824001 /nfs/dbraw/zinc/82/40/01/1410824001.db2.gz GJWRSJWBCIENOK-CYBMUJFWSA-N 0 1 381.448 3.354 20 0 GGADMN CC(C)[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1 ZINC000103066410 1410824305 /nfs/dbraw/zinc/82/43/05/1410824305.db2.gz UDTBVTFCXQROEW-NRFANRHFSA-N 0 1 380.536 3.280 20 0 GGADMN CC(C)[C@@H](C(=O)NCc1cccc(CN(C)C)c1)S(=O)(=O)C1CCCCC1 ZINC000103068729 1410824588 /nfs/dbraw/zinc/82/45/88/1410824588.db2.gz PZNNOHTYQPXFMX-FQEVSTJZSA-N 0 1 394.581 3.137 20 0 GGADMN CC(C)[C@H](C(=O)NCc1cccc(CN(C)C)c1)S(=O)(=O)C1CCCCC1 ZINC000103068730 1410824613 /nfs/dbraw/zinc/82/46/13/1410824613.db2.gz PZNNOHTYQPXFMX-HXUWFJFHSA-N 0 1 394.581 3.137 20 0 GGADMN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2[nH]nc3ccccc32)c1C ZINC000103087872 1410827199 /nfs/dbraw/zinc/82/71/99/1410827199.db2.gz CXEUGGROBOQKEP-QGZVFWFLSA-N 0 1 380.473 3.334 20 0 GGADMN CC(C)(NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1ccc(F)cc1 ZINC000103130686 1410830226 /nfs/dbraw/zinc/83/02/26/1410830226.db2.gz KRIJNHZFBXFWDA-UHFFFAOYSA-N 0 1 385.464 3.266 20 0 GGADMN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]1CN1CCCCC1 ZINC000103160465 1410833071 /nfs/dbraw/zinc/83/30/71/1410833071.db2.gz YSFRQTXDQCDNPI-AWEZNQCLSA-N 0 1 394.434 3.484 20 0 GGADMN O=C(CCNCc1csc(-c2ccc3c(c2)OCO3)n1)NCc1ccccc1 ZINC000103170737 1410834276 /nfs/dbraw/zinc/83/42/76/1410834276.db2.gz NRXIUXZXSGMLDE-UHFFFAOYSA-N 0 1 395.484 3.335 20 0 GGADMN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000103187661 1410835893 /nfs/dbraw/zinc/83/58/93/1410835893.db2.gz QQFSJGFUKJYBDL-UHFFFAOYSA-N 0 1 378.392 3.292 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000103187663 1410835985 /nfs/dbraw/zinc/83/59/85/1410835985.db2.gz DXLPAMTVSKFRAB-UHFFFAOYSA-N 0 1 381.373 3.169 20 0 GGADMN CCN(C)[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000103189370 1410836051 /nfs/dbraw/zinc/83/60/51/1410836051.db2.gz KAFQDRHKQNSOQG-QGZVFWFLSA-N 0 1 381.398 3.332 20 0 GGADMN CCN(C)[C@@H](C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000103193572 1410836387 /nfs/dbraw/zinc/83/63/87/1410836387.db2.gz UAVNDTOECXLKQE-PKOBYXMFSA-N 0 1 389.540 3.443 20 0 GGADMN CCN(C)[C@@H](C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000103193542 1410836504 /nfs/dbraw/zinc/83/65/04/1410836504.db2.gz XZXZOPQBFBEYOA-LJQANCHMSA-N 0 1 389.540 3.443 20 0 GGADMN COc1ccccc1CN(CCO)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000103228483 1410838682 /nfs/dbraw/zinc/83/86/82/1410838682.db2.gz KGFIVZJXTNSVGU-OAQYLSRUSA-N 0 1 382.504 3.073 20 0 GGADMN Cc1nnc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[nH]1 ZINC000103254377 1410841078 /nfs/dbraw/zinc/84/10/78/1410841078.db2.gz JLDQHMVIGSNNKW-UHFFFAOYSA-N 0 1 388.781 3.035 20 0 GGADMN COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc3c[nH]nc32)cc1OC ZINC000103259282 1410841145 /nfs/dbraw/zinc/84/11/45/1410841145.db2.gz LKUKTCSWWTVISB-UHFFFAOYSA-N 0 1 391.431 3.386 20 0 GGADMN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nnc(C)[nH]3)c2)cc1 ZINC000103258539 1410841191 /nfs/dbraw/zinc/84/11/91/1410841191.db2.gz WOBGTHAKJAZJAI-UHFFFAOYSA-N 0 1 378.432 3.466 20 0 GGADMN CC(=O)CCc1ccc(OCc2cccc(C(=O)Nc3nc(C)n[nH]3)c2)cc1 ZINC000103258539 1410841192 /nfs/dbraw/zinc/84/11/92/1410841192.db2.gz WOBGTHAKJAZJAI-UHFFFAOYSA-N 0 1 378.432 3.466 20 0 GGADMN Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)[nH]1 ZINC000103255699 1410841270 /nfs/dbraw/zinc/84/12/70/1410841270.db2.gz NEHOBFBSVIWNRW-WMLDXEAASA-N 0 1 381.461 3.216 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)NC[C@@H](C)N3CCc4ccccc4C3)c2)n[nH]1 ZINC000103293222 1410843245 /nfs/dbraw/zinc/84/32/45/1410843245.db2.gz ZYTHHQLCEWZLGO-OAHLLOKOSA-N 0 1 390.491 3.348 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)c2)n[nH]1 ZINC000103293447 1410843274 /nfs/dbraw/zinc/84/32/74/1410843274.db2.gz JAUKFGOXYBHCAL-SFHVURJKSA-N 0 1 382.443 3.344 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C)c1)c1ccsc1 ZINC000103322896 1410847539 /nfs/dbraw/zinc/84/75/39/1410847539.db2.gz RDBYNQKWBCIFPD-KRWDZBQOSA-N 0 1 377.485 3.333 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000176907739 1428517531 /nfs/dbraw/zinc/51/75/31/1428517531.db2.gz YHSPMCMJWUQGAO-CVEARBPZSA-N 0 1 376.501 3.165 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000176907723 1428517696 /nfs/dbraw/zinc/51/76/96/1428517696.db2.gz YHSPMCMJWUQGAO-HZPDHXFCSA-N 0 1 376.501 3.165 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000103456572 1410858882 /nfs/dbraw/zinc/85/88/82/1410858882.db2.gz AWTLWJNEZMPFQF-LBPRGKRZSA-N 0 1 386.839 3.217 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000103456572 1410858885 /nfs/dbraw/zinc/85/88/85/1410858885.db2.gz AWTLWJNEZMPFQF-LBPRGKRZSA-N 0 1 386.839 3.217 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C=Cc3ccc4ccccc4n3)n2)cc1 ZINC000103456594 1410858896 /nfs/dbraw/zinc/85/88/96/1410858896.db2.gz GVVJECRTWGVAEH-JLHYYAGUSA-N 0 1 385.427 3.358 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C=Cc3ccc4ccccc4n3)n[nH]2)cc1 ZINC000103456594 1410858898 /nfs/dbraw/zinc/85/88/98/1410858898.db2.gz GVVJECRTWGVAEH-JLHYYAGUSA-N 0 1 385.427 3.358 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Cc3cc(Cl)ccc3OC)n2)cc1 ZINC000103456526 1410858929 /nfs/dbraw/zinc/85/89/29/1410858929.db2.gz RBJYQAFGQFNRQE-UHFFFAOYSA-N 0 1 386.839 3.001 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Cc3cc(Cl)ccc3OC)n[nH]2)cc1 ZINC000103456526 1410858932 /nfs/dbraw/zinc/85/89/32/1410858932.db2.gz RBJYQAFGQFNRQE-UHFFFAOYSA-N 0 1 386.839 3.001 20 0 GGADMN CCC(CC)(NCn1nc(CCC(N)=O)n(C)c1=S)c1ccc(Cl)cc1 ZINC000103458327 1410859576 /nfs/dbraw/zinc/85/95/76/1410859576.db2.gz VGVWIXGGTGWWJZ-UHFFFAOYSA-N 0 1 395.960 3.285 20 0 GGADMN Cc1c(C(=O)Nc2cc(CN(C)C)ccn2)nnn1-c1ccc(F)c(Cl)c1 ZINC000176908213 1428518260 /nfs/dbraw/zinc/51/82/60/1428518260.db2.gz ATWAVXPYPKLJTP-UHFFFAOYSA-N 0 1 388.834 3.077 20 0 GGADMN COc1cccc(CNC(=O)CN(C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000103475032 1410861895 /nfs/dbraw/zinc/86/18/95/1410861895.db2.gz REQRAALYDKADER-UHFFFAOYSA-N 0 1 392.503 3.266 20 0 GGADMN COc1cccc(C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C2CCC(O)CC2)c1 ZINC000103479797 1410862017 /nfs/dbraw/zinc/86/20/17/1410862017.db2.gz FQURLIKHJHVYGN-UHFFFAOYSA-N 0 1 399.516 3.299 20 0 GGADMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000103481705 1410862670 /nfs/dbraw/zinc/86/26/70/1410862670.db2.gz BXECLBZOUNXHGZ-LBPRGKRZSA-N 0 1 388.411 3.426 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000103482103 1410862712 /nfs/dbraw/zinc/86/27/12/1410862712.db2.gz ZHWUGEXNSWDUOJ-UHFFFAOYSA-N 0 1 387.911 3.482 20 0 GGADMN COc1ccccc1C(C)(C)NCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000103484337 1410862845 /nfs/dbraw/zinc/86/28/45/1410862845.db2.gz GYDHGWGQGABAGQ-UHFFFAOYSA-N 0 1 398.503 3.122 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)CNC(C)(C)c2ccccc2OC)c1 ZINC000103484309 1410862962 /nfs/dbraw/zinc/86/29/62/1410862962.db2.gz AIKRWPAGJLMWRU-HNNXBMFYSA-N 0 1 386.492 3.415 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000103501615 1410864474 /nfs/dbraw/zinc/86/44/74/1410864474.db2.gz DUXDZVNYBOIFAI-RDJZCZTQSA-N 0 1 396.503 3.283 20 0 GGADMN COCCN(CC(F)F)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000103603078 1410868345 /nfs/dbraw/zinc/86/83/45/1410868345.db2.gz DCTDPYZFIIGLML-INIZCTEOSA-N 0 1 389.874 3.400 20 0 GGADMN COc1ccccc1SC[C@H](C)CNC(=O)N1CCN(CC2CC2)CC1 ZINC000103620310 1410869378 /nfs/dbraw/zinc/86/93/78/1410869378.db2.gz OGDHDBYDQGMGAT-MRXNPFEDSA-N 0 1 377.554 3.161 20 0 GGADMN COc1ccccc1SC[C@@H](C)CNC(=O)N1CCN(CC2CC2)CC1 ZINC000103620308 1410869505 /nfs/dbraw/zinc/86/95/05/1410869505.db2.gz OGDHDBYDQGMGAT-INIZCTEOSA-N 0 1 377.554 3.161 20 0 GGADMN O=C(Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)c1[nH]nc2c1CCCC2 ZINC000103710919 1410871292 /nfs/dbraw/zinc/87/12/92/1410871292.db2.gz RMYHXFNTDNQHLA-INIZCTEOSA-N 0 1 380.404 3.409 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000103734275 1410872107 /nfs/dbraw/zinc/87/21/07/1410872107.db2.gz XISUCZOITDJZMX-UHFFFAOYSA-N 0 1 393.466 3.324 20 0 GGADMN COc1ccnc(N2CCN(C(=O)NCC(C)(C)c3ccc(F)cc3)CC2)c1 ZINC000103869925 1410877825 /nfs/dbraw/zinc/87/78/25/1410877825.db2.gz DRRWGPLADKCBLC-UHFFFAOYSA-N 0 1 386.471 3.039 20 0 GGADMN CON(C)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000103943004 1410879326 /nfs/dbraw/zinc/87/93/26/1410879326.db2.gz XHQDKQRPJKSFPI-UHFFFAOYSA-N 0 1 389.260 3.428 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000104037281 1410882254 /nfs/dbraw/zinc/88/22/54/1410882254.db2.gz SYLQFCYRGLPVLI-LJQANCHMSA-N 0 1 391.475 3.222 20 0 GGADMN O=C(CNC(=O)OCC(F)(F)F)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000104042153 1410882584 /nfs/dbraw/zinc/88/25/84/1410882584.db2.gz ALGPRMIQQWBHKP-UHFFFAOYSA-N 0 1 382.298 3.050 20 0 GGADMN C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000104060730 1410883609 /nfs/dbraw/zinc/88/36/09/1410883609.db2.gz QKULYBFDOZDJIW-HZPDHXFCSA-N 0 1 390.503 3.107 20 0 GGADMN C[C@H](C(=O)NC1CCCC1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000104060730 1410883610 /nfs/dbraw/zinc/88/36/10/1410883610.db2.gz QKULYBFDOZDJIW-HZPDHXFCSA-N 0 1 390.503 3.107 20 0 GGADMN Cc1oc(-c2ccccc2)nc1CN1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000104091383 1410884152 /nfs/dbraw/zinc/88/41/52/1410884152.db2.gz NCMVIPFKRHPSEJ-UHFFFAOYSA-N 0 1 393.491 3.026 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H](CN2CCC[C@@H]2C(=O)NCc2ccco2)C1 ZINC000104098530 1410884345 /nfs/dbraw/zinc/88/43/45/1410884345.db2.gz XPVZXUQSYHUIFU-SJLPKXTDSA-N 0 1 391.512 3.007 20 0 GGADMN CCN(CC)C(=O)COc1ccc(NC(=O)[C@@H]2CCCCN2CC)cc1Cl ZINC000104143012 1410885716 /nfs/dbraw/zinc/88/57/16/1410885716.db2.gz ICEJELOOGKMOCK-KRWDZBQOSA-N 0 1 395.931 3.400 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)c1cccs1 ZINC000104204372 1410886985 /nfs/dbraw/zinc/88/69/85/1410886985.db2.gz LHDLLBJJTSUMKE-IRXDYDNUSA-N 0 1 386.521 3.164 20 0 GGADMN CCN(CC)C(=O)c1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000104214824 1410887429 /nfs/dbraw/zinc/88/74/29/1410887429.db2.gz DORBCMUXMREKFT-HXUWFJFHSA-N 0 1 385.483 3.340 20 0 GGADMN C[C@@H](Sc1nncn1C)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000104228764 1410887983 /nfs/dbraw/zinc/88/79/83/1410887983.db2.gz FGAJEHSJKWEPAD-FZKQIMNGSA-N 0 1 392.488 3.078 20 0 GGADMN C[C@H](Sc1nncn1C)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000104228748 1410888043 /nfs/dbraw/zinc/88/80/43/1410888043.db2.gz FGAJEHSJKWEPAD-UGSOOPFHSA-N 0 1 392.488 3.078 20 0 GGADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000104324961 1410892215 /nfs/dbraw/zinc/89/22/15/1410892215.db2.gz LVYSELUSIUDWPA-UXLLHSPISA-N 0 1 384.442 3.348 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000104324961 1410892216 /nfs/dbraw/zinc/89/22/16/1410892216.db2.gz LVYSELUSIUDWPA-UXLLHSPISA-N 0 1 384.442 3.348 20 0 GGADMN C[C@H](NC(=O)/C=C/c1cncc(F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000104354679 1410893153 /nfs/dbraw/zinc/89/31/53/1410893153.db2.gz LQDVTKOCBJOZIS-VFQAQYNWSA-N 0 1 386.446 3.002 20 0 GGADMN O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000104390285 1410894435 /nfs/dbraw/zinc/89/44/35/1410894435.db2.gz SMDDCKRONHZJOI-MRXNPFEDSA-N 0 1 396.422 3.020 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000104412642 1410895317 /nfs/dbraw/zinc/89/53/17/1410895317.db2.gz PFDYLIKWVNFHCX-QGZVFWFLSA-N 0 1 387.553 3.249 20 0 GGADMN CN(CC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ncnc2[nH]cnc21 ZINC000104462963 1410896983 /nfs/dbraw/zinc/89/69/83/1410896983.db2.gz ZIVPIMJLNANSBA-INIZCTEOSA-N 0 1 384.871 3.100 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cc(F)c(F)cc1F ZINC000104479244 1410897332 /nfs/dbraw/zinc/89/73/32/1410897332.db2.gz JSFRRDCMCYOOOV-UHFFFAOYSA-N 0 1 379.363 3.131 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)c1 ZINC000104517620 1410898433 /nfs/dbraw/zinc/89/84/33/1410898433.db2.gz HDGWDLNXRYSNIJ-UHFFFAOYSA-N 0 1 376.460 3.218 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000104517456 1410898477 /nfs/dbraw/zinc/89/84/77/1410898477.db2.gz XVJDDMHOBUFVMK-UHFFFAOYSA-N 0 1 379.382 3.000 20 0 GGADMN COc1ccc2oc(C(=O)N3CCN(c4cc(OC)ccn4)CC3)c(C)c2c1 ZINC000104517023 1410898488 /nfs/dbraw/zinc/89/84/88/1410898488.db2.gz HXAQUQVBJGOESC-UHFFFAOYSA-N 0 1 381.432 3.116 20 0 GGADMN COc1ccnc(N2CCN(C(=O)/C=C/c3nc4ccccc4s3)CC2)c1 ZINC000104516237 1410898573 /nfs/dbraw/zinc/89/85/73/1410898573.db2.gz UIBZLILQFNSGAQ-VOTSOKGWSA-N 0 1 380.473 3.062 20 0 GGADMN COc1ccnc(N2CCN(C(=O)CCC(=O)c3cc(C)ccc3C)CC2)c1 ZINC000104516020 1410898607 /nfs/dbraw/zinc/89/86/07/1410898607.db2.gz YRKVNXUZZUAFNW-UHFFFAOYSA-N 0 1 381.476 3.019 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000104528991 1410898901 /nfs/dbraw/zinc/89/89/01/1410898901.db2.gz XITNUFSDLIPVHY-UHFFFAOYSA-N 0 1 389.569 3.352 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(-c4ccsc4)nc3C)CC2)c1 ZINC000104521213 1410898944 /nfs/dbraw/zinc/89/89/44/1410898944.db2.gz YEVOVOCUPIBANS-UHFFFAOYSA-N 0 1 394.500 3.485 20 0 GGADMN CNC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000104537583 1410899039 /nfs/dbraw/zinc/89/90/39/1410899039.db2.gz NFLGUADNAQRSSG-UHFFFAOYSA-N 0 1 384.823 3.107 20 0 GGADMN CNC(=O)CCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000104589221 1410906787 /nfs/dbraw/zinc/90/67/87/1410906787.db2.gz BIHWZOWYZVCIGM-UHFFFAOYSA-N 0 1 398.850 3.497 20 0 GGADMN CN(C[C@@H]1CCCOC1)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000176926795 1428522454 /nfs/dbraw/zinc/52/24/54/1428522454.db2.gz MLRLKXFVQIUTLE-ZDUSSCGKSA-N 0 1 397.447 3.023 20 0 GGADMN CC1(C)CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000104651021 1410917906 /nfs/dbraw/zinc/91/79/06/1410917906.db2.gz SQHNIUUIRQMZAT-UHFFFAOYSA-N 0 1 375.472 3.265 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)c1 ZINC000176927952 1428523013 /nfs/dbraw/zinc/52/30/13/1428523013.db2.gz FZUTYLCQLHCXCH-UHFFFAOYSA-N 0 1 379.464 3.154 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000176929262 1428523080 /nfs/dbraw/zinc/52/30/80/1428523080.db2.gz KTFQVFUJLKGMBL-LJQANCHMSA-N 0 1 376.476 3.191 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)COc2ccccc2OCC(F)(F)F)c1 ZINC000176928313 1428523335 /nfs/dbraw/zinc/52/33/35/1428523335.db2.gz SGNGKTOWLRZTEG-UHFFFAOYSA-N 0 1 383.370 3.102 20 0 GGADMN CNC(=O)[C@H]1CCCCN1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000104669699 1410925179 /nfs/dbraw/zinc/92/51/79/1410925179.db2.gz ZGBKSIFKOXSHCQ-LJQANCHMSA-N 0 1 381.476 3.408 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 ZINC000176931435 1428523850 /nfs/dbraw/zinc/52/38/50/1428523850.db2.gz MCFDLKQUJNZSHW-UHFFFAOYSA-N 0 1 397.429 3.348 20 0 GGADMN C[C@@H](NC(=O)CN(Cc1ccccc1C(F)(F)F)C1CCCC1)C(=O)N(C)C ZINC000104695708 1410932313 /nfs/dbraw/zinc/93/23/13/1410932313.db2.gz HPDSGTLFQIYSBT-CQSZACIVSA-N 0 1 399.457 3.043 20 0 GGADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NCCCN1CCCCCC1=O ZINC000104707093 1410935309 /nfs/dbraw/zinc/93/53/09/1410935309.db2.gz SMAHLOFFJMTVLS-UHFFFAOYSA-N 0 1 391.943 3.218 20 0 GGADMN CS(=O)(=O)c1ccc(NC(=O)CNC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000104707446 1410935932 /nfs/dbraw/zinc/93/59/32/1410935932.db2.gz HZWYYJGUBYNOHK-UHFFFAOYSA-N 0 1 392.908 3.351 20 0 GGADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NC1CCC2(CC1)OCCO2 ZINC000104707040 1410936461 /nfs/dbraw/zinc/93/64/61/1410936461.db2.gz KMSHXVCVZAMLOC-UHFFFAOYSA-N 0 1 378.900 3.111 20 0 GGADMN CS(=O)(=O)c1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000104704871 1410936579 /nfs/dbraw/zinc/93/65/79/1410936579.db2.gz KIDDDJBKJWNSNZ-FQEVSTJZSA-N 0 1 390.480 3.299 20 0 GGADMN O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176936217 1428524938 /nfs/dbraw/zinc/52/49/38/1428524938.db2.gz PLMZCOBDNOXZSW-AWEZNQCLSA-N 0 1 386.521 3.360 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000176935666 1428525076 /nfs/dbraw/zinc/52/50/76/1428525076.db2.gz LECQUERWWJMSTN-PMACEKPBSA-N 0 1 385.508 3.490 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(N2CCCC2=O)CC1)c1cccc2ccccc21 ZINC000104727862 1410947145 /nfs/dbraw/zinc/94/71/45/1410947145.db2.gz UGLARLQJSFAICM-QZTJIDSGSA-N 0 1 393.531 3.492 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(N2CCCC2=O)CC1)c1ccc2c(c1)CCCC2 ZINC000104727837 1410947690 /nfs/dbraw/zinc/94/76/90/1410947690.db2.gz SMEIQOCRMRXKKI-QZTJIDSGSA-N 0 1 397.563 3.218 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC000104731478 1410949085 /nfs/dbraw/zinc/94/90/85/1410949085.db2.gz RQVMKDMSODTRHR-UHFFFAOYSA-N 0 1 394.519 3.180 20 0 GGADMN C[N@@H+](CCN1CCN(C(=O)Nc2ccc(F)cc2F)CC1)Cc1ccccc1 ZINC000104768086 1410957864 /nfs/dbraw/zinc/95/78/64/1410957864.db2.gz WDNOCRUXTLPQJY-UHFFFAOYSA-N 0 1 388.462 3.246 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000104770641 1410959428 /nfs/dbraw/zinc/95/94/28/1410959428.db2.gz NKXQJNZPFSOLGU-UHFFFAOYSA-N 0 1 380.370 3.463 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000104770648 1410959648 /nfs/dbraw/zinc/95/96/48/1410959648.db2.gz PIWZGSFUADTYKW-UHFFFAOYSA-N 0 1 380.370 3.463 20 0 GGADMN CCNC(=O)CCCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000104827952 1410971894 /nfs/dbraw/zinc/97/18/94/1410971894.db2.gz JYEONXBWFQLTAO-UHFFFAOYSA-N 0 1 399.457 3.046 20 0 GGADMN CC1=NC(=S)N[C@@H](c2cc(Br)cs2)C1C(=O)OC(C)C ZINC000104842399 1410975187 /nfs/dbraw/zinc/97/51/87/1410975187.db2.gz COBSGCVSPYXFJK-NSHDSACASA-N 0 1 375.313 3.255 20 0 GGADMN CC(C)c1ccc(N2CC[C@H](C(=O)Nc3cc(CN(C)C)ccn3)C2=O)cc1 ZINC000176948110 1428528439 /nfs/dbraw/zinc/52/84/39/1428528439.db2.gz CMBWWTBUBDXIAT-LJQANCHMSA-N 0 1 380.492 3.258 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc5c4OCC(=O)N5)C3)[nH]c2c1 ZINC000104876948 1410987074 /nfs/dbraw/zinc/98/70/74/1410987074.db2.gz RUOMUOXWVSLSFB-AWEZNQCLSA-N 0 1 390.443 3.222 20 0 GGADMN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCC(OC2CCCC2)CC1 ZINC000104877475 1410987613 /nfs/dbraw/zinc/98/76/13/1410987613.db2.gz QVLJKJUHRBLVLI-JOCHJYFZSA-N 0 1 386.536 3.135 20 0 GGADMN CO[C@H](C)c1nc(CS(=O)(=O)c2nc(Cc3ccccc3)c(C)[nH]2)cs1 ZINC000176953673 1428529525 /nfs/dbraw/zinc/52/95/25/1428529525.db2.gz YLULKPTZXAGLCS-CYBMUJFWSA-N 0 1 391.518 3.447 20 0 GGADMN CC(C)c1noc(-c2ccc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)cc2)n1 ZINC000176953084 1428529701 /nfs/dbraw/zinc/52/97/01/1428529701.db2.gz UNVZJRUDDGHZCC-INIZCTEOSA-N 0 1 399.495 3.046 20 0 GGADMN C[N@H+](CCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C1CCCC1 ZINC000104927924 1411001740 /nfs/dbraw/zinc/00/17/40/1411001740.db2.gz LXQOSHHXACXQBI-UHFFFAOYSA-N 0 1 393.944 3.252 20 0 GGADMN C[N@@H+](CCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)C1CCCC1 ZINC000104927924 1411001750 /nfs/dbraw/zinc/00/17/50/1411001750.db2.gz LXQOSHHXACXQBI-UHFFFAOYSA-N 0 1 393.944 3.252 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000104972643 1411006094 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COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826194222 1428648331 /nfs/dbraw/zinc/64/83/31/1428648331.db2.gz FTVYOZVSTLDGSD-QGZVFWFLSA-N 0 1 395.438 3.252 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194222 1428648333 /nfs/dbraw/zinc/64/83/33/1428648333.db2.gz FTVYOZVSTLDGSD-QGZVFWFLSA-N 0 1 395.438 3.252 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826194222 1428648335 /nfs/dbraw/zinc/64/83/35/1428648335.db2.gz FTVYOZVSTLDGSD-QGZVFWFLSA-N 0 1 395.438 3.252 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000114378152 1412423084 /nfs/dbraw/zinc/42/30/84/1412423084.db2.gz PXMXPUGUHILVHW-KRWDZBQOSA-N 0 1 389.569 3.399 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCN(C)CC1 ZINC000114384076 1412424701 /nfs/dbraw/zinc/42/47/01/1412424701.db2.gz LUGSTDVYWINRJG-HNNXBMFYSA-N 0 1 389.446 3.123 20 0 GGADMN C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)N1CCc2ccccc2C1 ZINC000824571678 1428648684 /nfs/dbraw/zinc/64/86/84/1428648684.db2.gz QXEYHQXMVRREHT-CABCVRRESA-N 0 1 380.471 3.103 20 0 GGADMN O=C(CCc1cccnc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425214 1412431902 /nfs/dbraw/zinc/43/19/02/1412431902.db2.gz IZZXLLYINRXTTP-GOSISDBHSA-N 0 1 377.410 3.424 20 0 GGADMN O=C(CCc1ccccn1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425021 1412431963 /nfs/dbraw/zinc/43/19/63/1412431963.db2.gz MVVRBJZMQWHWIU-SFHVURJKSA-N 0 1 377.410 3.424 20 0 GGADMN O=C(/C=C/C1CCOCC1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425547 1412432168 /nfs/dbraw/zinc/43/21/68/1412432168.db2.gz BQZXRMRUWWKOAW-HNSSHINMSA-N 0 1 382.426 3.379 20 0 GGADMN Cc1noc(CCCC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000114425900 1412432684 /nfs/dbraw/zinc/43/26/84/1412432684.db2.gz OUBOIHDYJGRCDF-MRXNPFEDSA-N 0 1 396.413 3.110 20 0 GGADMN Fc1ccc2oc(N3CCC[C@@H](CN4CCN(c5ccccn5)CC4)C3)nc2c1 ZINC000114448693 1412434947 /nfs/dbraw/zinc/43/49/47/1412434947.db2.gz PZMIPJUWJZLMEP-KRWDZBQOSA-N 0 1 395.482 3.401 20 0 GGADMN CN(C[C@H](O)c1ccccc1F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000114461490 1412437288 /nfs/dbraw/zinc/43/72/88/1412437288.db2.gz LIJVDNAMRHKZQR-KSSFIOAISA-N 0 1 387.373 3.250 20 0 GGADMN CC(C)OCc1cccc(CNC(=O)CN(CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114466300 1412438659 /nfs/dbraw/zinc/43/86/59/1412438659.db2.gz CFEBKSLULBUNPO-HSZRJFAPSA-N 0 1 396.531 3.210 20 0 GGADMN CC(C)OCc1ccc(CNC(=O)CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000114467018 1412438785 /nfs/dbraw/zinc/43/87/85/1412438785.db2.gz JHIVJEGOKVDFOW-QHCPKHFHSA-N 0 1 396.531 3.210 20 0 GGADMN CC(C)OCc1cccc(CNC(=O)CN(CCO)[C@H]2CCc3ccccc32)c1 ZINC000114466302 1412438819 /nfs/dbraw/zinc/43/88/19/1412438819.db2.gz CFEBKSLULBUNPO-QHCPKHFHSA-N 0 1 396.531 3.210 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000114467024 1412439198 /nfs/dbraw/zinc/43/91/98/1412439198.db2.gz IATLFVZOTGPLNC-QVKFZJNVSA-N 0 1 388.458 3.466 20 0 GGADMN CC(C)OCc1ccccc1CNC(=O)CN(CCO)[C@@H]1CCc2ccccc21 ZINC000114467203 1412439528 /nfs/dbraw/zinc/43/95/28/1412439528.db2.gz MLFBRKKDNJVVFB-HSZRJFAPSA-N 0 1 396.531 3.210 20 0 GGADMN CCOc1cccc(CNC(=O)CN(CCO)[C@H]2CCCc3ccccc32)c1 ZINC000114468704 1412439914 /nfs/dbraw/zinc/43/99/14/1412439914.db2.gz VFGNXCCKPNERGL-QFIPXVFZSA-N 0 1 382.504 3.073 20 0 GGADMN COc1ccc(NC(=O)CN(CCO)[C@@H]2CCCc3ccccc32)cc1OC ZINC000114468646 1412439927 /nfs/dbraw/zinc/43/99/27/1412439927.db2.gz NJABBLXFYRHNAB-LJQANCHMSA-N 0 1 384.476 3.014 20 0 GGADMN Cc1cc(NC(=O)CN(CCO)[C@@H]2CCCc3ccccc32)n(C(C)(C)C)n1 ZINC000114468596 1412440035 /nfs/dbraw/zinc/44/00/35/1412440035.db2.gz BCMLNSSDRRCUAO-LJQANCHMSA-N 0 1 384.524 3.257 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000114469758 1412440826 /nfs/dbraw/zinc/44/08/26/1412440826.db2.gz OUCALHSCONLBFT-LAUBAEHRSA-N 0 1 382.504 3.244 20 0 GGADMN Cc1cc(NC(=O)CN(CCCO)[C@H]2CCc3ccccc32)n(C(C)(C)C)n1 ZINC000114469441 1412440931 /nfs/dbraw/zinc/44/09/31/1412440931.db2.gz JJPAUUPWAXSBMN-IBGZPJMESA-N 0 1 384.524 3.257 20 0 GGADMN Cc1ccc(CN(C(=O)CN(CCCO)[C@H]2CCc3ccccc32)C2CC2)o1 ZINC000114469598 1412441069 /nfs/dbraw/zinc/44/10/69/1412441069.db2.gz LTFDZYYBNGQNFM-QFIPXVFZSA-N 0 1 382.504 3.451 20 0 GGADMN COC(=O)CCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C(C)C ZINC000114475993 1412441998 /nfs/dbraw/zinc/44/19/98/1412441998.db2.gz LDUSBUSWCUIQOD-UHFFFAOYSA-N 0 1 375.513 3.279 20 0 GGADMN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CCc2ccccc2C1 ZINC000114490036 1412443683 /nfs/dbraw/zinc/44/36/83/1412443683.db2.gz YEFDPWFODFSTCQ-SFHVURJKSA-N 0 1 395.894 3.349 20 0 GGADMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000114489233 1412443793 /nfs/dbraw/zinc/44/37/93/1412443793.db2.gz VBBFFHKYBRPXFS-GOSISDBHSA-N 0 1 399.922 3.226 20 0 GGADMN COC(=O)c1sc2[n-]c(C[N@@H+](C)[C@H]3CCc4ccccc4C3)nc(=O)c2c1C ZINC000114490080 1412443844 /nfs/dbraw/zinc/44/38/44/1412443844.db2.gz GPJRBFDMZXCEFU-HNNXBMFYSA-N 0 1 397.500 3.069 20 0 GGADMN COC(=O)c1sc2[nH]c(CN(C)[C@H]3CCc4ccccc4C3)nc(=O)c2c1C ZINC000114490080 1412443854 /nfs/dbraw/zinc/44/38/54/1412443854.db2.gz GPJRBFDMZXCEFU-HNNXBMFYSA-N 0 1 397.500 3.069 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000114489253 1412443927 /nfs/dbraw/zinc/44/39/27/1412443927.db2.gz AVVUNTWTZISNNK-SFHVURJKSA-N 0 1 399.922 3.192 20 0 GGADMN CC(C)NC(=O)c1ccccc1NC(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000114489190 1412444016 /nfs/dbraw/zinc/44/40/16/1412444016.db2.gz MRBRAAFYTQZYMT-IBGZPJMESA-N 0 1 379.504 3.253 20 0 GGADMN COC(=O)c1sc2[n-]c(C[N@@H+](C)[C@@H]3CCc4ccccc4C3)nc(=O)c2c1C ZINC000114490078 1412444061 /nfs/dbraw/zinc/44/40/61/1412444061.db2.gz GPJRBFDMZXCEFU-OAHLLOKOSA-N 0 1 397.500 3.069 20 0 GGADMN COC(=O)c1sc2[nH]c(CN(C)[C@@H]3CCc4ccccc4C3)nc(=O)c2c1C ZINC000114490078 1412444064 /nfs/dbraw/zinc/44/40/64/1412444064.db2.gz GPJRBFDMZXCEFU-OAHLLOKOSA-N 0 1 397.500 3.069 20 0 GGADMN CC[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000114492561 1412445906 /nfs/dbraw/zinc/44/59/06/1412445906.db2.gz ZXUKTOPXXRTRSA-JOCHJYFZSA-N 0 1 379.504 3.471 20 0 GGADMN CC(C)(C)n1cc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 ZINC000114507844 1412448224 /nfs/dbraw/zinc/44/82/24/1412448224.db2.gz WIAHGRIVAFWDGG-MRXNPFEDSA-N 0 1 396.413 3.432 20 0 GGADMN CCn1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000114512904 1412449049 /nfs/dbraw/zinc/44/90/49/1412449049.db2.gz OJUYCFAGYXKWIG-OAHLLOKOSA-N 0 1 381.402 3.318 20 0 GGADMN CCn1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000114512906 1412449117 /nfs/dbraw/zinc/44/91/17/1412449117.db2.gz OJUYCFAGYXKWIG-HNNXBMFYSA-N 0 1 381.402 3.318 20 0 GGADMN O=C(NCCc1nccs1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114524443 1412452539 /nfs/dbraw/zinc/45/25/39/1412452539.db2.gz GAKBAKCASSHDIO-HNNXBMFYSA-N 0 1 398.454 3.278 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@](C)(O)c1ccccc1)N1CCCC1 ZINC000114583238 1412466372 /nfs/dbraw/zinc/46/63/72/1412466372.db2.gz IBHWQPQLKQLQMG-NFBKMPQASA-N 0 1 397.519 3.039 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC[C@](C)(O)c1ccccc1)N1CCCC1 ZINC000114583236 1412466579 /nfs/dbraw/zinc/46/65/79/1412466579.db2.gz IBHWQPQLKQLQMG-REWPJTCUSA-N 0 1 397.519 3.039 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCc3ccccc3C2)N(C)C)c1 ZINC000114583371 1412466808 /nfs/dbraw/zinc/46/68/08/1412466808.db2.gz XXQMSKWPEPPSPI-RBBKRZOGSA-N 0 1 381.520 3.497 20 0 GGADMN COC[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604079 1412472224 /nfs/dbraw/zinc/47/22/24/1412472224.db2.gz COXTXHQLDZFAGM-AEFFLSMTSA-N 0 1 399.457 3.348 20 0 GGADMN COC[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604077 1412472406 /nfs/dbraw/zinc/47/24/06/1412472406.db2.gz COXTXHQLDZFAGM-FUHWJXTLSA-N 0 1 399.457 3.348 20 0 GGADMN COC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000114604075 1412472484 /nfs/dbraw/zinc/47/24/84/1412472484.db2.gz COXTXHQLDZFAGM-SJLPKXTDSA-N 0 1 399.457 3.348 20 0 GGADMN CCOCCN(CC)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604311 1412473227 /nfs/dbraw/zinc/47/32/27/1412473227.db2.gz MUSLYWOGQMLBRM-KRWDZBQOSA-N 0 1 387.446 3.348 20 0 GGADMN CCCCN(CCO)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114604227 1412473462 /nfs/dbraw/zinc/47/34/62/1412473462.db2.gz TZFDVPCNNRIKRT-KRWDZBQOSA-N 0 1 387.446 3.084 20 0 GGADMN CCC[C@@](C)(CO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736416028 1428654449 /nfs/dbraw/zinc/65/44/49/1428654449.db2.gz JOKGHKVPNROAKB-NRFANRHFSA-N 0 1 381.480 3.086 20 0 GGADMN Cn1c(C(=O)N2CCCN(C)CC2)ccc1-c1ccc(Br)cc1 ZINC000114675635 1412494607 /nfs/dbraw/zinc/49/46/07/1412494607.db2.gz KSVVLGJZJRPFKO-UHFFFAOYSA-N 0 1 376.298 3.232 20 0 GGADMN Cc1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2n[nH]c3ccccc32)s1 ZINC000114707020 1412506926 /nfs/dbraw/zinc/50/69/26/1412506926.db2.gz WZLRFHFNZULDIE-INIZCTEOSA-N 0 1 382.489 3.416 20 0 GGADMN C[C@H](C(=O)NCCc1ccccc1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000114717754 1412509667 /nfs/dbraw/zinc/50/96/67/1412509667.db2.gz VAJBOTKWECSNDE-QGZVFWFLSA-N 0 1 397.494 3.224 20 0 GGADMN C[C@H](C(=O)NCCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000114721226 1412510644 /nfs/dbraw/zinc/51/06/44/1412510644.db2.gz VXSFPKIETRXALG-QGZVFWFLSA-N 0 1 376.504 3.490 20 0 GGADMN CCCO[C@H]1CCCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000114721132 1412510802 /nfs/dbraw/zinc/51/08/02/1412510802.db2.gz RWRBURFJTJSBGB-IBGZPJMESA-N 0 1 396.553 3.090 20 0 GGADMN CCCO[C@@H]1CCCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000114721130 1412510992 /nfs/dbraw/zinc/51/09/92/1412510992.db2.gz RWRBURFJTJSBGB-LJQANCHMSA-N 0 1 396.553 3.090 20 0 GGADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN(C)CC(C)(C)O ZINC000114727950 1412513006 /nfs/dbraw/zinc/51/30/06/1412513006.db2.gz RYTSTLUPWHZPEO-KRWDZBQOSA-N 0 1 397.519 3.161 20 0 GGADMN COc1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)c(OC(F)F)c1 ZINC000114758905 1412521147 /nfs/dbraw/zinc/52/11/47/1412521147.db2.gz MDOCSOGYDPBCDD-UHFFFAOYSA-N 0 1 385.432 3.131 20 0 GGADMN CCCOc1c(Br)cc(CN[C@H]2CCN(C(C)C)C2=O)cc1OC ZINC000114776014 1412521619 /nfs/dbraw/zinc/52/16/19/1412521619.db2.gz SKXHZJHBDLDPPD-HNNXBMFYSA-N 0 1 399.329 3.345 20 0 GGADMN CCCOc1c(Br)cc(CN[C@@H]2CCN(C(C)C)C2=O)cc1OC ZINC000114776013 1412521711 /nfs/dbraw/zinc/52/17/11/1412521711.db2.gz SKXHZJHBDLDPPD-OAHLLOKOSA-N 0 1 399.329 3.345 20 0 GGADMN CCC[C@H](C(=O)OCC)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000114802025 1412527939 /nfs/dbraw/zinc/52/79/39/1412527939.db2.gz CTSWZIJUVBMCSJ-LJQANCHMSA-N 0 1 378.488 3.194 20 0 GGADMN Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2cn[nH]c2-c2ccccc2)n1 ZINC000114800367 1412528179 /nfs/dbraw/zinc/52/81/79/1412528179.db2.gz KXCJTYAWWJOIDW-UHFFFAOYSA-N 0 1 393.428 3.453 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCN(C(C)C)C1=O)c1ccccc1Cl ZINC000114819475 1412532806 /nfs/dbraw/zinc/53/28/06/1412532806.db2.gz KHGIIOWAVOMCQK-ROUUACIJSA-N 0 1 394.947 3.031 20 0 GGADMN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)c(C)c1 ZINC000114842940 1412538042 /nfs/dbraw/zinc/53/80/42/1412538042.db2.gz YYRPGWXDUNJORR-LJQANCHMSA-N 0 1 395.503 3.113 20 0 GGADMN O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1cc(F)ccc1Cl ZINC000114843141 1412538940 /nfs/dbraw/zinc/53/89/40/1412538940.db2.gz KTWKRGZDHZXZIH-MRXNPFEDSA-N 0 1 389.858 3.198 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1cccc(Cl)c1F ZINC000114843151 1412539112 /nfs/dbraw/zinc/53/91/12/1412539112.db2.gz IWNDLCAQJUXCDQ-HNNXBMFYSA-N 0 1 389.858 3.198 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1cccc(C(F)F)c1 ZINC000114843311 1412539422 /nfs/dbraw/zinc/53/94/22/1412539422.db2.gz MBZGCMHQAQPRKW-SFHVURJKSA-N 0 1 387.430 3.344 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccc[nH]2)N(C)C)cc1OC ZINC000114911694 1412547108 /nfs/dbraw/zinc/54/71/08/1412547108.db2.gz KOTARTDCMBBJEW-MSOLQXFVSA-N 0 1 386.496 3.181 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCC[C@H]1c1ccc[nH]1 ZINC000114928934 1412550990 /nfs/dbraw/zinc/55/09/90/1412550990.db2.gz LGKJEHRIVBMOOW-NRFANRHFSA-N 0 1 381.524 3.074 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000114936529 1412552091 /nfs/dbraw/zinc/55/20/91/1412552091.db2.gz VMLIOZQGSGGXKN-KRWDZBQOSA-N 0 1 385.487 3.102 20 0 GGADMN CC[C@H](C)[C@H](O)CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000114961875 1412557367 /nfs/dbraw/zinc/55/73/67/1412557367.db2.gz FIEFZUYGGFMMKH-HNAYVOBHSA-N 0 1 381.948 3.258 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000115005852 1412564607 /nfs/dbraw/zinc/56/46/07/1412564607.db2.gz SDKFLOFQNFNYDC-JOCHJYFZSA-N 0 1 379.504 3.389 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826191368 1428660721 /nfs/dbraw/zinc/66/07/21/1428660721.db2.gz FBOOKRKWUYMYKW-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826191368 1428660723 /nfs/dbraw/zinc/66/07/23/1428660723.db2.gz FBOOKRKWUYMYKW-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826191368 1428660724 /nfs/dbraw/zinc/66/07/24/1428660724.db2.gz FBOOKRKWUYMYKW-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1sccc1-c1ccccc1 ZINC000115154795 1412600275 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CC(C)[C@@H](CO)N(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1ccccc1 ZINC000118846570 1413244093 /nfs/dbraw/zinc/24/40/93/1413244093.db2.gz OQDKROOZTRQKOL-NHCUHLMSSA-N 0 1 382.504 3.146 20 0 GGADMN CCN(CC)C(=O)C1(NCC(=O)Nc2cc(Cl)ccc2OC)CCCCC1 ZINC000118847281 1413244114 /nfs/dbraw/zinc/24/41/14/1413244114.db2.gz NVLWIWAJLHKORB-UHFFFAOYSA-N 0 1 395.931 3.448 20 0 GGADMN CCOc1ccccc1NC(=O)CNC1(C(=O)N(CC)CC)CCCCC1 ZINC000118847334 1413244359 /nfs/dbraw/zinc/24/43/59/1413244359.db2.gz UAIMLUCAXUKTPI-UHFFFAOYSA-N 0 1 375.513 3.185 20 0 GGADMN O=C([C@H](c1ccccc1)N1CCC(CN2CCCCC2=O)CC1)N1CCCCC1 ZINC000118851411 1413246732 /nfs/dbraw/zinc/24/67/32/1413246732.db2.gz FKLWUMREFAJLKQ-QHCPKHFHSA-N 0 1 397.563 3.465 20 0 GGADMN C[C@H](NC(=O)CN1CCC(CN2CCCCC2=O)CC1)c1ccc(Cl)cc1 ZINC000118852304 1413246739 /nfs/dbraw/zinc/24/67/39/1413246739.db2.gz PSJNGAXFQBXBKV-INIZCTEOSA-N 0 1 391.943 3.242 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000118851424 1413246792 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GGADMN CC(=O)Nc1ccc(Cl)c(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000118880186 1413258412 /nfs/dbraw/zinc/25/84/12/1413258412.db2.gz BKRYNISRQBXENR-UHFFFAOYSA-N 0 1 379.888 3.272 20 0 GGADMN CN1CC[C@H](CNC(=O)NCCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000118945633 1413268546 /nfs/dbraw/zinc/26/85/46/1413268546.db2.gz LJGIDJUUXLWKTP-DYVFJYSZSA-N 0 1 396.919 3.470 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000118952538 1413272579 /nfs/dbraw/zinc/27/25/79/1413272579.db2.gz VDIPMCXUNUJPPJ-KRWDZBQOSA-N 0 1 392.908 3.118 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000118952538 1413272585 /nfs/dbraw/zinc/27/25/85/1413272585.db2.gz VDIPMCXUNUJPPJ-KRWDZBQOSA-N 0 1 392.908 3.118 20 0 GGADMN C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000177388060 1428714234 /nfs/dbraw/zinc/71/42/34/1428714234.db2.gz VZIKEVICSHVAAQ-AWEZNQCLSA-N 0 1 385.430 3.273 20 0 GGADMN Cc1nn(C)c(Oc2ccccc2)c1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826334482 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20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000119005884 1413302214 /nfs/dbraw/zinc/30/22/14/1413302214.db2.gz RQGAXHKAVKZKFV-PMACEKPBSA-N 0 1 375.488 3.047 20 0 GGADMN Cc1ccc(-c2nc(CCNc3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)co2)cc1 ZINC000737289102 1428716389 /nfs/dbraw/zinc/71/63/89/1428716389.db2.gz STAQYFHBXYXUBU-UHFFFAOYSA-N 0 1 387.447 3.368 20 0 GGADMN CC(C)CCC[C@@H](C)NC(=O)CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119011318 1413303422 /nfs/dbraw/zinc/30/34/22/1413303422.db2.gz UMNPZEJMWHEQEB-CVEARBPZSA-N 0 1 383.558 3.040 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCC[C@@H]3c3cccc(C)n3)n2)cc1 ZINC000119013626 1413303911 /nfs/dbraw/zinc/30/39/11/1413303911.db2.gz VYAYLPDSGOAMJB-GOSISDBHSA-N 0 1 392.463 3.230 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCC[C@@H]3c3cccc(C)n3)n[nH]2)cc1 ZINC000119013626 1413303922 /nfs/dbraw/zinc/30/39/22/1413303922.db2.gz VYAYLPDSGOAMJB-GOSISDBHSA-N 0 1 392.463 3.230 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCc3c(C)cccc3C)n2)cc1 ZINC000119014303 1413304551 /nfs/dbraw/zinc/30/45/51/1413304551.db2.gz ZVNOVQZSUMIOMP-UHFFFAOYSA-N 0 1 379.464 3.139 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCc3c(C)cccc3C)n[nH]2)cc1 ZINC000119014303 1413304563 /nfs/dbraw/zinc/30/45/63/1413304563.db2.gz ZVNOVQZSUMIOMP-UHFFFAOYSA-N 0 1 379.464 3.139 20 0 GGADMN O=C(Cc1ccn[nH]1)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000177394306 1428716662 /nfs/dbraw/zinc/71/66/62/1428716662.db2.gz ZQBBAYWZYNGHAS-UHFFFAOYSA-N 0 1 399.878 3.206 20 0 GGADMN O=C(CCN1C(=O)CCc2ccccc21)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000119036805 1413311935 /nfs/dbraw/zinc/31/19/35/1413311935.db2.gz ZKVJIGSGHYOUCR-UHFFFAOYSA-N 0 1 395.850 3.433 20 0 GGADMN COC(=O)c1sc2cccc(F)c2c1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000119037150 1413313146 /nfs/dbraw/zinc/31/31/46/1413313146.db2.gz WHBOOUVNQXWAAN-ZDUSSCGKSA-N 0 1 388.468 3.331 20 0 GGADMN Cc1ccc2c(c1)OCCC[C@H]2NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000119056906 1413319940 /nfs/dbraw/zinc/31/99/40/1413319940.db2.gz BWDYSINSABGUKL-HXUWFJFHSA-N 0 1 394.519 3.095 20 0 GGADMN NC(=O)C1CCN(c2ncccc2CN[C@@H]2CCSc3ccccc32)CC1 ZINC000119060239 1413321012 /nfs/dbraw/zinc/32/10/12/1413321012.db2.gz ODUWHKHCKIAGKL-GOSISDBHSA-N 0 1 382.533 3.110 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000119069963 1413324959 /nfs/dbraw/zinc/32/49/59/1413324959.db2.gz UHLQAKBLTIKEIE-KSCDAYEDSA-N 0 1 381.520 3.113 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119088110 1413331755 /nfs/dbraw/zinc/33/17/55/1413331755.db2.gz GMUVJDMTICZINC-KGLIPLIRSA-N 0 1 381.402 3.036 20 0 GGADMN C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000119088231 1413331983 /nfs/dbraw/zinc/33/19/83/1413331983.db2.gz MMSXGZRVTVPZFB-GOSISDBHSA-N 0 1 392.503 3.308 20 0 GGADMN c1cn(C[C@H]2CCCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)nn1 ZINC000119094591 1413334400 /nfs/dbraw/zinc/33/44/00/1413334400.db2.gz STYODTXBGBGBBD-AWEZNQCLSA-N 0 1 383.477 3.043 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119096504 1413335239 /nfs/dbraw/zinc/33/52/39/1413335239.db2.gz ZYLDCVRSWGXRLR-KRWDZBQOSA-N 0 1 396.535 3.421 20 0 GGADMN CC[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1OC ZINC000119109633 1413340181 /nfs/dbraw/zinc/34/01/81/1413340181.db2.gz GLVDFSQIGMAIJN-IBGZPJMESA-N 0 1 382.508 3.033 20 0 GGADMN COCCOc1cccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000119111058 1413341013 /nfs/dbraw/zinc/34/10/13/1413341013.db2.gz HOUXTNLBUXBDMT-QGZVFWFLSA-N 0 1 398.507 3.454 20 0 GGADMN CCOc1ccc([C@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 ZINC000119118901 1413343631 /nfs/dbraw/zinc/34/36/31/1413343631.db2.gz CVJOIJINIYHTTA-INIZCTEOSA-N 0 1 382.508 3.033 20 0 GGADMN Cc1cc([C@H](C)NCc2cccnc2N2CCC(C(N)=O)CC2)cc(C)c1F ZINC000119121563 1413345489 /nfs/dbraw/zinc/34/54/89/1413345489.db2.gz XAPJLMBJPWDMLX-INIZCTEOSA-N 0 1 384.499 3.390 20 0 GGADMN COc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)cc1Cn1cccn1 ZINC000119120679 1413345548 /nfs/dbraw/zinc/34/55/48/1413345548.db2.gz MEKPGDYVEWBVHC-GOSISDBHSA-N 0 1 392.503 3.249 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ncccc2OCC(F)(F)F)N(C)C)c1 ZINC000177408852 1428723413 /nfs/dbraw/zinc/72/34/13/1428723413.db2.gz XTKISZRDSWRXAD-OAHLLOKOSA-N 0 1 397.397 3.064 20 0 GGADMN COc1cccc(Cn2ccc3ccc(NC(=O)NCCc4nc[nH]n4)cc32)c1 ZINC000119143877 1413353960 /nfs/dbraw/zinc/35/39/60/1413353960.db2.gz MIAVNVZCVFYWPV-UHFFFAOYSA-N 0 1 390.447 3.181 20 0 GGADMN COc1ccccc1SCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000119153318 1413357488 /nfs/dbraw/zinc/35/74/88/1413357488.db2.gz ARBAFHPYEOYUTB-UHFFFAOYSA-N 0 1 385.533 3.173 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119153825 1413357597 /nfs/dbraw/zinc/35/75/97/1413357597.db2.gz BZGVTLNJEYHPCB-KGLIPLIRSA-N 0 1 381.402 3.036 20 0 GGADMN CC(C)Cn1cc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cn1 ZINC000119161428 1413359948 /nfs/dbraw/zinc/35/99/48/1413359948.db2.gz XVBVXWWFNDLTHR-HNNXBMFYSA-N 0 1 392.385 3.195 20 0 GGADMN Cc1n[nH]c(C)c1CCC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119163120 1413360923 /nfs/dbraw/zinc/36/09/23/1413360923.db2.gz NSUYLNCFIOLWLK-MRXNPFEDSA-N 0 1 392.385 3.002 20 0 GGADMN O=C(CN1CCC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCCCCC2)cc1 ZINC000119165791 1413361891 /nfs/dbraw/zinc/36/18/91/1413361891.db2.gz PWQSQYXWLKTVTP-LJQANCHMSA-N 0 1 396.539 3.009 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1F ZINC000119174271 1413365098 /nfs/dbraw/zinc/36/50/98/1413365098.db2.gz KXAWROWQCKXFPR-UXPWSPDFSA-N 0 1 385.483 3.130 20 0 GGADMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1F ZINC000119174271 1413365102 /nfs/dbraw/zinc/36/51/02/1413365102.db2.gz KXAWROWQCKXFPR-UXPWSPDFSA-N 0 1 385.483 3.130 20 0 GGADMN COc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)ccc1OCc1ccncc1 ZINC000119190886 1413370623 /nfs/dbraw/zinc/37/06/23/1413370623.db2.gz QBZIQOZAWFJXSO-NFBKMPQASA-N 0 1 376.456 3.417 20 0 GGADMN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119190482 1413370901 /nfs/dbraw/zinc/37/09/01/1413370901.db2.gz LQWYGQTZYXEKQO-QUCCMNQESA-N 0 1 383.540 3.066 20 0 GGADMN COCc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)o1 ZINC000119197634 1413372429 /nfs/dbraw/zinc/37/24/29/1413372429.db2.gz OTOFCPIPUKIUEY-CQSZACIVSA-N 0 1 380.326 3.082 20 0 GGADMN COc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1F ZINC000119205457 1413374832 /nfs/dbraw/zinc/37/48/32/1413374832.db2.gz HIRNLBFUEQMMGX-OAHLLOKOSA-N 0 1 394.328 3.491 20 0 GGADMN C[C@@](CO)(NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000119207003 1413375355 /nfs/dbraw/zinc/37/53/55/1413375355.db2.gz HDTRFICCPVJKQJ-QFIPXVFZSA-N 0 1 391.531 3.421 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)c2ccc(CN3CCSCC3)cc2)cc1F ZINC000119220088 1413379305 /nfs/dbraw/zinc/37/93/05/1413379305.db2.gz PXJXTJJIHJKKLA-AREMUKBSSA-N 0 1 392.521 3.364 20 0 GGADMN O=C(CCc1cccnc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119221296 1413379820 /nfs/dbraw/zinc/37/98/20/1413379820.db2.gz IWEMRIKXSWYVMS-INIZCTEOSA-N 0 1 375.354 3.057 20 0 GGADMN CN(C)c1nc2cc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)ccc2o1 ZINC000119221606 1413380497 /nfs/dbraw/zinc/38/04/97/1413380497.db2.gz JMWRVAUEWSUXDS-ZDUSSCGKSA-N 0 1 395.467 3.301 20 0 GGADMN CN(C)c1nc2cc(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)ccc2o1 ZINC000119221705 1413380524 /nfs/dbraw/zinc/38/05/24/1413380524.db2.gz JMWRVAUEWSUXDS-CYBMUJFWSA-N 0 1 395.467 3.301 20 0 GGADMN CC(C)CCO[C@H](C)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119232624 1413383333 /nfs/dbraw/zinc/38/33/33/1413383333.db2.gz YCDGRMPLGDWYKK-IUODEOHRSA-N 0 1 384.402 3.480 20 0 GGADMN COc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000119231552 1413383627 /nfs/dbraw/zinc/38/36/27/1413383627.db2.gz IJXPJWUCNCARLF-OAHLLOKOSA-N 0 1 392.337 3.057 20 0 GGADMN COc1ccccc1-c1csc(NC(=O)c2cnc3c(cnn3C)c2O)n1 ZINC000119235444 1413384704 /nfs/dbraw/zinc/38/47/04/1413384704.db2.gz RXKRWQQWJNOIQA-UHFFFAOYSA-N 0 1 381.417 3.058 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119239886 1413386230 /nfs/dbraw/zinc/38/62/30/1413386230.db2.gz IBGNCCYAFGIRTL-MOPGFXCFSA-N 0 1 396.539 3.008 20 0 GGADMN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cnc2c(cnn2C)c1O ZINC000119245435 1413387776 /nfs/dbraw/zinc/38/77/76/1413387776.db2.gz INSIKWZQILHDEB-UHFFFAOYSA-N 0 1 381.436 3.219 20 0 GGADMN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cnc2n(C)[nH]cc-2c1=O ZINC000119245435 1413387789 /nfs/dbraw/zinc/38/77/89/1413387789.db2.gz INSIKWZQILHDEB-UHFFFAOYSA-N 0 1 381.436 3.219 20 0 GGADMN CCc1nn(C)c(OC)c1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000119247866 1413388604 /nfs/dbraw/zinc/38/86/04/1413388604.db2.gz DOGOSQXTGYKTTG-UHFFFAOYSA-N 0 1 393.413 3.485 20 0 GGADMN COCCCCCNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119261181 1413392681 /nfs/dbraw/zinc/39/26/81/1413392681.db2.gz KCKNZWRMEGKIML-AWEZNQCLSA-N 0 1 385.390 3.029 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cccc(OCc2noc(C)n2)c1)c1ccco1 ZINC000119262105 1413392799 /nfs/dbraw/zinc/39/27/99/1413392799.db2.gz RVWNBPWVQATKEV-GOSISDBHSA-N 0 1 398.463 3.363 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000119264401 1413393876 /nfs/dbraw/zinc/39/38/76/1413393876.db2.gz ZBHFYQDQHHTJLA-GOEBONIOSA-N 0 1 384.436 3.055 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1cccc2c1N=S=N2)c1ccccc1 ZINC000177411409 1428724757 /nfs/dbraw/zinc/72/47/57/1428724757.db2.gz FAHBZKVPXICAGJ-SJCJKPOMSA-N 0 1 384.461 3.492 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)N(C)C)cc1 ZINC000119272031 1413395984 /nfs/dbraw/zinc/39/59/84/1413395984.db2.gz LACXTHAGEARBEF-OAQYLSRUSA-N 0 1 392.503 3.396 20 0 GGADMN CCCOc1nc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc2ccccc21 ZINC000119280969 1413398175 /nfs/dbraw/zinc/39/81/75/1413398175.db2.gz ZFCMOXDOMSNZQI-UHFFFAOYSA-N 0 1 376.420 3.400 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1cccc2c1N=S=N2)c1ccccc1 ZINC000177411451 1428725060 /nfs/dbraw/zinc/72/50/60/1428725060.db2.gz FAHBZKVPXICAGJ-SJKOYZFVSA-N 0 1 384.461 3.492 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000119283365 1413399029 /nfs/dbraw/zinc/39/90/29/1413399029.db2.gz DAPKNKPZWUXRMY-HXUWFJFHSA-N 0 1 376.460 3.060 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000119285303 1413399490 /nfs/dbraw/zinc/39/94/90/1413399490.db2.gz QAMKVUUOANGKOM-QGZVFWFLSA-N 0 1 382.489 3.121 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1ccc(F)cc1 ZINC000119296799 1413402693 /nfs/dbraw/zinc/40/26/93/1413402693.db2.gz CXQMNPRHXCHZON-FHWLQOOXSA-N 0 1 389.471 3.319 20 0 GGADMN Cc1oc(-c2ccccc2F)nc1C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000119301868 1413404447 /nfs/dbraw/zinc/40/44/47/1413404447.db2.gz XQDJLXNREWHNLX-HNNXBMFYSA-N 0 1 376.428 3.303 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000177412736 1428725496 /nfs/dbraw/zinc/72/54/96/1428725496.db2.gz YIECABJBVUJGPJ-UGSOOPFHSA-N 0 1 392.402 3.367 20 0 GGADMN COC(=O)[C@@]1(C)CCN(Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000177414102 1428726167 /nfs/dbraw/zinc/72/61/67/1428726167.db2.gz PFHBULCDWMMAOE-IBGZPJMESA-N 0 1 376.478 3.212 20 0 GGADMN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1c(O)cccc1F ZINC000119342360 1413417928 /nfs/dbraw/zinc/41/79/28/1413417928.db2.gz AQQHVQMYJZBKFX-UHFFFAOYSA-N 0 1 398.843 3.222 20 0 GGADMN CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)N2CCc3ccccc3C2)no1 ZINC000177414527 1428726455 /nfs/dbraw/zinc/72/64/55/1428726455.db2.gz BNPQOHUFYPHQCM-APWZRJJASA-N 0 1 397.523 3.486 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1nnc(/C=C/c2ccco2)s1 ZINC000119355932 1413422269 /nfs/dbraw/zinc/42/22/69/1413422269.db2.gz XJVHDRJVPONSFC-BQYQJAHWSA-N 0 1 395.488 3.481 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000119359117 1413422839 /nfs/dbraw/zinc/42/28/39/1413422839.db2.gz DKEKQKIIZWLYFN-SQNIBIBYSA-N 0 1 393.503 3.238 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3C(F)(F)F)C2)CC1 ZINC000119365294 1413425313 /nfs/dbraw/zinc/42/53/13/1413425313.db2.gz UPMWGFSRGGURJB-DLBZAZTESA-N 0 1 397.485 3.437 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000119381614 1413430223 /nfs/dbraw/zinc/43/02/23/1413430223.db2.gz SEYXHMQVSCGVOC-UHFFFAOYSA-N 0 1 390.427 3.192 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000177418191 1428727498 /nfs/dbraw/zinc/72/74/98/1428727498.db2.gz SBHCJVGNUKKJRO-ORAYPTAESA-N 0 1 390.867 3.427 20 0 GGADMN CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821139251 1428727554 /nfs/dbraw/zinc/72/75/54/1428727554.db2.gz RKYBODQYEQQFMT-CQSZACIVSA-N 0 1 396.470 3.007 20 0 GGADMN CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821139251 1428727562 /nfs/dbraw/zinc/72/75/62/1428727562.db2.gz RKYBODQYEQQFMT-CQSZACIVSA-N 0 1 396.470 3.007 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccccc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000821818697 1428727739 /nfs/dbraw/zinc/72/77/39/1428727739.db2.gz YLYOLZMJRSVYEO-UHFFFAOYSA-N 0 1 393.369 3.106 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000177417095 1428727855 /nfs/dbraw/zinc/72/78/55/1428727855.db2.gz PEEXLEXDXWKAIQ-ACJLOTCBSA-N 0 1 392.402 3.367 20 0 GGADMN CCN1CCCN(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 ZINC000119422164 1413442180 /nfs/dbraw/zinc/44/21/80/1413442180.db2.gz AZJBXRPAMTVRBI-UHFFFAOYSA-N 0 1 391.874 3.297 20 0 GGADMN C[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)n1cccc1 ZINC000119441562 1413447976 /nfs/dbraw/zinc/44/79/76/1413447976.db2.gz JVINEOGSCNXMPP-HNNXBMFYSA-N 0 1 394.441 3.136 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCCCC[C@H]1c1ccco1 ZINC000119444280 1413448619 /nfs/dbraw/zinc/44/86/19/1413448619.db2.gz NQNBUZNHUFXZHP-KRWDZBQOSA-N 0 1 380.448 3.420 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000119446785 1413449519 /nfs/dbraw/zinc/44/95/19/1413449519.db2.gz SMTLOKJKQRYCCT-KSSFIOAISA-N 0 1 386.471 3.194 20 0 GGADMN CC[C@@H](CNC(=O)N1CCO[C@H](c2ccco2)C1)[N@H+]1CCc2ccccc2C1 ZINC000119453731 1413452088 /nfs/dbraw/zinc/45/20/88/1413452088.db2.gz FJJAITBQAUOQPI-FPOVZHCZSA-N 0 1 383.492 3.199 20 0 GGADMN C[C@H]1CN(Cc2ccccc2NCc2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000119458112 1413453849 /nfs/dbraw/zinc/45/38/49/1413453849.db2.gz KELYOIMLYWKZEU-ROUUACIJSA-N 0 1 377.492 3.489 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000119457557 1413453895 /nfs/dbraw/zinc/45/38/95/1413453895.db2.gz DPHRZHDSGKPLNB-OLZOCXBDSA-N 0 1 379.476 3.278 20 0 GGADMN C[C@H]1C[C@H](N(C)CC(=O)[N-]OCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000119460232 1413454557 /nfs/dbraw/zinc/45/45/57/1413454557.db2.gz RWXQKGAILQMJEN-SIKLNZKXSA-N 0 1 381.520 3.219 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCc1cc(=O)oc2cc(OC)ccc12)c1ccccc1 ZINC000177410077 1428724139 /nfs/dbraw/zinc/72/41/39/1428724139.db2.gz HHLUTDVPJLGATO-SPLOXXLWSA-N 0 1 381.428 3.442 20 0 GGADMN Cn1ccnc1-c1cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)[nH]n1 ZINC000119467645 1413457732 /nfs/dbraw/zinc/45/77/32/1413457732.db2.gz WNYYEJRTMUAPCU-UHFFFAOYSA-N 0 1 390.488 3.224 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3)c2C)CCN1CCOC ZINC000119475790 1413459578 /nfs/dbraw/zinc/45/95/78/1413459578.db2.gz GKKXAVZMRYAJDY-LJQANCHMSA-N 0 1 385.512 3.145 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cnn(-c3ccccc3)c2C)CCN1CCOC ZINC000119475926 1413459800 /nfs/dbraw/zinc/45/98/00/1413459800.db2.gz GKKXAVZMRYAJDY-IBGZPJMESA-N 0 1 385.512 3.145 20 0 GGADMN CCCOc1cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC ZINC000119484095 1413462542 /nfs/dbraw/zinc/46/25/42/1413462542.db2.gz OIUCWSJGBHDVBT-OAHLLOKOSA-N 0 1 392.521 3.324 20 0 GGADMN O=C(NCc1cccc2c1OCCCO2)NC[C@@H](c1ccco1)N1CCCC1 ZINC000119486006 1413463325 /nfs/dbraw/zinc/46/33/25/1413463325.db2.gz OYLYIONEINBBEN-KRWDZBQOSA-N 0 1 385.464 3.077 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964663 1428728997 /nfs/dbraw/zinc/72/89/97/1428728997.db2.gz NILOUWMYVQYDCZ-SFHVURJKSA-N 0 1 380.427 3.172 20 0 GGADMN COC(=O)c1cccc(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000119491838 1413464580 /nfs/dbraw/zinc/46/45/80/1413464580.db2.gz IDTBJDLAMPVVMP-GOSISDBHSA-N 0 1 379.416 3.382 20 0 GGADMN Cc1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)cnc1Cl ZINC000119492749 1413465410 /nfs/dbraw/zinc/46/54/10/1413465410.db2.gz CBFMJHUMSXMLQI-UHFFFAOYSA-N 0 1 397.859 3.219 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(F)c(F)c(F)c1F ZINC000119535740 1413478894 /nfs/dbraw/zinc/47/88/94/1413478894.db2.gz CWVYFJSOEDMITG-UHFFFAOYSA-N 0 1 395.400 3.185 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000119535456 1413479062 /nfs/dbraw/zinc/47/90/62/1413479062.db2.gz MAIOQKWETUQEJH-INIZCTEOSA-N 0 1 381.455 3.271 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccnc1Br)c1cccc(F)c1 ZINC000119543973 1413481539 /nfs/dbraw/zinc/48/15/39/1413481539.db2.gz QUTPXUNFUOGCFA-AWEZNQCLSA-N 0 1 381.249 3.408 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000119547712 1413482354 /nfs/dbraw/zinc/48/23/54/1413482354.db2.gz CRUIISOIZZPSBV-JTSKRJEESA-N 0 1 387.483 3.496 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C(C)C)CC2)cc1OCC1CCOCC1 ZINC000119555611 1413484345 /nfs/dbraw/zinc/48/43/45/1413484345.db2.gz ZVVTVGMKBXXEQE-UHFFFAOYSA-N 0 1 375.513 3.358 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CC[C@@H](OCC(C)C)C2)c1 ZINC000119556763 1413484793 /nfs/dbraw/zinc/48/47/93/1413484793.db2.gz DQIMJVYZGXAYDW-XYJFISCASA-N 0 1 378.513 3.016 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1nccs1 ZINC000119570447 1413489319 /nfs/dbraw/zinc/48/93/19/1413489319.db2.gz QYHZJXAMLKHVEF-JOYOIKCWSA-N 0 1 396.398 3.430 20 0 GGADMN O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000119580394 1413491879 /nfs/dbraw/zinc/49/18/79/1413491879.db2.gz MPEMGXCJYKSLOV-JOCHJYFZSA-N 0 1 379.504 3.251 20 0 GGADMN CC[C@@H](NCc1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccc(F)cc1F ZINC000119580392 1413492056 /nfs/dbraw/zinc/49/20/56/1413492056.db2.gz HMNGPTVKLXXICT-MRXNPFEDSA-N 0 1 394.418 3.087 20 0 GGADMN CCc1nnc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)s1 ZINC000119599245 1413499243 /nfs/dbraw/zinc/49/92/43/1413499243.db2.gz XBRJYIFOYKOMBA-LLVKDONJSA-N 0 1 397.386 3.149 20 0 GGADMN CCCCCN(CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccc(Cl)cc1 ZINC000119604326 1413500677 /nfs/dbraw/zinc/50/06/77/1413500677.db2.gz SYWDYJHHQJNQKE-UHFFFAOYSA-N 0 1 393.959 3.459 20 0 GGADMN CCc1noc(C)c1CN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000119613070 1413503475 /nfs/dbraw/zinc/50/34/75/1413503475.db2.gz MIIIXPCEYUGIDT-UHFFFAOYSA-N 0 1 381.517 3.441 20 0 GGADMN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119640410 1413512324 /nfs/dbraw/zinc/51/23/24/1413512324.db2.gz ASHHNGQMAGDRSO-RXVVDRJESA-N 0 1 375.476 3.370 20 0 GGADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000119657129 1413518244 /nfs/dbraw/zinc/51/82/44/1413518244.db2.gz XLJKQYSUIFHMFA-UHFFFAOYSA-N 0 1 385.489 3.113 20 0 GGADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2OC)cc1OC ZINC000119661143 1413520084 /nfs/dbraw/zinc/52/00/84/1413520084.db2.gz ASZOZRDHQOJECW-HOTGVXAUSA-N 0 1 386.492 3.458 20 0 GGADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)C[C@H](O)COCc1cccs1 ZINC000119662235 1413520629 /nfs/dbraw/zinc/52/06/29/1413520629.db2.gz ZHMMAXXWGFFKED-KRWDZBQOSA-N 0 1 380.485 3.114 20 0 GGADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2OC)cc1OC ZINC000119661433 1413520695 /nfs/dbraw/zinc/52/06/95/1413520695.db2.gz ASZOZRDHQOJECW-JKSUJKDBSA-N 0 1 386.492 3.458 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000119662178 1413521132 /nfs/dbraw/zinc/52/11/32/1413521132.db2.gz DGSNOEXPCGJONC-WFASDCNBSA-N 0 1 397.475 3.380 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000119681143 1413529660 /nfs/dbraw/zinc/52/96/60/1413529660.db2.gz ZPUWSCOVDNREKE-UONOGXRCSA-N 0 1 385.464 3.094 20 0 GGADMN CC(C)CCC1CCN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000119686791 1413530933 /nfs/dbraw/zinc/53/09/33/1413530933.db2.gz RHEZLDKRCGTTIC-UHFFFAOYSA-N 0 1 387.572 3.191 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(C(C)=O)c(C)c3)n2)cc1 ZINC000119690482 1413532519 /nfs/dbraw/zinc/53/25/19/1413532519.db2.gz XXLBSSJSVGPKCY-UHFFFAOYSA-N 0 1 379.420 3.313 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc(C(C)=O)c(C)c3)n[nH]2)cc1 ZINC000119690482 1413532527 /nfs/dbraw/zinc/53/25/27/1413532527.db2.gz XXLBSSJSVGPKCY-UHFFFAOYSA-N 0 1 379.420 3.313 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119707879 1413540382 /nfs/dbraw/zinc/54/03/82/1413540382.db2.gz LLWIDNWVVQSSQI-ZDUSSCGKSA-N 0 1 398.488 3.136 20 0 GGADMN Cc1ccc(CNC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1F ZINC000119708298 1413540537 /nfs/dbraw/zinc/54/05/37/1413540537.db2.gz GZTVTQHXWWRBAJ-UHFFFAOYSA-N 0 1 384.499 3.146 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](c2ccco2)N(C)C)cc1OC ZINC000119713720 1413541681 /nfs/dbraw/zinc/54/16/81/1413541681.db2.gz SFKKTVXCGQPUHQ-AWEZNQCLSA-N 0 1 383.286 3.452 20 0 GGADMN CN(CCN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(=O)OC(C)(C)C ZINC000119714928 1413542270 /nfs/dbraw/zinc/54/22/70/1413542270.db2.gz QNGSYHOKSWWRAM-UHFFFAOYSA-N 0 1 376.432 3.155 20 0 GGADMN CCCN1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000119715627 1413542285 /nfs/dbraw/zinc/54/22/85/1413542285.db2.gz ISZJDISGFZMSEP-GOSISDBHSA-N 0 1 375.538 3.079 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ncccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000177433130 1428735623 /nfs/dbraw/zinc/73/56/23/1428735623.db2.gz MEYMAIWUVHVSMR-CQSZACIVSA-N 0 1 385.361 3.195 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)c1cccs1 ZINC000119724979 1413545652 /nfs/dbraw/zinc/54/56/52/1413545652.db2.gz FSVZLDQUHQCCQX-HNNXBMFYSA-N 0 1 387.534 3.191 20 0 GGADMN O=C(CNC(=O)Cc1cccc(F)c1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119732040 1413548451 /nfs/dbraw/zinc/54/84/51/1413548451.db2.gz GFGJKUMCCHATLE-UHFFFAOYSA-N 0 1 380.423 3.267 20 0 GGADMN Cc1cccc(NC2CCN(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000119734807 1413549553 /nfs/dbraw/zinc/54/95/53/1413549553.db2.gz YPFATZHLSSSZPR-RTBURBONSA-N 0 1 388.556 3.080 20 0 GGADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000119744660 1413552090 /nfs/dbraw/zinc/55/20/90/1413552090.db2.gz BZEPABPVVIYDCO-NSHDSACASA-N 0 1 380.370 3.180 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000119749306 1413554762 /nfs/dbraw/zinc/55/47/62/1413554762.db2.gz YAGTVWWEPZQMRC-OLZOCXBDSA-N 0 1 376.432 3.268 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1 ZINC000119756612 1413557261 /nfs/dbraw/zinc/55/72/61/1413557261.db2.gz WWJGBSXPQFFJNE-MANSERQUSA-N 0 1 375.488 3.075 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000177437367 1428736691 /nfs/dbraw/zinc/73/66/91/1428736691.db2.gz AHSCDPTWTLBGON-GFCCVEGCSA-N 0 1 388.859 3.415 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c2ccccc12 ZINC000119759732 1413557860 /nfs/dbraw/zinc/55/78/60/1413557860.db2.gz TYZDKJICSZJFNM-UHFFFAOYSA-N 0 1 380.429 3.230 20 0 GGADMN COc1cc(Oc2ccccc2)ccc1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000119764410 1413560661 /nfs/dbraw/zinc/56/06/61/1413560661.db2.gz KKEUBQBJCIBDSN-KRWDZBQOSA-N 0 1 398.507 3.245 20 0 GGADMN CCc1cc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n[nH]1 ZINC000119769273 1413562582 /nfs/dbraw/zinc/56/25/82/1413562582.db2.gz YEJSOXVKOYOSAH-UHFFFAOYSA-N 0 1 375.860 3.006 20 0 GGADMN COC(=O)[C@]1(C)CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000177440664 1428737416 /nfs/dbraw/zinc/73/74/16/1428737416.db2.gz PJEXBFLFIKVSOC-UZUQRXQVSA-N 0 1 380.488 3.489 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1noc(Cc2ccccc2)n1 ZINC000177438450 1428737459 /nfs/dbraw/zinc/73/74/59/1428737459.db2.gz AOTBIYBOUKSODN-HOCLYGCPSA-N 0 1 399.520 3.385 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(Br)n1 ZINC000119816138 1413580021 /nfs/dbraw/zinc/58/00/21/1413580021.db2.gz NWRZNWBRKTYDHX-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN CCOC(=O)c1sc2nc(CN[C@H]3CC(C)(C)OC3(C)C)nc(N)c2c1C ZINC000119822106 1413581621 /nfs/dbraw/zinc/58/16/21/1413581621.db2.gz SDHZSIIZZKGLPA-NSHDSACASA-N 0 1 392.525 3.194 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000119829792 1413585200 /nfs/dbraw/zinc/58/52/00/1413585200.db2.gz OHBUOIHFVODCTO-OAHLLOKOSA-N 0 1 389.521 3.040 20 0 GGADMN 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1413916395 /nfs/dbraw/zinc/91/63/95/1413916395.db2.gz CWQILTMIOBIGLN-JTQLQIEISA-N 0 1 386.456 3.006 20 0 GGADMN Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)NCCc1nc[nH]n1 ZINC000120826974 1413917139 /nfs/dbraw/zinc/91/71/39/1413917139.db2.gz DDMLIPQENDOIBJ-UHFFFAOYSA-N 0 1 393.426 3.170 20 0 GGADMN C[C@H](O)[C@H]1CCCN(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000120831779 1413919151 /nfs/dbraw/zinc/91/91/51/1413919151.db2.gz MAZMANQMWAUMST-HKUYNNGSSA-N 0 1 379.504 3.412 20 0 GGADMN C[C@H](O)[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000120831491 1413919243 /nfs/dbraw/zinc/91/92/43/1413919243.db2.gz MAZMANQMWAUMST-PKOBYXMFSA-N 0 1 379.504 3.412 20 0 GGADMN CC(=O)Nc1cc(C(=O)N2CCN(C3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000120838950 1413921875 /nfs/dbraw/zinc/92/18/75/1413921875.db2.gz CFNRVDMSJYKKGH-UHFFFAOYSA-N 0 1 383.414 3.364 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000120842270 1413923501 /nfs/dbraw/zinc/92/35/01/1413923501.db2.gz PTZIONDICSCBAN-QZXCRCNTSA-N 0 1 386.521 3.166 20 0 GGADMN CC(C)[C@H](NCCOc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 ZINC000120851463 1413926361 /nfs/dbraw/zinc/92/63/61/1413926361.db2.gz OJWKQBUAZPJODV-KRWDZBQOSA-N 0 1 378.436 3.374 20 0 GGADMN CC(C)[C@@H](NCCOc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 ZINC000120851614 1413926426 /nfs/dbraw/zinc/92/64/26/1413926426.db2.gz OJWKQBUAZPJODV-QGZVFWFLSA-N 0 1 378.436 3.374 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(OC)c(F)c2)C12CCC2 ZINC000120857296 1413928524 /nfs/dbraw/zinc/92/85/24/1413928524.db2.gz IUDXKTWGGRKYLU-RTBURBONSA-N 0 1 378.488 3.072 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(OC)c(F)c2)C12CCC2 ZINC000120857296 1413928531 /nfs/dbraw/zinc/92/85/31/1413928531.db2.gz IUDXKTWGGRKYLU-RTBURBONSA-N 0 1 378.488 3.072 20 0 GGADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@H](O)Cc1ccccc1 ZINC000120858255 1413928665 /nfs/dbraw/zinc/92/86/65/1413928665.db2.gz IREWUXGMRMUYGG-HTAPYJJXSA-N 0 1 399.510 3.081 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)N1CCCCCC1 ZINC000120859844 1413928835 /nfs/dbraw/zinc/92/88/35/1413928835.db2.gz FWIFMBGDDYAPQK-QGZVFWFLSA-N 0 1 386.471 3.458 20 0 GGADMN O=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120860306 1413928845 /nfs/dbraw/zinc/92/88/45/1413928845.db2.gz UCKDFAHJUOVXEP-CYBMUJFWSA-N 0 1 380.477 3.220 20 0 GGADMN C[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000120858706 1413929317 /nfs/dbraw/zinc/92/93/17/1413929317.db2.gz IREWUXGMRMUYGG-VGSWGCGISA-N 0 1 399.510 3.081 20 0 GGADMN NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120865197 1413930457 /nfs/dbraw/zinc/93/04/57/1413930457.db2.gz GMJUISDBSGYZEQ-FUHWJXTLSA-N 0 1 380.423 3.282 20 0 GGADMN NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120865197 1413930462 /nfs/dbraw/zinc/93/04/62/1413930462.db2.gz GMJUISDBSGYZEQ-FUHWJXTLSA-N 0 1 380.423 3.282 20 0 GGADMN COc1cc(CCC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000120870370 1413932326 /nfs/dbraw/zinc/93/23/26/1413932326.db2.gz KKTMPNZSRVWJOW-JZXOWHBKSA-N 0 1 394.943 3.381 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000120877976 1413934761 /nfs/dbraw/zinc/93/47/61/1413934761.db2.gz RKLOWNBHZSYLRH-ICSRJNTNSA-N 0 1 396.535 3.437 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000120877842 1413934951 /nfs/dbraw/zinc/93/49/51/1413934951.db2.gz RKLOWNBHZSYLRH-QUCCMNQESA-N 0 1 396.535 3.437 20 0 GGADMN Cc1nc(CN2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)cs1 ZINC000120887073 1413938043 /nfs/dbraw/zinc/93/80/43/1413938043.db2.gz IAGIANLEEUJSKC-OAQYLSRUSA-N 0 1 398.576 3.150 20 0 GGADMN Cc1nc(CN2CCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CC2)cs1 ZINC000120887073 1413938054 /nfs/dbraw/zinc/93/80/54/1413938054.db2.gz IAGIANLEEUJSKC-OAQYLSRUSA-N 0 1 398.576 3.150 20 0 GGADMN O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120887845 1413938684 /nfs/dbraw/zinc/93/86/84/1413938684.db2.gz GZVPCBHJMDXZAZ-GFCCVEGCSA-N 0 1 378.835 3.260 20 0 GGADMN CSc1nc(C2CC2)nc(C)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120888194 1413938731 /nfs/dbraw/zinc/93/87/31/1413938731.db2.gz FWMHIZHBCGUWBY-CQSZACIVSA-N 0 1 398.536 3.400 20 0 GGADMN Cc1cc(C)c(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c(=O)[nH]1 ZINC000120890192 1413939344 /nfs/dbraw/zinc/93/93/44/1413939344.db2.gz INSUZQIZNLPXGT-UHFFFAOYSA-N 0 1 375.472 3.103 20 0 GGADMN Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391122 1428767748 /nfs/dbraw/zinc/76/77/48/1428767748.db2.gz YNMCJPAOLNDEHB-GHTZIAJQSA-N 0 1 393.491 3.060 20 0 GGADMN Cc1cccnc1[C@@H](N[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)C(C)C ZINC000120911470 1413945350 /nfs/dbraw/zinc/94/53/50/1413945350.db2.gz CHDPZURRCIVEFD-YJBOKZPZSA-N 0 1 389.521 3.107 20 0 GGADMN Cc1cccnc1[C@H](N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)C(C)C ZINC000120911630 1413945471 /nfs/dbraw/zinc/94/54/71/1413945471.db2.gz CHDPZURRCIVEFD-CRAIPNDOSA-N 0 1 389.521 3.107 20 0 GGADMN CCC[C@@H]1CCCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 ZINC000120914300 1413946672 /nfs/dbraw/zinc/94/66/72/1413946672.db2.gz XGFGLIDEUCNOKX-MRXNPFEDSA-N 0 1 392.569 3.319 20 0 GGADMN CCc1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1CC ZINC000120920517 1413948574 /nfs/dbraw/zinc/94/85/74/1413948574.db2.gz JEDVOYLLSUYNDD-KRWDZBQOSA-N 0 1 395.507 3.152 20 0 GGADMN Cc1c(C(=O)Nc2nc(C(C)C)n[nH]2)cnn1-c1ccc(Br)cc1 ZINC000120929594 1413951588 /nfs/dbraw/zinc/95/15/88/1413951588.db2.gz LPTLPDIOPUVPEU-UHFFFAOYSA-N 0 1 389.257 3.437 20 0 GGADMN Cc1c(C(=O)Nc2n[nH]c(C(C)C)n2)cnn1-c1ccc(Br)cc1 ZINC000120929594 1413951589 /nfs/dbraw/zinc/95/15/89/1413951589.db2.gz LPTLPDIOPUVPEU-UHFFFAOYSA-N 0 1 389.257 3.437 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)C[C@@H]1C ZINC000120929645 1413951640 /nfs/dbraw/zinc/95/16/40/1413951640.db2.gz OUEHSUHOIOCCQP-HDICACEKSA-N 0 1 385.508 3.150 20 0 GGADMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nc(C(C)C)n[nH]3)c12 ZINC000120935891 1413952629 /nfs/dbraw/zinc/95/26/29/1413952629.db2.gz KNSLZQGTAYVMKA-UHFFFAOYSA-N 0 1 375.436 3.438 20 0 GGADMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3n[nH]c(C(C)C)n3)c12 ZINC000120935891 1413952632 /nfs/dbraw/zinc/95/26/32/1413952632.db2.gz KNSLZQGTAYVMKA-UHFFFAOYSA-N 0 1 375.436 3.438 20 0 GGADMN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120937033 1413953253 /nfs/dbraw/zinc/95/32/53/1413953253.db2.gz OXKYNWHPCZGMOW-MJGOQNOKSA-N 0 1 396.491 3.260 20 0 GGADMN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)C)n[nH]2)cc1 ZINC000120947676 1413956777 /nfs/dbraw/zinc/95/67/77/1413956777.db2.gz NALLARATEQFJDZ-UHFFFAOYSA-N 0 1 399.476 3.290 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000120952654 1413958683 /nfs/dbraw/zinc/95/86/83/1413958683.db2.gz NZLWRCDHBQGMDD-CYBMUJFWSA-N 0 1 396.417 3.188 20 0 GGADMN Cc1[nH]c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)c1C(=O)OC(C)C ZINC000120956782 1413959958 /nfs/dbraw/zinc/95/99/58/1413959958.db2.gz GSYKEFIHNGKABR-HNNXBMFYSA-N 0 1 399.495 3.212 20 0 GGADMN C[C@H]1Sc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc2NC1=O ZINC000120973796 1413964494 /nfs/dbraw/zinc/96/44/94/1413964494.db2.gz ABCQKEOTRIBBRH-BXUZGUMPSA-N 0 1 397.504 3.135 20 0 GGADMN CCN(c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1)C(C)C ZINC000120979256 1413966539 /nfs/dbraw/zinc/96/65/39/1413966539.db2.gz CFJGNYDHUNPYEF-KRWDZBQOSA-N 0 1 382.512 3.332 20 0 GGADMN Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](c2ncccc2C)C(C)C)cc1 ZINC000120982254 1413967644 /nfs/dbraw/zinc/96/76/44/1413967644.db2.gz WJSZSCXWRRATJK-NRFANRHFSA-N 0 1 382.508 3.082 20 0 GGADMN CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000121001497 1413973515 /nfs/dbraw/zinc/97/35/15/1413973515.db2.gz WQRGQYCQUCBROL-AWEZNQCLSA-N 0 1 386.500 3.092 20 0 GGADMN CN(c1ccccc1NC(=O)N1CCN(C2CCOCC2)CC1)C1CCCC1 ZINC000121019449 1413978684 /nfs/dbraw/zinc/97/86/84/1413978684.db2.gz AMOFQJOUMOELIA-UHFFFAOYSA-N 0 1 386.540 3.394 20 0 GGADMN Cc1onc(-c2ccncc2)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121021361 1413979105 /nfs/dbraw/zinc/97/91/05/1413979105.db2.gz FPDVNHBSJHGNFS-HNNXBMFYSA-N 0 1 378.436 3.060 20 0 GGADMN CCn1c(=O)c2ccc(-c3nc(COc4ccc(F)cc4)no3)cc2[nH]c1=S ZINC000121026049 1413981029 /nfs/dbraw/zinc/98/10/29/1413981029.db2.gz UTFFSZVCJXXUKR-UHFFFAOYSA-N 0 1 398.419 3.473 20 0 GGADMN CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H](c3n[nH]c(C4CC4)n3)C1)CO2 ZINC000121037257 1413985236 /nfs/dbraw/zinc/98/52/36/1413985236.db2.gz FKZDDKFHAFBHAN-WBVHZDCISA-N 0 1 396.491 3.038 20 0 GGADMN COc1cc(CN2CCN(CCC(=O)Nc3ccccc3C)CC2)cc(OC)c1 ZINC000177500285 1428771271 /nfs/dbraw/zinc/77/12/71/1428771271.db2.gz YTBFYOLVWXTPGA-UHFFFAOYSA-N 0 1 397.519 3.159 20 0 GGADMN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121054935 1413990407 /nfs/dbraw/zinc/99/04/07/1413990407.db2.gz KXUYCEWTEWPXLF-DZGCQCFKSA-N 0 1 386.883 3.293 20 0 GGADMN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000121055273 1413991004 /nfs/dbraw/zinc/99/10/04/1413991004.db2.gz KXUYCEWTEWPXLF-UKRRQHHQSA-N 0 1 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COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3Cn3cncn3)[nH]2)c1 ZINC000121623454 1414204210 /nfs/dbraw/zinc/20/42/10/1414204210.db2.gz VZCYHXIZXJZTRL-UHFFFAOYSA-N 0 1 388.431 3.286 20 0 GGADMN CN(CCNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000121635512 1414207856 /nfs/dbraw/zinc/20/78/56/1414207856.db2.gz IWFNIDRNZYEUPP-UHFFFAOYSA-N 0 1 384.499 3.226 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)ccc1S(C)(=O)=O ZINC000121655359 1414213562 /nfs/dbraw/zinc/21/35/62/1414213562.db2.gz SKYUIGDMDPQVDP-UONOGXRCSA-N 0 1 390.505 3.469 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)ccc1S(C)(=O)=O ZINC000121655026 1414213694 /nfs/dbraw/zinc/21/36/94/1414213694.db2.gz SKYUIGDMDPQVDP-KBPBESRZSA-N 0 1 390.505 3.469 20 0 GGADMN CCC[C@@H]1CN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CCN1CCOC ZINC000121666114 1414216873 /nfs/dbraw/zinc/21/68/73/1414216873.db2.gz CPXDARGRNGSVPB-FXAWDEMLSA-N 0 1 395.975 3.292 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H]2CCCc3ccccc32)CC1 ZINC000121679381 1414220936 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O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccccc1N1CCCC1 ZINC000121708933 1414231491 /nfs/dbraw/zinc/23/14/91/1414231491.db2.gz BAAOLBYTVPZKPG-UHFFFAOYSA-N 0 1 380.473 3.298 20 0 GGADMN CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C1CC1 ZINC000121710913 1414232167 /nfs/dbraw/zinc/23/21/67/1414232167.db2.gz UJENCCKJTRKURV-UHFFFAOYSA-N 0 1 394.880 3.471 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000177554454 1428791308 /nfs/dbraw/zinc/79/13/08/1428791308.db2.gz VCTKRXCVJKPMDC-JKSUJKDBSA-N 0 1 389.525 3.344 20 0 GGADMN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000177554454 1428791316 /nfs/dbraw/zinc/79/13/16/1428791316.db2.gz VCTKRXCVJKPMDC-JKSUJKDBSA-N 0 1 389.525 3.344 20 0 GGADMN CCC[C@H]1CN([C@@H](C)c2nc(Cc3ccc(F)cc3)no2)CCN1CCOC ZINC000121716740 1414234430 /nfs/dbraw/zinc/23/44/30/1414234430.db2.gz KLKQZQOVYMOMDV-LPHOPBHVSA-N 0 1 390.503 3.293 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CC[C@@H](OCC(C)C)C2)N2CCCC2)cc1 ZINC000177553750 1428791458 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3.205 20 0 GGADMN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000121749803 1414245488 /nfs/dbraw/zinc/24/54/88/1414245488.db2.gz UGQBBDDEPCAPBJ-UHFFFAOYSA-N 0 1 382.917 3.481 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121752633 1414246940 /nfs/dbraw/zinc/24/69/40/1414246940.db2.gz LBTWQFJODUSBIX-OALUTQOASA-N 0 1 386.492 3.273 20 0 GGADMN C[C@@H](O)[C@H]1CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000121763977 1414249498 /nfs/dbraw/zinc/24/94/98/1414249498.db2.gz FENWCCUCGHCCNV-AEFFLSMTSA-N 0 1 393.959 3.354 20 0 GGADMN C[C@H](O)[C@H]1CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000121763825 1414249652 /nfs/dbraw/zinc/24/96/52/1414249652.db2.gz FENWCCUCGHCCNV-WMZOPIPTSA-N 0 1 393.959 3.354 20 0 GGADMN Cc1c(CCC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cnn1C ZINC000121768600 1414250760 /nfs/dbraw/zinc/25/07/60/1414250760.db2.gz PXXJEFBYFPPMMJ-UHFFFAOYSA-N 0 1 398.488 3.101 20 0 GGADMN CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(SC)cc2)CCN1CCOC ZINC000121789399 1414257568 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GGADMN CCC[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)CCN1CCOC ZINC000121834396 1414273099 /nfs/dbraw/zinc/27/30/99/1414273099.db2.gz CCTAJGSOFVWLAY-KRWDZBQOSA-N 0 1 378.904 3.323 20 0 GGADMN COc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1OC(F)F ZINC000121838167 1414274182 /nfs/dbraw/zinc/27/41/82/1414274182.db2.gz JAEBUIFEAIGZCP-UHFFFAOYSA-N 0 1 382.382 3.427 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000121840287 1414274936 /nfs/dbraw/zinc/27/49/36/1414274936.db2.gz NDUXPQOXDBNYSP-UHFFFAOYSA-N 0 1 385.418 3.033 20 0 GGADMN CCC[C@@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000121844006 1414276144 /nfs/dbraw/zinc/27/61/44/1414276144.db2.gz TYICHJCMAFQVOS-QGZVFWFLSA-N 0 1 387.446 3.077 20 0 GGADMN O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1)NC(=O)NC1CCCCC1 ZINC000121845632 1414276786 /nfs/dbraw/zinc/27/67/86/1414276786.db2.gz GNFMRWZWGLFPTM-QZTJIDSGSA-N 0 1 391.512 3.106 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CCN1CCOC ZINC000121845888 1414276820 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20 0 GGADMN O=c1cc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)occ1O ZINC000123796457 1414825881 /nfs/dbraw/zinc/82/58/81/1414825881.db2.gz RBCSOLDGRMPCRH-UHFFFAOYSA-N 0 1 382.382 3.072 20 0 GGADMN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000123800529 1414826178 /nfs/dbraw/zinc/82/61/78/1414826178.db2.gz TVCUZGWAQCXNGS-GFCCVEGCSA-N 0 1 383.839 3.249 20 0 GGADMN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000123800293 1414826249 /nfs/dbraw/zinc/82/62/49/1414826249.db2.gz TVCUZGWAQCXNGS-LBPRGKRZSA-N 0 1 383.839 3.249 20 0 GGADMN O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc(F)cc1O ZINC000123800731 1414826402 /nfs/dbraw/zinc/82/64/02/1414826402.db2.gz TYODAJAQUYMLJL-UHFFFAOYSA-N 0 1 377.375 3.382 20 0 GGADMN C[C@H](c1ccccc1)N(CC(N)=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123802189 1414826859 /nfs/dbraw/zinc/82/68/59/1414826859.db2.gz DVLVUBNJCSLNCS-SJORKVTESA-N 0 1 375.513 3.182 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](O)c1ccccc1Cl ZINC000123805852 1414827314 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C[C@H](NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000123847696 1414833611 /nfs/dbraw/zinc/83/36/11/1414833611.db2.gz OOURRMVRKPQJKR-OXJNMPFZSA-N 0 1 389.517 3.499 20 0 GGADMN CC(C)N(C(=O)[C@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)C(C)C ZINC000123858172 1414836678 /nfs/dbraw/zinc/83/66/78/1414836678.db2.gz DQFVRXFTDNWYOO-INIZCTEOSA-N 0 1 392.519 3.446 20 0 GGADMN CC(C)N(C(=O)[C@@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)C(C)C ZINC000123857954 1414836997 /nfs/dbraw/zinc/83/69/97/1414836997.db2.gz DQFVRXFTDNWYOO-MRXNPFEDSA-N 0 1 392.519 3.446 20 0 GGADMN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2ccc(F)cc2O)cc1 ZINC000123861308 1414837351 /nfs/dbraw/zinc/83/73/51/1414837351.db2.gz OCBTVUREVSEMFR-UHFFFAOYSA-N 0 1 379.391 3.133 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000123866551 1414838349 /nfs/dbraw/zinc/83/83/49/1414838349.db2.gz ACICFXFYXZSTBI-IBGZPJMESA-N 0 1 393.409 3.423 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000123866745 1414838394 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3.005 20 0 GGADMN CC(=O)NCCCCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123929973 1414851588 /nfs/dbraw/zinc/85/15/88/1414851588.db2.gz QNQHMRFVSIJXNL-OXQOHEQNSA-N 0 1 397.922 3.285 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000123937399 1414853186 /nfs/dbraw/zinc/85/31/86/1414853186.db2.gz ONNVTZGYSCJQPK-UHFFFAOYSA-N 0 1 392.864 3.098 20 0 GGADMN CN1CC[C@@H](CNC(=O)CCNC(=O)C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123938451 1414853681 /nfs/dbraw/zinc/85/36/81/1414853681.db2.gz BPMCQPNCZQIKGJ-KBXCAEBGSA-N 0 1 397.922 3.141 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCC1([C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000123945036 1414854801 /nfs/dbraw/zinc/85/48/01/1414854801.db2.gz NFMBRDHERNMZRT-ICSRJNTNSA-N 0 1 385.508 3.476 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCC1([C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000123944635 1414854994 /nfs/dbraw/zinc/85/49/94/1414854994.db2.gz NFMBRDHERNMZRT-AZUAARDMSA-N 0 1 385.508 3.476 20 0 GGADMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cnc(-c2ncccn2)s1 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1 379.445 3.233 20 0 GGADMN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000123994656 1414865187 /nfs/dbraw/zinc/86/51/87/1414865187.db2.gz QMOGHZBZZKAABH-OAQYLSRUSA-N 0 1 388.471 3.127 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000124000704 1414866246 /nfs/dbraw/zinc/86/62/46/1414866246.db2.gz XLKVFEYTDLOFAO-NRFANRHFSA-N 0 1 395.503 3.367 20 0 GGADMN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000124002305 1414866793 /nfs/dbraw/zinc/86/67/93/1414866793.db2.gz WGDDOVJJXHKCKK-KRWDZBQOSA-N 0 1 389.858 3.371 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CCCC3)cn2)CC1 ZINC000124005450 1414867420 /nfs/dbraw/zinc/86/74/20/1414867420.db2.gz SHCYLRIFDIMFJW-UHFFFAOYSA-N 0 1 396.510 3.101 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1 ZINC000124008694 1414867751 /nfs/dbraw/zinc/86/77/51/1414867751.db2.gz CWBBTOOLZMRBCA-UHFFFAOYSA-N 0 1 392.864 3.493 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nc(C2CCCC2)no1 ZINC000124011297 1414868598 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CC[C@H](C(=O)Nc1ccc(OC)c(OCc2cn3ccccc3n2)c1)N(C)C ZINC000124890955 1415067677 /nfs/dbraw/zinc/06/76/77/1415067677.db2.gz STQLREAYVKBXMN-QGZVFWFLSA-N 0 1 382.464 3.201 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccncc2F)CC1 ZINC000124889810 1415067851 /nfs/dbraw/zinc/06/78/51/1415067851.db2.gz FZXHDXATYMPEFB-CQSZACIVSA-N 0 1 389.450 3.384 20 0 GGADMN Cc1cccc([C@H](NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c2ccccn2)c1 ZINC000124912438 1415071339 /nfs/dbraw/zinc/07/13/39/1415071339.db2.gz HAAKQXNKLDEPCI-KNKQGSTJSA-N 0 1 396.535 3.278 20 0 GGADMN COc1cc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc(OC)c1OCC(N)=O ZINC000124942253 1415078056 /nfs/dbraw/zinc/07/80/56/1415078056.db2.gz CPQHWRGQIVLHCN-LBPRGKRZSA-N 0 1 394.418 3.039 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccccc4n3C)n[nH]2)cc1 ZINC000124956695 1415081070 /nfs/dbraw/zinc/08/10/70/1415081070.db2.gz OPHYBGNFLIYBMD-UHFFFAOYSA-N 0 1 375.432 3.244 20 0 GGADMN COc1cccc(NC2CCN(Cc3cnc(N4CCOCC4)s3)CC2)c1 ZINC000124960672 1415081936 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GGADMN CCc1cccc2c(C3CCN(CC(=O)N(C)Cc4cnn(C)c4)CC3)c[nH]c21 ZINC000124995406 1415088651 /nfs/dbraw/zinc/08/86/51/1415088651.db2.gz KBTKGIDHHIUDHA-UHFFFAOYSA-N 0 1 393.535 3.302 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)CNC(=O)c2ccc(F)c(F)c2)[nH]1 ZINC000125003656 1415090065 /nfs/dbraw/zinc/09/00/65/1415090065.db2.gz NICODOPESPWNFU-UHFFFAOYSA-N 0 1 399.401 3.242 20 0 GGADMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000177788951 1428858901 /nfs/dbraw/zinc/85/89/01/1428858901.db2.gz OVIMVSVJAHJKBB-CABCVRRESA-N 0 1 385.489 3.238 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2nnc(-c3ccccc3)s2)CCN1CCOC ZINC000125044970 1415098765 /nfs/dbraw/zinc/09/87/65/1415098765.db2.gz GCCZYFGDYXBFRY-INIZCTEOSA-N 0 1 389.525 3.170 20 0 GGADMN COc1cccc([C@H](CNC(=O)CSCc2cscn2)N2CCCC2)c1 ZINC000125075990 1415104608 /nfs/dbraw/zinc/10/46/08/1415104608.db2.gz VXGDRPQMCWHKEM-SFHVURJKSA-N 0 1 391.562 3.338 20 0 GGADMN O=C(NCc1cccc2ccccc21)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000125089501 1415107060 /nfs/dbraw/zinc/10/70/60/1415107060.db2.gz TXBPGGWLSAASLF-JOCHJYFZSA-N 0 1 389.499 3.058 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccco1 ZINC000125157731 1415120801 /nfs/dbraw/zinc/12/08/01/1415120801.db2.gz VMJQPLIBADZOKH-PXNSSMCTSA-N 0 1 377.460 3.009 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)CCCNC(=O)OC(C)(C)C ZINC000125167096 1415122389 /nfs/dbraw/zinc/12/23/89/1415122389.db2.gz QSJLFRYFFVXNFH-MRXNPFEDSA-N 0 1 395.569 3.431 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3C)N2CCCC2)o1 ZINC000125172265 1415123880 /nfs/dbraw/zinc/12/38/80/1415123880.db2.gz DJTIMZOPFDRBFX-IBGZPJMESA-N 0 1 381.476 3.064 20 0 GGADMN CCOc1ccc(N(C)C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000125198142 1415128863 /nfs/dbraw/zinc/12/88/63/1415128863.db2.gz LUEPRHONYLCGER-UHFFFAOYSA-N 0 1 383.473 3.137 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccncc3F)c(C(F)(F)F)c2)CC1 ZINC000125205684 1415129849 /nfs/dbraw/zinc/12/98/49/1415129849.db2.gz ISJAEJBXZXHVRU-UHFFFAOYSA-N 0 1 382.361 3.244 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCCCSCC(C)C)n2)cc1 ZINC000125208824 1415130679 /nfs/dbraw/zinc/13/06/79/1415130679.db2.gz PSHDSOJZKOIGHZ-UHFFFAOYSA-N 0 1 377.514 3.059 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCCCSCC(C)C)n[nH]2)cc1 ZINC000125208824 1415130685 /nfs/dbraw/zinc/13/06/85/1415130685.db2.gz PSHDSOJZKOIGHZ-UHFFFAOYSA-N 0 1 377.514 3.059 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@H]1CN(CC(C)C)CCO1)CCC2 ZINC000177835467 1428868715 /nfs/dbraw/zinc/86/87/15/1428868715.db2.gz LZSSRTHFMOTNEX-RDJZCZTQSA-N 0 1 394.585 3.081 20 0 GGADMN C[C@@H](NC(=O)CN(C)CCCNC(=O)OC(C)(C)C)c1ccccc1Cl ZINC000125254945 1415143095 /nfs/dbraw/zinc/14/30/95/1415143095.db2.gz VJUQHAOGKCXWOP-CQSZACIVSA-N 0 1 383.920 3.364 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736903307 1428863848 /nfs/dbraw/zinc/86/38/48/1428863848.db2.gz ZLLGAIMLUNRTFU-FUHWJXTLSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000736903307 1428863853 /nfs/dbraw/zinc/86/38/53/1428863853.db2.gz ZLLGAIMLUNRTFU-FUHWJXTLSA-N 0 1 397.866 3.224 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N(C)CCCNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000125260993 1415145724 /nfs/dbraw/zinc/14/57/24/1415145724.db2.gz XFCWLOVRAPIIAD-GJZGRUSLSA-N 0 1 381.492 3.238 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc2cccnc21 ZINC000125261985 1415145834 /nfs/dbraw/zinc/14/58/34/1415145834.db2.gz QQJZWWMRMZOEID-LJQANCHMSA-N 0 1 388.515 3.104 20 0 GGADMN Cc1nn(C)c(C)c1C(=O)OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000125289288 1415153969 /nfs/dbraw/zinc/15/39/69/1415153969.db2.gz CJDDZCUEMVXJPC-HNNXBMFYSA-N 0 1 377.435 3.384 20 0 GGADMN CCSc1cc(Cl)ccc1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000125295242 1415155536 /nfs/dbraw/zinc/15/55/36/1415155536.db2.gz KUCIZJVYWJWEBJ-UHFFFAOYSA-N 0 1 390.896 3.335 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)o1 ZINC000177823145 1428865216 /nfs/dbraw/zinc/86/52/16/1428865216.db2.gz WTUACCHWFQJKLR-CQSZACIVSA-N 0 1 397.410 3.003 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)c1ccccc1 ZINC000177845737 1428871380 /nfs/dbraw/zinc/87/13/80/1428871380.db2.gz DZIROGTUKSBVGC-OAHLLOKOSA-N 0 1 381.436 3.205 20 0 GGADMN COc1ccc(-c2cnc(CN3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)o2)cc1 ZINC000125356499 1415173931 /nfs/dbraw/zinc/17/39/31/1415173931.db2.gz VJRWGJWTHUBAJQ-VQIMIIECSA-N 0 1 381.476 3.326 20 0 GGADMN O=C(NC[C@@H]1CCCS1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000125359466 1415174743 /nfs/dbraw/zinc/17/47/43/1415174743.db2.gz MGLHKUBEDYVWEF-CVEARBPZSA-N 0 1 387.471 3.475 20 0 GGADMN NC(=O)c1ccc(C(=O)OC[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)cc1 ZINC000125357549 1415174952 /nfs/dbraw/zinc/17/49/52/1415174952.db2.gz ARAOSGJWJHVMDK-CQSZACIVSA-N 0 1 388.414 3.133 20 0 GGADMN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000125362688 1415176006 /nfs/dbraw/zinc/17/60/06/1415176006.db2.gz LITOVVFMPPLTRM-CQSZACIVSA-N 0 1 398.488 3.406 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000125374521 1415179309 /nfs/dbraw/zinc/17/93/09/1415179309.db2.gz SXZWVJWQKVVLQN-WMZOPIPTSA-N 0 1 391.581 3.212 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000125377720 1415180509 /nfs/dbraw/zinc/18/05/09/1415180509.db2.gz BZAINIRFSHTKDC-APWZRJJASA-N 0 1 375.513 3.041 20 0 GGADMN Oc1cccc(CN2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000125385049 1415183186 /nfs/dbraw/zinc/18/31/86/1415183186.db2.gz ZRWBRAXIBMSIMO-FQEVSTJZSA-N 0 1 394.437 3.132 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000125397194 1415187332 /nfs/dbraw/zinc/18/73/32/1415187332.db2.gz YJDVIANZTISDPZ-QWHCGFSZSA-N 0 1 389.402 3.312 20 0 GGADMN COC(=O)c1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000125401158 1415187581 /nfs/dbraw/zinc/18/75/81/1415187581.db2.gz XVKBIMKFVSEYBR-UHFFFAOYSA-N 0 1 390.867 3.362 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(F)c(F)cc1F ZINC000125398911 1415187918 /nfs/dbraw/zinc/18/79/18/1415187918.db2.gz NYCABNZAXHVVBL-UHFFFAOYSA-N 0 1 377.410 3.046 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1cccc(F)c1 ZINC000125423327 1415194072 /nfs/dbraw/zinc/19/40/72/1415194072.db2.gz VYXSKHBMLOVYQL-MRXNPFEDSA-N 0 1 388.468 3.294 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000125426237 1415195126 /nfs/dbraw/zinc/19/51/26/1415195126.db2.gz IFTZCKGNTJTKTI-HNNXBMFYSA-N 0 1 386.477 3.282 20 0 GGADMN COc1ccc(OC)c(CN(CCO)C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000125430197 1415195689 /nfs/dbraw/zinc/19/56/89/1415195689.db2.gz MKWMLVMGVFTYHA-UHFFFAOYSA-N 0 1 395.459 3.037 20 0 GGADMN OCC1(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)COC1 ZINC000125428441 1415195880 /nfs/dbraw/zinc/19/58/80/1415195880.db2.gz CAVCAMZDSXPLNA-OAQYLSRUSA-N 0 1 386.923 3.056 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(Cc3ccncc3)CC2)C12CCC2 ZINC000177854007 1428873621 /nfs/dbraw/zinc/87/36/21/1428873621.db2.gz XXUPAOWKZQJXHY-VQTJNVASSA-N 0 1 386.540 3.035 20 0 GGADMN Cc1noc(CCCC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000125463341 1415206370 /nfs/dbraw/zinc/20/63/70/1415206370.db2.gz MYMOJGDXJHETBA-AUUYWEPGSA-N 0 1 394.878 3.302 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)N(CCC(N)=O)c3cccc(C)c3)[nH]2)c1 ZINC000125464656 1415207299 /nfs/dbraw/zinc/20/72/99/1415207299.db2.gz NEQBNWCTMNPIEG-UHFFFAOYSA-N 0 1 392.459 3.224 20 0 GGADMN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000125491612 1415213315 /nfs/dbraw/zinc/21/33/15/1415213315.db2.gz XCIJMXCJZKDHLX-CQSZACIVSA-N 0 1 396.466 3.277 20 0 GGADMN C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000125512094 1415217277 /nfs/dbraw/zinc/21/72/77/1415217277.db2.gz BZMHYGVCBNTPOF-MRXNPFEDSA-N 0 1 395.478 3.231 20 0 GGADMN C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000177868500 1428878214 /nfs/dbraw/zinc/87/82/14/1428878214.db2.gz PGNNORVSCQKRRN-UONOGXRCSA-N 0 1 385.430 3.211 20 0 GGADMN OCCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCCc2ccccc21 ZINC000826509649 1428878242 /nfs/dbraw/zinc/87/82/42/1428878242.db2.gz CFDRMUVOKGAGSV-IBGZPJMESA-N 0 1 381.455 3.268 20 0 GGADMN OCCC[N@H+](Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCCc2ccccc21 ZINC000826509649 1428878246 /nfs/dbraw/zinc/87/82/46/1428878246.db2.gz CFDRMUVOKGAGSV-IBGZPJMESA-N 0 1 381.455 3.268 20 0 GGADMN OCCC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCCc2ccccc21 ZINC000826509649 1428878249 /nfs/dbraw/zinc/87/82/49/1428878249.db2.gz CFDRMUVOKGAGSV-IBGZPJMESA-N 0 1 381.455 3.268 20 0 GGADMN CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000125557526 1415225730 /nfs/dbraw/zinc/22/57/30/1415225730.db2.gz STPZUIXOPQUEPL-LJQANCHMSA-N 0 1 399.466 3.116 20 0 GGADMN O=C(Nc1cnc2ccccc2c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000125558562 1415226356 /nfs/dbraw/zinc/22/63/56/1415226356.db2.gz COYDWGJZPQUDJQ-NRFANRHFSA-N 0 1 388.471 3.127 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000177842199 1428870424 /nfs/dbraw/zinc/87/04/24/1428870424.db2.gz NTEGQQNXGNOFEK-QGZVFWFLSA-N 0 1 381.436 3.032 20 0 GGADMN CC(C)(CNC(=O)N1CCN(C2CCOCC2)CC1)Cc1cccc(Cl)c1 ZINC000125582643 1415231416 /nfs/dbraw/zinc/23/14/16/1415231416.db2.gz JXBRDCBBUDXSEP-UHFFFAOYSA-N 0 1 393.959 3.415 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1C(F)(F)F ZINC000125624847 1415240443 /nfs/dbraw/zinc/24/04/43/1415240443.db2.gz VKQORFPKNQGXCG-QGZVFWFLSA-N 0 1 386.462 3.407 20 0 GGADMN CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000177879578 1428881160 /nfs/dbraw/zinc/88/11/60/1428881160.db2.gz BZJJIOYWWXOCMI-INIZCTEOSA-N 0 1 388.533 3.471 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1ccc2c3c(cccc31)CC2)N1CCN(C)CC1 ZINC000125643668 1415244627 /nfs/dbraw/zinc/24/46/27/1415244627.db2.gz UXZHBTWNHQBXPM-OAQYLSRUSA-N 0 1 380.536 3.332 20 0 GGADMN CC(C)N(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000125676016 1415252054 /nfs/dbraw/zinc/25/20/54/1415252054.db2.gz GZFVWJQKNRTEMI-UHFFFAOYSA-N 0 1 395.912 3.420 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1)Nc1ccccc1 ZINC000125676171 1415252134 /nfs/dbraw/zinc/25/21/34/1415252134.db2.gz ZXOMLHMYXHTCFR-PMACEKPBSA-N 0 1 383.492 3.103 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177885710 1428883243 /nfs/dbraw/zinc/88/32/43/1428883243.db2.gz XIYZMKJDRWTSPB-KXBFYZLASA-N 0 1 380.492 3.257 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177885680 1428883305 /nfs/dbraw/zinc/88/33/05/1428883305.db2.gz XIYZMKJDRWTSPB-DNVCBOLYSA-N 0 1 380.492 3.257 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc2ncccc21 ZINC000125736390 1415265669 /nfs/dbraw/zinc/26/56/69/1415265669.db2.gz SUPUNBAYMBTFQB-GJZGRUSLSA-N 0 1 397.500 3.316 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CCC(=O)NC1CCCC1 ZINC000125738582 1415266474 /nfs/dbraw/zinc/26/64/74/1415266474.db2.gz IUYUJICSLGDSON-UHFFFAOYSA-N 0 1 389.565 3.321 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000177898472 1428886560 /nfs/dbraw/zinc/88/65/60/1428886560.db2.gz PEVQCZNXBUYOLP-UHFFFAOYSA-N 0 1 380.423 3.270 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C)C1CCC(CO)CC1)N1CCCC1 ZINC000125748228 1415269724 /nfs/dbraw/zinc/26/97/24/1415269724.db2.gz JQYUHYFFIFHUMS-AFMYVXGZSA-N 0 1 389.540 3.025 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000125754707 1415270785 /nfs/dbraw/zinc/27/07/85/1415270785.db2.gz FEEVPHKAHIJWMW-RTWAWAEBSA-N 0 1 387.499 3.411 20 0 GGADMN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc(Cl)c1O ZINC000177903135 1428887645 /nfs/dbraw/zinc/88/76/45/1428887645.db2.gz HHAJJEKTHVJZKQ-UHFFFAOYSA-N 0 1 387.867 3.113 20 0 GGADMN COc1cccc([C@H](CNC(=O)N(C)C2CCC(CO)CC2)N2CCCC2)c1 ZINC000125772336 1415276545 /nfs/dbraw/zinc/27/65/45/1415276545.db2.gz ZXDXISPWBLXEDO-XTXLOEGASA-N 0 1 389.540 3.025 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000125774559 1415277501 /nfs/dbraw/zinc/27/75/01/1415277501.db2.gz JQIOWTCHNHMEOT-SFHVURJKSA-N 0 1 380.508 3.008 20 0 GGADMN O=C(CN1CCC(OCCc2ccccc2)CC1)NCCc1ccc(F)cc1 ZINC000125778193 1415278729 /nfs/dbraw/zinc/27/87/29/1415278729.db2.gz URVSKNCACDGLMB-UHFFFAOYSA-N 0 1 384.495 3.208 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000177908044 1428888816 /nfs/dbraw/zinc/88/88/16/1428888816.db2.gz BBAIMSOHDAAXGQ-UHFFFAOYSA-N 0 1 387.487 3.241 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)NC[C@H]3CCCN3Cc3ccccc3)ccc2[nH]1 ZINC000125789476 1415281826 /nfs/dbraw/zinc/28/18/26/1415281826.db2.gz UXPMSRJTXBXWHU-HXUWFJFHSA-N 0 1 390.487 3.196 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cnn(Cc2ccccc2)c1 ZINC000125795055 1415282651 /nfs/dbraw/zinc/28/26/51/1415282651.db2.gz GYODCBMYCYFVSA-IBGZPJMESA-N 0 1 379.464 3.483 20 0 GGADMN CCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)[nH]1 ZINC000125793934 1415282860 /nfs/dbraw/zinc/28/28/60/1415282860.db2.gz CWYSPNWREYEXIX-OAHLLOKOSA-N 0 1 377.448 3.011 20 0 GGADMN CCc1n[nH]c(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)n1 ZINC000125793934 1415282865 /nfs/dbraw/zinc/28/28/65/1415282865.db2.gz CWYSPNWREYEXIX-OAHLLOKOSA-N 0 1 377.448 3.011 20 0 GGADMN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCCCC1)C2 ZINC000738424649 1428889838 /nfs/dbraw/zinc/88/98/38/1428889838.db2.gz HSXKDWBAJVAXMP-BEFAXECRSA-N 0 1 392.511 3.016 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2(C)CCC2)c1 ZINC000125799217 1415284475 /nfs/dbraw/zinc/28/44/75/1415284475.db2.gz KEOSWHDYNIVOBO-UHFFFAOYSA-N 0 1 388.489 3.477 20 0 GGADMN CCc1nc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)n[nH]1 ZINC000125803746 1415285700 /nfs/dbraw/zinc/28/57/00/1415285700.db2.gz RLPMDHGHRGNLKZ-UHFFFAOYSA-N 0 1 376.420 3.155 20 0 GGADMN CCc1n[nH]c(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)n1 ZINC000125803746 1415285708 /nfs/dbraw/zinc/28/57/08/1415285708.db2.gz RLPMDHGHRGNLKZ-UHFFFAOYSA-N 0 1 376.420 3.155 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000125811034 1415286949 /nfs/dbraw/zinc/28/69/49/1415286949.db2.gz GTZRKTWQXPBCKJ-HNNXBMFYSA-N 0 1 384.461 3.185 20 0 GGADMN Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000125823272 1415290278 /nfs/dbraw/zinc/29/02/78/1415290278.db2.gz DQQPFLAYFBVZSM-UHFFFAOYSA-N 0 1 388.460 3.218 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(C(=O)c3ccccc3)CC2)c1C ZINC000125824698 1415290723 /nfs/dbraw/zinc/29/07/23/1415290723.db2.gz XRGFPWBFEYWJJL-JOCHJYFZSA-N 0 1 396.531 3.200 20 0 GGADMN Cn1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(-c2cccs2)n1 ZINC000826360691 1428891130 /nfs/dbraw/zinc/89/11/30/1428891130.db2.gz UMOZDXRGWXTFGY-UHFFFAOYSA-N 0 1 391.504 3.493 20 0 GGADMN Cc1cccc(C(=O)N2CCCN(C[C@@H](O)COc3c(C)cccc3C)CC2)c1 ZINC000125827339 1415291467 /nfs/dbraw/zinc/29/14/67/1415291467.db2.gz JDENRYZXQLUIRX-JOCHJYFZSA-N 0 1 396.531 3.200 20 0 GGADMN Cc1cccc(C(=O)N2CCCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)c1 ZINC000125829301 1415291773 /nfs/dbraw/zinc/29/17/73/1415291773.db2.gz KKVLKBPLKSYQRD-JOCHJYFZSA-N 0 1 396.531 3.200 20 0 GGADMN CCOC(=O)N1CCCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000177940945 1428896404 /nfs/dbraw/zinc/89/64/04/1428896404.db2.gz DETDJFWQNUKNNA-UHFFFAOYSA-N 0 1 387.402 3.198 20 0 GGADMN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cccc2c[nH]nc21 ZINC000125877057 1415302585 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CN(C)[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)c1cccs1 ZINC000125915492 1415311660 /nfs/dbraw/zinc/31/16/60/1415311660.db2.gz NVBQVYUBDSJZMG-ROUUACIJSA-N 0 1 385.533 3.162 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000125919437 1415312982 /nfs/dbraw/zinc/31/29/82/1415312982.db2.gz XHBMHLUKTNIWLG-PMACEKPBSA-N 0 1 395.503 3.228 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C(=O)N(C)C ZINC000177950397 1428898718 /nfs/dbraw/zinc/89/87/18/1428898718.db2.gz ARLIIFLQAVVTOO-IBGZPJMESA-N 0 1 386.471 3.260 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000125961691 1415323315 /nfs/dbraw/zinc/32/33/15/1415323315.db2.gz RARWVZFCNDPADR-IFMALSPDSA-N 0 1 386.584 3.209 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820667175 1428901137 /nfs/dbraw/zinc/90/11/37/1428901137.db2.gz LKOUFXGWLFNZAT-IFXJQAMLSA-N 0 1 394.454 3.418 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000125970640 1415325757 /nfs/dbraw/zinc/32/57/57/1415325757.db2.gz MOKQASHKECJALD-QFBILLFUSA-N 0 1 393.959 3.497 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)c1 ZINC000125990398 1415331369 /nfs/dbraw/zinc/33/13/69/1415331369.db2.gz FEVQOJIKWCEUNL-UHFFFAOYSA-N 0 1 381.407 3.452 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](C)c2cnn(C)c2C)ccc1S(=O)(=O)C(F)F ZINC000177961238 1428902618 /nfs/dbraw/zinc/90/26/18/1428902618.db2.gz HCHXIEQVNVWJOB-MNOVXSKESA-N 0 1 387.452 3.145 20 0 GGADMN C[C@H](C(=O)Nc1ncccn1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000126054634 1415346108 /nfs/dbraw/zinc/34/61/08/1415346108.db2.gz NWMVXNVTLUDGCV-QGZVFWFLSA-N 0 1 399.498 3.191 20 0 GGADMN Brc1cccc(-c2c[nH]c(CN3CCC4(CC3)OCCO4)n2)c1 ZINC000126058221 1415346882 /nfs/dbraw/zinc/34/68/82/1415346882.db2.gz CUUMLRNAWLNIKE-UHFFFAOYSA-N 0 1 378.270 3.178 20 0 GGADMN COC(=O)CC(C)(C)NCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000177925616 1428893221 /nfs/dbraw/zinc/89/32/21/1428893221.db2.gz BFWHOTLSVIBJES-SFHVURJKSA-N 0 1 397.475 3.197 20 0 GGADMN O=C(Cn1cc(C2CC2)nn1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000177926789 1428893576 /nfs/dbraw/zinc/89/35/76/1428893576.db2.gz CCCMANYQUSMOIY-UHFFFAOYSA-N 0 1 390.422 3.400 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)NC1CCN(Cc2ccccn2)CC1 ZINC000126098807 1415357327 /nfs/dbraw/zinc/35/73/27/1415357327.db2.gz FQCLUTIRDHPYGL-BHDDXSALSA-N 0 1 376.504 3.074 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000126121054 1415362560 /nfs/dbraw/zinc/36/25/60/1415362560.db2.gz SLBLCJIDGMLZQR-UHFFFAOYSA-N 0 1 383.835 3.260 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C(N)=O)c1ccccc1 ZINC000126130474 1415365269 /nfs/dbraw/zinc/36/52/69/1415365269.db2.gz JCFHVGMRNNKORD-PXAZEXFGSA-N 0 1 395.381 3.119 20 0 GGADMN O=C(Nc1cnn(Cc2ccccc2)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000126138440 1415367804 /nfs/dbraw/zinc/36/78/04/1415367804.db2.gz IKHSIWRHLZKRPV-UHFFFAOYSA-N 0 1 390.491 3.113 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)Cn1c(=S)[n-]nc1-c1cccs1)C1CCCCC1 ZINC000126147819 1415369679 /nfs/dbraw/zinc/36/96/79/1415369679.db2.gz OAWINGAARJPZDO-CQSZACIVSA-N 0 1 393.582 3.296 20 0 GGADMN NC(=O)c1csc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000126152343 1415371012 /nfs/dbraw/zinc/37/10/12/1415371012.db2.gz RLJPAEXEXYZJDD-UHFFFAOYSA-N 0 1 386.521 3.274 20 0 GGADMN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCN(CC2CC2)CC1 ZINC000126190847 1415380545 /nfs/dbraw/zinc/38/05/45/1415380545.db2.gz BGGRTMRDHJQRQP-ZIAGYGMSSA-N 0 1 386.565 3.198 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001136497892 1428919554 /nfs/dbraw/zinc/91/95/54/1428919554.db2.gz ZTDUBEIPRUEXBM-UYAOXDASSA-N 0 1 390.491 3.354 20 0 GGADMN CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001136497892 1428919555 /nfs/dbraw/zinc/91/95/55/1428919555.db2.gz ZTDUBEIPRUEXBM-UYAOXDASSA-N 0 1 390.491 3.354 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001136497892 1428919556 /nfs/dbraw/zinc/91/95/56/1428919556.db2.gz ZTDUBEIPRUEXBM-UYAOXDASSA-N 0 1 390.491 3.354 20 0 GGADMN COc1cccc(CNC(=O)[C@H](C)N2CCC(N(C)c3ccccc3)CC2)c1 ZINC000126204694 1415383853 /nfs/dbraw/zinc/38/38/53/1415383853.db2.gz RHFCWXQEFWDPPD-SFHVURJKSA-N 0 1 381.520 3.301 20 0 GGADMN Cc1ccc(-c2csc(NC(=O)CN3CCN(CC4CC4)CC3)n2)cc1C ZINC000126210141 1415384881 /nfs/dbraw/zinc/38/48/81/1415384881.db2.gz ADZAINMAOWYWJC-UHFFFAOYSA-N 0 1 384.549 3.393 20 0 GGADMN Cc1cccc(Cc2cnc(NC(=O)CN3CCN(CC4CC4)CC3)s2)c1 ZINC000126212639 1415385508 /nfs/dbraw/zinc/38/55/08/1415385508.db2.gz UXPNSGBLIFEMLQ-UHFFFAOYSA-N 0 1 384.549 3.008 20 0 GGADMN CC[C@H]1CCCN(CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000126226647 1415388953 /nfs/dbraw/zinc/38/89/53/1415388953.db2.gz OFDMQOBTONXSOJ-SCLBCKFNSA-N 0 1 394.313 3.296 20 0 GGADMN Cc1ccccc1NC(=O)C[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177968298 1428907532 /nfs/dbraw/zinc/90/75/32/1428907532.db2.gz BFGLOHQGYFMCFB-OAHLLOKOSA-N 0 1 394.924 3.429 20 0 GGADMN CCOC(=O)CC1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000126237521 1415391062 /nfs/dbraw/zinc/39/10/62/1415391062.db2.gz BGQGWPKPRZRXCW-SFHVURJKSA-N 0 1 391.512 3.181 20 0 GGADMN COc1ccc(CN2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)cc1F ZINC000126248643 1415393952 /nfs/dbraw/zinc/39/39/52/1415393952.db2.gz BDMZQNHJVXSJTD-UHFFFAOYSA-N 0 1 378.831 3.151 20 0 GGADMN CC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000126250900 1415394670 /nfs/dbraw/zinc/39/46/70/1415394670.db2.gz ANVKJFANZXFJNF-FZKQIMNGSA-N 0 1 394.313 3.296 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@H](c4cccc(F)c4)C3)n[nH]2)c1 ZINC000177974436 1428909321 /nfs/dbraw/zinc/90/93/21/1428909321.db2.gz BRQROHPCSYOCHA-FQEVSTJZSA-N 0 1 381.407 3.438 20 0 GGADMN CCC1(CC)[C@H](N(C)C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@@H]1OC ZINC000177973005 1428909420 /nfs/dbraw/zinc/90/94/20/1428909420.db2.gz GEULXNKCIUCQDT-UXHICEINSA-N 0 1 388.556 3.281 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(Sc2ccccc2)n1 ZINC000177973804 1428909540 /nfs/dbraw/zinc/90/95/40/1428909540.db2.gz DNNZNOXTJNLUAD-GOSISDBHSA-N 0 1 397.544 3.336 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(Sc2ccccc2)n1 ZINC000177973792 1428909543 /nfs/dbraw/zinc/90/95/43/1428909543.db2.gz DNNZNOXTJNLUAD-SFHVURJKSA-N 0 1 397.544 3.336 20 0 GGADMN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000126278916 1415401222 /nfs/dbraw/zinc/40/12/22/1415401222.db2.gz PNRZDNFJOVITAI-UXHICEINSA-N 0 1 399.560 3.425 20 0 GGADMN CC(C)N1CCN(C(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000126294416 1415408651 /nfs/dbraw/zinc/40/86/51/1415408651.db2.gz SSTJTSOMWCSHKT-QGZVFWFLSA-N 0 1 381.561 3.212 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)n[nH]2)cc1OC ZINC000126295500 1415408719 /nfs/dbraw/zinc/40/87/19/1415408719.db2.gz RIUQQCJJIDWQFM-RDTXWAMCSA-N 0 1 395.463 3.014 20 0 GGADMN C[C@H]1CNCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000126299236 1415410755 /nfs/dbraw/zinc/41/07/55/1415410755.db2.gz IFTPQDYPXUSZLA-INIZCTEOSA-N 0 1 378.451 3.041 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)Nc1cccc(NC(C)=O)c1C)N1CCOCC1 ZINC000126335629 1415420294 /nfs/dbraw/zinc/42/02/94/1415420294.db2.gz NUUQHBMMFTYPSQ-HXUWFJFHSA-N 0 1 390.528 3.212 20 0 GGADMN CC(C)COC(=O)N1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000126340637 1415421560 /nfs/dbraw/zinc/42/15/60/1415421560.db2.gz AQFXERCZVVULGT-UHFFFAOYSA-N 0 1 388.443 3.156 20 0 GGADMN CCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1S(=O)(=O)C(C)C ZINC000126340718 1415421625 /nfs/dbraw/zinc/42/16/25/1415421625.db2.gz CCJZPLXETHJVRB-QGZVFWFLSA-N 0 1 380.554 3.253 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccn(Cc2ccccc2)n1 ZINC000126343535 1415422335 /nfs/dbraw/zinc/42/23/35/1415422335.db2.gz CSQPDJDRZKIDSG-SFHVURJKSA-N 0 1 379.464 3.483 20 0 GGADMN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCC(C)(C)S(C)(=O)=O ZINC000126351809 1415424504 /nfs/dbraw/zinc/42/45/04/1415424504.db2.gz JWHNNTYWUKXJMY-UHFFFAOYSA-N 0 1 377.554 3.142 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(NC(C)=O)c2C)N(C)C)c1 ZINC000126359143 1415426162 /nfs/dbraw/zinc/42/61/62/1415426162.db2.gz ZSSTXTBOVVXGRK-HXUWFJFHSA-N 0 1 384.480 3.386 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccsc1 ZINC000126385596 1415432415 /nfs/dbraw/zinc/43/24/15/1415432415.db2.gz QFRPVTYQTFOWAX-IRXDYDNUSA-N 0 1 378.542 3.326 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)CCSC)cc1OC ZINC000126385530 1415432680 /nfs/dbraw/zinc/43/26/80/1415432680.db2.gz MBDKACDZZHKSDG-DOTOQJQBSA-N 0 1 380.554 3.441 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000126428279 1415450115 /nfs/dbraw/zinc/45/01/15/1415450115.db2.gz CBNGTASLJVTUEJ-IBGZPJMESA-N 0 1 396.491 3.361 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@H](O)c2ccccc2Cl)N2CCCC2)o1 ZINC000126434887 1415453054 /nfs/dbraw/zinc/45/30/54/1415453054.db2.gz SCUGQHHYHOUMLJ-MSOLQXFVSA-N 0 1 391.899 3.411 20 0 GGADMN COC(=O)CCn1nc(C)c(CNCc2ccnc(N3CCCCCC3)c2)c1C ZINC000126437420 1415453681 /nfs/dbraw/zinc/45/36/81/1415453681.db2.gz PKBGDCYTHKOZMZ-UHFFFAOYSA-N 0 1 399.539 3.128 20 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Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000126565784 1415493586 /nfs/dbraw/zinc/49/35/86/1415493586.db2.gz LHULBRBKXYZTEJ-UHFFFAOYSA-N 0 1 377.423 3.494 20 0 GGADMN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000126565115 1415493855 /nfs/dbraw/zinc/49/38/55/1415493855.db2.gz IDPASZGJAFCQLK-RTWAWAEBSA-N 0 1 387.499 3.411 20 0 GGADMN c1sc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)cc1-c1nn[n-]n1 ZINC000823738611 1428928136 /nfs/dbraw/zinc/92/81/36/1428928136.db2.gz WLMUJNXYIWKRSO-UHFFFAOYSA-N 0 1 383.506 3.169 20 0 GGADMN C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820418435 1428936566 /nfs/dbraw/zinc/93/65/66/1428936566.db2.gz ARCZGMOLTMXQNI-CQSZACIVSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(CC(C)(C)O)CC1 ZINC000126630279 1415511640 /nfs/dbraw/zinc/51/16/40/1415511640.db2.gz BBHFVBRTSJOTTI-LBPRGKRZSA-N 0 1 399.322 3.493 20 0 GGADMN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000126630932 1415512303 /nfs/dbraw/zinc/51/23/03/1415512303.db2.gz PAMDNYBLJIJSAH-SJORKVTESA-N 0 1 393.528 3.472 20 0 GGADMN CC[C@@H](C(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1)N(C)C ZINC000126634999 1415513098 /nfs/dbraw/zinc/51/30/98/1415513098.db2.gz SGKGQDNIYRVDCF-SFHVURJKSA-N 0 1 388.537 3.158 20 0 GGADMN O=C(c1ccnc(OCC(F)F)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000126638226 1415513870 /nfs/dbraw/zinc/51/38/70/1415513870.db2.gz OIBOFRMVLDCXOA-UHFFFAOYSA-N 0 1 375.419 3.074 20 0 GGADMN COc1cccc(C(=O)NCCN[C@@H](C)c2cc(Cl)c(OC)cc2OC)c1 ZINC000178017727 1428938996 /nfs/dbraw/zinc/93/89/96/1428938996.db2.gz OQGKJHQFRGWYMR-ZDUSSCGKSA-N 0 1 392.883 3.446 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCC(OC2CCCCC2)CC1 ZINC000126639201 1415514165 /nfs/dbraw/zinc/51/41/65/1415514165.db2.gz QBYXDRAFAHIUTQ-UHFFFAOYSA-N 0 1 387.505 3.166 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC000126637269 1415514217 /nfs/dbraw/zinc/51/42/17/1415514217.db2.gz SRWRAEKUSNEIAQ-MRXNPFEDSA-N 0 1 392.475 3.300 20 0 GGADMN Cc1ccc(OCCCC(=O)N2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000126640197 1415514785 /nfs/dbraw/zinc/51/47/85/1415514785.db2.gz HMNBIFOSZWDHIY-GOSISDBHSA-N 0 1 394.943 3.378 20 0 GGADMN COc1ccc2oc([C@H](C)NCCNS(=O)(=O)c3ccccc3)c(C)c2c1 ZINC000178019365 1428939815 /nfs/dbraw/zinc/93/98/15/1428939815.db2.gz OFPQIPXXKHWCAZ-HNNXBMFYSA-N 0 1 388.489 3.379 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3c(C)noc3-c3ccccc3)CC2)c1 ZINC000126693936 1415528115 /nfs/dbraw/zinc/52/81/15/1415528115.db2.gz WRRPBZFKNAPRCJ-UHFFFAOYSA-N 0 1 393.447 3.408 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@](C)(O)C1 ZINC000178024330 1428942085 /nfs/dbraw/zinc/94/20/85/1428942085.db2.gz CSWPWHOOTPECPB-QHCPKHFHSA-N 0 1 382.504 3.071 20 0 GGADMN CCOC(=O)c1cccc(OC[C@@H](O)CNC2(c3nccs3)CCCC2)c1 ZINC000126709311 1415534014 /nfs/dbraw/zinc/53/40/14/1415534014.db2.gz JZELKIYIZDZGBN-INIZCTEOSA-N 0 1 390.505 3.119 20 0 GGADMN CCOC(=O)c1cccc(OC[C@H](O)CNC2(c3nccs3)CCCC2)c1 ZINC000126709069 1415534304 /nfs/dbraw/zinc/53/43/04/1415534304.db2.gz JZELKIYIZDZGBN-MRXNPFEDSA-N 0 1 390.505 3.119 20 0 GGADMN CC[C@H](CO)N1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CC1 ZINC000126717336 1415537258 /nfs/dbraw/zinc/53/72/58/1415537258.db2.gz GVCJLQNVERZHLD-GOSISDBHSA-N 0 1 385.512 3.051 20 0 GGADMN CCOc1ccc(Cl)cc1[C@H](C)NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000178028472 1428943538 /nfs/dbraw/zinc/94/35/38/1428943538.db2.gz ODGNHOFDJTZDJE-ZDUSSCGKSA-N 0 1 392.883 3.462 20 0 GGADMN COc1cc(CN[C@H](C)c2ccccc2OC(F)(F)F)ccc1OCC(N)=O ZINC000178027995 1428943694 /nfs/dbraw/zinc/94/36/94/1428943694.db2.gz OVSVNZDGYLLWGT-GFCCVEGCSA-N 0 1 398.381 3.309 20 0 GGADMN C[C@@H](N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)NC(=O)NC1CC1 ZINC000126728860 1415540828 /nfs/dbraw/zinc/54/08/28/1415540828.db2.gz QXUPCQFSKQIHBO-BFUOFWGJSA-N 0 1 387.430 3.215 20 0 GGADMN CC(=O)Nc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000178029949 1428944991 /nfs/dbraw/zinc/94/49/91/1428944991.db2.gz NWUXAIHKAMCDJK-OAHLLOKOSA-N 0 1 387.505 3.036 20 0 GGADMN CC(C)Oc1cccc(CNCc2ccccc2OCCN2CCOCC2)c1 ZINC000126746896 1415545915 /nfs/dbraw/zinc/54/59/15/1415545915.db2.gz WJLXBWBJAVBFHD-UHFFFAOYSA-N 0 1 384.520 3.475 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)c1 ZINC000126749852 1415547746 /nfs/dbraw/zinc/54/77/46/1415547746.db2.gz FVQLEOFCJBBEKP-UHFFFAOYSA-N 0 1 376.501 3.167 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)c1cccc(F)c1 ZINC000126787014 1415558572 /nfs/dbraw/zinc/55/85/72/1415558572.db2.gz VZWDKUGMUOUZST-GMAHTHKFSA-N 0 1 397.494 3.312 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)c1cccc(F)c1 ZINC000126787242 1415558624 /nfs/dbraw/zinc/55/86/24/1415558624.db2.gz VZWDKUGMUOUZST-GGAORHGYSA-N 0 1 397.494 3.312 20 0 GGADMN CCc1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)[nH]n1 ZINC000126789843 1415559199 /nfs/dbraw/zinc/55/91/99/1415559199.db2.gz WMSCVKPESDPDPZ-UHFFFAOYSA-N 0 1 380.414 3.339 20 0 GGADMN O=C(c1ccc[nH]c1=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000126789621 1415559258 /nfs/dbraw/zinc/55/92/58/1415559258.db2.gz NOPCJCWLXSCGCH-UHFFFAOYSA-N 0 1 379.382 3.154 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126804506 1415564452 /nfs/dbraw/zinc/56/44/52/1415564452.db2.gz MADZPZGCFDODOJ-PMACEKPBSA-N 0 1 393.462 3.048 20 0 GGADMN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000126824310 1415572823 /nfs/dbraw/zinc/57/28/23/1415572823.db2.gz DCWNSJQNGUFQIR-UHFFFAOYSA-N 0 1 396.340 3.148 20 0 GGADMN CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820951266 1428950772 /nfs/dbraw/zinc/95/07/72/1428950772.db2.gz XHZPAVAQPNICDZ-BLVKFPJESA-N 0 1 388.541 3.256 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCO[C@H](c3ccccc3)C2)N(C)C)c1 ZINC000126856282 1415586308 /nfs/dbraw/zinc/58/63/08/1415586308.db2.gz UDZGYFCGWLDDPY-SFTDATJTSA-N 0 1 383.492 3.081 20 0 GGADMN O=S(=O)(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(F)cc(F)c1 ZINC000126864988 1415588832 /nfs/dbraw/zinc/58/88/32/1415588832.db2.gz HSXJJDCCHZGCOY-UHFFFAOYSA-N 0 1 386.383 3.475 20 0 GGADMN CCN(Cc1cccs1)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000126885873 1415595423 /nfs/dbraw/zinc/59/54/23/1415595423.db2.gz OWNAWENGJALQOX-UHFFFAOYSA-N 0 1 386.565 3.097 20 0 GGADMN O=C(NC[C@@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1)c1ccccc1 ZINC000178045838 1428954873 /nfs/dbraw/zinc/95/48/73/1428954873.db2.gz NRFXGXGKYYHQJC-INIZCTEOSA-N 0 1 384.451 3.334 20 0 GGADMN CN(CC1(O)CCCC1)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000126894970 1415598063 /nfs/dbraw/zinc/59/80/63/1415598063.db2.gz UDCWDALCZKBNPI-KRWDZBQOSA-N 0 1 399.457 3.226 20 0 GGADMN CCc1ccc([C@H](C)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)o1 ZINC000178046735 1428955471 /nfs/dbraw/zinc/95/54/71/1428955471.db2.gz GHUNKROXQBBTMQ-MAUKXSAKSA-N 0 1 392.521 3.150 20 0 GGADMN CCc1ccc([C@H](C)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)o1 ZINC000178046716 1428955717 /nfs/dbraw/zinc/95/57/17/1428955717.db2.gz GHUNKROXQBBTMQ-YJBOKZPZSA-N 0 1 392.521 3.150 20 0 GGADMN CCc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)o1 ZINC000178046727 1428955747 /nfs/dbraw/zinc/95/57/47/1428955747.db2.gz GHUNKROXQBBTMQ-CRAIPNDOSA-N 0 1 392.521 3.150 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)c1ccccc1 ZINC000178049525 1428956191 /nfs/dbraw/zinc/95/61/91/1428956191.db2.gz DNTLJMRWBLVFGW-INIZCTEOSA-N 0 1 392.455 3.141 20 0 GGADMN O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)c1ccccc1 ZINC000178049525 1428956197 /nfs/dbraw/zinc/95/61/97/1428956197.db2.gz DNTLJMRWBLVFGW-INIZCTEOSA-N 0 1 392.455 3.141 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826187056 1428956373 /nfs/dbraw/zinc/95/63/73/1428956373.db2.gz XSKTULKBXDHTQL-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000178050205 1428956429 /nfs/dbraw/zinc/95/64/29/1428956429.db2.gz LNHPLRXVRQAWGW-UHFFFAOYSA-N 0 1 384.461 3.491 20 0 GGADMN Cc1ccc(Cl)cc1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000126934103 1415612920 /nfs/dbraw/zinc/61/29/20/1415612920.db2.gz GOGKODDJZTVZNT-UHFFFAOYSA-N 0 1 379.932 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GGADMN CCOc1ccccc1Oc1ccc(CNC(=O)c2[nH]nc3c2CCC3)cn1 ZINC000127258944 1415706213 /nfs/dbraw/zinc/70/62/13/1415706213.db2.gz NACFGBAPBCGATM-UHFFFAOYSA-N 0 1 378.432 3.414 20 0 GGADMN CC(C)CCNC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000127260355 1415707403 /nfs/dbraw/zinc/70/74/03/1415707403.db2.gz WFWAVFUAZKLWOZ-UHFFFAOYSA-N 0 1 377.448 3.240 20 0 GGADMN CC(C)CCNC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000127260355 1415707423 /nfs/dbraw/zinc/70/74/23/1415707423.db2.gz WFWAVFUAZKLWOZ-UHFFFAOYSA-N 0 1 377.448 3.240 20 0 GGADMN COc1ccc(-c2ccc(C(=O)N3CCN(C[C@H]4CCOC4)CC3)c(F)c2)cc1 ZINC000178091835 1428977874 /nfs/dbraw/zinc/97/78/74/1428977874.db2.gz JCEMTNFNNXBQAL-QGZVFWFLSA-N 0 1 398.478 3.296 20 0 GGADMN O=C(c1csc(-c2ccccc2Cl)n1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178091931 1428978034 /nfs/dbraw/zinc/97/80/34/1428978034.db2.gz DWXPBXSBIUDQSK-AWEZNQCLSA-N 0 1 391.924 3.258 20 0 GGADMN Cc1cc(C)cc(NC(=O)C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1 ZINC000127267833 1415709937 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CC(C)(C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000178097783 1428980135 /nfs/dbraw/zinc/98/01/35/1428980135.db2.gz FUNWBBQVNVLHOI-HNNXBMFYSA-N 0 1 384.442 3.164 20 0 GGADMN COc1cc(CN(C)Cc2cccc(F)c2)ccc1OCC(=O)N1CCCC1 ZINC000127287750 1415720886 /nfs/dbraw/zinc/72/08/86/1415720886.db2.gz HVAOGMTWIHKKTM-UHFFFAOYSA-N 0 1 386.467 3.468 20 0 GGADMN O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1cccc2cn[nH]c21 ZINC000127289282 1415720916 /nfs/dbraw/zinc/72/09/16/1415720916.db2.gz WWBROKFKFVQGLL-UHFFFAOYSA-N 0 1 389.459 3.102 20 0 GGADMN C[C@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000178099213 1428980969 /nfs/dbraw/zinc/98/09/69/1428980969.db2.gz NXLJUWUOTQUWJK-HZPDHXFCSA-N 0 1 384.442 3.380 20 0 GGADMN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178100141 1428981067 /nfs/dbraw/zinc/98/10/67/1428981067.db2.gz OSRHHDGUPUVGDB-HXUWFJFHSA-N 0 1 378.516 3.389 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000178099185 1428981150 /nfs/dbraw/zinc/98/11/50/1428981150.db2.gz NXLJUWUOTQUWJK-HOTGVXAUSA-N 0 1 384.442 3.380 20 0 GGADMN Cc1ccc(C)c(SCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000127298553 1415725102 /nfs/dbraw/zinc/72/51/02/1415725102.db2.gz JJYCQVRYGNCXMF-UXHICEINSA-N 0 1 384.545 3.147 20 0 GGADMN COc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000826202340 1428981648 /nfs/dbraw/zinc/98/16/48/1428981648.db2.gz XFMTUARYNNTAFJ-FQEVSTJZSA-N 0 1 390.422 3.289 20 0 GGADMN CCS[C@@H](C)c1noc(CN(C)C(=O)NC[C@@H](c2cccs2)N(C)C)n1 ZINC000178102538 1428982376 /nfs/dbraw/zinc/98/23/76/1428982376.db2.gz FEFHFYABKGMNOW-STQMWFEESA-N 0 1 397.570 3.390 20 0 GGADMN Cc1noc(CCC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000127316551 1415734248 /nfs/dbraw/zinc/73/42/48/1415734248.db2.gz BIZMZENQNXVPCG-UHFFFAOYSA-N 0 1 396.413 3.064 20 0 GGADMN C[C@@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000178104002 1428983202 /nfs/dbraw/zinc/98/32/02/1428983202.db2.gz MLZZFLXWIVFZKO-HOTGVXAUSA-N 0 1 384.442 3.380 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C1(c2cccc(Cl)c2)CC1 ZINC000127322366 1415736140 /nfs/dbraw/zinc/73/61/40/1415736140.db2.gz VVARRPFDWXOMQD-UXHICEINSA-N 0 1 384.907 3.123 20 0 GGADMN COc1ccc([C@@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)N2CCCC2)cc1 ZINC000127324790 1415737883 /nfs/dbraw/zinc/73/78/83/1415737883.db2.gz VYUBRTANYJFTRO-CTNGQTDRSA-N 0 1 384.451 3.091 20 0 GGADMN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@H]4CCOC4)CC3)c21 ZINC000178123547 1428990881 /nfs/dbraw/zinc/99/08/81/1428990881.db2.gz RAFFUKVJBJSOTA-OAHLLOKOSA-N 0 1 398.507 3.018 20 0 GGADMN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178106944 1428984685 /nfs/dbraw/zinc/98/46/85/1428984685.db2.gz XWEJMYHNGMVRMF-KRWDZBQOSA-N 0 1 391.471 3.289 20 0 GGADMN Cc1c2cccc(C)c2oc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127334302 1415742680 /nfs/dbraw/zinc/74/26/80/1415742680.db2.gz HATQNSXNQGRTHN-RTBURBONSA-N 0 1 378.472 3.415 20 0 GGADMN Cc1ccc2[nH]c(C(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cc2c1C ZINC000127361185 1415753045 /nfs/dbraw/zinc/75/30/45/1415753045.db2.gz AEDXYUVHULOSLF-RBUKOAKNSA-N 0 1 377.488 3.150 20 0 GGADMN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178113132 1428987111 /nfs/dbraw/zinc/98/71/11/1428987111.db2.gz BOVYAMMIGYJELM-IBGZPJMESA-N 0 1 398.478 3.199 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(-c2ccoc2)c1 ZINC000127372228 1415756500 /nfs/dbraw/zinc/75/65/00/1415756500.db2.gz UORLIHYKHNBRBP-FGZHOGPDSA-N 0 1 376.456 3.312 20 0 GGADMN Cc1[nH]c2c(cccc2C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1C ZINC000127375840 1415756964 /nfs/dbraw/zinc/75/69/64/1415756964.db2.gz IWFQZWGDLPEQDZ-OALUTQOASA-N 0 1 377.488 3.150 20 0 GGADMN O=C(CCSc1ccccc1F)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127386023 1415762104 /nfs/dbraw/zinc/76/21/04/1415762104.db2.gz AEIRLHIRKIQIAG-MSOLQXFVSA-N 0 1 388.508 3.060 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(S(=O)(=O)N(C)C)o2)C12CCCCC2 ZINC000127389984 1415762868 /nfs/dbraw/zinc/76/28/68/1415762868.db2.gz IWHMONGYXXPCNW-IAGOWNOFSA-N 0 1 384.542 3.090 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC[NH+](C)C)c(C)c1 ZINC000127391970 1415764369 /nfs/dbraw/zinc/76/43/69/1415764369.db2.gz KBEAYXUSRFAECY-UHFFFAOYSA-N 0 1 378.494 3.053 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC[NH+](C)C)cc1C ZINC000127397457 1415765486 /nfs/dbraw/zinc/76/54/86/1415765486.db2.gz NBRGSIJHLYMJCC-UHFFFAOYSA-N 0 1 378.494 3.053 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1OCC ZINC000178120157 1428989931 /nfs/dbraw/zinc/98/99/31/1428989931.db2.gz CUMONNHUUQLMMK-SFHVURJKSA-N 0 1 390.524 3.059 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)C[C@@H]1C ZINC000127399501 1415766388 /nfs/dbraw/zinc/76/63/88/1415766388.db2.gz SERFLDXMKKVXMX-ZENOOKHLSA-N 0 1 391.409 3.180 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1OCC ZINC000178120171 1428990032 /nfs/dbraw/zinc/99/00/32/1428990032.db2.gz CUMONNHUUQLMMK-GOSISDBHSA-N 0 1 390.524 3.059 20 0 GGADMN CCc1ncc(NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)cn1 ZINC000127399968 1415766592 /nfs/dbraw/zinc/76/65/92/1415766592.db2.gz GMKDRCWTOSGQRZ-UHFFFAOYSA-N 0 1 397.504 3.237 20 0 GGADMN Cc1ccnc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826311241 1428991183 /nfs/dbraw/zinc/99/11/83/1428991183.db2.gz YCKCVWHYNPRIFC-CQSZACIVSA-N 0 1 383.887 3.107 20 0 GGADMN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000127409784 1415769400 /nfs/dbraw/zinc/76/94/00/1415769400.db2.gz HFSUTSLJWPPZHR-MRXNPFEDSA-N 0 1 392.912 3.112 20 0 GGADMN CCc1c(NC(=O)NC2CCN(Cc3ccccn3)CC2)cnn1CC(C)C ZINC000127423356 1415773448 /nfs/dbraw/zinc/77/34/48/1415773448.db2.gz LAIJIYGSPQBELJ-UHFFFAOYSA-N 0 1 384.528 3.283 20 0 GGADMN Brc1ccc(-c2ccn(CN3CCC[C@H](C4OCCO4)C3)n2)cc1 ZINC000178134745 1428994189 /nfs/dbraw/zinc/99/41/89/1428994189.db2.gz OQRBMNYLFJQQFH-HNNXBMFYSA-N 0 1 392.297 3.355 20 0 GGADMN C[C@H](CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(F)cc1F ZINC000127454195 1415785361 /nfs/dbraw/zinc/78/53/61/1415785361.db2.gz LCKDBRUOAKMOTR-MNEFBYGVSA-N 0 1 388.458 3.210 20 0 GGADMN COc1cc(F)c([C@H](C)[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1OC ZINC000826180004 1428995727 /nfs/dbraw/zinc/99/57/27/1428995727.db2.gz ONRCSRDFKXURNB-LBPRGKRZSA-N 0 1 383.427 3.363 20 0 GGADMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1cccc(N2CCCC2)c1 ZINC000127471097 1415792142 /nfs/dbraw/zinc/79/21/42/1415792142.db2.gz CPPLQRMNDVKZQV-LLVKDONJSA-N 0 1 380.564 3.397 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820705225 1429004634 /nfs/dbraw/zinc/00/46/34/1429004634.db2.gz SFMKFBPKFDCINV-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820705225 1429004636 /nfs/dbraw/zinc/00/46/36/1429004636.db2.gz SFMKFBPKFDCINV-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820705225 1429004640 /nfs/dbraw/zinc/00/46/40/1429004640.db2.gz SFMKFBPKFDCINV-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN Cc1cc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccn1 ZINC000127482907 1415797601 /nfs/dbraw/zinc/79/76/01/1415797601.db2.gz AWGFVKNOIGAVLS-AWEZNQCLSA-N 0 1 376.342 3.438 20 0 GGADMN CC1(C)CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000127488536 1415800051 /nfs/dbraw/zinc/80/00/51/1415800051.db2.gz FHJBAGDEAULBML-OAQYLSRUSA-N 0 1 392.547 3.246 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCC(C(=O)N2CCCC2)CC1 ZINC000127503931 1415801995 /nfs/dbraw/zinc/80/19/95/1415801995.db2.gz XHLZQWMRNDSNPV-QZTJIDSGSA-N 0 1 383.536 3.077 20 0 GGADMN Cc1cnccc1NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000127528960 1415805284 /nfs/dbraw/zinc/80/52/84/1415805284.db2.gz DWGDTDJXIBHNMO-AWEZNQCLSA-N 0 1 376.342 3.438 20 0 GGADMN O=C(Nc1ccc2scnc2c1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000178145100 1428998934 /nfs/dbraw/zinc/99/89/34/1428998934.db2.gz XDEDBMASVLHCNK-VQIMIIECSA-N 0 1 396.516 3.301 20 0 GGADMN COc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1OCc1ccccc1 ZINC000127584213 1415814148 /nfs/dbraw/zinc/81/41/48/1415814148.db2.gz IXUXOCFMTQVSEC-UHFFFAOYSA-N 0 1 395.503 3.264 20 0 GGADMN CCCCCOc1cc(CN2CCC(N3CCNC3=O)CC2)ccc1OC ZINC000127614256 1415820320 /nfs/dbraw/zinc/82/03/20/1415820320.db2.gz LCPPTSHBXDVZTE-UHFFFAOYSA-N 0 1 375.513 3.254 20 0 GGADMN CCOC(=O)c1sc(N2CCCN(Cc3ccc(OC)cc3)CC2)nc1C ZINC000127621291 1415821237 /nfs/dbraw/zinc/82/12/37/1415821237.db2.gz MRGSTWGXEWBODV-UHFFFAOYSA-N 0 1 389.521 3.349 20 0 GGADMN COc1ccc([C@H](NCC2=CCCOC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000127630332 1415823285 /nfs/dbraw/zinc/82/32/85/1415823285.db2.gz PZZQDSYDNXHDDE-NRFANRHFSA-N 0 1 387.501 3.124 20 0 GGADMN COC(=O)[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c2ccccc21 ZINC000178157802 1429002582 /nfs/dbraw/zinc/00/25/82/1429002582.db2.gz MINLIDMLNPJMHV-INIZCTEOSA-N 0 1 377.400 3.002 20 0 GGADMN COCCN(Cc1ccc(F)cc1Cl)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127657485 1415827637 /nfs/dbraw/zinc/82/76/37/1415827637.db2.gz SMZZWFWCWRBNEU-BBRMVZONSA-N 0 1 383.895 3.262 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000127667253 1415829223 /nfs/dbraw/zinc/82/92/23/1415829223.db2.gz VFNRSYXEMDJZRR-KRWDZBQOSA-N 0 1 399.564 3.251 20 0 GGADMN O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000127688291 1415833730 /nfs/dbraw/zinc/83/37/30/1415833730.db2.gz FYZDQOMQYKNHGP-ZDUSSCGKSA-N 0 1 393.896 3.079 20 0 GGADMN CCOc1ccc2c(c1)CN(C(=O)c1cc(-c3c(C)nn(C)c3C)[nH]n1)CC2 ZINC000127702436 1415835756 /nfs/dbraw/zinc/83/57/56/1415835756.db2.gz JWABPYNYFQGHFG-UHFFFAOYSA-N 0 1 379.464 3.024 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC(C)(C)[C@H](O)C(C)C)n2)cc1 ZINC000127715352 1415837805 /nfs/dbraw/zinc/83/78/05/1415837805.db2.gz VLXLUHYYKUJOKM-MRXNPFEDSA-N 0 1 376.526 3.032 20 0 GGADMN O=C(CN(Cc1ccccc1)c1ccccc1)N1CCC(c2nc[nH]n2)CC1 ZINC000127719285 1415838323 /nfs/dbraw/zinc/83/83/23/1415838323.db2.gz RPEMZSYXVFCZCN-UHFFFAOYSA-N 0 1 375.476 3.218 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3CC[NH2+]C3)ccc2C)c1 ZINC000127736068 1415841131 /nfs/dbraw/zinc/84/11/31/1415841131.db2.gz LBXREUXCDGXYFO-INIZCTEOSA-N 0 1 387.505 3.042 20 0 GGADMN O=C(c1ccc([O-])cc1)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000127775810 1415848336 /nfs/dbraw/zinc/84/83/36/1415848336.db2.gz NJTYHSMGEWEKEQ-LJQANCHMSA-N 0 1 389.879 3.380 20 0 GGADMN COc1cccc(OCCCNC(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000127838241 1415860391 /nfs/dbraw/zinc/86/03/91/1415860391.db2.gz VEZSOIFMQWCAAU-QGZVFWFLSA-N 0 1 377.510 3.128 20 0 GGADMN COc1cccc(OCCCNC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000127838017 1415860444 /nfs/dbraw/zinc/86/04/44/1415860444.db2.gz VEZSOIFMQWCAAU-KRWDZBQOSA-N 0 1 377.510 3.128 20 0 GGADMN Cc1nncn1-c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000127845722 1415861849 /nfs/dbraw/zinc/86/18/49/1415861849.db2.gz MZCZHWXAIGUVRU-UHFFFAOYSA-N 0 1 382.367 3.395 20 0 GGADMN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000127851026 1415862931 /nfs/dbraw/zinc/86/29/31/1415862931.db2.gz GUAAEZDSTQVKBZ-BDJLRTHQSA-N 0 1 392.912 3.160 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)cn1 ZINC000178181537 1429010436 /nfs/dbraw/zinc/01/04/36/1429010436.db2.gz QSOIBGPDUQUQMS-UHFFFAOYSA-N 0 1 390.383 3.235 20 0 GGADMN COc1cccc(NC2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c1 ZINC000127878004 1415868452 /nfs/dbraw/zinc/86/84/52/1415868452.db2.gz OCKUIKZGSQFOJG-UHFFFAOYSA-N 0 1 377.444 3.253 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)CCN1CCOC ZINC000127946025 1415880449 /nfs/dbraw/zinc/88/04/49/1415880449.db2.gz IDNCBBOYUBNDEU-NRFANRHFSA-N 0 1 397.519 3.234 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)CC2)c1 ZINC000127974194 1415886531 /nfs/dbraw/zinc/88/65/31/1415886531.db2.gz DBVHLKSIGBGNSS-UHFFFAOYSA-N 0 1 384.480 3.015 20 0 GGADMN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CCC(=O)c2cccs2)C1 ZINC000127980005 1415887473 /nfs/dbraw/zinc/88/74/73/1415887473.db2.gz FUIGDYPCYLIALD-MRXNPFEDSA-N 0 1 399.516 3.047 20 0 GGADMN CCC1(CO)CCN(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000127986457 1415888867 /nfs/dbraw/zinc/88/88/67/1415888867.db2.gz YHFZAHKTFMPVNH-AWEZNQCLSA-N 0 1 388.430 3.247 20 0 GGADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C1(O)CCCCC1 ZINC000127996772 1415890401 /nfs/dbraw/zinc/89/04/01/1415890401.db2.gz BHORNPGJWVLSIW-UHFFFAOYSA-N 0 1 398.481 3.322 20 0 GGADMN CCC1(CO)CCN([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000128010296 1415892787 /nfs/dbraw/zinc/89/27/87/1415892787.db2.gz RWHNQRMXSSKGCP-HNNXBMFYSA-N 0 1 375.538 3.128 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H](C)c3nnc4n3CCCC4)[nH]c2c1 ZINC000178193717 1429015504 /nfs/dbraw/zinc/01/55/04/1429015504.db2.gz PHGLEICBJWSQPD-YOEHRIQHSA-N 0 1 393.495 3.407 20 0 GGADMN CSc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1F ZINC000128016272 1415893910 /nfs/dbraw/zinc/89/39/10/1415893910.db2.gz VSBTWOCFKSWWED-IEBWSBKVSA-N 0 1 388.508 3.160 20 0 GGADMN Cc1nc(NC(=O)c2cc(-c3ccco3)n[nH]2)sc1-c1n[nH]c(=S)n1C ZINC000128020593 1415894270 /nfs/dbraw/zinc/89/42/70/1415894270.db2.gz OOEKIYIYCSCMKT-UHFFFAOYSA-N 0 1 387.450 3.145 20 0 GGADMN Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000128023838 1415894862 /nfs/dbraw/zinc/89/48/62/1415894862.db2.gz XCQGTEIVQLIEMX-FCHUYYIVSA-N 0 1 386.584 3.422 20 0 GGADMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000128050351 1415901339 /nfs/dbraw/zinc/90/13/39/1415901339.db2.gz UZGFRWYLTQFKOD-RBBKRZOGSA-N 0 1 382.479 3.354 20 0 GGADMN Fc1cc(Br)ccc1CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21 ZINC000822748414 1429017594 /nfs/dbraw/zinc/01/75/94/1429017594.db2.gz XTYLXMVOJDLXME-UHFFFAOYSA-N 0 1 399.227 3.351 20 0 GGADMN Cc1cnn(CCC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000128074942 1415906613 /nfs/dbraw/zinc/90/66/13/1415906613.db2.gz IGLFWGUKLUEWKZ-UHFFFAOYSA-N 0 1 394.441 3.335 20 0 GGADMN CC(C)(C)C[C@H](CO)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000128077582 1415906686 /nfs/dbraw/zinc/90/66/86/1415906686.db2.gz FJRJZHXNICJNHR-GOSISDBHSA-N 0 1 381.948 3.401 20 0 GGADMN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc(-c2ccco2)n[nH]1 ZINC000128093601 1415910927 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CC[C@H](SC)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000132598351 1416790916 /nfs/dbraw/zinc/79/09/16/1416790916.db2.gz STILJDVFYLYFCF-INIZCTEOSA-N 0 1 389.487 3.215 20 0 GGADMN COc1cc(CNCCS(=O)(=O)c2ccc(F)cc2)ccc1OC(C)C ZINC000132603426 1416791840 /nfs/dbraw/zinc/79/18/40/1416791840.db2.gz NOQIIEBJSMSWMG-UHFFFAOYSA-N 0 1 381.469 3.185 20 0 GGADMN COc1cc(Br)c(CNCC2(C(=O)N(C)C)CCCC2)c(OC)c1 ZINC000132654945 1416800424 /nfs/dbraw/zinc/80/04/24/1416800424.db2.gz IHUFYWKISONIDD-UHFFFAOYSA-N 0 1 399.329 3.205 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000132660492 1416801084 /nfs/dbraw/zinc/80/10/84/1416801084.db2.gz SNMPHCOKMWYBRZ-JYJNAYRXSA-N 0 1 393.487 3.425 20 0 GGADMN Cc1cccc(Cl)c1NC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000132667220 1416801869 /nfs/dbraw/zinc/80/18/69/1416801869.db2.gz YJUNUWPFFQQGNL-UHFFFAOYSA-N 0 1 394.947 3.397 20 0 GGADMN CCc1nc(CCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cs1 ZINC000132695234 1416804880 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GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)cn1C ZINC000132782386 1416814394 /nfs/dbraw/zinc/81/43/94/1416814394.db2.gz WCBHWEVXKABMAG-UHFFFAOYSA-N 0 1 390.383 3.107 20 0 GGADMN CC(C)Cn1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1C1CC1 ZINC000132795604 1416816112 /nfs/dbraw/zinc/81/61/12/1416816112.db2.gz UZABTKDQSYXRPB-UHFFFAOYSA-N 0 1 381.524 3.421 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc(-c2ncco2)cc1 ZINC000132803579 1416816863 /nfs/dbraw/zinc/81/68/63/1416816863.db2.gz QCMMJWSVNMSWEM-UXHICEINSA-N 0 1 392.459 3.099 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(-c2ncco2)cc1 ZINC000132803386 1416816894 /nfs/dbraw/zinc/81/68/94/1416816894.db2.gz QCMMJWSVNMSWEM-WOJBJXKFSA-N 0 1 392.459 3.099 20 0 GGADMN COc1cc(OC)cc(OCCCN(C)Cn2nccc2-c2ccncc2)c1 ZINC000132805488 1416817252 /nfs/dbraw/zinc/81/72/52/1416817252.db2.gz PNTBBWNQAXBPAL-UHFFFAOYSA-N 0 1 382.464 3.321 20 0 GGADMN O=C(Nc1ccccc1O)C1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000132808513 1416817651 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Cc1nc(C)c(CCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 ZINC000132829375 1416820417 /nfs/dbraw/zinc/82/04/17/1416820417.db2.gz KMCKACFMNXALDN-OAHLLOKOSA-N 0 1 387.553 3.222 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000132831479 1416820520 /nfs/dbraw/zinc/82/05/20/1416820520.db2.gz STPGKYUJWVMDGV-MJGOQNOKSA-N 0 1 394.519 3.473 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccc(CCC(F)(F)F)cc1)N1CCN(C)CC1 ZINC000132845329 1416822318 /nfs/dbraw/zinc/82/23/18/1416822318.db2.gz ZMKCUNPLDBZIPA-GOSISDBHSA-N 0 1 385.474 3.183 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc4ccccc4c(Cl)n3)cn2)CC1 ZINC000178662667 1429131985 /nfs/dbraw/zinc/13/19/85/1429131985.db2.gz YIUAXTQJHXREFC-UHFFFAOYSA-N 0 1 381.867 3.287 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CNCc3cccnc3)cc2OC)o1 ZINC000132878832 1416826461 /nfs/dbraw/zinc/82/64/61/1416826461.db2.gz MBLMUVMWQNGVHI-UHFFFAOYSA-N 0 1 382.416 3.339 20 0 GGADMN C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Oc1ccccc1 ZINC000132887053 1416827272 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Cc1ccc([C@H](NC(=O)CNC2(C(=O)NCC(C)C)CCCC2)C2CC2)cc1 ZINC000132910564 1416830225 /nfs/dbraw/zinc/83/02/25/1416830225.db2.gz XDPFVUKTTDEELR-NRFANRHFSA-N 0 1 385.552 3.237 20 0 GGADMN Cc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2F)n[nH]1 ZINC000132916819 1416830931 /nfs/dbraw/zinc/83/09/31/1416830931.db2.gz HOYJOKOVSUHEFV-UHFFFAOYSA-N 0 1 384.386 3.277 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)CNC1(C(=O)NCC(C)C)CCCC1 ZINC000132916696 1416830952 /nfs/dbraw/zinc/83/09/52/1416830952.db2.gz NCOYEGQAGHONAW-UHFFFAOYSA-N 0 1 395.931 3.270 20 0 GGADMN CC(C)CNC(=O)C1(NCC(=O)Nc2ccccc2Br)CCCC1 ZINC000132927072 1416832367 /nfs/dbraw/zinc/83/23/67/1416832367.db2.gz GLFJGUWGDSLKTA-UHFFFAOYSA-N 0 1 396.329 3.062 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)CO[C@@H]1CCOC1)c1ccccc1 ZINC000132941633 1416833831 /nfs/dbraw/zinc/83/38/31/1416833831.db2.gz XDQDXXQLVSNHRQ-LRXVAGHRSA-N 0 1 398.503 3.467 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc4ccccc4c(Cl)n3)nc2)CC1 ZINC000178663778 1429132882 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GGADMN COCCCCN[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000133144613 1416856758 /nfs/dbraw/zinc/85/67/58/1416856758.db2.gz VGGBPNHKKKQABW-LJQANCHMSA-N 0 1 383.460 3.474 20 0 GGADMN CSc1ncc(Cl)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000178678362 1429137948 /nfs/dbraw/zinc/13/79/48/1429137948.db2.gz HDDMWESNGUDKQS-GFCCVEGCSA-N 0 1 391.928 3.202 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OCCO)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000133213590 1416865444 /nfs/dbraw/zinc/86/54/44/1416865444.db2.gz NTQQBEWJXKGQCW-SFHVURJKSA-N 0 1 382.504 3.339 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133219525 1416866135 /nfs/dbraw/zinc/86/61/35/1416866135.db2.gz FKVSXLMPLNIVDA-UHFFFAOYSA-N 0 1 391.254 3.470 20 0 GGADMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCC(=O)c1ccccc1 ZINC000133263743 1416871661 /nfs/dbraw/zinc/87/16/61/1416871661.db2.gz NSFHVDFGTTTWJK-GFCCVEGCSA-N 0 1 384.436 3.091 20 0 GGADMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCC(=O)c1ccccc1 ZINC000133263531 1416871730 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3.109 20 0 GGADMN CCCn1nc(C)c(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000133320138 1416878395 /nfs/dbraw/zinc/87/83/95/1416878395.db2.gz LDJHRIZFQKDMPN-IRXDYDNUSA-N 0 1 398.551 3.449 20 0 GGADMN CCS(=O)(=O)c1ccc2oc(CN[C@@](C)(CO)C3CCCCC3)nc2c1 ZINC000133327521 1416878883 /nfs/dbraw/zinc/87/88/83/1416878883.db2.gz YALFRYJAIINBDJ-IBGZPJMESA-N 0 1 380.510 3.042 20 0 GGADMN COCCC(=O)N1CCC(N[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000133355415 1416881818 /nfs/dbraw/zinc/88/18/18/1416881818.db2.gz RWRHHJPLJHDJPJ-MRXNPFEDSA-N 0 1 386.496 3.032 20 0 GGADMN Cc1nncn1-c1cccc(NC(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000133372337 1416883394 /nfs/dbraw/zinc/88/33/94/1416883394.db2.gz YSODDEREHQGCJM-UHFFFAOYSA-N 0 1 393.516 3.377 20 0 GGADMN CC(C)COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000133385094 1416884863 /nfs/dbraw/zinc/88/48/63/1416884863.db2.gz ASVBUFWADSZPCV-UHFFFAOYSA-N 0 1 383.473 3.177 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)/C=C/c1nnc(C(C)C)o1)N1CCCC1 ZINC000133418681 1416888070 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COc1cccc2c1OCC(C(=O)Nc1ccc(N3CCN(C)CC3)cc1C)=C2 ZINC000133487558 1416894652 /nfs/dbraw/zinc/89/46/52/1416894652.db2.gz YCOIBANTHUSFAQ-UHFFFAOYSA-N 0 1 393.487 3.170 20 0 GGADMN Cc1ccccc1[C@H](OC[C@@H](O)CN1CCCC2(C1)OCCO2)c1ccccc1 ZINC000133535017 1416899029 /nfs/dbraw/zinc/89/90/29/1416899029.db2.gz WJJWDGAOIRATIO-JTHBVZDNSA-N 0 1 397.515 3.301 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ncc(C(C)(C)C)o2)CC1 ZINC000133558448 1416903891 /nfs/dbraw/zinc/90/38/91/1416903891.db2.gz XKTLXLDLJNEUFX-HNNXBMFYSA-N 0 1 385.512 3.392 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ncc(C(C)(C)C)o2)CC1 ZINC000133558639 1416904374 /nfs/dbraw/zinc/90/43/74/1416904374.db2.gz XKTLXLDLJNEUFX-OAHLLOKOSA-N 0 1 385.512 3.392 20 0 GGADMN CCN(CCNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)C(C)C ZINC000133562152 1416905295 /nfs/dbraw/zinc/90/52/95/1416905295.db2.gz XDFZYDTZKCHRLK-UHFFFAOYSA-N 0 1 388.533 3.121 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000133607576 1416917336 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20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000133662224 1416933719 /nfs/dbraw/zinc/93/37/19/1416933719.db2.gz TYDPBXPKWOVXPD-UHFFFAOYSA-N 0 1 390.871 3.496 20 0 GGADMN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133667990 1416935071 /nfs/dbraw/zinc/93/50/71/1416935071.db2.gz AJMGVBVWXSSSEQ-DSKINZAPSA-N 0 1 388.556 3.357 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cc1OC(F)F ZINC000826193246 1429144455 /nfs/dbraw/zinc/14/44/55/1429144455.db2.gz WNKAMTDGCAVFEI-UHFFFAOYSA-N 0 1 381.408 3.170 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN2CCCC3(C2)OCCO3)c2ccccc2)cc1 ZINC000133676532 1416938139 /nfs/dbraw/zinc/93/81/39/1416938139.db2.gz TUOFHROOIGJINF-DHIUTWEWSA-N 0 1 397.515 3.301 20 0 GGADMN CN(CCC1CC1)C(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000133692308 1416942698 /nfs/dbraw/zinc/94/26/98/1416942698.db2.gz HZTXBFRUOKGPGV-UHFFFAOYSA-N 0 1 389.459 3.336 20 0 GGADMN CN(CCC1CC1)C(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000133692308 1416942706 /nfs/dbraw/zinc/94/27/06/1416942706.db2.gz HZTXBFRUOKGPGV-UHFFFAOYSA-N 0 1 389.459 3.336 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]([NH3+])C(C)C)ccc2C)c1 ZINC000133694774 1416943701 /nfs/dbraw/zinc/94/37/01/1416943701.db2.gz IWRSLYFJNIFOAT-SFHVURJKSA-N 0 1 375.494 3.026 20 0 GGADMN CCn1c(=S)n(CN2CCN(Cc3ccccc3)CC2)nc1-c1cccnc1 ZINC000133748710 1416955907 /nfs/dbraw/zinc/95/59/07/1416955907.db2.gz OBXFBFMJZLORHU-UHFFFAOYSA-N 0 1 394.548 3.271 20 0 GGADMN COC(=O)CNC(=O)CCN(Cc1ccco1)Cc1cc2cc(C)ccc2o1 ZINC000133749014 1416956340 /nfs/dbraw/zinc/95/63/40/1416956340.db2.gz GYYCBVABGOHNLP-UHFFFAOYSA-N 0 1 384.432 3.016 20 0 GGADMN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc2[nH]nnc2c1 ZINC000133771603 1416960882 /nfs/dbraw/zinc/96/08/82/1416960882.db2.gz TXLAETYFDPEFDK-UHFFFAOYSA-N 0 1 385.836 3.195 20 0 GGADMN O=C(Cc1ccc(O)cc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000133798358 1416965180 /nfs/dbraw/zinc/96/51/80/1416965180.db2.gz NQUKJNMKWROZLX-QGZVFWFLSA-N 0 1 378.394 3.344 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NCC2CCCCC2)C1 ZINC000133803092 1416966612 /nfs/dbraw/zinc/96/66/12/1416966612.db2.gz HQMOHWKIWVWXJO-WMZOPIPTSA-N 0 1 381.561 3.308 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cccc3[nH]c(=O)oc32)N2CCCCC2)cc1 ZINC000133816477 1416969267 /nfs/dbraw/zinc/96/92/67/1416969267.db2.gz FNBGVAPCHOHHDJ-LJQANCHMSA-N 0 1 395.459 3.087 20 0 GGADMN CC[C@H]1c2ccccc2CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000133843292 1416975971 /nfs/dbraw/zinc/97/59/71/1416975971.db2.gz GJHQFGHOAZCSOS-SFHVURJKSA-N 0 1 379.485 3.221 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000133851097 1416978961 /nfs/dbraw/zinc/97/89/61/1416978961.db2.gz ZMBPZIMEMIWPEL-HNNXBMFYSA-N 0 1 392.544 3.440 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n[nH]1 ZINC000133869544 1416983022 /nfs/dbraw/zinc/98/30/22/1416983022.db2.gz JHWFJOREKMVVRT-MGPUTAFESA-N 0 1 391.475 3.328 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3c[nH]nc3-c3ccccc3)c2)CC1 ZINC000178702746 1429146984 /nfs/dbraw/zinc/14/69/84/1429146984.db2.gz GVZLBGRZLDNYIN-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN O=c1[nH]c(CN2CCN([C@H]3CCCc4ccc(F)cc43)CC2)nc2ccccc21 ZINC000133948405 1417000369 /nfs/dbraw/zinc/00/03/69/1417000369.db2.gz GVJAKAVEGNPHEI-NRFANRHFSA-N 0 1 392.478 3.257 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000133953640 1417001120 /nfs/dbraw/zinc/00/11/20/1417001120.db2.gz VVYAKRYZCPONOV-CABCVRRESA-N 0 1 399.491 3.294 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000133978237 1417004800 /nfs/dbraw/zinc/00/48/00/1417004800.db2.gz WDASAJCGZUJUPI-LJQANCHMSA-N 0 1 375.476 3.180 20 0 GGADMN CNC(=O)c1cc(Cl)ccc1NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000133986254 1417005852 /nfs/dbraw/zinc/00/58/52/1417005852.db2.gz BKXURICPOMWAHC-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN O=C(CN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21)NCC(F)(F)F ZINC000134042575 1417013695 /nfs/dbraw/zinc/01/36/95/1417013695.db2.gz JUNKVTGZRIDBJX-FQEVSTJZSA-N 0 1 392.421 3.001 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000134061847 1417016558 /nfs/dbraw/zinc/01/65/58/1417016558.db2.gz AKBOIZUVWMMMAT-HZPDHXFCSA-N 0 1 393.409 3.462 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000134062040 1417016642 /nfs/dbraw/zinc/01/66/42/1417016642.db2.gz AKBOIZUVWMMMAT-CVEARBPZSA-N 0 1 393.409 3.462 20 0 GGADMN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000134067830 1417017531 /nfs/dbraw/zinc/01/75/31/1417017531.db2.gz VHFSXKMTNGRWEF-OAHLLOKOSA-N 0 1 392.381 3.328 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3cccc(F)c3)C3CCCC3)CCO2)n[nH]1 ZINC000134080611 1417019354 /nfs/dbraw/zinc/01/93/54/1417019354.db2.gz WAZZNOVIJNUPLX-ZWKOTPCHSA-N 0 1 387.459 3.267 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1)C(C)C ZINC000134084323 1417019673 /nfs/dbraw/zinc/01/96/73/1417019673.db2.gz UQSJUFGPGLSGHG-UHFFFAOYSA-N 0 1 398.532 3.487 20 0 GGADMN CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000134086723 1417020481 /nfs/dbraw/zinc/02/04/81/1417020481.db2.gz MLVMYPYPDHDFQV-HNNXBMFYSA-N 0 1 375.494 3.182 20 0 GGADMN O=C(CN1CCc2ccc(F)cc2C1)Nc1cccc(CN2CCSCC2)c1 ZINC000134095583 1417021599 /nfs/dbraw/zinc/02/15/99/1417021599.db2.gz WVACYRFHYGMOCE-UHFFFAOYSA-N 0 1 399.535 3.371 20 0 GGADMN CC(C)c1ccc(C[C@H](C)NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000134105066 1417022902 /nfs/dbraw/zinc/02/29/02/1417022902.db2.gz YOBRJPARLJNPSW-IBGZPJMESA-N 0 1 387.568 3.495 20 0 GGADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000178722165 1429150882 /nfs/dbraw/zinc/15/08/82/1429150882.db2.gz JEYBKABFNWIZCS-HOTGVXAUSA-N 0 1 390.553 3.315 20 0 GGADMN CCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)CCc3nc[nH]n3)ccc21 ZINC000134155876 1417030743 /nfs/dbraw/zinc/03/07/43/1417030743.db2.gz KGSJIZOQGWGAJY-UHFFFAOYSA-N 0 1 384.436 3.193 20 0 GGADMN O=c1cc(CN(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)occ1O ZINC000134193579 1417036089 /nfs/dbraw/zinc/03/60/89/1417036089.db2.gz OMBLKFOWNAUFCU-QHCPKHFHSA-N 0 1 377.440 3.182 20 0 GGADMN O=c1cc(CN(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)occ1O ZINC000134193370 1417036169 /nfs/dbraw/zinc/03/61/69/1417036169.db2.gz OMBLKFOWNAUFCU-HSZRJFAPSA-N 0 1 377.440 3.182 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000134192415 1417036194 /nfs/dbraw/zinc/03/61/94/1417036194.db2.gz QFROXTSNMKRFPB-DLBZAZTESA-N 0 1 381.561 3.403 20 0 GGADMN COc1ccccc1[C@@H](NS(=O)(=O)c1cc2ccccc2o1)c1noc(C)n1 ZINC000134201224 1417036956 /nfs/dbraw/zinc/03/69/56/1417036956.db2.gz CCADJJLXSQQSQU-GOSISDBHSA-N 0 1 399.428 3.201 20 0 GGADMN COCc1ccc(CNC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000178723643 1429151764 /nfs/dbraw/zinc/15/17/64/1429151764.db2.gz UQOPYPWSIHQIGE-QHCPKHFHSA-N 0 1 396.531 3.211 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cnc(Cl)cn1 ZINC000178726557 1429151817 /nfs/dbraw/zinc/15/18/17/1429151817.db2.gz UWEXTRHZHMKOHF-UHFFFAOYSA-N 0 1 379.291 3.425 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000134202114 1417037440 /nfs/dbraw/zinc/03/74/40/1417037440.db2.gz AODZFVWPSVTCDK-OAHLLOKOSA-N 0 1 387.915 3.197 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN2C[C@H](c3ccccc3)C(C)(C)C2)cc1 ZINC000134260231 1417045381 /nfs/dbraw/zinc/04/53/81/1417045381.db2.gz ASLFOUORUQZIOR-HXUWFJFHSA-N 0 1 379.504 3.453 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN2C[C@@H](c3ccccc3)C(C)(C)C2)cc1 ZINC000134260256 1417045552 /nfs/dbraw/zinc/04/55/52/1417045552.db2.gz ASLFOUORUQZIOR-FQEVSTJZSA-N 0 1 379.504 3.453 20 0 GGADMN O=C(CNCc1cnc(C2CC2)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000134309887 1417053895 /nfs/dbraw/zinc/05/38/95/1417053895.db2.gz DABITACFSVARHP-UHFFFAOYSA-N 0 1 390.940 3.112 20 0 GGADMN COCc1cccc(CNC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000134317204 1417054908 /nfs/dbraw/zinc/05/49/08/1417054908.db2.gz HAOXXSYAAHEDHD-UHFFFAOYSA-N 0 1 396.531 3.257 20 0 GGADMN COc1ccc(NC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)c(OC)c1 ZINC000134318706 1417055095 /nfs/dbraw/zinc/05/50/95/1417055095.db2.gz CKAAYGGBMQAWKI-UHFFFAOYSA-N 0 1 398.503 3.450 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](c3nccc(C)n3)C3CC3)n2)cc1 ZINC000134324954 1417055953 /nfs/dbraw/zinc/05/59/53/1417055953.db2.gz AIFKLJVADQDYOA-QGZVFWFLSA-N 0 1 394.504 3.238 20 0 GGADMN COc1ccc(NC(=O)CN(Cc2ccccc2)CC2(O)CCCC2)cc1OC ZINC000134325202 1417055992 /nfs/dbraw/zinc/05/59/92/1417055992.db2.gz GUYNZRJKFIVGLO-UHFFFAOYSA-N 0 1 398.503 3.450 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000134382684 1417062946 /nfs/dbraw/zinc/06/29/46/1417062946.db2.gz ADBKPUCSXMFOAP-UHFFFAOYSA-N 0 1 386.883 3.303 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c[nH]c2ccccc2c1=O ZINC000134384600 1417062999 /nfs/dbraw/zinc/06/29/99/1417062999.db2.gz OYHVSCIAPCILNT-GFCCVEGCSA-N 0 1 385.826 3.329 20 0 GGADMN Cc1ocnc1CNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000134387812 1417063492 /nfs/dbraw/zinc/06/34/92/1417063492.db2.gz MBHUFDLKCGXRLQ-UHFFFAOYSA-N 0 1 391.474 3.084 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@@H](CO)C(C)(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000134395128 1417064064 /nfs/dbraw/zinc/06/40/64/1417064064.db2.gz RXEYWZCHCYSOIU-DOMZBBRYSA-N 0 1 376.419 3.101 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2-c2nnc(C)o2)ccc1C ZINC000134451306 1417069849 /nfs/dbraw/zinc/06/98/49/1417069849.db2.gz XKULXUYPWUJNEJ-UHFFFAOYSA-N 0 1 386.433 3.113 20 0 GGADMN COc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000134454888 1417070770 /nfs/dbraw/zinc/07/07/70/1417070770.db2.gz BUUIRNVWDUSLNO-UHFFFAOYSA-N 0 1 394.880 3.449 20 0 GGADMN O=C([C@H]1CCCc2[nH]ncc21)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000134459282 1417071771 /nfs/dbraw/zinc/07/17/71/1417071771.db2.gz JZRJVJSKRWRHRT-WMLDXEAASA-N 0 1 379.382 3.449 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000134467136 1417073297 /nfs/dbraw/zinc/07/32/97/1417073297.db2.gz GINQOWPOEOVXAO-UHFFFAOYSA-N 0 1 391.424 3.138 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccs1 ZINC000134493472 1417076588 /nfs/dbraw/zinc/07/65/88/1417076588.db2.gz JRGRBXKDRZGBNY-LSDHHAIUSA-N 0 1 385.892 3.176 20 0 GGADMN CC[C@@H](O)CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000134500614 1417077403 /nfs/dbraw/zinc/07/74/03/1417077403.db2.gz RSQIAZFHMYEFSM-LJQANCHMSA-N 0 1 391.515 3.326 20 0 GGADMN CC(=O)c1ccc(CNC(=O)c2ccc(CN3CCSCC3)cc2)nc1C ZINC000134502611 1417077921 /nfs/dbraw/zinc/07/79/21/1417077921.db2.gz NANTXHUFJGXRIP-UHFFFAOYSA-N 0 1 383.517 3.071 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134504814 1417077990 /nfs/dbraw/zinc/07/79/90/1417077990.db2.gz OEFCMXLPSRFOOV-YJBOKZPZSA-N 0 1 376.863 3.366 20 0 GGADMN CCC(=O)N1CC[C@@H](NCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000134520343 1417080951 /nfs/dbraw/zinc/08/09/51/1417080951.db2.gz JVMVAUMCPDXQEO-MRXNPFEDSA-N 0 1 378.879 3.133 20 0 GGADMN COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)ccc1OCC(=O)N1CCOCC1 ZINC000134524790 1417081819 /nfs/dbraw/zinc/08/18/19/1417081819.db2.gz FEHSRGRXNSUWII-UHFFFAOYSA-N 0 1 395.459 3.093 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCCC[C@H](SC)C2)c1 ZINC000134542194 1417084409 /nfs/dbraw/zinc/08/44/09/1417084409.db2.gz HLURHXGXQUSBJU-SFHVURJKSA-N 0 1 377.554 3.325 20 0 GGADMN Cn1c(CN[C@H]2CCN(C(=O)C3CCCC3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000134544775 1417084796 /nfs/dbraw/zinc/08/47/96/1417084796.db2.gz JVCBJJPNVBQXTO-HNNXBMFYSA-N 0 1 394.441 3.473 20 0 GGADMN CS[C@@H]1CCCCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000134570251 1417088857 /nfs/dbraw/zinc/08/88/57/1417088857.db2.gz SDALXWJVYYGWLC-LJQANCHMSA-N 0 1 376.566 3.069 20 0 GGADMN CS[C@H]1CCCCN([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000134595919 1417093763 /nfs/dbraw/zinc/09/37/63/1417093763.db2.gz BABMRUNJXGROAW-YJBOKZPZSA-N 0 1 375.538 3.358 20 0 GGADMN CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000134615998 1417097071 /nfs/dbraw/zinc/09/70/71/1417097071.db2.gz MSLKLZIIVGTTBU-GOSISDBHSA-N 0 1 389.459 3.336 20 0 GGADMN CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000134615998 1417097076 /nfs/dbraw/zinc/09/70/76/1417097076.db2.gz MSLKLZIIVGTTBU-GOSISDBHSA-N 0 1 389.459 3.336 20 0 GGADMN Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134617610 1417097394 /nfs/dbraw/zinc/09/73/94/1417097394.db2.gz WZPMJHKSVJNVQM-QGZVFWFLSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134617610 1417097400 /nfs/dbraw/zinc/09/74/00/1417097400.db2.gz WZPMJHKSVJNVQM-QGZVFWFLSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(C)c1 ZINC000134616657 1417097522 /nfs/dbraw/zinc/09/75/22/1417097522.db2.gz LOEDOXZPCWPGNY-GOSISDBHSA-N 0 1 389.459 3.391 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(C)c1 ZINC000134616657 1417097528 /nfs/dbraw/zinc/09/75/28/1417097528.db2.gz LOEDOXZPCWPGNY-GOSISDBHSA-N 0 1 389.459 3.391 20 0 GGADMN Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134616488 1417097732 /nfs/dbraw/zinc/09/77/32/1417097732.db2.gz YFUSQQRILKBAIA-KRWDZBQOSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134616488 1417097737 /nfs/dbraw/zinc/09/77/37/1417097737.db2.gz YFUSQQRILKBAIA-KRWDZBQOSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134616835 1417097909 /nfs/dbraw/zinc/09/79/09/1417097909.db2.gz BREHJRROYWWIAI-QGZVFWFLSA-N 0 1 375.432 3.082 20 0 GGADMN Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134616835 1417097911 /nfs/dbraw/zinc/09/79/11/1417097911.db2.gz BREHJRROYWWIAI-QGZVFWFLSA-N 0 1 375.432 3.082 20 0 GGADMN O=C(Nc1c(F)cccc1F)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000134618775 1417098017 /nfs/dbraw/zinc/09/80/17/1417098017.db2.gz KOWKOUJEQHMOOJ-OAHLLOKOSA-N 0 1 397.385 3.052 20 0 GGADMN O=C(Nc1c(F)cccc1F)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000134618775 1417098024 /nfs/dbraw/zinc/09/80/24/1417098024.db2.gz KOWKOUJEQHMOOJ-OAHLLOKOSA-N 0 1 397.385 3.052 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1F ZINC000134618952 1417098321 /nfs/dbraw/zinc/09/83/21/1417098321.db2.gz SGBBKPJZDZWCEP-INIZCTEOSA-N 0 1 393.422 3.221 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1F ZINC000134618952 1417098327 /nfs/dbraw/zinc/09/83/27/1417098327.db2.gz SGBBKPJZDZWCEP-INIZCTEOSA-N 0 1 393.422 3.221 20 0 GGADMN O=C(NCCOc1ncccc1Cl)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000134629151 1417100295 /nfs/dbraw/zinc/10/02/95/1417100295.db2.gz DMDGRNRYZXABAC-INIZCTEOSA-N 0 1 392.887 3.233 20 0 GGADMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)C1CC1 ZINC000134663445 1417108478 /nfs/dbraw/zinc/10/84/78/1417108478.db2.gz AOFISADSGLMWFW-HLLBOEOZSA-N 0 1 379.545 3.154 20 0 GGADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CC(=O)N(C1CC1)C1CCCC1 ZINC000134669635 1417110335 /nfs/dbraw/zinc/11/03/35/1417110335.db2.gz XWNNTINHSVQQTE-JKSUJKDBSA-N 0 1 379.545 3.298 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CNCC[S@](C)=O ZINC000134742704 1417119634 /nfs/dbraw/zinc/11/96/34/1417119634.db2.gz PMROIIJSLWTGRB-GOSISDBHSA-N 0 1 399.148 3.078 20 0 GGADMN COc1ccc(COCCC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000134751634 1417120702 /nfs/dbraw/zinc/12/07/02/1417120702.db2.gz NDRLWISHCQAYJX-FQEVSTJZSA-N 0 1 386.492 3.457 20 0 GGADMN CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000134763902 1417122232 /nfs/dbraw/zinc/12/22/32/1417122232.db2.gz AHCQIDIPCCKBGJ-HXUWFJFHSA-N 0 1 387.572 3.334 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)C1CCOCC1)N1CCCCC1 ZINC000134766049 1417122285 /nfs/dbraw/zinc/12/22/85/1417122285.db2.gz UEVLQXNSESNYKE-FXAWDEMLSA-N 0 1 389.540 3.337 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000134784117 1417125153 /nfs/dbraw/zinc/12/51/53/1417125153.db2.gz HCMPGQZIFIOXOX-RTWAWAEBSA-N 0 1 399.466 3.311 20 0 GGADMN Cc1ccsc1CNC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134794627 1417127050 /nfs/dbraw/zinc/12/70/50/1417127050.db2.gz ZZVXOJAQQVNZGA-MSOLQXFVSA-N 0 1 376.497 3.400 20 0 GGADMN Cc1ccsc1CNC(=O)CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134794654 1417127148 /nfs/dbraw/zinc/12/71/48/1417127148.db2.gz ZZVXOJAQQVNZGA-ROUUACIJSA-N 0 1 376.497 3.400 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000134798957 1417127553 /nfs/dbraw/zinc/12/75/53/1417127553.db2.gz UNPWOPRLQNXDCW-RTBURBONSA-N 0 1 388.508 3.360 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(-c2ncc[nH]2)c1 ZINC000134828876 1417132258 /nfs/dbraw/zinc/13/22/58/1417132258.db2.gz IXQGLQRSCUTOKN-UHFFFAOYSA-N 0 1 391.456 3.104 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000823673123 1429160771 /nfs/dbraw/zinc/16/07/71/1429160771.db2.gz IPIZRGVERHBSPB-IBGZPJMESA-N 0 1 393.422 3.335 20 0 GGADMN CCOC(=O)N1CCC(NC(=O)CN(Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000134866617 1417136438 /nfs/dbraw/zinc/13/64/38/1417136438.db2.gz VZYIWLFPXZFXNI-UHFFFAOYSA-N 0 1 393.503 3.163 20 0 GGADMN COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134874569 1417137353 /nfs/dbraw/zinc/13/73/53/1417137353.db2.gz FYIAPXFHXREPOQ-IERDGZPVSA-N 0 1 380.488 3.220 20 0 GGADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC000134890483 1417140723 /nfs/dbraw/zinc/14/07/23/1417140723.db2.gz TUVFFLJHRQEJIY-HNNXBMFYSA-N 0 1 379.932 3.419 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)c2cccnc12 ZINC000134901246 1417141750 /nfs/dbraw/zinc/14/17/50/1417141750.db2.gz GBBJEXPFLRJZGH-UHFFFAOYSA-N 0 1 387.480 3.222 20 0 GGADMN CC(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000134898871 1417141818 /nfs/dbraw/zinc/14/18/18/1417141818.db2.gz SZPIFJZFFSOECN-UHFFFAOYSA-N 0 1 392.496 3.205 20 0 GGADMN C[C@H](NC(=O)N1CCN(Cc2cccc3ccccc32)CC1)C1CCOCC1 ZINC000134899818 1417141836 /nfs/dbraw/zinc/14/18/36/1417141836.db2.gz WNTCZCUALDTHLO-SFHVURJKSA-N 0 1 381.520 3.482 20 0 GGADMN CC(C)OC(=O)c1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000134970403 1417154234 /nfs/dbraw/zinc/15/42/34/1417154234.db2.gz CVWDULOIHZRPOY-OAHLLOKOSA-N 0 1 390.505 3.092 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccnc(OCC(F)F)c1 ZINC000135010585 1417160329 /nfs/dbraw/zinc/16/03/29/1417160329.db2.gz MDXQUNJTHMPRNM-UHFFFAOYSA-N 0 1 379.754 3.416 20 0 GGADMN CC(C)CC[C@@H]1CCCCN1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000135014908 1417161877 /nfs/dbraw/zinc/16/18/77/1417161877.db2.gz BQTVALQGKYBKTH-FQEVSTJZSA-N 0 1 387.572 3.334 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000135026599 1417164326 /nfs/dbraw/zinc/16/43/26/1417164326.db2.gz VCYDPFFNCTXURV-CSBKYJRVSA-N 0 1 383.895 3.339 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c(F)c1 ZINC000135067972 1417169225 /nfs/dbraw/zinc/16/92/25/1417169225.db2.gz YPQZECFGFGDUJQ-UHFFFAOYSA-N 0 1 376.472 3.083 20 0 GGADMN COc1ccccc1CN(CCO)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000135068593 1417169681 /nfs/dbraw/zinc/16/96/81/1417169681.db2.gz KROCVOSJIPWDBB-UHFFFAOYSA-N 0 1 385.851 3.373 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCc1c(F)cccc1Cl ZINC000135114444 1417173665 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CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)Cc1[nH]nc2ccccc21 ZINC000140182619 1417491015 /nfs/dbraw/zinc/49/10/15/1417491015.db2.gz DDQANEFBFHTXMI-UHFFFAOYSA-N 0 1 389.814 3.100 20 0 GGADMN O=C(COC(=O)Cc1[nH]nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000140177395 1417491065 /nfs/dbraw/zinc/49/10/65/1417491065.db2.gz LXGBGSNTWLPMAR-UHFFFAOYSA-N 0 1 377.322 3.306 20 0 GGADMN C[C@H](O)c1ccc(CNCc2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000140218116 1417492342 /nfs/dbraw/zinc/49/23/42/1417492342.db2.gz WIAGARCGGHCPCZ-KRWDZBQOSA-N 0 1 377.488 3.415 20 0 GGADMN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000140226845 1417493772 /nfs/dbraw/zinc/49/37/72/1417493772.db2.gz BTMHINIOZDFXLV-UHFFFAOYSA-N 0 1 390.443 3.212 20 0 GGADMN CCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000140261439 1417495019 /nfs/dbraw/zinc/49/50/19/1417495019.db2.gz VXYDGHTWUOJKBW-UHFFFAOYSA-N 0 1 379.416 3.270 20 0 GGADMN C[C@@H](NC(=O)COC(=O)Cc1[nH]nc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000140265597 1417495473 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GGADMN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000140695639 1417512279 /nfs/dbraw/zinc/51/22/79/1417512279.db2.gz LTLIPRUYKYIOQH-SFHVURJKSA-N 0 1 385.512 3.366 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCNc1ncccc1C#N ZINC000140719354 1417513718 /nfs/dbraw/zinc/51/37/18/1417513718.db2.gz OVAKOTOJGCCADG-UHFFFAOYSA-N 0 1 384.846 3.442 20 0 GGADMN COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000140858399 1417518663 /nfs/dbraw/zinc/51/86/63/1417518663.db2.gz SSOIGXCLKNWQGQ-INIZCTEOSA-N 0 1 392.496 3.089 20 0 GGADMN CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000140854033 1417518952 /nfs/dbraw/zinc/51/89/52/1417518952.db2.gz ZJZQTEQMKHBQMC-QGZVFWFLSA-N 0 1 375.513 3.125 20 0 GGADMN CN(C)C(=O)c1cccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000140854033 1417518966 /nfs/dbraw/zinc/51/89/66/1417518966.db2.gz ZJZQTEQMKHBQMC-QGZVFWFLSA-N 0 1 375.513 3.125 20 0 GGADMN CCOc1c(OC)cc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1OC ZINC000140918786 1417520732 /nfs/dbraw/zinc/52/07/32/1417520732.db2.gz NNBVREPLQRZKBI-IBGZPJMESA-N 0 1 398.503 3.383 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000140970206 1417522664 /nfs/dbraw/zinc/52/26/64/1417522664.db2.gz JGCDGQPOYZZMKL-GOSISDBHSA-N 0 1 383.414 3.134 20 0 GGADMN CCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 ZINC000141008171 1417523766 /nfs/dbraw/zinc/52/37/66/1417523766.db2.gz WKGHWFDEPFYRIJ-HNNXBMFYSA-N 0 1 394.947 3.115 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN(C)C2Cc3ccccc3C2)cc1OC ZINC000141342406 1417533239 /nfs/dbraw/zinc/53/32/39/1417533239.db2.gz OKOIZGZETLGNJZ-INIZCTEOSA-N 0 1 382.504 3.289 20 0 GGADMN CN(CC(=O)NCc1cccc(OCC(F)(F)F)c1)C1Cc2ccccc2C1 ZINC000141341176 1417534182 /nfs/dbraw/zinc/53/41/82/1417534182.db2.gz LJKWDKDCOCSRHO-UHFFFAOYSA-N 0 1 392.421 3.343 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(CCc2cccs2)CC1 ZINC000141397712 1417536678 /nfs/dbraw/zinc/53/66/78/1417536678.db2.gz ZUIXSDARJQEDAG-OALUTQOASA-N 0 1 385.577 3.483 20 0 GGADMN C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(CCc2cccs2)CC1 ZINC000141414445 1417536999 /nfs/dbraw/zinc/53/69/99/1417536999.db2.gz QCZPVIUXBPHZGG-SFHVURJKSA-N 0 1 383.561 3.276 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCN(CCc2cccs2)CC1)c1ccc(F)cc1 ZINC000141471439 1417540105 /nfs/dbraw/zinc/54/01/05/1417540105.db2.gz LVKXAAGBIGGLCG-SJORKVTESA-N 0 1 389.540 3.313 20 0 GGADMN C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(CCc2cccs2)CC1 ZINC000141478550 1417540422 /nfs/dbraw/zinc/54/04/22/1417540422.db2.gz JNBHLCVQYHFTML-GOSISDBHSA-N 0 1 383.561 3.276 20 0 GGADMN COc1ccc(NC(=O)CN2CCN(CCc3cccs3)CC2)cc1Cl ZINC000141506746 1417542388 /nfs/dbraw/zinc/54/23/88/1417542388.db2.gz ZBBSBEIYOOGKQV-UHFFFAOYSA-N 0 1 393.940 3.209 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)n[nH]2)c1 ZINC000141622943 1417546109 /nfs/dbraw/zinc/54/61/09/1417546109.db2.gz LIEJTFKGYNESGS-UHFFFAOYSA-N 0 1 390.487 3.352 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000141652006 1417548302 /nfs/dbraw/zinc/54/83/02/1417548302.db2.gz UCPJHEQYLCUTKT-UHFFFAOYSA-N 0 1 382.414 3.313 20 0 GGADMN O=C(NCCc1cc2ccccc2[nH]1)NC1CCN(Cc2ccncc2)CC1 ZINC000178845280 1429193197 /nfs/dbraw/zinc/19/31/97/1429193197.db2.gz LSOKLSPDXYCRGV-UHFFFAOYSA-N 0 1 377.492 3.069 20 0 GGADMN CCCOc1cccc(CCNC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000178845300 1429193401 /nfs/dbraw/zinc/19/34/01/1429193401.db2.gz LDEWNGSHRTYFDZ-UHFFFAOYSA-N 0 1 396.535 3.377 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccn(Cc2ccccc2)c1=O ZINC000141996879 1417568613 /nfs/dbraw/zinc/56/86/13/1417568613.db2.gz DJCRAYKQGWWNLC-FQEVSTJZSA-N 0 1 391.471 3.057 20 0 GGADMN COc1ccc(C2(C(=O)N3CCN(CCC(C)(C)C)CC3)CCOCC2)cc1 ZINC000142195626 1417576206 /nfs/dbraw/zinc/57/62/06/1417576206.db2.gz JYXMZBCDPTXPNC-UHFFFAOYSA-N 0 1 388.552 3.324 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C[C@H](NC(N)=O)c3cccs3)[nH]c2c1 ZINC000142301461 1417581870 /nfs/dbraw/zinc/58/18/70/1417581870.db2.gz YPCCQODRXCVTER-JKSUJKDBSA-N 0 1 397.504 3.396 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@H](NC(N)=O)c3ccccc3)[nH]c2c1 ZINC000142300036 1417582216 /nfs/dbraw/zinc/58/22/16/1417582216.db2.gz ITPASXODNHXPLT-HKUYNNGSSA-N 0 1 391.475 3.335 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H]3CCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000142344770 1417585147 /nfs/dbraw/zinc/58/51/47/1417585147.db2.gz MCXQNWQNTAWIAS-BBRMVZONSA-N 0 1 395.429 3.354 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NC3CCN(CC(F)F)CC3)[nH]c2c1 ZINC000142803593 1417600967 /nfs/dbraw/zinc/60/09/67/1417600967.db2.gz UINDOXORBFAQPD-QGZVFWFLSA-N 0 1 391.466 3.447 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccn(Cc2ccccc2)c1=O)c1cccc(F)c1 ZINC000142927527 1417603062 /nfs/dbraw/zinc/60/30/62/1417603062.db2.gz BMELEVPLURRPAP-NRFANRHFSA-N 0 1 393.462 3.068 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2csc(-c3ccccc3F)n2)C[C@@H](C)O1 ZINC000143002660 1417606977 /nfs/dbraw/zinc/60/69/77/1417606977.db2.gz ZRMAQKULGBRWGO-ZIAGYGMSSA-N 0 1 377.485 3.178 20 0 GGADMN CC(C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)N1CCOCC1 ZINC000143026871 1417608676 /nfs/dbraw/zinc/60/86/76/1417608676.db2.gz NUDPUJSQHLYEGP-HXUWFJFHSA-N 0 1 377.492 3.461 20 0 GGADMN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCSCC1)c1ccccc1 ZINC000143030957 1417608786 /nfs/dbraw/zinc/60/87/86/1417608786.db2.gz GBVVELMLUDGIGE-KRWDZBQOSA-N 0 1 397.544 3.094 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(S(C)(=O)=O)nc3)[nH]c2c1 ZINC000143097185 1417611620 /nfs/dbraw/zinc/61/16/20/1417611620.db2.gz SESYXRQIWWKITP-INIZCTEOSA-N 0 1 399.476 3.039 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736292225 1429196550 /nfs/dbraw/zinc/19/65/50/1429196550.db2.gz IQPTZDFGHQOSTQ-XFQAVAEZSA-N 0 1 388.475 3.470 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccc(C[S@@](C)=O)c2)N2CCCC2)cc1 ZINC000143174548 1417616845 /nfs/dbraw/zinc/61/68/45/1417616845.db2.gz AZSKWCXRONDXBC-IDISGSTGSA-N 0 1 384.545 3.440 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CCCC2)cc1 ZINC000143273517 1417622833 /nfs/dbraw/zinc/62/28/33/1417622833.db2.gz IXSFCKAUIIXDFT-HXUWFJFHSA-N 0 1 383.467 3.334 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000143270377 1417623981 /nfs/dbraw/zinc/62/39/81/1417623981.db2.gz HBIXVXZRVKZQGT-HXUWFJFHSA-N 0 1 395.503 3.286 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)CN(C)C3Cc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000143486874 1417636380 /nfs/dbraw/zinc/63/63/80/1417636380.db2.gz ANBCATKYBJDQRZ-HDICACEKSA-N 0 1 393.531 3.338 20 0 GGADMN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000143518337 1417638086 /nfs/dbraw/zinc/63/80/86/1417638086.db2.gz ZSOIUOIJZDLQAY-YJBOKZPZSA-N 0 1 395.484 3.483 20 0 GGADMN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000143518761 1417638340 /nfs/dbraw/zinc/63/83/40/1417638340.db2.gz ZSOIUOIJZDLQAY-QAPCUYQASA-N 0 1 395.484 3.483 20 0 GGADMN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000143561665 1417639617 /nfs/dbraw/zinc/63/96/17/1417639617.db2.gz YXXALMRQNFSRRF-OAQYLSRUSA-N 0 1 395.503 3.147 20 0 GGADMN O=C(Cc1cnn(-c2ccccc2)c1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000143573619 1417641386 /nfs/dbraw/zinc/64/13/86/1417641386.db2.gz LTKKHSQXQMYPLE-HXUWFJFHSA-N 0 1 378.476 3.351 20 0 GGADMN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000143786503 1417647282 /nfs/dbraw/zinc/64/72/82/1417647282.db2.gz NZJOQZALBLJSAA-UHFFFAOYSA-N 0 1 391.466 3.136 20 0 GGADMN CCOC(=O)CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC1CC1 ZINC000144491492 1417662826 /nfs/dbraw/zinc/66/28/26/1417662826.db2.gz KWZZOQJLBFXNKN-UHFFFAOYSA-N 0 1 382.888 3.261 20 0 GGADMN CCn1cc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)ccc1=O ZINC000144650619 1417668323 /nfs/dbraw/zinc/66/83/23/1417668323.db2.gz UXODOCKTEQMAEC-GOSISDBHSA-N 0 1 388.899 3.480 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)o1 ZINC000144687753 1417668713 /nfs/dbraw/zinc/66/87/13/1417668713.db2.gz RHTXUTAEAXHROC-UHFFFAOYSA-N 0 1 383.492 3.286 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)o1 ZINC000144710741 1417670232 /nfs/dbraw/zinc/67/02/32/1417670232.db2.gz ZOQZTHYLFNLBNA-UHFFFAOYSA-N 0 1 383.492 3.286 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3cccc(C(=O)N(C)C)c3)n2)c(OC)c1 ZINC000144759091 1417671304 /nfs/dbraw/zinc/67/13/04/1417671304.db2.gz UJDMPLKBIPTXLG-UHFFFAOYSA-N 0 1 398.488 3.483 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000144770778 1417671926 /nfs/dbraw/zinc/67/19/26/1417671926.db2.gz MOFFAQQHTOPSFO-ICSRJNTNSA-N 0 1 385.552 3.194 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@H](C)CC(C)C)n2)c(OC)c1 ZINC000144769129 1417672050 /nfs/dbraw/zinc/67/20/50/1417672050.db2.gz YJDODZRSJYVGTL-CYBMUJFWSA-N 0 1 392.525 3.474 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3nc(N)c4ccccc4n3)n2)c(OC)c1 ZINC000144801917 1417672693 /nfs/dbraw/zinc/67/26/93/1417672693.db2.gz LCHIDNRSBRUVTD-UHFFFAOYSA-N 0 1 394.460 3.307 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000144803901 1417673280 /nfs/dbraw/zinc/67/32/80/1417673280.db2.gz HUNYDLYDPMYMSW-UHFFFAOYSA-N 0 1 399.579 3.241 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC3CCCCC3)n2)c(OC)c1 ZINC000144842704 1417674534 /nfs/dbraw/zinc/67/45/34/1417674534.db2.gz BHFKEKYFFXVMAB-GFCCVEGCSA-N 0 1 390.509 3.418 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2)c(OC)c1 ZINC000144844361 1417674705 /nfs/dbraw/zinc/67/47/05/1417674705.db2.gz UPGZFQGGQYLDFW-SWLSCSKDSA-N 0 1 390.509 3.276 20 0 GGADMN COc1ccc(C(=O)CSc2nc(-c3ccc(OC)cc3OC)n[nH]2)cc1 ZINC000144834001 1417674932 /nfs/dbraw/zinc/67/49/32/1417674932.db2.gz ARYBLJTVEBGHLA-UHFFFAOYSA-N 0 1 385.445 3.473 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3n[nH]c4ccccc34)cc2)C[C@@H](C)O1 ZINC000144921503 1417676291 /nfs/dbraw/zinc/67/62/91/1417676291.db2.gz BYSMZENAHRGYGQ-IAGOWNOFSA-N 0 1 392.503 3.031 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc2)oc1C ZINC000145855233 1417702703 /nfs/dbraw/zinc/70/27/03/1417702703.db2.gz MDMQPPVDTYAXKL-LJQANCHMSA-N 0 1 386.496 3.437 20 0 GGADMN COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)C2 ZINC000145880419 1417703003 /nfs/dbraw/zinc/70/30/03/1417703003.db2.gz UXPUCQJOJLHMJE-MJGOQNOKSA-N 0 1 384.476 3.183 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000146018694 1417707046 /nfs/dbraw/zinc/70/70/46/1417707046.db2.gz NSHMTLFIXUDMPN-UHFFFAOYSA-N 0 1 398.532 3.052 20 0 GGADMN C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000146034513 1417708357 /nfs/dbraw/zinc/70/83/57/1417708357.db2.gz UBRRYIQIRVWGND-AWEZNQCLSA-N 0 1 389.546 3.054 20 0 GGADMN CCCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)OC)cc1 ZINC000146230728 1417712915 /nfs/dbraw/zinc/71/29/15/1417712915.db2.gz PLMUHHGWBIDCEO-UHFFFAOYSA-N 0 1 379.434 3.071 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc2c(c1)CCC2 ZINC000146480938 1417721186 /nfs/dbraw/zinc/72/11/86/1417721186.db2.gz SPSNLGBGYDLBPB-MRXNPFEDSA-N 0 1 390.574 3.427 20 0 GGADMN NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000146505667 1417722118 /nfs/dbraw/zinc/72/21/18/1417722118.db2.gz PEJJOTNQSJUPDC-UHFFFAOYSA-N 0 1 394.518 3.183 20 0 GGADMN C[C@H](C(=O)Nc1ccc(NC(=O)c2c(O)cccc2Cl)cc1)n1cncn1 ZINC000147037537 1417737764 /nfs/dbraw/zinc/73/77/64/1417737764.db2.gz KISDOLABYCGDHV-LLVKDONJSA-N 0 1 385.811 3.089 20 0 GGADMN CCOC(=O)N[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1C)C(C)C ZINC000147375878 1417745827 /nfs/dbraw/zinc/74/58/27/1417745827.db2.gz GVLJWBZNDZYICP-SFHVURJKSA-N 0 1 393.553 3.253 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3cscn3)cc2)C[C@H](C)O1 ZINC000147509742 1417748094 /nfs/dbraw/zinc/74/80/94/1417748094.db2.gz CYEAAEDPZLGPIF-IYBDPMFKSA-N 0 1 388.537 3.094 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cnn(C)c2C2CC2)N2CCCCC2)cc1 ZINC000148379685 1417763907 /nfs/dbraw/zinc/76/39/07/1417763907.db2.gz BOYRNNIJADEAGT-FQEVSTJZSA-N 0 1 382.508 3.263 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000178877242 1429207925 /nfs/dbraw/zinc/20/79/25/1429207925.db2.gz VYNIRORUOCEFHU-UHFFFAOYSA-N 0 1 390.402 3.385 20 0 GGADMN Cn1ncc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1C1CC1 ZINC000149524977 1417777113 /nfs/dbraw/zinc/77/71/13/1417777113.db2.gz WUKOQSSZNDPMSD-UHFFFAOYSA-N 0 1 395.507 3.364 20 0 GGADMN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(C(N)=O)cs1 ZINC000149651331 1417778624 /nfs/dbraw/zinc/77/86/24/1417778624.db2.gz OUNSGGLLCAINBJ-NSHDSACASA-N 0 1 395.412 3.123 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4F)n3)nc2)CC1 ZINC000150036079 1417784250 /nfs/dbraw/zinc/78/42/50/1417784250.db2.gz DOFTWXQGIOMXDH-UHFFFAOYSA-N 0 1 397.479 3.348 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc2C)c1 ZINC000150699910 1417789542 /nfs/dbraw/zinc/78/95/42/1417789542.db2.gz OPSMNGGBRUQVDC-SFHVURJKSA-N 0 1 389.521 3.416 20 0 GGADMN CCc1ccc([C@@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000150720956 1417792022 /nfs/dbraw/zinc/79/20/22/1417792022.db2.gz YLZXUWMFVNALOS-VGSWGCGISA-N 0 1 376.504 3.241 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCOC3(CCCCC3)C2)CC1 ZINC000178889341 1429211658 /nfs/dbraw/zinc/21/16/58/1429211658.db2.gz FPPDKIMMTZBYRD-GOSISDBHSA-N 0 1 386.540 3.352 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](CCO)c2ccccc2)CC1 ZINC000178887987 1429211816 /nfs/dbraw/zinc/21/18/16/1429211816.db2.gz MSNSVRVGQQKIFN-RXVVDRJESA-N 0 1 396.535 3.072 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000150838165 1417817430 /nfs/dbraw/zinc/81/74/30/1417817430.db2.gz XMMZUWXIOWDCJP-UHFFFAOYSA-N 0 1 379.382 3.047 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCSc1ccccc1F ZINC000150839147 1417817640 /nfs/dbraw/zinc/81/76/40/1417817640.db2.gz MNZARXCBLMGGIR-UHFFFAOYSA-N 0 1 375.469 3.107 20 0 GGADMN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000150844512 1417818860 /nfs/dbraw/zinc/81/88/60/1417818860.db2.gz RZDFQHTVDPCVET-UHFFFAOYSA-N 0 1 388.471 3.470 20 0 GGADMN Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000150845095 1417819036 /nfs/dbraw/zinc/81/90/36/1417819036.db2.gz GXWLYNRWRDXRBA-UHFFFAOYSA-N 0 1 390.487 3.193 20 0 GGADMN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000150848486 1417820116 /nfs/dbraw/zinc/82/01/16/1417820116.db2.gz QSHMHVGZQCUYPU-ZDUSSCGKSA-N 0 1 389.883 3.215 20 0 GGADMN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000150848520 1417820132 /nfs/dbraw/zinc/82/01/32/1417820132.db2.gz QSHMHVGZQCUYPU-CYBMUJFWSA-N 0 1 389.883 3.215 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000150848866 1417820237 /nfs/dbraw/zinc/82/02/37/1417820237.db2.gz NPRZCCUNFWHSSL-UHFFFAOYSA-N 0 1 391.924 3.372 20 0 GGADMN Cc1cc(OCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)ccc1C(C)C ZINC000150851772 1417820899 /nfs/dbraw/zinc/82/08/99/1417820899.db2.gz BHRFBXDELAMPHJ-UHFFFAOYSA-N 0 1 383.492 3.296 20 0 GGADMN O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000150858767 1417822243 /nfs/dbraw/zinc/82/22/43/1417822243.db2.gz UTMXTGAVAFRKMH-HOTGVXAUSA-N 0 1 378.494 3.292 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCOCc1ccccc1 ZINC000150863059 1417823289 /nfs/dbraw/zinc/82/32/89/1417823289.db2.gz HRRJAYACQNFRQG-UHFFFAOYSA-N 0 1 396.535 3.427 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CC(F)(F)F)CC1 ZINC000150876539 1417826248 /nfs/dbraw/zinc/82/62/48/1417826248.db2.gz HTUFBEHVXXOYSE-UHFFFAOYSA-N 0 1 383.336 3.026 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cccs2)CC1 ZINC000150876714 1417826325 /nfs/dbraw/zinc/82/63/25/1417826325.db2.gz DZQXMXJQYJNNKL-UHFFFAOYSA-N 0 1 383.439 3.449 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@H]2CC=CCC2)CC1 ZINC000150879132 1417826669 /nfs/dbraw/zinc/82/66/69/1417826669.db2.gz FUIPTAUQVWOCFR-HNNXBMFYSA-N 0 1 381.442 3.430 20 0 GGADMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC000150879160 1417827006 /nfs/dbraw/zinc/82/70/06/1417827006.db2.gz FUIPTAUQVWOCFR-OAHLLOKOSA-N 0 1 381.442 3.430 20 0 GGADMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000150893901 1417829254 /nfs/dbraw/zinc/82/92/54/1417829254.db2.gz MJLXZAHYWPGQOK-SFHVURJKSA-N 0 1 377.492 3.315 20 0 GGADMN CC[C@@H](O)CCNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000150912142 1417833592 /nfs/dbraw/zinc/83/35/92/1417833592.db2.gz NGODTOLEMVCFNC-LJQANCHMSA-N 0 1 390.528 3.174 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2cc(F)ccc2O1)N1CCCC1 ZINC000150936906 1417839355 /nfs/dbraw/zinc/83/93/55/1417839355.db2.gz GZNCHATXPFHUHY-WIYYLYMNSA-N 0 1 384.451 3.091 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)N2CCCC2)c1 ZINC000150938919 1417839742 /nfs/dbraw/zinc/83/97/42/1417839742.db2.gz JIQNXBVURSRZLL-CTNGQTDRSA-N 0 1 384.451 3.091 20 0 GGADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CCC(=O)OC(C)(C)C ZINC000150953224 1417842606 /nfs/dbraw/zinc/84/26/06/1417842606.db2.gz LXGOJNPNKXPSTM-CQSZACIVSA-N 0 1 391.537 3.307 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)CCC(=O)OC(C)(C)C ZINC000150953185 1417842672 /nfs/dbraw/zinc/84/26/72/1417842672.db2.gz LXGOJNPNKXPSTM-AWEZNQCLSA-N 0 1 391.537 3.307 20 0 GGADMN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000150968838 1417845283 /nfs/dbraw/zinc/84/52/83/1417845283.db2.gz LPSAPTBEJKEKOY-APWZRJJASA-N 0 1 383.521 3.053 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CCC[C@H]2OC)CC1 ZINC000150974240 1417846578 /nfs/dbraw/zinc/84/65/78/1417846578.db2.gz ANAIDJMIBFWVRM-CRAIPNDOSA-N 0 1 380.920 3.171 20 0 GGADMN Cn1nc(C2CCCCC2)cc1NC(=O)c1ccccc1NS(C)(=O)=O ZINC000151003895 1417853550 /nfs/dbraw/zinc/85/35/50/1417853550.db2.gz ZIPQCIVGKGCHHE-UHFFFAOYSA-N 0 1 376.482 3.092 20 0 GGADMN COc1cccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)CC2)c1 ZINC000151019995 1417856518 /nfs/dbraw/zinc/85/65/18/1417856518.db2.gz SXHGWJGEPZNXEZ-UHFFFAOYSA-N 0 1 380.423 3.187 20 0 GGADMN CCN(CC)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000151029798 1417858637 /nfs/dbraw/zinc/85/86/37/1417858637.db2.gz FERJISOIDZLMJT-HNNXBMFYSA-N 0 1 392.546 3.137 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000151047808 1417861598 /nfs/dbraw/zinc/86/15/98/1417861598.db2.gz UBWTXPSOIHQXKS-UHFFFAOYSA-N 0 1 387.436 3.252 20 0 GGADMN CN(Cc1cnn(C)c1C(F)(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000151081633 1417869028 /nfs/dbraw/zinc/86/90/28/1417869028.db2.gz AJGDOLBSHLATOI-CQSZACIVSA-N 0 1 388.459 3.006 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)N(C)C ZINC000151082309 1417869050 /nfs/dbraw/zinc/86/90/50/1417869050.db2.gz UCAJFWGPONURGO-SFHVURJKSA-N 0 1 375.494 3.075 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN([C@@H](C)CCc2ccccc2)CC1 ZINC000178902034 1429215968 /nfs/dbraw/zinc/21/59/68/1429215968.db2.gz ZBFIZLWSNLQIGO-IBGZPJMESA-N 0 1 381.520 3.273 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H](C)c2nccs2)c1-c1nnn[n-]1 ZINC000826332373 1429215972 /nfs/dbraw/zinc/21/59/72/1429215972.db2.gz RVXCMYSRJPSYPC-ZDUSSCGKSA-N 0 1 394.508 3.053 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H](C)c2nccs2)c1-c1nn[n-]n1 ZINC000826332373 1429215978 /nfs/dbraw/zinc/21/59/78/1429215978.db2.gz RVXCMYSRJPSYPC-ZDUSSCGKSA-N 0 1 394.508 3.053 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H](C)c2nccs2)c1-c1nn[n-]n1 ZINC000826332373 1429215983 /nfs/dbraw/zinc/21/59/83/1429215983.db2.gz RVXCMYSRJPSYPC-ZDUSSCGKSA-N 0 1 394.508 3.053 20 0 GGADMN COc1cccc(CNC(=O)CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000151100448 1417872099 /nfs/dbraw/zinc/87/20/99/1417872099.db2.gz SVQPYNGYDYMRSA-UHFFFAOYSA-N 0 1 390.415 3.167 20 0 GGADMN COc1cc(OC)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1F ZINC000151102439 1417872552 /nfs/dbraw/zinc/87/25/52/1417872552.db2.gz HGFGWGMYDIJMOB-OAHLLOKOSA-N 0 1 377.416 3.395 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151115970 1417875508 /nfs/dbraw/zinc/87/55/08/1417875508.db2.gz DPAYCVHUJFFWFS-SNVBAGLBSA-N 0 1 392.435 3.220 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc1Cc1ccccc1 ZINC000151118158 1417875875 /nfs/dbraw/zinc/87/58/75/1417875875.db2.gz JYMYDYFCAZLYRI-IPELMVKDSA-N 0 1 385.533 3.331 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc1Cc1ccccc1 ZINC000151118249 1417875959 /nfs/dbraw/zinc/87/59/59/1417875959.db2.gz JYMYDYFCAZLYRI-LZQZEXGQSA-N 0 1 385.533 3.331 20 0 GGADMN O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)N1CCc2sccc2C1 ZINC000151119676 1417876399 /nfs/dbraw/zinc/87/63/99/1417876399.db2.gz UBWPJNUTWFZABJ-UHFFFAOYSA-N 0 1 392.456 3.488 20 0 GGADMN CC(C)[C@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000151123999 1417876956 /nfs/dbraw/zinc/87/69/56/1417876956.db2.gz HVXXNNVKBGYVRB-GJZGRUSLSA-N 0 1 396.463 3.162 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000151123249 1417877107 /nfs/dbraw/zinc/87/71/07/1417877107.db2.gz OHQXASRBLMVZKK-GOSISDBHSA-N 0 1 387.553 3.035 20 0 GGADMN CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000151123302 1417877154 /nfs/dbraw/zinc/87/71/54/1417877154.db2.gz OHQXASRBLMVZKK-SFHVURJKSA-N 0 1 387.553 3.035 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000178915203 1429219179 /nfs/dbraw/zinc/21/91/79/1429219179.db2.gz WMIOGPRBWUKURU-ROUUACIJSA-N 0 1 391.512 3.181 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCO[C@](C)(c3ccccc3)C2)N(C)C)c1 ZINC000151146006 1417881753 /nfs/dbraw/zinc/88/17/53/1417881753.db2.gz RMOJGAGHMOULFN-GMAHTHKFSA-N 0 1 397.519 3.255 20 0 GGADMN Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN([C@H](C)c3ccncc3)CC1)CO2 ZINC000151152836 1417883223 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CCCN1CCN(c2ccc(NC(=O)NC[C@@H](O)C(C)C)cc2Cl)CC1 ZINC000151197687 1417892385 /nfs/dbraw/zinc/89/23/85/1417892385.db2.gz DVEGQVJGAOJYNR-GOSISDBHSA-N 0 1 382.936 3.010 20 0 GGADMN O=c1cc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)nc2sccn21 ZINC000151207879 1417894032 /nfs/dbraw/zinc/89/40/32/1417894032.db2.gz UCQQALAKAMLHEO-UHFFFAOYSA-N 0 1 381.486 3.322 20 0 GGADMN Cc1cc([C@H](C)NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)o1 ZINC000151212651 1417894799 /nfs/dbraw/zinc/89/47/99/1417894799.db2.gz LSNFVFCVZDDWFZ-LDQXTDLNSA-N 0 1 385.508 3.140 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc2c([nH]c1=O)CCCCC2 ZINC000151218532 1417895901 /nfs/dbraw/zinc/89/59/01/1417895901.db2.gz QAFDBLLAFFRXJQ-IBGZPJMESA-N 0 1 383.492 3.194 20 0 GGADMN COc1cc(CNC(=O)[C@H]2NCCc3ccccc32)ccc1OCC(F)(F)F ZINC000151225517 1417897041 /nfs/dbraw/zinc/89/70/41/1417897041.db2.gz BMJLHNQREXWNKE-SFHVURJKSA-N 0 1 394.393 3.140 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000151231140 1417898438 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3.297 20 0 GGADMN C[C@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccn1 ZINC000151315781 1417924331 /nfs/dbraw/zinc/92/43/31/1417924331.db2.gz NEESSNVINNQNML-INIZCTEOSA-N 0 1 375.900 3.297 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000178914922 1429218519 /nfs/dbraw/zinc/21/85/19/1429218519.db2.gz PPVUTJMQVSLXKN-CVEARBPZSA-N 0 1 381.542 3.116 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1OCC(F)F ZINC000151378996 1417941858 /nfs/dbraw/zinc/94/18/58/1417941858.db2.gz QROVOFRYVBGJJN-MRXNPFEDSA-N 0 1 397.466 3.215 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCCOc3ncccc3C(F)(F)F)[nH]c21 ZINC000151392389 1417946535 /nfs/dbraw/zinc/94/65/35/1417946535.db2.gz CHUKJMYAAMIRGH-UHFFFAOYSA-N 0 1 392.381 3.413 20 0 GGADMN CC(C)[C@@H](O)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000151397693 1417948795 /nfs/dbraw/zinc/94/87/95/1417948795.db2.gz YACYUSSGROZELG-IBGZPJMESA-N 0 1 390.528 3.030 20 0 GGADMN CCOC(=O)C1(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000178929295 1429223188 /nfs/dbraw/zinc/22/31/88/1429223188.db2.gz WEGRBORGWFHNOX-UHFFFAOYSA-N 0 1 376.416 3.421 20 0 GGADMN CCOC(=O)C1(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000178929295 1429223192 /nfs/dbraw/zinc/22/31/92/1429223192.db2.gz WEGRBORGWFHNOX-UHFFFAOYSA-N 0 1 376.416 3.421 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000151426150 1417962900 /nfs/dbraw/zinc/96/29/00/1417962900.db2.gz XPRFWFGEODMXHY-CYBMUJFWSA-N 0 1 389.393 3.421 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000151432055 1417966403 /nfs/dbraw/zinc/96/64/03/1417966403.db2.gz OHRJBUPTWZTGHN-IBGZPJMESA-N 0 1 377.460 3.188 20 0 GGADMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039791 1429224883 /nfs/dbraw/zinc/22/48/83/1429224883.db2.gz HVUFQCVJTXPZAK-IXDOHACOSA-N 0 1 394.523 3.134 20 0 GGADMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824039791 1429224893 /nfs/dbraw/zinc/22/48/93/1429224893.db2.gz HVUFQCVJTXPZAK-IXDOHACOSA-N 0 1 394.523 3.134 20 0 GGADMN CC(C)OCc1ccc(CNC(=O)CONC(=O)C(C)(C)c2ccccc2)cc1 ZINC000151460526 1417981462 /nfs/dbraw/zinc/98/14/62/1417981462.db2.gz UFWFYPCIZWDFHX-UHFFFAOYSA-N 0 1 398.503 3.253 20 0 GGADMN CCN(CC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1)C1CC1 ZINC000151474362 1417990114 /nfs/dbraw/zinc/99/01/14/1417990114.db2.gz DWFSIIRGPTYZCU-UHFFFAOYSA-N 0 1 379.504 3.026 20 0 GGADMN C[C@]1(CO)CCCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000151521327 1418012191 /nfs/dbraw/zinc/01/21/91/1418012191.db2.gz KOCGVRPXCJVOBY-IBGZPJMESA-N 0 1 384.442 3.291 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(-c3ccccc3Cl)[nH]n1)CC2 ZINC000151526401 1418013623 /nfs/dbraw/zinc/01/36/23/1418013623.db2.gz PYSMHKKAVHCSOH-QZTJIDSGSA-N 0 1 389.883 3.122 20 0 GGADMN CCN(CC(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1)C1CC1 ZINC000151531103 1418014926 /nfs/dbraw/zinc/01/49/26/1418014926.db2.gz XZPUGDPGWCBQHO-INIZCTEOSA-N 0 1 383.492 3.331 20 0 GGADMN O=C(c1n[nH]cc1Br)N(CCc1ccccc1)Cc1cccnc1 ZINC000151533115 1418015861 /nfs/dbraw/zinc/01/58/61/1418015861.db2.gz YMXXCTIYEUHURZ-UHFFFAOYSA-N 0 1 385.265 3.452 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2ccc(OC(C)C)c(OC)c2)C1=O ZINC000151536551 1418016682 /nfs/dbraw/zinc/01/66/82/1418016682.db2.gz MYRYPVVQBFWPDR-KRWDZBQOSA-N 0 1 384.476 3.386 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cc(OC)c(OC)cc2C)C1=O ZINC000151541038 1418018581 /nfs/dbraw/zinc/01/85/81/1418018581.db2.gz QYSIDSOAJMBJRI-NVXWUHKLSA-N 0 1 384.476 3.477 20 0 GGADMN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000151563168 1418026145 /nfs/dbraw/zinc/02/61/45/1418026145.db2.gz MWDQNQMCWJOBMV-FXAWDEMLSA-N 0 1 395.551 3.135 20 0 GGADMN COCCN(Cc1ccc(C)o1)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000151574665 1418029722 /nfs/dbraw/zinc/02/97/22/1418029722.db2.gz TYSGMLYYWMELJA-LJQANCHMSA-N 0 1 389.496 3.485 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000151579558 1418030937 /nfs/dbraw/zinc/03/09/37/1418030937.db2.gz OWUQGFQBGUKVEY-AQNXPRMDSA-N 0 1 375.488 3.047 20 0 GGADMN CC[C@](C)(CC(=O)OC)NCc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000151600404 1418036710 /nfs/dbraw/zinc/03/67/10/1418036710.db2.gz SWTXOSRHYMPFIC-LJQANCHMSA-N 0 1 376.478 3.418 20 0 GGADMN COC(=O)c1cc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c(C)s1 ZINC000151604750 1418037609 /nfs/dbraw/zinc/03/76/09/1418037609.db2.gz HCTGLUGONIENJH-HNNXBMFYSA-N 0 1 387.505 3.397 20 0 GGADMN COC(=O)c1ccc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1F ZINC000151605197 1418038310 /nfs/dbraw/zinc/03/83/10/1418038310.db2.gz UNKZHEGEHHFQPC-INIZCTEOSA-N 0 1 385.439 3.166 20 0 GGADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000151613034 1418040580 /nfs/dbraw/zinc/04/05/80/1418040580.db2.gz SSBCIPSKCZODGV-UHFFFAOYSA-N 0 1 391.406 3.115 20 0 GGADMN Oc1cccc(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)c1 ZINC000151616479 1418040859 /nfs/dbraw/zinc/04/08/59/1418040859.db2.gz HTIITMNHKIUZLB-UHFFFAOYSA-N 0 1 376.884 3.046 20 0 GGADMN CCCC[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(OC)cc1 ZINC000151623699 1418043429 /nfs/dbraw/zinc/04/34/29/1418043429.db2.gz AHMSBZCLSFOTMS-IBGZPJMESA-N 0 1 377.529 3.025 20 0 GGADMN COC(=O)[C@@H](c1cccnc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000151627162 1418044594 /nfs/dbraw/zinc/04/45/94/1418044594.db2.gz GEDZLCYALJZPGV-JOCHJYFZSA-N 0 1 375.472 3.267 20 0 GGADMN CCOCc1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1 ZINC000151630653 1418045106 /nfs/dbraw/zinc/04/51/06/1418045106.db2.gz KODIAOFOCWILIO-OAHLLOKOSA-N 0 1 377.506 3.486 20 0 GGADMN COCCC1(CNC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000151637270 1418046913 /nfs/dbraw/zinc/04/69/13/1418046913.db2.gz PRLVCMNYWXHMCJ-UHFFFAOYSA-N 0 1 381.520 3.484 20 0 GGADMN COC[C@H](N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000151653085 1418051247 /nfs/dbraw/zinc/05/12/47/1418051247.db2.gz JKCNDWGCYAXUKP-SFTDATJTSA-N 0 1 389.517 3.203 20 0 GGADMN O=C(CN1CCC[C@@H]1C[C@H](O)c1ccco1)N1CCc2[nH]c3ccccc3c2C1 ZINC000151659114 1418052510 /nfs/dbraw/zinc/05/25/10/1418052510.db2.gz UCIOUBRMGOESEB-IERDGZPVSA-N 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CC(C)[C@@H](NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1 ZINC000152210829 1418173985 /nfs/dbraw/zinc/17/39/85/1418173985.db2.gz UWYKAKCYFTVAMR-AZUAARDMSA-N 0 1 381.524 3.375 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCN(C)c2ccccc2)CC1 ZINC000152212745 1418174782 /nfs/dbraw/zinc/17/47/82/1418174782.db2.gz ZOFJUKYZDFLPOA-GOSISDBHSA-N 0 1 381.524 3.043 20 0 GGADMN C[C@H](C(=O)NCc1cccc(N(C)C)n1)N1CCC(Cc2ccccc2)CC1 ZINC000152212675 1418174932 /nfs/dbraw/zinc/17/49/32/1418174932.db2.gz IAFPQLSYXXCVOQ-GOSISDBHSA-N 0 1 380.536 3.107 20 0 GGADMN C[C@@H](N[C@@H]1CCCc2occc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152241766 1418181933 /nfs/dbraw/zinc/18/19/33/1418181933.db2.gz DGKBYPSGKXNCPK-DNVCBOLYSA-N 0 1 390.505 3.029 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CCN1c1ccccc1Cl ZINC000152252317 1418184619 /nfs/dbraw/zinc/18/46/19/1418184619.db2.gz DLPPBXXDFHJRJZ-YOEHRIQHSA-N 0 1 385.899 3.320 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCN1c1ccccc1Cl ZINC000152252317 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0 1 390.915 3.440 20 0 GGADMN Cc1ccc(-c2noc(CCCN(CCS(C)(=O)=O)C(C)(C)C)n2)cc1F ZINC000152276851 1418192259 /nfs/dbraw/zinc/19/22/59/1418192259.db2.gz DVWLTTNAEOMCTH-UHFFFAOYSA-N 0 1 397.516 3.262 20 0 GGADMN COCCCn1c(C)cc(C(=O)CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1C ZINC000152288264 1418195697 /nfs/dbraw/zinc/19/56/97/1418195697.db2.gz FIYHYFZSVGIQNB-GOSISDBHSA-N 0 1 399.539 3.199 20 0 GGADMN COCCCn1c(C)cc(C(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000152288264 1418195700 /nfs/dbraw/zinc/19/57/00/1418195700.db2.gz FIYHYFZSVGIQNB-GOSISDBHSA-N 0 1 399.539 3.199 20 0 GGADMN COCCCn1c(C)cc(C(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C ZINC000152288177 1418195795 /nfs/dbraw/zinc/19/57/95/1418195795.db2.gz FIYHYFZSVGIQNB-SFHVURJKSA-N 0 1 399.539 3.199 20 0 GGADMN COCCCn1c(C)cc(C(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000152288177 1418195802 /nfs/dbraw/zinc/19/58/02/1418195802.db2.gz FIYHYFZSVGIQNB-SFHVURJKSA-N 0 1 399.539 3.199 20 0 GGADMN Cc1ccc(-n2cc(CNCC(C)(C)S(C)(=O)=O)c(C(C)(C)C)n2)cc1 ZINC000152294162 1418197530 /nfs/dbraw/zinc/19/75/30/1418197530.db2.gz DLDZWMLPGQFHIC-UHFFFAOYSA-N 0 1 377.554 3.391 20 0 GGADMN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000152299176 1418198361 /nfs/dbraw/zinc/19/83/61/1418198361.db2.gz LSLWXSUWRNPHQW-FQEVSTJZSA-N 0 1 396.466 3.490 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(F)cc1Cl ZINC000152298655 1418198478 /nfs/dbraw/zinc/19/84/78/1418198478.db2.gz XRJQOHZJFIVHEB-LBPRGKRZSA-N 0 1 377.851 3.293 20 0 GGADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(F)cc1Cl ZINC000152298655 1418198483 /nfs/dbraw/zinc/19/84/83/1418198483.db2.gz XRJQOHZJFIVHEB-LBPRGKRZSA-N 0 1 377.851 3.293 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000179004713 1429241033 /nfs/dbraw/zinc/24/10/33/1429241033.db2.gz QCFVCZRVFMYHGQ-UHFFFAOYSA-N 0 1 382.386 3.153 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc3c2OCCO3)CC1 ZINC000179017078 1429243272 /nfs/dbraw/zinc/24/32/72/1429243272.db2.gz OSMWFJUYRNLHGT-OAHLLOKOSA-N 0 1 382.464 3.200 20 0 GGADMN CCNC(=O)C(C)(C)CNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000179018558 1429244025 /nfs/dbraw/zinc/24/40/25/1429244025.db2.gz ZHUUVXVEVGJGPD-UHFFFAOYSA-N 0 1 381.520 3.211 20 0 GGADMN CCOC(=O)NCCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000179043982 1429249053 /nfs/dbraw/zinc/24/90/53/1429249053.db2.gz ULYIMRDFPVQIIG-FQEVSTJZSA-N 0 1 380.448 3.295 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)C[C@@H]2CSCCS2)CC1 ZINC000179055120 1429251225 /nfs/dbraw/zinc/25/12/25/1429251225.db2.gz WZKVEWTWEVFIQQ-CQSZACIVSA-N 0 1 385.986 3.269 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432990 1429257273 /nfs/dbraw/zinc/25/72/73/1429257273.db2.gz UURHMATVBFGFJD-HNNXBMFYSA-N 0 1 376.464 3.234 20 0 GGADMN Cc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1Br ZINC000180651776 1429956505 /nfs/dbraw/zinc/95/65/05/1429956505.db2.gz XUDLIUHKMVPJLS-RDJZCZTQSA-N 0 1 378.314 3.437 20 0 GGADMN COc1c(C)ccc(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1C ZINC000179113809 1429266671 /nfs/dbraw/zinc/26/66/71/1429266671.db2.gz LFRHDWMACGWCIY-MOPGFXCFSA-N 0 1 383.492 3.069 20 0 GGADMN CCn1cc(C(=O)C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cn1 ZINC000179111213 1429265454 /nfs/dbraw/zinc/26/54/54/1429265454.db2.gz JPCNHWUNROMTDZ-UHFFFAOYSA-N 0 1 391.406 3.331 20 0 GGADMN C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000820659451 1429267157 /nfs/dbraw/zinc/26/71/57/1429267157.db2.gz XIHMXQFIRNLRTB-QFBILLFUSA-N 0 1 394.498 3.491 20 0 GGADMN COC(=O)C[C@H]1CCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000179142156 1429276036 /nfs/dbraw/zinc/27/60/36/1429276036.db2.gz TYFNLFFHOMNYJP-VGSWGCGISA-N 0 1 398.528 3.250 20 0 GGADMN COC(=O)C[C@H]1CCCN1CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000179142126 1429276134 /nfs/dbraw/zinc/27/61/34/1429276134.db2.gz CZBADTRMRVJNHZ-UYAOXDASSA-N 0 1 388.508 3.166 20 0 GGADMN COC(=O)C[C@@H]1CCCN1CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000179151335 1429279034 /nfs/dbraw/zinc/27/90/34/1429279034.db2.gz REQXCOLDCWSSAU-FQEVSTJZSA-N 0 1 380.488 3.262 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000736682873 1429280619 /nfs/dbraw/zinc/28/06/19/1429280619.db2.gz BPFXSCLIJTWKGR-CQSZACIVSA-N 0 1 386.481 3.249 20 0 GGADMN COc1ccccc1OC[C@H](C)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000179166463 1429283013 /nfs/dbraw/zinc/28/30/13/1429283013.db2.gz RSKULIDHRAECPH-CVEARBPZSA-N 0 1 391.537 3.374 20 0 GGADMN COC(=O)C[C@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000179170075 1429284747 /nfs/dbraw/zinc/28/47/47/1429284747.db2.gz LAVZJVKGQSIULZ-QZTJIDSGSA-N 0 1 393.915 3.214 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cn1 ZINC000825953736 1429298605 /nfs/dbraw/zinc/29/86/05/1429298605.db2.gz OGKNHMRCGBZDAT-QGZVFWFLSA-N 0 1 383.456 3.022 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cn1 ZINC000825953736 1429298610 /nfs/dbraw/zinc/29/86/10/1429298610.db2.gz OGKNHMRCGBZDAT-QGZVFWFLSA-N 0 1 383.456 3.022 20 0 GGADMN COC(=O)c1c(F)cccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000179223855 1429298856 /nfs/dbraw/zinc/29/88/56/1429298856.db2.gz OPCGIVUQXIVCGS-UHFFFAOYSA-N 0 1 385.439 3.352 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCCN1CC ZINC000179228447 1429300302 /nfs/dbraw/zinc/30/03/02/1429300302.db2.gz CATMCJLBTUIXDV-INIZCTEOSA-N 0 1 385.430 3.367 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2cc(-c3nnn[n-]3)cs2)C[C@H]2CCCO2)cc1 ZINC000826287351 1429301415 /nfs/dbraw/zinc/30/14/15/1429301415.db2.gz LRVJVUIONVRKGY-GOSISDBHSA-N 0 1 383.521 3.460 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)n(C)n1 ZINC000179247567 1429304884 /nfs/dbraw/zinc/30/48/84/1429304884.db2.gz CLXMWTSBIYFDOD-SUMWQHHRSA-N 0 1 379.867 3.336 20 0 GGADMN Cn1c2cccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2oc1=O ZINC000179268510 1429309076 /nfs/dbraw/zinc/30/90/76/1429309076.db2.gz AIBHNJACHAQKQI-INIZCTEOSA-N 0 1 378.388 3.112 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000179274579 1429310937 /nfs/dbraw/zinc/31/09/37/1429310937.db2.gz KHXPRUQMSDCXQU-QHCPKHFHSA-N 0 1 388.515 3.221 20 0 GGADMN CC(C)C(=O)NCCCNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000179282462 1429313190 /nfs/dbraw/zinc/31/31/90/1429313190.db2.gz HIICJCKQEFLYAN-UHFFFAOYSA-N 0 1 381.520 3.211 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1CN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000826168789 1429323728 /nfs/dbraw/zinc/32/37/28/1429323728.db2.gz YOXPSTTVTQYBEE-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000826168789 1429323731 /nfs/dbraw/zinc/32/37/31/1429323731.db2.gz YOXPSTTVTQYBEE-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000826168789 1429323735 /nfs/dbraw/zinc/32/37/35/1429323735.db2.gz YOXPSTTVTQYBEE-MGPUTAFESA-N 0 1 379.464 3.146 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(-c2ccccc2)[nH]1 ZINC000179318489 1429327356 /nfs/dbraw/zinc/32/73/56/1429327356.db2.gz FXMKOWYMOLEEGR-WOJBJXKFSA-N 0 1 375.472 3.047 20 0 GGADMN CCn1cc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c2ccccc21 ZINC000179320001 1429327806 /nfs/dbraw/zinc/32/78/06/1429327806.db2.gz CSXIZUNARUBNON-OALUTQOASA-N 0 1 377.488 3.026 20 0 GGADMN CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179322325 1429328413 /nfs/dbraw/zinc/32/84/13/1429328413.db2.gz HISBXOPGAYGOGF-KRWDZBQOSA-N 0 1 378.432 3.164 20 0 GGADMN Cc1nc2cc(F)cc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2nc1C ZINC000179327567 1429329998 /nfs/dbraw/zinc/32/99/98/1429329998.db2.gz HJDGDURTOJFUJR-AWEZNQCLSA-N 0 1 394.454 3.401 20 0 GGADMN CCc1[nH+]ccn1Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000825755380 1429330405 /nfs/dbraw/zinc/33/04/05/1429330405.db2.gz WPQQYYPYUSDBJK-UHFFFAOYSA-N 0 1 390.447 3.262 20 0 GGADMN COc1nc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc2ccccc21 ZINC000179331475 1429330973 /nfs/dbraw/zinc/33/09/73/1429330973.db2.gz NKAMZGLVSYKUTL-HNNXBMFYSA-N 0 1 377.448 3.259 20 0 GGADMN CCCCNC(=O)C1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000179329991 1429330991 /nfs/dbraw/zinc/33/09/91/1429330991.db2.gz MRBRWGYHDSUDII-UHFFFAOYSA-N 0 1 376.451 3.483 20 0 GGADMN O=C(COc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179332558 1429331819 /nfs/dbraw/zinc/33/18/19/1429331819.db2.gz AFFASIRYUPIGCW-CYBMUJFWSA-N 0 1 394.397 3.486 20 0 GGADMN Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000179335145 1429332589 /nfs/dbraw/zinc/33/25/89/1429332589.db2.gz GLTICMDJXRKJPL-AWEZNQCLSA-N 0 1 395.507 3.494 20 0 GGADMN Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1F ZINC000179335333 1429333389 /nfs/dbraw/zinc/33/33/89/1429333389.db2.gz PVHYNBVSPLLNIQ-OAHLLOKOSA-N 0 1 394.454 3.335 20 0 GGADMN O=C(COc1ccc2c(c1)CCCC2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179336413 1429333482 /nfs/dbraw/zinc/33/34/82/1429333482.db2.gz YLSBIGWXOCVFNG-SFHVURJKSA-N 0 1 380.492 3.346 20 0 GGADMN COCCO[C@H]1CCCN([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000179335853 1429333568 /nfs/dbraw/zinc/33/35/68/1429333568.db2.gz HRYJOWAGAZRLOP-KNQAVFIVSA-N 0 1 396.531 3.408 20 0 GGADMN CCOc1cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc(Cl)c1OC ZINC000179340429 1429335942 /nfs/dbraw/zinc/33/59/42/1429335942.db2.gz FSTXRFZLGMHUDH-MRXNPFEDSA-N 0 1 380.916 3.486 20 0 GGADMN COc1ccc(C(=O)CCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179343993 1429336348 /nfs/dbraw/zinc/33/63/48/1429336348.db2.gz JXTKWFWRWMBNEB-KRWDZBQOSA-N 0 1 396.491 3.450 20 0 GGADMN COCCCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179342117 1429336389 /nfs/dbraw/zinc/33/63/89/1429336389.db2.gz HGWKAKLAENPSCI-QGZVFWFLSA-N 0 1 384.480 3.117 20 0 GGADMN O=C(N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000179344119 1429336431 /nfs/dbraw/zinc/33/64/31/1429336431.db2.gz CBMKBVGWLWIQPD-INIZCTEOSA-N 0 1 398.482 3.276 20 0 GGADMN O=C(CSc1nc2ccccc2o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179342988 1429336580 /nfs/dbraw/zinc/33/65/80/1429336580.db2.gz OKNCBCGKGCHHDF-ZDUSSCGKSA-N 0 1 383.477 3.322 20 0 GGADMN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179344303 1429336903 /nfs/dbraw/zinc/33/69/03/1429336903.db2.gz UDKHFAXSIHVQJF-AWEZNQCLSA-N 0 1 381.436 3.187 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179346738 1429337466 /nfs/dbraw/zinc/33/74/66/1429337466.db2.gz JYDXOTOYGWGDGX-CVTTXWKISA-N 0 1 376.464 3.374 20 0 GGADMN CC(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179349748 1429339287 /nfs/dbraw/zinc/33/92/87/1429339287.db2.gz PSBIFSVYSPGYRL-MRXNPFEDSA-N 0 1 381.480 3.296 20 0 GGADMN CCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OCC ZINC000179351546 1429339794 /nfs/dbraw/zinc/33/97/94/1429339794.db2.gz GPLDZBGBQGILKK-MRXNPFEDSA-N 0 1 384.480 3.499 20 0 GGADMN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c12 ZINC000179358741 1429342491 /nfs/dbraw/zinc/34/24/91/1429342491.db2.gz OHMONSDNSCJGNW-AWEZNQCLSA-N 0 1 392.463 3.424 20 0 GGADMN COc1cc(C=CC(=O)N2CCCC[C@H]2c2nnc[nH]2)ccc1OC(F)F ZINC000179355012 1429340984 /nfs/dbraw/zinc/34/09/84/1429340984.db2.gz KGUSGRJUKOAADX-CFNZNRNTSA-N 0 1 378.379 3.182 20 0 GGADMN COc1ccc(C(=O)N2CCN(C[C@H]3CCC[C@H](C)C3)CC2)c(OC)c1OC ZINC000179357686 1429342560 /nfs/dbraw/zinc/34/25/60/1429342560.db2.gz WVGNNRACMXHLNC-IRXDYDNUSA-N 0 1 390.524 3.297 20 0 GGADMN COc1ccc(OC)c(CCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179359007 1429342337 /nfs/dbraw/zinc/34/23/37/1429342337.db2.gz JXVHANBVWZVPQE-INIZCTEOSA-N 0 1 384.480 3.038 20 0 GGADMN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179346760 1429337630 /nfs/dbraw/zinc/33/76/30/1429337630.db2.gz NZCCEQDZSQGNRC-QFBILLFUSA-N 0 1 389.459 3.065 20 0 GGADMN Brc1ccc(-n2cc(CN3CCC(C4OCCO4)CC3)cn2)cc1 ZINC000179359982 1429343001 /nfs/dbraw/zinc/34/30/01/1429343001.db2.gz CHMPTZDMZJQEHR-UHFFFAOYSA-N 0 1 392.297 3.220 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2CCC(C)C)c(-c2nnn[n-]2)c1C ZINC000822558008 1429344197 /nfs/dbraw/zinc/34/41/97/1429344197.db2.gz LKONGYCRXZREHY-CQSZACIVSA-N 0 1 376.530 3.384 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000179363602 1429344817 /nfs/dbraw/zinc/34/48/17/1429344817.db2.gz JHRFHRHQANGDCG-NRFANRHFSA-N 0 1 395.503 3.026 20 0 GGADMN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179363735 1429345656 /nfs/dbraw/zinc/34/56/56/1429345656.db2.gz GXJNHASNRHYPMZ-SFHVURJKSA-N 0 1 389.459 3.261 20 0 GGADMN O=C(C=Cc1ccc(-n2ccnc2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179367656 1429347656 /nfs/dbraw/zinc/34/76/56/1429347656.db2.gz ZSFKMELOSYXGQU-DNXKIMQPSA-N 0 1 388.475 3.287 20 0 GGADMN Brc1ccc(-c2c[nH]c(CN3CCC[C@H](C4OCCO4)C3)n2)cc1 ZINC000179371822 1429348131 /nfs/dbraw/zinc/34/81/31/1429348131.db2.gz HVZMGUGLEAQVJD-AWEZNQCLSA-N 0 1 392.297 3.424 20 0 GGADMN Brc1ccc(-c2c[nH]c(CN3CCC[C@@H](C4OCCO4)C3)n2)cc1 ZINC000179371839 1429348439 /nfs/dbraw/zinc/34/84/39/1429348439.db2.gz HVZMGUGLEAQVJD-CQSZACIVSA-N 0 1 392.297 3.424 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CCO1 ZINC000179385447 1429353196 /nfs/dbraw/zinc/35/31/96/1429353196.db2.gz WBUGNWFAGCMWQY-VQTJNVASSA-N 0 1 375.513 3.043 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCCCOc2cccc3cccnc32)[nH+]1 ZINC000737241489 1429353951 /nfs/dbraw/zinc/35/39/51/1429353951.db2.gz RDSADXBLCLHXIX-UHFFFAOYSA-N 0 1 375.436 3.308 20 0 GGADMN Cc1cccc(C2=CCN(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)CC2)c1 ZINC000179398068 1429358764 /nfs/dbraw/zinc/35/87/64/1429358764.db2.gz LSSOHIRUPFZPHB-UHFFFAOYSA-N 0 1 392.503 3.477 20 0 GGADMN CCOc1cc(CN2CCCO[C@H](C)C2)ccc1OCC(=O)N1CCCCC1 ZINC000179398332 1429359292 /nfs/dbraw/zinc/35/92/92/1429359292.db2.gz SEAXGHNKSFSTBQ-GOSISDBHSA-N 0 1 390.524 3.087 20 0 GGADMN Cc1cccc2c(N[C@@H](C)C[C@H](O)c3cccs3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826304301 1429366794 /nfs/dbraw/zinc/36/67/94/1429366794.db2.gz GFPBCIPGYWOYEX-WFASDCNBSA-N 0 1 380.477 3.131 20 0 GGADMN CC[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1cc(C)ccc1OC ZINC000179423438 1429369542 /nfs/dbraw/zinc/36/95/42/1429369542.db2.gz WISJGPPLALLIBQ-FQEVSTJZSA-N 0 1 396.535 3.341 20 0 GGADMN O=C1[C@@H](NCc2cccc3nccn32)CCN1c1cccc(OC(F)(F)F)c1 ZINC000179426118 1429371013 /nfs/dbraw/zinc/37/10/13/1429371013.db2.gz HCBNPLKGEFHCKU-INIZCTEOSA-N 0 1 390.365 3.128 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000179429992 1429372683 /nfs/dbraw/zinc/37/26/83/1429372683.db2.gz QLUYUNAICKCBBW-UHFFFAOYSA-N 0 1 390.392 3.377 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C(=O)CNC1(c2ccccc2)CCC1 ZINC000179430463 1429372984 /nfs/dbraw/zinc/37/29/84/1429372984.db2.gz KKCWCOREFLRDNG-UHFFFAOYSA-N 0 1 397.544 3.474 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccccc3CN3CCC(O)CC3)n[nH]2)o1 ZINC000179433696 1429374248 /nfs/dbraw/zinc/37/42/48/1429374248.db2.gz NUTMKCRXURDRKV-UHFFFAOYSA-N 0 1 380.448 3.187 20 0 GGADMN c1nc(N2CCOCC2)sc1CN1CCC(OCCc2ccccc2)CC1 ZINC000179434071 1429374572 /nfs/dbraw/zinc/37/45/72/1429374572.db2.gz MXHVDYUDZAFNJK-UHFFFAOYSA-N 0 1 387.549 3.203 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cnn(Cc4ccccc4)c3)C2)nc1 ZINC000179444323 1429378578 /nfs/dbraw/zinc/37/85/78/1429378578.db2.gz LJOZINPLJARTDW-OAQYLSRUSA-N 0 1 389.503 3.486 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 ZINC000179445588 1429379320 /nfs/dbraw/zinc/37/93/20/1429379320.db2.gz UQOPGWRGVAYQJO-HXUWFJFHSA-N 0 1 385.552 3.101 20 0 GGADMN Cc1cccc([C@@H](NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c2ccccn2)c1 ZINC000179458047 1429382997 /nfs/dbraw/zinc/38/29/97/1429382997.db2.gz OVEVUOYPAPKJCW-IFMALSPDSA-N 0 1 396.535 3.135 20 0 GGADMN Cc1cccc([C@H](NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c2ccccn2)c1 ZINC000179458058 1429383312 /nfs/dbraw/zinc/38/33/12/1429383312.db2.gz OVEVUOYPAPKJCW-UNMCSNQZSA-N 0 1 396.535 3.135 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179468732 1429385789 /nfs/dbraw/zinc/38/57/89/1429385789.db2.gz RXYRGGSSXLBGLO-AZUAARDMSA-N 0 1 399.466 3.115 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(C)c1 ZINC000179469541 1429386555 /nfs/dbraw/zinc/38/65/55/1429386555.db2.gz KTPYWAOGRBLJCR-NHCUHLMSSA-N 0 1 395.503 3.284 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)[C@H]1c1ccccc1 ZINC000179474230 1429386746 /nfs/dbraw/zinc/38/67/46/1429386746.db2.gz HVLFHGZJRQIQPZ-UYAOXDASSA-N 0 1 395.503 3.364 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000179473826 1429387140 /nfs/dbraw/zinc/38/71/40/1429387140.db2.gz QTMUTPPNUCTEQG-SJORKVTESA-N 0 1 392.286 3.494 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1 ZINC000179475115 1429387501 /nfs/dbraw/zinc/38/75/01/1429387501.db2.gz IIPPBCUCDLCAFB-SJORKVTESA-N 0 1 392.286 3.494 20 0 GGADMN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179477807 1429388531 /nfs/dbraw/zinc/38/85/31/1429388531.db2.gz HOZFFZLGIUHYDH-FXAWDEMLSA-N 0 1 399.466 3.113 20 0 GGADMN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cnn(C(C)C)c2)C(C)C)cc1 ZINC000179490405 1429391561 /nfs/dbraw/zinc/39/15/61/1429391561.db2.gz DPSXHUIUNHGOLV-FQEVSTJZSA-N 0 1 388.512 3.073 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000179485153 1429389626 /nfs/dbraw/zinc/38/96/26/1429389626.db2.gz AVMDYZAPPHTIAQ-AWEZNQCLSA-N 0 1 399.495 3.237 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)s1 ZINC000179497183 1429395615 /nfs/dbraw/zinc/39/56/15/1429395615.db2.gz NPRNAUBRRZUBHN-QAPCUYQASA-N 0 1 387.549 3.482 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccc(Cl)cc1 ZINC000179497376 1429395885 /nfs/dbraw/zinc/39/58/85/1429395885.db2.gz WTEZGSJKMBLTPG-CJNGLKHVSA-N 0 1 387.915 3.392 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179491114 1429392181 /nfs/dbraw/zinc/39/21/81/1429392181.db2.gz FQMQURLMTOIDGS-CYBMUJFWSA-N 0 1 389.887 3.162 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179491114 1429392189 /nfs/dbraw/zinc/39/21/89/1429392189.db2.gz FQMQURLMTOIDGS-CYBMUJFWSA-N 0 1 389.887 3.162 20 0 GGADMN Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179491387 1429392464 /nfs/dbraw/zinc/39/24/64/1429392464.db2.gz PSJAIDFZCUPXME-AUUYWEPGSA-N 0 1 378.879 3.171 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000179492977 1429393093 /nfs/dbraw/zinc/39/30/93/1429393093.db2.gz LGTLSODAJGQNEU-GFCCVEGCSA-N 0 1 377.851 3.293 20 0 GGADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(F)c(Cl)c1 ZINC000179492977 1429393101 /nfs/dbraw/zinc/39/31/01/1429393101.db2.gz LGTLSODAJGQNEU-GFCCVEGCSA-N 0 1 377.851 3.293 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H]3CCCN(Cc4ccccc4)C3=O)c(C)n2n1 ZINC000179496968 1429396053 /nfs/dbraw/zinc/39/60/53/1429396053.db2.gz FWRKNTCKBOIULS-UZLBHIALSA-N 0 1 377.492 3.188 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000179492968 1429393281 /nfs/dbraw/zinc/39/32/81/1429393281.db2.gz LGTLSODAJGQNEU-LBPRGKRZSA-N 0 1 377.851 3.293 20 0 GGADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(F)c(Cl)c1 ZINC000179492968 1429393286 /nfs/dbraw/zinc/39/32/86/1429393286.db2.gz LGTLSODAJGQNEU-LBPRGKRZSA-N 0 1 377.851 3.293 20 0 GGADMN CN(C(=O)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1nc2ccccc2s1 ZINC000179493315 1429393327 /nfs/dbraw/zinc/39/33/27/1429393327.db2.gz DDEZUAHFKILOET-CQSZACIVSA-N 0 1 396.520 3.134 20 0 GGADMN CN(C(=O)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1nc2ccccc2s1 ZINC000179493315 1429393332 /nfs/dbraw/zinc/39/33/32/1429393332.db2.gz DDEZUAHFKILOET-CQSZACIVSA-N 0 1 396.520 3.134 20 0 GGADMN CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179493818 1429394001 /nfs/dbraw/zinc/39/40/01/1429394001.db2.gz AVRDMGZARFVYTR-HOTGVXAUSA-N 0 1 386.500 3.355 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179493823 1429394137 /nfs/dbraw/zinc/39/41/37/1429394137.db2.gz AVRDMGZARFVYTR-JKSUJKDBSA-N 0 1 386.500 3.355 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccnc(OCC(F)F)c2)CC1 ZINC000179499700 1429397077 /nfs/dbraw/zinc/39/70/77/1429397077.db2.gz WAQCBLOJVLRUTH-CQSZACIVSA-N 0 1 390.434 3.076 20 0 GGADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504081 1429399895 /nfs/dbraw/zinc/39/98/95/1429399895.db2.gz LVSLXMSXVJKHQA-AAEUAGOBSA-N 0 1 375.423 3.167 20 0 GGADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179504081 1429399903 /nfs/dbraw/zinc/39/99/03/1429399903.db2.gz LVSLXMSXVJKHQA-AAEUAGOBSA-N 0 1 375.423 3.167 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504426 1429400022 /nfs/dbraw/zinc/40/00/22/1429400022.db2.gz UXDAGRCIWIYXOK-HOCLYGCPSA-N 0 1 383.496 3.287 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179504426 1429400030 /nfs/dbraw/zinc/40/00/30/1429400030.db2.gz UXDAGRCIWIYXOK-HOCLYGCPSA-N 0 1 383.496 3.287 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826304546 1429400015 /nfs/dbraw/zinc/40/00/15/1429400015.db2.gz PFHRJROEQYUMMB-CVEARBPZSA-N 0 1 378.480 3.366 20 0 GGADMN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179504059 1429400105 /nfs/dbraw/zinc/40/01/05/1429400105.db2.gz WDDWHHXOVPMIFT-YPMHNXCESA-N 0 1 375.423 3.167 20 0 GGADMN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179504059 1429400108 /nfs/dbraw/zinc/40/01/08/1429400108.db2.gz WDDWHHXOVPMIFT-YPMHNXCESA-N 0 1 375.423 3.167 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000822739929 1429401870 /nfs/dbraw/zinc/40/18/70/1429401870.db2.gz DZXFTYVFPLEPFU-UHFFFAOYSA-N 0 1 378.411 3.113 20 0 GGADMN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000179509911 1429402345 /nfs/dbraw/zinc/40/23/45/1429402345.db2.gz REVVEMXOHINGGA-IBGZPJMESA-N 0 1 380.916 3.067 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1cc(Cl)ccc1F ZINC000179509269 1429402425 /nfs/dbraw/zinc/40/24/25/1429402425.db2.gz CRWNBOPCPLEPAL-GFCCVEGCSA-N 0 1 377.851 3.293 20 0 GGADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Nc1cc(Cl)ccc1F ZINC000179509269 1429402430 /nfs/dbraw/zinc/40/24/30/1429402430.db2.gz CRWNBOPCPLEPAL-GFCCVEGCSA-N 0 1 377.851 3.293 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C ZINC000179510395 1429402451 /nfs/dbraw/zinc/40/24/51/1429402451.db2.gz FXVBCMAVKQGYHY-YJBOKZPZSA-N 0 1 399.539 3.370 20 0 GGADMN COC[C@H](C)n1c(C)cc(C(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000179510395 1429402455 /nfs/dbraw/zinc/40/24/55/1429402455.db2.gz FXVBCMAVKQGYHY-YJBOKZPZSA-N 0 1 399.539 3.370 20 0 GGADMN CCOc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179512242 1429403177 /nfs/dbraw/zinc/40/31/77/1429403177.db2.gz DBDBNAUZTVAVJY-ZBFHGGJFSA-N 0 1 383.496 3.287 20 0 GGADMN Clc1ccc(-n2cc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nn2)cc1 ZINC000179512679 1429403506 /nfs/dbraw/zinc/40/35/06/1429403506.db2.gz HGYHZMQXSKJHCK-AWEZNQCLSA-N 0 1 383.887 3.296 20 0 GGADMN Clc1ccc(-n2cc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)nn2)cc1 ZINC000179512679 1429403507 /nfs/dbraw/zinc/40/35/07/1429403507.db2.gz HGYHZMQXSKJHCK-AWEZNQCLSA-N 0 1 383.887 3.296 20 0 GGADMN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179508341 1429401524 /nfs/dbraw/zinc/40/15/24/1429401524.db2.gz CBBSAAUVZJXVCJ-WIYYLYMNSA-N 0 1 388.471 3.043 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1C ZINC000179516163 1429404871 /nfs/dbraw/zinc/40/48/71/1429404871.db2.gz VNHIJEVKRVTHPR-CJNGLKHVSA-N 0 1 383.496 3.280 20 0 GGADMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000179516163 1429404877 /nfs/dbraw/zinc/40/48/77/1429404877.db2.gz VNHIJEVKRVTHPR-CJNGLKHVSA-N 0 1 383.496 3.280 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179515968 1429405330 /nfs/dbraw/zinc/40/53/30/1429405330.db2.gz OARPLVKRGYAOJC-DYVFJYSZSA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179515968 1429405341 /nfs/dbraw/zinc/40/53/41/1429405341.db2.gz OARPLVKRGYAOJC-DYVFJYSZSA-N 0 1 381.480 3.091 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292329 1429406686 /nfs/dbraw/zinc/40/66/86/1429406686.db2.gz JJWCHXJCKJXBOO-LZJOCLMNSA-N 0 1 393.491 3.486 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736292329 1429406691 /nfs/dbraw/zinc/40/66/91/1429406691.db2.gz JJWCHXJCKJXBOO-LZJOCLMNSA-N 0 1 393.491 3.486 20 0 GGADMN COC(=O)[C@H](C)Oc1ccc(CN2CCc3c(cccc3NC(C)=O)C2)cc1 ZINC000179532168 1429412977 /nfs/dbraw/zinc/41/29/77/1429412977.db2.gz FYGUQQDQROQNNU-HNNXBMFYSA-N 0 1 382.460 3.144 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000179527955 1429410626 /nfs/dbraw/zinc/41/06/26/1429410626.db2.gz UXADUKIDYAKJMA-QGZVFWFLSA-N 0 1 397.519 3.442 20 0 GGADMN CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000179529015 1429411420 /nfs/dbraw/zinc/41/14/20/1429411420.db2.gz BWWBAOVSFAKBIG-STQMWFEESA-N 0 1 375.494 3.312 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NCC(=O)NCCCN2CCCCCC2=O)cc1 ZINC000179532123 1429412929 /nfs/dbraw/zinc/41/29/29/1429412929.db2.gz BWNXCBFVHQSADB-SFHVURJKSA-N 0 1 389.540 3.033 20 0 GGADMN O=C1CCCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)ccc2N1 ZINC000179544825 1429421671 /nfs/dbraw/zinc/42/16/71/1429421671.db2.gz SPSZFXZELBNAOE-UHFFFAOYSA-N 0 1 385.367 3.176 20 0 GGADMN C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000179544863 1429421846 /nfs/dbraw/zinc/42/18/46/1429421846.db2.gz WGRRJNKFCFSJCX-XOBRGWDASA-N 0 1 380.492 3.292 20 0 GGADMN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000179544853 1429421960 /nfs/dbraw/zinc/42/19/60/1429421960.db2.gz WGRRJNKFCFSJCX-VLIAUNLRSA-N 0 1 380.492 3.292 20 0 GGADMN CCOC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001139858063 1429429450 /nfs/dbraw/zinc/42/94/50/1429429450.db2.gz VIQBFVRUHRVKEQ-UHFFFAOYSA-N 0 1 379.464 3.212 20 0 GGADMN CCOC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139858063 1429429460 /nfs/dbraw/zinc/42/94/60/1429429460.db2.gz VIQBFVRUHRVKEQ-UHFFFAOYSA-N 0 1 379.464 3.212 20 0 GGADMN CCOC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001139858063 1429429463 /nfs/dbraw/zinc/42/94/63/1429429463.db2.gz VIQBFVRUHRVKEQ-UHFFFAOYSA-N 0 1 379.464 3.212 20 0 GGADMN CCC(CC)n1nc(C)cc1C(=O)NNC(=O)c1ccc(Br)s1 ZINC000179560291 1429433559 /nfs/dbraw/zinc/43/35/59/1429433559.db2.gz AOCVKPXYBXTRCF-UHFFFAOYSA-N 0 1 399.314 3.451 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000826169618 1429430075 /nfs/dbraw/zinc/43/00/75/1429430075.db2.gz YKQNBZKYTHUZPW-HZPDHXFCSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000826169618 1429430079 /nfs/dbraw/zinc/43/00/79/1429430079.db2.gz YKQNBZKYTHUZPW-HZPDHXFCSA-N 0 1 385.493 3.025 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000826169618 1429430081 /nfs/dbraw/zinc/43/00/81/1429430081.db2.gz YKQNBZKYTHUZPW-HZPDHXFCSA-N 0 1 385.493 3.025 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1[O-] ZINC000179564847 1429436961 /nfs/dbraw/zinc/43/69/61/1429436961.db2.gz NDBZJUXAKKDBMS-UHFFFAOYSA-N 0 1 376.840 3.277 20 0 GGADMN CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000736536248 1429436577 /nfs/dbraw/zinc/43/65/77/1429436577.db2.gz GILIWZVWENDKEV-UHFFFAOYSA-N 0 1 393.495 3.070 20 0 GGADMN CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736536248 1429436581 /nfs/dbraw/zinc/43/65/81/1429436581.db2.gz GILIWZVWENDKEV-UHFFFAOYSA-N 0 1 393.495 3.070 20 0 GGADMN CC[N@@H+](CCNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000736536248 1429436584 /nfs/dbraw/zinc/43/65/84/1429436584.db2.gz GILIWZVWENDKEV-UHFFFAOYSA-N 0 1 393.495 3.070 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CNC(C)(C)c1cccc(F)c1)CC2 ZINC000179564335 1429436616 /nfs/dbraw/zinc/43/66/16/1429436616.db2.gz JBFXCDJISMCWNH-UHFFFAOYSA-N 0 1 386.467 3.253 20 0 GGADMN O=C(c1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1)N1CCCC1 ZINC000179564530 1429436780 /nfs/dbraw/zinc/43/67/80/1429436780.db2.gz ZLNZCZZXRPNXGE-QFIPXVFZSA-N 0 1 391.515 3.376 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000825856081 1429440636 /nfs/dbraw/zinc/44/06/36/1429440636.db2.gz NECJJVYOIHHDJT-UHFFFAOYSA-N 0 1 383.525 3.071 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@@H]2[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000826518420 1429443465 /nfs/dbraw/zinc/44/34/65/1429443465.db2.gz NINSSSWLACPWDB-AEFFLSMTSA-N 0 1 385.537 3.279 20 0 GGADMN COCCn1nc(C)c(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1C ZINC000179574572 1429444058 /nfs/dbraw/zinc/44/40/58/1429444058.db2.gz HEIAAQGZUGXOQY-KRWDZBQOSA-N 0 1 389.500 3.006 20 0 GGADMN CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736403914 1429439178 /nfs/dbraw/zinc/43/91/78/1429439178.db2.gz ZCTQUJWRPIJYFN-CYBMUJFWSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736403914 1429439182 /nfs/dbraw/zinc/43/91/82/1429439182.db2.gz ZCTQUJWRPIJYFN-CYBMUJFWSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736403914 1429439188 /nfs/dbraw/zinc/43/91/88/1429439188.db2.gz ZCTQUJWRPIJYFN-CYBMUJFWSA-N 0 1 376.892 3.361 20 0 GGADMN COc1cc(NC(=O)CNC(C)(C)c2cccc(F)c2)cc(OC)c1OC ZINC000179577231 1429447645 /nfs/dbraw/zinc/44/76/45/1429447645.db2.gz YTRIRRJOCFAYOK-UHFFFAOYSA-N 0 1 376.428 3.315 20 0 GGADMN COc1cc(CN2CCC[C@H](OCCO)C2)ccc1OCc1cccs1 ZINC000179577987 1429448074 /nfs/dbraw/zinc/44/80/74/1429448074.db2.gz JWLFZOFYOGSUFJ-KRWDZBQOSA-N 0 1 377.506 3.309 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CNC(C)(C)c2cccc(F)c2)CC1 ZINC000179574849 1429444163 /nfs/dbraw/zinc/44/41/63/1429444163.db2.gz DFYBWKUXWAWNAE-UHFFFAOYSA-N 0 1 391.531 3.051 20 0 GGADMN COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179575633 1429445155 /nfs/dbraw/zinc/44/51/55/1429445155.db2.gz JVCJOZMGPIDAMT-GFCCVEGCSA-N 0 1 378.375 3.364 20 0 GGADMN COC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179575618 1429445363 /nfs/dbraw/zinc/44/53/63/1429445363.db2.gz JVCJOZMGPIDAMT-LBPRGKRZSA-N 0 1 378.375 3.364 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000179580521 1429450270 /nfs/dbraw/zinc/45/02/70/1429450270.db2.gz ICBGLSUNFQWGJL-UHFFFAOYSA-N 0 1 398.551 3.225 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179581654 1429450826 /nfs/dbraw/zinc/45/08/26/1429450826.db2.gz YKOBEWDDTVTBOQ-CYBMUJFWSA-N 0 1 385.432 3.421 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826194102 1429452489 /nfs/dbraw/zinc/45/24/89/1429452489.db2.gz AMHATHYWGOZAHL-INIZCTEOSA-N 0 1 381.505 3.490 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826194102 1429452493 /nfs/dbraw/zinc/45/24/93/1429452493.db2.gz AMHATHYWGOZAHL-INIZCTEOSA-N 0 1 381.505 3.490 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826194102 1429452497 /nfs/dbraw/zinc/45/24/97/1429452497.db2.gz AMHATHYWGOZAHL-INIZCTEOSA-N 0 1 381.505 3.490 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000179586094 1429454001 /nfs/dbraw/zinc/45/40/01/1429454001.db2.gz FTLUOHPBQNQVGT-STQMWFEESA-N 0 1 383.439 3.486 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179588719 1429455834 /nfs/dbraw/zinc/45/58/34/1429455834.db2.gz JYUAKRMTIQIMFR-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1sccc1C(N)=O ZINC000179589147 1429456199 /nfs/dbraw/zinc/45/61/99/1429456199.db2.gz RZEWAGDBBPMFHK-NXEZZACHSA-N 0 1 383.420 3.126 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1sccc1C(N)=O)c1cccc(OC(F)F)c1 ZINC000179589132 1429456272 /nfs/dbraw/zinc/45/62/72/1429456272.db2.gz RZEWAGDBBPMFHK-ZJUUUORDSA-N 0 1 383.420 3.126 20 0 GGADMN O=C(NCCc1ccccc1Cl)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179594666 1429460646 /nfs/dbraw/zinc/46/06/46/1429460646.db2.gz CNIODNUUDVDJRZ-UHFFFAOYSA-N 0 1 392.793 3.451 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196622 1429457838 /nfs/dbraw/zinc/45/78/38/1429457838.db2.gz LAFJGJRPFKRFPJ-HUUCEWRRSA-N 0 1 386.500 3.117 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196622 1429457842 /nfs/dbraw/zinc/45/78/42/1429457842.db2.gz LAFJGJRPFKRFPJ-HUUCEWRRSA-N 0 1 386.500 3.117 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196622 1429457846 /nfs/dbraw/zinc/45/78/46/1429457846.db2.gz LAFJGJRPFKRFPJ-HUUCEWRRSA-N 0 1 386.500 3.117 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000179591961 1429458066 /nfs/dbraw/zinc/45/80/66/1429458066.db2.gz XCAQUCPSCDPEQL-RYUDHWBXSA-N 0 1 377.391 3.065 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179598106 1429462533 /nfs/dbraw/zinc/46/25/33/1429462533.db2.gz CAAQQDQGEJFMSU-WDEREUQCSA-N 0 1 390.390 3.135 20 0 GGADMN CCc1ccccc1NC(=O)CN1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179597725 1429462838 /nfs/dbraw/zinc/46/28/38/1429462838.db2.gz PQCIOHOHSZTIOR-UHFFFAOYSA-N 0 1 387.911 3.364 20 0 GGADMN CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179597725 1429462850 /nfs/dbraw/zinc/46/28/50/1429462850.db2.gz PQCIOHOHSZTIOR-UHFFFAOYSA-N 0 1 387.911 3.364 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179598121 1429463054 /nfs/dbraw/zinc/46/30/54/1429463054.db2.gz CAAQQDQGEJFMSU-GHMZBOCLSA-N 0 1 390.390 3.135 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C(=O)CNC(C)(C)c2cccc(Cl)c2)CC1 ZINC000179600090 1429463431 /nfs/dbraw/zinc/46/34/31/1429463431.db2.gz NWUWPNDPFSWZKO-UHFFFAOYSA-N 0 1 393.959 3.270 20 0 GGADMN CCc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc(-c2ccncc2)n1 ZINC000179599144 1429463863 /nfs/dbraw/zinc/46/38/63/1429463863.db2.gz LIHSCSOUBIDRRR-MRXNPFEDSA-N 0 1 375.480 3.481 20 0 GGADMN CCc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc(-c2ccncc2)n1 ZINC000179599144 1429463871 /nfs/dbraw/zinc/46/38/71/1429463871.db2.gz LIHSCSOUBIDRRR-MRXNPFEDSA-N 0 1 375.480 3.481 20 0 GGADMN CC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000736214231 1429464771 /nfs/dbraw/zinc/46/47/71/1429464771.db2.gz POQYSVWMEMZWBP-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000736214231 1429464773 /nfs/dbraw/zinc/46/47/73/1429464773.db2.gz POQYSVWMEMZWBP-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000736214231 1429464775 /nfs/dbraw/zinc/46/47/75/1429464775.db2.gz POQYSVWMEMZWBP-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN O=C(NCc1cccc2cccnc21)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179600300 1429464874 /nfs/dbraw/zinc/46/48/74/1429464874.db2.gz SXTMTGMTNBCVLM-UHFFFAOYSA-N 0 1 395.369 3.304 20 0 GGADMN CC(C)(NCC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1cccc(Cl)c1 ZINC000179604288 1429466816 /nfs/dbraw/zinc/46/68/16/1429466816.db2.gz JXNMPTHEJLHKCV-UHFFFAOYSA-N 0 1 399.922 3.373 20 0 GGADMN COC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179600961 1429465036 /nfs/dbraw/zinc/46/50/36/1429465036.db2.gz PBXLNDIAVMBLDY-LBPRGKRZSA-N 0 1 378.375 3.364 20 0 GGADMN CC(C)C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nccs1 ZINC000179600477 1429465163 /nfs/dbraw/zinc/46/51/63/1429465163.db2.gz RAKQQLAJNNASCV-CJNGLKHVSA-N 0 1 395.550 3.251 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)(C)c1ccccc1 ZINC000824584862 1429466999 /nfs/dbraw/zinc/46/69/99/1429466999.db2.gz ILYNDYFTJOAQGY-CYBMUJFWSA-N 0 1 384.509 3.213 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179607826 1429468526 /nfs/dbraw/zinc/46/85/26/1429468526.db2.gz FDCLECSQNMDZLR-JTQLQIEISA-N 0 1 384.404 3.425 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179608797 1429469385 /nfs/dbraw/zinc/46/93/85/1429469385.db2.gz TXGVLHASPIUQEB-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1sccc1C(N)=O ZINC000179609248 1429469573 /nfs/dbraw/zinc/46/95/73/1429469573.db2.gz JCNDKVPERAXQMZ-UWVGGRQHSA-N 0 1 383.420 3.126 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc(OC(F)F)cc1 ZINC000179609260 1429469661 /nfs/dbraw/zinc/46/96/61/1429469661.db2.gz JCNDKVPERAXQMZ-ZJUUUORDSA-N 0 1 383.420 3.126 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179613927 1429470791 /nfs/dbraw/zinc/47/07/91/1429470791.db2.gz OLQXCNIYXPBWLT-LBPRGKRZSA-N 0 1 378.375 3.364 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)N(C)C)c1 ZINC000179618494 1429473713 /nfs/dbraw/zinc/47/37/13/1429473713.db2.gz NYEGNBGUJMXKCF-RTBURBONSA-N 0 1 376.884 3.191 20 0 GGADMN CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000179621002 1429474476 /nfs/dbraw/zinc/47/44/76/1429474476.db2.gz SRPZXTDPONBSPJ-RDJZCZTQSA-N 0 1 396.576 3.422 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000179626453 1429476746 /nfs/dbraw/zinc/47/67/46/1429476746.db2.gz SLBDWHUYFVBBQK-INIZCTEOSA-N 0 1 386.492 3.126 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000179626909 1429477471 /nfs/dbraw/zinc/47/74/71/1429477471.db2.gz XHHGMANHHFUPIM-CYBMUJFWSA-N 0 1 392.525 3.352 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000179613937 1429471774 /nfs/dbraw/zinc/47/17/74/1429471774.db2.gz OLQXCNIYXPBWLT-GFCCVEGCSA-N 0 1 378.375 3.364 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000179618299 1429472902 /nfs/dbraw/zinc/47/29/02/1429472902.db2.gz SYUVJCFTJFXZFJ-MRXNPFEDSA-N 0 1 386.492 3.126 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000179627042 1429477560 /nfs/dbraw/zinc/47/75/60/1429477560.db2.gz XHHGMANHHFUPIM-ZDUSSCGKSA-N 0 1 392.525 3.352 20 0 GGADMN COc1ccc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)cc1-c1nn[n-]n1 ZINC000826202490 1429477585 /nfs/dbraw/zinc/47/75/85/1429477585.db2.gz BPGJXPJNDXVPBU-UHFFFAOYSA-N 0 1 395.463 3.120 20 0 GGADMN COc1cc(C)c([C@@H](C)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000179628035 1429478421 /nfs/dbraw/zinc/47/84/21/1429478421.db2.gz NUKSLDZGARXTLW-OAHLLOKOSA-N 0 1 392.521 3.113 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000179630866 1429480172 /nfs/dbraw/zinc/48/01/72/1429480172.db2.gz XTSICBRYWFRRBY-UHFFFAOYSA-N 0 1 395.503 3.209 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)s1 ZINC000179632116 1429480696 /nfs/dbraw/zinc/48/06/96/1429480696.db2.gz YAXHBICKSHGSCT-CYBMUJFWSA-N 0 1 392.525 3.496 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)s1 ZINC000179632103 1429480888 /nfs/dbraw/zinc/48/08/88/1429480888.db2.gz YAXHBICKSHGSCT-ZDUSSCGKSA-N 0 1 392.525 3.496 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000179633152 1429481822 /nfs/dbraw/zinc/48/18/22/1429481822.db2.gz CKNDDKWBHDGFOP-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000179636409 1429483413 /nfs/dbraw/zinc/48/34/13/1429483413.db2.gz UUQCULUENOFIEF-KRWDZBQOSA-N 0 1 391.519 3.142 20 0 GGADMN CCc1ccc(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000179653137 1429490686 /nfs/dbraw/zinc/49/06/86/1429490686.db2.gz OXKPRNJCBQKZSS-MRXNPFEDSA-N 0 1 395.503 3.196 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(C)c1 ZINC000179647833 1429488510 /nfs/dbraw/zinc/48/85/10/1429488510.db2.gz DXZAETZCIIULOL-KRWDZBQOSA-N 0 1 395.503 3.250 20 0 GGADMN CCc1ccccc1NC(=O)CN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650381 1429489218 /nfs/dbraw/zinc/48/92/18/1429489218.db2.gz FDTZIJZPJLCQGG-MRXNPFEDSA-N 0 1 395.503 3.196 20 0 GGADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C ZINC000179651773 1429489765 /nfs/dbraw/zinc/48/97/65/1429489765.db2.gz LGFDBTUXYBXTMI-QGZVFWFLSA-N 0 1 395.503 3.250 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1OCc1ccncc1 ZINC000825961593 1429489871 /nfs/dbraw/zinc/48/98/71/1429489871.db2.gz JRRITPYNQGONNF-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN Cc1cccc2nc(CN[C@H](C)c3ccc(OCC(=O)NC4CC4)cc3)cn21 ZINC000179654133 1429491634 /nfs/dbraw/zinc/49/16/34/1429491634.db2.gz NSRWGARICLMPEK-MRXNPFEDSA-N 0 1 378.476 3.151 20 0 GGADMN Cc1nc2ccccc2nc1CN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179653573 1429491671 /nfs/dbraw/zinc/49/16/71/1429491671.db2.gz JGNSDILSZQXWSB-HNNXBMFYSA-N 0 1 390.487 3.446 20 0 GGADMN CN1CC[C@@H](CNC(=O)N2CCC(C)(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179655451 1429492250 /nfs/dbraw/zinc/49/22/50/1429492250.db2.gz NLHAKDSILBAYKG-WMLDXEAASA-N 0 1 383.895 3.028 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCCNC2(c3ccccc3F)CC2)cc1 ZINC000179661324 1429495606 /nfs/dbraw/zinc/49/56/06/1429495606.db2.gz FMHZWEIJHFLSBJ-UHFFFAOYSA-N 0 1 390.480 3.227 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000179655885 1429493027 /nfs/dbraw/zinc/49/30/27/1429493027.db2.gz TXMKABNWCQHRQY-JCKWVBRZSA-N 0 1 383.895 3.292 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000179655856 1429493464 /nfs/dbraw/zinc/49/34/64/1429493464.db2.gz TXMKABNWCQHRQY-DHSIGJKJSA-N 0 1 383.895 3.292 20 0 GGADMN CCC[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H](C)c1ccccc1OC ZINC000825323009 1429493973 /nfs/dbraw/zinc/49/39/73/1429493973.db2.gz NAUXWAZCSMHPEH-HNNXBMFYSA-N 0 1 391.479 3.496 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C(=O)CNC2(c3cccc(Cl)c3)CC2)CC1 ZINC000179668305 1429498539 /nfs/dbraw/zinc/49/85/39/1429498539.db2.gz FPIDGKKPCIDJOU-UHFFFAOYSA-N 0 1 391.943 3.024 20 0 GGADMN C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736817211 1429498809 /nfs/dbraw/zinc/49/88/09/1429498809.db2.gz USWYKERUMUVPJF-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)ccc21 ZINC000179669722 1429499282 /nfs/dbraw/zinc/49/92/82/1429499282.db2.gz QTCYSRUHHUCMNV-MRXNPFEDSA-N 0 1 394.479 3.003 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)ccc21 ZINC000179669709 1429499327 /nfs/dbraw/zinc/49/93/27/1429499327.db2.gz QTCYSRUHHUCMNV-INIZCTEOSA-N 0 1 394.479 3.003 20 0 GGADMN CCCc1cc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n(C)n1 ZINC000179670711 1429500126 /nfs/dbraw/zinc/50/01/26/1429500126.db2.gz UJTWMUAZXCOGGZ-CALCHBBNSA-N 0 1 399.539 3.304 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000179673508 1429501603 /nfs/dbraw/zinc/50/16/03/1429501603.db2.gz KEOJLPCYTIAZNP-MOPGFXCFSA-N 0 1 382.932 3.017 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735619924 1429501939 /nfs/dbraw/zinc/50/19/39/1429501939.db2.gz ZDTYEDKZLPRBNL-UHFFFAOYSA-N 0 1 393.948 3.023 20 0 GGADMN CC(C)(C)[N@@H+]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735619924 1429501948 /nfs/dbraw/zinc/50/19/48/1429501948.db2.gz ZDTYEDKZLPRBNL-UHFFFAOYSA-N 0 1 393.948 3.023 20 0 GGADMN CC(C)(C)[N@H+]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735619924 1429501956 /nfs/dbraw/zinc/50/19/56/1429501956.db2.gz ZDTYEDKZLPRBNL-UHFFFAOYSA-N 0 1 393.948 3.023 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2csnc2C)CC1 ZINC000179682435 1429505490 /nfs/dbraw/zinc/50/54/90/1429505490.db2.gz LPMXOOCMYNXZOZ-CYBMUJFWSA-N 0 1 376.501 3.224 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2c(C)ccn(C)c2=O)CCN1Cc1ccccc1 ZINC000179676053 1429502759 /nfs/dbraw/zinc/50/27/59/1429502759.db2.gz QKKNNZLFIRXHFQ-IBGZPJMESA-N 0 1 382.508 3.212 20 0 GGADMN CN1CC[C@@H](CNC(=O)N[C@@H]2CCCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179678032 1429503741 /nfs/dbraw/zinc/50/37/41/1429503741.db2.gz BCTKPYVIXWCPJW-DAYGRLMNSA-N 0 1 383.895 3.340 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)NCCCN2CCCCCC2=O)c1 ZINC000179679172 1429504173 /nfs/dbraw/zinc/50/41/73/1429504173.db2.gz CUNUSEAELWFARB-GOSISDBHSA-N 0 1 389.540 3.033 20 0 GGADMN COc1ccc([C@H](NCCS(=O)(=O)c2cccc(OC)c2)C2CC2)cc1 ZINC000179685849 1429506746 /nfs/dbraw/zinc/50/67/46/1429506746.db2.gz WCSQDAYIQHCEIK-HXUWFJFHSA-N 0 1 375.490 3.218 20 0 GGADMN C[C@@H](NCC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 ZINC000179687118 1429507744 /nfs/dbraw/zinc/50/77/44/1429507744.db2.gz JAZUPEJXMKBUAZ-QGZVFWFLSA-N 0 1 376.460 3.023 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000737031968 1429511085 /nfs/dbraw/zinc/51/10/85/1429511085.db2.gz IVRQIMLJEFZLJF-SFHVURJKSA-N 0 1 379.464 3.400 20 0 GGADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCN(Cc2ccccc2C)CC1 ZINC000179693220 1429509726 /nfs/dbraw/zinc/50/97/26/1429509726.db2.gz QGVCKUIIPJURBJ-UHFFFAOYSA-N 0 1 398.551 3.078 20 0 GGADMN C[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1cccc(OCc2ccccn2)c1 ZINC000179695623 1429510850 /nfs/dbraw/zinc/51/08/50/1429510850.db2.gz JWFCMKSLNOIOCB-CQSZACIVSA-N 0 1 381.398 3.380 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3cn(-c4cccc(Cl)c4F)nn3)[nH]c2c1 ZINC000179697841 1429511558 /nfs/dbraw/zinc/51/15/58/1429511558.db2.gz GABVTEAWDOBMFI-UHFFFAOYSA-N 0 1 384.802 3.175 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179700836 1429512817 /nfs/dbraw/zinc/51/28/17/1429512817.db2.gz YLFONHYZZDFDML-MRXNPFEDSA-N 0 1 397.504 3.107 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179700824 1429513094 /nfs/dbraw/zinc/51/30/94/1429513094.db2.gz YLFONHYZZDFDML-INIZCTEOSA-N 0 1 397.504 3.107 20 0 GGADMN O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179702638 1429513772 /nfs/dbraw/zinc/51/37/72/1429513772.db2.gz KBYDBBOYTXQXOS-KRWDZBQOSA-N 0 1 382.489 3.404 20 0 GGADMN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179702104 1429513812 /nfs/dbraw/zinc/51/38/12/1429513812.db2.gz APJQNXAWHCMTSR-KRWDZBQOSA-N 0 1 386.521 3.129 20 0 GGADMN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179702114 1429513963 /nfs/dbraw/zinc/51/39/63/1429513963.db2.gz APJQNXAWHCMTSR-QGZVFWFLSA-N 0 1 386.521 3.129 20 0 GGADMN CCC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179709937 1429516844 /nfs/dbraw/zinc/51/68/44/1429516844.db2.gz CFZUZAOSUPSWLM-CQSZACIVSA-N 0 1 382.468 3.442 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179711659 1429517956 /nfs/dbraw/zinc/51/79/56/1429517956.db2.gz AAUABJJDDSDSKK-DLBZAZTESA-N 0 1 380.851 3.273 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1OC(F)F ZINC000179713467 1429518338 /nfs/dbraw/zinc/51/83/38/1429518338.db2.gz XHGPYTGSDJCQBX-BBRMVZONSA-N 0 1 398.450 3.129 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000737201432 1429518432 /nfs/dbraw/zinc/51/84/32/1429518432.db2.gz FAXAFUWMCYUMRG-STQMWFEESA-N 0 1 385.516 3.069 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(F)c(F)c1 ZINC000179713326 1429518642 /nfs/dbraw/zinc/51/86/42/1429518642.db2.gz FWEAREFWFSVCPM-HZPDHXFCSA-N 0 1 383.464 3.316 20 0 GGADMN CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000179716581 1429519895 /nfs/dbraw/zinc/51/98/95/1429519895.db2.gz RSFMDYDZSGSBOW-SFHVURJKSA-N 0 1 396.495 3.223 20 0 GGADMN COCCOc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)c1 ZINC000179720109 1429521062 /nfs/dbraw/zinc/52/10/62/1429521062.db2.gz MKWHVQGMKHHWCP-INIZCTEOSA-N 0 1 399.495 3.427 20 0 GGADMN N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179721629 1429521761 /nfs/dbraw/zinc/52/17/61/1429521761.db2.gz UQXCNIOSRMCPGG-UHFFFAOYSA-N 0 1 384.823 3.487 20 0 GGADMN N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179721629 1429521767 /nfs/dbraw/zinc/52/17/67/1429521767.db2.gz UQXCNIOSRMCPGG-UHFFFAOYSA-N 0 1 384.823 3.487 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179711644 1429517230 /nfs/dbraw/zinc/51/72/30/1429517230.db2.gz AAUABJJDDSDSKK-IAGOWNOFSA-N 0 1 380.851 3.273 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N2CCO[C@H](C)C2)ccc1OCc1ccccc1 ZINC000179711140 1429517492 /nfs/dbraw/zinc/51/74/92/1429517492.db2.gz MAGNSIXUMARKFT-MSOLQXFVSA-N 0 1 398.503 3.172 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1Cc2ccc(F)cc2C1=O ZINC000824261449 1429523459 /nfs/dbraw/zinc/52/34/59/1429523459.db2.gz KIZICIYKYLNZGA-UHFFFAOYSA-N 0 1 394.454 3.077 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1Cc2ccc(F)cc2C1=O ZINC000824261449 1429523466 /nfs/dbraw/zinc/52/34/66/1429523466.db2.gz KIZICIYKYLNZGA-UHFFFAOYSA-N 0 1 394.454 3.077 20 0 GGADMN CCc1cccc(NC(=O)CN[C@H](CC)c2ccccc2OCC(=O)N(C)C)c1 ZINC000179726052 1429523916 /nfs/dbraw/zinc/52/39/16/1429523916.db2.gz LXNLERYMOALWKX-HXUWFJFHSA-N 0 1 397.519 3.395 20 0 GGADMN CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179726167 1429523925 /nfs/dbraw/zinc/52/39/25/1429523925.db2.gz OWLPLVXHYBCQFB-INIZCTEOSA-N 0 1 396.495 3.232 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccccc1C)c1ccccc1OCC(=O)N(C)C ZINC000179726969 1429524832 /nfs/dbraw/zinc/52/48/32/1429524832.db2.gz SOUJBNLPYVJBSH-SFHVURJKSA-N 0 1 383.492 3.141 20 0 GGADMN CC[C@@H](NCC(=O)Nc1cc(C)ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000179727006 1429524941 /nfs/dbraw/zinc/52/49/41/1429524941.db2.gz VMZFKCXPSMVLPV-LJQANCHMSA-N 0 1 397.519 3.450 20 0 GGADMN CCc1ccc(NC(=O)CN[C@@H](CC)c2ccccc2OCC(=O)N(C)C)cc1 ZINC000179728534 1429525667 /nfs/dbraw/zinc/52/56/67/1429525667.db2.gz XLQZRTVINZNYMB-FQEVSTJZSA-N 0 1 397.519 3.395 20 0 GGADMN CN(CC(=O)NC1(c2cccc(Cl)c2)CCCC1)c1ncnc2[nH]cnc21 ZINC000152323482 1422072742 /nfs/dbraw/zinc/07/27/42/1422072742.db2.gz ZUVWUKGBIWXIOU-UHFFFAOYSA-N 0 1 384.871 3.028 20 0 GGADMN CC(C)C[C@@H](C(=O)N1CCCN(Cc2ccccc2)CC1)N1CCCCC1=O ZINC000152327488 1422073917 /nfs/dbraw/zinc/07/39/17/1422073917.db2.gz SSJYAOMXNPVVSM-NRFANRHFSA-N 0 1 385.552 3.148 20 0 GGADMN CN(C)C(=O)c1ccc(CNCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)[nH]1 ZINC000152342185 1422078177 /nfs/dbraw/zinc/07/81/77/1422078177.db2.gz XJNCKCGVKRRGON-UHFFFAOYSA-N 0 1 394.450 3.398 20 0 GGADMN O=C(NCCc1cscn1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000152392470 1422091022 /nfs/dbraw/zinc/09/10/22/1422091022.db2.gz LOGWFXPKPXETAO-OAHLLOKOSA-N 0 1 398.454 3.278 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1)N1CCc2ccccc2C1 ZINC000152403717 1422094390 /nfs/dbraw/zinc/09/43/90/1422094390.db2.gz LZLODBBZDPUTEJ-SELNLUPBSA-N 0 1 395.547 3.287 20 0 GGADMN C[C@@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000152420650 1422098719 /nfs/dbraw/zinc/09/87/19/1422098719.db2.gz WIOXKQNARGLLSB-UEXGIBASSA-N 0 1 392.503 3.082 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)n1 ZINC000152423178 1422099557 /nfs/dbraw/zinc/09/95/57/1422099557.db2.gz OHMVICCFTIYSTD-UHFFFAOYSA-N 0 1 391.475 3.358 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1C(=O)N(C)C ZINC000152449941 1422106416 /nfs/dbraw/zinc/10/64/16/1422106416.db2.gz UKFBVCGLEFAWLU-IBGZPJMESA-N 0 1 386.471 3.260 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1C(=O)N(C)C ZINC000152450020 1422107239 /nfs/dbraw/zinc/10/72/39/1422107239.db2.gz UKFBVCGLEFAWLU-LJQANCHMSA-N 0 1 386.471 3.260 20 0 GGADMN COc1cccc(NC2CCN(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000152452834 1422107821 /nfs/dbraw/zinc/10/78/21/1422107821.db2.gz YRPRENVZEVEZLD-UHFFFAOYSA-N 0 1 396.535 3.413 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)N(C)C)c1 ZINC000152458566 1422109182 /nfs/dbraw/zinc/10/91/82/1422109182.db2.gz IFJAXMVFTOJWAX-FQEVSTJZSA-N 0 1 398.507 3.130 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000152472411 1422112831 /nfs/dbraw/zinc/11/28/31/1422112831.db2.gz IOUCETVEWRXUPW-UHFFFAOYSA-N 0 1 392.337 3.309 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cccc(OC(F)(F)F)c3)n[nH]2)cc1 ZINC000152472411 1422112833 /nfs/dbraw/zinc/11/28/33/1422112833.db2.gz IOUCETVEWRXUPW-UHFFFAOYSA-N 0 1 392.337 3.309 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN2C[C@@H]3CCCC[C@@]32c2ccccc2)CC1 ZINC000152478330 1422114568 /nfs/dbraw/zinc/11/45/68/1422114568.db2.gz VHYBGZHNJVFERW-NZQKXSOJSA-N 0 1 384.520 3.189 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820710680 1429531427 /nfs/dbraw/zinc/53/14/27/1429531427.db2.gz RWLCGUJJABZRKQ-ZDUSSCGKSA-N 0 1 391.907 3.154 20 0 GGADMN C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820710680 1429531432 /nfs/dbraw/zinc/53/14/32/1429531432.db2.gz RWLCGUJJABZRKQ-ZDUSSCGKSA-N 0 1 391.907 3.154 20 0 GGADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820710680 1429531439 /nfs/dbraw/zinc/53/14/39/1429531439.db2.gz RWLCGUJJABZRKQ-ZDUSSCGKSA-N 0 1 391.907 3.154 20 0 GGADMN Cn1nnnc1-c1cccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000152482650 1422116296 /nfs/dbraw/zinc/11/62/96/1422116296.db2.gz SRZALZOPTBZQFO-UHFFFAOYSA-N 0 1 379.811 3.173 20 0 GGADMN COc1cc(OC)c(NC(=O)CN[C@H](CCCO)c2ccccc2)cc1Cl ZINC000179742016 1429532485 /nfs/dbraw/zinc/53/24/85/1429532485.db2.gz FJDDKDVXCLKITE-MRXNPFEDSA-N 0 1 392.883 3.399 20 0 GGADMN Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1C(=O)N(C)C ZINC000152531700 1422133018 /nfs/dbraw/zinc/13/30/18/1422133018.db2.gz BZJCTDAKGPUSPL-HXUWFJFHSA-N 0 1 394.519 3.483 20 0 GGADMN Cc1cc(NC(=O)CN[C@H](CCCO)c2ccccc2)n(-c2ccccc2F)n1 ZINC000179733832 1429528280 /nfs/dbraw/zinc/52/82/80/1429528280.db2.gz APIHTVYWMJSASD-LJQANCHMSA-N 0 1 396.466 3.362 20 0 GGADMN CCc1ccc(CCNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000179735187 1429528361 /nfs/dbraw/zinc/52/83/61/1429528361.db2.gz QKUVVZVVCIUKCD-UHFFFAOYSA-N 0 1 386.402 3.360 20 0 GGADMN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccc(-c2nnc[nH]2)c1 ZINC000152581745 1422151895 /nfs/dbraw/zinc/15/18/95/1422151895.db2.gz FRSBNCGFEPRMIE-UHFFFAOYSA-N 0 1 380.795 3.105 20 0 GGADMN CC(C)(C)[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(F)cc1F ZINC000152590969 1422154508 /nfs/dbraw/zinc/15/45/08/1422154508.db2.gz FUEFUULWRXYWAK-QGZVFWFLSA-N 0 1 383.483 3.150 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)C[C@@H](O)c3ccc(Cl)cc3)c2)CC1 ZINC000179735394 1429529257 /nfs/dbraw/zinc/52/92/57/1429529257.db2.gz GSHLSGQQORDSGF-HXUWFJFHSA-N 0 1 387.911 3.150 20 0 GGADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000179745142 1429534244 /nfs/dbraw/zinc/53/42/44/1429534244.db2.gz JPCNFGDAAUDFHE-IUODEOHRSA-N 0 1 375.494 3.314 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1 ZINC000152604164 1422159929 /nfs/dbraw/zinc/15/99/29/1422159929.db2.gz CVFLMPPPTUNTMU-LRQRDZAKSA-N 0 1 387.499 3.282 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000152608333 1422162866 /nfs/dbraw/zinc/16/28/66/1422162866.db2.gz PVPAQBFXQCGGDT-RHSMWYFYSA-N 0 1 376.884 3.452 20 0 GGADMN O=C(Nc1nnc(C=Cc2ccco2)s1)c1cc(N2CC[NH+]=C2[O-])ccc1F ZINC000152622744 1422172620 /nfs/dbraw/zinc/17/26/20/1422172620.db2.gz GUSHVIFKQJEMIB-GQCTYLIASA-N 0 1 399.407 3.223 20 0 GGADMN CCCN(Cc1nc([C@H](C)OC)no1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152629024 1422176547 /nfs/dbraw/zinc/17/65/47/1422176547.db2.gz IIBBZALZJORDCD-AWEZNQCLSA-N 0 1 382.505 3.389 20 0 GGADMN CC(C)c1ccc([C@H](C)CC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000152636133 1422180764 /nfs/dbraw/zinc/18/07/64/1422180764.db2.gz BABWAXKGXILJRH-WIYYLYMNSA-N 0 1 385.552 3.069 20 0 GGADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000152652511 1422190152 /nfs/dbraw/zinc/19/01/52/1422190152.db2.gz KPYYOKLESOOGNH-KBPBESRZSA-N 0 1 386.414 3.401 20 0 GGADMN CCc1nc2c(s1)[C@@H](N(C)CC1=Nc3ccccc3S(=O)(=O)N1)CCC2 ZINC000152673463 1422203371 /nfs/dbraw/zinc/20/33/71/1422203371.db2.gz AQHLCKSSUDBVDL-AWEZNQCLSA-N 0 1 390.534 3.037 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000826168788 1429538022 /nfs/dbraw/zinc/53/80/22/1429538022.db2.gz YOXPSTTVTQYBEE-FOIQADDNSA-N 0 1 379.464 3.146 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000826168788 1429538025 /nfs/dbraw/zinc/53/80/25/1429538025.db2.gz YOXPSTTVTQYBEE-FOIQADDNSA-N 0 1 379.464 3.146 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000820556505 1429538065 /nfs/dbraw/zinc/53/80/65/1429538065.db2.gz UBFUIRHMTYTBOB-CQSZACIVSA-N 0 1 388.516 3.410 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000820556505 1429538068 /nfs/dbraw/zinc/53/80/68/1429538068.db2.gz UBFUIRHMTYTBOB-CQSZACIVSA-N 0 1 388.516 3.410 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000820556505 1429538071 /nfs/dbraw/zinc/53/80/71/1429538071.db2.gz UBFUIRHMTYTBOB-CQSZACIVSA-N 0 1 388.516 3.410 20 0 GGADMN Cc1noc(-c2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000152687121 1422209530 /nfs/dbraw/zinc/20/95/30/1422209530.db2.gz UJODFTKJBVCAIK-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN[C@H](C)c3cnn(C)c3)cc2OC)o1 ZINC000152688597 1422210620 /nfs/dbraw/zinc/21/06/20/1422210620.db2.gz CJCLOOJTIQMYPA-CQSZACIVSA-N 0 1 399.447 3.238 20 0 GGADMN CCCC[C@@H](COC)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152716452 1422221716 /nfs/dbraw/zinc/22/17/16/1422221716.db2.gz VOJTWHWMHBEONN-AEFFLSMTSA-N 0 1 394.535 3.143 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@H](C)CSC)CC1 ZINC000152717071 1422221745 /nfs/dbraw/zinc/22/17/45/1422221745.db2.gz WHPBOQLBHRBLLW-HUUCEWRRSA-N 0 1 382.549 3.079 20 0 GGADMN CSCC[C@@H](C)N(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000152716110 1422222010 /nfs/dbraw/zinc/22/20/10/1422222010.db2.gz ACMYRVHVJYZCIF-HZPDHXFCSA-N 0 1 396.576 3.422 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@@H](C)CCSC)CC1 ZINC000152717616 1422223069 /nfs/dbraw/zinc/22/30/69/1422223069.db2.gz IUWRNSJNKQIVEB-HOTGVXAUSA-N 0 1 396.576 3.469 20 0 GGADMN C[C@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC000152724807 1422226097 /nfs/dbraw/zinc/22/60/97/1422226097.db2.gz VLKGQSLLDAAGBC-XJKSGUPXSA-N 0 1 394.393 3.312 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC2 ZINC000152729961 1422228028 /nfs/dbraw/zinc/22/80/28/1422228028.db2.gz VFYGPBRVODVPDN-FGZHOGPDSA-N 0 1 399.510 3.252 20 0 GGADMN Cn1cc(N2CCC[C@@H](N3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)cn1 ZINC000152734168 1422229895 /nfs/dbraw/zinc/22/98/95/1422229895.db2.gz GLAPHOAFBXFZOW-MAUKXSAKSA-N 0 1 399.564 3.130 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000152736074 1422230178 /nfs/dbraw/zinc/23/01/78/1422230178.db2.gz CBNAQQXRTFBLAU-SNRMKQJTSA-N 0 1 394.943 3.111 20 0 GGADMN O=C(CCN1CCc2c(F)cccc2C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000152742573 1422233619 /nfs/dbraw/zinc/23/36/19/1422233619.db2.gz NLWWHACWOMQTQI-UHFFFAOYSA-N 0 1 381.451 3.339 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824612706 1429541120 /nfs/dbraw/zinc/54/11/20/1429541120.db2.gz OYDZISFJTWLFKM-HRAATJIYSA-N 0 1 393.491 3.282 20 0 GGADMN O[C@@H](CNCc1ncccc1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 ZINC000152767238 1422241224 /nfs/dbraw/zinc/24/12/24/1422241224.db2.gz OLULRQMORVSQON-AWEZNQCLSA-N 0 1 388.773 3.348 20 0 GGADMN O[C@H](CNCc1ncccc1C(F)(F)F)c1cc(Cl)c2c(c1)OCCO2 ZINC000152767306 1422241409 /nfs/dbraw/zinc/24/14/09/1422241409.db2.gz OLULRQMORVSQON-CQSZACIVSA-N 0 1 388.773 3.348 20 0 GGADMN O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cc(-c2ccco2)n[nH]1 ZINC000152777056 1422244386 /nfs/dbraw/zinc/24/43/86/1422244386.db2.gz NVANPXJROKJEDA-UHFFFAOYSA-N 0 1 399.414 3.353 20 0 GGADMN COc1ccccc1COC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000179755616 1429541580 /nfs/dbraw/zinc/54/15/80/1429541580.db2.gz GDKXBQRVCDRIHY-UHFFFAOYSA-N 0 1 393.487 3.155 20 0 GGADMN O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000152786709 1422248642 /nfs/dbraw/zinc/24/86/42/1422248642.db2.gz UPJOBGMXFBEMCP-UHFFFAOYSA-N 0 1 380.301 3.147 20 0 GGADMN O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000152786823 1422248801 /nfs/dbraw/zinc/24/88/01/1422248801.db2.gz HUVXYOUDJMAVHE-UHFFFAOYSA-N 0 1 384.386 3.358 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N[C@@H](CC(C)C)c1ccccc1)CC2 ZINC000152790278 1422249385 /nfs/dbraw/zinc/24/93/85/1422249385.db2.gz LEMUGNFPTKWVIO-PWRODBHTSA-N 0 1 388.552 3.142 20 0 GGADMN COc1cc(NC(=O)CCN2CCc3c(F)cccc3C2)cc(OC)c1OC ZINC000152793102 1422250272 /nfs/dbraw/zinc/25/02/72/1422250272.db2.gz NGTSBHXPSFAFGW-UHFFFAOYSA-N 0 1 388.439 3.238 20 0 GGADMN C[C@@H](O)C[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000152800156 1422254101 /nfs/dbraw/zinc/25/41/01/1422254101.db2.gz NTPAGVPJNLKTKN-INMHGKMJSA-N 0 1 387.505 3.254 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@@H]3C[C@H](C)O)n2)ccc1OC(F)F ZINC000152815841 1422259244 /nfs/dbraw/zinc/25/92/44/1422259244.db2.gz SBDRWGXYTTYACT-WCQYABFASA-N 0 1 383.395 3.082 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736201369 1429542724 /nfs/dbraw/zinc/54/27/24/1429542724.db2.gz XHBLIGFYAOQGRT-CQSZACIVSA-N 0 1 384.434 3.024 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)o1 ZINC000152824355 1422262476 /nfs/dbraw/zinc/26/24/76/1422262476.db2.gz QCZRQITUADCARB-AWEZNQCLSA-N 0 1 376.478 3.331 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCSc1ccc(F)cc1 ZINC000152831730 1422264931 /nfs/dbraw/zinc/26/49/31/1422264931.db2.gz CGSAMNXAJRJGJF-UHFFFAOYSA-N 0 1 375.469 3.107 20 0 GGADMN Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc(C)c1OC(F)F ZINC000152838213 1422266269 /nfs/dbraw/zinc/26/62/69/1422266269.db2.gz WAUOAFBHHPJQPR-UHFFFAOYSA-N 0 1 391.418 3.318 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1csc(-c2ccccc2F)n1 ZINC000152841370 1422267944 /nfs/dbraw/zinc/26/79/44/1422267944.db2.gz VHUFWAPNOIHCIN-UHFFFAOYSA-N 0 1 398.463 3.362 20 0 GGADMN CCN(CC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1)C1CC1 ZINC000152843554 1422268633 /nfs/dbraw/zinc/26/86/33/1422268633.db2.gz PVLIJNHMKIDABV-UHFFFAOYSA-N 0 1 388.489 3.305 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000152848480 1422270361 /nfs/dbraw/zinc/27/03/61/1422270361.db2.gz OADJMYRSHRFHNC-UHFFFAOYSA-N 0 1 390.443 3.287 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)NCc2ccc(C)cc2)CC1 ZINC000179758182 1429543606 /nfs/dbraw/zinc/54/36/06/1429543606.db2.gz BNGMLDXKQNEMKF-UHFFFAOYSA-N 0 1 382.504 3.301 20 0 GGADMN Cc1cc(Br)ccc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000152855686 1422272435 /nfs/dbraw/zinc/27/24/35/1422272435.db2.gz YYFLXDCXUYOXKC-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000152854867 1422272491 /nfs/dbraw/zinc/27/24/91/1422272491.db2.gz PQTZZJVIJPVBPP-UHFFFAOYSA-N 0 1 398.850 3.408 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H](O)c1c(F)cccc1F ZINC000152862167 1422274876 /nfs/dbraw/zinc/27/48/76/1422274876.db2.gz CXGOYSGKNVXTQR-IAGOWNOFSA-N 0 1 393.434 3.118 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1c(Cl)c2ccccc2n1C ZINC000152864593 1422276106 /nfs/dbraw/zinc/27/61/06/1422276106.db2.gz DIMYMSJPCJDFDV-UHFFFAOYSA-N 0 1 384.867 3.245 20 0 GGADMN CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000152865063 1422276153 /nfs/dbraw/zinc/27/61/53/1422276153.db2.gz MVEHCFIUGYSBCG-HNNXBMFYSA-N 0 1 383.492 3.377 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N(CC)c1cccc3ccccc31)CC2 ZINC000152864880 1422276485 /nfs/dbraw/zinc/27/64/85/1422276485.db2.gz OECFWUKSQMRQEA-FGZHOGPDSA-N 0 1 396.531 3.445 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[C@@H]2O)N2CCCCC2)cc1 ZINC000152872302 1422278568 /nfs/dbraw/zinc/27/85/68/1422278568.db2.gz LXWNVJHQPPTKSC-NRSPTQNISA-N 0 1 389.540 3.073 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000152875530 1422279519 /nfs/dbraw/zinc/27/95/19/1422279519.db2.gz CZBYKBMAFIORAE-WMZOPIPTSA-N 0 1 381.476 3.113 20 0 GGADMN COc1cccc(CNC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179760663 1429545473 /nfs/dbraw/zinc/54/54/73/1429545473.db2.gz NWVQYLWVHQBTDT-HNNXBMFYSA-N 0 1 381.476 3.011 20 0 GGADMN CC(C)c1nnc(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 ZINC000179760276 1429544707 /nfs/dbraw/zinc/54/47/07/1429544707.db2.gz GOZOMJKLIXVFML-GFCCVEGCSA-N 0 1 387.509 3.299 20 0 GGADMN COc1ccccc1COC1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000179759988 1429544889 /nfs/dbraw/zinc/54/48/89/1429544889.db2.gz HWIOGVHBOMUQMY-GOSISDBHSA-N 0 1 382.504 3.381 20 0 GGADMN C[C@H](NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000152906264 1422291120 /nfs/dbraw/zinc/29/11/20/1422291120.db2.gz XSAXEKOZZCEFNX-HNNXBMFYSA-N 0 1 394.924 3.212 20 0 GGADMN CC[C@@H](CSc1ccccc1)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000152919006 1422295800 /nfs/dbraw/zinc/29/58/00/1422295800.db2.gz ZZBCOISSPMQWCO-OALUTQOASA-N 0 1 391.581 3.311 20 0 GGADMN CC[C@@H](CSc1ccccc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000152918809 1422296113 /nfs/dbraw/zinc/29/61/13/1422296113.db2.gz ZZBCOISSPMQWCO-MOPGFXCFSA-N 0 1 391.581 3.311 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(Cl)ncc3Cl)n2)cc1 ZINC000152922543 1422297030 /nfs/dbraw/zinc/29/70/30/1422297030.db2.gz PSHUGHCVVBKYQF-UHFFFAOYSA-N 0 1 378.219 3.112 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cc(Cl)ncc3Cl)n[nH]2)cc1 ZINC000152922543 1422297036 /nfs/dbraw/zinc/29/70/36/1422297036.db2.gz PSHUGHCVVBKYQF-UHFFFAOYSA-N 0 1 378.219 3.112 20 0 GGADMN C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413732 1429545989 /nfs/dbraw/zinc/54/59/89/1429545989.db2.gz VBWVOKPTWCTUMS-OAHLLOKOSA-N 0 1 380.471 3.321 20 0 GGADMN CC[C@H](CSc1ccccc1)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000152928977 1422299457 /nfs/dbraw/zinc/29/94/57/1422299457.db2.gz WUHFXZOBLWURQO-LJQANCHMSA-N 0 1 391.581 3.311 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)ccc2Cl)N(C)C)c1 ZINC000152931236 1422299882 /nfs/dbraw/zinc/29/98/82/1422299882.db2.gz LJZGMVRHLGPSNM-GOSISDBHSA-N 0 1 389.883 3.015 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](O)c1ccccc1Cl)c1cccc(F)c1 ZINC000152938758 1422302500 /nfs/dbraw/zinc/30/25/00/1422302500.db2.gz ZPJANNALCHQOOU-QZTJIDSGSA-N 0 1 379.863 3.115 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(-c3ncco3)c2)N(C)C)cc1 ZINC000152940169 1422302982 /nfs/dbraw/zinc/30/29/82/1422302982.db2.gz RLXKYEAPDNUOJI-IBGZPJMESA-N 0 1 392.459 3.008 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(-c2ncco2)c1)c1ccco1 ZINC000152941374 1422303007 /nfs/dbraw/zinc/30/30/07/1422303007.db2.gz RKFABBLCOOPAQJ-QGZVFWFLSA-N 0 1 396.447 3.072 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3ccccc3Cl)cn2)CC1 ZINC000152943810 1422303683 /nfs/dbraw/zinc/30/36/83/1422303683.db2.gz ZSMGWFUIJBXZRP-UHFFFAOYSA-N 0 1 396.882 3.129 20 0 GGADMN O=C(CN[C@H](CCCO)c1ccccc1)N[C@H](c1nccs1)c1ccccc1 ZINC000179762204 1429546648 /nfs/dbraw/zinc/54/66/48/1429546648.db2.gz MVYVUDCIXSLCJJ-CTNGQTDRSA-N 0 1 395.528 3.452 20 0 GGADMN CC[C@@H](CSc1ccccc1)NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000152955234 1422307197 /nfs/dbraw/zinc/30/71/97/1422307197.db2.gz JTVIOPFJHSSNHB-KRWDZBQOSA-N 0 1 377.554 3.064 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)CC1(C)OCCO1 ZINC000152965162 1422310373 /nfs/dbraw/zinc/31/03/73/1422310373.db2.gz BAOYVTSDIZBHRN-GOSISDBHSA-N 0 1 389.540 3.082 20 0 GGADMN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1C ZINC000152970866 1422311701 /nfs/dbraw/zinc/31/17/01/1422311701.db2.gz KTQXBCNARUESLA-KRWDZBQOSA-N 0 1 394.479 3.007 20 0 GGADMN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1C ZINC000152970774 1422311759 /nfs/dbraw/zinc/31/17/59/1422311759.db2.gz KTQXBCNARUESLA-QGZVFWFLSA-N 0 1 394.479 3.007 20 0 GGADMN O[C@@H](CNCc1c(Cl)nc2ccccn21)c1cc(Cl)c2c(c1)OCCO2 ZINC000152974711 1422312464 /nfs/dbraw/zinc/31/24/64/1422312464.db2.gz WXWNUSFQCIPBNA-AWEZNQCLSA-N 0 1 394.258 3.236 20 0 GGADMN O=C(NC1CC1)c1cccc(OC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)c1 ZINC000152983210 1422316632 /nfs/dbraw/zinc/31/66/32/1422316632.db2.gz GAPRVDJWWBWQCV-UHFFFAOYSA-N 0 1 388.427 3.461 20 0 GGADMN O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c1OCO2 ZINC000152987619 1422317818 /nfs/dbraw/zinc/31/78/18/1422317818.db2.gz XUCLJKCKPXVXQE-KRWDZBQOSA-N 0 1 390.443 3.311 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)C2)CC1 ZINC000152990047 1422318609 /nfs/dbraw/zinc/31/86/09/1422318609.db2.gz QVGZQCJRGCKEHX-TZIWHRDSSA-N 0 1 384.568 3.122 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H]2OCCC[C@@H]2C1)c1ccc(OC(F)(F)F)cc1 ZINC000153013131 1422326168 /nfs/dbraw/zinc/32/61/68/1422326168.db2.gz ROPDJNMOPNHPFX-YSVLISHTSA-N 0 1 386.414 3.263 20 0 GGADMN CC(=O)N(Cc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1)C(C)C ZINC000153020597 1422328599 /nfs/dbraw/zinc/32/85/99/1422328599.db2.gz GEFLCMCVXCTNKS-UHFFFAOYSA-N 0 1 377.448 3.481 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cnc(Cl)cc2C)ccc1Cl ZINC000153025616 1422331004 /nfs/dbraw/zinc/33/10/04/1422331004.db2.gz PXYAXNNYGQLZKN-UHFFFAOYSA-N 0 1 375.233 3.284 20 0 GGADMN Cc1cc(C)cc(CCNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000179765673 1429548703 /nfs/dbraw/zinc/54/87/03/1429548703.db2.gz FZUNKMJSDJRKNS-UHFFFAOYSA-N 0 1 386.402 3.415 20 0 GGADMN Cc1ccc(CNCc2cn(C)nc2-c2ccncc2)c(OC[C@@H]2CCOC2)c1 ZINC000153044985 1422337533 /nfs/dbraw/zinc/33/75/33/1422337533.db2.gz VZXTVDHIQDFSKT-GOSISDBHSA-N 0 1 392.503 3.496 20 0 GGADMN Cc1ccc(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000153049510 1422339408 /nfs/dbraw/zinc/33/94/08/1422339408.db2.gz DKVDWGAMVRMMAX-HXUWFJFHSA-N 0 1 388.471 3.460 20 0 GGADMN CN(CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1)[C@@H]1CCSC1 ZINC000153065312 1422344505 /nfs/dbraw/zinc/34/45/05/1422344505.db2.gz OUBPBYSUUIZNOI-IAGOWNOFSA-N 0 1 386.521 3.228 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000153074634 1422348133 /nfs/dbraw/zinc/34/81/33/1422348133.db2.gz ZIPNBSHUTPTJBZ-HNAYVOBHSA-N 0 1 394.947 3.107 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000153074423 1422348170 /nfs/dbraw/zinc/34/81/70/1422348170.db2.gz ZIPNBSHUTPTJBZ-KXBFYZLASA-N 0 1 394.947 3.107 20 0 GGADMN CN(CCc1ccccn1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000153083936 1422351364 /nfs/dbraw/zinc/35/13/64/1422351364.db2.gz HXWBVIQVEAFSIT-SFHVURJKSA-N 0 1 375.419 3.353 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000153090352 1422353300 /nfs/dbraw/zinc/35/33/00/1422353300.db2.gz LWXUHVKLEHMDHN-YJBOKZPZSA-N 0 1 399.466 3.252 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)cc(F)c2)N2CCCC2)c1 ZINC000153095261 1422354770 /nfs/dbraw/zinc/35/47/70/1422354770.db2.gz GQNDNPJWKFNCIB-FQEVSTJZSA-N 0 1 399.466 3.035 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)cc2=O)cc1 ZINC000153100464 1422356687 /nfs/dbraw/zinc/35/66/87/1422356687.db2.gz WOINAIWESJSIRE-UHFFFAOYSA-N 0 1 392.503 3.114 20 0 GGADMN C[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179775022 1429554391 /nfs/dbraw/zinc/55/43/91/1429554391.db2.gz FECHSOYRDYUDFD-ZDUSSCGKSA-N 0 1 387.430 3.280 20 0 GGADMN C[C@@H](CNC(=O)c1cn(C)nc1-c1cccs1)N1CCc2ccccc2C1 ZINC000153148885 1422372595 /nfs/dbraw/zinc/37/25/95/1422372595.db2.gz MVQSRCBOCFGVKF-HNNXBMFYSA-N 0 1 380.517 3.325 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2)n[nH]1 ZINC000179776103 1429555084 /nfs/dbraw/zinc/55/50/84/1429555084.db2.gz XBFLPTMROYDPER-OAHLLOKOSA-N 0 1 392.467 3.187 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000153163290 1422378225 /nfs/dbraw/zinc/37/82/25/1422378225.db2.gz RFJNXQDSJPSSTE-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000153163180 1422378248 /nfs/dbraw/zinc/37/82/48/1422378248.db2.gz RFJNXQDSJPSSTE-ACJLOTCBSA-N 0 1 389.858 3.054 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000153166949 1422379104 /nfs/dbraw/zinc/37/91/04/1422379104.db2.gz VJCOGOVDVDJNCS-NJAFHUGGSA-N 0 1 387.911 3.336 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1Cl ZINC000153166841 1422379308 /nfs/dbraw/zinc/37/93/08/1422379308.db2.gz VJCOGOVDVDJNCS-SZMVWBNQSA-N 0 1 387.911 3.336 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000153167204 1422379345 /nfs/dbraw/zinc/37/93/45/1422379345.db2.gz ZQVYZPDCAMWQSE-LAUBAEHRSA-N 0 1 395.503 3.051 20 0 GGADMN C[C@H](NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000153169297 1422379777 /nfs/dbraw/zinc/37/97/77/1422379777.db2.gz VPWUFEGAPQHOBR-BEVDRBHNSA-N 0 1 387.911 3.336 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000153172523 1422380685 /nfs/dbraw/zinc/38/06/85/1422380685.db2.gz GPYWEDUXRFMCCM-ACJLOTCBSA-N 0 1 389.858 3.054 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000153178471 1422382836 /nfs/dbraw/zinc/38/28/36/1422382836.db2.gz PQKTUSZAAJUYGM-MOPGFXCFSA-N 0 1 378.432 3.406 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000153212573 1422395452 /nfs/dbraw/zinc/39/54/52/1422395452.db2.gz SCORGSQBYDHZDY-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN CCOCCCNC(=O)C1CCN(Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000153213309 1422395658 /nfs/dbraw/zinc/39/56/58/1422395658.db2.gz RJJIZPDNIPYCIC-UHFFFAOYSA-N 0 1 391.537 3.466 20 0 GGADMN CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153218291 1422397456 /nfs/dbraw/zinc/39/74/56/1422397456.db2.gz CUKKYVWPZJQXKJ-KGLIPLIRSA-N 0 1 397.445 3.183 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)N(CCN(C)C)CC2CCCCC2)ccc1C ZINC000153222113 1422399220 /nfs/dbraw/zinc/39/92/20/1422399220.db2.gz RCLVGBFMZHXIFW-UHFFFAOYSA-N 0 1 395.569 3.086 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ncccc2C(F)(F)F)c1 ZINC000153224030 1422399515 /nfs/dbraw/zinc/39/95/15/1422399515.db2.gz ZPSXGGOMMXJZHQ-KRWDZBQOSA-N 0 1 378.398 3.162 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179771877 1429552628 /nfs/dbraw/zinc/55/26/28/1429552628.db2.gz ZNLOQLWZIWPWFL-MRXNPFEDSA-N 0 1 395.503 3.149 20 0 GGADMN Cn1ccnc1-c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179777718 1429556653 /nfs/dbraw/zinc/55/66/53/1429556653.db2.gz IHLYPNYMLXTAIU-MRXNPFEDSA-N 0 1 391.479 3.494 20 0 GGADMN COC(=O)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1C ZINC000179778737 1429557307 /nfs/dbraw/zinc/55/73/07/1429557307.db2.gz NPXBXEJLSLSCSH-AWEZNQCLSA-N 0 1 383.452 3.189 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C[C@@H](O)c1cccc(F)c1)N1CCCC1 ZINC000153286144 1422440379 /nfs/dbraw/zinc/44/03/79/1422440379.db2.gz XQAXTUWOBIVMOO-VQTJNVASSA-N 0 1 386.467 3.211 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C)N1CCCC1 ZINC000153286379 1422440922 /nfs/dbraw/zinc/44/09/22/1422440922.db2.gz ZHVYNVKHAXQXSP-BEFAXECRSA-N 0 1 384.524 3.482 20 0 GGADMN Cc1cc([C@H](C)NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c(C)s1 ZINC000153293313 1422445858 /nfs/dbraw/zinc/44/58/58/1422445858.db2.gz COAVJFYIPVKNIA-IPELMVKDSA-N 0 1 387.549 3.361 20 0 GGADMN O=C(C[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1 ZINC000153295853 1422449377 /nfs/dbraw/zinc/44/93/77/1422449377.db2.gz TZXZVEXNCANPHR-SFHVURJKSA-N 0 1 375.428 3.191 20 0 GGADMN CC(C)C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C[C@H](O)c1ccc(F)cc1 ZINC000824255185 1429558899 /nfs/dbraw/zinc/55/88/99/1429558899.db2.gz BVPSWKWKDZKCLO-KRWDZBQOSA-N 0 1 375.473 3.259 20 0 GGADMN CS[C@H]1CCCCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1 ZINC000153307586 1422458844 /nfs/dbraw/zinc/45/88/44/1422458844.db2.gz OAKIVFGKGNPRSB-SFHVURJKSA-N 0 1 376.570 3.496 20 0 GGADMN Cc1cc(CC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)n[nH]1 ZINC000153313477 1422462566 /nfs/dbraw/zinc/46/25/66/1422462566.db2.gz RADBQRMSGGIXKC-UHFFFAOYSA-N 0 1 394.500 3.468 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000179781708 1429559704 /nfs/dbraw/zinc/55/97/04/1429559704.db2.gz IZXXEDNZMBFZLR-MRXNPFEDSA-N 0 1 395.503 3.401 20 0 GGADMN CC(=O)NCc1ccc(-c2nc(NC(=O)Cc3cc(C)[nH]n3)sc2C)s1 ZINC000153327227 1422471462 /nfs/dbraw/zinc/47/14/62/1422471462.db2.gz SWZHIJJGOSISLM-UHFFFAOYSA-N 0 1 389.506 3.029 20 0 GGADMN Cc1cccn2c(=O)cc(CN[C@H](C)c3ccc(NC(=O)C4CC4)cc3)nc12 ZINC000179781877 1429560491 /nfs/dbraw/zinc/56/04/91/1429560491.db2.gz LUGQLRJABAJXGL-OAHLLOKOSA-N 0 1 376.460 3.202 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000153333090 1422476104 /nfs/dbraw/zinc/47/61/04/1422476104.db2.gz WRQOPEMAJJRETE-HSZRJFAPSA-N 0 1 393.531 3.194 20 0 GGADMN COC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(F)c1 ZINC000179782150 1429560565 /nfs/dbraw/zinc/56/05/65/1429560565.db2.gz OXFPEEFMTSARAQ-CYBMUJFWSA-N 0 1 387.415 3.019 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cnn(CC(F)(F)F)c3)n2)cc1 ZINC000153336099 1422477462 /nfs/dbraw/zinc/47/74/62/1422477462.db2.gz XHGBOPWXQBEYLJ-UHFFFAOYSA-N 0 1 396.398 3.270 20 0 GGADMN Cc1csc2nc(CN[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)cc(=O)n12 ZINC000179781827 1429560819 /nfs/dbraw/zinc/56/08/19/1429560819.db2.gz CRYNCCNROCVIED-ZDUSSCGKSA-N 0 1 382.489 3.264 20 0 GGADMN CN1CCN(c2ccc(NCc3ccccc3OCc3ccccn3)cn2)CC1 ZINC000153338972 1422478946 /nfs/dbraw/zinc/47/89/46/1422478946.db2.gz HUYGXRGUGAEPGP-UHFFFAOYSA-N 0 1 389.503 3.420 20 0 GGADMN C[C@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(F)cc1F ZINC000153357953 1422490808 /nfs/dbraw/zinc/49/08/08/1422490808.db2.gz PJLTWFYWXQATDH-GFCCVEGCSA-N 0 1 375.419 3.258 20 0 GGADMN C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(F)cc1F ZINC000153357862 1422491183 /nfs/dbraw/zinc/49/11/83/1422491183.db2.gz PJLTWFYWXQATDH-LBPRGKRZSA-N 0 1 375.419 3.258 20 0 GGADMN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000153359683 1422491917 /nfs/dbraw/zinc/49/19/17/1422491917.db2.gz LDEGLPMKVNMZHZ-GOSISDBHSA-N 0 1 375.513 3.024 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccnc(OC3CCCC3)c2)cc1 ZINC000153365482 1422497536 /nfs/dbraw/zinc/49/75/36/1422497536.db2.gz ZJGRREORLGVPCH-OAHLLOKOSA-N 0 1 389.521 3.162 20 0 GGADMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C)N[C@H](C)C3)cc12 ZINC000153365339 1422497726 /nfs/dbraw/zinc/49/77/26/1422497726.db2.gz SVRYGPDOTIQTRO-CHWSQXEVSA-N 0 1 386.496 3.416 20 0 GGADMN COc1cc(F)c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000179786100 1429562792 /nfs/dbraw/zinc/56/27/92/1429562792.db2.gz REEISANGCZFESY-LBPRGKRZSA-N 0 1 389.431 3.250 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1cccs1 ZINC000179786580 1429563226 /nfs/dbraw/zinc/56/32/26/1429563226.db2.gz WTGUWIVTSVVVLY-CQSZACIVSA-N 0 1 393.875 3.154 20 0 GGADMN C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc([S@@](C)=O)cc1 ZINC000153410593 1422521299 /nfs/dbraw/zinc/52/12/99/1422521299.db2.gz RXSKOELFMGEHMP-ZDNGHDIGSA-N 0 1 386.517 3.392 20 0 GGADMN O=S(=O)(NC1CCN(CCc2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 ZINC000153421363 1422526269 /nfs/dbraw/zinc/52/62/69/1422526269.db2.gz MDZLHCDWABVKTO-UHFFFAOYSA-N 0 1 398.450 3.089 20 0 GGADMN C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(O)c1)C(=O)c1cccc(F)c1 ZINC000153429779 1422531335 /nfs/dbraw/zinc/53/13/35/1422531335.db2.gz PAUZKTFQCWOAFJ-INIZCTEOSA-N 0 1 386.467 3.331 20 0 GGADMN C[C@H](Nc1ccccc1N1CCN(CCc2ccncc2)CC1)[C@H]1CCOC1 ZINC000179789085 1429565571 /nfs/dbraw/zinc/56/55/71/1429565571.db2.gz GATBSXCOZDCXNT-FPOVZHCZSA-N 0 1 380.536 3.283 20 0 GGADMN C[C@@H](Nc1ccccc1N1CCN(CCc2ccncc2)CC1)[C@H]1CCOC1 ZINC000179789102 1429565580 /nfs/dbraw/zinc/56/55/80/1429565580.db2.gz GATBSXCOZDCXNT-CTNGQTDRSA-N 0 1 380.536 3.283 20 0 GGADMN O=C(CN1CC[C@]2(CCOC2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000153453464 1422545082 /nfs/dbraw/zinc/54/50/82/1422545082.db2.gz HPDGHHUWQWRDTO-NRFANRHFSA-N 0 1 383.517 3.425 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCc2cc3ccccc3[nH]2)N(C)C)c1 ZINC000153463769 1422551464 /nfs/dbraw/zinc/55/14/64/1422551464.db2.gz LFVMSGNTWLFLDL-NRFANRHFSA-N 0 1 380.492 3.321 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000153488868 1422565401 /nfs/dbraw/zinc/56/54/01/1422565401.db2.gz MAQIPACRLNLBBE-QGZVFWFLSA-N 0 1 378.407 3.346 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC(OC(C)=O)CC2)cc1 ZINC000153493521 1422569672 /nfs/dbraw/zinc/56/96/72/1422569672.db2.gz SNLNIVIPFDKKDP-NRFANRHFSA-N 0 1 388.508 3.166 20 0 GGADMN Cc1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000153497669 1422570344 /nfs/dbraw/zinc/57/03/44/1422570344.db2.gz ULQAKOXYQFFRKT-SFHVURJKSA-N 0 1 386.517 3.249 20 0 GGADMN CN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@H]1CCCN(C)C1 ZINC000153510967 1422577742 /nfs/dbraw/zinc/57/77/42/1422577742.db2.gz DVNWFSGECIKFHF-INIZCTEOSA-N 0 1 399.495 3.301 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc3[nH]nnc3c2)n1-c1cc(C)ccc1C ZINC000153511073 1422577974 /nfs/dbraw/zinc/57/79/74/1422577974.db2.gz VHQALWWJZBTCPI-UHFFFAOYSA-N 0 1 393.476 3.195 20 0 GGADMN CC[C@](C)(CCO)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153525048 1422585756 /nfs/dbraw/zinc/58/57/56/1422585756.db2.gz OWJWFGJTKVBQOU-POZUXBRTSA-N 0 1 385.911 3.322 20 0 GGADMN C[C@H](O)C1CCN(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000153533767 1422591823 /nfs/dbraw/zinc/59/18/23/1422591823.db2.gz CVRXDOWXNWWYDS-IYJAJMOOSA-N 0 1 397.922 3.274 20 0 GGADMN Cn1cc(CN2CCCN(C(=O)c3ccsc3)CC2)c(-c2ccccc2)n1 ZINC000179796422 1429570509 /nfs/dbraw/zinc/57/05/09/1429570509.db2.gz DBSVZLAINKUUEU-UHFFFAOYSA-N 0 1 380.517 3.497 20 0 GGADMN C[C@H](NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1ccc(F)cc1Cl ZINC000153541110 1422596908 /nfs/dbraw/zinc/59/69/08/1422596908.db2.gz KKPARQFYXHURGO-KGLIPLIRSA-N 0 1 383.895 3.435 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CC(C)C[C@H](O)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153561113 1422616885 /nfs/dbraw/zinc/61/68/85/1422616885.db2.gz XBBXZYZITVTZJW-RLFYNMQTSA-N 0 1 385.911 3.178 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000153564983 1422620218 /nfs/dbraw/zinc/62/02/18/1422620218.db2.gz ZHMJJRFONXOLQO-UHFFFAOYSA-N 0 1 392.440 3.184 20 0 GGADMN CC(C)C[C@H](CO)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153565790 1422621223 /nfs/dbraw/zinc/62/12/23/1422621223.db2.gz BQTICVMERZGKSF-IIDMSEBBSA-N 0 1 385.911 3.178 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1)N1CCN(C)CC1 ZINC000153565840 1422621548 /nfs/dbraw/zinc/62/15/48/1422621548.db2.gz MGCMAYILJIZOTI-LEWJYISDSA-N 0 1 386.584 3.094 20 0 GGADMN CN1CC[C@H](CNC(=O)NCC2(O)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000153579952 1422631066 /nfs/dbraw/zinc/63/10/66/1422631066.db2.gz BQXLYMYNKJXXPC-QAPCUYQASA-N 0 1 397.922 3.466 20 0 GGADMN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000153579480 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396.447 3.072 20 0 GGADMN CC(C)CSCCCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000153605950 1422644248 /nfs/dbraw/zinc/64/42/48/1422644248.db2.gz HWBSUJUSQJRQEZ-HXUWFJFHSA-N 0 1 375.582 3.189 20 0 GGADMN CCn1c(SCC(=O)Nc2ccc3[nH]nnc3c2)nnc1-c1cccc(C)c1 ZINC000153606923 1422645479 /nfs/dbraw/zinc/64/54/79/1422645479.db2.gz GILOPWGSPNAVCP-UHFFFAOYSA-N 0 1 393.476 3.276 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000153610594 1422646340 /nfs/dbraw/zinc/64/63/40/1422646340.db2.gz SMDFSEXGHMAYGP-IEBWSBKVSA-N 0 1 387.915 3.057 20 0 GGADMN CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000153610714 1422646484 /nfs/dbraw/zinc/64/64/84/1422646484.db2.gz YFCYUCZMFJQHRL-MAUKXSAKSA-N 0 1 382.460 3.266 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CCN1C[C@@H](C)O ZINC000153638214 1422667056 /nfs/dbraw/zinc/66/70/56/1422667056.db2.gz FYCDSJJIYHYARA-ZBFHGGJFSA-N 0 1 388.512 3.434 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCOC[C@@H]1C1CC1 ZINC000153647039 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390.365 3.474 20 0 GGADMN O=C(CN[C@H](Cc1ccccc1)c1ccccc1F)NC(=O)NCC(F)(F)F ZINC000179807539 1429580454 /nfs/dbraw/zinc/58/04/54/1429580454.db2.gz KAALQMCLOAUBIV-MRXNPFEDSA-N 0 1 397.372 3.087 20 0 GGADMN COC(=O)[C@@H](C)CN(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C1CC1 ZINC000153724685 1422723376 /nfs/dbraw/zinc/72/33/76/1422723376.db2.gz NHDMOFYNSXVHHI-INIZCTEOSA-N 0 1 395.503 3.057 20 0 GGADMN COC(=O)c1cc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)oc1C ZINC000153724317 1422723592 /nfs/dbraw/zinc/72/35/92/1422723592.db2.gz WWQCIKNHAHABHI-OAHLLOKOSA-N 0 1 394.353 3.391 20 0 GGADMN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c[nH]1 ZINC000153751148 1422738138 /nfs/dbraw/zinc/73/81/38/1422738138.db2.gz PWDWXDSMPNBBGQ-UHFFFAOYSA-N 0 1 379.504 3.344 20 0 GGADMN COC(=O)[C@H](C)CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1 ZINC000153767882 1422745946 /nfs/dbraw/zinc/74/59/46/1422745946.db2.gz MYIPKJAULRPUSS-QGZVFWFLSA-N 0 1 387.524 3.279 20 0 GGADMN Cc1c2ccccc2oc1CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000153781832 1422754342 /nfs/dbraw/zinc/75/43/42/1422754342.db2.gz YDTGIGMGYLQKDI-RBUKOAKNSA-N 0 1 393.487 3.176 20 0 GGADMN COc1cc(CN[C@H]2CCN(c3ccccc3F)C2=O)c(SC)cc1OC ZINC000153782824 1422754868 /nfs/dbraw/zinc/75/48/68/1422754868.db2.gz QMXYJQTWTNLGIY-HNNXBMFYSA-N 0 1 390.480 3.460 20 0 GGADMN CCc1ccc([C@H]2COCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)o1 ZINC000153798378 1422763584 /nfs/dbraw/zinc/76/35/84/1422763584.db2.gz HRSIUUUFPMEWSB-LJQANCHMSA-N 0 1 381.432 3.454 20 0 GGADMN NC(=O)c1cccc(OCCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000153801868 1422766366 /nfs/dbraw/zinc/76/63/66/1422766366.db2.gz UBMBOHRFDFZWQY-UHFFFAOYSA-N 0 1 392.337 3.088 20 0 GGADMN O=C(Cn1cc(C2CC2)nn1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000153811014 1422772531 /nfs/dbraw/zinc/77/25/31/1422772531.db2.gz AYGOMYXGXYSCBI-UHFFFAOYSA-N 0 1 376.395 3.477 20 0 GGADMN CN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)[C@@H]1CCCN(C)C1 ZINC000153815529 1422775431 /nfs/dbraw/zinc/77/54/31/1422775431.db2.gz GZKWONUTSMHAFX-LJQANCHMSA-N 0 1 375.476 3.101 20 0 GGADMN O=C(N[C@H](CCO)c1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000153815199 1422775532 /nfs/dbraw/zinc/77/55/32/1422775532.db2.gz XIVRLWWGKZTHNN-OAQYLSRUSA-N 0 1 385.483 3.213 20 0 GGADMN C[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C[C@H](C)N1 ZINC000153827705 1422782731 /nfs/dbraw/zinc/78/27/31/1422782731.db2.gz BMXXEULBQVIYFJ-KBPBESRZSA-N 0 1 383.517 3.312 20 0 GGADMN CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000153840224 1422792109 /nfs/dbraw/zinc/79/21/09/1422792109.db2.gz VBFOLTXAGOHWCB-AVRDEDQJSA-N 0 1 399.579 3.395 20 0 GGADMN CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000153839914 1422792300 /nfs/dbraw/zinc/79/23/00/1422792300.db2.gz VBFOLTXAGOHWCB-XMSQKQJNSA-N 0 1 399.579 3.395 20 0 GGADMN CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000153840122 1422792625 /nfs/dbraw/zinc/79/26/25/1422792625.db2.gz VBFOLTXAGOHWCB-GCJKJVERSA-N 0 1 399.579 3.395 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000153859149 1422800550 /nfs/dbraw/zinc/80/05/50/1422800550.db2.gz VJOFYQWUKYZZFJ-CBNMVNINSA-N 0 1 391.600 3.430 20 0 GGADMN Cc1c(C(=O)N2C[C@H](C)N[C@@H](C)C2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000153859463 1422800573 /nfs/dbraw/zinc/80/05/73/1422800573.db2.gz VHUGVDVMFRDYIJ-HOTGVXAUSA-N 0 1 375.476 3.065 20 0 GGADMN O=C(c1ncccc1[O-])N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000153926718 1422812240 /nfs/dbraw/zinc/81/22/40/1422812240.db2.gz ZBLYWDBWSRAHPE-INIZCTEOSA-N 0 1 393.409 3.314 20 0 GGADMN O=C(c1ncccc1[O-])N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000153926718 1422812242 /nfs/dbraw/zinc/81/22/42/1422812242.db2.gz ZBLYWDBWSRAHPE-INIZCTEOSA-N 0 1 393.409 3.314 20 0 GGADMN COc1ccc(C(F)(F)C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1 ZINC000153950928 1422816102 /nfs/dbraw/zinc/81/61/02/1422816102.db2.gz YKHJABITKZGZPZ-UHFFFAOYSA-N 0 1 375.375 3.345 20 0 GGADMN O=C(CN1CC[C@]2(CCOC2)C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000153962085 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CCOc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc(OCC)c1OCC ZINC000154061394 1422833717 /nfs/dbraw/zinc/83/37/17/1422833717.db2.gz JZEAEDQPCXKXIT-KRWDZBQOSA-N 0 1 378.513 3.295 20 0 GGADMN CCN(CCc1ccccc1)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000154067439 1422834965 /nfs/dbraw/zinc/83/49/65/1422834965.db2.gz CAZCIRHJMNGISW-LJQANCHMSA-N 0 1 381.520 3.311 20 0 GGADMN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154074520 1422836204 /nfs/dbraw/zinc/83/62/04/1422836204.db2.gz GWAOOJANDAEVGT-TXEJJXNPSA-N 0 1 375.856 3.316 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CN3CCCN(C(C)=O)CC3)c2)cc1 ZINC000179811522 1429584922 /nfs/dbraw/zinc/58/49/22/1429584922.db2.gz CMKKVZHJEUVIDA-UHFFFAOYSA-N 0 1 381.476 3.002 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000154082629 1422837577 /nfs/dbraw/zinc/83/75/77/1422837577.db2.gz QAEYJFROQZXLGF-UHFFFAOYSA-N 0 1 377.520 3.360 20 0 GGADMN Cc1ccc(OCc2nc(CC(=O)N3CCN(C)C[C@H]3C(C)C)cs2)cc1 ZINC000154099690 1422840161 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GGADMN C[C@H](c1ccc(Cl)cc1)N(C(=O)CN(C)c1ncnc2[nH]cnc21)C1CC1 ZINC000154195485 1422853524 /nfs/dbraw/zinc/85/35/24/1422853524.db2.gz ATVRGDRFEUOSQI-GFCCVEGCSA-N 0 1 384.871 3.195 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000154198224 1422853857 /nfs/dbraw/zinc/85/38/57/1422853857.db2.gz SVVLGVSNNPUMGW-OPAMFIHVSA-N 0 1 395.503 3.405 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000179822777 1429595790 /nfs/dbraw/zinc/59/57/90/1429595790.db2.gz QWCKYSPQIRMQEH-UHFFFAOYSA-N 0 1 395.369 3.358 20 0 GGADMN CCOc1cc(CN(C)C(=O)CN(C)[C@H]2CCSC2)ccc1OC(F)F ZINC000154238000 1422860076 /nfs/dbraw/zinc/86/00/76/1422860076.db2.gz QCRJGIVUSVYCIA-AWEZNQCLSA-N 0 1 388.480 3.082 20 0 GGADMN CC[C@@](C)(CCO)NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154238356 1422860552 /nfs/dbraw/zinc/86/05/52/1422860552.db2.gz HMWLPCHDSNKXDI-WMZOPIPTSA-N 0 1 387.446 3.130 20 0 GGADMN O=C(C/C=C/c1ccccc1F)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000154248182 1422861679 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3.227 20 0 GGADMN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN[C@H](C)c1ccccc1 ZINC000154281997 1422866678 /nfs/dbraw/zinc/86/66/78/1422866678.db2.gz VVOSMSPQGOXCHK-MRXNPFEDSA-N 0 1 392.459 3.338 20 0 GGADMN O=S1(=O)NC(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)=Nc2ccccc21 ZINC000154299996 1422869013 /nfs/dbraw/zinc/86/90/13/1422869013.db2.gz BTCKJKXBRBOFHO-LAUBAEHRSA-N 0 1 381.501 3.410 20 0 GGADMN O=S1(=O)NC(CN2C[C@@H]3CCCC[C@]32c2ccccc2)=Nc2ccccc21 ZINC000154299866 1422869029 /nfs/dbraw/zinc/86/90/29/1422869029.db2.gz BTCKJKXBRBOFHO-UWJYYQICSA-N 0 1 381.501 3.410 20 0 GGADMN Cc1ccsc1CCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154323561 1422872598 /nfs/dbraw/zinc/87/25/98/1422872598.db2.gz ARUOTRHBIYACEV-UXHICEINSA-N 0 1 386.561 3.378 20 0 GGADMN COc1cccc2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)oc21 ZINC000154329585 1422873675 /nfs/dbraw/zinc/87/36/75/1422873675.db2.gz VRZMLOYZDKBVCU-RTBURBONSA-N 0 1 394.471 3.054 20 0 GGADMN CC(=O)Nc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000154335962 1422874669 /nfs/dbraw/zinc/87/46/69/1422874669.db2.gz LVZZSVXRBJCUKG-NHCUHLMSSA-N 0 1 387.911 3.460 20 0 GGADMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000154346670 1422876270 /nfs/dbraw/zinc/87/62/70/1422876270.db2.gz OPOLSEJEDAQILH-UHFFFAOYSA-N 0 1 383.770 3.154 20 0 GGADMN CC(C)[C@@H](NCCCCN1C(=O)c2ccccc2C1=O)c1nc(C2CC2)no1 ZINC000179818990 1429592233 /nfs/dbraw/zinc/59/22/33/1429592233.db2.gz CGAGMFHQFNVLAJ-QGZVFWFLSA-N 0 1 382.464 3.310 20 0 GGADMN Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000154370487 1422879685 /nfs/dbraw/zinc/87/96/85/1422879685.db2.gz RJVWKOJGPVAXST-MOPGFXCFSA-N 0 1 383.540 3.134 20 0 GGADMN CC(C)(C)OC1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000154388759 1422882672 /nfs/dbraw/zinc/88/26/72/1422882672.db2.gz GWKWXZUDJDTBRB-UHFFFAOYSA-N 0 1 395.588 3.258 20 0 GGADMN O=C(c1ccc(OC2CCC2)cc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000154394011 1422883297 /nfs/dbraw/zinc/88/32/97/1422883297.db2.gz VXHJGEJNXFHTHQ-UHFFFAOYSA-N 0 1 392.927 3.456 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)NCCc3nc4ccc(F)cc4[nH]3)[nH]2)c1 ZINC000154398115 1422883816 /nfs/dbraw/zinc/88/38/16/1422883816.db2.gz ORIMVIXSHLDIEP-UHFFFAOYSA-N 0 1 393.422 3.382 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)N3CCN(C)CC34CCCCC4)[nH]2)c1 ZINC000154402734 1422884536 /nfs/dbraw/zinc/88/45/36/1422884536.db2.gz VARGVBUQDPPGDY-UHFFFAOYSA-N 0 1 382.508 3.484 20 0 GGADMN Cc1nc(COc2ccccc2C(=O)N2CCN(C3CCCCC3)CC2)no1 ZINC000154435975 1422888384 /nfs/dbraw/zinc/88/83/84/1422888384.db2.gz FWSULHZTPNFHJM-UHFFFAOYSA-N 0 1 384.480 3.048 20 0 GGADMN CCN(Cc1cccc(NC(=O)[C@@H](N)c2ccccc2)c1)C(=O)C(F)(F)F ZINC000154462889 1422891848 /nfs/dbraw/zinc/89/18/48/1422891848.db2.gz GNCCCJLTHQVNNR-INIZCTEOSA-N 0 1 379.382 3.236 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CSc1nccc2ccccc21 ZINC000154470530 1422892921 /nfs/dbraw/zinc/89/29/21/1422892921.db2.gz BETZYMKUZOBGLQ-UHFFFAOYSA-N 0 1 394.500 3.126 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CC[NH+](CC2CCCCC2)CC1 ZINC000738436334 1429593414 /nfs/dbraw/zinc/59/34/14/1429593414.db2.gz GAEMUJOUELFDAC-UHFFFAOYSA-N 0 1 392.511 3.267 20 0 GGADMN CCCC[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000154482714 1422894950 /nfs/dbraw/zinc/89/49/50/1422894950.db2.gz BWJFUSLMYYCAIZ-KRWDZBQOSA-N 0 1 396.459 3.395 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3occc3-c3ccc(F)cc3)cn2)CC1 ZINC000154486254 1422895227 /nfs/dbraw/zinc/89/52/27/1422895227.db2.gz KSHTYCDGQRXYEB-UHFFFAOYSA-N 0 1 394.450 3.163 20 0 GGADMN CC[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccc(OC)cc1 ZINC000154490026 1422895921 /nfs/dbraw/zinc/89/59/21/1422895921.db2.gz OBFQOMOWSISIBB-QGZVFWFLSA-N 0 1 382.508 3.364 20 0 GGADMN O=C(c1cnn2c1nccc2-c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000154504664 1422897906 /nfs/dbraw/zinc/89/79/06/1422897906.db2.gz HMNNJFAPXVWKSJ-UHFFFAOYSA-N 0 1 389.503 3.487 20 0 GGADMN CCn1cc(C(=O)C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cn1 ZINC000179821243 1429593784 /nfs/dbraw/zinc/59/37/84/1429593784.db2.gz JXSSDNOMTCVDEF-UHFFFAOYSA-N 0 1 377.379 3.407 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000154515394 1422899124 /nfs/dbraw/zinc/89/91/24/1422899124.db2.gz IGAPPKHSLPRRBL-QGZVFWFLSA-N 0 1 391.943 3.125 20 0 GGADMN CN1CCN([C@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c2ccccc2)CC1 ZINC000179831913 1429601594 /nfs/dbraw/zinc/60/15/94/1429601594.db2.gz XZPKLQQNFHQTFW-SFHVURJKSA-N 0 1 399.445 3.428 20 0 GGADMN Cc1ccc(NC(=O)CCCCC[NH3+])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000154546891 1422919116 /nfs/dbraw/zinc/91/91/16/1422919116.db2.gz NPFPYZSXPNAQLK-UHFFFAOYSA-N 0 1 375.494 3.253 20 0 GGADMN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000154559635 1422929714 /nfs/dbraw/zinc/92/97/14/1422929714.db2.gz AYTXNZMPYRTGFI-LIRRHRJNSA-N 0 1 383.467 3.412 20 0 GGADMN CC(C)NC(=O)Nc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000154560007 1422930348 /nfs/dbraw/zinc/93/03/48/1422930348.db2.gz QPRFQLDILZXTOT-UHFFFAOYSA-N 0 1 386.471 3.347 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1F ZINC000154562584 1422932761 /nfs/dbraw/zinc/93/27/61/1422932761.db2.gz KFLOQCXIBAQRIF-UHFFFAOYSA-N 0 1 397.494 3.056 20 0 GGADMN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000154567068 1422935601 /nfs/dbraw/zinc/93/56/01/1422935601.db2.gz HLSDDLPPQFZNMU-LJQANCHMSA-N 0 1 386.536 3.452 20 0 GGADMN CC(C)(C)n1cc(CN2CCN(CCO)CC2)c(-c2ccccc2Cl)n1 ZINC000154569337 1422937251 /nfs/dbraw/zinc/93/72/51/1422937251.db2.gz BPXIMGGIJLRRHE-UHFFFAOYSA-N 0 1 376.932 3.068 20 0 GGADMN COc1cc(CNC(=O)[C@H]2Cc3ccccc3CN2)ccc1OC1CCCC1 ZINC000154573770 1422939480 /nfs/dbraw/zinc/93/94/80/1422939480.db2.gz ICAXGKFECAYNBV-HXUWFJFHSA-N 0 1 380.488 3.347 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000154580257 1422942488 /nfs/dbraw/zinc/94/24/88/1422942488.db2.gz VVTCRDMQJJTFOS-ZWKOTPCHSA-N 0 1 398.507 3.156 20 0 GGADMN CSc1nc(C)c(CCC(=O)NCc2ccc(CN(C)C)c(F)c2)c(C)n1 ZINC000154583281 1422944153 /nfs/dbraw/zinc/94/41/53/1422944153.db2.gz VHNJEGMDGSYHBZ-UHFFFAOYSA-N 0 1 390.528 3.265 20 0 GGADMN 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GGADMN CS(=O)(=O)c1cccc(OCCN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000155179852 1423216963 /nfs/dbraw/zinc/21/69/63/1423216963.db2.gz ZYIVCYWVJKKYHT-KRWDZBQOSA-N 0 1 377.481 3.173 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000155180078 1423218627 /nfs/dbraw/zinc/21/86/27/1423218627.db2.gz IETWMBJAFKHVCZ-UHFFFAOYSA-N 0 1 388.899 3.285 20 0 GGADMN C[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)C1(N2CCOCC2)CCCC1 ZINC000155188187 1423226746 /nfs/dbraw/zinc/22/67/46/1423226746.db2.gz KPCWRJLYHKLNIM-ROJDOSBLSA-N 0 1 385.533 3.459 20 0 GGADMN Cc1c(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000179885615 1429623931 /nfs/dbraw/zinc/62/39/31/1429623931.db2.gz FKNIEOGPFUKXKE-IRXDYDNUSA-N 0 1 384.524 3.312 20 0 GGADMN COc1cc(N[C@H]2CCCN(CC[S@@](=O)c3ccccc3)C2)cc(OC)c1 ZINC000155190955 1423231288 /nfs/dbraw/zinc/23/12/88/1423231288.db2.gz AUFNKIPTOASMQT-SOKVYYICSA-N 0 1 388.533 3.388 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1C)c1ccccc1 ZINC000155192522 1423232367 /nfs/dbraw/zinc/23/23/67/1423232367.db2.gz TXJFVDSGSPFTJB-NRFANRHFSA-N 0 1 382.508 3.248 20 0 GGADMN C[C@@H]1CSCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825012316 1423235037 /nfs/dbraw/zinc/23/50/37/1423235037.db2.gz GXQUMLQVZGRDIT-OAHLLOKOSA-N 0 1 381.505 3.383 20 0 GGADMN O=C(CCNC(=O)C1CCCCC1)Nc1cccc(CN2CCSCC2)c1 ZINC000155196351 1423235936 /nfs/dbraw/zinc/23/59/36/1423235936.db2.gz SUVLOVLFYIXVAP-UHFFFAOYSA-N 0 1 389.565 3.261 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1ncccc1C(F)(F)F ZINC000179886260 1429625032 /nfs/dbraw/zinc/62/50/32/1429625032.db2.gz BRKSDDIYAGOJER-UHFFFAOYSA-N 0 1 392.425 3.043 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000155209963 1423247092 /nfs/dbraw/zinc/24/70/92/1423247092.db2.gz GRAANAVDIZSUTN-QAPCUYQASA-N 0 1 383.473 3.103 20 0 GGADMN C[C@H](NC(=O)CNC(C)(C)C(=O)NCC1CCCC1)c1ccccc1Cl ZINC000155217611 1423252392 /nfs/dbraw/zinc/25/23/92/1423252392.db2.gz PBDUMXKLYFWYKO-AWEZNQCLSA-N 0 1 379.932 3.192 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)c1ccco1 ZINC000179890100 1429626219 /nfs/dbraw/zinc/62/62/19/1429626219.db2.gz IEBQMONESLTOKU-CQSZACIVSA-N 0 1 399.825 3.349 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ncccc2OCC(F)F)CC1 ZINC000155222281 1423255630 /nfs/dbraw/zinc/25/56/30/1423255630.db2.gz GJRKPKWNEQPMJF-AWEZNQCLSA-N 0 1 390.434 3.076 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3cnc(C)c(Cl)c3Cl)n2)cc1 ZINC000155250256 1423274628 /nfs/dbraw/zinc/27/46/28/1423274628.db2.gz JPXDNVJIPAMXRJ-UHFFFAOYSA-N 0 1 392.246 3.421 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3cnc(C)c(Cl)c3Cl)n[nH]2)cc1 ZINC000155250256 1423274646 /nfs/dbraw/zinc/27/46/46/1423274646.db2.gz JPXDNVJIPAMXRJ-UHFFFAOYSA-N 0 1 392.246 3.421 20 0 GGADMN CC1CC[NH+](Cc2cccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)c2)CC1 ZINC000820722492 1423277421 /nfs/dbraw/zinc/27/74/21/1423277421.db2.gz JJBJWQDWHJBVEE-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000155253114 1423277973 /nfs/dbraw/zinc/27/79/73/1423277973.db2.gz SRXJMVNOYGXGEU-GOSISDBHSA-N 0 1 393.487 3.015 20 0 GGADMN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179895103 1429628583 /nfs/dbraw/zinc/62/85/83/1429628583.db2.gz PRWGYRJGXQIQKA-CKEIUWERSA-N 0 1 396.397 3.141 20 0 GGADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000155258816 1423282060 /nfs/dbraw/zinc/28/20/60/1423282060.db2.gz SHZJIHJXYVRURS-UHFFFAOYSA-N 0 1 375.381 3.105 20 0 GGADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000179901167 1429631728 /nfs/dbraw/zinc/63/17/28/1429631728.db2.gz DNKXVJMXCNHZGY-UHFFFAOYSA-N 0 1 390.365 3.221 20 0 GGADMN Cc1cccc2nc(CNC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)[nH]c21 ZINC000155278875 1423296097 /nfs/dbraw/zinc/29/60/97/1423296097.db2.gz NCVCVPQAMJJWPO-SFHVURJKSA-N 0 1 382.439 3.081 20 0 GGADMN Cc1cccc2nc(CNC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)[nH]c21 ZINC000155278778 1423296254 /nfs/dbraw/zinc/29/62/54/1423296254.db2.gz NCVCVPQAMJJWPO-GOSISDBHSA-N 0 1 382.439 3.081 20 0 GGADMN O[C@@H](CN1CCC(OC[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000155284797 1423299478 /nfs/dbraw/zinc/29/94/78/1423299478.db2.gz DKYSRRPIEKUOAM-YJBOKZPZSA-N 0 1 384.314 3.143 20 0 GGADMN Cc1cccc2nc(CNC(=O)c3nn(C(C)C)c(=O)c4ccccc43)[nH]c21 ZINC000155286873 1423301044 /nfs/dbraw/zinc/30/10/44/1423301044.db2.gz CPCZNFRNIRLWPF-UHFFFAOYSA-N 0 1 375.432 3.092 20 0 GGADMN COC(=O)Nc1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155293042 1423304485 /nfs/dbraw/zinc/30/44/85/1423304485.db2.gz RNFIRVNGZRFCBW-OAHLLOKOSA-N 0 1 382.464 3.215 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)N(C)Cc3cccc(OC)c3OC)C2)cc1 ZINC000155303132 1423309069 /nfs/dbraw/zinc/30/90/69/1423309069.db2.gz JCCQCDZFGYTKFV-SFHVURJKSA-N 0 1 398.503 3.160 20 0 GGADMN Cc1[nH+]ccn1[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000822477647 1423309013 /nfs/dbraw/zinc/30/90/13/1423309013.db2.gz NMDHODLJAKOVIS-ZDUSSCGKSA-N 0 1 396.405 3.040 20 0 GGADMN CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000155304306 1423309469 /nfs/dbraw/zinc/30/94/69/1423309469.db2.gz VMDWXQLYJUVBPR-NRFANRHFSA-N 0 1 385.552 3.319 20 0 GGADMN COc1cccc([C@H](O)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000155319940 1423315288 /nfs/dbraw/zinc/31/52/88/1423315288.db2.gz BMWCQSJPVTUIMV-FQEVSTJZSA-N 0 1 388.895 3.163 20 0 GGADMN COc1ccc([C@H]2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000155325632 1423318012 /nfs/dbraw/zinc/31/80/12/1423318012.db2.gz UKQMMFZOIFTJGH-WBVHZDCISA-N 0 1 382.460 3.283 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)c3cc(OC)no3)cc2Cl)CC1 ZINC000155331503 1423321118 /nfs/dbraw/zinc/32/11/18/1423321118.db2.gz RHAQSIXVDQEYJR-UHFFFAOYSA-N 0 1 378.860 3.121 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCCC3=O)n[nH]2)cc1OC ZINC000155337636 1423322333 /nfs/dbraw/zinc/32/23/33/1423322333.db2.gz YIUYLZGSNLIEHV-MAUKXSAKSA-N 0 1 397.475 3.458 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)N(C)C)c1 ZINC000155342479 1423325030 /nfs/dbraw/zinc/32/50/30/1423325030.db2.gz WTKGKKYPLIHMPQ-ZWKOTPCHSA-N 0 1 397.302 3.455 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824547827 1423325642 /nfs/dbraw/zinc/32/56/42/1423325642.db2.gz SQASRICZVYAFRJ-WMLDXEAASA-N 0 1 398.461 3.460 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)CN(c1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2)CC3 ZINC000826293530 1429632426 /nfs/dbraw/zinc/63/24/26/1429632426.db2.gz SHHGPDPOZVVQGW-UHFFFAOYSA-N 0 1 385.475 3.493 20 0 GGADMN CC(C)(C)n1cc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1 ZINC000179905017 1429632695 /nfs/dbraw/zinc/63/26/95/1429632695.db2.gz UBQPRQZJLQIZNY-UHFFFAOYSA-N 0 1 376.367 3.029 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000155358243 1423330659 /nfs/dbraw/zinc/33/06/59/1423330659.db2.gz LTLLITBQUNKUJC-HRCADAONSA-N 0 1 386.458 3.500 20 0 GGADMN O=c1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nc2sccn21 ZINC000155358043 1423330751 /nfs/dbraw/zinc/33/07/51/1423330751.db2.gz FXDZDZYRHJMGTE-CYBMUJFWSA-N 0 1 386.546 3.471 20 0 GGADMN Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)cc(C)c1F ZINC000155363262 1423333240 /nfs/dbraw/zinc/33/32/40/1423333240.db2.gz FSBIUTFZEZGYDN-UHFFFAOYSA-N 0 1 383.467 3.473 20 0 GGADMN CC(=O)NC[C@H]1CCCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000155363396 1423333400 /nfs/dbraw/zinc/33/34/00/1423333400.db2.gz UHFVMEVQVHIMKK-OAHLLOKOSA-N 0 1 391.313 3.118 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000155362649 1423333749 /nfs/dbraw/zinc/33/37/49/1423333749.db2.gz VBMGEOAVBXTCQG-HRCADAONSA-N 0 1 386.458 3.500 20 0 GGADMN CC(C)(C)CNC(=O)C(C)(C)NCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000155368170 1423336121 /nfs/dbraw/zinc/33/61/21/1423336121.db2.gz RYSAXVJFTNJDQS-MRXNPFEDSA-N 0 1 381.586 3.482 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155367650 1423336397 /nfs/dbraw/zinc/33/63/97/1423336397.db2.gz FWJVIRNVPHMRRP-ZDUSSCGKSA-N 0 1 383.483 3.015 20 0 GGADMN C[C@H](NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1nnc[nH]1 ZINC000155377034 1423339806 /nfs/dbraw/zinc/33/98/06/1423339806.db2.gz ZRAOQUZUKFJPQN-XVKPBYJWSA-N 0 1 381.280 3.487 20 0 GGADMN COc1ccc([C@@H](NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)C(C)C)cc1 ZINC000155377623 1423340139 /nfs/dbraw/zinc/34/01/39/1423340139.db2.gz STBIVGGGICYMKJ-IBGZPJMESA-N 0 1 391.556 3.039 20 0 GGADMN O=C(Cc1c[nH]c2cccc(Br)c12)OCc1ccc2[nH]nnc2c1 ZINC000155384739 1423342322 /nfs/dbraw/zinc/34/23/22/1423342322.db2.gz WQURJXPSGZCFAH-UHFFFAOYSA-N 0 1 385.221 3.488 20 0 GGADMN O=C(Cc1c[nH]c2cccc(Br)c12)OCc1ccc2nn[nH]c2c1 ZINC000155384739 1423342334 /nfs/dbraw/zinc/34/23/34/1423342334.db2.gz WQURJXPSGZCFAH-UHFFFAOYSA-N 0 1 385.221 3.488 20 0 GGADMN Cc1nn2cccnc2c1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000155385336 1423343474 /nfs/dbraw/zinc/34/34/74/1423343474.db2.gz LQJCVTMMJWLKBH-UHFFFAOYSA-N 0 1 381.505 3.147 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723307 1429633780 /nfs/dbraw/zinc/63/37/80/1429633780.db2.gz CYINFGGAPJHKQY-MLGOLLRUSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723307 1429633788 /nfs/dbraw/zinc/63/37/88/1429633788.db2.gz CYINFGGAPJHKQY-MLGOLLRUSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723307 1429633795 /nfs/dbraw/zinc/63/37/95/1429633795.db2.gz CYINFGGAPJHKQY-MLGOLLRUSA-N 0 1 392.429 3.339 20 0 GGADMN CCN(C(=O)CNC(C)(C)C(=O)NCC(C)(C)C)[C@H](C)c1ccc(F)cc1 ZINC000155389975 1423345260 /nfs/dbraw/zinc/34/52/60/1423345260.db2.gz OSIFLBQCOVVPAC-OAHLLOKOSA-N 0 1 379.520 3.266 20 0 GGADMN COc1cc(F)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1OC ZINC000155435245 1423361999 /nfs/dbraw/zinc/36/19/99/1423361999.db2.gz YHMZEXZYUGPRBX-CQSZACIVSA-N 0 1 387.455 3.193 20 0 GGADMN COCCNc1ccccc1CNC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000155434579 1423362484 /nfs/dbraw/zinc/36/24/84/1423362484.db2.gz RDAUISVQUPVUAJ-UHFFFAOYSA-N 0 1 399.560 3.224 20 0 GGADMN CCc1oc2ccccc2c1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000155437102 1423363125 /nfs/dbraw/zinc/36/31/25/1423363125.db2.gz UJBLKXUJTMTFFL-UHFFFAOYSA-N 0 1 399.535 3.352 20 0 GGADMN COCCOCCN(Cc1ccccc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000155458898 1423372655 /nfs/dbraw/zinc/37/26/55/1423372655.db2.gz XLGICJISJYLTRS-UHFFFAOYSA-N 0 1 397.471 3.472 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000155465141 1423375171 /nfs/dbraw/zinc/37/51/71/1423375171.db2.gz DPKNYJKQPPDJLK-LJQANCHMSA-N 0 1 381.467 3.168 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@@H](CO)c2ccccc2)nc1Cc1ccccc1 ZINC000155463610 1423375373 /nfs/dbraw/zinc/37/53/73/1423375373.db2.gz OTBVBMZFMJIAIU-IBGZPJMESA-N 0 1 381.501 3.251 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000155465040 1423375601 /nfs/dbraw/zinc/37/56/01/1423375601.db2.gz DPKNYJKQPPDJLK-IBGZPJMESA-N 0 1 381.467 3.168 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)C1(O)Cc2ccccc2C1 ZINC000155468438 1423377251 /nfs/dbraw/zinc/37/72/51/1423377251.db2.gz FLOYEQBBVKVHAW-UHFFFAOYSA-N 0 1 382.529 3.012 20 0 GGADMN CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000155474844 1423379280 /nfs/dbraw/zinc/37/92/80/1423379280.db2.gz DKEYNFNIPRSPGK-XIKOKIGWSA-N 0 1 396.459 3.251 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(CCOC)CCC2)CC1 ZINC000155487963 1423384096 /nfs/dbraw/zinc/38/40/96/1423384096.db2.gz UZLNTTIGZQBHCV-QGZVFWFLSA-N 0 1 391.531 3.352 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc3nccnc32)CC1 ZINC000155490270 1423384654 /nfs/dbraw/zinc/38/46/54/1423384654.db2.gz WBUIPHRFGGXUEW-AWEZNQCLSA-N 0 1 379.439 3.119 20 0 GGADMN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001139854500 1423384774 /nfs/dbraw/zinc/38/47/74/1423384774.db2.gz LTPVFULCDLSUBI-SFHVURJKSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001139854500 1423384779 /nfs/dbraw/zinc/38/47/79/1423384779.db2.gz LTPVFULCDLSUBI-SFHVURJKSA-N 0 1 398.511 3.231 20 0 GGADMN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001139854500 1423384784 /nfs/dbraw/zinc/38/47/84/1423384784.db2.gz LTPVFULCDLSUBI-SFHVURJKSA-N 0 1 398.511 3.231 20 0 GGADMN c1cc(COc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516454 1423385071 /nfs/dbraw/zinc/38/50/71/1423385071.db2.gz LNOSIVKIFBKSNO-UXHICEINSA-N 0 1 390.491 3.484 20 0 GGADMN c1cc(COc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516454 1423385075 /nfs/dbraw/zinc/38/50/75/1423385075.db2.gz LNOSIVKIFBKSNO-UXHICEINSA-N 0 1 390.491 3.484 20 0 GGADMN c1cc(COc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516454 1423385084 /nfs/dbraw/zinc/38/50/84/1423385084.db2.gz LNOSIVKIFBKSNO-UXHICEINSA-N 0 1 390.491 3.484 20 0 GGADMN Cc1onc(-c2ccccn2)c1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155493170 1423385272 /nfs/dbraw/zinc/38/52/72/1423385272.db2.gz UPYDVVRMBAZMRC-HNNXBMFYSA-N 0 1 391.475 3.395 20 0 GGADMN CCC[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825242538 1423386365 /nfs/dbraw/zinc/38/63/65/1423386365.db2.gz UIOYKWXBXNXGCX-CQSZACIVSA-N 0 1 392.435 3.276 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2N2CCCCC2)CC1 ZINC000155506391 1423391103 /nfs/dbraw/zinc/39/11/03/1423391103.db2.gz LUGQFCVGPNMLDE-SFHVURJKSA-N 0 1 393.535 3.422 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(F)cc1F ZINC000155509756 1423392892 /nfs/dbraw/zinc/39/28/92/1423392892.db2.gz QIRKGAWRSGWBRU-HXUWFJFHSA-N 0 1 395.494 3.416 20 0 GGADMN C[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029647 1423397447 /nfs/dbraw/zinc/39/74/47/1423397447.db2.gz VFERIOBYJXPZTO-CJNGLKHVSA-N 0 1 391.813 3.051 20 0 GGADMN C[N@H+]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029647 1423397459 /nfs/dbraw/zinc/39/74/59/1423397459.db2.gz VFERIOBYJXPZTO-CJNGLKHVSA-N 0 1 391.813 3.051 20 0 GGADMN CCC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000155519522 1423397920 /nfs/dbraw/zinc/39/79/20/1423397920.db2.gz FZERNPXQANTCCX-LJQANCHMSA-N 0 1 381.467 3.312 20 0 GGADMN CC(C)[N@@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289006 1423403248 /nfs/dbraw/zinc/40/32/48/1423403248.db2.gz TYBGDOUMFHUWQQ-UHFFFAOYSA-N 0 1 391.479 3.223 20 0 GGADMN CC(C)[N@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289006 1423403251 /nfs/dbraw/zinc/40/32/51/1423403251.db2.gz TYBGDOUMFHUWQQ-UHFFFAOYSA-N 0 1 391.479 3.223 20 0 GGADMN CC(C)[N@@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289006 1423403255 /nfs/dbraw/zinc/40/32/55/1423403255.db2.gz TYBGDOUMFHUWQQ-UHFFFAOYSA-N 0 1 391.479 3.223 20 0 GGADMN COc1ccc(CNC(=O)CN(C)[C@@H]2CCSC2)cc1OC1CCCC1 ZINC000155540589 1423407992 /nfs/dbraw/zinc/40/79/92/1423407992.db2.gz SFEZJMJLPFPJDD-MRXNPFEDSA-N 0 1 378.538 3.070 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000155542589 1423410423 /nfs/dbraw/zinc/41/04/23/1423410423.db2.gz SREDWAIEBJJHNR-KRWDZBQOSA-N 0 1 394.519 3.177 20 0 GGADMN Cc1nc(-c2ccc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc2)n[nH]1 ZINC000155545477 1423411370 /nfs/dbraw/zinc/41/13/70/1423411370.db2.gz NHBOZRQAGPWISC-OAHLLOKOSA-N 0 1 390.491 3.131 20 0 GGADMN Cc1nc([C@H](C)N2CCN(C(=O)CN(C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000155546119 1423412027 /nfs/dbraw/zinc/41/20/27/1423412027.db2.gz XECXLXMJBACFKY-HNNXBMFYSA-N 0 1 390.915 3.070 20 0 GGADMN CC[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1OCC(=O)N(C)C ZINC000155549218 1423413104 /nfs/dbraw/zinc/41/31/04/1423413104.db2.gz KUQFXWKXQIDRMJ-XHCCPWGMSA-N 0 1 388.533 3.132 20 0 GGADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820242474 1423414683 /nfs/dbraw/zinc/41/46/83/1423414683.db2.gz NJVSFTRANYPVTO-LLVKDONJSA-N 0 1 377.905 3.299 20 0 GGADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820242474 1423414691 /nfs/dbraw/zinc/41/46/91/1423414691.db2.gz NJVSFTRANYPVTO-LLVKDONJSA-N 0 1 377.905 3.299 20 0 GGADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820242474 1423414694 /nfs/dbraw/zinc/41/46/94/1423414694.db2.gz NJVSFTRANYPVTO-LLVKDONJSA-N 0 1 377.905 3.299 20 0 GGADMN CCO[C@H](C)c1nccn1CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000155559442 1423418234 /nfs/dbraw/zinc/41/82/34/1423418234.db2.gz IGTDMCXVSGRQGF-LJQANCHMSA-N 0 1 384.524 3.024 20 0 GGADMN CS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826227445 1423421439 /nfs/dbraw/zinc/42/14/39/1423421439.db2.gz RAXNWTNTYLSATH-AAEUAGOBSA-N 0 1 394.932 3.065 20 0 GGADMN Cc1ccc(-n2cc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)c(C(C)(C)C)n2)cc1 ZINC000155573685 1423426348 /nfs/dbraw/zinc/42/63/48/1423426348.db2.gz UCYIMNZSWLPWRP-OAHLLOKOSA-N 0 1 393.495 3.011 20 0 GGADMN C[C@@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668085 1423433964 /nfs/dbraw/zinc/43/39/64/1423433964.db2.gz PGTFZVDSJPTCNV-PWSUYJOCSA-N 0 1 375.889 3.052 20 0 GGADMN Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155601155 1423439024 /nfs/dbraw/zinc/43/90/24/1423439024.db2.gz HGCHJEFMTWNQLS-SCLBCKFNSA-N 0 1 377.847 3.311 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000155611991 1423444630 /nfs/dbraw/zinc/44/46/30/1423444630.db2.gz CAVFRAOSOIJNKU-SFHVURJKSA-N 0 1 383.492 3.017 20 0 GGADMN CCCc1cc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)n[nH]1 ZINC000155613827 1423446086 /nfs/dbraw/zinc/44/60/86/1423446086.db2.gz JKKSDSRIYRSTAQ-UHFFFAOYSA-N 0 1 395.290 3.267 20 0 GGADMN COc1ccc(CN(CC(=O)Nc2ccc(Cl)cn2)[C@H](CO)C(C)C)cc1 ZINC000179920526 1429642328 /nfs/dbraw/zinc/64/23/28/1429642328.db2.gz HRXAZWLWOXUGJT-GOSISDBHSA-N 0 1 391.899 3.201 20 0 GGADMN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc2[nH]nnc2c1 ZINC000155615408 1423447124 /nfs/dbraw/zinc/44/71/24/1423447124.db2.gz FGOMQERXYKJLLR-UHFFFAOYSA-N 0 1 399.760 3.224 20 0 GGADMN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155617864 1423449116 /nfs/dbraw/zinc/44/91/16/1423449116.db2.gz ZIOXOTCFENDXOB-LJQANCHMSA-N 0 1 382.439 3.443 20 0 GGADMN CCOCCOc1cc(C)ccc1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155629160 1423455472 /nfs/dbraw/zinc/45/54/72/1423455472.db2.gz QKRKYFWYYABEHW-UHFFFAOYSA-N 0 1 380.448 3.125 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155630407 1423456819 /nfs/dbraw/zinc/45/68/19/1423456819.db2.gz RNJJBFOHUSLPRK-MAUKXSAKSA-N 0 1 392.544 3.440 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000155633317 1423458176 /nfs/dbraw/zinc/45/81/76/1423458176.db2.gz TYQWQARWPMWIEL-QGZVFWFLSA-N 0 1 392.503 3.164 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000826182441 1423461145 /nfs/dbraw/zinc/46/11/45/1423461145.db2.gz JTQOQFCSCFZARA-FQEVSTJZSA-N 0 1 393.491 3.099 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000737521683 1423468779 /nfs/dbraw/zinc/46/87/79/1423468779.db2.gz JQIMTBXSTMWHPB-UHFFFAOYSA-N 0 1 391.454 3.157 20 0 GGADMN COC(=O)c1oc(CN(Cc2ccc(OC)cc2)[C@H](CO)C(C)C)cc1C ZINC000179926717 1429645302 /nfs/dbraw/zinc/64/53/02/1429645302.db2.gz CZUWHBKHJSEBNP-LJQANCHMSA-N 0 1 375.465 3.402 20 0 GGADMN CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000155675232 1423481242 /nfs/dbraw/zinc/48/12/42/1423481242.db2.gz WEBGNSWZHQGLLP-UHFFFAOYSA-N 0 1 381.929 3.065 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccc(OC(C)(C)C)nc1)c1cccs1 ZINC000179928011 1429646086 /nfs/dbraw/zinc/64/60/86/1429646086.db2.gz FAFPHVCPIQQXGG-OAHLLOKOSA-N 0 1 376.526 3.423 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000155680544 1423483965 /nfs/dbraw/zinc/48/39/65/1423483965.db2.gz RYWIOIZRBDNZLN-UHFFFAOYSA-N 0 1 387.346 3.036 20 0 GGADMN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000179928540 1429646345 /nfs/dbraw/zinc/64/63/45/1429646345.db2.gz ONEDUJYCLSCJFE-ROUUACIJSA-N 0 1 381.879 3.046 20 0 GGADMN COCCCOc1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000155689556 1423488193 /nfs/dbraw/zinc/48/81/93/1423488193.db2.gz GFXDEMMHGGYSLI-SFHVURJKSA-N 0 1 397.519 3.452 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000179928492 1429646461 /nfs/dbraw/zinc/64/64/61/1429646461.db2.gz ONEDUJYCLSCJFE-QZTJIDSGSA-N 0 1 381.879 3.046 20 0 GGADMN CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155693600 1423489115 /nfs/dbraw/zinc/48/91/15/1423489115.db2.gz KMRJDTQBQOLRTD-WFASDCNBSA-N 0 1 388.339 3.327 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC1 ZINC000155696241 1423490432 /nfs/dbraw/zinc/49/04/32/1423490432.db2.gz AMUWTXXDEQOMLJ-LBPRGKRZSA-N 0 1 399.495 3.341 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC1 ZINC000155696354 1423491493 /nfs/dbraw/zinc/49/14/93/1423491493.db2.gz AMUWTXXDEQOMLJ-GFCCVEGCSA-N 0 1 399.495 3.341 20 0 GGADMN Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000826293832 1429646789 /nfs/dbraw/zinc/64/67/89/1429646789.db2.gz CEEVTEOGGMVEOH-QFIPXVFZSA-N 0 1 388.519 3.417 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1Cl)N1CCN(C)CC1 ZINC000179929707 1429646919 /nfs/dbraw/zinc/64/69/19/1429646919.db2.gz PLZPYNZFAKQOST-MRXNPFEDSA-N 0 1 391.865 3.361 20 0 GGADMN C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824985607 1423494742 /nfs/dbraw/zinc/49/47/42/1423494742.db2.gz YJIFEDASEUJJNM-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824985607 1423494745 /nfs/dbraw/zinc/49/47/45/1423494745.db2.gz YJIFEDASEUJJNM-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)nc1 ZINC000155708141 1423497719 /nfs/dbraw/zinc/49/77/19/1423497719.db2.gz JPCRCHWUVWVSMF-HNNXBMFYSA-N 0 1 378.432 3.073 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)nc1 ZINC000155708020 1423497894 /nfs/dbraw/zinc/49/78/94/1423497894.db2.gz JPCRCHWUVWVSMF-OAHLLOKOSA-N 0 1 378.432 3.073 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cn1 ZINC000155726083 1423506640 /nfs/dbraw/zinc/50/66/40/1423506640.db2.gz UWZFWFHWUIZPIL-OAHLLOKOSA-N 0 1 378.432 3.073 20 0 GGADMN O=C(CN1CCC[C@@H](c2nnc3ccccn32)C1)N(Cc1ccccc1)C1CC1 ZINC000155744835 1423514039 /nfs/dbraw/zinc/51/40/39/1423514039.db2.gz PGJCLRYJRIBDLV-LJQANCHMSA-N 0 1 389.503 3.100 20 0 GGADMN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000155747916 1423515329 /nfs/dbraw/zinc/51/53/29/1423515329.db2.gz RZCWWPRIHKWAMX-ZDUSSCGKSA-N 0 1 397.341 3.034 20 0 GGADMN O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000155760608 1423521548 /nfs/dbraw/zinc/52/15/48/1423521548.db2.gz ZNEVKKKBLPKOLT-UHFFFAOYSA-N 0 1 385.876 3.327 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)C(=O)NCc4ccc(F)cc4)C3)[nH]c2c1 ZINC000155760289 1423521859 /nfs/dbraw/zinc/52/18/59/1423521859.db2.gz ZCFQVWLYYDWZPF-MRXNPFEDSA-N 0 1 394.450 3.033 20 0 GGADMN CCN(C(=O)CN1CCC(Cn2ccnn2)CC1)c1cccc2ccccc21 ZINC000155772672 1423527736 /nfs/dbraw/zinc/52/77/36/1423527736.db2.gz CMQXTJGHLSPUMJ-UHFFFAOYSA-N 0 1 377.492 3.196 20 0 GGADMN NC(=O)N1CCc2cc(NC(=O)c3cn[nH]c3-c3cccc(Cl)c3)ccc21 ZINC000155781063 1423530818 /nfs/dbraw/zinc/53/08/18/1423530818.db2.gz YQJGNQPYYIUZMQ-UHFFFAOYSA-N 0 1 381.823 3.424 20 0 GGADMN C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000824426485 1429650777 /nfs/dbraw/zinc/65/07/77/1429650777.db2.gz GHPSHZFJVLEVQP-AWEZNQCLSA-N 0 1 393.520 3.297 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3C)n2)cc1 ZINC000155790791 1423535871 /nfs/dbraw/zinc/53/58/71/1423535871.db2.gz GBXRRIRZKJNBCE-ZWKOTPCHSA-N 0 1 377.448 3.144 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3C)n[nH]2)cc1 ZINC000155790791 1423535878 /nfs/dbraw/zinc/53/58/78/1423535878.db2.gz GBXRRIRZKJNBCE-ZWKOTPCHSA-N 0 1 377.448 3.144 20 0 GGADMN C[C@H](CNC(=O)c1cccc(Nc2cnccn2)c1)N1CCc2ccccc2C1 ZINC000155836997 1423554244 /nfs/dbraw/zinc/55/42/44/1423554244.db2.gz WKTXSMDNXMPFJX-QGZVFWFLSA-N 0 1 387.487 3.397 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccnc(OCC(F)F)c1 ZINC000155837833 1423555206 /nfs/dbraw/zinc/55/52/06/1423555206.db2.gz BVVMHHFAAPYJOO-UHFFFAOYSA-N 0 1 393.409 3.259 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC(Cn2ccnn2)CC1 ZINC000155842860 1423557080 /nfs/dbraw/zinc/55/70/80/1423557080.db2.gz YADUOSFBQZXMEP-JKSUJKDBSA-N 0 1 381.480 3.002 20 0 GGADMN CCCn1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1C1CC1 ZINC000155862363 1423566750 /nfs/dbraw/zinc/56/67/50/1423566750.db2.gz HJAOFPDKFHKHPJ-UHFFFAOYSA-N 0 1 381.524 3.483 20 0 GGADMN COC(=O)Nc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc(C(F)(F)F)c1 ZINC000155868733 1423568718 /nfs/dbraw/zinc/56/87/18/1423568718.db2.gz OSFSUNYZVMDUIT-HNNXBMFYSA-N 0 1 387.402 3.296 20 0 GGADMN COC(=O)Nc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc(C(F)(F)F)c1 ZINC000155868845 1423568868 /nfs/dbraw/zinc/56/88/68/1423568868.db2.gz OSFSUNYZVMDUIT-OAHLLOKOSA-N 0 1 387.402 3.296 20 0 GGADMN CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825127032 1423571456 /nfs/dbraw/zinc/57/14/56/1423571456.db2.gz KZOLHCUWEMOEPE-NRFANRHFSA-N 0 1 390.535 3.442 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000155917643 1423593124 /nfs/dbraw/zinc/59/31/24/1423593124.db2.gz FUQXLCCCGMMXPN-UHFFFAOYSA-N 0 1 389.503 3.224 20 0 GGADMN Cn1cc(C[NH2+]CC2(C)Cc3ccccc3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361151 1429656029 /nfs/dbraw/zinc/65/60/29/1429656029.db2.gz NETLVNYFEMQSMP-UHFFFAOYSA-N 0 1 399.502 3.162 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](Cc4cccc(-c5nnn[n-]5)c4)C3)n2)cc1 ZINC000826519117 1423603468 /nfs/dbraw/zinc/60/34/68/1423603468.db2.gz KVVXVVQGHCPSGU-SFHVURJKSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](Cc4cccc(-c5nn[n-]n5)c4)C3)n2)cc1 ZINC000826519117 1423603472 /nfs/dbraw/zinc/60/34/72/1423603472.db2.gz KVVXVVQGHCPSGU-SFHVURJKSA-N 0 1 386.463 3.031 20 0 GGADMN c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](Cc4cccc(-c5nn[n-]n5)c4)C3)n2)cc1 ZINC000826519117 1423603475 /nfs/dbraw/zinc/60/34/75/1423603475.db2.gz KVVXVVQGHCPSGU-SFHVURJKSA-N 0 1 386.463 3.031 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000155944016 1423604024 /nfs/dbraw/zinc/60/40/24/1423604024.db2.gz MIINQWMRQSZAIG-CVEARBPZSA-N 0 1 383.492 3.406 20 0 GGADMN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1[nH]nc2c1CCCC2 ZINC000155944107 1423604134 /nfs/dbraw/zinc/60/41/34/1423604134.db2.gz FOMHXVLFJXSIOT-CQSZACIVSA-N 0 1 399.495 3.155 20 0 GGADMN COCCC1(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCC1 ZINC000155947006 1423605016 /nfs/dbraw/zinc/60/50/16/1423605016.db2.gz MABNPLLVFXHSLE-UHFFFAOYSA-N 0 1 377.504 3.296 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)NCC1(c2ccccc2)CC1 ZINC000155964590 1423612380 /nfs/dbraw/zinc/61/23/80/1423612380.db2.gz MYYBPCCNHSWWSP-JOCHJYFZSA-N 0 1 378.516 3.108 20 0 GGADMN Cc1cc(C(C)(C)C)cc(C)c1CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155968015 1423613292 /nfs/dbraw/zinc/61/32/92/1423613292.db2.gz VLNDDWREDOEQMX-UHFFFAOYSA-N 0 1 392.609 3.296 20 0 GGADMN C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820420327 1429657168 /nfs/dbraw/zinc/65/71/68/1429657168.db2.gz PCDUUNXINMYJTM-AWEZNQCLSA-N 0 1 386.500 3.164 20 0 GGADMN CCOc1ccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821418128 1423619388 /nfs/dbraw/zinc/61/93/88/1423619388.db2.gz WNPRLAAMKZEMSK-UHFFFAOYSA-N 0 1 389.406 3.499 20 0 GGADMN CCOc1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821418128 1423619393 /nfs/dbraw/zinc/61/93/93/1423619393.db2.gz WNPRLAAMKZEMSK-UHFFFAOYSA-N 0 1 389.406 3.499 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(OC)c(COC)c2)cc1 ZINC000179948039 1429657714 /nfs/dbraw/zinc/65/77/14/1429657714.db2.gz WPJFTHZGSKXPPV-OAHLLOKOSA-N 0 1 377.506 3.486 20 0 GGADMN O=C(COC[C@H]1CCOC1)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000155990846 1423624454 /nfs/dbraw/zinc/62/44/54/1423624454.db2.gz YEBOWCPSVFPSRP-HNNXBMFYSA-N 0 1 378.432 3.130 20 0 GGADMN O=C(COC[C@H]1CCOC1)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000155990846 1423624463 /nfs/dbraw/zinc/62/44/63/1423624463.db2.gz YEBOWCPSVFPSRP-HNNXBMFYSA-N 0 1 378.432 3.130 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000179949265 1429658230 /nfs/dbraw/zinc/65/82/30/1429658230.db2.gz GMMQQMXFROCBAH-INIZCTEOSA-N 0 1 386.517 3.458 20 0 GGADMN O=C(CSc1c[nH]nn1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000156016263 1423635867 /nfs/dbraw/zinc/63/58/67/1423635867.db2.gz YTRWEUQEFXNTAZ-MRXNPFEDSA-N 0 1 377.473 3.326 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](c3ccc(F)cc3F)C(C)C)C2)CC1 ZINC000156019813 1423636824 /nfs/dbraw/zinc/63/68/24/1423636824.db2.gz NLIAZUUUBBCNFK-YLJYHZDGSA-N 0 1 394.510 3.083 20 0 GGADMN COc1ccc(-n2nc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cc2C)cc1 ZINC000179949799 1429659188 /nfs/dbraw/zinc/65/91/88/1429659188.db2.gz USBCFXVYRCGJPW-OAQYLSRUSA-N 0 1 396.466 3.361 20 0 GGADMN CC(C)[N@@H+](CCC(=O)OCc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289201 1423645409 /nfs/dbraw/zinc/64/54/09/1423645409.db2.gz XLKFCMFFZXLKEP-UHFFFAOYSA-N 0 1 379.464 3.211 20 0 GGADMN CC(C)[N@H+](CCC(=O)OCc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289201 1423645414 /nfs/dbraw/zinc/64/54/14/1423645414.db2.gz XLKFCMFFZXLKEP-UHFFFAOYSA-N 0 1 379.464 3.211 20 0 GGADMN CC(C)[N@@H+](CCC(=O)OCc1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289201 1423645419 /nfs/dbraw/zinc/64/54/19/1423645419.db2.gz XLKFCMFFZXLKEP-UHFFFAOYSA-N 0 1 379.464 3.211 20 0 GGADMN C[C@@H](C(=O)N1CCCCC1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156044871 1423648183 /nfs/dbraw/zinc/64/81/83/1423648183.db2.gz LXIXLXFQBDUFFS-RDJZCZTQSA-N 0 1 386.471 3.456 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000179951614 1429659700 /nfs/dbraw/zinc/65/97/00/1429659700.db2.gz YTALHEQZTRYIAD-INIZCTEOSA-N 0 1 386.517 3.458 20 0 GGADMN CC[C@@H](C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000825120471 1423653471 /nfs/dbraw/zinc/65/34/71/1423653471.db2.gz KLOPCXCFGPEUMX-HNNXBMFYSA-N 0 1 393.495 3.048 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000179951932 1429660028 /nfs/dbraw/zinc/66/00/28/1429660028.db2.gz SCBSBUBNZWRELX-HNNXBMFYSA-N 0 1 388.489 3.288 20 0 GGADMN Fc1ccccc1[C@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CCO1 ZINC000822796638 1423658419 /nfs/dbraw/zinc/65/84/19/1423658419.db2.gz UAKDJFHDXCXZMB-GOSISDBHSA-N 0 1 376.395 3.132 20 0 GGADMN Cc1nc(NS(=O)(=O)C2=Cc3ccccc3CC2)n(-c2ccc(C#N)cc2)n1 ZINC000156089190 1423666667 /nfs/dbraw/zinc/66/66/67/1423666667.db2.gz RHQXZKCAKDVQII-UHFFFAOYSA-N 0 1 391.456 3.176 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547676 1423675805 /nfs/dbraw/zinc/67/58/05/1423675805.db2.gz RNYSQXWLSHTQJJ-GXTWGEPZSA-N 0 1 390.463 3.056 20 0 GGADMN CC[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cc(F)ccc1F ZINC000156110297 1423676950 /nfs/dbraw/zinc/67/69/50/1423676950.db2.gz AORNMUGLYKZQQP-DNVCBOLYSA-N 0 1 381.467 3.170 20 0 GGADMN C[S@@](=O)c1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000156121449 1423681221 /nfs/dbraw/zinc/68/12/21/1423681221.db2.gz MKXDGINZCXQXHG-SOKVYYICSA-N 0 1 396.434 3.338 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)nn1-c1ccc(C)cc1 ZINC000179957554 1429662297 /nfs/dbraw/zinc/66/22/97/1429662297.db2.gz LYAJTOPWAUVWTC-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN CCC[C@H](NC(=O)N1CC[C@H](N2CCN(CC)CC2)C1)c1ccc(F)cc1F ZINC000156126659 1423684046 /nfs/dbraw/zinc/68/40/46/1423684046.db2.gz YEPUJLQCQFJHKH-PXNSSMCTSA-N 0 1 394.510 3.227 20 0 GGADMN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824892413 1423684255 /nfs/dbraw/zinc/68/42/55/1423684255.db2.gz HXBCPLVDKMIWPV-QAPCUYQASA-N 0 1 379.464 3.103 20 0 GGADMN COc1cc(-c2noc(CN(C)CC3CCOCC3)n2)ccc1OC(F)F ZINC000156141199 1423690804 /nfs/dbraw/zinc/69/08/04/1423690804.db2.gz VSAMETHOUVLUQZ-UHFFFAOYSA-N 0 1 383.395 3.205 20 0 GGADMN C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824625019 1423693280 /nfs/dbraw/zinc/69/32/80/1423693280.db2.gz DLWFVTBXVQKSKE-NSHDSACASA-N 0 1 378.358 3.054 20 0 GGADMN Cn1cc(C[NH2+]Cc2cscc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361681 1429664098 /nfs/dbraw/zinc/66/40/98/1429664098.db2.gz IOPSNHHGGFVKTC-UHFFFAOYSA-N 0 1 385.884 3.272 20 0 GGADMN O=C(c1ccccc1NCc1ccco1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000156182882 1423710254 /nfs/dbraw/zinc/71/02/54/1423710254.db2.gz VXTOLKDQCKQQSA-GOSISDBHSA-N 0 1 383.492 3.076 20 0 GGADMN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)n2)cc1 ZINC000179964045 1429664988 /nfs/dbraw/zinc/66/49/88/1429664988.db2.gz ONPQNELOVJVNKM-UHFFFAOYSA-N 0 1 389.521 3.012 20 0 GGADMN CCCC[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736439373 1423715498 /nfs/dbraw/zinc/71/54/98/1423715498.db2.gz PLOJTKOBSNQKCK-KRWDZBQOSA-N 0 1 384.528 3.117 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)N(C)C)c1 ZINC000156190885 1423716443 /nfs/dbraw/zinc/71/64/43/1423716443.db2.gz QKVKCOWNSXMWPT-LJQANCHMSA-N 0 1 382.464 3.004 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC000821607264 1423721612 /nfs/dbraw/zinc/72/16/12/1423721612.db2.gz GXDAHKFZQIXSLG-LJQANCHMSA-N 0 1 395.417 3.100 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC000821607264 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1423793241 /nfs/dbraw/zinc/79/32/41/1423793241.db2.gz FHZAMNIIIFNFDS-UHFFFAOYSA-N 0 1 383.459 3.488 20 0 GGADMN COC[C@@H](N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(C)o1 ZINC000156362194 1423798483 /nfs/dbraw/zinc/79/84/83/1423798483.db2.gz RGUJANKWOASOMR-SUMWQHHRSA-N 0 1 376.453 3.300 20 0 GGADMN COc1ccc(C([NH2+]Cc2ccc(-c3nnn[n-]3)o2)c2ccc(OC)cc2)cc1 ZINC000821777296 1423799595 /nfs/dbraw/zinc/79/95/95/1423799595.db2.gz DAOMGZVAVSUPSA-UHFFFAOYSA-N 0 1 391.431 3.356 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000824546488 1423802887 /nfs/dbraw/zinc/80/28/87/1423802887.db2.gz JLGNZDQUZFTSHY-RNODOKPDSA-N 0 1 388.475 3.480 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000156403178 1423806226 /nfs/dbraw/zinc/80/62/26/1423806226.db2.gz RFWTVVIUJLOMCZ-LBPRGKRZSA-N 0 1 391.821 3.098 20 0 GGADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCN(c2cccs2)CC1 ZINC000156417487 1423808032 /nfs/dbraw/zinc/80/80/32/1423808032.db2.gz WUGQICRIYTZPOP-UHFFFAOYSA-N 0 1 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ZINC000156479828 1423815926 /nfs/dbraw/zinc/81/59/26/1423815926.db2.gz FDFKQZPARVKLOK-UHFFFAOYSA-N 0 1 380.444 3.223 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000156479828 1423815929 /nfs/dbraw/zinc/81/59/29/1423815929.db2.gz FDFKQZPARVKLOK-UHFFFAOYSA-N 0 1 380.444 3.223 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCc1ccccc1F ZINC000156502754 1423819915 /nfs/dbraw/zinc/81/99/15/1423819915.db2.gz RDDNZQCLRWPWML-INIZCTEOSA-N 0 1 385.483 3.054 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000156506471 1423820406 /nfs/dbraw/zinc/82/04/06/1423820406.db2.gz CTHYXIDSZNDUGW-GOSISDBHSA-N 0 1 381.476 3.218 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000156514264 1423821619 /nfs/dbraw/zinc/82/16/19/1423821619.db2.gz JRMOEIMWRYUVQY-SFHVURJKSA-N 0 1 393.531 3.184 20 0 GGADMN CN(C)[C@H](CNC(=O)CCCOc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000156518585 1423822428 /nfs/dbraw/zinc/82/24/28/1423822428.db2.gz AXYAKLYISKEJKD-GOSISDBHSA-N 0 1 388.439 3.133 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000156519068 1423822580 /nfs/dbraw/zinc/82/25/80/1423822580.db2.gz QQBYGPLQZVSZJU-UHFFFAOYSA-N 0 1 381.867 3.083 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000156521451 1423822616 /nfs/dbraw/zinc/82/26/16/1423822616.db2.gz FGLACYXFQWRBGH-LJQANCHMSA-N 0 1 377.573 3.281 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000156545172 1423825937 /nfs/dbraw/zinc/82/59/37/1423825937.db2.gz ZRHDSFRXUBOVNT-SFHVURJKSA-N 0 1 381.520 3.224 20 0 GGADMN COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000156554297 1423827497 /nfs/dbraw/zinc/82/74/97/1423827497.db2.gz WBFBQRBJPQDVKW-AWEZNQCLSA-N 0 1 391.342 3.194 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000156561514 1423828737 /nfs/dbraw/zinc/82/87/37/1423828737.db2.gz MHRWQXGVQZYTRO-UHFFFAOYSA-N 0 1 380.489 3.085 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)[nH]n2)c1 ZINC000156583814 1423832348 /nfs/dbraw/zinc/83/23/48/1423832348.db2.gz YWTHMKRRRAKSOT-UHFFFAOYSA-N 0 1 378.432 3.476 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000156583778 1423832409 /nfs/dbraw/zinc/83/24/09/1423832409.db2.gz DSFHKQOWFYAQPM-GOSISDBHSA-N 0 1 381.476 3.218 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617069 1423832592 /nfs/dbraw/zinc/83/25/92/1423832592.db2.gz CLHFJQMWAYBSSO-JTQLQIEISA-N 0 1 396.348 3.193 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CSCC(=O)c1ccccc1 ZINC000156618482 1423836753 /nfs/dbraw/zinc/83/67/53/1423836753.db2.gz AYVFEFPBMLXNCL-XLIONFOSSA-N 0 1 382.529 3.239 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3nnc(C(C)(C)C)s3)c2c1 ZINC000822196416 1423839305 /nfs/dbraw/zinc/83/93/05/1423839305.db2.gz IPJGTYVNAHHEHL-UHFFFAOYSA-N 0 1 394.508 3.215 20 0 GGADMN O=C(Nc1cccc(CNCc2cnc3cnccn23)c1)c1ccc(F)cc1 ZINC000156640881 1423839554 /nfs/dbraw/zinc/83/95/54/1423839554.db2.gz ZHZZJFDEQFAQRF-UHFFFAOYSA-N 0 1 375.407 3.411 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000156649013 1423840502 /nfs/dbraw/zinc/84/05/02/1423840502.db2.gz JJQXCAJGFXDOJX-OAQYLSRUSA-N 0 1 379.504 3.329 20 0 GGADMN O=C(NNC(=O)N1CCc2cccc(F)c2C1)c1ccc(Br)s1 ZINC000156660927 1423843073 /nfs/dbraw/zinc/84/30/73/1423843073.db2.gz NGFSQXXEYMOOBQ-UHFFFAOYSA-N 0 1 398.257 3.062 20 0 GGADMN CCCOc1ccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000156671015 1423845308 /nfs/dbraw/zinc/84/53/08/1423845308.db2.gz HJWTZGSCQWZOMX-MRXNPFEDSA-N 0 1 389.521 3.261 20 0 GGADMN COc1ccc(-n2c(CN(C)C[C@@H]3CCN(C(C)=O)C3)nc3ccccc32)cc1 ZINC000156709195 1423852346 /nfs/dbraw/zinc/85/23/46/1423852346.db2.gz NIVMCJBACOLVNL-SFHVURJKSA-N 0 1 392.503 3.334 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000156720778 1423853710 /nfs/dbraw/zinc/85/37/10/1423853710.db2.gz AFOCZPMNUYWHIN-GFCCVEGCSA-N 0 1 391.821 3.098 20 0 GGADMN CC[N@@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454269 1423854253 /nfs/dbraw/zinc/85/42/53/1423854253.db2.gz ZZOSLWOJFOSXKM-DOTOQJQBSA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@H+]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825454269 1423854256 /nfs/dbraw/zinc/85/42/56/1423854256.db2.gz ZZOSLWOJFOSXKM-DOTOQJQBSA-N 0 1 387.850 3.302 20 0 GGADMN Cc1nc([C@@H](NS(=O)(=O)c2cccc(F)c2F)c2ccc(Cl)cc2)no1 ZINC000179988046 1429677741 /nfs/dbraw/zinc/67/77/41/1429677741.db2.gz OGVNCPIPGDBNND-HNNXBMFYSA-N 0 1 399.806 3.378 20 0 GGADMN CCN(C[C@H]1CCN(CN2C[C@H](c3ccccc3)CC2=O)C1)CC(F)(F)F ZINC000156750525 1423858817 /nfs/dbraw/zinc/85/88/17/1423858817.db2.gz QBHVVFDPBCHWBN-SJLPKXTDSA-N 0 1 383.458 3.166 20 0 GGADMN C[C@@H](O)C1CC[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000824690468 1423859005 /nfs/dbraw/zinc/85/90/05/1423859005.db2.gz SIPDMVSQNOQLOF-MRXNPFEDSA-N 0 1 393.491 3.039 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1c(C)cccc1F)N1CCCC1 ZINC000156773506 1423862225 /nfs/dbraw/zinc/86/22/25/1423862225.db2.gz GSTHHNJZZXCDEA-SFHVURJKSA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1c(C)cccc1F)N1CCCC1 ZINC000156773637 1423862981 /nfs/dbraw/zinc/86/29/81/1423862981.db2.gz GSTHHNJZZXCDEA-GOSISDBHSA-N 0 1 399.466 3.035 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000156780843 1423863393 /nfs/dbraw/zinc/86/33/93/1423863393.db2.gz PCUUIOXSMPEDLK-HNNXBMFYSA-N 0 1 375.469 3.087 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2F)N2CCCC2)c1 ZINC000156787765 1423865062 /nfs/dbraw/zinc/86/50/62/1423865062.db2.gz RMGNKANCOUBNJR-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000156811926 1423868934 /nfs/dbraw/zinc/86/89/34/1423868934.db2.gz CWZNIWJCUAIMIP-GOSISDBHSA-N 0 1 381.476 3.218 20 0 GGADMN O=C(NNc1ccc(Br)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156820083 1423869800 /nfs/dbraw/zinc/86/98/00/1423869800.db2.gz FBVIWARVCNJJTC-UHFFFAOYSA-N 0 1 394.160 3.130 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)c2)n1 ZINC000156970985 1423895198 /nfs/dbraw/zinc/89/51/98/1423895198.db2.gz NHZISEAWAFJXHY-LJQANCHMSA-N 0 1 392.459 3.008 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000156971924 1423895780 /nfs/dbraw/zinc/89/57/80/1423895780.db2.gz QBJWWQCRSZXVFO-RDJZCZTQSA-N 0 1 398.507 3.242 20 0 GGADMN C[C@@H](C1CC1)n1nccc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000156976047 1423896103 /nfs/dbraw/zinc/89/61/03/1423896103.db2.gz WZKKBGRSHFGPJW-INIZCTEOSA-N 0 1 375.517 3.011 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3c(C)cc(N(C)C)cc3C)n2)cc1 ZINC000156976210 1423896237 /nfs/dbraw/zinc/89/62/37/1423896237.db2.gz WXMNFRKZLIDCOT-UHFFFAOYSA-N 0 1 394.479 3.485 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3c(C)cc(N(C)C)cc3C)n[nH]2)cc1 ZINC000156976210 1423896238 /nfs/dbraw/zinc/89/62/38/1423896238.db2.gz WXMNFRKZLIDCOT-UHFFFAOYSA-N 0 1 394.479 3.485 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000156978018 1423896268 /nfs/dbraw/zinc/89/62/68/1423896268.db2.gz ILTOSCZDLPVLRY-HRAATJIYSA-N 0 1 394.519 3.276 20 0 GGADMN COc1ccc(=NNC(=O)N[C@@H](C)Cc2cccc(Br)c2)[nH]c1 ZINC000156981185 1423896914 /nfs/dbraw/zinc/89/69/14/1423896914.db2.gz LIVQLFMPRALKLN-NSHDSACASA-N 0 1 379.258 3.110 20 0 GGADMN C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824938103 1423901191 /nfs/dbraw/zinc/90/11/91/1423901191.db2.gz SVJJLSVTBSCAKM-JXFKEZNVSA-N 0 1 380.540 3.489 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000157022342 1423904743 /nfs/dbraw/zinc/90/47/43/1423904743.db2.gz LLAMGZMHCXNESS-UHFFFAOYSA-N 0 1 394.519 3.137 20 0 GGADMN COc1cc(Cl)c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1OC ZINC000157032405 1423907223 /nfs/dbraw/zinc/90/72/23/1423907223.db2.gz MNAOHGYUZVMWHM-UHFFFAOYSA-N 0 1 377.803 3.345 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000179997935 1429682008 /nfs/dbraw/zinc/68/20/08/1429682008.db2.gz LALBEWNZDHOSDJ-UHFFFAOYSA-N 0 1 380.414 3.066 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000157052238 1423912084 /nfs/dbraw/zinc/91/20/84/1423912084.db2.gz ZHQUUWKTJYZUHP-MRXNPFEDSA-N 0 1 380.414 3.303 20 0 GGADMN CCCC(O)(CCC)CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000157052685 1423912124 /nfs/dbraw/zinc/91/21/24/1423912124.db2.gz LREVTBPHBSKVLJ-UHFFFAOYSA-N 0 1 379.520 3.421 20 0 GGADMN O=C(CCN(CCO)Cc1cccnc1)N[C@H](c1cccs1)c1ccccc1 ZINC000157063518 1423914868 /nfs/dbraw/zinc/91/48/68/1423914868.db2.gz WMVAALLTAGMQNH-QFIPXVFZSA-N 0 1 395.528 3.233 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000737031349 1423920312 /nfs/dbraw/zinc/92/03/12/1423920312.db2.gz GRQPBYWUOOVVHQ-QFIPXVFZSA-N 0 1 393.491 3.308 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000737031349 1423920316 /nfs/dbraw/zinc/92/03/16/1423920316.db2.gz GRQPBYWUOOVVHQ-QFIPXVFZSA-N 0 1 393.491 3.308 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000737031349 1423920318 /nfs/dbraw/zinc/92/03/18/1423920318.db2.gz GRQPBYWUOOVVHQ-QFIPXVFZSA-N 0 1 393.491 3.308 20 0 GGADMN CNC(=O)Cn1ccc2ccc(NS(=O)(=O)c3cccc(C)c3Cl)cc21 ZINC000179998935 1429682745 /nfs/dbraw/zinc/68/27/45/1429682745.db2.gz ZYVNWXFEPAIHCD-UHFFFAOYSA-N 0 1 391.880 3.150 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NCc2cnc3cnccn23)c1 ZINC000157083271 1423920588 /nfs/dbraw/zinc/92/05/88/1423920588.db2.gz SIYKTBGACZIXQA-UHFFFAOYSA-N 0 1 378.480 3.156 20 0 GGADMN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000157085349 1423921810 /nfs/dbraw/zinc/92/18/10/1423921810.db2.gz OQXTWHIYIMCNFN-GUDVDZBRSA-N 0 1 388.556 3.475 20 0 GGADMN c1ccc2c(c1)nc(N1CC[NH+](CC3CCCCC3)CC1)cc2-c1nn[n-]n1 ZINC000738433319 1429683158 /nfs/dbraw/zinc/68/31/58/1429683158.db2.gz PZJAVDVRTUEYCO-UHFFFAOYSA-N 0 1 377.496 3.117 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000738268881 1423928294 /nfs/dbraw/zinc/92/82/94/1423928294.db2.gz UZWMBPNPNSFARX-INIZCTEOSA-N 0 1 383.402 3.240 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000738268881 1423928298 /nfs/dbraw/zinc/92/82/98/1423928298.db2.gz UZWMBPNPNSFARX-INIZCTEOSA-N 0 1 383.402 3.240 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000157121062 1423931225 /nfs/dbraw/zinc/93/12/25/1423931225.db2.gz OVNARLSZHURGJX-NRFANRHFSA-N 0 1 382.508 3.142 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000180002561 1429684446 /nfs/dbraw/zinc/68/44/46/1429684446.db2.gz SJGTZJWOHQYNKX-AUUYWEPGSA-N 0 1 379.460 3.036 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000157166097 1423942783 /nfs/dbraw/zinc/94/27/83/1423942783.db2.gz HYOJQWILAUMLNC-UHFFFAOYSA-N 0 1 381.867 3.083 20 0 GGADMN C[C@@H](C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1[C@H](C)CC[C@H]1C ZINC000157181279 1423947588 /nfs/dbraw/zinc/94/75/88/1423947588.db2.gz ISYNBOZURQNAEZ-UPJWGTAASA-N 0 1 381.402 3.486 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)n2)cc1 ZINC000157198585 1423953284 /nfs/dbraw/zinc/95/32/84/1423953284.db2.gz MDKIGRXILJTJCV-RDJZCZTQSA-N 0 1 396.520 3.178 20 0 GGADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)n2)cc1 ZINC000157201014 1423953506 /nfs/dbraw/zinc/95/35/06/1423953506.db2.gz VHKZCHUMKADYFQ-HKUYNNGSSA-N 0 1 382.508 3.258 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000157216633 1423957776 /nfs/dbraw/zinc/95/77/76/1423957776.db2.gz TTYOJJNTIRIGPV-QWFCFKBJSA-N 0 1 390.524 3.041 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(N4CCCC[C@@H]4C)cc3C)CCO2)n[nH]1 ZINC000157231061 1423961711 /nfs/dbraw/zinc/96/17/11/1423961711.db2.gz YEXVTATXJZSVDT-HNAYVOBHSA-N 0 1 398.511 3.406 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(OC(C)(C)C)cc1 ZINC000157250630 1423967165 /nfs/dbraw/zinc/96/71/65/1423967165.db2.gz OEIJBZNWCZCPBE-APWZRJJASA-N 0 1 398.569 3.003 20 0 GGADMN C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(OC(C)(C)C)cc1 ZINC000157250792 1423967192 /nfs/dbraw/zinc/96/71/92/1423967192.db2.gz OEIJBZNWCZCPBE-QFBILLFUSA-N 0 1 398.569 3.003 20 0 GGADMN O=C([C@@H]1NCCc2ccccc21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000157254309 1423967831 /nfs/dbraw/zinc/96/78/31/1423967831.db2.gz NNNZHFXDQYJQNU-NHCUHLMSSA-N 0 1 384.907 3.499 20 0 GGADMN COc1ccc(NC(=O)C2(C)CC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000157286358 1423975267 /nfs/dbraw/zinc/97/52/67/1423975267.db2.gz AQXUMVCQSBWOOC-UHFFFAOYSA-N 0 1 378.425 3.374 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3CSCCS3)cc2)C[C@@H](C)O1 ZINC000157297543 1423977688 /nfs/dbraw/zinc/97/76/88/1423977688.db2.gz GBALHHCDKFHEKZ-GPMSIDNRSA-N 0 1 394.606 3.151 20 0 GGADMN COc1ccc([C@@H](O)CNCc2c(Br)cc(OC)cc2OC)cc1 ZINC000157296803 1423977763 /nfs/dbraw/zinc/97/77/63/1423977763.db2.gz NDNSCTPSLDAWKC-KRWDZBQOSA-N 0 1 396.281 3.298 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(N(C)C)cc3F)cc2)C[C@@H](C)O1 ZINC000157298007 1423978569 /nfs/dbraw/zinc/97/85/69/1423978569.db2.gz ABCAJKDSDGJODC-IAGOWNOFSA-N 0 1 399.510 3.431 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(F)cc3F)ccc2NC1=O ZINC000180008554 1429688152 /nfs/dbraw/zinc/68/81/52/1429688152.db2.gz FSABXPBPEQPEHJ-DIFFPNOSSA-N 0 1 389.402 3.364 20 0 GGADMN Cc1c(NC(=O)NCCN2CCc3ccccc3C2)cnn1-c1ccccc1F ZINC000157337458 1423988156 /nfs/dbraw/zinc/98/81/56/1423988156.db2.gz YZHFOXUPJYFAJG-UHFFFAOYSA-N 0 1 393.466 3.500 20 0 GGADMN COC(=O)c1cc(CN(C)CCOc2ccc3c(C)cc(=O)oc3c2)oc1C ZINC000157377238 1423998248 /nfs/dbraw/zinc/99/82/48/1423998248.db2.gz SUJCTJUEXDQXCD-UHFFFAOYSA-N 0 1 385.416 3.300 20 0 GGADMN O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000157395799 1424001852 /nfs/dbraw/zinc/00/18/52/1424001852.db2.gz AWCNCCBYHPEGEA-UHFFFAOYSA-N 0 1 384.863 3.479 20 0 GGADMN Cc1c(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822097176 1424008295 /nfs/dbraw/zinc/00/82/95/1424008295.db2.gz VLWQKGSFHAUCDY-KBPBESRZSA-N 0 1 385.516 3.053 20 0 GGADMN C=C(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000157421364 1424008475 /nfs/dbraw/zinc/00/84/75/1424008475.db2.gz UWMWLZIMJUWVAH-UHFFFAOYSA-N 0 1 394.880 3.455 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3ncccc3C(F)(F)F)c2)CC1 ZINC000180011839 1429690523 /nfs/dbraw/zinc/69/05/23/1429690523.db2.gz RDKYPFMNNTXYGS-UHFFFAOYSA-N 0 1 378.398 3.100 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000157442106 1424011898 /nfs/dbraw/zinc/01/18/98/1424011898.db2.gz VAPPBSNUUDBKKN-GOSISDBHSA-N 0 1 375.476 3.004 20 0 GGADMN Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826296939 1429690588 /nfs/dbraw/zinc/69/05/88/1429690588.db2.gz PEGWEKCBTODFOV-HXUWFJFHSA-N 0 1 393.491 3.326 20 0 GGADMN Cc1cccc(C)c1OCCC[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826296939 1429690591 /nfs/dbraw/zinc/69/05/91/1429690591.db2.gz PEGWEKCBTODFOV-HXUWFJFHSA-N 0 1 393.491 3.326 20 0 GGADMN O=C(c1ccc(O)cc1)C1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000157443739 1424012873 /nfs/dbraw/zinc/01/28/73/1424012873.db2.gz AQQCDKLVIJWQBV-GOSISDBHSA-N 0 1 389.879 3.380 20 0 GGADMN CC[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCOCC1 ZINC000157480865 1424020407 /nfs/dbraw/zinc/02/04/07/1424020407.db2.gz VYVNYJCEWHORRC-CQSZACIVSA-N 0 1 398.347 3.451 20 0 GGADMN CC[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCOCC1 ZINC000157480717 1424020492 /nfs/dbraw/zinc/02/04/92/1424020492.db2.gz VYVNYJCEWHORRC-AWEZNQCLSA-N 0 1 398.347 3.451 20 0 GGADMN CC[C@H](O)[C@H]1CCCCN1Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000157502330 1424024323 /nfs/dbraw/zinc/02/43/23/1424024323.db2.gz BBZJUJDFZYPPFB-KGLIPLIRSA-N 0 1 397.422 3.472 20 0 GGADMN Cc1c([C@@H](C)NCCCOCC2CCOCC2)nnn1-c1ccc(F)cc1 ZINC000157511356 1424026819 /nfs/dbraw/zinc/02/68/19/1424026819.db2.gz JYDPXTXFQCXJRO-OAHLLOKOSA-N 0 1 376.476 3.199 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000157520006 1424028723 /nfs/dbraw/zinc/02/87/23/1424028723.db2.gz LWSWVKOPMCEXIX-KRWDZBQOSA-N 0 1 384.549 3.341 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820761578 1424029527 /nfs/dbraw/zinc/02/95/27/1424029527.db2.gz XYANYPQLTJZTOL-XJKSGUPXSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761578 1424029532 /nfs/dbraw/zinc/02/95/32/1424029532.db2.gz XYANYPQLTJZTOL-XJKSGUPXSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761578 1424029537 /nfs/dbraw/zinc/02/95/37/1424029537.db2.gz XYANYPQLTJZTOL-XJKSGUPXSA-N 0 1 383.887 3.238 20 0 GGADMN O=C(c1ccccc1F)N1CCCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000157531562 1424031390 /nfs/dbraw/zinc/03/13/90/1424031390.db2.gz PSCHODKFCGKNTB-UHFFFAOYSA-N 0 1 394.450 3.266 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3NC3CC3)cc2[nH]c1=S ZINC000157546003 1424034486 /nfs/dbraw/zinc/03/44/86/1424034486.db2.gz LDDXDFXEDIMBBN-UHFFFAOYSA-N 0 1 384.436 3.188 20 0 GGADMN CC(C)NC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000157563164 1424038199 /nfs/dbraw/zinc/03/81/99/1424038199.db2.gz SWNPDJLVJGFMTP-GOSISDBHSA-N 0 1 385.533 3.453 20 0 GGADMN Cc1cccc2nc(CNC(=O)c3ccc(CN4CCSCC4)cc3)n(C)c21 ZINC000157580798 1424041829 /nfs/dbraw/zinc/04/18/29/1424041829.db2.gz NFJQNUPFOGCTRH-UHFFFAOYSA-N 0 1 394.544 3.361 20 0 GGADMN CCOC(=O)N[C@@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000157586519 1424043562 /nfs/dbraw/zinc/04/35/62/1424043562.db2.gz HVZHTFZDSJGWOR-OAHLLOKOSA-N 0 1 378.860 3.143 20 0 GGADMN O=S(=O)(Nc1ccc(-c2nnc3n2CCC3)cc1)c1cc(F)c(F)c(F)c1 ZINC000157603560 1424046785 /nfs/dbraw/zinc/04/67/85/1424046785.db2.gz PGHADBMZBAFYNH-UHFFFAOYSA-N 0 1 394.378 3.109 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(=O)oc4cc([O-])ccc34)ccc2NC1=O ZINC000180017229 1429694529 /nfs/dbraw/zinc/69/45/29/1429694529.db2.gz CZSCVCJQCLZWGU-KZULUSFZSA-N 0 1 394.427 3.459 20 0 GGADMN CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157645671 1424056329 /nfs/dbraw/zinc/05/63/29/1424056329.db2.gz BKBDCRMKOQFMMN-UHFFFAOYSA-N 0 1 387.383 3.435 20 0 GGADMN CCCn1ncc(C(=O)NCC2(CN3CCOCC3)CCCCC2)c1C1CC1 ZINC000157644873 1424056335 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Cc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2F)N2CCCC2)cc1 ZINC000157675727 1424062235 /nfs/dbraw/zinc/06/22/35/1424062235.db2.gz DEXKKXTXDIVPCC-IBGZPJMESA-N 0 1 383.467 3.334 20 0 GGADMN CCOc1cc(CN2CC[C@H](O)C2)ccc1OCCOc1ccc(F)cc1 ZINC000157674194 1424062403 /nfs/dbraw/zinc/06/24/03/1424062403.db2.gz KXHYHHYMWPKWBD-SFHVURJKSA-N 0 1 375.440 3.249 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2F)N2CCCC2)cc1 ZINC000157675570 1424062766 /nfs/dbraw/zinc/06/27/66/1424062766.db2.gz DEXKKXTXDIVPCC-LJQANCHMSA-N 0 1 383.467 3.334 20 0 GGADMN CN(C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000157689154 1424064838 /nfs/dbraw/zinc/06/48/38/1424064838.db2.gz ZJSBKLOVNCUYNC-KRWDZBQOSA-N 0 1 381.561 3.356 20 0 GGADMN Clc1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1-c1nnn[n-]1 ZINC000737573455 1429695431 /nfs/dbraw/zinc/69/54/31/1429695431.db2.gz IEYFWVBRBYCAEE-GFCCVEGCSA-N 0 1 389.916 3.301 20 0 GGADMN Clc1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1-c1nn[n-]n1 ZINC000737573455 1429695439 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GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)N3CCc4ccccc4C3)ccc2NC1=O ZINC000180018050 1429695900 /nfs/dbraw/zinc/69/59/00/1429695900.db2.gz DILVXHGURRPMFW-MGPUTAFESA-N 0 1 393.487 3.032 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)c2)n1 ZINC000157716249 1424072772 /nfs/dbraw/zinc/07/27/72/1424072772.db2.gz YUOZYHKCTKKQMO-QGZVFWFLSA-N 0 1 384.480 3.226 20 0 GGADMN Cc1ccnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826309733 1424073142 /nfs/dbraw/zinc/07/31/42/1424073142.db2.gz ZUCDPEXUQHUUSX-WMZOPIPTSA-N 0 1 377.496 3.059 20 0 GGADMN Cc1ccnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826309733 1424073144 /nfs/dbraw/zinc/07/31/44/1424073144.db2.gz ZUCDPEXUQHUUSX-WMZOPIPTSA-N 0 1 377.496 3.059 20 0 GGADMN Cc1ccnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826309733 1424073150 /nfs/dbraw/zinc/07/31/50/1424073150.db2.gz ZUCDPEXUQHUUSX-WMZOPIPTSA-N 0 1 377.496 3.059 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cnn(Cc2ccccc2)c1 ZINC000157766114 1424083210 /nfs/dbraw/zinc/08/32/10/1424083210.db2.gz ZDYPVCJIKOYYHO-OALUTQOASA-N 0 1 391.519 3.402 20 0 GGADMN Cc1cccc(NC2CCN(C(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)CC2)c1 ZINC000157771622 1424084939 /nfs/dbraw/zinc/08/49/39/1424084939.db2.gz ZVGNLPBMUQZUFW-UHFFFAOYSA-N 0 1 394.500 3.237 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3csc(-c4ccccn4)n3)[nH]c21 ZINC000157781642 1424087010 /nfs/dbraw/zinc/08/70/10/1424087010.db2.gz KWDITUIAOSWRIJ-UHFFFAOYSA-N 0 1 379.401 3.120 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cc(C)nn2Cc2ccccc2)CCN1CCOC ZINC000157785909 1424088334 /nfs/dbraw/zinc/08/83/34/1424088334.db2.gz PLKIVBGDIXOOLI-HXUWFJFHSA-N 0 1 399.539 3.204 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(C4CC4)nc4onc(C)c43)[nH]c21 ZINC000157794515 1424090009 /nfs/dbraw/zinc/09/00/09/1424090009.db2.gz YNETUYRKIZCXGE-UHFFFAOYSA-N 0 1 391.387 3.324 20 0 GGADMN CCCS(=O)(=O)NC1CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000180021345 1429697559 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386.540 3.451 20 0 GGADMN CCOCCO[C@H]1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000157863413 1424106513 /nfs/dbraw/zinc/10/65/13/1424106513.db2.gz XRMZKBMJYVKSBA-UGKGYDQZSA-N 0 1 396.531 3.408 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N[C@@H](C)c3ccccc3)ccc2NC1=O ZINC000180023382 1429699113 /nfs/dbraw/zinc/69/91/13/1429699113.db2.gz MULFETJQHFJJRM-VCBZYWHSSA-N 0 1 381.476 3.324 20 0 GGADMN COc1ccccc1[C@@H]1CCN(CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000157914679 1424119298 /nfs/dbraw/zinc/11/92/98/1424119298.db2.gz UFMSUWPGODQISO-QGZVFWFLSA-N 0 1 398.503 3.160 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2c(C)onc2-c2ccccn2)N(C)C)c1 ZINC000157920341 1424120007 /nfs/dbraw/zinc/12/00/07/1424120007.db2.gz WXFOBYPQNGZCCC-GOSISDBHSA-N 0 1 380.448 3.086 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2c(C)onc2-c2ccncc2)N(C)C)c1 ZINC000157922246 1424120652 /nfs/dbraw/zinc/12/06/52/1424120652.db2.gz JLVZFNAJMGZVHB-SFHVURJKSA-N 0 1 380.448 3.086 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)nc2C)N(C)C)c1 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395.503 3.114 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)NCCc3ccccc3C)ccc2NC1=O ZINC000180025847 1429701055 /nfs/dbraw/zinc/70/10/55/1429701055.db2.gz BKOWVCAGYWCNLZ-JXFKEZNVSA-N 0 1 395.503 3.114 20 0 GGADMN O=C(NCCCCN1CCOCC1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000157996927 1424136305 /nfs/dbraw/zinc/13/63/05/1424136305.db2.gz DNBTZHLWTAGMCF-FQEVSTJZSA-N 0 1 377.504 3.469 20 0 GGADMN COc1ccccc1[C@H]1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000157994508 1424136760 /nfs/dbraw/zinc/13/67/60/1424136760.db2.gz DMRBWINVPUGWIL-INIZCTEOSA-N 0 1 390.430 3.402 20 0 GGADMN O=C(CCN1CCc2cccc(F)c2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000158008486 1424138583 /nfs/dbraw/zinc/13/85/83/1424138583.db2.gz DNHRJLLYVMQFOQ-UHFFFAOYSA-N 0 1 383.467 3.049 20 0 GGADMN COc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000158022888 1424141895 /nfs/dbraw/zinc/14/18/95/1424141895.db2.gz YZESKDOHJZFENT-GOSISDBHSA-N 0 1 388.895 3.378 20 0 GGADMN COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000158022888 1424141899 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CC(C)(C)n1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158072478 1424157503 /nfs/dbraw/zinc/15/75/03/1424157503.db2.gz GHLUDBHJKSODHB-KRWDZBQOSA-N 0 1 390.915 3.392 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@H]2CCOC2)nnn1-c1cccc(Cl)c1 ZINC000158077622 1424158600 /nfs/dbraw/zinc/15/86/00/1424158600.db2.gz APYUKWCVKWBKBQ-GOEBONIOSA-N 0 1 378.904 3.323 20 0 GGADMN O[C@@H](c1ccccc1)C1(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826505060 1429708094 /nfs/dbraw/zinc/70/80/94/1429708094.db2.gz LBTWXNRMTXLYMU-SFHVURJKSA-N 0 1 376.464 3.066 20 0 GGADMN CCOC(=O)C1CCN(Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000158087439 1424163404 /nfs/dbraw/zinc/16/34/04/1424163404.db2.gz YOVGHYUQYHWGFX-UHFFFAOYSA-N 0 1 375.387 3.411 20 0 GGADMN COc1ccc([C@H](NCCCS(=O)(=O)N(C)C)c2ccccc2Cl)cc1 ZINC000158088053 1424163557 /nfs/dbraw/zinc/16/35/57/1424163557.db2.gz ZXBOHMWQMIGLAS-IBGZPJMESA-N 0 1 396.940 3.309 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000180039836 1429708327 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COc1cc(NC(C)=O)ccc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000158142593 1424178046 /nfs/dbraw/zinc/17/80/46/1424178046.db2.gz JLNNPIRQNDWOFM-HNNXBMFYSA-N 0 1 376.482 3.140 20 0 GGADMN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000158157088 1424181471 /nfs/dbraw/zinc/18/14/71/1424181471.db2.gz KZQUUTFYDZEQCM-UHFFFAOYSA-N 0 1 383.839 3.214 20 0 GGADMN Clc1cccc(N2CCCC2)c1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000180031761 1429704006 /nfs/dbraw/zinc/70/40/06/1429704006.db2.gz RMFUBHJSJJZZAL-GOSISDBHSA-N 0 1 377.960 3.484 20 0 GGADMN COc1ccc([C@@H](OC(=O)CCc2nc[nH]n2)c2ccc(OC)cc2C)cc1 ZINC000158160754 1424182984 /nfs/dbraw/zinc/18/29/84/1424182984.db2.gz WUBAASMBQCRSHJ-OAQYLSRUSA-N 0 1 381.432 3.396 20 0 GGADMN O=c1c2ccccc2ncn1CCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158164077 1424183800 /nfs/dbraw/zinc/18/38/00/1424183800.db2.gz UYRSKTRCHJICLF-UHFFFAOYSA-N 0 1 392.286 3.198 20 0 GGADMN CC[N@@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC(C)(C)O ZINC000158163036 1424183921 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0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@]4(CCc5ccccc54)C3)n[nH]2)cc1 ZINC000158221925 1424199328 /nfs/dbraw/zinc/19/93/28/1424199328.db2.gz AZTGWYOISJQRCZ-HSZRJFAPSA-N 0 1 389.455 3.399 20 0 GGADMN Clc1ccc(C2(C[NH2+]Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCC2)cc1 ZINC000737571220 1424200052 /nfs/dbraw/zinc/20/00/52/1424200052.db2.gz XFGSQGPTKJNLOE-UHFFFAOYSA-N 0 1 393.882 3.379 20 0 GGADMN CCN(CC(C)(C)O)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000158223611 1424200731 /nfs/dbraw/zinc/20/07/31/1424200731.db2.gz QVBSQOMFNMOXAX-ZDUSSCGKSA-N 0 1 377.510 3.239 20 0 GGADMN Cc1ccc(C)n1C1CC[NH+](CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737332394 1424201135 /nfs/dbraw/zinc/20/11/35/1424201135.db2.gz UTENGRJGWNZBPF-UHFFFAOYSA-N 0 1 380.496 3.391 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(N(C)C)c2)CC1 ZINC000158236152 1424203666 /nfs/dbraw/zinc/20/36/66/1424203666.db2.gz RDHPJYQCFMEVER-QGZVFWFLSA-N 0 1 381.524 3.172 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000180040213 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1 387.524 3.024 20 0 GGADMN C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC000824697616 1424222474 /nfs/dbraw/zinc/22/24/74/1424222474.db2.gz DNZQHIPWCONWNF-PAXLWEDBSA-N 0 1 377.492 3.388 20 0 GGADMN CCOc1ccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC ZINC000158311027 1424223382 /nfs/dbraw/zinc/22/33/82/1424223382.db2.gz WOLSHKPKDXUKGU-HNNXBMFYSA-N 0 1 392.521 3.324 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)Nc3ccn(C)n3)cc2Cl)CC1 ZINC000158317442 1424224848 /nfs/dbraw/zinc/22/48/48/1424224848.db2.gz YAYBQIWBUNFOAN-UHFFFAOYSA-N 0 1 376.892 3.250 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)c2C1 ZINC000158322026 1424226157 /nfs/dbraw/zinc/22/61/57/1424226157.db2.gz FTULGFCJGMGUNX-QHCPKHFHSA-N 0 1 393.531 3.498 20 0 GGADMN Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CCC2 ZINC000826294356 1424227379 /nfs/dbraw/zinc/22/73/79/1424227379.db2.gz PEYLSEYNRNTLAV-FQEVSTJZSA-N 0 1 389.507 3.206 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CN3c4ccccc4O[C@@H](C)C3=O)c2C1 ZINC000158329410 1424227761 /nfs/dbraw/zinc/22/77/61/1424227761.db2.gz QEGGYNWSUXHVGX-INIZCTEOSA-N 0 1 393.487 3.411 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)Cc3csc(-c4nc[nH]n4)n3)c2C1 ZINC000158340348 1424230647 /nfs/dbraw/zinc/23/06/47/1424230647.db2.gz MPVCFJOLAWYSMY-UHFFFAOYSA-N 0 1 382.493 3.081 20 0 GGADMN COc1cccc(CCCN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000158345878 1424232146 /nfs/dbraw/zinc/23/21/46/1424232146.db2.gz MUUNLNHDJVLFRO-UHFFFAOYSA-N 0 1 397.519 3.035 20 0 GGADMN Cc1cc(NC(=O)CN2CCC3(CCCC3)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000158369499 1424238434 /nfs/dbraw/zinc/23/84/34/1424238434.db2.gz YFSJHDOWMOYXGU-UHFFFAOYSA-N 0 1 382.512 3.182 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC(N(C)C)C3)c3ccccc3n2)cc1OC ZINC000158372616 1424239366 /nfs/dbraw/zinc/23/93/66/1424239366.db2.gz QPZBLZCSHOZNAB-UHFFFAOYSA-N 0 1 391.471 3.305 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)Cn3c(=O)cnc4ccccc43)c2C1 ZINC000158376550 1424239652 /nfs/dbraw/zinc/23/96/52/1424239652.db2.gz DPZDGFRQRVRIMK-UHFFFAOYSA-N 0 1 376.460 3.007 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c2C1 ZINC000158380396 1424240413 /nfs/dbraw/zinc/24/04/13/1424240413.db2.gz XFZUKFIIPKXOMF-QGZVFWFLSA-N 0 1 381.476 3.238 20 0 GGADMN CC(C)C(=O)N1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000158382144 1424241284 /nfs/dbraw/zinc/24/12/84/1424241284.db2.gz BPYSDQGOAWPGIJ-UHFFFAOYSA-N 0 1 376.888 3.123 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(F)c(OC)c1 ZINC000158394276 1424244567 /nfs/dbraw/zinc/24/45/67/1424244567.db2.gz GHEOUWXOFVMHGY-UHFFFAOYSA-N 0 1 387.455 3.237 20 0 GGADMN C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000820420570 1424245450 /nfs/dbraw/zinc/24/54/50/1424245450.db2.gz TVQXZEYJJMBBCQ-OAHLLOKOSA-N 0 1 390.491 3.425 20 0 GGADMN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC2(CCCC2)CC1 ZINC000158403823 1424245874 /nfs/dbraw/zinc/24/58/74/1424245874.db2.gz UUUWSPOVGOZJFA-ZDUSSCGKSA-N 0 1 397.441 3.203 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)[nH]c21 ZINC000158401503 1424245959 /nfs/dbraw/zinc/24/59/59/1424245959.db2.gz HCNAJUXFTPZXCR-UHFFFAOYSA-N 0 1 393.378 3.235 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)[nH]c21 ZINC000158416679 1424249048 /nfs/dbraw/zinc/24/90/48/1424249048.db2.gz IRPMXYJJKKBSHS-UHFFFAOYSA-N 0 1 397.406 3.176 20 0 GGADMN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000158420491 1424250607 /nfs/dbraw/zinc/25/06/07/1424250607.db2.gz RXHHMCHWYTWSMK-UHFFFAOYSA-N 0 1 375.900 3.314 20 0 GGADMN Cc1nc(COc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2)no1 ZINC000158444280 1424256265 /nfs/dbraw/zinc/25/62/65/1424256265.db2.gz JYRASQLCJCJTKT-UHFFFAOYSA-N 0 1 382.439 3.418 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000158449644 1424257293 /nfs/dbraw/zinc/25/72/93/1424257293.db2.gz OUGISQATQKMRBB-INIZCTEOSA-N 0 1 393.528 3.392 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)[nH]c21 ZINC000158447913 1424257942 /nfs/dbraw/zinc/25/79/42/1424257942.db2.gz RMMJURDACKQQEY-UHFFFAOYSA-N 0 1 379.351 3.131 20 0 GGADMN CC(C)Cc1ccc(CCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000158481904 1424269260 /nfs/dbraw/zinc/26/92/60/1424269260.db2.gz NELQMQSUVCUYBS-UHFFFAOYSA-N 0 1 394.563 3.281 20 0 GGADMN CCOC(=O)N[C@H](CN[C@@H](c1cnn(C)c1)c1cccc(F)c1)CC(C)C ZINC000180048265 1429712821 /nfs/dbraw/zinc/71/28/21/1429712821.db2.gz NVHCAPBNZDZLOR-RBUKOAKNSA-N 0 1 376.476 3.399 20 0 GGADMN Cc1nc(CCSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)cs1 ZINC000158489708 1424270664 /nfs/dbraw/zinc/27/06/64/1424270664.db2.gz MGICQSJUXBFPIC-UHFFFAOYSA-N 0 1 383.506 3.149 20 0 GGADMN O=C(c1ccc2nnc(C(F)F)n2c1)N1CCCN(Cc2ccccc2)CC1 ZINC000158493888 1424271296 /nfs/dbraw/zinc/27/12/96/1424271296.db2.gz IJANNOCHUWBEDI-UHFFFAOYSA-N 0 1 385.418 3.015 20 0 GGADMN CCOC(=O)N[C@@H](CN[C@@H](c1cnn(C)c1)c1cccc(F)c1)CC(C)C ZINC000180048280 1429713028 /nfs/dbraw/zinc/71/30/28/1429713028.db2.gz NVHCAPBNZDZLOR-RTBURBONSA-N 0 1 376.476 3.399 20 0 GGADMN CCNC(=O)C(C)(C)CN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000158494888 1424272667 /nfs/dbraw/zinc/27/26/67/1424272667.db2.gz GRPSQGCPDNAHFX-FQEVSTJZSA-N 0 1 397.519 3.435 20 0 GGADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccccc3N3CCCCC3)cc12 ZINC000158549488 1424286678 /nfs/dbraw/zinc/28/66/78/1424286678.db2.gz XNWBJPYUTUWCAK-UHFFFAOYSA-N 0 1 385.493 3.068 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(Cl)cc1F ZINC000158574272 1424293655 /nfs/dbraw/zinc/29/36/55/1424293655.db2.gz WHOGHWADUDKHJO-DNVCBOLYSA-N 0 1 376.859 3.092 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)s1 ZINC000158578053 1424294493 /nfs/dbraw/zinc/29/44/93/1424294493.db2.gz JHUQQHIRKSCGPS-CABCVRRESA-N 0 1 396.578 3.462 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)s1 ZINC000158578487 1424294506 /nfs/dbraw/zinc/29/45/06/1424294506.db2.gz JHUQQHIRKSCGPS-LSDHHAIUSA-N 0 1 396.578 3.462 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000158596218 1424298099 /nfs/dbraw/zinc/29/80/99/1424298099.db2.gz FQQGOJCFYUGKML-HOTGVXAUSA-N 0 1 392.496 3.303 20 0 GGADMN COC(=O)Cc1cccc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)c1 ZINC000158596417 1424298313 /nfs/dbraw/zinc/29/83/13/1424298313.db2.gz JENDBTNUFBOYCD-UHFFFAOYSA-N 0 1 379.416 3.362 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000158596360 1424298582 /nfs/dbraw/zinc/29/85/82/1424298582.db2.gz FQQGOJCFYUGKML-HZPDHXFCSA-N 0 1 392.496 3.303 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000158600946 1424299209 /nfs/dbraw/zinc/29/92/09/1424299209.db2.gz CHUOQFZFAHPZEC-JKSUJKDBSA-N 0 1 392.496 3.303 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)n1C(C)C ZINC000158624775 1424304201 /nfs/dbraw/zinc/30/42/01/1424304201.db2.gz CEHJKXAMTSEXHL-IFMALSPDSA-N 0 1 383.536 3.299 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)n1C(C)C ZINC000158624945 1424304669 /nfs/dbraw/zinc/30/46/69/1424304669.db2.gz CEHJKXAMTSEXHL-IRLDBZIGSA-N 0 1 383.536 3.299 20 0 GGADMN O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1nnc2ccccc2c1O ZINC000158633067 1424305521 /nfs/dbraw/zinc/30/55/21/1424305521.db2.gz QBHHLSQLLCAKNI-UHFFFAOYSA-N 0 1 385.427 3.314 20 0 GGADMN Cc1ccc([C@H]2CCCCCN2CC(=O)NC2CCC3(CC2)OCCO3)o1 ZINC000158663471 1424312881 /nfs/dbraw/zinc/31/28/81/1424312881.db2.gz JWKYOOABDIZYGJ-GOSISDBHSA-N 0 1 376.497 3.307 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000158666780 1424313989 /nfs/dbraw/zinc/31/39/89/1424313989.db2.gz JSWZOMWHFGZNSW-AKHDSKFASA-N 0 1 398.469 3.354 20 0 GGADMN Cc1cnn(-c2ccc(C)cc2NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000158674190 1424315503 /nfs/dbraw/zinc/31/55/03/1424315503.db2.gz MIODLVNRISXAGG-ROUUACIJSA-N 0 1 385.512 3.110 20 0 GGADMN Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)c21 ZINC000158703743 1424323086 /nfs/dbraw/zinc/32/30/86/1424323086.db2.gz UTJGBCISMJSGSX-DENIHFKCSA-N 0 1 391.515 3.018 20 0 GGADMN COc1cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc2c1OCO2 ZINC000158709208 1424323756 /nfs/dbraw/zinc/32/37/56/1424323756.db2.gz MWQRNBATVVBITR-UHFFFAOYSA-N 0 1 394.471 3.481 20 0 GGADMN Cc1cnccc1CCNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000158711625 1424324664 /nfs/dbraw/zinc/32/46/64/1424324664.db2.gz JSUIBZXLJFJPLT-RTBURBONSA-N 0 1 396.535 3.041 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1csc(-c2ccco2)n1 ZINC000158716767 1424326029 /nfs/dbraw/zinc/32/60/29/1424326029.db2.gz PSQZUOFRHHRBIT-IAGOWNOFSA-N 0 1 397.500 3.016 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(CC[S@@](=O)c3ccccc3)C2)C1 ZINC000158722450 1424326953 /nfs/dbraw/zinc/32/69/53/1424326953.db2.gz DAXBWCDOMUOVTK-FNZWTVRRSA-N 0 1 378.538 3.127 20 0 GGADMN Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158742401 1424332183 /nfs/dbraw/zinc/33/21/83/1424332183.db2.gz AUXUNLAWRQPYLP-XXBNENTESA-N 0 1 391.515 3.018 20 0 GGADMN C[C@H](C(=O)N1CCCCCC1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158746038 1424333412 /nfs/dbraw/zinc/33/34/12/1424333412.db2.gz HXWYONLIBIDZIV-UTKZUKDTSA-N 0 1 379.545 3.110 20 0 GGADMN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(F)c1 ZINC000158752814 1424334191 /nfs/dbraw/zinc/33/41/91/1424334191.db2.gz BFVUWSUOAWBNQU-ZNLUXHQJSA-N 0 1 384.495 3.319 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000158760697 1424336657 /nfs/dbraw/zinc/33/66/57/1424336657.db2.gz JSYQMUQFCPPENT-UHFFFAOYSA-N 0 1 381.402 3.449 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826405159 1424347123 /nfs/dbraw/zinc/34/71/23/1424347123.db2.gz WYJHCLCHGUYQDQ-MRXNPFEDSA-N 0 1 383.402 3.382 20 0 GGADMN O=C(NCCc1nnc(-c2ccccc2)o1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000158824651 1424350932 /nfs/dbraw/zinc/35/09/32/1424350932.db2.gz AOSGNWBYDIXRLB-KRWDZBQOSA-N 0 1 395.463 3.008 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccnc(Cl)c2F)N2CCCC2)cc1 ZINC000158845313 1424355423 /nfs/dbraw/zinc/35/54/23/1424355423.db2.gz PGOVHPJBSCMJMY-INIZCTEOSA-N 0 1 377.847 3.450 20 0 GGADMN CC(C)C[N@@H+](CCOc1cccc(-c2nnn[n-]2)c1)C[C@H](O)c1ccc(F)cc1 ZINC000735827173 1424357647 /nfs/dbraw/zinc/35/76/47/1424357647.db2.gz HWPIBZAFSCXBRD-FQEVSTJZSA-N 0 1 399.470 3.076 20 0 GGADMN CC(C)C[N@H+](CCOc1cccc(-c2nn[n-]n2)c1)C[C@H](O)c1ccc(F)cc1 ZINC000735827173 1424357655 /nfs/dbraw/zinc/35/76/55/1424357655.db2.gz HWPIBZAFSCXBRD-FQEVSTJZSA-N 0 1 399.470 3.076 20 0 GGADMN CC(C)C[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)C[C@H](O)c1ccc(F)cc1 ZINC000735827173 1424357660 /nfs/dbraw/zinc/35/76/60/1424357660.db2.gz HWPIBZAFSCXBRD-FQEVSTJZSA-N 0 1 399.470 3.076 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000158855188 1424358020 /nfs/dbraw/zinc/35/80/20/1424358020.db2.gz GNXOYGMGAZTHIX-IBGZPJMESA-N 0 1 385.895 3.475 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826169345 1429725651 /nfs/dbraw/zinc/72/56/51/1429725651.db2.gz PSPWUVASSTUNMG-ROUUACIJSA-N 0 1 397.479 3.337 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826169345 1429725655 /nfs/dbraw/zinc/72/56/55/1429725655.db2.gz PSPWUVASSTUNMG-ROUUACIJSA-N 0 1 397.479 3.337 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826169345 1429725662 /nfs/dbraw/zinc/72/56/62/1429725662.db2.gz PSPWUVASSTUNMG-ROUUACIJSA-N 0 1 397.479 3.337 20 0 GGADMN CN(C)C1(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)CCC1 ZINC000158882892 1424363923 /nfs/dbraw/zinc/36/39/23/1424363923.db2.gz IGOWWZGQBDRJCE-UHFFFAOYSA-N 0 1 393.553 3.063 20 0 GGADMN COc1cccc(C(=O)NCCN[C@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180066286 1429722006 /nfs/dbraw/zinc/72/20/06/1429722006.db2.gz PCJBVBDSWBEJHK-CYBMUJFWSA-N 0 1 386.883 3.316 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OCCOC)cc2)cc1 ZINC000158959528 1424382396 /nfs/dbraw/zinc/38/23/96/1424382396.db2.gz IKMISADQDCKNIA-MRXNPFEDSA-N 0 1 377.506 3.356 20 0 GGADMN Cc1cc2oc(=O)cc(CN(C)CCN3C(=O)c4ccccc4C3=O)c2cc1C ZINC000158964994 1424382780 /nfs/dbraw/zinc/38/27/80/1424382780.db2.gz XEVQFZCUBIPETR-UHFFFAOYSA-N 0 1 390.439 3.138 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cccc(OCCOC)c2)cc1 ZINC000159019371 1424396805 /nfs/dbraw/zinc/39/68/05/1424396805.db2.gz CDYZNNVUCIVBHC-INIZCTEOSA-N 0 1 377.506 3.356 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822496332 1424397522 /nfs/dbraw/zinc/39/75/22/1424397522.db2.gz JOPYVYHPVOPPEK-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822496332 1424397530 /nfs/dbraw/zinc/39/75/30/1424397530.db2.gz JOPYVYHPVOPPEK-AWEZNQCLSA-N 0 1 375.839 3.038 20 0 GGADMN CCc1nc(CN(CC(=O)Nc2ccccc2F)Cc2ccccc2F)n[nH]1 ZINC000159039802 1424402238 /nfs/dbraw/zinc/40/22/38/1424402238.db2.gz UBDXLQCVMJBYQD-UHFFFAOYSA-N 0 1 385.418 3.286 20 0 GGADMN CN(CCC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000159045795 1424403886 /nfs/dbraw/zinc/40/38/86/1424403886.db2.gz QFXJGVFJIIHPDI-INIZCTEOSA-N 0 1 379.501 3.180 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H](c1ccccc1)N1CCSCC1 ZINC000159058897 1424406939 /nfs/dbraw/zinc/40/69/39/1424406939.db2.gz KKQJHKFPOBWEDG-CTNGQTDRSA-N 0 1 399.560 3.323 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H](c1ccccc1)N1CCSCC1 ZINC000159058597 1424407176 /nfs/dbraw/zinc/40/71/76/1424407176.db2.gz KKQJHKFPOBWEDG-FPOVZHCZSA-N 0 1 399.560 3.323 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2c(Cl)n(C)nc2C(C)C)N(C)C)c1 ZINC000159075754 1424411100 /nfs/dbraw/zinc/41/11/00/1424411100.db2.gz HPHTUXLZSHEBBI-OAHLLOKOSA-N 0 1 378.904 3.238 20 0 GGADMN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000159080642 1424412124 /nfs/dbraw/zinc/41/21/24/1424412124.db2.gz PHSMAESNNLWSTN-UHFFFAOYSA-N 0 1 379.435 3.015 20 0 GGADMN C[C@H]1C[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000736237196 1429724441 /nfs/dbraw/zinc/72/44/41/1429724441.db2.gz VBXNDCLGLDZENJ-WMLDXEAASA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000736237196 1429724448 /nfs/dbraw/zinc/72/44/48/1429724448.db2.gz VBXNDCLGLDZENJ-WMLDXEAASA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000736237196 1429724456 /nfs/dbraw/zinc/72/44/56/1429724456.db2.gz VBXNDCLGLDZENJ-WMLDXEAASA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000159135529 1424425247 /nfs/dbraw/zinc/42/52/47/1424425247.db2.gz MGQNMTKHMVNEOK-KRWDZBQOSA-N 0 1 384.549 3.341 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000159134397 1424425276 /nfs/dbraw/zinc/42/52/76/1424425276.db2.gz QONIFDGJEGXQKH-LJQANCHMSA-N 0 1 386.496 3.016 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000159143675 1424427575 /nfs/dbraw/zinc/42/75/75/1424427575.db2.gz PENLHDZVVZWTEM-LSDHHAIUSA-N 0 1 395.546 3.296 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000159144018 1424427806 /nfs/dbraw/zinc/42/78/06/1424427806.db2.gz PENLHDZVVZWTEM-CABCVRRESA-N 0 1 395.546 3.296 20 0 GGADMN COCCC1(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CC1 ZINC000159144567 1424427826 /nfs/dbraw/zinc/42/78/26/1424427826.db2.gz RRGWACSNZAGECT-UHFFFAOYSA-N 0 1 398.481 3.443 20 0 GGADMN Cc1ccnc(N2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000159165598 1424432843 /nfs/dbraw/zinc/43/28/43/1424432843.db2.gz DDDUSZCPQMUDQN-SFHVURJKSA-N 0 1 379.426 3.134 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000824599422 1424434119 /nfs/dbraw/zinc/43/41/19/1424434119.db2.gz OJSJVTDRJLMUKB-MRXNPFEDSA-N 0 1 378.480 3.197 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)c1cccc(F)c1 ZINC000159172152 1424434608 /nfs/dbraw/zinc/43/46/08/1424434608.db2.gz PCJCELZIQSGSDE-QRVBRYPASA-N 0 1 389.471 3.319 20 0 GGADMN COc1ccc(C(F)(F)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000159174010 1424434702 /nfs/dbraw/zinc/43/47/02/1424434702.db2.gz QJZWELVGLBKUIA-UHFFFAOYSA-N 0 1 389.446 3.486 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)CCOCc3ccccc3)n[nH]2)cc1OC ZINC000159201977 1424441224 /nfs/dbraw/zinc/44/12/24/1424441224.db2.gz WSHHTEFFSQYMRT-UHFFFAOYSA-N 0 1 395.459 3.383 20 0 GGADMN CCCn1nc(C)c(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1C ZINC000821148256 1429726883 /nfs/dbraw/zinc/72/68/83/1429726883.db2.gz NBVKKDFORCVZBT-UHFFFAOYSA-N 0 1 385.541 3.113 20 0 GGADMN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cccc2nc[nH]c21 ZINC000159217872 1424445874 /nfs/dbraw/zinc/44/58/74/1424445874.db2.gz JTFFLLCTXCAOJU-SFHVURJKSA-N 0 1 384.867 3.020 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000159221694 1424449217 /nfs/dbraw/zinc/44/92/17/1424449217.db2.gz OESKKGIWJYNMIV-UHFFFAOYSA-N 0 1 380.448 3.223 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NC1C[C@H](C)O[C@@H](C)C1)N1CCCCC1 ZINC000159229206 1424452403 /nfs/dbraw/zinc/45/24/03/1424452403.db2.gz FAQYAMNFHYNKIT-ZWOKBUDYSA-N 0 1 389.540 3.477 20 0 GGADMN COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000159235784 1424453341 /nfs/dbraw/zinc/45/33/41/1424453341.db2.gz CJJWSCHQCNINNY-UHFFFAOYSA-N 0 1 376.460 3.319 20 0 GGADMN Cc1cccc(-n2cc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)nn2)c1 ZINC000159238508 1424454946 /nfs/dbraw/zinc/45/49/46/1424454946.db2.gz DOUWBPVIOPEDKF-SFHVURJKSA-N 0 1 381.505 3.204 20 0 GGADMN Cc1ccc2nc(C)c(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)cc2c1 ZINC000159243112 1424456499 /nfs/dbraw/zinc/45/64/99/1424456499.db2.gz ZALJVOCTDNWYMP-OAQYLSRUSA-N 0 1 389.499 3.001 20 0 GGADMN Cc1cc2cc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)oc2cc1C ZINC000159258016 1424461088 /nfs/dbraw/zinc/46/10/88/1424461088.db2.gz NAVHNVIFDIDUJL-HXUWFJFHSA-N 0 1 378.472 3.199 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(CC)n2)cc1 ZINC000159274371 1424467811 /nfs/dbraw/zinc/46/78/11/1424467811.db2.gz LURYMQPEZBDBGK-UHFFFAOYSA-N 0 1 399.476 3.183 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159277243 1424469892 /nfs/dbraw/zinc/46/98/92/1424469892.db2.gz IJFZSMROAILVHU-OAHLLOKOSA-N 0 1 395.482 3.335 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159291512 1424475221 /nfs/dbraw/zinc/47/52/21/1424475221.db2.gz VZLDIRHILHTQIB-QFBILLFUSA-N 0 1 397.485 3.437 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000159292085 1424475435 /nfs/dbraw/zinc/47/54/35/1424475435.db2.gz YWBNTSLKCZZXMD-QFBILLFUSA-N 0 1 397.485 3.122 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000159309546 1424480466 /nfs/dbraw/zinc/48/04/66/1424480466.db2.gz WJLROEAJGDKAIX-IBGZPJMESA-N 0 1 387.524 3.197 20 0 GGADMN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(-c3nnc[nH]3)c2)c(C)c1 ZINC000159327933 1424486796 /nfs/dbraw/zinc/48/67/96/1424486796.db2.gz DHRMCEZPNKTHDA-UHFFFAOYSA-N 0 1 377.448 3.108 20 0 GGADMN Fc1ccc(C2([NH2+]CCCOc3ccc(-c4nnn[n-]4)cc3)CCOCC2)cc1 ZINC000737652622 1424486805 /nfs/dbraw/zinc/48/68/05/1424486805.db2.gz VRBDBKZJDSMJIM-UHFFFAOYSA-N 0 1 397.454 3.070 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000159405458 1424500711 /nfs/dbraw/zinc/50/07/11/1424500711.db2.gz CHKOBPWONKCCNU-UHFFFAOYSA-N 0 1 399.332 3.438 20 0 GGADMN C[C@@H](C(=O)Nc1cc2c(cc1N)OCO2)N1CCC(Cc2ccccc2)CC1 ZINC000159453661 1424503540 /nfs/dbraw/zinc/50/35/40/1424503540.db2.gz PCINHZKTKRJRQB-HNNXBMFYSA-N 0 1 381.476 3.279 20 0 GGADMN O=CNc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000159451754 1424503611 /nfs/dbraw/zinc/50/36/11/1424503611.db2.gz MAFHBBSKFBHPSO-GOSISDBHSA-N 0 1 387.867 3.008 20 0 GGADMN CC/C(=C/C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1 ZINC000159534928 1424511829 /nfs/dbraw/zinc/51/18/29/1424511829.db2.gz BZMBOQVJAWGCRB-HKWRFOASSA-N 0 1 378.520 3.252 20 0 GGADMN CCOCCOCc1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825599109 1424513970 /nfs/dbraw/zinc/51/39/70/1424513970.db2.gz HRHMDVUQYFXSGD-MRXNPFEDSA-N 0 1 381.480 3.271 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CCN1CCOC ZINC000159580850 1424515878 /nfs/dbraw/zinc/51/58/78/1424515878.db2.gz VXPGJDLCVASIKX-SFHVURJKSA-N 0 1 392.519 3.391 20 0 GGADMN CN(C)[C@@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000159649512 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O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H](O)c1ccccc1Cl ZINC000160097996 1424573521 /nfs/dbraw/zinc/57/35/21/1424573521.db2.gz DDYFGPPQABMHNR-LJQANCHMSA-N 0 1 376.859 3.293 20 0 GGADMN COc1cccc([C@H](O)C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000160164081 1424582402 /nfs/dbraw/zinc/58/24/02/1424582402.db2.gz RBQYUMAJMICCPR-IRLDBZIGSA-N 0 1 398.503 3.081 20 0 GGADMN Cc1ccccc1[C@H](C)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822345703 1424584371 /nfs/dbraw/zinc/58/43/71/1424584371.db2.gz PPZQBKMKMLXKRF-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccccc1[C@H](C)[N@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822345703 1424584373 /nfs/dbraw/zinc/58/43/73/1424584373.db2.gz PPZQBKMKMLXKRF-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccccc1[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822345703 1424584379 /nfs/dbraw/zinc/58/43/79/1424584379.db2.gz PPZQBKMKMLXKRF-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160189872 1424585009 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GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H](O)c3ccccc3C)n2)cc1 ZINC000160464492 1424606019 /nfs/dbraw/zinc/60/60/19/1424606019.db2.gz FAWYXIYOJCLWAE-QGZVFWFLSA-N 0 1 382.489 3.030 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736829000 1424608087 /nfs/dbraw/zinc/60/80/87/1424608087.db2.gz UOCCCXHRERVNNC-UHFFFAOYSA-N 0 1 399.458 3.146 20 0 GGADMN CC(C)Oc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824324775 1424636413 /nfs/dbraw/zinc/63/64/13/1424636413.db2.gz VFRPPYJACMFLRE-HNNXBMFYSA-N 0 1 394.479 3.333 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)c3cccc(-c4nnc[nH]4)c3)cc2F)C[C@H](C)O1 ZINC000160823964 1424637280 /nfs/dbraw/zinc/63/72/80/1424637280.db2.gz GRINZWIKKWCRGA-OKILXGFUSA-N 0 1 395.438 3.477 20 0 GGADMN O[C@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21)c1ccc2ccccc2c1 ZINC000823690916 1424637519 /nfs/dbraw/zinc/63/75/19/1424637519.db2.gz XSUMGEDYFAMERW-HXUWFJFHSA-N 0 1 382.427 3.136 20 0 GGADMN COC(=O)NCc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000160842034 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FRBQZUJMSDOKKA-UHFFFAOYSA-N 0 1 388.480 3.396 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000826232214 1424671765 /nfs/dbraw/zinc/67/17/65/1424671765.db2.gz CTDFUOJUGPPUJK-JTQLQIEISA-N 0 1 391.262 3.463 20 0 GGADMN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000161301105 1424673413 /nfs/dbraw/zinc/67/34/13/1424673413.db2.gz VZMMRSZCSVVEBT-UHFFFAOYSA-N 0 1 378.425 3.300 20 0 GGADMN c1ccc([C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)cc1 ZINC000738425083 1429745650 /nfs/dbraw/zinc/74/56/50/1429745650.db2.gz KFNARRKMDOWACY-GOSISDBHSA-N 0 1 386.463 3.059 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN([C@@H](C)c1nnc(-c3ccc(C)c(C)c3)o1)CC2 ZINC000161416005 1424685611 /nfs/dbraw/zinc/68/56/11/1424685611.db2.gz HEWXFZCDOFRYEC-HNNXBMFYSA-N 0 1 398.463 3.198 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN([C@H](C)c1nnc(-c3ccc(C)c(C)c3)o1)CC2 ZINC000161415879 1424686196 /nfs/dbraw/zinc/68/61/96/1424686196.db2.gz HEWXFZCDOFRYEC-OAHLLOKOSA-N 0 1 398.463 3.198 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc4ccc(=O)oc4c3)c2C)o1 ZINC000161468650 1424693459 /nfs/dbraw/zinc/69/34/59/1424693459.db2.gz RLDMWNRDMRFRJC-UHFFFAOYSA-N 0 1 379.372 3.410 20 0 GGADMN C[C@H](OC[C@H](O)CN1CCC([C@H](O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000161517800 1424698897 /nfs/dbraw/zinc/69/88/97/1424698897.db2.gz AXBILYOSXKROJN-VUCTXSBTSA-N 0 1 395.849 3.414 20 0 GGADMN C[C@H](OC[C@@H](O)CN1CCC([C@H](O)C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000161518044 1424699060 /nfs/dbraw/zinc/69/90/60/1424699060.db2.gz AXBILYOSXKROJN-ZLIFDBKOSA-N 0 1 395.849 3.414 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)c2C)o1 ZINC000161520786 1424699507 /nfs/dbraw/zinc/69/95/07/1424699507.db2.gz XAFZONHBQXDAEG-UHFFFAOYSA-N 0 1 391.431 3.484 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000161527187 1424700474 /nfs/dbraw/zinc/70/04/74/1424700474.db2.gz CONWADBFFJENJF-SFHVURJKSA-N 0 1 386.496 3.423 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)c3ccnc(Cl)c3F)CC2)c1 ZINC000161524120 1424700805 /nfs/dbraw/zinc/70/08/05/1424700805.db2.gz GQXANUFJIOQUQM-UHFFFAOYSA-N 0 1 390.890 3.125 20 0 GGADMN Cn1cc(N2CC[C@H](NCc3ccc(Sc4ccccc4)cc3)C2=O)cn1 ZINC000161531676 1424701804 /nfs/dbraw/zinc/70/18/04/1424701804.db2.gz VUHWDZBMPXFZLD-FQEVSTJZSA-N 0 1 378.501 3.466 20 0 GGADMN Cn1cc(N2CC[C@@H](NCc3ccc(Sc4ccccc4)cc3)C2=O)cn1 ZINC000161531782 1424701886 /nfs/dbraw/zinc/70/18/86/1424701886.db2.gz VUHWDZBMPXFZLD-HXUWFJFHSA-N 0 1 378.501 3.466 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCC(=O)N(C)Cc1cccc(OC)c1OC ZINC000161545339 1424705682 /nfs/dbraw/zinc/70/56/82/1424705682.db2.gz VRPVWDWBXPHSHV-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CN3c4ccccc4O[C@@H](C)C3=O)c2C)o1 ZINC000161555647 1424709442 /nfs/dbraw/zinc/70/94/42/1424709442.db2.gz PMMDIRMASJCWSP-ZDUSSCGKSA-N 0 1 380.404 3.039 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](NCC1(OC)CCOCC1)c1ccccc1 ZINC000161562761 1424711266 /nfs/dbraw/zinc/71/12/66/1424711266.db2.gz BFLHCLAGUNRGGZ-NRFANRHFSA-N 0 1 398.503 3.469 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](NCC1(OC)CCOCC1)c1ccccc1 ZINC000161562630 1424711299 /nfs/dbraw/zinc/71/12/99/1424711299.db2.gz BFLHCLAGUNRGGZ-OAQYLSRUSA-N 0 1 398.503 3.469 20 0 GGADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)Cc1ccc(F)cc1F ZINC000161565241 1424712566 /nfs/dbraw/zinc/71/25/66/1424712566.db2.gz GLGJQIRBLASFMI-XLIONFOSSA-N 0 1 392.471 3.411 20 0 GGADMN COc1cc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1OC ZINC000161567175 1424713004 /nfs/dbraw/zinc/71/30/04/1424713004.db2.gz VQAHRKWWIRYXOG-HNNXBMFYSA-N 0 1 378.469 3.471 20 0 GGADMN COc1cc(F)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1OC ZINC000161567327 1424713025 /nfs/dbraw/zinc/71/30/25/1424713025.db2.gz VQAHRKWWIRYXOG-OAHLLOKOSA-N 0 1 378.469 3.471 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)c1c(C)noc1C ZINC000161575628 1424715234 /nfs/dbraw/zinc/71/52/34/1424715234.db2.gz LYVCKXHSAWSFFC-UHFFFAOYSA-N 0 1 387.484 3.110 20 0 GGADMN C[C@](NC(=O)c1ccc(O)c(Cl)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000180126192 1429748064 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/nfs/dbraw/zinc/85/53/46/1424855346.db2.gz RHODEHHBYFSDSH-NSHDSACASA-N 0 1 383.379 3.336 20 0 GGADMN CCN(c1ccc(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)cn1)C(C)C ZINC000162472396 1424856147 /nfs/dbraw/zinc/85/61/47/1424856147.db2.gz DYFVIDIFPNHVPB-UHFFFAOYSA-N 0 1 381.436 3.232 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC000162495613 1424859207 /nfs/dbraw/zinc/85/92/07/1424859207.db2.gz KESDWIWOVLBOLZ-LBPRGKRZSA-N 0 1 388.411 3.056 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cnn(CC(C)C)c3C(F)F)[nH]c21 ZINC000162500236 1424859448 /nfs/dbraw/zinc/85/94/48/1424859448.db2.gz WWOXEHITONRBIP-UHFFFAOYSA-N 0 1 391.378 3.392 20 0 GGADMN Cn1cnnc1-c1cncc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000162512141 1424860490 /nfs/dbraw/zinc/86/04/90/1424860490.db2.gz JNUXDKFCNTYFIL-UHFFFAOYSA-N 0 1 379.811 3.173 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3sc(-c4ccccn4)nc3C)[nH]c21 ZINC000162529512 1424862262 /nfs/dbraw/zinc/86/22/62/1424862262.db2.gz SJKQDUZPXASHKZ-UHFFFAOYSA-N 0 1 393.428 3.429 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(C)nc3Br)[nH]c21 ZINC000162527610 1424862297 /nfs/dbraw/zinc/86/22/97/1424862297.db2.gz UBJBXTBEBTVKEE-UHFFFAOYSA-N 0 1 389.209 3.068 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)C(F)(F)c3ccc(OC)cc3)[nH]c21 ZINC000162535175 1424863622 /nfs/dbraw/zinc/86/36/22/1424863622.db2.gz HDBUDQJGQFJEQF-UHFFFAOYSA-N 0 1 375.331 3.089 20 0 GGADMN CN(C)C(=O)COc1ccccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000162539224 1424863942 /nfs/dbraw/zinc/86/39/42/1424863942.db2.gz PMOAZNMGVRJZQN-LJQANCHMSA-N 0 1 396.487 3.262 20 0 GGADMN COC(=O)CCn1nc(C)c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C ZINC000162537726 1424864109 /nfs/dbraw/zinc/86/41/09/1424864109.db2.gz FUYDTAJZDPVJBG-LJQANCHMSA-N 0 1 399.491 3.171 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000162542484 1424864425 /nfs/dbraw/zinc/86/44/25/1424864425.db2.gz ZHMDQUFAEXUDHP-YJBOKZPZSA-N 0 1 387.505 3.254 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)c3cccc(F)c3F)n2)cc1 ZINC000162556185 1424865585 /nfs/dbraw/zinc/86/55/85/1424865585.db2.gz RFMSUKWHPQZBMD-NSHDSACASA-N 0 1 387.390 3.319 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](C)c3cccc(F)c3F)n[nH]2)cc1 ZINC000162556185 1424865586 /nfs/dbraw/zinc/86/55/86/1424865586.db2.gz RFMSUKWHPQZBMD-NSHDSACASA-N 0 1 387.390 3.319 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cc(F)cc4cccnc43)c2)CC1 ZINC000162551903 1424865744 /nfs/dbraw/zinc/86/57/44/1424865744.db2.gz GGSQIOMXRALAIW-UHFFFAOYSA-N 0 1 378.451 3.374 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820761740 1424867433 /nfs/dbraw/zinc/86/74/33/1424867433.db2.gz ZBHMSDOAOQOKKB-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820761740 1424867437 /nfs/dbraw/zinc/86/74/37/1424867437.db2.gz ZBHMSDOAOQOKKB-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820761740 1424867447 /nfs/dbraw/zinc/86/74/47/1424867447.db2.gz ZBHMSDOAOQOKKB-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN CC(C)(C)OC1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000162582750 1424868785 /nfs/dbraw/zinc/86/87/85/1424868785.db2.gz FCAGYJKVIWRSSI-LJQANCHMSA-N 0 1 378.488 3.005 20 0 GGADMN O=C(NNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1cccc(F)c1 ZINC000162587429 1424869217 /nfs/dbraw/zinc/86/92/17/1424869217.db2.gz GIWHLFNROLMKIY-UHFFFAOYSA-N 0 1 391.811 3.094 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 ZINC000162587304 1424869281 /nfs/dbraw/zinc/86/92/81/1424869281.db2.gz IJMPQNRTAGSAFK-NRFANRHFSA-N 0 1 381.476 3.173 20 0 GGADMN O=C(NNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(F)cc1 ZINC000162584969 1424869342 /nfs/dbraw/zinc/86/93/42/1424869342.db2.gz UOQPKICNYXWPKW-UHFFFAOYSA-N 0 1 391.811 3.094 20 0 GGADMN COc1ccc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)cc1-c1ccccn1 ZINC000162611813 1424871810 /nfs/dbraw/zinc/87/18/10/1424871810.db2.gz BVXFTTIVWVHHNK-GOSISDBHSA-N 0 1 384.476 3.271 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](Cn2ccnn2)C1)c1cccc2ccccc21 ZINC000162617853 1424872444 /nfs/dbraw/zinc/87/24/44/1424872444.db2.gz CZBIPMHZUUKREF-MSOLQXFVSA-N 0 1 377.492 3.021 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000821652158 1424872844 /nfs/dbraw/zinc/87/28/44/1424872844.db2.gz NAZBXBLBDNHIDT-XPGWFJOJSA-N 0 1 391.475 3.206 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000821652158 1424872850 /nfs/dbraw/zinc/87/28/50/1424872850.db2.gz NAZBXBLBDNHIDT-XPGWFJOJSA-N 0 1 391.475 3.206 20 0 GGADMN C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824571059 1424878565 /nfs/dbraw/zinc/87/85/65/1424878565.db2.gz POWDRALHMHIOPU-FOIQADDNSA-N 0 1 380.471 3.494 20 0 GGADMN C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824571059 1424878577 /nfs/dbraw/zinc/87/85/77/1424878577.db2.gz POWDRALHMHIOPU-FOIQADDNSA-N 0 1 380.471 3.494 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCN(Cc2cccc(C)c2)CC1 ZINC000162729446 1424885775 /nfs/dbraw/zinc/88/57/75/1424885775.db2.gz OVZKHKLBNCEOAY-UHFFFAOYSA-N 0 1 396.457 3.296 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000180148983 1429761087 /nfs/dbraw/zinc/76/10/87/1429761087.db2.gz LXMXEHSEQQEGOC-KRWDZBQOSA-N 0 1 378.457 3.395 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000820564322 1424888386 /nfs/dbraw/zinc/88/83/86/1424888386.db2.gz ZNSFZNAWYURPNR-DLBZAZTESA-N 0 1 390.491 3.070 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000820564322 1424888396 /nfs/dbraw/zinc/88/83/96/1424888396.db2.gz ZNSFZNAWYURPNR-DLBZAZTESA-N 0 1 390.491 3.070 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000820564322 1424888406 /nfs/dbraw/zinc/88/84/06/1424888406.db2.gz ZNSFZNAWYURPNR-DLBZAZTESA-N 0 1 390.491 3.070 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)Cc1c(F)cccc1F ZINC000162783805 1424889965 /nfs/dbraw/zinc/88/99/65/1424889965.db2.gz ZJTSBXDEMLIAPG-UHFFFAOYSA-N 0 1 394.487 3.391 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000162824428 1424893768 /nfs/dbraw/zinc/89/37/68/1424893768.db2.gz AVOVGGXEBSLNNX-NFBKMPQASA-N 0 1 395.503 3.300 20 0 GGADMN CC[C@H](CNC(=O)c1ccc2nnc(C(F)F)n2c1)N1CCc2ccccc2C1 ZINC000162851295 1424896545 /nfs/dbraw/zinc/89/65/45/1424896545.db2.gz XXNYAWKPMWNGHI-QGZVFWFLSA-N 0 1 399.445 3.234 20 0 GGADMN CC[C@@H](CNC(=O)c1cc(OC)c(OC)cc1F)N1CCc2ccccc2C1 ZINC000162850809 1424896804 /nfs/dbraw/zinc/89/68/04/1424896804.db2.gz IBCWFHLQBFWYDD-KRWDZBQOSA-N 0 1 386.467 3.410 20 0 GGADMN O=S(=O)(Cc1c(F)cccc1F)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000162857858 1424896964 /nfs/dbraw/zinc/89/69/64/1424896964.db2.gz SDIGKNYJEGFTGA-INIZCTEOSA-N 0 1 380.460 3.049 20 0 GGADMN CN1CCN(c2ccc(NCc3c[nH]nc3-c3ccc(Cl)cc3)cn2)CC1 ZINC000162879372 1424898726 /nfs/dbraw/zinc/89/87/26/1424898726.db2.gz VMPVAEAHELPPQP-UHFFFAOYSA-N 0 1 382.899 3.489 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)N2CCCC2)o1 ZINC000162888025 1424899737 /nfs/dbraw/zinc/89/97/37/1424899737.db2.gz FUEBZYSNBGODKA-HNNXBMFYSA-N 0 1 397.397 3.491 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CCN1CCOC ZINC000162910956 1424904517 /nfs/dbraw/zinc/90/45/17/1424904517.db2.gz FCPHQVUYGAOGOU-SFHVURJKSA-N 0 1 387.484 3.010 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(N2CCN(C)CC2)nc1 ZINC000162912638 1424905071 /nfs/dbraw/zinc/90/50/71/1424905071.db2.gz SGWPSHGKPIFKDN-UHFFFAOYSA-N 0 1 376.508 3.248 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162925137 1424907582 /nfs/dbraw/zinc/90/75/82/1424907582.db2.gz DRZAZRUACGDJFR-IRXDYDNUSA-N 0 1 398.511 3.001 20 0 GGADMN CCN(CCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1cccc(C)c1 ZINC000162930796 1424907874 /nfs/dbraw/zinc/90/78/74/1424907874.db2.gz ZYZMAJUBRGKPJL-SFHVURJKSA-N 0 1 396.539 3.406 20 0 GGADMN CN1CCN(c2ccc(NCc3c[nH]nc3-c3cccc(Cl)c3)cn2)CC1 ZINC000162929730 1424908221 /nfs/dbraw/zinc/90/82/21/1424908221.db2.gz FQLYQMAJALOJRF-UHFFFAOYSA-N 0 1 382.899 3.489 20 0 GGADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccccc1OC[C@@H]1CCCO1 ZINC000162931779 1424908258 /nfs/dbraw/zinc/90/82/58/1424908258.db2.gz PXBDCNSCFIAOHV-KRWDZBQOSA-N 0 1 392.459 3.002 20 0 GGADMN CCCCn1nc(C)c(CNc2ccc(N3CCN(C)CC3)nc2)c1Cl ZINC000162931414 1424908303 /nfs/dbraw/zinc/90/83/03/1424908303.db2.gz IOBMZYLVNXYBRV-UHFFFAOYSA-N 0 1 376.936 3.404 20 0 GGADMN CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000162931192 1424908367 /nfs/dbraw/zinc/90/83/67/1424908367.db2.gz MCWVKTDYYWKQFA-KJXJBNQASA-N 0 1 378.517 3.445 20 0 GGADMN CCC[C@H]1CN(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CCN1CCOC ZINC000162938547 1424909129 /nfs/dbraw/zinc/90/91/29/1424909129.db2.gz PWNNWFJBNOFFKT-RXVVDRJESA-N 0 1 399.539 3.076 20 0 GGADMN C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)OCCO2 ZINC000162935168 1424909135 /nfs/dbraw/zinc/90/91/35/1424909135.db2.gz MCWZQGYXZKUATB-CZUORRHYSA-N 0 1 397.479 3.104 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825981213 1424909581 /nfs/dbraw/zinc/90/95/81/1424909581.db2.gz QJWIRIDFPVHINT-UHFFFAOYSA-N 0 1 377.905 3.299 20 0 GGADMN C[N@H+](Cc1ccccc1)CC(C)(C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825981213 1424909583 /nfs/dbraw/zinc/90/95/83/1424909583.db2.gz QJWIRIDFPVHINT-UHFFFAOYSA-N 0 1 377.905 3.299 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825981213 1424909588 /nfs/dbraw/zinc/90/95/88/1424909588.db2.gz QJWIRIDFPVHINT-UHFFFAOYSA-N 0 1 377.905 3.299 20 0 GGADMN CN1CCN(c2ccc(NCc3ccc(OC[C@H]4CCCO4)cc3)cn2)CC1 ZINC000162940647 1424910043 /nfs/dbraw/zinc/91/00/43/1424910043.db2.gz QURQECFPNIVAIF-OAQYLSRUSA-N 0 1 382.508 3.003 20 0 GGADMN CCCn1nc(C)c(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000162940128 1424910132 /nfs/dbraw/zinc/91/01/32/1424910132.db2.gz LWHWYMWINJSFCN-OAQYLSRUSA-N 0 1 397.567 3.019 20 0 GGADMN CCN(CCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000162946926 1424910777 /nfs/dbraw/zinc/91/07/77/1424910777.db2.gz QLPZZCUTNYQFMQ-GOSISDBHSA-N 0 1 396.539 3.488 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000162976978 1424916427 /nfs/dbraw/zinc/91/64/27/1424916427.db2.gz JDILYRIABPBWSI-SUMWQHHRSA-N 0 1 396.495 3.291 20 0 GGADMN CCOCc1ccccc1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162984688 1424917720 /nfs/dbraw/zinc/91/77/20/1424917720.db2.gz JUUYCSOGRUHPGG-QGZVFWFLSA-N 0 1 383.496 3.308 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180145067 1429758778 /nfs/dbraw/zinc/75/87/78/1429758778.db2.gz GPRPVVGXDVQLQG-HNNXBMFYSA-N 0 1 383.496 3.304 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccnn3C(C)C)CC2)c1C ZINC000162990764 1424919273 /nfs/dbraw/zinc/91/92/73/1424919273.db2.gz OXLRNVWJJMGQMI-UHFFFAOYSA-N 0 1 399.539 3.221 20 0 GGADMN O=C(NCCCN1CCc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162989766 1424919446 /nfs/dbraw/zinc/91/94/46/1424919446.db2.gz SQJGNXVHAGNUML-GOSISDBHSA-N 0 1 394.523 3.024 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000162996446 1424920073 /nfs/dbraw/zinc/92/00/73/1424920073.db2.gz RKZMLIZKNZVFQP-PVAVHDDUSA-N 0 1 375.517 3.166 20 0 GGADMN CCN(CCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1C ZINC000162997461 1424920467 /nfs/dbraw/zinc/92/04/67/1424920467.db2.gz QMJSWZACPBSUJG-SFHVURJKSA-N 0 1 396.539 3.406 20 0 GGADMN Cc1ccc(N2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)cc1 ZINC000822242192 1424920740 /nfs/dbraw/zinc/92/07/40/1424920740.db2.gz DGILNPLPGWXHCE-UHFFFAOYSA-N 0 1 385.475 3.440 20 0 GGADMN O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000180146029 1429759130 /nfs/dbraw/zinc/75/91/30/1429759130.db2.gz NWQNUIDGNSKOQT-GFCCVEGCSA-N 0 1 389.830 3.127 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163016176 1424923884 /nfs/dbraw/zinc/92/38/84/1424923884.db2.gz LXWOTIQQYJQWPW-OAHLLOKOSA-N 0 1 383.471 3.442 20 0 GGADMN Cc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(Br)n1 ZINC000163027367 1424926220 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OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000826509781 1424962698 /nfs/dbraw/zinc/96/26/98/1424962698.db2.gz JQFJUJGUJNYCEU-UHFFFAOYSA-N 0 1 396.253 3.307 20 0 GGADMN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163239529 1424964705 /nfs/dbraw/zinc/96/47/05/1424964705.db2.gz RPYBKZVDMLQSPC-ULQDDVLXSA-N 0 1 375.517 3.022 20 0 GGADMN COc1cccc2c1CC[C@H]2NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163263897 1424968602 /nfs/dbraw/zinc/96/86/02/1424968602.db2.gz LFRISNAAYIXQMF-RHSMWYFYSA-N 0 1 381.480 3.267 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 ZINC000163262804 1424968641 /nfs/dbraw/zinc/96/86/41/1424968641.db2.gz HKJFHUDJUZATQO-SNRMKQJTSA-N 0 1 397.523 3.126 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@H](C)[C@H](n4ccnc4)C3)c2c1 ZINC000822195474 1424970383 /nfs/dbraw/zinc/97/03/83/1424970383.db2.gz SOHXWCGVODFHLQ-RDTXWAMCSA-N 0 1 388.479 3.316 20 0 GGADMN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163273381 1424971393 /nfs/dbraw/zinc/97/13/93/1424971393.db2.gz HVEPXONJEPODJY-JCHJZTRSSA-N 0 1 377.492 3.157 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163278334 1424972243 /nfs/dbraw/zinc/97/22/43/1424972243.db2.gz UMEZXSJCBYYCJH-GDAAHCPNSA-N 0 1 377.492 3.300 20 0 GGADMN CC(C)OC1CCC(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000163286559 1424973903 /nfs/dbraw/zinc/97/39/03/1424973903.db2.gz CHFAUECGMFWGSH-KLAILNCOSA-N 0 1 375.517 3.307 20 0 GGADMN CC[C@H](C)Oc1cc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccn1 ZINC000163309861 1424976993 /nfs/dbraw/zinc/97/69/93/1424976993.db2.gz NUKAQMCGTPRPRE-WMLDXEAASA-N 0 1 398.511 3.344 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820668469 1424979879 /nfs/dbraw/zinc/97/98/79/1424979879.db2.gz SYCMKNUGOSQFCJ-KSSFIOAISA-N 0 1 387.447 3.295 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000163349718 1424983843 /nfs/dbraw/zinc/98/38/43/1424983843.db2.gz ZFEJQEVNQHBKSP-INIZCTEOSA-N 0 1 389.446 3.287 20 0 GGADMN O=C(NCCc1cc(F)c(F)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163360772 1424984719 /nfs/dbraw/zinc/98/47/19/1424984719.db2.gz OINDVFKVVLCSEH-ZDUSSCGKSA-N 0 1 393.413 3.231 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[NH+]1CCC(C)CC1 ZINC000736278278 1424986005 /nfs/dbraw/zinc/98/60/05/1424986005.db2.gz QVUDEBWIFPTRRU-CYBMUJFWSA-N 0 1 388.541 3.256 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]2Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139850426 1424986737 /nfs/dbraw/zinc/98/67/37/1424986737.db2.gz ZVKMKXAIJLXVDC-UHFFFAOYSA-N 0 1 398.511 3.232 20 0 GGADMN COC(=O)c1cccc(CS(=O)(=O)Nc2ncccc2-c2ccccc2)c1 ZINC000180152218 1429764823 /nfs/dbraw/zinc/76/48/23/1429764823.db2.gz ADZGLXUHVMDWHM-UHFFFAOYSA-N 0 1 382.441 3.477 20 0 GGADMN C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820426222 1424990233 /nfs/dbraw/zinc/99/02/33/1424990233.db2.gz GYSIKBADGYQSFB-CQSZACIVSA-N 0 1 377.427 3.085 20 0 GGADMN CCN1C(=S)N=NC1C1CCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CC1 ZINC000163401234 1424991987 /nfs/dbraw/zinc/99/19/87/1424991987.db2.gz HWQYOPYAPFMGHI-UHFFFAOYSA-N 0 1 397.504 3.169 20 0 GGADMN c1ccc(CC2CC[NH+](CCCCNc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000738429360 1424994292 /nfs/dbraw/zinc/99/42/92/1424994292.db2.gz YODOBISOMGJFEF-UHFFFAOYSA-N 0 1 391.523 3.409 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)nn2)CCN1CCOC ZINC000163424547 1424996379 /nfs/dbraw/zinc/99/63/79/1424996379.db2.gz LJXUAJYRTQILCG-SFHVURJKSA-N 0 1 383.496 3.108 20 0 GGADMN CCc1ccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000163435335 1424997990 /nfs/dbraw/zinc/99/79/90/1424997990.db2.gz MHHUCUYEWPEXEP-HXUWFJFHSA-N 0 1 383.467 3.280 20 0 GGADMN CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000163442456 1425000132 /nfs/dbraw/zinc/00/01/32/1425000132.db2.gz LEGQWVWGTXOIJK-KRWDZBQOSA-N 0 1 395.912 3.453 20 0 GGADMN COc1cc(F)c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1F ZINC000163465518 1425003816 /nfs/dbraw/zinc/00/38/16/1425003816.db2.gz KPXWXKRYTRQMGY-LLVKDONJSA-N 0 1 377.395 3.380 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000163483259 1425006548 /nfs/dbraw/zinc/00/65/48/1425006548.db2.gz LFAAINQJSUVPMA-GJZGRUSLSA-N 0 1 390.505 3.167 20 0 GGADMN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000180158139 1429770048 /nfs/dbraw/zinc/77/00/48/1429770048.db2.gz SMZOBNZWIVRDMI-UHFFFAOYSA-N 0 1 398.366 3.009 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(COc2cccc(C[N@H+]3CC[C@@]4(CCOC4)C3)c2)c1 ZINC000826515685 1425014645 /nfs/dbraw/zinc/01/46/45/1425014645.db2.gz HMWNONYEYUZXPY-JOCHJYFZSA-N 0 1 391.475 3.058 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)c2)c1 ZINC000826515685 1425014651 /nfs/dbraw/zinc/01/46/51/1425014651.db2.gz HMWNONYEYUZXPY-JOCHJYFZSA-N 0 1 391.475 3.058 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@H+]3CC[C@@]4(CCOC4)C3)c2)c1 ZINC000826515685 1425014654 /nfs/dbraw/zinc/01/46/54/1425014654.db2.gz HMWNONYEYUZXPY-JOCHJYFZSA-N 0 1 391.475 3.058 20 0 GGADMN C[C@@H](NCC(=O)N[C@H](C)c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000163547094 1425015979 /nfs/dbraw/zinc/01/59/79/1425015979.db2.gz SKSFJDVKEMHHNB-ZIAGYGMSSA-N 0 1 394.924 3.272 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000163570402 1425019253 /nfs/dbraw/zinc/01/92/53/1425019253.db2.gz MMZHXARQVHQVPG-OAHLLOKOSA-N 0 1 385.464 3.281 20 0 GGADMN CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000825459842 1425025132 /nfs/dbraw/zinc/02/51/32/1425025132.db2.gz ORYJXNLTTNKSTJ-QGZVFWFLSA-N 0 1 391.523 3.177 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccccc2OCC(F)F)CCN1CCOC ZINC000163661395 1425030693 /nfs/dbraw/zinc/03/06/93/1425030693.db2.gz MSUMZEZSKPUGMY-OAHLLOKOSA-N 0 1 385.455 3.295 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)[nH]n2)cc1 ZINC000163661422 1425030909 /nfs/dbraw/zinc/03/09/09/1425030909.db2.gz FDWGEBZFKZLJRU-UHFFFAOYSA-N 0 1 376.416 3.247 20 0 GGADMN O=C(CN1C[C@@H]2CCCC[C@]21c1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000163664026 1425031054 /nfs/dbraw/zinc/03/10/54/1425031054.db2.gz ZQWNHCUUGQZTPY-CVDCTZTESA-N 0 1 384.520 3.190 20 0 GGADMN O=C(CN1C[C@H]2CCCC[C@]21c1ccccc1)NCCCN1CCCCCC1=O ZINC000163685485 1425033548 /nfs/dbraw/zinc/03/35/48/1425033548.db2.gz FNHNRCHUGLLJCS-QPPBQGQZSA-N 0 1 397.563 3.297 20 0 GGADMN O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000163688035 1425033842 /nfs/dbraw/zinc/03/38/42/1425033842.db2.gz BRVVVVVFHOGWFK-GOSISDBHSA-N 0 1 383.473 3.253 20 0 GGADMN O=C(CN1C[C@@H]2CCCC[C@@]21c1ccccc1)NCCCN1CCCCCC1=O ZINC000163685844 1425034087 /nfs/dbraw/zinc/03/40/87/1425034087.db2.gz FNHNRCHUGLLJCS-XUZZJYLKSA-N 0 1 397.563 3.297 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2ccc(-n3cncn3)cc2)CC1 ZINC000180159960 1429771426 /nfs/dbraw/zinc/77/14/26/1429771426.db2.gz FXFYSTUOJCYNAC-UHFFFAOYSA-N 0 1 382.899 3.285 20 0 GGADMN COc1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1OC ZINC000163719276 1425037494 /nfs/dbraw/zinc/03/74/94/1425037494.db2.gz SMSYOZFBHCUGBK-MRXNPFEDSA-N 0 1 398.507 3.124 20 0 GGADMN CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cn1 ZINC000163718691 1425037791 /nfs/dbraw/zinc/03/77/91/1425037791.db2.gz NHTUFRRYWPETNM-UHFFFAOYSA-N 0 1 381.436 3.132 20 0 GGADMN C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820571055 1425040851 /nfs/dbraw/zinc/04/08/51/1425040851.db2.gz VAGNDTBIJAZECO-MLGOLLRUSA-N 0 1 380.477 3.203 20 0 GGADMN C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820571055 1425040855 /nfs/dbraw/zinc/04/08/55/1425040855.db2.gz VAGNDTBIJAZECO-MLGOLLRUSA-N 0 1 380.477 3.203 20 0 GGADMN CCCc1[nH]ncc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000163815857 1425047788 /nfs/dbraw/zinc/04/77/88/1425047788.db2.gz XUWQDBYSUPPUSX-UHFFFAOYSA-N 0 1 390.509 3.098 20 0 GGADMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(CC)CC)cc1F ZINC000163840691 1425049595 /nfs/dbraw/zinc/04/95/95/1425049595.db2.gz PMHWAMIQCLPJKG-KRWDZBQOSA-N 0 1 375.444 3.119 20 0 GGADMN CC1(C)C[C@@H]([NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824790446 1425050875 /nfs/dbraw/zinc/05/08/75/1425050875.db2.gz NCSKEXVQKATNAY-IBGZPJMESA-N 0 1 393.491 3.493 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)ncn3C)N2CCCC2)cc1 ZINC000163865947 1425052142 /nfs/dbraw/zinc/05/21/42/1425052142.db2.gz WIEAJCFMSBTHHM-NRFANRHFSA-N 0 1 378.476 3.149 20 0 GGADMN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCCC2(C1)CCCCCC2 ZINC000163871119 1425053185 /nfs/dbraw/zinc/05/31/85/1425053185.db2.gz WOCRALNYOZQRHA-UHFFFAOYSA-N 0 1 393.553 3.017 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000820703606 1425054529 /nfs/dbraw/zinc/05/45/29/1425054529.db2.gz IJFIWDOFXGGDBZ-GFCCVEGCSA-N 0 1 395.964 3.458 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820703606 1425054537 /nfs/dbraw/zinc/05/45/37/1425054537.db2.gz IJFIWDOFXGGDBZ-GFCCVEGCSA-N 0 1 395.964 3.458 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000820703606 1425054542 /nfs/dbraw/zinc/05/45/42/1425054542.db2.gz IJFIWDOFXGGDBZ-GFCCVEGCSA-N 0 1 395.964 3.458 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1 ZINC000163895645 1425055454 /nfs/dbraw/zinc/05/54/54/1425055454.db2.gz KUXNAWWSDKWFDA-HUUCEWRRSA-N 0 1 384.386 3.178 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)n[nH]2)cc1 ZINC000163895645 1425055466 /nfs/dbraw/zinc/05/54/66/1425055466.db2.gz KUXNAWWSDKWFDA-HUUCEWRRSA-N 0 1 384.386 3.178 20 0 GGADMN FC(F)(F)[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826367890 1425055739 /nfs/dbraw/zinc/05/57/39/1425055739.db2.gz SDIKUPQKJNIFMM-JTQLQIEISA-N 0 1 376.180 3.013 20 0 GGADMN FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826367890 1425055744 /nfs/dbraw/zinc/05/57/44/1425055744.db2.gz SDIKUPQKJNIFMM-JTQLQIEISA-N 0 1 376.180 3.013 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555954 1425056511 /nfs/dbraw/zinc/05/65/11/1425056511.db2.gz YUTISZPAJZLDGV-SMDDNHRTSA-N 0 1 388.397 3.214 20 0 GGADMN CN1CCN(c2ccc(NC(=O)[C@@H](O)c3ccccc3)c(C(F)(F)F)c2)CC1 ZINC000163934596 1425059686 /nfs/dbraw/zinc/05/96/86/1425059686.db2.gz CTZGTEYAZBFUEZ-SFHVURJKSA-N 0 1 393.409 3.129 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826192943 1425061078 /nfs/dbraw/zinc/06/10/78/1425061078.db2.gz JJHRZGKIROECRX-NQIIRXRSSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192943 1425061086 /nfs/dbraw/zinc/06/10/86/1425061086.db2.gz JJHRZGKIROECRX-NQIIRXRSSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192943 1425061089 /nfs/dbraw/zinc/06/10/89/1425061089.db2.gz JJHRZGKIROECRX-NQIIRXRSSA-N 0 1 393.491 3.475 20 0 GGADMN COc1cccc(OCCN2CCN(CCC(=O)Nc3ccccc3C)CC2)c1 ZINC000163994187 1425066294 /nfs/dbraw/zinc/06/62/94/1425066294.db2.gz ZHOJAKXYCUTBJU-UHFFFAOYSA-N 0 1 397.519 3.029 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC[C@](C)(O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000163996893 1425066518 /nfs/dbraw/zinc/06/65/18/1425066518.db2.gz QQMYNWRDBVDRMY-BJZITVGISA-N 0 1 383.895 3.028 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000163997009 1425066680 /nfs/dbraw/zinc/06/66/80/1425066680.db2.gz QQMYNWRDBVDRMY-LSBZLQRGSA-N 0 1 383.895 3.028 20 0 GGADMN Cc1cc(Oc2ccc(NS(=O)(=O)c3cnc4onc(C)c4c3)cc2)n[nH]1 ZINC000164038739 1425070230 /nfs/dbraw/zinc/07/02/30/1425070230.db2.gz PYROQSMWZXBEHN-UHFFFAOYSA-N 0 1 385.405 3.156 20 0 GGADMN Cc1ccnc(N2CCN(C[C@@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000164054380 1425072615 /nfs/dbraw/zinc/07/26/15/1425072615.db2.gz ZSKHRNCIXLJKRY-FXAWDEMLSA-N 0 1 389.927 3.304 20 0 GGADMN C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2)C[C@@H](c2ccsc2)O1 ZINC000164075904 1425074866 /nfs/dbraw/zinc/07/48/66/1425074866.db2.gz OEUDASRFFGGSOH-UZLBHIALSA-N 0 1 385.533 3.278 20 0 GGADMN OCCC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826509650 1425085880 /nfs/dbraw/zinc/08/58/80/1425085880.db2.gz CFDRMUVOKGAGSV-LJQANCHMSA-N 0 1 381.455 3.268 20 0 GGADMN OCCC[N@H+](Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826509650 1425085889 /nfs/dbraw/zinc/08/58/89/1425085889.db2.gz CFDRMUVOKGAGSV-LJQANCHMSA-N 0 1 381.455 3.268 20 0 GGADMN OCCC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCCc2ccccc21 ZINC000826509650 1425085895 /nfs/dbraw/zinc/08/58/95/1425085895.db2.gz CFDRMUVOKGAGSV-LJQANCHMSA-N 0 1 381.455 3.268 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826216246 1425087302 /nfs/dbraw/zinc/08/73/02/1425087302.db2.gz QBPBJFQPQQFPKI-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826216246 1425087314 /nfs/dbraw/zinc/08/73/14/1425087314.db2.gz QBPBJFQPQQFPKI-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826216246 1425087319 /nfs/dbraw/zinc/08/73/19/1425087319.db2.gz QBPBJFQPQQFPKI-GOSISDBHSA-N 0 1 379.464 3.091 20 0 GGADMN N=C1Nc2nc3cc4c(cc3n2C2(CCC(C(F)(F)F)CC2)N1)OCCCO4 ZINC000164322841 1425098852 /nfs/dbraw/zinc/09/88/52/1425098852.db2.gz CRVCMBIVESGQNF-UHFFFAOYSA-N 0 1 395.385 3.152 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000164347119 1425101446 /nfs/dbraw/zinc/10/14/46/1425101446.db2.gz CCVXBPDNJGBHSS-SFHVURJKSA-N 0 1 393.466 3.319 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000164353673 1425102146 /nfs/dbraw/zinc/10/21/46/1425102146.db2.gz AQTWZSYBOWQJKI-IBGZPJMESA-N 0 1 393.466 3.319 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000826182186 1425102668 /nfs/dbraw/zinc/10/26/68/1425102668.db2.gz CHNKYTVZAILMIH-LJQANCHMSA-N 0 1 379.464 3.057 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000824938596 1425115962 /nfs/dbraw/zinc/11/59/62/1425115962.db2.gz VSQICDMAEVZKDN-DLBZAZTESA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824938596 1425115966 /nfs/dbraw/zinc/11/59/66/1425115966.db2.gz VSQICDMAEVZKDN-DLBZAZTESA-N 0 1 395.555 3.231 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000824938596 1425115971 /nfs/dbraw/zinc/11/59/71/1425115971.db2.gz VSQICDMAEVZKDN-DLBZAZTESA-N 0 1 395.555 3.231 20 0 GGADMN O=C(NC(C1CC1)C1CC1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164538921 1425121125 /nfs/dbraw/zinc/12/11/25/1425121125.db2.gz QWHSQNUXXWFCOJ-OAHLLOKOSA-N 0 1 379.386 3.401 20 0 GGADMN O=C(NC(C1CC1)C1CC1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164538804 1425121278 /nfs/dbraw/zinc/12/12/78/1425121278.db2.gz QWHSQNUXXWFCOJ-HNNXBMFYSA-N 0 1 379.386 3.401 20 0 GGADMN COc1cccc2c1OC[C@@H](N[C@@H](C)c1nnn(-c3ccc(F)cc3)c1C)C2 ZINC000164545373 1425121892 /nfs/dbraw/zinc/12/18/92/1425121892.db2.gz XMVKMEVOAGGKLW-GUYCJALGSA-N 0 1 382.439 3.378 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)Nc1cccc(C(C)C)c1 ZINC000164552880 1425123401 /nfs/dbraw/zinc/12/34/01/1425123401.db2.gz KDZOPYSMYFHXRY-UHFFFAOYSA-N 0 1 394.519 3.447 20 0 GGADMN CCc1ccc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1F ZINC000164553274 1425123554 /nfs/dbraw/zinc/12/35/54/1425123554.db2.gz YIHIMWZALLAPNL-UHFFFAOYSA-N 0 1 398.482 3.026 20 0 GGADMN CCCc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000164554901 1425123933 /nfs/dbraw/zinc/12/39/33/1425123933.db2.gz HWJSXSDHGMPNEB-UHFFFAOYSA-N 0 1 394.519 3.277 20 0 GGADMN NC(=O)c1ccc(NC(=O)CCN2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000164573098 1425125470 /nfs/dbraw/zinc/12/54/70/1425125470.db2.gz IMWMBKGKCHCZQM-QFIPXVFZSA-N 0 1 388.471 3.021 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000164639035 1425131782 /nfs/dbraw/zinc/13/17/82/1425131782.db2.gz NOSOYOSETFLMDD-LJQANCHMSA-N 0 1 389.584 3.204 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(C)o1 ZINC000164751585 1425139844 /nfs/dbraw/zinc/13/98/44/1425139844.db2.gz FKBJSJZXAJUGSZ-UHFFFAOYSA-N 0 1 395.824 3.015 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c(C)o1 ZINC000164812378 1425144795 /nfs/dbraw/zinc/14/47/95/1425144795.db2.gz XQVNPNBPRGSBER-UHFFFAOYSA-N 0 1 390.417 3.447 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC[C@H](c3cccc(F)c3)N(C)C)ccc2o1 ZINC000164878896 1425148451 /nfs/dbraw/zinc/14/84/51/1425148451.db2.gz QLZXJBAVLOICQR-QGZVFWFLSA-N 0 1 385.443 3.457 20 0 GGADMN CC(C)CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824243032 1425148750 /nfs/dbraw/zinc/14/87/50/1425148750.db2.gz CVKBZHVNDDUZFA-KRWDZBQOSA-N 0 1 393.557 3.081 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@@]3(CCOC3)C2)CC1 ZINC000164937746 1425152418 /nfs/dbraw/zinc/15/24/18/1425152418.db2.gz HDIYOEAFMISCSG-HXUWFJFHSA-N 0 1 392.931 3.126 20 0 GGADMN CC(C)[C@@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)N1CCOCC1 ZINC000164961951 1425153499 /nfs/dbraw/zinc/15/34/99/1425153499.db2.gz XXBXUXKOMAGZKF-BLLLJJGKSA-N 0 1 390.858 3.475 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3-c3ccccc3)ccc21 ZINC000164996622 1425155605 /nfs/dbraw/zinc/15/56/05/1425155605.db2.gz UJWFJIKJFSQDHB-UHFFFAOYSA-N 0 1 393.468 3.458 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823674492 1425156083 /nfs/dbraw/zinc/15/60/83/1425156083.db2.gz QURNBXKANAYZHX-PZJWPPBQSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674492 1425156088 /nfs/dbraw/zinc/15/60/88/1425156088.db2.gz QURNBXKANAYZHX-PZJWPPBQSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@H](C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823674492 1425156096 /nfs/dbraw/zinc/15/60/96/1425156096.db2.gz QURNBXKANAYZHX-PZJWPPBQSA-N 0 1 393.491 3.224 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](CCO)C(C)(C)C)CCN2C2CC2)c1 ZINC000165049533 1425158831 /nfs/dbraw/zinc/15/88/31/1425158831.db2.gz JZXNRMNDUBJUBJ-HSALFYBXSA-N 0 1 389.540 3.069 20 0 GGADMN C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736302235 1425159073 /nfs/dbraw/zinc/15/90/73/1425159073.db2.gz FUJAXBMMYSOXCC-CYBMUJFWSA-N 0 1 396.882 3.468 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821094685 1425163295 /nfs/dbraw/zinc/16/32/95/1425163295.db2.gz OJEDSDSHKHUGQK-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCC[N@H+](CC)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821094685 1425163299 /nfs/dbraw/zinc/16/32/99/1425163299.db2.gz OJEDSDSHKHUGQK-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821094685 1425163303 /nfs/dbraw/zinc/16/33/03/1425163303.db2.gz OJEDSDSHKHUGQK-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CN(C)c1nc2cc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc2o1 ZINC000165331935 1425175582 /nfs/dbraw/zinc/17/55/82/1425175582.db2.gz FGOIWHZNIMMGBU-INIZCTEOSA-N 0 1 383.452 3.445 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000165436417 1425178174 /nfs/dbraw/zinc/17/81/74/1425178174.db2.gz NSIAXIQSCVQTDJ-RYUDHWBXSA-N 0 1 379.457 3.132 20 0 GGADMN CC(C)(O)CN1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000165406542 1425178402 /nfs/dbraw/zinc/17/84/02/1425178402.db2.gz RLKYCEROTXJTIJ-UHFFFAOYSA-N 0 1 383.414 3.249 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000165436775 1425178620 /nfs/dbraw/zinc/17/86/20/1425178620.db2.gz NSIAXIQSCVQTDJ-VXGBXAGGSA-N 0 1 379.457 3.132 20 0 GGADMN CC(C)[C@H]([NH2+]CCOc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC000824201028 1425195601 /nfs/dbraw/zinc/19/56/01/1425195601.db2.gz WVXYAFZWNRXZAD-FQEVSTJZSA-N 0 1 395.463 3.004 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(Br)nc1)c1cccc(F)c1 ZINC000165829595 1425198109 /nfs/dbraw/zinc/19/81/09/1425198109.db2.gz YWHMUCYKKNHLCU-CQSZACIVSA-N 0 1 381.249 3.408 20 0 GGADMN COc1cccc(-c2cc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)[nH]n2)c1 ZINC000165960989 1425203108 /nfs/dbraw/zinc/20/31/08/1425203108.db2.gz BDWUYWQSNOGHBI-UHFFFAOYSA-N 0 1 379.395 3.073 20 0 GGADMN COc1ccc(-c2cc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)[nH]n2)cc1 ZINC000165964658 1425204108 /nfs/dbraw/zinc/20/41/08/1425204108.db2.gz ZHADLHYGOHOQQR-UHFFFAOYSA-N 0 1 379.395 3.073 20 0 GGADMN Cc1c(Cl)cnc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1-c1nn[n-]n1 ZINC000826239116 1425206197 /nfs/dbraw/zinc/20/61/97/1425206197.db2.gz YCYAOAQWVPLCDK-ZDUSSCGKSA-N 0 1 398.902 3.256 20 0 GGADMN CN(CC(=O)N(CCc1ccccn1)Cc1ccc(F)cc1)[C@@H]1CCSC1 ZINC000166185463 1425208183 /nfs/dbraw/zinc/20/81/83/1425208183.db2.gz FBLMCDPOKHFCKR-HXUWFJFHSA-N 0 1 387.524 3.229 20 0 GGADMN CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736569920 1425209208 /nfs/dbraw/zinc/20/92/08/1425209208.db2.gz KCPDBKKKYYXOMT-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736569920 1425209211 /nfs/dbraw/zinc/20/92/11/1425209211.db2.gz KCPDBKKKYYXOMT-LJQANCHMSA-N 0 1 392.463 3.472 20 0 GGADMN O=C(c1cccc(CNCc2cccc(Br)c2)c1)N1CCOCC1 ZINC000166284032 1425210211 /nfs/dbraw/zinc/21/02/11/1425210211.db2.gz LJGVKXSXELVGDC-UHFFFAOYSA-N 0 1 389.293 3.211 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000166350321 1425211746 /nfs/dbraw/zinc/21/17/46/1425211746.db2.gz VDTHTQQUMTULIF-DENIHFKCSA-N 0 1 386.584 3.162 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Br)nc1 ZINC000166431678 1425212891 /nfs/dbraw/zinc/21/28/91/1425212891.db2.gz DYOUFAXDNATVCQ-ZDUSSCGKSA-N 0 1 379.258 3.396 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000826192879 1425212929 /nfs/dbraw/zinc/21/29/29/1425212929.db2.gz GQSFEDBPSWAGEA-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166585194 1425214612 /nfs/dbraw/zinc/21/46/12/1425214612.db2.gz LIOMGSZJPPVFOH-JHVJFLLYSA-N 0 1 388.533 3.026 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2c3ccccc3C[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000166613927 1425215561 /nfs/dbraw/zinc/21/55/61/1425215561.db2.gz CHBGZCXQSICLPX-PSZVPEGOSA-N 0 1 397.443 3.000 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000821614614 1425219225 /nfs/dbraw/zinc/21/92/25/1425219225.db2.gz NJCGLWBUTXODFW-GOSISDBHSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821614614 1425219230 /nfs/dbraw/zinc/21/92/30/1425219230.db2.gz NJCGLWBUTXODFW-GOSISDBHSA-N 0 1 385.475 3.126 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821614614 1425219233 /nfs/dbraw/zinc/21/92/33/1425219233.db2.gz NJCGLWBUTXODFW-GOSISDBHSA-N 0 1 385.475 3.126 20 0 GGADMN CCc1noc(CC)c1CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000166935276 1425219407 /nfs/dbraw/zinc/21/94/07/1425219407.db2.gz SRRGQBQJCRZSNT-ZDUSSCGKSA-N 0 1 375.469 3.324 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(Br)nc1)c1ccc(F)cc1 ZINC000166960069 1425220117 /nfs/dbraw/zinc/22/01/17/1425220117.db2.gz SHYIXHKVZOZSOT-AWEZNQCLSA-N 0 1 381.249 3.408 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000167008122 1425220518 /nfs/dbraw/zinc/22/05/18/1425220518.db2.gz TZVBTOONGSXYBG-UZLBHIALSA-N 0 1 383.923 3.305 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNc2ccnc(Cc3ccccc3)n2)CC1 ZINC000167044755 1425221336 /nfs/dbraw/zinc/22/13/36/1425221336.db2.gz JEYNZUOJYFLVHF-UHFFFAOYSA-N 0 1 395.551 3.106 20 0 GGADMN CCn1cc([C@@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cn1 ZINC000167387213 1425225711 /nfs/dbraw/zinc/22/57/11/1425225711.db2.gz IFBDIWXSPGWVEV-MRXNPFEDSA-N 0 1 378.480 3.471 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2NCc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167445652 1425226562 /nfs/dbraw/zinc/22/65/62/1425226562.db2.gz UAGHFUCMALSZJN-FQEVSTJZSA-N 0 1 390.491 3.304 20 0 GGADMN C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cnn(C)c1 ZINC000167892611 1425233136 /nfs/dbraw/zinc/23/31/36/1425233136.db2.gz DSJRPHSNIFEHHV-INIZCTEOSA-N 0 1 395.507 3.026 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2c1 ZINC000826263835 1425233948 /nfs/dbraw/zinc/23/39/48/1425233948.db2.gz SEWHMJWQHTUKDR-QGZVFWFLSA-N 0 1 391.523 3.200 20 0 GGADMN Cc1c([C@H](C)N[C@@H]2CCN(c3ncccc3F)C2)nnn1-c1ccc(F)cc1 ZINC000168184104 1425235563 /nfs/dbraw/zinc/23/55/63/1425235563.db2.gz JOQWXCILOWBUBQ-XJKSGUPXSA-N 0 1 384.434 3.178 20 0 GGADMN Cc1c([C@H](C)N[C@H]2CCN(c3ncccc3F)C2)nnn1-c1ccc(F)cc1 ZINC000168184290 1425235741 /nfs/dbraw/zinc/23/57/41/1425235741.db2.gz JOQWXCILOWBUBQ-BBRMVZONSA-N 0 1 384.434 3.178 20 0 GGADMN Cc1c([C@@H](C)N[C@@H]2CCN(c3ncccc3F)C2)nnn1-c1ccc(F)cc1 ZINC000168184002 1425235926 /nfs/dbraw/zinc/23/59/26/1425235926.db2.gz JOQWXCILOWBUBQ-CZUORRHYSA-N 0 1 384.434 3.178 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2ccc(OC(F)F)c(F)c2)C1=O ZINC000168551669 1425237663 /nfs/dbraw/zinc/23/76/63/1425237663.db2.gz VWOCMAJAXGQFEF-AWEZNQCLSA-N 0 1 380.366 3.331 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)C12CCCCC2 ZINC000825582624 1425240537 /nfs/dbraw/zinc/24/05/37/1425240537.db2.gz MDTKEPGJUPGOJC-MSOLQXFVSA-N 0 1 395.511 3.074 20 0 GGADMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582624 1425240542 /nfs/dbraw/zinc/24/05/42/1425240542.db2.gz MDTKEPGJUPGOJC-MSOLQXFVSA-N 0 1 395.511 3.074 20 0 GGADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)C12CCCCC2 ZINC000825582624 1425240547 /nfs/dbraw/zinc/24/05/47/1425240547.db2.gz MDTKEPGJUPGOJC-MSOLQXFVSA-N 0 1 395.511 3.074 20 0 GGADMN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)OC(C)(C)C ZINC000824569196 1425249946 /nfs/dbraw/zinc/24/99/46/1425249946.db2.gz GIFOYJSFJJGSPU-MLGOLLRUSA-N 0 1 392.479 3.206 20 0 GGADMN CCc1nnc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(-c2nnn[n-]2)c1CC ZINC000821528719 1425254131 /nfs/dbraw/zinc/25/41/31/1425254131.db2.gz QPMUYQFWHIPQLC-GDBMZVCRSA-N 0 1 392.511 3.029 20 0 GGADMN CCc1nnc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821528719 1425254136 /nfs/dbraw/zinc/25/41/36/1425254136.db2.gz QPMUYQFWHIPQLC-GDBMZVCRSA-N 0 1 392.511 3.029 20 0 GGADMN CCc1nnc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821528719 1425254144 /nfs/dbraw/zinc/25/41/44/1425254144.db2.gz QPMUYQFWHIPQLC-GDBMZVCRSA-N 0 1 392.511 3.029 20 0 GGADMN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826146229 1425259920 /nfs/dbraw/zinc/25/99/20/1425259920.db2.gz SDKKKBURXSGHEF-PZJWPPBQSA-N 0 1 393.491 3.350 20 0 GGADMN CN1CC[NH+](Cc2ccc(NC(=O)CCCC(=O)c3ccccc3)cc2)CC1 ZINC000170504457 1425263784 /nfs/dbraw/zinc/26/37/84/1425263784.db2.gz RZJVVPAIEBWECF-UHFFFAOYSA-N 0 1 379.504 3.426 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)CCCC(=O)c3ccccc3)cc2)CC1 ZINC000170504457 1425263789 /nfs/dbraw/zinc/26/37/89/1425263789.db2.gz RZJVVPAIEBWECF-UHFFFAOYSA-N 0 1 379.504 3.426 20 0 GGADMN C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821625304 1425265797 /nfs/dbraw/zinc/26/57/97/1425265797.db2.gz KRMGXTOQXJUBPJ-MRXNPFEDSA-N 0 1 396.426 3.221 20 0 GGADMN C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821625304 1425265802 /nfs/dbraw/zinc/26/58/02/1425265802.db2.gz KRMGXTOQXJUBPJ-MRXNPFEDSA-N 0 1 396.426 3.221 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc2scnc2c1 ZINC000170633164 1425267939 /nfs/dbraw/zinc/26/79/39/1425267939.db2.gz WPWXAKZLIUMBGM-UHFFFAOYSA-N 0 1 382.470 3.324 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)N2CCCC2)o1 ZINC000170633785 1425268056 /nfs/dbraw/zinc/26/80/56/1425268056.db2.gz UTDYRNIQYXKZIP-WOJBJXKFSA-N 0 1 395.503 3.146 20 0 GGADMN CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825782605 1425270144 /nfs/dbraw/zinc/27/01/44/1425270144.db2.gz IURDVZRPOMFZCS-AWEZNQCLSA-N 0 1 388.479 3.304 20 0 GGADMN COC[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000821683891 1425270914 /nfs/dbraw/zinc/27/09/14/1425270914.db2.gz MSFAEESSGNXHPN-FQEVSTJZSA-N 0 1 381.480 3.206 20 0 GGADMN O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000170643245 1425272265 /nfs/dbraw/zinc/27/22/65/1425272265.db2.gz FBCKMPLAYXDWAI-UHFFFAOYSA-N 0 1 378.451 3.360 20 0 GGADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000170647657 1425273907 /nfs/dbraw/zinc/27/39/07/1425273907.db2.gz QOEILZZMGGZBJW-IAGOWNOFSA-N 0 1 375.513 3.477 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647669 1425274376 /nfs/dbraw/zinc/27/43/76/1425274376.db2.gz LNPLELQVPMBXQP-OKZBNKHCSA-N 0 1 389.540 3.407 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000170647709 1425274609 /nfs/dbraw/zinc/27/46/09/1425274609.db2.gz TUSJPZLRKHAYDF-IAGOWNOFSA-N 0 1 375.513 3.477 20 0 GGADMN CC(C)[C@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170647828 1425275602 /nfs/dbraw/zinc/27/56/02/1425275602.db2.gz FEYZIJQJLHAGDR-XLIONFOSSA-N 0 1 389.540 3.347 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648020 1425275839 /nfs/dbraw/zinc/27/58/39/1425275839.db2.gz KVOUHAOMNURPMS-LJQANCHMSA-N 0 1 389.540 3.270 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C)CCc1ccncc1)N1CCCC1 ZINC000170674443 1425291295 /nfs/dbraw/zinc/29/12/95/1425291295.db2.gz UUYAEJSJTSGNSY-FQEVSTJZSA-N 0 1 382.508 3.111 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)CCc3ccncc3)cc2)C[C@H](C)O1 ZINC000170679283 1425293984 /nfs/dbraw/zinc/29/39/84/1425293984.db2.gz LDCQFMZFLNOPJL-KDURUIRLSA-N 0 1 396.535 3.075 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000170687949 1425300235 /nfs/dbraw/zinc/30/02/35/1425300235.db2.gz ANGSDQSWJJGJAJ-KRWDZBQOSA-N 0 1 391.443 3.168 20 0 GGADMN O=C(CN1CC[C@H](Nc2ccccc2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000170688974 1425300595 /nfs/dbraw/zinc/30/05/95/1425300595.db2.gz MIXPGMWLFBXDCS-SFHVURJKSA-N 0 1 389.446 3.133 20 0 GGADMN Cc1cc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)ccc1N1CCCC1 ZINC000170689581 1425300673 /nfs/dbraw/zinc/30/06/73/1425300673.db2.gz MPBAFUVFYRWXAL-UHFFFAOYSA-N 0 1 391.475 3.230 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000170689806 1425301678 /nfs/dbraw/zinc/30/16/78/1425301678.db2.gz GNGYHJYWLSIFSM-MRXNPFEDSA-N 0 1 382.489 3.280 20 0 GGADMN C[C@@H](Cc1ccsc1)[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824465424 1425306054 /nfs/dbraw/zinc/30/60/54/1425306054.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@@H](Cc1ccsc1)[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465424 1425306061 /nfs/dbraw/zinc/30/60/61/1425306061.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@@H](Cc1ccsc1)[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465424 1425306065 /nfs/dbraw/zinc/30/60/65/1425306065.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@@H](Cc1ccsc1)N1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465424 1425306072 /nfs/dbraw/zinc/30/60/72/1425306072.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@@H](Cc1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824465424 1425306080 /nfs/dbraw/zinc/30/60/80/1425306080.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@@H](Cc1ccsc1)N1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824465424 1425306089 /nfs/dbraw/zinc/30/60/89/1425306089.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN C[C@@H](Cc1ccsc1)N1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824465424 1425306094 /nfs/dbraw/zinc/30/60/94/1425306094.db2.gz OSWWESVLOQGMHZ-INIZCTEOSA-N 0 1 382.537 3.067 20 0 GGADMN CO[C@@H](C)c1cccc(NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000170701230 1425306740 /nfs/dbraw/zinc/30/67/40/1425306740.db2.gz BOMRGMMZLNLATN-SFHVURJKSA-N 0 1 395.503 3.067 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCNc1ccccc1 ZINC000170706639 1425310255 /nfs/dbraw/zinc/31/02/55/1425310255.db2.gz BEEIDUJRFGTODS-UHFFFAOYSA-N 0 1 381.524 3.371 20 0 GGADMN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000170710678 1425311879 /nfs/dbraw/zinc/31/18/79/1425311879.db2.gz MNSFOMKODDCCKM-HOTGVXAUSA-N 0 1 379.501 3.226 20 0 GGADMN CN(C)[C@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1cccs1 ZINC000170710728 1425312280 /nfs/dbraw/zinc/31/22/80/1425312280.db2.gz HYDJWFIPZNKICF-CQSZACIVSA-N 0 1 381.542 3.305 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)nc2)N2CCCC2)cc1 ZINC000170721297 1425316442 /nfs/dbraw/zinc/31/64/42/1425316442.db2.gz YYTUAUZBLVPTPE-NRFANRHFSA-N 0 1 394.519 3.257 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432617 1425318496 /nfs/dbraw/zinc/31/84/96/1425318496.db2.gz QZODROUWVCQZJD-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000821871752 1425319291 /nfs/dbraw/zinc/31/92/91/1425319291.db2.gz DCILIWMAQPDSDD-CRAIPNDOSA-N 0 1 378.480 3.195 20 0 GGADMN OC1CC[NH+](Cc2ccc(CNc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2)CC1 ZINC000738388515 1425319566 /nfs/dbraw/zinc/31/95/66/1425319566.db2.gz GGZBAZNHRBJCGH-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000170730790 1425321500 /nfs/dbraw/zinc/32/15/00/1425321500.db2.gz ATPNRQFHTVDACE-HOTGVXAUSA-N 0 1 379.501 3.144 20 0 GGADMN NC(=O)CC[C@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000170732477 1425321604 /nfs/dbraw/zinc/32/16/04/1425321604.db2.gz ZYIVQTVVNIYUNA-JPYJTQIMSA-N 0 1 385.552 3.402 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@@H](CCC(N)=O)C3)CC2)cc1 ZINC000170734528 1425322273 /nfs/dbraw/zinc/32/22/73/1425322273.db2.gz LOEVVACFQLZYEV-QFIPXVFZSA-N 0 1 399.579 3.144 20 0 GGADMN NC(=O)CC[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000170735167 1425322626 /nfs/dbraw/zinc/32/26/26/1425322626.db2.gz DXDDKGUHHFYPGP-HXUWFJFHSA-N 0 1 379.504 3.197 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000170735169 1425323148 /nfs/dbraw/zinc/32/31/48/1425323148.db2.gz DXDDKGUHHFYPGP-FQEVSTJZSA-N 0 1 379.504 3.197 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736828698 1425326309 /nfs/dbraw/zinc/32/63/09/1425326309.db2.gz QOXFSARRSFZJJI-UHFFFAOYSA-N 0 1 380.471 3.354 20 0 GGADMN C[N@@H+](Cc1ccccc1)CC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736828698 1425326315 /nfs/dbraw/zinc/32/63/15/1425326315.db2.gz QOXFSARRSFZJJI-UHFFFAOYSA-N 0 1 380.471 3.354 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736828698 1425326322 /nfs/dbraw/zinc/32/63/22/1425326322.db2.gz QOXFSARRSFZJJI-UHFFFAOYSA-N 0 1 380.471 3.354 20 0 GGADMN CC(C)(CNC(=O)CSC[C@H]1CCCCO1)N1CCc2ccccc2C1 ZINC000170753751 1425328241 /nfs/dbraw/zinc/32/82/41/1425328241.db2.gz CFBGQJHIFXKZIV-LJQANCHMSA-N 0 1 376.566 3.242 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000826029414 1425329401 /nfs/dbraw/zinc/32/94/01/1425329401.db2.gz RYVGIPDZZOYUPI-MSOLQXFVSA-N 0 1 386.862 3.194 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)c(C)o1 ZINC000170775677 1425336736 /nfs/dbraw/zinc/33/67/36/1425336736.db2.gz NBBGIPCVDJXJBJ-IBGZPJMESA-N 0 1 378.419 3.102 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000170777096 1425338746 /nfs/dbraw/zinc/33/87/46/1425338746.db2.gz JTGIRUORWDKOGF-LPHOPBHVSA-N 0 1 389.540 3.270 20 0 GGADMN COC(=O)c1coc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000170779716 1425339026 /nfs/dbraw/zinc/33/90/26/1425339026.db2.gz KUGUMPCSASHABQ-INIZCTEOSA-N 0 1 385.464 3.408 20 0 GGADMN c1ccc(-c2noc(C3CCN(Cc4ccc5c(c4)OCCO5)CC3)n2)nc1 ZINC000170779613 1425339639 /nfs/dbraw/zinc/33/96/39/1425339639.db2.gz YGMJEFYSNKRDKJ-UHFFFAOYSA-N 0 1 378.432 3.282 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)N3CCC[C@H](C)C3)C2)cc1 ZINC000170779893 1425340368 /nfs/dbraw/zinc/34/03/68/1425340368.db2.gz BWBJEHVORMVWMY-OALUTQOASA-N 0 1 386.540 3.087 20 0 GGADMN Cc1csc(=O)n1CCN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000170779727 1425340571 /nfs/dbraw/zinc/34/05/71/1425340571.db2.gz NNIWHRVOSKXSNT-KRWDZBQOSA-N 0 1 388.537 3.060 20 0 GGADMN Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000737523876 1425344344 /nfs/dbraw/zinc/34/43/44/1425344344.db2.gz UXDTYLDHPSZJBQ-UHFFFAOYSA-N 0 1 393.882 3.363 20 0 GGADMN COc1cc(OC)c(OC)cc1CNC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000170790977 1425344358 /nfs/dbraw/zinc/34/43/58/1425344358.db2.gz ZNHXGKATLHLNDO-GOSISDBHSA-N 0 1 385.382 3.252 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)CCC(=O)NC)ccc21 ZINC000170792103 1425345042 /nfs/dbraw/zinc/34/50/42/1425345042.db2.gz SAYBUPVXUKNOON-OAHLLOKOSA-N 0 1 380.492 3.209 20 0 GGADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCC(Oc2ccccc2)CC1 ZINC000170802236 1425348985 /nfs/dbraw/zinc/34/89/85/1425348985.db2.gz GHMRXOASRKKQDM-QHCPKHFHSA-N 0 1 394.515 3.254 20 0 GGADMN O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738391609 1425354736 /nfs/dbraw/zinc/35/47/36/1425354736.db2.gz YLEGMNRZPAZSSR-TZIWHRDSSA-N 0 1 393.491 3.086 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000170830167 1425358505 /nfs/dbraw/zinc/35/85/05/1425358505.db2.gz ZUPATUNUFFPFKF-UHFFFAOYSA-N 0 1 386.887 3.438 20 0 GGADMN c1ccc2oc(C[NH+]3CCC(Oc4cccc(-c5nnn[n-]5)c4)CC3)nc2c1 ZINC000738420147 1425358924 /nfs/dbraw/zinc/35/89/24/1425358924.db2.gz WPFOCZJYMGEEIT-UHFFFAOYSA-N 0 1 376.420 3.051 20 0 GGADMN CC(C)[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1nc(C2CC2)no1 ZINC000170841030 1425364010 /nfs/dbraw/zinc/36/40/10/1425364010.db2.gz HCTLRTYZGSKQPI-GOSISDBHSA-N 0 1 398.511 3.003 20 0 GGADMN CC(C)[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1nc(C2CC2)no1 ZINC000170841028 1425364358 /nfs/dbraw/zinc/36/43/58/1425364358.db2.gz HCTLRTYZGSKQPI-SFHVURJKSA-N 0 1 398.511 3.003 20 0 GGADMN CCc1c(NC(=O)c2ccc(S(=O)(=O)CC)cc2)[nH]nc1-c1ccncc1 ZINC000170851589 1425369619 /nfs/dbraw/zinc/36/96/19/1425369619.db2.gz YDBADSQZVZXXEY-UHFFFAOYSA-N 0 1 384.461 3.080 20 0 GGADMN Fc1c(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cccc1-c1nnn[n-]1 ZINC000826371144 1425372186 /nfs/dbraw/zinc/37/21/86/1425372186.db2.gz VFEHUNJAOSELBY-GFCCVEGCSA-N 0 1 395.364 3.058 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F)c1ccco1 ZINC000826501778 1425376336 /nfs/dbraw/zinc/37/63/36/1425376336.db2.gz GWHPLNJRZMEXOK-WBVHZDCISA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501778 1425376340 /nfs/dbraw/zinc/37/63/40/1425376340.db2.gz GWHPLNJRZMEXOK-WBVHZDCISA-N 0 1 385.443 3.467 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501778 1425376348 /nfs/dbraw/zinc/37/63/48/1425376348.db2.gz GWHPLNJRZMEXOK-WBVHZDCISA-N 0 1 385.443 3.467 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1F ZINC000170876139 1425377670 /nfs/dbraw/zinc/37/76/70/1425377670.db2.gz NLNLUMPSNSKOGG-SFHVURJKSA-N 0 1 377.435 3.118 20 0 GGADMN COc1ccc(CCNC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1F ZINC000170876029 1425377880 /nfs/dbraw/zinc/37/78/80/1425377880.db2.gz GXKDGSXOJRVPMA-GOSISDBHSA-N 0 1 389.471 3.415 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(Cc2cccnc2)C2CC2)N(C)C)cc1OC ZINC000170882445 1425380419 /nfs/dbraw/zinc/38/04/19/1425380419.db2.gz OSTTZQILUHPVLD-IBGZPJMESA-N 0 1 398.507 3.076 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000822204707 1425390481 /nfs/dbraw/zinc/39/04/81/1425390481.db2.gz YEQVGVIGLZHGJB-MRXNPFEDSA-N 0 1 395.486 3.317 20 0 GGADMN CN(C[C@@H]1CCN(CC(=O)N(C2CC2)C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000170919397 1425392442 /nfs/dbraw/zinc/39/24/42/1425392442.db2.gz BNYKILRYFQTRFK-INIZCTEOSA-N 0 1 379.545 3.109 20 0 GGADMN CC(=O)c1ccccc1OCCN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918792 1425392568 /nfs/dbraw/zinc/39/25/68/1425392568.db2.gz AAQLDRDFOXVGOU-KRWDZBQOSA-N 0 1 376.497 3.457 20 0 GGADMN CC(=O)c1ccccc1OCCN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918789 1425392687 /nfs/dbraw/zinc/39/26/87/1425392687.db2.gz AAQLDRDFOXVGOU-QGZVFWFLSA-N 0 1 376.497 3.457 20 0 GGADMN Fc1ccc(CN2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)c(Cl)c1 ZINC000822765903 1425393452 /nfs/dbraw/zinc/39/34/52/1425393452.db2.gz AEJNBTZJQMJVOJ-CQSZACIVSA-N 0 1 390.850 3.006 20 0 GGADMN CC[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000820926377 1425394432 /nfs/dbraw/zinc/39/44/32/1425394432.db2.gz SHXYDZYAYVAWGZ-OAHLLOKOSA-N 0 1 386.481 3.006 20 0 GGADMN Fc1ccc(C2([NH2+]C3CCN(Cc4ccc(-c5nnn[n-]5)cc4)CC3)CC2)cc1 ZINC000826374047 1425399427 /nfs/dbraw/zinc/39/94/27/1425399427.db2.gz JNLBXXZTXCGIKQ-UHFFFAOYSA-N 0 1 392.482 3.249 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000170953291 1425414122 /nfs/dbraw/zinc/41/41/22/1425414122.db2.gz IHVNPSDWJRWCQA-CYBMUJFWSA-N 0 1 392.956 3.138 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCc3ccccc3[C@H]2C)CC1 ZINC000170955664 1425414920 /nfs/dbraw/zinc/41/49/20/1425414920.db2.gz MHZHEAIQLSAHNB-GOSISDBHSA-N 0 1 385.552 3.007 20 0 GGADMN c1ccc(N[C@@H]2CCCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826522038 1425418053 /nfs/dbraw/zinc/41/80/53/1425418053.db2.gz JIQAMXJBFWYEGM-QGZVFWFLSA-N 0 1 375.480 3.221 20 0 GGADMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)Nc1ccnn1C1CCCC1 ZINC000170971040 1425421594 /nfs/dbraw/zinc/42/15/94/1425421594.db2.gz OLDPNBOYHUAHPN-UHFFFAOYSA-N 0 1 386.471 3.371 20 0 GGADMN O=c1cc(CNC2(c3ccc(F)cc3)CCOCC2)nc2ccc(Cl)cn12 ZINC000170971805 1425422557 /nfs/dbraw/zinc/42/25/57/1425422557.db2.gz QNLZNHXZVJAGMW-UHFFFAOYSA-N 0 1 387.842 3.283 20 0 GGADMN COc1cccc(CN(C)C(=O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000170985649 1425424727 /nfs/dbraw/zinc/42/47/27/1425424727.db2.gz HUEXLIPVJUCRSB-UHFFFAOYSA-N 0 1 385.483 3.369 20 0 GGADMN Cc1ncccc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000170990659 1425425373 /nfs/dbraw/zinc/42/53/73/1425425373.db2.gz DMESHIFJSDPIFI-UHFFFAOYSA-N 0 1 387.487 3.360 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@H](C)c2cccnc2)CC1 ZINC000171004556 1425432249 /nfs/dbraw/zinc/43/22/49/1425432249.db2.gz QBZYDHWZXGECFS-IAGOWNOFSA-N 0 1 399.514 3.484 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccn1 ZINC000171003305 1425432270 /nfs/dbraw/zinc/43/22/70/1425432270.db2.gz OBFYKVADVZGEFG-JKSUJKDBSA-N 0 1 385.487 3.094 20 0 GGADMN C[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccn1 ZINC000171003304 1425432388 /nfs/dbraw/zinc/43/23/88/1425432388.db2.gz OBFYKVADVZGEFG-HOTGVXAUSA-N 0 1 385.487 3.094 20 0 GGADMN Cc1ccccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826306107 1425440863 /nfs/dbraw/zinc/44/08/63/1425440863.db2.gz QHMYUXXKFUFYHU-KRWDZBQOSA-N 0 1 376.508 3.490 20 0 GGADMN Cc1oc(-c2ccsc2)nc1CC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000171022357 1425441956 /nfs/dbraw/zinc/44/19/56/1425441956.db2.gz GEEOHKKYOIUJKC-UHFFFAOYSA-N 0 1 396.516 3.430 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000171030360 1425447343 /nfs/dbraw/zinc/44/73/43/1425447343.db2.gz LZQDQJGNKVYWII-JOCHJYFZSA-N 0 1 393.531 3.052 20 0 GGADMN C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820571236 1425459627 /nfs/dbraw/zinc/45/96/27/1425459627.db2.gz WJUKFWSBSQLJSE-OAHLLOKOSA-N 0 1 395.511 3.426 20 0 GGADMN C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820571236 1425459629 /nfs/dbraw/zinc/45/96/29/1425459629.db2.gz WJUKFWSBSQLJSE-OAHLLOKOSA-N 0 1 395.511 3.426 20 0 GGADMN C[C@@H]1Oc2ccc(C(=O)C3CCN(C[C@@H](O)c4ccccc4)CC3)cc2NC1=O ZINC000171066032 1425464465 /nfs/dbraw/zinc/46/44/65/1425464465.db2.gz XQZRENLGSRQCJV-MGPUTAFESA-N 0 1 394.471 3.034 20 0 GGADMN C[C@H]1Oc2ccc(C(=O)C3CCN(C[C@@H](O)c4ccccc4)CC3)cc2NC1=O ZINC000171066026 1425464548 /nfs/dbraw/zinc/46/45/48/1425464548.db2.gz XQZRENLGSRQCJV-FOIQADDNSA-N 0 1 394.471 3.034 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)c1ccco1 ZINC000171081147 1425472416 /nfs/dbraw/zinc/47/24/16/1425472416.db2.gz RDWGOSBJDMQUJT-SFHVURJKSA-N 0 1 383.496 3.471 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000171094757 1425479941 /nfs/dbraw/zinc/47/99/41/1425479941.db2.gz MKQNBLQGSPOXCZ-TZIWHRDSSA-N 0 1 387.568 3.027 20 0 GGADMN CCN(CC)[C@H](CNS(=O)(=O)c1cccc(COC)c1)c1ccccc1 ZINC000171096654 1425480846 /nfs/dbraw/zinc/48/08/46/1425480846.db2.gz TXUGUJIKKPNDRD-HXUWFJFHSA-N 0 1 376.522 3.194 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)C(C)C)C1 ZINC000171097735 1425481738 /nfs/dbraw/zinc/48/17/38/1425481738.db2.gz XHQSKASDFKUOQH-PZJWPPBQSA-N 0 1 387.568 3.171 20 0 GGADMN Nc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc(Cl)n1 ZINC000171099476 1425482538 /nfs/dbraw/zinc/48/25/38/1425482538.db2.gz KVSOSVWCHRGFNM-UHFFFAOYSA-N 0 1 393.632 3.117 20 0 GGADMN CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825675234 1425482808 /nfs/dbraw/zinc/48/28/08/1425482808.db2.gz ZVSWXJUTGVTWLX-RHSMWYFYSA-N 0 1 399.520 3.069 20 0 GGADMN CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819914550 1425484602 /nfs/dbraw/zinc/48/46/02/1425484602.db2.gz WTIFNSLPVAFXKG-UHFFFAOYSA-N 0 1 391.907 3.106 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCc1ccc(OC)c(F)c1)c1ccco1 ZINC000171106149 1425485963 /nfs/dbraw/zinc/48/59/63/1425485963.db2.gz QQWLDKGNCYIPRW-KRWDZBQOSA-N 0 1 377.460 3.352 20 0 GGADMN COCc1cccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000171107116 1425486123 /nfs/dbraw/zinc/48/61/23/1425486123.db2.gz XHOTYWRJEXLLCS-NRFANRHFSA-N 0 1 388.533 3.257 20 0 GGADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000171108615 1425488147 /nfs/dbraw/zinc/48/81/47/1425488147.db2.gz HVZYTWSYBFIGPZ-AUUYWEPGSA-N 0 1 378.476 3.319 20 0 GGADMN O=C(Nc1nc2c(s1)COCC2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000171111452 1425488618 /nfs/dbraw/zinc/48/86/18/1425488618.db2.gz LPQZTLMRKIHSOV-CQSZACIVSA-N 0 1 375.469 3.206 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000171119624 1425492279 /nfs/dbraw/zinc/49/22/79/1425492279.db2.gz DYOZYDFZKOHFGH-CQSZACIVSA-N 0 1 379.476 3.021 20 0 GGADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H](C2OCCO2)C1 ZINC000171141290 1425504309 /nfs/dbraw/zinc/50/43/09/1425504309.db2.gz JUPCMWPVANMGGA-AWEZNQCLSA-N 0 1 387.307 3.037 20 0 GGADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H](C2OCCO2)C1 ZINC000171144177 1425506231 /nfs/dbraw/zinc/50/62/31/1425506231.db2.gz LWGSWEMBURVMEL-AWEZNQCLSA-N 0 1 387.307 3.037 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)CN3CCC[C@@H](C4OCCO4)C3)c2)cs1 ZINC000171144885 1425507171 /nfs/dbraw/zinc/50/71/71/1425507171.db2.gz WNFKIVVJPHSXPR-MRXNPFEDSA-N 0 1 387.505 3.142 20 0 GGADMN Cc1cccc2c(NCC3([C@@H](O)c4ccccc4)CC3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826305505 1425507385 /nfs/dbraw/zinc/50/73/85/1425507385.db2.gz YWCDFSCVDALWPX-FQEVSTJZSA-N 0 1 386.459 3.071 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139855020 1425508178 /nfs/dbraw/zinc/50/81/78/1425508178.db2.gz RLQXOTUAYXANBO-JQHSSLGASA-N 0 1 383.496 3.342 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(CC(C)(C)O)CC1 ZINC000171154055 1425511834 /nfs/dbraw/zinc/51/18/34/1425511834.db2.gz VRNYRNSPBBULLO-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000171154786 1425512788 /nfs/dbraw/zinc/51/27/88/1425512788.db2.gz MRYHTMBFBYPTQS-OAQYLSRUSA-N 0 1 381.520 3.063 20 0 GGADMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)c(C)c1C ZINC000171156221 1425514044 /nfs/dbraw/zinc/51/40/44/1425514044.db2.gz WVUKYVIXOCPYMU-KRWDZBQOSA-N 0 1 377.510 3.263 20 0 GGADMN COc1ccc([C@H](CNC(=O)CSC[C@H]2CCCCO2)N2CCCC2)cc1 ZINC000171182563 1425529520 /nfs/dbraw/zinc/52/95/20/1425529520.db2.gz HXHRJYWUKXYTQU-UXHICEINSA-N 0 1 392.565 3.251 20 0 GGADMN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000171195385 1425534315 /nfs/dbraw/zinc/53/43/15/1425534315.db2.gz DDOASEWHMZDECW-QFBILLFUSA-N 0 1 382.508 3.368 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(CNC(N)=O)cc4)C3)[nH]c2c1 ZINC000171197203 1425534984 /nfs/dbraw/zinc/53/49/84/1425534984.db2.gz NOCDMIYQGAQAQU-KRWDZBQOSA-N 0 1 391.475 3.059 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)CNC(=O)c4cccs4)C3)[nH]c2c1 ZINC000171196800 1425535075 /nfs/dbraw/zinc/53/50/75/1425535075.db2.gz FXJUFDBZABHAGT-AWEZNQCLSA-N 0 1 382.489 3.069 20 0 GGADMN CC(C)CCOCCNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171203714 1425538613 /nfs/dbraw/zinc/53/86/13/1425538613.db2.gz WLUVHPCWALIRBN-KRWDZBQOSA-N 0 1 394.535 3.000 20 0 GGADMN Cc1nnnn1-c1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1F ZINC000171205692 1425539526 /nfs/dbraw/zinc/53/95/26/1425539526.db2.gz WISIFXJPJGELTO-UHFFFAOYSA-N 0 1 397.801 3.406 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000171219439 1425545660 /nfs/dbraw/zinc/54/56/60/1425545660.db2.gz USMJTPXHEDRRNY-ZDUSSCGKSA-N 0 1 377.382 3.323 20 0 GGADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)N(C)C)cc1 ZINC000171219499 1425545829 /nfs/dbraw/zinc/54/58/29/1425545829.db2.gz WSJAIKRXOYDMPS-IIBYNOLFSA-N 0 1 397.519 3.314 20 0 GGADMN C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000171225949 1425549421 /nfs/dbraw/zinc/54/94/21/1425549421.db2.gz FLGMFMBWACJFSW-KRWDZBQOSA-N 0 1 380.471 3.070 20 0 GGADMN C[C@@H]1CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000824984340 1425549921 /nfs/dbraw/zinc/54/99/21/1425549921.db2.gz ISBZIPUSBJFPHD-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000824984340 1425549927 /nfs/dbraw/zinc/54/99/27/1425549927.db2.gz ISBZIPUSBJFPHD-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC000824984340 1425549934 /nfs/dbraw/zinc/54/99/34/1425549934.db2.gz ISBZIPUSBJFPHD-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)N2CCCC2)o1 ZINC000171227282 1425550606 /nfs/dbraw/zinc/55/06/06/1425550606.db2.gz QRSJTHBSLZXZAF-BEFAXECRSA-N 0 1 396.491 3.280 20 0 GGADMN COC(=O)c1ccc(CN(C)C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000171228386 1425551528 /nfs/dbraw/zinc/55/15/28/1425551528.db2.gz FOEZMUBOTRGIRE-IBGZPJMESA-N 0 1 399.491 3.353 20 0 GGADMN CC(C)c1ccc(CN(C(=O)CN2CCC(C3OCCO3)CC2)C2CC2)cc1 ZINC000171237276 1425559290 /nfs/dbraw/zinc/55/92/90/1425559290.db2.gz NVKADWMLUOSBEO-UHFFFAOYSA-N 0 1 386.536 3.386 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(C2OCCO2)CC1)c1ccc2ccccc2c1 ZINC000171238320 1425560486 /nfs/dbraw/zinc/56/04/86/1425560486.db2.gz SPNWZEKJEATTCO-IRXDYDNUSA-N 0 1 382.504 3.490 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCC(C2OCCO2)CC1)c1ccc2ccccc2c1 ZINC000171238314 1425560895 /nfs/dbraw/zinc/56/08/95/1425560895.db2.gz SPNWZEKJEATTCO-IAGOWNOFSA-N 0 1 382.504 3.490 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000171240091 1425561126 /nfs/dbraw/zinc/56/11/26/1425561126.db2.gz MSWUWOCEGPBLGT-UHFFFAOYSA-N 0 1 382.449 3.075 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)c(C)o1 ZINC000171240448 1425561795 /nfs/dbraw/zinc/56/17/95/1425561795.db2.gz XNJZUJOTDHHUGJ-YQQAZPJKSA-N 0 1 389.540 3.269 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)c(C)o1 ZINC000171240420 1425562211 /nfs/dbraw/zinc/56/22/11/1425562211.db2.gz XNJZUJOTDHHUGJ-UXLLHSPISA-N 0 1 389.540 3.269 20 0 GGADMN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(C)cc1 ZINC000822224919 1425562261 /nfs/dbraw/zinc/56/22/61/1425562261.db2.gz GARIEXTUCXAEMS-GJZGRUSLSA-N 0 1 388.479 3.476 20 0 GGADMN C[C@@H](NC(=O)N1CCn2cccc2[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171241668 1425562362 /nfs/dbraw/zinc/56/23/62/1425562362.db2.gz NQBNIGAFTMSMMH-SJORKVTESA-N 0 1 399.514 3.226 20 0 GGADMN C[C@H](NC(=O)N(C)C(C1CC1)C1CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000171241429 1425562455 /nfs/dbraw/zinc/56/24/55/1425562455.db2.gz OWUVHBKZBQICQD-HNNXBMFYSA-N 0 1 388.531 3.469 20 0 GGADMN C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171250305 1425568919 /nfs/dbraw/zinc/56/89/19/1425568919.db2.gz WXLWYCYEXZFWQU-CALCHBBNSA-N 0 1 393.959 3.413 20 0 GGADMN CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825142388 1425577528 /nfs/dbraw/zinc/57/75/28/1425577528.db2.gz RLUIIYZFLYLVLW-AWEZNQCLSA-N 0 1 390.394 3.034 20 0 GGADMN O=C1CCCc2cc(NS(=O)(=O)c3ccccc3OC(F)F)ccc2N1 ZINC000171267590 1425584326 /nfs/dbraw/zinc/58/43/26/1425584326.db2.gz CAWCTEBIBVHBQW-UHFFFAOYSA-N 0 1 382.388 3.364 20 0 GGADMN O=C(Nc1ccc2scnc2c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000171268767 1425584775 /nfs/dbraw/zinc/58/47/75/1425584775.db2.gz YRLHKQQHKRGZFH-SFHVURJKSA-N 0 1 394.500 3.188 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCO1 ZINC000171268052 1425585375 /nfs/dbraw/zinc/58/53/75/1425585375.db2.gz GLSVFECXMILMDU-QGZVFWFLSA-N 0 1 388.512 3.144 20 0 GGADMN COC[C@@H](C)CNC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000171268113 1425585465 /nfs/dbraw/zinc/58/54/65/1425585465.db2.gz CLWSWJLCMLBIJY-KRWDZBQOSA-N 0 1 390.528 3.295 20 0 GGADMN O=C(Nc1ccc2scnc2c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000171271574 1425586975 /nfs/dbraw/zinc/58/69/75/1425586975.db2.gz BEGSZCKQAURPHQ-QGZVFWFLSA-N 0 1 394.500 3.016 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)c1ccco1 ZINC000171290882 1425596877 /nfs/dbraw/zinc/59/68/77/1425596877.db2.gz MQJJZHSPQQWKMC-HNNXBMFYSA-N 0 1 386.477 3.027 20 0 GGADMN CC[NH+](CC)[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Cc1ccccc1 ZINC000736535501 1425599841 /nfs/dbraw/zinc/59/98/41/1425599841.db2.gz XUYDYIWFWNSNQE-INIZCTEOSA-N 0 1 385.903 3.280 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@@H](c2ccccc2)CC1)N1CCN(C)CC1 ZINC000171300436 1425603386 /nfs/dbraw/zinc/60/33/86/1425603386.db2.gz LHNIMWRGZQLFSB-FGZHOGPDSA-N 0 1 386.584 3.238 20 0 GGADMN Cc1ccccc1[C@H](C)[N@H+]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822345753 1425604099 /nfs/dbraw/zinc/60/40/99/1425604099.db2.gz QPFXPSCYEXGJRW-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN Cc1ccccc1[C@H](C)[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822345753 1425604104 /nfs/dbraw/zinc/60/41/04/1425604104.db2.gz QPFXPSCYEXGJRW-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN Cc1ccccc1[C@H](C)[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822345753 1425604109 /nfs/dbraw/zinc/60/41/09/1425604109.db2.gz QPFXPSCYEXGJRW-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCCO[C@H](C)C1)N1CCCCC1 ZINC000171315302 1425613517 /nfs/dbraw/zinc/61/35/17/1425613517.db2.gz WVSFLUILCFJEST-MJGOQNOKSA-N 0 1 375.513 3.043 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCc2cc(-c3ccccc3)on2)N(C)C)c1 ZINC000171327327 1425619168 /nfs/dbraw/zinc/61/91/68/1425619168.db2.gz NGEWFPVKADGFIR-FQEVSTJZSA-N 0 1 394.475 3.452 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCCc1cnn(C)c1)c1ccccc1Cl ZINC000171327297 1425619427 /nfs/dbraw/zinc/61/94/27/1425619427.db2.gz HYUICUWCSCAHCV-LJQANCHMSA-N 0 1 391.947 3.388 20 0 GGADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@H]1c2ccccc2C[C@H]1O ZINC000171331196 1425621552 /nfs/dbraw/zinc/62/15/52/1425621552.db2.gz BEWJEZXVBSIAOJ-NJYVYQBISA-N 0 1 399.922 3.434 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1cc(-c2ccccc2)on1 ZINC000171331385 1425621637 /nfs/dbraw/zinc/62/16/37/1425621637.db2.gz WPWSKPCATFROJZ-UHFFFAOYSA-N 0 1 376.460 3.199 20 0 GGADMN O=C(C[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737876964 1425622075 /nfs/dbraw/zinc/62/20/75/1425622075.db2.gz LREIHFBSFYNBLE-OAHLLOKOSA-N 0 1 382.493 3.136 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)c1 ZINC000171333012 1425622536 /nfs/dbraw/zinc/62/25/36/1425622536.db2.gz YJKDQYMBKIFUAY-UHFFFAOYSA-N 0 1 384.461 3.296 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000171339179 1425625516 /nfs/dbraw/zinc/62/55/16/1425625516.db2.gz PITRIEZUVJDCRC-GOSISDBHSA-N 0 1 387.461 3.362 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000171339175 1425625767 /nfs/dbraw/zinc/62/57/67/1425625767.db2.gz PITRIEZUVJDCRC-SFHVURJKSA-N 0 1 387.461 3.362 20 0 GGADMN Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1cccc2cnccc21 ZINC000171344005 1425627415 /nfs/dbraw/zinc/62/74/15/1425627415.db2.gz OUVARBUGUILBHH-UHFFFAOYSA-N 0 1 395.444 3.265 20 0 GGADMN Cc1ccc2cccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2n1 ZINC000171345198 1425627946 /nfs/dbraw/zinc/62/79/46/1425627946.db2.gz ZQZWRGPFCZIPMH-UHFFFAOYSA-N 0 1 381.457 3.471 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cccn2)c(Cl)c1)c1cccc2c1OCCO2 ZINC000171344249 1425627988 /nfs/dbraw/zinc/62/79/88/1425627988.db2.gz TWSQKYJEJNABDL-UHFFFAOYSA-N 0 1 391.836 3.098 20 0 GGADMN CCN(C(=O)[C@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000171346593 1425629710 /nfs/dbraw/zinc/62/97/10/1425629710.db2.gz GUIHSYNZYCQRTC-DLBZAZTESA-N 0 1 381.561 3.403 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)n3C)CC2)c1C ZINC000171347639 1425630760 /nfs/dbraw/zinc/63/07/60/1425630760.db2.gz JUHLDPONFWOWMQ-UHFFFAOYSA-N 0 1 384.524 3.091 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CSC[C@H]1CCCCO1)N1CCCC1 ZINC000171351939 1425632215 /nfs/dbraw/zinc/63/22/15/1425632215.db2.gz AIFPSETVLYGZLV-IEBWSBKVSA-N 0 1 392.565 3.251 20 0 GGADMN C[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)NC(=O)C1CCCC1 ZINC000171352286 1425633108 /nfs/dbraw/zinc/63/31/08/1425633108.db2.gz JVWMGBCZXUIUHW-AEFFLSMTSA-N 0 1 375.513 3.008 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)nc2)N(C)C)c1 ZINC000171356938 1425636419 /nfs/dbraw/zinc/63/64/19/1425636419.db2.gz QWIVFJNGQGSYID-NRFANRHFSA-N 0 1 396.535 3.359 20 0 GGADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)CCOc1ccccc1-c1nnn[n-]1)CCC2 ZINC000821510042 1425641103 /nfs/dbraw/zinc/64/11/03/1425641103.db2.gz UDZWDXPXGAGOEW-HNNXBMFYSA-N 0 1 384.509 3.274 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000171362620 1425641325 /nfs/dbraw/zinc/64/13/25/1425641325.db2.gz LHUHEFZIICRUOG-SFHVURJKSA-N 0 1 384.480 3.215 20 0 GGADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C3OCCO3)C2)cc1 ZINC000171375519 1425648133 /nfs/dbraw/zinc/64/81/33/1425648133.db2.gz RRPDEESGHFIEBY-RXVVDRJESA-N 0 1 396.487 3.460 20 0 GGADMN O=C(CN1CCC[C@H](C2OCCO2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000171376163 1425648497 /nfs/dbraw/zinc/64/84/97/1425648497.db2.gz WMALYQQCNHPLCL-FCHUYYIVSA-N 0 1 394.515 3.172 20 0 GGADMN O=C(CSC[C@@H]1CCCCO1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000171385674 1425653945 /nfs/dbraw/zinc/65/39/45/1425653945.db2.gz YVJKMBPWJQJOHI-IBGZPJMESA-N 0 1 380.529 3.209 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)COc1ccc(C=O)cc1)N1CCCCC1 ZINC000171387425 1425655034 /nfs/dbraw/zinc/65/50/34/1425655034.db2.gz BRFLFVTUYVPJIF-NRFANRHFSA-N 0 1 396.487 3.230 20 0 GGADMN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000171388817 1425655635 /nfs/dbraw/zinc/65/56/35/1425655635.db2.gz CQKHILWLNAUMOY-OAHLLOKOSA-N 0 1 392.912 3.160 20 0 GGADMN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000171388811 1425655792 /nfs/dbraw/zinc/65/57/92/1425655792.db2.gz CQKHILWLNAUMOY-HNNXBMFYSA-N 0 1 392.912 3.160 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000171392493 1425657969 /nfs/dbraw/zinc/65/79/69/1425657969.db2.gz NOCMIQAZHGGYPK-UHFFFAOYSA-N 0 1 380.408 3.305 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000171396822 1425661635 /nfs/dbraw/zinc/66/16/35/1425661635.db2.gz CQSUJVWYVFIVDE-UHFFFAOYSA-N 0 1 375.423 3.093 20 0 GGADMN Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822196451 1425662023 /nfs/dbraw/zinc/66/20/23/1425662023.db2.gz KBFGRPWMULINNF-NRFANRHFSA-N 0 1 393.491 3.060 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cnc(-c4ccccn4)s3)c2)CC1 ZINC000171417018 1425669805 /nfs/dbraw/zinc/66/98/05/1425669805.db2.gz LIZROFMPJVDYGN-UHFFFAOYSA-N 0 1 393.516 3.205 20 0 GGADMN COc1ccc(CN(C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1C ZINC000171459474 1425688331 /nfs/dbraw/zinc/68/83/31/1425688331.db2.gz ZHDKVUFRTUJMPV-UHFFFAOYSA-N 0 1 382.508 3.205 20 0 GGADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000821015067 1425693471 /nfs/dbraw/zinc/69/34/71/1425693471.db2.gz NUMSOCNXSKRSJP-KDOFPFPSSA-N 0 1 380.500 3.292 20 0 GGADMN CCN(C)[C@H](C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000171481176 1425700217 /nfs/dbraw/zinc/70/02/17/1425700217.db2.gz ODVCIYGWNIFVJI-AEFFLSMTSA-N 0 1 375.513 3.053 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000171481215 1425700395 /nfs/dbraw/zinc/70/03/95/1425700395.db2.gz YIBNUEFVQDQGJD-GOSISDBHSA-N 0 1 399.564 3.393 20 0 GGADMN O=C(Nc1ccc2c(c1)CCCC(=O)N2)NC1CCN(Cc2ccncc2)CC1 ZINC000171524885 1425717013 /nfs/dbraw/zinc/71/70/13/1425717013.db2.gz XMLCPBQJRMSBJJ-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000171528088 1425718699 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ZINC000171836655 1425832280 /nfs/dbraw/zinc/83/22/80/1425832280.db2.gz KRILQWMMSWHBQL-NZQKXSOJSA-N 0 1 377.532 3.431 20 0 GGADMN CC(=O)Nc1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000824005511 1425836828 /nfs/dbraw/zinc/83/68/28/1425836828.db2.gz VSTFEMOUXSLCDF-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(=O)Nc1ccccc1C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000824005511 1425836836 /nfs/dbraw/zinc/83/68/36/1425836836.db2.gz VSTFEMOUXSLCDF-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN CC(=O)Nc1ccccc1C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000824005511 1425836843 /nfs/dbraw/zinc/83/68/43/1425836843.db2.gz VSTFEMOUXSLCDF-UHFFFAOYSA-N 0 1 378.480 3.483 20 0 GGADMN O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1nnc2ccccc2c1O ZINC000171869384 1425839082 /nfs/dbraw/zinc/83/90/82/1425839082.db2.gz CCFHJTMINRNZBI-SFHVURJKSA-N 0 1 385.427 3.298 20 0 GGADMN COC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000171894689 1425846215 /nfs/dbraw/zinc/84/62/15/1425846215.db2.gz FOVMTUCGIMQQFI-MRXNPFEDSA-N 0 1 375.400 3.164 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C[C@H](C)O1 ZINC000171896750 1425846823 /nfs/dbraw/zinc/84/68/23/1425846823.db2.gz ZEFMYFMXXQSROV-HQRMLTQVSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](c3ccccc3)C3CC3)n2)cc1 ZINC000171899671 1425847374 /nfs/dbraw/zinc/84/73/74/1425847374.db2.gz DYPGQTHFHAFVJX-LJQANCHMSA-N 0 1 377.448 3.431 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](c3ccccc3)C3CC3)n[nH]2)cc1 ZINC000171899671 1425847378 /nfs/dbraw/zinc/84/73/78/1425847378.db2.gz DYPGQTHFHAFVJX-LJQANCHMSA-N 0 1 377.448 3.431 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)Cc3ccccc3C)n2)cc1 ZINC000171902875 1425847968 /nfs/dbraw/zinc/84/79/68/1425847968.db2.gz SFDNLHDTSDQQRM-OAHLLOKOSA-N 0 1 379.464 3.219 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C)Cc3ccccc3C)n[nH]2)cc1 ZINC000171902875 1425847971 /nfs/dbraw/zinc/84/79/71/1425847971.db2.gz SFDNLHDTSDQQRM-OAHLLOKOSA-N 0 1 379.464 3.219 20 0 GGADMN c1nc2ccc(-c3nnn[n-]3)cn2c1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000826522521 1425851934 /nfs/dbraw/zinc/85/19/34/1425851934.db2.gz FDSZUYQKNRWTIJ-INIZCTEOSA-N 0 1 398.474 3.375 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000826522521 1425851938 /nfs/dbraw/zinc/85/19/38/1425851938.db2.gz FDSZUYQKNRWTIJ-INIZCTEOSA-N 0 1 398.474 3.375 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000826522521 1425851942 /nfs/dbraw/zinc/85/19/42/1425851942.db2.gz FDSZUYQKNRWTIJ-INIZCTEOSA-N 0 1 398.474 3.375 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824899068 1425852997 /nfs/dbraw/zinc/85/29/97/1425852997.db2.gz HRALTOMRBMNHQG-OXQOHEQNSA-N 0 1 392.507 3.291 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000824899068 1425853000 /nfs/dbraw/zinc/85/30/00/1425853000.db2.gz HRALTOMRBMNHQG-OXQOHEQNSA-N 0 1 392.507 3.291 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000824899068 1425853004 /nfs/dbraw/zinc/85/30/04/1425853004.db2.gz HRALTOMRBMNHQG-OXQOHEQNSA-N 0 1 392.507 3.291 20 0 GGADMN CC(C)[C@@](C)(O)CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000171944247 1425858706 /nfs/dbraw/zinc/85/87/06/1425858706.db2.gz CQHGCUPMAFBWBP-FQEVSTJZSA-N 0 1 381.948 3.258 20 0 GGADMN COCCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000171946866 1425859248 /nfs/dbraw/zinc/85/92/48/1425859248.db2.gz WFLRFBIIEUGWCZ-QFIPXVFZSA-N 0 1 398.503 3.287 20 0 GGADMN C[C@H](NCc1ccccc1CN1CCCC1=O)C(=O)N(C)Cc1cccc(F)c1 ZINC000171967894 1425864346 /nfs/dbraw/zinc/86/43/46/1425864346.db2.gz SAWBBFRPOWUPLW-KRWDZBQOSA-N 0 1 397.494 3.085 20 0 GGADMN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000171967474 1425864387 /nfs/dbraw/zinc/86/43/87/1425864387.db2.gz WUFXFCCGNIGTBW-AWEZNQCLSA-N 0 1 391.874 3.422 20 0 GGADMN Cc1c(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)oc2ccc(F)cc12 ZINC000171968067 1425864454 /nfs/dbraw/zinc/86/44/54/1425864454.db2.gz IKEBFUDCJHCXFD-MRXNPFEDSA-N 0 1 389.471 3.134 20 0 GGADMN O=C(NCCCc1cccc(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000171968208 1425865045 /nfs/dbraw/zinc/86/50/45/1425865045.db2.gz ZCAFTEKSZGNCHB-GOSISDBHSA-N 0 1 379.932 3.026 20 0 GGADMN CCCC[C@@H](NCc1ccccc1CN1CCCC1=O)C(=O)Nc1cc(C)on1 ZINC000171975831 1425866116 /nfs/dbraw/zinc/86/61/16/1425866116.db2.gz OXVCIHRXSKPHPW-LJQANCHMSA-N 0 1 398.507 3.393 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000821805631 1425868269 /nfs/dbraw/zinc/86/82/69/1425868269.db2.gz VOUNISNEGNXVAJ-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1n[nH]c(=O)c2ccccc21 ZINC000172016212 1425874609 /nfs/dbraw/zinc/87/46/09/1425874609.db2.gz VTJRPIRTGHXHGU-UHFFFAOYSA-N 0 1 382.383 3.114 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826187899 1425877232 /nfs/dbraw/zinc/87/72/32/1425877232.db2.gz HXKYYWJWXIPLIH-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN COc1ccc(CN2CC[C@@H](NCc3ccc4c(c3)CC(C)(C)O4)C2=O)cc1 ZINC000172038634 1425880374 /nfs/dbraw/zinc/88/03/74/1425880374.db2.gz KPZAWXDMOCQETI-HXUWFJFHSA-N 0 1 380.488 3.299 20 0 GGADMN Fc1ccc(C[NH+]2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737646845 1425882447 /nfs/dbraw/zinc/88/24/47/1425882447.db2.gz AFTXRUOJEORCMI-UHFFFAOYSA-N 0 1 387.850 3.131 20 0 GGADMN O=C(COC[C@H]1CCOC1)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000172059156 1425885500 /nfs/dbraw/zinc/88/55/00/1425885500.db2.gz MIQITFWBQPZNPJ-AWEZNQCLSA-N 0 1 383.423 3.284 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000172062961 1425886527 /nfs/dbraw/zinc/88/65/27/1425886527.db2.gz UCGUYRPAFSXULG-OAQYLSRUSA-N 0 1 393.535 3.014 20 0 GGADMN O=C(NCCc1ccc2c(c1)CCO2)NC[C@H](c1ccco1)N1CCCCC1 ZINC000172065191 1425887520 /nfs/dbraw/zinc/88/75/20/1425887520.db2.gz MGTXPXCNFAFTIH-LJQANCHMSA-N 0 1 383.492 3.283 20 0 GGADMN COCc1cccc(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC000172073738 1425889651 /nfs/dbraw/zinc/88/96/51/1425889651.db2.gz RHMBZCVCRXUNAV-QGZVFWFLSA-N 0 1 388.533 3.337 20 0 GGADMN C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000172079289 1425891116 /nfs/dbraw/zinc/89/11/16/1425891116.db2.gz LLBMACLTPNQQSU-WMLDXEAASA-N 0 1 385.430 3.100 20 0 GGADMN CCOC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000172079056 1425891141 /nfs/dbraw/zinc/89/11/41/1425891141.db2.gz DWUDQDRBEHPGHS-KRWDZBQOSA-N 0 1 399.457 3.490 20 0 GGADMN CCOC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000172079052 1425891222 /nfs/dbraw/zinc/89/12/22/1425891222.db2.gz DWUDQDRBEHPGHS-QGZVFWFLSA-N 0 1 399.457 3.490 20 0 GGADMN CN(CCc1ccc(Cl)cc1)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000172079375 1425891930 /nfs/dbraw/zinc/89/19/30/1425891930.db2.gz UDPVWBDRCOJOPO-LJQANCHMSA-N 0 1 385.939 3.457 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000172087005 1425893947 /nfs/dbraw/zinc/89/39/47/1425893947.db2.gz IBWULNZEHXYZAN-FXAWDEMLSA-N 0 1 387.911 3.346 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cnc(C)nc2C(C)C)N2CCCC2)cc1 ZINC000172096947 1425895573 /nfs/dbraw/zinc/89/55/73/1425895573.db2.gz JQPRAFGIIJKSLH-HXUWFJFHSA-N 0 1 382.508 3.484 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000172108749 1425898214 /nfs/dbraw/zinc/89/82/14/1425898214.db2.gz UJXYITVIDHYGAA-UHFFFAOYSA-N 0 1 394.880 3.473 20 0 GGADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000172111483 1425899418 /nfs/dbraw/zinc/89/94/18/1425899418.db2.gz ZRJVEIMXLRAVHZ-MRXNPFEDSA-N 0 1 394.880 3.228 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 ZINC000172112786 1425899768 /nfs/dbraw/zinc/89/97/68/1425899768.db2.gz WPIPUNKLPRIPJM-UHFFFAOYSA-N 0 1 376.501 3.127 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1F)N(C)C)c1cccs1 ZINC000172121515 1425903426 /nfs/dbraw/zinc/90/34/26/1425903426.db2.gz DKLDAJBWUXPPRO-JKSUJKDBSA-N 0 1 396.507 3.231 20 0 GGADMN COc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)CS(C)(=O)=O)cc1 ZINC000172122095 1425904204 /nfs/dbraw/zinc/90/42/04/1425904204.db2.gz HSTQUEWKJXEXQU-INIZCTEOSA-N 0 1 399.516 3.071 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000172122516 1425905375 /nfs/dbraw/zinc/90/53/75/1425905375.db2.gz OOTBDOUACZTHKZ-HNNXBMFYSA-N 0 1 387.480 3.201 20 0 GGADMN Cc1cc(CC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)no1 ZINC000172124921 1425906312 /nfs/dbraw/zinc/90/63/12/1425906312.db2.gz FKQXZSLWDPRPON-UHFFFAOYSA-N 0 1 384.480 3.369 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000736899469 1425914046 /nfs/dbraw/zinc/91/40/46/1425914046.db2.gz ALHQCCHQPVJQCC-XPGWFJOJSA-N 0 1 391.475 3.206 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000736899469 1425914049 /nfs/dbraw/zinc/91/40/49/1425914049.db2.gz ALHQCCHQPVJQCC-XPGWFJOJSA-N 0 1 391.475 3.206 20 0 GGADMN CCN(CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)CCc1ccccc1 ZINC000172155699 1425925059 /nfs/dbraw/zinc/92/50/59/1425925059.db2.gz GLESEWWVJZFMDF-UHFFFAOYSA-N 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ZINC000822345878 1425942786 /nfs/dbraw/zinc/94/27/86/1425942786.db2.gz VIRGXWQGFXIUKZ-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822345878 1425942789 /nfs/dbraw/zinc/94/27/89/1425942789.db2.gz VIRGXWQGFXIUKZ-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3CCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000822540462 1425942951 /nfs/dbraw/zinc/94/29/51/1425942951.db2.gz BCQPUBXVYMMPTP-ZDUSSCGKSA-N 0 1 386.500 3.306 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000172204056 1425945615 /nfs/dbraw/zinc/94/56/15/1425945615.db2.gz KSLKBKSNLVBOCD-HUUCEWRRSA-N 0 1 396.557 3.050 20 0 GGADMN O=C1CCCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)ccc2N1 ZINC000172212451 1425949093 /nfs/dbraw/zinc/94/90/93/1425949093.db2.gz NPAHEFMAYZSDAY-UHFFFAOYSA-N 0 1 385.367 3.176 20 0 GGADMN COc1ccc(CC[N@H+](Cc2ccc(-c3nnn[n-]3)o2)CC(C)C)cc1OC ZINC000826192278 1425951219 /nfs/dbraw/zinc/95/12/19/1425951219.db2.gz HDGNGCLKHIIEDG-UHFFFAOYSA-N 0 1 385.468 3.178 20 0 GGADMN COc1ccc(CC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)CC(C)C)cc1OC ZINC000826192278 1425951225 /nfs/dbraw/zinc/95/12/25/1425951225.db2.gz HDGNGCLKHIIEDG-UHFFFAOYSA-N 0 1 385.468 3.178 20 0 GGADMN COc1ccc(CC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)CC(C)C)cc1OC ZINC000826192278 1425951228 /nfs/dbraw/zinc/95/12/28/1425951228.db2.gz HDGNGCLKHIIEDG-UHFFFAOYSA-N 0 1 385.468 3.178 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(C2CC2)n[nH]1 ZINC000172230116 1425956714 /nfs/dbraw/zinc/95/67/14/1425956714.db2.gz QWYHXVYFJCXJPQ-OAHLLOKOSA-N 0 1 378.398 3.310 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)c1 ZINC000172230609 1425956786 /nfs/dbraw/zinc/95/67/86/1425956786.db2.gz KYGYLVJOCHFFER-UHFFFAOYSA-N 0 1 382.464 3.233 20 0 GGADMN O=C(CCc1cscn1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172230289 1425957088 /nfs/dbraw/zinc/95/70/88/1425957088.db2.gz WLBWWEOLULCIBF-HNNXBMFYSA-N 0 1 383.439 3.485 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000172235252 1425959031 /nfs/dbraw/zinc/95/90/31/1425959031.db2.gz JXUVHTFKQIHWFW-GOSISDBHSA-N 0 1 389.496 3.295 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000172235246 1425959039 /nfs/dbraw/zinc/95/90/39/1425959039.db2.gz JXUVHTFKQIHWFW-SFHVURJKSA-N 0 1 389.496 3.295 20 0 GGADMN CCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000736682872 1425960452 /nfs/dbraw/zinc/96/04/52/1425960452.db2.gz BPFXSCLIJTWKGR-AWEZNQCLSA-N 0 1 386.481 3.249 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccc2ncsc2c1 ZINC000172237878 1425960642 /nfs/dbraw/zinc/96/06/42/1425960642.db2.gz PETWYHVCJWBJTQ-KRWDZBQOSA-N 0 1 394.500 3.016 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000172238557 1425960769 /nfs/dbraw/zinc/96/07/69/1425960769.db2.gz OKMXNOGTRASODV-LJQANCHMSA-N 0 1 385.533 3.465 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccc2scnc2c1 ZINC000172237806 1425960809 /nfs/dbraw/zinc/96/08/09/1425960809.db2.gz NVKJOSJRNUFQML-KRWDZBQOSA-N 0 1 394.500 3.016 20 0 GGADMN CC(C)NC(=O)Nc1cccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1 ZINC000172243125 1425962978 /nfs/dbraw/zinc/96/29/78/1425962978.db2.gz PWUHUPFXALMOAK-UHFFFAOYSA-N 0 1 395.507 3.006 20 0 GGADMN c1ccc(COC[C@@H]2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826521786 1425963297 /nfs/dbraw/zinc/96/32/97/1425963297.db2.gz YTSSYGNJKHIEJK-QGZVFWFLSA-N 0 1 390.491 3.184 20 0 GGADMN CC(C)NC(=O)Nc1ccccc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172244262 1425963309 /nfs/dbraw/zinc/96/33/09/1425963309.db2.gz QVTJFHVZMWUZPR-UHFFFAOYSA-N 0 1 395.507 3.006 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cnn1-c1ccccc1C ZINC000172245478 1425964301 /nfs/dbraw/zinc/96/43/01/1425964301.db2.gz KAKQGTUDXMLCQK-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN O=C(CCOc1ccc(F)cc1Cl)NC1CCN(Cc2cccnc2)CC1 ZINC000172247414 1425965279 /nfs/dbraw/zinc/96/52/79/1425965279.db2.gz FYQCOLUYTNCGTF-UHFFFAOYSA-N 0 1 391.874 3.424 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000172247044 1425965370 /nfs/dbraw/zinc/96/53/70/1425965370.db2.gz HSXSOQGSCSSCQI-QFIPXVFZSA-N 0 1 395.503 3.034 20 0 GGADMN COc1ccc([C@H]2CCCN2CCn2cnc3ccccc3c2=O)cc1OC ZINC000172249136 1425966118 /nfs/dbraw/zinc/96/61/18/1425966118.db2.gz ZGBGFBNLSDKQIC-LJQANCHMSA-N 0 1 379.460 3.251 20 0 GGADMN COc1ccc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc32)c(OC)c1 ZINC000737091782 1425967031 /nfs/dbraw/zinc/96/70/31/1425967031.db2.gz YOKBBIFAASUSCT-UHFFFAOYSA-N 0 1 390.447 3.377 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000172262614 1425973025 /nfs/dbraw/zinc/97/30/25/1425973025.db2.gz HIPADZOTDYJFLS-MSOLQXFVSA-N 0 1 384.524 3.044 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555946 1425977034 /nfs/dbraw/zinc/97/70/34/1425977034.db2.gz YUTISZPAJZLDGV-FZMZJTMJSA-N 0 1 388.397 3.214 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000172289062 1425983376 /nfs/dbraw/zinc/98/33/76/1425983376.db2.gz ICQJFRDMCIHUQP-MAUKXSAKSA-N 0 1 391.487 3.168 20 0 GGADMN CC(C)C(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CC1 ZINC000172295426 1425985148 /nfs/dbraw/zinc/98/51/48/1425985148.db2.gz VIWYSVUQALEBIY-UHFFFAOYSA-N 0 1 391.475 3.458 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000172295741 1425985228 /nfs/dbraw/zinc/98/52/28/1425985228.db2.gz YUPNVHFLBFVTSN-IBGZPJMESA-N 0 1 384.395 3.345 20 0 GGADMN O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295403 1425985324 /nfs/dbraw/zinc/98/53/24/1425985324.db2.gz FYZKTULZYDFNCW-UHFFFAOYSA-N 0 1 398.488 3.311 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)N2CCCC2)cc1 ZINC000172297187 1425986017 /nfs/dbraw/zinc/98/60/17/1425986017.db2.gz RJWHCRZCQOESOH-GHTZIAJQSA-N 0 1 397.523 3.144 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000172299703 1425987132 /nfs/dbraw/zinc/98/71/32/1425987132.db2.gz HUVBROMXXFYFKB-MRXNPFEDSA-N 0 1 398.265 3.490 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000172299700 1425987199 /nfs/dbraw/zinc/98/71/99/1425987199.db2.gz HUVBROMXXFYFKB-INIZCTEOSA-N 0 1 398.265 3.490 20 0 GGADMN Cc1cccc(COc2ccc(NC(=O)C(=O)NCCN3CCCC3)c(C)c2)c1 ZINC000172303508 1425988792 /nfs/dbraw/zinc/98/87/92/1425988792.db2.gz IJLQDQHHDBNBAJ-UHFFFAOYSA-N 0 1 395.503 3.033 20 0 GGADMN O=C(NCCN1CCCC1)C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000172303256 1425989028 /nfs/dbraw/zinc/98/90/28/1425989028.db2.gz ZKKRXWXDNAMUNV-UHFFFAOYSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(C(F)(F)F)cc1 ZINC000821609740 1425994825 /nfs/dbraw/zinc/99/48/25/1425994825.db2.gz JWIPXVQRJIZNAD-UHFFFAOYSA-N 0 1 387.369 3.165 20 0 GGADMN C[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(C(F)(F)F)cc1 ZINC000821609740 1425994830 /nfs/dbraw/zinc/99/48/30/1425994830.db2.gz JWIPXVQRJIZNAD-UHFFFAOYSA-N 0 1 387.369 3.165 20 0 GGADMN COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000172319549 1425996165 /nfs/dbraw/zinc/99/61/65/1425996165.db2.gz FTKNUGHTFDLCBG-HHHXNRCGSA-N 0 1 387.461 3.126 20 0 GGADMN O=C(Nc1ccccc1OC(F)(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000172333879 1426003527 /nfs/dbraw/zinc/00/35/27/1426003527.db2.gz WCWZKBOLHGIIES-CQSZACIVSA-N 0 1 387.402 3.161 20 0 GGADMN O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000738152664 1426005180 /nfs/dbraw/zinc/00/51/80/1426005180.db2.gz WRGIISUULXIDRR-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738152664 1426005188 /nfs/dbraw/zinc/00/51/88/1426005188.db2.gz WRGIISUULXIDRR-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000738152664 1426005193 /nfs/dbraw/zinc/00/51/93/1426005193.db2.gz WRGIISUULXIDRR-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCc3cccc(O)c3)c2C1 ZINC000172337670 1426005616 /nfs/dbraw/zinc/00/56/16/1426005616.db2.gz YDJSMSOCMRYYAZ-INIZCTEOSA-N 0 1 395.503 3.050 20 0 GGADMN C[NH+](C)CCCC1CCN(c2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825860783 1426008107 /nfs/dbraw/zinc/00/81/07/1426008107.db2.gz WMGYCOFIXUBKFL-UHFFFAOYSA-N 0 1 393.333 3.187 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000825914615 1426012421 /nfs/dbraw/zinc/01/24/21/1426012421.db2.gz LTNUHMAXFHVYQE-UHFFFAOYSA-N 0 1 388.834 3.120 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000172360869 1426013953 /nfs/dbraw/zinc/01/39/53/1426013953.db2.gz OECWKNAAOWSZMF-UHFFFAOYSA-N 0 1 390.528 3.070 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000819877488 1426014903 /nfs/dbraw/zinc/01/49/03/1426014903.db2.gz WWPIEWQBQNOJBB-BFYDXBDKSA-N 0 1 376.464 3.072 20 0 GGADMN CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825416864 1426016771 /nfs/dbraw/zinc/01/67/71/1426016771.db2.gz MZQQZBBYTZLTFQ-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825204458 1426018778 /nfs/dbraw/zinc/01/87/78/1426018778.db2.gz RBMNSNCDXFQPNH-XPGWFJOJSA-N 0 1 396.539 3.117 20 0 GGADMN Cc1ccc(NC(=O)C2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)nc1 ZINC000172386106 1426022342 /nfs/dbraw/zinc/02/23/42/1426022342.db2.gz FKIATFPWVSIPPM-IBGZPJMESA-N 0 1 394.475 3.066 20 0 GGADMN Cc1ccc(C)c(OC2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)c1 ZINC000172386334 1426022380 /nfs/dbraw/zinc/02/23/80/1426022380.db2.gz QOWDMGBFSWFTKL-UHFFFAOYSA-N 0 1 385.508 3.011 20 0 GGADMN O=C(c1cc(C2CC2)nc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000172386174 1426022802 /nfs/dbraw/zinc/02/28/02/1426022802.db2.gz XYOVFPOIEGLLAC-UHFFFAOYSA-N 0 1 379.504 3.297 20 0 GGADMN COc1cccc(OCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826217618 1426024059 /nfs/dbraw/zinc/02/40/59/1426024059.db2.gz VKICHVBMQWDIJJ-FQEVSTJZSA-N 0 1 379.464 3.311 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000172393136 1426025320 /nfs/dbraw/zinc/02/53/20/1426025320.db2.gz HMJXUAIMWYEIHV-FUHWJXTLSA-N 0 1 386.496 3.059 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172399767 1426026752 /nfs/dbraw/zinc/02/67/52/1426026752.db2.gz GICVHBOXRYGQJR-UHFFFAOYSA-N 0 1 381.904 3.233 20 0 GGADMN O=C(Nc1ccccc1OC(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172402367 1426027344 /nfs/dbraw/zinc/02/73/44/1426027344.db2.gz AFFQKXMQPSJSTP-UHFFFAOYSA-N 0 1 387.402 3.161 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000172407047 1426028571 /nfs/dbraw/zinc/02/85/71/1426028571.db2.gz PQKMESLVAQOSOQ-SJLPKXTDSA-N 0 1 389.402 3.004 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000172407045 1426028613 /nfs/dbraw/zinc/02/86/13/1426028613.db2.gz PQKMESLVAQOSOQ-AEFFLSMTSA-N 0 1 389.402 3.004 20 0 GGADMN O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417115 1426034254 /nfs/dbraw/zinc/03/42/54/1426034254.db2.gz YZDQRBYMSVZFLD-UHFFFAOYSA-N 0 1 391.566 3.146 20 0 GGADMN O=C(Cn1c(=S)[n-]nc1-c1cccs1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172417115 1426034260 /nfs/dbraw/zinc/03/42/60/1426034260.db2.gz YZDQRBYMSVZFLD-UHFFFAOYSA-N 0 1 391.566 3.146 20 0 GGADMN COc1ccccc1CCC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826219824 1426035855 /nfs/dbraw/zinc/03/58/55/1426035855.db2.gz RSCZLQYQIGWVGT-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN COc1ccccc1CCC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826219824 1426035863 /nfs/dbraw/zinc/03/58/63/1426035863.db2.gz RSCZLQYQIGWVGT-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN COc1ccccc1CCC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826219824 1426035870 /nfs/dbraw/zinc/03/58/70/1426035870.db2.gz RSCZLQYQIGWVGT-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN CC(C)(CNC(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000172428090 1426040549 /nfs/dbraw/zinc/04/05/49/1426040549.db2.gz IKVGJUZPHOVIAC-UHFFFAOYSA-N 0 1 384.499 3.462 20 0 GGADMN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000172428077 1426040639 /nfs/dbraw/zinc/04/06/39/1426040639.db2.gz XVJIUFMYSFQGHX-QUCCMNQESA-N 0 1 388.556 3.187 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820804478 1426042130 /nfs/dbraw/zinc/04/21/30/1426042130.db2.gz SUWXHEOGZNDAJD-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820804478 1426042137 /nfs/dbraw/zinc/04/21/37/1426042137.db2.gz SUWXHEOGZNDAJD-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN COc1cccc(C2(C(=O)N3CCN(CC4CCOCC4)CC3)CCCC2)c1 ZINC000172459368 1426048242 /nfs/dbraw/zinc/04/82/42/1426048242.db2.gz SYAOZSMBCPNRDN-UHFFFAOYSA-N 0 1 386.536 3.078 20 0 GGADMN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172459145 1426048467 /nfs/dbraw/zinc/04/84/67/1426048467.db2.gz WOHDNQRRSHDETJ-UHFFFAOYSA-N 0 1 380.916 3.068 20 0 GGADMN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000172460032 1426049526 /nfs/dbraw/zinc/04/95/26/1426049526.db2.gz HIIAKTINDYVIEI-UHFFFAOYSA-N 0 1 392.499 3.495 20 0 GGADMN O=C(c1ccc(COc2ccccc2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172461511 1426050162 /nfs/dbraw/zinc/05/01/62/1426050162.db2.gz XTIWVOVOZWBNNC-UHFFFAOYSA-N 0 1 394.515 3.450 20 0 GGADMN O=C(c1ccccc1COc1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000172463715 1426050742 /nfs/dbraw/zinc/05/07/42/1426050742.db2.gz IFFVCDCYLXKPNX-UHFFFAOYSA-N 0 1 394.515 3.450 20 0 GGADMN O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172462760 1426051039 /nfs/dbraw/zinc/05/10/39/1426051039.db2.gz YUSQYKPWSSQXQQ-MOPGFXCFSA-N 0 1 396.453 3.380 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000172462767 1426051079 /nfs/dbraw/zinc/05/10/79/1426051079.db2.gz YUSQYKPWSSQXQQ-RTBURBONSA-N 0 1 396.453 3.380 20 0 GGADMN Cc1nc(-c2cccs2)ccc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172463514 1426051160 /nfs/dbraw/zinc/05/11/60/1426051160.db2.gz BTLKNISHAMVPCI-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000735561213 1426053772 /nfs/dbraw/zinc/05/37/72/1426053772.db2.gz JMNHPRVYSQQVGJ-ZHRRBRCNSA-N 0 1 390.491 3.247 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@@H]3CC=CCC3)CC2)c1C ZINC000172480594 1426054949 /nfs/dbraw/zinc/05/49/49/1426054949.db2.gz SOHQGHHPAJTEPF-GOSISDBHSA-N 0 1 386.540 3.422 20 0 GGADMN CC[NH+](CC)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CC(C)C ZINC000736535875 1426056787 /nfs/dbraw/zinc/05/67/87/1426056787.db2.gz ZWMRBDACNRBKFP-LBPRGKRZSA-N 0 1 385.438 3.449 20 0 GGADMN CCCn1ccc2cc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N(C)C)ccc21 ZINC000172501330 1426061088 /nfs/dbraw/zinc/06/10/88/1426061088.db2.gz ASSKOPJQOZXBGT-NRFANRHFSA-N 0 1 392.503 3.409 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1N1CCOCC1 ZINC000172515890 1426067177 /nfs/dbraw/zinc/06/71/77/1426067177.db2.gz DGXOCPLHNHTJQP-UHFFFAOYSA-N 0 1 383.839 3.214 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(-n2cccn2)ccn1 ZINC000172516857 1426067474 /nfs/dbraw/zinc/06/74/74/1426067474.db2.gz BNKKUBIODUEOFA-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN CN(C)[C@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000172519596 1426068652 /nfs/dbraw/zinc/06/86/52/1426068652.db2.gz CSBFSFDISDSHHF-MRXNPFEDSA-N 0 1 381.492 3.238 20 0 GGADMN CN(C)[C@@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000172519591 1426068710 /nfs/dbraw/zinc/06/87/10/1426068710.db2.gz CSBFSFDISDSHHF-INIZCTEOSA-N 0 1 381.492 3.238 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000737558537 1426072884 /nfs/dbraw/zinc/07/28/84/1426072884.db2.gz MZBISOVXAXIZLX-MRXNPFEDSA-N 0 1 383.887 3.382 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737148227 1426073813 /nfs/dbraw/zinc/07/38/13/1426073813.db2.gz PBBONGCEHZTULJ-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737148227 1426073818 /nfs/dbraw/zinc/07/38/18/1426073818.db2.gz PBBONGCEHZTULJ-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737148227 1426073824 /nfs/dbraw/zinc/07/38/24/1426073824.db2.gz PBBONGCEHZTULJ-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172555354 1426084905 /nfs/dbraw/zinc/08/49/05/1426084905.db2.gz IIWSNTYRBNEOOS-OTWHNJEPSA-N 0 1 391.519 3.483 20 0 GGADMN Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(C)C[C@H]2C(C)C)cc1 ZINC000172555457 1426085229 /nfs/dbraw/zinc/08/52/29/1426085229.db2.gz UDMJTLVTYADIPR-NRFANRHFSA-N 0 1 385.508 3.212 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172558909 1426087733 /nfs/dbraw/zinc/08/77/33/1426087733.db2.gz UMOWDGAGROYFLP-SFHVURJKSA-N 0 1 395.482 3.097 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(Oc2cnccn2)c1 ZINC000172567947 1426091481 /nfs/dbraw/zinc/09/14/81/1426091481.db2.gz XNEGFOVFDPUFGQ-UHFFFAOYSA-N 0 1 389.459 3.058 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc(-n2cccn2)n1 ZINC000172571539 1426092398 /nfs/dbraw/zinc/09/23/98/1426092398.db2.gz DJOQGDFIXYHHOI-UHFFFAOYSA-N 0 1 381.399 3.458 20 0 GGADMN O=C(Nc1ccc(-c2cc[nH]n2)cc1)NC1CCN(Cc2ccccn2)CC1 ZINC000172572526 1426093081 /nfs/dbraw/zinc/09/30/81/1426093081.db2.gz HTNMYLUWQQWGET-UHFFFAOYSA-N 0 1 376.464 3.258 20 0 GGADMN CC[NH+](CC)Cc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736531113 1426098379 /nfs/dbraw/zinc/09/83/79/1426098379.db2.gz QSXUWTJAUKNNRB-UHFFFAOYSA-N 0 1 388.479 3.264 20 0 GGADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820642747 1426098899 /nfs/dbraw/zinc/09/88/99/1426098899.db2.gz LGEUDJMSFXAIDJ-KDOFPFPSSA-N 0 1 387.447 3.295 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420148 1426102085 /nfs/dbraw/zinc/10/20/85/1426102085.db2.gz MZIQINMSRPWWLJ-JKSUJKDBSA-N 0 1 382.537 3.491 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736817541 1426102857 /nfs/dbraw/zinc/10/28/57/1426102857.db2.gz CTIHZPJRNNHLDG-SFHVURJKSA-N 0 1 396.882 3.148 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736817541 1426102864 /nfs/dbraw/zinc/10/28/64/1426102864.db2.gz CTIHZPJRNNHLDG-SFHVURJKSA-N 0 1 396.882 3.148 20 0 GGADMN O=C(NC[C@@H](CCO)c1ccccc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000172591770 1426103155 /nfs/dbraw/zinc/10/31/55/1426103155.db2.gz AQMWGXCRNADXTI-UXHICEINSA-N 0 1 385.508 3.272 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000172596989 1426105514 /nfs/dbraw/zinc/10/55/14/1426105514.db2.gz WPYIQQAVLAPDST-UHFFFAOYSA-N 0 1 391.471 3.263 20 0 GGADMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000735693763 1426106568 /nfs/dbraw/zinc/10/65/68/1426106568.db2.gz LYVJEDXETFOISV-LJQANCHMSA-N 0 1 392.479 3.035 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737419569 1426107020 /nfs/dbraw/zinc/10/70/20/1426107020.db2.gz DSOKCIGRVRYTLZ-SJORKVTESA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737419569 1426107026 /nfs/dbraw/zinc/10/70/26/1426107026.db2.gz DSOKCIGRVRYTLZ-SJORKVTESA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737419569 1426107030 /nfs/dbraw/zinc/10/70/30/1426107030.db2.gz DSOKCIGRVRYTLZ-SJORKVTESA-N 0 1 390.491 3.382 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[N@@H+](C)CCC1CC1 ZINC000824053467 1426109726 /nfs/dbraw/zinc/10/97/26/1426109726.db2.gz ZHYDWPIFFGQQKV-GFCCVEGCSA-N 0 1 388.541 3.256 20 0 GGADMN c1ccc(C[NH+]2CCC(OCCCNc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823779469 1426112039 /nfs/dbraw/zinc/11/20/39/1426112039.db2.gz DTAPMJFTUTWGFJ-UHFFFAOYSA-N 0 1 392.507 3.350 20 0 GGADMN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)Cc1nnc[nH]1 ZINC000172617629 1426115088 /nfs/dbraw/zinc/11/50/88/1426115088.db2.gz LHAAQKPBOHOLGP-UHFFFAOYSA-N 0 1 375.436 3.070 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000172616173 1426115299 /nfs/dbraw/zinc/11/52/99/1426115299.db2.gz VGEYUJWKVFGENS-UHFFFAOYSA-N 0 1 382.811 3.176 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000172618441 1426115363 /nfs/dbraw/zinc/11/53/63/1426115363.db2.gz IDOFWWGGXKIMDQ-UHFFFAOYSA-N 0 1 378.461 3.246 20 0 GGADMN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)Cc3nnc[nH]3)cc12 ZINC000172620717 1426116274 /nfs/dbraw/zinc/11/62/74/1426116274.db2.gz CGMYNISDTSUVAV-UHFFFAOYSA-N 0 1 386.868 3.439 20 0 GGADMN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C)Cc3nnc[nH]3)cc12 ZINC000172620711 1426116444 /nfs/dbraw/zinc/11/64/44/1426116444.db2.gz KVRPPMSTRCOQFN-UHFFFAOYSA-N 0 1 386.868 3.439 20 0 GGADMN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000172621948 1426117182 /nfs/dbraw/zinc/11/71/82/1426117182.db2.gz QISPIGWYFQPBBN-CQSZACIVSA-N 0 1 388.851 3.302 20 0 GGADMN CCOC(=O)N1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000172652998 1426128824 /nfs/dbraw/zinc/12/88/24/1426128824.db2.gz ILMPPTZPGKRRSJ-UHFFFAOYSA-N 0 1 378.860 3.097 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCC[S@](=O)C(C)(C)C)[nH]c2c1 ZINC000172656636 1426130572 /nfs/dbraw/zinc/13/05/72/1426130572.db2.gz MBOXNKZZHCPCKZ-QMTYFTJSSA-N 0 1 376.526 3.265 20 0 GGADMN CN(C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1CCCN(C)C1 ZINC000172659599 1426131692 /nfs/dbraw/zinc/13/16/92/1426131692.db2.gz NIMYERYYHRJUQD-LBPRGKRZSA-N 0 1 384.377 3.196 20 0 GGADMN CN(C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[C@@H]1CCCN(C)C1 ZINC000172659602 1426131964 /nfs/dbraw/zinc/13/19/64/1426131964.db2.gz NIMYERYYHRJUQD-GFCCVEGCSA-N 0 1 384.377 3.196 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)[C@H]3CCc4ccccc43)n2)cc1 ZINC000172660847 1426132507 /nfs/dbraw/zinc/13/25/07/1426132507.db2.gz UNZPDFQGDWWAFC-SFHVURJKSA-N 0 1 377.448 3.309 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)[C@H]3CCc4ccccc43)n[nH]2)cc1 ZINC000172660847 1426132519 /nfs/dbraw/zinc/13/25/19/1426132519.db2.gz UNZPDFQGDWWAFC-SFHVURJKSA-N 0 1 377.448 3.309 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N(C)CCCc3ccccc3)n2)cc1 ZINC000172660572 1426132834 /nfs/dbraw/zinc/13/28/34/1426132834.db2.gz XLBOFIRGNQTDRY-UHFFFAOYSA-N 0 1 379.464 3.255 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N(C)CCCc3ccccc3)n[nH]2)cc1 ZINC000172660572 1426132841 /nfs/dbraw/zinc/13/28/41/1426132841.db2.gz XLBOFIRGNQTDRY-UHFFFAOYSA-N 0 1 379.464 3.255 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1N1CCCC1 ZINC000172683844 1426141216 /nfs/dbraw/zinc/14/12/16/1426141216.db2.gz GOIBNMZMEAPNCX-UHFFFAOYSA-N 0 1 393.535 3.141 20 0 GGADMN CCN(CC)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000172683635 1426141250 /nfs/dbraw/zinc/14/12/50/1426141250.db2.gz JFRDHDRCUUEDOY-UHFFFAOYSA-N 0 1 381.524 3.079 20 0 GGADMN CN(Cc1cccc2ccccc21)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000172685433 1426142248 /nfs/dbraw/zinc/14/22/48/1426142248.db2.gz WSNLQLDWWWEKMB-UHFFFAOYSA-N 0 1 388.515 3.406 20 0 GGADMN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172692176 1426145808 /nfs/dbraw/zinc/14/58/08/1426145808.db2.gz QUKXRPNFJHEFSK-CVEARBPZSA-N 0 1 396.553 3.340 20 0 GGADMN CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172694023 1426146475 /nfs/dbraw/zinc/14/64/75/1426146475.db2.gz WQESBJXYGAYSOI-CYBMUJFWSA-N 0 1 383.439 3.092 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CN2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000172693672 1426146557 /nfs/dbraw/zinc/14/65/57/1426146557.db2.gz RPKVYBQIWJVSAG-HNNXBMFYSA-N 0 1 380.920 3.114 20 0 GGADMN O=C(NCc1nc(C(F)(F)F)cs1)NC1CCN(Cc2ccncc2)CC1 ZINC000172694594 1426147482 /nfs/dbraw/zinc/14/74/82/1426147482.db2.gz ONJSUZVXQJGXME-UHFFFAOYSA-N 0 1 399.442 3.021 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)N2CCCC2)o1 ZINC000172699687 1426149447 /nfs/dbraw/zinc/14/94/47/1426149447.db2.gz XTZKCUPBRPJOCP-WOJBJXKFSA-N 0 1 385.508 3.190 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@H](CCO)c2ccccc2)N2CCCC2)o1 ZINC000172699693 1426149493 /nfs/dbraw/zinc/14/94/93/1426149493.db2.gz XTZKCUPBRPJOCP-VQTJNVASSA-N 0 1 385.508 3.190 20 0 GGADMN COc1ccc(CC[C@@H](C)NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000172713488 1426155583 /nfs/dbraw/zinc/15/55/83/1426155583.db2.gz QANDRKUXGWCRJR-LJQANCHMSA-N 0 1 395.547 3.194 20 0 GGADMN CCOc1cccc([C@H](C)NC(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000172718412 1426158653 /nfs/dbraw/zinc/15/86/53/1426158653.db2.gz AFDWVOUCMINTCQ-SFHVURJKSA-N 0 1 381.520 3.324 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(Br)cc1)C(=O)Nc1sccc1C(N)=O ZINC000172725702 1426162417 /nfs/dbraw/zinc/16/24/17/1426162417.db2.gz WAGBXMDLRZBKCM-NXEZZACHSA-N 0 1 396.310 3.287 20 0 GGADMN CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819914190 1426163827 /nfs/dbraw/zinc/16/38/27/1426163827.db2.gz OEHMYIUNANNNCI-UHFFFAOYSA-N 0 1 382.443 3.245 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)N2CCCC2)o1 ZINC000172738116 1426168503 /nfs/dbraw/zinc/16/85/03/1426168503.db2.gz MTYQJNZYCWSULA-SFHVURJKSA-N 0 1 398.507 3.441 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3ccc(F)c(Cl)c3)c2)CC1 ZINC000172740496 1426168996 /nfs/dbraw/zinc/16/89/96/1426168996.db2.gz DHCOEKBDAVTLLA-UHFFFAOYSA-N 0 1 375.875 3.157 20 0 GGADMN CC(=O)Nc1ccc(C)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000172758255 1426175270 /nfs/dbraw/zinc/17/52/70/1426175270.db2.gz VBUGFNISXAHMIY-UHFFFAOYSA-N 0 1 380.492 3.104 20 0 GGADMN COc1cccc2sc(NC(=O)c3cccc(CN4CCN(C)CC4)c3)nc21 ZINC000172765379 1426177439 /nfs/dbraw/zinc/17/74/39/1426177439.db2.gz WWKCWIKVFPMKDK-UHFFFAOYSA-N 0 1 396.516 3.305 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)c(C)o1 ZINC000172776740 1426183125 /nfs/dbraw/zinc/18/31/25/1426183125.db2.gz ZDHPMXVWQKCJFN-IBGZPJMESA-N 0 1 397.475 3.116 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3nc(C(C)(C)C)cs3)c2)CC1 ZINC000172781665 1426184636 /nfs/dbraw/zinc/18/46/36/1426184636.db2.gz YXRLNIFIEOEACJ-UHFFFAOYSA-N 0 1 386.565 3.118 20 0 GGADMN c1ccc(N2CC[C@@H](CNc3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826522240 1426188328 /nfs/dbraw/zinc/18/83/28/1426188328.db2.gz SFEGMDBYAUKOJN-HNNXBMFYSA-N 0 1 375.480 3.079 20 0 GGADMN CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824271021 1426190498 /nfs/dbraw/zinc/19/04/98/1426190498.db2.gz KHFVUBDQJFSANO-MGPUTAFESA-N 0 1 381.480 3.286 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)NCC1(Sc2ccccc2)CC1 ZINC000172803016 1426196249 /nfs/dbraw/zinc/19/62/49/1426196249.db2.gz ZUXOWOZKTYKVFG-UHFFFAOYSA-N 0 1 396.560 3.035 20 0 GGADMN c1cc(C[N@@H+]2CCOCC23CCC3)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826516024 1426213069 /nfs/dbraw/zinc/21/30/69/1426213069.db2.gz UQJZCIIGJCTTGU-UHFFFAOYSA-N 0 1 391.475 3.201 20 0 GGADMN c1cc(C[N@H+]2CCOCC23CCC3)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826516024 1426213073 /nfs/dbraw/zinc/21/30/73/1426213073.db2.gz UQJZCIIGJCTTGU-UHFFFAOYSA-N 0 1 391.475 3.201 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000172841502 1426215120 /nfs/dbraw/zinc/21/51/20/1426215120.db2.gz AMEXSJGOXSODJT-KRWDZBQOSA-N 0 1 387.553 3.249 20 0 GGADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000172841502 1426215127 /nfs/dbraw/zinc/21/51/27/1426215127.db2.gz AMEXSJGOXSODJT-KRWDZBQOSA-N 0 1 387.553 3.249 20 0 GGADMN Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822232212 1426226004 /nfs/dbraw/zinc/22/60/04/1426226004.db2.gz XENZSCHLSMXXGN-HXUWFJFHSA-N 0 1 393.491 3.060 20 0 GGADMN CC(C)[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1cccc(F)c1 ZINC000820120647 1426226796 /nfs/dbraw/zinc/22/67/96/1426226796.db2.gz HMLUUBHTHJAYDO-UHFFFAOYSA-N 0 1 393.426 3.466 20 0 GGADMN CC(C)[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1cccc(F)c1 ZINC000820120647 1426226803 /nfs/dbraw/zinc/22/68/03/1426226803.db2.gz HMLUUBHTHJAYDO-UHFFFAOYSA-N 0 1 393.426 3.466 20 0 GGADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172870565 1426231371 /nfs/dbraw/zinc/23/13/71/1426231371.db2.gz SSYLCRBTFFONPC-UHFFFAOYSA-N 0 1 392.503 3.331 20 0 GGADMN COCCCOc1cccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000172884149 1426238742 /nfs/dbraw/zinc/23/87/42/1426238742.db2.gz CVOTUTLRJGMTKN-UHFFFAOYSA-N 0 1 397.519 3.102 20 0 GGADMN O=C(Nc1nnc(C(F)F)s1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000172885995 1426239203 /nfs/dbraw/zinc/23/92/03/1426239203.db2.gz CHDXWDARAMIUFU-UHFFFAOYSA-N 0 1 380.332 3.154 20 0 GGADMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(O[C@H]2CCOC2)c1 ZINC000826288704 1426250060 /nfs/dbraw/zinc/25/00/60/1426250060.db2.gz SMMGHFIGNGICLJ-YOEHRIQHSA-N 0 1 397.454 3.333 20 0 GGADMN Cc1[nH+]ccn1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000822479006 1426253218 /nfs/dbraw/zinc/25/32/18/1426253218.db2.gz XCUFDMOYEVGEHT-CYBMUJFWSA-N 0 1 377.374 3.232 20 0 GGADMN C[C@H]1Cc2ccccc2CN1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172907763 1426253785 /nfs/dbraw/zinc/25/37/85/1426253785.db2.gz LOQBXFFRDVSSQN-IBGZPJMESA-N 0 1 397.563 3.074 20 0 GGADMN C[N@H+](Cc1csc(Br)c1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821616901 1426256592 /nfs/dbraw/zinc/25/65/92/1426256592.db2.gz MZKFBDRRJLGHFH-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN C[N@@H+](Cc1csc(Br)c1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821616901 1426256598 /nfs/dbraw/zinc/25/65/98/1426256598.db2.gz MZKFBDRRJLGHFH-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000172913290 1426257516 /nfs/dbraw/zinc/25/75/16/1426257516.db2.gz CAUVGWKWAPXFPK-HNNXBMFYSA-N 0 1 386.565 3.403 20 0 GGADMN CNC(=O)c1cccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 ZINC000172922716 1426265099 /nfs/dbraw/zinc/26/50/99/1426265099.db2.gz LRRBCQBZPHPRNQ-UHFFFAOYSA-N 0 1 383.517 3.156 20 0 GGADMN Cc1cc(C)cc(-c2nn(CN3CC[C@@H](CN4CCOCC4)C3)c(=S)o2)c1 ZINC000172934017 1426271918 /nfs/dbraw/zinc/27/19/18/1426271918.db2.gz IBUDOEZGSHQKNH-KRWDZBQOSA-N 0 1 388.537 3.101 20 0 GGADMN FC(F)n1c2ccccc2n(CN2CC[C@H](CN3CCOCC3)C2)c1=S ZINC000172935259 1426273376 /nfs/dbraw/zinc/27/33/76/1426273376.db2.gz ONFNGQRZMZCMMA-CQSZACIVSA-N 0 1 382.480 3.179 20 0 GGADMN C[N@@H+]1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022962 1426276255 /nfs/dbraw/zinc/27/62/55/1426276255.db2.gz UGJBEHZGXWGUNL-SJCJKPOMSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826022962 1426276262 /nfs/dbraw/zinc/27/62/62/1426276262.db2.gz UGJBEHZGXWGUNL-SJCJKPOMSA-N 0 1 387.850 3.159 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCC(F)(F)F)CC1 ZINC000172946381 1426279538 /nfs/dbraw/zinc/27/95/38/1426279538.db2.gz GFLHZQWCKFEEBT-ZDUSSCGKSA-N 0 1 375.410 3.487 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000172947650 1426280144 /nfs/dbraw/zinc/28/01/44/1426280144.db2.gz XTBKHUUVBIRXDN-PGRDOPGGSA-N 0 1 399.560 3.410 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccs1 ZINC000172947305 1426280447 /nfs/dbraw/zinc/28/04/47/1426280447.db2.gz XUXIKHHNDYOAMC-CVEARBPZSA-N 0 1 391.924 3.174 20 0 GGADMN Cc1ccc(N2C(=O)C[C@H](N3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000172949756 1426281109 /nfs/dbraw/zinc/28/11/09/1426281109.db2.gz SCWTZQJKXFJOTJ-FPOVZHCZSA-N 0 1 378.472 3.166 20 0 GGADMN CCn1nc(C)c(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1Cl ZINC000172953505 1426282604 /nfs/dbraw/zinc/28/26/04/1426282604.db2.gz UUJWELCIYCQUIO-MRXNPFEDSA-N 0 1 390.915 3.440 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)N2CCCC2)c1 ZINC000172956606 1426283486 /nfs/dbraw/zinc/28/34/86/1426283486.db2.gz LUJNBMDJTDVEKL-ZHRRBRCNSA-N 0 1 398.551 3.177 20 0 GGADMN C[C@@H](NC(=O)Cc1cc(F)ccc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000172957476 1426283858 /nfs/dbraw/zinc/28/38/58/1426283858.db2.gz HJPNUJUVGOFOIJ-CQSZACIVSA-N 0 1 391.437 3.276 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1ccccc1 ZINC000172984752 1426294378 /nfs/dbraw/zinc/29/43/78/1426294378.db2.gz BCSVLSRQOFHDOK-NRFANRHFSA-N 0 1 393.487 3.221 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1ccccc1 ZINC000172984757 1426294678 /nfs/dbraw/zinc/29/46/78/1426294678.db2.gz BCSVLSRQOFHDOK-OAQYLSRUSA-N 0 1 393.487 3.221 20 0 GGADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000172987456 1426296060 /nfs/dbraw/zinc/29/60/60/1426296060.db2.gz HCBGTLBWYXGETB-DLBZAZTESA-N 0 1 383.492 3.293 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821891138 1426296601 /nfs/dbraw/zinc/29/66/01/1426296601.db2.gz WJRPNJFVYHVHRP-RBUKOAKNSA-N 0 1 379.464 3.136 20 0 GGADMN COCCCOc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000173000358 1426302663 /nfs/dbraw/zinc/30/26/63/1426302663.db2.gz IYCPOYCIDZAPQC-UHFFFAOYSA-N 0 1 382.504 3.450 20 0 GGADMN Cc1cc(S(=O)(=O)N(Cc2ccco2)C2CCN(C)CC2)cc(C)c1F ZINC000173004506 1426304911 /nfs/dbraw/zinc/30/49/11/1426304911.db2.gz MWVSIZPNANSPSB-UHFFFAOYSA-N 0 1 380.485 3.321 20 0 GGADMN COc1ccc2sc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c(C)c2c1 ZINC000173010387 1426306904 /nfs/dbraw/zinc/30/69/04/1426306904.db2.gz GXRNGDVGCCQQHU-ZIAGYGMSSA-N 0 1 376.522 3.447 20 0 GGADMN CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000173026829 1426314264 /nfs/dbraw/zinc/31/42/64/1426314264.db2.gz JBKYNIYVNUBGCR-SJORKVTESA-N 0 1 395.912 3.158 20 0 GGADMN CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000173026849 1426314307 /nfs/dbraw/zinc/31/43/07/1426314307.db2.gz JBKYNIYVNUBGCR-DLBZAZTESA-N 0 1 395.912 3.158 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000173026968 1426314847 /nfs/dbraw/zinc/31/48/47/1426314847.db2.gz QOVOWUVOMYPXFR-SJORKVTESA-N 0 1 395.912 3.158 20 0 GGADMN O=C(Nc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1)OCC(F)(F)F ZINC000173039298 1426318748 /nfs/dbraw/zinc/31/87/48/1426318748.db2.gz IFNALBMLNDPOLH-UHFFFAOYSA-N 0 1 395.297 3.428 20 0 GGADMN COc1ccc(OC)c(C[N@H+](Cc2cc(-c3nnn[n-]3)ccc2OC)C2CC2)c1 ZINC000821843261 1426320568 /nfs/dbraw/zinc/32/05/68/1426320568.db2.gz ZZGCKPYZQKXMMK-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN COc1ccc(OC)c(C[N@@H+](Cc2cc(-c3nnn[n-]3)ccc2OC)C2CC2)c1 ZINC000821843261 1426320573 /nfs/dbraw/zinc/32/05/73/1426320573.db2.gz ZZGCKPYZQKXMMK-UHFFFAOYSA-N 0 1 395.463 3.057 20 0 GGADMN Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000173048637 1426322853 /nfs/dbraw/zinc/32/28/53/1426322853.db2.gz UUSQGMOEZISXST-AWEZNQCLSA-N 0 1 375.542 3.009 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CCC(F)(F)F)CC2)c1C ZINC000173059659 1426326834 /nfs/dbraw/zinc/32/68/34/1426326834.db2.gz SHOABGPSWNVMQG-UHFFFAOYSA-N 0 1 387.446 3.472 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1-c1nn[n-]n1 ZINC000821707928 1426334942 /nfs/dbraw/zinc/33/49/42/1426334942.db2.gz IDCHTKAEZAKAHL-ZDUSSCGKSA-N 0 1 383.452 3.052 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000173085009 1426335805 /nfs/dbraw/zinc/33/58/05/1426335805.db2.gz QWDQFCCDNDOPIL-GOSISDBHSA-N 0 1 380.448 3.245 20 0 GGADMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173085117 1426335858 /nfs/dbraw/zinc/33/58/58/1426335858.db2.gz BXCIWNGQVNQKQB-IBGZPJMESA-N 0 1 381.476 3.124 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)CCO2)n[nH]1 ZINC000173086385 1426336227 /nfs/dbraw/zinc/33/62/27/1426336227.db2.gz PAJLMKRKAOKLKQ-FOIQADDNSA-N 0 1 392.459 3.148 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)CCO2)n[nH]1 ZINC000173086380 1426336408 /nfs/dbraw/zinc/33/64/08/1426336408.db2.gz PAJLMKRKAOKLKQ-QRWLVFNGSA-N 0 1 392.459 3.148 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000173085342 1426336432 /nfs/dbraw/zinc/33/64/32/1426336432.db2.gz JPGSDZMJNOMOHH-HXUWFJFHSA-N 0 1 395.503 3.429 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)c3ccc(OCC4CCCCC4)cc3)CCO2)n[nH]1 ZINC000173088695 1426337856 /nfs/dbraw/zinc/33/78/56/1426337856.db2.gz PGTUUDVQHXMHRH-IBGZPJMESA-N 0 1 384.480 3.286 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)c3csc(-c4ccc(C)cc4C)n3)CCO2)n[nH]1 ZINC000173095312 1426339335 /nfs/dbraw/zinc/33/93/35/1426339335.db2.gz RUQLJLSQGDLYJE-INIZCTEOSA-N 0 1 397.504 3.321 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)CCO2)n[nH]1 ZINC000173097621 1426340872 /nfs/dbraw/zinc/34/08/72/1426340872.db2.gz VEJOSIPBXSEUDH-NFAWXSAZSA-N 0 1 394.397 3.090 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)c3ccc(OC4CCCCC4)cc3)CCO2)n[nH]1 ZINC000173098798 1426340953 /nfs/dbraw/zinc/34/09/53/1426340953.db2.gz GWUVNLORLZLSHC-SFHVURJKSA-N 0 1 384.480 3.292 20 0 GGADMN CC(C)(c1nnc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)s1)c1ccccc1 ZINC000173102292 1426342658 /nfs/dbraw/zinc/34/26/58/1426342658.db2.gz LWAZFFXEHLFCQY-MRXNPFEDSA-N 0 1 383.521 3.342 20 0 GGADMN Cc1cc(C)c(C)c(OCCC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000173103875 1426343427 /nfs/dbraw/zinc/34/34/27/1426343427.db2.gz LRJVUZPPUOYAQF-UHFFFAOYSA-N 0 1 383.492 3.180 20 0 GGADMN CC(C)N(C)CCNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000173113409 1426348807 /nfs/dbraw/zinc/34/88/07/1426348807.db2.gz LFQRYMZNOGNCAM-UHFFFAOYSA-N 0 1 389.521 3.122 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000173131315 1426355345 /nfs/dbraw/zinc/35/53/45/1426355345.db2.gz OSYZBLDKXQKOMI-RTWAWAEBSA-N 0 1 397.494 3.044 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cn(Cc2cccs2)nn1 ZINC000173132568 1426356048 /nfs/dbraw/zinc/35/60/48/1426356048.db2.gz WLTMMZZDOJKJFU-INIZCTEOSA-N 0 1 387.534 3.016 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)ccc1-n1cncn1 ZINC000173146020 1426364458 /nfs/dbraw/zinc/36/44/58/1426364458.db2.gz ABBKVLDRIPVLTD-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173157533 1426370030 /nfs/dbraw/zinc/37/00/30/1426370030.db2.gz UBVIWSXSIAHEMF-INIZCTEOSA-N 0 1 381.542 3.207 20 0 GGADMN CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000173158662 1426370511 /nfs/dbraw/zinc/37/05/11/1426370511.db2.gz MTLBRFONDGWCGW-KRWDZBQOSA-N 0 1 393.553 3.255 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000173162584 1426371947 /nfs/dbraw/zinc/37/19/47/1426371947.db2.gz GBJMENRRGRVSQN-YJBOKZPZSA-N 0 1 389.471 3.204 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000823821554 1426378194 /nfs/dbraw/zinc/37/81/94/1426378194.db2.gz WRLAWGCOFYSGTM-MRXNPFEDSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000823821554 1426378198 /nfs/dbraw/zinc/37/81/98/1426378198.db2.gz WRLAWGCOFYSGTM-MRXNPFEDSA-N 0 1 385.269 3.361 20 0 GGADMN C[C@@H](NC(=O)CCCOCCc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000173176130 1426378453 /nfs/dbraw/zinc/37/84/53/1426378453.db2.gz ANLVCNLCOZNXKK-HXUWFJFHSA-N 0 1 388.552 3.176 20 0 GGADMN C[C@H](NC(=O)CCCOCCc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000173176119 1426378608 /nfs/dbraw/zinc/37/86/08/1426378608.db2.gz ANLVCNLCOZNXKK-FQEVSTJZSA-N 0 1 388.552 3.176 20 0 GGADMN C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)C1(N2CCOCC2)CCCC1 ZINC000173178083 1426379605 /nfs/dbraw/zinc/37/96/05/1426379605.db2.gz GURSODHGZKPUGH-OAHLLOKOSA-N 0 1 379.570 3.133 20 0 GGADMN CCOc1cccc([C@H](C)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)c1 ZINC000173195297 1426386004 /nfs/dbraw/zinc/38/60/04/1426386004.db2.gz DPUBQNOUZBACFB-GUYCJALGSA-N 0 1 388.489 3.390 20 0 GGADMN CCOc1cccc([C@@H](C)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)c1 ZINC000173195286 1426386360 /nfs/dbraw/zinc/38/63/60/1426386360.db2.gz DPUBQNOUZBACFB-DYVFJYSZSA-N 0 1 388.489 3.390 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)nc1)N(CCN1CCCC1)c1ccccc1 ZINC000173199634 1426388944 /nfs/dbraw/zinc/38/89/44/1426388944.db2.gz VOCAXYHAJKWGDD-UHFFFAOYSA-N 0 1 379.913 3.167 20 0 GGADMN CC[C@H](O)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820932314 1426391237 /nfs/dbraw/zinc/39/12/37/1426391237.db2.gz MTYLLMBGGXJRGG-SFHVURJKSA-N 0 1 381.480 3.086 20 0 GGADMN COc1cc(NC(=O)CCN(C)Cc2c(C)noc2C)c(OC)cc1Cl ZINC000173204106 1426392127 /nfs/dbraw/zinc/39/21/27/1426392127.db2.gz OSCBZYRAXOCHMT-UHFFFAOYSA-N 0 1 381.860 3.423 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000173207234 1426394493 /nfs/dbraw/zinc/39/44/93/1426394493.db2.gz BWTLLOXPAOFSEQ-FQEVSTJZSA-N 0 1 381.476 3.408 20 0 GGADMN Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173212188 1426397265 /nfs/dbraw/zinc/39/72/65/1426397265.db2.gz RCGAVIPVKDXSSQ-MRXNPFEDSA-N 0 1 387.549 3.297 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)cc2s1 ZINC000173214725 1426398304 /nfs/dbraw/zinc/39/83/04/1426398304.db2.gz PYYOWBONYSIUID-OAHLLOKOSA-N 0 1 398.532 3.005 20 0 GGADMN O=C(Nc1ccc(SC2CCCC2)cc1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173214792 1426398729 /nfs/dbraw/zinc/39/87/29/1426398729.db2.gz YGKHZSVTBNSFPA-QGZVFWFLSA-N 0 1 385.533 3.133 20 0 GGADMN O=C(CN(C[C@H]1CCOC1)C1CC1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000173215579 1426398911 /nfs/dbraw/zinc/39/89/11/1426398911.db2.gz WPNOVBZZFLLFAQ-OAHLLOKOSA-N 0 1 389.496 3.312 20 0 GGADMN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c(C)c1 ZINC000173219357 1426400610 /nfs/dbraw/zinc/40/06/10/1426400610.db2.gz LSILFRZYJZUXIH-IRXDYDNUSA-N 0 1 387.549 3.297 20 0 GGADMN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c(C)c1 ZINC000173219388 1426401937 /nfs/dbraw/zinc/40/19/37/1426401937.db2.gz LSILFRZYJZUXIH-DLBZAZTESA-N 0 1 387.549 3.297 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000822192896 1426403579 /nfs/dbraw/zinc/40/35/79/1426403579.db2.gz DZRIDYHGWMRUIW-RHSMWYFYSA-N 0 1 383.525 3.435 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000822192896 1426403600 /nfs/dbraw/zinc/40/36/00/1426403600.db2.gz DZRIDYHGWMRUIW-RHSMWYFYSA-N 0 1 383.525 3.435 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000822192896 1426403603 /nfs/dbraw/zinc/40/36/03/1426403603.db2.gz DZRIDYHGWMRUIW-RHSMWYFYSA-N 0 1 383.525 3.435 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)N3CCc4ccccc43)ccc2NC1=O ZINC000173222740 1426406043 /nfs/dbraw/zinc/40/60/43/1426406043.db2.gz MKMRWOIRAJFIQN-AVYPCKFXSA-N 0 1 393.487 3.425 20 0 GGADMN C[C@H]([NH2+]CCOc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824599992 1426407592 /nfs/dbraw/zinc/40/75/92/1426407592.db2.gz VKMXIDJOZRQNDH-LBPRGKRZSA-N 0 1 388.269 3.359 20 0 GGADMN C[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2sccc2C1 ZINC000824426522 1426412705 /nfs/dbraw/zinc/41/27/05/1426412705.db2.gz GWWBCNZDEWYQRY-LIRRHRJNSA-N 0 1 394.548 3.342 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3ccccc3C)ccc2NC1=O ZINC000173228613 1426413698 /nfs/dbraw/zinc/41/36/98/1426413698.db2.gz JRYDBPGMGWMBDK-FTRWYGJKSA-N 0 1 395.503 3.460 20 0 GGADMN CN(C)C(=O)c1cccc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000173232063 1426418014 /nfs/dbraw/zinc/41/80/14/1426418014.db2.gz HGQRDKIQXCGTBW-JOCHJYFZSA-N 0 1 393.531 3.102 20 0 GGADMN Cc1cccc([C@@H]2CCCN2CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000173238088 1426422731 /nfs/dbraw/zinc/42/27/31/1426422731.db2.gz UNKLUYGIMWKZBZ-UWJYYQICSA-N 0 1 397.494 3.265 20 0 GGADMN Cc1cccc([C@H]2CCCN2CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000173238103 1426423026 /nfs/dbraw/zinc/42/30/26/1426423026.db2.gz UNKLUYGIMWKZBZ-LAUBAEHRSA-N 0 1 397.494 3.265 20 0 GGADMN CC[C@](C)(NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1nc(C)cs1 ZINC000173238041 1426423031 /nfs/dbraw/zinc/42/30/31/1426423031.db2.gz FRCITVMSOTWZGQ-NRFANRHFSA-N 0 1 386.565 3.254 20 0 GGADMN COc1ccc(OC)c(-c2csc(NC(=O)CN(C)[C@@H](C)C3CC3)n2)c1 ZINC000173252164 1426432000 /nfs/dbraw/zinc/43/20/00/1426432000.db2.gz RWLOYWGTBUSVNP-LBPRGKRZSA-N 0 1 375.494 3.496 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820656193 1426432116 /nfs/dbraw/zinc/43/21/16/1426432116.db2.gz DUKIVBJNASCKBB-KXBFYZLASA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820656193 1426432118 /nfs/dbraw/zinc/43/21/18/1426432118.db2.gz DUKIVBJNASCKBB-KXBFYZLASA-N 0 1 391.479 3.041 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820656193 1426432119 /nfs/dbraw/zinc/43/21/19/1426432119.db2.gz DUKIVBJNASCKBB-KXBFYZLASA-N 0 1 391.479 3.041 20 0 GGADMN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCN(CC2CCOCC2)CC1 ZINC000173258771 1426437551 /nfs/dbraw/zinc/43/75/51/1426437551.db2.gz IXVLPZUUDLIYDA-UHFFFAOYSA-N 0 1 396.491 3.450 20 0 GGADMN Cc1csc([C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C2CC2)n1 ZINC000173259146 1426437740 /nfs/dbraw/zinc/43/77/40/1426437740.db2.gz FUYBWEMEVOBYEK-FQEVSTJZSA-N 0 1 384.549 3.231 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(CN3CCN(C)CC3)c2)c2ccc(F)cc2O1 ZINC000173260818 1426439611 /nfs/dbraw/zinc/43/96/11/1426439611.db2.gz NKXRZBFWADHKQW-INIZCTEOSA-N 0 1 383.467 3.001 20 0 GGADMN Cc1cnc([C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C2CC2)s1 ZINC000173262379 1426441029 /nfs/dbraw/zinc/44/10/29/1426441029.db2.gz RXWSZHJERSDEJJ-LJQANCHMSA-N 0 1 384.549 3.080 20 0 GGADMN Cc1cnc([C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C2CC2)s1 ZINC000173262392 1426441433 /nfs/dbraw/zinc/44/14/33/1426441433.db2.gz RXWSZHJERSDEJJ-IBGZPJMESA-N 0 1 384.549 3.080 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826190070 1426450207 /nfs/dbraw/zinc/45/02/07/1426450207.db2.gz OVRRYQQGRAJFAH-OLZOCXBDSA-N 0 1 398.467 3.071 20 0 GGADMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853981 1426457918 /nfs/dbraw/zinc/45/79/18/1426457918.db2.gz QUIYRLNQMIBUIE-UHOSZYNNSA-N 0 1 396.539 3.162 20 0 GGADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000173280289 1426458300 /nfs/dbraw/zinc/45/83/00/1426458300.db2.gz JVMDBAQNLQYJPR-OAHLLOKOSA-N 0 1 398.956 3.128 20 0 GGADMN CN(CCCc1cc(-c2ccccc2)no1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173281476 1426459151 /nfs/dbraw/zinc/45/91/51/1426459151.db2.gz XGNVTEMJVUXBCF-HXUWFJFHSA-N 0 1 393.491 3.135 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1nccc(C)c1-c1nn[n-]n1)c1cccc(OC)c1 ZINC000825412101 1426463955 /nfs/dbraw/zinc/46/39/55/1426463955.db2.gz KCZMESBTRXHFMF-KRWDZBQOSA-N 0 1 381.484 3.074 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173297259 1426478303 /nfs/dbraw/zinc/47/83/03/1426478303.db2.gz WICSXIZNXTVMKQ-GJZGRUSLSA-N 0 1 390.505 3.120 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)OCCO2 ZINC000173297288 1426478471 /nfs/dbraw/zinc/47/84/71/1426478471.db2.gz WICSXIZNXTVMKQ-LSDHHAIUSA-N 0 1 390.505 3.120 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173297273 1426478876 /nfs/dbraw/zinc/47/88/76/1426478876.db2.gz WICSXIZNXTVMKQ-CABCVRRESA-N 0 1 390.505 3.120 20 0 GGADMN COc1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000173300352 1426481642 /nfs/dbraw/zinc/48/16/42/1426481642.db2.gz ONHVQGCSHXHPSV-KBPBESRZSA-N 0 1 380.485 3.496 20 0 GGADMN COc1sc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc1Br ZINC000826222025 1426483416 /nfs/dbraw/zinc/48/34/16/1426483416.db2.gz FBAVURXDELFQII-UHFFFAOYSA-N 0 1 398.261 3.128 20 0 GGADMN C[C@H](NCc1ccccc1Cn1cccn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173302703 1426483731 /nfs/dbraw/zinc/48/37/31/1426483731.db2.gz VZAZBVJLIKBODK-KRWDZBQOSA-N 0 1 398.532 3.033 20 0 GGADMN C[C@H]1CN(C(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000173302310 1426484410 /nfs/dbraw/zinc/48/44/10/1426484410.db2.gz GGHFIVXOKBUPTB-PMACEKPBSA-N 0 1 396.531 3.096 20 0 GGADMN CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000820111638 1426485536 /nfs/dbraw/zinc/48/55/36/1426485536.db2.gz DISVYSXJMYBPPV-UHFFFAOYSA-N 0 1 384.415 3.077 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccn(Cc2ccncc2)n1 ZINC000173304417 1426486059 /nfs/dbraw/zinc/48/60/59/1426486059.db2.gz RCAABVMDQIRLRD-SFHVURJKSA-N 0 1 394.479 3.268 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[nH+]1 ZINC000826274474 1426489395 /nfs/dbraw/zinc/48/93/95/1426489395.db2.gz SJKLGDAIAQTVMQ-DTORHVGOSA-N 0 1 380.296 3.137 20 0 GGADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)C(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000173307659 1426490286 /nfs/dbraw/zinc/49/02/86/1426490286.db2.gz ZHQOTMXAUPUYGK-UHFFFAOYSA-N 0 1 395.438 3.163 20 0 GGADMN C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820299370 1426495127 /nfs/dbraw/zinc/49/51/27/1426495127.db2.gz FVFARXUGFVTNIB-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN Cc1ccc([C@@H](C)[N@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822229522 1426495983 /nfs/dbraw/zinc/49/59/83/1426495983.db2.gz WJNJESBMRHTQEZ-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822229522 1426495987 /nfs/dbraw/zinc/49/59/87/1426495987.db2.gz WJNJESBMRHTQEZ-CQSZACIVSA-N 0 1 375.436 3.418 20 0 GGADMN COc1cc(Cn2cc[nH+]c2C)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737048169 1426499191 /nfs/dbraw/zinc/49/91/91/1426499191.db2.gz XGQVFQNFWDUHNM-UHFFFAOYSA-N 0 1 376.420 3.008 20 0 GGADMN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000173332546 1426513955 /nfs/dbraw/zinc/51/39/55/1426513955.db2.gz IHBFWTOHIIXDJT-GHTZIAJQSA-N 0 1 396.510 3.343 20 0 GGADMN COc1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1OC ZINC000173351866 1426528374 /nfs/dbraw/zinc/52/83/74/1426528374.db2.gz PDADXMMTUFYKNK-OXQOHEQNSA-N 0 1 398.503 3.463 20 0 GGADMN c1ccc(-c2noc(CC[N@@H+]3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)cc1 ZINC000823868351 1426529078 /nfs/dbraw/zinc/52/90/78/1426529078.db2.gz XLXGRPAZQOHLGW-UHFFFAOYSA-N 0 1 399.458 3.249 20 0 GGADMN CCC(CC)c1cc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)on1 ZINC000173357343 1426531819 /nfs/dbraw/zinc/53/18/19/1426531819.db2.gz XHBMKIVHEOBMLA-UHFFFAOYSA-N 0 1 392.544 3.413 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CC[C@H](CC(C)C)C2)N(C)C)cc1OC ZINC000173364329 1426538529 /nfs/dbraw/zinc/53/85/29/1426538529.db2.gz STEDVYFDFVHAIS-SJLPKXTDSA-N 0 1 377.529 3.384 20 0 GGADMN CC[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000825148770 1426538523 /nfs/dbraw/zinc/53/85/23/1426538523.db2.gz UCIBJAYJKPFBAN-RTWAWAEBSA-N 0 1 393.491 3.493 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(CN2CCN(C)CC2)c1)Sc1ccccc1 ZINC000173365633 1426539103 /nfs/dbraw/zinc/53/91/03/1426539103.db2.gz DLOZJISVTNCEGL-SFHVURJKSA-N 0 1 383.561 3.345 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173378376 1426551715 /nfs/dbraw/zinc/55/17/15/1426551715.db2.gz ZLQOLQUFCCLVSE-KGLIPLIRSA-N 0 1 378.494 3.024 20 0 GGADMN C[C@@H](CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1)N1CCc2ccccc2C1 ZINC000173379674 1426552721 /nfs/dbraw/zinc/55/27/21/1426552721.db2.gz DQFKKQKAPAHRIW-KRWDZBQOSA-N 0 1 391.515 3.141 20 0 GGADMN C[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736297387 1426556127 /nfs/dbraw/zinc/55/61/27/1426556127.db2.gz LQYFXKJRXYGHLL-ZDUSSCGKSA-N 0 1 396.882 3.296 20 0 GGADMN O=C(CC[N@H+]1CCCCC[C@H]1c1ccco1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964848 1426562570 /nfs/dbraw/zinc/56/25/70/1426562570.db2.gz QYJKIUJKXNOKBH-KRWDZBQOSA-N 0 1 380.452 3.406 20 0 GGADMN CC(C)(C)OC(=O)CCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000173386431 1426564072 /nfs/dbraw/zinc/56/40/72/1426564072.db2.gz BBDCGAVCSRPZAA-UHFFFAOYSA-N 0 1 395.931 3.335 20 0 GGADMN C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735985819 1426567803 /nfs/dbraw/zinc/56/78/03/1426567803.db2.gz NNIDJHJONFIEFD-CQSZACIVSA-N 0 1 395.467 3.121 20 0 GGADMN COc1ccccc1[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826218732 1426583663 /nfs/dbraw/zinc/58/36/63/1426583663.db2.gz JQENDMNRFXKTNP-UZLBHIALSA-N 0 1 392.507 3.363 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@H](C)CCc1cccn1C)N1CCCC1 ZINC000173401880 1426586244 /nfs/dbraw/zinc/58/62/44/1426586244.db2.gz PNOGLAQSBBEQAG-NQIIRXRSSA-N 0 1 398.551 3.491 20 0 GGADMN CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC000824161917 1426590306 /nfs/dbraw/zinc/59/03/06/1426590306.db2.gz ARXXLYMIIGKUMO-UHFFFAOYSA-N 0 1 392.385 3.228 20 0 GGADMN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(Cl)c1 ZINC000173415307 1426598601 /nfs/dbraw/zinc/59/86/01/1426598601.db2.gz IOSAVVKBBFAQES-SFHVURJKSA-N 0 1 396.940 3.194 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000824568707 1426605262 /nfs/dbraw/zinc/60/52/62/1426605262.db2.gz CENUGRVIYFXFLP-ZBEGNZNMSA-N 0 1 393.369 3.150 20 0 GGADMN COC1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000826146383 1426605299 /nfs/dbraw/zinc/60/52/99/1426605299.db2.gz VEBBGAPGCBOOEM-UHFFFAOYSA-N 0 1 380.290 3.019 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(SC)cc2)c1 ZINC000173426214 1426607577 /nfs/dbraw/zinc/60/75/77/1426607577.db2.gz YVSSNBMRBVYUAL-OAHLLOKOSA-N 0 1 394.562 3.184 20 0 GGADMN Cc1csc(C(C)(C)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000173430481 1426612466 /nfs/dbraw/zinc/61/24/66/1426612466.db2.gz WEPOKKWMCFWFEZ-UHFFFAOYSA-N 0 1 390.528 3.154 20 0 GGADMN C[C@H](N[C@@H](CCCO)c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173439079 1426619187 /nfs/dbraw/zinc/61/91/87/1426619187.db2.gz SAQWDBGQVSMWTA-JXFKEZNVSA-N 0 1 376.522 3.101 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000173440328 1426620439 /nfs/dbraw/zinc/62/04/39/1426620439.db2.gz KVUXVWSGHHHAJJ-KRWDZBQOSA-N 0 1 389.515 3.070 20 0 GGADMN CN(C(=O)CN1CCC(CN2CCCCC2=O)CC1)[C@H]1CCCc2ccccc21 ZINC000173439914 1426620773 /nfs/dbraw/zinc/62/07/73/1426620773.db2.gz GJOKGZZTGLZPIW-QFIPXVFZSA-N 0 1 397.563 3.247 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000173440340 1426620825 /nfs/dbraw/zinc/62/08/25/1426620825.db2.gz KVUXVWSGHHHAJJ-QGZVFWFLSA-N 0 1 389.515 3.070 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(CN2CCCCC2=O)CC1 ZINC000173439838 1426620842 /nfs/dbraw/zinc/62/08/42/1426620842.db2.gz ZZRUGALPSGWXEO-SFHVURJKSA-N 0 1 383.536 3.079 20 0 GGADMN CCC[C@@H](NC(=O)CN1CCC(CN2CCCCC2=O)CC1)c1ccccc1 ZINC000173439884 1426620904 /nfs/dbraw/zinc/62/09/04/1426620904.db2.gz YZBYGFMPWZVIJG-OAQYLSRUSA-N 0 1 385.552 3.369 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419432 1426623723 /nfs/dbraw/zinc/62/37/23/1426623723.db2.gz PGOZGMPMXYQHEN-UHFFFAOYSA-N 0 1 397.527 3.233 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419432 1426623732 /nfs/dbraw/zinc/62/37/32/1426623732.db2.gz PGOZGMPMXYQHEN-UHFFFAOYSA-N 0 1 397.527 3.233 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1)CC1CC1 ZINC000825419432 1426623739 /nfs/dbraw/zinc/62/37/39/1426623739.db2.gz PGOZGMPMXYQHEN-UHFFFAOYSA-N 0 1 397.527 3.233 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC(CN2CCCCC2=O)CC1 ZINC000173445392 1426624530 /nfs/dbraw/zinc/62/45/30/1426624530.db2.gz VJWHQLDGGUEFHS-FQEVSTJZSA-N 0 1 387.524 3.137 20 0 GGADMN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(CN2CCCCC2=O)CC1 ZINC000173445266 1426624779 /nfs/dbraw/zinc/62/47/79/1426624779.db2.gz ZWZHSTYSAVNLGC-INIZCTEOSA-N 0 1 391.943 3.069 20 0 GGADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000822016396 1426630081 /nfs/dbraw/zinc/63/00/81/1426630081.db2.gz ZVEJDBQNUYCJBF-UHFFFAOYSA-N 0 1 393.495 3.086 20 0 GGADMN Fc1cccc(CCC[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826376673 1426642869 /nfs/dbraw/zinc/64/28/69/1426642869.db2.gz NPLWYAAHESOQOM-UHFFFAOYSA-N 0 1 394.498 3.193 20 0 GGADMN CCCn1ccc2ccc(NC(=O)N3CC[C@H](N4CCN(CC)CC4)C3)cc21 ZINC000173472676 1426647109 /nfs/dbraw/zinc/64/71/09/1426647109.db2.gz SYFHQPKFVZMXDV-FQEVSTJZSA-N 0 1 383.540 3.295 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccnc1NC(C)C ZINC000173476022 1426650647 /nfs/dbraw/zinc/65/06/47/1426650647.db2.gz CDAVSDKRSXUUCY-UHFFFAOYSA-N 0 1 397.523 3.305 20 0 GGADMN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2nnc3ccccc3c2O)cc1 ZINC000173478062 1426652349 /nfs/dbraw/zinc/65/23/49/1426652349.db2.gz YQISCIPBLOFUJT-IIBYNOLFSA-N 0 1 377.444 3.129 20 0 GGADMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2nnc3ccccc3c2O)cc1 ZINC000173478079 1426652414 /nfs/dbraw/zinc/65/24/14/1426652414.db2.gz YQISCIPBLOFUJT-IERDGZPVSA-N 0 1 377.444 3.129 20 0 GGADMN CC[C@@](C)(NC[C@H](O)COc1ccc(C(C)=O)cc1OC)c1nccs1 ZINC000173499394 1426669054 /nfs/dbraw/zinc/66/90/54/1426669054.db2.gz GQCPMNVPFGYKJW-HNAYVOBHSA-N 0 1 378.494 3.009 20 0 GGADMN CC[C@](C)(NC[C@H](O)COc1ccc(C(C)=O)cc1OC)c1nccs1 ZINC000173499377 1426669093 /nfs/dbraw/zinc/66/90/93/1426669093.db2.gz GQCPMNVPFGYKJW-KXBFYZLASA-N 0 1 378.494 3.009 20 0 GGADMN CC(C)[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000820120410 1426673507 /nfs/dbraw/zinc/67/35/07/1426673507.db2.gz FBPUFHVXEYWQOU-UHFFFAOYSA-N 0 1 393.426 3.065 20 0 GGADMN CC(C)[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000820120410 1426673511 /nfs/dbraw/zinc/67/35/11/1426673511.db2.gz FBPUFHVXEYWQOU-UHFFFAOYSA-N 0 1 393.426 3.065 20 0 GGADMN CC[C@](C)(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1nccs1 ZINC000173509622 1426679124 /nfs/dbraw/zinc/67/91/24/1426679124.db2.gz AFNGWWLQTBKIJC-FQEVSTJZSA-N 0 1 390.528 3.236 20 0 GGADMN Cc1cccc([C@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)[NH+]2CCOCC2)c1 ZINC000737387958 1426681168 /nfs/dbraw/zinc/68/11/68/1426681168.db2.gz IWWBISIBHXGFRJ-IBGZPJMESA-N 0 1 398.898 3.314 20 0 GGADMN CC[N@H+](Cc1c([O-])nnn1-c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000173512973 1426683379 /nfs/dbraw/zinc/68/33/79/1426683379.db2.gz IMOHIWQHCWQMOP-UHFFFAOYSA-N 0 1 392.507 3.106 20 0 GGADMN Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(OC[C@H]2CCOC2)c1 ZINC000822238396 1426684714 /nfs/dbraw/zinc/68/47/14/1426684714.db2.gz GIRKIBTVJUXCHZ-HNNXBMFYSA-N 0 1 397.454 3.019 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1OCc1ccncc1 ZINC000825975902 1426686167 /nfs/dbraw/zinc/68/61/67/1426686167.db2.gz ASQSWQZOJISJSI-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN C[C@@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccccc2)CO1 ZINC000820760634 1426693657 /nfs/dbraw/zinc/69/36/57/1426693657.db2.gz RHLIUZAEXBPXKN-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccccc2)CO1 ZINC000820760634 1426693662 /nfs/dbraw/zinc/69/36/62/1426693662.db2.gz RHLIUZAEXBPXKN-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)C ZINC000825419190 1426696558 /nfs/dbraw/zinc/69/65/58/1426696558.db2.gz KGJQKKQFEISRLN-UHFFFAOYSA-N 0 1 384.528 3.087 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419190 1426696561 /nfs/dbraw/zinc/69/65/61/1426696561.db2.gz KGJQKKQFEISRLN-UHFFFAOYSA-N 0 1 384.528 3.087 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419190 1426696566 /nfs/dbraw/zinc/69/65/66/1426696566.db2.gz KGJQKKQFEISRLN-UHFFFAOYSA-N 0 1 384.528 3.087 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC(CC(=O)N4CCCC4)CC3)C2=O)cc1 ZINC000173526766 1426699874 /nfs/dbraw/zinc/69/98/74/1426699874.db2.gz AIZYKUHKKKOIEL-NRFANRHFSA-N 0 1 383.536 3.215 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N3CCC(CC(=O)N4CCCC4)CC3)C2=O)cc1 ZINC000173526780 1426700331 /nfs/dbraw/zinc/70/03/31/1426700331.db2.gz AIZYKUHKKKOIEL-OAQYLSRUSA-N 0 1 383.536 3.215 20 0 GGADMN C[C@H]1CCN(C(=O)CSC[C@@H]2CCCCO2)CCN1Cc1ccccc1 ZINC000173528174 1426701221 /nfs/dbraw/zinc/70/12/21/1426701221.db2.gz GDVVVOUOOXNYKB-ICSRJNTNSA-N 0 1 376.566 3.412 20 0 GGADMN COCc1cccc(S(=O)(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000173531855 1426705762 /nfs/dbraw/zinc/70/57/62/1426705762.db2.gz JDBWORJAYZWZQO-HXUWFJFHSA-N 0 1 388.533 3.118 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736227377 1426708796 /nfs/dbraw/zinc/70/87/96/1426708796.db2.gz CSTGBIRVGHOFKG-JOCHJYFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227377 1426708800 /nfs/dbraw/zinc/70/88/00/1426708800.db2.gz CSTGBIRVGHOFKG-JOCHJYFZSA-N 0 1 390.491 3.249 20 0 GGADMN C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227377 1426708805 /nfs/dbraw/zinc/70/88/05/1426708805.db2.gz CSTGBIRVGHOFKG-JOCHJYFZSA-N 0 1 390.491 3.249 20 0 GGADMN O=C(Nc1cnn(CC(F)F)c1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000173533837 1426708957 /nfs/dbraw/zinc/70/89/57/1426708957.db2.gz HBJPEPFEKYMEOH-UHFFFAOYSA-N 0 1 383.305 3.392 20 0 GGADMN COC(=O)CCN(Cn1cc(-c2ccccc2)n(C)c1=S)C1CCOCC1 ZINC000173534247 1426710612 /nfs/dbraw/zinc/71/06/12/1426710612.db2.gz GOXAJEPYPDIVAS-UHFFFAOYSA-N 0 1 389.521 3.225 20 0 GGADMN Cc1cc2cc(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)oc2cc1C ZINC000173544919 1426717874 /nfs/dbraw/zinc/71/78/74/1426717874.db2.gz GYRIIFYHSYLBSD-UHFFFAOYSA-N 0 1 378.476 3.126 20 0 GGADMN CCCCN(C)C(=O)C1CCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000173548967 1426721903 /nfs/dbraw/zinc/72/19/03/1426721903.db2.gz OBMOJAFGSRLUKG-NRFANRHFSA-N 0 1 385.552 3.461 20 0 GGADMN CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825067958 1426721966 /nfs/dbraw/zinc/72/19/66/1426721966.db2.gz OEGQEOJALVLXIK-UONOGXRCSA-N 0 1 396.470 3.385 20 0 GGADMN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nnc3ccccc3c2O)cc1 ZINC000173554681 1426726695 /nfs/dbraw/zinc/72/66/95/1426726695.db2.gz RWTOELNKCINXAT-SFHVURJKSA-N 0 1 391.471 3.095 20 0 GGADMN COC(=O)c1ccc(OCCN2CCC[C@@H](c3nc(C)no3)C2)c(Cl)c1 ZINC000173562469 1426731940 /nfs/dbraw/zinc/73/19/40/1426731940.db2.gz FQCIXGGRJQXXFT-CQSZACIVSA-N 0 1 379.844 3.076 20 0 GGADMN COC(=O)c1ccc(OCCN2CCC[C@H](c3nc(C)no3)C2)c(Cl)c1 ZINC000173562483 1426731975 /nfs/dbraw/zinc/73/19/75/1426731975.db2.gz FQCIXGGRJQXXFT-AWEZNQCLSA-N 0 1 379.844 3.076 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccc(F)cc1OCC1CC1)N1CCN(C)CC1 ZINC000173563230 1426732192 /nfs/dbraw/zinc/73/21/92/1426732192.db2.gz NYWSJZOUZDIZOX-IBGZPJMESA-N 0 1 392.519 3.008 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000173563853 1426732997 /nfs/dbraw/zinc/73/29/97/1426732997.db2.gz IETCJTOWJIUJTO-NHCUHLMSSA-N 0 1 396.539 3.249 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000173563838 1426733170 /nfs/dbraw/zinc/73/31/70/1426733170.db2.gz IETCJTOWJIUJTO-SFTDATJTSA-N 0 1 396.539 3.249 20 0 GGADMN CCOCC[N@@H+](CC)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825594273 1426734078 /nfs/dbraw/zinc/73/40/78/1426734078.db2.gz JHBXBVCFUPEACD-UHFFFAOYSA-N 0 1 381.480 3.304 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000173566025 1426734663 /nfs/dbraw/zinc/73/46/63/1426734663.db2.gz DQAYENVWYIODRD-FPOVZHCZSA-N 0 1 396.539 3.330 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826503081 1426763047 /nfs/dbraw/zinc/76/30/47/1426763047.db2.gz QGZCCEDZBDFYAM-IEBWSBKVSA-N 0 1 385.418 3.233 20 0 GGADMN Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000822194990 1426765519 /nfs/dbraw/zinc/76/55/19/1426765519.db2.gz CLEDFFGIDXOLKG-INIZCTEOSA-N 0 1 377.496 3.096 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820432884 1426770528 /nfs/dbraw/zinc/77/05/28/1426770528.db2.gz TTZDKVGMHUZVKC-AWEZNQCLSA-N 0 1 376.464 3.456 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000173601586 1426772072 /nfs/dbraw/zinc/77/20/72/1426772072.db2.gz XEPWSFHRPLMSTN-NRFANRHFSA-N 0 1 391.531 3.147 20 0 GGADMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000173601806 1426772544 /nfs/dbraw/zinc/77/25/44/1426772544.db2.gz INIPUAGUAGZRID-UTKZUKDTSA-N 0 1 391.531 3.288 20 0 GGADMN CC(C)C[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)C1 ZINC000820062886 1426775732 /nfs/dbraw/zinc/77/57/32/1426775732.db2.gz RGUOTVQUIDBGAZ-SFHVURJKSA-N 0 1 384.528 3.177 20 0 GGADMN CC(C)C[C@H]1CC(=O)N(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)C1 ZINC000820062886 1426775733 /nfs/dbraw/zinc/77/57/33/1426775733.db2.gz RGUOTVQUIDBGAZ-SFHVURJKSA-N 0 1 384.528 3.177 20 0 GGADMN Cc1cccc2c(NCCCc3nc4ccccc4n3C)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822334739 1426778558 /nfs/dbraw/zinc/77/85/58/1426778558.db2.gz FPXJHMXHMIDZII-UHFFFAOYSA-N 0 1 398.474 3.077 20 0 GGADMN C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824442898 1426780322 /nfs/dbraw/zinc/78/03/22/1426780322.db2.gz YSRVIUUDNGEJRL-MNOVXSKESA-N 0 1 377.370 3.402 20 0 GGADMN CC[N@@H+](Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1)C1CC1 ZINC000736559504 1426783058 /nfs/dbraw/zinc/78/30/58/1426783058.db2.gz YSLNSEFSKKYBFS-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN CC[N@H+](Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1)C1CC1 ZINC000736559504 1426783064 /nfs/dbraw/zinc/78/30/64/1426783064.db2.gz YSLNSEFSKKYBFS-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN CC[N@@H+](Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1)C1CC1 ZINC000736559504 1426783067 /nfs/dbraw/zinc/78/30/67/1426783067.db2.gz YSLNSEFSKKYBFS-UHFFFAOYSA-N 0 1 379.464 3.439 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cccc(-c3nn[n-]n3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885628 1426805282 /nfs/dbraw/zinc/80/52/82/1426805282.db2.gz TXCYYWIWJCBAOR-QFBILLFUSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000824885628 1426805286 /nfs/dbraw/zinc/80/52/86/1426805286.db2.gz TXCYYWIWJCBAOR-QFBILLFUSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cccc(-c3nnn[n-]3)c2F)CC[N@H+]1Cc1ccccc1 ZINC000824885628 1426805289 /nfs/dbraw/zinc/80/52/89/1426805289.db2.gz TXCYYWIWJCBAOR-QFBILLFUSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824909888 1426805448 /nfs/dbraw/zinc/80/54/48/1426805448.db2.gz VQHSMXQASNZSPQ-BZUAXINKSA-N 0 1 377.496 3.257 20 0 GGADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173642198 1426807155 /nfs/dbraw/zinc/80/71/55/1426807155.db2.gz MKDZVTMWBJAOQF-OAHLLOKOSA-N 0 1 386.462 3.187 20 0 GGADMN COc1cccc(CCC[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737131008 1426808138 /nfs/dbraw/zinc/80/81/38/1426808138.db2.gz MAQVVDUFLGOCLD-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN COc1cccc(CCC[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737131008 1426808143 /nfs/dbraw/zinc/80/81/43/1426808143.db2.gz MAQVVDUFLGOCLD-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN COc1cccc(CCC[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737131008 1426808147 /nfs/dbraw/zinc/80/81/47/1426808147.db2.gz MAQVVDUFLGOCLD-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN COc1cc(NC(=O)CN2CC[C@H](COCc3ccccc3)C2)cc(OC)c1 ZINC000173649829 1426810202 /nfs/dbraw/zinc/81/02/02/1426810202.db2.gz DSKHIORLYVXVAB-SFHVURJKSA-N 0 1 384.476 3.181 20 0 GGADMN COc1ccc(NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)cc1OC ZINC000173651700 1426810763 /nfs/dbraw/zinc/81/07/63/1426810763.db2.gz ZBKWLTCFLBLQJZ-GOSISDBHSA-N 0 1 384.476 3.181 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000173655277 1426811532 /nfs/dbraw/zinc/81/15/32/1426811532.db2.gz FEIPBTNLGGMKRW-LJQANCHMSA-N 0 1 381.476 3.122 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[C@H](COCc2ccccc2)C1 ZINC000173656528 1426812029 /nfs/dbraw/zinc/81/20/29/1426812029.db2.gz XDNFUKLVVUNCSM-WMZOPIPTSA-N 0 1 382.460 3.281 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000173658806 1426812695 /nfs/dbraw/zinc/81/26/95/1426812695.db2.gz ZXQHJLRLPPMXGZ-INIZCTEOSA-N 0 1 395.532 3.404 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000173659842 1426812951 /nfs/dbraw/zinc/81/29/51/1426812951.db2.gz ITLBURVMOPTJCT-LJQANCHMSA-N 0 1 382.439 3.257 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000173661214 1426812960 /nfs/dbraw/zinc/81/29/60/1426812960.db2.gz HPRMDAXDKPZRED-KRWDZBQOSA-N 0 1 384.446 3.035 20 0 GGADMN C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824585318 1426815808 /nfs/dbraw/zinc/81/58/08/1426815808.db2.gz PTRPZPFCLYLMPS-WMLDXEAASA-N 0 1 377.448 3.138 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826208718 1426819963 /nfs/dbraw/zinc/81/99/63/1426819963.db2.gz XLIOOUNGKFHEPG-AWEZNQCLSA-N 0 1 398.898 3.378 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826208718 1426819966 /nfs/dbraw/zinc/81/99/66/1426819966.db2.gz XLIOOUNGKFHEPG-AWEZNQCLSA-N 0 1 398.898 3.378 20 0 GGADMN COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826208718 1426819973 /nfs/dbraw/zinc/81/99/73/1426819973.db2.gz XLIOOUNGKFHEPG-AWEZNQCLSA-N 0 1 398.898 3.378 20 0 GGADMN COc1ccc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826193060 1426820002 /nfs/dbraw/zinc/82/00/02/1426820002.db2.gz OEORZMXBEYFFNY-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)N1CCN(C)CC1 ZINC000173683354 1426820405 /nfs/dbraw/zinc/82/04/05/1426820405.db2.gz RNENFOQTKNSJMD-QMMLZNLJSA-N 0 1 390.547 3.190 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)N1CCN(C)CC1 ZINC000173683420 1426820574 /nfs/dbraw/zinc/82/05/74/1426820574.db2.gz BEMOVWLEDFKFDD-NNWRFLSQSA-N 0 1 386.584 3.094 20 0 GGADMN CNC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)cc1Cl ZINC000173687116 1426821202 /nfs/dbraw/zinc/82/12/02/1426821202.db2.gz ZIKZNOUPUYQTDY-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000173693218 1426823149 /nfs/dbraw/zinc/82/31/49/1426823149.db2.gz NMHZMYWVBHTDTI-GOSISDBHSA-N 0 1 397.519 3.033 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@H](C)Cc2ccccc2OC)c1 ZINC000173694925 1426823489 /nfs/dbraw/zinc/82/34/89/1426823489.db2.gz QQZWOJOXHVNHOH-MRXNPFEDSA-N 0 1 384.476 3.292 20 0 GGADMN CC(C)C[N@H+](Cc1cc(-c2nnn[n-]2)ccc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735829590 1426823869 /nfs/dbraw/zinc/82/38/69/1426823869.db2.gz LDOGNOWHHNDNLR-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN O=C(NCC[C@H]1C(=O)Nc2ccccc21)[C@@H]1CCCCN1Cc1ccccc1 ZINC000173697361 1426824189 /nfs/dbraw/zinc/82/41/89/1426824189.db2.gz SYDTYTGIVHCNNB-CTNGQTDRSA-N 0 1 377.488 3.283 20 0 GGADMN COc1ccc2sc(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)c(C)c2c1 ZINC000173706591 1426827087 /nfs/dbraw/zinc/82/70/87/1426827087.db2.gz WPKYZSJTEBUFSW-SFHVURJKSA-N 0 1 389.565 3.220 20 0 GGADMN CN(C(=O)CSC[C@@H]1CCCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173713040 1426828880 /nfs/dbraw/zinc/82/88/80/1426828880.db2.gz NXQRZRVZHGGYHD-PMACEKPBSA-N 0 1 376.566 3.412 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)ccc1OC(C)C ZINC000173722027 1426831268 /nfs/dbraw/zinc/83/12/68/1426831268.db2.gz IMVCYTUURSYIGM-OAQYLSRUSA-N 0 1 397.519 3.323 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000173722527 1426831680 /nfs/dbraw/zinc/83/16/80/1426831680.db2.gz PBBKOMVFASPIMN-UHFFFAOYSA-N 0 1 385.552 3.463 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000173727119 1426832337 /nfs/dbraw/zinc/83/23/37/1426832337.db2.gz OTNKVEGXTZMROA-GOSISDBHSA-N 0 1 384.476 3.402 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000173726209 1426832361 /nfs/dbraw/zinc/83/23/61/1426832361.db2.gz RLSFEYMQIBFCNY-SFHVURJKSA-N 0 1 384.476 3.402 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000173732102 1426833974 /nfs/dbraw/zinc/83/39/74/1426833974.db2.gz HWQKGVPQFNWNIW-XXBNENTESA-N 0 1 388.552 3.409 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000173734494 1426834581 /nfs/dbraw/zinc/83/45/81/1426834581.db2.gz GSNQOXWSPQWNGR-UHFFFAOYSA-N 0 1 378.417 3.251 20 0 GGADMN Cc1cc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)ccc1OC(C)C ZINC000173735384 1426834784 /nfs/dbraw/zinc/83/47/84/1426834784.db2.gz UJGFQQIJGSUPFJ-UHFFFAOYSA-N 0 1 397.523 3.251 20 0 GGADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CCCCCCCO)CC1 ZINC000173738872 1426835681 /nfs/dbraw/zinc/83/56/81/1426835681.db2.gz IZVBXYZZBQDPGX-INIZCTEOSA-N 0 1 378.542 3.420 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000173743854 1426837045 /nfs/dbraw/zinc/83/70/45/1426837045.db2.gz YEVTXHXHLUDBTJ-UHFFFAOYSA-N 0 1 393.491 3.276 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CC2)N1CCc2ccccc2C1 ZINC000173745152 1426837572 /nfs/dbraw/zinc/83/75/72/1426837572.db2.gz WQPNIISBUFMYSY-HNNXBMFYSA-N 0 1 378.476 3.140 20 0 GGADMN CN(C)C(=O)c1cccc(NC(=O)CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000173751284 1426839650 /nfs/dbraw/zinc/83/96/50/1426839650.db2.gz XCUPFKLXHLQLPE-QGZVFWFLSA-N 0 1 397.544 3.441 20 0 GGADMN Cc1ccccc1[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1 ZINC000826305956 1426840930 /nfs/dbraw/zinc/84/09/30/1426840930.db2.gz MVRXYVAJBRKRKG-LJQANCHMSA-N 0 1 387.447 3.466 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)CN(C)CCc3cccs3)cc2)C[C@H](C)O1 ZINC000173757279 1426841510 /nfs/dbraw/zinc/84/15/10/1426841510.db2.gz SDEBLQWMJDQRGD-IRXDYDNUSA-N 0 1 387.549 3.475 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@H](C)CC(C)(C)OC)CC2)cc1 ZINC000173757675 1426841588 /nfs/dbraw/zinc/84/15/88/1426841588.db2.gz VXUSZHLSZWPYKI-QGZVFWFLSA-N 0 1 377.529 3.116 20 0 GGADMN CCc1ccc2c(CN3CCCN(c4nc(C)ns4)CC3)cc(=O)oc2c1 ZINC000173762935 1426843550 /nfs/dbraw/zinc/84/35/50/1426843550.db2.gz IQAXICSDNZRFNA-UHFFFAOYSA-N 0 1 384.505 3.228 20 0 GGADMN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)oc21 ZINC000173764942 1426844101 /nfs/dbraw/zinc/84/41/01/1426844101.db2.gz OPVVHJAWDPKATI-GDBMZVCRSA-N 0 1 382.464 3.411 20 0 GGADMN CCOc1cccc2cc([C@@H](C)N[C@H]3CCN(c4cc(C)nn4C)C3=O)oc21 ZINC000173765145 1426844139 /nfs/dbraw/zinc/84/41/39/1426844139.db2.gz BJDICRPYWYHGPG-ZBFHGGJFSA-N 0 1 382.464 3.330 20 0 GGADMN CC[C@]1(C)CCCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000173777084 1426848010 /nfs/dbraw/zinc/84/80/10/1426848010.db2.gz WNJMRYMCZYOIKW-OAQYLSRUSA-N 0 1 389.565 3.326 20 0 GGADMN CC[C@@]1(C)CCCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000173777100 1426848078 /nfs/dbraw/zinc/84/80/78/1426848078.db2.gz WNJMRYMCZYOIKW-NRFANRHFSA-N 0 1 389.565 3.326 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)c3cc(COC)on3)cc2Cl)CC1 ZINC000173787856 1426851191 /nfs/dbraw/zinc/85/11/91/1426851191.db2.gz LHVOEDBSLCAKMB-UHFFFAOYSA-N 0 1 392.887 3.259 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1OCC ZINC000173802328 1426855489 /nfs/dbraw/zinc/85/54/89/1426855489.db2.gz HZYVKXCPDBXVJO-NVXWUHKLSA-N 0 1 386.496 3.064 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1OCC ZINC000173802357 1426855578 /nfs/dbraw/zinc/85/55/78/1426855578.db2.gz HZYVKXCPDBXVJO-WBVHZDCISA-N 0 1 386.496 3.064 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1 ZINC000173814391 1426858675 /nfs/dbraw/zinc/85/86/75/1426858675.db2.gz JQINNLSRMAQOLX-CABCVRRESA-N 0 1 393.915 3.010 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1 ZINC000173814402 1426858824 /nfs/dbraw/zinc/85/88/24/1426858824.db2.gz JQINNLSRMAQOLX-GJZGRUSLSA-N 0 1 393.915 3.010 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccco1 ZINC000173816225 1426858976 /nfs/dbraw/zinc/85/89/76/1426858976.db2.gz NMOWLWKPNQSYBJ-XLIONFOSSA-N 0 1 391.899 3.277 20 0 GGADMN C[C@@](O)(CNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccco1 ZINC000173816213 1426859073 /nfs/dbraw/zinc/85/90/73/1426859073.db2.gz NMOWLWKPNQSYBJ-YLJYHZDGSA-N 0 1 391.899 3.277 20 0 GGADMN COc1ccc(C)cc1NC(=O)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000173816129 1426859223 /nfs/dbraw/zinc/85/92/23/1426859223.db2.gz IOVVGOAVRJRVLT-SFHVURJKSA-N 0 1 395.503 3.065 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CCN1Cc1ccccc1 ZINC000173817265 1426859638 /nfs/dbraw/zinc/85/96/38/1426859638.db2.gz ILOQTWPMDHKUGV-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@H](C)CCc3cccn3C)CC2)cc1 ZINC000173827568 1426862400 /nfs/dbraw/zinc/86/24/00/1426862400.db2.gz GCJRVCGQBCDPOV-LJQANCHMSA-N 0 1 398.551 3.272 20 0 GGADMN Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 ZINC000173845755 1426868459 /nfs/dbraw/zinc/86/84/59/1426868459.db2.gz ZBLOWRDNBPTFOU-OXQOHEQNSA-N 0 1 386.517 3.245 20 0 GGADMN CC(C)[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(F)cc1 ZINC000820121655 1426870253 /nfs/dbraw/zinc/87/02/53/1426870253.db2.gz UBWNMIXETXLODZ-UHFFFAOYSA-N 0 1 393.426 3.466 20 0 GGADMN CC(C)[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(F)cc1 ZINC000820121655 1426870260 /nfs/dbraw/zinc/87/02/60/1426870260.db2.gz UBWNMIXETXLODZ-UHFFFAOYSA-N 0 1 393.426 3.466 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824984649 1426872648 /nfs/dbraw/zinc/87/26/48/1426872648.db2.gz LRJWICKIAJSYTP-QRWLVFNGSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824984649 1426872650 /nfs/dbraw/zinc/87/26/50/1426872650.db2.gz LRJWICKIAJSYTP-QRWLVFNGSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824984649 1426872657 /nfs/dbraw/zinc/87/26/57/1426872657.db2.gz LRJWICKIAJSYTP-QRWLVFNGSA-N 0 1 380.471 3.006 20 0 GGADMN CC(C)[C@@H]1CN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCS1 ZINC000173863388 1426874407 /nfs/dbraw/zinc/87/44/07/1426874407.db2.gz CMUSAMOZQDIEIS-IBGZPJMESA-N 0 1 393.622 3.247 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000173870169 1426877152 /nfs/dbraw/zinc/87/71/52/1426877152.db2.gz IZJORQLMABGSBI-ROUUACIJSA-N 0 1 391.581 3.273 20 0 GGADMN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173872797 1426878040 /nfs/dbraw/zinc/87/80/40/1426878040.db2.gz NQVQTXDCHRTYRU-KRWDZBQOSA-N 0 1 386.927 3.467 20 0 GGADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1Cn1cncn1 ZINC000173882982 1426880796 /nfs/dbraw/zinc/88/07/96/1426880796.db2.gz QVFQAYIGUCCLQW-IBGZPJMESA-N 0 1 388.431 3.307 20 0 GGADMN CCCC[N@H+](C)c1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736453513 1426881625 /nfs/dbraw/zinc/88/16/25/1426881625.db2.gz OVELLZQAMVIESQ-LJQANCHMSA-N 0 1 394.479 3.429 20 0 GGADMN CCCC[N@@H+](C)c1ccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736453513 1426881629 /nfs/dbraw/zinc/88/16/29/1426881629.db2.gz OVELLZQAMVIESQ-LJQANCHMSA-N 0 1 394.479 3.429 20 0 GGADMN Cc1ccc(N2CC[C@H](NCc3ccccc3CN3CCCC3=O)C2=O)cc1 ZINC000173888097 1426881755 /nfs/dbraw/zinc/88/17/55/1426881755.db2.gz KLBBIODVCOUSGV-NRFANRHFSA-N 0 1 377.488 3.013 20 0 GGADMN Clc1cccc(C[N@H+]2CCCC[C@H]2CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737575315 1426882446 /nfs/dbraw/zinc/88/24/46/1426882446.db2.gz QSWKMLMXSIKDOP-INIZCTEOSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1cccc(C[N@@H+]2CCCC[C@H]2CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737575315 1426882461 /nfs/dbraw/zinc/88/24/61/1426882461.db2.gz QSWKMLMXSIKDOP-INIZCTEOSA-N 0 1 383.887 3.382 20 0 GGADMN Clc1cccc(C[N@H+]2CCCC[C@H]2CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737575315 1426882465 /nfs/dbraw/zinc/88/24/65/1426882465.db2.gz QSWKMLMXSIKDOP-INIZCTEOSA-N 0 1 383.887 3.382 20 0 GGADMN Cc1c(Cl)cnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826239367 1426882774 /nfs/dbraw/zinc/88/27/74/1426882774.db2.gz FRCWBPXBOGHPBD-MRXNPFEDSA-N 0 1 397.914 3.200 20 0 GGADMN Cc1c(Cl)cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826239367 1426882781 /nfs/dbraw/zinc/88/27/81/1426882781.db2.gz FRCWBPXBOGHPBD-MRXNPFEDSA-N 0 1 397.914 3.200 20 0 GGADMN Cc1c(Cl)cnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826239367 1426882789 /nfs/dbraw/zinc/88/27/89/1426882789.db2.gz FRCWBPXBOGHPBD-MRXNPFEDSA-N 0 1 397.914 3.200 20 0 GGADMN Cc1cccc(N2CCN(CCC(=O)Nc3cccc(-c4nnco4)c3)CC2)c1 ZINC000173892216 1426882863 /nfs/dbraw/zinc/88/28/63/1426882863.db2.gz HHTMUFPCDJTVDB-UHFFFAOYSA-N 0 1 391.475 3.196 20 0 GGADMN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000173892487 1426883308 /nfs/dbraw/zinc/88/33/08/1426883308.db2.gz CDWWDFVYAQVCKV-JKSUJKDBSA-N 0 1 390.915 3.495 20 0 GGADMN c1ccc2c(c1)CC[C@@H](C[N@H+]1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)C2 ZINC000826513794 1426887206 /nfs/dbraw/zinc/88/72/06/1426887206.db2.gz WHSLRUKTDTYZEF-IERDGZPVSA-N 0 1 375.476 3.045 20 0 GGADMN c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513794 1426887208 /nfs/dbraw/zinc/88/72/08/1426887208.db2.gz WHSLRUKTDTYZEF-IERDGZPVSA-N 0 1 375.476 3.045 20 0 GGADMN c1ccc2c(c1)CC[C@@H](C[N@H+]1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC000826513794 1426887212 /nfs/dbraw/zinc/88/72/12/1426887212.db2.gz WHSLRUKTDTYZEF-IERDGZPVSA-N 0 1 375.476 3.045 20 0 GGADMN CN(CC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C1CCC1 ZINC000173920204 1426891855 /nfs/dbraw/zinc/89/18/55/1426891855.db2.gz XWHMFQPIFOPIMX-UHFFFAOYSA-N 0 1 393.553 3.063 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000173921730 1426892541 /nfs/dbraw/zinc/89/25/41/1426892541.db2.gz DXMWKTMDCAKTEZ-QAPCUYQASA-N 0 1 384.476 3.477 20 0 GGADMN COc1cc([C@@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000173921742 1426892732 /nfs/dbraw/zinc/89/27/32/1426892732.db2.gz DXMWKTMDCAKTEZ-CRAIPNDOSA-N 0 1 384.476 3.477 20 0 GGADMN CCCCNC(=O)C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000173923541 1426893877 /nfs/dbraw/zinc/89/38/77/1426893877.db2.gz XGDDLAORVRUQEF-NRFANRHFSA-N 0 1 385.552 3.196 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3cccs3)[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000173924938 1426894415 /nfs/dbraw/zinc/89/44/15/1426894415.db2.gz HKSGLBAPAHLTJT-GFCCVEGCSA-N 0 1 376.482 3.220 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173936438 1426899204 /nfs/dbraw/zinc/89/92/04/1426899204.db2.gz GQMNMBZJESYWSI-DLBZAZTESA-N 0 1 393.532 3.033 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000737032629 1426899297 /nfs/dbraw/zinc/89/92/97/1426899297.db2.gz MVMAYIBBWVUJNB-QFBILLFUSA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000737032629 1426899302 /nfs/dbraw/zinc/89/93/02/1426899302.db2.gz MVMAYIBBWVUJNB-QFBILLFUSA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000737032629 1426899307 /nfs/dbraw/zinc/89/93/07/1426899307.db2.gz MVMAYIBBWVUJNB-QFBILLFUSA-N 0 1 393.491 3.380 20 0 GGADMN C[C@@H](Sc1nnc(C2CC2)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000173942630 1426902193 /nfs/dbraw/zinc/90/21/93/1426902193.db2.gz CIULKUSVJFIURN-CJNGLKHVSA-N 0 1 388.562 3.287 20 0 GGADMN C[C@H](Sc1nnc(C2CC2)s1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000173942617 1426902618 /nfs/dbraw/zinc/90/26/18/1426902618.db2.gz CIULKUSVJFIURN-BBRMVZONSA-N 0 1 388.562 3.287 20 0 GGADMN C[C@@H](Sc1nnc(C2CC2)s1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173942604 1426902670 /nfs/dbraw/zinc/90/26/70/1426902670.db2.gz CIULKUSVJFIURN-CZUORRHYSA-N 0 1 388.562 3.287 20 0 GGADMN COc1cc(CNC(=O)NC[C@H](c2cccs2)N(C)C)c2ccccc2n1 ZINC000173953133 1426907346 /nfs/dbraw/zinc/90/73/46/1426907346.db2.gz WCMWXCNDNLGDBV-QGZVFWFLSA-N 0 1 384.505 3.407 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CNC(C)(C)c1nc(C)c(C)s1 ZINC000173954500 1426907429 /nfs/dbraw/zinc/90/74/29/1426907429.db2.gz OQNYXERFJYDRIC-INIZCTEOSA-N 0 1 392.521 3.236 20 0 GGADMN COc1ccc2[nH]cc(C3=CCN(C(=O)CCSc4nnc(C)[nH]4)CC3)c2c1 ZINC000173956113 1426908411 /nfs/dbraw/zinc/90/84/11/1426908411.db2.gz SEVOMHGTSDDGHD-UHFFFAOYSA-N 0 1 397.504 3.401 20 0 GGADMN COc1cccc(O[C@@H](C)CNC(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000173958993 1426910009 /nfs/dbraw/zinc/91/00/09/1426910009.db2.gz LERGXYUACFVMDD-YOEHRIQHSA-N 0 1 377.510 3.126 20 0 GGADMN CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000173964179 1426912898 /nfs/dbraw/zinc/91/28/98/1426912898.db2.gz YOEZTCDYXZMMES-NRFANRHFSA-N 0 1 379.504 3.107 20 0 GGADMN Cc1ccc(C(C)(C)CN(C)CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000173963635 1426913171 /nfs/dbraw/zinc/91/31/71/1426913171.db2.gz GXHJBNOZGNKZNU-UHFFFAOYSA-N 0 1 399.560 3.421 20 0 GGADMN C[C@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)Oc1ccc(F)cc1 ZINC000173971842 1426916436 /nfs/dbraw/zinc/91/64/36/1426916436.db2.gz SOOBXEDREWMNDZ-CRAIPNDOSA-N 0 1 375.444 3.322 20 0 GGADMN C[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)Oc1ccc(F)cc1 ZINC000173971807 1426916442 /nfs/dbraw/zinc/91/64/42/1426916442.db2.gz SOOBXEDREWMNDZ-YJBOKZPZSA-N 0 1 375.444 3.322 20 0 GGADMN C[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)Oc1ccc(F)cc1 ZINC000173971828 1426916473 /nfs/dbraw/zinc/91/64/73/1426916473.db2.gz SOOBXEDREWMNDZ-MAUKXSAKSA-N 0 1 375.444 3.322 20 0 GGADMN CCN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCN(c2ccccn2)CC1 ZINC000173971695 1426916496 /nfs/dbraw/zinc/91/64/96/1426916496.db2.gz FNQLPMRIPJQXLX-UHFFFAOYSA-N 0 1 383.521 3.118 20 0 GGADMN C[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)Oc1ccc(F)cc1 ZINC000173971818 1426916618 /nfs/dbraw/zinc/91/66/18/1426916618.db2.gz SOOBXEDREWMNDZ-QAPCUYQASA-N 0 1 375.444 3.322 20 0 GGADMN Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737332423 1426920058 /nfs/dbraw/zinc/92/00/58/1426920058.db2.gz VXVAESGENDWSMO-MJGOQNOKSA-N 0 1 397.479 3.125 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@H](COCc2ccccc2)C1 ZINC000173977731 1426922035 /nfs/dbraw/zinc/92/20/35/1426922035.db2.gz SQUCWXYNIGTZRP-HKUYNNGSSA-N 0 1 396.487 3.324 20 0 GGADMN COc1ccccc1O[C@@H](C)CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173980591 1426923809 /nfs/dbraw/zinc/92/38/09/1426923809.db2.gz BALSLFUIUYVJEC-DLBZAZTESA-N 0 1 387.480 3.192 20 0 GGADMN Cc1ccc(N2CC[C@@H](Nc3ccc(CCN4CCOCC4)cc3)C2=O)cc1 ZINC000173983372 1426925905 /nfs/dbraw/zinc/92/59/05/1426925905.db2.gz AEVFSIBOGKPNLG-JOCHJYFZSA-N 0 1 379.504 3.087 20 0 GGADMN CS(=O)(=O)c1cccc(OCCN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000173982703 1426926184 /nfs/dbraw/zinc/92/61/84/1426926184.db2.gz ZNMCRYYGQAQFLF-IBGZPJMESA-N 0 1 389.517 3.008 20 0 GGADMN O=C(CN1CC[C@H](COCc2ccccc2)C1)NCC1(c2ccccc2)CC1 ZINC000173989569 1426929987 /nfs/dbraw/zinc/92/99/87/1426929987.db2.gz OQJHMTSIELELKW-NRFANRHFSA-N 0 1 378.516 3.373 20 0 GGADMN C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)N(C)C1CC1 ZINC000736024805 1426936282 /nfs/dbraw/zinc/93/62/82/1426936282.db2.gz FUEZVCMOLXHWCZ-INIZCTEOSA-N 0 1 392.507 3.018 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C[C@H](C)CC[C@@H]1C ZINC000174009109 1426940373 /nfs/dbraw/zinc/94/03/73/1426940373.db2.gz FISRLCDFYPGSHW-CVEARBPZSA-N 0 1 392.569 3.317 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Oc3ccc(NC(=O)C4CC4)cc3)cc2)CC1 ZINC000174009230 1426940860 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Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000822757866 1426993273 /nfs/dbraw/zinc/99/32/73/1426993273.db2.gz GQNFKOXUBZSNLE-JTQLQIEISA-N 0 1 395.364 3.127 20 0 GGADMN CC[NH+](CC)CC1CCN(c2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825412826 1427003481 /nfs/dbraw/zinc/00/34/81/1427003481.db2.gz VKBGPMTUVJKLRL-UHFFFAOYSA-N 0 1 393.333 3.187 20 0 GGADMN COCCOC[C@H]1CCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000174105982 1427004613 /nfs/dbraw/zinc/00/46/13/1427004613.db2.gz SWVLDFOWWLUGFK-AVRDEDQJSA-N 0 1 398.503 3.360 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Br)nc1 ZINC000174111936 1427007153 /nfs/dbraw/zinc/00/71/53/1427007153.db2.gz USVNUJAEPPTXIE-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN CC(C)c1nnc(-c2ccccc2NC(=O)C2CCN(c3cnccn3)CC2)[nH]1 ZINC000174123450 1427011507 /nfs/dbraw/zinc/01/15/07/1427011507.db2.gz IIZZUHGVGMFAAY-UHFFFAOYSA-N 0 1 391.479 3.240 20 0 GGADMN CC[C@H](CO)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000174129597 1427014532 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3.100 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1c(C)nn(C)c1C)N1CCCCC1 ZINC000174158587 1427025317 /nfs/dbraw/zinc/02/53/17/1427025317.db2.gz TXQNKZFKSCERKF-FQEVSTJZSA-N 0 1 399.539 3.072 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1c(C)nn(C)c1C)N1CCCCC1 ZINC000174158593 1427025431 /nfs/dbraw/zinc/02/54/31/1427025431.db2.gz TXQNKZFKSCERKF-HXUWFJFHSA-N 0 1 399.539 3.072 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)c1ccc(F)cc1 ZINC000174159142 1427025994 /nfs/dbraw/zinc/02/59/94/1427025994.db2.gz XOGLIWFYZLQLIH-NRFANRHFSA-N 0 1 382.483 3.304 20 0 GGADMN Cc1nsc(N2CCCN(CCOc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000174161461 1427027214 /nfs/dbraw/zinc/02/72/14/1427027214.db2.gz CECQDCNANBIQFV-UHFFFAOYSA-N 0 1 386.443 3.456 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000174162019 1427027281 /nfs/dbraw/zinc/02/72/81/1427027281.db2.gz JPOUIHXEGUGOSZ-UHFFFAOYSA-N 0 1 377.326 3.283 20 0 GGADMN COC(=O)c1ccsc1N1CC[C@H](N[C@H](c2ncccc2C)C(C)C)C1=O ZINC000174161320 1427027730 /nfs/dbraw/zinc/02/77/30/1427027730.db2.gz WACARBOLRYKYOZ-HOTGVXAUSA-N 0 1 387.505 3.330 20 0 GGADMN C[C@H](CC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccccc1C(F)(F)F ZINC000174164380 1427028570 /nfs/dbraw/zinc/02/85/70/1427028570.db2.gz YEBKQXKFDZIRMT-CVEARBPZSA-N 0 1 384.442 3.380 20 0 GGADMN CCc1cnc(CNC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)s1 ZINC000174164732 1427028812 /nfs/dbraw/zinc/02/88/12/1427028812.db2.gz RBCDOGHPKVVMDT-UHFFFAOYSA-N 0 1 388.537 3.132 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3nnc[nH]3)cc12 ZINC000174164159 1427028963 /nfs/dbraw/zinc/02/89/63/1427028963.db2.gz VGIPYSQAOLJRHW-UHFFFAOYSA-N 0 1 386.868 3.439 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000174166526 1427029503 /nfs/dbraw/zinc/02/95/03/1427029503.db2.gz TXZJKELBISIESV-UHFFFAOYSA-N 0 1 383.477 3.100 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000174168653 1427030532 /nfs/dbraw/zinc/03/05/32/1427030532.db2.gz JGKKDZONNKHEDV-UHFFFAOYSA-N 0 1 384.871 3.185 20 0 GGADMN CC(C)(C)c1ccc(SCC(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000174172762 1427031988 /nfs/dbraw/zinc/03/19/88/1427031988.db2.gz QBWAJGPSOATIQO-QGZVFWFLSA-N 0 1 376.566 3.257 20 0 GGADMN C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCc2ccccc2C1 ZINC000174174268 1427032591 /nfs/dbraw/zinc/03/25/91/1427032591.db2.gz CFCYNTJTAKWVFK-UIFIKXQLSA-N 0 1 381.524 3.113 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccco1 ZINC000174175455 1427033282 /nfs/dbraw/zinc/03/32/82/1427033282.db2.gz JIBHBCAJYYVXBQ-GOSISDBHSA-N 0 1 399.495 3.404 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1cccs1 ZINC000174184748 1427037001 /nfs/dbraw/zinc/03/70/01/1427037001.db2.gz IIFRTFJLCLUTDZ-MRXNPFEDSA-N 0 1 387.509 3.092 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174184828 1427037303 /nfs/dbraw/zinc/03/73/03/1427037303.db2.gz JOBDZMYCHYJVJP-SFTDATJTSA-N 0 1 399.514 3.470 20 0 GGADMN CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174184547 1427037315 /nfs/dbraw/zinc/03/73/15/1427037315.db2.gz DXZLRSVTANLMEL-UXHICEINSA-N 0 1 376.566 3.125 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc(N2CCCNC2=O)c1 ZINC000174185308 1427038106 /nfs/dbraw/zinc/03/81/06/1427038106.db2.gz UHDWJCUMUGQCNI-SFHVURJKSA-N 0 1 397.479 3.158 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1cccc(F)c1 ZINC000174194207 1427043124 /nfs/dbraw/zinc/04/31/24/1427043124.db2.gz JVOLHNUPALZPMN-LJQANCHMSA-N 0 1 399.470 3.170 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)c1ccc(F)cc1 ZINC000174194624 1427044497 /nfs/dbraw/zinc/04/44/97/1427044497.db2.gz WRFSQMJDHPXOBX-IBGZPJMESA-N 0 1 399.470 3.170 20 0 GGADMN O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174195667 1427044863 /nfs/dbraw/zinc/04/48/63/1427044863.db2.gz XNXARPXYRCPZSG-KRWDZBQOSA-N 0 1 378.472 3.105 20 0 GGADMN CCN(CC)C(=O)[C@@H](NCCCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000174198703 1427046066 /nfs/dbraw/zinc/04/60/66/1427046066.db2.gz YLMKCJDEHGGHOP-QFIPXVFZSA-N 0 1 395.503 3.001 20 0 GGADMN CCCCCc1nnc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)s1 ZINC000174198505 1427046554 /nfs/dbraw/zinc/04/65/54/1427046554.db2.gz KSYLWZUTACPTDS-UHFFFAOYSA-N 0 1 387.553 3.271 20 0 GGADMN Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826289511 1427047116 /nfs/dbraw/zinc/04/71/16/1427047116.db2.gz CXKOIDHCTWZESV-UHFFFAOYSA-N 0 1 394.454 3.165 20 0 GGADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000174200107 1427047195 /nfs/dbraw/zinc/04/71/95/1427047195.db2.gz WRJSFELDYJUZLP-JTSKRJEESA-N 0 1 384.524 3.324 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297203 1427048600 /nfs/dbraw/zinc/04/86/00/1427048600.db2.gz RZEXRTIAPCTTOW-AEFFLSMTSA-N 0 1 385.422 3.176 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)C1 ZINC000820722093 1427049985 /nfs/dbraw/zinc/04/99/85/1427049985.db2.gz FUOWTVTUINPGBZ-CQSZACIVSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@@H]1CC[N@H+](CCOc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820722093 1427049989 /nfs/dbraw/zinc/04/99/89/1427049989.db2.gz FUOWTVTUINPGBZ-CQSZACIVSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820722093 1427049994 /nfs/dbraw/zinc/04/99/94/1427049994.db2.gz FUOWTVTUINPGBZ-CQSZACIVSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174206740 1427050204 /nfs/dbraw/zinc/05/02/04/1427050204.db2.gz HUKQAYGGFXNMBE-RDJZCZTQSA-N 0 1 384.442 3.065 20 0 GGADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174206683 1427050517 /nfs/dbraw/zinc/05/05/17/1427050517.db2.gz BHZQTUTVEBUXMH-RDJZCZTQSA-N 0 1 384.442 3.065 20 0 GGADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174206714 1427050590 /nfs/dbraw/zinc/05/05/90/1427050590.db2.gz HUKQAYGGFXNMBE-DOTOQJQBSA-N 0 1 384.442 3.065 20 0 GGADMN Cn1nc(CC(C)(C)C)cc1NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O ZINC000174209722 1427051820 /nfs/dbraw/zinc/05/18/20/1427051820.db2.gz XSSXNQZNIHBSNF-UHFFFAOYSA-N 0 1 398.916 3.286 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321882 1427053887 /nfs/dbraw/zinc/05/38/87/1427053887.db2.gz NKCKQPJLQACHOC-OXQOHEQNSA-N 0 1 390.491 3.099 20 0 GGADMN CCCC[N@H+](C)c1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821060640 1427056916 /nfs/dbraw/zinc/05/69/16/1427056916.db2.gz GGYLHNMFRUJUDL-LJQANCHMSA-N 0 1 394.479 3.429 20 0 GGADMN CCCC[N@@H+](C)c1ccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821060640 1427056921 /nfs/dbraw/zinc/05/69/21/1427056921.db2.gz GGYLHNMFRUJUDL-LJQANCHMSA-N 0 1 394.479 3.429 20 0 GGADMN O=C(NCc1ccccc1N1CCOCC1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174222069 1427057059 /nfs/dbraw/zinc/05/70/59/1427057059.db2.gz SCPVWFFAPODPKH-QHCPKHFHSA-N 0 1 393.531 3.194 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)N2CCCC2)o1 ZINC000174226422 1427059263 /nfs/dbraw/zinc/05/92/63/1427059263.db2.gz RYUAKSVEDUAISJ-QYZOEREBSA-N 0 1 385.512 3.405 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000735904066 1427060218 /nfs/dbraw/zinc/06/02/18/1427060218.db2.gz KTXCQUXLFNNODE-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000735904066 1427060224 /nfs/dbraw/zinc/06/02/24/1427060224.db2.gz KTXCQUXLFNNODE-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735904066 1427060229 /nfs/dbraw/zinc/06/02/29/1427060229.db2.gz KTXCQUXLFNNODE-OAHLLOKOSA-N 0 1 394.479 3.113 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)CC[C@@H]1c1ccccc1 ZINC000174230031 1427060511 /nfs/dbraw/zinc/06/05/11/1427060511.db2.gz FEPYLPHFWALBDN-CJNGLKHVSA-N 0 1 379.485 3.478 20 0 GGADMN CCc1cnc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000174234057 1427062439 /nfs/dbraw/zinc/06/24/39/1427062439.db2.gz UXYVIPKHLIFWLZ-CYBMUJFWSA-N 0 1 391.516 3.479 20 0 GGADMN CCc1cnc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000174234041 1427062480 /nfs/dbraw/zinc/06/24/80/1427062480.db2.gz UXYVIPKHLIFWLZ-ZDUSSCGKSA-N 0 1 391.516 3.479 20 0 GGADMN Clc1cccc(C[N@H+]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737576073 1427063197 /nfs/dbraw/zinc/06/31/97/1427063197.db2.gz SZRVTWRMOPRUGP-QGZVFWFLSA-N 0 1 383.887 3.382 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)CCCC(=O)N(C)C)cc2Cl)CC1 ZINC000174246006 1427067448 /nfs/dbraw/zinc/06/74/48/1427067448.db2.gz JFYDAPOCIPWWNS-UHFFFAOYSA-N 0 1 394.947 3.069 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)c3c[nH]c(C)cc3=O)cc2Cl)CC1 ZINC000174246023 1427067535 /nfs/dbraw/zinc/06/75/35/1427067535.db2.gz VRTQLMGTELSBMV-UHFFFAOYSA-N 0 1 388.899 3.121 20 0 GGADMN O=c1ccc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3O)ccc2o1 ZINC000174250710 1427070031 /nfs/dbraw/zinc/07/00/31/1427070031.db2.gz LADUVFUVTVQTJA-UHFFFAOYSA-N 0 1 385.319 3.318 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)ccc1F ZINC000174250917 1427070397 /nfs/dbraw/zinc/07/03/97/1427070397.db2.gz MIFMMRZKEWYWDG-UHFFFAOYSA-N 0 1 392.330 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C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000824906766 1427207005 /nfs/dbraw/zinc/20/70/05/1427207005.db2.gz DXOFENUOKUGHOE-RVKKMQEKSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1nnc[nH]1 ZINC000174534066 1427208973 /nfs/dbraw/zinc/20/89/73/1427208973.db2.gz ZGFQSSQNPVTWMS-LLVKDONJSA-N 0 1 380.433 3.124 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)C(C1CC1)C1CC1 ZINC000174537857 1427209704 /nfs/dbraw/zinc/20/97/04/1427209704.db2.gz OYKZHYHAVJAWKM-UHFFFAOYSA-N 0 1 386.540 3.489 20 0 GGADMN Cc1cc(-c2cc(C(=O)N[C@H](C)c3nnc[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000174537289 1427210059 /nfs/dbraw/zinc/21/00/59/1427210059.db2.gz VQAIBCIHUPTUJP-GFCCVEGCSA-N 0 1 393.451 3.498 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)CCSC ZINC000174539510 1427210525 /nfs/dbraw/zinc/21/05/25/1427210525.db2.gz MQSBRRCPZHKJRT-INIZCTEOSA-N 0 1 394.585 3.442 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NOCc1ccccc1 ZINC000174538929 1427210645 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CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1CC2(CCCC2)OC1=O ZINC000824261885 1427212683 /nfs/dbraw/zinc/21/26/83/1427212683.db2.gz SREIJLHZQOIKCS-UHFFFAOYSA-N 0 1 384.484 3.047 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1nccs1 ZINC000174541350 1427212784 /nfs/dbraw/zinc/21/27/84/1427212784.db2.gz BBBUVJARCJKTMM-AWEZNQCLSA-N 0 1 389.525 3.176 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1cccc(O)c1 ZINC000174542029 1427213721 /nfs/dbraw/zinc/21/37/21/1427213721.db2.gz YOOLKUKZZWQBDH-MRXNPFEDSA-N 0 1 398.507 3.425 20 0 GGADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCCN(Cc2cscn2)CC1 ZINC000174544288 1427215100 /nfs/dbraw/zinc/21/51/00/1427215100.db2.gz WRJKCIBKESJNNI-NRFANRHFSA-N 0 1 398.576 3.232 20 0 GGADMN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nc(Sc2ccc(C)cc2)ns1 ZINC000174554267 1427221014 /nfs/dbraw/zinc/22/10/14/1427221014.db2.gz DRPRXMYSURWWKD-UHFFFAOYSA-N 0 1 399.457 3.388 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174555736 1427221631 /nfs/dbraw/zinc/22/16/31/1427221631.db2.gz SKBHYKIUVISFPB-ICSRJNTNSA-N 0 1 383.540 3.394 20 0 GGADMN Cc1c(NC(=O)NC[C@H](c2cccs2)N(C)C)cccc1N1CCOC1=O ZINC000174555004 1427222224 /nfs/dbraw/zinc/22/22/24/1427222224.db2.gz VDJGFWOPPBCHHV-MRXNPFEDSA-N 0 1 388.493 3.438 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N(C)C)cc21 ZINC000174562456 1427224986 /nfs/dbraw/zinc/22/49/86/1427224986.db2.gz ITYFNQFNPOQLTJ-NRFANRHFSA-N 0 1 392.503 3.409 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1ccccc1 ZINC000174562542 1427226383 /nfs/dbraw/zinc/22/63/83/1427226383.db2.gz KBMVYJLYUQLTOX-LJQANCHMSA-N 0 1 383.492 3.222 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c2cccnc2c1C ZINC000174568410 1427228647 /nfs/dbraw/zinc/22/86/47/1427228647.db2.gz VLSAYXLQFJBHLE-QGZVFWFLSA-N 0 1 396.516 3.271 20 0 GGADMN COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174569274 1427229205 /nfs/dbraw/zinc/22/92/05/1427229205.db2.gz WKGGLVKVESFRMW-JOCHJYFZSA-N 0 1 393.531 3.420 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)N2CCCC2)o1 ZINC000174568863 1427229403 /nfs/dbraw/zinc/22/94/03/1427229403.db2.gz ZFVYSYUGQNUTOO-CABCVRRESA-N 0 1 389.500 3.466 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1C(F)(F)F ZINC000174568515 1427229445 /nfs/dbraw/zinc/22/94/45/1427229445.db2.gz MTIMPVZQJPPKEF-AWEZNQCLSA-N 0 1 399.438 3.433 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)ccc1OC(C)C ZINC000174568645 1427229709 /nfs/dbraw/zinc/22/97/09/1427229709.db2.gz PWLZDKFMEDXTBV-MRXNPFEDSA-N 0 1 389.521 3.201 20 0 GGADMN COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174569285 1427229831 /nfs/dbraw/zinc/22/98/31/1427229831.db2.gz WKGGLVKVESFRMW-QFIPXVFZSA-N 0 1 393.531 3.420 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1)c1cccs1 ZINC000174568790 1427229977 /nfs/dbraw/zinc/22/99/77/1427229977.db2.gz RDDVIAAJAYBNDF-CQSZACIVSA-N 0 1 399.438 3.211 20 0 GGADMN COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569698 1427230209 /nfs/dbraw/zinc/23/02/09/1427230209.db2.gz OEAAYBOHMSBROY-CVEARBPZSA-N 0 1 394.535 3.141 20 0 GGADMN CC[C@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccncc1 ZINC000174569661 1427230438 /nfs/dbraw/zinc/23/04/38/1427230438.db2.gz OJBCITAAPWFSFE-UZLBHIALSA-N 0 1 399.514 3.484 20 0 GGADMN CCSCC[C@@H](C)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174570224 1427231341 /nfs/dbraw/zinc/23/13/41/1427231341.db2.gz USUAEZYDPPTTKL-HZPDHXFCSA-N 0 1 396.576 3.469 20 0 GGADMN CCSCC[C@H](C)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174570208 1427231445 /nfs/dbraw/zinc/23/14/45/1427231445.db2.gz USUAEZYDPPTTKL-HOTGVXAUSA-N 0 1 396.576 3.469 20 0 GGADMN C[C@H](CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)Sc1ccccc1 ZINC000174573474 1427234113 /nfs/dbraw/zinc/23/41/13/1427234113.db2.gz RAZYPIIWWNSENN-GOSISDBHSA-N 0 1 383.561 3.345 20 0 GGADMN CC(C)Oc1ccc(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000174575887 1427235198 /nfs/dbraw/zinc/23/51/98/1427235198.db2.gz UJQVRCBYLXMYHQ-UHFFFAOYSA-N 0 1 381.520 3.151 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000824910138 1427236849 /nfs/dbraw/zinc/23/68/49/1427236849.db2.gz VQHSMXQASNZSPQ-XHSDSOJGSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824910138 1427236853 /nfs/dbraw/zinc/23/68/53/1427236853.db2.gz VQHSMXQASNZSPQ-XHSDSOJGSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824910138 1427236857 /nfs/dbraw/zinc/23/68/57/1427236857.db2.gz VQHSMXQASNZSPQ-XHSDSOJGSA-N 0 1 377.496 3.257 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)N(C)C)cc1 ZINC000174578636 1427236909 /nfs/dbraw/zinc/23/69/09/1427236909.db2.gz FSKPSBHCCSDRDT-FQEVSTJZSA-N 0 1 378.476 3.088 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000174579159 1427237601 /nfs/dbraw/zinc/23/76/01/1427237601.db2.gz BYPRBXLKKCNISH-HXUWFJFHSA-N 0 1 376.460 3.060 20 0 GGADMN CCc1c(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)[nH]nc1-c1ccncc1 ZINC000174579117 1427237763 /nfs/dbraw/zinc/23/77/63/1427237763.db2.gz NVNJDQPMENNXEF-UHFFFAOYSA-N 0 1 385.468 3.230 20 0 GGADMN CC[NH+](CC)Cc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736531042 1427240559 /nfs/dbraw/zinc/24/05/59/1427240559.db2.gz BXRNLELOVYWGRQ-UHFFFAOYSA-N 0 1 388.479 3.264 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@H]2CCC[C@H](O)C2)CC1 ZINC000174586968 1427242379 /nfs/dbraw/zinc/24/23/79/1427242379.db2.gz WRXIHVWJPHXGIZ-RDJZCZTQSA-N 0 1 394.947 3.155 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC(C)(C)C[C@@H](C)O)CC1 ZINC000174587188 1427242463 /nfs/dbraw/zinc/24/24/63/1427242463.db2.gz PJRWSCLPXALDPA-OAHLLOKOSA-N 0 1 396.963 3.401 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(N3CCOCC3)cc2C)cc1 ZINC000174593378 1427246175 /nfs/dbraw/zinc/24/61/75/1427246175.db2.gz WVSWUCWNLMEXAF-UHFFFAOYSA-N 0 1 392.459 3.483 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000823826417 1427248298 /nfs/dbraw/zinc/24/82/98/1427248298.db2.gz IJEAUMWDMAKPEW-UHFFFAOYSA-N 0 1 391.317 3.448 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)[nH]1 ZINC000174596556 1427248720 /nfs/dbraw/zinc/24/87/20/1427248720.db2.gz SUWIJCHDSPNMQM-UHFFFAOYSA-N 0 1 397.508 3.219 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C12CCC2 ZINC000174598225 1427249421 /nfs/dbraw/zinc/24/94/21/1427249421.db2.gz WVGUZFHBUOEIFK-PMACEKPBSA-N 0 1 386.540 3.216 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000174598928 1427249461 /nfs/dbraw/zinc/24/94/61/1427249461.db2.gz FXKMMMPFIVJPHP-ICSRJNTNSA-N 0 1 394.519 3.054 20 0 GGADMN COc1ccc(CN(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1C ZINC000174600243 1427251174 /nfs/dbraw/zinc/25/11/74/1427251174.db2.gz ZDPJJIVVPCRHNH-UHFFFAOYSA-N 0 1 381.520 3.023 20 0 GGADMN CO[C@]1(C)C[C@@H](N(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C ZINC000174600345 1427251387 /nfs/dbraw/zinc/25/13/87/1427251387.db2.gz YXXLPHOCBRSQRP-DENIHFKCSA-N 0 1 388.556 3.414 20 0 GGADMN CO[C@]1(C)C[C@H](N(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1(C)C ZINC000174600356 1427251452 /nfs/dbraw/zinc/25/14/52/1427251452.db2.gz YXXLPHOCBRSQRP-SIKLNZKXSA-N 0 1 388.556 3.414 20 0 GGADMN c1sc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826521810 1427251421 /nfs/dbraw/zinc/25/14/21/1427251421.db2.gz ZFOZMZNKNYZBAM-YLJYHZDGSA-N 0 1 394.548 3.415 20 0 GGADMN c1sc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826521810 1427251423 /nfs/dbraw/zinc/25/14/23/1427251423.db2.gz ZFOZMZNKNYZBAM-YLJYHZDGSA-N 0 1 394.548 3.415 20 0 GGADMN c1sc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826521810 1427251427 /nfs/dbraw/zinc/25/14/27/1427251427.db2.gz ZFOZMZNKNYZBAM-YLJYHZDGSA-N 0 1 394.548 3.415 20 0 GGADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1ccccc1 ZINC000174601664 1427251724 /nfs/dbraw/zinc/25/17/24/1427251724.db2.gz TWYNCRZZDBGILA-IBGZPJMESA-N 0 1 383.492 3.222 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)[nH]1 ZINC000174601117 1427252130 /nfs/dbraw/zinc/25/21/30/1427252130.db2.gz WURGKURGMWPNDG-UHFFFAOYSA-N 0 1 387.553 3.063 20 0 GGADMN Cc1ccnc(Oc2cc(NC(=O)C(=O)NCCN3CCCCC3)ccc2C)c1 ZINC000174602228 1427252426 /nfs/dbraw/zinc/25/24/26/1427252426.db2.gz WAXHANJCSBVQPG-UHFFFAOYSA-N 0 1 396.491 3.031 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)C(=O)NCCN3CCCCC3)cc2s1 ZINC000174602189 1427252634 /nfs/dbraw/zinc/25/26/34/1427252634.db2.gz CVXMJPQLHUFOJE-UHFFFAOYSA-N 0 1 388.537 3.134 20 0 GGADMN CC(=O)c1ccccc1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000174602421 1427252868 /nfs/dbraw/zinc/25/28/68/1427252868.db2.gz DZOKIOIDFFWHMT-IRXDYDNUSA-N 0 1 380.488 3.428 20 0 GGADMN COc1cccc(Cl)c1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000174603515 1427253322 /nfs/dbraw/zinc/25/33/22/1427253322.db2.gz KNIXYVDBLXAPRH-UHFFFAOYSA-N 0 1 387.911 3.291 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(F)cc4c3OCOC4)C2)nc1 ZINC000174604303 1427254650 /nfs/dbraw/zinc/25/46/50/1427254650.db2.gz NMFQQRWIKZVLMS-HNNXBMFYSA-N 0 1 385.439 3.246 20 0 GGADMN CC(C)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)N1CCN(C)CC1 ZINC000174604380 1427254776 /nfs/dbraw/zinc/25/47/76/1427254776.db2.gz RLKJMZYLPAASGV-HXUWFJFHSA-N 0 1 393.531 3.312 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820664526 1427259215 /nfs/dbraw/zinc/25/92/15/1427259215.db2.gz BGPSVUWVFGTFIP-IFXJQAMLSA-N 0 1 394.454 3.418 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000174616207 1427264156 /nfs/dbraw/zinc/26/41/56/1427264156.db2.gz UGVXMZFBJUQDMB-UHFFFAOYSA-N 0 1 399.520 3.313 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000174616443 1427264370 /nfs/dbraw/zinc/26/43/70/1427264370.db2.gz HHAQFLIMPGTZFW-UHFFFAOYSA-N 0 1 388.537 3.356 20 0 GGADMN COc1ccccc1-c1ccc(CN[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000174620439 1427267660 /nfs/dbraw/zinc/26/76/60/1427267660.db2.gz XLOCERYAPFKMMZ-HXUWFJFHSA-N 0 1 390.487 3.299 20 0 GGADMN C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824457348 1427269094 /nfs/dbraw/zinc/26/90/94/1427269094.db2.gz KFKXTKNYSLLXJS-INIZCTEOSA-N 0 1 394.498 3.191 20 0 GGADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1=CCCCO1 ZINC000174623048 1427270291 /nfs/dbraw/zinc/27/02/91/1427270291.db2.gz DKNMDLYSXJXTMC-UHFFFAOYSA-N 0 1 391.515 3.319 20 0 GGADMN Cc1nc(SCCC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)n[nH]1 ZINC000174635881 1427279293 /nfs/dbraw/zinc/27/92/93/1427279293.db2.gz NMKGJFCQDSVQOE-MRXNPFEDSA-N 0 1 393.944 3.202 20 0 GGADMN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000174637178 1427279987 /nfs/dbraw/zinc/27/99/87/1427279987.db2.gz MZTXEPUAQVJYBM-HXUWFJFHSA-N 0 1 376.460 3.060 20 0 GGADMN Cn1ccc2ccc(NC(=O)C(=O)N[C@@H](CN3CCCC3)c3ccccc3)cc21 ZINC000174637076 1427280284 /nfs/dbraw/zinc/28/02/84/1427280284.db2.gz VMMMOGOHNGBJIQ-FQEVSTJZSA-N 0 1 390.487 3.070 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094814 1427282795 /nfs/dbraw/zinc/28/27/95/1427282795.db2.gz IQUOZLXKPSASAC-BZSNNMDCSA-N 0 1 383.496 3.342 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](COc2ccccc2F)c2ccccc2)[nH]1 ZINC000174644321 1427283182 /nfs/dbraw/zinc/28/31/82/1427283182.db2.gz LHXOLBRUEHDTOE-MRXNPFEDSA-N 0 1 386.452 3.281 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](COc2ccccc2F)c2ccccc2)n1 ZINC000174644321 1427283194 /nfs/dbraw/zinc/28/31/94/1427283194.db2.gz LHXOLBRUEHDTOE-MRXNPFEDSA-N 0 1 386.452 3.281 20 0 GGADMN CCCN(CC)CCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000174648432 1427286499 /nfs/dbraw/zinc/28/64/99/1427286499.db2.gz WNDSCTCNKPMIOF-UHFFFAOYSA-N 0 1 388.533 3.122 20 0 GGADMN CN(CC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)c1ncnc2[nH]cnc21 ZINC000174649551 1427286962 /nfs/dbraw/zinc/28/69/62/1427286962.db2.gz YQTLGOQPNOUZIN-IBGZPJMESA-N 0 1 398.470 3.115 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccccc2CN2CCc3ccccc32)[nH]1 ZINC000174650140 1427287645 /nfs/dbraw/zinc/28/76/45/1427287645.db2.gz QDYLHEPZQAHFFD-UHFFFAOYSA-N 0 1 379.489 3.407 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccccc2CN2CCc3ccccc32)n1 ZINC000174650140 1427287653 /nfs/dbraw/zinc/28/76/53/1427287653.db2.gz QDYLHEPZQAHFFD-UHFFFAOYSA-N 0 1 379.489 3.407 20 0 GGADMN Cc1ccc(-c2n[nH]cc2CNc2ccc(OCCN3CCN(C)CC3)cc2)o1 ZINC000174653226 1427290122 /nfs/dbraw/zinc/29/01/22/1427290122.db2.gz MBAMEKDCJLOJHQ-UHFFFAOYSA-N 0 1 395.507 3.216 20 0 GGADMN Oc1cccc(CN2CCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000174661977 1427294589 /nfs/dbraw/zinc/29/45/89/1427294589.db2.gz UILGVAJLNGXJBO-UHFFFAOYSA-N 0 1 398.894 3.456 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[nH]1 ZINC000174665208 1427295737 /nfs/dbraw/zinc/29/57/37/1427295737.db2.gz YZRBBHSSPYHKBO-UHFFFAOYSA-N 0 1 396.451 3.450 20 0 GGADMN Oc1cccc(CN2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000174667171 1427297685 /nfs/dbraw/zinc/29/76/85/1427297685.db2.gz FTNSGVHBFHVLPZ-UHFFFAOYSA-N 0 1 398.894 3.456 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000174677382 1427304437 /nfs/dbraw/zinc/30/44/37/1427304437.db2.gz MXZRQRSPOVCFJJ-GOSISDBHSA-N 0 1 383.492 3.243 20 0 GGADMN COc1cc(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)cc(OC)c1 ZINC000174676670 1427304452 /nfs/dbraw/zinc/30/44/52/1427304452.db2.gz HDNVKBOSXSMOGW-LJQANCHMSA-N 0 1 383.492 3.243 20 0 GGADMN CN(CC(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677780 1427304499 /nfs/dbraw/zinc/30/44/99/1427304499.db2.gz SVJSWZQUGCBDFT-TZIWHRDSSA-N 0 1 379.504 3.227 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(-c4ncc[nH]4)cc3)c2)CC1 ZINC000174678858 1427305478 /nfs/dbraw/zinc/30/54/78/1427305478.db2.gz XCTRMDQGDRADIA-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN COc1ccc(-c2n[nH]c(SCCC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000174684021 1427307941 /nfs/dbraw/zinc/30/79/41/1427307941.db2.gz XXQRNOYCMWEXFI-UHFFFAOYSA-N 0 1 386.452 3.418 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737844732 1427308532 /nfs/dbraw/zinc/30/85/32/1427308532.db2.gz VOQCYBYCTSLSDR-GOSISDBHSA-N 0 1 398.417 3.311 20 0 GGADMN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826287898 1427308547 /nfs/dbraw/zinc/30/85/47/1427308547.db2.gz IMFOSRLRYDLPMS-UHFFFAOYSA-N 0 1 376.464 3.332 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCC2CC2)c1 ZINC000174686814 1427309229 /nfs/dbraw/zinc/30/92/29/1427309229.db2.gz XATFECGOFNOYNT-UHFFFAOYSA-N 0 1 388.489 3.334 20 0 GGADMN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCSc1nnc(C)[nH]1 ZINC000174688247 1427310199 /nfs/dbraw/zinc/31/01/99/1427310199.db2.gz RWDYITNMUVPYBM-MRXNPFEDSA-N 0 1 384.509 3.329 20 0 GGADMN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1cccc(F)c1C ZINC000174691072 1427312388 /nfs/dbraw/zinc/31/23/88/1427312388.db2.gz RXSPRCFWTZYAPJ-UHFFFAOYSA-N 0 1 392.452 3.180 20 0 GGADMN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000174692773 1427312957 /nfs/dbraw/zinc/31/29/57/1427312957.db2.gz LFNLZSUMEWXQBN-UXHICEINSA-N 0 1 381.524 3.059 20 0 GGADMN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000174692794 1427313776 /nfs/dbraw/zinc/31/37/76/1427313776.db2.gz LFNLZSUMEWXQBN-WOJBJXKFSA-N 0 1 381.524 3.059 20 0 GGADMN CC(C)(C)C1CCC([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000819906037 1427314867 /nfs/dbraw/zinc/31/48/67/1427314867.db2.gz BABMNZDLEXBDCI-UHFFFAOYSA-N 0 1 383.544 3.425 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[nH]1 ZINC000174703488 1427319134 /nfs/dbraw/zinc/31/91/34/1427319134.db2.gz LLEAOKQTFQEZGB-UHFFFAOYSA-N 0 1 393.900 3.123 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1 ZINC000174703488 1427319137 /nfs/dbraw/zinc/31/91/37/1427319137.db2.gz LLEAOKQTFQEZGB-UHFFFAOYSA-N 0 1 393.900 3.123 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2)CC1 ZINC000174705946 1427320449 /nfs/dbraw/zinc/32/04/49/1427320449.db2.gz ZZPBIDMHTKPRAZ-UHFFFAOYSA-N 0 1 376.460 3.341 20 0 GGADMN Cn1c(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)nc2c1cccc2F ZINC000174707945 1427321477 /nfs/dbraw/zinc/32/14/77/1427321477.db2.gz LQPUGANVJHNSMJ-FQEVSTJZSA-N 0 1 394.494 3.426 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)[nH]1 ZINC000174708883 1427322879 /nfs/dbraw/zinc/32/28/79/1427322879.db2.gz PZKMYLUUVHOCBH-UHFFFAOYSA-N 0 1 387.440 3.347 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](CC(N)=O)C2)c1 ZINC000174712500 1427324927 /nfs/dbraw/zinc/32/49/27/1427324927.db2.gz JFAQUBKBVKEMTP-HXUWFJFHSA-N 0 1 379.504 3.046 20 0 GGADMN Cc1csc(C2(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)CCCC2)n1 ZINC000174716891 1427328045 /nfs/dbraw/zinc/32/80/45/1427328045.db2.gz OTSYPEQMBUWKOY-UHFFFAOYSA-N 0 1 398.576 3.398 20 0 GGADMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000174730744 1427336057 /nfs/dbraw/zinc/33/60/57/1427336057.db2.gz ACLUZLUQBSZKRN-LJQANCHMSA-N 0 1 384.501 3.419 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000736197287 1427336688 /nfs/dbraw/zinc/33/66/88/1427336688.db2.gz MRSOOCVUTUZCFQ-AWEZNQCLSA-N 0 1 375.436 3.152 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)[nH]1 ZINC000174743804 1427344662 /nfs/dbraw/zinc/34/46/62/1427344662.db2.gz PVRWUYXIMVDELN-UHFFFAOYSA-N 0 1 395.916 3.368 20 0 GGADMN O=C1NCCCN1c1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000174754676 1427349468 /nfs/dbraw/zinc/34/94/68/1427349468.db2.gz QHHOALIZEXUQKB-UHFFFAOYSA-N 0 1 383.832 3.200 20 0 GGADMN c1cc2c(cc1CCC[NH2+][C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)OCCO2 ZINC000826518591 1427354945 /nfs/dbraw/zinc/35/49/45/1427354945.db2.gz SKJGNNIBECPLTK-IBGZPJMESA-N 0 1 391.475 3.238 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cc2=O)cc1 ZINC000174767443 1427356172 /nfs/dbraw/zinc/35/61/72/1427356172.db2.gz WDEMUEASFBGBTB-UHFFFAOYSA-N 0 1 392.503 3.244 20 0 GGADMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000174768422 1427357287 /nfs/dbraw/zinc/35/72/87/1427357287.db2.gz VBQRNUWNOYQGHZ-AWEZNQCLSA-N 0 1 388.537 3.133 20 0 GGADMN O=C(CCN1CCN(c2ccccc2)CC1)Nc1cnn(-c2ccccc2)c1 ZINC000174772754 1427358895 /nfs/dbraw/zinc/35/88/95/1427358895.db2.gz FMSIDHFTGJYWJC-UHFFFAOYSA-N 0 1 375.476 3.023 20 0 GGADMN COc1ccc(CCC(=O)N2CCCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000174776026 1427360649 /nfs/dbraw/zinc/36/06/49/1427360649.db2.gz LEQGUTVJIQJHFG-HSZRJFAPSA-N 0 1 396.531 3.204 20 0 GGADMN COc1ccc(CCC(=O)N2CCCN(C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000174776032 1427360676 /nfs/dbraw/zinc/36/06/76/1427360676.db2.gz LEQGUTVJIQJHFG-QHCPKHFHSA-N 0 1 396.531 3.204 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)[nH]1 ZINC000174775295 1427360810 /nfs/dbraw/zinc/36/08/10/1427360810.db2.gz JFHMQKKKOMRQSZ-CYBMUJFWSA-N 0 1 377.514 3.120 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000174781592 1427363671 /nfs/dbraw/zinc/36/36/71/1427363671.db2.gz FKBSHAHFPQJPAP-QGZVFWFLSA-N 0 1 384.524 3.104 20 0 GGADMN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)CC)ccc2F)C1 ZINC000174781934 1427364363 /nfs/dbraw/zinc/36/43/63/1427364363.db2.gz KIINCQRBIHUQOZ-HNNXBMFYSA-N 0 1 398.544 3.250 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000174782833 1427364457 /nfs/dbraw/zinc/36/44/57/1427364457.db2.gz WETKAGHEODNIPW-KRWDZBQOSA-N 0 1 392.975 3.430 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000174785044 1427365808 /nfs/dbraw/zinc/36/58/08/1427365808.db2.gz NODNTOCFHLHSQH-AUSIDOKSSA-N 0 1 392.547 3.132 20 0 GGADMN CN(CCC(=O)Nc1cccc2ccccc21)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174785072 1427366686 /nfs/dbraw/zinc/36/66/86/1427366686.db2.gz QQDPKNVICCNTIS-PMACEKPBSA-N 0 1 388.533 3.456 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC[C@H]1CCC[C@H](O)C1 ZINC000174786221 1427366924 /nfs/dbraw/zinc/36/69/24/1427366924.db2.gz ZHEJNYAOOWZPDI-HKUYNNGSSA-N 0 1 393.959 3.402 20 0 GGADMN Cc1cc(NC(=O)CCN2CCN([C@H](C)c3ccc(Cl)cc3)CC2)no1 ZINC000174795264 1427372984 /nfs/dbraw/zinc/37/29/84/1427372984.db2.gz SYYVAGSCFFSQPG-OAHLLOKOSA-N 0 1 376.888 3.344 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)Cc3nnc[nH]3)ccc21 ZINC000174804304 1427378041 /nfs/dbraw/zinc/37/80/41/1427378041.db2.gz QGCZDNANIDJEMW-AWEZNQCLSA-N 0 1 376.464 3.392 20 0 GGADMN C[C@@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1ccc(Cl)cc1 ZINC000174817822 1427384959 /nfs/dbraw/zinc/38/49/59/1427384959.db2.gz YTBFKVXRUJALLO-JTQLQIEISA-N 0 1 389.864 3.063 20 0 GGADMN CN(CC(=O)Nc1cc(F)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828131 1427390175 /nfs/dbraw/zinc/39/01/75/1427390175.db2.gz PLFCWADEMNOFRR-UHFFFAOYSA-N 0 1 383.439 3.235 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1 ZINC000174828596 1427390642 /nfs/dbraw/zinc/39/06/42/1427390642.db2.gz XFNLXEYHYIUXPC-UHFFFAOYSA-N 0 1 384.524 3.058 20 0 GGADMN Clc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822585684 1427393882 /nfs/dbraw/zinc/39/38/82/1427393882.db2.gz KMUOXIJGHSFYBN-SFHVURJKSA-N 0 1 395.898 3.161 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)cc1 ZINC000174841695 1427400236 /nfs/dbraw/zinc/40/02/36/1427400236.db2.gz GZFHUEPYAPPRDI-RBUKOAKNSA-N 0 1 386.540 3.230 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Nc1cnn(CC(F)F)c1)N1CCCC1 ZINC000174846772 1427403999 /nfs/dbraw/zinc/40/39/99/1427403999.db2.gz AGTZUASMARQNJW-INIZCTEOSA-N 0 1 393.438 3.115 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)[nH]c2c1 ZINC000174863838 1427415632 /nfs/dbraw/zinc/41/56/32/1427415632.db2.gz RAOLIAZBVAHZAT-DOTOQJQBSA-N 0 1 376.460 3.097 20 0 GGADMN Cc1ccc(-n2cnnc2SCC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174864620 1427416318 /nfs/dbraw/zinc/41/63/18/1427416318.db2.gz OTFXMSFMQUORSC-UHFFFAOYSA-N 0 1 392.488 3.169 20 0 GGADMN O=CNc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000174865847 1427417039 /nfs/dbraw/zinc/41/70/39/1427417039.db2.gz PYBZZDJDBVBWLB-SFHVURJKSA-N 0 1 391.393 3.278 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)N1CCOCC1 ZINC000174867235 1427417953 /nfs/dbraw/zinc/41/79/53/1427417953.db2.gz OWJTUGVUUUPLFQ-QZTJIDSGSA-N 0 1 394.585 3.339 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@]34CCC(=O)N3c3ccccc3S4)[nH]c2c1 ZINC000174868918 1427418514 /nfs/dbraw/zinc/41/85/14/1427418514.db2.gz YPANUNUEULANTH-HXUWFJFHSA-N 0 1 378.457 3.117 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCCN3C(=O)c3cccs3)[nH]c2c1 ZINC000174868724 1427418664 /nfs/dbraw/zinc/41/86/64/1427418664.db2.gz IRYDEDOAAMVFPE-MRXNPFEDSA-N 0 1 382.489 3.244 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)[nH]c2c1 ZINC000174868712 1427418891 /nfs/dbraw/zinc/41/88/91/1427418891.db2.gz IRYDEDOAAMVFPE-INIZCTEOSA-N 0 1 382.489 3.244 20 0 GGADMN CC(=O)N[C@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)c1c(F)cccc1F ZINC000174870390 1427419598 /nfs/dbraw/zinc/41/95/98/1427419598.db2.gz VPKSXNJOQQVISX-QGZVFWFLSA-N 0 1 386.402 3.033 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@]3(C)CCCN(C(=O)c4ccccc4)C3)[nH]c2c1 ZINC000174876706 1427421824 /nfs/dbraw/zinc/42/18/24/1427421824.db2.gz JXYPWBGYXFGSDA-HSZRJFAPSA-N 0 1 390.487 3.430 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174879372 1427424157 /nfs/dbraw/zinc/42/41/57/1427424157.db2.gz KFDKVPZSMTUQCJ-UHFFFAOYSA-N 0 1 387.443 3.173 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)[nH]c2c1 ZINC000174879027 1427424192 /nfs/dbraw/zinc/42/41/92/1427424192.db2.gz UDLBELGVHBKBHL-MRXNPFEDSA-N 0 1 376.460 3.157 20 0 GGADMN O=C(Nc1cnn(Cc2ccccn2)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000174879132 1427424278 /nfs/dbraw/zinc/42/42/78/1427424278.db2.gz SNONXXCDDWAZMD-UHFFFAOYSA-N 0 1 390.491 3.066 20 0 GGADMN CCOC(=O)c1cc2cc(C(=O)NCc3nc4ccc(C)cc4[nH]3)ccc2[nH]1 ZINC000174879695 1427424299 /nfs/dbraw/zinc/42/42/99/1427424299.db2.gz PCXGURJEHGJMQO-UHFFFAOYSA-N 0 1 376.416 3.459 20 0 GGADMN CC(=O)CCc1ccc(OCCC(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174881442 1427424844 /nfs/dbraw/zinc/42/48/44/1427424844.db2.gz IQYHXOSQQUWCML-UHFFFAOYSA-N 0 1 379.460 3.478 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C3CCCCC3)[nH]c2c1 ZINC000174881849 1427425926 /nfs/dbraw/zinc/42/59/26/1427425926.db2.gz SIBGBODTRMEMEU-IBGZPJMESA-N 0 1 391.537 3.260 20 0 GGADMN CC(=O)N[C@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)c1ccc(Cl)cc1 ZINC000174883934 1427426756 /nfs/dbraw/zinc/42/67/56/1427426756.db2.gz PGRDPIWQXZQLKJ-QGZVFWFLSA-N 0 1 384.867 3.408 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)[nH]1 ZINC000174895250 1427432113 /nfs/dbraw/zinc/43/21/13/1427432113.db2.gz MLWHAMOBPBZJLS-AREMUKBSSA-N 0 1 386.502 3.152 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)n1 ZINC000174895250 1427432117 /nfs/dbraw/zinc/43/21/17/1427432117.db2.gz MLWHAMOBPBZJLS-AREMUKBSSA-N 0 1 386.502 3.152 20 0 GGADMN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174895808 1427433013 /nfs/dbraw/zinc/43/30/13/1427433013.db2.gz AJRGEGVDDDJGKZ-GOSISDBHSA-N 0 1 378.476 3.015 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000174900552 1427435148 /nfs/dbraw/zinc/43/51/48/1427435148.db2.gz JBPLXNWFOIAHSA-GOSISDBHSA-N 0 1 390.572 3.283 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)C(=O)N1CCCCCC1 ZINC000174900605 1427435317 /nfs/dbraw/zinc/43/53/17/1427435317.db2.gz CODZFGMANMEJLM-SFHVURJKSA-N 0 1 388.556 3.040 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C)C(=O)Nc1ccccc1 ZINC000174901550 1427435887 /nfs/dbraw/zinc/43/58/87/1427435887.db2.gz JBUNKFQOZWQJIB-QGZVFWFLSA-N 0 1 382.508 3.276 20 0 GGADMN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174901815 1427436296 /nfs/dbraw/zinc/43/62/96/1427436296.db2.gz QRSWODYNXAOQQG-INIZCTEOSA-N 0 1 379.460 3.477 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CCN(c2ccccc2)C1=O ZINC000174901065 1427436380 /nfs/dbraw/zinc/43/63/80/1427436380.db2.gz UGASJXPPQUNPAX-OAQYLSRUSA-N 0 1 394.519 3.055 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1ccc2ncccc2c1 ZINC000174902669 1427436765 /nfs/dbraw/zinc/43/67/65/1427436765.db2.gz IGCZWUOGLICDLM-UHFFFAOYSA-N 0 1 397.442 3.239 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)[nH]c2c1 ZINC000174902627 1427436943 /nfs/dbraw/zinc/43/69/43/1427436943.db2.gz AUGAVRBUFBUBAL-QGZVFWFLSA-N 0 1 376.460 3.040 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)[nH]c2c1 ZINC000174903859 1427437992 /nfs/dbraw/zinc/43/79/92/1427437992.db2.gz LXDJGWSTFUKKTI-IBGZPJMESA-N 0 1 382.439 3.081 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000174905655 1427438774 /nfs/dbraw/zinc/43/87/74/1427438774.db2.gz VQPHMXUASLCEBC-NRFANRHFSA-N 0 1 398.503 3.404 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)[nH]c2c1 ZINC000174905365 1427438806 /nfs/dbraw/zinc/43/88/06/1427438806.db2.gz IQEXWIIEHPGEOV-CYBMUJFWSA-N 0 1 382.851 3.194 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000174906381 1427439389 /nfs/dbraw/zinc/43/93/89/1427439389.db2.gz LNVWIEUAEPBRHB-JOCHJYFZSA-N 0 1 395.503 3.346 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)C2)n1 ZINC000174920273 1427446592 /nfs/dbraw/zinc/44/65/92/1427446592.db2.gz FUYSEOMFCRWSFZ-FCHUYYIVSA-N 0 1 395.551 3.188 20 0 GGADMN COc1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)ccc1OC(F)F ZINC000737047704 1427448935 /nfs/dbraw/zinc/44/89/35/1427448935.db2.gz RAXBTUNIVTWQAP-UHFFFAOYSA-N 0 1 398.373 3.059 20 0 GGADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(CN2CCCCC2=O)CC1 ZINC000174930069 1427450839 /nfs/dbraw/zinc/45/08/39/1427450839.db2.gz BHBUARHJRWLLDI-QFIPXVFZSA-N 0 1 397.563 3.292 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1N1CCOC1=O ZINC000174942110 1427457817 /nfs/dbraw/zinc/45/78/17/1427457817.db2.gz WPIZQQWQFBNBPF-MRXNPFEDSA-N 0 1 388.493 3.438 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cc(F)cc4nc[nH]c43)ccc2NC1=O ZINC000174945275 1427458986 /nfs/dbraw/zinc/45/89/86/1427458986.db2.gz HFJTZQZUEFFJCI-QFYYESIMSA-N 0 1 382.395 3.303 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(-c3cccnc3)cs2)[nH]n1 ZINC000174944729 1427459420 /nfs/dbraw/zinc/45/94/20/1427459420.db2.gz OFAPYWWUKCLORI-UHFFFAOYSA-N 0 1 379.449 3.198 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cc(F)cc4nc[nH]c43)ccc2NC1=O ZINC000174945235 1427459426 /nfs/dbraw/zinc/45/94/26/1427459426.db2.gz HFJTZQZUEFFJCI-HWPZZCPQSA-N 0 1 382.395 3.303 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nnc(-c3ccsc3)s2)[nH]n1 ZINC000174955417 1427464745 /nfs/dbraw/zinc/46/47/45/1427464745.db2.gz YRTGIKWABMNKSK-UHFFFAOYSA-N 0 1 385.478 3.259 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174966512 1427470753 /nfs/dbraw/zinc/47/07/53/1427470753.db2.gz IWVRLGPDHYEILT-QWRGUYRKSA-N 0 1 399.421 3.047 20 0 GGADMN CCn1cnnc1-c1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000174977410 1427475627 /nfs/dbraw/zinc/47/56/27/1427475627.db2.gz IYCXNOOKYWRBPX-UHFFFAOYSA-N 0 1 378.508 3.210 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000174980152 1427477428 /nfs/dbraw/zinc/47/74/28/1427477428.db2.gz PQCGJYOIFJYXLI-UHFFFAOYSA-N 0 1 397.903 3.173 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(F)c(F)c3)C2=O)c1 ZINC000174980893 1427477461 /nfs/dbraw/zinc/47/74/61/1427477461.db2.gz YOOKRMMJSBTCLS-BLVKFPJESA-N 0 1 376.403 3.438 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000738178233 1427477763 /nfs/dbraw/zinc/47/77/63/1427477763.db2.gz HVOLZLYDKSLGSL-LJQANCHMSA-N 0 1 391.479 3.215 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)CCn2c(-c3cccs3)n[nH]c2=S)c1 ZINC000174989726 1427482541 /nfs/dbraw/zinc/48/25/41/1427482541.db2.gz SQLKZSNXARDDIW-UHFFFAOYSA-N 0 1 388.522 3.155 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)c2)CC1 ZINC000174991489 1427483310 /nfs/dbraw/zinc/48/33/10/1427483310.db2.gz CEEQAMAZDHWCOM-SFTDATJTSA-N 0 1 387.568 3.005 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000174991677 1427483344 /nfs/dbraw/zinc/48/33/44/1427483344.db2.gz YCGIFVXIMNYDET-UHFFFAOYSA-N 0 1 376.478 3.123 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 ZINC000174995477 1427486142 /nfs/dbraw/zinc/48/61/42/1427486142.db2.gz RLSYPDLOKYTSDD-AWEZNQCLSA-N 0 1 390.896 3.045 20 0 GGADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000174997918 1427487181 /nfs/dbraw/zinc/48/71/81/1427487181.db2.gz WOIYUMOOPOOGIZ-UHFFFAOYSA-N 0 1 388.489 3.077 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3sc(C)nc3C)C2=O)c1 ZINC000174999407 1427488083 /nfs/dbraw/zinc/48/80/83/1427488083.db2.gz HGMBOANEZMDFQG-YVEFUNNKSA-N 0 1 375.494 3.233 20 0 GGADMN CNC(=O)CC1CCN([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174998855 1427488284 /nfs/dbraw/zinc/48/82/84/1427488284.db2.gz IZDROHSIYZAIJJ-DLBZAZTESA-N 0 1 381.520 3.254 20 0 GGADMN Cc1c(COc2ccccc2)cccc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000175008189 1427494034 /nfs/dbraw/zinc/49/40/34/1427494034.db2.gz BFIKIFGBNINBHQ-GOSISDBHSA-N 0 1 396.535 3.331 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000175011426 1427495834 /nfs/dbraw/zinc/49/58/34/1427495834.db2.gz IUCDAQINLXUXEG-LAUBAEHRSA-N 0 1 385.485 3.419 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)ccc1F ZINC000175013431 1427497673 /nfs/dbraw/zinc/49/76/73/1427497673.db2.gz GSJDIHVKTNHXPF-UHFFFAOYSA-N 0 1 388.367 3.495 20 0 GGADMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000175015770 1427499495 /nfs/dbraw/zinc/49/94/95/1427499495.db2.gz IVYFWBWKZJQEBK-UHFFFAOYSA-N 0 1 384.404 3.099 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(F)c1C ZINC000175016297 1427500104 /nfs/dbraw/zinc/50/01/04/1427500104.db2.gz FUFODSMLXRBPMK-UHFFFAOYSA-N 0 1 380.441 3.035 20 0 GGADMN COC(=O)c1ccc(OC[C@@H](O)CNC2(c3nc(C)cs3)CCCC2)cc1 ZINC000175019037 1427502089 /nfs/dbraw/zinc/50/20/89/1427502089.db2.gz CXXLYASBUHMFFP-INIZCTEOSA-N 0 1 390.505 3.037 20 0 GGADMN C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000175022482 1427503972 /nfs/dbraw/zinc/50/39/72/1427503972.db2.gz HEUDVQHCGNFPJD-HXOBKFHXSA-N 0 1 384.495 3.461 20 0 GGADMN C[C@@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486733 1427508452 /nfs/dbraw/zinc/50/84/52/1427508452.db2.gz CNVTUOABVQDTTR-MRXNPFEDSA-N 0 1 391.475 3.383 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(CCOc4ccccc4)CC3)[nH]c21 ZINC000175029091 1427508597 /nfs/dbraw/zinc/50/85/97/1427508597.db2.gz XGOPGAXCMIMFCT-UHFFFAOYSA-N 0 1 392.503 3.027 20 0 GGADMN CNC(=O)CC1CCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000175036433 1427512218 /nfs/dbraw/zinc/51/22/18/1427512218.db2.gz DCIBXWWLWCLGJI-NRFANRHFSA-N 0 1 399.579 3.496 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](C)c2nc(-c3ccccc3)no2)[nH+]1 ZINC000826262581 1427513895 /nfs/dbraw/zinc/51/38/95/1427513895.db2.gz SGKRCQYLJCNSEG-GFCCVEGCSA-N 0 1 376.424 3.144 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175041547 1427514566 /nfs/dbraw/zinc/51/45/66/1427514566.db2.gz SNVPJROCNGNGQI-SFHVURJKSA-N 0 1 387.455 3.406 20 0 GGADMN CNC(=O)CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000175042461 1427515259 /nfs/dbraw/zinc/51/52/59/1427515259.db2.gz WPNRNHIVILIMOG-IRXDYDNUSA-N 0 1 381.520 3.254 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1C)N1CCCC1 ZINC000175045754 1427516809 /nfs/dbraw/zinc/51/68/09/1427516809.db2.gz HDMUBSQDAJMCLM-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN Cc1nc(C(C)(C)NC(=O)CCN2CCN(c3ccccc3)CC2)sc1C ZINC000175044195 1427517165 /nfs/dbraw/zinc/51/71/65/1427517165.db2.gz AWXGGOAQHDEEIX-UHFFFAOYSA-N 0 1 386.565 3.324 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2Cl)N(C)C)c1 ZINC000175046274 1427517611 /nfs/dbraw/zinc/51/76/11/1427517611.db2.gz PPRTZJIMZAXTSH-QGZVFWFLSA-N 0 1 389.883 3.015 20 0 GGADMN Cc1c(F)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000175046622 1427517886 /nfs/dbraw/zinc/51/78/86/1427517886.db2.gz YRZSZBRBKGYHPU-MRXNPFEDSA-N 0 1 375.469 3.087 20 0 GGADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000175050492 1427520042 /nfs/dbraw/zinc/52/00/42/1427520042.db2.gz PXAWUGOKIRVARL-ICSRJNTNSA-N 0 1 396.510 3.137 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4cccc(O)c4)CC3)n[nH]2)cc1 ZINC000175052515 1427521509 /nfs/dbraw/zinc/52/15/09/1427521509.db2.gz ZVGTWJRYQMTDFI-UHFFFAOYSA-N 0 1 376.460 3.049 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000175054086 1427522246 /nfs/dbraw/zinc/52/22/46/1427522246.db2.gz UBGVLBRMQGNXHU-FGZHOGPDSA-N 0 1 392.547 3.121 20 0 GGADMN C[C@H]1SCC[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)[C@@H]1c1ccccc1 ZINC000825021037 1427523075 /nfs/dbraw/zinc/52/30/75/1427523075.db2.gz OHQCKBUBUHTNRO-KUHUBIRLSA-N 0 1 391.504 3.193 20 0 GGADMN CS[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826226866 1427526591 /nfs/dbraw/zinc/52/65/91/1427526591.db2.gz HQZUSZUAILSIBM-SJORKVTESA-N 0 1 383.525 3.031 20 0 GGADMN C[C@H](C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)N1CCc2ccccc2C1 ZINC000175064921 1427527071 /nfs/dbraw/zinc/52/70/71/1427527071.db2.gz YLPDGQGQYKQDQY-GCJKJVERSA-N 0 1 386.536 3.010 20 0 GGADMN Cc1cc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)nc(C)[nH+]1 ZINC000822206835 1427531365 /nfs/dbraw/zinc/53/13/65/1427531365.db2.gz AUDDWRCJYKAHOO-CQSZACIVSA-N 0 1 384.875 3.008 20 0 GGADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175078853 1427534601 /nfs/dbraw/zinc/53/46/01/1427534601.db2.gz GPHHAIHXQLKWAY-UHFFFAOYSA-N 0 1 389.459 3.089 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826238125 1427535264 /nfs/dbraw/zinc/53/52/64/1427535264.db2.gz WYYAOJWKMAFIGN-ZFWWWQNUSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238125 1427535267 /nfs/dbraw/zinc/53/52/67/1427535267.db2.gz WYYAOJWKMAFIGN-ZFWWWQNUSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1c(Cl)cnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826238125 1427535271 /nfs/dbraw/zinc/53/52/71/1427535271.db2.gz WYYAOJWKMAFIGN-ZFWWWQNUSA-N 0 1 389.935 3.314 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000822220208 1427535644 /nfs/dbraw/zinc/53/56/44/1427535644.db2.gz ICBWNKIQRBPQEX-UHFFFAOYSA-N 0 1 385.516 3.055 20 0 GGADMN COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821890704 1427535749 /nfs/dbraw/zinc/53/57/49/1427535749.db2.gz OLEDMXWEJBFHLX-GOSISDBHSA-N 0 1 392.463 3.041 20 0 GGADMN COc1ccc([C@@H]([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)C2CC2)cc1 ZINC000737077799 1427541259 /nfs/dbraw/zinc/54/12/59/1427541259.db2.gz YRMCLLMXDMQRKU-FQEVSTJZSA-N 0 1 395.463 3.004 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000736900091 1427547286 /nfs/dbraw/zinc/54/72/86/1427547286.db2.gz CNCKJLXJRGYQAV-FQEVSTJZSA-N 0 1 391.475 3.036 20 0 GGADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000175101913 1427547407 /nfs/dbraw/zinc/54/74/07/1427547407.db2.gz UXGPHJZZXKTEJC-UHFFFAOYSA-N 0 1 396.516 3.011 20 0 GGADMN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825953900 1427548853 /nfs/dbraw/zinc/54/88/53/1427548853.db2.gz QQIMEKYATFLCJW-GJZGRUSLSA-N 0 1 396.303 3.325 20 0 GGADMN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825953900 1427548856 /nfs/dbraw/zinc/54/88/56/1427548856.db2.gz QQIMEKYATFLCJW-GJZGRUSLSA-N 0 1 396.303 3.325 20 0 GGADMN CN1CCOc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc21 ZINC000175107926 1427551034 /nfs/dbraw/zinc/55/10/34/1427551034.db2.gz LKXDLSJQQPBYQA-SFHVURJKSA-N 0 1 384.480 3.457 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1Cl)c1ccco1 ZINC000175112729 1427553123 /nfs/dbraw/zinc/55/31/23/1427553123.db2.gz WWFZZJNAVDAYSQ-OAHLLOKOSA-N 0 1 377.872 3.379 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCC3(c4cccc(F)c4)CC3)c2)CC1 ZINC000175113808 1427553918 /nfs/dbraw/zinc/55/39/18/1427553918.db2.gz UYQTYOFVTOIKKJ-UHFFFAOYSA-N 0 1 381.495 3.035 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736288141 1427554839 /nfs/dbraw/zinc/55/48/39/1427554839.db2.gz RBVHHDKCYDSGGB-GASCZTMLSA-N 0 1 396.470 3.227 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736288141 1427554843 /nfs/dbraw/zinc/55/48/43/1427554843.db2.gz RBVHHDKCYDSGGB-GASCZTMLSA-N 0 1 396.470 3.227 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2C)N2CCCC2)cc1 ZINC000175117291 1427555571 /nfs/dbraw/zinc/55/55/71/1427555571.db2.gz DTQIOOUTXGGRKZ-FQEVSTJZSA-N 0 1 383.467 3.334 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175122439 1427558648 /nfs/dbraw/zinc/55/86/48/1427558648.db2.gz RNZHVZKSMCGGDA-UHFFFAOYSA-N 0 1 388.443 3.046 20 0 GGADMN CNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826068680 1427561021 /nfs/dbraw/zinc/56/10/21/1427561021.db2.gz WGHFBQCHWYMZTK-UHFFFAOYSA-N 0 1 398.470 3.183 20 0 GGADMN c1c2c(nc(N3CCC(C[NH+]4CCCCCC4)CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826511946 1427564687 /nfs/dbraw/zinc/56/46/87/1427564687.db2.gz KDXWTVQLCWHFER-UHFFFAOYSA-N 0 1 395.555 3.233 20 0 GGADMN CC(C)Nc1cc(F)ccc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000175145651 1427568009 /nfs/dbraw/zinc/56/80/09/1427568009.db2.gz JHPWOPUEYIKKBD-UHFFFAOYSA-N 0 1 383.427 3.281 20 0 GGADMN CN(CCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000175152642 1427571068 /nfs/dbraw/zinc/57/10/68/1427571068.db2.gz HVASVNMUMWJFJV-UHFFFAOYSA-N 0 1 398.482 3.315 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000175159108 1427573921 /nfs/dbraw/zinc/57/39/21/1427573921.db2.gz LNWUVKRALXMYRR-MRXNPFEDSA-N 0 1 396.535 3.331 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C2CC2)C2CCCC2)N(C)C)cc1OC ZINC000175169659 1427579983 /nfs/dbraw/zinc/57/99/83/1427579983.db2.gz DGAFNJDWCWCZFB-GOSISDBHSA-N 0 1 375.513 3.423 20 0 GGADMN CN(CCNC(=O)Nc1cccc(N2CCOC2=O)c1)Cc1ccc(F)cc1 ZINC000175177493 1427583958 /nfs/dbraw/zinc/58/39/58/1427583958.db2.gz WWXYXTBUYOYZRE-UHFFFAOYSA-N 0 1 386.427 3.036 20 0 GGADMN COC[C@@H](NC(=O)NC[C@H](c1ccccc1OC)N1CCCC1)c1ccco1 ZINC000175179492 1427584449 /nfs/dbraw/zinc/58/44/49/1427584449.db2.gz RKIIBEDUFMSIHR-QZTJIDSGSA-N 0 1 387.480 3.112 20 0 GGADMN Cc1cnc([C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C2CC2)s1 ZINC000175179995 1427585626 /nfs/dbraw/zinc/58/56/26/1427585626.db2.gz ZSWUSWQXUFOGFE-SFHVURJKSA-N 0 1 385.537 3.261 20 0 GGADMN Cc1cccc(O[C@H](C)CNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000175180084 1427585663 /nfs/dbraw/zinc/58/56/63/1427585663.db2.gz RSEKEVOEXNTMSB-GOSISDBHSA-N 0 1 382.508 3.121 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000735560270 1427588770 /nfs/dbraw/zinc/58/87/70/1427588770.db2.gz DFCBLZOLXSEFNU-HIFRSBDPSA-N 0 1 396.882 3.337 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000175196359 1427592648 /nfs/dbraw/zinc/59/26/48/1427592648.db2.gz OZRYMAFQDZYIHE-SCLBCKFNSA-N 0 1 392.908 3.200 20 0 GGADMN O=C1CCCN1Cc1ccccc1CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175199380 1427595507 /nfs/dbraw/zinc/59/55/07/1427595507.db2.gz GDACBGKNNBVAJP-HXUWFJFHSA-N 0 1 397.906 3.358 20 0 GGADMN O=C(c1cccnc1)N1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000175199921 1427595544 /nfs/dbraw/zinc/59/55/44/1427595544.db2.gz SAPXLKDFKZACNW-UHFFFAOYSA-N 0 1 395.846 3.192 20 0 GGADMN Cc1cccc2c(CCNC(=O)NC3CCN(Cc4ccncc4)CC3)c[nH]c21 ZINC000175212361 1427603909 /nfs/dbraw/zinc/60/39/09/1427603909.db2.gz UFXSPLZETKNIPA-UHFFFAOYSA-N 0 1 391.519 3.378 20 0 GGADMN CNC(=O)c1ccc(Cl)c(NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175211630 1427604583 /nfs/dbraw/zinc/60/45/83/1427604583.db2.gz QFUOWMROTAUSOE-UHFFFAOYSA-N 0 1 392.862 3.092 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(N2CCCNC2=O)c1 ZINC000175212968 1427605124 /nfs/dbraw/zinc/60/51/24/1427605124.db2.gz WJWRDYGVWXVFAK-SFHVURJKSA-N 0 1 398.532 3.235 20 0 GGADMN CN(CCc1ccccn1)C(=O)CNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000175216714 1427607913 /nfs/dbraw/zinc/60/79/13/1427607913.db2.gz YJPMWQHWYOCGRY-UHFFFAOYSA-N 0 1 397.862 3.025 20 0 GGADMN Cc1cccc(O[C@@H](C)CNC(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000175216193 1427608411 /nfs/dbraw/zinc/60/84/11/1427608411.db2.gz OIPKNEBVXPDDTE-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2F)CC1 ZINC000175218637 1427609149 /nfs/dbraw/zinc/60/91/49/1427609149.db2.gz KTOMEZDIPYZKLH-UHFFFAOYSA-N 0 1 375.419 3.453 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175220998 1427611026 /nfs/dbraw/zinc/61/10/26/1427611026.db2.gz MWONGFVMXICWNO-WMZHIEFXSA-N 0 1 377.488 3.080 20 0 GGADMN COc1ccc(-n2c(CN3CCC[C@@H](CC(N)=O)C3)nc3ccccc32)cc1 ZINC000175224070 1427612027 /nfs/dbraw/zinc/61/20/27/1427612027.db2.gz OHVFXQWZAGFMFM-INIZCTEOSA-N 0 1 378.476 3.122 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175224946 1427612851 /nfs/dbraw/zinc/61/28/51/1427612851.db2.gz QZLDZVBLRROUKV-IEBWSBKVSA-N 0 1 379.504 3.192 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175237266 1427618937 /nfs/dbraw/zinc/61/89/37/1427618937.db2.gz CLPZFNWZDJBAFG-IEBWSBKVSA-N 0 1 395.503 3.180 20 0 GGADMN CC1(C)Cc2nc(NC(=O)c3cccc(N4CCC[NH+]=C4[O-])c3)sc2C(=O)C1 ZINC000175256366 1427628916 /nfs/dbraw/zinc/62/89/16/1427628916.db2.gz CGLCFMBKQOFANI-UHFFFAOYSA-N 0 1 398.488 3.470 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](CC(N)=O)C1 ZINC000175255906 1427629026 /nfs/dbraw/zinc/62/90/26/1427629026.db2.gz HROTWZYWGATSOW-WDEREUQCSA-N 0 1 391.821 3.273 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](C)Oc3cccc(C)c3)n2)cc1 ZINC000175261288 1427631497 /nfs/dbraw/zinc/63/14/97/1427631497.db2.gz PRTAYKFZZCUZBF-HNNXBMFYSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@H](C)Oc3cccc(C)c3)n[nH]2)cc1 ZINC000175261288 1427631506 /nfs/dbraw/zinc/63/15/06/1427631506.db2.gz PRTAYKFZZCUZBF-HNNXBMFYSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)n2)cc1 ZINC000175262132 1427631949 /nfs/dbraw/zinc/63/19/49/1427631949.db2.gz PCCYKJKFJDVHGP-AUUYWEPGSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)n[nH]2)cc1 ZINC000175262132 1427631955 /nfs/dbraw/zinc/63/19/55/1427631955.db2.gz PCCYKJKFJDVHGP-AUUYWEPGSA-N 0 1 377.448 3.383 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3Cc4ccccc4C[C@H]3C)n2)cc1 ZINC000175261699 1427632381 /nfs/dbraw/zinc/63/23/81/1427632381.db2.gz QLBKSUXACIOWLU-CQSZACIVSA-N 0 1 377.448 3.137 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3Cc4ccccc4C[C@H]3C)n[nH]2)cc1 ZINC000175261699 1427632387 /nfs/dbraw/zinc/63/23/87/1427632387.db2.gz QLBKSUXACIOWLU-CQSZACIVSA-N 0 1 377.448 3.137 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](C)Oc3ccccc3C)n2)cc1 ZINC000175262344 1427632438 /nfs/dbraw/zinc/63/24/38/1427632438.db2.gz BDCSTMPEXLJAHS-HNNXBMFYSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@H](C)Oc3ccccc3C)n[nH]2)cc1 ZINC000175262344 1427632447 /nfs/dbraw/zinc/63/24/47/1427632447.db2.gz BDCSTMPEXLJAHS-HNNXBMFYSA-N 0 1 395.463 3.055 20 0 GGADMN CCSCC[C@@H](C)N(C)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000175262054 1427632528 /nfs/dbraw/zinc/63/25/28/1427632528.db2.gz DAJLIIWEJAILEA-CYBMUJFWSA-N 0 1 377.514 3.153 20 0 GGADMN CCSCC[C@@H](C)N(C)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000175262054 1427632534 /nfs/dbraw/zinc/63/25/34/1427632534.db2.gz DAJLIIWEJAILEA-CYBMUJFWSA-N 0 1 377.514 3.153 20 0 GGADMN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000175267717 1427635885 /nfs/dbraw/zinc/63/58/85/1427635885.db2.gz YLXZPXMKJGOESC-PMACEKPBSA-N 0 1 375.582 3.228 20 0 GGADMN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](CC(N)=O)C1 ZINC000175269604 1427637775 /nfs/dbraw/zinc/63/77/75/1427637775.db2.gz FYXSBQARPZUSRD-VXGBXAGGSA-N 0 1 382.386 3.404 20 0 GGADMN Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822242830 1427638804 /nfs/dbraw/zinc/63/88/04/1427638804.db2.gz ZEDSTRGLNGCTQS-CYBMUJFWSA-N 0 1 384.871 3.335 20 0 GGADMN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(Cl)c1O ZINC000175272865 1427639851 /nfs/dbraw/zinc/63/98/51/1427639851.db2.gz QAGCAIRMJBCRRZ-KRWDZBQOSA-N 0 1 389.814 3.352 20 0 GGADMN COCCOc1ccccc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175272846 1427640301 /nfs/dbraw/zinc/64/03/01/1427640301.db2.gz MOQXZRNBQRXLJG-UHFFFAOYSA-N 0 1 375.444 3.104 20 0 GGADMN CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001139852894 1427649659 /nfs/dbraw/zinc/64/96/59/1427649659.db2.gz YZFULPGEUVUSME-FKBYEOEOSA-N 0 1 388.519 3.477 20 0 GGADMN CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001139852894 1427649661 /nfs/dbraw/zinc/64/96/61/1427649661.db2.gz YZFULPGEUVUSME-FKBYEOEOSA-N 0 1 388.519 3.477 20 0 GGADMN CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001139852894 1427649668 /nfs/dbraw/zinc/64/96/68/1427649668.db2.gz YZFULPGEUVUSME-FKBYEOEOSA-N 0 1 388.519 3.477 20 0 GGADMN CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001139852894 1427649672 /nfs/dbraw/zinc/64/96/72/1427649672.db2.gz YZFULPGEUVUSME-FKBYEOEOSA-N 0 1 388.519 3.477 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000820112078 1427653553 /nfs/dbraw/zinc/65/35/53/1427653553.db2.gz IOXKAQIWDDUCMT-UHFFFAOYSA-N 0 1 387.491 3.289 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1csc(CC)n1 ZINC000175296215 1427654533 /nfs/dbraw/zinc/65/45/33/1427654533.db2.gz LXRJHGBTYSEZLQ-UHFFFAOYSA-N 0 1 388.537 3.037 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)c1c(C)noc1C ZINC000175298821 1427658127 /nfs/dbraw/zinc/65/81/27/1427658127.db2.gz ZODVIVBZVWSVAB-CQSZACIVSA-N 0 1 386.496 3.184 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1COC ZINC000175300716 1427660329 /nfs/dbraw/zinc/66/03/29/1427660329.db2.gz AGODODYNERTFDI-UHFFFAOYSA-N 0 1 383.492 3.236 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)cc(F)c1 ZINC000175304805 1427663200 /nfs/dbraw/zinc/66/32/00/1427663200.db2.gz WQCHGASPJMLJOK-UHFFFAOYSA-N 0 1 375.419 3.368 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000175305483 1427663833 /nfs/dbraw/zinc/66/38/33/1427663833.db2.gz PZZHRHSLPAYNQR-QGZVFWFLSA-N 0 1 383.492 3.243 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000175305215 1427664315 /nfs/dbraw/zinc/66/43/15/1427664315.db2.gz RVYWJSPRNJGMSK-UHFFFAOYSA-N 0 1 399.539 3.349 20 0 GGADMN CCc1c(NC(=O)c2cccc(N3CCCNC3=O)c2)[nH]nc1-c1ccncc1 ZINC000175305750 1427664548 /nfs/dbraw/zinc/66/45/48/1427664548.db2.gz CVZUZORGISKUDL-UHFFFAOYSA-N 0 1 390.447 3.206 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC[C@H]1c1cccc(F)c1 ZINC000175314681 1427670897 /nfs/dbraw/zinc/67/08/97/1427670897.db2.gz XHHMGMOBAJTWAF-KRWDZBQOSA-N 0 1 383.448 3.188 20 0 GGADMN Cc1cccc([C@H]2CCCN2C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000175318713 1427673846 /nfs/dbraw/zinc/67/38/46/1427673846.db2.gz KSOPIZNLIAAJJN-GOSISDBHSA-N 0 1 379.485 3.357 20 0 GGADMN C[N@@H+](CCNc1nc2ccccc2cc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821602441 1427677273 /nfs/dbraw/zinc/67/72/73/1427677273.db2.gz CAJGPAMGHWMMGA-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN C[N@H+](CCNc1nc2ccccc2cc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000821602441 1427677274 /nfs/dbraw/zinc/67/72/74/1427677274.db2.gz CAJGPAMGHWMMGA-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN C[N@@H+](CCNc1nc2ccccc2cc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000821602441 1427677278 /nfs/dbraw/zinc/67/72/78/1427677278.db2.gz CAJGPAMGHWMMGA-UHFFFAOYSA-N 0 1 377.427 3.098 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N(C)CC3CCCCC3)CC2)cc1 ZINC000175322572 1427677302 /nfs/dbraw/zinc/67/73/02/1427677302.db2.gz RXIWVWDXLSCMBT-UHFFFAOYSA-N 0 1 399.579 3.362 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000175323043 1427677561 /nfs/dbraw/zinc/67/75/61/1427677561.db2.gz HGGLSWTZCYZSBJ-IBGZPJMESA-N 0 1 393.531 3.201 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000175323064 1427678343 /nfs/dbraw/zinc/67/83/43/1427678343.db2.gz HGGLSWTZCYZSBJ-LJQANCHMSA-N 0 1 393.531 3.201 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@@H]1CCc2c1cccc2Cl ZINC000175324909 1427679012 /nfs/dbraw/zinc/67/90/12/1427679012.db2.gz RMTIXNVSRCWOLV-MRXNPFEDSA-N 0 1 385.876 3.142 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)cc1 ZINC000175324821 1427679098 /nfs/dbraw/zinc/67/90/98/1427679098.db2.gz BWNKSVNHCGSHBE-OAQYLSRUSA-N 0 1 388.458 3.335 20 0 GGADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(COCC2CC2)c1 ZINC000175328199 1427681846 /nfs/dbraw/zinc/68/18/46/1427681846.db2.gz SIUIWRRVMQONBL-UHFFFAOYSA-N 0 1 395.484 3.251 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1 ZINC000175329189 1427682355 /nfs/dbraw/zinc/68/23/55/1427682355.db2.gz UXIYSNXFSFLUET-JOCHJYFZSA-N 0 1 393.531 3.153 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000175329250 1427682628 /nfs/dbraw/zinc/68/26/28/1427682628.db2.gz FGPCOBZXVIIJOR-IBGZPJMESA-N 0 1 385.552 3.114 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCN1C[C@@H](C)O ZINC000175332367 1427685163 /nfs/dbraw/zinc/68/51/63/1427685163.db2.gz YBAJALVCRNBRFW-AEFFLSMTSA-N 0 1 375.513 3.317 20 0 GGADMN COC[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000175337379 1427688618 /nfs/dbraw/zinc/68/86/18/1427688618.db2.gz CDWTXRSCATVXBB-SFHVURJKSA-N 0 1 375.444 3.070 20 0 GGADMN CCN(Cc1c(F)cccc1F)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175336864 1427688766 /nfs/dbraw/zinc/68/87/66/1427688766.db2.gz FXMIIJLTKVXXTH-UHFFFAOYSA-N 0 1 389.427 3.012 20 0 GGADMN CC(C)CSCCC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824275462 1427688809 /nfs/dbraw/zinc/68/88/09/1427688809.db2.gz SYTOELKPTZZARO-UHFFFAOYSA-N 0 1 375.542 3.489 20 0 GGADMN Brc1ccc2c(c1)C=C(C[NH2+]Cc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC000735369023 1427691344 /nfs/dbraw/zinc/69/13/44/1427691344.db2.gz RLKLCDBPAKEDFS-UHFFFAOYSA-N 0 1 398.264 3.195 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824875892 1427693054 /nfs/dbraw/zinc/69/30/54/1427693054.db2.gz PHMKCDFCCWMDON-KBPBESRZSA-N 0 1 390.919 3.008 20 0 GGADMN CN(CCNC(=O)Nc1ccc2c(c1)CCCC(=O)N2)Cc1ccc(F)cc1 ZINC000175345453 1427694539 /nfs/dbraw/zinc/69/45/39/1427694539.db2.gz SOFAHYCNCSUYPE-UHFFFAOYSA-N 0 1 384.455 3.354 20 0 GGADMN CC[C@H](NC(=O)N1CC[C@H](N2CCN(CC)CC2)C1)C(C)(C)c1ccccc1 ZINC000175350156 1427698275 /nfs/dbraw/zinc/69/82/75/1427698275.db2.gz DLLURFMUNDUFDM-SFTDATJTSA-N 0 1 386.584 3.164 20 0 GGADMN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175360883 1427706112 /nfs/dbraw/zinc/70/61/12/1427706112.db2.gz VTNRTGCECXBODY-GOEBONIOSA-N 0 1 379.485 3.090 20 0 GGADMN Clc1ccc2oc(C3CC[NH+](Cc4ccnc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826353044 1427714796 /nfs/dbraw/zinc/71/47/96/1427714796.db2.gz YWMGYRGQNDMREJ-UHFFFAOYSA-N 0 1 395.854 3.436 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175372462 1427715197 /nfs/dbraw/zinc/71/51/97/1427715197.db2.gz WKSRDZUJCNIWJS-UXHICEINSA-N 0 1 399.560 3.404 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175372482 1427715264 /nfs/dbraw/zinc/71/52/64/1427715264.db2.gz WKSRDZUJCNIWJS-PMACEKPBSA-N 0 1 399.560 3.404 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000736134973 1427715577 /nfs/dbraw/zinc/71/55/77/1427715577.db2.gz XFTCGVNRTIYBML-MNOVXSKESA-N 0 1 388.834 3.337 20 0 GGADMN COc1ccc([C@@H](C)CCNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000175373363 1427716436 /nfs/dbraw/zinc/71/64/36/1427716436.db2.gz WVCXNVNBHYEQQZ-AWEZNQCLSA-N 0 1 397.500 3.004 20 0 GGADMN CCN1CCC[C@H]1CNC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000175386262 1427723975 /nfs/dbraw/zinc/72/39/75/1427723975.db2.gz QMGHXDIRGPGKOE-HNNXBMFYSA-N 0 1 397.441 3.193 20 0 GGADMN O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738387992 1427726766 /nfs/dbraw/zinc/72/67/66/1427726766.db2.gz RATLGFNAOXEKBL-IBGZPJMESA-N 0 1 385.418 3.091 20 0 GGADMN O=C(NCc1cccc2cccnc21)NCC1(CN2CCOCC2)CCCCC1 ZINC000175393652 1427728689 /nfs/dbraw/zinc/72/86/89/1427728689.db2.gz AOEAKGAVCPFPGG-UHFFFAOYSA-N 0 1 396.535 3.317 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824945316 1427728601 /nfs/dbraw/zinc/72/86/01/1427728601.db2.gz BCOZOWZBMZTQOJ-QWRGUYRKSA-N 0 1 397.310 3.024 20 0 GGADMN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945316 1427728608 /nfs/dbraw/zinc/72/86/08/1427728608.db2.gz BCOZOWZBMZTQOJ-QWRGUYRKSA-N 0 1 397.310 3.024 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945316 1427728610 /nfs/dbraw/zinc/72/86/10/1427728610.db2.gz BCOZOWZBMZTQOJ-QWRGUYRKSA-N 0 1 397.310 3.024 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000175397488 1427731382 /nfs/dbraw/zinc/73/13/82/1427731382.db2.gz PQCURQICJLPADA-BZSNNMDCSA-N 0 1 391.556 3.299 20 0 GGADMN CSC(C)(C)CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000175398597 1427731984 /nfs/dbraw/zinc/73/19/84/1427731984.db2.gz JRCPICQJTOFGMT-HZPDHXFCSA-N 0 1 379.570 3.237 20 0 GGADMN C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529474 1427738890 /nfs/dbraw/zinc/73/88/90/1427738890.db2.gz GMSZHSWAZJLGRE-FOIQADDNSA-N 0 1 380.471 3.494 20 0 GGADMN C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529474 1427738894 /nfs/dbraw/zinc/73/88/94/1427738894.db2.gz GMSZHSWAZJLGRE-FOIQADDNSA-N 0 1 380.471 3.494 20 0 GGADMN C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000175425238 1427747500 /nfs/dbraw/zinc/74/75/00/1427747500.db2.gz BJNCVFLHDPJUQI-LBPRGKRZSA-N 0 1 394.880 3.471 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(CCCOc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000820723276 1427748685 /nfs/dbraw/zinc/74/86/85/1427748685.db2.gz YUZUJBQURVKSTF-LJQANCHMSA-N 0 1 398.555 3.080 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(CCCOc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000820723276 1427748687 /nfs/dbraw/zinc/74/86/87/1427748687.db2.gz YUZUJBQURVKSTF-LJQANCHMSA-N 0 1 398.555 3.080 20 0 GGADMN Cc1[nH]ccc1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000175443541 1427757176 /nfs/dbraw/zinc/75/71/76/1427757176.db2.gz XDWRJGCVSDAQNW-UHFFFAOYSA-N 0 1 394.441 3.284 20 0 GGADMN CCC[N@H+](Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CCCCO1 ZINC000825323319 1427767022 /nfs/dbraw/zinc/76/70/22/1427767022.db2.gz SQTIUNJIPIXVIL-IBGZPJMESA-N 0 1 395.511 3.048 20 0 GGADMN CCC[N@@H+](Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CCCCO1 ZINC000825323319 1427767027 /nfs/dbraw/zinc/76/70/27/1427767027.db2.gz SQTIUNJIPIXVIL-IBGZPJMESA-N 0 1 395.511 3.048 20 0 GGADMN CCC[N@H+](Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CCCCO1 ZINC000825323319 1427767029 /nfs/dbraw/zinc/76/70/29/1427767029.db2.gz SQTIUNJIPIXVIL-IBGZPJMESA-N 0 1 395.511 3.048 20 0 GGADMN COc1ccc(C(=O)N2CCN(CCC3CCCC3)CC2)c(OC)c1OC ZINC000175464427 1427769220 /nfs/dbraw/zinc/76/92/20/1427769220.db2.gz QUJIYRHPQZJGMW-UHFFFAOYSA-N 0 1 376.497 3.051 20 0 GGADMN COc1ccc(C(=O)N2CCN(C[C@H](C)c3ccccc3)CC2)c(OC)c1OC ZINC000175463970 1427769462 /nfs/dbraw/zinc/76/94/62/1427769462.db2.gz RHEWDFDXQFJOLE-KRWDZBQOSA-N 0 1 398.503 3.274 20 0 GGADMN CC[C@@H](CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)Oc1cccc(C)c1 ZINC000175468839 1427770996 /nfs/dbraw/zinc/77/09/96/1427770996.db2.gz HTNKQBZCMXWCFT-AWEZNQCLSA-N 0 1 383.473 3.108 20 0 GGADMN Cc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)c2cnn(C)c2n1 ZINC000175477340 1427776872 /nfs/dbraw/zinc/77/68/72/1427776872.db2.gz HGENGKXVUVOBOY-UHFFFAOYSA-N 0 1 381.505 3.078 20 0 GGADMN C[NH+](C)CCCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736767202 1427777155 /nfs/dbraw/zinc/77/71/55/1427777155.db2.gz NSQAMSUOFFSXRD-UHFFFAOYSA-N 0 1 386.887 3.463 20 0 GGADMN O=C(CN1CCN(C2CCOCC2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000175480608 1427778139 /nfs/dbraw/zinc/77/81/39/1427778139.db2.gz IHVZREPFMBFECO-UHFFFAOYSA-N 0 1 393.531 3.016 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)NC[C@H](C)c3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000175484370 1427780022 /nfs/dbraw/zinc/78/00/22/1427780022.db2.gz FMXNYJLLHUKOPA-HZMBPMFUSA-N 0 1 398.294 3.307 20 0 GGADMN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000175487345 1427783173 /nfs/dbraw/zinc/78/31/73/1427783173.db2.gz JSLQWRSBYOJSII-INIZCTEOSA-N 0 1 391.487 3.333 20 0 GGADMN Cc1cc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c2cnn(C)c2n1 ZINC000175492858 1427786532 /nfs/dbraw/zinc/78/65/32/1427786532.db2.gz KGYVCERHPBNBFH-UHFFFAOYSA-N 0 1 395.532 3.386 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCc3ccnc(OCC(F)(F)F)c3)[nH]c21 ZINC000175494513 1427787964 /nfs/dbraw/zinc/78/79/64/1427787964.db2.gz MOOABEHQWIAAPU-UHFFFAOYSA-N 0 1 392.381 3.456 20 0 GGADMN Clc1nsc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826354815 1427789346 /nfs/dbraw/zinc/78/93/46/1427789346.db2.gz WEMVXQGGXSYOQQ-UHFFFAOYSA-N 0 1 375.889 3.359 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000826518931 1427791583 /nfs/dbraw/zinc/79/15/83/1427791583.db2.gz CYBLGMJNBRKCFD-RBUKOAKNSA-N 0 1 375.476 3.392 20 0 GGADMN c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000826518931 1427791587 /nfs/dbraw/zinc/79/15/87/1427791587.db2.gz CYBLGMJNBRKCFD-RBUKOAKNSA-N 0 1 375.476 3.392 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000826518931 1427791592 /nfs/dbraw/zinc/79/15/92/1427791592.db2.gz CYBLGMJNBRKCFD-RBUKOAKNSA-N 0 1 375.476 3.392 20 0 GGADMN CC(C)C(=O)N1CCC(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)CC1 ZINC000175504640 1427793569 /nfs/dbraw/zinc/79/35/69/1427793569.db2.gz ZWBQBRUPLAWNIC-UHFFFAOYSA-N 0 1 391.600 3.240 20 0 GGADMN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000175506222 1427794633 /nfs/dbraw/zinc/79/46/33/1427794633.db2.gz MVESUAOGNNFKNO-UHFFFAOYSA-N 0 1 399.539 3.356 20 0 GGADMN CC[C@H](NC(=O)NCCCN1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000175506698 1427794964 /nfs/dbraw/zinc/79/49/64/1427794964.db2.gz RDQMDNLNNOQKCX-NRFANRHFSA-N 0 1 381.524 3.044 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N1CCC(C(F)(F)F)CC1 ZINC000175506863 1427795360 /nfs/dbraw/zinc/79/53/60/1427795360.db2.gz ATKYQDCNEYWASO-UHFFFAOYSA-N 0 1 398.473 3.183 20 0 GGADMN COc1ccc2oc([C@@H](C)NC(=O)N3CCO[C@@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000175514059 1427799670 /nfs/dbraw/zinc/79/96/70/1427799670.db2.gz KSNYRWAYYFVLBF-SJKOYZFVSA-N 0 1 399.451 3.020 20 0 GGADMN COc1ccc2oc([C@H](C)NC(=O)N3CCO[C@@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000175514078 1427799748 /nfs/dbraw/zinc/79/97/48/1427799748.db2.gz KSNYRWAYYFVLBF-YVEFUNNKSA-N 0 1 399.451 3.020 20 0 GGADMN CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000175526011 1427804062 /nfs/dbraw/zinc/80/40/62/1427804062.db2.gz RAPGSISRNMJUQK-FCHUYYIVSA-N 0 1 386.584 3.209 20 0 GGADMN Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)n(-c2nc(C)cc(C)n2)n1 ZINC000175529103 1427804881 /nfs/dbraw/zinc/80/48/81/1427804881.db2.gz HKCUJGGSUMXWMY-IBGZPJMESA-N 0 1 390.491 3.145 20 0 GGADMN Cc1cc(NC(=O)CN(C)[C@H]2CCc3ccccc32)n(-c2nc(C)cc(C)n2)n1 ZINC000175529103 1427804884 /nfs/dbraw/zinc/80/48/84/1427804884.db2.gz HKCUJGGSUMXWMY-IBGZPJMESA-N 0 1 390.491 3.145 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175531141 1427805526 /nfs/dbraw/zinc/80/55/26/1427805526.db2.gz FTWWZBHFBHXVJS-VWNXMTODSA-N 0 1 375.516 3.456 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175531163 1427805585 /nfs/dbraw/zinc/80/55/85/1427805585.db2.gz FTWWZBHFBHXVJS-LADGPHEKSA-N 0 1 375.516 3.456 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175531185 1427805687 /nfs/dbraw/zinc/80/56/87/1427805687.db2.gz FTWWZBHFBHXVJS-UPVQGACJSA-N 0 1 375.516 3.456 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCCOC3CCOCC3)[nH]c2c1 ZINC000175540117 1427808763 /nfs/dbraw/zinc/80/87/63/1427808763.db2.gz OVFDDYFESURPBK-LJQANCHMSA-N 0 1 386.496 3.304 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@H](c3ccccc3Cl)C(C)C)CCO2)n[nH]1 ZINC000175541809 1427808994 /nfs/dbraw/zinc/80/89/94/1427808994.db2.gz JFNWSLVJYFSSDS-HOTGVXAUSA-N 0 1 377.876 3.247 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000175541274 1427809011 /nfs/dbraw/zinc/80/90/11/1427809011.db2.gz UKXHWRBNYFCZIY-RTWAWAEBSA-N 0 1 397.519 3.498 20 0 GGADMN CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820913229 1427810190 /nfs/dbraw/zinc/81/01/90/1427810190.db2.gz DMTCQNGZNAFAMC-LBPRGKRZSA-N 0 1 376.258 3.333 20 0 GGADMN CC1CC[NH+](C2CCC(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000824956108 1427814823 /nfs/dbraw/zinc/81/48/23/1427814823.db2.gz QHNASDYXPUQBLK-WDZFZDKYSA-N 0 1 394.523 3.039 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175560224 1427815225 /nfs/dbraw/zinc/81/52/25/1427815225.db2.gz ASQGHLXPLTXWGB-UHFFFAOYSA-N 0 1 388.406 3.130 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419589 1427816550 /nfs/dbraw/zinc/81/65/50/1427816550.db2.gz IKYYXOHEQRLBAQ-PXAZEXFGSA-N 0 1 391.397 3.140 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000175566875 1427817593 /nfs/dbraw/zinc/81/75/93/1427817593.db2.gz WJKUTAKSBAFHIE-UHFFFAOYSA-N 0 1 378.476 3.260 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175570210 1427818064 /nfs/dbraw/zinc/81/80/64/1427818064.db2.gz BIMGGEQSYKRCTO-GJZGRUSLSA-N 0 1 385.430 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000175571675 1427818756 /nfs/dbraw/zinc/81/87/56/1427818756.db2.gz LDISTCWQEINKJZ-RTWAWAEBSA-N 0 1 385.483 3.120 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@H]2CCCO[C@H]2C(C)C)N(C)C)c1 ZINC000175571983 1427819218 /nfs/dbraw/zinc/81/92/18/1427819218.db2.gz ROCSSIPODFEBGL-HOJAQTOUSA-N 0 1 377.529 3.048 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)N(C)C)c1 ZINC000175571942 1427819246 /nfs/dbraw/zinc/81/92/46/1427819246.db2.gz ROCSSIPODFEBGL-IHPCNDPISA-N 0 1 377.529 3.048 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000175587458 1427823074 /nfs/dbraw/zinc/82/30/74/1427823074.db2.gz GGDPELHLQADJTC-OAHLLOKOSA-N 0 1 386.471 3.276 20 0 GGADMN CCCOc1c(Cl)cc(C=CC(=O)N(C)Cc2nnc[nH]2)cc1OCC ZINC000175621582 1427835529 /nfs/dbraw/zinc/83/55/29/1427835529.db2.gz RQDZLDPYXBSTIT-VOTSOKGWSA-N 0 1 378.860 3.317 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000175633640 1427838673 /nfs/dbraw/zinc/83/86/73/1427838673.db2.gz VJFLXIVASMCGTI-HOCLYGCPSA-N 0 1 399.520 3.385 20 0 GGADMN C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1nc(Cc2ccccc2)no1 ZINC000175633692 1427838839 /nfs/dbraw/zinc/83/88/39/1427838839.db2.gz VJFLXIVASMCGTI-GDBMZVCRSA-N 0 1 399.520 3.385 20 0 GGADMN O=C(Nc1cccc(COCc2ccco2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175633541 1427839068 /nfs/dbraw/zinc/83/90/68/1427839068.db2.gz DLBLSSHMVDMGOV-UHFFFAOYSA-N 0 1 399.491 3.325 20 0 GGADMN C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000175635028 1427839465 /nfs/dbraw/zinc/83/94/65/1427839465.db2.gz BTKVOXVWXMMDGF-HNNXBMFYSA-N 0 1 398.482 3.203 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547720 1427842100 /nfs/dbraw/zinc/84/21/00/1427842100.db2.gz BZMCHPZJICMZAG-MEDUHNTESA-N 0 1 398.442 3.237 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547720 1427842104 /nfs/dbraw/zinc/84/21/04/1427842104.db2.gz BZMCHPZJICMZAG-MEDUHNTESA-N 0 1 398.442 3.237 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@H]3c4cccc(F)c4CC[C@H]3C)CC2)CCO1 ZINC000175654118 1427845631 /nfs/dbraw/zinc/84/56/31/1427845631.db2.gz NPJOQKYOTZZBPV-WHSLLNHNSA-N 0 1 389.515 3.344 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@H]3c4cccc(F)c4CC[C@@H]3C)CC2)CCO1 ZINC000175654133 1427845644 /nfs/dbraw/zinc/84/56/44/1427845644.db2.gz NPJOQKYOTZZBPV-GCKMJXCFSA-N 0 1 389.515 3.344 20 0 GGADMN CCCCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(C)C ZINC000175653436 1427845741 /nfs/dbraw/zinc/84/57/41/1427845741.db2.gz XCWZWSDTVXKJMY-UXHICEINSA-N 0 1 388.556 3.329 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)N3CCN(C4CCOCC4)CC3)c2)oc1C ZINC000175654601 1427845872 /nfs/dbraw/zinc/84/58/72/1427845872.db2.gz IIZIYTLSBUPXCB-UHFFFAOYSA-N 0 1 384.480 3.287 20 0 GGADMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175655407 1427846346 /nfs/dbraw/zinc/84/63/46/1427846346.db2.gz CIHPMDNASGOHES-WMLDXEAASA-N 0 1 395.956 3.241 20 0 GGADMN CCc1ccc(C(C)(C)NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000175659974 1427848058 /nfs/dbraw/zinc/84/80/58/1427848058.db2.gz HJUFHTFPZUBTFZ-UHFFFAOYSA-N 0 1 395.551 3.130 20 0 GGADMN CSc1ccc(O[C@H](C)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000175674567 1427852572 /nfs/dbraw/zinc/85/25/72/1427852572.db2.gz SSHIBYBLFZNJPQ-MRXNPFEDSA-N 0 1 385.533 3.352 20 0 GGADMN COCCn1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000175676994 1427853399 /nfs/dbraw/zinc/85/33/99/1427853399.db2.gz USAAPWXNAXBLEV-UHFFFAOYSA-N 0 1 392.503 3.077 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)c2)CC1 ZINC000175681408 1427855097 /nfs/dbraw/zinc/85/50/97/1427855097.db2.gz QWFORDXNXUXEPF-UPVQGACJSA-N 0 1 375.516 3.277 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)c2)CC1 ZINC000175681394 1427855172 /nfs/dbraw/zinc/85/51/72/1427855172.db2.gz QWFORDXNXUXEPF-ISKFKSNPSA-N 0 1 375.516 3.277 20 0 GGADMN CCn1c(CCNC(=O)NCCN(C)Cc2ccc(F)cc2)nc2ccccc21 ZINC000175691504 1427860086 /nfs/dbraw/zinc/86/00/86/1427860086.db2.gz PHBTWHYIPKEDPJ-UHFFFAOYSA-N 0 1 397.498 3.169 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000175705994 1427865237 /nfs/dbraw/zinc/86/52/37/1427865237.db2.gz DNKQSWLXBDTROV-GHMZBOCLSA-N 0 1 375.391 3.249 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000175708805 1427865947 /nfs/dbraw/zinc/86/59/47/1427865947.db2.gz LOCKILGDKCJOFE-NWDGAFQWSA-N 0 1 395.381 3.362 20 0 GGADMN COc1ccc(C(=O)N(C)C)cc1NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175710217 1427866519 /nfs/dbraw/zinc/86/65/19/1427866519.db2.gz SWFBDFHNCREHRD-UHFFFAOYSA-N 0 1 380.448 3.153 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000175708822 1427866657 /nfs/dbraw/zinc/86/66/57/1427866657.db2.gz LOCKILGDKCJOFE-VXGBXAGGSA-N 0 1 395.381 3.362 20 0 GGADMN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175712606 1427867363 /nfs/dbraw/zinc/86/73/63/1427867363.db2.gz ZVTDZWPEMQVFPT-UHFFFAOYSA-N 0 1 382.464 3.202 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000175720327 1427869086 /nfs/dbraw/zinc/86/90/86/1427869086.db2.gz YUJBLPLZCSBCCQ-QWHCGFSZSA-N 0 1 386.887 3.093 20 0 GGADMN CCO[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(CC)CC ZINC000175728983 1427871486 /nfs/dbraw/zinc/87/14/86/1427871486.db2.gz HTDFKYBNEAEZKV-PMACEKPBSA-N 0 1 388.556 3.329 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(CC)CC ZINC000175729023 1427871545 /nfs/dbraw/zinc/87/15/45/1427871545.db2.gz HTDFKYBNEAEZKV-VQTJNVASSA-N 0 1 388.556 3.329 20 0 GGADMN CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000825212920 1427874156 /nfs/dbraw/zinc/87/41/56/1427874156.db2.gz URRNGAZAMQVYPU-GOSISDBHSA-N 0 1 379.464 3.057 20 0 GGADMN CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000825212920 1427874160 /nfs/dbraw/zinc/87/41/60/1427874160.db2.gz URRNGAZAMQVYPU-GOSISDBHSA-N 0 1 379.464 3.057 20 0 GGADMN NC(=O)NC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000175745406 1427877028 /nfs/dbraw/zinc/87/70/28/1427877028.db2.gz ADLNEHYAZRDSSO-UHFFFAOYSA-N 0 1 389.912 3.349 20 0 GGADMN CN(CCNC(=O)N[C@@H]1CCOc2ccc(F)cc21)Cc1ccc(F)cc1 ZINC000175750578 1427878499 /nfs/dbraw/zinc/87/84/99/1427878499.db2.gz IPFFICJIAGKLNQ-GOSISDBHSA-N 0 1 375.419 3.220 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)n2)c(OC)c1 ZINC000175762782 1427883504 /nfs/dbraw/zinc/88/35/04/1427883504.db2.gz AVWLPNLZCLEJQX-HTAPYJJXSA-N 0 1 390.443 3.332 20 0 GGADMN CC[C@@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)c1nc(C)cs1 ZINC000175764772 1427883878 /nfs/dbraw/zinc/88/38/78/1427883878.db2.gz SACXEAGRAAZGGU-QGZVFWFLSA-N 0 1 394.585 3.485 20 0 GGADMN CC[C@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)c1nc(C)cs1 ZINC000175764757 1427884046 /nfs/dbraw/zinc/88/40/46/1427884046.db2.gz SACXEAGRAAZGGU-KRWDZBQOSA-N 0 1 394.585 3.485 20 0 GGADMN CCOc1cc(CNC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1OC ZINC000175766030 1427884173 /nfs/dbraw/zinc/88/41/73/1427884173.db2.gz HZUNGCWBZNMXEY-UHFFFAOYSA-N 0 1 389.471 3.164 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000175768047 1427885182 /nfs/dbraw/zinc/88/51/82/1427885182.db2.gz XGEVKMLDHBCYME-MRXNPFEDSA-N 0 1 394.510 3.055 20 0 GGADMN COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000175770857 1427887104 /nfs/dbraw/zinc/88/71/04/1427887104.db2.gz FUIDZPDKFHRAAG-UHFFFAOYSA-N 0 1 384.404 3.272 20 0 GGADMN Cc1ccc2c(c1)N(C(=O)c1ccc(CN3CCN(C)CC3)cc1)C[C@@H](C)O2 ZINC000175770981 1427887128 /nfs/dbraw/zinc/88/71/28/1427887128.db2.gz JUWYBRZWIMWFNN-GOSISDBHSA-N 0 1 379.504 3.170 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)C3CC=CC3)cc2)n[nH]1 ZINC000175774009 1427888204 /nfs/dbraw/zinc/88/82/04/1427888204.db2.gz JLYPEUWMSHGZEK-UHFFFAOYSA-N 0 1 383.452 3.401 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)C3CC=CC3)cc2)n1 ZINC000175774009 1427888205 /nfs/dbraw/zinc/88/82/05/1427888205.db2.gz JLYPEUWMSHGZEK-UHFFFAOYSA-N 0 1 383.452 3.401 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000175774571 1427888226 /nfs/dbraw/zinc/88/82/26/1427888226.db2.gz OEPSFLSYYBRWNK-HHHXNRCGSA-N 0 1 386.521 3.128 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175785375 1427892074 /nfs/dbraw/zinc/89/20/74/1427892074.db2.gz ZAHHYKUYGZPBIR-LJQANCHMSA-N 0 1 390.487 3.172 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CN1C1CC1 ZINC000175793842 1427895389 /nfs/dbraw/zinc/89/53/89/1427895389.db2.gz NCTMSZGJWNSTAP-HOCLYGCPSA-N 0 1 387.549 3.401 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)N2CCCC2)o1 ZINC000175799134 1427897182 /nfs/dbraw/zinc/89/71/82/1427897182.db2.gz QYBUKFMTDUYATG-MRDQGFSESA-N 0 1 375.494 3.284 20 0 GGADMN CCc1nc(CN2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)cs1 ZINC000175799863 1427897385 /nfs/dbraw/zinc/89/73/85/1427897385.db2.gz MECYUPGMTIUWFR-UHFFFAOYSA-N 0 1 397.548 3.167 20 0 GGADMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824687286 1427898009 /nfs/dbraw/zinc/89/80/09/1427898009.db2.gz FGOBLFZFMWPLFM-UZLBHIALSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687286 1427898011 /nfs/dbraw/zinc/89/80/11/1427898011.db2.gz FGOBLFZFMWPLFM-UZLBHIALSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687286 1427898014 /nfs/dbraw/zinc/89/80/14/1427898014.db2.gz FGOBLFZFMWPLFM-UZLBHIALSA-N 0 1 393.491 3.039 20 0 GGADMN COCCCOc1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000175803746 1427898798 /nfs/dbraw/zinc/89/87/98/1427898798.db2.gz FWBIZQAXBNYVHD-UHFFFAOYSA-N 0 1 397.519 3.102 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175805363 1427899992 /nfs/dbraw/zinc/89/99/92/1427899992.db2.gz KEZOMORDZWFKJC-DENIHFKCSA-N 0 1 388.552 3.474 20 0 GGADMN CCc1ccc([C@H](COC)NC(=O)NCCN(C)Cc2ccc(F)cc2)o1 ZINC000175813100 1427905662 /nfs/dbraw/zinc/90/56/62/1427905662.db2.gz ITFFHPATHBZNCJ-SFHVURJKSA-N 0 1 377.460 3.100 20 0 GGADMN COc1ccc(NC(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)c(C)c1 ZINC000175813468 1427905740 /nfs/dbraw/zinc/90/57/40/1427905740.db2.gz WHIGTXISATVWQL-GOSISDBHSA-N 0 1 382.508 3.336 20 0 GGADMN COc1ccccc1CCNC(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175814370 1427906575 /nfs/dbraw/zinc/90/65/75/1427906575.db2.gz IGWLNYPWRCTSFH-ROUUACIJSA-N 0 1 388.533 3.004 20 0 GGADMN Fc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(-c2nn[n-]n2)c1 ZINC000826374983 1427908732 /nfs/dbraw/zinc/90/87/32/1427908732.db2.gz VGLIOKVVVGNKRV-LJQANCHMSA-N 0 1 381.411 3.018 20 0 GGADMN COc1ccc(C[NH2+]CCCOc2ccc(Cl)cc2C)cc1-c1nn[n-]n1 ZINC000821813882 1427912768 /nfs/dbraw/zinc/91/27/68/1427912768.db2.gz NUKONQLDXGJDNQ-UHFFFAOYSA-N 0 1 387.871 3.396 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)CCCCc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822558319 1427912961 /nfs/dbraw/zinc/91/29/61/1427912961.db2.gz OLNPTNNXFVRXIH-UHFFFAOYSA-N 0 1 398.536 3.438 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)CCCCc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822558319 1427912962 /nfs/dbraw/zinc/91/29/62/1427912962.db2.gz OLNPTNNXFVRXIH-UHFFFAOYSA-N 0 1 398.536 3.438 20 0 GGADMN NC(=O)c1cccc(OCCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000175825839 1427913302 /nfs/dbraw/zinc/91/33/02/1427913302.db2.gz UMFOMVANSPZZAQ-UHFFFAOYSA-N 0 1 390.399 3.329 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4[nH]nnc4c3)CCCC2)c1 ZINC000175824848 1427913572 /nfs/dbraw/zinc/91/35/72/1427913572.db2.gz FMWYLJGAEJUNNW-UHFFFAOYSA-N 0 1 398.488 3.300 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000175828071 1427914768 /nfs/dbraw/zinc/91/47/68/1427914768.db2.gz JFWRIMNIJYFKBU-UHFFFAOYSA-N 0 1 379.811 3.322 20 0 GGADMN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(C2CCOCC2)CC1 ZINC000175830955 1427916721 /nfs/dbraw/zinc/91/67/21/1427916721.db2.gz MUQPJQXLRSOEHY-UHFFFAOYSA-N 0 1 391.471 3.432 20 0 GGADMN O=C(Nc1nnc(-c2ccsc2)s1)c1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000175831412 1427916890 /nfs/dbraw/zinc/91/68/90/1427916890.db2.gz XMZSEEXKIOLHOO-UHFFFAOYSA-N 0 1 385.474 3.439 20 0 GGADMN Cc1cc(OCCCC(=O)N2CCN(C3CCOCC3)CC2)ccc1Cl ZINC000175838584 1427921512 /nfs/dbraw/zinc/92/15/12/1427921512.db2.gz KEINUKASPPAMOU-UHFFFAOYSA-N 0 1 380.916 3.131 20 0 GGADMN FC(F)(F)c1cccc(C[NH+]2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822727895 1427923317 /nfs/dbraw/zinc/92/33/17/1427923317.db2.gz AZWLVTXQRFAADI-UHFFFAOYSA-N 0 1 388.397 3.208 20 0 GGADMN CCCOc1c(Cl)cc(C(=O)N2CCN(C3CCOCC3)CC2)cc1OC ZINC000175841794 1427923775 /nfs/dbraw/zinc/92/37/75/1427923775.db2.gz RTLVWSWAGSQBBG-UHFFFAOYSA-N 0 1 396.915 3.074 20 0 GGADMN CC[N@H+](Cc1nc(=O)c2sccc2[nH]1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555363 1427924761 /nfs/dbraw/zinc/92/47/61/1427924761.db2.gz HTSPLBYHHYRNNI-NSHDSACASA-N 0 1 381.465 3.160 20 0 GGADMN CC[N@@H+](Cc1nc(=O)c2sccc2[nH]1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736555363 1427924766 /nfs/dbraw/zinc/92/47/66/1427924766.db2.gz HTSPLBYHHYRNNI-NSHDSACASA-N 0 1 381.465 3.160 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1OC ZINC000825140554 1427925755 /nfs/dbraw/zinc/92/57/55/1427925755.db2.gz KORYVXXRHPQULY-DOMZBBRYSA-N 0 1 398.467 3.153 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547678 1427926564 /nfs/dbraw/zinc/92/65/64/1427926564.db2.gz RNYSQXWLSHTQJJ-OCCSQVGLSA-N 0 1 390.463 3.056 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000175845420 1427927048 /nfs/dbraw/zinc/92/70/48/1427927048.db2.gz TVGBFQDDCFVCLB-RDJZCZTQSA-N 0 1 392.496 3.166 20 0 GGADMN O=C(CCCOc1cccc2ccccc21)N1CCN(C2CCOCC2)CC1 ZINC000175846495 1427928800 /nfs/dbraw/zinc/92/88/00/1427928800.db2.gz ZMXBEDBCLODVTM-UHFFFAOYSA-N 0 1 382.504 3.322 20 0 GGADMN COCc1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1 ZINC000175847658 1427929707 /nfs/dbraw/zinc/92/97/07/1427929707.db2.gz MVGKVNXAPFHSML-YLJYHZDGSA-N 0 1 388.533 3.164 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000175852373 1427932874 /nfs/dbraw/zinc/93/28/74/1427932874.db2.gz BXSGLMWXUKSZNS-UHFFFAOYSA-N 0 1 389.809 3.336 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccn2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825981372 1427932968 /nfs/dbraw/zinc/93/29/68/1427932968.db2.gz RAOZHRASNDPHMG-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN O=C(c1cccc(OCc2cccs2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175857157 1427935467 /nfs/dbraw/zinc/93/54/67/1427935467.db2.gz UXZGAVUCIPSCPG-UHFFFAOYSA-N 0 1 386.517 3.264 20 0 GGADMN CC(C)(C)c1ccc(OCCCC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000175860441 1427936953 /nfs/dbraw/zinc/93/69/53/1427936953.db2.gz QGVNGUFPHGBGAE-UHFFFAOYSA-N 0 1 388.552 3.466 20 0 GGADMN C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1c(F)cccc1Cl ZINC000175860993 1427937973 /nfs/dbraw/zinc/93/79/73/1427937973.db2.gz KJRDQXZCZFSOMK-MRVPVSSYSA-N 0 1 377.828 3.495 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1OCC ZINC000175860781 1427938146 /nfs/dbraw/zinc/93/81/46/1427938146.db2.gz PMWICWFYGJLSDV-UHFFFAOYSA-N 0 1 390.524 3.201 20 0 GGADMN C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1c(F)cccc1Cl ZINC000175860667 1427938181 /nfs/dbraw/zinc/93/81/81/1427938181.db2.gz CRXNBXZUHFQWQU-JTQLQIEISA-N 0 1 391.855 3.355 20 0 GGADMN COc1ccc(C2(C(=O)N3CCN(C4CCOCC4)CC3)CCCCC2)cc1 ZINC000175863093 1427939350 /nfs/dbraw/zinc/93/93/50/1427939350.db2.gz ZGESEOHYSCBDTL-UHFFFAOYSA-N 0 1 386.536 3.220 20 0 GGADMN O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCN(C2CCOCC2)CC1 ZINC000175863539 1427939889 /nfs/dbraw/zinc/93/98/89/1427939889.db2.gz FPRPUVIURTVWMI-CMDGGOBGSA-N 0 1 384.520 3.344 20 0 GGADMN CCc1nnc(C[NH2+][C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1C ZINC000825767508 1427940251 /nfs/dbraw/zinc/94/02/51/1427940251.db2.gz LHUYXFFYZQQKNB-CQSZACIVSA-N 0 1 388.479 3.075 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(CNC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824898905 1427944053 /nfs/dbraw/zinc/94/40/53/1427944053.db2.gz GVDBEBUFNSGBHR-FOIQADDNSA-N 0 1 392.507 3.337 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000824898905 1427944056 /nfs/dbraw/zinc/94/40/56/1427944056.db2.gz GVDBEBUFNSGBHR-FOIQADDNSA-N 0 1 392.507 3.337 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175874422 1427946390 /nfs/dbraw/zinc/94/63/90/1427946390.db2.gz XSMYJVUTOKHMFS-GOSISDBHSA-N 0 1 389.515 3.001 20 0 GGADMN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175874405 1427946553 /nfs/dbraw/zinc/94/65/53/1427946553.db2.gz XSMYJVUTOKHMFS-SFHVURJKSA-N 0 1 389.515 3.001 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1noc(Cc2ccccc2)n1 ZINC000175879434 1427948238 /nfs/dbraw/zinc/94/82/38/1427948238.db2.gz LPMJVKUDJWKDSG-JTQLQIEISA-N 0 1 397.378 3.117 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1noc(Cc2ccccc2)n1 ZINC000175879447 1427948546 /nfs/dbraw/zinc/94/85/46/1427948546.db2.gz LPMJVKUDJWKDSG-SNVBAGLBSA-N 0 1 397.378 3.117 20 0 GGADMN C[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1noc(Cc2ccccc2)n1 ZINC000175880754 1427949034 /nfs/dbraw/zinc/94/90/34/1427949034.db2.gz FYZQSIRESYZLHY-JTQLQIEISA-N 0 1 397.378 3.117 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)N2CCCC2)o1 ZINC000175895694 1427956360 /nfs/dbraw/zinc/95/63/60/1427956360.db2.gz CTAPYBZPWRAHOB-RKOGDMNLSA-N 0 1 393.484 3.423 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001139854730 1427957172 /nfs/dbraw/zinc/95/71/72/1427957172.db2.gz QOVAZUYSQMWHKW-QAQDUYKDSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001139854730 1427957176 /nfs/dbraw/zinc/95/71/76/1427957176.db2.gz QOVAZUYSQMWHKW-QAQDUYKDSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001139854730 1427957180 /nfs/dbraw/zinc/95/71/80/1427957180.db2.gz QOVAZUYSQMWHKW-QAQDUYKDSA-N 0 1 386.500 3.134 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000175898292 1427958287 /nfs/dbraw/zinc/95/82/87/1427958287.db2.gz UVSBEXNVWFZGFB-QGZVFWFLSA-N 0 1 379.932 3.372 20 0 GGADMN COc1cccc([C@H](CNc2cc(-c3nnn[n-]3)c3ccccc3n2)[NH+](C)C)c1 ZINC000737124502 1427960123 /nfs/dbraw/zinc/96/01/23/1427960123.db2.gz CCFHOKBQJCZGMY-IBGZPJMESA-N 0 1 389.463 3.138 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1cccs1 ZINC000175909762 1427965993 /nfs/dbraw/zinc/96/59/93/1427965993.db2.gz NNVHCYXLUXGRSO-MOPGFXCFSA-N 0 1 387.549 3.432 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1(CC)CC ZINC000175912301 1427967561 /nfs/dbraw/zinc/96/75/61/1427967561.db2.gz ADLPMFOHQTUIOI-UXHICEINSA-N 0 1 388.556 3.329 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccco1 ZINC000175914405 1427968566 /nfs/dbraw/zinc/96/85/66/1427968566.db2.gz YDJYLEBQUXPVPH-QWXGXRTQSA-N 0 1 381.473 3.361 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)c1ccco1 ZINC000175914385 1427968986 /nfs/dbraw/zinc/96/89/86/1427968986.db2.gz YDJYLEBQUXPVPH-WZQKQDCOSA-N 0 1 381.473 3.361 20 0 GGADMN COc1ccc(CNC(=O)NCCCc2cn[nH]c2C)c(OC2CCCC2)c1 ZINC000175917002 1427970365 /nfs/dbraw/zinc/97/03/65/1427970365.db2.gz ORYALPUBUWWIIB-UHFFFAOYSA-N 0 1 386.496 3.480 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)[nH]n1 ZINC000175921191 1427973858 /nfs/dbraw/zinc/97/38/58/1427973858.db2.gz WYWYBCVOSILQBM-UHFFFAOYSA-N 0 1 389.419 3.262 20 0 GGADMN C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)C1(N2CCOCC2)CCCC1 ZINC000175926832 1427977704 /nfs/dbraw/zinc/97/77/04/1427977704.db2.gz JXCAECDAPJAWLS-KRWDZBQOSA-N 0 1 384.524 3.035 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1 ZINC000175927664 1427978362 /nfs/dbraw/zinc/97/83/62/1427978362.db2.gz NUBDHMKNBNEJJF-XHCCPWGMSA-N 0 1 391.512 3.007 20 0 GGADMN CCCO[C@@H]1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000175930203 1427979408 /nfs/dbraw/zinc/97/94/08/1427979408.db2.gz WFPYVIRSINRQJQ-HXUWFJFHSA-N 0 1 395.588 3.260 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCN(c4ncccc4Cl)CC3)[nH]c21 ZINC000175934355 1427982374 /nfs/dbraw/zinc/98/23/74/1427982374.db2.gz CYJOFVWSSDQWCV-UHFFFAOYSA-N 0 1 383.883 3.201 20 0 GGADMN CC(C)CCOC1CCN(C(=O)NCCN(C)Cc2ccc(F)cc2)CC1 ZINC000175952069 1427993083 /nfs/dbraw/zinc/99/30/83/1427993083.db2.gz IBJMCHKDVWOYCD-UHFFFAOYSA-N 0 1 379.520 3.494 20 0 GGADMN Cc1ncc(-c2ccc(NC(=O)C(=O)N3CCN(CCC(C)(C)C)CC3)cc2)o1 ZINC000175953569 1427994694 /nfs/dbraw/zinc/99/46/94/1427994694.db2.gz SZNRCUCLZZFWHO-UHFFFAOYSA-N 0 1 398.507 3.169 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)CCc2nc3cccc(C)c3[nH]2)C1 ZINC000175957365 1427997478 /nfs/dbraw/zinc/99/74/78/1427997478.db2.gz MJUIMYUVZQQFAJ-SJORKVTESA-N 0 1 384.524 3.347 20 0 GGADMN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000175973927 1428006760 /nfs/dbraw/zinc/00/67/60/1428006760.db2.gz XPJWKHHKIFXRRE-HNNXBMFYSA-N 0 1 377.872 3.383 20 0 GGADMN COCCn1nc(C)c(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000175974236 1428006970 /nfs/dbraw/zinc/00/69/70/1428006970.db2.gz SFODPOGGRMMMRZ-UHFFFAOYSA-N 0 1 381.498 3.043 20 0 GGADMN COCc1cc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)no1 ZINC000175976337 1428008242 /nfs/dbraw/zinc/00/82/42/1428008242.db2.gz JYIMYSOWQLCNRC-UHFFFAOYSA-N 0 1 383.492 3.482 20 0 GGADMN c1ccc(COC[C@H]2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826521785 1428008634 /nfs/dbraw/zinc/00/86/34/1428008634.db2.gz YTSSYGNJKHIEJK-KRWDZBQOSA-N 0 1 390.491 3.184 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000822217791 1428010343 /nfs/dbraw/zinc/01/03/43/1428010343.db2.gz NNWQRXHUJNXEKB-IRXDYDNUSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000822217791 1428010348 /nfs/dbraw/zinc/01/03/48/1428010348.db2.gz NNWQRXHUJNXEKB-IRXDYDNUSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000822217791 1428010357 /nfs/dbraw/zinc/01/03/57/1428010357.db2.gz NNWQRXHUJNXEKB-IRXDYDNUSA-N 0 1 397.527 3.293 20 0 GGADMN CC[C@@H](O)CCC[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820933786 1428010479 /nfs/dbraw/zinc/01/04/79/1428010479.db2.gz ZRGJRWNISSCLLE-LJQANCHMSA-N 0 1 381.480 3.086 20 0 GGADMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000175987708 1428014528 /nfs/dbraw/zinc/01/45/28/1428014528.db2.gz FEZWGVOCZVUHID-QGZVFWFLSA-N 0 1 388.899 3.283 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000175990330 1428016073 /nfs/dbraw/zinc/01/60/73/1428016073.db2.gz ILSLUWSJIAPRBD-UHFFFAOYSA-N 0 1 383.345 3.257 20 0 GGADMN O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000738389486 1428019842 /nfs/dbraw/zinc/01/98/42/1428019842.db2.gz YJIMJQOLYVTAAS-IBGZPJMESA-N 0 1 383.883 3.466 20 0 GGADMN CSC1(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000176001824 1428022022 /nfs/dbraw/zinc/02/20/22/1428022022.db2.gz JMDBYMUZNNLSQR-UHFFFAOYSA-N 0 1 391.581 3.205 20 0 GGADMN Cc1cccc2nc(CCC(=O)NCC(=O)Nc3cccc4cccnc43)[nH]c21 ZINC000176008045 1428024924 /nfs/dbraw/zinc/02/49/24/1428024924.db2.gz OAYMFYBQFBBXRS-UHFFFAOYSA-N 0 1 387.443 3.107 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C[C@H]1CC=CCC1 ZINC000825914960 1428027125 /nfs/dbraw/zinc/02/71/25/1428027125.db2.gz QEGLHZWWMUSDDV-ZDUSSCGKSA-N 0 1 386.525 3.034 20 0 GGADMN C[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C[C@H]1CC=CCC1 ZINC000825914960 1428027131 /nfs/dbraw/zinc/02/71/31/1428027131.db2.gz QEGLHZWWMUSDDV-ZDUSSCGKSA-N 0 1 386.525 3.034 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C[C@H]1CC=CCC1 ZINC000825914960 1428027136 /nfs/dbraw/zinc/02/71/36/1428027136.db2.gz QEGLHZWWMUSDDV-ZDUSSCGKSA-N 0 1 386.525 3.034 20 0 GGADMN c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826520794 1428027573 /nfs/dbraw/zinc/02/75/73/1428027573.db2.gz REMHSVZCOFIBLE-YADHBBJMSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520794 1428027578 /nfs/dbraw/zinc/02/75/78/1428027578.db2.gz REMHSVZCOFIBLE-YADHBBJMSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520794 1428027581 /nfs/dbraw/zinc/02/75/81/1428027581.db2.gz REMHSVZCOFIBLE-YADHBBJMSA-N 0 1 388.519 3.178 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1ccco1 ZINC000176013288 1428027585 /nfs/dbraw/zinc/02/75/85/1428027585.db2.gz XDAPYZJFHKSYQH-UXHICEINSA-N 0 1 385.508 3.354 20 0 GGADMN O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1sccc1-c1nnn[n-]1 ZINC000823350561 1428027940 /nfs/dbraw/zinc/02/79/40/1428027940.db2.gz RHFCVUAPAVQLIX-UHFFFAOYSA-N 0 1 398.492 3.045 20 0 GGADMN Cc1c(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822091340 1428030417 /nfs/dbraw/zinc/03/04/17/1428030417.db2.gz PXVRVJHKBKGBFA-LJQANCHMSA-N 0 1 391.479 3.134 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)C(F)(F)C(F)F)cc1 ZINC000176021250 1428031122 /nfs/dbraw/zinc/03/11/22/1428031122.db2.gz VHPLWMFTQSWNGH-UHFFFAOYSA-N 0 1 375.366 3.340 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)nc2)CC1 ZINC000176025095 1428033110 /nfs/dbraw/zinc/03/31/10/1428033110.db2.gz OLMXVUMCLDEMET-UHFFFAOYSA-N 0 1 382.361 3.244 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000176039467 1428040834 /nfs/dbraw/zinc/04/08/34/1428040834.db2.gz XZJFJNICNGPWGT-UHFFFAOYSA-N 0 1 394.519 3.334 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000176043214 1428045130 /nfs/dbraw/zinc/04/51/30/1428045130.db2.gz AABWZXDFBQBEPE-UHFFFAOYSA-N 0 1 384.524 3.185 20 0 GGADMN COc1ccc([C@@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C(C)C)cc1 ZINC000176043324 1428045248 /nfs/dbraw/zinc/04/52/48/1428045248.db2.gz ISFUDHSXZVYHAM-FQEVSTJZSA-N 0 1 398.507 3.375 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000176042947 1428045400 /nfs/dbraw/zinc/04/54/00/1428045400.db2.gz VPFAURPAFZPDEM-UHFFFAOYSA-N 0 1 384.455 3.183 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000176044825 1428047006 /nfs/dbraw/zinc/04/70/06/1428047006.db2.gz DAUZZTDKKPYKAC-SFHVURJKSA-N 0 1 390.434 3.091 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000176044841 1428047078 /nfs/dbraw/zinc/04/70/78/1428047078.db2.gz DAUZZTDKKPYKAC-GOSISDBHSA-N 0 1 390.434 3.091 20 0 GGADMN CC[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1cc(F)ccc1F ZINC000176045775 1428047300 /nfs/dbraw/zinc/04/73/00/1428047300.db2.gz IGLAGLPNDKNQGA-QGZVFWFLSA-N 0 1 390.434 3.398 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000176046501 1428047314 /nfs/dbraw/zinc/04/73/14/1428047314.db2.gz HSYXPRRTTVJHPP-UHFFFAOYSA-N 0 1 393.491 3.083 20 0 GGADMN CC(C)c1ccccc1OCCNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176046162 1428047711 /nfs/dbraw/zinc/04/77/11/1428047711.db2.gz LFOWDOWHQRCHON-UHFFFAOYSA-N 0 1 398.507 3.171 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1F ZINC000176048471 1428049160 /nfs/dbraw/zinc/04/91/60/1428049160.db2.gz GSPOMQFMTLECAL-GOSISDBHSA-N 0 1 390.434 3.091 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000176049218 1428049721 /nfs/dbraw/zinc/04/97/21/1428049721.db2.gz QFYCNNYBBLWDCL-UHFFFAOYSA-N 0 1 386.883 3.311 20 0 GGADMN O=c1cc(C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c2cc3c(cc2o1)CCC3 ZINC000826502198 1428049933 /nfs/dbraw/zinc/04/99/33/1428049933.db2.gz YMZNPADTBYQBLB-UHFFFAOYSA-N 0 1 399.454 3.241 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000176052581 1428051915 /nfs/dbraw/zinc/05/19/15/1428051915.db2.gz RGCQWMZYEUUSEP-LJQANCHMSA-N 0 1 384.455 3.355 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176052412 1428052018 /nfs/dbraw/zinc/05/20/18/1428052018.db2.gz PDDDTPFSDPGLRG-MRXNPFEDSA-N 0 1 398.507 3.053 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000176052595 1428052043 /nfs/dbraw/zinc/05/20/43/1428052043.db2.gz RGCQWMZYEUUSEP-IBGZPJMESA-N 0 1 384.455 3.355 20 0 GGADMN Cc1cccc(C(C)(C)CNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000176055286 1428054317 /nfs/dbraw/zinc/05/43/17/1428054317.db2.gz GLFUXZOMEZRJBU-UHFFFAOYSA-N 0 1 382.508 3.255 20 0 GGADMN C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)C(C)(C)c1ccccc1 ZINC000176055199 1428054491 /nfs/dbraw/zinc/05/44/91/1428054491.db2.gz WPRPDBQZDDZBPA-HNNXBMFYSA-N 0 1 382.508 3.335 20 0 GGADMN C[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)Sc1ccccc1 ZINC000176056538 1428055681 /nfs/dbraw/zinc/05/56/81/1428055681.db2.gz DJYSGIYOHWRNDR-AWEZNQCLSA-N 0 1 386.521 3.149 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1CCCC[C@@H]1CO ZINC000176058127 1428057450 /nfs/dbraw/zinc/05/74/50/1428057450.db2.gz KVEALORWSNOEJB-QUCCMNQESA-N 0 1 393.959 3.402 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176063643 1428061675 /nfs/dbraw/zinc/06/16/75/1428061675.db2.gz XHWUYPGMKGONCU-UHFFFAOYSA-N 0 1 390.871 3.462 20 0 GGADMN Cn1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360864 1428063152 /nfs/dbraw/zinc/06/31/52/1428063152.db2.gz BAOLQOJSRHNJIJ-ROUUACIJSA-N 0 1 395.536 3.127 20 0 GGADMN Cn1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360864 1428063160 /nfs/dbraw/zinc/06/31/60/1428063160.db2.gz BAOLQOJSRHNJIJ-ROUUACIJSA-N 0 1 395.536 3.127 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000736537968 1428071051 /nfs/dbraw/zinc/07/10/51/1428071051.db2.gz ZRQNBIYJGCTCGV-HNNXBMFYSA-N 0 1 397.479 3.346 20 0 GGADMN CCOC[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000176078650 1428071244 /nfs/dbraw/zinc/07/12/44/1428071244.db2.gz KSGJHAVDIQSGBH-FUHWJXTLSA-N 0 1 399.457 3.348 20 0 GGADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C1 ZINC000176084494 1428073490 /nfs/dbraw/zinc/07/34/90/1428073490.db2.gz PVFWCHGOZKNLEV-ZDUSSCGKSA-N 0 1 396.413 3.011 20 0 GGADMN O=C(C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)[nH]n1)c1cccs1 ZINC000176085950 1428074031 /nfs/dbraw/zinc/07/40/31/1428074031.db2.gz YXQJKNMNRCGACE-OAHLLOKOSA-N 0 1 381.457 3.252 20 0 GGADMN CCCN(CC1CCCCC1)C(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000176093311 1428078533 /nfs/dbraw/zinc/07/85/33/1428078533.db2.gz BFLWAIBCDRCLAZ-UHFFFAOYSA-N 0 1 399.421 3.145 20 0 GGADMN O=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176097446 1428081300 /nfs/dbraw/zinc/08/13/00/1428081300.db2.gz RPSKQAIXPTXKLK-KRWDZBQOSA-N 0 1 391.943 3.125 20 0 GGADMN C[C@@H](COc1ccc(F)cc1F)NC(=O)CSc1n[nH]c(=S)s1 ZINC000176106328 1428085651 /nfs/dbraw/zinc/08/56/51/1428085651.db2.gz OQCQEKYAZLIVRP-ZETCQYMHSA-N 0 1 377.463 3.155 20 0 GGADMN CO[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000821676567 1428087363 /nfs/dbraw/zinc/08/73/63/1428087363.db2.gz AUTQJIOXRKUIQX-FQEVSTJZSA-N 0 1 381.480 3.206 20 0 GGADMN Cc1cc(-c2noc(CCC(=O)NCc3nc4ccc(F)cc4[nH]3)n2)ccc1F ZINC000176110390 1428089325 /nfs/dbraw/zinc/08/93/25/1428089325.db2.gz MSSGXJOZUJUBPP-UHFFFAOYSA-N 0 1 397.385 3.449 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000176118682 1428093335 /nfs/dbraw/zinc/09/33/35/1428093335.db2.gz BPNDFDTZVXXEJA-UHFFFAOYSA-N 0 1 375.407 3.306 20 0 GGADMN O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176121257 1428095842 /nfs/dbraw/zinc/09/58/42/1428095842.db2.gz WNQCMYJCAWLYRD-FDFHNCONSA-N 0 1 385.552 3.152 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176123686 1428097626 /nfs/dbraw/zinc/09/76/26/1428097626.db2.gz DXMSJZDZBFEZFS-ZDUSSCGKSA-N 0 1 376.432 3.108 20 0 GGADMN CCCC[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000176125407 1428098397 /nfs/dbraw/zinc/09/83/97/1428098397.db2.gz OPAFUKBCXMXPDZ-RXVVDRJESA-N 0 1 389.540 3.290 20 0 GGADMN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1nc2ccc(F)cc2[nH]1 ZINC000176124085 1428098415 /nfs/dbraw/zinc/09/84/15/1428098415.db2.gz IAEGNRSJRGBIGC-UHFFFAOYSA-N 0 1 395.221 3.055 20 0 GGADMN CCCC[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000176125452 1428099268 /nfs/dbraw/zinc/09/92/68/1428099268.db2.gz OPAFUKBCXMXPDZ-WIYYLYMNSA-N 0 1 389.540 3.290 20 0 GGADMN COc1ccccc1-c1nn(C)cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176126547 1428099501 /nfs/dbraw/zinc/09/95/01/1428099501.db2.gz LGXKWMKFRHHYKP-UHFFFAOYSA-N 0 1 379.395 3.041 20 0 GGADMN CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176126625 1428099984 /nfs/dbraw/zinc/09/99/84/1428099984.db2.gz AZNDWYOUNAQQRO-UHFFFAOYSA-N 0 1 382.439 3.294 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000176127361 1428100604 /nfs/dbraw/zinc/10/06/04/1428100604.db2.gz LKCXALPYKBFQEJ-IBGZPJMESA-N 0 1 397.544 3.470 20 0 GGADMN CN(C(=O)C(=O)Nc1cc(F)ccc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176127171 1428100761 /nfs/dbraw/zinc/10/07/61/1428100761.db2.gz PWWPGLWFPVBPIV-QGZVFWFLSA-N 0 1 387.430 3.026 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176127892 1428100828 /nfs/dbraw/zinc/10/08/28/1428100828.db2.gz YEWQVEHFKYKWRF-HXUWFJFHSA-N 0 1 390.487 3.229 20 0 GGADMN CN(C(=O)C(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176127701 1428100887 /nfs/dbraw/zinc/10/08/87/1428100887.db2.gz FANPXUVQPJRBGO-IBGZPJMESA-N 0 1 387.430 3.026 20 0 GGADMN COc1cc(C)ccc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176127443 1428101188 /nfs/dbraw/zinc/10/11/88/1428101188.db2.gz PGDNWRGCGRAFTE-IBGZPJMESA-N 0 1 395.503 3.065 20 0 GGADMN CN(C(=O)C(=O)Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176129553 1428103112 /nfs/dbraw/zinc/10/31/12/1428103112.db2.gz HTESNFGKFBUUPL-IBGZPJMESA-N 0 1 385.895 3.402 20 0 GGADMN CN(C(=O)C(=O)Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176129540 1428103205 /nfs/dbraw/zinc/10/32/05/1428103205.db2.gz HTESNFGKFBUUPL-LJQANCHMSA-N 0 1 385.895 3.402 20 0 GGADMN CSc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176129635 1428103697 /nfs/dbraw/zinc/10/36/97/1428103697.db2.gz PWQZEAAFIJVJFN-SFHVURJKSA-N 0 1 397.544 3.470 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000176132400 1428106274 /nfs/dbraw/zinc/10/62/74/1428106274.db2.gz JVYWXNWHPCSSJJ-UHFFFAOYSA-N 0 1 394.362 3.058 20 0 GGADMN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000176134573 1428108424 /nfs/dbraw/zinc/10/84/24/1428108424.db2.gz LDHWWTOJYRBHJQ-OAHLLOKOSA-N 0 1 395.463 3.356 20 0 GGADMN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000176134548 1428108605 /nfs/dbraw/zinc/10/86/05/1428108605.db2.gz LDHWWTOJYRBHJQ-HNNXBMFYSA-N 0 1 395.463 3.356 20 0 GGADMN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176135573 1428108864 /nfs/dbraw/zinc/10/88/64/1428108864.db2.gz QMTCMNLTULNJQB-JXFKEZNVSA-N 0 1 375.488 3.031 20 0 GGADMN COCCOc1cc(C)ccc1CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000176138444 1428112530 /nfs/dbraw/zinc/11/25/30/1428112530.db2.gz KPDJUILIAGVYIC-KRWDZBQOSA-N 0 1 391.537 3.184 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(N2CCCCCC2)nc1 ZINC000176141931 1428114540 /nfs/dbraw/zinc/11/45/40/1428114540.db2.gz FTVHDJMUSQHXNC-UHFFFAOYSA-N 0 1 381.455 3.450 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000176146378 1428117066 /nfs/dbraw/zinc/11/70/66/1428117066.db2.gz NSVCRYXATSLPDZ-UHFFFAOYSA-N 0 1 389.434 3.349 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)NC1CCN(c2cccs2)CC1 ZINC000176148143 1428119002 /nfs/dbraw/zinc/11/90/02/1428119002.db2.gz GRAMMDGKLQJGTM-KRWDZBQOSA-N 0 1 388.537 3.446 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000826184330 1428119880 /nfs/dbraw/zinc/11/98/80/1428119880.db2.gz SUOLVUDLPLRYCH-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN COc1cccc(Cl)c1C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737132390 1428121717 /nfs/dbraw/zinc/12/17/17/1428121717.db2.gz LPWITEYXIPWIDV-UHFFFAOYSA-N 0 1 398.898 3.287 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)n1 ZINC000176156085 1428124374 /nfs/dbraw/zinc/12/43/74/1428124374.db2.gz GABXNKQDYGLYAL-UHFFFAOYSA-N 0 1 387.399 3.292 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccnc(OCC(F)(F)F)c1 ZINC000176155385 1428124830 /nfs/dbraw/zinc/12/48/30/1428124830.db2.gz VPUISSFPSQLDOV-UHFFFAOYSA-N 0 1 382.317 3.011 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000176162116 1428128377 /nfs/dbraw/zinc/12/83/77/1428128377.db2.gz WSQPQTBKRSVUPN-LSDHHAIUSA-N 0 1 383.895 3.294 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000176162142 1428129656 /nfs/dbraw/zinc/12/96/56/1428129656.db2.gz WSQPQTBKRSVUPN-GJZGRUSLSA-N 0 1 383.895 3.294 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000176164337 1428130130 /nfs/dbraw/zinc/13/01/30/1428130130.db2.gz ZHPWXFARLJIVDS-CYBMUJFWSA-N 0 1 388.443 3.203 20 0 GGADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000176166136 1428132136 /nfs/dbraw/zinc/13/21/36/1428132136.db2.gz GYBQVLRZBNCNHW-RMKNXTFCSA-N 0 1 395.528 3.295 20 0 GGADMN COc1cccc(C[N@H+](Cc2cc(-c3nnn[n-]3)cs2)C[C@@H]2CCCO2)c1 ZINC000826216286 1428132735 /nfs/dbraw/zinc/13/27/35/1428132735.db2.gz RMZRWLOSBQRHMP-KRWDZBQOSA-N 0 1 385.493 3.118 20 0 GGADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737146648 1428136877 /nfs/dbraw/zinc/13/68/77/1428136877.db2.gz IOTMPYFRDYNAEN-IBGZPJMESA-N 0 1 379.464 3.481 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000821651858 1428138981 /nfs/dbraw/zinc/13/89/81/1428138981.db2.gz HMQDCALRKACZIF-VPWXQRGCSA-N 0 1 391.475 3.034 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)C[C@@H]1OCCc2ccccc21 ZINC000822332402 1428147690 /nfs/dbraw/zinc/14/76/90/1428147690.db2.gz PNNAZZUOCWTSRU-IBGZPJMESA-N 0 1 386.459 3.474 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nnn[n-]1)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000822774507 1428152274 /nfs/dbraw/zinc/15/22/74/1428152274.db2.gz KRHIJHKNTLCDSO-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000822774507 1428152278 /nfs/dbraw/zinc/15/22/78/1428152278.db2.gz KRHIJHKNTLCDSO-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000822774507 1428152281 /nfs/dbraw/zinc/15/22/81/1428152281.db2.gz KRHIJHKNTLCDSO-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000176189825 1428152897 /nfs/dbraw/zinc/15/28/97/1428152897.db2.gz RGNXETKDDZLQSZ-UHFFFAOYSA-N 0 1 392.459 3.149 20 0 GGADMN CC(C)c1nc(C(=O)N[C@@H](C)c2nnc[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000176193417 1428156921 /nfs/dbraw/zinc/15/69/21/1428156921.db2.gz UJCQNCFLIUVYIH-VIFPVBQESA-N 0 1 394.266 3.307 20 0 GGADMN CC(C)c1nc(C(=O)N[C@H](C)c2nnc[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000176193434 1428157153 /nfs/dbraw/zinc/15/71/53/1428157153.db2.gz UJCQNCFLIUVYIH-SECBINFHSA-N 0 1 394.266 3.307 20 0 GGADMN CCCCc1nc2ccc(NC(=O)CCOc3ccc(C(N)=O)cc3)cc2[nH]1 ZINC000176196761 1428159421 /nfs/dbraw/zinc/15/94/21/1428159421.db2.gz SSWJXAIIULFMFB-UHFFFAOYSA-N 0 1 380.448 3.412 20 0 GGADMN C[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nnc[nH]1 ZINC000176199160 1428161604 /nfs/dbraw/zinc/16/16/04/1428161604.db2.gz YYOVEULMUWOJNS-AWEZNQCLSA-N 0 1 390.422 3.216 20 0 GGADMN C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)c1nnc[nH]1 ZINC000176206976 1428167693 /nfs/dbraw/zinc/16/76/93/1428167693.db2.gz BIXRMZVPWYYWSK-VIFPVBQESA-N 0 1 391.262 3.277 20 0 GGADMN CC(C)(CNC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000176210680 1428169606 /nfs/dbraw/zinc/16/96/06/1428169606.db2.gz XZNZUWLHFZOKKY-HNNXBMFYSA-N 0 1 397.922 3.120 20 0 GGADMN Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000176210474 1428169763 /nfs/dbraw/zinc/16/97/63/1428169763.db2.gz VMVCVUFXALJBGN-VXGBXAGGSA-N 0 1 399.421 3.047 20 0 GGADMN CC(C)(CNC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000176210695 1428169918 /nfs/dbraw/zinc/16/99/18/1428169918.db2.gz XZNZUWLHFZOKKY-OAHLLOKOSA-N 0 1 397.922 3.120 20 0 GGADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3SCCC(N)=O)[nH]c21 ZINC000176214724 1428172281 /nfs/dbraw/zinc/17/22/81/1428172281.db2.gz OPKJKFUMFPRRPG-UHFFFAOYSA-N 0 1 382.489 3.410 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000820709756 1428173333 /nfs/dbraw/zinc/17/33/33/1428173333.db2.gz LPLOMSWLLJFWKS-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)s2)C1 ZINC000820709756 1428173337 /nfs/dbraw/zinc/17/33/37/1428173337.db2.gz LPLOMSWLLJFWKS-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc(-c3nnn[n-]3)s2)C1 ZINC000820709756 1428173342 /nfs/dbraw/zinc/17/33/42/1428173342.db2.gz LPLOMSWLLJFWKS-HNNXBMFYSA-N 0 1 382.537 3.450 20 0 GGADMN CCCc1c(C(=O)N[C@@H](C)c2nnc[nH]2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC000176224797 1428177572 /nfs/dbraw/zinc/17/75/72/1428177572.db2.gz WUKHJRABCNYESX-ZDUSSCGKSA-N 0 1 381.484 3.126 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)c2cc(C)oc2C)N2CCCC2)o1 ZINC000176231668 1428181606 /nfs/dbraw/zinc/18/16/06/1428181606.db2.gz SNTRWJSBXKBSTI-RXVVDRJESA-N 0 1 389.496 3.142 20 0 GGADMN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000176234710 1428182825 /nfs/dbraw/zinc/18/28/25/1428182825.db2.gz CLSXZFFJMWXQNC-UHFFFAOYSA-N 0 1 396.535 3.112 20 0 GGADMN CCc1nc(COc2ccc(C(=O)N3CCN(C)CC34CCCCC4)cc2)no1 ZINC000176243693 1428189869 /nfs/dbraw/zinc/18/98/69/1428189869.db2.gz TYCWXYSCVYLITC-UHFFFAOYSA-N 0 1 398.507 3.302 20 0 GGADMN CC[C@@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000176245661 1428192461 /nfs/dbraw/zinc/19/24/61/1428192461.db2.gz VEDZZLHOJQJJEF-CQSZACIVSA-N 0 1 385.430 3.212 20 0 GGADMN C[NH+]1CCC([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3C(F)(F)F)C2)CC1 ZINC000826023008 1429785610 /nfs/dbraw/zinc/78/56/10/1429785610.db2.gz VKCNJNIDROOCRE-AWEZNQCLSA-N 0 1 380.418 3.054 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000820413962 1429787260 /nfs/dbraw/zinc/78/72/60/1429787260.db2.gz WJRVLNMCBDZQAN-GJZGRUSLSA-N 0 1 376.464 3.405 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3ccnc(SC(C)(C)C)c3)cn2)CC1 ZINC000180182737 1429788906 /nfs/dbraw/zinc/78/89/06/1429788906.db2.gz ZRLLSZHDMBIJES-UHFFFAOYSA-N 0 1 399.564 3.049 20 0 GGADMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ncccc1Cl ZINC000180197497 1429798147 /nfs/dbraw/zinc/79/81/47/1429798147.db2.gz KIWVCQVLJMJWMU-UHFFFAOYSA-N 0 1 392.618 3.207 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000737033756 1429794337 /nfs/dbraw/zinc/79/43/37/1429794337.db2.gz SNUYSLFLFNOYOU-INIZCTEOSA-N 0 1 381.480 3.126 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000737033756 1429794342 /nfs/dbraw/zinc/79/43/42/1429794342.db2.gz SNUYSLFLFNOYOU-INIZCTEOSA-N 0 1 381.480 3.126 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000737033756 1429794347 /nfs/dbraw/zinc/79/43/47/1429794347.db2.gz SNUYSLFLFNOYOU-INIZCTEOSA-N 0 1 381.480 3.126 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000737245395 1429802334 /nfs/dbraw/zinc/80/23/34/1429802334.db2.gz OANANMDLFMXEDN-CQSZACIVSA-N 0 1 399.449 3.040 20 0 GGADMN CCCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821060659 1429806462 /nfs/dbraw/zinc/80/64/62/1429806462.db2.gz HFLVMGDIWXYUQQ-UHFFFAOYSA-N 0 1 398.555 3.347 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000180224116 1429806929 /nfs/dbraw/zinc/80/69/29/1429806929.db2.gz MRQAFPSYHOQVIK-WMZHIEFXSA-N 0 1 393.531 3.222 20 0 GGADMN COC[C@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000180233529 1429809942 /nfs/dbraw/zinc/80/99/42/1429809942.db2.gz STHSXAFPIDPRMF-SGTLLEGYSA-N 0 1 384.448 3.375 20 0 GGADMN COc1cc(F)cc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000180243541 1429813494 /nfs/dbraw/zinc/81/34/94/1429813494.db2.gz VMGCQNTVUPSGLP-UHFFFAOYSA-N 0 1 386.452 3.336 20 0 GGADMN Cn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000180251792 1429815039 /nfs/dbraw/zinc/81/50/39/1429815039.db2.gz DXUHICCXOAHCFJ-MRXNPFEDSA-N 0 1 376.464 3.102 20 0 GGADMN CCC1(CC)[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)[C@H](C)[C@@H]1OC ZINC000180280568 1429823410 /nfs/dbraw/zinc/82/34/10/1429823410.db2.gz WKQQANSCVYNRHH-DBVUQKKJSA-N 0 1 388.556 3.185 20 0 GGADMN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180285182 1429824550 /nfs/dbraw/zinc/82/45/50/1429824550.db2.gz FPNGHVBMTREXCS-UHFFFAOYSA-N 0 1 396.963 3.162 20 0 GGADMN C[C@@H](OC1CCCCCC1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180284691 1429824683 /nfs/dbraw/zinc/82/46/83/1429824683.db2.gz LCXHHOBRPHQVGH-LJQANCHMSA-N 0 1 380.573 3.465 20 0 GGADMN C#CCN1CCC(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)CC1 ZINC000180287027 1429825212 /nfs/dbraw/zinc/82/52/12/1429825212.db2.gz KUVCJITZQIKUNS-UHFFFAOYSA-N 0 1 384.461 3.026 20 0 GGADMN O=C(c1sccc1OC(F)F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180290371 1429826428 /nfs/dbraw/zinc/82/64/28/1429826428.db2.gz IJKAUASZRKZJFH-UHFFFAOYSA-N 0 1 388.480 3.314 20 0 GGADMN O=C(CCc1cc(F)ccc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180290008 1429826464 /nfs/dbraw/zinc/82/64/64/1429826464.db2.gz PNSRXVQMJYNFAF-UHFFFAOYSA-N 0 1 380.479 3.248 20 0 GGADMN O=C(Cc1ccc(F)cc1Cl)N1CCC(CCCN2CCOCC2)CC1 ZINC000180292810 1429827311 /nfs/dbraw/zinc/82/73/11/1429827311.db2.gz KBMNQGPVZOIUFH-UHFFFAOYSA-N 0 1 382.907 3.373 20 0 GGADMN Cc1noc(-c2ccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)cc2)n1 ZINC000180294633 1429827678 /nfs/dbraw/zinc/82/76/78/1429827678.db2.gz QKRAUNNVHOOONC-UHFFFAOYSA-N 0 1 398.507 3.010 20 0 GGADMN O=C(COc1ccc(F)c(Cl)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180295436 1429827975 /nfs/dbraw/zinc/82/79/75/1429827975.db2.gz MTBGERJDAQCFPQ-UHFFFAOYSA-N 0 1 398.906 3.209 20 0 GGADMN Cc1ccc(SCC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180296498 1429828376 /nfs/dbraw/zinc/82/83/76/1429828376.db2.gz XKAVSKDRISUXSQ-UHFFFAOYSA-N 0 1 376.566 3.438 20 0 GGADMN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC(CCCN2CCOCC2)CC1 ZINC000180297800 1429828884 /nfs/dbraw/zinc/82/88/84/1429828884.db2.gz ZRNXABXXENFPDA-LADGPHEKSA-N 0 1 382.548 3.242 20 0 GGADMN O=C(c1ncccc1C(F)(F)F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180300190 1429829496 /nfs/dbraw/zinc/82/94/96/1429829496.db2.gz HPAOOHRRYQVOLY-UHFFFAOYSA-N 0 1 385.430 3.065 20 0 GGADMN C[C@@H](C(=O)N1CCC(CCCN2CCOCC2)CC1)c1c(F)cccc1F ZINC000180300115 1429829534 /nfs/dbraw/zinc/82/95/34/1429829534.db2.gz UKFHUSVNXXLYNH-MRXNPFEDSA-N 0 1 380.479 3.419 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)[C@@H]1C ZINC000820722915 1429829514 /nfs/dbraw/zinc/82/95/14/1429829514.db2.gz RJKIXVFGQUUWAM-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)[C@@H]1C ZINC000820722915 1429829520 /nfs/dbraw/zinc/82/95/20/1429829520.db2.gz RJKIXVFGQUUWAM-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)[C@@H]1C ZINC000820722915 1429829527 /nfs/dbraw/zinc/82/95/27/1429829527.db2.gz RJKIXVFGQUUWAM-CHWSQXEVSA-N 0 1 388.541 3.256 20 0 GGADMN O=C(c1ccccc1OC(F)F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180299792 1429829574 /nfs/dbraw/zinc/82/95/74/1429829574.db2.gz PDSZBBHGQBMSGD-UHFFFAOYSA-N 0 1 382.451 3.253 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1 ZINC000180300786 1429829765 /nfs/dbraw/zinc/82/97/65/1429829765.db2.gz CVOVQIIFIDCNRZ-FCHUYYIVSA-N 0 1 397.494 3.250 20 0 GGADMN O=C([C@H]1SCCc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180301273 1429829853 /nfs/dbraw/zinc/82/98/53/1429829853.db2.gz WGDUBTWQCGEMFK-NRFANRHFSA-N 0 1 388.577 3.368 20 0 GGADMN CC(C)(C)c1ncsc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180301391 1429829925 /nfs/dbraw/zinc/82/99/25/1429829925.db2.gz RLBOFASJQOUZCM-UHFFFAOYSA-N 0 1 379.570 3.405 20 0 GGADMN Cc1cc(C)c(CC(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c(C)c1 ZINC000180304250 1429831045 /nfs/dbraw/zinc/83/10/45/1429831045.db2.gz FMBLFSSHUXLPIS-UHFFFAOYSA-N 0 1 395.547 3.419 20 0 GGADMN CC(C)COc1ncccc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180305850 1429831328 /nfs/dbraw/zinc/83/13/28/1429831328.db2.gz UWOMQEXVDSPJBH-UHFFFAOYSA-N 0 1 389.540 3.081 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180307236 1429831722 /nfs/dbraw/zinc/83/17/22/1429831722.db2.gz FIILCTOHQYOUPX-KRWDZBQOSA-N 0 1 394.943 3.458 20 0 GGADMN O=C(C[C@@H]1OCCc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180308678 1429832436 /nfs/dbraw/zinc/83/24/36/1429832436.db2.gz OWBXFJRMTRTFOY-QFIPXVFZSA-N 0 1 386.536 3.042 20 0 GGADMN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCC(CCCN2CCOCC2)CC1 ZINC000180310815 1429832934 /nfs/dbraw/zinc/83/29/34/1429832934.db2.gz FZUHDYALZGDAIE-UHFFFAOYSA-N 0 1 394.899 3.033 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312039 1429833296 /nfs/dbraw/zinc/83/32/96/1429833296.db2.gz SBYUNZDLRDCJBP-ZWKOTPCHSA-N 0 1 392.490 3.419 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180312559 1429833421 /nfs/dbraw/zinc/83/34/21/1429833421.db2.gz ULSGPRSCXHNIBV-WOJBJXKFSA-N 0 1 392.490 3.419 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC ZINC000180313342 1429833971 /nfs/dbraw/zinc/83/39/71/1429833971.db2.gz FSQXIQMRPVUNNY-SJLPKXTDSA-N 0 1 386.492 3.429 20 0 GGADMN Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822323253 1429834022 /nfs/dbraw/zinc/83/40/22/1429834022.db2.gz BJYLRVNGGJNYLC-CYBMUJFWSA-N 0 1 382.443 3.130 20 0 GGADMN Cc1ccc(CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1O ZINC000180314836 1429834133 /nfs/dbraw/zinc/83/41/33/1429834133.db2.gz YLECFPBKTGKOGN-QZTJIDSGSA-N 0 1 382.504 3.169 20 0 GGADMN CCC[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)CCO1 ZINC000180323888 1429836367 /nfs/dbraw/zinc/83/63/67/1429836367.db2.gz UKEMEGBMLVAQDZ-IEBWSBKVSA-N 0 1 389.540 3.371 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCC[C@H]1CCO ZINC000180333764 1429838342 /nfs/dbraw/zinc/83/83/42/1429838342.db2.gz GSMVPNVPPVJHRI-IBGZPJMESA-N 0 1 379.932 3.251 20 0 GGADMN CCCCOc1ccc([C@H](C)NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000180336852 1429839100 /nfs/dbraw/zinc/83/91/00/1429839100.db2.gz UCTMBGMWMKQLON-BBWFWOEESA-N 0 1 378.513 3.161 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NC2CCOCC2)ccc1OCCC(C)C ZINC000180357813 1429845220 /nfs/dbraw/zinc/84/52/20/1429845220.db2.gz SCPIHOHDFNWTLJ-MRXNPFEDSA-N 0 1 378.513 3.066 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N2CCO[C@@H](C)C2)ccc1OCCC(C)C ZINC000180358911 1429845685 /nfs/dbraw/zinc/84/56/85/1429845685.db2.gz QIHBKKFBBFFGQV-IRXDYDNUSA-N 0 1 378.513 3.018 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2F)N2CCCC2)c1 ZINC000180377111 1429850368 /nfs/dbraw/zinc/85/03/68/1429850368.db2.gz JBFAVXRZLVOIDO-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)OCC(=O)Nc3ccccc3C)[nH]2)c1 ZINC000180380232 1429851789 /nfs/dbraw/zinc/85/17/89/1429851789.db2.gz PTCWQLVPGOPHRK-UHFFFAOYSA-N 0 1 379.416 3.498 20 0 GGADMN CC[C@@H](C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1)c1ccc(OC)cc1 ZINC000180391227 1429854653 /nfs/dbraw/zinc/85/46/53/1429854653.db2.gz WDZKKNFNQMAAOH-GOSISDBHSA-N 0 1 380.448 3.299 20 0 GGADMN CC[C@@H](C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1)c1ccc(OC)cc1 ZINC000180391227 1429854657 /nfs/dbraw/zinc/85/46/57/1429854657.db2.gz WDZKKNFNQMAAOH-GOSISDBHSA-N 0 1 380.448 3.299 20 0 GGADMN COc1cc([C@H](C)NCc2cn(C)nc2-c2ccccc2)ccc1S(C)(=O)=O ZINC000180414904 1429862617 /nfs/dbraw/zinc/86/26/17/1429862617.db2.gz PZBXHNJPLOUJIR-HNNXBMFYSA-N 0 1 399.516 3.350 20 0 GGADMN CC(C)Cc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000820107785 1429864923 /nfs/dbraw/zinc/86/49/23/1429864923.db2.gz BWFZNTNTAZTBDT-UHFFFAOYSA-N 0 1 391.523 3.219 20 0 GGADMN COc1ccc(C(=O)NCCN[C@@H](C)c2cc(Cl)c(OC)cc2OC)cc1 ZINC000180424616 1429865769 /nfs/dbraw/zinc/86/57/69/1429865769.db2.gz NHIWPVWEQAEAKG-ZDUSSCGKSA-N 0 1 392.883 3.446 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCCC[C@@H]1CCO)N1CCCCC1 ZINC000180427573 1429867204 /nfs/dbraw/zinc/86/72/04/1429867204.db2.gz GUTMFQCKMDKYAD-QUCCMNQESA-N 0 1 389.540 3.169 20 0 GGADMN CCOC(=O)c1sc2nc(CN(C)CCc3ccccc3)nc(N)c2c1C ZINC000180438224 1429869454 /nfs/dbraw/zinc/86/94/54/1429869454.db2.gz CBZZXFNKMXUZSR-UHFFFAOYSA-N 0 1 384.505 3.433 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1OC ZINC000180441521 1429870096 /nfs/dbraw/zinc/87/00/96/1429870096.db2.gz GUYBKNBPVLNFCS-QZTJIDSGSA-N 0 1 396.531 3.445 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1OC ZINC000180441501 1429870273 /nfs/dbraw/zinc/87/02/73/1429870273.db2.gz GUYBKNBPVLNFCS-ZWKOTPCHSA-N 0 1 396.531 3.445 20 0 GGADMN CC(=O)Nc1cccc(OCCN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000180448882 1429871753 /nfs/dbraw/zinc/87/17/53/1429871753.db2.gz QGOYQWKHLLJUGG-AWEZNQCLSA-N 0 1 397.454 3.403 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC1CCCCC1 ZINC000180449506 1429872221 /nfs/dbraw/zinc/87/22/21/1429872221.db2.gz IYIPXSOLTCRABE-CBQGHPETSA-N 0 1 397.563 3.451 20 0 GGADMN COC(=O)c1cccc(C2CC[NH+](Cc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001139853503 1429874730 /nfs/dbraw/zinc/87/47/30/1429874730.db2.gz PTPMRDXCDQVXDE-UHFFFAOYSA-N 0 1 377.448 3.033 20 0 GGADMN C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)[N-]OCc1ccccc1 ZINC000180462332 1429875101 /nfs/dbraw/zinc/87/51/01/1429875101.db2.gz WDBSLXKJBKWGHK-UHFFFAOYSA-N 0 1 379.460 3.454 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000180465366 1429875620 /nfs/dbraw/zinc/87/56/20/1429875620.db2.gz PAPYIMWWFSSQRV-KRWDZBQOSA-N 0 1 376.522 3.244 20 0 GGADMN COc1ccccc1-c1ccc([C@H](C)NCCS(=O)(=O)NC(C)C)cc1 ZINC000180469951 1429876717 /nfs/dbraw/zinc/87/67/17/1429876717.db2.gz WCAIGQNTLKFLBH-INIZCTEOSA-N 0 1 376.522 3.341 20 0 GGADMN Cc1cccc(C)c1CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000180488771 1429881386 /nfs/dbraw/zinc/88/13/86/1429881386.db2.gz HSAFDEQYXIMZNJ-UHFFFAOYSA-N 0 1 381.520 3.111 20 0 GGADMN CN1CCN(c2ccc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc2)CC1 ZINC000180499526 1429883496 /nfs/dbraw/zinc/88/34/96/1429883496.db2.gz MZCDOTYZPINQMJ-UHFFFAOYSA-N 0 1 389.544 3.081 20 0 GGADMN Cc1cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)nn1-c1ccc(C)cc1 ZINC000180501389 1429883772 /nfs/dbraw/zinc/88/37/72/1429883772.db2.gz QWYVOIVRQSLIOT-UHFFFAOYSA-N 0 1 377.423 3.477 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N1CCc2ccccc2C1 ZINC000180525313 1429889603 /nfs/dbraw/zinc/88/96/03/1429889603.db2.gz GIGNHRRWFRVJLY-QZTJIDSGSA-N 0 1 391.515 3.437 20 0 GGADMN CCO[C@@H](C)c1noc(CN2CCN(C[C@@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000180524788 1429889613 /nfs/dbraw/zinc/88/96/13/1429889613.db2.gz JDJQCGWUXURHCQ-SJORKVTESA-N 0 1 388.512 3.097 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000180525278 1429889765 /nfs/dbraw/zinc/88/97/65/1429889765.db2.gz GIGNHRRWFRVJLY-MSOLQXFVSA-N 0 1 391.515 3.437 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N1CCc2ccccc21 ZINC000180526339 1429890246 /nfs/dbraw/zinc/89/02/46/1429890246.db2.gz ZEDFBQQGTMXBRP-DLBZAZTESA-N 0 1 377.488 3.442 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)N1CCc2ccccc21 ZINC000180526528 1429890336 /nfs/dbraw/zinc/89/03/36/1429890336.db2.gz STBCBSVWKBQULJ-HZPDHXFCSA-N 0 1 379.460 3.272 20 0 GGADMN Cc1nc2ccccc2nc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180529280 1429891113 /nfs/dbraw/zinc/89/11/13/1429891113.db2.gz QCTKGYCBHPAHPH-CQSZACIVSA-N 0 1 384.505 3.039 20 0 GGADMN C[C@H](NCC(=O)N1CCc2sccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000180530078 1429891125 /nfs/dbraw/zinc/89/11/25/1429891125.db2.gz CECIXFROWQDRIB-HNNXBMFYSA-N 0 1 383.517 3.110 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)c1C1CC1 ZINC000180535591 1429892551 /nfs/dbraw/zinc/89/25/51/1429892551.db2.gz ZEEIUNNYXCJDFM-LBPRGKRZSA-N 0 1 391.493 3.483 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(F)c(F)c1 ZINC000180536284 1429892712 /nfs/dbraw/zinc/89/27/12/1429892712.db2.gz HBHDQUXLXYDFJS-RBUKOAKNSA-N 0 1 395.425 3.394 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1ccccc1 ZINC000180544741 1429894493 /nfs/dbraw/zinc/89/44/93/1429894493.db2.gz RARHWEXSZKAIKZ-LJQANCHMSA-N 0 1 390.505 3.207 20 0 GGADMN CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)c1nn[nH]n1 ZINC000180553597 1429896466 /nfs/dbraw/zinc/89/64/66/1429896466.db2.gz YIBQRZNTTQGHAR-ZDUSSCGKSA-N 0 1 394.266 3.272 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN(CC(C)(C)c2ccccc2)CC1 ZINC000180573184 1429903220 /nfs/dbraw/zinc/90/32/20/1429903220.db2.gz IDMMYSBMZXEJPL-UHFFFAOYSA-N 0 1 381.520 3.229 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCCN(CC(F)F)CC1 ZINC000180575222 1429904291 /nfs/dbraw/zinc/90/42/91/1429904291.db2.gz BUYAUWDOHLIZRW-SFHVURJKSA-N 0 1 384.511 3.305 20 0 GGADMN c1cc2cnccc2c(C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826516108 1429905299 /nfs/dbraw/zinc/90/52/99/1429905299.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1cc2cnccc2c(C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826516108 1429905301 /nfs/dbraw/zinc/90/53/01/1429905301.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1cc2cnccc2c(C[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826516108 1429905302 /nfs/dbraw/zinc/90/53/02/1429905302.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1cc2cnccc2c(CN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826516108 1429905306 /nfs/dbraw/zinc/90/53/06/1429905306.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1cc2cnccc2c(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826516108 1429905308 /nfs/dbraw/zinc/90/53/08/1429905308.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1cc2cnccc2c(CN2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826516108 1429905309 /nfs/dbraw/zinc/90/53/09/1429905309.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN c1cc2cnccc2c(CN2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826516108 1429905312 /nfs/dbraw/zinc/90/53/12/1429905312.db2.gz XGRAXLWVMGKQDA-UHFFFAOYSA-N 0 1 399.502 3.123 20 0 GGADMN Cc1sc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(-c2nn[n-]n2)c1C ZINC000737563720 1429912020 /nfs/dbraw/zinc/91/20/20/1429912020.db2.gz SLQMLEPJDWNPNG-UHFFFAOYSA-N 0 1 396.520 3.396 20 0 GGADMN Cc1cccc2c(NCc3cccc(Cn4cccn4)c3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737410919 1429914472 /nfs/dbraw/zinc/91/44/72/1429914472.db2.gz VVMMPWQGGXZEJC-UHFFFAOYSA-N 0 1 396.458 3.002 20 0 GGADMN O=C(NCCCCCCO)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180589594 1429916453 /nfs/dbraw/zinc/91/64/53/1429916453.db2.gz FLBXRHKEISWUJT-KRWDZBQOSA-N 0 1 387.446 3.132 20 0 GGADMN Fc1ccc2c(c1)[C@@H](N1CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000822782797 1429916386 /nfs/dbraw/zinc/91/63/86/1429916386.db2.gz HFNPWLQIOXWZHC-NRFANRHFSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@@H](N1CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC1)CC2 ZINC000822782797 1429916388 /nfs/dbraw/zinc/91/63/88/1429916388.db2.gz HFNPWLQIOXWZHC-NRFANRHFSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@@H](N1CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC1)CC2 ZINC000822782797 1429916391 /nfs/dbraw/zinc/91/63/91/1429916391.db2.gz HFNPWLQIOXWZHC-NRFANRHFSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@@H+]1CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000822782797 1429916394 /nfs/dbraw/zinc/91/63/94/1429916394.db2.gz HFNPWLQIOXWZHC-NRFANRHFSA-N 0 1 392.482 3.201 20 0 GGADMN Fc1ccc2c(c1)[C@@H]([N@H+]1CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC1)CC2 ZINC000822782797 1429916397 /nfs/dbraw/zinc/91/63/97/1429916397.db2.gz HFNPWLQIOXWZHC-NRFANRHFSA-N 0 1 392.482 3.201 20 0 GGADMN CS[C@H](CO)[C@H](C)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180591920 1429918422 /nfs/dbraw/zinc/91/84/22/1429918422.db2.gz YNAICNHLTVAADW-BEVDRBHNSA-N 0 1 393.574 3.190 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC(C)(C)c4ccccc43)C2)CC1 ZINC000180598690 1429923293 /nfs/dbraw/zinc/92/32/93/1429923293.db2.gz ODWMXVCVHJIHKN-UXHICEINSA-N 0 1 398.595 3.263 20 0 GGADMN CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000180602402 1429926340 /nfs/dbraw/zinc/92/63/40/1429926340.db2.gz GLOYLZSJGQXSGX-NHCUHLMSSA-N 0 1 388.556 3.329 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)cn1 ZINC000180602330 1429926847 /nfs/dbraw/zinc/92/68/47/1429926847.db2.gz BWTLJKVAXHHBEP-UHFFFAOYSA-N 0 1 397.523 3.118 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736199766 1429931211 /nfs/dbraw/zinc/93/12/11/1429931211.db2.gz YTXVPUQXMWICRE-WMLDXEAASA-N 0 1 386.500 3.259 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736199766 1429931216 /nfs/dbraw/zinc/93/12/16/1429931216.db2.gz YTXVPUQXMWICRE-WMLDXEAASA-N 0 1 386.500 3.259 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000736199766 1429931220 /nfs/dbraw/zinc/93/12/20/1429931220.db2.gz YTXVPUQXMWICRE-WMLDXEAASA-N 0 1 386.500 3.259 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000180614532 1429933782 /nfs/dbraw/zinc/93/37/82/1429933782.db2.gz GJXUDCVOAGXBHL-GPNNCHTKSA-N 0 1 380.851 3.271 20 0 GGADMN CC[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000180613766 1429934167 /nfs/dbraw/zinc/93/41/67/1429934167.db2.gz KLNOATFLOVJORW-QZTJIDSGSA-N 0 1 382.460 3.139 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180626082 1429939998 /nfs/dbraw/zinc/93/99/98/1429939998.db2.gz ZMJGSWDYMNJGNU-ICSRJNTNSA-N 0 1 383.540 3.476 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180629917 1429942155 /nfs/dbraw/zinc/94/21/55/1429942155.db2.gz UGIMRXXNHYQQHK-LJQANCHMSA-N 0 1 393.553 3.207 20 0 GGADMN CC[C@H](NCC(=O)Nc1nnc(CC(C)C)s1)c1ccc2c(c1)OCCO2 ZINC000180634106 1429945159 /nfs/dbraw/zinc/94/51/59/1429945159.db2.gz AAPCDLNGMMRZCS-AWEZNQCLSA-N 0 1 390.509 3.187 20 0 GGADMN CCOCc1ccc(CNC(=O)CN[C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000180636553 1429947059 /nfs/dbraw/zinc/94/70/59/1429947059.db2.gz ZPNGIYKZWMCYBI-FQEVSTJZSA-N 0 1 398.503 3.351 20 0 GGADMN CC[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccc2c(c1)OCCO2 ZINC000180640107 1429948242 /nfs/dbraw/zinc/94/82/42/1429948242.db2.gz IPHGKRORKCEVAK-KRWDZBQOSA-N 0 1 376.403 3.093 20 0 GGADMN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000180639361 1429948333 /nfs/dbraw/zinc/94/83/33/1429948333.db2.gz KXRGZYGMMKLLTD-RBUKOAKNSA-N 0 1 379.932 3.144 20 0 GGADMN C[N@H+](CCC[N-]C(=O)C(F)(F)F)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000180641575 1429949309 /nfs/dbraw/zinc/94/93/09/1429949309.db2.gz XCNMHJWHESHUIX-UHFFFAOYSA-N 0 1 386.393 3.149 20 0 GGADMN C[N@@H+](CCC[N-]C(=O)C(F)(F)F)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000180641575 1429949311 /nfs/dbraw/zinc/94/93/11/1429949311.db2.gz XCNMHJWHESHUIX-UHFFFAOYSA-N 0 1 386.393 3.149 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3ccnn3C(C)(C)C)[nH]c2c1 ZINC000180643473 1429951139 /nfs/dbraw/zinc/95/11/39/1429951139.db2.gz LTACPIMGSWBOBP-INIZCTEOSA-N 0 1 394.479 3.125 20 0 GGADMN COC(CN(CCCO)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)OC ZINC000180642890 1429951240 /nfs/dbraw/zinc/95/12/40/1429951240.db2.gz ALBTYXNOAQNGRY-UHFFFAOYSA-N 0 1 377.481 3.028 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000180645460 1429952645 /nfs/dbraw/zinc/95/26/45/1429952645.db2.gz YGEAYYXVDXJJMW-KRWDZBQOSA-N 0 1 378.904 3.036 20 0 GGADMN Cc1cc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)ccc1Br ZINC000180649155 1429954474 /nfs/dbraw/zinc/95/44/74/1429954474.db2.gz ZUTNOQRBSTWVIO-RDJZCZTQSA-N 0 1 378.314 3.437 20 0 GGADMN Cc1cc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)ccc1Br ZINC000180649175 1429954632 /nfs/dbraw/zinc/95/46/32/1429954632.db2.gz ZUTNOQRBSTWVIO-WBVHZDCISA-N 0 1 378.314 3.437 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000821701918 1429954964 /nfs/dbraw/zinc/95/49/64/1429954964.db2.gz AIZDFIXTSDMJCO-RDTXWAMCSA-N 0 1 397.454 3.476 20 0 GGADMN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000180651856 1429956897 /nfs/dbraw/zinc/95/68/97/1429956897.db2.gz CGRSCUCRHLOIJW-UHFFFAOYSA-N 0 1 396.357 3.468 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824599991 1429958104 /nfs/dbraw/zinc/95/81/04/1429958104.db2.gz VKMXIDJOZRQNDH-GFCCVEGCSA-N 0 1 388.269 3.359 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820705171 1429962200 /nfs/dbraw/zinc/96/22/00/1429962200.db2.gz RVZAXPQNOMIUBN-MRXNPFEDSA-N 0 1 390.491 3.422 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820705171 1429962202 /nfs/dbraw/zinc/96/22/02/1429962202.db2.gz RVZAXPQNOMIUBN-MRXNPFEDSA-N 0 1 390.491 3.422 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820705171 1429962204 /nfs/dbraw/zinc/96/22/04/1429962204.db2.gz RVZAXPQNOMIUBN-MRXNPFEDSA-N 0 1 390.491 3.422 20 0 GGADMN CC(C)OCCOCc1cccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c1 ZINC000180663544 1429962604 /nfs/dbraw/zinc/96/26/04/1429962604.db2.gz AXMNOGMNHAXWJM-FQEVSTJZSA-N 0 1 377.529 3.432 20 0 GGADMN COc1ccc(COCc2cccc(NC(=O)N[C@@H](C)c3nnc[nH]3)c2)cc1 ZINC000180662104 1429962696 /nfs/dbraw/zinc/96/26/96/1429962696.db2.gz RUIBOZSEHASFPJ-AWEZNQCLSA-N 0 1 381.436 3.413 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000180664960 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ZINC000180910510 1430106366 /nfs/dbraw/zinc/10/63/66/1430106366.db2.gz LMTWILHVVGGFNN-OXJNMPFZSA-N 0 1 383.492 3.103 20 0 GGADMN O=C(N[C@H]1CCCc2occc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180916485 1430112745 /nfs/dbraw/zinc/11/27/45/1430112745.db2.gz VQOYQJHHNPJESW-IBGZPJMESA-N 0 1 375.513 3.191 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(F)cc3N(C)C)C2=O)cc1 ZINC000180917573 1430113808 /nfs/dbraw/zinc/11/38/08/1430113808.db2.gz ZGZOBEURNNFZNR-MGPUTAFESA-N 0 1 385.483 3.352 20 0 GGADMN COCc1cc([C@@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)ccc1OC ZINC000180920536 1430115174 /nfs/dbraw/zinc/11/51/74/1430115174.db2.gz AYOQKTVBQDLGTF-IIBYNOLFSA-N 0 1 398.503 3.302 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(OC)c(OC)cc3C)C2=O)cc1 ZINC000180923564 1430116906 /nfs/dbraw/zinc/11/69/06/1430116906.db2.gz CICTZHZRRSXSSO-OXQOHEQNSA-N 0 1 398.503 3.473 20 0 GGADMN CCc1nc2c(s1)[C@@H](N[C@H]1CCN(Cc3ccc(OC)cc3)C1=O)CCC2 ZINC000180924037 1430117224 /nfs/dbraw/zinc/11/72/24/1430117224.db2.gz NVGZMZYKIISYDI-WMZOPIPTSA-N 0 1 385.533 3.482 20 0 GGADMN COc1ccc(CCC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826192293 1430118087 /nfs/dbraw/zinc/11/80/87/1430118087.db2.gz HWDOEXSBJHJNPT-CYBMUJFWSA-N 0 1 385.443 3.306 20 0 GGADMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000180924702 1430118298 /nfs/dbraw/zinc/11/82/98/1430118298.db2.gz CSXBTYLRLSWJCR-INIZCTEOSA-N 0 1 386.455 3.385 20 0 GGADMN COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000821708767 1430118839 /nfs/dbraw/zinc/11/88/39/1430118839.db2.gz ZEBTYOKQMBSCRL-QWHCGFSZSA-N 0 1 383.452 3.304 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)n[nH]1 ZINC000180929821 1430120596 /nfs/dbraw/zinc/12/05/96/1430120596.db2.gz QULPEGJACQAOIG-UHFFFAOYSA-N 0 1 397.435 3.331 20 0 GGADMN CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n[nH]1 ZINC000180929694 1430120747 /nfs/dbraw/zinc/12/07/47/1430120747.db2.gz KVYSVTMYENQCFU-UHFFFAOYSA-N 0 1 390.346 3.091 20 0 GGADMN C[C@@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccc(-c2ccncc2)cc1 ZINC000180931580 1430121432 /nfs/dbraw/zinc/12/14/32/1430121432.db2.gz HDHKDHAIQMSBPR-QGZVFWFLSA-N 0 1 395.503 3.201 20 0 GGADMN C[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccc(-c2ccncc2)cc1 ZINC000180931559 1430121485 /nfs/dbraw/zinc/12/14/85/1430121485.db2.gz HDHKDHAIQMSBPR-KRWDZBQOSA-N 0 1 395.503 3.201 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000180932087 1430121505 /nfs/dbraw/zinc/12/15/05/1430121505.db2.gz GSJGGIRPCGRUJV-CQSZACIVSA-N 0 1 392.477 3.099 20 0 GGADMN CC[C@@H](C)Oc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)ccn1 ZINC000180935877 1430123744 /nfs/dbraw/zinc/12/37/44/1430123744.db2.gz ZTOKBGJBDUUDLJ-MRXNPFEDSA-N 0 1 383.492 3.468 20 0 GGADMN CC[C@H](C)Oc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)ccn1 ZINC000180935894 1430123850 /nfs/dbraw/zinc/12/38/50/1430123850.db2.gz ZTOKBGJBDUUDLJ-INIZCTEOSA-N 0 1 383.492 3.468 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736134475 1430124003 /nfs/dbraw/zinc/12/40/03/1430124003.db2.gz VINKHDLQTXWMJQ-CQSZACIVSA-N 0 1 379.468 3.118 20 0 GGADMN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCCCN1Cc1ccccc1 ZINC000180936641 1430124632 /nfs/dbraw/zinc/12/46/32/1430124632.db2.gz GHBNZSGIBHNMTG-NZQKXSOJSA-N 0 1 391.515 3.242 20 0 GGADMN CC[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccccc1F ZINC000180942554 1430127237 /nfs/dbraw/zinc/12/72/37/1430127237.db2.gz AVKDNKNAQXBVMK-LJQANCHMSA-N 0 1 393.480 3.154 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000180952543 1430132287 /nfs/dbraw/zinc/13/22/87/1430132287.db2.gz GNQMPYYEFANQGS-UGKGYDQZSA-N 0 1 379.504 3.271 20 0 GGADMN C[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(OCC(F)(F)F)cc1 ZINC000180952853 1430132675 /nfs/dbraw/zinc/13/26/75/1430132675.db2.gz MYKNRPXWZIOOAQ-ZDUSSCGKSA-N 0 1 377.366 3.486 20 0 GGADMN C[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(OCC(F)(F)F)cc1 ZINC000180952875 1430132816 /nfs/dbraw/zinc/13/28/16/1430132816.db2.gz MYKNRPXWZIOOAQ-CYBMUJFWSA-N 0 1 377.366 3.486 20 0 GGADMN Cc1c([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cnn1-c1cccc(Cl)c1 ZINC000180959120 1430135802 /nfs/dbraw/zinc/13/58/02/1430135802.db2.gz ALIKPLLOJWKZOY-DJJJIMSYSA-N 0 1 398.898 3.024 20 0 GGADMN Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000180959739 1430136494 /nfs/dbraw/zinc/13/64/94/1430136494.db2.gz RNFDNZRSOZYXPX-SJCJKPOMSA-N 0 1 399.495 3.447 20 0 GGADMN CCOCCCNC(=O)[C@@H](C)N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000180959973 1430136580 /nfs/dbraw/zinc/13/65/80/1430136580.db2.gz HKSCBBITFGNENF-QGZVFWFLSA-N 0 1 386.540 3.167 20 0 GGADMN CCOc1ccc([C@@H](CC)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000180963759 1430139217 /nfs/dbraw/zinc/13/92/17/1430139217.db2.gz TVVQOGLCXLJRAN-MSOLQXFVSA-N 0 1 386.496 3.064 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000180964504 1430140288 /nfs/dbraw/zinc/14/02/88/1430140288.db2.gz MYJYIXUOHIJQTB-BLLLJJGKSA-N 0 1 380.464 3.233 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000180972224 1430144064 /nfs/dbraw/zinc/14/40/64/1430144064.db2.gz AJJRIBGTEKTILK-LBPRGKRZSA-N 0 1 395.381 3.016 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccc(OCC(F)(F)F)cc1 ZINC000180972244 1430144165 /nfs/dbraw/zinc/14/41/65/1430144165.db2.gz AJJRIBGTEKTILK-GFCCVEGCSA-N 0 1 395.381 3.016 20 0 GGADMN Cn1c(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)nnc1-c1ccccc1 ZINC000180972588 1430144806 /nfs/dbraw/zinc/14/48/06/1430144806.db2.gz JLAJUPLYEULCID-UHFFFAOYSA-N 0 1 382.374 3.477 20 0 GGADMN Cc1cc(C[NH+]2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000180973281 1430144938 /nfs/dbraw/zinc/14/49/38/1430144938.db2.gz HIMCTQAICCSRRL-UHFFFAOYSA-N 0 1 397.953 3.393 20 0 GGADMN Cc1ccc(CN(CCO)C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000180980418 1430149803 /nfs/dbraw/zinc/14/98/03/1430149803.db2.gz DKMYPZOMHNWKFX-UHFFFAOYSA-N 0 1 396.516 3.202 20 0 GGADMN C[C@H](CCO)N(CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1 ZINC000180980899 1430149883 /nfs/dbraw/zinc/14/98/83/1430149883.db2.gz PKAXKSXYXJXACF-QGZVFWFLSA-N 0 1 398.532 3.205 20 0 GGADMN C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000736127574 1430151877 /nfs/dbraw/zinc/15/18/77/1430151877.db2.gz RSWBTFIOBIXQIL-QVKFZJNVSA-N 0 1 398.470 3.411 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000826274238 1430156721 /nfs/dbraw/zinc/15/67/21/1430156721.db2.gz KXHPAVHOYRRFCA-UYAOXDASSA-N 0 1 389.507 3.061 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nn1-c1ccc(F)cc1 ZINC000180995773 1430158144 /nfs/dbraw/zinc/15/81/44/1430158144.db2.gz NBFWPKISIQERJV-OAHLLOKOSA-N 0 1 394.454 3.335 20 0 GGADMN O=S(=O)(C[C@@H](O)CNC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000180999723 1430160394 /nfs/dbraw/zinc/16/03/94/1430160394.db2.gz MCDOPONBQUZMMY-SFHVURJKSA-N 0 1 387.526 3.262 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCC[C@@H]3CCCCO3)cc2)C[C@@H](C)O1 ZINC000181008919 1430164143 /nfs/dbraw/zinc/16/41/43/1430164143.db2.gz TWPMVHUWNATJNE-OPYAIIAOSA-N 0 1 389.540 3.054 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCC[C@@H]3CCCCO3)cc2)C[C@H](C)O1 ZINC000181008878 1430164191 /nfs/dbraw/zinc/16/41/91/1430164191.db2.gz TWPMVHUWNATJNE-UEXGIBASSA-N 0 1 389.540 3.054 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CCN1Cc1ccccc1 ZINC000181022533 1430172124 /nfs/dbraw/zinc/17/21/24/1430172124.db2.gz YDVYNLTWLJTLJE-HXUWFJFHSA-N 0 1 380.492 3.304 20 0 GGADMN CC[C@@H](C)n1nc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000825081120 1430173775 /nfs/dbraw/zinc/17/37/75/1430173775.db2.gz GKARIRYHRMGGOL-OAHLLOKOSA-N 0 1 394.527 3.419 20 0 GGADMN CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2cccc3ccccc32)cc1 ZINC000181028624 1430175554 /nfs/dbraw/zinc/17/55/54/1430175554.db2.gz FUMKFHCHKDQVLS-HNNXBMFYSA-N 0 1 397.500 3.037 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)[C@H]1C ZINC000736267296 1430175713 /nfs/dbraw/zinc/17/57/13/1430175713.db2.gz RVAHXJNTIQCPRG-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)[C@H]1C ZINC000736267296 1430175718 /nfs/dbraw/zinc/17/57/18/1430175718.db2.gz RVAHXJNTIQCPRG-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)[C@H]1C ZINC000736267296 1430175722 /nfs/dbraw/zinc/17/57/22/1430175722.db2.gz RVAHXJNTIQCPRG-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NNC(=O)c2cc3ccccc3o2)cc1OC ZINC000181030809 1430176307 /nfs/dbraw/zinc/17/63/07/1430176307.db2.gz QKNUAVQYOKVRMY-CYBMUJFWSA-N 0 1 382.416 3.090 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3nccs3)CCN2C2CC2)c1 ZINC000181035128 1430179418 /nfs/dbraw/zinc/17/94/18/1430179418.db2.gz XGNMIVVOIIQLID-MORSLUCNSA-N 0 1 386.521 3.490 20 0 GGADMN COC[C@H](O)CCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000181038870 1430180366 /nfs/dbraw/zinc/18/03/66/1430180366.db2.gz GPZSMSCBJHTAGN-FOIQADDNSA-N 0 1 377.868 3.188 20 0 GGADMN C[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N1CCc2ccccc2C1 ZINC000824429870 1430180389 /nfs/dbraw/zinc/18/03/89/1430180389.db2.gz ZUARFHMFISPGIM-ZHRRBRCNSA-N 0 1 388.519 3.281 20 0 GGADMN Clc1ccc(C2(C[NH2+]Cc3cc(-c4nn[n-]n4)cs3)CCOCC2)cc1 ZINC000822574091 1430181348 /nfs/dbraw/zinc/18/13/48/1430181348.db2.gz OCYURHCGOPIYOZ-UHFFFAOYSA-N 0 1 389.912 3.420 20 0 GGADMN Cc1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1F ZINC000181044407 1430183547 /nfs/dbraw/zinc/18/35/47/1430183547.db2.gz NNHYVBFPWPASKW-HNNXBMFYSA-N 0 1 378.469 3.328 20 0 GGADMN O=C(NCc1cc2ccccc2o1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181047497 1430184393 /nfs/dbraw/zinc/18/43/93/1430184393.db2.gz SVAMVVOGSUOVSD-UHFFFAOYSA-N 0 1 385.508 3.467 20 0 GGADMN Cc1ccccc1C[C@H](C)NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181053004 1430187669 /nfs/dbraw/zinc/18/76/69/1430187669.db2.gz WAKWCWZBAQJSOU-FQEVSTJZSA-N 0 1 387.568 3.460 20 0 GGADMN C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824899831 1430187740 /nfs/dbraw/zinc/18/77/40/1430187740.db2.gz PFSCUFDZSBCHPV-FZKQIMNGSA-N 0 1 389.463 3.273 20 0 GGADMN CCOc1ccc(S(=O)(=O)[N-]c2cc(C[NH+]3CCCC3)ccc2C)cn1 ZINC000181054400 1430188250 /nfs/dbraw/zinc/18/82/50/1430188250.db2.gz RXZFAGCIAPFKDW-UHFFFAOYSA-N 0 1 375.494 3.185 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C)C(=O)N1CCCCC1 ZINC000181058044 1430190108 /nfs/dbraw/zinc/19/01/08/1430190108.db2.gz AHIXTQSFPBZVIL-HNAYVOBHSA-N 0 1 377.504 3.020 20 0 GGADMN CCOc1ccccc1CNC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181057561 1430190146 /nfs/dbraw/zinc/19/01/46/1430190146.db2.gz VEDYDXDNJNGKMB-UHFFFAOYSA-N 0 1 389.540 3.119 20 0 GGADMN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820051124 1430194085 /nfs/dbraw/zinc/19/40/85/1430194085.db2.gz LMQBQWMVGMSRFY-GOSISDBHSA-N 0 1 394.545 3.347 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N(C)CCCn1ccnc1 ZINC000181072460 1430197938 /nfs/dbraw/zinc/19/79/38/1430197938.db2.gz ZUSDVHZFTPWDHV-CQSZACIVSA-N 0 1 387.484 3.495 20 0 GGADMN O=C1[C@H](N2CCC[C@H](C3OCCO3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181073719 1430198912 /nfs/dbraw/zinc/19/89/12/1430198912.db2.gz BANOBMOOGOILAN-BLLLJJGKSA-N 0 1 385.291 3.184 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](C3OCCO3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181073704 1430199020 /nfs/dbraw/zinc/19/90/20/1430199020.db2.gz BANOBMOOGOILAN-LRDDRELGSA-N 0 1 385.291 3.184 20 0 GGADMN Cc1ccoc1C(=O)NCCCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000181074098 1430199087 /nfs/dbraw/zinc/19/90/87/1430199087.db2.gz LEJYQACVMGPPMO-CQSZACIVSA-N 0 1 385.443 3.087 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822596622 1430199272 /nfs/dbraw/zinc/19/92/72/1430199272.db2.gz NRMTWZYRTOLJFD-IBGZPJMESA-N 0 1 398.474 3.343 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)N(C)CCCn3ccnc3)n2)cc1 ZINC000181081125 1430202514 /nfs/dbraw/zinc/20/25/14/1430202514.db2.gz DMZLYXSDTVHTSC-OAHLLOKOSA-N 0 1 399.520 3.364 20 0 GGADMN Cc1cc(CN2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)no1 ZINC000181089845 1430205492 /nfs/dbraw/zinc/20/54/92/1430205492.db2.gz DDAXJRQZRJSVIF-UHFFFAOYSA-N 0 1 390.394 3.147 20 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C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCCC[C@@H]1C ZINC000181110862 1430214494 /nfs/dbraw/zinc/21/44/94/1430214494.db2.gz YETCKMSCAUUWPE-QWRGUYRKSA-N 0 1 379.411 3.412 20 0 GGADMN CCOCCOc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)cc1 ZINC000181110744 1430214518 /nfs/dbraw/zinc/21/45/18/1430214518.db2.gz WBDULPXVERHDON-UHFFFAOYSA-N 0 1 393.509 3.294 20 0 GGADMN O=C1[C@@H](N2CCC[C@H](Cn3cncn3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000181112852 1430214829 /nfs/dbraw/zinc/21/48/29/1430214829.db2.gz QOTXCIFLDHLYHW-GUYCJALGSA-N 0 1 394.306 3.102 20 0 GGADMN CCOC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000181114938 1430215307 /nfs/dbraw/zinc/21/53/07/1430215307.db2.gz JYUYMJMHBGBBRD-LLVKDONJSA-N 0 1 381.383 3.243 20 0 GGADMN O=C(NC[C@@H](O)COc1ccc(F)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181115448 1430215868 /nfs/dbraw/zinc/21/58/68/1430215868.db2.gz NOTXMWKTJZRZFS-GFCCVEGCSA-N 0 1 394.353 3.201 20 0 GGADMN O=C(CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCCCCC1 ZINC000181120216 1430217262 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GGADMN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)Nc2nncs2)cc1 ZINC000181137570 1430222512 /nfs/dbraw/zinc/22/25/12/1430222512.db2.gz CJKWKEQVRKNGPA-KRWDZBQOSA-N 0 1 386.452 3.198 20 0 GGADMN Cc1ccc(N2CC[C@H](N[C@@H](C)c3cccc(N4CCOC4=O)c3)C2=O)cc1 ZINC000181145206 1430225739 /nfs/dbraw/zinc/22/57/39/1430225739.db2.gz WIFGHBJAMHABFZ-JXFKEZNVSA-N 0 1 379.460 3.408 20 0 GGADMN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4nn5c(nc(C)cc5=O)s4)C3)nc2c1 ZINC000181155033 1430230097 /nfs/dbraw/zinc/23/00/97/1430230097.db2.gz JYYKYKIIRURZQA-CQSZACIVSA-N 0 1 394.504 3.024 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(Cc4nn5c(nc(C)cc5=O)s4)C3)[nH]c2c1 ZINC000181155033 1430230101 /nfs/dbraw/zinc/23/01/01/1430230101.db2.gz JYYKYKIIRURZQA-CQSZACIVSA-N 0 1 394.504 3.024 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)N(C)CC3)c1 ZINC000181161604 1430232624 /nfs/dbraw/zinc/23/26/24/1430232624.db2.gz DKKZNQUHLXXISU-UHFFFAOYSA-N 0 1 397.294 3.251 20 0 GGADMN O=C(Nc1ccccc1CN1CCSCC1)C(=O)N[C@H]1CC12CCCCC2 ZINC000181166172 1430234272 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CCc1nc(C)c([C@H](C)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)s1 ZINC000181208772 1430247890 /nfs/dbraw/zinc/24/78/90/1430247890.db2.gz MKZOMUKNMREFQY-SJCJKPOMSA-N 0 1 389.521 3.487 20 0 GGADMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCN(c3cc(OC)cc(OC)c3)C1=O)CC2 ZINC000181208604 1430248021 /nfs/dbraw/zinc/24/80/21/1430248021.db2.gz CUFQAWYZHFFJNB-LEWJYISDSA-N 0 1 382.460 3.095 20 0 GGADMN COc1ccc2c(c1)[C@H](N[C@H]1CCN(c3cc(OC)cc(OC)c3)C1=O)CC2 ZINC000181208622 1430248056 /nfs/dbraw/zinc/24/80/56/1430248056.db2.gz CUFQAWYZHFFJNB-RTWAWAEBSA-N 0 1 382.460 3.095 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccccc3N(C)C)C2=O)c1 ZINC000181208882 1430248332 /nfs/dbraw/zinc/24/83/32/1430248332.db2.gz PQCGNPZJPIJCHI-MGPUTAFESA-N 0 1 383.492 3.226 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)n[nH]2)cc1 ZINC000181216754 1430250011 /nfs/dbraw/zinc/25/00/11/1430250011.db2.gz ZTAUUENYUPHEES-IBGZPJMESA-N 0 1 377.444 3.169 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)NCC1(CN2CCOCC2)CCCCC1 ZINC000181226023 1430251461 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3.098 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000181284893 1430262693 /nfs/dbraw/zinc/26/26/93/1430262693.db2.gz LQYCRNYHWPYECH-HNNXBMFYSA-N 0 1 385.439 3.058 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc3c(c2)OCCCO3)C1=O ZINC000181286766 1430263011 /nfs/dbraw/zinc/26/30/11/1430263011.db2.gz UFYUJLYOCWTBBB-DOTOQJQBSA-N 0 1 382.460 3.313 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2cnn(Cc3ccccc3)c2)C1=O ZINC000181286415 1430263056 /nfs/dbraw/zinc/26/30/56/1430263056.db2.gz AMURBCYBVQHARH-PXNSSMCTSA-N 0 1 390.487 3.396 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc3c(c2)OCCCO3)C1=O ZINC000181286822 1430263115 /nfs/dbraw/zinc/26/31/15/1430263115.db2.gz UFYUJLYOCWTBBB-WBVHZDCISA-N 0 1 382.460 3.313 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181286588 1430263148 /nfs/dbraw/zinc/26/31/48/1430263148.db2.gz WJKWYHQDTOBJOP-CYBMUJFWSA-N 0 1 386.452 3.218 20 0 GGADMN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cccc(N3CCCC3=O)c2)C1=O ZINC000181288344 1430263775 /nfs/dbraw/zinc/26/37/75/1430263775.db2.gz JCAJLEZIBUMNFX-VQIMIIECSA-N 0 1 393.487 3.278 20 0 GGADMN CN(C)C(=O)c1cccc(C(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)c1 ZINC000181289569 1430263809 /nfs/dbraw/zinc/26/38/09/1430263809.db2.gz GLBDGGMJRAYZGD-QFIPXVFZSA-N 0 1 392.499 3.308 20 0 GGADMN CC[C@H](N[C@@H]1CCN(c2ccccc2OC)C1=O)c1ccc2c(c1)OCCO2 ZINC000181288492 1430263919 /nfs/dbraw/zinc/26/39/19/1430263919.db2.gz QFDUIDNGDICLQY-DLBZAZTESA-N 0 1 382.460 3.313 20 0 GGADMN CCc1nc(NC(=O)CN[C@H](C)c2ccc(N3CCOC3=O)cc2)sc1C ZINC000181288730 1430263924 /nfs/dbraw/zinc/26/39/24/1430263924.db2.gz SBUDCKVMVRBAOZ-GFCCVEGCSA-N 0 1 388.493 3.260 20 0 GGADMN CCc1nc(NC(=O)CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)sc1C ZINC000181288712 1430264027 /nfs/dbraw/zinc/26/40/27/1430264027.db2.gz SBUDCKVMVRBAOZ-LBPRGKRZSA-N 0 1 388.493 3.260 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)s1 ZINC000181290240 1430264248 /nfs/dbraw/zinc/26/42/48/1430264248.db2.gz CXFVCMUKILJLDO-HIFRSBDPSA-N 0 1 389.521 3.105 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccc(-n2cnnc2)cc1 ZINC000181290711 1430264301 /nfs/dbraw/zinc/26/43/01/1430264301.db2.gz CHNLUYAYYGWHBH-JOCHJYFZSA-N 0 1 388.471 3.187 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccnc1Cl ZINC000181292296 1430264712 /nfs/dbraw/zinc/26/47/12/1430264712.db2.gz KRDAVDHCNKNSMV-QWHCGFSZSA-N 0 1 388.855 3.369 20 0 GGADMN C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291640 1430264836 /nfs/dbraw/zinc/26/48/36/1430264836.db2.gz CZFKLKOJSZSYNG-MJGOQNOKSA-N 0 1 381.524 3.298 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000181292236 1430264881 /nfs/dbraw/zinc/26/48/81/1430264881.db2.gz YYZXTULDOALHIR-OAHLLOKOSA-N 0 1 397.479 3.244 20 0 GGADMN O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1cccc(-n2cccn2)n1 ZINC000181292807 1430265298 /nfs/dbraw/zinc/26/52/98/1430265298.db2.gz GENQYZRZZUSWSG-HXUWFJFHSA-N 0 1 388.471 3.187 20 0 GGADMN CC1([C@H]2CCCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)C2)OCCO1 ZINC000181295170 1430265747 /nfs/dbraw/zinc/26/57/47/1430265747.db2.gz FYXWNSMXGCEKJC-ZDUSSCGKSA-N 0 1 375.856 3.345 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC[C@@H]1CCCCO1)N1CCCCC1 ZINC000181298282 1430266264 /nfs/dbraw/zinc/26/62/64/1430266264.db2.gz ZYMZGMLZSGBMJK-AZUAARDMSA-N 0 1 389.540 3.481 20 0 GGADMN C[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181300012 1430266713 /nfs/dbraw/zinc/26/67/13/1430266713.db2.gz LGEAPGQRVTZROI-AWEZNQCLSA-N 0 1 387.867 3.264 20 0 GGADMN Cc1ccc(CN(C(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)C2CC2)o1 ZINC000181299659 1430266780 /nfs/dbraw/zinc/26/67/80/1430266780.db2.gz ZNSWTMQDBLGPGB-INIZCTEOSA-N 0 1 397.475 3.386 20 0 GGADMN O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181303887 1430268228 /nfs/dbraw/zinc/26/82/28/1430268228.db2.gz LNCXIRYTYYEJBV-UHFFFAOYSA-N 0 1 378.766 3.409 20 0 GGADMN C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(N2CCOC2=O)c1 ZINC000181304553 1430268239 /nfs/dbraw/zinc/26/82/39/1430268239.db2.gz FNEOPMOELSUASY-ZDUSSCGKSA-N 0 1 398.850 3.155 20 0 GGADMN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181307426 1430269029 /nfs/dbraw/zinc/26/90/29/1430269029.db2.gz RBHJZDQLTMSURM-UHFFFAOYSA-N 0 1 397.385 3.279 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181307246 1430269169 /nfs/dbraw/zinc/26/91/69/1430269169.db2.gz AFIOSKYVNGYXCB-IAGOWNOFSA-N 0 1 381.476 3.307 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1cccc(N2CCOC2=O)c1 ZINC000181307649 1430269260 /nfs/dbraw/zinc/26/92/60/1430269260.db2.gz YWEAVQALSCXKDP-GFCCVEGCSA-N 0 1 375.375 3.211 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCCc1cccs1)c1cccc(N2CCOC2=O)c1 ZINC000181311261 1430269936 /nfs/dbraw/zinc/26/99/36/1430269936.db2.gz KRFKAIZWJOSOCG-CABCVRRESA-N 0 1 387.505 3.103 20 0 GGADMN C[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000181314818 1430270704 /nfs/dbraw/zinc/27/07/04/1430270704.db2.gz MQKDRPGRQAANRZ-HOTGVXAUSA-N 0 1 379.460 3.272 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181315782 1430271207 /nfs/dbraw/zinc/27/12/07/1430271207.db2.gz ZZFSVDPVLLSEAM-CABCVRRESA-N 0 1 385.468 3.098 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1ccccn1 ZINC000181315746 1430271402 /nfs/dbraw/zinc/27/14/02/1430271402.db2.gz BAZDTHIAPACOON-LJQANCHMSA-N 0 1 388.515 3.230 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000181318657 1430271754 /nfs/dbraw/zinc/27/17/54/1430271754.db2.gz CKRIBQLQSWVNAG-SCLBCKFNSA-N 0 1 378.469 3.298 20 0 GGADMN COc1ccc(S(=O)(=O)[N-]c2cccc(OCCC[NH+](C)C)c2)c(C)c1F ZINC000181319888 1430272095 /nfs/dbraw/zinc/27/20/95/1430272095.db2.gz VIGVMWFODMRSRH-UHFFFAOYSA-N 0 1 396.484 3.274 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181320612 1430272322 /nfs/dbraw/zinc/27/23/22/1430272322.db2.gz AENBBJLCUFXEIP-QGZVFWFLSA-N 0 1 381.476 3.261 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)n(C)n1 ZINC000181321133 1430272468 /nfs/dbraw/zinc/27/24/68/1430272468.db2.gz XUPQHIIYOTXVPW-INIZCTEOSA-N 0 1 378.480 3.348 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCCc1ccc(F)cc1 ZINC000181326250 1430273632 /nfs/dbraw/zinc/27/36/32/1430273632.db2.gz WJEASKKBFWYJPM-HOTGVXAUSA-N 0 1 399.466 3.180 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)n(C(C)(C)C)n1 ZINC000181328154 1430273870 /nfs/dbraw/zinc/27/38/70/1430273870.db2.gz ZTIQNZRXGKMSOO-HNNXBMFYSA-N 0 1 399.495 3.192 20 0 GGADMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(N3CCOC3=O)c2)n(C(C)(C)C)n1 ZINC000181328177 1430273898 /nfs/dbraw/zinc/27/38/98/1430273898.db2.gz ZTIQNZRXGKMSOO-OAHLLOKOSA-N 0 1 399.495 3.192 20 0 GGADMN C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000181329618 1430274216 /nfs/dbraw/zinc/27/42/16/1430274216.db2.gz LGWGTBIYTKLFMP-HNNXBMFYSA-N 0 1 397.479 3.244 20 0 GGADMN O=C(Cc1cn2ccsc2n1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181330597 1430274667 /nfs/dbraw/zinc/27/46/67/1430274667.db2.gz QJNFRMMJEAVCML-HNNXBMFYSA-N 0 1 392.488 3.130 20 0 GGADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[n-]2)C1 ZINC000181333315 1430275104 /nfs/dbraw/zinc/27/51/04/1430275104.db2.gz MRQDWBHJWPBGAN-RBUKOAKNSA-N 0 1 381.524 3.441 20 0 GGADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[n-]2)C1 ZINC000181333315 1430275108 /nfs/dbraw/zinc/27/51/08/1430275108.db2.gz MRQDWBHJWPBGAN-RBUKOAKNSA-N 0 1 381.524 3.441 20 0 GGADMN Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000181333026 1430275176 /nfs/dbraw/zinc/27/51/76/1430275176.db2.gz KSWHCLGAGQOPBF-IAGOWNOFSA-N 0 1 381.476 3.307 20 0 GGADMN Cc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)nn1-c1ccccc1Cl ZINC000181334203 1430275488 /nfs/dbraw/zinc/27/54/88/1430275488.db2.gz JNVQMKUIGGAYQN-GOSISDBHSA-N 0 1 388.899 3.416 20 0 GGADMN Cc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)nn1-c1cc(C)cc(C)c1 ZINC000181344143 1430278402 /nfs/dbraw/zinc/27/84/02/1430278402.db2.gz AWXGSALPVGSYJZ-HXUWFJFHSA-N 0 1 382.508 3.379 20 0 GGADMN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1nnc2ccccc2c1O ZINC000181344144 1430278418 /nfs/dbraw/zinc/27/84/18/1430278418.db2.gz AOWQFSZNIYBXEP-OAHLLOKOSA-N 0 1 383.276 3.235 20 0 GGADMN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)nn1-c1cc(C)cc(C)c1 ZINC000181344123 1430278556 /nfs/dbraw/zinc/27/85/56/1430278556.db2.gz AWXGSALPVGSYJZ-FQEVSTJZSA-N 0 1 382.508 3.379 20 0 GGADMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181350278 1430279535 /nfs/dbraw/zinc/27/95/35/1430279535.db2.gz ANPDGIPCLNSTJV-HNNXBMFYSA-N 0 1 391.537 3.360 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 ZINC000181355023 1430280618 /nfs/dbraw/zinc/28/06/18/1430280618.db2.gz HGTMSBIDLZXVIC-INIZCTEOSA-N 0 1 383.517 3.165 20 0 GGADMN CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000181356708 1430281130 /nfs/dbraw/zinc/28/11/30/1430281130.db2.gz QQZKAUVWFQKFFM-INIZCTEOSA-N 0 1 397.435 3.435 20 0 GGADMN COCCc1nc(C)c([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000181369347 1430282895 /nfs/dbraw/zinc/28/28/95/1430282895.db2.gz CYXJMGYNGFBAHA-VIFPVBQESA-N 0 1 387.427 3.347 20 0 GGADMN C[C@@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cccnc1 ZINC000181370991 1430283237 /nfs/dbraw/zinc/28/32/37/1430283237.db2.gz WFBYXRSWLQYHDS-APWZRJJASA-N 0 1 381.476 3.257 20 0 GGADMN C[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cccnc1 ZINC000181370974 1430283517 /nfs/dbraw/zinc/28/35/17/1430283517.db2.gz WFBYXRSWLQYHDS-LPHOPBHVSA-N 0 1 381.476 3.257 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1 ZINC000181374340 1430284202 /nfs/dbraw/zinc/28/42/02/1430284202.db2.gz DGRSLKKZBONKMV-OAHLLOKOSA-N 0 1 392.425 3.100 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000181374829 1430284212 /nfs/dbraw/zinc/28/42/12/1430284212.db2.gz WWKHYWNSCLWOKX-YGRLFVJLSA-N 0 1 393.322 3.380 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1 ZINC000181374321 1430284248 /nfs/dbraw/zinc/28/42/48/1430284248.db2.gz DGRSLKKZBONKMV-HNNXBMFYSA-N 0 1 392.425 3.100 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1ccc(Br)cc1 ZINC000181374035 1430284368 /nfs/dbraw/zinc/28/43/68/1430284368.db2.gz OQPUCIZCXGPMGA-FZMZJTMJSA-N 0 1 375.332 3.241 20 0 GGADMN CCc1ccc(-n2nc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)c3c2CCC3)cc1 ZINC000181379866 1430285304 /nfs/dbraw/zinc/28/53/04/1430285304.db2.gz TYAWTJKHHUDPCN-IBGZPJMESA-N 0 1 390.491 3.409 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000181384002 1430285568 /nfs/dbraw/zinc/28/55/68/1430285568.db2.gz RBVNLJZEJCRXDD-HNNXBMFYSA-N 0 1 390.480 3.077 20 0 GGADMN CC1([C@@H]2CCCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)OCCO1 ZINC000181386694 1430286701 /nfs/dbraw/zinc/28/67/01/1430286701.db2.gz ALWZBPXEFZKPNV-CQSZACIVSA-N 0 1 375.856 3.345 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(OCC(F)F)ccn1 ZINC000181388018 1430286809 /nfs/dbraw/zinc/28/68/09/1430286809.db2.gz NFSNOTJJISQAFI-UHFFFAOYSA-N 0 1 393.409 3.259 20 0 GGADMN C[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000181394761 1430288089 /nfs/dbraw/zinc/28/80/89/1430288089.db2.gz YGRIAWOZBXDGQK-OXJNMPFZSA-N 0 1 393.487 3.104 20 0 GGADMN C[C@@H]1CN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)[C@H]2CCCC[C@H]12 ZINC000181397505 1430288541 /nfs/dbraw/zinc/28/85/41/1430288541.db2.gz DUBBWOLPSQGRKU-FMKPAKJESA-N 0 1 383.521 3.185 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC[C@@H]1CCCCO1)N1CCCC1 ZINC000181397459 1430288551 /nfs/dbraw/zinc/28/85/51/1430288551.db2.gz LLFLUQKRDCUAGA-PKOBYXMFSA-N 0 1 375.513 3.091 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCC[C@@H]1CCCCO1)N1CCCC1 ZINC000181397478 1430288568 /nfs/dbraw/zinc/28/85/68/1430288568.db2.gz LLFLUQKRDCUAGA-HKUYNNGSSA-N 0 1 375.513 3.091 20 0 GGADMN Cc1nc(CN2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)oc1C ZINC000181400805 1430289088 /nfs/dbraw/zinc/28/90/88/1430289088.db2.gz JZHGROOPGHCEJK-HZPDHXFCSA-N 0 1 399.388 3.467 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181407436 1430290288 /nfs/dbraw/zinc/29/02/88/1430290288.db2.gz SMSMNACAIHLCKT-KRWDZBQOSA-N 0 1 395.503 3.131 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181409190 1430290744 /nfs/dbraw/zinc/29/07/44/1430290744.db2.gz DSPSWIRAMNLUKZ-ZWKOTPCHSA-N 0 1 379.504 3.477 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCc1ccccc1F ZINC000181410895 1430291320 /nfs/dbraw/zinc/29/13/20/1430291320.db2.gz IJKARZMNJAOCNV-HOTGVXAUSA-N 0 1 383.467 3.308 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181412690 1430291735 /nfs/dbraw/zinc/29/17/35/1430291735.db2.gz BOFNALLTBJSXOB-JKSUJKDBSA-N 0 1 381.476 3.500 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NCCc1cccs1 ZINC000181416063 1430293022 /nfs/dbraw/zinc/29/30/22/1430293022.db2.gz LJNODIIMFJRCPU-HOTGVXAUSA-N 0 1 385.533 3.273 20 0 GGADMN COc1ccc(CN(C)C(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181416279 1430293066 /nfs/dbraw/zinc/29/30/66/1430293066.db2.gz WBYUBOBGJJCSCT-KRWDZBQOSA-N 0 1 395.503 3.131 20 0 GGADMN CC(C)CN1CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000181419135 1430293835 /nfs/dbraw/zinc/29/38/35/1430293835.db2.gz NWTLLWIHKQVIHI-IBGZPJMESA-N 0 1 397.485 3.470 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(F)cc2nc[nH]c21 ZINC000181421075 1430294279 /nfs/dbraw/zinc/29/42/79/1430294279.db2.gz CWXZUSSCHXHWSU-AWEZNQCLSA-N 0 1 390.777 3.030 20 0 GGADMN C[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1cccc(N2CCCC2=O)c1 ZINC000181420289 1430294415 /nfs/dbraw/zinc/29/44/15/1430294415.db2.gz VAFQKEQAZGBBDU-AWEZNQCLSA-N 0 1 378.428 3.476 20 0 GGADMN C[C@@H](NCC(=O)N1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000181421839 1430294766 /nfs/dbraw/zinc/29/47/66/1430294766.db2.gz GABZUIQGPJZHNR-QGZVFWFLSA-N 0 1 377.488 3.049 20 0 GGADMN O=C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)OCc1ccccc1 ZINC000181422532 1430294820 /nfs/dbraw/zinc/29/48/20/1430294820.db2.gz YYKZALPVMAZJSD-UHFFFAOYSA-N 0 1 379.460 3.100 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181426355 1430296054 /nfs/dbraw/zinc/29/60/54/1430296054.db2.gz OZTZANGJWXMARA-HNNXBMFYSA-N 0 1 394.475 3.061 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181429516 1430296852 /nfs/dbraw/zinc/29/68/52/1430296852.db2.gz MXIBMWACLRAXKG-SFHVURJKSA-N 0 1 379.504 3.431 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@@H]2CCCC[C@@H]2O)cs1 ZINC000181431168 1430297411 /nfs/dbraw/zinc/29/74/11/1430297411.db2.gz DRSUVSMJHZYZLW-RXVVDRJESA-N 0 1 399.560 3.491 20 0 GGADMN C[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000181432984 1430297712 /nfs/dbraw/zinc/29/77/12/1430297712.db2.gz HWOATNYFQOKZQE-AWEZNQCLSA-N 0 1 387.430 3.059 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181435547 1430298162 /nfs/dbraw/zinc/29/81/62/1430298162.db2.gz SDRCNMNMAUCJLC-SJORKVTESA-N 0 1 395.503 3.350 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181437211 1430298460 /nfs/dbraw/zinc/29/84/60/1430298460.db2.gz LUKPFKDBLZQDGS-QGZVFWFLSA-N 0 1 395.503 3.131 20 0 GGADMN O=C1[C@@H](N2CCN(CC3CC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000181436019 1430298626 /nfs/dbraw/zinc/29/86/26/1430298626.db2.gz UDEVKENKQACGQO-IBGZPJMESA-N 0 1 395.469 3.224 20 0 GGADMN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000181438652 1430298971 /nfs/dbraw/zinc/29/89/71/1430298971.db2.gz FCVZAILEIPGWMP-GUBZILKMSA-N 0 1 380.357 3.192 20 0 GGADMN COC[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000181440072 1430299271 /nfs/dbraw/zinc/29/92/71/1430299271.db2.gz HDDVFZBVPXANAL-BEFAXECRSA-N 0 1 385.838 3.473 20 0 GGADMN COC[C@@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000181440089 1430299454 /nfs/dbraw/zinc/29/94/54/1430299454.db2.gz HDDVFZBVPXANAL-DNVCBOLYSA-N 0 1 385.838 3.473 20 0 GGADMN COc1ccc([C@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(OC)c1 ZINC000181440778 1430299834 /nfs/dbraw/zinc/29/98/34/1430299834.db2.gz SSMMUDYDOOXYQN-STQMWFEESA-N 0 1 376.403 3.438 20 0 GGADMN COc1ccc([C@@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(OC)c1 ZINC000181440797 1430299968 /nfs/dbraw/zinc/29/99/68/1430299968.db2.gz SSMMUDYDOOXYQN-OLZOCXBDSA-N 0 1 376.403 3.438 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000181445588 1430301000 /nfs/dbraw/zinc/30/10/00/1430301000.db2.gz MHUXJBSXKFVSSQ-MSOLQXFVSA-N 0 1 379.504 3.477 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 ZINC000181446246 1430301206 /nfs/dbraw/zinc/30/12/06/1430301206.db2.gz OOUVTAMSAJWNKG-WCQYABFASA-N 0 1 395.475 3.375 20 0 GGADMN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc(N2CCCC2=O)c1 ZINC000181447535 1430301798 /nfs/dbraw/zinc/30/17/98/1430301798.db2.gz YNBIEVFWTYMXNS-OXJNMPFZSA-N 0 1 379.460 3.489 20 0 GGADMN Cc1csc2nc(CN[C@H](C)c3cccc(N4CCCC4=O)c3)cc(=O)n12 ZINC000181448861 1430302098 /nfs/dbraw/zinc/30/20/98/1430302098.db2.gz YGDSLRPPQJVDNR-CQSZACIVSA-N 0 1 382.489 3.042 20 0 GGADMN COc1cc(C)ccc1CNC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000181451202 1430302672 /nfs/dbraw/zinc/30/26/72/1430302672.db2.gz LZXCAFGAZOALOD-UHFFFAOYSA-N 0 1 389.540 3.038 20 0 GGADMN C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181453923 1430303523 /nfs/dbraw/zinc/30/35/23/1430303523.db2.gz ACPKYBACQVODEX-XHDPSFHLSA-N 0 1 394.422 3.151 20 0 GGADMN CN(CCn1cccn1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181456089 1430303783 /nfs/dbraw/zinc/30/37/83/1430303783.db2.gz SHQVPHGYIJNNGR-QGZVFWFLSA-N 0 1 380.414 3.025 20 0 GGADMN Cc1cccc(C2=CCN(C(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)CC2)c1 ZINC000181458653 1430304052 /nfs/dbraw/zinc/30/40/52/1430304052.db2.gz SCXFUGJHRUJGDP-UHFFFAOYSA-N 0 1 377.469 3.450 20 0 GGADMN Cc1cccc(C2=CCN(C(=O)Cn3c(=O)c4ccccc4[nH]c3=S)CC2)c1 ZINC000181458728 1430304249 /nfs/dbraw/zinc/30/42/49/1430304249.db2.gz TULLTWWRLWIBDI-UHFFFAOYSA-N 0 1 391.496 3.310 20 0 GGADMN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2cccc3c2OCCCO3)cc1 ZINC000181460155 1430304586 /nfs/dbraw/zinc/30/45/86/1430304586.db2.gz MFNPTMGHIOIHCB-HNNXBMFYSA-N 0 1 390.505 3.460 20 0 GGADMN CC(C)c1csc(CNC(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000181460817 1430304693 /nfs/dbraw/zinc/30/46/93/1430304693.db2.gz KTQUYLYAYPJCIQ-UHFFFAOYSA-N 0 1 394.585 3.301 20 0 GGADMN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)CCc1ccncc1 ZINC000181472085 1430306868 /nfs/dbraw/zinc/30/68/68/1430306868.db2.gz QXKGYWRNDABZMK-INIZCTEOSA-N 0 1 375.900 3.135 20 0 GGADMN Cc1nc([C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)c2ccc(Cl)cc2)no1 ZINC000181483683 1430308254 /nfs/dbraw/zinc/30/82/54/1430308254.db2.gz DHYDVAMVVREQGK-KRWDZBQOSA-N 0 1 394.818 3.392 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181484101 1430308259 /nfs/dbraw/zinc/30/82/59/1430308259.db2.gz QCWNYFLQLVDQPU-LBPRGKRZSA-N 0 1 376.478 3.482 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000181482693 1430308357 /nfs/dbraw/zinc/30/83/57/1430308357.db2.gz FRMXAGHMCOKTTN-NRFANRHFSA-N 0 1 375.472 3.263 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@H]1CCCC[C@@H]1O ZINC000181485829 1430308708 /nfs/dbraw/zinc/30/87/08/1430308708.db2.gz BZXNYRDRXBCGSY-QUCCMNQESA-N 0 1 384.524 3.219 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc(O)c2)c1 ZINC000181487555 1430309121 /nfs/dbraw/zinc/30/91/21/1430309121.db2.gz MAXZTPFAGVBMCV-QRWLVFNGSA-N 0 1 384.476 3.424 20 0 GGADMN CCCOc1ccc(CN(CCN2C(=O)CNC2=O)Cc2ccccc2)cc1 ZINC000181489088 1430309507 /nfs/dbraw/zinc/30/95/07/1430309507.db2.gz AKAZGSWYPQLYSR-UHFFFAOYSA-N 0 1 381.476 3.029 20 0 GGADMN CN(CCc1ccncc1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000181490651 1430309584 /nfs/dbraw/zinc/30/95/84/1430309584.db2.gz JUUNWTYAICTKRY-KRWDZBQOSA-N 0 1 379.382 3.260 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@H](c1ccccc1F)C1CCCC1)c1ccccc1 ZINC000181499184 1430311154 /nfs/dbraw/zinc/31/11/54/1430311154.db2.gz OPFXPAWEFKWDNR-VXKWHMMOSA-N 0 1 397.494 3.250 20 0 GGADMN O=C(CN[C@H](c1ccccc1F)C1CCCC1)NC1CCC2(CC1)OCCO2 ZINC000181500924 1430311303 /nfs/dbraw/zinc/31/13/03/1430311303.db2.gz RZBZHLYADFSBBL-NRFANRHFSA-N 0 1 390.499 3.449 20 0 GGADMN OCC[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000181500313 1430311454 /nfs/dbraw/zinc/31/14/54/1430311454.db2.gz KWHDHMVWXFCLOB-MRXNPFEDSA-N 0 1 383.418 3.102 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN[C@@H](CCO)C2CCCCC2)n1 ZINC000181509253 1430312803 /nfs/dbraw/zinc/31/28/03/1430312803.db2.gz NHLUSKWMAOLYHG-HNNXBMFYSA-N 0 1 396.532 3.250 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000181512666 1430313198 /nfs/dbraw/zinc/31/31/98/1430313198.db2.gz NWRZUCVTGDBNCL-INIZCTEOSA-N 0 1 392.546 3.371 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(O)c1 ZINC000181513653 1430313426 /nfs/dbraw/zinc/31/34/26/1430313426.db2.gz UEKGSJAXWROOMU-HNNXBMFYSA-N 0 1 393.443 3.205 20 0 GGADMN CCc1c2cc(C)ccc2oc1[C@@H](C)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000181521219 1430314447 /nfs/dbraw/zinc/31/44/47/1430314447.db2.gz YXPRFERNQBHACC-OAHLLOKOSA-N 0 1 393.487 3.370 20 0 GGADMN COc1ccccc1CN(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181530045 1430315784 /nfs/dbraw/zinc/31/57/84/1430315784.db2.gz UNXIUCZVFLSIEN-UHFFFAOYSA-N 0 1 388.374 3.106 20 0 GGADMN Cn1cccc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181537037 1430316958 /nfs/dbraw/zinc/31/69/58/1430316958.db2.gz JJTQGUNKFYLPFS-OAHLLOKOSA-N 0 1 387.390 3.141 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000181537363 1430317198 /nfs/dbraw/zinc/31/71/98/1430317198.db2.gz IFMQBOSZPQHTMD-HXUWFJFHSA-N 0 1 386.540 3.046 20 0 GGADMN C[C@@](O)(CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(F)cc1 ZINC000181545067 1430317985 /nfs/dbraw/zinc/31/79/85/1430317985.db2.gz IYIXLRMWIFAGGT-GOSISDBHSA-N 0 1 378.810 3.196 20 0 GGADMN C[C@](O)(CNCc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(F)cc1 ZINC000181545087 1430318203 /nfs/dbraw/zinc/31/82/03/1430318203.db2.gz IYIXLRMWIFAGGT-SFHVURJKSA-N 0 1 378.810 3.196 20 0 GGADMN COCCC[C@@H](C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000181548025 1430318649 /nfs/dbraw/zinc/31/86/49/1430318649.db2.gz TUQUQPASCGWLCJ-OAHLLOKOSA-N 0 1 376.478 3.489 20 0 GGADMN COc1cc(CCNC(=O)CN[C@H](C)c2cccc(O)c2)ccc1OC(F)F ZINC000181551230 1430318891 /nfs/dbraw/zinc/31/88/91/1430318891.db2.gz VTBOWJRENXZTMA-CYBMUJFWSA-N 0 1 394.418 3.012 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000181562210 1430320622 /nfs/dbraw/zinc/32/06/22/1430320622.db2.gz JINJLDCTBQHJJL-CVEARBPZSA-N 0 1 383.492 3.091 20 0 GGADMN CSCCCCCCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181562896 1430320745 /nfs/dbraw/zinc/32/07/45/1430320745.db2.gz LMXYNIRUOILEBZ-UHFFFAOYSA-N 0 1 384.452 3.479 20 0 GGADMN Cc1ccccc1[C@@H](C)NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000181561911 1430320797 /nfs/dbraw/zinc/32/07/97/1430320797.db2.gz KKPDHIKCZQNALX-CQSZACIVSA-N 0 1 394.454 3.277 20 0 GGADMN Cc1[nH]c2ccccc2c1C1CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181565631 1430321042 /nfs/dbraw/zinc/32/10/42/1430321042.db2.gz UTNPEIYMRKYFHR-UHFFFAOYSA-N 0 1 385.508 3.114 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181574098 1430322259 /nfs/dbraw/zinc/32/22/59/1430322259.db2.gz UZCVCQULPJWLOK-RTBURBONSA-N 0 1 387.455 3.419 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000181574116 1430322286 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3.034 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000181580066 1430323235 /nfs/dbraw/zinc/32/32/35/1430323235.db2.gz PPTOVZUMEVYDQT-CYBMUJFWSA-N 0 1 377.460 3.034 20 0 GGADMN Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000181585779 1430323963 /nfs/dbraw/zinc/32/39/63/1430323963.db2.gz GRBOCTXDJIAVJW-HXUWFJFHSA-N 0 1 386.455 3.257 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181588717 1430324216 /nfs/dbraw/zinc/32/42/16/1430324216.db2.gz KNWZRNIEBKINCR-OAHLLOKOSA-N 0 1 392.496 3.244 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000181594980 1430325416 /nfs/dbraw/zinc/32/54/16/1430325416.db2.gz KXICYXLAJMPTFU-CYBMUJFWSA-N 0 1 396.459 3.438 20 0 GGADMN COCCCOc1cccc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000181601616 1430325914 /nfs/dbraw/zinc/32/59/14/1430325914.db2.gz ZHPMIEJAUQXGRQ-MRXNPFEDSA-N 0 1 377.506 3.356 20 0 GGADMN COCCCOc1cccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000181602331 1430326375 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GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2nc(CC(C)C)no2)CC1 ZINC000181635338 1430332187 /nfs/dbraw/zinc/33/21/87/1430332187.db2.gz MNCHPPVGSYWGSZ-MRXNPFEDSA-N 0 1 389.519 3.400 20 0 GGADMN Cc1cc(C)c2c(c1)[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)CCCO2 ZINC000181637900 1430332665 /nfs/dbraw/zinc/33/26/65/1430332665.db2.gz ILJMLQDBEQGXJM-NVXWUHKLSA-N 0 1 395.546 3.003 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2nc(C(C)(C)C)no2)CC1 ZINC000181640183 1430332908 /nfs/dbraw/zinc/33/29/08/1430332908.db2.gz WWTQUEHINPFAQQ-HNNXBMFYSA-N 0 1 389.519 3.499 20 0 GGADMN CCc1noc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)n1 ZINC000181640879 1430333311 /nfs/dbraw/zinc/33/33/11/1430333311.db2.gz OUKJZICACVDDAO-LSDHHAIUSA-N 0 1 375.492 3.325 20 0 GGADMN C[C@H](NCC(=O)NCc1cccc(COCc2ccco2)c1)c1cccnc1 ZINC000181642478 1430333325 /nfs/dbraw/zinc/33/33/25/1430333325.db2.gz RGEYRMHLTNKBRE-KRWDZBQOSA-N 0 1 379.460 3.358 20 0 GGADMN CC(C)[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccc(Cl)cc1F ZINC000181661799 1430337312 /nfs/dbraw/zinc/33/73/12/1430337312.db2.gz LZDDYNRQIDZBRN-KBXCAEBGSA-N 0 1 384.927 3.111 20 0 GGADMN O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1ccc(OCC(F)F)cc1 ZINC000181665023 1430337909 /nfs/dbraw/zinc/33/79/09/1430337909.db2.gz WFPSKBUQOKJMJO-UHFFFAOYSA-N 0 1 397.325 3.050 20 0 GGADMN CCC[C@@H](NCC(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)cc1F ZINC000181667939 1430338621 /nfs/dbraw/zinc/33/86/21/1430338621.db2.gz TXSZCUHUADBHJT-GOSISDBHSA-N 0 1 382.451 3.197 20 0 GGADMN CC(C)OC1CCC(NC(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000181671731 1430339130 /nfs/dbraw/zinc/33/91/30/1430339130.db2.gz FDPBWSFQOPZSFZ-UHFFFAOYSA-N 0 1 395.588 3.257 20 0 GGADMN COC(=O)c1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000181686514 1430341722 /nfs/dbraw/zinc/34/17/22/1430341722.db2.gz NPGISMROVIVRHM-HNNXBMFYSA-N 0 1 382.460 3.459 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2ccc(C(=O)OC)c(OC)c2)s1 ZINC000181688275 1430341944 /nfs/dbraw/zinc/34/19/44/1430341944.db2.gz NMYJHWAQHGUSJS-GFCCVEGCSA-N 0 1 378.494 3.286 20 0 GGADMN C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1OCc1ccccc1 ZINC000181691821 1430342395 /nfs/dbraw/zinc/34/23/95/1430342395.db2.gz BRFOFAPRDMTPRU-IEBWSBKVSA-N 0 1 388.533 3.340 20 0 GGADMN COCCC[C@H](C)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000181707451 1430344710 /nfs/dbraw/zinc/34/47/10/1430344710.db2.gz PUKSSVBMOARJHX-KRWDZBQOSA-N 0 1 381.948 3.031 20 0 GGADMN CCCCCn1c2nnc(SCc3n[nH]c(CC)n3)n2c2ccccc2c1=O ZINC000181710034 1430345335 /nfs/dbraw/zinc/34/53/35/1430345335.db2.gz KZUCTIQJVCJBKC-UHFFFAOYSA-N 0 1 397.508 3.207 20 0 GGADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000181717789 1430346517 /nfs/dbraw/zinc/34/65/17/1430346517.db2.gz VFVJYLWNPAUEMN-GOSISDBHSA-N 0 1 393.509 3.124 20 0 GGADMN O=C(Nc1cccc(Cl)c1)N1CCCN(CCO[C@@H]2CCCCO2)CC1 ZINC000181753949 1430352635 /nfs/dbraw/zinc/35/26/35/1430352635.db2.gz JOGOREYQKLWZKO-GOSISDBHSA-N 0 1 381.904 3.423 20 0 GGADMN O=C(Nc1cccc(Cl)c1)N1CCCN(CCO[C@H]2CCCCO2)CC1 ZINC000181753967 1430352683 /nfs/dbraw/zinc/35/26/83/1430352683.db2.gz JOGOREYQKLWZKO-SFHVURJKSA-N 0 1 381.904 3.423 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n[nH]1 ZINC000181756333 1430353333 /nfs/dbraw/zinc/35/33/33/1430353333.db2.gz GIULKQUYSHVSKV-UHFFFAOYSA-N 0 1 384.436 3.057 20 0 GGADMN CCC[C@H](NCC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000181774647 1430357163 /nfs/dbraw/zinc/35/71/63/1430357163.db2.gz QHXBPVVMYDNBDQ-JXFKEZNVSA-N 0 1 385.483 3.250 20 0 GGADMN CC(C)Cn1cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cn1 ZINC000181777486 1430358061 /nfs/dbraw/zinc/35/80/61/1430358061.db2.gz USNHNSSMILKFKW-QZTJIDSGSA-N 0 1 384.524 3.078 20 0 GGADMN CC(C)Cn1cc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 ZINC000181793359 1430361675 /nfs/dbraw/zinc/36/16/75/1430361675.db2.gz XKDJBPSKAABTNE-KRWDZBQOSA-N 0 1 396.413 3.333 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1-c1nnnn1C1CC1 ZINC000181799001 1430362912 /nfs/dbraw/zinc/36/29/12/1430362912.db2.gz GXYQUHRDJXZPIN-UHFFFAOYSA-N 0 1 389.868 3.438 20 0 GGADMN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000181801341 1430363203 /nfs/dbraw/zinc/36/32/03/1430363203.db2.gz HAFBVVGLEVWFHO-UHFFFAOYSA-N 0 1 376.409 3.059 20 0 GGADMN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000181800559 1430363214 /nfs/dbraw/zinc/36/32/14/1430363214.db2.gz IMEBDFXJMUZFAU-UHFFFAOYSA-N 0 1 376.409 3.104 20 0 GGADMN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000181801563 1430363230 /nfs/dbraw/zinc/36/32/30/1430363230.db2.gz MSXNPTKYTXZLGY-LLVKDONJSA-N 0 1 390.436 3.127 20 0 GGADMN Cc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC000181815113 1430366212 /nfs/dbraw/zinc/36/62/12/1430366212.db2.gz DMKUPVBBIKZVIJ-ZDUSSCGKSA-N 0 1 384.392 3.051 20 0 GGADMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000181825328 1430367832 /nfs/dbraw/zinc/36/78/32/1430367832.db2.gz GZNOABRXUACRMN-HNNXBMFYSA-N 0 1 398.463 3.331 20 0 GGADMN CC1(C)[C@H](NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)[C@H]2CCO[C@@H]21 ZINC000181825129 1430368102 /nfs/dbraw/zinc/36/81/02/1430368102.db2.gz GOTJLKMUAHJSSN-MLHJIOFPSA-N 0 1 395.507 3.174 20 0 GGADMN CC(C)OC(=O)C[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000181827349 1430368598 /nfs/dbraw/zinc/36/85/98/1430368598.db2.gz KQDIGCJKTNTIFZ-GOSISDBHSA-N 0 1 386.517 3.305 20 0 GGADMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000181828991 1430368672 /nfs/dbraw/zinc/36/86/72/1430368672.db2.gz YQFNQSUXPQAYCI-AWEZNQCLSA-N 0 1 396.447 3.085 20 0 GGADMN CC(C)OC(=O)C[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000181832187 1430369290 /nfs/dbraw/zinc/36/92/90/1430369290.db2.gz YNJZLRGRVOMUMW-OAQYLSRUSA-N 0 1 380.488 3.244 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(OC)cc1 ZINC000181835880 1430370081 /nfs/dbraw/zinc/37/00/81/1430370081.db2.gz HINXHDVHMTVOGC-RHSMWYFYSA-N 0 1 390.505 3.167 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)C[C@](C)(O)c3ccccc3)CC2)cc1 ZINC000181838065 1430370206 /nfs/dbraw/zinc/37/02/06/1430370206.db2.gz 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CC[C@@](C)(COc1ncccc1Cl)NCc1nc2ccccc2c(=O)n1C ZINC000182967604 1430582614 /nfs/dbraw/zinc/58/26/14/1430582614.db2.gz PCTWRORPXNWUKQ-FQEVSTJZSA-N 0 1 386.883 3.319 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)NCc1nc2ccccc2c(=O)n1C ZINC000182967628 1430582643 /nfs/dbraw/zinc/58/26/43/1430582643.db2.gz PCTWRORPXNWUKQ-HXUWFJFHSA-N 0 1 386.883 3.319 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCN1Cc1ccccc1 ZINC000182970562 1430582966 /nfs/dbraw/zinc/58/29/66/1430582966.db2.gz AJHZKOKSKQFPCO-GOSISDBHSA-N 0 1 398.482 3.443 20 0 GGADMN Cc1ccccc1Cc1nnc(CN2CCC(CCCN3CCOCC3)CC2)o1 ZINC000182987850 1430586398 /nfs/dbraw/zinc/58/63/98/1430586398.db2.gz QBBKTZAYGYEYNP-UHFFFAOYSA-N 0 1 398.551 3.293 20 0 GGADMN COC[C@@H](NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000183006128 1430590909 /nfs/dbraw/zinc/59/09/09/1430590909.db2.gz QALYGTOSMTUQAR-SJORKVTESA-N 0 1 399.821 3.400 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1c(C)cccc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183011477 1430592145 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GGADMN COc1ccc(CN2CCCN(C(=O)/C=C/c3ccc(OC)c(O)c3)CC2)cc1 ZINC000183355268 1430686876 /nfs/dbraw/zinc/68/68/76/1430686876.db2.gz BSMIBWWALXJDTD-YRNVUSSQSA-N 0 1 396.487 3.157 20 0 GGADMN COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)cc1 ZINC000183355238 1430687130 /nfs/dbraw/zinc/68/71/30/1430687130.db2.gz QFAYIMGJODYUBY-UHFFFAOYSA-N 0 1 394.393 3.166 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)c(F)c([O-])c3F)CC2)cc1 ZINC000183355238 1430687136 /nfs/dbraw/zinc/68/71/36/1430687136.db2.gz QFAYIMGJODYUBY-UHFFFAOYSA-N 0 1 394.393 3.166 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc2nn[nH]c21 ZINC000183356859 1430688162 /nfs/dbraw/zinc/68/81/62/1430688162.db2.gz BIHFVOFMSQDKNB-UHFFFAOYSA-N 0 1 391.353 3.078 20 0 GGADMN C[C@H](NCC(=O)N1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000183363490 1430689779 /nfs/dbraw/zinc/68/97/79/1430689779.db2.gz JUOWPGFCFDDZIH-JTQLQIEISA-N 0 1 384.320 3.234 20 0 GGADMN C[C@@H](NCC(=O)N1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000183363511 1430689922 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O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1c2nsnc2ccc1Cl ZINC000183398574 1430701272 /nfs/dbraw/zinc/70/12/72/1430701272.db2.gz DBANLYAJKQTGMT-UHFFFAOYSA-N 0 1 384.826 3.195 20 0 GGADMN Fc1ccc([C@H](NC[C@@]2(N3CCOCC3)CCSC2)c2ccccc2)nc1 ZINC000183407527 1430703733 /nfs/dbraw/zinc/70/37/33/1430703733.db2.gz FICNIIHUCXIFJW-RTWAWAEBSA-N 0 1 387.524 3.108 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1nn[nH]n1 ZINC000183410951 1430704334 /nfs/dbraw/zinc/70/43/34/1430704334.db2.gz CDDWQWVSSMRSGQ-HZSPNIEDSA-N 0 1 382.493 3.121 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cnn1C ZINC000183414954 1430705568 /nfs/dbraw/zinc/70/55/68/1430705568.db2.gz SQZLTAOPTUBEGP-RNFRBKRXSA-N 0 1 376.329 3.102 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cnn1C ZINC000183414941 1430705708 /nfs/dbraw/zinc/70/57/08/1430705708.db2.gz SQZLTAOPTUBEGP-BQBZGAKWSA-N 0 1 376.329 3.102 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccnc(O[C@@H]4CCOC4)c3)[nH]c2c1 ZINC000183419455 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ZINC000183497498 1430727960 /nfs/dbraw/zinc/72/79/60/1430727960.db2.gz AIDBQLKLNJGMTJ-SJCJKPOMSA-N 0 1 379.382 3.449 20 0 GGADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@H](c1nc(C)cs1)C1CC1 ZINC000183498329 1430728090 /nfs/dbraw/zinc/72/80/90/1430728090.db2.gz MXCFDEJZESXWED-LPHOPBHVSA-N 0 1 390.505 3.143 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([C@H](C)O)C3)cc2Cl)CC1 ZINC000183518466 1430733420 /nfs/dbraw/zinc/73/34/20/1430733420.db2.gz WMXQELINGNVLIX-JKSUJKDBSA-N 0 1 394.947 3.107 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CC[C@H]([C@@H](C)O)C3)cc2Cl)CC1 ZINC000183518410 1430733638 /nfs/dbraw/zinc/73/36/38/1430733638.db2.gz WMXQELINGNVLIX-CVEARBPZSA-N 0 1 394.947 3.107 20 0 GGADMN CCn1c(=S)n(CN2CCC(CCCN3CCOCC3)CC2)nc1C1CC1 ZINC000183520195 1430733737 /nfs/dbraw/zinc/73/37/37/1430733737.db2.gz QPMYMFYMYCUHAC-UHFFFAOYSA-N 0 1 393.601 3.093 20 0 GGADMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)NCCCN1CCCCCC1=O ZINC000183534795 1430736982 /nfs/dbraw/zinc/73/69/82/1430736982.db2.gz LSHZNWMFLSHUNQ-KRWDZBQOSA-N 0 1 385.508 3.301 20 0 GGADMN CC(C)N1CCN(c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccc3)cc2)CC1 ZINC000183540976 1430738536 /nfs/dbraw/zinc/73/85/36/1430738536.db2.gz HMCXKKJINSHMQJ-NRFANRHFSA-N 0 1 390.487 3.178 20 0 GGADMN CC[C@@H](CSC)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000183562315 1430742491 /nfs/dbraw/zinc/74/24/91/1430742491.db2.gz ZYPBWKODTRXOFQ-HOCLYGCPSA-N 0 1 382.549 3.079 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1Cl ZINC000183564181 1430742822 /nfs/dbraw/zinc/74/28/22/1430742822.db2.gz DJKRQYVAQUCHTQ-SFHVURJKSA-N 0 1 385.899 3.435 20 0 GGADMN O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000183564944 1430742848 /nfs/dbraw/zinc/74/28/48/1430742848.db2.gz VXCNORGLJHMFFO-AWEZNQCLSA-N 0 1 378.394 3.104 20 0 GGADMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000183570897 1430743802 /nfs/dbraw/zinc/74/38/02/1430743802.db2.gz FBHVXWCCBJTXRW-KRWDZBQOSA-N 0 1 393.487 3.296 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1 ZINC000183588139 1430748426 /nfs/dbraw/zinc/74/84/26/1430748426.db2.gz JGONPEHWFQBMHJ-UHFFFAOYSA-N 0 1 395.246 3.128 20 0 GGADMN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc(-n2cccn2)c1 ZINC000183590010 1430748595 /nfs/dbraw/zinc/74/85/95/1430748595.db2.gz LSRIMYJYTWLKOD-CYBMUJFWSA-N 0 1 384.509 3.311 20 0 GGADMN COCc1nnc(-c2cccc(C(=O)N3CCN(C4CCC(C)CC4)CC3)c2)o1 ZINC000183597040 1430750529 /nfs/dbraw/zinc/75/05/29/1430750529.db2.gz PTTLBRSDCZAINZ-UHFFFAOYSA-N 0 1 398.507 3.220 20 0 GGADMN Cc1cc(C)n(-c2ccccc2NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)n1 ZINC000183599250 1430751216 /nfs/dbraw/zinc/75/12/16/1430751216.db2.gz WEAUFUNBBVGZDY-UHFFFAOYSA-N 0 1 399.838 3.315 20 0 GGADMN Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(F)c(F)c([O-])c3F)CC2)oc1C ZINC000183605514 1430752641 /nfs/dbraw/zinc/75/26/41/1430752641.db2.gz LRIIDBIODACBGF-UHFFFAOYSA-N 0 1 397.397 3.056 20 0 GGADMN CC(C)(C)C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C(F)(F)F ZINC000183604187 1430752759 /nfs/dbraw/zinc/75/27/59/1430752759.db2.gz BXEISNKMMSVORL-LBPRGKRZSA-N 0 1 387.427 3.169 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1cn(C)nc1-c1ccccc1)c1cccc(F)c1 ZINC000183629936 1430758436 /nfs/dbraw/zinc/75/84/36/1430758436.db2.gz WPGSLFRUUSKOGP-HXUWFJFHSA-N 0 1 395.482 3.328 20 0 GGADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H](C)c2cccc(F)c2F)CC1 ZINC000183634427 1430759661 /nfs/dbraw/zinc/75/96/61/1430759661.db2.gz MAUBJHPLOWDMSP-KGLIPLIRSA-N 0 1 382.451 3.196 20 0 GGADMN C[C@@H](NC(=O)CN[C@H](CO)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000183643663 1430761889 /nfs/dbraw/zinc/76/18/89/1430761889.db2.gz WWMQRKBDYFICOG-CXAGYDPISA-N 0 1 382.382 3.086 20 0 GGADMN C[C@H](NC(=O)CN[C@H](CO)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000183643644 1430762027 /nfs/dbraw/zinc/76/20/27/1430762027.db2.gz WWMQRKBDYFICOG-SUMWQHHRSA-N 0 1 382.382 3.086 20 0 GGADMN C[C@H](NC(=O)CN[C@@H](CO)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000183643615 1430762126 /nfs/dbraw/zinc/76/21/26/1430762126.db2.gz WWMQRKBDYFICOG-GUYCJALGSA-N 0 1 382.382 3.086 20 0 GGADMN O=C(CN[C@@H](CO)c1ccccc1)NCc1ccccc1COc1ccccc1 ZINC000183645440 1430762419 /nfs/dbraw/zinc/76/24/19/1430762419.db2.gz QHGKJUWWTYEQMA-QHCPKHFHSA-N 0 1 390.483 3.205 20 0 GGADMN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000183648661 1430763712 /nfs/dbraw/zinc/76/37/12/1430763712.db2.gz JDEJBEGIKCNGFY-AWEZNQCLSA-N 0 1 387.402 3.231 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000183652266 1430763977 /nfs/dbraw/zinc/76/39/77/1430763977.db2.gz CIUYZIHHGNITRS-INIZCTEOSA-N 0 1 386.414 3.007 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1ccccc1OC1CCCC1 ZINC000183650241 1430764132 /nfs/dbraw/zinc/76/41/32/1430764132.db2.gz SQEXGRPFJSSDSL-INIZCTEOSA-N 0 1 386.414 3.327 20 0 GGADMN Cc1cc(NC(=O)NNC(=O)c2ccc(Br)s2)ccc1N(C)C ZINC000183684545 1430772259 /nfs/dbraw/zinc/77/22/59/1430772259.db2.gz VPRKITVQPYNVCY-UHFFFAOYSA-N 0 1 397.298 3.352 20 0 GGADMN CC[C@H]1C[C@H](C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000183698156 1430775920 /nfs/dbraw/zinc/77/59/20/1430775920.db2.gz VXMMZZAHXLQRQJ-XLIONFOSSA-N 0 1 393.959 3.174 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000183722783 1430781066 /nfs/dbraw/zinc/78/10/66/1430781066.db2.gz VAXLLFDRFQGDIU-WFASDCNBSA-N 0 1 398.429 3.498 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)NC(=O)C5)C3)[nH]c2c1 ZINC000183729097 1430782438 /nfs/dbraw/zinc/78/24/38/1430782438.db2.gz RWNIJQOJVFIAKK-KRWDZBQOSA-N 0 1 388.471 3.315 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)nn1 ZINC000183739538 1430784060 /nfs/dbraw/zinc/78/40/60/1430784060.db2.gz IUNMLWAOKGEWND-UHFFFAOYSA-N 0 1 399.882 3.412 20 0 GGADMN C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1scnc1C1CCCC1 ZINC000183742525 1430785126 /nfs/dbraw/zinc/78/51/26/1430785126.db2.gz UNSBMDWGDYNYKH-LLVKDONJSA-N 0 1 377.441 3.168 20 0 GGADMN CC[C@H]1CN(CC(=O)Nc2cccc(NC(C)=O)c2)CCN1Cc1ccccc1 ZINC000183760433 1430788725 /nfs/dbraw/zinc/78/87/25/1430788725.db2.gz XFNYZOVHPHATGU-QFIPXVFZSA-N 0 1 394.519 3.180 20 0 GGADMN Cc1nc(Br)ccc1NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000183763531 1430789063 /nfs/dbraw/zinc/78/90/63/1430789063.db2.gz OGOUSWJFTXCGGJ-UHFFFAOYSA-N 0 1 389.209 3.365 20 0 GGADMN Cc1csc([C@H](C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000183777771 1430791702 /nfs/dbraw/zinc/79/17/02/1430791702.db2.gz XABREBSGWDUXPO-ZBFHGGJFSA-N 0 1 387.553 3.475 20 0 GGADMN COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000183779748 1430791751 /nfs/dbraw/zinc/79/17/51/1430791751.db2.gz HLAFZWFDPRMFEA-QFBILLFUSA-N 0 1 382.460 3.003 20 0 GGADMN Cc1csc([C@@H](C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000183777782 1430791908 /nfs/dbraw/zinc/79/19/08/1430791908.db2.gz XABREBSGWDUXPO-GOEBONIOSA-N 0 1 387.553 3.475 20 0 GGADMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1 ZINC000183785584 1430793565 /nfs/dbraw/zinc/79/35/65/1430793565.db2.gz RTGVXDFBBAKRFM-HUUCEWRRSA-N 0 1 396.491 3.372 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(C)o1 ZINC000183802712 1430797818 /nfs/dbraw/zinc/79/78/18/1430797818.db2.gz MKOOUHIVLQFVEI-MRXNPFEDSA-N 0 1 389.540 3.235 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)NN1Cc2ccccc2C1=O ZINC000183819494 1430800818 /nfs/dbraw/zinc/80/08/18/1430800818.db2.gz CNUKDZOCVOZLSS-UHFFFAOYSA-N 0 1 381.251 3.128 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183829905 1430802207 /nfs/dbraw/zinc/80/22/07/1430802207.db2.gz BBTTXNWHEKZKER-KGLIPLIRSA-N 0 1 382.888 3.151 20 0 GGADMN O=C(NN1Cc2ccccc2C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183830267 1430802233 /nfs/dbraw/zinc/80/22/33/1430802233.db2.gz JREJACWARYINNY-UHFFFAOYSA-N 0 1 380.385 3.019 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183829894 1430802281 /nfs/dbraw/zinc/80/22/81/1430802281.db2.gz BBTTXNWHEKZKER-KBPBESRZSA-N 0 1 382.888 3.151 20 0 GGADMN Cn1c(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)nc2c1cccc2Cl ZINC000183837719 1430803278 /nfs/dbraw/zinc/80/32/78/1430803278.db2.gz FSBPCAQLGQBVJJ-UHFFFAOYSA-N 0 1 385.836 3.004 20 0 GGADMN Cc1cc(C(=O)CN2CCC[C@H](C3(C)OCCO3)C2)c(C)n1Cc1ccco1 ZINC000183843241 1430804116 /nfs/dbraw/zinc/80/41/16/1430804116.db2.gz GSINNLZAHYRFPJ-SFHVURJKSA-N 0 1 386.492 3.404 20 0 GGADMN CC1([C@H]2CCCN([C@@H]3CCCN(c4ccccc4Cl)C3=O)C2)OCCO1 ZINC000183847921 1430804698 /nfs/dbraw/zinc/80/46/98/1430804698.db2.gz IAGAZDZWKVLWRL-MAUKXSAKSA-N 0 1 378.900 3.310 20 0 GGADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C2(C)OCCO2)C1 ZINC000183852389 1430805131 /nfs/dbraw/zinc/80/51/31/1430805131.db2.gz ZIUFWQZVXGIAOW-AEFFLSMTSA-N 0 1 386.492 3.427 20 0 GGADMN O=C(NN1Cc2ccccc2C1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183853080 1430805160 /nfs/dbraw/zinc/80/51/60/1430805160.db2.gz SAGVUVWERDEWBC-UHFFFAOYSA-N 0 1 380.385 3.019 20 0 GGADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C2(C)OCCO2)C1 ZINC000183852372 1430805218 /nfs/dbraw/zinc/80/52/18/1430805218.db2.gz ZIUFWQZVXGIAOW-WMZOPIPTSA-N 0 1 386.492 3.427 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183856354 1430805497 /nfs/dbraw/zinc/80/54/97/1430805497.db2.gz PRBUDDVJMFCQAW-CABCVRRESA-N 0 1 396.915 3.459 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183856368 1430805540 /nfs/dbraw/zinc/80/55/40/1430805540.db2.gz PRBUDDVJMFCQAW-GJZGRUSLSA-N 0 1 396.915 3.459 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183862099 1430806002 /nfs/dbraw/zinc/80/60/02/1430806002.db2.gz TYXOGUQTJCJDIV-KBPBESRZSA-N 0 1 384.423 3.090 20 0 GGADMN Cc1cc(-n2c(C)cc(C(=O)CN3CCC[C@@H](C4(C)OCCO4)C3)c2C)no1 ZINC000183867455 1430806771 /nfs/dbraw/zinc/80/67/71/1430806771.db2.gz AXGMAXUNENKDFO-QGZVFWFLSA-N 0 1 387.480 3.048 20 0 GGADMN CC1([C@@H]2CCCN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)C2)OCCO1 ZINC000183871292 1430807297 /nfs/dbraw/zinc/80/72/97/1430807297.db2.gz OJQRYJZXBQWHIU-GFCCVEGCSA-N 0 1 383.370 3.129 20 0 GGADMN O=C(NCC1(Cc2ccccc2)CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000183874844 1430807537 /nfs/dbraw/zinc/80/75/37/1430807537.db2.gz XNWYXASSABKZEX-NRFANRHFSA-N 0 1 385.552 3.153 20 0 GGADMN CCc1nn(C)c(OC)c1CN[C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183879793 1430808072 /nfs/dbraw/zinc/80/80/72/1430808072.db2.gz IABYIKFNFRGCNW-YOEHRIQHSA-N 0 1 380.533 3.259 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000183888669 1430809278 /nfs/dbraw/zinc/80/92/78/1430809278.db2.gz PGPHFDOETBHMTI-NEPJUHHUSA-N 0 1 399.421 3.047 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(NC=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000183896964 1430810019 /nfs/dbraw/zinc/81/00/19/1430810019.db2.gz CWRGSLGBIHJJBO-QGZVFWFLSA-N 0 1 379.382 3.306 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 ZINC000183896177 1430810099 /nfs/dbraw/zinc/81/00/99/1430810099.db2.gz SYLBJKGUOULZKJ-HNNXBMFYSA-N 0 1 380.366 3.467 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 ZINC000183896196 1430810154 /nfs/dbraw/zinc/81/01/54/1430810154.db2.gz SYLBJKGUOULZKJ-OAHLLOKOSA-N 0 1 380.366 3.467 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1cccc(C=O)c1)c1cccc(C(F)(F)F)c1 ZINC000183895422 1430810158 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GGADMN CC[N@H+](CCOc1ccccc1C(=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000183910617 1430812170 /nfs/dbraw/zinc/81/21/70/1430812170.db2.gz ZHWAPLYQHSJQJH-UHFFFAOYSA-N 0 1 378.375 3.002 20 0 GGADMN CC[N@@H+](CCOc1ccccc1C(=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000183910617 1430812172 /nfs/dbraw/zinc/81/21/72/1430812172.db2.gz ZHWAPLYQHSJQJH-UHFFFAOYSA-N 0 1 378.375 3.002 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSc1n[n-]c(=S)s1 ZINC000183912349 1430812182 /nfs/dbraw/zinc/81/21/82/1430812182.db2.gz ZTQQXNBMZDJCHT-AWEZNQCLSA-N 0 1 396.607 3.192 20 0 GGADMN O=S(=O)(C[C@H](O)CNC1c2ccccc2-c2ccccc21)c1cccs1 ZINC000183917004 1430813119 /nfs/dbraw/zinc/81/31/19/1430813119.db2.gz XXABQWUNROGHAR-CQSZACIVSA-N 0 1 385.510 3.242 20 0 GGADMN Cc1cnc(C(C)(C)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000183955351 1430818180 /nfs/dbraw/zinc/81/81/80/1430818180.db2.gz MGTJLAUEVNJDNC-UHFFFAOYSA-N 0 1 390.528 3.154 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)OC3CCN(CC(F)F)CC3)[nH]2)c1 ZINC000183962329 1430819303 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CCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184189433 1430853578 /nfs/dbraw/zinc/85/35/78/1430853578.db2.gz ZSJQKNMABRVQLP-FQEVSTJZSA-N 0 1 375.476 3.004 20 0 GGADMN CCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184189417 1430853705 /nfs/dbraw/zinc/85/37/05/1430853705.db2.gz ZSJQKNMABRVQLP-HXUWFJFHSA-N 0 1 375.476 3.004 20 0 GGADMN CC[C@H](C)c1ccccc1OCC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000184189742 1430853731 /nfs/dbraw/zinc/85/37/31/1430853731.db2.gz OBBHBNJRAAOHAK-SFHVURJKSA-N 0 1 375.557 3.111 20 0 GGADMN C[C@H](CC(=O)NC(C)(C)CCN1CCN(C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000184195160 1430854590 /nfs/dbraw/zinc/85/45/90/1430854590.db2.gz GHNDKUPWMOFRFA-MRXNPFEDSA-N 0 1 393.959 3.081 20 0 GGADMN Cc1nn(-c2ccccc2)cc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1 ZINC000184199103 1430855445 /nfs/dbraw/zinc/85/54/45/1430855445.db2.gz RCJRKRKKUNQEPP-UHFFFAOYSA-N 0 1 385.811 3.006 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C[S@](C)=O ZINC000184205162 1430856186 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GGADMN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cn[nH]c1C1CC1 ZINC000184264325 1430864448 /nfs/dbraw/zinc/86/44/48/1430864448.db2.gz KMPGMQXQJHZHEB-UHFFFAOYSA-N 0 1 382.445 3.340 20 0 GGADMN CCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1ccc(OC)cc1 ZINC000184263167 1430864456 /nfs/dbraw/zinc/86/44/56/1430864456.db2.gz LEAWYIWJAFCBPN-UHFFFAOYSA-N 0 1 382.508 3.144 20 0 GGADMN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000184271398 1430865725 /nfs/dbraw/zinc/86/57/25/1430865725.db2.gz WSARSPWVTBFVLR-UHFFFAOYSA-N 0 1 389.337 3.016 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(F)cc1S(=O)(=O)CC)N(C)C ZINC000184273801 1430865932 /nfs/dbraw/zinc/86/59/32/1430865932.db2.gz BHHWINGNMVNTDJ-INIZCTEOSA-N 0 1 387.521 3.107 20 0 GGADMN CC[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000184282156 1430867506 /nfs/dbraw/zinc/86/75/06/1430867506.db2.gz UNYXRIBCKUFTDT-KYJSFNMBSA-N 0 1 394.479 3.359 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCC[C@H](CC(=O)OC(C)C)C3)n[nH]2)c1 ZINC000184291795 1430869029 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GGADMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccccc3C(N)=O)c(C)c2c1 ZINC000184331026 1430874007 /nfs/dbraw/zinc/87/40/07/1430874007.db2.gz ZGXZIRWQZMNNMP-CYBMUJFWSA-N 0 1 381.432 3.138 20 0 GGADMN COc1ccc2oc([C@@H](C)NCC(=O)NC(=O)NCc3ccco3)c(C)c2c1 ZINC000184331750 1430874132 /nfs/dbraw/zinc/87/41/32/1430874132.db2.gz KJJVTLLHONKKOG-CYBMUJFWSA-N 0 1 385.420 3.019 20 0 GGADMN COC(=O)[C@@H](CC(C)C)NC(=O)CN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000184335528 1430874565 /nfs/dbraw/zinc/87/45/65/1430874565.db2.gz YNYYIXNRCXPEED-RHSMWYFYSA-N 0 1 390.480 3.104 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1nc2ccccn2n1)N1CCCCC1 ZINC000184345538 1430875788 /nfs/dbraw/zinc/87/57/88/1430875788.db2.gz ABPNYGUKPKMQBK-QGZVFWFLSA-N 0 1 394.479 3.087 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccccc2C[S@](C)=O)CN1Cc1ccccc1 ZINC000184345876 1430875915 /nfs/dbraw/zinc/87/59/15/1430875915.db2.gz BLNZOVUMXRXIDW-FZBPCLLLSA-N 0 1 385.533 3.350 20 0 GGADMN CC[C@H](NC[C@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000184348380 1430876384 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C[C@H]1C[C@H](c2cccnc2)N(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000184756090 1430968091 /nfs/dbraw/zinc/96/80/91/1430968091.db2.gz FFJXTCXXUJXADF-KBXCAEBGSA-N 0 1 394.500 3.080 20 0 GGADMN Cc1cc2c(cc1C)[C@H](C(=O)NNC(=O)c1ccc(Br)s1)CO2 ZINC000184760490 1430969099 /nfs/dbraw/zinc/96/90/99/1430969099.db2.gz ZXVOFWZVBBQOHC-LLVKDONJSA-N 0 1 395.278 3.065 20 0 GGADMN O=C(CCCNC(=O)c1ccc(-c2nnc[nH]2)cc1)Nc1ccc(Cl)cc1 ZINC000184761677 1430970007 /nfs/dbraw/zinc/97/00/07/1430970007.db2.gz PXJGPRGRWIYEGX-UHFFFAOYSA-N 0 1 383.839 3.274 20 0 GGADMN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000184782805 1430976026 /nfs/dbraw/zinc/97/60/26/1430976026.db2.gz XYBAHVRCBKJBBO-AVRDEDQJSA-N 0 1 378.520 3.052 20 0 GGADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)N3CCO[C@@H](C)C3)s2)cc1 ZINC000184785941 1430977240 /nfs/dbraw/zinc/97/72/40/1430977240.db2.gz MEJICYUAXFVZAD-UONOGXRCSA-N 0 1 389.521 3.025 20 0 GGADMN COc1ccc(-c2nc(C)c([C@@H](C)NCc3cc(=O)n4nccc4[nH]3)s2)cc1 ZINC000184786654 1430977627 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C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000184871135 1431008557 /nfs/dbraw/zinc/00/85/57/1431008557.db2.gz WXBFGUBYUBLLHX-SFHVURJKSA-N 0 1 378.520 3.062 20 0 GGADMN CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccc(F)cc1 ZINC000184880549 1431010896 /nfs/dbraw/zinc/01/08/96/1431010896.db2.gz HQVRERVFGXSDNZ-QGZVFWFLSA-N 0 1 382.395 3.035 20 0 GGADMN CCCCOc1ccc(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c(Cl)c1 ZINC000184883828 1431012168 /nfs/dbraw/zinc/01/21/68/1431012168.db2.gz ISCUPLSNFBBPLP-QGZVFWFLSA-N 0 1 393.959 3.371 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000184885210 1431012283 /nfs/dbraw/zinc/01/22/83/1431012283.db2.gz NONZZYVDJODAEK-DLBZAZTESA-N 0 1 384.505 3.089 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000184885178 1431012315 /nfs/dbraw/zinc/01/23/15/1431012315.db2.gz NONZZYVDJODAEK-IRXDYDNUSA-N 0 1 384.505 3.089 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000184885192 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391.515 3.225 20 0 GGADMN Cc1cc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1C ZINC000184956829 1431030580 /nfs/dbraw/zinc/03/05/80/1431030580.db2.gz YNLUWXAMPCSXEL-OKILXGFUSA-N 0 1 396.553 3.036 20 0 GGADMN CC(C)[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ncn(C)c3Cl)c2C1 ZINC000184960383 1431031247 /nfs/dbraw/zinc/03/12/47/1431031247.db2.gz UZHPXVUGKWBPPC-LBPRGKRZSA-N 0 1 382.917 3.234 20 0 GGADMN CC(C)[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ncn(C)c3Cl)c2C1 ZINC000184960383 1431031252 /nfs/dbraw/zinc/03/12/52/1431031252.db2.gz UZHPXVUGKWBPPC-LBPRGKRZSA-N 0 1 382.917 3.234 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000184980938 1431035491 /nfs/dbraw/zinc/03/54/91/1431035491.db2.gz GJABCIMLXWEZSZ-WMQCIHAUSA-N 0 1 388.556 3.500 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000185001141 1431039106 /nfs/dbraw/zinc/03/91/06/1431039106.db2.gz WAPGXRVMVPIFTH-INIZCTEOSA-N 0 1 394.441 3.459 20 0 GGADMN CCc1nn(C)c(CC)c1CN[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000185001125 1431039163 /nfs/dbraw/zinc/03/91/63/1431039163.db2.gz WAPGXRVMVPIFTH-MRXNPFEDSA-N 0 1 394.441 3.459 20 0 GGADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CN1C1CC1 ZINC000185005912 1431040279 /nfs/dbraw/zinc/04/02/79/1431040279.db2.gz QYACQYOTQSBKDM-ZANVPECISA-N 0 1 389.805 3.039 20 0 GGADMN CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000185029892 1431044887 /nfs/dbraw/zinc/04/48/87/1431044887.db2.gz UHTVOVBQCPATQJ-UHFFFAOYSA-N 0 1 389.521 3.248 20 0 GGADMN CC(C)(C)OC(=O)c1ccccc1OCCN[C@](C)(C(N)=O)c1ccccc1 ZINC000185031114 1431045214 /nfs/dbraw/zinc/04/52/14/1431045214.db2.gz GKAMQNOCNQGZGW-QFIPXVFZSA-N 0 1 384.476 3.011 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000185035735 1431046455 /nfs/dbraw/zinc/04/64/55/1431046455.db2.gz VVPXWQIZRIYVSC-LBPRGKRZSA-N 0 1 387.390 3.222 20 0 GGADMN C[C@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1cn(C)c2ccccc12 ZINC000185038160 1431046601 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0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cccc(F)c1 ZINC000185063548 1431052365 /nfs/dbraw/zinc/05/23/65/1431052365.db2.gz JQMUMGDZXLUEKM-IFMALSPDSA-N 0 1 383.467 3.269 20 0 GGADMN Cn1nc(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c2ccccc21 ZINC000185077507 1431055333 /nfs/dbraw/zinc/05/53/33/1431055333.db2.gz SCFHWRBXCWGNIN-QFIPXVFZSA-N 0 1 376.504 3.287 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(CCOc1ccc(Cl)cc1Cl)CC2 ZINC000185095645 1431059570 /nfs/dbraw/zinc/05/95/70/1431059570.db2.gz PWUFLLAIQQRQLO-UHFFFAOYSA-N 0 1 387.263 3.156 20 0 GGADMN C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(Br)cc1[O-] ZINC000185100392 1431061263 /nfs/dbraw/zinc/06/12/63/1431061263.db2.gz LEIXZOCLTMEXBV-LLVKDONJSA-N 0 1 381.245 3.374 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000185122054 1431065704 /nfs/dbraw/zinc/06/57/04/1431065704.db2.gz MKBVPBLCCLSDIZ-MYGLTJDJSA-N 0 1 385.529 3.328 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000185122073 1431065869 /nfs/dbraw/zinc/06/58/69/1431065869.db2.gz MKBVPBLCCLSDIZ-CIAFKFPVSA-N 0 1 385.529 3.328 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)COc2ccc(F)cc2F)cc1 ZINC000185125782 1431066747 /nfs/dbraw/zinc/06/67/47/1431066747.db2.gz YLKBXUVVTLDAHE-LSDHHAIUSA-N 0 1 383.460 3.493 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185125604 1431066932 /nfs/dbraw/zinc/06/69/32/1431066932.db2.gz IGAZOXATURNZJL-SFHVURJKSA-N 0 1 383.496 3.020 20 0 GGADMN COc1ccc2oc(CN[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)cc2c1 ZINC000185160663 1431074701 /nfs/dbraw/zinc/07/47/01/1431074701.db2.gz RKIDCKAGNONZNC-NRFANRHFSA-N 0 1 394.471 3.001 20 0 GGADMN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000185163322 1431075545 /nfs/dbraw/zinc/07/55/45/1431075545.db2.gz PUINBZGOYFUPMP-HOCLYGCPSA-N 0 1 389.431 3.261 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)nc1C ZINC000185166484 1431076245 /nfs/dbraw/zinc/07/62/45/1431076245.db2.gz MUNZFVYGPCDFJL-UHFFFAOYSA-N 0 1 395.507 3.469 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NCC1(c2ccc(F)cc2)CC1 ZINC000185174280 1431077600 /nfs/dbraw/zinc/07/76/00/1431077600.db2.gz ZZSDEZFRZKIZPK-UHFFFAOYSA-N 0 1 395.438 3.054 20 0 GGADMN O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185175124 1431077724 /nfs/dbraw/zinc/07/77/24/1431077724.db2.gz SBDNLHDHCRPHOZ-UHFFFAOYSA-N 0 1 390.390 3.024 20 0 GGADMN CC(C)(C)C(=O)N1CCC(CN2CCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000185177606 1431077875 /nfs/dbraw/zinc/07/78/75/1431077875.db2.gz VKSGYSWOEVRCRG-UHFFFAOYSA-N 0 1 391.600 3.386 20 0 GGADMN Cc1cc(C)c(CCNC(=O)NCc2n[nH]c(COc3ccccc3)n2)c(C)c1 ZINC000185187726 1431080310 /nfs/dbraw/zinc/08/03/10/1431080310.db2.gz ONSYOBLJRHRMAA-UHFFFAOYSA-N 0 1 393.491 3.351 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185187762 1431080522 /nfs/dbraw/zinc/08/05/22/1431080522.db2.gz CIQJXUAYLUXTSN-CQSZACIVSA-N 0 1 385.430 3.060 20 0 GGADMN Cc1ccccc1C[C@@H](C)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185189119 1431080845 /nfs/dbraw/zinc/08/08/45/1431080845.db2.gz LBNGRCUBNLZBKY-MRXNPFEDSA-N 0 1 379.464 3.123 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1nc2ccccc2s1)C1CC1 ZINC000185205754 1431084654 /nfs/dbraw/zinc/08/46/54/1431084654.db2.gz WRYAGVWWJDFINY-AWEZNQCLSA-N 0 1 390.509 3.128 20 0 GGADMN C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2)CC1 ZINC000185207687 1431085254 /nfs/dbraw/zinc/08/52/54/1431085254.db2.gz DSCUNOBXKUHMJG-UHFFFAOYSA-N 0 1 379.382 3.204 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1nc(-c2cccnc2)no1 ZINC000185210364 1431085820 /nfs/dbraw/zinc/08/58/20/1431085820.db2.gz UHVYQUIWWCALCM-MRXNPFEDSA-N 0 1 389.419 3.044 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1cc(Cl)ccc1F)C1CC1 ZINC000185222301 1431088572 /nfs/dbraw/zinc/08/85/72/1431088572.db2.gz UDGWYIGYMGZPQP-OAHLLOKOSA-N 0 1 385.867 3.311 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1cc(Cl)ccc1F)C1CC1 ZINC000185222282 1431088620 /nfs/dbraw/zinc/08/86/20/1431088620.db2.gz UDGWYIGYMGZPQP-HNNXBMFYSA-N 0 1 385.867 3.311 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C(C)(C)O)N2CCCCC2)cc1 ZINC000185226234 1431089266 /nfs/dbraw/zinc/08/92/66/1431089266.db2.gz BJKHXQZMPORMDZ-VQTJNVASSA-N 0 1 389.540 3.167 20 0 GGADMN CCN(CC)[C@H](CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000185228157 1431089787 /nfs/dbraw/zinc/08/97/87/1431089787.db2.gz ADEUTSKQZNUNRB-IEBWSBKVSA-N 0 1 378.538 3.423 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)N(C)C)c1 ZINC000185238143 1431091498 /nfs/dbraw/zinc/09/14/98/1431091498.db2.gz JTPGFMXPGFJMDA-DQLDELGASA-N 0 1 382.508 3.486 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3c[nH]c4cccc(F)c43)cc2)CCO1 ZINC000185251458 1431093832 /nfs/dbraw/zinc/09/38/32/1431093832.db2.gz BONVBBKYJGJUGD-ZDUSSCGKSA-N 0 1 389.452 3.333 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000185261329 1431095708 /nfs/dbraw/zinc/09/57/08/1431095708.db2.gz GOPXVCONEZKZRE-GOSISDBHSA-N 0 1 388.855 3.310 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1C(=O)N(C)C ZINC000185265628 1431096687 /nfs/dbraw/zinc/09/66/87/1431096687.db2.gz UQUYNUFTACYECC-UHFFFAOYSA-N 0 1 375.425 3.118 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCNC(=O)OC(C)(C)C)cc1 ZINC000185266730 1431096831 /nfs/dbraw/zinc/09/68/31/1431096831.db2.gz SMBOINNMZWKSTI-MSOLQXFVSA-N 0 1 396.553 3.194 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCNC(=O)OC(C)(C)C)cc1 ZINC000185266697 1431096988 /nfs/dbraw/zinc/09/69/88/1431096988.db2.gz SMBOINNMZWKSTI-ROUUACIJSA-N 0 1 396.553 3.194 20 0 GGADMN CN(C)c1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)c2ccccc2n1 ZINC000185267957 1431097031 /nfs/dbraw/zinc/09/70/31/1431097031.db2.gz GYECZQMMLIQJFQ-UHFFFAOYSA-N 0 1 389.503 3.090 20 0 GGADMN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185276688 1431098522 /nfs/dbraw/zinc/09/85/22/1431098522.db2.gz IHFFGUAFTXLEFW-UXHICEINSA-N 0 1 375.538 3.220 20 0 GGADMN Cc1nn(C)c(C)c1CN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185276653 1431098570 /nfs/dbraw/zinc/09/85/70/1431098570.db2.gz IHFFGUAFTXLEFW-PMACEKPBSA-N 0 1 375.538 3.220 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1nc2cc(OC)ccc2n1C)c1ccco1 ZINC000185281460 1431099237 /nfs/dbraw/zinc/09/92/37/1431099237.db2.gz XXPGZNPKWSOVKX-GOSISDBHSA-N 0 1 399.495 3.057 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000185287217 1431100303 /nfs/dbraw/zinc/10/03/03/1431100303.db2.gz JZZCVXGBKFACGN-KRWDZBQOSA-N 0 1 386.814 3.478 20 0 GGADMN C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cc(F)c(F)c(F)c1 ZINC000185290540 1431100479 /nfs/dbraw/zinc/10/04/79/1431100479.db2.gz KYOZITXNDSTEGI-LBPRGKRZSA-N 0 1 384.423 3.495 20 0 GGADMN C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1N(C)C ZINC000185289824 1431100556 /nfs/dbraw/zinc/10/05/56/1431100556.db2.gz JEHZOAGGEGCHQW-OAHLLOKOSA-N 0 1 391.512 3.282 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000185288858 1431100948 /nfs/dbraw/zinc/10/09/48/1431100948.db2.gz OYXQOAAHMAECRF-HXUWFJFHSA-N 0 1 388.558 3.347 20 0 GGADMN CCc1nc2c(s1)[C@@H](NCc1cccc(N3CCCS3(=O)=O)c1)CCC2 ZINC000185291584 1431101272 /nfs/dbraw/zinc/10/12/72/1431101272.db2.gz XKVKNTRVGZBUPF-INIZCTEOSA-N 0 1 391.562 3.413 20 0 GGADMN Cc1ccc([C@H](CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)N2CCCC2)o1 ZINC000185298256 1431104013 /nfs/dbraw/zinc/10/40/13/1431104013.db2.gz VKKNZCMGHMNBNA-PXNSSMCTSA-N 0 1 390.549 3.485 20 0 GGADMN C#C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000185300604 1431105594 /nfs/dbraw/zinc/10/55/94/1431105594.db2.gz PFZBKJYIFUKDCR-LLVKDONJSA-N 0 1 380.828 3.031 20 0 GGADMN C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(Br)ccc1[O-] ZINC000185303483 1431106266 /nfs/dbraw/zinc/10/62/66/1431106266.db2.gz BMMJKMROLWKDDP-GFCCVEGCSA-N 0 1 393.281 3.331 20 0 GGADMN CC(C)(CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1F ZINC000185311697 1431109569 /nfs/dbraw/zinc/10/95/69/1431109569.db2.gz OJXYTJMUYCFFHP-UHFFFAOYSA-N 0 1 397.454 3.300 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc3c(c2)OCCCO3)cc1 ZINC000185323413 1431114766 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CC[C@H]1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)CCN1Cc1ccccc1 ZINC000185334838 1431117707 /nfs/dbraw/zinc/11/77/07/1431117707.db2.gz HKWNAQFWMMQMKQ-NRFANRHFSA-N 0 1 385.552 3.004 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc12 ZINC000185339158 1431119220 /nfs/dbraw/zinc/11/92/20/1431119220.db2.gz DGDWBJUBKWSLJB-CQSZACIVSA-N 0 1 393.447 3.081 20 0 GGADMN CC(C)(CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)cc1 ZINC000185339545 1431120055 /nfs/dbraw/zinc/12/00/55/1431120055.db2.gz ZOWTWINAKPFRPS-UHFFFAOYSA-N 0 1 397.454 3.300 20 0 GGADMN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1N(C)C ZINC000185341692 1431120523 /nfs/dbraw/zinc/12/05/23/1431120523.db2.gz MIQUDFXXQXFLRU-LAUBAEHRSA-N 0 1 399.510 3.012 20 0 GGADMN COc1ccc(C)cc1[C@H](C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185345568 1431121297 /nfs/dbraw/zinc/12/12/97/1431121297.db2.gz SPZQUSBVDZPKAL-GHTZIAJQSA-N 0 1 382.504 3.124 20 0 GGADMN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2n1 ZINC000185348343 1431122262 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3.269 20 0 GGADMN CN(CC1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1)C(=O)OC(C)(C)C ZINC000185369028 1431127437 /nfs/dbraw/zinc/12/74/37/1431127437.db2.gz FMLFFNLYJOGOKU-UHFFFAOYSA-N 0 1 399.495 3.191 20 0 GGADMN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc(CN3CCN(C)CC3)c1)CO2 ZINC000185371399 1431128479 /nfs/dbraw/zinc/12/84/79/1431128479.db2.gz HBQUIOIPDBZROI-NRFANRHFSA-N 0 1 379.504 3.166 20 0 GGADMN Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc(CN3CCN(C)CC3)c1)CO2 ZINC000185371417 1431128587 /nfs/dbraw/zinc/12/85/87/1431128587.db2.gz HBQUIOIPDBZROI-OAQYLSRUSA-N 0 1 379.504 3.166 20 0 GGADMN CO[C@H](C)CCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379366 1431130030 /nfs/dbraw/zinc/13/00/30/1431130030.db2.gz FYAVTXCXHUVQEZ-LLVKDONJSA-N 0 1 382.258 3.016 20 0 GGADMN CO[C@H](C)CCC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185379366 1431130035 /nfs/dbraw/zinc/13/00/35/1431130035.db2.gz FYAVTXCXHUVQEZ-LLVKDONJSA-N 0 1 382.258 3.016 20 0 GGADMN CS[C@@H](C)CC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379896 1431130615 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COCCC1(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)CC1 ZINC000185380043 1431130820 /nfs/dbraw/zinc/13/08/20/1431130820.db2.gz YZJAKXONBFFXGD-UHFFFAOYSA-N 0 1 394.269 3.018 20 0 GGADMN C[C@H](OCC1CC1)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185380761 1431131194 /nfs/dbraw/zinc/13/11/94/1431131194.db2.gz AMDAJWNPQPGMEO-NSHDSACASA-N 0 1 394.269 3.016 20 0 GGADMN C[C@H](OCC1CC1)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185380761 1431131202 /nfs/dbraw/zinc/13/12/02/1431131202.db2.gz AMDAJWNPQPGMEO-NSHDSACASA-N 0 1 394.269 3.016 20 0 GGADMN CCCSCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185383310 1431131603 /nfs/dbraw/zinc/13/16/03/1431131603.db2.gz DEHLRBRPEYYLKL-UHFFFAOYSA-N 0 1 384.299 3.344 20 0 GGADMN CCCSCC(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185383310 1431131607 /nfs/dbraw/zinc/13/16/07/1431131607.db2.gz DEHLRBRPEYYLKL-UHFFFAOYSA-N 0 1 384.299 3.344 20 0 GGADMN CC(Cl)(Cl)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185382753 1431131627 /nfs/dbraw/zinc/13/16/27/1431131627.db2.gz QFWALKDJLASQJN-UHFFFAOYSA-N 0 1 393.068 3.395 20 0 GGADMN CC(Cl)(Cl)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185382753 1431131630 /nfs/dbraw/zinc/13/16/30/1431131630.db2.gz QFWALKDJLASQJN-UHFFFAOYSA-N 0 1 393.068 3.395 20 0 GGADMN Cc1oc2ccccc2c1CNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000185382848 1431131655 /nfs/dbraw/zinc/13/16/55/1431131655.db2.gz MFXMIFIEGGMJCT-UHFFFAOYSA-N 0 1 380.448 3.223 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000185383050 1431131767 /nfs/dbraw/zinc/13/17/67/1431131767.db2.gz ZTEAWPAAQTUAFX-QHCPKHFHSA-N 0 1 394.519 3.476 20 0 GGADMN O=C(C[C@H]1CCCCO1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185383563 1431132362 /nfs/dbraw/zinc/13/23/62/1431132362.db2.gz ACPZMOJSLNGAOS-CYBMUJFWSA-N 0 1 394.269 3.160 20 0 GGADMN O=C(C[C@H]1CCCCO1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185383563 1431132364 /nfs/dbraw/zinc/13/23/64/1431132364.db2.gz ACPZMOJSLNGAOS-CYBMUJFWSA-N 0 1 394.269 3.160 20 0 GGADMN CC(C)(CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)Cc1ccccc1 ZINC000185406497 1431138141 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383.467 3.295 20 0 GGADMN COCCn1c2ccccc2nc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000185431452 1431144107 /nfs/dbraw/zinc/14/41/07/1431144107.db2.gz CRSSHSBKTVVVLF-UHFFFAOYSA-N 0 1 391.431 3.334 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H](O)c2ccc(OC(C)C)cc2)cc1 ZINC000185470678 1431152479 /nfs/dbraw/zinc/15/24/79/1431152479.db2.gz WTUKYBQBOCNPSP-DYESRHJHSA-N 0 1 391.533 3.268 20 0 GGADMN COc1ccc(COC[C@H](O)CN2CCN([C@H](C)c3ccsc3)CC2)cc1 ZINC000185471239 1431152575 /nfs/dbraw/zinc/15/25/75/1431152575.db2.gz FIWMDYKRPNBTIJ-YLJYHZDGSA-N 0 1 390.549 3.013 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nc2ccccn2n1)c1cccc(C(F)(F)F)c1 ZINC000185477327 1431153921 /nfs/dbraw/zinc/15/39/21/1431153921.db2.gz XTECFMSKKXMVDV-AWEZNQCLSA-N 0 1 392.385 3.173 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(-c4cncnc4)cc3F)cc2)CC1 ZINC000185488614 1431156063 /nfs/dbraw/zinc/15/60/63/1431156063.db2.gz NERRUMYCXUJPAK-UHFFFAOYSA-N 0 1 391.450 3.287 20 0 GGADMN C[C@H](c1ccccc1)[C@H](C)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185500013 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1 396.553 3.050 20 0 GGADMN COc1ccc(-c2noc(CN[C@H](C)[C@H]3COc4ccccc43)n2)c(OC)c1 ZINC000185559445 1431171023 /nfs/dbraw/zinc/17/10/23/1431171023.db2.gz USUKCEORGMPAPO-CXAGYDPISA-N 0 1 381.432 3.408 20 0 GGADMN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185574863 1431173841 /nfs/dbraw/zinc/17/38/41/1431173841.db2.gz OJHYLDNCCZRKTI-UHFFFAOYSA-N 0 1 387.484 3.285 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NCC1(Cc2ccccc2)CC1 ZINC000185578589 1431174707 /nfs/dbraw/zinc/17/47/07/1431174707.db2.gz IXCUOSSBCSUNAQ-UHFFFAOYSA-N 0 1 391.475 3.206 20 0 GGADMN CCc1noc2ncc(S(=O)(=O)Nc3cccc(NC(=O)C(C)C)c3)cc12 ZINC000185580343 1431175590 /nfs/dbraw/zinc/17/55/90/1431175590.db2.gz OWABRUQZEOFGTM-UHFFFAOYSA-N 0 1 388.449 3.181 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000185591504 1431178475 /nfs/dbraw/zinc/17/84/75/1431178475.db2.gz YXNPCJJVWQTFRW-CQSZACIVSA-N 0 1 385.411 3.125 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000185592120 1431178505 /nfs/dbraw/zinc/17/85/05/1431178505.db2.gz FLJLWBCLDHTPLB-MRXNPFEDSA-N 0 1 397.372 3.202 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000185591829 1431178625 /nfs/dbraw/zinc/17/86/25/1431178625.db2.gz VYYJRTGEBHVCKL-MRXNPFEDSA-N 0 1 397.372 3.202 20 0 GGADMN COc1cccc(NC(=O)CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000185620979 1431186387 /nfs/dbraw/zinc/18/63/87/1431186387.db2.gz LZYXCJKLOJJRHJ-LLVKDONJSA-N 0 1 384.402 3.360 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)cc12 ZINC000185625768 1431187875 /nfs/dbraw/zinc/18/78/75/1431187875.db2.gz AGTIXLFGPOXNSM-MGPUTAFESA-N 0 1 391.471 3.316 20 0 GGADMN O=C1CCCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000185626571 1431188155 /nfs/dbraw/zinc/18/81/55/1431188155.db2.gz WTDRCPHSHSKUPW-UHFFFAOYSA-N 0 1 392.864 3.180 20 0 GGADMN COc1ccccc1NC(=O)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185630185 1431188622 /nfs/dbraw/zinc/18/86/22/1431188622.db2.gz PSIDKRUSOUTKPL-LLVKDONJSA-N 0 1 384.402 3.360 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)NCc1ccc(F)cc1 ZINC000185635038 1431190254 /nfs/dbraw/zinc/19/02/54/1431190254.db2.gz KAHCWCNUXUWJAL-LLVKDONJSA-N 0 1 386.393 3.168 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)NCc1ccc(F)cc1 ZINC000185635056 1431190316 /nfs/dbraw/zinc/19/03/16/1431190316.db2.gz KAHCWCNUXUWJAL-NSHDSACASA-N 0 1 386.393 3.168 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)NCCc1ccccc1C ZINC000185636340 1431190723 /nfs/dbraw/zinc/19/07/23/1431190723.db2.gz DYCXXXDERWNELD-AWEZNQCLSA-N 0 1 396.457 3.380 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185640325 1431192299 /nfs/dbraw/zinc/19/22/99/1431192299.db2.gz PUDQENKHWRUOHL-LBPRGKRZSA-N 0 1 398.429 3.038 20 0 GGADMN CC[C@H]1[C@H](C)CCN1Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000185642727 1431192920 /nfs/dbraw/zinc/19/29/20/1431192920.db2.gz CRLVIAIHHQTUQI-KDOFPFPSSA-N 0 1 378.542 3.214 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000185644867 1431193643 /nfs/dbraw/zinc/19/36/43/1431193643.db2.gz IHXVMHOASGPINQ-CQSZACIVSA-N 0 1 390.867 3.490 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000185645100 1431194090 /nfs/dbraw/zinc/19/40/90/1431194090.db2.gz UHBGDPOEMDLFBY-AWEZNQCLSA-N 0 1 390.867 3.490 20 0 GGADMN Cc1ccsc1CNC(=O)CN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185651751 1431196369 /nfs/dbraw/zinc/19/63/69/1431196369.db2.gz XUDYKEDHGNCVSV-LLVKDONJSA-N 0 1 388.459 3.399 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)NCc1cccs1 ZINC000185653847 1431196809 /nfs/dbraw/zinc/19/68/09/1431196809.db2.gz FENNRJRNTKCYRP-PWSUYJOCSA-N 0 1 388.459 3.479 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)Nc1ccc(Cl)cn1 ZINC000185656583 1431197522 /nfs/dbraw/zinc/19/75/22/1431197522.db2.gz FQSCGFIMDNGGPZ-SECBINFHSA-N 0 1 389.809 3.400 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000185660359 1431198705 /nfs/dbraw/zinc/19/87/05/1431198705.db2.gz XSBFABRWUTXJMJ-QWHCGFSZSA-N 0 1 392.402 3.194 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000185660423 1431198835 /nfs/dbraw/zinc/19/88/35/1431198835.db2.gz CHEQHIKVTVKYAP-OLZOCXBDSA-N 0 1 392.402 3.194 20 0 GGADMN CCOc1cc(NC2CCN(Cc3cc(Cl)cc(OC)c3O)CC2)ncn1 ZINC000185663799 1431199621 /nfs/dbraw/zinc/19/96/21/1431199621.db2.gz QQWFLBXGRDDXCK-UHFFFAOYSA-N 0 1 392.887 3.319 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000185665127 1431200246 /nfs/dbraw/zinc/20/02/46/1431200246.db2.gz KBGNYUPJXUUGAI-STQMWFEESA-N 0 1 392.402 3.194 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)N2c3ccccc3CC[C@H]2C)cc1 ZINC000185666387 1431200749 /nfs/dbraw/zinc/20/07/49/1431200749.db2.gz UIGOKPWAPQZAEF-SJORKVTESA-N 0 1 396.487 3.257 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1 ZINC000185681194 1431204382 /nfs/dbraw/zinc/20/43/82/1431204382.db2.gz CUDLJJVZLJTWIV-QWHCGFSZSA-N 0 1 392.402 3.194 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000185686781 1431206146 /nfs/dbraw/zinc/20/61/46/1431206146.db2.gz JBYMSOSJSYSNPQ-QGZVFWFLSA-N 0 1 384.476 3.453 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCN([C@H](C)c2nccs2)CC1)c1ccccc1 ZINC000185687145 1431206159 /nfs/dbraw/zinc/20/61/59/1431206159.db2.gz BYQMUFUTBULIMV-MJGOQNOKSA-N 0 1 386.565 3.431 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000185694677 1431208164 /nfs/dbraw/zinc/20/81/64/1431208164.db2.gz WYCCIJXDRWCZAV-AZUAARDMSA-N 0 1 398.576 3.403 20 0 GGADMN CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(O)cccc3F)n2)o1 ZINC000185706909 1431211438 /nfs/dbraw/zinc/21/14/38/1431211438.db2.gz YBNANWIIKWNGBF-UHFFFAOYSA-N 0 1 375.381 3.136 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000185725539 1431216373 /nfs/dbraw/zinc/21/63/73/1431216373.db2.gz NEHTZZLGZUHQMS-UHFFFAOYSA-N 0 1 382.829 3.026 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccc(F)cc1 ZINC000185730519 1431218141 /nfs/dbraw/zinc/21/81/41/1431218141.db2.gz BPEOLZLEJUHWKA-IFMALSPDSA-N 0 1 383.467 3.269 20 0 GGADMN CC1(C)[C@@H](NCc2cn(Cc3cccnc3)nn2)C[C@@H]1OCc1ccccc1 ZINC000185736061 1431219083 /nfs/dbraw/zinc/21/90/83/1431219083.db2.gz PRBQIRJPPYIGMS-SFTDATJTSA-N 0 1 377.492 3.195 20 0 GGADMN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185757676 1431227000 /nfs/dbraw/zinc/22/70/00/1431227000.db2.gz SCHHABKSKFAIAR-SFHVURJKSA-N 0 1 379.439 3.318 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN([C@H](C)c4nccs4)CC3)n[nH]2)cc1 ZINC000185759810 1431227418 /nfs/dbraw/zinc/22/74/18/1431227418.db2.gz AAJBQMPQRMSBFE-CQSZACIVSA-N 0 1 397.504 3.061 20 0 GGADMN O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccc2c1O ZINC000185763806 1431228052 /nfs/dbraw/zinc/22/80/52/1431228052.db2.gz LOFCNFVHBDECAY-HXUWFJFHSA-N 0 1 385.423 3.054 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cn(C)c2ccccc12 ZINC000185765729 1431228887 /nfs/dbraw/zinc/22/88/87/1431228887.db2.gz VPPXAIDWAUCHGX-IHPCNDPISA-N 0 1 391.515 3.033 20 0 GGADMN C[C@H](C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cn(C)c2ccccc12 ZINC000185765763 1431229326 /nfs/dbraw/zinc/22/93/26/1431229326.db2.gz VPPXAIDWAUCHGX-SXLOBPIMSA-N 0 1 391.515 3.033 20 0 GGADMN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2c(O)cccc2F)c1 ZINC000185774289 1431231797 /nfs/dbraw/zinc/23/17/97/1431231797.db2.gz MCFXJTYDGMMKNK-GFCCVEGCSA-N 0 1 380.441 3.002 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000185774783 1431232016 /nfs/dbraw/zinc/23/20/16/1431232016.db2.gz KLUSGWWWEIEPCJ-AWEZNQCLSA-N 0 1 393.285 3.160 20 0 GGADMN COCc1c(C(=O)NCCN(C)Cc2ccc(F)cc2)cnn1-c1ccccc1 ZINC000185776567 1431232189 /nfs/dbraw/zinc/23/21/89/1431232189.db2.gz JWDTYWYSEDGGDA-UHFFFAOYSA-N 0 1 396.466 3.020 20 0 GGADMN Cn1nc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC(F)F ZINC000185778022 1431233130 /nfs/dbraw/zinc/23/31/30/1431233130.db2.gz NRIDJKVTDRRZKD-UHFFFAOYSA-N 0 1 390.394 3.356 20 0 GGADMN CCOC(=O)N1CC[C@H](NCc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1 ZINC000185779796 1431233596 /nfs/dbraw/zinc/23/35/96/1431233596.db2.gz ANQNPPSRRWCMCD-AWEZNQCLSA-N 0 1 380.851 3.294 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000185785506 1431235499 /nfs/dbraw/zinc/23/54/99/1431235499.db2.gz XWUGHZNWZPGJAA-IBGZPJMESA-N 0 1 380.423 3.197 20 0 GGADMN Cc1nnc(SCC(=O)NCc2ccc(OCc3ccccc3F)cc2)[nH]1 ZINC000185790275 1431236869 /nfs/dbraw/zinc/23/68/69/1431236869.db2.gz FYBDYZNCZWGLJK-UHFFFAOYSA-N 0 1 386.452 3.240 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCc2ccc(OCc3ccccc3F)cc2)n1 ZINC000185790275 1431236871 /nfs/dbraw/zinc/23/68/71/1431236871.db2.gz FYBDYZNCZWGLJK-UHFFFAOYSA-N 0 1 386.452 3.240 20 0 GGADMN CN(CCNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)Cc1ccc(F)cc1 ZINC000185793342 1431237762 /nfs/dbraw/zinc/23/77/62/1431237762.db2.gz VBFBFIZHRXWIKP-QFIPXVFZSA-N 0 1 383.467 3.099 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000185799847 1431238904 /nfs/dbraw/zinc/23/89/04/1431238904.db2.gz QYYWJPVYNRJITR-SFTDATJTSA-N 0 1 383.488 3.474 20 0 GGADMN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(-c3nnc[nH]3)cc2)o1 ZINC000185799360 1431239105 /nfs/dbraw/zinc/23/91/05/1431239105.db2.gz UZAPLJVSMCCZSY-GOSISDBHSA-N 0 1 386.415 3.103 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000185806608 1431241196 /nfs/dbraw/zinc/24/11/96/1431241196.db2.gz KVLCQKDRQOKFNY-QGZVFWFLSA-N 0 1 378.407 3.346 20 0 GGADMN COCC1=CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000185823771 1431244501 /nfs/dbraw/zinc/24/45/01/1431244501.db2.gz GPLPHYCVRCIHDG-KRWDZBQOSA-N 0 1 385.430 3.296 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3C[C@H]4CCC(=O)c5cccc3c54)cc2)CC1 ZINC000185824124 1431244680 /nfs/dbraw/zinc/24/46/80/1431244680.db2.gz AIISAIJSMKYRGE-LJQANCHMSA-N 0 1 389.499 3.155 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NCC1(Cc2ccccc2)CCCCC1 ZINC000185827094 1431245287 /nfs/dbraw/zinc/24/52/87/1431245287.db2.gz JAGXSHXYXHUCQC-FQEVSTJZSA-N 0 1 386.584 3.115 20 0 GGADMN COc1cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OC(C)C ZINC000185829520 1431245722 /nfs/dbraw/zinc/24/57/22/1431245722.db2.gz COQPJMRHXDSZQS-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000185831058 1431246131 /nfs/dbraw/zinc/24/61/31/1431246131.db2.gz DXWGUGPCIBVUQR-UHFFFAOYSA-N 0 1 399.476 3.266 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000185838542 1431247765 /nfs/dbraw/zinc/24/77/65/1431247765.db2.gz SJONJJUFDOPTPQ-KRWDZBQOSA-N 0 1 399.516 3.254 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000185838518 1431247971 /nfs/dbraw/zinc/24/79/71/1431247971.db2.gz SJONJJUFDOPTPQ-QGZVFWFLSA-N 0 1 399.516 3.254 20 0 GGADMN Cc1ccccc1C(NCC(=O)NCCCN1CCCC1=O)c1ccccc1C ZINC000185857064 1431253550 /nfs/dbraw/zinc/25/35/50/1431253550.db2.gz QZRTWFNFMIUTPK-UHFFFAOYSA-N 0 1 393.531 3.111 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000185856537 1431253588 /nfs/dbraw/zinc/25/35/88/1431253588.db2.gz ITWFEYMWSPOMKF-UHFFFAOYSA-N 0 1 382.432 3.118 20 0 GGADMN COCC1=CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000185862746 1431255476 /nfs/dbraw/zinc/25/54/76/1431255476.db2.gz ISEDVLLFGJZQTI-GOSISDBHSA-N 0 1 382.426 3.475 20 0 GGADMN CN(C(=O)NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000185875505 1431258905 /nfs/dbraw/zinc/25/89/05/1431258905.db2.gz ZONNWKFEZXDKSM-GOSISDBHSA-N 0 1 377.448 3.213 20 0 GGADMN CN(C(=O)NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000185875528 1431259241 /nfs/dbraw/zinc/25/92/41/1431259241.db2.gz ZONNWKFEZXDKSM-SFHVURJKSA-N 0 1 377.448 3.213 20 0 GGADMN COc1ccc([C@H](C)N(C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000185875894 1431259494 /nfs/dbraw/zinc/25/94/94/1431259494.db2.gz JZDPMDLMGHGKDA-HNNXBMFYSA-N 0 1 395.463 3.295 20 0 GGADMN COc1ccc([C@@H](C)N(C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000185875915 1431259698 /nfs/dbraw/zinc/25/96/98/1431259698.db2.gz JZDPMDLMGHGKDA-OAHLLOKOSA-N 0 1 395.463 3.295 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185879199 1431260731 /nfs/dbraw/zinc/26/07/31/1431260731.db2.gz SEGLSQHXOLATRP-SJORKVTESA-N 0 1 399.495 3.285 20 0 GGADMN CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1noc2ccccc21 ZINC000185881793 1431261975 /nfs/dbraw/zinc/26/19/75/1431261975.db2.gz GBOJNARQPQXHSD-SFHVURJKSA-N 0 1 399.516 3.254 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N(Cc1ccc(F)cc1)C1CC1 ZINC000185881940 1431262004 /nfs/dbraw/zinc/26/20/04/1431262004.db2.gz VTDIWKFOQMYPQU-UHFFFAOYSA-N 0 1 395.438 3.397 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185883548 1431262735 /nfs/dbraw/zinc/26/27/35/1431262735.db2.gz QZVLUBAUZUDMQD-AEFFLSMTSA-N 0 1 391.475 3.471 20 0 GGADMN CCCCNC(=O)c1ccc(CN[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000185891800 1431266275 /nfs/dbraw/zinc/26/62/75/1431266275.db2.gz YGXVNBNXNFWVLL-LJQANCHMSA-N 0 1 387.911 3.056 20 0 GGADMN CC1CCN(c2ccc(CN[C@@H](Cc3ccc(Cl)cc3)C(N)=O)cn2)CC1 ZINC000185893831 1431266937 /nfs/dbraw/zinc/26/69/37/1431266937.db2.gz LVIFKKBCCKQXJF-IBGZPJMESA-N 0 1 386.927 3.158 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000185893896 1431267296 /nfs/dbraw/zinc/26/72/96/1431267296.db2.gz BZFLTYHBPCQLTI-LJQANCHMSA-N 0 1 386.927 3.302 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@@H](c2ccccc2)C1 ZINC000185897417 1431268734 /nfs/dbraw/zinc/26/87/34/1431268734.db2.gz LKZWFRYLCZCFJW-QGZVFWFLSA-N 0 1 377.448 3.083 20 0 GGADMN CC[C@H](c1ccncc1)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185898144 1431269865 /nfs/dbraw/zinc/26/98/65/1431269865.db2.gz UHUFRGOTJNGJAK-QGZVFWFLSA-N 0 1 380.452 3.071 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@H]1c1cccs1 ZINC000185903900 1431271638 /nfs/dbraw/zinc/27/16/38/1431271638.db2.gz DDGBAJSTRBLLKH-HNNXBMFYSA-N 0 1 383.477 3.492 20 0 GGADMN COC(=O)C1(C/N=C/c2cc(Br)cc(Br)c2O)CC1 ZINC000185918092 1431278796 /nfs/dbraw/zinc/27/87/96/1431278796.db2.gz QMCXSACXNRPUBY-OMCISZLKSA-N 0 1 391.059 3.289 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000185938690 1431286901 /nfs/dbraw/zinc/28/69/01/1431286901.db2.gz UIFRZUQPJONGPT-QZTJIDSGSA-N 0 1 391.581 3.370 20 0 GGADMN Cc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c(O[C@H]2CCOC2)c1 ZINC000185948444 1431291161 /nfs/dbraw/zinc/29/11/61/1431291161.db2.gz BZKFLOARNQJWSC-OALUTQOASA-N 0 1 388.895 3.002 20 0 GGADMN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc1 ZINC000185953401 1431293947 /nfs/dbraw/zinc/29/39/47/1431293947.db2.gz YNRLZLVQQGTFTR-GFCCVEGCSA-N 0 1 393.281 3.244 20 0 GGADMN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000185954893 1431294501 /nfs/dbraw/zinc/29/45/01/1431294501.db2.gz UZWJVELEBXQGSF-UHFFFAOYSA-N 0 1 399.341 3.192 20 0 GGADMN CC(C)(C)OCc1cc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)no1 ZINC000185958568 1431296214 /nfs/dbraw/zinc/29/62/14/1431296214.db2.gz JBYOOWRJDRDYDH-KRWDZBQOSA-N 0 1 390.484 3.219 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3cccc(-c4cc[nH]n4)c3)n2)cc1 ZINC000185973095 1431302381 /nfs/dbraw/zinc/30/23/81/1431302381.db2.gz ZVKLZFIRHCLRGY-UHFFFAOYSA-N 0 1 389.419 3.192 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Nc3cccc(-c4cc[nH]n4)c3)n[nH]2)cc1 ZINC000185973095 1431302384 /nfs/dbraw/zinc/30/23/84/1431302384.db2.gz ZVKLZFIRHCLRGY-UHFFFAOYSA-N 0 1 389.419 3.192 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(-c4nnc[nH]4)cc3)ccc2NC1=O ZINC000185990794 1431306360 /nfs/dbraw/zinc/30/63/60/1431306360.db2.gz ZMDRVPXCTVGJFE-SJKOYZFVSA-N 0 1 391.431 3.072 20 0 GGADMN COC(=O)CC[C@@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000185999632 1431308028 /nfs/dbraw/zinc/30/80/28/1431308028.db2.gz XFLCTPSHCYVLAR-FXAWDEMLSA-N 0 1 389.517 3.441 20 0 GGADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000186015675 1431312136 /nfs/dbraw/zinc/31/21/36/1431312136.db2.gz QFUKVDGDUSAMBZ-YOEHRIQHSA-N 0 1 399.495 3.237 20 0 GGADMN COC(=O)c1ccc2c(c1)nc(CN1CCC[C@]1(C)Cc1ccccc1)[nH]c2=O ZINC000186048968 1431319633 /nfs/dbraw/zinc/31/96/33/1431319633.db2.gz KUCFHYWWRKNWHA-HSZRJFAPSA-N 0 1 391.471 3.307 20 0 GGADMN O=C(NCc1nccn1CCCc1ccccc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186049541 1431319742 /nfs/dbraw/zinc/31/97/42/1431319742.db2.gz VNLYGGFBOQITOY-UHFFFAOYSA-N 0 1 386.459 3.231 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000186050894 1431320136 /nfs/dbraw/zinc/32/01/36/1431320136.db2.gz SMQPSKYNVGTYHE-IBGZPJMESA-N 0 1 388.427 3.441 20 0 GGADMN Cc1ccc(SC[C@H](C)NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000186062250 1431322595 /nfs/dbraw/zinc/32/25/95/1431322595.db2.gz SKFPLXYMJRPXHV-SFHVURJKSA-N 0 1 391.581 3.229 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186082900 1431326784 /nfs/dbraw/zinc/32/67/84/1431326784.db2.gz JXMYOBXOJVHTPD-INIZCTEOSA-N 0 1 387.484 3.285 20 0 GGADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(COC)c1 ZINC000186099689 1431329976 /nfs/dbraw/zinc/32/99/76/1431329976.db2.gz QTSYRALDFXWHEI-HXUWFJFHSA-N 0 1 388.533 3.118 20 0 GGADMN C[C@H](Cc1noc(Cc2[nH]nc3c2CCCC3)n1)N(C)C(=O)OC(C)(C)C ZINC000186109213 1431331943 /nfs/dbraw/zinc/33/19/43/1431331943.db2.gz DIUPWCJDKYVYKV-GFCCVEGCSA-N 0 1 375.473 3.060 20 0 GGADMN CCC(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000186121747 1431334809 /nfs/dbraw/zinc/33/48/09/1431334809.db2.gz HCEQSECTDGHWIK-WBVHZDCISA-N 0 1 399.457 3.073 20 0 GGADMN CC(C)NC(=O)CCCC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186125213 1431335514 /nfs/dbraw/zinc/33/55/14/1431335514.db2.gz POVPCHUOAVFONQ-INIZCTEOSA-N 0 1 387.446 3.119 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC000186124517 1431335909 /nfs/dbraw/zinc/33/59/09/1431335909.db2.gz KVQFZRGAYKAWPW-AEFFLSMTSA-N 0 1 378.394 3.428 20 0 GGADMN CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186126839 1431336275 /nfs/dbraw/zinc/33/62/75/1431336275.db2.gz UCCOIRWLUFSJFC-IAGOWNOFSA-N 0 1 399.457 3.215 20 0 GGADMN CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186126804 1431336431 /nfs/dbraw/zinc/33/64/31/1431336431.db2.gz UCCOIRWLUFSJFC-SJORKVTESA-N 0 1 399.457 3.215 20 0 GGADMN Cc1[nH]nc2ncc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)cc12 ZINC000186126550 1431336487 /nfs/dbraw/zinc/33/64/87/1431336487.db2.gz MDFLFABUKVENNK-INIZCTEOSA-N 0 1 391.397 3.318 20 0 GGADMN CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186131596 1431337670 /nfs/dbraw/zinc/33/76/70/1431337670.db2.gz GRTXCMIPSYAMJR-IAGOWNOFSA-N 0 1 399.457 3.215 20 0 GGADMN COC(=O)CC(C)(C)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000186132111 1431337880 /nfs/dbraw/zinc/33/78/80/1431337880.db2.gz ZMTRGFMKAGUMNP-OAHLLOKOSA-N 0 1 388.430 3.404 20 0 GGADMN Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000186132134 1431337939 /nfs/dbraw/zinc/33/79/39/1431337939.db2.gz WOOSXOAIFRJZGV-UHFFFAOYSA-N 0 1 375.432 3.353 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCOC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000186134290 1431338057 /nfs/dbraw/zinc/33/80/57/1431338057.db2.gz QMFZUNDYGIIHFB-KRWDZBQOSA-N 0 1 388.430 3.010 20 0 GGADMN COc1ccsc1[C@H](C)NCc1ccccc1OCCN1CCOCC1 ZINC000186133569 1431338278 /nfs/dbraw/zinc/33/82/78/1431338278.db2.gz ARLAHAAMTSJOGJ-INIZCTEOSA-N 0 1 376.522 3.319 20 0 GGADMN C[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1(c2ccccc2)CCCC1 ZINC000186150031 1431341745 /nfs/dbraw/zinc/34/17/45/1431341745.db2.gz PYLLIVJUCKHVII-PMACEKPBSA-N 0 1 385.552 3.251 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H](C)C3(c4ccccc4)CCCC3)C2)CC1 ZINC000186149312 1431341769 /nfs/dbraw/zinc/34/17/69/1431341769.db2.gz WXMHLLAFGOLLSB-IRLDBZIGSA-N 0 1 398.595 3.308 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCc2nnc(-c3ccccc3)o2)cc1 ZINC000186149196 1431341785 /nfs/dbraw/zinc/34/17/85/1431341785.db2.gz XSCIWLRLDYGTRV-MRXNPFEDSA-N 0 1 385.489 3.040 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1)N1CCCCCC1 ZINC000186172016 1431346155 /nfs/dbraw/zinc/34/61/55/1431346155.db2.gz ZUSRQJJGJADTIU-QGZVFWFLSA-N 0 1 396.491 3.302 20 0 GGADMN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186180892 1431347904 /nfs/dbraw/zinc/34/79/04/1431347904.db2.gz GFJBEFIIVYIUTO-UHFFFAOYSA-N 0 1 378.432 3.067 20 0 GGADMN CCOC(=O)c1nn(C)cc1CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000186192186 1431349990 /nfs/dbraw/zinc/34/99/90/1431349990.db2.gz ZNDMJXJMJLQHIS-UHFFFAOYSA-N 0 1 381.480 3.052 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000186196701 1431350437 /nfs/dbraw/zinc/35/04/37/1431350437.db2.gz VAEBRYSSAHNCAB-SCLBCKFNSA-N 0 1 385.888 3.273 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000186202874 1431351231 /nfs/dbraw/zinc/35/12/31/1431351231.db2.gz HLORVGHXOIWWJL-HXUWFJFHSA-N 0 1 397.544 3.441 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000186200967 1431351265 /nfs/dbraw/zinc/35/12/65/1431351265.db2.gz ZLUWYDQTVYXBHI-YJBOKZPZSA-N 0 1 396.553 3.050 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000186202696 1431351304 /nfs/dbraw/zinc/35/13/04/1431351304.db2.gz YYZBDJILKQBKGE-GOSISDBHSA-N 0 1 389.496 3.046 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000186202677 1431351410 /nfs/dbraw/zinc/35/14/10/1431351410.db2.gz YYZBDJILKQBKGE-SFHVURJKSA-N 0 1 389.496 3.046 20 0 GGADMN O=C(NNc1ccc(F)cc1Br)c1ccc(-c2nnc[nH]2)cc1 ZINC000186212309 1431353820 /nfs/dbraw/zinc/35/38/20/1431353820.db2.gz XPLYQHLXPPAJNP-UHFFFAOYSA-N 0 1 376.189 3.130 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)n[nH]1 ZINC000186213500 1431353945 /nfs/dbraw/zinc/35/39/45/1431353945.db2.gz FAKMNRHKUDTJOX-SFHVURJKSA-N 0 1 399.882 3.294 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(Cn2cncn2)CC1 ZINC000186219763 1431355520 /nfs/dbraw/zinc/35/55/20/1431355520.db2.gz QFRBSGNPLGIBHA-ZWKOTPCHSA-N 0 1 391.519 3.409 20 0 GGADMN CSCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000186220501 1431355910 /nfs/dbraw/zinc/35/59/10/1431355910.db2.gz MOZVLHUAHYPETA-LJQANCHMSA-N 0 1 397.544 3.269 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(-c2cncnc2)cc1F ZINC000186220251 1431355989 /nfs/dbraw/zinc/35/59/89/1431355989.db2.gz KBYVJMRWRNAAPI-UHFFFAOYSA-N 0 1 379.370 3.271 20 0 GGADMN Cc1oc2ccccc2c1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000186234584 1431358834 /nfs/dbraw/zinc/35/88/34/1431358834.db2.gz IMEVMELSJFFBSL-UHFFFAOYSA-N 0 1 379.441 3.207 20 0 GGADMN Cc1sc2[nH]c(CNC(C)(C)CC(N)=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000186237082 1431359195 /nfs/dbraw/zinc/35/91/95/1431359195.db2.gz STDXSKMZPUHTLX-UHFFFAOYSA-N 0 1 384.505 3.012 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000186239669 1431359623 /nfs/dbraw/zinc/35/96/23/1431359623.db2.gz NDDRDVMTJMBLQO-SFTDATJTSA-N 0 1 395.588 3.114 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000186241580 1431360360 /nfs/dbraw/zinc/36/03/60/1431360360.db2.gz QZOPQICXQFGHIX-QHCPKHFHSA-N 0 1 395.551 3.428 20 0 GGADMN COCCOc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)c(Cl)c1 ZINC000186258912 1431365005 /nfs/dbraw/zinc/36/50/05/1431365005.db2.gz YYCVFKJRCUGTQA-UHFFFAOYSA-N 0 1 388.807 3.186 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000186265652 1431365997 /nfs/dbraw/zinc/36/59/97/1431365997.db2.gz XNAIWXJJHXPVGM-QFIPXVFZSA-N 0 1 381.524 3.038 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000186265669 1431366119 /nfs/dbraw/zinc/36/61/19/1431366119.db2.gz XNAIWXJJHXPVGM-JOCHJYFZSA-N 0 1 381.524 3.038 20 0 GGADMN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC(Cn2cncn2)CC1 ZINC000186271293 1431367596 /nfs/dbraw/zinc/36/75/96/1431367596.db2.gz IIQUVUCMOAGGAK-NRFANRHFSA-N 0 1 375.476 3.370 20 0 GGADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccnc(Cl)c1 ZINC000186278624 1431370328 /nfs/dbraw/zinc/37/03/28/1431370328.db2.gz FKDLJVDTPBOESY-AWEZNQCLSA-N 0 1 379.913 3.468 20 0 GGADMN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccccc1CN1CCC(O)CC1)CO2 ZINC000186280484 1431370723 /nfs/dbraw/zinc/37/07/23/1431370723.db2.gz GCAAZVPBFGQSGS-HXUWFJFHSA-N 0 1 380.488 3.375 20 0 GGADMN COc1ccc(-c2nnc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)s2)cc1 ZINC000186280721 1431370765 /nfs/dbraw/zinc/37/07/65/1431370765.db2.gz ZQOJLXOOLYVSRN-UHFFFAOYSA-N 0 1 378.417 3.251 20 0 GGADMN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccccc1CN1CCC(O)CC1)CO2 ZINC000186280467 1431370782 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O=C(NNC(=O)c1ccc(O)c(Cl)c1)Nc1ccccc1Br ZINC000186361378 1431391765 /nfs/dbraw/zinc/39/17/65/1431391765.db2.gz DIFJPISVLNWUME-UHFFFAOYSA-N 0 1 384.617 3.275 20 0 GGADMN CCOC(=O)c1nn(C)cc1CN[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000186364613 1431392714 /nfs/dbraw/zinc/39/27/14/1431392714.db2.gz QSQQHNQYKHSAJA-HNNXBMFYSA-N 0 1 376.888 3.009 20 0 GGADMN Cc1nn(C)c(=O)c(-c2nc(CN[C@H]3CCCO[C@@H]3CC(C)C)cs2)c1C ZINC000186365630 1431393096 /nfs/dbraw/zinc/39/30/96/1431393096.db2.gz GFKHEEXVXGCRDC-DLBZAZTESA-N 0 1 390.553 3.204 20 0 GGADMN Cc1nn(C)c(=O)c(-c2nc(CN[C@@H]3CCCO[C@H]3CC(C)C)cs2)c1C ZINC000186365648 1431393245 /nfs/dbraw/zinc/39/32/45/1431393245.db2.gz GFKHEEXVXGCRDC-SJORKVTESA-N 0 1 390.553 3.204 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000186376219 1431395840 /nfs/dbraw/zinc/39/58/40/1431395840.db2.gz PGXSQDFZQMEGCY-NNVNDSJASA-N 0 1 381.538 3.069 20 0 GGADMN COc1ccc(CN2CC[C@@H](NCc3ccc4c(c3)COC(C)(C)O4)C2=O)cc1 ZINC000186386028 1431397820 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ZINC000187149471 1431631356 /nfs/dbraw/zinc/63/13/56/1431631356.db2.gz OHUIASHZOXLEFF-SNVBAGLBSA-N 0 1 386.399 3.254 20 0 GGADMN CCOCCONC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000187157838 1431633700 /nfs/dbraw/zinc/63/37/00/1431633700.db2.gz SPKMWWNHRAXGBD-UHFFFAOYSA-N 0 1 391.312 3.261 20 0 GGADMN O=C(NCCN1CCCOCC1)NCC1(Sc2ccccc2)CCCC1 ZINC000187163245 1431634724 /nfs/dbraw/zinc/63/47/24/1431634724.db2.gz YZMFKZMOTMEQFQ-UHFFFAOYSA-N 0 1 377.554 3.113 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CNCc1ccc(S(C)(=O)=O)cc1 ZINC000187164222 1431635469 /nfs/dbraw/zinc/63/54/69/1431635469.db2.gz RACBSRCPYLXAGZ-UHFFFAOYSA-N 0 1 382.485 3.451 20 0 GGADMN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1 ZINC000187166009 1431635751 /nfs/dbraw/zinc/63/57/51/1431635751.db2.gz CNFADGYQBMXFMD-UHFFFAOYSA-N 0 1 387.211 3.172 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(OC2COC2)cc1)N1CCc2ccccc2C1 ZINC000187186203 1431640268 /nfs/dbraw/zinc/64/02/68/1431640268.db2.gz XPFSYQPWHBNPAO-MRXNPFEDSA-N 0 1 381.476 3.033 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000187227811 1431656405 /nfs/dbraw/zinc/65/64/05/1431656405.db2.gz ARJBFJKRCODRBV-WMZOPIPTSA-N 0 1 397.544 3.435 20 0 GGADMN Cc1nc2c(cnn2C)c(N2CCN(C[C@H](C)c3cccc(Cl)c3)CC2)n1 ZINC000187234094 1431659314 /nfs/dbraw/zinc/65/93/14/1431659314.db2.gz WAFXVFWRKWDFSY-AWEZNQCLSA-N 0 1 384.915 3.251 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CN[C@H]1CCN(CC(F)(F)F)C1=O ZINC000187235165 1431659442 /nfs/dbraw/zinc/65/94/42/1431659442.db2.gz LPGPSVAWJANXPQ-INIZCTEOSA-N 0 1 379.382 3.010 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)NC3CCN(Cc4ccncc4)CC3)c21 ZINC000187239842 1431661005 /nfs/dbraw/zinc/66/10/05/1431661005.db2.gz VZXOJGUIJFQPMO-UHFFFAOYSA-N 0 1 392.503 3.285 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(OC(C)C)cc3Cl)C2)CC1 ZINC000187251641 1431666387 /nfs/dbraw/zinc/66/63/87/1431666387.db2.gz XCMIPTGKKZHZEY-MRXNPFEDSA-N 0 1 394.947 3.371 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000187254380 1431667773 /nfs/dbraw/zinc/66/77/73/1431667773.db2.gz PNEVBBDSQHIHPA-XJKSGUPXSA-N 0 1 397.972 3.364 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCN1CC(C)(C)O ZINC000187254173 1431667785 /nfs/dbraw/zinc/66/77/85/1431667785.db2.gz XHJSNUFFGYGTGG-CZUORRHYSA-N 0 1 397.972 3.364 20 0 GGADMN CN1C(=O)CCc2cc(CN[C@H]3CCN(c4ccc(Cl)cc4)C3=O)ccc21 ZINC000187257184 1431669350 /nfs/dbraw/zinc/66/93/50/1431669350.db2.gz OHROHROFABJEJF-SFHVURJKSA-N 0 1 383.879 3.144 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(-c3ccc(C)c(C)c3)[nH]n1)CC2 ZINC000187268449 1431674472 /nfs/dbraw/zinc/67/44/72/1431674472.db2.gz SKRFBZIYDJWYQU-UXHICEINSA-N 0 1 383.492 3.086 20 0 GGADMN CCN(CC)[C@@H](C(=O)N[C@@](C)(CC(=O)OC)c1ccncc1)c1ccccc1 ZINC000187271421 1431675919 /nfs/dbraw/zinc/67/59/19/1431675919.db2.gz WXADYJRTVDAWRI-IRLDBZIGSA-N 0 1 383.492 3.059 20 0 GGADMN CCN(CC)[C@@H](C(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccccc1 ZINC000187287380 1431682355 /nfs/dbraw/zinc/68/23/55/1431682355.db2.gz RYHNHOYFIDHIHO-WQMHRJNTSA-N 0 1 381.520 3.411 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1)c1cccc(F)c1 ZINC000187290279 1431683310 /nfs/dbraw/zinc/68/33/10/1431683310.db2.gz ONEVKUQOCVVOEN-QGZVFWFLSA-N 0 1 393.409 3.295 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1)c1cccc(F)c1 ZINC000187290263 1431683428 /nfs/dbraw/zinc/68/34/28/1431683428.db2.gz ONEVKUQOCVVOEN-KRWDZBQOSA-N 0 1 393.409 3.295 20 0 GGADMN COc1ccc2c(c1)nc(CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)n2C ZINC000187296563 1431686088 /nfs/dbraw/zinc/68/60/88/1431686088.db2.gz RLLNXHYBHGHNLC-NRFANRHFSA-N 0 1 392.503 3.253 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(OC)c1)c1ccsc1 ZINC000187305497 1431689146 /nfs/dbraw/zinc/68/91/46/1431689146.db2.gz YSTOOBNCNQGYEK-INIZCTEOSA-N 0 1 393.484 3.034 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)c3c[nH]nc3-c3ccsc3)cc21 ZINC000187304228 1431689428 /nfs/dbraw/zinc/68/94/28/1431689428.db2.gz MBPOOQXEVKIFNV-UHFFFAOYSA-N 0 1 381.461 3.483 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)n[nH]2)cc1C ZINC000187304592 1431689522 /nfs/dbraw/zinc/68/95/22/1431689522.db2.gz SHCISTPEHQRGPZ-RBUKOAKNSA-N 0 1 389.521 3.121 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)C1(C)C ZINC000187308647 1431690858 /nfs/dbraw/zinc/69/08/58/1431690858.db2.gz NHBONTCAVSDUKW-HNAYVOBHSA-N 0 1 395.475 3.483 20 0 GGADMN Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187310666 1431691347 /nfs/dbraw/zinc/69/13/47/1431691347.db2.gz GONCQYFHALDILT-SJCJKPOMSA-N 0 1 397.445 3.410 20 0 GGADMN Fc1ccccc1COc1ccc(CN2CCC(Cn3ccnn3)CC2)cn1 ZINC000187324892 1431697359 /nfs/dbraw/zinc/69/73/59/1431697359.db2.gz PTBJXEIFPGWAAN-UHFFFAOYSA-N 0 1 381.455 3.303 20 0 GGADMN C[C@@H](O)CC(C)(C)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187325004 1431697707 /nfs/dbraw/zinc/69/77/07/1431697707.db2.gz DQTLFGUQHUUIPO-CZUORRHYSA-N 0 1 389.462 3.404 20 0 GGADMN C[C@H](O)CC(C)(C)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187324948 1431697713 /nfs/dbraw/zinc/69/77/13/1431697713.db2.gz DQTLFGUQHUUIPO-BBRMVZONSA-N 0 1 389.462 3.404 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000187330999 1431698734 /nfs/dbraw/zinc/69/87/34/1431698734.db2.gz HRUPYYBJAHSIIT-KRWDZBQOSA-N 0 1 393.409 3.400 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1(C)C ZINC000187332748 1431699537 /nfs/dbraw/zinc/69/95/37/1431699537.db2.gz XEVZPNKNLRWYKT-GCJKJVERSA-N 0 1 381.476 3.410 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(C)CC1(O)CCCCCC1 ZINC000187332933 1431699981 /nfs/dbraw/zinc/69/99/81/1431699981.db2.gz OABPCJUGPSTVNJ-QGZVFWFLSA-N 0 1 387.524 3.158 20 0 GGADMN COc1cc(C)c(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000187336224 1431700793 /nfs/dbraw/zinc/70/07/93/1431700793.db2.gz LFAMKAPDTTXGCP-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN COc1cc(C)c(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000187336244 1431700918 /nfs/dbraw/zinc/70/09/18/1431700918.db2.gz LFAMKAPDTTXGCP-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CN(C)CC2(O)CCCCCC2)cc1OC ZINC000187339000 1431701793 /nfs/dbraw/zinc/70/17/93/1431701793.db2.gz XIJUUCCFNLFYFS-KRWDZBQOSA-N 0 1 392.540 3.288 20 0 GGADMN CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)cc1 ZINC000187342675 1431702807 /nfs/dbraw/zinc/70/28/07/1431702807.db2.gz GORJVURDXDOPGF-AVRDEDQJSA-N 0 1 389.540 3.420 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)C1(C)C ZINC000187345136 1431703916 /nfs/dbraw/zinc/70/39/16/1431703916.db2.gz JLIZFQZHNXNUKB-OXJNMPFZSA-N 0 1 395.931 3.293 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)C1(C)C ZINC000187345193 1431704107 /nfs/dbraw/zinc/70/41/07/1431704107.db2.gz JLIZFQZHNXNUKB-UZLBHIALSA-N 0 1 395.931 3.293 20 0 GGADMN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000187347954 1431704501 /nfs/dbraw/zinc/70/45/01/1431704501.db2.gz FOONSNWYAIVKDU-UHFFFAOYSA-N 0 1 381.354 3.121 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)CN(C)CC2(O)CCCCCC2)cc1OC ZINC000187349360 1431705341 /nfs/dbraw/zinc/70/53/41/1431705341.db2.gz IOSGXQMJODTBKY-KRWDZBQOSA-N 0 1 392.540 3.207 20 0 GGADMN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1[nH]nc2ccccc21 ZINC000187348766 1431705440 /nfs/dbraw/zinc/70/54/40/1431705440.db2.gz HQMAXJYOCSQENB-UHFFFAOYSA-N 0 1 391.349 3.397 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000187353112 1431706008 /nfs/dbraw/zinc/70/60/08/1431706008.db2.gz RSCVATQAXQIDKX-FUHWJXTLSA-N 0 1 399.457 3.363 20 0 GGADMN CCN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@H](C)Cc1ccsc1 ZINC000187366316 1431710084 /nfs/dbraw/zinc/71/00/84/1431710084.db2.gz TYYQKYVWPVHYPU-CQSZACIVSA-N 0 1 384.505 3.224 20 0 GGADMN CCN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@@H](C)Cc1ccsc1 ZINC000187366297 1431710274 /nfs/dbraw/zinc/71/02/74/1431710274.db2.gz TYYQKYVWPVHYPU-AWEZNQCLSA-N 0 1 384.505 3.224 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1(C)C ZINC000187368719 1431710749 /nfs/dbraw/zinc/71/07/49/1431710749.db2.gz WDXYOEMJBOKSNH-DNVCBOLYSA-N 0 1 377.485 3.344 20 0 GGADMN CCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)[C@H](C)Cc1ccsc1 ZINC000187369949 1431711691 /nfs/dbraw/zinc/71/16/91/1431711691.db2.gz DYXDPUHQLKSDDZ-GFCCVEGCSA-N 0 1 387.530 3.377 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)n[nH]2)cc1C ZINC000187372020 1431711776 /nfs/dbraw/zinc/71/17/76/1431711776.db2.gz YMKQDMNTGICXLX-UHFFFAOYSA-N 0 1 375.476 3.047 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cc12 ZINC000187371024 1431711836 /nfs/dbraw/zinc/71/18/36/1431711836.db2.gz KYSKWPTVBOTINC-IBGZPJMESA-N 0 1 391.471 3.461 20 0 GGADMN Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)s1 ZINC000187376193 1431713392 /nfs/dbraw/zinc/71/33/92/1431713392.db2.gz PGXDWNXVSHKECV-ROUUACIJSA-N 0 1 395.528 3.417 20 0 GGADMN O=C(N1CC[C@H](CN2CCOCC2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000187404138 1431720419 /nfs/dbraw/zinc/72/04/19/1431720419.db2.gz VPQXUOZJZOMUFB-QGZVFWFLSA-N 0 1 396.453 3.209 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1 ZINC000187406015 1431720826 /nfs/dbraw/zinc/72/08/26/1431720826.db2.gz XNQUNTMQYZLDQY-APWZRJJASA-N 0 1 375.513 3.053 20 0 GGADMN CCN(C)[C@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000187423732 1431725604 /nfs/dbraw/zinc/72/56/04/1431725604.db2.gz PDYWUURFCOWXNY-NRFANRHFSA-N 0 1 384.495 3.415 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000187426211 1431726346 /nfs/dbraw/zinc/72/63/46/1431726346.db2.gz YOKGANOFWCTCQF-UHFFFAOYSA-N 0 1 398.482 3.273 20 0 GGADMN COc1cc2c(cc1NC(=O)NCCN1CCCOCC1)oc1ccccc12 ZINC000187430799 1431727784 /nfs/dbraw/zinc/72/77/84/1431727784.db2.gz BRFWFHQJWFVLMG-UHFFFAOYSA-N 0 1 383.448 3.438 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)COC)c1ccccc1 ZINC000187447454 1431732952 /nfs/dbraw/zinc/73/29/52/1431732952.db2.gz ZNUGKCBPZWCKKK-JOCHJYFZSA-N 0 1 395.503 3.244 20 0 GGADMN C[C@H](c1cnn(C)c1)N(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187451218 1431734245 /nfs/dbraw/zinc/73/42/45/1431734245.db2.gz ZWAFGFSMPIWOPA-DYVFJYSZSA-N 0 1 397.445 3.444 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 ZINC000187451419 1431734708 /nfs/dbraw/zinc/73/47/08/1431734708.db2.gz FEESVGAFASFNNX-JQFCIGGWSA-N 0 1 387.446 3.158 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C(C)(C)O)c1cccc(C(F)(F)F)c1 ZINC000187453815 1431735480 /nfs/dbraw/zinc/73/54/80/1431735480.db2.gz DRKPPYUBTAPPJK-HZPDHXFCSA-N 0 1 387.446 3.253 20 0 GGADMN CN(C)[C@H](CNC(=O)NCC(C)(C)CCO)c1cccc(C(F)(F)F)c1 ZINC000187454370 1431735545 /nfs/dbraw/zinc/73/55/45/1431735545.db2.gz UMOBRBZRLQVDBZ-OAHLLOKOSA-N 0 1 375.435 3.016 20 0 GGADMN CCC(O)(CC)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187455138 1431736076 /nfs/dbraw/zinc/73/60/76/1431736076.db2.gz WZFZNHMGQFUODG-HNNXBMFYSA-N 0 1 375.435 3.158 20 0 GGADMN CCC[C@@](C)(CO)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187457313 1431736505 /nfs/dbraw/zinc/73/65/05/1431736505.db2.gz KRSKYPNHPUKAJH-RDJZCZTQSA-N 0 1 375.435 3.158 20 0 GGADMN CCC[C@](C)(CO)NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187457370 1431736556 /nfs/dbraw/zinc/73/65/56/1431736556.db2.gz KRSKYPNHPUKAJH-NVXWUHKLSA-N 0 1 375.435 3.158 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000187458648 1431736872 /nfs/dbraw/zinc/73/68/72/1431736872.db2.gz DUWJCPFMAHJHOL-MSOLQXFVSA-N 0 1 395.425 3.341 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000187458687 1431737137 /nfs/dbraw/zinc/73/71/37/1431737137.db2.gz DUWJCPFMAHJHOL-QZTJIDSGSA-N 0 1 395.425 3.341 20 0 GGADMN COCC1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187460095 1431737179 /nfs/dbraw/zinc/73/71/79/1431737179.db2.gz WGGYNHXIJQAXOJ-KRWDZBQOSA-N 0 1 387.446 3.376 20 0 GGADMN CC[C@@H](CCO)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187461214 1431737765 /nfs/dbraw/zinc/73/77/65/1431737765.db2.gz UKIIFDWYYVUOPO-BBRMVZONSA-N 0 1 375.435 3.016 20 0 GGADMN CC[C@H](CCO)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187461235 1431737798 /nfs/dbraw/zinc/73/77/98/1431737798.db2.gz UKIIFDWYYVUOPO-CJNGLKHVSA-N 0 1 375.435 3.016 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)C1(C)C ZINC000187462629 1431738536 /nfs/dbraw/zinc/73/85/36/1431738536.db2.gz DUGBBSBQBZEVPK-UZLBHIALSA-N 0 1 395.931 3.197 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)C1(C)C ZINC000187462681 1431738732 /nfs/dbraw/zinc/73/87/32/1431738732.db2.gz DUGBBSBQBZEVPK-OXJNMPFZSA-N 0 1 395.931 3.197 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000187465371 1431739532 /nfs/dbraw/zinc/73/95/32/1431739532.db2.gz QWDUONJWMNHIET-GJZGRUSLSA-N 0 1 382.464 3.052 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)CCCn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000187469749 1431741128 /nfs/dbraw/zinc/74/11/28/1431741128.db2.gz WRKMLNRRWAWRTK-QGZVFWFLSA-N 0 1 397.445 3.236 20 0 GGADMN CC(C)[C@@](C)(O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187471661 1431741580 /nfs/dbraw/zinc/74/15/80/1431741580.db2.gz AORXHYUMYXYWFV-WBVHZDCISA-N 0 1 375.435 3.014 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187471605 1431741610 /nfs/dbraw/zinc/74/16/10/1431741610.db2.gz AORXHYUMYXYWFV-DOTOQJQBSA-N 0 1 375.435 3.014 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCOC[C@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000187473150 1431742092 /nfs/dbraw/zinc/74/20/92/1431742092.db2.gz BUMICAUAQSKAIT-IRXDYDNUSA-N 0 1 385.430 3.129 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CCC([C@H]3CCCO3)CC2)N2CCCC2)o1 ZINC000187474609 1431742352 /nfs/dbraw/zinc/74/23/52/1431742352.db2.gz CVOCRVHAQFKKLJ-RBUKOAKNSA-N 0 1 375.513 3.326 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@](C)(O)c3ccccc3)n2)cc1 ZINC000187480572 1431744273 /nfs/dbraw/zinc/74/42/73/1431744273.db2.gz MRYFSEQOBBDYOG-NRFANRHFSA-N 0 1 396.516 3.286 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3CN3C[C@@H](C)O[C@H](C)C3)c21 ZINC000187484344 1431745794 /nfs/dbraw/zinc/74/57/94/1431745794.db2.gz XCASKMQJKNWIOM-ZHALLVOQSA-N 0 1 399.535 3.209 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](NCCN1CCCOCC1)c1ccccc1 ZINC000187484262 1431745818 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ZINC000187925787 1431827992 /nfs/dbraw/zinc/82/79/92/1431827992.db2.gz NVHDDSIFJZFQSZ-UHFFFAOYSA-N 0 1 387.455 3.249 20 0 GGADMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000187935027 1431828977 /nfs/dbraw/zinc/82/89/77/1431828977.db2.gz FBXOGTAYOJTXCA-UHFFFAOYSA-N 0 1 398.528 3.346 20 0 GGADMN CCOCCOCc1cccc(NC(=O)[C@]2(N)C[C@H](OCC)C2(C)C)c1C ZINC000187946559 1431830121 /nfs/dbraw/zinc/83/01/21/1431830121.db2.gz FXMRSUMDZKFWDV-GHTZIAJQSA-N 0 1 378.513 3.019 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1c[nH]nc1-c1ccsc1 ZINC000187962023 1431831694 /nfs/dbraw/zinc/83/16/94/1431831694.db2.gz YHYSPXLACFHJLA-UHFFFAOYSA-N 0 1 395.532 3.080 20 0 GGADMN CCCCNC(=O)C1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)CC1 ZINC000187966572 1431832208 /nfs/dbraw/zinc/83/22/08/1431832208.db2.gz CQOPZHMCEVKWIJ-UHFFFAOYSA-N 0 1 382.508 3.462 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)n(C)n1 ZINC000188003881 1431835575 /nfs/dbraw/zinc/83/55/75/1431835575.db2.gz PHTCJVOFQDWZDG-CQSZACIVSA-N 0 1 399.900 3.131 20 0 GGADMN Cc1coc2ccc(NC(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)cc12 ZINC000188002933 1431835588 /nfs/dbraw/zinc/83/55/88/1431835588.db2.gz ZHJDOOKLCFXVJG-MOPGFXCFSA-N 0 1 379.460 3.498 20 0 GGADMN Cc1coc2ccc(NC(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cc12 ZINC000188002984 1431835633 /nfs/dbraw/zinc/83/56/33/1431835633.db2.gz ZHJDOOKLCFXVJG-RTBURBONSA-N 0 1 379.460 3.498 20 0 GGADMN Cc1coc2ccc(NC(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cc12 ZINC000188002956 1431835643 /nfs/dbraw/zinc/83/56/43/1431835643.db2.gz ZHJDOOKLCFXVJG-RBUKOAKNSA-N 0 1 379.460 3.498 20 0 GGADMN CC(C)n1nccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000188006287 1431835912 /nfs/dbraw/zinc/83/59/12/1431835912.db2.gz YLQZRLRRMWZXEH-ZDUSSCGKSA-N 0 1 399.900 3.334 20 0 GGADMN COc1ccc(CCN(CC(C)C)C(=O)c2cccc3nn[nH]c32)cc1OC ZINC000188020031 1431837140 /nfs/dbraw/zinc/83/71/40/1431837140.db2.gz KKZCIJOXSGLTEL-UHFFFAOYSA-N 0 1 382.464 3.316 20 0 GGADMN C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000188049119 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GGADMN COC(=O)[C@H]1CCN(Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000188108879 1431847562 /nfs/dbraw/zinc/84/75/62/1431847562.db2.gz ZEBIWTBXXKMWNH-LPHOPBHVSA-N 0 1 384.476 3.300 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000188110871 1431847797 /nfs/dbraw/zinc/84/77/97/1431847797.db2.gz DVWBQXKBADXDHU-UHOSZYNNSA-N 0 1 384.476 3.354 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2OCc2ccccn2)C[C@H]1C ZINC000188110141 1431847933 /nfs/dbraw/zinc/84/79/33/1431847933.db2.gz DMXCAECOLNDMKX-UZLBHIALSA-N 0 1 384.476 3.300 20 0 GGADMN CC(C)c1cccc2c1CCN(C(=O)CCN1CCN(c3ccccn3)CC1)C2 ZINC000188113989 1431848365 /nfs/dbraw/zinc/84/83/65/1431848365.db2.gz HTZILOOKVGFKSL-UHFFFAOYSA-N 0 1 392.547 3.302 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)NC[C@H]3CCCN3Cc3ccccc3)cc12 ZINC000188127333 1431850283 /nfs/dbraw/zinc/85/02/83/1431850283.db2.gz IPERMVSIXZIERM-LJQANCHMSA-N 0 1 391.471 3.461 20 0 GGADMN CC(C)(CC(=O)N1CC[C@@H](CN2CCOCC2)C1)Cc1ccc(Cl)cc1 ZINC000188163359 1431855117 /nfs/dbraw/zinc/85/51/17/1431855117.db2.gz CLBWQYRCOBTFTI-SFHVURJKSA-N 0 1 378.944 3.480 20 0 GGADMN CC(C)(CC(=O)N1CC[C@H](CN2CCOCC2)C1)Cc1ccc(Cl)cc1 ZINC000188163342 1431855239 /nfs/dbraw/zinc/85/52/39/1431855239.db2.gz CLBWQYRCOBTFTI-GOSISDBHSA-N 0 1 378.944 3.480 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)[nH]c2c1 ZINC000188169767 1431855984 /nfs/dbraw/zinc/85/59/84/1431855984.db2.gz VJLFWWZIPXRILK-QGZVFWFLSA-N 0 1 381.457 3.209 20 0 GGADMN Cn1nc(CCNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc21 ZINC000188171580 1431856188 /nfs/dbraw/zinc/85/61/88/1431856188.db2.gz IYBCREYXPRWYSD-FQEVSTJZSA-N 0 1 395.507 3.235 20 0 GGADMN CSc1nn(Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)c(=O)[nH]1 ZINC000188174240 1431856475 /nfs/dbraw/zinc/85/64/75/1431856475.db2.gz FBOROOBEQXMXIE-UHFFFAOYSA-N 0 1 389.506 3.100 20 0 GGADMN CSc1nn(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(=O)[nH]1 ZINC000188172512 1431856594 /nfs/dbraw/zinc/85/65/94/1431856594.db2.gz ORYQJZGCRYMRMD-UHFFFAOYSA-N 0 1 390.852 3.378 20 0 GGADMN COc1ccc(F)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1OC ZINC000188184350 1431857967 /nfs/dbraw/zinc/85/79/67/1431857967.db2.gz MXMDCQBISDYYFZ-CQSZACIVSA-N 0 1 378.469 3.471 20 0 GGADMN COC[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@H](C)O1 ZINC000188189061 1431858545 /nfs/dbraw/zinc/85/85/45/1431858545.db2.gz IVVIQAINWWXAKA-AVRDEDQJSA-N 0 1 382.504 3.195 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000188190457 1431858563 /nfs/dbraw/zinc/85/85/63/1431858563.db2.gz YNDGMCMOXGJOMR-UHFFFAOYSA-N 0 1 395.809 3.125 20 0 GGADMN C[C@H]1CN(C(=O)CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CCO1 ZINC000188192543 1431858720 /nfs/dbraw/zinc/85/87/20/1431858720.db2.gz FFZKCUHRYIXCOH-SJCJKPOMSA-N 0 1 399.304 3.266 20 0 GGADMN C[C@@H]1CN(C(=O)CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)CCO1 ZINC000188192562 1431858739 /nfs/dbraw/zinc/85/87/39/1431858739.db2.gz FFZKCUHRYIXCOH-SJKOYZFVSA-N 0 1 399.304 3.266 20 0 GGADMN O=C(NN=c1[n-]nc(-c2ccccn2)s1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000188229123 1431863635 /nfs/dbraw/zinc/86/36/35/1431863635.db2.gz SEAJPARRECDDMU-KRWDZBQOSA-N 0 1 394.504 3.098 20 0 GGADMN O=C(NN=c1[n-]nc(-c2ccccn2)s1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000188229123 1431863636 /nfs/dbraw/zinc/86/36/36/1431863636.db2.gz SEAJPARRECDDMU-KRWDZBQOSA-N 0 1 394.504 3.098 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(NS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000188236155 1431864493 /nfs/dbraw/zinc/86/44/93/1431864493.db2.gz FPQKCSHRYJVZLP-UHFFFAOYSA-N 0 1 390.452 3.033 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC(OC[C@@H]4CCCO4)CC3)n[nH]2)cc1C ZINC000188237886 1431864699 /nfs/dbraw/zinc/86/46/99/1431864699.db2.gz OMGYEHLYUZKHBA-IBGZPJMESA-N 0 1 383.492 3.494 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)ccc1C ZINC000188237479 1431864756 /nfs/dbraw/zinc/86/47/56/1431864756.db2.gz MIRGWONLUAHBEO-UHFFFAOYSA-N 0 1 399.476 3.064 20 0 GGADMN COc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(OCC2CC2)c1 ZINC000188261048 1431866551 /nfs/dbraw/zinc/86/65/51/1431866551.db2.gz AYSFUMWFPTWXAY-UHFFFAOYSA-N 0 1 395.503 3.273 20 0 GGADMN C[C@H](CNC(=O)CCOCC(F)(F)C(F)(F)F)N1CCc2ccccc2C1 ZINC000188266882 1431867403 /nfs/dbraw/zinc/86/74/03/1431867403.db2.gz LNFLJCVKEQIPAB-CYBMUJFWSA-N 0 1 394.384 3.154 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)C3(Cc4ccccc4F)CC3)n2)cc1 ZINC000188276081 1431868416 /nfs/dbraw/zinc/86/84/16/1431868416.db2.gz OATVWQPYSRZJCZ-UHFFFAOYSA-N 0 1 380.423 3.259 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)C3(Cc4ccccc4F)CC3)n[nH]2)cc1 ZINC000188276081 1431868419 /nfs/dbraw/zinc/86/84/19/1431868419.db2.gz OATVWQPYSRZJCZ-UHFFFAOYSA-N 0 1 380.423 3.259 20 0 GGADMN COc1ccc(F)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC ZINC000188276953 1431868622 /nfs/dbraw/zinc/86/86/22/1431868622.db2.gz WICVYZSJKLYHCC-UHFFFAOYSA-N 0 1 390.430 3.376 20 0 GGADMN COc1cccc(C(=O)c2ccc(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)cc2)c1 ZINC000188301378 1431871071 /nfs/dbraw/zinc/87/10/71/1431871071.db2.gz LDEZRBPXYKFPKY-HNAYVOBHSA-N 0 1 378.472 3.281 20 0 GGADMN CC[C@@H](CN(CC)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)c1ccccc1 ZINC000188303222 1431871248 /nfs/dbraw/zinc/87/12/48/1431871248.db2.gz KIYNJYUZNBOJDF-RBBKRZOGSA-N 0 1 388.600 3.484 20 0 GGADMN COC[C@@H](Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C1CCOCC1 ZINC000188327379 1431873694 /nfs/dbraw/zinc/87/36/94/1431873694.db2.gz VSHNSIALFKUMFT-OAQYLSRUSA-N 0 1 389.540 3.355 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2ccncc2C)CC1 ZINC000188336555 1431874564 /nfs/dbraw/zinc/87/45/64/1431874564.db2.gz RWGYPPNSBVPHTF-KRWDZBQOSA-N 0 1 384.499 3.091 20 0 GGADMN O=C(NCc1ccc(-n2cncn2)cc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188350806 1431876190 /nfs/dbraw/zinc/87/61/90/1431876190.db2.gz NQVCSAYYYDGVCE-UHFFFAOYSA-N 0 1 384.852 3.302 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000188358211 1431876619 /nfs/dbraw/zinc/87/66/19/1431876619.db2.gz JWNVWZKMQKWHNG-UHFFFAOYSA-N 0 1 377.429 3.130 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000188362097 1431877014 /nfs/dbraw/zinc/87/70/14/1431877014.db2.gz NFUXENUGXCFOAR-WOJBJXKFSA-N 0 1 393.466 3.200 20 0 GGADMN CCOC(=O)N[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188363565 1431877028 /nfs/dbraw/zinc/87/70/28/1431877028.db2.gz PCELDPFBGDYAJY-SNVBAGLBSA-N 0 1 382.873 3.142 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000188370654 1431877941 /nfs/dbraw/zinc/87/79/41/1431877941.db2.gz BMADPOGKMRPZNE-UHFFFAOYSA-N 0 1 386.349 3.144 20 0 GGADMN O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cccnc1C(F)(F)F ZINC000188373643 1431878482 /nfs/dbraw/zinc/87/84/82/1431878482.db2.gz QBRQITIAVCEEFL-UHFFFAOYSA-N 0 1 378.137 3.482 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000188374924 1431878548 /nfs/dbraw/zinc/87/85/48/1431878548.db2.gz FXBQTCJWWGIUMM-UHFFFAOYSA-N 0 1 390.443 3.303 20 0 GGADMN COc1cccc(CNC(=O)Cc2n[nH]c3c2CCCC3)c1OC1CCCC1 ZINC000188380586 1431879145 /nfs/dbraw/zinc/87/91/45/1431879145.db2.gz ZUTVJNVZOTZAHP-UHFFFAOYSA-N 0 1 383.492 3.477 20 0 GGADMN COc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(OCC2CC2)c1 ZINC000188384349 1431879576 /nfs/dbraw/zinc/87/95/76/1431879576.db2.gz AKRDPGZJHRAZLJ-UHFFFAOYSA-N 0 1 395.503 3.273 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCCCc1ccc(Br)cc1F ZINC000188385556 1431879579 /nfs/dbraw/zinc/87/95/79/1431879579.db2.gz YSPFLCXQDWDVAU-UHFFFAOYSA-N 0 1 394.288 3.482 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCC1(c2ccccc2Br)CC1 ZINC000188393619 1431880469 /nfs/dbraw/zinc/88/04/69/1431880469.db2.gz CKPNNYARVFDPOE-UHFFFAOYSA-N 0 1 388.309 3.442 20 0 GGADMN COc1cc2[nH]c(CCCNC(=O)Cc3n[nH]c4c3CCCC4)cc2c(OC)c1 ZINC000188415593 1431882359 /nfs/dbraw/zinc/88/23/59/1431882359.db2.gz JHEOQSIIRXFRSJ-UHFFFAOYSA-N 0 1 396.491 3.079 20 0 GGADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188418892 1431882557 /nfs/dbraw/zinc/88/25/57/1431882557.db2.gz MNNNHEDYWRTDOI-AWEZNQCLSA-N 0 1 378.517 3.031 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN[C@H](C)C3)c3ccccc3n2)cc1OC ZINC000188442515 1431884331 /nfs/dbraw/zinc/88/43/31/1431884331.db2.gz YFGQNKDKYRAXTE-OAHLLOKOSA-N 0 1 391.471 3.353 20 0 GGADMN COC(=O)N1CCC([C@H](C)NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000188455391 1431885241 /nfs/dbraw/zinc/88/52/41/1431885241.db2.gz LXLCWVLLIRHCGV-VIFPVBQESA-N 0 1 375.252 3.296 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000188454003 1431885298 /nfs/dbraw/zinc/88/52/98/1431885298.db2.gz PUSDTGMEZBUTAT-XLIONFOSSA-N 0 1 387.524 3.024 20 0 GGADMN CCc1ccccc1CC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000188503479 1431889603 /nfs/dbraw/zinc/88/96/03/1431889603.db2.gz FNDIDXKODKRTKU-HXUWFJFHSA-N 0 1 382.504 3.199 20 0 GGADMN Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3[nH]nc4c3CNCC4)cc2)c1 ZINC000188520239 1431891456 /nfs/dbraw/zinc/89/14/56/1431891456.db2.gz VWMLYZSCJCLLSV-MRXNPFEDSA-N 0 1 390.487 3.434 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188527424 1431892068 /nfs/dbraw/zinc/89/20/68/1431892068.db2.gz GWAXFNBIVSFVHH-SNVBAGLBSA-N 0 1 385.468 3.117 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCCc1nn(C)c2ccccc12)c1ccco1 ZINC000188535185 1431892919 /nfs/dbraw/zinc/89/29/19/1431892919.db2.gz ZWAQRAYWTTUFGI-IBGZPJMESA-N 0 1 383.496 3.091 20 0 GGADMN CCn1nccc1N1CCC[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1=O ZINC000188542387 1431893774 /nfs/dbraw/zinc/89/37/74/1431893774.db2.gz SEARQUQYBOXUGG-MSOLQXFVSA-N 0 1 380.492 3.435 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CCCC2(CCCCC2)CC1)N1CCN(C)CC1 ZINC000188562621 1431895475 /nfs/dbraw/zinc/89/54/75/1431895475.db2.gz MMXRZWRGXPEZCM-FQEVSTJZSA-N 0 1 378.605 3.404 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000188586368 1431897624 /nfs/dbraw/zinc/89/76/24/1431897624.db2.gz FNWRBNHVSPXAHS-MRXNPFEDSA-N 0 1 399.457 3.268 20 0 GGADMN c1ccc(CN2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)nc1 ZINC000188594905 1431898484 /nfs/dbraw/zinc/89/84/84/1431898484.db2.gz VQHUCGTYTPONIS-UHFFFAOYSA-N 0 1 388.519 3.287 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(Br)n1 ZINC000188600003 1431899002 /nfs/dbraw/zinc/89/90/02/1431899002.db2.gz FXKOYVWRJXGZJP-GFCCVEGCSA-N 0 1 379.258 3.396 20 0 GGADMN COc1ccc(F)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1OC ZINC000188605896 1431899426 /nfs/dbraw/zinc/89/94/26/1431899426.db2.gz JQTPEAMGLVEZKL-AWEZNQCLSA-N 0 1 387.455 3.193 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(Br)n1)c1ccc(F)cc1 ZINC000188609834 1431899886 /nfs/dbraw/zinc/89/98/86/1431899886.db2.gz KLXKZMZPBBQXHL-CYBMUJFWSA-N 0 1 381.249 3.408 20 0 GGADMN COc1ccc(CCCCCC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000188616729 1431902624 /nfs/dbraw/zinc/90/26/24/1431902624.db2.gz ISBNUYFSRQBDDU-SFHVURJKSA-N 0 1 376.541 3.102 20 0 GGADMN Cc1ccc(C)n1-c1sccc1C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188649019 1431917198 /nfs/dbraw/zinc/91/71/98/1431917198.db2.gz GVVKEYYOAPTEGB-MRXNPFEDSA-N 0 1 375.538 3.073 20 0 GGADMN C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CCN1CC(C)(C)O ZINC000188658333 1431921688 /nfs/dbraw/zinc/92/16/88/1431921688.db2.gz LUZXFPJDTAUZTA-QGZVFWFLSA-N 0 1 398.551 3.087 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)CCN1CC(C)(C)O ZINC000188662680 1431923613 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BNJIWJHUVNKVRC-UNMCSNQZSA-N 0 1 389.540 3.026 20 0 GGADMN Cc1ccc2ncc(CN(C)[C@H](C)c3cccc(N4CCCS4(=O)=O)c3)n2c1 ZINC000189982106 1432297994 /nfs/dbraw/zinc/29/79/94/1432297994.db2.gz QKHSNGFJMKUDRC-QGZVFWFLSA-N 0 1 398.532 3.376 20 0 GGADMN CCOC(=O)[C@](C)(CN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000189983133 1432298547 /nfs/dbraw/zinc/29/85/47/1432298547.db2.gz OMJAAIYRSNWGFN-NZQKXSOJSA-N 0 1 380.488 3.117 20 0 GGADMN CCOC(=O)[C@@](C)(CN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000189983114 1432298941 /nfs/dbraw/zinc/29/89/41/1432298941.db2.gz OMJAAIYRSNWGFN-REWPJTCUSA-N 0 1 380.488 3.117 20 0 GGADMN CCOC(=O)[C@@](C)(CN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1 ZINC000189983152 1432299044 /nfs/dbraw/zinc/29/90/44/1432299044.db2.gz OMJAAIYRSNWGFN-OFNKIYASSA-N 0 1 380.488 3.117 20 0 GGADMN Cc1cccn2c(CN(C)[C@H](C)c3cccc(N4CCCS4(=O)=O)c3)cnc12 ZINC000189984461 1432299663 /nfs/dbraw/zinc/29/96/63/1432299663.db2.gz KTZVAZYNYIPLGI-QGZVFWFLSA-N 0 1 398.532 3.376 20 0 GGADMN CCOC[C@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000190005021 1432302938 /nfs/dbraw/zinc/30/29/38/1432302938.db2.gz HTPSFQSULJVEMP-OPYAIIAOSA-N 0 1 391.556 3.156 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2ccccc2Cc2ccccc2)C1(C)C ZINC000190018138 1432305644 /nfs/dbraw/zinc/30/56/44/1432305644.db2.gz HSIDGWGAQPPFMT-ZJSXRUAMSA-N 0 1 396.531 3.372 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCC(=O)Nc2ccccc2Cc2ccccc2)C1(C)C ZINC000190018156 1432305670 /nfs/dbraw/zinc/30/56/70/1432305670.db2.gz HSIDGWGAQPPFMT-XUZZJYLKSA-N 0 1 396.531 3.372 20 0 GGADMN Cc1cc(CN2CCC(O)(c3c(F)cccc3F)CC2)ccc1-n1cncn1 ZINC000190026675 1432307105 /nfs/dbraw/zinc/30/71/05/1432307105.db2.gz CKBJDOIILLQMQP-UHFFFAOYSA-N 0 1 384.430 3.338 20 0 GGADMN OC1(c2c(F)cccc2F)CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000190026950 1432307323 /nfs/dbraw/zinc/30/73/23/1432307323.db2.gz KMCRVOZVXFEMAQ-UHFFFAOYSA-N 0 1 388.458 3.285 20 0 GGADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCCO1 ZINC000190032443 1432308318 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GGADMN Cc1nc(-c2ccc(NC(=O)N3CCN(CC(C)(C)O)C[C@H]3C)cc2)cs1 ZINC000190081109 1432316155 /nfs/dbraw/zinc/31/61/55/1432316155.db2.gz IUDIXABRUFPXPW-CQSZACIVSA-N 0 1 388.537 3.427 20 0 GGADMN O=C1C[C@@H](N2CCC([C@@H]3CCCO3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000190080884 1432316283 /nfs/dbraw/zinc/31/62/83/1432316283.db2.gz BRGFWUNPYKHXAD-RTWAWAEBSA-N 0 1 378.472 3.363 20 0 GGADMN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)NC1CCN(Cc2ccncc2)CC1 ZINC000190082027 1432316706 /nfs/dbraw/zinc/31/67/06/1432316706.db2.gz DAPNUFGVZBQKIY-UNMCSNQZSA-N 0 1 394.519 3.123 20 0 GGADMN COc1ccc(Cl)c(CON=C(N)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000190097236 1432319049 /nfs/dbraw/zinc/31/90/49/1432319049.db2.gz SEGKNJNNGIHNET-UHFFFAOYSA-N 0 1 389.883 3.147 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000190100597 1432319735 /nfs/dbraw/zinc/31/97/35/1432319735.db2.gz BYMCNJFZWTZCAK-MRXNPFEDSA-N 0 1 375.513 3.317 20 0 GGADMN Cc1ccc(F)c(-c2cc(NC(=O)c3ccc4c(=O)[nH]c(=S)[nH]c4c3)n[nH]2)c1 ZINC000190104645 1432320527 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392.525 3.211 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCOC[C@H]1c1nc(C)cs1)c1ccco1 ZINC000190134723 1432325980 /nfs/dbraw/zinc/32/59/80/1432325980.db2.gz RFZWXABPBNFXCB-CVEARBPZSA-N 0 1 392.525 3.211 20 0 GGADMN CCCCOc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(C)c1 ZINC000190144647 1432327690 /nfs/dbraw/zinc/32/76/90/1432327690.db2.gz DBSPGYQLDBPXBE-QGZVFWFLSA-N 0 1 377.529 3.483 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000190149538 1432328522 /nfs/dbraw/zinc/32/85/22/1432328522.db2.gz BDGFNYIBYGUKNB-KRWDZBQOSA-N 0 1 398.507 3.491 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000190154494 1432329444 /nfs/dbraw/zinc/32/94/44/1432329444.db2.gz MGHITOFCXYWXGJ-LLVKDONJSA-N 0 1 377.382 3.153 20 0 GGADMN COc1cccc([C@H](CNC(=O)N[C@H]2CCOc3c(F)cccc32)N(C)C)c1 ZINC000190162357 1432330825 /nfs/dbraw/zinc/33/08/25/1432330825.db2.gz XEZOCDITJGCFLH-OALUTQOASA-N 0 1 387.455 3.260 20 0 GGADMN Cc1csc(-c2ccc(NC(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)cc2)n1 ZINC000190163850 1432331092 /nfs/dbraw/zinc/33/10/92/1432331092.db2.gz OIVYXLAZDPSKDN-HNNXBMFYSA-N 0 1 388.537 3.427 20 0 GGADMN O=C(c1cccc(Cl)c1)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190164931 1432331486 /nfs/dbraw/zinc/33/14/86/1432331486.db2.gz IILNNJIKEIMUBD-UHFFFAOYSA-N 0 1 378.900 3.031 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CCN1CC(C)(C)O ZINC000190174845 1432333744 /nfs/dbraw/zinc/33/37/44/1432333744.db2.gz ONXLDNGOGGHMOA-NSHDSACASA-N 0 1 377.382 3.153 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000190186304 1432336080 /nfs/dbraw/zinc/33/60/80/1432336080.db2.gz AJVPEXXKOQEMLD-HNNXBMFYSA-N 0 1 394.947 3.249 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000190186284 1432336172 /nfs/dbraw/zinc/33/61/72/1432336172.db2.gz AJVPEXXKOQEMLD-OAHLLOKOSA-N 0 1 394.947 3.249 20 0 GGADMN CC(C)(C)c1cc(NC(=O)N2CCN(C3CCCC3)CC2)n(-c2ncccn2)n1 ZINC000190186594 1432336352 /nfs/dbraw/zinc/33/63/52/1432336352.db2.gz NDCWWHZLDFLYCX-UHFFFAOYSA-N 0 1 397.527 3.052 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(Oc3ccncc3)c2)CCN1CC(C)(C)O ZINC000190191734 1432337410 /nfs/dbraw/zinc/33/74/10/1432337410.db2.gz MWVMWLDJIWSXHL-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190193436 1432337603 /nfs/dbraw/zinc/33/76/03/1432337603.db2.gz XWOPLIOQJBPHGL-QGZVFWFLSA-N 0 1 399.539 3.440 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000190204738 1432340370 /nfs/dbraw/zinc/34/03/70/1432340370.db2.gz IBWLTZPCJXMSBN-QGZVFWFLSA-N 0 1 389.540 3.455 20 0 GGADMN CC1CCN(c2cccc(NC(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)c2)CC1 ZINC000190204032 1432340571 /nfs/dbraw/zinc/34/05/71/1432340571.db2.gz GLUWTAXFWWVQDF-GOSISDBHSA-N 0 1 388.556 3.232 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000190206865 1432341139 /nfs/dbraw/zinc/34/11/39/1432341139.db2.gz FSXDUXJGKIPFLN-SFHVURJKSA-N 0 1 388.556 3.376 20 0 GGADMN Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1[N+](=O)[O-] ZINC000190212849 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Cc1cccc(OC[C@H](O)CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c1 ZINC000190243379 1432347797 /nfs/dbraw/zinc/34/77/97/1432347797.db2.gz KVLMLOQITKMGRW-GFCCVEGCSA-N 0 1 391.880 3.270 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNCC[C@](C)(O)c1ccccc1 ZINC000190274552 1432352033 /nfs/dbraw/zinc/35/20/33/1432352033.db2.gz KXCQSLXSGCIGOE-QHCPKHFHSA-N 0 1 393.487 3.436 20 0 GGADMN O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000190278289 1432352611 /nfs/dbraw/zinc/35/26/11/1432352611.db2.gz PLKOMMRRRFJRRE-SNVBAGLBSA-N 0 1 391.859 3.334 20 0 GGADMN CCCc1cnc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N(CC)CC)s1 ZINC000190308391 1432357274 /nfs/dbraw/zinc/35/72/74/1432357274.db2.gz PIMYWDOURPFEEH-HNNXBMFYSA-N 0 1 394.566 3.295 20 0 GGADMN Cc1ccc(Cl)cc1CNC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000190330285 1432362763 /nfs/dbraw/zinc/36/27/63/1432362763.db2.gz MVDZJBXLSRDXQR-UHFFFAOYSA-N 0 1 385.855 3.345 20 0 GGADMN COc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)cc(Cl)c1OCC(C)C ZINC000190350209 1432365845 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CCOC(=O)C1CCC(O)(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000190827632 1432497329 /nfs/dbraw/zinc/49/73/29/1432497329.db2.gz MTYCXXUJEBRNKM-KGXSXCIVSA-N 0 1 381.900 3.198 20 0 GGADMN CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2cnn(CC(C)C)c2)CC1 ZINC000190831401 1432499405 /nfs/dbraw/zinc/49/94/05/1432499405.db2.gz WSVGPMPADIMCDB-UHFFFAOYSA-N 0 1 378.561 3.167 20 0 GGADMN CON(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190862383 1432511531 /nfs/dbraw/zinc/51/15/31/1432511531.db2.gz MSUKPFKJGJZRKI-OAQYLSRUSA-N 0 1 383.492 3.051 20 0 GGADMN O[C@H](CNCc1nccn1-c1ccccc1)COc1cccc(C(F)(F)F)c1 ZINC000190869791 1432514042 /nfs/dbraw/zinc/51/40/42/1432514042.db2.gz XFESPXXKTBNOAU-QGZVFWFLSA-N 0 1 391.393 3.421 20 0 GGADMN CC(C)[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)n1nnc(-c2ccccc2)n1 ZINC000190890618 1432520601 /nfs/dbraw/zinc/52/06/01/1432520601.db2.gz JVSKEDCGOMLTIY-OXJNMPFZSA-N 0 1 397.442 3.357 20 0 GGADMN CC(C)[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)n1nnc(-c2ccccc2)n1 ZINC000190890600 1432520830 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BHQXADLHCFFIDN-LJQANCHMSA-N 0 1 380.916 3.477 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000192142936 1432806338 /nfs/dbraw/zinc/80/63/38/1432806338.db2.gz XIHAAUGSHFMTDL-UHFFFAOYSA-N 0 1 380.488 3.216 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 ZINC000192144367 1432806553 /nfs/dbraw/zinc/80/65/53/1432806553.db2.gz ZPZLDPBVNABIKQ-QFIPXVFZSA-N 0 1 396.487 3.204 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000192143971 1432806671 /nfs/dbraw/zinc/80/66/71/1432806671.db2.gz ILWTWKBDTQAEHC-UHFFFAOYSA-N 0 1 376.472 3.035 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000192143777 1432806698 /nfs/dbraw/zinc/80/66/98/1432806698.db2.gz SUHUDARITLOJEH-UHFFFAOYSA-N 0 1 394.515 3.483 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 ZINC000192145129 1432806997 /nfs/dbraw/zinc/80/69/97/1432806997.db2.gz KYQFJDKCUSCLNU-SFHVURJKSA-N 0 1 376.472 3.035 20 0 GGADMN 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GGADMN Cc1ccc(CN2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000198809931 1433351150 /nfs/dbraw/zinc/35/11/50/1433351150.db2.gz AHHHQYWSICKFDD-UHFFFAOYSA-N 0 1 391.515 3.470 20 0 GGADMN COc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000205033181 1433353132 /nfs/dbraw/zinc/35/31/32/1433353132.db2.gz RJMFWZNLNVSFDR-GOSISDBHSA-N 0 1 384.476 3.107 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000209608743 1433356041 /nfs/dbraw/zinc/35/60/41/1433356041.db2.gz TZHNLBGNPSBGAL-SJORKVTESA-N 0 1 391.512 3.241 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000209608712 1433356052 /nfs/dbraw/zinc/35/60/52/1433356052.db2.gz TZHNLBGNPSBGAL-IAGOWNOFSA-N 0 1 391.512 3.241 20 0 GGADMN COc1cccc(CNC(=O)CSc2nc(C=Cc3ccc(C)o3)n[nH]2)c1 ZINC000210228668 1433356804 /nfs/dbraw/zinc/35/68/04/1433356804.db2.gz ADVKKHYVFHNDHF-HJWRWDBZSA-N 0 1 384.461 3.294 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@@H](O)COC(C)C)CC2 ZINC000215870190 1433362308 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CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](SCc2ccccc2)C(C)C)C1 ZINC000229125181 1433371774 /nfs/dbraw/zinc/37/17/74/1433371774.db2.gz XORGCKJJXOTTMZ-PMACEKPBSA-N 0 1 378.582 3.417 20 0 GGADMN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000229777345 1433372050 /nfs/dbraw/zinc/37/20/50/1433372050.db2.gz XJDCAIDDISXYDN-KSZLIROESA-N 0 1 376.541 3.367 20 0 GGADMN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000231751750 1433373197 /nfs/dbraw/zinc/37/31/97/1433373197.db2.gz SVUVMQMBIOXAFZ-YFKPBYRVSA-N 0 1 381.601 3.117 20 0 GGADMN Brc1ccccc1CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000236573651 1433373961 /nfs/dbraw/zinc/37/39/61/1433373961.db2.gz WQHGGHPQTYNTRD-GOSISDBHSA-N 0 1 375.310 3.440 20 0 GGADMN CC(C)(C)N1C[C@@H](NCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1=O ZINC000236648164 1433375006 /nfs/dbraw/zinc/37/50/06/1433375006.db2.gz MJFRGTALQLOGSB-IRXDYDNUSA-N 0 1 380.916 3.387 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2NCCc3ccccc32)cc1 ZINC000236763451 1433378078 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Cc1ccc(-c2cc(C(=O)N3CCN[C@@H](C)C3)c3cnn(C(C)C)c3n2)s1 ZINC000236815212 1433379686 /nfs/dbraw/zinc/37/96/86/1433379686.db2.gz FHKTZSVACKBLON-ZDUSSCGKSA-N 0 1 383.521 3.483 20 0 GGADMN CCOc1cc2c(cc1CNC[C@@H](O)COc1ccc(F)cc1)O[C@@H](C)C2 ZINC000236869839 1433381413 /nfs/dbraw/zinc/38/14/13/1433381413.db2.gz JFODQICKDQNRDY-KBXCAEBGSA-N 0 1 375.440 3.077 20 0 GGADMN CC[C@@H](C)NC(=O)CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236874793 1433381499 /nfs/dbraw/zinc/38/14/99/1433381499.db2.gz HLSKNEOGKDECCH-GFCCVEGCSA-N 0 1 379.302 3.234 20 0 GGADMN CCOc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1OC(F)F ZINC000236888630 1433382295 /nfs/dbraw/zinc/38/22/95/1433382295.db2.gz NPTXVXORMIERFL-INIZCTEOSA-N 0 1 376.403 3.017 20 0 GGADMN CCCOc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c(OC(F)F)c1 ZINC000236936728 1433383465 /nfs/dbraw/zinc/38/34/65/1433383465.db2.gz NLECAYGDRUTQPX-GOSISDBHSA-N 0 1 390.430 3.408 20 0 GGADMN CC[C@@H](CNCc1csc(N(CC)C(C)=O)n1)N1CCc2ccccc2C1 ZINC000236997047 1433385411 /nfs/dbraw/zinc/38/54/11/1433385411.db2.gz PVCFQQOCHCTKSC-FQEVSTJZSA-N 0 1 386.565 3.442 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]1NCCc2ccccc21 ZINC000237011387 1433385566 /nfs/dbraw/zinc/38/55/66/1433385566.db2.gz YGGYBXXIUUMNFU-JOCHJYFZSA-N 0 1 378.520 3.034 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OC)c(O)c2)cc1 ZINC000237009159 1433385610 /nfs/dbraw/zinc/38/56/10/1433385610.db2.gz KTVAVLCXDHICHR-OAHLLOKOSA-N 0 1 392.521 3.282 20 0 GGADMN CC[C@@H](NCc1cccc(C(N)=O)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000237016244 1433386043 /nfs/dbraw/zinc/38/60/43/1433386043.db2.gz BOOIIPWXWHQHTD-HXUWFJFHSA-N 0 1 395.503 3.028 20 0 GGADMN CCOc1cc(CN[C@H](C)C(=O)NC(C)(C)C)ccc1OCC(F)(F)F ZINC000237061513 1433387655 /nfs/dbraw/zinc/38/76/55/1433387655.db2.gz HAVPLJACMFSKJW-GFCCVEGCSA-N 0 1 376.419 3.419 20 0 GGADMN COc1ccccc1N1CC[C@H](NCc2cccc(Br)c2)C1=O ZINC000237105257 1433389230 /nfs/dbraw/zinc/38/92/30/1433389230.db2.gz MXCQICDFAQQPJA-HNNXBMFYSA-N 0 1 375.266 3.353 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000237109257 1433389506 /nfs/dbraw/zinc/38/95/06/1433389506.db2.gz PPQZGBNTXHJGFA-UHFFFAOYSA-N 0 1 388.411 3.125 20 0 GGADMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1NCCc2ccccc21 ZINC000237121498 1433389890 /nfs/dbraw/zinc/38/98/90/1433389890.db2.gz HBHRPFQVFWRNDE-QFIPXVFZSA-N 0 1 392.478 3.494 20 0 GGADMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000237121018 1433390120 /nfs/dbraw/zinc/39/01/20/1433390120.db2.gz BASNKTDSIGKDHG-QFIPXVFZSA-N 0 1 392.478 3.321 20 0 GGADMN COc1ccc(Br)cc1CNC[C@@H](O)COc1cccc(C)c1 ZINC000237133211 1433390322 /nfs/dbraw/zinc/39/03/22/1433390322.db2.gz ZGDNIHWFHHQBCJ-MRXNPFEDSA-N 0 1 380.282 3.296 20 0 GGADMN CN(C)C(=O)COc1ccccc1CNCc1ccc(Br)c(F)c1 ZINC000237165382 1433391169 /nfs/dbraw/zinc/39/11/69/1433391169.db2.gz QMTFRCWNCOENJN-UHFFFAOYSA-N 0 1 395.272 3.345 20 0 GGADMN CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2)c1 ZINC000237258170 1433394781 /nfs/dbraw/zinc/39/47/81/1433394781.db2.gz BVUBJOJKOLDUET-NRFANRHFSA-N 0 1 392.528 3.428 20 0 GGADMN COCCNCC(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 ZINC000237264128 1433394980 /nfs/dbraw/zinc/39/49/80/1433394980.db2.gz PEUCDDPEDGWNLS-UHFFFAOYSA-N 0 1 396.491 3.384 20 0 GGADMN COc1cc(C)c([C@@H](C)NCc2cnc(N3CCOCC3)s2)cc1OC ZINC000237283593 1433395732 /nfs/dbraw/zinc/39/57/32/1433395732.db2.gz LPUSXRSOUKZGHJ-CQSZACIVSA-N 0 1 377.510 3.156 20 0 GGADMN COc1ccc(-c2ccc(CNCCNC(=O)OC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287914 1433396156 /nfs/dbraw/zinc/39/61/56/1433396156.db2.gz KBDVAKZJNMBALQ-UHFFFAOYSA-N 0 1 391.424 3.478 20 0 GGADMN COc1cc(CN(C)C(=O)[C@@H]2Cc3ccccc3CN2)c(SC)cc1OC ZINC000237300660 1433396448 /nfs/dbraw/zinc/39/64/48/1433396448.db2.gz YLNAQBXFTNWMFW-KRWDZBQOSA-N 0 1 386.517 3.099 20 0 GGADMN C[C@@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)[C@@H](C)c1ccccc1 ZINC000237329299 1433397759 /nfs/dbraw/zinc/39/77/59/1433397759.db2.gz GCANIBPYZZAGDG-HMFYCAOWSA-N 0 1 376.504 3.110 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc(F)c(Cl)c3)C2=O)c1 ZINC000237350039 1433398523 /nfs/dbraw/zinc/39/85/23/1433398523.db2.gz PQRMFQFOQOJEDQ-GOSISDBHSA-N 0 1 378.831 3.391 20 0 GGADMN COc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c1OC1CCCC1 ZINC000237361814 1433399033 /nfs/dbraw/zinc/39/90/33/1433399033.db2.gz YMQCITZBJCNAHJ-HXUWFJFHSA-N 0 1 380.488 3.347 20 0 GGADMN COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1OC1CCCC1 ZINC000237361496 1433399136 /nfs/dbraw/zinc/39/91/36/1433399136.db2.gz YMQCITZBJCNAHJ-FQEVSTJZSA-N 0 1 380.488 3.347 20 0 GGADMN COc1ccc(OC(F)F)c(CNCc2ccccc2N2CCOCC2)c1 ZINC000237368421 1433399332 /nfs/dbraw/zinc/39/93/32/1433399332.db2.gz ZHMZZNZEAHWLQU-UHFFFAOYSA-N 0 1 378.419 3.423 20 0 GGADMN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000237387509 1433400154 /nfs/dbraw/zinc/40/01/54/1433400154.db2.gz WHESIKHXKDFXOO-KRWDZBQOSA-N 0 1 390.487 3.041 20 0 GGADMN COc1cc2c(c(CNCc3ccc(CN4CCCC4=O)cc3)c1)O[C@H](C)C2 ZINC000237408124 1433401345 /nfs/dbraw/zinc/40/13/45/1433401345.db2.gz WHQVICNVHHIZAV-MRXNPFEDSA-N 0 1 380.488 3.431 20 0 GGADMN COc1cc2c(c(CN[C@@H](CN3CCOCC3)c3ccccc3)c1)O[C@@H](C)C2 ZINC000237423976 1433402477 /nfs/dbraw/zinc/40/24/77/1433402477.db2.gz NYRWEDFHPYPFPB-JTSKRJEESA-N 0 1 382.504 3.182 20 0 GGADMN C[C@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)C(C)(C)c1ccccc1 ZINC000237435055 1433402820 /nfs/dbraw/zinc/40/28/20/1433402820.db2.gz NENDVKBYTMXPMW-AVRDEDQJSA-N 0 1 390.531 3.284 20 0 GGADMN Cc1c([C@@H](C)NC(=O)[C@H]2NCCc3ccccc32)cnn1-c1ccc(F)cc1 ZINC000237450469 1433403712 /nfs/dbraw/zinc/40/37/12/1433403712.db2.gz ZARAUOXGIWYTKP-SZNDQCEHSA-N 0 1 378.451 3.384 20 0 GGADMN COc1ccc(-c2csc(NC(=O)[C@@H](N)Cc3ccccc3)n2)cc1OC ZINC000237456271 1433404025 /nfs/dbraw/zinc/40/40/25/1433404025.db2.gz XKEGBSQZQHTEHM-HNNXBMFYSA-N 0 1 383.473 3.336 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3cccc4c3OC(C)(C)C4)C2=O)c1 ZINC000237457916 1433404234 /nfs/dbraw/zinc/40/42/34/1433404234.db2.gz YNOKBOKEZDVVTJ-FQEVSTJZSA-N 0 1 396.487 3.312 20 0 GGADMN C[C@H](NC(=O)[C@@H]1NCCc2ccccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237469742 1433404687 /nfs/dbraw/zinc/40/46/87/1433404687.db2.gz PJVNQYSOZQIDKV-YVEFUNNKSA-N 0 1 382.851 3.454 20 0 GGADMN Cc1nn(C)c(Cl)c1CNC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000237474302 1433405064 /nfs/dbraw/zinc/40/50/64/1433405064.db2.gz YDBUWDJKIBZUOI-JSGCOSHPSA-N 0 1 386.924 3.232 20 0 GGADMN Cc1nn(C)c(Cl)c1CNC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000237473195 1433405076 /nfs/dbraw/zinc/40/50/76/1433405076.db2.gz YDBUWDJKIBZUOI-GXTWGEPZSA-N 0 1 386.924 3.232 20 0 GGADMN C[C@@H](CN1CCOCC1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000237509098 1433406909 /nfs/dbraw/zinc/40/69/09/1433406909.db2.gz ZOYMHORECHCTOF-ZDUSSCGKSA-N 0 1 396.354 3.383 20 0 GGADMN C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1coc(-c2ccccc2)n1 ZINC000237519684 1433407764 /nfs/dbraw/zinc/40/77/64/1433407764.db2.gz LYTBKSMDGAEMRP-SFHVURJKSA-N 0 1 377.492 3.037 20 0 GGADMN C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237549667 1433408781 /nfs/dbraw/zinc/40/87/81/1433408781.db2.gz VMSNDTBQHYMGJQ-YVEFUNNKSA-N 0 1 382.851 3.282 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)CCN1 ZINC000237547256 1433408785 /nfs/dbraw/zinc/40/87/85/1433408785.db2.gz ZBCGXYAVLDDEJU-CQSZACIVSA-N 0 1 383.517 3.313 20 0 GGADMN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCN[C@@H](C)C3)c2)cc1 ZINC000237572337 1433410350 /nfs/dbraw/zinc/41/03/50/1433410350.db2.gz NECIRYHQGHPIPO-KRWDZBQOSA-N 0 1 380.488 3.221 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3)cc2F)C[C@@H](C)O1 ZINC000237598523 1433411600 /nfs/dbraw/zinc/41/16/00/1433411600.db2.gz PMDLCDCFKQIFRP-SXGZJXTBSA-N 0 1 383.467 3.092 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3Cc4ccccc4CN3)cc2F)C[C@@H](C)O1 ZINC000237598776 1433411665 /nfs/dbraw/zinc/41/16/65/1433411665.db2.gz PMDLCDCFKQIFRP-STXHMFSFSA-N 0 1 383.467 3.092 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3NCCc4ccccc43)cc2F)C[C@@H](C)O1 ZINC000237598682 1433411760 /nfs/dbraw/zinc/41/17/60/1433411760.db2.gz VFBUYVSYVSGMTH-PZPWOCDFSA-N 0 1 383.467 3.265 20 0 GGADMN Cc1cc(CNCCS(=O)(=O)NCc2ccccc2)cc(C)c1OC(F)F ZINC000237626391 1433413134 /nfs/dbraw/zinc/41/31/34/1433413134.db2.gz KMKQFHXBFVGRIF-UHFFFAOYSA-N 0 1 398.475 3.114 20 0 GGADMN Cc1ccc([C@H](C[NH2+]Cc2cc(Br)ccc2[O-])N2CCOCC2)o1 ZINC000237628164 1433413711 /nfs/dbraw/zinc/41/37/11/1433413711.db2.gz ZTCZLAOFENFCCB-INIZCTEOSA-N 0 1 395.297 3.219 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000237646425 1433414628 /nfs/dbraw/zinc/41/46/28/1433414628.db2.gz RPDQDTGAIMLQGW-MRXNPFEDSA-N 0 1 393.896 3.140 20 0 GGADMN Cc1nn(C)c(Cl)c1CNC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000237675398 1433416585 /nfs/dbraw/zinc/41/65/85/1433416585.db2.gz YDBUWDJKIBZUOI-OCCSQVGLSA-N 0 1 386.924 3.232 20 0 GGADMN Cc1nn(C)c(Cl)c1CNC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000237674646 1433416630 /nfs/dbraw/zinc/41/66/30/1433416630.db2.gz YDBUWDJKIBZUOI-TZMCWYRMSA-N 0 1 386.924 3.232 20 0 GGADMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCc1nc2ccccc2n1C ZINC000237676069 1433416675 /nfs/dbraw/zinc/41/66/75/1433416675.db2.gz AXTOTAXADJQLFW-PBHICJAKSA-N 0 1 388.512 3.423 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc2C)c1 ZINC000237695070 1433417422 /nfs/dbraw/zinc/41/74/22/1433417422.db2.gz DREJLVCHWNLHOR-GOSISDBHSA-N 0 1 389.521 3.416 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000237694251 1433417511 /nfs/dbraw/zinc/41/75/11/1433417511.db2.gz LWSVOVNVIPVYOS-SFHVURJKSA-N 0 1 399.516 3.124 20 0 GGADMN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1NCCc2ccccc21 ZINC000237708540 1433418260 /nfs/dbraw/zinc/41/82/60/1433418260.db2.gz POBHPMYLSIFYJF-OAHLLOKOSA-N 0 1 399.800 3.136 20 0 GGADMN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000237745572 1433420666 /nfs/dbraw/zinc/42/06/66/1433420666.db2.gz DPAMTMFWTBEYLZ-IBGZPJMESA-N 0 1 393.512 3.194 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2cc(C)c(C)cc2OC(F)F)cc1 ZINC000237744999 1433420774 /nfs/dbraw/zinc/42/07/74/1433420774.db2.gz RPAUZPRMDBJGPC-UHFFFAOYSA-N 0 1 398.475 3.281 20 0 GGADMN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000237746188 1433420843 /nfs/dbraw/zinc/42/08/43/1433420843.db2.gz DPAMTMFWTBEYLZ-LJQANCHMSA-N 0 1 393.512 3.194 20 0 GGADMN Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@]3(C)CC[NH2+]C3)ccc2C)c1 ZINC000237755084 1433421195 /nfs/dbraw/zinc/42/11/95/1433421195.db2.gz DGDPIROSMAQKAA-HXUWFJFHSA-N 0 1 387.505 3.042 20 0 GGADMN C[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCN1 ZINC000237750706 1433421302 /nfs/dbraw/zinc/42/13/02/1433421302.db2.gz LNPZYJFJYMJMMA-INIZCTEOSA-N 0 1 378.451 3.041 20 0 GGADMN NC(=O)c1cccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000237766730 1433422288 /nfs/dbraw/zinc/42/22/88/1433422288.db2.gz HAIQJOVDWABYOT-UHFFFAOYSA-N 0 1 377.419 3.467 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccc(-n2ccnc2)cc1 ZINC000237769516 1433422849 /nfs/dbraw/zinc/42/28/49/1433422849.db2.gz OIXHRVDNUWEQQM-UHFFFAOYSA-N 0 1 379.386 3.145 20 0 GGADMN NC(=O)c1cccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000237768751 1433422883 /nfs/dbraw/zinc/42/28/83/1433422883.db2.gz PIJUTUMTFBLLIN-UHFFFAOYSA-N 0 1 377.419 3.467 20 0 GGADMN Cc1nn(C)c2ncc(CNc3ccccc3CN3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000237779834 1433423122 /nfs/dbraw/zinc/42/31/22/1433423122.db2.gz HPCOIJDSFBBPPV-IYBDPMFKSA-N 0 1 379.508 3.498 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCn1c(=O)[nH]c2ccccc21 ZINC000237775668 1433423260 /nfs/dbraw/zinc/42/32/60/1433423260.db2.gz NBNXAZOXZLBFSU-UHFFFAOYSA-N 0 1 399.857 3.406 20 0 GGADMN N[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000237804170 1433425016 /nfs/dbraw/zinc/42/50/16/1433425016.db2.gz XVGYLCBRJNQVGK-OAHLLOKOSA-N 0 1 398.816 3.102 20 0 GGADMN N[C@@H](C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1 ZINC000237849799 1433428851 /nfs/dbraw/zinc/42/88/51/1433428851.db2.gz DGKVKKKCNVTXSE-DZGCQCFKSA-N 0 1 398.816 3.149 20 0 GGADMN Cc1ccc(SCCNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)cc1 ZINC000237866209 1433429919 /nfs/dbraw/zinc/42/99/19/1433429919.db2.gz QGXBGYDFEKUXFA-NRFANRHFSA-N 0 1 394.544 3.018 20 0 GGADMN O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@H]1NCCc2ccccc21 ZINC000237869754 1433430361 /nfs/dbraw/zinc/43/03/61/1433430361.db2.gz OLERHERRQPIXCN-FQEVSTJZSA-N 0 1 384.907 3.391 20 0 GGADMN O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1NCCc2ccccc21 ZINC000237869697 1433430456 /nfs/dbraw/zinc/43/04/56/1433430456.db2.gz OLERHERRQPIXCN-HXUWFJFHSA-N 0 1 384.907 3.391 20 0 GGADMN Cc1ccc(CNC(=O)[C@H]2NCCc3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000237873450 1433430500 /nfs/dbraw/zinc/43/05/00/1433430500.db2.gz YSXJEQJEAYJPML-UGKGYDQZSA-N 0 1 380.488 3.056 20 0 GGADMN O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)N1CCNCC1 ZINC000237888022 1433431972 /nfs/dbraw/zinc/43/19/72/1433431972.db2.gz MNGMIAGEXSERMA-UHFFFAOYSA-N 0 1 397.482 3.192 20 0 GGADMN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1NCCc2ccccc21 ZINC000237896125 1433432238 /nfs/dbraw/zinc/43/22/38/1433432238.db2.gz YRYMLOQQFJTPPQ-JTHBVZDNSA-N 0 1 386.499 3.312 20 0 GGADMN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1NCCc2ccccc21 ZINC000237894004 1433432282 /nfs/dbraw/zinc/43/22/82/1433432282.db2.gz GWYKHHZLEIFDLX-GOSISDBHSA-N 0 1 378.394 3.269 20 0 GGADMN O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000237901834 1433432772 /nfs/dbraw/zinc/43/27/72/1433432772.db2.gz LZLCEBFJJLRKFA-QNBRMCRTSA-N 0 1 399.516 3.347 20 0 GGADMN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1Cc2ccccc2CN1 ZINC000237914409 1433434147 /nfs/dbraw/zinc/43/41/47/1433434147.db2.gz MIINRTGJNKPDRJ-FQEVSTJZSA-N 0 1 387.487 3.325 20 0 GGADMN O=C(CNCc1ccc(OC[C@@H]2CCCO2)cc1)N1CCCc2ccccc21 ZINC000237947566 1433436521 /nfs/dbraw/zinc/43/65/21/1433436521.db2.gz QTCAGQNZMPMRJN-NRFANRHFSA-N 0 1 380.488 3.313 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)[C@@H]1Cc2ccccc2CN1 ZINC000237952451 1433436853 /nfs/dbraw/zinc/43/68/53/1433436853.db2.gz VRFXFSUJSNWBQA-NRFANRHFSA-N 0 1 377.488 3.356 20 0 GGADMN NCc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 ZINC000237964356 1433437462 /nfs/dbraw/zinc/43/74/62/1433437462.db2.gz UHJFCQZVOCFVPQ-UHFFFAOYSA-N 0 1 382.382 3.235 20 0 GGADMN [NH3+]CCCCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000237990017 1433438236 /nfs/dbraw/zinc/43/82/36/1433438236.db2.gz DFNQVJJXALQMDL-UHFFFAOYSA-N 0 1 389.521 3.013 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000237993970 1433438589 /nfs/dbraw/zinc/43/85/89/1433438589.db2.gz DNKXFLLXKJQROE-NHCUHLMSSA-N 0 1 384.907 3.327 20 0 GGADMN N[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238033260 1433439976 /nfs/dbraw/zinc/43/99/76/1433439976.db2.gz FXLXTKXVNRVFFA-MJGOQNOKSA-N 0 1 375.875 3.260 20 0 GGADMN O=S(=O)(c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1)N1CCCC1 ZINC000238071892 1433441729 /nfs/dbraw/zinc/44/17/29/1433441729.db2.gz PLKAKJYGTSTGPL-UHFFFAOYSA-N 0 1 380.897 3.120 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000238067975 1433441760 /nfs/dbraw/zinc/44/17/60/1433441760.db2.gz GYHGXAYZBPBOBX-SFHVURJKSA-N 0 1 390.405 3.095 20 0 GGADMN [NH3+]Cc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cs1 ZINC000238077640 1433442137 /nfs/dbraw/zinc/44/21/37/1433442137.db2.gz PIOWZCBPBHEEEF-UHFFFAOYSA-N 0 1 384.549 3.263 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000238104556 1433443179 /nfs/dbraw/zinc/44/31/79/1433443179.db2.gz DNKXFLLXKJQROE-SFTDATJTSA-N 0 1 384.907 3.327 20 0 GGADMN O=C(Nc1ccc(CNCc2cccc3c2OCCO3)cc1)c1cccnc1 ZINC000238107931 1433443220 /nfs/dbraw/zinc/44/32/20/1433443220.db2.gz OBIRRZFJTDMYSV-UHFFFAOYSA-N 0 1 375.428 3.395 20 0 GGADMN CN1CCN(c2ccc(NC(=O)C(C)(C)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000242550809 1433446807 /nfs/dbraw/zinc/44/68/07/1433446807.db2.gz CAZQBHQEHNRJML-UHFFFAOYSA-N 0 1 381.476 3.083 20 0 GGADMN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000243651953 1433450294 /nfs/dbraw/zinc/45/02/94/1433450294.db2.gz PACRLISQSZKGTF-UHFFFAOYSA-N 0 1 384.379 3.398 20 0 GGADMN COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000243815242 1433451051 /nfs/dbraw/zinc/45/10/51/1433451051.db2.gz QSAUOCDYEIEPFY-UHFFFAOYSA-N 0 1 383.492 3.157 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245200276 1433454287 /nfs/dbraw/zinc/45/42/87/1433454287.db2.gz JIZWAQZGGNGRRD-HKUYNNGSSA-N 0 1 389.540 3.443 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245200059 1433454299 /nfs/dbraw/zinc/45/42/99/1433454299.db2.gz HCBBEJNEUKVVKH-HOTGVXAUSA-N 0 1 393.503 3.192 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000245200289 1433454430 /nfs/dbraw/zinc/45/44/30/1433454430.db2.gz JKUKYEMNIGWHQQ-GJZGRUSLSA-N 0 1 395.931 3.364 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000245202214 1433455280 /nfs/dbraw/zinc/45/52/80/1433455280.db2.gz XLMVGMNPSPVHRN-SQNIBIBYSA-N 0 1 389.540 3.141 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000245388445 1433457229 /nfs/dbraw/zinc/45/72/29/1433457229.db2.gz CYCMOMYRJCIBGT-VQIMIIECSA-N 0 1 375.513 3.041 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](C2OCCO2)C1)c1ccc(Cl)cc1Cl ZINC000245388113 1433457380 /nfs/dbraw/zinc/45/73/80/1433457380.db2.gz BTMPJNFYGYFOQA-CHWSQXEVSA-N 0 1 387.307 3.256 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245390887 1433458047 /nfs/dbraw/zinc/45/80/47/1433458047.db2.gz NSADAUMAFTZKPN-HZPDHXFCSA-N 0 1 379.932 3.001 20 0 GGADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000245391781 1433458368 /nfs/dbraw/zinc/45/83/68/1433458368.db2.gz RRPDEESGHFIEBY-NQIIRXRSSA-N 0 1 396.487 3.460 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245392175 1433458650 /nfs/dbraw/zinc/45/86/50/1433458650.db2.gz SORJODRERCKVDN-BZSNNMDCSA-N 0 1 391.581 3.284 20 0 GGADMN O=C(CN1CCC[C@@H](C2OCCO2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000245393743 1433459178 /nfs/dbraw/zinc/45/91/78/1433459178.db2.gz WMALYQQCNHPLCL-FGZHOGPDSA-N 0 1 394.515 3.172 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000245393321 1433459204 /nfs/dbraw/zinc/45/92/04/1433459204.db2.gz VQQNLBOYYFUIRQ-HBFSDRIKSA-N 0 1 387.568 3.443 20 0 GGADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000245394137 1433459275 /nfs/dbraw/zinc/45/92/75/1433459275.db2.gz XHQSKASDFKUOQH-FPOVZHCZSA-N 0 1 387.568 3.171 20 0 GGADMN C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000245395500 1433459522 /nfs/dbraw/zinc/45/95/22/1433459522.db2.gz ZZPPHSSWZQJCCQ-IXDOHACOSA-N 0 1 376.520 3.326 20 0 GGADMN C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000245395499 1433459529 /nfs/dbraw/zinc/45/95/29/1433459529.db2.gz ZZPPHSSWZQJCCQ-BRWVUGGUSA-N 0 1 376.520 3.326 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000245396807 1433459896 /nfs/dbraw/zinc/45/98/96/1433459896.db2.gz MRDZCMYQCSVNPP-KSFYIVLOSA-N 0 1 389.515 3.151 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000245396806 1433459995 /nfs/dbraw/zinc/45/99/95/1433459995.db2.gz MRDZCMYQCSVNPP-AOMKIAJQSA-N 0 1 389.515 3.151 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000245401481 1433460740 /nfs/dbraw/zinc/46/07/40/1433460740.db2.gz ZYIVQTVVNIYUNA-MBSDFSHPSA-N 0 1 385.552 3.402 20 0 GGADMN COC(=O)[C@@H]1CCCN(CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245404519 1433461329 /nfs/dbraw/zinc/46/13/29/1433461329.db2.gz PMQPENQMJUQYCD-QUCCMNQESA-N 0 1 388.508 3.024 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245408794 1433462080 /nfs/dbraw/zinc/46/20/80/1433462080.db2.gz IYHXGELYZAZOIG-HTAPYJJXSA-N 0 1 395.503 3.271 20 0 GGADMN COc1ccc(CCNC(=O)[C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245413276 1433462988 /nfs/dbraw/zinc/46/29/88/1433462988.db2.gz BHYRHPRVPCLVAX-PNLZDCPESA-N 0 1 382.504 3.444 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1n1cccn1)N1CCc2ccccc2C1 ZINC000245414312 1433463563 /nfs/dbraw/zinc/46/35/63/1433463563.db2.gz CFCYNTJTAKWVFK-JRGCBEDISA-N 0 1 381.524 3.113 20 0 GGADMN COC[C@@H](NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2)c1ccco1 ZINC000245426683 1433465799 /nfs/dbraw/zinc/46/57/99/1433465799.db2.gz GKOODOXWDOYMSW-DNVCBOLYSA-N 0 1 399.491 3.082 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)C(=O)N(C)Cc3ccccc3)C2)nc1 ZINC000245435267 1433466975 /nfs/dbraw/zinc/46/69/75/1433466975.db2.gz QGKAHNGMFHEAIL-QUCCMNQESA-N 0 1 394.519 3.088 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000245442286 1433468606 /nfs/dbraw/zinc/46/86/06/1433468606.db2.gz HWQKGVPQFNWNIW-WMZHIEFXSA-N 0 1 388.552 3.409 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000245456076 1433471400 /nfs/dbraw/zinc/47/14/00/1433471400.db2.gz BBOXLYRSAFZSSS-WOIUINJBSA-N 0 1 399.579 3.407 20 0 GGADMN Cc1cc(C)cc(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000245456358 1433471594 /nfs/dbraw/zinc/47/15/94/1433471594.db2.gz BHJSIMNLYKUFFP-BNJIMDBKSA-N 0 1 375.534 3.474 20 0 GGADMN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)[C@@H]1CCCCN1Cc1ccccc1 ZINC000245468275 1433473859 /nfs/dbraw/zinc/47/38/59/1433473859.db2.gz SYDTYTGIVHCNNB-FPOVZHCZSA-N 0 1 377.488 3.283 20 0 GGADMN COc1cccc(COC[C@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000245465946 1433473896 /nfs/dbraw/zinc/47/38/96/1433473896.db2.gz IZGJZZYPFFSMPC-OIXWISFJSA-N 0 1 391.533 3.003 20 0 GGADMN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245471048 1433474216 /nfs/dbraw/zinc/47/42/16/1433474216.db2.gz NNSHGLMPEGLERE-MIRXNBLZSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000245475461 1433475031 /nfs/dbraw/zinc/47/50/31/1433475031.db2.gz RXLCMPZOOMKHAE-BNJIMDBKSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000245475458 1433475125 /nfs/dbraw/zinc/47/51/25/1433475125.db2.gz RXLCMPZOOMKHAE-AZZGJVAJSA-N 0 1 375.534 3.474 20 0 GGADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000245481156 1433475506 /nfs/dbraw/zinc/47/55/06/1433475506.db2.gz CDWWDFVYAQVCKV-CVEARBPZSA-N 0 1 390.915 3.495 20 0 GGADMN COc1ccccc1COC[C@H](O)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245482458 1433475924 /nfs/dbraw/zinc/47/59/24/1433475924.db2.gz ZHYPXMRSEJPIJM-OVBXVEMXSA-N 0 1 391.533 3.003 20 0 GGADMN O=C(Nc1cccc2cccnc21)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000245485206 1433476414 /nfs/dbraw/zinc/47/64/14/1433476414.db2.gz IYWOXMAOWPASPH-CTNGQTDRSA-N 0 1 390.487 3.239 20 0 GGADMN O=C(Nc1nc(C2CC2)cs1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245499952 1433477882 /nfs/dbraw/zinc/47/78/82/1433477882.db2.gz ZEJWAOUVQYJUSJ-IRXDYDNUSA-N 0 1 386.521 3.025 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000245505037 1433478614 /nfs/dbraw/zinc/47/86/14/1433478614.db2.gz LJYMICANRNVCIO-DFGXFYAUSA-N 0 1 387.524 3.057 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000245505039 1433478645 /nfs/dbraw/zinc/47/86/45/1433478645.db2.gz LJYMICANRNVCIO-KYHPRHEASA-N 0 1 387.524 3.057 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)N1CCCC1 ZINC000245507111 1433478805 /nfs/dbraw/zinc/47/88/05/1433478805.db2.gz PITKNYZYIDHWSX-SFNKJDCFSA-N 0 1 375.513 3.087 20 0 GGADMN O=C1[C@H](N2CCC[C@@H](C3OCCO3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245527197 1433481241 /nfs/dbraw/zinc/48/12/41/1433481241.db2.gz BANOBMOOGOILAN-MLGOLLRUSA-N 0 1 385.291 3.184 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccn1C1CCCC1 ZINC000245529529 1433481439 /nfs/dbraw/zinc/48/14/39/1433481439.db2.gz RRAWHQYXAZXSOK-FPOVZHCZSA-N 0 1 381.520 3.216 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@H]2CCCC[C@H]2O)cs1 ZINC000245533876 1433481940 /nfs/dbraw/zinc/48/19/40/1433481940.db2.gz DRSUVSMJHZYZLW-WIYYLYMNSA-N 0 1 399.560 3.491 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@H]1CCCC[C@@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000245545675 1433483303 /nfs/dbraw/zinc/48/33/03/1433483303.db2.gz LUUKJGBJXVYAON-LXZKKBNFSA-N 0 1 388.430 3.245 20 0 GGADMN O=C1[C@H](N2CCC[C@@H](Cn3cncn3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245552662 1433483939 /nfs/dbraw/zinc/48/39/39/1433483939.db2.gz QOTXCIFLDHLYHW-CXAGYDPISA-N 0 1 394.306 3.102 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245568443 1433486495 /nfs/dbraw/zinc/48/64/95/1433486495.db2.gz YCNBIOAQNARBLW-UWJYYQICSA-N 0 1 398.551 3.280 20 0 GGADMN Cc1cccc2c(CC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)c[nH]c21 ZINC000245571978 1433486846 /nfs/dbraw/zinc/48/68/46/1433486846.db2.gz CASWEYDJMTZLGN-SIKLNZKXSA-N 0 1 391.515 3.018 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)c1 ZINC000245574355 1433487137 /nfs/dbraw/zinc/48/71/37/1433487137.db2.gz HIUNLXJFGXAHPU-HHXXYDBFSA-N 0 1 383.496 3.120 20 0 GGADMN Cc1nsc(N2CCCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)n1 ZINC000245582432 1433487784 /nfs/dbraw/zinc/48/77/84/1433487784.db2.gz CXDSUMJKCCEOIO-LJQANCHMSA-N 0 1 388.537 3.117 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCN1C[C@H](C)O ZINC000245585408 1433488025 /nfs/dbraw/zinc/48/80/25/1433488025.db2.gz LZZYIKXWDGAECA-GOEBONIOSA-N 0 1 379.476 3.066 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CCN1C[C@H](C)O ZINC000245587033 1433488380 /nfs/dbraw/zinc/48/83/80/1433488380.db2.gz JSTLTGLBENRIPU-PKOBYXMFSA-N 0 1 399.539 3.106 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H]3CCN(c4ccccc4)C3=O)ccc2NC1=O ZINC000245588939 1433488560 /nfs/dbraw/zinc/48/85/60/1433488560.db2.gz ATHWQCRNXVDFOW-CCKFTAQKSA-N 0 1 379.460 3.252 20 0 GGADMN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245593529 1433488872 /nfs/dbraw/zinc/48/88/72/1433488872.db2.gz QVLSNMKRTBBHRK-ZGXWSNOMSA-N 0 1 384.545 3.159 20 0 GGADMN Cc1ccc2cc(C(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)ccc2n1 ZINC000245600273 1433489412 /nfs/dbraw/zinc/48/94/12/1433489412.db2.gz UYASKNRPGZQVKD-JTHBVZDNSA-N 0 1 389.499 3.156 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245615795 1433491415 /nfs/dbraw/zinc/49/14/15/1433491415.db2.gz CVVCISFPNYVTJK-MOPGFXCFSA-N 0 1 383.517 3.299 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245615795 1433491416 /nfs/dbraw/zinc/49/14/16/1433491416.db2.gz CVVCISFPNYVTJK-MOPGFXCFSA-N 0 1 383.517 3.299 20 0 GGADMN CCCc1csc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 ZINC000245630956 1433493207 /nfs/dbraw/zinc/49/32/07/1433493207.db2.gz UHDQAAMXGMSRLZ-WMZOPIPTSA-N 0 1 388.537 3.100 20 0 GGADMN COc1ccc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1OC ZINC000245652845 1433495651 /nfs/dbraw/zinc/49/56/51/1433495651.db2.gz BXRIYVYCZLTBLZ-KXBFYZLASA-N 0 1 383.492 3.327 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000245655057 1433496082 /nfs/dbraw/zinc/49/60/82/1433496082.db2.gz DHEXAYURFWQUDA-DAYGRLMNSA-N 0 1 383.895 3.292 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000245655057 1433496084 /nfs/dbraw/zinc/49/60/84/1433496084.db2.gz DHEXAYURFWQUDA-DAYGRLMNSA-N 0 1 383.895 3.292 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000245655064 1433496200 /nfs/dbraw/zinc/49/62/00/1433496200.db2.gz DHEXAYURFWQUDA-RKVPGOIHSA-N 0 1 383.895 3.292 20 0 GGADMN CSCCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000245666026 1433497175 /nfs/dbraw/zinc/49/71/75/1433497175.db2.gz QYEQUKVIGHZEAA-WOJBJXKFSA-N 0 1 397.544 3.092 20 0 GGADMN CSCCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000245666026 1433497179 /nfs/dbraw/zinc/49/71/79/1433497179.db2.gz QYEQUKVIGHZEAA-WOJBJXKFSA-N 0 1 397.544 3.092 20 0 GGADMN CCC(O)(CC)CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245668452 1433497541 /nfs/dbraw/zinc/49/75/41/1433497541.db2.gz HMOJVXQKBLEBHY-YOEHRIQHSA-N 0 1 385.911 3.322 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc3n[nH]nc3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245671050 1433497821 /nfs/dbraw/zinc/49/78/21/1433497821.db2.gz IBDYLWNJDRNRKP-FZKQIMNGSA-N 0 1 387.846 3.173 20 0 GGADMN CN1CC[C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245673147 1433497841 /nfs/dbraw/zinc/49/78/41/1433497841.db2.gz ILHKDJWDOKKFJC-SFUIVIKGSA-N 0 1 397.922 3.322 20 0 GGADMN CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245676814 1433497999 /nfs/dbraw/zinc/49/79/99/1433497999.db2.gz UCNFIBQSHYJXIL-CTNGQTDRSA-N 0 1 395.503 3.222 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245681077 1433498595 /nfs/dbraw/zinc/49/85/95/1433498595.db2.gz JZVHRLBXWNXIAG-DKSSEZFCSA-N 0 1 385.911 3.178 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245681077 1433498598 /nfs/dbraw/zinc/49/85/98/1433498598.db2.gz JZVHRLBXWNXIAG-DKSSEZFCSA-N 0 1 385.911 3.178 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)NCc3cccs3)ccc2NC1=O ZINC000245682404 1433498706 /nfs/dbraw/zinc/49/87/06/1433498706.db2.gz GPIIFCFYLGSLPU-AHIWAGSCSA-N 0 1 387.505 3.213 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000245683927 1433498919 /nfs/dbraw/zinc/49/89/19/1433498919.db2.gz GTQCAJWVDXFGQU-KHYOSLBOSA-N 0 1 381.476 3.152 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000245690728 1433499994 /nfs/dbraw/zinc/49/99/94/1433499994.db2.gz KETKXFJWBNWJGD-SJLPKXTDSA-N 0 1 379.476 3.187 20 0 GGADMN CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245692814 1433500504 /nfs/dbraw/zinc/50/05/04/1433500504.db2.gz MAAWKGKYAOIQNI-JXFKEZNVSA-N 0 1 381.923 3.320 20 0 GGADMN CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245692979 1433500620 /nfs/dbraw/zinc/50/06/20/1433500620.db2.gz AVRDMGZARFVYTR-HZPDHXFCSA-N 0 1 386.500 3.355 20 0 GGADMN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245698548 1433501546 /nfs/dbraw/zinc/50/15/46/1433501546.db2.gz MYBHNSAOQBWKFL-STEAMIEHSA-N 0 1 397.922 3.274 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000245696269 1433501570 /nfs/dbraw/zinc/50/15/70/1433501570.db2.gz 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CCC[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCN1CCOC ZINC000245967478 1433551975 /nfs/dbraw/zinc/55/19/75/1433551975.db2.gz VULQTNOZSCYUNE-SQGPQFPESA-N 0 1 395.975 3.338 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C)CO1 ZINC000245975059 1433552435 /nfs/dbraw/zinc/55/24/35/1433552435.db2.gz OOFXQIPRSGSTMT-HRJSJKBJSA-N 0 1 383.895 3.291 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245991827 1433554961 /nfs/dbraw/zinc/55/49/61/1433554961.db2.gz XAJBYBUEYOFUSJ-TYCQWZJGSA-N 0 1 386.923 3.270 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1OC ZINC000245999731 1433556000 /nfs/dbraw/zinc/55/60/00/1433556000.db2.gz FXFBRUHCBTZFTP-AYBZRNKSSA-N 0 1 392.540 3.374 20 0 GGADMN CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000246000052 1433556106 /nfs/dbraw/zinc/55/61/06/1433556106.db2.gz DGVIVOYFYNGCBR-HOTGVXAUSA-N 0 1 392.519 3.353 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C[C@H]1CCCO1)[C@H]1CCSC1 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0 1 381.524 3.298 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccccn3)c2C1 ZINC000246064611 1433563971 /nfs/dbraw/zinc/56/39/71/1433563971.db2.gz BGIUXFSZDNYRDA-HZPDHXFCSA-N 0 1 380.492 3.258 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@H](c2ncccc2C)C(C)C)CCN1CCOC ZINC000246073949 1433565147 /nfs/dbraw/zinc/56/51/47/1433565147.db2.gz ZSLADFAXYQJESA-MOPGFXCFSA-N 0 1 376.545 3.229 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000246081665 1433565810 /nfs/dbraw/zinc/56/58/10/1433565810.db2.gz TZWCCJNHJMEYLJ-YZGWKJHDSA-N 0 1 390.524 3.068 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000246088759 1433566943 /nfs/dbraw/zinc/56/69/43/1433566943.db2.gz JDABDEBSBDYAQY-KURKYZTESA-N 0 1 387.480 3.307 20 0 GGADMN O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246092055 1433567074 /nfs/dbraw/zinc/56/70/74/1433567074.db2.gz KGAMRYOOODZTAR-LEWJYISDSA-N 0 1 397.519 3.326 20 0 GGADMN 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ZINC000246588320 1433635843 /nfs/dbraw/zinc/63/58/43/1433635843.db2.gz GMUVJDMTICZINC-ZIAGYGMSSA-N 0 1 381.402 3.036 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246591501 1433636031 /nfs/dbraw/zinc/63/60/31/1433636031.db2.gz IZQCTYOJAZEVFN-OALUTQOASA-N 0 1 387.568 3.183 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000246599789 1433637736 /nfs/dbraw/zinc/63/77/36/1433637736.db2.gz KJVNTADOWCOTID-VMAXQDLPSA-N 0 1 389.761 3.278 20 0 GGADMN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000246605979 1433638651 /nfs/dbraw/zinc/63/86/51/1433638651.db2.gz PGEQQNNGEKZDKY-KBRIMQKVSA-N 0 1 379.501 3.301 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C[C@@H]1C ZINC000246612407 1433639305 /nfs/dbraw/zinc/63/93/05/1433639305.db2.gz HUMUTRRAGWBLGM-ZGXWSNOMSA-N 0 1 397.563 3.447 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246618340 1433640308 /nfs/dbraw/zinc/64/03/08/1433640308.db2.gz RWGPJSQAXJBUIG-FRRDWIJNSA-N 0 1 399.322 3.491 20 0 GGADMN C[C@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)[C@H]1C ZINC000246635148 1433643219 /nfs/dbraw/zinc/64/32/19/1433643219.db2.gz HYQNWPGBXYUXKL-STQMWFEESA-N 0 1 381.402 3.345 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC000246637177 1433643566 /nfs/dbraw/zinc/64/35/66/1433643566.db2.gz RWYHVXUFUUHYSU-WMZOPIPTSA-N 0 1 376.472 3.154 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246648394 1433644536 /nfs/dbraw/zinc/64/45/36/1433644536.db2.gz QJPOVPCAZZBHRU-CVEARBPZSA-N 0 1 399.457 3.077 20 0 GGADMN OC[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246651594 1433645146 /nfs/dbraw/zinc/64/51/46/1433645146.db2.gz ZKQJSTGRWYIPRT-VQIMIIECSA-N 0 1 381.394 3.037 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000246657919 1433646128 /nfs/dbraw/zinc/64/61/28/1433646128.db2.gz CZPOUKIWMDJBOQ-CEXWTWQISA-N 0 1 398.551 3.480 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000246657919 1433646131 /nfs/dbraw/zinc/64/61/31/1433646131.db2.gz CZPOUKIWMDJBOQ-CEXWTWQISA-N 0 1 398.551 3.480 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246682036 1433649073 /nfs/dbraw/zinc/64/90/73/1433649073.db2.gz HEVAKTVJHJGCKL-QRVBRYPASA-N 0 1 387.568 3.169 20 0 GGADMN COCCN1[C@H](C)CN(CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)C[C@@H]1C ZINC000246683700 1433649564 /nfs/dbraw/zinc/64/95/64/1433649564.db2.gz LZCQDODPDDRWDW-HSALFYBXSA-N 0 1 389.584 3.103 20 0 GGADMN C[C@H](C(=O)NCc1cccs1)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246695372 1433650943 /nfs/dbraw/zinc/65/09/43/1433650943.db2.gz ROCTYDJDTBMTSS-XHSDSOJGSA-N 0 1 395.569 3.378 20 0 GGADMN CCS[C@H]1CCCCN([C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1 ZINC000246699416 1433651828 /nfs/dbraw/zinc/65/18/28/1433651828.db2.gz YGQWGZDYCJKFSN-MSOLQXFVSA-N 0 1 391.581 3.354 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000246710938 1433653462 /nfs/dbraw/zinc/65/34/62/1433653462.db2.gz GXRLEEJBFBHWGL-CRAIPNDOSA-N 0 1 383.467 3.392 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246709844 1433653550 /nfs/dbraw/zinc/65/35/50/1433653550.db2.gz ZNMLVALHMHBUQK-KFKAGJAMSA-N 0 1 396.453 3.380 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246709473 1433653647 /nfs/dbraw/zinc/65/36/47/1433653647.db2.gz NQGYSHFVPIJMGI-WBVHZDCISA-N 0 1 386.496 3.435 20 0 GGADMN COc1ccc(-c2noc([C@H](C)N3CCC[C@@H](c4nnc5n4CCC5)C3)n2)cc1 ZINC000246712970 1433654086 /nfs/dbraw/zinc/65/40/86/1433654086.db2.gz NVJOHYGGIGUCAZ-GOEBONIOSA-N 0 1 394.479 3.224 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000246724709 1433655889 /nfs/dbraw/zinc/65/58/89/1433655889.db2.gz INUAFSWDOSETQH-IFXJQAMLSA-N 0 1 381.925 3.340 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)CO[C@H]1CCOC1)c1ccccc1 ZINC000246726529 1433656179 /nfs/dbraw/zinc/65/61/79/1433656179.db2.gz XDQDXXQLVSNHRQ-LQBOVUBWSA-N 0 1 398.503 3.467 20 0 GGADMN C[C@H](C1CC1)N(C(=O)CN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000246745716 1433659057 /nfs/dbraw/zinc/65/90/57/1433659057.db2.gz VEUGDMCCUVEQTH-LZLYRXPVSA-N 0 1 393.572 3.401 20 0 GGADMN C[C@H](O)C[C@@H](CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000246746848 1433659061 /nfs/dbraw/zinc/65/90/61/1433659061.db2.gz VHCPSESWIDAOML-YSIASYRMSA-N 0 1 385.508 3.270 20 0 GGADMN CN(C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000246747282 1433659476 /nfs/dbraw/zinc/65/94/76/1433659476.db2.gz NAMSDGPPNPBXEP-WMLDXEAASA-N 0 1 398.334 3.151 20 0 GGADMN O=C(CN1CC[C@H]2OCCC[C@H]2C1)NCc1ccccc1COc1ccccc1 ZINC000246749338 1433659803 /nfs/dbraw/zinc/65/98/03/1433659803.db2.gz PNPOZBSZKSHHFN-NZQKXSOJSA-N 0 1 394.515 3.383 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246754590 1433660240 /nfs/dbraw/zinc/66/02/40/1433660240.db2.gz VRUMLPMYQQZTPD-SCTDSRPQSA-N 0 1 389.540 3.317 20 0 GGADMN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@](C)(c2ccccc2)C1 ZINC000246752805 1433660387 /nfs/dbraw/zinc/66/03/87/1433660387.db2.gz AGSFYNUOGFWATN-QRQCRPRQSA-N 0 1 378.476 3.237 20 0 GGADMN COCCN1[C@H](C)CN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C[C@@H]1C ZINC000246766460 1433662698 /nfs/dbraw/zinc/66/26/98/1433662698.db2.gz RAQFPHSVBKCWEH-SELNLUPBSA-N 0 1 387.568 3.075 20 0 GGADMN C[C@H]1CCN(C(=O)CSC[C@H]2CCCCO2)CCN1Cc1ccccc1 ZINC000246769709 1433663151 /nfs/dbraw/zinc/66/31/51/1433663151.db2.gz GDVVVOUOOXNYKB-AZUAARDMSA-N 0 1 376.566 3.412 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C ZINC000246772467 1433663762 /nfs/dbraw/zinc/66/37/62/1433663762.db2.gz RGJXJPROWFVVQU-FGTMMUONSA-N 0 1 375.557 3.352 20 0 GGADMN CC(C)Oc1cccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000246778184 1433664641 /nfs/dbraw/zinc/66/46/41/1433664641.db2.gz QSFGUPXTNXUSPY-JTHBVZDNSA-N 0 1 396.531 3.016 20 0 GGADMN CC(C)Oc1cccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000246778184 1433664645 /nfs/dbraw/zinc/66/46/45/1433664645.db2.gz QSFGUPXTNXUSPY-JTHBVZDNSA-N 0 1 396.531 3.016 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000246785671 1433666832 /nfs/dbraw/zinc/66/68/32/1433666832.db2.gz RYLNYUZMNRVSOR-HZSPNIEDSA-N 0 1 388.339 3.361 20 0 GGADMN COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)cc1 ZINC000246793643 1433667838 /nfs/dbraw/zinc/66/78/38/1433667838.db2.gz QJXUFDVFMLUROP-NZQKXSOJSA-N 0 1 381.472 3.254 20 0 GGADMN C[C@@H](CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)NC(=O)C1CCCC1 ZINC000246794280 1433667991 /nfs/dbraw/zinc/66/79/91/1433667991.db2.gz JICRKCYUOQEXCW-OALUTQOASA-N 0 1 385.552 3.194 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000246793160 1433668097 /nfs/dbraw/zinc/66/80/97/1433668097.db2.gz XSKKKPDTCAFMFX-SCTDSRPQSA-N 0 1 387.524 3.417 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000246793160 1433668098 /nfs/dbraw/zinc/66/80/98/1433668098.db2.gz XSKKKPDTCAFMFX-SCTDSRPQSA-N 0 1 387.524 3.417 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000246803233 1433669888 /nfs/dbraw/zinc/66/98/88/1433669888.db2.gz RERKIZJIKRDSDN-QUCCMNQESA-N 0 1 387.568 3.298 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(F)cc1Cl ZINC000246801676 1433669919 /nfs/dbraw/zinc/66/99/19/1433669919.db2.gz RQPXNRXGMLCIML-KXBFYZLASA-N 0 1 376.859 3.092 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246804231 1433670424 /nfs/dbraw/zinc/67/04/24/1433670424.db2.gz REHZZTKGLZMFOU-YWTNHNAXSA-N 0 1 377.504 3.212 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)CCO2)n[nH]1 ZINC000246805704 1433670481 /nfs/dbraw/zinc/67/04/81/1433670481.db2.gz AXWAMRJPEKAXNF-KKUMJFAQSA-N 0 1 394.397 3.090 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000246806341 1433671102 /nfs/dbraw/zinc/67/11/02/1433671102.db2.gz RFFVJNGREWLYQG-INMHGKMJSA-N 0 1 381.451 3.377 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000246806313 1433671130 /nfs/dbraw/zinc/67/11/30/1433671130.db2.gz RFFVJNGREWLYQG-BFYDXBDKSA-N 0 1 381.451 3.377 20 0 GGADMN C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000246815321 1433672883 /nfs/dbraw/zinc/67/28/83/1433672883.db2.gz NLZNYOPAKYHPLJ-DOTOQJQBSA-N 0 1 386.471 3.456 20 0 GGADMN C[C@@H](C(=O)N1CCCCC1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000246815321 1433672890 /nfs/dbraw/zinc/67/28/90/1433672890.db2.gz NLZNYOPAKYHPLJ-DOTOQJQBSA-N 0 1 386.471 3.456 20 0 GGADMN CCOc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246822948 1433674181 /nfs/dbraw/zinc/67/41/81/1433674181.db2.gz SGQACRHWHZCQDM-RXVVDRJESA-N 0 1 383.492 3.090 20 0 GGADMN CCOc1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246822948 1433674184 /nfs/dbraw/zinc/67/41/84/1433674184.db2.gz SGQACRHWHZCQDM-RXVVDRJESA-N 0 1 383.492 3.090 20 0 GGADMN Cc1cccc(CNC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000246826505 1433674994 /nfs/dbraw/zinc/67/49/94/1433674994.db2.gz ZDRLAUSMKDKLNA-PKOBYXMFSA-N 0 1 389.540 3.236 20 0 GGADMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)c1ccccc1Br ZINC000246833257 1433675916 /nfs/dbraw/zinc/67/59/16/1433675916.db2.gz UWDDWSKBCQGAJN-SWLSCSKDSA-N 0 1 387.318 3.328 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000246842295 1433677128 /nfs/dbraw/zinc/67/71/28/1433677128.db2.gz VGNTZOWFPPCWTB-SJORKVTESA-N 0 1 376.497 3.468 20 0 GGADMN C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000246849040 1433678034 /nfs/dbraw/zinc/67/80/34/1433678034.db2.gz OZQIRDGIYVSLFA-GPMSIDNRSA-N 0 1 386.496 3.011 20 0 GGADMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000246849431 1433678068 /nfs/dbraw/zinc/67/80/68/1433678068.db2.gz DIRLVIUUWBZZSB-HFJWLAOPSA-N 0 1 377.554 3.436 20 0 GGADMN CC(C)Oc1ccccc1CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000246849138 1433678279 /nfs/dbraw/zinc/67/82/79/1433678279.db2.gz TXYFUWRQWAQYCW-VXKWHMMOSA-N 0 1 396.531 3.016 20 0 GGADMN C[C@H](C[C@H](O)c1ccco1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000246849051 1433678302 /nfs/dbraw/zinc/67/83/02/1433678302.db2.gz OZQIRDGIYVSLFA-MDZRGWNJSA-N 0 1 386.496 3.011 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(F)c(F)cc1Cl ZINC000246873779 1433680886 /nfs/dbraw/zinc/68/08/86/1433680886.db2.gz URNQCKGRYJMDRV-LIRRHRJNSA-N 0 1 394.849 3.231 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C[C@H]1CCC[C@H]1O ZINC000246872560 1433680961 /nfs/dbraw/zinc/68/09/61/1433680961.db2.gz QYUSNEOUSVSZQU-RHSMWYFYSA-N 0 1 387.505 3.032 20 0 GGADMN CN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C[C@H]1CCC[C@H]1O ZINC000246872560 1433680962 /nfs/dbraw/zinc/68/09/62/1433680962.db2.gz QYUSNEOUSVSZQU-RHSMWYFYSA-N 0 1 387.505 3.032 20 0 GGADMN Cc1cccc2[nH]cc(CC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CO)c21 ZINC000246875201 1433681310 /nfs/dbraw/zinc/68/13/10/1433681310.db2.gz UTJGBCISMJSGSX-UGKGYDQZSA-N 0 1 391.515 3.018 20 0 GGADMN Cc1cccc2[nH]cc(CC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@H]3CO)c21 ZINC000246875201 1433681313 /nfs/dbraw/zinc/68/13/13/1433681313.db2.gz UTJGBCISMJSGSX-UGKGYDQZSA-N 0 1 391.515 3.018 20 0 GGADMN COCC[N@@H+]1[C@H](C)CN([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000246909646 1433685947 /nfs/dbraw/zinc/68/59/47/1433685947.db2.gz XXZOZOMWSSGRSW-OWCLPIDISA-N 0 1 392.931 3.416 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000246909646 1433685951 /nfs/dbraw/zinc/68/59/51/1433685951.db2.gz XXZOZOMWSSGRSW-OWCLPIDISA-N 0 1 392.931 3.416 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1(C)C ZINC000246909081 1433686029 /nfs/dbraw/zinc/68/60/29/1433686029.db2.gz HPQVTPVSYIVJST-ZHALLVOQSA-N 0 1 387.549 3.484 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000246911815 1433686404 /nfs/dbraw/zinc/68/64/04/1433686404.db2.gz RREKYMYGOPTXMG-GCJKJVERSA-N 0 1 399.560 3.062 20 0 GGADMN O=C(Cc1c(F)cccc1Cl)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000246913812 1433686420 /nfs/dbraw/zinc/68/64/20/1433686420.db2.gz VYXZKAZSEHPGFS-UZLBHIALSA-N 0 1 390.886 3.021 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000246911852 1433686586 /nfs/dbraw/zinc/68/65/86/1433686586.db2.gz RREKYMYGOPTXMG-XMSQKQJNSA-N 0 1 399.560 3.062 20 0 GGADMN C[N@H+]1CCC[C@H](CNC=C2C(=O)NC(=O)c3ccccc32)[C@H]1c1cccs1 ZINC000247200559 1433690488 /nfs/dbraw/zinc/69/04/88/1433690488.db2.gz BUXHXMFSPJNTFX-AYKKCLASSA-N 0 1 381.501 3.032 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000247212290 1433691463 /nfs/dbraw/zinc/69/14/63/1433691463.db2.gz XZXXWCSVBVSKKD-HRFSGMKKSA-N 0 1 383.513 3.449 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000247226338 1433692900 /nfs/dbraw/zinc/69/29/00/1433692900.db2.gz TZBJLWSNGODLEF-DLRJPAPCSA-N 0 1 376.516 3.464 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(F)c1 ZINC000247231269 1433694269 /nfs/dbraw/zinc/69/42/69/1433694269.db2.gz ZIFRXXJZRKNGBE-NCXUSEDFSA-N 0 1 375.488 3.075 20 0 GGADMN CN(Cc1ccccc1F)C(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247239476 1433694987 /nfs/dbraw/zinc/69/49/87/1433694987.db2.gz SWCKHJOOACJLEJ-SJLPKXTDSA-N 0 1 376.497 3.434 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247250998 1433696461 /nfs/dbraw/zinc/69/64/61/1433696461.db2.gz UMMVQCJXESRGGK-MKXGPGLRSA-N 0 1 394.581 3.348 20 0 GGADMN Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000247265953 1433697945 /nfs/dbraw/zinc/69/79/45/1433697945.db2.gz RJVWKOJGPVAXST-RTBURBONSA-N 0 1 383.540 3.134 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247263535 1433697948 /nfs/dbraw/zinc/69/79/48/1433697948.db2.gz VMLFNOAEAWMBAU-LSDHHAIUSA-N 0 1 381.542 3.041 20 0 GGADMN CC(C)(C)NC(=O)NC(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247263535 1433697950 /nfs/dbraw/zinc/69/79/50/1433697950.db2.gz VMLFNOAEAWMBAU-LSDHHAIUSA-N 0 1 381.542 3.041 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000247276326 1433699580 /nfs/dbraw/zinc/69/95/80/1433699580.db2.gz SNMPHCOKMWYBRZ-XHSDSOJGSA-N 0 1 393.487 3.425 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCCC1 ZINC000247308548 1433703651 /nfs/dbraw/zinc/70/36/51/1433703651.db2.gz IDUAXOWXBUWDJT-RBAQFSTRSA-N 0 1 387.524 3.089 20 0 GGADMN CSc1ccccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000247319095 1433705578 /nfs/dbraw/zinc/70/55/78/1433705578.db2.gz GGANPZPQPZEJCW-PKOBYXMFSA-N 0 1 385.533 3.413 20 0 GGADMN O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccco1)NCCOc1ccccc1 ZINC000247321066 1433706032 /nfs/dbraw/zinc/70/60/32/1433706032.db2.gz GBJVWPKLOFQBBG-AZUAARDMSA-N 0 1 386.492 3.143 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@@H](O)c2ccco2)N2CCCC2)o1 ZINC000247322400 1433706059 /nfs/dbraw/zinc/70/60/59/1433706059.db2.gz GCJXSUOULSKWIO-HYVNUMGLSA-N 0 1 375.469 3.129 20 0 GGADMN O=C(Nc1cc(Cl)ccc1F)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000247324674 1433706621 /nfs/dbraw/zinc/70/66/21/1433706621.db2.gz GNYGGJIJOVATDE-BEFAXECRSA-N 0 1 391.874 3.484 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CSCCS1 ZINC000247328898 1433707541 /nfs/dbraw/zinc/70/75/41/1433707541.db2.gz YJYPMNMDXHCBHU-LSDHHAIUSA-N 0 1 390.496 3.245 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247354654 1433711852 /nfs/dbraw/zinc/71/18/52/1433711852.db2.gz GXDCXTJLHDDBKJ-IFMALSPDSA-N 0 1 380.536 3.429 20 0 GGADMN CNC(=O)[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000247402779 1433717431 /nfs/dbraw/zinc/71/74/31/1433717431.db2.gz BLMUZPKQBUAAMS-GHTZIAJQSA-N 0 1 399.922 3.004 20 0 GGADMN Cc1cc2cc(NC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)ccc2[nH]1 ZINC000247404503 1433718052 /nfs/dbraw/zinc/71/80/52/1433718052.db2.gz IYAOKTDPVNEBIE-PGRDOPGGSA-N 0 1 392.503 3.481 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CC[C@H]2OCCC[C@H]2C1)N1CCCC1 ZINC000247407878 1433718064 /nfs/dbraw/zinc/71/80/64/1433718064.db2.gz JDXJAEHZZQLZSC-YSIASYRMSA-N 0 1 387.524 3.043 20 0 GGADMN COc1ccc(COC[C@H](O)CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000247409042 1433718777 /nfs/dbraw/zinc/71/87/77/1433718777.db2.gz CBRXSVATVZYNQT-SVVKQXANSA-N 0 1 385.504 3.423 20 0 GGADMN COc1ccc(COC[C@H](O)CN2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC000247409007 1433718787 /nfs/dbraw/zinc/71/87/87/1433718787.db2.gz CBRXSVATVZYNQT-NNTZPNAXSA-N 0 1 385.504 3.423 20 0 GGADMN O=C(NCc1ccc(Cl)s1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000247425144 1433721039 /nfs/dbraw/zinc/72/10/39/1433721039.db2.gz KQUCJOSKSDTHKA-WBVHZDCISA-N 0 1 393.940 3.084 20 0 GGADMN Cc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1N(C)C ZINC000247433208 1433721751 /nfs/dbraw/zinc/72/17/51/1433721751.db2.gz LIRIKKZOJHTOFY-FPOVZHCZSA-N 0 1 396.535 3.066 20 0 GGADMN Cc1c([C@H](C)NC(=O)N2CCN(C)C[C@H]2C(C)C)cnn1-c1ccc(F)cc1 ZINC000247436511 1433722006 /nfs/dbraw/zinc/72/20/06/1433722006.db2.gz XEOWPZJQKRYEJW-YWZLYKJASA-N 0 1 387.503 3.362 20 0 GGADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2ccnc2)nc1 ZINC000247469136 1433726376 /nfs/dbraw/zinc/72/63/76/1433726376.db2.gz DSVAVEFLKVGMHG-UHFFFAOYSA-N 0 1 395.894 3.315 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC000247468779 1433726710 /nfs/dbraw/zinc/72/67/10/1433726710.db2.gz JBKLSQKXZNQQDR-WRWLIDTKSA-N 0 1 378.538 3.462 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000247485246 1433728029 /nfs/dbraw/zinc/72/80/29/1433728029.db2.gz KMIDJXIQTPATLL-UYAOXDASSA-N 0 1 382.504 3.411 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000247502927 1433730746 /nfs/dbraw/zinc/73/07/46/1433730746.db2.gz OAPZHRWLJXNXKE-NNTZPNAXSA-N 0 1 385.504 3.423 20 0 GGADMN CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000247515084 1433731731 /nfs/dbraw/zinc/73/17/31/1433731731.db2.gz KCALYTVHFMLDRE-DGCLKSJQSA-N 0 1 382.386 3.274 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000247515084 1433731738 /nfs/dbraw/zinc/73/17/38/1433731738.db2.gz KCALYTVHFMLDRE-DGCLKSJQSA-N 0 1 382.386 3.274 20 0 GGADMN CN1CC[N@H+](CCCNC(=O)c2c(F)cc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC000247528790 1433733390 /nfs/dbraw/zinc/73/33/90/1433733390.db2.gz XABYOCMGIPXBPY-LJQANCHMSA-N 0 1 391.437 3.213 20 0 GGADMN CCOCc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000247538874 1433734776 /nfs/dbraw/zinc/73/47/76/1433734776.db2.gz PWCOWQVOWKGHQV-RBBKRZOGSA-N 0 1 397.519 3.228 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000247543364 1433735476 /nfs/dbraw/zinc/73/54/76/1433735476.db2.gz QFSFIBXQWDTIOM-BOFXEDATSA-N 0 1 389.565 3.003 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000247546022 1433735607 /nfs/dbraw/zinc/73/56/07/1433735607.db2.gz KFLLANHZLHPCKY-LDQXTDLNSA-N 0 1 387.499 3.282 20 0 GGADMN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H](O)c1ccccc1F ZINC000247558950 1433737071 /nfs/dbraw/zinc/73/70/71/1433737071.db2.gz UMMOZUAHJAKJNS-SUMWQHHRSA-N 0 1 387.373 3.250 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)C[C@@H](C)O1 ZINC000247555410 1433737453 /nfs/dbraw/zinc/73/74/53/1433737453.db2.gz QQDLTPNHMKRLQP-ZHALLVOQSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247565589 1433738517 /nfs/dbraw/zinc/73/85/17/1433738517.db2.gz LBTWQFJODUSBIX-RTBURBONSA-N 0 1 386.492 3.273 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000247583916 1433739557 /nfs/dbraw/zinc/73/95/57/1433739557.db2.gz IUSCQZBRMKDJEW-HUUCEWRRSA-N 0 1 382.574 3.158 20 0 GGADMN Cc1nc(C)n(C[C@H]2CCCN([C@H](C)C(=O)Nc3cccc(Cl)c3)C2)n1 ZINC000247608282 1433739906 /nfs/dbraw/zinc/73/99/06/1433739906.db2.gz 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20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248417563 1433800985 /nfs/dbraw/zinc/80/09/85/1433800985.db2.gz RKZMLIZKNZVFQP-OIISXLGYSA-N 0 1 375.517 3.166 20 0 GGADMN C[C@H](CN(C)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nn[nH]n1 ZINC000248422358 1433801448 /nfs/dbraw/zinc/80/14/48/1433801448.db2.gz CDDWQWVSSMRSGQ-MCIONIFRSA-N 0 1 382.493 3.121 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C12CCCC2 ZINC000248420206 1433801513 /nfs/dbraw/zinc/80/15/13/1433801513.db2.gz WJLLZWSUJZIDRZ-IXDOHACOSA-N 0 1 387.528 3.309 20 0 GGADMN O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248423529 1433801629 /nfs/dbraw/zinc/80/16/29/1433801629.db2.gz ZGCPUFPVRWTUCZ-QZTJIDSGSA-N 0 1 394.523 3.240 20 0 GGADMN CC[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CCN1Cc1ccccc1 ZINC000248431648 1433802148 /nfs/dbraw/zinc/80/21/48/1433802148.db2.gz UHHWKKXKUXQQOB-ICSRJNTNSA-N 0 1 377.488 3.235 20 0 GGADMN 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/nfs/dbraw/zinc/80/32/22/1433803222.db2.gz DTFUTNRGMZPFRZ-LSDHHAIUSA-N 0 1 391.537 3.243 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2sc(-c3ccccc3)nc2C)CC[N@H+]1C[C@H](C)O ZINC000248458716 1433804421 /nfs/dbraw/zinc/80/44/21/1433804421.db2.gz QOUKEAMHQZLCDS-WMLDXEAASA-N 0 1 388.537 3.427 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2sc(-c3ccccc3)nc2C)CCN1C[C@H](C)O ZINC000248458716 1433804423 /nfs/dbraw/zinc/80/44/23/1433804423.db2.gz QOUKEAMHQZLCDS-WMLDXEAASA-N 0 1 388.537 3.427 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248458326 1433804428 /nfs/dbraw/zinc/80/44/28/1433804428.db2.gz MXUMTCYBIVVIGU-CHWSQXEVSA-N 0 1 393.484 3.237 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2sc(-c3ccccc3)nc2C)CC[N@H+]1C[C@H](C)O ZINC000248458717 1433804499 /nfs/dbraw/zinc/80/44/99/1433804499.db2.gz QOUKEAMHQZLCDS-YOEHRIQHSA-N 0 1 388.537 3.427 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2sc(-c3ccccc3)nc2C)CCN1C[C@H](C)O ZINC000248458717 1433804500 /nfs/dbraw/zinc/80/45/00/1433804500.db2.gz QOUKEAMHQZLCDS-YOEHRIQHSA-N 0 1 388.537 3.427 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248462227 1433804913 /nfs/dbraw/zinc/80/49/13/1433804913.db2.gz PRBUDDVJMFCQAW-HUUCEWRRSA-N 0 1 396.915 3.459 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C2(C)OCCO2)C1)c1cc2ccccc2o1 ZINC000248467116 1433805181 /nfs/dbraw/zinc/80/51/81/1433805181.db2.gz SQIHXEWJTIECAB-XYJFISCASA-N 0 1 386.492 3.474 20 0 GGADMN CC1([C@H]2CCCN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)OCCO1 ZINC000248477969 1433805517 /nfs/dbraw/zinc/80/55/17/1433805517.db2.gz YZRNMDURWAXBOB-RDJZCZTQSA-N 0 1 398.425 3.286 20 0 GGADMN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C[C@H]1C ZINC000248492368 1433805832 /nfs/dbraw/zinc/80/58/32/1433805832.db2.gz JIDZIZCGWSOKFZ-JFIYKMOQSA-N 0 1 389.565 3.115 20 0 GGADMN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000248515758 1433806545 /nfs/dbraw/zinc/80/65/45/1433806545.db2.gz GJABCIMLXWEZSZ-UIFIKXQLSA-N 0 1 388.556 3.500 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)cc12 ZINC000248516745 1433806562 /nfs/dbraw/zinc/80/65/62/1433806562.db2.gz HJTVDBWFYZLSGK-ICSRJNTNSA-N 0 1 377.444 3.241 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)cc12 ZINC000248516745 1433806563 /nfs/dbraw/zinc/80/65/63/1433806563.db2.gz HJTVDBWFYZLSGK-ICSRJNTNSA-N 0 1 377.444 3.241 20 0 GGADMN COC1(CNC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000248525453 1433806842 /nfs/dbraw/zinc/80/68/42/1433806842.db2.gz CNXWZSSIXJMQCK-WMLDXEAASA-N 0 1 383.895 3.340 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000248530095 1433807117 /nfs/dbraw/zinc/80/71/17/1433807117.db2.gz XEIWUHUDYNNDLC-YTQUADARSA-N 0 1 392.565 3.069 20 0 GGADMN C[C@H](O)[C@H]1CCN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000248536714 1433807582 /nfs/dbraw/zinc/80/75/82/1433807582.db2.gz GZUIZCWOQKNJAH-HFSMHLIXSA-N 0 1 391.515 3.119 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCN2CCCC[C@H]2C1)OC(C)C ZINC000248563990 1433808549 /nfs/dbraw/zinc/80/85/49/1433808549.db2.gz HNXYHGQBSOOYCP-FXAWDEMLSA-N 0 1 375.513 3.041 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C[C@@H]1C ZINC000248564257 1433808675 /nfs/dbraw/zinc/80/86/75/1433808675.db2.gz BJYMZEGKZQAZRV-DEYYWGMASA-N 0 1 399.457 3.253 20 0 GGADMN C[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cn(C)c2ccccc12 ZINC000248607466 1433810868 /nfs/dbraw/zinc/81/08/68/1433810868.db2.gz VPPXAIDWAUCHGX-DFQSSKMNSA-N 0 1 391.515 3.033 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@@H](O)CCc1ccccc1 ZINC000248611145 1433811186 /nfs/dbraw/zinc/81/11/86/1433811186.db2.gz XOLIHIVBFIKPGO-PZJWPPBQSA-N 0 1 382.504 3.400 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000248613464 1433811364 /nfs/dbraw/zinc/81/13/64/1433811364.db2.gz YEMAVXUDIAZIAT-ZULIPRJHSA-N 0 1 388.483 3.282 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN(C)[C@H](C)C[S@@](C)=O)c1ccccc1 ZINC000248613236 1433811374 /nfs/dbraw/zinc/81/13/74/1433811374.db2.gz JACMFWDFWBWIKE-DNOJHGRISA-N 0 1 389.561 3.161 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000248617280 1433811557 /nfs/dbraw/zinc/81/15/57/1433811557.db2.gz JHPJYFLAJUNGDL-CVEARBPZSA-N 0 1 378.538 3.075 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000248629864 1433812437 /nfs/dbraw/zinc/81/24/37/1433812437.db2.gz QFQLHXXGLXNDHA-ZACQAIPSSA-N 0 1 378.488 3.445 20 0 GGADMN CC[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000248636068 1433812913 /nfs/dbraw/zinc/81/29/13/1433812913.db2.gz UNYXRIBCKUFTDT-HFTRVMKXSA-N 0 1 394.479 3.359 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(Cl)n1 ZINC000248646113 1433813602 /nfs/dbraw/zinc/81/36/02/1433813602.db2.gz HEUQTGNEUHCILK-DOTOQJQBSA-N 0 1 393.940 3.375 20 0 GGADMN CCC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CCN1CCOC ZINC000248652538 1433813746 /nfs/dbraw/zinc/81/37/46/1433813746.db2.gz UADPRLZAXKKFCD-OAGGEKHMSA-N 0 1 384.442 3.167 20 0 GGADMN CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCN1CCOC ZINC000248652540 1433813886 /nfs/dbraw/zinc/81/38/86/1433813886.db2.gz UADPRLZAXKKFCD-OWCLPIDISA-N 0 1 384.442 3.167 20 0 GGADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000248679771 1433814867 /nfs/dbraw/zinc/81/48/67/1433814867.db2.gz NIMXCNNAUVQUOV-LUYZLQTOSA-N 0 1 386.414 3.067 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000248681056 1433815049 /nfs/dbraw/zinc/81/50/49/1433815049.db2.gz WIRXDPVXSJKQTO-HRCADAONSA-N 0 1 379.501 3.082 20 0 GGADMN C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000248681058 1433815062 /nfs/dbraw/zinc/81/50/62/1433815062.db2.gz WIRXDPVXSJKQTO-OWCLPIDISA-N 0 1 379.501 3.082 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000248682822 1433815204 /nfs/dbraw/zinc/81/52/04/1433815204.db2.gz XNDPWTBCFYHBDQ-GRDNDAEWSA-N 0 1 381.492 3.094 20 0 GGADMN COc1ccccc1N1CC[C@H]([N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000248705940 1433816179 /nfs/dbraw/zinc/81/61/79/1433816179.db2.gz ALCFMGORYFHAAD-QUCCMNQESA-N 0 1 396.487 3.187 20 0 GGADMN COc1ccccc1N1CC[C@H](N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000248705940 1433816180 /nfs/dbraw/zinc/81/61/80/1433816180.db2.gz ALCFMGORYFHAAD-QUCCMNQESA-N 0 1 396.487 3.187 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248705417 1433816185 /nfs/dbraw/zinc/81/61/85/1433816185.db2.gz ASLVKZUKHRCRIF-BEFAXECRSA-N 0 1 385.895 3.224 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248705417 1433816186 /nfs/dbraw/zinc/81/61/86/1433816186.db2.gz ASLVKZUKHRCRIF-BEFAXECRSA-N 0 1 385.895 3.224 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N[C@H](C)c1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000248706080 1433816245 /nfs/dbraw/zinc/81/62/45/1433816245.db2.gz HONSCDBYEJICHD-IERDGZPVSA-N 0 1 384.476 3.109 20 0 GGADMN CCN(C)[C@H](C(=O)N[C@H](C)c1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000248706080 1433816246 /nfs/dbraw/zinc/81/62/46/1433816246.db2.gz HONSCDBYEJICHD-IERDGZPVSA-N 0 1 384.476 3.109 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CSCC(=O)c1ccccc1 ZINC000248707576 1433816388 /nfs/dbraw/zinc/81/63/88/1433816388.db2.gz AYVFEFPBMLXNCL-FXAWDEMLSA-N 0 1 382.529 3.239 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000248709679 1433816619 /nfs/dbraw/zinc/81/66/19/1433816619.db2.gz BDDOZFWJTOTXTN-DYESRHJHSA-N 0 1 377.488 3.064 20 0 GGADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248715243 1433817097 /nfs/dbraw/zinc/81/70/97/1433817097.db2.gz BTQHNIGJNRNDDF-RDTXWAMCSA-N 0 1 395.532 3.102 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000248724701 1433817859 /nfs/dbraw/zinc/81/78/59/1433817859.db2.gz CRUIISOIZZPSBV-VGOFRKELSA-N 0 1 387.483 3.496 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000248734640 1433818564 /nfs/dbraw/zinc/81/85/64/1433818564.db2.gz DLVZGUZBYCLANN-PEQUMZMZSA-N 0 1 389.496 3.205 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@@H]1CCCc2sccc21 ZINC000248735622 1433818672 /nfs/dbraw/zinc/81/86/72/1433818672.db2.gz PSZGDNAMIVANKC-JENIJYKNSA-N 0 1 385.533 3.060 20 0 GGADMN COc1ccccc1N1CC[C@H](N(C)[C@H](C)c2ccc(-n3cncn3)cc2)C1=O ZINC000248736112 1433818792 /nfs/dbraw/zinc/81/87/92/1433818792.db2.gz KTVGJTAJSIKFKP-UZLBHIALSA-N 0 1 391.475 3.074 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000248741163 1433819022 /nfs/dbraw/zinc/81/90/22/1433819022.db2.gz AWYXCFMOFHFMNO-TXCZRRACSA-N 0 1 384.442 3.424 20 0 GGADMN CCCNC(=O)[C@@H]1CCCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000248742085 1433819259 /nfs/dbraw/zinc/81/92/59/1433819259.db2.gz RTAMDJJAOJRVEF-PBHICJAKSA-N 0 1 397.441 3.049 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000248742437 1433819383 /nfs/dbraw/zinc/81/93/83/1433819383.db2.gz IUGRRRLPBNZXGO-ICSRJNTNSA-N 0 1 386.467 3.195 20 0 GGADMN CCOC(=O)C1CCC(O)(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000248756881 1433820274 /nfs/dbraw/zinc/82/02/74/1433820274.db2.gz HRBPAUXZAXPBNA-CSLHUZTASA-N 0 1 379.472 3.072 20 0 GGADMN CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248756831 1433820392 /nfs/dbraw/zinc/82/03/92/1433820392.db2.gz LQYGMXCIXJUTMA-AFIMGQEJSA-N 0 1 383.895 3.339 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000248758091 1433820553 /nfs/dbraw/zinc/82/05/53/1433820553.db2.gz LZVLVCAUDSGEIP-XUEUYAKLSA-N 0 1 394.515 3.370 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000248761782 1433820728 /nfs/dbraw/zinc/82/07/28/1433820728.db2.gz GPYWEDUXRFMCCM-SCLBCKFNSA-N 0 1 389.858 3.054 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CCN([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000248763046 1433820994 /nfs/dbraw/zinc/82/09/94/1433820994.db2.gz ZMXOEIDSRZFMSF-IERDGZPVSA-N 0 1 376.497 3.242 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248768362 1433821389 /nfs/dbraw/zinc/82/13/89/1433821389.db2.gz PJLYBKOBLUTCIC-HDMKZQKVSA-N 0 1 391.943 3.144 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248768362 1433821390 /nfs/dbraw/zinc/82/13/90/1433821390.db2.gz PJLYBKOBLUTCIC-HDMKZQKVSA-N 0 1 391.943 3.144 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1F ZINC000248779578 1433821920 /nfs/dbraw/zinc/82/19/20/1433821920.db2.gz HWLVCTOOGCECLG-CXAGYDPISA-N 0 1 389.858 3.054 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248781222 1433822193 /nfs/dbraw/zinc/82/21/93/1433822193.db2.gz HZLGTTSWOJEHCN-UZLBHIALSA-N 0 1 397.544 3.374 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248781211 1433822259 /nfs/dbraw/zinc/82/22/59/1433822259.db2.gz HZLGTTSWOJEHCN-OXQOHEQNSA-N 0 1 397.544 3.374 20 0 GGADMN COC(=O)c1ccc(CCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248789116 1433822657 /nfs/dbraw/zinc/82/26/57/1433822657.db2.gz IOUYGNVZSQVJKK-LAUBAEHRSA-N 0 1 380.488 3.043 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248805149 1433823201 /nfs/dbraw/zinc/82/32/01/1433823201.db2.gz KAUCGHJJFLYXBC-DNVCBOLYSA-N 0 1 385.895 3.224 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248801055 1433823280 /nfs/dbraw/zinc/82/32/80/1433823280.db2.gz JRDONDCIXPLMJG-GUDVDZBRSA-N 0 1 395.507 3.491 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248801394 1433823315 /nfs/dbraw/zinc/82/33/15/1433823315.db2.gz QFMBZKGZNMSCQK-QFBILLFUSA-N 0 1 389.540 3.009 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248807234 1433823528 /nfs/dbraw/zinc/82/35/28/1433823528.db2.gz RMXLBKPOIAJTOM-QZTJIDSGSA-N 0 1 389.540 3.316 20 0 GGADMN O=C(NC[C@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000248812095 1433823609 /nfs/dbraw/zinc/82/36/09/1433823609.db2.gz CVNBDCBKHOOQHE-UTKZUKDTSA-N 0 1 377.488 3.082 20 0 GGADMN Cn1cc([C@@H]2CSCCN2C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000248818895 1433823872 /nfs/dbraw/zinc/82/38/72/1433823872.db2.gz VDAYABAAKMWNAN-IRXDYDNUSA-N 0 1 385.455 3.132 20 0 GGADMN Cn1cc([C@@H]2CSCCN2CCC(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000248830795 1433824581 /nfs/dbraw/zinc/82/45/81/1433824581.db2.gz YOOUVWWGXIJJME-PMACEKPBSA-N 0 1 384.549 3.094 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CN[C@@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@@H](C)O1 ZINC000248831277 1433824732 /nfs/dbraw/zinc/82/47/32/1433824732.db2.gz FGCSLRRCFMZCAU-JBYIUTFZSA-N 0 1 391.519 3.293 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000248849009 1433825561 /nfs/dbraw/zinc/82/55/61/1433825561.db2.gz NVOIXASHIPMUDN-QAPCUYQASA-N 0 1 398.894 3.339 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCCN(CC[C@H](C)c2ccccc2)CC1 ZINC000248876158 1433826996 /nfs/dbraw/zinc/82/69/96/1433826996.db2.gz JNSMVWAHBUXERV-INIZCTEOSA-N 0 1 391.537 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/nfs/dbraw/zinc/83/81/56/1433838156.db2.gz YKAWBNZJNHTHPA-KSSFIOAISA-N 0 1 383.483 3.293 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000249176533 1433838208 /nfs/dbraw/zinc/83/82/08/1433838208.db2.gz ZNQMCBAVVUHHTD-LSDHHAIUSA-N 0 1 399.318 3.494 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CCO1 ZINC000249184467 1433838411 /nfs/dbraw/zinc/83/84/11/1433838411.db2.gz KCJXSAYQCISMRI-GIVPXCGWSA-N 0 1 385.552 3.293 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000249189843 1433838531 /nfs/dbraw/zinc/83/85/31/1433838531.db2.gz NFUXENUGXCFOAR-VQTJNVASSA-N 0 1 393.466 3.200 20 0 GGADMN NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000249197471 1433838653 /nfs/dbraw/zinc/83/86/53/1433838653.db2.gz RQWBGBFNVODIFL-PMACEKPBSA-N 0 1 375.476 3.061 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C[C@H](C)O)C[C@@H]3C)cc2)c1 ZINC000249214957 1433839052 /nfs/dbraw/zinc/83/90/52/1433839052.db2.gz DRRSPAWDSHUBNX-OALUTQOASA-N 0 1 397.519 3.113 20 0 GGADMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000249239046 1433839391 /nfs/dbraw/zinc/83/93/91/1433839391.db2.gz OMLNZNNJYGZRIE-BFHYXJOUSA-N 0 1 397.445 3.231 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000249239272 1433839458 /nfs/dbraw/zinc/83/94/58/1433839458.db2.gz PCYRMEMIPYWDNX-IXDOHACOSA-N 0 1 388.533 3.315 20 0 GGADMN C[C@H](O)C[N@H+]1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000249295158 1433840705 /nfs/dbraw/zinc/84/07/05/1433840705.db2.gz QSGSIGPBLFTPHX-GJZGRUSLSA-N 0 1 395.956 3.262 20 0 GGADMN C[C@H](O)CN1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000249295158 1433840706 /nfs/dbraw/zinc/84/07/06/1433840706.db2.gz QSGSIGPBLFTPHX-GJZGRUSLSA-N 0 1 395.956 3.262 20 0 GGADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249300125 1433840711 /nfs/dbraw/zinc/84/07/11/1433840711.db2.gz BYEWVYVZNRDXRR-UONOGXRCSA-N 0 1 378.904 3.228 20 0 GGADMN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000249332985 1433841333 /nfs/dbraw/zinc/84/13/33/1433841333.db2.gz HUWKMNLMEXZJLM-KBMXLJTQSA-N 0 1 384.442 3.113 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000249332985 1433841334 /nfs/dbraw/zinc/84/13/34/1433841334.db2.gz HUWKMNLMEXZJLM-KBMXLJTQSA-N 0 1 384.442 3.113 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249345791 1433841639 /nfs/dbraw/zinc/84/16/39/1433841639.db2.gz JPHJLJFJMPRTJP-DLBZAZTESA-N 0 1 375.557 3.088 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249367050 1433841704 /nfs/dbraw/zinc/84/17/04/1433841704.db2.gz MSXQLZHEHSACIS-CEXWTWQISA-N 0 1 397.563 3.183 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000249372813 1433841897 /nfs/dbraw/zinc/84/18/97/1433841897.db2.gz NPNMMCSCMBICEN-XYPHTWIQSA-N 0 1 384.442 3.113 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1ccccc1 ZINC000249410917 1433843141 /nfs/dbraw/zinc/84/31/41/1433843141.db2.gz XXYDBQHQHJKKPB-LVCYWYKZSA-N 0 1 395.503 3.399 20 0 GGADMN Cc1cc(C(=O)CN2CCN(CC(C)(C)O)C[C@H]2C)c(C)n1CCC(C)C ZINC000249420053 1433843441 /nfs/dbraw/zinc/84/34/41/1433843441.db2.gz WYLMDMLSDDRYSR-GOSISDBHSA-N 0 1 377.573 3.111 20 0 GGADMN C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249419970 1433843542 /nfs/dbraw/zinc/84/35/42/1433843542.db2.gz WXRGUUCNUHHSEM-AABGKKOBSA-N 0 1 382.589 3.446 20 0 GGADMN C[C@@H]1CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1CC(C)(C)O ZINC000249424220 1433843662 /nfs/dbraw/zinc/84/36/62/1433843662.db2.gz XTBFNPZKXGDCJK-WIYYLYMNSA-N 0 1 381.520 3.143 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)N[C@H](C1CCCC1)C(F)(F)F ZINC000249451667 1433844094 /nfs/dbraw/zinc/84/40/94/1433844094.db2.gz ONICOMPXZAYSPI-OKZBNKHCSA-N 0 1 399.457 3.042 20 0 GGADMN C[C@H](O)CN1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@@H](C)C1 ZINC000249456438 1433844278 /nfs/dbraw/zinc/84/42/78/1433844278.db2.gz YDWZDZYIEYDJIC-KBPBESRZSA-N 0 1 383.414 3.247 20 0 GGADMN CCOC(=O)N1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC000249484243 1433844804 /nfs/dbraw/zinc/84/48/04/1433844804.db2.gz WJRFKBCOMGDZHU-APWZRJJASA-N 0 1 375.513 3.053 20 0 GGADMN CCOc1ccc(-c2nc(CN3CCN(C[C@H](C)O)C[C@H]3C)cs2)cc1 ZINC000249498469 1433845155 /nfs/dbraw/zinc/84/51/55/1433845155.db2.gz HPJMDEGBOGKHHF-CVEARBPZSA-N 0 1 375.538 3.096 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000249507795 1433845408 /nfs/dbraw/zinc/84/54/08/1433845408.db2.gz KIVKRBSYXWAFHL-QKLQHJQFSA-N 0 1 375.513 3.041 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249508175 1433845529 /nfs/dbraw/zinc/84/55/29/1433845529.db2.gz LRWQIAMATMMJSJ-ROUUACIJSA-N 0 1 375.557 3.259 20 0 GGADMN CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc(OC)cc1 ZINC000249527610 1433846411 /nfs/dbraw/zinc/84/64/11/1433846411.db2.gz JDAPUPSLZGUBSM-ACIOBRDBSA-N 0 1 396.531 3.188 20 0 GGADMN CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(OC)cc1 ZINC000249527610 1433846413 /nfs/dbraw/zinc/84/64/13/1433846413.db2.gz JDAPUPSLZGUBSM-ACIOBRDBSA-N 0 1 396.531 3.188 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@@H](C)C[C@H]1C(N)=O)c1ccccc1 ZINC000249549257 1433846766 /nfs/dbraw/zinc/84/67/66/1433846766.db2.gz HGZICHURKMOHST-ZZNFJVAJSA-N 0 1 396.531 3.048 20 0 GGADMN CC[C@]1(CO)CCCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000249554798 1433846918 /nfs/dbraw/zinc/84/69/18/1433846918.db2.gz JIPFNMIFYPJJGF-KDOFPFPSSA-N 0 1 388.430 3.247 20 0 GGADMN C[C@@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C(N)=O)C1 ZINC000249554767 1433846951 /nfs/dbraw/zinc/84/69/51/1433846951.db2.gz JHVJPMXIZISKFA-VQIMIIECSA-N 0 1 381.476 3.393 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN2CC[C@@H](C)C[C@H]2C(N)=O)c2ccccc2)cc1 ZINC000249593091 1433847618 /nfs/dbraw/zinc/84/76/18/1433847618.db2.gz VYVFMSKGYXIOMB-TWHAJKEOSA-N 0 1 396.531 3.048 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CC[C@H](O)[C@@H](C)C1 ZINC000249604580 1433847929 /nfs/dbraw/zinc/84/79/29/1433847929.db2.gz ZHOZHKXRQHYTCV-CVDCTZTESA-N 0 1 396.531 3.317 20 0 GGADMN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000249626063 1433848379 /nfs/dbraw/zinc/84/83/79/1433848379.db2.gz UBFFILXLBHTJLR-DLBZAZTESA-N 0 1 394.475 3.074 20 0 GGADMN CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000249682172 1433848761 /nfs/dbraw/zinc/84/87/61/1433848761.db2.gz FOHNBACGMKRELE-WIYYLYMNSA-N 0 1 382.508 3.352 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H](O)c3ccc(F)c(F)c3)C2)nc1 ZINC000249713359 1433849529 /nfs/dbraw/zinc/84/95/29/1433849529.db2.gz GPFFQUOVNFLOJT-MAUKXSAKSA-N 0 1 375.419 3.052 20 0 GGADMN O[C@@H](CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1c(F)cccc1F ZINC000249722198 1433849755 /nfs/dbraw/zinc/84/97/55/1433849755.db2.gz NKBVFWQBPPWSFG-PBHICJAKSA-N 0 1 376.451 3.196 20 0 GGADMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249724894 1433849818 /nfs/dbraw/zinc/84/98/18/1433849818.db2.gz PEFIGYAGVAEVGB-FCGDIQPGSA-N 0 1 387.572 3.362 20 0 GGADMN CCN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)c1cccc(OC)c1 ZINC000249723501 1433849881 /nfs/dbraw/zinc/84/98/81/1433849881.db2.gz ODZXSWGPULCRPK-QRWLVFNGSA-N 0 1 377.506 3.215 20 0 GGADMN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000249728487 1433850037 /nfs/dbraw/zinc/85/00/37/1433850037.db2.gz ROHPFJPSJSMARC-KUHUBIRLSA-N 0 1 384.863 3.134 20 0 GGADMN C[C@H](NC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)C(=O)N1CCCCC1 ZINC000249727375 1433850057 /nfs/dbraw/zinc/85/00/57/1433850057.db2.gz RBJMSSMVPLDRJP-UWJYYQICSA-N 0 1 383.536 3.046 20 0 GGADMN C[C@H](NC(=O)CN(C1CC1)[C@H]1CCCc2ccccc21)C(=O)N1CCCCC1 ZINC000249727375 1433850059 /nfs/dbraw/zinc/85/00/59/1433850059.db2.gz RBJMSSMVPLDRJP-UWJYYQICSA-N 0 1 383.536 3.046 20 0 GGADMN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1c(=S)[n-]nc1-c1cccs1 ZINC000249753016 1433851140 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C/C(=C/C(=O)NCc1cccnc1N1CCN(C)CC1)c1cccc(Cl)c1 ZINC000255319423 1433880209 /nfs/dbraw/zinc/88/02/09/1433880209.db2.gz WOHUJTFBUZPZHS-SSZFMOIBSA-N 0 1 384.911 3.207 20 0 GGADMN Cc1ncc(/C=C\C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000255361864 1433881326 /nfs/dbraw/zinc/88/13/26/1433881326.db2.gz MJZXWGJKNAPHQM-FPLPWBNLSA-N 0 1 384.549 3.102 20 0 GGADMN COc1cc(/C=C\C(=O)N2CCNC(C)(C)C2)ccc1OCc1c(C)noc1C ZINC000255454166 1433883079 /nfs/dbraw/zinc/88/30/79/1433883079.db2.gz FSXPWBQJVAIDRA-CLFYSBASSA-N 0 1 399.491 3.103 20 0 GGADMN CCOc1cc(/C=C\C(=O)Nc2cccc(CN3CCN(C)CC3)c2)ccc1O ZINC000255470850 1433883228 /nfs/dbraw/zinc/88/32/28/1433883228.db2.gz NTLYEDBVJOWJLB-NTMALXAHSA-N 0 1 395.503 3.190 20 0 GGADMN O[C@@H](COCc1ccccc1F)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255474622 1433883414 /nfs/dbraw/zinc/88/34/14/1433883414.db2.gz SSQBSKGSAKHYFA-NOUOYNBVSA-N 0 1 384.495 3.034 20 0 GGADMN C[C@@H](CNC(=O)/C=C\c1ccc(Cl)nc1)N1CCN(c2ccccc2)CC1 ZINC000255668818 1433887573 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3.294 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C\c2ccc3ccccc3n2)c1 ZINC000255910511 1433891749 /nfs/dbraw/zinc/89/17/49/1433891749.db2.gz CXZUBMCDRXAIME-XFXZXTDPSA-N 0 1 382.441 3.386 20 0 GGADMN O[C@@H](COc1ccc(F)cc1)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000256038748 1433892996 /nfs/dbraw/zinc/89/29/96/1433892996.db2.gz RSHKRANFVWXBAL-TZIWHRDSSA-N 0 1 377.431 3.386 20 0 GGADMN Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCCN(C)CC3)[C@@H]2c2cccs2)cc1 ZINC000261370014 1433895248 /nfs/dbraw/zinc/89/52/48/1433895248.db2.gz UYBQZJWQBNPWHK-WIYYLYMNSA-N 0 1 397.544 3.315 20 0 GGADMN O=C(OCc1ccc2[nH]nnc2c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000261405045 1433895791 /nfs/dbraw/zinc/89/57/91/1433895791.db2.gz ASJCDDISNSXXQE-UHFFFAOYSA-N 0 1 395.369 3.268 20 0 GGADMN O=C(OCc1ccc2nn[nH]c2c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000261405045 1433895794 /nfs/dbraw/zinc/89/57/94/1433895794.db2.gz ASJCDDISNSXXQE-UHFFFAOYSA-N 0 1 395.369 3.268 20 0 GGADMN C[C@@H]1CCN(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000261403903 1433895831 /nfs/dbraw/zinc/89/58/31/1433895831.db2.gz ZGRGNXGAKLSPDU-MRXNPFEDSA-N 0 1 398.473 3.269 20 0 GGADMN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000261409423 1433895893 /nfs/dbraw/zinc/89/58/93/1433895893.db2.gz ROVHFHAEFNAEOV-RBUKOAKNSA-N 0 1 399.878 3.355 20 0 GGADMN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000261413808 1433896023 /nfs/dbraw/zinc/89/60/23/1433896023.db2.gz VVMHHEZURPWWBN-QFBILLFUSA-N 0 1 399.878 3.355 20 0 GGADMN C[C@@H](c1ccccc1Cl)N(C)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000261420049 1433896113 /nfs/dbraw/zinc/89/61/13/1433896113.db2.gz ZPVVEJMXPNHLHD-HOCLYGCPSA-N 0 1 387.867 3.211 20 0 GGADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NC[C@H]1COc2ccccc2O1 ZINC000261443981 1433896325 /nfs/dbraw/zinc/89/63/25/1433896325.db2.gz JMPHMGMDFMIAGB-KRWDZBQOSA-N 0 1 386.879 3.265 20 0 GGADMN Cc1cccn2cc(CC(=O)N3CCN(Cc4ccccc4)C(C)(C)C3)nc12 ZINC000261449396 1433896406 /nfs/dbraw/zinc/89/64/06/1433896406.db2.gz VNCQAMJABPUNRC-UHFFFAOYSA-N 0 1 376.504 3.308 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C4(N)CCC4)no3)cc2)cc1C ZINC000261617489 1433897398 /nfs/dbraw/zinc/89/73/98/1433897398.db2.gz BKKACYKDXVXCIK-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1)C1CC1 ZINC000261617086 1433897404 /nfs/dbraw/zinc/89/74/04/1433897404.db2.gz BVMRGZLOCBQAAH-LJQANCHMSA-N 0 1 383.879 3.475 20 0 GGADMN O=C(Nc1ccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1)C1CC1 ZINC000261617085 1433897426 /nfs/dbraw/zinc/89/74/26/1433897426.db2.gz BVMRGZLOCBQAAH-IBGZPJMESA-N 0 1 383.879 3.475 20 0 GGADMN NC1(c2noc([C@H]3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)n2)CCCC1 ZINC000261616100 1433897449 /nfs/dbraw/zinc/89/74/49/1433897449.db2.gz BIGSTDSKAZCRTA-ZDUSSCGKSA-N 0 1 394.397 3.333 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)Cc2csc(-c3cccnc3)n2)cc1 ZINC000261624561 1433897580 /nfs/dbraw/zinc/89/75/80/1433897580.db2.gz AMZKPEPKNVUEST-HXUWFJFHSA-N 0 1 392.528 3.483 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1 ZINC000261624939 1433897591 /nfs/dbraw/zinc/89/75/91/1433897591.db2.gz APULXWOKDJFQAF-HFMPRLQTSA-N 0 1 376.500 3.462 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)[C@H]2C[C@]23CCOc2ccccc23)cc1 ZINC000261624933 1433897595 /nfs/dbraw/zinc/89/75/95/1433897595.db2.gz APULXWOKDJFQAF-DPLHUUCSSA-N 0 1 376.500 3.462 20 0 GGADMN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261632446 1433897798 /nfs/dbraw/zinc/89/77/98/1433897798.db2.gz CYFRAIDSWYABCT-KDOFPFPSSA-N 0 1 386.883 3.023 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2cccc(-c3nc(C4(N)CCC4)no3)c2)c1 ZINC000261657419 1433898352 /nfs/dbraw/zinc/89/83/52/1433898352.db2.gz FJAHWBXRCVZGOX-UHFFFAOYSA-N 0 1 384.461 3.184 20 0 GGADMN C[C@@](N)(C(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc(Br)cc1 ZINC000261672588 1433898617 /nfs/dbraw/zinc/89/86/17/1433898617.db2.gz GCXDOLASIMOEFU-MJGOQNOKSA-N 0 1 388.309 3.336 20 0 GGADMN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(-c2nc(C3(N)CCCC3)no2)c1 ZINC000261671047 1433898700 /nfs/dbraw/zinc/89/87/00/1433898700.db2.gz GEMMQGGGRVVSHL-UHFFFAOYSA-N 0 1 398.916 3.195 20 0 GGADMN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)c1nc(C2(N)CCCC2)no1 ZINC000261673144 1433898741 /nfs/dbraw/zinc/89/87/41/1433898741.db2.gz GKKYZCZERIFLTN-OAHLLOKOSA-N 0 1 375.448 3.133 20 0 GGADMN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)c1nc(C2(N)CCCC2)no1 ZINC000261673139 1433898744 /nfs/dbraw/zinc/89/87/44/1433898744.db2.gz GKKYZCZERIFLTN-HNNXBMFYSA-N 0 1 375.448 3.133 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261692067 1433899226 /nfs/dbraw/zinc/89/92/26/1433899226.db2.gz HRAUEOKPOPSNOX-HNNXBMFYSA-N 0 1 399.907 3.349 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261692069 1433899251 /nfs/dbraw/zinc/89/92/51/1433899251.db2.gz HRAUEOKPOPSNOX-OAHLLOKOSA-N 0 1 399.907 3.349 20 0 GGADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000261702880 1433899488 /nfs/dbraw/zinc/89/94/88/1433899488.db2.gz DDLFVVSPEURVKE-KSEOMHKRSA-N 0 1 393.487 3.359 20 0 GGADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000261702883 1433899524 /nfs/dbraw/zinc/89/95/24/1433899524.db2.gz DDLFVVSPEURVKE-NNWRFLSQSA-N 0 1 393.487 3.359 20 0 GGADMN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(-c2nc(C3(N)CCC3)no2)c1 ZINC000261703742 1433899606 /nfs/dbraw/zinc/89/96/06/1433899606.db2.gz IHLAXJNVZRPJLE-UHFFFAOYSA-N 0 1 398.488 3.492 20 0 GGADMN C[C@H]1CCCCN1S(=O)(=O)c1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000261716581 1433899663 /nfs/dbraw/zinc/89/96/63/1433899663.db2.gz JHAUNVMVIDBUFI-AWEZNQCLSA-N 0 1 390.509 3.028 20 0 GGADMN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261742912 1433901194 /nfs/dbraw/zinc/90/11/94/1433901194.db2.gz LFLYMMBEDYGHEY-GJZGRUSLSA-N 0 1 384.480 3.243 20 0 GGADMN Cc1nc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)nn1-c1ccc(F)cc1 ZINC000261750580 1433901660 /nfs/dbraw/zinc/90/16/60/1433901660.db2.gz DUOZXFTXSVJFDC-GOSISDBHSA-N 0 1 399.857 3.155 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000261755079 1433901787 /nfs/dbraw/zinc/90/17/87/1433901787.db2.gz NRYVRURHGXZJEK-PKTZIBPZSA-N 0 1 393.531 3.298 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000261766289 1433902555 /nfs/dbraw/zinc/90/25/55/1433902555.db2.gz OLAIXFRKZIJYON-QFIPXVFZSA-N 0 1 391.515 3.158 20 0 GGADMN COc1ccc(C(=O)N[C@@H](c2nc(C3(N)CCCC3)no2)c2ccccc2)cc1 ZINC000261783785 1433903890 /nfs/dbraw/zinc/90/38/90/1433903890.db2.gz OAQJNSGKOQCECY-GOSISDBHSA-N 0 1 392.459 3.326 20 0 GGADMN CC(=O)N(CCC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)Cc1ccccc1 ZINC000261793012 1433904081 /nfs/dbraw/zinc/90/40/81/1433904081.db2.gz NSEKQTMYEVYTCF-NRFANRHFSA-N 0 1 399.922 3.252 20 0 GGADMN CC(C)n1ncc2cc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)cnc21 ZINC000261801570 1433904509 /nfs/dbraw/zinc/90/45/09/1433904509.db2.gz GYUSLIMPMVNLRU-GOSISDBHSA-N 0 1 383.883 3.452 20 0 GGADMN NC1(c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)CCC1 ZINC000261797797 1433904666 /nfs/dbraw/zinc/90/46/66/1433904666.db2.gz GSKQTHVMCLJJHZ-UHFFFAOYSA-N 0 1 382.395 3.231 20 0 GGADMN NC1(c2noc(-c3ccc(S(=O)(=O)Cc4ccccc4)cc3)n2)CCCC1 ZINC000261802290 1433904677 /nfs/dbraw/zinc/90/46/77/1433904677.db2.gz PGCCUVZBMMAVLO-UHFFFAOYSA-N 0 1 383.473 3.439 20 0 GGADMN NC1(c2noc(-c3ccccc3CS(=O)(=O)c3ccccc3)n2)CCCC1 ZINC000261806238 1433904843 /nfs/dbraw/zinc/90/48/43/1433904843.db2.gz PNXKWJFGWLSUAM-UHFFFAOYSA-N 0 1 383.473 3.439 20 0 GGADMN CC(=O)N[C@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)c1ccc(C)cc1 ZINC000261840271 1433906155 /nfs/dbraw/zinc/90/61/55/1433906155.db2.gz IRRPRIUMCBOTNS-RTWAWAEBSA-N 0 1 399.922 3.389 20 0 GGADMN Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000261865414 1433907897 /nfs/dbraw/zinc/90/78/97/1433907897.db2.gz PMUCDTWSWOYIIO-INIZCTEOSA-N 0 1 387.505 3.124 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261874288 1433908739 /nfs/dbraw/zinc/90/87/39/1433908739.db2.gz UAECEJPLLZFWLV-LJQANCHMSA-N 0 1 385.895 3.219 20 0 GGADMN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261878722 1433909003 /nfs/dbraw/zinc/90/90/03/1433909003.db2.gz UKCJMKQIAOWJAI-WMZOPIPTSA-N 0 1 387.842 3.078 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCNC[C@@H]3C)c3cnn(C(C)C)c3n2)cc1 ZINC000261891483 1433909963 /nfs/dbraw/zinc/90/99/63/1433909963.db2.gz TXXJWQFXCDHLHG-INIZCTEOSA-N 0 1 377.492 3.422 20 0 GGADMN O=C(c1ccc(N2CCCC2=O)cc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261903101 1433911098 /nfs/dbraw/zinc/91/10/98/1433911098.db2.gz WSBRWENNBUQBSH-IBGZPJMESA-N 0 1 383.879 3.254 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000261906615 1433911863 /nfs/dbraw/zinc/91/18/63/1433911863.db2.gz POKDAVNMKRRGBU-KGLIPLIRSA-N 0 1 397.313 3.203 20 0 GGADMN O=C(c1cccc(N2CCCNC2=O)c1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261935618 1433914338 /nfs/dbraw/zinc/91/43/38/1433914338.db2.gz IXUDNELJXRJXSR-IBGZPJMESA-N 0 1 398.894 3.046 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000261948118 1433915420 /nfs/dbraw/zinc/91/54/20/1433915420.db2.gz LHISKGAJRBKBLW-SFHVURJKSA-N 0 1 384.476 3.062 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)c1cccs1 ZINC000261959124 1433916594 /nfs/dbraw/zinc/91/65/94/1433916594.db2.gz KSOOKFOTRULCRO-IRXDYDNUSA-N 0 1 391.924 3.142 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000261985940 1433919575 /nfs/dbraw/zinc/91/95/75/1433919575.db2.gz ONDHBBBKKOGUNK-GOSISDBHSA-N 0 1 381.501 3.080 20 0 GGADMN C[C@H](CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)NC(=O)c1ccccc1 ZINC000262011691 1433921741 /nfs/dbraw/zinc/92/17/41/1433921741.db2.gz OCOAANJSXJGTSO-BEFAXECRSA-N 0 1 385.895 3.022 20 0 GGADMN C[C@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)NC(=O)c1ccccc1 ZINC000262011692 1433921856 /nfs/dbraw/zinc/92/18/56/1433921856.db2.gz OCOAANJSXJGTSO-DNVCBOLYSA-N 0 1 385.895 3.022 20 0 GGADMN COc1ccc([C@@H](NC(=O)C[C@H]2COCCN2)c2ccccc2Cl)c(C)c1 ZINC000262028946 1433923273 /nfs/dbraw/zinc/92/32/73/1433923273.db2.gz AGMJPGHZGIXLLB-YCRPNKLZSA-N 0 1 388.895 3.241 20 0 GGADMN COc1ccc([C@@H](NC(=O)C[C@@H]2COCCN2)c2ccccc2Cl)c(C)c1 ZINC000262028944 1433923329 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CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000262703160 1433950942 /nfs/dbraw/zinc/95/09/42/1433950942.db2.gz IRCOUKYMBAXYJC-UHFFFAOYSA-N 0 1 384.929 3.266 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000262711151 1433951481 /nfs/dbraw/zinc/95/14/81/1433951481.db2.gz LTTMLSBJTLNTBP-XABBQPORSA-N 0 1 392.499 3.387 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000262716098 1433951880 /nfs/dbraw/zinc/95/18/80/1433951880.db2.gz NJIIFWPTVLPXFM-UHFFFAOYSA-N 0 1 386.492 3.065 20 0 GGADMN CC[C@H](C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000262715378 1433951882 /nfs/dbraw/zinc/95/18/82/1433951882.db2.gz NEKYDANNOCDGGM-GPANFISMSA-N 0 1 386.414 3.253 20 0 GGADMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000262718309 1433952081 /nfs/dbraw/zinc/95/20/81/1433952081.db2.gz OINHXNUAAQHOJG-UHFFFAOYSA-N 0 1 393.487 3.170 20 0 GGADMN 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/nfs/dbraw/zinc/04/59/34/1434045934.db2.gz QWNHLUOJTDOSMR-UHFFFAOYSA-N 0 1 388.533 3.121 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000263931713 1434050112 /nfs/dbraw/zinc/05/01/12/1434050112.db2.gz DBOKNSXXSIAMTN-OAQYLSRUSA-N 0 1 390.487 3.328 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1ccsc1 ZINC000263943237 1434051470 /nfs/dbraw/zinc/05/14/70/1434051470.db2.gz BNLYJOGVPVPQHW-ICSRJNTNSA-N 0 1 385.533 3.221 20 0 GGADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(CCSC)cc1 ZINC000263952987 1434052718 /nfs/dbraw/zinc/05/27/18/1434052718.db2.gz ZZLBAIVDFUTNMA-UHFFFAOYSA-N 0 1 394.518 3.360 20 0 GGADMN CCC[NH+](CCC)CCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000263953774 1434052984 /nfs/dbraw/zinc/05/29/84/1434052984.db2.gz OTDYLRORUNPBPK-UHFFFAOYSA-N 0 1 399.539 3.114 20 0 GGADMN COCCCN1Cc2cccc(N[C@H](C)C(=O)NCc3cccc(OC)c3)c2C1 ZINC000263962047 1434054283 /nfs/dbraw/zinc/05/42/83/1434054283.db2.gz PPEZKKOESAADQH-QGZVFWFLSA-N 0 1 397.519 3.164 20 0 GGADMN CCc1c(NC(=O)CNC(=O)CCc2ccc(C)cc2)[nH]nc1-c1ccncc1 ZINC000263964631 1434054459 /nfs/dbraw/zinc/05/44/59/1434054459.db2.gz BLRJZTDIOKHTAY-UHFFFAOYSA-N 0 1 391.475 3.030 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000263970869 1434055264 /nfs/dbraw/zinc/05/52/64/1434055264.db2.gz BOOASTUGDADQQV-ZNMIVQPWSA-N 0 1 383.467 3.261 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)Nc1cccc2ncccc21 ZINC000263971958 1434055496 /nfs/dbraw/zinc/05/54/96/1434055496.db2.gz BYCLGEIODKVURO-GJZGRUSLSA-N 0 1 388.471 3.432 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)Nc1cccc2ncccc21 ZINC000263971963 1434055564 /nfs/dbraw/zinc/05/55/64/1434055564.db2.gz BYCLGEIODKVURO-LSDHHAIUSA-N 0 1 388.471 3.432 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000263976966 1434056483 /nfs/dbraw/zinc/05/64/83/1434056483.db2.gz DQGBJOKUJYDQIA-CABCVRRESA-N 0 1 381.476 3.282 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000263976968 1434056541 /nfs/dbraw/zinc/05/65/41/1434056541.db2.gz DQGBJOKUJYDQIA-GJZGRUSLSA-N 0 1 381.476 3.282 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000263982875 1434057544 /nfs/dbraw/zinc/05/75/44/1434057544.db2.gz GVRZNRXFSNVSOR-FOLPRYHFSA-N 0 1 395.547 3.330 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1csc(-c2cnccn2)n1 ZINC000264000482 1434060197 /nfs/dbraw/zinc/06/01/97/1434060197.db2.gz KUNVVJLYEZRIOP-OAHLLOKOSA-N 0 1 385.518 3.229 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000264005896 1434060782 /nfs/dbraw/zinc/06/07/82/1434060782.db2.gz QABJESHNEPBFEG-UONOGXRCSA-N 0 1 379.460 3.086 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000264005890 1434060851 /nfs/dbraw/zinc/06/08/51/1434060851.db2.gz QABJESHNEPBFEG-KBPBESRZSA-N 0 1 379.460 3.086 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2c(C)noc2C)CC1 ZINC000264007992 1434061376 /nfs/dbraw/zinc/06/13/76/1434061376.db2.gz AKCUGRQBLBOBLR-CYBMUJFWSA-N 0 1 389.475 3.455 20 0 GGADMN CCOCCCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000264012411 1434061683 /nfs/dbraw/zinc/06/16/83/1434061683.db2.gz VSJOIWLTOSGYDL-UHFFFAOYSA-N 0 1 396.535 3.202 20 0 GGADMN O=C(Nc1ccccc1N1CCN(CCc2ccncc2)CC1)c1cccnc1 ZINC000264017552 1434062498 /nfs/dbraw/zinc/06/24/98/1434062498.db2.gz WYOSHEDEWJZQTL-UHFFFAOYSA-N 0 1 387.487 3.094 20 0 GGADMN CCOCCOCc1cccc(CNC(=O)CNC2(c3ccccc3)CC2)c1 ZINC000264018628 1434062776 /nfs/dbraw/zinc/06/27/76/1434062776.db2.gz VMGQVRBCNIDVSU-UHFFFAOYSA-N 0 1 382.504 3.135 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)n[nH]1 ZINC000264021620 1434062945 /nfs/dbraw/zinc/06/29/45/1434062945.db2.gz GUNGSFSGTQGYQN-SFHVURJKSA-N 0 1 399.882 3.294 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000264023365 1434063393 /nfs/dbraw/zinc/06/33/93/1434063393.db2.gz XEYNJSDFZURNPQ-CABCVRRESA-N 0 1 381.476 3.282 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n[nH]1 ZINC000264035711 1434064715 /nfs/dbraw/zinc/06/47/15/1434064715.db2.gz UECWQBDHQXNQHW-CQSZACIVSA-N 0 1 387.459 3.346 20 0 GGADMN CC(C)N(Cc1ccccc1F)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000264043577 1434065645 /nfs/dbraw/zinc/06/56/45/1434065645.db2.gz HBDHJZPZUMGLJR-UHFFFAOYSA-N 0 1 399.514 3.093 20 0 GGADMN COC(=O)CCSCc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000264046942 1434066055 /nfs/dbraw/zinc/06/60/55/1434066055.db2.gz IBPZMHMONHCIAH-UHFFFAOYSA-N 0 1 391.537 3.042 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CCc3ccco3)CC2)c1C ZINC000264049067 1434066168 /nfs/dbraw/zinc/06/61/68/1434066168.db2.gz BRQCIGUYXKTSQR-UHFFFAOYSA-N 0 1 385.508 3.356 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CC[C@H]3CCCO3)CC2)c1C ZINC000264060271 1434067635 /nfs/dbraw/zinc/06/76/35/1434067635.db2.gz DYOTUFQWQXZUFE-LJQANCHMSA-N 0 1 389.540 3.089 20 0 GGADMN CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264076236 1434069719 /nfs/dbraw/zinc/06/97/19/1434069719.db2.gz NMWOERVDOKOQHI-UHFFFAOYSA-N 0 1 399.514 3.093 20 0 GGADMN CC(=O)c1ccc(NC(=O)CCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000264086533 1434070612 /nfs/dbraw/zinc/07/06/12/1434070612.db2.gz AMHCNHAKSGHPTF-UHFFFAOYSA-N 0 1 389.496 3.207 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)/C=C/c3cccnc3)CC2)c1C ZINC000264120644 1434073448 /nfs/dbraw/zinc/07/34/48/1434073448.db2.gz NHQFIADSWCQWOT-BQYQJAHWSA-N 0 1 394.519 3.238 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(C)n3)CC2)c1C ZINC000264140713 1434075230 /nfs/dbraw/zinc/07/52/30/1434075230.db2.gz QBMRFPNLFSTJNU-UHFFFAOYSA-N 0 1 382.508 3.147 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)COC3CCCC3)CC2)c1C ZINC000264167344 1434077633 /nfs/dbraw/zinc/07/76/33/1434077633.db2.gz VIOWKPQYGVWMFH-UHFFFAOYSA-N 0 1 389.540 3.089 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 ZINC000264182339 1434078991 /nfs/dbraw/zinc/07/89/91/1434078991.db2.gz ONAIPDVGJSFOKX-GOSISDBHSA-N 0 1 375.494 3.080 20 0 GGADMN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC(CN2CCOCC2)CC1 ZINC000264202348 1434081617 /nfs/dbraw/zinc/08/16/17/1434081617.db2.gz SDXGOYJKLATRFU-GOSISDBHSA-N 0 1 384.442 3.293 20 0 GGADMN Cc1ccc([C@H](C)N(C)C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)c(C)c1 ZINC000264232181 1434085296 /nfs/dbraw/zinc/08/52/96/1434085296.db2.gz MTTPNWMBMMVVRP-INIZCTEOSA-N 0 1 391.475 3.327 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000264237646 1434085954 /nfs/dbraw/zinc/08/59/54/1434085954.db2.gz DWYWNDKIGGNBJN-UHFFFAOYSA-N 0 1 381.524 3.261 20 0 GGADMN Cc1nc(CCN(C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)no1 ZINC000264245635 1434086945 /nfs/dbraw/zinc/08/69/45/1434086945.db2.gz WDRUVWWCXPFWRU-UHFFFAOYSA-N 0 1 392.459 3.112 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000264255883 1434088401 /nfs/dbraw/zinc/08/84/01/1434088401.db2.gz IHRHKYIHBLHPIO-UHFFFAOYSA-N 0 1 379.504 3.127 20 0 GGADMN C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)NC1=O ZINC000264258746 1434088806 /nfs/dbraw/zinc/08/88/06/1434088806.db2.gz OYMBITZITFEOOT-APPDUMDISA-N 0 1 392.415 3.386 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 ZINC000264286266 1434092873 /nfs/dbraw/zinc/09/28/73/1434092873.db2.gz OUUWTICYHBGXRY-HUUCEWRRSA-N 0 1 391.899 3.153 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000264293230 1434093659 /nfs/dbraw/zinc/09/36/59/1434093659.db2.gz VHPDMCFYTPVQNX-KRWDZBQOSA-N 0 1 375.494 3.278 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264302417 1434094939 /nfs/dbraw/zinc/09/49/39/1434094939.db2.gz JPMLBBYQSBILLA-GOSISDBHSA-N 0 1 382.483 3.384 20 0 GGADMN C[C@H]1Oc2c(cccc2C(=O)NC[C@H](c2cccs2)N2CCCC2)NC1=O ZINC000264310083 1434095679 /nfs/dbraw/zinc/09/56/79/1434095679.db2.gz UODCLPSAJMFASH-CZUORRHYSA-N 0 1 385.489 3.034 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000264310806 1434095752 /nfs/dbraw/zinc/09/57/52/1434095752.db2.gz LVUHDLQDERJNCT-IBGZPJMESA-N 0 1 382.483 3.384 20 0 GGADMN C[C@@H]1Oc2c(cccc2C(=O)NC[C@H](c2cccs2)N2CCCC2)NC1=O ZINC000264310091 1434095760 /nfs/dbraw/zinc/09/57/60/1434095760.db2.gz UODCLPSAJMFASH-XJKSGUPXSA-N 0 1 385.489 3.034 20 0 GGADMN CCCN(C(=O)NCCCc1cn[nH]c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000264312097 1434095865 /nfs/dbraw/zinc/09/58/65/1434095865.db2.gz ZSVFXDHTWQDRAX-QGZVFWFLSA-N 0 1 393.532 3.082 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(C4CC4)n[nH]3)CC2)c1C ZINC000264315719 1434096443 /nfs/dbraw/zinc/09/64/43/1434096443.db2.gz OUYVKXVJHAHLJV-UHFFFAOYSA-N 0 1 397.523 3.044 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000264353585 1434100928 /nfs/dbraw/zinc/10/09/28/1434100928.db2.gz BAXMDUGHKGLFTA-GOSISDBHSA-N 0 1 383.561 3.345 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000264353590 1434101067 /nfs/dbraw/zinc/10/10/67/1434101067.db2.gz BAXMDUGHKGLFTA-SFHVURJKSA-N 0 1 383.561 3.345 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000264356285 1434101217 /nfs/dbraw/zinc/10/12/17/1434101217.db2.gz BPUYFBHFCCMPCV-WIYYLYMNSA-N 0 1 383.561 3.272 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000264356281 1434101361 /nfs/dbraw/zinc/10/13/61/1434101361.db2.gz BPUYFBHFCCMPCV-RXVVDRJESA-N 0 1 383.561 3.272 20 0 GGADMN CCOCCOCc1cccc(CNC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000264390152 1434106259 /nfs/dbraw/zinc/10/62/59/1434106259.db2.gz YUTCYNKGNIWZKF-QFIPXVFZSA-N 0 1 384.520 3.029 20 0 GGADMN COCCCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000264413792 1434109558 /nfs/dbraw/zinc/10/95/58/1434109558.db2.gz PFCZUNCYAIBWAQ-IBGZPJMESA-N 0 1 386.496 3.060 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000264416925 1434109860 /nfs/dbraw/zinc/10/98/60/1434109860.db2.gz JBWFIBXXJNDFQY-FGTMMUONSA-N 0 1 398.576 3.098 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000264416933 1434109962 /nfs/dbraw/zinc/10/99/62/1434109962.db2.gz JBWFIBXXJNDFQY-SQNIBIBYSA-N 0 1 398.576 3.098 20 0 GGADMN COCCN1CC[C@H](NC(=O)c2ccccc2SCc2csc(C)n2)C1 ZINC000264472606 1434117114 /nfs/dbraw/zinc/11/71/14/1434117114.db2.gz GPILBOWDZPPYEV-HNNXBMFYSA-N 0 1 391.562 3.194 20 0 GGADMN COc1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000264503771 1434121302 /nfs/dbraw/zinc/12/13/02/1434121302.db2.gz MTCPCERCNIZILB-UHFFFAOYSA-N 0 1 378.450 3.242 20 0 GGADMN Cc1ccc(CNCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc1F ZINC000264536987 1434125331 /nfs/dbraw/zinc/12/53/31/1434125331.db2.gz MRPBELABMSWKPW-IBGZPJMESA-N 0 1 386.467 3.098 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000264545500 1434126525 /nfs/dbraw/zinc/12/65/25/1434126525.db2.gz TZMNDGWFMIYREW-NRFANRHFSA-N 0 1 395.503 3.181 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000264554376 1434127464 /nfs/dbraw/zinc/12/74/64/1434127464.db2.gz KXHWGQPFLNWFCU-SFHVURJKSA-N 0 1 394.519 3.364 20 0 GGADMN C[C@@H](CNC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1 ZINC000264561906 1434128310 /nfs/dbraw/zinc/12/83/10/1434128310.db2.gz PBCRTMWILXSKHD-BBWFWOEESA-N 0 1 379.504 3.165 20 0 GGADMN O=C(CC1(C(=O)[O-])Cc2ccccc2C1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000264563641 1434128633 /nfs/dbraw/zinc/12/86/33/1434128633.db2.gz DBPIEFBNOPEZKA-OAQYLSRUSA-N 0 1 398.547 3.407 20 0 GGADMN CCOc1ccccc1CN(CCCn1ccnc1)Cc1cccc(C(N)=O)c1 ZINC000264597764 1434132586 /nfs/dbraw/zinc/13/25/86/1434132586.db2.gz CMLVBLATLGGTCL-UHFFFAOYSA-N 0 1 392.503 3.473 20 0 GGADMN O=C(c1cnc(-c2ccc3c(c2)OCO3)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000264596955 1434132689 /nfs/dbraw/zinc/13/26/89/1434132689.db2.gz MQBJYDDPZQUMPO-HNNXBMFYSA-N 0 1 385.489 3.239 20 0 GGADMN COc1ccc2[nH]cc(C3CCN(CC(=O)NCc4cccnc4)CC3)c2c1 ZINC000264623037 1434135896 /nfs/dbraw/zinc/13/58/96/1434135896.db2.gz OJROQTZTDYMEEU-UHFFFAOYSA-N 0 1 378.476 3.067 20 0 GGADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](C3N=NC(=S)N3C(C)C)C2)c1 ZINC000264673584 1434142401 /nfs/dbraw/zinc/14/24/01/1434142401.db2.gz BKTVDHXUVPSLIP-ZDUSSCGKSA-N 0 1 384.509 3.352 20 0 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O=C(COc1ccccc1CN[C@@H](CCCO)c1ccccc1)NCC1CC1 ZINC000265838689 1434270888 /nfs/dbraw/zinc/27/08/88/1434270888.db2.gz FTKTVDUWBKWEPC-NRFANRHFSA-N 0 1 382.504 3.195 20 0 GGADMN CC(C)OCCCN(C)C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000265864343 1434274664 /nfs/dbraw/zinc/27/46/64/1434274664.db2.gz FEUFOCIAERGEKY-QGZVFWFLSA-N 0 1 389.540 3.259 20 0 GGADMN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000265868780 1434275466 /nfs/dbraw/zinc/27/54/66/1434275466.db2.gz IZQAZKDPPUHJKJ-UHFFFAOYSA-N 0 1 376.434 3.151 20 0 GGADMN CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000265880128 1434277071 /nfs/dbraw/zinc/27/70/71/1434277071.db2.gz IMPZOOQZUFVLRM-QGZVFWFLSA-N 0 1 394.441 3.459 20 0 GGADMN C[C@H]1C[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265882845 1434277671 /nfs/dbraw/zinc/27/76/71/1434277671.db2.gz YVQVSCWGKBKVGL-GUYCJALGSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265882845 1434277672 /nfs/dbraw/zinc/27/76/72/1434277672.db2.gz YVQVSCWGKBKVGL-GUYCJALGSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265884960 1434277935 /nfs/dbraw/zinc/27/79/35/1434277935.db2.gz ZWLGNGYPVXCKNF-NXHRZFHOSA-N 0 1 375.513 3.051 20 0 GGADMN C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265884959 1434277998 /nfs/dbraw/zinc/27/79/98/1434277998.db2.gz ZWLGNGYPVXCKNF-NJAFHUGGSA-N 0 1 375.513 3.051 20 0 GGADMN C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265891040 1434278973 /nfs/dbraw/zinc/27/89/73/1434278973.db2.gz OFPOPOASRDBAGV-ZBFHGGJFSA-N 0 1 384.480 3.452 20 0 GGADMN C[C@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265891038 1434279077 /nfs/dbraw/zinc/27/90/77/1434279077.db2.gz OFPOPOASRDBAGV-GOEBONIOSA-N 0 1 384.480 3.452 20 0 GGADMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)c1C ZINC000265894139 1434279295 /nfs/dbraw/zinc/27/92/95/1434279295.db2.gz AOIDWOOEALICHT-UHFFFAOYSA-N 0 1 393.509 3.126 20 0 GGADMN CCCCC[C@@H](C)NC(=O)CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000265980544 1434291963 /nfs/dbraw/zinc/29/19/63/1434291963.db2.gz FHXPRBOXLASVAA-MRXNPFEDSA-N 0 1 375.513 3.128 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CC[C@H](COC)C3)cc2Cl)CC1 ZINC000265983793 1434292218 /nfs/dbraw/zinc/29/22/18/1434292218.db2.gz WQHBBCCAPOFNRW-INIZCTEOSA-N 0 1 394.947 3.372 20 0 GGADMN O=C(CN1CCCC2(CCOCC2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000265985635 1434292673 /nfs/dbraw/zinc/29/26/73/1434292673.db2.gz CZSQREPOXMQPPB-LJQANCHMSA-N 0 1 385.533 3.241 20 0 GGADMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000266012561 1434296311 /nfs/dbraw/zinc/29/63/11/1434296311.db2.gz JPAZYWXXUYHXMC-XFQXTVEOSA-N 0 1 389.540 3.263 20 0 GGADMN CCN(C(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(O)cc2)CC1)c1ccccc1 ZINC000266025204 1434297559 /nfs/dbraw/zinc/29/75/59/1434297559.db2.gz YATWTROIYGQVSB-KRWDZBQOSA-N 0 1 395.503 3.484 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)C[C@H](O)COc2c(OC)cccc2OC)s1 ZINC000266025186 1434297602 /nfs/dbraw/zinc/29/76/02/1434297602.db2.gz XZVIEARDXCWUEG-GJZGRUSLSA-N 0 1 394.537 3.464 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)c1ccsc1 ZINC000266078679 1434301855 /nfs/dbraw/zinc/30/18/55/1434301855.db2.gz NFAKLUANZMAGKR-HNNXBMFYSA-N 0 1 399.472 3.207 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@H]2CCN(Cc3ccccc3OC(C)C)C2)no1 ZINC000266112631 1434304437 /nfs/dbraw/zinc/30/44/37/1434304437.db2.gz AUAADPSIWRVKTL-SFHVURJKSA-N 0 1 386.496 3.042 20 0 GGADMN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@@H](O)c1cnn(C)c1 ZINC000266125762 1434305446 /nfs/dbraw/zinc/30/54/46/1434305446.db2.gz BHAOFKJGEYVTRH-QGZVFWFLSA-N 0 1 394.306 3.103 20 0 GGADMN Cc1cc(F)cc2c([O-])c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cnc12 ZINC000266157830 1434307275 /nfs/dbraw/zinc/30/72/75/1434307275.db2.gz NKYSVKHZJHYPSP-QGZVFWFLSA-N 0 1 379.435 3.392 20 0 GGADMN Cc1cc(F)cc2c([O-])c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000266157830 1434307277 /nfs/dbraw/zinc/30/72/77/1434307277.db2.gz NKYSVKHZJHYPSP-QGZVFWFLSA-N 0 1 379.435 3.392 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@@H]2CCN(Cc3cccc(OC(C)C)c3)C2)no1 ZINC000266169824 1434307931 /nfs/dbraw/zinc/30/79/31/1434307931.db2.gz KANGKEDKXKTYNR-GOSISDBHSA-N 0 1 386.496 3.042 20 0 GGADMN Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cc2)o1 ZINC000266182276 1434308918 /nfs/dbraw/zinc/30/89/18/1434308918.db2.gz VISCMPDPGVHENF-HXUWFJFHSA-N 0 1 376.460 3.439 20 0 GGADMN CC(C)CN1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000266199691 1434310328 /nfs/dbraw/zinc/31/03/28/1434310328.db2.gz IAUWCVLLWHTQIZ-UHFFFAOYSA-N 0 1 376.888 3.123 20 0 GGADMN CCCCN(CCCC)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266219448 1434311332 /nfs/dbraw/zinc/31/13/32/1434311332.db2.gz ABDANLRNWVTUPW-UHFFFAOYSA-N 0 1 386.514 3.118 20 0 GGADMN COCCn1cc(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)cn1 ZINC000266223248 1434311439 /nfs/dbraw/zinc/31/14/39/1434311439.db2.gz RQQQAWTVKCLNQW-UHFFFAOYSA-N 0 1 392.503 3.058 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)c3cn(Cc4ccccn4)nn3)cc2[nH]1 ZINC000266225850 1434311696 /nfs/dbraw/zinc/31/16/96/1434311696.db2.gz DCCGHHPPFABYKU-UHFFFAOYSA-N 0 1 375.436 3.148 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000266290568 1434316799 /nfs/dbraw/zinc/31/67/99/1434316799.db2.gz FDUQFXASZYYWTO-HSZRJFAPSA-N 0 1 393.531 3.371 20 0 GGADMN COc1cc(C(=O)N[C@H](C)CCC(C)(C)C)cc(NS(C)(=O)=O)c1OC ZINC000266314421 1434319207 /nfs/dbraw/zinc/31/92/07/1434319207.db2.gz OGENBSPUENVILN-GFCCVEGCSA-N 0 1 386.514 3.020 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)[C@H]2CCOC2)CC1 ZINC000266322877 1434320339 /nfs/dbraw/zinc/32/03/39/1434320339.db2.gz CLXQWKOPXXLRKM-CABCVRRESA-N 0 1 380.920 3.028 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CCN1Cc1ccccc1 ZINC000266359223 1434324512 /nfs/dbraw/zinc/32/45/12/1434324512.db2.gz RIUMIFFPBRAMHF-MRXNPFEDSA-N 0 1 393.487 3.043 20 0 GGADMN CCC[C@]1(C)CCCN(C(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000266366079 1434325637 /nfs/dbraw/zinc/32/56/37/1434325637.db2.gz SUYHHAIIPCBKPQ-LJQANCHMSA-N 0 1 398.525 3.118 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1N1CCOC1=O ZINC000266377885 1434327274 /nfs/dbraw/zinc/32/72/74/1434327274.db2.gz WLKIIYHHDQQHFC-GOSISDBHSA-N 0 1 395.459 3.255 20 0 GGADMN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1N1CCOC1=O ZINC000266377887 1434327324 /nfs/dbraw/zinc/32/73/24/1434327324.db2.gz WLKIIYHHDQQHFC-SFHVURJKSA-N 0 1 395.459 3.255 20 0 GGADMN C[C@H]1CCN(C(=O)c2cc(-n3cccn3)ccn2)CCN1Cc1ccccc1 ZINC000266382062 1434328072 /nfs/dbraw/zinc/32/80/72/1434328072.db2.gz XOTVVMSWXMMZBZ-SFHVURJKSA-N 0 1 375.476 3.004 20 0 GGADMN Cc1csc([C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C2CC2)n1 ZINC000266467763 1434340609 /nfs/dbraw/zinc/34/06/09/1434340609.db2.gz GCJSTTJCPJLPCK-SFHVURJKSA-N 0 1 385.537 3.261 20 0 GGADMN C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000266490065 1434343022 /nfs/dbraw/zinc/34/30/22/1434343022.db2.gz JBLXXPGYXVOTSJ-DYVFJYSZSA-N 0 1 395.429 3.074 20 0 GGADMN CCOc1ccccc1OCCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000266520904 1434346192 /nfs/dbraw/zinc/34/61/92/1434346192.db2.gz IMWRNGRNMQBDLE-UHFFFAOYSA-N 0 1 390.446 3.051 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)N2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000266529949 1434346784 /nfs/dbraw/zinc/34/67/84/1434346784.db2.gz KLPDZVGJAQONTK-IBGZPJMESA-N 0 1 399.926 3.143 20 0 GGADMN O=C(CN1CCC2(C1)CCOCC2)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000266542109 1434347969 /nfs/dbraw/zinc/34/79/69/1434347969.db2.gz IUARVYGGBCREQN-QGZVFWFLSA-N 0 1 383.448 3.053 20 0 GGADMN O=C(CN1CCC2(C1)CCOCC2)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000266542108 1434348068 /nfs/dbraw/zinc/34/80/68/1434348068.db2.gz IUARVYGGBCREQN-KRWDZBQOSA-N 0 1 383.448 3.053 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(OC)cccc1OC ZINC000266555053 1434349194 /nfs/dbraw/zinc/34/91/94/1434349194.db2.gz TUPQFHFWIBGQPI-UHFFFAOYSA-N 0 1 399.491 3.107 20 0 GGADMN COCCOC[C@@H]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000266609687 1434354149 /nfs/dbraw/zinc/35/41/49/1434354149.db2.gz VSNNOMNBYMCTTR-IFMALSPDSA-N 0 1 382.504 3.029 20 0 GGADMN CC(C)CO[C@H](C)c1noc(CSc2nc(O)cc(=O)n2C2CCCC2)n1 ZINC000266622426 1434355449 /nfs/dbraw/zinc/35/54/49/1434355449.db2.gz LQQLHXOOXYUPFV-GFCCVEGCSA-N 0 1 394.497 3.473 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3sc(C)nc3C)CC2)cc1 ZINC000266638105 1434357358 /nfs/dbraw/zinc/35/73/58/1434357358.db2.gz XRDWOPPCQGPKDV-UHFFFAOYSA-N 0 1 388.537 3.186 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C[C@@H]1CCOC1)C1CC1 ZINC000266658868 1434360398 /nfs/dbraw/zinc/36/03/98/1434360398.db2.gz LHKLQXRNXPXRIX-SFHVURJKSA-N 0 1 382.508 3.237 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC4(C3)CCOCC4)c2C1 ZINC000266662285 1434360910 /nfs/dbraw/zinc/36/09/10/1434360910.db2.gz QLOVMFDFTDKCMU-KRWDZBQOSA-N 0 1 399.535 3.014 20 0 GGADMN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cnc(-c3ccccc3)[nH]2)n1 ZINC000266682727 1434363284 /nfs/dbraw/zinc/36/32/84/1434363284.db2.gz LPNVMVQPDIYLNQ-AWEZNQCLSA-N 0 1 383.452 3.466 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCCC(F)(F)F)c2C1 ZINC000266683042 1434363297 /nfs/dbraw/zinc/36/32/97/1434363297.db2.gz VSRPCJIGZZJRGJ-ZDUSSCGKSA-N 0 1 385.430 3.444 20 0 GGADMN CCN(C)[C@H](C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1)c1ccccc1 ZINC000266701998 1434365432 /nfs/dbraw/zinc/36/54/32/1434365432.db2.gz PZFLLPPQXXKXFE-LPHOPBHVSA-N 0 1 388.512 3.455 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000266709846 1434366084 /nfs/dbraw/zinc/36/60/84/1434366084.db2.gz SQAGXIDEHQPGHN-JKSUJKDBSA-N 0 1 389.540 3.305 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@H](C)c2cnn(C)c2)N2CCCCC2)cc1 ZINC000266709445 1434366188 /nfs/dbraw/zinc/36/61/88/1434366188.db2.gz QEIFJFGVIWQNPP-OXQOHEQNSA-N 0 1 385.512 3.016 20 0 GGADMN CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@H](COCCOC)C1 ZINC000266714369 1434366787 /nfs/dbraw/zinc/36/67/87/1434366787.db2.gz GDTISTBPOIPMDG-INIZCTEOSA-N 0 1 388.464 3.003 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCC3(C2)CCOCC3)N2CCCC2)c1 ZINC000266724848 1434367898 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O=C(N[C@@H]1CCCc2cn[nH]c21)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000268995490 1434579715 /nfs/dbraw/zinc/57/97/15/1434579715.db2.gz GCQIYSFRSCNSEX-QGZVFWFLSA-N 0 1 391.475 3.074 20 0 GGADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000268997546 1434580023 /nfs/dbraw/zinc/58/00/23/1434580023.db2.gz RKUKJSXOBRTVEU-XJKSGUPXSA-N 0 1 398.525 3.116 20 0 GGADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000268997535 1434580052 /nfs/dbraw/zinc/58/00/52/1434580052.db2.gz RKUKJSXOBRTVEU-BBRMVZONSA-N 0 1 398.525 3.116 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)C(=O)N[C@H]3CCCc4cn[nH]c43)cc2s1 ZINC000269004258 1434580524 /nfs/dbraw/zinc/58/05/24/1434580524.db2.gz RHUDJRKLTOSQBQ-AWEZNQCLSA-N 0 1 397.504 3.449 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H]1CCOC1 ZINC000269012827 1434581353 /nfs/dbraw/zinc/58/13/53/1434581353.db2.gz NJXPVDKLGWCHMJ-ZBFHGGJFSA-N 0 1 378.469 3.141 20 0 GGADMN O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269017401 1434581994 /nfs/dbraw/zinc/58/19/94/1434581994.db2.gz UNHYZMTZYPISKL-CQSZACIVSA-N 0 1 380.370 3.037 20 0 GGADMN O=C(Nc1cccc(CCC(F)(F)F)c1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269017400 1434582025 /nfs/dbraw/zinc/58/20/25/1434582025.db2.gz UNHYZMTZYPISKL-AWEZNQCLSA-N 0 1 380.370 3.037 20 0 GGADMN Cc1c(C(=O)N[C@H]2CCCc3cn[nH]c32)sc2nc3n(c(=O)c12)CCCCC3 ZINC000269020853 1434582318 /nfs/dbraw/zinc/58/23/18/1434582318.db2.gz VCIPFHVKQQMTKB-ZDUSSCGKSA-N 0 1 397.504 3.023 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000269023393 1434582917 /nfs/dbraw/zinc/58/29/17/1434582917.db2.gz VIAFNABMZPCVQB-DLBZAZTESA-N 0 1 384.480 3.212 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000269023397 1434582992 /nfs/dbraw/zinc/58/29/92/1434582992.db2.gz VIAFNABMZPCVQB-IRXDYDNUSA-N 0 1 384.480 3.212 20 0 GGADMN CN(C[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1)C(=O)OC(C)(C)C ZINC000269025512 1434582996 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1434666015 /nfs/dbraw/zinc/66/60/15/1434666015.db2.gz RGJHMTGEKGTVJI-VQIMIIECSA-N 0 1 398.569 3.120 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCCC[C@@H](SC)C1 ZINC000269655161 1434667134 /nfs/dbraw/zinc/66/71/34/1434667134.db2.gz NFDWRSZVNPGPEU-CZUORRHYSA-N 0 1 379.526 3.198 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCCCCC2)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000269677327 1434668662 /nfs/dbraw/zinc/66/86/62/1434668662.db2.gz DGPHKBDUEZZJAR-GOSISDBHSA-N 0 1 390.509 3.026 20 0 GGADMN O=S(=O)(Nc1ccc(N2CCCCCC2)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000269677330 1434668749 /nfs/dbraw/zinc/66/87/49/1434668749.db2.gz DGPHKBDUEZZJAR-SFHVURJKSA-N 0 1 390.509 3.026 20 0 GGADMN CCOC(=O)NCCCC(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000269728230 1434672620 /nfs/dbraw/zinc/67/26/20/1434672620.db2.gz FKSRNJVXFZTBNT-UHFFFAOYSA-N 0 1 379.526 3.009 20 0 GGADMN O=C(C[C@H]1CSCCS1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000269756936 1434674126 /nfs/dbraw/zinc/67/41/26/1434674126.db2.gz VHKFGSIIYJLVCE-INIZCTEOSA-N 0 1 388.562 3.416 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CSCCS1 ZINC000269763474 1434674136 /nfs/dbraw/zinc/67/41/36/1434674136.db2.gz KRWDRGWIMGZHMK-MRXNPFEDSA-N 0 1 395.594 3.014 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000269896127 1434684994 /nfs/dbraw/zinc/68/49/94/1434684994.db2.gz FGKLAYUIHJGKAR-UHFFFAOYSA-N 0 1 385.468 3.447 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3-c3nnc[nH]3)C2)cc1 ZINC000269909023 1434685951 /nfs/dbraw/zinc/68/59/51/1434685951.db2.gz JCYUSEHWPGVTFS-QGZVFWFLSA-N 0 1 389.459 3.271 20 0 GGADMN CCc1nc(CN(C(C)=O)[C@H]2CCN(c3cc(C)nc4ccc(F)cc43)C2)no1 ZINC000269959083 1434690346 /nfs/dbraw/zinc/69/03/46/1434690346.db2.gz UKCFBEMUEPQIRW-INIZCTEOSA-N 0 1 397.454 3.255 20 0 GGADMN Cn1cnc2cc(C(=O)N3CCC(c4nnc(-c5ccccc5)[nH]4)CC3)ccc21 ZINC000269984102 1434691861 /nfs/dbraw/zinc/69/18/61/1434691861.db2.gz POCHTDRCBMKTMH-UHFFFAOYSA-N 0 1 386.459 3.378 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[nH]1 ZINC000269997056 1434692401 /nfs/dbraw/zinc/69/24/01/1434692401.db2.gz LIBIUPVQQIEKRP-UHFFFAOYSA-N 0 1 377.470 3.499 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)n1 ZINC000269997056 1434692402 /nfs/dbraw/zinc/69/24/02/1434692402.db2.gz LIBIUPVQQIEKRP-UHFFFAOYSA-N 0 1 377.470 3.499 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000270019766 1434693954 /nfs/dbraw/zinc/69/39/54/1434693954.db2.gz AHUVRNZBACJRPY-PMOSDDBASA-N 0 1 389.521 3.214 20 0 GGADMN CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 ZINC000270038079 1434695402 /nfs/dbraw/zinc/69/54/02/1434695402.db2.gz JHPCASKZIWWPFJ-UHFFFAOYSA-N 0 1 399.516 3.460 20 0 GGADMN CC[C@@H](NC(=O)Cc1[nH]nc2ccccc21)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270075491 1434700004 /nfs/dbraw/zinc/70/00/04/1434700004.db2.gz DMLRLJAMFHDGNF-XMSQKQJNSA-N 0 1 388.475 3.190 20 0 GGADMN CC[C@H](NC(=O)Cc1[nH]nc2ccccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270075488 1434700030 /nfs/dbraw/zinc/70/00/30/1434700030.db2.gz DMLRLJAMFHDGNF-AVRDEDQJSA-N 0 1 388.475 3.190 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000270088540 1434701588 /nfs/dbraw/zinc/70/15/88/1434701588.db2.gz ASKOBPWBMALLSX-SJLPKXTDSA-N 0 1 378.480 3.319 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1cc(=O)n2ccsc2n1 ZINC000270114623 1434704541 /nfs/dbraw/zinc/70/45/41/1434704541.db2.gz DWOGNURUWPTGPG-MRXNPFEDSA-N 0 1 379.489 3.079 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000270179215 1434709779 /nfs/dbraw/zinc/70/97/79/1434709779.db2.gz BKNFNBFGTYZDNV-MRXNPFEDSA-N 0 1 394.475 3.157 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000270180490 1434710173 /nfs/dbraw/zinc/71/01/73/1434710173.db2.gz BMXGVTRTMLLUJS-LJQANCHMSA-N 0 1 391.475 3.098 20 0 GGADMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000270203744 1434712776 /nfs/dbraw/zinc/71/27/76/1434712776.db2.gz KAGAKIOQEAYAKZ-OAHLLOKOSA-N 0 1 390.505 3.168 20 0 GGADMN C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000270220211 1434714301 /nfs/dbraw/zinc/71/43/01/1434714301.db2.gz MVJKIZYKAYZMST-GUYCJALGSA-N 0 1 395.550 3.096 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)c2)no1 ZINC000270233042 1434715062 /nfs/dbraw/zinc/71/50/62/1434715062.db2.gz IRZOOWHTPHDUDD-KRWDZBQOSA-N 0 1 386.477 3.051 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000270230281 1434715252 /nfs/dbraw/zinc/71/52/52/1434715252.db2.gz QSJIOQQFPZTYJY-MRXNPFEDSA-N 0 1 386.927 3.196 20 0 GGADMN COCCn1ccc(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)n1 ZINC000270256271 1434717197 /nfs/dbraw/zinc/71/71/97/1434717197.db2.gz VESLTAVNZRZLEX-UHFFFAOYSA-N 0 1 393.369 3.499 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2CCCc3ccccc32)cc1 ZINC000270273919 1434718812 /nfs/dbraw/zinc/71/88/12/1434718812.db2.gz WVRRNBHPFBFCGE-INIZCTEOSA-N 0 1 386.517 3.110 20 0 GGADMN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(C)Cc1nnc[nH]1)OCC3 ZINC000270289995 1434720086 /nfs/dbraw/zinc/72/00/86/1434720086.db2.gz AKECIRKNASVHCO-OAQYLSRUSA-N 0 1 381.480 3.075 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000270346196 1434725035 /nfs/dbraw/zinc/72/50/35/1434725035.db2.gz QVTVMQKIPQOPKW-CYBMUJFWSA-N 0 1 390.459 3.355 20 0 GGADMN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000270351804 1434725579 /nfs/dbraw/zinc/72/55/79/1434725579.db2.gz CKWLOEVOODIHFF-CYBMUJFWSA-N 0 1 396.394 3.075 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](c3ccc(F)c(C)c3)C3CC3)C2)CC1 ZINC000270355056 1434725772 /nfs/dbraw/zinc/72/57/72/1434725772.db2.gz HHDIPBFFUOYYMZ-TZIWHRDSSA-N 0 1 388.531 3.007 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](c3ccc(F)c(C)c3)C3CC3)C2)CC1 ZINC000270355053 1434725935 /nfs/dbraw/zinc/72/59/35/1434725935.db2.gz HHDIPBFFUOYYMZ-PZJWPPBQSA-N 0 1 388.531 3.007 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](c3ccc(F)c(C)c3)C3CC3)C2)CC1 ZINC000270355047 1434725973 /nfs/dbraw/zinc/72/59/73/1434725973.db2.gz HHDIPBFFUOYYMZ-CTNGQTDRSA-N 0 1 388.531 3.007 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c1 ZINC000270359598 1434726447 /nfs/dbraw/zinc/72/64/47/1434726447.db2.gz GGKULFSHHKQQIK-CYBMUJFWSA-N 0 1 377.462 3.012 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)C(F)(F)c1c(F)cccc1F ZINC000270363682 1434726694 /nfs/dbraw/zinc/72/66/94/1434726694.db2.gz RVGUJPJMROBVSZ-UHFFFAOYSA-N 0 1 381.373 3.232 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000270364156 1434726949 /nfs/dbraw/zinc/72/69/49/1434726949.db2.gz LBMAVJTUNUGQJO-OAHLLOKOSA-N 0 1 376.501 3.119 20 0 GGADMN CCOC(=O)C1C(CSC2=N[C@H](C)CS2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000270400055 1434730230 /nfs/dbraw/zinc/73/02/30/1434730230.db2.gz JVDLWTKQSMCTBS-IAQYHMDHSA-N 0 1 391.518 3.082 20 0 GGADMN CCOC(=O)C1C(CSC2=N[C@@H](C)CS2)=NC(=O)N[C@H]1c1ccccc1 ZINC000270400059 1434730317 /nfs/dbraw/zinc/73/03/17/1434730317.db2.gz JVDLWTKQSMCTBS-NHYWBVRUSA-N 0 1 391.518 3.082 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1ccccc1CCC(F)(F)F)N1CCN(C)CC1 ZINC000270436990 1434733140 /nfs/dbraw/zinc/73/31/40/1434733140.db2.gz QASMNFXDZBYVER-GOSISDBHSA-N 0 1 385.474 3.183 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+]2Cc3ccccc3C(C)(C)C2)C1=O ZINC000270473481 1434736568 /nfs/dbraw/zinc/73/65/68/1434736568.db2.gz ZVTBWEYIZNPJBQ-LJQANCHMSA-N 0 1 392.455 3.119 20 0 GGADMN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+]2Cc3ccccc3C(C)(C)C2)C1=O ZINC000270473481 1434736571 /nfs/dbraw/zinc/73/65/71/1434736571.db2.gz ZVTBWEYIZNPJBQ-LJQANCHMSA-N 0 1 392.455 3.119 20 0 GGADMN CN(Cc1ccon1)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270550237 1434743819 /nfs/dbraw/zinc/74/38/19/1434743819.db2.gz BKJTUNAIWQHVAX-CXAGYDPISA-N 0 1 380.851 3.302 20 0 GGADMN CN(Cc1ccon1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270550243 1434743960 /nfs/dbraw/zinc/74/39/60/1434743960.db2.gz BKJTUNAIWQHVAX-SUMWQHHRSA-N 0 1 380.851 3.302 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(-c4ccccc4)cnc3C)C2)CC1 ZINC000270572309 1434745848 /nfs/dbraw/zinc/74/58/48/1434745848.db2.gz GWSZEDYXOHYEJE-OAQYLSRUSA-N 0 1 393.535 3.301 20 0 GGADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)n[nH]1 ZINC000270578434 1434746667 /nfs/dbraw/zinc/74/66/67/1434746667.db2.gz ALXKACQOEWOINO-LBPRGKRZSA-N 0 1 387.509 3.218 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270580278 1434746797 /nfs/dbraw/zinc/74/67/97/1434746797.db2.gz AEDODVNZKYRTGM-AWEZNQCLSA-N 0 1 381.484 3.291 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270581905 1434746802 /nfs/dbraw/zinc/74/68/02/1434746802.db2.gz ANKLAHRLLZXAOJ-FXAWDEMLSA-N 0 1 388.556 3.462 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270580282 1434746842 /nfs/dbraw/zinc/74/68/42/1434746842.db2.gz AEDODVNZKYRTGM-CQSZACIVSA-N 0 1 381.484 3.291 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC000270588791 1434747664 /nfs/dbraw/zinc/74/76/64/1434747664.db2.gz BFIWDLOIRNEKBG-YGRLFVJLSA-N 0 1 379.411 3.406 20 0 GGADMN CCOC(=O)Cn1ccc2cc(NC(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)ccc21 ZINC000270587550 1434747796 /nfs/dbraw/zinc/74/77/96/1434747796.db2.gz BBTQUSDIURWOTH-ZDUSSCGKSA-N 0 1 398.467 3.329 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cccc(COCC(F)(F)F)c2)n[nH]1 ZINC000270592943 1434747961 /nfs/dbraw/zinc/74/79/61/1434747961.db2.gz CRJGCOWVBDENJB-LLVKDONJSA-N 0 1 385.390 3.006 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Cc2csc(COc3ccc(C)cc3)n2)n[nH]1 ZINC000270595433 1434748307 /nfs/dbraw/zinc/74/83/07/1434748307.db2.gz CEWPGCMCFQPKRO-CYBMUJFWSA-N 0 1 385.493 3.131 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@H]2CCc3n[nH]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270595724 1434748363 /nfs/dbraw/zinc/74/83/63/1434748363.db2.gz FVULEWRJLYXPED-IQUTYRLHSA-N 0 1 390.890 3.116 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CCc3n[nH]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270595726 1434748542 /nfs/dbraw/zinc/74/85/42/1434748542.db2.gz FVULEWRJLYXPED-LPMFXHHGSA-N 0 1 390.890 3.116 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000270606261 1434749492 /nfs/dbraw/zinc/74/94/92/1434749492.db2.gz BTSDFJISCYNLGJ-UXPWSPDFSA-N 0 1 388.556 3.500 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n[nH]1 ZINC000270606893 1434749749 /nfs/dbraw/zinc/74/97/49/1434749749.db2.gz DIAJCTKDLPTASF-OAHLLOKOSA-N 0 1 398.511 3.366 20 0 GGADMN COc1cc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc(OC)c1OC(F)F ZINC000270610325 1434750211 /nfs/dbraw/zinc/75/02/11/1434750211.db2.gz FFRXUXYMHHSOBW-SECBINFHSA-N 0 1 384.383 3.038 20 0 GGADMN CCc1nnc([C@H](C)NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000270614091 1434751015 /nfs/dbraw/zinc/75/10/15/1434751015.db2.gz FDNTTZFFSUJNFX-ZDUSSCGKSA-N 0 1 390.919 3.045 20 0 GGADMN CCOc1cc(C(=O)N[C@H](C)c2n[nH]c(CC)n2)cc(OCC)c1OCC ZINC000270615578 1434751124 /nfs/dbraw/zinc/75/11/24/1434751124.db2.gz FXMDVMCKJFNTSQ-GFCCVEGCSA-N 0 1 376.457 3.054 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)n[nH]1 ZINC000270617124 1434751636 /nfs/dbraw/zinc/75/16/36/1434751636.db2.gz FMBYRKZXCHQAMS-SNVBAGLBSA-N 0 1 398.389 3.103 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2sc(COc3ccc(F)cc3)nc2C)n[nH]1 ZINC000270618612 1434751662 /nfs/dbraw/zinc/75/16/62/1434751662.db2.gz GKJFZUFJSSAOCF-LLVKDONJSA-N 0 1 389.456 3.341 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n[nH]1 ZINC000270624287 1434752325 /nfs/dbraw/zinc/75/23/25/1434752325.db2.gz GFIJAPCYIGFZJA-ZDUSSCGKSA-N 0 1 384.484 3.227 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2cccc(OCC(F)(F)F)c2)n[nH]1 ZINC000270625726 1434752671 /nfs/dbraw/zinc/75/26/71/1434752671.db2.gz GMKITRIDECORNP-LLVKDONJSA-N 0 1 385.390 3.430 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)n[nH]1 ZINC000270627086 1434752767 /nfs/dbraw/zinc/75/27/67/1434752767.db2.gz GOSMTQVCCBBCLL-GFCCVEGCSA-N 0 1 392.891 3.301 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2cccc(OCC(F)(F)F)c2)n[nH]1 ZINC000270625728 1434752892 /nfs/dbraw/zinc/75/28/92/1434752892.db2.gz GMKITRIDECORNP-NSHDSACASA-N 0 1 385.390 3.430 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1 ZINC000270629625 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/nfs/dbraw/zinc/76/74/10/1434767410.db2.gz YHUNAETYYUWFKL-GFCCVEGCSA-N 0 1 396.451 3.016 20 0 GGADMN Cc1ccccc1C1(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)CCOCC1 ZINC000270749783 1434769700 /nfs/dbraw/zinc/76/97/00/1434769700.db2.gz OJIWOUPOSXIOHH-INIZCTEOSA-N 0 1 385.512 3.345 20 0 GGADMN COc1ccc(CCNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC(F)F ZINC000270752067 1434769743 /nfs/dbraw/zinc/76/97/43/1434769743.db2.gz OSIGCPKTZXNESJ-LLVKDONJSA-N 0 1 397.426 3.141 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n[nH]1 ZINC000270750854 1434769756 /nfs/dbraw/zinc/76/97/56/1434769756.db2.gz MVBROQBMXXNYLN-ZDUSSCGKSA-N 0 1 399.882 3.283 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)n[nH]1 ZINC000270749701 1434769770 /nfs/dbraw/zinc/76/97/70/1434769770.db2.gz OHTHJDNKZJCTAY-VIFPVBQESA-N 0 1 387.362 3.200 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)n[nH]1 ZINC000270748654 1434769888 /nfs/dbraw/zinc/76/98/88/1434769888.db2.gz OEMUMTVFSKRNLV-CYBMUJFWSA-N 0 1 391.903 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COc1ccc(Cl)cc1NCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270838144 1434780166 /nfs/dbraw/zinc/78/01/66/1434780166.db2.gz HIWDEVPXGIMFRV-CYBMUJFWSA-N 0 1 389.887 3.162 20 0 GGADMN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270839236 1434780279 /nfs/dbraw/zinc/78/02/79/1434780279.db2.gz HPPDRSHMTXTMPB-LBPRGKRZSA-N 0 1 381.411 3.095 20 0 GGADMN COc1ccc(Cl)cc1NCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270838145 1434780340 /nfs/dbraw/zinc/78/03/40/1434780340.db2.gz HIWDEVPXGIMFRV-ZDUSSCGKSA-N 0 1 389.887 3.162 20 0 GGADMN O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270842652 1434780495 /nfs/dbraw/zinc/78/04/95/1434780495.db2.gz IGPMKBNUFJCSTM-CYBMUJFWSA-N 0 1 383.477 3.347 20 0 GGADMN O=C(Nc1ccc(N2CCCCC2)nc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270863808 1434782510 /nfs/dbraw/zinc/78/25/10/1434782510.db2.gz KONYWNIVAXRORB-MRXNPFEDSA-N 0 1 395.511 3.479 20 0 GGADMN O=C(COc1ccccc1C(F)(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270862972 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NC(=O)CCC1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000271087658 1434801132 /nfs/dbraw/zinc/80/11/32/1434801132.db2.gz GUGNYDDOQUCAKE-UHFFFAOYSA-N 0 1 395.503 3.182 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)n[nH]1 ZINC000271107868 1434802322 /nfs/dbraw/zinc/80/23/22/1434802322.db2.gz IECPZTZXBOPNNS-LBPRGKRZSA-N 0 1 377.448 3.360 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)n[nH]1 ZINC000271107867 1434802475 /nfs/dbraw/zinc/80/24/75/1434802475.db2.gz IECPZTZXBOPNNS-GFCCVEGCSA-N 0 1 377.448 3.360 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000271107070 1434802482 /nfs/dbraw/zinc/80/24/82/1434802482.db2.gz LOIQEDAZQZUYJP-ZWKOTPCHSA-N 0 1 395.503 3.084 20 0 GGADMN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)n2)n1 ZINC000271130454 1434803652 /nfs/dbraw/zinc/80/36/52/1434803652.db2.gz MSHJEOPHNHTKSE-GFCCVEGCSA-N 0 1 387.875 3.270 20 0 GGADMN Cc1ccn2ncc(C(=O)N3CCC(c4nnc(-c5ccccc5)[nH]4)CC3)c2c1 ZINC000271131509 1434803728 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C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC000271229472 1434809633 /nfs/dbraw/zinc/80/96/33/1434809633.db2.gz IFVJKCQRAXQLGD-QAPCUYQASA-N 0 1 399.457 3.490 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2ccccc2CN2CCc3ccccc32)n1 ZINC000271232975 1434809849 /nfs/dbraw/zinc/80/98/49/1434809849.db2.gz AAXCHEHMEHJQCV-UHFFFAOYSA-N 0 1 376.464 3.040 20 0 GGADMN COc1ccccc1COC1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000271236829 1434810077 /nfs/dbraw/zinc/81/00/77/1434810077.db2.gz DPQJRKJLHJQKMA-GOSISDBHSA-N 0 1 384.480 3.187 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000271247376 1434810692 /nfs/dbraw/zinc/81/06/92/1434810692.db2.gz GLWJYJLGLYPZAZ-GFCCVEGCSA-N 0 1 380.370 3.286 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000271247379 1434810762 /nfs/dbraw/zinc/81/07/62/1434810762.db2.gz GLWJYJLGLYPZAZ-LBPRGKRZSA-N 0 1 380.370 3.286 20 0 GGADMN COc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Cl)n1 ZINC000271251168 1434810921 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375.538 3.415 20 0 GGADMN COC(=O)c1ccc(-c2nc(CN3CCC(CCC(N)=O)CC3)cs2)cc1 ZINC000271261526 1434811591 /nfs/dbraw/zinc/81/15/91/1434811591.db2.gz UVEHOYVOVSMZOW-UHFFFAOYSA-N 0 1 387.505 3.074 20 0 GGADMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1sc(CCOC)nc1C ZINC000271309647 1434815013 /nfs/dbraw/zinc/81/50/13/1434815013.db2.gz IHFZHLDLVJSPRW-OAHLLOKOSA-N 0 1 375.538 3.340 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(Cc3nc4cc(C(F)(F)F)ccc4n3C)C2)n1 ZINC000271337923 1434817135 /nfs/dbraw/zinc/81/71/35/1434817135.db2.gz OCZMWDOPPJIKDI-LBPRGKRZSA-N 0 1 378.402 3.398 20 0 GGADMN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2c(C)n[nH]c2C(F)F)CC1=O ZINC000271341484 1434817580 /nfs/dbraw/zinc/81/75/80/1434817580.db2.gz JULNZNKXRVEFFL-VIFPVBQESA-N 0 1 398.797 3.309 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000271347524 1434818023 /nfs/dbraw/zinc/81/80/23/1434818023.db2.gz OBTKSKVHQQDZJU-UHFFFAOYSA-N 0 1 398.482 3.131 20 0 GGADMN Cc1cc2ncc([C@@H](C)NCc3cc(F)ccc3N3CCOCC3)c(C)n2n1 ZINC000271354733 1434818685 /nfs/dbraw/zinc/81/86/85/1434818685.db2.gz DUCXBSXKBCWCPV-OAHLLOKOSA-N 0 1 383.471 3.173 20 0 GGADMN CCN(C[C@@H]1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)C1)CC(F)(F)F ZINC000271359997 1434819005 /nfs/dbraw/zinc/81/90/05/1434819005.db2.gz ZZVBOGRDGIEUAK-KGLIPLIRSA-N 0 1 382.430 3.340 20 0 GGADMN COC(=O)CCn1nc(C)c(CN(CCCO)Cc2cccc(Cl)c2)c1C ZINC000271387975 1434820945 /nfs/dbraw/zinc/82/09/45/1434820945.db2.gz SPINOWGFUJATHK-UHFFFAOYSA-N 0 1 393.915 3.101 20 0 GGADMN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3c[nH]c4ncccc34)ccc21 ZINC000271385704 1434820967 /nfs/dbraw/zinc/82/09/67/1434820967.db2.gz PLLDWHUENQLJDJ-UHFFFAOYSA-N 0 1 384.461 3.053 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000271393024 1434821323 /nfs/dbraw/zinc/82/13/23/1434821323.db2.gz KGOLWAFNUGZTPT-XJKSGUPXSA-N 0 1 390.390 3.107 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000271393023 1434821327 /nfs/dbraw/zinc/82/13/27/1434821327.db2.gz KGOLWAFNUGZTPT-CZUORRHYSA-N 0 1 390.390 3.107 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000271393021 1434821351 /nfs/dbraw/zinc/82/13/51/1434821351.db2.gz KGOLWAFNUGZTPT-BBRMVZONSA-N 0 1 390.390 3.107 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CCO[C@H](C)C2)CC1 ZINC000271399610 1434821999 /nfs/dbraw/zinc/82/19/99/1434821999.db2.gz NKFAODFWBXEMKD-GDBMZVCRSA-N 0 1 380.920 3.171 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000271425721 1434823735 /nfs/dbraw/zinc/82/37/35/1434823735.db2.gz QXMDAHYELWHEEQ-KGLIPLIRSA-N 0 1 385.464 3.410 20 0 GGADMN COc1ccc(NC(=O)CN2CCC[C@@H]2Cn2cnc3ccccc32)c(OC)c1 ZINC000271428086 1434823931 /nfs/dbraw/zinc/82/39/31/1434823931.db2.gz SKMQSYRYCVSKMV-MRXNPFEDSA-N 0 1 394.475 3.157 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000271455310 1434826237 /nfs/dbraw/zinc/82/62/37/1434826237.db2.gz GQLDLLQZBZVPDA-UZLBHIALSA-N 0 1 386.517 3.245 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000271455299 1434826281 /nfs/dbraw/zinc/82/62/81/1434826281.db2.gz GQLDLLQZBZVPDA-JXFKEZNVSA-N 0 1 386.517 3.245 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(c2ncccc2F)CC1 ZINC000271458685 1434826515 /nfs/dbraw/zinc/82/65/15/1434826515.db2.gz POBNQQPDJMUWRN-UHFFFAOYSA-N 0 1 390.369 3.389 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000271468690 1434827379 /nfs/dbraw/zinc/82/73/79/1434827379.db2.gz LJGRUBWKWSURED-HOTGVXAUSA-N 0 1 386.517 3.109 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000271485327 1434828673 /nfs/dbraw/zinc/82/86/73/1434828673.db2.gz NZQUJQGAVCPRAK-KSSFIOAISA-N 0 1 390.480 3.075 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000271485325 1434828686 /nfs/dbraw/zinc/82/86/86/1434828686.db2.gz NZQUJQGAVCPRAK-KBXCAEBGSA-N 0 1 390.480 3.075 20 0 GGADMN COc1cc([C@H](C)N[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1S(C)(=O)=O ZINC000271505099 1434830256 /nfs/dbraw/zinc/83/02/56/1434830256.db2.gz MMUZAEVXHPFZOC-KXTXEXGHSA-N 0 1 395.546 3.248 20 0 GGADMN COc1ccc(-c2nc3c(s2)[C@H](N[C@H](CO)c2cnn(C)c2)CCC3)cc1 ZINC000271511373 1434830845 /nfs/dbraw/zinc/83/08/45/1434830845.db2.gz NDUDAFATZBHNEZ-SJLPKXTDSA-N 0 1 384.505 3.253 20 0 GGADMN COCCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271512206 1434830863 /nfs/dbraw/zinc/83/08/63/1434830863.db2.gz SMGNNUXMNGRJAC-YLJYHZDGSA-N 0 1 398.503 3.172 20 0 GGADMN COc1cc([C@@H](C)N[C@H](C)C(=O)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000271517101 1434831171 /nfs/dbraw/zinc/83/11/71/1434831171.db2.gz UECYMQYQIKKUJW-HZPDHXFCSA-N 0 1 398.503 3.336 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000271523599 1434831729 /nfs/dbraw/zinc/83/17/29/1434831729.db2.gz WBRKDCOQBXXSST-HNNXBMFYSA-N 0 1 399.401 3.423 20 0 GGADMN O=C(NCC1N=NC(=S)N1C1CC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000271548131 1434833779 /nfs/dbraw/zinc/83/37/79/1434833779.db2.gz ZZEHPCOTVJHVJR-UHFFFAOYSA-N 0 1 379.396 3.037 20 0 GGADMN CCc1nn(C)cc1NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000271552673 1434834441 /nfs/dbraw/zinc/83/44/41/1434834441.db2.gz KEXLSYRBHKHXSY-HXUWFJFHSA-N 0 1 385.512 3.340 20 0 GGADMN CC(=O)NCc1ccc(NCc2c(Cl)cccc2N2CCN(C)CC2)cc1 ZINC000271577790 1434836323 /nfs/dbraw/zinc/83/63/23/1434836323.db2.gz YAOLFBZPRDZVOF-UHFFFAOYSA-N 0 1 386.927 3.340 20 0 GGADMN Cc1cc(C2CCN([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)n[nH]1 ZINC000271592693 1434837496 /nfs/dbraw/zinc/83/74/96/1434837496.db2.gz GAOWZUQNLXKILU-INIZCTEOSA-N 0 1 379.508 3.126 20 0 GGADMN Cc1cc(C2CCN([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)[nH]n1 ZINC000271592693 1434837497 /nfs/dbraw/zinc/83/74/97/1434837497.db2.gz GAOWZUQNLXKILU-INIZCTEOSA-N 0 1 379.508 3.126 20 0 GGADMN CCc1nn(C)cc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000271596563 1434837973 /nfs/dbraw/zinc/83/79/73/1434837973.db2.gz WQUPIITWVXGWRN-HNNXBMFYSA-N 0 1 395.429 3.397 20 0 GGADMN CCc1nn(C)cc1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000271604837 1434838518 /nfs/dbraw/zinc/83/85/18/1434838518.db2.gz YOJKFMOVYLLLJA-IBGZPJMESA-N 0 1 385.512 3.340 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N([C@H](C)C2CC2)C2CC2)cc(OC)c1OC ZINC000271637693 1434840961 /nfs/dbraw/zinc/84/09/61/1434840961.db2.gz CCSFYHRFEPRRNA-ZIAGYGMSSA-N 0 1 376.497 3.153 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000271636840 1434840989 /nfs/dbraw/zinc/84/09/89/1434840989.db2.gz AASQTGYMOXKMBO-GJZGRUSLSA-N 0 1 383.448 3.330 20 0 GGADMN COc1cc([C@H](C)NCC(=O)NCCC2=CCCCC2)cc(OC)c1OC ZINC000271642305 1434841414 /nfs/dbraw/zinc/84/14/14/1434841414.db2.gz CTMLJPDWCGECLI-HNNXBMFYSA-N 0 1 376.497 3.370 20 0 GGADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN[C@H](CCCO)c1ccccc1 ZINC000271646806 1434841525 /nfs/dbraw/zinc/84/15/25/1434841525.db2.gz ACYOWUCZFFMCLG-LJQANCHMSA-N 0 1 392.446 3.350 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000271653087 1434842047 /nfs/dbraw/zinc/84/20/47/1434842047.db2.gz FLAJGRJPPPUKSQ-CQSZACIVSA-N 0 1 383.448 3.029 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@H](C)c2ccccc2OC(F)F)cc1 ZINC000271654410 1434842143 /nfs/dbraw/zinc/84/21/43/1434842143.db2.gz FQXWXNUACSZNFL-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000271655491 1434842354 /nfs/dbraw/zinc/84/23/54/1434842354.db2.gz NHJWTDJRFXHFBY-BFYDXBDKSA-N 0 1 378.835 3.409 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000271657256 1434842458 /nfs/dbraw/zinc/84/24/58/1434842458.db2.gz GAYHKUFQUJTXDS-GJZGRUSLSA-N 0 1 399.491 3.190 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC(C)(OC)CC1)N1CCCC1 ZINC000271658661 1434842504 /nfs/dbraw/zinc/84/25/04/1434842504.db2.gz CSGOTSZNGNJFHT-GOSISDBHSA-N 0 1 375.513 3.043 20 0 GGADMN COc1ncc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1Cl ZINC000271660749 1434842747 /nfs/dbraw/zinc/84/27/47/1434842747.db2.gz KDPGGAZRQQUPIP-CYBMUJFWSA-N 0 1 395.912 3.134 20 0 GGADMN COc1cc(NC(=O)CN2CCC(c3cc(C)n[nH]3)CC2)c(OC)cc1Cl ZINC000271667652 1434842869 /nfs/dbraw/zinc/84/28/69/1434842869.db2.gz ZYIAPSSBOQYTNQ-UHFFFAOYSA-N 0 1 392.887 3.207 20 0 GGADMN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000271674232 1434843429 /nfs/dbraw/zinc/84/34/29/1434843429.db2.gz HEXFWKKBFSKRLG-UXHICEINSA-N 0 1 386.517 3.384 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000271675711 1434843444 /nfs/dbraw/zinc/84/34/44/1434843444.db2.gz QYRIZXBKZQBANF-DOMZBBRYSA-N 0 1 384.386 3.186 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N(C)Cc1nccn1C)c1ccccc1Cl ZINC000271674074 1434843446 /nfs/dbraw/zinc/84/34/46/1434843446.db2.gz HBSXNMJZOILGSM-QGZVFWFLSA-N 0 1 377.920 3.298 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000271674241 1434843462 /nfs/dbraw/zinc/84/34/62/1434843462.db2.gz HEXFWKKBFSKRLG-WOJBJXKFSA-N 0 1 386.517 3.384 20 0 GGADMN COC1(C)CCN(C(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)CC1 ZINC000271681074 1434843793 /nfs/dbraw/zinc/84/37/93/1434843793.db2.gz OLXZCXVVNFYYCH-MRXNPFEDSA-N 0 1 387.524 3.013 20 0 GGADMN CC[C@@H](NCC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000271682892 1434843960 /nfs/dbraw/zinc/84/39/60/1434843960.db2.gz OWKAZXVLKUTDDQ-GOSISDBHSA-N 0 1 383.448 3.096 20 0 GGADMN C[C@@H]1C[C@H](CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000271685719 1434844172 /nfs/dbraw/zinc/84/41/72/1434844172.db2.gz RCZOQZOGWDUDDB-NVXWUHKLSA-N 0 1 379.932 3.419 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc(Cn2ccnc2)c1 ZINC000271693260 1434844713 /nfs/dbraw/zinc/84/47/13/1434844713.db2.gz FTHRIYFTDDQDRI-UHFFFAOYSA-N 0 1 390.487 3.140 20 0 GGADMN O=C(CN[C@@H](CCO)c1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000271702826 1434845021 /nfs/dbraw/zinc/84/50/21/1434845021.db2.gz SXPBQOSRIZWJNP-INIZCTEOSA-N 0 1 390.867 3.153 20 0 GGADMN CC(C)(C)c1cnc(CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)o1 ZINC000271710044 1434845565 /nfs/dbraw/zinc/84/55/65/1434845565.db2.gz XQVRYDPAMXLTME-UHFFFAOYSA-N 0 1 391.378 3.041 20 0 GGADMN Cn1ncc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1-c1ccccc1 ZINC000271727619 1434846442 /nfs/dbraw/zinc/84/64/42/1434846442.db2.gz MKFIAFXZMAJNFN-MRXNPFEDSA-N 0 1 376.464 3.102 20 0 GGADMN Cc1ocnc1CNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000271726561 1434846541 /nfs/dbraw/zinc/84/65/41/1434846541.db2.gz YNBYDUFFHMWDQW-HNNXBMFYSA-N 0 1 382.386 3.076 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3ccc(C(C)=O)cc3)ccc2NC1=O ZINC000271727990 1434846545 /nfs/dbraw/zinc/84/65/45/1434846545.db2.gz MXWVTUXIIYTEEJ-DJJJIMSYSA-N 0 1 395.459 3.288 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)NCC(=O)Nc3cccc(OC)c3)ccc2NC1=O ZINC000271733573 1434846886 /nfs/dbraw/zinc/84/68/86/1434846886.db2.gz NVDWPFPCCXKLBG-SCLBCKFNSA-N 0 1 383.448 3.094 20 0 GGADMN CC[C@@H](NCc1cnc(OC)c(Cl)c1)c1ccccc1OCC(=O)N(C)C ZINC000271735892 1434847041 /nfs/dbraw/zinc/84/70/41/1434847041.db2.gz HQTICDIOLQSQHB-QGZVFWFLSA-N 0 1 391.899 3.452 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC ZINC000271737080 1434847077 /nfs/dbraw/zinc/84/70/77/1434847077.db2.gz HWSHEKWZLABEKA-LLVKDONJSA-N 0 1 379.844 3.050 20 0 GGADMN COc1cc([C@H](C)NC[C@H]2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC ZINC000271740178 1434847233 /nfs/dbraw/zinc/84/72/33/1434847233.db2.gz IJQHTGAIRNWTIT-YOEHRIQHSA-N 0 1 386.448 3.388 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000271745200 1434847569 /nfs/dbraw/zinc/84/75/69/1434847569.db2.gz JKZXNMSAFNQAEB-CYBMUJFWSA-N 0 1 392.883 3.333 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](CC)c2ccccc2OCC)CC1 ZINC000271761472 1434848592 /nfs/dbraw/zinc/84/85/92/1434848592.db2.gz MLVJYSJGCUGJEW-LPHOPBHVSA-N 0 1 390.524 3.316 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2([C@@H](C)CCO)CCC2)CC1 ZINC000271764555 1434848788 /nfs/dbraw/zinc/84/87/88/1434848788.db2.gz BRZGKKCZCHMEIL-ZWKOTPCHSA-N 0 1 388.556 3.095 20 0 GGADMN CCCCCc1nnc(NC(=O)CN[C@H](CCCO)c2ccccc2)s1 ZINC000271763322 1434848805 /nfs/dbraw/zinc/84/88/05/1434848805.db2.gz ICAQMFAOODVVHB-MRXNPFEDSA-N 0 1 376.526 3.313 20 0 GGADMN CCOc1ccccc1NC(=O)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271770954 1434849252 /nfs/dbraw/zinc/84/92/52/1434849252.db2.gz NVMDAGXMPWWASE-CQSZACIVSA-N 0 1 388.464 3.400 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000271775424 1434849706 /nfs/dbraw/zinc/84/97/06/1434849706.db2.gz GTGBSLNADADADH-INIZCTEOSA-N 0 1 397.475 3.009 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271777438 1434849852 /nfs/dbraw/zinc/84/98/52/1434849852.db2.gz HBEXNOAPEDWTOH-MRXNPFEDSA-N 0 1 397.475 3.009 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000271781250 1434850080 /nfs/dbraw/zinc/85/00/80/1434850080.db2.gz GTOAITCDCVNBEG-USBFQFRLSA-N 0 1 376.497 3.261 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000271784278 1434850259 /nfs/dbraw/zinc/85/02/59/1434850259.db2.gz GNWNGBGFPIMGFF-HNNXBMFYSA-N 0 1 397.544 3.237 20 0 GGADMN COC(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)o1 ZINC000271789383 1434850864 /nfs/dbraw/zinc/85/08/64/1434850864.db2.gz QJNJARFVIDJSEB-KBPBESRZSA-N 0 1 386.448 3.135 20 0 GGADMN Cc1nn(C)c2c1N(C(=O)c1cccc(CN(C)Cc3ccccc3)c1)CCO2 ZINC000271788331 1434850869 /nfs/dbraw/zinc/85/08/69/1434850869.db2.gz GFQPVHPMMCJZER-UHFFFAOYSA-N 0 1 390.487 3.400 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271793374 1434851050 /nfs/dbraw/zinc/85/10/50/1434851050.db2.gz JPXNYXAHAFUGNC-FBUUVDBFSA-N 0 1 376.497 3.433 20 0 GGADMN C[C@@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000271794824 1434851139 /nfs/dbraw/zinc/85/11/39/1434851139.db2.gz IWEZSUHFPGYZCR-OPAMFIHVSA-N 0 1 391.515 3.392 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000271795652 1434851196 /nfs/dbraw/zinc/85/11/96/1434851196.db2.gz LAYITDQGPQGKPE-UONOGXRCSA-N 0 1 397.431 3.050 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc(N2CCOC2=O)c1 ZINC000271795647 1434851260 /nfs/dbraw/zinc/85/12/60/1434851260.db2.gz LAYITDQGPQGKPE-KGLIPLIRSA-N 0 1 397.431 3.050 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000271801505 1434851531 /nfs/dbraw/zinc/85/15/31/1434851531.db2.gz MOIQNEBMWDHYCY-HNNXBMFYSA-N 0 1 397.475 3.120 20 0 GGADMN Cc1cc([C@@H](C)NCC(=O)Nc2ccccc2SCC(N)=O)ccc1F ZINC000271802814 1434851682 /nfs/dbraw/zinc/85/16/82/1434851682.db2.gz PONWRWTXOBUSMU-CYBMUJFWSA-N 0 1 375.469 3.001 20 0 GGADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271803984 1434851718 /nfs/dbraw/zinc/85/17/18/1434851718.db2.gz KQINBHGVHPFNTI-OAHLLOKOSA-N 0 1 383.467 3.044 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271804062 1434851739 /nfs/dbraw/zinc/85/17/39/1434851739.db2.gz KSHPNUXPFJZQQZ-KGLIPLIRSA-N 0 1 385.895 3.387 20 0 GGADMN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H](C)CN2CCOCC2)C3)cs1 ZINC000271806827 1434851935 /nfs/dbraw/zinc/85/19/35/1434851935.db2.gz OGVRDYJVLAJRTH-CYBMUJFWSA-N 0 1 391.562 3.033 20 0 GGADMN C[C@H](NCC(=O)N[C@@H](C)c1ccccc1Cl)c1ccc2c(c1)CC(=O)N2C ZINC000271807130 1434851948 /nfs/dbraw/zinc/85/19/48/1434851948.db2.gz LNYVHLLCOSQUSN-KBPBESRZSA-N 0 1 385.895 3.387 20 0 GGADMN COCCCOc1cccc(CN[C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000271805071 1434851955 /nfs/dbraw/zinc/85/19/55/1434851955.db2.gz MDOURFJTHPRNGO-QGZVFWFLSA-N 0 1 377.506 3.054 20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271807403 1434851959 /nfs/dbraw/zinc/85/19/59/1434851959.db2.gz NTCNWAXVWJCPBU-CVEARBPZSA-N 0 1 397.475 3.007 20 0 GGADMN CCc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000271808495 1434852059 /nfs/dbraw/zinc/85/20/59/1434852059.db2.gz LPSASGQSBABEAU-MRXNPFEDSA-N 0 1 379.504 3.077 20 0 GGADMN Cc1ccc2nc(NC(=O)CN[C@@H](C)c3ccc4c(c3)CC(=O)N4C)sc2c1 ZINC000271820371 1434852582 /nfs/dbraw/zinc/85/25/82/1434852582.db2.gz NTMKBKRMWYSVEV-ZDUSSCGKSA-N 0 1 394.500 3.413 20 0 GGADMN Cc1ccc2nc(NC(=O)CN[C@H](C)c3ccc4c(c3)CC(=O)N4C)sc2c1 ZINC000271820367 1434852640 /nfs/dbraw/zinc/85/26/40/1434852640.db2.gz NTMKBKRMWYSVEV-CYBMUJFWSA-N 0 1 394.500 3.413 20 0 GGADMN CC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000271824270 1434852842 /nfs/dbraw/zinc/85/28/42/1434852842.db2.gz QPVMWBXPKVIBBV-CQSZACIVSA-N 0 1 381.432 3.135 20 0 GGADMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271829670 1434853177 /nfs/dbraw/zinc/85/31/77/1434853177.db2.gz JCMKIRRQNWSZBY-OAHLLOKOSA-N 0 1 398.532 3.046 20 0 GGADMN C[C@@H](OCCCNC(=O)CN[C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271828234 1434853234 /nfs/dbraw/zinc/85/32/34/1434853234.db2.gz TWSGBAODNICYNF-DENIHFKCSA-N 0 1 384.520 3.374 20 0 GGADMN CC1(C)[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)[C@H]2CCCO[C@H]21 ZINC000271828779 1434853242 /nfs/dbraw/zinc/85/32/42/1434853242.db2.gz DOQIQNUSFVNBLD-BHIYHBOVSA-N 0 1 385.533 3.366 20 0 GGADMN CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000271827783 1434853287 /nfs/dbraw/zinc/85/32/87/1434853287.db2.gz RFOWAQMJLGNDCL-AWEZNQCLSA-N 0 1 381.432 3.135 20 0 GGADMN COc1ccc(COC[C@@H](O)CN[C@@H](C)c2c(F)cccc2F)cc1OC ZINC000271832815 1434853379 /nfs/dbraw/zinc/85/33/79/1434853379.db2.gz XIOTVLHOYTYXFN-ZFWWWQNUSA-N 0 1 381.419 3.210 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000271834396 1434853688 /nfs/dbraw/zinc/85/36/88/1434853688.db2.gz XJOHCSRZOVQRJX-CQSZACIVSA-N 0 1 385.464 3.260 20 0 GGADMN COc1cc(NC(=O)CN[C@H](C)c2ccc(F)c(C)c2)cc(OC)c1OC ZINC000271842914 1434854353 /nfs/dbraw/zinc/85/43/53/1434854353.db2.gz ZONBQOPOSKQYBB-CYBMUJFWSA-N 0 1 376.428 3.449 20 0 GGADMN COc1coc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1=O ZINC000271846166 1434854487 /nfs/dbraw/zinc/85/44/87/1434854487.db2.gz ZCJQUPIMDBSMNB-HNNXBMFYSA-N 0 1 396.443 3.482 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)N(Cc1ccco1)CC(F)(F)F ZINC000271850950 1434854681 /nfs/dbraw/zinc/85/46/81/1434854681.db2.gz XMZSFXNELFPULN-KRWDZBQOSA-N 0 1 384.398 3.274 20 0 GGADMN C[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271870615 1434855944 /nfs/dbraw/zinc/85/59/44/1434855944.db2.gz WCYWHXMKNBIWED-WNSKOXEYSA-N 0 1 377.488 3.124 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271875464 1434856393 /nfs/dbraw/zinc/85/63/93/1434856393.db2.gz XOHJIWMAZSNBHO-UONOGXRCSA-N 0 1 379.460 3.086 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271875452 1434856409 /nfs/dbraw/zinc/85/64/09/1434856409.db2.gz XOHJIWMAZSNBHO-KGLIPLIRSA-N 0 1 379.460 3.086 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000271877714 1434856496 /nfs/dbraw/zinc/85/64/96/1434856496.db2.gz RZIOTBCDQQJYMD-UHFFFAOYSA-N 0 1 388.296 3.160 20 0 GGADMN C[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000271881386 1434856903 /nfs/dbraw/zinc/85/69/03/1434856903.db2.gz SVEJOIWFJIDNFA-LBPRGKRZSA-N 0 1 392.912 3.449 20 0 GGADMN C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1nc2ccc(Cl)cc2n1C ZINC000271881383 1434856928 /nfs/dbraw/zinc/85/69/28/1434856928.db2.gz SVEJOIWFJIDNFA-GFCCVEGCSA-N 0 1 392.912 3.449 20 0 GGADMN CSc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000271913551 1434859026 /nfs/dbraw/zinc/85/90/26/1434859026.db2.gz QVKANOKBJKWRSL-AWEZNQCLSA-N 0 1 399.520 3.057 20 0 GGADMN O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000271965255 1434862169 /nfs/dbraw/zinc/86/21/69/1434862169.db2.gz GPMOFWDPFZCJSJ-UHFFFAOYSA-N 0 1 386.414 3.128 20 0 GGADMN CSc1ccc(C)c(NC(=O)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000271990314 1434864081 /nfs/dbraw/zinc/86/40/81/1434864081.db2.gz GCMQMQQUJOVIJD-UHFFFAOYSA-N 0 1 385.537 3.185 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000272005322 1434865311 /nfs/dbraw/zinc/86/53/11/1434865311.db2.gz JAAWJGXVWATAOZ-JOCHJYFZSA-N 0 1 395.459 3.096 20 0 GGADMN CC(C)C[C@@H]1C[C@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCO1 ZINC000272007871 1434865466 /nfs/dbraw/zinc/86/54/66/1434865466.db2.gz VLARPZDIVXEZPW-DUXKGJEZSA-N 0 1 388.556 3.500 20 0 GGADMN C[C@]1(CCCO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000272010986 1434865639 /nfs/dbraw/zinc/86/56/39/1434865639.db2.gz KGBFOCAXECTVGW-DYESRHJHSA-N 0 1 385.464 3.177 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000272018432 1434866280 /nfs/dbraw/zinc/86/62/80/1434866280.db2.gz KXJJQNKWGHTIQZ-JOCHJYFZSA-N 0 1 398.459 3.154 20 0 GGADMN C[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCO1 ZINC000272021813 1434866730 /nfs/dbraw/zinc/86/67/30/1434866730.db2.gz VTOSFMWIBJOEGN-ICSRJNTNSA-N 0 1 394.519 3.157 20 0 GGADMN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@@H](c1ccco1)N1CCCC1 ZINC000272037182 1434867809 /nfs/dbraw/zinc/86/78/09/1434867809.db2.gz FOYMZHGKNQTIQI-OALUTQOASA-N 0 1 392.459 3.061 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCCCO3)c2C1 ZINC000272045331 1434868464 /nfs/dbraw/zinc/86/84/64/1434868464.db2.gz QWFMAAPHXIQBGM-GQIGUUNPSA-N 0 1 387.524 3.059 20 0 GGADMN CN(CCc1cnccn1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000272044181 1434868512 /nfs/dbraw/zinc/86/85/12/1434868512.db2.gz RVIIZINUIMKVQE-GOSISDBHSA-N 0 1 392.425 3.161 20 0 GGADMN C[C@H]1C[C@@H](Nc2ccccc2N2CCN(CCc3ccncc3)CC2)CCO1 ZINC000272054662 1434869168 /nfs/dbraw/zinc/86/91/68/1434869168.db2.gz SJVDCXASBRNQDL-FPOVZHCZSA-N 0 1 380.536 3.426 20 0 GGADMN C[C@H]1C[C@H](Nc2ccccc2N2CCN(CCc3ccncc3)CC2)CCO1 ZINC000272054664 1434869234 /nfs/dbraw/zinc/86/92/34/1434869234.db2.gz SJVDCXASBRNQDL-PZJWPPBQSA-N 0 1 380.536 3.426 20 0 GGADMN CN(C)c1ccnc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272063180 1434869591 /nfs/dbraw/zinc/86/95/91/1434869591.db2.gz AVSYVFGHRJDAHC-MRXNPFEDSA-N 0 1 382.512 3.333 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4c[nH]c5ncccc45)C3)[nH]c2c1 ZINC000272062201 1434869679 /nfs/dbraw/zinc/86/96/79/1434869679.db2.gz CPESKNOUXWTYLM-CQSZACIVSA-N 0 1 395.488 3.316 20 0 GGADMN Cn1ncc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1C1CC1 ZINC000272066246 1434869809 /nfs/dbraw/zinc/86/98/09/1434869809.db2.gz BMARFNRBQCGIFU-MRXNPFEDSA-N 0 1 382.512 3.483 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)o1 ZINC000272070760 1434870258 /nfs/dbraw/zinc/87/02/58/1434870258.db2.gz CAXYCAVYDBSEDS-AWEZNQCLSA-N 0 1 386.452 3.252 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)c1 ZINC000272071175 1434870262 /nfs/dbraw/zinc/87/02/62/1434870262.db2.gz HVMQRQLJPPFNEC-QFIPXVFZSA-N 0 1 380.444 3.476 20 0 GGADMN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000272080739 1434870729 /nfs/dbraw/zinc/87/07/29/1434870729.db2.gz KQHODDSAFCRBLQ-MEBBXXQBSA-N 0 1 379.329 3.122 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)[nH]n1 ZINC000272080655 1434870837 /nfs/dbraw/zinc/87/08/37/1434870837.db2.gz BKUFTSXOHXOREY-MRXNPFEDSA-N 0 1 393.369 3.275 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)c1 ZINC000272107987 1434872585 /nfs/dbraw/zinc/87/25/85/1434872585.db2.gz NYRZCZOQJBYAQS-OAHLLOKOSA-N 0 1 382.445 3.207 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000272120035 1434873462 /nfs/dbraw/zinc/87/34/62/1434873462.db2.gz QCXWQCWEPCBFNF-HZMBPMFUSA-N 0 1 397.319 3.419 20 0 GGADMN C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)(F)F)c1 ZINC000272120041 1434873511 /nfs/dbraw/zinc/87/35/11/1434873511.db2.gz QCXWQCWEPCBFNF-QMTHXVAHSA-N 0 1 397.319 3.419 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)n[nH]1 ZINC000272121308 1434873525 /nfs/dbraw/zinc/87/35/25/1434873525.db2.gz QGUXGSSKVCBSME-SFHVURJKSA-N 0 1 398.482 3.116 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@H]1CC2(CCC2)Oc2ccccc21)C(F)(F)F ZINC000272130054 1434873876 /nfs/dbraw/zinc/87/38/76/1434873876.db2.gz RNQXQKJHRYBQCJ-KBXCAEBGSA-N 0 1 381.398 3.206 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@@H]1CC2(CCC2)Oc2ccccc21)C(F)(F)F ZINC000272130055 1434873905 /nfs/dbraw/zinc/87/39/05/1434873905.db2.gz RNQXQKJHRYBQCJ-KDOFPFPSSA-N 0 1 381.398 3.206 20 0 GGADMN C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC000272148154 1434874822 /nfs/dbraw/zinc/87/48/22/1434874822.db2.gz UJGQZAHXHHUBDW-BONVTDFDSA-N 0 1 379.329 3.122 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@@H](c3ccccc3)N3CCSCC3)CC2)n[nH]1 ZINC000272168259 1434875850 /nfs/dbraw/zinc/87/58/50/1434875850.db2.gz YFAJYSXRUNLOQR-HXUWFJFHSA-N 0 1 384.549 3.214 20 0 GGADMN Cc1nnc(N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC000272182340 1434876498 /nfs/dbraw/zinc/87/64/98/1434876498.db2.gz JGBJMNFNCXCZHK-STQMWFEESA-N 0 1 388.390 3.027 20 0 GGADMN Cc1cc(C)c2c(c1)[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)CCCO2 ZINC000272183391 1434876518 /nfs/dbraw/zinc/87/65/18/1434876518.db2.gz YLWVXOSNJDZWDB-MAUKXSAKSA-N 0 1 383.414 3.290 20 0 GGADMN Cc1cc(C)c2c(c1)[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)CCCO2 ZINC000272183400 1434876577 /nfs/dbraw/zinc/87/65/77/1434876577.db2.gz YLWVXOSNJDZWDB-YJBOKZPZSA-N 0 1 383.414 3.290 20 0 GGADMN CNC(=O)c1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272191638 1434877094 /nfs/dbraw/zinc/87/70/94/1434877094.db2.gz FSPVPLUYKOPGMS-SFHVURJKSA-N 0 1 395.507 3.232 20 0 GGADMN O=C(CSc1nncs1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272191754 1434877112 /nfs/dbraw/zinc/87/71/12/1434877112.db2.gz FVSYAZYMDOTSRG-ZDUSSCGKSA-N 0 1 392.554 3.202 20 0 GGADMN Cc1c(CCC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cnn1C ZINC000272191782 1434877124 /nfs/dbraw/zinc/87/71/24/1434877124.db2.gz FWOIPKARLRIYBM-GOSISDBHSA-N 0 1 384.528 3.233 20 0 GGADMN CCn1nccc1C=CC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272196732 1434877459 /nfs/dbraw/zinc/87/74/59/1434877459.db2.gz GSCYMXKEUDXORG-SXSDINLZSA-N 0 1 382.512 3.488 20 0 GGADMN CCn1cnc2c1ncnc2N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272207242 1434878021 /nfs/dbraw/zinc/87/80/21/1434878021.db2.gz IHQNMFRZAAAYSA-OAHLLOKOSA-N 0 1 380.500 3.396 20 0 GGADMN CCn1cnc2c1ncnc2N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272207242 1434878023 /nfs/dbraw/zinc/87/80/23/1434878023.db2.gz IHQNMFRZAAAYSA-OAHLLOKOSA-N 0 1 380.500 3.396 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000272206473 1434878075 /nfs/dbraw/zinc/87/80/75/1434878075.db2.gz DSRWTTJMDHNNJU-GDBMZVCRSA-N 0 1 384.480 3.452 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000272217325 1434878735 /nfs/dbraw/zinc/87/87/35/1434878735.db2.gz BHSTYEZPMOFGJD-ZBFHGGJFSA-N 0 1 384.480 3.452 20 0 GGADMN COC(=O)[C@@H](c1cccnc1)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272224195 1434879322 /nfs/dbraw/zinc/87/93/22/1434879322.db2.gz LDKQGTSQEBTYTG-QZTJIDSGSA-N 0 1 383.496 3.341 20 0 GGADMN COC(=O)[C@@H](c1cccnc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272224195 1434879324 /nfs/dbraw/zinc/87/93/24/1434879324.db2.gz LDKQGTSQEBTYTG-QZTJIDSGSA-N 0 1 383.496 3.341 20 0 GGADMN CN(C)c1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccn1 ZINC000272225730 1434879514 /nfs/dbraw/zinc/87/95/14/1434879514.db2.gz LHAJARFFRADLJS-QGZVFWFLSA-N 0 1 382.512 3.333 20 0 GGADMN CCc1ccc([C@@H](NCCn2ccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272230399 1434879885 /nfs/dbraw/zinc/87/98/85/1434879885.db2.gz DPDSJISJCYFRGO-OAQYLSRUSA-N 0 1 383.517 3.228 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)c1 ZINC000272229394 1434879916 /nfs/dbraw/zinc/87/99/16/1434879916.db2.gz LPFRZPPLXPQRNV-UHFFFAOYSA-N 0 1 382.416 3.277 20 0 GGADMN CC(=O)c1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)n(C)c1 ZINC000272270571 1434883042 /nfs/dbraw/zinc/88/30/42/1434883042.db2.gz RXBTXMWWFFYIJZ-INIZCTEOSA-N 0 1 383.496 3.413 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272278619 1434883882 /nfs/dbraw/zinc/88/38/82/1434883882.db2.gz TURYKECQJVIRKZ-INIZCTEOSA-N 0 1 385.516 3.010 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272278619 1434883885 /nfs/dbraw/zinc/88/38/85/1434883885.db2.gz TURYKECQJVIRKZ-INIZCTEOSA-N 0 1 385.516 3.010 20 0 GGADMN COc1cc(C=CC(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc(OC)c1OC ZINC000272311404 1434886389 /nfs/dbraw/zinc/88/63/89/1434886389.db2.gz YNTGNNCAMRHOSN-AATRIKPKSA-N 0 1 385.464 3.163 20 0 GGADMN CC(C)(C)[C@@H](NC1CCN(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000272310465 1434886420 /nfs/dbraw/zinc/88/64/20/1434886420.db2.gz TUPAAXSRJXCQID-INIZCTEOSA-N 0 1 381.484 3.201 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324477 1434887361 /nfs/dbraw/zinc/88/73/61/1434887361.db2.gz UXXSBKMTYKOEAP-CRAIPNDOSA-N 0 1 396.535 3.429 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324477 1434887362 /nfs/dbraw/zinc/88/73/62/1434887362.db2.gz UXXSBKMTYKOEAP-CRAIPNDOSA-N 0 1 396.535 3.429 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324480 1434887369 /nfs/dbraw/zinc/88/73/69/1434887369.db2.gz UXXSBKMTYKOEAP-QAPCUYQASA-N 0 1 396.535 3.429 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324480 1434887370 /nfs/dbraw/zinc/88/73/70/1434887370.db2.gz UXXSBKMTYKOEAP-QAPCUYQASA-N 0 1 396.535 3.429 20 0 GGADMN O=C1[C@@H]2CCCCN2C(=O)N1[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272356402 1434890022 /nfs/dbraw/zinc/89/00/22/1434890022.db2.gz GEDQCZVSKPFAKR-HOTGVXAUSA-N 0 1 381.398 3.096 20 0 GGADMN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1nnc2n1CCCCC2 ZINC000272386295 1434892746 /nfs/dbraw/zinc/89/27/46/1434892746.db2.gz TXBLHKBLCJWSJU-UHFFFAOYSA-N 0 1 383.418 3.366 20 0 GGADMN Cn1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000272389332 1434892925 /nfs/dbraw/zinc/89/29/25/1434892925.db2.gz UORHOPHAMKSQQM-INIZCTEOSA-N 0 1 391.479 3.494 20 0 GGADMN CC(C)Oc1cc(F)ccc1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000272393451 1434893352 /nfs/dbraw/zinc/89/33/52/1434893352.db2.gz JBXGNIAURUFQMO-UHFFFAOYSA-N 0 1 388.443 3.417 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NC[C@@H]2CCCCO2)c2ccc(F)cc2)c1 ZINC000272419263 1434895174 /nfs/dbraw/zinc/89/51/74/1434895174.db2.gz LPRNDSDNMDQIGK-AZUAARDMSA-N 0 1 377.481 3.477 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000272425488 1434895487 /nfs/dbraw/zinc/89/54/87/1434895487.db2.gz HAQCLNCJDXSYPC-VDZJLULYSA-N 0 1 387.524 3.241 20 0 GGADMN COc1cccc(COc2cccc(NC(=O)NCCc3nc(C)n[nH]3)c2C)c1 ZINC000272424194 1434895491 /nfs/dbraw/zinc/89/54/91/1434895491.db2.gz MICXUHTVIVMSTM-UHFFFAOYSA-N 0 1 395.463 3.373 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000272446551 1434897093 /nfs/dbraw/zinc/89/70/93/1434897093.db2.gz JFWGXOXLFZSWPS-NVXWUHKLSA-N 0 1 393.503 3.019 20 0 GGADMN CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000272485682 1434899729 /nfs/dbraw/zinc/89/97/29/1434899729.db2.gz SGALROAPGKCNCM-CQSZACIVSA-N 0 1 396.451 3.341 20 0 GGADMN COc1cccc(C2=CCN(C(=O)[C@H](c3ccccc3)N3CCC(O)CC3)C2)c1 ZINC000272491806 1434900132 /nfs/dbraw/zinc/90/01/32/1434900132.db2.gz CLYGXRZPMYPAFZ-QHCPKHFHSA-N 0 1 392.499 3.119 20 0 GGADMN COc1ccc(NC(=O)N[C@H](C)c2nnc[nH]2)cc1NC(=O)C1CCCCC1 ZINC000272503070 1434901511 /nfs/dbraw/zinc/90/15/11/1434901511.db2.gz VVELBLCQXLHVPH-GFCCVEGCSA-N 0 1 386.456 3.215 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC000272508523 1434902061 /nfs/dbraw/zinc/90/20/61/1434902061.db2.gz OOQZYRRXEMMLRY-KKUMJFAQSA-N 0 1 381.542 3.160 20 0 GGADMN COc1ccccc1COc1cccc(NC(=O)NCCc2nc(C)n[nH]2)c1C ZINC000272511113 1434902434 /nfs/dbraw/zinc/90/24/34/1434902434.db2.gz WYOBYEXSPDHQCB-UHFFFAOYSA-N 0 1 395.463 3.373 20 0 GGADMN COCC[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000272517826 1434903046 /nfs/dbraw/zinc/90/30/46/1434903046.db2.gz JLZMUVLVTUHIEU-QFBILLFUSA-N 0 1 386.496 3.277 20 0 GGADMN CCC[C@](C)(O)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272519211 1434903354 /nfs/dbraw/zinc/90/33/54/1434903354.db2.gz YDRINTZKMMDOFA-PMACEKPBSA-N 0 1 379.497 3.459 20 0 GGADMN CCC[C@@](C)(O)CN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272520571 1434903633 /nfs/dbraw/zinc/90/36/33/1434903633.db2.gz YDRINTZKMMDOFA-WOJBJXKFSA-N 0 1 379.497 3.459 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524613 1434904076 /nfs/dbraw/zinc/90/40/76/1434904076.db2.gz QHUDORAGLKSEHX-ZIAGYGMSSA-N 0 1 388.464 3.234 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000272524613 1434904080 /nfs/dbraw/zinc/90/40/80/1434904080.db2.gz QHUDORAGLKSEHX-ZIAGYGMSSA-N 0 1 388.464 3.234 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCOCC2CC2)c2ccc(F)cc2)c1 ZINC000272531062 1434904756 /nfs/dbraw/zinc/90/47/56/1434904756.db2.gz ZOXBRVVJJSVQHD-FQEVSTJZSA-N 0 1 377.481 3.335 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000272537295 1434905233 /nfs/dbraw/zinc/90/52/33/1434905233.db2.gz RLSWFTGCOXXBBJ-KGLIPLIRSA-N 0 1 380.460 3.427 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1F)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272559365 1434907574 /nfs/dbraw/zinc/90/75/74/1434907574.db2.gz UBUICSKZWHICHA-ZMSDIMECSA-N 0 1 393.503 3.066 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000272559362 1434907606 /nfs/dbraw/zinc/90/76/06/1434907606.db2.gz UBUICSKZWHICHA-YQQAZPJKSA-N 0 1 393.503 3.066 20 0 GGADMN COc1ccccc1C1(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000272558629 1434907639 /nfs/dbraw/zinc/90/76/39/1434907639.db2.gz GHIYUXJRLRWJLZ-MRXNPFEDSA-N 0 1 395.507 3.312 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3ccncc3)CC2)cnn1C1CCCCC1 ZINC000272586463 1434911406 /nfs/dbraw/zinc/91/14/06/1434911406.db2.gz BRSDIKLARGWZBX-UHFFFAOYSA-N 0 1 381.524 3.486 20 0 GGADMN COc1ccc(CN2CCCN(c3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000272611050 1434914688 /nfs/dbraw/zinc/91/46/88/1434914688.db2.gz ZIGLEJMNJXYILG-UHFFFAOYSA-N 0 1 381.505 3.321 20 0 GGADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272620269 1434916055 /nfs/dbraw/zinc/91/60/55/1434916055.db2.gz LRWJPAOWNCRVJF-PBHICJAKSA-N 0 1 389.496 3.336 20 0 GGADMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc3c(s2)CCOC3)cc1 ZINC000272624917 1434916638 /nfs/dbraw/zinc/91/66/38/1434916638.db2.gz JLENSLAYKWNJJB-GOSISDBHSA-N 0 1 386.517 3.396 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@@H]2C1 ZINC000272631594 1434917722 /nfs/dbraw/zinc/91/77/22/1434917722.db2.gz NIAOVKCHQLFDBH-IUODEOHRSA-N 0 1 392.912 3.035 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000272643775 1434918942 /nfs/dbraw/zinc/91/89/42/1434918942.db2.gz YKYBIQODOAOWRU-LRDDRELGSA-N 0 1 378.394 3.450 20 0 GGADMN Cc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)cnn1C1CCCCC1 ZINC000272648577 1434919622 /nfs/dbraw/zinc/91/96/22/1434919622.db2.gz PDYNZLUCASXGCK-UHFFFAOYSA-N 0 1 381.524 3.486 20 0 GGADMN O=C(NCCc1cccc(F)c1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272657529 1434920295 /nfs/dbraw/zinc/92/02/95/1434920295.db2.gz MDRJYWKGVFXSTH-AWEZNQCLSA-N 0 1 375.423 3.092 20 0 GGADMN CCCCCN(CCCOC)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000272678755 1434922038 /nfs/dbraw/zinc/92/20/38/1434922038.db2.gz RULPHVJCXCHSRE-UHFFFAOYSA-N 0 1 376.545 3.284 20 0 GGADMN C[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000272687950 1434922606 /nfs/dbraw/zinc/92/26/06/1434922606.db2.gz BUTDWQFYSSIYRQ-MRXNPFEDSA-N 0 1 391.943 3.338 20 0 GGADMN Cc1ccc([C@H](N[C@H](C)CC[S@@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272698269 1434923799 /nfs/dbraw/zinc/92/37/99/1434923799.db2.gz YFFLMGYJLDNMPO-UHUZZHMISA-N 0 1 393.574 3.235 20 0 GGADMN CC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000272728682 1434926570 /nfs/dbraw/zinc/92/65/70/1434926570.db2.gz IBMKSMSEHUSNHD-CABCVRRESA-N 0 1 389.521 3.307 20 0 GGADMN COC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1F ZINC000272782468 1434930756 /nfs/dbraw/zinc/93/07/56/1434930756.db2.gz ACHDXTZRXJOUPB-HNNXBMFYSA-N 0 1 380.445 3.490 20 0 GGADMN CC(C)[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000272790079 1434931329 /nfs/dbraw/zinc/93/13/29/1434931329.db2.gz XNRANZLFBGMDJP-GOEBONIOSA-N 0 1 377.357 3.435 20 0 GGADMN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272798613 1434931852 /nfs/dbraw/zinc/93/18/52/1434931852.db2.gz UPTIKXDGLSGMQJ-XMSQKQJNSA-N 0 1 391.515 3.314 20 0 GGADMN O=C(NCC[C@H]1CCCCO1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000272827780 1434934277 /nfs/dbraw/zinc/93/42/77/1434934277.db2.gz PMNDQFQULIDBKL-GOSISDBHSA-N 0 1 383.496 3.320 20 0 GGADMN CCCOc1ccc(CNC(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000272917412 1434940809 /nfs/dbraw/zinc/94/08/09/1434940809.db2.gz IKHJZSXOJXHSMD-JWIGPWBQSA-N 0 1 388.533 3.180 20 0 GGADMN COC[C@@H](NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccccc1 ZINC000272917177 1434940869 /nfs/dbraw/zinc/94/08/69/1434940869.db2.gz IZIPPJXTWNATFD-GOSISDBHSA-N 0 1 377.481 3.016 20 0 GGADMN CCCOc1ccc(CNC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000272917405 1434940874 /nfs/dbraw/zinc/94/08/74/1434940874.db2.gz IKHJZSXOJXHSMD-CHAGWJKLSA-N 0 1 388.533 3.180 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000272917035 1434940877 /nfs/dbraw/zinc/94/08/77/1434940877.db2.gz IGOXHCKTKPUKDZ-GWQKEKGPSA-N 0 1 382.432 3.315 20 0 GGADMN CC(=O)c1ccc(S(C)(=O)=O)c(NC2CCN(CC3CCCC3)CC2)c1 ZINC000272947685 1434943347 /nfs/dbraw/zinc/94/33/47/1434943347.db2.gz WTEKKLAYWDFWIE-UHFFFAOYSA-N 0 1 378.538 3.359 20 0 GGADMN Cc1cc(C2CCN([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)[nH]n1 ZINC000272957357 1434944162 /nfs/dbraw/zinc/94/41/62/1434944162.db2.gz NGMWTEWEMUMCKS-INIZCTEOSA-N 0 1 395.507 3.052 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273034404 1434952884 /nfs/dbraw/zinc/95/28/84/1434952884.db2.gz GCVANFHWYIEAJJ-OLZOCXBDSA-N 0 1 382.390 3.049 20 0 GGADMN NC(=O)[C@H](Cc1ccc(F)cc1)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000273035328 1434953393 /nfs/dbraw/zinc/95/33/93/1434953393.db2.gz TWLTWICTPYNECT-FQEVSTJZSA-N 0 1 383.467 3.141 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC(CCCO)CC1)N1CCCC1 ZINC000273045838 1434954535 /nfs/dbraw/zinc/95/45/35/1434954535.db2.gz ISAOODNRPWSGPO-HXUWFJFHSA-N 0 1 389.540 3.026 20 0 GGADMN Cc1cc(C2CCN(CC(=O)Nc3cc(C)nn3-c3ccccc3F)CC2)[nH]n1 ZINC000273051098 1434955219 /nfs/dbraw/zinc/95/52/19/1434955219.db2.gz YMFXCHURSDQBRT-UHFFFAOYSA-N 0 1 396.470 3.169 20 0 GGADMN C[C@@]1(NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCO[C@H]1C1CC1 ZINC000273074455 1434957662 /nfs/dbraw/zinc/95/76/62/1434957662.db2.gz PARQJCLWBNOGSO-PKOBYXMFSA-N 0 1 392.546 3.261 20 0 GGADMN C[C@]1(NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCO[C@H]1C1CC1 ZINC000273074444 1434957801 /nfs/dbraw/zinc/95/78/01/1434957801.db2.gz PARQJCLWBNOGSO-HKUYNNGSSA-N 0 1 392.546 3.261 20 0 GGADMN COc1ccc(C(=O)CCC(=O)Nc2c(C)n[nH]c2C(F)F)c(OC)c1OC ZINC000273083066 1434958930 /nfs/dbraw/zinc/95/89/30/1434958930.db2.gz ATWMLLUHPALZOX-UHFFFAOYSA-N 0 1 397.378 3.283 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)C[C@@H](C)c3nccs3)n[nH]2)cc1OC ZINC000273100361 1434960826 /nfs/dbraw/zinc/96/08/26/1434960826.db2.gz KUHMRHMXQIZWRZ-GFCCVEGCSA-N 0 1 386.477 3.426 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2cn[nH]c21)Nc1ccccc1 ZINC000273105863 1434961654 /nfs/dbraw/zinc/96/16/54/1434961654.db2.gz VNTWMPCLSVPMIQ-ZWKOTPCHSA-N 0 1 396.495 3.173 20 0 GGADMN O=C(Nc1ccc(N2CCCC2)cn1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000273120807 1434963867 /nfs/dbraw/zinc/96/38/67/1434963867.db2.gz OTPNNKUGELPNCQ-UHFFFAOYSA-N 0 1 377.404 3.053 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000273157638 1434967461 /nfs/dbraw/zinc/96/74/61/1434967461.db2.gz JJKCGRYDIMPEAI-HUUCEWRRSA-N 0 1 382.460 3.169 20 0 GGADMN Cn1cc(CCCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cn1 ZINC000273169538 1434968588 /nfs/dbraw/zinc/96/85/88/1434968588.db2.gz LPGMCIJCLGBMQT-GOSISDBHSA-N 0 1 399.543 3.108 20 0 GGADMN O=C(NCCc1cccnc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273174328 1434969153 /nfs/dbraw/zinc/96/91/53/1434969153.db2.gz MNCIIFBOGKLGHM-SFHVURJKSA-N 0 1 382.512 3.379 20 0 GGADMN Cc1ccccc1[C@H](CN1CCOCC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000273186006 1434970254 /nfs/dbraw/zinc/97/02/54/1434970254.db2.gz OXDYHZGVLVJWJQ-QHCPKHFHSA-N 0 1 393.531 3.050 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000273206361 1434972404 /nfs/dbraw/zinc/97/24/04/1434972404.db2.gz JGTDTIJWHUITIZ-OAQYLSRUSA-N 0 1 386.496 3.259 20 0 GGADMN CN(Cc1ccccc1NC(=O)[C@@H]1CCCCS1(=O)=O)C1CCCCC1 ZINC000273224382 1434973523 /nfs/dbraw/zinc/97/35/23/1434973523.db2.gz VUOAMGAVTAPNMO-IBGZPJMESA-N 0 1 378.538 3.357 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000273252016 1434975877 /nfs/dbraw/zinc/97/58/77/1434975877.db2.gz HIGXRYDOTGUSLH-CRAIPNDOSA-N 0 1 394.431 3.229 20 0 GGADMN CCc1ccc([C@H](N[C@H](C)C[S@@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273293203 1434978609 /nfs/dbraw/zinc/97/86/09/1434978609.db2.gz SPWKELFLSHKSHQ-LYWOYCCESA-N 0 1 393.574 3.099 20 0 GGADMN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)C1 ZINC000273294858 1434978795 /nfs/dbraw/zinc/97/87/95/1434978795.db2.gz YSQUXQMPQHNXQS-CYBMUJFWSA-N 0 1 397.504 3.169 20 0 GGADMN COc1cccc(-c2noc(SCC(=O)Nc3c(C)n[nH]c3C(F)F)n2)c1 ZINC000273300197 1434979253 /nfs/dbraw/zinc/97/92/53/1434979253.db2.gz FIDLURFYFLVWGY-UHFFFAOYSA-N 0 1 395.391 3.445 20 0 GGADMN O=C(NCc1cccc(CO)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273333013 1434981541 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CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000274236927 1435053692 /nfs/dbraw/zinc/05/36/92/1435053692.db2.gz SISMBCJXSGPHPH-RDJZCZTQSA-N 0 1 381.542 3.114 20 0 GGADMN CN1CCCN(c2ccc(-c3noc(C[C@@H]4CCCO4)n3)cc2Cl)CC1 ZINC000274257690 1435055335 /nfs/dbraw/zinc/05/53/35/1435055335.db2.gz XWVRBAYNIXQSMW-HNNXBMFYSA-N 0 1 376.888 3.253 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCc1c[nH]nc1-c1ccc3c(c1)OCCO3)CCO2 ZINC000274259273 1435055517 /nfs/dbraw/zinc/05/55/17/1435055517.db2.gz MQDXZBSDOSQELH-SFHVURJKSA-N 0 1 393.443 3.470 20 0 GGADMN C[C@@H](c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1)n1cccn1 ZINC000274261079 1435055767 /nfs/dbraw/zinc/05/57/67/1435055767.db2.gz YIJPKFBMYXHGKO-AWEZNQCLSA-N 0 1 386.887 3.338 20 0 GGADMN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000274262217 1435055812 /nfs/dbraw/zinc/05/58/12/1435055812.db2.gz KOZWXSOWJVTHHU-UONOGXRCSA-N 0 1 394.422 3.147 20 0 GGADMN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)s1 ZINC000274267964 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ZUKBUDZFBYZNFO-OAHLLOKOSA-N 0 1 393.365 3.173 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNCc1ccccc1CN(C)Cc1ccco1 ZINC000274497529 1435074915 /nfs/dbraw/zinc/07/49/15/1435074915.db2.gz QVLACZARCXDSME-UHFFFAOYSA-N 0 1 396.491 3.112 20 0 GGADMN CC(C)(C)c1nnc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cn21 ZINC000274507367 1435075357 /nfs/dbraw/zinc/07/53/57/1435075357.db2.gz GHUAITKJHPQJEH-CQSZACIVSA-N 0 1 393.495 3.042 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(C(OC)OC)o2)N2CCCC2)c1 ZINC000274535266 1435077154 /nfs/dbraw/zinc/07/71/54/1435077154.db2.gz UZYXRURKFLRFLR-KRWDZBQOSA-N 0 1 388.464 3.147 20 0 GGADMN COc1cc2c(cc1NC(=O)NC[C@H](c1cccs1)N(C)C)NC(=O)CC2 ZINC000274537568 1435077345 /nfs/dbraw/zinc/07/73/45/1435077345.db2.gz ZMQOAIWGQDZERX-OAHLLOKOSA-N 0 1 388.493 3.066 20 0 GGADMN COc1cc2c(cc1NC(=O)NC[C@@H](c1cccs1)N(C)C)NC(=O)CC2 ZINC000274537565 1435077386 /nfs/dbraw/zinc/07/73/86/1435077386.db2.gz ZMQOAIWGQDZERX-HNNXBMFYSA-N 0 1 388.493 3.066 20 0 GGADMN COCc1ccc([C@H]2CCCN2C[C@H](O)COc2c(OC)cccc2OC)o1 ZINC000274539443 1435077598 /nfs/dbraw/zinc/07/75/98/1435077598.db2.gz ZWYMEBCADDPRSL-DOTOQJQBSA-N 0 1 391.464 3.020 20 0 GGADMN CN1CCO[C@@H]([C@@H](NCc2cccc(-n3cncn3)c2)c2ccc(Cl)cc2)C1 ZINC000274551425 1435078103 /nfs/dbraw/zinc/07/81/03/1435078103.db2.gz DLUBPSSBANMWPF-RTWAWAEBSA-N 0 1 397.910 3.082 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3c[nH]nc3C3CC3)sc2C1 ZINC000274558317 1435078335 /nfs/dbraw/zinc/07/83/35/1435078335.db2.gz JQIXHNNPMDIFRJ-UHFFFAOYSA-N 0 1 389.481 3.289 20 0 GGADMN CSc1cc2c(cc1CNCc1n[nH]c(COc3ccccc3)n1)OCCO2 ZINC000274577147 1435078970 /nfs/dbraw/zinc/07/89/70/1435078970.db2.gz JWHYMCUERPEYIV-UHFFFAOYSA-N 0 1 398.488 3.167 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ncoc1-c1ccc(F)cc1 ZINC000274578062 1435079161 /nfs/dbraw/zinc/07/91/61/1435079161.db2.gz IRFCPMWHNKQBJV-UHFFFAOYSA-N 0 1 380.423 3.270 20 0 GGADMN CCSc1cccc(CN2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)c1 ZINC000274608741 1435080900 /nfs/dbraw/zinc/08/09/00/1435080900.db2.gz TUBRWZMTRIBDHH-KRWDZBQOSA-N 0 1 388.537 3.367 20 0 GGADMN COC(=O)C1=NOC2(C1)CCN(Cc1coc(-c3ccc(Cl)cc3)n1)CC2 ZINC000274608523 1435080924 /nfs/dbraw/zinc/08/09/24/1435080924.db2.gz NNFGFTAZINOOAF-UHFFFAOYSA-N 0 1 389.839 3.279 20 0 GGADMN CCOc1ccc(OC)cc1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000274616569 1435081333 /nfs/dbraw/zinc/08/13/33/1435081333.db2.gz RVACZPLRPDLDBI-UHFFFAOYSA-N 0 1 397.435 3.113 20 0 GGADMN C[C@H](CCN1C(=O)c2ccccc2C1=O)NCc1nc(C(F)(F)F)cs1 ZINC000274625697 1435081688 /nfs/dbraw/zinc/08/16/88/1435081688.db2.gz GTJKSUGZPYSKHX-SNVBAGLBSA-N 0 1 383.395 3.326 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cccc(N2CCCC2)c1 ZINC000274634822 1435082165 /nfs/dbraw/zinc/08/21/65/1435082165.db2.gz XTJNSSZGCOINIS-UHFFFAOYSA-N 0 1 392.463 3.306 20 0 GGADMN CCOc1cc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)ccc1OC ZINC000274633039 1435082257 /nfs/dbraw/zinc/08/22/57/1435082257.db2.gz XFWXIOVLYHOAMA-UHFFFAOYSA-N 0 1 397.435 3.113 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274677645 1435084829 /nfs/dbraw/zinc/08/48/29/1435084829.db2.gz LOPDXJUNJQVDQV-UHFFFAOYSA-N 0 1 394.454 3.163 20 0 GGADMN O=S1(=O)CCCN1c1ccc(CN[C@@H]2CCc3c2c(F)ccc3F)cc1F ZINC000274721047 1435087707 /nfs/dbraw/zinc/08/77/07/1435087707.db2.gz BGKXXARFVOMKKZ-QGZVFWFLSA-N 0 1 396.434 3.421 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@]2(C)CCCO)N2CCCC2)cc1 ZINC000274782945 1435092018 /nfs/dbraw/zinc/09/20/18/1435092018.db2.gz OIHFHRDMIUXILC-IRLDBZIGSA-N 0 1 389.540 3.169 20 0 GGADMN C[C@@H](CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl)c1nn[nH]n1 ZINC000274796129 1435093178 /nfs/dbraw/zinc/09/31/78/1435093178.db2.gz RINQEBIMVQRQPB-JTQLQIEISA-N 0 1 394.863 3.076 20 0 GGADMN c1cc(-c2nnc3ccc(NC4CCN(Cc5ccncc5)CC4)nn32)cs1 ZINC000274797873 1435093394 /nfs/dbraw/zinc/09/33/94/1435093394.db2.gz JEHVJOKTXFKIKH-UHFFFAOYSA-N 0 1 391.504 3.324 20 0 GGADMN CCCCCCOc1ccc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc1OC ZINC000274799448 1435093687 /nfs/dbraw/zinc/09/36/87/1435093687.db2.gz SDJPGXORRSSHTD-AWEZNQCLSA-N 0 1 375.473 3.043 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(c2nnc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000274816705 1435094966 /nfs/dbraw/zinc/09/49/66/1435094966.db2.gz AMSBGJFMQSCQKP-CVEARBPZSA-N 0 1 399.514 3.199 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274816712 1435094982 /nfs/dbraw/zinc/09/49/82/1435094982.db2.gz AMSBGJFMQSCQKP-JKSUJKDBSA-N 0 1 399.514 3.199 20 0 GGADMN CCn1cc(CNCc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cn1 ZINC000274836603 1435096713 /nfs/dbraw/zinc/09/67/13/1435096713.db2.gz LFFNTPKZAJZCFM-UHFFFAOYSA-N 0 1 399.447 3.160 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)N1CCN(C2CCC2)CC1 ZINC000274844177 1435097432 /nfs/dbraw/zinc/09/74/32/1435097432.db2.gz KXUKPJDBJRCHAO-UHFFFAOYSA-N 0 1 382.508 3.078 20 0 GGADMN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274864155 1435098963 /nfs/dbraw/zinc/09/89/63/1435098963.db2.gz CCISNSHBGOVOOX-KRWDZBQOSA-N 0 1 393.535 3.162 20 0 GGADMN COc1cc(OC)c(CN2CCC(c3nnc4n3CCCC4)CC2)c(OC)c1 ZINC000274887620 1435101056 /nfs/dbraw/zinc/10/10/56/1435101056.db2.gz COONESPLMMSHKV-UHFFFAOYSA-N 0 1 386.496 3.020 20 0 GGADMN CCOc1cc(CN2CCC(O)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000274885708 1435101088 /nfs/dbraw/zinc/10/10/88/1435101088.db2.gz IDGIESONJYJNHP-UHFFFAOYSA-N 0 1 389.448 3.001 20 0 GGADMN C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000274914166 1435103161 /nfs/dbraw/zinc/10/31/61/1435103161.db2.gz VKMIHWBIZUUKAM-KDOFPFPSSA-N 0 1 393.503 3.048 20 0 GGADMN COc1cc(CN[C@H](C)c2ccc(Cl)cn2)ccc1OCC(=O)N(C)C ZINC000274931865 1435104294 /nfs/dbraw/zinc/10/42/94/1435104294.db2.gz RBDAFNVRWDHOFB-CYBMUJFWSA-N 0 1 377.872 3.061 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccc(Cl)cn2)ccc1OCC(=O)N(C)C ZINC000274931869 1435104377 /nfs/dbraw/zinc/10/43/77/1435104377.db2.gz RBDAFNVRWDHOFB-ZDUSSCGKSA-N 0 1 377.872 3.061 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274967812 1435106631 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GGADMN O[C@@H](CN1CCC(c2nnc3n2CCCC3)CC1)c1ccc(F)cc1Cl ZINC000275033579 1435111428 /nfs/dbraw/zinc/11/14/28/1435111428.db2.gz WPJIDOIQBNIRGS-KRWDZBQOSA-N 0 1 378.879 3.320 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275071707 1435114297 /nfs/dbraw/zinc/11/42/97/1435114297.db2.gz AERIKWPLFGDCCS-XJKSGUPXSA-N 0 1 393.409 3.167 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000275077347 1435114768 /nfs/dbraw/zinc/11/47/68/1435114768.db2.gz CZMZQAUHAPXIKE-HZPDHXFCSA-N 0 1 378.835 3.363 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000275091964 1435115522 /nfs/dbraw/zinc/11/55/22/1435115522.db2.gz CKHZOLUMLZKJOS-IFXJQAMLSA-N 0 1 384.480 3.068 20 0 GGADMN Fc1ccccc1COc1ccc(CN2CCC(Cn3cncn3)CC2)cn1 ZINC000275106044 1435116425 /nfs/dbraw/zinc/11/64/25/1435116425.db2.gz LWEBTDCUSGWJFT-UHFFFAOYSA-N 0 1 381.455 3.303 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275128220 1435117892 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CCc1nc([C@H](C)NC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)n[nH]1 ZINC000275199314 1435122246 /nfs/dbraw/zinc/12/22/46/1435122246.db2.gz FSZHOXPXKLMNBP-LBPRGKRZSA-N 0 1 388.472 3.275 20 0 GGADMN COc1ccc(OC)c(CCC(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275259795 1435126575 /nfs/dbraw/zinc/12/65/75/1435126575.db2.gz IAYFWBQDCGKVEW-SFHVURJKSA-N 0 1 397.519 3.494 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(Oc4cncc(Cl)n4)CC3)c[nH]c12 ZINC000275298288 1435129489 /nfs/dbraw/zinc/12/94/89/1435129489.db2.gz ZHEMCIBWISMXPY-UHFFFAOYSA-N 0 1 398.850 3.376 20 0 GGADMN C[C@H](CCN1C(=O)c2ccccc2C1=O)NCc1cc(COC(C)(C)C)on1 ZINC000275308525 1435130208 /nfs/dbraw/zinc/13/02/08/1435130208.db2.gz REAUMRVVPLPMSI-CQSZACIVSA-N 0 1 385.464 3.154 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000275313666 1435130566 /nfs/dbraw/zinc/13/05/66/1435130566.db2.gz OUJNBSYQCZLZQO-YJBOKZPZSA-N 0 1 396.413 3.114 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc(=O)[nH]c4ccccc43)C1)CCCC2 ZINC000275315719 1435130785 /nfs/dbraw/zinc/13/07/85/1435130785.db2.gz OCTCRPXQZZHUMJ-HNNXBMFYSA-N 0 1 376.460 3.411 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1Cl ZINC000275355466 1435133771 /nfs/dbraw/zinc/13/37/71/1435133771.db2.gz VLUOXLFBEQDHAU-YJBOKZPZSA-N 0 1 397.306 3.402 20 0 GGADMN Cc1ccc(-c2ncccc2NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)s1 ZINC000275392874 1435136279 /nfs/dbraw/zinc/13/62/79/1435136279.db2.gz GRYYNKFKKYRGRU-LBPRGKRZSA-N 0 1 398.492 3.176 20 0 GGADMN COC(=O)CCCCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000275396666 1435136519 /nfs/dbraw/zinc/13/65/19/1435136519.db2.gz RETFAXHNMGQCLM-LJQANCHMSA-N 0 1 376.497 3.072 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@](C)(O)[C@@H](C)c3ccccc3)C1)CCCC2 ZINC000275449454 1435139962 /nfs/dbraw/zinc/13/99/62/1435139962.db2.gz DYRGQRZPKLAIIE-QUZZAMIASA-N 0 1 381.520 3.398 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275459790 1435140713 /nfs/dbraw/zinc/14/07/13/1435140713.db2.gz HLLOYCFTQMRTPU-CYBMUJFWSA-N 0 1 377.452 3.232 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)CCc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000275464598 1435141167 /nfs/dbraw/zinc/14/11/67/1435141167.db2.gz XFTUTOGZSGVYMJ-MRXNPFEDSA-N 0 1 377.492 3.353 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000275469102 1435141374 /nfs/dbraw/zinc/14/13/74/1435141374.db2.gz IROICENYFOIYPK-NSHDSACASA-N 0 1 393.369 3.242 20 0 GGADMN C[C@H](NCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(F)F ZINC000275481820 1435142512 /nfs/dbraw/zinc/14/25/12/1435142512.db2.gz QPPGCLPNYGNIQD-ZDUSSCGKSA-N 0 1 383.402 3.492 20 0 GGADMN COC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)cc1 ZINC000275491313 1435143079 /nfs/dbraw/zinc/14/30/79/1435143079.db2.gz ZNTSCHWRUBEPOI-DLENHJPASA-N 0 1 393.487 3.344 20 0 GGADMN COc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000275544467 1435147013 /nfs/dbraw/zinc/14/70/13/1435147013.db2.gz ARWNFMGZWTVWIY-LBPRGKRZSA-N 0 1 389.418 3.023 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000275552020 1435147622 /nfs/dbraw/zinc/14/76/22/1435147622.db2.gz BUIWRCMIFXMSLB-INIZCTEOSA-N 0 1 384.480 3.183 20 0 GGADMN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cccc3c2CN(CC(C)C)C3)cnn1C ZINC000275582045 1435150322 /nfs/dbraw/zinc/15/03/22/1435150322.db2.gz IZIMTPXAKGKDTQ-UWJYYQICSA-N 0 1 382.508 3.416 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cccc(C3SCCS3)c2)CCN1CC(C)(C)O ZINC000275584457 1435150513 /nfs/dbraw/zinc/15/05/13/1435150513.db2.gz GAJIOQOSQZRENT-AWEZNQCLSA-N 0 1 395.594 3.474 20 0 GGADMN CCCN(C(=O)C(=O)Nc1c(C)noc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000275648764 1435156192 /nfs/dbraw/zinc/15/61/92/1435156192.db2.gz GCBCEHFYXVVCMI-LJQANCHMSA-N 0 1 398.507 3.133 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)C1(C)C ZINC000275697844 1435160728 /nfs/dbraw/zinc/16/07/28/1435160728.db2.gz FIGLEBKHCRCPFJ-KNQAVFIVSA-N 0 1 399.491 3.140 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)C1(C)C ZINC000275697861 1435160742 /nfs/dbraw/zinc/16/07/42/1435160742.db2.gz FIGLEBKHCRCPFJ-UGKGYDQZSA-N 0 1 399.491 3.140 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)C1(C)C ZINC000275697854 1435160773 /nfs/dbraw/zinc/16/07/73/1435160773.db2.gz FIGLEBKHCRCPFJ-SIKLNZKXSA-N 0 1 399.491 3.140 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)c3c[nH]nc3-c3ccsc3)cn2)C[C@H](C)O1 ZINC000275711040 1435161912 /nfs/dbraw/zinc/16/19/12/1435161912.db2.gz SBWCUXIOVAVKAI-STQMWFEESA-N 0 1 383.477 3.399 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCCN2CCCOCC2)c1 ZINC000275722882 1435162834 /nfs/dbraw/zinc/16/28/34/1435162834.db2.gz ITPGADKPXIBMGA-UHFFFAOYSA-N 0 1 396.463 3.017 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(Cl)c1 ZINC000275759755 1435166482 /nfs/dbraw/zinc/16/64/82/1435166482.db2.gz YLRCUDVVTMETEJ-NSHDSACASA-N 0 1 393.875 3.185 20 0 GGADMN CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)C1(C)C ZINC000275783257 1435168703 /nfs/dbraw/zinc/16/87/03/1435168703.db2.gz NHRCLAUKTLCVML-KNQAVFIVSA-N 0 1 399.491 3.140 20 0 GGADMN Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000275785341 1435169203 /nfs/dbraw/zinc/16/92/03/1435169203.db2.gz WTDAFDXUMZOBGD-AWEZNQCLSA-N 0 1 395.429 3.225 20 0 GGADMN CC[C@@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1nc(C(F)(F)F)cs1 ZINC000275788475 1435169560 /nfs/dbraw/zinc/16/95/60/1435169560.db2.gz NULIUQUGCNRRLY-SNVBAGLBSA-N 0 1 384.387 3.167 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cccc(C[S@](C)=O)c3)C1)CCCC2 ZINC000275798228 1435170530 /nfs/dbraw/zinc/17/05/30/1435170530.db2.gz XMHKLBYSCCRARB-CLYVBNDRSA-N 0 1 385.533 3.036 20 0 GGADMN CCOc1cc(CN2CC[C@@H](OCCOC)C2)ccc1OCC(F)(F)F ZINC000275809145 1435171578 /nfs/dbraw/zinc/17/15/78/1435171578.db2.gz DJJJOXOWFJLQSE-OAHLLOKOSA-N 0 1 377.403 3.264 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000275927313 1435180096 /nfs/dbraw/zinc/18/00/96/1435180096.db2.gz VUNRBKKVQJJVNP-CABCVRRESA-N 0 1 381.542 3.375 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000275927314 1435180320 /nfs/dbraw/zinc/18/03/20/1435180320.db2.gz VUNRBKKVQJJVNP-GJZGRUSLSA-N 0 1 381.542 3.375 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000275927317 1435180362 /nfs/dbraw/zinc/18/03/62/1435180362.db2.gz VUNRBKKVQJJVNP-HUUCEWRRSA-N 0 1 381.542 3.375 20 0 GGADMN COc1ccc2c(c1)[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)CCS2 ZINC000276094550 1435190509 /nfs/dbraw/zinc/19/05/09/1435190509.db2.gz DKIUIPQFEUADMR-CJNGLKHVSA-N 0 1 387.427 3.005 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)n[nH]1 ZINC000276116375 1435192062 /nfs/dbraw/zinc/19/20/62/1435192062.db2.gz ARMASJAWIMATAK-WDEREUQCSA-N 0 1 381.864 3.317 20 0 GGADMN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000276148453 1435193861 /nfs/dbraw/zinc/19/38/61/1435193861.db2.gz QBHBCURQVZQZFO-MRXNPFEDSA-N 0 1 384.446 3.418 20 0 GGADMN C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276158374 1435194476 /nfs/dbraw/zinc/19/44/76/1435194476.db2.gz GFMQSISMOOBVEL-KXBFYZLASA-N 0 1 378.538 3.064 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000276310349 1435203985 /nfs/dbraw/zinc/20/39/85/1435203985.db2.gz FHWTXZLVRGUMDV-KRWDZBQOSA-N 0 1 397.567 3.466 20 0 GGADMN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000276345707 1435206156 /nfs/dbraw/zinc/20/61/56/1435206156.db2.gz MYEAABNQSSCSMM-ZDUSSCGKSA-N 0 1 399.438 3.265 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cnn1C(C)C ZINC000276360740 1435206906 /nfs/dbraw/zinc/20/69/06/1435206906.db2.gz MUUJBCZBCUAFSN-CABCVRRESA-N 0 1 378.542 3.435 20 0 GGADMN CCS(=O)(=O)CCCCCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000276365300 1435207242 /nfs/dbraw/zinc/20/72/42/1435207242.db2.gz BKIWLJXXJLQSPZ-CQSZACIVSA-N 0 1 383.489 3.440 20 0 GGADMN COC(=O)c1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C)cc1C ZINC000276381020 1435208121 /nfs/dbraw/zinc/20/81/21/1435208121.db2.gz CVGXLFBOUWZCDW-OAHLLOKOSA-N 0 1 397.479 3.497 20 0 GGADMN CCS(=O)(=O)CCCCCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276391594 1435208875 /nfs/dbraw/zinc/20/88/75/1435208875.db2.gz IJTFGAURHIWFKM-AWEZNQCLSA-N 0 1 381.498 3.001 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)c2)CC1 ZINC000276393384 1435208927 /nfs/dbraw/zinc/20/89/27/1435208927.db2.gz VDEHXZNACFHKNN-QGZVFWFLSA-N 0 1 383.458 3.237 20 0 GGADMN O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)c2ccccc21 ZINC000276445998 1435211775 /nfs/dbraw/zinc/21/17/75/1435211775.db2.gz LAVCYLLFWLXYBW-JOCHJYFZSA-N 0 1 391.515 3.075 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)n[nH]1 ZINC000276449410 1435211991 /nfs/dbraw/zinc/21/19/91/1435211991.db2.gz JWQIHTQHBWLLJW-LBPRGKRZSA-N 0 1 397.487 3.084 20 0 GGADMN Nc1ccc(F)c(NC(=O)CCN2CCN(c3cncc4ccccc43)CC2)c1 ZINC000276447701 1435211997 /nfs/dbraw/zinc/21/19/97/1435211997.db2.gz MKXOTCRJCXNSEU-UHFFFAOYSA-N 0 1 393.466 3.107 20 0 GGADMN CCS(=O)(=O)CCCCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000276454050 1435212312 /nfs/dbraw/zinc/21/23/12/1435212312.db2.gz KSXKKYDQHFYBPH-UHFFFAOYSA-N 0 1 390.553 3.256 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000276482798 1435213799 /nfs/dbraw/zinc/21/37/99/1435213799.db2.gz SFIOELVVHNFAOA-RXVVDRJESA-N 0 1 377.488 3.265 20 0 GGADMN CCc1cc(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)n[nH]1 ZINC000276608121 1435220538 /nfs/dbraw/zinc/22/05/38/1435220538.db2.gz DREAFBXSPRIFSV-UHFFFAOYSA-N 0 1 376.501 3.225 20 0 GGADMN COCCCOc1cc(C)ccc1CNCc1ccc(N(C)CCOC)nc1 ZINC000276612325 1435220779 /nfs/dbraw/zinc/22/07/79/1435220779.db2.gz IXDBRPWONIMQPL-UHFFFAOYSA-N 0 1 387.524 3.178 20 0 GGADMN C[C@@H](O)[C@](C)(CNCc1c(Cl)cccc1S(C)(=O)=O)Cc1ccccc1 ZINC000276688871 1435225457 /nfs/dbraw/zinc/22/54/57/1435225457.db2.gz KBFSEXVZIOEEQB-QRWLVFNGSA-N 0 1 395.952 3.463 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2 ZINC000276707916 1435226777 /nfs/dbraw/zinc/22/67/77/1435226777.db2.gz PCYLARQEYIAANL-UHFFFAOYSA-N 0 1 399.495 3.211 20 0 GGADMN COc1coc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)cc1=O ZINC000276712762 1435227205 /nfs/dbraw/zinc/22/72/05/1435227205.db2.gz DCTRJBHYVSHHQW-UHFFFAOYSA-N 0 1 392.496 3.262 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1ccccc1OCC(C)C ZINC000276727096 1435228325 /nfs/dbraw/zinc/22/83/25/1435228325.db2.gz AWNFDGRLBXVMOM-UHFFFAOYSA-N 0 1 380.448 3.161 20 0 GGADMN O=C1CCCN1[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000276727132 1435228362 /nfs/dbraw/zinc/22/83/62/1435228362.db2.gz AXEKTJHGVGXHAN-OAQYLSRUSA-N 0 1 387.487 3.131 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(F)c(NC(C)=O)c2)[nH]1 ZINC000276746282 1435229587 /nfs/dbraw/zinc/22/95/87/1435229587.db2.gz FOINNUXCEOCBGI-UHFFFAOYSA-N 0 1 390.415 3.279 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC3CCN(c4ccccn4)CC3)n2)c1 ZINC000276755910 1435230212 /nfs/dbraw/zinc/23/02/12/1435230212.db2.gz LWPIFRBLXSQMKN-HNNXBMFYSA-N 0 1 379.464 3.460 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccccc2-c2nncn2CC)n[nH]1 ZINC000276758374 1435230419 /nfs/dbraw/zinc/23/04/19/1435230419.db2.gz BMXNGIHTILOEON-CHWSQXEVSA-N 0 1 382.472 3.479 20 0 GGADMN O=C(c1cccc2n[nH]cc21)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276765216 1435230749 /nfs/dbraw/zinc/23/07/49/1435230749.db2.gz BYNQCLXIWRSKPC-QGZVFWFLSA-N 0 1 381.436 3.207 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)n[nH]1 ZINC000276776054 1435231642 /nfs/dbraw/zinc/23/16/42/1435231642.db2.gz CUIXRJOEVPOJQB-NEPJUHHUSA-N 0 1 398.471 3.317 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)n[nH]1 ZINC000276777794 1435231819 /nfs/dbraw/zinc/23/18/19/1435231819.db2.gz ADQJCJYPPLPGHB-XQQFMLRXSA-N 0 1 383.456 3.490 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)n[nH]1 ZINC000276777776 1435231928 /nfs/dbraw/zinc/23/19/28/1435231928.db2.gz ADQJCJYPPLPGHB-RWMBFGLXSA-N 0 1 383.456 3.490 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1 ZINC000276788356 1435232575 /nfs/dbraw/zinc/23/25/75/1435232575.db2.gz DYTGEULVXDKMKW-OLZOCXBDSA-N 0 1 386.456 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(OCCCOC)c2)n[nH]1 ZINC000276787626 1435232618 /nfs/dbraw/zinc/23/26/18/1435232618.db2.gz BDSKDCHQIXFMMD-LSDHHAIUSA-N 0 1 389.500 3.294 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n[nH]1 ZINC000276788360 1435232655 /nfs/dbraw/zinc/23/26/55/1435232655.db2.gz DYTGEULVXDKMKW-QWHCGFSZSA-N 0 1 386.456 3.153 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)n[nH]1 ZINC000276791281 1435232729 /nfs/dbraw/zinc/23/27/29/1435232729.db2.gz BMMMTNYSOXRYFU-KBPBESRZSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)n[nH]1 ZINC000276791290 1435232807 /nfs/dbraw/zinc/23/28/07/1435232807.db2.gz BMMMTNYSOXRYFU-ZIAGYGMSSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2nc3cccc(Cl)c3n2C)n[nH]1 ZINC000276791406 1435232851 /nfs/dbraw/zinc/23/28/51/1435232851.db2.gz BOODQGZWULQQSE-WDEREUQCSA-N 0 1 389.891 3.419 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000276793030 1435232920 /nfs/dbraw/zinc/23/29/20/1435232920.db2.gz RHFMEIXGFIGFOV-KRWDZBQOSA-N 0 1 398.467 3.152 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000276798928 1435233309 /nfs/dbraw/zinc/23/33/09/1435233309.db2.gz CJCDRBHRCRKDMO-NEPJUHHUSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)n[nH]1 ZINC000276796997 1435233357 /nfs/dbraw/zinc/23/33/57/1435233357.db2.gz CGTLAPYUHRQKDD-KGLIPLIRSA-N 0 1 399.495 3.456 20 0 GGADMN O=C(c1cccc2[nH]cnc21)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276801488 1435233493 /nfs/dbraw/zinc/23/34/93/1435233493.db2.gz GMFXLGWCBNRQNE-INIZCTEOSA-N 0 1 381.436 3.207 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)n[nH]1 ZINC000276800939 1435233605 /nfs/dbraw/zinc/23/36/05/1435233605.db2.gz CMBLFQZLQYBGDM-JGWBXMRGSA-N 0 1 377.514 3.177 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(CCSC)cc2)n[nH]1 ZINC000276802954 1435233746 /nfs/dbraw/zinc/23/37/46/1435233746.db2.gz CUIZGZMPAWGQFV-STQMWFEESA-N 0 1 389.525 3.040 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000276801761 1435233765 /nfs/dbraw/zinc/23/37/65/1435233765.db2.gz MOZDBEDXGSCFKQ-OAHLLOKOSA-N 0 1 398.488 3.079 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000276801757 1435233831 /nfs/dbraw/zinc/23/38/31/1435233831.db2.gz MOZDBEDXGSCFKQ-HNNXBMFYSA-N 0 1 398.488 3.079 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)n[nH]1 ZINC000276804734 1435234003 /nfs/dbraw/zinc/23/40/03/1435234003.db2.gz DAIHTDCONYWNPZ-WDEREUQCSA-N 0 1 396.451 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCCC(=O)N2Cc3ccccc3C2)n[nH]1 ZINC000276816783 1435234877 /nfs/dbraw/zinc/23/48/77/1435234877.db2.gz FCZKAJZJXGZBLE-CABCVRRESA-N 0 1 398.511 3.001 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000276818190 1435235024 /nfs/dbraw/zinc/23/50/24/1435235024.db2.gz PBDIJXCLMYSHKU-UHFFFAOYSA-N 0 1 394.475 3.441 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276821528 1435235149 /nfs/dbraw/zinc/23/51/49/1435235149.db2.gz FPIZIIVALOMAPP-DTWKUNHWSA-N 0 1 390.435 3.396 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cccc(N3CCOC3=O)c2C)n[nH]1 ZINC000276822750 1435235221 /nfs/dbraw/zinc/23/52/21/1435235221.db2.gz IJEFXULIFBHWAQ-AAEUAGOBSA-N 0 1 386.456 3.466 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)n[nH]1 ZINC000276821434 1435235241 /nfs/dbraw/zinc/23/52/41/1435235241.db2.gz FOOUUURZXHMFGR-ZJUUUORDSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OCC(C)C)n[nH]1 ZINC000276826410 1435235682 /nfs/dbraw/zinc/23/56/82/1435235682.db2.gz FYBHUJWYBHVFOU-UONOGXRCSA-N 0 1 387.484 3.169 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)n[nH]1 ZINC000276830577 1435235844 /nfs/dbraw/zinc/23/58/44/1435235844.db2.gz GNBTYLXOJOHHFF-GMXVVIOVSA-N 0 1 375.477 3.336 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000276832287 1435236044 /nfs/dbraw/zinc/23/60/44/1435236044.db2.gz HSUKSBVBXDKCSJ-WDEREUQCSA-N 0 1 377.445 3.227 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)n[nH]1 ZINC000276834900 1435236260 /nfs/dbraw/zinc/23/62/60/1435236260.db2.gz HBMPMRAMSPVRIY-AAEUAGOBSA-N 0 1 396.451 3.098 20 0 GGADMN CCOc1cc(CNC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)ccc1OC ZINC000276836979 1435236539 /nfs/dbraw/zinc/23/65/39/1435236539.db2.gz HCNNUEQFSCVVDI-QWHCGFSZSA-N 0 1 375.473 3.286 20 0 GGADMN CCOc1cc(CNC(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)ccc1OC ZINC000276836977 1435236575 /nfs/dbraw/zinc/23/65/75/1435236575.db2.gz HCNNUEQFSCVVDI-OLZOCXBDSA-N 0 1 375.473 3.286 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000276840380 1435236717 /nfs/dbraw/zinc/23/67/17/1435236717.db2.gz SJXDLXMYVDPPBU-SFHVURJKSA-N 0 1 392.459 3.018 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc2c[nH]nc2cc1C)c1ccsc1 ZINC000276842567 1435236928 /nfs/dbraw/zinc/23/69/28/1435236928.db2.gz SSFYSVYBPOSLDX-GOSISDBHSA-N 0 1 399.520 3.071 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000276850496 1435237332 /nfs/dbraw/zinc/23/73/32/1435237332.db2.gz UTAUDFBODFSXNF-HNNXBMFYSA-N 0 1 380.448 3.094 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n[nH]1 ZINC000276849730 1435237444 /nfs/dbraw/zinc/23/74/44/1435237444.db2.gz IVMFGJZYGXFYJW-NEPJUHHUSA-N 0 1 396.451 3.098 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276871083 1435238941 /nfs/dbraw/zinc/23/89/41/1435238941.db2.gz LNHOOYUDAVQXOT-NEPJUHHUSA-N 0 1 391.447 3.062 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276871086 1435238912 /nfs/dbraw/zinc/23/89/12/1435238912.db2.gz LNHOOYUDAVQXOT-NWDGAFQWSA-N 0 1 391.447 3.062 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276871131 1435238962 /nfs/dbraw/zinc/23/89/62/1435238962.db2.gz LNXZPPXNVKKWEZ-UONOGXRCSA-N 0 1 387.484 3.313 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(SC)c(F)c2)n[nH]1 ZINC000276873253 1435239172 /nfs/dbraw/zinc/23/91/72/1435239172.db2.gz LQEHNQMHXZURKH-DTWKUNHWSA-N 0 1 397.451 3.134 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2CSc2nc[nH]n2)n[nH]1 ZINC000276878910 1435239520 /nfs/dbraw/zinc/23/95/20/1435239520.db2.gz IHQNKWCTMMPWJI-VXGBXAGGSA-N 0 1 385.497 3.220 20 0 GGADMN CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000276877676 1435239610 /nfs/dbraw/zinc/23/96/10/1435239610.db2.gz MFBRLJPCOHAKGO-MELADBBJSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2nc3cc(Cl)ccc3n2C)n[nH]1 ZINC000276883885 1435240144 /nfs/dbraw/zinc/24/01/44/1435240144.db2.gz MSBXSZXILOZLRV-WDEREUQCSA-N 0 1 389.891 3.419 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)n[nH]1 ZINC000276892859 1435240572 /nfs/dbraw/zinc/24/05/72/1435240572.db2.gz NWRSUPLLTICHJD-HTQZYQBOSA-N 0 1 385.802 3.066 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2csc([C@@H]3CCCO3)n2)[nH]1 ZINC000276891356 1435240675 /nfs/dbraw/zinc/24/06/75/1435240675.db2.gz NCEAHWYFKHZSKB-LBPRGKRZSA-N 0 1 392.481 3.489 20 0 GGADMN CCOCCOCc1cccc(NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000276899284 1435241173 /nfs/dbraw/zinc/24/11/73/1435241173.db2.gz DCNHDSYRIHPCGV-UHFFFAOYSA-N 0 1 396.447 3.002 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2sc(C)nc2CC(C)C)n[nH]1 ZINC000276898014 1435241195 /nfs/dbraw/zinc/24/11/95/1435241195.db2.gz OOLSJHSMWOEZPL-MNOVXSKESA-N 0 1 392.529 3.098 20 0 GGADMN CN1C(=O)C[C@H](NCc2cc(F)cc3c2OCOC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000276905500 1435241712 /nfs/dbraw/zinc/24/17/12/1435241712.db2.gz IKTPXVQPYGECFG-HKUYNNGSSA-N 0 1 392.377 3.032 20 0 GGADMN CC(=O)Nc1cccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1C ZINC000276905983 1435241829 /nfs/dbraw/zinc/24/18/29/1435241829.db2.gz JYBXEMSEBCWAEX-QGZVFWFLSA-N 0 1 380.492 3.424 20 0 GGADMN CCSc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000276905871 1435241888 /nfs/dbraw/zinc/24/18/88/1435241888.db2.gz PLYGSKMDNVUIPJ-NEPJUHHUSA-N 0 1 375.498 3.246 20 0 GGADMN COc1ccccc1CN(C(=O)C(=O)Nc1cc2cn[nH]c2cc1C)C1CC1 ZINC000276909645 1435242010 /nfs/dbraw/zinc/24/20/10/1435242010.db2.gz FMMGHKAWLOWLAO-UHFFFAOYSA-N 0 1 378.432 3.010 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)n[nH]1 ZINC000276908960 1435242097 /nfs/dbraw/zinc/24/20/97/1435242097.db2.gz PXDQHNHWUPMODK-MJBXVCDLSA-N 0 1 388.520 3.148 20 0 GGADMN CC[C@@H](NC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)c1nnc2n1CCCCC2 ZINC000276908956 1435242106 /nfs/dbraw/zinc/24/21/06/1435242106.db2.gz PXDQHNHWUPMODK-MELADBBJSA-N 0 1 388.520 3.148 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276909280 1435242124 /nfs/dbraw/zinc/24/21/24/1435242124.db2.gz JSXWJHRKFAYVKM-WDEREUQCSA-N 0 1 377.445 3.227 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cc(OC)ccc2OC(F)F)n[nH]1 ZINC000276910398 1435242270 /nfs/dbraw/zinc/24/22/70/1435242270.db2.gz QBICSBBCLANJIF-GHMZBOCLSA-N 0 1 397.426 3.489 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000276912344 1435242416 /nfs/dbraw/zinc/24/24/16/1435242416.db2.gz KAWSTHVNBVCXFX-SXLOBPIMSA-N 0 1 388.487 3.100 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cc(COC(C)(C)C)on2)n[nH]1 ZINC000276919283 1435242910 /nfs/dbraw/zinc/24/29/10/1435242910.db2.gz RHKXYBCOHWLTRI-RYUDHWBXSA-N 0 1 378.477 3.182 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccn(CCc3ccncc3)n2)n[nH]1 ZINC000276923960 1435243286 /nfs/dbraw/zinc/24/32/86/1435243286.db2.gz LNEZWUBODQBVIW-KBPBESRZSA-N 0 1 382.472 3.035 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)n[nH]1 ZINC000276925521 1435243505 /nfs/dbraw/zinc/24/35/05/1435243505.db2.gz SDLXFAHPBTYCOH-VXGBXAGGSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)n[nH]1 ZINC000276924038 1435243565 /nfs/dbraw/zinc/24/35/65/1435243565.db2.gz SAWPXKUEMDJJCB-STQMWFEESA-N 0 1 387.484 3.311 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000276926947 1435243735 /nfs/dbraw/zinc/24/37/35/1435243735.db2.gz IDRCBJKJZDQEOI-UHFFFAOYSA-N 0 1 380.423 3.088 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccnc2-c2ccccc2)n[nH]1 ZINC000276927001 1435243745 /nfs/dbraw/zinc/24/37/45/1435243745.db2.gz SJBGBBRHHLXXSV-KGLIPLIRSA-N 0 1 392.463 3.196 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)n[nH]1 ZINC000276928497 1435243903 /nfs/dbraw/zinc/24/39/03/1435243903.db2.gz MCGJTSWPWASGFD-OLZOCXBDSA-N 0 1 390.463 3.177 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)cc(N3CCOCC3)c2)n[nH]1 ZINC000276928493 1435243926 /nfs/dbraw/zinc/24/39/26/1435243926.db2.gz MCGJTSWPWASGFD-CHWSQXEVSA-N 0 1 390.463 3.177 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)n[nH]1 ZINC000276928505 1435243970 /nfs/dbraw/zinc/24/39/70/1435243970.db2.gz SPLCGJSVEIDHAN-JSGCOSHPSA-N 0 1 387.484 3.230 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)n[nH]1 ZINC000276930085 1435244167 /nfs/dbraw/zinc/24/41/67/1435244167.db2.gz SWLGASOVKNQOSU-NXEZZACHSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000276931580 1435244173 /nfs/dbraw/zinc/24/41/73/1435244173.db2.gz MIZHPIUJVADCCI-KGLIPLIRSA-N 0 1 384.484 3.323 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000276930757 1435244204 /nfs/dbraw/zinc/24/42/04/1435244204.db2.gz IRKZVFMVBCHBRJ-DNVCBOLYSA-N 0 1 392.459 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000276931576 1435244283 /nfs/dbraw/zinc/24/42/83/1435244283.db2.gz MIZHPIUJVADCCI-KBPBESRZSA-N 0 1 384.484 3.323 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000276936311 1435244776 /nfs/dbraw/zinc/24/47/76/1435244776.db2.gz JLGJMVFJHRVENI-KRWDZBQOSA-N 0 1 394.431 3.006 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)n[nH]1 ZINC000276939494 1435245211 /nfs/dbraw/zinc/24/52/11/1435245211.db2.gz NGVUXWNTCQXZEI-RRFJBIMHSA-N 0 1 386.500 3.426 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCCC(=O)N2CCc3ccccc32)n[nH]1 ZINC000276944005 1435245681 /nfs/dbraw/zinc/24/56/81/1435245681.db2.gz VCDKWPIHULIBIG-LSDHHAIUSA-N 0 1 398.511 3.048 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2N2CCCCC2)n[nH]1 ZINC000276945740 1435245815 /nfs/dbraw/zinc/24/58/15/1435245815.db2.gz VGZXDMNXGJFTKY-GJZGRUSLSA-N 0 1 398.511 3.124 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(SC)c2C)n[nH]1 ZINC000276947571 1435245822 /nfs/dbraw/zinc/24/58/22/1435245822.db2.gz VJXOUGHKTRNDJT-CMPLNLGQSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)n[nH]1 ZINC000276947353 1435245953 /nfs/dbraw/zinc/24/59/53/1435245953.db2.gz NXBUFQZDDIGSPH-WCQYABFASA-N 0 1 386.456 3.466 20 0 GGADMN Cc1ccc(C)n1C1CCN(C(=O)C(=O)Nc2cc3cn[nH]c3cc2C)CC1 ZINC000276955136 1435246617 /nfs/dbraw/zinc/24/66/17/1435246617.db2.gz LNHFGYSDCRVMMP-UHFFFAOYSA-N 0 1 379.464 3.092 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(CN(C)C(=O)OC)cc2)n[nH]1 ZINC000276960829 1435247269 /nfs/dbraw/zinc/24/72/69/1435247269.db2.gz PFCGTRIBMHVUKR-QWHCGFSZSA-N 0 1 388.472 3.399 20 0 GGADMN CCOc1cc(CNCc2ccc(N(C)CCOC)nc2)ccc1OC(F)F ZINC000276962941 1435247547 /nfs/dbraw/zinc/24/75/47/1435247547.db2.gz MULHNCIYIZGRRP-UHFFFAOYSA-N 0 1 395.450 3.454 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)n[nH]1 ZINC000276967474 1435247997 /nfs/dbraw/zinc/24/79/97/1435247997.db2.gz XUAGRTLWBOEUFH-HTQZYQBOSA-N 0 1 385.802 3.066 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000276968868 1435248144 /nfs/dbraw/zinc/24/81/44/1435248144.db2.gz FNUCTMIQDIMBEO-LJQANCHMSA-N 0 1 389.519 3.309 20 0 GGADMN CCc1c(NS(=O)(=O)c2cccc(F)c2C(=O)OC)cnn1CCC(C)C ZINC000276970889 1435248443 /nfs/dbraw/zinc/24/84/43/1435248443.db2.gz WUSAZWRTIQDFIP-UHFFFAOYSA-N 0 1 397.472 3.218 20 0 GGADMN C[C@@H](c1nc(Cc2nc(N)nc(Nc3ccccc3)n2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276976502 1435248774 /nfs/dbraw/zinc/24/87/74/1435248774.db2.gz VCFZLVGTJASDRD-MJBXVCDLSA-N 0 1 394.483 3.105 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000276992786 1435250507 /nfs/dbraw/zinc/25/05/07/1435250507.db2.gz NKVCMRSRCDNIQY-UHFFFAOYSA-N 0 1 378.432 3.375 20 0 GGADMN C[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1nc(-c2ccccc2)cs1 ZINC000276995609 1435250652 /nfs/dbraw/zinc/25/06/52/1435250652.db2.gz JBPBGVSQDSLZLQ-JTQLQIEISA-N 0 1 385.411 3.444 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000277004809 1435251427 /nfs/dbraw/zinc/25/14/27/1435251427.db2.gz OWAKHPONXVSQQK-HNNXBMFYSA-N 0 1 391.475 3.287 20 0 GGADMN COC1(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)CCOCC1 ZINC000277007392 1435251641 /nfs/dbraw/zinc/25/16/41/1435251641.db2.gz KTXXRGRWYMSZGK-MRXNPFEDSA-N 0 1 393.503 3.246 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)CS(=O)(=O)c2ccccc2)c2ccccc2)n1 ZINC000277024681 1435253237 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0 1 382.472 3.398 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)n[nH]1 ZINC000277060701 1435257817 /nfs/dbraw/zinc/25/78/17/1435257817.db2.gz DEOZQYSWFWNFTG-KKUMJFAQSA-N 0 1 391.541 3.270 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)n[nH]1 ZINC000277065897 1435258338 /nfs/dbraw/zinc/25/83/38/1435258338.db2.gz DKCSXYDLTMYPOD-WOSRLPQWSA-N 0 1 397.483 3.354 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3cc(C4CC4)[nH]n3)c2C1 ZINC000277066175 1435258367 /nfs/dbraw/zinc/25/83/67/1435258367.db2.gz QTUXPEZKVRTOMP-CYBMUJFWSA-N 0 1 381.480 3.224 20 0 GGADMN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000277065748 1435258432 /nfs/dbraw/zinc/25/84/32/1435258432.db2.gz RZGSSARVIHSRRT-UHFFFAOYSA-N 0 1 384.354 3.392 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OC)c(OCCOC)c2)n[nH]1 ZINC000277067604 1435258623 /nfs/dbraw/zinc/25/86/23/1435258623.db2.gz PZYDAPURQNDNLU-OLZOCXBDSA-N 0 1 391.472 3.235 20 0 GGADMN CCn1ncc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1-c1ccccc1 ZINC000277071268 1435259097 /nfs/dbraw/zinc/25/90/97/1435259097.db2.gz JSFGAJVFQCMLPP-UHFFFAOYSA-N 0 1 389.503 3.359 20 0 GGADMN CC(C)Cn1ncc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1-c1ccccc1 ZINC000277088799 1435260798 /nfs/dbraw/zinc/26/07/98/1435260798.db2.gz KBENFBCHNXBEMR-IBGZPJMESA-N 0 1 396.535 3.000 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCCC3)nc2)n[nH]1 ZINC000277088404 1435260822 /nfs/dbraw/zinc/26/08/22/1435260822.db2.gz CYRFENVBQGGVOC-LSDHHAIUSA-N 0 1 385.516 3.264 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(OCc3ccccc3)CCOCC2)n[nH]1 ZINC000277090351 1435261030 /nfs/dbraw/zinc/26/10/30/1435261030.db2.gz PLQSODKYZWUWKT-JKSUJKDBSA-N 0 1 386.496 3.261 20 0 GGADMN CC(C)(Cc1ccc(C(F)(F)F)cc1)NCc1nnnn1CC(F)(F)F ZINC000277092803 1435261271 /nfs/dbraw/zinc/26/12/71/1435261271.db2.gz NKDNRHMMTCOVIW-UHFFFAOYSA-N 0 1 381.324 3.365 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)n[nH]1 ZINC000277108673 1435262778 /nfs/dbraw/zinc/26/27/78/1435262778.db2.gz FQJXWGPRRUNOTA-DOMZBBRYSA-N 0 1 396.499 3.076 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn(C)c(=O)c2ccccc12 ZINC000277126595 1435265364 /nfs/dbraw/zinc/26/53/64/1435265364.db2.gz ZLPZOMHBPZAZHJ-GOSISDBHSA-N 0 1 389.499 3.275 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)n[nH]1 ZINC000277131897 1435265993 /nfs/dbraw/zinc/26/59/93/1435265993.db2.gz CSUZEBZCMUAHEF-WDEREUQCSA-N 0 1 386.456 3.094 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CSCc2cn3cc(C)ccc3n2)n[nH]1 ZINC000277139641 1435267222 /nfs/dbraw/zinc/26/72/22/1435267222.db2.gz VEIMJFLTGBNEKJ-ZIAGYGMSSA-N 0 1 386.525 3.385 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1CCN(c2cccnn2)CC1 ZINC000277140249 1435267308 /nfs/dbraw/zinc/26/73/08/1435267308.db2.gz VPPUVNQBIGBWRA-UHFFFAOYSA-N 0 1 387.394 3.081 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(CN3CCCC3=O)c2)n[nH]1 ZINC000277141001 1435267746 /nfs/dbraw/zinc/26/77/46/1435267746.db2.gz GVXSZHDNUVUVEW-LSDHHAIUSA-N 0 1 398.511 3.001 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccnc(N3CCCCC3)c2)n[nH]1 ZINC000277144819 1435268371 /nfs/dbraw/zinc/26/83/71/1435268371.db2.gz HAMYCANKVZIKQI-LSDHHAIUSA-N 0 1 385.516 3.264 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277144574 1435268558 /nfs/dbraw/zinc/26/85/58/1435268558.db2.gz AGQITZITMQYYLK-VBKZILBWSA-N 0 1 392.459 3.481 20 0 GGADMN COCCN(Cc1cccnc1)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000277151264 1435269497 /nfs/dbraw/zinc/26/94/97/1435269497.db2.gz VUFOEJCGSLEAAL-JXFKEZNVSA-N 0 1 378.900 3.322 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277163747 1435271179 /nfs/dbraw/zinc/27/11/79/1435271179.db2.gz XHSBSSWBMWYXBX-KBPBESRZSA-N 0 1 399.495 3.239 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)n[nH]1 ZINC000277164882 1435271701 /nfs/dbraw/zinc/27/17/01/1435271701.db2.gz IQPQHSXGQSTWDY-UONOGXRCSA-N 0 1 384.484 3.005 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2)n1 ZINC000277165689 1435272174 /nfs/dbraw/zinc/27/21/74/1435272174.db2.gz BNNHKUVYLDTTAW-WBMJQRKESA-N 0 1 385.855 3.327 20 0 GGADMN O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000277174034 1435273689 /nfs/dbraw/zinc/27/36/89/1435273689.db2.gz BWHYOWZLOQAAAA-UHFFFAOYSA-N 0 1 398.894 3.164 20 0 GGADMN FC(F)c1nnc2ccc(NC[C@H]3CSCCN3Cc3ccccc3)nn21 ZINC000277178248 1435274278 /nfs/dbraw/zinc/27/42/78/1435274278.db2.gz NIVUUEIRDWDJLH-AWEZNQCLSA-N 0 1 390.463 3.091 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)/C=C/c3ccn(C)c3)CC2)c1C ZINC000277182710 1435274948 /nfs/dbraw/zinc/27/49/48/1435274948.db2.gz ZDSIRNZUOQLIHG-VOTSOKGWSA-N 0 1 396.535 3.182 20 0 GGADMN Cc1c([C@@H](C)NC2CCN(c3cccnn3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000277184311 1435274954 /nfs/dbraw/zinc/27/49/54/1435274954.db2.gz UDUPNGNJQXYUHK-CQSZACIVSA-N 0 1 397.914 3.339 20 0 GGADMN C[C@@H]1C(=O)N(Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)N1C1CCC1 ZINC000277194600 1435276760 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CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)n[nH]1 ZINC000277705221 1435323251 /nfs/dbraw/zinc/32/32/51/1435323251.db2.gz DTXYRTFQVFYKFC-RLFYNMQTSA-N 0 1 383.496 3.249 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)n[nH]1 ZINC000277705348 1435323257 /nfs/dbraw/zinc/32/32/57/1435323257.db2.gz DVFTUAIFZZTBLG-GJZGRUSLSA-N 0 1 385.512 3.424 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)n[nH]1 ZINC000277705356 1435323267 /nfs/dbraw/zinc/32/32/67/1435323267.db2.gz DVFTUAIFZZTBLG-LSDHHAIUSA-N 0 1 385.512 3.424 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277746918 1435326544 /nfs/dbraw/zinc/32/65/44/1435326544.db2.gz LFDKFMUTBBHPJB-WMZOPIPTSA-N 0 1 396.409 3.345 20 0 GGADMN Cc1cc([C@@H]2NC(=O)N(C3CCN([C@H](C)c4ccncc4)CC3)C2=O)ccc1F ZINC000277752154 1435326948 /nfs/dbraw/zinc/32/69/48/1435326948.db2.gz VITFLFRDMWXEKJ-QRWLVFNGSA-N 0 1 396.466 3.348 20 0 GGADMN Cc1cc(C)c(NC(=O)CCCN2CCCC[C@@H](S(C)(=O)=O)C2)c(C)c1 ZINC000277772507 1435328895 /nfs/dbraw/zinc/32/88/95/1435328895.db2.gz NFLLTYUIMKSNST-GOSISDBHSA-N 0 1 380.554 3.230 20 0 GGADMN O=C(COc1ccc(Cl)cc1)CSc1nc(O)cc(=O)n1C1CCCC1 ZINC000277773831 1435329102 /nfs/dbraw/zinc/32/91/02/1435329102.db2.gz SWHCNDGSSXALAO-UHFFFAOYSA-N 0 1 394.880 3.458 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000277802536 1435331929 /nfs/dbraw/zinc/33/19/29/1435331929.db2.gz KSFRMNMBODQHQH-VXGBXAGGSA-N 0 1 397.435 3.235 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)CC1 ZINC000277811715 1435332781 /nfs/dbraw/zinc/33/27/81/1435332781.db2.gz ZWJQOCFAWWJYQH-LAUBAEHRSA-N 0 1 392.503 3.112 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)n[nH]1 ZINC000277812399 1435332818 /nfs/dbraw/zinc/33/28/18/1435332818.db2.gz LFUXYPUYWQVYGJ-OBJOEFQTSA-N 0 1 377.514 3.012 20 0 GGADMN CC[C@@]1(c2ccccc2)NC(=O)N(C2CCN([C@H](C)c3ccncc3)CC2)C1=O ZINC000277813489 1435332851 /nfs/dbraw/zinc/33/28/51/1435332851.db2.gz ZYAPBHHUUMFLGQ-HXOBKFHXSA-N 0 1 392.503 3.464 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)[C@H](Cc3ccccc3)N(C)C2=O)CC1 ZINC000277811725 1435332883 /nfs/dbraw/zinc/33/28/83/1435332883.db2.gz ZWJQOCFAWWJYQH-UWJYYQICSA-N 0 1 392.503 3.112 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)n[nH]1 ZINC000277820714 1435333646 /nfs/dbraw/zinc/33/36/46/1435333646.db2.gz LRRNPKZTJQHGRY-XMZIXOGTSA-N 0 1 393.438 3.041 20 0 GGADMN CCOc1ccc(-c2nc(CN3C[C@@H](c4cnn(C)c4)[C@H](CO)C3)cs2)cc1 ZINC000277837067 1435334869 /nfs/dbraw/zinc/33/48/69/1435334869.db2.gz RYQPVSWXRUWWNA-PXNSSMCTSA-N 0 1 398.532 3.150 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000277860691 1435337116 /nfs/dbraw/zinc/33/71/16/1435337116.db2.gz OCJJGPZSDUMSPO-CHWSQXEVSA-N 0 1 391.903 3.359 20 0 GGADMN CCc1nc(COc2ccc(C(=O)N[C@@H](C)c3n[nH]c([C@H](C)CC)n3)cc2)no1 ZINC000277868572 1435337722 /nfs/dbraw/zinc/33/77/22/1435337722.db2.gz OLUACXDHCHSZCV-OLZOCXBDSA-N 0 1 398.467 3.334 20 0 GGADMN CCOC(=O)c1cnc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c(Cl)c1 ZINC000277878271 1435338529 /nfs/dbraw/zinc/33/85/29/1435338529.db2.gz PBGMPVZSFQIOBZ-NXEZZACHSA-N 0 1 379.848 3.034 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3nc(-c4ccccc4Cl)cs3)C[C@H]2CO)cn1 ZINC000277881527 1435338863 /nfs/dbraw/zinc/33/88/63/1435338863.db2.gz VLRZXMBNMBYELZ-HOCLYGCPSA-N 0 1 388.924 3.405 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(OCc3noc(C)n3)c2)n[nH]1 ZINC000277886271 1435339344 /nfs/dbraw/zinc/33/93/44/1435339344.db2.gz PODOSCXWXRUKTA-NEPJUHHUSA-N 0 1 384.440 3.080 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(OCc3noc(C)n3)c2)n[nH]1 ZINC000277886282 1435339365 /nfs/dbraw/zinc/33/93/65/1435339365.db2.gz PODOSCXWXRUKTA-VXGBXAGGSA-N 0 1 384.440 3.080 20 0 GGADMN Cc1nc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)oc1-c1ccc(Cl)cc1 ZINC000277891208 1435339628 /nfs/dbraw/zinc/33/96/28/1435339628.db2.gz VZWLVMVALOPDLV-WMZOPIPTSA-N 0 1 386.883 3.245 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2c(C)nc(SC)nc2C)n[nH]1 ZINC000277949698 1435345080 /nfs/dbraw/zinc/34/50/80/1435345080.db2.gz SYGXXGKSHURVML-ZWNOBZJWSA-N 0 1 376.530 3.257 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN(Cc1cccs1)Cc1ccccc1OC ZINC000277971197 1435347084 /nfs/dbraw/zinc/34/70/84/1435347084.db2.gz APWVXQSSIKULOR-FUHWJXTLSA-N 0 1 379.522 3.171 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)n[nH]1 ZINC000278011553 1435349975 /nfs/dbraw/zinc/34/99/75/1435349975.db2.gz XJPXOVXZOURPAN-GXSJLCMTSA-N 0 1 386.422 3.114 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)n[nH]1 ZINC000278011577 1435350041 /nfs/dbraw/zinc/35/00/41/1435350041.db2.gz XJPXOVXZOURPAN-KOLCDFICSA-N 0 1 386.422 3.114 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000278018544 1435350552 /nfs/dbraw/zinc/35/05/52/1435350552.db2.gz XTZGPSPKCHEQKG-ZMSDIMECSA-N 0 1 383.496 3.048 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)OC)n[nH]1 ZINC000278018618 1435350601 /nfs/dbraw/zinc/35/06/01/1435350601.db2.gz XVECARJWWXTJFR-YNEHKIRRSA-N 0 1 390.509 3.463 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)n[nH]1 ZINC000278018547 1435350633 /nfs/dbraw/zinc/35/06/33/1435350633.db2.gz XTZGPSPKCHEQKG-ZOBUZTSGSA-N 0 1 383.496 3.048 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cnn(-c3ccccc3)c2COC)n[nH]1 ZINC000278025822 1435351381 /nfs/dbraw/zinc/35/13/81/1435351381.db2.gz YJAPZMMFNUVVGP-KGLIPLIRSA-N 0 1 382.468 3.141 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cnn(-c3ccccc3)c2COC)n[nH]1 ZINC000278025831 1435351400 /nfs/dbraw/zinc/35/14/00/1435351400.db2.gz YJAPZMMFNUVVGP-ZIAGYGMSSA-N 0 1 382.468 3.141 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(OCCOC)cc2Cl)n[nH]1 ZINC000278037636 1435352685 /nfs/dbraw/zinc/35/26/85/1435352685.db2.gz ZCFBLXXRAXKXDK-RYUDHWBXSA-N 0 1 380.876 3.488 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CSc2nncn2-c2ccc(C)cc2)n[nH]1 ZINC000278037555 1435352717 /nfs/dbraw/zinc/35/27/17/1435352717.db2.gz ZARASWNCZCOUJH-UONOGXRCSA-N 0 1 399.524 3.177 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CSc2nncn2-c2ccc(C)cc2)n[nH]1 ZINC000278037552 1435352732 /nfs/dbraw/zinc/35/27/32/1435352732.db2.gz ZARASWNCZCOUJH-KGLIPLIRSA-N 0 1 399.524 3.177 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(OCCOC)cc2Cl)n[nH]1 ZINC000278037635 1435352741 /nfs/dbraw/zinc/35/27/41/1435352741.db2.gz ZCFBLXXRAXKXDK-NWDGAFQWSA-N 0 1 380.876 3.488 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000278082282 1435357288 /nfs/dbraw/zinc/35/72/88/1435357288.db2.gz XCKUMVOZWPLWEX-UHFFFAOYSA-N 0 1 382.464 3.144 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278154639 1435364765 /nfs/dbraw/zinc/36/47/65/1435364765.db2.gz SYVDEKMSHRIZKS-LBPRGKRZSA-N 0 1 387.358 3.089 20 0 GGADMN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1CN1CCC(O)CC1)CC2 ZINC000278172132 1435366057 /nfs/dbraw/zinc/36/60/57/1435366057.db2.gz SOLSLIAUKRTIIU-FQEVSTJZSA-N 0 1 380.488 3.320 20 0 GGADMN Cc1cc([C@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c(C)o1 ZINC000278218511 1435370607 /nfs/dbraw/zinc/37/06/07/1435370607.db2.gz ISDVLIWJFNTMHV-QFBILLFUSA-N 0 1 386.492 3.421 20 0 GGADMN CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(N3CCOCC3)nc1)CCC2 ZINC000278223058 1435371236 /nfs/dbraw/zinc/37/12/36/1435371236.db2.gz JIXPAOZPRZLFRE-QGZVFWFLSA-N 0 1 399.491 3.164 20 0 GGADMN CC(C)(C)OC(=O)CCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000278241771 1435372739 /nfs/dbraw/zinc/37/27/39/1435372739.db2.gz XRFUEVXROREPPJ-UHFFFAOYSA-N 0 1 384.480 3.300 20 0 GGADMN Cn1nccc1N1CCC[C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000278245683 1435373172 /nfs/dbraw/zinc/37/31/72/1435373172.db2.gz VGISXSHUKPYBTI-LBPRGKRZSA-N 0 1 389.410 3.025 20 0 GGADMN COC(C)(C)CC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000278248953 1435373328 /nfs/dbraw/zinc/37/33/28/1435373328.db2.gz MCAYFGDZOWGJBX-UHFFFAOYSA-N 0 1 382.508 3.157 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)n[nH]1 ZINC000278282028 1435375963 /nfs/dbraw/zinc/37/59/63/1435375963.db2.gz GNXVDUVNCUWJTH-SNVBAGLBSA-N 0 1 389.410 3.490 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)n[nH]1 ZINC000278282019 1435376018 /nfs/dbraw/zinc/37/60/18/1435376018.db2.gz GNXVDUVNCUWJTH-JTQLQIEISA-N 0 1 389.410 3.490 20 0 GGADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278306046 1435378070 /nfs/dbraw/zinc/37/80/70/1435378070.db2.gz CEWSYNTXUNQHRH-NEPJUHHUSA-N 0 1 388.434 3.075 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NCCCNC(=O)OC(C)(C)C)n2)c1 ZINC000278313808 1435378804 /nfs/dbraw/zinc/37/88/04/1435378804.db2.gz FKJNDGOOCFNSIQ-ZDUSSCGKSA-N 0 1 376.457 3.311 20 0 GGADMN COC[C@H](C)OC[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000278322156 1435379767 /nfs/dbraw/zinc/37/97/67/1435379767.db2.gz KPFMYVIISCBCAS-ZWOKBUDYSA-N 0 1 375.513 3.167 20 0 GGADMN COC[C@H](C)OC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000278322134 1435379866 /nfs/dbraw/zinc/37/98/66/1435379866.db2.gz KPFMYVIISCBCAS-QKLQHJQFSA-N 0 1 375.513 3.167 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000278359387 1435383469 /nfs/dbraw/zinc/38/34/69/1435383469.db2.gz DZKYEJSRBWRLPE-HNNXBMFYSA-N 0 1 377.554 3.298 20 0 GGADMN C[C@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1c[nH]c2ccccc21 ZINC000278359925 1435383697 /nfs/dbraw/zinc/38/36/97/1435383697.db2.gz NYUXYAOPNNECDM-CQSZACIVSA-N 0 1 378.476 3.461 20 0 GGADMN C[C@@]12CCCN1C(=O)N(c1ccc(NC(=O)CN3CCCCCCC3)cc1)C2=O ZINC000278361328 1435383731 /nfs/dbraw/zinc/38/37/31/1435383731.db2.gz ZWWMUVVRMABEQS-QFIPXVFZSA-N 0 1 398.507 3.212 20 0 GGADMN C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1c[nH]c2ccccc21 ZINC000278359920 1435383770 /nfs/dbraw/zinc/38/37/70/1435383770.db2.gz NYUXYAOPNNECDM-AWEZNQCLSA-N 0 1 378.476 3.461 20 0 GGADMN CN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1)c1ccccc1 ZINC000278374620 1435385063 /nfs/dbraw/zinc/38/50/63/1435385063.db2.gz CDDOCKXUFGOPAP-NRFANRHFSA-N 0 1 377.488 3.457 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(-c2cc(C)ccn2)n1 ZINC000278388294 1435386400 /nfs/dbraw/zinc/38/64/00/1435386400.db2.gz DPVABUKQODGZKX-QGZVFWFLSA-N 0 1 394.479 3.436 20 0 GGADMN C[C@H](c1cccnc1)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278393690 1435386865 /nfs/dbraw/zinc/38/68/65/1435386865.db2.gz AWCBZTBWPVQWAH-ZBFHGGJFSA-N 0 1 399.495 3.362 20 0 GGADMN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278401065 1435387568 /nfs/dbraw/zinc/38/75/68/1435387568.db2.gz KVOHPBWYRBUAII-RISCZKNCSA-N 0 1 397.445 3.364 20 0 GGADMN CC(C)Oc1cc(O)ccc1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000278401698 1435387823 /nfs/dbraw/zinc/38/78/23/1435387823.db2.gz DNQFFXNIYNCSFD-UHFFFAOYSA-N 0 1 399.472 3.207 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N1CCCCC1 ZINC000278405346 1435388085 /nfs/dbraw/zinc/38/80/85/1435388085.db2.gz GIHJFEMFMADCTP-IBGZPJMESA-N 0 1 383.492 3.072 20 0 GGADMN COc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C2CC2)ccc1OCc1ccncc1 ZINC000278405325 1435388103 /nfs/dbraw/zinc/38/81/03/1435388103.db2.gz GHQZRVSSLQBIFY-UZLBHIALSA-N 0 1 395.503 3.473 20 0 GGADMN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278410271 1435388578 /nfs/dbraw/zinc/38/85/78/1435388578.db2.gz LRUXGYJIEVWHFM-OZVIIMIRSA-N 0 1 395.381 3.363 20 0 GGADMN O=C([C@@H]1COc2ccccc2C1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278442093 1435391238 /nfs/dbraw/zinc/39/12/38/1435391238.db2.gz PKQNGGVGKHXZSN-KBPBESRZSA-N 0 1 379.382 3.386 20 0 GGADMN Cc1cc2ncc(C(=O)N3CCC[C@@H](c4ncc(C(F)(F)F)[nH]4)C3)c(C)n2n1 ZINC000278478991 1435394014 /nfs/dbraw/zinc/39/40/14/1435394014.db2.gz UVMZYPBAYZVUOC-GFCCVEGCSA-N 0 1 392.385 3.108 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CNCc2cnc(-c3ccco3)s2)CC1 ZINC000278480604 1435394097 /nfs/dbraw/zinc/39/40/97/1435394097.db2.gz KQDSJQVRRPSWBT-UHFFFAOYSA-N 0 1 396.516 3.361 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1nc(-c2cccc(F)c2)no1)c1cccs1 ZINC000278483109 1435394237 /nfs/dbraw/zinc/39/42/37/1435394237.db2.gz KIGHFRKKLXTTMX-AWEZNQCLSA-N 0 1 389.456 3.039 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000278490107 1435394566 /nfs/dbraw/zinc/39/45/66/1435394566.db2.gz LYQKSRVYVQIEBK-MRXNPFEDSA-N 0 1 385.533 3.059 20 0 GGADMN COCCn1cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cn1 ZINC000278497282 1435395043 /nfs/dbraw/zinc/39/50/43/1435395043.db2.gz MVVNKKXLUUUYNF-UHFFFAOYSA-N 0 1 399.413 3.224 20 0 GGADMN O=C(c1ccc2nccnc2c1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278500222 1435395282 /nfs/dbraw/zinc/39/52/82/1435395282.db2.gz WQYFBGAKNBLVRO-GFCCVEGCSA-N 0 1 375.354 3.392 20 0 GGADMN O=C(c1ccc2nccnc2c1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278500223 1435395316 /nfs/dbraw/zinc/39/53/16/1435395316.db2.gz WQYFBGAKNBLVRO-LBPRGKRZSA-N 0 1 375.354 3.392 20 0 GGADMN Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000278499465 1435395362 /nfs/dbraw/zinc/39/53/62/1435395362.db2.gz NLDGBDOSVBUYHK-UHFFFAOYSA-N 0 1 396.472 3.011 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278508131 1435395948 /nfs/dbraw/zinc/39/59/48/1435395948.db2.gz MKXXAQOSLFANAE-QZXCRCNTSA-N 0 1 387.501 3.461 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278508133 1435395953 /nfs/dbraw/zinc/39/59/53/1435395953.db2.gz MKXXAQOSLFANAE-RXAIFQJESA-N 0 1 387.501 3.461 20 0 GGADMN O=C([C@@H]1CCCN1C1CC1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000278543429 1435398903 /nfs/dbraw/zinc/39/89/03/1435398903.db2.gz CVTXFQZMFHLJJT-QAPCUYQASA-N 0 1 384.455 3.209 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000278549737 1435399368 /nfs/dbraw/zinc/39/93/68/1435399368.db2.gz UXXGHRUXJFYUNE-CQSZACIVSA-N 0 1 389.496 3.275 20 0 GGADMN CCCCN(C)C(=O)C1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000278590549 1435402999 /nfs/dbraw/zinc/40/29/99/1435402999.db2.gz ZCJBMYICAFQNFQ-UHFFFAOYSA-N 0 1 388.508 3.001 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)n[nH]1 ZINC000278644054 1435409160 /nfs/dbraw/zinc/40/91/60/1435409160.db2.gz GDNLADJFCLZEOX-JTQLQIEISA-N 0 1 389.410 3.490 20 0 GGADMN COC[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000278643882 1435409191 /nfs/dbraw/zinc/40/91/91/1435409191.db2.gz GIYNKWGOJIRXOV-WKPIXPDZSA-N 0 1 394.821 3.469 20 0 GGADMN C[C@@H](NCc1nnnn1CC1CCOCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000278643303 1435409326 /nfs/dbraw/zinc/40/93/26/1435409326.db2.gz HAONISSVLGJRLO-UONOGXRCSA-N 0 1 397.445 3.400 20 0 GGADMN Cc1cc([C@H](C)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(C)o1 ZINC000278646410 1435409422 /nfs/dbraw/zinc/40/94/22/1435409422.db2.gz HVVUFSFIOIZHIY-YJBOKZPZSA-N 0 1 392.521 3.205 20 0 GGADMN COC(=O)c1coc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000278652253 1435410536 /nfs/dbraw/zinc/41/05/36/1435410536.db2.gz IDRGKAJBFZKPIS-CABCVRRESA-N 0 1 389.471 3.369 20 0 GGADMN c1ccc(-c2nc3c(c(NC4CCN(Cc5cccnc5)CC4)n2)CCC3)nc1 ZINC000278655129 1435410707 /nfs/dbraw/zinc/41/07/07/1435410707.db2.gz IRALXMWBLYMBHO-UHFFFAOYSA-N 0 1 386.503 3.499 20 0 GGADMN COC(=O)c1coc([C@H](C)NCCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000278673330 1435412767 /nfs/dbraw/zinc/41/27/67/1435412767.db2.gz JKAMVXBXSHTRIF-NSHDSACASA-N 0 1 380.828 3.408 20 0 GGADMN COc1ccccc1-c1cccc(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000278678381 1435413403 /nfs/dbraw/zinc/41/34/03/1435413403.db2.gz RLVRAGRJKGPWII-IRXDYDNUSA-N 0 1 383.492 3.281 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N(C)CCCCCO)N1CCCCC1 ZINC000278682023 1435413722 /nfs/dbraw/zinc/41/37/22/1435413722.db2.gz BAXASQIVYNDAIF-LJQANCHMSA-N 0 1 377.529 3.026 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C)CCCCCO)N1CCCCC1 ZINC000278682019 1435413847 /nfs/dbraw/zinc/41/38/47/1435413847.db2.gz BAXASQIVYNDAIF-IBGZPJMESA-N 0 1 377.529 3.026 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCSC(C)(C)CC1 ZINC000278723986 1435417579 /nfs/dbraw/zinc/41/75/79/1435417579.db2.gz AEZBPTOTPPGADD-INIZCTEOSA-N 0 1 377.554 3.068 20 0 GGADMN CC(C)c1nnc2ccc(NC(=O)NC3CCN(Cc4ccncc4)CC3)cn21 ZINC000278750999 1435420074 /nfs/dbraw/zinc/42/00/74/1435420074.db2.gz XBGSRZVSQRXOJS-UHFFFAOYSA-N 0 1 393.495 3.034 20 0 GGADMN CN(CCCCCO)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000278792705 1435424113 /nfs/dbraw/zinc/42/41/13/1435424113.db2.gz FADCBBQYLKKSTC-UHFFFAOYSA-N 0 1 375.494 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C)nn2-c2cc(C)ccn2)n[nH]1 ZINC000278800231 1435424707 /nfs/dbraw/zinc/42/47/07/1435424707.db2.gz ZAUDECUHYXQMCW-JSGCOSHPSA-N 0 1 382.472 3.398 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C)nn2-c2cc(C)ccn2)n[nH]1 ZINC000278800234 1435424779 /nfs/dbraw/zinc/42/47/79/1435424779.db2.gz ZAUDECUHYXQMCW-OCCSQVGLSA-N 0 1 382.472 3.398 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)CCCCCO)CC1 ZINC000278818751 1435426700 /nfs/dbraw/zinc/42/67/00/1435426700.db2.gz IYICUAKQWIODLX-UHFFFAOYSA-N 0 1 382.936 3.108 20 0 GGADMN O=C(Nc1nc(C2CCC2)cs1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000278826677 1435427571 /nfs/dbraw/zinc/42/75/71/1435427571.db2.gz HZUHQIXAFZPYDO-KRWDZBQOSA-N 0 1 398.532 3.130 20 0 GGADMN O=C(Nc1nc(C2CCC2)cs1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000278826678 1435427787 /nfs/dbraw/zinc/42/77/87/1435427787.db2.gz HZUHQIXAFZPYDO-QGZVFWFLSA-N 0 1 398.532 3.130 20 0 GGADMN CCN(Cc1ccncc1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278829007 1435428106 /nfs/dbraw/zinc/42/81/06/1435428106.db2.gz YQBSGFOSZBVDJV-MRXNPFEDSA-N 0 1 399.495 3.191 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000278842008 1435430128 /nfs/dbraw/zinc/43/01/28/1435430128.db2.gz LCHYQSDMZFLCRP-AWEZNQCLSA-N 0 1 389.883 3.320 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccnc1SC(F)(F)F ZINC000278858009 1435432067 /nfs/dbraw/zinc/43/20/67/1435432067.db2.gz MVYQAHYWZAZBQP-GFCCVEGCSA-N 0 1 389.443 3.019 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000278891352 1435436109 /nfs/dbraw/zinc/43/61/09/1435436109.db2.gz QJMAKKGGAMPKSM-QGZVFWFLSA-N 0 1 394.519 3.075 20 0 GGADMN CCN(C(=O)c1cc(NC(=O)N[C@H](C)c2nnc[nH]2)ccc1Cl)C(C)C ZINC000278890584 1435436217 /nfs/dbraw/zinc/43/62/17/1435436217.db2.gz ITHOVIRAINCBMF-LLVKDONJSA-N 0 1 378.864 3.211 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(Oc2ccncc2)c1 ZINC000278894878 1435436753 /nfs/dbraw/zinc/43/67/53/1435436753.db2.gz QWYMRULJIWXIOO-QGZVFWFLSA-N 0 1 381.476 3.199 20 0 GGADMN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278894697 1435436794 /nfs/dbraw/zinc/43/67/94/1435436794.db2.gz QUUFMGZYZLJZOS-MRXNPFEDSA-N 0 1 399.560 3.368 20 0 GGADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000278894351 1435436958 /nfs/dbraw/zinc/43/69/58/1435436958.db2.gz OOIPWKFIDVDXOB-GOSISDBHSA-N 0 1 398.532 3.302 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc([C@H]3CCCO3)nn2C)CCN1Cc1ccccc1 ZINC000278896041 1435437004 /nfs/dbraw/zinc/43/70/04/1435437004.db2.gz FKIGOBYQCLQMHF-UYAOXDASSA-N 0 1 397.523 3.400 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000278901339 1435437747 /nfs/dbraw/zinc/43/77/47/1435437747.db2.gz RQEGRDDPAXBIGN-KRWDZBQOSA-N 0 1 387.524 3.118 20 0 GGADMN Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000278913526 1435439153 /nfs/dbraw/zinc/43/91/53/1435439153.db2.gz GSXJWZSBWRJVOI-LJQANCHMSA-N 0 1 383.496 3.011 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000278929700 1435441209 /nfs/dbraw/zinc/44/12/09/1435441209.db2.gz WBGBVWMBRSSDHO-SFHVURJKSA-N 0 1 394.519 3.175 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1c(Cl)nccc1C(F)(F)F ZINC000278935979 1435441992 /nfs/dbraw/zinc/44/19/92/1435441992.db2.gz WZCSPKSIUHJGGM-LLVKDONJSA-N 0 1 391.821 3.079 20 0 GGADMN Cc1c(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)noc1-c1ccccc1F ZINC000278945129 1435443354 /nfs/dbraw/zinc/44/33/54/1435443354.db2.gz LOENDRZWFYJZQK-CYBMUJFWSA-N 0 1 390.459 3.098 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)CCC[C@H](C)c3cccc(OC)c3)C2)CC1 ZINC000278953142 1435444548 /nfs/dbraw/zinc/44/45/48/1435444548.db2.gz JVOPDRLIRALRDB-PZJWPPBQSA-N 0 1 387.568 3.207 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)ccc1OC(C)C ZINC000278966463 1435446542 /nfs/dbraw/zinc/44/65/42/1435446542.db2.gz YUSTZVOOUQLVEC-QGZVFWFLSA-N 0 1 379.482 3.168 20 0 GGADMN Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000278972325 1435447404 /nfs/dbraw/zinc/44/74/04/1435447404.db2.gz LJZGSPSLMVFYFO-IBGZPJMESA-N 0 1 397.523 3.400 20 0 GGADMN CCN(Cc1ccccn1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278984593 1435448675 /nfs/dbraw/zinc/44/86/75/1435448675.db2.gz FAQYJZHRGISMLT-OAHLLOKOSA-N 0 1 399.495 3.191 20 0 GGADMN CN(C)[C@H](CNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000278986431 1435448931 /nfs/dbraw/zinc/44/89/31/1435448931.db2.gz KEDWAWQBQBQFBX-NKELODKYSA-N 0 1 391.531 3.266 20 0 GGADMN O=C(CCc1ccc(=O)[nH]c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000278988932 1435449306 /nfs/dbraw/zinc/44/93/06/1435449306.db2.gz JGGRCGKFLURGNY-QGZVFWFLSA-N 0 1 393.409 3.129 20 0 GGADMN O=C(NCc1nc(-c2ccccc2F)cs1)[C@H]1CCCN1C1CCOCC1 ZINC000278992744 1435449703 /nfs/dbraw/zinc/44/97/03/1435449703.db2.gz QKKHANJQRIWQCP-GOSISDBHSA-N 0 1 389.496 3.209 20 0 GGADMN NC(=O)N1CCc2ccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)cc21 ZINC000278995812 1435450031 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1 394.541 3.102 20 0 GGADMN C[C@@H]1OCC[C@@]12C[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829213 1435547973 /nfs/dbraw/zinc/54/79/73/1435547973.db2.gz QZBUQLGJKXTMCL-BIENJYKASA-N 0 1 377.872 3.201 20 0 GGADMN C[C@@H]1OCC[C@@]12CN(CCc1nc(-c3cccc(Cl)c3)no1)C[C@@H](C)O2 ZINC000279829213 1435547976 /nfs/dbraw/zinc/54/79/76/1435547976.db2.gz QZBUQLGJKXTMCL-BIENJYKASA-N 0 1 377.872 3.201 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1Cl ZINC000279908307 1435561350 /nfs/dbraw/zinc/56/13/50/1435561350.db2.gz HOMMGUQNQYNKHF-GFCCVEGCSA-N 0 1 399.900 3.085 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1Cl ZINC000279908309 1435561405 /nfs/dbraw/zinc/56/14/05/1435561405.db2.gz HOMMGUQNQYNKHF-LBPRGKRZSA-N 0 1 399.900 3.085 20 0 GGADMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000279909049 1435561664 /nfs/dbraw/zinc/56/16/64/1435561664.db2.gz WOMLGVVKQXXJMR-IAGOWNOFSA-N 0 1 385.508 3.445 20 0 GGADMN CCC[C@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)c1nn[nH]n1 ZINC000279919702 1435563252 /nfs/dbraw/zinc/56/32/52/1435563252.db2.gz VYLFLRLOSSVTHI-HNNXBMFYSA-N 0 1 388.472 3.137 20 0 GGADMN CC(C)N(CC(F)F)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279925413 1435564375 /nfs/dbraw/zinc/56/43/75/1435564375.db2.gz QMCCSRVAQCFDLS-LBPRGKRZSA-N 0 1 386.443 3.250 20 0 GGADMN CC(C)N(CC(F)F)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279925410 1435564496 /nfs/dbraw/zinc/56/44/96/1435564496.db2.gz QMCCSRVAQCFDLS-GFCCVEGCSA-N 0 1 386.443 3.250 20 0 GGADMN COc1ccc(N(C#N)CC(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000279942454 1435567131 /nfs/dbraw/zinc/56/71/31/1435567131.db2.gz MJTYCDWUTLGUJU-UHFFFAOYSA-N 0 1 396.516 3.170 20 0 GGADMN Cc1ccccc1-n1nccc1CNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000279961185 1435569899 /nfs/dbraw/zinc/56/98/99/1435569899.db2.gz PMMUBMHIHIPWGC-UHFFFAOYSA-N 0 1 396.516 3.010 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCc3nn(C)cc32)cc1 ZINC000280007170 1435575571 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20 0 GGADMN O=C1CCCN1Cc1cccc(CNCc2ccnn2-c2ccc(F)cc2)c1 ZINC000280042002 1435581650 /nfs/dbraw/zinc/58/16/50/1435581650.db2.gz VKRNKCUZULQKRQ-UHFFFAOYSA-N 0 1 378.451 3.424 20 0 GGADMN O=C(N1CCCc2n[nH]cc21)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000280042967 1435581741 /nfs/dbraw/zinc/58/17/41/1435581741.db2.gz GPANINOKBWPMRJ-GOSISDBHSA-N 0 1 378.398 3.144 20 0 GGADMN Cc1onc(-c2ccccc2C)c1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000280056731 1435584225 /nfs/dbraw/zinc/58/42/25/1435584225.db2.gz HUQZYJWOHDLNMK-UHFFFAOYSA-N 0 1 383.492 3.143 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000280067225 1435586344 /nfs/dbraw/zinc/58/63/44/1435586344.db2.gz BNLFCXDVMSTAMN-INIZCTEOSA-N 0 1 381.398 3.158 20 0 GGADMN C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CCS(=O)(=O)C1 ZINC000280091309 1435590721 /nfs/dbraw/zinc/59/07/21/1435590721.db2.gz SCRQMBXPJTWIIV-QGZVFWFLSA-N 0 1 376.522 3.421 20 0 GGADMN Cc1ccccc1-n1nccc1CNCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000280096066 1435591412 /nfs/dbraw/zinc/59/14/12/1435591412.db2.gz ZMBWSEZAMIQJDD-GOSISDBHSA-N 0 1 377.492 3.091 20 0 GGADMN Cc1ccccc1-n1nccc1CNCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000280096071 1435591564 /nfs/dbraw/zinc/59/15/64/1435591564.db2.gz ZMBWSEZAMIQJDD-SFHVURJKSA-N 0 1 377.492 3.091 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000280122064 1435595655 /nfs/dbraw/zinc/59/56/55/1435595655.db2.gz UPAWLTPVAYEVFX-INIZCTEOSA-N 0 1 398.511 3.008 20 0 GGADMN Cc1nc2cc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000280126451 1435596242 /nfs/dbraw/zinc/59/62/42/1435596242.db2.gz UYJWISBXSXTBKT-LJQANCHMSA-N 0 1 379.460 3.157 20 0 GGADMN CC(C)COc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 ZINC000280136733 1435597842 /nfs/dbraw/zinc/59/78/42/1435597842.db2.gz QQRXKGITAXCYKD-OAHLLOKOSA-N 0 1 393.509 3.150 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(N3CCOCC3)c2)s1 ZINC000280134107 1435597882 /nfs/dbraw/zinc/59/78/82/1435597882.db2.gz PEEFWMZTNMKXRU-OAHLLOKOSA-N 0 1 394.562 3.229 20 0 GGADMN CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280155798 1435600753 /nfs/dbraw/zinc/60/07/53/1435600753.db2.gz AOWNPVLCTGZMQK-CVEARBPZSA-N 0 1 396.944 3.100 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc4cnccc43)cn2)C[C@@H](C)O1 ZINC000280164767 1435602098 /nfs/dbraw/zinc/60/20/98/1435602098.db2.gz BGEGUECULXRAJP-HUUCEWRRSA-N 0 1 398.488 3.044 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2cc([C@H]3CCCOC3)nn2C)C[N@H+]1Cc1ccccc1 ZINC000280164601 1435602313 /nfs/dbraw/zinc/60/23/13/1435602313.db2.gz NOENOUHWTUUMDN-NEWSRXKRSA-N 0 1 397.523 3.099 20 0 GGADMN COc1ccc([C@H](C)[C@@H](C)N[C@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000280222553 1435612075 /nfs/dbraw/zinc/61/20/75/1435612075.db2.gz IYGDINJHJKYILX-CPUCHLNUSA-N 0 1 375.490 3.314 20 0 GGADMN CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000280272077 1435622578 /nfs/dbraw/zinc/62/25/78/1435622578.db2.gz CWQHCMXOEAGTLZ-NRFANRHFSA-N 0 1 391.581 3.065 20 0 GGADMN Cc1ccc([C@H]2CCN(CC(=O)Nc3ccccc3SCC(N)=O)C2)c(C)c1 ZINC000280275372 1435624189 /nfs/dbraw/zinc/62/41/89/1435624189.db2.gz DFWVESBPDWLMTE-KRWDZBQOSA-N 0 1 397.544 3.309 20 0 GGADMN COc1ccc(F)c2[nH]c(C(=O)NC3CCN(Cc4cccnc4)CC3)cc21 ZINC000280283212 1435625776 /nfs/dbraw/zinc/62/57/76/1435625776.db2.gz WOUVEJCKKSEAAU-UHFFFAOYSA-N 0 1 382.439 3.105 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(CC1CCC1)[C@H](C)CO ZINC000280314828 1435633122 /nfs/dbraw/zinc/63/31/22/1435633122.db2.gz GOTHQBFWXYZANE-MRXNPFEDSA-N 0 1 384.524 3.219 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)n[nH]1 ZINC000280360645 1435644326 /nfs/dbraw/zinc/64/43/26/1435644326.db2.gz VJKWWXWDDZCSKS-NSHDSACASA-N 0 1 385.399 3.143 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)n[nH]1 ZINC000280360641 1435644356 /nfs/dbraw/zinc/64/43/56/1435644356.db2.gz VJKWWXWDDZCSKS-LLVKDONJSA-N 0 1 385.399 3.143 20 0 GGADMN COc1ccccc1-n1nccc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000280387796 1435650943 /nfs/dbraw/zinc/65/09/43/1435650943.db2.gz AIJLLIPKXIKSNI-UHFFFAOYSA-N 0 1 392.507 3.188 20 0 GGADMN CC[C@H](NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280399080 1435653351 /nfs/dbraw/zinc/65/33/51/1435653351.db2.gz XNZMAYBNQDSNPL-HNNXBMFYSA-N 0 1 396.896 3.218 20 0 GGADMN CC[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280399084 1435653451 /nfs/dbraw/zinc/65/34/51/1435653451.db2.gz XNZMAYBNQDSNPL-OAHLLOKOSA-N 0 1 396.896 3.218 20 0 GGADMN Cc1ccccc1-n1nccc1CNc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000280429769 1435659559 /nfs/dbraw/zinc/65/95/59/1435659559.db2.gz ZQTGMIJOIULHFJ-QFIPXVFZSA-N 0 1 389.503 3.243 20 0 GGADMN CCn1ccnc1[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000280457911 1435664118 /nfs/dbraw/zinc/66/41/18/1435664118.db2.gz WNCMOQWYFRAIGU-HXUWFJFHSA-N 0 1 396.539 3.199 20 0 GGADMN C[C@H](c1nc(-c2cccnc2)no1)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000280499956 1435670140 /nfs/dbraw/zinc/67/01/40/1435670140.db2.gz BEFAZLDYWVQCNE-WBVHZDCISA-N 0 1 377.448 3.178 20 0 GGADMN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000280503245 1435670548 /nfs/dbraw/zinc/67/05/48/1435670548.db2.gz AEOXPNOUDVVPPN-KRWDZBQOSA-N 0 1 381.484 3.011 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)n[nH]1 ZINC000280522114 1435673045 /nfs/dbraw/zinc/67/30/45/1435673045.db2.gz ODOHURQYLPXTIE-RYUDHWBXSA-N 0 1 388.472 3.087 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000280539291 1435676054 /nfs/dbraw/zinc/67/60/54/1435676054.db2.gz VCMPZJBMTSNDEM-RHSMWYFYSA-N 0 1 380.423 3.401 20 0 GGADMN CO[C@@]1(C)CCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000280557729 1435679544 /nfs/dbraw/zinc/67/95/44/1435679544.db2.gz QXDCRDARWHMPNQ-QFIPXVFZSA-N 0 1 387.524 3.189 20 0 GGADMN Cc1ccc([C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2ccccn2)cc1 ZINC000280559243 1435679779 /nfs/dbraw/zinc/67/97/79/1435679779.db2.gz LMDJJKZDJMZKRK-DLBZAZTESA-N 0 1 393.409 3.299 20 0 GGADMN Cc1cccc(CC2(O)CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC000280561787 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GGADMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000280606122 1435688310 /nfs/dbraw/zinc/68/83/10/1435688310.db2.gz JSNXBGMBHKQPBJ-MRXNPFEDSA-N 0 1 378.398 3.102 20 0 GGADMN CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(C(F)(F)F)n1 ZINC000280607856 1435688663 /nfs/dbraw/zinc/68/86/63/1435688663.db2.gz QDBKIJYTWSLDOZ-OAHLLOKOSA-N 0 1 380.414 3.316 20 0 GGADMN CCc1ccc(-c2noc([C@H](C)N[C@H](C)C3CCS(=O)(=O)CC3)n2)cc1 ZINC000280623332 1435692041 /nfs/dbraw/zinc/69/20/41/1435692041.db2.gz PSPLSCPYBVDDHH-KGLIPLIRSA-N 0 1 377.510 3.163 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C[C@@]2(CCOC2)O1 ZINC000280629252 1435693224 /nfs/dbraw/zinc/69/32/24/1435693224.db2.gz SKFRWBITANAZPL-YADARESESA-N 0 1 394.515 3.339 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280645362 1435697142 /nfs/dbraw/zinc/69/71/42/1435697142.db2.gz UDURDKZTWMQIOR-AWEZNQCLSA-N 0 1 390.793 3.040 20 0 GGADMN CSc1n[nH]c(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)n1 ZINC000280657596 1435699340 /nfs/dbraw/zinc/69/93/40/1435699340.db2.gz OGEFQTLOLZCXBY-UHFFFAOYSA-N 0 1 377.470 3.445 20 0 GGADMN Cc1cc(-c2noc([C@H](C)N[C@H](C)C3CCS(=O)(=O)CC3)n2)ccc1F ZINC000280672770 1435701410 /nfs/dbraw/zinc/70/14/10/1435701410.db2.gz UKBRDJLWQGTZLA-OLZOCXBDSA-N 0 1 381.473 3.048 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2c[nH]nc2-c2ccc(OC)cc2)s1 ZINC000280686998 1435703844 /nfs/dbraw/zinc/70/38/44/1435703844.db2.gz VJCMRIMBSNPFRE-UHFFFAOYSA-N 0 1 391.518 3.230 20 0 GGADMN C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)C[C@H](C)O1 ZINC000280719550 1435709241 /nfs/dbraw/zinc/70/92/41/1435709241.db2.gz CAFMTZLFTBFRIY-OKILXGFUSA-N 0 1 382.451 3.022 20 0 GGADMN C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)C[C@H](C)O1 ZINC000280719550 1435709243 /nfs/dbraw/zinc/70/92/43/1435709243.db2.gz CAFMTZLFTBFRIY-OKILXGFUSA-N 0 1 382.451 3.022 20 0 GGADMN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000280729031 1435710743 /nfs/dbraw/zinc/71/07/43/1435710743.db2.gz IJDNDHNZARFMRJ-HNNXBMFYSA-N 0 1 383.477 3.208 20 0 GGADMN CCc1onc(-c2ccccc2)c1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000280736479 1435712082 /nfs/dbraw/zinc/71/20/82/1435712082.db2.gz JPVCIWPXZXPOEB-MRXNPFEDSA-N 0 1 383.492 3.229 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000280735120 1435712156 /nfs/dbraw/zinc/71/21/56/1435712156.db2.gz VRWYRXSXOSWRSP-UHFFFAOYSA-N 0 1 393.491 3.128 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)Nc2ccccc2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280788717 1435720575 /nfs/dbraw/zinc/72/05/75/1435720575.db2.gz JGYTUWPTONWRBD-UTKZUKDTSA-N 0 1 388.533 3.396 20 0 GGADMN Cc1cc[nH]c1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000280789782 1435721050 /nfs/dbraw/zinc/72/10/50/1435721050.db2.gz QKKZCUPNLIRVHE-UHFFFAOYSA-N 0 1 375.476 3.293 20 0 GGADMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793432 1435721329 /nfs/dbraw/zinc/72/13/29/1435721329.db2.gz HSPMMJOQGDCDSR-RISCZKNCSA-N 0 1 399.948 3.292 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)Nc2ccccc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280822650 1435726133 /nfs/dbraw/zinc/72/61/33/1435726133.db2.gz NQCXEYKELMAFQA-FOIQADDNSA-N 0 1 392.496 3.227 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)Nc2ccccc2F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280822657 1435726628 /nfs/dbraw/zinc/72/66/28/1435726628.db2.gz NQCXEYKELMAFQA-QRWLVFNGSA-N 0 1 392.496 3.227 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cc2=O)cc1 ZINC000280856053 1435731584 /nfs/dbraw/zinc/73/15/84/1435731584.db2.gz CHMXHJQENAKSNT-LJQANCHMSA-N 0 1 382.508 3.001 20 0 GGADMN COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1OCCO ZINC000280876634 1435734504 /nfs/dbraw/zinc/73/45/04/1435734504.db2.gz CBVAXJPHFAITKP-GOSISDBHSA-N 0 1 395.459 3.228 20 0 GGADMN COc1ccccc1-n1nccc1CNCc1cc(OC)c(OC)c(OC)c1 ZINC000280876591 1435734590 /nfs/dbraw/zinc/73/45/90/1435734590.db2.gz DVHBFYNYZZSYTG-UHFFFAOYSA-N 0 1 383.448 3.197 20 0 GGADMN COc1ccccc1-n1nccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000280881679 1435735749 /nfs/dbraw/zinc/73/57/49/1435735749.db2.gz CSJQVNDWFLBMAY-FQEVSTJZSA-N 0 1 385.508 3.431 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC1CCN(c2nccs2)CC1)c1ccco1 ZINC000280911700 1435740803 /nfs/dbraw/zinc/74/08/03/1435740803.db2.gz CLBSDCLNDFESEV-MRXNPFEDSA-N 0 1 391.541 3.087 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NCCN2CC=CCC2)c2ccc(F)cc2)c1 ZINC000280913896 1435741116 /nfs/dbraw/zinc/74/11/16/1435741116.db2.gz GSUKGLROXMAUFD-OAQYLSRUSA-N 0 1 388.508 3.170 20 0 GGADMN CN(C(=O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)c1ccccc1 ZINC000280924435 1435742676 /nfs/dbraw/zinc/74/26/76/1435742676.db2.gz XSKXJYHQGIZXKA-AWEZNQCLSA-N 0 1 380.473 3.263 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@](C)(O)CC1)N1CCCCC1 ZINC000280925680 1435742710 /nfs/dbraw/zinc/74/27/10/1435742710.db2.gz VNKNFKCQSRVGHZ-DENIHFKCSA-N 0 1 389.540 3.169 20 0 GGADMN CN(C(=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1)c1ccccc1 ZINC000280924437 1435742802 /nfs/dbraw/zinc/74/28/02/1435742802.db2.gz XSKXJYHQGIZXKA-CQSZACIVSA-N 0 1 380.473 3.263 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2c2ccnn2C)N2CCCC2)o1 ZINC000280942553 1435745359 /nfs/dbraw/zinc/74/53/59/1435745359.db2.gz FSYJPHOZUKGZEK-RBUKOAKNSA-N 0 1 385.512 3.395 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2c2ccnn2C)N2CCCC2)o1 ZINC000280942549 1435745474 /nfs/dbraw/zinc/74/54/74/1435745474.db2.gz FSYJPHOZUKGZEK-MOPGFXCFSA-N 0 1 385.512 3.395 20 0 GGADMN Cc1ccc([C@@H](NCCC(=O)Nc2cccc(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280951811 1435746929 /nfs/dbraw/zinc/74/69/29/1435746929.db2.gz XQAVPCOHFVNXHA-YWZLYKJASA-N 0 1 392.496 3.227 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1)c1ccsc1 ZINC000280954833 1435747127 /nfs/dbraw/zinc/74/71/27/1435747127.db2.gz IBYSDSFHFOLGHT-MRXNPFEDSA-N 0 1 392.456 3.268 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000280961603 1435748356 /nfs/dbraw/zinc/74/83/56/1435748356.db2.gz JTRZLRXEHAGUPH-SMMRIJLZSA-N 0 1 390.524 3.294 20 0 GGADMN C[C@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)C(=O)N1CCCC1 ZINC000280977210 1435750295 /nfs/dbraw/zinc/75/02/95/1435750295.db2.gz AYABHQXXSMIDJD-SFHVURJKSA-N 0 1 379.504 3.059 20 0 GGADMN CN1C(=O)CCc2cc(CNCc3ccncc3OCC(F)(F)F)ccc21 ZINC000280984442 1435751488 /nfs/dbraw/zinc/75/14/88/1435751488.db2.gz AFCKIZDSJTVVEV-UHFFFAOYSA-N 0 1 379.382 3.222 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000280990657 1435752406 /nfs/dbraw/zinc/75/24/06/1435752406.db2.gz KWCJDHXOMHVDKX-QFYYESIMSA-N 0 1 390.789 3.484 20 0 GGADMN CCOC(=O)[C@H](CCOC)NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000281027331 1435759011 /nfs/dbraw/zinc/75/90/11/1435759011.db2.gz BPHOYCCWIZLRRB-NRFANRHFSA-N 0 1 398.503 3.017 20 0 GGADMN COc1ccccc1-n1nccc1CN1CCC(CN2CCCCC2=O)CC1 ZINC000281038523 1435761370 /nfs/dbraw/zinc/76/13/70/1435761370.db2.gz GPSPCGKKCZJLNN-UHFFFAOYSA-N 0 1 382.508 3.105 20 0 GGADMN Cc1noc(C2CC[NH+](Cc3cc(=O)oc4cc([O-])c(Cl)cc34)CC2)n1 ZINC000281047431 1435763242 /nfs/dbraw/zinc/76/32/42/1435763242.db2.gz QOMKYPRZXBUGOY-UHFFFAOYSA-N 0 1 375.812 3.223 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000281086356 1435771484 /nfs/dbraw/zinc/77/14/84/1435771484.db2.gz UYEUZKXCBOSPGW-FPSMNIFISA-N 0 1 379.570 3.322 20 0 GGADMN Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281111740 1435776380 /nfs/dbraw/zinc/77/63/80/1435776380.db2.gz BJBNQFUUKSPHTL-UHFFFAOYSA-N 0 1 380.414 3.276 20 0 GGADMN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc4cn[nH]c4cc3C)C2)c1 ZINC000281111473 1435776884 /nfs/dbraw/zinc/77/68/84/1435776884.db2.gz DWWGQHJIFVEPEE-LJQANCHMSA-N 0 1 380.404 3.020 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cnc(C)nc2C2CC2)N2CCCC2)cc1 ZINC000281114044 1435776974 /nfs/dbraw/zinc/77/69/74/1435776974.db2.gz XJBUHEQNRPIXFB-HXUWFJFHSA-N 0 1 380.492 3.238 20 0 GGADMN Cc1cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000281150301 1435784741 /nfs/dbraw/zinc/78/47/41/1435784741.db2.gz FKEVJSXHNRTRMV-QUCCMNQESA-N 0 1 381.476 3.208 20 0 GGADMN CC1(C)OCc2cc(C[NH+]3CCC(C[N-]C(=O)C(F)(F)F)CC3)ccc2O1 ZINC000281167108 1435787961 /nfs/dbraw/zinc/78/79/61/1435787961.db2.gz GQQMQYHNMYBXOK-UHFFFAOYSA-N 0 1 386.414 3.222 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccnn2-c2ccccc2)c1 ZINC000281190637 1435793466 /nfs/dbraw/zinc/79/34/66/1435793466.db2.gz JNISYASXVOJLDX-KRWDZBQOSA-N 0 1 378.476 3.238 20 0 GGADMN CCc1ccc2c(C[NH+]3CCC(C[N-]C(=O)C(F)(F)F)CC3)cc(=O)oc2c1 ZINC000281199753 1435794958 /nfs/dbraw/zinc/79/49/58/1435794958.db2.gz CIRKMBKPGOOZHB-UHFFFAOYSA-N 0 1 396.409 3.246 20 0 GGADMN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000281247948 1435800738 /nfs/dbraw/zinc/80/07/38/1435800738.db2.gz NSPUHUVGHOWSGT-UHFFFAOYSA-N 0 1 391.519 3.307 20 0 GGADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281263295 1435801441 /nfs/dbraw/zinc/80/14/41/1435801441.db2.gz VMJCFHHWVZLKAL-CVEARBPZSA-N 0 1 376.460 3.119 20 0 GGADMN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000281287848 1435802511 /nfs/dbraw/zinc/80/25/11/1435802511.db2.gz WMQCLPVENYFKBH-MGPLVRAMSA-N 0 1 391.821 3.144 20 0 GGADMN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000281287841 1435802537 /nfs/dbraw/zinc/80/25/37/1435802537.db2.gz WMQCLPVENYFKBH-HWPZZCPQSA-N 0 1 391.821 3.144 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NCc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281287478 1435802554 /nfs/dbraw/zinc/80/25/54/1435802554.db2.gz MMTAUBCAFRKZKR-LJQANCHMSA-N 0 1 393.553 3.184 20 0 GGADMN CN(CCCOCc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000281296155 1435802913 /nfs/dbraw/zinc/80/29/13/1435802913.db2.gz SYYZVDBUQOKKHC-UHFFFAOYSA-N 0 1 396.535 3.294 20 0 GGADMN O=C([N-]CC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1)C(F)(F)F ZINC000281299124 1435803023 /nfs/dbraw/zinc/80/30/23/1435803023.db2.gz POUBRNWSWOTZQY-UHFFFAOYSA-N 0 1 384.320 3.318 20 0 GGADMN COc1cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1OC(F)F ZINC000281306512 1435803265 /nfs/dbraw/zinc/80/32/65/1435803265.db2.gz QCJTXVNPWOMYFY-UHFFFAOYSA-N 0 1 396.356 3.187 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2NC(C)(C)C)n[nH]1 ZINC000281322125 1435803791 /nfs/dbraw/zinc/80/37/91/1435803791.db2.gz BAWBSUDFUUSSAJ-OLZOCXBDSA-N 0 1 386.500 3.345 20 0 GGADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281320828 1435803815 /nfs/dbraw/zinc/80/38/15/1435803815.db2.gz PENYDHQHMYGRQL-FQEVSTJZSA-N 0 1 391.581 3.306 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C)c1cc2ccccc2o1 ZINC000281334418 1435804216 /nfs/dbraw/zinc/80/42/16/1435804216.db2.gz QEUMCBZDVFBEBY-CQSZACIVSA-N 0 1 375.494 3.142 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000281334694 1435804305 /nfs/dbraw/zinc/80/43/05/1435804305.db2.gz QHFZQYNRDVIIST-UHFFFAOYSA-N 0 1 395.956 3.367 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccnn1-c1ccccc1 ZINC000281337837 1435804408 /nfs/dbraw/zinc/80/44/08/1435804408.db2.gz UKWSCJGVANEZQY-ROUUACIJSA-N 0 1 377.492 3.343 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000281367109 1435805878 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Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281404505 1435807486 /nfs/dbraw/zinc/80/74/86/1435807486.db2.gz XSEWJJAGYPYMQK-APWZRJJASA-N 0 1 388.899 3.132 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@](C)(c2ccccc2)C1 ZINC000281413495 1435807898 /nfs/dbraw/zinc/80/78/98/1435807898.db2.gz XKRLPVVUFPZHMW-NRFANRHFSA-N 0 1 389.565 3.098 20 0 GGADMN Cc1nn(C(C)C)cc1CNCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000281415892 1435808050 /nfs/dbraw/zinc/80/80/50/1435808050.db2.gz QNNBLZQHKZRDED-UHFFFAOYSA-N 0 1 390.553 3.237 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000281425706 1435808377 /nfs/dbraw/zinc/80/83/77/1435808377.db2.gz YKNIKKVUBFXEEZ-HNNXBMFYSA-N 0 1 393.553 3.183 20 0 GGADMN C[C@@H](NCc1ccncc1OCC(F)(F)F)c1ccc(-n2cncn2)cc1 ZINC000281427751 1435808429 /nfs/dbraw/zinc/80/84/29/1435808429.db2.gz CATRESBPRJPDMR-CYBMUJFWSA-N 0 1 377.370 3.454 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4C(N)=O)C3)[nH]c2c1 ZINC000281428430 1435808542 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3.330 20 0 GGADMN COCCn1cc(CN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)cn1 ZINC000282442391 1435847350 /nfs/dbraw/zinc/84/73/50/1435847350.db2.gz DZGXISHYURQRIX-MOPGFXCFSA-N 0 1 386.496 3.330 20 0 GGADMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H](c2ccncc2)C1 ZINC000282449830 1435847645 /nfs/dbraw/zinc/84/76/45/1435847645.db2.gz SITMIRMVYZDJPC-GOSISDBHSA-N 0 1 397.479 3.116 20 0 GGADMN C[C@@](O)(CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)C(F)(F)F ZINC000282477013 1435848596 /nfs/dbraw/zinc/84/85/96/1435848596.db2.gz LFNWYWZCEHOCRV-CYBMUJFWSA-N 0 1 387.320 3.182 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000282529706 1435850252 /nfs/dbraw/zinc/85/02/52/1435850252.db2.gz WBWMJFBNRGQYAN-GDBMZVCRSA-N 0 1 391.516 3.124 20 0 GGADMN CC(=O)Nc1nc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cs1 ZINC000282560281 1435851528 /nfs/dbraw/zinc/85/15/28/1435851528.db2.gz UEYAMXZLOUYYAF-CQSZACIVSA-N 0 1 382.530 3.227 20 0 GGADMN COc1ccc(CNCCS(=O)(=O)CCc2ccccc2)cc1OC(F)F ZINC000282575419 1435852285 /nfs/dbraw/zinc/85/22/85/1435852285.db2.gz FRJXGUHITVHHQY-UHFFFAOYSA-N 0 1 399.459 3.044 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282582943 1435852518 /nfs/dbraw/zinc/85/25/18/1435852518.db2.gz UZDUDJACWLQFLY-SFHVURJKSA-N 0 1 375.513 3.360 20 0 GGADMN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCF ZINC000282594228 1435852935 /nfs/dbraw/zinc/85/29/35/1435852935.db2.gz GZFPIZRSYVOGJX-CYBMUJFWSA-N 0 1 377.847 3.156 20 0 GGADMN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCF ZINC000282594230 1435853001 /nfs/dbraw/zinc/85/30/01/1435853001.db2.gz GZFPIZRSYVOGJX-ZDUSSCGKSA-N 0 1 377.847 3.156 20 0 GGADMN Cc1nn(C(C)(C)C)c(C)c1CNCCS(=O)(=O)CCc1ccccc1 ZINC000282596499 1435853062 /nfs/dbraw/zinc/85/30/62/1435853062.db2.gz HGAFXSMYWMWXSA-UHFFFAOYSA-N 0 1 377.554 3.002 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(CN2CCCC2=O)cc1 ZINC000282615721 1435853761 /nfs/dbraw/zinc/85/37/61/1435853761.db2.gz JAFRUZAPUJCQFW-UHFFFAOYSA-N 0 1 389.503 3.296 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000282651325 1435855148 /nfs/dbraw/zinc/85/51/48/1435855148.db2.gz DQBRIMBIEPAGPS-FQEVSTJZSA-N 0 1 386.540 3.218 20 0 GGADMN CCOc1ccc(NC(=O)CNCc2c(C)nn(-c3ccccn3)c2C)cc1 ZINC000282653052 1435855316 /nfs/dbraw/zinc/85/53/16/1435855316.db2.gz MCHINOVBRZPLIG-UHFFFAOYSA-N 0 1 379.464 3.011 20 0 GGADMN Cn1cc(Oc2ccccc2C(=O)NC2CCN(Cc3ccccn3)CC2)cn1 ZINC000282663402 1435855631 /nfs/dbraw/zinc/85/56/31/1435855631.db2.gz IGSXYENAMLWITI-UHFFFAOYSA-N 0 1 391.475 3.002 20 0 GGADMN CC(C)(COCc1ccccc1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000282677677 1435856082 /nfs/dbraw/zinc/85/60/82/1435856082.db2.gz IAKYMCRGSHLHQM-UHFFFAOYSA-N 0 1 394.475 3.243 20 0 GGADMN CCOC(=O)[C@@H]1CC[C@H](NCc2cccnc2OCCOC)c2ccccc21 ZINC000282681485 1435856263 /nfs/dbraw/zinc/85/62/63/1435856263.db2.gz AACOCZOUODLOMQ-UXHICEINSA-N 0 1 384.476 3.378 20 0 GGADMN COCCOc1ccc(CN[C@@H](Cn2ccccc2=O)c2ccccc2)cc1 ZINC000282700966 1435856974 /nfs/dbraw/zinc/85/69/74/1435856974.db2.gz OWCXSUIKKHCQKP-QFIPXVFZSA-N 0 1 378.472 3.405 20 0 GGADMN COCCn1cc(CN[C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)cn1 ZINC000282704887 1435857159 /nfs/dbraw/zinc/85/71/59/1435857159.db2.gz LBAKKAYSUMMZFG-LPHOPBHVSA-N 0 1 391.487 3.467 20 0 GGADMN COCCn1cc(CN[C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cn1 ZINC000282704891 1435857174 /nfs/dbraw/zinc/85/71/74/1435857174.db2.gz LBAKKAYSUMMZFG-QFBILLFUSA-N 0 1 391.487 3.467 20 0 GGADMN C[N@H+]1CCN(CCNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1(C)C ZINC000282708029 1435857263 /nfs/dbraw/zinc/85/72/63/1435857263.db2.gz MYTNVLDBVKBRRG-UHFFFAOYSA-N 0 1 390.862 3.089 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000282714067 1435857530 /nfs/dbraw/zinc/85/75/30/1435857530.db2.gz BQFYNECYEKFLFC-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN CC(C)c1cnc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)s1 ZINC000282724091 1435857966 /nfs/dbraw/zinc/85/79/66/1435857966.db2.gz CRVASJFAPWBDRD-AWEZNQCLSA-N 0 1 394.928 3.278 20 0 GGADMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000282728982 1435858160 /nfs/dbraw/zinc/85/81/60/1435858160.db2.gz IGUNVXFDYYREKE-HBFSDRIKSA-N 0 1 395.507 3.180 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1ccnc(OC2CCOCC2)c1 ZINC000282766244 1435859565 /nfs/dbraw/zinc/85/95/65/1435859565.db2.gz WMUZOLGDPYNEDC-UHFFFAOYSA-N 0 1 393.491 3.127 20 0 GGADMN CC(C)(C)[S@@](=O)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282787563 1435860291 /nfs/dbraw/zinc/86/02/91/1435860291.db2.gz PJDAPKVNXLTMNT-CLYVBNDRSA-N 0 1 393.597 3.134 20 0 GGADMN CC(C)(C)[S@@](=O)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282787563 1435860292 /nfs/dbraw/zinc/86/02/92/1435860292.db2.gz PJDAPKVNXLTMNT-CLYVBNDRSA-N 0 1 393.597 3.134 20 0 GGADMN O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@H]1CCCN1Cc1ccccc1 ZINC000282801448 1435860843 /nfs/dbraw/zinc/86/08/43/1435860843.db2.gz MTYZTGWETVIUSG-NHCUHLMSSA-N 0 1 392.503 3.074 20 0 GGADMN O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)[C@H]1CCCN1Cc1ccccc1 ZINC000282801446 1435860878 /nfs/dbraw/zinc/86/08/78/1435860878.db2.gz MTYZTGWETVIUSG-LEWJYISDSA-N 0 1 392.503 3.074 20 0 GGADMN Cc1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1Oc1cccnc1 ZINC000282811761 1435861237 /nfs/dbraw/zinc/86/12/37/1435861237.db2.gz UJPLNVIJDSLQJB-UHFFFAOYSA-N 0 1 397.523 3.330 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CCc5cnn(C)c5C4)C3)[nH]c2c1 ZINC000282818659 1435861643 /nfs/dbraw/zinc/86/16/43/1435861643.db2.gz RNHVPEWHDGVLDC-DOTOQJQBSA-N 0 1 377.492 3.116 20 0 GGADMN COC(=O)[C@]1(C)CN(Cc2csc(-c3cccc(OC)c3OC)n2)C[C@H]1C ZINC000282824071 1435861683 /nfs/dbraw/zinc/86/16/83/1435861683.db2.gz RYLKSZRJZHTBOI-ZUOKHONESA-N 0 1 390.505 3.458 20 0 GGADMN COCCCn1nccc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000282854993 1435863126 /nfs/dbraw/zinc/86/31/26/1435863126.db2.gz TYYYLMNGWPHJCW-UHFFFAOYSA-N 0 1 380.496 3.084 20 0 GGADMN CC(C)COc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000282890185 1435864788 /nfs/dbraw/zinc/86/47/88/1435864788.db2.gz DKISKORCBPWVMZ-GOSISDBHSA-N 0 1 375.513 3.298 20 0 GGADMN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282899943 1435865250 /nfs/dbraw/zinc/86/52/50/1435865250.db2.gz XYDPTIOZUHUYJD-DGCLKSJQSA-N 0 1 396.417 3.129 20 0 GGADMN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282899946 1435865321 /nfs/dbraw/zinc/86/53/21/1435865321.db2.gz XYDPTIOZUHUYJD-WCQYABFASA-N 0 1 396.417 3.129 20 0 GGADMN Cc1cccc(-c2nnc(N3CCN(C4CCC4)CC3)n2Cc2cccs2)n1 ZINC000282906028 1435865536 /nfs/dbraw/zinc/86/55/36/1435865536.db2.gz GNESLRZBGPNSEY-UHFFFAOYSA-N 0 1 394.548 3.433 20 0 GGADMN Cc1cc(C)cc([C@@H](O)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000282927765 1435866442 /nfs/dbraw/zinc/86/64/42/1435866442.db2.gz ZRJWKKATNDTCHE-AVRDEDQJSA-N 0 1 396.535 3.257 20 0 GGADMN Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1C1CC1 ZINC000282935283 1435866665 /nfs/dbraw/zinc/86/66/65/1435866665.db2.gz GDZSIDGKFNAKDO-MRXNPFEDSA-N 0 1 385.533 3.195 20 0 GGADMN Cc1cc(=O)c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1C1CC1 ZINC000282935283 1435866666 /nfs/dbraw/zinc/86/66/66/1435866666.db2.gz GDZSIDGKFNAKDO-MRXNPFEDSA-N 0 1 385.533 3.195 20 0 GGADMN COc1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(OC)c1OC ZINC000282953498 1435867406 /nfs/dbraw/zinc/86/74/06/1435867406.db2.gz JWYXQPDNJYMWEX-QGZVFWFLSA-N 0 1 385.464 3.108 20 0 GGADMN COc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1OC(C)C ZINC000282996083 1435869381 /nfs/dbraw/zinc/86/93/81/1435869381.db2.gz CQKFCEXZYYFCCT-QGZVFWFLSA-N 0 1 391.512 3.059 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CC[C@@H](OC)C[C@@H]2C)N2CCCC2)c1 ZINC000282993950 1435869431 /nfs/dbraw/zinc/86/94/31/1435869431.db2.gz LOBJTIZDPGYIJV-DBVUQKKJSA-N 0 1 375.513 3.041 20 0 GGADMN O=C(c1ccccc1)N1CC[C@@H](CN2CCN(Cc3ccc(Cl)nc3)CC2)C1 ZINC000282994378 1435869448 /nfs/dbraw/zinc/86/94/48/1435869448.db2.gz FECZYVPAQFKTEA-IBGZPJMESA-N 0 1 398.938 3.015 20 0 GGADMN CN(C(=O)N(CC[N@@H+](CCC(=O)[O-])Cc1ccccc1)C1CC1)C1CCCC1 ZINC000283046034 1435871976 /nfs/dbraw/zinc/87/19/76/1435871976.db2.gz RSCDOQZLYBJVMN-UHFFFAOYSA-N 0 1 387.524 3.422 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](OC)C[C@H]2C)N2CCCCC2)cc1 ZINC000283069188 1435873075 /nfs/dbraw/zinc/87/30/75/1435873075.db2.gz SQDSRHQSVGBWOE-QMMLZNLJSA-N 0 1 389.540 3.431 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccccc1S[C@H](C)C(N)=O)c1ccco1 ZINC000283079990 1435873497 /nfs/dbraw/zinc/87/34/97/1435873497.db2.gz DODVSAAULMDNKS-ZBFHGGJFSA-N 0 1 389.521 3.058 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ncnn3C(C)(C)C)[nH]c2c1 ZINC000283095878 1435874285 /nfs/dbraw/zinc/87/42/85/1435874285.db2.gz IMZWGCYXGNHJBQ-INIZCTEOSA-N 0 1 381.484 3.265 20 0 GGADMN Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283105268 1435874692 /nfs/dbraw/zinc/87/46/92/1435874692.db2.gz PPENQBAAGPEGDR-UHFFFAOYSA-N 0 1 399.545 3.128 20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000283174715 1435877884 /nfs/dbraw/zinc/87/78/84/1435877884.db2.gz XNJQHHVFXOUJEF-KRWDZBQOSA-N 0 1 397.306 3.201 20 0 GGADMN C[C@@H](NC(=O)CN1CCC2(C[C@H]2N(C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217634 1435879782 /nfs/dbraw/zinc/87/97/82/1435879782.db2.gz SCUXVVQQOAKYOU-IEBWSBKVSA-N 0 1 398.576 3.307 20 0 GGADMN CC(C)c1noc(Cc2ccc(NC(=O)N3CCN(CC4CC4)CC3)cc2)n1 ZINC000283238617 1435880618 /nfs/dbraw/zinc/88/06/18/1435880618.db2.gz TZTQJFLGQSYCBR-UHFFFAOYSA-N 0 1 383.496 3.343 20 0 GGADMN CC(C)(C)c1csc([C@H]2CN(C(=O)c3cc(F)cc4nn[nH]c43)CCO2)n1 ZINC000283244797 1435880897 /nfs/dbraw/zinc/88/08/97/1435880897.db2.gz UZGDUNSGMFHPKH-CYBMUJFWSA-N 0 1 389.456 3.065 20 0 GGADMN CC(C)(C)c1csc([C@@H]2CN(C(=O)c3cc(F)cc4nn[nH]c43)CCO2)n1 ZINC000283244800 1435880963 /nfs/dbraw/zinc/88/09/63/1435880963.db2.gz UZGDUNSGMFHPKH-ZDUSSCGKSA-N 0 1 389.456 3.065 20 0 GGADMN CC[C@H](C(=O)N1CCC(NC(=O)c2ccc3cncn3c2)CC1)c1ccccc1 ZINC000283252133 1435881438 /nfs/dbraw/zinc/88/14/38/1435881438.db2.gz BLBJJZJHMMOIPM-NRFANRHFSA-N 0 1 390.487 3.249 20 0 GGADMN CN1CC[C@@H](CNC(=O)C(=O)NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283259538 1435881721 /nfs/dbraw/zinc/88/17/21/1435881721.db2.gz MOCFACBUECLXHC-KBXCAEBGSA-N 0 1 395.906 3.037 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)n[nH]1 ZINC000283316705 1435883995 /nfs/dbraw/zinc/88/39/95/1435883995.db2.gz YHXXIMJGGLUECZ-GFCCVEGCSA-N 0 1 383.456 3.347 20 0 GGADMN CCOc1ccc(CN(CCCn2ccnc2)Cc2ccc(OC)nn2)cc1 ZINC000283317664 1435884116 /nfs/dbraw/zinc/88/41/16/1435884116.db2.gz ZLJACQBYLFIBBW-UHFFFAOYSA-N 0 1 381.480 3.173 20 0 GGADMN CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000283317394 1435884157 /nfs/dbraw/zinc/88/41/57/1435884157.db2.gz FHRMBNFMSZCEAT-WBVHZDCISA-N 0 1 385.474 3.026 20 0 GGADMN C[C@@H](NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21)c1cc(F)c(Cl)cc1Cl ZINC000283330741 1435884681 /nfs/dbraw/zinc/88/46/81/1435884681.db2.gz GGXKAWLBLDVKPK-XLKFXECMSA-N 0 1 399.253 3.227 20 0 GGADMN C[C@H](NC(=O)C(=O)N[C@H]1CCCc2cn[nH]c21)c1cc(F)c(Cl)cc1Cl ZINC000283330740 1435884746 /nfs/dbraw/zinc/88/47/46/1435884746.db2.gz GGXKAWLBLDVKPK-RTHLEPHNSA-N 0 1 399.253 3.227 20 0 GGADMN Cn1cc(Oc2ccccc2C(=O)NC2CCN(Cc3cccnc3)CC2)cn1 ZINC000283357315 1435885869 /nfs/dbraw/zinc/88/58/69/1435885869.db2.gz YILOEDWUEVGQOA-UHFFFAOYSA-N 0 1 391.475 3.002 20 0 GGADMN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000283367448 1435886425 /nfs/dbraw/zinc/88/64/25/1435886425.db2.gz DQDDTWSILSWVTG-UHFFFAOYSA-N 0 1 380.448 3.371 20 0 GGADMN CCc1ccc(C(=O)N2CCN(C(=O)c3cccc4[nH]c(C)nc43)CC2)cc1 ZINC000283413942 1435888848 /nfs/dbraw/zinc/88/88/48/1435888848.db2.gz IEDUYRNJWDJJLS-UHFFFAOYSA-N 0 1 376.460 3.032 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)c2[nH]1 ZINC000283438804 1435889900 /nfs/dbraw/zinc/88/99/00/1435889900.db2.gz JWCUSVITMKMYDH-UHFFFAOYSA-N 0 1 394.500 3.242 20 0 GGADMN Cc1c([C@H](C)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)nnn1-c1ccc(C)cc1 ZINC000283454851 1435890655 /nfs/dbraw/zinc/89/06/55/1435890655.db2.gz UWWGEOQVXTWDDK-YRISNDGFSA-N 0 1 384.524 3.102 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283486180 1435892182 /nfs/dbraw/zinc/89/21/82/1435892182.db2.gz JLNDVFOTTABVQO-LJQANCHMSA-N 0 1 379.504 3.336 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CCCN(Cc2ccccc2)CC1)C(N)=O ZINC000283517962 1435893597 /nfs/dbraw/zinc/89/35/97/1435893597.db2.gz GYUCVBJYIRVRIF-QGZVFWFLSA-N 0 1 397.544 3.001 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)c2[nH]1 ZINC000283533026 1435894171 /nfs/dbraw/zinc/89/41/71/1435894171.db2.gz RNJXWOUSWXXEOD-MRXNPFEDSA-N 0 1 393.447 3.424 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)c2[nH]1 ZINC000283533017 1435894194 /nfs/dbraw/zinc/89/41/94/1435894194.db2.gz RNJXWOUSWXXEOD-INIZCTEOSA-N 0 1 393.447 3.424 20 0 GGADMN Cc1ccc(-c2nnc(N3CCN(C4CCC4)CC3)n2C[C@@H]2CCOC2)s1 ZINC000283548039 1435894891 /nfs/dbraw/zinc/89/48/91/1435894891.db2.gz YHHVUIKMAGZICI-INIZCTEOSA-N 0 1 387.553 3.026 20 0 GGADMN Cc1cc2sc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)nc2cc1F ZINC000283558764 1435895423 /nfs/dbraw/zinc/89/54/23/1435895423.db2.gz IPNRPZGYSQAUAM-CQSZACIVSA-N 0 1 392.500 3.320 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH]1 ZINC000283569457 1435895941 /nfs/dbraw/zinc/89/59/41/1435895941.db2.gz VNBAXLJGUKMFGU-UHFFFAOYSA-N 0 1 382.851 3.123 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)[nH]1 ZINC000283594178 1435897121 /nfs/dbraw/zinc/89/71/21/1435897121.db2.gz XQISNXNKIOKACS-OAHLLOKOSA-N 0 1 377.448 3.066 20 0 GGADMN O=C(CCC1CCCC1)N1CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283612434 1435897870 /nfs/dbraw/zinc/89/78/70/1435897870.db2.gz RDAVYJOOTOSDPF-NRFANRHFSA-N 0 1 397.563 3.263 20 0 GGADMN O=C(CCC1CCCC1)N1CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283612444 1435897881 /nfs/dbraw/zinc/89/78/81/1435897881.db2.gz RDAVYJOOTOSDPF-OAQYLSRUSA-N 0 1 397.563 3.263 20 0 GGADMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000283690339 1435904984 /nfs/dbraw/zinc/90/49/84/1435904984.db2.gz VLXAURJTFUXGAN-URVUXULASA-N 0 1 394.494 3.371 20 0 GGADMN COc1ccc(CN(CC2CC2)C(=O)N[C@H]2CCCc3cn[nH]c32)c(OC)c1 ZINC000283744490 1435914415 /nfs/dbraw/zinc/91/44/15/1435914415.db2.gz FCMFNGDOKSSFFJ-SFHVURJKSA-N 0 1 384.480 3.426 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@](C)(O)CCc3ccccc3)C1)CCCC2 ZINC000283752891 1435916649 /nfs/dbraw/zinc/91/66/49/1435916649.db2.gz IXTATZILTINBBP-XXBNENTESA-N 0 1 381.520 3.228 20 0 GGADMN C[C@]12CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)C[C@H]1C2(Cl)Cl ZINC000283808481 1435928007 /nfs/dbraw/zinc/92/80/07/1435928007.db2.gz BHLQOTYYUBBQAA-AEFFLSMTSA-N 0 1 397.350 3.271 20 0 GGADMN CCn1c(CSc2ccccc2OC)nnc1N1CCN(CC2CC2)CC1 ZINC000283809878 1435928531 /nfs/dbraw/zinc/92/85/31/1435928531.db2.gz XBRYYPNRINDYNV-UHFFFAOYSA-N 0 1 387.553 3.131 20 0 GGADMN OC[C@H](C[C@H](O)c1ccccc1)NCc1cnn(Cc2ccccc2)c1Cl ZINC000283829774 1435932072 /nfs/dbraw/zinc/93/20/72/1435932072.db2.gz GUEOQWNDDSRWJE-PMACEKPBSA-N 0 1 385.895 3.159 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)[nH]1 ZINC000283838457 1435934029 /nfs/dbraw/zinc/93/40/29/1435934029.db2.gz GORXNKMITGIMIH-UHFFFAOYSA-N 0 1 378.432 3.265 20 0 GGADMN Cc1c(NC(=O)c2ccc3cncn3c2)cccc1C(=O)N1CCSCC1 ZINC000283900981 1435949019 /nfs/dbraw/zinc/94/90/19/1435949019.db2.gz KNNHGMNSKOJSTJ-UHFFFAOYSA-N 0 1 380.473 3.084 20 0 GGADMN FC(F)(F)COCc1ccc(CN[C@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000283909981 1435950859 /nfs/dbraw/zinc/95/08/59/1435950859.db2.gz DGULRVJQILRCDK-INIZCTEOSA-N 0 1 377.370 3.158 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2C)cc1 ZINC000283938775 1435957727 /nfs/dbraw/zinc/95/77/27/1435957727.db2.gz BEYPPRODUKMJMU-KRWDZBQOSA-N 0 1 388.533 3.098 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc4cncn4c3)C2)cc1 ZINC000283966208 1435963560 /nfs/dbraw/zinc/96/35/60/1435963560.db2.gz OFXQMSSSNUONMG-KRWDZBQOSA-N 0 1 391.475 3.317 20 0 GGADMN CS(=O)(=O)c1ccccc1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000283968240 1435963881 /nfs/dbraw/zinc/96/38/81/1435963881.db2.gz OGSJZFYZUCUYBP-UHFFFAOYSA-N 0 1 383.473 3.415 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)[nH]1 ZINC000283969306 1435964044 /nfs/dbraw/zinc/96/40/44/1435964044.db2.gz MEXYUSNBMRTSCZ-OAHLLOKOSA-N 0 1 381.411 3.047 20 0 GGADMN O=C(NC[C@H]1CCCN(C(=O)c2ccc3cncn3c2)C1)Nc1cccc(F)c1 ZINC000283976521 1435965800 /nfs/dbraw/zinc/96/58/00/1435965800.db2.gz OUHMVNUDDHHURK-OAHLLOKOSA-N 0 1 395.438 3.147 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000283982938 1435967267 /nfs/dbraw/zinc/96/72/67/1435967267.db2.gz CUHZCAVBBFYYIL-WCXIOVBPSA-N 0 1 380.554 3.024 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000283982944 1435967764 /nfs/dbraw/zinc/96/77/64/1435967764.db2.gz CUHZCAVBBFYYIL-YVSFHVDLSA-N 0 1 380.554 3.024 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CN2CCC3(CCOCC3)CC2)cc1OC ZINC000284005252 1435971341 /nfs/dbraw/zinc/97/13/41/1435971341.db2.gz DSGWUHZMNWKHJI-KRWDZBQOSA-N 0 1 390.524 3.164 20 0 GGADMN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cnn(Cc2ccccc2)c1Cl ZINC000284053028 1435982082 /nfs/dbraw/zinc/98/20/82/1435982082.db2.gz SMXIWHRFGDSJBZ-ROUUACIJSA-N 0 1 385.899 3.328 20 0 GGADMN COc1ccc([C@@H](NC[C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)cc1 ZINC000284060957 1435983111 /nfs/dbraw/zinc/98/31/11/1435983111.db2.gz KDUXFCSHGRQKDR-QRWLVFNGSA-N 0 1 377.481 3.338 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)c2)CC1 ZINC000284068736 1435984459 /nfs/dbraw/zinc/98/44/59/1435984459.db2.gz VTGLDTUUSKVUEY-OAQYLSRUSA-N 0 1 377.488 3.133 20 0 GGADMN COc1ncc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000284119791 1435994353 /nfs/dbraw/zinc/99/43/53/1435994353.db2.gz CLISNIODSHTQJP-CHWSQXEVSA-N 0 1 397.928 3.406 20 0 GGADMN COc1cccc(OC)c1OC1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000284141724 1435997488 /nfs/dbraw/zinc/99/74/88/1435997488.db2.gz VKZYJIGIAJPPFC-UHFFFAOYSA-N 0 1 381.432 3.035 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3[C@@H]3CCCO3)c2C1 ZINC000284180832 1436002121 /nfs/dbraw/zinc/00/21/21/1436002121.db2.gz GVCYUOOSRVLFGI-NDXORKPFSA-N 0 1 399.535 3.155 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc4cncn4c3)CC2)cc1Cl ZINC000284202394 1436003747 /nfs/dbraw/zinc/00/37/47/1436003747.db2.gz ZFJXZLUPKOOVFS-UHFFFAOYSA-N 0 1 397.866 3.286 20 0 GGADMN COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000284276034 1436009271 /nfs/dbraw/zinc/00/92/71/1436009271.db2.gz HDWBWNBUTIXDJK-KUHUBIRLSA-N 0 1 394.512 3.191 20 0 GGADMN COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000284294936 1436010676 /nfs/dbraw/zinc/01/06/76/1436010676.db2.gz IIRLCPFSTAQOSU-QRWLVFNGSA-N 0 1 376.522 3.052 20 0 GGADMN CC(C)c1noc(Cc2ccc(NC(=O)N3CCN(C4CCC4)CC3)cc2)n1 ZINC000284300962 1436011243 /nfs/dbraw/zinc/01/12/43/1436011243.db2.gz GSSRFHRAQKKJSL-UHFFFAOYSA-N 0 1 383.496 3.486 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cnc(OC)c(Cl)c3)C2=O)cc1 ZINC000284305818 1436011883 /nfs/dbraw/zinc/01/18/83/1436011883.db2.gz KZQDKEYUERXXOW-SCLBCKFNSA-N 0 1 389.883 3.204 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cnc(OC)c(Cl)c3)C2=O)cc1 ZINC000284305815 1436011937 /nfs/dbraw/zinc/01/19/37/1436011937.db2.gz KZQDKEYUERXXOW-FZKQIMNGSA-N 0 1 389.883 3.204 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)c2[nH]1 ZINC000284316926 1436012792 /nfs/dbraw/zinc/01/27/92/1436012792.db2.gz HQDWQDSRIMYURV-UHFFFAOYSA-N 0 1 377.404 3.101 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)[nH]1 ZINC000284351633 1436015323 /nfs/dbraw/zinc/01/53/23/1436015323.db2.gz KEEXQPXPXOAYKO-UHFFFAOYSA-N 0 1 378.432 3.068 20 0 GGADMN COc1ncc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1Cl ZINC000284376766 1436016894 /nfs/dbraw/zinc/01/68/94/1436016894.db2.gz OMQNHAHNILWICJ-UGSOOPFHSA-N 0 1 388.899 3.366 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@H]1CCCO1)NCc1cccc(COCc2ccco2)c1 ZINC000284377803 1436016937 /nfs/dbraw/zinc/01/69/37/1436016937.db2.gz FJECJJUNFLMOMI-FGZHOGPDSA-N 0 1 398.503 3.256 20 0 GGADMN COc1ncc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1Cl ZINC000284376757 1436016976 /nfs/dbraw/zinc/01/69/76/1436016976.db2.gz OMQNHAHNILWICJ-FZKQIMNGSA-N 0 1 388.899 3.366 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000284417085 1436020221 /nfs/dbraw/zinc/02/02/21/1436020221.db2.gz DOFIVWIWIDUNOW-CABCVRRESA-N 0 1 375.860 3.007 20 0 GGADMN CC(=O)c1ccc(NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284429744 1436021343 /nfs/dbraw/zinc/02/13/43/1436021343.db2.gz DAXNTVXSQCRKTJ-LAUBAEHRSA-N 0 1 395.507 3.360 20 0 GGADMN COc1ncc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1Cl ZINC000284449499 1436022542 /nfs/dbraw/zinc/02/25/42/1436022542.db2.gz SJODEVNXOZKMCP-KBPBESRZSA-N 0 1 376.888 3.215 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2scnc2COC)CC1 ZINC000284447226 1436022558 /nfs/dbraw/zinc/02/25/58/1436022558.db2.gz HUYYAIUDROLHPJ-UHFFFAOYSA-N 0 1 394.928 3.337 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2csc(-c3ccsc3)n2)CCC(=O)N1C ZINC000284452353 1436022797 /nfs/dbraw/zinc/02/27/97/1436022797.db2.gz GPRFVTILTQMLOG-RHSMWYFYSA-N 0 1 387.534 3.057 20 0 GGADMN COc1ncc([C@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1Cl ZINC000284459796 1436023280 /nfs/dbraw/zinc/02/32/80/1436023280.db2.gz TVYVKEWHFBDAHJ-ZDUSSCGKSA-N 0 1 377.872 3.061 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(Oc3ccccn3)cc2)C1 ZINC000284477896 1436024605 /nfs/dbraw/zinc/02/46/05/1436024605.db2.gz BSGZRCUVJIRLRZ-SJORKVTESA-N 0 1 394.435 3.294 20 0 GGADMN CCOc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc1 ZINC000284475771 1436024781 /nfs/dbraw/zinc/02/47/81/1436024781.db2.gz ALMNEOXHNQBARE-CWHMAMJXSA-N 0 1 396.535 3.374 20 0 GGADMN CC(C)N1C(=O)N[C@@H]2CN(Cc3ccc(OCc4ccncc4)cc3)CC[C@@H]21 ZINC000284485904 1436025125 /nfs/dbraw/zinc/02/51/25/1436025125.db2.gz BPGROUYBPVAKPU-RTWAWAEBSA-N 0 1 380.492 3.037 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000284487323 1436025480 /nfs/dbraw/zinc/02/54/80/1436025480.db2.gz CJCOOLVCOMXMGE-DOMZBBRYSA-N 0 1 398.294 3.211 20 0 GGADMN CCn1c(CSc2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 ZINC000284492761 1436025927 /nfs/dbraw/zinc/02/59/27/1436025927.db2.gz UNYAAUVQEGNNMJ-UHFFFAOYSA-N 0 1 387.553 3.273 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000284506808 1436026717 /nfs/dbraw/zinc/02/67/17/1436026717.db2.gz DFDZDRYMXIXMCS-KYJSFNMBSA-N 0 1 386.496 3.301 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc3cnn(C(C)C)c3c2)C1 ZINC000284506093 1436026794 /nfs/dbraw/zinc/02/67/94/1436026794.db2.gz DPWXMCYSPIDLTG-WBVHZDCISA-N 0 1 383.456 3.038 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000284509481 1436027030 /nfs/dbraw/zinc/02/70/30/1436027030.db2.gz HWFCYNCCSLUTCL-MOPGFXCFSA-N 0 1 378.480 3.238 20 0 GGADMN COc1ccc(-c2ccncc2)cc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000284513548 1436027255 /nfs/dbraw/zinc/02/72/55/1436027255.db2.gz DLRGOKQVKUFBOW-UXHICEINSA-N 0 1 380.492 3.134 20 0 GGADMN COc1cc2c(cc1F)nccc2N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284545467 1436029468 /nfs/dbraw/zinc/02/94/68/1436029468.db2.gz NKEPWQNKSZVNAO-KRWDZBQOSA-N 0 1 383.427 3.136 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCc3sccc3C2)CCCN1C1CC1 ZINC000284563035 1436030742 /nfs/dbraw/zinc/03/07/42/1436030742.db2.gz NPDBMIQNZGHJSU-MGPUTAFESA-N 0 1 399.564 3.165 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2csc(-c3ccccn3)n2)C1 ZINC000284581748 1436031943 /nfs/dbraw/zinc/03/19/43/1436031943.db2.gz JJIVKZFSHYNFFW-ZBFHGGJFSA-N 0 1 382.493 3.163 20 0 GGADMN CCOc1cc(F)ccc1NC(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000284583117 1436032051 /nfs/dbraw/zinc/03/20/51/1436032051.db2.gz HFNWFFPVCAMSAH-HIFRSBDPSA-N 0 1 389.431 3.214 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000284583607 1436032242 /nfs/dbraw/zinc/03/22/42/1436032242.db2.gz LJWRQOZFZYNOGX-ZWZTZDBGSA-N 0 1 399.278 3.176 20 0 GGADMN Cc1ccc(C)c(CC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284592536 1436032687 /nfs/dbraw/zinc/03/26/87/1436032687.db2.gz MFBAAAPCACMDKV-FDDCHVKYSA-N 0 1 380.536 3.311 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 ZINC000284594009 1436033001 /nfs/dbraw/zinc/03/30/01/1436033001.db2.gz MFKSJYYXYMEMPI-HIFRSBDPSA-N 0 1 387.827 3.024 20 0 GGADMN CC(C)c1ncc(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)s1 ZINC000284600242 1436033426 /nfs/dbraw/zinc/03/34/26/1436033426.db2.gz MYNYANPLRMZFCG-KBXCAEBGSA-N 0 1 387.553 3.346 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2sc(-c3ccc(C)o3)nc2C)C1 ZINC000284604435 1436033506 /nfs/dbraw/zinc/03/35/06/1436033506.db2.gz NJEZEXLKAKSHQO-OLZOCXBDSA-N 0 1 387.465 3.049 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccco1)c1ccsc1 ZINC000284611423 1436034336 /nfs/dbraw/zinc/03/43/36/1436034336.db2.gz QBIQPWWUZSPGMK-ZBFHGGJFSA-N 0 1 377.510 3.060 20 0 GGADMN Cc1cc2oc(=O)cc(CN3CCC[C@@](O)(c4cn(C(C)C)nn4)C3)c2cc1C ZINC000284612432 1436034557 /nfs/dbraw/zinc/03/45/57/1436034557.db2.gz LVJOHFOBKNDAJX-QFIPXVFZSA-N 0 1 396.491 3.066 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1)Nc1ccccc1 ZINC000284619533 1436035027 /nfs/dbraw/zinc/03/50/27/1436035027.db2.gz VJYMXTSVXHICOC-IBGZPJMESA-N 0 1 377.448 3.151 20 0 GGADMN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000284622370 1436035411 /nfs/dbraw/zinc/03/54/11/1436035411.db2.gz BBQDFAAQGGMOMM-RCCFBDPRSA-N 0 1 391.899 3.448 20 0 GGADMN CC(C)(C)c1cc(NC(=O)[C@H]2CCc3[nH]nnc3C2)n(Cc2ccccc2)n1 ZINC000284647023 1436036926 /nfs/dbraw/zinc/03/69/26/1436036926.db2.gz NBMSKOGHHFIEJC-HNNXBMFYSA-N 0 1 378.480 3.091 20 0 GGADMN CC(C)(C)c1cc(NC(=O)[C@H]2CCc3nn[nH]c3C2)n(Cc2ccccc2)n1 ZINC000284647023 1436036929 /nfs/dbraw/zinc/03/69/29/1436036929.db2.gz NBMSKOGHHFIEJC-HNNXBMFYSA-N 0 1 378.480 3.091 20 0 GGADMN COc1ccc(CN(C[C@H]2CCCS(=O)(=O)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC000284656670 1436037892 /nfs/dbraw/zinc/03/78/92/1436037892.db2.gz GFADNBYWVKEQAS-JKSUJKDBSA-N 0 1 381.538 3.129 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000284672210 1436039209 /nfs/dbraw/zinc/03/92/09/1436039209.db2.gz VRRCZWRNVOTOLN-KGLIPLIRSA-N 0 1 383.374 3.212 20 0 GGADMN Cc1nc(C(C)(C)C)sc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000284675900 1436039387 /nfs/dbraw/zinc/03/93/87/1436039387.db2.gz WAPGIWQYBUAJST-GOEBONIOSA-N 0 1 389.569 3.295 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000284701623 1436041113 /nfs/dbraw/zinc/04/11/13/1436041113.db2.gz ICJRNLVXFQQTJW-HZPDHXFCSA-N 0 1 386.517 3.109 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(F)cc2OC(C)C)C1 ZINC000284698891 1436041189 /nfs/dbraw/zinc/04/11/89/1436041189.db2.gz BPBIYVDNSVRQDC-HIFRSBDPSA-N 0 1 377.420 3.033 20 0 GGADMN CC(C)c1nc(C(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cs1 ZINC000284705639 1436041552 /nfs/dbraw/zinc/04/15/52/1436041552.db2.gz ZKAVUAWHLLZAPY-KBXCAEBGSA-N 0 1 387.553 3.346 20 0 GGADMN Cn1nccc1[C@H]1[C@H](NCc2cccc(Cl)c2F)CCC(=O)N1C1CC1 ZINC000284708785 1436041901 /nfs/dbraw/zinc/04/19/01/1436041901.db2.gz ZHVRKMBHVVSKNU-DNVCBOLYSA-N 0 1 376.863 3.197 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(F)cc2OC(C)(C)C)C1 ZINC000284716708 1436042381 /nfs/dbraw/zinc/04/23/81/1436042381.db2.gz HJZMNUHSNJYXRR-HIFRSBDPSA-N 0 1 391.447 3.423 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C1 ZINC000284720622 1436043111 /nfs/dbraw/zinc/04/31/11/1436043111.db2.gz CKDCIICIYHMCKZ-MOPGFXCFSA-N 0 1 398.511 3.343 20 0 GGADMN CCOc1ccc([C@H](COC)NC[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000284721875 1436043174 /nfs/dbraw/zinc/04/31/74/1436043174.db2.gz JNCXMOYPUDXEDH-KNQAVFIVSA-N 0 1 387.476 3.005 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@@H](C)c2ccc(F)cc2F)C1 ZINC000284722599 1436043226 /nfs/dbraw/zinc/04/32/26/1436043226.db2.gz BDDGNSJVPRVBMF-WNMQOVRZSA-N 0 1 391.422 3.193 20 0 GGADMN Cn1ccc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2c1=O ZINC000284723398 1436043272 /nfs/dbraw/zinc/04/32/72/1436043272.db2.gz BBAXNOLYAQGEGF-UHFFFAOYSA-N 0 1 390.487 3.278 20 0 GGADMN CCCN(CC1CC1)C(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000284726517 1436043736 /nfs/dbraw/zinc/04/37/36/1436043736.db2.gz OYLIUKDUAHFLJL-UHFFFAOYSA-N 0 1 391.943 3.069 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc3scnc3c2)C1 ZINC000284734317 1436044519 /nfs/dbraw/zinc/04/45/19/1436044519.db2.gz XGUUDSHHIMCPOD-OCCSQVGLSA-N 0 1 384.465 3.286 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)n[nH]1 ZINC000284735857 1436044751 /nfs/dbraw/zinc/04/47/51/1436044751.db2.gz BZBWTPYBHCIHPY-UONOGXRCSA-N 0 1 397.483 3.454 20 0 GGADMN CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000284741820 1436045129 /nfs/dbraw/zinc/04/51/29/1436045129.db2.gz UTPWCGSSXHMCEB-RTWAWAEBSA-N 0 1 380.492 3.037 20 0 GGADMN CC(C)N1C(=O)N[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000284741820 1436045133 /nfs/dbraw/zinc/04/51/33/1436045133.db2.gz UTPWCGSSXHMCEB-RTWAWAEBSA-N 0 1 380.492 3.037 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000284741403 1436045158 /nfs/dbraw/zinc/04/51/58/1436045158.db2.gz KVZUQBJCPXTEGE-YVSFHVDLSA-N 0 1 380.554 3.309 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000284741399 1436045320 /nfs/dbraw/zinc/04/53/20/1436045320.db2.gz KVZUQBJCPXTEGE-WCXIOVBPSA-N 0 1 380.554 3.309 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000284744995 1436045406 /nfs/dbraw/zinc/04/54/06/1436045406.db2.gz LBNBTYVQLFJWSO-YYAJDYIMSA-N 0 1 380.554 3.214 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000284744986 1436045422 /nfs/dbraw/zinc/04/54/22/1436045422.db2.gz LBNBTYVQLFJWSO-GGXPGOJBSA-N 0 1 380.554 3.214 20 0 GGADMN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000284758986 1436047084 /nfs/dbraw/zinc/04/70/84/1436047084.db2.gz FZQALSDSLMBGHD-VQIMIIECSA-N 0 1 380.452 3.151 20 0 GGADMN CCc1ccc2c(CN3C[C@H](OC)C[C@H]3c3n[nH]c(C4CC4)n3)cc(=O)oc2c1 ZINC000284762358 1436047432 /nfs/dbraw/zinc/04/74/32/1436047432.db2.gz GGWBXNUSTLVIPK-AEFFLSMTSA-N 0 1 394.475 3.313 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)Nc2cc(-c3ccc(C)o3)n[nH]2)n1 ZINC000284772236 1436048324 /nfs/dbraw/zinc/04/83/24/1436048324.db2.gz PSVVEJYMQPFZDS-UHFFFAOYSA-N 0 1 375.410 3.184 20 0 GGADMN Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000284784505 1436049578 /nfs/dbraw/zinc/04/95/78/1436049578.db2.gz FQDVISBFPRFRBA-MOPGFXCFSA-N 0 1 394.450 3.119 20 0 GGADMN Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000284784505 1436049583 /nfs/dbraw/zinc/04/95/83/1436049583.db2.gz FQDVISBFPRFRBA-MOPGFXCFSA-N 0 1 394.450 3.119 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000284797424 1436050749 /nfs/dbraw/zinc/05/07/49/1436050749.db2.gz HMPIUXBVNWKIGP-MOPGFXCFSA-N 0 1 399.495 3.106 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)NCCC2CCCCC2)cc1 ZINC000284798938 1436050991 /nfs/dbraw/zinc/05/09/91/1436050991.db2.gz PFVVPFPXDGAYGR-INIZCTEOSA-N 0 1 380.554 3.217 20 0 GGADMN C[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000824593332 1441459401 /nfs/dbraw/zinc/45/94/01/1441459401.db2.gz QUKWTTVXKSUAHP-LBPRGKRZSA-N 0 1 381.465 3.262 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@]4(O)CCCC[C@@H]4C3)c2c1 ZINC000822195063 1441461099 /nfs/dbraw/zinc/46/10/99/1441461099.db2.gz FXZUMPGVOJSDLS-QVKFZJNVSA-N 0 1 378.480 3.163 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826341395 1441461976 /nfs/dbraw/zinc/46/19/76/1441461976.db2.gz GQNWHURSILQAJD-UHFFFAOYSA-N 0 1 382.468 3.316 20 0 GGADMN Clc1ccc(-c2nnn[n-]2)c(N2CCC([NH2+]CCOc3ccccc3)CC2)c1 ZINC000822567754 1441463052 /nfs/dbraw/zinc/46/30/52/1441463052.db2.gz GPHCHPWYKFBCKV-UHFFFAOYSA-N 0 1 398.898 3.158 20 0 GGADMN CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000821182549 1441463319 /nfs/dbraw/zinc/46/33/19/1441463319.db2.gz WJPMCELUQROEBI-LJQANCHMSA-N 0 1 393.495 3.380 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000819867119 1441464435 /nfs/dbraw/zinc/46/44/35/1441464435.db2.gz RRXIJCFFTDFIQG-CJNGLKHVSA-N 0 1 396.882 3.164 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000819867119 1441464439 /nfs/dbraw/zinc/46/44/39/1441464439.db2.gz RRXIJCFFTDFIQG-CJNGLKHVSA-N 0 1 396.882 3.164 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577285 1441472081 /nfs/dbraw/zinc/47/20/81/1441472081.db2.gz JGBPOSVJFKABQS-CVEARBPZSA-N 0 1 382.537 3.491 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@@H+]3CCOC4(CCC4)C3)c2)c1 ZINC000826515953 1441482826 /nfs/dbraw/zinc/48/28/26/1441482826.db2.gz QTQJMKBCACQKKW-UHFFFAOYSA-N 0 1 391.475 3.201 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[N@H+]3CCOC4(CCC4)C3)c2)c1 ZINC000826515953 1441482827 /nfs/dbraw/zinc/48/28/27/1441482827.db2.gz QTQJMKBCACQKKW-UHFFFAOYSA-N 0 1 391.475 3.201 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000824762120 1441488204 /nfs/dbraw/zinc/48/82/04/1441488204.db2.gz DWUGIHBCAOWZGV-VQIMIIECSA-N 0 1 394.523 3.042 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000454 1441494404 /nfs/dbraw/zinc/49/44/04/1441494404.db2.gz FIICOBWTHVMWBL-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000454 1441494405 /nfs/dbraw/zinc/49/44/05/1441494405.db2.gz FIICOBWTHVMWBL-GOSISDBHSA-N 0 1 387.447 3.426 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000824108309 1441520699 /nfs/dbraw/zinc/52/06/99/1441520699.db2.gz DJUDUBFXOUWCKF-ROUUACIJSA-N 0 1 398.511 3.137 20 0 GGADMN Clc1ccccc1C[C@H]1CCC[N@H+]1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826353232 1441524457 /nfs/dbraw/zinc/52/44/57/1441524457.db2.gz HBUXKLAPXWVFIN-MRXNPFEDSA-N 0 1 393.882 3.375 20 0 GGADMN CC(C)OCC[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000820146368 1441525771 /nfs/dbraw/zinc/52/57/71/1441525771.db2.gz MJJNJIKYUPCJFD-UHFFFAOYSA-N 0 1 398.433 3.187 20 0 GGADMN CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736321959 1441539096 /nfs/dbraw/zinc/53/90/96/1441539096.db2.gz HEGZZDCZKHTVTQ-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822541589 1441540650 /nfs/dbraw/zinc/54/06/50/1441540650.db2.gz OJCHMUXXIMXNHW-ZQIUZPCESA-N 0 1 394.479 3.282 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821061655 1441541014 /nfs/dbraw/zinc/54/10/14/1441541014.db2.gz RUFYBXKHIMFIRP-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821061655 1441541019 /nfs/dbraw/zinc/54/10/19/1441541019.db2.gz RUFYBXKHIMFIRP-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821061655 1441541021 /nfs/dbraw/zinc/54/10/21/1441541021.db2.gz RUFYBXKHIMFIRP-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN Fc1cccc(Cl)c1[C@H](CNc1cnccc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC000826377450 1441543719 /nfs/dbraw/zinc/54/37/19/1441543719.db2.gz SIKAGNBVXOMRSS-INIZCTEOSA-N 0 1 387.850 3.303 20 0 GGADMN COc1c(C)cnc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1C ZINC000821698481 1441545221 /nfs/dbraw/zinc/54/52/21/1441545221.db2.gz MFYGNGWFXDBJDP-UHFFFAOYSA-N 0 1 375.436 3.072 20 0 GGADMN Cc1c([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccc(Cl)cc1 ZINC000822021102 1441554771 /nfs/dbraw/zinc/55/47/71/1441554771.db2.gz VSERJPWEVNTNIO-GFCCVEGCSA-N 0 1 394.870 3.260 20 0 GGADMN FC(F)(F)c1cc(N2CC[NH+](Cc3ccsc3)CC2)ccc1-c1nnn[n-]1 ZINC000737633443 1441584778 /nfs/dbraw/zinc/58/47/78/1441584778.db2.gz RRFLPUNSMZQPAZ-UHFFFAOYSA-N 0 1 394.426 3.269 20 0 GGADMN COCCOc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826162860 1441585872 /nfs/dbraw/zinc/58/58/72/1441585872.db2.gz VMCIOKVCRVKNQQ-HXUWFJFHSA-N 0 1 379.464 3.059 20 0 GGADMN Cc1ccc(C(=O)C2CC[NH+](Cc3cc(F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000822224839 1441594847 /nfs/dbraw/zinc/59/48/47/1441594847.db2.gz CIRUOOANESELGF-UHFFFAOYSA-N 0 1 379.439 3.409 20 0 GGADMN Brc1ccccc1CNc1c(-c2nnn[n-]2)c[nH+]c2ccccc21 ZINC000819689011 1441595089 /nfs/dbraw/zinc/59/50/89/1441595089.db2.gz SJPBZTGPZPLZFB-UHFFFAOYSA-N 0 1 381.237 3.211 20 0 GGADMN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(Cl)s1 ZINC000820413223 1441595115 /nfs/dbraw/zinc/59/51/15/1441595115.db2.gz PEFHUZQUEHEMRF-NSHDSACASA-N 0 1 389.916 3.296 20 0 GGADMN CCC[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000821094527 1441605277 /nfs/dbraw/zinc/60/52/77/1441605277.db2.gz LHUQGTZODMMPJT-NHCUHLMSSA-N 0 1 377.492 3.170 20 0 GGADMN CCC[N@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000821094527 1441605281 /nfs/dbraw/zinc/60/52/81/1441605281.db2.gz LHUQGTZODMMPJT-NHCUHLMSSA-N 0 1 377.492 3.170 20 0 GGADMN CCC[N@@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000821094527 1441605284 /nfs/dbraw/zinc/60/52/84/1441605284.db2.gz LHUQGTZODMMPJT-NHCUHLMSSA-N 0 1 377.492 3.170 20 0 GGADMN Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822199770 1441605853 /nfs/dbraw/zinc/60/58/53/1441605853.db2.gz HCEBHFHUVIFIJS-UHFFFAOYSA-N 0 1 386.550 3.398 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000826182170 1441625340 /nfs/dbraw/zinc/62/53/40/1441625340.db2.gz BPVALZRGHPUWQC-UHFFFAOYSA-N 0 1 391.475 3.279 20 0 GGADMN Cc1cccc2c(NCCCc3nc4ccccc4[nH]3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822337176 1441627529 /nfs/dbraw/zinc/62/75/29/1441627529.db2.gz UYGHGWDOJQQUSX-UHFFFAOYSA-N 0 1 384.447 3.066 20 0 GGADMN COc1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)[C@H](CO)C(C)C)cc1 ZINC000826193842 1441629928 /nfs/dbraw/zinc/62/99/28/1441629928.db2.gz RLFFWPFYZKUMFV-HXUWFJFHSA-N 0 1 399.470 3.034 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CCOc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000823675192 1441630434 /nfs/dbraw/zinc/63/04/34/1441630434.db2.gz VKJGGNUZTVBCNG-AEFFLSMTSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1CCOc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000823675192 1441630437 /nfs/dbraw/zinc/63/04/37/1441630437.db2.gz VKJGGNUZTVBCNG-AEFFLSMTSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CCOc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000823675192 1441630442 /nfs/dbraw/zinc/63/04/42/1441630442.db2.gz VKJGGNUZTVBCNG-AEFFLSMTSA-N 0 1 397.479 3.207 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N(C)CCCc2cc(-c3ccccc3)no2)[nH+]1 ZINC000826273995 1441632589 /nfs/dbraw/zinc/63/25/89/1441632589.db2.gz CRZCHLNMWSBSGV-UHFFFAOYSA-N 0 1 375.436 3.294 20 0 GGADMN COc1cccc(C[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C2CCC(O)CC2)c1 ZINC000826216069 1441632977 /nfs/dbraw/zinc/63/29/77/1441632977.db2.gz JDTURQLMXNWAFO-UHFFFAOYSA-N 0 1 399.520 3.243 20 0 GGADMN CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000736679253 1441640388 /nfs/dbraw/zinc/64/03/88/1441640388.db2.gz PTWWVGYPEILCII-HNNXBMFYSA-N 0 1 396.520 3.341 20 0 GGADMN CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000736679253 1441640390 /nfs/dbraw/zinc/64/03/90/1441640390.db2.gz PTWWVGYPEILCII-HNNXBMFYSA-N 0 1 396.520 3.341 20 0 GGADMN CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000736679253 1441640392 /nfs/dbraw/zinc/64/03/92/1441640392.db2.gz PTWWVGYPEILCII-HNNXBMFYSA-N 0 1 396.520 3.341 20 0 GGADMN C[NH+](C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736761888 1441651408 /nfs/dbraw/zinc/65/14/08/1441651408.db2.gz VXMMOVQNNOLGMK-CYBMUJFWSA-N 0 1 395.364 3.134 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824569592 1441655276 /nfs/dbraw/zinc/65/52/76/1441655276.db2.gz JBQYPOZGSLMCDX-BLLLJJGKSA-N 0 1 391.397 3.140 20 0 GGADMN Cc1c(Cl)cnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238915 1441659168 /nfs/dbraw/zinc/65/91/68/1441659168.db2.gz SLRNDQAPKRDDNC-INIZCTEOSA-N 0 1 383.887 3.473 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000820711268 1441676007 /nfs/dbraw/zinc/67/60/07/1441676007.db2.gz VRTBDSPUSDUASC-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820711268 1441676010 /nfs/dbraw/zinc/67/60/10/1441676010.db2.gz VRTBDSPUSDUASC-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000820711268 1441676015 /nfs/dbraw/zinc/67/60/15/1441676015.db2.gz VRTBDSPUSDUASC-CQSZACIVSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1ccccc1 ZINC000826232316 1441683256 /nfs/dbraw/zinc/68/32/56/1441683256.db2.gz ZZGFEGRZHRYEIA-ZDUSSCGKSA-N 0 1 396.520 3.486 20 0 GGADMN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824406867 1441686800 /nfs/dbraw/zinc/68/68/00/1441686800.db2.gz SABXACXYNNDQCS-CHWSQXEVSA-N 0 1 383.427 3.406 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1ccccc1 ZINC000824993389 1441690399 /nfs/dbraw/zinc/69/03/99/1441690399.db2.gz QKWYLYPMVZTRSN-BTYIYWSLSA-N 0 1 385.475 3.460 20 0 GGADMN CC[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc2C1 ZINC000825120831 1441690615 /nfs/dbraw/zinc/69/06/15/1441690615.db2.gz NYTDFSVWXJWFRN-KKSFZXQISA-N 0 1 376.508 3.354 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826307677 1441696176 /nfs/dbraw/zinc/69/61/76/1441696176.db2.gz RZSGFBIQWPUOFH-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826307677 1441696180 /nfs/dbraw/zinc/69/61/80/1441696180.db2.gz RZSGFBIQWPUOFH-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826307677 1441696183 /nfs/dbraw/zinc/69/61/83/1441696183.db2.gz RZSGFBIQWPUOFH-UHFFFAOYSA-N 0 1 380.471 3.022 20 0 GGADMN c1cnn(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cc2)c1 ZINC000826526345 1441704036 /nfs/dbraw/zinc/70/40/36/1441704036.db2.gz UZFMJVFIXUISDX-OAQYLSRUSA-N 0 1 385.475 3.279 20 0 GGADMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821222474 1441707532 /nfs/dbraw/zinc/70/75/32/1441707532.db2.gz UOOYNCYZBURNBZ-UHFFFAOYSA-N 0 1 389.406 3.499 20 0 GGADMN C[C@@H](Nc1ccccc1C[NH+]1CCC(CO)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662665 1441731835 /nfs/dbraw/zinc/73/18/35/1441731835.db2.gz PBKUMKNFRJIFKG-MRXNPFEDSA-N 0 1 392.507 3.244 20 0 GGADMN C[NH+](C)Cc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000736771780 1441741382 /nfs/dbraw/zinc/74/13/82/1441741382.db2.gz RPUXZWSBZOABQY-UHFFFAOYSA-N 0 1 391.479 3.125 20 0 GGADMN Fc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c(-c2nn[n-]n2)c1 ZINC000737650384 1441743615 /nfs/dbraw/zinc/74/36/15/1441743615.db2.gz RAZOEERGCAABKO-UHFFFAOYSA-N 0 1 395.438 3.336 20 0 GGADMN CC(C)(C)[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597181 1441744155 /nfs/dbraw/zinc/74/41/55/1441744155.db2.gz NDEAXEWBGOAGKX-WMZOPIPTSA-N 0 1 382.512 3.120 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826503080 1441771093 /nfs/dbraw/zinc/77/10/93/1441771093.db2.gz QGZCCEDZBDFYAM-HKUYNNGSSA-N 0 1 385.418 3.233 20 0 GGADMN COCC[N@H+](Cc1cnc(CC(C)C)s1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159255 1441776525 /nfs/dbraw/zinc/77/65/25/1441776525.db2.gz ZASIVCUOPJKHBA-UHFFFAOYSA-N 0 1 386.525 3.170 20 0 GGADMN COCC[N@@H+](Cc1cnc(CC(C)C)s1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159255 1441776526 /nfs/dbraw/zinc/77/65/26/1441776526.db2.gz ZASIVCUOPJKHBA-UHFFFAOYSA-N 0 1 386.525 3.170 20 0 GGADMN CC[N@@H+](CCOc1ccccc1-c1nnn[n-]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736541149 1441780926 /nfs/dbraw/zinc/78/09/26/1441780926.db2.gz DNILPSHFDIEUDC-INIZCTEOSA-N 0 1 381.480 3.207 20 0 GGADMN CC[N@H+](CCOc1ccccc1-c1nn[n-]n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736541149 1441780930 /nfs/dbraw/zinc/78/09/30/1441780930.db2.gz DNILPSHFDIEUDC-INIZCTEOSA-N 0 1 381.480 3.207 20 0 GGADMN CC[N@@H+](CCOc1ccccc1-c1nn[n-]n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736541149 1441780934 /nfs/dbraw/zinc/78/09/34/1441780934.db2.gz DNILPSHFDIEUDC-INIZCTEOSA-N 0 1 381.480 3.207 20 0 GGADMN CCc1[nH+]ccn1CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000825754950 1441784508 /nfs/dbraw/zinc/78/45/08/1441784508.db2.gz LBEWOIKWONIVMA-UHFFFAOYSA-N 0 1 396.499 3.188 20 0 GGADMN C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569056 1441787309 /nfs/dbraw/zinc/78/73/09/1441787309.db2.gz GFYRGXZBGUVSNG-KBXCAEBGSA-N 0 1 383.471 3.459 20 0 GGADMN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)Oc1ccccc1Br ZINC000820276410 1441790275 /nfs/dbraw/zinc/79/02/75/1441790275.db2.gz WRTCATQHNDKFGD-GFCCVEGCSA-N 0 1 388.269 3.186 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000736634805 1441794102 /nfs/dbraw/zinc/79/41/02/1441794102.db2.gz JBYUKDBMVALTHQ-UHFFFAOYSA-N 0 1 397.454 3.362 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000736634805 1441794104 /nfs/dbraw/zinc/79/41/04/1441794104.db2.gz JBYUKDBMVALTHQ-UHFFFAOYSA-N 0 1 397.454 3.362 20 0 GGADMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC000824687283 1441797446 /nfs/dbraw/zinc/79/74/46/1441797446.db2.gz FGOBLFZFMWPLFM-JXFKEZNVSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@H](O)[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687283 1441797447 /nfs/dbraw/zinc/79/74/47/1441797447.db2.gz FGOBLFZFMWPLFM-JXFKEZNVSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000824687283 1441797450 /nfs/dbraw/zinc/79/74/50/1441797450.db2.gz FGOBLFZFMWPLFM-JXFKEZNVSA-N 0 1 393.491 3.039 20 0 GGADMN CS[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826226952 1441816074 /nfs/dbraw/zinc/81/60/74/1441816074.db2.gz JBPZBYLFDASJMX-RBUKOAKNSA-N 0 1 386.569 3.095 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)CC1CCN(c2ccccn2)CC1 ZINC000825435363 1441820914 /nfs/dbraw/zinc/82/09/14/1441820914.db2.gz VMXPEFMSIAQPNQ-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1F)CC1CCN(c2ccccn2)CC1 ZINC000825435363 1441820915 /nfs/dbraw/zinc/82/09/15/1441820915.db2.gz VMXPEFMSIAQPNQ-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1F)CC1CCN(c2ccccn2)CC1 ZINC000825435363 1441820916 /nfs/dbraw/zinc/82/09/16/1441820916.db2.gz VMXPEFMSIAQPNQ-UHFFFAOYSA-N 0 1 395.486 3.139 20 0 GGADMN CC(C)n1ncc2cc(C[NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)cnc21 ZINC000824378049 1441851914 /nfs/dbraw/zinc/85/19/14/1441851914.db2.gz XEAFXYTZAXSYJD-LJQANCHMSA-N 0 1 388.479 3.360 20 0 GGADMN CSc1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826230915 1441861113 /nfs/dbraw/zinc/86/11/13/1441861113.db2.gz ORTWLNLNPZIQGV-UHFFFAOYSA-N 0 1 394.548 3.343 20 0 GGADMN CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821418277 1441862186 /nfs/dbraw/zinc/86/21/86/1441862186.db2.gz YOMQEOLALLLLTO-UXHICEINSA-N 0 1 379.464 3.136 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000821651970 1441874135 /nfs/dbraw/zinc/87/41/35/1441874135.db2.gz KANDVNXQXVXDJJ-PXNSSMCTSA-N 0 1 391.475 3.351 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000821651970 1441874139 /nfs/dbraw/zinc/87/41/39/1441874139.db2.gz KANDVNXQXVXDJJ-PXNSSMCTSA-N 0 1 391.475 3.351 20 0 GGADMN COc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826214793 1441880589 /nfs/dbraw/zinc/88/05/89/1441880589.db2.gz XEUJFFNDQODGFW-MRXNPFEDSA-N 0 1 392.507 3.191 20 0 GGADMN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823364081 1441892841 /nfs/dbraw/zinc/89/28/41/1441892841.db2.gz YOVCQXYVAVUOPQ-UHFFFAOYSA-N 0 1 398.417 3.383 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000822015139 1441902980 /nfs/dbraw/zinc/90/29/80/1441902980.db2.gz FBLWAVJMWWEVAS-INIZCTEOSA-N 0 1 399.543 3.317 20 0 GGADMN Fc1cccc(F)c1CN1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737662752 1441906254 /nfs/dbraw/zinc/90/62/54/1441906254.db2.gz ZIUXSYQVNLWDQF-LBPRGKRZSA-N 0 1 388.397 3.361 20 0 GGADMN Fc1cccc(F)c1C[N@@H+]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737662752 1441906255 /nfs/dbraw/zinc/90/62/55/1441906255.db2.gz ZIUXSYQVNLWDQF-LBPRGKRZSA-N 0 1 388.397 3.361 20 0 GGADMN Fc1cccc(F)c1C[N@H+]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737662752 1441906257 /nfs/dbraw/zinc/90/62/57/1441906257.db2.gz ZIUXSYQVNLWDQF-LBPRGKRZSA-N 0 1 388.397 3.361 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736452179 1441906397 /nfs/dbraw/zinc/90/63/97/1441906397.db2.gz BGBOSSACRQMMSU-UHFFFAOYSA-N 0 1 397.449 3.229 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736452179 1441906399 /nfs/dbraw/zinc/90/63/99/1441906399.db2.gz BGBOSSACRQMMSU-UHFFFAOYSA-N 0 1 397.449 3.229 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736452179 1441906402 /nfs/dbraw/zinc/90/64/02/1441906402.db2.gz BGBOSSACRQMMSU-UHFFFAOYSA-N 0 1 397.449 3.229 20 0 GGADMN CCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825308196 1441907831 /nfs/dbraw/zinc/90/78/31/1441907831.db2.gz XJTCCWWRNVHMAU-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN CCC[N@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000825308196 1441907834 /nfs/dbraw/zinc/90/78/34/1441907834.db2.gz XJTCCWWRNVHMAU-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN CCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000825308196 1441907836 /nfs/dbraw/zinc/90/78/36/1441907836.db2.gz XJTCCWWRNVHMAU-GFCCVEGCSA-N 0 1 376.530 3.114 20 0 GGADMN C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577708 1441920208 /nfs/dbraw/zinc/92/02/08/1441920208.db2.gz NKJLLAIFNKASDB-KBXCAEBGSA-N 0 1 384.459 3.477 20 0 GGADMN C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824571821 1441922507 /nfs/dbraw/zinc/92/25/07/1441922507.db2.gz SADSEYXIBDBTBS-QWHCGFSZSA-N 0 1 386.500 3.165 20 0 GGADMN COc1ccccc1C[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC000821889801 1441946745 /nfs/dbraw/zinc/94/67/45/1441946745.db2.gz GFPNEGYFECLQCT-GOSISDBHSA-N 0 1 381.480 3.241 20 0 GGADMN COc1ccc(CC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000821790100 1441949041 /nfs/dbraw/zinc/94/90/41/1441949041.db2.gz HYFZGZTWQQXUFT-GFCCVEGCSA-N 0 1 389.406 3.370 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000737640492 1441952049 /nfs/dbraw/zinc/95/20/49/1441952049.db2.gz YYZVKAMMQXSLCH-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2C[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826523563 1441952786 /nfs/dbraw/zinc/95/27/86/1441952786.db2.gz QEINRYJRBDLJAX-GOSISDBHSA-N 0 1 375.476 3.440 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@H]3OCCc4sccc43)c2c1 ZINC000822195435 1441961033 /nfs/dbraw/zinc/96/10/33/1441961033.db2.gz RLOGLIRMEONWSX-MRXNPFEDSA-N 0 1 392.488 3.241 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821062114 1441961049 /nfs/dbraw/zinc/96/10/49/1441961049.db2.gz SYWLZXLSIPHLTM-UHFFFAOYSA-N 0 1 398.536 3.480 20 0 GGADMN CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821062114 1441961053 /nfs/dbraw/zinc/96/10/53/1441961053.db2.gz SYWLZXLSIPHLTM-UHFFFAOYSA-N 0 1 398.536 3.480 20 0 GGADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821062114 1441961054 /nfs/dbraw/zinc/96/10/54/1441961054.db2.gz SYWLZXLSIPHLTM-UHFFFAOYSA-N 0 1 398.536 3.480 20 0 GGADMN CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825301886 1441970685 /nfs/dbraw/zinc/97/06/85/1441970685.db2.gz RTXWEADYCOJCSN-OAHLLOKOSA-N 0 1 378.480 3.053 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC000821181021 1441971951 /nfs/dbraw/zinc/97/19/51/1441971951.db2.gz IRNCPLNPIGBXER-INIZCTEOSA-N 0 1 390.491 3.090 20 0 GGADMN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000736391224 1441976509 /nfs/dbraw/zinc/97/65/09/1441976509.db2.gz LQLPWQFPCIRVOJ-MRXNPFEDSA-N 0 1 397.458 3.145 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824961876 1441977394 /nfs/dbraw/zinc/97/73/94/1441977394.db2.gz KGHHSOLBNAKJFR-MRXNPFEDSA-N 0 1 377.496 3.349 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826183522 1441977696 /nfs/dbraw/zinc/97/76/96/1441977696.db2.gz RPYROKSKMLLYDP-ROUUACIJSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826183522 1441977700 /nfs/dbraw/zinc/97/77/00/1441977700.db2.gz RPYROKSKMLLYDP-ROUUACIJSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000826183522 1441977705 /nfs/dbraw/zinc/97/77/05/1441977705.db2.gz RPYROKSKMLLYDP-ROUUACIJSA-N 0 1 397.479 3.337 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821597664 1441983158 /nfs/dbraw/zinc/98/31/58/1441983158.db2.gz BZHIMALQTHKSEZ-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821597664 1441983160 /nfs/dbraw/zinc/98/31/60/1441983160.db2.gz BZHIMALQTHKSEZ-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2cc1-c1nn[n-]n1 ZINC000821597664 1441983162 /nfs/dbraw/zinc/98/31/62/1441983162.db2.gz BZHIMALQTHKSEZ-GOSISDBHSA-N 0 1 399.502 3.373 20 0 GGADMN NC(CCc1ccccc1)=[NH+]OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822890583 1441985820 /nfs/dbraw/zinc/98/58/20/1441985820.db2.gz YAOFEHJLAFZLTM-UHFFFAOYSA-N 0 1 388.378 3.099 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1-c1nn[n-]n1 ZINC000821808103 1441996025 /nfs/dbraw/zinc/99/60/25/1441996025.db2.gz AHSBZVZLRFMTSX-HNNXBMFYSA-N 0 1 398.898 3.145 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC1([NH+]2CCCCC2)CCCCC1 ZINC000738438300 1442000109 /nfs/dbraw/zinc/00/01/09/1442000109.db2.gz YICUHRHFKKAPFH-UHFFFAOYSA-N 0 1 392.511 3.411 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@H](C)c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826349293 1442009491 /nfs/dbraw/zinc/00/94/91/1442009491.db2.gz CQUGSLZMDPUCGM-SECBINFHSA-N 0 1 392.435 3.113 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885919 1442023939 /nfs/dbraw/zinc/02/39/39/1442023939.db2.gz VDIWHQLYMADOIU-KFWWJZLASA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885919 1442023943 /nfs/dbraw/zinc/02/39/43/1442023943.db2.gz VDIWHQLYMADOIU-KFWWJZLASA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000824885919 1442023948 /nfs/dbraw/zinc/02/39/48/1442023948.db2.gz VDIWHQLYMADOIU-KFWWJZLASA-N 0 1 386.500 3.163 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738432212 1442039510 /nfs/dbraw/zinc/03/95/10/1442039510.db2.gz DUWPPOISLJUPCK-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738432212 1442039512 /nfs/dbraw/zinc/03/95/12/1442039512.db2.gz DUWPPOISLJUPCK-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738432212 1442039516 /nfs/dbraw/zinc/03/95/16/1442039516.db2.gz DUWPPOISLJUPCK-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cc(-c3nn[n-]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226227 1442039973 /nfs/dbraw/zinc/03/99/73/1442039973.db2.gz GHQRJXYUCOSYBJ-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736226227 1442039979 /nfs/dbraw/zinc/03/99/79/1442039979.db2.gz GHQRJXYUCOSYBJ-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN C[C@H]1C[C@H](N(C)Cc2cc(-c3nnn[n-]3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226227 1442039983 /nfs/dbraw/zinc/03/99/83/1442039983.db2.gz GHQRJXYUCOSYBJ-OXJNMPFZSA-N 0 1 394.498 3.491 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+](CCCOc1cccc(-c3nnn[n-]3)c1)C2 ZINC000821849318 1442041854 /nfs/dbraw/zinc/04/18/54/1442041854.db2.gz DBXFXRXJLUMLQQ-UHFFFAOYSA-N 0 1 379.464 3.093 20 0 GGADMN COc1ccc2c(c1)CCC[N@@H+](CCCOc1cccc(-c3nn[n-]n3)c1)C2 ZINC000821849318 1442041857 /nfs/dbraw/zinc/04/18/57/1442041857.db2.gz DBXFXRXJLUMLQQ-UHFFFAOYSA-N 0 1 379.464 3.093 20 0 GGADMN COc1ccc2c(c1)CCC[N@H+](CCCOc1cccc(-c3nn[n-]n3)c1)C2 ZINC000821849318 1442041861 /nfs/dbraw/zinc/04/18/61/1442041861.db2.gz DBXFXRXJLUMLQQ-UHFFFAOYSA-N 0 1 379.464 3.093 20 0 GGADMN COC(=O)CC[N@@H+](Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000736913003 1442060674 /nfs/dbraw/zinc/06/06/74/1442060674.db2.gz LQWMWNXWPATUSG-UHFFFAOYSA-N 0 1 379.464 3.307 20 0 GGADMN COC(=O)CC[N@H+](Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000736913003 1442060676 /nfs/dbraw/zinc/06/06/76/1442060676.db2.gz LQWMWNXWPATUSG-UHFFFAOYSA-N 0 1 379.464 3.307 20 0 GGADMN COC(=O)CC[N@@H+](Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000736913003 1442060680 /nfs/dbraw/zinc/06/06/80/1442060680.db2.gz LQWMWNXWPATUSG-UHFFFAOYSA-N 0 1 379.464 3.307 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000820091797 1442063184 /nfs/dbraw/zinc/06/31/84/1442063184.db2.gz AQJMPBTUBFLKKB-GFCCVEGCSA-N 0 1 387.438 3.083 20 0 GGADMN CC(C)C[N@@H+]1CC[C@H](CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000820091797 1442063186 /nfs/dbraw/zinc/06/31/86/1442063186.db2.gz AQJMPBTUBFLKKB-GFCCVEGCSA-N 0 1 387.438 3.083 20 0 GGADMN CC(C)C[N@H+]1CC[C@H](CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000820091797 1442063189 /nfs/dbraw/zinc/06/31/89/1442063189.db2.gz AQJMPBTUBFLKKB-GFCCVEGCSA-N 0 1 387.438 3.083 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825668724 1442070012 /nfs/dbraw/zinc/07/00/12/1442070012.db2.gz JBOFZVZVTLOJJG-UONOGXRCSA-N 0 1 385.493 3.072 20 0 GGADMN Cc1cc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cnc1Cl ZINC000826267265 1442072268 /nfs/dbraw/zinc/07/22/68/1442072268.db2.gz YFEJCBBLDAZUDW-UHFFFAOYSA-N 0 1 399.886 3.098 20 0 GGADMN Cc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c(N2CCCC2)[nH+]1 ZINC000826288402 1442076563 /nfs/dbraw/zinc/07/65/63/1442076563.db2.gz FSCHUTAEFIDURH-UHFFFAOYSA-N 0 1 386.463 3.331 20 0 GGADMN CC1CC[NH+](C[C@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)CC1 ZINC000824955898 1442094718 /nfs/dbraw/zinc/09/47/18/1442094718.db2.gz PEFGLMZKQGBNQY-QGZVFWFLSA-N 0 1 391.523 3.363 20 0 GGADMN Cn1c2ccccc2nc1CC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826355366 1442100239 /nfs/dbraw/zinc/10/02/39/1442100239.db2.gz WKHFTQFYKITMEE-UHFFFAOYSA-N 0 1 385.475 3.085 20 0 GGADMN Cn1c2ccccc2nc1CC[N@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826355366 1442100245 /nfs/dbraw/zinc/10/02/45/1442100245.db2.gz WKHFTQFYKITMEE-UHFFFAOYSA-N 0 1 385.475 3.085 20 0 GGADMN Cn1c2ccccc2nc1CC[N@@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826355366 1442100249 /nfs/dbraw/zinc/10/02/49/1442100249.db2.gz WKHFTQFYKITMEE-UHFFFAOYSA-N 0 1 385.475 3.085 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000826194656 1442103137 /nfs/dbraw/zinc/10/31/37/1442103137.db2.gz RXNQTLVFFKXZIF-SFHVURJKSA-N 0 1 389.463 3.099 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1-c1nnn[n-]1 ZINC000826194656 1442103141 /nfs/dbraw/zinc/10/31/41/1442103141.db2.gz RXNQTLVFFKXZIF-SFHVURJKSA-N 0 1 389.463 3.099 20 0 GGADMN COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826203007 1442110486 /nfs/dbraw/zinc/11/04/86/1442110486.db2.gz WEKLGIWHWPOKRB-PKOBYXMFSA-N 0 1 398.898 3.064 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826220565 1442120870 /nfs/dbraw/zinc/12/08/70/1442120870.db2.gz RSSVAWKUQGNMAO-CVEARBPZSA-N 0 1 378.480 3.052 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000826170269 1442145111 /nfs/dbraw/zinc/14/51/11/1442145111.db2.gz URJWXIWNAIMUDU-SFHVURJKSA-N 0 1 395.463 3.048 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819940010 1442152529 /nfs/dbraw/zinc/15/25/29/1442152529.db2.gz NLZIWCUAVVARRT-GXTWGEPZSA-N 0 1 392.529 3.101 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820938813 1442159793 /nfs/dbraw/zinc/15/97/93/1442159793.db2.gz MTJQNTNKAGRNPB-FQEVSTJZSA-N 0 1 398.461 3.414 20 0 GGADMN FC(F)(F)c1cccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826368832 1442168340 /nfs/dbraw/zinc/16/83/40/1442168340.db2.gz CMIUSRQTXUHUBC-OAHLLOKOSA-N 0 1 379.342 3.052 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@H+]1CCC2(CCCC2)C1 ZINC000819877273 1442168792 /nfs/dbraw/zinc/16/87/92/1442168792.db2.gz RYKOYIQPOYTLMK-LBPRGKRZSA-N 0 1 386.525 3.010 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824324776 1442170680 /nfs/dbraw/zinc/17/06/80/1442170680.db2.gz VFRPPYJACMFLRE-OAHLLOKOSA-N 0 1 394.479 3.333 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000737033401 1442179398 /nfs/dbraw/zinc/17/93/98/1442179398.db2.gz VBXZZEYXOBXSNQ-QGZVFWFLSA-N 0 1 383.427 3.230 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000823675514 1442181495 /nfs/dbraw/zinc/18/14/95/1442181495.db2.gz XATDRXWLWIARQF-SJLPKXTDSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@H](C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675514 1442181498 /nfs/dbraw/zinc/18/14/98/1442181498.db2.gz XATDRXWLWIARQF-SJLPKXTDSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675514 1442181502 /nfs/dbraw/zinc/18/15/02/1442181502.db2.gz XATDRXWLWIARQF-SJLPKXTDSA-N 0 1 399.520 3.285 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737334404 1442182253 /nfs/dbraw/zinc/18/22/53/1442182253.db2.gz HFXIQJQKSVZAPG-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334404 1442182258 /nfs/dbraw/zinc/18/22/58/1442182258.db2.gz HFXIQJQKSVZAPG-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737334404 1442182263 /nfs/dbraw/zinc/18/22/63/1442182263.db2.gz HFXIQJQKSVZAPG-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1c[nH+]ccc1N1CCC(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822399633 1442209413 /nfs/dbraw/zinc/20/94/13/1442209413.db2.gz LMRIPRZIOQQIBF-HNNXBMFYSA-N 0 1 392.463 3.091 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(-c3nnn[n-]3)cc1OC)CCC2 ZINC000825749303 1442218601 /nfs/dbraw/zinc/21/86/01/1442218601.db2.gz BMKUGVTUTFQDGZ-OAHLLOKOSA-N 0 1 384.509 3.404 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(-c3nnn[n-]3)cc1OC)CCC2 ZINC000825749303 1442218605 /nfs/dbraw/zinc/21/86/05/1442218605.db2.gz BMKUGVTUTFQDGZ-OAHLLOKOSA-N 0 1 384.509 3.404 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2ccnc(-c3nnn[n-]3)c2)c2ccc(F)cc2)cc1 ZINC000826189119 1442235467 /nfs/dbraw/zinc/23/54/67/1442235467.db2.gz NWQAIVBBRGMZNJ-HXUWFJFHSA-N 0 1 390.422 3.289 20 0 GGADMN CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000825307917 1442250028 /nfs/dbraw/zinc/25/00/28/1442250028.db2.gz RBUAHBSAFPKOJV-LBPRGKRZSA-N 0 1 376.530 3.256 20 0 GGADMN CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825142390 1442250101 /nfs/dbraw/zinc/25/01/01/1442250101.db2.gz RLUIIYZFLYLVLW-CQSZACIVSA-N 0 1 390.394 3.034 20 0 GGADMN CC[NH+](CC)[C@H](CNc1nc2ccccn2c1-c1nn[n-]n1)c1ccsc1 ZINC000825413305 1442252994 /nfs/dbraw/zinc/25/29/94/1442252994.db2.gz ZWYACUAYMZUAOR-CQSZACIVSA-N 0 1 382.497 3.071 20 0 GGADMN C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820315196 1442266524 /nfs/dbraw/zinc/26/65/24/1442266524.db2.gz MBEWNYKQVSCOCH-SJCJKPOMSA-N 0 1 384.871 3.000 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)CCc1cccc(F)c1 ZINC000736469913 1442269891 /nfs/dbraw/zinc/26/98/91/1442269891.db2.gz GGKWEODEHCZALZ-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)CCc1cccc(F)c1 ZINC000736469913 1442269893 /nfs/dbraw/zinc/26/98/93/1442269893.db2.gz GGKWEODEHCZALZ-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)CCc1cccc(F)c1 ZINC000736469913 1442269896 /nfs/dbraw/zinc/26/98/96/1442269896.db2.gz GGKWEODEHCZALZ-UHFFFAOYSA-N 0 1 396.470 3.289 20 0 GGADMN CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618926 1442282148 /nfs/dbraw/zinc/28/21/48/1442282148.db2.gz BPBSEXDNWWNAMX-MRXNPFEDSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820722836 1442291866 /nfs/dbraw/zinc/29/18/66/1442291866.db2.gz PUIJIOAVQDNUBA-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820722836 1442291871 /nfs/dbraw/zinc/29/18/71/1442291871.db2.gz PUIJIOAVQDNUBA-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820722836 1442291875 /nfs/dbraw/zinc/29/18/75/1442291875.db2.gz PUIJIOAVQDNUBA-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(OCCN(C)c2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc32)cc1 ZINC000737109883 1442294855 /nfs/dbraw/zinc/29/48/55/1442294855.db2.gz ORLRFBFJWQVVGL-UHFFFAOYSA-N 0 1 390.447 3.247 20 0 GGADMN Fc1ccc(C[C@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826373944 1442297110 /nfs/dbraw/zinc/29/71/10/1442297110.db2.gz GLFFPBKCJAGUFH-GOSISDBHSA-N 0 1 391.454 3.251 20 0 GGADMN Fc1ccc(C[C@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826373944 1442297113 /nfs/dbraw/zinc/29/71/13/1442297113.db2.gz GLFFPBKCJAGUFH-GOSISDBHSA-N 0 1 391.454 3.251 20 0 GGADMN Fc1ccc(C[C@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826373944 1442297117 /nfs/dbraw/zinc/29/71/17/1442297117.db2.gz GLFFPBKCJAGUFH-GOSISDBHSA-N 0 1 391.454 3.251 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)cc1 ZINC000735830864 1442306428 /nfs/dbraw/zinc/30/64/28/1442306428.db2.gz KMEMQECJAWZFCB-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1 ZINC000735830864 1442306432 /nfs/dbraw/zinc/30/64/32/1442306432.db2.gz KMEMQECJAWZFCB-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1 ZINC000735830864 1442306434 /nfs/dbraw/zinc/30/64/34/1442306434.db2.gz KMEMQECJAWZFCB-LJQANCHMSA-N 0 1 387.434 3.337 20 0 GGADMN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820050985 1442312068 /nfs/dbraw/zinc/31/20/68/1442312068.db2.gz IJQJKQVUZVHBHH-SFHVURJKSA-N 0 1 394.545 3.347 20 0 GGADMN Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826330888 1442334778 /nfs/dbraw/zinc/33/47/78/1442334778.db2.gz MDWHLTOUIFDBJU-UHFFFAOYSA-N 0 1 394.357 3.028 20 0 GGADMN COc1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000821814195 1442336626 /nfs/dbraw/zinc/33/66/26/1442336626.db2.gz WJFAOIQEBJMKTF-UHFFFAOYSA-N 0 1 394.410 3.002 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553867 1442342153 /nfs/dbraw/zinc/34/21/53/1442342153.db2.gz JOIFPQWCURELKV-GXTWGEPZSA-N 0 1 377.489 3.101 20 0 GGADMN CC1CCC(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824910602 1442345013 /nfs/dbraw/zinc/34/50/13/1442345013.db2.gz XLVZEHBDYRJJEC-UHFFFAOYSA-N 0 1 382.512 3.344 20 0 GGADMN C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824537283 1442364215 /nfs/dbraw/zinc/36/42/15/1442364215.db2.gz DAAZUTVTXBGPEU-ZUOKHONESA-N 0 1 377.448 3.440 20 0 GGADMN CCCCC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736440769 1442368477 /nfs/dbraw/zinc/36/84/77/1442368477.db2.gz GWFMJPQQVWVQMY-QAPCUYQASA-N 0 1 380.500 3.016 20 0 GGADMN CCC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000736480298 1442368478 /nfs/dbraw/zinc/36/84/78/1442368478.db2.gz KAHNSFUWRAMJSQ-INIZCTEOSA-N 0 1 396.520 3.086 20 0 GGADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826523735 1442368929 /nfs/dbraw/zinc/36/89/29/1442368929.db2.gz WIRNYGVWFJIZBQ-UHFFFAOYSA-N 0 1 386.463 3.138 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547713 1442384959 /nfs/dbraw/zinc/38/49/59/1442384959.db2.gz BVYARLAIOMAIJY-BBATYDOGSA-N 0 1 398.442 3.237 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547713 1442384961 /nfs/dbraw/zinc/38/49/61/1442384961.db2.gz BVYARLAIOMAIJY-BBATYDOGSA-N 0 1 398.442 3.237 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001139855620 1442386441 /nfs/dbraw/zinc/38/64/41/1442386441.db2.gz YIYGLQLTDWMSQO-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001139855620 1442386444 /nfs/dbraw/zinc/38/64/44/1442386444.db2.gz YIYGLQLTDWMSQO-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001139855620 1442386448 /nfs/dbraw/zinc/38/64/48/1442386448.db2.gz YIYGLQLTDWMSQO-UHFFFAOYSA-N 0 1 386.500 3.088 20 0 GGADMN O=C1[C@@H]([N@H+]2CCCC3(CCCCC3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503775 1442390109 /nfs/dbraw/zinc/39/01/09/1442390109.db2.gz IQXQUZGVACZMLV-HNNXBMFYSA-N 0 1 386.525 3.080 20 0 GGADMN C[NH+](C)CCCC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000825860028 1442393259 /nfs/dbraw/zinc/39/32/59/1442393259.db2.gz KRUJSDHSPSSKRI-UHFFFAOYSA-N 0 1 382.434 3.444 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820759147 1442402043 /nfs/dbraw/zinc/40/20/43/1442402043.db2.gz HTRXXEVDNXAUSM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820759147 1442402046 /nfs/dbraw/zinc/40/20/46/1442402046.db2.gz HTRXXEVDNXAUSM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820759147 1442402049 /nfs/dbraw/zinc/40/20/49/1442402049.db2.gz HTRXXEVDNXAUSM-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735832331 1442403270 /nfs/dbraw/zinc/40/32/70/1442403270.db2.gz ZTJDBJLILGAVOY-IBGZPJMESA-N 0 1 387.434 3.337 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000826183546 1442409012 /nfs/dbraw/zinc/40/90/12/1442409012.db2.gz SEHNADUQSPMHQB-OAHLLOKOSA-N 0 1 390.447 3.396 20 0 GGADMN CC(C)(C)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735598156 1442410952 /nfs/dbraw/zinc/41/09/52/1442410952.db2.gz WXNISVQWASCOII-UHFFFAOYSA-N 0 1 376.892 3.217 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CCCC1 ZINC000735860442 1442413458 /nfs/dbraw/zinc/41/34/58/1442413458.db2.gz GRTYUDNNTBNXQF-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN CC(C)[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000735860442 1442413460 /nfs/dbraw/zinc/41/34/60/1442413460.db2.gz GRTYUDNNTBNXQF-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000735860442 1442413461 /nfs/dbraw/zinc/41/34/61/1442413461.db2.gz GRTYUDNNTBNXQF-UHFFFAOYSA-N 0 1 388.541 3.399 20 0 GGADMN Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)c(C)c1 ZINC000826290568 1442427072 /nfs/dbraw/zinc/42/70/72/1442427072.db2.gz QMPNRQOYUCELHM-CQSZACIVSA-N 0 1 382.443 3.130 20 0 GGADMN c1ccc(COC[C@H]2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)cc1 ZINC000823787937 1442432905 /nfs/dbraw/zinc/43/29/05/1442432905.db2.gz RFJSZNJONSKYTB-KRWDZBQOSA-N 0 1 386.459 3.458 20 0 GGADMN C[C@H](Cc1cccc(F)c1)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824459058 1442433019 /nfs/dbraw/zinc/43/30/19/1442433019.db2.gz ZCJCJSBNAIZPDC-FTXHTYHOSA-N 0 1 396.470 3.312 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820643548 1442449436 /nfs/dbraw/zinc/44/94/36/1442449436.db2.gz XAPCDNGQZNHHJN-NVXWUHKLSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820643548 1442449437 /nfs/dbraw/zinc/44/94/37/1442449437.db2.gz XAPCDNGQZNHHJN-NVXWUHKLSA-N 0 1 376.464 3.073 20 0 GGADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820643548 1442449440 /nfs/dbraw/zinc/44/94/40/1442449440.db2.gz XAPCDNGQZNHHJN-NVXWUHKLSA-N 0 1 376.464 3.073 20 0 GGADMN CC(C)(C)[NH+]1CCC(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824093437 1442451517 /nfs/dbraw/zinc/45/15/17/1442451517.db2.gz IBQWJIQMDZYWBT-UHFFFAOYSA-N 0 1 397.310 3.166 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737120439 1442453146 /nfs/dbraw/zinc/45/31/46/1442453146.db2.gz AHGJOQWAZLFONE-IRXDYDNUSA-N 0 1 392.507 3.315 20 0 GGADMN CCCc1ccc([C@@H]([NH2+][C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000825348753 1442456480 /nfs/dbraw/zinc/45/64/80/1442456480.db2.gz ZELXWKDLSKVVEH-PMACEKPBSA-N 0 1 392.507 3.333 20 0 GGADMN CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000825460479 1442470752 /nfs/dbraw/zinc/47/07/52/1442470752.db2.gz YFQGOWKCAOCLHW-QGZVFWFLSA-N 0 1 391.523 3.177 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763241 1442476607 /nfs/dbraw/zinc/47/66/07/1442476607.db2.gz LWXCOQUCDFDDQM-WFASDCNBSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763241 1442476610 /nfs/dbraw/zinc/47/66/10/1442476610.db2.gz LWXCOQUCDFDDQM-WFASDCNBSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763241 1442476613 /nfs/dbraw/zinc/47/66/13/1442476613.db2.gz LWXCOQUCDFDDQM-WFASDCNBSA-N 0 1 391.401 3.480 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)[NH2+][C@@H](C)c1ccccc1 ZINC000820057281 1442477936 /nfs/dbraw/zinc/47/79/36/1442477936.db2.gz XIYPAPOEKBJJOO-HOCLYGCPSA-N 0 1 398.536 3.424 20 0 GGADMN Cn1cc(C[NH2+]CCCc2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362009 1442483969 /nfs/dbraw/zinc/48/39/69/1442483969.db2.gz ZRWJHXXQYQJWOX-UHFFFAOYSA-N 0 1 391.454 3.129 20 0 GGADMN COCCSc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826162979 1442489504 /nfs/dbraw/zinc/48/95/04/1442489504.db2.gz BCNBOWVVLVJTTK-OAHLLOKOSA-N 0 1 399.520 3.335 20 0 GGADMN COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821777760 1442492815 /nfs/dbraw/zinc/49/28/15/1442492815.db2.gz MFVHREBQKUVHMV-CHWSQXEVSA-N 0 1 380.452 3.246 20 0 GGADMN CN(Cc1cc(-c2nnn[n-]2)ccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736813932 1443079141 /nfs/dbraw/zinc/07/91/41/1443079141.db2.gz GLADJAOZGAWZIK-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826192944 1443083438 /nfs/dbraw/zinc/08/34/38/1443083438.db2.gz JJHRZGKIROECRX-RXVVDRJESA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192944 1443083442 /nfs/dbraw/zinc/08/34/42/1443083442.db2.gz JJHRZGKIROECRX-RXVVDRJESA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192944 1443083448 /nfs/dbraw/zinc/08/34/48/1443083448.db2.gz JJHRZGKIROECRX-RXVVDRJESA-N 0 1 393.491 3.475 20 0 GGADMN CC[C@@H](C)CCCCC(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825061658 1443106645 /nfs/dbraw/zinc/10/66/45/1443106645.db2.gz XYYJTPGFLDJYIX-QGZVFWFLSA-N 0 1 384.528 3.117 20 0 GGADMN C[C@H]1CCC[C@H](C)[NH+]1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736247485 1443116390 /nfs/dbraw/zinc/11/63/90/1443116390.db2.gz FCZXVZLFIBAISH-RYUDHWBXSA-N 0 1 393.948 3.069 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413568 1443117858 /nfs/dbraw/zinc/11/78/58/1443117858.db2.gz RWLZZFKPTSHDHS-HOTGVXAUSA-N 0 1 378.480 3.115 20 0 GGADMN Fc1cccc(N2CCC[C@@H](Nc3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)c1 ZINC000822792483 1443120777 /nfs/dbraw/zinc/12/07/77/1443120777.db2.gz YJRRVHUUPSMOMZ-OAHLLOKOSA-N 0 1 389.438 3.057 20 0 GGADMN CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821087467 1443121077 /nfs/dbraw/zinc/12/10/77/1443121077.db2.gz BMPFPRRVVVRHSS-UHFFFAOYSA-N 0 1 386.431 3.066 20 0 GGADMN CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821087467 1443121081 /nfs/dbraw/zinc/12/10/81/1443121081.db2.gz BMPFPRRVVVRHSS-UHFFFAOYSA-N 0 1 386.431 3.066 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000821087467 1443121086 /nfs/dbraw/zinc/12/10/86/1443121086.db2.gz BMPFPRRVVVRHSS-UHFFFAOYSA-N 0 1 386.431 3.066 20 0 GGADMN C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820426130 1443127662 /nfs/dbraw/zinc/12/76/62/1443127662.db2.gz FXTQOPSPOOSADD-GFCCVEGCSA-N 0 1 385.855 3.185 20 0 GGADMN C[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668075 1443130074 /nfs/dbraw/zinc/13/00/74/1443130074.db2.gz PGTFZVDSJPTCNV-CMPLNLGQSA-N 0 1 375.889 3.052 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826329050 1443131235 /nfs/dbraw/zinc/13/12/35/1443131235.db2.gz OOHPCVKKGLROCD-MRXNPFEDSA-N 0 1 391.454 3.329 20 0 GGADMN c1nc(-c2ccccc2)[nH]c1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000823766813 1443134854 /nfs/dbraw/zinc/13/48/54/1443134854.db2.gz KFCDMWBGVQRVGJ-UHFFFAOYSA-N 0 1 391.504 3.280 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@H](Nc3cnccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000826374811 1443142704 /nfs/dbraw/zinc/14/27/04/1443142704.db2.gz NBESXDQWQKYACH-AWEZNQCLSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H](Nc3cnccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000826374811 1443142708 /nfs/dbraw/zinc/14/27/08/1443142708.db2.gz NBESXDQWQKYACH-AWEZNQCLSA-N 0 1 387.850 3.131 20 0 GGADMN Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1F ZINC000826288794 1443148677 /nfs/dbraw/zinc/14/86/77/1443148677.db2.gz XFHINKJCQJEGNY-UHFFFAOYSA-N 0 1 382.443 3.189 20 0 GGADMN C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824427399 1443153599 /nfs/dbraw/zinc/15/35/99/1443153599.db2.gz MRRRLOSLGQIVCR-QGZVFWFLSA-N 0 1 376.508 3.224 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1-c1nnn[n-]1 ZINC000821817942 1443173202 /nfs/dbraw/zinc/17/32/02/1443173202.db2.gz CYKIGOUGTSUDCQ-UHFFFAOYSA-N 0 1 392.232 3.067 20 0 GGADMN Cc1oc(NC(=O)CN2C[C@@H](C)C[C@@H]2c2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000822548167 1443187259 /nfs/dbraw/zinc/18/72/59/1443187259.db2.gz GVUKFROVLXCBNJ-MEDUHNTESA-N 0 1 398.442 3.237 20 0 GGADMN O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCCC1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000738382973 1443190974 /nfs/dbraw/zinc/19/09/74/1443190974.db2.gz UMWBOBLJILOBSL-PZJWPPBQSA-N 0 1 393.491 3.128 20 0 GGADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736245682 1443199437 /nfs/dbraw/zinc/19/94/37/1443199437.db2.gz UUFRNAQDPJFQDH-CHWSQXEVSA-N 0 1 376.892 3.359 20 0 GGADMN C[C@@H]1CCC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736245682 1443199443 /nfs/dbraw/zinc/19/94/43/1443199443.db2.gz UUFRNAQDPJFQDH-CHWSQXEVSA-N 0 1 376.892 3.359 20 0 GGADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736245682 1443199447 /nfs/dbraw/zinc/19/94/47/1443199447.db2.gz UUFRNAQDPJFQDH-CHWSQXEVSA-N 0 1 376.892 3.359 20 0 GGADMN Cc1cc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1N(C)C ZINC000826271366 1443204283 /nfs/dbraw/zinc/20/42/83/1443204283.db2.gz OFIBPOZUAHIZGB-UHFFFAOYSA-N 0 1 391.523 3.318 20 0 GGADMN CCC[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Br ZINC000825323593 1443204353 /nfs/dbraw/zinc/20/43/53/1443204353.db2.gz ZHOCXZKPBXLEIE-UHFFFAOYSA-N 0 1 387.285 3.436 20 0 GGADMN CCC[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Br ZINC000825323593 1443204355 /nfs/dbraw/zinc/20/43/55/1443204355.db2.gz ZHOCXZKPBXLEIE-UHFFFAOYSA-N 0 1 387.285 3.436 20 0 GGADMN CC(C)(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824072192 1443205134 /nfs/dbraw/zinc/20/51/34/1443205134.db2.gz STBYWQBUYLJPGJ-GOSISDBHSA-N 0 1 399.520 3.017 20 0 GGADMN CCC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000821099191 1443218692 /nfs/dbraw/zinc/21/86/92/1443218692.db2.gz AWRQCRIUJIRLSV-QRVBRYPASA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000821099191 1443218695 /nfs/dbraw/zinc/21/86/95/1443218695.db2.gz AWRQCRIUJIRLSV-QRVBRYPASA-N 0 1 385.512 3.161 20 0 GGADMN CCC[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000821099191 1443218699 /nfs/dbraw/zinc/21/86/99/1443218699.db2.gz AWRQCRIUJIRLSV-QRVBRYPASA-N 0 1 385.512 3.161 20 0 GGADMN O[C@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826502659 1443221982 /nfs/dbraw/zinc/22/19/82/1443221982.db2.gz HXLZFDZQCAYPOV-TZIWHRDSSA-N 0 1 393.491 3.128 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000822220178 1443237820 /nfs/dbraw/zinc/23/78/20/1443237820.db2.gz HFJVTFCOTSRUQJ-KRWDZBQOSA-N 0 1 399.886 3.253 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826030025 1443240032 /nfs/dbraw/zinc/24/00/32/1443240032.db2.gz ZUEGJVHPCBUWBV-ROUUACIJSA-N 0 1 386.862 3.194 20 0 GGADMN CN1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028927 1443246078 /nfs/dbraw/zinc/24/60/78/1443246078.db2.gz KTVNZCCKTIGURS-ROUUACIJSA-N 0 1 386.862 3.194 20 0 GGADMN CCOc1cccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825649261 1443263581 /nfs/dbraw/zinc/26/35/81/1443263581.db2.gz MZYNITQWBQMLRN-UHFFFAOYSA-N 0 1 392.507 3.020 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736201936 1443265930 /nfs/dbraw/zinc/26/59/30/1443265930.db2.gz YMEGXYPTMQCUNL-CQSZACIVSA-N 0 1 384.434 3.024 20 0 GGADMN CC[N@@H+]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825453225 1443266794 /nfs/dbraw/zinc/26/67/94/1443266794.db2.gz UOVRLWIKWXSQBA-YOEHRIQHSA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@H+]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825453225 1443266798 /nfs/dbraw/zinc/26/67/98/1443266798.db2.gz UOVRLWIKWXSQBA-YOEHRIQHSA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@@H+](CCC(=O)OCc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419024 1443267158 /nfs/dbraw/zinc/26/71/58/1443267158.db2.gz DKYJWDMBPFDHBI-MRXNPFEDSA-N 0 1 379.464 3.383 20 0 GGADMN CC[N@H+](CCC(=O)OCc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419024 1443267159 /nfs/dbraw/zinc/26/71/59/1443267159.db2.gz DKYJWDMBPFDHBI-MRXNPFEDSA-N 0 1 379.464 3.383 20 0 GGADMN CC[N@@H+](CCC(=O)OCc1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419024 1443267163 /nfs/dbraw/zinc/26/71/63/1443267163.db2.gz DKYJWDMBPFDHBI-MRXNPFEDSA-N 0 1 379.464 3.383 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1Br)C1CCCC1 ZINC000826158830 1443283737 /nfs/dbraw/zinc/28/37/37/1443283737.db2.gz FFXBQTJHXVBCBL-UHFFFAOYSA-N 0 1 380.290 3.020 20 0 GGADMN Cc1ccccc1[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)C1CC1 ZINC000826305706 1443292439 /nfs/dbraw/zinc/29/24/39/1443292439.db2.gz GMSNRVQRBJGEPL-QGZVFWFLSA-N 0 1 382.493 3.306 20 0 GGADMN O=C(CC[NH+]1CCC(c2cccc(F)c2)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822964831 1443300870 /nfs/dbraw/zinc/30/08/70/1443300870.db2.gz QKNOQCLRJXHGJJ-UHFFFAOYSA-N 0 1 394.454 3.214 20 0 GGADMN C[NH+](C)CCCCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821584487 1443304499 /nfs/dbraw/zinc/30/44/99/1443304499.db2.gz GNLMDHZVXHAELS-UHFFFAOYSA-N 0 1 379.464 3.422 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@H](O)c3ccc(Cl)cc3)c2c1 ZINC000737249361 1443310032 /nfs/dbraw/zinc/31/00/32/1443310032.db2.gz XHHFMVXUXLUYSO-KRWDZBQOSA-N 0 1 394.866 3.253 20 0 GGADMN C[NH+](C)C1CCN(c2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)CC1 ZINC000825856318 1443310997 /nfs/dbraw/zinc/31/09/97/1443310997.db2.gz TWCZWKMPIQBCAQ-UHFFFAOYSA-N 0 1 398.902 3.189 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826216104 1443311092 /nfs/dbraw/zinc/31/10/92/1443311092.db2.gz KUJUGUXYYSDBQD-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826216104 1443311096 /nfs/dbraw/zinc/31/10/96/1443311096.db2.gz KUJUGUXYYSDBQD-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826216104 1443311097 /nfs/dbraw/zinc/31/10/97/1443311097.db2.gz KUJUGUXYYSDBQD-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN CCC[N@@H+](Cc1c(C(C)C)nn(C)c1N(C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825319111 1443343198 /nfs/dbraw/zinc/34/31/98/1443343198.db2.gz YLFQKVSOBGWEMI-UHFFFAOYSA-N 0 1 396.543 3.202 20 0 GGADMN Cc1sc(NC(=O)CN2CCCC[C@@H]2c2cccn2C)c(-c2nnn[n-]2)c1C ZINC000822558268 1443344127 /nfs/dbraw/zinc/34/41/27/1443344127.db2.gz NQLUIXILHYUJMK-OAHLLOKOSA-N 0 1 399.524 3.049 20 0 GGADMN CC[N@@H+](CCC1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)CC(C)C ZINC000825419227 1443355970 /nfs/dbraw/zinc/35/59/70/1443355970.db2.gz LUGAYUCGUNRTRT-UHFFFAOYSA-N 0 1 396.543 3.099 20 0 GGADMN CC[N@H+](CCC1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)CC(C)C ZINC000825419227 1443355972 /nfs/dbraw/zinc/35/59/72/1443355972.db2.gz LUGAYUCGUNRTRT-UHFFFAOYSA-N 0 1 396.543 3.099 20 0 GGADMN CC[N@@H+](CCC1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)CC(C)C ZINC000825419227 1443355974 /nfs/dbraw/zinc/35/59/74/1443355974.db2.gz LUGAYUCGUNRTRT-UHFFFAOYSA-N 0 1 396.543 3.099 20 0 GGADMN C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824537278 1443374961 /nfs/dbraw/zinc/37/49/61/1443374961.db2.gz DAAZUTVTXBGPEU-RNODOKPDSA-N 0 1 377.448 3.440 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824611934 1443383409 /nfs/dbraw/zinc/38/34/09/1443383409.db2.gz GAWZIDCTFWRRJX-CQSZACIVSA-N 0 1 394.454 3.093 20 0 GGADMN C(=Cc1ccccc1)C[NH+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735391753 1443392605 /nfs/dbraw/zinc/39/26/05/1443392605.db2.gz XLENAJGYTGMFPE-TWGQIWQCSA-N 0 1 397.486 3.250 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820413567 1443396145 /nfs/dbraw/zinc/39/61/45/1443396145.db2.gz RWLZZFKPTSHDHS-CVEARBPZSA-N 0 1 378.480 3.115 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826507369 1443400775 /nfs/dbraw/zinc/40/07/75/1443400775.db2.gz NLEOLPZJUHITLT-SJORKVTESA-N 0 1 389.381 3.193 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826507369 1443400777 /nfs/dbraw/zinc/40/07/77/1443400777.db2.gz NLEOLPZJUHITLT-SJORKVTESA-N 0 1 389.381 3.193 20 0 GGADMN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)N2CCCC2)o1 ZINC000826284281 1443407401 /nfs/dbraw/zinc/40/74/01/1443407401.db2.gz ORSLSBKJPUCGFK-RDTXWAMCSA-N 0 1 384.459 3.395 20 0 GGADMN CC[NH+](CC)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Cc1ccccc1 ZINC000736535502 1443407665 /nfs/dbraw/zinc/40/76/65/1443407665.db2.gz XUYDYIWFWNSNQE-MRXNPFEDSA-N 0 1 385.903 3.280 20 0 GGADMN Cc1c(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)sc2nc(C)nc(C)c12 ZINC000826324063 1443421374 /nfs/dbraw/zinc/42/13/74/1443421374.db2.gz CKQKTFCNJFQOIX-UHFFFAOYSA-N 0 1 379.493 3.429 20 0 GGADMN COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826220459 1443429988 /nfs/dbraw/zinc/42/99/88/1443429988.db2.gz ONBAHQYLMPLYOX-KBPBESRZSA-N 0 1 385.443 3.380 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824611932 1443438933 /nfs/dbraw/zinc/43/89/33/1443438933.db2.gz GAWZIDCTFWRRJX-AWEZNQCLSA-N 0 1 394.454 3.093 20 0 GGADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)c2C1 ZINC000824262319 1443440393 /nfs/dbraw/zinc/44/03/93/1443440393.db2.gz ZMMUKFXXQVWHBM-KHPPLWFESA-N 0 1 388.475 3.490 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736982288 1443440889 /nfs/dbraw/zinc/44/08/89/1443440889.db2.gz VDZZRTLZXPHYBC-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736982288 1443440895 /nfs/dbraw/zinc/44/08/95/1443440895.db2.gz VDZZRTLZXPHYBC-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736982288 1443440896 /nfs/dbraw/zinc/44/08/96/1443440896.db2.gz VDZZRTLZXPHYBC-UHFFFAOYSA-N 0 1 399.470 3.096 20 0 GGADMN C[C@@H]1C[C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658929 1443446162 /nfs/dbraw/zinc/44/61/62/1443446162.db2.gz VKWJAANPNFKIRK-BEFAXECRSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1C[C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000820658929 1443446164 /nfs/dbraw/zinc/44/61/64/1443446164.db2.gz VKWJAANPNFKIRK-BEFAXECRSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1C[C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658929 1443446165 /nfs/dbraw/zinc/44/61/65/1443446165.db2.gz VKWJAANPNFKIRK-BEFAXECRSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577495 1443446695 /nfs/dbraw/zinc/44/66/95/1443446695.db2.gz LBHLIKTVKKVKDM-AWEZNQCLSA-N 0 1 390.532 3.018 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCc3c(F)cc(Br)cc3C2)[nH+]1 ZINC000826274679 1443446799 /nfs/dbraw/zinc/44/67/99/1443446799.db2.gz ADHZSPBQAMOSFY-UHFFFAOYSA-N 0 1 389.232 3.034 20 0 GGADMN CCCC[N@@H+](CCO)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825285277 1443470341 /nfs/dbraw/zinc/47/03/41/1443470341.db2.gz ORFHNHHUMGHTJF-UHFFFAOYSA-N 0 1 381.480 3.040 20 0 GGADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Sc1ccc(Br)cc1 ZINC000820274299 1443471215 /nfs/dbraw/zinc/47/12/15/1443471215.db2.gz GQWXFAVKLUGLOB-JTQLQIEISA-N 0 1 394.298 3.493 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000826182682 1443472367 /nfs/dbraw/zinc/47/23/67/1443472367.db2.gz QTVDJBPKXRXGHV-OAHLLOKOSA-N 0 1 381.505 3.490 20 0 GGADMN C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824633043 1443472643 /nfs/dbraw/zinc/47/26/43/1443472643.db2.gz GQEMDUJQQMVZRC-OAHLLOKOSA-N 0 1 385.475 3.392 20 0 GGADMN CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736471948 1443491900 /nfs/dbraw/zinc/49/19/00/1443491900.db2.gz LFWZZQGIVYDJTQ-UHFFFAOYSA-N 0 1 380.452 3.248 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000824052143 1443492252 /nfs/dbraw/zinc/49/22/52/1443492252.db2.gz LOTPZECMNXCYND-QWHCGFSZSA-N 0 1 386.525 3.032 20 0 GGADMN Cc1cc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ccc1F ZINC000826266758 1443505581 /nfs/dbraw/zinc/50/55/81/1443505581.db2.gz ACVQGHKCGTWUKG-UHFFFAOYSA-N 0 1 382.443 3.189 20 0 GGADMN CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139857484 1443512287 /nfs/dbraw/zinc/51/22/87/1443512287.db2.gz LQUAXCJJRRFPHP-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CN1CCC([N@H+](Cc2ccc(F)cc2)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139857484 1443512289 /nfs/dbraw/zinc/51/22/89/1443512289.db2.gz LQUAXCJJRRFPHP-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139857484 1443512293 /nfs/dbraw/zinc/51/22/93/1443512293.db2.gz LQUAXCJJRRFPHP-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN COCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000826158795 1443522721 /nfs/dbraw/zinc/52/27/21/1443522721.db2.gz CUVDYXUJLQXSSU-UHFFFAOYSA-N 0 1 375.835 3.308 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(Cl)c(F)c1 ZINC000826158795 1443522723 /nfs/dbraw/zinc/52/27/23/1443522723.db2.gz CUVDYXUJLQXSSU-UHFFFAOYSA-N 0 1 375.835 3.308 20 0 GGADMN Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2ccccc2-c2nnn[n-]2)n1 ZINC000822303534 1443526012 /nfs/dbraw/zinc/52/60/12/1443526012.db2.gz DVHXLBVTZRQOCZ-UHFFFAOYSA-N 0 1 385.475 3.476 20 0 GGADMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000819933343 1443535677 /nfs/dbraw/zinc/53/56/77/1443535677.db2.gz OGNBNTTVYBJREX-UHFFFAOYSA-N 0 1 392.529 3.245 20 0 GGADMN C[N@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000826028484 1443542943 /nfs/dbraw/zinc/54/29/43/1443542943.db2.gz AYKXYJAKUZADLY-ZFWWWQNUSA-N 0 1 389.385 3.138 20 0 GGADMN OCC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000826509559 1443544993 /nfs/dbraw/zinc/54/49/93/1443544993.db2.gz YTQTYOGDIILARM-QGZVFWFLSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826509559 1443544998 /nfs/dbraw/zinc/54/49/98/1443544998.db2.gz YTQTYOGDIILARM-QGZVFWFLSA-N 0 1 393.491 3.040 20 0 GGADMN OCC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826509559 1443544999 /nfs/dbraw/zinc/54/49/99/1443544999.db2.gz YTQTYOGDIILARM-QGZVFWFLSA-N 0 1 393.491 3.040 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001139854522 1443549223 /nfs/dbraw/zinc/54/92/23/1443549223.db2.gz MMXOMYUJVMAVBB-IRXDYDNUSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001139854522 1443549225 /nfs/dbraw/zinc/54/92/25/1443549225.db2.gz MMXOMYUJVMAVBB-IRXDYDNUSA-N 0 1 386.500 3.134 20 0 GGADMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001139854522 1443549226 /nfs/dbraw/zinc/54/92/26/1443549226.db2.gz MMXOMYUJVMAVBB-IRXDYDNUSA-N 0 1 386.500 3.134 20 0 GGADMN c1cc2c(cc1-c1nn[n-]n1)CCC[C@H]2[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000826518348 1443552024 /nfs/dbraw/zinc/55/20/24/1443552024.db2.gz KFDYUOGNHVBJQG-LJQANCHMSA-N 0 1 398.580 3.195 20 0 GGADMN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)oc1C ZINC000826325721 1443562163 /nfs/dbraw/zinc/56/21/63/1443562163.db2.gz JMLYUUKVQVVYOO-OAHLLOKOSA-N 0 1 395.511 3.034 20 0 GGADMN C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824585323 1443562800 /nfs/dbraw/zinc/56/28/00/1443562800.db2.gz PVZNSPSOJSIUPU-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN C[C@@H]1CCN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1F ZINC000824962521 1443567486 /nfs/dbraw/zinc/56/74/86/1443567486.db2.gz VDLCHWQMIRRBJL-RNCFNFMXSA-N 0 1 378.358 3.201 20 0 GGADMN CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331520 1443573394 /nfs/dbraw/zinc/57/33/94/1443573394.db2.gz QAZDRUJNZJXXJB-VXGBXAGGSA-N 0 1 376.892 3.358 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc12 ZINC000826263685 1443583318 /nfs/dbraw/zinc/58/33/18/1443583318.db2.gz MGGITIASVCIQEE-LBPRGKRZSA-N 0 1 377.452 3.274 20 0 GGADMN CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000736697751 1443597397 /nfs/dbraw/zinc/59/73/97/1443597397.db2.gz AYXLZUQUHRAJER-ZDUSSCGKSA-N 0 1 399.524 3.216 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820822484 1443606677 /nfs/dbraw/zinc/60/66/77/1443606677.db2.gz ZELCFDZZKZRVEC-GFCCVEGCSA-N 0 1 398.417 3.093 20 0 GGADMN Cc1cc([C@@H]2CN(Cc3cn4ccccc4c3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266516 1443610300 /nfs/dbraw/zinc/61/03/00/1443610300.db2.gz RCHPHDVRDVQGOJ-IBGZPJMESA-N 0 1 392.438 3.140 20 0 GGADMN Cc1cc([C@@H]2C[N@H+](Cc3cn4ccccc4c3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266516 1443610304 /nfs/dbraw/zinc/61/03/04/1443610304.db2.gz RCHPHDVRDVQGOJ-IBGZPJMESA-N 0 1 392.438 3.140 20 0 GGADMN Cc1cc([C@@H]2C[N@@H+](Cc3cn4ccccc4c3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266516 1443610307 /nfs/dbraw/zinc/61/03/07/1443610307.db2.gz RCHPHDVRDVQGOJ-IBGZPJMESA-N 0 1 392.438 3.140 20 0 GGADMN c1ccc(C2CC[NH+](Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)cc1 ZINC000823781034 1443614726 /nfs/dbraw/zinc/61/47/26/1443614726.db2.gz ZFTPKCRVJQRHDH-UHFFFAOYSA-N 0 1 387.447 3.296 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824545324 1443631425 /nfs/dbraw/zinc/63/14/25/1443631425.db2.gz BWHMNGIXAQVLSY-WMLDXEAASA-N 0 1 386.500 3.307 20 0 GGADMN c1ccc([C@H]2COC3(C2)CC[NH+](Cc2ccc(-c4nn[n-]n4)cc2)CC3)cc1 ZINC001139092931 1443636581 /nfs/dbraw/zinc/63/65/81/1443636581.db2.gz XGMYNABDSISTQN-HXUWFJFHSA-N 0 1 375.476 3.405 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820020147 1443640691 /nfs/dbraw/zinc/64/06/91/1443640691.db2.gz CELKCXQFBADIHT-WOJBJXKFSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020147 1443640694 /nfs/dbraw/zinc/64/06/94/1443640694.db2.gz CELKCXQFBADIHT-WOJBJXKFSA-N 0 1 383.471 3.238 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820020147 1443640698 /nfs/dbraw/zinc/64/06/98/1443640698.db2.gz CELKCXQFBADIHT-WOJBJXKFSA-N 0 1 383.471 3.238 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736458227 1443644978 /nfs/dbraw/zinc/64/49/78/1443644978.db2.gz XOUTXKDEJLLOBN-GFCCVEGCSA-N 0 1 383.422 3.347 20 0 GGADMN CCCC[N@@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736458227 1443644980 /nfs/dbraw/zinc/64/49/80/1443644980.db2.gz XOUTXKDEJLLOBN-GFCCVEGCSA-N 0 1 383.422 3.347 20 0 GGADMN CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736458227 1443644982 /nfs/dbraw/zinc/64/49/82/1443644982.db2.gz XOUTXKDEJLLOBN-GFCCVEGCSA-N 0 1 383.422 3.347 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000824577141 1443658756 /nfs/dbraw/zinc/65/87/56/1443658756.db2.gz HGPKTDBPKRAVQP-GXTWGEPZSA-N 0 1 390.463 3.056 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000737031318 1443664841 /nfs/dbraw/zinc/66/48/41/1443664841.db2.gz FPHXRXFCFCIWID-IBGZPJMESA-N 0 1 393.491 3.351 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000737031318 1443664843 /nfs/dbraw/zinc/66/48/43/1443664843.db2.gz FPHXRXFCFCIWID-IBGZPJMESA-N 0 1 393.491 3.351 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000737031318 1443664845 /nfs/dbraw/zinc/66/48/45/1443664845.db2.gz FPHXRXFCFCIWID-IBGZPJMESA-N 0 1 393.491 3.351 20 0 GGADMN Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n(-c2ccccc2)n1 ZINC000822199719 1443666067 /nfs/dbraw/zinc/66/60/67/1443666067.db2.gz FQFPGDWGIIJEBN-CYBMUJFWSA-N 0 1 379.493 3.143 20 0 GGADMN COc1cc(OC)cc(OCCC[N@@H+](C)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821724816 1443668697 /nfs/dbraw/zinc/66/86/97/1443668697.db2.gz YTGRZMXEMDPBAA-HNNXBMFYSA-N 0 1 397.479 3.346 20 0 GGADMN COc1cc(OC)cc(OCCC[N@H+](C)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821724816 1443668699 /nfs/dbraw/zinc/66/86/99/1443668699.db2.gz YTGRZMXEMDPBAA-HNNXBMFYSA-N 0 1 397.479 3.346 20 0 GGADMN COc1cc(OC)cc(OCCC[N@@H+](C)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821724816 1443668701 /nfs/dbraw/zinc/66/87/01/1443668701.db2.gz YTGRZMXEMDPBAA-HNNXBMFYSA-N 0 1 397.479 3.346 20 0 GGADMN Cc1cc[nH+]c(N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1-c1nnn[n-]1 ZINC000826309307 1443669731 /nfs/dbraw/zinc/66/97/31/1443669731.db2.gz KVKPFCZLKNKVMS-QGZVFWFLSA-N 0 1 392.488 3.372 20 0 GGADMN COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1-c1nnn[n-]1 ZINC000821802972 1443678216 /nfs/dbraw/zinc/67/82/16/1443678216.db2.gz AFGGCZPDPRARPU-AWEZNQCLSA-N 0 1 389.463 3.220 20 0 GGADMN COc1ccc(OC)c(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)c1 ZINC000737109971 1443681423 /nfs/dbraw/zinc/68/14/23/1443681423.db2.gz QNZPIDYBNPHKSA-UHFFFAOYSA-N 0 1 390.447 3.083 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736226913 1443682091 /nfs/dbraw/zinc/68/20/91/1443682091.db2.gz JHVTVMDEYVOZLL-BETUJISGSA-N 0 1 397.449 3.451 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736226913 1443682093 /nfs/dbraw/zinc/68/20/93/1443682093.db2.gz JHVTVMDEYVOZLL-BETUJISGSA-N 0 1 397.449 3.451 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736226913 1443682096 /nfs/dbraw/zinc/68/20/96/1443682096.db2.gz JHVTVMDEYVOZLL-BETUJISGSA-N 0 1 397.449 3.451 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)CCc1cccs1 ZINC000819865399 1443689513 /nfs/dbraw/zinc/68/95/13/1443689513.db2.gz DXLKKOPYVWADDS-LLVKDONJSA-N 0 1 390.900 3.083 20 0 GGADMN C[NH+](C)[C@H](CNc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(Cl)cc1 ZINC000821580973 1443696289 /nfs/dbraw/zinc/69/62/89/1443696289.db2.gz ADQMEZHWOPOHKA-QGZVFWFLSA-N 0 1 383.887 3.119 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)c(Cl)c1 ZINC000826159042 1443705625 /nfs/dbraw/zinc/70/56/25/1443705625.db2.gz OANVYSJRFPKBCU-UHFFFAOYSA-N 0 1 375.835 3.308 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736400961 1443711351 /nfs/dbraw/zinc/71/13/51/1443711351.db2.gz TYTVDVQARLVLTG-LJQANCHMSA-N 0 1 399.543 3.051 20 0 GGADMN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736400961 1443711354 /nfs/dbraw/zinc/71/13/54/1443711354.db2.gz TYTVDVQARLVLTG-LJQANCHMSA-N 0 1 399.543 3.051 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736400961 1443711358 /nfs/dbraw/zinc/71/13/58/1443711358.db2.gz TYTVDVQARLVLTG-LJQANCHMSA-N 0 1 399.543 3.051 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736265437 1443711426 /nfs/dbraw/zinc/71/14/26/1443711426.db2.gz APNOUBZHXJFHTE-RTBURBONSA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736265437 1443711442 /nfs/dbraw/zinc/71/14/42/1443711442.db2.gz APNOUBZHXJFHTE-RTBURBONSA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736265437 1443711446 /nfs/dbraw/zinc/71/14/46/1443711446.db2.gz APNOUBZHXJFHTE-RTBURBONSA-N 0 1 398.555 3.222 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736949826 1443711605 /nfs/dbraw/zinc/71/16/05/1443711605.db2.gz HDISOBNIGKYZKJ-UHFFFAOYSA-N 0 1 383.427 3.203 20 0 GGADMN COC(=O)c1cc(F)ccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736949826 1443711609 /nfs/dbraw/zinc/71/16/09/1443711609.db2.gz HDISOBNIGKYZKJ-UHFFFAOYSA-N 0 1 383.427 3.203 20 0 GGADMN CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735748052 1443711886 /nfs/dbraw/zinc/71/18/86/1443711886.db2.gz GYPTVVMYQRNHNA-MRXNPFEDSA-N 0 1 376.892 3.359 20 0 GGADMN CC(C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735748052 1443711890 /nfs/dbraw/zinc/71/18/90/1443711890.db2.gz GYPTVVMYQRNHNA-MRXNPFEDSA-N 0 1 376.892 3.359 20 0 GGADMN CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735748052 1443711894 /nfs/dbraw/zinc/71/18/94/1443711894.db2.gz GYPTVVMYQRNHNA-MRXNPFEDSA-N 0 1 376.892 3.359 20 0 GGADMN C[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)Cc1cc2ccccc2o1 ZINC000821598264 1443722881 /nfs/dbraw/zinc/72/28/81/1443722881.db2.gz WMFCWWVOYAYBHB-UHFFFAOYSA-N 0 1 376.420 3.074 20 0 GGADMN Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822581238 1443723091 /nfs/dbraw/zinc/72/30/91/1443723091.db2.gz FJABIRAXNXSTKA-GOSISDBHSA-N 0 1 395.898 3.161 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000822595753 1443729806 /nfs/dbraw/zinc/72/98/06/1443729806.db2.gz CQPLMCIXRFZUAS-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737033161 1443738914 /nfs/dbraw/zinc/73/89/14/1443738914.db2.gz REHYAWXDLAFGJQ-FUHWJXTLSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737033161 1443738918 /nfs/dbraw/zinc/73/89/18/1443738918.db2.gz REHYAWXDLAFGJQ-FUHWJXTLSA-N 0 1 393.491 3.441 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000737033161 1443738920 /nfs/dbraw/zinc/73/89/20/1443738920.db2.gz REHYAWXDLAFGJQ-FUHWJXTLSA-N 0 1 393.491 3.441 20 0 GGADMN Fc1ccc(Br)cc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000822761304 1443740240 /nfs/dbraw/zinc/74/02/40/1443740240.db2.gz HIWUIDPRDFSILW-UHFFFAOYSA-N 0 1 382.262 3.162 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1sccc1-c1nnn[n-]1)[NH2+][C@H](C)c1ccccc1 ZINC000735773691 1443746229 /nfs/dbraw/zinc/74/62/29/1443746229.db2.gz XWQIFXAAVVGOOX-ZBFHGGJFSA-N 0 1 398.536 3.424 20 0 GGADMN Cc1nc(C2([NH2+]CCCOc3ccc(-c4nnn[n-]4)cc3)CCCCCC2)no1 ZINC000737474138 1443767521 /nfs/dbraw/zinc/76/75/21/1443767521.db2.gz LYTQYFLYXADWQW-UHFFFAOYSA-N 0 1 397.483 3.166 20 0 GGADMN C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612286 1443776299 /nfs/dbraw/zinc/77/62/99/1443776299.db2.gz MCJCTDSUTXGOOK-HNNXBMFYSA-N 0 1 380.471 3.452 20 0 GGADMN C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612286 1443776303 /nfs/dbraw/zinc/77/63/03/1443776303.db2.gz MCJCTDSUTXGOOK-HNNXBMFYSA-N 0 1 380.471 3.452 20 0 GGADMN Clc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822585683 1443780730 /nfs/dbraw/zinc/78/07/30/1443780730.db2.gz KMUOXIJGHSFYBN-GOSISDBHSA-N 0 1 395.898 3.161 20 0 GGADMN COc1cc(C)c(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1OC ZINC000826178241 1443784579 /nfs/dbraw/zinc/78/45/79/1443784579.db2.gz PIOKAOAZNDGJGV-UHFFFAOYSA-N 0 1 391.475 3.482 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000737033603 1443786355 /nfs/dbraw/zinc/78/63/55/1443786355.db2.gz YZMWFAYTRNXBBJ-UHFFFAOYSA-N 0 1 387.871 3.432 20 0 GGADMN CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(Cl)cc1 ZINC000821164989 1443795430 /nfs/dbraw/zinc/79/54/30/1443795430.db2.gz MQZDPJVUFCVTHW-UHFFFAOYSA-N 0 1 388.859 3.191 20 0 GGADMN CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(Cl)cc1 ZINC000821164989 1443795433 /nfs/dbraw/zinc/79/54/33/1443795433.db2.gz MQZDPJVUFCVTHW-UHFFFAOYSA-N 0 1 388.859 3.191 20 0 GGADMN Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826298868 1443796978 /nfs/dbraw/zinc/79/69/78/1443796978.db2.gz JJXDGDSWJLMAKS-INIZCTEOSA-N 0 1 388.475 3.291 20 0 GGADMN Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826298868 1443796981 /nfs/dbraw/zinc/79/69/81/1443796981.db2.gz JJXDGDSWJLMAKS-INIZCTEOSA-N 0 1 388.475 3.291 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000737407455 1443798163 /nfs/dbraw/zinc/79/81/63/1443798163.db2.gz BJDDLGNPNSEULF-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000737407455 1443798164 /nfs/dbraw/zinc/79/81/64/1443798164.db2.gz BJDDLGNPNSEULF-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000737407455 1443798170 /nfs/dbraw/zinc/79/81/70/1443798170.db2.gz BJDDLGNPNSEULF-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN c1ccc(OC[C@H]2CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)C2)cc1 ZINC000826522986 1443805798 /nfs/dbraw/zinc/80/57/98/1443805798.db2.gz WCZSWAAIDWWXLX-HNNXBMFYSA-N 0 1 376.464 3.046 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2nnn[n-]2)c1 ZINC000737647470 1443809772 /nfs/dbraw/zinc/80/97/72/1443809772.db2.gz DWOREZSANJUVHH-KRWDZBQOSA-N 0 1 381.411 3.114 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000819945750 1443812268 /nfs/dbraw/zinc/81/22/68/1443812268.db2.gz BXNUUFOQOFEZKF-UHFFFAOYSA-N 0 1 384.440 3.139 20 0 GGADMN COc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826194005 1443828247 /nfs/dbraw/zinc/82/82/47/1443828247.db2.gz XCOXJVJZUNRJQW-UHFFFAOYSA-N 0 1 391.475 3.279 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@H+](CC3CC3)C3CCCCC3)o2)c1 ZINC000823738022 1443832145 /nfs/dbraw/zinc/83/21/45/1443832145.db2.gz NDYDLZXQDOPFOJ-UHFFFAOYSA-N 0 1 379.468 3.461 20 0 GGADMN c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001139092522 1443839744 /nfs/dbraw/zinc/83/97/44/1443839744.db2.gz SVWPJWXAKXWNPX-FCHUYYIVSA-N 0 1 389.503 3.479 20 0 GGADMN CO[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000826147099 1443840281 /nfs/dbraw/zinc/84/02/81/1443840281.db2.gz NOQVEHYPQFBBEH-IBGZPJMESA-N 0 1 379.464 3.057 20 0 GGADMN COc1cccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1OC ZINC000826216177 1443847796 /nfs/dbraw/zinc/84/77/96/1443847796.db2.gz NGDLCNKQVTUPMY-SFHVURJKSA-N 0 1 379.464 3.094 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1-c1nnn[n-]1 ZINC000826332153 1443855740 /nfs/dbraw/zinc/85/57/40/1443855740.db2.gz LKGBYTVHTJCUND-HNNXBMFYSA-N 0 1 389.463 3.259 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1-c1nnn[n-]1 ZINC000826332153 1443855742 /nfs/dbraw/zinc/85/57/42/1443855742.db2.gz LKGBYTVHTJCUND-HNNXBMFYSA-N 0 1 389.463 3.259 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1-c1nnn[n-]1 ZINC000826202887 1443862101 /nfs/dbraw/zinc/86/21/01/1443862101.db2.gz RENMYLXMNBGDRW-UHFFFAOYSA-N 0 1 381.408 3.214 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(c2cnc3[nH]cccc2-3)CC1 ZINC000737637787 1443867576 /nfs/dbraw/zinc/86/75/76/1443867576.db2.gz CSPIZOWCTDGTEA-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276206 1443873549 /nfs/dbraw/zinc/87/35/49/1443873549.db2.gz XNLVTOKRMLVZHW-FUHWJXTLSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000826276206 1443873552 /nfs/dbraw/zinc/87/35/52/1443873552.db2.gz XNLVTOKRMLVZHW-FUHWJXTLSA-N 0 1 377.496 3.283 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000826276206 1443873555 /nfs/dbraw/zinc/87/35/55/1443873555.db2.gz XNLVTOKRMLVZHW-FUHWJXTLSA-N 0 1 377.496 3.283 20 0 GGADMN Fc1cccc(NCC2([NH+]3CCSCC3)CCCCC2)c1-c1nn[n-]n1 ZINC000737665595 1443875631 /nfs/dbraw/zinc/87/56/31/1443875631.db2.gz SJWREESHXQSYOE-UHFFFAOYSA-N 0 1 376.505 3.169 20 0 GGADMN Brc1ccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000823827178 1443904029 /nfs/dbraw/zinc/90/40/29/1443904029.db2.gz VYYKYZOVFDWGDO-UHFFFAOYSA-N 0 1 395.264 3.467 20 0 GGADMN C[N@@H+](Cc1cc(Br)cs1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821607366 1443914391 /nfs/dbraw/zinc/91/43/91/1443914391.db2.gz LQRZOIDIFBLJAC-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824605564 1443916867 /nfs/dbraw/zinc/91/68/67/1443916867.db2.gz KGXRXUGYHVXPEL-AWEZNQCLSA-N 0 1 377.427 3.085 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554060 1443922680 /nfs/dbraw/zinc/92/26/80/1443922680.db2.gz MEKRVWJFUGMROR-RISCZKNCSA-N 0 1 388.397 3.214 20 0 GGADMN Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)n(-c2ccccc2)n1 ZINC000822200172 1443923073 /nfs/dbraw/zinc/92/30/73/1443923073.db2.gz XBBVOYQSUQLAHH-CQSZACIVSA-N 0 1 391.454 3.221 20 0 GGADMN Cc1cccc2c(NC[C@@H]3CCCO[C@H]3C(C)(C)C)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822337544 1443931893 /nfs/dbraw/zinc/93/18/93/1443931893.db2.gz YDNTXRPJJHRDEF-IFXJQAMLSA-N 0 1 380.496 3.398 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823675354 1443935885 /nfs/dbraw/zinc/93/58/85/1443935885.db2.gz WGFJBORIVCRVAC-FPOVZHCZSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823675354 1443935886 /nfs/dbraw/zinc/93/58/86/1443935886.db2.gz WGFJBORIVCRVAC-FPOVZHCZSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823675354 1443935890 /nfs/dbraw/zinc/93/58/90/1443935890.db2.gz WGFJBORIVCRVAC-FPOVZHCZSA-N 0 1 393.491 3.224 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596830 1443936818 /nfs/dbraw/zinc/93/68/18/1443936818.db2.gz VREGLIKOXJCZKG-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822596830 1443936821 /nfs/dbraw/zinc/93/68/21/1443936821.db2.gz VREGLIKOXJCZKG-SFHVURJKSA-N 0 1 377.427 3.230 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820702887 1443939008 /nfs/dbraw/zinc/93/90/08/1443939008.db2.gz AZACSHLHQVAMAV-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820702887 1443939012 /nfs/dbraw/zinc/93/90/12/1443939012.db2.gz AZACSHLHQVAMAV-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820702887 1443939014 /nfs/dbraw/zinc/93/90/14/1443939014.db2.gz AZACSHLHQVAMAV-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736294320 1443939506 /nfs/dbraw/zinc/93/95/06/1443939506.db2.gz QYDCPRIKPDNAIX-GUXCAODWSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1ccccc1-c1nnn[n-]1 ZINC000736294320 1443939507 /nfs/dbraw/zinc/93/95/07/1443939507.db2.gz QYDCPRIKPDNAIX-GUXCAODWSA-N 0 1 379.464 3.096 20 0 GGADMN CC(C)Oc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820252585 1443945690 /nfs/dbraw/zinc/94/56/90/1443945690.db2.gz CCNJUEONYKAICQ-KKSFZXQISA-N 0 1 395.507 3.298 20 0 GGADMN C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824533206 1443946844 /nfs/dbraw/zinc/94/68/44/1443946844.db2.gz ZTPYRGONYHSJTF-QVKFZJNVSA-N 0 1 398.470 3.411 20 0 GGADMN CC[C@@H](O)CCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820932312 1443954060 /nfs/dbraw/zinc/95/40/60/1443954060.db2.gz MTYLLMBGGXJRGG-GOSISDBHSA-N 0 1 381.480 3.086 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCCCC1 ZINC000736766850 1443973517 /nfs/dbraw/zinc/97/35/17/1443973517.db2.gz GDOOYLFYOVCJEH-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438149 1443976507 /nfs/dbraw/zinc/97/65/07/1443976507.db2.gz JJNWSPBEVDQQBO-OAHLLOKOSA-N 0 1 385.475 3.392 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000820727926 1443979218 /nfs/dbraw/zinc/97/92/18/1443979218.db2.gz QTSJTTCZJJCMNA-KBRIMQKVSA-N 0 1 379.468 3.317 20 0 GGADMN C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824537276 1443982332 /nfs/dbraw/zinc/98/23/32/1443982332.db2.gz DAAZUTVTXBGPEU-RBZFPXEDSA-N 0 1 377.448 3.440 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822946592 1443983538 /nfs/dbraw/zinc/98/35/38/1443983538.db2.gz YVYXFNGXGYMVML-INIZCTEOSA-N 0 1 397.504 3.435 20 0 GGADMN O=C(C[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822946592 1443983541 /nfs/dbraw/zinc/98/35/41/1443983541.db2.gz YVYXFNGXGYMVML-INIZCTEOSA-N 0 1 397.504 3.435 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822946592 1443983544 /nfs/dbraw/zinc/98/35/44/1443983544.db2.gz YVYXFNGXGYMVML-INIZCTEOSA-N 0 1 397.504 3.435 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1-c1nnn[n-]1 ZINC000822084548 1443984548 /nfs/dbraw/zinc/98/45/48/1443984548.db2.gz MPKHSRIMONOIOX-KRWDZBQOSA-N 0 1 397.527 3.295 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822369907 1443991629 /nfs/dbraw/zinc/99/16/29/1443991629.db2.gz OTPHAYPDOZELBR-MRXNPFEDSA-N 0 1 399.524 3.174 20 0 GGADMN O=C(CC[N@H+](Cc1ccc(F)cc1F)C1CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822965026 1443996367 /nfs/dbraw/zinc/99/63/67/1443996367.db2.gz XHDJDTJRFXDJBM-UHFFFAOYSA-N 0 1 398.417 3.138 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1Cl ZINC000824544854 1444005326 /nfs/dbraw/zinc/00/53/26/1444005326.db2.gz ADEYPWVNNUMHOS-FZKQIMNGSA-N 0 1 396.882 3.366 20 0 GGADMN Cc1cccc(C2(O)CC[NH+](Cc3ccc(F)cc3-c3nn[n-]n3)CC2)c1C ZINC000737387927 1444007021 /nfs/dbraw/zinc/00/70/21/1444007021.db2.gz BUJGETSQEDVOJF-UHFFFAOYSA-N 0 1 381.455 3.106 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820641113 1444009515 /nfs/dbraw/zinc/00/95/15/1444009515.db2.gz AFUPTORSACXLNM-QFBILLFUSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820641113 1444009518 /nfs/dbraw/zinc/00/95/18/1444009518.db2.gz AFUPTORSACXLNM-QFBILLFUSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820641113 1444009523 /nfs/dbraw/zinc/00/95/23/1444009523.db2.gz AFUPTORSACXLNM-QFBILLFUSA-N 0 1 390.491 3.148 20 0 GGADMN c1ccc(C2CC([NH2+]C3CCC(Oc4ccc(-c5nnn[n-]5)cn4)CC3)C2)cc1 ZINC000826520562 1444015988 /nfs/dbraw/zinc/01/59/88/1444015988.db2.gz MPQBKXPXDAHJOK-UHFFFAOYSA-N 0 1 390.491 3.488 20 0 GGADMN CCc1nc2ccccc2n1CC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825750016 1444023035 /nfs/dbraw/zinc/02/30/35/1444023035.db2.gz IJSVKGASHHLIBB-GOSISDBHSA-N 0 1 387.491 3.446 20 0 GGADMN CCOc1cc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cc(Cl)c1OC ZINC000821394975 1444024829 /nfs/dbraw/zinc/02/48/29/1444024829.db2.gz RQIGKPALVYIBMF-UHFFFAOYSA-N 0 1 391.834 3.356 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1-c1nnn[n-]1 ZINC000826194289 1444028600 /nfs/dbraw/zinc/02/86/00/1444028600.db2.gz HUNJPPIQELAZPJ-ZBFHGGJFSA-N 0 1 385.493 3.025 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1-c1nn[n-]n1 ZINC000826194289 1444028603 /nfs/dbraw/zinc/02/86/03/1444028603.db2.gz HUNJPPIQELAZPJ-ZBFHGGJFSA-N 0 1 385.493 3.025 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1-c1nn[n-]n1 ZINC000826194289 1444028606 /nfs/dbraw/zinc/02/86/06/1444028606.db2.gz HUNJPPIQELAZPJ-ZBFHGGJFSA-N 0 1 385.493 3.025 20 0 GGADMN C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824546707 1444028664 /nfs/dbraw/zinc/02/86/64/1444028664.db2.gz KDPLNTBGQBHGBJ-CVEARBPZSA-N 0 1 377.496 3.138 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737428676 1444030231 /nfs/dbraw/zinc/03/02/31/1444030231.db2.gz SRZUOVDVUBXLDZ-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1ccccc1C[N@@H+]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737428676 1444030233 /nfs/dbraw/zinc/03/02/33/1444030233.db2.gz SRZUOVDVUBXLDZ-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737428676 1444030237 /nfs/dbraw/zinc/03/02/37/1444030237.db2.gz SRZUOVDVUBXLDZ-UHFFFAOYSA-N 0 1 399.502 3.436 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826321338 1444035349 /nfs/dbraw/zinc/03/53/49/1444035349.db2.gz BMHAVMDLYYQERT-CQSZACIVSA-N 0 1 389.410 3.145 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826321338 1444035351 /nfs/dbraw/zinc/03/53/51/1444035351.db2.gz BMHAVMDLYYQERT-CQSZACIVSA-N 0 1 389.410 3.145 20 0 GGADMN CCO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000821369206 1446086229 /nfs/dbraw/zinc/08/62/29/1446086229.db2.gz XRVJBBXPLAXBQO-OAQYLSRUSA-N 0 1 393.491 3.447 20 0 GGADMN CC(C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)[NH+]1CCC(C)CC1 ZINC000736275915 1446095168 /nfs/dbraw/zinc/09/51/68/1446095168.db2.gz KYALDMJNCPIDAU-CQSZACIVSA-N 0 1 397.449 3.449 20 0 GGADMN CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736535906 1446101553 /nfs/dbraw/zinc/10/15/53/1446101553.db2.gz YBOOMCUSCVKRCU-HNAYVOBHSA-N 0 1 392.463 3.275 20 0 GGADMN CC[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736535906 1446101554 /nfs/dbraw/zinc/10/15/54/1446101554.db2.gz YBOOMCUSCVKRCU-HNAYVOBHSA-N 0 1 392.463 3.275 20 0 GGADMN CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736535906 1446101559 /nfs/dbraw/zinc/10/15/59/1446101559.db2.gz YBOOMCUSCVKRCU-HNAYVOBHSA-N 0 1 392.463 3.275 20 0 GGADMN CCCCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736450967 1446102456 /nfs/dbraw/zinc/10/24/56/1446102456.db2.gz CYSGVPIFDSWJBT-UHFFFAOYSA-N 0 1 398.555 3.347 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@@H](CNc3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823780047 1446109188 /nfs/dbraw/zinc/10/91/88/1446109188.db2.gz NCGPALCETGFGAP-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@@H+]2CC[C@@H](CNc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823780047 1446109189 /nfs/dbraw/zinc/10/91/89/1446109189.db2.gz NCGPALCETGFGAP-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@@H](CNc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823780047 1446109193 /nfs/dbraw/zinc/10/91/93/1446109193.db2.gz NCGPALCETGFGAP-SFHVURJKSA-N 0 1 399.502 3.391 20 0 GGADMN CC1CCN([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c2cccs2)CC1 ZINC000820722895 1446138036 /nfs/dbraw/zinc/13/80/36/1446138036.db2.gz RDNBSHSWJZUYHP-GOSISDBHSA-N 0 1 382.537 3.491 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736126016 1446140140 /nfs/dbraw/zinc/14/01/40/1446140140.db2.gz LNJQIMOAOPYRHC-FIFPYPGSSA-N 0 1 390.491 3.126 20 0 GGADMN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824599956 1446148164 /nfs/dbraw/zinc/14/81/64/1446148164.db2.gz UYPDYKITXGTCMP-KKSFZXQISA-N 0 1 393.491 3.380 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+](Cc1ccccc1)CC(C)C ZINC000737031811 1446149298 /nfs/dbraw/zinc/14/92/98/1446149298.db2.gz HRTZRTMJFWVKKD-UHFFFAOYSA-N 0 1 381.480 3.412 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000737031811 1446149303 /nfs/dbraw/zinc/14/93/03/1446149303.db2.gz HRTZRTMJFWVKKD-UHFFFAOYSA-N 0 1 381.480 3.412 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](Cc1ccccc1)CC(C)C ZINC000737031811 1446149309 /nfs/dbraw/zinc/14/93/09/1446149309.db2.gz HRTZRTMJFWVKKD-UHFFFAOYSA-N 0 1 381.480 3.412 20 0 GGADMN CS[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000826225752 1446149458 /nfs/dbraw/zinc/14/94/58/1446149458.db2.gz JZKKZOLACNGZQF-MRXNPFEDSA-N 0 1 385.541 3.135 20 0 GGADMN CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000825290662 1446158388 /nfs/dbraw/zinc/15/83/88/1446158388.db2.gz DHOMLOLXWUIZHQ-CQSZACIVSA-N 0 1 382.468 3.300 20 0 GGADMN COc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCCCC2)cc1OC ZINC000821782417 1446162029 /nfs/dbraw/zinc/16/20/29/1446162029.db2.gz DZJDNMYUCMVBAV-UHFFFAOYSA-N 0 1 397.479 3.469 20 0 GGADMN CC1(C)C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000824807243 1446164310 /nfs/dbraw/zinc/16/43/10/1446164310.db2.gz GWPDYIJKELSRPW-UHFFFAOYSA-N 0 1 382.493 3.050 20 0 GGADMN CC1(C)C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824807243 1446164315 /nfs/dbraw/zinc/16/43/15/1446164315.db2.gz GWPDYIJKELSRPW-UHFFFAOYSA-N 0 1 382.493 3.050 20 0 GGADMN CC1(C)C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000824807243 1446164320 /nfs/dbraw/zinc/16/43/20/1446164320.db2.gz GWPDYIJKELSRPW-UHFFFAOYSA-N 0 1 382.493 3.050 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000826168199 1446165579 /nfs/dbraw/zinc/16/55/79/1446165579.db2.gz FPOKYXRSOCYQEL-UHFFFAOYSA-N 0 1 378.461 3.084 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000825434680 1446168511 /nfs/dbraw/zinc/16/85/11/1446168511.db2.gz DMERDUVMCULRKS-UHFFFAOYSA-N 0 1 378.480 3.374 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000825434680 1446168515 /nfs/dbraw/zinc/16/85/15/1446168515.db2.gz DMERDUVMCULRKS-UHFFFAOYSA-N 0 1 378.480 3.374 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000825434680 1446168517 /nfs/dbraw/zinc/16/85/17/1446168517.db2.gz DMERDUVMCULRKS-UHFFFAOYSA-N 0 1 378.480 3.374 20 0 GGADMN c1ccc(-n2nc(C[NH2+]C3(c4cccc(-c5nnn[n-]5)c4)CC3)c3c2CCC3)cc1 ZINC000826519763 1446173624 /nfs/dbraw/zinc/17/36/24/1446173624.db2.gz MWJDXLDCZZOMPM-UHFFFAOYSA-N 0 1 397.486 3.320 20 0 GGADMN C[C@@H]1CN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C[C@@H](c2ccccc2)O1 ZINC000825000469 1446185966 /nfs/dbraw/zinc/18/59/66/1446185966.db2.gz QVIOPJPZSPXTNX-KUHUBIRLSA-N 0 1 376.464 3.107 20 0 GGADMN CC1(C)c2ccccc2CC[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824819315 1446186211 /nfs/dbraw/zinc/18/62/11/1446186211.db2.gz ZWIFEQZBSMXHHT-UHFFFAOYSA-N 0 1 387.447 3.210 20 0 GGADMN CC1(C)c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824819315 1446186216 /nfs/dbraw/zinc/18/62/16/1446186216.db2.gz ZWIFEQZBSMXHHT-UHFFFAOYSA-N 0 1 387.447 3.210 20 0 GGADMN Clc1ccccc1C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC000822586434 1446204078 /nfs/dbraw/zinc/20/40/78/1446204078.db2.gz YOEKMLPWAOXMRL-UHFFFAOYSA-N 0 1 389.912 3.420 20 0 GGADMN Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822233261 1446205170 /nfs/dbraw/zinc/20/51/70/1446205170.db2.gz LLJICFWUQOFJBP-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233261 1446205173 /nfs/dbraw/zinc/20/51/73/1446205173.db2.gz LLJICFWUQOFJBP-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822233261 1446205178 /nfs/dbraw/zinc/20/51/78/1446205178.db2.gz LLJICFWUQOFJBP-LJQANCHMSA-N 0 1 376.464 3.341 20 0 GGADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820642325 1446208791 /nfs/dbraw/zinc/20/87/91/1446208791.db2.gz IAEIEMSEWJYABM-BBRMVZONSA-N 0 1 396.882 3.337 20 0 GGADMN Cc1cc(C)cc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)C2)c1 ZINC000826264372 1446209943 /nfs/dbraw/zinc/20/99/43/1446209943.db2.gz LZAYQTDWSZYLOR-IRXDYDNUSA-N 0 1 390.491 3.300 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826191542 1446237012 /nfs/dbraw/zinc/23/70/12/1446237012.db2.gz JEBWEBPLTKWXFX-OAHLLOKOSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826191542 1446237015 /nfs/dbraw/zinc/23/70/15/1446237015.db2.gz JEBWEBPLTKWXFX-OAHLLOKOSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826191542 1446237016 /nfs/dbraw/zinc/23/70/16/1446237016.db2.gz JEBWEBPLTKWXFX-OAHLLOKOSA-N 0 1 381.480 3.195 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2sccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736228577 1446238787 /nfs/dbraw/zinc/23/87/87/1446238787.db2.gz OHTFVHMTDKXQAR-GDBMZVCRSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2sccc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736228577 1446238790 /nfs/dbraw/zinc/23/87/90/1446238790.db2.gz OHTFVHMTDKXQAR-GDBMZVCRSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)c2sccc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000736228577 1446238795 /nfs/dbraw/zinc/23/87/95/1446238795.db2.gz OHTFVHMTDKXQAR-GDBMZVCRSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C[C@@H]1C ZINC000820761625 1446239086 /nfs/dbraw/zinc/23/90/86/1446239086.db2.gz YSQOQYADOUUJNX-STQMWFEESA-N 0 1 388.541 3.114 20 0 GGADMN CC(=O)Nc1ccc([C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824000092 1446243927 /nfs/dbraw/zinc/24/39/27/1446243927.db2.gz UGXZRHHKSKFRGT-AWEZNQCLSA-N 0 1 396.520 3.409 20 0 GGADMN CC[NH+](CC)Cc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736530971 1446258979 /nfs/dbraw/zinc/25/89/79/1446258979.db2.gz AQBTUOILBNTDLK-UHFFFAOYSA-N 0 1 387.491 3.291 20 0 GGADMN Clc1ccccc1C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000737583380 1446263502 /nfs/dbraw/zinc/26/35/02/1446263502.db2.gz JYZMABOHLVEYIY-UHFFFAOYSA-N 0 1 383.883 3.358 20 0 GGADMN C[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821607439 1446275222 /nfs/dbraw/zinc/27/52/22/1446275222.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821607439 1446275226 /nfs/dbraw/zinc/27/52/26/1446275226.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cc(F)ccc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821607439 1446275230 /nfs/dbraw/zinc/27/52/30/1446275230.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821607439 1446275233 /nfs/dbraw/zinc/27/52/33/1446275233.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821607439 1446275239 /nfs/dbraw/zinc/27/52/39/1446275239.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821607439 1446275242 /nfs/dbraw/zinc/27/52/42/1446275242.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN CN(Cc1cc(F)ccc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821607439 1446275246 /nfs/dbraw/zinc/27/52/46/1446275246.db2.gz ONPMXTMBBAHMLW-IBGZPJMESA-N 0 1 380.471 3.102 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000822337541 1446293475 /nfs/dbraw/zinc/29/34/75/1446293475.db2.gz YAKZRLWAMAWBSI-GOSISDBHSA-N 0 1 390.422 3.440 20 0 GGADMN Cn1cc(C[NH2+]Cc2c(F)cccc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361816 1446300129 /nfs/dbraw/zinc/30/01/29/1446300129.db2.gz QMNPPVFUUHOVOE-UHFFFAOYSA-N 0 1 397.845 3.350 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(-c4nnn[n-]4)ccc3F)C2)cc1 ZINC000737086327 1446306056 /nfs/dbraw/zinc/30/60/56/1446306056.db2.gz HOLNLHFTSKQGIU-INIZCTEOSA-N 0 1 381.455 3.469 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@H+](Cc3cc(-c4nn[n-]n4)ccc3F)C2)cc1 ZINC000737086327 1446306060 /nfs/dbraw/zinc/30/60/60/1446306060.db2.gz HOLNLHFTSKQGIU-INIZCTEOSA-N 0 1 381.455 3.469 20 0 GGADMN COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(-c4nn[n-]n4)ccc3F)C2)cc1 ZINC000737086327 1446306065 /nfs/dbraw/zinc/30/60/65/1446306065.db2.gz HOLNLHFTSKQGIU-INIZCTEOSA-N 0 1 381.455 3.469 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000737637775 1446314913 /nfs/dbraw/zinc/31/49/13/1446314913.db2.gz CSLMJFAQTSVOIO-UHFFFAOYSA-N 0 1 397.845 3.194 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824576810 1446334094 /nfs/dbraw/zinc/33/40/94/1446334094.db2.gz DITPCDMKFHDZAT-CRAIPNDOSA-N 0 1 380.471 3.321 20 0 GGADMN COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821693567 1446367857 /nfs/dbraw/zinc/36/78/57/1446367857.db2.gz DUPKVYOUHWHAFI-GJZGRUSLSA-N 0 1 397.479 3.312 20 0 GGADMN C[C@H](OC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488651 1446368753 /nfs/dbraw/zinc/36/87/53/1446368753.db2.gz RDSRICAQWRZGJY-JXFKEZNVSA-N 0 1 391.475 3.383 20 0 GGADMN C[C@H](OC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488651 1446368757 /nfs/dbraw/zinc/36/87/57/1446368757.db2.gz RDSRICAQWRZGJY-JXFKEZNVSA-N 0 1 391.475 3.383 20 0 GGADMN C[C@H](OC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488651 1446368762 /nfs/dbraw/zinc/36/87/62/1446368762.db2.gz RDSRICAQWRZGJY-JXFKEZNVSA-N 0 1 391.475 3.383 20 0 GGADMN COc1ccc2[nH]cc(C3CCN(c4[nH+]c(C)ccc4-c4nnn[n-]4)CC3)c2c1 ZINC000826212616 1446372856 /nfs/dbraw/zinc/37/28/56/1446372856.db2.gz VSCZOBJIEIHORZ-UHFFFAOYSA-N 0 1 389.463 3.444 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826220566 1446376230 /nfs/dbraw/zinc/37/62/30/1446376230.db2.gz RSSVAWKUQGNMAO-HOTGVXAUSA-N 0 1 378.480 3.052 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569299 1446398469 /nfs/dbraw/zinc/39/84/69/1446398469.db2.gz GQGGNNJLYRVZAD-QFYYESIMSA-N 0 1 395.360 3.409 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824569944 1446401642 /nfs/dbraw/zinc/40/16/42/1446401642.db2.gz LDVJGMUYIYCPQS-BLLLJJGKSA-N 0 1 391.397 3.140 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824618978 1446409096 /nfs/dbraw/zinc/40/90/96/1446409096.db2.gz TXGBWLQMIIFBPG-KKSFZXQISA-N 0 1 393.491 3.282 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824938200 1446419526 /nfs/dbraw/zinc/41/95/26/1446419526.db2.gz UQJLMVJULPRHSW-RYUDHWBXSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938200 1446419531 /nfs/dbraw/zinc/41/95/31/1446419531.db2.gz UQJLMVJULPRHSW-RYUDHWBXSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938200 1446419535 /nfs/dbraw/zinc/41/95/35/1446419535.db2.gz UQJLMVJULPRHSW-RYUDHWBXSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@H]([NH2+]CCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000824591216 1446427579 /nfs/dbraw/zinc/42/75/79/1446427579.db2.gz IGFUPZYVYFFEOP-INIZCTEOSA-N 0 1 389.463 3.172 20 0 GGADMN C[C@@H]1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820722390 1446430808 /nfs/dbraw/zinc/43/08/08/1446430808.db2.gz IISZPFKFURZMFC-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820722390 1446430811 /nfs/dbraw/zinc/43/08/11/1446430811.db2.gz IISZPFKFURZMFC-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820722390 1446430812 /nfs/dbraw/zinc/43/08/12/1446430812.db2.gz IISZPFKFURZMFC-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1[nH+]ccc(C)c1-c1nnn[n-]1 ZINC000826306226 1446435768 /nfs/dbraw/zinc/43/57/68/1446435768.db2.gz SXLAWRDOYLFVIR-UHFFFAOYSA-N 0 1 388.479 3.317 20 0 GGADMN Cc1ccccc1[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1 ZINC000826306278 1446444073 /nfs/dbraw/zinc/44/40/73/1446444073.db2.gz UYXZXRRPVSCNFO-LJQANCHMSA-N 0 1 387.447 3.466 20 0 GGADMN Cc1cc(C)cc(C2=CC[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826264420 1446444233 /nfs/dbraw/zinc/44/42/33/1446444233.db2.gz NXQQQQIOESIGRL-NRFANRHFSA-N 0 1 375.476 3.306 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@@H](Nc3cnccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000826374812 1446444372 /nfs/dbraw/zinc/44/43/72/1446444372.db2.gz NBESXDQWQKYACH-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@@H](Nc3cnccc3-c3nnn[n-]3)C2)c(Cl)c1 ZINC000826374812 1446444373 /nfs/dbraw/zinc/44/43/73/1446444373.db2.gz NBESXDQWQKYACH-CQSZACIVSA-N 0 1 387.850 3.131 20 0 GGADMN CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825127925 1446458512 /nfs/dbraw/zinc/45/85/12/1446458512.db2.gz PWDQPCUYVZXTQC-INIZCTEOSA-N 0 1 397.479 3.003 20 0 GGADMN O[C@H](C[N@@H+]1CCc2c(ccc(Cl)c2Cl)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682220 1446461659 /nfs/dbraw/zinc/46/16/59/1446461659.db2.gz ONWQOOLQCNNBBL-MRXNPFEDSA-N 0 1 390.274 3.265 20 0 GGADMN O[C@H](C[N@H+]1CCc2c(ccc(Cl)c2Cl)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682220 1446461660 /nfs/dbraw/zinc/46/16/60/1446461660.db2.gz ONWQOOLQCNNBBL-MRXNPFEDSA-N 0 1 390.274 3.265 20 0 GGADMN CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736369516 1446486873 /nfs/dbraw/zinc/48/68/73/1446486873.db2.gz IDBLKMAVQBXYIS-MEDUHNTESA-N 0 1 386.406 3.213 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@@H]3CCCc4nc(C)ncc43)c2c1 ZINC000822195657 1446500825 /nfs/dbraw/zinc/50/08/25/1446500825.db2.gz ZRROTSJOKYEDDO-GOSISDBHSA-N 0 1 386.463 3.042 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820294886 1446514494 /nfs/dbraw/zinc/51/44/94/1446514494.db2.gz WHLKPTRQHGSTHW-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000826274808 1446514739 /nfs/dbraw/zinc/51/47/39/1446514739.db2.gz FUMZXZGZCGTCJP-CQSZACIVSA-N 0 1 383.887 3.107 20 0 GGADMN CC1(C)CC[C@H](C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)c2ccccc21 ZINC000824802719 1446520840 /nfs/dbraw/zinc/52/08/40/1446520840.db2.gz OWGCWAUTYCQVNZ-OAHLLOKOSA-N 0 1 387.491 3.459 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1-c1nn[n-]n1 ZINC000826352369 1446523359 /nfs/dbraw/zinc/52/33/59/1446523359.db2.gz YJBOTCJGIUHUQH-HLLBOEOZSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1-c1nnn[n-]1 ZINC000826352369 1446523364 /nfs/dbraw/zinc/52/33/64/1446523364.db2.gz YJBOTCJGIUHUQH-HLLBOEOZSA-N 0 1 395.898 3.238 20 0 GGADMN Clc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1-c1nnn[n-]1 ZINC000826352369 1446523368 /nfs/dbraw/zinc/52/33/68/1446523368.db2.gz YJBOTCJGIUHUQH-HLLBOEOZSA-N 0 1 395.898 3.238 20 0 GGADMN CC[NH+](CC)[C@@H]1CCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000821181066 1446528824 /nfs/dbraw/zinc/52/88/24/1446528824.db2.gz JIUATGRYVYCJFX-LJQANCHMSA-N 0 1 376.508 3.450 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccccc2N2CCCCC2)cc1-c1nn[n-]n1 ZINC000826202925 1446532152 /nfs/dbraw/zinc/53/21/52/1446532152.db2.gz SPJUTMJRPQCEAE-UHFFFAOYSA-N 0 1 378.480 3.155 20 0 GGADMN c1ccc2c(c1)CC[C@H]2C[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826523564 1446532759 /nfs/dbraw/zinc/53/27/59/1446532759.db2.gz QEINRYJRBDLJAX-SFHVURJKSA-N 0 1 375.476 3.440 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000824562807 1446541685 /nfs/dbraw/zinc/54/16/85/1446541685.db2.gz IWNIZXGMLIAHFL-MRVPVSSYSA-N 0 1 380.836 3.010 20 0 GGADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826328860 1446547152 /nfs/dbraw/zinc/54/71/52/1446547152.db2.gz HMCVNQBNJDODDQ-CQSZACIVSA-N 0 1 379.493 3.251 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683061 1446548503 /nfs/dbraw/zinc/54/85/03/1446548503.db2.gz XTBWGFQIEZJKMZ-MSOLQXFVSA-N 0 1 390.447 3.269 20 0 GGADMN CC(C)[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1 ZINC000820120643 1446554645 /nfs/dbraw/zinc/55/46/45/1446554645.db2.gz HIIJTDPGXJVVIF-UHFFFAOYSA-N 0 1 375.436 3.327 20 0 GGADMN CC(C)[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1 ZINC000820120643 1446554648 /nfs/dbraw/zinc/55/46/48/1446554648.db2.gz HIIJTDPGXJVVIF-UHFFFAOYSA-N 0 1 375.436 3.327 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000737032106 1446575688 /nfs/dbraw/zinc/57/56/88/1446575688.db2.gz HNDFSOZHGGROKM-LJQANCHMSA-N 0 1 385.443 3.380 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000737292507 1446579496 /nfs/dbraw/zinc/57/94/96/1446579496.db2.gz UKEISPPPWDKTCU-QGZVFWFLSA-N 0 1 397.527 3.295 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC([C@@H]4CCOC4)CC3)c2c1 ZINC000826263571 1446580073 /nfs/dbraw/zinc/58/00/73/1446580073.db2.gz HVQZOVXSSVEVFD-MRXNPFEDSA-N 0 1 378.480 3.285 20 0 GGADMN CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC000824756618 1446596822 /nfs/dbraw/zinc/59/68/22/1446596822.db2.gz PGFYGAJAFKMZST-CQSZACIVSA-N 0 1 376.530 3.046 20 0 GGADMN O[C@@H](C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000826510928 1446601707 /nfs/dbraw/zinc/60/17/07/1446601707.db2.gz SCADTRIMHLYZJL-IBGZPJMESA-N 0 1 399.882 3.097 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964876 1446648120 /nfs/dbraw/zinc/64/81/20/1446648120.db2.gz RQZBRJHUTDWDGF-FQEVSTJZSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964876 1446648125 /nfs/dbraw/zinc/64/81/25/1446648125.db2.gz RQZBRJHUTDWDGF-FQEVSTJZSA-N 0 1 388.475 3.347 20 0 GGADMN O=C(CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964876 1446648129 /nfs/dbraw/zinc/64/81/29/1446648129.db2.gz RQZBRJHUTDWDGF-FQEVSTJZSA-N 0 1 388.475 3.347 20 0 GGADMN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323545 1446659144 /nfs/dbraw/zinc/65/91/44/1446659144.db2.gz YEMMNBLNIPUPMG-UHFFFAOYSA-N 0 1 395.463 3.074 20 0 GGADMN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825323545 1446659148 /nfs/dbraw/zinc/65/91/48/1446659148.db2.gz YEMMNBLNIPUPMG-UHFFFAOYSA-N 0 1 395.463 3.074 20 0 GGADMN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825323545 1446659152 /nfs/dbraw/zinc/65/91/52/1446659152.db2.gz YEMMNBLNIPUPMG-UHFFFAOYSA-N 0 1 395.463 3.074 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000823826773 1446692728 /nfs/dbraw/zinc/69/27/28/1446692728.db2.gz OMXYFIXKULETQN-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000823826773 1446692729 /nfs/dbraw/zinc/69/27/29/1446692729.db2.gz OMXYFIXKULETQN-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN Brc1cc(-c2nn[n-]n2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000823826773 1446692730 /nfs/dbraw/zinc/69/27/30/1446692730.db2.gz OMXYFIXKULETQN-UHFFFAOYSA-N 0 1 391.317 3.084 20 0 GGADMN Brc1cccc2c1CN(c1[nH+]c3c(cc1-c1nnn[n-]1)CCC3)CC2 ZINC000735367946 1446692826 /nfs/dbraw/zinc/69/28/26/1446692826.db2.gz BWKVTVZIESHUGN-UHFFFAOYSA-N 0 1 397.280 3.076 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547809 1446698758 /nfs/dbraw/zinc/69/87/58/1446698758.db2.gz SIWOYSXRBZBLIM-YOEHRIQHSA-N 0 1 398.461 3.460 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826332087 1446714741 /nfs/dbraw/zinc/71/47/41/1446714741.db2.gz JQKWGJYJSWHFIY-UHFFFAOYSA-N 0 1 377.427 3.132 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826332087 1446714747 /nfs/dbraw/zinc/71/47/47/1446714747.db2.gz JQKWGJYJSWHFIY-UHFFFAOYSA-N 0 1 377.427 3.132 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763240 1446745607 /nfs/dbraw/zinc/74/56/07/1446745607.db2.gz LWXCOQUCDFDDQM-SWLSCSKDSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763240 1446745611 /nfs/dbraw/zinc/74/56/11/1446745611.db2.gz LWXCOQUCDFDDQM-SWLSCSKDSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000824763240 1446745613 /nfs/dbraw/zinc/74/56/13/1446745613.db2.gz LWXCOQUCDFDDQM-SWLSCSKDSA-N 0 1 391.401 3.480 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000826248044 1446767864 /nfs/dbraw/zinc/76/78/64/1446767864.db2.gz UVDAJWGPSZGCHC-OAHLLOKOSA-N 0 1 378.480 3.034 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(NCCCc2nc(-c3ccc(F)cc3)no2)[nH+]1 ZINC000826262937 1446768004 /nfs/dbraw/zinc/76/80/04/1446768004.db2.gz DQSPRPHJYOPFEZ-UHFFFAOYSA-N 0 1 394.414 3.112 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)[C@@H]2CCCC[C@H]12 ZINC000820728613 1446785567 /nfs/dbraw/zinc/78/55/67/1446785567.db2.gz XJSNJXFSFMAVEW-KBRIMQKVSA-N 0 1 379.468 3.317 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822964747 1446791590 /nfs/dbraw/zinc/79/15/90/1446791590.db2.gz OGCWNZFQVDYAEG-CQSZACIVSA-N 0 1 388.884 3.357 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822964747 1446791593 /nfs/dbraw/zinc/79/15/93/1446791593.db2.gz OGCWNZFQVDYAEG-CQSZACIVSA-N 0 1 388.884 3.357 20 0 GGADMN CCC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)Cc1ccc(OC)cc1 ZINC000736481193 1446801435 /nfs/dbraw/zinc/80/14/35/1446801435.db2.gz WILGTUILZGPJET-UHFFFAOYSA-N 0 1 397.479 3.175 20 0 GGADMN COc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000821813268 1446808667 /nfs/dbraw/zinc/80/86/67/1446808667.db2.gz COCZQABCBZYBDC-UHFFFAOYSA-N 0 1 375.432 3.197 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1Cl ZINC000820420549 1446815885 /nfs/dbraw/zinc/81/58/85/1446815885.db2.gz SRZRVLBQIALKQI-HZMBPMFUSA-N 0 1 388.884 3.038 20 0 GGADMN COc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826202476 1446815946 /nfs/dbraw/zinc/81/59/46/1446815946.db2.gz AZWLBKVYTUDRRQ-UHFFFAOYSA-N 0 1 379.342 3.064 20 0 GGADMN CC[N@@H+](CCOc1ccccc1-c1nnn[n-]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736541150 1446820397 /nfs/dbraw/zinc/82/03/97/1446820397.db2.gz DNILPSHFDIEUDC-MRXNPFEDSA-N 0 1 381.480 3.207 20 0 GGADMN CC[N@H+](CCOc1ccccc1-c1nn[n-]n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736541150 1446820401 /nfs/dbraw/zinc/82/04/01/1446820401.db2.gz DNILPSHFDIEUDC-MRXNPFEDSA-N 0 1 381.480 3.207 20 0 GGADMN CC[N@@H+](CCOc1ccccc1-c1nn[n-]n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736541150 1446820405 /nfs/dbraw/zinc/82/04/05/1446820405.db2.gz DNILPSHFDIEUDC-MRXNPFEDSA-N 0 1 381.480 3.207 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000824562369 1446829877 /nfs/dbraw/zinc/82/98/77/1446829877.db2.gz GHNZPBKFFAVLRK-VIFPVBQESA-N 0 1 392.797 3.088 20 0 GGADMN c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cc1 ZINC001139090312 1446837573 /nfs/dbraw/zinc/83/75/73/1446837573.db2.gz FGZNHWIRAIWVQK-IFMALSPDSA-N 0 1 375.476 3.405 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000736565902 1446864483 /nfs/dbraw/zinc/86/44/83/1446864483.db2.gz UBESLPASRKJTKO-DGCLKSJQSA-N 0 1 393.948 3.022 20 0 GGADMN CC[N@@H+]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000736565902 1446864486 /nfs/dbraw/zinc/86/44/86/1446864486.db2.gz UBESLPASRKJTKO-DGCLKSJQSA-N 0 1 393.948 3.022 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000736565902 1446864490 /nfs/dbraw/zinc/86/44/90/1446864490.db2.gz UBESLPASRKJTKO-DGCLKSJQSA-N 0 1 393.948 3.022 20 0 GGADMN COc1ccc(C2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3OC)CC2)cc1 ZINC000826191164 1446865277 /nfs/dbraw/zinc/86/52/77/1446865277.db2.gz YQGUPKQNYJEXFE-UHFFFAOYSA-N 0 1 379.464 3.264 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736321948 1446873188 /nfs/dbraw/zinc/87/31/88/1446873188.db2.gz GUSQQHXBHVYSPO-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736321948 1446873193 /nfs/dbraw/zinc/87/31/93/1446873193.db2.gz GUSQQHXBHVYSPO-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736321948 1446873197 /nfs/dbraw/zinc/87/31/97/1446873197.db2.gz GUSQQHXBHVYSPO-OAHLLOKOSA-N 0 1 394.479 3.119 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736238452 1446876209 /nfs/dbraw/zinc/87/62/09/1446876209.db2.gz ZEBTWTOCIGXABO-HIFRSBDPSA-N 0 1 396.882 3.337 20 0 GGADMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC000824690201 1446877771 /nfs/dbraw/zinc/87/77/71/1446877771.db2.gz QUEHQKZZOPJSEP-WMZOPIPTSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@H](O)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000824690201 1446877774 /nfs/dbraw/zinc/87/77/74/1446877774.db2.gz QUEHQKZZOPJSEP-WMZOPIPTSA-N 0 1 393.491 3.039 20 0 GGADMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000824690201 1446877777 /nfs/dbraw/zinc/87/77/77/1446877777.db2.gz QUEHQKZZOPJSEP-WMZOPIPTSA-N 0 1 393.491 3.039 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826304547 1446884100 /nfs/dbraw/zinc/88/41/00/1446884100.db2.gz PFHRJROEQYUMMB-HOTGVXAUSA-N 0 1 378.480 3.366 20 0 GGADMN COc1ccc(CC2CC[NH+](Cc3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000737089159 1446886096 /nfs/dbraw/zinc/88/60/96/1446886096.db2.gz VCEJNDQXZJZCBY-UHFFFAOYSA-N 0 1 381.455 3.469 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000826373286 1446907186 /nfs/dbraw/zinc/90/71/86/1446907186.db2.gz HBIFUUKJAWCMFJ-ACDBMABISA-N 0 1 392.482 3.291 20 0 GGADMN CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825740327 1446907863 /nfs/dbraw/zinc/90/78/63/1446907863.db2.gz RSLWTWJANYDDIX-NSHDSACASA-N 0 1 387.285 3.437 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820722933 1446916788 /nfs/dbraw/zinc/91/67/88/1446916788.db2.gz RTQJQTORQWBVIX-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820722933 1446916793 /nfs/dbraw/zinc/91/67/93/1446916793.db2.gz RTQJQTORQWBVIX-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820722933 1446916796 /nfs/dbraw/zinc/91/67/96/1446916796.db2.gz RTQJQTORQWBVIX-MRXNPFEDSA-N 0 1 380.471 3.102 20 0 GGADMN Oc1ccc(C2CCC([NH2+]CCOc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826510702 1446924622 /nfs/dbraw/zinc/92/46/22/1446924622.db2.gz GQBQVVQPMHVATP-UHFFFAOYSA-N 0 1 379.464 3.267 20 0 GGADMN Clc1nsc(N2CCC(C[NH+]3CCCCCC3)CC2)c1-c1nn[n-]n1 ZINC000822591990 1446929832 /nfs/dbraw/zinc/92/98/32/1446929832.db2.gz ZTANQICKWBZDDW-UHFFFAOYSA-N 0 1 381.937 3.069 20 0 GGADMN COc1cc(C)c(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826178491 1446936556 /nfs/dbraw/zinc/93/65/56/1446936556.db2.gz ZZUUKYDSZIONND-UHFFFAOYSA-N 0 1 399.520 3.215 20 0 GGADMN CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825420008 1446944223 /nfs/dbraw/zinc/94/42/23/1446944223.db2.gz XUQHSXYHAIQERR-OAHLLOKOSA-N 0 1 391.479 3.395 20 0 GGADMN CC[N@H+](CCCn1c2ccccc2[nH]c1=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825420008 1446944227 /nfs/dbraw/zinc/94/42/27/1446944227.db2.gz XUQHSXYHAIQERR-OAHLLOKOSA-N 0 1 391.479 3.395 20 0 GGADMN CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825420008 1446944230 /nfs/dbraw/zinc/94/42/30/1446944230.db2.gz XUQHSXYHAIQERR-OAHLLOKOSA-N 0 1 391.479 3.395 20 0 GGADMN C[C@H](O)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820473380 1446966122 /nfs/dbraw/zinc/96/61/22/1446966122.db2.gz BIGSJIFIHOLULM-INIZCTEOSA-N 0 1 395.507 3.332 20 0 GGADMN CCc1noc(CC)c1CNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc12 ZINC000821559146 1446966207 /nfs/dbraw/zinc/96/62/07/1446966207.db2.gz VQPINICBDXQFJL-UHFFFAOYSA-N 0 1 377.452 3.179 20 0 GGADMN CN(CCC[NH+](C)C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825859311 1446967810 /nfs/dbraw/zinc/96/78/10/1446967810.db2.gz DVXINPAZGQLYGB-UHFFFAOYSA-N 0 1 396.520 3.042 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)cc1-c1nn[n-]n1 ZINC000826202731 1446970011 /nfs/dbraw/zinc/97/00/11/1446970011.db2.gz LDEHPCQSTDZVDY-UHFFFAOYSA-N 0 1 380.839 3.367 20 0 GGADMN CC(C)C[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735827467 1446971102 /nfs/dbraw/zinc/97/11/02/1446971102.db2.gz NZAYJRDUWLSLPQ-MHZLTWQESA-N 0 1 383.521 3.133 20 0 GGADMN CC(C)C[N@H+](CC[S@](=O)c1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827467 1446971104 /nfs/dbraw/zinc/97/11/04/1446971104.db2.gz NZAYJRDUWLSLPQ-MHZLTWQESA-N 0 1 383.521 3.133 20 0 GGADMN CC(C)C[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735827467 1446971107 /nfs/dbraw/zinc/97/11/07/1446971107.db2.gz NZAYJRDUWLSLPQ-MHZLTWQESA-N 0 1 383.521 3.133 20 0 GGADMN C[C@@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)CO1 ZINC000820758773 1446980650 /nfs/dbraw/zinc/98/06/50/1446980650.db2.gz CROABCWJJVMSHE-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)CO1 ZINC000820758773 1446980651 /nfs/dbraw/zinc/98/06/51/1446980651.db2.gz CROABCWJJVMSHE-UZLBHIALSA-N 0 1 379.464 3.098 20 0 GGADMN O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc1)c1ccco1 ZINC000823323475 1446988719 /nfs/dbraw/zinc/98/87/19/1446988719.db2.gz PKQUBOWOTKZBBJ-UHFFFAOYSA-N 0 1 392.394 3.141 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)o1 ZINC000825703940 1446996206 /nfs/dbraw/zinc/99/62/06/1446996206.db2.gz AHABGPGKOSJMDO-MRXNPFEDSA-N 0 1 381.436 3.146 20 0 GGADMN COc1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)cc1-c1nn[n-]n1 ZINC000821818648 1446996418 /nfs/dbraw/zinc/99/64/18/1446996418.db2.gz WJDRWWJXJSOZHW-UHFFFAOYSA-N 0 1 392.232 3.067 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1F)c1ccco1 ZINC000826502499 1446996917 /nfs/dbraw/zinc/99/69/17/1446996917.db2.gz FAKZZOLHZWWWEL-SFHVURJKSA-N 0 1 393.422 3.335 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)CC3 ZINC000826293493 1447000480 /nfs/dbraw/zinc/00/04/80/1447000480.db2.gz QXBWCLBUNMVNGW-HNNXBMFYSA-N 0 1 376.439 3.443 20 0 GGADMN Fc1cc(-c2nn[n-]n2)ccc1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000822739833 1447004422 /nfs/dbraw/zinc/00/44/22/1447004422.db2.gz CYUOXJCNFIKIGS-IBGZPJMESA-N 0 1 380.471 3.150 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000822739833 1447004425 /nfs/dbraw/zinc/00/44/25/1447004425.db2.gz CYUOXJCNFIKIGS-IBGZPJMESA-N 0 1 380.471 3.150 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CNC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000822739833 1447004430 /nfs/dbraw/zinc/00/44/30/1447004430.db2.gz CYUOXJCNFIKIGS-IBGZPJMESA-N 0 1 380.471 3.150 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000736901362 1447026623 /nfs/dbraw/zinc/02/66/23/1447026623.db2.gz JZBZNPTZOMWYRR-XLIONFOSSA-N 0 1 391.475 3.036 20 0 GGADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC000824917150 1447027329 /nfs/dbraw/zinc/02/73/29/1447027329.db2.gz MEVIBNZYDKJHHP-BTYIYWSLSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@H]1CC[C@]2(CC[N@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917150 1447027333 /nfs/dbraw/zinc/02/73/33/1447027333.db2.gz MEVIBNZYDKJHHP-BTYIYWSLSA-N 0 1 377.496 3.279 20 0 GGADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3cn(C)nc3-c3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC000824917150 1447027340 /nfs/dbraw/zinc/02/73/40/1447027340.db2.gz MEVIBNZYDKJHHP-BTYIYWSLSA-N 0 1 377.496 3.279 20 0 GGADMN COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826211196 1447029985 /nfs/dbraw/zinc/02/99/85/1447029985.db2.gz STJOJMCTEUATPR-JTQLQIEISA-N 0 1 393.369 3.467 20 0 GGADMN C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820299393 1447035984 /nfs/dbraw/zinc/03/59/84/1447035984.db2.gz GFKVOUFGGZGAKU-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1Cl ZINC000824562576 1447058148 /nfs/dbraw/zinc/05/81/48/1447058148.db2.gz HIFBTXQZEPEBNR-SNVBAGLBSA-N 0 1 391.262 3.463 20 0 GGADMN C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537926 1447058597 /nfs/dbraw/zinc/05/85/97/1447058597.db2.gz GIZSLPZKOIJWAV-XCLFUZPHSA-N 0 1 377.448 3.440 20 0 GGADMN Cc1nc(C)c(CCNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)s1 ZINC000822196742 1447058804 /nfs/dbraw/zinc/05/88/04/1447058804.db2.gz VSFXKTKZLRVHGI-UHFFFAOYSA-N 0 1 379.493 3.182 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000822203498 1447063780 /nfs/dbraw/zinc/06/37/80/1447063780.db2.gz WZWCIOBQMMTQLW-HNNXBMFYSA-N 0 1 383.475 3.173 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000822203498 1447063783 /nfs/dbraw/zinc/06/37/83/1447063783.db2.gz WZWCIOBQMMTQLW-HNNXBMFYSA-N 0 1 383.475 3.173 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000822203498 1447063787 /nfs/dbraw/zinc/06/37/87/1447063787.db2.gz WZWCIOBQMMTQLW-HNNXBMFYSA-N 0 1 383.475 3.173 20 0 GGADMN COC1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000826144776 1447067180 /nfs/dbraw/zinc/06/71/80/1447067180.db2.gz RSYZBTBPLNZDFI-UHFFFAOYSA-N 0 1 379.464 3.104 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000736136882 1447078497 /nfs/dbraw/zinc/07/84/97/1447078497.db2.gz UKUPEKZBSINLBN-OAHLLOKOSA-N 0 1 399.458 3.365 20 0 GGADMN CCOc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825643564 1447079548 /nfs/dbraw/zinc/07/95/48/1447079548.db2.gz QOICRGDPVZHNBW-UHFFFAOYSA-N 0 1 378.480 3.342 20 0 GGADMN Cc1[nH+]ccn1[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000822478875 1447080639 /nfs/dbraw/zinc/08/06/39/1447080639.db2.gz VLRFALGOQYYONC-LBPRGKRZSA-N 0 1 396.405 3.040 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000820092832 1447081252 /nfs/dbraw/zinc/08/12/52/1447081252.db2.gz QEVOPWFMIWJWCP-GFCCVEGCSA-N 0 1 383.422 3.060 20 0 GGADMN CC(C)C[N@@H+]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000820092832 1447081261 /nfs/dbraw/zinc/08/12/61/1447081261.db2.gz QEVOPWFMIWJWCP-GFCCVEGCSA-N 0 1 383.422 3.060 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000820092832 1447081269 /nfs/dbraw/zinc/08/12/69/1447081269.db2.gz QEVOPWFMIWJWCP-GFCCVEGCSA-N 0 1 383.422 3.060 20 0 GGADMN Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000822195015 1447087738 /nfs/dbraw/zinc/08/77/38/1447087738.db2.gz DCYKXQBUIUXJSO-UHFFFAOYSA-N 0 1 391.523 3.486 20 0 GGADMN CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366531 1447088662 /nfs/dbraw/zinc/08/86/62/1447088662.db2.gz BAYVWCJCSYNGSH-IBGZPJMESA-N 0 1 390.491 3.132 20 0 GGADMN CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366531 1447088666 /nfs/dbraw/zinc/08/86/66/1447088666.db2.gz BAYVWCJCSYNGSH-IBGZPJMESA-N 0 1 390.491 3.132 20 0 GGADMN CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366531 1447088671 /nfs/dbraw/zinc/08/86/71/1447088671.db2.gz BAYVWCJCSYNGSH-IBGZPJMESA-N 0 1 390.491 3.132 20 0 GGADMN O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)c1)c1cccc(F)c1 ZINC000823363998 1447089319 /nfs/dbraw/zinc/08/93/19/1447089319.db2.gz VHTFZUUFXSNIOF-UHFFFAOYSA-N 0 1 392.394 3.141 20 0 GGADMN CCN(CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000825424251 1447093386 /nfs/dbraw/zinc/09/33/86/1447093386.db2.gz COYMELZYFNYBAU-KRWDZBQOSA-N 0 1 386.500 3.091 20 0 GGADMN C[C@H](C[C@@H](C)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)NC(=O)OC(C)(C)C ZINC000824394324 1447096627 /nfs/dbraw/zinc/09/66/27/1447096627.db2.gz XNTLGPUBCINRIG-ZIAGYGMSSA-N 0 1 386.500 3.137 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1OCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738413628 1447127918 /nfs/dbraw/zinc/12/79/18/1447127918.db2.gz ZBLZYOBWYXBHMQ-LJQANCHMSA-N 0 1 398.555 3.224 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1OCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738413628 1447127924 /nfs/dbraw/zinc/12/79/24/1447127924.db2.gz ZBLZYOBWYXBHMQ-LJQANCHMSA-N 0 1 398.555 3.224 20 0 GGADMN C[N@H+](Cc1cccc(Br)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825976981 1447136739 /nfs/dbraw/zinc/13/67/39/1447136739.db2.gz UOUSHLMJYQOCKN-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825976981 1447136744 /nfs/dbraw/zinc/13/67/44/1447136744.db2.gz UOUSHLMJYQOCKN-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821586208 1447138911 /nfs/dbraw/zinc/13/89/11/1447138911.db2.gz ODQOVXHTKRYMGJ-UHFFFAOYSA-N 0 1 392.294 3.137 20 0 GGADMN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000820420440 1447144057 /nfs/dbraw/zinc/14/40/57/1447144057.db2.gz QXBAGDKKBGIYIM-ZBEGNZNMSA-N 0 1 377.370 3.270 20 0 GGADMN CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820887800 1447154436 /nfs/dbraw/zinc/15/44/36/1447154436.db2.gz RMCFAWOQLDXJDV-UHFFFAOYSA-N 0 1 380.518 3.101 20 0 GGADMN FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC000826368927 1447162204 /nfs/dbraw/zinc/16/22/04/1447162204.db2.gz GHDYPKZEFHEYBS-NSHDSACASA-N 0 1 395.414 3.117 20 0 GGADMN COc1cccc(C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C2CCC(O)CC2)c1 ZINC000737130109 1447163108 /nfs/dbraw/zinc/16/31/08/1447163108.db2.gz BZYLSKQTXFPRBA-UHFFFAOYSA-N 0 1 393.491 3.181 20 0 GGADMN COc1cccc(C[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C2CCC(O)CC2)c1 ZINC000737130109 1447163111 /nfs/dbraw/zinc/16/31/11/1447163111.db2.gz BZYLSKQTXFPRBA-UHFFFAOYSA-N 0 1 393.491 3.181 20 0 GGADMN COc1cccc(C[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C2CCC(O)CC2)c1 ZINC000737130109 1447163114 /nfs/dbraw/zinc/16/31/14/1447163114.db2.gz BZYLSKQTXFPRBA-UHFFFAOYSA-N 0 1 393.491 3.181 20 0 GGADMN CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000824079251 1447165830 /nfs/dbraw/zinc/16/58/30/1447165830.db2.gz NPXHDOBNNQHINL-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000824079251 1447165833 /nfs/dbraw/zinc/16/58/33/1447165833.db2.gz NPXHDOBNNQHINL-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000824079251 1447165836 /nfs/dbraw/zinc/16/58/36/1447165836.db2.gz NPXHDOBNNQHINL-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN CC1(C)CC[C@@H](C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)c2ccccc21 ZINC000824802718 1447170808 /nfs/dbraw/zinc/17/08/08/1447170808.db2.gz OWGCWAUTYCQVNZ-HNNXBMFYSA-N 0 1 387.491 3.459 20 0 GGADMN C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824585319 1447170948 /nfs/dbraw/zinc/17/09/48/1447170948.db2.gz PTRPZPFCLYLMPS-YOEHRIQHSA-N 0 1 377.448 3.138 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000821652159 1447184151 /nfs/dbraw/zinc/18/41/51/1447184151.db2.gz NAZBXBLBDNHIDT-YSGRDPCXSA-N 0 1 391.475 3.206 20 0 GGADMN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000821652159 1447184157 /nfs/dbraw/zinc/18/41/57/1447184157.db2.gz NAZBXBLBDNHIDT-YSGRDPCXSA-N 0 1 391.475 3.206 20 0 GGADMN C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820664489 1447215956 /nfs/dbraw/zinc/21/59/56/1447215956.db2.gz ARSNUCFAQGKRDG-AUUYWEPGSA-N 0 1 394.454 3.418 20 0 GGADMN CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821497027 1447218617 /nfs/dbraw/zinc/21/86/17/1447218617.db2.gz OPBGZCXWSDRUBH-HUUCEWRRSA-N 0 1 378.480 3.497 20 0 GGADMN Fc1cc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ccc1Cl ZINC000826372881 1447227133 /nfs/dbraw/zinc/22/71/33/1447227133.db2.gz PLUMGYIWVGEQQF-JTQLQIEISA-N 0 1 378.864 3.089 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@H+]3CCC(C)(C)C3)c2-c2nnn[n-]2)C1 ZINC000820727306 1447246117 /nfs/dbraw/zinc/24/61/17/1447246117.db2.gz KPLOAZAURNSNFR-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+]3CCC(C)(C)C3)c2-c2nn[n-]n2)C1 ZINC000820727306 1447246123 /nfs/dbraw/zinc/24/61/23/1447246123.db2.gz KPLOAZAURNSNFR-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@H+]3CCC(C)(C)C3)c2-c2nn[n-]n2)C1 ZINC000820727306 1447246130 /nfs/dbraw/zinc/24/61/30/1447246130.db2.gz KPLOAZAURNSNFR-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC12CC[NH+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001139089530 1447258182 /nfs/dbraw/zinc/25/81/82/1447258182.db2.gz OTTIIQMIKXYIAB-UHFFFAOYSA-N 0 1 398.511 3.232 20 0 GGADMN c1cn(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823742620 1447268262 /nfs/dbraw/zinc/26/82/62/1447268262.db2.gz JDCGVJKJJQDJLA-ZWKOTPCHSA-N 0 1 381.509 3.048 20 0 GGADMN C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824627521 1447273105 /nfs/dbraw/zinc/27/31/05/1447273105.db2.gz YDLMKHPLRZHLPX-LLVKDONJSA-N 0 1 398.268 3.128 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411785 1447286455 /nfs/dbraw/zinc/28/64/55/1447286455.db2.gz JMMLVICOUGDDMI-HUUCEWRRSA-N 0 1 376.464 3.405 20 0 GGADMN CC[N@@H+](CCC1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)CC1CC1 ZINC000825418977 1447295317 /nfs/dbraw/zinc/29/53/17/1447295317.db2.gz BMAUSBNTDVFMHP-UHFFFAOYSA-N 0 1 389.935 3.254 20 0 GGADMN CC[N@H+](CCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)CC1CC1 ZINC000825418977 1447295319 /nfs/dbraw/zinc/29/53/19/1447295319.db2.gz BMAUSBNTDVFMHP-UHFFFAOYSA-N 0 1 389.935 3.254 20 0 GGADMN CC[N@@H+](CCC1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)CC1CC1 ZINC000825418977 1447295323 /nfs/dbraw/zinc/29/53/23/1447295323.db2.gz BMAUSBNTDVFMHP-UHFFFAOYSA-N 0 1 389.935 3.254 20 0 GGADMN C[C@H](CNc1c(-c2nnn[n-]2)c[nH+]c2ccc(OC(F)F)cc21)c1ccncc1 ZINC000820274571 1447303651 /nfs/dbraw/zinc/30/36/51/1447303651.db2.gz IIUSKRLMNNQYBU-LLVKDONJSA-N 0 1 397.389 3.049 20 0 GGADMN COc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1-c1nnn[n-]1 ZINC000826193493 1447305752 /nfs/dbraw/zinc/30/57/52/1447305752.db2.gz FHXXNOLUWQJEHL-UHFFFAOYSA-N 0 1 387.447 3.041 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000735875567 1447308850 /nfs/dbraw/zinc/30/88/50/1447308850.db2.gz WBRYKUCBUOTVBD-IAGOWNOFSA-N 0 1 399.543 3.050 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000735875567 1447308858 /nfs/dbraw/zinc/30/88/58/1447308858.db2.gz WBRYKUCBUOTVBD-IAGOWNOFSA-N 0 1 399.543 3.050 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000735875567 1447308863 /nfs/dbraw/zinc/30/88/63/1447308863.db2.gz WBRYKUCBUOTVBD-IAGOWNOFSA-N 0 1 399.543 3.050 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1)CC(C)C ZINC000825419994 1447317185 /nfs/dbraw/zinc/31/71/85/1447317185.db2.gz XFWSDNGZWZSLPJ-UHFFFAOYSA-N 0 1 399.543 3.479 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)C ZINC000825419994 1447317193 /nfs/dbraw/zinc/31/71/93/1447317193.db2.gz XFWSDNGZWZSLPJ-UHFFFAOYSA-N 0 1 399.543 3.479 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)CC(C)C ZINC000825419994 1447317200 /nfs/dbraw/zinc/31/72/00/1447317200.db2.gz XFWSDNGZWZSLPJ-UHFFFAOYSA-N 0 1 399.543 3.479 20 0 GGADMN COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1-c1nnn[n-]1 ZINC000826194389 1447320008 /nfs/dbraw/zinc/32/00/08/1447320008.db2.gz KTZQYXXPNWAVRX-SJLPKXTDSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826194389 1447320009 /nfs/dbraw/zinc/32/00/09/1447320009.db2.gz KTZQYXXPNWAVRX-SJLPKXTDSA-N 0 1 397.479 3.337 20 0 GGADMN COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826194389 1447320013 /nfs/dbraw/zinc/32/00/13/1447320013.db2.gz KTZQYXXPNWAVRX-SJLPKXTDSA-N 0 1 397.479 3.337 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737335434 1447328511 /nfs/dbraw/zinc/32/85/11/1447328511.db2.gz UMWBDJDLBKWJAX-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335434 1447328515 /nfs/dbraw/zinc/32/85/15/1447328515.db2.gz UMWBDJDLBKWJAX-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737335434 1447328521 /nfs/dbraw/zinc/32/85/21/1447328521.db2.gz UMWBDJDLBKWJAX-INIZCTEOSA-N 0 1 378.480 3.067 20 0 GGADMN CC(C)[N@H+]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000824296063 1447335966 /nfs/dbraw/zinc/33/59/66/1447335966.db2.gz DMIFMUQBYCYEHK-MAUKXSAKSA-N 0 1 385.422 3.176 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826169995 1447336316 /nfs/dbraw/zinc/33/63/16/1447336316.db2.gz LNWSKQXMMCUGSQ-BEFAXECRSA-N 0 1 379.464 3.133 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822723305 1449017050 /nfs/dbraw/zinc/01/70/50/1449017050.db2.gz CYINFGGAPJHKQY-BLLLJJGKSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723305 1449017055 /nfs/dbraw/zinc/01/70/55/1449017055.db2.gz CYINFGGAPJHKQY-BLLLJJGKSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822723305 1449017061 /nfs/dbraw/zinc/01/70/61/1449017061.db2.gz CYINFGGAPJHKQY-BLLLJJGKSA-N 0 1 392.429 3.339 20 0 GGADMN CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)C1 ZINC000820989041 1449021743 /nfs/dbraw/zinc/02/17/43/1449021743.db2.gz KWMVZYIYESUHIS-CHWSQXEVSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000820989041 1449021746 /nfs/dbraw/zinc/02/17/46/1449021746.db2.gz KWMVZYIYESUHIS-CHWSQXEVSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000820989041 1449021754 /nfs/dbraw/zinc/02/17/54/1449021754.db2.gz KWMVZYIYESUHIS-CHWSQXEVSA-N 0 1 388.541 3.114 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822083847 1449053925 /nfs/dbraw/zinc/05/39/25/1449053925.db2.gz DXPNNAGTNOLITB-RDJZCZTQSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083847 1449053931 /nfs/dbraw/zinc/05/39/31/1449053931.db2.gz DXPNNAGTNOLITB-RDJZCZTQSA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083847 1449053940 /nfs/dbraw/zinc/05/39/40/1449053940.db2.gz DXPNNAGTNOLITB-RDJZCZTQSA-N 0 1 397.527 3.293 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826194221 1449057324 /nfs/dbraw/zinc/05/73/24/1449057324.db2.gz FTVYOZVSTLDGSD-KRWDZBQOSA-N 0 1 395.438 3.252 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001139089460 1449079432 /nfs/dbraw/zinc/07/94/32/1449079432.db2.gz NKWVVBDSKFNCLH-UHFFFAOYSA-N 0 1 398.511 3.090 20 0 GGADMN C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1Cl ZINC000826232265 1449109016 /nfs/dbraw/zinc/10/90/16/1449109016.db2.gz ORMBGIJWQDKYTF-JTQLQIEISA-N 0 1 391.262 3.463 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000825323127 1449113656 /nfs/dbraw/zinc/11/36/56/1449113656.db2.gz OYGCIQMKTSXJNY-OAHLLOKOSA-N 0 1 394.479 3.115 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000825323127 1449113657 /nfs/dbraw/zinc/11/36/57/1449113657.db2.gz OYGCIQMKTSXJNY-OAHLLOKOSA-N 0 1 394.479 3.115 20 0 GGADMN CC(C)([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000819987820 1449128088 /nfs/dbraw/zinc/12/80/88/1449128088.db2.gz NCPGPPNPFKQHFF-MRXNPFEDSA-N 0 1 391.397 3.444 20 0 GGADMN O[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682167 1449139620 /nfs/dbraw/zinc/13/96/20/1449139620.db2.gz NIGDXYBDSPMRIL-VXKWHMMOSA-N 0 1 385.471 3.474 20 0 GGADMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn3ccccc3c1-c1nnn[n-]1)CCC2 ZINC000737488295 1449154186 /nfs/dbraw/zinc/15/41/86/1449154186.db2.gz OBNHVKLUMBHRNJ-INIZCTEOSA-N 0 1 379.493 3.394 20 0 GGADMN Fc1ccccc1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000822792389 1449170085 /nfs/dbraw/zinc/17/00/85/1449170085.db2.gz VBKWFRVLYAZLON-OAHLLOKOSA-N 0 1 391.410 3.045 20 0 GGADMN Fc1ccccc1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000822792389 1449170091 /nfs/dbraw/zinc/17/00/91/1449170091.db2.gz VBKWFRVLYAZLON-OAHLLOKOSA-N 0 1 391.410 3.045 20 0 GGADMN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824406688 1449183336 /nfs/dbraw/zinc/18/33/36/1449183336.db2.gz PYGJYQFRRAISBP-AWEZNQCLSA-N 0 1 377.448 3.195 20 0 GGADMN Cc1cccc2c(N[C@H]3CCOC4(CCSCC4)C3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822335892 1449188486 /nfs/dbraw/zinc/18/84/86/1449188486.db2.gz NDFRUQWOTZPVSU-AWEZNQCLSA-N 0 1 396.520 3.002 20 0 GGADMN CC[NH+]1CCN(c2ccccc2N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825465977 1449192036 /nfs/dbraw/zinc/19/20/36/1449192036.db2.gz VBYXKEJLLHRRFP-INIZCTEOSA-N 0 1 377.496 3.182 20 0 GGADMN Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826305290 1449214459 /nfs/dbraw/zinc/21/44/59/1449214459.db2.gz QWWMGPNRJSCDAV-QFIPXVFZSA-N 0 1 388.519 3.417 20 0 GGADMN CC(=O)c1ccc2c(c1)CCN(c1c(-c3nnn[n-]3)c[nH+]c3ccccc31)CC2 ZINC000824029122 1449245841 /nfs/dbraw/zinc/24/58/41/1449245841.db2.gz DVNGXROJYOGSPT-UHFFFAOYSA-N 0 1 384.443 3.223 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H](Nc3cc(-c4nnn[n-]4)c4ccccc4n3)C2)cc1 ZINC000738433952 1449247630 /nfs/dbraw/zinc/24/76/30/1449247630.db2.gz ZWESDOLDLLOOHA-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738433952 1449247633 /nfs/dbraw/zinc/24/76/33/1449247633.db2.gz ZWESDOLDLLOOHA-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN c1ccc(C[N@H+]2CCC[C@@H](Nc3cc(-c4nn[n-]n4)c4ccccc4n3)C2)cc1 ZINC000738433952 1449247636 /nfs/dbraw/zinc/24/76/36/1449247636.db2.gz ZWESDOLDLLOOHA-QGZVFWFLSA-N 0 1 385.475 3.491 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826220376 1449296118 /nfs/dbraw/zinc/29/61/18/1449296118.db2.gz LXLTZAIRZLAYDQ-CVEARBPZSA-N 0 1 378.480 3.052 20 0 GGADMN c1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc(-c2nn[n-]n2)c1 ZINC000738411661 1449302953 /nfs/dbraw/zinc/30/29/53/1449302953.db2.gz WSYZXKRKFVEEJE-UHFFFAOYSA-N 0 1 377.448 3.197 20 0 GGADMN Cc1c(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822095006 1449325454 /nfs/dbraw/zinc/32/54/54/1449325454.db2.gz AABBDTCMUMAITG-HNNXBMFYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1c(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095006 1449325459 /nfs/dbraw/zinc/32/54/59/1449325459.db2.gz AABBDTCMUMAITG-HNNXBMFYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1c(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822095006 1449325464 /nfs/dbraw/zinc/32/54/64/1449325464.db2.gz AABBDTCMUMAITG-HNNXBMFYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000822331615 1449344936 /nfs/dbraw/zinc/34/49/36/1449344936.db2.gz IIYNBBPQLTUZQZ-MUUNZHRXSA-N 0 1 392.488 3.097 20 0 GGADMN COc1ccc(COCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826206872 1449358972 /nfs/dbraw/zinc/35/89/72/1449358972.db2.gz OVPKONYXORZQRK-HXUWFJFHSA-N 0 1 379.464 3.059 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000826519964 1449360008 /nfs/dbraw/zinc/36/00/08/1449360008.db2.gz WCFFSNUUGDFKTA-KRWDZBQOSA-N 0 1 392.511 3.412 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000826519964 1449360016 /nfs/dbraw/zinc/36/00/16/1449360016.db2.gz WCFFSNUUGDFKTA-KRWDZBQOSA-N 0 1 392.511 3.412 20 0 GGADMN c1ccc(-c2nn[n-]n2)c(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000826519964 1449360020 /nfs/dbraw/zinc/36/00/20/1449360020.db2.gz WCFFSNUUGDFKTA-KRWDZBQOSA-N 0 1 392.511 3.412 20 0 GGADMN COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3F)C2)c1 ZINC000826217008 1449368204 /nfs/dbraw/zinc/36/82/04/1449368204.db2.gz VZMFNFFEYLFSDH-ZBFHGGJFSA-N 0 1 396.470 3.334 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000737558895 1449403870 /nfs/dbraw/zinc/40/38/70/1449403870.db2.gz QZYMWCKLUGRKOG-UHFFFAOYSA-N 0 1 384.875 3.303 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)[nH+]1 ZINC000826274516 1449461465 /nfs/dbraw/zinc/46/14/65/1449461465.db2.gz UCSVAAYGZZQQAI-SNVBAGLBSA-N 0 1 395.414 3.429 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000822963936 1449463151 /nfs/dbraw/zinc/46/31/51/1449463151.db2.gz BBXKWWOHXYVBOI-QGZVFWFLSA-N 0 1 382.855 3.296 20 0 GGADMN COc1ccc(C(=O)C2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826187138 1449474408 /nfs/dbraw/zinc/47/44/08/1449474408.db2.gz BMLJOKBIRSLZAM-UHFFFAOYSA-N 0 1 395.438 3.109 20 0 GGADMN O=C(C=Cc1ccccc1-c1nnn[n-]1)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000826401973 1449488872 /nfs/dbraw/zinc/48/88/72/1449488872.db2.gz KEHRMULHIDMWFU-SYGIOELKSA-N 0 1 389.459 3.088 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F)c1ccco1 ZINC000826501775 1449508443 /nfs/dbraw/zinc/50/84/43/1449508443.db2.gz GWHPLNJRZMEXOK-DOTOQJQBSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501775 1449508446 /nfs/dbraw/zinc/50/84/46/1449508446.db2.gz GWHPLNJRZMEXOK-DOTOQJQBSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F)c1ccco1 ZINC000826501775 1449508447 /nfs/dbraw/zinc/50/84/47/1449508447.db2.gz GWHPLNJRZMEXOK-DOTOQJQBSA-N 0 1 385.443 3.467 20 0 GGADMN CC[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H](C)c1cccc(OC)c1 ZINC000825443418 1449528866 /nfs/dbraw/zinc/52/88/66/1449528866.db2.gz BZLGYQMLOWPBRG-AWEZNQCLSA-N 0 1 377.452 3.106 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC12CC[NH+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001139094259 1449539154 /nfs/dbraw/zinc/53/91/54/1449539154.db2.gz BJSOAWVAPHGEJZ-QGZVFWFLSA-N 0 1 398.511 3.136 20 0 GGADMN c1cc(-c2nnc(C[N@@H+]3CCSC4(CCCCC4)C3)o2)ccc1-c1nnn[n-]1 ZINC000823737929 1449553005 /nfs/dbraw/zinc/55/30/05/1449553005.db2.gz LIHDQJWVLBSLGC-UHFFFAOYSA-N 0 1 397.508 3.168 20 0 GGADMN c1cc(-c2nnc(C[N@H+]3CCSC4(CCCCC4)C3)o2)ccc1-c1nnn[n-]1 ZINC000823737929 1449553013 /nfs/dbraw/zinc/55/30/13/1449553013.db2.gz LIHDQJWVLBSLGC-UHFFFAOYSA-N 0 1 397.508 3.168 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826404628 1449557280 /nfs/dbraw/zinc/55/72/80/1449557280.db2.gz HIRXWHCHBDCEFY-GOSISDBHSA-N 0 1 395.438 3.122 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1cnn(Cc2ccccc2)c1 ZINC000824611601 1449558534 /nfs/dbraw/zinc/55/85/34/1449558534.db2.gz CCQQTHIDRPCUCQ-CQSZACIVSA-N 0 1 377.427 3.101 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824585127 1449562917 /nfs/dbraw/zinc/56/29/17/1449562917.db2.gz ODKNFZVLIKRWSU-HIFRSBDPSA-N 0 1 375.448 3.122 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(OC)c(Cl)c1 ZINC000826158727 1449594224 /nfs/dbraw/zinc/59/42/24/1449594224.db2.gz AFDWIVRPAXLYCP-UHFFFAOYSA-N 0 1 387.871 3.177 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949530 1449615543 /nfs/dbraw/zinc/61/55/43/1449615543.db2.gz YALWXQTVNFXFEE-JSGCOSHPSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949530 1449615550 /nfs/dbraw/zinc/61/55/50/1449615550.db2.gz YALWXQTVNFXFEE-JSGCOSHPSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824949530 1449615554 /nfs/dbraw/zinc/61/55/54/1449615554.db2.gz YALWXQTVNFXFEE-JSGCOSHPSA-N 0 1 392.529 3.053 20 0 GGADMN Clc1cc(Cl)cc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737566607 1449619447 /nfs/dbraw/zinc/61/94/47/1449619447.db2.gz VVEFPHJFYQFJHJ-UHFFFAOYSA-N 0 1 388.262 3.154 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736235327 1449623662 /nfs/dbraw/zinc/62/36/62/1449623662.db2.gz NFTJUHFNNZFXAP-HIFRSBDPSA-N 0 1 382.493 3.135 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736235327 1449623669 /nfs/dbraw/zinc/62/36/69/1449623669.db2.gz NFTJUHFNNZFXAP-HIFRSBDPSA-N 0 1 382.493 3.135 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736235327 1449623673 /nfs/dbraw/zinc/62/36/73/1449623673.db2.gz NFTJUHFNNZFXAP-HIFRSBDPSA-N 0 1 382.493 3.135 20 0 GGADMN CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821553788 1449625155 /nfs/dbraw/zinc/62/51/55/1449625155.db2.gz KBSSDRWDNFGLLL-AWEZNQCLSA-N 0 1 389.463 3.372 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N[C@H]3CCOC4(CCCC4)C3)c2c1 ZINC000822195513 1449645604 /nfs/dbraw/zinc/64/56/04/1449645604.db2.gz UKRKGDFVDAMIGI-HNNXBMFYSA-N 0 1 378.480 3.357 20 0 GGADMN C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420457 1449652598 /nfs/dbraw/zinc/65/25/98/1449652598.db2.gz RIADZSRQGDTBES-INIZCTEOSA-N 0 1 386.569 3.269 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826341383 1449661400 /nfs/dbraw/zinc/66/14/00/1449661400.db2.gz GIABMJISFMXPOK-ZJUUUORDSA-N 0 1 390.394 3.033 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000824293852 1449667229 /nfs/dbraw/zinc/66/72/29/1449667229.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000824293852 1449667235 /nfs/dbraw/zinc/66/72/35/1449667235.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000824293852 1449667239 /nfs/dbraw/zinc/66/72/39/1449667239.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824293852 1449667246 /nfs/dbraw/zinc/66/72/46/1449667246.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824293852 1449667252 /nfs/dbraw/zinc/66/72/52/1449667252.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824293852 1449667259 /nfs/dbraw/zinc/66/72/59/1449667259.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824293852 1449667265 /nfs/dbraw/zinc/66/72/65/1449667265.db2.gz ZSUAMAKDZIBLML-OAQYLSRUSA-N 0 1 376.508 3.352 20 0 GGADMN CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000819987686 1449669351 /nfs/dbraw/zinc/66/93/51/1449669351.db2.gz GLMQUEGMXFLDPV-UHFFFAOYSA-N 0 1 376.258 3.333 20 0 GGADMN CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1OC ZINC000825140557 1449679420 /nfs/dbraw/zinc/67/94/20/1449679420.db2.gz KORYVXXRHPQULY-IUODEOHRSA-N 0 1 398.467 3.153 20 0 GGADMN C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820294083 1449689592 /nfs/dbraw/zinc/68/95/92/1449689592.db2.gz QQRZBAQIGRXHBB-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736302196 1449704625 /nfs/dbraw/zinc/70/46/25/1449704625.db2.gz FLYBVQNDBKXTTM-LBPRGKRZSA-N 0 1 382.855 3.078 20 0 GGADMN C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736302196 1449704631 /nfs/dbraw/zinc/70/46/31/1449704631.db2.gz FLYBVQNDBKXTTM-LBPRGKRZSA-N 0 1 382.855 3.078 20 0 GGADMN O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826505787 1449704955 /nfs/dbraw/zinc/70/49/55/1449704955.db2.gz FNOKNAVHGXVMSC-DOTOQJQBSA-N 0 1 389.381 3.193 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736204578 1449708004 /nfs/dbraw/zinc/70/80/04/1449708004.db2.gz SGTDXQUBVUHOKX-HNNXBMFYSA-N 0 1 376.464 3.421 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736204578 1449708008 /nfs/dbraw/zinc/70/80/08/1449708008.db2.gz SGTDXQUBVUHOKX-HNNXBMFYSA-N 0 1 376.464 3.421 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736204578 1449708010 /nfs/dbraw/zinc/70/80/10/1449708010.db2.gz SGTDXQUBVUHOKX-HNNXBMFYSA-N 0 1 376.464 3.421 20 0 GGADMN c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826520842 1449713167 /nfs/dbraw/zinc/71/31/67/1449713167.db2.gz SLZHZRWTVQBYRJ-OXJNMPFZSA-N 0 1 379.464 3.003 20 0 GGADMN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000820659450 1449714347 /nfs/dbraw/zinc/71/43/47/1449714347.db2.gz XIHMXQFIRNLRTB-LPHOPBHVSA-N 0 1 394.498 3.491 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000821702160 1449721879 /nfs/dbraw/zinc/72/18/79/1449721879.db2.gz JQULQAATHNIFKO-QAPCUYQASA-N 0 1 379.464 3.132 20 0 GGADMN C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736771751 1449734011 /nfs/dbraw/zinc/73/40/11/1449734011.db2.gz QCZJFURTXZODHK-UHFFFAOYSA-N 0 1 380.383 3.066 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819940191 1449734560 /nfs/dbraw/zinc/73/45/60/1449734560.db2.gz RTIPFOLKTPOSKT-SJORKVTESA-N 0 1 386.500 3.040 20 0 GGADMN C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000824547718 1449759527 /nfs/dbraw/zinc/75/95/27/1449759527.db2.gz SFZUGDSFNGNPBQ-AWEZNQCLSA-N 0 1 398.461 3.460 20 0 GGADMN CC[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000820926376 1449780166 /nfs/dbraw/zinc/78/01/66/1449780166.db2.gz SHXYDZYAYVAWGZ-HNNXBMFYSA-N 0 1 386.481 3.006 20 0 GGADMN CCS[C@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000821456622 1449780226 /nfs/dbraw/zinc/78/02/26/1449780226.db2.gz RFOQDLALRWOQKL-HNNXBMFYSA-N 0 1 385.497 3.024 20 0 GGADMN Cc1cc[nH+]c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000826310823 1449801131 /nfs/dbraw/zinc/80/11/31/1449801131.db2.gz JJRUNNSAFDROAC-AWEZNQCLSA-N 0 1 391.262 3.455 20 0 GGADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826212165 1449807066 /nfs/dbraw/zinc/80/70/66/1449807066.db2.gz IJWKKCCIUHPXEU-LJQANCHMSA-N 0 1 379.464 3.393 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821253231 1449812470 /nfs/dbraw/zinc/81/24/70/1449812470.db2.gz FIJSTWJNSFGCEJ-INIZCTEOSA-N 0 1 390.491 3.090 20 0 GGADMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821253231 1449812474 /nfs/dbraw/zinc/81/24/74/1449812474.db2.gz FIJSTWJNSFGCEJ-INIZCTEOSA-N 0 1 390.491 3.090 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821253231 1449812479 /nfs/dbraw/zinc/81/24/79/1449812479.db2.gz FIJSTWJNSFGCEJ-INIZCTEOSA-N 0 1 390.491 3.090 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000736290547 1449813989 /nfs/dbraw/zinc/81/39/89/1449813989.db2.gz QUABBAZZUMMIIS-AUUYWEPGSA-N 0 1 392.438 3.221 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000736290547 1449813995 /nfs/dbraw/zinc/81/39/95/1449813995.db2.gz QUABBAZZUMMIIS-AUUYWEPGSA-N 0 1 392.438 3.221 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000824822550 1449825478 /nfs/dbraw/zinc/82/54/78/1449825478.db2.gz DTVCRNUOFPWYTG-GOSISDBHSA-N 0 1 392.529 3.055 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2ccccc2Br)cc1-c1nnn[n-]1 ZINC000821803235 1449839020 /nfs/dbraw/zinc/83/90/20/1449839020.db2.gz DNGUCMQTOPBDSR-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825961285 1449869077 /nfs/dbraw/zinc/86/90/77/1449869077.db2.gz DLTZHUAAMQBIEN-HIFRSBDPSA-N 0 1 396.303 3.325 20 0 GGADMN CCC1CCC([N@@H+](C)Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736396056 1449873229 /nfs/dbraw/zinc/87/32/29/1449873229.db2.gz LJVGMQDSDXYNAR-UHFFFAOYSA-N 0 1 380.500 3.292 20 0 GGADMN Cc1cc([C@@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCO2)ccc1F ZINC000826266345 1449874934 /nfs/dbraw/zinc/87/49/34/1449874934.db2.gz MBBQCHJEVDGCOC-IBGZPJMESA-N 0 1 394.454 3.166 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820225286 1449883240 /nfs/dbraw/zinc/88/32/40/1449883240.db2.gz FRGWBPDJYYQANI-LLVKDONJSA-N 0 1 388.834 3.166 20 0 GGADMN COc1cc(Br)ccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826177255 1449885624 /nfs/dbraw/zinc/88/56/24/1449885624.db2.gz ZVSCIWJXCRPDNM-UHFFFAOYSA-N 0 1 392.232 3.067 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826192942 1449886177 /nfs/dbraw/zinc/88/61/77/1449886177.db2.gz JJHRZGKIROECRX-GHTZIAJQSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192942 1449886183 /nfs/dbraw/zinc/88/61/83/1449886183.db2.gz JJHRZGKIROECRX-GHTZIAJQSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826192942 1449886189 /nfs/dbraw/zinc/88/61/89/1449886189.db2.gz JJHRZGKIROECRX-GHTZIAJQSA-N 0 1 393.491 3.475 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000823314119 1449898571 /nfs/dbraw/zinc/89/85/71/1449898571.db2.gz MEMADPKISGRMPH-CQSZACIVSA-N 0 1 389.891 3.002 20 0 GGADMN Clc1ccc(-c2nn[n-]n2)c(NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000737571093 1449904322 /nfs/dbraw/zinc/90/43/22/1449904322.db2.gz RHMXXGDCFKCOKJ-UHFFFAOYSA-N 0 1 378.933 3.294 20 0 GGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821014364 1449908606 /nfs/dbraw/zinc/90/86/06/1449908606.db2.gz FKWGCHUJIRDWDL-BLLLJJGKSA-N 0 1 376.892 3.359 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1)CC(C)C ZINC000825419996 1449911504 /nfs/dbraw/zinc/91/15/04/1449911504.db2.gz XIZTYVVVHFGNCO-UHFFFAOYSA-N 0 1 398.555 3.016 20 0 GGADMN CC[N@H+](CCC1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419996 1449911505 /nfs/dbraw/zinc/91/15/05/1449911505.db2.gz XIZTYVVVHFGNCO-UHFFFAOYSA-N 0 1 398.555 3.016 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1)CC(C)C ZINC000825419996 1449911506 /nfs/dbraw/zinc/91/15/06/1449911506.db2.gz XIZTYVVVHFGNCO-UHFFFAOYSA-N 0 1 398.555 3.016 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826202045 1449911747 /nfs/dbraw/zinc/91/17/47/1449911747.db2.gz MRGJENMOLSDJEL-KZULUSFZSA-N 0 1 387.871 3.395 20 0 GGADMN C[C@@H](c1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1)[NH+]1CCOCC1 ZINC000824773044 1449925227 /nfs/dbraw/zinc/92/52/27/1449925227.db2.gz XWPLEVQFBNJJHU-AWEZNQCLSA-N 0 1 382.443 3.011 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000824823459 1449933831 /nfs/dbraw/zinc/93/38/31/1449933831.db2.gz NWBPSBSUVUIUSW-UHFFFAOYSA-N 0 1 392.529 3.055 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000820641874 1449935129 /nfs/dbraw/zinc/93/51/29/1449935129.db2.gz DWMWRSOHKJFLPZ-OXQOHEQNSA-N 0 1 390.491 3.254 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000820641874 1449935131 /nfs/dbraw/zinc/93/51/31/1449935131.db2.gz DWMWRSOHKJFLPZ-OXQOHEQNSA-N 0 1 390.491 3.254 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820112054 1449944523 /nfs/dbraw/zinc/94/45/23/1449944523.db2.gz HWNVVOZVRFQIGY-UHFFFAOYSA-N 0 1 391.907 3.104 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820112054 1449944525 /nfs/dbraw/zinc/94/45/25/1449944525.db2.gz HWNVVOZVRFQIGY-UHFFFAOYSA-N 0 1 391.907 3.104 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820112054 1449944526 /nfs/dbraw/zinc/94/45/26/1449944526.db2.gz HWNVVOZVRFQIGY-UHFFFAOYSA-N 0 1 391.907 3.104 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)Cc1ccc(Cl)s1 ZINC000736536746 1449948257 /nfs/dbraw/zinc/94/82/57/1449948257.db2.gz NNAGSYWMXMTYIQ-UHFFFAOYSA-N 0 1 393.900 3.491 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000826182629 1449952699 /nfs/dbraw/zinc/95/26/99/1449952699.db2.gz PNTCYABEHOJMBB-QEEYODRMSA-N 0 1 379.464 3.226 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000826182629 1449952703 /nfs/dbraw/zinc/95/27/03/1449952703.db2.gz PNTCYABEHOJMBB-QEEYODRMSA-N 0 1 379.464 3.226 20 0 GGADMN CC[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820913217 1449961857 /nfs/dbraw/zinc/96/18/57/1449961857.db2.gz DMTCQNGZNAFAMC-GFCCVEGCSA-N 0 1 376.258 3.333 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@H]1CCCOC1 ZINC000824619699 1449970731 /nfs/dbraw/zinc/97/07/31/1449970731.db2.gz ZFKQDMFETLUOMS-JXFKEZNVSA-N 0 1 393.491 3.350 20 0 GGADMN CCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000736478630 1449971616 /nfs/dbraw/zinc/97/16/16/1449971616.db2.gz AWGIUWWNESAYAD-MRXNPFEDSA-N 0 1 386.500 3.088 20 0 GGADMN CCC[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000736478630 1449971619 /nfs/dbraw/zinc/97/16/19/1449971619.db2.gz AWGIUWWNESAYAD-MRXNPFEDSA-N 0 1 386.500 3.088 20 0 GGADMN CCC[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000736478630 1449971622 /nfs/dbraw/zinc/97/16/22/1449971622.db2.gz AWGIUWWNESAYAD-MRXNPFEDSA-N 0 1 386.500 3.088 20 0 GGADMN CC(C)(C)C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000735593314 1449978520 /nfs/dbraw/zinc/97/85/20/1449978520.db2.gz INSGDOKWUYWARJ-DYVFJYSZSA-N 0 1 398.490 3.011 20 0 GGADMN CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000824323928 1449986274 /nfs/dbraw/zinc/98/62/74/1449986274.db2.gz DKWWWZNSHQPHAC-NHCUHLMSSA-N 0 1 393.491 3.355 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c(-c2nnn[n-]2)c1C ZINC000826285444 1449988396 /nfs/dbraw/zinc/98/83/96/1449988396.db2.gz AATVPMCFTODGMZ-MRXNPFEDSA-N 0 1 396.520 3.281 20 0 GGADMN Cc1cc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)c2ccccc2[nH+]1 ZINC001139850978 1449994761 /nfs/dbraw/zinc/99/47/61/1449994761.db2.gz YAUXESJPMZPMIQ-UHFFFAOYSA-N 0 1 385.475 3.046 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826179151 1449996430 /nfs/dbraw/zinc/99/64/30/1449996430.db2.gz BDDLZLWQHPLLCP-FUHWJXTLSA-N 0 1 377.448 3.049 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@H](CNc3nc4ccccc4cc3-c3nnn[n-]3)C2)cc1 ZINC000823780045 1450004270 /nfs/dbraw/zinc/00/42/70/1450004270.db2.gz NCGPALCETGFGAP-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@@H+]2CC[C@H](CNc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823780045 1450004273 /nfs/dbraw/zinc/00/42/73/1450004273.db2.gz NCGPALCETGFGAP-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN c1ccc(CC[N@H+]2CC[C@H](CNc3nc4ccccc4cc3-c3nn[n-]n3)C2)cc1 ZINC000823780045 1450004275 /nfs/dbraw/zinc/00/42/75/1450004275.db2.gz NCGPALCETGFGAP-GOSISDBHSA-N 0 1 399.502 3.391 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[NH+]1C2CCC1CC2 ZINC000819877214 1450005469 /nfs/dbraw/zinc/00/54/69/1450005469.db2.gz RDFWIABBHGTZQB-HIFPTAJRSA-N 0 1 386.525 3.151 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000822143254 1450012959 /nfs/dbraw/zinc/01/29/59/1450012959.db2.gz ANXUYCOGCOUUOK-UHFFFAOYSA-N 0 1 394.479 3.037 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000822143254 1450012961 /nfs/dbraw/zinc/01/29/61/1450012961.db2.gz ANXUYCOGCOUUOK-UHFFFAOYSA-N 0 1 394.479 3.037 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000822143254 1450012965 /nfs/dbraw/zinc/01/29/65/1450012965.db2.gz ANXUYCOGCOUUOK-UHFFFAOYSA-N 0 1 394.479 3.037 20 0 GGADMN COc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1-c1nn[n-]n1 ZINC000821813252 1450017478 /nfs/dbraw/zinc/01/74/78/1450017478.db2.gz BVTUSEZKURBFPA-UHFFFAOYSA-N 0 1 382.855 3.342 20 0 GGADMN Clc1ccc(NCC2([NH+]3CCSCC3)CCCC2)c(-c2nn[n-]n2)c1 ZINC000737574763 1450021863 /nfs/dbraw/zinc/02/18/63/1450021863.db2.gz PABHNILZCAYDAB-UHFFFAOYSA-N 0 1 378.933 3.294 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCc2c(nc(C(C)C)n2C)C1 ZINC000822337602 1450027753 /nfs/dbraw/zinc/02/77/53/1450027753.db2.gz YSXMECFXGBRNEH-UHFFFAOYSA-N 0 1 388.479 3.143 20 0 GGADMN c1nn(-c2ccccc2)cc1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867576 1450054527 /nfs/dbraw/zinc/05/45/27/1450054527.db2.gz CLCXLHGGGJJOFO-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN c1nn(-c2ccccc2)cc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823867576 1450054533 /nfs/dbraw/zinc/05/45/33/1450054533.db2.gz CLCXLHGGGJJOFO-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000736321621 1450057182 /nfs/dbraw/zinc/05/71/82/1450057182.db2.gz DRNCJHBNNVXLFO-QWHCGFSZSA-N 0 1 390.557 3.360 20 0 GGADMN CC[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736321621 1450057183 /nfs/dbraw/zinc/05/71/83/1450057183.db2.gz DRNCJHBNNVXLFO-QWHCGFSZSA-N 0 1 390.557 3.360 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000736321621 1450057187 /nfs/dbraw/zinc/05/71/87/1450057187.db2.gz DRNCJHBNNVXLFO-QWHCGFSZSA-N 0 1 390.557 3.360 20 0 GGADMN COc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1-c1nnn[n-]1 ZINC000821808334 1450059154 /nfs/dbraw/zinc/05/91/54/1450059154.db2.gz DSVYKCCXPBDKQD-GOSISDBHSA-N 0 1 384.528 3.010 20 0 GGADMN COc1ccc(CNC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1-c1nn[n-]n1 ZINC000821808334 1450059160 /nfs/dbraw/zinc/05/91/60/1450059160.db2.gz DSVYKCCXPBDKQD-GOSISDBHSA-N 0 1 384.528 3.010 20 0 GGADMN COc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1-c1nn[n-]n1 ZINC000821808334 1450059166 /nfs/dbraw/zinc/05/91/66/1450059166.db2.gz DSVYKCCXPBDKQD-GOSISDBHSA-N 0 1 384.528 3.010 20 0 GGADMN COc1ccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)cc1-c1nnn[n-]1 ZINC000821808334 1450059172 /nfs/dbraw/zinc/05/91/72/1450059172.db2.gz DSVYKCCXPBDKQD-GOSISDBHSA-N 0 1 384.528 3.010 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3ccccc3C(F)(F)F)C2)[nH+]1 ZINC000826275002 1450068223 /nfs/dbraw/zinc/06/82/23/1450068223.db2.gz LLUAGXNUDZSPGY-HNNXBMFYSA-N 0 1 390.369 3.167 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000826371541 1450072094 /nfs/dbraw/zinc/07/20/94/1450072094.db2.gz KGQMJQRTOBEYEX-OWZKRDHZSA-N 0 1 392.482 3.291 20 0 GGADMN CC[C@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000825148771 1450072605 /nfs/dbraw/zinc/07/26/05/1450072605.db2.gz UCIBJAYJKPFBAN-SFTDATJTSA-N 0 1 393.491 3.493 20 0 GGADMN Fc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(Cl)c1 ZINC000822765909 1450075767 /nfs/dbraw/zinc/07/57/67/1450075767.db2.gz ANOSJFDAHHJWTB-HNNXBMFYSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(Cl)c1 ZINC000822765909 1450075770 /nfs/dbraw/zinc/07/57/70/1450075770.db2.gz ANOSJFDAHHJWTB-HNNXBMFYSA-N 0 1 387.850 3.131 20 0 GGADMN Fc1ccc(F)c2c1ncc(-c1nn[n-]n1)c2N1CC[NH+](C2CCCCC2)CC1 ZINC000822774862 1450083028 /nfs/dbraw/zinc/08/30/28/1450083028.db2.gz PWWCWUQVGBWXKD-UHFFFAOYSA-N 0 1 399.449 3.148 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]1c1cccs1 ZINC000821623632 1450083928 /nfs/dbraw/zinc/08/39/28/1450083928.db2.gz OWFWZHYBTUERHF-RHSMWYFYSA-N 0 1 397.508 3.133 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000736479960 1450085426 /nfs/dbraw/zinc/08/54/26/1450085426.db2.gz NTWCZTGDQJDXQU-QGZVFWFLSA-N 0 1 392.507 3.126 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)CC1(O)CCCC1 ZINC000825981129 1450095407 /nfs/dbraw/zinc/09/54/07/1450095407.db2.gz PJSPFUZNOHQEMK-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN C[N@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)CC1(O)CCCC1 ZINC000825981129 1450095409 /nfs/dbraw/zinc/09/54/09/1450095409.db2.gz PJSPFUZNOHQEMK-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)CC1(O)CCCC1 ZINC000825981129 1450095416 /nfs/dbraw/zinc/09/54/16/1450095416.db2.gz PJSPFUZNOHQEMK-UHFFFAOYSA-N 0 1 393.491 3.183 20 0 GGADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826507063 1450102169 /nfs/dbraw/zinc/10/21/69/1450102169.db2.gz IBMABCQFYQMRED-WBVHZDCISA-N 0 1 389.381 3.193 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820431112 1450104614 /nfs/dbraw/zinc/10/46/14/1450104614.db2.gz APUUPKXZJMQNLX-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000826373589 1450123276 /nfs/dbraw/zinc/12/32/76/1450123276.db2.gz RSTDSGTVXCGNTR-FQEVSTJZSA-N 0 1 380.471 3.323 20 0 GGADMN c1cnc2c(c1)cccc2C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738419549 1450169016 /nfs/dbraw/zinc/16/90/16/1450169016.db2.gz PQUJDCCASHPEKV-UHFFFAOYSA-N 0 1 386.459 3.458 20 0 GGADMN c1ccc2c(c1)CC[N@H+](CCCNc1cc(-c3nnn[n-]3)c3ccccc3n1)C2 ZINC000738440717 1450194887 /nfs/dbraw/zinc/19/48/87/1450194887.db2.gz IEJSCWBSLBIYJX-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN c1ccc2c(c1)CC[N@@H+](CCCNc1cc(-c3nn[n-]n3)c3ccccc3n1)C2 ZINC000738440717 1450194893 /nfs/dbraw/zinc/19/48/93/1450194893.db2.gz IEJSCWBSLBIYJX-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN c1ccc2c(c1)CC[N@H+](CCCNc1cc(-c3nn[n-]n3)c3ccccc3n1)C2 ZINC000738440717 1450194898 /nfs/dbraw/zinc/19/48/98/1450194898.db2.gz IEJSCWBSLBIYJX-UHFFFAOYSA-N 0 1 385.475 3.275 20 0 GGADMN Fc1ccc(C[C@@H]2CC[N@@H+](Cc3cn4ccccc4c3-c3nnn[n-]3)C2)cc1 ZINC000737650312 1450205048 /nfs/dbraw/zinc/20/50/48/1450205048.db2.gz NUXADQSKEJFPCL-INIZCTEOSA-N 0 1 376.439 3.323 20 0 GGADMN Fc1ccc(C[C@@H]2CC[N@H+](Cc3cn4ccccc4c3-c3nn[n-]n3)C2)cc1 ZINC000737650312 1450205051 /nfs/dbraw/zinc/20/50/51/1450205051.db2.gz NUXADQSKEJFPCL-INIZCTEOSA-N 0 1 376.439 3.323 20 0 GGADMN Fc1ccc(C[C@@H]2CC[N@@H+](Cc3cn4ccccc4c3-c3nn[n-]n3)C2)cc1 ZINC000737650312 1450205056 /nfs/dbraw/zinc/20/50/56/1450205056.db2.gz NUXADQSKEJFPCL-INIZCTEOSA-N 0 1 376.439 3.323 20 0 GGADMN Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3cccc(-c4nn[n-]n4)c3)c2cc1C ZINC000822212902 1450234500 /nfs/dbraw/zinc/23/45/00/1450234500.db2.gz MBKXWFQAALOKSD-CQSZACIVSA-N 0 1 375.432 3.441 20 0 GGADMN c1ccc(OCCOCC[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823867755 1450247242 /nfs/dbraw/zinc/24/72/42/1450247242.db2.gz GTFHVKDZKJXAGT-UHFFFAOYSA-N 0 1 391.475 3.051 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321881 1450293625 /nfs/dbraw/zinc/29/36/25/1450293625.db2.gz NKCKQPJLQACHOC-OXJNMPFZSA-N 0 1 390.491 3.099 20 0 GGADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821014366 1450299725 /nfs/dbraw/zinc/29/97/25/1450299725.db2.gz FKWGCHUJIRDWDL-MLGOLLRUSA-N 0 1 376.892 3.359 20 0 GGADMN CCC[N@H+](Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)C[C@H]1CCCCO1 ZINC000825323321 1450322192 /nfs/dbraw/zinc/32/21/92/1450322192.db2.gz SQTIUNJIPIXVIL-LJQANCHMSA-N 0 1 395.511 3.048 20 0 GGADMN CCC[N@@H+](Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)C[C@H]1CCCCO1 ZINC000825323321 1450322195 /nfs/dbraw/zinc/32/21/95/1450322195.db2.gz SQTIUNJIPIXVIL-LJQANCHMSA-N 0 1 395.511 3.048 20 0 GGADMN CCC[N@H+](Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)C[C@H]1CCCCO1 ZINC000825323321 1450322201 /nfs/dbraw/zinc/32/22/01/1450322201.db2.gz SQTIUNJIPIXVIL-LJQANCHMSA-N 0 1 395.511 3.048 20 0 GGADMN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736101622 1450322295 /nfs/dbraw/zinc/32/22/95/1450322295.db2.gz OKKWTHHZRFFGDF-JXFKEZNVSA-N 0 1 390.491 3.099 20 0 GGADMN C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824600208 1450326624 /nfs/dbraw/zinc/32/66/24/1450326624.db2.gz YBYLKLBGANBVEF-GFCCVEGCSA-N 0 1 388.269 3.359 20 0 GGADMN FC(F)(F)C1(C(F)(F)F)CCN(CCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737627205 1450329993 /nfs/dbraw/zinc/32/99/93/1450329993.db2.gz MVBJIWMJZOUMHP-UHFFFAOYSA-N 0 1 395.307 3.062 20 0 GGADMN FC(F)(F)C1(C(F)(F)F)CC[N@H+](CCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737627205 1450329997 /nfs/dbraw/zinc/32/99/97/1450329997.db2.gz MVBJIWMJZOUMHP-UHFFFAOYSA-N 0 1 395.307 3.062 20 0 GGADMN FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CCOc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737627205 1450329999 /nfs/dbraw/zinc/32/99/99/1450329999.db2.gz MVBJIWMJZOUMHP-UHFFFAOYSA-N 0 1 395.307 3.062 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC000825980952 1450332174 /nfs/dbraw/zinc/33/21/74/1450332174.db2.gz MVJDKFVSGGEEEB-QGZVFWFLSA-N 0 1 381.505 3.383 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCSC1 ZINC000825980952 1450332177 /nfs/dbraw/zinc/33/21/77/1450332177.db2.gz MVJDKFVSGGEEEB-QGZVFWFLSA-N 0 1 381.505 3.383 20 0 GGADMN C[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)[C@@H]1CCSC1 ZINC000825980952 1450332180 /nfs/dbraw/zinc/33/21/80/1450332180.db2.gz MVJDKFVSGGEEEB-QGZVFWFLSA-N 0 1 381.505 3.383 20 0 GGADMN Cc1cc(C)n([C@H]2CCCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)C2)n1 ZINC000822197867 1450336741 /nfs/dbraw/zinc/33/67/41/1450336741.db2.gz SFOQFUGJNVIGET-INIZCTEOSA-N 0 1 388.479 3.378 20 0 GGADMN CC1CCN([C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)cs2)c2ccccc2)CC1 ZINC000820723211 1450347060 /nfs/dbraw/zinc/34/70/60/1450347060.db2.gz XLINAKLVXZFJAA-IBGZPJMESA-N 0 1 382.537 3.491 20 0 GGADMN NC(=O)CCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826390822 1450369099 /nfs/dbraw/zinc/36/90/99/1450369099.db2.gz NANDXAWNDIWABS-UHFFFAOYSA-N 0 1 390.491 3.011 20 0 GGADMN O[C@H](C[N@H+](Cc1ccccc1)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccco1 ZINC000823672479 1450372208 /nfs/dbraw/zinc/37/22/08/1450372208.db2.gz DZZMUNGDNNSSAQ-LJQANCHMSA-N 0 1 393.422 3.335 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccccc1)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccco1 ZINC000823672479 1450372212 /nfs/dbraw/zinc/37/22/12/1450372212.db2.gz DZZMUNGDNNSSAQ-LJQANCHMSA-N 0 1 393.422 3.335 20 0 GGADMN CSc1cc(CNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc23)ccn1 ZINC000826230241 1450373317 /nfs/dbraw/zinc/37/33/17/1450373317.db2.gz KTGCCDGCRSVDKD-UHFFFAOYSA-N 0 1 377.477 3.183 20 0 GGADMN CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735856494 1450375510 /nfs/dbraw/zinc/37/55/10/1450375510.db2.gz IFGYPXRBRIAZQW-QXMHVHEDSA-N 0 1 390.491 3.037 20 0 GGADMN CC(C)[N@H+](C)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735856494 1450375515 /nfs/dbraw/zinc/37/55/15/1450375515.db2.gz IFGYPXRBRIAZQW-QXMHVHEDSA-N 0 1 390.491 3.037 20 0 GGADMN CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735856494 1450375518 /nfs/dbraw/zinc/37/55/18/1450375518.db2.gz IFGYPXRBRIAZQW-QXMHVHEDSA-N 0 1 390.491 3.037 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736321608 1450375525 /nfs/dbraw/zinc/37/55/25/1450375525.db2.gz DLCYVXARRYPQKG-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN CC[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736321608 1450375529 /nfs/dbraw/zinc/37/55/29/1450375529.db2.gz DLCYVXARRYPQKG-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736321608 1450375536 /nfs/dbraw/zinc/37/55/36/1450375536.db2.gz DLCYVXARRYPQKG-LBPRGKRZSA-N 0 1 376.530 3.114 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@]4(O)CCCC[C@H]4C3)c2c1 ZINC000822195065 1450380947 /nfs/dbraw/zinc/38/09/47/1450380947.db2.gz FXZUMPGVOJSDLS-YCRPNKLZSA-N 0 1 378.480 3.163 20 0 GGADMN CSc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826230659 1450381214 /nfs/dbraw/zinc/38/12/14/1450381214.db2.gz DMBVOBBHLHMHSW-UHFFFAOYSA-N 0 1 381.509 3.060 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826305880 1450381528 /nfs/dbraw/zinc/38/15/28/1450381528.db2.gz KVVCPQCTGVJQQS-UHFFFAOYSA-N 0 1 388.479 3.005 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826305880 1450381531 /nfs/dbraw/zinc/38/15/31/1450381531.db2.gz KVVCPQCTGVJQQS-UHFFFAOYSA-N 0 1 388.479 3.005 20 0 GGADMN Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826305880 1450381533 /nfs/dbraw/zinc/38/15/33/1450381533.db2.gz KVVCPQCTGVJQQS-UHFFFAOYSA-N 0 1 388.479 3.005 20 0 GGADMN CC(C)[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000820121366 1450397010 /nfs/dbraw/zinc/39/70/10/1450397010.db2.gz QTPJSJQORCLRRO-UHFFFAOYSA-N 0 1 393.426 3.065 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000820121366 1450397018 /nfs/dbraw/zinc/39/70/18/1450397018.db2.gz QTPJSJQORCLRRO-UHFFFAOYSA-N 0 1 393.426 3.065 20 0 GGADMN C[C@@H]1CCC[C@@](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)([NH+](C)C)C1 ZINC000736247162 1450406129 /nfs/dbraw/zinc/40/61/29/1450406129.db2.gz AQZQWGZTDISNMZ-BDJLRTHQSA-N 0 1 383.422 3.203 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000820413499 1450406535 /nfs/dbraw/zinc/40/65/35/1450406535.db2.gz RAQZEEXGWYJSCN-UONOGXRCSA-N 0 1 378.436 3.235 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737419563 1450415628 /nfs/dbraw/zinc/41/56/28/1450415628.db2.gz DSOKCIGRVRYTLZ-DLBZAZTESA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737419563 1450415632 /nfs/dbraw/zinc/41/56/32/1450415632.db2.gz DSOKCIGRVRYTLZ-DLBZAZTESA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737419563 1450415634 /nfs/dbraw/zinc/41/56/34/1450415634.db2.gz DSOKCIGRVRYTLZ-DLBZAZTESA-N 0 1 390.491 3.382 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000735560271 1450433562 /nfs/dbraw/zinc/43/35/62/1450433562.db2.gz DFCBLZOLXSEFNU-UKRRQHHQSA-N 0 1 396.882 3.337 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000824284355 1450435403 /nfs/dbraw/zinc/43/54/03/1450435403.db2.gz GJUMOPBLJUDKDX-UHFFFAOYSA-N 0 1 382.434 3.442 20 0 GGADMN CC(C)[N@H+](C)CC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000824284355 1450435406 /nfs/dbraw/zinc/43/54/06/1450435406.db2.gz GJUMOPBLJUDKDX-UHFFFAOYSA-N 0 1 382.434 3.442 20 0 GGADMN CC(C)[N@@H+](C)CC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000824284355 1450435408 /nfs/dbraw/zinc/43/54/08/1450435408.db2.gz GJUMOPBLJUDKDX-UHFFFAOYSA-N 0 1 382.434 3.442 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000826168728 1450442183 /nfs/dbraw/zinc/44/21/83/1450442183.db2.gz WNKPXNGKHXXBQS-HNNXBMFYSA-N 0 1 381.505 3.490 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000826184984 1450442324 /nfs/dbraw/zinc/44/23/24/1450442324.db2.gz UDBSWLUBZGOHBR-UHFFFAOYSA-N 0 1 382.468 3.090 20 0 GGADMN O=C(CC[NH2+]C1(c2ccc(Cl)cc2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000826407650 1450444501 /nfs/dbraw/zinc/44/45/01/1450444501.db2.gz VTDJCZLNMOUXPC-UHFFFAOYSA-N 0 1 388.884 3.189 20 0 GGADMN Cc1ccccc1C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000822351733 1450445682 /nfs/dbraw/zinc/44/56/82/1450445682.db2.gz PRUSUPGEYIPQGK-UHFFFAOYSA-N 0 1 381.455 3.152 20 0 GGADMN CCN(CC)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccc(OC)c1 ZINC000821182730 1450449703 /nfs/dbraw/zinc/44/97/03/1450449703.db2.gz YBHLVBJJIKNGCI-QGZVFWFLSA-N 0 1 386.525 3.110 20 0 GGADMN c1ccc(SC[C@@H]2CC[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823792244 1450451677 /nfs/dbraw/zinc/45/16/77/1450451677.db2.gz QKJPOASKOYIMQR-MRXNPFEDSA-N 0 1 381.505 3.360 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825961361 1450461148 /nfs/dbraw/zinc/46/11/48/1450461148.db2.gz DLTZHUAAMQBIEN-ZFWWWQNUSA-N 0 1 396.303 3.325 20 0 GGADMN C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824585316 1450477012 /nfs/dbraw/zinc/47/70/12/1450477012.db2.gz PTRPZPFCLYLMPS-PBHICJAKSA-N 0 1 377.448 3.138 20 0 GGADMN C[C@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)c1ncc(-c2ccccc2)o1 ZINC000820420469 1450484771 /nfs/dbraw/zinc/48/47/71/1450484771.db2.gz RKHDQZKUZDMRPF-AWEZNQCLSA-N 0 1 376.420 3.251 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000820703305 1450488064 /nfs/dbraw/zinc/48/80/64/1450488064.db2.gz DPFCMBNGSUVRGP-ZIAGYGMSSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820703305 1450488068 /nfs/dbraw/zinc/48/80/68/1450488068.db2.gz DPFCMBNGSUVRGP-ZIAGYGMSSA-N 0 1 375.908 3.006 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000820703305 1450488069 /nfs/dbraw/zinc/48/80/69/1450488069.db2.gz DPFCMBNGSUVRGP-ZIAGYGMSSA-N 0 1 375.908 3.006 20 0 GGADMN Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000737279728 1450508473 /nfs/dbraw/zinc/50/84/73/1450508473.db2.gz MAACGTYNCIJTKT-SFHVURJKSA-N 0 1 378.436 3.000 20 0 GGADMN Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000737279728 1450508479 /nfs/dbraw/zinc/50/84/79/1450508479.db2.gz MAACGTYNCIJTKT-SFHVURJKSA-N 0 1 378.436 3.000 20 0 GGADMN C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824892414 1450510403 /nfs/dbraw/zinc/51/04/03/1450510403.db2.gz HXBCPLVDKMIWPV-YJBOKZPZSA-N 0 1 379.464 3.103 20 0 GGADMN CN(C[C@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C1)C(=O)OC(C)(C)C ZINC000825908493 1450524253 /nfs/dbraw/zinc/52/42/53/1450524253.db2.gz IORIGPPOEVAXSR-CYBMUJFWSA-N 0 1 392.529 3.007 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@@H](N2CCCC2=O)[C@@H]2OCCC[C@H]2C1 ZINC001164646011 719306046 /nfs/dbraw/zinc/30/60/46/719306046.db2.gz ATGGPPPHIKDICC-ZSZQSSIHSA-N 0 1 377.916 3.072 20 0 GGADMN CN1CCO[C@@H]2CN(c3ccc4cc(OCc5ccccc5)ccc4n3)C[C@@H]21 ZINC001164668039 719402306 /nfs/dbraw/zinc/40/23/06/719402306.db2.gz POSUYDLFFWALGN-FCHUYYIVSA-N 0 1 375.472 3.333 20 0 GGADMN CN1CCO[C@@H]2CN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C[C@@H]21 ZINC001164674835 719437479 /nfs/dbraw/zinc/43/74/79/719437479.db2.gz XPYTZCBQNFOHIB-RBUKOAKNSA-N 0 1 382.414 3.094 20 0 GGADMN CN1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C[C@H]21 ZINC001164669799 719480347 /nfs/dbraw/zinc/48/03/47/719480347.db2.gz VUFFSVUJQWKKFD-CABCVRRESA-N 0 1 381.263 3.095 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC001164678121 719546437 /nfs/dbraw/zinc/54/64/37/719546437.db2.gz JFHNHESJNRSGKC-PVAVHDDUSA-N 0 1 377.916 3.072 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@H](C(=O)N2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC001164678121 719546442 /nfs/dbraw/zinc/54/64/42/719546442.db2.gz JFHNHESJNRSGKC-PVAVHDDUSA-N 0 1 377.916 3.072 20 0 GGADMN COCc1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc(C)n1 ZINC001164694534 719807232 /nfs/dbraw/zinc/80/72/32/719807232.db2.gz ZZBFNHJCZFWETN-UHFFFAOYSA-N 0 1 387.553 3.331 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ncc4ncsc4n2)CC3)cs1 ZINC001164694345 719810151 /nfs/dbraw/zinc/81/01/51/719810151.db2.gz VLNTZOXSYCSKFL-UHFFFAOYSA-N 0 1 386.550 3.486 20 0 GGADMN CCn1cnc2c1ncnc2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164692692 719813994 /nfs/dbraw/zinc/81/39/94/719813994.db2.gz RBYVIAWZRIDGPZ-UHFFFAOYSA-N 0 1 397.552 3.246 20 0 GGADMN c1csc(CN2CCOC3(CCN(c4nccc(N5CCCC5)n4)CC3)C2)c1 ZINC001164702236 719886144 /nfs/dbraw/zinc/88/61/44/719886144.db2.gz PJMSIGKZHFQMJR-UHFFFAOYSA-N 0 1 399.564 3.010 20 0 GGADMN FC(F)Oc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164697100 719894336 /nfs/dbraw/zinc/89/43/36/719894336.db2.gz JQADSJCWMKIVRP-UHFFFAOYSA-N 0 1 396.463 3.011 20 0 GGADMN Nc1cc(F)c(Cl)nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696211 719895971 /nfs/dbraw/zinc/89/59/71/719895971.db2.gz CEGZRSXAYHFKQR-UHFFFAOYSA-N 0 1 396.919 3.389 20 0 GGADMN COc1nc(C)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1C ZINC001164707732 719904636 /nfs/dbraw/zinc/90/46/36/719904636.db2.gz WQWLEXQDCCRYQL-UHFFFAOYSA-N 0 1 388.537 3.035 20 0 GGADMN COc1ncc(Cl)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164706837 719904688 /nfs/dbraw/zinc/90/46/88/719904688.db2.gz LAIITXSMQSQNKV-UHFFFAOYSA-N 0 1 394.928 3.072 20 0 GGADMN CSc1nc2c(c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n1)CCCC2 ZINC001164722526 720377302 /nfs/dbraw/zinc/37/73/02/720377302.db2.gz DHXKRVHAUQKCSN-OALUTQOASA-N 0 1 381.549 3.326 20 0 GGADMN CSc1nc2c(c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n1)CCCC2 ZINC001164722528 720377647 /nfs/dbraw/zinc/37/76/47/720377647.db2.gz DHXKRVHAUQKCSN-RTBURBONSA-N 0 1 381.549 3.326 20 0 GGADMN c1ccc(COc2cnnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164724279 720399233 /nfs/dbraw/zinc/39/92/33/720399233.db2.gz IWZOWRYTSLPUJP-FGZHOGPDSA-N 0 1 387.487 3.304 20 0 GGADMN CSc1nc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2s1 ZINC001164730111 720413489 /nfs/dbraw/zinc/41/34/89/720413489.db2.gz HVGIZCKJPBPTAM-KBPBESRZSA-N 0 1 384.534 3.056 20 0 GGADMN CSc1nc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2s1 ZINC001164730139 720413644 /nfs/dbraw/zinc/41/36/44/720413644.db2.gz HVGIZCKJPBPTAM-UONOGXRCSA-N 0 1 384.534 3.056 20 0 GGADMN c1ccc(COc2cnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)cn2)cc1 ZINC001164726925 720415889 /nfs/dbraw/zinc/41/58/89/720415889.db2.gz CGQYRAGKOAHXMT-SFTDATJTSA-N 0 1 387.487 3.304 20 0 GGADMN Cc1sc2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1C ZINC001164733789 720552875 /nfs/dbraw/zinc/55/28/75/720552875.db2.gz SIGBHLYWQQEKER-UHFFFAOYSA-N 0 1 382.537 3.163 20 0 GGADMN FC(F)(Oc1cccnc1Cl)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164734087 720555830 /nfs/dbraw/zinc/55/58/30/720555830.db2.gz TXGNPDWYLLDXOO-UHFFFAOYSA-N 0 1 397.857 3.015 20 0 GGADMN Clc1nc2ccccc2nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164729686 720559012 /nfs/dbraw/zinc/55/90/12/720559012.db2.gz SXQLOKBDTREADJ-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Clc1ccc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)cnc2c1 ZINC001164727025 720559318 /nfs/dbraw/zinc/55/93/18/720559318.db2.gz AJLGOEKMHUOBFP-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Clc1ncnc2scc(N3CCc4ncc(CN5CCCC5)n4CC3)c21 ZINC001164728133 720559733 /nfs/dbraw/zinc/55/97/33/720559733.db2.gz KCZVZLNOSMMXIK-UHFFFAOYSA-N 0 1 388.928 3.200 20 0 GGADMN Clc1ccnc2cc(N3CCc4ncc(CN5CCCC5)n4CC3)ncc12 ZINC001164729594 720563521 /nfs/dbraw/zinc/56/35/21/720563521.db2.gz RLWZEKGIDLOQOB-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN Clc1ccnc2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc12 ZINC001164736317 720576248 /nfs/dbraw/zinc/57/62/48/720576248.db2.gz ICEGYDRGEBERSX-UHFFFAOYSA-N 0 1 382.899 3.138 20 0 GGADMN CSc1cc(Cl)cnc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736562 720578820 /nfs/dbraw/zinc/57/88/20/720578820.db2.gz NNFBMZZJPFDJGH-UHFFFAOYSA-N 0 1 377.945 3.312 20 0 GGADMN c1nc2n(c1CN1CCCC1)CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164736071 720581539 /nfs/dbraw/zinc/58/15/39/720581539.db2.gz ABOUOJNFLJTESZ-UHFFFAOYSA-N 0 1 394.548 3.035 20 0 GGADMN c1csc(-c2cc(N3CCc4ncc(CN5CCCC5)n4CC3)ncn2)c1 ZINC001164736116 720585516 /nfs/dbraw/zinc/58/55/16/720585516.db2.gz CZJHGFITZITBTC-UHFFFAOYSA-N 0 1 380.521 3.060 20 0 GGADMN CCc1nc2sccc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736682 720590868 /nfs/dbraw/zinc/59/08/68/720590868.db2.gz QQHXPHQQFKEGKZ-UHFFFAOYSA-N 0 1 382.537 3.109 20 0 GGADMN Clc1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740096 720670507 /nfs/dbraw/zinc/67/05/07/720670507.db2.gz PXXWPXXZBNECIY-HZPDHXFCSA-N 0 1 381.867 3.020 20 0 GGADMN O=C1CCCC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)N1 ZINC001164837447 720730948 /nfs/dbraw/zinc/73/09/48/720730948.db2.gz JWGYBIFJUFLCCB-UHFFFAOYSA-N 0 1 390.531 3.279 20 0 GGADMN CCOC(=O)c1ccc(C)c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164854966 720916274 /nfs/dbraw/zinc/91/62/74/720916274.db2.gz HAKVAZUPWYDQEM-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN COc1cccc2c1ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859811 720935793 /nfs/dbraw/zinc/93/57/93/720935793.db2.gz NPELEKHRSUQLGA-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CCOC(=O)c1cc(C)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862558 720935835 /nfs/dbraw/zinc/93/58/35/720935835.db2.gz WCXJRXUBPDDXFU-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN COC(=O)c1cc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164858509 720936009 /nfs/dbraw/zinc/93/60/09/720936009.db2.gz IXBAWBVHERTRTE-CYBMUJFWSA-N 0 1 391.903 3.140 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@H](F)Oc1ccnc(Cl)c1)[C@H]2C ZINC001164859159 720942807 /nfs/dbraw/zinc/94/28/07/720942807.db2.gz KQYVBGSMIRNAMG-UGSOOPFHSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1ccnc(Cl)c1)[C@H]2C ZINC001164859157 720943717 /nfs/dbraw/zinc/94/37/17/720943717.db2.gz KQYVBGSMIRNAMG-SCLBCKFNSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CSC3)[C@H]2C ZINC001164860493 720946878 /nfs/dbraw/zinc/94/68/78/720946878.db2.gz QEJJUJXHMYDPMM-LBPRGKRZSA-N 0 1 392.960 3.495 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ccn3C)[C@@H]2C ZINC001164860446 720948093 /nfs/dbraw/zinc/94/80/93/720948093.db2.gz PTFQEDCQVBCBBI-CYBMUJFWSA-N 0 1 387.919 3.240 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3c1C(=O)OC3(C)C)[C@H]2C ZINC001164863050 720954145 /nfs/dbraw/zinc/95/41/45/720954145.db2.gz XSORNFMQKFVOTB-AWEZNQCLSA-N 0 1 383.496 3.105 20 0 GGADMN CSc1nc(Cl)ncc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164859296 720960931 /nfs/dbraw/zinc/96/09/31/720960931.db2.gz MGSGGAGKVOBPKK-GFCCVEGCSA-N 0 1 380.949 3.470 20 0 GGADMN COc1c(Cl)nc(C)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164863396 720961123 /nfs/dbraw/zinc/96/11/23/720961123.db2.gz ZRBJOBIRRPDUJJ-LBPRGKRZSA-N 0 1 378.908 3.065 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1cccc(Cl)n1)[C@H]2C ZINC001164857746 720962921 /nfs/dbraw/zinc/96/29/21/720962921.db2.gz HAOGVIWPRMJFPN-SCLBCKFNSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ncsc31)[C@H]2C ZINC001164859949 720965081 /nfs/dbraw/zinc/96/50/81/720965081.db2.gz OPGVRHXUFBVNCV-NSHDSACASA-N 0 1 391.932 3.358 20 0 GGADMN CSc1cnc(Cl)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164859198 720967332 /nfs/dbraw/zinc/96/73/32/720967332.db2.gz LBQIHHAVVLCRCL-LBPRGKRZSA-N 0 1 380.949 3.470 20 0 GGADMN CCOC(=O)c1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ncc1C ZINC001164859789 720968030 /nfs/dbraw/zinc/96/80/30/720968030.db2.gz NORJKWISDWZGTF-INIZCTEOSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1N)[C@@H]2C ZINC001164859886 720968172 /nfs/dbraw/zinc/96/81/72/720968172.db2.gz ODNNJOZLDPRTSS-GFCCVEGCSA-N 0 1 398.889 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccnc(-c3cccnc3)n1)[C@@H]2C ZINC001164860365 720971676 /nfs/dbraw/zinc/97/16/76/720971676.db2.gz NAFFKTNGRXXTGK-MRXNPFEDSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccnc(-c3cccnc3)n1)[C@H]2C ZINC001164860364 720973307 /nfs/dbraw/zinc/97/33/07/720973307.db2.gz NAFFKTNGRXXTGK-INIZCTEOSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(C(=O)NC(C)(C)C)ccn1)[C@H]2C ZINC001164864113 720981743 /nfs/dbraw/zinc/98/17/43/720981743.db2.gz XNBGWSREPBLTDZ-INIZCTEOSA-N 0 1 398.555 3.228 20 0 GGADMN CCOC(=O)c1c(C)ccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164856330 720982570 /nfs/dbraw/zinc/98/25/70/720982570.db2.gz BLARBUJJXLUPJR-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc(-c3cccnc3F)n1)[C@@H]2C ZINC001164856321 720983968 /nfs/dbraw/zinc/98/39/68/720983968.db2.gz BJNNVMSNRJKSTA-OAHLLOKOSA-N 0 1 395.486 3.296 20 0 GGADMN COC(OC)c1cc(C)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164864196 720991847 /nfs/dbraw/zinc/99/18/47/720991847.db2.gz ZHKACULIPLNDJR-MRXNPFEDSA-N 0 1 387.528 3.299 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(N)c1)[C@H]2C ZINC001164857197 720996728 /nfs/dbraw/zinc/99/67/28/720996728.db2.gz CZMFTLMVKLLPHL-LBPRGKRZSA-N 0 1 398.889 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(N3CCC(C)CC3)nn1)[C@@H]2C ZINC001164858138 721005485 /nfs/dbraw/zinc/00/54/85/721005485.db2.gz HUNCIQFHNQNAGF-GOSISDBHSA-N 0 1 397.571 3.331 20 0 GGADMN Cc1noc(-c2cccnc2N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164860433 721005890 /nfs/dbraw/zinc/00/58/90/721005890.db2.gz OBKJPDMYTHBPKD-AWEZNQCLSA-N 0 1 381.484 3.058 20 0 GGADMN Cc1noc(-c2ccnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2)n1 ZINC001164860564 721007279 /nfs/dbraw/zinc/00/72/79/721007279.db2.gz ORQFEEDEJRRYSZ-CQSZACIVSA-N 0 1 381.484 3.058 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccncc3)nn1)[C@@H]2C ZINC001164863892 721009799 /nfs/dbraw/zinc/00/97/99/721009799.db2.gz VPZZCXSOYOTQID-MRXNPFEDSA-N 0 1 377.496 3.157 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C3CC3)nc3[nH]ccc31)[C@@H]2C ZINC001164864579 721017829 /nfs/dbraw/zinc/01/78/29/721017829.db2.gz YDRFWCSIOUOCAM-CQSZACIVSA-N 0 1 379.512 3.453 20 0 GGADMN FC(F)(c1ccnc(Cl)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867075 721046910 /nfs/dbraw/zinc/04/69/10/721046910.db2.gz HNIKPVIZRCNXOL-DLBZAZTESA-N 0 1 394.853 3.155 20 0 GGADMN Clc1ccc(Cl)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866238 721074309 /nfs/dbraw/zinc/07/43/09/721074309.db2.gz CZUOHZSPDSDIQQ-GJZGRUSLSA-N 0 1 379.291 3.263 20 0 GGADMN Clc1nc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870504 721074967 /nfs/dbraw/zinc/07/49/67/721074967.db2.gz WCOOAOLHPUWBHT-SJORKVTESA-N 0 1 395.894 3.158 20 0 GGADMN Cc1cc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc(Cl)n1 ZINC001164768641 721077051 /nfs/dbraw/zinc/07/70/51/721077051.db2.gz OAXJNQBRGRURHL-HOTGVXAUSA-N 0 1 395.885 3.280 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4F)C[C@H]3C2)cn1 ZINC001164768239 721078249 /nfs/dbraw/zinc/07/82/49/721078249.db2.gz MOWGCPFPHAUJRM-ZIAGYGMSSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc(F)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164767525 721085402 /nfs/dbraw/zinc/08/54/02/721085402.db2.gz MCWWBWOLUSTVRE-UONOGXRCSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4nc(Cl)ccc4F)C[C@@H]3C2)cn1 ZINC001164766461 721124269 /nfs/dbraw/zinc/12/42/69/721124269.db2.gz LOJIILPLWYQFEL-KBPBESRZSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4nc(Cl)ccc4F)C[C@H]3C2)cn1 ZINC001164766466 721124631 /nfs/dbraw/zinc/12/46/31/721124631.db2.gz LOJIILPLWYQFEL-UONOGXRCSA-N 0 1 399.848 3.111 20 0 GGADMN Cc1nc(C2CC2)nc(Cl)c1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878320 721154268 /nfs/dbraw/zinc/15/42/68/721154268.db2.gz PRSTZEUSQKZEOF-ROUUACIJSA-N 0 1 399.926 3.191 20 0 GGADMN Cc1nc(C2CC2)nc(Cl)c1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878317 721154829 /nfs/dbraw/zinc/15/48/29/721154829.db2.gz PRSTZEUSQKZEOF-QZTJIDSGSA-N 0 1 399.926 3.191 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(Cl)cn3)C2)C1 ZINC001164778837 721333814 /nfs/dbraw/zinc/33/38/14/721333814.db2.gz YXDXGZRWAFNQGE-HXUWFJFHSA-N 0 1 390.915 3.459 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(F)cc3C)C2)C1 ZINC001164776752 721340961 /nfs/dbraw/zinc/34/09/61/721340961.db2.gz CQBIEFKRUMHCMV-OAQYLSRUSA-N 0 1 388.487 3.253 20 0 GGADMN CCc1cc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164780863 721358977 /nfs/dbraw/zinc/35/89/77/721358977.db2.gz IHUSXHRWCNBYIB-QFIPXVFZSA-N 0 1 399.539 3.071 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(C)nc(C)c3C)C2)C1 ZINC001164780058 721369941 /nfs/dbraw/zinc/36/99/41/721369941.db2.gz CUJJQRXWQOFPLM-QFIPXVFZSA-N 0 1 399.539 3.126 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164884541 721405218 /nfs/dbraw/zinc/40/52/18/721405218.db2.gz DTFLPJBHPXMDFQ-OFNKIYASSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc(F)cc54)C3)O2)CC1 ZINC001164887078 721414381 /nfs/dbraw/zinc/41/43/81/721414381.db2.gz KTTKRYSSLCGIOI-REWPJTCUSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc(F)cc54)C3)O2)CC1 ZINC001164887077 721414648 /nfs/dbraw/zinc/41/46/48/721414648.db2.gz KTTKRYSSLCGIOI-OFNKIYASSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5ccc(F)cc54)C3)O2)CC1 ZINC001164887063 721414835 /nfs/dbraw/zinc/41/48/35/721414835.db2.gz KTTKRYSSLCGIOI-NFBKMPQASA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5c(F)cccc54)C3)O2)CC1 ZINC001164891069 721417118 /nfs/dbraw/zinc/41/71/18/721417118.db2.gz VBXSPBSRQFCTHL-WZONZLPQSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5ccsc5cn4)C3)O2)CC1 ZINC001164887720 721420224 /nfs/dbraw/zinc/42/02/24/721420224.db2.gz MQHODOIZMXTEDW-RXVVDRJESA-N 0 1 386.565 3.062 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5ccsc5cn4)C3)O2)CC1 ZINC001164887718 721420301 /nfs/dbraw/zinc/42/03/01/721420301.db2.gz MQHODOIZMXTEDW-GHTZIAJQSA-N 0 1 386.565 3.062 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5ccsc5cn4)C3)O2)CC1 ZINC001164887719 721420649 /nfs/dbraw/zinc/42/06/49/721420649.db2.gz MQHODOIZMXTEDW-NQIIRXRSSA-N 0 1 386.565 3.062 20 0 GGADMN Cc1cc(Cl)c(C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892560 721422725 /nfs/dbraw/zinc/42/27/25/721422725.db2.gz YTBWQQMSMCZFTP-NQIIRXRSSA-N 0 1 392.975 3.117 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccnc(Cl)n4)CCN3C2)c1 ZINC001164897022 721508253 /nfs/dbraw/zinc/50/82/53/721508253.db2.gz DJSGSXSYDPHURE-HIFRSBDPSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)cc4Cl)CCN3C2)c1 ZINC001164898526 721514734 /nfs/dbraw/zinc/51/47/34/721514734.db2.gz IHCWIYMLHHYQEW-OCCSQVGLSA-N 0 1 383.254 3.264 20 0 GGADMN CCc1ncnc(Cl)c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897271 721516004 /nfs/dbraw/zinc/51/60/04/721516004.db2.gz FNYPRLBJSHAWKZ-HOCLYGCPSA-N 0 1 376.863 3.173 20 0 GGADMN CSc1ncc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164898550 721519162 /nfs/dbraw/zinc/51/91/62/721519162.db2.gz IPMLJFCEWXISBS-UKRRQHHQSA-N 0 1 394.903 3.333 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)nc4)CCN3C2)c1 ZINC001164900047 721519591 /nfs/dbraw/zinc/51/95/91/721519591.db2.gz NNPOVSFINMLANA-HOCLYGCPSA-N 0 1 398.816 3.156 20 0 GGADMN Cc1nc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C ZINC001164795954 721525124 /nfs/dbraw/zinc/52/51/24/721525124.db2.gz VJOZDXJKEZZKMU-OKZBNKHCSA-N 0 1 387.915 3.010 20 0 GGADMN Cc1nc(C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164910986 721528607 /nfs/dbraw/zinc/52/86/07/721528607.db2.gz UWPFQFKIFLDYQW-NVXWUHKLSA-N 0 1 376.863 3.228 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cnc4Cl)CCN3C2)c1 ZINC001164907300 721530037 /nfs/dbraw/zinc/53/00/37/721530037.db2.gz MWKQRMVGDGBRMC-GXTWGEPZSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5ncccc5nc4Cl)CCN3C2)c1 ZINC001164904127 721533055 /nfs/dbraw/zinc/53/30/55/721533055.db2.gz FINIGPYRHDTXRG-HOCLYGCPSA-N 0 1 399.857 3.159 20 0 GGADMN Cc1nc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164903371 721534726 /nfs/dbraw/zinc/53/47/26/721534726.db2.gz CFPLECWIWGRLBX-RDJZCZTQSA-N 0 1 376.863 3.228 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnnc(Cl)c4)CCN3C2)c1 ZINC001164903337 721534959 /nfs/dbraw/zinc/53/49/59/721534959.db2.gz CDEYSBDSHMMDJO-GOEBONIOSA-N 0 1 398.816 3.156 20 0 GGADMN Cc1cccc2ncc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc12 ZINC001164805558 721548617 /nfs/dbraw/zinc/54/86/17/721548617.db2.gz MHOTWLLSLFTJJS-JTAQYXEDSA-N 0 1 389.503 3.201 20 0 GGADMN COc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164799915 721548919 /nfs/dbraw/zinc/54/89/19/721548919.db2.gz BZFXGZBSSHJAMA-ZWOKBUDYSA-N 0 1 388.899 3.007 20 0 GGADMN CSc1ncc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906359 721551141 /nfs/dbraw/zinc/55/11/41/721551141.db2.gz KCYJYKUNBKFJCR-UKRRQHHQSA-N 0 1 394.903 3.333 20 0 GGADMN Cc1cccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164803157 721557462 /nfs/dbraw/zinc/55/74/62/721557462.db2.gz JQDOLKOHIBLIGS-RZUBCFFCSA-N 0 1 389.503 3.201 20 0 GGADMN CC(C)Oc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164801822 721559723 /nfs/dbraw/zinc/55/97/23/721559723.db2.gz HHVZDVFLUBDRJB-RZUBCFFCSA-N 0 1 382.508 3.132 20 0 GGADMN CC(C)Oc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805769 721560520 /nfs/dbraw/zinc/56/05/20/721560520.db2.gz ORYDTMMBFZDRQS-XQBPLPMBSA-N 0 1 382.508 3.132 20 0 GGADMN CCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)n1 ZINC001164810451 721566205 /nfs/dbraw/zinc/56/62/05/721566205.db2.gz YJHVNJCNRRJSAQ-ONTIZHBOSA-N 0 1 381.524 3.001 20 0 GGADMN CC(C)COc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164802401 721571860 /nfs/dbraw/zinc/57/18/60/721571860.db2.gz IHKWLUNAGQIALX-QTEQDKRBSA-N 0 1 396.535 3.380 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164811290 721577460 /nfs/dbraw/zinc/57/74/60/721577460.db2.gz XDFXPAWMFVRABE-WAOWUJCRSA-N 0 1 381.524 3.037 20 0 GGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C(C)(C)C)n1 ZINC001164799295 721582446 /nfs/dbraw/zinc/58/24/46/721582446.db2.gz AQJSNYUXSUZSNM-SVFBPWRDSA-N 0 1 395.551 3.346 20 0 GGADMN Fc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904587 721584352 /nfs/dbraw/zinc/58/43/52/721584352.db2.gz RPPIOBQVJRXHRN-QGZVFWFLSA-N 0 1 397.832 3.402 20 0 GGADMN CCOc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164906957 721585841 /nfs/dbraw/zinc/58/58/41/721585841.db2.gz PMJSEOQXODPPIB-IBGZPJMESA-N 0 1 389.450 3.008 20 0 GGADMN CCCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncn1 ZINC001164805698 721586322 /nfs/dbraw/zinc/58/63/22/721586322.db2.gz LRUJUACQBVQDJU-JAXLGGSGSA-N 0 1 381.524 3.082 20 0 GGADMN CCCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncn1 ZINC001164805703 721586745 /nfs/dbraw/zinc/58/67/45/721586745.db2.gz LRUJUACQBVQDJU-RZUBCFFCSA-N 0 1 381.524 3.082 20 0 GGADMN CSCc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164810904 721587056 /nfs/dbraw/zinc/58/70/56/721587056.db2.gz WQXVAPRKCUASBA-SVFBPWRDSA-N 0 1 384.549 3.208 20 0 GGADMN Cc1ncc(F)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907867 721693429 /nfs/dbraw/zinc/69/34/29/721693429.db2.gz VKMFQOXCBJDPLL-GOSISDBHSA-N 0 1 377.414 3.057 20 0 GGADMN CCOc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164905423 721697189 /nfs/dbraw/zinc/69/71/89/721697189.db2.gz JCTMLGYLYIKGBQ-IBGZPJMESA-N 0 1 389.450 3.008 20 0 GGADMN CCOc1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907851 721698978 /nfs/dbraw/zinc/69/89/78/721698978.db2.gz VDGHJSWGDVBHQK-LJQANCHMSA-N 0 1 389.450 3.008 20 0 GGADMN FC1(F)CCN(c2ncc(C3CC3)cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904853 721707199 /nfs/dbraw/zinc/70/71/99/721707199.db2.gz DMHFVKBGMRGULO-FQEVSTJZSA-N 0 1 385.462 3.487 20 0 GGADMN FC1(F)CCN(c2ncc3cccnc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908739 721708519 /nfs/dbraw/zinc/70/85/19/721708519.db2.gz YVLZRTDKEJOAKJ-FQEVSTJZSA-N 0 1 396.445 3.158 20 0 GGADMN COc1ccc2nc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c(C)cc2c1 ZINC001165008790 721729754 /nfs/dbraw/zinc/72/97/54/721729754.db2.gz QTSJBVHNQXXPPL-UHFFFAOYSA-N 0 1 396.535 3.075 20 0 GGADMN FC1(F)CCN(c2cnc3c(n2)CCCC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913999 721732786 /nfs/dbraw/zinc/73/27/86/721732786.db2.gz ZWLFRGAUPPDVKM-OAQYLSRUSA-N 0 1 399.489 3.488 20 0 GGADMN FC1(F)CCN(c2ncc3c(n2)CCCC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911656 721733490 /nfs/dbraw/zinc/73/34/90/721733490.db2.gz JWPVTTRVCWHWBN-OAQYLSRUSA-N 0 1 399.489 3.488 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(Cl)ncn2)CC1 ZINC001165017374 721837319 /nfs/dbraw/zinc/83/73/19/721837319.db2.gz KVHOPMAMXBUIGE-UHFFFAOYSA-N 0 1 376.888 3.248 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(Cl)cn2)CC1 ZINC001165016382 721837683 /nfs/dbraw/zinc/83/76/83/721837683.db2.gz AWQQHOIVHPNVLH-UHFFFAOYSA-N 0 1 376.888 3.248 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)ncc2F)CC1 ZINC001165017145 721837853 /nfs/dbraw/zinc/83/78/53/721837853.db2.gz HYFWZXNBJMCHPZ-UHFFFAOYSA-N 0 1 394.878 3.387 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cncc(Cl)n2)CC1 ZINC001165021525 721838007 /nfs/dbraw/zinc/83/80/07/721838007.db2.gz NOGCFNRSTOAWQV-UHFFFAOYSA-N 0 1 376.888 3.248 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cnccc32)CC1 ZINC001165022308 721839072 /nfs/dbraw/zinc/83/90/72/721839072.db2.gz RAXNTXFGJQILAT-UHFFFAOYSA-N 0 1 393.491 3.143 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3c2CCCC3)CC1 ZINC001165021354 721840378 /nfs/dbraw/zinc/84/03/78/721840378.db2.gz LXVVAIULGUFZML-UHFFFAOYSA-N 0 1 396.535 3.473 20 0 GGADMN CCc1cc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)nc(C)n1 ZINC001165020294 721842487 /nfs/dbraw/zinc/84/24/87/721842487.db2.gz BVUDPRIVKFRWFH-UHFFFAOYSA-N 0 1 384.524 3.465 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)nc3c2CCC3)CC1 ZINC001165020255 721843106 /nfs/dbraw/zinc/84/31/06/721843106.db2.gz BEYNPQCOTOWRJB-UHFFFAOYSA-N 0 1 396.535 3.392 20 0 GGADMN COCc1ccc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165023094 721843917 /nfs/dbraw/zinc/84/39/17/721843917.db2.gz XDEQFVDSFIPHMP-UHFFFAOYSA-N 0 1 385.508 3.346 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cncc(SC)n2)CC1 ZINC001165031235 721844378 /nfs/dbraw/zinc/84/43/78/721844378.db2.gz ZAJUDIPZHJQBIU-UHFFFAOYSA-N 0 1 388.537 3.317 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc3c(n2)CCCC3)CC1 ZINC001165030977 721844809 /nfs/dbraw/zinc/84/48/09/721844809.db2.gz NJFNOTNYWUKKQH-UHFFFAOYSA-N 0 1 396.535 3.473 20 0 GGADMN C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001165039556 721917842 /nfs/dbraw/zinc/91/78/42/721917842.db2.gz SUBQADALHAFEPR-RBUKOAKNSA-N 0 1 395.551 3.310 20 0 GGADMN COC(=O)c1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1 ZINC001164938195 721920947 /nfs/dbraw/zinc/92/09/47/721920947.db2.gz JFAQRYGMLUUNJE-UHFFFAOYSA-N 0 1 395.503 3.048 20 0 GGADMN CSc1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164940452 721922567 /nfs/dbraw/zinc/92/25/67/721922567.db2.gz QNWMQBFVCQHZLK-UHFFFAOYSA-N 0 1 384.549 3.378 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4cc(N)cc(Cl)n4)CC3)C2)cc1 ZINC001164940507 721924296 /nfs/dbraw/zinc/92/42/96/721924296.db2.gz SFIWRXBYYCBMFS-UHFFFAOYSA-N 0 1 386.927 3.497 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4ncc5c(n4)CCCN5)CC3)C2)cc1 ZINC001164940993 721926138 /nfs/dbraw/zinc/92/61/38/721926138.db2.gz YJPUCXDGPBGCEU-UHFFFAOYSA-N 0 1 393.535 3.015 20 0 GGADMN CSc1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nn1 ZINC001164939955 721931385 /nfs/dbraw/zinc/93/13/85/721931385.db2.gz PEOLDXKVHNNULP-UHFFFAOYSA-N 0 1 384.549 3.378 20 0 GGADMN COc1nc(C)nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1C ZINC001164943214 721933264 /nfs/dbraw/zinc/93/32/64/721933264.db2.gz OKQZMKJGDVXECY-UHFFFAOYSA-N 0 1 396.535 3.282 20 0 GGADMN COc1ccc2nc(Cl)nc(N3CCN(CCOc4ccccc4)CC3)c2c1 ZINC001165042614 721952216 /nfs/dbraw/zinc/95/22/16/721952216.db2.gz PETLZTRNEPZAIH-UHFFFAOYSA-N 0 1 398.894 3.493 20 0 GGADMN Clc1cc(-c2ccncc2)c(N2CCN(CCOc3ccccc3)CC2)nn1 ZINC001165043031 721953439 /nfs/dbraw/zinc/95/34/39/721953439.db2.gz YZEYEDUHVUBWGH-UHFFFAOYSA-N 0 1 395.894 3.393 20 0 GGADMN COc1cc2c(cc1Cl)ncnc2N1CCN(CCOc2ccccc2)CC1 ZINC001165044756 721956691 /nfs/dbraw/zinc/95/66/91/721956691.db2.gz PIRIHFWRYIHTIS-UHFFFAOYSA-N 0 1 398.894 3.493 20 0 GGADMN COc1cc2ccc(N3CCN(CCOc4ccccc4)CC3)nc2cc1OC ZINC001165045621 721957192 /nfs/dbraw/zinc/95/71/92/721957192.db2.gz YEIFRQVLAAMBQT-UHFFFAOYSA-N 0 1 393.487 3.453 20 0 GGADMN Cc1nc(-c2ccncc2)nc(N2CCN(CCOc3ccccc3)CC2)c1C ZINC000301158585 721960482 /nfs/dbraw/zinc/96/04/82/721960482.db2.gz FAQJNGXDLUOSHV-UHFFFAOYSA-N 0 1 389.503 3.356 20 0 GGADMN COc1ccc2nc(N3CCN(CCOc4ccccc4)CC3)c(C)nc2c1 ZINC001165044778 721960893 /nfs/dbraw/zinc/96/08/93/721960893.db2.gz OEXDZIUFHJAWTO-UHFFFAOYSA-N 0 1 378.476 3.148 20 0 GGADMN Clc1nc2c(Cl)nccc2c(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165055086 722016445 /nfs/dbraw/zinc/01/64/45/722016445.db2.gz CHDRCBHOCVRREF-UHFFFAOYSA-N 0 1 389.290 3.091 20 0 GGADMN CC(C)n1ccc2c1nc(Cl)nc2N1CCN(CCc2ccccn2)CC1 ZINC001165056649 722016662 /nfs/dbraw/zinc/01/66/62/722016662.db2.gz ZILREMFLUOVUMO-UHFFFAOYSA-N 0 1 384.915 3.425 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001164960388 722035464 /nfs/dbraw/zinc/03/54/64/722035464.db2.gz UTOLBZILZPBVSJ-UTKZUKDTSA-N 0 1 384.911 3.394 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001164960386 722035502 /nfs/dbraw/zinc/03/55/02/722035502.db2.gz UTOLBZILZPBVSJ-LAUBAEHRSA-N 0 1 384.911 3.394 20 0 GGADMN c1cnc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164959410 722053704 /nfs/dbraw/zinc/05/37/04/722053704.db2.gz IMPCTQSRUMJKOT-UHFFFAOYSA-N 0 1 389.503 3.144 20 0 GGADMN CC(C)(C)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncn1 ZINC001164960648 722059917 /nfs/dbraw/zinc/05/99/17/722059917.db2.gz FUVHLBSBAFACNP-UHFFFAOYSA-N 0 1 395.551 3.288 20 0 GGADMN Fc1ccc(-c2ccc(Cl)nn2)c(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1 ZINC001164967471 722076521 /nfs/dbraw/zinc/07/65/21/722076521.db2.gz RHOXXFZWIBIOKB-IYBDPMFKSA-N 0 1 388.874 3.236 20 0 GGADMN Clc1ccc2c(Cl)nnc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1 ZINC001164967701 722076877 /nfs/dbraw/zinc/07/68/77/722076877.db2.gz JOLKGQIDAAKCLX-OKILXGFUSA-N 0 1 379.291 3.236 20 0 GGADMN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164982208 722112285 /nfs/dbraw/zinc/11/22/85/722112285.db2.gz WKLIHTTXSNTTSC-UGKGYDQZSA-N 0 1 389.503 3.061 20 0 GGADMN Cc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164985070 722134938 /nfs/dbraw/zinc/13/49/38/722134938.db2.gz ZCDPPJAGJKIRCC-MJGOQNOKSA-N 0 1 395.532 3.122 20 0 GGADMN CCOc1ccnc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1 ZINC001164994612 722181451 /nfs/dbraw/zinc/18/14/51/722181451.db2.gz ZQJWYAKDTGJCTR-MOPGFXCFSA-N 0 1 388.537 3.115 20 0 GGADMN CCOC(=O)c1cncnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993213 722191307 /nfs/dbraw/zinc/19/13/07/722191307.db2.gz CQJXDSYVQYXDHR-NRFANRHFSA-N 0 1 384.455 3.037 20 0 GGADMN CCOC(=O)c1cncnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993214 722191393 /nfs/dbraw/zinc/19/13/93/722191393.db2.gz CQJXDSYVQYXDHR-OAQYLSRUSA-N 0 1 384.455 3.037 20 0 GGADMN NC(=O)c1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164994223 722193912 /nfs/dbraw/zinc/19/39/12/722193912.db2.gz LTTGBWAQAZALAN-HXUWFJFHSA-N 0 1 388.874 3.218 20 0 GGADMN NC(=O)c1ccc(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995530 722200353 /nfs/dbraw/zinc/20/03/53/722200353.db2.gz NZUPYFGEGDSCRI-FQEVSTJZSA-N 0 1 388.874 3.218 20 0 GGADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cncc(N4CCCC4)n2)C3)c1 ZINC001164994509 722205031 /nfs/dbraw/zinc/20/50/31/722205031.db2.gz IFTMANJPVXWZDR-JOCHJYFZSA-N 0 1 381.499 3.461 20 0 GGADMN CCNC(=O)c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164994109 722207647 /nfs/dbraw/zinc/20/76/47/722207647.db2.gz GBSXFCZWXQBQAS-QFIPXVFZSA-N 0 1 382.483 3.215 20 0 GGADMN NC(=S)Nc1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164994630 722211579 /nfs/dbraw/zinc/21/15/79/722211579.db2.gz BZZHWMGIJBLVFE-FQEVSTJZSA-N 0 1 385.512 3.121 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1Cl ZINC000780352547 939108499 /nfs/dbraw/zinc/10/84/99/939108499.db2.gz WOSYANCXSFFNOL-DLBZAZTESA-N 0 1 381.904 3.275 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000780352578 939108608 /nfs/dbraw/zinc/10/86/08/939108608.db2.gz XNVZITFUDYKJQD-IAGOWNOFSA-N 0 1 375.856 3.068 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000312619433 939119627 /nfs/dbraw/zinc/11/96/27/939119627.db2.gz HNTKEVLDKZVJQS-AEFFLSMTSA-N 0 1 387.505 3.085 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3(C(=O)[O-])CCCC3)cc2)C1 ZINC000780426130 939120265 /nfs/dbraw/zinc/12/02/65/939120265.db2.gz JCISRURJKBSFIK-CALCHBBNSA-N 0 1 387.524 3.361 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@](C)(C(=O)[O-])C3CC3)cc2)C1 ZINC000780432591 939120849 /nfs/dbraw/zinc/12/08/49/939120849.db2.gz WIJLKXLZWCBTBQ-ZMPRRUGASA-N 0 1 387.524 3.217 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000780432546 939121114 /nfs/dbraw/zinc/12/11/14/939121114.db2.gz MFJQPLMXQOZNSB-LJQANCHMSA-N 0 1 375.513 3.360 20 0 GGADMN O=C([O-])C1(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000780495561 939128563 /nfs/dbraw/zinc/12/85/63/939128563.db2.gz KIRBUUJPESVZJQ-OAHLLOKOSA-N 0 1 379.526 3.047 20 0 GGADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000780494953 939128586 /nfs/dbraw/zinc/12/85/86/939128586.db2.gz HNJWHJPCXRPBNX-QAPCUYQASA-N 0 1 387.505 3.085 20 0 GGADMN CCC1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)(C(=O)[O-])CC1 ZINC000390428443 939134821 /nfs/dbraw/zinc/13/48/21/939134821.db2.gz NQGRLLWYNHFUCO-ZGGTZUKQSA-N 0 1 375.513 3.230 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000780633982 939141505 /nfs/dbraw/zinc/14/15/05/939141505.db2.gz IKQNCWNARZQTHE-FFZOFVMBSA-N 0 1 381.476 3.165 20 0 GGADMN C[C@H]1C[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000780633989 939141622 /nfs/dbraw/zinc/14/16/22/939141622.db2.gz IKQNCWNARZQTHE-PWIZWCRZSA-N 0 1 381.476 3.165 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000780633990 939141706 /nfs/dbraw/zinc/14/17/06/939141706.db2.gz IKQNCWNARZQTHE-UXPWSPDFSA-N 0 1 381.476 3.165 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000780633984 939141726 /nfs/dbraw/zinc/14/17/26/939141726.db2.gz IKQNCWNARZQTHE-LSTHTHJFSA-N 0 1 381.476 3.165 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000780698001 939146512 /nfs/dbraw/zinc/14/65/12/939146512.db2.gz YJMAUQVTEWDZSA-YFVAEKQCSA-N 0 1 395.503 3.412 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NC2(C(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000780698693 939147182 /nfs/dbraw/zinc/14/71/82/939147182.db2.gz AMDBSPMJJMBINA-CJNGLKHVSA-N 0 1 397.878 3.169 20 0 GGADMN COc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000900330596 939275111 /nfs/dbraw/zinc/27/51/11/939275111.db2.gz RPIZYUHWPWQZDQ-QFIPXVFZSA-N 0 1 397.475 3.245 20 0 GGADMN COc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000900330595 939275211 /nfs/dbraw/zinc/27/52/11/939275211.db2.gz RPIZYUHWPWQZDQ-JOCHJYFZSA-N 0 1 397.475 3.245 20 0 GGADMN CCOc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000908619866 939302292 /nfs/dbraw/zinc/30/22/92/939302292.db2.gz OXFGNXKLNMKULL-JOCHJYFZSA-N 0 1 397.475 3.326 20 0 GGADMN Cc1cc(NC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000908622709 939302303 /nfs/dbraw/zinc/30/23/03/939302303.db2.gz XULSATYRDWZJFG-OAQYLSRUSA-N 0 1 385.439 3.375 20 0 GGADMN 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GGADMN C[C@H](NCc1cccnc1OCC(F)(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000824627249 946875071 /nfs/dbraw/zinc/87/50/71/946875071.db2.gz VGQRSYPQQOCKQG-NSHDSACASA-N 0 1 378.358 3.054 20 0 GGADMN C[C@H](NCc1cn2cccnc2n1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824627122 946875524 /nfs/dbraw/zinc/87/55/24/946875524.db2.gz UVHMNAMBKZDXRO-HNNXBMFYSA-N 0 1 396.458 3.427 20 0 GGADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1C[C@@H](C)CC(C)(C)C1 ZINC000824974773 947013275 /nfs/dbraw/zinc/01/32/75/947013275.db2.gz FRNORSSIYAXJFE-RYUDHWBXSA-N 0 1 388.541 3.112 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824995280 947033856 /nfs/dbraw/zinc/03/38/56/947033856.db2.gz YDDYVZSJGSKSEB-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824995280 947033865 /nfs/dbraw/zinc/03/38/65/947033865.db2.gz YDDYVZSJGSKSEB-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824995280 947033877 /nfs/dbraw/zinc/03/38/77/947033877.db2.gz YDDYVZSJGSKSEB-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824995280 947033887 /nfs/dbraw/zinc/03/38/87/947033887.db2.gz YDDYVZSJGSKSEB-GFCCVEGCSA-N 0 1 389.916 3.077 20 0 GGADMN CCN(CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)C1CC1 ZINC000825395540 947174953 /nfs/dbraw/zinc/17/49/53/947174953.db2.gz RFTYNVKDWCJZLZ-HNNXBMFYSA-N 0 1 390.491 3.195 20 0 GGADMN CC[NH+](CC)CCCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825412550 947180432 /nfs/dbraw/zinc/18/04/32/947180432.db2.gz RHMWQVZMLLUIQT-UHFFFAOYSA-N 0 1 383.953 3.315 20 0 GGADMN CC[NH+](CC)CCCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825412550 947180440 /nfs/dbraw/zinc/18/04/40/947180440.db2.gz RHMWQVZMLLUIQT-UHFFFAOYSA-N 0 1 383.953 3.315 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825658890 947279458 /nfs/dbraw/zinc/27/94/58/947279458.db2.gz LHOUPUWGLIRZHW-HUUCEWRRSA-N 0 1 399.520 3.008 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000327331471 971388406 /nfs/dbraw/zinc/38/84/06/971388406.db2.gz CTSXMQOMVDZECV-CQSZACIVSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000327331471 971388413 /nfs/dbraw/zinc/38/84/13/971388413.db2.gz CTSXMQOMVDZECV-CQSZACIVSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000327377063 971393231 /nfs/dbraw/zinc/39/32/31/971393231.db2.gz BAKIKGPSLKCWEZ-INIZCTEOSA-N 0 1 379.243 3.443 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000327377063 971393233 /nfs/dbraw/zinc/39/32/33/971393233.db2.gz BAKIKGPSLKCWEZ-INIZCTEOSA-N 0 1 379.243 3.443 20 0 GGADMN C/C(=C/C1CCC(C)CC1)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001573364692 947724120 /nfs/dbraw/zinc/72/41/20/947724120.db2.gz IRVCQPFIRAIUNG-KAMYIIQDSA-N 0 1 392.467 3.159 20 0 GGADMN Cc1sc(NC(=O)CN[C@H](C)c2cccc(Cl)c2)c(-c2nn[nH]n2)c1C ZINC000826349671 948092392 /nfs/dbraw/zinc/09/23/92/948092392.db2.gz PNWVUURGRMKTOD-SNVBAGLBSA-N 0 1 390.900 3.488 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826349884 948094483 /nfs/dbraw/zinc/09/44/83/948094483.db2.gz YNZDZXACXKVJDU-AAEUAGOBSA-N 0 1 384.509 3.265 20 0 GGADMN Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826349887 948096324 /nfs/dbraw/zinc/09/63/24/948096324.db2.gz YNZDZXACXKVJDU-YPMHNXCESA-N 0 1 384.509 3.265 20 0 GGADMN Clc1cc(-c2nn[nH]n2)ccc1-n1ccc(NCc2ccc3nc[nH]c3c2)n1 ZINC000826351052 948096803 /nfs/dbraw/zinc/09/68/03/948096803.db2.gz VTJOCZJXBJHEHD-UHFFFAOYSA-N 0 1 391.826 3.194 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1nn[nH]n1 ZINC000826486621 948401115 /nfs/dbraw/zinc/40/11/15/948401115.db2.gz JTFNJBCNMLYIMP-UHFFFAOYSA-N 0 1 384.248 3.115 20 0 GGADMN C[C@@H](c1ccco1)N(C)S(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001575514588 949165987 /nfs/dbraw/zinc/16/59/87/949165987.db2.gz DFCYEWSIGJCFRX-JTQLQIEISA-N 0 1 389.462 3.056 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602795686 971557530 /nfs/dbraw/zinc/55/75/30/971557530.db2.gz LJWRIXLALWYGLH-ZYSHUDEJSA-N 0 1 389.455 3.362 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)CCCC(=O)[O-] ZINC001602795979 971558366 /nfs/dbraw/zinc/55/83/66/971558366.db2.gz QKKZXBRREMOUMW-AWEZNQCLSA-N 0 1 376.453 3.242 20 0 GGADMN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001574099896 949186197 /nfs/dbraw/zinc/18/61/97/949186197.db2.gz PUOQNKHEVWCGNT-HNAYVOBHSA-N 0 1 377.448 3.262 20 0 GGADMN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001574099894 949186669 /nfs/dbraw/zinc/18/66/69/949186669.db2.gz PUOQNKHEVWCGNT-BEFAXECRSA-N 0 1 377.448 3.262 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001589605682 949258625 /nfs/dbraw/zinc/25/86/25/949258625.db2.gz USQJBNXHWJXESG-WMLDXEAASA-N 0 1 376.280 3.310 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001589605683 949260770 /nfs/dbraw/zinc/26/07/70/949260770.db2.gz USQJBNXHWJXESG-YOEHRIQHSA-N 0 1 376.280 3.310 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC001589605680 949260819 /nfs/dbraw/zinc/26/08/19/949260819.db2.gz USQJBNXHWJXESG-PBHICJAKSA-N 0 1 376.280 3.310 20 0 GGADMN C[C@H](c1nc2ccccc2o1)N(C)CCOCc1ccc(-c2nn[nH]n2)cc1 ZINC001575521567 949264302 /nfs/dbraw/zinc/26/43/02/949264302.db2.gz GQSBHAFJLSUZSE-CQSZACIVSA-N 0 1 378.436 3.218 20 0 GGADMN O=C([O-])c1ccc(/C=C\C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)o1 ZINC001595226408 949298349 /nfs/dbraw/zinc/29/83/49/949298349.db2.gz WBWGJDMQXLICCI-VURMDHGXSA-N 0 1 380.444 3.040 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)cc1 ZINC001595227489 949317838 /nfs/dbraw/zinc/31/78/38/949317838.db2.gz OHVPEDMXZNQSRL-CQSZACIVSA-N 0 1 376.254 3.317 20 0 GGADMN CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C[NH+](C)C)on3)c2C(=O)[O-])C1 ZINC001589623237 949441247 /nfs/dbraw/zinc/44/12/47/949441247.db2.gz QSLJGUHHZKKSLU-SNVBAGLBSA-N 0 1 377.466 3.263 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCC[C@H](c3ncc(Br)cn3)C2)c1 ZINC001595242141 949476666 /nfs/dbraw/zinc/47/66/66/949476666.db2.gz IUDSZHFCUOYJCT-AWEZNQCLSA-N 0 1 376.254 3.317 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 ZINC000183934657 949494000 /nfs/dbraw/zinc/49/40/00/949494000.db2.gz BGJSSCDPMANDDO-HNNXBMFYSA-N 0 1 390.430 3.421 20 0 GGADMN C[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001602805069 971584740 /nfs/dbraw/zinc/58/47/40/971584740.db2.gz NGUIZIHJGMNPNL-MFKMUULPSA-N 0 1 380.794 3.102 20 0 GGADMN C[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001602805069 971584748 /nfs/dbraw/zinc/58/47/48/971584748.db2.gz NGUIZIHJGMNPNL-MFKMUULPSA-N 0 1 380.794 3.102 20 0 GGADMN O=C([O-])c1ccccc1C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001595250156 949549871 /nfs/dbraw/zinc/54/98/71/949549871.db2.gz CLOHNHNBXUDEDK-UHFFFAOYSA-N 0 1 387.501 3.179 20 0 GGADMN CCC[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589639278 949654159 /nfs/dbraw/zinc/65/41/59/949654159.db2.gz QSDTZBMNGCOWQF-HXUWFJFHSA-N 0 1 380.488 3.440 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001595270924 949823759 /nfs/dbraw/zinc/82/37/59/949823759.db2.gz JLSUAZJUHXUAPM-XLIONFOSSA-N 0 1 394.475 3.298 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001595271227 949826935 /nfs/dbraw/zinc/82/69/35/949826935.db2.gz OLGCQRWXAQZXBF-QFIPXVFZSA-N 0 1 394.475 3.300 20 0 GGADMN O=C([O-])Cc1sccc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000379209457 971614408 /nfs/dbraw/zinc/61/44/08/971614408.db2.gz MTXZQAZRFDPQQX-KRWDZBQOSA-N 0 1 386.517 3.407 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001595273195 949863047 /nfs/dbraw/zinc/86/30/47/949863047.db2.gz KARLNBQTJHQFML-UHFFFAOYSA-N 0 1 388.855 3.173 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001595273195 949863055 /nfs/dbraw/zinc/86/30/55/949863055.db2.gz KARLNBQTJHQFML-UHFFFAOYSA-N 0 1 388.855 3.173 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001595273541 949872397 /nfs/dbraw/zinc/87/23/97/949872397.db2.gz PPKVOHSLXPPOSV-HKUYNNGSSA-N 0 1 394.475 3.298 20 0 GGADMN CCC[N@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001589667706 949912788 /nfs/dbraw/zinc/91/27/88/949912788.db2.gz NPTWVUCSUAWBHN-HNNXBMFYSA-N 0 1 387.505 3.498 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001589667706 949912795 /nfs/dbraw/zinc/91/27/95/949912795.db2.gz NPTWVUCSUAWBHN-HNNXBMFYSA-N 0 1 387.505 3.498 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001589669652 949919188 /nfs/dbraw/zinc/91/91/88/949919188.db2.gz LFCQNWHJMRLTAA-HNNXBMFYSA-N 0 1 380.485 3.134 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)C1CC1 ZINC001602821660 971628925 /nfs/dbraw/zinc/62/89/25/971628925.db2.gz MADMVPBMXQUKQJ-HUUCEWRRSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1)C1CC1 ZINC001602821660 971628929 /nfs/dbraw/zinc/62/89/29/971628929.db2.gz MADMVPBMXQUKQJ-HUUCEWRRSA-N 0 1 392.496 3.275 20 0 GGADMN CC(C)(C)CC(C)(C)[NH+]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573842615 950152943 /nfs/dbraw/zinc/15/29/43/950152943.db2.gz JDBFMOPRFCWBBQ-UHFFFAOYSA-N 0 1 383.953 3.313 20 0 GGADMN CC(C)(C)CC(C)(C)[NH+]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573842615 950152953 /nfs/dbraw/zinc/15/29/53/950152953.db2.gz JDBFMOPRFCWBBQ-UHFFFAOYSA-N 0 1 383.953 3.313 20 0 GGADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263095688 950261591 /nfs/dbraw/zinc/26/15/91/950261591.db2.gz VHEGBMYITJHNAB-XJKSGUPXSA-N 0 1 381.398 3.493 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000263095685 950261875 /nfs/dbraw/zinc/26/18/75/950261875.db2.gz VHEGBMYITJHNAB-CZUORRHYSA-N 0 1 381.398 3.493 20 0 GGADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000263145874 950294482 /nfs/dbraw/zinc/29/44/82/950294482.db2.gz FADOMPVELQHHPB-HLIPFELVSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000263145877 950294575 /nfs/dbraw/zinc/29/45/75/950294575.db2.gz FADOMPVELQHHPB-MBOZVWFJSA-N 0 1 387.524 3.313 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263310638 950362085 /nfs/dbraw/zinc/36/20/85/950362085.db2.gz HXMMKDPPMDMRMD-ZTQAJYAQSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316434 950365031 /nfs/dbraw/zinc/36/50/31/950365031.db2.gz IUSROTICTNKWPJ-ZYHUDNBSSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000263316434 950365050 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CC(C)C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000424404309 953468346 /nfs/dbraw/zinc/46/83/46/953468346.db2.gz CBMCHFJZCJCDTC-SXLOBPIMSA-N 0 1 389.540 3.428 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000424407252 953472125 /nfs/dbraw/zinc/47/21/25/953472125.db2.gz GZTNDVLENKRBRD-RTBURBONSA-N 0 1 375.513 3.039 20 0 GGADMN CCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424407353 953472821 /nfs/dbraw/zinc/47/28/21/953472821.db2.gz SOEVVQNENFYYKA-FUHWJXTLSA-N 0 1 375.513 3.354 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C(=O)[O-] ZINC000424407943 953474045 /nfs/dbraw/zinc/47/40/45/953474045.db2.gz HOCJZDQZXMFNBS-IEBWSBKVSA-N 0 1 381.561 3.419 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424433299 953487067 /nfs/dbraw/zinc/48/70/67/953487067.db2.gz RMUJQNVVHOPSIR-LJQANCHMSA-N 0 1 389.540 3.431 20 0 GGADMN CC(C)C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424455075 953487907 /nfs/dbraw/zinc/48/79/07/953487907.db2.gz UNJOFEFLZWBXPZ-YZGWKJHDSA-N 0 1 389.540 3.333 20 0 GGADMN CCC(CC)(CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424449580 953488016 /nfs/dbraw/zinc/48/80/16/953488016.db2.gz LTAALASVQYBTNT-IEBWSBKVSA-N 0 1 389.540 3.477 20 0 GGADMN CC(C)C[C@H](CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424455072 953488890 /nfs/dbraw/zinc/48/88/90/953488890.db2.gz UNJOFEFLZWBXPZ-DFQSSKMNSA-N 0 1 389.540 3.333 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000449143234 953513064 /nfs/dbraw/zinc/51/30/64/953513064.db2.gz HQKMDLUVUODBPU-GPMSIDNRSA-N 0 1 390.524 3.305 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000520418162 953551570 /nfs/dbraw/zinc/55/15/70/953551570.db2.gz YIUIMKVHTJJVEW-HXUWFJFHSA-N 0 1 391.475 3.194 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2)C1 ZINC000520367572 953552211 /nfs/dbraw/zinc/55/22/11/953552211.db2.gz UDQUZIWORGISGD-FXAWDEMLSA-N 0 1 387.524 3.315 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000520418161 953552438 /nfs/dbraw/zinc/55/24/38/953552438.db2.gz YIUIMKVHTJJVEW-FQEVSTJZSA-N 0 1 391.475 3.194 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2)C1 ZINC001589284888 953553125 /nfs/dbraw/zinc/55/31/25/953553125.db2.gz GJAFMCPBDDVXOO-GJJHYRHESA-N 0 1 387.524 3.217 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000521580204 953554364 /nfs/dbraw/zinc/55/43/64/953554364.db2.gz PTBUSTQUEGXGMT-MSOLQXFVSA-N 0 1 387.524 3.457 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000532711702 953565508 /nfs/dbraw/zinc/56/55/08/953565508.db2.gz HUMYUNVRDQMHAM-SFHVURJKSA-N 0 1 396.487 3.069 20 0 GGADMN 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CCc1cc2c(C[N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)cc(=O)oc2cc1O ZINC001593633994 953598359 /nfs/dbraw/zinc/59/83/59/953598359.db2.gz JLDYAZRZMIYKNQ-GOSISDBHSA-N 0 1 379.412 3.245 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@H]1C(=O)[O-] ZINC000567382629 953631385 /nfs/dbraw/zinc/63/13/85/953631385.db2.gz OYDRSGUOHGIDTP-QRQLOZEOSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H]1C(=O)[O-] ZINC000567382628 953631669 /nfs/dbraw/zinc/63/16/69/953631669.db2.gz OYDRSGUOHGIDTP-NZSAHSFTSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H]1C(=O)[O-] ZINC000567382627 953631957 /nfs/dbraw/zinc/63/19/57/953631957.db2.gz OYDRSGUOHGIDTP-NEWSRXKRSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000569971028 953651895 /nfs/dbraw/zinc/65/18/95/953651895.db2.gz BSSXARQKIZDEOQ-HIFRSBDPSA-N 0 1 398.425 3.382 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000570212984 953654046 /nfs/dbraw/zinc/65/40/46/953654046.db2.gz WWOGIZZZSUNURQ-KSZLIROESA-N 0 1 388.508 3.013 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000570212984 953654051 /nfs/dbraw/zinc/65/40/51/953654051.db2.gz WWOGIZZZSUNURQ-KSZLIROESA-N 0 1 388.508 3.013 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@H]1C(=O)[O-] ZINC000571680109 953664341 /nfs/dbraw/zinc/66/43/41/953664341.db2.gz IOZGSZQLACODPF-CMPLNLGQSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@H]1C(=O)[O-] ZINC000571680109 953664346 /nfs/dbraw/zinc/66/43/46/953664346.db2.gz IOZGSZQLACODPF-CMPLNLGQSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@@H]1C(=O)[O-] ZINC000571680111 953664365 /nfs/dbraw/zinc/66/43/65/953664365.db2.gz IOZGSZQLACODPF-PWSUYJOCSA-N 0 1 395.431 3.069 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@@H]1C(=O)[O-] ZINC000571680111 953664370 /nfs/dbraw/zinc/66/43/70/953664370.db2.gz IOZGSZQLACODPF-PWSUYJOCSA-N 0 1 395.431 3.069 20 0 GGADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001594785357 953664467 /nfs/dbraw/zinc/66/44/67/953664467.db2.gz HFMKBZHHFHKEKZ-RTWAWAEBSA-N 0 1 392.499 3.101 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000577750684 953695660 /nfs/dbraw/zinc/69/56/60/953695660.db2.gz RGFRFODYWISCNV-FYINFDKHSA-N 0 1 398.528 3.265 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578867081 953705192 /nfs/dbraw/zinc/70/51/92/953705192.db2.gz HAEHFXVOSYGJOQ-FXAWDEMLSA-N 0 1 380.488 3.467 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000583440460 953728613 /nfs/dbraw/zinc/72/86/13/953728613.db2.gz GFLMLWAGSKSOBD-YLJYHZDGSA-N 0 1 380.488 3.325 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000583440459 953729498 /nfs/dbraw/zinc/72/94/98/953729498.db2.gz GFLMLWAGSKSOBD-XLIONFOSSA-N 0 1 380.488 3.325 20 0 GGADMN Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000584237319 953732755 /nfs/dbraw/zinc/73/27/55/953732755.db2.gz UJFDBPZEBAEGHL-DNVCBOLYSA-N 0 1 375.852 3.072 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000584573444 953734704 /nfs/dbraw/zinc/73/47/04/953734704.db2.gz UDJNULOPDVYKQB-INIZCTEOSA-N 0 1 380.444 3.043 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000584573444 953734715 /nfs/dbraw/zinc/73/47/15/953734715.db2.gz UDJNULOPDVYKQB-INIZCTEOSA-N 0 1 380.444 3.043 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000584469762 953734858 /nfs/dbraw/zinc/73/48/58/953734858.db2.gz WHQMBORWCKZQFZ-YCPHGPKFSA-N 0 1 379.526 3.240 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001589305437 953735189 /nfs/dbraw/zinc/73/51/89/953735189.db2.gz OJQOFSYBTQMKDE-GJZGRUSLSA-N 0 1 388.464 3.242 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000592990178 953747536 /nfs/dbraw/zinc/74/75/36/953747536.db2.gz RCHDLYNSSAYNSZ-ZIAGYGMSSA-N 0 1 396.509 3.137 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000592990178 953747542 /nfs/dbraw/zinc/74/75/42/953747542.db2.gz RCHDLYNSSAYNSZ-ZIAGYGMSSA-N 0 1 396.509 3.137 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000592990176 953748409 /nfs/dbraw/zinc/74/84/09/953748409.db2.gz RCHDLYNSSAYNSZ-KGLIPLIRSA-N 0 1 396.509 3.137 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000592990176 953748418 /nfs/dbraw/zinc/74/84/18/953748418.db2.gz RCHDLYNSSAYNSZ-KGLIPLIRSA-N 0 1 396.509 3.137 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001589308220 953765770 /nfs/dbraw/zinc/76/57/70/953765770.db2.gz LAOIMXCAULOHPP-SJORKVTESA-N 0 1 379.932 3.037 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001589308594 953776779 /nfs/dbraw/zinc/77/67/79/953776779.db2.gz VVMNGNMUDGOPDH-STQMWFEESA-N 0 1 395.525 3.121 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(C(=O)[O-])cn3)cc2)C1 ZINC000613931741 953788552 /nfs/dbraw/zinc/78/85/52/953788552.db2.gz CKVZSUPPAVZRDW-IYBDPMFKSA-N 0 1 381.476 3.188 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)cc2)C1 ZINC000626746974 953801002 /nfs/dbraw/zinc/80/10/02/953801002.db2.gz ZQIVXAWTLCIAPN-UWVAXJGDSA-N 0 1 387.524 3.171 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[C@H]1C(=O)[O-] ZINC000626754769 953808968 /nfs/dbraw/zinc/80/89/68/953808968.db2.gz NKDVCXFJYFBNAM-OXJNMPFZSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[C@H]1C(=O)[O-] ZINC000626754769 953808982 /nfs/dbraw/zinc/80/89/82/953808982.db2.gz NKDVCXFJYFBNAM-OXJNMPFZSA-N 0 1 399.491 3.164 20 0 GGADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[C@H]1C(=O)[O-] ZINC000626759862 953813354 /nfs/dbraw/zinc/81/33/54/953813354.db2.gz UQWNDOYUHACWLV-GHRYLNIYSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1C(=O)[O-] ZINC000626762676 953814863 /nfs/dbraw/zinc/81/48/63/953814863.db2.gz AQWPRNDBUOTGNV-RLLQIKCJSA-N 0 1 387.524 3.041 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1C(=O)[O-] ZINC000626762675 953815212 /nfs/dbraw/zinc/81/52/12/953815212.db2.gz AQWPRNDBUOTGNV-MISYRCLQSA-N 0 1 387.524 3.041 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000626767619 953816450 /nfs/dbraw/zinc/81/64/50/953816450.db2.gz ALTMUSORXYHZMP-GOSISDBHSA-N 0 1 375.513 3.039 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000629495234 953824136 /nfs/dbraw/zinc/82/41/36/953824136.db2.gz HXXKEGZHYHKZGH-HEFCMCLBSA-N 0 1 376.472 3.216 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000629494987 953825935 /nfs/dbraw/zinc/82/59/35/953825935.db2.gz GFXUGNYRCUKMCL-OLMNPRSZSA-N 0 1 378.488 3.462 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000629495862 953826056 /nfs/dbraw/zinc/82/60/56/953826056.db2.gz NRVBIYIMWPOJQH-RHSMWYFYSA-N 0 1 387.505 3.175 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000629495862 953826068 /nfs/dbraw/zinc/82/60/68/953826068.db2.gz NRVBIYIMWPOJQH-RHSMWYFYSA-N 0 1 387.505 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000629499186 953829144 /nfs/dbraw/zinc/82/91/44/953829144.db2.gz SKPCGJLKYZDURM-WBVHZDCISA-N 0 1 398.507 3.151 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000629498060 953830087 /nfs/dbraw/zinc/83/00/87/953830087.db2.gz HJLDUNGTZUVXSY-OXQOHEQNSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)(N(C)C)C1 ZINC001589315290 953829932 /nfs/dbraw/zinc/82/99/32/953829932.db2.gz HHDDLPIYEXHMQC-CBGDNZLLSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)(N(C)C)C1 ZINC001589315291 953830131 /nfs/dbraw/zinc/83/01/31/953830131.db2.gz HHDDLPIYEXHMQC-LLGFUMIMSA-N 0 1 377.529 3.181 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@H]1C(=O)[O-] ZINC000629502933 953831699 /nfs/dbraw/zinc/83/16/99/953831699.db2.gz SZTWLCCIHIMTFV-SUMWQHHRSA-N 0 1 398.425 3.239 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C(=O)[O-])[C@@H](C)C3)ccc2c1 ZINC000629503343 953832976 /nfs/dbraw/zinc/83/29/76/953832976.db2.gz WKLUDSGNLWWCFI-QYWGDWMGSA-N 0 1 398.503 3.238 20 0 GGADMN O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001594811595 953833364 /nfs/dbraw/zinc/83/33/64/953833364.db2.gz CIHYWDZOEWMJFI-KZNAEPCWSA-N 0 1 394.475 3.202 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)ccc2c1 ZINC000629503345 953833546 /nfs/dbraw/zinc/83/35/46/953833546.db2.gz WKLUDSGNLWWCFI-XFQAVAEZSA-N 0 1 398.503 3.238 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC[C@H]1C(=O)[O-] ZINC000629502929 953833736 /nfs/dbraw/zinc/83/37/36/953833736.db2.gz SZTWLCCIHIMTFV-CXAGYDPISA-N 0 1 398.425 3.239 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000630158476 953842459 /nfs/dbraw/zinc/84/24/59/953842459.db2.gz IUBYAGHZIDQYKZ-YJBOKZPZSA-N 0 1 378.900 3.408 20 0 GGADMN O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000630158476 953842485 /nfs/dbraw/zinc/84/24/85/953842485.db2.gz IUBYAGHZIDQYKZ-YJBOKZPZSA-N 0 1 378.900 3.408 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001589320073 953852681 /nfs/dbraw/zinc/85/26/81/953852681.db2.gz ACDZVVVZCSKOFX-OAHLLOKOSA-N 0 1 382.464 3.476 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001589320721 953867273 /nfs/dbraw/zinc/86/72/73/953867273.db2.gz URRJISAACKGTDB-HNNXBMFYSA-N 0 1 382.464 3.476 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001589320722 953867741 /nfs/dbraw/zinc/86/77/41/953867741.db2.gz URRJISAACKGTDB-OAHLLOKOSA-N 0 1 382.464 3.476 20 0 GGADMN O=C([O-])c1cncc(NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001594816969 953871220 /nfs/dbraw/zinc/87/12/20/953871220.db2.gz RPKCXCBETHHFKE-GOSISDBHSA-N 0 1 382.464 3.346 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000635019922 953874139 /nfs/dbraw/zinc/87/41/39/953874139.db2.gz FIIQXGAJECBQJX-OPAMFIHVSA-N 0 1 398.459 3.229 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635517441 953888592 /nfs/dbraw/zinc/88/85/92/953888592.db2.gz APNARBNUFROLCT-SOAGJPPSSA-N 0 1 387.524 3.374 20 0 GGADMN O=C([O-])C[C@H]1CCCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000635530572 953893788 /nfs/dbraw/zinc/89/37/88/953893788.db2.gz YEIICHKUXAPUAS-UXHICEINSA-N 0 1 387.524 3.328 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000643865274 953912441 /nfs/dbraw/zinc/91/24/41/953912441.db2.gz MQMBSEULMIXGMN-MSOLQXFVSA-N 0 1 390.524 3.417 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646153134 953933210 /nfs/dbraw/zinc/93/32/10/953933210.db2.gz KHHRJOOBOFUZFX-DZFIZOCASA-N 0 1 387.524 3.039 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001589328523 953934395 /nfs/dbraw/zinc/93/43/95/953934395.db2.gz RGYJVOQTMVZMOG-NZSAHSFTSA-N 0 1 387.524 3.007 20 0 GGADMN CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000646154835 953934901 /nfs/dbraw/zinc/93/49/01/953934901.db2.gz LOXYRBDSFQRTIM-VAMGGRTRSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H]1C(=O)[O-] ZINC000646154749 953935282 /nfs/dbraw/zinc/93/52/82/953935282.db2.gz DEGMWDVJDITOLP-GHRYLNIYSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001589334957 953985845 /nfs/dbraw/zinc/98/58/45/953985845.db2.gz VQCLTNUUSJKTBM-HNNXBMFYSA-N 0 1 382.464 3.333 20 0 GGADMN O=C([O-])[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC001594833273 953998766 /nfs/dbraw/zinc/99/87/66/953998766.db2.gz XSTCGALGEARCRS-PLACYPQZSA-N 0 1 384.520 3.294 20 0 GGADMN O=C([O-])[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC001594833272 953998906 /nfs/dbraw/zinc/99/89/06/953998906.db2.gz XSTCGALGEARCRS-MHTWAQMVSA-N 0 1 384.520 3.294 20 0 GGADMN CC(C)Oc1ccc(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1Cl ZINC000650500290 954016429 /nfs/dbraw/zinc/01/64/29/954016429.db2.gz WOVPESSIDNMRGL-HNNXBMFYSA-N 0 1 394.899 3.025 20 0 GGADMN C[C@H](CCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000652091988 954051951 /nfs/dbraw/zinc/05/19/51/954051951.db2.gz AWYJXNXJKWWZLS-WZONZLPQSA-N 0 1 397.519 3.239 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602974074 971981865 /nfs/dbraw/zinc/98/18/65/971981865.db2.gz DQIYAEUXTOQYCX-FQEVSTJZSA-N 0 1 384.476 3.036 20 0 GGADMN C[C@@](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000652095503 954059326 /nfs/dbraw/zinc/05/93/26/954059326.db2.gz JIVBFHIQGZYXKB-UGKGYDQZSA-N 0 1 387.524 3.125 20 0 GGADMN CCCCC[N@@H+](CCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000652100518 954065619 /nfs/dbraw/zinc/06/56/19/954065619.db2.gz GCOZDGSCBDHAIY-ICSRJNTNSA-N 0 1 389.540 3.431 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)c1ccc(F)cc1 ZINC001594843486 954105692 /nfs/dbraw/zinc/10/56/92/954105692.db2.gz LXIDRDKJEHNMRF-HNNXBMFYSA-N 0 1 378.201 3.151 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1F ZINC001589353732 954110439 /nfs/dbraw/zinc/11/04/39/954110439.db2.gz USEDZUOPLUGPLG-ZBFHGGJFSA-N 0 1 379.476 3.042 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccc(F)cc1 ZINC001594843921 954112266 /nfs/dbraw/zinc/11/22/66/954112266.db2.gz PIVNQHJHCMGCBZ-OAHLLOKOSA-N 0 1 378.201 3.380 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC=CCC1 ZINC000653308702 954123761 /nfs/dbraw/zinc/12/37/61/954123761.db2.gz QEYVDFPGWACVJV-LPHOPBHVSA-N 0 1 396.409 3.207 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC001593702170 954129957 /nfs/dbraw/zinc/12/99/57/954129957.db2.gz KYXDBSRHONNEML-UHFFFAOYSA-N 0 1 377.238 3.461 20 0 GGADMN CN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC001593702440 954134596 /nfs/dbraw/zinc/13/45/96/954134596.db2.gz PUWRUJNXBHRWDT-IBGZPJMESA-N 0 1 385.508 3.274 20 0 GGADMN CN(C)Cc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c2c1OC(F)(F)O2 ZINC001593702465 954134848 /nfs/dbraw/zinc/13/48/48/954134848.db2.gz RDLIZFCGYXZYRV-AWEZNQCLSA-N 0 1 386.439 3.439 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001589355759 954139738 /nfs/dbraw/zinc/13/97/38/954139738.db2.gz WBNGWFLBADJCJJ-JKSUJKDBSA-N 0 1 392.496 3.246 20 0 GGADMN O=C([O-])C1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCCCCC1 ZINC001594845989 954146844 /nfs/dbraw/zinc/14/68/44/954146844.db2.gz JMKUOCAABNGEAT-UHFFFAOYSA-N 0 1 384.520 3.461 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)[nH+]c1 ZINC000653327961 954155772 /nfs/dbraw/zinc/15/57/72/954155772.db2.gz BTCVHTXOSZWESP-MOPGFXCFSA-N 0 1 379.460 3.036 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cs1 ZINC000653328257 954156584 /nfs/dbraw/zinc/15/65/84/954156584.db2.gz GPWYVCUWNSXYNM-MOPGFXCFSA-N 0 1 399.516 3.093 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000653328540 954157099 /nfs/dbraw/zinc/15/70/99/954157099.db2.gz KGEWHGGRZAURIJ-JRGCBEDISA-N 0 1 378.472 3.328 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329377 954158496 /nfs/dbraw/zinc/15/84/96/954158496.db2.gz VRWQRBZTVXUAEY-AABGKKOBSA-N 0 1 382.435 3.220 20 0 GGADMN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000653329377 954158500 /nfs/dbraw/zinc/15/85/00/954158500.db2.gz VRWQRBZTVXUAEY-AABGKKOBSA-N 0 1 382.435 3.220 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CC[N@@H+](CC(=O)[O-])CC(C)(C)C)nc(N)c32)C1 ZINC001589364450 954179291 /nfs/dbraw/zinc/17/92/91/954179291.db2.gz UJFXGKIGTSDSAG-GFCCVEGCSA-N 0 1 390.553 3.374 20 0 GGADMN CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548690 954198418 /nfs/dbraw/zinc/19/84/18/954198418.db2.gz JDWHAOQULLLHGY-APWZRJJASA-N 0 1 375.513 3.094 20 0 GGADMN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCCC(=O)[O-] ZINC000655548690 954198425 /nfs/dbraw/zinc/19/84/25/954198425.db2.gz JDWHAOQULLLHGY-APWZRJJASA-N 0 1 375.513 3.094 20 0 GGADMN O=C([O-])C1(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC001594854016 954209402 /nfs/dbraw/zinc/20/94/02/954209402.db2.gz CLEBSPGBQJHOTR-XUVXKRRUSA-N 0 1 384.520 3.438 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC=CCC1 ZINC001594855457 954227135 /nfs/dbraw/zinc/22/71/35/954227135.db2.gz FEIRVHUJSYSKGT-QTDGGUCWSA-N 0 1 382.504 3.214 20 0 GGADMN O=C([O-])C1(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCCC1 ZINC001594855605 954229470 /nfs/dbraw/zinc/22/94/70/954229470.db2.gz GGLDPJIKVRKUHW-AABGKKOBSA-N 0 1 384.520 3.438 20 0 GGADMN C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000655868796 954255303 /nfs/dbraw/zinc/25/53/03/954255303.db2.gz HCFNMSCXKDUWKK-PBWTXFEYSA-N 0 1 389.540 3.332 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877171 954262754 /nfs/dbraw/zinc/26/27/54/954262754.db2.gz XRPAOFRRFXYWCS-DLBZAZTESA-N 0 1 383.920 3.379 20 0 GGADMN CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC000655877174 954263689 /nfs/dbraw/zinc/26/36/89/954263689.db2.gz XRPAOFRRFXYWCS-SJORKVTESA-N 0 1 383.920 3.379 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879348 954264229 /nfs/dbraw/zinc/26/42/29/954264229.db2.gz PRGVFOIFQFIXRL-WAARBJQMSA-N 0 1 387.524 3.084 20 0 GGADMN CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000655892836 954273967 /nfs/dbraw/zinc/27/39/67/954273967.db2.gz GJIGTYRCLAPFEB-NEWSRXKRSA-N 0 1 375.513 3.210 20 0 GGADMN C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906381 954289093 /nfs/dbraw/zinc/28/90/93/954289093.db2.gz LPLZJDWIRMBXJF-YTQUADARSA-N 0 1 393.572 3.419 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655905681 954289465 /nfs/dbraw/zinc/28/94/65/954289465.db2.gz BTNWERUZUAMGQQ-BPQIPLTHSA-N 0 1 381.561 3.275 20 0 GGADMN C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907131 954290266 /nfs/dbraw/zinc/29/02/66/954290266.db2.gz HJGXNIXCVJHFEU-NZSAHSFTSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659394177 954320513 /nfs/dbraw/zinc/32/05/13/954320513.db2.gz LCUZTHSXFRQIRB-CALCHBBNSA-N 0 1 387.524 3.219 20 0 GGADMN CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(=O)[O-] ZINC000659396635 954322993 /nfs/dbraw/zinc/32/29/93/954322993.db2.gz DYBTUGMLJJLDGP-IHPCNDPISA-N 0 1 389.540 3.333 20 0 GGADMN C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659403210 954328877 /nfs/dbraw/zinc/32/88/77/954328877.db2.gz HMXFMGQFOJAADI-FXAWDEMLSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000659417785 954342977 /nfs/dbraw/zinc/34/29/77/954342977.db2.gz RYEVXCPPRHOXJQ-PMACEKPBSA-N 0 1 389.540 3.429 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)CC(=O)[O-] ZINC000659417896 954343221 /nfs/dbraw/zinc/34/32/21/954343221.db2.gz AKMFOYIGXPOPNQ-SFHVURJKSA-N 0 1 393.503 3.180 20 0 GGADMN CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)CC(=O)[O-] ZINC000659417896 954343233 /nfs/dbraw/zinc/34/32/33/954343233.db2.gz AKMFOYIGXPOPNQ-SFHVURJKSA-N 0 1 393.503 3.180 20 0 GGADMN CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659755066 954357134 /nfs/dbraw/zinc/35/71/34/954357134.db2.gz VFJANRFJOYDQDH-PXNSSMCTSA-N 0 1 396.487 3.448 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000659755009 954357380 /nfs/dbraw/zinc/35/73/80/954357380.db2.gz UOVKONOZRLCAST-KRWDZBQOSA-N 0 1 396.487 3.312 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC[C@@H]1C(=O)[O-] ZINC001589395471 954363716 /nfs/dbraw/zinc/36/37/16/954363716.db2.gz IYIASGZQDCYOIZ-PIPMEXSNSA-N 0 1 392.499 3.203 20 0 GGADMN CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1F ZINC001589396004 954371492 /nfs/dbraw/zinc/37/14/92/954371492.db2.gz QLQSZSCZWUCDFO-GDBMZVCRSA-N 0 1 379.476 3.042 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC[C@@H]1C(=O)[O-] ZINC001589396096 954374163 /nfs/dbraw/zinc/37/41/63/954374163.db2.gz URFWEZUKCSHPIW-ZBFHGGJFSA-N 0 1 388.464 3.099 20 0 GGADMN C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC[C@H]1C(=O)[O-] ZINC001589396072 954375446 /nfs/dbraw/zinc/37/54/46/954375446.db2.gz UCPGUJVDMLMACG-QWHCGFSZSA-N 0 1 398.488 3.273 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC[C@H]1C(=O)[O-] ZINC001589396072 954375457 /nfs/dbraw/zinc/37/54/57/954375457.db2.gz UCPGUJVDMLMACG-QWHCGFSZSA-N 0 1 398.488 3.273 20 0 GGADMN C[N@H+]([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662207276 954380427 /nfs/dbraw/zinc/38/04/27/954380427.db2.gz WBHZYLWVRABXQC-HKUYNNGSSA-N 0 1 390.842 3.186 20 0 GGADMN C[N@@H+]([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662207276 954380438 /nfs/dbraw/zinc/38/04/38/954380438.db2.gz WBHZYLWVRABXQC-HKUYNNGSSA-N 0 1 390.842 3.186 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221544 954388846 /nfs/dbraw/zinc/38/88/46/954388846.db2.gz AQGZDXMKPSHVAD-QAPCUYQASA-N 0 1 388.826 3.268 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221544 954388855 /nfs/dbraw/zinc/38/88/55/954388855.db2.gz AQGZDXMKPSHVAD-QAPCUYQASA-N 0 1 388.826 3.268 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221305 954389969 /nfs/dbraw/zinc/38/99/69/954389969.db2.gz FCQOSRAKLOBPDP-INIZCTEOSA-N 0 1 388.851 3.361 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221537 954390172 /nfs/dbraw/zinc/39/01/72/954390172.db2.gz AQGZDXMKPSHVAD-MAUKXSAKSA-N 0 1 388.826 3.268 20 0 GGADMN O=C([O-])[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)Cc2ccccc21 ZINC000662221537 954390185 /nfs/dbraw/zinc/39/01/85/954390185.db2.gz AQGZDXMKPSHVAD-MAUKXSAKSA-N 0 1 388.826 3.268 20 0 GGADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221875 954390300 /nfs/dbraw/zinc/39/03/00/954390300.db2.gz GSECSGBFVDYBAV-HXUWFJFHSA-N 0 1 393.487 3.218 20 0 GGADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221875 954390312 /nfs/dbraw/zinc/39/03/12/954390312.db2.gz GSECSGBFVDYBAV-HXUWFJFHSA-N 0 1 393.487 3.218 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)Cc2ccccc21 ZINC000662221234 954390620 /nfs/dbraw/zinc/39/06/20/954390620.db2.gz CWHDCZROVJOETO-HNNXBMFYSA-N 0 1 376.815 3.492 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccc(I)cc2Cl)CC[C@@H]1C(=O)[O-] 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XJPCCGDYMUKRRM-IFMALSPDSA-N 0 1 378.472 3.254 20 0 GGADMN Cn1ncc(C(=O)[O-])c1C[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC001593751087 954410907 /nfs/dbraw/zinc/41/09/07/954410907.db2.gz FGSGNLNGDRCHCM-UHFFFAOYSA-N 0 1 399.470 3.492 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001589400291 954415730 /nfs/dbraw/zinc/41/57/30/954415730.db2.gz ZZUYCSDEVQIXPZ-IYBDPMFKSA-N 0 1 397.475 3.316 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001589400556 954422605 /nfs/dbraw/zinc/42/26/05/954422605.db2.gz DCHGLUGXIYAMLM-KRWDZBQOSA-N 0 1 381.476 3.300 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)O1 ZINC001589400856 954426253 /nfs/dbraw/zinc/42/62/53/954426253.db2.gz IQNJXGAIHSSFRM-FDDCHVKYSA-N 0 1 380.488 3.250 20 0 GGADMN C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001593754509 954437328 /nfs/dbraw/zinc/43/73/28/954437328.db2.gz ISJSJMTYVYLTMB-VQTJNVASSA-N 0 1 382.460 3.247 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589402130 954441281 /nfs/dbraw/zinc/44/12/81/954441281.db2.gz YUCUFZRSTPIEAV-RHSMWYFYSA-N 0 1 385.439 3.414 20 0 GGADMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593756767 954459533 /nfs/dbraw/zinc/45/95/33/954459533.db2.gz FXMSTCNADNSLSR-SFHVURJKSA-N 0 1 382.464 3.298 20 0 GGADMN CC1(C)C[N@H+](C2(CNC(=O)C3(C(=O)[O-])CCCCCC3)CCCCC2)CCO1 ZINC000663084791 954462948 /nfs/dbraw/zinc/46/29/48/954462948.db2.gz LOJXJFIDFNUZQE-UHFFFAOYSA-N 0 1 394.556 3.342 20 0 GGADMN C[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C[C@H]1OCCc2ccccc21 ZINC001593760334 954479539 /nfs/dbraw/zinc/47/95/39/954479539.db2.gz LCIIDRAGWXHFNE-YLJYHZDGSA-N 0 1 384.476 3.326 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001593760293 954479618 /nfs/dbraw/zinc/47/96/18/954479618.db2.gz IPIZGNSZYOVVOL-QAPCUYQASA-N 0 1 392.883 3.399 20 0 GGADMN C[N@@H+](Cc1ccc2nc(NC(=O)NCCCCC(=O)[O-])sc2c1)C1CC1 ZINC001593761139 954494784 /nfs/dbraw/zinc/49/47/84/954494784.db2.gz VPEQOKFFBHSWOO-UHFFFAOYSA-N 0 1 376.482 3.267 20 0 GGADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593763919 954498723 /nfs/dbraw/zinc/49/87/23/954498723.db2.gz VDVSLHRPMVSCHL-JOCHJYFZSA-N 0 1 382.460 3.339 20 0 GGADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593763919 954498737 /nfs/dbraw/zinc/49/87/37/954498737.db2.gz VDVSLHRPMVSCHL-JOCHJYFZSA-N 0 1 382.460 3.339 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)Cc2ccccc21 ZINC000663136664 954525105 /nfs/dbraw/zinc/52/51/05/954525105.db2.gz YQSCPOQVQZBIHN-RTWAWAEBSA-N 0 1 378.472 3.252 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)CC(=O)[O-] ZINC000663138522 954527642 /nfs/dbraw/zinc/52/76/42/954527642.db2.gz LIDXJYMREMQDEP-LMMKCTJWSA-N 0 1 390.524 3.163 20 0 GGADMN C[C@@H](CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)[N@H+]1CCC[C@H](C)C1 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/nfs/dbraw/zinc/56/08/54/954560854.db2.gz UQPRITHAVUCZRK-HXUWFJFHSA-N 0 1 381.476 3.191 20 0 GGADMN O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000682186624 954601581 /nfs/dbraw/zinc/60/15/81/954601581.db2.gz UYDFCCRRGZIGCQ-NRFANRHFSA-N 0 1 393.487 3.150 20 0 GGADMN O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000682186624 954601589 /nfs/dbraw/zinc/60/15/89/954601589.db2.gz UYDFCCRRGZIGCQ-NRFANRHFSA-N 0 1 393.487 3.150 20 0 GGADMN CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001589434050 954677326 /nfs/dbraw/zinc/67/73/26/954677326.db2.gz UGRANBYAGRUQDU-PQNGQFLHSA-N 0 1 394.515 3.398 20 0 GGADMN O=C([O-])C1CC2(C1)CC[C@H](C[NH2+]Cc1csc(COc3ccccc3)n1)O2 ZINC001594907512 954689430 /nfs/dbraw/zinc/68/94/30/954689430.db2.gz PSTFINSOTHLCHS-GBXVCHKXSA-N 0 1 388.489 3.224 20 0 GGADMN O=C([O-])C1CCC(O)(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001594911747 954712107 /nfs/dbraw/zinc/71/21/07/954712107.db2.gz DXMOHZBEDGSLQK-NSWWBONSSA-N 0 1 382.298 3.244 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCCC[C@@H]([C@H]4CCOC4)C3)o2)C1 ZINC001594914338 954726810 /nfs/dbraw/zinc/72/68/10/954726810.db2.gz FYFHVAVMNSGCJT-KURKYZTESA-N 0 1 376.497 3.219 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)o2)C1 ZINC001594914373 954728473 /nfs/dbraw/zinc/72/84/73/954728473.db2.gz GEKDCQDCDMMJEM-NUJGCVRESA-N 0 1 388.464 3.262 20 0 GGADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001589443279 954735541 /nfs/dbraw/zinc/73/55/41/954735541.db2.gz HUIKDVPSFLGZSR-MRXNPFEDSA-N 0 1 380.485 3.133 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)C3)o2)C1 ZINC001594915696 954749695 /nfs/dbraw/zinc/74/96/95/954749695.db2.gz KNKGGSVQGWCXFT-VGSWGCGISA-N 0 1 384.476 3.064 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@](O)(c4ccccc4)C3)o2)C1 ZINC001594915695 954749852 /nfs/dbraw/zinc/74/98/52/954749852.db2.gz KNKGGSVQGWCXFT-VGOFRKELSA-N 0 1 384.476 3.064 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3)o2)C1 ZINC001594916661 954759887 /nfs/dbraw/zinc/75/98/87/954759887.db2.gz OUAVEUMHBRBJOD-LJQANCHMSA-N 0 1 394.475 3.115 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3)o2)C1 ZINC001594916660 954760539 /nfs/dbraw/zinc/76/05/39/954760539.db2.gz OUAVEUMHBRBJOD-IBGZPJMESA-N 0 1 394.475 3.115 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccccc3OC(F)F)o2)C1 ZINC001594917385 954771595 /nfs/dbraw/zinc/77/15/95/954771595.db2.gz UCCWZIUFQCMWGA-CQSZACIVSA-N 0 1 380.391 3.472 20 0 GGADMN O=C([O-])[C@H]1CCCN(c2ccc(CN[C@H]3CC[N@H+](C4CCCCC4)C3)o2)C1 ZINC001594918905 954786128 /nfs/dbraw/zinc/78/61/28/954786128.db2.gz WFBRRUIDGXUSBW-IRXDYDNUSA-N 0 1 375.513 3.077 20 0 GGADMN O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@H]3CC[N@H+](C4CCCCC4)C3)o2)C1 ZINC001594918906 954787304 /nfs/dbraw/zinc/78/73/04/954787304.db2.gz WFBRRUIDGXUSBW-SJORKVTESA-N 0 1 375.513 3.077 20 0 GGADMN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)C3)o2)CC1 ZINC001594939498 954870803 /nfs/dbraw/zinc/87/08/03/954870803.db2.gz WVUSXTBYWMESLT-QFIPXVFZSA-N 0 1 384.476 3.064 20 0 GGADMN O=C([O-])[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)Cc2ccccc21 ZINC001594951325 954950427 /nfs/dbraw/zinc/95/04/27/954950427.db2.gz GXJVEMSZZLQAIW-KRWDZBQOSA-N 0 1 386.879 3.361 20 0 GGADMN O=C([O-])/C=C\c1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)co1 ZINC001594966161 955058280 /nfs/dbraw/zinc/05/82/80/955058280.db2.gz KKNWMFSCZIGFNX-WAYWQWQTSA-N 0 1 380.444 3.040 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](CCc1cccc(Cl)c1Cl)C[C@@H]2C(=O)[O-] ZINC001593823357 955062623 /nfs/dbraw/zinc/06/26/23/955062623.db2.gz DBHZXIWDNNHSKG-YNAXMUEKSA-N 0 1 386.275 3.122 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](CCc1cccc(Cl)c1Cl)C[C@H]2C(=O)[O-] ZINC001593823356 955062687 /nfs/dbraw/zinc/06/26/87/955062687.db2.gz DBHZXIWDNNHSKG-XYEKJYRLSA-N 0 1 386.275 3.122 20 0 GGADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc([C@@H](C)C(F)(F)F)cc1)C[C@@H]2C(=O)[O-] ZINC001593824607 955082585 /nfs/dbraw/zinc/08/25/85/955082585.db2.gz PRTGEGRFUNLLQJ-IIIKDITMSA-N 0 1 399.409 3.438 20 0 GGADMN COC(=O)C[N@H+](CCC1(C(=O)[O-])CCC1)Cc1cccc(Br)c1 ZINC001593851065 955457067 /nfs/dbraw/zinc/45/70/67/955457067.db2.gz YPAHCTHFEYJOKK-UHFFFAOYSA-N 0 1 384.270 3.069 20 0 GGADMN COC(=O)C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cccc(Br)c1 ZINC001593851065 955457075 /nfs/dbraw/zinc/45/70/75/955457075.db2.gz YPAHCTHFEYJOKK-UHFFFAOYSA-N 0 1 384.270 3.069 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000836692330 955557296 /nfs/dbraw/zinc/55/72/96/955557296.db2.gz GCVJFLQIIMLGAM-ZDUSSCGKSA-N 0 1 383.370 3.316 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840997458 955584498 /nfs/dbraw/zinc/58/44/98/955584498.db2.gz LHJNRGYWHJZRQC-CQSZACIVSA-N 0 1 376.888 3.197 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000840997458 955584503 /nfs/dbraw/zinc/58/45/03/955584503.db2.gz LHJNRGYWHJZRQC-CQSZACIVSA-N 0 1 376.888 3.197 20 0 GGADMN COC(=O)c1c(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866971 955588972 /nfs/dbraw/zinc/58/89/72/955588972.db2.gz UPUNPNUHNMIPIG-GOSISDBHSA-N 0 1 396.418 3.288 20 0 GGADMN COC(=O)c1c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593866971 955588979 /nfs/dbraw/zinc/58/89/79/955588979.db2.gz UPUNPNUHNMIPIG-GOSISDBHSA-N 0 1 396.418 3.288 20 0 GGADMN C[C@@H]1CC[N@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@H]1C(=O)[O-] ZINC000843040588 955619475 /nfs/dbraw/zinc/61/94/75/955619475.db2.gz KJIUJEUIBLMMQY-UKRRQHHQSA-N 0 1 376.888 3.134 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)C[C@H]1C(=O)[O-] ZINC000843040588 955619482 /nfs/dbraw/zinc/61/94/82/955619482.db2.gz KJIUJEUIBLMMQY-UKRRQHHQSA-N 0 1 376.888 3.134 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039600 955620424 /nfs/dbraw/zinc/62/04/24/955620424.db2.gz CIQGQJRCFNUIPC-ZBFHGGJFSA-N 0 1 390.915 3.443 20 0 GGADMN Cc1ccc(-n2c(Cl)c(C[N@@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)nc2N(C)C)cc1 ZINC000843039600 955620432 /nfs/dbraw/zinc/62/04/32/955620432.db2.gz CIQGQJRCFNUIPC-ZBFHGGJFSA-N 0 1 390.915 3.443 20 0 GGADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)cn1 ZINC001594539990 955627315 /nfs/dbraw/zinc/62/73/15/955627315.db2.gz YIAIAOYWOQZKMD-ROUUACIJSA-N 0 1 399.491 3.066 20 0 GGADMN C[C@@](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589053920 955681300 /nfs/dbraw/zinc/68/13/00/955681300.db2.gz MIHXMOPAROXXMF-UGKGYDQZSA-N 0 1 387.524 3.125 20 0 GGADMN COC(=O)c1ccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001593880134 955702067 /nfs/dbraw/zinc/70/20/67/955702067.db2.gz YTYXEELFTHTGFH-UHFFFAOYSA-N 0 1 378.222 3.224 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C(F)(F)F ZINC000846280533 955704952 /nfs/dbraw/zinc/70/49/52/955704952.db2.gz FOCDETYAUPIOBX-KBPBESRZSA-N 0 1 375.387 3.164 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000852735028 955842732 /nfs/dbraw/zinc/84/27/32/955842732.db2.gz JBJPCOSMMLDOPG-IERDGZPVSA-N 0 1 393.487 3.298 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000852735028 955842742 /nfs/dbraw/zinc/84/27/42/955842742.db2.gz JBJPCOSMMLDOPG-IERDGZPVSA-N 0 1 393.487 3.298 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000852735027 955843012 /nfs/dbraw/zinc/84/30/12/955843012.db2.gz JBJPCOSMMLDOPG-HRAATJIYSA-N 0 1 393.487 3.298 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000852735027 955843018 /nfs/dbraw/zinc/84/30/18/955843018.db2.gz JBJPCOSMMLDOPG-HRAATJIYSA-N 0 1 393.487 3.298 20 0 GGADMN C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC001589079717 955843297 /nfs/dbraw/zinc/84/32/97/955843297.db2.gz WEMZYNATAYFKKG-NSHDSACASA-N 0 1 378.822 3.428 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001603074718 972141909 /nfs/dbraw/zinc/14/19/09/972141909.db2.gz VSKHCHDHHWLFRA-IRXDYDNUSA-N 0 1 392.496 3.134 20 0 GGADMN C[C@@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589102786 956015734 /nfs/dbraw/zinc/01/57/34/956015734.db2.gz GOFJXIWAKADQRG-PKOFMYQESA-N 0 1 399.535 3.038 20 0 GGADMN C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589103502 956021678 /nfs/dbraw/zinc/02/16/78/956021678.db2.gz NTQWZXQBCMALOT-BVPXEZJJSA-N 0 1 399.535 3.149 20 0 GGADMN Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)n1 ZINC000873643851 956076562 /nfs/dbraw/zinc/07/65/62/956076562.db2.gz LNIUYKMKAKEUGI-JYJNAYRXSA-N 0 1 395.463 3.030 20 0 GGADMN Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)cs2)o1 ZINC000873645907 956092453 /nfs/dbraw/zinc/09/24/53/956092453.db2.gz SSQVMQDNLVLUHC-ZIAGYGMSSA-N 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/nfs/dbraw/zinc/68/81/73/957688173.db2.gz BDLIVULVCBCGOR-KMJFJPQNSA-N 0 1 391.487 3.006 20 0 GGADMN COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001594029312 957744515 /nfs/dbraw/zinc/74/45/15/957744515.db2.gz WDSIVYSCTAJYSP-QMBGAUKWSA-N 0 1 383.492 3.160 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC001332339420 957754975 /nfs/dbraw/zinc/75/49/75/957754975.db2.gz JCGHHRIMMLKQKS-SUMWQHHRSA-N 0 1 399.516 3.050 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001339721593 957869810 /nfs/dbraw/zinc/86/98/10/957869810.db2.gz ABKAABNAIYODMR-YSGRDPCXSA-N 0 1 381.476 3.119 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC001339811190 957880602 /nfs/dbraw/zinc/88/06/02/957880602.db2.gz GFGQKSMBXULEIM-IOMROCGXSA-N 0 1 393.487 3.121 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001574815269 957885592 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/nfs/dbraw/zinc/03/53/46/958035346.db2.gz GESWUPYOUVRCSC-INIZCTEOSA-N 0 1 388.464 3.230 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc(OC)c1 ZINC001594055980 958035359 /nfs/dbraw/zinc/03/53/59/958035359.db2.gz GESWUPYOUVRCSC-INIZCTEOSA-N 0 1 388.464 3.230 20 0 GGADMN COc1cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(F)cc1Br ZINC001594056276 958038125 /nfs/dbraw/zinc/03/81/25/958038125.db2.gz OHOCWWLQTHJZMG-UHFFFAOYSA-N 0 1 390.249 3.053 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)Cc2ccccc21 ZINC001345754388 958055306 /nfs/dbraw/zinc/05/53/06/958055306.db2.gz CBFOLKMJKUCOKO-NHCUHLMSSA-N 0 1 396.462 3.391 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)Cc2ccccc21 ZINC001345754388 958055319 /nfs/dbraw/zinc/05/53/19/958055319.db2.gz CBFOLKMJKUCOKO-NHCUHLMSSA-N 0 1 396.462 3.391 20 0 GGADMN C[C@@H]1[C@H](NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC001353015837 958136581 /nfs/dbraw/zinc/13/65/81/958136581.db2.gz RBJMWYKCAJVMHI-MAODMQOUSA-N 0 1 393.487 3.043 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001353128356 958144018 /nfs/dbraw/zinc/14/40/18/958144018.db2.gz ZRIGTUUFHBEDEJ-RLLQIKCJSA-N 0 1 387.524 3.041 20 0 GGADMN CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001353155803 958151252 /nfs/dbraw/zinc/15/12/52/958151252.db2.gz MRNUDKDVGXDXCA-IOMROCGXSA-N 0 1 393.487 3.216 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC001357173242 958190220 /nfs/dbraw/zinc/19/02/20/958190220.db2.gz OASGJBNLUZTJOZ-YSGRDPCXSA-N 0 1 381.476 3.119 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001523010236 958237837 /nfs/dbraw/zinc/23/78/37/958237837.db2.gz OQUMQFNUFBJVTH-GHTZIAJQSA-N 0 1 376.472 3.284 20 0 GGADMN CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001523010236 958237846 /nfs/dbraw/zinc/23/78/46/958237846.db2.gz OQUMQFNUFBJVTH-GHTZIAJQSA-N 0 1 376.472 3.284 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)C2=O)c1 ZINC001549035732 958245691 /nfs/dbraw/zinc/24/56/91/958245691.db2.gz FKNFPPLDTGFQRX-NSHGMRRFSA-N 0 1 396.462 3.430 20 0 GGADMN COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2c(C(=O)[O-])cnn2C)cc1OC ZINC001594088436 958335540 /nfs/dbraw/zinc/33/55/40/958335540.db2.gz KOCZFCFBLQEYCK-MRXNPFEDSA-N 0 1 387.480 3.123 20 0 GGADMN COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594089101 958340819 /nfs/dbraw/zinc/34/08/19/958340819.db2.gz KKUDREARDSNDIJ-QZTJIDSGSA-N 0 1 384.476 3.406 20 0 GGADMN COc1ccc(C[NH+](Cc2c(C(=O)[O-])cnn2C)Cc2ccc(OC)cc2)cc1 ZINC001594092957 958369264 /nfs/dbraw/zinc/36/92/64/958369264.db2.gz NIRXTOVEWUDXOD-UHFFFAOYSA-N 0 1 395.459 3.338 20 0 GGADMN COc1ccc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)c(Br)c1O ZINC001594094259 958385949 /nfs/dbraw/zinc/38/59/49/958385949.db2.gz DLFVRTJVDOUHIW-QGZVFWFLSA-N 0 1 380.238 3.253 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)C2)s1 ZINC001594359990 958438053 /nfs/dbraw/zinc/43/80/53/958438053.db2.gz GBXUUTLQZYOKOD-OAHLLOKOSA-N 0 1 392.565 3.474 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)Cc3ccccc3C(=O)[O-])C2)s1 ZINC001594360169 958440855 /nfs/dbraw/zinc/44/08/55/958440855.db2.gz LXXSIPXRIKQFKM-MRXNPFEDSA-N 0 1 386.517 3.278 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c(OC)c1 ZINC001594111934 958516862 /nfs/dbraw/zinc/51/68/62/958516862.db2.gz KJEPWAAGLGLKCP-HUUCEWRRSA-N 0 1 388.464 3.449 20 0 GGADMN Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594382585 958647776 /nfs/dbraw/zinc/64/77/76/958647776.db2.gz FTHXEWLBBADUDN-IRXDYDNUSA-N 0 1 394.393 3.244 20 0 GGADMN Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594382585 958647783 /nfs/dbraw/zinc/64/77/83/958647783.db2.gz FTHXEWLBBADUDN-IRXDYDNUSA-N 0 1 394.393 3.244 20 0 GGADMN O=C([O-])C1(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CCC1 ZINC001605732118 972369314 /nfs/dbraw/zinc/36/93/14/972369314.db2.gz WEPVYRKUZJESPX-LSDHHAIUSA-N 0 1 390.446 3.287 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001573413011 958748748 /nfs/dbraw/zinc/74/87/48/958748748.db2.gz DBPUBQJUFZBZMS-TVFCKZIOSA-N 0 1 380.529 3.456 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2nc(C[NH+]3CCC(C)(C(=O)[O-])CC3)sc2C1 ZINC001573456939 958903837 /nfs/dbraw/zinc/90/38/37/958903837.db2.gz ZPIIPTBSHWTXPW-UHFFFAOYSA-N 0 1 395.525 3.123 20 0 GGADMN C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588550920 959015791 /nfs/dbraw/zinc/01/57/91/959015791.db2.gz HMPKDHHWQKZRGA-BPQIPLTHSA-N 0 1 396.512 3.314 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588551699 959028940 /nfs/dbraw/zinc/02/89/40/959028940.db2.gz LAUMILNWJMZXLW-QINHECLXSA-N 0 1 378.472 3.427 20 0 GGADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588551698 959029327 /nfs/dbraw/zinc/02/93/27/959029327.db2.gz LAUMILNWJMZXLW-JXXFODFXSA-N 0 1 378.472 3.427 20 0 GGADMN CC(C)C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509489 959082643 /nfs/dbraw/zinc/08/26/43/959082643.db2.gz JDHUIKIHWKPFJO-DLBZAZTESA-N 0 1 382.451 3.007 20 0 GGADMN CC(C)C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001573509494 959083125 /nfs/dbraw/zinc/08/31/25/959083125.db2.gz JDHUIKIHWKPFJO-IRXDYDNUSA-N 0 1 382.451 3.007 20 0 GGADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC001588561228 959100025 /nfs/dbraw/zinc/10/00/25/959100025.db2.gz SIFTZSHLIQUOQD-LBPRGKRZSA-N 0 1 391.468 3.463 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC001588561227 959100243 /nfs/dbraw/zinc/10/02/43/959100243.db2.gz SIFTZSHLIQUOQD-GFCCVEGCSA-N 0 1 391.468 3.463 20 0 GGADMN CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3c(C(=O)[O-])cnn3C)CC2)cc1 ZINC001573539203 959182618 /nfs/dbraw/zinc/18/26/18/959182618.db2.gz BNHLDCIQBZRJRI-UHFFFAOYSA-N 0 1 383.492 3.412 20 0 GGADMN CC(C)N(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001573543647 959196043 /nfs/dbraw/zinc/19/60/43/959196043.db2.gz JYDHZOMWWGXLDL-HXUWFJFHSA-N 0 1 396.487 3.275 20 0 GGADMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594434715 959216043 /nfs/dbraw/zinc/21/60/43/959216043.db2.gz QHHMTTZIALCAJM-IPMKNSEASA-N 0 1 396.491 3.078 20 0 GGADMN C[C@H](CN(C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C(=O)[O-] ZINC001573588675 959384661 /nfs/dbraw/zinc/38/46/61/959384661.db2.gz SKHNFNMINZJQLW-LLVKDONJSA-N 0 1 376.482 3.075 20 0 GGADMN Cc1nc(C[N@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)sc1C ZINC001594452644 959391796 /nfs/dbraw/zinc/39/17/96/959391796.db2.gz XQKNOJWSQZGBTQ-HNNXBMFYSA-N 0 1 397.541 3.294 20 0 GGADMN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000178902396 959433302 /nfs/dbraw/zinc/43/33/02/959433302.db2.gz QAYOUYOHLJFKNU-HXUWFJFHSA-N 0 1 396.487 3.021 20 0 GGADMN Cc1nc(F)ccc1C[N@H+]1CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C1 ZINC001594458237 959438807 /nfs/dbraw/zinc/43/88/07/959438807.db2.gz WRFVHQNVPYOMGB-OAHLLOKOSA-N 0 1 395.475 3.063 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC001594476464 959600890 /nfs/dbraw/zinc/60/08/90/959600890.db2.gz BMLBYVNNEUNJDZ-GFCCVEGCSA-N 0 1 378.270 3.381 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594476542 959601926 /nfs/dbraw/zinc/60/19/26/959601926.db2.gz KGBKTRIOWSUSBP-YVEFUNNKSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC001594476550 959602766 /nfs/dbraw/zinc/60/27/66/959602766.db2.gz KUHJQOBCHSWKTI-QGZVFWFLSA-N 0 1 378.270 3.382 20 0 GGADMN CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](CC2(O)CCC(C(=O)[O-])CC2)C1 ZINC001573678889 959735601 /nfs/dbraw/zinc/73/56/01/959735601.db2.gz STRYJCWFRHURRQ-UHFFFAOYSA-N 0 1 397.519 3.263 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001588658813 960427254 /nfs/dbraw/zinc/42/72/54/960427254.db2.gz JMUUEOUJYWAUEJ-MRXNPFEDSA-N 0 1 387.249 3.298 20 0 GGADMN O=C([O-])[C@H]1C[C@@H](C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)C1 ZINC001123283943 960438126 /nfs/dbraw/zinc/43/81/26/960438126.db2.gz BPUYCVWDLMOEIP-ZACQAIPSSA-N 0 1 398.425 3.010 20 0 GGADMN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCC(=O)[O-] ZINC001574237289 960438191 /nfs/dbraw/zinc/43/81/91/960438191.db2.gz PAMOYISOTAKLRF-MRXNPFEDSA-N 0 1 378.469 3.154 20 0 GGADMN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCC(=O)[O-] ZINC001574237289 960438198 /nfs/dbraw/zinc/43/81/98/960438198.db2.gz PAMOYISOTAKLRF-MRXNPFEDSA-N 0 1 378.469 3.154 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001123294115 960448945 /nfs/dbraw/zinc/44/89/45/960448945.db2.gz YRJSYADXOFFPIT-ZIFCJYIRSA-N 0 1 388.508 3.313 20 0 GGADMN CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])C1 ZINC001123380076 960462478 /nfs/dbraw/zinc/46/24/78/960462478.db2.gz KFKUERHLBGESFK-SFTDATJTSA-N 0 1 382.504 3.321 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+](CC(=O)[O-])C3CCC3)o2)C1 ZINC001588667515 960463267 /nfs/dbraw/zinc/46/32/67/960463267.db2.gz PCGQICAHFJMUCU-HNNXBMFYSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@@H+](CC(=O)[O-])C3CCC3)o2)C1 ZINC001588667515 960463276 /nfs/dbraw/zinc/46/32/76/960463276.db2.gz PCGQICAHFJMUCU-HNNXBMFYSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)o2)C1 ZINC001588667577 960465290 /nfs/dbraw/zinc/46/52/90/960465290.db2.gz QDAGSPRFUZMPDC-BTYIYWSLSA-N 0 1 392.496 3.134 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)CC2 ZINC001123389281 960470626 /nfs/dbraw/zinc/47/06/26/960470626.db2.gz KABGNMIHJGBHDB-IBGZPJMESA-N 0 1 382.435 3.468 20 0 GGADMN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)CC2 ZINC001123389281 960470636 /nfs/dbraw/zinc/47/06/36/960470636.db2.gz KABGNMIHJGBHDB-IBGZPJMESA-N 0 1 382.435 3.468 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001138924950 960492647 /nfs/dbraw/zinc/49/26/47/960492647.db2.gz KIHQHROJPSRHQP-UHFFFAOYSA-N 0 1 392.496 3.229 20 0 GGADMN O=C([O-])COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001138926577 960494966 /nfs/dbraw/zinc/49/49/66/960494966.db2.gz LUIXIYXZJDJYBU-UHFFFAOYSA-N 0 1 384.259 3.451 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001138927255 960495651 /nfs/dbraw/zinc/49/56/51/960495651.db2.gz CLEFYNYQDJRRSS-KRWDZBQOSA-N 0 1 392.496 3.229 20 0 GGADMN C[C@H]1C[NH+](CCOc2ccccc2C(=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001573747534 960505823 /nfs/dbraw/zinc/50/58/23/960505823.db2.gz FDWRQKXKWAXQTK-GJZGRUSLSA-N 0 1 378.469 3.093 20 0 GGADMN C[C@@H]1C[NH+](CCOc2ccccc2C(=O)[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001573747535 960507045 /nfs/dbraw/zinc/50/70/45/960507045.db2.gz FDWRQKXKWAXQTK-HUUCEWRRSA-N 0 1 378.469 3.093 20 0 GGADMN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC001588674996 960534741 /nfs/dbraw/zinc/53/47/41/960534741.db2.gz LICZNBXLEAJUAS-KXBFYZLASA-N 0 1 386.558 3.306 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231456755 960604820 /nfs/dbraw/zinc/60/48/20/960604820.db2.gz IBJKUKBIOPUEQT-FQEVSTJZSA-N 0 1 378.444 3.499 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001231456755 960604834 /nfs/dbraw/zinc/60/48/34/960604834.db2.gz IBJKUKBIOPUEQT-FQEVSTJZSA-N 0 1 378.444 3.499 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC001231456518 960605728 /nfs/dbraw/zinc/60/57/28/960605728.db2.gz BRALOOFTIKQPFM-FQEVSTJZSA-N 0 1 378.444 3.357 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(=O)[O-])CC[C@@H]21 ZINC001238234891 960631929 /nfs/dbraw/zinc/63/19/29/960631929.db2.gz ZEMCNFIQOOPQIH-PBHICJAKSA-N 0 1 378.444 3.355 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001574275572 960632676 /nfs/dbraw/zinc/63/26/76/960632676.db2.gz SZBFRLFZBAQYHL-RHSMWYFYSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001574275572 960632690 /nfs/dbraw/zinc/63/26/90/960632690.db2.gz SZBFRLFZBAQYHL-RHSMWYFYSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001574282033 960649432 /nfs/dbraw/zinc/64/94/32/960649432.db2.gz MPJYZMJAISRWGS-FNXXIHLHSA-N 0 1 384.501 3.075 20 0 GGADMN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001574282033 960649440 /nfs/dbraw/zinc/64/94/40/960649440.db2.gz MPJYZMJAISRWGS-FNXXIHLHSA-N 0 1 384.501 3.075 20 0 GGADMN C[C@@H](c1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC001603286580 972524368 /nfs/dbraw/zinc/52/43/68/972524368.db2.gz HSCTWFHQPUKGIL-DLBZAZTESA-N 0 1 389.496 3.189 20 0 GGADMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603286592 972524623 /nfs/dbraw/zinc/52/46/23/972524623.db2.gz HVZVYQNJBFYKIE-QRFQSNJMSA-N 0 1 380.444 3.033 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCOc3ccccc3C(=O)[O-])C2)C1 ZINC001588691825 960724599 /nfs/dbraw/zinc/72/45/99/960724599.db2.gz SYGXBNQGLBCVQI-OAQYLSRUSA-N 0 1 390.480 3.097 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1C(=O)[O-] ZINC000236662409 960725373 /nfs/dbraw/zinc/72/53/73/960725373.db2.gz ROXRTTRMVIJUPB-UHFFFAOYSA-N 0 1 390.505 3.012 20 0 GGADMN CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001262157347 960789813 /nfs/dbraw/zinc/78/98/13/960789813.db2.gz CEUKFNHIAVBNFF-CABCVRRESA-N 0 1 377.435 3.123 20 0 GGADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001262158848 960794486 /nfs/dbraw/zinc/79/44/86/960794486.db2.gz ZRFXGNPLHVWZBC-CQSZACIVSA-N 0 1 385.411 3.283 20 0 GGADMN Cc1oc(CN(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC001262176353 960807684 /nfs/dbraw/zinc/80/76/84/960807684.db2.gz KFNGGUUOSBDEDV-SFHVURJKSA-N 0 1 384.476 3.199 20 0 GGADMN CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[C@@H](c2cnn(C)c2)C1 ZINC001262178323 960821571 /nfs/dbraw/zinc/82/15/71/960821571.db2.gz XMRYXGZLVZUUGR-RYGJVYDSSA-N 0 1 398.507 3.061 20 0 GGADMN Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)c1 ZINC001574322796 960835154 /nfs/dbraw/zinc/83/51/54/960835154.db2.gz VLODXJGIEYSTAT-FCHUYYIVSA-N 0 1 394.515 3.071 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC001588707071 960858338 /nfs/dbraw/zinc/85/83/38/960858338.db2.gz XCDFNDLTKZNZFQ-CYBMUJFWSA-N 0 1 396.488 3.049 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC001588707071 960858354 /nfs/dbraw/zinc/85/83/54/960858354.db2.gz XCDFNDLTKZNZFQ-CYBMUJFWSA-N 0 1 396.488 3.049 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)CC[C@@H]1C(F)(F)F ZINC001588707393 960868369 /nfs/dbraw/zinc/86/83/69/960868369.db2.gz CYALAWREDGTONB-STQMWFEESA-N 0 1 394.434 3.409 20 0 GGADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCc3cc(F)ccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629716 960876662 /nfs/dbraw/zinc/87/66/62/960876662.db2.gz MAANNVGHTSOGRI-OFNKIYASSA-N 0 1 396.462 3.091 20 0 GGADMN Cc1cc(Cl)ccc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263629093 960877299 /nfs/dbraw/zinc/87/72/99/960877299.db2.gz QRKHFXRLUWKHPO-NRFANRHFSA-N 0 1 386.879 3.498 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)Cc2ccc(Cl)s2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263630059 960879191 /nfs/dbraw/zinc/87/91/91/960879191.db2.gz YYLKAHZXAOVMSN-LJQANCHMSA-N 0 1 392.908 3.180 20 0 GGADMN CC(C)(C)OC(=O)NCC1(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCC1 ZINC001588708500 960893274 /nfs/dbraw/zinc/89/32/74/960893274.db2.gz HYHZQQWCDTWRBD-ZWKOTPCHSA-N 0 1 388.508 3.482 20 0 GGADMN Cc1cc(NC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)ccc1C(=O)[O-] ZINC001574338343 960926009 /nfs/dbraw/zinc/92/60/09/960926009.db2.gz OPFSOVIUVZVXTF-UHFFFAOYSA-N 0 1 377.485 3.048 20 0 GGADMN CC[C@@H]1C[N@@H+](CCOc2ccccc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001573831256 961020434 /nfs/dbraw/zinc/02/04/34/961020434.db2.gz ZBFBCHYEDOGRNT-WBVHZDCISA-N 0 1 392.496 3.389 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001588726591 961060995 /nfs/dbraw/zinc/06/09/95/961060995.db2.gz GMTUFFNSDQIXJQ-CVEARBPZSA-N 0 1 392.496 3.134 20 0 GGADMN CCC[N@H+](CC(=O)[O-])C[C@@H](CNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC001573854342 961140181 /nfs/dbraw/zinc/14/01/81/961140181.db2.gz ZPJBGUSREBASHV-MRXNPFEDSA-N 0 1 380.485 3.100 20 0 GGADMN CCN(C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001573874290 961230607 /nfs/dbraw/zinc/23/06/07/961230607.db2.gz OACNNZPBVVZHQJ-WBVHZDCISA-N 0 1 382.464 3.469 20 0 GGADMN CC[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C[C@@H](O)c1ccc(C)cc1 ZINC001573881785 961283161 /nfs/dbraw/zinc/28/31/61/961283161.db2.gz YHNBNZHLRXJBRN-AZUAARDMSA-N 0 1 386.492 3.445 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000261786649 961391942 /nfs/dbraw/zinc/39/19/42/961391942.db2.gz SOEOPPGSFMLACH-NSHDSACASA-N 0 1 387.249 3.104 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000261786649 961391961 /nfs/dbraw/zinc/39/19/61/961391961.db2.gz SOEOPPGSFMLACH-NSHDSACASA-N 0 1 387.249 3.104 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1c1ccc(F)cc1F ZINC001331963769 961439913 /nfs/dbraw/zinc/43/99/13/961439913.db2.gz SLJQSVTVKZHPMY-NWDGAFQWSA-N 0 1 375.297 3.007 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1c1ccc(F)cc1F ZINC001331963769 961439923 /nfs/dbraw/zinc/43/99/23/961439923.db2.gz SLJQSVTVKZHPMY-NWDGAFQWSA-N 0 1 375.297 3.007 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc3c[nH]nc31)CC2 ZINC001331968183 961447192 /nfs/dbraw/zinc/44/71/92/961447192.db2.gz ZGIUKHXLMGSWGR-QGZVFWFLSA-N 0 1 381.432 3.154 20 0 GGADMN C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001332035205 961457503 /nfs/dbraw/zinc/45/75/03/961457503.db2.gz YLFFTVASGZDWLY-RDJZCZTQSA-N 0 1 383.366 3.203 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588815362 961568071 /nfs/dbraw/zinc/56/80/71/961568071.db2.gz NPTUMHQRDVMXME-HXUWFJFHSA-N 0 1 384.476 3.036 20 0 GGADMN CCSc1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)ccn1 ZINC001573932096 961584302 /nfs/dbraw/zinc/58/43/02/961584302.db2.gz NJKREMSLSBLIFN-HNNXBMFYSA-N 0 1 375.494 3.377 20 0 GGADMN CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588827176 961679087 /nfs/dbraw/zinc/67/90/87/961679087.db2.gz NFQAORPGKIZXFH-AEFFLSMTSA-N 0 1 376.497 3.467 20 0 GGADMN O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349232 961695072 /nfs/dbraw/zinc/69/50/72/961695072.db2.gz FDIOILUASFVQLQ-XLIONFOSSA-N 0 1 379.460 3.041 20 0 GGADMN O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c2ccccc21 ZINC001333349232 961695082 /nfs/dbraw/zinc/69/50/82/961695082.db2.gz FDIOILUASFVQLQ-XLIONFOSSA-N 0 1 379.460 3.041 20 0 GGADMN C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001333371110 961710095 /nfs/dbraw/zinc/71/00/95/961710095.db2.gz XTNWEIUALGYQRF-MEDUHNTESA-N 0 1 380.803 3.193 20 0 GGADMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001333371110 961710107 /nfs/dbraw/zinc/71/01/07/961710107.db2.gz XTNWEIUALGYQRF-MEDUHNTESA-N 0 1 380.803 3.193 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000262544424 961765816 /nfs/dbraw/zinc/76/58/16/961765816.db2.gz 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GGADMN C[N@@H+](Cc1ccc2nc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)sc2c1)C1CC1 ZINC001574019691 961954423 /nfs/dbraw/zinc/95/44/23/961954423.db2.gz GOUGIUHIPBVWRX-CYBMUJFWSA-N 0 1 388.493 3.219 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000262893571 961967594 /nfs/dbraw/zinc/96/75/94/961967594.db2.gz CEXDJQBXPGUHQY-FQEVSTJZSA-N 0 1 381.476 3.239 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001338437137 961993657 /nfs/dbraw/zinc/99/36/57/961993657.db2.gz WNWFJSVCKUYNPZ-TYCQWZJGSA-N 0 1 399.535 3.313 20 0 GGADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001574557048 961996880 /nfs/dbraw/zinc/99/68/80/961996880.db2.gz YHCCUHJJAUKZME-KRWDZBQOSA-N 0 1 390.480 3.287 20 0 GGADMN C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)c2)C1 ZINC001574031631 962025313 /nfs/dbraw/zinc/02/53/13/962025313.db2.gz ZXJLPGCBDYBDAI-XXBNENTESA-N 0 1 380.488 3.268 20 0 GGADMN 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ZINC001352882259 962640360 /nfs/dbraw/zinc/64/03/60/962640360.db2.gz GPUHKUHLGFJBLA-KRWDZBQOSA-N 0 1 394.393 3.469 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC001352882259 962640370 /nfs/dbraw/zinc/64/03/70/962640370.db2.gz GPUHKUHLGFJBLA-KRWDZBQOSA-N 0 1 394.393 3.469 20 0 GGADMN C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263482613 962668714 /nfs/dbraw/zinc/66/87/14/962668714.db2.gz OJABIZUTIVTWOH-MRXNPFEDSA-N 0 1 392.459 3.314 20 0 GGADMN O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001356607221 962742931 /nfs/dbraw/zinc/74/29/31/962742931.db2.gz DRVAYLLGOLOVBF-TZIWHRDSSA-N 0 1 393.487 3.045 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356632072 962749979 /nfs/dbraw/zinc/74/99/79/962749979.db2.gz UHMVTIAYQNEXLR-SXLOBPIMSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001517332287 962765823 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LMONVEKYEUKFJX-PNHOKKKMSA-N 0 1 380.444 3.016 20 0 GGADMN Cn1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1Cl ZINC001549076809 962952724 /nfs/dbraw/zinc/95/27/24/962952724.db2.gz XEEVPUZQPZFULM-NWDGAFQWSA-N 0 1 387.789 3.393 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1c1ccc(Cl)cc1 ZINC001549225078 962958851 /nfs/dbraw/zinc/95/88/51/962958851.db2.gz LVHRIQOJOUMQHY-LZLYRXPVSA-N 0 1 381.806 3.452 20 0 GGADMN COc1ccnc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1OC ZINC001549226529 962959405 /nfs/dbraw/zinc/95/94/05/962959405.db2.gz UNOVVOSDNWZVOP-LSDHHAIUSA-N 0 1 376.840 3.052 20 0 GGADMN CS(=O)(=O)c1ccc(C[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001549225723 962960138 /nfs/dbraw/zinc/96/01/38/962960138.db2.gz OCMYMVIZJBRBKR-ZWKOTPCHSA-N 0 1 393.892 3.044 20 0 GGADMN CS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001549225723 962960150 /nfs/dbraw/zinc/96/01/50/962960150.db2.gz OCMYMVIZJBRBKR-ZWKOTPCHSA-N 0 1 393.892 3.044 20 0 GGADMN Cn1cc(-c2cc(C[N@@H+]3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)on2)cn1 ZINC001553745927 963051886 /nfs/dbraw/zinc/05/18/86/963051886.db2.gz IMNORLYEWCNRKK-DLBZAZTESA-N 0 1 386.839 3.029 20 0 GGADMN Cc1cc(C)n2c(C[N@@H+]3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)cnc2n1 ZINC001553883592 963053436 /nfs/dbraw/zinc/05/34/36/963053436.db2.gz VIXFKPUBBYUEES-ZWKOTPCHSA-N 0 1 384.867 3.300 20 0 GGADMN O=C([O-])c1c(F)cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000312441996 963563300 /nfs/dbraw/zinc/56/33/00/963563300.db2.gz BQTWPFXBKLFCSK-CYBMUJFWSA-N 0 1 375.375 3.059 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(I)c1 ZINC000314697592 963794302 /nfs/dbraw/zinc/79/43/02/963794302.db2.gz BTKSSDNRAKUWFW-INIZCTEOSA-N 0 1 393.224 3.475 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(I)c1 ZINC000314697592 963794306 /nfs/dbraw/zinc/79/43/06/963794306.db2.gz BTKSSDNRAKUWFW-INIZCTEOSA-N 0 1 393.224 3.475 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001573437681 964069972 /nfs/dbraw/zinc/06/99/72/964069972.db2.gz UZOZVXBMIHXZHP-KGLIPLIRSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001573437683 964070450 /nfs/dbraw/zinc/07/04/50/964070450.db2.gz UZOZVXBMIHXZHP-UONOGXRCSA-N 0 1 376.444 3.208 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000263212397 967862909 /nfs/dbraw/zinc/86/29/09/967862909.db2.gz ZIBBDHWMBDXCEM-BBRMVZONSA-N 0 1 384.398 3.388 20 0 GGADMN O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000263225411 967863779 /nfs/dbraw/zinc/86/37/79/967863779.db2.gz ZXURUGSEUPJYTP-SJLPKXTDSA-N 0 1 376.472 3.141 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)cs2)c(OC)c1 ZINC000263321685 967869684 /nfs/dbraw/zinc/86/96/84/967869684.db2.gz JRIVPBWDENJWLQ-CHWSQXEVSA-N 0 1 376.478 3.370 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000263494266 967897011 /nfs/dbraw/zinc/89/70/11/967897011.db2.gz SFVOUXXDBMMWBJ-SJORKVTESA-N 0 1 381.476 3.189 20 0 GGADMN O=C([O-])CCc1cccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000263488883 967897483 /nfs/dbraw/zinc/89/74/83/967897483.db2.gz NWMWQLAXTGHBKO-UHFFFAOYSA-N 0 1 397.475 3.223 20 0 GGADMN CC(C)C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000388560061 968155487 /nfs/dbraw/zinc/15/54/87/968155487.db2.gz ZIFODUUCYTYZCE-OALUTQOASA-N 0 1 375.513 3.039 20 0 GGADMN CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000388560063 968155769 /nfs/dbraw/zinc/15/57/69/968155769.db2.gz ZIFODUUCYTYZCE-RTBURBONSA-N 0 1 375.513 3.039 20 0 GGADMN CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000397959679 968262054 /nfs/dbraw/zinc/26/20/54/968262054.db2.gz DFIMMTYEPILLAX-FUHWJXTLSA-N 0 1 375.513 3.087 20 0 GGADMN CC(C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000404430162 968325013 /nfs/dbraw/zinc/32/50/13/968325013.db2.gz ODOVDJMXUIGAAJ-BMFAXAFESA-N 0 1 375.513 3.036 20 0 GGADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000424394220 968360845 /nfs/dbraw/zinc/36/08/45/968360845.db2.gz CRSYBDVKVAIUEU-UHFFFAOYSA-N 0 1 375.513 3.138 20 0 GGADMN CCC[N@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000455647045 968378044 /nfs/dbraw/zinc/37/80/44/968378044.db2.gz UDKFQIYPBMWXMA-ZDUSSCGKSA-N 0 1 389.477 3.124 20 0 GGADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000455647045 968378052 /nfs/dbraw/zinc/37/80/52/968378052.db2.gz UDKFQIYPBMWXMA-ZDUSSCGKSA-N 0 1 389.477 3.124 20 0 GGADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000514309293 968388805 /nfs/dbraw/zinc/38/88/05/968388805.db2.gz PUESOOPDUNVBAW-GJZGRUSLSA-N 0 1 379.526 3.384 20 0 GGADMN 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O=C([O-])CCSCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001606209656 973452664 /nfs/dbraw/zinc/45/26/64/973452664.db2.gz CVBXZCIGMHEPCQ-UHFFFAOYSA-N 0 1 398.528 3.128 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001605428977 973466830 /nfs/dbraw/zinc/46/68/30/973466830.db2.gz BTQTVDFDXSAKLU-SJCJKPOMSA-N 0 1 392.297 3.486 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001605429544 973470984 /nfs/dbraw/zinc/47/09/84/973470984.db2.gz WABZCPMEPZHFNN-GXTWGEPZSA-N 0 1 392.297 3.486 20 0 GGADMN O=C([O-])CN1CCCC[C@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC001606258702 973613341 /nfs/dbraw/zinc/61/33/41/973613341.db2.gz IOOGGCBVVZNWQX-HNNXBMFYSA-N 0 1 393.896 3.019 20 0 GGADMN Cc1sc(C(=O)[O-])cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000404197196 973709006 /nfs/dbraw/zinc/70/90/06/973709006.db2.gz GEIRGONQNXRAOQ-MOPGFXCFSA-N 0 1 386.517 3.230 20 0 GGADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC001603609621 973876503 /nfs/dbraw/zinc/87/65/03/973876503.db2.gz KXYQTNCRBLCZSW-QHCPKHFHSA-N 0 1 395.503 3.360 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001606434974 973884713 /nfs/dbraw/zinc/88/47/13/973884713.db2.gz KRRZMFQHJNHBHC-CEXWTWQISA-N 0 1 393.405 3.409 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC001606435030 973887068 /nfs/dbraw/zinc/88/70/68/973887068.db2.gz YAXSPCXOSQEEOT-BTELXILVSA-N 0 1 376.305 3.144 20 0 GGADMN O=C([O-])c1cc(NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)[nH]n1 ZINC001606465462 973928320 /nfs/dbraw/zinc/92/83/20/973928320.db2.gz UYQCKJMFJPKDRB-KRWDZBQOSA-N 0 1 396.422 3.087 20 0 GGADMN COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCC2(C(=O)[O-])CCC2)c1 ZINC001604756587 973969221 /nfs/dbraw/zinc/96/92/21/973969221.db2.gz YFLZWAUGRXVTIB-HNNXBMFYSA-N 0 1 386.286 3.068 20 0 GGADMN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2CCCC(=O)[O-])cc1 ZINC001604775352 974007253 /nfs/dbraw/zinc/00/72/53/974007253.db2.gz YHJWBQCXQNAWRH-QGZVFWFLSA-N 0 1 378.469 3.154 20 0 GGADMN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2CCCC(=O)[O-])cc1 ZINC001604775352 974007262 /nfs/dbraw/zinc/00/72/62/974007262.db2.gz YHJWBQCXQNAWRH-QGZVFWFLSA-N 0 1 378.469 3.154 20 0 GGADMN O=C([O-])c1ccccc1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001606521052 974017101 /nfs/dbraw/zinc/01/71/01/974017101.db2.gz FLFLHIBRZVIBBE-HSZRJFAPSA-N 0 1 378.472 3.052 20 0 GGADMN CC(C)(CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424230342 974020158 /nfs/dbraw/zinc/02/01/58/974020158.db2.gz LVDXWQWPTJVYET-GOSISDBHSA-N 0 1 386.414 3.058 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(=O)[O-] ZINC000424420101 974032283 /nfs/dbraw/zinc/03/22/83/974032283.db2.gz YVBIFFUOFBPRRU-HOCLYGCPSA-N 0 1 381.542 3.321 20 0 GGADMN CCC(CC)(CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(=O)[O-] ZINC000424420098 974032435 /nfs/dbraw/zinc/03/24/35/974032435.db2.gz YVBIFFUOFBPRRU-GOEBONIOSA-N 0 1 381.542 3.321 20 0 GGADMN COc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)CC2 ZINC001604843376 974082491 /nfs/dbraw/zinc/08/24/91/974082491.db2.gz VNXPTNWMPMTZGW-SFHVURJKSA-N 0 1 384.476 3.190 20 0 GGADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000455637389 974150494 /nfs/dbraw/zinc/15/04/94/974150494.db2.gz YWUWXTZHCSSQFK-INIZCTEOSA-N 0 1 386.414 3.398 20 0 GGADMN CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001603722482 974151030 /nfs/dbraw/zinc/15/10/30/974151030.db2.gz KVZOHTJIJQCFOQ-INIZCTEOSA-N 0 1 378.469 3.097 20 0 GGADMN CC[N@@H+](CCC1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1)CC(C)C ZINC001603736714 974176432 /nfs/dbraw/zinc/17/64/32/974176432.db2.gz NWIOWDRDCFNJFH-UHFFFAOYSA-N 0 1 376.501 3.392 20 0 GGADMN CC[N@@H+](CCOc1c(Br)cccc1Br)[C@H](C)C(=O)[O-] ZINC001603739547 974186772 /nfs/dbraw/zinc/18/67/72/974186772.db2.gz PGLVWURNZAEPLN-SECBINFHSA-N 0 1 395.091 3.385 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2Br)C[C@H]1C ZINC001603760568 974207562 /nfs/dbraw/zinc/20/75/62/974207562.db2.gz ZMWBNVVEOLBZIJ-DGCLKSJQSA-N 0 1 398.301 3.484 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000514732041 974292009 /nfs/dbraw/zinc/29/20/09/974292009.db2.gz ZJUJOZLLKDVCEH-AZUAARDMSA-N 0 1 393.405 3.337 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C)nc2OCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000514798195 974292664 /nfs/dbraw/zinc/29/26/64/974292664.db2.gz GZEBOJHOHWUJPE-QUCCMNQESA-N 0 1 384.476 3.341 20 0 GGADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000516932198 974311727 /nfs/dbraw/zinc/31/17/27/974311727.db2.gz FMKUCCHGLUODGL-SXWKCWPCSA-N 0 1 383.488 3.401 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000517159443 974315528 /nfs/dbraw/zinc/31/55/28/974315528.db2.gz RGYULIXGPJRQRQ-OAHLLOKOSA-N 0 1 382.435 3.318 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000517159443 974315537 /nfs/dbraw/zinc/31/55/37/974315537.db2.gz RGYULIXGPJRQRQ-OAHLLOKOSA-N 0 1 382.435 3.318 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000517159442 974315587 /nfs/dbraw/zinc/31/55/87/974315587.db2.gz RGYULIXGPJRQRQ-HNNXBMFYSA-N 0 1 382.435 3.318 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000517159442 974315595 /nfs/dbraw/zinc/31/55/95/974315595.db2.gz RGYULIXGPJRQRQ-HNNXBMFYSA-N 0 1 382.435 3.318 20 0 GGADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C12CCC2 ZINC001603825689 974320914 /nfs/dbraw/zinc/32/09/14/974320914.db2.gz JPTOQQBMIQBHMT-KBAYOESNSA-N 0 1 376.497 3.360 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000518991666 974326676 /nfs/dbraw/zinc/32/66/76/974326676.db2.gz WASVYHJWHTXONP-QGZVFWFLSA-N 0 1 379.378 3.365 20 0 GGADMN Cc1cc2ncn(C[C@H](O)C[N@@H+](CCCC(=O)[O-])Cc3ccccc3)c2cc1C ZINC000519603281 974330795 /nfs/dbraw/zinc/33/07/95/974330795.db2.gz JMOWUFKJODSFBX-HXUWFJFHSA-N 0 1 395.503 3.381 20 0 GGADMN COC1([C@@H](C(=O)[O-])[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CCC1 ZINC000563278212 974524356 /nfs/dbraw/zinc/52/43/56/974524356.db2.gz SJEZODFIJWCXNQ-GOSISDBHSA-N 0 1 375.444 3.103 20 0 GGADMN Cc1cccc(S(=O)(=O)CCC[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000563282494 974527262 /nfs/dbraw/zinc/52/72/62/974527262.db2.gz HOOLKJQOFLFZHT-GOSISDBHSA-N 0 1 389.517 3.382 20 0 GGADMN Cc1cccc(S(=O)(=O)CCC[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000563282498 974527420 /nfs/dbraw/zinc/52/74/20/974527420.db2.gz HOOLKJQOFLFZHT-SFHVURJKSA-N 0 1 389.517 3.382 20 0 GGADMN C[C@H](c1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1)C(F)(F)F ZINC000563290129 974529807 /nfs/dbraw/zinc/52/98/07/974529807.db2.gz QMZBUJIJLUOAFC-DOMZBBRYSA-N 0 1 382.386 3.479 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000563290105 974530048 /nfs/dbraw/zinc/53/00/48/974530048.db2.gz PVRJAUZYBILKGC-HXUWFJFHSA-N 0 1 382.851 3.149 20 0 GGADMN COc1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1C(=O)[O-] ZINC000565034493 974563542 /nfs/dbraw/zinc/56/35/42/974563542.db2.gz HGKVZHLFXQLWCY-JOCHJYFZSA-N 0 1 381.476 3.281 20 0 GGADMN COc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1C(=O)[O-] ZINC000565034494 974563570 /nfs/dbraw/zinc/56/35/70/974563570.db2.gz HGKVZHLFXQLWCY-QFIPXVFZSA-N 0 1 381.476 3.281 20 0 GGADMN O=C([O-])C[N@@H+](CCCCOc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000565047099 974566279 /nfs/dbraw/zinc/56/62/79/974566279.db2.gz NMSUDKFDXHWWIK-UHFFFAOYSA-N 0 1 375.387 3.430 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC000565111991 974574844 /nfs/dbraw/zinc/57/48/44/974574844.db2.gz OUJDSQSTOLTWQN-OZROYSPXSA-N 0 1 383.488 3.257 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)nn1 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FVMAOICAHKFSGT-CQSZACIVSA-N 0 1 378.860 3.254 20 0 GGADMN CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1Cl ZINC000566366570 974611526 /nfs/dbraw/zinc/61/15/26/974611526.db2.gz FVMAOICAHKFSGT-CQSZACIVSA-N 0 1 378.860 3.254 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](C[C@H](O)C1CCCCC1)CC2 ZINC000567595487 974637696 /nfs/dbraw/zinc/63/76/96/974637696.db2.gz JPVLGGSACGVOST-MSOLQXFVSA-N 0 1 377.481 3.019 20 0 GGADMN O=C([O-])C[N@H+](CCc1ccccc1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000568068451 974660477 /nfs/dbraw/zinc/66/04/77/974660477.db2.gz JSOODNGSHHBDJV-QGZVFWFLSA-N 0 1 381.394 3.238 20 0 GGADMN O=C([O-])C[N@H+](CCc1ccccc1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000568068447 974660587 /nfs/dbraw/zinc/66/05/87/974660587.db2.gz JSOODNGSHHBDJV-KRWDZBQOSA-N 0 1 381.394 3.238 20 0 GGADMN COc1cc(-c2noc(C[N@H+]3CC[C@@](C(=O)[O-])(c4ccccc4)C3)n2)ccc1C ZINC000568073873 974660704 /nfs/dbraw/zinc/66/07/04/974660704.db2.gz PAZBJDVHABZKJT-QFIPXVFZSA-N 0 1 393.443 3.282 20 0 GGADMN 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ZINC000652386830 975519101 /nfs/dbraw/zinc/51/91/01/975519101.db2.gz LLVQQPKVFVLEGU-DLBZAZTESA-N 0 1 396.443 3.145 20 0 GGADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000652386833 975519215 /nfs/dbraw/zinc/51/92/15/975519215.db2.gz LLVQQPKVFVLEGU-SJORKVTESA-N 0 1 396.443 3.145 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CCCCn1ccnc1C)CC2 ZINC000652452761 975538430 /nfs/dbraw/zinc/53/84/30/975538430.db2.gz OSPRMXRDKXRTQM-SFHVURJKSA-N 0 1 387.480 3.063 20 0 GGADMN COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cs2)c(OC)c1 ZINC000652497369 975560231 /nfs/dbraw/zinc/56/02/31/975560231.db2.gz TXKPUUGVYQPDDQ-SWLSCSKDSA-N 0 1 376.478 3.370 20 0 GGADMN C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(OC)c1 ZINC000652500235 975564118 /nfs/dbraw/zinc/56/41/18/975564118.db2.gz HMEBRBKIBVVDBU-AAXUHFPESA-N 0 1 391.508 3.291 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000653298720 975579525 /nfs/dbraw/zinc/57/95/25/975579525.db2.gz DPUKPKVMSPNTAN-LZLYRXPVSA-N 0 1 378.900 3.312 20 0 GGADMN O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000653298720 975579537 /nfs/dbraw/zinc/57/95/37/975579537.db2.gz DPUKPKVMSPNTAN-LZLYRXPVSA-N 0 1 378.900 3.312 20 0 GGADMN C[C@](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000653323749 975587962 /nfs/dbraw/zinc/58/79/62/975587962.db2.gz ZLZQGWZMROCGDC-NFBKMPQASA-N 0 1 380.488 3.200 20 0 GGADMN C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656246408 975656390 /nfs/dbraw/zinc/65/63/90/975656390.db2.gz KXOUDWYPBNOHSF-YESZJQIVSA-N 0 1 396.487 3.279 20 0 GGADMN C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656246408 975656396 /nfs/dbraw/zinc/65/63/96/975656396.db2.gz KXOUDWYPBNOHSF-YESZJQIVSA-N 0 1 396.487 3.279 20 0 GGADMN Cc1cc([C@@H](C)[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000656762237 975688543 /nfs/dbraw/zinc/68/85/43/975688543.db2.gz BAPFYQVGYKTGAD-ZBFHGGJFSA-N 0 1 392.477 3.254 20 0 GGADMN Cc1cc([C@@H](C)[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000656762237 975688552 /nfs/dbraw/zinc/68/85/52/975688552.db2.gz BAPFYQVGYKTGAD-ZBFHGGJFSA-N 0 1 392.477 3.254 20 0 GGADMN Cc1cc([C@@H](C)[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000656762232 975688836 /nfs/dbraw/zinc/68/88/36/975688836.db2.gz BAPFYQVGYKTGAD-GDBMZVCRSA-N 0 1 392.477 3.254 20 0 GGADMN Cc1cc([C@@H](C)[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)oc1C(=O)[O-] ZINC000656762232 975688843 /nfs/dbraw/zinc/68/88/43/975688843.db2.gz BAPFYQVGYKTGAD-GDBMZVCRSA-N 0 1 392.477 3.254 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000656763169 975691187 /nfs/dbraw/zinc/69/11/87/975691187.db2.gz DXRIVJUJPIKZFS-SLFFLAALSA-N 0 1 383.492 3.464 20 0 GGADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656764346 975694419 /nfs/dbraw/zinc/69/44/19/975694419.db2.gz XMAMUGZXMGXQIU-HKUYNNGSSA-N 0 1 388.489 3.027 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H]2CCCC[C@H]12 ZINC000656768626 975703227 /nfs/dbraw/zinc/70/32/27/975703227.db2.gz VZSWYVXKTKTXSJ-YPAWHYETSA-N 0 1 385.552 3.164 20 0 GGADMN CC(C)OCc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001591731330 975709623 /nfs/dbraw/zinc/70/96/23/975709623.db2.gz UWCCNAKGPGQTBQ-UHFFFAOYSA-N 0 1 384.476 3.058 20 0 GGADMN CC(C)OCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001591731330 975709632 /nfs/dbraw/zinc/70/96/32/975709632.db2.gz UWCCNAKGPGQTBQ-UHFFFAOYSA-N 0 1 384.476 3.058 20 0 GGADMN CC(C)Oc1c(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1C(=O)[O-] ZINC001591745146 975775913 /nfs/dbraw/zinc/77/59/13/975775913.db2.gz YEQFKXWNJLQXHM-WBVHZDCISA-N 0 1 375.469 3.310 20 0 GGADMN CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659753462 975862611 /nfs/dbraw/zinc/86/26/11/975862611.db2.gz LQHSVNSJXXGNSM-XLIONFOSSA-N 0 1 396.487 3.448 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659755593 975865311 /nfs/dbraw/zinc/86/53/11/975865311.db2.gz YQBDTIZQRUNHEY-QGZVFWFLSA-N 0 1 396.487 3.312 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000659756369 975865714 /nfs/dbraw/zinc/86/57/14/975865714.db2.gz DZBWCVYKCLXYTG-FXAWDEMLSA-N 0 1 396.487 3.275 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001591767181 975877977 /nfs/dbraw/zinc/87/79/77/975877977.db2.gz JDQVXPXJAGHHCX-INIZCTEOSA-N 0 1 375.469 3.310 20 0 GGADMN O=C([O-])c1cn(C2CC[NH+](Cc3cc(Cl)ccc3OC(F)F)CC2)nn1 ZINC000659794204 975883192 /nfs/dbraw/zinc/88/31/92/975883192.db2.gz BQJWRWJBRQYWGN-UHFFFAOYSA-N 0 1 386.786 3.068 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001591769607 975893570 /nfs/dbraw/zinc/89/35/70/975893570.db2.gz QWZBYHNIQQQUGN-UHFFFAOYSA-N 0 1 397.475 3.352 20 0 GGADMN C[C@@]1(Cc2cccc3ccccc32)CCC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000659804083 975895060 /nfs/dbraw/zinc/89/50/60/975895060.db2.gz SMLHMNMKZTZYFV-QFIPXVFZSA-N 0 1 378.476 3.156 20 0 GGADMN C[C@]1(Cc2cccc3ccccc32)CCC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000659804082 975895295 /nfs/dbraw/zinc/89/52/95/975895295.db2.gz SMLHMNMKZTZYFV-JOCHJYFZSA-N 0 1 378.476 3.156 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662223017 975903950 /nfs/dbraw/zinc/90/39/50/975903950.db2.gz LKUCYKVGZADOIB-SUMWQHHRSA-N 0 1 388.414 3.168 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662223017 975903960 /nfs/dbraw/zinc/90/39/60/975903960.db2.gz LKUCYKVGZADOIB-SUMWQHHRSA-N 0 1 388.414 3.168 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)Cc2ccccc21 ZINC000662223458 975906616 /nfs/dbraw/zinc/90/66/16/975906616.db2.gz NJFOBMGCPFRZJJ-OAQYLSRUSA-N 0 1 378.472 3.497 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)Cc2ccccc21 ZINC000662224812 975908411 /nfs/dbraw/zinc/90/84/11/975908411.db2.gz VUESKSLOEWAZIX-OAQYLSRUSA-N 0 1 392.499 3.299 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)Cc2ccccc21 ZINC000662224812 975908422 /nfs/dbraw/zinc/90/84/22/975908422.db2.gz VUESKSLOEWAZIX-OAQYLSRUSA-N 0 1 392.499 3.299 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000663261300 975938463 /nfs/dbraw/zinc/93/84/63/975938463.db2.gz IVXREUXDUOKVQZ-GFCCVEGCSA-N 0 1 381.276 3.380 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000666538860 975967209 /nfs/dbraw/zinc/96/72/09/975967209.db2.gz VANAZCFPMBYKBA-MSOLQXFVSA-N 0 1 387.867 3.283 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000666538860 975967220 /nfs/dbraw/zinc/96/72/20/975967220.db2.gz VANAZCFPMBYKBA-MSOLQXFVSA-N 0 1 387.867 3.283 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000666539895 975967739 /nfs/dbraw/zinc/96/77/39/975967739.db2.gz AMHSBKDBKIHJDI-SSXNTNPLSA-N 0 1 399.535 3.230 20 0 GGADMN CC(C)Oc1cccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001591792327 975998324 /nfs/dbraw/zinc/99/83/24/975998324.db2.gz XZOKNWSDDKXMOG-GOSISDBHSA-N 0 1 392.496 3.370 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC001591797057 976011765 /nfs/dbraw/zinc/01/17/65/976011765.db2.gz VOZMRQFNJORDMS-SLFFLAALSA-N 0 1 388.508 3.055 20 0 GGADMN CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001591797053 976011939 /nfs/dbraw/zinc/01/19/39/976011939.db2.gz VOZMRQFNJORDMS-AABGKKOBSA-N 0 1 388.508 3.055 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001591828488 976086910 /nfs/dbraw/zinc/08/69/10/976086910.db2.gz QUKYIHJNWCAMET-GFCCVEGCSA-N 0 1 385.917 3.321 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001591868576 976191979 /nfs/dbraw/zinc/19/19/79/976191979.db2.gz WPCKIKOGDWZYLH-PBHICJAKSA-N 0 1 386.414 3.110 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001591868576 976191985 /nfs/dbraw/zinc/19/19/85/976191985.db2.gz WPCKIKOGDWZYLH-PBHICJAKSA-N 0 1 386.414 3.110 20 0 GGADMN CC(C)[C@H](NC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC001591871462 976210386 /nfs/dbraw/zinc/21/03/86/976210386.db2.gz DHEVRYGVNIVZBK-FQEVSTJZSA-N 0 1 375.513 3.088 20 0 GGADMN CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591910288 976315479 /nfs/dbraw/zinc/31/54/79/976315479.db2.gz BAKBTINETJSUCE-ZMOVQZPESA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591910288 976315490 /nfs/dbraw/zinc/31/54/90/976315490.db2.gz BAKBTINETJSUCE-ZMOVQZPESA-N 0 1 382.460 3.360 20 0 GGADMN CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591910553 976322784 /nfs/dbraw/zinc/32/27/84/976322784.db2.gz ILOGXRZAGFIVQT-GOSISDBHSA-N 0 1 382.464 3.154 20 0 GGADMN CC(C)c1ccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591949522 976507451 /nfs/dbraw/zinc/50/74/51/976507451.db2.gz WEQUHTVSLMMRMJ-MOPGFXCFSA-N 0 1 375.513 3.165 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001591987801 976612095 /nfs/dbraw/zinc/61/20/95/976612095.db2.gz PXCHIZDKNFVUGJ-KSFYIVLOSA-N 0 1 388.508 3.295 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001592039013 976759507 /nfs/dbraw/zinc/75/95/07/976759507.db2.gz GHZJVQNQICUHTI-KUDFPVQQSA-N 0 1 382.464 3.430 20 0 GGADMN CC(C)c1[nH+]ccn1CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001592040038 976765883 /nfs/dbraw/zinc/76/58/83/976765883.db2.gz WSAQJPOJDLFQNC-UHFFFAOYSA-N 0 1 384.461 3.391 20 0 GGADMN CC(C)c1ncsc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001592042468 976768908 /nfs/dbraw/zinc/76/89/08/976768908.db2.gz LAQYEQRLSVZEKJ-FQEVSTJZSA-N 0 1 387.505 3.116 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001592148086 977007264 /nfs/dbraw/zinc/00/72/64/977007264.db2.gz AYTQINCMYHQGLR-HKMNZKMDSA-N 0 1 384.480 3.215 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001592148266 977009204 /nfs/dbraw/zinc/00/92/04/977009204.db2.gz HQBKPQDNMOHOAD-INIZCTEOSA-N 0 1 379.464 3.485 20 0 GGADMN CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001592148888 977014468 /nfs/dbraw/zinc/01/44/68/977014468.db2.gz XSQVHGDBZYKVOY-OAHLLOKOSA-N 0 1 392.887 3.469 20 0 GGADMN CC(C)n1ncc2cc(C[N@@H+]3C[C@@H](c4ccc(O)cc4)[C@H](C(=O)[O-])C3)cnc21 ZINC001592163306 977052493 /nfs/dbraw/zinc/05/24/93/977052493.db2.gz WOZPKXVZBGEGCZ-RBUKOAKNSA-N 0 1 380.448 3.018 20 0 GGADMN CC(C)n1ncnc1C[NH2+][C@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001592169366 977066639 /nfs/dbraw/zinc/06/66/39/977066639.db2.gz LNFLJDABWRIJBV-MRXNPFEDSA-N 0 1 381.274 3.101 20 0 GGADMN C[C@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1ccncc1 ZINC001592330817 977770150 /nfs/dbraw/zinc/77/01/50/977770150.db2.gz YWJOBBFFPGJVAM-QGZVFWFLSA-N 0 1 389.253 3.200 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001592351608 977828976 /nfs/dbraw/zinc/82/89/76/977828976.db2.gz QMMAFUVBTUWTBG-RISCZKNCSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001592351608 977828981 /nfs/dbraw/zinc/82/89/81/977828981.db2.gz QMMAFUVBTUWTBG-RISCZKNCSA-N 0 1 394.821 3.492 20 0 GGADMN C[C@H](CC(=O)[O-])CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001592385038 977924361 /nfs/dbraw/zinc/92/43/61/977924361.db2.gz AEBNXULJSGQLCX-ZDUSSCGKSA-N 0 1 386.414 3.287 20 0 GGADMN CC(C)(CNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)CC(=O)[O-] ZINC000720856204 978068896 /nfs/dbraw/zinc/06/88/96/978068896.db2.gz OHXASYTYXAXVJY-GOSISDBHSA-N 0 1 375.513 3.231 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720895743 978078234 /nfs/dbraw/zinc/07/82/34/978078234.db2.gz CCURJMHYBSNPFD-GVDBMIGSSA-N 0 1 375.513 3.180 20 0 GGADMN C[C@@H]1CN(C(=O)NCC(C)(C)CC(=O)[O-])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000720895741 978078646 /nfs/dbraw/zinc/07/86/46/978078646.db2.gz CCURJMHYBSNPFD-BRWVUGGUSA-N 0 1 375.513 3.180 20 0 GGADMN C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001592445874 978118357 /nfs/dbraw/zinc/11/83/57/978118357.db2.gz QQHYGLYZSPVXBB-DOTOQJQBSA-N 0 1 375.513 3.075 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ncc(Br)cc2Br)C[C@H]1CC(=O)[O-] ZINC000722642596 978157172 /nfs/dbraw/zinc/15/71/72/978157172.db2.gz DGLSHSQKEMITCA-RKDXNWHRSA-N 0 1 392.091 3.149 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ncc(Br)cc2Br)C[C@H]1CC(=O)[O-] ZINC000722642596 978157177 /nfs/dbraw/zinc/15/71/77/978157177.db2.gz DGLSHSQKEMITCA-RKDXNWHRSA-N 0 1 392.091 3.149 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736271829 978315823 /nfs/dbraw/zinc/31/58/23/978315823.db2.gz AFHGTNBAMNNHPN-OAHLLOKOSA-N 0 1 398.450 3.499 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC001592583131 978495592 /nfs/dbraw/zinc/49/55/92/978495592.db2.gz LPYOAZYTPNIECI-GXTWGEPZSA-N 0 1 391.518 3.140 20 0 GGADMN C[C@@H](C[N@@H+](C)CCOc1ccc(C(=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC001592584451 978502642 /nfs/dbraw/zinc/50/26/42/978502642.db2.gz AYBYGZNMZQRHAF-LBPRGKRZSA-N 0 1 386.876 3.262 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1)C(=O)[O-] ZINC001592592444 978517195 /nfs/dbraw/zinc/51/71/95/978517195.db2.gz BCGBCPOYCAJCQL-ZBFHGGJFSA-N 0 1 386.414 3.010 20 0 GGADMN C[C@@H](C[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1)C(=O)[O-] ZINC001592592537 978517734 /nfs/dbraw/zinc/51/77/34/978517734.db2.gz FZCIHVUDCMNOGS-KRWDZBQOSA-N 0 1 383.492 3.304 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccc1)C(=O)[O-] ZINC001592592598 978518954 /nfs/dbraw/zinc/51/89/54/978518954.db2.gz JEKXAAUDOZQAED-CQSZACIVSA-N 0 1 383.473 3.458 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccc1)C(=O)[O-] ZINC001592592597 978519049 /nfs/dbraw/zinc/51/90/49/978519049.db2.gz JEKXAAUDOZQAED-AWEZNQCLSA-N 0 1 383.473 3.458 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1)C(=O)[O-] ZINC001592592682 978520189 /nfs/dbraw/zinc/52/01/89/978520189.db2.gz OMQDDQCNXLWNQB-SFHVURJKSA-N 0 1 395.503 3.448 20 0 GGADMN C[C@@H](C[N@@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1)C(=O)[O-] ZINC001592598265 978530182 /nfs/dbraw/zinc/53/01/82/978530182.db2.gz AAGLEQZOBDUAHF-INIZCTEOSA-N 0 1 379.932 3.037 20 0 GGADMN C[C@@H](C[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H](C)CO)c1ccccc1 ZINC001592609613 978555894 /nfs/dbraw/zinc/55/58/94/978555894.db2.gz FGUDVEZWFGJXEJ-GJZGRUSLSA-N 0 1 395.459 3.020 20 0 GGADMN C[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@@H+]1CCc2sccc2C1 ZINC001592640642 978620533 /nfs/dbraw/zinc/62/05/33/978620533.db2.gz LHAXPXNHKAELDD-JAGHRAMZSA-N 0 1 376.522 3.036 20 0 GGADMN C[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@H+]1CCc2sccc2C1 ZINC001592640642 978620534 /nfs/dbraw/zinc/62/05/34/978620534.db2.gz LHAXPXNHKAELDD-JAGHRAMZSA-N 0 1 376.522 3.036 20 0 GGADMN COc1cc(OC)cc([C@@H]([NH2+][C@@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC000832050503 979037787 /nfs/dbraw/zinc/03/77/87/979037787.db2.gz QLAFQJSHNXQBCW-LEWJYISDSA-N 0 1 384.476 3.256 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(CC(=O)[O-])CC3)cs2)cc1 ZINC000832943922 979059080 /nfs/dbraw/zinc/05/90/80/979059080.db2.gz NZQIQPIZJCAZRF-UHFFFAOYSA-N 0 1 387.505 3.319 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001595017536 979080488 /nfs/dbraw/zinc/08/04/88/979080488.db2.gz HNSPBJNUJIGKBT-LZLYRXPVSA-N 0 1 389.544 3.110 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001595017700 979082020 /nfs/dbraw/zinc/08/20/20/979082020.db2.gz KFBJEHSOFQHPIN-BZSNNMDCSA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001595017674 979082088 /nfs/dbraw/zinc/08/20/88/979082088.db2.gz JPSPQQHTFUTIIO-XDNAFOTISA-N 0 1 391.560 3.213 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001595017673 979082542 /nfs/dbraw/zinc/08/25/42/979082542.db2.gz JPSPQQHTFUTIIO-OWSLCNJRSA-N 0 1 391.560 3.213 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001595017831 979084353 /nfs/dbraw/zinc/08/43/53/979084353.db2.gz LYHWDXVQAOJQBI-KSZLIROESA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001595017915 979086488 /nfs/dbraw/zinc/08/64/88/979086488.db2.gz NCYXMGUIZCJAQC-LPHOPBHVSA-N 0 1 399.539 3.203 20 0 GGADMN CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001595018216 979088707 /nfs/dbraw/zinc/08/87/07/979088707.db2.gz PWVXCNFEKNIKRQ-SJORKVTESA-N 0 1 391.560 3.357 20 0 GGADMN CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001595018253 979089294 /nfs/dbraw/zinc/08/92/94/979089294.db2.gz QKRGKBXFXUEWMV-WMZOPIPTSA-N 0 1 391.560 3.357 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(CCC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC001592683556 979112006 /nfs/dbraw/zinc/11/20/06/979112006.db2.gz QLOHIKYYZONJHY-MRXNPFEDSA-N 0 1 381.476 3.272 20 0 GGADMN CC[C@@H](CC(F)(F)F)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001595039869 979218350 /nfs/dbraw/zinc/21/83/50/979218350.db2.gz WMVOOBKIJNFPQE-MAUKXSAKSA-N 0 1 386.414 3.201 20 0 GGADMN COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C)c(OCC(=O)[O-])c(C)c1)CC2 ZINC000833729318 979232957 /nfs/dbraw/zinc/23/29/57/979232957.db2.gz ANMBDJVVBREAEO-UHFFFAOYSA-N 0 1 385.460 3.342 20 0 GGADMN CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001595049369 979271634 /nfs/dbraw/zinc/27/16/34/979271634.db2.gz AZLHEYZECMWJLB-INIZCTEOSA-N 0 1 382.451 3.294 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000841771698 979308110 /nfs/dbraw/zinc/30/81/10/979308110.db2.gz WSJKQEFHFBFWAD-SFHVURJKSA-N 0 1 382.435 3.325 20 0 GGADMN O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000842674124 979324591 /nfs/dbraw/zinc/32/45/91/979324591.db2.gz VZIYSSPUXCYQCS-UXHICEINSA-N 0 1 384.520 3.392 20 0 GGADMN C[C@](CO)([NH2+]Cc1ccc(/C=C/C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001592751551 979326221 /nfs/dbraw/zinc/32/62/21/979326221.db2.gz YSQNZAMTNGSYCL-KBOKABMXSA-N 0 1 380.238 3.137 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cnn(Cc2ccccc2)c1Cl)C1CCOCC1 ZINC000843040075 979331011 /nfs/dbraw/zinc/33/10/11/979331011.db2.gz FBWZIGQNFFXCHC-UHFFFAOYSA-N 0 1 377.872 3.041 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)co2)cc1 ZINC000846243328 979420040 /nfs/dbraw/zinc/42/00/40/979420040.db2.gz HYBCUHJKNKOIPN-IBGZPJMESA-N 0 1 386.448 3.200 20 0 GGADMN C[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000846246431 979423541 /nfs/dbraw/zinc/42/35/41/979423541.db2.gz HUJKRQZNARJANT-OJLWIZQOSA-N 0 1 398.434 3.040 20 0 GGADMN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000846246431 979423546 /nfs/dbraw/zinc/42/35/46/979423546.db2.gz HUJKRQZNARJANT-OJLWIZQOSA-N 0 1 398.434 3.040 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC[C@@H](O)c1ccccc1)CC2 ZINC000846262158 979431974 /nfs/dbraw/zinc/43/19/74/979431974.db2.gz VVRZCPDOYJHNOP-RBUKOAKNSA-N 0 1 385.460 3.201 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)Cc2ccccc21 ZINC000846270394 979435450 /nfs/dbraw/zinc/43/54/50/979435450.db2.gz HUBNXLRZGSHJEK-NVXWUHKLSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)c1ccccc1Br)CC2 ZINC000846273757 979439786 /nfs/dbraw/zinc/43/97/86/979439786.db2.gz IZMFXHBEJJDASZ-KRWDZBQOSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)c1ccccc1Br)CC2 ZINC000846273757 979439791 /nfs/dbraw/zinc/43/97/91/979439791.db2.gz IZMFXHBEJJDASZ-KRWDZBQOSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000846275693 979443324 /nfs/dbraw/zinc/44/33/24/979443324.db2.gz UAFRBHWUTFYJLG-IAGOWNOFSA-N 0 1 376.250 3.167 20 0 GGADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000846280278 979448820 /nfs/dbraw/zinc/44/88/20/979448820.db2.gz KEXTUZATBCVGLG-HKUYNNGSSA-N 0 1 379.378 3.467 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000846280855 979451523 /nfs/dbraw/zinc/45/15/23/979451523.db2.gz RHQGDWPMGZLQOI-JTHBVZDNSA-N 0 1 381.472 3.473 20 0 GGADMN O=C([O-])[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000846280862 979451716 /nfs/dbraw/zinc/45/17/16/979451716.db2.gz RLOHDCMAEZRFGS-PKOBYXMFSA-N 0 1 390.277 3.211 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)c1ccccc1 ZINC000846284952 979455814 /nfs/dbraw/zinc/45/58/14/979455814.db2.gz MNOXVTJJUYCQAD-QGZVFWFLSA-N 0 1 378.266 3.459 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)c1ccccc1 ZINC000846284950 979456125 /nfs/dbraw/zinc/45/61/25/979456125.db2.gz MNOXVTJJUYCQAD-KRWDZBQOSA-N 0 1 378.266 3.459 20 0 GGADMN CCC(CC)C[N@@H+](CC)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001595111809 979460610 /nfs/dbraw/zinc/46/06/10/979460610.db2.gz XLTNNEZLKPURRM-UHFFFAOYSA-N 0 1 384.498 3.238 20 0 GGADMN O=C([O-])c1cccc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC000848638653 979475433 /nfs/dbraw/zinc/47/54/33/979475433.db2.gz AQGKMNAITFFQDU-UHFFFAOYSA-N 0 1 384.398 3.294 20 0 GGADMN O=C([O-])c1cccc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC000848638653 979475440 /nfs/dbraw/zinc/47/54/40/979475440.db2.gz AQGKMNAITFFQDU-UHFFFAOYSA-N 0 1 384.398 3.294 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@@H]2CCCC[C@H]12 ZINC000849345311 979496628 /nfs/dbraw/zinc/49/66/28/979496628.db2.gz ICYHWAVUUVOMHJ-VQHPVUNQSA-N 0 1 382.298 3.448 20 0 GGADMN CC[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)Cc1ccccc1)CC(=O)[O-] ZINC000851706838 979572650 /nfs/dbraw/zinc/57/26/50/979572650.db2.gz JFJYCHHXZDGBDO-LJQANCHMSA-N 0 1 375.490 3.139 20 0 GGADMN CC[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)Cc1ccccc1)CC(=O)[O-] ZINC000851706837 979573072 /nfs/dbraw/zinc/57/30/72/979573072.db2.gz JFJYCHHXZDGBDO-IBGZPJMESA-N 0 1 375.490 3.139 20 0 GGADMN O=C([O-])c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000851707068 979574141 /nfs/dbraw/zinc/57/41/41/979574141.db2.gz REIPDPJFUXPNSC-KRWDZBQOSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C2 ZINC000851707068 979574149 /nfs/dbraw/zinc/57/41/49/979574149.db2.gz REIPDPJFUXPNSC-KRWDZBQOSA-N 0 1 394.240 3.378 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)Cc2ccccc21 ZINC000852735433 979583486 /nfs/dbraw/zinc/58/34/86/979583486.db2.gz MPVYTDDYOFVOIX-HXUWFJFHSA-N 0 1 375.424 3.466 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001592838703 979591401 /nfs/dbraw/zinc/59/14/01/979591401.db2.gz HJYVPEXLBYTNMO-STQMWFEESA-N 0 1 387.307 3.179 20 0 GGADMN CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859814244 979644666 /nfs/dbraw/zinc/64/46/66/979644666.db2.gz JRMHZGVBNGOIPA-GFCCVEGCSA-N 0 1 398.294 3.186 20 0 GGADMN CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000859814244 979644667 /nfs/dbraw/zinc/64/46/67/979644667.db2.gz JRMHZGVBNGOIPA-GFCCVEGCSA-N 0 1 398.294 3.186 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000859815847 979646387 /nfs/dbraw/zinc/64/63/87/979646387.db2.gz XPVAPOOAHHXQBS-DOMZBBRYSA-N 0 1 382.386 3.436 20 0 GGADMN CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)[N@H+]1CCc2ccccc2C1 ZINC001595152567 979647634 /nfs/dbraw/zinc/64/76/34/979647634.db2.gz MGGGNRJEDQHZJB-KRWDZBQOSA-N 0 1 385.439 3.482 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000863536309 979675529 /nfs/dbraw/zinc/67/55/29/979675529.db2.gz HCMZCGUQZBEDTO-IAGOWNOFSA-N 0 1 376.250 3.455 20 0 GGADMN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000863536309 979675534 /nfs/dbraw/zinc/67/55/34/979675534.db2.gz HCMZCGUQZBEDTO-IAGOWNOFSA-N 0 1 376.250 3.455 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592861377 979697737 /nfs/dbraw/zinc/69/77/37/979697737.db2.gz ROJBVNWJZPWMDG-UWJYYQICSA-N 0 1 395.503 3.340 20 0 GGADMN C[C@@H](Cc1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC001592861377 979697741 /nfs/dbraw/zinc/69/77/41/979697741.db2.gz ROJBVNWJZPWMDG-UWJYYQICSA-N 0 1 395.503 3.340 20 0 GGADMN Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(N3CCCCC3)c(C(=O)[O-])c1)CC2 ZINC000864150696 979760456 /nfs/dbraw/zinc/76/04/56/979760456.db2.gz WJYUBXWVKRKTNF-HNNXBMFYSA-N 0 1 382.464 3.081 20 0 GGADMN C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001592891222 979782659 /nfs/dbraw/zinc/78/26/59/979782659.db2.gz OIRBDJUOOHDLFN-GFCCVEGCSA-N 0 1 395.381 3.300 20 0 GGADMN C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001592891222 979782662 /nfs/dbraw/zinc/78/26/62/979782662.db2.gz OIRBDJUOOHDLFN-GFCCVEGCSA-N 0 1 395.381 3.300 20 0 GGADMN C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(OCC(=O)[O-])c2)CC1 ZINC001592892097 979789158 /nfs/dbraw/zinc/78/91/58/979789158.db2.gz SIFLRQHRVHNTSZ-SFHVURJKSA-N 0 1 382.504 3.335 20 0 GGADMN C[C@@H](Cc1cccs1)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592900791 979823483 /nfs/dbraw/zinc/82/34/83/979823483.db2.gz ZLRZTFFNUJNZAF-AWEZNQCLSA-N 0 1 394.924 3.426 20 0 GGADMN CC[C@@](COC)([NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595195758 979917434 /nfs/dbraw/zinc/91/74/34/979917434.db2.gz YCNKASALZTWJCX-AVRDEDQJSA-N 0 1 390.524 3.117 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000872162209 980050746 /nfs/dbraw/zinc/05/07/46/980050746.db2.gz MKYCXQPRQYZRAS-FGTMMUONSA-N 0 1 379.884 3.026 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC001592989195 980170911 /nfs/dbraw/zinc/17/09/11/980170911.db2.gz AQERASXNNXMWBN-QMTMVMCOSA-N 0 1 390.549 3.023 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001592989193 980170964 /nfs/dbraw/zinc/17/09/64/980170964.db2.gz AQERASXNNXMWBN-DOXZYTNZSA-N 0 1 390.549 3.023 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900071563 980243863 /nfs/dbraw/zinc/24/38/63/980243863.db2.gz SRIQQNIKVCYSIT-HNNXBMFYSA-N 0 1 385.855 3.354 20 0 GGADMN COc1cccc(-c2csc(C[NH2+][C@@H]3CCCn4nc(C(=O)[O-])cc43)n2)c1 ZINC000900073651 980245916 /nfs/dbraw/zinc/24/59/16/980245916.db2.gz KNLKBSBUHKKUEJ-CQSZACIVSA-N 0 1 384.461 3.338 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Br)cnc1Cl ZINC000900074791 980246661 /nfs/dbraw/zinc/24/66/61/980246661.db2.gz YFLXEBFOQYKGMG-JTQLQIEISA-N 0 1 385.649 3.017 20 0 GGADMN O=C([O-])c1cccc2c(C[NH+]3CCN(C(=O)C4CCCCC4)CC3)ccnc12 ZINC000901427641 980273382 /nfs/dbraw/zinc/27/33/82/980273382.db2.gz COIOUCWTFNTDQL-UHFFFAOYSA-N 0 1 381.476 3.158 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901427763 980273490 /nfs/dbraw/zinc/27/34/90/980273490.db2.gz DQPYTUMKWNTIPJ-CQSZACIVSA-N 0 1 397.313 3.132 20 0 GGADMN Cc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc(C)c1OCC(=O)[O-] ZINC000901429244 980276989 /nfs/dbraw/zinc/27/69/89/980276989.db2.gz IVQVVTXXSXEAPB-IBGZPJMESA-N 0 1 382.460 3.004 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000901431318 980280455 /nfs/dbraw/zinc/28/04/55/980280455.db2.gz SIDPBSSAHXGLNI-SFHVURJKSA-N 0 1 385.464 3.083 20 0 GGADMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000901431803 980281337 /nfs/dbraw/zinc/28/13/37/980281337.db2.gz PZGGWRCIGKFCAY-GOSISDBHSA-N 0 1 388.851 3.041 20 0 GGADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000901431803 980281341 /nfs/dbraw/zinc/28/13/41/980281341.db2.gz PZGGWRCIGKFCAY-GOSISDBHSA-N 0 1 388.851 3.041 20 0 GGADMN CCc1oc(C[N@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)cc1C(=O)[O-] ZINC000901436556 980284972 /nfs/dbraw/zinc/28/49/72/980284972.db2.gz JCQQJSQMMCYXTP-UHFFFAOYSA-N 0 1 389.448 3.167 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001593026140 980287169 /nfs/dbraw/zinc/28/71/69/980287169.db2.gz RFFQWXZASPQOMV-BTYIYWSLSA-N 0 1 386.879 3.246 20 0 GGADMN O=C([O-])c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000901440509 980289186 /nfs/dbraw/zinc/28/91/86/980289186.db2.gz VSZBENHATSLIMG-FQEVSTJZSA-N 0 1 378.472 3.303 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccc2ccccc2c1 ZINC001593026423 980289259 /nfs/dbraw/zinc/28/92/59/980289259.db2.gz VOZUTPKTZIPNME-GBOFZUNWSA-N 0 1 396.487 3.112 20 0 GGADMN C[C@H](NC(=O)C[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])c1ccc(F)cc1 ZINC001593030093 980302524 /nfs/dbraw/zinc/30/25/24/980302524.db2.gz WZHKXOWXOQDEGT-UGSOOPFHSA-N 0 1 384.407 3.035 20 0 GGADMN COc1cc(C[NH+]2CCC(C(=O)[O-])CC2)cc(Br)c1OC(F)F ZINC000901480861 980308923 /nfs/dbraw/zinc/30/89/23/980308923.db2.gz POCDKGDFRSNHOQ-UHFFFAOYSA-N 0 1 394.212 3.356 20 0 GGADMN O=C([O-])CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000901485018 980310069 /nfs/dbraw/zinc/31/00/69/980310069.db2.gz FDOVWHMOENKKRZ-QZTJIDSGSA-N 0 1 386.517 3.335 20 0 GGADMN CCCC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)C(=O)[O-] ZINC000901490160 980313312 /nfs/dbraw/zinc/31/33/12/980313312.db2.gz SFYCFKXPHDINJL-HBMCJLEFSA-N 0 1 395.503 3.057 20 0 GGADMN CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC001595279631 980322060 /nfs/dbraw/zinc/32/20/60/980322060.db2.gz UBMKGBXTDFDGGQ-KPZWWZAWSA-N 0 1 376.403 3.409 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC001595279634 980322209 /nfs/dbraw/zinc/32/22/09/980322209.db2.gz UBMKGBXTDFDGGQ-XIKOKIGWSA-N 0 1 376.403 3.409 20 0 GGADMN Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@](F)(C(=O)[O-])C4)cc3)nc12 ZINC000901517211 980334000 /nfs/dbraw/zinc/33/40/00/980334000.db2.gz XGYISXQORPGDQO-OAQYLSRUSA-N 0 1 383.423 3.220 20 0 GGADMN Cc1cc(C[NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)c(Br)cc1F ZINC000901523765 980344789 /nfs/dbraw/zinc/34/47/89/980344789.db2.gz HBSMAUHYYKSAGV-UHFFFAOYSA-N 0 1 397.248 3.023 20 0 GGADMN Cc1cc(C[N@@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(Br)cc1F ZINC000901526960 980352610 /nfs/dbraw/zinc/35/26/10/980352610.db2.gz OGYYQHBALJQNSS-LBPRGKRZSA-N 0 1 397.248 3.023 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(Br)cc1F ZINC000901526960 980352615 /nfs/dbraw/zinc/35/26/15/980352615.db2.gz OGYYQHBALJQNSS-LBPRGKRZSA-N 0 1 397.248 3.023 20 0 GGADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC000901540851 980368270 /nfs/dbraw/zinc/36/82/70/980368270.db2.gz FELPUGWWJQCXAP-HXUWFJFHSA-N 0 1 377.387 3.219 20 0 GGADMN CC[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1OC(F)F ZINC001595287402 980370134 /nfs/dbraw/zinc/37/01/34/980370134.db2.gz RSFNJISTDYMHCA-LBPRGKRZSA-N 0 1 399.419 3.051 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)ccc2Oc2cncc(Cl)c2)C1 ZINC000901543114 980371912 /nfs/dbraw/zinc/37/19/12/980371912.db2.gz LUHRBSVOWPGVMW-SFHVURJKSA-N 0 1 380.803 3.342 20 0 GGADMN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1cnc(-c3ccncc3)s1)CC2 ZINC000901552768 980378109 /nfs/dbraw/zinc/37/81/09/980378109.db2.gz WAIINSDUMUNZEL-UHFFFAOYSA-N 0 1 381.457 3.470 20 0 GGADMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1cnc(-c3ccncc3)s1)CC2 ZINC000901552768 980378113 /nfs/dbraw/zinc/37/81/13/980378113.db2.gz WAIINSDUMUNZEL-UHFFFAOYSA-N 0 1 381.457 3.470 20 0 GGADMN CC[C@@]([NH2+]Cc1c(Br)cnn1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595298343 980415994 /nfs/dbraw/zinc/41/59/94/980415994.db2.gz HMFROHFDPBUKJO-HNNXBMFYSA-N 0 1 386.677 3.316 20 0 GGADMN CC[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)C1(C(=O)[O-])CCC1 ZINC001595304625 980439737 /nfs/dbraw/zinc/43/97/37/980439737.db2.gz GZRLPUDDBRYPRZ-ZDUSSCGKSA-N 0 1 393.285 3.357 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccc(Br)c2cccnc12)C[C@@H]1CCCO1 ZINC000901680747 980444389 /nfs/dbraw/zinc/44/43/89/980444389.db2.gz FJNZRCHFYFGBEU-AWEZNQCLSA-N 0 1 393.281 3.453 20 0 GGADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000901682025 980446377 /nfs/dbraw/zinc/44/63/77/980446377.db2.gz OGEFERSLJTYSMQ-FQEVSTJZSA-N 0 1 385.508 3.312 20 0 GGADMN CCOCCC[N@H+](Cc1cn2ccc(Br)cc2n1)C[C@@H](C)C(=O)[O-] ZINC000901682751 980447601 /nfs/dbraw/zinc/44/76/01/980447601.db2.gz UBSNCUGADQRNLC-CYBMUJFWSA-N 0 1 398.301 3.046 20 0 GGADMN CC[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccc(OC)c(OC)c1 ZINC001595305833 980451608 /nfs/dbraw/zinc/45/16/08/980451608.db2.gz NGLZQDSZGNBREP-OAHLLOKOSA-N 0 1 397.431 3.292 20 0 GGADMN CC[C@]([NH2+]Cc1cn(Cc2ccccc2)nn1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305884 980452976 /nfs/dbraw/zinc/45/29/76/980452976.db2.gz YALQHQHHLFOUCK-HXUWFJFHSA-N 0 1 384.867 3.460 20 0 GGADMN CN(c1ccccc1CN1CCc2ccc(C(=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC000901744770 980474507 /nfs/dbraw/zinc/47/45/07/980474507.db2.gz JSEBSDHDEYLXAN-UHFFFAOYSA-N 0 1 393.531 3.474 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000901785452 980515424 /nfs/dbraw/zinc/51/54/24/980515424.db2.gz DQWAPMPAVUNSLO-MRXNPFEDSA-N 0 1 392.805 3.016 20 0 GGADMN COc1sc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1Br ZINC000901786303 980516588 /nfs/dbraw/zinc/51/65/88/980516588.db2.gz KIUNTSCXSBOQGH-LLVKDONJSA-N 0 1 388.205 3.358 20 0 GGADMN COc1sc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1Br ZINC000901786303 980516593 /nfs/dbraw/zinc/51/65/93/980516593.db2.gz KIUNTSCXSBOQGH-LLVKDONJSA-N 0 1 388.205 3.358 20 0 GGADMN COc1c(Br)cccc1C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785941 980517106 /nfs/dbraw/zinc/51/71/06/980517106.db2.gz IIXVZPGHQZLPMI-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN COc1c(Br)cccc1C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785941 980517108 /nfs/dbraw/zinc/51/71/08/980517108.db2.gz IIXVZPGHQZLPMI-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2c(F)cncc2Br)C[C@@H]1c1ccccc1 ZINC000901889199 980601953 /nfs/dbraw/zinc/60/19/53/980601953.db2.gz WSBPLKXYIJBUJP-CHWSQXEVSA-N 0 1 379.229 3.283 20 0 GGADMN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000901889571 980602818 /nfs/dbraw/zinc/60/28/18/980602818.db2.gz CFEUFTWDVKBAPW-ZDUSSCGKSA-N 0 1 385.411 3.345 20 0 GGADMN Cc1ccc(OCc2nc(C[N@@H+]3CCSC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000901892145 980606552 /nfs/dbraw/zinc/60/65/52/980606552.db2.gz UYOMPNOFEPECQB-CQSZACIVSA-N 0 1 378.519 3.280 20 0 GGADMN Cc1ccc(OCc2nc(C[N@H+]3CCSC[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000901892145 980606555 /nfs/dbraw/zinc/60/65/55/980606555.db2.gz UYOMPNOFEPECQB-CQSZACIVSA-N 0 1 378.519 3.280 20 0 GGADMN C=Cn1cc(C[N@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)cn1 ZINC000901896359 980608302 /nfs/dbraw/zinc/60/83/02/980608302.db2.gz BDNGZCKBTUZROU-JKSUJKDBSA-N 0 1 376.254 3.046 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3cn(-c4ccc(F)cc4Cl)nn3)C[C@H]1CCCC2 ZINC000901912882 980625178 /nfs/dbraw/zinc/62/51/78/980625178.db2.gz XEHFRMAHNPZHKS-KZULUSFZSA-N 0 1 378.835 3.137 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C[C@@H](C(=O)[O-])O1 ZINC000901929236 980634765 /nfs/dbraw/zinc/63/47/65/980634765.db2.gz AXPFHYJOHUZUDJ-YJYMSZOUSA-N 0 1 377.387 3.218 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C[C@@H](C(=O)[O-])O1 ZINC000901929236 980634769 /nfs/dbraw/zinc/63/47/69/980634769.db2.gz AXPFHYJOHUZUDJ-YJYMSZOUSA-N 0 1 377.387 3.218 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C[C@@H](C(=O)[O-])O1 ZINC000901933376 980638113 /nfs/dbraw/zinc/63/81/13/980638113.db2.gz ATCAVSBGNFNIDB-QRWLVFNGSA-N 0 1 395.434 3.352 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C[C@@H](C(=O)[O-])O1 ZINC000901933376 980638119 /nfs/dbraw/zinc/63/81/19/980638119.db2.gz ATCAVSBGNFNIDB-QRWLVFNGSA-N 0 1 395.434 3.352 20 0 GGADMN O=C([O-])[C@]12C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]1COCC2 ZINC000901951412 980647998 /nfs/dbraw/zinc/64/79/98/980647998.db2.gz FIIUNMOXGNYMMG-MAUKXSAKSA-N 0 1 395.381 3.019 20 0 GGADMN CCOc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])ccc1OCC(F)(F)F ZINC000901984250 980664289 /nfs/dbraw/zinc/66/42/89/980664289.db2.gz ZFOJOXLZHBIFRH-CYBMUJFWSA-N 0 1 393.427 3.419 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000901983904 980664660 /nfs/dbraw/zinc/66/46/60/980664660.db2.gz WMRJIIRUELDROM-ZDUSSCGKSA-N 0 1 396.310 3.231 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000901983904 980664663 /nfs/dbraw/zinc/66/46/63/980664663.db2.gz WMRJIIRUELDROM-ZDUSSCGKSA-N 0 1 396.310 3.231 20 0 GGADMN C[C@@H](C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1)C(=O)[O-] ZINC000901993938 980673830 /nfs/dbraw/zinc/67/38/30/980673830.db2.gz PFGSICROONLHMH-LBPRGKRZSA-N 0 1 378.270 3.320 20 0 GGADMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc3c(c1)ncn3C)CC2 ZINC000902001949 980679718 /nfs/dbraw/zinc/67/97/18/980679718.db2.gz XEHRUUGXBOORBO-IBGZPJMESA-N 0 1 395.459 3.165 20 0 GGADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Br)c2c(c1)OCCCO2 ZINC000902007067 980684799 /nfs/dbraw/zinc/68/47/99/980684799.db2.gz JHBWVUOJZPLQBX-ZENOOKHLSA-N 0 1 396.281 3.296 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000902009233 980688358 /nfs/dbraw/zinc/68/83/58/980688358.db2.gz AZLZTMWKSINDKM-INIZCTEOSA-N 0 1 387.505 3.086 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)[C@@H](C(=O)[O-])C1 ZINC000902029609 980699523 /nfs/dbraw/zinc/69/95/23/980699523.db2.gz MOGILAQYUAWZDF-IUODEOHRSA-N 0 1 379.254 3.061 20 0 GGADMN COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)[O-])ccc1OCc1ccccc1 ZINC000902033911 980705730 /nfs/dbraw/zinc/70/57/30/980705730.db2.gz WTDBAOURPJNVNR-RTBURBONSA-N 0 1 385.460 3.338 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@H](C(=O)[O-])C1 ZINC000902035223 980706359 /nfs/dbraw/zinc/70/63/59/980706359.db2.gz SDVXUJRKBJGVJL-IRXDYDNUSA-N 0 1 397.397 3.014 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000902034593 980706824 /nfs/dbraw/zinc/70/68/24/980706824.db2.gz RAKSBBMCDIBLHN-CMPLNLGQSA-N 0 1 394.212 3.115 20 0 GGADMN Cc1oc(C(=O)[O-])cc1C[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000902069453 980718873 /nfs/dbraw/zinc/71/88/73/980718873.db2.gz LMICEOWLWQHXEP-UHFFFAOYSA-N 0 1 381.226 3.085 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000902070313 980719733 /nfs/dbraw/zinc/71/97/33/980719733.db2.gz NASCZCQGJCJLFR-CYBMUJFWSA-N 0 1 394.493 3.168 20 0 GGADMN CC(C)[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)c1ccc2c(c1)OCCO2 ZINC000902080921 980723456 /nfs/dbraw/zinc/72/34/56/980723456.db2.gz ZEVHFSIXDIRAGX-NRFANRHFSA-N 0 1 376.497 3.074 20 0 GGADMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000902083453 980724166 /nfs/dbraw/zinc/72/41/66/980724166.db2.gz XORFEPQSQQYZTP-QZTJIDSGSA-N 0 1 398.507 3.190 20 0 GGADMN O=C([O-])c1coc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000902111348 980739504 /nfs/dbraw/zinc/73/95/04/980739504.db2.gz KNSOZAQBMCSOTH-INIZCTEOSA-N 0 1 396.365 3.450 20 0 GGADMN Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000902128546 980747973 /nfs/dbraw/zinc/74/79/73/980747973.db2.gz HGXGLXBBQJOARR-UHFFFAOYSA-N 0 1 384.476 3.454 20 0 GGADMN Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000902128546 980747978 /nfs/dbraw/zinc/74/79/78/980747978.db2.gz HGXGLXBBQJOARR-UHFFFAOYSA-N 0 1 384.476 3.454 20 0 GGADMN CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000902130411 980748871 /nfs/dbraw/zinc/74/88/71/980748871.db2.gz FMZRHPJZUTYDAK-MRXNPFEDSA-N 0 1 396.553 3.007 20 0 GGADMN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001595360203 980750006 /nfs/dbraw/zinc/75/00/06/980750006.db2.gz SCEXRANWCAQSKO-IHHMQQGQSA-N 0 1 386.423 3.426 20 0 GGADMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)o1 ZINC000902144375 980756440 /nfs/dbraw/zinc/75/64/40/980756440.db2.gz NKPBRXGBNSIFRM-MRXNPFEDSA-N 0 1 382.460 3.383 20 0 GGADMN CCc1oc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000902201055 980780223 /nfs/dbraw/zinc/78/02/23/980780223.db2.gz IZOYTDWWXGLWTH-CQSZACIVSA-N 0 1 375.400 3.075 20 0 GGADMN CCc1oc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000902201055 980780225 /nfs/dbraw/zinc/78/02/25/980780225.db2.gz IZOYTDWWXGLWTH-CQSZACIVSA-N 0 1 375.400 3.075 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000902219124 980787431 /nfs/dbraw/zinc/78/74/31/980787431.db2.gz LWUVFFITJSVJDW-UHFFFAOYSA-N 0 1 394.313 3.412 20 0 GGADMN CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595364536 980795074 /nfs/dbraw/zinc/79/50/74/980795074.db2.gz XLUXCGMKIZLKEE-VQTJNVASSA-N 0 1 396.487 3.116 20 0 GGADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595364536 980795077 /nfs/dbraw/zinc/79/50/77/980795077.db2.gz XLUXCGMKIZLKEE-VQTJNVASSA-N 0 1 396.487 3.116 20 0 GGADMN CC[C@H](c1ccncc1)[N@@H+](C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001595364643 980795813 /nfs/dbraw/zinc/79/58/13/980795813.db2.gz ZHUFCYMTWVLKFV-XLIONFOSSA-N 0 1 394.475 3.200 20 0 GGADMN CC[C@@H](c1ccncc1)[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001595364639 980796156 /nfs/dbraw/zinc/79/61/56/980796156.db2.gz ZHUFCYMTWVLKFV-FXAWDEMLSA-N 0 1 394.475 3.200 20 0 GGADMN C[C@H](C[NH2+]C1CCN(CC(=O)[O-])CC1)Sc1ccc(Br)cc1 ZINC000902247747 980798011 /nfs/dbraw/zinc/79/80/11/980798011.db2.gz WRESZHOACHNYRJ-GFCCVEGCSA-N 0 1 387.343 3.068 20 0 GGADMN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000902294108 980820719 /nfs/dbraw/zinc/82/07/19/980820719.db2.gz BNHGWPBESZFERP-QGZVFWFLSA-N 0 1 387.455 3.209 20 0 GGADMN CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001595369067 980834340 /nfs/dbraw/zinc/83/43/40/980834340.db2.gz SYHSHNONQWHEDS-NRFANRHFSA-N 0 1 393.528 3.309 20 0 GGADMN O=C([O-])C[NH+]1CCC(NCc2ccc3ccc(Br)cc3c2)CC1 ZINC000902357104 980850433 /nfs/dbraw/zinc/85/04/33/980850433.db2.gz WAZSTNQYFOMGIL-UHFFFAOYSA-N 0 1 377.282 3.241 20 0 GGADMN O=C([O-])CN1CCC([NH2+]Cc2ccc3ccc(Br)cc3c2)CC1 ZINC000902357104 980850437 /nfs/dbraw/zinc/85/04/37/980850437.db2.gz WAZSTNQYFOMGIL-UHFFFAOYSA-N 0 1 377.282 3.241 20 0 GGADMN CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC001595375223 980892812 /nfs/dbraw/zinc/89/28/12/980892812.db2.gz ZELBAWOPCXJKIB-ZDUSSCGKSA-N 0 1 376.453 3.011 20 0 GGADMN CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC001595375222 980893041 /nfs/dbraw/zinc/89/30/41/980893041.db2.gz ZELBAWOPCXJKIB-CYBMUJFWSA-N 0 1 376.453 3.011 20 0 GGADMN COc1cc2c(cc1OC)[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)CCCC2 ZINC000902455435 980894561 /nfs/dbraw/zinc/89/45/61/980894561.db2.gz BJXXHQNLYOMJNJ-LJQANCHMSA-N 0 1 390.524 3.390 20 0 GGADMN COc1cc2c(cc1OC)[C@H](NC1CC[NH+](CCCC(=O)[O-])CC1)CCCC2 ZINC000902455435 980894568 /nfs/dbraw/zinc/89/45/68/980894568.db2.gz BJXXHQNLYOMJNJ-LJQANCHMSA-N 0 1 390.524 3.390 20 0 GGADMN O=C([O-])Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCCCC2)nn1 ZINC000902473910 980902839 /nfs/dbraw/zinc/90/28/39/980902839.db2.gz GDSRKGYIQUXXPH-UHFFFAOYSA-N 0 1 393.285 3.074 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000902512461 980915621 /nfs/dbraw/zinc/91/56/21/980915621.db2.gz NEMWFNMDZPSBRC-SOLBZPMBSA-N 0 1 376.497 3.055 20 0 GGADMN C[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000902521479 980919107 /nfs/dbraw/zinc/91/91/07/980919107.db2.gz PYVMNYFEGYUZLG-HKUYNNGSSA-N 0 1 391.489 3.432 20 0 GGADMN C[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000902521479 980919109 /nfs/dbraw/zinc/91/91/09/980919109.db2.gz PYVMNYFEGYUZLG-HKUYNNGSSA-N 0 1 391.489 3.432 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCCOC(F)(F)F ZINC000903601218 980982799 /nfs/dbraw/zinc/98/27/99/980982799.db2.gz GFSBQQDLVNAIOW-GFCCVEGCSA-N 0 1 382.176 3.187 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCCOC(F)(F)F ZINC000903601218 980982800 /nfs/dbraw/zinc/98/28/00/980982800.db2.gz GFSBQQDLVNAIOW-GFCCVEGCSA-N 0 1 382.176 3.187 20 0 GGADMN O=C([O-])C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903601118 980983083 /nfs/dbraw/zinc/98/30/83/980983083.db2.gz FHRBSRCVDBFOMX-QWHCGFSZSA-N 0 1 396.203 3.446 20 0 GGADMN COc1ccc2c(c1)C[C@@H](C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)O2 ZINC000903602191 980983717 /nfs/dbraw/zinc/98/37/17/980983717.db2.gz PHVPRVKLKGSPGU-INIZCTEOSA-N 0 1 377.387 3.254 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000903603250 980984278 /nfs/dbraw/zinc/98/42/78/980984278.db2.gz MXWMAHDPWDPCFO-BBRMVZONSA-N 0 1 380.282 3.362 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@H](O)c1ccccc1Br)C2 ZINC000903617252 980995494 /nfs/dbraw/zinc/99/54/94/980995494.db2.gz SMDGGJUGBJGNAZ-KRWDZBQOSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000903619157 980997181 /nfs/dbraw/zinc/99/71/81/980997181.db2.gz UBGIFJDVYDBQMI-QGZVFWFLSA-N 0 1 376.250 3.239 20 0 GGADMN O=C([O-])c1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C2 ZINC000903619377 980997202 /nfs/dbraw/zinc/99/72/02/980997202.db2.gz YUFCWUDSAIJWMN-MRXNPFEDSA-N 0 1 395.377 3.202 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903625070 981001012 /nfs/dbraw/zinc/00/10/12/981001012.db2.gz FBYPNAICUWCUGJ-QITLCBANSA-N 0 1 384.398 3.054 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903625069 981001080 /nfs/dbraw/zinc/00/10/80/981001080.db2.gz FBYPNAICUWCUGJ-MRAWALMUSA-N 0 1 384.398 3.054 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000903627222 981003165 /nfs/dbraw/zinc/00/31/65/981003165.db2.gz NESMKYAAPAAYDQ-DZGCQCFKSA-N 0 1 377.334 3.196 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1CC(=O)[O-] ZINC000903631366 981007794 /nfs/dbraw/zinc/00/77/94/981007794.db2.gz RGIWYTVXONAXEO-RKDXNWHRSA-N 0 1 386.271 3.103 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])s3)C2)nc1C ZINC000903693625 981015403 /nfs/dbraw/zinc/01/54/03/981015403.db2.gz INMNOHXFTNCTDC-LLVKDONJSA-N 0 1 380.491 3.377 20 0 GGADMN CC[C@@H]1C[C@@H](C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])CCO1 ZINC001595413824 981017682 /nfs/dbraw/zinc/01/76/82/981017682.db2.gz SKXRPOUGXRAJFF-YXJHDRRASA-N 0 1 377.481 3.283 20 0 GGADMN CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cncc(C(=O)[O-])c1 ZINC000903894087 981024636 /nfs/dbraw/zinc/02/46/36/981024636.db2.gz NZNAQPSKOAYTKW-UHFFFAOYSA-N 0 1 379.254 3.443 20 0 GGADMN Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3Br)C2)n1 ZINC000903914113 981035951 /nfs/dbraw/zinc/03/59/51/981035951.db2.gz DEJAHCNMQIBNEK-CYBMUJFWSA-N 0 1 378.270 3.260 20 0 GGADMN COc1ccc(-c2cnc(C[N@H+]3CC[C@@H](c4ncc(C(=O)[O-])s4)C3)o2)cc1 ZINC000903923693 981039441 /nfs/dbraw/zinc/03/94/41/981039441.db2.gz AELCERWNVSJTJO-CYBMUJFWSA-N 0 1 385.445 3.494 20 0 GGADMN Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC000903923700 981039480 /nfs/dbraw/zinc/03/94/80/981039480.db2.gz AINMDUIOJAIZMV-CQSZACIVSA-N 0 1 384.461 3.113 20 0 GGADMN Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC000903923700 981039483 /nfs/dbraw/zinc/03/94/83/981039483.db2.gz AINMDUIOJAIZMV-CQSZACIVSA-N 0 1 384.461 3.113 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000903924044 981040329 /nfs/dbraw/zinc/04/03/29/981040329.db2.gz HEKXLSNEJKEINM-YPMHNXCESA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)s1 ZINC000903924036 981041005 /nfs/dbraw/zinc/04/10/05/981041005.db2.gz HASUHFAFQLBONJ-ZWNOBZJWSA-N 0 1 386.395 3.383 20 0 GGADMN O=C([O-])c1cnc([C@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)s1 ZINC000903925778 981043321 /nfs/dbraw/zinc/04/33/21/981043321.db2.gz WUEZOIVLHJHEAN-GWCFXTLKSA-N 0 1 397.294 3.127 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3Br)C2)s1 ZINC000903925781 981043564 /nfs/dbraw/zinc/04/35/64/981043564.db2.gz WUEZOIVLHJHEAN-ZWNOBZJWSA-N 0 1 397.294 3.127 20 0 GGADMN O=C([O-])c1cccc2c1OCC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000903928703 981048774 /nfs/dbraw/zinc/04/87/74/981048774.db2.gz YBONEZCYVNPCEX-MRXNPFEDSA-N 0 1 381.350 3.332 20 0 GGADMN CC[C@@H]1CCC[C@H](C[N@H+]2C[C@@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001595431654 981053905 /nfs/dbraw/zinc/05/39/05/981053905.db2.gz BHMDBIHXOMLSLG-IKGGRYGDSA-N 0 1 380.529 3.456 20 0 GGADMN CC[C@@H]1CCC[C@H](C[N@H+]2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001595431655 981053931 /nfs/dbraw/zinc/05/39/31/981053931.db2.gz BHMDBIHXOMLSLG-IXDOHACOSA-N 0 1 380.529 3.456 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)[C@H]([C@H]2CCCO2)C1 ZINC000903941532 981062769 /nfs/dbraw/zinc/06/27/69/981062769.db2.gz PWIDQFWKPZHBKO-UKPHBRMFSA-N 0 1 387.398 3.428 20 0 GGADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942170 981064349 /nfs/dbraw/zinc/06/43/49/981064349.db2.gz AXPRDIZRGSLDEW-SIXLDLHFSA-N 0 1 387.398 3.083 20 0 GGADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942746 981066704 /nfs/dbraw/zinc/06/67/04/981066704.db2.gz YFYRCFIZYKETNB-XYPHTWIQSA-N 0 1 387.398 3.428 20 0 GGADMN Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C[C@@H]3[C@H]3CCCO3)cc2)n1 ZINC000903943209 981067246 /nfs/dbraw/zinc/06/72/46/981067246.db2.gz GROBXAFMQWDKEV-CEWLAPEOSA-N 0 1 383.492 3.333 20 0 GGADMN Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C[C@@H]3[C@@H]3CCCO3)cc2)n1 ZINC000903943212 981067671 /nfs/dbraw/zinc/06/76/71/981067671.db2.gz GROBXAFMQWDKEV-TYPHKJRUSA-N 0 1 383.492 3.333 20 0 GGADMN O=C([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000903944920 981070321 /nfs/dbraw/zinc/07/03/21/981070321.db2.gz PWDNEFKVXAFABP-CYBMUJFWSA-N 0 1 381.354 3.062 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)ccc1OC(F)F ZINC000903945031 981071221 /nfs/dbraw/zinc/07/12/21/981071221.db2.gz UOEMZOFCBIWSCS-RRFJBIMHSA-N 0 1 385.407 3.141 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC000903956942 981073116 /nfs/dbraw/zinc/07/31/16/981073116.db2.gz KUTLXARTCQQICN-INIZCTEOSA-N 0 1 381.350 3.332 20 0 GGADMN O=C([O-])c1ccc2c(c1)OCC[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC000903956942 981073123 /nfs/dbraw/zinc/07/31/23/981073123.db2.gz KUTLXARTCQQICN-INIZCTEOSA-N 0 1 381.350 3.332 20 0 GGADMN O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)C1 ZINC000905129123 981090251 /nfs/dbraw/zinc/09/02/51/981090251.db2.gz RBCYTKFSZPHKCM-YYIAUSFCSA-N 0 1 398.425 3.057 20 0 GGADMN O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)C1 ZINC000905129123 981090258 /nfs/dbraw/zinc/09/02/58/981090258.db2.gz RBCYTKFSZPHKCM-YYIAUSFCSA-N 0 1 398.425 3.057 20 0 GGADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445264 981091734 /nfs/dbraw/zinc/09/17/34/981091734.db2.gz XVMKKAGAVMGZHF-SUMWQHHRSA-N 0 1 376.453 3.011 20 0 GGADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595445259 981092251 /nfs/dbraw/zinc/09/22/51/981092251.db2.gz XVMKKAGAVMGZHF-DYVFJYSZSA-N 0 1 376.453 3.011 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CCCc2nc(-c3ccccc3)no2)c1 ZINC000905370995 981093595 /nfs/dbraw/zinc/09/35/95/981093595.db2.gz MIWWXIISMFKAIF-LJQANCHMSA-N 0 1 381.432 3.436 20 0 GGADMN C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905370539 981093661 /nfs/dbraw/zinc/09/36/61/981093661.db2.gz UUNJQGWFNMHKOT-LJQANCHMSA-N 0 1 379.464 3.268 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001595448089 981097061 /nfs/dbraw/zinc/09/70/61/981097061.db2.gz MDKHFQHKFLMNRX-ZHALLVOQSA-N 0 1 387.524 3.075 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001595448089 981097068 /nfs/dbraw/zinc/09/70/68/981097068.db2.gz MDKHFQHKFLMNRX-ZHALLVOQSA-N 0 1 387.524 3.075 20 0 GGADMN COCCSCCC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377371 981100012 /nfs/dbraw/zinc/10/00/12/981100012.db2.gz RXKKYBIXROZPGG-AWEZNQCLSA-N 0 1 376.316 3.276 20 0 GGADMN Cc1nccn1CCCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377588 981100093 /nfs/dbraw/zinc/10/00/93/981100093.db2.gz WSSZQZVEWUZKMC-MRXNPFEDSA-N 0 1 380.286 3.492 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001595450934 981104456 /nfs/dbraw/zinc/10/44/56/981104456.db2.gz DSILFEYPUNVHSL-GFCCVEGCSA-N 0 1 382.482 3.134 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001595451022 981105001 /nfs/dbraw/zinc/10/50/01/981105001.db2.gz HACSESIQIGODRB-CYBMUJFWSA-N 0 1 396.534 3.142 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001595451023 981105024 /nfs/dbraw/zinc/10/50/24/981105024.db2.gz HACSESIQIGODRB-ZDUSSCGKSA-N 0 1 396.534 3.142 20 0 GGADMN Cc1cc([C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(=O)[O-])ccc1F ZINC000905388560 981107393 /nfs/dbraw/zinc/10/73/93/981107393.db2.gz ZFVQWEQXEAVWBL-CTNGQTDRSA-N 0 1 386.467 3.141 20 0 GGADMN Cc1cc([C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(=O)[O-])ccc1F ZINC000905388560 981107396 /nfs/dbraw/zinc/10/73/96/981107396.db2.gz ZFVQWEQXEAVWBL-CTNGQTDRSA-N 0 1 386.467 3.141 20 0 GGADMN C[N@@H+](Cc1ccccc1)C1(CNCc2ccc(/C=C\C(=O)[O-])o2)CCOCC1 ZINC000905727866 981126519 /nfs/dbraw/zinc/12/65/19/981126519.db2.gz ABRIXACFIDRALK-KTKRTIGZSA-N 0 1 384.476 3.148 20 0 GGADMN CN(Cc1ccccc1)C1(C[NH2+]Cc2ccc(/C=C\C(=O)[O-])o2)CCOCC1 ZINC000905727866 981126522 /nfs/dbraw/zinc/12/65/22/981126522.db2.gz ABRIXACFIDRALK-KTKRTIGZSA-N 0 1 384.476 3.148 20 0 GGADMN O=C([O-])c1cnc([C@@H]2CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)s1 ZINC000905739116 981132499 /nfs/dbraw/zinc/13/24/99/981132499.db2.gz LRKKJRFPSNFVCQ-OAHLLOKOSA-N 0 1 386.452 3.215 20 0 GGADMN CCOCc1cc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1OC ZINC000905749729 981136804 /nfs/dbraw/zinc/13/68/04/981136804.db2.gz NMLFWVYBPKMFGD-CQSZACIVSA-N 0 1 376.478 3.376 20 0 GGADMN C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCO1 ZINC000905749971 981137822 /nfs/dbraw/zinc/13/78/22/981137822.db2.gz PNFNAJDNISFQQH-GDBMZVCRSA-N 0 1 387.505 3.056 20 0 GGADMN Cc1ccnc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1Br ZINC000905750641 981138940 /nfs/dbraw/zinc/13/89/40/981138940.db2.gz MVKXEEXZSQRNGD-SNVBAGLBSA-N 0 1 382.283 3.297 20 0 GGADMN Cc1ccnc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1Br ZINC000905750639 981139090 /nfs/dbraw/zinc/13/90/90/981139090.db2.gz MVKXEEXZSQRNGD-JTQLQIEISA-N 0 1 382.283 3.297 20 0 GGADMN C[C@@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000905752957 981140961 /nfs/dbraw/zinc/14/09/61/981140961.db2.gz XVFULLOATGJNPE-APWZRJJASA-N 0 1 378.476 3.443 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1)C(=O)[O-] ZINC000905775260 981149605 /nfs/dbraw/zinc/14/96/05/981149605.db2.gz LNJSCGPPKMDOQH-JSGCOSHPSA-N 0 1 395.381 3.337 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796796 981154885 /nfs/dbraw/zinc/15/48/85/981154885.db2.gz IMSKXXNSCHXPOY-MSOLQXFVSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000905796796 981154886 /nfs/dbraw/zinc/15/48/86/981154886.db2.gz IMSKXXNSCHXPOY-MSOLQXFVSA-N 0 1 380.492 3.203 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000905799178 981156601 /nfs/dbraw/zinc/15/66/01/981156601.db2.gz QVFKUXOSKMHCLZ-KPFFTGBYSA-N 0 1 380.492 3.374 20 0 GGADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000905799178 981156602 /nfs/dbraw/zinc/15/66/02/981156602.db2.gz QVFKUXOSKMHCLZ-KPFFTGBYSA-N 0 1 380.492 3.374 20 0 GGADMN O=C([O-])c1cc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)ncn1 ZINC000906141425 981167232 /nfs/dbraw/zinc/16/72/32/981167232.db2.gz XXYAVXULGMQVBF-UHFFFAOYSA-N 0 1 398.463 3.365 20 0 GGADMN CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1c1cc(C(=O)[O-])ncn1 ZINC000906146069 981167910 /nfs/dbraw/zinc/16/79/10/981167910.db2.gz ZHPYMMNCLFKQCY-IBGZPJMESA-N 0 1 382.508 3.344 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000906861497 981173205 /nfs/dbraw/zinc/17/32/05/981173205.db2.gz MKBDHVZTZFNSOR-SFHVURJKSA-N 0 1 394.537 3.016 20 0 GGADMN CN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000907542845 981186086 /nfs/dbraw/zinc/18/60/86/981186086.db2.gz ACOLIZJLZJHENT-RBUKOAKNSA-N 0 1 386.879 3.099 20 0 GGADMN CC(C)(CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000907557238 981188042 /nfs/dbraw/zinc/18/80/42/981188042.db2.gz CLKUZGSWTBJQQI-GBXCKJPGSA-N 0 1 392.499 3.198 20 0 GGADMN CC(C)(CNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000907557241 981188930 /nfs/dbraw/zinc/18/89/30/981188930.db2.gz CLKUZGSWTBJQQI-YKSBVNFPSA-N 0 1 392.499 3.198 20 0 GGADMN Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000907616576 981201342 /nfs/dbraw/zinc/20/13/42/981201342.db2.gz JEGHUPSVHXZXOL-FDFHNCONSA-N 0 1 392.499 3.144 20 0 GGADMN Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000907651142 981204638 /nfs/dbraw/zinc/20/46/38/981204638.db2.gz FQFWOMIJMXQZGG-LEWJYISDSA-N 0 1 392.499 3.192 20 0 GGADMN Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N2CC(C)(C(=O)[O-])C2)c1 ZINC000907720092 981211060 /nfs/dbraw/zinc/21/10/60/981211060.db2.gz WXONGFOBZAIWCU-LEWJYISDSA-N 0 1 392.499 3.144 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(OC)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001595483395 981212303 /nfs/dbraw/zinc/21/23/03/981212303.db2.gz KUWRQOXPDCHSNC-ZTFGCOKTSA-N 0 1 392.496 3.446 20 0 GGADMN CC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(OC)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001595483394 981212392 /nfs/dbraw/zinc/21/23/92/981212392.db2.gz KUWRQOXPDCHSNC-OLMNPRSZSA-N 0 1 392.496 3.446 20 0 GGADMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595483751 981213950 /nfs/dbraw/zinc/21/39/50/981213950.db2.gz QKYBCMYBQQTZAU-LBPRGKRZSA-N 0 1 384.274 3.095 20 0 GGADMN CC[C@H]1C[N@@H+](C)CCN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595483801 981214819 /nfs/dbraw/zinc/21/48/19/981214819.db2.gz RDKZHEGQEKBMAD-ZDUSSCGKSA-N 0 1 397.306 3.403 20 0 GGADMN CC[C@@H]1C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)[C@H](CC)CN1C(C)=O ZINC001595484301 981218800 /nfs/dbraw/zinc/21/88/00/981218800.db2.gz PJHHCCQMVSSDOZ-HZPDHXFCSA-N 0 1 382.888 3.138 20 0 GGADMN CC[C@@H]1C[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)[C@H](CC)CN1C(C)=O ZINC001595484301 981218803 /nfs/dbraw/zinc/21/88/03/981218803.db2.gz PJHHCCQMVSSDOZ-HZPDHXFCSA-N 0 1 382.888 3.138 20 0 GGADMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595484351 981219895 /nfs/dbraw/zinc/21/98/95/981219895.db2.gz WYOQEEAPMJZNBJ-LLVKDONJSA-N 0 1 384.274 3.095 20 0 GGADMN CC[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CCN1Cc1ccccc1 ZINC001595484449 981221892 /nfs/dbraw/zinc/22/18/92/981221892.db2.gz QWUPELGTGHXNEL-NHCUHLMSSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@@H+]1Cc1ccccc1 ZINC001595484449 981221897 /nfs/dbraw/zinc/22/18/97/981221897.db2.gz QWUPELGTGHXNEL-NHCUHLMSSA-N 0 1 396.487 3.195 20 0 GGADMN CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC[N@H+]1Cc1ccccc1 ZINC001595484449 981221901 /nfs/dbraw/zinc/22/19/01/981221901.db2.gz QWUPELGTGHXNEL-NHCUHLMSSA-N 0 1 396.487 3.195 20 0 GGADMN O=C([O-])[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000907800568 981222966 /nfs/dbraw/zinc/22/29/66/981222966.db2.gz RTHPFKWGVYNPNE-OFNKIYASSA-N 0 1 384.520 3.360 20 0 GGADMN O=C([O-])[C@]1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000907801361 981223981 /nfs/dbraw/zinc/22/39/81/981223981.db2.gz XXEFAAKMQZFCKU-PQNGQFLHSA-N 0 1 392.499 3.416 20 0 GGADMN O=C([O-])[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000907800936 981224184 /nfs/dbraw/zinc/22/41/84/981224184.db2.gz VSRGXUGSHPSXLF-MIZPHKNDSA-N 0 1 378.472 3.026 20 0 GGADMN CC1(C)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000907813437 981226478 /nfs/dbraw/zinc/22/64/78/981226478.db2.gz ZPLVWIXZKQPEOY-RDPSFJRHSA-N 0 1 392.499 3.368 20 0 GGADMN C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907841094 981230763 /nfs/dbraw/zinc/23/07/63/981230763.db2.gz GFCIRTJOCWVGQX-QBVRBKIRSA-N 0 1 392.499 3.272 20 0 GGADMN O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000907985793 981251810 /nfs/dbraw/zinc/25/18/10/981251810.db2.gz XIAPRAAESDOQKU-INIZCTEOSA-N 0 1 382.435 3.325 20 0 GGADMN O=C([O-])C1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CCS2 ZINC000908179107 981280602 /nfs/dbraw/zinc/28/06/02/981280602.db2.gz ZNZBBBLAKOTPHH-KLRDNXEFSA-N 0 1 380.554 3.029 20 0 GGADMN O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000908229059 981284936 /nfs/dbraw/zinc/28/49/36/981284936.db2.gz KXKMVRHIPVOBQJ-PZJWPPBQSA-N 0 1 398.478 3.240 20 0 GGADMN O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000908379684 981311583 /nfs/dbraw/zinc/31/15/83/981311583.db2.gz YISPEPHHYULPSI-GJYPPUQNSA-N 0 1 398.425 3.201 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000908419935 981315450 /nfs/dbraw/zinc/31/54/50/981315450.db2.gz FIROSXJUSBPSRT-CEXWTWQISA-N 0 1 396.487 3.246 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N(CCC(=O)[O-])Cc3ccccc3)CC2)[nH+]c1 ZINC000908581474 981321514 /nfs/dbraw/zinc/32/15/14/981321514.db2.gz AUXCYBPIBRVBKQ-UHFFFAOYSA-N 0 1 381.476 3.110 20 0 GGADMN COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000908595290 981326954 /nfs/dbraw/zinc/32/69/54/981326954.db2.gz NOZDBIQOFDRMQZ-TZIWHRDSSA-N 0 1 396.487 3.239 20 0 GGADMN O=C([O-])C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000908647334 981332965 /nfs/dbraw/zinc/33/29/65/981332965.db2.gz YWRIIVDQTIFPQH-ZWKOTPCHSA-N 0 1 386.517 3.335 20 0 GGADMN O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000908651389 981334621 /nfs/dbraw/zinc/33/46/21/981334621.db2.gz KDJCGUWWRJJEIU-FQEVSTJZSA-N 0 1 378.472 3.229 20 0 GGADMN CC[C@@H](CNC(=O)c1ccccc1CCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000908720477 981346888 /nfs/dbraw/zinc/34/68/88/981346888.db2.gz MCJYFWRKEUQKLR-FQEVSTJZSA-N 0 1 380.488 3.271 20 0 GGADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595529376 981362634 /nfs/dbraw/zinc/36/26/34/981362634.db2.gz OXJIONSEZIMILX-DYVFJYSZSA-N 0 1 386.414 3.459 20 0 GGADMN O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(Br)cc1 ZINC000908848785 981377115 /nfs/dbraw/zinc/37/71/15/981377115.db2.gz MNGVFBFNECOXHW-PMPSAXMXSA-N 0 1 395.297 3.098 20 0 GGADMN Cc1[nH+]ccn1CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908855059 981378243 /nfs/dbraw/zinc/37/82/43/981378243.db2.gz JKHBNZNQWZKIPX-HNNXBMFYSA-N 0 1 399.369 3.203 20 0 GGADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000908899644 981385697 /nfs/dbraw/zinc/38/56/97/981385697.db2.gz WRJGKIRSMFMLFE-GOSISDBHSA-N 0 1 397.475 3.418 20 0 GGADMN O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000908900793 981385780 /nfs/dbraw/zinc/38/57/80/981385780.db2.gz LQJLQDMAJTUGIC-IBGZPJMESA-N 0 1 384.451 3.151 20 0 GGADMN CN(C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@H](C(=O)[O-])c1ccccc1 ZINC000909001163 981398144 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3.009 20 0 GGADMN O=C([O-])c1nc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cs1 ZINC000911107219 982242068 /nfs/dbraw/zinc/24/20/68/982242068.db2.gz JWSLMZHDNFBJFF-AWEZNQCLSA-N 0 1 379.869 3.062 20 0 GGADMN O=C([O-])Cc1occc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000911108327 982243658 /nfs/dbraw/zinc/24/36/58/982243658.db2.gz ODDOWLJSDDRBJH-MRXNPFEDSA-N 0 1 376.840 3.127 20 0 GGADMN O=C([O-])Cc1occc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000911119433 982248347 /nfs/dbraw/zinc/24/83/47/982248347.db2.gz IWGMTPUBJKLGRQ-UHFFFAOYSA-N 0 1 378.428 3.018 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1)C(=O)[O-] ZINC000911132429 982253034 /nfs/dbraw/zinc/25/30/34/982253034.db2.gz NHYQPUZAVXPWIJ-QGZVFWFLSA-N 0 1 398.528 3.252 20 0 GGADMN O=C([O-])c1coc(/C=C\C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000911135196 982254664 /nfs/dbraw/zinc/25/46/64/982254664.db2.gz BIVMZFUZFGKFFV-SREVYHEPSA-N 0 1 388.851 3.379 20 0 GGADMN O=C([O-])c1coc(/C=C\C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 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MDECBKGAQDUJCF-GUYCJALGSA-N 0 1 399.329 3.275 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2csc(C(=O)[O-])n2)C1 ZINC000911188180 982274334 /nfs/dbraw/zinc/27/43/34/982274334.db2.gz PERGAEISYQWHBV-OKILXGFUSA-N 0 1 387.505 3.249 20 0 GGADMN O=C([O-])Cc1occc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000911189799 982275554 /nfs/dbraw/zinc/27/55/54/982275554.db2.gz APRUPROBPHUHPU-INIZCTEOSA-N 0 1 376.840 3.127 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)[NH+]1CCCCC1 ZINC000911190137 982275760 /nfs/dbraw/zinc/27/57/60/982275760.db2.gz DROVAWKTFABDLQ-NCUBBLFSSA-N 0 1 398.459 3.343 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000911196887 982279529 /nfs/dbraw/zinc/27/95/29/982279529.db2.gz IUNPPAVSEGXKHC-XHSDSOJGSA-N 0 1 378.538 3.350 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000911199760 982281017 /nfs/dbraw/zinc/28/10/17/982281017.db2.gz DWROCKVLVPJQGI-UHFFFAOYSA-N 0 1 385.508 3.310 20 0 GGADMN 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O=C([O-])C1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC2(CCC2)C1 ZINC000911228203 982301994 /nfs/dbraw/zinc/30/19/94/982301994.db2.gz RPMCDLHBFVMGAA-UHFFFAOYSA-N 0 1 392.446 3.081 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000911240024 982307827 /nfs/dbraw/zinc/30/78/27/982307827.db2.gz SOKGNOFXZAEHLR-FQEVSTJZSA-N 0 1 395.503 3.226 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2ncc3cc(C(=O)[O-])ccc32)C1 ZINC001595712574 982308869 /nfs/dbraw/zinc/30/88/69/982308869.db2.gz ZTAKVDSBSUQNDA-QGZVFWFLSA-N 0 1 386.496 3.101 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911240222 982309779 /nfs/dbraw/zinc/30/97/79/982309779.db2.gz UNBVUTGOHPQTJV-KRWDZBQOSA-N 0 1 385.439 3.046 20 0 GGADMN CCCCCCOc1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1 ZINC001595714532 982309703 /nfs/dbraw/zinc/30/97/03/982309703.db2.gz CASSKRVXPIHGHO-QGZVFWFLSA-N 0 1 376.497 3.267 20 0 GGADMN CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000911253097 982315983 /nfs/dbraw/zinc/31/59/83/982315983.db2.gz OGTVICFATXODPB-PKOBYXMFSA-N 0 1 398.507 3.046 20 0 GGADMN Cc1cc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC000911263383 982321770 /nfs/dbraw/zinc/32/17/70/982321770.db2.gz VLNHMKVAEXSPJR-GASCZTMLSA-N 0 1 390.524 3.253 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000911275926 982326939 /nfs/dbraw/zinc/32/69/39/982326939.db2.gz RDFGOLGZTYYVRR-MRXNPFEDSA-N 0 1 386.517 3.407 20 0 GGADMN C[C@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000911304796 982333154 /nfs/dbraw/zinc/33/31/54/982333154.db2.gz YMESZBKZQZBLKB-CVEARBPZSA-N 0 1 398.528 3.428 20 0 GGADMN Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000911319104 982341824 /nfs/dbraw/zinc/34/18/24/982341824.db2.gz DKRSZGVMNJVBEH-UHFFFAOYSA-N 0 1 387.867 3.351 20 0 GGADMN C[NH+]1CCN(c2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2Cl)CC1 ZINC000911319550 982343163 /nfs/dbraw/zinc/34/31/63/982343163.db2.gz IBCKBEORZPQHQO-UHFFFAOYSA-N 0 1 393.915 3.456 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000911324290 982349393 /nfs/dbraw/zinc/34/93/93/982349393.db2.gz ZENACJFTZDZWJL-BBVFFXRHSA-N 0 1 398.459 3.210 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000911327763 982352481 /nfs/dbraw/zinc/35/24/81/982352481.db2.gz PDSUQZXUPKBDLF-UHFFFAOYSA-N 0 1 394.515 3.485 20 0 GGADMN C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000911329319 982353645 /nfs/dbraw/zinc/35/36/45/982353645.db2.gz OBRAEUVFYCIBBF-OAHLLOKOSA-N 0 1 387.480 3.441 20 0 GGADMN C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000911332276 982356128 /nfs/dbraw/zinc/35/61/28/982356128.db2.gz ZHSGWRVZIBABPL-HHXXYDBFSA-N 0 1 397.475 3.480 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000911335221 982358592 /nfs/dbraw/zinc/35/85/92/982358592.db2.gz LDKYBDLZKGDUSX-NTMALXAHSA-N 0 1 382.460 3.362 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1)C(C)C ZINC000911349089 982372687 /nfs/dbraw/zinc/37/26/87/982372687.db2.gz KXXKJLSBPZXQMF-FQEVSTJZSA-N 0 1 398.503 3.296 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001595734570 982375333 /nfs/dbraw/zinc/37/53/33/982375333.db2.gz TXZRRGORBZPZTG-UHFFFAOYSA-N 0 1 386.290 3.309 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001595734564 982375823 /nfs/dbraw/zinc/37/58/23/982375823.db2.gz SRYBZXYXMMCPGX-UHFFFAOYSA-N 0 1 377.485 3.126 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000911364801 982382811 /nfs/dbraw/zinc/38/28/11/982382811.db2.gz NMQNUAFAMNDLEO-UTKZUKDTSA-N 0 1 380.488 3.439 20 0 GGADMN O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000911367844 982385902 /nfs/dbraw/zinc/38/59/02/982385902.db2.gz XYTGMWTULVVZJW-QGZVFWFLSA-N 0 1 396.487 3.019 20 0 GGADMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595737191 982389647 /nfs/dbraw/zinc/38/96/47/982389647.db2.gz OCUKYUDLTHXCTM-OAHLLOKOSA-N 0 1 387.484 3.121 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000911371446 982389926 /nfs/dbraw/zinc/38/99/26/982389926.db2.gz GOBBHXBOKACJDN-LJQANCHMSA-N 0 1 380.488 3.298 20 0 GGADMN CCCC[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ncsc2C1 ZINC001595741079 982400139 /nfs/dbraw/zinc/40/01/39/982400139.db2.gz BDNBOUWQKRQHAB-INIZCTEOSA-N 0 1 387.505 3.439 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)oc1C(=O)[O-] ZINC000911383732 982404581 /nfs/dbraw/zinc/40/45/81/982404581.db2.gz SERQSGDRQSMKRZ-AWEZNQCLSA-N 0 1 396.365 3.309 20 0 GGADMN O=C([O-])c1coc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000911383838 982406293 /nfs/dbraw/zinc/40/62/93/982406293.db2.gz WOTRKTFRBXRVFX-CQSZACIVSA-N 0 1 382.338 3.001 20 0 GGADMN O=C([O-])c1coc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000911383838 982406302 /nfs/dbraw/zinc/40/63/02/982406302.db2.gz WOTRKTFRBXRVFX-CQSZACIVSA-N 0 1 382.338 3.001 20 0 GGADMN C[C@H]1[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000911384541 982407097 /nfs/dbraw/zinc/40/70/97/982407097.db2.gz CZUNGALDEHMBJE-JXFKEZNVSA-N 0 1 391.471 3.119 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911385804 982409265 /nfs/dbraw/zinc/40/92/65/982409265.db2.gz UPOSUDDYHRBUOH-OAHLLOKOSA-N 0 1 383.286 3.142 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3cc4[nH]ccc4c(C(=O)[O-])c3)CC2)cs1 ZINC000911386974 982411342 /nfs/dbraw/zinc/41/13/42/982411342.db2.gz LRCDSGZNDBYZSS-UHFFFAOYSA-N 0 1 398.488 3.482 20 0 GGADMN O=C([O-])c1cn(CC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c2ccccc12 ZINC000911396304 982416485 /nfs/dbraw/zinc/41/64/85/982416485.db2.gz LYMAKYSNTHDDDE-QGZVFWFLSA-N 0 1 383.492 3.253 20 0 GGADMN CC[N@@H+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@@H](C)C1 ZINC000911406273 982418710 /nfs/dbraw/zinc/41/87/10/982418710.db2.gz ALAIXJYBBINSNV-AWEZNQCLSA-N 0 1 388.489 3.436 20 0 GGADMN CC[N@H+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@@H](C)C1 ZINC000911406273 982418713 /nfs/dbraw/zinc/41/87/13/982418713.db2.gz ALAIXJYBBINSNV-AWEZNQCLSA-N 0 1 388.489 3.436 20 0 GGADMN CCCC[N@H+](CCOC)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001595749120 982420869 /nfs/dbraw/zinc/42/08/69/982420869.db2.gz IDPHOQWFDPUBPZ-ZDUSSCGKSA-N 0 1 382.526 3.258 20 0 GGADMN CCCC[N@@H+](CCOC)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001595749120 982420872 /nfs/dbraw/zinc/42/08/72/982420872.db2.gz IDPHOQWFDPUBPZ-ZDUSSCGKSA-N 0 1 382.526 3.258 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000911413597 982421342 /nfs/dbraw/zinc/42/13/42/982421342.db2.gz VGZHYSPFVJNOAB-BPUTZDHNSA-N 0 1 386.414 3.315 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001595751720 982436174 /nfs/dbraw/zinc/43/61/74/982436174.db2.gz VTTXWUNYPSGKEP-MSOLQXFVSA-N 0 1 391.560 3.357 20 0 GGADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001595751701 982436782 /nfs/dbraw/zinc/43/67/82/982436782.db2.gz VEXZEJQGICODIS-SFHVURJKSA-N 0 1 376.497 3.151 20 0 GGADMN C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000911453989 982438269 /nfs/dbraw/zinc/43/82/69/982438269.db2.gz BCLFHMOFFGGDPT-INIZCTEOSA-N 0 1 391.471 3.142 20 0 GGADMN C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000911453989 982438273 /nfs/dbraw/zinc/43/82/73/982438273.db2.gz BCLFHMOFFGGDPT-INIZCTEOSA-N 0 1 391.471 3.142 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000911461488 982443509 /nfs/dbraw/zinc/44/35/09/982443509.db2.gz BZAZCRAKEACUBS-LSDHHAIUSA-N 0 1 376.522 3.389 20 0 GGADMN C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC000911461485 982443540 /nfs/dbraw/zinc/44/35/40/982443540.db2.gz BZAZCRAKEACUBS-CABCVRRESA-N 0 1 376.522 3.389 20 0 GGADMN CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001595755972 982452838 /nfs/dbraw/zinc/45/28/38/982452838.db2.gz NEJWXKLDARXYJO-XJKSGUPXSA-N 0 1 386.414 3.459 20 0 GGADMN CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001595756065 982453490 /nfs/dbraw/zinc/45/34/90/982453490.db2.gz QOTLWQNHQSTYMU-CJNGLKHVSA-N 0 1 397.313 3.203 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)CCSCC(=O)[O-] ZINC000911501124 982459285 /nfs/dbraw/zinc/45/92/85/982459285.db2.gz RMDVLHQFCYKKIV-UHFFFAOYSA-N 0 1 378.538 3.096 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000911500696 982459417 /nfs/dbraw/zinc/45/94/17/982459417.db2.gz MCNXISIMEYBRCD-UHFFFAOYSA-N 0 1 381.476 3.295 20 0 GGADMN COc1cccc([C@H]2[C@@H](NC(=O)C34CCC(C(=O)[O-])(CC3)C4)CC[N@H+]2C2CC2)c1 ZINC000911504122 982461514 /nfs/dbraw/zinc/46/15/14/982461514.db2.gz BIRDOEQKNORHDK-NAMINWQUSA-N 0 1 398.503 3.124 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(=O)[O-])cc3F)CC[N@H+]2C2CC2)c1 ZINC000911505762 982462619 /nfs/dbraw/zinc/46/26/19/982462619.db2.gz VVMKEUFCMILWGL-VQTJNVASSA-N 0 1 398.434 3.240 20 0 GGADMN C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000911508655 982463512 /nfs/dbraw/zinc/46/35/12/982463512.db2.gz MPUWZMQHIWSYBD-XIKOKIGWSA-N 0 1 394.830 3.122 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)c2ccoc2CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000911508655 982463515 /nfs/dbraw/zinc/46/35/15/982463515.db2.gz MPUWZMQHIWSYBD-XIKOKIGWSA-N 0 1 394.830 3.122 20 0 GGADMN C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000911508615 982463938 /nfs/dbraw/zinc/46/39/38/982463938.db2.gz LNIUDNROXIJWHU-CVEARBPZSA-N 0 1 383.492 3.109 20 0 GGADMN C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000911509689 982464298 /nfs/dbraw/zinc/46/42/98/982464298.db2.gz WGENFOFEQZGEBU-CABCVRRESA-N 0 1 383.492 3.178 20 0 GGADMN CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC001595759192 982464612 /nfs/dbraw/zinc/46/46/12/982464612.db2.gz UBOKJTVMVZGTJR-INIZCTEOSA-N 0 1 378.469 3.144 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911522561 982471496 /nfs/dbraw/zinc/47/14/96/982471496.db2.gz JDUSPHMIUYTZBV-SXAWMYDMSA-N 0 1 382.460 3.362 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911522559 982471504 /nfs/dbraw/zinc/47/15/04/982471504.db2.gz JDUSPHMIUYTZBV-FYGXRCCRSA-N 0 1 382.460 3.362 20 0 GGADMN CC[C@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000911530363 982477421 /nfs/dbraw/zinc/47/74/21/982477421.db2.gz AFZLDTBTRGBLSV-FQEVSTJZSA-N 0 1 380.488 3.440 20 0 GGADMN C[C@@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000911532691 982478959 /nfs/dbraw/zinc/47/89/59/982478959.db2.gz CNEPJBOZHOOHSQ-SFHVURJKSA-N 0 1 380.488 3.298 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)C(=O)[O-] ZINC000911541245 982485116 /nfs/dbraw/zinc/48/51/16/982485116.db2.gz MAVQZEUJFLBDSC-HNNXBMFYSA-N 0 1 390.505 3.439 20 0 GGADMN C[C@H](CC(=O)[O-])CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 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CDNOWSDEDKALCR-BBVFFXRHSA-N 0 1 382.460 3.410 20 0 GGADMN O=C([O-])C1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000911612206 982539300 /nfs/dbraw/zinc/53/93/00/982539300.db2.gz LMUSWWCCNHAVPS-IBGZPJMESA-N 0 1 384.520 3.440 20 0 GGADMN O=C([O-])c1coc(/C=C/C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000911611234 982539311 /nfs/dbraw/zinc/53/93/11/982539311.db2.gz CDNOWSDEDKALCR-QZEKMECESA-N 0 1 382.460 3.410 20 0 GGADMN O=C([O-])c1coc(/C=C\C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000911611233 982539484 /nfs/dbraw/zinc/53/94/84/982539484.db2.gz CDNOWSDEDKALCR-LPADLIQXSA-N 0 1 382.460 3.410 20 0 GGADMN Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000911614531 982544312 /nfs/dbraw/zinc/54/43/12/982544312.db2.gz ZOJFZGIFBVIVPB-SFHVURJKSA-N 0 1 384.476 3.247 20 0 GGADMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C(=O)[O-])c(C)n1C ZINC001594930920 982556979 /nfs/dbraw/zinc/55/69/79/982556979.db2.gz CKCKAPSSOQWRTB-AOMKIAJQSA-N 0 1 398.551 3.468 20 0 GGADMN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001594930920 982556986 /nfs/dbraw/zinc/55/69/86/982556986.db2.gz CKCKAPSSOQWRTB-AOMKIAJQSA-N 0 1 398.551 3.468 20 0 GGADMN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001594930920 982556999 /nfs/dbraw/zinc/55/69/99/982556999.db2.gz CKCKAPSSOQWRTB-AOMKIAJQSA-N 0 1 398.551 3.468 20 0 GGADMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931822 982570442 /nfs/dbraw/zinc/57/04/42/982570442.db2.gz XJKJPCBXHMMULT-IERDGZPVSA-N 0 1 384.524 3.159 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C3(C(=O)[O-])CC4(CCC4)C3)C2)s1 ZINC000911742626 982624607 /nfs/dbraw/zinc/62/46/07/982624607.db2.gz KQEUWMRUHTXHOB-INIZCTEOSA-N 0 1 390.549 3.372 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3oc(C(=O)[O-])cc3C)C2)s1 ZINC000911743849 982625542 /nfs/dbraw/zinc/62/55/42/982625542.db2.gz WNQJFAOXVAWGAW-AWEZNQCLSA-N 0 1 376.478 3.250 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3oc(C(=O)[O-])cc3C)C2)s1 ZINC000911744150 982626582 /nfs/dbraw/zinc/62/65/82/982626582.db2.gz WNQJFAOXVAWGAW-CQSZACIVSA-N 0 1 376.478 3.250 20 0 GGADMN CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911744535 982626653 /nfs/dbraw/zinc/62/66/53/982626653.db2.gz JWOSNCMRGMMRBU-UHFFFAOYSA-N 0 1 375.856 3.027 20 0 GGADMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C2)s1 ZINC000911744204 982626696 /nfs/dbraw/zinc/62/66/96/982626696.db2.gz YNQJQJUOOANESS-BRWVUGGUSA-N 0 1 378.538 3.228 20 0 GGADMN C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911773848 982642400 /nfs/dbraw/zinc/64/24/00/982642400.db2.gz OWFREFVMLBHRET-ORYQWCPZSA-N 0 1 398.478 3.411 20 0 GGADMN CC[C@H](C(=O)[O-])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000911774555 982642929 /nfs/dbraw/zinc/64/29/29/982642929.db2.gz RSBDFBCPDKXQGC-SLFFLAALSA-N 0 1 384.451 3.021 20 0 GGADMN CC[C@@H](C)C[C@@H]([NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001594952735 982673023 /nfs/dbraw/zinc/67/30/23/982673023.db2.gz JFMGPTNGCKYWQK-TZMCWYRMSA-N 0 1 397.541 3.415 20 0 GGADMN CCCN(C(=O)CCc1ocnc1C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001595816451 982673146 /nfs/dbraw/zinc/67/31/46/982673146.db2.gz KSXPNOVLIJBIEI-GOSISDBHSA-N 0 1 399.491 3.209 20 0 GGADMN CCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001595822775 982694174 /nfs/dbraw/zinc/69/41/74/982694174.db2.gz NEASHDCGBCTBIS-QGZVFWFLSA-N 0 1 399.495 3.027 20 0 GGADMN CCCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)[C@H]1CC[N@@H+](C)C1 ZINC001595823310 982697681 /nfs/dbraw/zinc/69/76/81/982697681.db2.gz TYEFYLQSVASKEK-HNNXBMFYSA-N 0 1 385.464 3.251 20 0 GGADMN CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001595834696 982734243 /nfs/dbraw/zinc/73/42/43/982734243.db2.gz BMNSSHKYNARZIR-UHFFFAOYSA-N 0 1 398.891 3.239 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001595837041 982745529 /nfs/dbraw/zinc/74/55/29/982745529.db2.gz RIDWGXPSDMBMNU-QGZVFWFLSA-N 0 1 375.856 3.246 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595837097 982746324 /nfs/dbraw/zinc/74/63/24/982746324.db2.gz UQJWPYMXIDCFIG-IAGOWNOFSA-N 0 1 381.904 3.372 20 0 GGADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001595839224 982751042 /nfs/dbraw/zinc/75/10/42/982751042.db2.gz KEHVPSRHHRKCJV-HNNXBMFYSA-N 0 1 379.526 3.449 20 0 GGADMN CC[C@@H](C)[N@@H+](CCc1ccccc1F)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594985334 982799065 /nfs/dbraw/zinc/79/90/65/982799065.db2.gz NFONDOLJDRNEKO-CYBMUJFWSA-N 0 1 393.484 3.191 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595865039 982821204 /nfs/dbraw/zinc/82/12/04/982821204.db2.gz RDZHMWOXAKWXQE-UHFFFAOYSA-N 0 1 386.452 3.426 20 0 GGADMN CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595867149 982833068 /nfs/dbraw/zinc/83/30/68/982833068.db2.gz LEYSTCKKQQXOOW-AWEZNQCLSA-N 0 1 386.496 3.054 20 0 GGADMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595867164 982833189 /nfs/dbraw/zinc/83/31/89/982833189.db2.gz LUEODPUGKLWZQT-LLVKDONJSA-N 0 1 386.290 3.389 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@H]1C1CC1 ZINC000923528629 982856649 /nfs/dbraw/zinc/85/66/49/982856649.db2.gz GVAJTWCFMVIEOZ-VQTJNVASSA-N 0 1 385.508 3.048 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000923530378 982861387 /nfs/dbraw/zinc/86/13/87/982861387.db2.gz YMBDLSJDEJVJEP-SORVUCRQSA-N 0 1 384.520 3.174 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C1CC1 ZINC000923530788 982862512 /nfs/dbraw/zinc/86/25/12/982862512.db2.gz AZYXLXWDXAWOJW-UEXGIBASSA-N 0 1 398.528 3.386 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923532185 982864260 /nfs/dbraw/zinc/86/42/60/982864260.db2.gz NXBQMDNNZYNTIE-FPMFFAJLSA-N 0 1 380.872 3.027 20 0 GGADMN CCC[N@@H+](CCN1CCCCCC1)[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595880448 982888487 /nfs/dbraw/zinc/88/84/87/982888487.db2.gz WKJXHHDDOSFFJC-IBGZPJMESA-N 0 1 376.497 3.187 20 0 GGADMN CCCN(CC[NH+]1CCCCCC1)[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595880448 982888500 /nfs/dbraw/zinc/88/85/00/982888500.db2.gz WKJXHHDDOSFFJC-IBGZPJMESA-N 0 1 376.497 3.187 20 0 GGADMN CCC[N@@H+](CCOc1cccc(C(=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595884339 982906702 /nfs/dbraw/zinc/90/67/02/982906702.db2.gz SIAZZKHRHPJZNA-QGZVFWFLSA-N 0 1 392.496 3.485 20 0 GGADMN CCC[N@@H+](Cc1cc(C(=O)[O-])n(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001595885772 982908460 /nfs/dbraw/zinc/90/84/60/982908460.db2.gz FLONRUXPDGPANS-UHFFFAOYSA-N 0 1 383.492 3.240 20 0 GGADMN CCC[N@@H+](Cc1ncc(C(=O)[O-])s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001595890923 982921971 /nfs/dbraw/zinc/92/19/71/982921971.db2.gz GKBIBKQJINUSTB-UHFFFAOYSA-N 0 1 383.514 3.453 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001117743304 982937907 /nfs/dbraw/zinc/93/79/07/982937907.db2.gz BWKBERNUKMTAND-OAHLLOKOSA-N 0 1 378.778 3.032 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001117743304 982937910 /nfs/dbraw/zinc/93/79/10/982937910.db2.gz BWKBERNUKMTAND-OAHLLOKOSA-N 0 1 378.778 3.032 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595014194 982950399 /nfs/dbraw/zinc/95/03/99/982950399.db2.gz PGNOVQJEPVBEFG-ARFHVFGLSA-N 0 1 399.495 3.154 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595014194 982950403 /nfs/dbraw/zinc/95/04/03/982950403.db2.gz PGNOVQJEPVBEFG-ARFHVFGLSA-N 0 1 399.495 3.154 20 0 GGADMN Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001118283517 982950457 /nfs/dbraw/zinc/95/04/57/982950457.db2.gz AJPLZMOLMPNQJJ-OAHLLOKOSA-N 0 1 382.489 3.119 20 0 GGADMN CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001595906589 982975312 /nfs/dbraw/zinc/97/53/12/982975312.db2.gz FZEKBYCWMNNXLW-HNNXBMFYSA-N 0 1 384.436 3.178 20 0 GGADMN O=C([O-])[C@@H]1C[N@H+](Cc2cncc(Br)c2)C[C@H]1c1ccc(F)cc1F ZINC001119535151 982981258 /nfs/dbraw/zinc/98/12/58/982981258.db2.gz VBZMJUCAZJTSEB-LSDHHAIUSA-N 0 1 397.219 3.423 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@H]1c1ccc(F)cc1F ZINC001119535151 982981264 /nfs/dbraw/zinc/98/12/64/982981264.db2.gz VBZMJUCAZJTSEB-LSDHHAIUSA-N 0 1 397.219 3.423 20 0 GGADMN COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001119536800 982983622 /nfs/dbraw/zinc/98/36/22/982983622.db2.gz RAKHFULDXDVXJV-OCCSQVGLSA-N 0 1 383.370 3.170 20 0 GGADMN Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cc1 ZINC001119573867 982987140 /nfs/dbraw/zinc/98/71/40/982987140.db2.gz KECSSHOSBBVUFI-OAQYLSRUSA-N 0 1 391.471 3.410 20 0 GGADMN 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/nfs/dbraw/zinc/97/57/20/983975720.db2.gz AEHZJCPUDUTJNT-WBMJQRKESA-N 0 1 399.329 3.318 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])C[C@H]1C ZINC001596407220 983975854 /nfs/dbraw/zinc/97/58/54/983975854.db2.gz BGXCUAWMIXPFTA-RHSMWYFYSA-N 0 1 390.505 3.031 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001596417413 984040003 /nfs/dbraw/zinc/04/00/03/984040003.db2.gz FFKKOWUVWKYWBC-HNNXBMFYSA-N 0 1 388.493 3.360 20 0 GGADMN CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001596423702 984065084 /nfs/dbraw/zinc/06/50/84/984065084.db2.gz DTBSJDBEXQHBTE-MOPGFXCFSA-N 0 1 397.523 3.121 20 0 GGADMN CC[N@H+]1CCN(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)[C@H](C)C1 ZINC001596431745 984103021 /nfs/dbraw/zinc/10/30/21/984103021.db2.gz MPJPPEVNLFNUEX-SNVBAGLBSA-N 0 1 384.274 3.014 20 0 GGADMN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1C(=O)[O-] ZINC001596456746 984164582 /nfs/dbraw/zinc/16/45/82/984164582.db2.gz ABMYIQINQOEVHH-AWEZNQCLSA-N 0 1 383.286 3.028 20 0 GGADMN CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)c1 ZINC001596485569 984221430 /nfs/dbraw/zinc/22/14/30/984221430.db2.gz HVNDIUKVFJNORH-UHFFFAOYSA-N 0 1 391.265 3.187 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001596551132 984411853 /nfs/dbraw/zinc/41/18/53/984411853.db2.gz FSLDKZPFEVDDPX-IBGZPJMESA-N 0 1 383.872 3.328 20 0 GGADMN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cc(C(=O)[O-])c(CC)o2)CC1 ZINC001596551171 984412574 /nfs/dbraw/zinc/41/25/74/984412574.db2.gz GGVLMVMVTJVHFG-UHFFFAOYSA-N 0 1 377.359 3.248 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001596551890 984414550 /nfs/dbraw/zinc/41/45/50/984414550.db2.gz KVNDQHIRUAXDSQ-TYOLEZHBSA-N 0 1 375.465 3.074 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001596552261 984416105 /nfs/dbraw/zinc/41/61/05/984416105.db2.gz NJFWRGYALAHSAI-MAUKXSAKSA-N 0 1 398.297 3.486 20 0 GGADMN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001596553154 984421054 /nfs/dbraw/zinc/42/10/54/984421054.db2.gz UDYGRIXKQOYSKC-MRXNPFEDSA-N 0 1 388.258 3.152 20 0 GGADMN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC001596561107 984439486 /nfs/dbraw/zinc/43/94/86/984439486.db2.gz XNQVHUGKUZHTLM-QHCPKHFHSA-N 0 1 381.472 3.454 20 0 GGADMN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC001596615776 984581615 /nfs/dbraw/zinc/58/16/15/984581615.db2.gz DFVUHDPRSPZURJ-STQMWFEESA-N 0 1 377.462 3.142 20 0 GGADMN C/C(=C\C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1)c1ccccc1C(F)(F)F ZINC001588937635 984617884 /nfs/dbraw/zinc/61/78/84/984617884.db2.gz NQKAKTTZHRZWQR-CMPYXILNSA-N 0 1 384.398 3.116 20 0 GGADMN CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001596644309 984649967 /nfs/dbraw/zinc/64/99/67/984649967.db2.gz KNSBQLWOSNBCDE-AWEZNQCLSA-N 0 1 395.525 3.279 20 0 GGADMN C[C@H](CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001599888250 984663095 /nfs/dbraw/zinc/66/30/95/984663095.db2.gz ICGLTHZKMBNBIU-HCLVMJGWSA-N 0 1 380.488 3.056 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001599890755 984690950 /nfs/dbraw/zinc/69/09/50/984690950.db2.gz BHNVENWFRAGVOR-GFCCVEGCSA-N 0 1 376.844 3.075 20 0 GGADMN C/C(=C/C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588959410 984724188 /nfs/dbraw/zinc/72/41/88/984724188.db2.gz YJQSTHRIQKMILQ-JUPNIWIKSA-N 0 1 380.407 3.042 20 0 GGADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@](C)(C(=O)[O-])C3)cc(=O)oc2c1 ZINC001596667232 984733547 /nfs/dbraw/zinc/73/35/47/984733547.db2.gz VBUOLNHSOLHHJS-FQEVSTJZSA-N 0 1 388.420 3.048 20 0 GGADMN C[C@H](NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1)C(=O)[O-] ZINC001599899313 984793364 /nfs/dbraw/zinc/79/33/64/984793364.db2.gz VIUCBJHMWFCRQI-RYUDHWBXSA-N 0 1 394.830 3.339 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1C ZINC001596692303 984812444 /nfs/dbraw/zinc/81/24/44/984812444.db2.gz UAHRROHTHPISQZ-AWEZNQCLSA-N 0 1 399.491 3.217 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](OC)C[C@H]3C(=O)[O-])o2)cc1 ZINC001596714390 984941720 /nfs/dbraw/zinc/94/17/20/984941720.db2.gz ODADHNHGWGQUSA-AEFFLSMTSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](OC)C[C@H]3C(=O)[O-])o2)cc1 ZINC001596714390 984941725 /nfs/dbraw/zinc/94/17/25/984941725.db2.gz ODADHNHGWGQUSA-AEFFLSMTSA-N 0 1 387.432 3.187 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001596715330 984945158 /nfs/dbraw/zinc/94/51/58/984945158.db2.gz VDTHBHXICRAZLF-GOSISDBHSA-N 0 1 389.448 3.433 20 0 GGADMN CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-])o2)cc1 ZINC001596715330 984945162 /nfs/dbraw/zinc/94/51/62/984945162.db2.gz VDTHBHXICRAZLF-GOSISDBHSA-N 0 1 389.448 3.433 20 0 GGADMN CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(Br)c2)o1 ZINC001596718831 984954073 /nfs/dbraw/zinc/95/40/73/984954073.db2.gz CSWXHQHZKQBIOO-UHFFFAOYSA-N 0 1 382.210 3.207 20 0 GGADMN CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1C[C@H]3CCCC[C@@]3(C(=O)[O-])C1)n2CC ZINC001596729098 984988378 /nfs/dbraw/zinc/98/83/78/984988378.db2.gz KMVJTPAEIFMVDI-OPAMFIHVSA-N 0 1 399.491 3.310 20 0 GGADMN CCOC(=O)c1cccc(C[NH+]2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n1 ZINC001596729771 984991676 /nfs/dbraw/zinc/99/16/76/984991676.db2.gz VYOVEQPQHXOFOD-UHFFFAOYSA-N 0 1 383.448 3.033 20 0 GGADMN CCOC(=O)c1csc(C[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001596747274 985074012 /nfs/dbraw/zinc/07/40/12/985074012.db2.gz XWKLGSXRHHBTFG-UONOGXRCSA-N 0 1 394.880 3.273 20 0 GGADMN CCOC(=O)c1csc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001596747274 985074022 /nfs/dbraw/zinc/07/40/22/985074022.db2.gz XWKLGSXRHHBTFG-UONOGXRCSA-N 0 1 394.880 3.273 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[C@H]1C(=O)[O-] ZINC001599918313 985092010 /nfs/dbraw/zinc/09/20/10/985092010.db2.gz LHTDVWNCYGWFFI-UHOSZYNNSA-N 0 1 387.524 3.039 20 0 GGADMN C[C@H]1CN(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[C@H]1C(=O)[O-] ZINC001599920154 985120075 /nfs/dbraw/zinc/12/00/75/985120075.db2.gz STELREZWZWAOJL-DARKYYSBSA-N 0 1 399.535 3.039 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@]1(C)C(=O)[O-] ZINC001599920249 985122320 /nfs/dbraw/zinc/12/23/20/985122320.db2.gz KEXLLHVJJNCGHB-JLMWRMLUSA-N 0 1 399.535 3.041 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)nc1C ZINC001596756101 985133676 /nfs/dbraw/zinc/13/36/76/985133676.db2.gz MPMWBUDEMFQCLU-CYBMUJFWSA-N 0 1 392.452 3.455 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccccc3CC(=O)[O-])C2)nc1C ZINC001596756306 985135032 /nfs/dbraw/zinc/13/50/32/985135032.db2.gz QGRATDDFLIHVGC-MRXNPFEDSA-N 0 1 388.489 3.245 20 0 GGADMN CCOC(=O)c1sc([C@H]2CC[N@H+]([C@@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756586 985136017 /nfs/dbraw/zinc/13/60/17/985136017.db2.gz WICLGASOCDPZLQ-RYUDHWBXSA-N 0 1 378.450 3.470 20 0 GGADMN CCOC(=O)c1sc([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C(=O)[O-])o3)C2)nc1C ZINC001596756584 985136471 /nfs/dbraw/zinc/13/64/71/985136471.db2.gz WICLGASOCDPZLQ-NWDGAFQWSA-N 0 1 378.450 3.470 20 0 GGADMN CC(=O)N(c1nc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)cs1)c1cccc(Cl)c1 ZINC001589051299 985137411 /nfs/dbraw/zinc/13/74/11/985137411.db2.gz DVJFCIQWFHWKIP-BJHJDKERSA-N 0 1 379.869 3.434 20 0 GGADMN CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1F ZINC001589053744 985149174 /nfs/dbraw/zinc/14/91/74/985149174.db2.gz FIVYLAGVUCPPAY-UMSPYCQHSA-N 0 1 381.404 3.059 20 0 GGADMN CC(=O)N1CCCCC[C@@H]1C1CC[NH+]([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001589072988 985223359 /nfs/dbraw/zinc/22/33/59/985223359.db2.gz VJKGJXRMXVOKTR-XJKSGUPXSA-N 0 1 379.526 3.405 20 0 GGADMN CC(=O)N1CCCCC[C@H]1C1CC[NH+]([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001589072979 985223665 /nfs/dbraw/zinc/22/36/65/985223665.db2.gz VJKGJXRMXVOKTR-BBRMVZONSA-N 0 1 379.526 3.405 20 0 GGADMN C[C@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@]1(C)C(=O)[O-] ZINC001599928021 985244215 /nfs/dbraw/zinc/24/42/15/985244215.db2.gz PWNHYGCYGFBSJR-LFRPXUGBSA-N 0 1 378.488 3.462 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599928769 985263003 /nfs/dbraw/zinc/26/30/03/985263003.db2.gz IMWLCDLBQOKUBG-FUHWJXTLSA-N 0 1 394.471 3.289 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599928805 985263573 /nfs/dbraw/zinc/26/35/73/985263573.db2.gz JTQITYWOFSFMPQ-SBUREZEXSA-N 0 1 380.488 3.325 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599929212 985274400 /nfs/dbraw/zinc/27/44/00/985274400.db2.gz ZBXDLVCKKDRWTJ-HJPURHCSSA-N 0 1 394.471 3.289 20 0 GGADMN C[C@@H]1CN(CC[N@@H+](C)[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC001599929582 985285025 /nfs/dbraw/zinc/28/50/25/985285025.db2.gz FXQGEJVTCCNXRZ-OZVIIMIRSA-N 0 1 375.296 3.160 20 0 GGADMN C[C@@H]1CN(CC[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC001599929777 985289285 /nfs/dbraw/zinc/28/92/85/985289285.db2.gz NQMFJTYNKUYGRQ-OZVIIMIRSA-N 0 1 375.296 3.160 20 0 GGADMN CC(=O)NCC[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccsc1 ZINC001589139876 985447710 /nfs/dbraw/zinc/44/77/10/985447710.db2.gz MKQFDRUJJBYAIU-UHFFFAOYSA-N 0 1 396.896 3.117 20 0 GGADMN CC(=O)NCC[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccsc1 ZINC001589139876 985447717 /nfs/dbraw/zinc/44/77/17/985447717.db2.gz MKQFDRUJJBYAIU-UHFFFAOYSA-N 0 1 396.896 3.117 20 0 GGADMN CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001589139907 985448247 /nfs/dbraw/zinc/44/82/47/985448247.db2.gz NJSOOMUJRBPQQV-OAHLLOKOSA-N 0 1 390.505 3.047 20 0 GGADMN CCO[C@H]1C[C@@]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)(C(=O)[O-])C1(C)C ZINC001596834457 985479359 /nfs/dbraw/zinc/47/93/59/985479359.db2.gz ZUIGJXFHQYWQHV-HRAATJIYSA-N 0 1 376.497 3.171 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c(C)c1C(=O)[O-] ZINC001599943581 985486906 /nfs/dbraw/zinc/48/69/06/985486906.db2.gz DUBNTRVSQICIMS-GOSISDBHSA-N 0 1 384.476 3.176 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943938 985490916 /nfs/dbraw/zinc/49/09/16/985490916.db2.gz GJCBIJUZPLTSAU-ZUZCIYMTSA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C)c1C(=O)[O-] ZINC001599943938 985490927 /nfs/dbraw/zinc/49/09/27/985490927.db2.gz GJCBIJUZPLTSAU-ZUZCIYMTSA-N 0 1 376.350 3.267 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1C(=O)[O-] ZINC001599943903 985491281 /nfs/dbraw/zinc/49/12/81/985491281.db2.gz FXOIKFBXASKMNK-HNNXBMFYSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)[C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC001599943923 985491331 /nfs/dbraw/zinc/49/13/31/985491331.db2.gz GIOGBRINFKUHSC-DLBZAZTESA-N 0 1 383.492 3.280 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001594478226 985504006 /nfs/dbraw/zinc/50/40/06/985504006.db2.gz OCQZKHOXDHQYKP-ZDUSSCGKSA-N 0 1 389.402 3.401 20 0 GGADMN C[C@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC001594478226 985504011 /nfs/dbraw/zinc/50/40/11/985504011.db2.gz OCQZKHOXDHQYKP-ZDUSSCGKSA-N 0 1 389.402 3.401 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1C(=O)[O-] ZINC001599944909 985508962 /nfs/dbraw/zinc/50/89/62/985508962.db2.gz LRFMNGVLNYEUGM-VNQPRFMTSA-N 0 1 375.513 3.144 20 0 GGADMN CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001589166112 985511139 /nfs/dbraw/zinc/51/11/39/985511139.db2.gz CFEKMJWRQQRTDK-CQSZACIVSA-N 0 1 381.270 3.094 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c(C)c1C(=O)[O-] ZINC001599945398 985517614 /nfs/dbraw/zinc/51/76/14/985517614.db2.gz NANJXPNVLYUQCD-HNNXBMFYSA-N 0 1 380.448 3.027 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945988 985528492 /nfs/dbraw/zinc/52/84/92/985528492.db2.gz QMEKLTHXCPLMKO-JKSUJKDBSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001599945988 985528499 /nfs/dbraw/zinc/52/84/99/985528499.db2.gz QMEKLTHXCPLMKO-JKSUJKDBSA-N 0 1 398.507 3.313 20 0 GGADMN Cc1[nH]c(C(=O)C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c(C)c1C(=O)[O-] ZINC001599946209 985532527 /nfs/dbraw/zinc/53/25/27/985532527.db2.gz XCGKFMLAEHLACC-UHFFFAOYSA-N 0 1 394.475 3.343 20 0 GGADMN C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594486085 985561961 /nfs/dbraw/zinc/56/19/61/985561961.db2.gz PPVGCMJCGYVOKR-SNVBAGLBSA-N 0 1 384.263 3.096 20 0 GGADMN C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594486083 985562438 /nfs/dbraw/zinc/56/24/38/985562438.db2.gz PPVGCMJCGYVOKR-JTQLQIEISA-N 0 1 384.263 3.096 20 0 GGADMN Cc1[nH]c(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)c(C)c1C(=O)[O-] ZINC001599950287 985597055 /nfs/dbraw/zinc/59/70/55/985597055.db2.gz HJDSOLBXPMWTCG-ZRZAMGCNSA-N 0 1 395.503 3.314 20 0 GGADMN Cc1[nH]c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(C)c1C(=O)[O-] ZINC001599951814 985620661 /nfs/dbraw/zinc/62/06/61/985620661.db2.gz AMNKQTBWEQWDJA-UHFFFAOYSA-N 0 1 391.418 3.002 20 0 GGADMN Cc1[nH]c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c(C)c1C(=O)[O-] ZINC001599952097 985625749 /nfs/dbraw/zinc/62/57/49/985625749.db2.gz GEXSWUNMSCNASP-AWEZNQCLSA-N 0 1 384.480 3.388 20 0 GGADMN Cc1[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1C(=O)[O-] ZINC001599952907 985639399 /nfs/dbraw/zinc/63/93/99/985639399.db2.gz YZLSYLLLMODTFE-CQSZACIVSA-N 0 1 383.492 3.492 20 0 GGADMN C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)CC[N@@H+]1CCC(=O)[O-] ZINC001594496424 985643521 /nfs/dbraw/zinc/64/35/21/985643521.db2.gz NMQNZNHMRCROPM-SNVBAGLBSA-N 0 1 384.860 3.315 20 0 GGADMN C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)CC[N@H+]1CCC(=O)[O-] ZINC001594496424 985643525 /nfs/dbraw/zinc/64/35/25/985643525.db2.gz NMQNZNHMRCROPM-SNVBAGLBSA-N 0 1 384.860 3.315 20 0 GGADMN CC(=O)Nc1ccc2c(C[N@H+]3CCc4cc(C(=O)[O-])ccc4C3)cc(=O)oc2c1 ZINC001589204086 985656054 /nfs/dbraw/zinc/65/60/54/985656054.db2.gz HENVDTXANOGDPM-UHFFFAOYSA-N 0 1 392.411 3.008 20 0 GGADMN Cc1[nH]c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c(C)c1C(=O)[O-] ZINC001599954352 985662165 /nfs/dbraw/zinc/66/21/65/985662165.db2.gz ALJOQPTXKIBSIG-UHFFFAOYSA-N 0 1 395.463 3.444 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001599954798 985669573 /nfs/dbraw/zinc/66/95/73/985669573.db2.gz XLSYWZPWJNKVPD-UHFFFAOYSA-N 0 1 383.492 3.411 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC001599955169 985676765 /nfs/dbraw/zinc/67/67/65/985676765.db2.gz BLOZWZPDRRDBLJ-PBHICJAKSA-N 0 1 375.856 3.158 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC001599955169 985676772 /nfs/dbraw/zinc/67/67/72/985676772.db2.gz BLOZWZPDRRDBLJ-PBHICJAKSA-N 0 1 375.856 3.158 20 0 GGADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594501076 985684152 /nfs/dbraw/zinc/68/41/52/985684152.db2.gz LAMXAADJEPLRAU-MFKMUULPSA-N 0 1 384.320 3.400 20 0 GGADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CCN1CC(F)(F)F ZINC001594501076 985684161 /nfs/dbraw/zinc/68/41/61/985684161.db2.gz LAMXAADJEPLRAU-MFKMUULPSA-N 0 1 384.320 3.400 20 0 GGADMN Cc1[nH]c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c(C)c1C(=O)[O-] ZINC001599956308 985695441 /nfs/dbraw/zinc/69/54/41/985695441.db2.gz RYQKLCBVUBNZQK-UHFFFAOYSA-N 0 1 376.482 3.415 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001599957242 985709542 /nfs/dbraw/zinc/70/95/42/985709542.db2.gz KEGDOCWSFBGTGM-QAPCUYQASA-N 0 1 383.492 3.189 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC001599958773 985738719 /nfs/dbraw/zinc/73/87/19/985738719.db2.gz IMSCBAIXFNWRHN-KRWDZBQOSA-N 0 1 385.247 3.008 20 0 GGADMN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001599961661 985793752 /nfs/dbraw/zinc/79/37/52/985793752.db2.gz WIQDLUNKRCTHBU-LLVKDONJSA-N 0 1 384.411 3.188 20 0 GGADMN Cc1[nH]c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)cc1C(=O)[O-] ZINC001599961837 985796846 /nfs/dbraw/zinc/79/68/46/985796846.db2.gz JQJJJPCVSGZDLP-GUTXKFCHSA-N 0 1 379.501 3.393 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1C(=O)[O-] ZINC001599962254 985808507 /nfs/dbraw/zinc/80/85/07/985808507.db2.gz FDZYKGBQSZYTTI-QGZVFWFLSA-N 0 1 385.464 3.160 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C1(Sc2ccccc2)CCCC1 ZINC001594513861 985812913 /nfs/dbraw/zinc/81/29/13/985812913.db2.gz QPCSKFGEXXFCAH-MRXNPFEDSA-N 0 1 376.522 3.099 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1(Sc2ccccc2)CCCC1 ZINC001594513861 985812922 /nfs/dbraw/zinc/81/29/22/985812922.db2.gz QPCSKFGEXXFCAH-MRXNPFEDSA-N 0 1 376.522 3.099 20 0 GGADMN Cc1[nH]c(C[N@H+]2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599962780 985824311 /nfs/dbraw/zinc/82/43/11/985824311.db2.gz KWFZZUBIZHSRDD-YOEHRIQHSA-N 0 1 377.485 3.244 20 0 GGADMN Cc1[nH]c(C[N@@H+]2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599962780 985824326 /nfs/dbraw/zinc/82/43/26/985824326.db2.gz KWFZZUBIZHSRDD-YOEHRIQHSA-N 0 1 377.485 3.244 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC001594514719 985851996 /nfs/dbraw/zinc/85/19/96/985851996.db2.gz BKNCMZKTGODRPJ-QXAHSBQVSA-N 0 1 387.524 3.077 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC001594514810 985855206 /nfs/dbraw/zinc/85/52/06/985855206.db2.gz CIKZYIMVVBLISN-HNNXBMFYSA-N 0 1 395.931 3.099 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001594515375 985871290 /nfs/dbraw/zinc/87/12/90/985871290.db2.gz HLUPSCWWFIFYNS-RXVVDRJESA-N 0 1 395.503 3.161 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001594515518 985877390 /nfs/dbraw/zinc/87/73/90/985877390.db2.gz IOSWPMZDSUAMJO-LLVKDONJSA-N 0 1 399.274 3.290 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC001594516685 985910519 /nfs/dbraw/zinc/91/05/19/985910519.db2.gz QTEIRGLFMODNSU-OAHLLOKOSA-N 0 1 380.444 3.136 20 0 GGADMN CCOCCC[N@@H+](C[C@@H](C)C(=O)[O-])C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001596911897 985914929 /nfs/dbraw/zinc/91/49/29/985914929.db2.gz NCXSMWURMCVHKR-SJORKVTESA-N 0 1 386.533 3.083 20 0 GGADMN CCOCCC[N@@H+](C[C@H](C)C(=O)[O-])C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001596912493 985919153 /nfs/dbraw/zinc/91/91/53/985919153.db2.gz SYSXHCAMDXZTRQ-OXJNMPFZSA-N 0 1 386.533 3.083 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)CSc1ccc2c3c(cccc31)CC2 ZINC001594517031 985924822 /nfs/dbraw/zinc/92/48/22/985924822.db2.gz YLURXZLXUSLEPP-HNNXBMFYSA-N 0 1 398.528 3.038 20 0 GGADMN CCOCCC[N@H+](Cc1cc(Br)cnc1Cl)C[C@@H](C)C(=O)[O-] ZINC001596914748 985933642 /nfs/dbraw/zinc/93/36/42/985933642.db2.gz HWDHMGZHMNXWRR-LLVKDONJSA-N 0 1 393.709 3.447 20 0 GGADMN CCOCCC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C[C@@H](C)C(=O)[O-] ZINC001596914964 985935787 /nfs/dbraw/zinc/93/57/87/985935787.db2.gz MRJUHLJXSCDTTD-MRXNPFEDSA-N 0 1 375.465 3.359 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)[C@@H](C)C1 ZINC001596916633 985947863 /nfs/dbraw/zinc/94/78/63/985947863.db2.gz HCAFCOQLDUWMIL-BBRMVZONSA-N 0 1 395.475 3.091 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])[C@@H](C)C1 ZINC001596917061 985953693 /nfs/dbraw/zinc/95/36/93/985953693.db2.gz PHEASIXZIUUSJS-WFASDCNBSA-N 0 1 397.541 3.322 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])[C@H](C)C1 ZINC001596917055 985955259 /nfs/dbraw/zinc/95/52/59/985955259.db2.gz PHEASIXZIUUSJS-DOMZBBRYSA-N 0 1 397.541 3.322 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCc1ccccc1Oc1ccccc1 ZINC001594519518 985957725 /nfs/dbraw/zinc/95/77/25/985957725.db2.gz YAFPDSFZIVFBCJ-QGZVFWFLSA-N 0 1 397.475 3.169 20 0 GGADMN Cc1c(-c2cc(C[N@@H+]3CCCC[C@H]3c3ccc(C(=O)[O-])n3C)on2)cnn1C ZINC001599969605 985980960 /nfs/dbraw/zinc/98/09/60/985980960.db2.gz LOJZQFGODAFHKS-SFHVURJKSA-N 0 1 383.452 3.147 20 0 GGADMN Cc1c(-c2cc(C[N@H+]3CCCC[C@H]3c3ccc(C(=O)[O-])n3C)on2)cnn1C ZINC001599969605 985980972 /nfs/dbraw/zinc/98/09/72/985980972.db2.gz LOJZQFGODAFHKS-SFHVURJKSA-N 0 1 383.452 3.147 20 0 GGADMN CCOCC[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001596924341 986000115 /nfs/dbraw/zinc/00/01/15/986000115.db2.gz TUGGRLDQUBMRPF-HXUWFJFHSA-N 0 1 382.460 3.349 20 0 GGADMN CCOCC[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001596924341 986000122 /nfs/dbraw/zinc/00/01/22/986000122.db2.gz TUGGRLDQUBMRPF-HXUWFJFHSA-N 0 1 382.460 3.349 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC001594522210 986000997 /nfs/dbraw/zinc/00/09/97/986000997.db2.gz NHLOWMCUBMHEJF-CQSZACIVSA-N 0 1 387.867 3.023 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1sccc1-c1ccc(F)cc1 ZINC001594522895 986019075 /nfs/dbraw/zinc/01/90/75/986019075.db2.gz XQSHNKAHJBITQY-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1sccc1-c1ccc(F)cc1 ZINC001594522895 986019089 /nfs/dbraw/zinc/01/90/89/986019089.db2.gz XQSHNKAHJBITQY-CYBMUJFWSA-N 0 1 376.453 3.175 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001589299452 986052767 /nfs/dbraw/zinc/05/27/67/986052767.db2.gz IOMKRAPUJGTXGO-BFUOFWGJSA-N 0 1 394.427 3.248 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001589299460 986053174 /nfs/dbraw/zinc/05/31/74/986053174.db2.gz IOMKRAPUJGTXGO-YJYMSZOUSA-N 0 1 394.427 3.248 20 0 GGADMN CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001589300644 986054609 /nfs/dbraw/zinc/05/46/09/986054609.db2.gz MHHVWCWKDBAJMB-WOJBJXKFSA-N 0 1 380.444 3.018 20 0 GGADMN CCOCCO[C@H]1CC[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001596938885 986066745 /nfs/dbraw/zinc/06/67/45/986066745.db2.gz YVELISSTHUXLMD-KRWDZBQOSA-N 0 1 376.478 3.136 20 0 GGADMN CCOCCO[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001596938885 986066755 /nfs/dbraw/zinc/06/67/55/986066755.db2.gz YVELISSTHUXLMD-KRWDZBQOSA-N 0 1 376.478 3.136 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001589309010 986076362 /nfs/dbraw/zinc/07/63/62/986076362.db2.gz DQWOOQQRBJVEKP-VOBQZIQPSA-N 0 1 380.444 3.016 20 0 GGADMN CCOCN(C(=O)C[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C)c1c(C)cccc1CC ZINC001596945102 986080670 /nfs/dbraw/zinc/08/06/70/986080670.db2.gz FEZRIBXMXATTEU-SJLPKXTDSA-N 0 1 376.497 3.070 20 0 GGADMN C[C@@H]1CN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001594532100 986129102 /nfs/dbraw/zinc/12/91/02/986129102.db2.gz TYXXQMVWMQJFQG-VSRDTVRMSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H]1C[N@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532100 986129106 /nfs/dbraw/zinc/12/91/06/986129106.db2.gz TYXXQMVWMQJFQG-VSRDTVRMSA-N 0 1 380.488 3.370 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001594532100 986129111 /nfs/dbraw/zinc/12/91/11/986129111.db2.gz TYXXQMVWMQJFQG-VSRDTVRMSA-N 0 1 380.488 3.370 20 0 GGADMN Cc1c(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001599978904 986133817 /nfs/dbraw/zinc/13/38/17/986133817.db2.gz OPVPVMTYZQFRIL-HXUWFJFHSA-N 0 1 398.850 3.045 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC[C@H]1C(=O)OC(C)(C)C ZINC001594535217 986146944 /nfs/dbraw/zinc/14/69/44/986146944.db2.gz MFFHYABCEVKHFF-GDBMZVCRSA-N 0 1 376.497 3.322 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001594535226 986147033 /nfs/dbraw/zinc/14/70/33/986147033.db2.gz MFFHYABCEVKHFF-ZBFHGGJFSA-N 0 1 376.497 3.322 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC001594538259 986165152 /nfs/dbraw/zinc/16/51/52/986165152.db2.gz KJZIZNHUKJOTCU-QGWWYQLQSA-N 0 1 375.465 3.096 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC001594538259 986165157 /nfs/dbraw/zinc/16/51/57/986165157.db2.gz KJZIZNHUKJOTCU-QGWWYQLQSA-N 0 1 375.465 3.096 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)O[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC001594538261 986165406 /nfs/dbraw/zinc/16/54/06/986165406.db2.gz KJZIZNHUKJOTCU-WTLGNFPFSA-N 0 1 375.465 3.096 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)O[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC001594538261 986165408 /nfs/dbraw/zinc/16/54/08/986165408.db2.gz KJZIZNHUKJOTCU-WTLGNFPFSA-N 0 1 375.465 3.096 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3ccsc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538807 986168007 /nfs/dbraw/zinc/16/80/07/986168007.db2.gz OIOLHIAWNQXNRW-KBPBESRZSA-N 0 1 389.473 3.413 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCc3ccsc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538809 986168501 /nfs/dbraw/zinc/16/85/01/986168501.db2.gz OIOLHIAWNQXNRW-OKILXGFUSA-N 0 1 389.473 3.413 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCc3ccsc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC001594538809 986168505 /nfs/dbraw/zinc/16/85/05/986168505.db2.gz OIOLHIAWNQXNRW-OKILXGFUSA-N 0 1 389.473 3.413 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3ccsc3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC001594538811 986168697 /nfs/dbraw/zinc/16/86/97/986168697.db2.gz OIOLHIAWNQXNRW-ZIAGYGMSSA-N 0 1 389.473 3.413 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccsc3)cc2)C[C@@H](C)O1 ZINC001594539343 986169240 /nfs/dbraw/zinc/16/92/40/986169240.db2.gz RFNULCYJHWYMQQ-HBUWYVDXSA-N 0 1 389.473 3.340 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594542381 986183727 /nfs/dbraw/zinc/18/37/27/986183727.db2.gz LYBIGXCOTJYJFO-YPGOJHLTSA-N 0 1 395.503 3.070 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594542722 986187996 /nfs/dbraw/zinc/18/79/96/986187996.db2.gz SPCDDWDMVYLGKX-QVDMIQRCSA-N 0 1 384.451 3.410 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001594542754 986189664 /nfs/dbraw/zinc/18/96/64/986189664.db2.gz UBSHKCFGYPZLPT-FXAWDEMLSA-N 0 1 380.488 3.202 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542935 986190878 /nfs/dbraw/zinc/19/08/78/986190878.db2.gz WGTIXAFJYBYKCK-SJCJKPOMSA-N 0 1 389.402 3.305 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542934 986191303 /nfs/dbraw/zinc/19/13/03/986191303.db2.gz WGTIXAFJYBYKCK-PXAZEXFGSA-N 0 1 389.402 3.305 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594542937 986191638 /nfs/dbraw/zinc/19/16/38/986191638.db2.gz WGTIXAFJYBYKCK-YVEFUNNKSA-N 0 1 389.402 3.305 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)c2)C[C@H](C)O1 ZINC001594543101 986193011 /nfs/dbraw/zinc/19/30/11/986193011.db2.gz YKKVSWNYZJJTBQ-LUVVUQNESA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)c2)C[C@H](C)O1 ZINC001594543101 986193017 /nfs/dbraw/zinc/19/30/17/986193017.db2.gz YKKVSWNYZJJTBQ-LUVVUQNESA-N 0 1 384.432 3.239 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C2)O1 ZINC001594543908 986195522 /nfs/dbraw/zinc/19/55/22/986195522.db2.gz CPTRPAKDJYVSJX-OAOOKAIFSA-N 0 1 398.478 3.317 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543821 986196176 /nfs/dbraw/zinc/19/61/76/986196176.db2.gz BQJXAXLODJATCW-GAJHUEQPSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543821 986196179 /nfs/dbraw/zinc/19/61/79/986196179.db2.gz BQJXAXLODJATCW-GAJHUEQPSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3F)C2)O1 ZINC001594543821 986196182 /nfs/dbraw/zinc/19/61/82/986196182.db2.gz BQJXAXLODJATCW-GAJHUEQPSA-N 0 1 398.478 3.389 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3)C2)O1 ZINC001594545458 986209324 /nfs/dbraw/zinc/20/93/24/986209324.db2.gz RYVDOUQQAUTYJJ-AAIMPIBUSA-N 0 1 380.488 3.178 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594545991 986214077 /nfs/dbraw/zinc/21/40/77/986214077.db2.gz XKOSDVJVKXGQIS-JEBQKTDQSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594547059 986220027 /nfs/dbraw/zinc/22/00/27/986220027.db2.gz DVIJAOZPBMAZOS-RYUDHWBXSA-N 0 1 397.306 3.402 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594548413 986238181 /nfs/dbraw/zinc/23/81/81/986238181.db2.gz ULBACGZACXSVJD-HOTGVXAUSA-N 0 1 378.476 3.356 20 0 GGADMN CCO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001596986272 986246165 /nfs/dbraw/zinc/24/61/65/986246165.db2.gz IGMIUDPDZYPHEQ-HNNXBMFYSA-N 0 1 375.421 3.176 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001589349331 986299518 /nfs/dbraw/zinc/29/95/18/986299518.db2.gz GDMATJSWCFLUIY-CJNGLKHVSA-N 0 1 398.425 3.206 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001589350745 986311516 /nfs/dbraw/zinc/31/15/16/986311516.db2.gz UCPZRRZIJYHERF-CXAGYDPISA-N 0 1 396.940 3.218 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001589350746 986311707 /nfs/dbraw/zinc/31/17/07/986311707.db2.gz UCPZRRZIJYHERF-DYVFJYSZSA-N 0 1 396.940 3.218 20 0 GGADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001589350748 986312848 /nfs/dbraw/zinc/31/28/48/986312848.db2.gz UCPZRRZIJYHERF-SUMWQHHRSA-N 0 1 396.940 3.218 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1[C@H]1CCCN(c2ccccc2)C1=O ZINC001594569597 986381035 /nfs/dbraw/zinc/38/10/35/986381035.db2.gz NAEDMCLKMPDLLV-UWJYYQICSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1[C@H]1CCCN(c2ccccc2)C1=O ZINC001594569597 986381042 /nfs/dbraw/zinc/38/10/42/986381042.db2.gz NAEDMCLKMPDLLV-UWJYYQICSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1[C@H]1CCCN(c2ccccc2)C1=O ZINC001594569594 986381444 /nfs/dbraw/zinc/38/14/44/986381444.db2.gz NAEDMCLKMPDLLV-UTKZUKDTSA-N 0 1 393.487 3.091 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1[C@H]1CCCN(c2ccccc2)C1=O ZINC001594569594 986381448 /nfs/dbraw/zinc/38/14/48/986381448.db2.gz NAEDMCLKMPDLLV-UTKZUKDTSA-N 0 1 393.487 3.091 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001597017084 986391484 /nfs/dbraw/zinc/39/14/84/986391484.db2.gz SRQUHDJPJYDHIJ-CQSZACIVSA-N 0 1 375.469 3.122 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC001594570642 986394334 /nfs/dbraw/zinc/39/43/34/986394334.db2.gz SQNMNGXLENIKTP-QRWLVFNGSA-N 0 1 388.895 3.152 20 0 GGADMN CC(C)N(C(=O)C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)C1CCCC1 ZINC001594570997 986401403 /nfs/dbraw/zinc/40/14/03/986401403.db2.gz WQTWFBQPLOHWFF-KRWDZBQOSA-N 0 1 387.524 3.075 20 0 GGADMN CC(C)N(C(=O)C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)C1CCCC1 ZINC001594570997 986401410 /nfs/dbraw/zinc/40/14/10/986401410.db2.gz WQTWFBQPLOHWFF-KRWDZBQOSA-N 0 1 387.524 3.075 20 0 GGADMN CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001597020584 986403048 /nfs/dbraw/zinc/40/30/48/986403048.db2.gz GGOXKFMCLKCCFE-KRWDZBQOSA-N 0 1 383.448 3.180 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001594571145 986404773 /nfs/dbraw/zinc/40/47/73/986404773.db2.gz ZUPMXLOYZHUBSI-IRXDYDNUSA-N 0 1 387.524 3.075 20 0 GGADMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001594571145 986404780 /nfs/dbraw/zinc/40/47/80/986404780.db2.gz ZUPMXLOYZHUBSI-IRXDYDNUSA-N 0 1 387.524 3.075 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373507 986422675 /nfs/dbraw/zinc/42/26/75/986422675.db2.gz DTTGGFLEOXROEX-BFJAYTPKSA-N 0 1 398.425 3.328 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589373507 986422681 /nfs/dbraw/zinc/42/26/81/986422681.db2.gz DTTGGFLEOXROEX-BFJAYTPKSA-N 0 1 398.425 3.328 20 0 GGADMN CCOc1ccc(-c2cn(C3C[NH+](Cc4ccc(C(=O)[O-])c(C)c4)C3)nn2)cc1 ZINC001597048878 986513745 /nfs/dbraw/zinc/51/37/45/986513745.db2.gz LZTFRMZVOIVBKG-UHFFFAOYSA-N 0 1 392.459 3.407 20 0 GGADMN CCOc1ccc([C@H](O)C2CC[NH+](Cc3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001597073844 986595857 /nfs/dbraw/zinc/59/58/57/986595857.db2.gz CSXDKMKOWSIWBH-SFHVURJKSA-N 0 1 376.478 3.186 20 0 GGADMN C[C@@H]1CSCC[N@@H+](Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001594613751 986622934 /nfs/dbraw/zinc/62/29/34/986622934.db2.gz RVZOADFXTXGTCY-JTQLQIEISA-N 0 1 384.299 3.139 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589424125 986687443 /nfs/dbraw/zinc/68/74/43/986687443.db2.gz YPESLKFXWSCJGS-FMKPAKJESA-N 0 1 387.505 3.287 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589424125 986687447 /nfs/dbraw/zinc/68/74/47/986687447.db2.gz YPESLKFXWSCJGS-FMKPAKJESA-N 0 1 387.505 3.287 20 0 GGADMN C[C@H]1[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCC12CCOCC2 ZINC001594627932 986701347 /nfs/dbraw/zinc/70/13/47/986701347.db2.gz XQEUTPIAZPUPBC-CYBMUJFWSA-N 0 1 392.521 3.155 20 0 GGADMN CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1OC ZINC001597101341 986716890 /nfs/dbraw/zinc/71/68/90/986716890.db2.gz ZFMVIIMDMRJQBX-AWEZNQCLSA-N 0 1 388.464 3.440 20 0 GGADMN CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1OC ZINC001597101341 986716895 /nfs/dbraw/zinc/71/68/95/986716895.db2.gz ZFMVIIMDMRJQBX-AWEZNQCLSA-N 0 1 388.464 3.440 20 0 GGADMN CCOc1ccc(C[NH+]2CCN(Cc3cc(C(=O)[O-])c4n3CCCC4)CC2)cc1 ZINC001597102100 986725658 /nfs/dbraw/zinc/72/56/58/986725658.db2.gz NRDLIEKPDGIQCJ-UHFFFAOYSA-N 0 1 397.519 3.239 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589431913 986736528 /nfs/dbraw/zinc/73/65/28/986736528.db2.gz SCQWBWOAMDGKPR-CQSZACIVSA-N 0 1 378.432 3.234 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589431913 986736530 /nfs/dbraw/zinc/73/65/30/986736530.db2.gz SCQWBWOAMDGKPR-CQSZACIVSA-N 0 1 378.432 3.234 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001589436353 986751947 /nfs/dbraw/zinc/75/19/47/986751947.db2.gz VVPOQIXPFMSAKW-AXFHLTTASA-N 0 1 378.778 3.252 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001589436353 986751957 /nfs/dbraw/zinc/75/19/57/986751957.db2.gz VVPOQIXPFMSAKW-AXFHLTTASA-N 0 1 378.778 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589437293 986754833 /nfs/dbraw/zinc/75/48/33/986754833.db2.gz AMRFBSKFWHVVDP-MRXNPFEDSA-N 0 1 393.487 3.370 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589437293 986754843 /nfs/dbraw/zinc/75/48/43/986754843.db2.gz AMRFBSKFWHVVDP-MRXNPFEDSA-N 0 1 393.487 3.370 20 0 GGADMN CCOc1ccc(NC(=O)CC[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001597111051 986760588 /nfs/dbraw/zinc/76/05/88/986760588.db2.gz CZWBNWFPTPRERD-UHFFFAOYSA-N 0 1 386.423 3.310 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589438114 986761058 /nfs/dbraw/zinc/76/10/58/986761058.db2.gz KCACZVIGAODPOB-VXGBXAGGSA-N 0 1 398.406 3.158 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001589438111 986761109 /nfs/dbraw/zinc/76/11/09/986761109.db2.gz KCACZVIGAODPOB-NWDGAFQWSA-N 0 1 398.406 3.158 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589439009 986769061 /nfs/dbraw/zinc/76/90/61/986769061.db2.gz RPNPXUWUFWHLIW-GSHUGGBRSA-N 0 1 385.508 3.191 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440456 986786524 /nfs/dbraw/zinc/78/65/24/986786524.db2.gz XWLXGALOZTVROY-GHMZBOCLSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589440456 986786532 /nfs/dbraw/zinc/78/65/32/986786532.db2.gz XWLXGALOZTVROY-GHMZBOCLSA-N 0 1 379.869 3.311 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001589440554 986788143 /nfs/dbraw/zinc/78/81/43/986788143.db2.gz YPUDRLSRVPSAHR-IIDMSEBBSA-N 0 1 399.516 3.496 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC001589443812 986790194 /nfs/dbraw/zinc/79/01/94/986790194.db2.gz BPYLZFOVBZXDOR-MWTRTKDXSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC001589443812 986790202 /nfs/dbraw/zinc/79/02/02/986790202.db2.gz BPYLZFOVBZXDOR-MWTRTKDXSA-N 0 1 394.471 3.431 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589444171 986796011 /nfs/dbraw/zinc/79/60/11/986796011.db2.gz FTRQEQOQXCDYNC-LKFCYVNXSA-N 0 1 398.303 3.371 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589444171 986796022 /nfs/dbraw/zinc/79/60/22/986796022.db2.gz FTRQEQOQXCDYNC-LKFCYVNXSA-N 0 1 398.303 3.371 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589444254 986797677 /nfs/dbraw/zinc/79/76/77/986797677.db2.gz JORXSTJBKOFGCO-YWPYICTPSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589444254 986797689 /nfs/dbraw/zinc/79/76/89/986797689.db2.gz JORXSTJBKOFGCO-YWPYICTPSA-N 0 1 391.468 3.319 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445794 986815605 /nfs/dbraw/zinc/81/56/05/986815605.db2.gz WVEIGCJYZAKYCG-HJPURHCSSA-N 0 1 389.455 3.290 20 0 GGADMN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589445796 986816368 /nfs/dbraw/zinc/81/63/68/986816368.db2.gz WVEIGCJYZAKYCG-QMHKHESXSA-N 0 1 389.455 3.290 20 0 GGADMN C[C@@H]1c2ccsc2CC[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001594670845 986981091 /nfs/dbraw/zinc/98/10/91/986981091.db2.gz HZJGAPFHUDQSRH-BFUOFWGJSA-N 0 1 397.500 3.402 20 0 GGADMN C[C@@H]1c2ccsc2CC[N@@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001594670845 986981097 /nfs/dbraw/zinc/98/10/97/986981097.db2.gz HZJGAPFHUDQSRH-BFUOFWGJSA-N 0 1 397.500 3.402 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597172503 987003927 /nfs/dbraw/zinc/00/39/27/987003927.db2.gz FQPMFUUTUXDHDU-SJLPKXTDSA-N 0 1 390.524 3.475 20 0 GGADMN CCOc1ccccc1CN1CC[N@@H+](Cc2ccccc2CC(=O)[O-])[C@H](C)C1 ZINC001597173015 987009916 /nfs/dbraw/zinc/00/99/16/987009916.db2.gz WDTQVOIOTIDYKA-GOSISDBHSA-N 0 1 382.504 3.419 20 0 GGADMN CCOc1ccccc1C[N@@H+]1CCN(Cc2ccccc2CC(=O)[O-])[C@H](C)C1 ZINC001597173015 987009938 /nfs/dbraw/zinc/00/99/38/987009938.db2.gz WDTQVOIOTIDYKA-GOSISDBHSA-N 0 1 382.504 3.419 20 0 GGADMN CCOc1ccccc1C[N@H+]1CCN(Cc2ccccc2CC(=O)[O-])[C@H](C)C1 ZINC001597173015 987009950 /nfs/dbraw/zinc/00/99/50/987009950.db2.gz WDTQVOIOTIDYKA-GOSISDBHSA-N 0 1 382.504 3.419 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001597173027 987011433 /nfs/dbraw/zinc/01/14/33/987011433.db2.gz MBVQRMYSSLNIIG-KYHPRHEASA-N 0 1 376.497 3.226 20 0 GGADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001597173025 987012033 /nfs/dbraw/zinc/01/20/33/987012033.db2.gz MBVQRMYSSLNIIG-DFGXFYAUSA-N 0 1 376.497 3.226 20 0 GGADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480055 987014695 /nfs/dbraw/zinc/01/46/95/987014695.db2.gz XHKXPBGUVHLOFC-BFUOFWGJSA-N 0 1 390.480 3.420 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCC1 ZINC001589480055 987014702 /nfs/dbraw/zinc/01/47/02/987014702.db2.gz XHKXPBGUVHLOFC-BFUOFWGJSA-N 0 1 390.480 3.420 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001597179162 987033296 /nfs/dbraw/zinc/03/32/96/987033296.db2.gz HPXGCTVFTZNJAD-UHFFFAOYSA-N 0 1 386.423 3.310 20 0 GGADMN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCC1 ZINC001589486844 987036834 /nfs/dbraw/zinc/03/68/34/987036834.db2.gz VNGNXTWFPGBKPB-AWEZNQCLSA-N 0 1 388.464 3.384 20 0 GGADMN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCC1 ZINC001589486844 987036843 /nfs/dbraw/zinc/03/68/43/987036843.db2.gz VNGNXTWFPGBKPB-AWEZNQCLSA-N 0 1 388.464 3.384 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001597179829 987039791 /nfs/dbraw/zinc/03/97/91/987039791.db2.gz SQIZYUYAZFJVOK-HXUWFJFHSA-N 0 1 386.448 3.180 20 0 GGADMN CCOc1ccccc1NC(=O)CC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001597179826 987040558 /nfs/dbraw/zinc/04/05/58/987040558.db2.gz SQIZYUYAZFJVOK-FQEVSTJZSA-N 0 1 386.448 3.180 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504511 987114356 /nfs/dbraw/zinc/11/43/56/987114356.db2.gz MLNYINLRLANILR-UZLBHIALSA-N 0 1 382.460 3.104 20 0 GGADMN C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001589504511 987114360 /nfs/dbraw/zinc/11/43/60/987114360.db2.gz MLNYINLRLANILR-UZLBHIALSA-N 0 1 382.460 3.104 20 0 GGADMN CCS(=O)(=O)CCCCC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001597209777 987125749 /nfs/dbraw/zinc/12/57/49/987125749.db2.gz JIQGEGBKXYPPOK-DLBZAZTESA-N 0 1 387.929 3.045 20 0 GGADMN CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594725093 987226168 /nfs/dbraw/zinc/22/61/68/987226168.db2.gz KZFDFCNXUXRMOY-NFBKMPQASA-N 0 1 380.488 3.465 20 0 GGADMN CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594725095 987226203 /nfs/dbraw/zinc/22/62/03/987226203.db2.gz KZFDFCNXUXRMOY-OFNKIYASSA-N 0 1 380.488 3.465 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001594735913 987272174 /nfs/dbraw/zinc/27/21/74/987272174.db2.gz QTWNPMPSHKYTRH-XUVXKRRUSA-N 0 1 382.460 3.218 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001589611013 987460444 /nfs/dbraw/zinc/46/04/44/987460444.db2.gz YRPVEVXMKZWGDL-FUHWJXTLSA-N 0 1 379.545 3.316 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC001589612236 987472315 /nfs/dbraw/zinc/47/23/15/987472315.db2.gz UKIKTXRVNUPJJM-LBPRGKRZSA-N 0 1 392.406 3.168 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616198 987476235 /nfs/dbraw/zinc/47/62/35/987476235.db2.gz MYAKGVYUEAYFEU-ZIAGYGMSSA-N 0 1 398.425 3.200 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC001589616196 987476335 /nfs/dbraw/zinc/47/63/35/987476335.db2.gz MYAKGVYUEAYFEU-KGLIPLIRSA-N 0 1 398.425 3.200 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c(C)c1C(=O)[O-] ZINC001597366588 987537810 /nfs/dbraw/zinc/53/78/10/987537810.db2.gz GYTTVUYVXNRXJM-QGZVFWFLSA-N 0 1 395.459 3.438 20 0 GGADMN CCc1[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c(C)c1C(=O)[O-] ZINC001597367932 987545567 /nfs/dbraw/zinc/54/55/67/987545567.db2.gz DYJZNSZPMQCOFA-INIZCTEOSA-N 0 1 375.513 3.358 20 0 GGADMN CCc1[nH]c(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)cc1C(=O)[O-] ZINC001597383274 987582699 /nfs/dbraw/zinc/58/26/99/987582699.db2.gz CZOYOZKPUAKVEN-UHFFFAOYSA-N 0 1 388.464 3.336 20 0 GGADMN CCc1[nH]c(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1C(=O)[O-] ZINC001597383483 987583489 /nfs/dbraw/zinc/58/34/89/987583489.db2.gz FIEQJTPYIYMHIW-UHFFFAOYSA-N 0 1 377.485 3.108 20 0 GGADMN CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001589687098 987737878 /nfs/dbraw/zinc/73/78/78/987737878.db2.gz PWANYZIVRMBOAX-HNNXBMFYSA-N 0 1 393.553 3.305 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001589687131 987738663 /nfs/dbraw/zinc/73/86/63/987738663.db2.gz RPTCICNBAUQRIF-CQSZACIVSA-N 0 1 376.472 3.167 20 0 GGADMN CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001589687130 987738732 /nfs/dbraw/zinc/73/87/32/987738732.db2.gz RPTCICNBAUQRIF-AWEZNQCLSA-N 0 1 376.472 3.167 20 0 GGADMN CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001589703471 987806729 /nfs/dbraw/zinc/80/67/29/987806729.db2.gz YOEVGLQACRCMFH-MRXNPFEDSA-N 0 1 379.526 3.246 20 0 GGADMN CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001597452685 987850807 /nfs/dbraw/zinc/85/08/07/987850807.db2.gz HKMVVSIACCWWJF-IIDMSEBBSA-N 0 1 389.496 3.053 20 0 GGADMN CC(C)(C)[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC001589716426 987858376 /nfs/dbraw/zinc/85/83/76/987858376.db2.gz FGJCTAIGNODYAH-CXAGYDPISA-N 0 1 389.477 3.108 20 0 GGADMN CS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001599787358 987945774 /nfs/dbraw/zinc/94/57/74/987945774.db2.gz CKUJPAASWDZEBF-RYUDHWBXSA-N 0 1 382.551 3.480 20 0 GGADMN CCc1cc2c(C[N@H+]3Cc4ccccc4C[C@@H]3C(=O)[O-])cc(=O)oc2cc1O ZINC001597488834 988002326 /nfs/dbraw/zinc/00/23/26/988002326.db2.gz OYAHIHYAOCDXFH-GOSISDBHSA-N 0 1 379.412 3.073 20 0 GGADMN CCc1cc2c(C[N@H+]3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)cc(=O)oc2cc1O ZINC001597489033 988005572 /nfs/dbraw/zinc/00/55/72/988005572.db2.gz VBUAUKALTRGFOY-RTBURBONSA-N 0 1 393.439 3.361 20 0 GGADMN CS[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCCC1 ZINC001599791374 988014081 /nfs/dbraw/zinc/01/40/81/988014081.db2.gz TVMDKFDTVSVGHH-XHSDSOJGSA-N 0 1 388.455 3.343 20 0 GGADMN CS[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001599791374 988014093 /nfs/dbraw/zinc/01/40/93/988014093.db2.gz TVMDKFDTVSVGHH-XHSDSOJGSA-N 0 1 388.455 3.343 20 0 GGADMN CS[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@H]1N1CCCC1 ZINC001599791370 988015021 /nfs/dbraw/zinc/01/50/21/988015021.db2.gz TVMDKFDTVSVGHH-BZUAXINKSA-N 0 1 388.455 3.343 20 0 GGADMN CS[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC001599791370 988015031 /nfs/dbraw/zinc/01/50/31/988015031.db2.gz TVMDKFDTVSVGHH-BZUAXINKSA-N 0 1 388.455 3.343 20 0 GGADMN CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cs2)cc1 ZINC001597492393 988028847 /nfs/dbraw/zinc/02/88/47/988028847.db2.gz OOKBXWZLTKNBJM-MRXNPFEDSA-N 0 1 383.477 3.109 20 0 GGADMN CCc1ccc(-c2nc(C[N@H+]3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cs2)cc1 ZINC001597492393 988028863 /nfs/dbraw/zinc/02/88/63/988028863.db2.gz OOKBXWZLTKNBJM-MRXNPFEDSA-N 0 1 383.477 3.109 20 0 GGADMN CC(C)(C)CC[C@H](C[N@H+]1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)NC(=O)OC(C)(C)C ZINC001589764784 988108191 /nfs/dbraw/zinc/10/81/91/988108191.db2.gz XEALHXIQCWUWGG-JLTOFOAXSA-N 0 1 397.516 3.011 20 0 GGADMN CCc1ccc([C@@H](NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)C(C)C)cc1 ZINC001597514004 988117374 /nfs/dbraw/zinc/11/73/74/988117374.db2.gz GILOHIZQKKHPIL-UZLBHIALSA-N 0 1 375.513 3.137 20 0 GGADMN CCc1ccc([C@@H](NC(=O)C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC001597514614 988122205 /nfs/dbraw/zinc/12/22/05/988122205.db2.gz QSBBTILCABYRNN-WIBUTAKZSA-N 0 1 386.517 3.169 20 0 GGADMN CC(C)(C)C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1ccccc1 ZINC001589780309 988150790 /nfs/dbraw/zinc/15/07/90/988150790.db2.gz YPKNTIHMZHGBSX-UHFFFAOYSA-N 0 1 375.494 3.257 20 0 GGADMN CCc1ccc(C[NH+]2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)s1 ZINC001597527918 988177986 /nfs/dbraw/zinc/17/79/86/988177986.db2.gz SHMFADGLQJAMFD-INIZCTEOSA-N 0 1 388.533 3.480 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001589795972 988191691 /nfs/dbraw/zinc/19/16/91/988191691.db2.gz JYACBIJLLPDVLJ-KKSFZXQISA-N 0 1 376.472 3.140 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001589796268 988193971 /nfs/dbraw/zinc/19/39/71/988193971.db2.gz ORVQFMUFWUMORU-KVSKMBFKSA-N 0 1 376.472 3.138 20 0 GGADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001589796270 988194010 /nfs/dbraw/zinc/19/40/10/988194010.db2.gz ORVQFMUFWUMORU-VDZJLULYSA-N 0 1 376.472 3.138 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)C1 ZINC001589805891 988224638 /nfs/dbraw/zinc/22/46/38/988224638.db2.gz JHMNFKFGTRGSTI-LBPRGKRZSA-N 0 1 385.411 3.023 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001589806145 988227524 /nfs/dbraw/zinc/22/75/24/988227524.db2.gz LQXNQOJLSXLYOC-HXUWFJFHSA-N 0 1 376.428 3.002 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806785 988234237 /nfs/dbraw/zinc/23/42/37/988234237.db2.gz UOWQXSYGYNQPBL-HRAATJIYSA-N 0 1 376.472 3.133 20 0 GGADMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589806788 988235243 /nfs/dbraw/zinc/23/52/43/988235243.db2.gz UOWQXSYGYNQPBL-KKSFZXQISA-N 0 1 376.472 3.133 20 0 GGADMN CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001597543266 988240155 /nfs/dbraw/zinc/24/01/55/988240155.db2.gz YYPNYNOYKXVOBK-VOBQZIQPSA-N 0 1 382.460 3.082 20 0 GGADMN CC(C)(C)[N@H+]1CCc2nc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)sc2C1 ZINC001589824350 988286073 /nfs/dbraw/zinc/28/60/73/988286073.db2.gz AKEIQVHSNWULTG-UHFFFAOYSA-N 0 1 377.510 3.273 20 0 GGADMN CCc1ccc2c(C[N@H+]3CC[C@H](C(=O)[O-])C[C@@H]3[C@@H]3CCCO3)cc(=O)oc2c1 ZINC001597563767 988319260 /nfs/dbraw/zinc/31/92/60/988319260.db2.gz VUJGLRAIKJDLAK-IPELMVKDSA-N 0 1 385.460 3.200 20 0 GGADMN CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)cc1 ZINC001599811088 988336707 /nfs/dbraw/zinc/33/67/07/988336707.db2.gz ODZDYFPTQXBQIL-GOSISDBHSA-N 0 1 396.472 3.243 20 0 GGADMN CSc1ccc(C[N@H+]2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)[O-])C2)o1 ZINC001599812745 988365712 /nfs/dbraw/zinc/36/57/12/988365712.db2.gz CJPORWSBYJXAKD-QHRIQVFBSA-N 0 1 396.509 3.191 20 0 GGADMN CSc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC001599813047 988370686 /nfs/dbraw/zinc/37/06/86/988370686.db2.gz JQMHOILTPGWTSN-MRXNPFEDSA-N 0 1 380.510 3.305 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C(=O)[O-])o2)C1 ZINC001589859996 988422254 /nfs/dbraw/zinc/42/22/54/988422254.db2.gz CRPCSAGDMVVDBP-DOTOQJQBSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(C[N@H+]3CCCC[C@@H]3C(=O)[O-])o2)C1 ZINC001589859996 988422264 /nfs/dbraw/zinc/42/22/64/988422264.db2.gz CRPCSAGDMVVDBP-DOTOQJQBSA-N 0 1 392.496 3.277 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816562 988436384 /nfs/dbraw/zinc/43/63/84/988436384.db2.gz ZKMPUBTWVVORHI-BMIGLBTASA-N 0 1 376.400 3.075 20 0 GGADMN CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC001599816562 988436390 /nfs/dbraw/zinc/43/63/90/988436390.db2.gz ZKMPUBTWVVORHI-BMIGLBTASA-N 0 1 376.400 3.075 20 0 GGADMN CSc1ccc(NC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cc1C(=O)[O-] ZINC001599816673 988438206 /nfs/dbraw/zinc/43/82/06/988438206.db2.gz KVHZSOGKUKXZBL-BGYRXZFFSA-N 0 1 389.521 3.446 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC12CC(C(=O)[O-])C2 ZINC001589865425 988455872 /nfs/dbraw/zinc/45/58/72/988455872.db2.gz AGRLZQVCRYDETH-FMPZLKCCSA-N 0 1 381.513 3.089 20 0 GGADMN CSc1ccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1C(=O)[O-] ZINC001599817810 988457409 /nfs/dbraw/zinc/45/74/09/988457409.db2.gz WMXWPOYVGVZTKW-UHFFFAOYSA-N 0 1 385.489 3.455 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2CF)CC12CC(C(=O)[O-])C2 ZINC001589865485 988457575 /nfs/dbraw/zinc/45/75/75/988457575.db2.gz BZCMCTYAGVXAHB-BQIYRTECSA-N 0 1 377.456 3.411 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC12CC(C(=O)[O-])C2 ZINC001589867052 988480601 /nfs/dbraw/zinc/48/06/01/988480601.db2.gz SQDDHMNWMLXRAE-JQHMZKTJSA-N 0 1 384.476 3.422 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2CCc3ccccc32)CC12CC(C(=O)[O-])C2 ZINC001589867457 988488970 /nfs/dbraw/zinc/48/89/70/988488970.db2.gz XDOIJNZUWYBILV-VSMGACMFSA-N 0 1 385.504 3.471 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC12CC(C(=O)[O-])C2 ZINC001589867661 988491943 /nfs/dbraw/zinc/49/19/43/988491943.db2.gz ZJSKTNKDHXFMQB-FUJOCQAZSA-N 0 1 385.451 3.032 20 0 GGADMN CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589871426 988493134 /nfs/dbraw/zinc/49/31/34/988493134.db2.gz AUDFLJWPSFIOMI-QGZVFWFLSA-N 0 1 390.480 3.300 20 0 GGADMN CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589871426 988493142 /nfs/dbraw/zinc/49/31/42/988493142.db2.gz AUDFLJWPSFIOMI-QGZVFWFLSA-N 0 1 390.480 3.300 20 0 GGADMN CCc1ccccc1CC[N@H+]1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001597609585 988497851 /nfs/dbraw/zinc/49/78/51/988497851.db2.gz RWYMHQANMPMYOW-GOSISDBHSA-N 0 1 388.508 3.045 20 0 GGADMN CC(C)(C)OC(=O)CCC[N@@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001589873797 988522817 /nfs/dbraw/zinc/52/28/17/988522817.db2.gz BYBCDKVNFFKMAC-HNNXBMFYSA-N 0 1 398.297 3.382 20 0 GGADMN CC(C)(C)OC(=O)CCC[N@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001589873797 988522825 /nfs/dbraw/zinc/52/28/25/988522825.db2.gz BYBCDKVNFFKMAC-HNNXBMFYSA-N 0 1 398.297 3.382 20 0 GGADMN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])CC1(O)CCC(c2ccccc2)CC1 ZINC001589882699 988557662 /nfs/dbraw/zinc/55/76/62/988557662.db2.gz HKXIHQNWLWIETQ-UHFFFAOYSA-N 0 1 391.508 3.194 20 0 GGADMN CSc1ccccc1C[N@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001599824109 988566583 /nfs/dbraw/zinc/56/65/83/988566583.db2.gz RDZNWIYUVQZLSP-AWEZNQCLSA-N 0 1 376.503 3.406 20 0 GGADMN CSc1ccccc1C[N@@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001599824109 988566592 /nfs/dbraw/zinc/56/65/92/988566592.db2.gz RDZNWIYUVQZLSP-AWEZNQCLSA-N 0 1 376.503 3.406 20 0 GGADMN CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001599825025 988583098 /nfs/dbraw/zinc/58/30/98/988583098.db2.gz CWROSSRCWTXRAT-ZDUSSCGKSA-N 0 1 396.534 3.214 20 0 GGADMN CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001599825025 988583106 /nfs/dbraw/zinc/58/31/06/988583106.db2.gz CWROSSRCWTXRAT-ZDUSSCGKSA-N 0 1 396.534 3.214 20 0 GGADMN CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001599825153 988585539 /nfs/dbraw/zinc/58/55/39/988585539.db2.gz JYSTZVSLGPBBJY-VFNWGFHPSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001599825154 988585878 /nfs/dbraw/zinc/58/58/78/988585878.db2.gz JYSTZVSLGPBBJY-YCRPNKLZSA-N 0 1 384.501 3.464 20 0 GGADMN CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C(C)C ZINC001599825396 988590521 /nfs/dbraw/zinc/59/05/21/988590521.db2.gz WKHKJCYMBWZGFK-HNNXBMFYSA-N 0 1 378.494 3.085 20 0 GGADMN C[C@@H](CC(=O)[O-])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001599833880 988714202 /nfs/dbraw/zinc/71/42/02/988714202.db2.gz ICGLTHZKMBNBIU-XTQVGHSUSA-N 0 1 380.488 3.056 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+]([C@@H]1CCCc3ccccc31)C[C@@H]2C(=O)[O-] ZINC001589941470 988721931 /nfs/dbraw/zinc/72/19/31/988721931.db2.gz JKVAONIYJZVPBR-QZTJIDSGSA-N 0 1 386.492 3.318 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@H+]([C@@H]1CCCc3ccccc31)C[C@H]2C(=O)[O-] ZINC001589941472 988722091 /nfs/dbraw/zinc/72/20/91/988722091.db2.gz JKVAONIYJZVPBR-ZWKOTPCHSA-N 0 1 386.492 3.318 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@@H]2C(=O)[O-] ZINC001589947006 988735365 /nfs/dbraw/zinc/73/53/65/988735365.db2.gz DHFZZPXZTHUDMT-ZIAGYGMSSA-N 0 1 388.455 3.065 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc(C3CC3)cc1)C[C@H]2C(=O)[O-] ZINC001589953060 988749103 /nfs/dbraw/zinc/74/91/03/988749103.db2.gz CMMIFPOYXMWDMY-SFHVURJKSA-N 0 1 386.492 3.318 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc3occc3c1)C[C@@H]2C(=O)[O-] ZINC001589953259 988750202 /nfs/dbraw/zinc/75/02/02/988750202.db2.gz DFAGDSQEPNWSGC-MRXNPFEDSA-N 0 1 386.448 3.186 20 0 GGADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]2C(=O)[O-] ZINC001589953670 988751775 /nfs/dbraw/zinc/75/17/75/988751775.db2.gz GNCBDOSXMZBIRQ-HNNXBMFYSA-N 0 1 380.872 3.094 20 0 GGADMN CCc1nc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)sc1C(=O)[O-] ZINC001597676667 988792058 /nfs/dbraw/zinc/79/20/58/988792058.db2.gz ZMXXRRJIQPCSCX-OAHLLOKOSA-N 0 1 387.505 3.297 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001589972023 988806746 /nfs/dbraw/zinc/80/67/46/988806746.db2.gz OPIYMALPNMANLI-IAGOWNOFSA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972079 988808674 /nfs/dbraw/zinc/80/86/74/988808674.db2.gz QTQDVCFQVXIGBX-RHSMWYFYSA-N 0 1 377.485 3.324 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001589972078 988808950 /nfs/dbraw/zinc/80/89/50/988808950.db2.gz QTQDVCFQVXIGBX-PBHICJAKSA-N 0 1 377.485 3.324 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972208 988811437 /nfs/dbraw/zinc/81/14/37/988811437.db2.gz XCPVDILKZJQYKT-JKSUJKDBSA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972205 988811474 /nfs/dbraw/zinc/81/14/74/988811474.db2.gz XCPVDILKZJQYKT-CVEARBPZSA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])n3)C2)C1 ZINC001589972207 988811911 /nfs/dbraw/zinc/81/19/11/988811911.db2.gz XCPVDILKZJQYKT-HZPDHXFCSA-N 0 1 389.496 3.249 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](Cc3nc(C(=O)[O-])cs3)C2)C1 ZINC001589972292 988813265 /nfs/dbraw/zinc/81/32/65/988813265.db2.gz ZIAPZUDJRWOJEK-UONOGXRCSA-N 0 1 395.525 3.310 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(C(=O)[O-])cs2)C1 ZINC001589972288 988813350 /nfs/dbraw/zinc/81/33/50/988813350.db2.gz ZHBBKPQFJPOPHY-UKRRQHHQSA-N 0 1 395.525 3.453 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)CC1 ZINC001589973447 988816578 /nfs/dbraw/zinc/81/65/78/988816578.db2.gz DTLQJJQVTRHRPI-UHFFFAOYSA-N 0 1 390.480 3.226 20 0 GGADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(C(=O)[O-])cn2)C2CC2)CC1 ZINC001589981391 988853416 /nfs/dbraw/zinc/85/34/16/988853416.db2.gz BYDCMERXFAMTOK-UHFFFAOYSA-N 0 1 375.469 3.144 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001589996256 988917087 /nfs/dbraw/zinc/91/70/87/988917087.db2.gz WTUGZQGIGOOKFH-UHFFFAOYSA-N 0 1 390.480 3.239 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](Cc1csc(C(=O)[O-])c1)CCO2 ZINC001589995807 988917272 /nfs/dbraw/zinc/91/72/72/988917272.db2.gz VNYTXMRQHBVYIA-UHFFFAOYSA-N 0 1 396.509 3.048 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](Cc1csc(C(=O)[O-])c1)CCO2 ZINC001589995807 988917284 /nfs/dbraw/zinc/91/72/84/988917284.db2.gz VNYTXMRQHBVYIA-UHFFFAOYSA-N 0 1 396.509 3.048 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](Cc1ncc(C(=O)[O-])s1)C2 ZINC001590002934 988924117 /nfs/dbraw/zinc/92/41/17/988924117.db2.gz GTDFHTMIPUGELQ-IBGZPJMESA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1ncc(C(=O)[O-])s1)C2 ZINC001590002934 988924120 /nfs/dbraw/zinc/92/41/20/988924120.db2.gz GTDFHTMIPUGELQ-IBGZPJMESA-N 0 1 395.525 3.454 20 0 GGADMN CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C(=O)[O-])cn3)C2)CC1 ZINC001590003127 988927197 /nfs/dbraw/zinc/92/71/97/988927197.db2.gz ICAJGWMJIGZQTR-UHFFFAOYSA-N 0 1 389.496 3.393 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3F)CC[C@@H]21 ZINC001590003596 988933258 /nfs/dbraw/zinc/93/32/58/988933258.db2.gz FPELWIJMCARUQD-RDJZCZTQSA-N 0 1 378.444 3.355 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004177 988939943 /nfs/dbraw/zinc/93/99/43/988939943.db2.gz ITHKZEFMGYZWPO-IAGOWNOFSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc(C(=O)[O-])cc1F ZINC001590004177 988939958 /nfs/dbraw/zinc/93/99/58/988939958.db2.gz ITHKZEFMGYZWPO-IAGOWNOFSA-N 0 1 378.444 3.498 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2CCOc2ccccc2C(=O)[O-])C1 ZINC001590006037 988957251 /nfs/dbraw/zinc/95/72/51/988957251.db2.gz ZMSVZNKHZYNYPH-OAQYLSRUSA-N 0 1 390.480 3.239 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](Cc3oncc3C(=O)[O-])C2)C1 ZINC001590011292 988963038 /nfs/dbraw/zinc/96/30/38/988963038.db2.gz CHLXSZQHHSIPSG-LSDHHAIUSA-N 0 1 393.484 3.232 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])no2)C1 ZINC001590013698 988977382 /nfs/dbraw/zinc/97/73/82/988977382.db2.gz WRMQEXLDUPANBL-WMLDXEAASA-N 0 1 393.484 3.374 20 0 GGADMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001599849374 988987494 /nfs/dbraw/zinc/98/74/94/988987494.db2.gz PNZZNTOTOOJHMW-ZWNOBZJWSA-N 0 1 384.263 3.223 20 0 GGADMN CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3[nH]cc(C(=O)[O-])c3C3CC3)C2)C1 ZINC001590024527 989011722 /nfs/dbraw/zinc/01/17/22/989011722.db2.gz AXWBHDHNMIKENG-UHFFFAOYSA-N 0 1 389.496 3.423 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cncc(C(=O)[O-])c3)C2)C1 ZINC001590025837 989020524 /nfs/dbraw/zinc/02/05/24/989020524.db2.gz MDFVDKCICQMKGT-FQEVSTJZSA-N 0 1 375.469 3.003 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)[C@H](C(=O)[O-])C1 ZINC001590034377 989043899 /nfs/dbraw/zinc/04/38/99/989043899.db2.gz DQSWVPBGOKBQST-KBPBESRZSA-N 0 1 376.444 3.208 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC001590034687 989048669 /nfs/dbraw/zinc/04/86/69/989048669.db2.gz JOVYNTZZFGICND-JXMROGBWSA-N 0 1 390.480 3.106 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C/c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC001590035035 989055582 /nfs/dbraw/zinc/05/55/82/989055582.db2.gz PILIAPNFZHUJPX-JZLODUJNSA-N 0 1 378.444 3.235 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](C/C=C\c2cccc(F)c2)[C@@H](C(=O)[O-])C1 ZINC001590035034 989055898 /nfs/dbraw/zinc/05/58/98/989055898.db2.gz PILIAPNFZHUJPX-CTEOGUNLSA-N 0 1 378.444 3.235 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCSCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001590035501 989058568 /nfs/dbraw/zinc/05/85/68/989058568.db2.gz UMTCNJYHHBDPFW-QGZVFWFLSA-N 0 1 394.537 3.316 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cnc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC001590035529 989060028 /nfs/dbraw/zinc/06/00/28/989060028.db2.gz USBHOEVPGPLCCS-GOSISDBHSA-N 0 1 385.464 3.131 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001590036353 989068118 /nfs/dbraw/zinc/06/81/18/989068118.db2.gz SAGJYACOYKYGRX-KBPBESRZSA-N 0 1 395.525 3.278 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@H+](Cc2oncc2C(=O)[O-])C2(CCCCC2)C1 ZINC001590058458 989101688 /nfs/dbraw/zinc/10/16/88/989101688.db2.gz NCFZBVXEHQZBJZ-UHFFFAOYSA-N 0 1 379.457 3.128 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2oncc2C(=O)[O-])C2(CCCCC2)C1 ZINC001590058458 989101695 /nfs/dbraw/zinc/10/16/95/989101695.db2.gz NCFZBVXEHQZBJZ-UHFFFAOYSA-N 0 1 379.457 3.128 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@H+](CCC(C)(C)C(=O)[O-])[C@H](c2ccncc2)C1 ZINC001590059163 989108007 /nfs/dbraw/zinc/10/80/07/989108007.db2.gz XTPFAYYQNYOKMO-INIZCTEOSA-N 0 1 377.485 3.176 20 0 GGADMN CC(C)(C)OC(=O)N1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H](c2ccncc2)C1 ZINC001590059163 989108015 /nfs/dbraw/zinc/10/80/15/989108015.db2.gz XTPFAYYQNYOKMO-INIZCTEOSA-N 0 1 377.485 3.176 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CCC[C@@H]4C[C@@]43C(=O)[O-])cccc2C1 ZINC001590085117 989201015 /nfs/dbraw/zinc/20/10/15/989201015.db2.gz QUHPXCKSZVMBNB-VGSWGCGISA-N 0 1 386.492 3.419 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001597762910 989201720 /nfs/dbraw/zinc/20/17/20/989201720.db2.gz MSZKDZFRZRBGGX-VLIAUNLRSA-N 0 1 378.469 3.419 20 0 GGADMN CCc1oc(C(=O)[O-])cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001597766135 989208072 /nfs/dbraw/zinc/20/80/72/989208072.db2.gz DQFCLBKYPZPUMF-ICSRJNTNSA-N 0 1 384.476 3.016 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccccc3F)C[C@]2(C)C1 ZINC001590091669 989209811 /nfs/dbraw/zinc/20/98/11/989209811.db2.gz RLMYQHKATDVJNO-GQWAEJPESA-N 0 1 378.444 3.140 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001597767176 989217161 /nfs/dbraw/zinc/21/71/61/989217161.db2.gz FHKDCHOPZMBQDQ-UJKQEGAGSA-N 0 1 394.265 3.443 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC001597767548 989221353 /nfs/dbraw/zinc/22/13/53/989221353.db2.gz QLDZHULDZAFMRQ-FQEVSTJZSA-N 0 1 375.421 3.117 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC001597767506 989221937 /nfs/dbraw/zinc/22/19/37/989221937.db2.gz PHHKUUKVKOQMAI-UHFFFAOYSA-N 0 1 377.412 3.483 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599864678 989226563 /nfs/dbraw/zinc/22/65/63/989226563.db2.gz DBFCGUDDCSEIII-PXAZEXFGSA-N 0 1 387.307 3.304 20 0 GGADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599864862 989229901 /nfs/dbraw/zinc/22/99/01/989229901.db2.gz MXNXTNSEBIAILO-PXAZEXFGSA-N 0 1 387.307 3.304 20 0 GGADMN CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+]([C@H](C(=O)[O-])c3ccsc3)C[C@]2(C)C1 ZINC001590099601 989238897 /nfs/dbraw/zinc/23/88/97/989238897.db2.gz UBNWGSNKQZRWEO-ZOCIIQOWSA-N 0 1 380.510 3.453 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CC(=O)[O-] ZINC001599865348 989242198 /nfs/dbraw/zinc/24/21/98/989242198.db2.gz YKJLTLFTYPIMND-UKRRQHHQSA-N 0 1 390.867 3.259 20 0 GGADMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599865762 989252397 /nfs/dbraw/zinc/25/23/97/989252397.db2.gz MXRVAKOSGPKTRC-NVXWUHKLSA-N 0 1 392.496 3.246 20 0 GGADMN CC(C)(C)OC(=O)N1[C@H](C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)COC1(C)C ZINC001590105748 989257853 /nfs/dbraw/zinc/25/78/53/989257853.db2.gz NODMJMXMPTYQOI-QGZVFWFLSA-N 0 1 390.480 3.115 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001599866344 989266452 /nfs/dbraw/zinc/26/64/52/989266452.db2.gz DEJMURDOZVJKOU-MRXNPFEDSA-N 0 1 396.491 3.189 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001599866344 989266461 /nfs/dbraw/zinc/26/64/61/989266461.db2.gz DEJMURDOZVJKOU-MRXNPFEDSA-N 0 1 396.491 3.189 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599866664 989275255 /nfs/dbraw/zinc/27/52/55/989275255.db2.gz IGBXVBZNNRHXRB-QLVMHMETSA-N 0 1 386.517 3.386 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)on1 ZINC001590112514 989292478 /nfs/dbraw/zinc/29/24/78/989292478.db2.gz KINHMGDCTNCDNG-LJQANCHMSA-N 0 1 381.473 3.121 20 0 GGADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)on1 ZINC001590112513 989292547 /nfs/dbraw/zinc/29/25/47/989292547.db2.gz KINHMGDCTNCDNG-IBGZPJMESA-N 0 1 381.473 3.121 20 0 GGADMN CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597791611 989323936 /nfs/dbraw/zinc/32/39/36/989323936.db2.gz SDVHTMMSVCSJIU-LLVKDONJSA-N 0 1 378.450 3.163 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001590118242 989327754 /nfs/dbraw/zinc/32/77/54/989327754.db2.gz UMHRZOSNBMMYIK-CYBMUJFWSA-N 0 1 384.423 3.291 20 0 GGADMN CCc1oc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1C(=O)[O-] ZINC001597795828 989347036 /nfs/dbraw/zinc/34/70/36/989347036.db2.gz DRNCKTDJRFGNJK-KRWDZBQOSA-N 0 1 387.480 3.040 20 0 GGADMN CCc1oc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1C(=O)[O-] ZINC001597795828 989347045 /nfs/dbraw/zinc/34/70/45/989347045.db2.gz DRNCKTDJRFGNJK-KRWDZBQOSA-N 0 1 387.480 3.040 20 0 GGADMN CCc1oc(C[N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)cc1C(=O)[O-] ZINC001597796320 989353502 /nfs/dbraw/zinc/35/35/02/989353502.db2.gz LAOMRCPNHKWWIZ-KRWDZBQOSA-N 0 1 386.492 3.263 20 0 GGADMN CCc1oc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1C(=O)[O-] ZINC001597799138 989378001 /nfs/dbraw/zinc/37/80/01/989378001.db2.gz NGSAWWAVGYDVAT-LLVKDONJSA-N 0 1 378.450 3.163 20 0 GGADMN CCc1oc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1C(=O)OC ZINC001597799682 989384174 /nfs/dbraw/zinc/38/41/74/989384174.db2.gz SUJRPXQKMKDSLO-NSHDSACASA-N 0 1 378.450 3.163 20 0 GGADMN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1C(=O)[O-])C2 ZINC001590137557 989386735 /nfs/dbraw/zinc/38/67/35/989386735.db2.gz AXXGHWSWHGDALG-BTYIYWSLSA-N 0 1 390.480 3.143 20 0 GGADMN CCc1oc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC001597799852 989387957 /nfs/dbraw/zinc/38/79/57/989387957.db2.gz UQSGRRSLXBKDKD-AWEZNQCLSA-N 0 1 386.217 3.265 20 0 GGADMN CCc1oc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C(=O)[O-] ZINC001597800226 989390969 /nfs/dbraw/zinc/39/09/69/989390969.db2.gz ZAKCFZIZWYKIRR-PZJWPPBQSA-N 0 1 384.476 3.016 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCC(C)(C)C(=O)[O-])C2)C1 ZINC001590146532 989418735 /nfs/dbraw/zinc/41/87/35/989418735.db2.gz COKWBIGIDVRVQF-GVDBMIGSSA-N 0 1 398.544 3.272 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3(CC(=O)[O-])CC3)C2)C1 ZINC001590148297 989439396 /nfs/dbraw/zinc/43/93/96/989439396.db2.gz WYLLEOUROQSOPJ-GVDBMIGSSA-N 0 1 396.528 3.026 20 0 GGADMN CCc1sc(-c2nnc(C[N@@H+]3[C@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816532 989447260 /nfs/dbraw/zinc/44/72/60/989447260.db2.gz WKYABHCBXBLTMK-RFGFWPKPSA-N 0 1 391.493 3.264 20 0 GGADMN CCc1sc(-c2nnc(C[N@H+]3[C@H]4C[C@@H](C(=O)[O-])O[C@H]4CC[C@H]3C)o2)cc1C ZINC001597816532 989447265 /nfs/dbraw/zinc/44/72/65/989447265.db2.gz WKYABHCBXBLTMK-RFGFWPKPSA-N 0 1 391.493 3.264 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2oncc2C(=O)[O-])C1 ZINC001590162371 989468727 /nfs/dbraw/zinc/46/87/27/989468727.db2.gz JYLWCMCIUFCLIK-IBGZPJMESA-N 0 1 381.473 3.136 20 0 GGADMN CC(C)(C)OC(=O)NCC1(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCC1 ZINC001590165505 989481921 /nfs/dbraw/zinc/48/19/21/989481921.db2.gz RSMQWBDRRULURP-CYBMUJFWSA-N 0 1 395.525 3.326 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001590168569 989488168 /nfs/dbraw/zinc/48/81/68/989488168.db2.gz HORKXSGHEWPSDW-MUIAWISWSA-N 0 1 376.453 3.257 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CC[N@H+]2CCOc1ccccc1C(=O)[O-] ZINC001590169990 989494384 /nfs/dbraw/zinc/49/43/84/989494384.db2.gz OMCJWURPTAYCFO-VFNWGFHPSA-N 0 1 390.480 3.143 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](Cc3ccc(C(=O)[O-])cn3)C[C@@H]1CCCC2 ZINC001590170980 989497394 /nfs/dbraw/zinc/49/73/94/989497394.db2.gz UPFIXPUDPBQLJK-KKSFZXQISA-N 0 1 389.496 3.297 20 0 GGADMN CC(C)(C)OC(=O)NC[C@]12C[N@@H+](Cc3ccc(C(=O)[O-])cn3)C[C@H]1CCCC2 ZINC001590170978 989497627 /nfs/dbraw/zinc/49/76/27/989497627.db2.gz UPFIXPUDPBQLJK-IIBYNOLFSA-N 0 1 389.496 3.297 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2Cl)CCCO1 ZINC001590176599 989509393 /nfs/dbraw/zinc/50/93/93/989509393.db2.gz KVWHMSUWXVZDFY-CJNGLKHVSA-N 0 1 398.887 3.081 20 0 GGADMN C[C@]12CN(C(=O)Nc3ccc(C(=O)[O-])s3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884803 989536319 /nfs/dbraw/zinc/53/63/19/989536319.db2.gz JAZNGMJUSQKATM-QRWLVFNGSA-N 0 1 385.489 3.432 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001590185505 989542107 /nfs/dbraw/zinc/54/21/07/989542107.db2.gz RUUWIAAOFJBHPU-INIZCTEOSA-N 0 1 392.496 3.277 20 0 GGADMN CC(C)(C)OC(=O)NCCC[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)CC1CCCC1 ZINC001590195078 989553993 /nfs/dbraw/zinc/55/39/93/989553993.db2.gz PUZFLQUSVLHFIW-CABCVRRESA-N 0 1 390.471 3.359 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCSC[C@H]2CC(=O)[O-])CC1 ZINC001590206774 989579906 /nfs/dbraw/zinc/57/99/06/989579906.db2.gz SWHOHXDXMGUUNS-BZUAXINKSA-N 0 1 386.558 3.210 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@H+](CCC(C)(C)C(=O)[O-])C2 ZINC001590229308 989600233 /nfs/dbraw/zinc/60/02/33/989600233.db2.gz GQXBTDPWTSLBHP-UHFFFAOYSA-N 0 1 383.514 3.027 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@@H+](CCC(C)(C)C(=O)[O-])C2 ZINC001590229308 989600236 /nfs/dbraw/zinc/60/02/36/989600236.db2.gz GQXBTDPWTSLBHP-UHFFFAOYSA-N 0 1 383.514 3.027 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001590263046 989654225 /nfs/dbraw/zinc/65/42/25/989654225.db2.gz CPMINTSJNJBJPH-KGLIPLIRSA-N 0 1 388.386 3.430 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001590263085 989654698 /nfs/dbraw/zinc/65/46/98/989654698.db2.gz DFAHYANFRGLVJO-CYBMUJFWSA-N 0 1 399.285 3.246 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001590263085 989654702 /nfs/dbraw/zinc/65/47/02/989654702.db2.gz DFAHYANFRGLVJO-CYBMUJFWSA-N 0 1 399.285 3.246 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001590264776 989660412 /nfs/dbraw/zinc/66/04/12/989660412.db2.gz XFCSNXYCDBORCJ-CYBMUJFWSA-N 0 1 399.285 3.246 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001590264776 989660417 /nfs/dbraw/zinc/66/04/17/989660417.db2.gz XFCSNXYCDBORCJ-CYBMUJFWSA-N 0 1 399.285 3.246 20 0 GGADMN CCn1c2ccccc2c2cc(C[N@@H+](C)[C@@H]3CCN(CCC(=O)[O-])C3=O)ccc21 ZINC001597869371 989667488 /nfs/dbraw/zinc/66/74/88/989667488.db2.gz ZWERQNRYKLAQFC-OAQYLSRUSA-N 0 1 393.487 3.322 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001590268143 989668728 /nfs/dbraw/zinc/66/87/28/989668728.db2.gz SPIIEHZQOKAUKX-FUHWJXTLSA-N 0 1 385.464 3.206 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001590282674 989691209 /nfs/dbraw/zinc/69/12/09/989691209.db2.gz DVXTUEFSONDSQH-AWEZNQCLSA-N 0 1 377.485 3.012 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001590282674 989691212 /nfs/dbraw/zinc/69/12/12/989691212.db2.gz DVXTUEFSONDSQH-AWEZNQCLSA-N 0 1 377.485 3.012 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@]2(C(=O)[O-])C1 ZINC001590291034 989706994 /nfs/dbraw/zinc/70/69/94/989706994.db2.gz KLKWTAIJVAXXEG-BFQNTYOBSA-N 0 1 380.407 3.019 20 0 GGADMN CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2C(=O)[O-])cn1 ZINC001597883053 989717301 /nfs/dbraw/zinc/71/73/01/989717301.db2.gz ZBBCIJPAJCVJER-NRFANRHFSA-N 0 1 397.450 3.476 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@]2(C(=O)[O-])C1 ZINC001590297374 989722811 /nfs/dbraw/zinc/72/28/11/989722811.db2.gz ROTGHBIXOWPUGR-PTSWNOGYSA-N 0 1 378.444 3.016 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC001590302696 989728231 /nfs/dbraw/zinc/72/82/31/989728231.db2.gz BYRBNGFYMGKADY-QGZVFWFLSA-N 0 1 378.469 3.489 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nn1 ZINC001590303199 989729251 /nfs/dbraw/zinc/72/92/51/989729251.db2.gz HOKWEKXJWMQQNN-NRFANRHFSA-N 0 1 398.463 3.052 20 0 GGADMN CCn1cc(C[N@H+](C)Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cn1 ZINC001597887411 989732752 /nfs/dbraw/zinc/73/27/52/989732752.db2.gz KQTFIWVGTGNINW-UHFFFAOYSA-N 0 1 399.447 3.414 20 0 GGADMN CCn1cc(C[N@@H+](C)Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cn1 ZINC001597887411 989732753 /nfs/dbraw/zinc/73/27/53/989732753.db2.gz KQTFIWVGTGNINW-UHFFFAOYSA-N 0 1 399.447 3.414 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC001590304431 989734133 /nfs/dbraw/zinc/73/41/33/989734133.db2.gz ZFOYJHTYHIEDNU-QGZVFWFLSA-N 0 1 383.448 3.440 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC001590319310 989754636 /nfs/dbraw/zinc/75/46/36/989754636.db2.gz BSDNUJDECXKYEU-KRWDZBQOSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC001590319310 989754639 /nfs/dbraw/zinc/75/46/39/989754639.db2.gz BSDNUJDECXKYEU-KRWDZBQOSA-N 0 1 384.436 3.008 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC001590319620 989757117 /nfs/dbraw/zinc/75/71/17/989757117.db2.gz KXACAQRXAWGUAC-CQSZACIVSA-N 0 1 395.403 3.329 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC001590319620 989757123 /nfs/dbraw/zinc/75/71/23/989757123.db2.gz KXACAQRXAWGUAC-CQSZACIVSA-N 0 1 395.403 3.329 20 0 GGADMN CC(C)(C)OC(=O)Nc1cnc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cn1 ZINC001590319777 989758092 /nfs/dbraw/zinc/75/80/92/989758092.db2.gz NRKOJDHFHKAELL-ZDUSSCGKSA-N 0 1 378.473 3.146 20 0 GGADMN CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]Cc2ccccc2CC(=O)[O-])s1 ZINC001590319927 989758824 /nfs/dbraw/zinc/75/88/24/989758824.db2.gz QZJQHWBMZWKSEH-UHFFFAOYSA-N 0 1 377.466 3.407 20 0 GGADMN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001590358291 989804159 /nfs/dbraw/zinc/80/41/59/989804159.db2.gz YPDAJPKNFCTVIZ-AWEZNQCLSA-N 0 1 383.872 3.471 20 0 GGADMN CC(C)(C)c1ccc(CCNC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001590485446 990084313 /nfs/dbraw/zinc/08/43/13/990084313.db2.gz XFRQDRAEKURMFV-QHCPKHFHSA-N 0 1 397.519 3.018 20 0 GGADMN CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001597991199 990090287 /nfs/dbraw/zinc/09/02/87/990090287.db2.gz DTGCNACBGYDPJD-SFHVURJKSA-N 0 1 376.840 3.069 20 0 GGADMN CN(C(=O)CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC001598012974 990188899 /nfs/dbraw/zinc/18/88/99/990188899.db2.gz RXPQBEOPRPWEDE-UHFFFAOYSA-N 0 1 376.403 3.295 20 0 GGADMN CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001590572605 990208914 /nfs/dbraw/zinc/20/89/14/990208914.db2.gz INTAMLGXWUONTN-UHFFFAOYSA-N 0 1 379.464 3.149 20 0 GGADMN CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001590572605 990208920 /nfs/dbraw/zinc/20/89/20/990208920.db2.gz INTAMLGXWUONTN-UHFFFAOYSA-N 0 1 379.464 3.149 20 0 GGADMN CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1C(=O)[O-] ZINC001598023401 990221978 /nfs/dbraw/zinc/22/19/78/990221978.db2.gz NHJNYZWLFRLAGA-OAHLLOKOSA-N 0 1 384.398 3.402 20 0 GGADMN CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1C(=O)[O-] ZINC001598023401 990221988 /nfs/dbraw/zinc/22/19/88/990221988.db2.gz NHJNYZWLFRLAGA-OAHLLOKOSA-N 0 1 384.398 3.402 20 0 GGADMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1)C(N)=O ZINC001590654302 990346388 /nfs/dbraw/zinc/34/63/88/990346388.db2.gz MUARCZPETJEDFL-ZDUSSCGKSA-N 0 1 397.313 3.261 20 0 GGADMN CC(C)(C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2Br)C1)C(N)=O ZINC001590654877 990349525 /nfs/dbraw/zinc/34/95/25/990349525.db2.gz WTWZKRVKAFBELY-SWLSCSKDSA-N 0 1 397.313 3.188 20 0 GGADMN CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001598068771 990364699 /nfs/dbraw/zinc/36/46/99/990364699.db2.gz SQODQAFVSCWNLF-IBGZPJMESA-N 0 1 378.428 3.342 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])cc1 ZINC001598145279 990615684 /nfs/dbraw/zinc/61/56/84/990615684.db2.gz NROZAYGJFQCMHL-SFHVURJKSA-N 0 1 386.473 3.177 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1 ZINC001598145728 990619495 /nfs/dbraw/zinc/61/94/95/990619495.db2.gz RPZWADPVZBQRSR-SZMVWBNQSA-N 0 1 392.521 3.305 20 0 GGADMN C[NH+](C)[C@@H](C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001598162417 990660475 /nfs/dbraw/zinc/66/04/75/990660475.db2.gz GVDBNDAZBPQWJA-OAHLLOKOSA-N 0 1 382.247 3.006 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001598162665 990662344 /nfs/dbraw/zinc/66/23/44/990662344.db2.gz JAEAABWXXIOAFJ-WIYYLYMNSA-N 0 1 386.879 3.198 20 0 GGADMN C[NH+](C)[C@@H](C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1cccc(Cl)c1 ZINC001598162663 990662547 /nfs/dbraw/zinc/66/25/47/990662547.db2.gz JAEAABWXXIOAFJ-NQIIRXRSSA-N 0 1 386.879 3.198 20 0 GGADMN C[NH+](C)[C@H](C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC001598162624 990662819 /nfs/dbraw/zinc/66/28/19/990662819.db2.gz ICEUKIPBVRRIKQ-PXNSSMCTSA-N 0 1 392.858 3.284 20 0 GGADMN C[NH+](C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001598162890 990665565 /nfs/dbraw/zinc/66/55/65/990665565.db2.gz MNYJFDGZDCOAIR-QRVBRYPASA-N 0 1 386.879 3.270 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC001598169544 990690396 /nfs/dbraw/zinc/69/03/96/990690396.db2.gz CCXMWJLJDZBFBM-SFHVURJKSA-N 0 1 389.883 3.183 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC001598169543 990690493 /nfs/dbraw/zinc/69/04/93/990690493.db2.gz CCXMWJLJDZBFBM-GOSISDBHSA-N 0 1 389.883 3.183 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1Cl ZINC001598174229 990721108 /nfs/dbraw/zinc/72/11/08/990721108.db2.gz WYGOIXYZSREOGE-KRWDZBQOSA-N 0 1 391.855 3.228 20 0 GGADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC001598176021 990726712 /nfs/dbraw/zinc/72/67/12/990726712.db2.gz JWHMKIWIWAFCJE-IBGZPJMESA-N 0 1 398.484 3.119 20 0 GGADMN CN(C)CC1([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CCC1 ZINC001598204149 990834897 /nfs/dbraw/zinc/83/48/97/990834897.db2.gz IBWSIACUEHHINC-UHFFFAOYSA-N 0 1 397.306 3.451 20 0 GGADMN C[NH+](C)Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)o1 ZINC001598248566 991022364 /nfs/dbraw/zinc/02/23/64/991022364.db2.gz DWVIMTFEQWJWIG-UHFFFAOYSA-N 0 1 384.354 3.087 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001590980404 991131127 /nfs/dbraw/zinc/13/11/27/991131127.db2.gz CQFSMDKJVPOEPD-INIZCTEOSA-N 0 1 390.509 3.048 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001590980577 991132765 /nfs/dbraw/zinc/13/27/65/991132765.db2.gz HTIZNMNPCYDPGR-OAQYLSRUSA-N 0 1 397.519 3.270 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001590980903 991135519 /nfs/dbraw/zinc/13/55/19/991135519.db2.gz MGMNWYNPIACBIN-OALUTQOASA-N 0 1 387.524 3.039 20 0 GGADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590981027 991137109 /nfs/dbraw/zinc/13/71/09/991137109.db2.gz OXLPGIWHPIIQCL-CEXWTWQISA-N 0 1 375.513 3.086 20 0 GGADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001590981602 991143255 /nfs/dbraw/zinc/14/32/55/991143255.db2.gz YJBICZYPLTWQEL-NRFANRHFSA-N 0 1 397.519 3.383 20 0 GGADMN CC(C)[C@H](CNC(=O)C[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001590982359 991150100 /nfs/dbraw/zinc/15/01/00/991150100.db2.gz KYZBWICRHMDXSW-NRFANRHFSA-N 0 1 380.488 3.299 20 0 GGADMN CC(C)[C@H](CNC(=O)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001590982359 991150104 /nfs/dbraw/zinc/15/01/04/991150104.db2.gz KYZBWICRHMDXSW-NRFANRHFSA-N 0 1 380.488 3.299 20 0 GGADMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001590988610 991186405 /nfs/dbraw/zinc/18/64/05/991186405.db2.gz NNVMOBYSNJJVBK-KRWDZBQOSA-N 0 1 392.496 3.376 20 0 GGADMN CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590988960 991191660 /nfs/dbraw/zinc/19/16/60/991191660.db2.gz RGEVPESXTXALBV-INIZCTEOSA-N 0 1 392.496 3.376 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699109 991192539 /nfs/dbraw/zinc/19/25/39/991192539.db2.gz VNEUVDIXBMEDKU-GJZGRUSLSA-N 0 1 382.460 3.017 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001599699109 991192541 /nfs/dbraw/zinc/19/25/41/991192541.db2.gz VNEUVDIXBMEDKU-GJZGRUSLSA-N 0 1 382.460 3.017 20 0 GGADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001598299723 991239928 /nfs/dbraw/zinc/23/99/28/991239928.db2.gz YNKIPXXKACYNHV-QGZVFWFLSA-N 0 1 388.512 3.369 20 0 GGADMN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC001591002157 991262481 /nfs/dbraw/zinc/26/24/81/991262481.db2.gz OROXLLAONDEIGV-LPHOPBHVSA-N 0 1 378.488 3.462 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1ccccc1Cl ZINC001591007801 991272406 /nfs/dbraw/zinc/27/24/06/991272406.db2.gz NFTVKRCTQXZQRH-RDTXWAMCSA-N 0 1 381.904 3.228 20 0 GGADMN CN(C)c1ccc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)cn1 ZINC001598318084 991311744 /nfs/dbraw/zinc/31/17/44/991311744.db2.gz VKVJLBXLPUEKDE-UHFFFAOYSA-N 0 1 392.297 3.387 20 0 GGADMN CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001598348725 991437487 /nfs/dbraw/zinc/43/74/87/991437487.db2.gz GDFZFODHNXYKQM-UHFFFAOYSA-N 0 1 381.398 3.296 20 0 GGADMN COc1ccccc1N1CCC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001599714971 991438214 /nfs/dbraw/zinc/43/82/14/991438214.db2.gz QWLUOWUVYCNWGJ-MRXNPFEDSA-N 0 1 399.491 3.122 20 0 GGADMN COc1ccccc1N1CCC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001599714971 991438220 /nfs/dbraw/zinc/43/82/20/991438220.db2.gz QWLUOWUVYCNWGJ-MRXNPFEDSA-N 0 1 399.491 3.122 20 0 GGADMN CN(C)c1nc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001598348939 991441501 /nfs/dbraw/zinc/44/15/01/991441501.db2.gz NAQSWJSGEHDNSE-HZPDHXFCSA-N 0 1 393.409 3.467 20 0 GGADMN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001599715436 991445829 /nfs/dbraw/zinc/44/58/29/991445829.db2.gz OIKYSDOUJTUGMD-QWHCGFSZSA-N 0 1 389.477 3.262 20 0 GGADMN COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001599715436 991445834 /nfs/dbraw/zinc/44/58/34/991445834.db2.gz OIKYSDOUJTUGMD-QWHCGFSZSA-N 0 1 389.477 3.262 20 0 GGADMN COc1ccccc1NC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001599715434 991445927 /nfs/dbraw/zinc/44/59/27/991445927.db2.gz OIKYSDOUJTUGMD-OLZOCXBDSA-N 0 1 389.477 3.262 20 0 GGADMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001599715434 991445932 /nfs/dbraw/zinc/44/59/32/991445932.db2.gz OIKYSDOUJTUGMD-OLZOCXBDSA-N 0 1 389.477 3.262 20 0 GGADMN CC(C)[C@H](c1noc([C@H]([NH3+])CCC(=O)[O-])n1)c1ccc(Br)cc1 ZINC001591051448 991451590 /nfs/dbraw/zinc/45/15/90/991451590.db2.gz CHYHOSFWJOISFC-OCCSQVGLSA-N 0 1 382.258 3.485 20 0 GGADMN CC(C)[C@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591051982 991455298 /nfs/dbraw/zinc/45/52/98/991455298.db2.gz LDHYNSDHXXQKPR-IBGZPJMESA-N 0 1 392.565 3.199 20 0 GGADMN COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001599716039 991456549 /nfs/dbraw/zinc/45/65/49/991456549.db2.gz YJBFNQRROZVCJH-QGZVFWFLSA-N 0 1 398.459 3.009 20 0 GGADMN CN(C)c1ncc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001598354200 991466530 /nfs/dbraw/zinc/46/65/30/991466530.db2.gz SPRTUIFWPGSNCS-LEWJYISDSA-N 0 1 391.471 3.307 20 0 GGADMN C[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C(C)(C)CC(=O)[O-] ZINC001598391525 991630159 /nfs/dbraw/zinc/63/01/59/991630159.db2.gz JIWJIYOQINFVRN-UHFFFAOYSA-N 0 1 378.856 3.401 20 0 GGADMN C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598391604 991632218 /nfs/dbraw/zinc/63/22/18/991632218.db2.gz PEMLHJBIPPNTDD-UHFFFAOYSA-N 0 1 381.476 3.372 20 0 GGADMN C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598391604 991632222 /nfs/dbraw/zinc/63/22/22/991632222.db2.gz PEMLHJBIPPNTDD-UHFFFAOYSA-N 0 1 381.476 3.372 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001591093053 991653189 /nfs/dbraw/zinc/65/31/89/991653189.db2.gz INAGSJBLTMAPAS-NRFANRHFSA-N 0 1 380.488 3.296 20 0 GGADMN C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@@H](CO)CC(C)(C)C ZINC001598396856 991663270 /nfs/dbraw/zinc/66/32/70/991663270.db2.gz UAKGWJCTPXGXPN-LLVKDONJSA-N 0 1 391.295 3.359 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])[C@@H]1CCSC1 ZINC001598397671 991675463 /nfs/dbraw/zinc/67/54/63/991675463.db2.gz MXCZZKULOJXKKH-GFCCVEGCSA-N 0 1 388.942 3.283 20 0 GGADMN C[N@@H+](CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])[C@@H]1CCSC1 ZINC001598397671 991675470 /nfs/dbraw/zinc/67/54/70/991675470.db2.gz MXCZZKULOJXKKH-GFCCVEGCSA-N 0 1 388.942 3.283 20 0 GGADMN C[N@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1cccc(Br)c1 ZINC001598397687 991675793 /nfs/dbraw/zinc/67/57/93/991675793.db2.gz NSUFFDXCDRUOEF-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1cccc(Br)c1 ZINC001598397687 991675796 /nfs/dbraw/zinc/67/57/96/991675796.db2.gz NSUFFDXCDRUOEF-UHFFFAOYSA-N 0 1 377.238 3.218 20 0 GGADMN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598397850 991679246 /nfs/dbraw/zinc/67/92/46/991679246.db2.gz XVXPDUUKAJODQJ-RBUKOAKNSA-N 0 1 386.423 3.315 20 0 GGADMN C[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001598399108 991680209 /nfs/dbraw/zinc/68/02/09/991680209.db2.gz APXLVPVPSBNIGA-CRAIPNDOSA-N 0 1 388.489 3.485 20 0 GGADMN C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001598399422 991682005 /nfs/dbraw/zinc/68/20/05/991682005.db2.gz HECAUOXNHKQBLC-IAGOWNOFSA-N 0 1 387.505 3.367 20 0 GGADMN C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(C)(C)CC(=O)[O-] ZINC001598399414 991682078 /nfs/dbraw/zinc/68/20/78/991682078.db2.gz GVPWXBHCNRADAX-UHFFFAOYSA-N 0 1 383.420 3.212 20 0 GGADMN C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001598399428 991682469 /nfs/dbraw/zinc/68/24/69/991682469.db2.gz HECAUOXNHKQBLC-SJORKVTESA-N 0 1 387.505 3.367 20 0 GGADMN CC(C)[C@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC001591096452 991687284 /nfs/dbraw/zinc/68/72/84/991687284.db2.gz DSDKDQBTHLXXGZ-OAQYLSRUSA-N 0 1 395.503 3.166 20 0 GGADMN CC(C)[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCCO1 ZINC001591096654 991691609 /nfs/dbraw/zinc/69/16/09/991691609.db2.gz NUHSPUUTQJPUBV-AWEZNQCLSA-N 0 1 380.510 3.011 20 0 GGADMN CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCCO1 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ZINC001598618645 993948184 /nfs/dbraw/zinc/94/81/84/993948184.db2.gz ONZUIFBLCFTPTM-SFHVURJKSA-N 0 1 395.478 3.374 20 0 GGADMN Cn1c2ccc(F)cc2c(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618645 993948193 /nfs/dbraw/zinc/94/81/93/993948193.db2.gz ONZUIFBLCFTPTM-SFHVURJKSA-N 0 1 395.478 3.374 20 0 GGADMN Cn1c2ccc(F)cc2c(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618645 993948198 /nfs/dbraw/zinc/94/81/98/993948198.db2.gz ONZUIFBLCFTPTM-SFHVURJKSA-N 0 1 395.478 3.374 20 0 GGADMN Cn1c2ccc(F)cc2c(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618644 993949047 /nfs/dbraw/zinc/94/90/47/993949047.db2.gz ONZUIFBLCFTPTM-GOSISDBHSA-N 0 1 395.478 3.374 20 0 GGADMN Cn1c2ccc(F)cc2c(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618644 993949053 /nfs/dbraw/zinc/94/90/53/993949053.db2.gz ONZUIFBLCFTPTM-GOSISDBHSA-N 0 1 395.478 3.374 20 0 GGADMN Cn1c2ccc(F)cc2c(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1C(=O)[O-] ZINC001598618644 993949061 /nfs/dbraw/zinc/94/90/61/993949061.db2.gz ONZUIFBLCFTPTM-GOSISDBHSA-N 0 1 395.478 3.374 20 0 GGADMN CN1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC001598618791 993953274 /nfs/dbraw/zinc/95/32/74/993953274.db2.gz VTNXPHTUYCFYNR-ZDKIGPTLSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC001598618791 993953280 /nfs/dbraw/zinc/95/32/80/993953280.db2.gz VTNXPHTUYCFYNR-ZDKIGPTLSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC001598618791 993953287 /nfs/dbraw/zinc/95/32/87/993953287.db2.gz VTNXPHTUYCFYNR-ZDKIGPTLSA-N 0 1 380.488 3.022 20 0 GGADMN C[N@H+]1CCN(Cc2cccc3c(Br)cccc23)C[C@H](C(=O)[O-])C1 ZINC001598619001 993959731 /nfs/dbraw/zinc/95/97/31/993959731.db2.gz GAYQGYVEACFDOE-CQSZACIVSA-N 0 1 377.282 3.051 20 0 GGADMN C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593175100 994042237 /nfs/dbraw/zinc/04/22/37/994042237.db2.gz CCYIFJANIVDGSY-OXQOHEQNSA-N 0 1 396.487 3.450 20 0 GGADMN C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)[C@@H]1c1ccccc1 ZINC001598625187 994076165 /nfs/dbraw/zinc/07/61/65/994076165.db2.gz FROUUMQAFRAFPA-BQFCYCMXSA-N 0 1 399.516 3.240 20 0 GGADMN C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Oc4ccnc(C(=O)[O-])c4)cc3)[C@@H]2C1 ZINC001598628596 994138325 /nfs/dbraw/zinc/13/83/25/994138325.db2.gz IXWIZNWDDNGKAJ-IFXJQAMLSA-N 0 1 396.447 3.130 20 0 GGADMN COc1ccc2c(C[N@@H+]3CCc4c(F)ccc(C(=O)[O-])c4C3)cc(=O)oc2c1 ZINC001599625533 994142998 /nfs/dbraw/zinc/14/29/98/994142998.db2.gz JSYZRDVDPYOBRI-UHFFFAOYSA-N 0 1 383.375 3.197 20 0 GGADMN COc1ccc2c(C[N@H+]3CCc4c(F)ccc(C(=O)[O-])c4C3)cc(=O)oc2c1 ZINC001599625533 994143005 /nfs/dbraw/zinc/14/30/05/994143005.db2.gz JSYZRDVDPYOBRI-UHFFFAOYSA-N 0 1 383.375 3.197 20 0 GGADMN C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598630000 994159132 /nfs/dbraw/zinc/15/91/32/994159132.db2.gz DAMHTOKWADWLDL-OALUTQOASA-N 0 1 381.476 3.324 20 0 GGADMN C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598630000 994159136 /nfs/dbraw/zinc/15/91/36/994159136.db2.gz DAMHTOKWADWLDL-OALUTQOASA-N 0 1 381.476 3.324 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(C(=O)[O-])co1 ZINC001593199383 994178604 /nfs/dbraw/zinc/17/86/04/994178604.db2.gz WTFBQEQNECONFT-STQMWFEESA-N 0 1 376.428 3.490 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(C(=O)[O-])co1 ZINC001593199382 994178756 /nfs/dbraw/zinc/17/87/56/994178756.db2.gz WTFBQEQNECONFT-QWHCGFSZSA-N 0 1 376.428 3.490 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(C(=O)[O-])co1 ZINC001593199379 994178807 /nfs/dbraw/zinc/17/88/07/994178807.db2.gz WTFBQEQNECONFT-CHWSQXEVSA-N 0 1 376.428 3.490 20 0 GGADMN COc1nsc(C[N@@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)c1C(=O)[O-] ZINC001599629420 994194978 /nfs/dbraw/zinc/19/49/78/994194978.db2.gz FKQKHDPZTMLKOG-UHFFFAOYSA-N 0 1 378.450 3.032 20 0 GGADMN COc1nsc(C[N@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)c1C(=O)[O-] ZINC001599629420 994194980 /nfs/dbraw/zinc/19/49/80/994194980.db2.gz FKQKHDPZTMLKOG-UHFFFAOYSA-N 0 1 378.450 3.032 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(=O)N[C@H](C)c1ccccc1 ZINC001593207600 994217819 /nfs/dbraw/zinc/21/78/19/994217819.db2.gz DBAWVOSGXIYMOH-CLCXKQKWSA-N 0 1 380.444 3.284 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001593207634 994218417 /nfs/dbraw/zinc/21/84/17/994218417.db2.gz DUWZEJYTMHWFQW-OQPBUACISA-N 0 1 388.276 3.062 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001593208251 994222248 /nfs/dbraw/zinc/22/22/48/994222248.db2.gz HFOASNQUDCGXGW-OQPBUACISA-N 0 1 388.276 3.062 20 0 GGADMN C[C@@H]([NH2+][C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC001593209221 994236631 /nfs/dbraw/zinc/23/66/31/994236631.db2.gz LMDQGCLCAAAESK-OQPBUACISA-N 0 1 388.276 3.062 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599635330 994279004 /nfs/dbraw/zinc/27/90/04/994279004.db2.gz MJAMQMWVSFAWFW-QMHKHESXSA-N 0 1 398.503 3.382 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599635328 994279244 /nfs/dbraw/zinc/27/92/44/994279244.db2.gz MJAMQMWVSFAWFW-HJPURHCSSA-N 0 1 398.503 3.382 20 0 GGADMN C[C@H](NC1CC[NH+](CCCC(=O)[O-])CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC001593220601 994314158 /nfs/dbraw/zinc/31/41/58/994314158.db2.gz UMVVUJBPSAGLEC-SGTLLEGYSA-N 0 1 389.323 3.334 20 0 GGADMN C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC001593220601 994314170 /nfs/dbraw/zinc/31/41/70/994314170.db2.gz UMVVUJBPSAGLEC-SGTLLEGYSA-N 0 1 389.323 3.334 20 0 GGADMN COc1cccc(-c2nn(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)c(=S)o2)c1 ZINC001599638918 994330155 /nfs/dbraw/zinc/33/01/55/994330155.db2.gz GVHVYLKMERFVAP-CQSZACIVSA-N 0 1 375.450 3.025 20 0 GGADMN C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)C1=O ZINC001593222548 994334701 /nfs/dbraw/zinc/33/47/01/994334701.db2.gz KVZKSVVMUCGAGD-ZOWXZIJZSA-N 0 1 391.468 3.383 20 0 GGADMN COc1cccc(-c2cc(C[NH2+]Cc3cc(C(=O)[O-])c4n3CCCC4)on2)c1 ZINC001599639771 994340789 /nfs/dbraw/zinc/34/07/89/994340789.db2.gz UYXMDRFEGGCLAH-UHFFFAOYSA-N 0 1 381.432 3.476 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593224373 994341302 /nfs/dbraw/zinc/34/13/02/994341302.db2.gz QEVZSUSNTGHNGR-PWSUYJOCSA-N 0 1 379.869 3.341 20 0 GGADMN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598643048 994342809 /nfs/dbraw/zinc/34/28/09/994342809.db2.gz WBDFSHWTRZYJST-GDBMZVCRSA-N 0 1 386.414 3.144 20 0 GGADMN C[C@H]([NH2+]C1CCC(CC(=O)[O-])CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001593225687 994347619 /nfs/dbraw/zinc/34/76/19/994347619.db2.gz WMMCSGJLBYAAKD-HJOIGYKYSA-N 0 1 377.504 3.262 20 0 GGADMN COc1cccc(-c2nc(C[NH+]3CCC(c4cc(C(=O)[O-])on4)CC3)co2)c1 ZINC001599640845 994357309 /nfs/dbraw/zinc/35/73/09/994357309.db2.gz VVLLYWYMUHVLHX-UHFFFAOYSA-N 0 1 383.404 3.416 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC001599646707 994435086 /nfs/dbraw/zinc/43/50/86/994435086.db2.gz DQNVFPOFOMXFLD-MRXNPFEDSA-N 0 1 380.485 3.304 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CC[C@H]2Sc3ccccc3NC2=O)c1 ZINC001599647349 994444059 /nfs/dbraw/zinc/44/40/59/994444059.db2.gz PICQYADYPBEWSW-QZTJIDSGSA-N 0 1 386.473 3.256 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001599647369 994444113 /nfs/dbraw/zinc/44/41/13/994444113.db2.gz PZQFRKKONXTIES-RHSMWYFYSA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001599648075 994454017 /nfs/dbraw/zinc/45/40/17/994454017.db2.gz YQTVBWVQIXIECM-SFHVURJKSA-N 0 1 376.497 3.037 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001599649208 994470350 /nfs/dbraw/zinc/47/03/50/994470350.db2.gz CLITVDSZCTUSJO-RHSMWYFYSA-N 0 1 378.469 3.058 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001599649209 994470422 /nfs/dbraw/zinc/47/04/22/994470422.db2.gz CLITVDSZCTUSJO-WMLDXEAASA-N 0 1 378.469 3.058 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)Cc2cnc(Br)c(C)c2)c1 ZINC001599649749 994479416 /nfs/dbraw/zinc/47/94/16/994479416.db2.gz GRGABMSBSUYJFP-HNNXBMFYSA-N 0 1 379.254 3.419 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC001599650249 994487771 /nfs/dbraw/zinc/48/77/71/994487771.db2.gz LPBHUPPCVXPBES-IAOVAPTHSA-N 0 1 378.469 3.056 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001599650823 994496659 /nfs/dbraw/zinc/49/66/59/994496659.db2.gz ORUYZTCRMQTAAL-MAUKXSAKSA-N 0 1 392.496 3.448 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC001599650928 994497518 /nfs/dbraw/zinc/49/75/18/994497518.db2.gz QIYZOCVCQQYBCI-WMLDXEAASA-N 0 1 378.469 3.010 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2C3CCC2(CNC(=O)OC(C)(C)C)CC3)c1 ZINC001599651195 994502667 /nfs/dbraw/zinc/50/26/67/994502667.db2.gz URTNSGIILVQRPY-FIWNRLKKSA-N 0 1 390.480 3.343 20 0 GGADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC001599651622 994512259 /nfs/dbraw/zinc/51/22/59/994512259.db2.gz XJYVQOSUVIKBQB-APWZRJJASA-N 0 1 384.480 3.018 20 0 GGADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC001599651626 994512531 /nfs/dbraw/zinc/51/25/31/994512531.db2.gz XJYVQOSUVIKBQB-VQIMIIECSA-N 0 1 384.480 3.018 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC001599652303 994524342 /nfs/dbraw/zinc/52/43/42/994524342.db2.gz LAPVMFZYQFIHQY-HXUWFJFHSA-N 0 1 382.420 3.163 20 0 GGADMN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2ncccc2Br)c1 ZINC001599654862 994562698 /nfs/dbraw/zinc/56/26/98/994562698.db2.gz AJYRSTGWXZWLCK-QGZVFWFLSA-N 0 1 379.254 3.332 20 0 GGADMN COc1cccc([C@@H](O)C[N@H+](Cc2cc(C(=O)[O-])no2)Cc2ccccc2)c1 ZINC001599657992 994611941 /nfs/dbraw/zinc/61/19/41/994611941.db2.gz ANXNFDWDJBQOCM-FQEVSTJZSA-N 0 1 382.416 3.117 20 0 GGADMN COc1cccc([C@@H](O)C[N@@H+](Cc2cc(C(=O)[O-])no2)Cc2ccccc2)c1 ZINC001599657992 994611945 /nfs/dbraw/zinc/61/19/45/994611945.db2.gz ANXNFDWDJBQOCM-FQEVSTJZSA-N 0 1 382.416 3.117 20 0 GGADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593289381 994663472 /nfs/dbraw/zinc/66/34/72/994663472.db2.gz RPRWYGQTAKANRQ-LBPRGKRZSA-N 0 1 396.896 3.139 20 0 GGADMN C[C@@]([NH2+]Cc1cc2c(cc1Br)OCO2)(C(=O)[O-])c1ccc(F)cc1 ZINC001593291695 994670898 /nfs/dbraw/zinc/67/08/98/994670898.db2.gz BCABCISYQFXJCO-KRWDZBQOSA-N 0 1 396.212 3.407 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccc(Br)cc1OCCCO ZINC001593297486 994703183 /nfs/dbraw/zinc/70/31/83/994703183.db2.gz VXWGDBWZJGCTQF-LLVKDONJSA-N 0 1 398.253 3.352 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599664682 994709823 /nfs/dbraw/zinc/70/98/23/994709823.db2.gz CMELJDMZMYHTSB-XLIONFOSSA-N 0 1 397.475 3.046 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C(=O)[O-])cc3)CC[N@H+]2C2CC2)c1 ZINC001599664829 994711912 /nfs/dbraw/zinc/71/19/12/994711912.db2.gz DFSMGHABTGDATL-WOJBJXKFSA-N 0 1 395.459 3.493 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(=O)[O-])c(F)c3)CC[N@H+]2C2CC2)c1 ZINC001599665448 994721655 /nfs/dbraw/zinc/72/16/55/994721655.db2.gz GANJVFUDSXRPLT-UXHICEINSA-N 0 1 398.434 3.240 20 0 GGADMN C[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593299678 994722511 /nfs/dbraw/zinc/72/25/11/994722511.db2.gz UDAXJMBXFFVSEP-KRWDZBQOSA-N 0 1 398.503 3.474 20 0 GGADMN C[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593299682 994723438 /nfs/dbraw/zinc/72/34/38/994723438.db2.gz UDAXJMBXFFVSEP-QGZVFWFLSA-N 0 1 398.503 3.474 20 0 GGADMN COc1cccc([C@H]2[C@H](NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC[N@H+]2C2CC2)c1 ZINC001599667613 994756173 /nfs/dbraw/zinc/75/61/73/994756173.db2.gz RMTARISVQRNNDV-XLIONFOSSA-N 0 1 397.475 3.046 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1ncc(C(=O)[O-])s1 ZINC001593305390 994763300 /nfs/dbraw/zinc/76/33/00/994763300.db2.gz YWGQLYQIQUPMED-CYBMUJFWSA-N 0 1 376.478 3.388 20 0 GGADMN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccc2c(c1)CCCO2 ZINC001593311253 994780121 /nfs/dbraw/zinc/78/01/21/994780121.db2.gz DMNRDXCQTYHEQT-LBPRGKRZSA-N 0 1 379.416 3.209 20 0 GGADMN C[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccc(OC(F)F)cc1 ZINC001593311542 994784504 /nfs/dbraw/zinc/78/45/04/994784504.db2.gz HONYGFFBVHBUIV-SNVBAGLBSA-N 0 1 389.358 3.486 20 0 GGADMN C[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(-n2cccn2)c1 ZINC001593312485 994800820 /nfs/dbraw/zinc/80/08/20/994800820.db2.gz VJKRUXLNZQFQHH-CYBMUJFWSA-N 0 1 389.415 3.070 20 0 GGADMN C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593316400 994810499 /nfs/dbraw/zinc/81/04/99/994810499.db2.gz HDARHSMMIONWKE-NSHDSACASA-N 0 1 387.823 3.303 20 0 GGADMN C[C@]([NH2+]Cc1nccn1CC(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC001593317288 994819008 /nfs/dbraw/zinc/81/90/08/994819008.db2.gz ODAZLIWDROWGLG-OAHLLOKOSA-N 0 1 388.212 3.000 20 0 GGADMN COc1cccc(C[NH+]2CCN(Cc3ccnc4c(C(=O)[O-])cccc34)CC2)c1 ZINC001599673808 994861205 /nfs/dbraw/zinc/86/12/05/994861205.db2.gz VUVUKHYXJDKWAK-UHFFFAOYSA-N 0 1 391.471 3.259 20 0 GGADMN COc1cccc(COc2ccc(C[N@@H+]3CC[C@H](OC)C[C@H]3C(=O)[O-])cc2)c1 ZINC001599677203 994917177 /nfs/dbraw/zinc/91/71/77/994917177.db2.gz UDBZQALWZDPDDY-SFTDATJTSA-N 0 1 385.460 3.338 20 0 GGADMN COc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001599679214 994951032 /nfs/dbraw/zinc/95/10/32/994951032.db2.gz WDPNMNBYGXKMHV-SFHVURJKSA-N 0 1 385.464 3.288 20 0 GGADMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC001598682526 994952877 /nfs/dbraw/zinc/95/28/77/994952877.db2.gz AAGAUGVTKUTPHP-NLZINVLXSA-N 0 1 375.465 3.074 20 0 GGADMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001598682956 994959628 /nfs/dbraw/zinc/95/96/28/994959628.db2.gz IRRAIEKKVNMYCH-CQSZACIVSA-N 0 1 383.872 3.328 20 0 GGADMN C[C@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593359990 995020784 /nfs/dbraw/zinc/02/07/84/995020784.db2.gz MDPUPGYATATXMT-UGQVUOCMSA-N 0 1 377.460 3.160 20 0 GGADMN COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001598690482 995057386 /nfs/dbraw/zinc/05/73/86/995057386.db2.gz JRSVICUEALQILC-CQSZACIVSA-N 0 1 391.851 3.367 20 0 GGADMN COC(=O)[C@H](C)Oc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001598690667 995060233 /nfs/dbraw/zinc/06/02/33/995060233.db2.gz OPOWVPBMLAQHLA-SJORKVTESA-N 0 1 385.460 3.350 20 0 GGADMN C[C@H](O)[C@@H]([NH2+]Cc1ccc(C(=O)[O-])c(Br)c1)c1ccccc1F ZINC001593431534 995251492 /nfs/dbraw/zinc/25/14/92/995251492.db2.gz GOBBASNCKFDNKA-MGPLVRAMSA-N 0 1 382.229 3.498 20 0 GGADMN COC(=O)[C@H](N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1cccc(C(=O)[O-])c1 ZINC001598706138 995289436 /nfs/dbraw/zinc/28/94/36/995289436.db2.gz OIQTZVQGSLNRAG-JLTOFOAXSA-N 0 1 393.443 3.444 20 0 GGADMN C[C@H](O)[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])C1 ZINC001593441469 995294995 /nfs/dbraw/zinc/29/49/95/995294995.db2.gz GVISLHPUFZGREZ-WDEREUQCSA-N 0 1 384.263 3.080 20 0 GGADMN COC(=O)[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(=O)[O-])c1 ZINC001598708885 995323112 /nfs/dbraw/zinc/32/31/12/995323112.db2.gz QHSOJWLQTVWAHA-NFBKMPQASA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(=O)[O-])c1 ZINC001598708888 995323134 /nfs/dbraw/zinc/32/31/34/995323134.db2.gz QHSOJWLQTVWAHA-REWPJTCUSA-N 0 1 396.487 3.101 20 0 GGADMN C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593450748 995345778 /nfs/dbraw/zinc/34/57/78/995345778.db2.gz LZIMFALPKAJMRA-IHRRRGAJSA-N 0 1 394.537 3.135 20 0 GGADMN C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593450748 995345784 /nfs/dbraw/zinc/34/57/84/995345784.db2.gz LZIMFALPKAJMRA-IHRRRGAJSA-N 0 1 394.537 3.135 20 0 GGADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001598713750 995379348 /nfs/dbraw/zinc/37/93/48/995379348.db2.gz REDLEKLSYSASQR-OALUTQOASA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001598713751 995379637 /nfs/dbraw/zinc/37/96/37/995379637.db2.gz REDLEKLSYSASQR-RBUKOAKNSA-N 0 1 375.465 3.128 20 0 GGADMN COC(=O)[C@@H](c1ccccc1Br)[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598716078 995410301 /nfs/dbraw/zinc/41/03/01/995410301.db2.gz ULKPSHSPGHCPIK-CDHAZOANSA-N 0 1 396.281 3.240 20 0 GGADMN COC(=O)[C@@H](c1ccccc1Br)[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001598716078 995410305 /nfs/dbraw/zinc/41/03/05/995410305.db2.gz ULKPSHSPGHCPIK-CDHAZOANSA-N 0 1 396.281 3.240 20 0 GGADMN COC(=O)[C@H](c1ccccc1F)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598716162 995412159 /nfs/dbraw/zinc/41/21/59/995412159.db2.gz VEBDSVHEJHHTLI-JZXOWHBKSA-N 0 1 391.826 3.493 20 0 GGADMN COC(=O)[C@H](c1ccccc1F)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598716162 995412165 /nfs/dbraw/zinc/41/21/65/995412165.db2.gz VEBDSVHEJHHTLI-JZXOWHBKSA-N 0 1 391.826 3.493 20 0 GGADMN C[C@H](OC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1nc(C(=O)[O-])co1 ZINC001593503762 995516270 /nfs/dbraw/zinc/51/62/70/995516270.db2.gz ZGOOPBDETJPHGF-JSGCOSHPSA-N 0 1 376.384 3.028 20 0 GGADMN COC(=O)[C@@H]1[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1(F)F ZINC001598740714 995560281 /nfs/dbraw/zinc/56/02/81/995560281.db2.gz GAZBHSFBUHTKLC-KPXOXKRLSA-N 0 1 382.190 3.105 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1)C(=O)[O-] ZINC001593615290 995831863 /nfs/dbraw/zinc/83/18/63/995831863.db2.gz ITKXYBWRSXZCJH-SUMDDJOVSA-N 0 1 375.465 3.046 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC001593615303 995832171 /nfs/dbraw/zinc/83/21/71/995832171.db2.gz JACNKUGOJNNLFA-XHSDSOJGSA-N 0 1 392.496 3.368 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1)C(=O)[O-] ZINC001593615303 995832177 /nfs/dbraw/zinc/83/21/77/995832177.db2.gz JACNKUGOJNNLFA-XHSDSOJGSA-N 0 1 392.496 3.368 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC001593615387 995832747 /nfs/dbraw/zinc/83/27/47/995832747.db2.gz JBYRENDJCRBYIB-RLFYNMQTSA-N 0 1 377.481 3.338 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1)C(=O)[O-] ZINC001593615713 995838203 /nfs/dbraw/zinc/83/82/03/995838203.db2.gz MFNXZBIUSWGSCE-INIZCTEOSA-N 0 1 392.459 3.284 20 0 GGADMN C[C@@H](Oc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1)C(=O)[O-] ZINC001593616176 995844697 /nfs/dbraw/zinc/84/46/97/995844697.db2.gz ZHQJBUGDCYLXAY-ZNLUXHQJSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1)C(=O)[O-] ZINC001593616176 995844700 /nfs/dbraw/zinc/84/47/00/995844700.db2.gz ZHQJBUGDCYLXAY-ZNLUXHQJSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1)C(=O)[O-] ZINC001593616176 995844702 /nfs/dbraw/zinc/84/47/02/995844702.db2.gz ZHQJBUGDCYLXAY-ZNLUXHQJSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@H](Oc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1)C(=O)[O-] ZINC001593616175 995845175 /nfs/dbraw/zinc/84/51/75/995845175.db2.gz ZHQJBUGDCYLXAY-WEYGHZABSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1)C(=O)[O-] ZINC001593616175 995845179 /nfs/dbraw/zinc/84/51/79/995845179.db2.gz ZHQJBUGDCYLXAY-WEYGHZABSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1)C(=O)[O-] ZINC001593616175 995845184 /nfs/dbraw/zinc/84/51/84/995845184.db2.gz ZHQJBUGDCYLXAY-WEYGHZABSA-N 0 1 380.488 3.245 20 0 GGADMN C[C@H](Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)cc1)C(=O)[O-] ZINC001593617983 995856194 /nfs/dbraw/zinc/85/61/94/995856194.db2.gz RWZQOLYISILCDG-JXFKEZNVSA-N 0 1 379.460 3.346 20 0 GGADMN C[C@H](Oc1ccc(CNc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1)C(=O)[O-] ZINC001593619159 995859854 /nfs/dbraw/zinc/85/98/54/995859854.db2.gz ADRDPQCSFZUBIR-UWJYYQICSA-N 0 1 395.503 3.435 20 0 GGADMN CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)CC2 ZINC001593626045 995893294 /nfs/dbraw/zinc/89/32/94/995893294.db2.gz FRGGBAJLHXQNGQ-BMFZPTHFSA-N 0 1 393.459 3.157 20 0 GGADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001598776416 995934499 /nfs/dbraw/zinc/93/44/99/995934499.db2.gz KVCSHCDDTLGXSY-RTBURBONSA-N 0 1 383.444 3.104 20 0 GGADMN C[C@H](Oc1ccccc1C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001593644479 995962010 /nfs/dbraw/zinc/96/20/10/995962010.db2.gz KWGZNRSHKAPBTM-DOTOQJQBSA-N 0 1 392.496 3.370 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779006 995962394 /nfs/dbraw/zinc/96/23/94/995962394.db2.gz QQBGOPXPQGZTAE-GWCFXTLKSA-N 0 1 379.762 3.197 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001598779006 995962399 /nfs/dbraw/zinc/96/23/99/995962399.db2.gz QQBGOPXPQGZTAE-GWCFXTLKSA-N 0 1 379.762 3.197 20 0 GGADMN C[C@@H](Oc1ccccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC001593644806 995966377 /nfs/dbraw/zinc/96/63/77/995966377.db2.gz NAMUMWRKKSQKOB-OCCSQVGLSA-N 0 1 395.381 3.337 20 0 GGADMN C[C@H](Oc1ccccc1C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001593645019 995969157 /nfs/dbraw/zinc/96/91/57/995969157.db2.gz OOEMSHRPHAHKAN-AWEZNQCLSA-N 0 1 380.485 3.274 20 0 GGADMN C[C@H](Oc1ccccc1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C(=O)[O-] ZINC001593645994 995979468 /nfs/dbraw/zinc/97/94/68/995979468.db2.gz USZXHTFKNBJYRH-GHTZIAJQSA-N 0 1 382.504 3.287 20 0 GGADMN C[C@H](Oc1ccccc1C[NH2+]Cc1ccncc1OCC(F)(F)F)C(=O)[O-] ZINC001593648806 995998936 /nfs/dbraw/zinc/99/89/36/995998936.db2.gz MVCLLINWNCDUTI-LBPRGKRZSA-N 0 1 384.354 3.164 20 0 GGADMN C[C@H](Oc1ccccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC001593649366 996002355 /nfs/dbraw/zinc/00/23/55/996002355.db2.gz SWCPUGHROIEYSI-LQWHRVPQSA-N 0 1 382.504 3.396 20 0 GGADMN COC(=O)[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001598788478 996050863 /nfs/dbraw/zinc/05/08/63/996050863.db2.gz PRCGRICKCIWSJE-LAVFITLUSA-N 0 1 379.884 3.419 20 0 GGADMN C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C(=O)[O-] ZINC001593673106 996081703 /nfs/dbraw/zinc/08/17/03/996081703.db2.gz OGPRDIZZBDKIBT-HOCLYGCPSA-N 0 1 376.522 3.389 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC001598798290 996123244 /nfs/dbraw/zinc/12/32/44/996123244.db2.gz DRRDSYBRMVBMIR-MFKMUULPSA-N 0 1 392.304 3.424 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001593690133 996135112 /nfs/dbraw/zinc/13/51/12/996135112.db2.gz NZDLGVVNZZJEAE-MNOVXSKESA-N 0 1 380.242 3.471 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593692404 996139103 /nfs/dbraw/zinc/13/91/03/996139103.db2.gz CFAYENPWLFWQBL-CWFSZBLJSA-N 0 1 384.451 3.145 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)[C@H](C(=O)[O-])C1 ZINC001598801342 996140735 /nfs/dbraw/zinc/14/07/35/996140735.db2.gz BGMWQZBUDFQWCQ-QAPCUYQASA-N 0 1 387.407 3.456 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001593693081 996142406 /nfs/dbraw/zinc/14/24/06/996142406.db2.gz JFRFWNQWSYJGRK-OAOYMFHYSA-N 0 1 376.472 3.310 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001593694596 996151346 /nfs/dbraw/zinc/15/13/46/996151346.db2.gz ZMYNYOYTDIHIDC-CYBMUJFWSA-N 0 1 388.414 3.241 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001593694596 996151350 /nfs/dbraw/zinc/15/13/50/996151350.db2.gz ZMYNYOYTDIHIDC-CYBMUJFWSA-N 0 1 388.414 3.241 20 0 GGADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC001593697301 996155208 /nfs/dbraw/zinc/15/52/08/996155208.db2.gz IHBRZDJTFOQNTL-CYBMUJFWSA-N 0 1 394.518 3.179 20 0 GGADMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC001593697404 996156645 /nfs/dbraw/zinc/15/66/45/996156645.db2.gz JZBIZADYKYIEJO-LWILDLIXSA-N 0 1 396.462 3.288 20 0 GGADMN C[C@@H](c1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC001593700180 996175090 /nfs/dbraw/zinc/17/50/90/996175090.db2.gz XVLXJXBNQPYZEU-INIZCTEOSA-N 0 1 377.485 3.236 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC001593704015 996182159 /nfs/dbraw/zinc/18/21/59/996182159.db2.gz XDYUQOAQCFKFFP-OAHLLOKOSA-N 0 1 388.489 3.118 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001593705702 996192243 /nfs/dbraw/zinc/19/22/43/996192243.db2.gz KJPNEDJHBYZQIR-DEQJRXDXSA-N 0 1 396.487 3.315 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001593705702 996192247 /nfs/dbraw/zinc/19/22/47/996192247.db2.gz KJPNEDJHBYZQIR-DEQJRXDXSA-N 0 1 396.487 3.315 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001593705703 996192277 /nfs/dbraw/zinc/19/22/77/996192277.db2.gz KJPNEDJHBYZQIR-GPZRYRNASA-N 0 1 396.487 3.315 20 0 GGADMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001593705703 996192280 /nfs/dbraw/zinc/19/22/80/996192280.db2.gz KJPNEDJHBYZQIR-GPZRYRNASA-N 0 1 396.487 3.315 20 0 GGADMN C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(N)=O ZINC001593706509 996197392 /nfs/dbraw/zinc/19/73/92/996197392.db2.gz NMNIUBCTMRTIDC-FZKQIMNGSA-N 0 1 395.484 3.256 20 0 GGADMN C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(N)=O ZINC001593706511 996197489 /nfs/dbraw/zinc/19/74/89/996197489.db2.gz NMNIUBCTMRTIDC-UGSOOPFHSA-N 0 1 395.484 3.256 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593711700 996213606 /nfs/dbraw/zinc/21/36/06/996213606.db2.gz WWYPOCAUSHLQGE-APWZRJJASA-N 0 1 397.475 3.497 20 0 GGADMN C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725251 996275403 /nfs/dbraw/zinc/27/54/03/996275403.db2.gz TUJJPCBYPWDXAE-KGLIPLIRSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593725251 996275407 /nfs/dbraw/zinc/27/54/07/996275407.db2.gz TUJJPCBYPWDXAE-KGLIPLIRSA-N 0 1 383.477 3.363 20 0 GGADMN C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001593725647 996280637 /nfs/dbraw/zinc/28/06/37/996280637.db2.gz ZKEYHIFDQZRFQZ-BYCMXARLSA-N 0 1 385.445 3.365 20 0 GGADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)[O-] ZINC001598817314 996284680 /nfs/dbraw/zinc/28/46/80/996284680.db2.gz GGPYYJDQSTZICX-NILFDRSVSA-N 0 1 392.839 3.170 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731719 996303989 /nfs/dbraw/zinc/30/39/89/996303989.db2.gz IERSVFZHPPQYJM-AGIUHOORSA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731719 996303992 /nfs/dbraw/zinc/30/39/92/996303992.db2.gz IERSVFZHPPQYJM-AGIUHOORSA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731726 996304133 /nfs/dbraw/zinc/30/41/33/996304133.db2.gz IERSVFZHPPQYJM-UPJWGTAASA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001593731726 996304137 /nfs/dbraw/zinc/30/41/37/996304137.db2.gz IERSVFZHPPQYJM-UPJWGTAASA-N 0 1 381.498 3.234 20 0 GGADMN C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001593733641 996319984 /nfs/dbraw/zinc/31/99/84/996319984.db2.gz KCWYHRUJHWDAMO-YUSALJHKSA-N 0 1 385.247 3.477 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734437 996324000 /nfs/dbraw/zinc/32/40/00/996324000.db2.gz VPTSIBCVEPZVSE-YVEFUNNKSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734437 996324005 /nfs/dbraw/zinc/32/40/05/996324005.db2.gz VPTSIBCVEPZVSE-YVEFUNNKSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734436 996324507 /nfs/dbraw/zinc/32/45/07/996324507.db2.gz VPTSIBCVEPZVSE-SJKOYZFVSA-N 0 1 376.254 3.028 20 0 GGADMN C[C@H](c1ncc(Br)cn1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001593734436 996324512 /nfs/dbraw/zinc/32/45/12/996324512.db2.gz VPTSIBCVEPZVSE-SJKOYZFVSA-N 0 1 376.254 3.028 20 0 GGADMN COC(=O)[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598825359 996376651 /nfs/dbraw/zinc/37/66/51/996376651.db2.gz CLEWTWCJNSPWPO-NWDGAFQWSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598825359 996376654 /nfs/dbraw/zinc/37/66/54/996376654.db2.gz CLEWTWCJNSPWPO-NWDGAFQWSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001598825363 996376678 /nfs/dbraw/zinc/37/66/78/996376678.db2.gz CLEWTWCJNSPWPO-VXGBXAGGSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001598825363 996376682 /nfs/dbraw/zinc/37/66/82/996376682.db2.gz CLEWTWCJNSPWPO-VXGBXAGGSA-N 0 1 399.287 3.030 20 0 GGADMN COC(=O)[C@@H]1C[N@@H+](Cc2ccnc3c(C(=O)[O-])cccc23)Cc2ccccc21 ZINC001598826456 996388123 /nfs/dbraw/zinc/38/81/23/996388123.db2.gz HLTBITKOJAOPQD-LJQANCHMSA-N 0 1 376.412 3.205 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001593770248 996458845 /nfs/dbraw/zinc/45/88/45/996458845.db2.gz YDLWIPKRUCYWNH-VAWZGJIGSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001593770245 996459008 /nfs/dbraw/zinc/45/90/08/996459008.db2.gz YDLWIPKRUCYWNH-AWWSKVOZSA-N 0 1 399.535 3.183 20 0 GGADMN COC(=O)/C=C\c1ccc(OCC[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001598834693 996473044 /nfs/dbraw/zinc/47/30/44/996473044.db2.gz MWRMVHLCACAHRO-SDMNGIDPSA-N 0 1 375.465 3.074 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001593775930 996474140 /nfs/dbraw/zinc/47/41/40/996474140.db2.gz GKFAMPNUPRHHEC-HSZRJFAPSA-N 0 1 394.471 3.433 20 0 GGADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001593776216 996475807 /nfs/dbraw/zinc/47/58/07/996475807.db2.gz GYYQWJXBZYXNEQ-HNNXBMFYSA-N 0 1 378.778 3.484 20 0 GGADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC001593776167 996475947 /nfs/dbraw/zinc/47/59/47/996475947.db2.gz GJCSRDBLWFBIRQ-VQIMIIECSA-N 0 1 398.425 3.383 20 0 GGADMN COC(=O)CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)C1 ZINC001598848078 996581106 /nfs/dbraw/zinc/58/11/06/996581106.db2.gz GPBFCFXYAHWHAQ-WBMJQRKESA-N 0 1 384.270 3.240 20 0 GGADMN COC(=O)CCC[N@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccccc1 ZINC001598852336 996614952 /nfs/dbraw/zinc/61/49/52/996614952.db2.gz QGDIBSJZSVJWHR-UHFFFAOYSA-N 0 1 398.459 3.087 20 0 GGADMN COC(=O)CCC[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccccc1 ZINC001598852336 996614956 /nfs/dbraw/zinc/61/49/56/996614956.db2.gz QGDIBSJZSVJWHR-UHFFFAOYSA-N 0 1 398.459 3.087 20 0 GGADMN COC(=O)CC[N@@H+](Cc1occc1C(=O)[O-])Cc1cccc(Br)c1 ZINC001598855068 996631635 /nfs/dbraw/zinc/63/16/35/996631635.db2.gz OFYJMGVYXJIDSZ-UHFFFAOYSA-N 0 1 396.237 3.306 20 0 GGADMN COC(=O)COc1ccc(C[N@H+](C)Cc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001598866257 996707617 /nfs/dbraw/zinc/70/76/17/996707617.db2.gz DRUWYQBTZMNINL-UHFFFAOYSA-N 0 1 377.824 3.222 20 0 GGADMN COC(=O)COc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001598866257 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HZZLFNFAGQLJSI-FUHWJXTLSA-N 0 1 387.476 3.443 20 0 GGADMN COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599278122 996845333 /nfs/dbraw/zinc/84/53/33/996845333.db2.gz ZXMMUAXKCCVFDO-CYBMUJFWSA-N 0 1 392.477 3.212 20 0 GGADMN CO[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC001599075572 996853055 /nfs/dbraw/zinc/85/30/55/996853055.db2.gz AQFMCRWXXXXPNG-FVMDXXJSSA-N 0 1 386.235 3.280 20 0 GGADMN COCc1c(C)cc(C)c(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1C ZINC001599278566 996853761 /nfs/dbraw/zinc/85/37/61/996853761.db2.gz OJBXOYASZVCGOW-JOCHJYFZSA-N 0 1 375.509 3.340 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001599381404 996857291 /nfs/dbraw/zinc/85/72/91/996857291.db2.gz WDAUOTUKMFVCAN-WMZOPIPTSA-N 0 1 387.476 3.443 20 0 GGADMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001593928454 996872270 /nfs/dbraw/zinc/87/22/70/996872270.db2.gz BAYKRZLQEYEAPL-UHFFFAOYSA-N 0 1 395.503 3.224 20 0 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COc1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc2c1OCO2 ZINC001599405892 997297697 /nfs/dbraw/zinc/29/76/97/997297697.db2.gz MCVQJMFTVJLDSM-INIZCTEOSA-N 0 1 383.322 3.099 20 0 GGADMN COc1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc2c1OCO2 ZINC001599405893 997299127 /nfs/dbraw/zinc/29/91/27/997299127.db2.gz MCVQJMFTVJLDSM-MRXNPFEDSA-N 0 1 383.322 3.099 20 0 GGADMN COc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c(Br)cc1C(=O)[O-] ZINC001599406141 997306351 /nfs/dbraw/zinc/30/63/51/997306351.db2.gz UMGHRTUGPIDNMU-AWEZNQCLSA-N 0 1 399.329 3.462 20 0 GGADMN CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C12CCC2 ZINC001599097196 997306590 /nfs/dbraw/zinc/30/65/90/997306590.db2.gz QEGSQCIHUFEHQI-CABCVRRESA-N 0 1 392.521 3.153 20 0 GGADMN CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C12CCC2 ZINC001599097196 997306602 /nfs/dbraw/zinc/30/66/02/997306602.db2.gz QEGSQCIHUFEHQI-CABCVRRESA-N 0 1 392.521 3.153 20 0 GGADMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cccc3c2OC(F)(F)O3)cc(OC)c1 ZINC001599406204 997307601 /nfs/dbraw/zinc/30/76/01/997307601.db2.gz YCRAFKHWKUFERY-UHFFFAOYSA-N 0 1 395.358 3.112 20 0 GGADMN COc1cc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c(Br)cc1C(=O)[O-] ZINC001599406318 997310039 /nfs/dbraw/zinc/31/00/39/997310039.db2.gz ZSAPTFSYIYAPML-PIGZYNQJSA-N 0 1 386.286 3.139 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(Br)cn1 ZINC001599406808 997323093 /nfs/dbraw/zinc/32/30/93/997323093.db2.gz JUOMEGAKTHGJTJ-IPYPFGDCSA-N 0 1 383.286 3.318 20 0 GGADMN COc1cc(C[N@@H+]2CCCc3n[nH]cc3C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406849 997325165 /nfs/dbraw/zinc/32/51/65/997325165.db2.gz DUIHARJSRNACSA-UHFFFAOYSA-N 0 1 397.431 3.237 20 0 GGADMN COc1cc(C[N@H+]2CCCc3n[nH]cc3C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406849 997325178 /nfs/dbraw/zinc/32/51/78/997325178.db2.gz DUIHARJSRNACSA-UHFFFAOYSA-N 0 1 397.431 3.237 20 0 GGADMN COc1cc(C[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C2CC2)ccc1OC(F)F ZINC001599406929 997326931 /nfs/dbraw/zinc/32/69/31/997326931.db2.gz OPCBOVMFPHWIPL-RISCZKNCSA-N 0 1 377.334 3.227 20 0 GGADMN COc1cc(C[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)C2CC2)ccc1OC(F)F ZINC001599406930 997327481 /nfs/dbraw/zinc/32/74/81/997327481.db2.gz OPCBOVMFPHWIPL-SMDDNHRTSA-N 0 1 377.334 3.227 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Br)cc1C(=O)[O-] ZINC001599407145 997332612 /nfs/dbraw/zinc/33/26/12/997332612.db2.gz OERLCWQHRJQUAR-VXGBXAGGSA-N 0 1 384.270 3.014 20 0 GGADMN COc1cc(C[N@H+]2CCC23CCOCC3)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407173 997333676 /nfs/dbraw/zinc/33/36/76/997333676.db2.gz IEOVUAFSUFGLCE-UHFFFAOYSA-N 0 1 387.432 3.320 20 0 GGADMN COc1cc(C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC(=O)[O-])cc(OC)c1 ZINC001599407302 997336049 /nfs/dbraw/zinc/33/60/49/997336049.db2.gz YVWXRUIEVYMHNB-UHFFFAOYSA-N 0 1 397.830 3.462 20 0 GGADMN COc1cc(C[N@H+](CCC(F)(F)F)CC(=O)[O-])c(F)cc1Br ZINC001599407270 997336974 /nfs/dbraw/zinc/33/69/74/997336974.db2.gz XQAGIHQARKNUCM-UHFFFAOYSA-N 0 1 388.155 3.436 20 0 GGADMN COc1cc(C[N@@H+](CCC(F)(F)F)CC(=O)[O-])c(F)cc1Br ZINC001599407270 997336987 /nfs/dbraw/zinc/33/69/87/997336987.db2.gz XQAGIHQARKNUCM-UHFFFAOYSA-N 0 1 388.155 3.436 20 0 GGADMN COc1cc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599407429 997346977 /nfs/dbraw/zinc/34/69/77/997346977.db2.gz QUWLWKVIJDTMRZ-LHSJRXKWSA-N 0 1 389.448 3.016 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](O)CC23CCC3)c(Br)cc1C(=O)[O-] ZINC001599407667 997353735 /nfs/dbraw/zinc/35/37/35/997353735.db2.gz OMPCDTAAUCUECY-LBPRGKRZSA-N 0 1 384.270 3.035 20 0 GGADMN COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Br)cc1C(=O)[O-] ZINC001599407986 997363849 /nfs/dbraw/zinc/36/38/49/997363849.db2.gz YQLFELIOSCWMLO-MAZHCROVSA-N 0 1 398.297 3.281 20 0 GGADMN COc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599408025 997364228 /nfs/dbraw/zinc/36/42/28/997364228.db2.gz BPOOJPHXTPBGLP-ZDUSSCGKSA-N 0 1 397.374 3.379 20 0 GGADMN C[C@@]1(CCC(=O)[O-])NC(=O)N(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1=O ZINC001594000914 997365947 /nfs/dbraw/zinc/36/59/47/997365947.db2.gz AMTLUCZJRQZPDM-GCJKJVERSA-N 0 1 395.459 3.110 20 0 GGADMN COc1cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC001599408104 997367015 /nfs/dbraw/zinc/36/70/15/997367015.db2.gz HMFSSSLJYQSWOG-CRAIPNDOSA-N 0 1 385.460 3.435 20 0 GGADMN COC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C1 ZINC001599203927 997369115 /nfs/dbraw/zinc/36/91/15/997369115.db2.gz QMVOIVCNVYPZFW-INIZCTEOSA-N 0 1 389.448 3.424 20 0 GGADMN COc1cc(C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)ccc1OC(=O)C1CC1 ZINC001599408208 997369960 /nfs/dbraw/zinc/36/99/60/997369960.db2.gz OLIBXKHZQMWYRG-UHFFFAOYSA-N 0 1 381.428 3.267 20 0 GGADMN CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])c(Cl)c3)Cc3cccnc3N2C1 ZINC001599100608 997375894 /nfs/dbraw/zinc/37/58/94/997375894.db2.gz PITCVYNCTQZXDQ-HZPDHXFCSA-N 0 1 387.867 3.043 20 0 GGADMN CO[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])c(Cl)c3)Cc3cccnc3N2C1 ZINC001599100608 997375907 /nfs/dbraw/zinc/37/59/07/997375907.db2.gz PITCVYNCTQZXDQ-HZPDHXFCSA-N 0 1 387.867 3.043 20 0 GGADMN COc1cc(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)c(Br)cc1C(=O)[O-] ZINC001599408525 997376714 /nfs/dbraw/zinc/37/67/14/997376714.db2.gz HJDNBXBOWSROFX-MEDUHNTESA-N 0 1 386.311 3.341 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001598913863 997418006 /nfs/dbraw/zinc/41/80/06/997418006.db2.gz FFNVZCTURHUGGW-JTQLQIEISA-N 0 1 384.498 3.094 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001598913864 997418493 /nfs/dbraw/zinc/41/84/93/997418493.db2.gz FFNVZCTURHUGGW-SNVBAGLBSA-N 0 1 384.498 3.094 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC001598914071 997422838 /nfs/dbraw/zinc/42/28/38/997422838.db2.gz LGALSYAGIRRSFL-GFCCVEGCSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001598914071 997422852 /nfs/dbraw/zinc/42/28/52/997422852.db2.gz LGALSYAGIRRSFL-GFCCVEGCSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001598914072 997423066 /nfs/dbraw/zinc/42/30/66/997423066.db2.gz LGALSYAGIRRSFL-LBPRGKRZSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001598914072 997423070 /nfs/dbraw/zinc/42/30/70/997423070.db2.gz LGALSYAGIRRSFL-LBPRGKRZSA-N 0 1 390.461 3.173 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC001598914231 997427895 /nfs/dbraw/zinc/42/78/95/997427895.db2.gz OJOCWNOBWLYPIL-UHFFFAOYSA-N 0 1 396.509 3.380 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@@]1(C)CC(C)C ZINC001598915487 997456817 /nfs/dbraw/zinc/45/68/17/997456817.db2.gz KDZKEKAHSCFLQL-IBGZPJMESA-N 0 1 396.509 3.380 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001594012024 997461794 /nfs/dbraw/zinc/46/17/94/997461794.db2.gz BNEDYJBRXUITLV-YADHBBJMSA-N 0 1 388.508 3.362 20 0 GGADMN COc1cc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599413852 997470205 /nfs/dbraw/zinc/47/02/05/997470205.db2.gz QOKNPVUOKAXVQK-MAUKXSAKSA-N 0 1 397.475 3.028 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)C1 ZINC001594013739 997482939 /nfs/dbraw/zinc/48/29/39/997482939.db2.gz UTRVQUXRCXWNFO-IRXDYDNUSA-N 0 1 394.434 3.363 20 0 GGADMN COc1cc(C[NH2+]Cc2cccnc2F)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599415072 997493091 /nfs/dbraw/zinc/49/30/91/997493091.db2.gz GXZPTPLBLJSARI-UHFFFAOYSA-N 0 1 386.379 3.389 20 0 GGADMN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)cc2c1OCO2 ZINC001599415559 997502220 /nfs/dbraw/zinc/50/22/20/997502220.db2.gz UKRSYYPSPJYAQB-UHFFFAOYSA-N 0 1 394.221 3.174 20 0 GGADMN COc1cc(C[NH2+][C@H](C)c2cncc(C(=O)[O-])c2)c(Br)cc1O ZINC001599415832 997507804 /nfs/dbraw/zinc/50/78/04/997507804.db2.gz GXWOCDADMUWSQH-SECBINFHSA-N 0 1 381.226 3.107 20 0 GGADMN COC(=O)c1cc(Br)oc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC001598919238 997533580 /nfs/dbraw/zinc/53/35/80/997533580.db2.gz VTCJFUSQVCMSHR-UHFFFAOYSA-N 0 1 396.237 3.306 20 0 GGADMN COC(=O)c1cc(Br)oc1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC001598919238 997533585 /nfs/dbraw/zinc/53/35/85/997533585.db2.gz VTCJFUSQVCMSHR-UHFFFAOYSA-N 0 1 396.237 3.306 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001599418285 997548455 /nfs/dbraw/zinc/54/84/55/997548455.db2.gz MUAIOWJTSFPLNT-WWGRRREGSA-N 0 1 380.872 3.171 20 0 GGADMN C[C@]1(CNC(=O)c2ccccc2CCC(=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594026835 997564277 /nfs/dbraw/zinc/56/42/77/997564277.db2.gz HXXZQMZNTVHTAS-HSZRJFAPSA-N 0 1 380.488 3.346 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C(=O)[O-])c(OC)c1 ZINC001599526491 997569130 /nfs/dbraw/zinc/56/91/30/997569130.db2.gz HRXNFXWHZDAVTP-ZJBJCVSYSA-N 0 1 398.503 3.472 20 0 GGADMN COc1ccc([C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C(=O)[O-])c(OC)c1 ZINC001599526491 997569144 /nfs/dbraw/zinc/56/91/44/997569144.db2.gz HRXNFXWHZDAVTP-ZJBJCVSYSA-N 0 1 398.503 3.472 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C(=O)[O-])cc1O ZINC001599527765 997592484 /nfs/dbraw/zinc/59/24/84/997592484.db2.gz PGEWEUBFSRFHCY-JLMWRMLUSA-N 0 1 396.487 3.484 20 0 GGADMN COc1ccc([C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C(=O)[O-])cc1O ZINC001599527765 997592496 /nfs/dbraw/zinc/59/24/96/997592496.db2.gz PGEWEUBFSRFHCY-JLMWRMLUSA-N 0 1 396.487 3.484 20 0 GGADMN C[C@]1(CO)CCC[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594030948 997602910 /nfs/dbraw/zinc/60/29/10/997602910.db2.gz ULZAZISVSINTIM-QGZVFWFLSA-N 0 1 384.263 3.224 20 0 GGADMN CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2nc3ccc(Br)cc3o2)C(=O)[O-])C1 ZINC001599115187 997639523 /nfs/dbraw/zinc/63/95/23/997639523.db2.gz WIUIEODKEVGUHZ-SIVJFFJCSA-N 0 1 397.269 3.338 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2ccc(F)cc2Br)C(=O)[O-])cc1O ZINC001599530624 997645108 /nfs/dbraw/zinc/64/51/08/997645108.db2.gz DMAMBJZADLZHEJ-HNNXBMFYSA-N 0 1 384.201 3.218 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C(=O)[O-])c(OC)c1 ZINC001599530880 997649063 /nfs/dbraw/zinc/64/90/63/997649063.db2.gz HBUOCZHTCYLPPU-QGZVFWFLSA-N 0 1 377.824 3.208 20 0 GGADMN COc1cc(F)c(C[NH+]2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1OC ZINC001599425039 997658521 /nfs/dbraw/zinc/65/85/21/997658521.db2.gz BUBADQADERTHQN-UHFFFAOYSA-N 0 1 380.441 3.377 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2ncc(Br)cc2Cl)C(=O)[O-])cc1 ZINC001599531450 997660214 /nfs/dbraw/zinc/66/02/14/997660214.db2.gz PRWDJPIPIRMKND-AWEZNQCLSA-N 0 1 385.645 3.422 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C2CC2)cc1 ZINC001599531489 997661367 /nfs/dbraw/zinc/66/13/67/997661367.db2.gz QWDWKIPHHBGJCD-IBGZPJMESA-N 0 1 379.416 3.283 20 0 GGADMN COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2Br)C(=O)[O-])cc1O ZINC001599531710 997665579 /nfs/dbraw/zinc/66/55/79/997665579.db2.gz LKVCGHBPYKFKNX-OAHLLOKOSA-N 0 1 384.201 3.218 20 0 GGADMN COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001599221208 997672270 /nfs/dbraw/zinc/67/22/70/997672270.db2.gz XHPJZYAXMFRSTL-AWEZNQCLSA-N 0 1 394.537 3.402 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C(=O)[O-])c(OC)c1 ZINC001599532545 997682626 /nfs/dbraw/zinc/68/26/26/997682626.db2.gz RHWDVCRWTQGNMT-INIZCTEOSA-N 0 1 385.338 3.344 20 0 GGADMN COc1cc(F)cc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)c1 ZINC001599426626 997687443 /nfs/dbraw/zinc/68/74/43/997687443.db2.gz VRIGFMSOKJWRTP-XZSJUEPFSA-N 0 1 393.455 3.089 20 0 GGADMN COc1ccc([C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C(=O)[O-])cc1O ZINC001599532812 997688039 /nfs/dbraw/zinc/68/80/39/997688039.db2.gz SVUYEOKOJYHSET-OAQYLSRUSA-N 0 1 384.476 3.302 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001599535191 997730483 /nfs/dbraw/zinc/73/04/83/997730483.db2.gz GHOXRTJBLAILTR-KDOFPFPSSA-N 0 1 396.443 3.362 20 0 GGADMN COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)cc2)cc(C(=O)[O-])c1 ZINC001598930207 997735040 /nfs/dbraw/zinc/73/50/40/997735040.db2.gz ZOOUXPUZCXJAJA-HNNXBMFYSA-N 0 1 385.460 3.491 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001599535459 997737420 /nfs/dbraw/zinc/73/74/20/997737420.db2.gz SXECODFJXSARKM-SFHVURJKSA-N 0 1 398.459 3.070 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001599535459 997737425 /nfs/dbraw/zinc/73/74/25/997737425.db2.gz SXECODFJXSARKM-SFHVURJKSA-N 0 1 398.459 3.070 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC001599535515 997738769 /nfs/dbraw/zinc/73/87/69/997738769.db2.gz WHPJIDJFECSLEQ-IBGZPJMESA-N 0 1 382.460 3.347 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc(C(=O)[O-])c1 ZINC001598930690 997747070 /nfs/dbraw/zinc/74/70/70/997747070.db2.gz DKSZHNFFIPPEMX-GOSISDBHSA-N 0 1 389.835 3.478 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCCCC[C@H]2C(=O)[O-])c(OC)cc1Cl ZINC001599430892 997756910 /nfs/dbraw/zinc/75/69/10/997756910.db2.gz GAUXLZOBPXOYNK-AWEZNQCLSA-N 0 1 384.860 3.015 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C(=O)[O-])c(OC)cc1Cl ZINC001599430893 997757099 /nfs/dbraw/zinc/75/70/99/997757099.db2.gz GAUXLZOBPXOYNK-CQSZACIVSA-N 0 1 384.860 3.015 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc(C(=O)[O-])c1 ZINC001598931248 997761335 /nfs/dbraw/zinc/76/13/35/997761335.db2.gz ICQOPQZCPJJRHF-JOCHJYFZSA-N 0 1 381.428 3.141 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(OC)cc1Cl ZINC001599431155 997761842 /nfs/dbraw/zinc/76/18/42/997761842.db2.gz KLMJWTRIRWCBOJ-ZDUSSCGKSA-N 0 1 398.887 3.263 20 0 GGADMN COc1c(C)[nH]cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1=O ZINC001599331877 997761817 /nfs/dbraw/zinc/76/18/17/997761817.db2.gz WQQXJFLNYKUXMT-AWEZNQCLSA-N 0 1 385.247 3.256 20 0 GGADMN COc1c(C)[nH]cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1=O ZINC001599331877 997761825 /nfs/dbraw/zinc/76/18/25/997761825.db2.gz WQQXJFLNYKUXMT-AWEZNQCLSA-N 0 1 385.247 3.256 20 0 GGADMN COc1ccc(C2=NO[C@H](C[NH2+][C@H](C)c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001599537316 997767269 /nfs/dbraw/zinc/76/72/69/997767269.db2.gz NTSNKDGUOWUMDG-YPMHNXCESA-N 0 1 375.450 3.002 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)c3cncc(C(=O)[O-])c3)CCC[N@H+]2C)cc1 ZINC001599537484 997769636 /nfs/dbraw/zinc/76/96/36/997769636.db2.gz NYAQDBNECOUGAV-KXBFYZLASA-N 0 1 384.432 3.028 20 0 GGADMN C[C@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCC[C@@H]1C(=O)[O-] ZINC001594053432 997771443 /nfs/dbraw/zinc/77/14/43/997771443.db2.gz VBEZCRKRLABLNI-KNKQGSTJSA-N 0 1 384.520 3.438 20 0 GGADMN COc1cc(NC(=O)CC[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(OC)cc1Cl ZINC001599431980 997774289 /nfs/dbraw/zinc/77/42/89/997774289.db2.gz YDHDIWMVUZEQSN-APWZRJJASA-N 0 1 396.871 3.015 20 0 GGADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(C(=O)[O-])ccn3)CCC[N@H+]2C)cc1 ZINC001599537711 997775169 /nfs/dbraw/zinc/77/51/69/997775169.db2.gz RQKPTSYTKWWMFU-VQIMIIECSA-N 0 1 384.432 3.028 20 0 GGADMN COc1ccc([C@H]2[C@H](COC(=O)Cc3cccc(C(=O)[O-])c3)CC[N@H+]2C)cc1 ZINC001599538064 997781419 /nfs/dbraw/zinc/78/14/19/997781419.db2.gz VHZYKOAJRUQHGL-RXVVDRJESA-N 0 1 383.444 3.172 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001599538231 997783517 /nfs/dbraw/zinc/78/35/17/997783517.db2.gz CGKPYNAAMHFALH-NBCNXNJRSA-N 0 1 388.508 3.182 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc(C(=O)[O-])c1 ZINC001598932210 997783927 /nfs/dbraw/zinc/78/39/27/997783927.db2.gz GNMGWBNIXFYALS-IRXDYDNUSA-N 0 1 389.473 3.321 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1 ZINC001598932494 997790452 /nfs/dbraw/zinc/79/04/52/997790452.db2.gz JKMGSMJOUJXDDG-GUDVDZBRSA-N 0 1 375.465 3.077 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1 ZINC001598932497 997791056 /nfs/dbraw/zinc/79/10/56/997791056.db2.gz JKMGSMJOUJXDDG-IPMKNSEASA-N 0 1 375.465 3.077 20 0 GGADMN COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccoc3C(=O)[O-])CC2)c1C ZINC001599333876 997798096 /nfs/dbraw/zinc/79/80/96/997798096.db2.gz LSNKURBZLDGRDV-UHFFFAOYSA-N 0 1 387.480 3.095 20 0 GGADMN COc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C(=O)[O-])cc1OC ZINC001599433480 997801312 /nfs/dbraw/zinc/80/13/12/997801312.db2.gz UHXUBJVQXSWNCW-QGZVFWFLSA-N 0 1 392.839 3.297 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)C(C)(C)CC(=O)[O-])cc1 ZINC001599539295 997804202 /nfs/dbraw/zinc/80/42/02/997804202.db2.gz RNWHLDAVNXCDKO-SFHVURJKSA-N 0 1 376.497 3.324 20 0 GGADMN COc1nsc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1C(=O)[O-] ZINC001599539360 997805897 /nfs/dbraw/zinc/80/58/97/997805897.db2.gz GFQFQIQYDICMOX-GFCCVEGCSA-N 0 1 378.450 3.204 20 0 GGADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)cc(C(=O)[O-])c1 ZINC001598933129 997806754 /nfs/dbraw/zinc/80/67/54/997806754.db2.gz QUGGGBPGZJYPFF-LJQANCHMSA-N 0 1 383.444 3.387 20 0 GGADMN CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1(C)C ZINC001599124340 997808309 /nfs/dbraw/zinc/80/83/09/997808309.db2.gz CTKQIIRCAVTXIM-CQSZACIVSA-N 0 1 380.510 3.011 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1(C)C ZINC001599124340 997808313 /nfs/dbraw/zinc/80/83/13/997808313.db2.gz CTKQIIRCAVTXIM-CQSZACIVSA-N 0 1 380.510 3.011 20 0 GGADMN COc1c(C)c[nH+]c(CN(C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c1C ZINC001599334443 997809703 /nfs/dbraw/zinc/80/97/03/997809703.db2.gz XDZBCFXRLSRYPD-ZDUSSCGKSA-N 0 1 391.493 3.234 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001599539645 997811992 /nfs/dbraw/zinc/81/19/92/997811992.db2.gz ZGTWGIWDCPCQOF-VQTJNVASSA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001599539645 997812002 /nfs/dbraw/zinc/81/20/02/997812002.db2.gz ZGTWGIWDCPCQOF-VQTJNVASSA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001599539643 997812185 /nfs/dbraw/zinc/81/21/85/997812185.db2.gz ZGTWGIWDCPCQOF-UXHICEINSA-N 0 1 388.508 3.468 20 0 GGADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001599539643 997812191 /nfs/dbraw/zinc/81/21/91/997812191.db2.gz ZGTWGIWDCPCQOF-UXHICEINSA-N 0 1 388.508 3.468 20 0 GGADMN COc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599434639 997821116 /nfs/dbraw/zinc/82/11/16/997821116.db2.gz ZRPGDNGJWFQRFA-KRWDZBQOSA-N 0 1 397.475 3.379 20 0 GGADMN COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC001599231244 997859345 /nfs/dbraw/zinc/85/93/45/997859345.db2.gz OOYJDRHTZPXHSO-UHFFFAOYSA-N 0 1 391.512 3.296 20 0 GGADMN COc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599437059 997865578 /nfs/dbraw/zinc/86/55/78/997865578.db2.gz GBJZHDHISGZYKT-KRWDZBQOSA-N 0 1 397.475 3.080 20 0 GGADMN COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001599543965 997891841 /nfs/dbraw/zinc/89/18/41/997891841.db2.gz PSAWNKFOSPJSQA-XSFOEPMVSA-N 0 1 381.428 3.221 20 0 GGADMN COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001599543963 997892478 /nfs/dbraw/zinc/89/24/78/997892478.db2.gz PSAWNKFOSPJSQA-LNENJAERSA-N 0 1 381.428 3.221 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@@H]1CC[C@@H](C)C1 ZINC001599233154 997899246 /nfs/dbraw/zinc/89/92/46/997899246.db2.gz DVMQGFOOQMGWEA-CHWSQXEVSA-N 0 1 380.510 3.011 20 0 GGADMN COc1c(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599339898 997904485 /nfs/dbraw/zinc/90/44/85/997904485.db2.gz MRFVURJVVBBFIQ-QGZVFWFLSA-N 0 1 397.475 3.174 20 0 GGADMN COCC[N@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccc(C)cc1C ZINC001599233662 997907983 /nfs/dbraw/zinc/90/79/83/997907983.db2.gz SWSANUPRHDPTIC-UHFFFAOYSA-N 0 1 384.476 3.397 20 0 GGADMN COCC[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccc(C)cc1C ZINC001599233662 997907991 /nfs/dbraw/zinc/90/79/91/997907991.db2.gz SWSANUPRHDPTIC-UHFFFAOYSA-N 0 1 384.476 3.397 20 0 GGADMN COc1c(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599340227 997909260 /nfs/dbraw/zinc/90/92/60/997909260.db2.gz HLIWMTLXZXMQOK-WBVHZDCISA-N 0 1 397.475 3.426 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)cc(C(=O)[O-])c1 ZINC001598938939 997925202 /nfs/dbraw/zinc/92/52/02/997925202.db2.gz HCISNAREFPZUDA-GOSISDBHSA-N 0 1 388.464 3.155 20 0 GGADMN COc1c(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC001599341191 997925444 /nfs/dbraw/zinc/92/54/44/997925444.db2.gz PYIDWRWIUYJPON-ZBFHGGJFSA-N 0 1 383.448 3.178 20 0 GGADMN COc1c(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ncnc1C(=O)[O-] ZINC001599341953 997936836 /nfs/dbraw/zinc/93/68/36/997936836.db2.gz BSNCHJRXEUKMEK-CYBMUJFWSA-N 0 1 394.834 3.225 20 0 GGADMN COc1c(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ncnc1C(=O)[O-] ZINC001599341956 997937325 /nfs/dbraw/zinc/93/73/25/997937325.db2.gz BSNCHJRXEUKMEK-ZDUSSCGKSA-N 0 1 394.834 3.225 20 0 GGADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001598939889 997945940 /nfs/dbraw/zinc/94/59/40/997945940.db2.gz UCBBPVVJZNWJRO-IBGZPJMESA-N 0 1 396.443 3.255 20 0 GGADMN COCC[N@@H+](CCC(=O)[O-])Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001599236517 997954773 /nfs/dbraw/zinc/95/47/73/997954773.db2.gz DXGOZCJBZMVXDD-UHFFFAOYSA-N 0 1 389.402 3.203 20 0 GGADMN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(/C=C/C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443049 997961803 /nfs/dbraw/zinc/96/18/03/997961803.db2.gz MRTUPQHMCKRTNI-KIUWMYQTSA-N 0 1 386.448 3.471 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(/C=C\C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443052 997961923 /nfs/dbraw/zinc/96/19/23/997961923.db2.gz MRTUPQHMCKRTNI-ZPIQOJFGSA-N 0 1 386.448 3.471 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(/C=C/C(=O)[O-])o3)C2)cc(OC)c1 ZINC001599443051 997962256 /nfs/dbraw/zinc/96/22/56/997962256.db2.gz MRTUPQHMCKRTNI-MVGZEHJDSA-N 0 1 386.448 3.471 20 0 GGADMN CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599132175 997968005 /nfs/dbraw/zinc/96/80/05/997968005.db2.gz QUWPGCWEBNHEKJ-DENIHFKCSA-N 0 1 398.459 3.372 20 0 GGADMN COCC[N@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599237258 997968472 /nfs/dbraw/zinc/96/84/72/997968472.db2.gz RWQVQGRFTTWRDF-UHFFFAOYSA-N 0 1 390.505 3.193 20 0 GGADMN COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599237258 997968480 /nfs/dbraw/zinc/96/84/80/997968480.db2.gz RWQVQGRFTTWRDF-UHFFFAOYSA-N 0 1 390.505 3.193 20 0 GGADMN CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC001594084233 997990046 /nfs/dbraw/zinc/99/00/46/997990046.db2.gz AJMWQENXZNPGAY-UHFFFAOYSA-N 0 1 385.370 3.487 20 0 GGADMN COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001599238414 997990552 /nfs/dbraw/zinc/99/05/52/997990552.db2.gz LSBAORYDUCDNIW-UHFFFAOYSA-N 0 1 399.413 3.403 20 0 GGADMN COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001599238414 997990563 /nfs/dbraw/zinc/99/05/63/997990563.db2.gz LSBAORYDUCDNIW-UHFFFAOYSA-N 0 1 399.413 3.403 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001599550428 997996997 /nfs/dbraw/zinc/99/69/97/997996997.db2.gz NGFGHRSGXJOGGH-INIZCTEOSA-N 0 1 384.476 3.167 20 0 GGADMN COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001599550431 997997195 /nfs/dbraw/zinc/99/71/95/997997195.db2.gz NGFGHRSGXJOGGH-MRXNPFEDSA-N 0 1 384.476 3.167 20 0 GGADMN CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001594084946 997999131 /nfs/dbraw/zinc/99/91/31/997999131.db2.gz YHWZXXUUPFWMDL-UHFFFAOYSA-N 0 1 385.370 3.487 20 0 GGADMN C[C@]12CN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594087516 998016586 /nfs/dbraw/zinc/01/65/86/998016586.db2.gz HVWNDTDEZDYMBZ-JFSTXAPLSA-N 0 1 384.520 3.248 20 0 GGADMN COc1cc(OC)c(NC(=O)CC[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1Cl ZINC001599448297 998046572 /nfs/dbraw/zinc/04/65/72/998046572.db2.gz OQGIWVHQMKFMLE-AWEZNQCLSA-N 0 1 384.860 3.015 20 0 GGADMN COc1ccc(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001599553328 998046858 /nfs/dbraw/zinc/04/68/58/998046858.db2.gz VEWMBDOCDWIGMJ-KRWDZBQOSA-N 0 1 382.460 3.429 20 0 GGADMN COc1ccc(CC2CC[NH+](CC(=O)Nc3ccsc3C(=O)[O-])CC2)cc1 ZINC001599553419 998049542 /nfs/dbraw/zinc/04/95/42/998049542.db2.gz ZONHQSPQRUMRLA-UHFFFAOYSA-N 0 1 388.489 3.348 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001599450411 998084466 /nfs/dbraw/zinc/08/44/66/998084466.db2.gz FDMXQXOGOCGCTE-IFXJQAMLSA-N 0 1 390.505 3.270 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001599450410 998084882 /nfs/dbraw/zinc/08/48/82/998084882.db2.gz FDMXQXOGOCGCTE-AUUYWEPGSA-N 0 1 390.505 3.270 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001599450937 998096292 /nfs/dbraw/zinc/09/62/92/998096292.db2.gz OUHUXGPSKXWRAD-VGOFRKELSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001599450937 998096299 /nfs/dbraw/zinc/09/62/99/998096299.db2.gz OUHUXGPSKXWRAD-VGOFRKELSA-N 0 1 398.503 3.283 20 0 GGADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001599450937 998096311 /nfs/dbraw/zinc/09/63/11/998096311.db2.gz OUHUXGPSKXWRAD-VGOFRKELSA-N 0 1 398.503 3.283 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)O1 ZINC001594099659 998099894 /nfs/dbraw/zinc/09/98/94/998099894.db2.gz GQAROLZHSATNDH-BTYIYWSLSA-N 0 1 396.528 3.397 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)O1 ZINC001594100750 998111961 /nfs/dbraw/zinc/11/19/61/998111961.db2.gz VSVICCJBDLYKJU-KRWDZBQOSA-N 0 1 375.856 3.223 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)O1 ZINC001594100750 998111965 /nfs/dbraw/zinc/11/19/65/998111965.db2.gz VSVICCJBDLYKJU-KRWDZBQOSA-N 0 1 375.856 3.223 20 0 GGADMN COc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(OC)c1OC ZINC001599558310 998134749 /nfs/dbraw/zinc/13/47/49/998134749.db2.gz FFHSWQRPQVUDGF-MRXNPFEDSA-N 0 1 399.365 3.387 20 0 GGADMN COc1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(OC)c1OC ZINC001599558310 998134755 /nfs/dbraw/zinc/13/47/55/998134755.db2.gz FFHSWQRPQVUDGF-MRXNPFEDSA-N 0 1 399.365 3.387 20 0 GGADMN COc1cc(OC)cc([C@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453981 998156006 /nfs/dbraw/zinc/15/60/06/998156006.db2.gz UKXDIPJNRHKHTG-JTHBVZDNSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453981 998156011 /nfs/dbraw/zinc/15/60/11/998156011.db2.gz UKXDIPJNRHKHTG-JTHBVZDNSA-N 0 1 398.503 3.331 20 0 GGADMN COc1cc(OC)cc([C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599453981 998156018 /nfs/dbraw/zinc/15/60/18/998156018.db2.gz UKXDIPJNRHKHTG-JTHBVZDNSA-N 0 1 398.503 3.331 20 0 GGADMN COc1ccc(C[N@@H+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC2CC2)c(OC)c1 ZINC001599559193 998156465 /nfs/dbraw/zinc/15/64/65/998156465.db2.gz ZBTQYMWKENBLJX-UHFFFAOYSA-N 0 1 386.448 3.133 20 0 GGADMN COc1ccc(C[N@H+](CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC2CC2)c(OC)c1 ZINC001599559193 998156472 /nfs/dbraw/zinc/15/64/72/998156472.db2.gz ZBTQYMWKENBLJX-UHFFFAOYSA-N 0 1 386.448 3.133 20 0 GGADMN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)c1 ZINC001599454158 998159729 /nfs/dbraw/zinc/15/97/29/998159729.db2.gz ZCGULAIACKDSEH-UHFFFAOYSA-N 0 1 377.412 3.442 20 0 GGADMN COc1cc(OC)cc(N2CCC[N@@H+](Cc3cc(C(=O)[O-])cs3)CC2)c1 ZINC001599455352 998178940 /nfs/dbraw/zinc/17/89/40/998178940.db2.gz YMEYGUVGJUXSQQ-UHFFFAOYSA-N 0 1 376.478 3.176 20 0 GGADMN COc1ccc(C[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)c(Cl)c1OC ZINC001599560399 998181032 /nfs/dbraw/zinc/18/10/32/998181032.db2.gz IRMOKDWFXZJRBG-UHFFFAOYSA-N 0 1 380.828 3.423 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)CC2)cc1 ZINC001599561617 998209141 /nfs/dbraw/zinc/20/91/41/998209141.db2.gz NNZZOCQJMUXNNS-UHFFFAOYSA-N 0 1 381.885 3.216 20 0 GGADMN COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599561948 998213979 /nfs/dbraw/zinc/21/39/79/998213979.db2.gz ZIJPRGXVSOZYRN-HNNXBMFYSA-N 0 1 388.851 3.051 20 0 GGADMN COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599561948 998213988 /nfs/dbraw/zinc/21/39/88/998213988.db2.gz ZIJPRGXVSOZYRN-HNNXBMFYSA-N 0 1 388.851 3.051 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)C(=O)[O-])cc1SC(F)(F)F ZINC001599562564 998226936 /nfs/dbraw/zinc/22/69/36/998226936.db2.gz GCLMSTQSORWYTF-ABAIWWIYSA-N 0 1 379.400 3.371 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])cc1 ZINC001599564533 998261637 /nfs/dbraw/zinc/26/16/37/998261637.db2.gz MIYJPPDUUDEPGM-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])cc1 ZINC001599564533 998261648 /nfs/dbraw/zinc/26/16/48/998261648.db2.gz MIYJPPDUUDEPGM-QGZVFWFLSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC001599567779 998314947 /nfs/dbraw/zinc/31/49/47/998314947.db2.gz MWDCLQHGYLVXGS-CRAIPNDOSA-N 0 1 397.475 3.028 20 0 GGADMN COc1cc2c(cc1C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)OCO2 ZINC001599463889 998323919 /nfs/dbraw/zinc/32/39/19/998323919.db2.gz ZOTBQAUKNWZPCH-UHFFFAOYSA-N 0 1 379.359 3.179 20 0 GGADMN COc1cc2c(cc1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)OCO2 ZINC001599463889 998323926 /nfs/dbraw/zinc/32/39/26/998323926.db2.gz ZOTBQAUKNWZPCH-UHFFFAOYSA-N 0 1 379.359 3.179 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC001598962069 998351207 /nfs/dbraw/zinc/35/12/07/998351207.db2.gz YGYXLFIOHPBHHD-CYBMUJFWSA-N 0 1 388.464 3.177 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC001598962069 998351216 /nfs/dbraw/zinc/35/12/16/998351216.db2.gz YGYXLFIOHPBHHD-CYBMUJFWSA-N 0 1 388.464 3.177 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])o1 ZINC001599466411 998369147 /nfs/dbraw/zinc/36/91/47/998369147.db2.gz BCFUBSHIBSVMIF-HNNXBMFYSA-N 0 1 399.472 3.291 20 0 GGADMN COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])o1 ZINC001599466411 998369156 /nfs/dbraw/zinc/36/91/56/998369156.db2.gz BCFUBSHIBSVMIF-HNNXBMFYSA-N 0 1 399.472 3.291 20 0 GGADMN COc1ccc(C[NH2+][C@](C)(CC(=O)[O-])c2ccncc2)c(Br)c1O ZINC001599571329 998370969 /nfs/dbraw/zinc/37/09/69/998370969.db2.gz PLWPJHMVHAUYFU-QGZVFWFLSA-N 0 1 395.253 3.038 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001599369882 998393211 /nfs/dbraw/zinc/39/32/11/998393211.db2.gz BNHLCDLDWVTRIH-OAHLLOKOSA-N 0 1 383.448 3.304 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001599369891 998393725 /nfs/dbraw/zinc/39/37/25/998393725.db2.gz BXVIIEHCVJPIIK-INIZCTEOSA-N 0 1 397.475 3.379 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001598965038 998400618 /nfs/dbraw/zinc/40/06/18/998400618.db2.gz GSCLBGOEGLSPRX-ZFWWWQNUSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC001598965462 998409720 /nfs/dbraw/zinc/40/97/20/998409720.db2.gz OMTBLEMTVAQHPU-GJZGRUSLSA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC001598965461 998410121 /nfs/dbraw/zinc/41/01/21/998410121.db2.gz OMTBLEMTVAQHPU-CABCVRRESA-N 0 1 390.480 3.257 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC001598965464 998410522 /nfs/dbraw/zinc/41/05/22/998410522.db2.gz OMTBLEMTVAQHPU-LSDHHAIUSA-N 0 1 390.480 3.257 20 0 GGADMN COC[C@@H](C)Oc1ccc(C[N@@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1 ZINC001599158297 998412077 /nfs/dbraw/zinc/41/20/77/998412077.db2.gz DXMGBSVXIDNRKA-OAHLLOKOSA-N 0 1 385.460 3.365 20 0 GGADMN COC[C@@H](C)Oc1ccc(C[N@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1 ZINC001599158297 998412088 /nfs/dbraw/zinc/41/20/88/998412088.db2.gz DXMGBSVXIDNRKA-OAHLLOKOSA-N 0 1 385.460 3.365 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CC(C)C)CC1 ZINC001598965536 998412083 /nfs/dbraw/zinc/41/20/83/998412083.db2.gz GTFBOQUJFGOJJH-AWEZNQCLSA-N 0 1 390.480 3.257 20 0 GGADMN COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599468940 998416391 /nfs/dbraw/zinc/41/63/91/998416391.db2.gz WQASVAICPFQDCJ-QHCPKHFHSA-N 0 1 396.487 3.339 20 0 GGADMN COc1ccc(-c2cnc(C[NH+]3CCC(c4cc(C(=O)[O-])on4)CC3)o2)cc1 ZINC001599468989 998416806 /nfs/dbraw/zinc/41/68/06/998416806.db2.gz YRYOIRNDBGVTCG-UHFFFAOYSA-N 0 1 383.404 3.416 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001594140234 998431960 /nfs/dbraw/zinc/43/19/60/998431960.db2.gz FBDFFEODGXDLCH-QMMLZNLJSA-N 0 1 398.478 3.349 20 0 GGADMN COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001599372758 998436843 /nfs/dbraw/zinc/43/68/43/998436843.db2.gz BRINHIZPFJUDCL-MRXNPFEDSA-N 0 1 375.469 3.312 20 0 GGADMN COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599471447 998457442 /nfs/dbraw/zinc/45/74/42/998457442.db2.gz JNDKNJFCOWESOS-WCFLWFBJSA-N 0 1 399.369 3.391 20 0 GGADMN COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001599471447 998457451 /nfs/dbraw/zinc/45/74/51/998457451.db2.gz JNDKNJFCOWESOS-WCFLWFBJSA-N 0 1 399.369 3.391 20 0 GGADMN COc1ccc(Br)c([C@@H](C(=O)[O-])[N@@H+](C)CCc2ccncc2)c1 ZINC001599474694 998509803 /nfs/dbraw/zinc/50/98/03/998509803.db2.gz CWRMYDHVNAGXNJ-INIZCTEOSA-N 0 1 379.254 3.153 20 0 GGADMN COc1ccc(Br)c([C@H](C(=O)[O-])[N@@H+](C)CCc2ccncc2)c1 ZINC001599474695 998509965 /nfs/dbraw/zinc/50/99/65/998509965.db2.gz CWRMYDHVNAGXNJ-MRXNPFEDSA-N 0 1 379.254 3.153 20 0 GGADMN COc1ccc(Br)c(C[N@@H+]2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1 ZINC001599475267 998520354 /nfs/dbraw/zinc/52/03/54/998520354.db2.gz LMHJQICNBUYHJB-HGGPSHQYSA-N 0 1 384.270 3.053 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1 ZINC001599475267 998520358 /nfs/dbraw/zinc/52/03/58/998520358.db2.gz LMHJQICNBUYHJB-HGGPSHQYSA-N 0 1 384.270 3.053 20 0 GGADMN COc1ccc(Br)c([C@@H](C(=O)[O-])[N@@H+](C)CCC[C@H]2CCOC2)c1 ZINC001599475390 998522923 /nfs/dbraw/zinc/52/29/23/998522923.db2.gz XSDJAJGYEBXVME-LRDDRELGSA-N 0 1 386.286 3.332 20 0 GGADMN COc1ccc(Br)c(C[NH2+][C@@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001599475605 998526390 /nfs/dbraw/zinc/52/63/90/998526390.db2.gz WMWHWFSBHMDHLQ-KRWDZBQOSA-N 0 1 379.254 3.332 20 0 GGADMN COc1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1 ZINC001599476195 998535756 /nfs/dbraw/zinc/53/57/56/998535756.db2.gz IRVDNJOBHAEFBH-UHFFFAOYSA-N 0 1 385.645 3.494 20 0 GGADMN COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC001598972229 998539090 /nfs/dbraw/zinc/53/90/90/998539090.db2.gz NDZHOXRNCJAJMY-UHFFFAOYSA-N 0 1 377.824 3.222 20 0 GGADMN COc1ccc(F)c(CN2CC[NH+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599581587 998540011 /nfs/dbraw/zinc/54/00/11/998540011.db2.gz VIBGRIBWATZIBB-LJQANCHMSA-N 0 1 392.858 3.431 20 0 GGADMN COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2OC)n1C ZINC001598972555 998543588 /nfs/dbraw/zinc/54/35/88/998543588.db2.gz DCOVXNZYCOLGTQ-KRWDZBQOSA-N 0 1 386.448 3.246 20 0 GGADMN COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2OC)n1C ZINC001598972555 998543598 /nfs/dbraw/zinc/54/35/98/998543598.db2.gz DCOVXNZYCOLGTQ-KRWDZBQOSA-N 0 1 386.448 3.246 20 0 GGADMN COc1ccc(F)cc1-c1cncc(C[N@H+]2CCSC[C@@H](C(=O)[O-])C2)c1 ZINC001599582162 998549118 /nfs/dbraw/zinc/54/91/18/998549118.db2.gz LFMDZBDLOQSKSW-HNNXBMFYSA-N 0 1 376.453 3.146 20 0 GGADMN COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001598975252 998591176 /nfs/dbraw/zinc/59/11/76/998591176.db2.gz DRHCHFZSEMTWHQ-NEPJUHHUSA-N 0 1 379.762 3.212 20 0 GGADMN COC(=O)c1ccc(Cl)c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001598975252 998591185 /nfs/dbraw/zinc/59/11/85/998591185.db2.gz DRHCHFZSEMTWHQ-NEPJUHHUSA-N 0 1 379.762 3.212 20 0 GGADMN COC(=O)c1ccc(C[NH2+]Cc2csc(C(=O)[O-])c2)c(Br)c1 ZINC001598975857 998599827 /nfs/dbraw/zinc/59/98/27/998599827.db2.gz SMYJGUDRPDAUSF-UHFFFAOYSA-N 0 1 384.251 3.285 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC001594162976 998611114 /nfs/dbraw/zinc/61/11/14/998611114.db2.gz WINCOLFENORJRI-WIYYLYMNSA-N 0 1 380.488 3.053 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001594165772 998618980 /nfs/dbraw/zinc/61/89/80/998618980.db2.gz GJJYBLKFVXIEIF-OXQOHEQNSA-N 0 1 382.460 3.389 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166050 998622772 /nfs/dbraw/zinc/62/27/72/998622772.db2.gz MWNMFBAICDFOFU-NEPJUHHUSA-N 0 1 384.461 3.025 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC001594166050 998622774 /nfs/dbraw/zinc/62/27/74/998622774.db2.gz MWNMFBAICDFOFU-NEPJUHHUSA-N 0 1 384.461 3.025 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001594166324 998627673 /nfs/dbraw/zinc/62/76/73/998627673.db2.gz RZIBSOCDEHENAO-QAPCUYQASA-N 0 1 396.491 3.263 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001594166323 998627867 /nfs/dbraw/zinc/62/78/67/998627867.db2.gz RZIBSOCDEHENAO-MAUKXSAKSA-N 0 1 396.491 3.263 20 0 GGADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001594166624 998633586 /nfs/dbraw/zinc/63/35/86/998633586.db2.gz YXUAAHFJQBSSAT-RDJZCZTQSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001594166623 998633594 /nfs/dbraw/zinc/63/35/94/998633594.db2.gz YXUAAHFJQBSSAT-NVXWUHKLSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001594166625 998633863 /nfs/dbraw/zinc/63/38/63/998633863.db2.gz YXUAAHFJQBSSAT-WBVHZDCISA-N 0 1 380.444 3.041 20 0 GGADMN COC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC001598979285 998639753 /nfs/dbraw/zinc/63/97/53/998639753.db2.gz ZOWWFPYULGQVTJ-MRXNPFEDSA-N 0 1 396.443 3.022 20 0 GGADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC001594168239 998649030 /nfs/dbraw/zinc/64/90/30/998649030.db2.gz UYTPXZBSBQZVBN-OXJNMPFZSA-N 0 1 376.460 3.288 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594176003 998676493 /nfs/dbraw/zinc/67/64/93/998676493.db2.gz CZSPMYLAABFCDM-GVDBMIGSSA-N 0 1 396.491 3.224 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001594176590 998679394 /nfs/dbraw/zinc/67/93/94/998679394.db2.gz IUOZEXDLVAZJBO-KURKYZTESA-N 0 1 395.503 3.307 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001594176565 998679575 /nfs/dbraw/zinc/67/95/75/998679575.db2.gz IHUQZXOEFGOQLA-ARFHVFGLSA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC001594176658 998680327 /nfs/dbraw/zinc/68/03/27/998680327.db2.gz KIAJQXQSKWCOFQ-OKZBNKHCSA-N 0 1 380.488 3.437 20 0 GGADMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001594176928 998683591 /nfs/dbraw/zinc/68/35/91/998683591.db2.gz ORGBMQHSEKZPGD-ARFHVFGLSA-N 0 1 382.464 3.295 20 0 GGADMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001594176973 998684196 /nfs/dbraw/zinc/68/41/96/998684196.db2.gz PNUGRMRLRVHXEM-LJCCNALRSA-N 0 1 387.524 3.180 20 0 GGADMN COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1c3ccccc3[nH]c1C(=O)[O-])C2 ZINC001598990507 998732631 /nfs/dbraw/zinc/73/26/31/998732631.db2.gz QXHDZBKKGLBAKD-UHFFFAOYSA-N 0 1 380.400 3.047 20 0 GGADMN C[C@H]1[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001594190554 998740430 /nfs/dbraw/zinc/74/04/30/998740430.db2.gz JDRMGVTUZYUGTC-YWZLYKJASA-N 0 1 379.460 3.073 20 0 GGADMN COC(=O)c1cccc([C@H]([NH2+][C@H](CN2CCCC2)c2ccccc2)C(=O)[O-])c1 ZINC001598992994 998753833 /nfs/dbraw/zinc/75/38/33/998753833.db2.gz AQZIFEBHZNFZJC-UXHICEINSA-N 0 1 382.460 3.026 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994054 998762646 /nfs/dbraw/zinc/76/26/46/998762646.db2.gz BKAPGGNZWVNAKM-ZWKOTPCHSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC001598994054 998762651 /nfs/dbraw/zinc/76/26/51/998762651.db2.gz BKAPGGNZWVNAKM-ZWKOTPCHSA-N 0 1 389.835 3.406 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)c1 ZINC001598994265 998764650 /nfs/dbraw/zinc/76/46/50/998764650.db2.gz CBWHLYRFQOKHLI-PKOBYXMFSA-N 0 1 399.491 3.430 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC001598995282 998773954 /nfs/dbraw/zinc/77/39/54/998773954.db2.gz HBOCBBCQWYERBL-FQEVSTJZSA-N 0 1 378.428 3.460 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCCn3c(cc4ccccc43)C2)c1 ZINC001598995282 998773956 /nfs/dbraw/zinc/77/39/56/998773956.db2.gz HBOCBBCQWYERBL-FQEVSTJZSA-N 0 1 378.428 3.460 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001598995600 998777138 /nfs/dbraw/zinc/77/71/38/998777138.db2.gz ILBNRKXMRWKDNA-LPHOPBHVSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995600 998777141 /nfs/dbraw/zinc/77/71/41/998777141.db2.gz ILBNRKXMRWKDNA-LPHOPBHVSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001598995600 998777146 /nfs/dbraw/zinc/77/71/46/998777146.db2.gz ILBNRKXMRWKDNA-LPHOPBHVSA-N 0 1 385.464 3.325 20 0 GGADMN COC(=O)c1cccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1Cl ZINC001598995712 998777855 /nfs/dbraw/zinc/77/78/55/998777855.db2.gz LOWAHEAUIOGJBQ-MNOVXSKESA-N 0 1 379.762 3.212 20 0 GGADMN COC(=O)c1cccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1Cl ZINC001598995712 998777858 /nfs/dbraw/zinc/77/78/58/998777858.db2.gz LOWAHEAUIOGJBQ-MNOVXSKESA-N 0 1 379.762 3.212 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC001598996077 998780873 /nfs/dbraw/zinc/78/08/73/998780873.db2.gz LOCWCUHVYLWZFC-SIKLNZKXSA-N 0 1 381.428 3.120 20 0 GGADMN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](c3ccc(OC)c(F)c3)C2)c1 ZINC001598997489 998792927 /nfs/dbraw/zinc/79/29/27/998792927.db2.gz SQCRKTFTFPUORZ-APWZRJJASA-N 0 1 387.407 3.236 20 0 GGADMN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+](C)Cc2ccc(OC)c(Cl)c2)c1 ZINC001598998138 998799611 /nfs/dbraw/zinc/79/96/11/998799611.db2.gz XLGSDWPGANWROB-QGZVFWFLSA-N 0 1 377.824 3.393 20 0 GGADMN COC(=O)c1cccc([C@@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000333 998818603 /nfs/dbraw/zinc/81/86/03/998818603.db2.gz YJJLYQZQAGHZBD-NFBKMPQASA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000333 998818606 /nfs/dbraw/zinc/81/86/06/998818606.db2.gz YJJLYQZQAGHZBD-NFBKMPQASA-N 0 1 396.487 3.101 20 0 GGADMN COC(=O)c1cccc([C@@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC001599000333 998818609 /nfs/dbraw/zinc/81/86/09/998818609.db2.gz YJJLYQZQAGHZBD-NFBKMPQASA-N 0 1 396.487 3.101 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001594226878 998868943 /nfs/dbraw/zinc/86/89/43/998868943.db2.gz RRNSXTKVPJSSLU-IYBDPMFKSA-N 0 1 377.485 3.030 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001594227151 998871118 /nfs/dbraw/zinc/87/11/18/998871118.db2.gz WBPCHPITLGJGHT-IYBDPMFKSA-N 0 1 387.524 3.209 20 0 GGADMN COC(=O)c1cnc([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)C2)s1 ZINC001599008710 998877657 /nfs/dbraw/zinc/87/76/57/998877657.db2.gz CATNBTMNQLOPFM-DOMZBBRYSA-N 0 1 378.425 3.074 20 0 GGADMN COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3Cl)C2)s1 ZINC001599009532 998885503 /nfs/dbraw/zinc/88/55/03/998885503.db2.gz OVFKCYUIYAKOEP-NSHDSACASA-N 0 1 380.853 3.271 20 0 GGADMN 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C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001594458217 999664163 /nfs/dbraw/zinc/66/41/63/999664163.db2.gz FYVBJOPGDWJJJP-ZJJGVRJWSA-N 0 1 388.508 3.131 20 0 GGADMN CC(C)(C)c1ncc(C[NH2+][C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])s1 ZINC000277235181 1126078343 /nfs/dbraw/zinc/07/83/43/1126078343.db2.gz IUMJGRSBTCEYFL-HNNXBMFYSA-N 0 1 376.478 3.117 20 0 GGADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)s1 ZINC000281961248 1126079229 /nfs/dbraw/zinc/07/92/29/1126079229.db2.gz JIKGQCMCKISHIB-GDBMZVCRSA-N 0 1 393.509 3.064 20 0 GGADMN COc1ccc(OCc2nc(CN[C@@H](CO)Cc3ccccc3)cs2)cc1 ZINC000152719150 1126076564 /nfs/dbraw/zinc/07/65/64/1126076564.db2.gz FAEZCDSVECAJEE-QGZVFWFLSA-N 0 1 384.501 3.424 20 0 GGADMN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181530844 1126076890 /nfs/dbraw/zinc/07/68/90/1126076890.db2.gz BPWYDRICIJLCLP-CQSZACIVSA-N 0 1 399.857 3.234 20 0 GGADMN Cc1ccc(-c2ncc(C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])s2)cc1 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BMVNNNRKLBVUTQ-MAUKXSAKSA-N 0 1 387.373 3.467 20 0 GGADMN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)nc1)C(F)(F)F ZINC000675157828 1126105110 /nfs/dbraw/zinc/10/51/10/1126105110.db2.gz DIPAWDJUVUAOFX-HKUYNNGSSA-N 0 1 379.426 3.306 20 0 GGADMN COc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc(OC)c1O ZINC000685424443 1126106351 /nfs/dbraw/zinc/10/63/51/1126106351.db2.gz SAWIEZOKAQWNGJ-KBXCAEBGSA-N 0 1 385.382 3.034 20 0 GGADMN COc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc(OC)c1O ZINC000685424444 1126106394 /nfs/dbraw/zinc/10/63/94/1126106394.db2.gz SAWIEZOKAQWNGJ-KDOFPFPSSA-N 0 1 385.382 3.034 20 0 GGADMN Cc1ccccc1C[C@H](CO)NCc1ccccc1I ZINC000786156800 1126109705 /nfs/dbraw/zinc/10/97/05/1126109705.db2.gz FWFPKZDLDWLREN-MRXNPFEDSA-N 0 1 381.257 3.293 20 0 GGADMN Cc1cccc(C[C@H](CO)NCc2ccccc2I)c1 ZINC000786162376 1126109821 /nfs/dbraw/zinc/10/98/21/1126109821.db2.gz DGNKBLLNWRJPES-MRXNPFEDSA-N 0 1 381.257 3.293 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000931601877 1126135975 /nfs/dbraw/zinc/13/59/75/1126135975.db2.gz BKGZWLZAUQGSLN-HXUWFJFHSA-N 0 1 387.867 3.081 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000933424092 1126137913 /nfs/dbraw/zinc/13/79/13/1126137913.db2.gz CMUDFKBWSHCLMC-QFIPXVFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000933425116 1126138154 /nfs/dbraw/zinc/13/81/54/1126138154.db2.gz JIDONFJPINPEEB-HXUWFJFHSA-N 0 1 387.867 3.482 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2coc(-c3ccccc3OC)n2)cc1 ZINC000933431778 1126139601 /nfs/dbraw/zinc/13/96/01/1126139601.db2.gz YRIRYLSWWMNMQP-JOCHJYFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(-c3ccccc3)o2)cc1OC ZINC000933443236 1126142304 /nfs/dbraw/zinc/14/23/04/1126142304.db2.gz NKOSUVTVYVIEIW-QFIPXVFZSA-N 0 1 382.460 3.442 20 0 GGADMN COc1ccc(C[C@](C)(CO)NCc2ncc(Cl)cc2Cl)cc1OC ZINC000933446791 1126143658 /nfs/dbraw/zinc/14/36/58/1126143658.db2.gz SLUIFUPUIDPWPU-GOSISDBHSA-N 0 1 385.291 3.489 20 0 GGADMN COc1ccc(C[C@@](C)(CO)NCc2nc(C(F)(F)F)cs2)cc1OC ZINC000933446809 1126143929 /nfs/dbraw/zinc/14/39/29/1126143929.db2.gz SPOTWIPFRCXIGS-INIZCTEOSA-N 0 1 390.427 3.262 20 0 GGADMN COc1ccccc1C[C@@](C)(CO)NCc1cc(O)ccc1Br ZINC001179278715 1126152039 /nfs/dbraw/zinc/15/20/39/1126152039.db2.gz YENPMIJHCAVLKQ-SFHVURJKSA-N 0 1 380.282 3.247 20 0 GGADMN COC(=O)c1ccc(OC)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001473749076 1126198552 /nfs/dbraw/zinc/19/85/52/1126198552.db2.gz DBDMHIIJHRYNJY-AEFFLSMTSA-N 0 1 397.393 3.106 20 0 GGADMN Cc1ccc(C[C@H](CO)NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1C ZINC001474566913 1126204739 /nfs/dbraw/zinc/20/47/39/1126204739.db2.gz WZWUTODABQFWPG-MRXNPFEDSA-N 0 1 388.874 3.370 20 0 GGADMN COc1ccccc1C[C@](C)(CO)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC001560102135 1126208155 /nfs/dbraw/zinc/20/81/55/1126208155.db2.gz FNADDEQQSRGLHO-XMMPIXPASA-N 0 1 391.515 3.453 20 0 GGADMN COc1cc(Br)c(CN[C@@H]2Cc3ccccc3[C@H]2O)c(OC)c1 ZINC001560615507 1126213548 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O=C1OCCC12CCN(Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000359865331 212120899 /nfs/dbraw/zinc/12/08/99/212120899.db2.gz DLXKTZYNEXVSHY-UHFFFAOYSA-N 0 1 390.281 3.164 20 0 GGADMN Cc1ccc([C@H]2CCCN2C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)cc1 ZINC000359928334 212124350 /nfs/dbraw/zinc/12/43/50/212124350.db2.gz QQLYRVYTSRQVOG-GOSISDBHSA-N 0 1 389.459 3.162 20 0 GGADMN C[C@H](O)C[C@@H](CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000359907241 212123210 /nfs/dbraw/zinc/12/32/10/212123210.db2.gz XDSDVOLFYMWIOL-QOKNQOGYSA-N 0 1 377.481 3.189 20 0 GGADMN COC(=O)CSCCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000359878897 212122034 /nfs/dbraw/zinc/12/20/34/212122034.db2.gz YEZJRPKJRUTDCC-DNVCBOLYSA-N 0 1 398.956 3.135 20 0 GGADMN COC(=O)CSCCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000359878900 212122128 /nfs/dbraw/zinc/12/21/28/212122128.db2.gz YEZJRPKJRUTDCC-HNAYVOBHSA-N 0 1 398.956 3.135 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000028246415 212109351 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Cc1ccc2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc(=O)n2c1 ZINC000007989183 221021516 /nfs/dbraw/zinc/02/15/16/221021516.db2.gz LNXSADOMOKKHTR-GOSISDBHSA-N 0 1 377.444 3.111 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)NCCc3ccc(F)cc3)n2)cc1 ZINC000008487648 221042312 /nfs/dbraw/zinc/04/23/12/221042312.db2.gz LRYPQEWKTSEMNO-UHFFFAOYSA-N 0 1 386.452 3.070 20 0 GGADMN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000008718967 221051962 /nfs/dbraw/zinc/05/19/62/221051962.db2.gz CQVHQCSIAVJOFX-UHFFFAOYSA-N 0 1 399.266 3.217 20 0 GGADMN CN1CCN(c2ccc(NC(=O)COCc3nc4ccccc4s3)cc2)CC1 ZINC000009428779 221081468 /nfs/dbraw/zinc/08/14/68/221081468.db2.gz KXKLGEMCJZJBIH-UHFFFAOYSA-N 0 1 396.516 3.203 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CC2)ccc1C ZINC000009646028 221087039 /nfs/dbraw/zinc/08/70/39/221087039.db2.gz IDLBPUUKEWDDQD-AWEZNQCLSA-N 0 1 388.489 3.333 20 0 GGADMN CCn1c2ccccc2nc1NC(=O)c1cn[nH]c1-c1ccc2c(c1)OCCO2 ZINC000010652456 221106558 /nfs/dbraw/zinc/10/65/58/221106558.db2.gz MDVOBZLIDROSMS-UHFFFAOYSA-N 0 1 389.415 3.470 20 0 GGADMN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000012507963 221199859 /nfs/dbraw/zinc/19/98/59/221199859.db2.gz GQEBFTLHNJSKKZ-UHFFFAOYSA-N 0 1 393.408 3.300 20 0 GGADMN COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000012507837 221200291 /nfs/dbraw/zinc/20/02/91/221200291.db2.gz OBHRISOKQJXNJR-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000012526381 221200923 /nfs/dbraw/zinc/20/09/23/221200923.db2.gz OVAQELXTJZZYKB-UHFFFAOYSA-N 0 1 375.324 3.173 20 0 GGADMN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012520973 221201429 /nfs/dbraw/zinc/20/14/29/221201429.db2.gz XRZWXMUKMGWLKE-UHFFFAOYSA-N 0 1 395.289 3.166 20 0 GGADMN CCONC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 ZINC000012525782 221201527 /nfs/dbraw/zinc/20/15/27/221201527.db2.gz YUPRKJAZFUOWAS-UHFFFAOYSA-N 0 1 398.868 3.221 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)C[C@H]2OC(=O)c3ccccc32)CC1 ZINC000012521608 221201702 /nfs/dbraw/zinc/20/17/02/221201702.db2.gz SQOJLHKDZPZDPL-LJQANCHMSA-N 0 1 399.878 3.332 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2[nH]1 ZINC000012520238 221201919 /nfs/dbraw/zinc/20/19/19/221201919.db2.gz UFIPLJVOLUTTAQ-UHFFFAOYSA-N 0 1 386.477 3.484 20 0 GGADMN O=C(Nc1nc2ccccc2[nH]1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012551402 221204559 /nfs/dbraw/zinc/20/45/59/221204559.db2.gz NOOBPYZLKUZVOV-UHFFFAOYSA-N 0 1 380.411 3.485 20 0 GGADMN CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000012585158 221210159 /nfs/dbraw/zinc/21/01/59/221210159.db2.gz LEDAQOQJJZYFGR-UHFFFAOYSA-N 0 1 376.478 3.286 20 0 GGADMN COc1ccc(C)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000012696311 221218324 /nfs/dbraw/zinc/21/83/24/221218324.db2.gz VPZRGOYQKYEFRK-IEBWSBKVSA-N 0 1 386.517 3.309 20 0 GGADMN COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Br ZINC000012737705 221222237 /nfs/dbraw/zinc/22/22/37/221222237.db2.gz GXMQJGVMHXMHRI-MRXNPFEDSA-N 0 1 389.293 3.462 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012743488 221223288 /nfs/dbraw/zinc/22/32/88/221223288.db2.gz PEPHMLHKPLSTGE-QGZVFWFLSA-N 0 1 395.503 3.090 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012743490 221223431 /nfs/dbraw/zinc/22/34/31/221223431.db2.gz PEPHMLHKPLSTGE-KRWDZBQOSA-N 0 1 395.503 3.090 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000012758315 221227422 /nfs/dbraw/zinc/22/74/22/221227422.db2.gz ISNGTPVIBOUDII-UHFFFAOYSA-N 0 1 397.456 3.452 20 0 GGADMN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000012761538 221228070 /nfs/dbraw/zinc/22/80/70/221228070.db2.gz VLDWNAGRNUOOEM-UHFFFAOYSA-N 0 1 397.836 3.022 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2NC1=O ZINC000012977489 221251273 /nfs/dbraw/zinc/25/12/73/221251273.db2.gz IXBOHENLPQNNBM-FZMZJTMJSA-N 0 1 375.519 3.214 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 ZINC000013120090 221261777 /nfs/dbraw/zinc/26/17/77/221261777.db2.gz SUUAJPGSUKTZKY-UHFFFAOYSA-N 0 1 379.913 3.201 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Cc2noc3ccccc23)N2CCCC2)cc1 ZINC000014190106 221303583 /nfs/dbraw/zinc/30/35/83/221303583.db2.gz YXLZNZZVFRLVCE-HXUWFJFHSA-N 0 1 379.460 3.332 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cc(OC)cc(OC)c2)N2CCCC2)c1 ZINC000014241231 221305423 /nfs/dbraw/zinc/30/54/23/221305423.db2.gz BFKCOBOKYJLUGF-NRFANRHFSA-N 0 1 384.476 3.279 20 0 GGADMN C[C@@H]1Sc2ccc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cc2NC1=O ZINC000014244961 221307091 /nfs/dbraw/zinc/30/70/91/221307091.db2.gz NAPPJVZTHITOSD-SJCJKPOMSA-N 0 1 387.480 3.291 20 0 GGADMN CN(C)[C@@H](CNC(=O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000014245329 221307372 /nfs/dbraw/zinc/30/73/72/221307372.db2.gz RNXHJRNSUOUBAL-KRWDZBQOSA-N 0 1 395.272 3.386 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000015419787 221336672 /nfs/dbraw/zinc/33/66/72/221336672.db2.gz IDISJQKLKABNJO-OAHLLOKOSA-N 0 1 388.489 3.368 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)n[nH]2)c(C)c1 ZINC000015680700 221340431 /nfs/dbraw/zinc/34/04/31/221340431.db2.gz XHHLOFJWOYSVNC-UHFFFAOYSA-N 0 1 394.500 3.353 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)cc1 ZINC000017356415 221383321 /nfs/dbraw/zinc/38/33/21/221383321.db2.gz TUORQBCXASYFJL-UHFFFAOYSA-N 0 1 394.880 3.385 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000016962610 221374485 /nfs/dbraw/zinc/37/44/85/221374485.db2.gz XNUUWKRFPPJBDI-MRXNPFEDSA-N 0 1 385.895 3.282 20 0 GGADMN O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1 ZINC000018992321 221394317 /nfs/dbraw/zinc/39/43/17/221394317.db2.gz GNBVQLBGOAEFTA-MRXNPFEDSA-N 0 1 378.409 3.210 20 0 GGADMN O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccc(F)cc1 ZINC000018992327 221394324 /nfs/dbraw/zinc/39/43/24/221394324.db2.gz XBLNKZOODDLHLL-INIZCTEOSA-N 0 1 396.399 3.350 20 0 GGADMN O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccccc1F ZINC000018992345 221394449 /nfs/dbraw/zinc/39/44/49/221394449.db2.gz ZEPKZTWCAUHSRK-MRXNPFEDSA-N 0 1 396.399 3.350 20 0 GGADMN C[C@H](NC(=O)c1ccnc(Cl)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000060344027 136155762 /nfs/dbraw/zinc/15/57/62/136155762.db2.gz TZXNAFQDPGJNOW-ZDUSSCGKSA-N 0 1 376.863 3.117 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC=CC1 ZINC000089779520 136175709 /nfs/dbraw/zinc/17/57/09/136175709.db2.gz VYEIDAPTZHBXGH-UHFFFAOYSA-N 0 1 381.442 3.300 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)NCCc1c[nH]c2ccccc12)N1CCOCC1 ZINC000036744430 221866894 /nfs/dbraw/zinc/86/68/94/221866894.db2.gz VJXXEAMTHWBHRX-OAQYLSRUSA-N 0 1 386.540 3.147 20 0 GGADMN CS(=O)(=O)Nc1cc(F)ccc1C(=O)OCc1nc2ccccc2s1 ZINC000051578052 222006289 /nfs/dbraw/zinc/00/62/89/222006289.db2.gz KIAFLXARPMVHNB-UHFFFAOYSA-N 0 1 380.422 3.164 20 0 GGADMN C[C@@H]1CCCN(C(=O)C2CCN(Cn3cnc4cc(F)c(F)cc43)CC2)C1 ZINC000054471795 222014104 /nfs/dbraw/zinc/01/41/04/222014104.db2.gz UOFGAGZNWQYABQ-CQSZACIVSA-N 0 1 376.451 3.243 20 0 GGADMN O=C1OCCN1c1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000058167637 222042436 /nfs/dbraw/zinc/04/24/36/222042436.db2.gz HTLQBFSFULANKB-UHFFFAOYSA-N 0 1 397.250 3.207 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccco1 ZINC000058193260 222043589 /nfs/dbraw/zinc/04/35/89/222043589.db2.gz DOLKWZHIJOXZLM-OAHLLOKOSA-N 0 1 376.453 3.118 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1ccc(OC)c(OC)c1OC)c1ccco1 ZINC000058193178 222044416 /nfs/dbraw/zinc/04/44/16/222044416.db2.gz CPKMNMXHZLOKTB-OAHLLOKOSA-N 0 1 376.453 3.118 20 0 GGADMN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1CN(C)C(C)C ZINC000058954323 222056576 /nfs/dbraw/zinc/05/65/76/222056576.db2.gz KIGKJIHRXHTWCW-UHFFFAOYSA-N 0 1 388.533 3.250 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@@H](c2ccccc2)O1 ZINC000067860094 222163099 /nfs/dbraw/zinc/16/30/99/222163099.db2.gz FNYPQIFMAGFYDU-XXBNENTESA-N 0 1 393.531 3.036 20 0 GGADMN COc1cccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1OC ZINC000067979337 222170929 /nfs/dbraw/zinc/17/09/29/222170929.db2.gz JQUJVYSEHNVHRA-IRXDYDNUSA-N 0 1 398.503 3.243 20 0 GGADMN CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000069438101 222172512 /nfs/dbraw/zinc/17/25/12/222172512.db2.gz URTDDUBRYCBIGV-QGZVFWFLSA-N 0 1 398.334 3.151 20 0 GGADMN CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000069419389 222173514 /nfs/dbraw/zinc/17/35/14/222173514.db2.gz FMTCCOVXOIXTGZ-QGZVFWFLSA-N 0 1 398.334 3.151 20 0 GGADMN CN1CCN(C(=O)COc2ccc(Br)cc2)C2(CCCCC2)C1 ZINC000072306717 222221378 /nfs/dbraw/zinc/22/13/78/222221378.db2.gz FZEPJXWZSSSRTK-UHFFFAOYSA-N 0 1 381.314 3.305 20 0 GGADMN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000079069704 222303397 /nfs/dbraw/zinc/30/33/97/222303397.db2.gz AMBHWLHETSAGDR-INIZCTEOSA-N 0 1 380.529 3.125 20 0 GGADMN O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(CCN2CCOCC2)CC1 ZINC000084137184 222315201 /nfs/dbraw/zinc/31/52/01/222315201.db2.gz YSYIIRVYFXOCGQ-SJORKVTESA-N 0 1 376.463 3.316 20 0 GGADMN O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1nncn1-c1ccccc1 ZINC000095944177 222362636 /nfs/dbraw/zinc/36/26/36/222362636.db2.gz XWTATYGPFVNMAC-UHFFFAOYSA-N 0 1 382.367 3.228 20 0 GGADMN O=S(=O)(NC1CC=CC1)c1scc(Br)c1Br ZINC000095965878 222365099 /nfs/dbraw/zinc/36/50/99/222365099.db2.gz AASOKTHZHUEPHJ-UHFFFAOYSA-N 0 1 387.118 3.270 20 0 GGADMN CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccc2c(c1)OCCO2 ZINC000095980224 222367653 /nfs/dbraw/zinc/36/76/53/222367653.db2.gz HFCLFQASLDBBJU-HNNXBMFYSA-N 0 1 396.491 3.137 20 0 GGADMN COc1ccccc1CC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000096011953 222371214 /nfs/dbraw/zinc/37/12/14/222371214.db2.gz DRLYBTYRBJNCSV-QGZVFWFLSA-N 0 1 390.365 3.280 20 0 GGADMN O=C(Nc1nnc2ccccn21)c1[nH]nc(-c2ccccc2)c1Br ZINC000065108025 551185771 /nfs/dbraw/zinc/18/57/71/551185771.db2.gz RDTCRNQIVJMUKD-UHFFFAOYSA-N 0 1 383.209 3.134 20 0 GGADMN CC(C)CNC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000023270056 564323223 /nfs/dbraw/zinc/32/32/23/564323223.db2.gz QKKPMVZHFNJOOZ-SNVBAGLBSA-N 0 1 383.315 3.487 20 0 GGADMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(NC(N)=O)cc1 ZINC000122406148 564413180 /nfs/dbraw/zinc/41/31/80/564413180.db2.gz QEAIRMJBAQGPER-UHFFFAOYSA-N 0 1 390.284 3.110 20 0 GGADMN Brc1cncc(Br)c1CNCCc1nccs1 ZINC000394585983 565572506 /nfs/dbraw/zinc/57/25/06/565572506.db2.gz WJMYZIUHYRIICB-UHFFFAOYSA-N 0 1 377.105 3.395 20 0 GGADMN COc1ccc(CNCCn2cc(Br)cn2)c(Br)c1 ZINC000311992573 565580978 /nfs/dbraw/zinc/58/09/78/565580978.db2.gz OPDBQTAWKCULDS-UHFFFAOYSA-N 0 1 389.091 3.207 20 0 GGADMN CS[C@H](CO)[C@@H](C)NCc1cc(Cl)ccc1I ZINC000405281075 565585711 /nfs/dbraw/zinc/58/57/11/565585711.db2.gz BNRQYAGIENHATG-PRHODGIISA-N 0 1 385.698 3.147 20 0 GGADMN Cc1n[nH]c(C)c1NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000114717535 564181441 /nfs/dbraw/zinc/18/14/41/564181441.db2.gz IUJJEVOWUANRKN-UHFFFAOYSA-N 0 1 377.286 3.397 20 0 GGADMN COc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1Br ZINC000114746146 564182029 /nfs/dbraw/zinc/18/20/29/564182029.db2.gz VXFMTCRQBCENIA-SKDRFNHKSA-N 0 1 395.219 3.272 20 0 GGADMN Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2ccc(Cl)cc2O)n1 ZINC000114800413 564182327 /nfs/dbraw/zinc/18/23/27/564182327.db2.gz VGGYAKRIMBBOQZ-UHFFFAOYSA-N 0 1 377.809 3.422 20 0 GGADMN NC(=O)[C@@H](N[C@H]1CCCN(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000115600852 564196829 /nfs/dbraw/zinc/19/68/29/564196829.db2.gz HTVDJTNEJCTVKJ-WMZOPIPTSA-N 0 1 388.309 3.234 20 0 GGADMN CCOC(=O)c1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)n[nH]1 ZINC000538683027 564197264 /nfs/dbraw/zinc/19/72/64/564197264.db2.gz KMMQNZOTKVCRAI-UHFFFAOYSA-N 0 1 392.253 3.409 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000115779073 564198224 /nfs/dbraw/zinc/19/82/24/564198224.db2.gz MAICEAWZNUCDCF-UHFFFAOYSA-N 0 1 391.313 3.444 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(I)cc1 ZINC000115902302 564200121 /nfs/dbraw/zinc/20/01/21/564200121.db2.gz UXOBKMRGQWGPIZ-MRXNPFEDSA-N 0 1 393.224 3.303 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(I)cc1 ZINC000115902302 564200125 /nfs/dbraw/zinc/20/01/25/564200125.db2.gz UXOBKMRGQWGPIZ-MRXNPFEDSA-N 0 1 393.224 3.303 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CC1)NC(=O)Nc1ccccc1 ZINC000116415080 564209198 /nfs/dbraw/zinc/20/91/98/564209198.db2.gz ATHHRLNUFNMCPN-UHFFFAOYSA-N 0 1 388.265 3.376 20 0 GGADMN Fc1ccc(CNc2nnc(SCCN3C[C@H]4CC[C@@H](C3)O4)s2)cc1 ZINC000539272185 564214698 /nfs/dbraw/zinc/21/46/98/564214698.db2.gz HOAZJJQTWLDLJW-GASCZTMLSA-N 0 1 380.514 3.245 20 0 GGADMN COCC[S@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000116711452 564214982 /nfs/dbraw/zinc/21/49/82/564214982.db2.gz HTXYBAUXNSEARW-HSZRJFAPSA-N 0 1 387.910 3.036 20 0 GGADMN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000116711790 564215037 /nfs/dbraw/zinc/21/50/37/564215037.db2.gz FBSHFZFUYSQUPL-QFIPXVFZSA-N 0 1 375.874 3.467 20 0 GGADMN Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000116711227 564215087 /nfs/dbraw/zinc/21/50/87/564215087.db2.gz IVKQRGWGARQABK-UHFFFAOYSA-N 0 1 391.873 3.133 20 0 GGADMN CN1CCCN(C(=O)c2cc(Br)sc2Br)CC1 ZINC000116714811 564215118 /nfs/dbraw/zinc/21/51/18/564215118.db2.gz ASHFOVCTGWRYIW-UHFFFAOYSA-N 0 1 382.121 3.051 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O ZINC000005329399 564215228 /nfs/dbraw/zinc/21/52/28/564215228.db2.gz QYGKNDFLJWJGPG-UHFFFAOYSA-N 0 1 380.853 3.276 20 0 GGADMN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000116846128 564217861 /nfs/dbraw/zinc/21/78/61/564217861.db2.gz BKBAYFBYIXYQNX-UHFFFAOYSA-N 0 1 375.475 3.244 20 0 GGADMN O=C(Nc1cnn(CC(F)F)c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000116838303 564217940 /nfs/dbraw/zinc/21/79/40/564217940.db2.gz YYSLTKFDXWBHRU-UHFFFAOYSA-N 0 1 397.179 3.005 20 0 GGADMN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000117115258 564221760 /nfs/dbraw/zinc/22/17/60/564221760.db2.gz PIIOGPOYQNFGRS-UHFFFAOYSA-N 0 1 379.898 3.332 20 0 GGADMN CC(C)[C@H](C)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000006459464 564224039 /nfs/dbraw/zinc/22/40/39/564224039.db2.gz QEQOOVASZALHAU-JTQLQIEISA-N 0 1 383.315 3.487 20 0 GGADMN CC[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000117345864 564226611 /nfs/dbraw/zinc/22/66/11/564226611.db2.gz WTBXYUMARQFQJN-AWEZNQCLSA-N 0 1 396.329 3.016 20 0 GGADMN Cc1ccc2nc(SCC(=O)c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1 ZINC000006975457 564229739 /nfs/dbraw/zinc/22/97/39/564229739.db2.gz ZTXZLHDHAGZYBJ-UHFFFAOYSA-N 0 1 375.475 3.218 20 0 GGADMN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000007051043 564230782 /nfs/dbraw/zinc/23/07/82/564230782.db2.gz PVSJMCHYTVROJW-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000117739048 564231195 /nfs/dbraw/zinc/23/11/95/564231195.db2.gz QWWXFBNOKMWHOZ-HSZRJFAPSA-N 0 1 381.372 3.383 20 0 GGADMN C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000117739160 564231285 /nfs/dbraw/zinc/23/12/85/564231285.db2.gz RQYDYQXIOXMJFV-HXUWFJFHSA-N 0 1 392.271 3.126 20 0 GGADMN C[C@@H](Oc1cccnc1)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000117771675 564232061 /nfs/dbraw/zinc/23/20/61/564232061.db2.gz VYILVGJPQUIJMC-SNVBAGLBSA-N 0 1 388.225 3.035 20 0 GGADMN C[C@H](Oc1cccnc1)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000117771672 564232280 /nfs/dbraw/zinc/23/22/80/564232280.db2.gz VYILVGJPQUIJMC-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN CS(=O)(=O)N(CC(F)(F)F)C1CCN(CCSc2ccccc2)CC1 ZINC000117883239 564233523 /nfs/dbraw/zinc/23/35/23/564233523.db2.gz XYRJNMDCTLWCBJ-UHFFFAOYSA-N 0 1 396.500 3.067 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000117942892 564235056 /nfs/dbraw/zinc/23/50/56/564235056.db2.gz AKQZMZDAJFMXCE-CQSZACIVSA-N 0 1 382.913 3.116 20 0 GGADMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1 ZINC000007362274 564236198 /nfs/dbraw/zinc/23/61/98/564236198.db2.gz PIXJBBWPBNZHSO-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN COc1cccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000007670210 564239081 /nfs/dbraw/zinc/23/90/81/564239081.db2.gz HRSJOPPENNMKAH-UHFFFAOYSA-N 0 1 388.265 3.098 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccccc2Br)N(C)C)c1 ZINC000007684465 564239659 /nfs/dbraw/zinc/23/96/59/564239659.db2.gz SBCHYNMEQQPQCH-QGZVFWFLSA-N 0 1 377.282 3.490 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccccc2Br)N(C)C)c1 ZINC000007684461 564239804 /nfs/dbraw/zinc/23/98/04/564239804.db2.gz SBCHYNMEQQPQCH-KRWDZBQOSA-N 0 1 377.282 3.490 20 0 GGADMN CC(C)(CNCc1cccnc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000118455141 564240409 /nfs/dbraw/zinc/24/04/09/564240409.db2.gz VBCLCGZNVMZXGI-UHFFFAOYSA-N 0 1 383.311 3.186 20 0 GGADMN COc1ccc([C@@H](C)NCC(=O)NCCc2ccccc2)cc1Br ZINC000007879275 564242688 /nfs/dbraw/zinc/24/26/88/564242688.db2.gz CFFHZGAQRCWFDM-CQSZACIVSA-N 0 1 391.309 3.467 20 0 GGADMN COc1ccc([C@H](C)NCC(=O)NCCc2ccccc2)cc1Br ZINC000007879274 564242836 /nfs/dbraw/zinc/24/28/36/564242836.db2.gz CFFHZGAQRCWFDM-AWEZNQCLSA-N 0 1 391.309 3.467 20 0 GGADMN C[C@H](O)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000118732108 564244917 /nfs/dbraw/zinc/24/49/17/564244917.db2.gz FZZPMGBHGMAHKJ-NSHDSACASA-N 0 1 378.270 3.072 20 0 GGADMN Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c(Br)c1 ZINC000119093080 564254474 /nfs/dbraw/zinc/25/44/74/564254474.db2.gz HIRNFTDFDBVPTO-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3)cn2)CC1 ZINC000011533216 564263570 /nfs/dbraw/zinc/26/35/70/564263570.db2.gz BPNPJKUBOBSJAX-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000011469824 564264172 /nfs/dbraw/zinc/26/41/72/564264172.db2.gz QTSHWFXSDXWXSY-UHFFFAOYSA-N 0 1 377.779 3.480 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000011469824 564264174 /nfs/dbraw/zinc/26/41/74/564264174.db2.gz QTSHWFXSDXWXSY-UHFFFAOYSA-N 0 1 377.779 3.480 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000119371624 564268187 /nfs/dbraw/zinc/26/81/87/564268187.db2.gz JNKJNNKQPBYCQS-UHFFFAOYSA-N 0 1 377.293 3.339 20 0 GGADMN NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 ZINC000012541654 564268371 /nfs/dbraw/zinc/26/83/71/564268371.db2.gz FTODAVGHVSILHD-UHFFFAOYSA-N 0 1 390.408 3.241 20 0 GGADMN O=C(NCC1(N2CCSCC2)CCCC1)c1csc([C@@H]2CCCO2)n1 ZINC000119450717 564271510 /nfs/dbraw/zinc/27/15/10/564271510.db2.gz LTHDZFWKTVXQHL-HNNXBMFYSA-N 0 1 381.567 3.086 20 0 GGADMN O=C(Nc1ccc(O)cc1F)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000119489437 564273070 /nfs/dbraw/zinc/27/30/70/564273070.db2.gz CSZUSSSZTGAVRH-UHFFFAOYSA-N 0 1 377.169 3.388 20 0 GGADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(Br)c1 ZINC000013592996 564277402 /nfs/dbraw/zinc/27/74/02/564277402.db2.gz DTZQJPNXCJQDSL-SNVBAGLBSA-N 0 1 387.237 3.082 20 0 GGADMN CC(C)[C@@H](CNc1ncnc2cc(F)c(Br)cc21)N1CCOCC1 ZINC000541540446 564283195 /nfs/dbraw/zinc/28/31/95/564283195.db2.gz VLNWEVVINGJARG-MRXNPFEDSA-N 0 1 397.292 3.300 20 0 GGADMN COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1Br ZINC000015576576 564288297 /nfs/dbraw/zinc/28/82/97/564288297.db2.gz KOIDEOOFEBHJRP-UHFFFAOYSA-N 0 1 376.210 3.017 20 0 GGADMN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)o1 ZINC000119816638 564290185 /nfs/dbraw/zinc/29/01/85/564290185.db2.gz FLLQVVMZWICCJU-UHFFFAOYSA-N 0 1 378.841 3.257 20 0 GGADMN O=C(Nc1cc(Br)ccc1N1CCOCC1)c1c(O)cccc1F ZINC000119849606 564292015 /nfs/dbraw/zinc/29/20/15/564292015.db2.gz IHUMSUAGHQJBAU-UHFFFAOYSA-N 0 1 395.228 3.383 20 0 GGADMN O=S(=O)(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc(F)ccc1F ZINC000119969815 564298069 /nfs/dbraw/zinc/29/80/69/564298069.db2.gz JZHLMSDABRKMCA-CYBMUJFWSA-N 0 1 386.489 3.217 20 0 GGADMN CC(C)N1CCc2nc(CNc3nnc(CC(F)(F)F)s3)sc2C1 ZINC000475052599 564298134 /nfs/dbraw/zinc/29/81/34/564298134.db2.gz DGQZCDQJEOXLCM-UHFFFAOYSA-N 0 1 377.461 3.478 20 0 GGADMN Cc1csc2nc(CN3CC[C@@H](Oc4cccc(Cl)c4)C3)cc(=O)n12 ZINC000120091195 564303959 /nfs/dbraw/zinc/30/39/59/564303959.db2.gz UUWPUGKKBHUGKT-MRXNPFEDSA-N 0 1 375.881 3.371 20 0 GGADMN Nc1nc(NCCc2c[nH]c3ccc(Br)cc23)cc(-n2cccn2)n1 ZINC000542205847 564304936 /nfs/dbraw/zinc/30/49/36/564304936.db2.gz QZGNKWMZWFHCOL-UHFFFAOYSA-N 0 1 398.268 3.143 20 0 GGADMN Cc1cccc(I)c1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000120163470 564307248 /nfs/dbraw/zinc/30/72/48/564307248.db2.gz USSMNAVIVYNASM-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000120222125 564310164 /nfs/dbraw/zinc/31/01/64/564310164.db2.gz VHWJQQHKDJEOKX-VMPBMTGNSA-N 0 1 379.547 3.245 20 0 GGADMN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NN1CCCCC1=O ZINC000120262821 564313032 /nfs/dbraw/zinc/31/30/32/564313032.db2.gz GTESFJWTDCFNOD-UHFFFAOYSA-N 0 1 379.869 3.341 20 0 GGADMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000022197297 564315274 /nfs/dbraw/zinc/31/52/74/564315274.db2.gz OGXFGUFHYMGZPB-UHFFFAOYSA-N 0 1 382.417 3.045 20 0 GGADMN COC(=O)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000022957172 564321425 /nfs/dbraw/zinc/32/14/25/564321425.db2.gz CTMSQBKCRAHHNY-UHFFFAOYSA-N 0 1 375.324 3.173 20 0 GGADMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000023076214 564322409 /nfs/dbraw/zinc/32/24/09/564322409.db2.gz SSYMVQQBRPDWNX-UHFFFAOYSA-N 0 1 380.882 3.421 20 0 GGADMN CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC000120521234 564324209 /nfs/dbraw/zinc/32/42/09/564324209.db2.gz WPHGWGDTEBOHQA-UHFFFAOYSA-N 0 1 385.482 3.328 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3C[C@@H]4CCCN4C[C@@H]3C)s2)cs1 ZINC000120601323 564328009 /nfs/dbraw/zinc/32/80/09/564328009.db2.gz YNOVAVQFQLQNGM-AAEUAGOBSA-N 0 1 383.564 3.037 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Br)c2)c1 ZINC000024152988 564328586 /nfs/dbraw/zinc/32/85/86/564328586.db2.gz AYIXEODSOOEOFV-UHFFFAOYSA-N 0 1 384.251 3.201 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000024255538 564329621 /nfs/dbraw/zinc/32/96/21/564329621.db2.gz SYQNSLRGMZNPMZ-KRWDZBQOSA-N 0 1 380.897 3.423 20 0 GGADMN CCCCNC(=O)C1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000120661703 564331355 /nfs/dbraw/zinc/33/13/55/564331355.db2.gz UIGRKJYIFICOGU-QGZVFWFLSA-N 0 1 383.330 3.111 20 0 GGADMN CCCCNC(=O)C1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000120661564 564331923 /nfs/dbraw/zinc/33/19/23/564331923.db2.gz UIGRKJYIFICOGU-KRWDZBQOSA-N 0 1 383.330 3.111 20 0 GGADMN COc1cccc(COC[C@H](O)CN(C)Cc2ccc(Br)o2)c1 ZINC000120687137 564332446 /nfs/dbraw/zinc/33/24/46/564332446.db2.gz NIZFHTVGUDDUIT-CQSZACIVSA-N 0 1 384.270 3.060 20 0 GGADMN CS(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1 ZINC000025105179 564335569 /nfs/dbraw/zinc/33/55/69/564335569.db2.gz KWXJADSFITUALF-UHFFFAOYSA-N 0 1 375.837 3.386 20 0 GGADMN CN(C)[C@H](CNC(=O)CCc1nc(-c2ccsc2)no1)c1ccsc1 ZINC000025331160 564337745 /nfs/dbraw/zinc/33/77/45/564337745.db2.gz CALPQFAQRTZAIU-CQSZACIVSA-N 0 1 376.507 3.211 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(C)c3Br)C2)CC1 ZINC000120812049 564338101 /nfs/dbraw/zinc/33/81/01/564338101.db2.gz DLACSXZKEKLWBC-HNNXBMFYSA-N 0 1 395.345 3.001 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025549664 564339566 /nfs/dbraw/zinc/33/95/66/564339566.db2.gz QCFKFOUINYMUJV-UHFFFAOYSA-N 0 1 396.248 3.400 20 0 GGADMN COc1ccsc1S(=O)(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000120856406 564340150 /nfs/dbraw/zinc/34/01/50/564340150.db2.gz SJTWGOAPNJDUGQ-UHFFFAOYSA-N 0 1 386.882 3.338 20 0 GGADMN O=C(NCCc1nc[nH]n1)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000120837748 564340233 /nfs/dbraw/zinc/34/02/33/564340233.db2.gz VEVADSNTKMZGQH-UHFFFAOYSA-N 0 1 379.795 3.477 20 0 GGADMN O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120933049 564344065 /nfs/dbraw/zinc/34/40/65/564344065.db2.gz FUJJLXXMIIUHIO-CQSZACIVSA-N 0 1 389.297 3.393 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000026369254 564346433 /nfs/dbraw/zinc/34/64/33/564346433.db2.gz NXGWTEHRJRNNFL-CHWSQXEVSA-N 0 1 380.897 3.421 20 0 GGADMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000026543655 564347456 /nfs/dbraw/zinc/34/74/56/564347456.db2.gz RLIRDNLODQJCTP-UHFFFAOYSA-N 0 1 384.251 3.193 20 0 GGADMN CC(C)c1nnc(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)s1 ZINC000026572879 564348000 /nfs/dbraw/zinc/34/80/00/564348000.db2.gz KEOYOIMOFSDPLI-UHFFFAOYSA-N 0 1 375.479 3.063 20 0 GGADMN COc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1 ZINC000121139367 564354816 /nfs/dbraw/zinc/35/48/16/564354816.db2.gz WGBTVIWYABTVOT-CYBMUJFWSA-N 0 1 382.913 3.450 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccs1 ZINC000027675811 564356364 /nfs/dbraw/zinc/35/63/64/564356364.db2.gz FEDKDONCHZATBU-CQSZACIVSA-N 0 1 375.519 3.215 20 0 GGADMN Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(Br)n1 ZINC000121222980 564360173 /nfs/dbraw/zinc/36/01/73/564360173.db2.gz JFCFRNOEFUPRBV-HNNXBMFYSA-N 0 1 380.261 3.324 20 0 GGADMN O=c1nc(Cc2cc(Br)c3c(c2)OCCO3)[nH]c2ccsc21 ZINC000121253920 564362067 /nfs/dbraw/zinc/36/20/67/564362067.db2.gz ONKAHWKJIGSKAQ-UHFFFAOYSA-N 0 1 379.235 3.109 20 0 GGADMN CCc1nc(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n[nH]1 ZINC000028656846 564363405 /nfs/dbraw/zinc/36/34/05/564363405.db2.gz AKZABUHDLSPIGV-SNVBAGLBSA-N 0 1 383.315 3.269 20 0 GGADMN CCc1n[nH]c(S[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)n1 ZINC000028656846 564363408 /nfs/dbraw/zinc/36/34/08/564363408.db2.gz 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CC[C@@H](NC(=O)CSc1nc2n[nH]cc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000031610810 564390087 /nfs/dbraw/zinc/39/00/87/564390087.db2.gz FKCIZHUKPJNDNO-GFCCVEGCSA-N 0 1 377.857 3.072 20 0 GGADMN CSc1ncc(Cl)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000031544483 564390158 /nfs/dbraw/zinc/39/01/58/564390158.db2.gz IMXKJJPNVUDBQL-AWEZNQCLSA-N 0 1 376.913 3.246 20 0 GGADMN CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000031668727 564391049 /nfs/dbraw/zinc/39/10/49/564391049.db2.gz AVVBMAJHPZAJRQ-UHFFFAOYSA-N 0 1 395.897 3.147 20 0 GGADMN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000031669302 564391149 /nfs/dbraw/zinc/39/11/49/564391149.db2.gz WRFNZXRSZBIWQE-UHFFFAOYSA-N 0 1 397.294 3.226 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000032270561 564396449 /nfs/dbraw/zinc/39/64/49/564396449.db2.gz SEPDPBIWKANLSQ-HNNXBMFYSA-N 0 1 394.313 3.017 20 0 GGADMN CCOC(=O)COc1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000032095412 564396483 /nfs/dbraw/zinc/39/64/83/564396483.db2.gz RLYVEFNFKLQCGS-UHFFFAOYSA-N 0 1 383.853 3.391 20 0 GGADMN Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000032268874 564396606 /nfs/dbraw/zinc/39/66/06/564396606.db2.gz DZXDJRGODHGVGL-CQSZACIVSA-N 0 1 379.551 3.267 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000032270559 564396858 /nfs/dbraw/zinc/39/68/58/564396858.db2.gz SNXLNMHJXMRJTN-CYBMUJFWSA-N 0 1 389.721 3.189 20 0 GGADMN CCc1nc(C)c([C@H](C)N(C)CC2=Nc3ccccc3S(=O)(=O)N2)s1 ZINC000122061291 564398136 /nfs/dbraw/zinc/39/81/36/564398136.db2.gz QPURQXXGVXSJKQ-LBPRGKRZSA-N 0 1 378.523 3.029 20 0 GGADMN COC(=O)c1csc(NS(=O)(=O)c2ccc(C)cc2Br)c1 ZINC000122083942 564398986 /nfs/dbraw/zinc/39/89/86/564398986.db2.gz LTYXOGPDVQYJNW-UHFFFAOYSA-N 0 1 390.280 3.406 20 0 GGADMN COC(=O)c1csc(NS(=O)(=O)c2cc(Br)sc2C)c1 ZINC000122078898 564399168 /nfs/dbraw/zinc/39/91/68/564399168.db2.gz XGUGZBOBUWMVGN-UHFFFAOYSA-N 0 1 396.309 3.468 20 0 GGADMN Cc1ccc(CNCCS(=O)(=O)c2ccc(F)cc2)cc1Br ZINC000122104972 564400018 /nfs/dbraw/zinc/40/00/18/564400018.db2.gz RIRVSEVKNOINKW-UHFFFAOYSA-N 0 1 386.286 3.460 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@H]1C ZINC000032441216 564400200 /nfs/dbraw/zinc/40/02/00/564400200.db2.gz WNIUEVBHMLIYOB-NEPJUHHUSA-N 0 1 396.887 3.483 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1C ZINC000032441177 564400213 /nfs/dbraw/zinc/40/02/13/564400213.db2.gz AEEAJLDGWVFITO-STQMWFEESA-N 0 1 380.432 3.126 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)[nH]1 ZINC000122123923 564401690 /nfs/dbraw/zinc/40/16/90/564401690.db2.gz KQTNOHBCYUJSOB-CYBMUJFWSA-N 0 1 380.901 3.176 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000122123923 564401695 /nfs/dbraw/zinc/40/16/95/564401695.db2.gz KQTNOHBCYUJSOB-CYBMUJFWSA-N 0 1 380.901 3.176 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2OC)cc1Cl ZINC000032587895 564402449 /nfs/dbraw/zinc/40/24/49/564402449.db2.gz MQXHTMZGDDHNJU-UHFFFAOYSA-N 0 1 384.841 3.116 20 0 GGADMN CC(C)(COc1ncccc1Br)NC(=O)c1n[nH]c2ccccc21 ZINC000122225451 564405410 /nfs/dbraw/zinc/40/54/10/564405410.db2.gz NUIRFGNRDDRDAQ-UHFFFAOYSA-N 0 1 389.253 3.308 20 0 GGADMN Cc1cc(C)nc(SCC(=O)NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000032761171 564405496 /nfs/dbraw/zinc/40/54/96/564405496.db2.gz UKUWHEGWDVUXDH-HNNXBMFYSA-N 0 1 376.551 3.200 20 0 GGADMN Cc1nnc(SCC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)[nH]1 ZINC000122306691 564408895 /nfs/dbraw/zinc/40/88/95/564408895.db2.gz NSZODJXLXNWLNY-VIFPVBQESA-N 0 1 391.444 3.087 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000122306691 564408899 /nfs/dbraw/zinc/40/88/99/564408899.db2.gz NSZODJXLXNWLNY-VIFPVBQESA-N 0 1 391.444 3.087 20 0 GGADMN Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000122375439 564411910 /nfs/dbraw/zinc/41/19/10/564411910.db2.gz LAAKQWYUPPYAEQ-HNNXBMFYSA-N 0 1 389.297 3.398 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000033242836 564412758 /nfs/dbraw/zinc/41/27/58/564412758.db2.gz SEBFPASTQWVXDS-MJBXVCDLSA-N 0 1 389.323 3.376 20 0 GGADMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000033608240 564413340 /nfs/dbraw/zinc/41/33/40/564413340.db2.gz NKUPJXBNOLRFJH-UHFFFAOYSA-N 0 1 380.274 3.198 20 0 GGADMN COc1cc(Br)c(CN[C@H](CO)Cc2ccccc2)cc1OC ZINC000034134642 564413842 /nfs/dbraw/zinc/41/38/42/564413842.db2.gz VDQGDCDXQUFKEO-HNNXBMFYSA-N 0 1 380.282 3.160 20 0 GGADMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000036182370 564415961 /nfs/dbraw/zinc/41/59/61/564415961.db2.gz RJZZIMCFQGPLKE-UHFFFAOYSA-N 0 1 383.491 3.023 20 0 GGADMN CC(C)CCS(=O)(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000122527721 564417246 /nfs/dbraw/zinc/41/72/46/564417246.db2.gz MIAXWDSEQTYDKS-UHFFFAOYSA-N 0 1 388.961 3.149 20 0 GGADMN CCOC(=O)CN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)C1CC1 ZINC000122533950 564418476 /nfs/dbraw/zinc/41/84/76/564418476.db2.gz AICNMLOXMCUUAP-UHFFFAOYSA-N 0 1 392.253 3.007 20 0 GGADMN COc1ccc(Br)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000036663811 564418450 /nfs/dbraw/zinc/41/84/50/564418450.db2.gz ZQIUIRXQGOHDPR-HNNXBMFYSA-N 0 1 389.293 3.462 20 0 GGADMN COc1cc(CNCc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(N)=O ZINC000122560324 564418938 /nfs/dbraw/zinc/41/89/38/564418938.db2.gz OJJDGVVUKCDCNG-UHFFFAOYSA-N 0 1 387.238 3.295 20 0 GGADMN Cc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1I ZINC000037029012 564419388 /nfs/dbraw/zinc/41/93/88/564419388.db2.gz YXPCSXKDRNVJAL-OAHLLOKOSA-N 0 1 380.229 3.108 20 0 GGADMN CCO[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000122592661 564419791 /nfs/dbraw/zinc/41/97/91/564419791.db2.gz XHUQOPRCMNLWOE-WMLDXEAASA-N 0 1 383.330 3.297 20 0 GGADMN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(I)cc1 ZINC000037270450 564420706 /nfs/dbraw/zinc/42/07/06/564420706.db2.gz UDRLHPASONVNEQ-LLVKDONJSA-N 0 1 380.229 3.241 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCc1nc(-c2cccs2)no1)c1cccs1 ZINC000040012835 564424834 /nfs/dbraw/zinc/42/48/34/564424834.db2.gz KNBJOYGMDDGDOP-LBPRGKRZSA-N 0 1 376.507 3.211 20 0 GGADMN CN1CCN(C(C)(C)CNC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000040050374 564424975 /nfs/dbraw/zinc/42/49/75/564424975.db2.gz BWVVFNAPOKRCLV-UHFFFAOYSA-N 0 1 375.369 3.306 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000039968108 564425420 /nfs/dbraw/zinc/42/54/20/564425420.db2.gz FHBXMBZVEOKEKP-UHFFFAOYSA-N 0 1 380.853 3.498 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)CSCc3cccs3)cc2)CC1 ZINC000040107897 564426164 /nfs/dbraw/zinc/42/61/64/564426164.db2.gz NCNWMWFXAFWOOQ-UHFFFAOYSA-N 0 1 375.563 3.367 20 0 GGADMN Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1Br ZINC000122816901 564428728 /nfs/dbraw/zinc/42/87/28/564428728.db2.gz XASQOJFFCPCUFR-UHFFFAOYSA-N 0 1 390.281 3.170 20 0 GGADMN CN(CCC(=O)NCC(=O)c1ccccc1)Cc1cc(Br)cs1 ZINC000122807313 564428809 /nfs/dbraw/zinc/42/88/09/564428809.db2.gz LEGOVPFDMPWAQJ-UHFFFAOYSA-N 0 1 395.322 3.332 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041368785 564432031 /nfs/dbraw/zinc/43/20/31/564432031.db2.gz RDEZZJRWSIVAJP-UHFFFAOYSA-N 0 1 389.670 3.366 20 0 GGADMN CCSc1cc(Cl)ccc1C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000122980544 564434639 /nfs/dbraw/zinc/43/46/39/564434639.db2.gz IRYLDNAYCRPBIF-QGZVFWFLSA-N 0 1 383.989 3.454 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1COc2ccc(Br)cc21)c1cccs1 ZINC000123089903 564438540 /nfs/dbraw/zinc/43/85/40/564438540.db2.gz BLRVVSPNESRFEU-ZIAGYGMSSA-N 0 1 395.322 3.406 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)NCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000123115183 564439596 /nfs/dbraw/zinc/43/95/96/564439596.db2.gz YAJZNTJXBWJOKY-CYBMUJFWSA-N 0 1 383.945 3.114 20 0 GGADMN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc2n[nH]cc21 ZINC000042017372 564439887 /nfs/dbraw/zinc/43/98/87/564439887.db2.gz WGUXCDVFBSDGKE-UHFFFAOYSA-N 0 1 387.237 3.036 20 0 GGADMN NC(=O)C1(NCc2cc(Br)ccc2OC(F)F)CCCCC1 ZINC000123280170 564444131 /nfs/dbraw/zinc/44/41/31/564444131.db2.gz HBYNDBGQDPNBDX-UHFFFAOYSA-N 0 1 377.229 3.328 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)CN(C)[C@@H]3CCSC3)s2)cs1 ZINC000123341857 564444900 /nfs/dbraw/zinc/44/49/00/564444900.db2.gz QSSZNPJAKSROHM-CYBMUJFWSA-N 0 1 381.592 3.276 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1Br ZINC000123332819 564445267 /nfs/dbraw/zinc/44/52/67/564445267.db2.gz XGQPHMDHFMZTDD-CHWSQXEVSA-N 0 1 394.265 3.268 20 0 GGADMN CC(C)N(CCN(C)C)S(=O)(=O)c1cc(Br)ccc1Cl ZINC000123371968 564446101 /nfs/dbraw/zinc/44/61/01/564446101.db2.gz NCOXBLBWSOYYHD-UHFFFAOYSA-N 0 1 383.739 3.063 20 0 GGADMN O=S(=O)(Nc1ccc(Br)cc1)c1cncc(Br)c1 ZINC000043531769 564459590 /nfs/dbraw/zinc/45/95/90/564459590.db2.gz SBFYBHFSOUSFGH-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN CC(C)[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)N1CCN(C)CC1 ZINC000042579769 564447521 /nfs/dbraw/zinc/44/75/21/564447521.db2.gz OHERWMVWIHHQDQ-INIZCTEOSA-N 0 1 376.303 3.134 20 0 GGADMN COc1ccsc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000123405897 564448234 /nfs/dbraw/zinc/44/82/34/564448234.db2.gz JSFASYBQWZAMFZ-ZBFHGGJFSA-N 0 1 380.535 3.088 20 0 GGADMN CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000123492485 564450675 /nfs/dbraw/zinc/45/06/75/564450675.db2.gz NLQNATLUGZQITE-MRXNPFEDSA-N 0 1 381.973 3.304 20 0 GGADMN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044256551 564464915 /nfs/dbraw/zinc/46/49/15/564464915.db2.gz CFOVTJZRIYUCRH-UHFFFAOYSA-N 0 1 377.846 3.074 20 0 GGADMN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c1 ZINC000044257151 564465204 /nfs/dbraw/zinc/46/52/04/564465204.db2.gz ORYKVBJAWUKLOM-UHFFFAOYSA-N 0 1 396.877 3.093 20 0 GGADMN CSc1nnnn1-c1cccc(NS(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000123946464 564466530 /nfs/dbraw/zinc/46/65/30/564466530.db2.gz KPFLGVPPJYGCEV-UHFFFAOYSA-N 0 1 395.897 3.147 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)COC2CCCC2)CC1 ZINC000044337188 564467722 /nfs/dbraw/zinc/46/77/22/564467722.db2.gz NCRTZCYMCYSEDD-UHFFFAOYSA-N 0 1 396.329 3.099 20 0 GGADMN O=S(=O)(Nc1cccc(Br)c1)c1cncc(Br)c1 ZINC000044427692 564468801 /nfs/dbraw/zinc/46/88/01/564468801.db2.gz ZOOIWFJFDHSIIW-UHFFFAOYSA-N 0 1 392.072 3.407 20 0 GGADMN Cc1cc(Br)oc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000044521422 564469683 /nfs/dbraw/zinc/46/96/83/564469683.db2.gz RPKCSWWGRLPIMQ-UHFFFAOYSA-N 0 1 387.343 3.442 20 0 GGADMN CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2Br)cc1 ZINC000124043765 564470077 /nfs/dbraw/zinc/47/00/77/564470077.db2.gz YVIBZFCBOJOXNO-UHFFFAOYSA-N 0 1 397.294 3.308 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000124087372 564471183 /nfs/dbraw/zinc/47/11/83/564471183.db2.gz ZVTJUZZZUCNPOM-RSPPDBIESA-N 0 1 383.510 3.378 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000124087861 564471658 /nfs/dbraw/zinc/47/16/58/564471658.db2.gz ZVTJUZZZUCNPOM-VXMWWYGOSA-N 0 1 383.510 3.378 20 0 GGADMN C[N@@H+](CCN1CCCC1=O)Cc1ccc(Br)c(Br)c1 ZINC000124194837 564473910 /nfs/dbraw/zinc/47/39/10/564473910.db2.gz RDJLJOWPLWDHTL-UHFFFAOYSA-N 0 1 390.119 3.266 20 0 GGADMN CN(CCN1CCCC1=O)Cc1ccc(Br)c(Br)c1 ZINC000124194837 564473914 /nfs/dbraw/zinc/47/39/14/564473914.db2.gz RDJLJOWPLWDHTL-UHFFFAOYSA-N 0 1 390.119 3.266 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2oc(Br)cc2C)c1 ZINC000044944632 564475538 /nfs/dbraw/zinc/47/55/38/564475538.db2.gz XUFSKWYSOIAYCL-UHFFFAOYSA-N 0 1 388.239 3.102 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000044944677 564475891 /nfs/dbraw/zinc/47/58/91/564475891.db2.gz TVHNBBIUGNUWNL-GHMZBOCLSA-N 0 1 379.400 3.493 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000044944680 564476244 /nfs/dbraw/zinc/47/62/44/564476244.db2.gz TVHNBBIUGNUWNL-WDEREUQCSA-N 0 1 379.400 3.493 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000044944664 564476454 /nfs/dbraw/zinc/47/64/54/564476454.db2.gz FONZTVKSATUMCY-ZDUSSCGKSA-N 0 1 379.503 3.446 20 0 GGADMN CN(C(=O)c1ccc(O)c(Cl)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000124280624 564477033 /nfs/dbraw/zinc/47/70/33/564477033.db2.gz WEJMEWBESQQFLW-CYBMUJFWSA-N 0 1 386.256 3.300 20 0 GGADMN O=C(COc1ccc(Br)cc1F)N1CCN(C2CCCC2)CC1 ZINC000045083364 564477881 /nfs/dbraw/zinc/47/78/81/564477881.db2.gz FUTLOKUVSFXJOB-UHFFFAOYSA-N 0 1 385.277 3.054 20 0 GGADMN O=C(CCCc1ccccc1Br)N1CCN(C2CCOCC2)CC1 ZINC000124320013 564478708 /nfs/dbraw/zinc/47/87/08/564478708.db2.gz OFIUUBXDZSJJHI-UHFFFAOYSA-N 0 1 395.341 3.095 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H](C)O1 ZINC000124342404 564478806 /nfs/dbraw/zinc/47/88/06/564478806.db2.gz LDFBZIUSIDWXFV-CHWSQXEVSA-N 0 1 394.313 3.160 20 0 GGADMN CNC(=O)C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000124393884 564480567 /nfs/dbraw/zinc/48/05/67/564480567.db2.gz ZYTKQEWLMFLJRU-NWDGAFQWSA-N 0 1 386.323 3.017 20 0 GGADMN CNC(=O)C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000124394279 564480841 /nfs/dbraw/zinc/48/08/41/564480841.db2.gz ZYTKQEWLMFLJRU-RYUDHWBXSA-N 0 1 386.323 3.017 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccccc2Br)C[C@H](C)O1 ZINC000045455709 564484410 /nfs/dbraw/zinc/48/44/10/564484410.db2.gz ZXSTUJSFTXYPQP-GASCZTMLSA-N 0 1 398.345 3.090 20 0 GGADMN COc1ccc(C(=O)NCCN2CCc3ccccc3C2)c(Br)c1 ZINC000124516743 564484506 /nfs/dbraw/zinc/48/45/06/564484506.db2.gz MEGUPUFAUMVNME-UHFFFAOYSA-N 0 1 389.293 3.246 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000045538846 564485188 /nfs/dbraw/zinc/48/51/88/564485188.db2.gz CFTJDBDTWOWSNX-LBPRGKRZSA-N 0 1 379.302 3.344 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c1 ZINC000124724106 564490220 /nfs/dbraw/zinc/49/02/20/564490220.db2.gz BFUGXKJZQBKSFY-UHFFFAOYSA-N 0 1 377.853 3.063 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNC[C@H]1CCS(=O)(=O)C1 ZINC000045822163 564490547 /nfs/dbraw/zinc/49/05/47/564490547.db2.gz DPZMAOJWVOJJAN-CQSZACIVSA-N 0 1 381.929 3.173 20 0 GGADMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNC[C@@H]1CCS(=O)(=O)C1 ZINC000045822162 564490867 /nfs/dbraw/zinc/49/08/67/564490867.db2.gz DPZMAOJWVOJJAN-AWEZNQCLSA-N 0 1 381.929 3.173 20 0 GGADMN CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2Br)ccc1F ZINC000045867944 564491830 /nfs/dbraw/zinc/49/18/30/564491830.db2.gz XLYMBYGXXWOFIQ-UHFFFAOYSA-N 0 1 387.230 3.347 20 0 GGADMN C[C@H]1CCCC[C@@H]1OCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000046038046 564493444 /nfs/dbraw/zinc/49/34/44/564493444.db2.gz MXCTVYLJXQVOQN-RDJZCZTQSA-N 0 1 386.583 3.086 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000046038045 564493548 /nfs/dbraw/zinc/49/35/48/564493548.db2.gz MXCTVYLJXQVOQN-WBVHZDCISA-N 0 1 386.583 3.086 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CC[C@@H]2CCCO2)CC1 ZINC000046164255 564497219 /nfs/dbraw/zinc/49/72/19/564497219.db2.gz RFUBMQFTULNIOL-HNNXBMFYSA-N 0 1 396.329 3.099 20 0 GGADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCNC[C@H]1C ZINC000124932062 564498014 /nfs/dbraw/zinc/49/80/14/564498014.db2.gz LLRSGOVWTXNLNX-LLVKDONJSA-N 0 1 381.307 3.159 20 0 GGADMN Cc1cc(Br)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1 ZINC000125303310 564510313 /nfs/dbraw/zinc/51/03/13/564510313.db2.gz JAVGBBCKSWVYRL-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCNC[C@H]1C ZINC000125343211 564511018 /nfs/dbraw/zinc/51/10/18/564511018.db2.gz BQIWJSNGLHIUPK-GFCCVEGCSA-N 0 1 377.897 3.396 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1cccs1 ZINC000125426888 564513785 /nfs/dbraw/zinc/51/37/85/564513785.db2.gz VUJIUWAFALMELK-ZDUSSCGKSA-N 0 1 376.507 3.217 20 0 GGADMN COC(=O)c1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000125526263 564517647 /nfs/dbraw/zinc/51/76/47/564517647.db2.gz FJVCWJRKEMAAKD-KRWDZBQOSA-N 0 1 378.266 3.401 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000047303026 564518209 /nfs/dbraw/zinc/51/82/09/564518209.db2.gz OTXOWJXGMBPQNZ-CYBMUJFWSA-N 0 1 394.313 3.017 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1F ZINC000047317836 564518328 /nfs/dbraw/zinc/51/83/28/564518328.db2.gz SQEDHMDVBKQNRK-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)C[C@H](C)O1 ZINC000047434831 564521009 /nfs/dbraw/zinc/52/10/09/564521009.db2.gz HJSVXZJGANORPH-STQMWFEESA-N 0 1 394.313 3.160 20 0 GGADMN O=S(=O)(Nc1ccccc1-n1cccn1)c1ccccc1Br ZINC000047991927 564529618 /nfs/dbraw/zinc/52/96/18/564529618.db2.gz SMDPJOBWHVIVGW-UHFFFAOYSA-N 0 1 378.251 3.436 20 0 GGADMN COc1ccc(CCCN(C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000125876375 564529732 /nfs/dbraw/zinc/52/97/32/564529732.db2.gz CSZKYZIODMGJJG-UHFFFAOYSA-N 0 1 392.297 3.356 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2cc3cc(Br)ccc3o2)C[C@H](C)O1 ZINC000048135816 564531944 /nfs/dbraw/zinc/53/19/44/564531944.db2.gz KKBJYDCNKACPLY-STQMWFEESA-N 0 1 395.297 3.424 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3cccc(Cl)c3Cl)ccn2)CC1 ZINC000048329518 564536449 /nfs/dbraw/zinc/53/64/49/564536449.db2.gz VDXGBHMARRPGEB-UHFFFAOYSA-N 0 1 379.291 3.070 20 0 GGADMN Brc1ccc(-c2c[nH]c(CN3CCC4(CC3)OCCO4)n2)cc1 ZINC000126114039 564537637 /nfs/dbraw/zinc/53/76/37/564537637.db2.gz GPQOUMVLXQWVRT-UHFFFAOYSA-N 0 1 378.270 3.178 20 0 GGADMN CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)nc1C ZINC000126184443 564539680 /nfs/dbraw/zinc/53/96/80/564539680.db2.gz HIDOJIJVFKGNPR-UHFFFAOYSA-N 0 1 378.679 3.428 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCN(CC3CC3)CC2)ccc1Br ZINC000126215672 564540771 /nfs/dbraw/zinc/54/07/71/564540771.db2.gz OUPSOUNDWSWYFM-AWEZNQCLSA-N 0 1 380.330 3.112 20 0 GGADMN O=C(CCSc1ccccc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000048480711 564541375 /nfs/dbraw/zinc/54/13/75/564541375.db2.gz CFYGRALDMLYZEB-UHFFFAOYSA-N 0 1 382.957 3.393 20 0 GGADMN CC(C)c1nc(C(=O)N2CCNC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000126288674 564544153 /nfs/dbraw/zinc/54/41/53/564544153.db2.gz DSHFAIHFJOTVKX-NSHDSACASA-N 0 1 382.295 3.131 20 0 GGADMN CN1CCCN(C(=O)c2csc(-c3cc(Br)cs3)n2)CC1 ZINC000126337983 564545386 /nfs/dbraw/zinc/54/53/86/564545386.db2.gz OLDCCADKLGFVAW-UHFFFAOYSA-N 0 1 386.340 3.412 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1cccs1 ZINC000048742272 564545533 /nfs/dbraw/zinc/54/55/33/564545533.db2.gz RAAHZSCDFPCOMN-CYBMUJFWSA-N 0 1 386.304 3.413 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)n(-c2ccc(C)nn2)n1 ZINC000126343409 564545587 /nfs/dbraw/zinc/54/55/87/564545587.db2.gz VEZZBIZDPAPRTK-UHFFFAOYSA-N 0 1 398.275 3.387 20 0 GGADMN O=S(=O)(NCc1cccc(Br)c1)c1c(F)cc(F)cc1F ZINC000048866828 564546458 /nfs/dbraw/zinc/54/64/58/564546458.db2.gz CJSCMYVJTMLHKZ-UHFFFAOYSA-N 0 1 380.185 3.345 20 0 GGADMN CC(C)(C)c1nnc(S[C@H](C(N)=O)c2ccc(Br)cc2F)[nH]1 ZINC000126363288 564546862 /nfs/dbraw/zinc/54/68/62/564546862.db2.gz HGFKITDYJNHVTF-JTQLQIEISA-N 0 1 387.278 3.323 20 0 GGADMN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c[nH]c1=O ZINC000126443922 564549581 /nfs/dbraw/zinc/54/95/81/564549581.db2.gz BCYFMMABIYQNQX-UHFFFAOYSA-N 0 1 395.637 3.039 20 0 GGADMN O=C(COc1cccc(Br)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000050041065 564555366 /nfs/dbraw/zinc/55/53/66/564555366.db2.gz DBUXPFUPRNSSTA-INIZCTEOSA-N 0 1 393.281 3.374 20 0 GGADMN O=C(CCc1cc(Cl)cc(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000126658031 564556920 /nfs/dbraw/zinc/55/69/20/564556920.db2.gz YYPINNOYMIQZLD-MRXNPFEDSA-N 0 1 385.335 3.497 20 0 GGADMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccccc3Br)cc2)n[nH]1 ZINC000050535217 564559169 /nfs/dbraw/zinc/55/91/69/564559169.db2.gz UBSGRJQQIGXOAJ-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN O=C(Cc1[nH]nc2ccccc21)NCCc1cc(Br)ccc1F ZINC000050613034 564559234 /nfs/dbraw/zinc/55/92/34/564559234.db2.gz TVLKIWHFRNOWEK-UHFFFAOYSA-N 0 1 376.229 3.366 20 0 GGADMN CCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000050998892 564560550 /nfs/dbraw/zinc/56/05/50/564560550.db2.gz DVWKJUQBURIPBQ-KBPBESRZSA-N 0 1 396.329 3.014 20 0 GGADMN O=C(CNCc1cc2c(c(Br)c1)OCO2)Nc1cccc(F)c1 ZINC000051188866 564563011 /nfs/dbraw/zinc/56/30/11/564563011.db2.gz XFMQQDCRXXSGGP-UHFFFAOYSA-N 0 1 381.201 3.045 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cc(Br)ccc2-n2cncn2)c1 ZINC000052023560 564567832 /nfs/dbraw/zinc/56/78/32/564567832.db2.gz RBJMZCVDEFGJFF-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000052025339 564568384 /nfs/dbraw/zinc/56/83/84/564568384.db2.gz RZLXWWPGCAUITE-UHFFFAOYSA-N 0 1 387.910 3.464 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cc(Cl)ccc2Br)C[C@H](C)O1 ZINC000126949026 564568575 /nfs/dbraw/zinc/56/85/75/564568575.db2.gz NXAYXHHLNNVDCC-TXEJJXNPSA-N 0 1 389.721 3.332 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1Cl ZINC000127008748 564570581 /nfs/dbraw/zinc/57/05/81/564570581.db2.gz ZVYJWYBHONOCDW-UHFFFAOYSA-N 0 1 396.881 3.415 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000127055174 564572545 /nfs/dbraw/zinc/57/25/45/564572545.db2.gz YFLDLGPIJSRRRS-HZPDHXFCSA-N 0 1 379.287 3.359 20 0 GGADMN O=C(CCc1ccc(Cl)s1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127079358 564572639 /nfs/dbraw/zinc/57/26/39/564572639.db2.gz QDHUPGIOGSGUQM-HZPDHXFCSA-N 0 1 378.925 3.086 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000127132259 564574384 /nfs/dbraw/zinc/57/43/84/564574384.db2.gz BFKDKRPWZFNQMK-HUUCEWRRSA-N 0 1 379.287 3.359 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)CC(F)(F)F)n1 ZINC000127145982 564574953 /nfs/dbraw/zinc/57/49/53/564574953.db2.gz LWKIVOHMFVZTQN-UHFFFAOYSA-N 0 1 394.806 3.247 20 0 GGADMN COc1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1Br ZINC000127174083 564576370 /nfs/dbraw/zinc/57/63/70/564576370.db2.gz RCPQZWHAHSALDZ-OAHLLOKOSA-N 0 1 381.314 3.196 20 0 GGADMN CCCN(CCO)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000052691175 564576553 /nfs/dbraw/zinc/57/65/53/564576553.db2.gz XABJBFDOOKPWRJ-UHFFFAOYSA-N 0 1 383.208 3.111 20 0 GGADMN CN(C)S(=O)(=O)c1cccc(CN(C)CCOc2ccccc2Cl)c1 ZINC000052711324 564576650 /nfs/dbraw/zinc/57/66/50/564576650.db2.gz IJUPOPJCGWICSV-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000052840320 564577062 /nfs/dbraw/zinc/57/70/62/564577062.db2.gz SOYJRZVJCBDQNU-HNNXBMFYSA-N 0 1 377.897 3.293 20 0 GGADMN Cc1noc([C@@H]2CCCN(C[C@H](O)COc3ccc(Cl)cc3Cl)C2)n1 ZINC000052863743 564578291 /nfs/dbraw/zinc/57/82/91/564578291.db2.gz JAASMMCFBKTXRG-OCCSQVGLSA-N 0 1 386.279 3.304 20 0 GGADMN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cc(O)ccc1Br ZINC000127358517 564580662 /nfs/dbraw/zinc/58/06/62/564580662.db2.gz XHHPLPNUQIVVMR-CQSZACIVSA-N 0 1 375.266 3.329 20 0 GGADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(Cl)c2cccnc12 ZINC000053220106 564583050 /nfs/dbraw/zinc/58/30/50/564583050.db2.gz ZFJOIWCRGVKOSJ-OAHLLOKOSA-N 0 1 381.929 3.182 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cc(C(N)=O)cs1)c1ccccc1Cl ZINC000053272537 564584182 /nfs/dbraw/zinc/58/41/82/564584182.db2.gz UJUBSDLVORVBJL-OAHLLOKOSA-N 0 1 379.913 3.313 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000053431211 564588298 /nfs/dbraw/zinc/58/82/98/564588298.db2.gz TXOAYKOKFAWPAQ-CQSZACIVSA-N 0 1 378.270 3.480 20 0 GGADMN O=C(c1cc(Br)ccc1O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127595948 564589066 /nfs/dbraw/zinc/58/90/66/564589066.db2.gz JDALSAGHZOVULC-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1cc(Br)ccc1[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000127595948 564589068 /nfs/dbraw/zinc/58/90/68/564589068.db2.gz JDALSAGHZOVULC-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1cc(Br)ccc1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127595948 564589069 /nfs/dbraw/zinc/58/90/69/564589069.db2.gz JDALSAGHZOVULC-LRDDRELGSA-N 0 1 379.298 3.244 20 0 GGADMN COC(=O)c1sc(NCC2(N3CCSCC3)CCCC2)nc1Cl ZINC000053560935 564590351 /nfs/dbraw/zinc/59/03/51/564590351.db2.gz FJEWZOACCFOGFD-UHFFFAOYSA-N 0 1 375.947 3.357 20 0 GGADMN O=C(c1ccc(Br)cc1O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127651794 564590767 /nfs/dbraw/zinc/59/07/67/564590767.db2.gz HFGBXHDCUKCSAH-WBMJQRKESA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127651794 564590770 /nfs/dbraw/zinc/59/07/70/564590770.db2.gz HFGBXHDCUKCSAH-WBMJQRKESA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127651794 564590772 /nfs/dbraw/zinc/59/07/72/564590772.db2.gz HFGBXHDCUKCSAH-WBMJQRKESA-N 0 1 379.298 3.244 20 0 GGADMN CN(Cc1ccc(Br)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000127669243 564591434 /nfs/dbraw/zinc/59/14/34/564591434.db2.gz OBHLJUFHRNYPCA-ZDUSSCGKSA-N 0 1 379.220 3.434 20 0 GGADMN COc1ccc(-c2ccc(CNC(=O)CN(C)[C@@H]3CCSC3)s2)cc1 ZINC000127702504 564592540 /nfs/dbraw/zinc/59/25/40/564592540.db2.gz QXLPWAOFVJSCMW-OAHLLOKOSA-N 0 1 376.547 3.477 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[nH]1 ZINC000053673850 564593150 /nfs/dbraw/zinc/59/31/50/564593150.db2.gz GGNBSTRDMQSLIF-UHFFFAOYSA-N 0 1 397.291 3.396 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)n1 ZINC000053673850 564593154 /nfs/dbraw/zinc/59/31/54/564593154.db2.gz GGNBSTRDMQSLIF-UHFFFAOYSA-N 0 1 397.291 3.396 20 0 GGADMN FC(F)(F)COCCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000053702258 564594064 /nfs/dbraw/zinc/59/40/64/564594064.db2.gz SRPSRGHCGSADGD-UHFFFAOYSA-N 0 1 380.838 3.305 20 0 GGADMN Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000053746092 564594198 /nfs/dbraw/zinc/59/41/98/564594198.db2.gz HANKZSAJEYYNME-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000053980870 564596625 /nfs/dbraw/zinc/59/66/25/564596625.db2.gz KIZILMXRDKZVBO-HNNXBMFYSA-N 0 1 384.318 3.236 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000053981553 564597002 /nfs/dbraw/zinc/59/70/02/564597002.db2.gz AVMHOTSUTKORBV-ZDUSSCGKSA-N 0 1 388.281 3.067 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1CO ZINC000054040898 564598273 /nfs/dbraw/zinc/59/82/73/564598273.db2.gz KEDGZRONOGQLAS-UHFFFAOYSA-N 0 1 375.368 3.397 20 0 GGADMN CC(C)c1ncc(CNCCNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000127860505 564598915 /nfs/dbraw/zinc/59/89/15/564598915.db2.gz IGJSJLQWQZURLE-UHFFFAOYSA-N 0 1 379.960 3.050 20 0 GGADMN CCC1(CO)CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000127931648 564601414 /nfs/dbraw/zinc/60/14/14/564601414.db2.gz NSDOHBFFINDIGP-AWEZNQCLSA-N 0 1 383.330 3.111 20 0 GGADMN CCC1(CO)CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000127931832 564601636 /nfs/dbraw/zinc/60/16/36/564601636.db2.gz NSDOHBFFINDIGP-CQSZACIVSA-N 0 1 383.330 3.111 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1cc(Br)cn1C)c1cccs1 ZINC000128013890 564603468 /nfs/dbraw/zinc/60/34/68/564603468.db2.gz GUIYHUKWDWAURS-CQSZACIVSA-N 0 1 399.358 3.293 20 0 GGADMN COC(=O)C[C@H]1CCCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000054394794 564604856 /nfs/dbraw/zinc/60/48/56/564604856.db2.gz OEPRTJKLAUZDIT-XJKSGUPXSA-N 0 1 397.313 3.044 20 0 GGADMN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(Br)c(O)c1 ZINC000128079604 564606833 /nfs/dbraw/zinc/60/68/33/564606833.db2.gz IEXXTJBRYJTXTA-UHFFFAOYSA-N 0 1 395.228 3.383 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000128102961 564607460 /nfs/dbraw/zinc/60/74/60/564607460.db2.gz VTWOXOVXCAWSGZ-UHFFFAOYSA-N 0 1 387.328 3.257 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000128102961 564607463 /nfs/dbraw/zinc/60/74/63/564607463.db2.gz VTWOXOVXCAWSGZ-UHFFFAOYSA-N 0 1 387.328 3.257 20 0 GGADMN C[C@@H](OC[C@H](O)CN1CCC(O)(C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000128190582 564610798 /nfs/dbraw/zinc/61/07/98/564610798.db2.gz SQRGONKUALWLNW-IUODEOHRSA-N 0 1 381.822 3.168 20 0 GGADMN CC(C)(C)c1n[nH]c(SC[C@H](O)COc2ccc(Br)cc2)n1 ZINC000054866413 564611021 /nfs/dbraw/zinc/61/10/21/564611021.db2.gz YDUHUKXAAFLRJG-LLVKDONJSA-N 0 1 386.315 3.397 20 0 GGADMN CC(C)(C)c1nc(SC[C@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000054866413 564611025 /nfs/dbraw/zinc/61/10/25/564611025.db2.gz YDUHUKXAAFLRJG-LLVKDONJSA-N 0 1 386.315 3.397 20 0 GGADMN CCCCCS(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000128314683 564614344 /nfs/dbraw/zinc/61/43/44/564614344.db2.gz JQCKMENGDUNFMX-ZDUSSCGKSA-N 0 1 376.404 3.023 20 0 GGADMN Cc1ncc(CNCc2ccc(Br)cc2N2CCOCC2)s1 ZINC000128340260 564615028 /nfs/dbraw/zinc/61/50/28/564615028.db2.gz XZGZKSFVBYVYME-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN CCOC(=O)Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)s1 ZINC000128332609 564615204 /nfs/dbraw/zinc/61/52/04/564615204.db2.gz ZBIYCGVKQPVRDA-UHFFFAOYSA-N 0 1 398.853 3.266 20 0 GGADMN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000128369164 564615957 /nfs/dbraw/zinc/61/59/57/564615957.db2.gz DWOLWKZURBYTEI-LRDDRELGSA-N 0 1 378.270 3.072 20 0 GGADMN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000128369872 564615981 /nfs/dbraw/zinc/61/59/81/564615981.db2.gz DWOLWKZURBYTEI-MLGOLLRUSA-N 0 1 378.270 3.072 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)c1ccsc1 ZINC000055220006 564617043 /nfs/dbraw/zinc/61/70/43/564617043.db2.gz AGYALBORZNIKHF-CYBMUJFWSA-N 0 1 397.294 3.272 20 0 GGADMN Cc1cc(C(=O)N2CCN(C(C)C)CC2)c2ccc(Br)cc2n1 ZINC000055255671 564618271 /nfs/dbraw/zinc/61/82/71/564618271.db2.gz ZQVMRUTXEIMMSJ-UHFFFAOYSA-N 0 1 376.298 3.472 20 0 GGADMN CSC[C@@H](C)NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000128457693 564618957 /nfs/dbraw/zinc/61/89/57/564618957.db2.gz XQQLWGZGEXGJJE-CYBMUJFWSA-N 0 1 379.551 3.487 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000128470134 564619640 /nfs/dbraw/zinc/61/96/40/564619640.db2.gz ICDFQZMABLMWJT-ZSZQSSIHSA-N 0 1 395.341 3.253 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000128547578 564621601 /nfs/dbraw/zinc/62/16/01/564621601.db2.gz TUNCDULCYVTFEG-ZDUSSCGKSA-N 0 1 386.470 3.135 20 0 GGADMN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000055558716 564624608 /nfs/dbraw/zinc/62/46/08/564624608.db2.gz WVWYUOAMXOVEKS-UHFFFAOYSA-N 0 1 382.869 3.094 20 0 GGADMN CC(C)(O)[C@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000128679458 564625312 /nfs/dbraw/zinc/62/53/12/564625312.db2.gz RQFVSYKOCWWKCJ-OAHLLOKOSA-N 0 1 378.270 3.215 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1F ZINC000055633739 564627362 /nfs/dbraw/zinc/62/73/62/564627362.db2.gz SPQBHWPKIJUARW-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000055632836 564627546 /nfs/dbraw/zinc/62/75/46/564627546.db2.gz HLDSMEFTIFYMOZ-UHFFFAOYSA-N 0 1 394.250 3.202 20 0 GGADMN COc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000055639389 564627708 /nfs/dbraw/zinc/62/77/08/564627708.db2.gz PPVBHFMAVUETHK-UHFFFAOYSA-N 0 1 380.853 3.042 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1Cl ZINC000055648431 564628330 /nfs/dbraw/zinc/62/83/30/564628330.db2.gz CUCWKPSTEZEFMJ-UHFFFAOYSA-N 0 1 377.224 3.293 20 0 GGADMN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000055665978 564628668 /nfs/dbraw/zinc/62/86/68/564628668.db2.gz UBSWMAHASKDVGY-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN O=S(=O)(Nc1ccccc1Cn1cncn1)c1cc(Cl)ccc1Cl ZINC000055686746 564629246 /nfs/dbraw/zinc/62/92/46/564629246.db2.gz LJRAGPSOMOQVNK-UHFFFAOYSA-N 0 1 383.260 3.434 20 0 GGADMN O=S(=O)(Nc1cccc2c1OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC000055685714 564629361 /nfs/dbraw/zinc/62/93/61/564629361.db2.gz YRMILNZITXBKSW-UHFFFAOYSA-N 0 1 375.324 3.157 20 0 GGADMN COc1ccc(Br)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000055688670 564629370 /nfs/dbraw/zinc/62/93/70/564629370.db2.gz IHLHUCLORMAFGF-UHFFFAOYSA-N 0 1 384.251 3.461 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCOC[C@@H]1C1CC1 ZINC000128789512 564630650 /nfs/dbraw/zinc/63/06/50/564630650.db2.gz DNKVIRRPTHPVFZ-MRXNPFEDSA-N 0 1 376.254 3.090 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000128888458 564631846 /nfs/dbraw/zinc/63/18/46/564631846.db2.gz CUWPPLSUBPWBOA-UHFFFAOYSA-N 0 1 383.283 3.132 20 0 GGADMN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000128966012 564635102 /nfs/dbraw/zinc/63/51/02/564635102.db2.gz HHICZRQEAPEORV-OLZOCXBDSA-N 0 1 378.270 3.072 20 0 GGADMN Cc1ccc(Br)c(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000129011739 564635746 /nfs/dbraw/zinc/63/57/46/564635746.db2.gz YVKDFSHDZKBDOP-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN CCC[C@H](N[C@@H](C)Cn1cc(Br)cn1)c1nnc2ccccn21 ZINC000129194817 564640603 /nfs/dbraw/zinc/64/06/03/564640603.db2.gz SMIVYWZTXQTOPV-JSGCOSHPSA-N 0 1 377.290 3.208 20 0 GGADMN COC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC000056135819 564642941 /nfs/dbraw/zinc/64/29/41/564642941.db2.gz BKCXSNVJFVOTNK-UHFFFAOYSA-N 0 1 376.825 3.154 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)C1=Cc2cc(Br)ccc2OC1 ZINC000522231296 564648072 /nfs/dbraw/zinc/64/80/72/564648072.db2.gz LFYAKSZLJXHAEI-UHFFFAOYSA-N 0 1 397.232 3.444 20 0 GGADMN CNC(=O)c1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl ZINC000056695017 564652486 /nfs/dbraw/zinc/65/24/86/564652486.db2.gz ZLMMCUSEGCMFNW-CQSZACIVSA-N 0 1 380.901 3.186 20 0 GGADMN CCc1[nH]nc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1Br ZINC000129599826 564654385 /nfs/dbraw/zinc/65/43/85/564654385.db2.gz ZWYXRRYATCKLJH-UHFFFAOYSA-N 0 1 390.241 3.386 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3ccccc3Br)c2)CC1 ZINC000057053818 564658843 /nfs/dbraw/zinc/65/88/43/564658843.db2.gz ULAHUFBHVXCVIY-UHFFFAOYSA-N 0 1 388.309 3.449 20 0 GGADMN COc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000057123370 564660994 /nfs/dbraw/zinc/66/09/94/564660994.db2.gz QBPWTYFPAYMULZ-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CCCCOc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000057120849 564661012 /nfs/dbraw/zinc/66/10/12/564661012.db2.gz 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ZINC000132323409 564740852 /nfs/dbraw/zinc/74/08/52/564740852.db2.gz HCBVGYUONGSQHA-UHFFFAOYSA-N 0 1 382.869 3.328 20 0 GGADMN O=S(=O)(NCCc1cc(Br)ccc1F)c1c(F)cccc1F ZINC000065277796 564741648 /nfs/dbraw/zinc/74/16/48/564741648.db2.gz STCUMHOOSYOKOJ-UHFFFAOYSA-N 0 1 394.212 3.387 20 0 GGADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3O)ccc21 ZINC000132428956 564743136 /nfs/dbraw/zinc/74/31/36/564743136.db2.gz ANUHVVQYDYLMNS-UHFFFAOYSA-N 0 1 380.853 3.146 20 0 GGADMN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H]2c2cccc(Br)c2)C[C@H](C)O1 ZINC000065511443 564743678 /nfs/dbraw/zinc/74/36/78/564743678.db2.gz SBXDGMQFQDYBDC-QGWWYQLQSA-N 0 1 397.357 3.056 20 0 GGADMN O=S(=O)(CCNCc1ccc(Br)s1)c1ccc(F)cc1 ZINC000132546340 564746670 /nfs/dbraw/zinc/74/66/70/564746670.db2.gz DTVHTZFLYDXPMH-UHFFFAOYSA-N 0 1 378.288 3.213 20 0 GGADMN O=S(=O)(CCNCc1ccc(Br)c(F)c1)c1ccc(F)cc1 ZINC000132550438 564746854 /nfs/dbraw/zinc/74/68/54/564746854.db2.gz NPXUFXFTFRCUSG-UHFFFAOYSA-N 0 1 390.249 3.291 20 0 GGADMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000065972207 564752590 /nfs/dbraw/zinc/75/25/90/564752590.db2.gz PWPSPBYBRNCEDL-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CCOc1cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)ccc1OC ZINC000065935922 564752626 /nfs/dbraw/zinc/75/26/26/564752626.db2.gz KQNHKBLHMFCPOH-UHFFFAOYSA-N 0 1 383.897 3.311 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000065972641 564753516 /nfs/dbraw/zinc/75/35/16/564753516.db2.gz SESBNPWUSGJCNZ-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)s1 ZINC000065972627 564754123 /nfs/dbraw/zinc/75/41/23/564754123.db2.gz ZSHYWFHNHYWOCS-UHFFFAOYSA-N 0 1 394.896 3.432 20 0 GGADMN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Br)cc1O ZINC000066043104 564754899 /nfs/dbraw/zinc/75/48/99/564754899.db2.gz JFOGITJAYNBMAN-UHFFFAOYSA-N 0 1 375.222 3.299 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)Cc1ccccc1 ZINC000132837340 564754945 /nfs/dbraw/zinc/75/49/45/564754945.db2.gz PUORPMXLFXMGPO-HNNXBMFYSA-N 0 1 377.282 3.057 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(Br)c([O-])c2)[NH+](C)C)c1 ZINC000132840450 564755125 /nfs/dbraw/zinc/75/51/25/564755125.db2.gz PSNBVGYLGHTJEX-MRXNPFEDSA-N 0 1 393.281 3.196 20 0 GGADMN C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000066046982 564755124 /nfs/dbraw/zinc/75/51/24/564755124.db2.gz RETJOZCWQASDBX-UHFFFAOYSA-N 0 1 393.281 3.025 20 0 GGADMN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000066106054 564755754 /nfs/dbraw/zinc/75/57/54/564755754.db2.gz LNKBBUOYSZHMIL-GFCCVEGCSA-N 0 1 382.835 3.218 20 0 GGADMN CCN1CCc2nc(NC(=O)c3ccc(Br)c(O)c3)sc2C1 ZINC000132994671 564759982 /nfs/dbraw/zinc/75/99/82/564759982.db2.gz UJUYMSJRIPADBB-UHFFFAOYSA-N 0 1 382.283 3.242 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000066306386 564761692 /nfs/dbraw/zinc/76/16/92/564761692.db2.gz MFUYLPBKWCMEOB-UHFFFAOYSA-N 0 1 377.796 3.444 20 0 GGADMN COc1ccccc1-c1nc(NC(=O)c2ccc(Br)c(O)c2)n[nH]1 ZINC000133080923 564762075 /nfs/dbraw/zinc/76/20/75/564762075.db2.gz VMRYFOPLEFSBFN-UHFFFAOYSA-N 0 1 389.209 3.201 20 0 GGADMN CN(C(=O)CSCc1cscn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000133107758 564762753 /nfs/dbraw/zinc/76/27/53/564762753.db2.gz XHWZYZCTQQETLY-SFHVURJKSA-N 0 1 375.563 3.499 20 0 GGADMN CS(=O)(=O)Nc1ccccc1C(=O)N1CCc2cc(Br)ccc21 ZINC000066337740 564763040 /nfs/dbraw/zinc/76/30/40/564763040.db2.gz WOPHAGFXGPPMGI-UHFFFAOYSA-N 0 1 395.278 3.024 20 0 GGADMN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(Br)cc2F)cn1 ZINC000133140696 564764940 /nfs/dbraw/zinc/76/49/40/564764940.db2.gz MDUZLPBMCSMNFP-UHFFFAOYSA-N 0 1 388.262 3.477 20 0 GGADMN O[C@@H](CN1CCN(CCc2cccs2)CC1)c1cccc(Br)c1 ZINC000066434810 564765458 /nfs/dbraw/zinc/76/54/58/564765458.db2.gz YWYMVUOGUNJIGO-SFHVURJKSA-N 0 1 395.366 3.404 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000133187825 564765487 /nfs/dbraw/zinc/76/54/87/564765487.db2.gz DFMSAFBHFHJUCN-UHFFFAOYSA-N 0 1 399.266 3.169 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000133225283 564766639 /nfs/dbraw/zinc/76/66/39/564766639.db2.gz LNEVZHOCIWQIGO-UHFFFAOYSA-N 0 1 397.236 3.467 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1ccc(Br)c([O-])c1)c1ccc(F)cc1 ZINC000133203362 564766852 /nfs/dbraw/zinc/76/68/52/564766852.db2.gz MDPFVHLXDMXBGZ-OAHLLOKOSA-N 0 1 381.245 3.327 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000066577401 564769108 /nfs/dbraw/zinc/76/91/08/564769108.db2.gz AVEYAJPPPUGWSV-UHFFFAOYSA-N 0 1 375.324 3.015 20 0 GGADMN CC(C)c1ccc(S(=O)(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 ZINC000066588405 564769950 /nfs/dbraw/zinc/76/99/50/564769950.db2.gz OQGLNMLAIVMEBY-UHFFFAOYSA-N 0 1 389.445 3.293 20 0 GGADMN NC(=O)[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1F ZINC000133365009 564771241 /nfs/dbraw/zinc/77/12/41/564771241.db2.gz MDCJVJZPVRGFHJ-WFASDCNBSA-N 0 1 385.277 3.196 20 0 GGADMN NC(=O)[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1F ZINC000133364583 564771346 /nfs/dbraw/zinc/77/13/46/564771346.db2.gz MDCJVJZPVRGFHJ-DOMZBBRYSA-N 0 1 385.277 3.196 20 0 GGADMN NC(=O)[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Br)cc1F ZINC000133364799 564771424 /nfs/dbraw/zinc/77/14/24/564771424.db2.gz MDCJVJZPVRGFHJ-IUODEOHRSA-N 0 1 385.277 3.196 20 0 GGADMN C[C@@H](C1CC1)N(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000066901171 564777678 /nfs/dbraw/zinc/77/76/78/564777678.db2.gz NTBSAKHISMPSKZ-DOTOQJQBSA-N 0 1 385.599 3.086 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000066879236 564777888 /nfs/dbraw/zinc/77/78/88/564777888.db2.gz CGMGPBVYXGXQSW-UHFFFAOYSA-N 0 1 381.929 3.134 20 0 GGADMN CSC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000133576612 564778604 /nfs/dbraw/zinc/77/86/04/564778604.db2.gz KPGDTDORSGWHNI-SWLSCSKDSA-N 0 1 375.460 3.330 20 0 GGADMN O=S(=O)(c1ccccn1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000133639534 564780843 /nfs/dbraw/zinc/78/08/43/564780843.db2.gz OAWTYWYVUQMWSE-UHFFFAOYSA-N 0 1 379.913 3.022 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000067020451 564781574 /nfs/dbraw/zinc/78/15/74/564781574.db2.gz DFGSACRMSMSUIA-UHFFFAOYSA-N 0 1 376.869 3.196 20 0 GGADMN CC(C)CN1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000067375336 564790235 /nfs/dbraw/zinc/79/02/35/564790235.db2.gz YDQPCGOEBQYITD-UHFFFAOYSA-N 0 1 393.329 3.197 20 0 GGADMN CC(=O)NCc1ccc(-c2nc(NC(=O)CN(C)C(C)C)sc2C)s1 ZINC000067574064 564795163 /nfs/dbraw/zinc/79/51/63/564795163.db2.gz PTACFRKEUOKVFQ-UHFFFAOYSA-N 0 1 380.539 3.095 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccc(CNCc2cnc(C3CC3)s2)cc1 ZINC000134234555 564797350 /nfs/dbraw/zinc/79/73/50/564797350.db2.gz FAFMTVJNSBINIB-UHFFFAOYSA-N 0 1 379.551 3.138 20 0 GGADMN Cc1csc2nc(CN(CCCO)Cc3cccc(Cl)c3)cc(=O)n12 ZINC000134280342 564799363 /nfs/dbraw/zinc/79/93/63/564799363.db2.gz VQKDSRPEKNOYNI-UHFFFAOYSA-N 0 1 377.897 3.102 20 0 GGADMN O[C@@H](CN1CCC[C@H](c2nnc3n2CCC3)C1)c1ccc(Cl)cc1Cl ZINC000134329260 564800242 /nfs/dbraw/zinc/80/02/42/564800242.db2.gz LEPCQENHSVVPRF-LRDDRELGSA-N 0 1 381.307 3.444 20 0 GGADMN COc1ncccc1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000067890633 564801142 /nfs/dbraw/zinc/80/11/42/564801142.db2.gz HUUQEBSWOBPJNF-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN Cc1ccc(CNCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000134341098 564801178 /nfs/dbraw/zinc/80/11/78/564801178.db2.gz AJFCIURZFMRTBB-UHFFFAOYSA-N 0 1 397.338 3.495 20 0 GGADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)[C@@H](CO)C(C)(C)C ZINC000134402425 564802862 /nfs/dbraw/zinc/80/28/62/564802862.db2.gz UULMPASDQRUSAH-ZDUSSCGKSA-N 0 1 391.295 3.057 20 0 GGADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)[C@H](CO)C(C)(C)C ZINC000134441336 564803509 /nfs/dbraw/zinc/80/35/09/564803509.db2.gz QJVMIRGEGNWMKR-CYBMUJFWSA-N 0 1 377.710 3.380 20 0 GGADMN CCC(=O)N1CC[C@H](NCc2cc(Br)ccc2OC(F)F)C1 ZINC000134522642 564806460 /nfs/dbraw/zinc/80/64/60/564806460.db2.gz IFQMKAJKJWQRNS-LBPRGKRZSA-N 0 1 377.229 3.151 20 0 GGADMN Cc1cc(N2CC[NH+](C)CC2)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000068038740 564806690 /nfs/dbraw/zinc/80/66/90/564806690.db2.gz IROWRXUPRBGCBK-UHFFFAOYSA-N 0 1 379.913 3.201 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000134552188 564807389 /nfs/dbraw/zinc/80/73/89/564807389.db2.gz GTEHRCBSHNDZIS-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2c(F)cccc2CO)sc1Br ZINC000134668545 564811790 /nfs/dbraw/zinc/81/17/90/564811790.db2.gz CZYIJADXHTUGTM-UHFFFAOYSA-N 0 1 380.260 3.251 20 0 GGADMN COc1ccc([C@@H](CNC(=O)CSCC(F)(F)F)N2CCCC2)cc1 ZINC000134687935 564812309 /nfs/dbraw/zinc/81/23/09/564812309.db2.gz XTEQZVWYOMMNDR-OAHLLOKOSA-N 0 1 376.444 3.244 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CSCC(F)(F)F)N2CCCC2)c1 ZINC000134746652 564814557 /nfs/dbraw/zinc/81/45/57/564814557.db2.gz SBZWQCDRPKLFRN-OAHLLOKOSA-N 0 1 376.444 3.244 20 0 GGADMN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134855911 564817012 /nfs/dbraw/zinc/81/70/12/564817012.db2.gz VMLQQNDSNWQGRI-GFCCVEGCSA-N 0 1 381.929 3.273 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000068397367 564817595 /nfs/dbraw/zinc/81/75/95/564817595.db2.gz IBAFPHPDHLSBAQ-LBPRGKRZSA-N 0 1 382.869 3.423 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2O)c1 ZINC000068441105 564818606 /nfs/dbraw/zinc/81/86/06/564818606.db2.gz QZIYUZBFCMREKY-JTQLQIEISA-N 0 1 393.237 3.380 20 0 GGADMN CN1CCN(CCNC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000068467781 564819938 /nfs/dbraw/zinc/81/99/38/564819938.db2.gz BBVIWXDBIDVNNR-UHFFFAOYSA-N 0 1 399.347 3.094 20 0 GGADMN O=C(Nc1nncs1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000068756040 564825591 /nfs/dbraw/zinc/82/55/91/564825591.db2.gz PRBWDDOKBUWJMF-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN COC(=O)[C@@H](O)C1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000135381227 564829915 /nfs/dbraw/zinc/82/99/15/564829915.db2.gz UXTCGURTPZBZGP-HNNXBMFYSA-N 0 1 378.321 3.331 20 0 GGADMN COC(=O)[C@H](O)C1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000135381208 564830441 /nfs/dbraw/zinc/83/04/41/564830441.db2.gz UXTCGURTPZBZGP-OAHLLOKOSA-N 0 1 378.321 3.331 20 0 GGADMN CSC[C@@H]1CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000135460507 564831958 /nfs/dbraw/zinc/83/19/58/564831958.db2.gz SAOVGVVIAUYWSJ-LBPRGKRZSA-N 0 1 377.373 3.296 20 0 GGADMN CCCN(C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000069092909 564832194 /nfs/dbraw/zinc/83/21/94/564832194.db2.gz NUUCQBCGYRKUAD-ZDUSSCGKSA-N 0 1 389.949 3.039 20 0 GGADMN CCCN(C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000069092913 564832498 /nfs/dbraw/zinc/83/24/98/564832498.db2.gz NUUCQBCGYRKUAD-CYBMUJFWSA-N 0 1 389.949 3.039 20 0 GGADMN O=S(=O)(c1ccccc1Br)N1CCC[C@H]1CN1CCCCC1 ZINC000069124831 564833380 /nfs/dbraw/zinc/83/33/80/564833380.db2.gz GXXMGNJVVZABMG-AWEZNQCLSA-N 0 1 387.343 3.088 20 0 GGADMN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]1CN1CCCCC1 ZINC000069124853 564833691 /nfs/dbraw/zinc/83/36/91/564833691.db2.gz NUIWKMSAWZSTAA-LBPRGKRZSA-N 0 1 393.372 3.150 20 0 GGADMN CCS(=O)(=O)CCNCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000069173206 564834495 /nfs/dbraw/zinc/83/44/95/564834495.db2.gz FTZRHKVVJOAEIC-UHFFFAOYSA-N 0 1 380.897 3.117 20 0 GGADMN CCN1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000069156686 564834662 /nfs/dbraw/zinc/83/46/62/564834662.db2.gz AAPYQOMUSJZVPY-UHFFFAOYSA-N 0 1 377.286 3.007 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2)c(O)c1 ZINC000135579632 564835611 /nfs/dbraw/zinc/83/56/11/564835611.db2.gz KDGOFUAAVCKHDU-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722900 564839359 /nfs/dbraw/zinc/83/93/59/564839359.db2.gz XDHMTGHLWWXMDK-BBRMVZONSA-N 0 1 376.444 3.266 20 0 GGADMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722929 564839395 /nfs/dbraw/zinc/83/93/95/564839395.db2.gz XDHMTGHLWWXMDK-CJNGLKHVSA-N 0 1 376.444 3.266 20 0 GGADMN O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1csc2ccc(Cl)cc21 ZINC000135810090 564840634 /nfs/dbraw/zinc/84/06/34/564840634.db2.gz QOTUODCKPDTQRS-UHFFFAOYSA-N 0 1 391.865 3.331 20 0 GGADMN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069711538 564843565 /nfs/dbraw/zinc/84/35/65/564843565.db2.gz GCKPRCIACXIQPJ-HOTGVXAUSA-N 0 1 382.957 3.391 20 0 GGADMN O=C(CCSc1ccccc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069710087 564843642 /nfs/dbraw/zinc/84/36/42/564843642.db2.gz NNIKAQQBLSHNEB-INIZCTEOSA-N 0 1 382.957 3.393 20 0 GGADMN O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069746581 564843710 /nfs/dbraw/zinc/84/37/10/564843710.db2.gz FMVHSHFTVALXRV-MRXNPFEDSA-N 0 1 382.957 3.393 20 0 GGADMN O=C(CCc1ccc(Cl)cc1Cl)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069746630 564843810 /nfs/dbraw/zinc/84/38/10/564843810.db2.gz XRQIMRXTVYDYMA-OAHLLOKOSA-N 0 1 385.335 3.497 20 0 GGADMN O=C(CCSc1ccc(Cl)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000069746582 564843964 /nfs/dbraw/zinc/84/39/64/564843964.db2.gz FMVHSHFTVALXRV-INIZCTEOSA-N 0 1 382.957 3.393 20 0 GGADMN CN(CC(=O)NCC(C)(C)c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000136176270 564846093 /nfs/dbraw/zinc/84/60/93/564846093.db2.gz AKGVWGGKNIGQPK-HNNXBMFYSA-N 0 1 385.371 3.280 20 0 GGADMN CC(C)(CNCc1cncs1)S(=O)(=O)c1ccc(Br)cc1 ZINC000136171591 564846262 /nfs/dbraw/zinc/84/62/62/564846262.db2.gz QZCNSDDOQDSBTB-UHFFFAOYSA-N 0 1 389.340 3.248 20 0 GGADMN C[C@@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000070869475 564852076 /nfs/dbraw/zinc/85/20/76/564852076.db2.gz QSJKIHXHTATWRE-YPMHNXCESA-N 0 1 381.263 3.127 20 0 GGADMN O=C(NCc1nnc[nH]1)c1cccnc1Sc1ccc(Br)cc1 ZINC000070825214 564852152 /nfs/dbraw/zinc/85/21/52/564852152.db2.gz DASHWKDISSSIJL-UHFFFAOYSA-N 0 1 390.266 3.043 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccccc1I ZINC000071039715 564855281 /nfs/dbraw/zinc/85/52/81/564855281.db2.gz AZFBLYYQWGLROX-UHFFFAOYSA-N 0 1 390.184 3.124 20 0 GGADMN Cc1cscc1NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 ZINC000137703698 564863988 /nfs/dbraw/zinc/86/39/88/564863988.db2.gz ZTOILELMWQWUQN-UHFFFAOYSA-N 0 1 392.499 3.147 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)CCCCc3cn[nH]n3)s2)cs1 ZINC000138211853 564865154 /nfs/dbraw/zinc/86/51/54/564865154.db2.gz XUVLNLYJBSFGOQ-UHFFFAOYSA-N 0 1 375.523 3.370 20 0 GGADMN O=C(CCCCc1cn[nH]n1)NCC1(c2cccc(Br)c2)CC1 ZINC000139348266 564868863 /nfs/dbraw/zinc/86/88/63/564868863.db2.gz TXWXDGFCOSHYKI-UHFFFAOYSA-N 0 1 377.286 3.128 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000139235369 564869018 /nfs/dbraw/zinc/86/90/18/564869018.db2.gz XYAGZXLWEFJADC-ZDUSSCGKSA-N 0 1 381.929 3.483 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CCCCc1cn[nH]n1 ZINC000139551782 564869285 /nfs/dbraw/zinc/86/92/85/564869285.db2.gz NURKYPRBAFRORX-LLVKDONJSA-N 0 1 383.265 3.167 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(CC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000140008604 564870287 /nfs/dbraw/zinc/87/02/87/564870287.db2.gz GNQAXLNPPRNSDZ-JTQLQIEISA-N 0 1 377.794 3.254 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c(Br)c1 ZINC000089611856 564870550 /nfs/dbraw/zinc/87/05/50/564870550.db2.gz NLQNDTPWOWWTJT-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN COCCCNC(=O)C1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000140382599 564870867 /nfs/dbraw/zinc/87/08/67/564870867.db2.gz PXYXENVWPUGSQM-CQSZACIVSA-N 0 1 383.330 3.375 20 0 GGADMN CN(C)c1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000091856742 564872401 /nfs/dbraw/zinc/87/24/01/564872401.db2.gz WXDYUIUTLPUCBF-GFCCVEGCSA-N 0 1 379.917 3.108 20 0 GGADMN CN(C)c1ncc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC000091858328 564872569 /nfs/dbraw/zinc/87/25/69/564872569.db2.gz GTKZWCDUTRORFE-UHFFFAOYSA-N 0 1 379.917 3.108 20 0 GGADMN Cn1cnc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1Cl ZINC000092263080 564876214 /nfs/dbraw/zinc/87/62/14/564876214.db2.gz RFTJHQDOAWEMTP-SNVBAGLBSA-N 0 1 385.770 3.185 20 0 GGADMN Cn1cnc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1Cl ZINC000092263079 564876271 /nfs/dbraw/zinc/87/62/71/564876271.db2.gz RFTJHQDOAWEMTP-JTQLQIEISA-N 0 1 385.770 3.185 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2ccc(C)cc2Br)CC1 ZINC000092362042 564877105 /nfs/dbraw/zinc/87/71/05/564877105.db2.gz VNFBXSMFOBAPQI-UHFFFAOYSA-N 0 1 383.330 3.122 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2ccc(Br)cc2C)CC1 ZINC000092362116 564877419 /nfs/dbraw/zinc/87/74/19/564877419.db2.gz FXYMXFIRROXAGF-UHFFFAOYSA-N 0 1 383.330 3.122 20 0 GGADMN CN(CCC(F)(F)F)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000092479536 564878218 /nfs/dbraw/zinc/87/82/18/564878218.db2.gz PPEMJPRTHWSIMT-UHFFFAOYSA-N 0 1 380.838 3.435 20 0 GGADMN CCN(CC)c1ncc(CN2CCC(NC(=O)c3ccsc3)CC2)s1 ZINC000092484533 564878373 /nfs/dbraw/zinc/87/83/73/564878373.db2.gz LEHBLSKZCVEYNF-UHFFFAOYSA-N 0 1 378.567 3.445 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706194 564880689 /nfs/dbraw/zinc/88/06/89/564880689.db2.gz UFQVWROWHJLGFY-CQSZACIVSA-N 0 1 383.330 3.442 20 0 GGADMN Cc1cc(CN2CCC(c3ccnn3CCO)CC2)sc1Br ZINC000092811229 564881054 /nfs/dbraw/zinc/88/10/54/564881054.db2.gz ZXZAZUKQLVUPNF-UHFFFAOYSA-N 0 1 384.343 3.387 20 0 GGADMN O=C1N=NC(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)N1 ZINC000092870097 564882652 /nfs/dbraw/zinc/88/26/52/564882652.db2.gz ISNNPFBRTLJQCF-UHFFFAOYSA-N 0 1 390.372 3.296 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134084 564884013 /nfs/dbraw/zinc/88/40/13/564884013.db2.gz VINLUBREKRSHGV-CYBMUJFWSA-N 0 1 391.313 3.375 20 0 GGADMN COc1sc(CN2CCC[C@H](CN3CCOCC3)C2)cc1Br ZINC000093017261 564884101 /nfs/dbraw/zinc/88/41/01/564884101.db2.gz YVTBYTBONFYXSN-CYBMUJFWSA-N 0 1 389.359 3.063 20 0 GGADMN Cc1cc(CN(CCO)CCOCC(F)(F)F)sc1Br ZINC000093320005 564885424 /nfs/dbraw/zinc/88/54/24/564885424.db2.gz KERXBYMVKKMNTJ-UHFFFAOYSA-N 0 1 376.238 3.192 20 0 GGADMN Cc1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)c(Br)c1 ZINC000093454856 564886048 /nfs/dbraw/zinc/88/60/48/564886048.db2.gz NLNHPUFPLUJEOY-QGZVFWFLSA-N 0 1 378.314 3.437 20 0 GGADMN Cc1cc(Br)ccc1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000093386729 564886369 /nfs/dbraw/zinc/88/63/69/564886369.db2.gz DVNTXEUGPRSMHW-ZDUSSCGKSA-N 0 1 379.220 3.353 20 0 GGADMN COc1c(Br)cc(Br)cc1CN(C)CC[C@H](C)O ZINC000093481549 564887689 /nfs/dbraw/zinc/88/76/89/564887689.db2.gz SDRYAPYZLQZQOC-VIFPVBQESA-N 0 1 381.108 3.423 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(CCOc2ccccc2Br)CC1 ZINC000093545725 564887695 /nfs/dbraw/zinc/88/76/95/564887695.db2.gz YKUKDMMAIJIVTG-UHFFFAOYSA-N 0 1 383.330 3.407 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(OC)ccc1Br)CC2 ZINC000093613631 564888037 /nfs/dbraw/zinc/88/80/37/564888037.db2.gz MLDLOLJZGOGZTE-IAGOWNOFSA-N 0 1 384.314 3.210 20 0 GGADMN CN(C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)c1ccsc1 ZINC000150170095 564888454 /nfs/dbraw/zinc/88/84/54/564888454.db2.gz MPYHKGIDDVKVEU-LLVKDONJSA-N 0 1 383.315 3.144 20 0 GGADMN COc1cc(CN2CCS[C@H]3CCCC[C@@H]32)cc(Cl)c1OCC(N)=O ZINC000093690018 564888714 /nfs/dbraw/zinc/88/87/14/564888714.db2.gz ZMEJKVZGUVIOGT-HOCLYGCPSA-N 0 1 384.929 3.073 20 0 GGADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000150752006 564888824 /nfs/dbraw/zinc/88/88/24/564888824.db2.gz DNVRFMMDWMGYSL-UHFFFAOYSA-N 0 1 377.846 3.074 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)o1 ZINC000150740722 564889003 /nfs/dbraw/zinc/88/90/03/564889003.db2.gz PNRAUQIBCSMWKM-UHFFFAOYSA-N 0 1 394.630 3.283 20 0 GGADMN COCCOC[C@H]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000093755094 564889384 /nfs/dbraw/zinc/88/93/84/564889384.db2.gz HJCYEAVPRUILDP-AWEZNQCLSA-N 0 1 394.313 3.324 20 0 GGADMN COc1cc(CN2CCS[C@@H]3CCCC[C@@H]32)cc(Cl)c1OCC(N)=O ZINC000093690019 564889594 /nfs/dbraw/zinc/88/95/94/564889594.db2.gz ZMEJKVZGUVIOGT-GOEBONIOSA-N 0 1 384.929 3.073 20 0 GGADMN CC(C)C(=O)NC[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000093788816 564889641 /nfs/dbraw/zinc/88/96/41/564889641.db2.gz OVKZJXPGIFUTSO-HNNXBMFYSA-N 0 1 383.330 3.312 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000150842215 564893092 /nfs/dbraw/zinc/89/30/92/564893092.db2.gz CQYHDUHTFKCPOK-UHFFFAOYSA-N 0 1 377.897 3.231 20 0 GGADMN CCCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000093920053 564893550 /nfs/dbraw/zinc/89/35/50/564893550.db2.gz ZCHQGBTYDVXOJX-GFCCVEGCSA-N 0 1 381.881 3.238 20 0 GGADMN CCCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 ZINC000093920054 564893644 /nfs/dbraw/zinc/89/36/44/564893644.db2.gz ZCHQGBTYDVXOJX-LBPRGKRZSA-N 0 1 381.881 3.238 20 0 GGADMN CS(=O)(=O)Cc1nc(CSc2nc(C=Cc3ccccc3)n[nH]2)cs1 ZINC000150856685 564894072 /nfs/dbraw/zinc/89/40/72/564894072.db2.gz MZIUXQSEPSLNMJ-BQYQJAHWSA-N 0 1 392.531 3.269 20 0 GGADMN CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000093944640 564894393 /nfs/dbraw/zinc/89/43/93/564894393.db2.gz ZXNCMNYVUDPKKY-UHFFFAOYSA-N 0 1 375.437 3.144 20 0 GGADMN C[C@H]1CC(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@H](C)O1 ZINC000094068066 564895802 /nfs/dbraw/zinc/89/58/02/564895802.db2.gz WQYHNSNRRMNSHO-UWVGGRQHSA-N 0 1 379.258 3.376 20 0 GGADMN CCN(C(=O)c1cc(Cl)c2ccccc2c1O)[C@@H](C)CS(=O)(=O)CC ZINC000094137101 564897433 /nfs/dbraw/zinc/89/74/33/564897433.db2.gz YJDKMHFCIMTXHA-LBPRGKRZSA-N 0 1 383.897 3.484 20 0 GGADMN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000094151999 564898100 /nfs/dbraw/zinc/89/81/00/564898100.db2.gz FAMSKCAZOFSPEO-CJNGLKHVSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000094151999 564898103 /nfs/dbraw/zinc/89/81/03/564898103.db2.gz FAMSKCAZOFSPEO-CJNGLKHVSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000094152000 564898209 /nfs/dbraw/zinc/89/82/09/564898209.db2.gz FAMSKCAZOFSPEO-CZUORRHYSA-N 0 1 399.329 3.022 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000094152000 564898212 /nfs/dbraw/zinc/89/82/12/564898212.db2.gz FAMSKCAZOFSPEO-CZUORRHYSA-N 0 1 399.329 3.022 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)cc(Br)c3[O-])CC[C@@H]21 ZINC000150968826 564900231 /nfs/dbraw/zinc/90/02/31/564900231.db2.gz GTCPNWRQGQWAFN-YGRLFVJLSA-N 0 1 387.705 3.364 20 0 GGADMN CN1CCCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000096982823 564904288 /nfs/dbraw/zinc/90/42/88/564904288.db2.gz JWCWADHWVFDOSG-UHFFFAOYSA-N 0 1 379.913 3.082 20 0 GGADMN O=C(CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)NC[C@H]1CCCO1 ZINC000151088825 564904283 /nfs/dbraw/zinc/90/42/83/564904283.db2.gz VQRVVCDSBPSSOD-GFCCVEGCSA-N 0 1 387.292 3.166 20 0 GGADMN Cn1cc(Br)cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000097288356 564907564 /nfs/dbraw/zinc/90/75/64/564907564.db2.gz HGEAAURUDJLZHQ-INIZCTEOSA-N 0 1 376.298 3.182 20 0 GGADMN CC(C)n1cc(Br)cc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000097465317 564908691 /nfs/dbraw/zinc/90/86/91/564908691.db2.gz FJWZUUHRTCFNMR-UHFFFAOYSA-N 0 1 398.345 3.016 20 0 GGADMN CC[C@@H](COC)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000097592876 564909711 /nfs/dbraw/zinc/90/97/11/564909711.db2.gz KGDUIWRJKFAEIT-ZDUSSCGKSA-N 0 1 382.507 3.012 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000097684085 564910176 /nfs/dbraw/zinc/91/01/76/564910176.db2.gz ZBKZYAINNMGGMM-NSHDSACASA-N 0 1 394.718 3.373 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000097684085 564910178 /nfs/dbraw/zinc/91/01/78/564910178.db2.gz ZBKZYAINNMGGMM-NSHDSACASA-N 0 1 394.718 3.373 20 0 GGADMN C[C@@H](CO[C@H]1CCOC1)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000151216831 564910928 /nfs/dbraw/zinc/91/09/28/564910928.db2.gz CKCSQGAGOIVFLR-WFASDCNBSA-N 0 1 380.286 3.123 20 0 GGADMN Cc1ncc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)s1 ZINC000098133327 564912973 /nfs/dbraw/zinc/91/29/73/564912973.db2.gz MNVYYURLOQWTBS-UHFFFAOYSA-N 0 1 395.326 3.460 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000151301150 564914092 /nfs/dbraw/zinc/91/40/92/564914092.db2.gz RDWDKODWXTUGOD-CYBMUJFWSA-N 0 1 378.314 3.321 20 0 GGADMN COc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1Br ZINC000101533252 564916297 /nfs/dbraw/zinc/91/62/97/564916297.db2.gz IZWOUBDDZDTPPS-UHFFFAOYSA-N 0 1 378.201 3.403 20 0 GGADMN CC[C@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1)N(C)C ZINC000151399105 564918069 /nfs/dbraw/zinc/91/80/69/564918069.db2.gz NGKYOBQJNCTLBF-CYBMUJFWSA-N 0 1 380.539 3.095 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cc(Br)cn2C)N2CCCC2)o1 ZINC000101696000 564920246 /nfs/dbraw/zinc/92/02/46/564920246.db2.gz XBCAZUZNOIWSHG-OAHLLOKOSA-N 0 1 380.286 3.256 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccncc2Br)N2CCCC2)o1 ZINC000151498414 564923572 /nfs/dbraw/zinc/92/35/72/564923572.db2.gz 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C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000292034013 565093727 /nfs/dbraw/zinc/09/37/27/565093727.db2.gz XAZJYOIQSJORQD-FZMZJTMJSA-N 0 1 392.297 3.115 20 0 GGADMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000156544864 565093979 /nfs/dbraw/zinc/09/39/79/565093979.db2.gz MJEBEALZSIRYHV-UHFFFAOYSA-N 0 1 395.282 3.192 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cccc(Br)c2)c1 ZINC000266863289 565094201 /nfs/dbraw/zinc/09/42/01/565094201.db2.gz LMTSHXNJWXUIOE-LBPRGKRZSA-N 0 1 383.311 3.208 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cc(C)ccc2Br)n[nH]1 ZINC000292046230 565094816 /nfs/dbraw/zinc/09/48/16/565094816.db2.gz RGEMJHAIPXYWPY-CQSZACIVSA-N 0 1 393.285 3.389 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)[nH]1 ZINC000266888512 565095429 /nfs/dbraw/zinc/09/54/29/565095429.db2.gz VSEZVHQZLRIPRH-LBPRGKRZSA-N 0 1 382.873 3.055 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 ZINC000266888512 565095432 /nfs/dbraw/zinc/09/54/32/565095432.db2.gz 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ZINC000266994796 565099932 /nfs/dbraw/zinc/09/99/32/565099932.db2.gz KGEBKSPKVZGWEG-UHFFFAOYSA-N 0 1 383.564 3.374 20 0 GGADMN COCc1nc([C@@H]2CCCCN2C(=O)c2sccc2Br)n[nH]1 ZINC000292120563 565099962 /nfs/dbraw/zinc/09/99/62/565099962.db2.gz WVJPQNVQIJVXHV-JTQLQIEISA-N 0 1 385.287 3.143 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cn1 ZINC000266983414 565099960 /nfs/dbraw/zinc/09/99/60/565099960.db2.gz GLWJVEGUFVODOD-UHFFFAOYSA-N 0 1 399.523 3.300 20 0 GGADMN CC(C)CC(=O)Nc1cccc(CNC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000266983489 565100221 /nfs/dbraw/zinc/10/02/21/565100221.db2.gz GPMPIPPDSSLVEJ-UHFFFAOYSA-N 0 1 396.563 3.220 20 0 GGADMN COC(=O)c1ccc(OC(C)C)c(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000267010724 565100896 /nfs/dbraw/zinc/10/08/96/565100896.db2.gz MYWBCBIIMRGAPS-UHFFFAOYSA-N 0 1 399.519 3.131 20 0 GGADMN CN(C)[C@@H](CNC(=O)CSc1nncs1)c1cccc(C(F)(F)F)c1 ZINC000183897226 565101250 /nfs/dbraw/zinc/10/12/50/565101250.db2.gz RDRIOAMDOZUGFB-LBPRGKRZSA-N 0 1 390.456 3.068 20 0 GGADMN 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382.536 3.040 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)c(Br)c1 ZINC000267084582 565103711 /nfs/dbraw/zinc/10/37/11/565103711.db2.gz ZEFQIFOYBXHHHF-UHFFFAOYSA-N 0 1 382.302 3.086 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(Br)s1 ZINC000267049805 565103725 /nfs/dbraw/zinc/10/37/25/565103725.db2.gz FBUHYIKEJYPNFO-PWSUYJOCSA-N 0 1 383.315 3.090 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1cccc(N2CCCCC2=O)c1 ZINC000267070193 565104131 /nfs/dbraw/zinc/10/41/31/565104131.db2.gz YUBMEOPPAMGQPO-UHFFFAOYSA-N 0 1 380.520 3.075 20 0 GGADMN CC(C)(C)n1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000369676981 565106182 /nfs/dbraw/zinc/10/61/82/565106182.db2.gz ULMLENRCYGBOQI-AWEZNQCLSA-N 0 1 378.318 3.164 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000156812664 565106776 /nfs/dbraw/zinc/10/67/76/565106776.db2.gz HVOOYSXPGHNSCA-NSHDSACASA-N 0 1 392.714 3.386 20 0 GGADMN CC(C)(C)c1nc(C[S@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000292253631 565106796 /nfs/dbraw/zinc/10/67/96/565106796.db2.gz DTWJWSWUQIYNIM-VWLOTQADSA-N 0 1 379.873 3.255 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN1CCCC2(CCN(C)CC2)C1 ZINC000369723424 565108642 /nfs/dbraw/zinc/10/86/42/565108642.db2.gz WQEWJJMYNHPPPO-UHFFFAOYSA-N 0 1 384.973 3.441 20 0 GGADMN Cc1ccc(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1F ZINC000183985399 565108726 /nfs/dbraw/zinc/10/87/26/565108726.db2.gz NFZRNEGWXHSLJF-KRWDZBQOSA-N 0 1 382.526 3.452 20 0 GGADMN C[S@](=O)Cc1cc(NC(=O)CSc2n[nH]c(=S)s2)ccc1Cl ZINC000267208906 565109318 /nfs/dbraw/zinc/10/93/18/565109318.db2.gz YRBVUEPQHIXTDC-QFIPXVFZSA-N 0 1 393.968 3.090 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000267202636 565109541 /nfs/dbraw/zinc/10/95/41/565109541.db2.gz YCCLFZGPNCQMFY-UHFFFAOYSA-N 0 1 397.547 3.363 20 0 GGADMN Cc1n[nH]c(CCNC(=O)CCCSc2ccc(Br)cc2)n1 ZINC000267212584 565110332 /nfs/dbraw/zinc/11/03/32/565110332.db2.gz SGISTPTXCBLHLK-UHFFFAOYSA-N 0 1 383.315 3.107 20 0 GGADMN COc1ccc(Br)cc1C[S@](=O)Cc1n[nH]c(C(C)(C)C)n1 ZINC000292404029 565113644 /nfs/dbraw/zinc/11/36/44/565113644.db2.gz XRONEVIYNQQONF-QFIPXVFZSA-N 0 1 386.315 3.322 20 0 GGADMN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1csc(N(C)C)n1 ZINC000157011144 565114599 /nfs/dbraw/zinc/11/45/99/565114599.db2.gz XFSQJEFEWXKIDL-ZDUSSCGKSA-N 0 1 380.945 3.389 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1csc(N(C)C)n1 ZINC000157019116 565116292 /nfs/dbraw/zinc/11/62/92/565116292.db2.gz BIOOZORJCQCEEB-LLVKDONJSA-N 0 1 397.342 3.479 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000267385135 565116859 /nfs/dbraw/zinc/11/68/59/565116859.db2.gz BKYCUTBTSKWTSX-HNNXBMFYSA-N 0 1 391.313 3.010 20 0 GGADMN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1OCCc2sccc21 ZINC000292475755 565117484 /nfs/dbraw/zinc/11/74/84/565117484.db2.gz RRAVVXIDNNGJBM-QMTHXVAHSA-N 0 1 380.539 3.128 20 0 GGADMN C[C@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1OCCc2sccc21 ZINC000292475752 565117640 /nfs/dbraw/zinc/11/76/40/565117640.db2.gz RRAVVXIDNNGJBM-IINYFYTJSA-N 0 1 380.539 3.128 20 0 GGADMN NC(=O)[C@@H]1CCN(Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000157095161 565118239 /nfs/dbraw/zinc/11/82/39/565118239.db2.gz NVSGQMOJNQRFBC-MRXNPFEDSA-N 0 1 389.293 3.335 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000184205186 565118940 /nfs/dbraw/zinc/11/89/40/565118940.db2.gz RBSYLKUITFXQGI-KGLIPLIRSA-N 0 1 378.460 3.289 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)[nH]1 ZINC000369943477 565120123 /nfs/dbraw/zinc/12/01/23/565120123.db2.gz LCUUSHLTDWXEIQ-UHFFFAOYSA-N 0 1 375.885 3.315 20 0 GGADMN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000184208912 565120466 /nfs/dbraw/zinc/12/04/66/565120466.db2.gz AEYKGUWPYDBMHV-KGLIPLIRSA-N 0 1 378.460 3.289 20 0 GGADMN Cc1n[nH]c(CCNC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)n1 ZINC000267527929 565120744 /nfs/dbraw/zinc/12/07/44/565120744.db2.gz OUXKOVGVNXFVCF-JTQLQIEISA-N 0 1 375.885 3.154 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ncc(Cl)cc3C)cc2)CC1 ZINC000292527536 565120858 /nfs/dbraw/zinc/12/08/58/565120858.db2.gz LPQCJPYJLNTPCH-UHFFFAOYSA-N 0 1 380.853 3.049 20 0 GGADMN COc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c(Br)c1OC ZINC000370013403 565121750 /nfs/dbraw/zinc/12/17/50/565121750.db2.gz VYGIGMALMAOFLI-ZDUSSCGKSA-N 0 1 394.313 3.264 20 0 GGADMN CN1CC[C@H](CNC(=O)NOC/C=C/Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000292561410 565122234 /nfs/dbraw/zinc/12/22/34/565122234.db2.gz RCXYWNOQCUBIFW-XJBCNJEKSA-N 0 1 376.259 3.455 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000184251846 565122842 /nfs/dbraw/zinc/12/28/42/565122842.db2.gz GFMIDGYJKFTCQI-CYBMUJFWSA-N 0 1 394.301 3.389 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000370029111 565123345 /nfs/dbraw/zinc/12/33/45/565123345.db2.gz FGJRNQWPKDRZKL-UHFFFAOYSA-N 0 1 393.285 3.017 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccsc1 ZINC000184252507 565123903 /nfs/dbraw/zinc/12/39/03/565123903.db2.gz BHLVZCFXZDIVCZ-ZDUSSCGKSA-N 0 1 394.301 3.389 20 0 GGADMN C[C@H](C[S@@](C)=O)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000184255949 565123921 /nfs/dbraw/zinc/12/39/21/565123921.db2.gz RICXZYYBNHKFRM-JCQPUDPBSA-N 0 1 397.338 3.280 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccsc1 ZINC000184252300 565124130 /nfs/dbraw/zinc/12/41/30/565124130.db2.gz FEXRWCFRBRMXQK-GFCCVEGCSA-N 0 1 380.274 3.248 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccsc1 ZINC000184254651 565124192 /nfs/dbraw/zinc/12/41/92/565124192.db2.gz LBUPBHKXDXEBAR-GFCCVEGCSA-N 0 1 397.371 3.099 20 0 GGADMN CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000157258155 565125547 /nfs/dbraw/zinc/12/55/47/565125547.db2.gz ZCGPDBIENLKYQE-QGZVFWFLSA-N 0 1 377.257 3.261 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000184276507 565125613 /nfs/dbraw/zinc/12/56/13/565125613.db2.gz RUUJVKPYJTWEMT-OAHLLOKOSA-N 0 1 382.526 3.386 20 0 GGADMN O=C1CC2(CN1)CCN(Cc1ncc(-c3cccc(Br)c3)o1)CC2 ZINC000267636548 565125660 /nfs/dbraw/zinc/12/56/60/565125660.db2.gz HZPSSUMQPGZWSM-UHFFFAOYSA-N 0 1 390.281 3.206 20 0 GGADMN O=C1CC2(CN1)CCN(Cc1ncc(-c3ccc(Br)cc3)o1)CC2 ZINC000267713764 565128501 /nfs/dbraw/zinc/12/85/01/565128501.db2.gz XGIQZPPLFNIWNK-UHFFFAOYSA-N 0 1 390.281 3.206 20 0 GGADMN Cc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)c(F)cc1Br ZINC000292685914 565128952 /nfs/dbraw/zinc/12/89/52/565128952.db2.gz PXMROSQZIMYHOU-MRXNPFEDSA-N 0 1 385.277 3.479 20 0 GGADMN CCC1(C)CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000292689936 565128970 /nfs/dbraw/zinc/12/89/70/565128970.db2.gz DGDDEABNKUAMTC-UHFFFAOYSA-N 0 1 396.228 3.417 20 0 GGADMN CSc1c(F)cc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1F ZINC000184344897 565129260 /nfs/dbraw/zinc/12/92/60/565129260.db2.gz UFVNKWGNSXFBFC-UHFFFAOYSA-N 0 1 390.408 3.450 20 0 GGADMN O=C(CCc1nc[nH]n1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000157345819 565129395 /nfs/dbraw/zinc/12/93/95/565129395.db2.gz WUBDBKJVCFQYLJ-UHFFFAOYSA-N 0 1 383.279 3.252 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cccc(Br)c2C)CCN1C[C@@H](C)O ZINC000157368504 565129437 /nfs/dbraw/zinc/12/94/37/565129437.db2.gz CGQFSIYMVKWGSC-TZMCWYRMSA-N 0 1 384.318 3.066 20 0 GGADMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)COC(C)C ZINC000184377521 565131945 /nfs/dbraw/zinc/13/19/45/565131945.db2.gz RSZOZSWIECOWTC-CQSZACIVSA-N 0 1 377.312 3.430 20 0 GGADMN CSc1ccc([C@H](C)NCCS(=O)(=O)NCc2ccccc2)cc1F ZINC000157492943 565134021 /nfs/dbraw/zinc/13/40/21/565134021.db2.gz RMHVGNNMQOEHLN-AWEZNQCLSA-N 0 1 382.526 3.318 20 0 GGADMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(F)c1 ZINC000157541236 565135804 /nfs/dbraw/zinc/13/58/04/565135804.db2.gz OGLRRABHAZKXBC-UHFFFAOYSA-N 0 1 380.294 3.141 20 0 GGADMN CC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)c1 ZINC000184461643 565135720 /nfs/dbraw/zinc/13/57/20/565135720.db2.gz AKKLVSWLJBIZDU-UHFFFAOYSA-N 0 1 396.262 3.387 20 0 GGADMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)cc1 ZINC000184459886 565136416 /nfs/dbraw/zinc/13/64/16/565136416.db2.gz YEHDYIQCEHKVJL-UHFFFAOYSA-N 0 1 396.262 3.387 20 0 GGADMN O=S(=O)(Nc1ccc2n[nH]cc2c1)c1cc(Br)cc2c1OCC2 ZINC000184467404 565137500 /nfs/dbraw/zinc/13/75/00/565137500.db2.gz CZHHCLLREQKPJZ-UHFFFAOYSA-N 0 1 394.250 3.061 20 0 GGADMN O[C@H]1CCN(Cc2nnc(-c3ccccc3Br)o2)C12CCCC2 ZINC000292861246 565138425 /nfs/dbraw/zinc/13/84/25/565138425.db2.gz WLBLAPYKNODCGQ-AWEZNQCLSA-N 0 1 378.270 3.379 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000157653246 565139323 /nfs/dbraw/zinc/13/93/23/565139323.db2.gz CCIJTKPGKXHJHG-LBPRGKRZSA-N 0 1 377.286 3.152 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000268043939 565139450 /nfs/dbraw/zinc/13/94/50/565139450.db2.gz YVQZMZBRAPCSHP-UWVGGRQHSA-N 0 1 387.577 3.095 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292882854 565139462 /nfs/dbraw/zinc/13/94/62/565139462.db2.gz FAZKQIAMAAQXII-IRXDYDNUSA-N 0 1 379.302 3.321 20 0 GGADMN CC[C@@H](NCC(=O)Nc1nc(CC(=O)OC)cs1)c1ccc(Cl)cc1 ZINC000157630950 565140046 /nfs/dbraw/zinc/14/00/46/565140046.db2.gz JJMKEXZQBJSDIJ-CQSZACIVSA-N 0 1 381.885 3.191 20 0 GGADMN COC(=O)c1sccc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000157716400 565142633 /nfs/dbraw/zinc/14/26/33/565142633.db2.gz MVRWQZWHPDBBDX-LBPRGKRZSA-N 0 1 397.371 3.256 20 0 GGADMN Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nc1 ZINC000157729916 565142781 /nfs/dbraw/zinc/14/27/81/565142781.db2.gz FHUZPQDWJRXEJJ-AWEZNQCLSA-N 0 1 389.297 3.398 20 0 GGADMN Cc1cc(Cl)c(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1Cl ZINC000157718958 565142886 /nfs/dbraw/zinc/14/28/86/565142886.db2.gz QANJGWUWCBWSND-UHFFFAOYSA-N 0 1 379.247 3.436 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCOC2(CCOCC2)CC1 ZINC000370430052 565143143 /nfs/dbraw/zinc/14/31/43/565143143.db2.gz HAHCCOFUDNMEIN-UHFFFAOYSA-N 0 1 381.885 3.203 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000157758317 565143844 /nfs/dbraw/zinc/14/38/44/565143844.db2.gz MCGTXJGUOKQYPI-UHFFFAOYSA-N 0 1 379.825 3.112 20 0 GGADMN Cc1nn(C)c(CNC[C@@H](C)c2nc(-c3ccccc3)no2)c1Br ZINC000370498638 565145847 /nfs/dbraw/zinc/14/58/47/565145847.db2.gz HZGQXKHXRPWSNA-LLVKDONJSA-N 0 1 390.285 3.434 20 0 GGADMN Cc1cc(Br)ccc1CNC[C@](O)(c1nccn1C)C(F)(F)F ZINC000268297336 565147432 /nfs/dbraw/zinc/14/74/32/565147432.db2.gz XAEALQLAPHZKGD-AWEZNQCLSA-N 0 1 392.219 3.031 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(C)cc1Br ZINC000157950406 565150064 /nfs/dbraw/zinc/15/00/64/565150064.db2.gz HRULMZJFMVRFCB-SFHVURJKSA-N 0 1 396.373 3.068 20 0 GGADMN C[C@H](c1cnccn1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000184636777 565150284 /nfs/dbraw/zinc/15/02/84/565150284.db2.gz WAZWXLOTUPHLJN-GFCCVEGCSA-N 0 1 390.285 3.046 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(CC(=O)Nc3ccc(Br)cc3C)C2)n1 ZINC000268421323 565151279 /nfs/dbraw/zinc/15/12/79/565151279.db2.gz CRLIJFIDPHFTGE-ZDUSSCGKSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1nnc([C@H]2CCCN(CC(=O)Nc3ccc(Br)cc3C)C2)[nH]1 ZINC000268421323 565151284 /nfs/dbraw/zinc/15/12/84/565151284.db2.gz CRLIJFIDPHFTGE-ZDUSSCGKSA-N 0 1 392.301 3.002 20 0 GGADMN CC(C)[C@H](NCc1nnc(-c2ccc(Br)o2)o1)C1(CO)CCC1 ZINC000293090447 565151314 /nfs/dbraw/zinc/15/13/14/565151314.db2.gz PMHUJDKAIVYVLJ-AWEZNQCLSA-N 0 1 384.274 3.369 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN(CC(=O)Nc3ccc(C)cc3Br)C2)n1 ZINC000268449632 565152542 /nfs/dbraw/zinc/15/25/42/565152542.db2.gz INSGOYYGZUMMNE-ZDUSSCGKSA-N 0 1 392.301 3.002 20 0 GGADMN Cc1nnc([C@H]2CCCN(CC(=O)Nc3ccc(C)cc3Br)C2)[nH]1 ZINC000268449632 565152545 /nfs/dbraw/zinc/15/25/45/565152545.db2.gz INSGOYYGZUMMNE-ZDUSSCGKSA-N 0 1 392.301 3.002 20 0 GGADMN O=C(Nc1ccccc1I)N[C@H]1CCCc2cn[nH]c21 ZINC000370624732 565152949 /nfs/dbraw/zinc/15/29/49/565152949.db2.gz OTLROWRVSMQCQZ-LBPRGKRZSA-N 0 1 382.205 3.213 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000184698049 565152953 /nfs/dbraw/zinc/15/29/53/565152953.db2.gz GBGFOZFQIBUJIF-YUMQZZPRSA-N 0 1 392.212 3.389 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N(Cc1cccc(Br)c1)C1CC1 ZINC000184709056 565153706 /nfs/dbraw/zinc/15/37/06/565153706.db2.gz RNYCLKQBZVFEQB-UHFFFAOYSA-N 0 1 377.286 3.471 20 0 GGADMN CCN(Cc1cc(Br)ccc1F)C(=O)CCCCc1cn[nH]n1 ZINC000184726147 565154007 /nfs/dbraw/zinc/15/40/07/565154007.db2.gz FZEKMWWDSHYFFR-UHFFFAOYSA-N 0 1 383.265 3.468 20 0 GGADMN CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccnc(C)c2)c1 ZINC000158036566 565154430 /nfs/dbraw/zinc/15/44/30/565154430.db2.gz XNVFVGXBLIXLDL-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCSC[C@H]1c1nccs1)c1cccs1 ZINC000184744911 565155336 /nfs/dbraw/zinc/15/53/36/565155336.db2.gz NQTVVVCWSZNPOT-STQMWFEESA-N 0 1 382.580 3.307 20 0 GGADMN COCCCNC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000158109811 565155542 /nfs/dbraw/zinc/15/55/42/565155542.db2.gz MCJQYZQPEDNJOR-UHFFFAOYSA-N 0 1 389.323 3.127 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000370702143 565156790 /nfs/dbraw/zinc/15/67/90/565156790.db2.gz XAOKXWWWMLWJLG-LSDHHAIUSA-N 0 1 376.259 3.195 20 0 GGADMN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000370702135 565156813 /nfs/dbraw/zinc/15/68/13/565156813.db2.gz XAOKXWWWMLWJLG-HUUCEWRRSA-N 0 1 376.259 3.195 20 0 GGADMN CC(C)(CO)[C@@H](NCc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000293256643 565159521 /nfs/dbraw/zinc/15/95/21/565159521.db2.gz ZSZGBLAMGQZVEU-HNNXBMFYSA-N 0 1 380.286 3.386 20 0 GGADMN O=C(NCc1ccc(F)cc1Br)c1ccc(-c2nnc[nH]2)cc1 ZINC000184866922 565162890 /nfs/dbraw/zinc/16/28/90/565162890.db2.gz UQRRZTZIXDXDLQ-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN CN(CCNCc1cnc(-c2cccs2)s1)S(=O)(=O)c1cccs1 ZINC000158326271 565166027 /nfs/dbraw/zinc/16/60/27/565166027.db2.gz ZUVLGLKGNPKAFB-UHFFFAOYSA-N 0 1 399.588 3.343 20 0 GGADMN CN(CCNCc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccs1 ZINC000158346639 565166453 /nfs/dbraw/zinc/16/64/53/565166453.db2.gz JVFQUCMJFYTVSA-UHFFFAOYSA-N 0 1 394.440 3.057 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000268766428 565166652 /nfs/dbraw/zinc/16/66/52/565166652.db2.gz BXPJDBQQLBEBNB-LLVKDONJSA-N 0 1 376.265 3.081 20 0 GGADMN CCCNC(=O)CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000158316315 565166718 /nfs/dbraw/zinc/16/67/18/565166718.db2.gz NIVNMEXYBOVELR-KRWDZBQOSA-N 0 1 376.298 3.244 20 0 GGADMN Cc1noc(CNC2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000293426070 565168269 /nfs/dbraw/zinc/16/82/69/565168269.db2.gz ATQMOGUCMWTTPV-UHFFFAOYSA-N 0 1 384.249 3.161 20 0 GGADMN Cc1nc2c(s1)[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000268812824 565169617 /nfs/dbraw/zinc/16/96/17/565169617.db2.gz DQUGJQZERWRQKR-WBMJQRKESA-N 0 1 379.551 3.430 20 0 GGADMN CC[C@@H](N[C@H](C)Cn1cc(Br)cn1)c1nnc2n1CCCCC2 ZINC000268890611 565170205 /nfs/dbraw/zinc/17/02/05/565170205.db2.gz YMWZKWLYRWPLTO-TZMCWYRMSA-N 0 1 381.322 3.093 20 0 GGADMN C[C@@H](CC(=O)NC1(c2nnc[nH]2)CCC1)c1ccc(F)c(Br)c1 ZINC000293469613 565170333 /nfs/dbraw/zinc/17/03/33/565170333.db2.gz WXKPBQAVBYSKJP-JTQLQIEISA-N 0 1 381.249 3.396 20 0 GGADMN COc1cc(Br)c(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1OC ZINC000268863728 565170623 /nfs/dbraw/zinc/17/06/23/565170623.db2.gz GVWQWONLVOUSPD-NSHDSACASA-N 0 1 395.257 3.389 20 0 GGADMN CSCc1cnc(CNC[C@@H](c2ccc(C)cc2)N2CCOCC2)s1 ZINC000293518504 565172492 /nfs/dbraw/zinc/17/24/92/565172492.db2.gz IMJMMGWRGTTZAU-SFHVURJKSA-N 0 1 377.579 3.478 20 0 GGADMN COc1ccc(CCC(=O)N[C@H]2CCCc3cn[nH]c32)cc1Br ZINC000268952905 565172645 /nfs/dbraw/zinc/17/26/45/565172645.db2.gz IMTAHJSGDRBJAY-AWEZNQCLSA-N 0 1 378.270 3.307 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)c1cnc2c(cnn2C)c1O ZINC000185038656 565173192 /nfs/dbraw/zinc/17/31/92/565173192.db2.gz HZKXHNFSVRTTHT-UHFFFAOYSA-N 0 1 391.225 3.006 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)c1cnc2n(C)[nH]cc-2c1=O ZINC000185038656 565173196 /nfs/dbraw/zinc/17/31/96/565173196.db2.gz HZKXHNFSVRTTHT-UHFFFAOYSA-N 0 1 391.225 3.006 20 0 GGADMN Cc1c(Br)scc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000185054933 565173895 /nfs/dbraw/zinc/17/38/95/565173895.db2.gz ZNAQZMRVQHWNSY-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269040602 565176484 /nfs/dbraw/zinc/17/64/84/565176484.db2.gz YIZBELPZWXNNQJ-SMDDNHRTSA-N 0 1 376.869 3.060 20 0 GGADMN CC[C@H](C)OCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000158689306 565177240 /nfs/dbraw/zinc/17/72/40/565177240.db2.gz ORGVDUIUQMCNLC-NSHDSACASA-N 0 1 386.470 3.442 20 0 GGADMN O=C(NCc1ccc(Br)c(F)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185084531 565177120 /nfs/dbraw/zinc/17/71/20/565177120.db2.gz YEZJUWQOEVJHSO-UHFFFAOYSA-N 0 1 375.201 3.303 20 0 GGADMN CC[C@@H](C)OCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000158689171 565178025 /nfs/dbraw/zinc/17/80/25/565178025.db2.gz ORGVDUIUQMCNLC-LLVKDONJSA-N 0 1 386.470 3.442 20 0 GGADMN CC(C)(CO)[C@H](NCc1cnc2ccc(Br)cn12)c1cccnc1 ZINC000293643225 565178213 /nfs/dbraw/zinc/17/82/13/565178213.db2.gz MKUDGZCKAAUKNN-QGZVFWFLSA-N 0 1 389.297 3.341 20 0 GGADMN COc1ccc(Br)cc1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185101257 565178834 /nfs/dbraw/zinc/17/88/34/565178834.db2.gz KKAGICAHVSGBMX-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN O=C(NCC1CCC1)c1c[nH]c2ccc(I)cc2c1=O ZINC000269130203 565179030 /nfs/dbraw/zinc/17/90/30/565179030.db2.gz KWSRRWGBDLIYOL-UHFFFAOYSA-N 0 1 382.201 3.075 20 0 GGADMN CSCc1cnc(CN[C@@H](Cc2ccccc2)CN2CCOCC2)s1 ZINC000293720946 565181329 /nfs/dbraw/zinc/18/13/29/565181329.db2.gz YMJKZJJEAIWUTA-KRWDZBQOSA-N 0 1 377.579 3.039 20 0 GGADMN C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1nnc[nH]1 ZINC000158781906 565181507 /nfs/dbraw/zinc/18/15/07/565181507.db2.gz AXIAMKCQXSMCBZ-VIFPVBQESA-N 0 1 380.239 3.239 20 0 GGADMN Cc1c(Br)scc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000185211204 565186649 /nfs/dbraw/zinc/18/66/49/565186649.db2.gz PVJZIKFRNHYGDB-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=S1(=O)CCC(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000371330404 565187302 /nfs/dbraw/zinc/18/73/02/565187302.db2.gz UAKWXLWUYOWJOP-AWEZNQCLSA-N 0 1 378.321 3.271 20 0 GGADMN O=S1(=O)CCC(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000371330405 565187621 /nfs/dbraw/zinc/18/76/21/565187621.db2.gz UAKWXLWUYOWJOP-CQSZACIVSA-N 0 1 378.321 3.271 20 0 GGADMN CCc1cnc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)s1 ZINC000185270434 565191809 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Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(F)cc2Br)cn1 ZINC000371461307 565195616 /nfs/dbraw/zinc/19/56/16/565195616.db2.gz XBBVADFNSFDORQ-RDJZCZTQSA-N 0 1 382.277 3.410 20 0 GGADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000185359941 565197170 /nfs/dbraw/zinc/19/71/70/565197170.db2.gz ZDPRWXOYRGZPMO-BDJLRTHQSA-N 0 1 377.286 3.245 20 0 GGADMN O=C(C[C@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1)c1ccc(F)cc1 ZINC000269741679 565198868 /nfs/dbraw/zinc/19/88/68/565198868.db2.gz ZEJXRTQOMVPAKX-GFCCVEGCSA-N 0 1 397.522 3.322 20 0 GGADMN Clc1ccc(OCc2nnc(SCCN3C[C@H]4CC[C@@H](C3)O4)o2)cc1 ZINC000371619384 565201740 /nfs/dbraw/zinc/20/17/40/565201740.db2.gz RKXCSZUXEHKXSJ-GASCZTMLSA-N 0 1 381.885 3.257 20 0 GGADMN O=C(c1ccc(Cl)c(Br)c1)N1CCN(C2CCOCC2)CC1 ZINC000269926656 565203667 /nfs/dbraw/zinc/20/36/67/565203667.db2.gz HMTLESXVKLQENI-UHFFFAOYSA-N 0 1 387.705 3.039 20 0 GGADMN Cc1c(Br)scc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000185469915 565204029 /nfs/dbraw/zinc/20/40/29/565204029.db2.gz 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ZINC000270049619 565207212 /nfs/dbraw/zinc/20/72/12/565207212.db2.gz HGWHYCIMZXPOPA-WCQYABFASA-N 0 1 381.548 3.203 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc([S@@](C)=O)cc1 ZINC000270128960 565209044 /nfs/dbraw/zinc/20/90/44/565209044.db2.gz OEEHTGLHMYPYNC-DXRUEXFKSA-N 0 1 379.551 3.149 20 0 GGADMN C[S@@](=O)C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000159596404 565211562 /nfs/dbraw/zinc/21/15/62/565211562.db2.gz GNGOZOCZGVMLGE-WNSKOXEYSA-N 0 1 396.306 3.387 20 0 GGADMN O=C(c1c(O)cccc1F)N(CCO)Cc1cc(Br)ccc1F ZINC000185624324 565212147 /nfs/dbraw/zinc/21/21/47/565212147.db2.gz NEHFWKWEAWVMAT-UHFFFAOYSA-N 0 1 386.192 3.068 20 0 GGADMN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000185654424 565213871 /nfs/dbraw/zinc/21/38/71/565213871.db2.gz AFBSRTHSKQWRMV-HSZRJFAPSA-N 0 1 377.409 3.385 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CSC(F)F)c(C(F)(F)F)c2)CC1 ZINC000294507226 565215809 /nfs/dbraw/zinc/21/58/09/565215809.db2.gz FXKLARYJJAORDY-UHFFFAOYSA-N 0 1 383.386 3.352 20 0 GGADMN COC[C@H]1CCN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000270356512 565216105 /nfs/dbraw/zinc/21/61/05/565216105.db2.gz XCJMDHUQOFVPSG-LBPRGKRZSA-N 0 1 398.244 3.415 20 0 GGADMN Cc1ccnc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000185705880 565217114 /nfs/dbraw/zinc/21/71/14/565217114.db2.gz NEOURNWJYVFOAV-UHFFFAOYSA-N 0 1 396.188 3.367 20 0 GGADMN Cc1ccnc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)n1 ZINC000185706569 565217210 /nfs/dbraw/zinc/21/72/10/565217210.db2.gz LQEIYAOEMKPQHU-UHFFFAOYSA-N 0 1 396.188 3.367 20 0 GGADMN Cc1nc(NS(=O)(=O)c2cccc(Br)c2)nc2c1CCCC2 ZINC000185719757 565217889 /nfs/dbraw/zinc/21/78/89/565217889.db2.gz UAUJDJYOXRHBMF-UHFFFAOYSA-N 0 1 382.283 3.227 20 0 GGADMN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)nc2c1CCCC2 ZINC000185724990 565218497 /nfs/dbraw/zinc/21/84/97/565218497.db2.gz XEIULPAPSYDGGZ-UHFFFAOYSA-N 0 1 382.283 3.227 20 0 GGADMN Cc1nnc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3Cl)c2)n1C ZINC000372076355 565220960 /nfs/dbraw/zinc/22/09/60/565220960.db2.gz ZCWGFCFFLQMPRK-UHFFFAOYSA-N 0 1 380.832 3.384 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCc1ccsc1 ZINC000294653932 565222570 /nfs/dbraw/zinc/22/25/70/565222570.db2.gz CERURPGOFABRHT-NSHDSACASA-N 0 1 383.311 3.314 20 0 GGADMN CC(C)c1nc(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)n[nH]1 ZINC000294702874 565223187 /nfs/dbraw/zinc/22/31/87/565223187.db2.gz DBPBXLYCRIREAH-UHFFFAOYSA-N 0 1 375.274 3.371 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)CCOc2ccccc2Br)n[nH]1 ZINC000270607185 565223400 /nfs/dbraw/zinc/22/34/00/565223400.db2.gz DUEBCJIUBOVGIC-LLVKDONJSA-N 0 1 381.274 3.337 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 ZINC000270588884 565223783 /nfs/dbraw/zinc/22/37/83/565223783.db2.gz SFEOLVVTUCBVHT-MRVPVSSYSA-N 0 1 380.367 3.126 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000270584990 565223953 /nfs/dbraw/zinc/22/39/53/565223953.db2.gz ASKIKRRYDSYUNH-WDEREUQCSA-N 0 1 381.274 3.083 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(I)cc2C)n[nH]1 ZINC000270615572 565223999 /nfs/dbraw/zinc/22/39/99/565223999.db2.gz FJBOYBIDLUQINY-SECBINFHSA-N 0 1 399.236 3.163 20 0 GGADMN CCOc1cc(CNCc2n[nH]c(C(C)C)n2)cc(Br)c1OC ZINC000294718205 565224343 /nfs/dbraw/zinc/22/43/43/565224343.db2.gz FFWJLBYGBPAISM-UHFFFAOYSA-N 0 1 383.290 3.388 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)cc2Br)n[nH]1 ZINC000270664056 565224809 /nfs/dbraw/zinc/22/48/09/565224809.db2.gz KPXSALQXSUDCPA-MRVPVSSYSA-N 0 1 398.261 3.030 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CCNCc1cc(F)ncc1F ZINC000294722158 565224892 /nfs/dbraw/zinc/22/48/92/565224892.db2.gz BYDXPBOKUFWIHJ-UHFFFAOYSA-N 0 1 398.251 3.261 20 0 GGADMN COCC1=CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000185855122 565225339 /nfs/dbraw/zinc/22/53/39/565225339.db2.gz VKEUAVCNVDNIDO-AWEZNQCLSA-N 0 1 381.314 3.075 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(Br)c(F)c2)n[nH]1 ZINC000270679522 565225947 /nfs/dbraw/zinc/22/59/47/565225947.db2.gz MJOCFBZSCVTEMA-SECBINFHSA-N 0 1 384.253 3.390 20 0 GGADMN COc1ccc(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Br ZINC000270754132 565227148 /nfs/dbraw/zinc/22/71/48/565227148.db2.gz OZAPPCSGLDYHLD-JTQLQIEISA-N 0 1 396.289 3.260 20 0 GGADMN Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CCCN(C)CC1 ZINC000372225433 565227266 /nfs/dbraw/zinc/22/72/66/565227266.db2.gz IYWPONPAPDRMHK-UHFFFAOYSA-N 0 1 378.270 3.190 20 0 GGADMN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NCc1ccc(Br)c(F)c1 ZINC000185909574 565228234 /nfs/dbraw/zinc/22/82/34/565228234.db2.gz OXQUDVAHYGBDSP-OAHLLOKOSA-N 0 1 385.664 3.428 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCCOc2ccccc2Br)n[nH]1 ZINC000270790305 565228785 /nfs/dbraw/zinc/22/87/85/565228785.db2.gz UXFARMMDCACAJC-LLVKDONJSA-N 0 1 381.274 3.166 20 0 GGADMN COc1ccc(CN[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1Br ZINC000185914957 565229117 /nfs/dbraw/zinc/22/91/17/565229117.db2.gz KOFYFTDBJJRODG-OAHLLOKOSA-N 0 1 397.700 3.297 20 0 GGADMN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000372295025 565229464 /nfs/dbraw/zinc/22/94/64/565229464.db2.gz MTNGZNIUXXOABY-UHFFFAOYSA-N 0 1 394.806 3.045 20 0 GGADMN Cc1cc(Br)oc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000270853246 565230185 /nfs/dbraw/zinc/23/01/85/565230185.db2.gz KENPQJPFWOYBDQ-LLVKDONJSA-N 0 1 379.258 3.366 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)COc2ccc(Br)cc2F)n[nH]1 ZINC000270811365 565230230 /nfs/dbraw/zinc/23/02/30/565230230.db2.gz YCKLKJGAFIFLRU-VIFPVBQESA-N 0 1 385.237 3.086 20 0 GGADMN C[C@@](O)(CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1Cl ZINC000372339904 565233002 /nfs/dbraw/zinc/23/30/02/565233002.db2.gz XGQHVPZSMLLDNT-FUHWJXTLSA-N 0 1 383.872 3.195 20 0 GGADMN NC(=O)c1cnccc1NCc1cc(Br)ccc1Br ZINC000185978006 565233930 /nfs/dbraw/zinc/23/39/30/565233930.db2.gz CQCRATRFFZJZIZ-UHFFFAOYSA-N 0 1 385.059 3.318 20 0 GGADMN Nc1c(Cl)cc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1Cl ZINC000372355073 565234115 /nfs/dbraw/zinc/23/41/15/565234115.db2.gz GNLCKQWDFFYINE-UHFFFAOYSA-N 0 1 386.323 3.150 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N2CCCC23CCN(C)CC3)c1 ZINC000372398848 565234640 /nfs/dbraw/zinc/23/46/40/565234640.db2.gz WHTVTSQQQWOYHM-UHFFFAOYSA-N 0 1 387.343 3.006 20 0 GGADMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000185996177 565234625 /nfs/dbraw/zinc/23/46/25/565234625.db2.gz FTBOEPNIEGIWBI-UHFFFAOYSA-N 0 1 397.338 3.317 20 0 GGADMN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cncc(Cl)c1 ZINC000271042848 565236201 /nfs/dbraw/zinc/23/62/01/565236201.db2.gz JQNLZCJHWCYFSB-HNNXBMFYSA-N 0 1 378.841 3.264 20 0 GGADMN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000271045262 565236456 /nfs/dbraw/zinc/23/64/56/565236456.db2.gz LOOWLQHXQXIMCC-UHFFFAOYSA-N 0 1 379.869 3.080 20 0 GGADMN CC(C)C(=O)NC1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000271085945 565237339 /nfs/dbraw/zinc/23/73/39/565237339.db2.gz UBEYFWFZONVTCM-UHFFFAOYSA-N 0 1 393.325 3.462 20 0 GGADMN O=C1CCCCN1Cc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000271058330 565237721 /nfs/dbraw/zinc/23/77/21/565237721.db2.gz VCYURLVEMJILFZ-UHFFFAOYSA-N 0 1 379.869 3.048 20 0 GGADMN Nc1ncccc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000294969439 565238212 /nfs/dbraw/zinc/23/82/12/565238212.db2.gz OFODWGAVTQFWME-UHFFFAOYSA-N 0 1 389.297 3.277 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271196666 565242346 /nfs/dbraw/zinc/24/23/46/565242346.db2.gz YLMZISXQVVCDRN-OAHLLOKOSA-N 0 1 383.279 3.298 20 0 GGADMN COc1ccsc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000186131119 565242550 /nfs/dbraw/zinc/24/25/50/565242550.db2.gz SXHGKZUOQQGTFI-CQSZACIVSA-N 0 1 380.535 3.392 20 0 GGADMN COc1cc(CN[C@@H](CO)c2ccc(Br)cc2)cc2c1OCO2 ZINC000271199350 565242988 /nfs/dbraw/zinc/24/29/88/565242988.db2.gz FAIGFEJCBASPRH-AWEZNQCLSA-N 0 1 380.238 3.010 20 0 GGADMN O=S1(=O)CC[C@@H](NCCc2nc(C(F)(F)F)cs2)c2cc(F)ccc21 ZINC000372534207 565242976 /nfs/dbraw/zinc/24/29/76/565242976.db2.gz XYHZOEPJIVICPL-LLVKDONJSA-N 0 1 394.415 3.352 20 0 GGADMN Cc1n[nH]c(CCNC(=O)C2(c3cccc(Br)c3)CCCC2)n1 ZINC000271204503 565243113 /nfs/dbraw/zinc/24/31/13/565243113.db2.gz ABJCCFOTAOBBHV-UHFFFAOYSA-N 0 1 377.286 3.046 20 0 GGADMN O=S1(=O)CC[C@H](NCCc2nc(C(F)(F)F)cs2)c2cc(F)ccc21 ZINC000372534208 565243507 /nfs/dbraw/zinc/24/35/07/565243507.db2.gz XYHZOEPJIVICPL-NSHDSACASA-N 0 1 394.415 3.352 20 0 GGADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)CC1 ZINC000372562685 565245083 /nfs/dbraw/zinc/24/50/83/565245083.db2.gz UWBDXIKZIXRKTB-UHFFFAOYSA-N 0 1 377.897 3.432 20 0 GGADMN COCCOc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000271286251 565246119 /nfs/dbraw/zinc/24/61/19/565246119.db2.gz LNCJEVPVOFVKFM-SFHVURJKSA-N 0 1 380.282 3.298 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186208535 565247050 /nfs/dbraw/zinc/24/70/50/565247050.db2.gz CBCPXVRVQUBUFU-UHFFFAOYSA-N 0 1 376.247 3.227 20 0 GGADMN CC1CC(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000271295956 565247313 /nfs/dbraw/zinc/24/73/13/565247313.db2.gz BBIUEEGMMULRDF-UHFFFAOYSA-N 0 1 382.201 3.073 20 0 GGADMN C[C@H]1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000271318598 565247415 /nfs/dbraw/zinc/24/74/15/565247415.db2.gz NWNUXSDLBKMCOU-VIFPVBQESA-N 0 1 382.201 3.027 20 0 GGADMN O=C(c1ccc2[nH]nnc2c1)N1CCc2c(Br)ccc(F)c2C1 ZINC000186212554 565247676 /nfs/dbraw/zinc/24/76/76/565247676.db2.gz BGNWYWYQCGUKCT-UHFFFAOYSA-N 0 1 375.201 3.058 20 0 GGADMN COc1ccc(C[C@H]2CCCN(C(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000372704639 565250083 /nfs/dbraw/zinc/25/00/83/565250083.db2.gz SFVKHDDOYAQXPP-CYBMUJFWSA-N 0 1 395.575 3.409 20 0 GGADMN CC[C@@H](CCc1ccc(Br)cc1)N[C@@H](C(N)=O)c1ccccn1 ZINC000295197726 565250872 /nfs/dbraw/zinc/25/08/72/565250872.db2.gz YDNISPWJZKBRHK-DOTOQJQBSA-N 0 1 376.298 3.372 20 0 GGADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000186287845 565252092 /nfs/dbraw/zinc/25/20/92/565252092.db2.gz GPJCSLJQZWBUHH-UHFFFAOYSA-N 0 1 382.835 3.264 20 0 GGADMN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cncc(Cl)c3C)cc21 ZINC000295227101 565252814 /nfs/dbraw/zinc/25/28/14/565252814.db2.gz SENGRRDKUDGYQL-UHFFFAOYSA-N 0 1 379.869 3.143 20 0 GGADMN CC(C)c1nc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000295223599 565253107 /nfs/dbraw/zinc/25/31/07/565253107.db2.gz HRQFSSNDZFFNIL-UHFFFAOYSA-N 0 1 382.795 3.079 20 0 GGADMN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1Br ZINC000372781898 565253826 /nfs/dbraw/zinc/25/38/26/565253826.db2.gz FKYQLOAQSBGZTI-NEPJUHHUSA-N 0 1 388.693 3.087 20 0 GGADMN CCc1ccc([C@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)cc1 ZINC000372798130 565254018 /nfs/dbraw/zinc/25/40/18/565254018.db2.gz OSTLJXJFMJUGGS-CYBMUJFWSA-N 0 1 381.548 3.081 20 0 GGADMN C[C@H](NCc1n[nH]c(COc2ccccc2)n1)c1ncc(Br)s1 ZINC000186420591 565260551 /nfs/dbraw/zinc/26/05/51/565260551.db2.gz FPODEJWQZALBFH-JTQLQIEISA-N 0 1 394.298 3.454 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ncc(Br)cc1C)c1ccccc1 ZINC000295349293 565261353 /nfs/dbraw/zinc/26/13/53/565261353.db2.gz QNYLKUPYFUWYIC-CQSZACIVSA-N 0 1 385.283 3.282 20 0 GGADMN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000271646569 565262371 /nfs/dbraw/zinc/26/23/71/565262371.db2.gz FMIPDLRLILPXIV-HZMBPMFUSA-N 0 1 382.295 3.155 20 0 GGADMN Cc1cc(Br)ccc1CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271635612 565262548 /nfs/dbraw/zinc/26/25/48/565262548.db2.gz DFAPTGXQOOEDDA-LBPRGKRZSA-N 0 1 383.311 3.256 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000271647839 565262849 /nfs/dbraw/zinc/26/28/49/565262849.db2.gz FMIPDLRLILPXIV-YGRLFVJLSA-N 0 1 382.295 3.155 20 0 GGADMN Cc1csc([C@H](C)CNS(=O)(=O)c2nc(C)c(Br)s2)n1 ZINC000186480350 565263296 /nfs/dbraw/zinc/26/32/96/565263296.db2.gz MPPCLWIUKPKJLG-ZCFIWIBFSA-N 0 1 396.357 3.061 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN[C@H](CCO)c1ccccc1 ZINC000271679881 565263481 /nfs/dbraw/zinc/26/34/81/565263481.db2.gz OUMYNYIAAGTTNM-QGZVFWFLSA-N 0 1 377.282 3.409 20 0 GGADMN CS(=O)(=O)Cc1ccc(CNCc2cccc(Br)c2F)cc1 ZINC000295408082 565263520 /nfs/dbraw/zinc/26/35/20/565263520.db2.gz MWCLUNDTLRMBCY-UHFFFAOYSA-N 0 1 386.286 3.423 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295407625 565263675 /nfs/dbraw/zinc/26/36/75/565263675.db2.gz KTXHMKARXQYHDI-UHFFFAOYSA-N 0 1 387.665 3.283 20 0 GGADMN CC(C)c1nc(CNC(=O)c2cc(Cl)c(F)cc2Br)n[nH]1 ZINC000295413187 565264711 /nfs/dbraw/zinc/26/47/11/565264711.db2.gz LGUVVZAUKDVGCJ-UHFFFAOYSA-N 0 1 375.629 3.413 20 0 GGADMN Cc1c2cc(Br)ccc2oc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295453382 565267372 /nfs/dbraw/zinc/26/73/72/565267372.db2.gz OURATCMRDMRAPA-UHFFFAOYSA-N 0 1 375.226 3.429 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H](CCO)c1ccco1 ZINC000186546280 565267811 /nfs/dbraw/zinc/26/78/11/565267811.db2.gz FFNJRAUFJJFOEX-IUODEOHRSA-N 0 1 381.270 3.473 20 0 GGADMN C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H](CCO)c1ccco1 ZINC000186546225 565267852 /nfs/dbraw/zinc/26/78/52/565267852.db2.gz FFNJRAUFJJFOEX-WFASDCNBSA-N 0 1 381.270 3.473 20 0 GGADMN CSc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)c(Cl)cc1Cl ZINC000295472440 565268412 /nfs/dbraw/zinc/26/84/12/565268412.db2.gz NJKLMASVQPGXKD-LLVKDONJSA-N 0 1 377.337 3.292 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc([S@@](C)=O)cc1 ZINC000271803518 565268486 /nfs/dbraw/zinc/26/84/86/565268486.db2.gz LRAJMIJCWACZQC-PJGQNWHFSA-N 0 1 376.547 3.110 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000271803512 565269062 /nfs/dbraw/zinc/26/90/62/565269062.db2.gz LRAJMIJCWACZQC-DZWULXIXSA-N 0 1 376.547 3.110 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccncc1Br ZINC000271803304 565269086 /nfs/dbraw/zinc/26/90/86/565269086.db2.gz WYTYNLSKJQMFIV-UHFFFAOYSA-N 0 1 390.281 3.053 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000271849088 565270259 /nfs/dbraw/zinc/27/02/59/565270259.db2.gz VSNQXLVUDHMIMS-PJGQNWHFSA-N 0 1 378.925 3.433 20 0 GGADMN O=C([C@H](Cc1ccccc1)NCc1cncc(Br)c1)N1CCCC1 ZINC000186612312 565272093 /nfs/dbraw/zinc/27/20/93/565272093.db2.gz WXGLIZKTFXMDGT-SFHVURJKSA-N 0 1 388.309 3.167 20 0 GGADMN CN(C)C(=O)c1ccnc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000186618672 565272536 /nfs/dbraw/zinc/27/25/36/565272536.db2.gz PEMNVVANYVJUOY-UHFFFAOYSA-N 0 1 388.276 3.032 20 0 GGADMN C[C@@H](Cn1cc(Br)cn1)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186625803 565273222 /nfs/dbraw/zinc/27/32/22/565273222.db2.gz OCSJVKVEUIZCME-YVEFUNNKSA-N 0 1 392.276 3.286 20 0 GGADMN Cc1nc(C(C)C)sc1[C@H](C)NC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000272025198 565274342 /nfs/dbraw/zinc/27/43/42/565274342.db2.gz DLJVXJRBKFGKAJ-ZUZCIYMTSA-N 0 1 376.448 3.409 20 0 GGADMN CC(C)(C[C@@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1)C(N)=O ZINC000295580025 565274643 /nfs/dbraw/zinc/27/46/43/565274643.db2.gz LXDSWMZXCOPZGK-XJKSGUPXSA-N 0 1 383.330 3.096 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000272063635 565275522 /nfs/dbraw/zinc/27/55/22/565275522.db2.gz CWFJZAPHSVLVDA-JQWIXIFHSA-N 0 1 387.939 3.219 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000272063631 565275534 /nfs/dbraw/zinc/27/55/34/565275534.db2.gz CWFJZAPHSVLVDA-CMPLNLGQSA-N 0 1 387.939 3.219 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000272063651 565275666 /nfs/dbraw/zinc/27/56/66/565275666.db2.gz CWFJZAPHSVLVDA-ZYHUDNBSSA-N 0 1 387.939 3.219 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000186669090 565275858 /nfs/dbraw/zinc/27/58/58/565275858.db2.gz QHCXFLMASZZVQF-SBDDDAINSA-N 0 1 385.291 3.404 20 0 GGADMN Cn1ccnc1[C@@](O)(CN[C@@H]1CCSc2ccc(F)cc21)C(F)(F)F ZINC000272053866 565275957 /nfs/dbraw/zinc/27/59/57/565275957.db2.gz HUYRNUYXQGHKAD-DOMZBBRYSA-N 0 1 375.391 3.136 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000186662994 565275910 /nfs/dbraw/zinc/27/59/10/565275910.db2.gz PNUWEUCYTWIBHE-AWEZNQCLSA-N 0 1 384.929 3.220 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 ZINC000186656712 565275960 /nfs/dbraw/zinc/27/59/60/565275960.db2.gz KBVFWWHKYHLROW-SZTZYQKNSA-N 0 1 385.291 3.404 20 0 GGADMN O=S(=O)([N-]C1CC[NH+](C2CCCC2)CC1)c1c(Cl)ccnc1Cl ZINC000272078499 565276012 /nfs/dbraw/zinc/27/60/12/565276012.db2.gz AHDQTPXTBBGTQZ-UHFFFAOYSA-N 0 1 378.325 3.074 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@H]1CCSc2ccc(F)cc21)C(F)(F)F ZINC000272053870 565276176 /nfs/dbraw/zinc/27/61/76/565276176.db2.gz HUYRNUYXQGHKAD-SWLSCSKDSA-N 0 1 375.391 3.136 20 0 GGADMN CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(Br)c3)CC2)CC1 ZINC000373254095 565276363 /nfs/dbraw/zinc/27/63/63/565276363.db2.gz DEXZVWYLEZBEHT-UHFFFAOYSA-N 0 1 386.403 3.360 20 0 GGADMN C[C@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)c1nccs1 ZINC000186679388 565277004 /nfs/dbraw/zinc/27/70/04/565277004.db2.gz SBAHEKVFGNBQOX-SSDOTTSWSA-N 0 1 397.266 3.266 20 0 GGADMN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F)s1 ZINC000272095239 565277061 /nfs/dbraw/zinc/27/70/61/565277061.db2.gz FKNQWZOFLHESAL-LLVKDONJSA-N 0 1 386.461 3.030 20 0 GGADMN CSc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000272109278 565277362 /nfs/dbraw/zinc/27/73/62/565277362.db2.gz QGFKUSACWWFBDB-HNNXBMFYSA-N 0 1 377.535 3.136 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000186687457 565277975 /nfs/dbraw/zinc/27/79/75/565277975.db2.gz YOCNPVBJSAUQGZ-UHFFFAOYSA-N 0 1 375.296 3.243 20 0 GGADMN C[C@H]1C[C@@H](NC[C@@](O)(c2nccn2C)C(F)(F)F)c2ccsc2S1 ZINC000272130134 565278375 /nfs/dbraw/zinc/27/83/75/565278375.db2.gz RQANSOHDPWSMPM-DRCTWCGVSA-N 0 1 377.457 3.447 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000186687512 565278749 /nfs/dbraw/zinc/27/87/49/565278749.db2.gz OXQWITBYTYXLRH-UHFFFAOYSA-N 0 1 375.296 3.243 20 0 GGADMN CSc1ccc([C@H](C)NC[C@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000272148275 565279553 /nfs/dbraw/zinc/27/95/53/565279553.db2.gz UMPWRGHVFJEQOP-BONVTDFDSA-N 0 1 377.407 3.382 20 0 GGADMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(Cl)nc1 ZINC000186714822 565279782 /nfs/dbraw/zinc/27/97/82/565279782.db2.gz CAYZQTHEKLOAID-LBPRGKRZSA-N 0 1 383.876 3.265 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272151829 565279829 /nfs/dbraw/zinc/27/98/29/565279829.db2.gz CQXOEXWZBVDFRE-UHFFFAOYSA-N 0 1 380.341 3.129 20 0 GGADMN CC(=O)Nc1ccc(CCNCc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000272164786 565279890 /nfs/dbraw/zinc/27/98/90/565279890.db2.gz ZWRHKDNIQBNUHK-UHFFFAOYSA-N 0 1 380.897 3.034 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCc2cnc(Br)s2)cc1 ZINC000295697535 565281381 /nfs/dbraw/zinc/28/13/81/565281381.db2.gz IXKBBPRFNCIIBU-JTQLQIEISA-N 0 1 385.283 3.308 20 0 GGADMN Cc1cnc([C@H](C)CNS(=O)(=O)c2nc(C)c(Br)s2)s1 ZINC000186733426 565282109 /nfs/dbraw/zinc/28/21/09/565282109.db2.gz NMICQNYYHRJFKK-ZCFIWIBFSA-N 0 1 396.357 3.061 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)NCc2n[nH]c(C(C)C)n2)c(Br)c1 ZINC000295731765 565283640 /nfs/dbraw/zinc/28/36/40/565283640.db2.gz MOFUSRIICSZZSX-NSHDSACASA-N 0 1 381.274 3.083 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CCCC(=O)c1ccc(Br)cc1 ZINC000295739733 565284703 /nfs/dbraw/zinc/28/47/03/565284703.db2.gz MRIQFNNOQXQWBJ-OAHLLOKOSA-N 0 1 397.357 3.189 20 0 GGADMN CC(C)(C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757384 565285203 /nfs/dbraw/zinc/28/52/03/565285203.db2.gz XSDZTZOQKMDDFT-BBRMVZONSA-N 0 1 383.330 3.096 20 0 GGADMN CC(C)(C[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)C1)C(N)=O ZINC000295757384 565285211 /nfs/dbraw/zinc/28/52/11/565285211.db2.gz XSDZTZOQKMDDFT-BBRMVZONSA-N 0 1 383.330 3.096 20 0 GGADMN CC(C)(COc1ncccc1Br)NCc1nnc2n1CCCCC2 ZINC000272365520 565285633 /nfs/dbraw/zinc/28/56/33/565285633.db2.gz OEYADSMTYOUPGX-UHFFFAOYSA-N 0 1 394.317 3.109 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCc3c(F)ccc(Br)c3C2)[nH]1 ZINC000295765824 565286007 /nfs/dbraw/zinc/28/60/07/565286007.db2.gz OSDBKXBNKNGNLO-UHFFFAOYSA-N 0 1 399.289 3.082 20 0 GGADMN Cc1cc(C)c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1Br ZINC000186798743 565286424 /nfs/dbraw/zinc/28/64/24/565286424.db2.gz MOLNKVDZWACVPD-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CCCn2cc(C)nc21 ZINC000373459713 565286894 /nfs/dbraw/zinc/28/68/94/565286894.db2.gz GJTJBHUDUXWNBQ-OAHLLOKOSA-N 0 1 381.929 3.306 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cccc(Cl)c2SCC(F)F)n1 ZINC000272437130 565287414 /nfs/dbraw/zinc/28/74/14/565287414.db2.gz OBWZITYGSWJANQ-UHFFFAOYSA-N 0 1 375.832 3.488 20 0 GGADMN CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)CCSc2ccccc2)CC1 ZINC000295779543 565287425 /nfs/dbraw/zinc/28/74/25/565287425.db2.gz ZAIIQDRZRRWCCJ-PUAOIOHZSA-N 0 1 383.579 3.334 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2c[nH]nc2-c2ccccc2F)s1 ZINC000373489866 565288613 /nfs/dbraw/zinc/28/86/13/565288613.db2.gz NBEBODTZBMQIJR-UHFFFAOYSA-N 0 1 379.482 3.361 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCSC2(CCOCC2)C1 ZINC000186830984 565289259 /nfs/dbraw/zinc/28/92/59/565289259.db2.gz WULOZCVKFSKXHZ-HNNXBMFYSA-N 0 1 382.957 3.457 20 0 GGADMN Cc1c([C@H](C)NCCCCCS(C)(=O)=O)nnn1-c1ccc(Cl)cc1 ZINC000186851976 565290124 /nfs/dbraw/zinc/29/01/24/565290124.db2.gz QVWJEOLXZXXNFH-ZDUSSCGKSA-N 0 1 384.933 3.095 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272522653 565290457 /nfs/dbraw/zinc/29/04/57/565290457.db2.gz PZUHCVAMZUGAKA-JKIFEVAISA-N 0 1 393.325 3.211 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000373530232 565290388 /nfs/dbraw/zinc/29/03/88/565290388.db2.gz ADKKHMWWHKCYRN-SFHVURJKSA-N 0 1 377.227 3.435 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)CCCc2ccccc2Br)C[C@@H](C)O1 ZINC000161710898 565291330 /nfs/dbraw/zinc/29/13/30/565291330.db2.gz AAEQVWHYEPSSGM-HZPDHXFCSA-N 0 1 397.357 3.387 20 0 GGADMN Cc1c([C@@H](C)NCCCCCS(C)(=O)=O)nnn1-c1cccc(Cl)c1 ZINC000186864518 565291391 /nfs/dbraw/zinc/29/13/91/565291391.db2.gz ZQMVPNWQMLZEMQ-CYBMUJFWSA-N 0 1 384.933 3.095 20 0 GGADMN COCCOC[C@H](O)CN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000295873714 565291937 /nfs/dbraw/zinc/29/19/37/565291937.db2.gz ZFYBEIKSCUOMSM-MLGOLLRUSA-N 0 1 384.929 3.446 20 0 GGADMN COCCOC[C@@H](O)CN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000295873717 565292046 /nfs/dbraw/zinc/29/20/46/565292046.db2.gz ZFYBEIKSCUOMSM-WBMJQRKESA-N 0 1 384.929 3.446 20 0 GGADMN O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000186877984 565292386 /nfs/dbraw/zinc/29/23/86/565292386.db2.gz AETWWOLHPWKZCQ-ZDUSSCGKSA-N 0 1 382.835 3.218 20 0 GGADMN CCC[C@@H](NS(=O)(=O)c1scnc1C(=O)OC)c1ccc(F)cc1F ZINC000161835735 565294536 /nfs/dbraw/zinc/29/45/36/565294536.db2.gz JIHHLHXFEAMIOK-GFCCVEGCSA-N 0 1 390.433 3.028 20 0 GGADMN COc1ccc(C)cc1CCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000161847953 565294804 /nfs/dbraw/zinc/29/48/04/565294804.db2.gz BJNLDPHNRVWSDV-KRWDZBQOSA-N 0 1 377.282 3.125 20 0 GGADMN CSc1ccccc1S(=O)(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000186919184 565295352 /nfs/dbraw/zinc/29/53/52/565295352.db2.gz ZXYZRMLNEDBHQW-UHFFFAOYSA-N 0 1 380.535 3.287 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000272707851 565295704 /nfs/dbraw/zinc/29/57/04/565295704.db2.gz HBWIENMGEQIYSH-UHFFFAOYSA-N 0 1 379.335 3.045 20 0 GGADMN NC(=O)[C@H](NCCCN1CCc2ccccc21)c1cccc(Br)c1 ZINC000161886685 565296794 /nfs/dbraw/zinc/29/67/94/565296794.db2.gz ZXPFSBPTUSQCAP-GOSISDBHSA-N 0 1 388.309 3.018 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2cnc(CC)nc2)cc1Br ZINC000161918081 565297913 /nfs/dbraw/zinc/29/79/13/565297913.db2.gz KJDKAHJDCRIFKZ-UHFFFAOYSA-N 0 1 386.271 3.001 20 0 GGADMN CCSc1cccc(F)c1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000296037043 565298576 /nfs/dbraw/zinc/29/85/76/565298576.db2.gz SJQFGBHPIPVIKW-UHFFFAOYSA-N 0 1 383.392 3.491 20 0 GGADMN Cc1c(Br)cccc1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272819351 565298661 /nfs/dbraw/zinc/29/86/61/565298661.db2.gz IOQDRICRIVFYTG-GFCCVEGCSA-N 0 1 383.311 3.256 20 0 GGADMN Cc1csc([C@H](NC(=O)CSc2n[nH]c(=S)s2)C(F)(F)F)n1 ZINC000296020609 565298697 /nfs/dbraw/zinc/29/86/97/565298697.db2.gz UTSMDJMAJXTXPT-LURJTMIESA-N 0 1 386.471 3.104 20 0 GGADMN CC1(C)[C@H](NCc2nnc(-c3ccccc3Br)o2)[C@@H]2CCO[C@@H]21 ZINC000296056464 565299513 /nfs/dbraw/zinc/29/95/13/565299513.db2.gz FZJDKJTWLNCTQS-GLQYFDAESA-N 0 1 378.270 3.402 20 0 GGADMN CCn1cc([C@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)cn1 ZINC000296051442 565299753 /nfs/dbraw/zinc/29/97/53/565299753.db2.gz NQZDWSNYPNVFGA-QWHCGFSZSA-N 0 1 379.302 3.194 20 0 GGADMN CCc1ncsc1NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000161972296 565299887 /nfs/dbraw/zinc/29/98/87/565299887.db2.gz KTUXNVMDMFXWDB-UHFFFAOYSA-N 0 1 377.285 3.277 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000161985583 565300072 /nfs/dbraw/zinc/30/00/72/565300072.db2.gz LGFNBMBLYOSMFS-AWEZNQCLSA-N 0 1 380.491 3.140 20 0 GGADMN NC(=O)[C@@H](NC1CCN(c2ccccc2)CC1)c1cccc(Br)c1 ZINC000161983200 565300524 /nfs/dbraw/zinc/30/05/24/565300524.db2.gz LQCHLIGOWBSHDE-SFHVURJKSA-N 0 1 388.309 3.234 20 0 GGADMN Cc1nnc(SCC(=O)N(Cc2csc(Br)c2)C2CC2)[nH]1 ZINC000161985387 565300614 /nfs/dbraw/zinc/30/06/14/565300614.db2.gz IJZHXSBMHBRTBZ-UHFFFAOYSA-N 0 1 387.328 3.220 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(Cc2csc(Br)c2)C2CC2)n1 ZINC000161985387 565300618 /nfs/dbraw/zinc/30/06/18/565300618.db2.gz IJZHXSBMHBRTBZ-UHFFFAOYSA-N 0 1 387.328 3.220 20 0 GGADMN CC1(C)[C@H](NCc2nc(-c3cccc(Br)c3)no2)[C@H]2CCO[C@@H]21 ZINC000296063785 565301358 /nfs/dbraw/zinc/30/13/58/565301358.db2.gz GGHPZGGRFGIQCD-YUELXQCFSA-N 0 1 378.270 3.402 20 0 GGADMN Cc1nscc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000272914528 565302395 /nfs/dbraw/zinc/30/23/95/565302395.db2.gz MUOFQBXNHITWOG-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=C(Nc1cc(CSCCO)ccn1)c1ccc(Br)c(O)c1 ZINC000162082915 565303669 /nfs/dbraw/zinc/30/36/69/565303669.db2.gz XQRQTJAQGDPXKV-UHFFFAOYSA-N 0 1 383.267 3.028 20 0 GGADMN CCc1nc(CNCc2c(C)nn(-c3ccc(Br)cc3)c2C)n[nH]1 ZINC000296138295 565304265 /nfs/dbraw/zinc/30/42/65/565304265.db2.gz UYJIKBKHZPTGAT-UHFFFAOYSA-N 0 1 389.301 3.222 20 0 GGADMN CCOc1ccccc1CCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162066297 565304447 /nfs/dbraw/zinc/30/44/47/565304447.db2.gz QRLQLHGHWJKYSK-KRWDZBQOSA-N 0 1 377.282 3.207 20 0 GGADMN COc1ccc([C@@H](NC(=O)CSc2n[nH]c(=S)s2)C(F)(F)F)cc1 ZINC000273042728 565305692 /nfs/dbraw/zinc/30/56/92/565305692.db2.gz VPKCJYIWBQQVCN-SNVBAGLBSA-N 0 1 395.453 3.347 20 0 GGADMN NC(=O)[C@H](NCC1(c2cccc(F)c2)CC1)c1cccc(Br)c1 ZINC000162147120 565306330 /nfs/dbraw/zinc/30/63/30/565306330.db2.gz ZYLODPDTEVFBNE-MRXNPFEDSA-N 0 1 377.257 3.436 20 0 GGADMN O=C1O[C@@H](CN[C@H](CO)c2ccc(Br)cc2)CN1c1ccccc1 ZINC000273083540 565306412 /nfs/dbraw/zinc/30/64/12/565306412.db2.gz HXRCIDQZGBTYOB-DLBZAZTESA-N 0 1 391.265 3.098 20 0 GGADMN Cc1cccc(O[C@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162169481 565307263 /nfs/dbraw/zinc/30/72/63/565307263.db2.gz YXLUHQFXNJMFSB-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN Cc1cccc(O[C@@H](C)CN[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162169356 565307385 /nfs/dbraw/zinc/30/73/85/565307385.db2.gz YXLUHQFXNJMFSB-GUYCJALGSA-N 0 1 377.282 3.341 20 0 GGADMN C[C@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)Oc1ccccc1F ZINC000162174291 565307422 /nfs/dbraw/zinc/30/74/22/565307422.db2.gz SFNDISQHWRDOCE-BDJLRTHQSA-N 0 1 381.245 3.172 20 0 GGADMN COc1cccc(O[C@H](C)CN[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162172317 565307582 /nfs/dbraw/zinc/30/75/82/565307582.db2.gz RRMOBQRCSMVQBA-SJKOYZFVSA-N 0 1 393.281 3.041 20 0 GGADMN Cc1coc2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)cc12 ZINC000187077611 565307844 /nfs/dbraw/zinc/30/78/44/565307844.db2.gz UWRFSHQVSVDENZ-UHFFFAOYSA-N 0 1 383.422 3.085 20 0 GGADMN CCO[C@@H]1C[C@@H](N[C@H](C(N)=O)c2cccc(Br)c2)C12CCCC2 ZINC000162195864 565308278 /nfs/dbraw/zinc/30/82/78/565308278.db2.gz QIXGWCNLGDTKFW-OAGGEKHMSA-N 0 1 381.314 3.303 20 0 GGADMN CN1CCN(c2ccc(CNCc3cccc(F)c3Br)cn2)CC1 ZINC000296241543 565308821 /nfs/dbraw/zinc/30/88/21/565308821.db2.gz CPCPZNFDVMAPDD-UHFFFAOYSA-N 0 1 393.304 3.025 20 0 GGADMN CC[C@H](C)N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000296267083 565309718 /nfs/dbraw/zinc/30/97/18/565309718.db2.gz YCLMVIZXMFVUON-ZDUSSCGKSA-N 0 1 379.302 3.415 20 0 GGADMN O=S(=O)(CCN[C@H]1CCCc2nc(Cl)ccc21)CCc1ccccc1 ZINC000296292487 565311057 /nfs/dbraw/zinc/31/10/57/565311057.db2.gz DELXAJVQJBVFDA-KRWDZBQOSA-N 0 1 378.925 3.360 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000296320884 565312257 /nfs/dbraw/zinc/31/22/57/565312257.db2.gz GBOIJUKPGVBDMN-UHFFFAOYSA-N 0 1 395.276 3.320 20 0 GGADMN O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nc(-c2ccco2)n[nH]1 ZINC000162314211 565312655 /nfs/dbraw/zinc/31/26/55/565312655.db2.gz QDDDICBECZVEDI-UHFFFAOYSA-N 0 1 386.209 3.490 20 0 GGADMN O=C(Nc1cc(Cl)ccc1O)C1CCN(CCOCC(F)(F)F)CC1 ZINC000373946268 565312913 /nfs/dbraw/zinc/31/29/13/565312913.db2.gz AIJLOWXZDCSMLW-UHFFFAOYSA-N 0 1 380.794 3.275 20 0 GGADMN COc1c(CN[C@@H](C)c2ccc(I)cc2)c(C)nn1C ZINC000162338165 565313936 /nfs/dbraw/zinc/31/39/36/565313936.db2.gz WHRGBBPKYFZEIP-JTQLQIEISA-N 0 1 385.249 3.193 20 0 GGADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296350329 565313276 /nfs/dbraw/zinc/31/32/76/565313276.db2.gz DUOSDIPEXFQBIV-CYBMUJFWSA-N 0 1 379.251 3.056 20 0 GGADMN COc1c(Br)cccc1CNCCNC(=O)c1ccccc1F ZINC000187156090 565313826 /nfs/dbraw/zinc/31/38/26/565313826.db2.gz XDPSUTOYOKQWLG-UHFFFAOYSA-N 0 1 381.245 3.116 20 0 GGADMN COc1c(Br)cccc1CNC[C@@H](O)COc1cccc(C)c1 ZINC000187161829 565313990 /nfs/dbraw/zinc/31/39/90/565313990.db2.gz RFDGBBHWAKOWNU-OAHLLOKOSA-N 0 1 380.282 3.296 20 0 GGADMN COc1c(CN[C@H](C)c2ccc(I)cc2)c(C)nn1C ZINC000162338277 565314032 /nfs/dbraw/zinc/31/40/32/565314032.db2.gz WHRGBBPKYFZEIP-SNVBAGLBSA-N 0 1 385.249 3.193 20 0 GGADMN Cc1noc(CCCNCc2ncc(Br)cc2Br)n1 ZINC000273264229 565314440 /nfs/dbraw/zinc/31/44/40/565314440.db2.gz YKQOZKHJCPMEJA-UHFFFAOYSA-N 0 1 390.079 3.020 20 0 GGADMN Cc1cc([C@H](NC[C@]2(O)CCS(=O)(=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000296363635 565314555 /nfs/dbraw/zinc/31/45/55/565314555.db2.gz IVFCAHXRAHKVON-QZTJIDSGSA-N 0 1 399.965 3.247 20 0 GGADMN Brc1cnn(C2CCN(Cc3cccc4c3OCCO4)CC2)c1 ZINC000374009382 565314590 /nfs/dbraw/zinc/31/45/90/565314590.db2.gz BKTTYMQTHZYRHO-UHFFFAOYSA-N 0 1 378.270 3.254 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC1CCN(CC(F)(F)F)CC1 ZINC000187182077 565314851 /nfs/dbraw/zinc/31/48/51/565314851.db2.gz HQPJHBPAJLSIRO-UHFFFAOYSA-N 0 1 398.878 3.250 20 0 GGADMN CC1(C)CC[C@@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)O1 ZINC000187207896 565315829 /nfs/dbraw/zinc/31/58/29/565315829.db2.gz IAZCBJLCYKVWHB-ZFWWWQNUSA-N 0 1 396.329 3.452 20 0 GGADMN Cc1nnc(SCCC(=O)NCCc2cn(C)c3cc(Cl)ccc23)[nH]1 ZINC000187189804 565315980 /nfs/dbraw/zinc/31/59/80/565315980.db2.gz SRIITXVMCXVBSD-UHFFFAOYSA-N 0 1 377.901 3.099 20 0 GGADMN CNS(=O)(=O)CCN[C@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000187195538 565316097 /nfs/dbraw/zinc/31/60/97/565316097.db2.gz PMDZXNFJBHUZEC-GOSISDBHSA-N 0 1 382.526 3.188 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(Br)s1 ZINC000162463010 565317278 /nfs/dbraw/zinc/31/72/78/565317278.db2.gz TWOIEJFFODCZNS-NSHDSACASA-N 0 1 389.340 3.140 20 0 GGADMN CCC1(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000296463064 565318054 /nfs/dbraw/zinc/31/80/54/565318054.db2.gz ZXGWDACYAXDNCQ-UHFFFAOYSA-N 0 1 382.201 3.217 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3)cn2)cc1Cl ZINC000374069392 565318565 /nfs/dbraw/zinc/31/85/65/565318565.db2.gz OVIUNTCTVXPQOC-UHFFFAOYSA-N 0 1 376.825 3.001 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)NCc1cc(=O)n2ccsc2n1 ZINC000162478978 565318905 /nfs/dbraw/zinc/31/89/05/565318905.db2.gz ACECQYWKTVVEOW-QGZVFWFLSA-N 0 1 378.885 3.142 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCCOCC1CCOCC1 ZINC000187258852 565319386 /nfs/dbraw/zinc/31/93/86/565319386.db2.gz BJRKATDJCNIYHS-UHFFFAOYSA-N 0 1 389.945 3.057 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1Br ZINC000374100400 565319955 /nfs/dbraw/zinc/31/99/55/565319955.db2.gz SUIOBMJTJRBBDM-ZMJPVWNMSA-N 0 1 384.318 3.136 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1CCN(CC2CCCC2)C1 ZINC000187271559 565320505 /nfs/dbraw/zinc/32/05/05/565320505.db2.gz JIHIRSFWVJBNAW-QGZVFWFLSA-N 0 1 384.973 3.488 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccsc2Cl)CN1Cc1ccccc1 ZINC000187285735 565320825 /nfs/dbraw/zinc/32/08/25/565320825.db2.gz ZLLQNBODIHYFJF-OCCSQVGLSA-N 0 1 377.897 3.119 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ncc(Br)cc1F ZINC000187294363 565321676 /nfs/dbraw/zinc/32/16/76/565321676.db2.gz DIAHUUMZZBDLNA-PWSUYJOCSA-N 0 1 383.240 3.447 20 0 GGADMN C[C@H](O)C[C@H](CNCc1c(Cl)cccc1S(C)(=O)=O)c1ccccc1 ZINC000273466794 565322363 /nfs/dbraw/zinc/32/23/63/565322363.db2.gz NVCLUGFAEVRMJL-GOEBONIOSA-N 0 1 381.925 3.388 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNCCc1nc2c(s1)CCCC2 ZINC000273468310 565322432 /nfs/dbraw/zinc/32/24/32/565322432.db2.gz PJKGLPWHNLJFII-UHFFFAOYSA-N 0 1 384.954 3.411 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000162635675 565323476 /nfs/dbraw/zinc/32/34/76/565323476.db2.gz QIECNIUIALAEOQ-HZPDHXFCSA-N 0 1 395.341 3.123 20 0 GGADMN CN(CC(=O)NCC(C)(C)c1ccccc1Br)[C@@H]1CCSC1 ZINC000162634410 565323560 /nfs/dbraw/zinc/32/35/60/565323560.db2.gz DRPPBPYOWJVRAW-CYBMUJFWSA-N 0 1 385.371 3.280 20 0 GGADMN CN(CC(=O)NCC(C)(C)c1ccccc1Br)[C@H]1CCSC1 ZINC000162634551 565323665 /nfs/dbraw/zinc/32/36/65/565323665.db2.gz DRPPBPYOWJVRAW-ZDUSSCGKSA-N 0 1 385.371 3.280 20 0 GGADMN COCc1c(Br)cccc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000296580956 565324026 /nfs/dbraw/zinc/32/40/26/565324026.db2.gz WEPNEDAKLDDUPK-UHFFFAOYSA-N 0 1 382.262 3.159 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000296571748 565324298 /nfs/dbraw/zinc/32/42/98/565324298.db2.gz WBTFINJUCFROIY-VFZGTOFNSA-N 0 1 398.282 3.247 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@]1(O)CCc2ccccc21 ZINC000187335380 565324633 /nfs/dbraw/zinc/32/46/33/565324633.db2.gz DIMNLMUJAMHWKZ-IBGZPJMESA-N 0 1 379.909 3.057 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000162677123 565324775 /nfs/dbraw/zinc/32/47/75/565324775.db2.gz USCCYGAQAOFJOE-BBRMVZONSA-N 0 1 379.298 3.244 20 0 GGADMN O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000162677123 565324777 /nfs/dbraw/zinc/32/47/77/565324777.db2.gz USCCYGAQAOFJOE-BBRMVZONSA-N 0 1 379.298 3.244 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@](C)(O)c1ccc(F)cc1 ZINC000187341616 565325518 /nfs/dbraw/zinc/32/55/18/565325518.db2.gz MLLOJUZWYBZOOI-GOSISDBHSA-N 0 1 385.888 3.270 20 0 GGADMN COc1ccc(Br)c(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000374259037 565327563 /nfs/dbraw/zinc/32/75/63/565327563.db2.gz XRXSAHLWFAXLQY-QAPCUYQASA-N 0 1 394.313 3.279 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1Cc2cccc(Br)c2C1 ZINC000187390982 565328479 /nfs/dbraw/zinc/32/84/79/565328479.db2.gz KRBVFVCXFATDPQ-UHFFFAOYSA-N 0 1 388.337 3.224 20 0 GGADMN Cc1cc2c(cc1C)[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000187393174 565328835 /nfs/dbraw/zinc/32/88/35/565328835.db2.gz RENLGPPUVPSERF-HOCLYGCPSA-N 0 1 397.587 3.326 20 0 GGADMN Cc1cc(C2CCN(C(=O)[C@H]3COc4ccc(Br)cc43)CC2)n[nH]1 ZINC000273674872 565329505 /nfs/dbraw/zinc/32/95/05/565329505.db2.gz YDQHJNZNROHJAU-HNNXBMFYSA-N 0 1 390.281 3.363 20 0 GGADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000162874139 565329682 /nfs/dbraw/zinc/32/96/82/565329682.db2.gz JFFIPOPMCRWHCB-UHFFFAOYSA-N 0 1 375.296 3.129 20 0 GGADMN Cc1c(NS(=O)(=O)c2ccc(Cl)nc2Cl)cnn1C1CCOCC1 ZINC000296695743 565330053 /nfs/dbraw/zinc/33/00/53/565330053.db2.gz KIPJPZUKOVBTDP-UHFFFAOYSA-N 0 1 391.280 3.046 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CCCC34CCN(C)CC4)s2)cs1 ZINC000374297715 565330141 /nfs/dbraw/zinc/33/01/41/565330141.db2.gz SYYQKHQNWYNKDC-UHFFFAOYSA-N 0 1 397.591 3.429 20 0 GGADMN NCc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)co1 ZINC000187418969 565331561 /nfs/dbraw/zinc/33/15/61/565331561.db2.gz REHIAVMXTLDGMX-OAHLLOKOSA-N 0 1 382.247 3.288 20 0 GGADMN O=C(CN1CC[C@H](C2CCOCC2)C1)Nc1ccc(Br)cc1F ZINC000374342334 565332087 /nfs/dbraw/zinc/33/20/87/565332087.db2.gz SVHHYXXCECAXOQ-ZDUSSCGKSA-N 0 1 385.277 3.275 20 0 GGADMN C[C@H]1CSCCN1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187454327 565333288 /nfs/dbraw/zinc/33/32/88/565333288.db2.gz MAYGTDJZHUGTGD-SWLSCSKDSA-N 0 1 375.460 3.455 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000187451323 565333987 /nfs/dbraw/zinc/33/39/87/565333987.db2.gz ZQLOYJXWORNBCZ-GJZGRUSLSA-N 0 1 375.460 3.455 20 0 GGADMN Brc1ccc(CN2CCC3(CCO3)CC2)c(N2CCOCC2)c1 ZINC000374378315 565335703 /nfs/dbraw/zinc/33/57/03/565335703.db2.gz QYFMKLREQKOHPW-UHFFFAOYSA-N 0 1 381.314 3.041 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)C1(C)C ZINC000187484917 565335906 /nfs/dbraw/zinc/33/59/06/565335906.db2.gz LGPINQUYBCCLPV-SJKOYZFVSA-N 0 1 380.901 3.330 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000163141782 565337319 /nfs/dbraw/zinc/33/73/19/565337319.db2.gz KEYVTGOFYQBUGH-STQMWFEESA-N 0 1 380.897 3.421 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163156885 565337383 /nfs/dbraw/zinc/33/73/83/565337383.db2.gz NDSUPUDTPINPCN-ZDUSSCGKSA-N 0 1 380.897 3.341 20 0 GGADMN CC1(CO)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000273806052 565337795 /nfs/dbraw/zinc/33/77/95/565337795.db2.gz CAJDITHZGAWPFT-UHFFFAOYSA-N 0 1 378.270 3.074 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(Br)c(C)cc2C)CCN1C[C@@H](C)O ZINC000187528850 565338587 /nfs/dbraw/zinc/33/85/87/565338587.db2.gz KKNFXEQFAAMAGC-CABCVRRESA-N 0 1 398.345 3.375 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(Sc3nncs3)cc2)C1(C)C ZINC000187553459 565340563 /nfs/dbraw/zinc/34/05/63/565340563.db2.gz RYJRDUORDXPJFE-SUMWQHHRSA-N 0 1 378.523 3.160 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(Sc3nncs3)cc2)C1(C)C ZINC000187553419 565340660 /nfs/dbraw/zinc/34/06/60/565340660.db2.gz RYJRDUORDXPJFE-GUYCJALGSA-N 0 1 378.523 3.160 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000296869244 565342269 /nfs/dbraw/zinc/34/22/69/565342269.db2.gz LNNLSLMBDSNILT-POHZPAGDSA-N 0 1 383.275 3.285 20 0 GGADMN COc1c(Br)cccc1CNc1ccc(N2CCN(C)CC2)cn1 ZINC000187600628 565344367 /nfs/dbraw/zinc/34/43/67/565344367.db2.gz WTXBNICBTSOFIP-UHFFFAOYSA-N 0 1 391.313 3.217 20 0 GGADMN COc1cccc(C(=O)NCCN[C@@H](C)c2cc(Br)ncc2F)c1 ZINC000273910153 565344510 /nfs/dbraw/zinc/34/45/10/565344510.db2.gz XKJAONSMDCNWLY-NSHDSACASA-N 0 1 396.260 3.072 20 0 GGADMN Fc1cc(Br)c(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1F ZINC000273903522 565344607 /nfs/dbraw/zinc/34/46/07/565344607.db2.gz HALOAHHTQYXBSK-OQPBUACISA-N 0 1 386.196 3.313 20 0 GGADMN C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1cc(Br)ncc1F ZINC000273905245 565344817 /nfs/dbraw/zinc/34/48/17/565344817.db2.gz WMNGHYWCADCAAU-PWSUYJOCSA-N 0 1 387.224 3.213 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(Br)c(C3CC3)n2)n[nH]1 ZINC000296908706 565345520 /nfs/dbraw/zinc/34/55/20/565345520.db2.gz WMTCKJNMYCKCIN-QMMMGPOBSA-N 0 1 379.262 3.285 20 0 GGADMN CCS(=O)(=O)CCN[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000163522008 565347615 /nfs/dbraw/zinc/34/76/15/565347615.db2.gz DYIDKCPLOPBGFB-HNNXBMFYSA-N 0 1 380.535 3.220 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000297003113 565349744 /nfs/dbraw/zinc/34/97/44/565349744.db2.gz PGHUWEARKKYEQI-GYOIFBIXSA-N 0 1 383.275 3.285 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000187706868 565350093 /nfs/dbraw/zinc/35/00/93/565350093.db2.gz WAUUUSVCTJDBOW-OAHLLOKOSA-N 0 1 377.231 3.478 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@H](O)CSC)CC2 ZINC000187741035 565352179 /nfs/dbraw/zinc/35/21/79/565352179.db2.gz PHAZASJPYYIOLC-LIRRHRJNSA-N 0 1 379.547 3.437 20 0 GGADMN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000163883071 565352429 /nfs/dbraw/zinc/35/24/29/565352429.db2.gz RDXDHJRLINPMOI-MRXNPFEDSA-N 0 1 397.382 3.376 20 0 GGADMN Cc1nc(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c(C)s1 ZINC000163932671 565353444 /nfs/dbraw/zinc/35/34/44/565353444.db2.gz CPJDAICMUAWPQR-UHFFFAOYSA-N 0 1 378.929 3.346 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nnc(C(F)F)s3)n2)cc1 ZINC000163983053 565353459 /nfs/dbraw/zinc/35/34/59/565353459.db2.gz OWKXJNSZGVNMJA-UHFFFAOYSA-N 0 1 382.421 3.300 20 0 GGADMN CC(C)c1nc(CNC(=O)N[C@H](C)Cc2cccc(Br)c2)n[nH]1 ZINC000297057387 565354208 /nfs/dbraw/zinc/35/42/08/565354208.db2.gz CVZCFXXOKODVQH-LLVKDONJSA-N 0 1 380.290 3.121 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccsc2Cl)N(C)C)cc1 ZINC000187775641 565354654 /nfs/dbraw/zinc/35/46/54/565354654.db2.gz OGWSAUARUHPRSZ-HNNXBMFYSA-N 0 1 379.913 3.322 20 0 GGADMN O[C@H](COCc1cccs1)CN1CCN(Cc2ccccc2Cl)CC1 ZINC000164033617 565354852 /nfs/dbraw/zinc/35/48/52/565354852.db2.gz ZLJMZERVASMQCV-KRWDZBQOSA-N 0 1 380.941 3.097 20 0 GGADMN CC(C)c1nnc2ccc(NS(=O)(=O)c3cccc(Br)c3)cn21 ZINC000187782948 565355094 /nfs/dbraw/zinc/35/50/94/565355094.db2.gz XOZQCPNELMLUTF-UHFFFAOYSA-N 0 1 395.282 3.416 20 0 GGADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cncs1 ZINC000164003461 565355136 /nfs/dbraw/zinc/35/51/36/565355136.db2.gz LOJVWIOHBAFUAC-GJZGRUSLSA-N 0 1 379.551 3.415 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c(C)c1C ZINC000274071871 565355507 /nfs/dbraw/zinc/35/55/07/565355507.db2.gz PJIXWCCKHDNLEP-UHFFFAOYSA-N 0 1 377.388 3.174 20 0 GGADMN COc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000297106302 565355938 /nfs/dbraw/zinc/35/59/38/565355938.db2.gz YHUSBBIVIBJHMZ-QGZVFWFLSA-N 0 1 382.302 3.407 20 0 GGADMN CCSc1cc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccn1 ZINC000187795718 565356044 /nfs/dbraw/zinc/35/60/44/565356044.db2.gz XUHAYFAXZHNDLM-AWEZNQCLSA-N 0 1 379.551 3.295 20 0 GGADMN COc1cc(C)c(Br)cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000297094189 565356249 /nfs/dbraw/zinc/35/62/49/565356249.db2.gz FXLFVYMJKKPIMB-UHFFFAOYSA-N 0 1 382.262 3.329 20 0 GGADMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(Cl)s1 ZINC000374852683 565357135 /nfs/dbraw/zinc/35/71/35/565357135.db2.gz CXAXTGIOALSXJL-AGUYFDCRSA-N 0 1 378.929 3.162 20 0 GGADMN C[C@@H](Cn1cc(Br)cn1)NCc1nccn1CCc1ccccc1 ZINC000164279889 565357193 /nfs/dbraw/zinc/35/71/93/565357193.db2.gz FIBBGORMPGNGMK-HNNXBMFYSA-N 0 1 388.313 3.263 20 0 GGADMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(Br)c(Br)c1 ZINC000187830710 565358050 /nfs/dbraw/zinc/35/80/50/565358050.db2.gz BVZUCEPKSKUJIS-XYZCENFISA-N 0 1 383.149 3.410 20 0 GGADMN COc1ccc(Br)c(CC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000164233645 565357969 /nfs/dbraw/zinc/35/79/69/565357969.db2.gz XVAZTEMPTUGWRR-UHFFFAOYSA-N 0 1 391.225 3.325 20 0 GGADMN Cc1csc([C@@H](NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)C(F)(F)F)n1 ZINC000297161928 565358741 /nfs/dbraw/zinc/35/87/41/565358741.db2.gz SQEZEZMJYRFJMS-RKDXNWHRSA-N 0 1 376.408 3.357 20 0 GGADMN Cc1csc([C@H](NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)C(F)(F)F)n1 ZINC000297161919 565358749 /nfs/dbraw/zinc/35/87/49/565358749.db2.gz SQEZEZMJYRFJMS-BDAKNGLRSA-N 0 1 376.408 3.357 20 0 GGADMN Cc1csc([C@H](NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)C(F)(F)F)n1 ZINC000297161925 565358949 /nfs/dbraw/zinc/35/89/49/565358949.db2.gz SQEZEZMJYRFJMS-IUCAKERBSA-N 0 1 376.408 3.357 20 0 GGADMN CCOc1cc(Br)ccc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297182430 565360957 /nfs/dbraw/zinc/36/09/57/565360957.db2.gz SUQDPFYPMJFNRA-UHFFFAOYSA-N 0 1 380.246 3.165 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)o1 ZINC000164551590 565361416 /nfs/dbraw/zinc/36/14/16/565361416.db2.gz SNGXNWXENSOXQT-UHFFFAOYSA-N 0 1 388.239 3.246 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164515847 565361577 /nfs/dbraw/zinc/36/15/77/565361577.db2.gz KEABFIWWAJZOFB-ZJUUUORDSA-N 0 1 378.778 3.482 20 0 GGADMN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000164609999 565361806 /nfs/dbraw/zinc/36/18/06/565361806.db2.gz LYNDIHJCHQAHPO-UHFFFAOYSA-N 0 1 382.873 3.021 20 0 GGADMN O=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@H]1CNCCO1 ZINC000187873992 565361897 /nfs/dbraw/zinc/36/18/97/565361897.db2.gz YIMSKKPXTLADNX-MRXNPFEDSA-N 0 1 381.259 3.390 20 0 GGADMN CC(C)c1nc(CNC(=O)Nc2nc(Sc3ccccc3)ns2)n[nH]1 ZINC000297233278 565362985 /nfs/dbraw/zinc/36/29/85/565362985.db2.gz WZVVVZCLKPCRGH-UHFFFAOYSA-N 0 1 375.483 3.253 20 0 GGADMN Cc1cc(N2CCC[C@@H](NCc3cncs3)C2=O)ccc1Br ZINC000164793118 565363247 /nfs/dbraw/zinc/36/32/47/565363247.db2.gz NHRFLICVMODEOZ-OAHLLOKOSA-N 0 1 380.311 3.499 20 0 GGADMN Cc1nc(NC(=O)NCCc2nc[nH]n2)sc1Cc1ccccc1Cl ZINC000297227624 565363473 /nfs/dbraw/zinc/36/34/73/565363473.db2.gz WHFIQCUCAPOYSQ-UHFFFAOYSA-N 0 1 376.873 3.178 20 0 GGADMN Clc1ccc(-n2cc(CNCCc3cn4c(n3)SCC4)nn2)cc1Cl ZINC000274288110 565365073 /nfs/dbraw/zinc/36/50/73/565365073.db2.gz XNXRYHJRNJZGCS-UHFFFAOYSA-N 0 1 395.319 3.209 20 0 GGADMN Brc1cncc(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000274315496 565366646 /nfs/dbraw/zinc/36/66/46/565366646.db2.gz IXIBMSUEXIVFNQ-UHFFFAOYSA-N 0 1 378.270 3.087 20 0 GGADMN C[C@H](CS(C)(=O)=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000187961609 565366920 /nfs/dbraw/zinc/36/69/20/565366920.db2.gz IIBGTZKJGDNGEV-MEBBXXQBSA-N 0 1 378.307 3.452 20 0 GGADMN O=C(Nc1ccnc(Br)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000297353533 565368737 /nfs/dbraw/zinc/36/87/37/565368737.db2.gz KHIGQZXCMMXIBO-LLVKDONJSA-N 0 1 391.273 3.251 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000297358853 565369098 /nfs/dbraw/zinc/36/90/98/565369098.db2.gz IHFOHQVPPOSYHQ-DLBZAZTESA-N 0 1 381.929 3.379 20 0 GGADMN O=C(Nc1ccnc(Br)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000297353539 565369168 /nfs/dbraw/zinc/36/91/68/565369168.db2.gz KHIGQZXCMMXIBO-NSHDSACASA-N 0 1 391.273 3.251 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)Nc3cccc(C)c3Br)CCO2)n[nH]1 ZINC000274415774 565370043 /nfs/dbraw/zinc/37/00/43/565370043.db2.gz NFNQPBDBNOXTTC-GFCCVEGCSA-N 0 1 394.273 3.043 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCc1cccc(Br)c1 ZINC000297378869 565370227 /nfs/dbraw/zinc/37/02/27/565370227.db2.gz MXXFCPOQEWZHHE-UHFFFAOYSA-N 0 1 390.353 3.040 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000375131309 565370666 /nfs/dbraw/zinc/37/06/66/565370666.db2.gz LRPRGILHMJKPNL-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN O=S(=O)([N-]c1cc[nH+]cc1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000188022121 565372547 /nfs/dbraw/zinc/37/25/47/565372547.db2.gz LVVHMQRXDZBQIP-OAHLLOKOSA-N 0 1 382.869 3.484 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](C)c3cc(Cl)ccc3Cl)CCO2)n[nH]1 ZINC000188046103 565373290 /nfs/dbraw/zinc/37/32/90/565373290.db2.gz IWTLTGKJWQRSKJ-XPTSAGLGSA-N 0 1 384.267 3.264 20 0 GGADMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000375187988 565373990 /nfs/dbraw/zinc/37/39/90/565373990.db2.gz 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Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000375338939 565381848 /nfs/dbraw/zinc/38/18/48/565381848.db2.gz UWEBRDALEVQNPN-UHFFFAOYSA-N 0 1 381.263 3.370 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](O)CCc1ccccc1 ZINC000274793114 565381853 /nfs/dbraw/zinc/38/18/53/565381853.db2.gz MVZSZCBILRUXRE-QGZVFWFLSA-N 0 1 381.925 3.217 20 0 GGADMN O=C(CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1)NC(=O)NC1CC1 ZINC000188186705 565386091 /nfs/dbraw/zinc/38/60/91/565386091.db2.gz OEEFNAFJRIIMKC-HNNXBMFYSA-N 0 1 398.276 3.007 20 0 GGADMN COc1ccc(-c2n[nH]c(SCCCC(=O)N(C)C)n2)cc1Br ZINC000188195047 565387470 /nfs/dbraw/zinc/38/74/70/565387470.db2.gz POGJFGMETWXGCQ-UHFFFAOYSA-N 0 1 399.314 3.203 20 0 GGADMN COc1cc(Br)cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000297820888 565388086 /nfs/dbraw/zinc/38/80/86/565388086.db2.gz QNMUXDHTLOVSPD-QGZVFWFLSA-N 0 1 382.302 3.407 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000297832685 565389539 /nfs/dbraw/zinc/38/95/39/565389539.db2.gz 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Cc1nc(CCC(=O)N2CCN[C@H](C)C2)oc1-c1ccc(Br)cc1 ZINC000188409629 565399988 /nfs/dbraw/zinc/39/99/88/565399988.db2.gz UMOHFLAQWDXWFI-GFCCVEGCSA-N 0 1 392.297 3.165 20 0 GGADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)Nc1nccs1 ZINC000170961933 565400851 /nfs/dbraw/zinc/40/08/51/565400851.db2.gz HEFTYUROOWLBHJ-UHFFFAOYSA-N 0 1 379.917 3.130 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000171000635 565401481 /nfs/dbraw/zinc/40/14/81/565401481.db2.gz YSBMRJCMOMBPPO-UHFFFAOYSA-N 0 1 381.929 3.134 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c1Br ZINC000375746339 565403545 /nfs/dbraw/zinc/40/35/45/565403545.db2.gz ALDVLYKQFAGPRR-UHFFFAOYSA-N 0 1 386.681 3.062 20 0 GGADMN CCCOc1c(Br)cc(CN[C@H](C)C(=O)N(C)CC)cc1OC ZINC000188469256 565403742 /nfs/dbraw/zinc/40/37/42/565403742.db2.gz JPRRXOPUFRLREJ-GFCCVEGCSA-N 0 1 387.318 3.203 20 0 GGADMN Cc1cc(Br)c2c(c1)CN(C(=O)NCc1n[nH]c(C3CC3)n1)CC2 ZINC000298212877 565404256 /nfs/dbraw/zinc/40/42/56/565404256.db2.gz UUYVWSAFPWWXPK-UHFFFAOYSA-N 0 1 390.285 3.021 20 0 GGADMN Ic1cnc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000375764168 565404866 /nfs/dbraw/zinc/40/48/66/565404866.db2.gz PEWABWSIMAMAQA-BIMULSAOSA-N 0 1 390.290 3.185 20 0 GGADMN Ic1cnc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000375764170 565404953 /nfs/dbraw/zinc/40/49/53/565404953.db2.gz PEWABWSIMAMAQA-WQAKAFBOSA-N 0 1 390.290 3.185 20 0 GGADMN C[C@]1(CNCc2ncc(I)s2)CCO[C@@H]1C1CC1 ZINC000375769089 565405127 /nfs/dbraw/zinc/40/51/27/565405127.db2.gz PJHKMFGDMMJKRY-CHWSQXEVSA-N 0 1 378.279 3.043 20 0 GGADMN C[C@@]1(CNCc2ncc(I)s2)CCO[C@H]1C1CC1 ZINC000375769099 565405567 /nfs/dbraw/zinc/40/55/67/565405567.db2.gz PJHKMFGDMMJKRY-STQMWFEESA-N 0 1 378.279 3.043 20 0 GGADMN Cc1c(Br)cccc1NC(=O)c1ccccc1NS(C)(=O)=O ZINC000171043218 565405766 /nfs/dbraw/zinc/40/57/66/565405766.db2.gz WPIJZVSVVANXQB-UHFFFAOYSA-N 0 1 383.267 3.381 20 0 GGADMN CCN(Cc1cccc(Br)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298247405 565406212 /nfs/dbraw/zinc/40/62/12/565406212.db2.gz 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/nfs/dbraw/zinc/40/91/50/565409150.db2.gz IYBQHGDKAUYOIU-UHFFFAOYSA-N 0 1 395.244 3.343 20 0 GGADMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ncc(Br)s1 ZINC000188558356 565409495 /nfs/dbraw/zinc/40/94/95/565409495.db2.gz KBZFUARMROAIRZ-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNCC1CCN(CC(F)(F)F)CC1 ZINC000275421465 565409770 /nfs/dbraw/zinc/40/97/70/565409770.db2.gz BXFBDAVCBVMQOB-UHFFFAOYSA-N 0 1 398.878 3.107 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC000298374425 565410724 /nfs/dbraw/zinc/41/07/24/565410724.db2.gz DCJDCHSZTNEVSV-RTBURBONSA-N 0 1 379.909 3.375 20 0 GGADMN CCc1nc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000298370669 565411303 /nfs/dbraw/zinc/41/13/03/565411303.db2.gz QDHPFLBOYKJBDU-XYPYZODXSA-N 0 1 396.264 3.014 20 0 GGADMN CC(C)C(=O)NC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000275445552 565411316 /nfs/dbraw/zinc/41/13/16/565411316.db2.gz HTXQAHLTVDSQKW-UHFFFAOYSA-N 0 1 387.293 3.204 20 0 GGADMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCCc2[nH]cnc21 ZINC000375912564 565412391 /nfs/dbraw/zinc/41/23/91/565412391.db2.gz PVEGYHCYMYOQRB-HIFRSBDPSA-N 0 1 375.270 3.255 20 0 GGADMN COc1cc(Br)c(CN2CCC[C@@H](C3OCCO3)C2)cc1OC ZINC000171144230 565412917 /nfs/dbraw/zinc/41/29/17/565412917.db2.gz ICPQXZYGRXDARP-GFCCVEGCSA-N 0 1 386.286 3.051 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375913078 565413028 /nfs/dbraw/zinc/41/30/28/565413028.db2.gz GHOBEMRLEQHNOW-UHFFFAOYSA-N 0 1 393.285 3.212 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c(Br)c1 ZINC000298414579 565413412 /nfs/dbraw/zinc/41/34/12/565413412.db2.gz XMPOQDJCXDXZOU-KRWDZBQOSA-N 0 1 397.361 3.151 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CS2)c1ccsc1 ZINC000298453721 565414030 /nfs/dbraw/zinc/41/40/30/565414030.db2.gz IRFBPRVXEIFTQR-AWEZNQCLSA-N 0 1 376.507 3.217 20 0 GGADMN Cc1c(Br)cccc1NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000171154263 565414013 /nfs/dbraw/zinc/41/40/13/565414013.db2.gz QTFMIQGNIYXOSL-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN CCCCCc1nnc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)s1 ZINC000298449148 565414068 /nfs/dbraw/zinc/41/40/68/565414068.db2.gz UWYBPANBECUPPH-UHFFFAOYSA-N 0 1 375.479 3.461 20 0 GGADMN C[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CCN1CC(C)(C)O ZINC000188632512 565414308 /nfs/dbraw/zinc/41/43/08/565414308.db2.gz IRLCLZIQRQCZEB-AWEZNQCLSA-N 0 1 397.357 3.030 20 0 GGADMN C[C@@]1(O)CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000375925584 565414496 /nfs/dbraw/zinc/41/44/96/565414496.db2.gz ADGIQUKBINTOBH-QGZVFWFLSA-N 0 1 378.270 3.216 20 0 GGADMN O=C(Nc1cn[nH]c1)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000171183379 565415088 /nfs/dbraw/zinc/41/50/88/565415088.db2.gz HIVYVSGFXXAWME-UHFFFAOYSA-N 0 1 376.825 3.116 20 0 GGADMN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccco1 ZINC000188640816 565415190 /nfs/dbraw/zinc/41/51/90/565415190.db2.gz MODJWHXBKANJFI-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000375969634 565416529 /nfs/dbraw/zinc/41/65/29/565416529.db2.gz QLVMMVZUFRWPJX-UHFFFAOYSA-N 0 1 375.523 3.475 20 0 GGADMN CCS(=O)(=O)CCCCCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000298487174 565416693 /nfs/dbraw/zinc/41/66/93/565416693.db2.gz TVLIVQRGCVGOTK-INIZCTEOSA-N 0 1 392.359 3.019 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCN1CC(C)(C)O ZINC000188673914 565417088 /nfs/dbraw/zinc/41/70/88/565417088.db2.gz POPGDNFUZQZVMN-BPLDGKMQSA-N 0 1 385.335 3.401 20 0 GGADMN O=C(/C=C/c1ccc(Br)s1)N1CCC(CN2CCOCC2)CC1 ZINC000298491176 565417194 /nfs/dbraw/zinc/41/71/94/565417194.db2.gz DFMMVEAEXJOFKC-DUXPYHPUSA-N 0 1 399.354 3.095 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H]1SC ZINC000298528209 565417690 /nfs/dbraw/zinc/41/76/90/565417690.db2.gz RZJVTZHJJRHWQH-WZRBSPASSA-N 0 1 394.850 3.400 20 0 GGADMN O=C(Nc1cnns1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000188699986 565418207 /nfs/dbraw/zinc/41/82/07/565418207.db2.gz KAGQYMRVIFZCCL-UHFFFAOYSA-N 0 1 394.865 3.245 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000188713917 565419648 /nfs/dbraw/zinc/41/96/48/565419648.db2.gz LHIKFLGAGYFRCH-CQSZACIVSA-N 0 1 380.491 3.019 20 0 GGADMN O=C(CN(CCO)C1CCOCC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000275649776 565421141 /nfs/dbraw/zinc/42/11/41/565421141.db2.gz WXPADBCXRRFLNT-UHFFFAOYSA-N 0 1 381.687 3.059 20 0 GGADMN O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CCCc2cn[nH]c21 ZINC000275640113 565421410 /nfs/dbraw/zinc/42/14/10/565421410.db2.gz VEOYDQVCAZVCKD-CYBMUJFWSA-N 0 1 383.221 3.120 20 0 GGADMN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1C[C@H](F)CN1 ZINC000188751962 565422313 /nfs/dbraw/zinc/42/23/13/565422313.db2.gz DUNDMNBBZNSFKC-SMDDNHRTSA-N 0 1 380.217 3.275 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1C(F)(F)F ZINC000171261782 565422521 /nfs/dbraw/zinc/42/25/21/565422521.db2.gz YXOUHAPWAVWXKD-UHFFFAOYSA-N 0 1 377.315 3.417 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298675100 565424785 /nfs/dbraw/zinc/42/47/85/565424785.db2.gz UKEIFHOJUIJFIS-HNNXBMFYSA-N 0 1 397.338 3.378 20 0 GGADMN COCCO[C@@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000188819376 565425435 /nfs/dbraw/zinc/42/54/35/565425435.db2.gz HHFQCIUIGIOULL-GOSISDBHSA-N 0 1 394.313 3.181 20 0 GGADMN Brc1ccc(-c2nnc(CN3CC[C@@H](C4CCOCC4)C3)o2)o1 ZINC000376204254 565426047 /nfs/dbraw/zinc/42/60/47/565426047.db2.gz YRKBBICUXKMRKK-GFCCVEGCSA-N 0 1 382.258 3.341 20 0 GGADMN O=C(CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)Nc1cccc(F)c1 ZINC000188823602 565426297 /nfs/dbraw/zinc/42/62/97/565426297.db2.gz VEJQDMPNKJSLHL-UHFFFAOYSA-N 0 1 378.816 3.299 20 0 GGADMN CCOc1cc(CNCc2ccc(CS(C)(=O)=O)cc2)cc(Cl)c1O ZINC000298711826 565426383 /nfs/dbraw/zinc/42/63/83/565426383.db2.gz VDEJUMLEUVAVMR-UHFFFAOYSA-N 0 1 383.897 3.279 20 0 GGADMN COc1ccc([C@@H](C)NCc2cc(=O)n3ccccc3n2)cc1Br ZINC000171360880 565427950 /nfs/dbraw/zinc/42/79/50/565427950.db2.gz QPKZAKZTKVFNIB-GFCCVEGCSA-N 0 1 388.265 3.316 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)cn1 ZINC000171356063 565428185 /nfs/dbraw/zinc/42/81/85/565428185.db2.gz CIEIHWASSKNQRP-AWEZNQCLSA-N 0 1 380.311 3.473 20 0 GGADMN O=C(NCCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1cccs1 ZINC000188863847 565428708 /nfs/dbraw/zinc/42/87/08/565428708.db2.gz HEPQHTYLEOSYJN-UHFFFAOYSA-N 0 1 394.909 3.403 20 0 GGADMN CN1CCN(Cc2ccc(NCc3ccncc3)cc2Br)CC1 ZINC000188883396 565429872 /nfs/dbraw/zinc/42/98/72/565429872.db2.gz GZHJUGFAUCYYFX-UHFFFAOYSA-N 0 1 375.314 3.204 20 0 GGADMN Cc1noc(C)c1CNc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000188883242 565429983 /nfs/dbraw/zinc/42/99/83/565429983.db2.gz UBPMRUXPUBVQTR-UHFFFAOYSA-N 0 1 393.329 3.413 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC000275867333 565430689 /nfs/dbraw/zinc/43/06/89/565430689.db2.gz ZQKVKSZGYRVYMY-DWTRPJMMSA-N 0 1 385.291 3.404 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nnc(-c3ccccc3Cl)s2)C1(C)C ZINC000275866999 565430745 /nfs/dbraw/zinc/43/07/45/565430745.db2.gz ZKFAULCHOFAILL-SJCJKPOMSA-N 0 1 380.901 3.330 20 0 GGADMN COC[C@@H](NCCC(=O)Nc1ccc(Br)cc1F)c1ccco1 ZINC000298872226 565431867 /nfs/dbraw/zinc/43/18/67/565431867.db2.gz JOJHTUBFNGMXRA-CQSZACIVSA-N 0 1 385.233 3.487 20 0 GGADMN COC[C@H](NCCC(=O)Nc1ccc(Br)cc1F)c1ccco1 ZINC000298872220 565431930 /nfs/dbraw/zinc/43/19/30/565431930.db2.gz JOJHTUBFNGMXRA-AWEZNQCLSA-N 0 1 385.233 3.487 20 0 GGADMN CCC[C@@H](NCc1cccc(S(=O)(=O)NCCOC)c1)c1ccsc1 ZINC000276001466 565432674 /nfs/dbraw/zinc/43/26/74/565432674.db2.gz AOXXULAFMGEUCO-GOSISDBHSA-N 0 1 382.551 3.304 20 0 GGADMN CC[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)[NH+](C)C ZINC000298898139 565433008 /nfs/dbraw/zinc/43/30/08/565433008.db2.gz KNJTXJLNZSWWKT-JTQLQIEISA-N 0 1 380.080 3.196 20 0 GGADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccccc2C)cc1OC ZINC000188923211 565433300 /nfs/dbraw/zinc/43/33/00/565433300.db2.gz OTKFRXPELPANEX-MRXNPFEDSA-N 0 1 394.309 3.468 20 0 GGADMN CC(C)C(=O)N1CCCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000188939704 565434613 /nfs/dbraw/zinc/43/46/13/565434613.db2.gz SXBSAXVFPYCUBJ-UHFFFAOYSA-N 0 1 387.293 3.157 20 0 GGADMN C[C@H](c1ncc(Br)cn1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000376518755 565440351 /nfs/dbraw/zinc/44/03/51/565440351.db2.gz OBJWXBKEXOMTTK-PWSUYJOCSA-N 0 1 377.290 3.175 20 0 GGADMN C[C@H](c1ncc(Br)cn1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000376518755 565440353 /nfs/dbraw/zinc/44/03/53/565440353.db2.gz OBJWXBKEXOMTTK-PWSUYJOCSA-N 0 1 377.290 3.175 20 0 GGADMN O=C1c2ccccc2CCN1CCNCc1cc(Br)ccc1F ZINC000189053147 565440864 /nfs/dbraw/zinc/44/08/64/565440864.db2.gz YBCMYOHQWLGDAE-UHFFFAOYSA-N 0 1 377.257 3.376 20 0 GGADMN O[C@H](COc1ccccc1Cl)CN1CCN(CCc2cccs2)CC1 ZINC000299163888 565442910 /nfs/dbraw/zinc/44/29/10/565442910.db2.gz NFDUGLJXOKCMMM-INIZCTEOSA-N 0 1 380.941 3.002 20 0 GGADMN CCC[N@@H+](CCc1cccs1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000299216962 565443653 /nfs/dbraw/zinc/44/36/53/565443653.db2.gz HIRCAOINNLHQDJ-LJQANCHMSA-N 0 1 381.563 3.314 20 0 GGADMN O=C(Cn1cc(Br)cn1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000299317482 565447137 /nfs/dbraw/zinc/44/71/37/565447137.db2.gz ZOYIYTUJVROKOB-CQSZACIVSA-N 0 1 390.241 3.012 20 0 GGADMN CSc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1F ZINC000189157163 565447850 /nfs/dbraw/zinc/44/78/50/565447850.db2.gz HWDFNFQRJLZKOT-CYBMUJFWSA-N 0 1 383.510 3.164 20 0 GGADMN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000171751053 565448501 /nfs/dbraw/zinc/44/85/01/565448501.db2.gz QRROUNBZIWXMCH-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000189161155 565448894 /nfs/dbraw/zinc/44/88/94/565448894.db2.gz MYDLSVFOZYHSGI-CYBMUJFWSA-N 0 1 382.551 3.192 20 0 GGADMN Cc1cccc(C)c1OCCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000171758542 565449455 /nfs/dbraw/zinc/44/94/55/565449455.db2.gz QFUNNIAPXRUIHV-MRXNPFEDSA-N 0 1 377.282 3.261 20 0 GGADMN CC1(C)COCCN1CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000171785552 565450555 /nfs/dbraw/zinc/45/05/55/565450555.db2.gz XKGZUQNGXPEWIO-UHFFFAOYSA-N 0 1 393.329 3.040 20 0 GGADMN CCOC(=O)CCC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000276495703 565450915 /nfs/dbraw/zinc/45/09/15/565450915.db2.gz AVXXRNNABHIPDP-UHFFFAOYSA-N 0 1 383.857 3.138 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC3CC3)n2)cc1Br ZINC000276522426 565451836 /nfs/dbraw/zinc/45/18/36/565451836.db2.gz BEFIQJYKIMVNMQ-QMMMGPOBSA-N 0 1 397.298 3.002 20 0 GGADMN COCC[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000299463954 565452384 /nfs/dbraw/zinc/45/23/84/565452384.db2.gz XRWOVILOZZSKPI-UHFFFAOYSA-N 0 1 392.297 3.321 20 0 GGADMN COCCN(CCC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000299463954 565452388 /nfs/dbraw/zinc/45/23/88/565452388.db2.gz XRWOVILOZZSKPI-UHFFFAOYSA-N 0 1 392.297 3.321 20 0 GGADMN COC(=O)[C@H]1CN(C(=O)c2ccc(Br)cc2O)c2ccccc21 ZINC000171879987 565455452 /nfs/dbraw/zinc/45/54/52/565455452.db2.gz DLAWWNYHVNWZKW-ZDUSSCGKSA-N 0 1 376.206 3.072 20 0 GGADMN CCc1cccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000189293813 565456760 /nfs/dbraw/zinc/45/67/60/565456760.db2.gz UMFGAXAOTRXIJD-UHFFFAOYSA-N 0 1 378.460 3.037 20 0 GGADMN Fc1cccc(Cl)c1Cc1nnc(SCCN2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000376869965 565457585 /nfs/dbraw/zinc/45/75/85/565457585.db2.gz NEHIPKZDEVWNAN-TXEJJXNPSA-N 0 1 383.876 3.408 20 0 GGADMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189301649 565457722 /nfs/dbraw/zinc/45/77/22/565457722.db2.gz YWGSHKJJAGGVJS-ZDUSSCGKSA-N 0 1 393.260 3.229 20 0 GGADMN CC[C@]1(CO)CCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000189307425 565457832 /nfs/dbraw/zinc/45/78/32/565457832.db2.gz NFVGIENISAVALW-QGZVFWFLSA-N 0 1 378.270 3.216 20 0 GGADMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189301673 565458322 /nfs/dbraw/zinc/45/83/22/565458322.db2.gz YWGSHKJJAGGVJS-CYBMUJFWSA-N 0 1 393.260 3.229 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2nnc(CC(F)(F)F)s2)n[nH]1 ZINC000276793724 565460832 /nfs/dbraw/zinc/46/08/32/565460832.db2.gz FQGAPFORFNYRDS-RQJHMYQMSA-N 0 1 377.396 3.157 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2sccc2Br)n[nH]1 ZINC000276799619 565460965 /nfs/dbraw/zinc/46/09/65/565460965.db2.gz GFUAMNZCEPLXMH-JGVFFNPUSA-N 0 1 393.332 3.182 20 0 GGADMN COc1ccc([C@@H](CO)N(C)Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000171998227 565461343 /nfs/dbraw/zinc/46/13/43/565461343.db2.gz YGIBOOULSBSKNA-MRXNPFEDSA-N 0 1 394.265 3.352 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)ccnc2Cl)n[nH]1 ZINC000276803436 565461348 /nfs/dbraw/zinc/46/13/48/565461348.db2.gz GQYLCCMGDBKSFH-HTQZYQBOSA-N 0 1 378.285 3.060 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000300541927 565461942 /nfs/dbraw/zinc/46/19/42/565461942.db2.gz RSPQYZFJSXFRLM-LLVKDONJSA-N 0 1 395.750 3.207 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000189396428 565462483 /nfs/dbraw/zinc/46/24/83/565462483.db2.gz ZZPVKCLMVUALQU-UHFFFAOYSA-N 0 1 387.244 3.297 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)c1Br ZINC000377043626 565463675 /nfs/dbraw/zinc/46/36/75/565463675.db2.gz FJVAXJZZBPXFPA-GFCCVEGCSA-N 0 1 388.269 3.172 20 0 GGADMN O=C1[C@@H](NC2(c3cccc(Br)c3)CCC2)CCN1C1CCOCC1 ZINC000377049557 565464135 /nfs/dbraw/zinc/46/41/35/565464135.db2.gz ASRVBZDZHSZEEE-KRWDZBQOSA-N 0 1 393.325 3.198 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000276867353 565464458 /nfs/dbraw/zinc/46/44/58/565464458.db2.gz LDLDKUONVUHUQT-DTWKUNHWSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000276867357 565464558 /nfs/dbraw/zinc/46/45/58/565464558.db2.gz LDLDKUONVUHUQT-RKDXNWHRSA-N 0 1 384.267 3.441 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276887767 565465666 /nfs/dbraw/zinc/46/56/66/565465666.db2.gz NFOWSPULSFIMQC-JGVFFNPUSA-N 0 1 376.408 3.354 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276887772 565465685 /nfs/dbraw/zinc/46/56/85/565465685.db2.gz NFOWSPULSFIMQC-SFYZADRCSA-N 0 1 376.408 3.354 20 0 GGADMN Brc1ccc(C2(CNc3ncnc4[nH]cnc43)CCOCC2)cc1 ZINC000301139897 565465978 /nfs/dbraw/zinc/46/59/78/565465978.db2.gz HDLPXWHSQXUCIM-UHFFFAOYSA-N 0 1 388.269 3.276 20 0 GGADMN CCN(CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)C(F)(F)F ZINC000189443349 565466020 /nfs/dbraw/zinc/46/60/20/565466020.db2.gz JWZISBFZTOGCAJ-LBPRGKRZSA-N 0 1 383.208 3.023 20 0 GGADMN C[C@H](NCCOc1cc(F)cc(Br)c1)c1nnc2ccccn21 ZINC000189440409 565466442 /nfs/dbraw/zinc/46/64/42/565466442.db2.gz XXQSKDIZLBGEEC-NSHDSACASA-N 0 1 379.233 3.361 20 0 GGADMN O=C(CNC(=O)c1ccc(Br)s1)Nc1cccc(Cl)c1O ZINC000172111903 565467033 /nfs/dbraw/zinc/46/70/33/565467033.db2.gz LFRRUFCJMDUETO-UHFFFAOYSA-N 0 1 389.658 3.238 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000172121887 565467379 /nfs/dbraw/zinc/46/73/79/565467379.db2.gz JXZZLCLQJCLVHX-CABZTGNLSA-N 0 1 393.349 3.081 20 0 GGADMN C[C@@H](CS(C)(=O)=O)NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000172122140 565467391 /nfs/dbraw/zinc/46/73/91/565467391.db2.gz GBWZTMJGVVTEFJ-ZDUSSCGKSA-N 0 1 380.897 3.115 20 0 GGADMN C[C@H](CS(C)(=O)=O)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000172121922 565467572 /nfs/dbraw/zinc/46/75/72/565467572.db2.gz PZYKBDGBACEKDV-CQSZACIVSA-N 0 1 375.519 3.124 20 0 GGADMN CCc1c(NC(=O)[C@H](C)n2cncn2)[nH]nc1-c1ccc(Br)cc1 ZINC000172141851 565468309 /nfs/dbraw/zinc/46/83/09/565468309.db2.gz DQYMXNFSABBILY-JTQLQIEISA-N 0 1 389.257 3.193 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1CC(=O)[O-] ZINC000276969486 565468586 /nfs/dbraw/zinc/46/85/86/565468586.db2.gz GUIBSEJUARTEPQ-UHFFFAOYSA-N 0 1 381.881 3.051 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 ZINC000276967369 565469033 /nfs/dbraw/zinc/46/90/33/565469033.db2.gz XRWGDQAQHFLPPJ-RKDXNWHRSA-N 0 1 384.267 3.441 20 0 GGADMN Cc1cccc(N2CCN(CCCNc3ncc(Br)cn3)CC2)c1 ZINC000301190991 565470947 /nfs/dbraw/zinc/47/09/47/565470947.db2.gz ZAHYYFDUEJXPFM-UHFFFAOYSA-N 0 1 390.329 3.172 20 0 GGADMN O=C(Cc1ccc(Br)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000172244025 565473766 /nfs/dbraw/zinc/47/37/66/565473766.db2.gz FMSUBIHEBPTCAP-UHFFFAOYSA-N 0 1 388.309 3.167 20 0 GGADMN O=C(CCc1cnc[nH]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000189565842 565475289 /nfs/dbraw/zinc/47/52/89/565475289.db2.gz ONGJTQWXBHEHET-UHFFFAOYSA-N 0 1 378.270 3.175 20 0 GGADMN C[C@@H](NC(=O)NCCN1CCCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000189602500 565476375 /nfs/dbraw/zinc/47/63/75/565476375.db2.gz DVGFHQPBQMJBKH-LLVKDONJSA-N 0 1 378.275 3.215 20 0 GGADMN C[C@H](NC1CCN(c2cccnn2)CC1)c1ncc(Br)cc1F ZINC000277119707 565477842 /nfs/dbraw/zinc/47/78/42/565477842.db2.gz NKBGCLVTNSRJGO-NSHDSACASA-N 0 1 380.265 3.093 20 0 GGADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000277120480 565477968 /nfs/dbraw/zinc/47/79/68/565477968.db2.gz WTVVGFGRDWUHQV-UHFFFAOYSA-N 0 1 379.913 3.415 20 0 GGADMN O=C([O-])[C@H](CN1CCCCC1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000277157425 565478749 /nfs/dbraw/zinc/47/87/49/565478749.db2.gz DBNYMENUWSUONK-AWEZNQCLSA-N 0 1 375.694 3.131 20 0 GGADMN O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000277157430 565478921 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O=C([O-])[C@H](CN1CCCCC1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000277257976 565484556 /nfs/dbraw/zinc/48/45/56/565484556.db2.gz KKZKOEYAPPBMJR-AWEZNQCLSA-N 0 1 375.694 3.131 20 0 GGADMN Brc1ccc2nc(N3CC[C@@H](CN4CCOCC4)C3)ccc2c1 ZINC000301473902 565488317 /nfs/dbraw/zinc/48/83/17/565488317.db2.gz VHUCGYNUGSYUBP-AWEZNQCLSA-N 0 1 376.298 3.156 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2CCC1CC2 ZINC000189789402 565488269 /nfs/dbraw/zinc/48/82/69/565488269.db2.gz JNLSRTUMZUWWBE-UHFFFAOYSA-N 0 1 381.929 3.086 20 0 GGADMN CN(Cc1coc(-c2ccc(Br)cc2)n1)CC1(O)CCOCC1 ZINC000189787793 565488926 /nfs/dbraw/zinc/48/89/26/565488926.db2.gz UAPVOWMPCKPDNP-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(Cl)c3O)cc2C[C@H]1C ZINC000172515875 565489273 /nfs/dbraw/zinc/48/92/73/565489273.db2.gz DSKVAEFIROPVGS-SNVBAGLBSA-N 0 1 380.853 3.144 20 0 GGADMN O[C@H](COC1CCOCC1)CN1CCC(c2ccccc2Br)CC1 ZINC000189812619 565489536 /nfs/dbraw/zinc/48/95/36/565489536.db2.gz FVLSCNFLUNFDLS-INIZCTEOSA-N 0 1 398.341 3.185 20 0 GGADMN CSc1ccc(Cl)c(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 ZINC000172597112 565494424 /nfs/dbraw/zinc/49/44/24/565494424.db2.gz WAAAEGVROFMMJH-UHFFFAOYSA-N 0 1 377.897 3.475 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189898116 565495892 /nfs/dbraw/zinc/49/58/92/565495892.db2.gz ALIHSMZXZJTYRP-OLZOCXBDSA-N 0 1 388.339 3.097 20 0 GGADMN Brc1cccc2ccc(N3CC[C@H](CN4CCOCC4)C3)nc12 ZINC000301601524 565498380 /nfs/dbraw/zinc/49/83/80/565498380.db2.gz JFYLFBFYMWOPDQ-CQSZACIVSA-N 0 1 376.298 3.156 20 0 GGADMN C[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(Br)cc1 ZINC000172725596 565500708 /nfs/dbraw/zinc/50/07/08/565500708.db2.gz CREVDDQTHQMIEM-LLVKDONJSA-N 0 1 396.310 3.187 20 0 GGADMN Cn1ccnc1[C@H]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000377827640 565501224 /nfs/dbraw/zinc/50/12/24/565501224.db2.gz YNHJXLFNQUBEBK-AWEZNQCLSA-N 0 1 392.297 3.333 20 0 GGADMN NC(=O)C[C@@H]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000377840965 565501585 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O=C(c1cc(Cl)cc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000190112428 565508411 /nfs/dbraw/zinc/50/84/11/565508411.db2.gz JWTPVGYZHIFYBS-LBPRGKRZSA-N 0 1 376.806 3.153 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1Cl ZINC000378022600 565509140 /nfs/dbraw/zinc/50/91/40/565509140.db2.gz DHNCNJCGDWGSKP-UHFFFAOYSA-N 0 1 384.866 3.194 20 0 GGADMN O=S(=O)(NCCNc1ccnc2cc(F)ccc21)c1ccc(Cl)s1 ZINC000301787301 565510719 /nfs/dbraw/zinc/51/07/19/565510719.db2.gz LSKIFFRTMAMFEX-UHFFFAOYSA-N 0 1 385.873 3.479 20 0 GGADMN Cc1cc(N[C@H](C)CN2CCN(c3ccccn3)CC2)ncc1Br ZINC000301830178 565511654 /nfs/dbraw/zinc/51/16/54/565511654.db2.gz PPQQLBBZHIQLEL-OAHLLOKOSA-N 0 1 390.329 3.170 20 0 GGADMN C[S@](=O)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1 ZINC000190151100 565511900 /nfs/dbraw/zinc/51/19/00/565511900.db2.gz KJLJGDBXVXQBQF-DEOSSOPVSA-N 0 1 379.894 3.459 20 0 GGADMN CCn1nc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1C ZINC000172904371 565512171 /nfs/dbraw/zinc/51/21/71/565512171.db2.gz XRUYMEQCLYZOTC-UHFFFAOYSA-N 0 1 394.241 3.361 20 0 GGADMN CN1CC[C@H](CNc2cnn(C)c(=O)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301891779 565516230 /nfs/dbraw/zinc/51/62/30/565516230.db2.gz RPUQEHJXGRIITK-BDJLRTHQSA-N 0 1 385.270 3.331 20 0 GGADMN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000277721120 565516700 /nfs/dbraw/zinc/51/67/00/565516700.db2.gz NLUFMGOFLIXLCK-LBPRGKRZSA-N 0 1 381.881 3.238 20 0 GGADMN CN1CC[C@H](CNc2cnn(C)c(=O)c2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301891781 565516784 /nfs/dbraw/zinc/51/67/84/565516784.db2.gz RPUQEHJXGRIITK-BZNIZROVSA-N 0 1 385.270 3.331 20 0 GGADMN CN1CC[C@@H](CNc2cnn(C)c(=O)c2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301891783 565516832 /nfs/dbraw/zinc/51/68/32/565516832.db2.gz RPUQEHJXGRIITK-MEDUHNTESA-N 0 1 385.270 3.331 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000172996083 565517875 /nfs/dbraw/zinc/51/78/75/565517875.db2.gz QWIDTISMGVKFQY-UHFFFAOYSA-N 0 1 388.225 3.027 20 0 GGADMN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190260341 565518815 /nfs/dbraw/zinc/51/88/15/565518815.db2.gz XTRZOEGNXWVCKS-UHFFFAOYSA-N 0 1 377.224 3.341 20 0 GGADMN CN(CC1(c2ccc(Br)cc2)CC1)c1cc(-n2cccn2)nc(N)n1 ZINC000301970079 565522154 /nfs/dbraw/zinc/52/21/54/565522154.db2.gz CWCGAPVSFTUXBE-UHFFFAOYSA-N 0 1 399.296 3.175 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Cc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000173089675 565525308 /nfs/dbraw/zinc/52/53/08/565525308.db2.gz TYITUBOPXCZNQT-BONVTDFDSA-N 0 1 383.279 3.199 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000173089613 565525542 /nfs/dbraw/zinc/52/55/42/565525542.db2.gz IHFRQOQEFDPOER-XUJVJEKNSA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000173089600 565525587 /nfs/dbraw/zinc/52/55/87/565525587.db2.gz IHFRQOQEFDPOER-JMSVASOKSA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CCO2)n[nH]1 ZINC000173091805 565526463 /nfs/dbraw/zinc/52/64/63/565526463.db2.gz XJNFZZHLIRYVOY-KFWWJZLASA-N 0 1 381.263 3.124 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000173091552 565526605 /nfs/dbraw/zinc/52/66/05/565526605.db2.gz MSXXVSCQCOJZRO-NFAWXSAZSA-N 0 1 381.263 3.124 20 0 GGADMN CC(C)[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C2CC2)no1 ZINC000173108737 565528175 /nfs/dbraw/zinc/52/81/75/565528175.db2.gz YZGWMQAGUVWYHF-CYBMUJFWSA-N 0 1 375.372 3.040 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c(C)o1 ZINC000378461067 565529243 /nfs/dbraw/zinc/52/92/43/565529243.db2.gz YBYSGWWMEHOAMJ-UHFFFAOYSA-N 0 1 377.388 3.207 20 0 GGADMN CC(C)[C@@H](CNc1ccnc2cc(Br)cnc21)N1CCOCC1 ZINC000302109698 565531135 /nfs/dbraw/zinc/53/11/35/565531135.db2.gz OWYHHSRNXWFFND-MRXNPFEDSA-N 0 1 379.302 3.161 20 0 GGADMN C[C@@H]1CN(CCCNc2ccnc3cc(Br)cnc32)C[C@H](C)O1 ZINC000302122845 565531401 /nfs/dbraw/zinc/53/14/01/565531401.db2.gz VDXLQWMMEXFWSG-BETUJISGSA-N 0 1 379.302 3.304 20 0 GGADMN COC(=O)CCN1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)[C@@H](C)C1 ZINC000302129764 565531425 /nfs/dbraw/zinc/53/14/25/565531425.db2.gz BNKUJWPOGRALNO-NSHDSACASA-N 0 1 383.279 3.010 20 0 GGADMN CC(C)OCCN1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000173168038 565533254 /nfs/dbraw/zinc/53/32/54/565533254.db2.gz IHKDHAMKAQYQFD-UHFFFAOYSA-N 0 1 388.339 3.365 20 0 GGADMN CN(CCn1ccnc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190511495 565537667 /nfs/dbraw/zinc/53/76/67/565537667.db2.gz ZUCUSERPDATFSE-INIZCTEOSA-N 0 1 394.313 3.335 20 0 GGADMN NC(=O)c1cnccc1NCC1(c2cccc(Br)c2)CCOCC1 ZINC000302239018 565538680 /nfs/dbraw/zinc/53/86/80/565538680.db2.gz WVXQDENJIVGCRE-UHFFFAOYSA-N 0 1 390.281 3.103 20 0 GGADMN Cc1c(Br)cccc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000173237477 565539444 /nfs/dbraw/zinc/53/94/44/565539444.db2.gz SUIJFPDDVZSTAF-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN C[C@H]1CN(C(=O)CNC2(c3ccc(Br)cc3)CCC2)C[C@H](C)O1 ZINC000173242904 565539475 /nfs/dbraw/zinc/53/94/75/565539475.db2.gz KYMCWHCYYKOHHA-KBPBESRZSA-N 0 1 381.314 3.054 20 0 GGADMN C[C@@H]1CN(C(=O)CNC2(c3ccc(Br)cc3)CCC2)C[C@H](C)O1 ZINC000173242888 565539685 /nfs/dbraw/zinc/53/96/85/565539685.db2.gz KYMCWHCYYKOHHA-OKILXGFUSA-N 0 1 381.314 3.054 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)ccn1 ZINC000383504303 565544139 /nfs/dbraw/zinc/54/41/39/565544139.db2.gz CWEKWPYTNLGRBX-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN Cc1nnsc1C[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC000384190229 565544326 /nfs/dbraw/zinc/54/43/26/565544326.db2.gz VDAWHJSXHMZYBU-UHFFFAOYSA-N 0 1 393.104 3.367 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000387120451 565549405 /nfs/dbraw/zinc/54/94/05/565549405.db2.gz HISYEOTZWTXUEF-LLVKDONJSA-N 0 1 389.677 3.370 20 0 GGADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000387120451 565549409 /nfs/dbraw/zinc/54/94/09/565549409.db2.gz HISYEOTZWTXUEF-LLVKDONJSA-N 0 1 389.677 3.370 20 0 GGADMN O=C(CNCc1cc(Br)cs1)Nc1ccc2c(c1)OCCO2 ZINC000387062289 565549601 /nfs/dbraw/zinc/54/96/01/565549601.db2.gz KLVJLTHVALYFGI-UHFFFAOYSA-N 0 1 383.267 3.010 20 0 GGADMN CN(CCCNCc1ncc(I)s1)c1ccccc1 ZINC000388214331 565550491 /nfs/dbraw/zinc/55/04/91/565550491.db2.gz PSKKGADBFKLMLG-UHFFFAOYSA-N 0 1 387.290 3.364 20 0 GGADMN O[C@H](CNc1ncc(Br)cc1Cl)CN1CCc2ccccc2C1 ZINC000302707144 565550932 /nfs/dbraw/zinc/55/09/32/565550932.db2.gz CRRKANXBBNQUAW-OAHLLOKOSA-N 0 1 396.716 3.329 20 0 GGADMN COCCN1CCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302698272 565551193 /nfs/dbraw/zinc/55/11/93/565551193.db2.gz AOPNXUOMURUGGO-UHFFFAOYSA-N 0 1 384.705 3.419 20 0 GGADMN CN1CCN(c2ccc(CNc3ncc(Br)cc3Cl)cn2)CC1 ZINC000302720199 565551908 /nfs/dbraw/zinc/55/19/08/565551908.db2.gz HGEXMVBMJHCABI-UHFFFAOYSA-N 0 1 396.720 3.256 20 0 GGADMN CC(C)(C)[S@](=O)Cc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278333933 565551989 /nfs/dbraw/zinc/55/19/89/565551989.db2.gz YHJNZJFYIYQTCE-UOXLDJKESA-N 0 1 376.400 3.111 20 0 GGADMN COc1ccc(Br)cc1NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190742453 565555454 /nfs/dbraw/zinc/55/54/54/565555454.db2.gz ZATFGQGEOAJEEL-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[C@@H](O)CN1CCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302774628 565555742 /nfs/dbraw/zinc/55/57/42/565555742.db2.gz DTRQQJSCXPOUOB-LLVKDONJSA-N 0 1 384.705 3.154 20 0 GGADMN CN(C)[C@H](CNc1cc(N2CCSCC2)ncn1)c1ccccc1Cl ZINC000302780811 565556379 /nfs/dbraw/zinc/55/63/79/565556379.db2.gz ITUFWTQRLRCCNZ-MRXNPFEDSA-N 0 1 377.945 3.398 20 0 GGADMN OCCn1ncc2c1CCC[C@H]2N[C@@H]1CCc2sc(Br)cc21 ZINC000390713270 565557769 /nfs/dbraw/zinc/55/77/69/565557769.db2.gz IOVRCORUESQBAZ-CHWSQXEVSA-N 0 1 382.327 3.354 20 0 GGADMN COCCO[C@@H]1C[C@H](CO)CN([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000278424254 565558019 /nfs/dbraw/zinc/55/80/19/565558019.db2.gz ZRHLAMICNYMDNL-YJLNNSPDSA-N 0 1 398.341 3.172 20 0 GGADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(Br)cc1 ZINC000390690053 565558142 /nfs/dbraw/zinc/55/81/42/565558142.db2.gz PENKICWHCDTADX-QGZVFWFLSA-N 0 1 376.250 3.339 20 0 GGADMN O=C1CCCCN1CC1CCN(C[C@H](O)c2cccc(Br)c2)CC1 ZINC000173445849 565558982 /nfs/dbraw/zinc/55/89/82/565558982.db2.gz MUHNWDPULRRDRL-SFHVURJKSA-N 0 1 395.341 3.207 20 0 GGADMN Brc1cncc(NCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000390896379 565559138 /nfs/dbraw/zinc/55/91/38/565559138.db2.gz RTXFZZZENPKUNJ-UHFFFAOYSA-N 0 1 375.314 3.074 20 0 GGADMN CN1CCN(c2ccc(CNc3ncc(Cl)cc3Br)cn2)CC1 ZINC000302826686 565559416 /nfs/dbraw/zinc/55/94/16/565559416.db2.gz MZPKNODBYKYDJJ-UHFFFAOYSA-N 0 1 396.720 3.256 20 0 GGADMN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000173487603 565561108 /nfs/dbraw/zinc/56/11/08/565561108.db2.gz PLGWULABMZJIRH-SECBINFHSA-N 0 1 377.198 3.233 20 0 GGADMN COCc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c1 ZINC000190841215 565562815 /nfs/dbraw/zinc/56/28/15/565562815.db2.gz CLXHGWGIDLWFAE-UHFFFAOYSA-N 0 1 377.853 3.473 20 0 GGADMN CN1CCN(CCNC(=O)c2ccccc2SCc2cccs2)CC1 ZINC000302906317 565563714 /nfs/dbraw/zinc/56/37/14/565563714.db2.gz AFBPBSYMLKDYCT-UHFFFAOYSA-N 0 1 375.563 3.018 20 0 GGADMN Cc1csc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1Br ZINC000278544806 565564397 /nfs/dbraw/zinc/56/43/97/565564397.db2.gz UHQQGWPKMBPAGO-GFCCVEGCSA-N 0 1 387.343 3.144 20 0 GGADMN Cc1ncc([C@@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)c(C)n1 ZINC000278551057 565565529 /nfs/dbraw/zinc/56/55/29/565565529.db2.gz VUIQCRJLHWJFCC-PXAZEXFGSA-N 0 1 389.297 3.312 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000392584289 565566260 /nfs/dbraw/zinc/56/62/60/565566260.db2.gz OFTKXKXFBSJWTE-LBPRGKRZSA-N 0 1 388.898 3.259 20 0 GGADMN O=C(NCCN1CC=CCC1)c1ccc(Br)cc1C(F)(F)F ZINC000392795171 565566913 /nfs/dbraw/zinc/56/69/13/565566913.db2.gz KJNJRBJYZNXUDI-UHFFFAOYSA-N 0 1 377.204 3.460 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ncc(Br)cc1F ZINC000278584877 565567119 /nfs/dbraw/zinc/56/71/19/565567119.db2.gz YLXQMFHKEQVZKJ-YPMHNXCESA-N 0 1 382.281 3.036 20 0 GGADMN Cc1csc(C(=O)N2CCC(CN3CCOCC3)CC2)c1Br ZINC000190890398 565567932 /nfs/dbraw/zinc/56/79/32/565567932.db2.gz VXEXVLIKUZYXEG-UHFFFAOYSA-N 0 1 387.343 3.003 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000278620076 565569696 /nfs/dbraw/zinc/56/96/96/565569696.db2.gz WZAFTXGPFMYDKG-QHCPKHFHSA-N 0 1 387.910 3.336 20 0 GGADMN C[C@H]1C[N@H+](Cc2c(Br)cncc2Br)CC[C@H]1C(=O)[O-] ZINC000394010808 565570046 /nfs/dbraw/zinc/57/00/46/565570046.db2.gz AJLYBJQBTGVZMO-DTWKUNHWSA-N 0 1 392.091 3.149 20 0 GGADMN C[C@H]1C[N@@H+](Cc2c(Br)cncc2Br)CC[C@H]1C(=O)[O-] ZINC000394010808 565570049 /nfs/dbraw/zinc/57/00/49/565570049.db2.gz AJLYBJQBTGVZMO-DTWKUNHWSA-N 0 1 392.091 3.149 20 0 GGADMN C[C@@H]1CCC[C@@]1(O)CNCc1c(Br)cncc1Br ZINC000394532655 565570913 /nfs/dbraw/zinc/57/09/13/565570913.db2.gz PPXVRRGCPNDCIF-NOZJJQNGSA-N 0 1 378.108 3.247 20 0 GGADMN CC(C)CN1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000303582068 565571151 /nfs/dbraw/zinc/57/11/51/565571151.db2.gz PFTBEHWOINLAPB-UHFFFAOYSA-N 0 1 385.331 3.334 20 0 GGADMN COc1cc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1Cl ZINC000278700814 565573046 /nfs/dbraw/zinc/57/30/46/565573046.db2.gz NKHKXLYXQVJDQY-UHFFFAOYSA-N 0 1 383.779 3.217 20 0 GGADMN CSc1cc(Br)ccc1CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000278698505 565573063 /nfs/dbraw/zinc/57/30/63/565573063.db2.gz NJNPQLHZBFAFDI-HOCLYGCPSA-N 0 1 396.354 3.112 20 0 GGADMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)cc1Br ZINC000173654627 565573471 /nfs/dbraw/zinc/57/34/71/565573471.db2.gz WVQKCMWSQXZFSW-BDAKNGLRSA-N 0 1 383.208 3.175 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000303715819 565573601 /nfs/dbraw/zinc/57/36/01/565573601.db2.gz AAKKKLIONCFIRS-SWLSCSKDSA-N 0 1 387.293 3.154 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccncc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000395953006 565573756 /nfs/dbraw/zinc/57/37/56/565573756.db2.gz PSKJIAHHYSDOPZ-HNNXBMFYSA-N 0 1 388.309 3.438 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000303683899 565573935 /nfs/dbraw/zinc/57/39/35/565573935.db2.gz ZKVQHNLEULMEIA-ZDUSSCGKSA-N 0 1 380.432 3.128 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc(Br)oc2C)N(C)C)c1 ZINC000396686472 565574221 /nfs/dbraw/zinc/57/42/21/565574221.db2.gz RDMULIIQTWOUGL-OAHLLOKOSA-N 0 1 381.270 3.392 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018716 565574608 /nfs/dbraw/zinc/57/46/08/565574608.db2.gz GDVQJHPYANZQKM-ZJUUUORDSA-N 0 1 389.677 3.226 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000397018716 565574612 /nfs/dbraw/zinc/57/46/12/565574612.db2.gz GDVQJHPYANZQKM-ZJUUUORDSA-N 0 1 389.677 3.226 20 0 GGADMN Brc1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000303821521 565575343 /nfs/dbraw/zinc/57/53/43/565575343.db2.gz NCIPEMXCHIITNN-UHFFFAOYSA-N 0 1 375.314 3.074 20 0 GGADMN CC1CCN(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000303832429 565575411 /nfs/dbraw/zinc/57/54/11/565575411.db2.gz OWUMBYIIUQLZEZ-UHFFFAOYSA-N 0 1 384.851 3.369 20 0 GGADMN CCn1ncnc1CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000278763332 565576666 /nfs/dbraw/zinc/57/66/66/565576666.db2.gz RXAHOSGIVOUYMM-UHFFFAOYSA-N 0 1 395.286 3.147 20 0 GGADMN CN(Cc1ncc(-c2ccccc2Br)o1)C1(CO)CCOCC1 ZINC000191014249 565577010 /nfs/dbraw/zinc/57/70/10/565577010.db2.gz VYQDZCCIRYSROF-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN O=C1[C@H](NCc2cc(Br)c(Cl)s2)CCN1CC(F)(F)F ZINC000191011626 565577627 /nfs/dbraw/zinc/57/76/27/565577627.db2.gz LLPWOZZLXIGABY-MRVPVSSYSA-N 0 1 391.640 3.417 20 0 GGADMN Cc1ccncc1CCCN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000278840961 565580758 /nfs/dbraw/zinc/58/07/58/565580758.db2.gz DFEDZZZBYQPSAW-QGZVFWFLSA-N 0 1 376.298 3.244 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)C3CC=CC3)cc2Br)CC1 ZINC000191094433 565582127 /nfs/dbraw/zinc/58/21/27/565582127.db2.gz DTASSYRGESZINH-UHFFFAOYSA-N 0 1 378.314 3.101 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1Br ZINC000278886414 565583241 /nfs/dbraw/zinc/58/32/41/565583241.db2.gz DBQYKOMWKNPPNS-UHFFFAOYSA-N 0 1 393.285 3.062 20 0 GGADMN CCNC(=O)C(C)(C)NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000312876796 565583373 /nfs/dbraw/zinc/58/33/73/565583373.db2.gz AYUJPIQDLWMDBR-UHFFFAOYSA-N 0 1 383.208 3.352 20 0 GGADMN Cn1cc(N2CCC[C@@H](N[C@@H]3CCSc4ccc(Cl)cc43)C2=O)cn1 ZINC000173765294 565583450 /nfs/dbraw/zinc/58/34/50/565583450.db2.gz NMRZHGOGROQLRW-HZPDHXFCSA-N 0 1 376.913 3.396 20 0 GGADMN Cn1ccc(N2CCC[C@@H](N[C@@H]3CCSc4ccc(Cl)cc43)C2=O)n1 ZINC000173765234 565583809 /nfs/dbraw/zinc/58/38/09/565583809.db2.gz AYGZFSUDUNCFJA-HUUCEWRRSA-N 0 1 376.913 3.396 20 0 GGADMN Cn1ccc(N2CCC[C@H](N[C@@H]3CCSc4ccc(Cl)cc43)C2=O)n1 ZINC000173765221 565583987 /nfs/dbraw/zinc/58/39/87/565583987.db2.gz AYGZFSUDUNCFJA-CABCVRRESA-N 0 1 376.913 3.396 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2I)CC[C@H]1C(=O)[O-] ZINC000405191382 565585242 /nfs/dbraw/zinc/58/52/42/565585242.db2.gz RMDMOLCYQRGMCB-BXKDBHETSA-N 0 1 393.652 3.487 20 0 GGADMN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1n[nH]c2ccc(Br)cc21 ZINC000173775703 565585358 /nfs/dbraw/zinc/58/53/58/565585358.db2.gz IOTVIKHEEFWQQD-LSDHHAIUSA-N 0 1 388.269 3.436 20 0 GGADMN C[C@H](Cn1ccnc1)NCc1cc(Cl)ccc1I ZINC000405223120 565585437 /nfs/dbraw/zinc/58/54/37/565585437.db2.gz RNCKGHZEZNDXDG-SNVBAGLBSA-N 0 1 375.641 3.319 20 0 GGADMN Cc1c(Br)cccc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278912535 565585318 /nfs/dbraw/zinc/58/53/18/565585318.db2.gz SZVUPHSTTGIQLA-CYBMUJFWSA-N 0 1 381.314 3.083 20 0 GGADMN C[C@@H](Cn1ccnc1)NCc1cc(Cl)ccc1I ZINC000405223115 565585520 /nfs/dbraw/zinc/58/55/20/565585520.db2.gz RNCKGHZEZNDXDG-JTQLQIEISA-N 0 1 375.641 3.319 20 0 GGADMN OCCCSCCNCc1cc(Cl)ccc1I ZINC000405292832 565585964 /nfs/dbraw/zinc/58/59/64/565585964.db2.gz IUHPLNNTKJNXPG-UHFFFAOYSA-N 0 1 385.698 3.150 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nc(-c3cccc(Br)c3)no1)CC2 ZINC000405364027 565586890 /nfs/dbraw/zinc/58/68/90/565586890.db2.gz RQDVXQHZCLDVQJ-ZDUSSCGKSA-N 0 1 392.253 3.186 20 0 GGADMN COc1ccc(Br)cc1C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315003754 565588380 /nfs/dbraw/zinc/58/83/80/565588380.db2.gz IJZFXLPLQXCZEY-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(Br)cc1C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315003754 565588384 /nfs/dbraw/zinc/58/83/84/565588384.db2.gz IJZFXLPLQXCZEY-CYBMUJFWSA-N 0 1 382.176 3.297 20 0 GGADMN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cncc(Br)c1 ZINC000314959588 565588894 /nfs/dbraw/zinc/58/88/94/565588894.db2.gz OFLOCXAYFSPEFL-UHFFFAOYSA-N 0 1 379.239 3.035 20 0 GGADMN COc1ccc(Br)cc1C[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315003755 565588921 /nfs/dbraw/zinc/58/89/21/565588921.db2.gz IJZFXLPLQXCZEY-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN COc1ccc(Br)cc1C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000315003755 565588927 /nfs/dbraw/zinc/58/89/27/565588927.db2.gz IJZFXLPLQXCZEY-ZDUSSCGKSA-N 0 1 382.176 3.297 20 0 GGADMN O=S(=O)(Nc1cccc(-c2cc[nH]n2)c1)c1cncc(Br)c1 ZINC000315335637 565590187 /nfs/dbraw/zinc/59/01/87/565590187.db2.gz MZBQXTWFPLFNST-UHFFFAOYSA-N 0 1 379.239 3.035 20 0 GGADMN [O-]c1cccc(C[NH2+]CCCn2cc(Br)cn2)c1Br ZINC000315767312 565590517 /nfs/dbraw/zinc/59/05/17/565590517.db2.gz UQWUQQLOUYTRHY-UHFFFAOYSA-N 0 1 389.091 3.294 20 0 GGADMN C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279031501 565590747 /nfs/dbraw/zinc/59/07/47/565590747.db2.gz DMQSNBQMSSSXOI-UKRRQHHQSA-N 0 1 390.307 3.003 20 0 GGADMN CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000408021597 565590829 /nfs/dbraw/zinc/59/08/29/565590829.db2.gz IQPVJGKMDIECQT-SECBINFHSA-N 0 1 375.650 3.005 20 0 GGADMN CC(=O)N1CCC(C(=O)Nc2cc(Br)cc(Cl)c2O)CC1 ZINC000408020827 565591108 /nfs/dbraw/zinc/59/11/08/565591108.db2.gz DSSALQBKUKXNBQ-UHFFFAOYSA-N 0 1 375.650 3.005 20 0 GGADMN C[C@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC2(CCOCC2)O1 ZINC000279031504 565591214 /nfs/dbraw/zinc/59/12/14/565591214.db2.gz DMQSNBQMSSSXOI-ZFWWWQNUSA-N 0 1 390.307 3.003 20 0 GGADMN O=C(CCNCc1cc(Cl)ccc1Br)NCc1cccnc1 ZINC000173834859 565591179 /nfs/dbraw/zinc/59/11/79/565591179.db2.gz RTNAPZTUHKXNQO-UHFFFAOYSA-N 0 1 382.689 3.294 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000191280340 565593544 /nfs/dbraw/zinc/59/35/44/565593544.db2.gz XTHMCTOPOFKUQW-LLVKDONJSA-N 0 1 390.311 3.311 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000191280340 565593550 /nfs/dbraw/zinc/59/35/50/565593550.db2.gz XTHMCTOPOFKUQW-LLVKDONJSA-N 0 1 390.311 3.311 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000191280414 565593654 /nfs/dbraw/zinc/59/36/54/565593654.db2.gz JQGJJGYOQFJCKF-LLVKDONJSA-N 0 1 390.311 3.311 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000191280414 565593659 /nfs/dbraw/zinc/59/36/59/565593659.db2.gz JQGJJGYOQFJCKF-LLVKDONJSA-N 0 1 390.311 3.311 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1Br ZINC000279083261 565594518 /nfs/dbraw/zinc/59/45/18/565594518.db2.gz RHQMOYFWVXRNKD-UHFFFAOYSA-N 0 1 397.220 3.482 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(C(F)(F)F)ccc1Br ZINC000317629743 565595206 /nfs/dbraw/zinc/59/52/06/565595206.db2.gz WFLUMMRIZRGRKB-SNVBAGLBSA-N 0 1 377.204 3.434 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000318678844 565596499 /nfs/dbraw/zinc/59/64/99/565596499.db2.gz FJBNAGCOFWHYAG-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN COC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000279119351 565596410 /nfs/dbraw/zinc/59/64/10/565596410.db2.gz ULOGGOYXYUACGY-CHWSQXEVSA-N 0 1 381.687 3.369 20 0 GGADMN COC[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000279119356 565596889 /nfs/dbraw/zinc/59/68/89/565596889.db2.gz ULOGGOYXYUACGY-QWHCGFSZSA-N 0 1 381.687 3.369 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3OC)C2)c1Br ZINC000279140922 565597758 /nfs/dbraw/zinc/59/77/58/565597758.db2.gz YCVRICDPZJGDTK-NSHDSACASA-N 0 1 378.270 3.373 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n[nH]1 ZINC000408177063 565598222 /nfs/dbraw/zinc/59/82/22/565598222.db2.gz ILJXVDYSSMJLNR-UHFFFAOYSA-N 0 1 384.299 3.049 20 0 GGADMN Cn1ccnc1[C@](O)(CCNCc1ncc(C(C)(C)C)s1)C(F)(F)F ZINC000279156744 565598265 /nfs/dbraw/zinc/59/82/65/565598265.db2.gz PJRSFTXGAJWRMM-OAHLLOKOSA-N 0 1 376.448 3.104 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000279149510 565598307 /nfs/dbraw/zinc/59/83/07/565598307.db2.gz ZOKVCALTRXMTHB-UHFFFAOYSA-N 0 1 387.841 3.175 20 0 GGADMN O=C1NCCCC[C@H]1NCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000319251872 565598436 /nfs/dbraw/zinc/59/84/36/565598436.db2.gz YHCKXDRPFNEHGP-LLVKDONJSA-N 0 1 381.192 3.106 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000279168138 565599148 /nfs/dbraw/zinc/59/91/48/565599148.db2.gz QMPJUNXTMKYVBN-ZIAGYGMSSA-N 0 1 380.491 3.093 20 0 GGADMN Cc1nn(C)c(CNCCc2ccn(-c3ccc(F)cc3)n2)c1Br ZINC000279189825 565600322 /nfs/dbraw/zinc/60/03/22/565600322.db2.gz SXBKGNSGKWEIBX-UHFFFAOYSA-N 0 1 392.276 3.148 20 0 GGADMN CCC1(CC)[C@@H](NCc2nnnn2-c2ccccc2Br)C[C@@H]1OC ZINC000191375797 565600656 /nfs/dbraw/zinc/60/06/56/565600656.db2.gz ZIQJLMYYIAHKBB-GJZGRUSLSA-N 0 1 394.317 3.108 20 0 GGADMN Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3Br)c2)n[nH]1 ZINC000320183165 565600679 /nfs/dbraw/zinc/60/06/79/565600679.db2.gz FFHLXYLLXANUBH-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN Cc1cc(C2CCN(S(=O)(=O)c3cc(C)ccc3Br)CC2)n[nH]1 ZINC000408222726 565600803 /nfs/dbraw/zinc/60/08/03/565600803.db2.gz FQAPLNMEGZSOJQ-UHFFFAOYSA-N 0 1 398.326 3.357 20 0 GGADMN O=S(=O)(NCCc1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC000320349852 565602178 /nfs/dbraw/zinc/60/21/78/565602178.db2.gz KHBQWTOIBLXYTE-UHFFFAOYSA-N 0 1 394.212 3.387 20 0 GGADMN Cc1nn(C)c(CNC[C@@H](O)c2ccc(Cl)c(F)c2)c1Br ZINC000279224296 565603096 /nfs/dbraw/zinc/60/30/96/565603096.db2.gz XSDZAGKGBGWFJB-CYBMUJFWSA-N 0 1 376.657 3.107 20 0 GGADMN COc1ccc(CCCN[C@@H](C(N)=O)c2ccc(Br)cc2F)cc1 ZINC000173984257 565604171 /nfs/dbraw/zinc/60/41/71/565604171.db2.gz RBZJDJPIJSUQEF-QGZVFWFLSA-N 0 1 395.272 3.346 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCCc3ccc(Cl)s3)c2)CC1 ZINC000173998430 565605060 /nfs/dbraw/zinc/60/50/60/565605060.db2.gz LFTHJXFVVNANCM-UHFFFAOYSA-N 0 1 377.941 3.121 20 0 GGADMN CC(C)C[C@]1(CO)CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000191479471 565606779 /nfs/dbraw/zinc/60/67/79/565606779.db2.gz NOFVUZJICXOYGU-KRWDZBQOSA-N 0 1 380.286 3.339 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000191479487 565606828 /nfs/dbraw/zinc/60/68/28/565606828.db2.gz NOFVUZJICXOYGU-QGZVFWFLSA-N 0 1 380.286 3.339 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ncc(I)cc2C)c1 ZINC000174030679 565607546 /nfs/dbraw/zinc/60/75/46/565607546.db2.gz APKFHKSKLFDCFJ-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN Cc1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000321931350 565607805 /nfs/dbraw/zinc/60/78/05/565607805.db2.gz KXAPUBXZKRQEFH-OAHLLOKOSA-N 0 1 381.314 3.084 20 0 GGADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000322299266 565608981 /nfs/dbraw/zinc/60/89/81/565608981.db2.gz UPATXJIKKCKPDW-UHFFFAOYSA-N 0 1 378.237 3.002 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)c2nnnn2C2CC2)n1 ZINC000191521627 565610138 /nfs/dbraw/zinc/61/01/38/565610138.db2.gz WCMTWIPSJNPPBK-MRVPVSSYSA-N 0 1 377.861 3.308 20 0 GGADMN CCOC(=O)CCC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000191528669 565610189 /nfs/dbraw/zinc/61/01/89/565610189.db2.gz HAOVPRHPOZVNQX-UHFFFAOYSA-N 0 1 398.282 3.239 20 0 GGADMN CCN1CCCC[C@H]1CNC(=O)c1scc(C)c1I ZINC000191540298 565611527 /nfs/dbraw/zinc/61/15/27/565611527.db2.gz CJVNGXPPHHGESJ-NSHDSACASA-N 0 1 392.306 3.265 20 0 GGADMN COc1ccc(Br)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000322926786 565611696 /nfs/dbraw/zinc/61/16/96/565611696.db2.gz JKCDUQZZOSJHMW-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(Br)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000322926786 565611701 /nfs/dbraw/zinc/61/17/01/565611701.db2.gz JKCDUQZZOSJHMW-KRWDZBQOSA-N 0 1 376.250 3.469 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000174111266 565614641 /nfs/dbraw/zinc/61/46/41/565614641.db2.gz CGQFRGQNGQSTFE-KBPBESRZSA-N 0 1 389.323 3.156 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)CC[C@@H]1C(=O)[O-] ZINC000323682820 565615082 /nfs/dbraw/zinc/61/50/82/565615082.db2.gz QDUSQZRVHOWANX-GWCFXTLKSA-N 0 1 380.242 3.042 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303008 565617444 /nfs/dbraw/zinc/61/74/44/565617444.db2.gz WOBUJCRMWUHCKB-CZUORRHYSA-N 0 1 397.313 3.346 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2nc(C(C)C)c(C)s2)c1 ZINC000279534701 565617864 /nfs/dbraw/zinc/61/78/64/565617864.db2.gz SOZBANOYRLLISR-UHFFFAOYSA-N 0 1 382.507 3.255 20 0 GGADMN COC(=O)CCN(Cc1cn(C)nc1C)Cc1cccc(Br)c1 ZINC000191630884 565618173 /nfs/dbraw/zinc/61/81/73/565618173.db2.gz LWJVHNWAWYHQTN-UHFFFAOYSA-N 0 1 380.286 3.056 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-])c1ccc(Br)cc1 ZINC000324303006 565618168 /nfs/dbraw/zinc/61/81/68/565618168.db2.gz WOBUJCRMWUHCKB-BBRMVZONSA-N 0 1 397.313 3.346 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1NCCc2ccccc21 ZINC000324629202 565618943 /nfs/dbraw/zinc/61/89/43/565618943.db2.gz UDKNYISESWGJNF-GOSISDBHSA-N 0 1 389.293 3.303 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000324629203 565619131 /nfs/dbraw/zinc/61/91/31/565619131.db2.gz UDKNYISESWGJNF-SFHVURJKSA-N 0 1 389.293 3.303 20 0 GGADMN CC(C)Oc1ncccc1CNC[C@H](O)COc1ccc(Br)cc1 ZINC000324736472 565619395 /nfs/dbraw/zinc/61/93/95/565619395.db2.gz KSADPCHPTRGHHG-INIZCTEOSA-N 0 1 395.297 3.161 20 0 GGADMN O[C@@H](COc1ccc(Br)cc1)CN1CCC(C(F)(F)F)CC1 ZINC000174184466 565619741 /nfs/dbraw/zinc/61/97/41/565619741.db2.gz PCZYMZZXSFPENV-CYBMUJFWSA-N 0 1 382.220 3.463 20 0 GGADMN Cc1nnc(SCC(=O)NCC2(c3cccc(Br)c3)CCC2)[nH]1 ZINC000174204912 565619875 /nfs/dbraw/zinc/61/98/75/565619875.db2.gz VAWIXSOXLSGRNX-UHFFFAOYSA-N 0 1 395.326 3.206 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCC2(c3cccc(Br)c3)CCC2)n1 ZINC000174204912 565619882 /nfs/dbraw/zinc/61/98/82/565619882.db2.gz VAWIXSOXLSGRNX-UHFFFAOYSA-N 0 1 395.326 3.206 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174184138 565620174 /nfs/dbraw/zinc/62/01/74/565620174.db2.gz XNKDBFKJHKVMHP-LSDHHAIUSA-N 0 1 385.335 3.353 20 0 GGADMN COC[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191677110 565620739 /nfs/dbraw/zinc/62/07/39/565620739.db2.gz XEJDDUYDXFMZMW-HNNXBMFYSA-N 0 1 383.330 3.144 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000174212909 565621615 /nfs/dbraw/zinc/62/16/15/565621615.db2.gz PIBAMOAFPVLYGA-BMFZPTHFSA-N 0 1 383.319 3.278 20 0 GGADMN CCC1(CO)CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191692332 565622305 /nfs/dbraw/zinc/62/23/05/565622305.db2.gz AHDXHVFYLQAPAT-UHFFFAOYSA-N 0 1 397.357 3.270 20 0 GGADMN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2C1 ZINC000409538373 565623671 /nfs/dbraw/zinc/62/36/71/565623671.db2.gz WUYNGSUQNCWWQS-NSHDSACASA-N 0 1 380.491 3.230 20 0 GGADMN C[C@@H]1[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCS1(=O)=O ZINC000326467643 565623976 /nfs/dbraw/zinc/62/39/76/565623976.db2.gz MAIHHCBJHBFEKF-PRHODGIISA-N 0 1 375.334 3.389 20 0 GGADMN COc1cc(Br)c(S(=O)(=O)Nc2ccsc2)cc1OC ZINC000174254135 565624529 /nfs/dbraw/zinc/62/45/29/565624529.db2.gz BJMIKOAQNQIBOW-UHFFFAOYSA-N 0 1 378.269 3.329 20 0 GGADMN Cc1ccc(O[C@H](C)CN[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174261438 565624594 /nfs/dbraw/zinc/62/45/94/565624594.db2.gz XMFQWBGRVWUCEP-CXAGYDPISA-N 0 1 377.282 3.341 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000326525540 565624617 /nfs/dbraw/zinc/62/46/17/565624617.db2.gz FVFVXYNOIXUUFH-OAHLLOKOSA-N 0 1 395.670 3.008 20 0 GGADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000326525540 565624625 /nfs/dbraw/zinc/62/46/25/565624625.db2.gz FVFVXYNOIXUUFH-OAHLLOKOSA-N 0 1 395.670 3.008 20 0 GGADMN CCCN1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000409560912 565624961 /nfs/dbraw/zinc/62/49/61/565624961.db2.gz IFMYIVBHTZVRCA-PKOBYXMFSA-N 0 1 377.326 3.207 20 0 GGADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000174251878 565625017 /nfs/dbraw/zinc/62/50/17/565625017.db2.gz YYOUJQUZTPLVDQ-ZBEGNZNMSA-N 0 1 381.245 3.172 20 0 GGADMN Cc1nnc(SCC(=O)NC2(c3cccc(Br)c3)CCC2)[nH]1 ZINC000174254149 565625113 /nfs/dbraw/zinc/62/51/13/565625113.db2.gz LUJMHJNJLZCFJP-UHFFFAOYSA-N 0 1 381.299 3.163 20 0 GGADMN Cc1n[nH]c(SCC(=O)NC2(c3cccc(Br)c3)CCC2)n1 ZINC000174254149 565625115 /nfs/dbraw/zinc/62/51/15/565625115.db2.gz LUJMHJNJLZCFJP-UHFFFAOYSA-N 0 1 381.299 3.163 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)Oc1ccc(F)cc1 ZINC000174264473 565626155 /nfs/dbraw/zinc/62/61/55/565626155.db2.gz GODBFZMEKNGXKN-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN COc1ccccc1O[C@@H](C)CN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174271343 565626319 /nfs/dbraw/zinc/62/63/19/565626319.db2.gz JNNJYPQZOVPGPP-YVEFUNNKSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccc(O[C@H](C)CN[C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000174268494 565626326 /nfs/dbraw/zinc/62/63/26/565626326.db2.gz PGAAFMIJEZUZDB-PXAZEXFGSA-N 0 1 393.281 3.041 20 0 GGADMN NC(=O)CCNc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000174267870 565626360 /nfs/dbraw/zinc/62/63/60/565626360.db2.gz LZUFDHAGQWYYRI-UHFFFAOYSA-N 0 1 388.276 3.082 20 0 GGADMN CCOc1cc(CN[C@@H](C)C(=O)N(C)C)cc(Br)c1OC(F)F ZINC000191736127 565626463 /nfs/dbraw/zinc/62/64/63/565626463.db2.gz VEHHASQVPWSEBC-VIFPVBQESA-N 0 1 395.244 3.016 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)NCCN3CCC[C@H](C)C3)c2)n1 ZINC000409594899 565626907 /nfs/dbraw/zinc/62/69/07/565626907.db2.gz JPTRDNHCWFHJFN-AWEZNQCLSA-N 0 1 379.551 3.129 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H](C)Cc2cccc(Br)c2)[nH]1 ZINC000174286060 565627165 /nfs/dbraw/zinc/62/71/65/565627165.db2.gz UZBMCVYKFCRGRO-JTQLQIEISA-N 0 1 383.315 3.105 20 0 GGADMN C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689011 565627178 /nfs/dbraw/zinc/62/71/78/565627178.db2.gz GANMEUTUJCEIMV-ZFWWWQNUSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC2(CCOCC2)O1 ZINC000279689011 565627184 /nfs/dbraw/zinc/62/71/84/565627184.db2.gz GANMEUTUJCEIMV-ZFWWWQNUSA-N 0 1 390.307 3.003 20 0 GGADMN O=C(CCNCc1ccc(Br)cc1Cl)NCc1cccnc1 ZINC000174312096 565628162 /nfs/dbraw/zinc/62/81/62/565628162.db2.gz SWLHGYCVQSBEEX-UHFFFAOYSA-N 0 1 382.689 3.294 20 0 GGADMN COC(=O)CCN(Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000327217335 565628325 /nfs/dbraw/zinc/62/83/25/565628325.db2.gz LGFXCTRUPQPIGL-AWEZNQCLSA-N 0 1 377.815 3.486 20 0 GGADMN C=CCN(CCOC)Cc1cc(Br)cc(Br)c1N ZINC000191763418 565629274 /nfs/dbraw/zinc/62/92/74/565629274.db2.gz KSRDCLWJIAPLDS-UHFFFAOYSA-N 0 1 378.108 3.428 20 0 GGADMN CCO[C@@H]1C[C@@H](N[C@H](C(N)=O)c2ccc(Br)cc2)C12CCCC2 ZINC000174323119 565629589 /nfs/dbraw/zinc/62/95/89/565629589.db2.gz MCKZVTLOZVXJID-OAGGEKHMSA-N 0 1 381.314 3.303 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000174325695 565629742 /nfs/dbraw/zinc/62/97/42/565629742.db2.gz YXNGFPPLGZRERZ-UHFFFAOYSA-N 0 1 390.839 3.359 20 0 GGADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)cc1 ZINC000174327691 565629974 /nfs/dbraw/zinc/62/99/74/565629974.db2.gz BPKSUNHWEUUNSW-UHFFFAOYSA-N 0 1 398.282 3.302 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000327532658 565630687 /nfs/dbraw/zinc/63/06/87/565630687.db2.gz YEZYOIKQFNRLKC-OAHLLOKOSA-N 0 1 379.762 3.340 20 0 GGADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000327532658 565630691 /nfs/dbraw/zinc/63/06/91/565630691.db2.gz YEZYOIKQFNRLKC-OAHLLOKOSA-N 0 1 379.762 3.340 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000327391800 565630823 /nfs/dbraw/zinc/63/08/23/565630823.db2.gz YIFJXTMCZOUDQY-AWEZNQCLSA-N 0 1 375.734 3.229 20 0 GGADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000327391800 565630825 /nfs/dbraw/zinc/63/08/25/565630825.db2.gz YIFJXTMCZOUDQY-AWEZNQCLSA-N 0 1 375.734 3.229 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)c1C ZINC000327630661 565631975 /nfs/dbraw/zinc/63/19/75/565631975.db2.gz PNQAIQMFZXFXLU-UHFFFAOYSA-N 0 1 386.857 3.271 20 0 GGADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(Br)cs2)c1 ZINC000279806404 565634008 /nfs/dbraw/zinc/63/40/08/565634008.db2.gz WVBMQAJVZINBSR-JTQLQIEISA-N 0 1 389.340 3.270 20 0 GGADMN COC(=O)c1ccc(CN[C@@H]2COc3ccccc3C2)c(Br)c1 ZINC000328251063 565634212 /nfs/dbraw/zinc/63/42/12/565634212.db2.gz SOEJIGUBSMXDII-HNNXBMFYSA-N 0 1 376.250 3.329 20 0 GGADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)C(=O)N(C)C ZINC000191805740 565634292 /nfs/dbraw/zinc/63/42/92/565634292.db2.gz UENINZGOPKZYNC-ZDUSSCGKSA-N 0 1 393.329 3.325 20 0 GGADMN C[C@@H](NCCS(=O)(=O)N(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000328018594 565634805 /nfs/dbraw/zinc/63/48/05/565634805.db2.gz IUGJKOCPCGAYLM-SECBINFHSA-N 0 1 392.365 3.266 20 0 GGADMN CC(C)c1n[nH]c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1Br ZINC000174455183 565636783 /nfs/dbraw/zinc/63/67/83/565636783.db2.gz DRQKIYKELYBGKF-UHFFFAOYSA-N 0 1 380.221 3.241 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(I)cc1 ZINC000174451772 565637239 /nfs/dbraw/zinc/63/72/39/565637239.db2.gz CEGCYMSZROYOPL-UHFFFAOYSA-N 0 1 395.175 3.237 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409724695 565637509 /nfs/dbraw/zinc/63/75/09/565637509.db2.gz YKCMCZLMZSSGSK-HBFSDRIKSA-N 0 1 391.353 3.452 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409724699 565637923 /nfs/dbraw/zinc/63/79/23/565637923.db2.gz YKCMCZLMZSSGSK-WSTZPKSXSA-N 0 1 391.353 3.452 20 0 GGADMN Cc1nc(S(=O)(=O)NCC2CCC(F)(F)CC2)sc1Br ZINC000328685316 565638089 /nfs/dbraw/zinc/63/80/89/565638089.db2.gz XGZKKINASQWDQV-UHFFFAOYSA-N 0 1 389.287 3.318 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c1 ZINC000191878226 565639281 /nfs/dbraw/zinc/63/92/81/565639281.db2.gz MSSNPSGMENNITM-UHFFFAOYSA-N 0 1 394.241 3.381 20 0 GGADMN O=S1(=O)CCC(O)(CN2CCCCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000328747377 565640755 /nfs/dbraw/zinc/64/07/55/565640755.db2.gz AVWCAFVTUOMIQD-KRWDZBQOSA-N 0 1 385.957 3.067 20 0 GGADMN O=C(COc1ccc(Br)cc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174505077 565641030 /nfs/dbraw/zinc/64/10/30/565641030.db2.gz BFHYGNZIAHBEHK-UHFFFAOYSA-N 0 1 392.228 3.202 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000328803166 565642089 /nfs/dbraw/zinc/64/20/89/565642089.db2.gz GZBFMPOIBWNXCD-DYVFJYSZSA-N 0 1 390.281 3.480 20 0 GGADMN Cc1csc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000174601506 565645373 /nfs/dbraw/zinc/64/53/73/565645373.db2.gz KGKAZTNNHHPQIR-UHFFFAOYSA-N 0 1 385.580 3.020 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCN1CCCCC1 ZINC000174602142 565645455 /nfs/dbraw/zinc/64/54/55/565645455.db2.gz FSWXYLGOCICYME-UHFFFAOYSA-N 0 1 383.945 3.381 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)c2cncc(Cl)c2)[C@H]1c1cccs1 ZINC000328876226 565646075 /nfs/dbraw/zinc/64/60/75/565646075.db2.gz ZRKOZHPPMSQQKB-WBMJQRKESA-N 0 1 385.942 3.158 20 0 GGADMN Cc1nnc(SCCC(=O)NCCc2ccc(-c3csc(C)n3)s2)[nH]1 ZINC000174610212 565647155 /nfs/dbraw/zinc/64/71/55/565647155.db2.gz VDVBREMTJSTHEN-UHFFFAOYSA-N 0 1 393.563 3.448 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000328957789 565647897 /nfs/dbraw/zinc/64/78/97/565647897.db2.gz PLKVXVNIPMOUNK-MLGOLLRUSA-N 0 1 375.270 3.036 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000328957789 565647898 /nfs/dbraw/zinc/64/78/98/565647898.db2.gz PLKVXVNIPMOUNK-MLGOLLRUSA-N 0 1 375.270 3.036 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000191998492 565648175 /nfs/dbraw/zinc/64/81/75/565648175.db2.gz MXUHMBUZSOLUCH-CQSZACIVSA-N 0 1 385.295 3.012 20 0 GGADMN C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)[C@H]2C1 ZINC000409913288 565648788 /nfs/dbraw/zinc/64/87/88/565648788.db2.gz SCOQEDOYYDVFIW-VYVMZURQSA-N 0 1 389.337 3.206 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)c(Br)c1 ZINC000174648674 565649207 /nfs/dbraw/zinc/64/92/07/565649207.db2.gz PLNLQAFFQYCILY-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN COc1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2)c(OC)c1 ZINC000174652439 565650175 /nfs/dbraw/zinc/65/01/75/565650175.db2.gz MYXPXPZSRCCFOH-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000192004712 565650203 /nfs/dbraw/zinc/65/02/03/565650203.db2.gz NJQONFFOXOOKAM-AWEZNQCLSA-N 0 1 375.296 3.243 20 0 GGADMN Cc1nc(CCN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cs1 ZINC000280067990 565650342 /nfs/dbraw/zinc/65/03/42/565650342.db2.gz KXGLPROXZMKFMH-QMMMGPOBSA-N 0 1 394.349 3.299 20 0 GGADMN Cc1nc(CCN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cs1 ZINC000280067985 565650903 /nfs/dbraw/zinc/65/09/03/565650903.db2.gz KXGLPROXZMKFMH-MRVPVSSYSA-N 0 1 394.349 3.299 20 0 GGADMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000329026377 565651012 /nfs/dbraw/zinc/65/10/12/565651012.db2.gz JULVNQGIUSGWNA-CABZTGNLSA-N 0 1 381.299 3.097 20 0 GGADMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000329026377 565651018 /nfs/dbraw/zinc/65/10/18/565651018.db2.gz JULVNQGIUSGWNA-CABZTGNLSA-N 0 1 381.299 3.097 20 0 GGADMN CC1=CCN(CCNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000409947111 565651146 /nfs/dbraw/zinc/65/11/46/565651146.db2.gz KQOUFSMULDJIIY-UYAOXDASSA-N 0 1 389.337 3.421 20 0 GGADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000329026379 565651176 /nfs/dbraw/zinc/65/11/76/565651176.db2.gz JULVNQGIUSGWNA-SKDRFNHKSA-N 0 1 381.299 3.097 20 0 GGADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000329026379 565651178 /nfs/dbraw/zinc/65/11/78/565651178.db2.gz JULVNQGIUSGWNA-SKDRFNHKSA-N 0 1 381.299 3.097 20 0 GGADMN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000329032730 565651317 /nfs/dbraw/zinc/65/13/17/565651317.db2.gz QEHAIENRWGFTKX-LLVKDONJSA-N 0 1 384.864 3.043 20 0 GGADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000329055838 565652292 /nfs/dbraw/zinc/65/22/92/565652292.db2.gz XULUWBXYMPBADA-BLTAXRJOSA-N 0 1 381.263 3.204 20 0 GGADMN CCOC(CCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OCC ZINC000280134116 565654232 /nfs/dbraw/zinc/65/42/32/565654232.db2.gz PFFHMGBQHBHFKM-JTQLQIEISA-N 0 1 399.340 3.081 20 0 GGADMN O=S(=O)(Nc1ccsc1)c1cc2c(cc1Br)OCCO2 ZINC000174734367 565655278 /nfs/dbraw/zinc/65/52/78/565655278.db2.gz KVDNQUWOAIBYAW-UHFFFAOYSA-N 0 1 376.253 3.083 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(Br)c1F ZINC000192080008 565656437 /nfs/dbraw/zinc/65/64/37/565656437.db2.gz HOZMFTOZZKOOJC-UHFFFAOYSA-N 0 1 392.272 3.378 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)sc1Br ZINC000329159537 565657158 /nfs/dbraw/zinc/65/71/58/565657158.db2.gz XPIZNINZHIWWIH-VHSXEESVSA-N 0 1 397.360 3.086 20 0 GGADMN O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174766761 565657460 /nfs/dbraw/zinc/65/74/60/565657460.db2.gz JVALEGQTENMBOS-INIZCTEOSA-N 0 1 390.281 3.131 20 0 GGADMN O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174766761 565657462 /nfs/dbraw/zinc/65/74/62/565657462.db2.gz JVALEGQTENMBOS-INIZCTEOSA-N 0 1 390.281 3.131 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192091974 565657507 /nfs/dbraw/zinc/65/75/07/565657507.db2.gz DGAVFSLYRKBRTE-MSOLQXFVSA-N 0 1 383.872 3.373 20 0 GGADMN O=C1[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCN1CC(F)(F)F ZINC000192096359 565657622 /nfs/dbraw/zinc/65/76/22/565657622.db2.gz LXYUHGLDLDLBKE-BFHYXJOUSA-N 0 1 380.769 3.062 20 0 GGADMN COCCOC1CCC(C(=O)Nc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000280199908 565657686 /nfs/dbraw/zinc/65/76/86/565657686.db2.gz QOFKKQWBTNYTFO-UHFFFAOYSA-N 0 1 396.285 3.486 20 0 GGADMN O=S(=O)(CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192091962 565658005 /nfs/dbraw/zinc/65/80/05/565658005.db2.gz DGAVFSLYRKBRTE-QZTJIDSGSA-N 0 1 383.872 3.373 20 0 GGADMN O=C(NCCN1CC=CCC1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000410016138 565658425 /nfs/dbraw/zinc/65/84/25/565658425.db2.gz QQGPCNPNNAZYNV-IEBWSBKVSA-N 0 1 375.310 3.031 20 0 GGADMN CC(C)[C@H](O)C1(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280203603 565658603 /nfs/dbraw/zinc/65/86/03/565658603.db2.gz SXBKGXJSYXCSJU-BMIGLBTASA-N 0 1 395.352 3.089 20 0 GGADMN CSc1ccccc1NC(=O)CCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174789887 565659873 /nfs/dbraw/zinc/65/98/73/565659873.db2.gz COUOKGBNJZCVSO-WBVHZDCISA-N 0 1 384.567 3.025 20 0 GGADMN CCc1c(NC(=O)CSc2nnc(C)[nH]2)cnn1-c1ccccc1Cl ZINC000192120602 565660057 /nfs/dbraw/zinc/66/00/57/565660057.db2.gz JBGPCGHDNIGESV-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN CCc1c(NC(=O)CSc2nc(C)n[nH]2)cnn1-c1ccccc1Cl ZINC000192120602 565660059 /nfs/dbraw/zinc/66/00/59/565660059.db2.gz JBGPCGHDNIGESV-UHFFFAOYSA-N 0 1 376.873 3.245 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N4CCCC4)[C@H]3C)s2)cs1 ZINC000329243051 565660770 /nfs/dbraw/zinc/66/07/70/565660770.db2.gz SQGFIUZOUURBIF-IUODEOHRSA-N 0 1 397.591 3.427 20 0 GGADMN CC[C@@H](NCc1cccc(OC)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280251452 565661435 /nfs/dbraw/zinc/66/14/35/565661435.db2.gz IYTMOGTYFOCMSM-QGZVFWFLSA-N 0 1 382.913 3.498 20 0 GGADMN O=S(=O)(NCC(F)(F)C(F)F)c1ccc(Br)cc1Cl ZINC000192136393 565662153 /nfs/dbraw/zinc/66/21/53/565662153.db2.gz WWSZJWOYDSVYKL-UHFFFAOYSA-N 0 1 384.576 3.281 20 0 GGADMN CSCCONC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000280270042 565662487 /nfs/dbraw/zinc/66/24/87/565662487.db2.gz LWJNAWVXBHFYRJ-IUODEOHRSA-N 0 1 375.897 3.066 20 0 GGADMN CCC(O)(CC)CCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280267315 565662724 /nfs/dbraw/zinc/66/27/24/565662724.db2.gz XOQZRPWGXXNLDD-JTQLQIEISA-N 0 1 383.341 3.233 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000329328055 565662985 /nfs/dbraw/zinc/66/29/85/565662985.db2.gz KHHYOICCJOUJPQ-RDJZCZTQSA-N 0 1 376.254 3.109 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000329328054 565662999 /nfs/dbraw/zinc/66/29/99/565662999.db2.gz KHHYOICCJOUJPQ-NVXWUHKLSA-N 0 1 376.254 3.109 20 0 GGADMN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192146631 565663131 /nfs/dbraw/zinc/66/31/31/565663131.db2.gz AILPHNSGDWJQNQ-CQSZACIVSA-N 0 1 384.929 3.463 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000329328053 565663167 /nfs/dbraw/zinc/66/31/67/565663167.db2.gz KHHYOICCJOUJPQ-DOTOQJQBSA-N 0 1 376.254 3.109 20 0 GGADMN CC1=C(Br)CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000280295297 565663845 /nfs/dbraw/zinc/66/38/45/565663845.db2.gz APDDPDDPXFTOQL-UHFFFAOYSA-N 0 1 393.329 3.130 20 0 GGADMN CC(C)[C@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CCN1C ZINC000410101908 565664250 /nfs/dbraw/zinc/66/42/50/565664250.db2.gz VXGNPXTZCOMTOD-JKSUJKDBSA-N 0 1 396.329 3.254 20 0 GGADMN Cc1c2cccc(Br)c2oc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329354741 565664290 /nfs/dbraw/zinc/66/42/90/565664290.db2.gz VNICBPMBRUQEEZ-UHFFFAOYSA-N 0 1 375.226 3.431 20 0 GGADMN C[C@H]1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CCS1 ZINC000192177252 565665568 /nfs/dbraw/zinc/66/55/68/565665568.db2.gz MUUOLQXRFMMJBW-ZDUSSCGKSA-N 0 1 376.444 3.071 20 0 GGADMN O=C(CNC(=O)Cc1ccccc1)Nc1cc(Cl)cc(Br)c1O ZINC000174913735 565665735 /nfs/dbraw/zinc/66/57/35/565665735.db2.gz VOTNSPCNLKEOIP-UHFFFAOYSA-N 0 1 397.656 3.106 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC000329429500 565666179 /nfs/dbraw/zinc/66/61/79/565666179.db2.gz HVSUFUSVLVULNN-OIRASMEMSA-N 0 1 387.336 3.407 20 0 GGADMN Cc1nnc([C@@H]2CCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)[nH]1 ZINC000329429500 565666185 /nfs/dbraw/zinc/66/61/85/565666185.db2.gz HVSUFUSVLVULNN-OIRASMEMSA-N 0 1 387.336 3.407 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H](O)C12CCCC2 ZINC000329428418 565666513 /nfs/dbraw/zinc/66/65/13/565666513.db2.gz JNWHPUXVYGCQHW-INIZCTEOSA-N 0 1 390.281 3.359 20 0 GGADMN Cc1cc(N2CC[C@H](NCc3ccc(Br)c(Cl)c3)C2=O)n(C)n1 ZINC000192187174 565667000 /nfs/dbraw/zinc/66/70/00/565667000.db2.gz VHYFREQMBLRJHL-AWEZNQCLSA-N 0 1 397.704 3.040 20 0 GGADMN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174919805 565666976 /nfs/dbraw/zinc/66/69/76/565666976.db2.gz LWWFPMSZYKETRP-SSDOTTSWSA-N 0 1 387.617 3.158 20 0 GGADMN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174923457 565667215 /nfs/dbraw/zinc/66/72/15/565667215.db2.gz 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565670177 /nfs/dbraw/zinc/67/01/77/565670177.db2.gz FQHVKCGKKVHMHY-BTDLBPIBSA-N 0 1 379.247 3.245 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000174955648 565670229 /nfs/dbraw/zinc/67/02/29/565670229.db2.gz LDEIHHYVNKUYLZ-UHFFFAOYSA-N 0 1 379.532 3.414 20 0 GGADMN O=S(=O)(NC1CCN([C@@H]2CCc3ccc(F)cc32)CC1)c1cccs1 ZINC000174985540 565671142 /nfs/dbraw/zinc/67/11/42/565671142.db2.gz IZAHOOLEDFQMFX-QGZVFWFLSA-N 0 1 380.510 3.317 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)CCN1C ZINC000329598512 565672442 /nfs/dbraw/zinc/67/24/42/565672442.db2.gz DCINZKLSIROOIF-CHWSQXEVSA-N 0 1 381.567 3.355 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCCNc1ncc(Cl)cc1Cl ZINC000175005263 565672548 /nfs/dbraw/zinc/67/25/48/565672548.db2.gz GVQQRJBCXJYIPC-UHFFFAOYSA-N 0 1 396.350 3.223 20 0 GGADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000175014848 565673998 /nfs/dbraw/zinc/67/39/98/565673998.db2.gz DSOAPPCPJJHLJN-UHFFFAOYSA-N 0 1 382.869 3.241 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)s1 ZINC000175027769 565674887 /nfs/dbraw/zinc/67/48/87/565674887.db2.gz KGHMKCPZJOKLGE-WDEREUQCSA-N 0 1 383.315 3.090 20 0 GGADMN C[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Br)s1 ZINC000175027823 565675332 /nfs/dbraw/zinc/67/53/32/565675332.db2.gz KGHMKCPZJOKLGE-MNOVXSKESA-N 0 1 383.315 3.090 20 0 GGADMN CC[C@H](CNC(=O)CSc1nnc(C)[nH]1)Cc1cccc(Br)c1 ZINC000175030154 565676117 /nfs/dbraw/zinc/67/61/17/565676117.db2.gz PJPWBYZXZVNRSM-LBPRGKRZSA-N 0 1 397.342 3.353 20 0 GGADMN CC[C@H](CNC(=O)CSc1nc(C)n[nH]1)Cc1cccc(Br)c1 ZINC000175030154 565676121 /nfs/dbraw/zinc/67/61/21/565676121.db2.gz PJPWBYZXZVNRSM-LBPRGKRZSA-N 0 1 397.342 3.353 20 0 GGADMN O=S(=O)(CCc1ccccc1)Nc1cc2ccc(Br)cn2n1 ZINC000410320930 565676572 /nfs/dbraw/zinc/67/65/72/565676572.db2.gz IFEDHNGCOUPRCF-UHFFFAOYSA-N 0 1 380.267 3.081 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)c1 ZINC000410370641 565679048 /nfs/dbraw/zinc/67/90/48/565679048.db2.gz DQPBXQMZFPOGGB-UHFFFAOYSA-N 0 1 376.463 3.400 20 0 GGADMN COC(=O)CC[N@@H+](CCc1cccnc1)Cc1cccc(Br)c1 ZINC000192330143 565680907 /nfs/dbraw/zinc/68/09/07/565680907.db2.gz YDLFRKRBHYYJNV-UHFFFAOYSA-N 0 1 377.282 3.452 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)c1 ZINC000410378791 565681007 /nfs/dbraw/zinc/68/10/07/565681007.db2.gz DERUVQRVHDSRDR-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2CSC)cc1OC ZINC000410396565 565681809 /nfs/dbraw/zinc/68/18/09/565681809.db2.gz CCONOFMAEZYSLZ-UHFFFAOYSA-N 0 1 381.475 3.146 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(SC)c2C)cc1OC ZINC000410396659 565681972 /nfs/dbraw/zinc/68/19/72/565681972.db2.gz VSPXRQLBMZDDDH-UHFFFAOYSA-N 0 1 381.475 3.313 20 0 GGADMN COCc1nc([C@@H]2CCCCN2Cc2sc(C)nc2C(F)(F)F)n[nH]1 ZINC000329818602 565681980 /nfs/dbraw/zinc/68/19/80/565681980.db2.gz GGJCJLNMLOQLER-JTQLQIEISA-N 0 1 375.420 3.462 20 0 GGADMN COc1cncc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)c1 ZINC000410393773 565682035 /nfs/dbraw/zinc/68/20/35/565682035.db2.gz QWQGMVNUUKBWHD-UHFFFAOYSA-N 0 1 378.841 3.039 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)s1 ZINC000280580511 565682038 /nfs/dbraw/zinc/68/20/38/565682038.db2.gz MMKTYEPSCPNKMR-UHFFFAOYSA-N 0 1 381.519 3.477 20 0 GGADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)c2)n1 ZINC000410390911 565682259 /nfs/dbraw/zinc/68/22/59/565682259.db2.gz SSIQRUXUBSKPRP-MRXNPFEDSA-N 0 1 381.567 3.373 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(SC)ccc2C)cc1OC ZINC000410395286 565682325 /nfs/dbraw/zinc/68/23/25/565682325.db2.gz NGLLWDBSYLJBNK-UHFFFAOYSA-N 0 1 381.475 3.313 20 0 GGADMN CCS(=O)(=O)c1ccc(CNCc2ccc(OCC(F)F)cc2)s1 ZINC000280599885 565682864 /nfs/dbraw/zinc/68/28/64/565682864.db2.gz OAMDKGHNGZJMNA-UHFFFAOYSA-N 0 1 375.462 3.475 20 0 GGADMN O=C(NCc1ccc(Cn2cncn2)cc1)c1c(O)cc(Cl)cc1Cl ZINC000175184420 565684030 /nfs/dbraw/zinc/68/40/30/565684030.db2.gz JDDKJXGDWDEQSA-UHFFFAOYSA-N 0 1 377.231 3.269 20 0 GGADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000175223709 565685629 /nfs/dbraw/zinc/68/56/29/565685629.db2.gz IPSSBBWZSJXYGX-JTQLQIEISA-N 0 1 381.263 3.257 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H](C2CC2)O1 ZINC000329920718 565685843 /nfs/dbraw/zinc/68/58/43/565685843.db2.gz HDQNQKRAZDEHCS-DIFFPNOSSA-N 0 1 390.281 3.479 20 0 GGADMN C[S@](=O)C1(CNCc2nc(-c3ccc(Br)cc3)c[nH]2)CCC1 ZINC000280639243 565686163 /nfs/dbraw/zinc/68/61/63/565686163.db2.gz MZTXTJAOVNUJOK-QFIPXVFZSA-N 0 1 382.327 3.230 20 0 GGADMN CC(=O)Nc1cccc(OCCNC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000175220629 565686357 /nfs/dbraw/zinc/68/63/57/565686357.db2.gz CHMHERDSOOECIX-UHFFFAOYSA-N 0 1 383.231 3.466 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)Nc3cc(C)c(Br)c(C)c3)CCO2)n[nH]1 ZINC000192418142 565686488 /nfs/dbraw/zinc/68/64/88/565686488.db2.gz YXMXWTYSRRXYQB-ZDUSSCGKSA-N 0 1 394.273 3.098 20 0 GGADMN Cc1cc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc(C)c1Br ZINC000192417596 565687095 /nfs/dbraw/zinc/68/70/95/565687095.db2.gz SQOHAFTYBYVCPN-HNNXBMFYSA-N 0 1 396.329 3.252 20 0 GGADMN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1c(O)cc(Cl)cc1Cl ZINC000175255467 565687856 /nfs/dbraw/zinc/68/78/56/565687856.db2.gz UVGSUZVPUXOQSK-UHFFFAOYSA-N 0 1 399.196 3.230 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Br)c1nnc[nH]1 ZINC000280669423 565688290 /nfs/dbraw/zinc/68/82/90/565688290.db2.gz CGLRFHXPHOGWGT-ZCFIWIBFSA-N 0 1 378.152 3.469 20 0 GGADMN CN(C)C(=O)c1cccc(CCNC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000175252000 565688416 /nfs/dbraw/zinc/68/84/16/565688416.db2.gz BWTGRWOQANDVDP-UHFFFAOYSA-N 0 1 381.259 3.373 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cc(Cl)c(F)c(Cl)c3)C2)CC1 ZINC000192421592 565688810 /nfs/dbraw/zinc/68/88/10/565688810.db2.gz YPNTYPKLSFCIKT-CYBMUJFWSA-N 0 1 389.302 3.376 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000330035600 565689433 /nfs/dbraw/zinc/68/94/33/565689433.db2.gz BVFPBCLVJRBJIJ-HNNXBMFYSA-N 0 1 381.860 3.146 20 0 GGADMN C[N@H+]1CCN(C(=O)c2[nH]nc(C3CC3)c2Br)C2(CCCCC2)C1 ZINC000330044705 565689738 /nfs/dbraw/zinc/68/97/38/565689738.db2.gz 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NC(=O)C1(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCCC1 ZINC000176194430 565757427 /nfs/dbraw/zinc/75/74/27/565757427.db2.gz TUCZWNQDEZZDSY-UHFFFAOYSA-N 0 1 377.794 3.075 20 0 GGADMN CN(C)C(=O)[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000411947613 565762038 /nfs/dbraw/zinc/76/20/38/565762038.db2.gz UDZQCSIVEKYJDA-CYBMUJFWSA-N 0 1 378.270 3.014 20 0 GGADMN NC(=O)[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1c1ccccc1 ZINC000411970232 565763078 /nfs/dbraw/zinc/76/30/78/565763078.db2.gz DNXKSQJIZXHVFT-UONOGXRCSA-N 0 1 377.257 3.289 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000331505719 565763220 /nfs/dbraw/zinc/76/32/20/565763220.db2.gz AUWDBQPQMOOJGZ-MIGQKNRLSA-N 0 1 396.329 3.044 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC(=O)Nc2ccc(Br)cn2)C1 ZINC000331505714 565763370 /nfs/dbraw/zinc/76/33/70/565763370.db2.gz AUWDBQPQMOOJGZ-BVUBDWEXSA-N 0 1 396.329 3.044 20 0 GGADMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CCc1nc[nH]n1 ZINC000331521492 565764015 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O=C(CSc1n[nH]c(=S)s1)NCCc1ccc(Br)cc1 ZINC000176339139 565765538 /nfs/dbraw/zinc/76/55/38/565765538.db2.gz JEEWPEMXSRKGIR-UHFFFAOYSA-N 0 1 390.353 3.414 20 0 GGADMN C[C@@H](NCCC(=O)N1CCCCC1)c1cc2c(cc1Br)OCCO2 ZINC000331551041 565766425 /nfs/dbraw/zinc/76/64/25/565766425.db2.gz JKPYJGOODNPPDQ-CYBMUJFWSA-N 0 1 397.313 3.274 20 0 GGADMN C[C@H](NCCC(=O)N1CCCCC1)c1cc2c(cc1Br)OCCO2 ZINC000331551042 565767212 /nfs/dbraw/zinc/76/72/12/565767212.db2.gz JKPYJGOODNPPDQ-ZDUSSCGKSA-N 0 1 397.313 3.274 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)N=c2nc(-c3sccc3C)[n-]s2)[C@@H](C)C1 ZINC000331569847 565768284 /nfs/dbraw/zinc/76/82/84/565768284.db2.gz LPUUPOVRHFQKAZ-STQMWFEESA-N 0 1 379.555 3.191 20 0 GGADMN CN(Cc1nc2cc(Br)ccc2o1)C(C)(C)CN1CCOCC1 ZINC000412087652 565769231 /nfs/dbraw/zinc/76/92/31/565769231.db2.gz CHYQETGQYIEKOA-UHFFFAOYSA-N 0 1 382.302 3.133 20 0 GGADMN CCN(C[C@@H]1CCN(CC(=O)N[C@@H](C)c2cccs2)C1)CC(F)(F)F ZINC000176404070 565769292 /nfs/dbraw/zinc/76/92/92/565769292.db2.gz 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Cc1nc(C(=O)NCc2ccc(CN(C)C)c(F)c2)c(Br)s1 ZINC000412235924 565776008 /nfs/dbraw/zinc/77/60/08/565776008.db2.gz SERYVWMSCLDFPU-UHFFFAOYSA-N 0 1 386.290 3.345 20 0 GGADMN O=C(CCc1cnc[nH]1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000193797770 565776460 /nfs/dbraw/zinc/77/64/60/565776460.db2.gz KTQGUZKOUJDBIS-UHFFFAOYSA-N 0 1 381.307 3.430 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1n[n-]c(=S)s1 ZINC000176487765 565776611 /nfs/dbraw/zinc/77/66/11/565776611.db2.gz DXENTQZFSAPSCW-CQSZACIVSA-N 0 1 394.591 3.273 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1n[n-]c(=S)s1 ZINC000176487746 565777255 /nfs/dbraw/zinc/77/72/55/565777255.db2.gz DXENTQZFSAPSCW-AWEZNQCLSA-N 0 1 394.591 3.273 20 0 GGADMN Cc1cc([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Br)cc3)C2)n[nH]1 ZINC000282418842 565778289 /nfs/dbraw/zinc/77/82/89/565778289.db2.gz DMVXALHYWLZHDU-CQSZACIVSA-N 0 1 398.326 3.190 20 0 GGADMN CCc1cc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)n[nH]1 ZINC000331732081 565780742 /nfs/dbraw/zinc/78/07/42/565780742.db2.gz QKIVYFSUWWGNHP-OAHLLOKOSA-N 0 1 377.286 3.451 20 0 GGADMN CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSc1n[nH]c(=S)s1 ZINC000176534298 565782511 /nfs/dbraw/zinc/78/25/11/565782511.db2.gz ARCXSCQJTYFYPJ-UHFFFAOYSA-N 0 1 386.471 3.427 20 0 GGADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ncccc1Br)C1CC1 ZINC000193911352 565782466 /nfs/dbraw/zinc/78/24/66/565782466.db2.gz QKDWCQQBZLHHDR-KRWDZBQOSA-N 0 1 388.309 3.485 20 0 GGADMN C[C@@H](CCNC(=O)CSc1n[n-]c(=S)s1)[N@@H+](C)Cc1ccccc1 ZINC000176535795 565783003 /nfs/dbraw/zinc/78/30/03/565783003.db2.gz YIRATWXODWKXDY-LBPRGKRZSA-N 0 1 382.580 3.320 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2ccc(Cl)cc2Br)C1 ZINC000331766624 565783061 /nfs/dbraw/zinc/78/30/61/565783061.db2.gz BEDZKKZOSFLSQF-OCCSQVGLSA-N 0 1 385.693 3.491 20 0 GGADMN O=c1nc([C@@H]2CCS(=O)(=O)C2)[nH]c2cc(-c3cccc(Cl)c3)sc21 ZINC000193923708 565783391 /nfs/dbraw/zinc/78/33/91/565783391.db2.gz MDXCCKLRSWAPTF-SNVBAGLBSA-N 0 1 380.878 3.207 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000331795207 565784594 /nfs/dbraw/zinc/78/45/94/565784594.db2.gz PAUGUXYZFQIUAQ-UONOGXRCSA-N 0 1 383.587 3.190 20 0 GGADMN O=S(=O)(CCNCc1cnc(-c2ccco2)s1)CCc1ccccc1 ZINC000282549356 565784687 /nfs/dbraw/zinc/78/46/87/565784687.db2.gz CSMDWTQRDQFFLD-UHFFFAOYSA-N 0 1 376.503 3.150 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)s1 ZINC000331798260 565785082 /nfs/dbraw/zinc/78/50/82/565785082.db2.gz WOXHUNAGLVFTMD-BDAKNGLRSA-N 0 1 386.271 3.109 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)s1 ZINC000331798262 565785179 /nfs/dbraw/zinc/78/51/79/565785179.db2.gz WOXHUNAGLVFTMD-IUCAKERBSA-N 0 1 386.271 3.109 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc(Br)s1 ZINC000331798264 565785437 /nfs/dbraw/zinc/78/54/37/565785437.db2.gz WOXHUNAGLVFTMD-RKDXNWHRSA-N 0 1 386.271 3.109 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c(C)o1 ZINC000331826530 565785649 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O=C(/C=C/c1csc(Br)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282609764 565788735 /nfs/dbraw/zinc/78/87/35/565788735.db2.gz BYICYVBAACEJEZ-NHZBNJEXSA-N 0 1 399.354 3.095 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000193991995 565788723 /nfs/dbraw/zinc/78/87/23/565788723.db2.gz XSTHPFJDSNAMQZ-FZKQIMNGSA-N 0 1 382.913 3.286 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H](C)c2cc(Br)cs2)cc1 ZINC000194002890 565789898 /nfs/dbraw/zinc/78/98/98/565789898.db2.gz JRQVSFWARMXALM-LLVKDONJSA-N 0 1 383.311 3.486 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3[nH]nc(C(C)C)c3Br)CC2)n[nH]1 ZINC000331870588 565789936 /nfs/dbraw/zinc/78/99/36/565789936.db2.gz DZQRVUJAQFQFQF-UHFFFAOYSA-N 0 1 380.290 3.347 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCCO[C@@H](CF)C1 ZINC000412458674 565790345 /nfs/dbraw/zinc/79/03/45/565790345.db2.gz ZZVFAQDFVHYKSO-LBPRGKRZSA-N 0 1 382.233 3.040 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1cccs1 ZINC000194023603 565790976 /nfs/dbraw/zinc/79/09/76/565790976.db2.gz 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565794007 /nfs/dbraw/zinc/79/40/07/565794007.db2.gz CMWYVOOFNJSXIM-RDTXWAMCSA-N 0 1 381.307 3.405 20 0 GGADMN COc1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)ccc1Br ZINC000176694045 565794815 /nfs/dbraw/zinc/79/48/15/565794815.db2.gz RGWGFSIMMYPVEO-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3cc(Br)cs3)C2=O)n(C)n1 ZINC000194107739 565794919 /nfs/dbraw/zinc/79/49/19/565794919.db2.gz ZYQSXIFSLITGOL-JQWIXIFHSA-N 0 1 383.315 3.009 20 0 GGADMN CCOc1ncccc1NS(=O)(=O)c1cc(OC)ccc1Br ZINC000176692404 565795543 /nfs/dbraw/zinc/79/55/43/565795543.db2.gz UJBHYHJUJYGTAH-UHFFFAOYSA-N 0 1 387.255 3.052 20 0 GGADMN CCOc1ccc(-c2nc(C[S@@](=O)Cc3n[nH]c(CC)n3)cs2)cc1 ZINC000194124578 565795894 /nfs/dbraw/zinc/79/58/94/565795894.db2.gz RKZINMSSXQZGOK-RUZDIDTESA-N 0 1 376.507 3.338 20 0 GGADMN COCc1nc([C@H]2CCCCN2C(=O)c2cccc(Br)c2)n[nH]1 ZINC000331961175 565796645 /nfs/dbraw/zinc/79/66/45/565796645.db2.gz UXKZNYRXSADHAW-CYBMUJFWSA-N 0 1 379.258 3.081 20 0 GGADMN C[C@@H](C(=O)N[C@H](C(N)=O)c1cccc(Br)c1)N1CCCCCC1 ZINC000331985382 565797400 /nfs/dbraw/zinc/79/74/00/565797400.db2.gz LQZKIZANRJWQQV-WFASDCNBSA-N 0 1 382.302 3.406 20 0 GGADMN CCOc1cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc(Br)c1O ZINC000331975655 565797453 /nfs/dbraw/zinc/79/74/53/565797453.db2.gz XGXHTRNJMOQIEB-DZGCQCFKSA-N 0 1 397.313 3.044 20 0 GGADMN COc1ccc(Br)c(CNC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000331990299 565798003 /nfs/dbraw/zinc/79/80/03/565798003.db2.gz WFSKPNZXGPEGSO-UHFFFAOYSA-N 0 1 393.285 3.270 20 0 GGADMN O=C(Cc1c(F)ccc(Br)c1F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000331998697 565798060 /nfs/dbraw/zinc/79/80/60/565798060.db2.gz DDQVLIJSVDEEST-LBPRGKRZSA-N 0 1 385.212 3.142 20 0 GGADMN O=C(NCCc1cc(Br)ccc1F)c1n[nH]nc1-c1ccccc1 ZINC000194174292 565798282 /nfs/dbraw/zinc/79/82/82/565798282.db2.gz BDEAYCMCNFEDTN-UHFFFAOYSA-N 0 1 389.228 3.346 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2ccccc2Br)ccc1C ZINC000176722136 565798834 /nfs/dbraw/zinc/79/88/34/565798834.db2.gz SXGGWVLLMTXVBU-UHFFFAOYSA-N 0 1 384.251 3.345 20 0 GGADMN C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1nnc[nH]1 ZINC000176739668 565799066 /nfs/dbraw/zinc/79/90/66/565799066.db2.gz RAUMHYXTYMYGAV-JTQLQIEISA-N 0 1 388.225 3.246 20 0 GGADMN COc1ccc(CNC(=O)c2n[nH]nc2-c2ccccc2)cc1Br ZINC000194177994 565799109 /nfs/dbraw/zinc/79/91/09/565799109.db2.gz WIZVKKYUCGGIGO-UHFFFAOYSA-N 0 1 387.237 3.173 20 0 GGADMN C[C@H](NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1nnc[nH]1 ZINC000176734198 565799238 /nfs/dbraw/zinc/79/92/38/565799238.db2.gz IGZOQDDVJORWRP-ZETCQYMHSA-N 0 1 398.311 3.172 20 0 GGADMN CC(C)CO[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332018240 565799501 /nfs/dbraw/zinc/79/95/01/565799501.db2.gz RYZFCVHGPIQPGQ-ZDUSSCGKSA-N 0 1 393.281 3.178 20 0 GGADMN C[C@@H](NC(=O)c1csc(-c2cc(Br)cs2)n1)c1nnc[nH]1 ZINC000176743122 565799649 /nfs/dbraw/zinc/79/96/49/565799649.db2.gz IKDLDMUEYMIPHD-ZCFIWIBFSA-N 0 1 384.284 3.243 20 0 GGADMN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)c1ccccc1 ZINC000194193788 565800432 /nfs/dbraw/zinc/80/04/32/565800432.db2.gz DZXBTPLSRFIVPC-UHFFFAOYSA-N 0 1 389.293 3.222 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cnc([C@@H](C)O)s1 ZINC000282864910 565800745 /nfs/dbraw/zinc/80/07/45/565800745.db2.gz ABSFIWYFIZXHJB-CYBMUJFWSA-N 0 1 377.535 3.306 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl ZINC000176771594 565801496 /nfs/dbraw/zinc/80/14/96/565801496.db2.gz DQCUTWUMDXNHPF-CYBMUJFWSA-N 0 1 397.953 3.481 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2-n2cccn2)C[C@H](C)N1C ZINC000332035143 565802136 /nfs/dbraw/zinc/80/21/36/565802136.db2.gz JJWVCWIDTGLLSD-BETUJISGSA-N 0 1 392.301 3.191 20 0 GGADMN COc1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1Br ZINC000332065608 565803330 /nfs/dbraw/zinc/80/33/30/565803330.db2.gz ROEUEPFTUHUFRR-LBPRGKRZSA-N 0 1 380.246 3.335 20 0 GGADMN CC(C)CNS(=O)(=O)c1scc(Br)c1Br ZINC000176813628 565805432 /nfs/dbraw/zinc/80/54/32/565805432.db2.gz LCZXPZSWHGILDP-UHFFFAOYSA-N 0 1 377.123 3.207 20 0 GGADMN O=S(=O)(CCCSc1nc(-c2ccccc2O)n[nH]1)c1ccccc1 ZINC000194279876 565806314 /nfs/dbraw/zinc/80/63/14/565806314.db2.gz KRNINJLYBSQBIC-UHFFFAOYSA-N 0 1 375.475 3.133 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3C)CC2)s1 ZINC000176837410 565806942 /nfs/dbraw/zinc/80/69/42/565806942.db2.gz IFAQSBVTMHLJHB-UHFFFAOYSA-N 0 1 379.551 3.011 20 0 GGADMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000194288975 565807254 /nfs/dbraw/zinc/80/72/54/565807254.db2.gz RLLNXRJCAXMSBX-UHFFFAOYSA-N 0 1 377.235 3.106 20 0 GGADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176875729 565810666 /nfs/dbraw/zinc/81/06/66/565810666.db2.gz AQKRYYDJVNBRJX-OAHLLOKOSA-N 0 1 396.329 3.252 20 0 GGADMN CC[C@H]1[C@@H](CO)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000332162252 565811394 /nfs/dbraw/zinc/81/13/94/565811394.db2.gz QXCDXJCKBYCHOP-OLZOCXBDSA-N 0 1 378.270 3.072 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3occc3Br)c2)CC1 ZINC000176891235 565811537 /nfs/dbraw/zinc/81/15/37/565811537.db2.gz QPWNBGSRKQOUSE-UHFFFAOYSA-N 0 1 378.270 3.042 20 0 GGADMN C[C@H](NCc1n[nH]c(C(C)(C)C)n1)c1cc2c(cc1Br)OCCO2 ZINC000332166730 565811902 /nfs/dbraw/zinc/81/19/02/565811902.db2.gz XGBMRZOVUPKZEQ-JTQLQIEISA-N 0 1 395.301 3.487 20 0 GGADMN CC[C@H]1[C@H](CO)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000332162268 565812229 /nfs/dbraw/zinc/81/22/29/565812229.db2.gz QXCDXJCKBYCHOP-STQMWFEESA-N 0 1 378.270 3.072 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332180820 565813891 /nfs/dbraw/zinc/81/38/91/565813891.db2.gz RWJMLYHFHBLLMM-WCQYABFASA-N 0 1 394.269 3.123 20 0 GGADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332183172 565814311 /nfs/dbraw/zinc/81/43/11/565814311.db2.gz NOWXGYRAHMCPKN-VHSXEESVSA-N 0 1 386.235 3.256 20 0 GGADMN C[C@]1(C(N)=O)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000332195323 565814621 /nfs/dbraw/zinc/81/46/21/565814621.db2.gz YNUGZXDNJNUWOK-INIZCTEOSA-N 0 1 377.242 3.227 20 0 GGADMN CN(C)Cc1ccnc(NC(=O)c2ccccc2I)c1 ZINC000176926344 565815371 /nfs/dbraw/zinc/81/53/71/565815371.db2.gz ZTIMPJJXVFNCOF-UHFFFAOYSA-N 0 1 381.217 3.000 20 0 GGADMN C[C@@H]1CSCCN1c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000176934689 565816318 /nfs/dbraw/zinc/81/63/18/565816318.db2.gz IMXWUYNJXFPHFI-LLVKDONJSA-N 0 1 385.461 3.102 20 0 GGADMN CC(=O)N[C@@H](C)C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000332222768 565817752 /nfs/dbraw/zinc/81/77/52/565817752.db2.gz JWGTYQXQOZXGHY-NSHDSACASA-N 0 1 380.286 3.327 20 0 GGADMN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332233921 565819490 /nfs/dbraw/zinc/81/94/90/565819490.db2.gz ZWRQGEUGTZDCIR-VHSXEESVSA-N 0 1 386.235 3.256 20 0 GGADMN Cc1cc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1Br ZINC000283468871 565819766 /nfs/dbraw/zinc/81/97/66/565819766.db2.gz ZKOOZWSLBKBPKE-GFCCVEGCSA-N 0 1 383.311 3.256 20 0 GGADMN CN(CCC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(Cl)c1Cl ZINC000176984845 565820847 /nfs/dbraw/zinc/82/08/47/565820847.db2.gz SPMNLKDBGHDWEB-UHFFFAOYSA-N 0 1 386.201 3.203 20 0 GGADMN Cc1nc(NC(=O)c2cccc3c[nH]nc32)ccc1I ZINC000194535538 565821348 /nfs/dbraw/zinc/82/13/48/565821348.db2.gz DMZHVTVIJBYNPM-UHFFFAOYSA-N 0 1 378.173 3.123 20 0 GGADMN Cn1cncc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000177038990 565824349 /nfs/dbraw/zinc/82/43/49/565824349.db2.gz JUAHWCAFLCUNGD-UHFFFAOYSA-N 0 1 377.286 3.033 20 0 GGADMN CCCO[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000332272894 565824422 /nfs/dbraw/zinc/82/44/22/565824422.db2.gz PWEVSDOKEHQSGJ-CYBMUJFWSA-N 0 1 381.416 3.381 20 0 GGADMN CNC(=O)c1ccn([C@H]2CCCN([C@H](C)c3ccccc3Br)C2)n1 ZINC000332279882 565824722 /nfs/dbraw/zinc/82/47/22/565824722.db2.gz DQZOPTDWINBLEP-KGLIPLIRSA-N 0 1 391.313 3.403 20 0 GGADMN CC(C)Sc1n[nH]c(NS(=O)(=O)Cc2ccc(Br)cc2)n1 ZINC000194593755 565825265 /nfs/dbraw/zinc/82/52/65/565825265.db2.gz DWHHZRIPKTVXMW-UHFFFAOYSA-N 0 1 391.316 3.010 20 0 GGADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCOc2ccc(Br)cc2C1 ZINC000283690842 565825447 /nfs/dbraw/zinc/82/54/47/565825447.db2.gz RBGUZYNHBRGJTE-AWEZNQCLSA-N 0 1 391.269 3.154 20 0 GGADMN O=C(c1cccc(Br)c1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332286115 565825637 /nfs/dbraw/zinc/82/56/37/565825637.db2.gz FSCYFXOZHJNHAR-QMMMGPOBSA-N 0 1 386.633 3.211 20 0 GGADMN Cc1n[nH]c([C@H]2CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000332297313 565826800 /nfs/dbraw/zinc/82/68/00/565826800.db2.gz KESLBRIGASWZTL-GXTWGEPZSA-N 0 1 378.274 3.332 20 0 GGADMN Cc1nnc([C@H]2CCCN([C@@H](C(N)=O)c3ccc(Br)cc3)C2)[nH]1 ZINC000332297313 565826805 /nfs/dbraw/zinc/82/68/05/565826805.db2.gz KESLBRIGASWZTL-GXTWGEPZSA-N 0 1 378.274 3.332 20 0 GGADMN COc1cccc(NC(=O)CCN(C)Cc2cc(Br)cn2C)c1 ZINC000177111447 565829732 /nfs/dbraw/zinc/82/97/32/565829732.db2.gz LWZIDHONQBACOL-UHFFFAOYSA-N 0 1 380.286 3.257 20 0 GGADMN CCOc1ccc(NC(=O)CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1 ZINC000177113206 565829923 /nfs/dbraw/zinc/82/99/23/565829923.db2.gz BDQKCKPJOWTIEM-UHFFFAOYSA-N 0 1 383.231 3.466 20 0 GGADMN O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332347932 565831028 /nfs/dbraw/zinc/83/10/28/565831028.db2.gz SDBOCDWNOWPDKV-QMMMGPOBSA-N 0 1 375.734 3.467 20 0 GGADMN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000177151585 565831620 /nfs/dbraw/zinc/83/16/20/565831620.db2.gz PVFGNBLOJNKWPF-MRVPVSSYSA-N 0 1 387.292 3.136 20 0 GGADMN CN(C)C(=O)c1ccc(CN[C@H](c2cncc(Br)c2)C2CC2)[nH]1 ZINC000283817938 565831763 /nfs/dbraw/zinc/83/17/63/565831763.db2.gz CJLCCHPIGBGOBL-INIZCTEOSA-N 0 1 377.286 3.115 20 0 GGADMN O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332358050 565832210 /nfs/dbraw/zinc/83/22/10/565832210.db2.gz ULSHULBZYHDQMI-MRVPVSSYSA-N 0 1 386.633 3.211 20 0 GGADMN O=C(NCCNC(=O)c1c(F)cccc1F)c1c(O)cc(Cl)cc1Cl ZINC000177161353 565832227 /nfs/dbraw/zinc/83/22/27/565832227.db2.gz FYVZTYAOSJFIJW-UHFFFAOYSA-N 0 1 389.185 3.137 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(C[C@H]4CCCO4)n3)n2)c1 ZINC000283832693 565832707 /nfs/dbraw/zinc/83/27/07/565832707.db2.gz JTIYOEGSEPLURC-LLVKDONJSA-N 0 1 376.214 3.006 20 0 GGADMN Cc1cc(N2CCC[C@@H](NC(=O)c3c(O)cc(Cl)cc3Cl)C2)n(C)n1 ZINC000332385971 565833005 /nfs/dbraw/zinc/83/30/05/565833005.db2.gz BVCBPUDHOCGQQZ-GFCCVEGCSA-N 0 1 383.279 3.140 20 0 GGADMN CS(=O)(=O)c1ccc(OCCCNC2(c3nccs3)CCCC2)cc1 ZINC000177166668 565833114 /nfs/dbraw/zinc/83/31/14/565833114.db2.gz HQUQNYUZEKANHY-UHFFFAOYSA-N 0 1 380.535 3.375 20 0 GGADMN C[C@H](c1cccc(Br)c1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332380672 565833169 /nfs/dbraw/zinc/83/31/69/565833169.db2.gz YPVKXISAJGMOLI-YPMHNXCESA-N 0 1 377.286 3.212 20 0 GGADMN C[C@@H](c1cccc(Br)c1)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332380671 565833422 /nfs/dbraw/zinc/83/34/22/565833422.db2.gz YPVKXISAJGMOLI-WCQYABFASA-N 0 1 377.286 3.212 20 0 GGADMN O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000194753939 565834916 /nfs/dbraw/zinc/83/49/16/565834916.db2.gz YDKAPDWFCYPCQY-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)c([O-])c1 ZINC000194753939 565834920 /nfs/dbraw/zinc/83/49/20/565834920.db2.gz YDKAPDWFCYPCQY-OAHLLOKOSA-N 0 1 389.293 3.407 20 0 GGADMN COCc1c(Br)cccc1NC(=O)N1CCN(CC(C)C)CC1 ZINC000194752320 565835387 /nfs/dbraw/zinc/83/53/87/565835387.db2.gz WQRHBZJSSYAKKW-UHFFFAOYSA-N 0 1 384.318 3.401 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCN(c3ccccc3C)CC2)c1Br ZINC000332413535 565835441 /nfs/dbraw/zinc/83/54/41/565835441.db2.gz KAWOQWUPOVIOOC-UHFFFAOYSA-N 0 1 377.286 3.005 20 0 GGADMN COCc1ncsc1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000283931718 565835728 /nfs/dbraw/zinc/83/57/28/565835728.db2.gz MIJAFRUHNIVDOC-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN O=S1(=O)CCC[C@H](CN(Cc2ccccc2)C[C@H](O)c2cccs2)C1 ZINC000283949611 565835811 /nfs/dbraw/zinc/83/58/11/565835811.db2.gz DITYEXNRETZJKX-MSOLQXFVSA-N 0 1 379.547 3.109 20 0 GGADMN O=S1(=O)CCC[C@@H](CN(Cc2ccccc2)C[C@H](O)c2cccs2)C1 ZINC000283949621 565836115 /nfs/dbraw/zinc/83/61/15/565836115.db2.gz DITYEXNRETZJKX-ROUUACIJSA-N 0 1 379.547 3.109 20 0 GGADMN C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cn[nH]c1 ZINC000284028710 565840014 /nfs/dbraw/zinc/84/00/14/565840014.db2.gz JEGSCKIPPDOVCC-NSHDSACASA-N 0 1 386.315 3.075 20 0 GGADMN CO[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1(C)C ZINC000332496280 565840218 /nfs/dbraw/zinc/84/02/18/565840218.db2.gz BXZXTMDIPZMKGK-HNNXBMFYSA-N 0 1 393.281 3.178 20 0 GGADMN Cc1nc([C@H](C)N2CCC(C(=O)Nc3ccccc3Br)CC2)n[nH]1 ZINC000332496016 565840230 /nfs/dbraw/zinc/84/02/30/565840230.db2.gz WUWPNPOTAFXLNW-NSHDSACASA-N 0 1 392.301 3.287 20 0 GGADMN C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)Oc1ccccc1Br ZINC000177272855 565840338 /nfs/dbraw/zinc/84/03/38/565840338.db2.gz FIGSVVBIAZDYKC-GFCCVEGCSA-N 0 1 388.265 3.452 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@H](C)c3ccc(Cl)c(Cl)c3)CCO2)n[nH]1 ZINC000332485159 565840618 /nfs/dbraw/zinc/84/06/18/565840618.db2.gz ZKOUYPAJILUBQM-YGRLFVJLSA-N 0 1 383.279 3.378 20 0 GGADMN NC(=O)C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332517507 565841371 /nfs/dbraw/zinc/84/13/71/565841371.db2.gz KOJWMPCUXYPIGK-NSHDSACASA-N 0 1 392.253 3.211 20 0 GGADMN Cc1nc(CN2CCN(C(=O)Nc3cc(Cl)c(C)c(Cl)c3)CC2)n[nH]1 ZINC000332532277 565842497 /nfs/dbraw/zinc/84/24/97/565842497.db2.gz YRFVKGGISYTLFX-UHFFFAOYSA-N 0 1 383.283 3.078 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000332555337 565843833 /nfs/dbraw/zinc/84/38/33/565843833.db2.gz NFTRZVKTPCBKNL-BETUJISGSA-N 0 1 393.347 3.079 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000332555337 565843836 /nfs/dbraw/zinc/84/38/36/565843836.db2.gz NFTRZVKTPCBKNL-BETUJISGSA-N 0 1 393.347 3.079 20 0 GGADMN O=C(CN1CCN(CCCCCF)CC1)Nc1ccc(Br)cc1 ZINC000284159963 565844790 /nfs/dbraw/zinc/84/47/90/565844790.db2.gz QBLOFVUXHOCBPP-UHFFFAOYSA-N 0 1 386.309 3.145 20 0 GGADMN NC(=O)C1CCC(NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000332627353 565848492 /nfs/dbraw/zinc/84/84/92/565848492.db2.gz SJBRWDLZQNHMAX-UHFFFAOYSA-N 0 1 392.253 3.114 20 0 GGADMN O=C1[C@H](Nc2ccc3cc(Br)c(F)cc3n2)C[C@@H]2CCCCN12 ZINC000413381350 565849081 /nfs/dbraw/zinc/84/90/81/565849081.db2.gz OBNXYWHNWHNXJT-XHDPSFHLSA-N 0 1 378.245 3.124 20 0 GGADMN O=C(NCCc1c(Cl)cccc1Cl)N1CCN(C2CCOCC2)CC1 ZINC000177424209 565850471 /nfs/dbraw/zinc/85/04/71/565850471.db2.gz NMLTVCLOTWONKB-UHFFFAOYSA-N 0 1 386.323 3.042 20 0 GGADMN COC(=O)[C@]1(C)CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000177435140 565850566 /nfs/dbraw/zinc/85/05/66/565850566.db2.gz NHWPBAXWYKGETR-QGZVFWFLSA-N 0 1 379.254 3.489 20 0 GGADMN CCCN1CCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000332655722 565850877 /nfs/dbraw/zinc/85/08/77/565850877.db2.gz LIWSJVQDHFRDBB-UHFFFAOYSA-N 0 1 383.283 3.134 20 0 GGADMN CN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000177445347 565851381 /nfs/dbraw/zinc/85/13/81/565851381.db2.gz XKMWLXOKPDVPQF-UHFFFAOYSA-N 0 1 399.969 3.319 20 0 GGADMN CC(C)(C)Oc1nc(NCc2n[nH]c(C(C)(C)C)n2)ncc1Br ZINC000413417826 565851814 /nfs/dbraw/zinc/85/18/14/565851814.db2.gz QHHTVAJCRGJBOJ-UHFFFAOYSA-N 0 1 383.294 3.444 20 0 GGADMN COC(=O)[C@@]1(C)CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000177459446 565852537 /nfs/dbraw/zinc/85/25/37/565852537.db2.gz VZEPYXQKSUVVBK-KRWDZBQOSA-N 0 1 379.254 3.489 20 0 GGADMN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Br)cc2nc[nH]c21 ZINC000332681067 565852676 /nfs/dbraw/zinc/85/26/76/565852676.db2.gz IAJBIVPFAVUQJX-VCTAVGKDSA-N 0 1 376.254 3.013 20 0 GGADMN CC1(C)CN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCS1 ZINC000177508441 565855933 /nfs/dbraw/zinc/85/59/33/565855933.db2.gz PVMJHKLMPGRCCT-UHFFFAOYSA-N 0 1 379.595 3.001 20 0 GGADMN O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000332772998 565856183 /nfs/dbraw/zinc/85/61/83/565856183.db2.gz WUGSXKLQCHMHLG-CXAGYDPISA-N 0 1 389.297 3.330 20 0 GGADMN O=C(N[C@@H](c1ccc(Br)cc1)C1CCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000332772998 565856185 /nfs/dbraw/zinc/85/61/85/565856185.db2.gz WUGSXKLQCHMHLG-CXAGYDPISA-N 0 1 389.297 3.330 20 0 GGADMN CC[C@@H](C(=O)Nc1c(-c2ccc(Br)cc2)nc(C)n1C)N(C)C ZINC000413505977 565856126 /nfs/dbraw/zinc/85/61/26/565856126.db2.gz PQPWPZWWLLKKLD-AWEZNQCLSA-N 0 1 379.302 3.437 20 0 GGADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCOC2(CCCC2)C1 ZINC000332886680 565857687 /nfs/dbraw/zinc/85/76/87/565857687.db2.gz QHUBQVIFSZSEKP-UHFFFAOYSA-N 0 1 391.265 3.076 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(Br)cc2N)N(C)C)c1 ZINC000177583131 565860630 /nfs/dbraw/zinc/86/06/30/565860630.db2.gz SPKVDWNGDUIFDP-QGZVFWFLSA-N 0 1 392.297 3.073 20 0 GGADMN O=S(=O)(Cc1ccc(OC(F)F)cc1)c1n[nH]c(Cc2cccs2)n1 ZINC000195158610 565862693 /nfs/dbraw/zinc/86/26/93/565862693.db2.gz VFXMGYCISHWANN-UHFFFAOYSA-N 0 1 385.417 3.032 20 0 GGADMN O=S(=O)(Cc1cccc(OC(F)F)c1)c1n[nH]c(Cc2cccs2)n1 ZINC000195161083 565862755 /nfs/dbraw/zinc/86/27/55/565862755.db2.gz WDCXKCFYBSBCAA-UHFFFAOYSA-N 0 1 385.417 3.032 20 0 GGADMN Cc1ccc(Br)c(CNC(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000413615281 565863037 /nfs/dbraw/zinc/86/30/37/565863037.db2.gz XKQBSYQTHIVFOY-UHFFFAOYSA-N 0 1 380.290 3.173 20 0 GGADMN COC1([C@@H](C)NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000413604677 565863062 /nfs/dbraw/zinc/86/30/62/565863062.db2.gz NBOHPEPEWXAUDL-SNVBAGLBSA-N 0 1 381.274 3.082 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]2C1 ZINC000333094228 565864606 /nfs/dbraw/zinc/86/46/06/565864606.db2.gz CWTZJXGFBINFKS-OUAUKWLOSA-N 0 1 384.299 3.153 20 0 GGADMN O[C@@H]1CC[C@@H]2CN(Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000333093614 565864747 /nfs/dbraw/zinc/86/47/47/565864747.db2.gz CUDWSRDPRLTQMY-VNHYZAJKSA-N 0 1 378.270 3.092 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(Br)cc2Cl)C1 ZINC000284674169 565864801 /nfs/dbraw/zinc/86/48/01/565864801.db2.gz VXLYOMNWAMVSMT-MFKMUULPSA-N 0 1 399.676 3.131 20 0 GGADMN O=S(=O)(C[C@H]1CCOC1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333095597 565864947 /nfs/dbraw/zinc/86/49/47/565864947.db2.gz BRGLRZFXUANSEQ-BLLLJJGKSA-N 0 1 383.901 3.110 20 0 GGADMN CSc1nsc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)n1 ZINC000177687529 565867769 /nfs/dbraw/zinc/86/77/69/565867769.db2.gz NEFYOYCDAASOTM-UHFFFAOYSA-N 0 1 377.539 3.218 20 0 GGADMN O=C(NC[C@H]1CCOC2(CCC2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000333132129 565868037 /nfs/dbraw/zinc/86/80/37/565868037.db2.gz XDHFHAIZBMXHNH-NSHDSACASA-N 0 1 378.270 3.405 20 0 GGADMN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333131319 565868318 /nfs/dbraw/zinc/86/83/18/565868318.db2.gz HYDVAABKXBVCMS-IUIKQTSFSA-N 0 1 383.901 3.251 20 0 GGADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NCc1ccccc1F ZINC000284748986 565868350 /nfs/dbraw/zinc/86/83/50/565868350.db2.gz LITADJIUOUUGKA-SFHVURJKSA-N 0 1 392.272 3.340 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)sc1C ZINC000333188859 565870700 /nfs/dbraw/zinc/87/07/00/565870700.db2.gz VBLZELQQAUWVSS-AWEZNQCLSA-N 0 1 385.580 3.012 20 0 GGADMN O=S(=O)([C@@H]1CCCOC1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333195552 565870750 /nfs/dbraw/zinc/87/07/50/565870750.db2.gz TZSQVMJOVDYHBT-CJNGLKHVSA-N 0 1 383.901 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CCOCC2)CC1 ZINC000177750188 565871562 /nfs/dbraw/zinc/87/15/62/565871562.db2.gz VROUHEBWKSEQLN-CYBMUJFWSA-N 0 1 386.323 3.117 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N[C@H](c2cncc(Br)c2)C2CC2)on1 ZINC000284825887 565873110 /nfs/dbraw/zinc/87/31/10/565873110.db2.gz QCWOTXIZDOWKDQ-BONVTDFDSA-N 0 1 379.258 3.208 20 0 GGADMN Cc1[nH]ncc1CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000195293622 565874109 /nfs/dbraw/zinc/87/41/09/565874109.db2.gz QIUWSXHROUBNNZ-UHFFFAOYSA-N 0 1 389.253 3.385 20 0 GGADMN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1c(O)cc(Cl)cc1Cl ZINC000333249194 565874150 /nfs/dbraw/zinc/87/41/50/565874150.db2.gz JYKBPQXWOAMREV-LBPRGKRZSA-N 0 1 386.279 3.109 20 0 GGADMN O=C(CCN1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1cc(Cl)ccc1Cl ZINC000284888704 565875144 /nfs/dbraw/zinc/87/51/44/565875144.db2.gz SJCVKJNDFCHNHR-KBRIMQKVSA-N 0 1 387.307 3.184 20 0 GGADMN Cc1cccn2c(=O)cc(CN[C@@H](c3cncc(Br)c3)C3CC3)nc12 ZINC000284903154 565876060 /nfs/dbraw/zinc/87/60/60/565876060.db2.gz UWWQNDPKWUYRRJ-GOSISDBHSA-N 0 1 399.292 3.401 20 0 GGADMN CN(C(=O)CN[C@@H](c1cncc(Br)c1)C1CC1)c1nccs1 ZINC000284913206 565876433 /nfs/dbraw/zinc/87/64/33/565876433.db2.gz VLEHTYHAKNIKMW-CQSZACIVSA-N 0 1 381.299 3.004 20 0 GGADMN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N[C@H]1CCc2nc[nH]c2C1 ZINC000333311667 565877295 /nfs/dbraw/zinc/87/72/95/565877295.db2.gz DYUVKYXWFYGOJZ-TVQRCGJNSA-N 0 1 393.260 3.155 20 0 GGADMN NC1(c2noc(Cc3cc4c(cc3Br)OCCO4)n2)CCCCC1 ZINC000333355737 565878182 /nfs/dbraw/zinc/87/81/82/565878182.db2.gz BZDSUPNJXUFVMH-UHFFFAOYSA-N 0 1 394.269 3.312 20 0 GGADMN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000284924022 565878346 /nfs/dbraw/zinc/87/83/46/565878346.db2.gz UWYLMOGLYYTPCS-ZVZYQTTQSA-N 0 1 384.307 3.393 20 0 GGADMN Cc1nnc(SCCC(=O)NCc2cccc(Br)c2Cl)[nH]1 ZINC000413880148 565878762 /nfs/dbraw/zinc/87/87/62/565878762.db2.gz LELCGGQFNSUIRD-UHFFFAOYSA-N 0 1 389.706 3.328 20 0 GGADMN O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000333369426 565879426 /nfs/dbraw/zinc/87/94/26/565879426.db2.gz IRUOZSZGZOAFMW-GFCCVEGCSA-N 0 1 376.258 3.077 20 0 GGADMN C[C@H](CC(=O)N1CCCCCC1)NCC(=O)Nc1ccc(Br)cc1 ZINC000177908032 565879939 /nfs/dbraw/zinc/87/99/39/565879939.db2.gz NKLRQWDFUSLXBI-CQSZACIVSA-N 0 1 396.329 3.158 20 0 GGADMN C[C@H](N[C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1nccs1 ZINC000284962834 565880388 /nfs/dbraw/zinc/88/03/88/565880388.db2.gz XIWSLLZGVBLHLB-TVQRCGJNSA-N 0 1 381.299 3.369 20 0 GGADMN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000333406418 565880489 /nfs/dbraw/zinc/88/04/89/565880489.db2.gz CKMSNBHAFQPANF-BZNIZROVSA-N 0 1 377.897 3.395 20 0 GGADMN CCCc1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000195394898 565880572 /nfs/dbraw/zinc/88/05/72/565880572.db2.gz AAPBYSDUFXGXQC-INIZCTEOSA-N 0 1 378.270 3.338 20 0 GGADMN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000333406415 565880769 /nfs/dbraw/zinc/88/07/69/565880769.db2.gz CKMSNBHAFQPANF-BDJLRTHQSA-N 0 1 377.897 3.395 20 0 GGADMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000333395906 565880876 /nfs/dbraw/zinc/88/08/76/565880876.db2.gz DSEIAUQNCHTCFI-FWYOQMDTSA-N 0 1 392.297 3.190 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000177934885 565882080 /nfs/dbraw/zinc/88/20/80/565882080.db2.gz YIFJINAZFPUDKJ-GFCCVEGCSA-N 0 1 381.885 3.001 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cscc1Br ZINC000285000813 565882767 /nfs/dbraw/zinc/88/27/67/565882767.db2.gz FWPLCTWAZQJTOU-UHFFFAOYSA-N 0 1 380.311 3.300 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000177934873 565882807 /nfs/dbraw/zinc/88/28/07/565882807.db2.gz YIFJINAZFPUDKJ-LBPRGKRZSA-N 0 1 381.885 3.001 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177969875 565884599 /nfs/dbraw/zinc/88/45/99/565884599.db2.gz URRJUVQXRTUOCX-JCQPUDPBSA-N 0 1 385.938 3.202 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177969863 565884665 /nfs/dbraw/zinc/88/46/65/565884665.db2.gz URRJUVQXRTUOCX-ZAMGYDSWSA-N 0 1 385.938 3.202 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000177996095 565887467 /nfs/dbraw/zinc/88/74/67/565887467.db2.gz XNLNTAOBAKOTCA-QGZVFWFLSA-N 0 1 380.510 3.239 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000177993842 565887887 /nfs/dbraw/zinc/88/78/87/565887887.db2.gz BAGLNCGGHUDBFJ-QGZVFWFLSA-N 0 1 380.510 3.239 20 0 GGADMN COc1ccc([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000178003739 565888960 /nfs/dbraw/zinc/88/89/60/565888960.db2.gz ZGSGPFKNKQTDRZ-GFCCVEGCSA-N 0 1 386.876 3.117 20 0 GGADMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(C4CCOCC4)cs3)ccc2O1 ZINC000285115397 565889140 /nfs/dbraw/zinc/88/91/40/565889140.db2.gz OTCWRJHHJSFWCU-LLVKDONJSA-N 0 1 380.491 3.161 20 0 GGADMN COCc1ncc(C(=O)Nc2cccc(CN3CCSCC3)c2C)s1 ZINC000285132633 565889757 /nfs/dbraw/zinc/88/97/57/565889757.db2.gz JLOQPEDOKPURFD-UHFFFAOYSA-N 0 1 377.535 3.399 20 0 GGADMN COC(=O)c1cnc([C@@H](C)NCCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000414083437 565893962 /nfs/dbraw/zinc/89/39/62/565893962.db2.gz WQCJRMHOFFYDCA-SNVBAGLBSA-N 0 1 382.869 3.248 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H](O)CC12CCC2 ZINC000333739308 565894783 /nfs/dbraw/zinc/89/47/83/565894783.db2.gz MCLWLBSWHPTTAN-AWEZNQCLSA-N 0 1 390.281 3.359 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178117635 565897361 /nfs/dbraw/zinc/89/73/61/565897361.db2.gz PDRSGORYNSETFU-CWRNSKLLSA-N 0 1 383.319 3.278 20 0 GGADMN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000414134515 565897948 /nfs/dbraw/zinc/89/79/48/565897948.db2.gz CTGWLIDOZIRHCC-GARJFASQSA-N 0 1 381.325 3.247 20 0 GGADMN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccnc(C(=O)N(C)C)c2)c1 ZINC000285313597 565899879 /nfs/dbraw/zinc/89/98/79/565899879.db2.gz SIHPUWCTQOOSID-UHFFFAOYSA-N 0 1 381.885 3.361 20 0 GGADMN Cc1noc(C)c1C[C@H](C)NCc1ncc(I)s1 ZINC000285352581 565902241 /nfs/dbraw/zinc/90/22/41/565902241.db2.gz ACISKNXHRLFSSR-ZETCQYMHSA-N 0 1 377.251 3.073 20 0 GGADMN Cc1nc([C@H]2CCN(c3nc(C(F)(F)F)c(Br)s3)C2)n[nH]1 ZINC000333925490 565903181 /nfs/dbraw/zinc/90/31/81/565903181.db2.gz UQEYAHYYSIYAMP-LURJTMIESA-N 0 1 382.209 3.345 20 0 GGADMN Cc1nnc([C@H]2CCN(c3nc(C(F)(F)F)c(Br)s3)C2)[nH]1 ZINC000333925490 565903184 /nfs/dbraw/zinc/90/31/84/565903184.db2.gz UQEYAHYYSIYAMP-LURJTMIESA-N 0 1 382.209 3.345 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccnc1-n1cccn1 ZINC000178181440 565904160 /nfs/dbraw/zinc/90/41/60/565904160.db2.gz GLXWBNPVMYAEKJ-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN COc1ccc([C@H](C)NCCC(C)(C)S(C)(=O)=O)c(Br)c1 ZINC000414246977 565905272 /nfs/dbraw/zinc/90/52/72/565905272.db2.gz CBBGGTAXFDJRQI-NSHDSACASA-N 0 1 378.332 3.322 20 0 GGADMN CC(C)CCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000178191905 565905313 /nfs/dbraw/zinc/90/53/13/565905313.db2.gz HRDTYVJUSNRYRJ-UHFFFAOYSA-N 0 1 398.244 3.299 20 0 GGADMN CO[C@@](C)([C@H](C)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C1CC1 ZINC000414232598 565905490 /nfs/dbraw/zinc/90/54/90/565905490.db2.gz IDWNHWRJPJMKOD-PUTJDCORSA-N 0 1 395.352 3.495 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C(N)=O)ccc3F)s2)cs1 ZINC000178211957 565906653 /nfs/dbraw/zinc/90/66/53/565906653.db2.gz UKYINPCKNQXREP-UHFFFAOYSA-N 0 1 397.478 3.219 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCc2c(F)ccc(Br)c2C1 ZINC000333989061 565907874 /nfs/dbraw/zinc/90/78/74/565907874.db2.gz IQUOMAFJBPXCLQ-OAHLLOKOSA-N 0 1 393.260 3.457 20 0 GGADMN CS(=O)(=O)c1ccc(CNCCOc2ccc(C(F)(F)F)cc2)s1 ZINC000414295376 565908353 /nfs/dbraw/zinc/90/83/53/565908353.db2.gz NTTWPOYPWLNCKH-UHFFFAOYSA-N 0 1 379.425 3.339 20 0 GGADMN CS(=O)(=O)c1ccc(CNCCOc2cccc(Br)c2)s1 ZINC000414302739 565909445 /nfs/dbraw/zinc/90/94/45/565909445.db2.gz BSHQTVIVQAWKTJ-UHFFFAOYSA-N 0 1 390.324 3.083 20 0 GGADMN C[NH+](C)Cc1cnc(CN=c2[n-]nc(COc3ccc(Cl)cc3)s2)s1 ZINC000414299080 565909589 /nfs/dbraw/zinc/90/95/89/565909589.db2.gz JLTIIEDPZSDSCW-UHFFFAOYSA-N 0 1 395.941 3.323 20 0 GGADMN CCc1nc(CCNCc2ncc(I)s2)cs1 ZINC000285497646 565910174 /nfs/dbraw/zinc/91/01/74/565910174.db2.gz PUYIGVTYJBJKEL-UHFFFAOYSA-N 0 1 379.292 3.099 20 0 GGADMN C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1cc(Br)ccc1F ZINC000414325462 565911258 /nfs/dbraw/zinc/91/12/58/565911258.db2.gz KEEZJIGKLNKXPL-NSHDSACASA-N 0 1 378.307 3.454 20 0 GGADMN CC(C)[C@@H](N[C@@H](C)c1cc(Br)ccc1F)C(=O)N1CCOCC1 ZINC000178360328 565915283 /nfs/dbraw/zinc/91/52/83/565915283.db2.gz HQFWRKDTCCUNCB-BLLLJJGKSA-N 0 1 387.293 3.122 20 0 GGADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1C ZINC000178378496 565916429 /nfs/dbraw/zinc/91/64/29/565916429.db2.gz GBIKPRAGKYPFSE-UHFFFAOYSA-N 0 1 379.463 3.219 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)cc1OC ZINC000414373694 565917094 /nfs/dbraw/zinc/91/70/94/565917094.db2.gz SNFRRQDYSPTNIS-UHFFFAOYSA-N 0 1 387.841 3.175 20 0 GGADMN Cn1cccc1S(=O)(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000414373525 565917117 /nfs/dbraw/zinc/91/71/17/565917117.db2.gz MNKZJHPAGLSDQZ-XMMPIXPASA-N 0 1 380.535 3.407 20 0 GGADMN Cn1cccc1S(=O)(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000414373524 565917519 /nfs/dbraw/zinc/91/75/19/565917519.db2.gz MNKZJHPAGLSDQZ-DEOSSOPVSA-N 0 1 380.535 3.407 20 0 GGADMN Cc1ccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)nn1 ZINC000414378440 565918287 /nfs/dbraw/zinc/91/82/87/565918287.db2.gz YYANXRBEOOISPA-UHFFFAOYSA-N 0 1 389.297 3.398 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000178428221 565918263 /nfs/dbraw/zinc/91/82/63/565918263.db2.gz CETAYGDRLACMFC-JTSKRJEESA-N 0 1 382.323 3.352 20 0 GGADMN CCOC(=O)CC1(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000414376364 565918787 /nfs/dbraw/zinc/91/87/87/565918787.db2.gz UCCVAIRLXZWWDV-UHFFFAOYSA-N 0 1 397.440 3.410 20 0 GGADMN CCOC(=O)CC1(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)CC1 ZINC000414383366 565919629 /nfs/dbraw/zinc/91/96/29/565919629.db2.gz RBTOHOAIVWDGSL-UHFFFAOYSA-N 0 1 380.491 3.346 20 0 GGADMN CSc1ccccc1S(=O)(=O)[N-]c1ccc(OCC[NH+](C)C)c(F)c1 ZINC000414384851 565921001 /nfs/dbraw/zinc/92/10/01/565921001.db2.gz DDPAPQDVHXIGKY-UHFFFAOYSA-N 0 1 384.498 3.289 20 0 GGADMN COC(=O)c1c(Cl)cccc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000414386258 565921324 /nfs/dbraw/zinc/92/13/24/565921324.db2.gz WLLIABRIYLLOGS-JTQLQIEISA-N 0 1 383.857 3.095 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2cccc(Cl)c2Br)[C@@H](C)C1 ZINC000285683193 565921442 /nfs/dbraw/zinc/92/14/42/565921442.db2.gz AHWOMCUTUIFNJU-WDEREUQCSA-N 0 1 390.709 3.021 20 0 GGADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(Br)sc1Br ZINC000227274784 565921671 /nfs/dbraw/zinc/92/16/71/565921671.db2.gz BVLSHMOVHISGTL-ZETCQYMHSA-N 0 1 394.132 3.240 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2cccc(Cl)c2Br)[C@H](C)C1 ZINC000285683168 565921933 /nfs/dbraw/zinc/92/19/33/565921933.db2.gz AHWOMCUTUIFNJU-GHMZBOCLSA-N 0 1 390.709 3.021 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2cc(OC)c(Cl)c(OC)c2)c1 ZINC000414388995 565921930 /nfs/dbraw/zinc/92/19/30/565921930.db2.gz NYKLUTXDVFJUSM-UHFFFAOYSA-N 0 1 387.841 3.175 20 0 GGADMN CSc1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC000414388572 565922408 /nfs/dbraw/zinc/92/24/08/565922408.db2.gz MJXUHQBYXQRJHL-UHFFFAOYSA-N 0 1 384.498 3.289 20 0 GGADMN COCCOc1ccccc1S(=O)(=O)Nc1ccc(OC)c(SC)c1 ZINC000414390009 565922547 /nfs/dbraw/zinc/92/25/47/565922547.db2.gz UYQUETVUOYXFSM-UHFFFAOYSA-N 0 1 383.491 3.243 20 0 GGADMN O=C(Nc1cccnc1Br)NC1CCN(Cc2ccncc2)CC1 ZINC000178509162 565923493 /nfs/dbraw/zinc/92/34/93/565923493.db2.gz XDSJVELRZGJXKK-UHFFFAOYSA-N 0 1 390.285 3.025 20 0 GGADMN C[C@@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1nnc[nH]1 ZINC000178524633 565924204 /nfs/dbraw/zinc/92/42/04/565924204.db2.gz DRYGVNWAJCXBLT-MRVPVSSYSA-N 0 1 382.207 3.170 20 0 GGADMN CCN(CC)[C@H](CN1C(=O)[C@H]2CSCCN2C1=O)c1ccccc1Cl ZINC000349274703 565925195 /nfs/dbraw/zinc/92/51/95/565925195.db2.gz CKZDSXCTGSMADP-HZPDHXFCSA-N 0 1 381.929 3.103 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)[nH]1 ZINC000285770181 565925989 /nfs/dbraw/zinc/92/59/89/565925989.db2.gz RZVFTFYXMDWECB-CQSZACIVSA-N 0 1 396.314 3.020 20 0 GGADMN O[C@H](CNCc1ccc(Br)c(Br)c1)C(F)(F)F ZINC000229585123 565926288 /nfs/dbraw/zinc/92/62/88/565926288.db2.gz VFGXMOFQPZEJBW-SECBINFHSA-N 0 1 376.998 3.224 20 0 GGADMN CCC[C@@H](CCO)CNCc1ncc(Br)cc1Br ZINC000230556595 565928556 /nfs/dbraw/zinc/92/85/56/565928556.db2.gz LDKZNWZOGRJLOG-JTQLQIEISA-N 0 1 380.124 3.495 20 0 GGADMN Nc1cc(N)nc(SCc2ccnc(-c3ccc(Br)cc3)n2)n1 ZINC000178666331 565932311 /nfs/dbraw/zinc/93/23/11/565932311.db2.gz FVCCWXMNJILKHU-UHFFFAOYSA-N 0 1 389.282 3.153 20 0 GGADMN Cc1csc([C@@H](C)CNCc2ncc(I)s2)n1 ZINC000285934008 565933626 /nfs/dbraw/zinc/93/36/26/565933626.db2.gz LVFWCMINXKUMPQ-ZETCQYMHSA-N 0 1 379.292 3.406 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000234110015 565933559 /nfs/dbraw/zinc/93/35/59/565933559.db2.gz WLQQRAPYVWWODA-LBPRGKRZSA-N 0 1 395.750 3.207 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234111113 565934286 /nfs/dbraw/zinc/93/42/86/565934286.db2.gz RSPQYZFJSXFRLM-NSHDSACASA-N 0 1 395.750 3.207 20 0 GGADMN C[C@H](C[C@H](O)c1ccccc1)NCc1ncc(I)s1 ZINC000285958421 565934960 /nfs/dbraw/zinc/93/49/60/565934960.db2.gz MZWSERBIYNTXBH-PWSUYJOCSA-N 0 1 388.274 3.350 20 0 GGADMN Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000414450477 565935054 /nfs/dbraw/zinc/93/50/54/565935054.db2.gz GLNSNBQPBZGGNB-UHFFFAOYSA-N 0 1 380.897 3.281 20 0 GGADMN COC[C@H]1CC[N@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000234713812 565935132 /nfs/dbraw/zinc/93/51/32/565935132.db2.gz QIABHNFVCYGKSN-VIFPVBQESA-N 0 1 379.092 3.386 20 0 GGADMN COC[C@H]1CC[N@@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000234713812 565935136 /nfs/dbraw/zinc/93/51/36/565935136.db2.gz QIABHNFVCYGKSN-VIFPVBQESA-N 0 1 379.092 3.386 20 0 GGADMN CC[C@@H](C)CN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000178728996 565935359 /nfs/dbraw/zinc/93/53/59/565935359.db2.gz UZSQDAHONLMGCC-SNVBAGLBSA-N 0 1 398.244 3.251 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](C)N1 ZINC000235337130 565935786 /nfs/dbraw/zinc/93/57/86/565935786.db2.gz QNRFVQYZCBDYBT-RKDXNWHRSA-N 0 1 376.092 3.034 20 0 GGADMN OCC[C@@H]1CCC[C@@H]1NCc1nc(Cc2cccc(Br)c2)no1 ZINC000285966693 565935793 /nfs/dbraw/zinc/93/57/93/565935793.db2.gz DMSLHPIZJMOIEM-ZFWWWQNUSA-N 0 1 380.286 3.064 20 0 GGADMN CCS[C@@H]1CCC[C@@H]1NCc1nnnn1-c1ccccc1Br ZINC000285984071 565936095 /nfs/dbraw/zinc/93/60/95/565936095.db2.gz FNBXEVYGXCVAGB-GXTWGEPZSA-N 0 1 382.331 3.189 20 0 GGADMN Cc1cc(C)c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c(C)n1 ZINC000414456369 565936466 /nfs/dbraw/zinc/93/64/66/565936466.db2.gz JEPLDQVYIKKTFZ-UHFFFAOYSA-N 0 1 375.372 3.144 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](C)N1 ZINC000235683889 565937131 /nfs/dbraw/zinc/93/71/31/565937131.db2.gz QNRFVQYZCBDYBT-IUCAKERBSA-N 0 1 376.092 3.034 20 0 GGADMN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(C)c2Br)c1 ZINC000178796948 565937567 /nfs/dbraw/zinc/93/75/67/565937567.db2.gz XPWYZYPZJLVPRI-UHFFFAOYSA-N 0 1 397.294 3.226 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(CN)o2)CC1 ZINC000178821798 565939034 /nfs/dbraw/zinc/93/90/34/565939034.db2.gz FXOMPDKFEJYWIM-CYBMUJFWSA-N 0 1 392.297 3.020 20 0 GGADMN O=C(c1cccc(Sc2cccc(Br)c2)n1)N1CCNCC1 ZINC000236575808 565939879 /nfs/dbraw/zinc/93/98/79/565939879.db2.gz FWZSFBSQMAYVMI-UHFFFAOYSA-N 0 1 378.295 3.041 20 0 GGADMN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000414471397 565940556 /nfs/dbraw/zinc/94/05/56/565940556.db2.gz OYMWGGBAWMOKJD-UHFFFAOYSA-N 0 1 378.878 3.282 20 0 GGADMN O=S1(=O)CCCN1C1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000414472198 565940672 /nfs/dbraw/zinc/94/06/72/565940672.db2.gz QXILPAYHJRADNZ-UHFFFAOYSA-N 0 1 376.547 3.415 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1S(C)(=O)=O ZINC000414481855 565941319 /nfs/dbraw/zinc/94/13/19/565941319.db2.gz WYWFQUFARCESQQ-UHFFFAOYSA-N 0 1 381.519 3.497 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(NC(C)=O)cc2)c1 ZINC000414478554 565942094 /nfs/dbraw/zinc/94/20/94/565942094.db2.gz GODJHACZXAPMHT-UHFFFAOYSA-N 0 1 380.897 3.382 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc([S@@](C)=O)cc2)c1 ZINC000414495397 565942624 /nfs/dbraw/zinc/94/26/24/565942624.db2.gz NPSSPAIWYBMIND-HSZRJFAPSA-N 0 1 385.938 3.161 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cnc3c(C)cccn23)c1 ZINC000414496231 565943266 /nfs/dbraw/zinc/94/32/66/565943266.db2.gz PGCQQKPWSQKIPI-UHFFFAOYSA-N 0 1 377.897 3.380 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(OC)cc1Br ZINC000286119097 565943337 /nfs/dbraw/zinc/94/33/37/565943337.db2.gz URMWFFRYXMOLBO-HOTGVXAUSA-N 0 1 380.286 3.294 20 0 GGADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cnc3cc(C)ccn23)c1 ZINC000414494363 565943403 /nfs/dbraw/zinc/94/34/03/565943403.db2.gz KJHDOYMSGUEVGD-UHFFFAOYSA-N 0 1 377.897 3.380 20 0 GGADMN CC(C)NS(=O)(=O)CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178895333 565943942 /nfs/dbraw/zinc/94/39/42/565943942.db2.gz DNPCPWVZJCCDQV-UHFFFAOYSA-N 0 1 392.365 3.142 20 0 GGADMN CC[C@H](NCc1ncc(Br)cc1Br)[C@H](O)C(C)C ZINC000414525848 565945343 /nfs/dbraw/zinc/94/53/43/565945343.db2.gz KKQKKVGWHVBFCL-WCQYABFASA-N 0 1 380.124 3.492 20 0 GGADMN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000236848686 565946438 /nfs/dbraw/zinc/94/64/38/565946438.db2.gz IFZJFRAECDPCOS-UHFFFAOYSA-N 0 1 387.702 3.037 20 0 GGADMN COc1cc(Br)c(CNC[C@H](CO)c2ccc(F)cc2)c(OC)c1 ZINC000414531255 565947047 /nfs/dbraw/zinc/94/70/47/565947047.db2.gz RONRVDOKEVGHQG-CYBMUJFWSA-N 0 1 398.272 3.471 20 0 GGADMN C[C@H](C[C@H](O)c1cccs1)NCc1ncc(I)s1 ZINC000286250710 565950431 /nfs/dbraw/zinc/95/04/31/565950431.db2.gz ZZDZFZLVKLRCNT-BDAKNGLRSA-N 0 1 394.303 3.411 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)n[nH]1 ZINC000286256027 565950508 /nfs/dbraw/zinc/95/05/08/565950508.db2.gz FGQVEILMQXANKR-ZCFIWIBFSA-N 0 1 393.163 3.265 20 0 GGADMN CC[C@](CNCc1c(Br)c(C)nn1C)(C(=O)OC)c1ccccc1 ZINC000414585872 565951037 /nfs/dbraw/zinc/95/10/37/565951037.db2.gz LBRKFPTTZFZXBN-GOSISDBHSA-N 0 1 394.313 3.102 20 0 GGADMN CC(C)n1cc(CNC2CCN(Cc3cccc(Br)c3)CC2)nn1 ZINC000414594529 565951411 /nfs/dbraw/zinc/95/14/11/565951411.db2.gz YIIOXKHYXSWFNZ-UHFFFAOYSA-N 0 1 392.345 3.376 20 0 GGADMN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000286286481 565951560 /nfs/dbraw/zinc/95/15/60/565951560.db2.gz IKJWDZIUEJRNRJ-CHWSQXEVSA-N 0 1 376.444 3.172 20 0 GGADMN O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000286298547 565952593 /nfs/dbraw/zinc/95/25/93/565952593.db2.gz MRROJOLWICSDNU-WBIUFABUSA-N 0 1 379.247 3.126 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286296270 565952802 /nfs/dbraw/zinc/95/28/02/565952802.db2.gz OVYRRNCQNIWFQR-PSASIEDQSA-N 0 1 393.818 3.425 20 0 GGADMN COc1ccc(Br)cc1CNCc1cnc2c(c1)c(C)nn2C ZINC000237143975 565953029 /nfs/dbraw/zinc/95/30/29/565953029.db2.gz JMIBSSJVMOGMMR-UHFFFAOYSA-N 0 1 375.270 3.338 20 0 GGADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000414671391 565953671 /nfs/dbraw/zinc/95/36/71/565953671.db2.gz ATVBLBWNDTXNBX-QMMMGPOBSA-N 0 1 394.107 3.479 20 0 GGADMN CCN(CC(=O)NCC1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000179042073 565954241 /nfs/dbraw/zinc/95/42/41/565954241.db2.gz TYTIMLKJAMZAIY-UHFFFAOYSA-N 0 1 395.341 3.098 20 0 GGADMN COc1ccc(Br)c(CNC[C@H](O)COc2cccc(C)c2)c1 ZINC000237327580 565956417 /nfs/dbraw/zinc/95/64/17/565956417.db2.gz OQSOSPQMBDCRSK-HNNXBMFYSA-N 0 1 380.282 3.296 20 0 GGADMN O=S(=O)(NCCNCc1ccc(-c2ccc(F)cc2)o1)c1cccs1 ZINC000179087474 565956841 /nfs/dbraw/zinc/95/68/41/565956841.db2.gz OSXRJNUMFIOAFH-UHFFFAOYSA-N 0 1 380.466 3.215 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000286419003 565958789 /nfs/dbraw/zinc/95/87/89/565958789.db2.gz PQCPJZDLSSIKCA-VIFPVBQESA-N 0 1 379.251 3.405 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ccc(Br)cc1F ZINC000286432484 565958823 /nfs/dbraw/zinc/95/88/23/565958823.db2.gz GMOVRBFVDLTTIC-PXAZEXFGSA-N 0 1 399.304 3.409 20 0 GGADMN CS(=O)(=O)c1cccc(Br)c1NC1CCN(CC2CC2)CC1 ZINC000286429955 565959259 /nfs/dbraw/zinc/95/92/59/565959259.db2.gz PYAGGLNIMIUHMC-UHFFFAOYSA-N 0 1 387.343 3.139 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cscc2Br)CCC[N@H+]1C ZINC000286426938 565959422 /nfs/dbraw/zinc/95/94/22/565959422.db2.gz QUBXBVKHQAUYKZ-XHDPSFHLSA-N 0 1 397.342 3.057 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2cscc2Br)CCCN1C ZINC000286426938 565959428 /nfs/dbraw/zinc/95/94/28/565959428.db2.gz QUBXBVKHQAUYKZ-XHDPSFHLSA-N 0 1 397.342 3.057 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN[C@H](C)C1 ZINC000237391903 565959563 /nfs/dbraw/zinc/95/95/63/565959563.db2.gz LGEKEYZSZUWLDA-GFCCVEGCSA-N 0 1 377.897 3.396 20 0 GGADMN CCOC(=O)C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(C)=O ZINC000286435611 565960429 /nfs/dbraw/zinc/96/04/29/565960429.db2.gz DWFXZXQTSGMQQK-LBPRGKRZSA-N 0 1 398.282 3.237 20 0 GGADMN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCNC[C@H]1C ZINC000237451532 565960505 /nfs/dbraw/zinc/96/05/05/565960505.db2.gz ZBDUDYXFMHJKBE-CHWSQXEVSA-N 0 1 379.913 3.437 20 0 GGADMN C[C@H](NC(=O)[C@H](N)c1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC000237508306 565961332 /nfs/dbraw/zinc/96/13/32/565961332.db2.gz VFFPFUHEHGIMKF-APPDUMDISA-N 0 1 391.265 3.098 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1Br ZINC000237477501 565961770 /nfs/dbraw/zinc/96/17/70/565961770.db2.gz HTUYFPDHUOFXCQ-PXAZEXFGSA-N 0 1 389.293 3.349 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(Br)cc(C(F)(F)F)c2)n[nH]1 ZINC000286471352 565962241 /nfs/dbraw/zinc/96/22/41/565962241.db2.gz UDXFDJBZXNNQSY-ZCFIWIBFSA-N 0 1 377.164 3.385 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(COc3ccccc3Br)cc2)CCN1 ZINC000237550471 565962601 /nfs/dbraw/zinc/96/26/01/565962601.db2.gz CKMLUQBKTCTGDC-AWEZNQCLSA-N 0 1 389.293 3.462 20 0 GGADMN C[C@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CCN1 ZINC000237528059 565962888 /nfs/dbraw/zinc/96/28/88/565962888.db2.gz REKXFSYICUCPIF-LBPRGKRZSA-N 0 1 376.254 3.070 20 0 GGADMN C[C@H]1CN(C(=O)c2ccccc2Sc2ccc(Br)cn2)CCN1 ZINC000237527350 565963059 /nfs/dbraw/zinc/96/30/59/565963059.db2.gz VDWKLFWZFBPGNO-LBPRGKRZSA-N 0 1 392.322 3.429 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)c2cc(Br)ccc2Br)n[nH]1 ZINC000286506301 565963825 /nfs/dbraw/zinc/96/38/25/565963825.db2.gz WXFCMMHFMFIYLZ-ZCFIWIBFSA-N 0 1 388.063 3.129 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CCN1 ZINC000237560987 565964021 /nfs/dbraw/zinc/96/40/21/565964021.db2.gz DZNCOWZBAXPDCA-LBPRGKRZSA-N 0 1 376.254 3.070 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2Br)n[nH]1 ZINC000286526660 565964468 /nfs/dbraw/zinc/96/44/68/565964468.db2.gz YGCJVRUWHYMLAO-LURJTMIESA-N 0 1 377.164 3.385 20 0 GGADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN[C@@H](C)C1 ZINC000237594324 565964832 /nfs/dbraw/zinc/96/48/32/565964832.db2.gz LGEKEYZSZUWLDA-LBPRGKRZSA-N 0 1 377.897 3.396 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000179216811 565965609 /nfs/dbraw/zinc/96/56/09/565965609.db2.gz MZOMPRAWMGJAJS-UHFFFAOYSA-N 0 1 391.313 3.049 20 0 GGADMN CCOC(=O)C[C@@H](Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(C)=O ZINC000286542204 565965664 /nfs/dbraw/zinc/96/56/64/565965664.db2.gz KTPWZGIPRILKAZ-CYBMUJFWSA-N 0 1 383.857 3.137 20 0 GGADMN COc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)c(Br)c1 ZINC000286527541 565965678 /nfs/dbraw/zinc/96/56/78/565965678.db2.gz NLCXOTLUZQUCTG-YJBOKZPZSA-N 0 1 380.282 3.032 20 0 GGADMN C[C@H](CN[C@H](C(N)=O)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000179217407 565965862 /nfs/dbraw/zinc/96/58/62/565965862.db2.gz KLAGJZBLUCKDLI-ACJLOTCBSA-N 0 1 388.309 3.016 20 0 GGADMN OCC[C@@H](CNCc1ncc(I)s1)c1ccccc1 ZINC000286586899 565969277 /nfs/dbraw/zinc/96/92/77/565969277.db2.gz QLLSLXNGSJQHHK-LBPRGKRZSA-N 0 1 388.274 3.004 20 0 GGADMN C[C@H]1CN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)CCN1 ZINC000237771826 565969893 /nfs/dbraw/zinc/96/98/93/565969893.db2.gz VGZWQJJIWPKWDP-NSHDSACASA-N 0 1 379.291 3.102 20 0 GGADMN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN[C@@H](C)C1 ZINC000237764867 565970407 /nfs/dbraw/zinc/97/04/07/565970407.db2.gz XNNCECCDVPBXSS-STQMWFEESA-N 0 1 379.913 3.437 20 0 GGADMN O=C(NCCc1ccc(Br)s1)c1cccc(-c2nnc[nH]2)c1 ZINC000179277622 565970886 /nfs/dbraw/zinc/97/08/86/565970886.db2.gz DLCPLWLARGZBBF-UHFFFAOYSA-N 0 1 377.267 3.268 20 0 GGADMN Cc1c(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cnn1C ZINC000179327830 565972420 /nfs/dbraw/zinc/97/24/20/565972420.db2.gz QBVOKFMFYFLMBY-UHFFFAOYSA-N 0 1 382.642 3.084 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179342697 565973457 /nfs/dbraw/zinc/97/34/57/565973457.db2.gz JJRPBYLPPVMBMV-CYBMUJFWSA-N 0 1 375.270 3.464 20 0 GGADMN O=C(Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)[C@H]1CNCCO1 ZINC000237895457 565973853 /nfs/dbraw/zinc/97/38/53/565973853.db2.gz JCNBRDWQJWZPSN-CQSZACIVSA-N 0 1 377.897 3.192 20 0 GGADMN Nc1c(Cl)cc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1Cl ZINC000179331302 565974075 /nfs/dbraw/zinc/97/40/75/565974075.db2.gz GSUOTUOCNPMWCN-UHFFFAOYSA-N 0 1 379.291 3.365 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179342686 565974170 /nfs/dbraw/zinc/97/41/70/565974170.db2.gz JJRPBYLPPVMBMV-ZDUSSCGKSA-N 0 1 375.270 3.464 20 0 GGADMN O=C(Cc1cccc(Br)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179338284 565974274 /nfs/dbraw/zinc/97/42/74/565974274.db2.gz NYWCKCRUJPXBLM-CQSZACIVSA-N 0 1 389.297 3.393 20 0 GGADMN Cc1ccc(Br)c(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000179346871 565974889 /nfs/dbraw/zinc/97/48/89/565974889.db2.gz NXQGKFGUMNKNFJ-AWEZNQCLSA-N 0 1 384.318 3.236 20 0 GGADMN CCCN1CCN(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000179366441 565975939 /nfs/dbraw/zinc/97/59/39/565975939.db2.gz VDJXEEHPOCOYGC-UHFFFAOYSA-N 0 1 392.301 3.194 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2cccc(Br)c2Cl)[C@H](C)C1 ZINC000286739208 565976873 /nfs/dbraw/zinc/97/68/73/565976873.db2.gz KUNVYLMMDHFERF-MNOVXSKESA-N 0 1 390.709 3.021 20 0 GGADMN N[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1 ZINC000238006026 565978084 /nfs/dbraw/zinc/97/80/84/565978084.db2.gz ILZAUVWOAXGWQL-SJORKVTESA-N 0 1 375.266 3.049 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(CC(=O)NC2CCOCC2)CC1 ZINC000362388707 565979885 /nfs/dbraw/zinc/97/98/85/565979885.db2.gz ICPBBMMVCAIILM-UHFFFAOYSA-N 0 1 395.341 3.098 20 0 GGADMN COCCCN(CCOC)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179448222 565980902 /nfs/dbraw/zinc/98/09/02/565980902.db2.gz IIUWQSYVVDTNLH-UHFFFAOYSA-N 0 1 382.302 3.120 20 0 GGADMN O=S(=O)(c1cncc(Cl)c1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000362753555 565982445 /nfs/dbraw/zinc/98/24/45/565982445.db2.gz PCTSJZDHGNAMHP-UHFFFAOYSA-N 0 1 394.806 3.045 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1F ZINC000241326143 565983667 /nfs/dbraw/zinc/98/36/67/565983667.db2.gz LZOBGNNROKRVGS-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN C[C@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccnc1Cl ZINC000286868596 565983578 /nfs/dbraw/zinc/98/35/78/565983578.db2.gz BPQUUFRVKAYQKW-QWHCGFSZSA-N 0 1 385.942 3.300 20 0 GGADMN CC1(C)CN(C(=O)Nc2ccc(Cl)cc2I)CCN1 ZINC000415281401 565983989 /nfs/dbraw/zinc/98/39/89/565983989.db2.gz INAFCDYSJVFKMY-UHFFFAOYSA-N 0 1 393.656 3.160 20 0 GGADMN O[C@@H](CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)c1ccccc1Br ZINC000179497563 565984508 /nfs/dbraw/zinc/98/45/08/565984508.db2.gz GXJFZLUFVBFTKG-BBRMVZONSA-N 0 1 391.313 3.358 20 0 GGADMN CC[C@H](NC(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1)c1ccc(Cl)s1 ZINC000286884525 565984775 /nfs/dbraw/zinc/98/47/75/565984775.db2.gz OPTUXJWHEPFGAE-WOPDTQHZSA-N 0 1 383.905 3.451 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)Nc2nc(SCc3ccccc3)ns2)n[nH]1 ZINC000286936397 565986947 /nfs/dbraw/zinc/98/69/47/565986947.db2.gz CAAADRAIJSUNIL-SECBINFHSA-N 0 1 375.483 3.140 20 0 GGADMN C[C@@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201115 565987723 /nfs/dbraw/zinc/98/77/23/565987723.db2.gz FRWALGCYYAITCO-RFQIPJPRSA-N 0 1 389.323 3.111 20 0 GGADMN COCCCNC(=O)C1CCN(Cc2ccc(C)c(Br)c2)CC1 ZINC000179533143 565988024 /nfs/dbraw/zinc/98/80/24/565988024.db2.gz TXSAABXYZKZIJZ-UHFFFAOYSA-N 0 1 383.330 3.122 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000245421747 565988415 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383.152 3.204 20 0 GGADMN CCC[C@H](CC)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179875879 566014115 /nfs/dbraw/zinc/01/41/15/566014115.db2.gz PRAYTDBRRJAMSY-NSHDSACASA-N 0 1 398.244 3.441 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246077627 566016008 /nfs/dbraw/zinc/01/60/08/566016008.db2.gz UNPHVYVGDYGMNR-KBPBESRZSA-N 0 1 398.345 3.491 20 0 GGADMN COc1cc(NC(=O)N2CCN3CCCC[C@H]3C2)cc(OC)c1Br ZINC000179911516 566018023 /nfs/dbraw/zinc/01/80/23/566018023.db2.gz RANKSTWJWFNKNT-ZDUSSCGKSA-N 0 1 398.301 3.168 20 0 GGADMN O=C(CN1CCS[C@@H]2CCCC[C@H]21)NCCc1nc2ccccc2s1 ZINC000246170487 566020040 /nfs/dbraw/zinc/02/00/40/566020040.db2.gz RUGRBPXZNMSNKY-NVXWUHKLSA-N 0 1 375.563 3.315 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(Br)cc1Br)c1nnc[nH]1 ZINC000179979852 566022766 /nfs/dbraw/zinc/02/27/66/566022766.db2.gz VGNSGGSLTISJJE-ZCFIWIBFSA-N 0 1 389.051 3.212 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(Br)cc1Br)c1nnc[nH]1 ZINC000179979836 566022949 /nfs/dbraw/zinc/02/29/49/566022949.db2.gz 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CC[C@@H]1CN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCN1C[C@H](C)O ZINC000247881714 566068017 /nfs/dbraw/zinc/06/80/17/566068017.db2.gz ZKWSFHKOIQEBOB-GZBFAFLISA-N 0 1 388.339 3.097 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)cc1 ZINC000247896236 566068229 /nfs/dbraw/zinc/06/82/29/566068229.db2.gz OWEKBZXIPRCONX-UHFFFAOYSA-N 0 1 392.297 3.134 20 0 GGADMN COc1ccc(Br)cc1CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000180504099 566068844 /nfs/dbraw/zinc/06/88/44/566068844.db2.gz ILYSSRRRBGKJIL-GFCCVEGCSA-N 0 1 388.269 3.284 20 0 GGADMN Cc1cccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1Cl ZINC000180522361 566070362 /nfs/dbraw/zinc/07/03/62/566070362.db2.gz QXDYJNPNPNDLSC-ZDUSSCGKSA-N 0 1 380.901 3.212 20 0 GGADMN C[C@@H](NC(=O)NCC1(c2ccc(Br)s2)CCC1)c1nnc[nH]1 ZINC000288481012 566075430 /nfs/dbraw/zinc/07/54/30/566075430.db2.gz QCSCHSQOLNQWNW-SECBINFHSA-N 0 1 384.303 3.111 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccccc1I ZINC000180589836 566075847 /nfs/dbraw/zinc/07/58/47/566075847.db2.gz 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O=S(=O)(c1ccc(Br)s1)N1CCCN(C2CCCC2)CC1 ZINC000180737346 566085448 /nfs/dbraw/zinc/08/54/48/566085448.db2.gz SSHDBSVCRLEHCN-UHFFFAOYSA-N 0 1 393.372 3.150 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000416553504 566085874 /nfs/dbraw/zinc/08/58/74/566085874.db2.gz IZYHSKOCTHGOOP-UHFFFAOYSA-N 0 1 381.498 3.121 20 0 GGADMN O[C@H](COc1ccc(Br)cc1)CN(Cc1cccnc1)C1CC1 ZINC000180746669 566085926 /nfs/dbraw/zinc/08/59/26/566085926.db2.gz XJJRATJVMNWUOI-KRWDZBQOSA-N 0 1 377.282 3.248 20 0 GGADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2ncccc2c1 ZINC000416548852 566085995 /nfs/dbraw/zinc/08/59/95/566085995.db2.gz CEBXNTGROITAPV-UHFFFAOYSA-N 0 1 375.519 3.049 20 0 GGADMN C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000416548825 566086255 /nfs/dbraw/zinc/08/62/55/566086255.db2.gz CAYZKCGXPCFWJD-NSHDSACASA-N 0 1 384.851 3.369 20 0 GGADMN C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000416548825 566086268 /nfs/dbraw/zinc/08/62/68/566086268.db2.gz 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566091192 /nfs/dbraw/zinc/09/11/92/566091192.db2.gz XUTOZHMAJUIFAH-RISCZKNCSA-N 0 1 376.316 3.076 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000180823226 566091600 /nfs/dbraw/zinc/09/16/00/566091600.db2.gz FVVKVYGLDRZYNX-CQSZACIVSA-N 0 1 391.313 3.139 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ncc(Br)s1 ZINC000248860102 566091921 /nfs/dbraw/zinc/09/19/21/566091921.db2.gz LWSMTMKTNLEHGV-WCQYABFASA-N 0 1 380.311 3.156 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCSc2ccc(Br)cc21 ZINC000180827395 566092089 /nfs/dbraw/zinc/09/20/89/566092089.db2.gz VIZMRQMADKWPJA-GXFFZTMASA-N 0 1 378.357 3.399 20 0 GGADMN CCOc1cc(CN(C)CCNC(=O)C(C)C)cc(Br)c1OC ZINC000180838436 566092828 /nfs/dbraw/zinc/09/28/28/566092828.db2.gz YRSRVIXCSWZUQQ-UHFFFAOYSA-N 0 1 387.318 3.060 20 0 GGADMN O=C(Nc1ccsc1Cl)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000249001022 566093688 /nfs/dbraw/zinc/09/36/88/566093688.db2.gz PKOYLFPHMDJQAN-ZBFHGGJFSA-N 0 1 379.913 3.406 20 0 GGADMN COC[C@H](NCCOc1cccc(S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000288925017 566096595 /nfs/dbraw/zinc/09/65/95/566096595.db2.gz VIRHEVDHFMGGNJ-SFHVURJKSA-N 0 1 383.897 3.100 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000180884886 566097000 /nfs/dbraw/zinc/09/70/00/566097000.db2.gz OTWMPFUJEOXDRV-VIFPVBQESA-N 0 1 389.365 3.410 20 0 GGADMN O=C([N-]CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C(F)(F)F ZINC000180884886 566097005 /nfs/dbraw/zinc/09/70/05/566097005.db2.gz OTWMPFUJEOXDRV-VIFPVBQESA-N 0 1 389.365 3.410 20 0 GGADMN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccc(C)cn2)cc1Br ZINC000180906204 566097842 /nfs/dbraw/zinc/09/78/42/566097842.db2.gz XZAVCGXRQIYOER-UHFFFAOYSA-N 0 1 398.282 3.220 20 0 GGADMN CS(=O)(=O)CCOCCN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000180919209 566098786 /nfs/dbraw/zinc/09/87/86/566098786.db2.gz GEZCUVAAMAPHGT-GOSISDBHSA-N 0 1 385.888 3.219 20 0 GGADMN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccnc(C)c2)cc1Br ZINC000180907633 566098826 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O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000180933977 566100948 /nfs/dbraw/zinc/10/09/48/566100948.db2.gz KKHVAHIUGIYVCX-LLVKDONJSA-N 0 1 394.806 3.393 20 0 GGADMN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCCC[C@H]1c1nnc[nH]1 ZINC000180933995 566101271 /nfs/dbraw/zinc/10/12/71/566101271.db2.gz KKHVAHIUGIYVCX-NSHDSACASA-N 0 1 394.806 3.393 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCN1CC(C)(C)O ZINC000249387205 566101734 /nfs/dbraw/zinc/10/17/34/566101734.db2.gz QCKUQJLCKMMCNM-WQVCFCJDSA-N 0 1 385.335 3.401 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCN1CC(C)(C)O ZINC000249387201 566101789 /nfs/dbraw/zinc/10/17/89/566101789.db2.gz QCKUQJLCKMMCNM-UHOFOFEASA-N 0 1 385.335 3.401 20 0 GGADMN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc(Br)s1 ZINC000416665383 566101967 /nfs/dbraw/zinc/10/19/67/566101967.db2.gz UZVGCGHIEFLZJM-UHFFFAOYSA-N 0 1 381.361 3.006 20 0 GGADMN C[C@@H]1C[C@H](N[C@@H]2CCN(c3cnn(C)c3)C2=O)c2cccc(Br)c21 ZINC000180958349 566102368 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Cc1nnc(SCCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000181027523 566106724 /nfs/dbraw/zinc/10/67/24/566106724.db2.gz WBFAQSJOVVJYGY-UKRRQHHQSA-N 0 1 384.864 3.034 20 0 GGADMN O[C@@]1(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)CCOC1 ZINC000181019377 566107161 /nfs/dbraw/zinc/10/71/61/566107161.db2.gz IHRCFPAPKHTHQM-QZTJIDSGSA-N 0 1 380.257 3.419 20 0 GGADMN CC(=O)NC[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000249817123 566107725 /nfs/dbraw/zinc/10/77/25/566107725.db2.gz LGBSCDJLWNNBJJ-OCCSQVGLSA-N 0 1 386.323 3.019 20 0 GGADMN CCC[C@@H](NCc1cnc([C@@H](C)O)s1)C(=O)N1CCc2sccc2C1 ZINC000289160412 566109370 /nfs/dbraw/zinc/10/93/70/566109370.db2.gz DNFCONKFJSIHTH-IUODEOHRSA-N 0 1 379.551 3.101 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000416883393 566109695 /nfs/dbraw/zinc/10/96/95/566109695.db2.gz BMYRNUIRNRFIAB-JSGCOSHPSA-N 0 1 384.318 3.302 20 0 GGADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ncc(C(C)C)s3)ccc21 ZINC000365620529 566110854 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COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(SC)cc1OC ZINC000289264492 566115294 /nfs/dbraw/zinc/11/52/94/566115294.db2.gz FUZPOIYLBPATBB-OLZOCXBDSA-N 0 1 379.444 3.418 20 0 GGADMN COCCOc1ccc(S(=O)(=O)Nc2c(OC)cccc2SC)cc1 ZINC000416958669 566115646 /nfs/dbraw/zinc/11/56/46/566115646.db2.gz PJIDFNXCOBWZAU-UHFFFAOYSA-N 0 1 383.491 3.243 20 0 GGADMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000289332472 566117258 /nfs/dbraw/zinc/11/72/58/566117258.db2.gz YJWASQFDIYXYQY-CABCVRRESA-N 0 1 390.285 3.395 20 0 GGADMN CC(C)[C@@H](N[C@@H](C)CC(=O)Nc1ccc(Br)cc1)c1nncn1C ZINC000289334969 566117520 /nfs/dbraw/zinc/11/75/20/566117520.db2.gz HCPHWTIHJAEZJX-BLLLJJGKSA-N 0 1 394.317 3.282 20 0 GGADMN OCC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000253358762 566118121 /nfs/dbraw/zinc/11/81/21/566118121.db2.gz RUYATULFVVVKDD-UONOGXRCSA-N 0 1 392.721 3.079 20 0 GGADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181173048 566121971 /nfs/dbraw/zinc/12/19/71/566121971.db2.gz AVHHGDPIEIFLJU-BXUZGUMPSA-N 0 1 379.258 3.088 20 0 GGADMN CC(C)CN1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000255951731 566122272 /nfs/dbraw/zinc/12/22/72/566122272.db2.gz QGFRFVRBXJEWJW-UHFFFAOYSA-N 0 1 383.330 3.408 20 0 GGADMN CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000289431595 566122707 /nfs/dbraw/zinc/12/27/07/566122707.db2.gz DGIWBFVVYHMOIU-VIFPVBQESA-N 0 1 394.280 3.341 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(F)c(Br)c3)C2=O)n(C)n1 ZINC000181190535 566122768 /nfs/dbraw/zinc/12/27/68/566122768.db2.gz MWDDEWXEQTXQAS-IAQYHMDHSA-N 0 1 395.276 3.086 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(F)c(Br)c3)C2=O)n(C)n1 ZINC000181190519 566122810 /nfs/dbraw/zinc/12/28/10/566122810.db2.gz MWDDEWXEQTXQAS-ABAIWWIYSA-N 0 1 395.276 3.086 20 0 GGADMN CN(C)S(=O)(=O)c1ccc2oc(SCC[C@H]3CCCC[N@H+]3C)nc2c1 ZINC000255936926 566123041 /nfs/dbraw/zinc/12/30/41/566123041.db2.gz FLQUEZMNCJOQOZ-CYBMUJFWSA-N 0 1 383.539 3.045 20 0 GGADMN CN(C[C@H](O)COc1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000255958009 566123072 /nfs/dbraw/zinc/12/30/72/566123072.db2.gz MGESHFNLPDMHCI-AGRHKRQWSA-N 0 1 382.287 3.323 20 0 GGADMN CCCN(CC(=O)OCC)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000261391178 566123840 /nfs/dbraw/zinc/12/38/40/566123840.db2.gz RQKSBSGEQXGVAL-UHFFFAOYSA-N 0 1 394.269 3.255 20 0 GGADMN NC1(c2noc(-c3ccc(S(=O)(=O)c4ccccc4)s3)n2)CCCC1 ZINC000261614839 566124743 /nfs/dbraw/zinc/12/47/43/566124743.db2.gz BGBXULRPTGISDI-UHFFFAOYSA-N 0 1 375.475 3.359 20 0 GGADMN Cc1ccc(CCC(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)s1 ZINC000365888119 566124851 /nfs/dbraw/zinc/12/48/51/566124851.db2.gz KDBNSOFROHLFME-OAHLLOKOSA-N 0 1 379.848 3.201 20 0 GGADMN FC(F)C(F)(F)COCCNCc1cn2ccc(Br)cc2n1 ZINC000289492299 566125115 /nfs/dbraw/zinc/12/51/15/566125115.db2.gz LBHDAWGRYZOIEJ-UHFFFAOYSA-N 0 1 384.171 3.103 20 0 GGADMN COc1cccc2c1CC[C@@H]2NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261619439 566125263 /nfs/dbraw/zinc/12/52/63/566125263.db2.gz ARKCVXWJOWRQHO-QFBILLFUSA-N 0 1 389.293 3.435 20 0 GGADMN O=C(Nc1cccc(Cl)c1F)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289497061 566125389 /nfs/dbraw/zinc/12/53/89/566125389.db2.gz LOEDDXIHXAXJAM-SECBINFHSA-N 0 1 381.757 3.402 20 0 GGADMN C[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1cccc(F)c1 ZINC000261633304 566126391 /nfs/dbraw/zinc/12/63/91/566126391.db2.gz BYECIRXRAZDANR-SGTLLEGYSA-N 0 1 395.272 3.346 20 0 GGADMN O=C(CCCOc1cccc(Br)c1)N1CCC(c2nc[nH]n2)CC1 ZINC000365913825 566126429 /nfs/dbraw/zinc/12/64/29/566126429.db2.gz HCPGAFXNJXZQSA-UHFFFAOYSA-N 0 1 393.285 3.132 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000365914824 566126601 /nfs/dbraw/zinc/12/66/01/566126601.db2.gz ZQLOQHPWLZUUIO-NSHDSACASA-N 0 1 395.326 3.454 20 0 GGADMN COc1cccc2c1CC[C@H]2NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261619442 566126883 /nfs/dbraw/zinc/12/68/83/566126883.db2.gz ARKCVXWJOWRQHO-VQIMIIECSA-N 0 1 389.293 3.435 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000261654464 566127823 /nfs/dbraw/zinc/12/78/23/566127823.db2.gz DSZFYVKYUFRFIJ-MJGOQNOKSA-N 0 1 389.293 3.223 20 0 GGADMN C[C@@](N)(C(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000261654457 566127880 /nfs/dbraw/zinc/12/78/80/566127880.db2.gz DSZFYVKYUFRFIJ-HKUYNNGSSA-N 0 1 389.293 3.223 20 0 GGADMN CCOc1ccccc1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261661613 566128024 /nfs/dbraw/zinc/12/80/24/566128024.db2.gz FGEANNUGRKESFK-SFHVURJKSA-N 0 1 377.282 3.338 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000261639435 566128157 /nfs/dbraw/zinc/12/81/57/566128157.db2.gz CLNWPICPZUFDMA-OAHLLOKOSA-N 0 1 383.315 3.411 20 0 GGADMN CCS(=O)(=O)C[C@H](C)NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365956338 566129078 /nfs/dbraw/zinc/12/90/78/566129078.db2.gz ROIHARLJMCAHCP-NSHDSACASA-N 0 1 375.416 3.008 20 0 GGADMN CCc1noc(CC)c1CNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261674731 566129109 /nfs/dbraw/zinc/12/91/09/566129109.db2.gz GJGWYOROHTUZEQ-KRWDZBQOSA-N 0 1 380.286 3.052 20 0 GGADMN CCOCc1ccccc1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261672609 566129285 /nfs/dbraw/zinc/12/92/85/566129285.db2.gz GDGURZADBDSICW-LJQANCHMSA-N 0 1 391.309 3.476 20 0 GGADMN CCc1noc(CC)c1CNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261674734 566129472 /nfs/dbraw/zinc/12/94/72/566129472.db2.gz GJGWYOROHTUZEQ-QGZVFWFLSA-N 0 1 380.286 3.052 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(C)ccc2Br)CCN1C[C@@H](C)O ZINC000181285963 566129879 /nfs/dbraw/zinc/12/98/79/566129879.db2.gz HZGWYWHQRPGWLR-KGLIPLIRSA-N 0 1 384.318 3.066 20 0 GGADMN CCc1nc(CCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cs1 ZINC000261722571 566130813 /nfs/dbraw/zinc/13/08/13/566130813.db2.gz KFQIHHKKAQWHKU-INIZCTEOSA-N 0 1 382.327 3.001 20 0 GGADMN C[C@@H](CNC(=O)[C@](C)(N)c1ccc(Br)cc1)Oc1ccc(F)cc1 ZINC000261714897 566130823 /nfs/dbraw/zinc/13/08/23/566130823.db2.gz JPQNCKLKXIEGDC-KPZWWZAWSA-N 0 1 395.272 3.346 20 0 GGADMN CC(C)COC1CCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261733306 566131793 /nfs/dbraw/zinc/13/17/93/566131793.db2.gz LDUBLNXUGFZJRK-GOSISDBHSA-N 0 1 383.330 3.287 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)c(C)c1F ZINC000181323022 566132683 /nfs/dbraw/zinc/13/26/83/566132683.db2.gz YDDUIJGXQKPLIQ-UHFFFAOYSA-N 0 1 389.246 3.409 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@@H](n2cccn2)C1 ZINC000366059752 566132743 /nfs/dbraw/zinc/13/27/43/566132743.db2.gz LNCIFOUVISMDRR-CYBMUJFWSA-N 0 1 386.253 3.123 20 0 GGADMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000289656780 566134106 /nfs/dbraw/zinc/13/41/06/566134106.db2.gz UBFVRPPYGHQRDK-UHFFFAOYSA-N 0 1 395.352 3.115 20 0 GGADMN Cn1cc([C@H](O)CNCc2cc(C(F)(F)F)ccc2Br)cn1 ZINC000289663119 566134463 /nfs/dbraw/zinc/13/44/63/566134463.db2.gz ZBJBLEFVWBCCGR-CYBMUJFWSA-N 0 1 378.192 3.025 20 0 GGADMN NC1(c2noc(-c3ccc(Cl)c(I)c3)n2)CCC1 ZINC000261810198 566134757 /nfs/dbraw/zinc/13/47/57/566134757.db2.gz PUYLYPJHHCNAAY-UHFFFAOYSA-N 0 1 375.597 3.333 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(Br)c1 ZINC000181357563 566134717 /nfs/dbraw/zinc/13/47/17/566134717.db2.gz KIEHLQLSTGSVNX-GXTWGEPZSA-N 0 1 393.285 3.397 20 0 GGADMN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)nc1 ZINC000289676651 566135164 /nfs/dbraw/zinc/13/51/64/566135164.db2.gz JKKOROAZQPKPFS-GFCCVEGCSA-N 0 1 383.311 3.240 20 0 GGADMN CSc1cc2c(cc1CN1CCC[C@@](O)(C(F)(F)F)CC1)OCCO2 ZINC000289695061 566135240 /nfs/dbraw/zinc/13/52/40/566135240.db2.gz OJJSKCKMKJELJM-INIZCTEOSA-N 0 1 377.428 3.459 20 0 GGADMN C[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)Oc1ccccc1 ZINC000261801461 566135416 /nfs/dbraw/zinc/13/54/16/566135416.db2.gz QXDCKBJVYNYYIF-UGSOOPFHSA-N 0 1 377.282 3.207 20 0 GGADMN COCc1cccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1 ZINC000261803796 566135521 /nfs/dbraw/zinc/13/55/21/566135521.db2.gz RGGDACWYDHZSRG-SFHVURJKSA-N 0 1 377.282 3.086 20 0 GGADMN O=C(Nc1cccc(F)c1Cl)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289701196 566136188 /nfs/dbraw/zinc/13/61/88/566136188.db2.gz IQEUQUULFPJVTI-VIFPVBQESA-N 0 1 381.757 3.402 20 0 GGADMN C[C@](N)(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000261846889 566137668 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CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2nc(C3CC3)ncc2Br)n[nH]1 ZINC000291789848 566234776 /nfs/dbraw/zinc/23/47/76/566234776.db2.gz PLUNKAUKSDYECE-RKDXNWHRSA-N 0 1 393.289 3.239 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 ZINC000183016132 566235010 /nfs/dbraw/zinc/23/50/10/566235010.db2.gz PNDDZWWEFHMHEN-MNOVXSKESA-N 0 1 386.926 3.483 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000183016151 566235026 /nfs/dbraw/zinc/23/50/26/566235026.db2.gz PNDDZWWEFHMHEN-WDEREUQCSA-N 0 1 386.926 3.483 20 0 GGADMN C[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Cl)s1 ZINC000183016895 566235080 /nfs/dbraw/zinc/23/50/80/566235080.db2.gz VMTDRHAOOZQYAB-SECBINFHSA-N 0 1 397.291 3.320 20 0 GGADMN O=C(c1s[n-]c(=O)c1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368322997 566236297 /nfs/dbraw/zinc/23/62/97/566236297.db2.gz XKXUCXXUYBSSLA-KBPBESRZSA-N 0 1 377.897 3.096 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(Br)cn1)[C@@H]1OCCc2sccc21 ZINC000368354224 566237033 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ZINC000368512854 566240542 /nfs/dbraw/zinc/24/05/42/566240542.db2.gz YACVARQYRKOUNH-KOLCDFICSA-N 0 1 386.258 3.402 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)c1nnc[nH]1 ZINC000183200796 566240595 /nfs/dbraw/zinc/24/05/95/566240595.db2.gz GTRUSPBSXWLMKP-LLVKDONJSA-N 0 1 378.841 3.290 20 0 GGADMN O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc(F)cc1Cl ZINC000368505525 566240627 /nfs/dbraw/zinc/24/06/27/566240627.db2.gz YUHFCWVMBOHWII-CYBMUJFWSA-N 0 1 384.173 3.304 20 0 GGADMN O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1ccc(F)cc1Cl ZINC000368505525 566240630 /nfs/dbraw/zinc/24/06/30/566240630.db2.gz YUHFCWVMBOHWII-CYBMUJFWSA-N 0 1 384.173 3.304 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)Cc1cc(C)[nH]n1 ZINC000183190802 566240698 /nfs/dbraw/zinc/24/06/98/566240698.db2.gz SEJIVZCFJIPPEK-UHFFFAOYSA-N 0 1 382.258 3.077 20 0 GGADMN CCc1ocnc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000265700214 566240933 /nfs/dbraw/zinc/24/09/33/566240933.db2.gz JXLWNKPHHMQMCP-UHFFFAOYSA-N 0 1 393.285 3.004 20 0 GGADMN Cc1nc(C)c(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)s1 ZINC000368542194 566241119 /nfs/dbraw/zinc/24/11/19/566241119.db2.gz FAQMLFPYNBCSIB-DOTOQJQBSA-N 0 1 377.535 3.065 20 0 GGADMN CC(C)[C@H](O)C1(CNCc2ccc(F)cc2I)CC1 ZINC000419672529 566241173 /nfs/dbraw/zinc/24/11/73/566241173.db2.gz ASRVIUMJIGCSNH-AWEZNQCLSA-N 0 1 377.241 3.317 20 0 GGADMN CC(=O)NC[C@H]1CCCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000183249640 566241939 /nfs/dbraw/zinc/24/19/39/566241939.db2.gz CJOZWCIYEMIXPR-CQSZACIVSA-N 0 1 376.298 3.345 20 0 GGADMN CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n[nH]1 ZINC000183279999 566242443 /nfs/dbraw/zinc/24/24/43/566242443.db2.gz DIKDEDURRLXHLR-VXGBXAGGSA-N 0 1 378.226 3.091 20 0 GGADMN OC[C@@H](CC1CCC1)NCc1c(Br)cncc1Br ZINC000419736193 566243035 /nfs/dbraw/zinc/24/30/35/566243035.db2.gz WUBGSDQXTABKPW-SNVBAGLBSA-N 0 1 378.108 3.247 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1nc(C(F)(F)F)cs1)c1ccsc1 ZINC000265888022 566243085 /nfs/dbraw/zinc/24/30/85/566243085.db2.gz DNUBAIWSLFPVMF-SNVBAGLBSA-N 0 1 378.445 3.326 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cnn1C ZINC000183304139 566243764 /nfs/dbraw/zinc/24/37/64/566243764.db2.gz QYNINEZYZISVAR-RYUDHWBXSA-N 0 1 379.302 3.477 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c[nH]c(=O)c(Br)c1 ZINC000265994110 566244490 /nfs/dbraw/zinc/24/44/90/566244490.db2.gz BOKRTSOBNLVDAW-CQSZACIVSA-N 0 1 394.269 3.100 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cnn1C ZINC000183339915 566244752 /nfs/dbraw/zinc/24/47/52/566244752.db2.gz FIUDPZOQZFJJLI-STQMWFEESA-N 0 1 393.329 3.189 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)cnn1C ZINC000183339934 566244756 /nfs/dbraw/zinc/24/47/56/566244756.db2.gz FIUDPZOQZFJJLI-CHWSQXEVSA-N 0 1 393.329 3.189 20 0 GGADMN CN1CCCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 ZINC000266020675 566245049 /nfs/dbraw/zinc/24/50/49/566245049.db2.gz JYKYSALYENNIEX-UHFFFAOYSA-N 0 1 381.263 3.353 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC(=O)N1CCOCC1 ZINC000183354030 566245192 /nfs/dbraw/zinc/24/51/92/566245192.db2.gz DFHFHGYPWOACPD-LBPRGKRZSA-N 0 1 379.913 3.281 20 0 GGADMN CCC1(O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000266064027 566245312 /nfs/dbraw/zinc/24/53/12/566245312.db2.gz BCGPJJRLZCMCQG-UHFFFAOYSA-N 0 1 378.270 3.216 20 0 GGADMN O=S1(=O)CCC[C@@H](NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000183413277 566246254 /nfs/dbraw/zinc/24/62/54/566246254.db2.gz CEAIJDQMEPUYRH-LLVKDONJSA-N 0 1 386.233 3.135 20 0 GGADMN CC(=O)NCc1ccc(-c2nc([C@H]3CN4CCC[C@H]4CO3)sc2C)s1 ZINC000368892666 566246952 /nfs/dbraw/zinc/24/69/52/566246952.db2.gz QOCMEIGQKCECNX-DZGCQCFKSA-N 0 1 377.535 3.352 20 0 GGADMN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000183434759 566247059 /nfs/dbraw/zinc/24/70/59/566247059.db2.gz TUZIJSCXLVWGJQ-UONOGXRCSA-N 0 1 392.297 3.462 20 0 GGADMN Brc1ccc2ncc(CNCc3ccnc(N4CCCC4)c3)n2c1 ZINC000266209831 566247201 /nfs/dbraw/zinc/24/72/01/566247201.db2.gz NXMPUAOFWJWNKA-UHFFFAOYSA-N 0 1 386.297 3.382 20 0 GGADMN CCN(CC)C(=O)CCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183460515 566247320 /nfs/dbraw/zinc/24/73/20/566247320.db2.gz LNAYLBDAUZLLAG-UHFFFAOYSA-N 0 1 384.311 3.312 20 0 GGADMN COc1c(Br)c(C)sc1C(=O)N1CCCN(C(C)C)CC1 ZINC000266301002 566248570 /nfs/dbraw/zinc/24/85/70/566248570.db2.gz QWPKPUVKAZVSGE-UHFFFAOYSA-N 0 1 375.332 3.384 20 0 GGADMN C[C@H](CNC(=O)[C@H]1CCCc2[nH]cnc21)Oc1ccccc1Br ZINC000369133131 566249874 /nfs/dbraw/zinc/24/98/74/566249874.db2.gz AFBOIEZQNNESAM-NEPJUHHUSA-N 0 1 378.270 3.176 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H]1CCCC[C@H]1F ZINC000419818257 566250430 /nfs/dbraw/zinc/25/04/30/566250430.db2.gz MEGXFQGMDDBJRI-KCPJHIHWSA-N 0 1 387.293 3.333 20 0 GGADMN C[C@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(Br)cc1 ZINC000444743114 566250386 /nfs/dbraw/zinc/25/03/86/566250386.db2.gz HMPGRGKWRMDLLQ-SUMWQHHRSA-N 0 1 389.293 3.220 20 0 GGADMN COC(=O)C1(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)CCCCC1 ZINC000444744983 566250446 /nfs/dbraw/zinc/25/04/46/566250446.db2.gz PGGQDNPQWCIODY-ZDUSSCGKSA-N 0 1 397.313 3.092 20 0 GGADMN O[C@H]([C@@H]1CCCN(CCOc2cccc(Br)c2)C1)C(F)(F)F ZINC000444736180 566250799 /nfs/dbraw/zinc/25/07/99/566250799.db2.gz QBMCIXYOPQWOSM-BXUZGUMPSA-N 0 1 382.220 3.463 20 0 GGADMN C[C@@H]1CN(C(=O)CN[C@H](c2cc(F)cc(Br)c2)C2CC2)C[C@H](C)O1 ZINC000481750154 566250885 /nfs/dbraw/zinc/25/08/85/566250885.db2.gz XVPPIHAUEUIFQG-IUUKEHGRSA-N 0 1 399.304 3.265 20 0 GGADMN COc1ccc(O)c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c1 ZINC000534700731 566250966 /nfs/dbraw/zinc/25/09/66/566250966.db2.gz PFVYIORZJHVCRW-UHFFFAOYSA-N 0 1 389.205 3.257 20 0 GGADMN CC(=O)[C@H](NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(C)C ZINC000481758568 566251341 /nfs/dbraw/zinc/25/13/41/566251341.db2.gz UULSGPBZGWSWIT-QZTJIDSGSA-N 0 1 399.304 3.359 20 0 GGADMN Cc1[nH]c(SC[C@@H]2CCCN(S(C)(=O)=O)C2)nc1Cc1ccccc1 ZINC000481762479 566251657 /nfs/dbraw/zinc/25/16/57/566251657.db2.gz TXISQABQJOHNPS-MRXNPFEDSA-N 0 1 379.551 3.073 20 0 GGADMN COc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(Br)s1 ZINC000444765841 566251878 /nfs/dbraw/zinc/25/18/78/566251878.db2.gz LIOPYQWGPDUGJA-NSHDSACASA-N 0 1 383.311 3.486 20 0 GGADMN OCCN(Cc1coc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000444777756 566251940 /nfs/dbraw/zinc/25/19/40/566251940.db2.gz QLJPEBURXWLGOT-UHFFFAOYSA-N 0 1 381.270 3.077 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(C)C)c1F ZINC000599288309 566252050 /nfs/dbraw/zinc/25/20/50/566252050.db2.gz QAVRJAOPQRPXBQ-JTQLQIEISA-N 0 1 389.342 3.007 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1CC[C@@H]1CCNC1=O ZINC000575119785 566252834 /nfs/dbraw/zinc/25/28/34/566252834.db2.gz MYJZGODZUJBFEW-LRDDRELGSA-N 0 1 384.307 3.313 20 0 GGADMN CC[C@@H]1CN([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C[C@H]1O ZINC000508980472 566253032 /nfs/dbraw/zinc/25/30/32/566253032.db2.gz WOWCJAATIRGRQA-HYVNUMGLSA-N 0 1 395.341 3.264 20 0 GGADMN CC(C)N(Cc1ccc(Br)cn1)C[C@H](O)COc1ccccc1 ZINC000444805910 566253114 /nfs/dbraw/zinc/25/31/14/566253114.db2.gz VEWCPXAMPWCGJM-KRWDZBQOSA-N 0 1 379.298 3.494 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575123151 566253460 /nfs/dbraw/zinc/25/34/60/566253460.db2.gz ZAKFRGABPLUHTI-YPMHNXCESA-N 0 1 394.269 3.108 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000575123151 566253465 /nfs/dbraw/zinc/25/34/65/566253465.db2.gz ZAKFRGABPLUHTI-YPMHNXCESA-N 0 1 394.269 3.108 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CCC[C@@](C)(O)C2)C1=O ZINC000508979196 566253643 /nfs/dbraw/zinc/25/36/43/566253643.db2.gz REZBKWWWLMFKQG-VQIMIIECSA-N 0 1 395.341 3.408 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000575124752 566253714 /nfs/dbraw/zinc/25/37/14/566253714.db2.gz DWZSJYSZMPYYLQ-GHMZBOCLSA-N 0 1 383.926 3.036 20 0 GGADMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1CC[C@H]1CCNC1=O ZINC000575119786 566253734 /nfs/dbraw/zinc/25/37/34/566253734.db2.gz MYJZGODZUJBFEW-MLGOLLRUSA-N 0 1 384.307 3.313 20 0 GGADMN Cc1ccc(NC(=O)c2ccc3cncn3c2)cc1I ZINC000555844901 566253980 /nfs/dbraw/zinc/25/39/80/566253980.db2.gz QKBLJAIALWRGQP-UHFFFAOYSA-N 0 1 377.185 3.500 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000648280500 566255124 /nfs/dbraw/zinc/25/51/24/566255124.db2.gz ZYQMEBCGEBSWIA-SNVBAGLBSA-N 0 1 393.684 3.082 20 0 GGADMN CNS(=O)(=O)NC1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000575170699 566255537 /nfs/dbraw/zinc/25/55/37/566255537.db2.gz VYPKHMOCNTUSLF-UHFFFAOYSA-N 0 1 399.969 3.087 20 0 GGADMN CCOCCC1(CNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000575167831 566255700 /nfs/dbraw/zinc/25/57/00/566255700.db2.gz URKUQPIHBYKCHP-UHFFFAOYSA-N 0 1 379.302 3.326 20 0 GGADMN CCc1cc(Br)ccc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444876615 566255718 /nfs/dbraw/zinc/25/57/18/566255718.db2.gz NMZZORJQQMJYJE-ZDUSSCGKSA-N 0 1 398.345 3.320 20 0 GGADMN CCOC(=O)C[C@@H](O)CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000599372169 566256642 /nfs/dbraw/zinc/25/66/42/566256642.db2.gz TYHIDBZUORWXIS-CHWSQXEVSA-N 0 1 398.219 3.346 20 0 GGADMN CCOC(=O)C[C@H](O)CN[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000599372172 566257514 /nfs/dbraw/zinc/25/75/14/566257514.db2.gz TYHIDBZUORWXIS-STQMWFEESA-N 0 1 398.219 3.346 20 0 GGADMN CC(C)(COc1ncccc1Br)NC(=O)c1ccc2cncn2c1 ZINC000555886786 566258064 /nfs/dbraw/zinc/25/80/64/566258064.db2.gz UEQLNNPJKAGWTA-UHFFFAOYSA-N 0 1 389.253 3.079 20 0 GGADMN O=C(CCc1cc(Cl)cs1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534840414 566258173 /nfs/dbraw/zinc/25/81/73/566258173.db2.gz GYYXZQHAGFJEAZ-IAGOWNOFSA-N 0 1 378.925 3.086 20 0 GGADMN CC1(c2cccc(Br)c2)CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000509053311 566258147 /nfs/dbraw/zinc/25/81/47/566258147.db2.gz HJWWFGAIWJYYNZ-KRWDZBQOSA-N 0 1 395.341 3.098 20 0 GGADMN COc1cccc2c1CCN(C(=O)[C@@](C)(N)c1ccc(Br)cc1)C2 ZINC000575181830 566258341 /nfs/dbraw/zinc/25/83/41/566258341.db2.gz FFFWASSKWHQJOK-IBGZPJMESA-N 0 1 389.293 3.217 20 0 GGADMN COc1cc(C)[nH+]c(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1 ZINC000575188069 566258367 /nfs/dbraw/zinc/25/83/67/566258367.db2.gz IVYVIPHOTDXTMF-QGZVFWFLSA-N 0 1 391.265 3.173 20 0 GGADMN COc1ccc(Br)cc1CN(C)C[C@@H](O)COc1ccccc1F ZINC000555889546 566258719 /nfs/dbraw/zinc/25/87/19/566258719.db2.gz WEPQDQRHAPSKQK-OAHLLOKOSA-N 0 1 398.272 3.469 20 0 GGADMN CC(C)c1nc(CN2C(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)n[nH]1 ZINC000420020161 566258620 /nfs/dbraw/zinc/25/86/20/566258620.db2.gz RYMDAHRNJIHPOQ-ZDUSSCGKSA-N 0 1 382.251 3.370 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)Nc2cccc(-c3nnc[nH]3)c2)n1 ZINC000668716411 566258810 /nfs/dbraw/zinc/25/88/10/566258810.db2.gz WFZLUUILROFJFL-UHFFFAOYSA-N 0 1 389.257 3.438 20 0 GGADMN CNS(=O)(=O)c1cc(NC(=O)CCCCCc2cccs2)ccc1O ZINC000509057873 566259317 /nfs/dbraw/zinc/25/93/17/566259317.db2.gz QHJORYTYGMPOPJ-UHFFFAOYSA-N 0 1 382.507 3.103 20 0 GGADMN Cc1cccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1Br ZINC000444905457 566259566 /nfs/dbraw/zinc/25/95/66/566259566.db2.gz QYOLEEWDXYABCR-ZDUSSCGKSA-N 0 1 384.318 3.066 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000575208984 566260015 /nfs/dbraw/zinc/26/00/15/566260015.db2.gz GIVCOTIHFPCARS-AWEZNQCLSA-N 0 1 378.567 3.343 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000575208985 566260227 /nfs/dbraw/zinc/26/02/27/566260227.db2.gz GIVCOTIHFPCARS-CQSZACIVSA-N 0 1 378.567 3.343 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CC[N@H+]1C ZINC000481902176 566260914 /nfs/dbraw/zinc/26/09/14/566260914.db2.gz GOKIQRWXUSVYGP-ZJUUUORDSA-N 0 1 383.880 3.024 20 0 GGADMN CC(C)c1nc(CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)n[nH]1 ZINC000420024784 566261687 /nfs/dbraw/zinc/26/16/87/566261687.db2.gz ZFKUJTNMYYNDLT-INIZCTEOSA-N 0 1 382.251 3.202 20 0 GGADMN COCCOc1c(Cl)cccc1NS(=O)(=O)CCc1cccs1 ZINC000575225227 566262367 /nfs/dbraw/zinc/26/23/67/566262367.db2.gz GAANUJHHFHWNOJ-UHFFFAOYSA-N 0 1 375.899 3.411 20 0 GGADMN O=C(C[C@H]1CCOC1)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000575234509 566263632 /nfs/dbraw/zinc/26/36/32/566263632.db2.gz VVBOHQHNUCCADT-LLVKDONJSA-N 0 1 384.454 3.053 20 0 GGADMN CC(=O)N[C@@H](C)C1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000509119277 566264640 /nfs/dbraw/zinc/26/46/40/566264640.db2.gz BQDNOQPHHSFHAN-NSHDSACASA-N 0 1 380.286 3.327 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](O)[C@H](C)c2ccccc2)cc1O ZINC000668752992 566264710 /nfs/dbraw/zinc/26/47/10/566264710.db2.gz ZQLUGONXDQLWAB-SJKOYZFVSA-N 0 1 380.282 3.418 20 0 GGADMN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534941222 566265019 /nfs/dbraw/zinc/26/50/19/566265019.db2.gz QEAKPJUZALLWHU-WPRPVWTQSA-N 0 1 378.650 3.331 20 0 GGADMN COc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1Cl ZINC000599432210 566265207 /nfs/dbraw/zinc/26/52/07/566265207.db2.gz CHBNFWRYSCNZEP-UHFFFAOYSA-N 0 1 386.260 3.357 20 0 GGADMN O=C(CCOC[C@H]1CCCO1)Nc1cc(Br)cc(Cl)c1O ZINC000534941007 566265367 /nfs/dbraw/zinc/26/53/67/566265367.db2.gz KPMVHYLGYFDUAH-SNVBAGLBSA-N 0 1 378.650 3.332 20 0 GGADMN O=C1CCN1c1cccc(CNCc2cccc(I)c2)c1 ZINC000575323426 566265617 /nfs/dbraw/zinc/26/56/17/566265617.db2.gz UDDDMWQJXZKOMH-UHFFFAOYSA-N 0 1 392.240 3.318 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cccc(I)c2)n[nH]1 ZINC000534965281 566266701 /nfs/dbraw/zinc/26/67/01/566266701.db2.gz QCVLDKUZPMIXSN-SECBINFHSA-N 0 1 399.236 3.415 20 0 GGADMN Cc1c(Br)cc(CN2CCc3n[nH]nc3C2)cc1Br ZINC000668791526 566267044 /nfs/dbraw/zinc/26/70/44/566267044.db2.gz OIWDMWOADZAFHN-UHFFFAOYSA-N 0 1 386.091 3.196 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(I)cc2)n[nH]1 ZINC000534963945 566267036 /nfs/dbraw/zinc/26/70/36/566267036.db2.gz QCKKPICDJLGHPC-SECBINFHSA-N 0 1 399.236 3.415 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n[nH]1 ZINC000534975178 566267572 /nfs/dbraw/zinc/26/75/72/566267572.db2.gz CLWKFQDSDWIWDS-ZETCQYMHSA-N 0 1 382.795 3.079 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(C(C)(C)C)n1)c1ccc(Br)s1 ZINC000575336773 566267948 /nfs/dbraw/zinc/26/79/48/566267948.db2.gz IYVIUIYVIAACDR-QMMMGPOBSA-N 0 1 386.319 3.487 20 0 GGADMN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000599473120 566267943 /nfs/dbraw/zinc/26/79/43/566267943.db2.gz XCDRJICNZREAJA-QGZVFWFLSA-N 0 1 387.307 3.004 20 0 GGADMN C[C@@H]1CC=CC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000509149299 566268088 /nfs/dbraw/zinc/26/80/88/566268088.db2.gz DIPOGODGNSCMRO-BXUZGUMPSA-N 0 1 375.270 3.453 20 0 GGADMN C[C@@H]1CC=CC[C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000509149299 566268093 /nfs/dbraw/zinc/26/80/93/566268093.db2.gz DIPOGODGNSCMRO-BXUZGUMPSA-N 0 1 375.270 3.453 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1ccccc1Br ZINC000445085107 566268344 /nfs/dbraw/zinc/26/83/44/566268344.db2.gz NYYSQDUSXDHJKC-UHFFFAOYSA-N 0 1 386.315 3.290 20 0 GGADMN CC1(C)CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@]2(CCOC2)O1 ZINC000575409845 566269360 /nfs/dbraw/zinc/26/93/60/566269360.db2.gz LBKVHUFOXXLNAI-RDTXWAMCSA-N 0 1 390.307 3.003 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](C)Cc2ccccc2Br)n[nH]1 ZINC000534994542 566269541 /nfs/dbraw/zinc/26/95/41/566269541.db2.gz JJOZVGDQQMGKNB-MNOVXSKESA-N 0 1 380.290 3.121 20 0 GGADMN CCCN1CCN(C(=O)Nc2cc(I)ccc2C)CC1 ZINC000481951892 566269537 /nfs/dbraw/zinc/26/95/37/566269537.db2.gz SAMBTLKKYIVSJX-UHFFFAOYSA-N 0 1 387.265 3.159 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)Cc2ccccc2Br)n[nH]1 ZINC000534994541 566269672 /nfs/dbraw/zinc/26/96/72/566269672.db2.gz JJOZVGDQQMGKNB-GHMZBOCLSA-N 0 1 380.290 3.121 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)cs1 ZINC000481961926 566270233 /nfs/dbraw/zinc/27/02/33/566270233.db2.gz GFWGNSLWDHBMBH-UHFFFAOYSA-N 0 1 385.438 3.406 20 0 GGADMN Cc1ccc(I)cc1NC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000481970719 566270280 /nfs/dbraw/zinc/27/02/80/566270280.db2.gz BEBBVZFMELBYJE-NEPJUHHUSA-N 0 1 387.265 3.156 20 0 GGADMN Cc1ccc(N[C@@H](c2nnc[nH]2)c2cccnc2)cc1I ZINC000556142368 566272392 /nfs/dbraw/zinc/27/23/92/566272392.db2.gz IVDXGGJJPFNRNX-CQSZACIVSA-N 0 1 391.216 3.314 20 0 GGADMN Fc1cc(Br)ccc1C1CC(NCc2nnnn2CC2CC2)C1 ZINC000556149135 566272554 /nfs/dbraw/zinc/27/25/54/566272554.db2.gz DCBYQIOSDHZWQV-UHFFFAOYSA-N 0 1 380.265 3.021 20 0 GGADMN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000535037144 566272585 /nfs/dbraw/zinc/27/25/85/566272585.db2.gz SIWRZSGPSBRTGI-KBPBESRZSA-N 0 1 380.330 3.247 20 0 GGADMN CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000556152101 566272838 /nfs/dbraw/zinc/27/28/38/566272838.db2.gz MBLUYXPUSAASJC-GHMZBOCLSA-N 0 1 379.258 3.378 20 0 GGADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000535037147 566272842 /nfs/dbraw/zinc/27/28/42/566272842.db2.gz SIWRZSGPSBRTGI-KGLIPLIRSA-N 0 1 380.330 3.247 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cc(I)ccc2C)n[nH]1 ZINC000481983219 566273333 /nfs/dbraw/zinc/27/33/33/566273333.db2.gz RSHNLIZHKUWLGT-VIFPVBQESA-N 0 1 399.236 3.163 20 0 GGADMN C[C@@H](c1ccccc1Br)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000420348953 566274294 /nfs/dbraw/zinc/27/42/94/566274294.db2.gz BGKXBWNTQPWTGC-ZDUSSCGKSA-N 0 1 390.329 3.084 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccccc1S(C)(=O)=O ZINC000509203830 566274529 /nfs/dbraw/zinc/27/45/29/566274529.db2.gz ARVFLNPHHNMVNF-UHFFFAOYSA-N 0 1 393.408 3.218 20 0 GGADMN C[C@@H](c1cccc(Br)c1)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000420354486 566274546 /nfs/dbraw/zinc/27/45/46/566274546.db2.gz OKPXCVFCCTUUSB-ZDUSSCGKSA-N 0 1 390.329 3.084 20 0 GGADMN NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2NCc1cc(F)c(Cl)cc1F ZINC000556178173 566274843 /nfs/dbraw/zinc/27/48/43/566274843.db2.gz XJPUVPCAWATYOY-QGZVFWFLSA-N 0 1 386.851 3.433 20 0 GGADMN Brc1cnc(CN2CCN(C3CCC3)CC2)c(Br)c1 ZINC000482002947 566275583 /nfs/dbraw/zinc/27/55/83/566275583.db2.gz CIMQZDFZAHMNMO-UHFFFAOYSA-N 0 1 389.135 3.277 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000625095101 566275769 /nfs/dbraw/zinc/27/57/69/566275769.db2.gz HCKXJSNYSNVNRG-DYVFJYSZSA-N 0 1 389.297 3.305 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000509204854 566276158 /nfs/dbraw/zinc/27/61/58/566276158.db2.gz YOJNZEMXXBKPDQ-SNVBAGLBSA-N 0 1 376.404 3.295 20 0 GGADMN COc1ccncc1CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000556215651 566276613 /nfs/dbraw/zinc/27/66/13/566276613.db2.gz QBFYZNZDEPTWKN-LBPRGKRZSA-N 0 1 378.270 3.360 20 0 GGADMN CCCN(CC1CC1)S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000462294285 566276709 /nfs/dbraw/zinc/27/67/09/566276709.db2.gz FOAVKUUJJOADBX-AEFFLSMTSA-N 0 1 385.599 3.087 20 0 GGADMN CCCN(CC1CC1)S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000462294286 566277005 /nfs/dbraw/zinc/27/70/05/566277005.db2.gz FOAVKUUJJOADBX-FUHWJXTLSA-N 0 1 385.599 3.087 20 0 GGADMN CCn1cc(Br)cc1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000482033635 566277377 /nfs/dbraw/zinc/27/73/77/566277377.db2.gz SWJSOBJNSIWTIX-UHFFFAOYSA-N 0 1 382.277 3.271 20 0 GGADMN C[C@@H]1CN(C)CCN1CCOc1c(Br)cccc1Br ZINC000482699977 566327406 /nfs/dbraw/zinc/32/74/06/566327406.db2.gz ZADNWNBHSUJLIN-LLVKDONJSA-N 0 1 392.135 3.226 20 0 GGADMN C[C@@H]1CN(C[C@H](O)Cn2ccc(-c3cc(Cl)ccc3Cl)n2)C[C@H](C)O1 ZINC000535121745 566277946 /nfs/dbraw/zinc/27/79/46/566277946.db2.gz SDWPQYAFIWKIRN-GUTXKFCHSA-N 0 1 384.307 3.327 20 0 GGADMN CCn1c(=O)[nH]nc1S[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000648405796 566278927 /nfs/dbraw/zinc/27/89/27/566278927.db2.gz VUAXLEFZTNZHCV-NSHDSACASA-N 0 1 381.527 3.307 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000482041652 566279133 /nfs/dbraw/zinc/27/91/33/566279133.db2.gz CAGFGRRNRSLFDO-YVEFUNNKSA-N 0 1 399.304 3.124 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000575635306 566279659 /nfs/dbraw/zinc/27/96/59/566279659.db2.gz ROYLHUWIAGDFOS-SUHUHFCYSA-N 0 1 393.285 3.082 20 0 GGADMN COC(=O)CCSc1cccc(NS(=O)(=O)c2ccccc2OC)c1 ZINC000535137592 566279712 /nfs/dbraw/zinc/27/97/12/566279712.db2.gz LGUIOBYDBKYXQC-UHFFFAOYSA-N 0 1 381.475 3.151 20 0 GGADMN C[C@H](NCC(=O)NCC(F)F)c1ccc(Br)cc1C(F)(F)F ZINC000482071548 566281237 /nfs/dbraw/zinc/28/12/37/566281237.db2.gz BKSYNQWJFLKGGK-ZETCQYMHSA-N 0 1 389.162 3.500 20 0 GGADMN C[C@H](NC(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccc(Cl)c1Cl ZINC000669042096 566281668 /nfs/dbraw/zinc/28/16/68/566281668.db2.gz VQDJFPSADIRIPV-RYUDHWBXSA-N 0 1 386.323 3.160 20 0 GGADMN CC(C)(NCc1nc2ccc(Br)cc2[nH]1)c1nnc2n1CCCC2 ZINC000556289788 566281968 /nfs/dbraw/zinc/28/19/68/566281968.db2.gz QLZQXYIVSGTBDO-UHFFFAOYSA-N 0 1 389.301 3.278 20 0 GGADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC[C@H](n2ccnc2)C1 ZINC000625141010 566281870 /nfs/dbraw/zinc/28/18/70/566281870.db2.gz KPSJGGNBDJIDFG-DOTOQJQBSA-N 0 1 389.297 3.236 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(CCCc2c(Cl)cccc2Cl)C1 ZINC000482088722 566282398 /nfs/dbraw/zinc/28/23/98/566282398.db2.gz NEBHQXBSNMHZKF-ZDUSSCGKSA-N 0 1 379.353 3.187 20 0 GGADMN O=S(=O)(NCC1(N2CCSCC2)CCCCC1)c1cccc(Cl)c1 ZINC000482104013 566282544 /nfs/dbraw/zinc/28/25/44/566282544.db2.gz NVTWBHKPKIUHBO-UHFFFAOYSA-N 0 1 388.986 3.370 20 0 GGADMN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCC(=O)NCC(F)F ZINC000482090666 566282814 /nfs/dbraw/zinc/28/28/14/566282814.db2.gz SXWUXNYOVALGHB-RMLUDKJBSA-N 0 1 379.270 3.203 20 0 GGADMN Cc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)cc1C ZINC000482112400 566284493 /nfs/dbraw/zinc/28/44/93/566284493.db2.gz HOFXOKPMMANVTR-UHFFFAOYSA-N 0 1 382.595 3.333 20 0 GGADMN COC1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CCC1 ZINC000556328676 566284806 /nfs/dbraw/zinc/28/48/06/566284806.db2.gz IOMORJBMXFOFLR-UHFFFAOYSA-N 0 1 376.214 3.310 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000509264324 566284799 /nfs/dbraw/zinc/28/47/99/566284799.db2.gz QMOVOBJQRYASGF-LBPRGKRZSA-N 0 1 380.286 3.329 20 0 GGADMN Cc1ccc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)c(C)c1 ZINC000482116161 566285372 /nfs/dbraw/zinc/28/53/72/566285372.db2.gz XLTJVOOBQYCKBE-UHFFFAOYSA-N 0 1 382.595 3.333 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c(Cl)c1 ZINC000575777931 566285555 /nfs/dbraw/zinc/28/55/55/566285555.db2.gz HYSYGTIJOJOJOB-UHFFFAOYSA-N 0 1 378.841 3.243 20 0 GGADMN Cc1cc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)ccc1F ZINC000482138171 566286211 /nfs/dbraw/zinc/28/62/11/566286211.db2.gz FNKQFAXESIYNKN-UHFFFAOYSA-N 0 1 386.558 3.164 20 0 GGADMN CSc1cccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000509284870 566286251 /nfs/dbraw/zinc/28/62/51/566286251.db2.gz KRLYWZBKBOBSOV-KXBFYZLASA-N 0 1 376.547 3.207 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599683941 566286297 /nfs/dbraw/zinc/28/62/97/566286297.db2.gz RAGKRZABLMPBOB-AWEZNQCLSA-N 0 1 386.279 3.415 20 0 GGADMN CSc1cccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000509284864 566286443 /nfs/dbraw/zinc/28/64/43/566286443.db2.gz KRLYWZBKBOBSOV-BEFAXECRSA-N 0 1 376.547 3.207 20 0 GGADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(F)(F)F ZINC000556346396 566286592 /nfs/dbraw/zinc/28/65/92/566286592.db2.gz GJHVUZICYOXCRG-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](c2cccnc2)C1 ZINC000575800118 566287133 /nfs/dbraw/zinc/28/71/33/566287133.db2.gz HQAUGLOVJHJEKY-MRXNPFEDSA-N 0 1 388.309 3.292 20 0 GGADMN Brc1cnc2[nH]cc(-c3noc(CCCCc4cn[nH]n4)n3)c2c1 ZINC000420516563 566287390 /nfs/dbraw/zinc/28/73/90/566287390.db2.gz YLTJLDVSGLYPRG-UHFFFAOYSA-N 0 1 388.229 3.059 20 0 GGADMN Cc1nc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)sc1Br ZINC000556354480 566288432 /nfs/dbraw/zinc/28/84/32/566288432.db2.gz PMWVBQXAWQYYDJ-SNVBAGLBSA-N 0 1 397.342 3.482 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCC(CO)CC2)C1=O ZINC000509309772 566290064 /nfs/dbraw/zinc/29/00/64/566290064.db2.gz ISOHMCLYPIWZGQ-KRWDZBQOSA-N 0 1 395.341 3.266 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cc3cc(Cl)cnc3o2)c(C)s1 ZINC000648485124 566290172 /nfs/dbraw/zinc/29/01/72/566290172.db2.gz CCOVEEOEGBHFAY-UHFFFAOYSA-N 0 1 399.925 3.228 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2CCC[C@@H](CO)C2)C1=O ZINC000509315041 566290661 /nfs/dbraw/zinc/29/06/61/566290661.db2.gz QWFWUKZYHSKMBQ-WBVHZDCISA-N 0 1 395.341 3.266 20 0 GGADMN Cc1ncc(-c2noc(-c3cc(-c4ccc(Br)cc4)n[nH]3)n2)c(N)n1 ZINC000445485438 566292969 /nfs/dbraw/zinc/29/29/69/566292969.db2.gz YNNQSRFSLMRHPZ-UHFFFAOYSA-N 0 1 398.224 3.067 20 0 GGADMN CN(Cc1ccc2c(c1)nnn2C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000509359260 566293440 /nfs/dbraw/zinc/29/34/40/566293440.db2.gz QYMWMFMJLMKHQQ-ROUUACIJSA-N 0 1 377.275 3.365 20 0 GGADMN CN1Cc2ccccc2[C@@H](NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000535297954 566294397 /nfs/dbraw/zinc/29/43/97/566294397.db2.gz KKXDMNWMXWGEFX-INIZCTEOSA-N 0 1 375.266 3.454 20 0 GGADMN COc1ccccc1C(C)(C)NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509362317 566294664 /nfs/dbraw/zinc/29/46/64/566294664.db2.gz UZIYUDFRAJIFHE-UHFFFAOYSA-N 0 1 377.359 3.465 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)COc3ccsc3Cl)c2)CC1 ZINC000556397465 566295412 /nfs/dbraw/zinc/29/54/12/566295412.db2.gz RZZAIODILMKILY-UHFFFAOYSA-N 0 1 379.913 3.166 20 0 GGADMN CN(CC(=O)NCCCOc1ccc(Cl)cc1Cl)[C@H]1CCSC1 ZINC000535318319 566295765 /nfs/dbraw/zinc/29/57/65/566295765.db2.gz LMEVWNZLBYMPPT-ZDUSSCGKSA-N 0 1 377.337 3.316 20 0 GGADMN Cn1ccnc1[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000535316582 566295893 /nfs/dbraw/zinc/29/58/93/566295893.db2.gz KWXVNYQUPYOITB-ZDUSSCGKSA-N 0 1 388.269 3.222 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H](n2cccn2)C1 ZINC000462401709 566296088 /nfs/dbraw/zinc/29/60/88/566296088.db2.gz QSSLSWOZDYLQKV-AWEZNQCLSA-N 0 1 386.253 3.123 20 0 GGADMN O=S(=O)(Nc1ccc(I)cc1)c1cncc(Cl)c1 ZINC000535326077 566296397 /nfs/dbraw/zinc/29/63/97/566296397.db2.gz QJIJZGDCVGRQAA-UHFFFAOYSA-N 0 1 394.621 3.140 20 0 GGADMN CCON1CCC(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000669348257 566296917 /nfs/dbraw/zinc/29/69/17/566296917.db2.gz KYIZVVZEBJPCHZ-UHFFFAOYSA-N 0 1 381.274 3.318 20 0 GGADMN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(SC)c1)OCCO2 ZINC000509385965 566297118 /nfs/dbraw/zinc/29/71/18/566297118.db2.gz PFINQVOBLSBIRN-UHFFFAOYSA-N 0 1 381.475 3.379 20 0 GGADMN CC(=O)N[C@H](CCC(C)C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000669347993 566297322 /nfs/dbraw/zinc/29/73/22/566297322.db2.gz HBLMTFPEVDJBDA-CYBMUJFWSA-N 0 1 381.274 3.205 20 0 GGADMN C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc4c3OCCO4)cc(Cl)c2O1 ZINC000535347947 566297457 /nfs/dbraw/zinc/29/74/57/566297457.db2.gz YNDDYBPNGUNUAG-JTQLQIEISA-N 0 1 381.837 3.235 20 0 GGADMN CCSc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc1 ZINC000625255520 566297563 /nfs/dbraw/zinc/29/75/63/566297563.db2.gz UUXKGNWEOXZLAM-LBPRGKRZSA-N 0 1 379.507 3.056 20 0 GGADMN CCc1cc(Br)cc2sc(NC(=O)CCc3nc[nH]n3)nc21 ZINC000482265261 566297884 /nfs/dbraw/zinc/29/78/84/566297884.db2.gz VYJAKNOOLQMKQF-UHFFFAOYSA-N 0 1 380.271 3.311 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(O)c(Br)c1)c1ccsc1 ZINC000482258541 566298112 /nfs/dbraw/zinc/29/81/12/566298112.db2.gz LQPYUDLTYUCUFI-AWEZNQCLSA-N 0 1 398.326 3.318 20 0 GGADMN CN(CCNC(=O)COc1ccccc1Br)Cc1ccc(F)cc1 ZINC000482263486 566298321 /nfs/dbraw/zinc/29/83/21/566298321.db2.gz CBLKAHSQCPGYNL-UHFFFAOYSA-N 0 1 395.272 3.215 20 0 GGADMN Cc1c(Br)cc(CNC[C@@H](C)S(C)(=O)=O)cc1Br ZINC000556417079 566298872 /nfs/dbraw/zinc/29/88/72/566298872.db2.gz UGQQHHVWNHXFMK-MRVPVSSYSA-N 0 1 399.148 3.043 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1F)c1ccc(Cl)c(F)c1 ZINC000535354653 566299185 /nfs/dbraw/zinc/29/91/85/566299185.db2.gz MLASVWPEFJGFBM-HNNXBMFYSA-N 0 1 389.807 3.119 20 0 GGADMN Ic1cccc(CNc2cnccc2-n2cccn2)c1 ZINC000556418483 566300543 /nfs/dbraw/zinc/30/05/43/566300543.db2.gz KLXDJZVZIYIHKC-UHFFFAOYSA-N 0 1 376.201 3.484 20 0 GGADMN COc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)c(Cl)c1Cl ZINC000462423687 566300620 /nfs/dbraw/zinc/30/06/20/566300620.db2.gz VHGVNMSIRDBZIR-NSHDSACASA-N 0 1 381.325 3.012 20 0 GGADMN Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCCCC2)cc1Br ZINC000462430128 566300807 /nfs/dbraw/zinc/30/08/07/566300807.db2.gz TXGJMLITOBRTMM-UHFFFAOYSA-N 0 1 389.359 3.300 20 0 GGADMN CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575964356 566301191 /nfs/dbraw/zinc/30/11/91/566301191.db2.gz ZNPKIKQANQSNHL-AWEZNQCLSA-N 0 1 388.961 3.129 20 0 GGADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420693544 566301572 /nfs/dbraw/zinc/30/15/72/566301572.db2.gz UKGVQBNZLMNFMR-LBPRGKRZSA-N 0 1 382.860 3.093 20 0 GGADMN O=S(=O)(NCCNCc1ccccc1Cl)c1ccc(F)cc1Cl ZINC000509410089 566301914 /nfs/dbraw/zinc/30/19/14/566301914.db2.gz IVHJZMSOLPSHPF-UHFFFAOYSA-N 0 1 377.268 3.201 20 0 GGADMN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1OC(F)F ZINC000420690494 566302137 /nfs/dbraw/zinc/30/21/37/566302137.db2.gz HKYPOYJLVZTVCN-SNVBAGLBSA-N 0 1 377.800 3.020 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CCS[C@H]2C)cc1 ZINC000648684679 566302289 /nfs/dbraw/zinc/30/22/89/566302289.db2.gz DAUSZMZPJDUEFL-JSGCOSHPSA-N 0 1 396.559 3.481 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(Cl)c1Cl ZINC000462437456 566302326 /nfs/dbraw/zinc/30/23/26/566302326.db2.gz AKRAGQQZQQTLRT-VXGBXAGGSA-N 0 1 395.352 3.401 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1Br ZINC000462438542 566302349 /nfs/dbraw/zinc/30/23/49/566302349.db2.gz DXEIHZWCIYBZHN-TZMCWYRMSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1ccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1Br ZINC000462438541 566302550 /nfs/dbraw/zinc/30/25/50/566302550.db2.gz DXEIHZWCIYBZHN-OCCSQVGLSA-N 0 1 389.359 3.156 20 0 GGADMN CC(C)(CNS(=O)(=O)c1ccc(Br)c(F)c1)N1CCCCC1 ZINC000462430933 566302599 /nfs/dbraw/zinc/30/25/99/566302599.db2.gz WZKXOBBFMIYYJJ-UHFFFAOYSA-N 0 1 393.322 3.131 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c(Cl)c1Cl ZINC000462437454 566302853 /nfs/dbraw/zinc/30/28/53/566302853.db2.gz AKRAGQQZQQTLRT-NWDGAFQWSA-N 0 1 395.352 3.401 20 0 GGADMN Fc1ccc(Br)c(F)c1CNCCc1nnnn1-c1ccccc1 ZINC000509430046 566302874 /nfs/dbraw/zinc/30/28/74/566302874.db2.gz NUXRQSVGLTXEJI-UHFFFAOYSA-N 0 1 394.223 3.035 20 0 GGADMN O=C1C[C@H](NCc2cccc(Br)c2OC(F)F)[C@@H]2CCCCN12 ZINC000509424474 566303933 /nfs/dbraw/zinc/30/39/33/566303933.db2.gz IVYLGRIRSPYPNQ-STQMWFEESA-N 0 1 389.240 3.294 20 0 GGADMN O=C([O-])[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(Br)c1 ZINC000669471236 566305790 /nfs/dbraw/zinc/30/57/90/566305790.db2.gz UTSFCRBEOVMGTL-LBPRGKRZSA-N 0 1 392.175 3.123 20 0 GGADMN Brc1ccc(-c2csc3ncnc(NCc4nn[nH]n4)c23)cc1 ZINC000599949740 566306512 /nfs/dbraw/zinc/30/65/12/566306512.db2.gz BEEDHOCTWHKPPJ-UHFFFAOYSA-N 0 1 388.254 3.246 20 0 GGADMN Cn1nnc2cc(CN3CCN(c4cccc(Br)c4)CC3)ccc21 ZINC000556505762 566308302 /nfs/dbraw/zinc/30/83/02/566308302.db2.gz MZCCOZFGMJUAHB-UHFFFAOYSA-N 0 1 386.297 3.053 20 0 GGADMN COC1(c2nc(CC(F)(F)F)no2)CCN(C[C@H](C)C(F)(F)F)CC1 ZINC000556515956 566308319 /nfs/dbraw/zinc/30/83/19/566308319.db2.gz WUPRWDLTJQEGEL-VIFPVBQESA-N 0 1 375.313 3.310 20 0 GGADMN CC[C@@]1(CO)CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625345452 566310801 /nfs/dbraw/zinc/31/08/01/566310801.db2.gz WZGXNZFHRMTUKV-FUHWJXTLSA-N 0 1 381.314 3.187 20 0 GGADMN CCC[C@@H]1CNCCN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000669582991 566311732 /nfs/dbraw/zinc/31/17/32/566311732.db2.gz WFFAPIKVECFZKK-CVEARBPZSA-N 0 1 381.318 3.079 20 0 GGADMN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000509525021 566312099 /nfs/dbraw/zinc/31/20/99/566312099.db2.gz NNMMSLNDMHSZPP-SNVBAGLBSA-N 0 1 392.830 3.386 20 0 GGADMN O=S1(=O)CC[C@H](NCc2ccc(-c3ccccc3Br)cc2)C1 ZINC000509521362 566312132 /nfs/dbraw/zinc/31/21/32/566312132.db2.gz GMDQLWHYYPVEOA-HNNXBMFYSA-N 0 1 380.307 3.393 20 0 GGADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420741242 566313171 /nfs/dbraw/zinc/31/31/71/566313171.db2.gz BAFQSQFYNPYZKS-LBPRGKRZSA-N 0 1 382.860 3.045 20 0 GGADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000420741241 566313647 /nfs/dbraw/zinc/31/36/47/566313647.db2.gz BAFQSQFYNPYZKS-GFCCVEGCSA-N 0 1 382.860 3.045 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)c(Cl)c1Cl ZINC000462505041 566314753 /nfs/dbraw/zinc/31/47/53/566314753.db2.gz PFBXWIIDUWWKNH-LBPRGKRZSA-N 0 1 395.352 3.401 20 0 GGADMN C[C@H](CNCc1ncc(Br)cc1Br)Cn1cccn1 ZINC000576085548 566314985 /nfs/dbraw/zinc/31/49/85/566314985.db2.gz ISJRTHRCTUNMNW-SNVBAGLBSA-N 0 1 388.107 3.229 20 0 GGADMN Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)nn1C(F)F ZINC000535622201 566315424 /nfs/dbraw/zinc/31/54/24/566315424.db2.gz WNOOCPJLGSQAEQ-UHFFFAOYSA-N 0 1 397.183 3.387 20 0 GGADMN 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/nfs/dbraw/zinc/37/90/60/566379060.db2.gz JKZVIVOMABWFNW-SECBINFHSA-N 0 1 386.287 3.102 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Br ZINC000536502663 566379317 /nfs/dbraw/zinc/37/93/17/566379317.db2.gz RDIJBMKSLROUBR-JTQLQIEISA-N 0 1 387.303 3.039 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)s2)cs1 ZINC000536502547 566379764 /nfs/dbraw/zinc/37/97/64/566379764.db2.gz OKARFDCDILQSQC-VIFPVBQESA-N 0 1 397.551 3.461 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000536501300 566379933 /nfs/dbraw/zinc/37/99/33/566379933.db2.gz FRIFWPGDJZJQMW-LURJTMIESA-N 0 1 383.688 3.367 20 0 GGADMN CN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@@H]1CCSC1 ZINC000536524245 566381012 /nfs/dbraw/zinc/38/10/12/566381012.db2.gz NZCHXTFYCVHNKR-LSDHHAIUSA-N 0 1 375.563 3.440 20 0 GGADMN CN(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@H]1CCSC1 ZINC000536524243 566381800 /nfs/dbraw/zinc/38/18/00/566381800.db2.gz NZCHXTFYCVHNKR-GJZGRUSLSA-N 0 1 375.563 3.440 20 0 GGADMN CC[C@H](C)[NH2+][C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000510417867 566381754 /nfs/dbraw/zinc/38/17/54/566381754.db2.gz YEJHBJANLZBUJJ-QWRGUYRKSA-N 0 1 391.287 3.043 20 0 GGADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC)c1ccco1 ZINC000510417954 566381906 /nfs/dbraw/zinc/38/19/06/566381906.db2.gz ZBYYPSLNXVVXSM-JSGCOSHPSA-N 0 1 386.901 3.349 20 0 GGADMN O=S(=O)(Nc1ccc([C@@H]2CCOC2)cc1)c1cncc(Br)c1 ZINC000649643140 566382067 /nfs/dbraw/zinc/38/20/67/566382067.db2.gz LCCICGHUUDWJEN-GFCCVEGCSA-N 0 1 383.267 3.149 20 0 GGADMN CS[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H]1N1CCCC1 ZINC000483418380 566382649 /nfs/dbraw/zinc/38/26/49/566382649.db2.gz ZBVIQQGWGZDTKU-SMDDNHRTSA-N 0 1 396.607 3.076 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@H]1CCSC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000536539786 566382814 /nfs/dbraw/zinc/38/28/14/566382814.db2.gz AKWYJZHKEXYWOP-RISCZKNCSA-N 0 1 380.901 3.005 20 0 GGADMN CCCN(CCN1CCCOCC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000463085841 566382915 /nfs/dbraw/zinc/38/29/15/566382915.db2.gz QLJHWCIQTPQJTG-UHFFFAOYSA-N 0 1 388.339 3.366 20 0 GGADMN CCc1ncc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447068493 566383088 /nfs/dbraw/zinc/38/30/88/566383088.db2.gz RJKQMIWFRVBHNS-AWEZNQCLSA-N 0 1 380.311 3.363 20 0 GGADMN C[C@H](CSc1ccccc1)N(C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000649665319 566383576 /nfs/dbraw/zinc/38/35/76/566383576.db2.gz HRGDDXSTGFZNQU-CQSZACIVSA-N 0 1 375.519 3.121 20 0 GGADMN COC(=O)CCN(Cc1cnn(C)c1C)Cc1cccc(Br)c1 ZINC000483437847 566383667 /nfs/dbraw/zinc/38/36/67/566383667.db2.gz JNSRYZZCUXSBRN-UHFFFAOYSA-N 0 1 380.286 3.056 20 0 GGADMN CO[C@@H](CC(=O)Nc1ccc(CN2CCSCC2)cc1C)C(F)(F)F ZINC000649667479 566383848 /nfs/dbraw/zinc/38/38/48/566383848.db2.gz IEQYHBZBACEHHK-HNNXBMFYSA-N 0 1 376.444 3.450 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000447077431 566383999 /nfs/dbraw/zinc/38/39/99/566383999.db2.gz LJCZSRRHQKOZCL-QGZVFWFLSA-N 0 1 391.313 3.125 20 0 GGADMN CC(C)(C)[NH+]=c1[n-]nc(-c2ccccc2Br)n1C[C@H]1CCOC1 ZINC000463096953 566384107 /nfs/dbraw/zinc/38/41/07/566384107.db2.gz FCTAMGXSYXCQSQ-GFCCVEGCSA-N 0 1 379.302 3.376 20 0 GGADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000510467247 566384156 /nfs/dbraw/zinc/38/41/56/566384156.db2.gz IXUOLCZXNOWEKD-YPMHNXCESA-N 0 1 380.407 3.092 20 0 GGADMN O=C(CN[C@H](CCO)c1cc(Cl)cc(Cl)c1)NCc1ccc(F)cc1 ZINC000626100887 566384915 /nfs/dbraw/zinc/38/49/15/566384915.db2.gz BECFPTVDMRJKBT-QGZVFWFLSA-N 0 1 385.266 3.462 20 0 GGADMN CC(C)(C)[NH+]=c1[n-]nc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCCO1 ZINC000463105748 566384906 /nfs/dbraw/zinc/38/49/06/566384906.db2.gz HDOJHHZSCARXMP-LBPRGKRZSA-N 0 1 382.306 3.237 20 0 GGADMN Cc1nc(C)c(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1 ZINC000447084159 566385026 /nfs/dbraw/zinc/38/50/26/566385026.db2.gz YHMNRSFEQHFQHM-UHFFFAOYSA-N 0 1 378.441 3.472 20 0 GGADMN Cc1nc(C)c(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447072912 566385137 /nfs/dbraw/zinc/38/51/37/566385137.db2.gz PAKPPOGDEHQRQD-AWEZNQCLSA-N 0 1 380.311 3.418 20 0 GGADMN Cc1cccc2ncc(CN[C@H]3CCN(c4cccc(Br)c4)C3=O)n21 ZINC000447085380 566385265 /nfs/dbraw/zinc/38/52/65/566385265.db2.gz IQDOIZUXJZTUNF-KRWDZBQOSA-N 0 1 399.292 3.300 20 0 GGADMN O=C(NC[C@H]1CC12CCSCC2)c1ccc(CN2CCSCC2)cc1 ZINC000421586826 566385550 /nfs/dbraw/zinc/38/55/50/566385550.db2.gz GPHYOCOVSOUYEH-GOSISDBHSA-N 0 1 376.591 3.499 20 0 GGADMN CC(C)(C)n1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000447093734 566385770 /nfs/dbraw/zinc/38/57/70/566385770.db2.gz MDYIVJYJRRXMTD-INIZCTEOSA-N 0 1 391.313 3.296 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1CCOC ZINC000536597056 566386070 /nfs/dbraw/zinc/38/60/70/566386070.db2.gz VEALKCRPQHZXJO-GFCCVEGCSA-N 0 1 380.341 3.307 20 0 GGADMN O=C(NC[C@@H]1CC12CCSCC2)c1ccc(CN2CCSCC2)cc1 ZINC000421586847 566385791 /nfs/dbraw/zinc/38/57/91/566385791.db2.gz GPHYOCOVSOUYEH-SFHVURJKSA-N 0 1 376.591 3.499 20 0 GGADMN Cn1cnc2cc(CN[C@@H]3CCN(c4cccc(Br)c4)C3=O)ccc21 ZINC000447101275 566385953 /nfs/dbraw/zinc/38/59/53/566385953.db2.gz WZHSBSWJMDKCGQ-MRXNPFEDSA-N 0 1 399.292 3.231 20 0 GGADMN COCC[C@@]1(NCc2nc(-c3cccc(Br)c3)c[nH]2)CCOC1 ZINC000447090571 566386149 /nfs/dbraw/zinc/38/61/49/566386149.db2.gz LVCMKABFLKXUEA-QGZVFWFLSA-N 0 1 380.286 3.124 20 0 GGADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000510487590 566387422 /nfs/dbraw/zinc/38/74/22/566387422.db2.gz BGRXJWVTRKUYCE-AAEUAGOBSA-N 0 1 380.407 3.092 20 0 GGADMN CC(=O)Nc1ccc(CN(CCO)Cc2ccc(Br)s2)cc1 ZINC000483509875 566388651 /nfs/dbraw/zinc/38/86/51/566388651.db2.gz DMSHCFOSJAFESY-UHFFFAOYSA-N 0 1 383.311 3.464 20 0 GGADMN O=S(=O)(c1cccc2c(Cl)ccnc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000649743654 566388893 /nfs/dbraw/zinc/38/88/93/566388893.db2.gz JMPKMJMZTUZXHL-CQSZACIVSA-N 0 1 379.913 3.137 20 0 GGADMN O=c1cc(CN2CCC[C@@H]2c2ccncc2)nc2ccc(Br)cn12 ZINC000536607525 566388902 /nfs/dbraw/zinc/38/89/02/566388902.db2.gz CTRSNMVFIIBCOX-MRXNPFEDSA-N 0 1 385.265 3.189 20 0 GGADMN C[C@@H]1CN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C[C@@H](C)S1 ZINC000536655534 566389900 /nfs/dbraw/zinc/38/99/00/566389900.db2.gz ULKDOIBGXDRSTF-HZPDHXFCSA-N 0 1 384.973 3.377 20 0 GGADMN CC[C@@]1(C)COCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000536649305 566390194 /nfs/dbraw/zinc/39/01/94/566390194.db2.gz PYDLCGAAQJLOAV-KRWDZBQOSA-N 0 1 378.270 3.480 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H](C)Cc2ccccc2F)sc1Br ZINC000536660862 566390359 /nfs/dbraw/zinc/39/03/59/566390359.db2.gz OGJISEXOQASCBM-QMMMGPOBSA-N 0 1 393.303 3.263 20 0 GGADMN CN1CCC2(CCN(Cc3nc4ccc(Br)cc4o3)CC2)C1=O ZINC000463216474 566390790 /nfs/dbraw/zinc/39/07/90/566390790.db2.gz VCPGXRBSRZMWNH-UHFFFAOYSA-N 0 1 378.270 3.035 20 0 GGADMN C[C@@H](CN[C@H](c1nnc[nH]1)c1cccnc1)Oc1ccccc1Br ZINC000576933683 566391168 /nfs/dbraw/zinc/39/11/68/566391168.db2.gz PTPHXRRESXEFQC-LRDDRELGSA-N 0 1 388.269 3.109 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1Br ZINC000463199634 566391343 /nfs/dbraw/zinc/39/13/43/566391343.db2.gz PYLJAYUZUAYHJC-KBPBESRZSA-N 0 1 395.750 3.053 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(OC)c(Br)c(OC)c2)[C@@H](C)C1 ZINC000557504841 566391597 /nfs/dbraw/zinc/39/15/97/566391597.db2.gz GLBQGODCBOHFBB-RYUDHWBXSA-N 0 1 385.302 3.021 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(OC)c(Br)c(OC)c2)[C@H](C)C1 ZINC000557504845 566391691 /nfs/dbraw/zinc/39/16/91/566391691.db2.gz GLBQGODCBOHFBB-VXGBXAGGSA-N 0 1 385.302 3.021 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@H](C)Cc2cccs2)sc1Br ZINC000536674551 566392693 /nfs/dbraw/zinc/39/26/93/566392693.db2.gz HKLGICMVIRRXGT-MRVPVSSYSA-N 0 1 395.369 3.433 20 0 GGADMN CCS(=O)(=O)NCCCN(Cc1cccs1)Cc1ccccc1OC ZINC000510551693 566393028 /nfs/dbraw/zinc/39/30/28/566393028.db2.gz SNDWWZVZKWTEKD-UHFFFAOYSA-N 0 1 382.551 3.088 20 0 GGADMN Cc1c(Br)cc(-c2nc(=O)c3cc(Cl)ccc3[nH]2)c(=O)n1C ZINC000463227419 566393136 /nfs/dbraw/zinc/39/31/36/566393136.db2.gz ALUIIXIVXMRJRJ-UHFFFAOYSA-N 0 1 380.629 3.425 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1O ZINC000536697795 566394056 /nfs/dbraw/zinc/39/40/56/566394056.db2.gz VBAVSEJGXHOMLL-UHFFFAOYSA-N 0 1 380.853 3.082 20 0 GGADMN C[C@H]1CC[C@@H](N(CCO)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000557530068 566394275 /nfs/dbraw/zinc/39/42/75/566394275.db2.gz JNUDICNNVZCOPF-WCQYABFASA-N 0 1 376.831 3.363 20 0 GGADMN Cc1nc(S(=O)(=O)NCCc2ccccc2C)sc1Br ZINC000536684326 566394778 /nfs/dbraw/zinc/39/47/78/566394778.db2.gz UIFQACIZFVQUJG-UHFFFAOYSA-N 0 1 375.313 3.043 20 0 GGADMN COc1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c(Cl)c1Cl ZINC000510559404 566394951 /nfs/dbraw/zinc/39/49/51/566394951.db2.gz NXSQWUXBABCEGL-RYUDHWBXSA-N 0 1 393.336 3.249 20 0 GGADMN O=S(=O)(Nc1ccccc1S(=O)(=O)C1CCCC1)c1ccc(F)cc1 ZINC000557542269 566395195 /nfs/dbraw/zinc/39/51/95/566395195.db2.gz FNGMXANDOMLAJX-UHFFFAOYSA-N 0 1 383.466 3.343 20 0 GGADMN COc1ccc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c(Cl)c1Cl ZINC000510559403 566395205 /nfs/dbraw/zinc/39/52/05/566395205.db2.gz 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Cc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1C(=O)N(C)C(C)C ZINC000447275036 566399996 /nfs/dbraw/zinc/39/99/96/566399996.db2.gz PVDBDLANPWQTHO-UHFFFAOYSA-N 0 1 381.885 3.325 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2OC)ccc1Cl ZINC000447266918 566400169 /nfs/dbraw/zinc/40/01/69/566400169.db2.gz YYGKVOTXEBLQPM-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN Cc1c([C@H](C)NCC[C@H](O)C(C)C)nnn1-c1cccc(Br)c1 ZINC000483733086 566400181 /nfs/dbraw/zinc/40/01/81/566400181.db2.gz RUUPQCYTEFWLLX-LRDDRELGSA-N 0 1 381.318 3.396 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000447267939 566400364 /nfs/dbraw/zinc/40/03/64/566400364.db2.gz SAXIFZDCXWKHDT-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447268772 566400432 /nfs/dbraw/zinc/40/04/32/566400432.db2.gz XPPGWYPWWBXVOI-UHFFFAOYSA-N 0 1 382.869 3.289 20 0 GGADMN COc1cc(CN[C@H](C)c2ccc(Br)cc2OCCCO)ccn1 ZINC000463361416 566401942 /nfs/dbraw/zinc/40/19/42/566401942.db2.gz NTDXRJIVSCKPLZ-CYBMUJFWSA-N 0 1 395.297 3.465 20 0 GGADMN O=C([O-])C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccs1 ZINC000671162419 566402193 /nfs/dbraw/zinc/40/21/93/566402193.db2.gz BBZHZKUUXPOQEO-ZDUSSCGKSA-N 0 1 380.832 3.427 20 0 GGADMN COC[C@@H](C)OC[C@@H](O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000447318968 566402556 /nfs/dbraw/zinc/40/25/56/566402556.db2.gz VOWAYXAHPZCDRH-YPMHNXCESA-N 0 1 381.822 3.350 20 0 GGADMN C[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000536817678 566402706 /nfs/dbraw/zinc/40/27/06/566402706.db2.gz RVJNZOUUINDLIX-ZJUUUORDSA-N 0 1 396.228 3.003 20 0 GGADMN C[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000536817668 566403399 /nfs/dbraw/zinc/40/33/99/566403399.db2.gz RVJNZOUUINDLIX-NXEZZACHSA-N 0 1 396.228 3.003 20 0 GGADMN CN(Cc1ccccc1)C1CN(C(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000557643160 566403822 /nfs/dbraw/zinc/40/38/22/566403822.db2.gz GUFBXHUNMFTDHL-UHFFFAOYSA-N 0 1 399.292 3.282 20 0 GGADMN CSc1cc(Br)ccc1CN1CCC[C@@H]1CN1CCOCC1 ZINC000510682511 566404409 /nfs/dbraw/zinc/40/44/09/566404409.db2.gz NZAYDMCQXCABBO-MRXNPFEDSA-N 0 1 385.371 3.468 20 0 GGADMN CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000671175635 566404292 /nfs/dbraw/zinc/40/42/92/566404292.db2.gz UYQKVDCYUYWZDK-INIZCTEOSA-N 0 1 382.888 3.374 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000671166371 566404356 /nfs/dbraw/zinc/40/43/56/566404356.db2.gz KQKJNSQKLRTWSF-UHFFFAOYSA-N 0 1 380.853 3.424 20 0 GGADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CC(=O)NC)cc2)c1 ZINC000671166340 566404426 /nfs/dbraw/zinc/40/44/26/566404426.db2.gz QJRXYJBKROPWCW-UHFFFAOYSA-N 0 1 380.897 3.382 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000671175636 566404820 /nfs/dbraw/zinc/40/48/20/566404820.db2.gz UYQKVDCYUYWZDK-MRXNPFEDSA-N 0 1 382.888 3.374 20 0 GGADMN Cc1c([C@H](C)NCC(C)(C)CCO)nnn1-c1cccc(Br)c1 ZINC000483870739 566405238 /nfs/dbraw/zinc/40/52/38/566405238.db2.gz QNMUAPBKNXFGDZ-LBPRGKRZSA-N 0 1 381.318 3.397 20 0 GGADMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000536830558 566405513 /nfs/dbraw/zinc/40/55/13/566405513.db2.gz DKEDSSXKJGAJGU-TZMCWYRMSA-N 0 1 379.444 3.367 20 0 GGADMN CCc1nsc(N2CCCN(CCOc3ccc(Cl)c(F)c3)CC2)n1 ZINC000483952202 566407572 /nfs/dbraw/zinc/40/75/72/566407572.db2.gz HDCLJJSRBVRMRS-UHFFFAOYSA-N 0 1 384.908 3.484 20 0 GGADMN CN(CCCN(C)S(=O)(=O)c1cnc2ccsc2c1)Cc1ccco1 ZINC000510727738 566407727 /nfs/dbraw/zinc/40/77/27/566407727.db2.gz BSNWGIFSSOOSOK-UHFFFAOYSA-N 0 1 379.507 3.032 20 0 GGADMN CN(CCc1cccc(Br)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000463411860 566408706 /nfs/dbraw/zinc/40/87/06/566408706.db2.gz GILRYKQPIBFLAW-ZDUSSCGKSA-N 0 1 379.220 3.087 20 0 GGADMN COCC1(C)CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000536888242 566408806 /nfs/dbraw/zinc/40/88/06/566408806.db2.gz YDUJWGQUVQHRAN-UHFFFAOYSA-N 0 1 383.330 3.156 20 0 GGADMN COc1cc(Br)c(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1O ZINC000577152486 566408702 /nfs/dbraw/zinc/40/87/02/566408702.db2.gz LUPLDPDNFMMFCE-HNAYVOBHSA-N 0 1 392.293 3.419 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[C@@H]1C ZINC000483967766 566408848 /nfs/dbraw/zinc/40/88/48/566408848.db2.gz XKGHIBXCLANONU-RYUDHWBXSA-N 0 1 382.295 3.129 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C[C@H]1C ZINC000483967764 566408990 /nfs/dbraw/zinc/40/89/90/566408990.db2.gz XKGHIBXCLANONU-NEPJUHHUSA-N 0 1 382.295 3.129 20 0 GGADMN COCC[C@@]1(NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCOC1 ZINC000447398303 566409146 /nfs/dbraw/zinc/40/91/46/566409146.db2.gz SEUSCZWUVINWSN-OAHLLOKOSA-N 0 1 381.687 3.371 20 0 GGADMN CC[N@@H+](CCCNC(=O)N=c1[n-]nc(C(F)(F)F)s1)C1CCCCC1 ZINC000649952437 566409738 /nfs/dbraw/zinc/40/97/38/566409738.db2.gz BQLYSWXUUNCHCK-UHFFFAOYSA-N 0 1 379.452 3.145 20 0 GGADMN CN(CCc1cccc(Br)c1)CC(=O)NCc1ccccc1F ZINC000463429956 566410567 /nfs/dbraw/zinc/41/05/67/566410567.db2.gz RUEDZPMETGTTDO-UHFFFAOYSA-N 0 1 379.273 3.379 20 0 GGADMN C[C@@](N)(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1 ZINC000447436740 566411206 /nfs/dbraw/zinc/41/12/06/566411206.db2.gz XJDDFHNHQTWQGW-QAPCUYQASA-N 0 1 375.266 3.263 20 0 GGADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cc(Br)ccc1Cl ZINC000510770184 566411852 /nfs/dbraw/zinc/41/18/52/566411852.db2.gz YKKWSBCHYGBBGL-KBPBESRZSA-N 0 1 395.750 3.053 20 0 GGADMN COCCCn1c(=O)[nH]nc1SCc1ccc(OC)cc1Br ZINC000421834463 566412418 /nfs/dbraw/zinc/41/24/18/566412418.db2.gz OUBBGBARRHTQTN-UHFFFAOYSA-N 0 1 388.287 3.084 20 0 GGADMN CCc1[nH]nc(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)c1Br ZINC000447498430 566412652 /nfs/dbraw/zinc/41/26/52/566412652.db2.gz CDMBPZFEFBYOKM-UHFFFAOYSA-N 0 1 384.224 3.328 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1Cl ZINC000510776246 566412590 /nfs/dbraw/zinc/41/25/90/566412590.db2.gz BZXBCQMCJDIJBM-ZIAGYGMSSA-N 0 1 395.750 3.053 20 0 GGADMN Cc1sc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1CS(C)(=O)=O ZINC000577185094 566412932 /nfs/dbraw/zinc/41/29/32/566412932.db2.gz ZYUDOBUYGVOWKB-UHFFFAOYSA-N 0 1 377.846 3.352 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3CCN(C)C(C)(C)C3)cc21 ZINC000577190331 566413306 /nfs/dbraw/zinc/41/33/06/566413306.db2.gz MFBWMAVXSYDQMO-UHFFFAOYSA-N 0 1 380.286 3.105 20 0 GGADMN NCc1cc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)ccn1 ZINC000463480408 566413621 /nfs/dbraw/zinc/41/36/21/566413621.db2.gz VYAKJNFUCFYEQQ-MRXNPFEDSA-N 0 1 384.238 3.200 20 0 GGADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OCC1CC1 ZINC000510789832 566413796 /nfs/dbraw/zinc/41/37/96/566413796.db2.gz CBARMSQNKJRQAK-IAGOWNOFSA-N 0 1 386.945 3.079 20 0 GGADMN C[C@H](CNC(=O)c1ccnc(CN)c1)Sc1ccc(Br)cc1 ZINC000463479056 566413936 /nfs/dbraw/zinc/41/39/36/566413936.db2.gz PIJUZRXYLCITBK-LLVKDONJSA-N 0 1 380.311 3.213 20 0 GGADMN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccnc(CN)c1 ZINC000463481915 566414067 /nfs/dbraw/zinc/41/40/67/566414067.db2.gz QKTPMTYUPMNXNU-MRXNPFEDSA-N 0 1 390.281 3.289 20 0 GGADMN Cc1cc(N2CCC[C@H](N3CCN(C(C)C)CC3)C2=O)ccc1Br ZINC000463477872 566414139 /nfs/dbraw/zinc/41/41/39/566414139.db2.gz FBTBGOVFVDNUPO-SFHVURJKSA-N 0 1 394.357 3.279 20 0 GGADMN COC(=O)c1coc([C@H](C)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000447540483 566414371 /nfs/dbraw/zinc/41/43/71/566414371.db2.gz JGPIOOFERBMWRS-CMPLNLGQSA-N 0 1 388.247 3.464 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2C[C@@H](O)C(C)(C)C2)C1=O ZINC000510815007 566415036 /nfs/dbraw/zinc/41/50/36/566415036.db2.gz VKOPKCLCSBWANE-HZPDHXFCSA-N 0 1 395.341 3.264 20 0 GGADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000536945198 566415218 /nfs/dbraw/zinc/41/52/18/566415218.db2.gz SLVYAQKPCOCPFA-KBXCAEBGSA-N 0 1 383.330 3.373 20 0 GGADMN COc1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1O ZINC000484112321 566415649 /nfs/dbraw/zinc/41/56/49/566415649.db2.gz SXXVDZCXZUWYAD-UHFFFAOYSA-N 0 1 379.768 3.456 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N2C[C@@H](O)C(C)(C)C2)C1=O ZINC000510815009 566415947 /nfs/dbraw/zinc/41/59/47/566415947.db2.gz VKOPKCLCSBWANE-JKSUJKDBSA-N 0 1 395.341 3.264 20 0 GGADMN CCNC(=O)C[C@@H]1CCCCN1Cc1cc(Br)c2c(c1)OCCO2 ZINC000671310074 566415980 /nfs/dbraw/zinc/41/59/80/566415980.db2.gz SATWTKJKVMRCOC-AWEZNQCLSA-N 0 1 397.313 3.101 20 0 GGADMN CSC[C@@H](CCO)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484154565 566417108 /nfs/dbraw/zinc/41/71/08/566417108.db2.gz CDMPXUQNJQWMBG-BXUZGUMPSA-N 0 1 399.358 3.103 20 0 GGADMN C[C@H](N[C@@H]1CCc2c1cccc2Br)c1cccc(S(N)(=O)=O)c1 ZINC000537014301 566418313 /nfs/dbraw/zinc/41/83/13/566418313.db2.gz JLQMWYJGRBILEY-APPDUMDISA-N 0 1 395.322 3.435 20 0 GGADMN Cc1c(Br)ccc(NC(=O)c2cnc3c(cnn3C)c2O)c1F ZINC000447638530 566418832 /nfs/dbraw/zinc/41/88/32/566418832.db2.gz AVVGDJGUTBNIIV-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN Cc1c(Br)ccc(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)c1F ZINC000447638530 566418845 /nfs/dbraw/zinc/41/88/45/566418845.db2.gz AVVGDJGUTBNIIV-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN O=C(Nc1nnc(C2CCOCC2)s1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000650058797 566418918 /nfs/dbraw/zinc/41/89/18/566418918.db2.gz JZXOXAMYKWGKCO-QWRGUYRKSA-N 0 1 379.404 3.118 20 0 GGADMN O=C(Nc1nnc(C2CCOCC2)s1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000650058796 566418934 /nfs/dbraw/zinc/41/89/34/566418934.db2.gz JZXOXAMYKWGKCO-MNOVXSKESA-N 0 1 379.404 3.118 20 0 GGADMN CSC[C@H](CCO)N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000484154566 566419622 /nfs/dbraw/zinc/41/96/22/566419622.db2.gz CDMPXUQNJQWMBG-FZMZJTMJSA-N 0 1 399.358 3.103 20 0 GGADMN O=C(c1ccc(F)c(Br)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000463577865 566419968 /nfs/dbraw/zinc/41/99/68/566419968.db2.gz MIXFGZVQEXUTCK-UHFFFAOYSA-N 0 1 399.304 3.163 20 0 GGADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447646600 566420590 /nfs/dbraw/zinc/42/05/90/566420590.db2.gz SOSAUGQXWZKUFU-UWVGGRQHSA-N 0 1 382.835 3.262 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CN1C1CC1 ZINC000447646602 566420770 /nfs/dbraw/zinc/42/07/70/566420770.db2.gz SOSAUGQXWZKUFU-ZJUUUORDSA-N 0 1 382.835 3.262 20 0 GGADMN CCn1c(SCCN2C[C@H]3CC[C@@H](C2)O3)nc2sc(C)c(C)c2c1=O ZINC000537070574 566420988 /nfs/dbraw/zinc/42/09/88/566420988.db2.gz JNCRQFCOJFIVAL-OKILXGFUSA-N 0 1 379.551 3.050 20 0 GGADMN Cc1nc(C)c([C@@H](C)NCCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000510930123 566421185 /nfs/dbraw/zinc/42/11/85/566421185.db2.gz QXQWIMAUHDPHTJ-SECBINFHSA-N 0 1 391.921 3.182 20 0 GGADMN CC1(C)CCc2sc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)nc21 ZINC000421965138 566421542 /nfs/dbraw/zinc/42/15/42/566421542.db2.gz NAVNCXBFRCRWNO-UHFFFAOYSA-N 0 1 383.470 3.130 20 0 GGADMN CSc1n[nH]c(NC(=O)CCc2nc3cc(Br)ccc3s2)n1 ZINC000463631319 566422388 /nfs/dbraw/zinc/42/23/88/566422388.db2.gz WVCXPCWZDIMLKM-UHFFFAOYSA-N 0 1 398.311 3.470 20 0 GGADMN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccccc1I ZINC000510943555 566422854 /nfs/dbraw/zinc/42/28/54/566422854.db2.gz HEPVEDBYKOLGRK-TUKIKUTGSA-N 0 1 384.261 3.095 20 0 GGADMN COc1ccccc1[C@H](C)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510947451 566422944 /nfs/dbraw/zinc/42/29/44/566422944.db2.gz HGMHFGPOGSPVMO-LBPRGKRZSA-N 0 1 386.876 3.117 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCC2(c3cccc(Br)c3)CCC2)n[nH]1 ZINC000484280374 566423679 /nfs/dbraw/zinc/42/36/79/566423679.db2.gz HMEWAMQYYQQXND-NSHDSACASA-N 0 1 392.301 3.358 20 0 GGADMN COC(=O)CCN(Cc1cccc(Br)c1)Cc1ccnc(OC)c1 ZINC000484319859 566425019 /nfs/dbraw/zinc/42/50/19/566425019.db2.gz CRQSDACYCNUBSH-UHFFFAOYSA-N 0 1 393.281 3.418 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1C[C@H](O)Cc2ccccc21 ZINC000447712676 566425097 /nfs/dbraw/zinc/42/50/97/566425097.db2.gz GFQYGXHQWUUEFT-OAHLLOKOSA-N 0 1 398.260 3.403 20 0 GGADMN COC(=O)[C@H](C)N(CCC(=O)Nc1ccc(Br)cc1)C1CCC1 ZINC000484327924 566425450 /nfs/dbraw/zinc/42/54/50/566425450.db2.gz HUAJIKRPICMEON-LBPRGKRZSA-N 0 1 383.286 3.194 20 0 GGADMN Cc1nc(=NC(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)[nH]n1C ZINC000557828169 566425644 /nfs/dbraw/zinc/42/56/44/566425644.db2.gz QVQBPMXEOLIHAN-UHFFFAOYSA-N 0 1 378.219 3.292 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000484317390 566425661 /nfs/dbraw/zinc/42/56/61/566425661.db2.gz VXWNDADTQDVDOT-UHFFFAOYSA-N 0 1 377.941 3.421 20 0 GGADMN CCS(=O)(=O)N(C)C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000447748318 566425864 /nfs/dbraw/zinc/42/58/64/566425864.db2.gz XEGHCHDVUXTGMT-UHFFFAOYSA-N 0 1 376.925 3.158 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000626582526 566425935 /nfs/dbraw/zinc/42/59/35/566425935.db2.gz CCBLQZXFSYVJOO-NSHDSACASA-N 0 1 378.822 3.276 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)NC2(Cc3ccccc3Br)CC2)n[nH]1 ZINC000577337863 566426224 /nfs/dbraw/zinc/42/62/24/566426224.db2.gz QEPINHBNWQKIIV-LBPRGKRZSA-N 0 1 391.313 3.486 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1Br)c1ccc([S@@](C)=O)cc1 ZINC000537160935 566426841 /nfs/dbraw/zinc/42/68/41/566426841.db2.gz PIGUEBQVMXOJLM-DAOPMYJZSA-N 0 1 395.322 3.476 20 0 GGADMN Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2sccc2Cl)CCCN1C1CC1 ZINC000650130844 566427092 /nfs/dbraw/zinc/42/70/92/566427092.db2.gz MZPOTIVMSFJQFG-WBMJQRKESA-N 0 1 378.929 3.481 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000650148175 566427585 /nfs/dbraw/zinc/42/75/85/566427585.db2.gz JSIZDLNOPBUURE-MCIONIFRSA-N 0 1 391.313 3.188 20 0 GGADMN Cc1ocnc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000577355104 566427678 /nfs/dbraw/zinc/42/76/78/566427678.db2.gz LPIWCMQNOAQHIX-NSHDSACASA-N 0 1 393.285 3.138 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000447772119 566427807 /nfs/dbraw/zinc/42/78/07/566427807.db2.gz HGJSLJDEFQGWJY-INIZCTEOSA-N 0 1 376.869 3.446 20 0 GGADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422041635 566428602 /nfs/dbraw/zinc/42/86/02/566428602.db2.gz UQGAMMVTSALHDN-BBRMVZONSA-N 0 1 381.314 3.211 20 0 GGADMN CS(=O)(=O)C[C@@H](NCCOc1ccc(Br)cc1)c1ccccc1 ZINC000537175708 566428605 /nfs/dbraw/zinc/42/86/05/566428605.db2.gz XFOGYXKDEJRMTF-QGZVFWFLSA-N 0 1 398.322 3.203 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)ccc1F ZINC000447780101 566428642 /nfs/dbraw/zinc/42/86/42/566428642.db2.gz WRXDPBPHDZWANQ-UHFFFAOYSA-N 0 1 375.805 3.306 20 0 GGADMN COc1ccc(CCC(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1Br ZINC000650148658 566428619 /nfs/dbraw/zinc/42/86/19/566428619.db2.gz RNONQBICUDPGGY-MGPQQGTHSA-N 0 1 383.330 3.330 20 0 GGADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422041636 566428776 /nfs/dbraw/zinc/42/87/76/566428776.db2.gz UQGAMMVTSALHDN-CJNGLKHVSA-N 0 1 381.314 3.211 20 0 GGADMN C[C@H](CNS(=O)(=O)Cc1cc(Cl)ccc1Br)N1CCCC1 ZINC000577367622 566428831 /nfs/dbraw/zinc/42/88/31/566428831.db2.gz APUXQQNEPBZZBN-LLVKDONJSA-N 0 1 395.750 3.006 20 0 GGADMN C[C@@H]1[C@H](C)N(C(=O)c2cn(-c3ccc(Br)cc3)cn2)[C@@H](C)CN1C ZINC000650152367 566428869 /nfs/dbraw/zinc/42/88/69/566428869.db2.gz CZYZWPCGHHTNFU-MJBXVCDLSA-N 0 1 391.313 3.188 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000650149642 566429083 /nfs/dbraw/zinc/42/90/83/566429083.db2.gz GOTWLNOSBYCYFX-MGPQQGTHSA-N 0 1 391.313 3.188 20 0 GGADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000650148176 566429144 /nfs/dbraw/zinc/42/91/44/566429144.db2.gz JSIZDLNOPBUURE-MGPQQGTHSA-N 0 1 391.313 3.188 20 0 GGADMN Cc1cc(C(C)(C)C(=O)N2CC[C@H](c3nc[nH]n3)C2)ccc1Br ZINC000577365961 566429270 /nfs/dbraw/zinc/42/92/70/566429270.db2.gz UMLLMBCAGRFHGL-LBPRGKRZSA-N 0 1 377.286 3.169 20 0 GGADMN CC(C)Cc1ccc([C@@H](C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)[NH+](C)C)cc1 ZINC000557860973 566429429 /nfs/dbraw/zinc/42/94/29/566429429.db2.gz HMQIJVKIQSRQKL-XJKSGUPXSA-N 0 1 380.476 3.358 20 0 GGADMN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)sc1Br ZINC000557854487 566429969 /nfs/dbraw/zinc/42/99/69/566429969.db2.gz XVAZDXJVYQWZPC-NEPJUHHUSA-N 0 1 393.372 3.066 20 0 GGADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1ccc(F)cc1 ZINC000577381283 566430364 /nfs/dbraw/zinc/43/03/64/566430364.db2.gz UYIMMPXCJFTNMK-KRWDZBQOSA-N 0 1 394.240 3.479 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1OC ZINC000447785633 566430443 /nfs/dbraw/zinc/43/04/43/566430443.db2.gz IXITUULGJJUWOF-UHFFFAOYSA-N 0 1 384.797 3.005 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1ccc(F)cc1 ZINC000577381284 566430655 /nfs/dbraw/zinc/43/06/55/566430655.db2.gz UYIMMPXCJFTNMK-QGZVFWFLSA-N 0 1 394.240 3.479 20 0 GGADMN COC(=O)[C@H](C)N(CCC(=O)Nc1cccc(Br)c1)C1CCC1 ZINC000484467723 566431173 /nfs/dbraw/zinc/43/11/73/566431173.db2.gz AVQBZHVGVHXJLF-LBPRGKRZSA-N 0 1 383.286 3.194 20 0 GGADMN Cn1ccnc1[C@@H](NCCOc1ccc(I)cc1)C1CC1 ZINC000511049560 566431642 /nfs/dbraw/zinc/43/16/42/566431642.db2.gz MFKZHMJKZCIMIS-HNNXBMFYSA-N 0 1 397.260 3.144 20 0 GGADMN CC(C)(C)c1ncc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)s1 ZINC000577416392 566432283 /nfs/dbraw/zinc/43/22/83/566432283.db2.gz ALPUATQTQYWZHW-CYBMUJFWSA-N 0 1 399.607 3.445 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000484487495 566432355 /nfs/dbraw/zinc/43/23/55/566432355.db2.gz KONIKQAJVNDWOO-UHFFFAOYSA-N 0 1 377.315 3.221 20 0 GGADMN O=C([O-])C1(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)CC1 ZINC000577411181 566432634 /nfs/dbraw/zinc/43/26/34/566432634.db2.gz HKITVIVDJQJTGN-ZDUSSCGKSA-N 0 1 385.245 3.020 20 0 GGADMN Cc1ccc(-c2nc(CS(=O)(=O)Cc3n[nH]c(C(C)(C)C)n3)cs2)o1 ZINC000650184828 566433153 /nfs/dbraw/zinc/43/31/53/566433153.db2.gz AKYUBBYWQLZTBZ-UHFFFAOYSA-N 0 1 380.495 3.242 20 0 GGADMN Cc1ccc(-c2cc(=NC(=O)[C@H]3COc4ccc(Br)cc43)[nH][nH]2)o1 ZINC000447809083 566433746 /nfs/dbraw/zinc/43/37/46/566433746.db2.gz ZLTWWQREBFLOPR-LBPRGKRZSA-N 0 1 388.221 3.277 20 0 GGADMN Cc1ccc(-c2cc(=NC(=O)[C@@H]3COc4ccc(Br)cc43)[nH][nH]2)o1 ZINC000447809082 566433797 /nfs/dbraw/zinc/43/37/97/566433797.db2.gz ZLTWWQREBFLOPR-GFCCVEGCSA-N 0 1 388.221 3.277 20 0 GGADMN CC(C)C[NH+]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000577426907 566434131 /nfs/dbraw/zinc/43/41/31/566434131.db2.gz MAWPNXOFEZYPJT-UHFFFAOYSA-N 0 1 392.297 3.117 20 0 GGADMN CC(C)CN1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000577426907 566434135 /nfs/dbraw/zinc/43/41/35/566434135.db2.gz MAWPNXOFEZYPJT-UHFFFAOYSA-N 0 1 392.297 3.117 20 0 GGADMN COc1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1C)NC(=O)CC2 ZINC000463793735 566434829 /nfs/dbraw/zinc/43/48/29/566434829.db2.gz MEOZKIQHCOVCRQ-UHFFFAOYSA-N 0 1 380.853 3.343 20 0 GGADMN C[C@@H](C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000463790228 566435111 /nfs/dbraw/zinc/43/51/11/566435111.db2.gz RXSGPHKYTDLBIZ-ZDUSSCGKSA-N 0 1 377.838 3.167 20 0 GGADMN CS[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H]1N(C)C ZINC000537283545 566435733 /nfs/dbraw/zinc/43/57/33/566435733.db2.gz YZTVQXBCXMECFP-XDEPDNQISA-N 0 1 381.394 3.078 20 0 GGADMN O=C(NCCc1c[nH]c2ccc(Br)cc12)NCCN1CC=CCC1 ZINC000577452518 566436019 /nfs/dbraw/zinc/43/60/19/566436019.db2.gz MXGRGKLRMBCMJO-UHFFFAOYSA-N 0 1 391.313 3.034 20 0 GGADMN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)S(=O)(=O)c1ccsc1 ZINC000671676347 566436680 /nfs/dbraw/zinc/43/66/80/566436680.db2.gz AQZSLPCODZOEEB-INIZCTEOSA-N 0 1 380.535 3.129 20 0 GGADMN Cc1cc(NC(=O)c2nc(Cc3cc(F)cc(Br)c3)no2)no1 ZINC000671670334 566436811 /nfs/dbraw/zinc/43/68/11/566436811.db2.gz FPHKAZZDMHOJCA-UHFFFAOYSA-N 0 1 381.161 3.111 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601985488 566437256 /nfs/dbraw/zinc/43/72/56/566437256.db2.gz ZKRYHTQFIPFCMY-HEHGZKQESA-N 0 1 386.945 3.434 20 0 GGADMN CCC[N@@H+](C)[C@H](CNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601985482 566437369 /nfs/dbraw/zinc/43/73/69/566437369.db2.gz ZKRYHTQFIPFCMY-DVOMOZLQSA-N 0 1 386.945 3.434 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC[C@H]1Cc1ccccc1Br ZINC000422178079 566438484 /nfs/dbraw/zinc/43/84/84/566438484.db2.gz RXIHENFUDGOMLZ-HNNXBMFYSA-N 0 1 377.286 3.397 20 0 GGADMN C[C@](O)(CNCc1cc(Br)ccc1OC(F)F)C(F)(F)F ZINC000537326732 566438692 /nfs/dbraw/zinc/43/86/92/566438692.db2.gz CSDWQQZQXSAATJ-NSHDSACASA-N 0 1 378.135 3.453 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)NC2(c3nnc[nH]3)CCC2)c1Cl ZINC000671685322 566438709 /nfs/dbraw/zinc/43/87/09/566438709.db2.gz YFIRAUALNOEDRS-UHFFFAOYSA-N 0 1 375.281 3.086 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCO[C@H](C2CCC2)C1 ZINC000577481155 566438700 /nfs/dbraw/zinc/43/87/00/566438700.db2.gz QWDIGEKRYKWKBI-AWEZNQCLSA-N 0 1 393.285 3.036 20 0 GGADMN CCCN(C)[C@@H](CNS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000671686796 566438885 /nfs/dbraw/zinc/43/88/85/566438885.db2.gz ZHVFRSSHNZSGDK-ROUUACIJSA-N 0 1 388.961 3.211 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)c2ccc(OC)c(Br)c2)n1C ZINC000601995534 566438980 /nfs/dbraw/zinc/43/89/80/566438980.db2.gz DKRWWDOUOVYESI-LLVKDONJSA-N 0 1 381.270 3.434 20 0 GGADMN O=S(=O)(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1c(Cl)ccc(F)c1F ZINC000650215970 566439232 /nfs/dbraw/zinc/43/92/32/566439232.db2.gz DENZMAAWURLZQY-BXUZGUMPSA-N 0 1 388.823 3.212 20 0 GGADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447867812 566439334 /nfs/dbraw/zinc/43/93/34/566439334.db2.gz FVLKODFFARPRKV-UHFFFAOYSA-N 0 1 382.423 3.339 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC[C@@H](CCO)CC1 ZINC000422209148 566439897 /nfs/dbraw/zinc/43/98/97/566439897.db2.gz NKKAUEDRRXXGNG-GFCCVEGCSA-N 0 1 395.301 3.020 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3O)cc2)CC1 ZINC000537349780 566440743 /nfs/dbraw/zinc/44/07/43/566440743.db2.gz SEVQCGRLASSNCX-UHFFFAOYSA-N 0 1 381.837 3.051 20 0 GGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000577500594 566441242 /nfs/dbraw/zinc/44/12/42/566441242.db2.gz WOWDHYVYFQEKEY-ZYHUDNBSSA-N 0 1 394.693 3.027 20 0 GGADMN CCO[C@@H]1COCC[C@@H]1NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000484634399 566441666 /nfs/dbraw/zinc/44/16/66/566441666.db2.gz GWYKHRZYZOQFBB-QWHCGFSZSA-N 0 1 381.687 3.369 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000463963209 566441858 /nfs/dbraw/zinc/44/18/58/566441858.db2.gz YUZBRIUNJFMQIF-GFCCVEGCSA-N 0 1 395.301 3.180 20 0 GGADMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000484634394 566442274 /nfs/dbraw/zinc/44/22/74/566442274.db2.gz GWYKHRZYZOQFBB-CHWSQXEVSA-N 0 1 381.687 3.369 20 0 GGADMN CC(C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000577551298 566443297 /nfs/dbraw/zinc/44/32/97/566443297.db2.gz 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O=C(NCCc1c[nH]c2cccc(Br)c12)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578183769 566499087 /nfs/dbraw/zinc/49/90/87/566499087.db2.gz JVINVYKTJMPIGU-CYBMUJFWSA-N 0 1 391.313 3.009 20 0 GGADMN CCc1n[nH]c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1Br ZINC000558681613 566499202 /nfs/dbraw/zinc/49/92/02/566499202.db2.gz SISJBXNWZZZGAN-GFCCVEGCSA-N 0 1 397.342 3.363 20 0 GGADMN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCCC(=O)C1CC1 ZINC000448817121 566499771 /nfs/dbraw/zinc/49/97/71/566499771.db2.gz VRUGCYMCWWLFNP-UHFFFAOYSA-N 0 1 395.341 3.489 20 0 GGADMN O=C(Cc1ccc(F)c(Br)c1)N1CCNC[C@@H]1c1ccccc1 ZINC000423991845 566500567 /nfs/dbraw/zinc/50/05/67/566500567.db2.gz FNGFUJFNARLPLE-QGZVFWFLSA-N 0 1 377.257 3.304 20 0 GGADMN COCCOC[C@H]1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000464730815 566500920 /nfs/dbraw/zinc/50/09/20/566500920.db2.gz LXHOTJYONUWSNU-ZAMGYDSWSA-N 0 1 380.337 3.086 20 0 GGADMN C[C@@H](Oc1ccccc1Br)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423988911 566501002 /nfs/dbraw/zinc/50/10/02/566501002.db2.gz AYBPPKQNTIGTBQ-PBHICJAKSA-N 0 1 389.293 3.390 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](CO)c1ccc(Cl)cc1)c1cccs1 ZINC000672676326 566501141 /nfs/dbraw/zinc/50/11/41/566501141.db2.gz TVSLLQFCONQVKS-GOEBONIOSA-N 0 1 381.929 3.080 20 0 GGADMN O=C([C@@H]1COc2ccc(Br)cc21)N1CCNC[C@H]1c1ccccc1 ZINC000423990530 566501181 /nfs/dbraw/zinc/50/11/81/566501181.db2.gz CNEDVLNRKVSXMW-SJORKVTESA-N 0 1 387.277 3.098 20 0 GGADMN COc1ccc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)c(Br)c1 ZINC000511975434 566501679 /nfs/dbraw/zinc/50/16/79/566501679.db2.gz VUPLRHQDQVLBKI-DLBZAZTESA-N 0 1 380.286 3.119 20 0 GGADMN CC(C)c1n[nH]c(C(=O)N2CCNC[C@@H]2c2ccccc2)c1Br ZINC000424005359 566502181 /nfs/dbraw/zinc/50/21/81/566502181.db2.gz SUINPTUVUYFHPP-CYBMUJFWSA-N 0 1 377.286 3.082 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nsc3ccc(C)cc32)c1 ZINC000485482464 566502263 /nfs/dbraw/zinc/50/22/63/566502263.db2.gz RXUFKFXLQVLKES-UHFFFAOYSA-N 0 1 376.459 3.356 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](CO)c1ccc(Cl)cc1)c1ccsc1 ZINC000672724093 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COc1nc(C)c(Br)cc1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000485498347 566504904 /nfs/dbraw/zinc/50/49/04/566504904.db2.gz SEIFDQJOPPRCSL-UHFFFAOYSA-N 0 1 393.285 3.212 20 0 GGADMN CS(=O)(=O)c1ccc(OCCNCc2cscc2Br)cc1 ZINC000512020862 566505409 /nfs/dbraw/zinc/50/54/09/566505409.db2.gz AJPCWUKLUFQINU-UHFFFAOYSA-N 0 1 390.324 3.083 20 0 GGADMN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000578251520 566505506 /nfs/dbraw/zinc/50/55/06/566505506.db2.gz CKSPFDMFKZKXDP-MRXNPFEDSA-N 0 1 376.975 3.179 20 0 GGADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000485492991 566505660 /nfs/dbraw/zinc/50/56/60/566505660.db2.gz MBCIOOXBWRFEMR-KGLIPLIRSA-N 0 1 393.325 3.473 20 0 GGADMN COc1cc(CCNCc2ncc(I)s2)ccc1C ZINC000512014623 566505829 /nfs/dbraw/zinc/50/58/29/566505829.db2.gz LMZXPDOKHIUCBH-UHFFFAOYSA-N 0 1 388.274 3.397 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)OC)c(F)c2)c1 ZINC000578269056 566506228 /nfs/dbraw/zinc/50/62/28/566506228.db2.gz RIABSGFNQNXODD-UHFFFAOYSA-N 0 1 387.816 3.213 20 0 GGADMN COc1cc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc(OC)c1Br ZINC000538325793 566507125 /nfs/dbraw/zinc/50/71/25/566507125.db2.gz GEJCTLAHSVXRLN-NSHDSACASA-N 0 1 395.257 3.389 20 0 GGADMN COC(=O)c1ncc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl ZINC000603054041 566507212 /nfs/dbraw/zinc/50/72/12/566507212.db2.gz QEGGGCRSUAAOBI-GFCCVEGCSA-N 0 1 382.873 3.008 20 0 GGADMN COC(=O)c1ncc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1Cl ZINC000603053476 566507584 /nfs/dbraw/zinc/50/75/84/566507584.db2.gz LWYHONIBPAPLKM-CYBMUJFWSA-N 0 1 382.873 3.008 20 0 GGADMN COC(=O)c1ncc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1Cl ZINC000603053478 566507615 /nfs/dbraw/zinc/50/76/15/566507615.db2.gz LWYHONIBPAPLKM-ZDUSSCGKSA-N 0 1 382.873 3.008 20 0 GGADMN COC(=O)CCSc1cc(Cl)ccc1NC(=O)N1CCCN(C)CC1 ZINC000603070884 566508505 /nfs/dbraw/zinc/50/85/05/566508505.db2.gz YWFNEJUFAQGGCN-UHFFFAOYSA-N 0 1 385.917 3.165 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(O)ccc2Br)C[C@H](C)O1 ZINC000512050304 566508897 /nfs/dbraw/zinc/50/88/97/566508897.db2.gz CHCVWMGSBOHLQR-LZWOXQAQSA-N 0 1 383.330 3.228 20 0 GGADMN COC(=O)c1occc1CNC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000538378701 566509581 /nfs/dbraw/zinc/50/95/81/566509581.db2.gz YVFPCQTXFNLYNA-CYBMUJFWSA-N 0 1 393.281 3.445 20 0 GGADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(I)ccc1C ZINC000578296429 566509679 /nfs/dbraw/zinc/50/96/79/566509679.db2.gz OYQDOAFTETVHPV-ZDUSSCGKSA-N 0 1 387.265 3.158 20 0 GGADMN COc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1Br ZINC000578303617 566509809 /nfs/dbraw/zinc/50/98/09/566509809.db2.gz YWKLCVAOWXLREI-MRVPVSSYSA-N 0 1 395.091 3.373 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCc2ccnn2C)CC1 ZINC000558832081 566509863 /nfs/dbraw/zinc/50/98/63/566509863.db2.gz YPBWKPSJLWSSQN-IBGZPJMESA-N 0 1 391.357 3.494 20 0 GGADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cncc(-n2ccnn2)c1 ZINC000558830263 566510307 /nfs/dbraw/zinc/51/03/07/566510307.db2.gz HWBLIEOQOWHNDE-UHFFFAOYSA-N 0 1 394.616 3.036 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CNCc2ccccc2Br)c1 ZINC000578316013 566510819 /nfs/dbraw/zinc/51/08/19/566510819.db2.gz JHKGBCISGWQYIN-MRXNPFEDSA-N 0 1 378.266 3.181 20 0 GGADMN C[C@H](CNCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O ZINC000538428533 566511478 /nfs/dbraw/zinc/51/14/78/566511478.db2.gz WODKSQLYQHIFJO-CYBMUJFWSA-N 0 1 380.897 3.115 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000627836616 566511875 /nfs/dbraw/zinc/51/18/75/566511875.db2.gz AUJNFXMWTZSRNA-SECBINFHSA-N 0 1 378.219 3.396 20 0 GGADMN CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)C)CC1 ZINC000558888833 566512875 /nfs/dbraw/zinc/51/28/75/566512875.db2.gz GSPDAMRHEBEKFR-UHFFFAOYSA-N 0 1 378.318 3.258 20 0 GGADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3O)cc2)CC1 ZINC000538448440 566512941 /nfs/dbraw/zinc/51/29/41/566512941.db2.gz QFUZTBKVYFBZIG-UHFFFAOYSA-N 0 1 381.837 3.051 20 0 GGADMN Cc1ccc(Br)cc1CC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000448941812 566513529 /nfs/dbraw/zinc/51/35/29/566513529.db2.gz OPXRGPLDTMJAMN-HNNXBMFYSA-N 0 1 395.341 3.012 20 0 GGADMN Cc1ccc(CC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(Br)c1 ZINC000448940993 566513882 /nfs/dbraw/zinc/51/38/82/566513882.db2.gz KGAQJUPEINSJIM-HNNXBMFYSA-N 0 1 395.341 3.012 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCc2ccc(Br)cc2C1 ZINC000578346907 566514434 /nfs/dbraw/zinc/51/44/34/566514434.db2.gz FLKAYRMTAZPJFY-UHFFFAOYSA-N 0 1 375.201 3.058 20 0 GGADMN CS(=O)(=O)c1ccc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000578348649 566514721 /nfs/dbraw/zinc/51/47/21/566514721.db2.gz SNHDSZNLJSLVCM-HNNXBMFYSA-N 0 1 376.869 3.356 20 0 GGADMN COc1ccc(CNCc2ccc(Cn3cncn3)cc2)c(Br)c1 ZINC000512127232 566515474 /nfs/dbraw/zinc/51/54/74/566515474.db2.gz BBBVYGMUOSOZPQ-UHFFFAOYSA-N 0 1 387.281 3.387 20 0 GGADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000578371406 566516227 /nfs/dbraw/zinc/51/62/27/566516227.db2.gz XOCMWDYKPALHNH-GFCCVEGCSA-N 0 1 384.851 3.464 20 0 GGADMN CC[C@H](NC(=O)CSc1nnc(C)[nH]1)c1cc(F)cc(Br)c1 ZINC000485667791 566516565 /nfs/dbraw/zinc/51/65/65/566516565.db2.gz HICAMHGVQARCLX-LBPRGKRZSA-N 0 1 387.278 3.374 20 0 GGADMN CC[C@H](NC(=O)CSc1nc(C)n[nH]1)c1cc(F)cc(Br)c1 ZINC000485667791 566516568 /nfs/dbraw/zinc/51/65/68/566516568.db2.gz HICAMHGVQARCLX-LBPRGKRZSA-N 0 1 387.278 3.374 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3C[C@@H](C)N(C)C[C@H]3C)c2c1C ZINC000512146956 566516524 /nfs/dbraw/zinc/51/65/24/566516524.db2.gz RKBXXYJJQYMPHQ-VXGBXAGGSA-N 0 1 378.567 3.341 20 0 GGADMN COc1ccc(CCCNCc2ncc(I)s2)cc1 ZINC000512147938 566517484 /nfs/dbraw/zinc/51/74/84/566517484.db2.gz VPWMRIFMACBODA-UHFFFAOYSA-N 0 1 388.274 3.479 20 0 GGADMN O=C(CCCc1ccccc1)NCCNCc1ccc(Br)cn1 ZINC000424190959 566517798 /nfs/dbraw/zinc/51/77/98/566517798.db2.gz QEPFFEHEHLWLGG-UHFFFAOYSA-N 0 1 376.298 3.073 20 0 GGADMN CN1CCOc2ccc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)cc21 ZINC000672945096 566517835 /nfs/dbraw/zinc/51/78/35/566517835.db2.gz AHUGCWRNDLAKTG-UHFFFAOYSA-N 0 1 387.237 3.406 20 0 GGADMN C[C@@H]1C[C@H](N2CCCC2)CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000512181960 566518775 /nfs/dbraw/zinc/51/87/75/566518775.db2.gz CHNPHUMGTCHOEX-HIFRSBDPSA-N 0 1 391.364 3.326 20 0 GGADMN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Br)c1O ZINC000578428326 566520408 /nfs/dbraw/zinc/52/04/08/566520408.db2.gz DDZUHXIIAOSBLG-OAHLLOKOSA-N 0 1 392.249 3.059 20 0 GGADMN O=C(CSc1cccc2cccc(Cl)c21)NCCN1CCC(O)CC1 ZINC000578416891 566520615 /nfs/dbraw/zinc/52/06/15/566520615.db2.gz UELIHWFBBSTXMI-UHFFFAOYSA-N 0 1 378.925 3.158 20 0 GGADMN NC(=O)CC[C@H]1CCCN(Cc2ccnc3c(Br)cccc23)C1 ZINC000449014930 566520731 /nfs/dbraw/zinc/52/07/31/566520731.db2.gz BAZFBNMCNLSOJM-CYBMUJFWSA-N 0 1 376.298 3.475 20 0 GGADMN CN1CC[C@H](CNC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000673042292 566520755 /nfs/dbraw/zinc/52/07/55/566520755.db2.gz FGAAZUKXSSKTEI-PXAZEXFGSA-N 0 1 385.270 3.138 20 0 GGADMN COc1cc(Br)c(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1Cl ZINC000424211305 566522051 /nfs/dbraw/zinc/52/20/51/566522051.db2.gz JRKXMJJGYMXOAI-YFKPBYRVSA-N 0 1 396.612 3.340 20 0 GGADMN NC1(c2noc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)n2)CCCCC1 ZINC000578434661 566521912 /nfs/dbraw/zinc/52/19/12/566521912.db2.gz KHLGVQSGNYZYJB-ZDUSSCGKSA-N 0 1 378.885 3.497 20 0 GGADMN C[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CCC1=O ZINC000512277112 566522615 /nfs/dbraw/zinc/52/26/15/566522615.db2.gz FMZBTVOWMFPFIZ-KOLCDFICSA-N 0 1 377.242 3.178 20 0 GGADMN C[C@H]1C[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CCC1=O ZINC000512277110 566522689 /nfs/dbraw/zinc/52/26/89/566522689.db2.gz FMZBTVOWMFPFIZ-GXSJLCMTSA-N 0 1 377.242 3.178 20 0 GGADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000424251739 566522773 /nfs/dbraw/zinc/52/27/73/566522773.db2.gz CRMGXWGVWMSKFH-HNNXBMFYSA-N 0 1 383.286 3.497 20 0 GGADMN C[C@@H](COC1CCCC1)CS(=O)(=O)N(CCN(C)C)Cc1cccs1 ZINC000559058786 566523027 /nfs/dbraw/zinc/52/30/27/566523027.db2.gz JXRNRZNXRKKAIK-INIZCTEOSA-N 0 1 388.599 3.037 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000449036611 566523695 /nfs/dbraw/zinc/52/36/95/566523695.db2.gz UVSZGGRMJHAJKK-MELADBBJSA-N 0 1 381.314 3.194 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@H](C2CC2)C1 ZINC000449035706 566524140 /nfs/dbraw/zinc/52/41/40/566524140.db2.gz HUMWWNGYACXNDA-JSGCOSHPSA-N 0 1 381.314 3.194 20 0 GGADMN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000651478451 566524487 /nfs/dbraw/zinc/52/44/87/566524487.db2.gz PEPICHZVVIEHKK-RBSFLKMASA-N 0 1 388.327 3.215 20 0 GGADMN COc1ccc([C@@H](C)NCCN(C)S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000424301726 566526236 /nfs/dbraw/zinc/52/62/36/566526236.db2.gz LBOZPBLEWGCIPS-GFCCVEGCSA-N 0 1 388.942 3.381 20 0 GGADMN CC[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(Br)c1 ZINC000485806544 566526965 /nfs/dbraw/zinc/52/69/65/566526965.db2.gz OWWMDNCFWULSRC-BFQNTYOBSA-N 0 1 387.293 3.265 20 0 GGADMN C[S@](=O)C1(CNCc2cc(Br)sc2Br)CC1 ZINC000603435220 566527363 /nfs/dbraw/zinc/52/73/63/566527363.db2.gz UDIVZTYHFBLHRX-INIZCTEOSA-N 0 1 387.162 3.274 20 0 GGADMN C[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C2CC2)O1 ZINC000578495445 566527495 /nfs/dbraw/zinc/52/74/95/566527495.db2.gz XYUBJWIFNUCCHJ-IINYFYTJSA-N 0 1 393.285 3.034 20 0 GGADMN OC[C@@H](CNCc1ncc(I)s1)CC1CCCC1 ZINC000512355091 566527779 /nfs/dbraw/zinc/52/77/79/566527779.db2.gz QJLGVYNEQMUPKS-LLVKDONJSA-N 0 1 380.295 3.026 20 0 GGADMN CC(=O)NC1CCC(N(C)Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485804593 566528009 /nfs/dbraw/zinc/52/80/09/566528009.db2.gz ISEWIKWYPACYPP-UHFFFAOYSA-N 0 1 393.329 3.215 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1c2cc(Br)ccc2CC1(C)C)c1nnc[nH]1 ZINC000559133596 566528494 /nfs/dbraw/zinc/52/84/94/566528494.db2.gz UQDDDQCXAYIRMD-TVQRCGJNSA-N 0 1 378.274 3.251 20 0 GGADMN CCOc1cc(Br)c(CC(=O)NCc2cc(C)[nH]n2)cc1OCC ZINC000603488709 566529314 /nfs/dbraw/zinc/52/93/14/566529314.db2.gz UNRLIGMFRNXTBX-UHFFFAOYSA-N 0 1 396.285 3.137 20 0 GGADMN CCc1c(C(=O)NCc2cc(C)[nH]n2)cnn1-c1ccc(Br)cc1 ZINC000603485674 566529382 /nfs/dbraw/zinc/52/93/82/566529382.db2.gz VTHXFECFVIHLHE-UHFFFAOYSA-N 0 1 388.269 3.159 20 0 GGADMN Cc1cc(Br)cc2cc(C(=O)N[C@@H](CO)CN3CCCCC3)oc21 ZINC000512375792 566529607 /nfs/dbraw/zinc/52/96/07/566529607.db2.gz XZUVZSGCLOKWTC-OAHLLOKOSA-N 0 1 395.297 3.080 20 0 GGADMN COCCOCCS(=O)(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000559148883 566529819 /nfs/dbraw/zinc/52/98/19/566529819.db2.gz ADMBGALIDAPRPU-UHFFFAOYSA-N 0 1 389.873 3.102 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000449103048 566530124 /nfs/dbraw/zinc/53/01/24/566530124.db2.gz ODBKKESLZLXCLG-FGTMMUONSA-N 0 1 395.341 3.026 20 0 GGADMN CSc1cc(C(=O)N[C@@H](CO)CN2CCCCC2)c(Cl)cc1Cl ZINC000512399775 566530536 /nfs/dbraw/zinc/53/05/36/566530536.db2.gz MXDUIBFNFVUDCZ-LLVKDONJSA-N 0 1 377.337 3.292 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)Cc1nc2ccc(Br)cc2n1C ZINC000485828570 566530896 /nfs/dbraw/zinc/53/08/96/566530896.db2.gz BMQQHCSSFRRWCY-UHFFFAOYSA-N 0 1 382.302 3.499 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c(Cl)c1 ZINC000603505098 566530919 /nfs/dbraw/zinc/53/09/19/566530919.db2.gz DPTBAWJBYNRDJZ-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000603505098 566530924 /nfs/dbraw/zinc/53/09/24/566530924.db2.gz DPTBAWJBYNRDJZ-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN CCN(CCNC(=O)c1cc(Br)ccc1OC)CCC(F)(F)F ZINC000559171021 566531112 /nfs/dbraw/zinc/53/11/12/566531112.db2.gz MOOAGWUPMUBQJI-UHFFFAOYSA-N 0 1 397.235 3.462 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)Nc1ncccn1)c1cc(F)cc(Br)c1 ZINC000485833347 566531064 /nfs/dbraw/zinc/53/10/64/566531064.db2.gz UIEBDZLRPLLROL-HZMBPMFUSA-N 0 1 381.249 3.446 20 0 GGADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1scnc1C ZINC000449126914 566531147 /nfs/dbraw/zinc/53/11/47/566531147.db2.gz NTQKZACFHFLHLR-LLVKDONJSA-N 0 1 398.326 3.017 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1Cl ZINC000603504877 566531056 /nfs/dbraw/zinc/53/10/56/566531056.db2.gz YKSPOEZBZGTLAG-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN Cc1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1Cl ZINC000603504877 566531062 /nfs/dbraw/zinc/53/10/62/566531062.db2.gz YKSPOEZBZGTLAG-UHFFFAOYSA-N 0 1 380.832 3.051 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000538742409 566531384 /nfs/dbraw/zinc/53/13/84/566531384.db2.gz MUODSWZLUIOARQ-RYUDHWBXSA-N 0 1 381.881 3.284 20 0 GGADMN COc1cc(CCNS(=O)(=O)c2c(F)cc(F)cc2F)ccc1Cl ZINC000559158394 566531611 /nfs/dbraw/zinc/53/16/11/566531611.db2.gz SEMBRJJMCBWIDD-UHFFFAOYSA-N 0 1 379.787 3.287 20 0 GGADMN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000538742408 566531671 /nfs/dbraw/zinc/53/16/71/566531671.db2.gz MUODSWZLUIOARQ-NWDGAFQWSA-N 0 1 381.881 3.284 20 0 GGADMN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC000538742407 566531845 /nfs/dbraw/zinc/53/18/45/566531845.db2.gz MUODSWZLUIOARQ-NEPJUHHUSA-N 0 1 381.881 3.284 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Br)c1O ZINC000538742230 566531934 /nfs/dbraw/zinc/53/19/34/566531934.db2.gz YVWYAXYLBSPRHG-BPNCWPANSA-N 0 1 382.254 3.101 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNCC1(C)COC1 ZINC000449139057 566531976 /nfs/dbraw/zinc/53/19/76/566531976.db2.gz JXWXHWRZPVZGOL-UHFFFAOYSA-N 0 1 384.263 3.092 20 0 GGADMN COc1cc(C(=O)N2CC(N(C)Cc3ccccc3)C2)sc1Br ZINC000512421015 566532181 /nfs/dbraw/zinc/53/21/81/566532181.db2.gz PDNODJIDYZTASB-UHFFFAOYSA-N 0 1 395.322 3.476 20 0 GGADMN Cc1ccc(CCC(=O)N2CCC(N3CCOCC3)CC2)c(Br)c1 ZINC000628123127 566532186 /nfs/dbraw/zinc/53/21/86/566532186.db2.gz BJBUXEXBYGBGGC-UHFFFAOYSA-N 0 1 395.341 3.013 20 0 GGADMN CC(C)(C(=O)N1CCC(N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000628126659 566532245 /nfs/dbraw/zinc/53/22/45/566532245.db2.gz ATJNCHPVSHWKOP-UHFFFAOYSA-N 0 1 395.341 3.050 20 0 GGADMN O=C(CSc1cc(Cl)ccc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000628129263 566532462 /nfs/dbraw/zinc/53/24/62/566532462.db2.gz SROPXXSLARFEQD-UHFFFAOYSA-N 0 1 389.348 3.409 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000628126470 566532512 /nfs/dbraw/zinc/53/25/12/566532512.db2.gz SBMXTAGQFTVYOB-IAGOWNOFSA-N 0 1 383.319 3.420 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(N2CCOCC2)CC1 ZINC000628121473 566533064 /nfs/dbraw/zinc/53/30/64/566533064.db2.gz IHVXONQAJDMCKU-JKSUJKDBSA-N 0 1 383.319 3.420 20 0 GGADMN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC(N2CCOCC2)CC1 ZINC000628124872 566533104 /nfs/dbraw/zinc/53/31/04/566533104.db2.gz ALTBSSWYAYLPJW-MSOLQXFVSA-N 0 1 383.319 3.420 20 0 GGADMN CCCN1CC[C@H](NC(=O)c2scc(Br)c2Br)C1 ZINC000628132496 566533877 /nfs/dbraw/zinc/53/38/77/566533877.db2.gz HPBWBBJECSCHAI-QMMMGPOBSA-N 0 1 396.148 3.487 20 0 GGADMN O=C(C1CCC1)N1CCN(CCNCc2cc(Cl)sc2Cl)CC1 ZINC000449147907 566534010 /nfs/dbraw/zinc/53/40/10/566534010.db2.gz INLWLRKZUQVFOT-UHFFFAOYSA-N 0 1 376.353 3.089 20 0 GGADMN COc1nccc(CNCCSCCOc2cccc(Br)c2)n1 ZINC000449158384 566534040 /nfs/dbraw/zinc/53/40/40/566534040.db2.gz TTYXOYHBWKKYRK-UHFFFAOYSA-N 0 1 398.326 3.150 20 0 GGADMN CSCc1cnc(CNC[C@@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000559233237 566534598 /nfs/dbraw/zinc/53/45/98/566534598.db2.gz OAQMUTNSWZDDNX-HNNXBMFYSA-N 0 1 382.624 3.146 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@@H]1COc2ccccc2C1 ZINC000603556778 566534756 /nfs/dbraw/zinc/53/47/56/566534756.db2.gz LGSDKRJMUYAQRJ-LBPRGKRZSA-N 0 1 399.248 3.424 20 0 GGADMN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Br)cc2cccnc21 ZINC000512456287 566534905 /nfs/dbraw/zinc/53/49/05/566534905.db2.gz LTHKRHDBGFVMKI-KBXCAEBGSA-N 0 1 390.325 3.292 20 0 GGADMN C[C@H](C(=O)NC(C)(C)C)N(C)CCC(=O)Nc1ccc(Br)cc1 ZINC000485880906 566535119 /nfs/dbraw/zinc/53/51/19/566535119.db2.gz CNMYVSZBZAQEEH-GFCCVEGCSA-N 0 1 384.318 3.013 20 0 GGADMN Cc1ccc(F)c(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1Br ZINC000673440794 566535535 /nfs/dbraw/zinc/53/55/35/566535535.db2.gz GXEJYTIELMIPET-VIFPVBQESA-N 0 1 384.205 3.005 20 0 GGADMN Cc1ccc(CC(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1Br ZINC000673442695 566535640 /nfs/dbraw/zinc/53/56/40/566535640.db2.gz FZGOICAVJGLJOZ-QGZVFWFLSA-N 0 1 395.341 3.013 20 0 GGADMN Cc1cccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1Br ZINC000673442442 566535678 /nfs/dbraw/zinc/53/56/78/566535678.db2.gz FRNPCZHHDLNZKV-HNNXBMFYSA-N 0 1 381.314 3.084 20 0 GGADMN Cc1cc(CN2CCC(CCN3CCOCC3)CC2)ncc1Br ZINC000628159216 566535749 /nfs/dbraw/zinc/53/57/49/566535749.db2.gz KEYLCXWHPSDMFY-UHFFFAOYSA-N 0 1 382.346 3.087 20 0 GGADMN COC(=O)c1csc(S(=O)(=O)N[C@H](c2cccc(C)c2)C(F)(F)F)c1 ZINC000512448008 566535750 /nfs/dbraw/zinc/53/57/50/566535750.db2.gz PJUMMYUPPFQBDD-CYBMUJFWSA-N 0 1 393.408 3.425 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CCN(C2CCC2)CC1 ZINC000603598866 566535845 /nfs/dbraw/zinc/53/58/45/566535845.db2.gz YFPKMJHRLKUNLB-DLBZAZTESA-N 0 1 378.314 3.185 20 0 GGADMN C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000449189060 566536017 /nfs/dbraw/zinc/53/60/17/566536017.db2.gz OOYGOANACMNABF-ACJLOTCBSA-N 0 1 380.510 3.468 20 0 GGADMN Cc1cc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)ncc1Br ZINC000628155053 566536178 /nfs/dbraw/zinc/53/61/78/566536178.db2.gz OZWQEZWVURVOGY-YQQAZPJKSA-N 0 1 382.346 3.226 20 0 GGADMN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000559260759 566536310 /nfs/dbraw/zinc/53/63/10/566536310.db2.gz BCRULANUHIQYLA-UHFFFAOYSA-N 0 1 395.168 3.446 20 0 GGADMN COc1cc(CN2CCS[C@@H]3COCC[C@@H]32)ccc1OCC(F)(F)F ZINC000538809427 566536305 /nfs/dbraw/zinc/53/63/05/566536305.db2.gz JSTGSHWUNDQJKC-XJKSGUPXSA-N 0 1 377.428 3.343 20 0 GGADMN CSCC[C@H](O)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000538792871 566536556 /nfs/dbraw/zinc/53/65/56/566536556.db2.gz LCWTWHQWLWNSAU-JTQLQIEISA-N 0 1 383.342 3.270 20 0 GGADMN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(Br)c2cccnc12 ZINC000512468796 566536611 /nfs/dbraw/zinc/53/66/11/566536611.db2.gz MLOORMKHTUOXNU-HOCLYGCPSA-N 0 1 390.325 3.292 20 0 GGADMN CN1C[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)c2ccccc2C1=O ZINC000485902761 566537183 /nfs/dbraw/zinc/53/71/83/566537183.db2.gz XQNQHNIIEWQWQE-ZDUSSCGKSA-N 0 1 399.248 3.133 20 0 GGADMN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(Br)c2cccnc12 ZINC000512468794 566537351 /nfs/dbraw/zinc/53/73/51/566537351.db2.gz MLOORMKHTUOXNU-GOEBONIOSA-N 0 1 390.325 3.292 20 0 GGADMN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000673474601 566537346 /nfs/dbraw/zinc/53/73/46/566537346.db2.gz VSUVIUSHRNGKDQ-UHFFFAOYSA-N 0 1 384.841 3.122 20 0 GGADMN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Br)cc2cccnc21 ZINC000512456289 566537522 /nfs/dbraw/zinc/53/75/22/566537522.db2.gz LTHKRHDBGFVMKI-KSSFIOAISA-N 0 1 390.325 3.292 20 0 GGADMN CN(Cc1n[nH]c(=O)o1)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000673477911 566537751 /nfs/dbraw/zinc/53/77/51/566537751.db2.gz AGJBXBMOWHTHDJ-UHFFFAOYSA-N 0 1 380.242 3.008 20 0 GGADMN Cc1cc(Br)c(CNC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1Cl ZINC000449198939 566537761 /nfs/dbraw/zinc/53/77/61/566537761.db2.gz AOSUXRJTMQAAFA-WFASDCNBSA-N 0 1 389.721 3.136 20 0 GGADMN CN(Cc1n[nH]c(=O)o1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000673477920 566537942 /nfs/dbraw/zinc/53/79/42/566537942.db2.gz ATKMABNBXZJWSM-UHFFFAOYSA-N 0 1 385.232 3.478 20 0 GGADMN O=S(=O)(CCNCc1ccc2c(c1)COC2)c1cccc(Br)c1 ZINC000578619233 566538594 /nfs/dbraw/zinc/53/85/94/566538594.db2.gz GYZZEDMUNKOHID-UHFFFAOYSA-N 0 1 396.306 3.043 20 0 GGADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H](C)C[C@H](C)O ZINC000449230710 566538991 /nfs/dbraw/zinc/53/89/91/566538991.db2.gz BEGWELVHXBMOAL-MNOVXSKESA-N 0 1 386.279 3.215 20 0 GGADMN Cc1sc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000424553792 566539262 /nfs/dbraw/zinc/53/92/62/566539262.db2.gz CZVQDYZUEPJKNU-QWRGUYRKSA-N 0 1 375.332 3.048 20 0 GGADMN CN(Cc1ccccc1Br)C(=O)CCNCc1cnc(C2CC2)o1 ZINC000628214634 566541109 /nfs/dbraw/zinc/54/11/09/566541109.db2.gz HGDCAAMPUXRQSV-UHFFFAOYSA-N 0 1 392.297 3.453 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1ncn[nH]1 ZINC000512524353 566541609 /nfs/dbraw/zinc/54/16/09/566541609.db2.gz SBCGDBASGCPMKJ-QMMMGPOBSA-N 0 1 392.282 3.490 20 0 GGADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)c1nc[nH]n1 ZINC000512524353 566541611 /nfs/dbraw/zinc/54/16/11/566541611.db2.gz SBCGDBASGCPMKJ-QMMMGPOBSA-N 0 1 392.282 3.490 20 0 GGADMN C[C@@H](CN[C@H](c1nnc[nH]1)c1cccnc1)Oc1cccc(Br)c1 ZINC000578660882 566541903 /nfs/dbraw/zinc/54/19/03/566541903.db2.gz ZRBMTJMDWQBLNM-LRDDRELGSA-N 0 1 388.269 3.109 20 0 GGADMN C[C@H](CN[C@H](c1nnc[nH]1)c1cccnc1)Oc1cccc(Br)c1 ZINC000578660884 566541918 /nfs/dbraw/zinc/54/19/18/566541918.db2.gz ZRBMTJMDWQBLNM-WBMJQRKESA-N 0 1 388.269 3.109 20 0 GGADMN C[C@](N)(C(=O)NCCCOc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000578646279 566542557 /nfs/dbraw/zinc/54/25/57/566542557.db2.gz XOUSVWYUFNSJTN-GOSISDBHSA-N 0 1 395.272 3.347 20 0 GGADMN C[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(F)c(Br)c1 ZINC000559320532 566543044 /nfs/dbraw/zinc/54/30/44/566543044.db2.gz NKRVFQWNDXAAKG-NSHDSACASA-N 0 1 376.229 3.447 20 0 GGADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000449258667 566543199 /nfs/dbraw/zinc/54/31/99/566543199.db2.gz NXMFRZLBFSLVLP-HEHGZKQESA-N 0 1 381.314 3.337 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000651620804 566543406 /nfs/dbraw/zinc/54/34/06/566543406.db2.gz UAZSFTREDOGSSF-MRVPVSSYSA-N 0 1 393.332 3.100 20 0 GGADMN CCc1ccc([C@@H](CO)NC(=O)c2n[nH]c3ccc(Br)cc32)cc1 ZINC000538889403 566544922 /nfs/dbraw/zinc/54/49/22/566544922.db2.gz QLLFRIAFRUXYQK-MRXNPFEDSA-N 0 1 388.265 3.351 20 0 GGADMN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(C(F)F)CCCC2)cc1Cl ZINC000673586659 566545131 /nfs/dbraw/zinc/54/51/31/566545131.db2.gz UAHFGIIBXAAKGF-UHFFFAOYSA-N 0 1 384.807 3.294 20 0 GGADMN CCN1C[C@H](C)N(c2ncc(Cn3cc(Br)cn3)s2)C[C@@H]1C ZINC000485979246 566545258 /nfs/dbraw/zinc/54/52/58/566545258.db2.gz JWCVYLDNYDVBEK-RYUDHWBXSA-N 0 1 384.347 3.069 20 0 GGADMN CCN1C[C@@H](C)N(c2ncc(Cn3cc(Br)cn3)s2)C[C@@H]1C ZINC000485979245 566545322 /nfs/dbraw/zinc/54/53/22/566545322.db2.gz JWCVYLDNYDVBEK-NWDGAFQWSA-N 0 1 384.347 3.069 20 0 GGADMN Cc1oc(Br)cc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000424602498 566545582 /nfs/dbraw/zinc/54/55/82/566545582.db2.gz QXOFEZSIICWCKH-UHFFFAOYSA-N 0 1 392.297 3.350 20 0 GGADMN C[C@@H](NC(=O)CN(C)[C@H]1CCSC1)c1ccc(OCC(F)(F)F)cc1 ZINC000485969063 566545770 /nfs/dbraw/zinc/54/57/70/566545770.db2.gz ULJBDTANBSRNDM-OCCSQVGLSA-N 0 1 376.444 3.242 20 0 GGADMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2nc3c(s2)CCCC3)C1 ZINC000673610110 566546293 /nfs/dbraw/zinc/54/62/93/566546293.db2.gz NLXZYWQGOKFLSJ-GFCCVEGCSA-N 0 1 375.460 3.445 20 0 GGADMN CCn1nnc(C)c1CN1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000449291436 566546717 /nfs/dbraw/zinc/54/67/17/566546717.db2.gz LKVGHMXQJQVNAF-MRXNPFEDSA-N 0 1 378.318 3.445 20 0 GGADMN CCn1nnc(C)c1CN1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000449291435 566547042 /nfs/dbraw/zinc/54/70/42/566547042.db2.gz LKVGHMXQJQVNAF-INIZCTEOSA-N 0 1 378.318 3.445 20 0 GGADMN C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000673627591 566548078 /nfs/dbraw/zinc/54/80/78/566548078.db2.gz PKVSLXJVTXDBOE-BFQNTYOBSA-N 0 1 377.286 3.027 20 0 GGADMN Cc1cc(NC(=O)CN2CCC[C@](CO)(C(C)C)C2)ccc1Br ZINC000559424806 566548322 /nfs/dbraw/zinc/54/83/22/566548322.db2.gz KJWJNFRODANMKS-SFHVURJKSA-N 0 1 383.330 3.427 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[nH]1 ZINC000673638615 566548352 /nfs/dbraw/zinc/54/83/52/566548352.db2.gz WGSPNDLMRVQJQY-BRPSZJMVSA-N 0 1 390.353 3.231 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)n1 ZINC000673638615 566548360 /nfs/dbraw/zinc/54/83/60/566548360.db2.gz WGSPNDLMRVQJQY-BRPSZJMVSA-N 0 1 390.353 3.231 20 0 GGADMN CS(=O)(=O)C1(CNCc2cnc(CCc3ccccc3)s2)CCCC1 ZINC000449323458 566548257 /nfs/dbraw/zinc/54/82/57/566548257.db2.gz VKJNEWJSEJPBMV-UHFFFAOYSA-N 0 1 378.563 3.375 20 0 GGADMN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000603978946 566548389 /nfs/dbraw/zinc/54/83/89/566548389.db2.gz VMKIHSNXDZOCCB-UHFFFAOYSA-N 0 1 377.315 3.432 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Br)CCN1C ZINC000486004813 566548605 /nfs/dbraw/zinc/54/86/05/566548605.db2.gz UHUUJWGAGGMWRJ-ZWNOBZJWSA-N 0 1 395.750 3.005 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)NCc1cc(Cl)sc1Cl ZINC000538918479 566548556 /nfs/dbraw/zinc/54/85/56/566548556.db2.gz CTWWSQUKGPGWNU-UHFFFAOYSA-N 0 1 397.287 3.368 20 0 GGADMN CC(C)[C@@]1(CO)CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000559425801 566548850 /nfs/dbraw/zinc/54/88/50/566548850.db2.gz UHGSUXIFOBPMLX-MJGOQNOKSA-N 0 1 395.341 3.285 20 0 GGADMN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccnc2c(Br)cccc12 ZINC000449317723 566549102 /nfs/dbraw/zinc/54/91/02/566549102.db2.gz BMXLEBKDFUHHGS-GOEBONIOSA-N 0 1 390.325 3.292 20 0 GGADMN CC[C@H](NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)c1ccc(Cl)s1 ZINC000512664565 566549449 /nfs/dbraw/zinc/54/94/49/566549449.db2.gz AEQCSBIXDZOVRS-LSDHHAIUSA-N 0 1 386.993 3.424 20 0 GGADMN CC(C)[C@]1(CO)CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000559425802 566549433 /nfs/dbraw/zinc/54/94/33/566549433.db2.gz UHGSUXIFOBPMLX-PKOBYXMFSA-N 0 1 395.341 3.285 20 0 GGADMN Cc1nc(S(=O)(=O)NC(C)(C)c2ccccc2)sc1Br ZINC000538940093 566549793 /nfs/dbraw/zinc/54/97/93/566549793.db2.gz HJZWKFJJNAXYRR-UHFFFAOYSA-N 0 1 375.313 3.428 20 0 GGADMN Cc1nc(S(=O)(=O)NC2(c3ccccc3F)CC2)sc1Br ZINC000538978245 566551357 /nfs/dbraw/zinc/55/13/57/566551357.db2.gz QTYZPQXCOQXKDX-UHFFFAOYSA-N 0 1 391.287 3.321 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CCC[C@H](F)C1 ZINC000424643718 566551869 /nfs/dbraw/zinc/55/18/69/566551869.db2.gz MLLKDDZOTDVRLN-AAEUAGOBSA-N 0 1 381.249 3.379 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCC[C@H](F)C1 ZINC000424643718 566551879 /nfs/dbraw/zinc/55/18/79/566551879.db2.gz MLLKDDZOTDVRLN-AAEUAGOBSA-N 0 1 381.249 3.379 20 0 GGADMN O=C(c1ccc2cncn2c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000559492788 566552240 /nfs/dbraw/zinc/55/22/40/566552240.db2.gz JCDMGNRRBQCJGX-QGZVFWFLSA-N 0 1 386.249 3.311 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000651701755 566553153 /nfs/dbraw/zinc/55/31/53/566553153.db2.gz ADFXVFILYWKMJX-RYUDHWBXSA-N 0 1 393.372 3.066 20 0 GGADMN CCCc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n(C)n1 ZINC000538979487 566553128 /nfs/dbraw/zinc/55/31/28/566553128.db2.gz WZHUGXYMHZZRFS-UHFFFAOYSA-N 0 1 377.388 3.115 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCOc1cccc(Br)c1 ZINC000673735560 566553305 /nfs/dbraw/zinc/55/33/05/566553305.db2.gz FWFRRHHQZIIQRQ-UHFFFAOYSA-N 0 1 392.175 3.308 20 0 GGADMN CN(C)[C@H](CNC(=O)CCn1cc(Br)cn1)c1ccc(Cl)cc1 ZINC000673748231 566553419 /nfs/dbraw/zinc/55/34/19/566553419.db2.gz ACCIMVRIZOVSHF-OAHLLOKOSA-N 0 1 399.720 3.108 20 0 GGADMN COc1ccc(COCCNC(=O)c2cccc(Br)c2O)cc1 ZINC000539018262 566553417 /nfs/dbraw/zinc/55/34/17/566553417.db2.gz WXFCZZOJPNNVMH-UHFFFAOYSA-N 0 1 380.238 3.110 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000651701756 566553504 /nfs/dbraw/zinc/55/35/04/566553504.db2.gz ADFXVFILYWKMJX-VXGBXAGGSA-N 0 1 393.372 3.066 20 0 GGADMN Cc1cc(Br)sc1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000651702756 566553710 /nfs/dbraw/zinc/55/37/10/566553710.db2.gz CLFLJXODJUOMMR-FOSCPWQOSA-N 0 1 393.372 3.065 20 0 GGADMN COc1cc(Br)c(CNC[C@@H](O)Cc2cccc(F)c2)c(OC)c1 ZINC000449364472 566553996 /nfs/dbraw/zinc/55/39/96/566553996.db2.gz QUBZEQNEDWFKOS-AWEZNQCLSA-N 0 1 398.272 3.299 20 0 GGADMN COc1cccc(CNCCn2cc(Br)ccc2=O)c1OC(C)C ZINC000449374546 566554083 /nfs/dbraw/zinc/55/40/83/566554083.db2.gz FNJGSDLJWAWPSA-UHFFFAOYSA-N 0 1 395.297 3.196 20 0 GGADMN CCOCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)c1 ZINC000512730106 566554495 /nfs/dbraw/zinc/55/44/95/566554495.db2.gz ONGXIIUPTZUJQV-UHFFFAOYSA-N 0 1 383.853 3.464 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000539027086 566554451 /nfs/dbraw/zinc/55/44/51/566554451.db2.gz SIUUSKIOQRXWOX-SECBINFHSA-N 0 1 379.251 3.351 20 0 GGADMN Cc1sc(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)cc1Br ZINC000424671126 566555051 /nfs/dbraw/zinc/55/50/51/566555051.db2.gz VNXWFYBDKUMKPU-UHFFFAOYSA-N 0 1 395.282 3.114 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCN(CC2CC2)CC1 ZINC000486081567 566555037 /nfs/dbraw/zinc/55/50/37/566555037.db2.gz 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/nfs/dbraw/zinc/55/67/06/566556706.db2.gz AIMADTHWTOHBEP-INIZCTEOSA-N 0 1 382.551 3.427 20 0 GGADMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1C[C@@H](O)COCc1cccs1 ZINC000578830315 566556821 /nfs/dbraw/zinc/55/68/21/566556821.db2.gz LZCNVVNTOMOMJL-CRAIPNDOSA-N 0 1 380.941 3.490 20 0 GGADMN Cc1cnc(CN2CC[C@H](Cc3cccc(I)c3)C2)n1C ZINC000449396090 566556923 /nfs/dbraw/zinc/55/69/23/566556923.db2.gz RIFYDECJQXGZGK-OAHLLOKOSA-N 0 1 395.288 3.398 20 0 GGADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc2c1oc(=O)n2C ZINC000512781021 566557035 /nfs/dbraw/zinc/55/70/35/566557035.db2.gz KSNLGMWREAFHLW-UHFFFAOYSA-N 0 1 397.250 3.003 20 0 GGADMN Cc1cnc(CN2CC[C@@H](Cc3cccc(I)c3)C2)n1C ZINC000449396084 566557027 /nfs/dbraw/zinc/55/70/27/566557027.db2.gz RIFYDECJQXGZGK-HNNXBMFYSA-N 0 1 395.288 3.398 20 0 GGADMN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(F)cc1Br ZINC000486091168 566557401 /nfs/dbraw/zinc/55/74/01/566557401.db2.gz RCWPRHPJCQLAPA-HFBAOOFYSA-N 0 1 376.266 3.059 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c(OC)c(OC)c2)C[C@@H]1C ZINC000559567277 566557970 /nfs/dbraw/zinc/55/79/70/566557970.db2.gz PNKAXROKQNSFEJ-NWDGAFQWSA-N 0 1 385.302 3.021 20 0 GGADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2Br)C1 ZINC000449411959 566558549 /nfs/dbraw/zinc/55/85/49/566558549.db2.gz KYEBFXXGJBNMTL-GXTWGEPZSA-N 0 1 377.257 3.369 20 0 GGADMN CCCc1nc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)s1 ZINC000486104369 566559036 /nfs/dbraw/zinc/55/90/36/566559036.db2.gz BSYVFIHPFFXAHZ-UHFFFAOYSA-N 0 1 381.479 3.133 20 0 GGADMN O=C(CCc1cnc[nH]1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000628478571 566559446 /nfs/dbraw/zinc/55/94/46/566559446.db2.gz ICENJGOINFRRCW-OAHLLOKOSA-N 0 1 380.311 3.498 20 0 GGADMN COC(=O)C[C@H]1CCCCN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000604304731 566559776 /nfs/dbraw/zinc/55/97/76/566559776.db2.gz DIPJUTPZXTVKNH-MRXNPFEDSA-N 0 1 387.307 3.369 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](COC(F)F)C1 ZINC000512834288 566560411 /nfs/dbraw/zinc/56/04/11/566560411.db2.gz RMHILRFYRRZEDO-RYUDHWBXSA-N 0 1 378.822 3.387 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)N2CCC(C)CC2)c2cccs2)CC1 ZINC000486124237 566560694 /nfs/dbraw/zinc/56/06/94/566560694.db2.gz ISDKTEMCNQDLBX-KRWDZBQOSA-N 0 1 385.599 3.087 20 0 GGADMN CCOC1CC2(C1)CCN([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000512831248 566561113 /nfs/dbraw/zinc/56/11/13/566561113.db2.gz BLNXSSFQSAUUAS-HFCFLWKCSA-N 0 1 393.325 3.445 20 0 GGADMN Cc1oc(Br)cc1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000424711518 566562290 /nfs/dbraw/zinc/56/22/90/566562290.db2.gz QKBMJASAFMGXQY-UHFFFAOYSA-N 0 1 399.329 3.363 20 0 GGADMN O[C@H]1CCC[C@H]1N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000604384556 566562257 /nfs/dbraw/zinc/56/22/57/566562257.db2.gz WSNKPXMNXIQNKU-MSOLQXFVSA-N 0 1 377.941 3.495 20 0 GGADMN O[C@@H]1CCC[C@H]1N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000604384557 566562939 /nfs/dbraw/zinc/56/29/39/566562939.db2.gz WSNKPXMNXIQNKU-QZTJIDSGSA-N 0 1 377.941 3.495 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000673883688 566563560 /nfs/dbraw/zinc/56/35/60/566563560.db2.gz RPLGCWMXDKAXRR-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CN(Cc1cc(Br)c2c(c1)OCCO2)[C@H](CO)c1ccccc1 ZINC000449451892 566563613 /nfs/dbraw/zinc/56/36/13/566563613.db2.gz JPSXKEAQQHXCJS-MRXNPFEDSA-N 0 1 378.266 3.386 20 0 GGADMN CN(Cc1cc(Br)c2c(c1)OCCO2)[C@@H](CO)c1ccccc1 ZINC000449451883 566563624 /nfs/dbraw/zinc/56/36/24/566563624.db2.gz JPSXKEAQQHXCJS-INIZCTEOSA-N 0 1 378.266 3.386 20 0 GGADMN Cc1[nH]nc2ncc(CN[C@](C)(CO)c3ccc(Br)cc3)cc12 ZINC000512866167 566564285 /nfs/dbraw/zinc/56/42/85/566564285.db2.gz XPXZBQBUJIDBFQ-QGZVFWFLSA-N 0 1 375.270 3.026 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000466302631 566564375 /nfs/dbraw/zinc/56/43/75/566564375.db2.gz IRWKMUDZUKNZRC-WMLDXEAASA-N 0 1 398.345 3.198 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000466302630 566564792 /nfs/dbraw/zinc/56/47/92/566564792.db2.gz IRWKMUDZUKNZRC-RHSMWYFYSA-N 0 1 398.345 3.198 20 0 GGADMN C[C@H](CNC(=O)N1CCN(C2CCC2)CC1)Oc1cccc(Br)c1 ZINC000466303875 566564965 /nfs/dbraw/zinc/56/49/65/566564965.db2.gz ZLWJDFMOKVKDCN-CQSZACIVSA-N 0 1 396.329 3.096 20 0 GGADMN O=S(=O)(NCCNCc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000512861355 566565055 /nfs/dbraw/zinc/56/50/55/566565055.db2.gz NZMQBDKGJXNDQF-UHFFFAOYSA-N 0 1 377.268 3.201 20 0 GGADMN O[C@@H]1CCC[C@@H]1[C@H]1CCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000449470749 566565382 /nfs/dbraw/zinc/56/53/82/566565382.db2.gz OBVVOQQOONVBBG-QGPMSJSTSA-N 0 1 391.313 3.155 20 0 GGADMN CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)n1 ZINC000673897404 566565840 /nfs/dbraw/zinc/56/58/40/566565840.db2.gz CULYUXUEHHJDLT-UHFFFAOYSA-N 0 1 387.255 3.052 20 0 GGADMN O[C@@H]1CCC[C@H]1[C@H]1CCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000449470752 566565947 /nfs/dbraw/zinc/56/59/47/566565947.db2.gz OBVVOQQOONVBBG-YXJHDRRASA-N 0 1 391.313 3.155 20 0 GGADMN O=C(N[C@H]1COc2ccc(F)cc21)c1n[nH]c2ccc(Br)cc21 ZINC000466310152 566566348 /nfs/dbraw/zinc/56/63/48/566566348.db2.gz YXNDHUJXAZSAIA-ZDUSSCGKSA-N 0 1 376.185 3.328 20 0 GGADMN Cc1nnc(SCC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)[nH]1 ZINC000628574323 566566835 /nfs/dbraw/zinc/56/68/35/566566835.db2.gz LOVPJSQNDJWTAJ-ZCFIWIBFSA-N 0 1 391.241 3.123 20 0 GGADMN Cc1n[nH]c(SCC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)n1 ZINC000628574323 566566838 /nfs/dbraw/zinc/56/68/38/566566838.db2.gz LOVPJSQNDJWTAJ-ZCFIWIBFSA-N 0 1 391.241 3.123 20 0 GGADMN C[C@H](NC(=O)CCCCc1cn[nH]n1)c1cc(F)c(Br)cc1F ZINC000628573835 566567131 /nfs/dbraw/zinc/56/71/31/566567131.db2.gz ZVMIRNRAACEAMI-VIFPVBQESA-N 0 1 387.228 3.436 20 0 GGADMN O=C1c2ccccc2C(=O)N1CCCNCc1c(F)cccc1Br ZINC000512912705 566567237 /nfs/dbraw/zinc/56/72/37/566567237.db2.gz HAMIKGDXSDZBKA-UHFFFAOYSA-N 0 1 391.240 3.364 20 0 GGADMN O=C(N1CCCC1)N1CCC[C@@H](NCc2cc(F)ccc2Br)C1 ZINC000512903912 566567874 /nfs/dbraw/zinc/56/78/74/566567874.db2.gz JJKDNFSKHOZYNS-OAHLLOKOSA-N 0 1 384.293 3.358 20 0 GGADMN C[C@](CO)(NCc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000512908799 566568013 /nfs/dbraw/zinc/56/80/13/566568013.db2.gz LQTIJQIVEDMYEN-CQSZACIVSA-N 0 1 392.219 3.205 20 0 GGADMN C[C@@](CO)(NCc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000512908798 566568224 /nfs/dbraw/zinc/56/82/24/566568224.db2.gz LQTIJQIVEDMYEN-AWEZNQCLSA-N 0 1 392.219 3.205 20 0 GGADMN COCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1 ZINC000539238964 566568689 /nfs/dbraw/zinc/56/86/89/566568689.db2.gz KLHNVFXXRDKFTE-UHFFFAOYSA-N 0 1 377.853 3.473 20 0 GGADMN OC[C@H](CN[C@@H](c1cccs1)c1nnc[nH]1)Cc1c(F)cccc1Cl ZINC000559766849 566568719 /nfs/dbraw/zinc/56/87/19/566568719.db2.gz NBMJXXHWZCTHBH-ZBEGNZNMSA-N 0 1 380.876 3.189 20 0 GGADMN CCOC(=O)CCN(Cc1cc2c(cc1Br)OCO2)CC1CC1 ZINC000604514052 566569187 /nfs/dbraw/zinc/56/91/87/566569187.db2.gz OFUGSIZMBOXCBV-UHFFFAOYSA-N 0 1 384.270 3.343 20 0 GGADMN CCc1nc(NS(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)sc1C ZINC000466358967 566569303 /nfs/dbraw/zinc/56/93/03/566569303.db2.gz GYXLYCGHSCHZSA-UHFFFAOYSA-N 0 1 380.470 3.448 20 0 GGADMN COCCN(C)CCN[C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000559751823 566569365 /nfs/dbraw/zinc/56/93/65/566569365.db2.gz 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Cc1ccc(C[C@H](CO)CNCc2ccn(C(F)F)n2)cc1Br ZINC000449597362 566578964 /nfs/dbraw/zinc/57/89/64/566578964.db2.gz DYFHENDGKGBLNS-ZDUSSCGKSA-N 0 1 388.256 3.290 20 0 GGADMN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H](C)C1 ZINC000579102286 566579324 /nfs/dbraw/zinc/57/93/24/566579324.db2.gz YZKSJUZBVPYFGK-RWMBFGLXSA-N 0 1 378.567 3.226 20 0 GGADMN Cc1cc(Br)cc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000486340064 566579786 /nfs/dbraw/zinc/57/97/86/566579786.db2.gz HNDXYGUOTDJXPO-ZIAGYGMSSA-N 0 1 384.318 3.378 20 0 GGADMN O=C(NCCCc1ccc(Br)cc1F)N1CCN(CC2CC2)CC1 ZINC000604823712 566580196 /nfs/dbraw/zinc/58/01/96/566580196.db2.gz MEBHGDLMASYQDV-UHFFFAOYSA-N 0 1 398.320 3.258 20 0 GGADMN Cc1ccc(C[C@@H](CO)CNCc2cn(C(C)(C)C)nn2)cc1Br ZINC000449599187 566580769 /nfs/dbraw/zinc/58/07/69/566580769.db2.gz KGAPDBNNCISYMC-OAHLLOKOSA-N 0 1 395.345 3.045 20 0 GGADMN Cc1cc(I)cc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1C ZINC000513114272 566580964 /nfs/dbraw/zinc/58/09/64/566580964.db2.gz ZLJYXWNVUIMWGI-TXEJJXNPSA-N 0 1 386.277 3.073 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000579119067 566581127 /nfs/dbraw/zinc/58/11/27/566581127.db2.gz HUDMNCCHKLKJON-ZDUSSCGKSA-N 0 1 397.294 3.496 20 0 GGADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000579119067 566581131 /nfs/dbraw/zinc/58/11/31/566581131.db2.gz HUDMNCCHKLKJON-ZDUSSCGKSA-N 0 1 397.294 3.496 20 0 GGADMN C[C@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CCCOC1 ZINC000559987754 566581549 /nfs/dbraw/zinc/58/15/49/566581549.db2.gz PQAJTZSGBHWNRL-INIZCTEOSA-N 0 1 390.241 3.352 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(CC4CCOCC4)n3)n2)c1 ZINC000559986655 566582009 /nfs/dbraw/zinc/58/20/09/566582009.db2.gz GULUKINKJZLSMJ-UHFFFAOYSA-N 0 1 390.241 3.253 20 0 GGADMN OC[C@H](CNCc1ccn(C(F)F)n1)Cc1cc(Br)ccc1F ZINC000449604253 566583090 /nfs/dbraw/zinc/58/30/90/566583090.db2.gz WWXAJAJJRPNIHT-JTQLQIEISA-N 0 1 392.219 3.121 20 0 GGADMN COc1ccc([C@@H](C)[C@H](C)NCc2nn(C)cc2I)cc1 ZINC000449604576 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YLMYINXGCGOSLK-FUHWJXTLSA-N 0 1 397.357 3.245 20 0 GGADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000674346182 566588347 /nfs/dbraw/zinc/58/83/47/566588347.db2.gz JARVQJFWVAJAJF-LBPRGKRZSA-N 0 1 395.750 3.255 20 0 GGADMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000539564667 566588819 /nfs/dbraw/zinc/58/88/19/566588819.db2.gz YCDQNZQAISDJAH-KOLCDFICSA-N 0 1 377.242 3.178 20 0 GGADMN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000539564665 566589134 /nfs/dbraw/zinc/58/91/34/566589134.db2.gz YCDQNZQAISDJAH-GXSJLCMTSA-N 0 1 377.242 3.178 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc2c(cc1Br)OCO2 ZINC000513216025 566589455 /nfs/dbraw/zinc/58/94/55/566589455.db2.gz UZBXCBXIHKEVQJ-CYBMUJFWSA-N 0 1 383.286 3.059 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1nc2cc(Br)ccc2o1 ZINC000513209343 566589491 /nfs/dbraw/zinc/58/94/91/566589491.db2.gz IJCDHOONIWWPCW-ZDUSSCGKSA-N 0 1 380.286 3.471 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1F ZINC000560039570 566589910 /nfs/dbraw/zinc/58/99/10/566589910.db2.gz ZPUZJFSXCVIRAR-UHFFFAOYSA-N 0 1 376.906 3.293 20 0 GGADMN O=C(CNCc1cccc(I)c1)Nc1ccc(F)cc1 ZINC000560047601 566590108 /nfs/dbraw/zinc/59/01/08/566590108.db2.gz BASMAQWTNJXXDC-UHFFFAOYSA-N 0 1 384.192 3.159 20 0 GGADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000560042017 566590260 /nfs/dbraw/zinc/59/02/60/566590260.db2.gz XMVUZWDZCSQVDE-UHFFFAOYSA-N 0 1 386.876 3.357 20 0 GGADMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000513221768 566590401 /nfs/dbraw/zinc/59/04/01/566590401.db2.gz DGSKRVLPZVRRIG-ZDUSSCGKSA-N 0 1 383.286 3.059 20 0 GGADMN C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C[C@H](C)N1C ZINC000513239348 566590670 /nfs/dbraw/zinc/59/06/70/566590670.db2.gz XIMPIKDZSGGCOT-BXSJSEAGSA-N 0 1 377.326 3.204 20 0 GGADMN CNC(=O)CC[C@H]1CCCCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000513221767 566591196 /nfs/dbraw/zinc/59/11/96/566591196.db2.gz DGSKRVLPZVRRIG-CYBMUJFWSA-N 0 1 383.286 3.059 20 0 GGADMN CN(C)[C@H](CNC(=O)N[C@H](CO)c1cccc(Cl)c1F)c1cccs1 ZINC000539604535 566591328 /nfs/dbraw/zinc/59/13/28/566591328.db2.gz UKLGTUKPOHMZID-ZIAGYGMSSA-N 0 1 385.892 3.176 20 0 GGADMN CC[C@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)c1c(C)noc1C ZINC000579228050 566591591 /nfs/dbraw/zinc/59/15/91/566591591.db2.gz UNKWKYOMAKJKMT-YOEHRIQHSA-N 0 1 380.286 3.495 20 0 GGADMN CC(C)[C@H]1CN(C(=O)NCc2cc(Cl)ccc2OC(F)F)CCN1C ZINC000486474507 566591878 /nfs/dbraw/zinc/59/18/78/566591878.db2.gz WQZTZDHUMRHGKC-CQSZACIVSA-N 0 1 375.847 3.423 20 0 GGADMN O=C([O-])[C@@H]1C[N@@H+](CCc2cncs2)C[C@H]1c1ccc(Br)cc1 ZINC000579243358 566592708 /nfs/dbraw/zinc/59/27/08/566592708.db2.gz HWGDJJSPLZIQAL-LSDHHAIUSA-N 0 1 381.295 3.248 20 0 GGADMN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NCCCc1nc[nH]n1 ZINC000579251491 566593342 /nfs/dbraw/zinc/59/33/42/566593342.db2.gz WEPIOJAFJHUDQX-UHFFFAOYSA-N 0 1 380.235 3.438 20 0 GGADMN O[C@H](COCc1cccs1)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463089 566594643 /nfs/dbraw/zinc/59/46/43/566594643.db2.gz MGGFEQZVODTRSZ-MVWJERBFSA-N 0 1 377.350 3.298 20 0 GGADMN C[C@H](Oc1cccnc1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000605080751 566595477 /nfs/dbraw/zinc/59/54/77/566595477.db2.gz LSWNAYUVWPQFPM-JTQLQIEISA-N 0 1 388.225 3.035 20 0 GGADMN COCC(C)(C)N1CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000424992903 566595628 /nfs/dbraw/zinc/59/56/28/566595628.db2.gz UDDLTPAUDBGZCI-CQSZACIVSA-N 0 1 383.330 3.122 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)ccc1Br ZINC000513319188 566595936 /nfs/dbraw/zinc/59/59/36/566595936.db2.gz MUPXMRNGCQGQJM-UHFFFAOYSA-N 0 1 393.266 3.343 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3nc4ccc(Br)cc4o3)C2)cn1 ZINC000579301587 566596364 /nfs/dbraw/zinc/59/63/64/566596364.db2.gz OYYHYVXNRHDVDH-GFCCVEGCSA-N 0 1 375.270 3.388 20 0 GGADMN Cn1cc(C[C@@H]2CCN(Cc3nc4ccc(Br)cc4o3)C2)cn1 ZINC000579301588 566596814 /nfs/dbraw/zinc/59/68/14/566596814.db2.gz OYYHYVXNRHDVDH-LBPRGKRZSA-N 0 1 375.270 3.388 20 0 GGADMN COc1cccnc1CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000449750515 566597075 /nfs/dbraw/zinc/59/70/75/566597075.db2.gz VBBOLKGLDYOTDD-LBPRGKRZSA-N 0 1 378.270 3.360 20 0 GGADMN CN(CC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1)[C@H]1CCSC1 ZINC000425024324 566598467 /nfs/dbraw/zinc/59/84/67/566598467.db2.gz UCDVEDOMDHDCTM-HNNXBMFYSA-N 0 1 379.595 3.165 20 0 GGADMN COCCNc1ccc(CNC(=O)c2cccc(Br)c2O)cc1 ZINC000605181261 566598664 /nfs/dbraw/zinc/59/86/64/566598664.db2.gz XKBUTQLKNVDLIA-UHFFFAOYSA-N 0 1 379.254 3.143 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)cc1Cl ZINC000486561550 566599285 /nfs/dbraw/zinc/59/92/85/566599285.db2.gz LADMXELYGVUGMZ-UHFFFAOYSA-N 0 1 381.885 3.454 20 0 GGADMN COC(=O)[C@H]1CN(Cc2cncc(Br)c2)C[C@@H]1c1ccccc1 ZINC000449752296 566599465 /nfs/dbraw/zinc/59/94/65/566599465.db2.gz BXNDTUPAJOBFTO-SJORKVTESA-N 0 1 375.266 3.233 20 0 GGADMN CCOc1cc(CN[C@@H](CC)C(=O)NC)cc(Br)c1OC(F)F ZINC000449769179 566599575 /nfs/dbraw/zinc/59/95/75/566599575.db2.gz CVELUZMGTXRZQN-NSHDSACASA-N 0 1 395.244 3.063 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000605235622 566599693 /nfs/dbraw/zinc/59/96/93/566599693.db2.gz MQQDUSHNJAHAJR-APHBMKBZSA-N 0 1 386.323 3.295 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](N[C@@H](CO)CCF)c2ccc(Cl)cc2)c1 ZINC000652302644 566599750 /nfs/dbraw/zinc/59/97/50/566599750.db2.gz CVOOIBOQPZIRSW-SJLPKXTDSA-N 0 1 385.888 3.143 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](N[C@H](CO)CCF)c2ccc(Cl)cc2)c1 ZINC000652302643 566600020 /nfs/dbraw/zinc/60/00/20/566600020.db2.gz CVOOIBOQPZIRSW-FUHWJXTLSA-N 0 1 385.888 3.143 20 0 GGADMN C[C@H](COCC1CC1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000652287204 566600199 /nfs/dbraw/zinc/60/01/99/566600199.db2.gz QRHIWHIXCYFUET-IAQYHMDHSA-N 0 1 388.327 3.072 20 0 GGADMN CC[C@@H](NCc1cc(Br)ccc1OCc1ccccn1)C(=O)NC ZINC000449780839 566600346 /nfs/dbraw/zinc/60/03/46/566600346.db2.gz VZUWBEQKNCRWOW-MRXNPFEDSA-N 0 1 392.297 3.037 20 0 GGADMN C[C@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000605217133 566600672 /nfs/dbraw/zinc/60/06/72/566600672.db2.gz BXXBQWOMEGIXPZ-ZDUSSCGKSA-N 0 1 387.355 3.380 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ncccc1Br ZINC000486579421 566601156 /nfs/dbraw/zinc/60/11/56/566601156.db2.gz YCLQVVYOJOUZFR-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1c(F)c(F)cc(F)c1F)c1ccsc1 ZINC000674613590 566601283 /nfs/dbraw/zinc/60/12/83/566601283.db2.gz UVUJIZCGXSTJFG-ZDUSSCGKSA-N 0 1 375.391 3.407 20 0 GGADMN CCCOc1c(Br)cc(CN[C@H](CC)C(=O)NC)cc1OCC ZINC000449776811 566601299 /nfs/dbraw/zinc/60/12/99/566601299.db2.gz PNAOWJBEKBVOGH-CQSZACIVSA-N 0 1 387.318 3.251 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1c(F)c(F)cc(F)c1F)c1ccsc1 ZINC000674613589 566601525 /nfs/dbraw/zinc/60/15/25/566601525.db2.gz UVUJIZCGXSTJFG-CYBMUJFWSA-N 0 1 375.391 3.407 20 0 GGADMN O=C(CCCSc1ccc(Br)cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425062659 566601626 /nfs/dbraw/zinc/60/16/26/566601626.db2.gz DOTXAPDRTTZJCZ-LBPRGKRZSA-N 0 1 395.326 3.456 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CCCC(F)(F)F ZINC000539787283 566601584 /nfs/dbraw/zinc/60/15/84/566601584.db2.gz WOKSFVFGKYUSBB-UHFFFAOYSA-N 0 1 388.402 3.001 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](N[C@H](CO)CCF)c2ccc(Cl)cc2)c1 ZINC000652302645 566601825 /nfs/dbraw/zinc/60/18/25/566601825.db2.gz CVOOIBOQPZIRSW-WMZOPIPTSA-N 0 1 385.888 3.143 20 0 GGADMN O=C(CCCCc1ccc(Br)cc1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425065500 566601749 /nfs/dbraw/zinc/60/17/49/566601749.db2.gz LFLYWLRSSGNECO-CQSZACIVSA-N 0 1 377.286 3.296 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000605257465 566601907 /nfs/dbraw/zinc/60/19/07/566601907.db2.gz DQAAIVDEAKTIKQ-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN CN(CC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1)[C@@H]1CCSC1 ZINC000466853924 566603328 /nfs/dbraw/zinc/60/33/28/566603328.db2.gz PEGGEUIOEUXKCQ-CYBMUJFWSA-N 0 1 388.364 3.079 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000486612045 566603606 /nfs/dbraw/zinc/60/36/06/566603606.db2.gz OBABENHLLDYSAD-VHSXEESVSA-N 0 1 376.404 3.377 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnccc2SC)cc1Br ZINC000674714827 566604010 /nfs/dbraw/zinc/60/40/10/566604010.db2.gz DFJAGBFYFJIDFX-UHFFFAOYSA-N 0 1 389.296 3.375 20 0 GGADMN COc1ccc(CN[C@H](CO)Cc2cccc(C)c2)c(Br)c1O ZINC000466887090 566604117 /nfs/dbraw/zinc/60/41/17/566604117.db2.gz ISIAAOACRZLMOY-HNNXBMFYSA-N 0 1 380.282 3.165 20 0 GGADMN Cc1[nH]nc2ncc(CN(C)[C@H](CO)c3cccc(Br)c3)cc12 ZINC000539823619 566605275 /nfs/dbraw/zinc/60/52/75/566605275.db2.gz NIYVENFNZVQIGW-MRXNPFEDSA-N 0 1 375.270 3.194 20 0 GGADMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)[C@@H]2C1 ZINC000486633371 566606694 /nfs/dbraw/zinc/60/66/94/566606694.db2.gz SBKAJBXFUGLDCW-GXFFZTMASA-N 0 1 382.835 3.074 20 0 GGADMN COCC[C@@H](NCC(=O)NC(=O)NCC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000560181035 566606766 /nfs/dbraw/zinc/60/67/66/566606766.db2.gz BBWNAFVKDOBKDZ-OAHLLOKOSA-N 0 1 390.311 3.142 20 0 GGADMN Cc1n[nH]c(CCNC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)n1 ZINC000539843245 566606747 /nfs/dbraw/zinc/60/67/47/566606747.db2.gz UHFAIDXKHYINEV-OAHLLOKOSA-N 0 1 393.329 3.439 20 0 GGADMN Cc1cccc(C[C@@H](CO)NCc2cc3c(cc2Br)OCO3)c1 ZINC000466904517 566607499 /nfs/dbraw/zinc/60/74/99/566607499.db2.gz KOWYRWJADCPXSO-HNNXBMFYSA-N 0 1 378.266 3.179 20 0 GGADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(Br)c2[O-])[C@H](C)C1 ZINC000539843515 566607409 /nfs/dbraw/zinc/60/74/09/566607409.db2.gz BCNXUZMVPPNFOM-CJNGLKHVSA-N 0 1 399.329 3.022 20 0 GGADMN O=C(CCCN1CCC[C@H](N2CCCC2=O)C1)c1ccc(Br)cc1 ZINC000560218364 566607701 /nfs/dbraw/zinc/60/77/01/566607701.db2.gz ZIFHJCONWMNAFS-KRWDZBQOSA-N 0 1 393.325 3.499 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cccc(Br)c2)n[nH]1 ZINC000486650816 566607769 /nfs/dbraw/zinc/60/77/69/566607769.db2.gz LYINKEZDMKFQCQ-ZJUUUORDSA-N 0 1 387.303 3.120 20 0 GGADMN CN1CC=C(CNS(=O)(=O)c2ccc3ccccc3c2Br)CC1 ZINC000425164115 566607910 /nfs/dbraw/zinc/60/79/10/566607910.db2.gz AKIJLGMHCPOTIS-UHFFFAOYSA-N 0 1 395.322 3.143 20 0 GGADMN Cc1noc([C@H]2CCC[N@@H+](Cc3c(Br)cccc3C(=O)[O-])C2)n1 ZINC000652399449 566608263 /nfs/dbraw/zinc/60/82/63/566608263.db2.gz KNCWKEQHPSKIHB-NSHDSACASA-N 0 1 380.242 3.218 20 0 GGADMN CC(C)Oc1cc(C(=O)NCc2n[nH]c(C3CC3)n2)ccc1Br ZINC000652390712 566608288 /nfs/dbraw/zinc/60/82/88/566608288.db2.gz AWUFHZOUOANPKI-UHFFFAOYSA-N 0 1 379.258 3.162 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2)n[nH]1 ZINC000486650815 566608387 /nfs/dbraw/zinc/60/83/87/566608387.db2.gz LYINKEZDMKFQCQ-VHSXEESVSA-N 0 1 387.303 3.120 20 0 GGADMN COCCN1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccccc2Br)C1 ZINC000674778936 566608549 /nfs/dbraw/zinc/60/85/49/566608549.db2.gz OADLFUHRZCITDE-PBHICJAKSA-N 0 1 396.329 3.016 20 0 GGADMN CN(C)[C@H](CNC(=O)NC1CCN(c2cccs2)CC1)c1ccsc1 ZINC000674770286 566608859 /nfs/dbraw/zinc/60/88/59/566608859.db2.gz MELLICYHSWORMH-MRXNPFEDSA-N 0 1 378.567 3.381 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)n[nH]1 ZINC000486654955 566609266 /nfs/dbraw/zinc/60/92/66/566609266.db2.gz VLXCTCKXXNRVHM-NXEZZACHSA-N 0 1 387.303 3.120 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000486652376 566609632 /nfs/dbraw/zinc/60/96/32/566609632.db2.gz PPVFVHHUEOLDGU-ZJUUUORDSA-N 0 1 376.404 3.377 20 0 GGADMN Cc1ccc([C@H](CNC(=O)NCCSCC(F)(F)F)N2CCCC2)o1 ZINC000539876288 566610010 /nfs/dbraw/zinc/61/00/10/566610010.db2.gz FWKREXMGYABKHF-ZDUSSCGKSA-N 0 1 379.448 3.320 20 0 GGADMN CC(=O)N1CC[C@](C)(C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000560227622 566610472 /nfs/dbraw/zinc/61/04/72/566610472.db2.gz VEBFXSRYKMUERA-AWEZNQCLSA-N 0 1 375.650 3.005 20 0 GGADMN Cc1cccc2nc(CCC(=O)N[C@H](C)c3ncc(Br)cn3)[nH]c21 ZINC000486668515 566610944 /nfs/dbraw/zinc/61/09/44/566610944.db2.gz AFGGDXPKFQAGDG-LLVKDONJSA-N 0 1 388.269 3.234 20 0 GGADMN Cc1cncc([C@@H](C)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000579455885 566611139 /nfs/dbraw/zinc/61/11/39/566611139.db2.gz LXYPDUYPBQMUPM-GFCCVEGCSA-N 0 1 388.320 3.326 20 0 GGADMN COC(=O)CCC1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000560261071 566611557 /nfs/dbraw/zinc/61/15/57/566611557.db2.gz GNIPLEAJDMQUBJ-UHFFFAOYSA-N 0 1 398.297 3.401 20 0 GGADMN Cn1cc(C[C@H]2CCN(Cc3cccc(I)c3)C2)cn1 ZINC000560261377 566612016 /nfs/dbraw/zinc/61/20/16/566612016.db2.gz NGPVRKVDRXYHMT-CQSZACIVSA-N 0 1 381.261 3.089 20 0 GGADMN CCn1c2ccc(S(=O)(=O)Nc3cccc(Cl)c3OC)cc2oc1=O ZINC000466965553 566612452 /nfs/dbraw/zinc/61/24/52/566612452.db2.gz BULOPJJASPXIHC-UHFFFAOYSA-N 0 1 382.825 3.077 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000652479502 566612577 /nfs/dbraw/zinc/61/25/77/566612577.db2.gz XBOMSTQIAYRVCX-SNVBAGLBSA-N 0 1 398.282 3.247 20 0 GGADMN O=C(Nc1cccc(Br)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000579489782 566612976 /nfs/dbraw/zinc/61/29/76/566612976.db2.gz CYPISESGUHFBKL-MRXNPFEDSA-N 0 1 382.302 3.168 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000466984187 566613501 /nfs/dbraw/zinc/61/35/01/566613501.db2.gz YUWFYZQTWMHFSO-OAHLLOKOSA-N 0 1 397.357 3.200 20 0 GGADMN O=C([O-])CC[N@H+](Cc1cc2n(n1)CCCC2)Cc1cccc(Br)c1 ZINC000652504275 566614234 /nfs/dbraw/zinc/61/42/34/566614234.db2.gz UCJWVEGFRXDPEM-UHFFFAOYSA-N 0 1 392.297 3.459 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cc2n(n1)CCCC2)Cc1cccc(Br)c1 ZINC000652504275 566614241 /nfs/dbraw/zinc/61/42/41/566614241.db2.gz UCJWVEGFRXDPEM-UHFFFAOYSA-N 0 1 392.297 3.459 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCSCC(F)(F)F)n2)cc1 ZINC000539907625 566614128 /nfs/dbraw/zinc/61/41/28/566614128.db2.gz ZXUZGBMJCAZGKY-UHFFFAOYSA-N 0 1 390.456 3.284 20 0 GGADMN C[C@H]1C[N@H+](Cc2nc(-c3cc(Br)cs3)no2)CC[C@H]1C(=O)[O-] ZINC000652496799 566614683 /nfs/dbraw/zinc/61/46/83/566614683.db2.gz DTWWETMQSQIRSO-WCBMZHEXSA-N 0 1 386.271 3.103 20 0 GGADMN C[C@H]1C[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)CC[C@H]1C(=O)[O-] ZINC000652496799 566614687 /nfs/dbraw/zinc/61/46/87/566614687.db2.gz DTWWETMQSQIRSO-WCBMZHEXSA-N 0 1 386.271 3.103 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496444 566614779 /nfs/dbraw/zinc/61/47/79/566614779.db2.gz VWWYLGAGHUGOHJ-JSGCOSHPSA-N 0 1 376.280 3.310 20 0 GGADMN COc1cc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)ccn1 ZINC000652506385 566614870 /nfs/dbraw/zinc/61/48/70/566614870.db2.gz JFWJFSHWPJBPNJ-JKSUJKDBSA-N 0 1 391.265 3.153 20 0 GGADMN O=C([O-])CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000652496443 566614959 /nfs/dbraw/zinc/61/49/59/566614959.db2.gz VWWYLGAGHUGOHJ-GXTWGEPZSA-N 0 1 376.280 3.310 20 0 GGADMN O=C([O-])C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000652482636 566615144 /nfs/dbraw/zinc/61/51/44/566615144.db2.gz MORDZRJBICNLRA-CQSZACIVSA-N 0 1 376.280 3.452 20 0 GGADMN CC(C)N1CCN(C(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000467008093 566615307 /nfs/dbraw/zinc/61/53/07/566615307.db2.gz AEXWVYGQSGRZPF-PKOBYXMFSA-N 0 1 377.326 3.206 20 0 GGADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000425206094 566615619 /nfs/dbraw/zinc/61/56/19/566615619.db2.gz CEXVSBHTRURFAS-IINYFYTJSA-N 0 1 382.835 3.074 20 0 GGADMN CCOC(=O)COc1ccc(CN(C)Cc2cc(Br)cn2C)cc1 ZINC000539927864 566615560 /nfs/dbraw/zinc/61/55/60/566615560.db2.gz ZLTLEYGDQINSDA-UHFFFAOYSA-N 0 1 395.297 3.362 20 0 GGADMN O[C@@H](CNCc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCOC1 ZINC000605595251 566615939 /nfs/dbraw/zinc/61/59/39/566615939.db2.gz HJTMYKFDLMNXEU-DOMZBBRYSA-N 0 1 383.311 3.060 20 0 GGADMN COc1cc2nccc(N3CCC[C@H](CNC(C)=O)C3)c2cc1Br ZINC000425206123 566615984 /nfs/dbraw/zinc/61/59/84/566615984.db2.gz CLFVYWBDSOTRKT-CYBMUJFWSA-N 0 1 392.297 3.358 20 0 GGADMN Cc1noc([C@@H](C)[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000652506817 566616061 /nfs/dbraw/zinc/61/60/61/566616061.db2.gz KUKZXPLEEPJOJO-BIGNPOOSSA-N 0 1 380.242 3.002 20 0 GGADMN COc1cc2nccc(N[C@@H](C)c3nnc4n3CCC4)c2cc1Br ZINC000425203006 566616215 /nfs/dbraw/zinc/61/62/15/566616215.db2.gz DQBDKLJDDNGUQW-JTQLQIEISA-N 0 1 388.269 3.139 20 0 GGADMN COc1cc2nccc(N[C@H](C)C(=O)NC(C)(C)C)c2cc1Br ZINC000425214815 566617160 /nfs/dbraw/zinc/61/71/60/566617160.db2.gz KMNWPLFZLLKUIH-SNVBAGLBSA-N 0 1 380.286 3.143 20 0 GGADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)[C@@H]2C1 ZINC000425216510 566617400 /nfs/dbraw/zinc/61/74/00/566617400.db2.gz QZGNPXKGUZJUCN-GXFFZTMASA-N 0 1 382.835 3.074 20 0 GGADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)[C@@H]2C1 ZINC000425216309 566617709 /nfs/dbraw/zinc/61/77/09/566617709.db2.gz QIKGUDGLGXKUHD-GXFFZTMASA-N 0 1 382.835 3.074 20 0 GGADMN Cc1ccsc1[C@H](CO)NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000539980646 566618451 /nfs/dbraw/zinc/61/84/51/566618451.db2.gz QDDSYLGRHUSENG-KRWDZBQOSA-N 0 1 376.547 3.069 20 0 GGADMN COc1cc2nccc(N3CCC[C@]4(CNC(=O)C4)C3)c2cc1Br ZINC000425224584 566618672 /nfs/dbraw/zinc/61/86/72/566618672.db2.gz DYVFANVUQFCOJB-SFHVURJKSA-N 0 1 390.281 3.112 20 0 GGADMN CN(CC[C@H]1CCCO1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000467038880 566619626 /nfs/dbraw/zinc/61/96/26/566619626.db2.gz RZAGPAGHQOABMB-CQSZACIVSA-N 0 1 378.270 3.480 20 0 GGADMN Cn1c(CCNC(=O)c2cccc(Br)c2O)nc2cc(F)ccc21 ZINC000605875251 566620062 /nfs/dbraw/zinc/62/00/62/566620062.db2.gz BVZDCJXRRNQDAV-UHFFFAOYSA-N 0 1 392.228 3.153 20 0 GGADMN COc1cc2nccc(NCCCOC[C@@H]3CCOC3)c2cc1Br ZINC000425232009 566620170 /nfs/dbraw/zinc/62/01/70/566620170.db2.gz NZOJMIKVIIKDAE-ZDUSSCGKSA-N 0 1 395.297 3.283 20 0 GGADMN CCNC(=O)C(C)(C)CNc1ccnc2cc(OC)c(Br)cc21 ZINC000425233187 566620230 /nfs/dbraw/zinc/62/02/30/566620230.db2.gz GBCHSUZLBQPZME-UHFFFAOYSA-N 0 1 380.286 3.002 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nnnn2C)cc1 ZINC000486756084 566620417 /nfs/dbraw/zinc/62/04/17/566620417.db2.gz BUUYXKWPKHZMBE-UHFFFAOYSA-N 0 1 395.897 3.124 20 0 GGADMN O=C(NCCN1CC[C@@H](O)C1)c1cc(Cl)ccc1Sc1ccccc1 ZINC000629172243 566620685 /nfs/dbraw/zinc/62/06/85/566620685.db2.gz WOMAMFXERMXKBR-OAHLLOKOSA-N 0 1 376.909 3.288 20 0 GGADMN CN(CC[C@@H]1CCCO1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000467047276 566620983 /nfs/dbraw/zinc/62/09/83/566620983.db2.gz RKXILSSQSMSKAZ-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN COCCN1CC[C@@H](NC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000605883184 566621164 /nfs/dbraw/zinc/62/11/64/566621164.db2.gz UCHRGKBMLQALOI-SJORKVTESA-N 0 1 396.329 3.016 20 0 GGADMN CCC[C@@H](NC(=O)C[C@H](C)c1ccc(F)c(Br)c1)c1nn[nH]n1 ZINC000486784075 566621723 /nfs/dbraw/zinc/62/17/23/566621723.db2.gz VYOZEYQDTNDSLZ-TVQRCGJNSA-N 0 1 384.253 3.253 20 0 GGADMN Cc1sc2ncnc(SCCC(=O)N3CCN(C)[C@H](C)[C@H]3C)c2c1C ZINC000540019430 566621847 /nfs/dbraw/zinc/62/18/47/566621847.db2.gz YGQOKVVTLDXXIN-CHWSQXEVSA-N 0 1 378.567 3.341 20 0 GGADMN CCC[C@@H](NC(=O)C[C@@H](C)c1ccc(F)c(Br)c1)c1nn[nH]n1 ZINC000486784073 566622869 /nfs/dbraw/zinc/62/28/69/566622869.db2.gz VYOZEYQDTNDSLZ-NOZJJQNGSA-N 0 1 384.253 3.253 20 0 GGADMN COCCO[C@H]1CCN(c2ccnc3cc(OC)c(Br)cc32)C1 ZINC000425253476 566623373 /nfs/dbraw/zinc/62/33/73/566623373.db2.gz JPJNPOAEDOJTDX-LBPRGKRZSA-N 0 1 381.270 3.248 20 0 GGADMN COc1cc2nccc(N(C)CCNC(=O)C(C)C)c2cc1Br ZINC000425248688 566623380 /nfs/dbraw/zinc/62/33/80/566623380.db2.gz RPHTWIMBRUBBRR-UHFFFAOYSA-N 0 1 380.286 3.214 20 0 GGADMN Cc1nc(S(=O)(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)sc1Br ZINC000540041885 566623724 /nfs/dbraw/zinc/62/37/24/566623724.db2.gz VQBFHKGIUVUHFI-XQQFMLRXSA-N 0 1 399.335 3.078 20 0 GGADMN Cc1cnc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(Br)c1 ZINC000513788546 566624028 /nfs/dbraw/zinc/62/40/28/566624028.db2.gz SSAOIYQPWAYXLL-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2cccs2)cn1C ZINC000467074070 566623904 /nfs/dbraw/zinc/62/39/04/566623904.db2.gz JPMPFIBGPJAANK-UHFFFAOYSA-N 0 1 376.459 3.341 20 0 GGADMN CN(Cc1cc2c(c(Br)c1)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000513787126 566624211 /nfs/dbraw/zinc/62/42/11/566624211.db2.gz UACZADUKOOAQFH-CYBMUJFWSA-N 0 1 392.249 3.450 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)cn1C ZINC000467071851 566624473 /nfs/dbraw/zinc/62/44/73/566624473.db2.gz KKVMPMCETMBXLA-UHFFFAOYSA-N 0 1 376.459 3.341 20 0 GGADMN COC(=O)[C@@H]1CCN(c2ccnc3cc(OC)c(Br)cc32)[C@@H]1C ZINC000425260996 566624635 /nfs/dbraw/zinc/62/46/35/566624635.db2.gz YBDJRHBWOHYLFA-GHMZBOCLSA-N 0 1 379.254 3.394 20 0 GGADMN COC[C@H]1CN(c2ccnc3cc(OC)c(Br)cc32)C[C@H](C)O1 ZINC000425259681 566624788 /nfs/dbraw/zinc/62/47/88/566624788.db2.gz VMDXUHGEUNNHSY-NWDGAFQWSA-N 0 1 381.270 3.246 20 0 GGADMN Cn1nccc1[C@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000513787575 566624751 /nfs/dbraw/zinc/62/47/51/566624751.db2.gz BAUXZQWXESWXBL-ZDUSSCGKSA-N 0 1 378.270 3.291 20 0 GGADMN COc1cc2nccc(N3CCO[C@@]4(CCO[C@H]4C)C3)c2cc1Br ZINC000425257202 566624841 /nfs/dbraw/zinc/62/48/41/566624841.db2.gz IERVJFQJIDBBHG-SGTLLEGYSA-N 0 1 393.281 3.390 20 0 GGADMN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000675136370 566625390 /nfs/dbraw/zinc/62/53/90/566625390.db2.gz NGMFQNKKBKHBJL-NVXWUHKLSA-N 0 1 397.357 3.245 20 0 GGADMN COc1cc2nccc(N[C@@H](C)Cc3cnn(C)c3)c2cc1Br ZINC000425272808 566626009 /nfs/dbraw/zinc/62/60/09/566626009.db2.gz XLWLMQMROPNGGC-NSHDSACASA-N 0 1 375.270 3.204 20 0 GGADMN Cc1cc(CNCc2cnc(N3CCOCC3)s2)ccc1Br ZINC000486813767 566626113 /nfs/dbraw/zinc/62/61/13/566626113.db2.gz QXXSDBVZFODGEG-UHFFFAOYSA-N 0 1 382.327 3.340 20 0 GGADMN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCCN(CCOC)C1 ZINC000675136375 566626150 /nfs/dbraw/zinc/62/61/50/566626150.db2.gz NGMFQNKKBKHBJL-WBVHZDCISA-N 0 1 397.357 3.245 20 0 GGADMN Cc1c(C(=O)Nc2cc(Cl)cc(Br)c2O)nn2c1OCCC2 ZINC000450044451 566626769 /nfs/dbraw/zinc/62/67/69/566626769.db2.gz NPSIXWJFJGVDLC-UHFFFAOYSA-N 0 1 386.633 3.348 20 0 GGADMN CCOC(=O)c1cc2cc(NS(=O)(=O)c3cncc(F)c3)ccc2s1 ZINC000513820767 566627484 /nfs/dbraw/zinc/62/74/84/566627484.db2.gz WBBRVLXLCZAXIA-UHFFFAOYSA-N 0 1 380.422 3.413 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccccc2Cl)CN1Cc1ccccc1 ZINC000467124318 566627511 /nfs/dbraw/zinc/62/75/11/566627511.db2.gz GOGKTMBVEHSNOH-QAPCUYQASA-N 0 1 378.925 3.422 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000606339899 566627592 /nfs/dbraw/zinc/62/75/92/566627592.db2.gz REHZCTOYPCEWAY-MRXNPFEDSA-N 0 1 379.298 3.024 20 0 GGADMN COc1cc2nccc(N3CCC[C@H](n4ccnn4)C3)c2cc1Br ZINC000425278210 566627687 /nfs/dbraw/zinc/62/76/87/566627687.db2.gz RYQJECTVAYPMRE-LBPRGKRZSA-N 0 1 388.269 3.439 20 0 GGADMN CCOC(=O)c1sc(NS(=O)(=O)Cc2ccc(F)cc2F)cc1C ZINC000540077546 566628276 /nfs/dbraw/zinc/62/82/76/566628276.db2.gz GVPOYDHKDOSONI-UHFFFAOYSA-N 0 1 375.418 3.453 20 0 GGADMN COc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000486843421 566628567 /nfs/dbraw/zinc/62/85/67/566628567.db2.gz RETWZDOFROZQBY-LBPRGKRZSA-N 0 1 375.296 3.089 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425306339 566628877 /nfs/dbraw/zinc/62/88/77/566628877.db2.gz SJEPQOAVADFCSF-FPMFFAJLSA-N 0 1 392.253 3.047 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000675222276 566629071 /nfs/dbraw/zinc/62/90/71/566629071.db2.gz IIMCOJCLHMJNIW-UHFFFAOYSA-N 0 1 395.276 3.320 20 0 GGADMN O=C(c1c[nH]c2ccc(Br)cc12)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425308718 566629334 /nfs/dbraw/zinc/62/93/34/566629334.db2.gz VMWYOKGICWOIIM-SECBINFHSA-N 0 1 391.225 3.039 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)o1 ZINC000675199123 566629535 /nfs/dbraw/zinc/62/95/35/566629535.db2.gz VIQILXMMSLLYNL-UHFFFAOYSA-N 0 1 382.302 3.495 20 0 GGADMN CC[C@@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@@H](C)CO1 ZINC000652775500 566629624 /nfs/dbraw/zinc/62/96/24/566629624.db2.gz YVWHLYVXTFQFSX-WCQYABFASA-N 0 1 378.270 3.479 20 0 GGADMN O=C(c1ccc(Br)c(Cl)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425307523 566629735 /nfs/dbraw/zinc/62/97/35/566629735.db2.gz UGAIOTNMKYLJBH-VIFPVBQESA-N 0 1 386.633 3.211 20 0 GGADMN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425306173 566629816 /nfs/dbraw/zinc/62/98/16/566629816.db2.gz RUNXSBFKWJQQOP-FPMFFAJLSA-N 0 1 392.253 3.047 20 0 GGADMN Cc1ccc(C(C)(C)CN[C@@H](C(N)=O)c2cccc(Br)c2)nc1 ZINC000629256383 566630738 /nfs/dbraw/zinc/63/07/38/566630738.db2.gz JXFOHTONNFSFSK-MRXNPFEDSA-N 0 1 376.298 3.246 20 0 GGADMN O=C(c1ccc(Cl)cc1Br)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425322802 566631442 /nfs/dbraw/zinc/63/14/42/566631442.db2.gz OBXXEIXCJUUPKP-UHFFFAOYSA-N 0 1 386.633 3.211 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329476 566631659 /nfs/dbraw/zinc/63/16/59/566631659.db2.gz ZWMIETIQCNHNRN-UHFFFAOYSA-N 0 1 380.813 3.165 20 0 GGADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425322909 566631674 /nfs/dbraw/zinc/63/16/74/566631674.db2.gz OKFSFFFDBOUZSP-UONOGXRCSA-N 0 1 392.253 3.047 20 0 GGADMN COC(=O)CC1(NCc2ncc(I)s2)CCCCC1 ZINC000560495092 566632352 /nfs/dbraw/zinc/63/23/52/566632352.db2.gz UXNMMXYDMCFLEO-UHFFFAOYSA-N 0 1 394.278 3.103 20 0 GGADMN CC[C@H](NCCNS(=O)(=O)c1ccc(C)s1)c1cc(C)ccc1OC ZINC000540146981 566632646 /nfs/dbraw/zinc/63/26/46/566632646.db2.gz HJCJCDDCXHOJGU-INIZCTEOSA-N 0 1 382.551 3.393 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(Br)ccc1OC ZINC000486890214 566632916 /nfs/dbraw/zinc/63/29/16/566632916.db2.gz FIIQTUIBKJMVOM-HOCLYGCPSA-N 0 1 380.286 3.294 20 0 GGADMN CCNC(=O)C1(CNCc2nc(-c3cccc(Br)c3)c[nH]2)CCC1 ZINC000486885601 566633203 /nfs/dbraw/zinc/63/32/03/566633203.db2.gz VYRAFFSPOLQOCY-UHFFFAOYSA-N 0 1 391.313 3.235 20 0 GGADMN CN1CCN(C(=O)c2cc(Br)cc(Br)c2)C(C)(C)C1 ZINC000540200471 566634047 /nfs/dbraw/zinc/63/40/47/566634047.db2.gz FKXVTZAKBDMOKR-UHFFFAOYSA-N 0 1 390.119 3.378 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@H]1CCCCO1 ZINC000467188608 566633726 /nfs/dbraw/zinc/63/37/26/566633726.db2.gz ZQTHGHXFERMXNN-WMLDXEAASA-N 0 1 383.330 3.297 20 0 GGADMN Cc1cc(CNC(=O)NCC2(c3cccc(Br)c3)CCC2)n[nH]1 ZINC000606491455 566634116 /nfs/dbraw/zinc/63/41/16/566634116.db2.gz IBOYMSAFADISEQ-UHFFFAOYSA-N 0 1 377.286 3.402 20 0 GGADMN O=C([O-])[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000579724868 566634090 /nfs/dbraw/zinc/63/40/90/566634090.db2.gz TUSXFYAVZXTCGJ-CVEARBPZSA-N 0 1 386.261 3.290 20 0 GGADMN CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C2CC2)CC1 ZINC000579724127 566634267 /nfs/dbraw/zinc/63/42/67/566634267.db2.gz 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LGWSPURADZPCIV-INIZCTEOSA-N 0 1 393.329 3.195 20 0 GGADMN CN(CCN1CCN(c2ccccc2)CC1)c1ccc(Br)cn1 ZINC000606894300 566648305 /nfs/dbraw/zinc/64/83/05/566648305.db2.gz ZJLSLCYGNJDDKT-UHFFFAOYSA-N 0 1 375.314 3.103 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC(C(=O)NCCOC)CC1 ZINC000675487421 566649258 /nfs/dbraw/zinc/64/92/58/566649258.db2.gz JGDBSUMNEZSRCS-QGZVFWFLSA-N 0 1 383.330 3.375 20 0 GGADMN CN1CCN(C(=O)c2ccccc2I)C2(CCCCC2)C1 ZINC000467477034 566649512 /nfs/dbraw/zinc/64/95/12/566649512.db2.gz PQVBSKHGGZKBOI-UHFFFAOYSA-N 0 1 398.288 3.382 20 0 GGADMN COCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000425503504 566650314 /nfs/dbraw/zinc/65/03/14/566650314.db2.gz JBVNFTMGJHKTJY-ZDUSSCGKSA-N 0 1 388.339 3.363 20 0 GGADMN C[C@@H]1CN(C2CCN(c3ncnc4cc(Br)ccc43)CC2)CCO1 ZINC000450259097 566650504 /nfs/dbraw/zinc/65/05/04/566650504.db2.gz DJHGPONSWQXCDF-CYBMUJFWSA-N 0 1 391.313 3.082 20 0 GGADMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000467502341 566650613 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GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000676077666 566674873 /nfs/dbraw/zinc/67/48/73/566674873.db2.gz SAGUZJQVVJGXGP-UHFFFAOYSA-N 0 1 396.824 3.211 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)ccc1Br ZINC000580209200 566675004 /nfs/dbraw/zinc/67/50/04/566675004.db2.gz XAYXDFSFYVNBOB-INIZCTEOSA-N 0 1 396.329 3.476 20 0 GGADMN COc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)o1 ZINC000653510847 566675208 /nfs/dbraw/zinc/67/52/08/566675208.db2.gz OMTLPSPVMYNYSU-UHFFFAOYSA-N 0 1 394.269 3.055 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CC23CC3)cc1 ZINC000561073274 566675323 /nfs/dbraw/zinc/67/53/23/566675323.db2.gz YOSGAAHLDOOANT-ZDUSSCGKSA-N 0 1 376.503 3.387 20 0 GGADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000676076579 566675370 /nfs/dbraw/zinc/67/53/70/566675370.db2.gz UDUJAODTQRNOEQ-UHFFFAOYSA-N 0 1 378.397 3.283 20 0 GGADMN Cc1cc(CNC(=O)c2cccc(Br)c2[O-])cc(N2CCCC2)[nH+]1 ZINC000514896204 566676237 /nfs/dbraw/zinc/67/62/37/566676237.db2.gz 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Cc1nsc(C)c1CN(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000653622617 566681399 /nfs/dbraw/zinc/68/13/99/566681399.db2.gz MAZGGRGLWVYAOA-CQSZACIVSA-N 0 1 379.551 3.493 20 0 GGADMN OCCCN(CCOc1cc(F)cc(Br)c1)Cc1ccccn1 ZINC000514958732 566681817 /nfs/dbraw/zinc/68/18/17/566681817.db2.gz ODENKQFKUCHUMS-UHFFFAOYSA-N 0 1 383.261 3.247 20 0 GGADMN COCCSc1ccc([C@@H](C)NC(=O)c2csc(=NC3CC3)[nH]2)cc1 ZINC000425923786 566682241 /nfs/dbraw/zinc/68/22/41/566682241.db2.gz SYMWGHCXSXIJMD-GFCCVEGCSA-N 0 1 377.535 3.369 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](O)CN(C)Cc1cc(Br)cn1C ZINC000468087916 566682264 /nfs/dbraw/zinc/68/22/64/566682264.db2.gz SHJLILPWNIFOHO-KRWDZBQOSA-N 0 1 381.314 3.276 20 0 GGADMN Nc1ncccc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000450532819 566682335 /nfs/dbraw/zinc/68/23/35/566682335.db2.gz RCQHDJCYTFKTJE-UHFFFAOYSA-N 0 1 389.297 3.277 20 0 GGADMN Cc1nc([C@@H](C)Nc2nc(C(F)(F)F)ccc2I)n[nH]1 ZINC000450534709 566682672 /nfs/dbraw/zinc/68/26/72/566682672.db2.gz HKCNZASMMSFJRP-RXMQYKEDSA-N 0 1 397.142 3.305 20 0 GGADMN CC[C@@]1(O)CCN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000425932644 566682662 /nfs/dbraw/zinc/68/26/62/566682662.db2.gz VXQDLRYUOPABOX-MRXNPFEDSA-N 0 1 398.244 3.293 20 0 GGADMN Cc1ccc(C)c(OC[C@H](O)CN(C)Cc2cc(Br)cn2C)c1 ZINC000468098935 566683246 /nfs/dbraw/zinc/68/32/46/566683246.db2.gz CNWCSRCFBXZRRN-QGZVFWFLSA-N 0 1 381.314 3.276 20 0 GGADMN COc1ccccc1SC[C@@H](C)CNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000425930676 566683278 /nfs/dbraw/zinc/68/32/78/566683278.db2.gz YBWVQLHZTANBFH-LBPRGKRZSA-N 0 1 377.535 3.306 20 0 GGADMN CCN(CCNC(=O)N[C@@H]1COc2ccc(Cl)cc21)CCC(F)(F)F ZINC000425982105 566683875 /nfs/dbraw/zinc/68/38/75/566683875.db2.gz PXQFONPZJAJCSX-CYBMUJFWSA-N 0 1 379.810 3.347 20 0 GGADMN CN(C)c1cc(Br)cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000580337296 566684350 /nfs/dbraw/zinc/68/43/50/566684350.db2.gz WFNFNAKMCOUEDU-UHFFFAOYSA-N 0 1 376.214 3.146 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1C(=O)[O-] ZINC000629772770 566684227 /nfs/dbraw/zinc/68/42/27/566684227.db2.gz WUBFUJJSCONLJX-RISCZKNCSA-N 0 1 378.270 3.382 20 0 GGADMN CN1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)c2ccc(Br)cc21 ZINC000561201045 566684380 /nfs/dbraw/zinc/68/43/80/566684380.db2.gz SJGZTAYJFGPXOP-UHFFFAOYSA-N 0 1 398.264 3.331 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1C(=O)[O-] ZINC000629772651 566684565 /nfs/dbraw/zinc/68/45/65/566684565.db2.gz URXJZZYLAIQION-RISCZKNCSA-N 0 1 378.270 3.382 20 0 GGADMN CCOc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(Br)c1OC ZINC000629771944 566684932 /nfs/dbraw/zinc/68/49/32/566684932.db2.gz KEEUYBDDQQINGG-WCQYABFASA-N 0 1 386.286 3.399 20 0 GGADMN COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000515034462 566685896 /nfs/dbraw/zinc/68/58/96/566685896.db2.gz ZFXMGPWUICPCJC-UHFFFAOYSA-N 0 1 386.876 3.491 20 0 GGADMN CC(C)(C)n1cnc(=NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)[nH]1 ZINC000450561963 566686279 /nfs/dbraw/zinc/68/62/79/566686279.db2.gz MDZWJIOPSSVBMV-UHFFFAOYSA-N 0 1 380.221 3.090 20 0 GGADMN O=S(=O)(CCN1CCCC1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000580379451 566687170 /nfs/dbraw/zinc/68/71/70/566687170.db2.gz BFQYXBKSOGWAPO-MRXNPFEDSA-N 0 1 377.337 3.460 20 0 GGADMN OCC[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1Br ZINC000541019171 566687254 /nfs/dbraw/zinc/68/72/54/566687254.db2.gz IMUOFXZNZBRBKI-KBXCAEBGSA-N 0 1 398.272 3.041 20 0 GGADMN OCC[C@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1Br ZINC000541019173 566687562 /nfs/dbraw/zinc/68/75/62/566687562.db2.gz IMUOFXZNZBRBKI-KSSFIOAISA-N 0 1 398.272 3.041 20 0 GGADMN O=C(Nc1cc(N2CC[NH+]=C2[O-])ccc1F)c1sccc1Br ZINC000468189797 566687999 /nfs/dbraw/zinc/68/79/99/566687999.db2.gz SOMPJSWDFFYCRM-UHFFFAOYSA-N 0 1 384.230 3.432 20 0 GGADMN OC[C@]1(NCc2cc(Br)c3c(c2)OCCO3)CCc2ccccc21 ZINC000676355357 566688077 /nfs/dbraw/zinc/68/80/77/566688077.db2.gz LRGPGXKTGLBYII-LJQANCHMSA-N 0 1 390.277 3.144 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000515042327 566688076 /nfs/dbraw/zinc/68/80/76/566688076.db2.gz UFHOCGWYCVRJOW-BXUZGUMPSA-N 0 1 393.285 3.082 20 0 GGADMN O=[S@](CCN[C@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000541022656 566688264 /nfs/dbraw/zinc/68/82/64/566688264.db2.gz BGNNOVUMSHPFMB-VGOFRKELSA-N 0 1 382.323 3.270 20 0 GGADMN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2ccc(SC)cn2)cc1 ZINC000515073556 566690054 /nfs/dbraw/zinc/69/00/54/566690054.db2.gz OVBDYYFBLIVTSN-UHFFFAOYSA-N 0 1 380.491 3.055 20 0 GGADMN O=C(COc1cccc(Br)c1)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000468211702 566690171 /nfs/dbraw/zinc/69/01/71/566690171.db2.gz ZINJFCOJDNYHFD-UHFFFAOYSA-N 0 1 391.200 3.391 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccccc2-n2cncn2)c1Br ZINC000676408932 566690908 /nfs/dbraw/zinc/69/09/08/566690908.db2.gz OLVANCMSDUMRBY-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN CCc1[nH]nc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1Br ZINC000468232543 566690958 /nfs/dbraw/zinc/69/09/58/566690958.db2.gz ZQPVVGRCDRMYPX-UHFFFAOYSA-N 0 1 397.704 3.350 20 0 GGADMN Cc1ccccc1[C@@H](CO)NCC(=O)NCCc1cccc(Cl)c1Cl ZINC000541052654 566690955 /nfs/dbraw/zinc/69/09/55/566690955.db2.gz BSEROSSGWCBCQV-QGZVFWFLSA-N 0 1 381.303 3.284 20 0 GGADMN Cc1ccccc1[C@H](CO)NCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000541053359 566691198 /nfs/dbraw/zinc/69/11/98/566691198.db2.gz FDYYTJQYUIXDEI-KSSFIOAISA-N 0 1 391.309 3.258 20 0 GGADMN Cc1n[nH]c([C@H]2CCN([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)n1 ZINC000580413922 566691342 /nfs/dbraw/zinc/69/13/42/566691342.db2.gz PYTFYNCKDGUAAC-NHYWBVRUSA-N 0 1 380.279 3.015 20 0 GGADMN Cc1nnc([C@H]2CCN([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)[nH]1 ZINC000580413922 566691348 /nfs/dbraw/zinc/69/13/48/566691348.db2.gz PYTFYNCKDGUAAC-NHYWBVRUSA-N 0 1 380.279 3.015 20 0 GGADMN CC(C)N(C(=O)CN[C@H](CO)c1ccc(Br)cc1)C1CCCC1 ZINC000541053815 566691443 /nfs/dbraw/zinc/69/14/43/566691443.db2.gz HPAVBAZGKKXLAE-QGZVFWFLSA-N 0 1 383.330 3.252 20 0 GGADMN CCc1nn(C)c(CC)c1CNCc1cccc(I)c1 ZINC000561290143 566691946 /nfs/dbraw/zinc/69/19/46/566691946.db2.gz XPOQTIYYLWCKPI-UHFFFAOYSA-N 0 1 383.277 3.439 20 0 GGADMN O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1CCCN1C1CC1 ZINC000426102731 566692044 /nfs/dbraw/zinc/69/20/44/566692044.db2.gz RXQNULDJEKXBEC-CYBMUJFWSA-N 0 1 389.240 3.294 20 0 GGADMN COc1ccccc1[C@@H](CO)NCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000541055628 566692212 /nfs/dbraw/zinc/69/22/12/566692212.db2.gz VFTMHPYLIQNONM-MYYSRTQBSA-N 0 1 388.316 3.433 20 0 GGADMN CCc1ccc([C@H](CO)NCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000541054899 566692346 /nfs/dbraw/zinc/69/23/46/566692346.db2.gz WMWJHSNFLBTWBL-KRWDZBQOSA-N 0 1 377.282 3.273 20 0 GGADMN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1ncccc1N(C)C ZINC000515097433 566693260 /nfs/dbraw/zinc/69/32/60/566693260.db2.gz LVJGBRQRUURDID-CYBMUJFWSA-N 0 1 391.313 3.417 20 0 GGADMN O=C(NCCN1CC[C@H](O)C1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000629915689 566693626 /nfs/dbraw/zinc/69/36/26/566693626.db2.gz ZRCYTKZRRGGILO-INIZCTEOSA-N 0 1 376.909 3.288 20 0 GGADMN C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)CCO1 ZINC000580440534 566694191 /nfs/dbraw/zinc/69/41/91/566694191.db2.gz GHCFFPNPSHBYEB-OSRSDYAFSA-N 0 1 382.298 3.364 20 0 GGADMN C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)CCO1 ZINC000580440535 566694519 /nfs/dbraw/zinc/69/45/19/566694519.db2.gz GHCFFPNPSHBYEB-UTJXIGIESA-N 0 1 382.298 3.364 20 0 GGADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1 ZINC000541077202 566694758 /nfs/dbraw/zinc/69/47/58/566694758.db2.gz MSIFJJLUVZSPBU-UHFFFAOYSA-N 0 1 386.832 3.133 20 0 GGADMN O=C([O-])[C@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000580440908 566694827 /nfs/dbraw/zinc/69/48/27/566694827.db2.gz VVYPRWHUIVUVPF-HOCLYGCPSA-N 0 1 386.261 3.290 20 0 GGADMN CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000608041413 566695249 /nfs/dbraw/zinc/69/52/49/566695249.db2.gz XFBDOHWUDRUSFM-HNNXBMFYSA-N 0 1 382.888 3.374 20 0 GGADMN CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000608041414 566695839 /nfs/dbraw/zinc/69/58/39/566695839.db2.gz XFBDOHWUDRUSFM-OAHLLOKOSA-N 0 1 382.888 3.374 20 0 GGADMN CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000608040837 566696287 /nfs/dbraw/zinc/69/62/87/566696287.db2.gz HGZUZBBINSFIFX-INIZCTEOSA-N 0 1 382.888 3.374 20 0 GGADMN CN(CC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)C1CCC1 ZINC000629974810 566696473 /nfs/dbraw/zinc/69/64/73/566696473.db2.gz KETGOOQKZWXSFW-UHFFFAOYSA-N 0 1 379.810 3.123 20 0 GGADMN COc1cc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl ZINC000450665921 566696427 /nfs/dbraw/zinc/69/64/27/566696427.db2.gz GHOWQABGCCHHGZ-ZDUSSCGKSA-N 0 1 382.913 3.450 20 0 GGADMN O[C@H]1CCC[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)C1 ZINC000580482255 566696506 /nfs/dbraw/zinc/69/65/06/566696506.db2.gz LKBMBIABIWACOA-JQWIXIFHSA-N 0 1 390.241 3.303 20 0 GGADMN CN(CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)C1CCC1 ZINC000629965135 566696532 /nfs/dbraw/zinc/69/65/32/566696532.db2.gz SABMKWBAJANRDM-UHFFFAOYSA-N 0 1 391.313 3.311 20 0 GGADMN O[C@@H]1CCC[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)C1 ZINC000580482254 566696626 /nfs/dbraw/zinc/69/66/26/566696626.db2.gz LKBMBIABIWACOA-CMPLNLGQSA-N 0 1 390.241 3.303 20 0 GGADMN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc(Cl)c1[O-])C2 ZINC000629995628 566697864 /nfs/dbraw/zinc/69/78/64/566697864.db2.gz DVGRMHBWKUZYQM-MRXNPFEDSA-N 0 1 387.705 3.366 20 0 GGADMN CN(CC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CCC1 ZINC000629985503 566698368 /nfs/dbraw/zinc/69/83/68/566698368.db2.gz FWRWFPXRXGCABV-HNNXBMFYSA-N 0 1 384.307 3.089 20 0 GGADMN CN(CCn1cc(Br)cn1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000580492378 566698562 /nfs/dbraw/zinc/69/85/62/566698562.db2.gz JWHWOSYKFXNRKG-UHFFFAOYSA-N 0 1 380.290 3.189 20 0 GGADMN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)cc(Br)c1[O-])C2 ZINC000629995585 566698690 /nfs/dbraw/zinc/69/86/90/566698690.db2.gz BSGPHZZBZUUIIT-INIZCTEOSA-N 0 1 387.705 3.366 20 0 GGADMN CN(CC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CCC1 ZINC000629985506 566698721 /nfs/dbraw/zinc/69/87/21/566698721.db2.gz FWRWFPXRXGCABV-OAHLLOKOSA-N 0 1 384.307 3.089 20 0 GGADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000468360632 566698794 /nfs/dbraw/zinc/69/87/94/566698794.db2.gz OVLXUYRDUNEJMP-VIFPVBQESA-N 0 1 395.815 3.146 20 0 GGADMN COCCc1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cc1 ZINC000426196751 566698968 /nfs/dbraw/zinc/69/89/68/566698968.db2.gz OKBDIGYOCVTFGM-UHFFFAOYSA-N 0 1 385.283 3.142 20 0 GGADMN C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000515236399 566699012 /nfs/dbraw/zinc/69/90/12/566699012.db2.gz MGJIXWHBMJCVBW-VXGBXAGGSA-N 0 1 379.258 3.137 20 0 GGADMN Clc1ccccc1OCc1nnc(SCCc2c[nH]nn2)n1C1CC1 ZINC000580516361 566699308 /nfs/dbraw/zinc/69/93/08/566699308.db2.gz PJHGDWIOEDTVGY-UHFFFAOYSA-N 0 1 376.873 3.298 20 0 GGADMN COc1sc(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1Br ZINC000676568693 566700622 /nfs/dbraw/zinc/70/06/22/566700622.db2.gz LLTRZNSFIOCWPL-ZDUSSCGKSA-N 0 1 375.332 3.256 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2coc(-c3ccc(Br)cc3F)n2)n[nH]1 ZINC000561384337 566700849 /nfs/dbraw/zinc/70/08/49/566700849.db2.gz ZRXUVQYIGKUTON-ZETCQYMHSA-N 0 1 394.204 3.161 20 0 GGADMN Cc1nnc(SCCC(=O)NC(C)(C)c2ccc(Br)cc2)[nH]1 ZINC000468437093 566701247 /nfs/dbraw/zinc/70/12/47/566701247.db2.gz JCIRUQNWZITAQR-UHFFFAOYSA-N 0 1 383.315 3.409 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2c(C)onc2-c2cccc(Br)c2)n[nH]1 ZINC000561381280 566701652 /nfs/dbraw/zinc/70/16/52/566701652.db2.gz HOEMJPCXYBVXFB-QMMMGPOBSA-N 0 1 390.241 3.330 20 0 GGADMN CCC[C@]1(CO)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000561408696 566702532 /nfs/dbraw/zinc/70/25/32/566702532.db2.gz UZRKEAUHXYYWEP-SFHVURJKSA-N 0 1 392.297 3.464 20 0 GGADMN COC(=O)c1cn([C@H]2CCCN(CCc3c(Cl)cccc3Cl)C2)nn1 ZINC000450748113 566702733 /nfs/dbraw/zinc/70/27/33/566702733.db2.gz RXSZTCAVPKHCGX-LBPRGKRZSA-N 0 1 383.279 3.251 20 0 GGADMN COc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)sc1Br ZINC000468465165 566702687 /nfs/dbraw/zinc/70/26/87/566702687.db2.gz CIKDTVHGFKXRKW-GFCCVEGCSA-N 0 1 375.332 3.369 20 0 GGADMN CN1CCCC(C)(C)[C@H]1CNC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000468481039 566703803 /nfs/dbraw/zinc/70/38/03/566703803.db2.gz 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CCN1CCN([C@H]2CCN(C(=O)[C@H](C)c3c(Cl)cccc3Cl)C2)CC1 ZINC000609310393 566757517 /nfs/dbraw/zinc/75/75/17/566757517.db2.gz KBTCAOUUNGDDDT-CABCVRRESA-N 0 1 384.351 3.335 20 0 GGADMN CCN(CCNC(=O)COc1cccc(Br)c1)CCC(F)(F)F ZINC000427202710 566757859 /nfs/dbraw/zinc/75/78/59/566757859.db2.gz GNUWDQMRTZDWRB-UHFFFAOYSA-N 0 1 397.235 3.218 20 0 GGADMN Cc1nnc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000541884975 566758132 /nfs/dbraw/zinc/75/81/32/566758132.db2.gz WXOAEUAFAOZKNG-HNNXBMFYSA-N 0 1 379.917 3.136 20 0 GGADMN COc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(SC)n[nH]2)cc1 ZINC000630860516 566758191 /nfs/dbraw/zinc/75/81/91/566758191.db2.gz NAYNPMMCZAASPL-UHFFFAOYSA-N 0 1 375.479 3.148 20 0 GGADMN Cc1nnc(CNC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000541891178 566758198 /nfs/dbraw/zinc/75/81/98/566758198.db2.gz PCIDBBLNMBFFFK-ZDUSSCGKSA-N 0 1 376.873 3.423 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3scnc3C(C)C)cc2C[C@H]1C ZINC000451102096 566758490 /nfs/dbraw/zinc/75/84/90/566758490.db2.gz HTVFHHFJZZOXTI-LLVKDONJSA-N 0 1 379.507 3.365 20 0 GGADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000451103122 566758518 /nfs/dbraw/zinc/75/85/18/566758518.db2.gz GBRKKMLSDXUASE-UHFFFAOYSA-N 0 1 384.508 3.490 20 0 GGADMN C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)CC1(c2ccc(Br)cc2)CC1 ZINC000677687061 566758581 /nfs/dbraw/zinc/75/85/81/566758581.db2.gz LKNDAIFWUUHCLF-CQSZACIVSA-N 0 1 386.355 3.237 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2[C@@H](C)CN(CC)C[C@@H]2C)cc1OC ZINC000581213921 566758776 /nfs/dbraw/zinc/75/87/76/566758776.db2.gz ANSUMLFQXNNNQW-STQMWFEESA-N 0 1 399.329 3.411 20 0 GGADMN O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(Br)cc2c1OCC2 ZINC000562033965 566759498 /nfs/dbraw/zinc/75/94/98/566759498.db2.gz LFGPXVHEQUXTTA-UHFFFAOYSA-N 0 1 390.205 3.463 20 0 GGADMN CCN(CCNC(=O)COc1ccccc1Br)CCC(F)(F)F ZINC000427225413 566759882 /nfs/dbraw/zinc/75/98/82/566759882.db2.gz OPDZEALTOMLTLH-UHFFFAOYSA-N 0 1 397.235 3.218 20 0 GGADMN Cc1cc(C)n(CCCNCc2cn(-c3ccccc3Br)nn2)n1 ZINC000516353510 566760195 /nfs/dbraw/zinc/76/01/95/566760195.db2.gz XTPNGJZZJXHKGU-UHFFFAOYSA-N 0 1 389.301 3.023 20 0 GGADMN Cc1nn(C)c2sc([C@@H](C)NCCS(=O)(=O)c3ccc(F)cc3)cc12 ZINC000562062494 566760991 /nfs/dbraw/zinc/76/09/91/566760991.db2.gz VPPQZUDXKLAFMU-GFCCVEGCSA-N 0 1 381.498 3.207 20 0 GGADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000581255766 566761702 /nfs/dbraw/zinc/76/17/02/566761702.db2.gz HKSICKOOKPMDGK-RUZDIDTESA-N 0 1 381.881 3.286 20 0 GGADMN Cc1cccc(OC[C@@H](O)CN[C@@H](CCO)c2ccccc2Br)c1 ZINC000541951818 566762141 /nfs/dbraw/zinc/76/21/41/566762141.db2.gz KGEDZMNMJDRAOR-KXBFYZLASA-N 0 1 394.309 3.211 20 0 GGADMN OCC[C@H](NC[C@H](O)COCc1ccccc1)c1ccccc1Br ZINC000541955036 566762734 /nfs/dbraw/zinc/76/27/34/566762734.db2.gz TZYCNJKOVIPBTE-LPHOPBHVSA-N 0 1 394.309 3.040 20 0 GGADMN CCc1nc([C@H](C)NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n[nH]1 ZINC000677807572 566763641 /nfs/dbraw/zinc/76/36/41/566763641.db2.gz UXXNHEXWKCXLQC-VIFPVBQESA-N 0 1 377.297 3.330 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n[nH]1 ZINC000677807571 566763781 /nfs/dbraw/zinc/76/37/81/566763781.db2.gz UXXNHEXWKCXLQC-SECBINFHSA-N 0 1 377.297 3.330 20 0 GGADMN CN(C(=O)CCc1c[nH]nn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000630927292 566764909 /nfs/dbraw/zinc/76/49/09/566764909.db2.gz MZLTVQUDUJUWSR-ZDUSSCGKSA-N 0 1 381.299 3.195 20 0 GGADMN CN(C(=O)CCc1cnn[nH]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000630927292 566764913 /nfs/dbraw/zinc/76/49/13/566764913.db2.gz MZLTVQUDUJUWSR-ZDUSSCGKSA-N 0 1 381.299 3.195 20 0 GGADMN CCCN(CC(=O)OCC)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000609471666 566765113 /nfs/dbraw/zinc/76/51/13/566765113.db2.gz ZQQJBDZHCGEPMY-UHFFFAOYSA-N 0 1 394.269 3.255 20 0 GGADMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(OC)cc2O)c1 ZINC000427317789 566765439 /nfs/dbraw/zinc/76/54/39/566765439.db2.gz YNJMBVXEZIGPAP-UHFFFAOYSA-N 0 1 385.825 3.032 20 0 GGADMN CCc1ccc([C@H](CO)NCC(=O)Nc2ccccc2Br)cc1 ZINC000541982598 566765950 /nfs/dbraw/zinc/76/59/50/566765950.db2.gz KARRVKQMQPYZBM-KRWDZBQOSA-N 0 1 377.282 3.273 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)c1Br ZINC000469143692 566766328 /nfs/dbraw/zinc/76/63/28/566766328.db2.gz VJJDGEAQPDHKCL-AWEZNQCLSA-N 0 1 378.270 3.121 20 0 GGADMN COc1cc(OC)cc(OCCCNCc2ncc(Br)s2)c1 ZINC000541994035 566766814 /nfs/dbraw/zinc/76/68/14/566766814.db2.gz NWCRSDVYQDTPRW-UHFFFAOYSA-N 0 1 387.299 3.482 20 0 GGADMN COc1ccccc1OCC[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC000581316370 566766827 /nfs/dbraw/zinc/76/68/27/566766827.db2.gz VCTQDEHUWZVZOE-UHFFFAOYSA-N 0 1 394.265 3.423 20 0 GGADMN COCCn1ncc2ccc(NC(=O)c3ccc(Br)c(O)c3)cc21 ZINC000677871939 566767135 /nfs/dbraw/zinc/76/71/35/566767135.db2.gz ZIPLCNVAAGHSIV-UHFFFAOYSA-N 0 1 390.237 3.403 20 0 GGADMN O=C([O-])CC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000581315879 566767542 /nfs/dbraw/zinc/76/75/42/566767542.db2.gz XACFPXPFPMFYLG-UHFFFAOYSA-N 0 1 384.270 3.297 20 0 GGADMN COCc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)cc(C(=O)OC)c1 ZINC000427338401 566767591 /nfs/dbraw/zinc/76/75/91/566767591.db2.gz YXWSSGALAFFBPC-UHFFFAOYSA-N 0 1 387.816 3.213 20 0 GGADMN FC(F)(F)Oc1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)cc1Br ZINC000581306649 566767697 /nfs/dbraw/zinc/76/76/97/566767697.db2.gz MZCAVDCUAAOVIN-SNVBAGLBSA-N 0 1 391.191 3.455 20 0 GGADMN O=C([O-])C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(Cl)cc1 ZINC000581316138 566767728 /nfs/dbraw/zinc/76/77/28/566767728.db2.gz JBSINKZAVYIXMO-UHFFFAOYSA-N 0 1 381.881 3.091 20 0 GGADMN COCc1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc(C(=O)OC)c1 ZINC000427341042 566767955 /nfs/dbraw/zinc/76/79/55/566767955.db2.gz ZZYMPMVQONTDJX-UHFFFAOYSA-N 0 1 387.816 3.213 20 0 GGADMN CO[C@H](C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccccc1Br ZINC000654972069 566768433 /nfs/dbraw/zinc/76/84/33/566768433.db2.gz ANAWHTPYZGFWGV-GWCFXTLKSA-N 0 1 381.274 3.256 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cc3c(Br)cccc3cn2)CCN1C ZINC000451163066 566769090 /nfs/dbraw/zinc/76/90/90/566769090.db2.gz OODURQZWKKAJNZ-KRWDZBQOSA-N 0 1 376.298 3.410 20 0 GGADMN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccccc1I ZINC000516574484 566769537 /nfs/dbraw/zinc/76/95/37/566769537.db2.gz OQMJJZRVBWTEFP-CHWSQXEVSA-N 0 1 388.293 3.494 20 0 GGADMN C[C@@H]1CC[C@@H](N(CCO)Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000562212088 566769812 /nfs/dbraw/zinc/76/98/12/566769812.db2.gz QWRDBTQOAZKGCJ-UKRRQHHQSA-N 0 1 379.302 3.013 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000655005758 566770042 /nfs/dbraw/zinc/77/00/42/566770042.db2.gz UVDZSLILXHXDDZ-MEDUHNTESA-N 0 1 396.260 3.090 20 0 GGADMN CCc1[nH]nc(C(=O)N(C)Cc2cc(F)c(F)c(F)c2)c1Br ZINC000469211396 566771397 /nfs/dbraw/zinc/77/13/97/566771397.db2.gz SWRMLAMZHUHXPL-UHFFFAOYSA-N 0 1 376.176 3.424 20 0 GGADMN C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc([S@@](C)=O)cc1 ZINC000542046636 566771605 /nfs/dbraw/zinc/77/16/05/566771605.db2.gz IZHLVLOWZLIESL-OIRASMEMSA-N 0 1 384.954 3.448 20 0 GGADMN C[C@@](N)(C(=O)N1CCOc2ccc(F)cc2C1)c1ccc(Br)cc1 ZINC000581368697 566771884 /nfs/dbraw/zinc/77/18/84/566771884.db2.gz XUENELRWAIVXDW-SFHVURJKSA-N 0 1 393.256 3.183 20 0 GGADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000562229995 566772054 /nfs/dbraw/zinc/77/20/54/566772054.db2.gz LPUGSVJWOBEIPZ-UHFFFAOYSA-N 0 1 383.853 3.255 20 0 GGADMN Brc1ccc2onc(N3CCC[C@H](CN4CCOCC4)C3)c2c1 ZINC000562239486 566773296 /nfs/dbraw/zinc/77/32/96/566773296.db2.gz AKIRPSHDUBTPRI-CYBMUJFWSA-N 0 1 380.286 3.139 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@]1(C)OCCc2sccc21)c1ccsc1 ZINC000562245933 566773871 /nfs/dbraw/zinc/77/38/71/566773871.db2.gz TUCPLOKCEXJWJS-QAPCUYQASA-N 0 1 379.551 3.200 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)cnc2N(C)C)n[nH]1 ZINC000489176353 566773942 /nfs/dbraw/zinc/77/39/42/566773942.db2.gz KACNGUXRDUXZSV-NXEZZACHSA-N 0 1 395.305 3.033 20 0 GGADMN O=C(CCNCc1cccc(Br)c1Cl)NCc1cccnc1 ZINC000631052952 566774281 /nfs/dbraw/zinc/77/42/81/566774281.db2.gz RTUHXAGACNHNHI-UHFFFAOYSA-N 0 1 382.689 3.294 20 0 GGADMN CCCOCc1ccccc1CNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631044278 566774721 /nfs/dbraw/zinc/77/47/21/566774721.db2.gz MUVUEFYFJPGFNV-UHFFFAOYSA-N 0 1 382.913 3.204 20 0 GGADMN Cc1ccc(CCNC(=O)NCc2nc3cccc(Br)c3[nH]2)o1 ZINC000655054524 566775254 /nfs/dbraw/zinc/77/52/54/566775254.db2.gz JMGFURABGHKAKT-UHFFFAOYSA-N 0 1 377.242 3.269 20 0 GGADMN COC(=O)[C@@H]1CC12CCN([C@@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000609614614 566775544 /nfs/dbraw/zinc/77/55/44/566775544.db2.gz OFYIBFCBTLRUBJ-WFASDCNBSA-N 0 1 395.297 3.051 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000581412347 566775653 /nfs/dbraw/zinc/77/56/53/566775653.db2.gz BWHAHYVAHLXMIY-CYBMUJFWSA-N 0 1 383.283 3.132 20 0 GGADMN C[C@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000677998415 566775680 /nfs/dbraw/zinc/77/56/80/566775680.db2.gz FZAUNBJFYPONQK-MAUKXSAKSA-N 0 1 395.341 3.266 20 0 GGADMN CCN(CC)[C@H](CNS(=O)(=O)CCCF)c1ccc(C(F)(F)F)cc1 ZINC000427487095 566775933 /nfs/dbraw/zinc/77/59/33/566775933.db2.gz MZULKBGCGNOMCD-OAHLLOKOSA-N 0 1 384.439 3.367 20 0 GGADMN Cc1cc(CNC(=O)Nc2ccc(I)cc2Cl)n[nH]1 ZINC000609600674 566775976 /nfs/dbraw/zinc/77/59/76/566775976.db2.gz SRURVTLCTGGMFT-UHFFFAOYSA-N 0 1 390.612 3.298 20 0 GGADMN COc1cc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(F)cc1Br ZINC000631078062 566776174 /nfs/dbraw/zinc/77/61/74/566776174.db2.gz POJXCEGXSWVFKP-RYUDHWBXSA-N 0 1 394.306 3.042 20 0 GGADMN CS(=O)(=O)CC1(CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000542123242 566777255 /nfs/dbraw/zinc/77/72/55/566777255.db2.gz KGYYZIYUIXYDLQ-GOSISDBHSA-N 0 1 378.925 3.433 20 0 GGADMN CS(=O)(=O)CC1(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000542123243 566777535 /nfs/dbraw/zinc/77/75/35/566777535.db2.gz KGYYZIYUIXYDLQ-SFHVURJKSA-N 0 1 378.925 3.433 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NCc3ccncc3Br)C2)c1 ZINC000631084266 566778001 /nfs/dbraw/zinc/77/80/01/566778001.db2.gz VMUIQGDIKOEZMH-AWEZNQCLSA-N 0 1 392.297 3.230 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccncc3Br)C2)c1 ZINC000631084267 566778047 /nfs/dbraw/zinc/77/80/47/566778047.db2.gz VMUIQGDIKOEZMH-CQSZACIVSA-N 0 1 392.297 3.230 20 0 GGADMN CN(C[C@H]1COc2ccccc2O1)[C@H](CO)c1cccc(Br)c1 ZINC000678047970 566778290 /nfs/dbraw/zinc/77/82/90/566778290.db2.gz QRXPZTPGHDECLE-JKSUJKDBSA-N 0 1 378.266 3.254 20 0 GGADMN CCOc1ccncc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000451212850 566778938 /nfs/dbraw/zinc/77/89/38/566778938.db2.gz QKDJWIKLNPHODK-CQSZACIVSA-N 0 1 378.347 3.201 20 0 GGADMN C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451222677 566779061 /nfs/dbraw/zinc/77/90/61/566779061.db2.gz NDWJVTAMLFYTCB-SNVBAGLBSA-N 0 1 375.368 3.026 20 0 GGADMN CC(C)(C[C@H]1CCCN(CCOc2ccccc2Br)C1)C(N)=O ZINC000451220362 566779081 /nfs/dbraw/zinc/77/90/81/566779081.db2.gz VMLXKWBIZPJOOW-CQSZACIVSA-N 0 1 383.330 3.442 20 0 GGADMN NS(=O)(=O)c1cc(CNC[C@@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000631114370 566779291 /nfs/dbraw/zinc/77/92/91/566779291.db2.gz CTVTYNCIJZKDTB-ZDUSSCGKSA-N 0 1 392.830 3.423 20 0 GGADMN COc1ccc(Br)c2[nH]c(C(=O)N3CCN(C)CC3(C)C)cc21 ZINC000678055823 566779658 /nfs/dbraw/zinc/77/96/58/566779658.db2.gz RUYMISATZYSDRA-UHFFFAOYSA-N 0 1 380.286 3.105 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000542168486 566779729 /nfs/dbraw/zinc/77/97/29/566779729.db2.gz VCUXSSBAKBJSEB-HNNXBMFYSA-N 0 1 382.957 3.391 20 0 GGADMN O=C(N[C@@H]1CCc2sc(Cl)cc21)N1CCC[C@H](CN2CCOCC2)C1 ZINC000581461762 566780223 /nfs/dbraw/zinc/78/02/23/566780223.db2.gz IHPJASDYLWRCBW-UKRRQHHQSA-N 0 1 383.945 3.143 20 0 GGADMN CC(C)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(Br)cc1 ZINC000516745160 566780271 /nfs/dbraw/zinc/78/02/71/566780271.db2.gz NWJPRONKTBPVDH-HUUCEWRRSA-N 0 1 383.330 3.295 20 0 GGADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000581470489 566780646 /nfs/dbraw/zinc/78/06/46/566780646.db2.gz LBOZZWJWAMOBJM-MRVPVSSYSA-N 0 1 399.676 3.182 20 0 GGADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCOc2c(F)cccc2C1 ZINC000469316538 566781561 /nfs/dbraw/zinc/78/15/61/566781561.db2.gz YIGWAYVAAWSLBE-UHFFFAOYSA-N 0 1 390.212 3.499 20 0 GGADMN CN(C)Cc1cc(NCc2ccc(Cl)c(S(N)(=O)=O)c2)ccc1Cl ZINC000631126326 566781930 /nfs/dbraw/zinc/78/19/30/566781930.db2.gz ITIKHCYPFYVHLQ-UHFFFAOYSA-N 0 1 388.320 3.315 20 0 GGADMN C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000469328582 566782262 /nfs/dbraw/zinc/78/22/62/566782262.db2.gz SOOMWCZXFCPSQM-LLVKDONJSA-N 0 1 378.519 3.232 20 0 GGADMN C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000469328593 566782274 /nfs/dbraw/zinc/78/22/74/566782274.db2.gz SOOMWCZXFCPSQM-NSHDSACASA-N 0 1 378.519 3.232 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CCN1C ZINC000489325146 566782289 /nfs/dbraw/zinc/78/22/89/566782289.db2.gz ISRNTXAMRAHWME-KRWDZBQOSA-N 0 1 391.313 3.047 20 0 GGADMN O=c1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c[nH]1 ZINC000631124936 566782469 /nfs/dbraw/zinc/78/24/69/566782469.db2.gz CXHGILGZVXPNTH-ZDUSSCGKSA-N 0 1 391.187 3.392 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)[nH]1 ZINC000655153704 566782907 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GGADMN c1nc([C@H]2CCCO2)sc1CNCc1ccnc(N2CCSCC2)c1 ZINC000631241538 566792433 /nfs/dbraw/zinc/79/24/33/566792433.db2.gz WCHHEEUDNQKSRZ-MRXNPFEDSA-N 0 1 376.551 3.233 20 0 GGADMN C[C@@H](CNc1ccccc1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000581606132 566792690 /nfs/dbraw/zinc/79/26/90/566792690.db2.gz SJNRDHAFLZRMHJ-UGSOOPFHSA-N 0 1 376.298 3.240 20 0 GGADMN CCN(C)C(=O)[C@@H](NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C(C)C ZINC000451310977 566792720 /nfs/dbraw/zinc/79/27/20/566792720.db2.gz IVYOCEIWCZTKNQ-KRWDZBQOSA-N 0 1 388.339 3.044 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)[C@@H](C(=O)[O-])C1 ZINC000516939064 566792898 /nfs/dbraw/zinc/79/28/98/566792898.db2.gz KQYIBMOEUQVODL-HUUCEWRRSA-N 0 1 379.254 3.061 20 0 GGADMN Cc1n[nH]c(CCNC(=O)C2(c3ccc(Br)cc3)CCCCC2)n1 ZINC000678310841 566792809 /nfs/dbraw/zinc/79/28/09/566792809.db2.gz TXUNLUOCVHDZCJ-UHFFFAOYSA-N 0 1 391.313 3.436 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(Br)c1OC ZINC000516933063 566793360 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O=C(CCSc1cccc(Cl)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000516963293 566795454 /nfs/dbraw/zinc/79/54/54/566795454.db2.gz ULWDCIPAKMKJPE-INIZCTEOSA-N 0 1 382.957 3.393 20 0 GGADMN Cc1cccc(NS(=O)(=O)c2ccc(C)c(I)c2)n1 ZINC000427773797 566796044 /nfs/dbraw/zinc/79/60/44/566796044.db2.gz MPACQJKQFZNQTJ-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccnc2C)cc1I ZINC000427778795 566797455 /nfs/dbraw/zinc/79/74/55/566797455.db2.gz JYHRUINXNMIZPU-UHFFFAOYSA-N 0 1 388.230 3.104 20 0 GGADMN COC[C@@]1(C(=O)OC)CCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000451330696 566797503 /nfs/dbraw/zinc/79/75/03/566797503.db2.gz BDXHJSYCIFNKDA-GOSISDBHSA-N 0 1 380.897 3.475 20 0 GGADMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2OC)c1 ZINC000609985454 566797793 /nfs/dbraw/zinc/79/77/93/566797793.db2.gz KXIWMVNNNGFSEI-UHFFFAOYSA-N 0 1 383.853 3.255 20 0 GGADMN CCOc1cc(Cl)ccc1C(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC000489593086 566798409 /nfs/dbraw/zinc/79/84/09/566798409.db2.gz BYBMCRNIUZZAFQ-UHFFFAOYSA-N 0 1 383.853 3.490 20 0 GGADMN CCOCCC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H](C)C(=O)[O-] ZINC000581672059 566798512 /nfs/dbraw/zinc/79/85/12/566798512.db2.gz SDRFAEIMTSOLHS-GFCCVEGCSA-N 0 1 398.301 3.275 20 0 GGADMN CCOCCC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@@H](C)C(=O)[O-] ZINC000581672059 566798516 /nfs/dbraw/zinc/79/85/16/566798516.db2.gz SDRFAEIMTSOLHS-GFCCVEGCSA-N 0 1 398.301 3.275 20 0 GGADMN CCOCCC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@@H](C)C(=O)[O-] ZINC000581672059 566798521 /nfs/dbraw/zinc/79/85/21/566798521.db2.gz SDRFAEIMTSOLHS-GFCCVEGCSA-N 0 1 398.301 3.275 20 0 GGADMN CC(=O)N(c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1)[C@H]1C[C@@H]1C ZINC000562541684 566799263 /nfs/dbraw/zinc/79/92/63/566799263.db2.gz IMNUGHGLINURSC-GTNSWQLSSA-N 0 1 379.869 3.297 20 0 GGADMN C[C@@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)Nc1ncccn1 ZINC000581703094 566799860 /nfs/dbraw/zinc/79/98/60/566799860.db2.gz JUZHXGACBPKMAW-IAQYHMDHSA-N 0 1 389.297 3.479 20 0 GGADMN O=C(COCC1CCCC1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000517015704 566799980 /nfs/dbraw/zinc/79/99/80/566799980.db2.gz BBMAUKOYYYJPAI-UHFFFAOYSA-N 0 1 379.258 3.380 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000610033760 566800018 /nfs/dbraw/zinc/80/00/18/566800018.db2.gz MKPADDWUGUEQJD-VIFPVBQESA-N 0 1 380.495 3.348 20 0 GGADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000610033760 566800026 /nfs/dbraw/zinc/80/00/26/566800026.db2.gz MKPADDWUGUEQJD-VIFPVBQESA-N 0 1 380.495 3.348 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NC[C@@](C)(O)CSC)c1ccccc1Cl ZINC000610022287 566800266 /nfs/dbraw/zinc/80/02/66/566800266.db2.gz HTPKRKVJIIBXNN-SJLPKXTDSA-N 0 1 387.977 3.136 20 0 GGADMN C[C@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)Nc1ncccn1 ZINC000581703096 566801157 /nfs/dbraw/zinc/80/11/57/566801157.db2.gz JUZHXGACBPKMAW-XHDPSFHLSA-N 0 1 389.297 3.479 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000489654260 566801335 /nfs/dbraw/zinc/80/13/35/566801335.db2.gz PQWUVDCNFVJOBE-UHFFFAOYSA-N 0 1 382.913 3.101 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)NC3CCN(C4CC4)CC3)cc2)n1 ZINC000655468888 566801736 /nfs/dbraw/zinc/80/17/36/566801736.db2.gz BPFHPPDSWBXOOB-UHFFFAOYSA-N 0 1 377.535 3.024 20 0 GGADMN CN(C)Cc1ccc(CNS(=O)(=O)C[C@H]2CCCCC2(F)F)cc1F ZINC000451353779 566802131 /nfs/dbraw/zinc/80/21/31/566802131.db2.gz LCYTUMOOSIUWNW-OAHLLOKOSA-N 0 1 378.460 3.132 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc(CCNCc2nc3c(s2)CCC3)s1 ZINC000678495881 566802293 /nfs/dbraw/zinc/80/22/93/566802293.db2.gz FZKMUIGEEXBCTP-UHFFFAOYSA-N 0 1 399.607 3.056 20 0 GGADMN COc1ccc(C[C@@H](CO)CN[C@H](C)c2cscn2)cc1Br ZINC000562569043 566802712 /nfs/dbraw/zinc/80/27/12/566802712.db2.gz CBJLRFZORAPUSJ-DGCLKSJQSA-N 0 1 385.327 3.416 20 0 GGADMN Cc1[nH]c2nc(S(=O)(=O)C[C@H]3CCCC3(F)F)nc-2cc1Br ZINC000562563750 566803202 /nfs/dbraw/zinc/80/32/02/566803202.db2.gz HNQXEISPCCKMIT-MRVPVSSYSA-N 0 1 394.241 3.238 20 0 GGADMN CO[C@H](C(=O)N1CCNC[C@@H]1c1ccccc1)c1ccccc1Br ZINC000655478581 566803273 /nfs/dbraw/zinc/80/32/73/566803273.db2.gz WMOQDXXVNUVYDZ-MSOLQXFVSA-N 0 1 389.293 3.310 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(I)cc1C ZINC000562583873 566804348 /nfs/dbraw/zinc/80/43/48/566804348.db2.gz JDNFAWKTFXXZNI-CYBMUJFWSA-N 0 1 387.265 3.158 20 0 GGADMN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(Br)cn1 ZINC000517059443 566804665 /nfs/dbraw/zinc/80/46/65/566804665.db2.gz VRDKDLJDISYMNW-KXBFYZLASA-N 0 1 391.309 3.386 20 0 GGADMN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(Br)cn1 ZINC000517059442 566804863 /nfs/dbraw/zinc/80/48/63/566804863.db2.gz VRDKDLJDISYMNW-HNAYVOBHSA-N 0 1 391.309 3.386 20 0 GGADMN C[C@@](N)(C(=O)N1CCC[C@H](OC2CCC2)C1)c1ccc(Br)cc1 ZINC000655494421 566804792 /nfs/dbraw/zinc/80/47/92/566804792.db2.gz BJLZPVUWNJZWIT-WMZOPIPTSA-N 0 1 381.314 3.183 20 0 GGADMN Cc1nc(NC(=O)[C@@H](C)N2CCCCCC2)ccc1I ZINC000427907086 566804936 /nfs/dbraw/zinc/80/49/36/566804936.db2.gz SLWWOAWEVXREFP-GFCCVEGCSA-N 0 1 387.265 3.198 20 0 GGADMN C[C@@H](NC(=O)NCc1n[nH]c(C2CC2)n1)c1ccc(F)c(Br)c1 ZINC000655500737 566805434 /nfs/dbraw/zinc/80/54/34/566805434.db2.gz DXSXQTPLBRYREZ-MRVPVSSYSA-N 0 1 382.237 3.144 20 0 GGADMN CC(C)n1cc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000562600199 566806455 /nfs/dbraw/zinc/80/64/55/566806455.db2.gz OMSGVPWEXCDLEO-UHFFFAOYSA-N 0 1 377.246 3.425 20 0 GGADMN CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO1 ZINC000451373531 566807003 /nfs/dbraw/zinc/80/70/03/566807003.db2.gz IVSCDUSSXFCBOD-OLZOCXBDSA-N 0 1 381.416 3.283 20 0 GGADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000542506731 566807235 /nfs/dbraw/zinc/80/72/35/566807235.db2.gz PBZKPFPGGCJDCJ-KBPBESRZSA-N 0 1 381.822 3.431 20 0 GGADMN C[C@@](N)(C(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000581825185 566807385 /nfs/dbraw/zinc/80/73/85/566807385.db2.gz GHYOKFHLCMDKHP-SFHVURJKSA-N 0 1 375.266 3.044 20 0 GGADMN O=C(CNC[C@H](O)COCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000517127557 566807662 /nfs/dbraw/zinc/80/76/62/566807662.db2.gz OHYARPADOYLYDV-KRWDZBQOSA-N 0 1 383.275 3.099 20 0 GGADMN Cc1c([C@@H](C)N[C@@H](CO)CC2CC2)nnn1-c1cccc(Br)c1 ZINC000678607465 566807910 /nfs/dbraw/zinc/80/79/10/566807910.db2.gz KGCXHTQIBPMZQC-IAQYHMDHSA-N 0 1 379.302 3.150 20 0 GGADMN COc1ccccc1[C@@H](CNc1ncccc1I)N(C)C ZINC000610128339 566808768 /nfs/dbraw/zinc/80/87/68/566808768.db2.gz XORVRORJUQVIOQ-CQSZACIVSA-N 0 1 397.260 3.410 20 0 GGADMN COc1ccc(Br)c(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)c1 ZINC000542516399 566809119 /nfs/dbraw/zinc/80/91/19/566809119.db2.gz WYRCCUJKCMYMDJ-UHFFFAOYSA-N 0 1 387.237 3.424 20 0 GGADMN Cc1ccc2nc(CNC[C@@H](O)COc3cccc(Cl)c3Cl)cn2c1 ZINC000517187529 566809315 /nfs/dbraw/zinc/80/93/15/566809315.db2.gz MJROVCJPHKUBQL-CQSZACIVSA-N 0 1 380.275 3.479 20 0 GGADMN Cc1cnc([C@H](C)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)s1 ZINC000451391296 566809583 /nfs/dbraw/zinc/80/95/83/566809583.db2.gz CHCPWIUZGKHDPO-MRVPVSSYSA-N 0 1 380.413 3.258 20 0 GGADMN O=S(=O)(CCCOCc1ccccc1)Nc1cc(-c2cccs2)[nH]n1 ZINC000581862682 566809736 /nfs/dbraw/zinc/80/97/36/566809736.db2.gz UNHXVKSLCMVGRE-UHFFFAOYSA-N 0 1 377.491 3.487 20 0 GGADMN COC(=O)C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000542531515 566809881 /nfs/dbraw/zinc/80/98/81/566809881.db2.gz DJFBCSYCGCTZDT-DOTOQJQBSA-N 0 1 397.313 3.077 20 0 GGADMN COC(=O)C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000542531521 566810129 /nfs/dbraw/zinc/81/01/29/566810129.db2.gz DJFBCSYCGCTZDT-RDJZCZTQSA-N 0 1 397.313 3.077 20 0 GGADMN COCC[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)c1ccco1 ZINC000542532749 566810664 /nfs/dbraw/zinc/81/06/64/566810664.db2.gz KFLOKUGGEKGKNR-GDBMZVCRSA-N 0 1 384.270 3.149 20 0 GGADMN CC(C)(NCCOc1ccccc1Br)c1nnc2n1CCCC2 ZINC000451401701 566811111 /nfs/dbraw/zinc/81/11/11/566811111.db2.gz GRCTWINYRARFGT-UHFFFAOYSA-N 0 1 379.302 3.281 20 0 GGADMN Cc1cc(NC(=O)CNC2(C(=O)N(C)C)CCCCC2)ccc1Br ZINC000451399228 566811441 /nfs/dbraw/zinc/81/14/41/566811441.db2.gz GVHOYFYAEBBMJO-UHFFFAOYSA-N 0 1 396.329 3.077 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H](CO)C1CCCCC1 ZINC000562675608 566811948 /nfs/dbraw/zinc/81/19/48/566811948.db2.gz OGYDKNSYHROAFV-CQSZACIVSA-N 0 1 395.301 3.066 20 0 GGADMN CC[C@@H](NCC(=O)NCCCN1CCCCCC1=O)c1ccc(Cl)s1 ZINC000542558079 566812364 /nfs/dbraw/zinc/81/23/64/566812364.db2.gz ACOJCUINRRSVGV-CQSZACIVSA-N 0 1 385.961 3.351 20 0 GGADMN CNC(=O)[C@H](CCSC)N[C@H]1CCc2c1cc(Br)cc2F ZINC000489824635 566812399 /nfs/dbraw/zinc/81/23/99/566812399.db2.gz JFBZZWZMFDLMMF-KBPBESRZSA-N 0 1 375.307 3.033 20 0 GGADMN CC[C@@H](N[C@@H](CCSC)C(=O)NC)c1cc(F)cc(Br)c1 ZINC000489829422 566813142 /nfs/dbraw/zinc/81/31/42/566813142.db2.gz ZFMBPNUVENQLLL-KGLIPLIRSA-N 0 1 377.323 3.497 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3CCCN(C(C)C)C3)cc2)n1 ZINC000655556876 566813370 /nfs/dbraw/zinc/81/33/70/566813370.db2.gz PBGJMDHSSTYXMY-INIZCTEOSA-N 0 1 379.551 3.270 20 0 GGADMN C[C@H](NC[C@@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000562703263 566813416 /nfs/dbraw/zinc/81/34/16/566813416.db2.gz DXQQGJLJWWDQMO-RYUDHWBXSA-N 0 1 393.285 3.066 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000428063864 566813412 /nfs/dbraw/zinc/81/34/12/566813412.db2.gz ZGGTUVHEEGKDEI-NVXWUHKLSA-N 0 1 380.330 3.018 20 0 GGADMN C[C@@H](NC[C@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000562703264 566813964 /nfs/dbraw/zinc/81/39/64/566813964.db2.gz DXQQGJLJWWDQMO-VXGBXAGGSA-N 0 1 393.285 3.066 20 0 GGADMN COc1ccncc1CN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000517242382 566814318 /nfs/dbraw/zinc/81/43/18/566814318.db2.gz SIRIAWOEGRVDME-GFCCVEGCSA-N 0 1 378.270 3.360 20 0 GGADMN COc1cc(Cl)c(Br)cc1C(=O)NCCN1CC=C(C)CC1 ZINC000469797520 566814355 /nfs/dbraw/zinc/81/43/55/566814355.db2.gz CLXARGAJKVFCJC-UHFFFAOYSA-N 0 1 387.705 3.493 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](N[C@H]2C[C@@H](CO)C2)c2ccc(Cl)cc2)c1 ZINC000631671307 566814386 /nfs/dbraw/zinc/81/43/86/566814386.db2.gz XGFFWXQBCWIHQW-XVGQJIODSA-N 0 1 379.909 3.193 20 0 GGADMN CSCC[C@H](N[C@@H](C)c1ccc(Br)cc1F)C(=O)N(C)C ZINC000489860877 566814589 /nfs/dbraw/zinc/81/45/89/566814589.db2.gz RINWFCDMFIXKRY-HZMBPMFUSA-N 0 1 377.323 3.449 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Br)cc1F ZINC000451414332 566815150 /nfs/dbraw/zinc/81/51/50/566815150.db2.gz ICZMAGCUOASDTL-DAXOMENPSA-N 0 1 385.277 3.152 20 0 GGADMN Cc1cc(I)ccc1NC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000542646977 566815219 /nfs/dbraw/zinc/81/52/19/566815219.db2.gz WBYCCTBMUUNPQH-VXGBXAGGSA-N 0 1 387.265 3.156 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1nc(-c2cccs2)cs1 ZINC000451415268 566815395 /nfs/dbraw/zinc/81/53/95/566815395.db2.gz FOFGWICUVOKMSG-BPLDGKMQSA-N 0 1 377.535 3.436 20 0 GGADMN Cc1cc(OCC(=O)Nc2ccc(I)cc2)cc(C)n1 ZINC000581922977 566815519 /nfs/dbraw/zinc/81/55/19/566815519.db2.gz LXBRGEXIZDTDFF-UHFFFAOYSA-N 0 1 382.201 3.321 20 0 GGADMN C[C@]1(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CCOC1 ZINC000542618567 566815442 /nfs/dbraw/zinc/81/54/42/566815442.db2.gz DEZSFUJOGQITPM-INIZCTEOSA-N 0 1 384.454 3.053 20 0 GGADMN CSCC[C@H](N[C@@H]1CCc2c1cc(Br)cc2F)C(=O)N(C)C ZINC000489886858 566815581 /nfs/dbraw/zinc/81/55/81/566815581.db2.gz QZPARUXQJIMVES-CABCVRRESA-N 0 1 389.334 3.375 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1nc(-c2cccs2)cs1 ZINC000451415645 566815901 /nfs/dbraw/zinc/81/59/01/566815901.db2.gz FOFGWICUVOKMSG-NWANDNLSSA-N 0 1 377.535 3.436 20 0 GGADMN COC(=O)c1cccc(Br)c1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451415722 566816206 /nfs/dbraw/zinc/81/62/06/566816206.db2.gz FXWQWAKBZJXNCG-XKQJLSEDSA-N 0 1 382.298 3.361 20 0 GGADMN FC(F)(F)[C@H](CN[C@@H]1CCc2cc(Br)ccc21)n1cncn1 ZINC000631685971 566816253 /nfs/dbraw/zinc/81/62/53/566816253.db2.gz BQINQVDHQWNORH-OLZOCXBDSA-N 0 1 375.192 3.421 20 0 GGADMN Cc1ccc(NC(=O)C[C@@H](C)NCc2c(Br)cnn2C)c(C)c1 ZINC000631684275 566816680 /nfs/dbraw/zinc/81/66/80/566816680.db2.gz LNVDBDKTJQHNMD-CYBMUJFWSA-N 0 1 379.302 3.306 20 0 GGADMN O=S(=O)(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1cncc(Cl)c1 ZINC000562735399 566816943 /nfs/dbraw/zinc/81/69/43/566816943.db2.gz UXPLTDKGTGIREA-UHFFFAOYSA-N 0 1 391.802 3.414 20 0 GGADMN COC(=O)[C@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@H]1C ZINC000469839263 566818046 /nfs/dbraw/zinc/81/80/46/566818046.db2.gz CQSWYYUUTZGIFR-JQWIXIFHSA-N 0 1 376.678 3.365 20 0 GGADMN C[C@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(F)c(Br)c1 ZINC000631695471 566818454 /nfs/dbraw/zinc/81/84/54/566818454.db2.gz FOZYDCLJHCOYSQ-JTQLQIEISA-N 0 1 383.265 3.451 20 0 GGADMN COC(=O)[C@H]1CCN(CCOc2ccc(Cl)cc2Br)[C@@H]1C ZINC000469839264 566818577 /nfs/dbraw/zinc/81/85/77/566818577.db2.gz CQSWYYUUTZGIFR-PWSUYJOCSA-N 0 1 376.678 3.365 20 0 GGADMN C[C@@H](NCc1n[nH]c(C2CCOCC2)n1)c1ccc(F)c(Br)c1 ZINC000631695473 566818520 /nfs/dbraw/zinc/81/85/20/566818520.db2.gz FOZYDCLJHCOYSQ-SNVBAGLBSA-N 0 1 383.265 3.451 20 0 GGADMN CSCC[C@H](N[C@H](C)c1cc(Br)ccc1F)C(=O)N(C)C ZINC000489961368 566818683 /nfs/dbraw/zinc/81/86/83/566818683.db2.gz YZLCFETZNWKJHD-YGRLFVJLSA-N 0 1 377.323 3.449 20 0 GGADMN FC(F)(F)[C@H](CN[C@H]1CCc2sc(Br)cc21)n1cncn1 ZINC000631694603 566818750 /nfs/dbraw/zinc/81/87/50/566818750.db2.gz YYUQZIJGVDFUBF-WPRPVWTQSA-N 0 1 381.221 3.483 20 0 GGADMN COc1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1Br ZINC000542693400 566818849 /nfs/dbraw/zinc/81/88/49/566818849.db2.gz XKPPWXNBYAXIOO-UHFFFAOYSA-N 0 1 375.266 3.033 20 0 GGADMN COc1cc([C@@H](C)N[C@@H](CCSC)C(=O)N(C)C)ccc1OC(F)F ZINC000489939507 566819483 /nfs/dbraw/zinc/81/94/83/566819483.db2.gz CXRXMJASXCSDHM-YPMHNXCESA-N 0 1 376.469 3.157 20 0 GGADMN O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc(Br)c1O ZINC000581975648 566819604 /nfs/dbraw/zinc/81/96/04/566819604.db2.gz PJEJVUDVTRFPHQ-RDTXWAMCSA-N 0 1 376.250 3.051 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC000631721639 566820520 /nfs/dbraw/zinc/82/05/20/566820520.db2.gz ZGLAWVJGNNJTAC-OZVIIMIRSA-N 0 1 379.444 3.365 20 0 GGADMN Cc1nocc1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000631728502 566820587 /nfs/dbraw/zinc/82/05/87/566820587.db2.gz QUDIJSXAGVRPQG-HTQZYQBOSA-N 0 1 380.310 3.171 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000542727695 566820975 /nfs/dbraw/zinc/82/09/75/566820975.db2.gz HXYBSYXHPPHEMO-LBPRGKRZSA-N 0 1 379.917 3.132 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cccc(Br)c1[O-])[NH+](C)C ZINC000517349118 566821097 /nfs/dbraw/zinc/82/10/97/566821097.db2.gz XWBVXQVYNYJBQP-HNNXBMFYSA-N 0 1 393.281 3.196 20 0 GGADMN COC(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H]1C ZINC000469862402 566821193 /nfs/dbraw/zinc/82/11/93/566821193.db2.gz NTRZASOGUDNULL-NWJSVONSSA-N 0 1 387.307 3.443 20 0 GGADMN Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000542745641 566823506 /nfs/dbraw/zinc/82/35/06/566823506.db2.gz MMDZJZBGJHHPOU-MRXNPFEDSA-N 0 1 376.869 3.324 20 0 GGADMN O=S(=O)(NCc1n[nH]c([C@H]2CCCO2)n1)c1csc2ccc(Cl)cc21 ZINC000655630199 566823668 /nfs/dbraw/zinc/82/36/68/566823668.db2.gz FXSVCTNDIAPYRJ-LLVKDONJSA-N 0 1 398.897 3.003 20 0 GGADMN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000517395353 566824021 /nfs/dbraw/zinc/82/40/21/566824021.db2.gz HQQUSOVQBGWRJT-HNNXBMFYSA-N 0 1 381.263 3.039 20 0 GGADMN COc1ccc(Br)c([C@@H](CO)N(C)Cc2n[nH]c(C(C)(C)C)n2)c1 ZINC000451468347 566823959 /nfs/dbraw/zinc/82/39/59/566823959.db2.gz ZXXQGUZWRAEZFV-CQSZACIVSA-N 0 1 397.317 3.039 20 0 GGADMN C[S@@](=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000610306200 566824193 /nfs/dbraw/zinc/82/41/93/566824193.db2.gz SKBIRBHZJAIGDN-JOCHJYFZSA-N 0 1 378.251 3.315 20 0 GGADMN COc1ccc(Br)c([C@H](CO)N(C)Cc2n[nH]c(C(C)(C)C)n2)c1 ZINC000451468346 566824152 /nfs/dbraw/zinc/82/41/52/566824152.db2.gz ZXXQGUZWRAEZFV-AWEZNQCLSA-N 0 1 397.317 3.039 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000582038956 566824681 /nfs/dbraw/zinc/82/46/81/566824681.db2.gz DUWYGWPZEWLNJA-LDYMZIIASA-N 0 1 396.314 3.337 20 0 GGADMN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1C ZINC000610335398 566825010 /nfs/dbraw/zinc/82/50/10/566825010.db2.gz FGAFIDIHEAMLAE-UHFFFAOYSA-N 0 1 381.475 3.483 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c[nH]1 ZINC000610335491 566825143 /nfs/dbraw/zinc/82/51/43/566825143.db2.gz JOWBGYIQODNWCO-UHFFFAOYSA-N 0 1 394.396 3.257 20 0 GGADMN C[C@@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)c1nnc[nH]1 ZINC000542775219 566825648 /nfs/dbraw/zinc/82/56/48/566825648.db2.gz IZZQVPUZTCDUPG-YGRLFVJLSA-N 0 1 378.274 3.469 20 0 GGADMN COC1CCN(C(C)(C)CNC(=O)c2sccc2Br)CC1 ZINC000517407265 566825807 /nfs/dbraw/zinc/82/58/07/566825807.db2.gz UCOOJXTZCFFVFX-UHFFFAOYSA-N 0 1 375.332 3.130 20 0 GGADMN O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1Cc2ccccc2CN1 ZINC000490031242 566825955 /nfs/dbraw/zinc/82/59/55/566825955.db2.gz AHHBVEBPMFMTSM-SJORKVTESA-N 0 1 387.277 3.103 20 0 GGADMN CO[C@@H]1C[C@H](NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1(C)C ZINC000451492556 566826465 /nfs/dbraw/zinc/82/64/65/566826465.db2.gz JQTBQLJQNIRDSF-JKSUJKDBSA-N 0 1 380.535 3.117 20 0 GGADMN COc1ccc(-c2n[nH]c(Sc3nnc(C)c(C)n3)n2)cc1Br ZINC000428257530 566826571 /nfs/dbraw/zinc/82/65/71/566826571.db2.gz SXNAFUQFTNEULV-UHFFFAOYSA-N 0 1 393.270 3.196 20 0 GGADMN CO[C@@H]1C[C@@H](NCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1(C)C ZINC000451492555 566827354 /nfs/dbraw/zinc/82/73/54/566827354.db2.gz JQTBQLJQNIRDSF-HZPDHXFCSA-N 0 1 380.535 3.117 20 0 GGADMN O=C(NCCNCc1nc2c(s1)CCCC2)c1ccc(Br)cc1 ZINC000678951045 566827847 /nfs/dbraw/zinc/82/78/47/566827847.db2.gz IDUMYHQHIUEVGF-UHFFFAOYSA-N 0 1 394.338 3.304 20 0 GGADMN Cc1cc(NC(=O)c2cnc3c(cnn3C)c2O)c(F)cc1Br ZINC000490049402 566827910 /nfs/dbraw/zinc/82/79/10/566827910.db2.gz VYNCVDBZZBIZAC-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN Cc1cc(NC(=O)c2cnc3n(C)[nH]cc-3c2=O)c(F)cc1Br ZINC000490049402 566827916 /nfs/dbraw/zinc/82/79/16/566827916.db2.gz VYNCVDBZZBIZAC-UHFFFAOYSA-N 0 1 379.189 3.136 20 0 GGADMN CN(C)C(=O)C[C@@H](NC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000562857460 566828278 /nfs/dbraw/zinc/82/82/78/566828278.db2.gz SSWZPEVAIJPASS-OAHLLOKOSA-N 0 1 391.265 3.104 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(Br)cnc1OCC1CC1 ZINC000562857502 566828326 /nfs/dbraw/zinc/82/83/26/566828326.db2.gz PRIBZIMTJQPLSY-CQSZACIVSA-N 0 1 391.269 3.163 20 0 GGADMN Cc1cc(CCNCc2c(Br)cncc2Br)on1 ZINC000582094687 566829618 /nfs/dbraw/zinc/82/96/18/566829618.db2.gz ZEEDZBHQBHZESD-UHFFFAOYSA-N 0 1 375.064 3.235 20 0 GGADMN CC(C)O[C@@H]1C[C@@H](NCc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451499799 566829243 /nfs/dbraw/zinc/82/92/43/566829243.db2.gz OLOPRUVSGCRNSG-HUUCEWRRSA-N 0 1 394.317 3.107 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cnc3c(c2)COCC3)c(C)cc1Br ZINC000679001995 566829541 /nfs/dbraw/zinc/82/95/41/566829541.db2.gz BTYJWAZBYKWLDK-UHFFFAOYSA-N 0 1 397.294 3.334 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000562888299 566830054 /nfs/dbraw/zinc/83/00/54/566830054.db2.gz SIZTYVXRFARKMC-GFCCVEGCSA-N 0 1 386.290 3.024 20 0 GGADMN CSc1ccsc1C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000517521909 566830485 /nfs/dbraw/zinc/83/04/85/566830485.db2.gz WCNYWVKXAHPFDI-MRXNPFEDSA-N 0 1 375.563 3.189 20 0 GGADMN COC(=O)c1ccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[nH]1 ZINC000542854872 566831353 /nfs/dbraw/zinc/83/13/53/566831353.db2.gz XESXUQAAAUXETD-AWEZNQCLSA-N 0 1 382.247 3.003 20 0 GGADMN O[C@H](CNCc1ccc(Cl)cc1I)CC(F)(F)F ZINC000582118082 566831838 /nfs/dbraw/zinc/83/18/38/566831838.db2.gz XNAYXGZKYFZQJK-VIFPVBQESA-N 0 1 393.574 3.348 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000490123446 566832526 /nfs/dbraw/zinc/83/25/26/566832526.db2.gz BXPRXMJEKXPEFX-RDBSUJKOSA-N 0 1 388.339 3.021 20 0 GGADMN CN1C[C@H](NCc2cc(Br)ccc2OCc2ccccc2)CC1=O ZINC000517559585 566833124 /nfs/dbraw/zinc/83/31/24/566833124.db2.gz GXJMAIPLLKDBQJ-QGZVFWFLSA-N 0 1 389.293 3.348 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CSc1nnc(-c2sc(C)nc2C)o1 ZINC000582133073 566833161 /nfs/dbraw/zinc/83/31/61/566833161.db2.gz IKCXDZINMYCUJR-UHFFFAOYSA-N 0 1 379.467 3.310 20 0 GGADMN C[C@H]1CC[C@H](N(C)C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000469975908 566833266 /nfs/dbraw/zinc/83/32/66/566833266.db2.gz ULHUVFCVLBBPOB-ONGXEEELSA-N 0 1 383.233 3.428 20 0 GGADMN C[C@@H]1C[C@@H](N[C@@H]2CCc3c2ccc(Cl)c3Cl)C(=O)N1c1cnn(C)c1 ZINC000679063221 566833416 /nfs/dbraw/zinc/83/34/16/566833416.db2.gz JARYNHJZXNEQKS-UHNFBRDESA-N 0 1 379.291 3.498 20 0 GGADMN C[C@@H]1C[C@H](N[C@@H]2CCc3c2ccc(Cl)c3Cl)C(=O)N1c1cnn(C)c1 ZINC000679063213 566833638 /nfs/dbraw/zinc/83/36/38/566833638.db2.gz JARYNHJZXNEQKS-GTTSAUCSSA-N 0 1 379.291 3.498 20 0 GGADMN C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(Br)s1 ZINC000679062577 566833702 /nfs/dbraw/zinc/83/37/02/566833702.db2.gz BHBGWKARJMYFET-SCVCMEIPSA-N 0 1 383.315 3.089 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1Cl ZINC000655669227 566833784 /nfs/dbraw/zinc/83/37/84/566833784.db2.gz NAEZECZUVFZITA-VXGBXAGGSA-N 0 1 393.336 3.297 20 0 GGADMN C[C@@H]1C[C@@H](N[C@H]2CCSc3c(Cl)cccc32)C(=O)N1c1cnn(C)c1 ZINC000679063430 566833827 /nfs/dbraw/zinc/83/38/27/566833827.db2.gz KBFOCAZRPOZDBA-XFBWCDHKSA-N 0 1 376.913 3.394 20 0 GGADMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NCC(=O)c1cccs1 ZINC000517587061 566833970 /nfs/dbraw/zinc/83/39/70/566833970.db2.gz BJTJQYBKPLBEBQ-UHFFFAOYSA-N 0 1 392.893 3.278 20 0 GGADMN O=S(=O)(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(CC(F)(F)F)cc1 ZINC000655667903 566833883 /nfs/dbraw/zinc/83/38/83/566833883.db2.gz LBFUOSMJXWNJRY-CVEARBPZSA-N 0 1 376.444 3.087 20 0 GGADMN O=S(=O)(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(CC(F)(F)F)cc1 ZINC000655667905 566834090 /nfs/dbraw/zinc/83/40/90/566834090.db2.gz LBFUOSMJXWNJRY-HZPDHXFCSA-N 0 1 376.444 3.087 20 0 GGADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)C[C@H]1CCCCC1(F)F)c1ccco1 ZINC000451534714 566834140 /nfs/dbraw/zinc/83/41/40/566834140.db2.gz NICBYMKISXRRFC-ZNMIVQPWSA-N 0 1 378.485 3.454 20 0 GGADMN C[C@@H]1C[C@@H](N[C@H]2CCc3c2ccc(Cl)c3Cl)C(=O)N1c1cnn(C)c1 ZINC000679063218 566834185 /nfs/dbraw/zinc/83/41/85/566834185.db2.gz JARYNHJZXNEQKS-HPEXNQPKSA-N 0 1 379.291 3.498 20 0 GGADMN Cc1n[nH]c(C(C)C)c1C(=O)N(CCO)Cc1cccc(Br)c1 ZINC000490187789 566834496 /nfs/dbraw/zinc/83/44/96/566834496.db2.gz OAQCCQRPCBYOAF-UHFFFAOYSA-N 0 1 380.286 3.239 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H]2CCCN3CCCC[C@H]23)c(Cl)c1Cl ZINC000655669225 566834549 /nfs/dbraw/zinc/83/45/49/566834549.db2.gz NAEZECZUVFZITA-NWDGAFQWSA-N 0 1 393.336 3.297 20 0 GGADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(CC(F)(F)F)cc1 ZINC000655667906 566834778 /nfs/dbraw/zinc/83/47/78/566834778.db2.gz LBFUOSMJXWNJRY-JKSUJKDBSA-N 0 1 376.444 3.087 20 0 GGADMN O=S(=O)(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1C(F)(F)F ZINC000655669796 566834875 /nfs/dbraw/zinc/83/48/75/566834875.db2.gz RQSTVUICKMMMEN-KGLIPLIRSA-N 0 1 380.407 3.140 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655668453 566835041 /nfs/dbraw/zinc/83/50/41/566835041.db2.gz FDHAMKHBCAXUPC-HOTGVXAUSA-N 0 1 377.337 3.430 20 0 GGADMN C[C@@H]1C[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)C(=O)N1c1cnn(C)c1 ZINC000679068264 566835402 /nfs/dbraw/zinc/83/54/02/566835402.db2.gz YJOUCUAKVSGNQM-XFBWCDHKSA-N 0 1 376.913 3.394 20 0 GGADMN CCO[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C ZINC000451539304 566835431 /nfs/dbraw/zinc/83/54/31/566835431.db2.gz JYWLXVIBMUGBTR-RRQGHBQHSA-N 0 1 381.314 3.301 20 0 GGADMN CC(C)CCn1nccc1NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000562938495 566835652 /nfs/dbraw/zinc/83/56/52/566835652.db2.gz XZOKZMLVCWTDGJ-UHFFFAOYSA-N 0 1 377.388 3.471 20 0 GGADMN C[C@@H]1C[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)C(=O)N1c1cnn(C)c1 ZINC000679068261 566835691 /nfs/dbraw/zinc/83/56/91/566835691.db2.gz YJOUCUAKVSGNQM-HFBAOOFYSA-N 0 1 376.913 3.394 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000542908387 566836110 /nfs/dbraw/zinc/83/61/10/566836110.db2.gz FLFAUZBEGMFBIS-KSSFIOAISA-N 0 1 391.309 3.292 20 0 GGADMN Cc1ccc(S(=O)(=O)N[C@H]2CCCN3CCCC[C@H]23)c(Br)c1 ZINC000655670314 566836183 /nfs/dbraw/zinc/83/61/83/566836183.db2.gz XPDWQDMXLVLHLC-LSDHHAIUSA-N 0 1 387.343 3.053 20 0 GGADMN C[C@@H](c1ccccc1)N(C)C(=O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000542908373 566836223 /nfs/dbraw/zinc/83/62/23/566836223.db2.gz FLFAUZBEGMFBIS-KBXCAEBGSA-N 0 1 391.309 3.292 20 0 GGADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000542909436 566836428 /nfs/dbraw/zinc/83/64/28/566836428.db2.gz LOZGCQYTSLLRKF-KBRIMQKVSA-N 0 1 383.330 3.109 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@@H]1C ZINC000470007040 566837067 /nfs/dbraw/zinc/83/70/67/566837067.db2.gz XSDRZWFYVQGPPI-RISCZKNCSA-N 0 1 379.254 3.488 20 0 GGADMN COC(=O)[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@@H]1C ZINC000469997723 566837127 /nfs/dbraw/zinc/83/71/27/566837127.db2.gz ABMPPLJFFOEZJE-RISCZKNCSA-N 0 1 379.254 3.488 20 0 GGADMN CCO[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C ZINC000451550150 566837268 /nfs/dbraw/zinc/83/72/68/566837268.db2.gz WMYZEZJTPKGTOL-IUODEOHRSA-N 0 1 389.359 3.216 20 0 GGADMN Cc1ccccc1[C@@H](CO)NCC(=O)N(C)Cc1cc(Br)cs1 ZINC000542910687 566838291 /nfs/dbraw/zinc/83/82/91/566838291.db2.gz KSAFZKCCSBPCCM-MRXNPFEDSA-N 0 1 397.338 3.101 20 0 GGADMN CCO[C@@H]1CCN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C ZINC000451550151 566838337 /nfs/dbraw/zinc/83/83/37/566838337.db2.gz WMYZEZJTPKGTOL-SWLSCSKDSA-N 0 1 389.359 3.216 20 0 GGADMN Cc1ccc(-c2ncc(CNCCS(=O)(=O)NC(C)(C)C)s2)cc1C ZINC000655718530 566838498 /nfs/dbraw/zinc/83/84/98/566838498.db2.gz LNWUAUOSFSIZPY-UHFFFAOYSA-N 0 1 381.567 3.234 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)CN1C1CC1 ZINC000428407793 566839634 /nfs/dbraw/zinc/83/96/34/566839634.db2.gz ZROASMPOSWBECC-NXEZZACHSA-N 0 1 393.734 3.006 20 0 GGADMN O[C@@H](COCC(F)(F)F)C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562731 566839703 /nfs/dbraw/zinc/83/97/03/566839703.db2.gz CZWHOELXECBFNL-GXTWGEPZSA-N 0 1 382.220 3.178 20 0 GGADMN O[C@@H](COCC(F)(F)F)CN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451562731 566839709 /nfs/dbraw/zinc/83/97/09/566839709.db2.gz CZWHOELXECBFNL-GXTWGEPZSA-N 0 1 382.220 3.178 20 0 GGADMN Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1CCCn2ccnc21 ZINC000655730929 566840062 /nfs/dbraw/zinc/84/00/62/566840062.db2.gz SDWBQILMSWMIBZ-CQSZACIVSA-N 0 1 377.286 3.407 20 0 GGADMN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(Br)c1O ZINC000582215719 566840470 /nfs/dbraw/zinc/84/04/70/566840470.db2.gz GURPQZNSWOOGEY-AWEZNQCLSA-N 0 1 378.266 3.484 20 0 GGADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000490257163 566840701 /nfs/dbraw/zinc/84/07/01/566840701.db2.gz XFIWZQOAZNPWRF-ZENOOKHLSA-N 0 1 383.355 3.482 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1CCN(C(C)C)C1=O ZINC000655735085 566840930 /nfs/dbraw/zinc/84/09/30/566840930.db2.gz FCIADQQXFDKCQP-KRWDZBQOSA-N 0 1 391.313 3.042 20 0 GGADMN CN(Cc1cc(Br)ccc1Cl)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000517704211 566841192 /nfs/dbraw/zinc/84/11/92/566841192.db2.gz OUDBFOUGSLHFEI-UHFFFAOYSA-N 0 1 398.692 3.440 20 0 GGADMN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000679204813 566841639 /nfs/dbraw/zinc/84/16/39/566841639.db2.gz NZAOGXYNTHLTDT-UHFFFAOYSA-N 0 1 377.297 3.356 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000517714750 566841843 /nfs/dbraw/zinc/84/18/43/566841843.db2.gz XEXAKZBNWZFRDH-PBHICJAKSA-N 0 1 380.330 3.018 20 0 GGADMN C[C@@H](CO)N1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000470062305 566841997 /nfs/dbraw/zinc/84/19/97/566841997.db2.gz NHCRERDBZLENOG-AWEZNQCLSA-N 0 1 391.309 3.131 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000517714753 566841893 /nfs/dbraw/zinc/84/18/93/566841893.db2.gz XEXAKZBNWZFRDH-YOEHRIQHSA-N 0 1 380.330 3.018 20 0 GGADMN O[C@@H](CN[C@@H]1COCc2ccccc21)COc1cc(F)cc(Br)c1 ZINC000562996829 566842624 /nfs/dbraw/zinc/84/26/24/566842624.db2.gz HSDBEEAADVIIRC-MAUKXSAKSA-N 0 1 396.256 3.189 20 0 GGADMN C[C@@H](CO)N1CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000470065820 566843520 /nfs/dbraw/zinc/84/35/20/566843520.db2.gz JFTHKKDYPZSYCF-ZDUSSCGKSA-N 0 1 391.364 3.142 20 0 GGADMN COC1CCN(CCNC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000610571645 566844103 /nfs/dbraw/zinc/84/41/03/566844103.db2.gz NWQOXTVTAGPRNV-UHFFFAOYSA-N 0 1 391.364 3.454 20 0 GGADMN O[C@H](CN[C@H]1COCc2ccccc21)COc1cc(F)cc(Br)c1 ZINC000562996830 566844436 /nfs/dbraw/zinc/84/44/36/566844436.db2.gz HSDBEEAADVIIRC-QAPCUYQASA-N 0 1 396.256 3.189 20 0 GGADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3cncnc3C)C2=O)ccc1Br ZINC000655754859 566844531 /nfs/dbraw/zinc/84/45/31/566844531.db2.gz KPTMETXDWSBFIT-CXAGYDPISA-N 0 1 389.297 3.312 20 0 GGADMN CC(C)c1nc(CN2CCN(Cc3ccc(Br)s3)CC2)n[nH]1 ZINC000428452116 566845001 /nfs/dbraw/zinc/84/50/01/566845001.db2.gz JJXHSORWVFAPCI-UHFFFAOYSA-N 0 1 384.347 3.070 20 0 GGADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H](CO)CC(F)(F)F ZINC000655751984 566845196 /nfs/dbraw/zinc/84/51/96/566845196.db2.gz UFNDTXPOCUJYJB-CYBMUJFWSA-N 0 1 392.219 3.346 20 0 GGADMN COc1cc(Br)ccc1CCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000543024257 566845201 /nfs/dbraw/zinc/84/52/01/566845201.db2.gz WWARSCQNOVSRJU-UHFFFAOYSA-N 0 1 392.297 3.486 20 0 GGADMN CCc1nc(CNC(=O)NC2(c3ccc(Br)cc3)CCC2)n[nH]1 ZINC000563030827 566845646 /nfs/dbraw/zinc/84/56/46/566845646.db2.gz UJSFALXEAGNTJJ-UHFFFAOYSA-N 0 1 378.274 3.008 20 0 GGADMN COCCn1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)c(C)n1 ZINC000543017963 566845670 /nfs/dbraw/zinc/84/56/70/566845670.db2.gz RENYBGUIAQQCAA-UHFFFAOYSA-N 0 1 388.649 3.212 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN[C@H](CO)CC(F)(F)F ZINC000655751973 566846017 /nfs/dbraw/zinc/84/60/17/566846017.db2.gz SXNIPZMVNWOCCW-LBPRGKRZSA-N 0 1 392.219 3.346 20 0 GGADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1Cl ZINC000679293283 566846063 /nfs/dbraw/zinc/84/60/63/566846063.db2.gz MFKCXSOWEMUXMI-OCCSQVGLSA-N 0 1 377.337 3.325 20 0 GGADMN OC[C@@H]([C@@H](NCc1nnc(-c2ccccc2Br)o1)C1CC1)C1CC1 ZINC000451595520 566846432 /nfs/dbraw/zinc/84/64/32/566846432.db2.gz RWZLCSHKVAHHLA-PBHICJAKSA-N 0 1 392.297 3.386 20 0 GGADMN OC[C@H]([C@H](NCc1nc(-c2cc(Br)cs2)no1)C1CC1)C1CC1 ZINC000451597817 566846786 /nfs/dbraw/zinc/84/67/86/566846786.db2.gz DLMPDGUYAAUWET-SWLSCSKDSA-N 0 1 398.326 3.447 20 0 GGADMN COC[C@@H](NCc1cn(-c2ccccc2Br)nc1C)[C@H]1CCCO1 ZINC000655768742 566847101 /nfs/dbraw/zinc/84/71/01/566847101.db2.gz NWZSGVBNYQRNTL-SJLPKXTDSA-N 0 1 394.313 3.227 20 0 GGADMN CC(C)(CO)N1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000679317246 566847682 /nfs/dbraw/zinc/84/76/82/566847682.db2.gz UHMCLPXZJNSXMW-UHFFFAOYSA-N 0 1 389.323 3.068 20 0 GGADMN Brc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000679327899 566848056 /nfs/dbraw/zinc/84/80/56/566848056.db2.gz WQSFCNIPSSIQRO-INIZCTEOSA-N 0 1 390.325 3.294 20 0 GGADMN COC[C@H](NCc1cn(-c2ccccc2Br)nc1C)[C@H]1CCCO1 ZINC000655768741 566848143 /nfs/dbraw/zinc/84/81/43/566848143.db2.gz NWZSGVBNYQRNTL-FUHWJXTLSA-N 0 1 394.313 3.227 20 0 GGADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000490423478 566848499 /nfs/dbraw/zinc/84/84/99/566848499.db2.gz PCOJPPAGXCCXNL-LBPRGKRZSA-N 0 1 377.337 3.488 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2Br)CCN1C ZINC000563053452 566848412 /nfs/dbraw/zinc/84/84/12/566848412.db2.gz UYWQNRMVYQGPMC-MFKMUULPSA-N 0 1 395.750 3.005 20 0 GGADMN Brc1cccc2c1C[C@@H]([NH2+]Cc1nnc([C@@H]3CCCO3)[n-]1)CC2 ZINC000655796675 566849595 /nfs/dbraw/zinc/84/95/95/566849595.db2.gz IBGPMACTFZEZJD-WFASDCNBSA-N 0 1 377.286 3.066 20 0 GGADMN COc1ccc([C@@H](C)NCc2n[nH]c([C@@H]3CCCO3)n2)c(Br)c1 ZINC000655793850 566849684 /nfs/dbraw/zinc/84/96/84/566849684.db2.gz DYARWQDYKFQTKW-YGRLFVJLSA-N 0 1 381.274 3.278 20 0 GGADMN Brc1cccc2c1C[C@H]([NH2+]Cc1nnc([C@@H]3CCCO3)[n-]1)CC2 ZINC000655796672 566849958 /nfs/dbraw/zinc/84/99/58/566849958.db2.gz IBGPMACTFZEZJD-DOMZBBRYSA-N 0 1 377.286 3.066 20 0 GGADMN O=S(=O)(c1ncc[nH]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000632101893 566849973 /nfs/dbraw/zinc/84/99/73/566849973.db2.gz AHIANNGECFZQTC-UHFFFAOYSA-N 0 1 390.292 3.086 20 0 GGADMN COc1ccnc(N2CCN(C(=O)CSc3ccccc3Cl)CC2)c1 ZINC000517853258 566850525 /nfs/dbraw/zinc/85/05/25/566850525.db2.gz SIEHICVXSHXQBH-UHFFFAOYSA-N 0 1 377.897 3.185 20 0 GGADMN CC(C)N1C[C@H](N[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1=O ZINC000679355687 566851030 /nfs/dbraw/zinc/85/10/30/566851030.db2.gz OVQCHEXXWIHHQZ-JFIYKMOQSA-N 0 1 381.314 3.268 20 0 GGADMN C[C@@H](Cc1ccsc1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000543085414 566851014 /nfs/dbraw/zinc/85/10/14/566851014.db2.gz ZLTMPJYAKXEYTK-YOEHRIQHSA-N 0 1 382.526 3.261 20 0 GGADMN CSc1cc(Br)ccc1CNCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655817728 566851126 /nfs/dbraw/zinc/85/11/26/566851126.db2.gz IERQJNDWDPLQQR-LBPRGKRZSA-N 0 1 383.315 3.430 20 0 GGADMN CCOCCOc1ccc(Br)cc1NC(=O)NCc1cc(C)[nH]n1 ZINC000679353855 566851377 /nfs/dbraw/zinc/85/13/77/566851377.db2.gz MJQJSUSGJIZNEW-UHFFFAOYSA-N 0 1 397.273 3.218 20 0 GGADMN COc1ccc([C@@H](C)[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)cc1Br ZINC000655799073 566851855 /nfs/dbraw/zinc/85/18/55/566851855.db2.gz ZUWXFQHNCICGBF-QMTHXVAHSA-N 0 1 381.274 3.278 20 0 GGADMN CC(C)N1C[C@H](N[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1=O ZINC000679355690 566852003 /nfs/dbraw/zinc/85/20/03/566852003.db2.gz OVQCHEXXWIHHQZ-RYRKJORJSA-N 0 1 381.314 3.268 20 0 GGADMN Brc1c2ccccc2oc1CNCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655819882 566852159 /nfs/dbraw/zinc/85/21/59/566852159.db2.gz VKKLWXRQSRRJRE-LBPRGKRZSA-N 0 1 377.242 3.455 20 0 GGADMN Brc1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)c2ncccc12 ZINC000655816664 566852273 /nfs/dbraw/zinc/85/22/73/566852273.db2.gz AAKBYJMBAXQVPG-CQSZACIVSA-N 0 1 388.269 3.257 20 0 GGADMN OC[C@@H](CNCc1ncc(Cl)s1)Cc1ccccc1Br ZINC000428535032 566852364 /nfs/dbraw/zinc/85/23/64/566852364.db2.gz HBPVOZYYWYTCHQ-SNVBAGLBSA-N 0 1 375.719 3.500 20 0 GGADMN OC[C@H](CNCc1ncc(Cl)s1)Cc1cccc(Br)c1 ZINC000428533311 566853156 /nfs/dbraw/zinc/85/31/56/566853156.db2.gz GTRYZEQCFUGYPY-NSHDSACASA-N 0 1 375.719 3.500 20 0 GGADMN CC(C)(CO)CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000679356608 566853299 /nfs/dbraw/zinc/85/32/99/566853299.db2.gz CZYXLSNIMZDIHQ-GOSISDBHSA-N 0 1 381.925 3.441 20 0 GGADMN CN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000490454101 566853867 /nfs/dbraw/zinc/85/38/67/566853867.db2.gz OWLJMKVUTGQZHD-UHFFFAOYSA-N 0 1 386.945 3.235 20 0 GGADMN COc1cc(C)c(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1Cl ZINC000490456384 566854196 /nfs/dbraw/zinc/85/41/96/566854196.db2.gz NILRATJVRPZPJP-ZDUSSCGKSA-N 0 1 386.945 3.152 20 0 GGADMN FC1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CCOCC1 ZINC000632135793 566854380 /nfs/dbraw/zinc/85/43/80/566854380.db2.gz FSLBGVDKQVWJMB-UHFFFAOYSA-N 0 1 394.204 3.259 20 0 GGADMN CS(=O)(=O)c1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1Cl ZINC000428538871 566855024 /nfs/dbraw/zinc/85/50/24/566855024.db2.gz REDGGFSWNUQFQU-UHFFFAOYSA-N 0 1 375.881 3.219 20 0 GGADMN COc1cccc(N2C[C@H](N[C@@H](C)c3cncc(Br)c3)CC2=O)c1 ZINC000517966054 566856117 /nfs/dbraw/zinc/85/61/17/566856117.db2.gz UNEQUGRRMYNDEC-SWLSCSKDSA-N 0 1 390.281 3.309 20 0 GGADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc2c(cc1Br)OCCCO2 ZINC000563124205 566856158 /nfs/dbraw/zinc/85/61/58/566856158.db2.gz IFGTXUDZICRYDP-VXGBXAGGSA-N 0 1 384.270 3.296 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1Cl ZINC000517963526 566856234 /nfs/dbraw/zinc/85/62/34/566856234.db2.gz IWBDEJZHILEUCD-NSHDSACASA-N 0 1 381.325 3.012 20 0 GGADMN Cc1ncncc1[C@@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000517959388 566856795 /nfs/dbraw/zinc/85/67/95/566856795.db2.gz AGYXOZPMFPMTOF-CYBMUJFWSA-N 0 1 391.313 3.235 20 0 GGADMN COCCS(=O)(=O)c1ccc(CNCc2ccc(OC)c(Cl)c2)cc1 ZINC000428556351 566857521 /nfs/dbraw/zinc/85/75/21/566857521.db2.gz FIXGJKVOGKSOFY-UHFFFAOYSA-N 0 1 383.897 3.059 20 0 GGADMN COc1cc(Br)c(CN[C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000428558477 566857785 /nfs/dbraw/zinc/85/77/85/566857785.db2.gz MZKQSOKRYKXYIF-ZDUSSCGKSA-N 0 1 378.266 3.429 20 0 GGADMN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C2CCCCC2)C(F)(F)F)s1 ZINC000543167816 566858758 /nfs/dbraw/zinc/85/87/58/566858758.db2.gz WUYRAUKHESXCQF-AWEZNQCLSA-N 0 1 398.472 3.174 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc3cncc(Br)c3n2)n[nH]1 ZINC000632198660 566859692 /nfs/dbraw/zinc/85/96/92/566859692.db2.gz KLDANINBUPZKNY-SECBINFHSA-N 0 1 389.257 3.125 20 0 GGADMN O=C(CC1CCN(C(=O)c2cccc(Br)c2O)CC1)N1CCCC1 ZINC000518051612 566863108 /nfs/dbraw/zinc/86/31/08/566863108.db2.gz QOWSXSPPZZZKMG-UHFFFAOYSA-N 0 1 395.297 3.019 20 0 GGADMN Brc1cccc(-c2n[nH]c(-c3noc(Cc4cncs4)n3)n2)c1 ZINC000582446913 566863124 /nfs/dbraw/zinc/86/31/24/566863124.db2.gz LKVOXUXAULXKKW-UHFFFAOYSA-N 0 1 389.238 3.332 20 0 GGADMN CCN(CC)[C@H](C(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000582440815 566863624 /nfs/dbraw/zinc/86/36/24/566863624.db2.gz DJBIKDBUCHOTLN-KRWDZBQOSA-N 0 1 393.329 3.235 20 0 GGADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000582447671 566863791 /nfs/dbraw/zinc/86/37/91/566863791.db2.gz XSTNJUTZEDEDJO-BTJFUOOYSA-N 0 1 379.291 3.429 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451691983 566863756 /nfs/dbraw/zinc/86/37/56/566863756.db2.gz DDDBVJKKBHRMSP-WBOJAVRRSA-N 0 1 381.314 3.259 20 0 GGADMN CCN(CC)[C@@H](C(=O)NCCCn1cc(Br)cn1)c1ccccc1 ZINC000582440816 566863982 /nfs/dbraw/zinc/86/39/82/566863982.db2.gz DJBIKDBUCHOTLN-QGZVFWFLSA-N 0 1 393.329 3.235 20 0 GGADMN COCCN1CC[C@H](NC(=O)c2ccccc2SCc2cccs2)C1 ZINC000518077027 566864431 /nfs/dbraw/zinc/86/44/31/566864431.db2.gz ISUGHELIWIUFRH-HNNXBMFYSA-N 0 1 376.547 3.491 20 0 GGADMN Cn1c2cc(Br)ccc2nc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451701549 566865122 /nfs/dbraw/zinc/86/51/22/566865122.db2.gz QWJJDFBAIOTVAM-UMVBOHGHSA-N 0 1 378.314 3.319 20 0 GGADMN Cc1cc(Br)cn2c(CNC(C)(C)C(=O)NCC(C)(C)C)cnc12 ZINC000543242016 566865109 /nfs/dbraw/zinc/86/51/09/566865109.db2.gz VHTGUNOCMFKSAB-UHFFFAOYSA-N 0 1 395.345 3.436 20 0 GGADMN Cn1c2cc(Br)ccc2nc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451701548 566865530 /nfs/dbraw/zinc/86/55/30/566865530.db2.gz QWJJDFBAIOTVAM-NFAWXSAZSA-N 0 1 378.314 3.319 20 0 GGADMN Cn1c2cc(Br)ccc2nc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451701546 566865560 /nfs/dbraw/zinc/86/55/60/566865560.db2.gz QWJJDFBAIOTVAM-IPYPFGDCSA-N 0 1 378.314 3.319 20 0 GGADMN CC[C@H](Cc1ccccc1Br)NC(=O)CN(C)[C@H]1CCSC1 ZINC000490582329 566866040 /nfs/dbraw/zinc/86/60/40/566866040.db2.gz GZQOJBLHVRRXJZ-CABCVRRESA-N 0 1 385.371 3.324 20 0 GGADMN Cc1cc(CN[C@@H]2CCCOc3ccc(I)cc32)n[nH]1 ZINC000610821167 566866490 /nfs/dbraw/zinc/86/64/90/566866490.db2.gz RQLHQAACDYTQFP-CQSZACIVSA-N 0 1 383.233 3.326 20 0 GGADMN Cc1cc(CN[C@@H]2CCCOc3ccc(I)cc32)[nH]n1 ZINC000610821167 566866498 /nfs/dbraw/zinc/86/64/98/566866498.db2.gz RQLHQAACDYTQFP-CQSZACIVSA-N 0 1 383.233 3.326 20 0 GGADMN Cc1cc(I)cc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000490571071 566866573 /nfs/dbraw/zinc/86/65/73/566866573.db2.gz UOVRGFCJHSHUMG-UHFFFAOYSA-N 0 1 399.276 3.159 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@H]2c2ccccc2Br)n[nH]1 ZINC000656046219 566866962 /nfs/dbraw/zinc/86/69/62/566866962.db2.gz OPARQOJNVPYFHP-ZDUSSCGKSA-N 0 1 378.274 3.176 20 0 GGADMN CC1(C)CCN(CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000582495710 566867426 /nfs/dbraw/zinc/86/74/26/566867426.db2.gz QZCYSXYGRJMBPA-OAHLLOKOSA-N 0 1 394.357 3.124 20 0 GGADMN CO[C@H](c1noc(CCCCc2cn[nH]n2)n1)c1ccccc1Br ZINC000656053880 566868689 /nfs/dbraw/zinc/86/86/89/566868689.db2.gz YAYGQTZZNJIGCZ-HNNXBMFYSA-N 0 1 392.257 3.251 20 0 GGADMN O[C@@H]1CC[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@H]2C1 ZINC000451720260 566868847 /nfs/dbraw/zinc/86/88/47/566868847.db2.gz XYWTYXMYYQMMKD-MELADBBJSA-N 0 1 392.297 3.482 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000490604424 566869025 /nfs/dbraw/zinc/86/90/25/566869025.db2.gz HRFAFJWRVKFLHM-UHFFFAOYSA-N 0 1 385.302 3.360 20 0 GGADMN CC(C)(C)Oc1nc(=NCc2cn3ccsc3n2)[nH]cc1Br ZINC000582503658 566869132 /nfs/dbraw/zinc/86/91/32/566869132.db2.gz NNRHUKMKOKKRNV-UHFFFAOYSA-N 0 1 382.287 3.160 20 0 GGADMN CN(CC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCSC1 ZINC000490608331 566869494 /nfs/dbraw/zinc/86/94/94/566869494.db2.gz MZOQZSKSBIITMD-GXTWGEPZSA-N 0 1 389.348 3.410 20 0 GGADMN CC[C@H]1CN(CC)CCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000451723769 566869607 /nfs/dbraw/zinc/86/96/07/566869607.db2.gz BLXNQGCIUMEQSU-YOEHRIQHSA-N 0 1 382.346 3.042 20 0 GGADMN CC[C@@H]1CN(CC)CCN1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000451728387 566870147 /nfs/dbraw/zinc/87/01/47/566870147.db2.gz GEXLHRRFAVPHSK-GFCCVEGCSA-N 0 1 390.272 3.082 20 0 GGADMN CC(C)c1nc(CNC(=O)N2CCc3c(F)cc(Br)cc3C2)n[nH]1 ZINC000656118479 566871431 /nfs/dbraw/zinc/87/14/31/566871431.db2.gz NSMFDXKOGZSBGI-UHFFFAOYSA-N 0 1 396.264 3.098 20 0 GGADMN CCOC1(C)CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000428706446 566872151 /nfs/dbraw/zinc/87/21/51/566872151.db2.gz DPWAPNDUZLJIJE-INIZCTEOSA-N 0 1 381.314 3.445 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2cc(Cl)sc2Cl)CCN1C[C@@H](C)O ZINC000543334087 566872489 /nfs/dbraw/zinc/87/24/89/566872489.db2.gz BLCDMYZUCIUNKF-PWSUYJOCSA-N 0 1 380.341 3.042 20 0 GGADMN CCOC(=O)CC(C)(C)N(C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000490632912 566872418 /nfs/dbraw/zinc/87/24/18/566872418.db2.gz ZNUPPFDBIYPYTF-UHFFFAOYSA-N 0 1 389.323 3.316 20 0 GGADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000563288623 566872624 /nfs/dbraw/zinc/87/26/24/566872624.db2.gz IKTFYXCEZFICOM-CXAGYDPISA-N 0 1 376.280 3.166 20 0 GGADMN Cc1nnc([C@H](C)[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)s1 ZINC000563288533 566872865 /nfs/dbraw/zinc/87/28/65/566872865.db2.gz HLDNVCYQQDHAGL-QCZZGDTMSA-N 0 1 396.310 3.470 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2sccc2Br)CC1 ZINC000428738730 566874555 /nfs/dbraw/zinc/87/45/55/566874555.db2.gz FWLOZNXRSQCCLV-DOMZBBRYSA-N 0 1 388.327 3.301 20 0 GGADMN Cn1ccnc1[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554153 566874695 /nfs/dbraw/zinc/87/46/95/566874695.db2.gz DUZBRTMDECGDLP-WBMJQRKESA-N 0 1 379.291 3.322 20 0 GGADMN COc1ccccc1[C@@H](CO)NC[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000679825301 566874776 /nfs/dbraw/zinc/87/47/76/566874776.db2.gz BNSMZGGYSMMANI-YVEFUNNKSA-N 0 1 386.275 3.065 20 0 GGADMN C[C@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCC1 ZINC000582558095 566874793 /nfs/dbraw/zinc/87/47/93/566874793.db2.gz JOSBOQFKZDQAIB-SNVBAGLBSA-N 0 1 380.293 3.095 20 0 GGADMN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1Br ZINC000518309280 566875031 /nfs/dbraw/zinc/87/50/31/566875031.db2.gz MOGCFMBHFIZKCH-AWEZNQCLSA-N 0 1 391.313 3.300 20 0 GGADMN CN(C)[C@H](CNC(=O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000518305982 566875393 /nfs/dbraw/zinc/87/53/93/566875393.db2.gz YOLZCYCOQURXBO-QGZVFWFLSA-N 0 1 395.272 3.386 20 0 GGADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000428763664 566875783 /nfs/dbraw/zinc/87/57/83/566875783.db2.gz ZWRJTVMTXCLYHE-SJORKVTESA-N 0 1 382.298 3.239 20 0 GGADMN C[C@@H](C(=O)Nc1ncccn1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000518292131 566875843 /nfs/dbraw/zinc/87/58/43/566875843.db2.gz QSVDHAATLJIBCA-ZFWWWQNUSA-N 0 1 389.297 3.131 20 0 GGADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 ZINC000428770580 566875971 /nfs/dbraw/zinc/87/59/71/566875971.db2.gz GIPFKOCLFMFCOT-BZNIZROVSA-N 0 1 381.245 3.238 20 0 GGADMN O=C(Cn1cc(Br)cn1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000518289308 566876033 /nfs/dbraw/zinc/87/60/33/566876033.db2.gz VJGUULXNFPZQHM-UHFFFAOYSA-N 0 1 386.209 3.421 20 0 GGADMN O=C1[C@@H](N[C@@H](CO)c2ccc(Br)cc2)CCCN1c1ccccc1 ZINC000428771035 566876234 /nfs/dbraw/zinc/87/62/34/566876234.db2.gz GYOFVELHNXEXPB-ROUUACIJSA-N 0 1 389.293 3.268 20 0 GGADMN CC(C)(C)CN1CCC[C@@H](N[C@@H](CO)c2ccc(Br)cc2)C1=O ZINC000428773962 566876385 /nfs/dbraw/zinc/87/63/85/566876385.db2.gz SRPYPKSDMCQSKO-CVEARBPZSA-N 0 1 383.330 3.109 20 0 GGADMN CC(C)c1nc([C@@H]2CCCCN2S(=O)(=O)C[C@@H]2CCC(F)(F)C2)n[nH]1 ZINC000632341628 566877342 /nfs/dbraw/zinc/87/73/42/566877342.db2.gz PVMAZVNUBUEWKT-OLZOCXBDSA-N 0 1 376.473 3.220 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(cnn3C(F)F)c2)cs1 ZINC000610954765 566877582 /nfs/dbraw/zinc/87/75/82/566877582.db2.gz IMHZLIFCAOYBFH-UHFFFAOYSA-N 0 1 387.389 3.080 20 0 GGADMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000518312738 566877581 /nfs/dbraw/zinc/87/75/81/566877581.db2.gz ZVLTXEFOTRYSDP-ZDUSSCGKSA-N 0 1 380.857 3.429 20 0 GGADMN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000518312737 566877755 /nfs/dbraw/zinc/87/77/55/566877755.db2.gz ZVLTXEFOTRYSDP-CYBMUJFWSA-N 0 1 380.857 3.429 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N1CCc2ccccc21 ZINC000428788286 566877805 /nfs/dbraw/zinc/87/78/05/566877805.db2.gz RPAZPODDRLLCOY-GUYCJALGSA-N 0 1 389.293 3.050 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000428785066 566878075 /nfs/dbraw/zinc/87/80/75/566878075.db2.gz UIZQLFRKIMWFEP-AYMQEEERSA-N 0 1 383.330 3.250 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000428801769 566878452 /nfs/dbraw/zinc/87/84/52/566878452.db2.gz GAIHMXKAZLNBBR-OSRSDYAFSA-N 0 1 383.330 3.156 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1Br ZINC000470491501 566878739 /nfs/dbraw/zinc/87/87/39/566878739.db2.gz GUQRPXGYPPSBCM-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN CCOCCOc1ccc(Br)cc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000543411164 566879149 /nfs/dbraw/zinc/87/91/49/566879149.db2.gz JAQHIKJLKIDVAK-JQFCIGGWSA-N 0 1 384.314 3.067 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000470513485 566879672 /nfs/dbraw/zinc/87/96/72/566879672.db2.gz PUDVIFKBNXXTKN-HNNXBMFYSA-N 0 1 382.957 3.285 20 0 GGADMN CC1(C)CCN(CC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000563375473 566880007 /nfs/dbraw/zinc/88/00/07/566880007.db2.gz CWIUPVBATSWCBQ-INIZCTEOSA-N 0 1 381.314 3.081 20 0 GGADMN CC1(C)CCN(CC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000563375474 566880138 /nfs/dbraw/zinc/88/01/38/566880138.db2.gz CWIUPVBATSWCBQ-MRXNPFEDSA-N 0 1 381.314 3.081 20 0 GGADMN C[C@H]1COCCN1C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000563366049 566880573 /nfs/dbraw/zinc/88/05/73/566880573.db2.gz WUWLZHDBQFDZMJ-ZDUSSCGKSA-N 0 1 394.313 3.275 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000632407794 566880474 /nfs/dbraw/zinc/88/04/74/566880474.db2.gz HBOUXHJBMFDGLX-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000428802992 566880886 /nfs/dbraw/zinc/88/08/86/566880886.db2.gz HXROLEUHTHTUGT-GUYCJALGSA-N 0 1 377.282 3.408 20 0 GGADMN C[C@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000428802472 566881259 /nfs/dbraw/zinc/88/12/59/566881259.db2.gz JRWCCODSAPAXKK-LGEZUQEUSA-N 0 1 397.357 3.402 20 0 GGADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)N(C)C1CCCCC1 ZINC000428806539 566881425 /nfs/dbraw/zinc/88/14/25/566881425.db2.gz YLSCVAGESOUMRD-GUYCJALGSA-N 0 1 383.330 3.252 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000632407913 566881548 /nfs/dbraw/zinc/88/15/48/566881548.db2.gz KWYRJHCRJFEGMK-UHFFFAOYSA-N 0 1 385.580 3.285 20 0 GGADMN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1cc2c(c(Br)c1)OCO2 ZINC000563402208 566881741 /nfs/dbraw/zinc/88/17/41/566881741.db2.gz IQPSJTBHLHIJNX-UHFFFAOYSA-N 0 1 392.249 3.307 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000470535433 566881919 /nfs/dbraw/zinc/88/19/19/566881919.db2.gz CJMRJYRGWHNDLI-UWVGGRQHSA-N 0 1 380.242 3.243 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000470535432 566881977 /nfs/dbraw/zinc/88/19/77/566881977.db2.gz CJMRJYRGWHNDLI-NXEZZACHSA-N 0 1 380.242 3.243 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccccc1I ZINC000543448098 566882135 /nfs/dbraw/zinc/88/21/35/566882135.db2.gz RLMHAPPYFNRDJH-UHFFFAOYSA-N 0 1 390.184 3.329 20 0 GGADMN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000470535434 566882236 /nfs/dbraw/zinc/88/22/36/566882236.db2.gz CJMRJYRGWHNDLI-VHSXEESVSA-N 0 1 380.242 3.243 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)CN(C)[C@H](CO)CC(C)(C)C ZINC000451785983 566882785 /nfs/dbraw/zinc/88/27/85/566882785.db2.gz WFJQHUIDYIIUFU-ZDUSSCGKSA-N 0 1 391.375 3.198 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000632408660 566882952 /nfs/dbraw/zinc/88/29/52/566882952.db2.gz PVWUSQFUZVAYMZ-UHFFFAOYSA-N 0 1 382.860 3.046 20 0 GGADMN Cc1ccncc1[C@H](C)NCC(=O)N(C)Cc1ccccc1Br ZINC000679946680 566883167 /nfs/dbraw/zinc/88/31/67/566883167.db2.gz XWWCDQKLDDWARX-AWEZNQCLSA-N 0 1 376.298 3.462 20 0 GGADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000632408638 566883365 /nfs/dbraw/zinc/88/33/65/566883365.db2.gz PFNAHZMMSMLRJJ-UHFFFAOYSA-N 0 1 384.851 3.464 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000563442098 566883343 /nfs/dbraw/zinc/88/33/43/566883343.db2.gz NZDDDZZNXZISRJ-VXGBXAGGSA-N 0 1 382.917 3.335 20 0 GGADMN O=C(CNCc1csc2c1cccc2Br)NCC(F)(F)F ZINC000563440560 566883839 /nfs/dbraw/zinc/88/38/39/566883839.db2.gz MIJAZGULKATFKE-UHFFFAOYSA-N 0 1 381.217 3.432 20 0 GGADMN CCN1CCCC[C@@H]1CNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000518447074 566884204 /nfs/dbraw/zinc/88/42/04/566884204.db2.gz ONMSSFOOKLMSRO-MRXNPFEDSA-N 0 1 393.325 3.040 20 0 GGADMN O=S(=O)(NCCNCc1ccc(C(F)(F)F)s1)c1cccc(Cl)c1 ZINC000428845764 566884467 /nfs/dbraw/zinc/88/44/67/566884467.db2.gz MXRHRRGVSMTCCZ-UHFFFAOYSA-N 0 1 398.859 3.488 20 0 GGADMN CC1(C)C[C@@H](O)CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000451809508 566885423 /nfs/dbraw/zinc/88/54/23/566885423.db2.gz MPAPVLXGDDWPPD-HOTGVXAUSA-N 0 1 381.314 3.037 20 0 GGADMN CC1(C)C[C@@H](O)CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000451809511 566885577 /nfs/dbraw/zinc/88/55/77/566885577.db2.gz MPAPVLXGDDWPPD-JKSUJKDBSA-N 0 1 381.314 3.037 20 0 GGADMN CC1(C)C[C@H](O)CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000451809509 566885813 /nfs/dbraw/zinc/88/58/13/566885813.db2.gz MPAPVLXGDDWPPD-HZPDHXFCSA-N 0 1 381.314 3.037 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000428864207 566886547 /nfs/dbraw/zinc/88/65/47/566886547.db2.gz SLLVILACGOWVTO-UHFFFAOYSA-N 0 1 378.441 3.307 20 0 GGADMN C[C@H](c1ccccc1)[C@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)C(N)=O ZINC000428873621 566886706 /nfs/dbraw/zinc/88/67/06/566886706.db2.gz VKEIJLWMNXOFQS-SHIURHCVSA-N 0 1 399.343 3.348 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)NCc1ccc(Br)cc1 ZINC000518519805 566887264 /nfs/dbraw/zinc/88/72/64/566887264.db2.gz FDIJDZYNJWPZBU-UHFFFAOYSA-N 0 1 388.309 3.307 20 0 GGADMN COCC[C@@H](NC[C@H](O)COc1cccc(Br)c1)c1ccc(C)o1 ZINC000543509496 566887360 /nfs/dbraw/zinc/88/73/60/566887360.db2.gz FALVENLURYTMRA-DOTOQJQBSA-N 0 1 398.297 3.458 20 0 GGADMN CCOc1cc(Br)c(NC(=O)N2CC(N(C)C)C2)cc1OCC ZINC000543564581 566888803 /nfs/dbraw/zinc/88/88/03/566888803.db2.gz XAIIIPGJFKZSRN-UHFFFAOYSA-N 0 1 386.290 3.024 20 0 GGADMN Cc1nn(-c2ccccc2Br)cc1CN1CCC(CC(N)=O)CC1 ZINC000656250406 566888785 /nfs/dbraw/zinc/88/87/85/566888785.db2.gz PWECWZXXERMRIR-UHFFFAOYSA-N 0 1 391.313 3.031 20 0 GGADMN C[C@H](NCCCN1CCCC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000543548333 566889339 /nfs/dbraw/zinc/88/93/39/566889339.db2.gz IZQWBNPQNQJCOR-LBPRGKRZSA-N 0 1 393.285 3.162 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000563494303 566889427 /nfs/dbraw/zinc/88/94/27/566889427.db2.gz RNWDYHXSIJUMTH-JGVFFNPUSA-N 0 1 393.332 3.182 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@](C)(N)c1ccc(Br)cc1)CO2 ZINC000518529283 566889660 /nfs/dbraw/zinc/88/96/60/566889660.db2.gz GQXICXUULORTOE-YJBOKZPZSA-N 0 1 375.266 3.181 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000582724623 566889894 /nfs/dbraw/zinc/88/98/94/566889894.db2.gz HMIPDQPJKCVXCR-ZDUSSCGKSA-N 0 1 385.302 3.071 20 0 GGADMN CC(C)N(CCCS(=O)(=O)N(C)C)Cc1cc(Br)ccc1F ZINC000491027656 566890408 /nfs/dbraw/zinc/89/04/08/566890408.db2.gz LJEUUEMXPSITQO-UHFFFAOYSA-N 0 1 395.338 3.080 20 0 GGADMN Cc1nc([C@H](C)NC(=O)NCC(C)(C)c2cccc(Br)c2)n[nH]1 ZINC000491043186 566890774 /nfs/dbraw/zinc/89/07/74/566890774.db2.gz ZTHZLKFHTNTAMH-JTQLQIEISA-N 0 1 380.290 3.214 20 0 GGADMN CC(=O)NC1CCN(Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656251684 566890808 /nfs/dbraw/zinc/89/08/08/566890808.db2.gz MJPJLDDNRTYETG-UHFFFAOYSA-N 0 1 391.313 3.044 20 0 GGADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)s1 ZINC000680090182 566891125 /nfs/dbraw/zinc/89/11/25/566891125.db2.gz LDOHGKBYVZMRKV-OTYXRUKQSA-N 0 1 398.472 3.345 20 0 GGADMN Brc1cc2c(cc1CN1CCC([C@@H]3CCOC3)CC1)OCCO2 ZINC000680091605 566891424 /nfs/dbraw/zinc/89/14/24/566891424.db2.gz UZPAJUBRPYTCBB-CQSZACIVSA-N 0 1 382.298 3.469 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000582748242 566891358 /nfs/dbraw/zinc/89/13/58/566891358.db2.gz ZGLOGYRUZUATNQ-KXBFYZLASA-N 0 1 378.925 3.280 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000582748241 566891791 /nfs/dbraw/zinc/89/17/91/566891791.db2.gz ZGLOGYRUZUATNQ-HNAYVOBHSA-N 0 1 378.925 3.280 20 0 GGADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1[O-] ZINC000518574168 566891882 /nfs/dbraw/zinc/89/18/82/566891882.db2.gz RHAPVNVUBNGTEF-CQSZACIVSA-N 0 1 375.266 3.159 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)c(F)c1 ZINC000680094496 566891947 /nfs/dbraw/zinc/89/19/47/566891947.db2.gz LHMYQDNYNYOYEU-CQSZACIVSA-N 0 1 382.379 3.184 20 0 GGADMN C[C@@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C)c1c(Cl)cccc1Cl ZINC000491065221 566891973 /nfs/dbraw/zinc/89/19/73/566891973.db2.gz JZAMFFBFAXDHKZ-MJBXVCDLSA-N 0 1 388.339 3.193 20 0 GGADMN COCCO[C@@H]1CCN(Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000656259099 566892504 /nfs/dbraw/zinc/89/25/04/566892504.db2.gz ZVGYCKMXXAJSMC-GOSISDBHSA-N 0 1 394.313 3.181 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(Cc3cnc4c(C)cc(Br)cn34)C2)n1 ZINC000543621012 566893003 /nfs/dbraw/zinc/89/30/03/566893003.db2.gz BIHJUFTVMSYGIZ-CYBMUJFWSA-N 0 1 389.301 3.211 20 0 GGADMN Cc1nnc([C@@H]2CCCN(Cc3cnc4c(C)cc(Br)cn34)C2)[nH]1 ZINC000543621012 566893014 /nfs/dbraw/zinc/89/30/14/566893014.db2.gz BIHJUFTVMSYGIZ-CYBMUJFWSA-N 0 1 389.301 3.211 20 0 GGADMN CC(C)c1nc(CN[C@H](C)c2ccc(Br)cc2OCCCO)n[nH]1 ZINC000428953584 566893561 /nfs/dbraw/zinc/89/35/61/566893561.db2.gz OYSAJQDWZWBQSK-GFCCVEGCSA-N 0 1 397.317 3.303 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C1 ZINC000543635534 566894257 /nfs/dbraw/zinc/89/42/57/566894257.db2.gz HGWYMASMNBYKME-UHFFFAOYSA-N 0 1 395.326 3.274 20 0 GGADMN COCCOc1c(Cl)cc(S(=O)(=O)Nc2cncc(F)c2)cc1Cl ZINC000563564101 566895015 /nfs/dbraw/zinc/89/50/15/566895015.db2.gz INLRRPXTILRVBK-UHFFFAOYSA-N 0 1 395.239 3.354 20 0 GGADMN Cc1cc(Br)cn2c(CN[C@]3(CO)CCc4ccccc43)cnc12 ZINC000680132758 566895988 /nfs/dbraw/zinc/89/59/88/566895988.db2.gz VJIFHFDKQTWXDM-IBGZPJMESA-N 0 1 386.293 3.329 20 0 GGADMN OCc1ccc(CCNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000680133252 566896002 /nfs/dbraw/zinc/89/60/02/566896002.db2.gz HLOZNILTZQAERM-UHFFFAOYSA-N 0 1 377.275 3.399 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC[C@]2(CCOC2)C1 ZINC000656276056 566897229 /nfs/dbraw/zinc/89/72/29/566897229.db2.gz YMXDJICMDUPABT-KRWDZBQOSA-N 0 1 393.285 3.038 20 0 GGADMN O=[S@@](CCN[C@H](CO)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000429012311 566898064 /nfs/dbraw/zinc/89/80/64/566898064.db2.gz UAVGORXHDHMTCY-ZHRRBRCNSA-N 0 1 386.286 3.019 20 0 GGADMN C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000470726880 566899007 /nfs/dbraw/zinc/89/90/07/566899007.db2.gz PLBRQEVTKMBNHZ-ZIAGYGMSSA-N 0 1 389.323 3.187 20 0 GGADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000611216992 566900549 /nfs/dbraw/zinc/90/05/49/566900549.db2.gz CAHRMLCEJSQDSO-LBPRGKRZSA-N 0 1 377.853 3.100 20 0 GGADMN CN(Cc1cc(Br)cs1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000656373244 566901139 /nfs/dbraw/zinc/90/11/39/566901139.db2.gz RVNFFBNKNOEWMG-UHFFFAOYSA-N 0 1 386.319 3.268 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)N2Cc3cccc(Br)c3C2)n[nH]1 ZINC000656372567 566901218 /nfs/dbraw/zinc/90/12/18/566901218.db2.gz GWZGSYUEVKTHNY-UHFFFAOYSA-N 0 1 378.274 3.090 20 0 GGADMN C[C@@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)C(C)(F)F ZINC000563634063 566901604 /nfs/dbraw/zinc/90/16/04/566901604.db2.gz CLXWNOLTXHGXKA-NSHDSACASA-N 0 1 390.272 3.431 20 0 GGADMN CCn1cc([C@@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)cn1 ZINC000451897897 566902498 /nfs/dbraw/zinc/90/24/98/566902498.db2.gz UOASMXJMPAXUNC-LLVKDONJSA-N 0 1 385.331 3.036 20 0 GGADMN C[C@@](CO)(NC[C@H](O)COc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451888994 566902907 /nfs/dbraw/zinc/90/29/07/566902907.db2.gz LSWOZVCCSCILTA-WMZOPIPTSA-N 0 1 388.266 3.370 20 0 GGADMN CCN1CCC[C@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000491334675 566903075 /nfs/dbraw/zinc/90/30/75/566903075.db2.gz OWGDZFBHVDYRMI-ZDUSSCGKSA-N 0 1 395.750 3.006 20 0 GGADMN C[C@@](CO)(NC[C@@H](O)COc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451888987 566903318 /nfs/dbraw/zinc/90/33/18/566903318.db2.gz LSWOZVCCSCILTA-AEFFLSMTSA-N 0 1 388.266 3.370 20 0 GGADMN C[C@H]1CN(CCN[C@H](c2ccco2)c2ccc(Br)cc2)CCO1 ZINC000543709351 566903438 /nfs/dbraw/zinc/90/34/38/566903438.db2.gz UPBUGRBODYIKSC-KSSFIOAISA-N 0 1 379.298 3.442 20 0 GGADMN C[C@@H]1CN(CCN[C@H](c2ccco2)c2ccc(Br)cc2)CCO1 ZINC000543709349 566904169 /nfs/dbraw/zinc/90/41/69/566904169.db2.gz UPBUGRBODYIKSC-KDOFPFPSSA-N 0 1 379.298 3.442 20 0 GGADMN C[C@@H]1CN(CCN[C@@H](c2ccco2)c2ccc(Br)cc2)CCO1 ZINC000543709353 566904218 /nfs/dbraw/zinc/90/42/18/566904218.db2.gz UPBUGRBODYIKSC-RDTXWAMCSA-N 0 1 379.298 3.442 20 0 GGADMN CC(C)(N)c1nocc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000582916305 566905363 /nfs/dbraw/zinc/90/53/63/566905363.db2.gz WXJZOOUUSREEHZ-CQSZACIVSA-N 0 1 384.263 3.389 20 0 GGADMN CC[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCO1 ZINC000543716598 566905476 /nfs/dbraw/zinc/90/54/76/566905476.db2.gz RVTQJEKJTRNWMP-QWRGUYRKSA-N 0 1 379.258 3.378 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c1 ZINC000563656566 566905610 /nfs/dbraw/zinc/90/56/10/566905610.db2.gz LXWXQOZBZYUZFF-UHFFFAOYSA-N 0 1 381.837 3.252 20 0 GGADMN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCO1 ZINC000543716596 566906042 /nfs/dbraw/zinc/90/60/42/566906042.db2.gz RVTQJEKJTRNWMP-GHMZBOCLSA-N 0 1 379.258 3.378 20 0 GGADMN O=S(=O)(Cc1ccc(F)cc1F)NC[C@H](c1cccs1)N1CCCC1 ZINC000543726238 566906399 /nfs/dbraw/zinc/90/63/99/566906399.db2.gz ZUZWSTWHMOVTPS-MRXNPFEDSA-N 0 1 386.489 3.283 20 0 GGADMN C[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CCC1 ZINC000611306426 566909029 /nfs/dbraw/zinc/90/90/29/566909029.db2.gz IYGAWHUXBNMXQP-SECBINFHSA-N 0 1 396.228 3.051 20 0 GGADMN CS(=O)(=O)CCCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680432704 566909704 /nfs/dbraw/zinc/90/97/04/566909704.db2.gz KCZGXDRJVALAKU-GFCCVEGCSA-N 0 1 388.249 3.467 20 0 GGADMN CCCSc1nc(=NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s[n-]1 ZINC000543767401 566909850 /nfs/dbraw/zinc/90/98/50/566909850.db2.gz HCBXGSZDCNTTET-QWHCGFSZSA-N 0 1 383.587 3.237 20 0 GGADMN C[C@H](NCC(=O)NCCc1ccc(Cl)cc1)[C@H]1OCCc2sccc21 ZINC000429157984 566910722 /nfs/dbraw/zinc/91/07/22/566910722.db2.gz OIYDPBNTDQGNTG-ORAYPTAESA-N 0 1 378.925 3.352 20 0 GGADMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000491585454 566910790 /nfs/dbraw/zinc/91/07/90/566910790.db2.gz DAKFFTGBWSEZRQ-INIZCTEOSA-N 0 1 386.945 3.234 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000491586361 566910902 /nfs/dbraw/zinc/91/09/02/566910902.db2.gz MQQZXOVWSPYMEB-LBPRGKRZSA-N 0 1 379.791 3.438 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1 ZINC000611373774 566913158 /nfs/dbraw/zinc/91/31/58/566913158.db2.gz DDLIGUHSTVEHKJ-UHFFFAOYSA-N 0 1 385.532 3.391 20 0 GGADMN OCC[C@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1Br ZINC000543808499 566913459 /nfs/dbraw/zinc/91/34/59/566913459.db2.gz TZYCNJKOVIPBTE-APWZRJJASA-N 0 1 394.309 3.040 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[C@@H]1CCCc2cn[nH]c21 ZINC000583001467 566913886 /nfs/dbraw/zinc/91/38/86/566913886.db2.gz QBBYRFIMEYVHQD-NWANDNLSSA-N 0 1 375.270 3.405 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F)s1 ZINC000680504796 566914078 /nfs/dbraw/zinc/91/40/78/566914078.db2.gz XHVBCXFUSGNYJC-SECBINFHSA-N 0 1 387.449 3.055 20 0 GGADMN COc1ccsc1S(=O)(=O)Nc1cc(C[S@@](C)=O)ccc1Cl ZINC000519007097 566914513 /nfs/dbraw/zinc/91/45/13/566914513.db2.gz FPEFWEPXJPAZQI-OAQYLSRUSA-N 0 1 379.912 3.089 20 0 GGADMN CN(CC1CCCCC1)C(=O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000543838360 566915189 /nfs/dbraw/zinc/91/51/89/566915189.db2.gz HFPCMAAXUKJCRL-QGZVFWFLSA-N 0 1 383.330 3.111 20 0 GGADMN CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H](C2CCCCC2)C(F)(F)F)s1 ZINC000680504837 566915216 /nfs/dbraw/zinc/91/52/16/566915216.db2.gz XRGHORHSSCUISD-LLVKDONJSA-N 0 1 399.460 3.199 20 0 GGADMN COc1ccsc1S(=O)(=O)Nc1cc(C[S@](C)=O)ccc1Cl ZINC000519007096 566915337 /nfs/dbraw/zinc/91/53/37/566915337.db2.gz FPEFWEPXJPAZQI-NRFANRHFSA-N 0 1 379.912 3.089 20 0 GGADMN COc1ccccc1O[C@@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000583030600 566915578 /nfs/dbraw/zinc/91/55/78/566915578.db2.gz LGJRFNFGNHKHEO-JTQLQIEISA-N 0 1 391.823 3.373 20 0 GGADMN CC[C@@H](NCc1ccnc(N(C)C)n1)c1ccc(I)cc1 ZINC000611439288 566916228 /nfs/dbraw/zinc/91/62/28/566916228.db2.gz RXGITMHYJKKTHU-OAHLLOKOSA-N 0 1 396.276 3.388 20 0 GGADMN O=C(CCc1c[nH]nn1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000632803682 566916384 /nfs/dbraw/zinc/91/63/84/566916384.db2.gz HLIFLNAKDWABGX-UHFFFAOYSA-N 0 1 379.136 3.037 20 0 GGADMN O=C(CCc1cnn[nH]1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000632803682 566916388 /nfs/dbraw/zinc/91/63/88/566916388.db2.gz HLIFLNAKDWABGX-UHFFFAOYSA-N 0 1 379.136 3.037 20 0 GGADMN CC(C)OC[C@@H](CO)N(C)Cc1cc(Br)cc(Br)c1 ZINC000583052158 566916713 /nfs/dbraw/zinc/91/67/13/566916713.db2.gz VQPWFTPIJZOSMN-CQSZACIVSA-N 0 1 395.135 3.429 20 0 GGADMN CC(C)N1CC[C@@H](NCc2cc(Br)cc(Br)c2)C1=O ZINC000519025315 566916950 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1 376.617 3.114 20 0 GGADMN CCSc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000471108600 566928859 /nfs/dbraw/zinc/92/88/59/566928859.db2.gz PDAJQQHBJUFOKS-UHFFFAOYSA-N 0 1 389.495 3.142 20 0 GGADMN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000471115875 566928905 /nfs/dbraw/zinc/92/89/05/566928905.db2.gz KJDHSMWDCDCJQX-UHFFFAOYSA-N 0 1 382.800 3.433 20 0 GGADMN NC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000680748734 566929928 /nfs/dbraw/zinc/92/99/28/566929928.db2.gz FCRRMTXYOBYAMK-UHFFFAOYSA-N 0 1 385.221 3.190 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cncc(Br)c2)c1 ZINC000583213951 566930153 /nfs/dbraw/zinc/93/01/53/566930153.db2.gz ACANCMNFQQTTNB-NWDGAFQWSA-N 0 1 398.326 3.164 20 0 GGADMN CCc1ccc(CNC(=O)CN[C@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452062564 566930178 /nfs/dbraw/zinc/93/01/78/566930178.db2.gz SXPWYCSRIHVKNC-GOSISDBHSA-N 0 1 378.563 3.482 20 0 GGADMN Cc1nccc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c1Cl ZINC000492227128 566930911 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CC(=O)Nc1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492308095 566932656 /nfs/dbraw/zinc/93/26/56/566932656.db2.gz AMNATDIZQYXBBA-QGZVFWFLSA-N 0 1 381.245 3.370 20 0 GGADMN CS[C@H](CNS(=O)(=O)c1nc(C)c(Br)s1)C(C)(C)C ZINC000544105035 566938758 /nfs/dbraw/zinc/93/87/58/566938758.db2.gz TWBBAUXONWQVOE-MRVPVSSYSA-N 0 1 387.390 3.270 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000519311890 566932951 /nfs/dbraw/zinc/93/29/51/566932951.db2.gz MXICONFXBHAFEW-UHFFFAOYSA-N 0 1 396.672 3.166 20 0 GGADMN C[C@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611662641 566934289 /nfs/dbraw/zinc/93/42/89/566934289.db2.gz QPRUKPOXIGJMSV-ZDUSSCGKSA-N 0 1 387.355 3.380 20 0 GGADMN CNC(=O)[C@H](C)NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000492448181 566934400 /nfs/dbraw/zinc/93/44/00/566934400.db2.gz ZRISJWVRVAEWCQ-NSHDSACASA-N 0 1 380.275 3.470 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCOCC(F)(F)C(F)F)c1ccc(Cl)cc1 ZINC000563989217 566934363 /nfs/dbraw/zinc/93/43/63/566934363.db2.gz 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/nfs/dbraw/zinc/94/17/21/566941721.db2.gz JLVZMSGNYKVYJP-UHFFFAOYSA-N 0 1 391.656 3.417 20 0 GGADMN Cc1ccc(C(=O)N=c2ncn(Cc3ccc(Br)cc3)[nH]2)cc1C ZINC000492951665 566941948 /nfs/dbraw/zinc/94/19/48/566941948.db2.gz LGVUBDDCVAASRW-UHFFFAOYSA-N 0 1 385.265 3.380 20 0 GGADMN CCOC(=O)C[C@H](C)N(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000544124626 566941989 /nfs/dbraw/zinc/94/19/89/566941989.db2.gz BVMYJAJLCCLVCE-LBPRGKRZSA-N 0 1 375.296 3.225 20 0 GGADMN Cc1cc(Br)cc(C(=O)N2CCN(C3CCOCC3)CC2)c1C ZINC000611875580 566942664 /nfs/dbraw/zinc/94/26/64/566942664.db2.gz SNZLEBKLRBIZGM-UHFFFAOYSA-N 0 1 381.314 3.003 20 0 GGADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1c[nH]nc1-c1ccccn1 ZINC000519486847 566942609 /nfs/dbraw/zinc/94/26/09/566942609.db2.gz DZXXYRNDDAKBNE-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN O=C(CCc1c[nH]nn1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000633218197 566943044 /nfs/dbraw/zinc/94/30/44/566943044.db2.gz JGSHHTQGUCZWRN-HNNXBMFYSA-N 0 1 377.286 3.124 20 0 GGADMN O=C(CCc1cnn[nH]1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000633218197 566943053 /nfs/dbraw/zinc/94/30/53/566943053.db2.gz JGSHHTQGUCZWRN-HNNXBMFYSA-N 0 1 377.286 3.124 20 0 GGADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)C1 ZINC000452148839 566943561 /nfs/dbraw/zinc/94/35/61/566943561.db2.gz KFCMDXZYMSTCSD-YQVWRLOYSA-N 0 1 377.326 3.497 20 0 GGADMN CCc1cc(Br)c(C)nc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000656738015 566944194 /nfs/dbraw/zinc/94/41/94/566944194.db2.gz PJTUUCJBWZKRKM-UHFFFAOYSA-N 0 1 399.266 3.244 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)cc1NC(C)=O ZINC000656740618 566944336 /nfs/dbraw/zinc/94/43/36/566944336.db2.gz XSACVIFGRWPLJQ-UHFFFAOYSA-N 0 1 383.495 3.343 20 0 GGADMN COc1ccc(CNCc2cnc3c(C)cc(Br)cn23)cc1O ZINC000544173448 566944772 /nfs/dbraw/zinc/94/47/72/566944772.db2.gz NMXRZQOFCSDBJX-UHFFFAOYSA-N 0 1 376.254 3.409 20 0 GGADMN Cc1cc(N2CCC[C@@H](N3CCc4cn[nH]c4C3)C2=O)ccc1Br ZINC000680985308 566944938 /nfs/dbraw/zinc/94/49/38/566944938.db2.gz LARCOZMCDFCPHW-QGZVFWFLSA-N 0 1 389.297 3.034 20 0 GGADMN CSc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)cc1Cl ZINC000680974508 566945531 /nfs/dbraw/zinc/94/55/31/566945531.db2.gz FKWMJONWXQPFKI-UHFFFAOYSA-N 0 1 380.882 3.443 20 0 GGADMN Brc1ccccc1[C@@H](NCCNc1cnccn1)c1ccccc1 ZINC000493246008 566945643 /nfs/dbraw/zinc/94/56/43/566945643.db2.gz GHIQFSFZNCKYSH-IBGZPJMESA-N 0 1 383.293 3.452 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc(C)sc3Br)CC2)c1 ZINC000471307869 566945897 /nfs/dbraw/zinc/94/58/97/566945897.db2.gz ZCUSXTMRJSJEPP-UHFFFAOYSA-N 0 1 396.310 3.185 20 0 GGADMN COc1ccc(CCCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000583378983 566946325 /nfs/dbraw/zinc/94/63/25/566946325.db2.gz YLZARFVCFKQYHM-IBGZPJMESA-N 0 1 391.309 3.381 20 0 GGADMN CC[C@H](NCc1cnc2c(C)cc(Br)cn12)[C@@H](O)C(F)(F)F ZINC000544179452 566946520 /nfs/dbraw/zinc/94/65/20/566946520.db2.gz SLXXXGPOMWUSDX-NWDGAFQWSA-N 0 1 380.208 3.197 20 0 GGADMN C[C@H](c1ccccc1)[C@@H](CO)NCc1nnc(-c2ccc(Br)o2)o1 ZINC000680993258 566946826 /nfs/dbraw/zinc/94/68/26/566946826.db2.gz QOARSPACUMBMEY-DGCLKSJQSA-N 0 1 392.253 3.346 20 0 GGADMN O[C@H](CN[C@H]1COCc2ccccc21)COc1ccc(Br)cc1 ZINC000583377031 566946712 /nfs/dbraw/zinc/94/67/12/566946712.db2.gz UNCOFYXRLOUUSN-QAPCUYQASA-N 0 1 378.266 3.050 20 0 GGADMN CC[C@H](NCc1cnc2c(C)cc(Br)cn12)[C@H](O)C(F)(F)F ZINC000544179453 566946689 /nfs/dbraw/zinc/94/66/89/566946689.db2.gz SLXXXGPOMWUSDX-RYUDHWBXSA-N 0 1 380.208 3.197 20 0 GGADMN CSc1cc(Br)ccc1CNC[C@H]1CCCCS1(=O)=O ZINC000544182182 566947000 /nfs/dbraw/zinc/94/70/00/566947000.db2.gz WPNMSGRXEQPQMA-CYBMUJFWSA-N 0 1 378.357 3.228 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[N@H+](C2CC2)C1 ZINC000452171696 566947094 /nfs/dbraw/zinc/94/70/94/566947094.db2.gz LFLBMSICMGQVON-JTQLQIEISA-N 0 1 387.705 3.364 20 0 GGADMN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C)cc1 ZINC000519543198 566947377 /nfs/dbraw/zinc/94/73/77/566947377.db2.gz FIBMRTQDIRUPEL-UHFFFAOYSA-N 0 1 382.869 3.295 20 0 GGADMN C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[N@H+](C2CC2)C1 ZINC000452169871 566947299 /nfs/dbraw/zinc/94/72/99/566947299.db2.gz GPYUTQORUOKKFL-SNVBAGLBSA-N 0 1 387.705 3.364 20 0 GGADMN CCN(CC)c1nc2sc(C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)cc2s1 ZINC000493466674 566947639 /nfs/dbraw/zinc/94/76/39/566947639.db2.gz QRDAWGBUAVMJKD-OLZOCXBDSA-N 0 1 378.567 3.370 20 0 GGADMN O=C(CNC[C@H]1CCCO1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000429740165 566947716 /nfs/dbraw/zinc/94/77/16/566947716.db2.gz SJWQENYDILSDRT-CYBMUJFWSA-N 0 1 396.310 3.280 20 0 GGADMN C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583387076 566947855 /nfs/dbraw/zinc/94/78/55/566947855.db2.gz XWFNNMQGNFDCDX-FZMZJTMJSA-N 0 1 379.258 3.137 20 0 GGADMN C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583387076 566947858 /nfs/dbraw/zinc/94/78/58/566947858.db2.gz XWFNNMQGNFDCDX-FZMZJTMJSA-N 0 1 379.258 3.137 20 0 GGADMN CCc1nc(CNC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)n[nH]1 ZINC000452175682 566948154 /nfs/dbraw/zinc/94/81/54/566948154.db2.gz CHHXILXPJYSIOW-UHFFFAOYSA-N 0 1 379.302 3.323 20 0 GGADMN CCc1nc(CNC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000452180936 566948757 /nfs/dbraw/zinc/94/87/57/566948757.db2.gz HQRJZCCEVXYMRE-UHFFFAOYSA-N 0 1 379.251 3.098 20 0 GGADMN CCc1nc(CNC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000452181085 566949124 /nfs/dbraw/zinc/94/91/24/566949124.db2.gz IKBKYWSXSHPJOP-UHFFFAOYSA-N 0 1 379.251 3.098 20 0 GGADMN C[C@@H]1CC[C@@H](N(CCO)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000429773345 566949926 /nfs/dbraw/zinc/94/99/26/566949926.db2.gz QERUGBGFKJZXCQ-IUODEOHRSA-N 0 1 380.286 3.482 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)Nc1cc(C(F)F)ccc1Cl ZINC000564144628 566949979 /nfs/dbraw/zinc/94/99/79/566949979.db2.gz NUHORNUJAFJOCR-UHFFFAOYSA-N 0 1 382.797 3.322 20 0 GGADMN CC[C@H]1CN(C(=O)NCCc2c(Cl)cccc2Cl)CCN1C[C@H](C)O ZINC000544241335 566950008 /nfs/dbraw/zinc/95/00/08/566950008.db2.gz AVBPPNWXEPCEPI-KBPBESRZSA-N 0 1 388.339 3.023 20 0 GGADMN Cn1c(CNC[C@H](O)COc2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000583435928 566950629 /nfs/dbraw/zinc/95/06/29/566950629.db2.gz KLODJGKXOLZWJM-ZDUSSCGKSA-N 0 1 380.275 3.410 20 0 GGADMN Cc1nc(C)c(NC(=O)c2cc(C(=O)Nc3sc(C)nc3C)[nH]n2)s1 ZINC000612055328 566950764 /nfs/dbraw/zinc/95/07/64/566950764.db2.gz FONGLPLEOIHFMD-UHFFFAOYSA-N 0 1 376.467 3.061 20 0 GGADMN CSc1ccc([C@@H](CNC(=O)C(=O)Nc2ccsc2Cl)N(C)C)cc1 ZINC000493575062 566950891 /nfs/dbraw/zinc/95/08/91/566950891.db2.gz BGLRZEZOGABMEO-CQSZACIVSA-N 0 1 397.953 3.481 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)CCn1cc(Br)cn1 ZINC000564157568 566951819 /nfs/dbraw/zinc/95/18/19/566951819.db2.gz VMHCAKRQLTYCOQ-MRXNPFEDSA-N 0 1 395.301 3.003 20 0 GGADMN CC(C)c1nc(C(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)cs1 ZINC000681126154 566952347 /nfs/dbraw/zinc/95/23/47/566952347.db2.gz QUNNPTXQEZBQCI-LBPRGKRZSA-N 0 1 380.836 3.092 20 0 GGADMN C[C@@]1(CCCO)CCCN1Cc1cn(-c2ccccc2Br)nn1 ZINC000519604461 566952367 /nfs/dbraw/zinc/95/23/67/566952367.db2.gz BPEXMCYQKJGLQI-KRWDZBQOSA-N 0 1 379.302 3.157 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1F ZINC000493678146 566952999 /nfs/dbraw/zinc/95/29/99/566952999.db2.gz KZFHPSHXGCZERV-UHFFFAOYSA-N 0 1 395.272 3.214 20 0 GGADMN Cc1cccn(Cc2c(F)cccc2NS(=O)(=O)c2ccsc2)c1=O ZINC000583462278 566953021 /nfs/dbraw/zinc/95/30/21/566953021.db2.gz BYGSRVOSFHIHDJ-UHFFFAOYSA-N 0 1 378.450 3.206 20 0 GGADMN C[C@H]1C[C@H](NC(=O)c2cc(-c3cccc(Br)c3)no2)CN1C1CC1 ZINC000612103546 566953068 /nfs/dbraw/zinc/95/30/68/566953068.db2.gz JAEHAGJVAVMXGF-FZMZJTMJSA-N 0 1 390.281 3.459 20 0 GGADMN CCN1CCC(N(C)S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000493662807 566953587 /nfs/dbraw/zinc/95/35/87/566953587.db2.gz VOUIEEWPRRAYSJ-UHFFFAOYSA-N 0 1 395.750 3.207 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000519628753 566953659 /nfs/dbraw/zinc/95/36/59/566953659.db2.gz PYBZABMETDVPKB-UHFFFAOYSA-N 0 1 387.355 3.209 20 0 GGADMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493740747 566954528 /nfs/dbraw/zinc/95/45/28/566954528.db2.gz VLVXPPQYMSBQMR-LLVKDONJSA-N 0 1 395.750 3.255 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000564209690 566955367 /nfs/dbraw/zinc/95/53/67/566955367.db2.gz CGBLNMGLBGPZBI-UWVGGRQHSA-N 0 1 378.778 3.482 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000564209690 566955370 /nfs/dbraw/zinc/95/53/70/566955370.db2.gz CGBLNMGLBGPZBI-UWVGGRQHSA-N 0 1 378.778 3.482 20 0 GGADMN COc1cc(Br)c(CNC[C@H](O)CCc2ccccc2)cc1O ZINC000544349274 566955736 /nfs/dbraw/zinc/95/57/36/566955736.db2.gz XDNXTBYKYIOSAV-OAHLLOKOSA-N 0 1 380.282 3.247 20 0 GGADMN C[C@H](C(=O)N1CCC[C@H]1c1ccccc1I)N1CC(C)C1 ZINC000564225101 566957143 /nfs/dbraw/zinc/95/71/43/566957143.db2.gz WJMJRBNNPWISLE-CJNGLKHVSA-N 0 1 398.288 3.295 20 0 GGADMN O=S(=O)(Cc1cc(F)ccc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656863254 566957362 /nfs/dbraw/zinc/95/73/62/566957362.db2.gz PLCVOEGNJQJRTL-QGZVFWFLSA-N 0 1 382.888 3.173 20 0 GGADMN CC(C)N(CCN(C)C)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429848727 566957605 /nfs/dbraw/zinc/95/76/05/566957605.db2.gz GJGBFVBUVOFFEQ-UHFFFAOYSA-N 0 1 383.739 3.063 20 0 GGADMN CCCCc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)[nH]n1 ZINC000471519862 566957666 /nfs/dbraw/zinc/95/76/66/566957666.db2.gz ACWAXNLAPRUPQI-UHFFFAOYSA-N 0 1 377.388 3.494 20 0 GGADMN Cc1cc(Br)cn2c(CNCc3ccc([S@](C)=O)cc3)cnc12 ZINC000612186171 566957994 /nfs/dbraw/zinc/95/79/94/566957994.db2.gz SAXYFCBPKPMDPN-QHCPKHFHSA-N 0 1 392.322 3.432 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000583507482 566958236 /nfs/dbraw/zinc/95/82/36/566958236.db2.gz RKLXOFIONCHJDW-BMGDILEWSA-N 0 1 386.330 3.246 20 0 GGADMN Cc1cc(Br)cn2c(CNCc3ccc([S@@](C)=O)cc3)cnc12 ZINC000612186170 566958604 /nfs/dbraw/zinc/95/86/04/566958604.db2.gz SAXYFCBPKPMDPN-HSZRJFAPSA-N 0 1 392.322 3.432 20 0 GGADMN O=S(=O)(CCc1ccc(F)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000656863925 566959836 /nfs/dbraw/zinc/95/98/36/566959836.db2.gz VJNVVBAOWQUQBR-KRWDZBQOSA-N 0 1 382.526 3.186 20 0 GGADMN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)[C@H]1CCCc2n[nH]nc21 ZINC000612245772 566960117 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C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)[N@H+](C)C1CC1 ZINC000471593136 566964226 /nfs/dbraw/zinc/96/42/26/566964226.db2.gz IWXJXBCBXCPOCR-MRVPVSSYSA-N 0 1 399.713 3.003 20 0 GGADMN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)[N@@H+](C)C1CC1 ZINC000471593136 566964230 /nfs/dbraw/zinc/96/42/30/566964230.db2.gz IWXJXBCBXCPOCR-MRVPVSSYSA-N 0 1 399.713 3.003 20 0 GGADMN C/C=C\C[C@H](CO)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000471601282 566964252 /nfs/dbraw/zinc/96/42/52/566964252.db2.gz HWXTXEIXYIYCRZ-XWNLZXIHSA-N 0 1 379.302 3.316 20 0 GGADMN O=C(CCc1c[nH]nn1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000633465282 566964598 /nfs/dbraw/zinc/96/45/98/566964598.db2.gz MYPNBNVMZUMABL-MRXNPFEDSA-N 0 1 377.286 3.124 20 0 GGADMN O=C(CCc1cnn[nH]1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000633465282 566964607 /nfs/dbraw/zinc/96/46/07/566964607.db2.gz MYPNBNVMZUMABL-MRXNPFEDSA-N 0 1 377.286 3.124 20 0 GGADMN COc1cc(Br)c(Cl)cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000564335501 566965223 /nfs/dbraw/zinc/96/52/23/566965223.db2.gz 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388.302 3.047 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681793533 567006295 /nfs/dbraw/zinc/00/62/95/567006295.db2.gz QTJAOLRMLGJUPP-FZMZJTMJSA-N 0 1 390.285 3.318 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681793533 567006303 /nfs/dbraw/zinc/00/63/03/567006303.db2.gz QTJAOLRMLGJUPP-FZMZJTMJSA-N 0 1 390.285 3.318 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC[C@H]2CCC[C@@H]21 ZINC000681793534 567006777 /nfs/dbraw/zinc/00/67/77/567006777.db2.gz QTJAOLRMLGJUPP-RISCZKNCSA-N 0 1 390.285 3.318 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2CCC[C@@H]21 ZINC000681793534 567006782 /nfs/dbraw/zinc/00/67/82/567006782.db2.gz QTJAOLRMLGJUPP-RISCZKNCSA-N 0 1 390.285 3.318 20 0 GGADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC[C@H]2CCC[C@H]21 ZINC000681793532 567006795 /nfs/dbraw/zinc/00/67/95/567006795.db2.gz QTJAOLRMLGJUPP-BXUZGUMPSA-N 0 1 390.285 3.318 20 0 GGADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2CCC[C@H]21 ZINC000681793532 567006797 /nfs/dbraw/zinc/00/67/97/567006797.db2.gz QTJAOLRMLGJUPP-BXUZGUMPSA-N 0 1 390.285 3.318 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000472181115 567006834 /nfs/dbraw/zinc/00/68/34/567006834.db2.gz GVQMMIZUFSBVJO-CHWSQXEVSA-N 0 1 397.957 3.292 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000472181115 567006838 /nfs/dbraw/zinc/00/68/38/567006838.db2.gz GVQMMIZUFSBVJO-CHWSQXEVSA-N 0 1 397.957 3.292 20 0 GGADMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 ZINC000657059863 567008665 /nfs/dbraw/zinc/00/86/65/567008665.db2.gz CORZOFBWNPVSCW-SNVBAGLBSA-N 0 1 382.860 3.093 20 0 GGADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000584052783 567008773 /nfs/dbraw/zinc/00/87/73/567008773.db2.gz GDELCDFOIUDGNE-QWRGUYRKSA-N 0 1 387.249 3.102 20 0 GGADMN Cc1csc(-c2ccc(S(=O)(=O)N[C@H]3CCN(C(C)(C)C)C3)cc2)n1 ZINC000657061981 567008838 /nfs/dbraw/zinc/00/88/38/567008838.db2.gz 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O=C(Nc1cc(Br)cc(Cl)c1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000584140341 567015433 /nfs/dbraw/zinc/01/54/33/567015433.db2.gz DJNQOFPKNJNJID-UHFFFAOYSA-N 0 1 383.589 3.037 20 0 GGADMN COc1cc2nccc(N(C)CCN3CCCC3=O)c2cc1Br ZINC000564877154 567015883 /nfs/dbraw/zinc/01/58/83/567015883.db2.gz XEBRDCGPXPBNIY-UHFFFAOYSA-N 0 1 378.270 3.065 20 0 GGADMN C[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000681940737 567016254 /nfs/dbraw/zinc/01/62/54/567016254.db2.gz FKKYEOZCHLXMOD-UHFFFAOYSA-N 0 1 384.860 3.315 20 0 GGADMN CO[C@]1(C(F)(F)F)CCCN(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000681946267 567016319 /nfs/dbraw/zinc/01/63/19/567016319.db2.gz WMSGASBOTRKMAA-SWLSCSKDSA-N 0 1 379.448 3.104 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2nn(C(C)(C)C)cc2Br)n[nH]1 ZINC000613122975 567016360 /nfs/dbraw/zinc/01/63/60/567016360.db2.gz YKXZKLKNGMMYPV-SECBINFHSA-N 0 1 383.294 3.133 20 0 GGADMN Cc1cc(Br)cn2cc(CNC[C@@H](O)CCc3ccccc3)nc12 ZINC000564873641 567016575 /nfs/dbraw/zinc/01/65/75/567016575.db2.gz RDHLHVFYHSVEEY-SFHVURJKSA-N 0 1 388.309 3.489 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N2CCc3[nH]nnc3C2)ccc1Br ZINC000584163515 567017078 /nfs/dbraw/zinc/01/70/78/567017078.db2.gz KIHQTEHRPLDPLN-UHFFFAOYSA-N 0 1 377.286 3.029 20 0 GGADMN COCCOCc1noc(-c2[nH]nc(-c3ccccc3)c2Br)n1 ZINC000545066269 567017129 /nfs/dbraw/zinc/01/71/29/567017129.db2.gz FTEOHJPDERSBCZ-UHFFFAOYSA-N 0 1 379.214 3.052 20 0 GGADMN Brc1cnccc1-c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000545086888 567018457 /nfs/dbraw/zinc/01/84/57/567018457.db2.gz PKWPFMLSFNMTDT-UHFFFAOYSA-N 0 1 383.209 3.270 20 0 GGADMN O=S(=O)(NC1Cc2ccccc2C1)c1cc(F)c(Br)cc1F ZINC000545121115 567020233 /nfs/dbraw/zinc/02/02/33/567020233.db2.gz BRGLFZXKYPTAOV-UHFFFAOYSA-N 0 1 388.233 3.173 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(Br)c1O ZINC000520717042 567020635 /nfs/dbraw/zinc/02/06/35/567020635.db2.gz QSLIOHIHBJMAOY-ZDUSSCGKSA-N 0 1 375.266 3.411 20 0 GGADMN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cccc(Br)c1O ZINC000520736600 567022055 /nfs/dbraw/zinc/02/20/55/567022055.db2.gz BORVVEDFHFSFCS-UHFFFAOYSA-N 0 1 399.191 3.144 20 0 GGADMN C[C@@H](CN(C)C(=O)[C@](C)(N)c1ccc(Br)cc1)c1nccs1 ZINC000564941096 567022590 /nfs/dbraw/zinc/02/25/90/567022590.db2.gz ZAEFUOGQABUDKL-MEDUHNTESA-N 0 1 382.327 3.342 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000430581333 567022602 /nfs/dbraw/zinc/02/26/02/567022602.db2.gz HEDOACFJGBUXFH-WBVHZDCISA-N 0 1 375.266 3.397 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc(C(C)(C)N)no1 ZINC000430580095 567022649 /nfs/dbraw/zinc/02/26/49/567022649.db2.gz HHXWPXZSSXDPKV-UHFFFAOYSA-N 0 1 386.283 3.031 20 0 GGADMN CC1(C)CN(C(=O)CCCc2cc(Cl)sc2Cl)CCN1CCO ZINC000682010612 567023019 /nfs/dbraw/zinc/02/30/19/567023019.db2.gz NIMSIKSFAMSDKO-UHFFFAOYSA-N 0 1 379.353 3.293 20 0 GGADMN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCCN1C1CC1 ZINC000494797494 567023389 /nfs/dbraw/zinc/02/33/89/567023389.db2.gz ZSFACCCRZVHKDN-RDTXWAMCSA-N 0 1 392.341 3.018 20 0 GGADMN CC1(C)CN(C(=O)CCCOc2cccc(Cl)c2Cl)CCN1CCO ZINC000682009453 567023594 /nfs/dbraw/zinc/02/35/94/567023594.db2.gz AEEBKMMDCFXABG-UHFFFAOYSA-N 0 1 389.323 3.068 20 0 GGADMN C[C@@](N)(C(=O)N1CCC([C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000584230546 567023722 /nfs/dbraw/zinc/02/37/22/567023722.db2.gz LJEPWNIAKVUMSY-WMZOPIPTSA-N 0 1 381.314 3.041 20 0 GGADMN Cc1ccc([C@H](N)C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000430592995 567023673 /nfs/dbraw/zinc/02/36/73/567023673.db2.gz RMWULIDDNADOFT-DYVFJYSZSA-N 0 1 377.282 3.341 20 0 GGADMN COCCN1CC[C@@H](NC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000520767645 567023997 /nfs/dbraw/zinc/02/39/97/567023997.db2.gz YTTUZBOGJPGDPJ-CQSZACIVSA-N 0 1 377.337 3.064 20 0 GGADMN Cc1cccc(Br)c1C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634194809 567024378 /nfs/dbraw/zinc/02/43/78/567024378.db2.gz WCOHMKVJAJSXOD-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cnc2ncc(Br)cc2c1 ZINC000682034532 567024344 /nfs/dbraw/zinc/02/43/44/567024344.db2.gz TXYNVBAICZXIEY-UHFFFAOYSA-N 0 1 386.131 3.387 20 0 GGADMN COCc1csc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1 ZINC000657151353 567024723 /nfs/dbraw/zinc/02/47/23/567024723.db2.gz VOVCLUFXQYXUND-UHFFFAOYSA-N 0 1 381.397 3.097 20 0 GGADMN O=C(Nc1ccccc1-c1nnc[nH]1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000472418003 567025108 /nfs/dbraw/zinc/02/51/08/567025108.db2.gz UBLSOMHIHRJCMT-OAHLLOKOSA-N 0 1 385.221 3.176 20 0 GGADMN CC1(C)C(=O)N[C@H]1C1CCN(CCOc2ccccc2Br)CC1 ZINC000520789397 567025813 /nfs/dbraw/zinc/02/58/13/567025813.db2.gz YFUNURDUWNMVBE-INIZCTEOSA-N 0 1 381.314 3.065 20 0 GGADMN O=c1cc(CN2CC=C(c3cccc(Br)c3)CC2)[nH]c2ccnn21 ZINC000545172434 567026145 /nfs/dbraw/zinc/02/61/45/567026145.db2.gz VZXRIJGFZHQUAP-UHFFFAOYSA-N 0 1 385.265 3.074 20 0 GGADMN Cc1ccc(CS(=O)(=O)Nc2cc3ccc(Br)cn3n2)cc1F ZINC000430670014 567026490 /nfs/dbraw/zinc/02/64/90/567026490.db2.gz VEALUGQOPPGTCT-UHFFFAOYSA-N 0 1 398.257 3.486 20 0 GGADMN CO[C@]1(C(F)(F)F)CCCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000682041316 567026496 /nfs/dbraw/zinc/02/64/96/567026496.db2.gz YDAPPOPIFNNVGY-CZUORRHYSA-N 0 1 381.822 3.431 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000452861960 567026573 /nfs/dbraw/zinc/02/65/73/567026573.db2.gz KFVLCDBGHXZDDG-CQSZACIVSA-N 0 1 377.286 3.296 20 0 GGADMN CN(C)C1(C(=O)NCCOc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000613279824 567028297 /nfs/dbraw/zinc/02/82/97/567028297.db2.gz VXLUMEHKORPKJP-UHFFFAOYSA-N 0 1 396.112 3.345 20 0 GGADMN CC(C)(C)N1CCCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000520860244 567028840 /nfs/dbraw/zinc/02/88/40/567028840.db2.gz UENZJOSXMAPLAC-UHFFFAOYSA-N 0 1 378.460 3.420 20 0 GGADMN CO[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H]1C ZINC000452878977 567028818 /nfs/dbraw/zinc/02/88/18/567028818.db2.gz MWYQVGAGQNYHSM-BZNIZROVSA-N 0 1 378.270 3.336 20 0 GGADMN C[N@H+](Cc1cc(Br)ccc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000584296691 567029954 /nfs/dbraw/zinc/02/99/54/567029954.db2.gz DGSHFPAXCJTTFP-CQSZACIVSA-N 0 1 392.249 3.419 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc(C)c1Br ZINC000494853197 567030027 /nfs/dbraw/zinc/03/00/27/567030027.db2.gz KQLZVORXBVUEGZ-CQSZACIVSA-N 0 1 398.345 3.375 20 0 GGADMN OC[C@H](NCc1cn(-c2ccccc2Br)nn1)C1CCCCC1 ZINC000584321028 567030510 /nfs/dbraw/zinc/03/05/10/567030510.db2.gz ZKBLZCIMNZPTNA-INIZCTEOSA-N 0 1 379.302 3.061 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc(C)c1Br ZINC000494863009 567030599 /nfs/dbraw/zinc/03/05/99/567030599.db2.gz GOTSIEXYZBISGH-AWEZNQCLSA-N 0 1 398.345 3.375 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)[C@@H]2C1 ZINC000613327732 567030737 /nfs/dbraw/zinc/03/07/37/567030737.db2.gz AONHYWCBICOMNE-CZUORRHYSA-N 0 1 390.281 3.270 20 0 GGADMN CCN(CCNC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C)C(C)C ZINC000584299423 567031050 /nfs/dbraw/zinc/03/10/50/567031050.db2.gz JWEGGFDTPIADTD-UHFFFAOYSA-N 0 1 389.949 3.374 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1ccccc1SCC(F)(F)F ZINC000682096992 567031226 /nfs/dbraw/zinc/03/12/26/567031226.db2.gz GWICLULXBHNJDK-UHFFFAOYSA-N 0 1 377.432 3.185 20 0 GGADMN Fc1cc(Cc2noc(CCCCc3cn[nH]n3)n2)ccc1Br ZINC000520890114 567031487 /nfs/dbraw/zinc/03/14/87/567031487.db2.gz FIQBLGVPZGSHED-UHFFFAOYSA-N 0 1 380.221 3.246 20 0 GGADMN C[C@](O)(C1CCN(C(=O)c2cccc(Br)c2O)CC1)C(F)(F)F ZINC000545247909 567032353 /nfs/dbraw/zinc/03/23/53/567032353.db2.gz IBYYDKNLIPSNSD-AWEZNQCLSA-N 0 1 396.203 3.320 20 0 GGADMN C[C@@]1(c2ccc(CNCc3cccc(Cl)c3Cl)cc2)NC(=O)NC1=O ZINC000520963648 567032381 /nfs/dbraw/zinc/03/23/81/567032381.db2.gz VURQTCBNUYRHNX-SFHVURJKSA-N 0 1 378.259 3.338 20 0 GGADMN CNC(=O)[C@@]1(C)CCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000430758399 567032730 /nfs/dbraw/zinc/03/27/30/567032730.db2.gz AINKVJQWAQIVGH-AWEZNQCLSA-N 0 1 379.220 3.426 20 0 GGADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000613358806 567033110 /nfs/dbraw/zinc/03/31/10/567033110.db2.gz CPWTYLSFGPUKIQ-MGPQQGTHSA-N 0 1 389.323 3.376 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCN1CC(C)(C)O ZINC000494897210 567033258 /nfs/dbraw/zinc/03/32/58/567033258.db2.gz XWWSVYRNESWRKJ-SNVBAGLBSA-N 0 1 378.275 3.441 20 0 GGADMN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)c1 ZINC000521026140 567035821 /nfs/dbraw/zinc/03/58/21/567035821.db2.gz BINXSMGUTJFFKR-UHFFFAOYSA-N 0 1 382.869 3.384 20 0 GGADMN O=S(=O)(CCN1CCC[C@H](N2CCCC2)C1)c1cc(Cl)ccc1Cl ZINC000613440131 567036004 /nfs/dbraw/zinc/03/60/04/567036004.db2.gz ODDRQHJJMHOWIB-HNNXBMFYSA-N 0 1 391.364 3.327 20 0 GGADMN Cc1noc(C)c1[C@@H](C)NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000682219563 567037776 /nfs/dbraw/zinc/03/77/76/567037776.db2.gz RSIXXTMWTGMQHK-YMTOWFKASA-N 0 1 387.249 3.284 20 0 GGADMN COCCOc1ccccc1CNc1nc2ccc(Br)cc2[nH]1 ZINC000472581907 567038115 /nfs/dbraw/zinc/03/81/15/567038115.db2.gz IDLUFPBWGBQHCU-UHFFFAOYSA-N 0 1 376.254 3.385 20 0 GGADMN CC(C)Sc1cccc(Cl)c1CNC[C@H]1CCCN1S(C)(=O)=O ZINC000472587837 567038736 /nfs/dbraw/zinc/03/87/36/567038736.db2.gz XOBOGMPZLODEIK-CYBMUJFWSA-N 0 1 376.975 3.354 20 0 GGADMN O=C([O-])[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000521070964 567039762 /nfs/dbraw/zinc/03/97/62/567039762.db2.gz WFKTUBDFCGGVDV-BBWFWOEESA-N 0 1 382.298 3.448 20 0 GGADMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000565113079 567040193 /nfs/dbraw/zinc/04/01/93/567040193.db2.gz YRCZHXADUNMYKQ-OAHLLOKOSA-N 0 1 376.678 3.416 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)OC)c2Br)C[C@@H]1C ZINC000495015970 567040819 /nfs/dbraw/zinc/04/08/19/567040819.db2.gz HXKGJNVQTYZXNF-NWDGAFQWSA-N 0 1 398.301 3.182 20 0 GGADMN COC(=O)c1cccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1Br ZINC000495021743 567040847 /nfs/dbraw/zinc/04/08/47/567040847.db2.gz APGZOYNWHCFIPC-LBPRGKRZSA-N 0 1 393.241 3.158 20 0 GGADMN CN(C)[C@H](CN1C(=O)N[C@@H](Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000430962684 567041582 /nfs/dbraw/zinc/04/15/82/567041582.db2.gz QUXGLGKKAHDFPP-LSDHHAIUSA-N 0 1 377.897 3.167 20 0 GGADMN Cc1ccc(CS(=O)(=O)Cc2n[nH]c(C(C)(C)C)n2)cc1Br ZINC000430973116 567042498 /nfs/dbraw/zinc/04/24/98/567042498.db2.gz SLINCQJJNRXGFR-UHFFFAOYSA-N 0 1 386.315 3.288 20 0 GGADMN CN(C)[C@@H](CN1C(=O)N[C@H](Cc2ccccc2Cl)C1=O)c1cccs1 ZINC000430962681 567042596 /nfs/dbraw/zinc/04/25/96/567042596.db2.gz QUXGLGKKAHDFPP-CABCVRRESA-N 0 1 377.897 3.167 20 0 GGADMN O=C(CCN1C[C@@]2(CCCO2)[C@H]1C1CC1)Nc1ccc(Br)cc1 ZINC000453019248 567042705 /nfs/dbraw/zinc/04/27/05/567042705.db2.gz ONASIWGWGZVJKS-MSOLQXFVSA-N 0 1 379.298 3.421 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cnc2ncc(Br)cc2c1 ZINC000682408816 567043212 /nfs/dbraw/zinc/04/32/12/567043212.db2.gz AUZABIJQVVXENL-UHFFFAOYSA-N 0 1 395.220 3.430 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000521146541 567043612 /nfs/dbraw/zinc/04/36/12/567043612.db2.gz DPIALFCLUAQDJC-ZDUSSCGKSA-N 0 1 394.301 3.389 20 0 GGADMN COC(=O)c1cccc(NC(=O)N2CCN(C)[C@@H](C(C)C)C2)c1Br ZINC000495060321 567043903 /nfs/dbraw/zinc/04/39/03/567043903.db2.gz QTFRNRACTVWROJ-CQSZACIVSA-N 0 1 398.301 3.040 20 0 GGADMN CC(C)C(=O)NCCN(C)Cc1cc(Br)cc(Br)c1 ZINC000584436963 567043981 /nfs/dbraw/zinc/04/39/81/567043981.db2.gz KDJLSWALFOMTDE-UHFFFAOYSA-N 0 1 392.135 3.416 20 0 GGADMN C[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cscc2Br)C1 ZINC000634656461 567043970 /nfs/dbraw/zinc/04/39/70/567043970.db2.gz OBTNBYPWIXPFLD-UHFFFAOYSA-N 0 1 387.324 3.299 20 0 GGADMN C[N@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cscc2Br)C1 ZINC000634656461 567043976 /nfs/dbraw/zinc/04/39/76/567043976.db2.gz OBTNBYPWIXPFLD-UHFFFAOYSA-N 0 1 387.324 3.299 20 0 GGADMN Cc1c(Br)cncc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000657298166 567044291 /nfs/dbraw/zinc/04/42/91/567044291.db2.gz TXXXQUOPUCZGTM-LBPRGKRZSA-N 0 1 383.311 3.407 20 0 GGADMN Cc1cc(S(=O)(=O)[N-]c2cc(C[NH+]3CCSCC3)ccc2C)sn1 ZINC000634655916 567044151 /nfs/dbraw/zinc/04/41/51/567044151.db2.gz NWCJDHVDQVXQDY-UHFFFAOYSA-N 0 1 383.564 3.110 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Br)c2c1OCCC2 ZINC000565153110 567044362 /nfs/dbraw/zinc/04/43/62/567044362.db2.gz HQINTMRBUMFOJQ-CQSZACIVSA-N 0 1 376.254 3.305 20 0 GGADMN O=S(=O)(Cc1ccc(Cl)c(F)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000472667753 567045045 /nfs/dbraw/zinc/04/50/45/567045045.db2.gz GYTRMQVGJGOLCS-INIZCTEOSA-N 0 1 382.888 3.173 20 0 GGADMN O=C(CCN1C[C@@]2(CCCO2)[C@H]1C1CC1)Nc1cccc(Br)c1 ZINC000453030682 567045939 /nfs/dbraw/zinc/04/59/39/567045939.db2.gz YOLDSBGIFHHVDZ-MSOLQXFVSA-N 0 1 379.298 3.421 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCOCC2(CCC2)C1 ZINC000545395895 567046704 /nfs/dbraw/zinc/04/67/04/567046704.db2.gz JMIATAOFGQZKEV-OAHLLOKOSA-N 0 1 395.341 3.299 20 0 GGADMN CCN1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)[C@H](C)C1 ZINC000584486871 567046779 /nfs/dbraw/zinc/04/67/79/567046779.db2.gz ZLMCXIHFEHSYSI-OAHLLOKOSA-N 0 1 395.341 3.050 20 0 GGADMN O=C(NCc1cccc(Cl)c1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000521184055 567047156 /nfs/dbraw/zinc/04/71/56/567047156.db2.gz NLJGTOLGGVJRPK-UHFFFAOYSA-N 0 1 386.323 3.247 20 0 GGADMN COC(=O)c1cn(C2CCN([C@H](C)c3ccccc3Br)CC2)nn1 ZINC000545398608 567047598 /nfs/dbraw/zinc/04/75/98/567047598.db2.gz VDSXRXLDUIPCCL-GFCCVEGCSA-N 0 1 393.285 3.225 20 0 GGADMN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@@H]1CCCc2n[nH]nc21 ZINC000613614639 567048527 /nfs/dbraw/zinc/04/85/27/567048527.db2.gz AISLAZFXMVBNLT-SSDOTTSWSA-N 0 1 378.820 3.174 20 0 GGADMN O=S(=O)(Nc1ncc2c(n1)CCOC2)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000634660300 567048715 /nfs/dbraw/zinc/04/87/15/567048715.db2.gz FQDSECSEEBLHOE-UHFFFAOYSA-N 0 1 393.774 3.022 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000472752475 567049396 /nfs/dbraw/zinc/04/93/96/567049396.db2.gz PWLNGGSLSUHLCC-XJKSGUPXSA-N 0 1 389.359 3.161 20 0 GGADMN C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1nc2c(s1)CCC2 ZINC000521215341 567049399 /nfs/dbraw/zinc/04/93/99/567049399.db2.gz GBYSUXSPAVDRNQ-QMMMGPOBSA-N 0 1 392.424 3.396 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000472752471 567049777 /nfs/dbraw/zinc/04/97/77/567049777.db2.gz PWLNGGSLSUHLCC-CJNGLKHVSA-N 0 1 389.359 3.161 20 0 GGADMN COc1cccc(C[NH+]=c2[n-]nc3ccc(Br)cn32)c1OC(C)C ZINC000453052490 567049881 /nfs/dbraw/zinc/04/98/81/567049881.db2.gz PKESRFWZXPXOIX-UHFFFAOYSA-N 0 1 391.269 3.322 20 0 GGADMN COc1cccc(Cl)c1NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000634663833 567050275 /nfs/dbraw/zinc/05/02/75/567050275.db2.gz AUJVKLOEYJHWJM-VIFPVBQESA-N 0 1 388.898 3.408 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)N[C@H]3CCN(C4CC4)C3)c2c1C ZINC000521226690 567050758 /nfs/dbraw/zinc/05/07/58/567050758.db2.gz NQIKLAXODLGMCY-ZDUSSCGKSA-N 0 1 376.551 3.062 20 0 GGADMN Cc1sc2nc(C)nc(SCC(=O)N[C@@H]3CCN(C4CC4)C3)c2c1C ZINC000521226688 567050773 /nfs/dbraw/zinc/05/07/73/567050773.db2.gz NQIKLAXODLGMCY-CYBMUJFWSA-N 0 1 376.551 3.062 20 0 GGADMN COc1cc(F)c(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1OC ZINC000472790319 567051044 /nfs/dbraw/zinc/05/10/44/567051044.db2.gz NJDMTWYGYJVSFB-UHFFFAOYSA-N 0 1 380.319 3.058 20 0 GGADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)N(C)C)CC1 ZINC000521267488 567051672 /nfs/dbraw/zinc/05/16/72/567051672.db2.gz RHQWOCGVSBBTSD-SFHVURJKSA-N 0 1 396.373 3.386 20 0 GGADMN Cc1cc(OC[C@H](O)C[N@H+]2CCSC[C@H]2C(=O)[O-])c(C(C)C)cc1Cl ZINC000565252753 567051911 /nfs/dbraw/zinc/05/19/11/567051911.db2.gz CXOUUSSSJSDFIX-CJNGLKHVSA-N 0 1 387.929 3.014 20 0 GGADMN Cc1c(Br)cncc1CN[C@H]1CCN(c2ccccc2F)C1=O ZINC000657360175 567051829 /nfs/dbraw/zinc/05/18/29/567051829.db2.gz YHHUENHPXVAUPQ-HNNXBMFYSA-N 0 1 378.245 3.187 20 0 GGADMN CC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1cc(F)cc(Br)c1 ZINC000613645525 567052126 /nfs/dbraw/zinc/05/21/26/567052126.db2.gz IDJIREBYBOHDIR-CHWSQXEVSA-N 0 1 381.249 3.394 20 0 GGADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(F)cc2OC)c1 ZINC000545447118 567052721 /nfs/dbraw/zinc/05/27/21/567052721.db2.gz LTLFUTDNGMEZBO-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(F)c(I)c1)C(=O)NC(C)(C)C ZINC000453089717 567052920 /nfs/dbraw/zinc/05/29/20/567052920.db2.gz RXBGOMKLIDEOQE-VHSXEESVSA-N 0 1 392.256 3.384 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(F)c(I)c1)C(=O)NC(C)(C)C ZINC000453089715 567053305 /nfs/dbraw/zinc/05/33/05/567053305.db2.gz RXBGOMKLIDEOQE-NXEZZACHSA-N 0 1 392.256 3.384 20 0 GGADMN Brc1ccccc1-n1cc(CN2CC[C@H](C3CCOCC3)C2)nn1 ZINC000565277973 567053385 /nfs/dbraw/zinc/05/33/85/567053385.db2.gz XCMIEMGASTZXGI-HNNXBMFYSA-N 0 1 391.313 3.278 20 0 GGADMN COc1ccc(CNC[C@@H](O)CCc2ccccc2)c(Br)c1O ZINC000545470362 567053780 /nfs/dbraw/zinc/05/37/80/567053780.db2.gz KBDTWJHBWBQVAT-HNNXBMFYSA-N 0 1 380.282 3.247 20 0 GGADMN CSc1n[nH]c(NC(=O)CCCCOc2ccc(Br)cc2)n1 ZINC000521298319 567054013 /nfs/dbraw/zinc/05/40/13/567054013.db2.gz ORGCBRVBTUNBOW-UHFFFAOYSA-N 0 1 385.287 3.477 20 0 GGADMN COC(=O)c1sc2ccccc2c1S(=O)(=O)NC1(C(F)(F)F)CCC1 ZINC000545466304 567053874 /nfs/dbraw/zinc/05/38/74/567053874.db2.gz IPDNNHZDTQRRTG-UHFFFAOYSA-N 0 1 393.408 3.451 20 0 GGADMN COc1ccc(CNC[C@H](O)CCc2ccccc2)c(Br)c1O ZINC000545470363 567054341 /nfs/dbraw/zinc/05/43/41/567054341.db2.gz KBDTWJHBWBQVAT-OAHLLOKOSA-N 0 1 380.282 3.247 20 0 GGADMN O=C(Nc1ccsc1Cl)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000521321674 567054454 /nfs/dbraw/zinc/05/44/54/567054454.db2.gz BJPPGRZCWVUXOB-AWEZNQCLSA-N 0 1 380.901 3.371 20 0 GGADMN Brc1ccccc1-n1cc(CN2CC[C@@H](C3CCOCC3)C2)nn1 ZINC000565277977 567054441 /nfs/dbraw/zinc/05/44/41/567054441.db2.gz XCMIEMGASTZXGI-OAHLLOKOSA-N 0 1 391.313 3.278 20 0 GGADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(n2cc(Br)cn2)CC1 ZINC000521348477 567055702 /nfs/dbraw/zinc/05/57/02/567055702.db2.gz LVQRRVGRAIDBKH-HOCLYGCPSA-N 0 1 397.361 3.462 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000545490795 567056041 /nfs/dbraw/zinc/05/60/41/567056041.db2.gz RFUGAZAOEVHRMU-UHFFFAOYSA-N 0 1 396.228 3.311 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(n2cc(Br)cn2)CC1 ZINC000521348476 567056179 /nfs/dbraw/zinc/05/61/79/567056179.db2.gz LVQRRVGRAIDBKH-GOEBONIOSA-N 0 1 397.361 3.462 20 0 GGADMN OC[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(Br)cc1 ZINC000657422616 567057140 /nfs/dbraw/zinc/05/71/40/567057140.db2.gz YIGYOTNBPPWQDH-RBUKOAKNSA-N 0 1 392.293 3.440 20 0 GGADMN OC[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)C1CCOCC1 ZINC000584658389 567057988 /nfs/dbraw/zinc/05/79/88/567057988.db2.gz JJWAHYZAAXLBHB-KRWDZBQOSA-N 0 1 382.913 3.253 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000545520144 567058505 /nfs/dbraw/zinc/05/85/05/567058505.db2.gz HCFJWJXTGFZGMB-GOEBONIOSA-N 0 1 393.285 3.225 20 0 GGADMN CC[C@H](c1ccc(Br)cc1)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000545520143 567058845 /nfs/dbraw/zinc/05/88/45/567058845.db2.gz HCFJWJXTGFZGMB-GDBMZVCRSA-N 0 1 393.285 3.225 20 0 GGADMN CO[C@@H]1C[C@@H](NCc2cn(-c3ccccc3Br)nn2)C12CCC2 ZINC000453159713 567059265 /nfs/dbraw/zinc/05/92/65/567059265.db2.gz NOSKEWORZMEBCF-HZPDHXFCSA-N 0 1 377.286 3.077 20 0 GGADMN O=c1ccc(Br)cn1CCNCc1cccc(OC2CC2)c1F ZINC000657476889 567060600 /nfs/dbraw/zinc/06/06/00/567060600.db2.gz FLPVBIWWWUBBGX-UHFFFAOYSA-N 0 1 381.245 3.081 20 0 GGADMN COc1ccc(Br)cc1CN(C)C(=O)[C@H](N)c1ccccc1C ZINC000565359711 567060673 /nfs/dbraw/zinc/06/06/73/567060673.db2.gz JDRMBDJDWQCDLA-QGZVFWFLSA-N 0 1 377.282 3.425 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)sn1 ZINC000634788208 567060981 /nfs/dbraw/zinc/06/09/81/567060981.db2.gz JACKRHZYVUGYGP-UHFFFAOYSA-N 0 1 387.914 3.386 20 0 GGADMN Cn1nc(C(F)(F)F)cc1CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000657476022 567060971 /nfs/dbraw/zinc/06/09/71/567060971.db2.gz JSTOHBVIGCXRFH-UHFFFAOYSA-N 0 1 395.834 3.046 20 0 GGADMN Cc1cc([C@H](Cc2ccccc2Cl)NCC(=O)N2CCOCC2)cs1 ZINC000453184506 567061477 /nfs/dbraw/zinc/06/14/77/567061477.db2.gz WKTCGGJRXRVANN-SFHVURJKSA-N 0 1 378.925 3.442 20 0 GGADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453185606 567061605 /nfs/dbraw/zinc/06/16/05/567061605.db2.gz VXAVZZMSNCYXCO-RDDDGLTNSA-N 0 1 391.146 3.394 20 0 GGADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453185607 567061698 /nfs/dbraw/zinc/06/16/98/567061698.db2.gz VXAVZZMSNCYXCO-WRWORJQWSA-N 0 1 391.146 3.394 20 0 GGADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(F)c(I)c1 ZINC000453185605 567061968 /nfs/dbraw/zinc/06/19/68/567061968.db2.gz VXAVZZMSNCYXCO-HQJQHLMTSA-N 0 1 391.146 3.394 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Cc1ccccc1Br)N1CCOCC1 ZINC000521469230 567061857 /nfs/dbraw/zinc/06/18/57/567061857.db2.gz BXVOJMQRKUGASF-SFHVURJKSA-N 0 1 397.357 3.245 20 0 GGADMN COC(=O)c1cccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c1Cl ZINC000431177452 567062071 /nfs/dbraw/zinc/06/20/71/567062071.db2.gz GHJNWBZWQOEVAE-UHFFFAOYSA-N 0 1 379.743 3.345 20 0 GGADMN COC(=O)CC1(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000495525585 567062845 /nfs/dbraw/zinc/06/28/45/567062845.db2.gz AHMYECZORAJWER-UHFFFAOYSA-N 0 1 378.778 3.373 20 0 GGADMN O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000584716337 567063621 /nfs/dbraw/zinc/06/36/21/567063621.db2.gz UVEAPCWJYAHAKQ-SSDOTTSWSA-N 0 1 388.628 3.381 20 0 GGADMN CCCC[C@@H](NCc1cccc(Br)c1)C(=O)Nc1cc(C)on1 ZINC000495683172 567064224 /nfs/dbraw/zinc/06/42/24/567064224.db2.gz LZOCRGHMJAJPLS-OAHLLOKOSA-N 0 1 380.286 3.455 20 0 GGADMN Cn1cc([C@@H]2[C@@H](CNCc3ncc(Cl)s3)CC(=O)N2C(C)(C)C)cn1 ZINC000657519112 567064333 /nfs/dbraw/zinc/06/43/33/567064333.db2.gz UIEHUUZRUAZVJZ-BZNIZROVSA-N 0 1 381.933 3.008 20 0 GGADMN Cc1cc(C)cc(Cc2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)c1 ZINC000545589368 567064482 /nfs/dbraw/zinc/06/44/82/567064482.db2.gz ZKELSIWTDMIGFX-UHFFFAOYSA-N 0 1 397.909 3.471 20 0 GGADMN CS[C@@H]1CN(C(=O)CCC(=O)c2csc3ccccc23)C[C@@H]1N(C)C ZINC000495617020 567064640 /nfs/dbraw/zinc/06/46/40/567064640.db2.gz DBXCMYPSRXWLFP-MAUKXSAKSA-N 0 1 376.547 3.368 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)NCCN2CCCCCC2)cc1Cl ZINC000521556553 567065218 /nfs/dbraw/zinc/06/52/18/567065218.db2.gz GXROZECRHJDMDP-UHFFFAOYSA-N 0 1 381.325 3.156 20 0 GGADMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc(-c2ccc(Br)cc2)no1 ZINC000613854714 567066447 /nfs/dbraw/zinc/06/64/47/567066447.db2.gz XBBSVEMJGNKGDF-UHFFFAOYSA-N 0 1 388.225 3.031 20 0 GGADMN Cc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000682711011 567067688 /nfs/dbraw/zinc/06/76/88/567067688.db2.gz SXPOJTPPMVKPMB-ZDUSSCGKSA-N 0 1 382.295 3.493 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(Br)c1O ZINC000521609479 567068722 /nfs/dbraw/zinc/06/87/22/567068722.db2.gz VCHINKSLUAHCJP-UHFFFAOYSA-N 0 1 377.238 3.140 20 0 GGADMN O=S(=O)(N[C@@H](CN1CCCCC1)c1ccccc1)c1cncc(Cl)c1 ZINC000682726497 567069726 /nfs/dbraw/zinc/06/97/26/567069726.db2.gz NPVVBIAYPPAGNS-SFHVURJKSA-N 0 1 379.913 3.241 20 0 GGADMN Cc1c([C@H](C)NCCC(C)(C)CO)nnn1-c1cccc(Br)c1 ZINC000453275376 567070974 /nfs/dbraw/zinc/07/09/74/567070974.db2.gz LOMCZNHVEZHXNT-LBPRGKRZSA-N 0 1 381.318 3.397 20 0 GGADMN CC[C@H](C)[C@@H](CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OC ZINC000453269820 567071503 /nfs/dbraw/zinc/07/15/03/567071503.db2.gz QHPNYAOAIBXYLE-IMSIIYSGSA-N 0 1 383.341 3.353 20 0 GGADMN CC[C@H](C)[C@H](CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)OC ZINC000453269817 567071683 /nfs/dbraw/zinc/07/16/83/567071683.db2.gz QHPNYAOAIBXYLE-BHDSKKPTSA-N 0 1 383.341 3.353 20 0 GGADMN O=C(NCc1ccc2c(c1)OCCCO2)c1cccc(Br)c1O ZINC000521647411 567071961 /nfs/dbraw/zinc/07/19/61/567071961.db2.gz WYCURWRBIWUTPV-UHFFFAOYSA-N 0 1 378.222 3.246 20 0 GGADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C)c2nccs2)n1 ZINC000613921460 567072168 /nfs/dbraw/zinc/07/21/68/567072168.db2.gz RVQKMPVXRKCMLB-UHFFFAOYSA-N 0 1 395.897 3.345 20 0 GGADMN CSc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000657581723 567072481 /nfs/dbraw/zinc/07/24/81/567072481.db2.gz KAZIQOHAPNVZFK-CHWSQXEVSA-N 0 1 383.945 3.237 20 0 GGADMN CCCC[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000453282666 567072478 /nfs/dbraw/zinc/07/24/78/567072478.db2.gz URLNOPWCSFEBQJ-HOTGVXAUSA-N 0 1 380.337 3.364 20 0 GGADMN CN(Cc1ccccc1)C1CN(c2ncccc2I)C1 ZINC000521653835 567072888 /nfs/dbraw/zinc/07/28/88/567072888.db2.gz BHOWWOOVQVVFMS-UHFFFAOYSA-N 0 1 379.245 3.007 20 0 GGADMN CCCC[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000453282670 567072921 /nfs/dbraw/zinc/07/29/21/567072921.db2.gz URLNOPWCSFEBQJ-HZPDHXFCSA-N 0 1 380.337 3.364 20 0 GGADMN CSc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000657582007 567073117 /nfs/dbraw/zinc/07/31/17/567073117.db2.gz RVNXICSZSBBFNK-OLZOCXBDSA-N 0 1 383.945 3.237 20 0 GGADMN CC[C@@](C)(CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)OC ZINC000453294417 567073281 /nfs/dbraw/zinc/07/32/81/567073281.db2.gz FNQZLDJXBMXLHK-ZFWWWQNUSA-N 0 1 376.316 3.072 20 0 GGADMN C[C@H]1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)N1C1CCC1 ZINC000584829739 567073332 /nfs/dbraw/zinc/07/33/32/567073332.db2.gz VQRGVONNXIPVPA-VIFPVBQESA-N 0 1 377.242 3.031 20 0 GGADMN C[C@@H](C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)N(C)C ZINC000682813402 567074328 /nfs/dbraw/zinc/07/43/28/567074328.db2.gz JRONYZNHQWFMKH-SUMWQHHRSA-N 0 1 376.298 3.194 20 0 GGADMN Cc1c([C@@H](C)NCCC2(CO)CC2)nnn1-c1cccc(Br)c1 ZINC000453332164 567074569 /nfs/dbraw/zinc/07/45/69/567074569.db2.gz FVYOWQRQNILGBH-GFCCVEGCSA-N 0 1 379.302 3.151 20 0 GGADMN C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cnc2ccsc2c1 ZINC000453305267 567074998 /nfs/dbraw/zinc/07/49/98/567074998.db2.gz QLBSOOAVHPZJCY-ZDUSSCGKSA-N 0 1 375.519 3.397 20 0 GGADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1sccc1Br ZINC000473359046 567075078 /nfs/dbraw/zinc/07/50/78/567075078.db2.gz ALWQSSBVXCLXKU-LBPRGKRZSA-N 0 1 377.267 3.343 20 0 GGADMN O=C(Cc1ccc(Br)cc1)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473371114 567075166 /nfs/dbraw/zinc/07/51/66/567075166.db2.gz IMOUMPRVHPWUBK-INIZCTEOSA-N 0 1 385.265 3.210 20 0 GGADMN Cc1[nH+]ccn1CCCN1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000635017962 567075472 /nfs/dbraw/zinc/07/54/72/567075472.db2.gz DYRLMXDEMXVSAU-CQSZACIVSA-N 0 1 378.270 3.423 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CNC/C=C/CO ZINC000657591605 567075338 /nfs/dbraw/zinc/07/53/38/567075338.db2.gz IZDOPFXXPFSYEL-ONEGZZNKSA-N 0 1 379.092 3.248 20 0 GGADMN O=C(CCN1CCOC[C@H]1C1CCC1)Nc1ccc(Br)cc1F ZINC000565537496 567075510 /nfs/dbraw/zinc/07/55/10/567075510.db2.gz FVRUINNOYPHKLP-INIZCTEOSA-N 0 1 385.277 3.418 20 0 GGADMN O=C(CCN1CCOC[C@@H]1C1CCC1)Nc1ccc(Br)cc1F ZINC000565537499 567075870 /nfs/dbraw/zinc/07/58/70/567075870.db2.gz FVRUINNOYPHKLP-MRXNPFEDSA-N 0 1 385.277 3.418 20 0 GGADMN CCc1nc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)n[nH]1 ZINC000565522773 567075993 /nfs/dbraw/zinc/07/59/93/567075993.db2.gz WHGVAPPXIGIIGK-UHFFFAOYSA-N 0 1 377.286 3.258 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(F)cc1Br ZINC000473377995 567076518 /nfs/dbraw/zinc/07/65/18/567076518.db2.gz FTYCTGJVZVULJQ-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(F)cc(Br)c1 ZINC000473378410 567076603 /nfs/dbraw/zinc/07/66/03/567076603.db2.gz XENALJOEYYRWOZ-OAHLLOKOSA-N 0 1 389.228 3.420 20 0 GGADMN Cc1cccc(C[C@@H](NCc2nn(C)cc2I)C2CC2)c1 ZINC000453340205 567076706 /nfs/dbraw/zinc/07/67/06/567076706.db2.gz BNQVVHOTPCYWDU-MRXNPFEDSA-N 0 1 395.288 3.444 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000473381621 567076826 /nfs/dbraw/zinc/07/68/26/567076826.db2.gz YAVGNVPZXNATGM-ZIAGYGMSSA-N 0 1 389.323 3.066 20 0 GGADMN Cn1cc(I)c(CN[C@@H](Cc2ccccc2)C2CC2)n1 ZINC000453337744 567076879 /nfs/dbraw/zinc/07/68/79/567076879.db2.gz AYLVLSKNBUCOOX-HNNXBMFYSA-N 0 1 381.261 3.136 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000473381620 567076925 /nfs/dbraw/zinc/07/69/25/567076925.db2.gz YAVGNVPZXNATGM-UONOGXRCSA-N 0 1 389.323 3.066 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)C2(c3ccc(Br)cc3)CCC2)n[nH]1 ZINC000496645648 567077785 /nfs/dbraw/zinc/07/77/85/567077785.db2.gz ZZTAULQLYLRMBW-LLVKDONJSA-N 0 1 377.286 3.429 20 0 GGADMN CCC1(CN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)COC1 ZINC000453356115 567078169 /nfs/dbraw/zinc/07/81/69/567078169.db2.gz IJLFQVTUHBAYBD-LBPRGKRZSA-N 0 1 379.302 3.415 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cscc1Cl ZINC000635024906 567078345 /nfs/dbraw/zinc/07/83/45/567078345.db2.gz ASDVCZCHEMTLEV-ZDUSSCGKSA-N 0 1 383.926 3.355 20 0 GGADMN CN1CC2(C1)CCN(C(=O)CCCSc1ccc(Br)cc1)C2 ZINC000614039035 567078716 /nfs/dbraw/zinc/07/87/16/567078716.db2.gz KLEIOPHOIPDRFS-UHFFFAOYSA-N 0 1 383.355 3.486 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1ccc(Br)c(OC(F)(F)F)c1)C2 ZINC000614034310 567079161 /nfs/dbraw/zinc/07/91/61/567079161.db2.gz JAWFGMVRZCLAAK-UHFFFAOYSA-N 0 1 393.203 3.125 20 0 GGADMN CN1CC2(C1)CCN(C(=O)c1[nH]c3ccc(Br)cc3c1Cl)C2 ZINC000614039058 567079482 /nfs/dbraw/zinc/07/94/82/567079482.db2.gz LJTUZFLJDXTCQY-UHFFFAOYSA-N 0 1 382.689 3.362 20 0 GGADMN C[C@H]1CN(CCCNC(=O)C2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000496817590 567080785 /nfs/dbraw/zinc/08/07/85/567080785.db2.gz PCDMDUODKGHXDB-GJZGRUSLSA-N 0 1 395.341 3.096 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)C2(c3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000496817591 567080870 /nfs/dbraw/zinc/08/08/70/567080870.db2.gz PCDMDUODKGHXDB-HUUCEWRRSA-N 0 1 395.341 3.096 20 0 GGADMN CCCN(Cc1ccccc1Br)C[C@@H](O)COC[C@H]1CCCO1 ZINC000521818858 567081047 /nfs/dbraw/zinc/08/10/47/567081047.db2.gz NUKYSDZKGWGWHP-IAGOWNOFSA-N 0 1 386.330 3.218 20 0 GGADMN C[C@@]1(c2ccc(CNCc3ccc(Cl)cc3Cl)cc2)NC(=O)NC1=O ZINC000521833159 567081098 /nfs/dbraw/zinc/08/10/98/567081098.db2.gz TYKXGEYMHNEXNC-SFHVURJKSA-N 0 1 378.259 3.338 20 0 GGADMN Cc1nc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000545859518 567081634 /nfs/dbraw/zinc/08/16/34/567081634.db2.gz KDJCEAZSURDYTA-UHFFFAOYSA-N 0 1 397.287 3.246 20 0 GGADMN CC(C)(O)C(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453375758 567081609 /nfs/dbraw/zinc/08/16/09/567081609.db2.gz UHCLXEHQPMOKCH-CYBMUJFWSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1c([C@@H](C)NC[C@@H](O)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000453378681 567082006 /nfs/dbraw/zinc/08/20/06/567082006.db2.gz JFIJXALDMODITF-BDJLRTHQSA-N 0 1 379.302 3.150 20 0 GGADMN CS(=O)(=O)C1(CNCc2ccc(F)cc2Br)CCCCC1 ZINC000657656312 567082193 /nfs/dbraw/zinc/08/21/93/567082193.db2.gz JZWKNKKDVVMHIE-UHFFFAOYSA-N 0 1 378.307 3.425 20 0 GGADMN CN(CC(=O)NCc1cc(Cl)ccc1Br)[C@H]1CCSC1 ZINC000565605660 567082563 /nfs/dbraw/zinc/08/25/63/567082563.db2.gz YPRJTRPHERTUML-LBPRGKRZSA-N 0 1 377.735 3.156 20 0 GGADMN COc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)c(OC(F)F)c1 ZINC000657653932 567082620 /nfs/dbraw/zinc/08/26/20/567082620.db2.gz SCJJGNOIBUPTHC-UHFFFAOYSA-N 0 1 377.453 3.134 20 0 GGADMN Brc1cncc([C@@H](NCc2cnc(N3CCCC3)nc2)C2CC2)c1 ZINC000565612626 567082681 /nfs/dbraw/zinc/08/26/81/567082681.db2.gz MMYDLDKJIYUDNR-KRWDZBQOSA-N 0 1 388.313 3.475 20 0 GGADMN Cc1n[n-]c(=NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)s1 ZINC000521861226 567082902 /nfs/dbraw/zinc/08/29/02/567082902.db2.gz HVGLABCJBMVHCU-OAHLLOKOSA-N 0 1 379.917 3.098 20 0 GGADMN Cc1n[n-]c(=NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)s1 ZINC000521861226 567082908 /nfs/dbraw/zinc/08/29/08/567082908.db2.gz HVGLABCJBMVHCU-OAHLLOKOSA-N 0 1 379.917 3.098 20 0 GGADMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1Br ZINC000473472214 567082947 /nfs/dbraw/zinc/08/29/47/567082947.db2.gz JVROWTCCBLEGMY-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Cc1nc([C@H]2CCCN(c3ncnc4cc(F)c(Br)cc43)C2)n[nH]1 ZINC000545875152 567082955 /nfs/dbraw/zinc/08/29/55/567082955.db2.gz MTDQTQBJGOKDDC-JTQLQIEISA-N 0 1 391.248 3.342 20 0 GGADMN Cc1nnc([C@H]2CCCN(c3ncnc4cc(F)c(Br)cc43)C2)[nH]1 ZINC000545875152 567082958 /nfs/dbraw/zinc/08/29/58/567082958.db2.gz MTDQTQBJGOKDDC-JTQLQIEISA-N 0 1 391.248 3.342 20 0 GGADMN COc1sc(CNCC2(S(C)(=O)=O)CCCCC2)cc1Br ZINC000657656064 567082937 /nfs/dbraw/zinc/08/29/37/567082937.db2.gz HZQGISOINPKLHV-UHFFFAOYSA-N 0 1 396.372 3.356 20 0 GGADMN COc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)c(Br)c1 ZINC000657656318 567083019 /nfs/dbraw/zinc/08/30/19/567083019.db2.gz KGFOHSGSHXLABV-UHFFFAOYSA-N 0 1 390.343 3.295 20 0 GGADMN Cc1nc([C@@H]2CCCN(c3ncnc4cc(F)c(Br)cc43)C2)n[nH]1 ZINC000545875156 567083164 /nfs/dbraw/zinc/08/31/64/567083164.db2.gz MTDQTQBJGOKDDC-SNVBAGLBSA-N 0 1 391.248 3.342 20 0 GGADMN Cc1nnc([C@@H]2CCCN(c3ncnc4cc(F)c(Br)cc43)C2)[nH]1 ZINC000545875156 567083172 /nfs/dbraw/zinc/08/31/72/567083172.db2.gz MTDQTQBJGOKDDC-SNVBAGLBSA-N 0 1 391.248 3.342 20 0 GGADMN O=S(=O)(CCNCc1ccc(-c2ccc(Cl)cc2)o1)NCC1CCC1 ZINC000521861288 567083109 /nfs/dbraw/zinc/08/31/09/567083109.db2.gz KFZGRONBYQRXOM-UHFFFAOYSA-N 0 1 382.913 3.409 20 0 GGADMN CC1=CCN(CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000545868884 567083265 /nfs/dbraw/zinc/08/32/65/567083265.db2.gz DSDPGPJKXWAFTO-UHFFFAOYSA-N 0 1 390.281 3.085 20 0 GGADMN C[C@H](NCCOCC1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453381530 567083761 /nfs/dbraw/zinc/08/37/61/567083761.db2.gz BDKNZGGEOKKJJJ-NSHDSACASA-N 0 1 395.352 3.498 20 0 GGADMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000521886890 567084135 /nfs/dbraw/zinc/08/41/35/567084135.db2.gz QCNHPCFYYHOKGY-OAHLLOKOSA-N 0 1 376.678 3.416 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000473498472 567084880 /nfs/dbraw/zinc/08/48/80/567084880.db2.gz UKHRHFVQEGGYOF-AWEZNQCLSA-N 0 1 382.295 3.493 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000473498473 567085048 /nfs/dbraw/zinc/08/50/48/567085048.db2.gz UKHRHFVQEGGYOF-CQSZACIVSA-N 0 1 382.295 3.493 20 0 GGADMN CCc1ncc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)s1 ZINC000545891312 567085070 /nfs/dbraw/zinc/08/50/70/567085070.db2.gz VROIGFUUBIUXIS-CQSZACIVSA-N 0 1 376.507 3.416 20 0 GGADMN CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1Cl)N1CCN(C)CC1 ZINC000521888883 567085208 /nfs/dbraw/zinc/08/52/08/567085208.db2.gz NVLMQZIAHUULMD-INIZCTEOSA-N 0 1 387.355 3.065 20 0 GGADMN COc1ccc(Br)cc1C[C@H](CO)CN[C@@H](C)c1nccs1 ZINC000453389203 567085111 /nfs/dbraw/zinc/08/51/11/567085111.db2.gz WWMLHBLWRFCDON-RYUDHWBXSA-N 0 1 385.327 3.416 20 0 GGADMN O=S(=O)(Nc1ccc(OCCO)cc1)c1ccc(Cl)c(F)c1Cl ZINC000473485007 567085140 /nfs/dbraw/zinc/08/51/40/567085140.db2.gz VCHSNIQTVPKORM-UHFFFAOYSA-N 0 1 380.224 3.304 20 0 GGADMN CCc1ncc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)s1 ZINC000545890513 567085300 /nfs/dbraw/zinc/08/53/00/567085300.db2.gz LTSYLCQBKWTZSX-GOEBONIOSA-N 0 1 379.551 3.037 20 0 GGADMN CN(C(=O)C(=O)Nc1cscc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000635187549 567085527 /nfs/dbraw/zinc/08/55/27/567085527.db2.gz ABDBCXPWSJICCU-UHFFFAOYSA-N 0 1 397.850 3.215 20 0 GGADMN Cc1ccc(I)cc1NC(=O)c1ccc2cncn2c1 ZINC000585747482 567085563 /nfs/dbraw/zinc/08/55/63/567085563.db2.gz FRKPZSYXGPRISM-UHFFFAOYSA-N 0 1 377.185 3.500 20 0 GGADMN COc1ccc(Br)cc1C[C@H](CO)CN[C@H](C)c1nccs1 ZINC000453389197 567085647 /nfs/dbraw/zinc/08/56/47/567085647.db2.gz WWMLHBLWRFCDON-NEPJUHHUSA-N 0 1 385.327 3.416 20 0 GGADMN CN1c2ccc(Br)cc2N(C(=O)c2ncccc2O)CC1(C)C ZINC000473516386 567085845 /nfs/dbraw/zinc/08/58/45/567085845.db2.gz BKRNKNRTKZIRLV-UHFFFAOYSA-N 0 1 376.254 3.425 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000565651121 567085966 /nfs/dbraw/zinc/08/59/66/567085966.db2.gz KKFRILQNSGMPPH-HNNXBMFYSA-N 0 1 379.302 3.128 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)s1 ZINC000521925470 567086309 /nfs/dbraw/zinc/08/63/09/567086309.db2.gz QROJUPBPGNCCSC-WCQYABFASA-N 0 1 393.372 3.066 20 0 GGADMN Cc1nc(CC(=O)Nc2nc(C)c(Cc3cccc(Cl)c3F)s2)n[nH]1 ZINC000614110491 567087657 /nfs/dbraw/zinc/08/76/57/567087657.db2.gz SQUDFZRUOBRVQA-UHFFFAOYSA-N 0 1 379.848 3.443 20 0 GGADMN OC[C@@H](CNCc1c(Br)cncc1Br)CC1CC1 ZINC000657715235 567087817 /nfs/dbraw/zinc/08/78/17/567087817.db2.gz KXCZQCOFLQVMRU-SNVBAGLBSA-N 0 1 378.108 3.105 20 0 GGADMN O=C([O-])c1cnn(C2CC[NH+](Cc3ccc(F)cc3Br)CC2)c1 ZINC000565662831 567088191 /nfs/dbraw/zinc/08/81/91/567088191.db2.gz NUEQKAYQSCZNGF-UHFFFAOYSA-N 0 1 382.233 3.320 20 0 GGADMN OC[C@@H](CNCc1ncc(Br)cc1Br)CC1CC1 ZINC000657715038 567088365 /nfs/dbraw/zinc/08/83/65/567088365.db2.gz IRWIUQQSDPAHPF-SNVBAGLBSA-N 0 1 378.108 3.105 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000614131963 567088648 /nfs/dbraw/zinc/08/86/48/567088648.db2.gz GOOYQSOJOOEDBX-LBPRGKRZSA-N 0 1 399.304 3.222 20 0 GGADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000497324716 567088656 /nfs/dbraw/zinc/08/86/56/567088656.db2.gz PJXQKWARMRCOET-SMDDNHRTSA-N 0 1 389.334 3.073 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000497324713 567088764 /nfs/dbraw/zinc/08/87/64/567088764.db2.gz PJXQKWARMRCOET-BXUZGUMPSA-N 0 1 389.334 3.073 20 0 GGADMN COC(=O)c1ccc(CNCCN2Cc3ccccc3C2)c(Br)c1 ZINC000585766913 567089057 /nfs/dbraw/zinc/08/90/57/567089057.db2.gz AGMWRASQSJNWCE-UHFFFAOYSA-N 0 1 389.293 3.341 20 0 GGADMN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000545945757 567089926 /nfs/dbraw/zinc/08/99/26/567089926.db2.gz ORHMUGNVVCUCGY-LBPRGKRZSA-N 0 1 384.270 3.349 20 0 GGADMN CCc1nc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cs1 ZINC000521971203 567090021 /nfs/dbraw/zinc/09/00/21/567090021.db2.gz BKSGKPFFYXMYBS-UHFFFAOYSA-N 0 1 380.413 3.251 20 0 GGADMN Cc1cc(N2CCC[C@H](N3CCC(CCO)CC3)C2=O)ccc1Br ZINC000545930336 567090823 /nfs/dbraw/zinc/09/08/23/567090823.db2.gz LXMFRCBRMAZEJU-SFHVURJKSA-N 0 1 395.341 3.347 20 0 GGADMN Cc1cc(Br)c(CN[C@@H]2CCCN(Cc3ccccn3)C2=O)s1 ZINC000453561941 567090948 /nfs/dbraw/zinc/09/09/48/567090948.db2.gz ALQZYSSMQKZQFV-OAHLLOKOSA-N 0 1 394.338 3.495 20 0 GGADMN OCCN(Cc1ccc(Br)s1)Cc1ccccc1-n1cncn1 ZINC000683001843 567091245 /nfs/dbraw/zinc/09/12/45/567091245.db2.gz YXTXINSPEQOHMI-UHFFFAOYSA-N 0 1 393.310 3.086 20 0 GGADMN C[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000521995332 567092127 /nfs/dbraw/zinc/09/21/27/567092127.db2.gz KYEFMHJJIRZRBA-GXTWGEPZSA-N 0 1 390.281 3.416 20 0 GGADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2sc(C)cc2Br)cn1 ZINC000453579048 567092824 /nfs/dbraw/zinc/09/28/24/567092824.db2.gz AZFUTLJFERVLMN-CJNGLKHVSA-N 0 1 397.342 3.145 20 0 GGADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000635318790 567092842 /nfs/dbraw/zinc/09/28/42/567092842.db2.gz YJMVNCYMYPNDBT-AWEZNQCLSA-N 0 1 396.203 3.391 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000497384662 567093280 /nfs/dbraw/zinc/09/32/80/567093280.db2.gz KUCGALWYXRXAGP-WDEREUQCSA-N 0 1 379.810 3.278 20 0 GGADMN Cc1cc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)cs1 ZINC000635372802 567094118 /nfs/dbraw/zinc/09/41/18/567094118.db2.gz KCAIXKOPUUIWLX-UHFFFAOYSA-N 0 1 375.519 3.183 20 0 GGADMN COC(=O)[C@H](NS(=O)(=O)c1csc2ccccc21)c1ccccc1F ZINC000586761735 567094112 /nfs/dbraw/zinc/09/41/12/567094112.db2.gz YUJVOBLVAQDTIE-MRXNPFEDSA-N 0 1 379.434 3.233 20 0 GGADMN CC1CCN([C@@H](CNS(=O)(=O)c2cccc(N)c2)c2cccs2)CC1 ZINC000545971880 567094226 /nfs/dbraw/zinc/09/42/26/567094226.db2.gz ZUPHLLBCGVFOHF-KRWDZBQOSA-N 0 1 379.551 3.082 20 0 GGADMN C[C@]1(CNCc2csc(-c3cccc(Br)c3)n2)CCC(=O)N1 ZINC000453584422 567095138 /nfs/dbraw/zinc/09/51/38/567095138.db2.gz DYSVIMLPYUBLTQ-MRXNPFEDSA-N 0 1 380.311 3.331 20 0 GGADMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ncc(I)s1 ZINC000586777595 567095866 /nfs/dbraw/zinc/09/58/66/567095866.db2.gz SBKBTDPOHWQZLE-CMPLNLGQSA-N 0 1 388.274 3.002 20 0 GGADMN C[C@H](c1ccccc1)[C@H](CO)NCc1ncc(I)s1 ZINC000586777597 567096234 /nfs/dbraw/zinc/09/62/34/567096234.db2.gz SBKBTDPOHWQZLE-PWSUYJOCSA-N 0 1 388.274 3.002 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1 ZINC000522053752 567096465 /nfs/dbraw/zinc/09/64/65/567096465.db2.gz 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O=C(Nc1ccc2[nH]cnc2c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000522152633 567101709 /nfs/dbraw/zinc/10/17/09/567101709.db2.gz SWBROUPNGWAPDO-UHFFFAOYSA-N 0 1 383.205 3.419 20 0 GGADMN CN(C)c1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)nc1 ZINC000522152816 567101882 /nfs/dbraw/zinc/10/18/82/567101882.db2.gz ODOVBUCBWWAULY-UHFFFAOYSA-N 0 1 387.237 3.004 20 0 GGADMN CC(C)COC[C@@H](NS(=O)(=O)c1ccc(Br)o1)c1ccco1 ZINC000546071631 567102110 /nfs/dbraw/zinc/10/21/10/567102110.db2.gz SWVXIURZPBXWCF-LLVKDONJSA-N 0 1 392.271 3.327 20 0 GGADMN O=C(NCCOc1cccc(Br)c1)c1[nH]nc2c1CCCCC2 ZINC000473776430 567102937 /nfs/dbraw/zinc/10/29/37/567102937.db2.gz CKAYUEFECYTIGZ-UHFFFAOYSA-N 0 1 378.270 3.250 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000497522447 567103683 /nfs/dbraw/zinc/10/36/83/567103683.db2.gz NVEYMMYUOPFUBB-KBPBESRZSA-N 0 1 389.359 3.156 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@H]1COc2ccccc21 ZINC000522202478 567105687 /nfs/dbraw/zinc/10/56/87/567105687.db2.gz 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567107703 /nfs/dbraw/zinc/10/77/03/567107703.db2.gz QCOSCLPVZUAVRW-UHFFFAOYSA-N 0 1 376.283 3.249 20 0 GGADMN Cc1nc(-c2ccc(CNC(=O)NCc3n[nH]c(C(C)C)n3)s2)cs1 ZINC000565877930 567108009 /nfs/dbraw/zinc/10/80/09/567108009.db2.gz KUPMOBVJKDLFPV-UHFFFAOYSA-N 0 1 376.511 3.421 20 0 GGADMN O=C(CCCc1nn[nH]n1)N(Cc1ccccc1Br)C1CCCC1 ZINC000635705798 567109045 /nfs/dbraw/zinc/10/90/45/567109045.db2.gz ZKAKKYJJUNBIMT-UHFFFAOYSA-N 0 1 392.301 3.256 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cnc2nccnc2c1 ZINC000546145844 567109527 /nfs/dbraw/zinc/10/95/27/567109527.db2.gz VXRIRUQJSKJACP-UHFFFAOYSA-N 0 1 379.601 3.399 20 0 GGADMN O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000522279294 567110341 /nfs/dbraw/zinc/11/03/41/567110341.db2.gz AMHYTXOLRIPREL-SFHVURJKSA-N 0 1 378.925 3.424 20 0 GGADMN O=C(CCCc1nn[nH]n1)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000635746412 567110623 /nfs/dbraw/zinc/11/06/23/567110623.db2.gz DASQBFMAYMURLL-UHFFFAOYSA-N 0 1 398.172 3.409 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)s1 ZINC000614433568 567110979 /nfs/dbraw/zinc/11/09/79/567110979.db2.gz WNVOCJBXVSCNMD-CYBMUJFWSA-N 0 1 387.343 3.146 20 0 GGADMN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccccc1I ZINC000546167608 567111284 /nfs/dbraw/zinc/11/12/84/567111284.db2.gz XAOBBPWOVJLDPU-KCPJHIHWSA-N 0 1 375.250 3.136 20 0 GGADMN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccccc1I ZINC000546167602 567111250 /nfs/dbraw/zinc/11/12/50/567111250.db2.gz XAOBBPWOVJLDPU-BYCMXARLSA-N 0 1 375.250 3.136 20 0 GGADMN C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCN(C2CC2)C1 ZINC000453772295 567111463 /nfs/dbraw/zinc/11/14/63/567111463.db2.gz WXRFKVIWZCSHML-SNVBAGLBSA-N 0 1 388.270 3.014 20 0 GGADMN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CCN(C2CC2)C1 ZINC000453769133 567111526 /nfs/dbraw/zinc/11/15/26/567111526.db2.gz OGPSDRGZFDJKTM-JTQLQIEISA-N 0 1 388.270 3.014 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1Br ZINC000614437737 567111900 /nfs/dbraw/zinc/11/19/00/567111900.db2.gz 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XGJZWDZYIFHSHH-DLBZAZTESA-N 0 1 389.297 3.088 20 0 GGADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(F)c(C)c1 ZINC000473940418 567117709 /nfs/dbraw/zinc/11/77/09/567117709.db2.gz LQDLDPPCCJHROU-ZDUSSCGKSA-N 0 1 391.873 3.350 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCC2)c(Cl)c1Cl ZINC000473940632 567117810 /nfs/dbraw/zinc/11/78/10/567117810.db2.gz OXWQINTWXAOMDA-NSHDSACASA-N 0 1 381.325 3.155 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000614520829 567117892 /nfs/dbraw/zinc/11/78/92/567117892.db2.gz IBDNRHBDBKJLKF-CQSZACIVSA-N 0 1 399.304 3.081 20 0 GGADMN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)[C@@H](O)C(F)(F)F ZINC000473941863 567118115 /nfs/dbraw/zinc/11/81/15/567118115.db2.gz PQYUYKKASARSHP-LHLIQPBNSA-N 0 1 384.178 3.113 20 0 GGADMN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1sccc1Br ZINC000522435134 567118139 /nfs/dbraw/zinc/11/81/39/567118139.db2.gz DRAVPUHMZJOFLJ-LBPRGKRZSA-N 0 1 395.388 3.444 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1Br ZINC000473950652 567118655 /nfs/dbraw/zinc/11/86/55/567118655.db2.gz QNXIDDVQEHAVFW-OCCSQVGLSA-N 0 1 389.359 3.156 20 0 GGADMN O=C1[C@H](N2CCC([C@@H]3CCOC3)CC2)CCN1c1cccc(Br)c1 ZINC000683369626 567118721 /nfs/dbraw/zinc/11/87/21/567118721.db2.gz RNDGIGRSBJQAFA-CRAIPNDOSA-N 0 1 393.325 3.303 20 0 GGADMN COc1ccc([C@@H](C)NCCNC(=O)c2ccc(Br)cn2)c(F)c1 ZINC000658093930 567121782 /nfs/dbraw/zinc/12/17/82/567121782.db2.gz ZWIHOWODOKDCKP-LLVKDONJSA-N 0 1 396.260 3.072 20 0 GGADMN Cc1cc(F)cc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)c1 ZINC000546325297 567122601 /nfs/dbraw/zinc/12/26/01/567122601.db2.gz POJSWXHJUTWPLM-UHFFFAOYSA-N 0 1 387.845 3.378 20 0 GGADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1cn[nH]c1C ZINC000636066431 567123567 /nfs/dbraw/zinc/12/35/67/567123567.db2.gz CISMYYAJMIJAAF-HNNXBMFYSA-N 0 1 394.313 3.334 20 0 GGADMN COc1cc(Br)ccc1CCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000566073091 567124012 /nfs/dbraw/zinc/12/40/12/567124012.db2.gz CVIGKLPRGBRAKR-CQSZACIVSA-N 0 1 388.327 3.282 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000497783670 567124321 /nfs/dbraw/zinc/12/43/21/567124321.db2.gz YRJQVNJTLZCQKH-CRAIPNDOSA-N 0 1 397.357 3.101 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000497783674 567124593 /nfs/dbraw/zinc/12/45/93/567124593.db2.gz YRJQVNJTLZCQKH-YJBOKZPZSA-N 0 1 397.357 3.101 20 0 GGADMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000658127330 567124963 /nfs/dbraw/zinc/12/49/63/567124963.db2.gz VUOKTJUWNLVMSV-JTQLQIEISA-N 0 1 376.259 3.060 20 0 GGADMN COCC[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000614591899 567125115 /nfs/dbraw/zinc/12/51/15/567125115.db2.gz JOMRXJAFIQRVTA-SMDDNHRTSA-N 0 1 383.279 3.425 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCC(c2nncn2C2CC2)CC1 ZINC000522671645 567125224 /nfs/dbraw/zinc/12/52/24/567125224.db2.gz XSZKSWUHEAWCKT-UHFFFAOYSA-N 0 1 391.269 3.101 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000588311399 567125360 /nfs/dbraw/zinc/12/53/60/567125360.db2.gz UZSSVPSAKIWPMH-DLBZAZTESA-N 0 1 380.330 3.288 20 0 GGADMN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000588310801 567125426 /nfs/dbraw/zinc/12/54/26/567125426.db2.gz CVQFIOOXPGHGPS-IRXDYDNUSA-N 0 1 378.314 3.042 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000588311400 567125433 /nfs/dbraw/zinc/12/54/33/567125433.db2.gz UZSSVPSAKIWPMH-IAGOWNOFSA-N 0 1 380.330 3.288 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000432032162 567125461 /nfs/dbraw/zinc/12/54/61/567125461.db2.gz NHYVTIRRWAUHEJ-UHFFFAOYSA-N 0 1 380.945 3.277 20 0 GGADMN COc1ccc(N2C[C@H](N[C@H](C)c3ccc(Br)cn3)CC2=O)cc1 ZINC000658154483 567125617 /nfs/dbraw/zinc/12/56/17/567125617.db2.gz HZJJEZMNWBKHJH-TZMCWYRMSA-N 0 1 390.281 3.309 20 0 GGADMN Cc1c([C@H](C)N[C@H](C)C2(CO)CC2)nnn1-c1cccc(Br)c1 ZINC000658158764 567125714 /nfs/dbraw/zinc/12/57/14/567125714.db2.gz DPWFDEWEVACXTP-WCQYABFASA-N 0 1 379.302 3.150 20 0 GGADMN COc1ccc(N2C[C@H](N[C@@H](C)c3cncc(Br)c3)CC2=O)cc1 ZINC000658153092 567125823 /nfs/dbraw/zinc/12/58/23/567125823.db2.gz DGOMJQVUKQRCRS-SWLSCSKDSA-N 0 1 390.281 3.309 20 0 GGADMN Cc1c([C@@H](C)N[C@H](C)C2(CO)CC2)nnn1-c1cccc(Br)c1 ZINC000658158763 567126514 /nfs/dbraw/zinc/12/65/14/567126514.db2.gz DPWFDEWEVACXTP-DGCLKSJQSA-N 0 1 379.302 3.150 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2ccc(Br)c(Cl)c2F)C1 ZINC000683481493 567127401 /nfs/dbraw/zinc/12/74/01/567127401.db2.gz TYYPSDIHKHSQSH-SNVBAGLBSA-N 0 1 393.684 3.082 20 0 GGADMN COC1CCN(CCNC(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000683493768 567127548 /nfs/dbraw/zinc/12/75/48/567127548.db2.gz UCMBHMXZLOPHIY-UHFFFAOYSA-N 0 1 393.684 3.082 20 0 GGADMN CCOC(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)o1 ZINC000614629532 567128122 /nfs/dbraw/zinc/12/81/22/567128122.db2.gz CIGBQBNATDJSCN-UHFFFAOYSA-N 0 1 379.825 3.491 20 0 GGADMN C[C@@H]1COCCN1CCN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000497837303 567128160 /nfs/dbraw/zinc/12/81/60/567128160.db2.gz SFQHOJIBTQLOFQ-RDTXWAMCSA-N 0 1 379.298 3.442 20 0 GGADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614629822 567128590 /nfs/dbraw/zinc/12/85/90/567128590.db2.gz XLCKPJVGOJRAMM-UHFFFAOYSA-N 0 1 388.867 3.371 20 0 GGADMN COc1cc(CN[C@H]2CSc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000522757302 567128730 /nfs/dbraw/zinc/12/87/30/567128730.db2.gz YMRXWPXCTCCBKP-AWEZNQCLSA-N 0 1 378.881 3.149 20 0 GGADMN Fc1ccc(-c2cc(-c3nc(Cn4cc(Br)cn4)no3)[nH]n2)cc1 ZINC000546443236 567128872 /nfs/dbraw/zinc/12/88/72/567128872.db2.gz SPDVVTBEBRHDPW-UHFFFAOYSA-N 0 1 389.188 3.273 20 0 GGADMN Cc1cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c2cc(Br)ccc2n1 ZINC000566133513 567129877 /nfs/dbraw/zinc/12/98/77/567129877.db2.gz ZUWVFAXDBRMQPF-LLVKDONJSA-N 0 1 386.253 3.054 20 0 GGADMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c2cc(Br)ccc2n1 ZINC000566133514 567129940 /nfs/dbraw/zinc/12/99/40/567129940.db2.gz ZUWVFAXDBRMQPF-NSHDSACASA-N 0 1 386.253 3.054 20 0 GGADMN O=C(c1cc2ccc(Br)cc2s1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000566132928 567130423 /nfs/dbraw/zinc/13/04/23/567130423.db2.gz LTEQSFMPYBSFQD-JTQLQIEISA-N 0 1 377.267 3.412 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000474075115 567130712 /nfs/dbraw/zinc/13/07/12/567130712.db2.gz USCNEPLZSDZZPT-OAHLLOKOSA-N 0 1 376.444 3.263 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474095597 567132215 /nfs/dbraw/zinc/13/22/15/567132215.db2.gz HTQZTYADVOAYIZ-LSDHHAIUSA-N 0 1 379.291 3.499 20 0 GGADMN O=C(NCC1(c2ccc(Br)s2)CCC1)[C@@H]1CCCc2n[nH]nc21 ZINC000614680756 567132345 /nfs/dbraw/zinc/13/23/45/567132345.db2.gz ZOAPCQRMBBFKGK-SNVBAGLBSA-N 0 1 395.326 3.287 20 0 GGADMN CCc1onc(-c2ccc(Br)cc2)c1C(=O)N1CCCN(C)CC1 ZINC000474083809 567132605 /nfs/dbraw/zinc/13/26/05/567132605.db2.gz PRPRPUYGUYHCDF-UHFFFAOYSA-N 0 1 392.297 3.444 20 0 GGADMN CCOC[C@@H](N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000474091810 567132624 /nfs/dbraw/zinc/13/26/24/567132624.db2.gz YOAANWRHVUBBPG-HUUCEWRRSA-N 0 1 390.343 3.318 20 0 GGADMN O=S(=O)(CCN[C@H]1CCc2cc(Br)ccc21)c1ccccc1 ZINC000588691792 567133759 /nfs/dbraw/zinc/13/37/59/567133759.db2.gz ROSUENVGRMEDBK-KRWDZBQOSA-N 0 1 380.307 3.500 20 0 GGADMN Cc1ccc(Br)c(S(=O)(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000497935377 567134344 /nfs/dbraw/zinc/13/43/44/567134344.db2.gz XLXQXKNOBBSLMG-UHFFFAOYSA-N 0 1 389.359 3.252 20 0 GGADMN COc1ccc(Cl)cc1CS(=O)(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000546540260 567135329 /nfs/dbraw/zinc/13/53/29/567135329.db2.gz JNGFOCRLFCJPSY-UHFFFAOYSA-N 0 1 383.901 3.090 20 0 GGADMN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432182774 567135441 /nfs/dbraw/zinc/13/54/41/567135441.db2.gz RAEKDFHIHZPPSJ-UHFFFAOYSA-N 0 1 378.837 3.299 20 0 GGADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000546536694 567135714 /nfs/dbraw/zinc/13/57/14/567135714.db2.gz RMLJITDNPILQJE-DEOSSOPVSA-N 0 1 376.459 3.021 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CCc2cc(Cl)cc(Cl)c2)C1 ZINC000497948915 567136160 /nfs/dbraw/zinc/13/61/60/567136160.db2.gz GJOCAQXMTJYDDY-CABCVRRESA-N 0 1 383.279 3.341 20 0 GGADMN C[C@H]1CC[C@H](NC(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000474120433 567136936 /nfs/dbraw/zinc/13/69/36/567136936.db2.gz YCQFRDWGPVCLKQ-ONGXEEELSA-N 0 1 396.228 3.051 20 0 GGADMN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1csc2ccc(Cl)cc21 ZINC000432193058 567137046 /nfs/dbraw/zinc/13/70/46/567137046.db2.gz RASFXIAOAMCLAS-UHFFFAOYSA-N 0 1 391.865 3.331 20 0 GGADMN C[C@H]1CC[C@@H](NC(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000474120424 567137685 /nfs/dbraw/zinc/13/76/85/567137685.db2.gz YCQFRDWGPVCLKQ-GXSJLCMTSA-N 0 1 396.228 3.051 20 0 GGADMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000497978843 567138700 /nfs/dbraw/zinc/13/87/00/567138700.db2.gz OYQPWBDXFJOKND-PSASIEDQSA-N 0 1 399.740 3.339 20 0 GGADMN O=S(=O)([N-][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1sccc1Cl ZINC000658391535 567138921 /nfs/dbraw/zinc/13/89/21/567138921.db2.gz MWFZMRYFFSFHJZ-HZMBPMFUSA-N 0 1 392.880 3.104 20 0 GGADMN O[C@@H](CNCc1csc(Cl)c1Cl)COc1ccc2c(c1)OCO2 ZINC000432238531 567139785 /nfs/dbraw/zinc/13/97/85/567139785.db2.gz RZAUPSDTRULFOU-JTQLQIEISA-N 0 1 376.261 3.313 20 0 GGADMN CC1=CCN(CCNC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000546576614 567139850 /nfs/dbraw/zinc/13/98/50/567139850.db2.gz CPXCWEXECGMVEU-UHFFFAOYSA-N 0 1 389.297 3.017 20 0 GGADMN CN(C)S(=O)(=O)CCCN(Cc1ccccc1Br)C(C)(C)C ZINC000474150323 567139965 /nfs/dbraw/zinc/13/99/65/567139965.db2.gz AJFHGUHTNJOUIS-UHFFFAOYSA-N 0 1 391.375 3.331 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000614813017 567141394 /nfs/dbraw/zinc/14/13/94/567141394.db2.gz DNWUCCQWWQWJLO-RYUDHWBXSA-N 0 1 395.388 3.157 20 0 GGADMN O=C(N=c1ncn(Cc2ccccc2)[nH]1)c1cc2c(cccc2Br)[nH]1 ZINC000523028122 567142925 /nfs/dbraw/zinc/14/29/25/567142925.db2.gz CMMMCHAWEHDHJF-UHFFFAOYSA-N 0 1 396.248 3.244 20 0 GGADMN O=S(=O)([N-][C@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000658403180 567142902 /nfs/dbraw/zinc/14/29/02/567142902.db2.gz ZKVQJIBZRIWFMV-JTQLQIEISA-N 0 1 382.835 3.312 20 0 GGADMN O=S(=O)([N-][C@@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1C(F)(F)F ZINC000658403181 567143091 /nfs/dbraw/zinc/14/30/91/567143091.db2.gz ZKVQJIBZRIWFMV-SNVBAGLBSA-N 0 1 382.835 3.312 20 0 GGADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000614856852 567143607 /nfs/dbraw/zinc/14/36/07/567143607.db2.gz MNIVOKYELAXKIQ-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN CNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2OC)ccc1Cl ZINC000614855538 567143691 /nfs/dbraw/zinc/14/36/91/567143691.db2.gz YDFHOWWKABDDCD-UHFFFAOYSA-N 0 1 389.260 3.162 20 0 GGADMN CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cn2)cc1Cl ZINC000546628405 567144160 /nfs/dbraw/zinc/14/41/60/567144160.db2.gz UCPIMFPBPOFWTC-UHFFFAOYSA-N 0 1 397.909 3.385 20 0 GGADMN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C)C[C@H]2C(C)C)c(Br)c1 ZINC000523132550 567144778 /nfs/dbraw/zinc/14/47/78/567144778.db2.gz HMCWUWCGWHNEEF-HOCLYGCPSA-N 0 1 383.330 3.323 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N(C)Cc2cccc(Br)c2)C[C@@H](C)O1 ZINC000523136868 567144920 /nfs/dbraw/zinc/14/49/20/567144920.db2.gz QHCCFYWVBBZATH-HUUCEWRRSA-N 0 1 398.345 3.090 20 0 GGADMN COCC[C@]1(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCOC1 ZINC000683678879 567145480 /nfs/dbraw/zinc/14/54/80/567145480.db2.gz DXCFQLJOMQCKPG-HNNXBMFYSA-N 0 1 380.794 3.083 20 0 GGADMN CN(C(=O)C(=O)Nc1ccsc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000454113796 567145741 /nfs/dbraw/zinc/14/57/41/567145741.db2.gz WVIKONZBWYNWHC-UHFFFAOYSA-N 0 1 397.850 3.215 20 0 GGADMN Cc1nnc(SCC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)[nH]1 ZINC000498040989 567145914 /nfs/dbraw/zinc/14/59/14/567145914.db2.gz MDGKXEHYHWLYRX-ZDUSSCGKSA-N 0 1 395.326 3.059 20 0 GGADMN Cc1n[nH]c(SCC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)n1 ZINC000498040989 567145917 /nfs/dbraw/zinc/14/59/17/567145917.db2.gz MDGKXEHYHWLYRX-ZDUSSCGKSA-N 0 1 395.326 3.059 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000498055697 567146640 /nfs/dbraw/zinc/14/66/40/567146640.db2.gz QIFQIAFSZGRDNH-UHFFFAOYSA-N 0 1 377.257 3.376 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(Cl)cc1Br ZINC000474205814 567146850 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COCCOCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000683732580 567148402 /nfs/dbraw/zinc/14/84/02/567148402.db2.gz WHLAORPTSGHVJI-UHFFFAOYSA-N 0 1 385.869 3.312 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000474215857 567148395 /nfs/dbraw/zinc/14/83/95/567148395.db2.gz KKKDPGPJILLHON-ZIAGYGMSSA-N 0 1 387.351 3.476 20 0 GGADMN CC(C)(C)CCN1CCN(Cc2ncc(I)s2)CC1 ZINC000566319687 567149037 /nfs/dbraw/zinc/14/90/37/567149037.db2.gz CKZDHTSOTDQKMX-UHFFFAOYSA-N 0 1 393.338 3.302 20 0 GGADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cn2cccn2)c1 ZINC000683731320 567149093 /nfs/dbraw/zinc/14/90/93/567149093.db2.gz GFJGBZBVCWKDAB-UHFFFAOYSA-N 0 1 377.853 3.394 20 0 GGADMN Cc1nc(CC(=O)N[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)n[nH]1 ZINC000614942254 567149106 /nfs/dbraw/zinc/14/91/06/567149106.db2.gz IUZSIRMDSSHWMR-CQSZACIVSA-N 0 1 388.269 3.093 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000474219812 567149355 /nfs/dbraw/zinc/14/93/55/567149355.db2.gz 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Cc1cccc(Br)c1C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615085783 567158094 /nfs/dbraw/zinc/15/80/94/567158094.db2.gz AKKSJSQZGRBCGG-AWEZNQCLSA-N 0 1 381.314 3.083 20 0 GGADMN CCOC(=O)[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(Br)o1 ZINC000546781586 567159236 /nfs/dbraw/zinc/15/92/36/567159236.db2.gz PNNFGGXBNNGYGL-SNVBAGLBSA-N 0 1 396.303 3.078 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)NCc2cc(OC)ccc2Br)C[C@@H]1C ZINC000498222168 567159111 /nfs/dbraw/zinc/15/91/11/567159111.db2.gz QSQCJWVWZGBTMH-QWHCGFSZSA-N 0 1 384.318 3.082 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC[C@@H](SC)C2)CC1 ZINC000454268980 567159996 /nfs/dbraw/zinc/15/99/96/567159996.db2.gz QCYBZYKVQZHSJO-OAHLLOKOSA-N 0 1 382.961 3.451 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000589153658 567160336 /nfs/dbraw/zinc/16/03/36/567160336.db2.gz SUWCXXNRVGLLDN-LBPRGKRZSA-N 0 1 389.721 3.459 20 0 GGADMN CC[C@H](C[C@H](C)CO)NCc1ncc(Br)cc1Br ZINC000474346658 567160465 /nfs/dbraw/zinc/16/04/65/567160465.db2.gz CNMOVXOBKQGJHC-GXSJLCMTSA-N 0 1 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Cc1cc(CC(C)(C)NC(=O)[C@@H]2CCCc3n[nH]nc32)ccc1Br ZINC000615198305 567169586 /nfs/dbraw/zinc/16/95/86/567169586.db2.gz CDSKOQUOSAMZEK-CYBMUJFWSA-N 0 1 391.313 3.433 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000636941523 567170881 /nfs/dbraw/zinc/17/08/81/567170881.db2.gz BHKYTAFDXSTLLH-QFYYESIMSA-N 0 1 385.295 3.379 20 0 GGADMN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1cc(F)cc(Cl)c1O ZINC000474437056 567171326 /nfs/dbraw/zinc/17/13/26/567171326.db2.gz XMVAPHBNMLSPLD-UHFFFAOYSA-N 0 1 399.856 3.126 20 0 GGADMN CC[C@H]1CCc2nc(NC(=O)c3ccccc3NS(C)(=O)=O)sc2C1 ZINC000523820043 567172533 /nfs/dbraw/zinc/17/25/33/567172533.db2.gz SPVDIDQSDIQCBE-NSHDSACASA-N 0 1 379.507 3.282 20 0 GGADMN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1[nH]nc2c1CCCCC2 ZINC000566626194 567173585 /nfs/dbraw/zinc/17/35/85/567173585.db2.gz CNJQLGJCIHRFSL-OAHLLOKOSA-N 0 1 396.260 3.044 20 0 GGADMN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000684048811 567173698 /nfs/dbraw/zinc/17/36/98/567173698.db2.gz HJVGFRMQKBVSCS-LBPRGKRZSA-N 0 1 385.917 3.074 20 0 GGADMN CN1CCN(c2ccc(NCc3c(F)cccc3Br)cn2)CC1 ZINC000474468016 567174129 /nfs/dbraw/zinc/17/41/29/567174129.db2.gz CUVAYEDHVNLCSE-UHFFFAOYSA-N 0 1 379.277 3.347 20 0 GGADMN CC[C@@H](NCc1cc(Br)c2c(c1)OCCO2)[C@H](O)C(F)(F)F ZINC000498380566 567175121 /nfs/dbraw/zinc/17/51/21/567175121.db2.gz KIAYJDAJURHLLH-MFKMUULPSA-N 0 1 384.192 3.012 20 0 GGADMN COC[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000432639345 567176103 /nfs/dbraw/zinc/17/61/03/567176103.db2.gz WIONCTKWKIELAM-HJSHSUPBSA-N 0 1 389.323 3.343 20 0 GGADMN Cc1csc2nc(CN[C@H](c3cccs3)C3(CO)CCC3)cc(=O)n12 ZINC000566660453 567176976 /nfs/dbraw/zinc/17/69/76/567176976.db2.gz IMYBCUWWIDFGPX-MRXNPFEDSA-N 0 1 375.519 3.119 20 0 GGADMN C[C@H](NCc1ccc(CC(N)=O)cc1)c1ccccc1I ZINC000589344775 567176939 /nfs/dbraw/zinc/17/69/39/567176939.db2.gz DJVCFKSTEXBPLZ-LBPRGKRZSA-N 0 1 394.256 3.170 20 0 GGADMN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC2(CCOCC2)O1 ZINC000684099764 567178572 /nfs/dbraw/zinc/17/85/72/567178572.db2.gz YGEPMCROECDKKL-KGLIPLIRSA-N 0 1 390.307 3.003 20 0 GGADMN C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccc(Br)cn1 ZINC000566687190 567179212 /nfs/dbraw/zinc/17/92/12/567179212.db2.gz XEBIXVQCYOAGFB-WMLDXEAASA-N 0 1 376.298 3.400 20 0 GGADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NCCN1CC=CCC1 ZINC000474560308 567179396 /nfs/dbraw/zinc/17/93/96/567179396.db2.gz SAEIUUKNYQTUHY-ZDUSSCGKSA-N 0 1 384.293 3.080 20 0 GGADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000474575465 567179658 /nfs/dbraw/zinc/17/96/58/567179658.db2.gz MLLOVCSMQBZFMM-LBPRGKRZSA-N 0 1 395.750 3.254 20 0 GGADMN C[C@H](NS(=O)(=O)c1cccc(Br)c1)[C@H](c1ccccc1)N(C)C ZINC000474572344 567179980 /nfs/dbraw/zinc/17/99/80/567179980.db2.gz DECXEIUEPZASMC-SUMWQHHRSA-N 0 1 397.338 3.419 20 0 GGADMN Cc1nn(C)c(CN[C@H]2CCN(c3ccc(F)cc3F)C2)c1Br ZINC000684109789 567180094 /nfs/dbraw/zinc/18/00/94/567180094.db2.gz IPHBGDICHUMGIA-LBPRGKRZSA-N 0 1 385.256 3.138 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000454513735 567180307 /nfs/dbraw/zinc/18/03/07/567180307.db2.gz RAXBLFRGPPQHAZ-UHFFFAOYSA-N 0 1 397.361 3.295 20 0 GGADMN O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cccc(Br)c1O ZINC000615344827 567180460 /nfs/dbraw/zinc/18/04/60/567180460.db2.gz VVVOQOJASMEPIZ-JTQLQIEISA-N 0 1 395.219 3.159 20 0 GGADMN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1ccccc1)N(C)C ZINC000474580578 567180715 /nfs/dbraw/zinc/18/07/15/567180715.db2.gz YITSTLUFLRUXOU-SUMWQHHRSA-N 0 1 397.338 3.419 20 0 GGADMN O[C@H](COc1cc(F)cc(Br)c1)CN1CCCc2occc2C1 ZINC000566702664 567181195 /nfs/dbraw/zinc/18/11/95/567181195.db2.gz JGONPCQFOSWVEZ-HNNXBMFYSA-N 0 1 384.245 3.369 20 0 GGADMN COc1ccc(Cl)c(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000474587161 567181142 /nfs/dbraw/zinc/18/11/42/567181142.db2.gz RQFLPXBQILBZIN-ACJLOTCBSA-N 0 1 382.913 3.318 20 0 GGADMN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1ccccc1)N(C)C ZINC000474580099 567181197 /nfs/dbraw/zinc/18/11/97/567181197.db2.gz YITSTLUFLRUXOU-CXAGYDPISA-N 0 1 397.338 3.419 20 0 GGADMN Cc1cc(CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)n[nH]1 ZINC000684137472 567183779 /nfs/dbraw/zinc/18/37/79/567183779.db2.gz XYXYHZIAZHTBHT-OAHLLOKOSA-N 0 1 392.301 3.267 20 0 GGADMN CN1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000684160089 567184974 /nfs/dbraw/zinc/18/49/74/567184974.db2.gz VZIFLXOAHVOEFE-IRXDYDNUSA-N 0 1 380.330 3.336 20 0 GGADMN CN1CC2(C1)CCN(C(=O)C1(c3ccc(Br)cc3)CCCC1)C2 ZINC000684172593 567185470 /nfs/dbraw/zinc/18/54/70/567185470.db2.gz KYFUAXWAHABSRV-UHFFFAOYSA-N 0 1 377.326 3.425 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C ZINC000498556993 567185890 /nfs/dbraw/zinc/18/58/90/567185890.db2.gz SDGXCPQZDSOSDP-QWHCGFSZSA-N 0 1 378.314 3.414 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(OC)c(Br)c(OC)c2)C[C@@H]1C ZINC000498554996 567186047 /nfs/dbraw/zinc/18/60/47/567186047.db2.gz NWDFBMHFDZGOKC-NWDGAFQWSA-N 0 1 385.302 3.021 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCCN1CC=CCC1 ZINC000474649854 567187112 /nfs/dbraw/zinc/18/71/12/567187112.db2.gz BFQXFPCHCCBRPR-PBHICJAKSA-N 0 1 396.329 3.086 20 0 GGADMN CCSc1n[n-]c(=NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000615470643 567187329 /nfs/dbraw/zinc/18/73/29/567187329.db2.gz WEBIWVGWLNZQJT-UHFFFAOYSA-N 0 1 383.587 3.192 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@@H]1C ZINC000498569911 567187838 /nfs/dbraw/zinc/18/78/38/567187838.db2.gz CQRQWCGMFADLDV-STQMWFEESA-N 0 1 391.313 3.394 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Cc2c[nH]c3cccc(Br)c23)C[C@H]1C ZINC000498571718 567188897 /nfs/dbraw/zinc/18/88/97/567188897.db2.gz WRKQBLHGYQSCCA-CHWSQXEVSA-N 0 1 378.314 3.414 20 0 GGADMN CSc1n[nH]c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC000589692015 567190390 /nfs/dbraw/zinc/19/03/90/567190390.db2.gz MYKNKTCBQUHLQP-ZCFIWIBFSA-N 0 1 391.678 3.349 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000454629822 567190461 /nfs/dbraw/zinc/19/04/61/567190461.db2.gz ZXVGHVOFJUILQE-DUXPYHPUSA-N 0 1 377.286 3.426 20 0 GGADMN CSc1n[nH]c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC000589692014 567190587 /nfs/dbraw/zinc/19/05/87/567190587.db2.gz MYKNKTCBQUHLQP-LURJTMIESA-N 0 1 391.678 3.349 20 0 GGADMN Cc1nc(-c2cc3c(s2)CCN(C[C@H](O)COCC(F)(F)F)C3)cs1 ZINC000432781151 567191027 /nfs/dbraw/zinc/19/10/27/567191027.db2.gz MVGGCLMCBQXXOH-LBPRGKRZSA-N 0 1 392.468 3.478 20 0 GGADMN Cn1nc(CNCCC(=O)Nc2ccc(Br)cc2)c2ccccc21 ZINC000589648794 567191108 /nfs/dbraw/zinc/19/11/08/567191108.db2.gz VFTKFRIRZSEULK-UHFFFAOYSA-N 0 1 387.281 3.454 20 0 GGADMN CSc1n[nH]c(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)n1 ZINC000589692018 567191142 /nfs/dbraw/zinc/19/11/42/567191142.db2.gz NFDQYKOLABYPKM-UHFFFAOYSA-N 0 1 380.524 3.187 20 0 GGADMN Cc1ccc(Cl)c2c1CCCN2C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000637336063 567191559 /nfs/dbraw/zinc/19/15/59/567191559.db2.gz YMIZCBPOWWYQCZ-UHFFFAOYSA-N 0 1 379.869 3.008 20 0 GGADMN Cc1nc2ccc(Br)cn2c1C(=O)N1CCN(C2CCCC2)CC1 ZINC000474702843 567192743 /nfs/dbraw/zinc/19/27/43/567192743.db2.gz KQIZRKFYZPQGDA-UHFFFAOYSA-N 0 1 391.313 3.106 20 0 GGADMN Cc1cccc(CC[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])n1 ZINC000566802440 567192817 /nfs/dbraw/zinc/19/28/17/567192817.db2.gz HUZLKMIXJAJAOC-KRWDZBQOSA-N 0 1 375.266 3.207 20 0 GGADMN COC(=O)c1cccc(Br)c1CN1CC[C@H](C2CCOCC2)C1 ZINC000432787153 567192900 /nfs/dbraw/zinc/19/29/00/567192900.db2.gz ZPWASHVPCZDTQZ-AWEZNQCLSA-N 0 1 382.298 3.484 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)n[nH]1 ZINC000637370943 567195053 /nfs/dbraw/zinc/19/50/53/567195053.db2.gz VJBHPHIGFBEXST-BQBZGAKWSA-N 0 1 388.216 3.275 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCOc2c(Br)cccc2C1 ZINC000684274799 567195413 /nfs/dbraw/zinc/19/54/13/567195413.db2.gz FFYGIOQYGUHVQL-CQSZACIVSA-N 0 1 391.269 3.154 20 0 GGADMN Cc1c(C(=O)N2CCN(C)CC[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000498712655 567195937 /nfs/dbraw/zinc/19/59/37/567195937.db2.gz AXICDTSZEFNHBQ-ZDUSSCGKSA-N 0 1 391.313 3.109 20 0 GGADMN C[C@@H]1CCN(C)CCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000498706086 567196322 /nfs/dbraw/zinc/19/63/22/567196322.db2.gz CFPSVKSWXRDZKG-GFCCVEGCSA-N 0 1 377.286 3.005 20 0 GGADMN CCOc1ccc(Br)cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000454698023 567196207 /nfs/dbraw/zinc/19/62/07/567196207.db2.gz KNBFBAZVQZXAMX-UHFFFAOYSA-N 0 1 382.262 3.411 20 0 GGADMN Cc1nc(CNC(=O)NCc2nc3cccc(C)c3[nH]2)sc1Br ZINC000454745537 567197666 /nfs/dbraw/zinc/19/76/66/567197666.db2.gz KKXUAYLRZVTGLA-UHFFFAOYSA-N 0 1 394.298 3.398 20 0 GGADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C)CC[C@H]1C ZINC000498731438 567198321 /nfs/dbraw/zinc/19/83/21/567198321.db2.gz SYWYTIPJIQPFSH-VXGBXAGGSA-N 0 1 389.721 3.422 20 0 GGADMN CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CCN(C)CC[C@H]1C ZINC000498725486 567198562 /nfs/dbraw/zinc/19/85/62/567198562.db2.gz IONOYRSYWBSCAH-RHSMWYFYSA-N 0 1 383.330 3.405 20 0 GGADMN CC[C@H](CNC(=O)c1ncccc1Br)N1CCc2ccccc2C1 ZINC000474781145 567198586 /nfs/dbraw/zinc/19/85/86/567198586.db2.gz QVJBEJFQGJOIBQ-MRXNPFEDSA-N 0 1 388.309 3.411 20 0 GGADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000524418599 567198997 /nfs/dbraw/zinc/19/89/97/567198997.db2.gz DWLPJJRRWZOEAQ-LLVKDONJSA-N 0 1 398.985 3.199 20 0 GGADMN CC(C)N1CC[C@@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000474812677 567202082 /nfs/dbraw/zinc/20/20/82/567202082.db2.gz VPFJZKVYUQHOKE-GFCCVEGCSA-N 0 1 395.219 3.447 20 0 GGADMN CC(C)N1CC[C@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000474812678 567202114 /nfs/dbraw/zinc/20/21/14/567202114.db2.gz VPFJZKVYUQHOKE-LBPRGKRZSA-N 0 1 395.219 3.447 20 0 GGADMN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000524548954 567203346 /nfs/dbraw/zinc/20/33/46/567203346.db2.gz DPWHUAGAMPVYQN-UHFFFAOYSA-N 0 1 383.491 3.068 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000547365169 567205107 /nfs/dbraw/zinc/20/51/07/567205107.db2.gz QUNDLWPLQZFANF-NSHDSACASA-N 0 1 396.310 3.130 20 0 GGADMN CCCN(CC(C)(C)O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000474861668 567205194 /nfs/dbraw/zinc/20/51/94/567205194.db2.gz QUGGHNMAEWBVIB-UHFFFAOYSA-N 0 1 380.286 3.462 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2cc(Cl)ccc2Br)n[nH]1 ZINC000566971539 567205800 /nfs/dbraw/zinc/20/58/00/567205800.db2.gz MYIFDYGAKTVFNN-MRVPVSSYSA-N 0 1 386.681 3.343 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1 ZINC000498850764 567206478 /nfs/dbraw/zinc/20/64/78/567206478.db2.gz BXZDJVGOGNVJEM-UHFFFAOYSA-N 0 1 396.248 3.494 20 0 GGADMN CCN(Cc1cc(Br)ccc1F)C[C@@H](O)COCC(F)(F)F ZINC000432933322 567206751 /nfs/dbraw/zinc/20/67/51/567206751.db2.gz TXKSQUNOGDTZDA-GFCCVEGCSA-N 0 1 388.199 3.350 20 0 GGADMN O=C(C[C@@H]1COCCN1)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000659336288 567207345 /nfs/dbraw/zinc/20/73/45/567207345.db2.gz MSEXTRAHEJIDIV-MRXNPFEDSA-N 0 1 381.314 3.103 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000684432551 567207857 /nfs/dbraw/zinc/20/78/57/567207857.db2.gz INHRBGCGUCXUJC-DJLDLDEBSA-N 0 1 384.303 3.107 20 0 GGADMN C[C@H](NC(C)(C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000547413312 567207907 /nfs/dbraw/zinc/20/79/07/567207907.db2.gz KRLKSIHAXOBTDX-ZDUSSCGKSA-N 0 1 393.329 3.054 20 0 GGADMN C[C@@H](Sc1nncn1C)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615818522 567208083 /nfs/dbraw/zinc/20/80/83/567208083.db2.gz XDSKZJROECJISB-NXEZZACHSA-N 0 1 378.889 3.045 20 0 GGADMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000524656057 567208429 /nfs/dbraw/zinc/20/84/29/567208429.db2.gz SEFAADLSNFIXQY-SWLSCSKDSA-N 0 1 397.313 3.272 20 0 GGADMN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN(C2CCOCC2)CC1 ZINC000474902856 567208651 /nfs/dbraw/zinc/20/86/51/567208651.db2.gz PLVSMNITEQFKCG-UHFFFAOYSA-N 0 1 379.913 3.333 20 0 GGADMN CCCc1nc(=NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s[n-]1 ZINC000567002072 567209046 /nfs/dbraw/zinc/20/90/46/567209046.db2.gz WZTNDLRBXRSFQJ-SWLSCSKDSA-N 0 1 379.555 3.179 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)c2[nH]1 ZINC000498894500 567210091 /nfs/dbraw/zinc/21/00/91/567210091.db2.gz DOEUJFKSGGAHTM-UHFFFAOYSA-N 0 1 396.248 3.494 20 0 GGADMN CCSc1n[n-]c(=NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000524683322 567210177 /nfs/dbraw/zinc/21/01/77/567210177.db2.gz QATVREZZMSYHEY-AWEZNQCLSA-N 0 1 383.587 3.238 20 0 GGADMN CCOC(=O)C1(CNCc2c(F)ccc(I)c2F)CC1 ZINC000474939476 567210843 /nfs/dbraw/zinc/21/08/43/567210843.db2.gz UWVWHWWDRBOLHH-UHFFFAOYSA-N 0 1 395.187 3.002 20 0 GGADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000684505916 567210765 /nfs/dbraw/zinc/21/07/65/567210765.db2.gz DTASDOYOZYYBDJ-ZCFIWIBFSA-N 0 1 377.164 3.385 20 0 GGADMN C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)C1 ZINC000590158017 567211409 /nfs/dbraw/zinc/21/14/09/567211409.db2.gz XATARFUXXPIDFI-SUMWQHHRSA-N 0 1 380.330 3.468 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCCN2CCCC2=O)CC1 ZINC000524757573 567211974 /nfs/dbraw/zinc/21/19/74/567211974.db2.gz IGHYTVAIUVBEJF-MRXNPFEDSA-N 0 1 394.357 3.140 20 0 GGADMN O=C(c1cccc(Br)c1O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000524750081 567212085 /nfs/dbraw/zinc/21/20/85/567212085.db2.gz JASIYHNYYQLQMU-UHFFFAOYSA-N 0 1 399.248 3.069 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(F)c(Br)c1)C(=O)NC(=O)NC(C)(C)C ZINC000590193763 567213536 /nfs/dbraw/zinc/21/35/36/567213536.db2.gz RIRDYDAFCCRSPP-VHSXEESVSA-N 0 1 388.281 3.252 20 0 GGADMN CCN1C[C@@H](C)N(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1C ZINC000498929274 567213818 /nfs/dbraw/zinc/21/38/18/567213818.db2.gz NJVQCSCZMSPGOX-CHWSQXEVSA-N 0 1 379.302 3.414 20 0 GGADMN C[C@@](N)(C(=O)N1CCC(c2ccncc2)CC1)c1ccc(Br)cc1 ZINC000567046654 567214062 /nfs/dbraw/zinc/21/40/62/567214062.db2.gz MRHWLDDIBYBWEP-IBGZPJMESA-N 0 1 388.309 3.424 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000567052805 567214301 /nfs/dbraw/zinc/21/43/01/567214301.db2.gz DVQJPQNIKFIXGK-GFCCVEGCSA-N 0 1 381.885 3.202 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)c(Br)c1 ZINC000684534812 567214816 /nfs/dbraw/zinc/21/48/16/567214816.db2.gz XGFOMRTZAGEHDO-UHFFFAOYSA-N 0 1 382.239 3.135 20 0 GGADMN COC(=O)CCN(Cc1cccc(Br)c1OC)C[C@@H]1CCCO1 ZINC000547516145 567215128 /nfs/dbraw/zinc/21/51/28/567215128.db2.gz NZPCVTODPCQJQG-AWEZNQCLSA-N 0 1 386.286 3.002 20 0 GGADMN CC(C)c1nc(CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000567073851 567215672 /nfs/dbraw/zinc/21/56/72/567215672.db2.gz YLHPNDDRROISRG-KSSFIOAISA-N 0 1 389.297 3.211 20 0 GGADMN Cn1ccc2c1cccc2NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000590263021 567216359 /nfs/dbraw/zinc/21/63/59/567216359.db2.gz HFIIONIZENMPOG-UHFFFAOYSA-N 0 1 375.837 3.127 20 0 GGADMN CCc1nc(CN2CCN([C@@H](CC)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000475019067 567219317 /nfs/dbraw/zinc/21/93/17/567219317.db2.gz NRFYTOUUOPPRTM-INIZCTEOSA-N 0 1 392.345 3.399 20 0 GGADMN CC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)c1nn[nH]n1 ZINC000475003479 567219561 /nfs/dbraw/zinc/21/95/61/567219561.db2.gz OFDKNZQIOSOSLO-UHFFFAOYSA-N 0 1 397.291 3.224 20 0 GGADMN CC(C)(NC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1nn[nH]n1 ZINC000475013580 567219678 /nfs/dbraw/zinc/21/96/78/567219678.db2.gz FCMKIKITNQPRBR-UHFFFAOYSA-N 0 1 383.264 3.295 20 0 GGADMN O=C(NCCN1CCCOCC1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000454995491 567219917 /nfs/dbraw/zinc/21/99/17/567219917.db2.gz GQAXLHBAXJFUSE-QGZVFWFLSA-N 0 1 396.329 3.018 20 0 GGADMN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c1 ZINC000567116130 567220029 /nfs/dbraw/zinc/22/00/29/567220029.db2.gz QXRFQRXEYPNLNL-UHFFFAOYSA-N 0 1 382.869 3.247 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(SC)nc2)c(Br)c1 ZINC000684608379 567220243 /nfs/dbraw/zinc/22/02/43/567220243.db2.gz KVRKTFKPULOMOU-UHFFFAOYSA-N 0 1 389.296 3.375 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@@H]1c1ncon1 ZINC000567131436 567220398 /nfs/dbraw/zinc/22/03/98/567220398.db2.gz JIJQENHCZCTPIE-CQSZACIVSA-N 0 1 388.225 3.200 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1nc2ccccc2cc1Br ZINC000433086169 567220992 /nfs/dbraw/zinc/22/09/92/567220992.db2.gz XSDONXIJXDNNAZ-UHFFFAOYSA-N 0 1 395.220 3.430 20 0 GGADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000433086281 567221130 /nfs/dbraw/zinc/22/11/30/567221130.db2.gz ZUTKPLATWBFUFO-KGLIPLIRSA-N 0 1 384.237 3.371 20 0 GGADMN CCOC(=O)[C@](C)(O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000475040628 567221137 /nfs/dbraw/zinc/22/11/37/567221137.db2.gz ULMYCKXWLUXZPS-MRXNPFEDSA-N 0 1 376.266 3.113 20 0 GGADMN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NCCN1CCCOCC1 ZINC000455002136 567221372 /nfs/dbraw/zinc/22/13/72/567221372.db2.gz PKAJMEWPAWACFV-CYBMUJFWSA-N 0 1 386.323 3.344 20 0 GGADMN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCCN1CCCOCC1 ZINC000455003541 567221412 /nfs/dbraw/zinc/22/14/12/567221412.db2.gz RHGYFVKXEQTESK-CYBMUJFWSA-N 0 1 386.323 3.344 20 0 GGADMN CCOC(=O)[C@@](C)(O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000475040626 567221644 /nfs/dbraw/zinc/22/16/44/567221644.db2.gz ULMYCKXWLUXZPS-INIZCTEOSA-N 0 1 376.266 3.113 20 0 GGADMN O=C(NC1CC1)[C@@H](NCCOc1cccc(Br)c1)c1ccccc1 ZINC000616021122 567221793 /nfs/dbraw/zinc/22/17/93/567221793.db2.gz OPMYQFZXNGUBJL-SFHVURJKSA-N 0 1 389.293 3.437 20 0 GGADMN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NCCN1CCCOCC1 ZINC000455005948 567222107 /nfs/dbraw/zinc/22/21/07/567222107.db2.gz VRRFGAADQCUOEH-ZDUSSCGKSA-N 0 1 386.323 3.344 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(Br)ccc2OC(C)C)n[nH]1 ZINC000454997300 567222183 /nfs/dbraw/zinc/22/21/83/567222183.db2.gz YCJSREPPGVOREU-UHFFFAOYSA-N 0 1 382.262 3.239 20 0 GGADMN COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c(F)c1 ZINC000684608996 567222295 /nfs/dbraw/zinc/22/22/95/567222295.db2.gz YSWRDRBVJVWCMS-UHFFFAOYSA-N 0 1 390.839 3.489 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC(N3CCc4ccccc4C3)CC2)s1 ZINC000616017927 567222341 /nfs/dbraw/zinc/22/23/41/567222341.db2.gz BTIAESOLAHDRKX-UHFFFAOYSA-N 0 1 376.547 3.268 20 0 GGADMN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433092885 567222567 /nfs/dbraw/zinc/22/25/67/567222567.db2.gz PHAIOEMYJXRAFX-SNVBAGLBSA-N 0 1 388.225 3.035 20 0 GGADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(Cl)cc(Cl)c1N ZINC000637870760 567223323 /nfs/dbraw/zinc/22/33/23/567223323.db2.gz JLMXVWCJUNWJER-SNVBAGLBSA-N 0 1 388.320 3.416 20 0 GGADMN CC(C)CN1CCO[C@H](CNc2ccnc3cc(Br)cnc32)C1 ZINC000475047033 567223376 /nfs/dbraw/zinc/22/33/76/567223376.db2.gz ODDCFBKBUFAUAH-CQSZACIVSA-N 0 1 379.302 3.161 20 0 GGADMN COc1cccc([C@H](N)C(=O)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000637881535 567223775 /nfs/dbraw/zinc/22/37/75/567223775.db2.gz NIRDZEZLKZHPLV-KRWDZBQOSA-N 0 1 393.281 3.125 20 0 GGADMN C[C@@H](CCc1ccc(I)cc1)N[C@@H](C)c1ncn(C)n1 ZINC000475092837 567224012 /nfs/dbraw/zinc/22/40/12/567224012.db2.gz OZWJWIGAJAWZTJ-RYUDHWBXSA-N 0 1 384.265 3.092 20 0 GGADMN COc1cccc([C@@H](N)C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000637895320 567224147 /nfs/dbraw/zinc/22/41/47/567224147.db2.gz LGCFKYXZCHFVKA-PIGZYNQJSA-N 0 1 393.281 3.344 20 0 GGADMN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000525007421 567224313 /nfs/dbraw/zinc/22/43/13/567224313.db2.gz FRPUPJCIOHABEL-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN COc1cccc(C[C@@H](N)C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000637888977 567224259 /nfs/dbraw/zinc/22/42/59/567224259.db2.gz MBFVUZXNBHDTEM-CQSZACIVSA-N 0 1 383.311 3.048 20 0 GGADMN Fc1ccc(I)c(F)c1CN[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000475088339 567224353 /nfs/dbraw/zinc/22/43/53/567224353.db2.gz MRVDKCPDYFHBIB-ZEGGKSINSA-N 0 1 379.188 3.227 20 0 GGADMN C[C@@H](N[C@@H](C)CCc1ccc(I)cc1)c1ncn(C)n1 ZINC000475092836 567224437 /nfs/dbraw/zinc/22/44/37/567224437.db2.gz OZWJWIGAJAWZTJ-NWDGAFQWSA-N 0 1 384.265 3.092 20 0 GGADMN C[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cncc(Br)c1 ZINC000567180602 567224598 /nfs/dbraw/zinc/22/45/98/567224598.db2.gz OEZKUBSDZXCEIV-NSHDSACASA-N 0 1 384.299 3.066 20 0 GGADMN Fc1ccc(I)c(F)c1CN[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000475088337 567224904 /nfs/dbraw/zinc/22/49/04/567224904.db2.gz MRVDKCPDYFHBIB-CKLFPEKLSA-N 0 1 379.188 3.227 20 0 GGADMN C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cncc(Br)c1 ZINC000567180601 567225178 /nfs/dbraw/zinc/22/51/78/567225178.db2.gz OEZKUBSDZXCEIV-LLVKDONJSA-N 0 1 384.299 3.066 20 0 GGADMN Cn1c(C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)nc2ccc(Br)cc21 ZINC000659800852 567225821 /nfs/dbraw/zinc/22/58/21/567225821.db2.gz ZBYIZZAFSCVNFR-SGTLLEGYSA-N 0 1 392.297 3.413 20 0 GGADMN COc1cccc(C[C@@H](N)C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000637940681 567226129 /nfs/dbraw/zinc/22/61/29/567226129.db2.gz LKBMYJCRAWYZAO-CQSZACIVSA-N 0 1 383.311 3.048 20 0 GGADMN CCOC(=O)[C@@](C)(O)CN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000475103355 567226296 /nfs/dbraw/zinc/22/62/96/567226296.db2.gz XQMMDTQONOICBO-OCCSQVGLSA-N 0 1 398.219 3.346 20 0 GGADMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2ccns2)C1 ZINC000637944168 567226439 /nfs/dbraw/zinc/22/64/39/567226439.db2.gz YGEDJONCNNPMBX-NSHDSACASA-N 0 1 381.299 3.151 20 0 GGADMN O=C([O-])[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000659796296 567226546 /nfs/dbraw/zinc/22/65/46/567226546.db2.gz KHCJWQLHOCETOY-UAGQMJEPSA-N 0 1 382.298 3.448 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000659803783 567226577 /nfs/dbraw/zinc/22/65/77/567226577.db2.gz NKLMLOYQOVALSI-LBPRGKRZSA-N 0 1 377.076 3.433 20 0 GGADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000659803783 567226579 /nfs/dbraw/zinc/22/65/79/567226579.db2.gz NKLMLOYQOVALSI-LBPRGKRZSA-N 0 1 377.076 3.433 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c(C)c1 ZINC000499160876 567226917 /nfs/dbraw/zinc/22/69/17/567226917.db2.gz ZXWSEAVNYIPSIP-UHFFFAOYSA-N 0 1 380.857 3.199 20 0 GGADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000684660716 567226907 /nfs/dbraw/zinc/22/69/07/567226907.db2.gz VVHYYAZPCUJRJL-GFCCVEGCSA-N 0 1 395.750 3.255 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2nccc(-c3cncc(F)c3)n2)cc1Cl ZINC000433159309 567227009 /nfs/dbraw/zinc/22/70/09/567227009.db2.gz LTFCBOQOSISDDG-UHFFFAOYSA-N 0 1 378.816 3.440 20 0 GGADMN CN1C(=O)COc2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)ccc21 ZINC000525086501 567227242 /nfs/dbraw/zinc/22/72/42/567227242.db2.gz UCIUHVTXSUUUIE-UHFFFAOYSA-N 0 1 387.244 3.149 20 0 GGADMN CC[C@H](CC(F)F)CN(Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000659818962 567227499 /nfs/dbraw/zinc/22/74/99/567227499.db2.gz AXECLLWCOOYMCV-ZBFHGGJFSA-N 0 1 375.481 3.366 20 0 GGADMN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2c(C)c(F)ccc2Cl)s1 ZINC000433148011 567227980 /nfs/dbraw/zinc/22/79/80/567227980.db2.gz PUTYTHFGHVMFSW-UHFFFAOYSA-N 0 1 393.845 3.445 20 0 GGADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1nccc(-c2cncc(F)c2)n1 ZINC000433142858 567228062 /nfs/dbraw/zinc/22/80/62/567228062.db2.gz FXGDAZOGETYFGH-UHFFFAOYSA-N 0 1 378.816 3.440 20 0 GGADMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NCc1sccc1Br ZINC000637964318 567228697 /nfs/dbraw/zinc/22/86/97/567228697.db2.gz VCBGGFIXRHDDDO-XHDPSFHLSA-N 0 1 383.311 3.059 20 0 GGADMN O=C(NCCN1CC=CCC1)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000684691882 567228773 /nfs/dbraw/zinc/22/87/73/567228773.db2.gz MHVRHNGZSFDRNX-UHFFFAOYSA-N 0 1 381.864 3.381 20 0 GGADMN CCCc1cc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)n(C)n1 ZINC000455065693 567229757 /nfs/dbraw/zinc/22/97/57/567229757.db2.gz KVHYIOPWQRHDLS-UHFFFAOYSA-N 0 1 391.273 3.333 20 0 GGADMN Brc1cnc2c(CN3CCCO[C@H](c4ccccc4)C3)cnn2c1 ZINC000638021975 567230138 /nfs/dbraw/zinc/23/01/38/567230138.db2.gz VAFOHOFHQVVKAB-KRWDZBQOSA-N 0 1 387.281 3.455 20 0 GGADMN Cc1cc(Br)ccc1NC(=O)CN(C)CCCC(=O)NCC(C)C ZINC000659834094 567230687 /nfs/dbraw/zinc/23/06/87/567230687.db2.gz OQVDSMZTPVNBGJ-UHFFFAOYSA-N 0 1 398.345 3.180 20 0 GGADMN C[C@@H](NC(=O)CN(CCO)[C@@H]1CCCSC1)c1ccc(Cl)c(Cl)c1 ZINC000433199958 567231220 /nfs/dbraw/zinc/23/12/20/567231220.db2.gz FWXVMKRJVISAQO-TZMCWYRMSA-N 0 1 391.364 3.361 20 0 GGADMN CCOc1cc(Br)ccc1NC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638033663 567231367 /nfs/dbraw/zinc/23/13/67/567231367.db2.gz MDFPRCUHZKWTIA-HNNXBMFYSA-N 0 1 393.281 3.365 20 0 GGADMN COc1cc(Br)c(CNC(=O)[C@H](N)c2ccccc2C)cc1OC ZINC000567265033 567231694 /nfs/dbraw/zinc/23/16/94/567231694.db2.gz YGQPDFKFPBYWAF-QGZVFWFLSA-N 0 1 393.281 3.091 20 0 GGADMN O=[S@](CCN(CCO)[C@@H]1CCCSC1)c1cc(Cl)ccc1Cl ZINC000433198603 567232182 /nfs/dbraw/zinc/23/21/82/567232182.db2.gz ZBJPJJLFOOWVCR-MCMMXHMISA-N 0 1 382.378 3.291 20 0 GGADMN O=C1C[C@H](NCc2csc(Br)c2)CN1CCOc1ccccc1 ZINC000525183997 567232181 /nfs/dbraw/zinc/23/21/81/567232181.db2.gz YAGFFBGPXAOKQK-AWEZNQCLSA-N 0 1 395.322 3.280 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)Nc2ccccc2I)C[C@H]1C ZINC000499241249 567232681 /nfs/dbraw/zinc/23/26/81/567232681.db2.gz FBXXSMKWXULCND-VXGBXAGGSA-N 0 1 387.265 3.238 20 0 GGADMN CCOc1c(Br)cc(CNCc2cccn(CC)c2=O)cc1OC ZINC000433204788 567233190 /nfs/dbraw/zinc/23/31/90/567233190.db2.gz ICWFOXUDXUHKFA-UHFFFAOYSA-N 0 1 395.297 3.328 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)CC(=O)N(C)c2ccccc2)s1 ZINC000475206597 567233344 /nfs/dbraw/zinc/23/33/44/567233344.db2.gz CTPSMEZSQAODIY-AWEZNQCLSA-N 0 1 380.535 3.073 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)C(C)(C)Oc2ccc(Br)cc2)n[nH]1 ZINC000616222560 567233954 /nfs/dbraw/zinc/23/39/54/567233954.db2.gz UEXOQJDHNWMUJI-UHFFFAOYSA-N 0 1 395.301 3.339 20 0 GGADMN O=C(c1cccc(F)c1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000433243665 567234759 /nfs/dbraw/zinc/23/47/59/567234759.db2.gz SONHOXGWDHGTMJ-UHFFFAOYSA-N 0 1 399.304 3.163 20 0 GGADMN Cc1cc(Br)cn2c(C[NH+]=c3[n-]ncn3Cc3ccccc3)cnc12 ZINC000547637424 567234904 /nfs/dbraw/zinc/23/49/04/567234904.db2.gz XCAGBULTQXFHDR-UHFFFAOYSA-N 0 1 397.280 3.079 20 0 GGADMN O=C1[C@H](N2CCC([C@H]3CCCO3)CC2)CCN1c1cccc(Br)c1 ZINC000433233921 567235274 /nfs/dbraw/zinc/23/52/74/567235274.db2.gz IOYQBJWJRGENJG-QZTJIDSGSA-N 0 1 393.325 3.445 20 0 GGADMN CC[C@]1(CO)CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000433256017 567236203 /nfs/dbraw/zinc/23/62/03/567236203.db2.gz JMSGQMJHDPKWRO-WMZOPIPTSA-N 0 1 381.314 3.039 20 0 GGADMN CCCN(C)CC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000433259098 567236499 /nfs/dbraw/zinc/23/64/99/567236499.db2.gz IIMANTOEGNTBJO-UHFFFAOYSA-N 0 1 379.258 3.312 20 0 GGADMN COC(=O)[C@@H]1CCC[C@@H]1NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000590658085 567237536 /nfs/dbraw/zinc/23/75/36/567237536.db2.gz TUIBYXDFDLJLTL-KGLIPLIRSA-N 0 1 378.270 3.271 20 0 GGADMN COc1ccc(O[C@H](C)CNC(=O)c2cccc(Br)c2O)cc1 ZINC000525261231 567238477 /nfs/dbraw/zinc/23/84/77/567238477.db2.gz QIFKAWNZFCTQCL-LLVKDONJSA-N 0 1 380.238 3.361 20 0 GGADMN CC[C@H](O)[C@@H]1CCCCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000659943982 567239516 /nfs/dbraw/zinc/23/95/16/567239516.db2.gz PGABPBORUFAPDI-GJZGRUSLSA-N 0 1 380.286 3.134 20 0 GGADMN Cc1cc(CNc2nc(C(F)(F)F)ccc2I)n[nH]1 ZINC000590690129 567239824 /nfs/dbraw/zinc/23/98/24/567239824.db2.gz BRPZWLFJDHPDKB-UHFFFAOYSA-N 0 1 382.127 3.349 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccc(Br)cc2)C1)NCc1ccco1 ZINC000433299937 567239915 /nfs/dbraw/zinc/23/99/15/567239915.db2.gz CPNQDLZPRPDRMF-OAHLLOKOSA-N 0 1 377.282 3.223 20 0 GGADMN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H](C)N1CC(C)C1 ZINC000567364327 567239909 /nfs/dbraw/zinc/23/99/09/567239909.db2.gz GOETZWRLVVSOCE-XJKSGUPXSA-N 0 1 381.314 3.461 20 0 GGADMN CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000475317849 567240239 /nfs/dbraw/zinc/24/02/39/567240239.db2.gz LKXGYHAYIJKBAH-SUMWQHHRSA-N 0 1 398.345 3.201 20 0 GGADMN Cn1cnc2cc(NC(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)ccc21 ZINC000525264186 567240262 /nfs/dbraw/zinc/24/02/62/567240262.db2.gz XURPZAXYRKJINI-UHFFFAOYSA-N 0 1 397.232 3.430 20 0 GGADMN Cc1nc2cc(Br)cc(NC(=O)N3CCN(C)[C@@H](C)[C@H]3C)c2o1 ZINC000455163532 567241580 /nfs/dbraw/zinc/24/15/80/567241580.db2.gz HMSWHXOUQYISAU-VHSXEESVSA-N 0 1 381.274 3.455 20 0 GGADMN O=C(NCC1CCN(CC(F)(F)F)CC1)c1cccc(Br)c1O ZINC000547722511 567241874 /nfs/dbraw/zinc/24/18/74/567241874.db2.gz HFOBYJSNRLOZNJ-UHFFFAOYSA-N 0 1 395.219 3.159 20 0 GGADMN O=C(Nc1ccccc1Nc1ccncc1)c1c[nH]c(=O)c(Br)c1 ZINC000684851470 567241807 /nfs/dbraw/zinc/24/18/07/567241807.db2.gz CNBHBXSKNLPSEK-UHFFFAOYSA-N 0 1 385.221 3.363 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000475362725 567241993 /nfs/dbraw/zinc/24/19/93/567241993.db2.gz NJXFUBUVFWXXHT-UPJWGTAASA-N 0 1 386.359 3.348 20 0 GGADMN CN(C)c1ncc(Br)cc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000499403609 567243720 /nfs/dbraw/zinc/24/37/20/567243720.db2.gz FYBRFANUEPLHGZ-AWEZNQCLSA-N 0 1 397.342 3.004 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)N1CCN(C2CCC2)CC1 ZINC000475368166 567243776 /nfs/dbraw/zinc/24/37/76/567243776.db2.gz FZGZTCVQLGSBJT-CHWSQXEVSA-N 0 1 384.343 3.246 20 0 GGADMN C[C@@H]1CN(c2ccc(CNCc3cc(Cl)cc(Cl)c3N)cn2)CCO1 ZINC000638368018 567244392 /nfs/dbraw/zinc/24/43/92/567244392.db2.gz SEXILGKBVNHQKF-GFCCVEGCSA-N 0 1 381.307 3.486 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(OC)cc2C)n[nH]1 ZINC000433345353 567244304 /nfs/dbraw/zinc/24/43/04/567244304.db2.gz XMSJVXOGQAOKPP-MWLCHTKSSA-N 0 1 386.905 3.328 20 0 GGADMN CNC(=O)[C@@H](C)CN(C)Cc1cccc(OCC(F)(F)F)c1Br ZINC000659982658 567244572 /nfs/dbraw/zinc/24/45/72/567244572.db2.gz UCWGBUQKZPAVQR-JTQLQIEISA-N 0 1 397.235 3.204 20 0 GGADMN CNC(=O)[C@H](C)CN(C)Cc1cccc(OCC(F)(F)F)c1Br ZINC000659982659 567244589 /nfs/dbraw/zinc/24/45/89/567244589.db2.gz UCWGBUQKZPAVQR-SNVBAGLBSA-N 0 1 397.235 3.204 20 0 GGADMN Cc1cc(C)c(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1Br ZINC000455196818 567245376 /nfs/dbraw/zinc/24/53/76/567245376.db2.gz RGIOBADOHSQUJR-CQSZACIVSA-N 0 1 384.318 3.034 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H](O)Cc1ccccc1Cl ZINC000475404568 567245589 /nfs/dbraw/zinc/24/55/89/567245589.db2.gz ZHBLWXKAAYTYCE-IAGOWNOFSA-N 0 1 378.925 3.258 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H](O)Cc1ccccc1Cl ZINC000475404567 567245911 /nfs/dbraw/zinc/24/59/11/567245911.db2.gz ZHBLWXKAAYTYCE-DLBZAZTESA-N 0 1 378.925 3.258 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000660008543 567245970 /nfs/dbraw/zinc/24/59/70/567245970.db2.gz CIRFTTWUONYQRO-GFCCVEGCSA-N 0 1 395.750 3.207 20 0 GGADMN COc1cc(CNCCCS(=O)(=O)Cc2ccccc2)c(Cl)cc1O ZINC000638379293 567246215 /nfs/dbraw/zinc/24/62/15/567246215.db2.gz ZPGREWWOETWVTL-UHFFFAOYSA-N 0 1 383.897 3.149 20 0 GGADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000660008567 567246189 /nfs/dbraw/zinc/24/61/89/567246189.db2.gz COLMNOHCUIQBRT-LBPRGKRZSA-N 0 1 384.851 3.464 20 0 GGADMN CO[C@@]1(C)CCCN(Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000567435087 567246212 /nfs/dbraw/zinc/24/62/12/567246212.db2.gz YLYFVYDSOOCGIG-KRWDZBQOSA-N 0 1 379.302 3.421 20 0 GGADMN Cc1nc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3CN(C)C)s2)cs1 ZINC000660008648 567246316 /nfs/dbraw/zinc/24/63/16/567246316.db2.gz FGGBQINRZVASCW-ZDUSSCGKSA-N 0 1 385.580 3.285 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2N)cc1 ZINC000638373535 567247076 /nfs/dbraw/zinc/24/70/76/567247076.db2.gz GXWRGYXBZSJJDS-UHFFFAOYSA-N 0 1 388.320 3.116 20 0 GGADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000660009714 567247253 /nfs/dbraw/zinc/24/72/53/567247253.db2.gz ZCMXIKONYASZHG-LLVKDONJSA-N 0 1 395.750 3.207 20 0 GGADMN CC(C)=CCCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000660011069 567247325 /nfs/dbraw/zinc/24/73/25/567247325.db2.gz SCONFKHQACDLAT-UHFFFAOYSA-N 0 1 380.330 3.362 20 0 GGADMN CCC[C@H]1CN(C(=O)c2cc(Br)ccc2C)CCN1CCOC ZINC000499438240 567248040 /nfs/dbraw/zinc/24/80/40/567248040.db2.gz UETSODMPIOXORI-INIZCTEOSA-N 0 1 383.330 3.330 20 0 GGADMN Oc1ccc2c(c1)CCN(Cc1cc3c(cc1Br)OCO3)CC2 ZINC000590785261 567247959 /nfs/dbraw/zinc/24/79/59/567247959.db2.gz OHHBFTVHSFJZMP-UHFFFAOYSA-N 0 1 376.250 3.484 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cccc(Br)c2C)CCN1CCOC ZINC000499432462 567248425 /nfs/dbraw/zinc/24/84/25/567248425.db2.gz COKIFSGYWAPNPH-OAHLLOKOSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(C)cc2Br)CCN1CCOC ZINC000499446856 567249270 /nfs/dbraw/zinc/24/92/70/567249270.db2.gz ZHGFRSFYPRFMRZ-OAHLLOKOSA-N 0 1 383.330 3.330 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCN1CCOC ZINC000499444169 567249428 /nfs/dbraw/zinc/24/94/28/567249428.db2.gz NKRRWGBOKBJKGC-AWEZNQCLSA-N 0 1 387.293 3.161 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CCN1CCOC ZINC000499454193 567249547 /nfs/dbraw/zinc/24/95/47/567249547.db2.gz KHEAZMCFBGVMLQ-CQSZACIVSA-N 0 1 387.293 3.161 20 0 GGADMN CS(=O)(=O)C1(CNCc2cccc(Br)c2OC(F)F)CCC1 ZINC000475444712 567249777 /nfs/dbraw/zinc/24/97/77/567249777.db2.gz YSOUUYGDPVJKTE-UHFFFAOYSA-N 0 1 398.269 3.107 20 0 GGADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1nc(SC)n[nH]1 ZINC000525455115 567249834 /nfs/dbraw/zinc/24/98/34/567249834.db2.gz GZSVTNAYXMZXMZ-LLVKDONJSA-N 0 1 399.314 3.123 20 0 GGADMN CO[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1(C)C ZINC000547827925 567250062 /nfs/dbraw/zinc/25/00/62/567250062.db2.gz FHPCQQBKOJVMBG-BPLDGKMQSA-N 0 1 388.327 3.071 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCN1CCOC ZINC000499443420 567250250 /nfs/dbraw/zinc/25/02/50/567250250.db2.gz PMTGVXZKFRVBAD-MRXNPFEDSA-N 0 1 387.293 3.161 20 0 GGADMN Cc1ccc(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000433446538 567250561 /nfs/dbraw/zinc/25/05/61/567250561.db2.gz HFBRACFGELAHFO-AWEZNQCLSA-N 0 1 384.318 3.380 20 0 GGADMN Cc1ccc(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC000433446539 567250631 /nfs/dbraw/zinc/25/06/31/567250631.db2.gz HFBRACFGELAHFO-CQSZACIVSA-N 0 1 384.318 3.380 20 0 GGADMN CO[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1(C)C ZINC000547827926 567250707 /nfs/dbraw/zinc/25/07/07/567250707.db2.gz FHPCQQBKOJVMBG-NWANDNLSSA-N 0 1 388.327 3.071 20 0 GGADMN CN1C(=O)COc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc21 ZINC000685002371 567251424 /nfs/dbraw/zinc/25/14/24/567251424.db2.gz MRUCZLNKUZSBRZ-UHFFFAOYSA-N 0 1 387.244 3.149 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000590845477 567251501 /nfs/dbraw/zinc/25/15/01/567251501.db2.gz SWKDYULWGKDQJC-AFAVFJNCSA-N 0 1 386.323 3.295 20 0 GGADMN CCn1cc(CN(CCO)Cc2ccc(Br)c3cccnc23)cn1 ZINC000475493907 567251473 /nfs/dbraw/zinc/25/14/73/567251473.db2.gz PHFGSDPXNVRVAB-UHFFFAOYSA-N 0 1 389.297 3.208 20 0 GGADMN CC(C)N1CCN(C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000525499078 567251662 /nfs/dbraw/zinc/25/16/62/567251662.db2.gz WDVGBFAWQGPSOD-UHFFFAOYSA-N 0 1 380.330 3.216 20 0 GGADMN O=C(NCC1(c2ccccc2Br)CC1)N1CCN(CC2CC2)CC1 ZINC000525514321 567251986 /nfs/dbraw/zinc/25/19/86/567251986.db2.gz PSDNFLTVCKPEQF-UHFFFAOYSA-N 0 1 392.341 3.218 20 0 GGADMN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccn[nH]2)c(Br)c1 ZINC000684986394 567252164 /nfs/dbraw/zinc/25/21/64/567252164.db2.gz XHGOPABHHUMHFO-MRXNPFEDSA-N 0 1 392.297 3.231 20 0 GGADMN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](C)N(C)C)c(Br)c1 ZINC000684986377 567252227 /nfs/dbraw/zinc/25/22/27/567252227.db2.gz WWEZTCXNYFYGIF-HOCLYGCPSA-N 0 1 383.330 3.215 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)sc1Br ZINC000433467124 567252702 /nfs/dbraw/zinc/25/27/02/567252702.db2.gz DPURVDQPBDIEMU-WDEREUQCSA-N 0 1 391.287 3.188 20 0 GGADMN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC1CCC(=O)CC1 ZINC000475500422 567252693 /nfs/dbraw/zinc/25/26/93/567252693.db2.gz BJQJPEZECZPDFS-UHFFFAOYSA-N 0 1 395.341 3.489 20 0 GGADMN C[C@H](NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1Cl ZINC000590862911 567253218 /nfs/dbraw/zinc/25/32/18/567253218.db2.gz OWTJWKCWKNLEBW-VUCTXSBTSA-N 0 1 386.323 3.295 20 0 GGADMN O=S1(=O)CC[C@H](CCN2CCC(c3cccc(Br)c3)CC2)C1 ZINC000685008130 567253301 /nfs/dbraw/zinc/25/33/01/567253301.db2.gz YPJUQIXIARGPDR-AWEZNQCLSA-N 0 1 386.355 3.453 20 0 GGADMN CCN1CCC(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000499500147 567253541 /nfs/dbraw/zinc/25/35/41/567253541.db2.gz BWMIHQUAZNGVJQ-UHFFFAOYSA-N 0 1 385.942 3.226 20 0 GGADMN O=C(NCCN1CCCCC1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000525619849 567254718 /nfs/dbraw/zinc/25/47/18/567254718.db2.gz LCMQIQXWXUCIJN-UHFFFAOYSA-N 0 1 376.913 3.497 20 0 GGADMN CC[C@@H](CC(F)F)CN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000660068014 567255546 /nfs/dbraw/zinc/25/55/46/567255546.db2.gz RXSHYLFGENXHJG-DZGCQCFKSA-N 0 1 378.460 3.250 20 0 GGADMN CCOc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(Cl)c1[O-] ZINC000638554913 567257405 /nfs/dbraw/zinc/25/74/05/567257405.db2.gz GNPHVLSENWBCCX-WDEREUQCSA-N 0 1 380.794 3.044 20 0 GGADMN O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)[C@H]1CCc2[nH]nnc2C1 ZINC000499609579 567260228 /nfs/dbraw/zinc/26/02/28/567260228.db2.gz NPDYIDQSEZGZKJ-VIFPVBQESA-N 0 1 378.263 3.057 20 0 GGADMN O=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)[C@H]1CCc2nn[nH]c2C1 ZINC000499609579 567260230 /nfs/dbraw/zinc/26/02/30/567260230.db2.gz NPDYIDQSEZGZKJ-VIFPVBQESA-N 0 1 378.263 3.057 20 0 GGADMN CC(C)Cn1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cn1 ZINC000525717112 567260698 /nfs/dbraw/zinc/26/06/98/567260698.db2.gz DORAXQICOXDUOG-UHFFFAOYSA-N 0 1 389.253 3.395 20 0 GGADMN [NH3+][C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000567613341 567261083 /nfs/dbraw/zinc/26/10/83/567261083.db2.gz ZKMNIGRNEFQFLV-DTWKUNHWSA-N 0 1 399.713 3.037 20 0 GGADMN Cc1ccc(OCCC(=O)N2CCN(C3CCC3)CC2)c(Br)c1 ZINC000499640379 567262101 /nfs/dbraw/zinc/26/21/01/567262101.db2.gz LCTVRVBSDNHRNH-UHFFFAOYSA-N 0 1 381.314 3.223 20 0 GGADMN O=S(=O)(Nc1ccc(Br)cc1O)c1cc(F)c(F)c(F)c1 ZINC000525751590 567262283 /nfs/dbraw/zinc/26/22/83/567262283.db2.gz IYSWXNAXNHBHRI-UHFFFAOYSA-N 0 1 382.157 3.373 20 0 GGADMN CCOc1cc(CNCc2cnn3cc(Br)cnc23)ccc1OC ZINC000638607993 567262549 /nfs/dbraw/zinc/26/25/49/567262549.db2.gz FKWQVRYZXQOCBR-UHFFFAOYSA-N 0 1 391.269 3.189 20 0 GGADMN COC(=O)COc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Cl ZINC000433618153 567263372 /nfs/dbraw/zinc/26/33/72/567263372.db2.gz RFGVUYBBUSNJIA-UHFFFAOYSA-N 0 1 390.244 3.346 20 0 GGADMN O=S(=O)(NCC1CCC1)c1scc(Br)c1Br ZINC000433623641 567263410 /nfs/dbraw/zinc/26/34/10/567263410.db2.gz VMGCZXPXPINVAQ-UHFFFAOYSA-N 0 1 389.134 3.352 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](n2ccnc2)C1 ZINC000591083460 567264004 /nfs/dbraw/zinc/26/40/04/567264004.db2.gz WEQRUCIZGFWKNN-BBRMVZONSA-N 0 1 377.286 3.310 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](n2ccnc2)C1 ZINC000591083461 567264135 /nfs/dbraw/zinc/26/41/35/567264135.db2.gz WEQRUCIZGFWKNN-CJNGLKHVSA-N 0 1 377.286 3.310 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000567657494 567264568 /nfs/dbraw/zinc/26/45/68/567264568.db2.gz UKILNQYMTPBZPC-UHFFFAOYSA-N 0 1 383.223 3.405 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](n2ccnc2)C1)c1ccc(Br)cc1 ZINC000591083196 567264681 /nfs/dbraw/zinc/26/46/81/567264681.db2.gz QTLYORKLYRRBFP-WMLDXEAASA-N 0 1 391.313 3.160 20 0 GGADMN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nc2ccc(Br)cc2[nH]1 ZINC000525775839 567264799 /nfs/dbraw/zinc/26/47/99/567264799.db2.gz RHACJZADJSFWAR-UHFFFAOYSA-N 0 1 398.220 3.155 20 0 GGADMN O=C(CN1CC[C@@H](C2CCOCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660126174 567264821 /nfs/dbraw/zinc/26/48/21/567264821.db2.gz XBEQDZYIZUYMBY-CYBMUJFWSA-N 0 1 392.297 3.257 20 0 GGADMN CCCOc1c(Br)cc(CN2CC[C@](C)(C(N)=O)C2)cc1OCC ZINC000475667241 567265376 /nfs/dbraw/zinc/26/53/76/567265376.db2.gz AMHCYEUVXLKWHL-SFHVURJKSA-N 0 1 399.329 3.334 20 0 GGADMN CN(C)[C@@]1(CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSC1 ZINC000433659132 567265852 /nfs/dbraw/zinc/26/58/52/567265852.db2.gz JJUCRWWRMUYJDJ-OAHLLOKOSA-N 0 1 390.983 3.270 20 0 GGADMN O=S(=O)(C[C@H]1CCC(F)(F)C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000685289990 567267325 /nfs/dbraw/zinc/26/73/25/567267325.db2.gz IHXKDIQQRCDDNX-KBPBESRZSA-N 0 1 378.510 3.240 20 0 GGADMN Fc1cccnc1N1CC[C@@H](NCc2nc3cc(Br)ccc3o2)C1 ZINC000638763949 567267665 /nfs/dbraw/zinc/26/76/65/567267665.db2.gz MGJBVNJHYBRAMQ-GFCCVEGCSA-N 0 1 391.244 3.493 20 0 GGADMN O[C@@H]([C@H]1CCCN1CCOc1cc(F)cc(Br)c1)C(F)(F)F ZINC000525832907 567267840 /nfs/dbraw/zinc/26/78/40/567267840.db2.gz GVLMZKFZGZHJRO-OLZOCXBDSA-N 0 1 386.183 3.355 20 0 GGADMN O=C(Cc1cc(F)ccc1Br)NCCN1CCc2ccccc2C1 ZINC000433697944 567268082 /nfs/dbraw/zinc/26/80/82/567268082.db2.gz RYGDMBQVWPABRB-UHFFFAOYSA-N 0 1 391.284 3.305 20 0 GGADMN Nc1c(F)cccc1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000638761884 567268257 /nfs/dbraw/zinc/26/82/57/567268257.db2.gz MRJFLMXGCFXWBP-UHFFFAOYSA-N 0 1 394.288 3.297 20 0 GGADMN Cc1nnc(SCCC(=O)NCCOc2cccc(Cl)c2Cl)[nH]1 ZINC000525826440 567268256 /nfs/dbraw/zinc/26/82/56/567268256.db2.gz NHAONMOXYGUUAZ-UHFFFAOYSA-N 0 1 375.281 3.097 20 0 GGADMN Cn1ccnc1[C@H](NC(C)(C)COc1ncccc1Br)C1CC1 ZINC000638789663 567269156 /nfs/dbraw/zinc/26/91/56/567269156.db2.gz CGZZJKOYIMYUPS-CQSZACIVSA-N 0 1 379.302 3.476 20 0 GGADMN Cn1c(CNC[C@@H](O)COc2ccccc2Cl)nc2cccc(Cl)c21 ZINC000567710389 567270319 /nfs/dbraw/zinc/27/03/19/567270319.db2.gz KBZUKZSPCYHDEW-GFCCVEGCSA-N 0 1 380.275 3.410 20 0 GGADMN CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCS3)cc2Br)CC1 ZINC000475744099 567270921 /nfs/dbraw/zinc/27/09/21/567270921.db2.gz AHRVSGILBBLTJL-INIZCTEOSA-N 0 1 398.370 3.031 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000638826208 567271142 /nfs/dbraw/zinc/27/11/42/567271142.db2.gz LVUVXBQTARCDIV-SDDRHHMPSA-N 0 1 377.432 3.296 20 0 GGADMN C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)[C@@H]2C1 ZINC000567713292 567271120 /nfs/dbraw/zinc/27/11/20/567271120.db2.gz ASZWSNUODPUCJZ-SUMWQHHRSA-N 0 1 389.297 3.005 20 0 GGADMN C[C@@H]1C[C@@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CO1 ZINC000685384318 567271287 /nfs/dbraw/zinc/27/12/87/567271287.db2.gz IOWDZNVYDATEOQ-PSASIEDQSA-N 0 1 376.214 3.177 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000455407816 567271199 /nfs/dbraw/zinc/27/11/99/567271199.db2.gz IKXDKDCNQAEYAM-GFCCVEGCSA-N 0 1 392.301 3.340 20 0 GGADMN CC(C)[C@H](N[C@H](C)C(=O)Nc1cccc(Br)c1)[C@H](O)C(F)(F)F ZINC000685413539 567271457 /nfs/dbraw/zinc/27/14/57/567271457.db2.gz KXKVCQVKPFHLKQ-ICCXJUOJSA-N 0 1 397.235 3.314 20 0 GGADMN O=C(C[C@@H]1COCCN1)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000638826205 567271618 /nfs/dbraw/zinc/27/16/18/567271618.db2.gz LVUVXBQTARCDIV-GRYCIOLGSA-N 0 1 377.432 3.296 20 0 GGADMN C[C@@H]1CNC[C@H](C(=O)Nc2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)O1 ZINC000638826805 567271802 /nfs/dbraw/zinc/27/18/02/567271802.db2.gz UWEINLNHEIPZFB-PRULPYPASA-N 0 1 377.432 3.295 20 0 GGADMN COc1ncc(Br)cc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000660152967 567271863 /nfs/dbraw/zinc/27/18/63/567271863.db2.gz CECSFPDLTORSHI-LBPRGKRZSA-N 0 1 392.301 3.228 20 0 GGADMN COc1ncc(Br)cc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000660152967 567271867 /nfs/dbraw/zinc/27/18/67/567271867.db2.gz CECSFPDLTORSHI-LBPRGKRZSA-N 0 1 392.301 3.228 20 0 GGADMN C[C@H]1C[C@H](c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CO1 ZINC000685384321 567272049 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CC[C@@H](NCCS(=O)(=O)NC(C)C)c1ccc(Br)cc1Cl ZINC000525867610 567273443 /nfs/dbraw/zinc/27/34/43/567273443.db2.gz DAMYLRHCBKRAOH-CQSZACIVSA-N 0 1 397.766 3.471 20 0 GGADMN CC[C@@H](C)N(CCC(=O)Nc1ccc(Br)cc1F)CC(=O)OC ZINC000499797172 567273879 /nfs/dbraw/zinc/27/38/79/567273879.db2.gz RDTVBLREBTYYFQ-LLVKDONJSA-N 0 1 389.265 3.190 20 0 GGADMN O=C(CCCN1CCC[C@@H]1C(=O)NC1CC1)c1ccc(Br)cc1 ZINC000685417744 567274103 /nfs/dbraw/zinc/27/41/03/567274103.db2.gz QPROSSKYMAFQGT-MRXNPFEDSA-N 0 1 379.298 3.155 20 0 GGADMN CN(C(=O)N[C@H](C1CC1)C(F)(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000455448060 567275681 /nfs/dbraw/zinc/27/56/81/567275681.db2.gz NMFLMTMKFZJCJE-GFCCVEGCSA-N 0 1 375.357 3.386 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000567772889 567275964 /nfs/dbraw/zinc/27/59/64/567275964.db2.gz AZMQMRJQBVHHMJ-ZWKOTPCHSA-N 0 1 389.293 3.357 20 0 GGADMN C[C@H]([N-]S(=O)(=O)c1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000567781296 567276895 /nfs/dbraw/zinc/27/68/95/567276895.db2.gz 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O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCc2cc(Br)cc(F)c2C1 ZINC000525984227 567280637 /nfs/dbraw/zinc/28/06/37/567280637.db2.gz LHCHVVMBTMHPDM-OAHLLOKOSA-N 0 1 393.260 3.457 20 0 GGADMN CC(C)CCS(=O)(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000591389162 567280613 /nfs/dbraw/zinc/28/06/13/567280613.db2.gz RGNXNVPRDNOGNM-UHFFFAOYSA-N 0 1 391.375 3.189 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc(-n2cccn2)c1 ZINC000475832064 567280777 /nfs/dbraw/zinc/28/07/77/567280777.db2.gz LRHLIQUUEBBIKD-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000660198703 567280754 /nfs/dbraw/zinc/28/07/54/567280754.db2.gz ZXUOXFWPANEVSD-FASAQXTFSA-N 0 1 379.909 3.470 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1c(Cl)cccc1Cl ZINC000591428126 567281381 /nfs/dbraw/zinc/28/13/81/567281381.db2.gz URHIBOGHFPWCLV-UHFFFAOYSA-N 0 1 379.247 3.217 20 0 GGADMN CNC(=O)c1cc2cc(NS(=O)(=O)c3cc(C)ccc3Cl)ccc2[nH]1 ZINC000475838382 567281881 /nfs/dbraw/zinc/28/18/81/567281881.db2.gz 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O=C(CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1)Nc1cnccn1 ZINC000660333640 567287600 /nfs/dbraw/zinc/28/76/00/567287600.db2.gz BWCCYISQCRAWQL-HNNXBMFYSA-N 0 1 393.260 3.448 20 0 GGADMN Brc1ccc2oc(CNC3CCN(c4cccnn4)CC3)nc2c1 ZINC000639102954 567288629 /nfs/dbraw/zinc/28/86/29/567288629.db2.gz HDPGXJNVJWNAQA-UHFFFAOYSA-N 0 1 388.269 3.139 20 0 GGADMN C[C@H](OCC(=O)Nc1cc(Cl)cc(Br)c1O)c1nccn1C ZINC000499975086 567288719 /nfs/dbraw/zinc/28/87/19/567288719.db2.gz GAYCOLQEKIRVGE-QMMMGPOBSA-N 0 1 388.649 3.258 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccsc1Cl)c1ccc(Cl)cc1 ZINC000526088307 567291436 /nfs/dbraw/zinc/29/14/36/567291436.db2.gz SOIOXMIQPKKCFK-CYBMUJFWSA-N 0 1 386.304 3.413 20 0 GGADMN O=C(CN(Cc1cccc(Br)c1)CC1CC1)Nc1cnccn1 ZINC000660393808 567291585 /nfs/dbraw/zinc/29/15/85/567291585.db2.gz PRQKQMHWISCROE-UHFFFAOYSA-N 0 1 375.270 3.090 20 0 GGADMN Cc1nc(CC(=O)NC2(c3ccc(Br)cc3)CCCCC2)n[nH]1 ZINC000617219885 567291698 /nfs/dbraw/zinc/29/16/98/567291698.db2.gz DNKYDZABQHSWAK-UHFFFAOYSA-N 0 1 377.286 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RGUJSIILXMSDFS-BQBZGAKWSA-N 0 1 390.130 3.160 20 0 GGADMN Cc1cnccc1CC[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000568402762 567325437 /nfs/dbraw/zinc/32/54/37/567325437.db2.gz VDPGASDNSWQOCD-QGZVFWFLSA-N 0 1 375.266 3.207 20 0 GGADMN CN1CCN(C(=O)c2ccc(I)c(Cl)c2)C(C)(C)C1 ZINC000500495695 567325809 /nfs/dbraw/zinc/32/58/09/567325809.db2.gz SZXPJGCDUAIKMN-UHFFFAOYSA-N 0 1 392.668 3.111 20 0 GGADMN CCOC1CC(N(C)C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000568400117 567326288 /nfs/dbraw/zinc/32/62/88/567326288.db2.gz OUWPJOVCQXCUFK-UHFFFAOYSA-N 0 1 378.270 3.479 20 0 GGADMN CN1c2ccc(Br)cc2N(C(=O)CCc2cnc[nH]2)CC1(C)C ZINC000527273605 567326769 /nfs/dbraw/zinc/32/67/69/567326769.db2.gz VQLGDZXBWMLDFD-UHFFFAOYSA-N 0 1 377.286 3.366 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)[C@@H](C)C1 ZINC000455967956 567326829 /nfs/dbraw/zinc/32/68/29/567326829.db2.gz IVKVLMVGWHLKLI-WDEREUQCSA-N 0 1 390.709 3.021 20 0 GGADMN CN(Cc1cccc(Br)c1OC(F)F)[C@@H]1CCC(=O)N(C)C1 ZINC000568408365 567326996 /nfs/dbraw/zinc/32/69/96/567326996.db2.gz LHPSSWDJPSVHAQ-LLVKDONJSA-N 0 1 377.229 3.103 20 0 GGADMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000476499873 567328160 /nfs/dbraw/zinc/32/81/60/567328160.db2.gz OZULNMOKODZZPZ-ZOWXZIJZSA-N 0 1 384.307 3.088 20 0 GGADMN C[C@@]1(CO)C[C@@H](O)CN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000639853152 567328587 /nfs/dbraw/zinc/32/85/87/567328587.db2.gz DTPLUUXYTALUMP-KDOFPFPSSA-N 0 1 377.897 3.034 20 0 GGADMN CC[N@@H+](CCNC(=O)N=c1nc(SCc2ccccc2)[n-]s1)C(C)C ZINC000476496466 567328620 /nfs/dbraw/zinc/32/86/20/567328620.db2.gz YSRUWECBAMITMG-UHFFFAOYSA-N 0 1 379.555 3.104 20 0 GGADMN O=C(CNCc1cccc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000500540003 567328760 /nfs/dbraw/zinc/32/87/60/567328760.db2.gz ZDPDOFKMBCBTDF-MRXNPFEDSA-N 0 1 375.266 3.179 20 0 GGADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000568436235 567328766 /nfs/dbraw/zinc/32/87/66/567328766.db2.gz BMZGYSTVKNYWDH-UHFFFAOYSA-N 0 1 391.873 3.464 20 0 GGADMN COC(=O)[C@](C)(CNC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000527314219 567329241 /nfs/dbraw/zinc/32/92/41/567329241.db2.gz OQDLOYFJKUGFQA-GOSISDBHSA-N 0 1 392.249 3.015 20 0 GGADMN COC[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000434787498 567329771 /nfs/dbraw/zinc/32/97/71/567329771.db2.gz QYIQEZGFNUZOCN-KGLIPLIRSA-N 0 1 380.794 3.081 20 0 GGADMN Cc1cc(CNCC(=O)N[C@H]2CCOc3ccccc32)ccc1Br ZINC000500544316 567330104 /nfs/dbraw/zinc/33/01/04/567330104.db2.gz IMTLREHXVJVBEM-KRWDZBQOSA-N 0 1 389.293 3.487 20 0 GGADMN O=C(CNCc1ccc(Br)cc1)N[C@H]1CCOc2ccccc21 ZINC000500550509 567330455 /nfs/dbraw/zinc/33/04/55/567330455.db2.gz ZEYDMWXCGDDJIN-INIZCTEOSA-N 0 1 375.266 3.179 20 0 GGADMN O=C(CNCc1cc(Br)cs1)N[C@H]1CCOc2ccccc21 ZINC000500550526 567330997 /nfs/dbraw/zinc/33/09/97/567330997.db2.gz ZIONXAJBBUQHAV-AWEZNQCLSA-N 0 1 381.295 3.240 20 0 GGADMN CCOc1cccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000476520463 567331216 /nfs/dbraw/zinc/33/12/16/567331216.db2.gz ZTGHTBSTOYGPHQ-UHFFFAOYSA-N 0 1 376.356 3.222 20 0 GGADMN CCN1CCN(c2ccc(CNC(=O)Nc3ccsc3Cl)cn2)CC1 ZINC000527339392 567332182 /nfs/dbraw/zinc/33/21/82/567332182.db2.gz MJLBDINPSHQUDU-UHFFFAOYSA-N 0 1 379.917 3.260 20 0 GGADMN Ic1ccc(C2(c3nc([C@@H]4CCCN4)no3)CC2)cc1 ZINC000592356467 567332524 /nfs/dbraw/zinc/33/25/24/567332524.db2.gz ZIVKNYZMLBLPJJ-LBPRGKRZSA-N 0 1 381.217 3.179 20 0 GGADMN Cc1cc(C)c(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc1I ZINC000476522705 567332702 /nfs/dbraw/zinc/33/27/02/567332702.db2.gz RRVXPXLPTFEREC-STQMWFEESA-N 0 1 386.277 3.073 20 0 GGADMN Cc1nc([C@H](C)NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)n[nH]1 ZINC000500611282 567332921 /nfs/dbraw/zinc/33/29/21/567332921.db2.gz ROUMZXNJBAKFRT-BDAKNGLRSA-N 0 1 384.253 3.006 20 0 GGADMN CC[C@H](NC(=O)c1csc(=NC2CC2)[nH]1)c1nc(C(F)(F)F)cs1 ZINC000476542106 567333286 /nfs/dbraw/zinc/33/32/86/567333286.db2.gz RHKDXXNQAOBKBG-QMMMGPOBSA-N 0 1 376.429 3.496 20 0 GGADMN O=C(NCC1CC1)[C@@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000568522927 567335772 /nfs/dbraw/zinc/33/57/72/567335772.db2.gz JGDRIMSKNSRTPG-OAHLLOKOSA-N 0 1 398.288 3.029 20 0 GGADMN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000592403345 567336241 /nfs/dbraw/zinc/33/62/41/567336241.db2.gz PUIMGBALUQJBPU-ZWKOTPCHSA-N 0 1 385.335 3.374 20 0 GGADMN COCCO[C@@H]1COCC[C@@H]1NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000548597589 567336359 /nfs/dbraw/zinc/33/63/59/567336359.db2.gz MXBZYJGIBKRZSD-DLBZAZTESA-N 0 1 382.913 3.374 20 0 GGADMN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592403342 567336556 /nfs/dbraw/zinc/33/65/56/567336556.db2.gz PUIMGBALUQJBPU-MSOLQXFVSA-N 0 1 385.335 3.374 20 0 GGADMN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592403110 567336645 /nfs/dbraw/zinc/33/66/45/567336645.db2.gz OUJVKRPERYUIJO-CABCVRRESA-N 0 1 379.913 3.068 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)N1CCCC[C@@H]1C ZINC000500666175 567336712 /nfs/dbraw/zinc/33/67/12/567336712.db2.gz JPYNGNYUACLDNP-RYUDHWBXSA-N 0 1 393.322 3.129 20 0 GGADMN Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000660957659 567336943 /nfs/dbraw/zinc/33/69/43/567336943.db2.gz CIEVEGHIQIYRSG-PBHICJAKSA-N 0 1 383.279 3.094 20 0 GGADMN OCCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(Br)c1 ZINC000434987466 567337372 /nfs/dbraw/zinc/33/73/72/567337372.db2.gz NAZWYOHCGOQAAI-UHFFFAOYSA-N 0 1 376.254 3.427 20 0 GGADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660987245 567338972 /nfs/dbraw/zinc/33/89/72/567338972.db2.gz UEAADBOMNJTIEX-ABAIWWIYSA-N 0 1 381.274 3.090 20 0 GGADMN O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000435041481 567339316 /nfs/dbraw/zinc/33/93/16/567339316.db2.gz IRRUUSTXGNYVNI-SFHVURJKSA-N 0 1 376.547 3.415 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)c1cccc(Br)c1[O-])[NH+]1CCOCC1 ZINC000592449660 567339452 /nfs/dbraw/zinc/33/94/52/567339452.db2.gz AQSIPBYUZKRZOX-MRXNPFEDSA-N 0 1 399.329 3.022 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(Br)c1O ZINC000592446861 567339560 /nfs/dbraw/zinc/33/95/60/567339560.db2.gz VPGYAJOMXDIEHW-UHFFFAOYSA-N 0 1 391.265 3.482 20 0 GGADMN O[C@@H]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)[C@H]2CCCC[C@H]12 ZINC000640091303 567340780 /nfs/dbraw/zinc/34/07/80/567340780.db2.gz MIUIBRXHRQOQKX-SDDRHHMPSA-N 0 1 382.258 3.218 20 0 GGADMN C[C@H](CO)[C@@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000617854950 567341008 /nfs/dbraw/zinc/34/10/08/567341008.db2.gz JIYRELPZGGUYGO-OCCSQVGLSA-N 0 1 392.297 3.462 20 0 GGADMN O=S1(=O)Nc2ccccc2N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000548660149 567341005 /nfs/dbraw/zinc/34/10/05/567341005.db2.gz GWVHIOPYGHYYBP-UHFFFAOYSA-N 0 1 392.790 3.343 20 0 GGADMN C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000617854949 567341078 /nfs/dbraw/zinc/34/10/78/567341078.db2.gz JIYRELPZGGUYGO-JSGCOSHPSA-N 0 1 392.297 3.462 20 0 GGADMN Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)CN2CCCCCC2)s1 ZINC000476630995 567341202 /nfs/dbraw/zinc/34/12/02/567341202.db2.gz JPZQSRCZVQMHAJ-NSHDSACASA-N 0 1 395.388 3.362 20 0 GGADMN C[C@H](CO)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000617851669 567341140 /nfs/dbraw/zinc/34/11/40/567341140.db2.gz UYAMHVJOPQRWKV-SJKOYZFVSA-N 0 1 392.297 3.462 20 0 GGADMN COC(=O)C(C)(C)CCN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000527520689 567341408 /nfs/dbraw/zinc/34/14/08/567341408.db2.gz IKHBLKBTKFIVLS-NSHDSACASA-N 0 1 386.286 3.460 20 0 GGADMN C[C@@H](CO)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000617851670 567341493 /nfs/dbraw/zinc/34/14/93/567341493.db2.gz UYAMHVJOPQRWKV-YVEFUNNKSA-N 0 1 392.297 3.462 20 0 GGADMN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000476637615 567341482 /nfs/dbraw/zinc/34/14/82/567341482.db2.gz VAGINNPVFARPLL-UHFFFAOYSA-N 0 1 394.269 3.111 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000592514014 567341589 /nfs/dbraw/zinc/34/15/89/567341589.db2.gz PYKCAAWZDUNDLJ-GXSJLCMTSA-N 0 1 378.213 3.482 20 0 GGADMN CCC[C@H]1CN(C(=O)NCc2ccccc2Br)CCN1CCOC ZINC000500759047 567341790 /nfs/dbraw/zinc/34/17/90/567341790.db2.gz NSZPOEUAVXFTME-INIZCTEOSA-N 0 1 398.345 3.091 20 0 GGADMN Cc1cc(Cl)c(NC(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)cc1Cl ZINC000527564040 567342957 /nfs/dbraw/zinc/34/29/57/567342957.db2.gz LBNWQPZBYLUDLC-BFVZDQMLSA-N 0 1 384.267 3.096 20 0 GGADMN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2nc3ccccc3s2)C1 ZINC000568624192 567343352 /nfs/dbraw/zinc/34/33/52/567343352.db2.gz GOKOWKKEXHOKGE-ZNMIVQPWSA-N 0 1 379.551 3.322 20 0 GGADMN CC(C)Oc1cc(Br)cc(NC(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000568618766 567343437 /nfs/dbraw/zinc/34/34/37/567343437.db2.gz VQMBVTKVCPPVTB-NSHDSACASA-N 0 1 394.273 3.376 20 0 GGADMN COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000435147608 567343398 /nfs/dbraw/zinc/34/33/98/567343398.db2.gz XMEZQFJMAOAUIQ-UHFFFAOYSA-N 0 1 388.214 3.176 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(O)cc2Br)[C@@H]1SC ZINC000592530308 567344292 /nfs/dbraw/zinc/34/42/92/567344292.db2.gz PKPBIUHDCNUEDP-DFBGVHRSSA-N 0 1 376.316 3.162 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(O)cc2Br)[C@H]1SC ZINC000592530313 567344378 /nfs/dbraw/zinc/34/43/78/567344378.db2.gz PKPBIUHDCNUEDP-KCPJHIHWSA-N 0 1 376.316 3.162 20 0 GGADMN Cc1nnc(SCCC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[nH]1 ZINC000456145569 567345538 /nfs/dbraw/zinc/34/55/38/567345538.db2.gz KFBRCWAJERMFIV-CYBMUJFWSA-N 0 1 395.326 3.374 20 0 GGADMN Cc1nn(C)c(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1Br ZINC000640163722 567346420 /nfs/dbraw/zinc/34/64/20/567346420.db2.gz USSOZLKPBCUVHC-ZDUSSCGKSA-N 0 1 398.280 3.055 20 0 GGADMN CN(Cc1nc2ccc(Br)cc2n1C)[C@H](CO)Cc1ccccc1 ZINC000661090638 567347132 /nfs/dbraw/zinc/34/71/32/567347132.db2.gz FDKRHWDGZSBQHQ-INIZCTEOSA-N 0 1 388.309 3.371 20 0 GGADMN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(Br)c1O ZINC000548736425 567347223 /nfs/dbraw/zinc/34/72/23/567347223.db2.gz MQXHPRWKOYVYEC-OTYXRUKQSA-N 0 1 396.203 3.368 20 0 GGADMN Cc1cccc(I)c1C(=O)N1CCN(C2CCCC2)CC1 ZINC000476733265 567347215 /nfs/dbraw/zinc/34/72/15/567347215.db2.gz QYUNEPQJRNCDRB-UHFFFAOYSA-N 0 1 398.288 3.300 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N(C)Cc2cnc[nH]2)C1=O ZINC000661090527 567347292 /nfs/dbraw/zinc/34/72/92/567347292.db2.gz QNKYWJKYOILDPX-MRXNPFEDSA-N 0 1 391.313 3.416 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1Br ZINC000435208491 567348062 /nfs/dbraw/zinc/34/80/62/567348062.db2.gz RZUCXCGTJCFETL-ZIAGYGMSSA-N 0 1 389.359 3.299 20 0 GGADMN C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(Br)cn1 ZINC000568706381 567348816 /nfs/dbraw/zinc/34/88/16/567348816.db2.gz QWLYMANFJDFFQL-GFCCVEGCSA-N 0 1 383.311 3.240 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1Br ZINC000435214348 567349235 /nfs/dbraw/zinc/34/92/35/567349235.db2.gz DVUQOHOCJCEHOH-OCCSQVGLSA-N 0 1 389.359 3.156 20 0 GGADMN Cc1nn(C)c(NC(=O)N(C)CCCN(C)Cc2ccco2)c1Br ZINC000640169019 567349661 /nfs/dbraw/zinc/34/96/61/567349661.db2.gz WCLPQPXJYXRICL-UHFFFAOYSA-N 0 1 398.305 3.070 20 0 GGADMN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)c1ccc(Cl)s1 ZINC000617975529 567349810 /nfs/dbraw/zinc/34/98/10/567349810.db2.gz WXSAPAHBIBMDCD-UHFFFAOYSA-N 0 1 377.897 3.008 20 0 GGADMN Cc1cccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1Br ZINC000435214344 567349952 /nfs/dbraw/zinc/34/99/52/567349952.db2.gz DVUQOHOCJCEHOH-GXTWGEPZSA-N 0 1 389.359 3.156 20 0 GGADMN C[C@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@@H]1CCO ZINC000618006720 567351079 /nfs/dbraw/zinc/35/10/79/567351079.db2.gz RUORHSJGCDZQSW-GXTWGEPZSA-N 0 1 392.297 3.462 20 0 GGADMN C[C@H]1CCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@H]1CCO ZINC000618006721 567351117 /nfs/dbraw/zinc/35/11/17/567351117.db2.gz RUORHSJGCDZQSW-JSGCOSHPSA-N 0 1 392.297 3.462 20 0 GGADMN C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@@H]1CCO ZINC000618001704 567351430 /nfs/dbraw/zinc/35/14/30/567351430.db2.gz ZVPLVFNRGGJDNB-SJKOYZFVSA-N 0 1 392.297 3.462 20 0 GGADMN O=C(Nc1cccc(Br)c1)C1CCN(Cc2cnccn2)CC1 ZINC000568727499 567352123 /nfs/dbraw/zinc/35/21/23/567352123.db2.gz IOZMLBBCDSCXQT-UHFFFAOYSA-N 0 1 375.270 3.090 20 0 GGADMN Brc1ccc2ncc(CN3CCN(Cc4ccccc4)CC3)n2c1 ZINC000435236560 567352242 /nfs/dbraw/zinc/35/22/42/567352242.db2.gz JMKYBDUHUYHESV-UHFFFAOYSA-N 0 1 385.309 3.415 20 0 GGADMN Fc1cc(Br)cnc1CNC[C@H](c1ccccc1)N1CCOCC1 ZINC000527635683 567353523 /nfs/dbraw/zinc/35/35/23/567353523.db2.gz ZTBPLMFKTPUCKC-GOSISDBHSA-N 0 1 394.288 3.146 20 0 GGADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000618052354 567354109 /nfs/dbraw/zinc/35/41/09/567354109.db2.gz KEEHKNDCZXSFCP-XNJGSVPQSA-N 0 1 392.297 3.339 20 0 GGADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000618052353 567354373 /nfs/dbraw/zinc/35/43/73/567354373.db2.gz KEEHKNDCZXSFCP-AHIWAGSCSA-N 0 1 392.297 3.339 20 0 GGADMN CN(Cc1cnc[nH]1)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000568769720 567354829 /nfs/dbraw/zinc/35/48/29/567354829.db2.gz JXZJLRWGUZFCSZ-UHFFFAOYSA-N 0 1 398.204 3.012 20 0 GGADMN Cn1cc(-c2nc(CNCCOc3ccc(Br)cc3)cs2)cn1 ZINC000527652627 567355978 /nfs/dbraw/zinc/35/59/78/567355978.db2.gz GILIXUBYHXCNJN-UHFFFAOYSA-N 0 1 393.310 3.475 20 0 GGADMN COc1ccc(CCNCc2ncc(Br)cc2F)c(OC)c1OC ZINC000527651459 567356106 /nfs/dbraw/zinc/35/61/06/567356106.db2.gz CDNFXILYUXKQCN-UHFFFAOYSA-N 0 1 399.260 3.341 20 0 GGADMN Cc1nc([C@H](C)NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)n[nH]1 ZINC000568779791 567356137 /nfs/dbraw/zinc/35/61/37/567356137.db2.gz DXENKADWJSAZCH-HZMBPMFUSA-N 0 1 381.274 3.156 20 0 GGADMN Cc1nc([C@@H](C)NC(=O)[C@H](Oc2ccccc2Br)C(C)C)n[nH]1 ZINC000568779795 567356773 /nfs/dbraw/zinc/35/67/73/567356773.db2.gz DXENKADWJSAZCH-QMTHXVAHSA-N 0 1 381.274 3.156 20 0 GGADMN CN(Cc1cc(Br)ccc1F)C(=O)c1csc(=NC2CC2)[nH]1 ZINC000476924755 567357209 /nfs/dbraw/zinc/35/72/09/567357209.db2.gz GMJYDKFLVHEBCH-UHFFFAOYSA-N 0 1 384.274 3.313 20 0 GGADMN COC(=O)C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000435411006 567359241 /nfs/dbraw/zinc/35/92/41/567359241.db2.gz KNTXWXKLZYMMIE-ZDUSSCGKSA-N 0 1 392.253 3.007 20 0 GGADMN Fc1ccc(Br)c(F)c1C[NH+]=c1[n-]ncn1Cc1ccccc1 ZINC000548911637 567359834 /nfs/dbraw/zinc/35/98/34/567359834.db2.gz SKDKOUOQQVKCLR-UHFFFAOYSA-N 0 1 379.208 3.401 20 0 GGADMN Clc1cnc(CN[C@@H]2CCOC3(CCOCC3)C2)c(Br)c1 ZINC000527672879 567359902 /nfs/dbraw/zinc/35/99/02/567359902.db2.gz BLXDFANSJUUDJR-GFCCVEGCSA-N 0 1 375.694 3.315 20 0 GGADMN COc1ccc(Br)c(CNC[C@H](O)COc2ccccc2C)c1 ZINC000548929124 567360979 /nfs/dbraw/zinc/36/09/79/567360979.db2.gz MAQIZDBPPJPNSC-HNNXBMFYSA-N 0 1 380.282 3.296 20 0 GGADMN CN(C)[C@@H](CNC(=O)N=c1[nH]n(CC(F)(F)F)cc1Cl)c1cccs1 ZINC000640290584 567361595 /nfs/dbraw/zinc/36/15/95/567361595.db2.gz PUXOETQRMSUQAB-JTQLQIEISA-N 0 1 395.838 3.007 20 0 GGADMN CC(=O)NCCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccsc1 ZINC000548923631 567361893 /nfs/dbraw/zinc/36/18/93/567361893.db2.gz BOVIHBUYLCAJIG-UHFFFAOYSA-N 0 1 379.913 3.368 20 0 GGADMN O=S(=O)([N-]C1CC[NH+](CC2CC2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435427489 567362604 /nfs/dbraw/zinc/36/26/04/567362604.db2.gz NAGFYOTWFOYRAO-UHFFFAOYSA-N 0 1 381.300 3.285 20 0 GGADMN CCC[C@H](C)N1CCN(C(=O)c2ccccc2I)CC1 ZINC000501080300 567362752 /nfs/dbraw/zinc/36/27/52/567362752.db2.gz WIWBNWIEXRZZFH-ZDUSSCGKSA-N 0 1 386.277 3.238 20 0 GGADMN Cn1cncc1[C@@H]1C[C@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527693421 567362738 /nfs/dbraw/zinc/36/27/38/567362738.db2.gz DPIAYJJOKDLSOU-ABAIWWIYSA-N 0 1 385.693 3.241 20 0 GGADMN CC[C@@H]1CN(CC)CCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000456344692 567363588 /nfs/dbraw/zinc/36/35/88/567363588.db2.gz HLTQTYCIOYCFCM-QWHCGFSZSA-N 0 1 386.323 3.054 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1c([O-])nnn1-c1ccccc1 ZINC000592803369 567363802 /nfs/dbraw/zinc/36/38/02/567363802.db2.gz WUAUKEPAIUIOKS-UHFFFAOYSA-N 0 1 387.281 3.410 20 0 GGADMN Cc1ccc(CS(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1C ZINC000568910463 567364143 /nfs/dbraw/zinc/36/41/43/567364143.db2.gz DOGOGLOJUMXQLZ-UHFFFAOYSA-N 0 1 381.519 3.427 20 0 GGADMN O[C@@H]1[C@H](CNCc2ncc(Cl)cc2Br)CCC12CCOCC2 ZINC000527704137 567364112 /nfs/dbraw/zinc/36/41/12/567364112.db2.gz FJQWALSPEKWDCP-XHDPSFHLSA-N 0 1 389.721 3.155 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCS1 ZINC000456354970 567364960 /nfs/dbraw/zinc/36/49/60/567364960.db2.gz BWVKCFDQEUBYRH-LRDDRELGSA-N 0 1 398.370 3.424 20 0 GGADMN CN(CCc1ccc(Br)cc1)CC(=O)NCCOc1ccccc1 ZINC000592810760 567365079 /nfs/dbraw/zinc/36/50/79/567365079.db2.gz JIKNTPYNIQHZMB-UHFFFAOYSA-N 0 1 391.309 3.119 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000456359668 567365150 /nfs/dbraw/zinc/36/51/50/567365150.db2.gz UQIYHCIECQOAHU-BBRMVZONSA-N 0 1 381.929 3.086 20 0 GGADMN Cc1cc[nH]c1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456354223 567365440 /nfs/dbraw/zinc/36/54/40/567365440.db2.gz AJBYFCBZJOAAMS-CYBMUJFWSA-N 0 1 391.313 3.478 20 0 GGADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n[nH]1 ZINC000435435105 567365716 /nfs/dbraw/zinc/36/57/16/567365716.db2.gz WXBWEHVYTKJEHQ-SSDOTTSWSA-N 0 1 381.260 3.414 20 0 GGADMN Fc1cc(Br)cnc1CNCCCn1cc(Br)cn1 ZINC000527709946 567366147 /nfs/dbraw/zinc/36/61/47/567366147.db2.gz LZDVYOATWZZHJG-UHFFFAOYSA-N 0 1 392.070 3.122 20 0 GGADMN Cn1cc(-c2nc(CNC[C@@H](O)c3cccc(Br)c3)cs2)cn1 ZINC000527705862 567366351 /nfs/dbraw/zinc/36/63/51/567366351.db2.gz QCKQKUXVXYPYJH-OAHLLOKOSA-N 0 1 393.310 3.129 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000456370343 567366679 /nfs/dbraw/zinc/36/66/79/567366679.db2.gz GKQXIWQECINLQM-HNNXBMFYSA-N 0 1 391.313 3.191 20 0 GGADMN COc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)nn1 ZINC000548996163 567366733 /nfs/dbraw/zinc/36/67/33/567366733.db2.gz MOOKKQQSCBTBNK-UHFFFAOYSA-N 0 1 378.255 3.325 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccn(C)c1 ZINC000456366148 567367292 /nfs/dbraw/zinc/36/72/92/567367292.db2.gz IUZWDSYSJHYAFD-ZDUSSCGKSA-N 0 1 391.313 3.180 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)on1 ZINC000456370855 567367389 /nfs/dbraw/zinc/36/73/89/567367389.db2.gz MUEQYTPAUPUNAX-LBPRGKRZSA-N 0 1 393.285 3.138 20 0 GGADMN CO[C@@H](C)CCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456373964 567367542 /nfs/dbraw/zinc/36/75/42/567367542.db2.gz PMTWUAIDOOUCNC-KGLIPLIRSA-N 0 1 398.345 3.343 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccccn1 ZINC000456373627 567367586 /nfs/dbraw/zinc/36/75/86/567367586.db2.gz OYVKEVNBKJBFIL-ZDUSSCGKSA-N 0 1 389.297 3.237 20 0 GGADMN CC[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)[C@H](O)C(F)(F)F ZINC000435439155 567368202 /nfs/dbraw/zinc/36/82/02/567368202.db2.gz STQZATCQHQNKHK-WPRPVWTQSA-N 0 1 384.178 3.113 20 0 GGADMN Cn1nccc1[C@H]1C[C@H](NCc2ncc(Cl)cc2Br)CCO1 ZINC000527715385 567368471 /nfs/dbraw/zinc/36/84/71/567368471.db2.gz GHYIMGFEYOVTAZ-IAQYHMDHSA-N 0 1 385.693 3.241 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CSC1CC1 ZINC000456382045 567368579 /nfs/dbraw/zinc/36/85/79/567368579.db2.gz XPDPOWWRFVOWKF-LBPRGKRZSA-N 0 1 398.370 3.424 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)c2cccc(Br)c2O)c1 ZINC000592848542 567368730 /nfs/dbraw/zinc/36/87/30/567368730.db2.gz RHLGODJONNAFBH-UHFFFAOYSA-N 0 1 391.265 3.225 20 0 GGADMN Cc1[nH]ccc1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456374705 567368942 /nfs/dbraw/zinc/36/89/42/567368942.db2.gz PTUPXOGUOMIIMQ-LBPRGKRZSA-N 0 1 391.313 3.478 20 0 GGADMN CS(=O)(=O)CC1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527714472 567368993 /nfs/dbraw/zinc/36/89/93/567368993.db2.gz USTWOJOTHPXNFW-UHFFFAOYSA-N 0 1 395.750 3.191 20 0 GGADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(Br)c(C)c2)C1 ZINC000501144394 567369077 /nfs/dbraw/zinc/36/90/77/567369077.db2.gz VTJIJNSJWDPAGY-ZBFHGGJFSA-N 0 1 383.330 3.121 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCCO1 ZINC000456377139 567369196 /nfs/dbraw/zinc/36/91/96/567369196.db2.gz STJSHUAUISAPHH-CXAGYDPISA-N 0 1 396.329 3.097 20 0 GGADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCCCO1 ZINC000456377142 567369237 /nfs/dbraw/zinc/36/92/37/567369237.db2.gz STJSHUAUISAPHH-GUYCJALGSA-N 0 1 396.329 3.097 20 0 GGADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)C1CC=CC1 ZINC000456383163 567369524 /nfs/dbraw/zinc/36/95/24/567369524.db2.gz YTDTVUIYPWROPZ-CYBMUJFWSA-N 0 1 378.314 3.494 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cncc(-n2ccnn2)c1 ZINC000549039153 567369473 /nfs/dbraw/zinc/36/94/73/567369473.db2.gz KFVLGIFXRVCTHZ-UHFFFAOYSA-N 0 1 394.616 3.036 20 0 GGADMN O[C@H](COCc1ccco1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376428 567369586 /nfs/dbraw/zinc/36/95/86/567369586.db2.gz BXWNFAYTZVFVRY-HNNXBMFYSA-N 0 1 385.291 3.286 20 0 GGADMN COC[C@H](C)CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456376262 567369660 /nfs/dbraw/zinc/36/96/60/567369660.db2.gz RQEPCZKFUUOORI-KGLIPLIRSA-N 0 1 398.345 3.201 20 0 GGADMN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(Br)c(C)c2)C1 ZINC000501144391 567370065 /nfs/dbraw/zinc/37/00/65/567370065.db2.gz VTJIJNSJWDPAGY-GDBMZVCRSA-N 0 1 383.330 3.121 20 0 GGADMN Cc1ccccc1[C@H](N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000568979101 567370459 /nfs/dbraw/zinc/37/04/59/567370459.db2.gz GIFSKLVGTQWMHW-INIZCTEOSA-N 0 1 379.291 3.045 20 0 GGADMN C[C@@](O)(CNCc1cc(Cl)cc(I)c1)C(F)(F)F ZINC000568975394 567371488 /nfs/dbraw/zinc/37/14/88/567371488.db2.gz DTHBCGGNRVFCEP-SNVBAGLBSA-N 0 1 393.574 3.348 20 0 GGADMN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCc2[nH]nnc2C1 ZINC000435465671 567371248 /nfs/dbraw/zinc/37/12/48/567371248.db2.gz XJAOCQBJMRNHPW-UHFFFAOYSA-N 0 1 378.219 3.273 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000456392246 567371482 /nfs/dbraw/zinc/37/14/82/567371482.db2.gz WYFNWFJJBNOUTR-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN COCCN(Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](C)c1ccccc1 ZINC000568987528 567371870 /nfs/dbraw/zinc/37/18/70/567371870.db2.gz NTUTVFMNOUFTGG-AWEZNQCLSA-N 0 1 382.913 3.197 20 0 GGADMN C[C@@H](NCCc1ccnn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000549065000 567372094 /nfs/dbraw/zinc/37/20/94/567372094.db2.gz CZNQYBUIKUUMSR-LLVKDONJSA-N 0 1 376.258 3.126 20 0 GGADMN CC[C@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)O1 ZINC000501216133 567372728 /nfs/dbraw/zinc/37/27/28/567372728.db2.gz GBZFFRXZPDFHDD-YOEHRIQHSA-N 0 1 396.329 3.097 20 0 GGADMN CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000569003371 567372865 /nfs/dbraw/zinc/37/28/65/567372865.db2.gz NCHKKTAJTDZCNT-ZYHUDNBSSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000569003371 567372870 /nfs/dbraw/zinc/37/28/70/567372870.db2.gz NCHKKTAJTDZCNT-ZYHUDNBSSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000569003361 567372934 /nfs/dbraw/zinc/37/29/34/567372934.db2.gz NCHKKTAJTDZCNT-CMPLNLGQSA-N 0 1 394.212 3.115 20 0 GGADMN CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)[C@@H](C(=O)[O-])C1 ZINC000569003361 567372937 /nfs/dbraw/zinc/37/29/37/567372937.db2.gz NCHKKTAJTDZCNT-CMPLNLGQSA-N 0 1 394.212 3.115 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1N1CCCC1 ZINC000477117734 567373035 /nfs/dbraw/zinc/37/30/35/567373035.db2.gz JMNFSUBFULXLRT-CHWSQXEVSA-N 0 1 395.377 3.194 20 0 GGADMN CN1CCN(c2ccc(Br)cc2NC(=O)CCc2ccoc2)CC1 ZINC000501241304 567373468 /nfs/dbraw/zinc/37/34/68/567373468.db2.gz PBWBZXISRYNQEU-UHFFFAOYSA-N 0 1 392.297 3.365 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1N1CCCC1 ZINC000477134634 567373652 /nfs/dbraw/zinc/37/36/52/567373652.db2.gz IPCBYYQMRXOCGW-HUUCEWRRSA-N 0 1 395.377 3.194 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H]1N1CCCC1 ZINC000477135049 567374009 /nfs/dbraw/zinc/37/40/09/567374009.db2.gz IWTXAKKHSLCYEI-RTBURBONSA-N 0 1 376.547 3.040 20 0 GGADMN Cc1ccccc1-c1nc(CNS(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000477137974 567374039 /nfs/dbraw/zinc/37/40/39/567374039.db2.gz NTAJTGLAEMWLQA-UHFFFAOYSA-N 0 1 381.816 3.316 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@@H]1N1CCCC1 ZINC000477135048 567374149 /nfs/dbraw/zinc/37/41/49/567374149.db2.gz IWTXAKKHSLCYEI-RBUKOAKNSA-N 0 1 376.547 3.040 20 0 GGADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCCC1 ZINC000477134926 567374182 /nfs/dbraw/zinc/37/41/82/567374182.db2.gz IPCBYYQMRXOCGW-LSDHHAIUSA-N 0 1 395.377 3.194 20 0 GGADMN CC[C@@](C)(OC)C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000435525443 567374163 /nfs/dbraw/zinc/37/41/63/567374163.db2.gz JSNAQURDLLMNNJ-MRXNPFEDSA-N 0 1 386.470 3.442 20 0 GGADMN C[C@@H](CO)[C@H]1CCCCN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000661437031 567374378 /nfs/dbraw/zinc/37/43/78/567374378.db2.gz YAVWVCXFZISHRQ-SWLSCSKDSA-N 0 1 380.286 3.482 20 0 GGADMN CC[C@H](SC)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501247351 567374710 /nfs/dbraw/zinc/37/47/10/567374710.db2.gz ITBIJOGSCNMAPU-HNNXBMFYSA-N 0 1 386.359 3.281 20 0 GGADMN CN(C(=O)c1csc(=NC2CC2)[nH]1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618342345 567374792 /nfs/dbraw/zinc/37/47/92/567374792.db2.gz XYGVESNSNYMLJC-ZDUSSCGKSA-N 0 1 386.304 3.252 20 0 GGADMN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1n[nH]c2ccccc21 ZINC000477159964 567376130 /nfs/dbraw/zinc/37/61/30/567376130.db2.gz WVXZYVZEXDUTLL-UHFFFAOYSA-N 0 1 398.220 3.305 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3)C2)sc1Br ZINC000435590903 567377234 /nfs/dbraw/zinc/37/72/34/567377234.db2.gz AHRIVINIWMZOFT-HAQNSBGRSA-N 0 1 387.324 3.439 20 0 GGADMN COCC[C@@]1(NCc2cc(Cl)ccc2I)CCOC1 ZINC000593027854 567379445 /nfs/dbraw/zinc/37/94/45/567379445.db2.gz XWHSECIVAQMUJU-CQSZACIVSA-N 0 1 395.668 3.230 20 0 GGADMN Cn1nnc2cc(CN3CCN(c4ccc(Br)cc4)CC3)ccc21 ZINC000661575841 567380138 /nfs/dbraw/zinc/38/01/38/567380138.db2.gz CEJWKIYHORDEON-UHFFFAOYSA-N 0 1 386.297 3.053 20 0 GGADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)ns1 ZINC000435609707 567380160 /nfs/dbraw/zinc/38/01/60/567380160.db2.gz BEVRUTJKNVFBCG-UHFFFAOYSA-N 0 1 395.326 3.218 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(Br)c(Cl)c1 ZINC000477212369 567380556 /nfs/dbraw/zinc/38/05/56/567380556.db2.gz CVWXVKJXBKZJGO-UHFFFAOYSA-N 0 1 377.629 3.357 20 0 GGADMN O=C(CCN1CCN(c2ccc(Br)cc2)CC1)NC1CCCC1 ZINC000661577015 567380743 /nfs/dbraw/zinc/38/07/43/567380743.db2.gz UEQYFDWJAUCTTN-UHFFFAOYSA-N 0 1 380.330 3.020 20 0 GGADMN CC[C@@H]1C[C@H]1NS(=O)(=O)c1scc(Br)c1Br ZINC000435650417 567381147 /nfs/dbraw/zinc/38/11/47/567381147.db2.gz HCZIVZKNPJOFKC-IYSWYEEDSA-N 0 1 389.134 3.350 20 0 GGADMN OCC1(NCc2cc(Cl)ccc2I)CCSCC1 ZINC000593033408 567381267 /nfs/dbraw/zinc/38/12/67/567381267.db2.gz PZBVHSMVMOZSQF-UHFFFAOYSA-N 0 1 397.709 3.292 20 0 GGADMN C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc(F)c(Br)cc1F ZINC000527875009 567381282 /nfs/dbraw/zinc/38/12/82/567381282.db2.gz AEIRGIPZZPVVBT-YHAQOWFVSA-N 0 1 391.256 3.014 20 0 GGADMN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cc(F)c(Br)cc1F ZINC000527884587 567381776 /nfs/dbraw/zinc/38/17/76/567381776.db2.gz RIMJXTMVVZBOAM-MNOVXSKESA-N 0 1 392.240 3.300 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000477232764 567381870 /nfs/dbraw/zinc/38/18/70/567381870.db2.gz JUAYKKDGECOUSN-ZJUUUORDSA-N 0 1 383.315 3.488 20 0 GGADMN C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc(F)c(Br)cc1F ZINC000527875006 567381889 /nfs/dbraw/zinc/38/18/89/567381889.db2.gz AEIRGIPZZPVVBT-AMJWSMQMSA-N 0 1 391.256 3.014 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(Br)o1 ZINC000435631664 567381985 /nfs/dbraw/zinc/38/19/85/567381985.db2.gz GIVIEXPNBQQKPZ-ZDUSSCGKSA-N 0 1 391.331 3.118 20 0 GGADMN O=S(=O)([N-]C[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(Br)o1 ZINC000435631664 567381989 /nfs/dbraw/zinc/38/19/89/567381989.db2.gz GIVIEXPNBQQKPZ-ZDUSSCGKSA-N 0 1 391.331 3.118 20 0 GGADMN CCc1nc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Br)cc2)n[nH]1 ZINC000477232763 567382032 /nfs/dbraw/zinc/38/20/32/567382032.db2.gz JUAYKKDGECOUSN-VHSXEESVSA-N 0 1 383.315 3.488 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3ncc(-c4cccc(Br)c4)o3)CC[C@H]2N1 ZINC000661597579 567382803 /nfs/dbraw/zinc/38/28/03/567382803.db2.gz AXUQXWUXXNBZGI-UKRRQHHQSA-N 0 1 390.281 3.205 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CSc2ccc(Br)cc2C)n[nH]1 ZINC000477267602 567383783 /nfs/dbraw/zinc/38/37/83/567383783.db2.gz VDEOGACUQPWXNQ-JTQLQIEISA-N 0 1 383.315 3.408 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000477259362 567383877 /nfs/dbraw/zinc/38/38/77/567383877.db2.gz BVVLYCIRXOVYER-NXEZZACHSA-N 0 1 399.264 3.474 20 0 GGADMN OCC1(O)CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000661617514 567384092 /nfs/dbraw/zinc/38/40/92/567384092.db2.gz GFWOLCPDCAMTAB-UHFFFAOYSA-N 0 1 377.897 3.035 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000477259363 567384255 /nfs/dbraw/zinc/38/42/55/567384255.db2.gz BVVLYCIRXOVYER-UWVGGRQHSA-N 0 1 399.264 3.474 20 0 GGADMN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CN(C)[C@@H]1CCSC1 ZINC000501362942 567384353 /nfs/dbraw/zinc/38/43/53/567384353.db2.gz ZKXLPQGVRPWLGG-BLLLJJGKSA-N 0 1 383.355 3.160 20 0 GGADMN Cc1nnc(SCCC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)[nH]1 ZINC000501366513 567384461 /nfs/dbraw/zinc/38/44/61/567384461.db2.gz RMZWNUXZPVXKKF-SNVBAGLBSA-N 0 1 395.326 3.331 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000477259365 567384407 /nfs/dbraw/zinc/38/44/07/567384407.db2.gz BVVLYCIRXOVYER-VHSXEESVSA-N 0 1 399.264 3.474 20 0 GGADMN CN(CC1=CCCOC1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000618377718 567385081 /nfs/dbraw/zinc/38/50/81/567385081.db2.gz ZVKFCVIDXCRVSX-UHFFFAOYSA-N 0 1 376.254 3.258 20 0 GGADMN CC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000527949301 567386637 /nfs/dbraw/zinc/38/66/37/567386637.db2.gz JZPLJYSYWYCHRS-CQSZACIVSA-N 0 1 383.945 3.285 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(I)cc2)n[nH]1 ZINC000477291578 567386801 /nfs/dbraw/zinc/38/68/01/567386801.db2.gz AGIVYUBUFQZNIP-VIFPVBQESA-N 0 1 384.221 3.024 20 0 GGADMN COc1ccccc1CCNC(=O)CNCc1ccc(C)c(Br)c1 ZINC000435750593 567387332 /nfs/dbraw/zinc/38/73/32/567387332.db2.gz YOTPGUVGRPPJST-UHFFFAOYSA-N 0 1 391.309 3.215 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)CCSc2ccc(Br)cc2)n[nH]1 ZINC000477298194 567387304 /nfs/dbraw/zinc/38/73/04/567387304.db2.gz OPZQPGOXMVZLQY-SNVBAGLBSA-N 0 1 383.315 3.489 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)COc2ccc(F)cc2Br)n[nH]1 ZINC000477295592 567387401 /nfs/dbraw/zinc/38/74/01/567387401.db2.gz GASGATPWQUZFOZ-VIFPVBQESA-N 0 1 385.237 3.086 20 0 GGADMN Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N1CCc2[nH]nnc2C1 ZINC000435757009 567387548 /nfs/dbraw/zinc/38/75/48/567387548.db2.gz WYMQBOSYRTWPIJ-UHFFFAOYSA-N 0 1 378.219 3.273 20 0 GGADMN COC(=O)[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC000593130358 567387947 /nfs/dbraw/zinc/38/79/47/567387947.db2.gz WOCZZTDZBSLYTK-NYOFJVTHSA-N 0 1 390.332 3.232 20 0 GGADMN O=C(CCN[C@@H]1COc2cc(F)c(Br)cc21)Nc1cccnc1 ZINC000569214913 567387778 /nfs/dbraw/zinc/38/77/78/567387778.db2.gz XNPZUZMTGGBOFZ-CQSZACIVSA-N 0 1 380.217 3.035 20 0 GGADMN Cc1ccc(I)cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000477323138 567388006 /nfs/dbraw/zinc/38/80/06/567388006.db2.gz OZBBIJNQGCWKCD-SNVBAGLBSA-N 0 1 398.248 3.332 20 0 GGADMN CC[C@@H](C)N1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000456523119 567388055 /nfs/dbraw/zinc/38/80/55/567388055.db2.gz FEYBHEUOLFMDBV-GFCCVEGCSA-N 0 1 392.297 3.259 20 0 GGADMN CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000435773856 567388016 /nfs/dbraw/zinc/38/80/16/567388016.db2.gz XKSNWWDILSUBJA-HNNXBMFYSA-N 0 1 382.526 3.315 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2[nH]nc(-c3ccccc3)c2Br)n[nH]1 ZINC000477325490 567388377 /nfs/dbraw/zinc/38/83/77/567388377.db2.gz UPUCAGOZRLLAFR-VIFPVBQESA-N 0 1 389.257 3.011 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)N1CCN(CCc2ccnn2C)CC1 ZINC000549350998 567388413 /nfs/dbraw/zinc/38/84/13/567388413.db2.gz FLSIUNXETNSSRX-HNNXBMFYSA-N 0 1 377.330 3.104 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2cccc(I)c2)n[nH]1 ZINC000477311821 567388785 /nfs/dbraw/zinc/38/87/85/567388785.db2.gz UTOMEUIGGMUTTO-VIFPVBQESA-N 0 1 384.221 3.024 20 0 GGADMN CC(C)[C@@H](CNCc1c(F)ccc(Br)c1F)N1CCOCC1 ZINC000501423716 567388898 /nfs/dbraw/zinc/38/88/98/567388898.db2.gz OFKBHRIMGDHAGD-OAHLLOKOSA-N 0 1 377.273 3.174 20 0 GGADMN Cc1c(I)cccc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000477328559 567388963 /nfs/dbraw/zinc/38/89/63/567388963.db2.gz ZCZKMPPWUTXSLN-JTQLQIEISA-N 0 1 398.248 3.332 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCN([C@H](C)CC)CC2)cc1OC ZINC000456543364 567389241 /nfs/dbraw/zinc/38/92/41/567389241.db2.gz FKNUVFLJQOXWCF-CYBMUJFWSA-N 0 1 399.329 3.413 20 0 GGADMN CCOc1c(Br)cc(C(=O)N2CCN([C@@H](C)CC)CC2)cc1OC ZINC000456543365 567389605 /nfs/dbraw/zinc/38/96/05/567389605.db2.gz FKNUVFLJQOXWCF-ZDUSSCGKSA-N 0 1 399.329 3.413 20 0 GGADMN CC(=O)NCCN(Cc1cc(Br)ccc1F)C1CCSCC1 ZINC000549408491 567390080 /nfs/dbraw/zinc/39/00/80/567390080.db2.gz OEUCQNAFRAHOTE-UHFFFAOYSA-N 0 1 389.334 3.422 20 0 GGADMN C[C@@H](CO)N(CC1CCC1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000435841438 567391089 /nfs/dbraw/zinc/39/10/89/567391089.db2.gz AQTINSUUGJIPHJ-LBPRGKRZSA-N 0 1 392.297 3.462 20 0 GGADMN Cc1nc2cccc(C(=O)NCC(=O)Nc3cccc(Br)c3)c2[nH]1 ZINC000549414806 567391022 /nfs/dbraw/zinc/39/10/22/567391022.db2.gz GJIDZHZXPWFRNP-UHFFFAOYSA-N 0 1 387.237 3.002 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000456552434 567391193 /nfs/dbraw/zinc/39/11/93/567391193.db2.gz NEWKCUUOHASYII-AWEZNQCLSA-N 0 1 391.313 3.191 20 0 GGADMN CC[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1Cl ZINC000569249346 567391197 /nfs/dbraw/zinc/39/11/97/567391197.db2.gz GHXLRVVMCPSEDL-FZMZJTMJSA-N 0 1 395.750 3.177 20 0 GGADMN Cc1c([C@@H](C)NC[C@@H](CO)C2CC2)nnn1-c1cccc(Br)c1 ZINC000569278236 567392063 /nfs/dbraw/zinc/39/20/63/567392063.db2.gz XCHVPWWPLYSKKY-RISCZKNCSA-N 0 1 379.302 3.007 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@H](C)C1 ZINC000569286764 567392142 /nfs/dbraw/zinc/39/21/42/567392142.db2.gz IPOCTNDVKZNIRO-VXGBXAGGSA-N 0 1 392.297 3.258 20 0 GGADMN O[C@@H](COCc1ccco1)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466355 567392282 /nfs/dbraw/zinc/39/22/82/567392282.db2.gz FBRPYROLWMKYGL-GRYCIOLGSA-N 0 1 375.309 3.220 20 0 GGADMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)C1 ZINC000569286763 567392669 /nfs/dbraw/zinc/39/26/69/567392669.db2.gz IPOCTNDVKZNIRO-TXEJJXNPSA-N 0 1 392.297 3.258 20 0 GGADMN CCN1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)C1 ZINC000569286763 567392674 /nfs/dbraw/zinc/39/26/74/567392674.db2.gz IPOCTNDVKZNIRO-TXEJJXNPSA-N 0 1 392.297 3.258 20 0 GGADMN CCN1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)C1 ZINC000569286762 567392748 /nfs/dbraw/zinc/39/27/48/567392748.db2.gz IPOCTNDVKZNIRO-RYUDHWBXSA-N 0 1 392.297 3.258 20 0 GGADMN CNC(C)(C)c1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1 ZINC000640761864 567393494 /nfs/dbraw/zinc/39/34/94/567393494.db2.gz DUWZYSIMHVLMNA-UHFFFAOYSA-N 0 1 376.675 3.332 20 0 GGADMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000435889048 567393651 /nfs/dbraw/zinc/39/36/51/567393651.db2.gz QSWLERHLOCDKRQ-CMPLNLGQSA-N 0 1 379.302 3.477 20 0 GGADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1cc(Br)ccc1Cl ZINC000618487889 567393595 /nfs/dbraw/zinc/39/35/95/567393595.db2.gz GYLINEDBLHOKKX-CYBMUJFWSA-N 0 1 392.644 3.135 20 0 GGADMN O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000661803139 567394027 /nfs/dbraw/zinc/39/40/27/567394027.db2.gz MQYJBYKJXHHITF-HNNXBMFYSA-N 0 1 386.323 3.247 20 0 GGADMN O=C(NCc1ccc(Cl)c(Cl)c1)N1CCC(CN2CCOCC2)CC1 ZINC000661800639 567394312 /nfs/dbraw/zinc/39/43/12/567394312.db2.gz XGQYBSOGOSZIGS-UHFFFAOYSA-N 0 1 386.323 3.247 20 0 GGADMN CC(=O)Nc1ncccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435900294 567395080 /nfs/dbraw/zinc/39/50/80/567395080.db2.gz AJYKYVQROOWFBO-UHFFFAOYSA-N 0 1 378.212 3.287 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)ncn3C)cc1OC ZINC000569305746 567395077 /nfs/dbraw/zinc/39/50/77/567395077.db2.gz PKFIDPNAXQZCHF-UHFFFAOYSA-N 0 1 381.841 3.045 20 0 GGADMN Cc1cc(C)[nH+]c(S([O-])=CC(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000618534138 567396382 /nfs/dbraw/zinc/39/63/82/567396382.db2.gz OUWMTJPYKWFFBW-XMMPIXPASA-N 0 1 385.316 3.472 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2ccc(Br)c(Cl)c2)C[C@H](C)O1 ZINC000477476445 567396498 /nfs/dbraw/zinc/39/64/98/567396498.db2.gz FGRYYXUNQOSLHR-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN CN[C@H](C)c1cn([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000640818411 567396987 /nfs/dbraw/zinc/39/69/87/567396987.db2.gz BZGAITAORGEWLV-RKDXNWHRSA-N 0 1 375.782 3.430 20 0 GGADMN O=C([O-])C1CC[NH+](Cc2cn(CCSc3ccc(Cl)cc3)nn2)CC1 ZINC000640839784 567398316 /nfs/dbraw/zinc/39/83/16/567398316.db2.gz XGPRUSSRLXYISQ-UHFFFAOYSA-N 0 1 380.901 3.020 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000593215328 567398656 /nfs/dbraw/zinc/39/86/56/567398656.db2.gz CWCWNDUIHIOOMY-XYVMCAHJSA-N 0 1 383.319 3.155 20 0 GGADMN CN[C@H](C)c1cn(Cc2csc(-c3ccc(Br)cc3)n2)nn1 ZINC000640845451 567398825 /nfs/dbraw/zinc/39/88/25/567398825.db2.gz SCWPWFAOFDUVSD-SNVBAGLBSA-N 0 1 378.299 3.493 20 0 GGADMN CN[C@@H](C)c1cn(Cc2csc(-c3ccc(Br)cc3)n2)nn1 ZINC000640845449 567398834 /nfs/dbraw/zinc/39/88/34/567398834.db2.gz SCWPWFAOFDUVSD-JTQLQIEISA-N 0 1 378.299 3.493 20 0 GGADMN O=C(CNC1(c2ccc(Br)cc2)CC1)NCCOc1ccccc1 ZINC000477509588 567398908 /nfs/dbraw/zinc/39/89/08/567398908.db2.gz ACIVILPDGCVNNH-UHFFFAOYSA-N 0 1 389.293 3.223 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000593215931 567399307 /nfs/dbraw/zinc/39/93/07/567399307.db2.gz QUZVJBLEHFCVNQ-XWIAVFTESA-N 0 1 385.335 3.230 20 0 GGADMN 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/nfs/dbraw/zinc/42/39/90/567423990.db2.gz KUNXHVQFPXGVPY-UMVBOHGHSA-N 0 1 390.285 3.012 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCN(CC2CC2)CC1 ZINC000550036096 567424795 /nfs/dbraw/zinc/42/47/95/567424795.db2.gz ZLYTYCIXJFYFBH-CYBMUJFWSA-N 0 1 398.320 3.256 20 0 GGADMN CCN1CCN(CC(C)(C)NC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000456909902 567425141 /nfs/dbraw/zinc/42/51/41/567425141.db2.gz ZHTPNYXQMKJMRD-OAHLLOKOSA-N 0 1 396.373 3.085 20 0 GGADMN COc1ccc(Br)cc1C[NH+]1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000569701083 567425152 /nfs/dbraw/zinc/42/51/52/567425152.db2.gz RWHUQUYBUOXYJE-UHFFFAOYSA-N 0 1 394.269 3.190 20 0 GGADMN O=S(=O)(CCO)c1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000477923817 567426010 /nfs/dbraw/zinc/42/60/10/567426010.db2.gz CCKCDCQHCRDPSZ-KRWDZBQOSA-N 0 1 397.949 3.433 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000569723923 567426655 /nfs/dbraw/zinc/42/66/55/567426655.db2.gz RELMQPIMQCGESH-INIZCTEOSA-N 0 1 391.313 3.157 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000569723739 567426702 /nfs/dbraw/zinc/42/67/02/567426702.db2.gz LYNHGVVJBHBZHK-VXGBXAGGSA-N 0 1 391.313 3.074 20 0 GGADMN CNS(=O)(=O)C[C@@H]1CCCN1C/C(C)=C/c1ccccc1C(F)(F)F ZINC000502281355 567426766 /nfs/dbraw/zinc/42/67/66/567426766.db2.gz HVHLPEUGATXCSI-VOMSXAGXSA-N 0 1 376.444 3.122 20 0 GGADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)c1ccc(SC)cc1 ZINC000436477296 567426923 /nfs/dbraw/zinc/42/69/23/567426923.db2.gz LUCXMLNIKGTDBX-GFCCVEGCSA-N 0 1 385.429 3.059 20 0 GGADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000569723732 567426911 /nfs/dbraw/zinc/42/69/11/567426911.db2.gz LYNHGVVJBHBZHK-RYUDHWBXSA-N 0 1 391.313 3.074 20 0 GGADMN COc1ccc([C@H](NCc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000569728230 567427296 /nfs/dbraw/zinc/42/72/96/567427296.db2.gz WYJADMKJLDTEPQ-GOSISDBHSA-N 0 1 380.897 3.237 20 0 GGADMN COC[C@@H]1CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000456939443 567428031 /nfs/dbraw/zinc/42/80/31/567428031.db2.gz OJBYHBODHPDMMS-ZDUSSCGKSA-N 0 1 378.270 3.480 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)C2(c3cncc(Br)c3)CC2)c1 ZINC000436483922 567428313 /nfs/dbraw/zinc/42/83/13/567428313.db2.gz GVCFCNKVIPIYKP-UHFFFAOYSA-N 0 1 375.222 3.423 20 0 GGADMN Brc1ccc(CN2CCC[C@H](N3CCOCC3)C2)c2ncccc12 ZINC000569739804 567428832 /nfs/dbraw/zinc/42/88/32/567428832.db2.gz RTQZYCMWXQJXPQ-INIZCTEOSA-N 0 1 390.325 3.294 20 0 GGADMN CCN(CCOCCO)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000502347355 567429190 /nfs/dbraw/zinc/42/91/90/567429190.db2.gz TYNGRFXPOGZEPP-UHFFFAOYSA-N 0 1 396.329 3.082 20 0 GGADMN CN1CCC[C@H](CNS(=O)(=O)CC[C@@H]2CCCCO2)[C@H]1c1cccs1 ZINC000641353334 567429318 /nfs/dbraw/zinc/42/93/18/567429318.db2.gz SKMLQUIXDBRXGP-RYRKJORJSA-N 0 1 386.583 3.010 20 0 GGADMN COCCS(=O)(=O)Nc1ccc2c(Cl)ccc(Br)c2n1 ZINC000569781383 567431559 /nfs/dbraw/zinc/43/15/59/567431559.db2.gz XJYZVVJQYZUPCW-UHFFFAOYSA-N 0 1 379.663 3.039 20 0 GGADMN CC(C)[C@H]1CN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCO1 ZINC000550186874 567431904 /nfs/dbraw/zinc/43/19/04/567431904.db2.gz QMNZDJTYPPQIMX-IAGOWNOFSA-N 0 1 381.314 3.301 20 0 GGADMN COc1cc(CNC(=O)c2ccc(F)cc2O)cc(Br)c1OC ZINC000436535679 567432869 /nfs/dbraw/zinc/43/28/69/567432869.db2.gz OEXNZJUEJUNLOP-UHFFFAOYSA-N 0 1 384.201 3.241 20 0 GGADMN CN1CC[C@@H](NCc2coc(S(C)(=O)=O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000528511956 567432938 /nfs/dbraw/zinc/43/29/38/567432938.db2.gz ZSAOAQDXYFTXKB-WBVHZDCISA-N 0 1 386.876 3.011 20 0 GGADMN Cc1ncc(C(=O)NCc2nc3cccc(Br)c3[nH]2)c(C(C)C)n1 ZINC000457025815 567433168 /nfs/dbraw/zinc/43/31/68/567433168.db2.gz FLNCJJGJAYPPHS-UHFFFAOYSA-N 0 1 388.269 3.477 20 0 GGADMN COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436541348 567433294 /nfs/dbraw/zinc/43/32/94/567433294.db2.gz ZYFLIEKMOIHUTC-LLVKDONJSA-N 0 1 379.865 3.320 20 0 GGADMN CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000436548212 567433329 /nfs/dbraw/zinc/43/33/29/567433329.db2.gz TTYKJZRMCRPWSV-NSHDSACASA-N 0 1 392.279 3.377 20 0 GGADMN CC[N@@H+](CCNC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)C1CC1 ZINC000478039278 567433556 /nfs/dbraw/zinc/43/35/56/567433556.db2.gz IESGHFQDJFECFJ-UHFFFAOYSA-N 0 1 382.295 3.097 20 0 GGADMN Cc1cc(Cl)cc(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)c1 ZINC000550218572 567433876 /nfs/dbraw/zinc/43/38/76/567433876.db2.gz QXSYMHKFBJGIMA-UHFFFAOYSA-N 0 1 381.929 3.100 20 0 GGADMN CC[C@H](C)CS(=O)(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000502422471 567433817 /nfs/dbraw/zinc/43/38/17/567433817.db2.gz YUTDVNGOUUFUAI-AWEZNQCLSA-N 0 1 380.476 3.445 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1c(O)cc(Cl)cc1Cl ZINC000436537106 567433897 /nfs/dbraw/zinc/43/38/97/567433897.db2.gz FREWMZZRINRCNO-CQSZACIVSA-N 0 1 379.243 3.230 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000457042766 567434160 /nfs/dbraw/zinc/43/41/60/567434160.db2.gz PNOCISJEXYDTAM-FOSCPWQOSA-N 0 1 390.281 3.337 20 0 GGADMN CC[C@@H](C)CS(=O)(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000502422472 567434170 /nfs/dbraw/zinc/43/41/70/567434170.db2.gz YUTDVNGOUUFUAI-CQSZACIVSA-N 0 1 380.476 3.445 20 0 GGADMN Cc1c(C(=O)NCc2nc3cccc(Br)c3[nH]2)cnn1C(C)C ZINC000457033527 567434542 /nfs/dbraw/zinc/43/45/42/567434542.db2.gz JENJIIHJTKRHOB-UHFFFAOYSA-N 0 1 376.258 3.341 20 0 GGADMN CS(=O)(=O)Cc1ccc(CNC(=O)c2c(O)cc(Cl)cc2Cl)cc1 ZINC000436565176 567434868 /nfs/dbraw/zinc/43/48/68/567434868.db2.gz TVEBRPIXFSZMTE-UHFFFAOYSA-N 0 1 388.272 3.174 20 0 GGADMN CN(CCOc1cccc(Cl)c1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569832237 567435600 /nfs/dbraw/zinc/43/56/00/567435600.db2.gz RONVULDFVYZKDD-UHFFFAOYSA-N 0 1 389.304 3.152 20 0 GGADMN CC(C)(C(=O)NCc1nc2cccc(Br)c2[nH]1)C1CCOCC1 ZINC000457064185 567435847 /nfs/dbraw/zinc/43/58/47/567435847.db2.gz QWLAPRRUEZHVMD-UHFFFAOYSA-N 0 1 380.286 3.394 20 0 GGADMN CC(C)c1nnc(CCC(=O)NCc2nc3cccc(Br)c3[nH]2)o1 ZINC000457060210 567435881 /nfs/dbraw/zinc/43/58/81/567435881.db2.gz ONDYJMYHBPAONK-UHFFFAOYSA-N 0 1 392.257 3.081 20 0 GGADMN Cc1cc2sc(NC(=O)c3ccccc3NS(C)(=O)=O)nc2cc1F ZINC000478068622 567435833 /nfs/dbraw/zinc/43/58/33/567435833.db2.gz TWCWUZGJWJMCJI-UHFFFAOYSA-N 0 1 379.438 3.368 20 0 GGADMN CC[C@H](C)CS(=O)(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000502436896 567436088 /nfs/dbraw/zinc/43/60/88/567436088.db2.gz LQKOJICLZAZYCY-AWEZNQCLSA-N 0 1 391.375 3.189 20 0 GGADMN Cc1nn(C(C)C)cc1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000569825307 567436313 /nfs/dbraw/zinc/43/63/13/567436313.db2.gz NRMFIXMYOVVESN-UHFFFAOYSA-N 0 1 376.258 3.341 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457059337 567436249 /nfs/dbraw/zinc/43/62/49/567436249.db2.gz NXZQICZDABZGDG-QMMMGPOBSA-N 0 1 376.258 3.085 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000457068441 567436414 /nfs/dbraw/zinc/43/64/14/567436414.db2.gz UKMITQUTGMDUSR-GFCCVEGCSA-N 0 1 385.265 3.457 20 0 GGADMN CC(C)Cn1cc(C(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000457062892 567436730 /nfs/dbraw/zinc/43/67/30/567436730.db2.gz PVFBFYXVKKOOLK-UHFFFAOYSA-N 0 1 376.258 3.108 20 0 GGADMN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)cc1O ZINC000436593618 567437538 /nfs/dbraw/zinc/43/75/38/567437538.db2.gz BUORGJNQQRMIBE-UHFFFAOYSA-N 0 1 382.210 3.433 20 0 GGADMN C[C@@H]1COCCN1C1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000569862803 567437687 /nfs/dbraw/zinc/43/76/87/567437687.db2.gz KAGJFHZVQKNXCS-CYBMUJFWSA-N 0 1 394.313 3.275 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000457071644 567438509 /nfs/dbraw/zinc/43/85/09/567438509.db2.gz WWAHRVBSMJXWQA-UHFFFAOYSA-N 0 1 393.310 3.379 20 0 GGADMN C[C@@H](NC(=O)CN1CCC(CCC(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000502505451 567438583 /nfs/dbraw/zinc/43/85/83/567438583.db2.gz CISJECRFPDCZBX-GFCCVEGCSA-N 0 1 386.323 3.148 20 0 GGADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@@H](CCCO)C1 ZINC000457107323 567439564 /nfs/dbraw/zinc/43/95/64/567439564.db2.gz GADVACXGFAUWQP-GFCCVEGCSA-N 0 1 378.270 3.074 20 0 GGADMN COc1cc(Br)c(CNC(=O)c2ccc3cncn3c2)cc1OC ZINC000550300022 567440038 /nfs/dbraw/zinc/44/00/38/567440038.db2.gz RIAROPVIFOXJOH-UHFFFAOYSA-N 0 1 390.237 3.044 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3c(Cl)cncc3Cl)n2)cc1 ZINC000550300523 567440259 /nfs/dbraw/zinc/44/02/59/567440259.db2.gz VWGJDEZIPPUUKQ-UHFFFAOYSA-N 0 1 378.219 3.112 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3c(Cl)cncc3Cl)n[nH]2)cc1 ZINC000550300523 567440264 /nfs/dbraw/zinc/44/02/64/567440264.db2.gz VWGJDEZIPPUUKQ-UHFFFAOYSA-N 0 1 378.219 3.112 20 0 GGADMN Cn1ncc(Br)c1CNCCc1cnc(SC2CCCC2)nc1 ZINC000550311934 567440283 /nfs/dbraw/zinc/44/02/83/567440283.db2.gz RUBVFSPEODBTQU-UHFFFAOYSA-N 0 1 396.358 3.340 20 0 GGADMN CCNC(=O)[C@H](C)NCc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000478191360 567440605 /nfs/dbraw/zinc/44/06/05/567440605.db2.gz VIFSFEZDGMJBII-ZDUSSCGKSA-N 0 1 393.329 3.372 20 0 GGADMN CCC(=O)c1ccc(O)c(NC(=O)Cc2cc[nH]c(=O)c2Br)c1 ZINC000436649460 567440735 /nfs/dbraw/zinc/44/07/35/567440735.db2.gz WKSBPJOUTXGHCT-UHFFFAOYSA-N 0 1 379.210 3.029 20 0 GGADMN CSc1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000569882993 567440925 /nfs/dbraw/zinc/44/09/25/567440925.db2.gz WHJLGWVIWHSCEP-KXBFYZLASA-N 0 1 376.547 3.350 20 0 GGADMN NC(=O)[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1cccc(Br)c1 ZINC000502538296 567441046 /nfs/dbraw/zinc/44/10/46/567441046.db2.gz BIISNBXFJCWADG-JHJVBQTASA-N 0 1 377.229 3.116 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@H](C)Cc1ccc(Br)cc1 ZINC000457114882 567441184 /nfs/dbraw/zinc/44/11/84/567441184.db2.gz IWKIWDJVZQDGTB-SNVBAGLBSA-N 0 1 393.285 3.212 20 0 GGADMN OCCN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(F)cc1 ZINC000502533846 567441401 /nfs/dbraw/zinc/44/14/01/567441401.db2.gz GDQCZZYTMNVOIW-HNNXBMFYSA-N 0 1 388.266 3.367 20 0 GGADMN CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000436661904 567441819 /nfs/dbraw/zinc/44/18/19/567441819.db2.gz XNASZCZORTZARS-UHFFFAOYSA-N 0 1 382.247 3.451 20 0 GGADMN Brc1csc(-c2noc(CN3CCN(C4CCC4)CC3)n2)c1 ZINC000502553064 567442213 /nfs/dbraw/zinc/44/22/13/567442213.db2.gz GAEBBELBMXVGSZ-UHFFFAOYSA-N 0 1 383.315 3.231 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000436669984 567442264 /nfs/dbraw/zinc/44/22/64/567442264.db2.gz CHNRNPBHXPELRH-OAHLLOKOSA-N 0 1 381.245 3.327 20 0 GGADMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1cccnc1 ZINC000478217578 567442316 /nfs/dbraw/zinc/44/23/16/567442316.db2.gz FVGCRXYWKQWZAH-UHFFFAOYSA-N 0 1 378.270 3.313 20 0 GGADMN Cc1cc(CCC(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)ccc1Br ZINC000457118513 567442366 /nfs/dbraw/zinc/44/23/66/567442366.db2.gz LAWQSCFKFDEQDW-UHFFFAOYSA-N 0 1 393.285 3.274 20 0 GGADMN COCCc1noc(CC2CCN(Cc3ccccc3Br)CC2)n1 ZINC000528621732 567442580 /nfs/dbraw/zinc/44/25/80/567442580.db2.gz XMBGGRVTUATKKK-UHFFFAOYSA-N 0 1 394.313 3.476 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000457120583 567442695 /nfs/dbraw/zinc/44/26/95/567442695.db2.gz MUXGHZUEIBCTHP-SECBINFHSA-N 0 1 379.258 3.137 20 0 GGADMN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436662117 567442761 /nfs/dbraw/zinc/44/27/61/567442761.db2.gz HXCPXHSMFSKQIA-LBPRGKRZSA-N 0 1 375.730 3.423 20 0 GGADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1OC ZINC000436687420 567443428 /nfs/dbraw/zinc/44/34/28/567443428.db2.gz QUXLETBHZWOIEV-UHFFFAOYSA-N 0 1 384.841 3.068 20 0 GGADMN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(F)cc1O ZINC000436708154 567444467 /nfs/dbraw/zinc/44/44/67/567444467.db2.gz QQMVGWHWVVYBJN-UHFFFAOYSA-N 0 1 381.201 3.005 20 0 GGADMN O=C(c1c(O)cccc1F)N1CCN(c2cccc(Br)c2)CC1 ZINC000436719339 567445420 /nfs/dbraw/zinc/44/54/20/567445420.db2.gz HFFMNYSDEXGQGB-UHFFFAOYSA-N 0 1 379.229 3.256 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000569939967 567445496 /nfs/dbraw/zinc/44/54/96/567445496.db2.gz FDPHEPDKPSRURX-ZDUSSCGKSA-N 0 1 378.270 3.322 20 0 GGADMN COc1cc(OC)c(NC(=O)c2cc3c(s2)CCNC3)cc1Br ZINC000662533668 567446436 /nfs/dbraw/zinc/44/64/36/567446436.db2.gz BUJPOMNSXKYVJM-UHFFFAOYSA-N 0 1 397.294 3.426 20 0 GGADMN CC(C)[C@]1(CO)CCCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000550433017 567446412 /nfs/dbraw/zinc/44/64/12/567446412.db2.gz 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/nfs/dbraw/zinc/44/77/51/567447751.db2.gz JBMWCCQNKKTLCY-CQSZACIVSA-N 0 1 381.274 3.360 20 0 GGADMN COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000436733985 567447771 /nfs/dbraw/zinc/44/77/71/567447771.db2.gz JDESKWNENNVCJG-INIZCTEOSA-N 0 1 393.281 3.196 20 0 GGADMN CCC[C@H]1CNCCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000662554268 567447925 /nfs/dbraw/zinc/44/79/25/567447925.db2.gz TZECHLUXPDVQMJ-AWEZNQCLSA-N 0 1 378.270 3.318 20 0 GGADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc2cc(Br)cnc21 ZINC000528691850 567448018 /nfs/dbraw/zinc/44/80/18/567448018.db2.gz OKEYQUSLQUWZJU-HNNXBMFYSA-N 0 1 377.286 3.459 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC[N@H+]1C ZINC000436735561 567447949 /nfs/dbraw/zinc/44/79/49/567447949.db2.gz GQJFMYVIJUEPER-ZDUSSCGKSA-N 0 1 375.694 3.220 20 0 GGADMN C[C@@H]1COCCN1C1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000641654948 567448686 /nfs/dbraw/zinc/44/86/86/567448686.db2.gz USLWALHCMXBIQZ-LLVKDONJSA-N 0 1 397.342 3.143 20 0 GGADMN COC(=O)CCN(CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000502719430 567448816 /nfs/dbraw/zinc/44/88/16/567448816.db2.gz BENPEPMKBIPGQD-GFCCVEGCSA-N 0 1 375.296 3.444 20 0 GGADMN CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)nc1 ZINC000436742477 567448832 /nfs/dbraw/zinc/44/88/32/567448832.db2.gz VQCMAYRFARLTJW-UHFFFAOYSA-N 0 1 384.617 3.414 20 0 GGADMN COC(=O)c1cc(CNC(=O)c2c(O)cc(Cl)cc2Cl)ccc1OC ZINC000436754259 567448857 /nfs/dbraw/zinc/44/88/57/567448857.db2.gz IKLOXESJAJZJPQ-UHFFFAOYSA-N 0 1 384.215 3.424 20 0 GGADMN Cc1cc(Br)c(C(=O)N[C@H](C)c2nnc[nH]2)cc1Br ZINC000528705972 567449551 /nfs/dbraw/zinc/44/95/51/567449551.db2.gz PFVHGYPUNPXRLA-SSDOTTSWSA-N 0 1 388.063 3.129 20 0 GGADMN OC[C@@]1([C@@H](NCc2nc3cc(Br)ccc3o2)C2CC2)CCCO1 ZINC000550503644 567449685 /nfs/dbraw/zinc/44/96/85/567449685.db2.gz VJGFFJBTLCYZSO-DLBZAZTESA-N 0 1 381.270 3.000 20 0 GGADMN OC[C@]1([C@@H](NCc2c(F)ccc(Br)c2F)C2CC2)CCCO1 ZINC000550503004 567449926 /nfs/dbraw/zinc/44/99/26/567449926.db2.gz 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567450848 /nfs/dbraw/zinc/45/08/48/567450848.db2.gz MDEABLUAJCICMK-CHWSQXEVSA-N 0 1 377.363 3.191 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CCC[C@H](O)CC2)C1=O ZINC000550524657 567451007 /nfs/dbraw/zinc/45/10/07/567451007.db2.gz BPASZPQJAJSUPF-DLBZAZTESA-N 0 1 395.341 3.408 20 0 GGADMN C[C@H]1CCN(CCNC(=O)c2scc(Br)c2Br)C1 ZINC000528728880 567451877 /nfs/dbraw/zinc/45/18/77/567451877.db2.gz QINNBPVFQFBLOQ-QMMMGPOBSA-N 0 1 396.148 3.345 20 0 GGADMN O[C@@]1(CNCc2cc(Br)sc2Br)CCSC1 ZINC000641732234 567451937 /nfs/dbraw/zinc/45/19/37/567451937.db2.gz FRLWDRKYOOJQHN-SNVBAGLBSA-N 0 1 387.162 3.231 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc(F)cc1Br ZINC000478395143 567452223 /nfs/dbraw/zinc/45/22/23/567452223.db2.gz ZBOOMSVJQNQNSZ-UHFFFAOYSA-N 0 1 383.265 3.394 20 0 GGADMN CCN1CCN(C(=O)c2cc(I)c(C)cc2C)C[C@H]1C ZINC000619441055 567452716 /nfs/dbraw/zinc/45/27/16/567452716.db2.gz LJXSRSYGCCGIKF-CYBMUJFWSA-N 0 1 386.277 3.074 20 0 GGADMN C[C@@H]1CC(F)(F)CCN1C[C@H](O)COc1cc(F)cc(Br)c1 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CN(C)Cc1csc(NC(=O)c2ccc(CN3CCSCC3)cc2)n1 ZINC000457283184 567453649 /nfs/dbraw/zinc/45/36/49/567453649.db2.gz CPZGVHLTPFLPAN-UHFFFAOYSA-N 0 1 376.551 3.006 20 0 GGADMN CON1CCC(NCc2cc(Br)sc2Br)CC1 ZINC000641762035 567453865 /nfs/dbraw/zinc/45/38/65/567453865.db2.gz BTSQOPZSFDCKOK-UHFFFAOYSA-N 0 1 384.137 3.389 20 0 GGADMN Brc1cccc(OCCN[C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000550627098 567453973 /nfs/dbraw/zinc/45/39/73/567453973.db2.gz FCXWPKLUTNNWJB-AWEZNQCLSA-N 0 1 379.283 3.387 20 0 GGADMN OC[C@H](NCc1cc(Br)sc1Br)[C@@H]1CCCOC1 ZINC000641763218 567453986 /nfs/dbraw/zinc/45/39/86/567453986.db2.gz VTKSEPSHRVHAGU-SCZZXKLOSA-N 0 1 399.148 3.150 20 0 GGADMN COC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Br)c2O)n1 ZINC000436815368 567454318 /nfs/dbraw/zinc/45/43/18/567454318.db2.gz VKIGNWDOTBBAAF-UHFFFAOYSA-N 0 1 385.601 3.242 20 0 GGADMN OC[C@H](NCc1cc(Br)sc1Br)C1CCOCC1 ZINC000641747236 567454251 /nfs/dbraw/zinc/45/42/51/567454251.db2.gz HWWVIUMHZIPLIT-JTQLQIEISA-N 0 1 399.148 3.150 20 0 GGADMN COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl ZINC000594037419 567454611 /nfs/dbraw/zinc/45/46/11/567454611.db2.gz OVGBULXPGINWQN-LBPRGKRZSA-N 0 1 393.336 3.251 20 0 GGADMN O=C(Nc1sccc1C(=O)N1CCCOCC1)c1ccc(Cl)cc1O ZINC000436808227 567454635 /nfs/dbraw/zinc/45/46/35/567454635.db2.gz OAFUWNFVMWSUAE-UHFFFAOYSA-N 0 1 380.853 3.222 20 0 GGADMN CSc1ccc(F)cc1CN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550646741 567455199 /nfs/dbraw/zinc/45/51/99/567455199.db2.gz HKEUMUOBFJIEKL-QGZVFWFLSA-N 0 1 380.510 3.362 20 0 GGADMN O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000478438562 567455751 /nfs/dbraw/zinc/45/57/51/567455751.db2.gz MNVCAIQCOPYIMQ-AWEZNQCLSA-N 0 1 377.231 3.242 20 0 GGADMN CN(CC(=O)NCC1(c2ccccc2Br)CCC1)[C@@H]1CCSC1 ZINC000570069486 567455959 /nfs/dbraw/zinc/45/59/59/567455959.db2.gz SBFZZMVMSZJFHB-CQSZACIVSA-N 0 1 397.382 3.424 20 0 GGADMN CCOC(=O)CCN(CC(=O)Nc1ccc(C)cc1Br)C(C)C ZINC000594050389 567456132 /nfs/dbraw/zinc/45/61/32/567456132.db2.gz 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Cc1n[nH]c([C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)n1 ZINC000570142480 567461526 /nfs/dbraw/zinc/46/15/26/567461526.db2.gz CXRXZJWTLNHHET-JTQLQIEISA-N 0 1 379.251 3.459 20 0 GGADMN CSc1cccc(S(=O)(=O)Nc2ncc(-c3cncc(F)c3)cn2)c1 ZINC000550793084 567461811 /nfs/dbraw/zinc/46/18/11/567461811.db2.gz BDCMJHYAJYZLTC-UHFFFAOYSA-N 0 1 376.438 3.200 20 0 GGADMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000436881032 567462466 /nfs/dbraw/zinc/46/24/66/567462466.db2.gz QOYOXBMXVPTUKF-UHFFFAOYSA-N 0 1 384.251 3.467 20 0 GGADMN CC(C)(C)n1cc(Br)c(C(=O)N2CCNC[C@H]2c2ccccc2)n1 ZINC000662812363 567462640 /nfs/dbraw/zinc/46/26/40/567462640.db2.gz AJCLQOQTPPHDHV-HNNXBMFYSA-N 0 1 391.313 3.187 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000550821867 567463215 /nfs/dbraw/zinc/46/32/15/567463215.db2.gz KPEOAYKABSNJQY-LBPRGKRZSA-N 0 1 384.851 3.464 20 0 GGADMN CCS(=O)(=O)C[C@H](C)NCc1cc(Br)cc(Br)c1 ZINC000570194939 567464152 /nfs/dbraw/zinc/46/41/52/567464152.db2.gz BUQZIQXIAQYZER-VIFPVBQESA-N 0 1 399.148 3.124 20 0 GGADMN CC(C)Oc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1C(N)=O ZINC000478519583 567464342 /nfs/dbraw/zinc/46/43/42/567464342.db2.gz UDHUVVMADYQVDO-UHFFFAOYSA-N 0 1 393.237 3.293 20 0 GGADMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000436908373 567464427 /nfs/dbraw/zinc/46/44/27/567464427.db2.gz IRSDKKMDJZVHDG-SNVBAGLBSA-N 0 1 375.694 3.270 20 0 GGADMN Cc1cc(Br)c(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000457411564 567464667 /nfs/dbraw/zinc/46/46/67/567464667.db2.gz XHNLIBKJUSQRML-PHIMTYICSA-N 0 1 375.332 3.048 20 0 GGADMN O=C(Cc1noc(-c2ccc(Br)cc2O)n1)NCc1ccccc1 ZINC000436889217 567464870 /nfs/dbraw/zinc/46/48/70/567464870.db2.gz VKEGNYMXUJEPBP-UHFFFAOYSA-N 0 1 388.221 3.064 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(-c2noc(-c3ccc(Cl)cc3O)n2)cc1 ZINC000436910898 567465341 /nfs/dbraw/zinc/46/53/41/567465341.db2.gz OZBMZYVCORRNJM-UHFFFAOYSA-N 0 1 379.825 3.013 20 0 GGADMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1coc(CN)c1 ZINC000662859412 567465759 /nfs/dbraw/zinc/46/57/59/567465759.db2.gz OGQWKIPYVXAHIN-BZNIZROVSA-N 0 1 379.254 3.103 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570208465 567465905 /nfs/dbraw/zinc/46/59/05/567465905.db2.gz WYZRNOLFFLQEPD-CRAIPNDOSA-N 0 1 388.309 3.152 20 0 GGADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000570208467 567465934 /nfs/dbraw/zinc/46/59/34/567465934.db2.gz WYZRNOLFFLQEPD-MAUKXSAKSA-N 0 1 388.309 3.152 20 0 GGADMN COC(=O)[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(OC)c(Cl)c1 ZINC000436931184 567466504 /nfs/dbraw/zinc/46/65/04/567466504.db2.gz IUBUIMSJQBHBTQ-OAHLLOKOSA-N 0 1 384.215 3.352 20 0 GGADMN CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1conc1C(C)(C)N ZINC000662927503 567468928 /nfs/dbraw/zinc/46/89/28/567468928.db2.gz CIYRBYFITITRTK-CYBMUJFWSA-N 0 1 380.286 3.382 20 0 GGADMN O=C(N=c1[n-]nc(-c2ccsc2)s1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528933054 567469524 /nfs/dbraw/zinc/46/95/24/567469524.db2.gz DRRJVWZUDPFDKS-AWEZNQCLSA-N 0 1 377.539 3.217 20 0 GGADMN Cc1ccc(Oc2cc(Br)ccc2NC(=O)[C@@H]2CNCCO2)cc1 ZINC000662929317 567470150 /nfs/dbraw/zinc/47/01/50/567470150.db2.gz CRVLFFZOSNYJHV-KRWDZBQOSA-N 0 1 391.265 3.477 20 0 GGADMN COc1cccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1C ZINC000662948578 567470398 /nfs/dbraw/zinc/47/03/98/567470398.db2.gz XYNGJYIZTZSORR-GOSISDBHSA-N 0 1 377.282 3.256 20 0 GGADMN Cc1cc(Br)cn2cc(CNC(=O)c3ccc(F)cc3O)nc12 ZINC000436960029 567470277 /nfs/dbraw/zinc/47/02/77/567470277.db2.gz OYGUAXVIUAQXGX-UHFFFAOYSA-N 0 1 378.201 3.180 20 0 GGADMN COc1cccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1C ZINC000662948579 567470415 /nfs/dbraw/zinc/47/04/15/567470415.db2.gz XYNGJYIZTZSORR-SFHVURJKSA-N 0 1 377.282 3.256 20 0 GGADMN Cc1n[nH]c([C@@H]2CCN(Cc3cc(Br)ccc3OC(F)F)C2)n1 ZINC000570260268 567470729 /nfs/dbraw/zinc/47/07/29/567470729.db2.gz CCBHRPGVUDYPPH-SNVBAGLBSA-N 0 1 387.228 3.467 20 0 GGADMN Cc1nnc([C@@H]2CCN(Cc3cc(Br)ccc3OC(F)F)C2)[nH]1 ZINC000570260268 567470733 /nfs/dbraw/zinc/47/07/33/567470733.db2.gz CCBHRPGVUDYPPH-SNVBAGLBSA-N 0 1 387.228 3.467 20 0 GGADMN C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000550966228 567471194 /nfs/dbraw/zinc/47/11/94/567471194.db2.gz WVBFQBRYJILGKF-CYBMUJFWSA-N 0 1 380.794 3.246 20 0 GGADMN C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000550966228 567471197 /nfs/dbraw/zinc/47/11/97/567471197.db2.gz WVBFQBRYJILGKF-CYBMUJFWSA-N 0 1 380.794 3.246 20 0 GGADMN Cc1nc([C@H](C)NC(=O)c2scc(Br)c2Br)n[nH]1 ZINC000529376515 567510271 /nfs/dbraw/zinc/51/02/71/567510271.db2.gz BDWOCVWCSQAGQJ-BYPYZUCNSA-N 0 1 394.092 3.191 20 0 GGADMN COC(=O)C1(CNCc2c(Br)cc(OC)cc2OC)CCCC1 ZINC000619654439 567471526 /nfs/dbraw/zinc/47/15/26/567471526.db2.gz MRHWHQOPXWYIFZ-UHFFFAOYSA-N 0 1 386.286 3.289 20 0 GGADMN CC(C)COCCCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457526905 567471592 /nfs/dbraw/zinc/47/15/92/567471592.db2.gz QYFGEPQZOOEBAV-UHFFFAOYSA-N 0 1 383.290 3.187 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000642205426 567471823 /nfs/dbraw/zinc/47/18/23/567471823.db2.gz LZLCVWVBNDBYON-UHFFFAOYSA-N 0 1 399.208 3.265 20 0 GGADMN CN(Cc1ccc(Br)cc1Cl)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000570295471 567473352 /nfs/dbraw/zinc/47/33/52/567473352.db2.gz FMAFICNAYOOGPC-UHFFFAOYSA-N 0 1 398.692 3.440 20 0 GGADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCOc1ccccc1 ZINC000570286356 567473592 /nfs/dbraw/zinc/47/35/92/567473592.db2.gz JAITVEPSDBYWFH-QGZVFWFLSA-N 0 1 376.250 3.339 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c1Cl ZINC000478671872 567474446 /nfs/dbraw/zinc/47/44/46/567474446.db2.gz GACYPCKRXKEDNJ-UHFFFAOYSA-N 0 1 382.869 3.335 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)cs1 ZINC000457554031 567474664 /nfs/dbraw/zinc/47/46/64/567474664.db2.gz OGWGJNVJFPHWSB-BETUJISGSA-N 0 1 378.567 3.457 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1Br ZINC000478682243 567475345 /nfs/dbraw/zinc/47/53/45/567475345.db2.gz TWNWKAVZJIMQTR-UHFFFAOYSA-N 0 1 386.271 3.172 20 0 GGADMN CC(C)(CNC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccc(Br)cc1 ZINC000570326247 567475811 /nfs/dbraw/zinc/47/58/11/567475811.db2.gz GFCQRNYYWNIEHG-LBPRGKRZSA-N 0 1 392.301 3.044 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cccc3c2CCO3)c(Br)c1 ZINC000478695316 567475883 /nfs/dbraw/zinc/47/58/83/567475883.db2.gz KVRUCWFACXEPSM-UHFFFAOYSA-N 0 1 384.251 3.193 20 0 GGADMN CS[C@H]1CN(S(=O)(=O)c2oc3ccc(Cl)cc3c2C)C[C@H]1N(C)C ZINC000503247629 567476559 /nfs/dbraw/zinc/47/65/59/567476559.db2.gz RINOTDFPLAZPNP-HIFRSBDPSA-N 0 1 388.942 3.061 20 0 GGADMN CC(C)N(CC(=O)N(C)Cc1cnn(C)c1)Cc1cccc(Br)c1 ZINC000619735912 567476745 /nfs/dbraw/zinc/47/67/45/567476745.db2.gz LDFDFLGTJJIMOV-UHFFFAOYSA-N 0 1 393.329 3.052 20 0 GGADMN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)cn1 ZINC000478710442 567476792 /nfs/dbraw/zinc/47/67/92/567476792.db2.gz MJUNPJPGENIMPM-SNVBAGLBSA-N 0 1 383.857 3.231 20 0 GGADMN CC(C)c1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1 ZINC000478700687 567476934 /nfs/dbraw/zinc/47/69/34/567476934.db2.gz GWPBRLFWLUMPEB-UHFFFAOYSA-N 0 1 375.372 3.342 20 0 GGADMN Cc1cc(Br)c(C(=O)N2CCN(CC3CCOCC3)CC2)s1 ZINC000457595783 567477222 /nfs/dbraw/zinc/47/72/22/567477222.db2.gz QASQMYDACWWKSM-UHFFFAOYSA-N 0 1 387.343 3.003 20 0 GGADMN COc1c(NS(=O)(=O)c2ccccc2C)cc(Cl)cc1C(=O)N(C)C ZINC000551083511 567477156 /nfs/dbraw/zinc/47/71/56/567477156.db2.gz ZOFRRZQNNRXHFF-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC(C)(C)CC(F)(F)F)c1F ZINC000594460030 567477618 /nfs/dbraw/zinc/47/76/18/567477618.db2.gz JVXVZBIPDAZENO-UHFFFAOYSA-N 0 1 391.770 3.275 20 0 GGADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1F ZINC000594457968 567477679 /nfs/dbraw/zinc/47/76/79/567477679.db2.gz QUTXZKUBHLGJSZ-VIFPVBQESA-N 0 1 385.791 3.122 20 0 GGADMN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594461423 567477720 /nfs/dbraw/zinc/47/77/20/567477720.db2.gz BEAFFBUUPWNFKK-MRVPVSSYSA-N 0 1 391.770 3.275 20 0 GGADMN CC(C)N(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc(Br)cc1 ZINC000619731599 567477776 /nfs/dbraw/zinc/47/77/76/567477776.db2.gz SBAPLDUAHKAHMY-UHFFFAOYSA-N 0 1 393.329 3.052 20 0 GGADMN Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1Br ZINC000642376827 567477925 /nfs/dbraw/zinc/47/79/25/567477925.db2.gz QHZUJTKCGQQUBG-ZIAGYGMSSA-N 0 1 389.359 3.299 20 0 GGADMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2cnn(CC(F)F)c2)s1 ZINC000551108306 567478050 /nfs/dbraw/zinc/47/80/50/567478050.db2.gz QDVJAOIPUKBYLZ-UHFFFAOYSA-N 0 1 384.433 3.381 20 0 GGADMN Brc1cccc(C2(c3noc([C@@H]4CCCc5nn[nH]c54)n3)CC2)c1 ZINC000663160906 567478104 /nfs/dbraw/zinc/47/81/04/567478104.db2.gz NVUURMYRAYIWPP-GFCCVEGCSA-N 0 1 386.253 3.498 20 0 GGADMN CO[C@H](c1noc([C@@H]2CCCc3nn[nH]c32)n1)c1ccccc1Br ZINC000663162097 567478276 /nfs/dbraw/zinc/47/82/76/567478276.db2.gz ZRRBLTHUELURMJ-YGRLFVJLSA-N 0 1 390.241 3.154 20 0 GGADMN COc1ccc(Br)cc1-c1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663160628 567478466 /nfs/dbraw/zinc/47/84/66/567478466.db2.gz ZLYZGEVVOVTYRK-VIFPVBQESA-N 0 1 376.214 3.094 20 0 GGADMN COc1c(NS(=O)(=O)c2cccc(C)c2)cc(Cl)cc1C(=O)N(C)C ZINC000551096097 567478536 /nfs/dbraw/zinc/47/85/36/567478536.db2.gz MFPJRTJHGJMCGX-UHFFFAOYSA-N 0 1 382.869 3.160 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457615410 567478652 /nfs/dbraw/zinc/47/86/52/567478652.db2.gz ODNXGBAKODQIPK-MRXNPFEDSA-N 0 1 392.301 3.355 20 0 GGADMN Brc1ccc2c(Cc3noc([C@H]4CCc5n[nH]nc5C4)n3)c[nH]c2c1 ZINC000663157361 567478675 /nfs/dbraw/zinc/47/86/75/567478675.db2.gz JMHGITYURLYCFR-VIFPVBQESA-N 0 1 399.252 3.295 20 0 GGADMN Brc1ccc2c(Cc3noc([C@H]4CCc5[nH]nnc5C4)n3)c[nH]c2c1 ZINC000663157361 567478680 /nfs/dbraw/zinc/47/86/80/567478680.db2.gz JMHGITYURLYCFR-VIFPVBQESA-N 0 1 399.252 3.295 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)ccc1Br ZINC000642396742 567479103 /nfs/dbraw/zinc/47/91/03/567479103.db2.gz HPEFVTXNZGAROU-QGZVFWFLSA-N 0 1 397.361 3.151 20 0 GGADMN CO[C@H](c1noc([C@@H]2CCCc3nn[nH]c32)n1)c1ccc(Br)cc1 ZINC000663160116 567479104 /nfs/dbraw/zinc/47/91/04/567479104.db2.gz YBHLTSVGQCFQOY-RISCZKNCSA-N 0 1 390.241 3.154 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)NC(C)(C)c2cnn(C)c2)c(Br)c1 ZINC000570365670 567479178 /nfs/dbraw/zinc/47/91/78/567479178.db2.gz OPUVQLDLXPXCHN-LBPRGKRZSA-N 0 1 379.302 3.343 20 0 GGADMN Cc1cc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)ccc1Br ZINC000642397099 567479241 /nfs/dbraw/zinc/47/92/41/567479241.db2.gz BRLKTJRGWFFBTG-HNNXBMFYSA-N 0 1 384.318 3.236 20 0 GGADMN CO[C@H](c1noc([C@H]2CCCc3nn[nH]c32)n1)c1ccccc1Br ZINC000663162094 567479196 /nfs/dbraw/zinc/47/91/96/567479196.db2.gz ZRRBLTHUELURMJ-HZMBPMFUSA-N 0 1 390.241 3.154 20 0 GGADMN Brc1ccc2c(Cc3noc([C@H]4CCCc5nn[nH]c54)n3)c[nH]c2c1 ZINC000663157770 567479248 /nfs/dbraw/zinc/47/92/48/567479248.db2.gz LVWHUMCTNTVEOH-LBPRGKRZSA-N 0 1 399.252 3.491 20 0 GGADMN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000551109017 567479895 /nfs/dbraw/zinc/47/98/95/567479895.db2.gz JUDHLKILVCKQFK-UHFFFAOYSA-N 0 1 394.758 3.341 20 0 GGADMN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c1 ZINC000551114518 567479914 /nfs/dbraw/zinc/47/99/14/567479914.db2.gz SSHQLRFLNYRNCL-UHFFFAOYSA-N 0 1 377.857 3.240 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(Br)co2)CC1 ZINC000457647765 567480113 /nfs/dbraw/zinc/48/01/13/567480113.db2.gz AFYHCURVNWJMFD-LBPRGKRZSA-N 0 1 378.270 3.393 20 0 GGADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000642523572 567481171 /nfs/dbraw/zinc/48/11/71/567481171.db2.gz TWJFBVXZAMNYQJ-LLVKDONJSA-N 0 1 384.851 3.369 20 0 GGADMN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503373618 567481364 /nfs/dbraw/zinc/48/13/64/567481364.db2.gz XNEZYHFOMNSKTG-KSSFIOAISA-N 0 1 395.341 3.312 20 0 GGADMN COCCNC(=O)[C@H](CC(C)C)N[C@H]1CCc2sc(Br)cc21 ZINC000551138945 567481428 /nfs/dbraw/zinc/48/14/28/567481428.db2.gz NVTZIOSOPZTYIC-STQMWFEESA-N 0 1 389.359 3.265 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@H]2CCCO[C@H]2CC(C)C)sc1Br ZINC000478756692 567482223 /nfs/dbraw/zinc/48/22/23/567482223.db2.gz GYVJGIYDMNRPIF-QWRGUYRKSA-N 0 1 397.360 3.086 20 0 GGADMN Cc1cc(F)ccc1S(=O)(=O)Nc1cc(F)ccc1Sc1nc[nH]n1 ZINC000642603584 567482412 /nfs/dbraw/zinc/48/24/12/567482412.db2.gz DOEXNMHYIZEHLD-UHFFFAOYSA-N 0 1 382.417 3.343 20 0 GGADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cnc2ccsc2c1 ZINC000437210310 567482617 /nfs/dbraw/zinc/48/26/17/567482617.db2.gz CVSNCNBFJPTAPC-UHFFFAOYSA-N 0 1 375.519 3.049 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cncc(Br)c1 ZINC000570411783 567483349 /nfs/dbraw/zinc/48/33/49/567483349.db2.gz QUGVWZAWQFALNW-KBPBESRZSA-N 0 1 391.313 3.315 20 0 GGADMN CSCC[C@H](NCc1cn(-c2ccccc2Cl)nc1C)C(=O)N(C)C ZINC000594521355 567483250 /nfs/dbraw/zinc/48/32/50/567483250.db2.gz PPGSALICKSGRGX-INIZCTEOSA-N 0 1 380.945 3.134 20 0 GGADMN C[C@@H](NCc1n[nH]c([C@H]2CCCO2)n1)c1ccccc1I ZINC000594511468 567483301 /nfs/dbraw/zinc/48/33/01/567483301.db2.gz NSTBVVODOSSBNZ-ZWNOBZJWSA-N 0 1 398.248 3.112 20 0 GGADMN CC(C)[C@H](CN[C@@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C ZINC000594553278 567485018 /nfs/dbraw/zinc/48/50/18/567485018.db2.gz QLKRIIWVDJNLGZ-LSDHHAIUSA-N 0 1 399.329 3.179 20 0 GGADMN CC(C)CO[C@@H]1C[C@@H](N[C@@H](C(N)=O)c2cccc(Br)c2)C1(C)C ZINC000478826819 567485732 /nfs/dbraw/zinc/48/57/32/567485732.db2.gz QRBNLUXHFVPXMZ-BZUAXINKSA-N 0 1 383.330 3.405 20 0 GGADMN CC(C)[C@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000594553676 567485776 /nfs/dbraw/zinc/48/57/76/567485776.db2.gz UIXXPVRYTGRGBN-LSDHHAIUSA-N 0 1 399.329 3.179 20 0 GGADMN O=C(NCc1cnc[nH]1)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000478835004 567485839 /nfs/dbraw/zinc/48/58/39/567485839.db2.gz HZIVDKSYNANYAS-UHFFFAOYSA-N 0 1 399.248 3.355 20 0 GGADMN CCCN1CC[C@H](NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000619898796 567485859 /nfs/dbraw/zinc/48/58/59/567485859.db2.gz IRVILACJFJPLPG-CJNGLKHVSA-N 0 1 381.314 3.259 20 0 GGADMN Brc1ccc(-c2nnc(CN3CC[C@@H](c4cccnc4)C3)o2)o1 ZINC000570448304 567485960 /nfs/dbraw/zinc/48/59/60/567485960.db2.gz UPWCZBUKBDFUBR-GFCCVEGCSA-N 0 1 375.226 3.477 20 0 GGADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000570450785 567486023 /nfs/dbraw/zinc/48/60/23/567486023.db2.gz TWANTFRDFANGHM-ZJUUUORDSA-N 0 1 376.787 3.065 20 0 GGADMN Cc1[nH]ncc1CNC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000503441948 567486204 /nfs/dbraw/zinc/48/62/04/567486204.db2.gz PGTLNFJCZSFWPJ-UHFFFAOYSA-N 0 1 375.226 3.374 20 0 GGADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000570450784 567486678 /nfs/dbraw/zinc/48/66/78/567486678.db2.gz TWANTFRDFANGHM-VHSXEESVSA-N 0 1 376.787 3.065 20 0 GGADMN Cc1cc(I)cc(N[C@H](c2nnc[nH]2)c2cccnc2)c1 ZINC000551198213 567486763 /nfs/dbraw/zinc/48/67/63/567486763.db2.gz VUJSNRZOVVZXIC-AWEZNQCLSA-N 0 1 391.216 3.314 20 0 GGADMN FC(F)(F)[C@@H](CN[C@@H]1CCc2sc(Br)cc21)N1CCOCC1 ZINC000551198697 567487030 /nfs/dbraw/zinc/48/70/30/567487030.db2.gz PFPLSEJYPWHDPI-ZYHUDNBSSA-N 0 1 399.276 3.351 20 0 GGADMN COc1ccccc1[C@]1(C)C[C@H]1N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000478868469 567487300 /nfs/dbraw/zinc/48/73/00/567487300.db2.gz OUPUTPJRFYERKR-LMMKCTJWSA-N 0 1 389.293 3.304 20 0 GGADMN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)cc1C ZINC000594578902 567488411 /nfs/dbraw/zinc/48/84/11/567488411.db2.gz SFJZGSABESKVQR-UHFFFAOYSA-N 0 1 379.459 3.163 20 0 GGADMN COC(=O)C1CCN(Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000594597823 567488507 /nfs/dbraw/zinc/48/85/07/567488507.db2.gz VVBXTYICRGUCRE-UHFFFAOYSA-N 0 1 392.297 3.328 20 0 GGADMN CCOc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)c(C)c1 ZINC000437302830 567489520 /nfs/dbraw/zinc/48/95/20/567489520.db2.gz JAFWMMUGVMETDV-UHFFFAOYSA-N 0 1 382.551 3.208 20 0 GGADMN OC[C@H](NCc1ncccc1O)c1ccc(Br)cc1C(F)(F)F ZINC000570503921 567491005 /nfs/dbraw/zinc/49/10/05/567491005.db2.gz PGSWHCMBKQYINZ-ZDUSSCGKSA-N 0 1 391.187 3.392 20 0 GGADMN COc1cc(C)c(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1C ZINC000437320029 567491118 /nfs/dbraw/zinc/49/11/18/567491118.db2.gz GAGCSIVJXKTFIC-UHFFFAOYSA-N 0 1 382.551 3.126 20 0 GGADMN CC(C)COC[C@@H](O)CNCc1ccc(Cl)cc1I 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CC[C@H](Cc1ccc(Br)cc1)NC(=O)CN(C)[C@H]1CCSC1 ZINC000620338931 567515944 /nfs/dbraw/zinc/51/59/44/567515944.db2.gz AHVFOEWUCDBMOS-CVEARBPZSA-N 0 1 385.371 3.324 20 0 GGADMN COC(=O)c1ccc(CNCCNC(=O)CC2CCCC2)c(Br)c1 ZINC000551547743 567516044 /nfs/dbraw/zinc/51/60/44/567516044.db2.gz UZWOZDVEAGWTTD-UHFFFAOYSA-N 0 1 397.313 3.022 20 0 GGADMN Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1OC(F)(F)F)OCO2 ZINC000479229713 567516076 /nfs/dbraw/zinc/51/60/76/567516076.db2.gz BGOQSPAKVGNFIM-UHFFFAOYSA-N 0 1 375.324 3.423 20 0 GGADMN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)CN(C)[C@H]1CCSC1 ZINC000620338932 567516158 /nfs/dbraw/zinc/51/61/58/567516158.db2.gz AHVFOEWUCDBMOS-HOTGVXAUSA-N 0 1 385.371 3.324 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC(n2cc(Cl)cn2)CC1)c1ccsc1 ZINC000504003602 567517568 /nfs/dbraw/zinc/51/75/68/567517568.db2.gz FPKWRFFXXDGVJO-MRXNPFEDSA-N 0 1 381.933 3.247 20 0 GGADMN Cn1nccc1[C@@H]1CCCN(Cc2cccc(I)c2)C1 ZINC000551556169 567517913 /nfs/dbraw/zinc/51/79/13/567517913.db2.gz GTBHORFISFLWTF-CQSZACIVSA-N 0 1 381.261 3.404 20 0 GGADMN CC[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCc1cn[nH]n1 ZINC000620340600 567518059 /nfs/dbraw/zinc/51/80/59/567518059.db2.gz XZKNMUFRMMDYEL-OAHLLOKOSA-N 0 1 379.302 3.418 20 0 GGADMN Cc1noc(CN2CCCC[C@@H](NCc3cc(Cl)ccc3Cl)C2=O)n1 ZINC000643736550 567518698 /nfs/dbraw/zinc/51/86/98/567518698.db2.gz GJMDNGNRVSUJLA-OAHLLOKOSA-N 0 1 383.279 3.356 20 0 GGADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529473461 567518880 /nfs/dbraw/zinc/51/88/80/567518880.db2.gz SWTRMEUAXFDFHM-DTWKUNHWSA-N 0 1 397.298 3.198 20 0 GGADMN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000504030780 567519148 /nfs/dbraw/zinc/51/91/48/567519148.db2.gz AUEKGONCXSVKKF-UHFFFAOYSA-N 0 1 390.230 3.412 20 0 GGADMN O=S(=O)(Nc1cc(F)c(F)cc1Br)c1cn2c(n1)CCCC2 ZINC000504033716 567519552 /nfs/dbraw/zinc/51/95/52/567519552.db2.gz LAQMLZXRBLFHDJ-UHFFFAOYSA-N 0 1 392.225 3.061 20 0 GGADMN O=c1[nH]c2cccc(NS(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)c2[nH]1 ZINC000570866293 567519705 /nfs/dbraw/zinc/51/97/05/567519705.db2.gz MRXCZEGJPLMXQF-UHFFFAOYSA-N 0 1 389.767 3.324 20 0 GGADMN Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2cc(F)ccc2Cl)c1C ZINC000479265620 567519999 /nfs/dbraw/zinc/51/99/99/567519999.db2.gz JHVHJBFIBCDVDK-UHFFFAOYSA-N 0 1 391.873 3.300 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)c1 ZINC000479275039 567520019 /nfs/dbraw/zinc/52/00/19/567520019.db2.gz HILSZVRXKOWMFZ-UHFFFAOYSA-N 0 1 387.910 3.470 20 0 GGADMN COc1cc(O)cc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000504059002 567520814 /nfs/dbraw/zinc/52/08/14/567520814.db2.gz LAZGLWXWSYMSLC-UHFFFAOYSA-N 0 1 376.203 3.103 20 0 GGADMN O=S(=O)(Nc1ccc(Cl)cc1Br)c1cn2c(n1)CCCC2 ZINC000504062370 567521176 /nfs/dbraw/zinc/52/11/76/567521176.db2.gz WKAJWWBXQLLVTP-UHFFFAOYSA-N 0 1 390.690 3.436 20 0 GGADMN N=c1[nH]oc2cc(CNC(=O)[C@@H]3C[C@H]3c3csc(Br)c3)ccc12 ZINC000529500206 567521229 /nfs/dbraw/zinc/52/12/29/567521229.db2.gz COVNVRRNMVWKIA-NWDGAFQWSA-N 0 1 392.278 3.484 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)c(Cl)c1 ZINC000479288198 567521824 /nfs/dbraw/zinc/52/18/24/567521824.db2.gz UNHCAHJYFZWAFA-UHFFFAOYSA-N 0 1 387.910 3.470 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCCN(CC(=O)[O-])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000643876269 567522468 /nfs/dbraw/zinc/52/24/68/567522468.db2.gz PKJJTRJASWECNN-LKFCYVNXSA-N 0 1 377.243 3.249 20 0 GGADMN Cc1ccc(CNCC(=O)Nc2ccc(I)cc2)s1 ZINC000551587319 567522485 /nfs/dbraw/zinc/52/24/85/567522485.db2.gz DBLRRYMLENAQCY-UHFFFAOYSA-N 0 1 386.258 3.389 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCCN(CC(=O)[O-])C1=O)c1cc(F)c(Cl)cc1Cl ZINC000643876272 567523269 /nfs/dbraw/zinc/52/32/69/567523269.db2.gz PKJJTRJASWECNN-YMTOWFKASA-N 0 1 377.243 3.249 20 0 GGADMN CNC(=O)c1cccc(CN(C)CCOc2ccc(Br)cc2)c1 ZINC000504090058 567523483 /nfs/dbraw/zinc/52/34/83/567523483.db2.gz ORXAERFEEMOQEM-UHFFFAOYSA-N 0 1 377.282 3.320 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CSc1nc2cc(Br)cnc2[nH]1 ZINC000594884153 567523589 /nfs/dbraw/zinc/52/35/89/567523589.db2.gz VZENESAYERWIKK-UHFFFAOYSA-N 0 1 396.270 3.221 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cccnc2N(C)C)c(C)cc1Br ZINC000438232050 567523758 /nfs/dbraw/zinc/52/37/58/567523758.db2.gz YBKMUPHFNNCVKR-UHFFFAOYSA-N 0 1 384.299 3.328 20 0 GGADMN COC(=O)c1coc(S(=O)(=O)Nc2cc3sc(C)nc3cc2Cl)c1 ZINC000479299217 567523622 /nfs/dbraw/zinc/52/36/22/567523622.db2.gz XWGALBLEVAXFHE-UHFFFAOYSA-N 0 1 386.838 3.439 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1cc(Br)cc2cccnc21)C1CCOCC1 ZINC000570927058 567523811 /nfs/dbraw/zinc/52/38/11/567523811.db2.gz ODXINILJPREMLS-UHFFFAOYSA-N 0 1 393.281 3.453 20 0 GGADMN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000504176736 567524708 /nfs/dbraw/zinc/52/47/08/567524708.db2.gz NGWMORLACPFXNL-AWEZNQCLSA-N 0 1 381.885 3.253 20 0 GGADMN CN(Cc1ncc(Cl)cc1Br)CC(C)(C)CN1CCOCC1 ZINC000529528814 567525487 /nfs/dbraw/zinc/52/54/87/567525487.db2.gz HHTLHPNFUNYBRL-UHFFFAOYSA-N 0 1 390.753 3.288 20 0 GGADMN N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000643978716 567525629 /nfs/dbraw/zinc/52/56/29/567525629.db2.gz XIOFJHDIXCJGND-KRWDZBQOSA-N 0 1 377.257 3.043 20 0 GGADMN CCc1nc([C@@H](C)NCc2cc(Cl)ccc2I)n[nH]1 ZINC000594938787 567526550 /nfs/dbraw/zinc/52/65/50/567526550.db2.gz RTLNVPANAZEORF-MRVPVSSYSA-N 0 1 390.656 3.476 20 0 GGADMN C[C@H](CN1CCCC1=O)NCc1cc(Cl)ccc1I ZINC000594927155 567527066 /nfs/dbraw/zinc/52/70/66/567527066.db2.gz YMBJCFRXUGPLIF-SNVBAGLBSA-N 0 1 392.668 3.045 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@H](CO)c1ccccc1Cl)c1ccsc1 ZINC000479356409 567527935 /nfs/dbraw/zinc/52/79/35/567527935.db2.gz XSTCCTJMDVQLTP-WMLDXEAASA-N 0 1 381.929 3.080 20 0 GGADMN COCCO[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000529552816 567528575 /nfs/dbraw/zinc/52/85/75/567528575.db2.gz WXNYNNPELRNFCH-GFCCVEGCSA-N 0 1 386.315 3.138 20 0 GGADMN C[C@H]1[C@@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)CCCN1C ZINC000504307529 567529814 /nfs/dbraw/zinc/52/98/14/567529814.db2.gz RICZQCCZXOHKAU-BBRMVZONSA-N 0 1 381.314 3.401 20 0 GGADMN C[C@@H](N[C@@H](CO)CC(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479392464 567530353 /nfs/dbraw/zinc/53/03/53/567530353.db2.gz LSUQYAIYCYCGOZ-NXEZZACHSA-N 0 1 383.341 3.089 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)CCc1cccc(Br)c1 ZINC000644094139 567530712 /nfs/dbraw/zinc/53/07/12/567530712.db2.gz SLRNHYKIRAGOKN-MRXNPFEDSA-N 0 1 377.282 3.207 20 0 GGADMN Cc1nc(C)c(Br)c(N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000663781271 567530655 /nfs/dbraw/zinc/53/06/55/567530655.db2.gz QTJICDZPLOOVMG-UHFFFAOYSA-N 0 1 397.361 3.185 20 0 GGADMN C[S@](=O)[C@H]1CCC[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000594962258 567530842 /nfs/dbraw/zinc/53/08/42/567530842.db2.gz QRHZXNWJTOVUMQ-SINSKDIDSA-N 0 1 387.336 3.353 20 0 GGADMN COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000644091674 567530902 /nfs/dbraw/zinc/53/09/02/567530902.db2.gz ZRIGCYLSNSJKOS-DOMZBBRYSA-N 0 1 393.281 3.041 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000644094154 567530996 /nfs/dbraw/zinc/53/09/96/567530996.db2.gz SWRAOMSCMURVGC-BLLLJJGKSA-N 0 1 393.281 3.041 20 0 GGADMN CNS(=O)(=O)c1cccc2c1CCN(CCCc1ccc(Cl)cc1)C2 ZINC000551722068 567531371 /nfs/dbraw/zinc/53/13/71/567531371.db2.gz UHQSOEDKIAOEJR-UHFFFAOYSA-N 0 1 378.925 3.239 20 0 GGADMN OC[C@H](NCc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000571024978 567531481 /nfs/dbraw/zinc/53/14/81/567531481.db2.gz SZSCXACPBLHAPD-CJNGLKHVSA-N 0 1 397.338 3.450 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(I)cc2Cl)C1 ZINC000571054680 567532899 /nfs/dbraw/zinc/53/28/99/567532899.db2.gz MZPLPADEJHLHBO-ZDUSSCGKSA-N 0 1 379.625 3.241 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)CCc1cc(Br)cs1 ZINC000644091615 567531636 /nfs/dbraw/zinc/53/16/36/567531636.db2.gz YTHMXWPYKQIBPA-CQSZACIVSA-N 0 1 383.311 3.268 20 0 GGADMN C[C@@H](C[C@@H]1CCCO1)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458211977 567531878 /nfs/dbraw/zinc/53/18/78/567531878.db2.gz BEATZGXXLHBOKY-QWRGUYRKSA-N 0 1 381.274 3.082 20 0 GGADMN COc1ccccc1[C@H](N)CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000644092613 567531817 /nfs/dbraw/zinc/53/18/17/567531817.db2.gz QGHCIULJLHUYLU-MRXNPFEDSA-N 0 1 389.293 3.306 20 0 GGADMN CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479400302 567531994 /nfs/dbraw/zinc/53/19/94/567531994.db2.gz XXEGZDXBBNCZGH-ZUZCIYMTSA-N 0 1 397.368 3.335 20 0 GGADMN CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479400301 567532126 /nfs/dbraw/zinc/53/21/26/567532126.db2.gz XXEGZDXBBNCZGH-MEBBXXQBSA-N 0 1 397.368 3.335 20 0 GGADMN O=c1cc(CN[C@@H](c2cncc(Br)c2)C2CC2)nc2ccccn12 ZINC000551748998 567532572 /nfs/dbraw/zinc/53/25/72/567532572.db2.gz FIIIPMWONYYTMK-GOSISDBHSA-N 0 1 385.265 3.093 20 0 GGADMN C[C@@H]1C[C@H](C)CN(C(=O)CN[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000551749682 567532691 /nfs/dbraw/zinc/53/26/91/567532691.db2.gz LQKKEDNKZINLMU-JCGVRSQUSA-N 0 1 380.330 3.389 20 0 GGADMN C[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(I)cc2Cl)C1 ZINC000571054680 567532896 /nfs/dbraw/zinc/53/28/96/567532896.db2.gz MZPLPADEJHLHBO-ZDUSSCGKSA-N 0 1 379.625 3.241 20 0 GGADMN COc1ccc(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)cc1Cl ZINC000458235874 567533255 /nfs/dbraw/zinc/53/32/55/567533255.db2.gz ZSUHYEKKVVBZMB-UHFFFAOYSA-N 0 1 380.897 3.183 20 0 GGADMN CC1(C)CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC[C@H]1O ZINC000438477972 567533338 /nfs/dbraw/zinc/53/33/38/567533338.db2.gz KRSUFKQMFSGINY-GFCCVEGCSA-N 0 1 378.270 3.072 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479410288 567533374 /nfs/dbraw/zinc/53/33/74/567533374.db2.gz RJPPAWBYJLBYQC-ZUZCIYMTSA-N 0 1 378.307 3.452 20 0 GGADMN CC(C)[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1F ZINC000479404342 567533441 /nfs/dbraw/zinc/53/34/41/567533441.db2.gz CSYUKLNQUOOZRI-DYVFJYSZSA-N 0 1 389.489 3.148 20 0 GGADMN OCC1([C@@H](NCc2ncc(Cl)cc2Br)C2CC2)CCOCC1 ZINC000529589223 567533661 /nfs/dbraw/zinc/53/36/61/567533661.db2.gz YNJYGCXPBUCXBE-HNNXBMFYSA-N 0 1 389.721 3.155 20 0 GGADMN CN(C)CCN(Cc1ccsc1)C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000458227445 567533835 /nfs/dbraw/zinc/53/38/35/567533835.db2.gz RNKMOMIXQCTVQA-UHFFFAOYSA-N 0 1 379.913 3.350 20 0 GGADMN Ic1cnc(CNC[C@@H]2CCN2Cc2ccccc2)s1 ZINC000594998012 567534042 /nfs/dbraw/zinc/53/40/42/567534042.db2.gz DVBFXLRHICPBBS-ZDUSSCGKSA-N 0 1 399.301 3.112 20 0 GGADMN Ic1cnc(CNC[C@H]2CCN2Cc2ccccc2)s1 ZINC000594998011 567534152 /nfs/dbraw/zinc/53/41/52/567534152.db2.gz DVBFXLRHICPBBS-CYBMUJFWSA-N 0 1 399.301 3.112 20 0 GGADMN C[C@H](c1ccccc1)[C@@H](O)CNCc1ncc(I)s1 ZINC000595001661 567534241 /nfs/dbraw/zinc/53/42/41/567534241.db2.gz UZNVOMSEUQPXPQ-PWSUYJOCSA-N 0 1 388.274 3.002 20 0 GGADMN C[C@H](c1ccccc1)[C@H](O)CNCc1ncc(I)s1 ZINC000595001662 567534333 /nfs/dbraw/zinc/53/43/33/567534333.db2.gz UZNVOMSEUQPXPQ-ZYHUDNBSSA-N 0 1 388.274 3.002 20 0 GGADMN COc1ccc([C@@H](C)NC(=O)CN(C)[C@@H]2CCSC2)cc1Br ZINC000479416522 567534784 /nfs/dbraw/zinc/53/47/84/567534784.db2.gz FMUJMGQLQMVTMA-DGCLKSJQSA-N 0 1 387.343 3.072 20 0 GGADMN C[C@@H](c1ccccc1)[C@H](O)CNCc1ncc(I)s1 ZINC000595001659 567534765 /nfs/dbraw/zinc/53/47/65/567534765.db2.gz 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CC(C)[C@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000458607081 567557810 /nfs/dbraw/zinc/55/78/10/567557810.db2.gz JIQFJGZXEPRAJZ-SMDDNHRTSA-N 0 1 395.301 3.328 20 0 GGADMN Cn1c(CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000644544434 567558453 /nfs/dbraw/zinc/55/84/53/567558453.db2.gz CYQPGUGVHFKWIG-LBPRGKRZSA-N 0 1 380.275 3.410 20 0 GGADMN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000479809125 567559905 /nfs/dbraw/zinc/55/99/05/567559905.db2.gz YTHCDOYMNJMAIK-LBPRGKRZSA-N 0 1 382.291 3.269 20 0 GGADMN C[C@@H]1CC[C@H](N(CCO)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000438994735 567560005 /nfs/dbraw/zinc/56/00/05/567560005.db2.gz CJHYPLYQMHFDNG-PWSUYJOCSA-N 0 1 391.256 3.149 20 0 GGADMN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CC[C@H](CN2CCOCC2)C1 ZINC000479809124 567560159 /nfs/dbraw/zinc/56/01/59/567560159.db2.gz YTHCDOYMNJMAIK-GFCCVEGCSA-N 0 1 382.291 3.269 20 0 GGADMN CNC(=O)CCCN(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000571414280 567560231 /nfs/dbraw/zinc/56/02/31/567560231.db2.gz KOALEJCKVOQHNZ-INIZCTEOSA-N 0 1 383.330 3.265 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000479803299 567560504 /nfs/dbraw/zinc/56/05/04/567560504.db2.gz FWSWCWHPMKIWRK-YPMHNXCESA-N 0 1 384.307 3.392 20 0 GGADMN CC[C@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CCN1C[C@@H](C)O ZINC000479803299 567560508 /nfs/dbraw/zinc/56/05/08/567560508.db2.gz FWSWCWHPMKIWRK-YPMHNXCESA-N 0 1 384.307 3.392 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cscc3Br)[nH]c21 ZINC000552114411 567560925 /nfs/dbraw/zinc/56/09/25/567560925.db2.gz JAVVSUXCPYZGFA-UHFFFAOYSA-N 0 1 380.223 3.426 20 0 GGADMN CS[C@H]1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000458648235 567561125 /nfs/dbraw/zinc/56/11/25/567561125.db2.gz OOKLSSNYYAGRFX-LSDHHAIUSA-N 0 1 375.460 3.455 20 0 GGADMN CCc1nc(CNC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)n[nH]1 ZINC000458658860 567561147 /nfs/dbraw/zinc/56/11/47/567561147.db2.gz GCCVNCOLHCOBCE-GFCCVEGCSA-N 0 1 384.253 3.219 20 0 GGADMN C[C@@H](c1ncc(Br)cn1)N1CCN(CCc2ccccc2)CC1 ZINC000439016198 567561403 /nfs/dbraw/zinc/56/14/03/567561403.db2.gz WYRONSSFNDQGJU-HNNXBMFYSA-N 0 1 375.314 3.160 20 0 GGADMN COc1cc(C)c(Br)cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000552137423 567562026 /nfs/dbraw/zinc/56/20/26/567562026.db2.gz SUXFPZWWUOMJHM-JTQLQIEISA-N 0 1 381.274 3.499 20 0 GGADMN O[C@H](CN[C@H]1COc2ccc(F)cc21)COc1ccc(Br)cc1 ZINC000571433487 567562293 /nfs/dbraw/zinc/56/22/93/567562293.db2.gz GVALUUDVVZUFHA-CJNGLKHVSA-N 0 1 382.229 3.051 20 0 GGADMN Cc1ccc(Br)cc1CNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000439049797 567562962 /nfs/dbraw/zinc/56/29/62/567562962.db2.gz JESVEKHNXGCRQX-GASCZTMLSA-N 0 1 398.345 3.056 20 0 GGADMN O[C@@H](CNCc1ccc(F)cn1)COc1ccc(Cl)cc1Br ZINC000644600730 567563102 /nfs/dbraw/zinc/56/31/02/567563102.db2.gz ZEPNMDLJODXZBT-ZDUSSCGKSA-N 0 1 389.652 3.166 20 0 GGADMN COC1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCCCC1 ZINC000458669758 567563264 /nfs/dbraw/zinc/56/32/64/567563264.db2.gz KWCOVYYEDWBQHC-UHFFFAOYSA-N 0 1 395.301 3.474 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)cc1 ZINC000571453665 567563810 /nfs/dbraw/zinc/56/38/10/567563810.db2.gz XWMYXQFPRAKEEE-JKSUJKDBSA-N 0 1 376.503 3.215 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)cs2)cc1 ZINC000571453665 567563816 /nfs/dbraw/zinc/56/38/16/567563816.db2.gz XWMYXQFPRAKEEE-JKSUJKDBSA-N 0 1 376.503 3.215 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000571453664 567563965 /nfs/dbraw/zinc/56/39/65/567563965.db2.gz XWMYXQFPRAKEEE-HZPDHXFCSA-N 0 1 376.503 3.215 20 0 GGADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000571453664 567563970 /nfs/dbraw/zinc/56/39/70/567563970.db2.gz XWMYXQFPRAKEEE-HZPDHXFCSA-N 0 1 376.503 3.215 20 0 GGADMN C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000505167279 567564366 /nfs/dbraw/zinc/56/43/66/567564366.db2.gz HRTYSOLYAFAYNI-HNNXBMFYSA-N 0 1 395.341 3.123 20 0 GGADMN Cc1cn2cc(C(=O)NCC3(N4CCSCC4)CCCCC3)sc2n1 ZINC000505226083 567565491 /nfs/dbraw/zinc/56/54/91/567565491.db2.gz URDSYQOWLHHKKG-UHFFFAOYSA-N 0 1 378.567 3.186 20 0 GGADMN CCOC[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)C(C)C ZINC000458693038 567566093 /nfs/dbraw/zinc/56/60/93/567566093.db2.gz NGCHPFJBYSDQMB-ZDUSSCGKSA-N 0 1 383.290 3.186 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)CCCc2ccccc2Br)C1 ZINC000479883578 567566340 /nfs/dbraw/zinc/56/63/40/567566340.db2.gz HLZSXPKOPXAZNT-KRWDZBQOSA-N 0 1 397.357 3.245 20 0 GGADMN Cn1nc(CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000644622727 567566438 /nfs/dbraw/zinc/56/64/38/567566438.db2.gz KYLQMSPVPFISAH-GFCCVEGCSA-N 0 1 380.275 3.410 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000595477712 567566664 /nfs/dbraw/zinc/56/66/64/567566664.db2.gz TVZBJMUFNNXJQZ-HNNXBMFYSA-N 0 1 393.285 3.389 20 0 GGADMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1sccc1Cl ZINC000505302189 567568244 /nfs/dbraw/zinc/56/82/44/567568244.db2.gz ROUNTFLAXJWVIW-UHFFFAOYSA-N 0 1 377.941 3.339 20 0 GGADMN CC1(C)CN(C2(CNC(=O)c3cc(Br)c[nH]3)CCCCC2)CCO1 ZINC000595508249 567568740 /nfs/dbraw/zinc/56/87/40/567568740.db2.gz FJNRYOWACVBWFS-UHFFFAOYSA-N 0 1 398.345 3.321 20 0 GGADMN N[C@H](Cc1ccccc1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000571515114 567569151 /nfs/dbraw/zinc/56/91/51/567569151.db2.gz RXSUDDYLGLOFAF-QGZVFWFLSA-N 0 1 377.257 3.043 20 0 GGADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cn2ccc(Br)cc2n1 ZINC000552223833 567569388 /nfs/dbraw/zinc/56/93/88/567569388.db2.gz SZSDCSLPBBEWJD-UHFFFAOYSA-N 0 1 390.285 3.390 20 0 GGADMN CCOC(=O)c1c(C)[nH]nc1CN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000595516791 567569363 /nfs/dbraw/zinc/56/93/63/567569363.db2.gz BCXMTGVGDQJLQR-QGZVFWFLSA-N 0 1 386.279 3.199 20 0 GGADMN C[C@H]1CC(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000458739564 567569834 /nfs/dbraw/zinc/56/98/34/567569834.db2.gz RIOIFJKJFLTLAN-QWRGUYRKSA-N 0 1 395.301 3.328 20 0 GGADMN CN(C(=O)N[C@H]1CCCc2cn[nH]c21)[C@H](CO)c1cccc(Cl)c1Cl ZINC000664469639 567570366 /nfs/dbraw/zinc/57/03/66/567570366.db2.gz IHZWDRRFKGSLRG-UONOGXRCSA-N 0 1 383.279 3.469 20 0 GGADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000439197646 567570513 /nfs/dbraw/zinc/57/05/13/567570513.db2.gz KABBXKPNYVURNQ-OAHLLOKOSA-N 0 1 397.287 3.374 20 0 GGADMN CN(C(=O)N[C@@H]1CCCc2cn[nH]c21)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664469638 567570577 /nfs/dbraw/zinc/57/05/77/567570577.db2.gz IHZWDRRFKGSLRG-KGLIPLIRSA-N 0 1 383.279 3.469 20 0 GGADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000439193344 567570761 /nfs/dbraw/zinc/57/07/61/567570761.db2.gz RKANCEZEMONOPH-CQSZACIVSA-N 0 1 397.287 3.374 20 0 GGADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000439191604 567570886 /nfs/dbraw/zinc/57/08/86/567570886.db2.gz RGSPEJGJICTTPW-CYBMUJFWSA-N 0 1 397.287 3.374 20 0 GGADMN Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000505358366 567571149 /nfs/dbraw/zinc/57/11/49/567571149.db2.gz WCDVHTPYNOKRCU-MRVPVSSYSA-N 0 1 376.214 3.022 20 0 GGADMN COc1cc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Br)cn1 ZINC000621271354 567571218 /nfs/dbraw/zinc/57/12/18/567571218.db2.gz FKPDQHXZIOZSMS-LBPRGKRZSA-N 0 1 392.301 3.228 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000505358909 567571348 /nfs/dbraw/zinc/57/13/48/567571348.db2.gz FHABUCSFEIBQRU-KRWDZBQOSA-N 0 1 395.345 3.278 20 0 GGADMN CC[C@H]1CN(CC)CCN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000458750580 567571336 /nfs/dbraw/zinc/57/13/36/567571336.db2.gz DNQBSYUKQCTIJI-DLBZAZTESA-N 0 1 395.345 3.421 20 0 GGADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000439218688 567571862 /nfs/dbraw/zinc/57/18/62/567571862.db2.gz WRBJBIPTSXFYSW-NSHDSACASA-N 0 1 382.860 3.046 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)c1 ZINC000439206983 567572083 /nfs/dbraw/zinc/57/20/83/567572083.db2.gz RVWMMBREXSRBAQ-OAHLLOKOSA-N 0 1 376.869 3.029 20 0 GGADMN Cc1cccc(S(=O)(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)c1Cl ZINC000439201697 567572288 /nfs/dbraw/zinc/57/22/88/567572288.db2.gz TZIMHGDEDPMDRL-AWEZNQCLSA-N 0 1 376.869 3.029 20 0 GGADMN O=S(=O)(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000439206504 567572479 /nfs/dbraw/zinc/57/24/79/567572479.db2.gz ZDVSVOFGUVCFRR-HNNXBMFYSA-N 0 1 397.287 3.374 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCN1C ZINC000505388361 567572705 /nfs/dbraw/zinc/57/27/05/567572705.db2.gz QHLVQLWVDMXDTQ-DLBZAZTESA-N 0 1 395.345 3.277 20 0 GGADMN CC[C@H](C)N1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000458761963 567572858 /nfs/dbraw/zinc/57/28/58/567572858.db2.gz MIJNUAMKPBTCKZ-SUMWQHHRSA-N 0 1 395.345 3.421 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)c2c(O)cnc3c(Br)cccc32)n[nH]1 ZINC000571575339 567573344 /nfs/dbraw/zinc/57/33/44/567573344.db2.gz BKHFOPGVJNYJQR-SECBINFHSA-N 0 1 389.253 3.095 20 0 GGADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439221919 567573491 /nfs/dbraw/zinc/57/34/91/567573491.db2.gz IMFBKTJJQWGLTN-LBPRGKRZSA-N 0 1 393.322 3.131 20 0 GGADMN Cc1cccc2nc(N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)sc21 ZINC000479978034 567573555 /nfs/dbraw/zinc/57/35/55/567573555.db2.gz FDFBOEGAOQLUGX-CYBMUJFWSA-N 0 1 375.519 3.450 20 0 GGADMN CCOc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000552296902 567575011 /nfs/dbraw/zinc/57/50/11/567575011.db2.gz UVIILMWGGLJJOZ-DZGCQCFKSA-N 0 1 386.945 3.346 20 0 GGADMN COC(=O)c1cnoc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000505432084 567575629 /nfs/dbraw/zinc/57/56/29/567575629.db2.gz DTQXSYWKYDDECE-UHFFFAOYSA-N 0 1 395.238 3.301 20 0 GGADMN CCc1cc(C(=O)N(CCNC(C)=O)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000505421799 567575829 /nfs/dbraw/zinc/57/58/29/567575829.db2.gz RXXGHFPPLMGQCP-UHFFFAOYSA-N 0 1 383.279 3.057 20 0 GGADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)N1CCCC[C@@H]1C ZINC000439254185 567575814 /nfs/dbraw/zinc/57/58/14/567575814.db2.gz UREKJJYFEKSTAX-NWDGAFQWSA-N 0 1 393.322 3.129 20 0 GGADMN O=c1[n-]nc([C@H]2CCC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)o1 ZINC000571612851 567576517 /nfs/dbraw/zinc/57/65/17/567576517.db2.gz KZWLJOKLBYNFKX-VIFPVBQESA-N 0 1 379.214 3.059 20 0 GGADMN O=c1[n-]nc([C@H]2CCC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)o1 ZINC000571612851 567576523 /nfs/dbraw/zinc/57/65/23/567576523.db2.gz KZWLJOKLBYNFKX-VIFPVBQESA-N 0 1 379.214 3.059 20 0 GGADMN CO[C@](C)(CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000571610742 567576713 /nfs/dbraw/zinc/57/67/13/567576713.db2.gz JTNZLPXJTWIBNT-GDBMZVCRSA-N 0 1 388.327 3.072 20 0 GGADMN C[C@H](CN(C)Cc1ccccc1S(N)(=O)=O)c1cccc(Br)c1 ZINC000552313056 567576635 /nfs/dbraw/zinc/57/66/35/567576635.db2.gz JCFLQZJCVIVRCS-CYBMUJFWSA-N 0 1 397.338 3.332 20 0 GGADMN C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)N1CCCC[C@@H]1C ZINC000439254186 567576883 /nfs/dbraw/zinc/57/68/83/567576883.db2.gz UREKJJYFEKSTAX-RYUDHWBXSA-N 0 1 393.322 3.129 20 0 GGADMN CO[C@](C)(CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CC1 ZINC000571610743 567576950 /nfs/dbraw/zinc/57/69/50/567576950.db2.gz JTNZLPXJTWIBNT-GOEBONIOSA-N 0 1 388.327 3.072 20 0 GGADMN O=C(NCCN1CCCOCC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000458833752 567577031 /nfs/dbraw/zinc/57/70/31/567577031.db2.gz BHMKKMCBVOIJGT-UHFFFAOYSA-N 0 1 386.323 3.390 20 0 GGADMN CCn1cc(S(=O)(=O)N[C@H](CCc2ccccc2)C(F)(F)F)nc1C ZINC000480044669 567577426 /nfs/dbraw/zinc/57/74/26/567577426.db2.gz JNDJXSJCMLVUGP-CQSZACIVSA-N 0 1 375.416 3.053 20 0 GGADMN C[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ncc(Br)cc1F ZINC000552324845 567577603 /nfs/dbraw/zinc/57/76/03/567577603.db2.gz LFMPSKSOYTUVFR-OCCSQVGLSA-N 0 1 399.308 3.314 20 0 GGADMN Cc1ccc2[nH]c(CNC[C@@H](O)COc3ccc(Br)cc3)nc2c1 ZINC000571634436 567577734 /nfs/dbraw/zinc/57/77/34/567577734.db2.gz RSTJJCPZEZITDK-CQSZACIVSA-N 0 1 390.281 3.163 20 0 GGADMN Cc1ccc2nc(CNC[C@@H](O)COc3ccc(Br)cc3)[nH]c2c1 ZINC000571634436 567577740 /nfs/dbraw/zinc/57/77/40/567577740.db2.gz RSTJJCPZEZITDK-CQSZACIVSA-N 0 1 390.281 3.163 20 0 GGADMN O=C(CNC[C@H]1CCCO1)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000571639279 567577792 /nfs/dbraw/zinc/57/77/92/567577792.db2.gz MKTWZXUTIJRIJH-GFCCVEGCSA-N 0 1 396.310 3.280 20 0 GGADMN Brc1ccccc1C1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000439257057 567577887 /nfs/dbraw/zinc/57/78/87/567577887.db2.gz JCYYTZRZBPFLRF-CALCHBBNSA-N 0 1 379.342 3.492 20 0 GGADMN CC(C)N(Cc1cccc(Br)c1)C(=O)NCCN1CCCOCC1 ZINC000458855397 567578073 /nfs/dbraw/zinc/57/80/73/567578073.db2.gz ZZAFJWJVSIJVND-UHFFFAOYSA-N 0 1 398.345 3.091 20 0 GGADMN Cc1cc(C(C)(C)NC(=O)NCCN2CCCOCC2)ccc1Br ZINC000458851095 567578114 /nfs/dbraw/zinc/57/81/14/567578114.db2.gz UZBSERPIZBOBRR-UHFFFAOYSA-N 0 1 398.345 3.014 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(F)c(Br)c2)n[nH]1 ZINC000458845297 567578135 /nfs/dbraw/zinc/57/81/35/567578135.db2.gz IYWVDCZDEIVXSO-BDAKNGLRSA-N 0 1 384.253 3.390 20 0 GGADMN O=C(N1CCC(c2nc[nH]n2)CC1)C1(Cc2ccccc2Br)CC1 ZINC000644799727 567578749 /nfs/dbraw/zinc/57/87/49/567578749.db2.gz ALUWASPUWKKZAO-UHFFFAOYSA-N 0 1 389.297 3.296 20 0 GGADMN Brc1cccc2sc(=NCc3n[nH]c([C@@H]4CCCO4)n3)[nH]c21 ZINC000621333423 567579354 /nfs/dbraw/zinc/57/93/54/567579354.db2.gz BYMRLNJSOORLNN-VIFPVBQESA-N 0 1 380.271 3.062 20 0 GGADMN Cc1cc(NC(=O)CCN2CCC(c3ccccc3Br)CC2)no1 ZINC000439280627 567579475 /nfs/dbraw/zinc/57/94/75/567579475.db2.gz SKODHZJSTUVCJB-UHFFFAOYSA-N 0 1 392.297 3.376 20 0 GGADMN CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C2CC2)CC1 ZINC000571650949 567579590 /nfs/dbraw/zinc/57/95/90/567579590.db2.gz WCLNMOJUUOMOPS-UHFFFAOYSA-N 0 1 376.302 3.184 20 0 GGADMN COc1cc([C@@H](C)NCCNC(=O)c2ccc(Br)cc2)c(F)cn1 ZINC000571668376 567579874 /nfs/dbraw/zinc/57/98/74/567579874.db2.gz MXNVGCYOGDORIA-LLVKDONJSA-N 0 1 396.260 3.072 20 0 GGADMN CCc1nc(CNC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)n[nH]1 ZINC000458869425 567580628 /nfs/dbraw/zinc/58/06/28/567580628.db2.gz HDHOPFDTJRZPEB-ZDUSSCGKSA-N 0 1 396.264 3.315 20 0 GGADMN COCCN1CC[C@H](NC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)C1 ZINC000480084577 567580573 /nfs/dbraw/zinc/58/05/73/567580573.db2.gz MNYPCNUMUTUTLQ-HNNXBMFYSA-N 0 1 389.323 3.235 20 0 GGADMN Cc1cc(CC(C)(C)C(=O)N2CC[C@@H](c3nc[nH]n3)C2)ccc1Br ZINC000644829681 567580857 /nfs/dbraw/zinc/58/08/57/567580857.db2.gz RGKNDXHMDZIZGM-CQSZACIVSA-N 0 1 391.313 3.460 20 0 GGADMN O=C(CCOc1ccc(Cl)cc1Br)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000644828154 567580866 /nfs/dbraw/zinc/58/08/66/567580866.db2.gz IAAACCATVPNWIG-SNVBAGLBSA-N 0 1 399.676 3.006 20 0 GGADMN C[C@H](CC(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccc(F)c(Br)c1 ZINC000644829531 567581118 /nfs/dbraw/zinc/58/11/18/567581118.db2.gz CKWYRAKAQVSOGP-ZYHUDNBSSA-N 0 1 381.249 3.216 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439346286 567581603 /nfs/dbraw/zinc/58/16/03/567581603.db2.gz UIWXUMZMMAZDOX-CYBMUJFWSA-N 0 1 396.329 3.064 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCN(C)CC[C@H]1C ZINC000439346286 567581610 /nfs/dbraw/zinc/58/16/10/567581610.db2.gz UIWXUMZMMAZDOX-CYBMUJFWSA-N 0 1 396.329 3.064 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000439343938 567582000 /nfs/dbraw/zinc/58/20/00/567582000.db2.gz FFAHFZYBGICZSL-ZDUSSCGKSA-N 0 1 383.945 3.332 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C)CC[C@@H]1C ZINC000439343938 567582005 /nfs/dbraw/zinc/58/20/05/567582005.db2.gz FFAHFZYBGICZSL-ZDUSSCGKSA-N 0 1 383.945 3.332 20 0 GGADMN C[C@@H](O)[C@H]1CCCN1Cc1coc(-c2ccc(I)cc2)n1 ZINC000595766533 567582234 /nfs/dbraw/zinc/58/22/34/567582234.db2.gz OTCYOYGMFNHBEA-IAQYHMDHSA-N 0 1 398.244 3.291 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000439346287 567582557 /nfs/dbraw/zinc/58/25/57/567582557.db2.gz UIWXUMZMMAZDOX-ZDUSSCGKSA-N 0 1 396.329 3.064 20 0 GGADMN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCN(C)CC[C@@H]1C ZINC000439346287 567582560 /nfs/dbraw/zinc/58/25/60/567582560.db2.gz UIWXUMZMMAZDOX-ZDUSSCGKSA-N 0 1 396.329 3.064 20 0 GGADMN CCOCCOCCCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000621413463 567582794 /nfs/dbraw/zinc/58/27/94/567582794.db2.gz LLDRDENSHQDHEN-UHFFFAOYSA-N 0 1 397.273 3.006 20 0 GGADMN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C)CC[C@H]1C ZINC000439358452 567583707 /nfs/dbraw/zinc/58/37/07/567583707.db2.gz YECUPAODADVKJN-CYBMUJFWSA-N 0 1 383.945 3.332 20 0 GGADMN CCc1nc(CNC(=O)NC(C)(C)c2ccc(Br)c(C)c2)n[nH]1 ZINC000458880658 567583600 /nfs/dbraw/zinc/58/36/00/567583600.db2.gz XTSPHQJVCLMHOD-UHFFFAOYSA-N 0 1 380.290 3.173 20 0 GGADMN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480170312 567584280 /nfs/dbraw/zinc/58/42/80/567584280.db2.gz NXKQXCBECSBIBG-QLFBSQMISA-N 0 1 388.327 3.215 20 0 GGADMN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480170315 567584497 /nfs/dbraw/zinc/58/44/97/567584497.db2.gz NXKQXCBECSBIBG-SOUVJXGZSA-N 0 1 388.327 3.215 20 0 GGADMN Fc1cc(Br)ccc1[C@H](NC[C@@H]1COCCN1)c1ccccc1 ZINC000530223925 567584683 /nfs/dbraw/zinc/58/46/83/567584683.db2.gz JBIDKUDRTVDNLQ-CRAIPNDOSA-N 0 1 379.273 3.256 20 0 GGADMN CC(C)(C)C[C@@H](CO)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480163795 567584770 /nfs/dbraw/zinc/58/47/70/567584770.db2.gz WMWLCDGLWLQBEL-JSGCOSHPSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1cnc([C@@H](C)NC[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000439426743 567584937 /nfs/dbraw/zinc/58/49/37/567584937.db2.gz BVUJKNBJFRDAAB-ZWNOBZJWSA-N 0 1 389.290 3.444 20 0 GGADMN CC(C)(C)C[C@H](CO)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480163799 567584915 /nfs/dbraw/zinc/58/49/15/567584915.db2.gz WMWLCDGLWLQBEL-TZMCWYRMSA-N 0 1 390.343 3.054 20 0 GGADMN Cc1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1N1CN=NC1=O ZINC000571728306 567585227 /nfs/dbraw/zinc/58/52/27/567585227.db2.gz JNHMWLSQDRBSDW-UHFFFAOYSA-N 0 1 399.259 3.389 20 0 GGADMN Cc1nc(CN2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)cs1 ZINC000505582672 567585319 /nfs/dbraw/zinc/58/53/19/567585319.db2.gz UQSOOCNOEUKFFF-UHFFFAOYSA-N 0 1 378.929 3.251 20 0 GGADMN O[C@@H](COc1cc(F)cc(Br)c1)CN(Cc1cccnc1)C1CC1 ZINC000439426846 567585833 /nfs/dbraw/zinc/58/58/33/567585833.db2.gz CLWNKAXJRJOQHK-QGZVFWFLSA-N 0 1 395.272 3.388 20 0 GGADMN Fc1ccccc1[C@H](NC[C@H]1COCCN1)c1ccc(Br)cc1 ZINC000530227988 567585887 /nfs/dbraw/zinc/58/58/87/567585887.db2.gz WUIOPMIOOXYGGN-MAUKXSAKSA-N 0 1 379.273 3.256 20 0 GGADMN Cc1nc(CNC(=O)N2CCC(c3cnc[nH]3)CC2)sc1Br ZINC000458917594 567585962 /nfs/dbraw/zinc/58/59/62/567585962.db2.gz CFVMFHLGQZZPJP-UHFFFAOYSA-N 0 1 384.303 3.026 20 0 GGADMN CC[C@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000480179388 567586152 /nfs/dbraw/zinc/58/61/52/567586152.db2.gz KZHJJILWJIACSL-KKUMJFAQSA-N 0 1 388.327 3.215 20 0 GGADMN COc1cc2nccc(N[C@@H](C)CO[C@@H]3CCOC3)c2cc1Br ZINC000644872117 567586287 /nfs/dbraw/zinc/58/62/87/567586287.db2.gz KAWYRSCLCDBDMT-NWDGAFQWSA-N 0 1 381.270 3.034 20 0 GGADMN COc1cc2nccc(N[C@H](C)CO[C@H]3CCOC3)c2cc1Br ZINC000644872116 567586396 /nfs/dbraw/zinc/58/63/96/567586396.db2.gz KAWYRSCLCDBDMT-NEPJUHHUSA-N 0 1 381.270 3.034 20 0 GGADMN COc1cc2nccc(N[C@H](C)CO[C@@H]3CCOC3)c2cc1Br ZINC000644872119 567586750 /nfs/dbraw/zinc/58/67/50/567586750.db2.gz KAWYRSCLCDBDMT-VXGBXAGGSA-N 0 1 381.270 3.034 20 0 GGADMN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000480204195 567586895 /nfs/dbraw/zinc/58/68/95/567586895.db2.gz RWOAVGZKPXANAS-UHFFFAOYSA-N 0 1 389.260 3.210 20 0 GGADMN COc1cc2nccc(N3CCO[C@@H]([C@@H]4CCCO4)C3)c2cc1Br ZINC000644872182 567586885 /nfs/dbraw/zinc/58/68/85/567586885.db2.gz ZJJLOOFYMOMYGE-FUHWJXTLSA-N 0 1 393.281 3.390 20 0 GGADMN O=S1(=O)CC[C@H](NC[C@H]2CCCS2)c2cc(Br)ccc21 ZINC000480193919 567587534 /nfs/dbraw/zinc/58/75/34/567587534.db2.gz HUCFWBZBCSXUBT-YPMHNXCESA-N 0 1 376.341 3.153 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cc(F)c(Br)c(Cl)c2)n[nH]1 ZINC000552403374 567587574 /nfs/dbraw/zinc/58/75/74/567587574.db2.gz FRTDIAHWICZDQI-ZCFIWIBFSA-N 0 1 375.629 3.413 20 0 GGADMN COCC[C@@H](NC(=O)[C@H](C)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000552395293 567587675 /nfs/dbraw/zinc/58/76/75/567587675.db2.gz DLBJEULKRKURMA-CXAGYDPISA-N 0 1 389.323 3.156 20 0 GGADMN CCOC(=O)CC1(NCc2nc3ccc(Br)cc3o2)CCOCC1 ZINC000595877606 567588152 /nfs/dbraw/zinc/58/81/52/567588152.db2.gz QKEHKDYLOKRHHO-UHFFFAOYSA-N 0 1 397.269 3.182 20 0 GGADMN O=C(c1cc2c(cccc2Br)[nH]1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000644883811 567588437 /nfs/dbraw/zinc/58/84/37/567588437.db2.gz DJMPRWYBLNBJEV-VIFPVBQESA-N 0 1 391.225 3.039 20 0 GGADMN CC[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000571793272 567589268 /nfs/dbraw/zinc/58/92/68/567589268.db2.gz WOMIILQBASDNGF-HHXXYDBFSA-N 0 1 377.326 3.206 20 0 GGADMN O=C(c1cccc2[nH]cnc21)N1CCN(c2cccc(Br)c2)CC1 ZINC000552440063 567590126 /nfs/dbraw/zinc/59/01/26/567590126.db2.gz LNPYFGZAZNQVOT-UHFFFAOYSA-N 0 1 385.265 3.288 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(F)c1 ZINC000480231833 567590471 /nfs/dbraw/zinc/59/04/71/567590471.db2.gz RTFRTTBVEKGEGY-UHFFFAOYSA-N 0 1 381.816 3.474 20 0 GGADMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1C ZINC000480254136 567591606 /nfs/dbraw/zinc/59/16/06/567591606.db2.gz WTHRRRUVLBEUDK-SNVBAGLBSA-N 0 1 385.873 3.403 20 0 GGADMN COc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1NC(C)=O ZINC000439566591 567593004 /nfs/dbraw/zinc/59/30/04/567593004.db2.gz VCUXLBLAQZACDQ-UHFFFAOYSA-N 0 1 377.447 3.064 20 0 GGADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439566179 567593238 /nfs/dbraw/zinc/59/32/38/567593238.db2.gz FEKFZPUVXJYYAH-UHFFFAOYSA-N 0 1 376.463 3.239 20 0 GGADMN COCC[C@@H](NC(=O)NCCCc1nc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000664849584 567593855 /nfs/dbraw/zinc/59/38/55/567593855.db2.gz CIQGAXSHORWBGI-CQSZACIVSA-N 0 1 386.283 3.121 20 0 GGADMN C[C@H](NCc1c[nH]c2nccnc12)c1cc2c(cc1Br)OCCO2 ZINC000571847064 567593874 /nfs/dbraw/zinc/59/38/74/567593874.db2.gz NBANTEISTYCBBE-JTQLQIEISA-N 0 1 389.253 3.294 20 0 GGADMN CCNC(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(C)c1 ZINC000439579291 567594531 /nfs/dbraw/zinc/59/45/31/567594531.db2.gz HOXKLAKZAYCIDY-UHFFFAOYSA-N 0 1 375.475 3.155 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1F ZINC000439576332 567594559 /nfs/dbraw/zinc/59/45/59/567594559.db2.gz VPOJMJSNVHGVDA-UHFFFAOYSA-N 0 1 382.438 3.261 20 0 GGADMN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1Cl ZINC000439573675 567594871 /nfs/dbraw/zinc/59/48/71/567594871.db2.gz TVYMEWLEVUGUSM-UHFFFAOYSA-N 0 1 395.893 3.452 20 0 GGADMN O=C(Nc1nc(C(F)(F)F)cs1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000621553973 567595105 /nfs/dbraw/zinc/59/51/05/567595105.db2.gz QYVNBPVRRIKHKJ-RNFRBKRXSA-N 0 1 378.294 3.084 20 0 GGADMN CCn1ccnc1[C@@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459057235 567596793 /nfs/dbraw/zinc/59/67/93/567596793.db2.gz KVJXXEFFWUQVNG-SNVBAGLBSA-N 0 1 391.273 3.102 20 0 GGADMN C[C@@H](CN[C@@H](C(N)=O)c1ccc(F)cc1)Oc1ccc(Br)cc1 ZINC000439642607 567597057 /nfs/dbraw/zinc/59/70/57/567597057.db2.gz FKPCWSGXWSIEST-MEDUHNTESA-N 0 1 381.245 3.172 20 0 GGADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc2cc(Br)ccc2[nH]1 ZINC000505792876 567597053 /nfs/dbraw/zinc/59/70/53/567597053.db2.gz MVLCHEJAMAPPDB-UHFFFAOYSA-N 0 1 382.221 3.185 20 0 GGADMN CC[C@@H](NCCNS(=O)(=O)c1cccnc1)c1ccc(Cl)cc1Cl ZINC000552580187 567597798 /nfs/dbraw/zinc/59/77/98/567597798.db2.gz SNYILOZZVWRKCJ-MRXNPFEDSA-N 0 1 388.320 3.408 20 0 GGADMN Cn1cc(Br)c(CN[C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000645000239 567598347 /nfs/dbraw/zinc/59/83/47/567598347.db2.gz DXQCLWJFPUXENG-SFHVURJKSA-N 0 1 377.330 3.499 20 0 GGADMN CCN(C)c1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cn1 ZINC000480357697 567598470 /nfs/dbraw/zinc/59/84/70/567598470.db2.gz DDVMHYMFYMUBCH-UHFFFAOYSA-N 0 1 392.297 3.361 20 0 GGADMN CCOC[C@H]1CCCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459130791 567599423 /nfs/dbraw/zinc/59/94/23/567599423.db2.gz GKKPYUKGBANKIQ-GFCCVEGCSA-N 0 1 395.301 3.426 20 0 GGADMN CC1(C)C[C@@H](CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459131284 567599908 /nfs/dbraw/zinc/59/99/08/567599908.db2.gz GQAZJHIEZGBHFJ-NSHDSACASA-N 0 1 395.301 3.330 20 0 GGADMN CCOc1ccc2nc(SCCNS(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000505867169 567599953 /nfs/dbraw/zinc/59/99/53/567599953.db2.gz FKSQATNWMKLFFK-UHFFFAOYSA-N 0 1 377.491 3.032 20 0 GGADMN CCC[C@]1(NC(=O)NCc2nc3cccc(Br)c3[nH]2)CCOC1 ZINC000459131707 567600246 /nfs/dbraw/zinc/60/02/46/567600246.db2.gz HABIKAWTJIZSLI-INIZCTEOSA-N 0 1 381.274 3.084 20 0 GGADMN COC(=O)c1ccc(CN[C@H](C)c2cncc(Br)c2)cc1OC ZINC000571940042 567600567 /nfs/dbraw/zinc/60/05/67/567600567.db2.gz RGOYJSOTZQWDBX-LLVKDONJSA-N 0 1 379.254 3.490 20 0 GGADMN O=C(NCCOC(F)(F)F)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000530435360 567600770 /nfs/dbraw/zinc/60/07/70/567600770.db2.gz WBWRUJNWYIRTKP-AWEZNQCLSA-N 0 1 379.810 3.313 20 0 GGADMN CCO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H]1C ZINC000459140780 567601030 /nfs/dbraw/zinc/60/10/30/567601030.db2.gz NOVNBHSZPWXQQO-FZMZJTMJSA-N 0 1 395.301 3.282 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC[C@@H](O)C1CCCCC1 ZINC000459138826 567601580 /nfs/dbraw/zinc/60/15/80/567601580.db2.gz ATQPWJVDLOGBCB-CQSZACIVSA-N 0 1 395.301 3.066 20 0 GGADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439758107 567601825 /nfs/dbraw/zinc/60/18/25/567601825.db2.gz RBMUOPRBFAMQLE-WDEREUQCSA-N 0 1 390.286 3.308 20 0 GGADMN Cc1csc(NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000571963202 567601931 /nfs/dbraw/zinc/60/19/31/567601931.db2.gz WIQRLCDFMGGFIJ-ZBFHGGJFSA-N 0 1 382.892 3.218 20 0 GGADMN O=S(=O)(NCC1(C(F)F)CC1)c1cc(F)c(Br)cc1F ZINC000480416438 567602251 /nfs/dbraw/zinc/60/22/51/567602251.db2.gz ZEZHALCNFWLJJX-UHFFFAOYSA-N 0 1 376.169 3.051 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cn2ccc(Br)cc2n1 ZINC000505894396 567602406 /nfs/dbraw/zinc/60/24/06/567602406.db2.gz OCWHXZCIFFISMN-INIZCTEOSA-N 0 1 399.292 3.101 20 0 GGADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c1 ZINC000571967022 567603035 /nfs/dbraw/zinc/60/30/35/567603035.db2.gz IHYOFDXXKWUHCW-UHFFFAOYSA-N 0 1 378.841 3.072 20 0 GGADMN CO[C@H]1C[C@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C12CCC2 ZINC000459153836 567603131 /nfs/dbraw/zinc/60/31/31/567603131.db2.gz XPUOCXBNBWUBTE-STQMWFEESA-N 0 1 393.285 3.082 20 0 GGADMN COCCOCCc1ncc(C(=O)N(C)Cc2c(Cl)cccc2Cl)[nH]1 ZINC000645060955 567603162 /nfs/dbraw/zinc/60/31/62/567603162.db2.gz CDNXHFJOALYUED-UHFFFAOYSA-N 0 1 386.279 3.194 20 0 GGADMN Cc1cc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCN(C)CC3)cc2)sc1Cl ZINC000530440186 567603165 /nfs/dbraw/zinc/60/31/65/567603165.db2.gz HDBFETVFBHYIFP-UHFFFAOYSA-N 0 1 399.969 3.258 20 0 GGADMN Cn1cc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c(C(F)(F)F)n1 ZINC000645078803 567603686 /nfs/dbraw/zinc/60/36/86/567603686.db2.gz ZKHLRKWCLBMUNQ-BDAKNGLRSA-N 0 1 393.353 3.086 20 0 GGADMN CC(C)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000505939336 567603942 /nfs/dbraw/zinc/60/39/42/567603942.db2.gz SRNFHBDGLSTEOX-HNNXBMFYSA-N 0 1 382.346 3.363 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000530470041 567603874 /nfs/dbraw/zinc/60/38/74/567603874.db2.gz SSWXLYCDHMEZFE-GFCCVEGCSA-N 0 1 378.519 3.277 20 0 GGADMN CSc1ccccc1NC(=O)CCN1CCN(Cc2cscn2)CC1 ZINC000505922506 567604232 /nfs/dbraw/zinc/60/42/32/567604232.db2.gz ICGPZMHBFRECHH-UHFFFAOYSA-N 0 1 376.551 3.011 20 0 GGADMN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000664988440 567605306 /nfs/dbraw/zinc/60/53/06/567605306.db2.gz ADQCLGZXRLZSKZ-AWEZNQCLSA-N 0 1 392.301 3.265 20 0 GGADMN CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459198359 567606355 /nfs/dbraw/zinc/60/63/55/567606355.db2.gz HNZHHNPCEVNBGN-RISCZKNCSA-N 0 1 395.301 3.018 20 0 GGADMN CC1(C)CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCS1 ZINC000459199727 567606509 /nfs/dbraw/zinc/60/65/09/567606509.db2.gz HZCKAXFLMVPVHK-UHFFFAOYSA-N 0 1 383.315 3.362 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC(C)(C)O1 ZINC000459188774 567606564 /nfs/dbraw/zinc/60/65/64/567606564.db2.gz CNZOVOAZQMDYJZ-SNVBAGLBSA-N 0 1 381.274 3.034 20 0 GGADMN CC(C)CN1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000506034616 567607875 /nfs/dbraw/zinc/60/78/75/567607875.db2.gz HYSKMMWMUVRHBQ-UHFFFAOYSA-N 0 1 396.329 3.047 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCS1 ZINC000459219353 567608016 /nfs/dbraw/zinc/60/80/16/567608016.db2.gz RTOZHHQMOBKZQG-JTQLQIEISA-N 0 1 383.315 3.362 20 0 GGADMN CCCC(O)(CCC)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459218075 567608031 /nfs/dbraw/zinc/60/80/31/567608031.db2.gz QNOUQCFYOJIEOZ-UHFFFAOYSA-N 0 1 397.317 3.456 20 0 GGADMN C[C@H]1SCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H]1C ZINC000459209017 567608118 /nfs/dbraw/zinc/60/81/18/567608118.db2.gz LDAHNUQTWAQUKK-NXEZZACHSA-N 0 1 383.315 3.361 20 0 GGADMN C[C@H]1SCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H]1C ZINC000459209019 567608197 /nfs/dbraw/zinc/60/81/97/567608197.db2.gz LDAHNUQTWAQUKK-VHSXEESVSA-N 0 1 383.315 3.361 20 0 GGADMN O=C(NCCNCc1cccc(O)c1Cl)c1cccc(Br)c1 ZINC000645155748 567608276 /nfs/dbraw/zinc/60/82/76/567608276.db2.gz FOOCLLWDHCIYRN-UHFFFAOYSA-N 0 1 383.673 3.328 20 0 GGADMN CCCCN(CCOC)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459221620 567608458 /nfs/dbraw/zinc/60/84/58/567608458.db2.gz UFPOBEYQLPVEEF-UHFFFAOYSA-N 0 1 383.290 3.284 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCc2ncsc2C1 ZINC000459212766 567608475 /nfs/dbraw/zinc/60/84/75/567608475.db2.gz MOHWXCXJKVYFLW-UHFFFAOYSA-N 0 1 392.282 3.050 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCCO1 ZINC000459220515 567608522 /nfs/dbraw/zinc/60/85/22/567608522.db2.gz SPFFHSBGEMWGKK-LLVKDONJSA-N 0 1 381.274 3.036 20 0 GGADMN C[C@H]1CSCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459219300 567608690 /nfs/dbraw/zinc/60/86/90/567608690.db2.gz RPXSUFSVILNJSI-SNVBAGLBSA-N 0 1 383.315 3.220 20 0 GGADMN COC[C@H]1CCCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000459207800 567608900 /nfs/dbraw/zinc/60/89/00/567608900.db2.gz KRFYGAXEOVWMTL-LBPRGKRZSA-N 0 1 395.301 3.284 20 0 GGADMN C[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCS1 ZINC000459211979 567608970 /nfs/dbraw/zinc/60/89/70/567608970.db2.gz MHVAVWXFOLTSQT-JTQLQIEISA-N 0 1 383.315 3.362 20 0 GGADMN CN(C(=O)NCc1nc2cccc(Br)c2[nH]1)C1CCC(CO)CC1 ZINC000459212771 567608985 /nfs/dbraw/zinc/60/89/85/567608985.db2.gz MOQXTJXCFWUQTK-UHFFFAOYSA-N 0 1 395.301 3.018 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000459210034 567609015 /nfs/dbraw/zinc/60/90/15/567609015.db2.gz LGAHRWIZMZDJTE-GHMZBOCLSA-N 0 1 381.274 3.034 20 0 GGADMN CCCN(CC(C)(C)O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459226317 567609492 /nfs/dbraw/zinc/60/94/92/567609492.db2.gz YCXQVGHJRUJBLH-UHFFFAOYSA-N 0 1 383.290 3.018 20 0 GGADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NCC1(CCO)CCCC1 ZINC000459228155 567609664 /nfs/dbraw/zinc/60/96/64/567609664.db2.gz ZDRMUDZECJHYGQ-UHFFFAOYSA-N 0 1 395.301 3.067 20 0 GGADMN COC1(C)CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459225824 567609914 /nfs/dbraw/zinc/60/99/14/567609914.db2.gz YABYKQJLRYMBRF-UHFFFAOYSA-N 0 1 381.274 3.036 20 0 GGADMN C[C@H](CN1CCOCC1)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439979731 567610165 /nfs/dbraw/zinc/61/01/65/567610165.db2.gz MXRIZVVBASDSLI-OAHLLOKOSA-N 0 1 395.341 3.123 20 0 GGADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2cc(Br)ccc2C)cn1 ZINC000439957906 567610315 /nfs/dbraw/zinc/61/03/15/567610315.db2.gz QJFZWUUQQLJJEG-UHFFFAOYSA-N 0 1 388.269 3.294 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CCN1CC(C)(C)O ZINC000439964153 567610420 /nfs/dbraw/zinc/61/04/20/567610420.db2.gz PEFSYJBMFVMEFZ-SNVBAGLBSA-N 0 1 378.275 3.441 20 0 GGADMN O=c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c[nH]1 ZINC000572059503 567610471 /nfs/dbraw/zinc/61/04/71/567610471.db2.gz ZUAYEOLHLCHMNQ-UHFFFAOYSA-N 0 1 381.610 3.143 20 0 GGADMN O=C(CCc1cnc[nH]1)Nc1nc2ccc(I)cc2s1 ZINC000506117569 567610808 /nfs/dbraw/zinc/61/08/08/567610808.db2.gz HCWKEUDBJLPKIF-UHFFFAOYSA-N 0 1 398.229 3.195 20 0 GGADMN O=C(NCCc1ccc(Cl)s1)NCC1(N2CCOCC2)CCCCC1 ZINC000506114996 567610859 /nfs/dbraw/zinc/61/08/59/567610859.db2.gz VHORMZSHFFWJIY-UHFFFAOYSA-N 0 1 385.961 3.278 20 0 GGADMN CN(CCc1cccc(Br)c1)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459270459 567611084 /nfs/dbraw/zinc/61/10/84/567611084.db2.gz YTAGHOLOPHYJAR-UHFFFAOYSA-N 0 1 394.317 3.249 20 0 GGADMN [O-]c1c(F)cc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)cc1Br ZINC000621808731 567611770 /nfs/dbraw/zinc/61/17/70/567611770.db2.gz VILAXKNPTCNGTH-QMMMGPOBSA-N 0 1 379.189 3.270 20 0 GGADMN C[N@H+](Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1)[C@H]1CCSC1 ZINC000621808525 567612338 /nfs/dbraw/zinc/61/23/38/567612338.db2.gz MJPOXUIACLRISW-VIFPVBQESA-N 0 1 388.262 3.281 20 0 GGADMN C[N@@H+](Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1)[C@H]1CCSC1 ZINC000621808525 567612341 /nfs/dbraw/zinc/61/23/41/567612341.db2.gz MJPOXUIACLRISW-VIFPVBQESA-N 0 1 388.262 3.281 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440037825 567612675 /nfs/dbraw/zinc/61/26/75/567612675.db2.gz QFUFRISJSPSDFP-NSHDSACASA-N 0 1 388.270 3.204 20 0 GGADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCc1cccc(Br)c1 ZINC000530591320 567612714 /nfs/dbraw/zinc/61/27/14/567612714.db2.gz MUKJZHLYQLVBCX-UHFFFAOYSA-N 0 1 380.242 3.229 20 0 GGADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2sccc2Br)cn1 ZINC000572093832 567613183 /nfs/dbraw/zinc/61/31/83/567613183.db2.gz YGSGKQWDTPGJCY-ZBINZKHDSA-N 0 1 397.342 3.398 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cc(Br)c[nH]c2=O)N2CCCC2)o1 ZINC000621824758 567613545 /nfs/dbraw/zinc/61/35/45/567613545.db2.gz WUSGBKDDNJQLMQ-AWEZNQCLSA-N 0 1 394.269 3.018 20 0 GGADMN C[C@H]1C[C@H](NCCC(=O)N(C)Cc2ccccc2Br)c2nccn21 ZINC000572110146 567614143 /nfs/dbraw/zinc/61/41/43/567614143.db2.gz JEAFYRNCXHITGK-BBRMVZONSA-N 0 1 391.313 3.290 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000506193050 567614741 /nfs/dbraw/zinc/61/47/41/567614741.db2.gz RZXGTYISNBUFDO-ZIAGYGMSSA-N 0 1 388.339 3.334 20 0 GGADMN O=S(=O)(c1ccccc1Cl)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000480600449 567614917 /nfs/dbraw/zinc/61/49/17/567614917.db2.gz KCQOTWWNWPHNJA-CALCHBBNSA-N 0 1 376.909 3.093 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000440075863 567615359 /nfs/dbraw/zinc/61/53/59/567615359.db2.gz TZOZTEQZXOFFPJ-UGSOOPFHSA-N 0 1 382.913 3.318 20 0 GGADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NCc2cnn(C)c2)C1=O ZINC000506207910 567615589 /nfs/dbraw/zinc/61/55/89/567615589.db2.gz YZVLSTPKJJRHML-MRXNPFEDSA-N 0 1 391.313 3.085 20 0 GGADMN Cn1cc(Br)c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000645281958 567615744 /nfs/dbraw/zinc/61/57/44/567615744.db2.gz UACYXTYXANTWQA-MRXNPFEDSA-N 0 1 391.313 3.140 20 0 GGADMN COc1cc(S(=O)(=O)Nc2ccc(SC)nc2)ccc1Br ZINC000530634047 567616460 /nfs/dbraw/zinc/61/64/60/567616460.db2.gz QFGLBTXNGJXLJL-UHFFFAOYSA-N 0 1 389.296 3.375 20 0 GGADMN Cn1cc(Br)c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000645281957 567616431 /nfs/dbraw/zinc/61/64/31/567616431.db2.gz UACYXTYXANTWQA-INIZCTEOSA-N 0 1 391.313 3.140 20 0 GGADMN O=C(Nc1nnc(-c2ccsc2)s1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000621854027 567616691 /nfs/dbraw/zinc/61/66/91/567616691.db2.gz GXQODYPOQGBGMZ-NXEZZACHSA-N 0 1 393.412 3.189 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)C1(C(=O)NC2CC2)CCC1 ZINC000530656337 567616733 /nfs/dbraw/zinc/61/67/33/567616733.db2.gz GRYLPNCIVNIMMO-UHFFFAOYSA-N 0 1 387.661 3.196 20 0 GGADMN COC(=O)CCn1nc(C)c(CN(C)Cc2cccc(Br)c2)c1C ZINC000506233704 567616854 /nfs/dbraw/zinc/61/68/54/567616854.db2.gz PJHCKHKTDXYUHI-UHFFFAOYSA-N 0 1 394.313 3.458 20 0 GGADMN CS(=O)(=O)N(CC(F)(F)F)C1CCN(CCc2cccc(Cl)c2)CC1 ZINC000459354975 567617084 /nfs/dbraw/zinc/61/70/84/567617084.db2.gz TVHIMJFQBZIIHM-UHFFFAOYSA-N 0 1 398.878 3.171 20 0 GGADMN COCCN1CCC[C@@H](NC(=O)c2cc(Br)c3ccccc3c2)C1 ZINC000645325069 567617756 /nfs/dbraw/zinc/61/77/56/567617756.db2.gz NEUBCNUNOQCQAP-MRXNPFEDSA-N 0 1 391.309 3.443 20 0 GGADMN O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000480658066 567618502 /nfs/dbraw/zinc/61/85/02/567618502.db2.gz CGRPOCPPSOHPFO-CQSZACIVSA-N 0 1 382.291 3.435 20 0 GGADMN CCN1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000552984427 567618877 /nfs/dbraw/zinc/61/88/77/567618877.db2.gz ZBZYCSPBVQLYPU-CQSZACIVSA-N 0 1 377.941 3.482 20 0 GGADMN COCCN1CC[C@@H](NC(=O)c2cc(Br)c3ccccc3c2)C1 ZINC000645340709 567619229 /nfs/dbraw/zinc/61/92/29/567619229.db2.gz FXOBXYUUGOMTMQ-OAHLLOKOSA-N 0 1 377.282 3.053 20 0 GGADMN CCOC(=O)c1noc(CNC(C)(C)Cc2ccc(Br)cc2)n1 ZINC000459376664 567619242 /nfs/dbraw/zinc/61/92/42/567619242.db2.gz LIFAAJLXMRZVOJ-UHFFFAOYSA-N 0 1 382.258 3.120 20 0 GGADMN O=C([O-])CCC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000665341759 567619388 /nfs/dbraw/zinc/61/93/88/567619388.db2.gz DJPKIAZTHBRLHZ-UHFFFAOYSA-N 0 1 384.270 3.297 20 0 GGADMN O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccc(C(F)(F)F)cn1 ZINC000480679008 567619892 /nfs/dbraw/zinc/61/98/92/567619892.db2.gz UHVKGAGHMNOKBJ-UHFFFAOYSA-N 0 1 394.758 3.326 20 0 GGADMN COc1cc(C)c(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000530722967 567620565 /nfs/dbraw/zinc/62/05/65/567620565.db2.gz BSDWRZFWZSJHGB-UHFFFAOYSA-N 0 1 383.897 3.229 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NCc2cc(Cl)cc(Cl)c2)C1 ZINC000665345295 567621561 /nfs/dbraw/zinc/62/15/61/567621561.db2.gz LUTYIXHKOGJEBW-KGLIPLIRSA-N 0 1 384.267 3.092 20 0 GGADMN COCCC[C@H](CNC(=O)CN(C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000553029158 567621644 /nfs/dbraw/zinc/62/16/44/567621644.db2.gz XOTQPUPTRRONFF-SJLPKXTDSA-N 0 1 384.973 3.404 20 0 GGADMN CCc1cc(N2CCC[C@H](NCc3cccc(O)c3Br)C2)ncn1 ZINC000459409167 567621815 /nfs/dbraw/zinc/62/18/15/567621815.db2.gz XUZDLVGOUUYJSL-HNNXBMFYSA-N 0 1 391.313 3.266 20 0 GGADMN CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000530749296 567622010 /nfs/dbraw/zinc/62/20/10/567622010.db2.gz HIVRVOPTSSUKNP-SNVBAGLBSA-N 0 1 375.694 3.268 20 0 GGADMN [O-]c1cccc(C[NH2+]CCCc2nnc3n2CCCCC3)c1Br ZINC000459410578 567622489 /nfs/dbraw/zinc/62/24/89/567622489.db2.gz SLHUOOGUZRYSND-UHFFFAOYSA-N 0 1 379.302 3.195 20 0 GGADMN CN(C)S(=O)(=O)c1ccc(CNCc2cnc(-c3ccsc3)s2)cc1 ZINC000530763582 567622378 /nfs/dbraw/zinc/62/23/78/567622378.db2.gz IQVMZGJGTHFWGJ-UHFFFAOYSA-N 0 1 393.559 3.412 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000530767134 567622485 /nfs/dbraw/zinc/62/24/85/567622485.db2.gz AGTPKHVUMRQNAS-HWHUXHBOSA-N 0 1 378.314 3.229 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2nccc(Br)c2C)CCN1CCOC ZINC000572226152 567622704 /nfs/dbraw/zinc/62/27/04/567622704.db2.gz GZBSZTQFDKEKKP-AWEZNQCLSA-N 0 1 399.333 3.117 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OC)cc2Br)[C@@H]1SC ZINC000459434870 567623469 /nfs/dbraw/zinc/62/34/69/567623469.db2.gz VDSUWJPTXLREPD-MAZHCROVSA-N 0 1 390.343 3.465 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OC)cc2Br)[C@@H]1SC ZINC000459434871 567623644 /nfs/dbraw/zinc/62/36/44/567623644.db2.gz VDSUWJPTXLREPD-WQVCFCJDSA-N 0 1 390.343 3.465 20 0 GGADMN CCc1cc(N2CCC([NH2+]Cc3cccc([O-])c3Br)CC2)ncn1 ZINC000459419991 567624023 /nfs/dbraw/zinc/62/40/23/567624023.db2.gz FQCLHYHDYDJNRS-UHFFFAOYSA-N 0 1 391.313 3.266 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)CCc1cccs1 ZINC000480733682 567624739 /nfs/dbraw/zinc/62/47/39/567624739.db2.gz BILOPTRYKDARIT-HKUYNNGSSA-N 0 1 376.547 3.237 20 0 GGADMN COc1cc(NCCNCc2cccc(O)c2Br)cc(OC)c1 ZINC000459446701 567625311 /nfs/dbraw/zinc/62/53/11/567625311.db2.gz JBLQNMNTDGBGDA-UHFFFAOYSA-N 0 1 381.270 3.374 20 0 GGADMN C[C@@H]1C[C@@H](N[C@@H]2CCc3sc(Br)cc32)C(=O)N1c1cnn(C)c1 ZINC000645436347 567625416 /nfs/dbraw/zinc/62/54/16/567625416.db2.gz NPSXEEVWHAPTGQ-OASPWFOLSA-N 0 1 395.326 3.015 20 0 GGADMN COc1c(Br)cc(Cl)cc1NC(=O)CSc1nnc(C)[nH]1 ZINC000530804562 567625451 /nfs/dbraw/zinc/62/54/51/567625451.db2.gz AFNWGLLDDOPNEO-UHFFFAOYSA-N 0 1 391.678 3.268 20 0 GGADMN COc1c(Br)cc(Cl)cc1NC(=O)CSc1nc(C)n[nH]1 ZINC000530804562 567625455 /nfs/dbraw/zinc/62/54/55/567625455.db2.gz AFNWGLLDDOPNEO-UHFFFAOYSA-N 0 1 391.678 3.268 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1nc2c(s1)COCC2)c1ccc(Cl)cc1 ZINC000530837249 567626641 /nfs/dbraw/zinc/62/66/41/567626641.db2.gz MYDQZLOHIXDFSC-AWEZNQCLSA-N 0 1 380.901 3.294 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000480750363 567627228 /nfs/dbraw/zinc/62/72/28/567627228.db2.gz NXIXSYMCIFFAAV-MEBBXXQBSA-N 0 1 378.307 3.452 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCCOCC(F)(F)F)c1ccc(Cl)cc1 ZINC000530839153 567627263 /nfs/dbraw/zinc/62/72/63/567627263.db2.gz BHVZSDRKYDNCMN-AWEZNQCLSA-N 0 1 381.826 3.211 20 0 GGADMN C[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@H+]1CCCC[C@H]1C ZINC000506509346 567628225 /nfs/dbraw/zinc/62/82/25/567628225.db2.gz IHBXHOKILGYHTL-OLZOCXBDSA-N 0 1 379.302 3.090 20 0 GGADMN C[N@H+](CCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F)C1CCCCC1 ZINC000645459839 567628567 /nfs/dbraw/zinc/62/85/67/567628567.db2.gz MNPOJOBIVHPLSE-UHFFFAOYSA-N 0 1 379.448 3.033 20 0 GGADMN C[N@@H+](CCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F)C1CCCCC1 ZINC000645459839 567628574 /nfs/dbraw/zinc/62/85/74/567628574.db2.gz MNPOJOBIVHPLSE-UHFFFAOYSA-N 0 1 379.448 3.033 20 0 GGADMN C[C@H](CNC(=O)c1cn2ccc(Br)cc2n1)[N@H+]1CCCC[C@H]1C ZINC000506509344 567628830 /nfs/dbraw/zinc/62/88/30/567628830.db2.gz IHBXHOKILGYHTL-CHWSQXEVSA-N 0 1 379.302 3.090 20 0 GGADMN O=S1(=O)CCC[C@H](N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000480760132 567628986 /nfs/dbraw/zinc/62/89/86/567628986.db2.gz QACMHKJBXRKLKO-LSDHHAIUSA-N 0 1 376.291 3.206 20 0 GGADMN COc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c(Br)c1 ZINC000530882183 567628997 /nfs/dbraw/zinc/62/89/97/567628997.db2.gz WGZKNUFQDGEEHR-UHFFFAOYSA-N 0 1 378.201 3.403 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2c(Cl)cccc2Br)C1 ZINC000665539285 567629055 /nfs/dbraw/zinc/62/90/55/567629055.db2.gz GDLKBRZGPHSLMX-LBPRGKRZSA-N 0 1 389.721 3.189 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2cn3cc(Br)cc(C)c3n2)[C@@H]1SC ZINC000459493992 567629254 /nfs/dbraw/zinc/62/92/54/567629254.db2.gz ZRVLLPCQTREZOY-KFWWJZLASA-N 0 1 384.343 3.404 20 0 GGADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000480770691 567630213 /nfs/dbraw/zinc/63/02/13/567630213.db2.gz SNEKRIYSYYWURG-UHFFFAOYSA-N 0 1 382.551 3.126 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)Nc2cc(Br)c(F)cc2F)n[nH]1 ZINC000459502030 567630557 /nfs/dbraw/zinc/63/05/57/567630557.db2.gz JBLYTOOEBKALAE-UHFFFAOYSA-N 0 1 388.216 3.465 20 0 GGADMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(C)c2C)c1OC ZINC000506577321 567630855 /nfs/dbraw/zinc/63/08/55/567630855.db2.gz IMCNVSOIZPWNHA-UHFFFAOYSA-N 0 1 382.869 3.126 20 0 GGADMN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccsc1 ZINC000506554595 567630934 /nfs/dbraw/zinc/63/09/34/567630934.db2.gz JQJLPUQIOKCSJR-UHFFFAOYSA-N 0 1 394.499 3.350 20 0 GGADMN Cc1[nH]ncc1C1CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000622032988 567632080 /nfs/dbraw/zinc/63/20/80/567632080.db2.gz CGQCNZYEKHZWIF-UHFFFAOYSA-N 0 1 392.253 3.229 20 0 GGADMN CCc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)cc1 ZINC000506585366 567632668 /nfs/dbraw/zinc/63/26/68/567632668.db2.gz XCINYMRSWYFCJV-UHFFFAOYSA-N 0 1 382.869 3.071 20 0 GGADMN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000506593597 567632703 /nfs/dbraw/zinc/63/27/03/567632703.db2.gz JPNTXDNXEYOZQG-UHFFFAOYSA-N 0 1 387.816 3.465 20 0 GGADMN CC1(c2ccc(Br)cc2)CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000440533834 567632938 /nfs/dbraw/zinc/63/29/38/567632938.db2.gz IPJRWVXFXBWNPW-QGZVFWFLSA-N 0 1 395.341 3.098 20 0 GGADMN Cc1cc(I)ccc1NS(=O)(=O)c1ccsc1 ZINC000506591331 567633070 /nfs/dbraw/zinc/63/30/70/567633070.db2.gz ARLRGUPVCXOFPM-UHFFFAOYSA-N 0 1 379.244 3.462 20 0 GGADMN COC(=O)CC1(CN[C@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000440595685 567633676 /nfs/dbraw/zinc/63/36/76/567633676.db2.gz IGOSKMSMLPPJOT-LLVKDONJSA-N 0 1 384.270 3.214 20 0 GGADMN C[C@@H]1CN(CCSc2nc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000665685748 567634264 /nfs/dbraw/zinc/63/42/64/567634264.db2.gz NRCGYYQMRONWFM-LLVKDONJSA-N 0 1 383.315 3.047 20 0 GGADMN O=S(=O)(Nc1ccnn1Cc1ccc(Br)cc1)c1ccoc1 ZINC000506612854 567634403 /nfs/dbraw/zinc/63/44/03/567634403.db2.gz BICYIGMNPMIKJZ-UHFFFAOYSA-N 0 1 382.239 3.088 20 0 GGADMN COC(=O)c1cc(NS(=O)(=O)c2cncc(Br)c2)cc(C)c1C ZINC000506648024 567635307 /nfs/dbraw/zinc/63/53/07/567635307.db2.gz IWSUCSWVPHTQNW-UHFFFAOYSA-N 0 1 399.266 3.048 20 0 GGADMN O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000645513846 567635671 /nfs/dbraw/zinc/63/56/71/567635671.db2.gz QFDJOUYAWHDTDI-GFCCVEGCSA-N 0 1 398.834 3.097 20 0 GGADMN COCCOc1ccc(F)cc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000506638557 567635740 /nfs/dbraw/zinc/63/57/40/567635740.db2.gz DTSPHMZUJQDYDS-UHFFFAOYSA-N 0 1 387.860 3.489 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCNCc2cnc(-c3ccsc3)s2)cc1 ZINC000531001780 567635841 /nfs/dbraw/zinc/63/58/41/567635841.db2.gz XHNICRFNRNESDQ-UHFFFAOYSA-N 0 1 393.559 3.248 20 0 GGADMN COc1cc2c(cc1C[NH2+][C@H](C(=O)[O-])c1ccccc1Br)OCO2 ZINC000572434029 567637829 /nfs/dbraw/zinc/63/78/29/567637829.db2.gz MYCCQOUOHONCML-INIZCTEOSA-N 0 1 394.221 3.102 20 0 GGADMN C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413786 567638033 /nfs/dbraw/zinc/63/80/33/567638033.db2.gz URNWDSCBSMGREW-PBHICJAKSA-N 0 1 392.249 3.347 20 0 GGADMN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000622117118 567638227 /nfs/dbraw/zinc/63/82/27/567638227.db2.gz RSZGQTSXVZRGFS-ZDUSSCGKSA-N 0 1 396.285 3.401 20 0 GGADMN Brc1cnc(NC[C@@H]2CSCCN2Cc2ccccc2)nc1 ZINC000553245972 567638207 /nfs/dbraw/zinc/63/82/07/567638207.db2.gz PJKISWIHOSHKMP-OAHLLOKOSA-N 0 1 379.327 3.269 20 0 GGADMN C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000572413787 567638661 /nfs/dbraw/zinc/63/86/61/567638661.db2.gz URNWDSCBSMGREW-RHSMWYFYSA-N 0 1 392.249 3.347 20 0 GGADMN CON1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000459574176 567639273 /nfs/dbraw/zinc/63/92/73/567639273.db2.gz DHGMTNOPYWHQCN-UHFFFAOYSA-N 0 1 379.810 3.255 20 0 GGADMN Cc1cc(I)cnc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000440675083 567639615 /nfs/dbraw/zinc/63/96/15/567639615.db2.gz PJUUJTUQBRXYNU-UHFFFAOYSA-N 0 1 394.172 3.230 20 0 GGADMN C[C@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@H](c1ccccc1)N(C)C ZINC000480894257 567640257 /nfs/dbraw/zinc/64/02/57/567640257.db2.gz FAXAKPSJCZDQQN-SCLBCKFNSA-N 0 1 375.519 3.266 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000665816882 567640264 /nfs/dbraw/zinc/64/02/64/567640264.db2.gz HZRXWJQLFQVFBI-TXEJJXNPSA-N 0 1 387.293 3.126 20 0 GGADMN Cc1c(F)c(Br)ccc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000665816881 567640376 /nfs/dbraw/zinc/64/03/76/567640376.db2.gz HZRXWJQLFQVFBI-RYUDHWBXSA-N 0 1 387.293 3.126 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2c(Cl)cccc2Br)C[C@H](C)O1 ZINC000665817652 567640489 /nfs/dbraw/zinc/64/04/89/567640489.db2.gz WXHGZHNQJHVVHA-RYUDHWBXSA-N 0 1 389.721 3.332 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cnc2ccsc2c1)[C@@H](c1ccccc1)N(C)C ZINC000480894253 567640468 /nfs/dbraw/zinc/64/04/68/567640468.db2.gz FAXAKPSJCZDQQN-ACJLOTCBSA-N 0 1 375.519 3.266 20 0 GGADMN CON1CCC(N(C)Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000459587314 567640697 /nfs/dbraw/zinc/64/06/97/567640697.db2.gz ZEGOGRYBQDWGLT-UHFFFAOYSA-N 0 1 385.302 3.068 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NC/C=C\c2ccc(Br)cc2)n[nH]1 ZINC000572460405 567641057 /nfs/dbraw/zinc/64/10/57/567641057.db2.gz RCORZBIUSBDKCZ-PLNGDYQASA-N 0 1 392.301 3.377 20 0 GGADMN CC(C)(C)c1nc(CNC(=O)NC/C=C/c2ccc(Br)cc2)n[nH]1 ZINC000572460406 567641163 /nfs/dbraw/zinc/64/11/63/567641163.db2.gz RCORZBIUSBDKCZ-SNAWJCMRSA-N 0 1 392.301 3.377 20 0 GGADMN CON1CCC(N(C)Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000459587790 567641301 /nfs/dbraw/zinc/64/13/01/567641301.db2.gz ODHMLJNKUSPNLU-UHFFFAOYSA-N 0 1 387.303 3.018 20 0 GGADMN Cc1nc2sccn2c1CN(C)C(=O)c1cccc(Br)c1O ZINC000531120842 567642410 /nfs/dbraw/zinc/64/24/10/567642410.db2.gz XYYXJRRZLREGFN-UHFFFAOYSA-N 0 1 380.267 3.445 20 0 GGADMN CCN1CCN(C(=O)[C@@H](CCOC)Cc2cccc(Br)c2)[C@H](C)C1 ZINC000553316532 567643048 /nfs/dbraw/zinc/64/30/48/567643048.db2.gz SEONJXCZOGNPBE-WBVHZDCISA-N 0 1 397.357 3.197 20 0 GGADMN O=C(CCOC[C@@H]1CCCO1)Nc1cc(Cl)cc(Br)c1O ZINC000531133725 567643322 /nfs/dbraw/zinc/64/33/22/567643322.db2.gz SMKDVJFYVMLJOJ-JTQLQIEISA-N 0 1 378.650 3.332 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2cncc(Br)c2)C1=O ZINC000572497960 567643362 /nfs/dbraw/zinc/64/33/62/567643362.db2.gz DIGZCALMJYTFMR-DOMZBBRYSA-N 0 1 390.281 3.309 20 0 GGADMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000531143067 567643474 /nfs/dbraw/zinc/64/34/74/567643474.db2.gz ZDRFKUWGXTYCGC-CQSZACIVSA-N 0 1 385.350 3.176 20 0 GGADMN C[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1nc2c(s1)CCC2 ZINC000459634458 567644027 /nfs/dbraw/zinc/64/40/27/567644027.db2.gz NENTVBIZXPVRHR-WCQYABFASA-N 0 1 397.338 3.485 20 0 GGADMN C[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1nc2c(s1)CCC2 ZINC000459634457 567644206 /nfs/dbraw/zinc/64/42/06/567644206.db2.gz NENTVBIZXPVRHR-DGCLKSJQSA-N 0 1 397.338 3.485 20 0 GGADMN C[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1nc2c(s1)CCC2 ZINC000459633989 567644572 /nfs/dbraw/zinc/64/45/72/567644572.db2.gz GYRCMOCJYHROGC-WCQYABFASA-N 0 1 397.338 3.485 20 0 GGADMN CC(C)n1cc([C@@H](C)NC(=O)[C@](C)(N)c2ccc(Br)cc2)cn1 ZINC000572517237 567644837 /nfs/dbraw/zinc/64/48/37/567644837.db2.gz HXVFYPJJVNMGCC-SJKOYZFVSA-N 0 1 379.302 3.278 20 0 GGADMN C[C@H](c1ccc(Br)cc1)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000572505802 567644886 /nfs/dbraw/zinc/64/48/86/567644886.db2.gz FAEYICWYAYRUAG-MRXNPFEDSA-N 0 1 394.357 3.140 20 0 GGADMN CO[C@@H](CS(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000645596985 567645054 /nfs/dbraw/zinc/64/50/54/567645054.db2.gz XYXCFPXJRLGCQQ-HOTGVXAUSA-N 0 1 383.901 3.108 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2cc(Br)cs2)c1 ZINC000459645248 567646212 /nfs/dbraw/zinc/64/62/12/567646212.db2.gz LDUPOAGGRGUSNZ-UHFFFAOYSA-N 0 1 389.340 3.099 20 0 GGADMN CCNS(=O)(=O)c1cccc(CNCc2ccc(C(F)(F)F)s2)c1 ZINC000459650081 567646313 /nfs/dbraw/zinc/64/63/13/567646313.db2.gz SFIAUEWQUXRNGZ-UHFFFAOYSA-N 0 1 378.441 3.355 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1OC(F)(F)F ZINC000645610135 567646484 /nfs/dbraw/zinc/64/64/84/567646484.db2.gz PZOPBMRJNVFSFH-JTQLQIEISA-N 0 1 395.790 3.318 20 0 GGADMN CN(C)C(=O)Nc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c(Cl)c1 ZINC000506915013 567648516 /nfs/dbraw/zinc/64/85/16/567648516.db2.gz FHLZFFOABBXTKP-UHFFFAOYSA-N 0 1 375.738 3.428 20 0 GGADMN O=[S@](CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459667857 567648983 /nfs/dbraw/zinc/64/89/83/567648983.db2.gz SMMRAAAALJBBBL-IVCQMTBJSA-N 0 1 375.456 3.475 20 0 GGADMN Cc1nc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)sc1Br ZINC000531254526 567649446 /nfs/dbraw/zinc/64/94/46/567649446.db2.gz HYQBOIKUERXVPD-LLVKDONJSA-N 0 1 391.287 3.319 20 0 GGADMN CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1cccs1 ZINC000506917505 567649980 /nfs/dbraw/zinc/64/99/80/567649980.db2.gz 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O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccnc(-c2ncc[nH]2)c1 ZINC000645656719 567653157 /nfs/dbraw/zinc/65/31/57/567653157.db2.gz QOABVDLAQLAETK-UHFFFAOYSA-N 0 1 383.209 3.363 20 0 GGADMN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cncc(Cl)c3)cc2)n1 ZINC000506995339 567653371 /nfs/dbraw/zinc/65/33/71/567653371.db2.gz QBPFRJANUSROAE-UHFFFAOYSA-N 0 1 376.825 3.427 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CCN1 ZINC000531354528 567654072 /nfs/dbraw/zinc/65/40/72/567654072.db2.gz RITIULLOBNJQGC-UHFFFAOYSA-N 0 1 381.263 3.400 20 0 GGADMN COc1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1Br ZINC000507012919 567653998 /nfs/dbraw/zinc/65/39/98/567653998.db2.gz MQIKZFPFUNBBMV-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN CC(C)OCCOCc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507019538 567654023 /nfs/dbraw/zinc/65/40/23/567654023.db2.gz CNKSISNPKNWXAE-UHFFFAOYSA-N 0 1 384.885 3.477 20 0 GGADMN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507009237 567654094 /nfs/dbraw/zinc/65/40/94/567654094.db2.gz XHOBYPXYASGSRC-UHFFFAOYSA-N 0 1 376.825 3.427 20 0 GGADMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cncc(Cl)c3)c2)n1 ZINC000507021946 567654474 /nfs/dbraw/zinc/65/44/74/567654474.db2.gz LVBNVLDQIIQHLO-UHFFFAOYSA-N 0 1 378.841 3.457 20 0 GGADMN CCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000622770244 567654814 /nfs/dbraw/zinc/65/48/14/567654814.db2.gz LBWKCFFSSGOHBI-UHFFFAOYSA-N 0 1 382.295 3.214 20 0 GGADMN O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cccc(Br)c1O ZINC000531364470 567654959 /nfs/dbraw/zinc/65/49/59/567654959.db2.gz WSRWNEYYXQJREC-UHFFFAOYSA-N 0 1 378.201 3.143 20 0 GGADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc(-n2ccnc2)nn1 ZINC000531372266 567655218 /nfs/dbraw/zinc/65/52/18/567655218.db2.gz CFMDVGIZYLMIIU-UHFFFAOYSA-N 0 1 394.616 3.036 20 0 GGADMN O=C(Cc1cccc(I)c1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507028632 567655459 /nfs/dbraw/zinc/65/54/59/567655459.db2.gz YOMGSVAKZZDFOU-UHFFFAOYSA-N 0 1 395.122 3.214 20 0 GGADMN Cc1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1OC1CCOCC1 ZINC000507022689 567655723 /nfs/dbraw/zinc/65/57/23/567655723.db2.gz QAESMMYRFCQEIV-UHFFFAOYSA-N 0 1 382.869 3.402 20 0 GGADMN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000481072798 567655988 /nfs/dbraw/zinc/65/59/88/567655988.db2.gz AVHLNGAEEACMOS-LBPRGKRZSA-N 0 1 379.791 3.438 20 0 GGADMN Cc1nc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(Br)s1 ZINC000553462163 567656577 /nfs/dbraw/zinc/65/65/77/567656577.db2.gz IOHQOPRPGDULEJ-UHFFFAOYSA-N 0 1 395.326 3.003 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCOc2ccncc21 ZINC000531408513 567656763 /nfs/dbraw/zinc/65/67/63/567656763.db2.gz RUYQQCRDBANOMJ-UHFFFAOYSA-N 0 1 385.221 3.273 20 0 GGADMN Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)cc1Br ZINC000507052640 567656821 /nfs/dbraw/zinc/65/68/21/567656821.db2.gz MAEQVNYCHPURHK-GASCZTMLSA-N 0 1 383.330 3.295 20 0 GGADMN COc1ccc([C@H](CO)CNCc2ccc(OC)c(O)c2Br)cc1 ZINC000459754229 567657488 /nfs/dbraw/zinc/65/74/88/567657488.db2.gz PRCPIODWQLIBDL-AWEZNQCLSA-N 0 1 396.281 3.038 20 0 GGADMN CCN(CCNC(=O)[C@H](C)[C@H]1OCCc2sccc21)CCC(F)(F)F ZINC000507094977 567658588 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CCC1(C)CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000507176400 567664629 /nfs/dbraw/zinc/66/46/29/567664629.db2.gz BAWBEMAAQYNDIK-UHFFFAOYSA-N 0 1 396.329 3.016 20 0 GGADMN O[C@@H](COc1ccc(Br)cc1)CN1CCOC2(CCCCC2)C1 ZINC000441440072 567664969 /nfs/dbraw/zinc/66/49/69/567664969.db2.gz ABIHAYBDLMVPEL-MRXNPFEDSA-N 0 1 384.314 3.224 20 0 GGADMN COc1cccc(C2(CN[C@@H](C(N)=O)c3ccc(Br)cc3)CC2)c1 ZINC000572808436 567666935 /nfs/dbraw/zinc/66/69/35/567666935.db2.gz IKOHMAJUMOQXAS-QGZVFWFLSA-N 0 1 389.293 3.306 20 0 GGADMN C[C@@H](O)C[C@H](CNC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000531580928 567667788 /nfs/dbraw/zinc/66/77/88/567667788.db2.gz AGXCTKJOSNOORT-TZMCWYRMSA-N 0 1 378.266 3.439 20 0 GGADMN O=C(Cn1cc2ccccc2n1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000481311975 567669278 /nfs/dbraw/zinc/66/92/78/567669278.db2.gz LZTDJLTVTZXOPR-UHFFFAOYSA-N 0 1 397.236 3.223 20 0 GGADMN O=S(=O)(c1cncc(F)c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441555659 567669698 /nfs/dbraw/zinc/66/96/98/567669698.db2.gz 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Cc1ncc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1C ZINC000667567377 567756742 /nfs/dbraw/zinc/75/67/42/567756742.db2.gz XLMLMWLBVZTFDG-UHFFFAOYSA-N 0 1 391.313 3.342 20 0 GGADMN Cc1c(Br)cncc1CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000667558281 567756975 /nfs/dbraw/zinc/75/69/75/567756975.db2.gz BUSGSZBOXWLWRX-GRDNDAEWSA-N 0 1 382.346 3.226 20 0 GGADMN CCCc1nc(=NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935919 567757356 /nfs/dbraw/zinc/75/73/56/567757356.db2.gz NCFOJSAMZRUEMD-DZGCQCFKSA-N 0 1 379.917 3.133 20 0 GGADMN CCCc1nc(=NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s[n-]1 ZINC000554935919 567757361 /nfs/dbraw/zinc/75/73/61/567757361.db2.gz NCFOJSAMZRUEMD-DZGCQCFKSA-N 0 1 379.917 3.133 20 0 GGADMN CCCN(C(=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl)[C@@H]1CCN(C)C1 ZINC000647045734 567757560 /nfs/dbraw/zinc/75/75/60/567757560.db2.gz ZUJWJRIIHHMZGF-CHWSQXEVSA-N 0 1 386.323 3.113 20 0 GGADMN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1 ZINC000443455719 567758671 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O=S1(=O)NC(CN(Cc2ccc(Cl)cc2)C2CC2)=Nc2ccccc21 ZINC000533241222 567760544 /nfs/dbraw/zinc/76/05/44/567760544.db2.gz UJOLLBOFPTVBRO-UHFFFAOYSA-N 0 1 375.881 3.327 20 0 GGADMN Cc1cc(S(=O)(=O)NCCNCc2cccc(C(F)(F)F)c2)c(C)s1 ZINC000533253675 567760599 /nfs/dbraw/zinc/76/05/99/567760599.db2.gz OSGCNLMDSYJEOS-UHFFFAOYSA-N 0 1 392.468 3.452 20 0 GGADMN CO[C@H](CS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C(C)C ZINC000647123338 567761477 /nfs/dbraw/zinc/76/14/77/567761477.db2.gz OZRVTDYVFQQIJI-CQSZACIVSA-N 0 1 382.404 3.077 20 0 GGADMN CO[C@@H](CS(=O)(=O)Nc1ccccc1NC(=O)c1cccs1)C(C)C ZINC000647126303 567761866 /nfs/dbraw/zinc/76/18/66/567761866.db2.gz OKXUAWFGYQILEU-HNNXBMFYSA-N 0 1 382.507 3.413 20 0 GGADMN CCC[C@H](NS(=O)(=O)c1csnc1C(=O)OC)c1ccc(F)cc1F ZINC000443499995 567762062 /nfs/dbraw/zinc/76/20/62/567762062.db2.gz JINNICCKMUQYBX-LBPRGKRZSA-N 0 1 390.433 3.028 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000533309843 567763446 /nfs/dbraw/zinc/76/34/46/567763446.db2.gz QXCWFUMUTKVYDI-KBPBESRZSA-N 0 1 391.313 3.074 20 0 GGADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(Br)cn1 ZINC000533299689 567763571 /nfs/dbraw/zinc/76/35/71/567763571.db2.gz KLODUKUJIZPLQW-CQSZACIVSA-N 0 1 392.272 3.486 20 0 GGADMN O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(Br)cn1 ZINC000533299688 567764139 /nfs/dbraw/zinc/76/41/39/567764139.db2.gz KLODUKUJIZPLQW-AWEZNQCLSA-N 0 1 392.272 3.486 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000533309846 567764412 /nfs/dbraw/zinc/76/44/12/567764412.db2.gz QXCWFUMUTKVYDI-ZIAGYGMSSA-N 0 1 391.313 3.074 20 0 GGADMN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccoc1 ZINC000508726239 567764355 /nfs/dbraw/zinc/76/43/55/567764355.db2.gz RVXVIMZKTCZRMC-UHFFFAOYSA-N 0 1 376.400 3.051 20 0 GGADMN CN1C(=O)C[C@H](c2nc([C@@H]3CCCN3)no2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647146084 567764704 /nfs/dbraw/zinc/76/47/04/567764704.db2.gz MMAWZXTYFDFWDH-VZJVUDMVSA-N 0 1 381.263 3.488 20 0 GGADMN Cn1ccc2c(NS(=O)(=O)c3ccccc3Br)cccc2c1=O ZINC000443525974 567765090 /nfs/dbraw/zinc/76/50/90/567765090.db2.gz APSVXUQMFXKDHZ-UHFFFAOYSA-N 0 1 393.262 3.102 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000555054148 567765344 /nfs/dbraw/zinc/76/53/44/567765344.db2.gz VOCDXBVWWWNSQZ-LBPRGKRZSA-N 0 1 392.297 3.259 20 0 GGADMN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2ncc(Cl)cc2Cl)CC1 ZINC000574236280 567765512 /nfs/dbraw/zinc/76/55/12/567765512.db2.gz SVAOHNDMFCUUQF-LBPRGKRZSA-N 0 1 394.368 3.270 20 0 GGADMN COc1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ncc1Br ZINC000574235004 567765768 /nfs/dbraw/zinc/76/57/68/567765768.db2.gz ASKDLRJGZUUILP-UHFFFAOYSA-N 0 1 391.674 3.448 20 0 GGADMN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647151037 567766088 /nfs/dbraw/zinc/76/60/88/567766088.db2.gz VFGCCILQRGLGQF-KGLIPLIRSA-N 0 1 391.269 3.234 20 0 GGADMN Brc1csc(-c2noc(CCc3nc([C@@H]4CCCN4)no3)n2)c1 ZINC000647152042 567766313 /nfs/dbraw/zinc/76/63/13/567766313.db2.gz VZKDYRSMVHJIQH-VIFPVBQESA-N 0 1 396.270 3.153 20 0 GGADMN COC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000598428169 567767316 /nfs/dbraw/zinc/76/73/16/567767316.db2.gz LKDLEKZTFDURJE-MEBBXXQBSA-N 0 1 384.263 3.268 20 0 GGADMN CCOc1c(Br)cc(Br)cc1CN1CCN(C)CC1 ZINC000533399036 567767329 /nfs/dbraw/zinc/76/73/29/567767329.db2.gz ZSOJSFQSRVREKL-UHFFFAOYSA-N 0 1 392.135 3.358 20 0 GGADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)CCc2cccc(Cl)c2)o1 ZINC000508807165 567767414 /nfs/dbraw/zinc/76/74/14/567767414.db2.gz UQUAVGJBCYTREV-UHFFFAOYSA-N 0 1 384.929 3.178 20 0 GGADMN Cc1c(NC(=O)c2cc(Br)cc3nc[nH]c32)cnn1[C@@H]1CCOC1 ZINC000574278479 567767858 /nfs/dbraw/zinc/76/78/58/567767858.db2.gz MESVYUXYAYVFEE-LLVKDONJSA-N 0 1 390.241 3.044 20 0 GGADMN O=C(CC1(N2CCOCC2)CCCC1)N1CCc2cc(Br)ccc21 ZINC000533405065 567767962 /nfs/dbraw/zinc/76/79/62/567767962.db2.gz FVTKTLZRRNRMBI-UHFFFAOYSA-N 0 1 393.325 3.373 20 0 GGADMN COCCN(Cc1cn2ccc(Br)cc2n1)[C@@H]1CCCSC1 ZINC000555104128 567767999 /nfs/dbraw/zinc/76/79/99/567767999.db2.gz DAJDJAILJKOFRC-OAHLLOKOSA-N 0 1 384.343 3.441 20 0 GGADMN Cc1nc2n(n1)C[C@@H](NCc1cc(OC(F)F)ccc1Br)CC2 ZINC000647178475 567768407 /nfs/dbraw/zinc/76/84/07/567768407.db2.gz UYWVZEZFRLNVIQ-NSHDSACASA-N 0 1 387.228 3.055 20 0 GGADMN C[C@@]1(C2CCN([C@H]3CCc4c3cc(Cl)cc4Cl)CC2)NC(=O)NC1=O ZINC000443613754 567768411 /nfs/dbraw/zinc/76/84/11/567768411.db2.gz DOZDDNLSGGNPDV-YJBOKZPZSA-N 0 1 382.291 3.291 20 0 GGADMN O=C(NCCCOC(F)F)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000555109788 567769452 /nfs/dbraw/zinc/76/94/52/567769452.db2.gz AAVCTKFPYOAVBF-HNNXBMFYSA-N 0 1 375.847 3.405 20 0 GGADMN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(C)(C)CN1CCOCC1 ZINC000443638348 567769464 /nfs/dbraw/zinc/76/94/64/567769464.db2.gz AFKPPMWILAUDCN-UHFFFAOYSA-N 0 1 388.339 3.222 20 0 GGADMN Cc1cc(C)n(CC[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000574285732 567769858 /nfs/dbraw/zinc/76/98/58/567769858.db2.gz QRCNTFSWWAOWSW-DLBZAZTESA-N 0 1 392.297 3.063 20 0 GGADMN CCC(=O)N1CC[C@H](NCc2cc(OC(F)F)ccc2Br)C1 ZINC000647192555 567769902 /nfs/dbraw/zinc/76/99/02/567769902.db2.gz LDAXHXMEWPDBCP-NSHDSACASA-N 0 1 377.229 3.151 20 0 GGADMN COc1ccccc1[C@H](N)CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000647187899 567770024 /nfs/dbraw/zinc/77/00/24/567770024.db2.gz ZVQHHERMNWIMPW-OAHLLOKOSA-N 0 1 389.304 3.121 20 0 GGADMN C[C@H](CO[C@@H]1CCOC1)NCc1cc(OC(F)F)ccc1Br ZINC000647190888 567770058 /nfs/dbraw/zinc/77/00/58/567770058.db2.gz SXYZMQLKPHLKBB-ZWNOBZJWSA-N 0 1 380.229 3.334 20 0 GGADMN CC(C)CSCCCN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000443674697 567770040 /nfs/dbraw/zinc/77/00/40/567770040.db2.gz OFWRQVSGNKEWDF-UHFFFAOYSA-N 0 1 388.574 3.301 20 0 GGADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc2c(c(Br)c1)OCO2 ZINC000443669335 567770278 /nfs/dbraw/zinc/77/02/78/567770278.db2.gz OKSUQPMPKBYEDM-UHFFFAOYSA-N 0 1 387.193 3.215 20 0 GGADMN O=C(c1cccc(Br)c1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000533450222 567770388 /nfs/dbraw/zinc/77/03/88/567770388.db2.gz BEUGWTQOWJVFIQ-BLLLJJGKSA-N 0 1 379.298 3.244 20 0 GGADMN CCN(CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CCC1 ZINC000533436217 567770487 /nfs/dbraw/zinc/77/04/87/567770487.db2.gz AGGIYNKJFUJBHY-UHFFFAOYSA-N 0 1 396.329 3.029 20 0 GGADMN COc1nc(C)c(Br)cc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000443683996 567771314 /nfs/dbraw/zinc/77/13/14/567771314.db2.gz RNPBIUPEWRZCNQ-UHFFFAOYSA-N 0 1 388.225 3.199 20 0 GGADMN COC[C@@H](NCc1cc(OC(F)F)ccc1Br)[C@H]1CCCO1 ZINC000647207292 567771654 /nfs/dbraw/zinc/77/16/54/567771654.db2.gz IEXDZKKDJAMXOE-ZIAGYGMSSA-N 0 1 380.229 3.334 20 0 GGADMN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCCc2n[nH]nc21 ZINC000667738266 567772211 /nfs/dbraw/zinc/77/22/11/567772211.db2.gz JKIXBZGROKIWAJ-LBPRGKRZSA-N 0 1 377.901 3.070 20 0 GGADMN Cc1nc2c(Cl)cccc2c(N2CC[C@H](S(=O)(=O)NC(C)C)C2)c1C ZINC000555135043 567772210 /nfs/dbraw/zinc/77/22/10/567772210.db2.gz FIXOLWGQCAMXKJ-AWEZNQCLSA-N 0 1 381.929 3.412 20 0 GGADMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000462104267 567772621 /nfs/dbraw/zinc/77/26/21/567772621.db2.gz SPUQOFFNSIBVMJ-CYBMUJFWSA-N 0 1 392.468 3.218 20 0 GGADMN CC[C@H](C)C[C@@H](CO)NCc1ncc(Br)cc1Br ZINC000647245235 567773944 /nfs/dbraw/zinc/77/39/44/567773944.db2.gz UGYDBWLHVSULLT-ONGXEEELSA-N 0 1 380.124 3.493 20 0 GGADMN CC[C@@H](C)C[C@@H](CO)NCc1ncc(Br)cc1Br ZINC000647245233 567774239 /nfs/dbraw/zinc/77/42/39/567774239.db2.gz UGYDBWLHVSULLT-KOLCDFICSA-N 0 1 380.124 3.493 20 0 GGADMN CC(C)[C@H](NCc1cc(Br)cc2c1OCC2)C(=O)N1CCCC1 ZINC000647242675 567774453 /nfs/dbraw/zinc/77/44/53/567774453.db2.gz RLAIUXXNVSEZIX-INIZCTEOSA-N 0 1 381.314 3.121 20 0 GGADMN O=[S@](CCN1CCC[C@@H](Cn2ccnn2)C1)c1cc(Cl)ccc1Cl ZINC000533557775 567775609 /nfs/dbraw/zinc/77/56/09/567775609.db2.gz NOIBJIZFNHKAAH-YEBMWUKDSA-N 0 1 387.336 3.105 20 0 GGADMN Cc1[nH]nc(NS(=O)(=O)Cc2ccc(Br)cc2Cl)c1C ZINC000647267875 567775707 /nfs/dbraw/zinc/77/57/07/567775707.db2.gz CNGCJXQBWYIJPL-UHFFFAOYSA-N 0 1 378.679 3.384 20 0 GGADMN O=S(=O)(NCCNCc1ccc(Cl)c(F)c1)c1ccc(Cl)s1 ZINC000533562617 567775852 /nfs/dbraw/zinc/77/58/52/567775852.db2.gz LOGYAKYXSSTZKM-UHFFFAOYSA-N 0 1 383.297 3.262 20 0 GGADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000533569614 567776450 /nfs/dbraw/zinc/77/64/50/567776450.db2.gz BZOKZZBUGXWKDZ-CYBMUJFWSA-N 0 1 377.897 3.476 20 0 GGADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1ccc(Br)c2ncccc12 ZINC000667864014 567777475 /nfs/dbraw/zinc/77/74/75/567777475.db2.gz LZJWOZPFIRNGCE-UHFFFAOYSA-N 0 1 387.241 3.315 20 0 GGADMN C[C@@H](CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)S(C)(=O)=O ZINC000533588760 567777758 /nfs/dbraw/zinc/77/77/58/567777758.db2.gz ACHSYYLXIITZFP-JOYOIKCWSA-N 0 1 393.349 3.081 20 0 GGADMN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)cc(Br)c1 ZINC000533600037 567777842 /nfs/dbraw/zinc/77/78/42/567777842.db2.gz ZRBHZPFYEFWWNA-UHFFFAOYSA-N 0 1 391.240 3.316 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1Br ZINC000574447202 567778515 /nfs/dbraw/zinc/77/85/15/567778515.db2.gz VCSOQBYPFXJRHY-UHFFFAOYSA-N 0 1 382.239 3.140 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Br)c2)c(C)o1 ZINC000533627293 567778586 /nfs/dbraw/zinc/77/85/86/567778586.db2.gz KAPXKBFRCBFVBY-UHFFFAOYSA-N 0 1 388.239 3.246 20 0 GGADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccsc1Cl)c1ccc(Cl)cc1 ZINC000555322131 567778922 /nfs/dbraw/zinc/77/89/22/567778922.db2.gz KNDGVFYONHTNRX-ZDUSSCGKSA-N 0 1 386.304 3.413 20 0 GGADMN CC[C@H](C)C[C@H](CO)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000647338060 567779736 /nfs/dbraw/zinc/77/97/36/567779736.db2.gz ZYNSLMCECXGATP-HBNTYKKESA-N 0 1 383.341 3.089 20 0 GGADMN CC(C)(CNC(=O)[C@H]1CCCc2n[nH]nc21)c1cccc(Br)c1 ZINC000667885112 567779855 /nfs/dbraw/zinc/77/98/55/567779855.db2.gz LMTXMHIZQXTOIW-ZDUSSCGKSA-N 0 1 377.286 3.081 20 0 GGADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000533635044 567779840 /nfs/dbraw/zinc/77/98/40/567779840.db2.gz GRDJPALNPGSIMB-AWEZNQCLSA-N 0 1 379.913 3.239 20 0 GGADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000574476409 567780263 /nfs/dbraw/zinc/78/02/63/567780263.db2.gz NENJNVOFVGWVRR-UHFFFAOYSA-N 0 1 375.519 3.049 20 0 GGADMN CC[C@H](C)[C@H](NS(=O)(=O)c1cncc(Br)c1)C(F)(F)F ZINC000443944937 567780953 /nfs/dbraw/zinc/78/09/53/567780953.db2.gz QGAAUTBYEYWQHF-XVKPBYJWSA-N 0 1 375.210 3.099 20 0 GGADMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cncc(Br)c1)C(F)(F)F ZINC000443944935 567781460 /nfs/dbraw/zinc/78/14/60/567781460.db2.gz QGAAUTBYEYWQHF-XCBNKYQSSA-N 0 1 375.210 3.099 20 0 GGADMN CC[C@@H](CNS(=O)(=O)CCc1cccs1)N1CCc2ccccc2C1 ZINC000443948182 567781504 /nfs/dbraw/zinc/78/15/04/567781504.db2.gz QCZPVTDLUOGSKE-SFHVURJKSA-N 0 1 378.563 3.047 20 0 GGADMN CC1(C(=O)[O-])CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000647371498 567781793 /nfs/dbraw/zinc/78/17/93/567781793.db2.gz RRTWMXMQPJMANX-UHFFFAOYSA-N 0 1 378.778 3.484 20 0 GGADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000533678457 567781839 /nfs/dbraw/zinc/78/18/39/567781839.db2.gz GWQMAVPOVXIZEX-GFCCVEGCSA-N 0 1 377.204 3.434 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)c(C)s1 ZINC000598667643 567781871 /nfs/dbraw/zinc/78/18/71/567781871.db2.gz WWQGVMQTVXJEHF-INIZCTEOSA-N 0 1 397.294 3.418 20 0 GGADMN COC(=O)CCCc1nnc(NC(=O)c2c(F)ccc(F)c2Cl)s1 ZINC000598685813 567782182 /nfs/dbraw/zinc/78/21/82/567782182.db2.gz SNXDSCPYHGQEMP-UHFFFAOYSA-N 0 1 375.784 3.218 20 0 GGADMN Cc1ccc([C@H](CNCc2cnc(C(F)(F)F)s2)N2CCOCC2)o1 ZINC000443960143 567782375 /nfs/dbraw/zinc/78/23/75/567782375.db2.gz NOPOLFHFPOICFF-ZDUSSCGKSA-N 0 1 375.416 3.226 20 0 GGADMN CC1(C)CCCN(CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000443962655 567782591 /nfs/dbraw/zinc/78/25/91/567782591.db2.gz JEUJRZJBZBTCCV-UHFFFAOYSA-N 0 1 378.460 3.247 20 0 GGADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000533697321 567782764 /nfs/dbraw/zinc/78/27/64/567782764.db2.gz MHNBTGWWMIIKSK-CHWSQXEVSA-N 0 1 377.286 3.446 20 0 GGADMN O=c1[nH]c(N2CC[C@@H](Sc3ccc(Br)cc3)C2)nc2[nH]ncc21 ZINC000624474457 567783182 /nfs/dbraw/zinc/78/31/82/567783182.db2.gz ISERTGHWVWGWHP-LLVKDONJSA-N 0 1 392.282 3.192 20 0 GGADMN Brc1ccc(S[C@H]2CCN(c3ncnc4[nH]cnc43)C2)cc1 ZINC000624474760 567783449 /nfs/dbraw/zinc/78/34/49/567783449.db2.gz XWWJEEVZQAPNQB-LBPRGKRZSA-N 0 1 376.283 3.486 20 0 GGADMN CC(C)[C@H](C(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000574524073 567783433 /nfs/dbraw/zinc/78/34/33/567783433.db2.gz ZLJZXFUWOYHJLM-INIZCTEOSA-N 0 1 387.307 3.431 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2cccc(Br)c2F)C[C@H](C)O1 ZINC000667925159 567785019 /nfs/dbraw/zinc/78/50/19/567785019.db2.gz MSOOZLTVHCNILO-RYUDHWBXSA-N 0 1 388.281 3.209 20 0 GGADMN Cc1cc(Br)c([O-])c(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000574563179 567785486 /nfs/dbraw/zinc/78/54/86/567785486.db2.gz QJUIZQRJONXRRS-GOSISDBHSA-N 0 1 375.266 3.333 20 0 GGADMN CCOc1cc(CN[C@H](CO)CC(F)(F)F)cc(Br)c1OC ZINC000533803244 567787105 /nfs/dbraw/zinc/78/71/05/567787105.db2.gz RLOZXIDEPWVQIG-JTQLQIEISA-N 0 1 386.208 3.259 20 0 GGADMN CCOc1c(Br)cc(CN[C@@H](CO)CC(F)(F)F)cc1OC ZINC000533802353 567787180 /nfs/dbraw/zinc/78/71/80/567787180.db2.gz QIYZMSZMNPHIEJ-SNVBAGLBSA-N 0 1 386.208 3.259 20 0 GGADMN CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cccnc2C)c1 ZINC000533787763 567787251 /nfs/dbraw/zinc/78/72/51/567787251.db2.gz SBBHJYOVISLUKA-UHFFFAOYSA-N 0 1 399.266 3.130 20 0 GGADMN CSc1ccccc1S(=O)(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000444064063 567787772 /nfs/dbraw/zinc/78/77/72/567787772.db2.gz GMIYGVGCXDPHDM-UHFFFAOYSA-N 0 1 382.526 3.300 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@]2(C)OCCc3sccc32)cc1 ZINC000574610704 567788380 /nfs/dbraw/zinc/78/83/80/567788380.db2.gz BGUFFCBMNHZJJV-BEFAXECRSA-N 0 1 379.547 3.296 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@]2(C)OCCc3sccc32)cc1 ZINC000574610708 567788415 /nfs/dbraw/zinc/78/84/15/567788415.db2.gz BGUFFCBMNHZJJV-HNAYVOBHSA-N 0 1 379.547 3.296 20 0 GGADMN C[C@H](NC(=O)c1cccc(Br)c1O)c1ccc([S@@](C)=O)cc1 ZINC000533807583 567788596 /nfs/dbraw/zinc/78/85/96/567788596.db2.gz QNESPHREMSOXSD-MLMJSJRWSA-N 0 1 382.279 3.383 20 0 GGADMN C[C@@H](NC(=O)c1cccc(Br)c1O)c1ccc([S@](C)=O)cc1 ZINC000533807584 567788837 /nfs/dbraw/zinc/78/88/37/567788837.db2.gz QNESPHREMSOXSD-STFLBKPXSA-N 0 1 382.279 3.383 20 0 GGADMN CSc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000444069500 567788875 /nfs/dbraw/zinc/78/88/75/567788875.db2.gz HXSARFNERYPPGC-NVXWUHKLSA-N 0 1 376.547 3.350 20 0 GGADMN COC[C@@H](C)OC[C@H](O)CNCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000574631303 567789095 /nfs/dbraw/zinc/78/90/95/567789095.db2.gz DMLLNSDGBCWZDZ-MLGOLLRUSA-N 0 1 384.929 3.274 20 0 GGADMN COC(=O)c1csc([C@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000574659359 567790643 /nfs/dbraw/zinc/79/06/43/567790643.db2.gz JPTMDERXWZRGGR-KGLIPLIRSA-N 0 1 381.519 3.356 20 0 GGADMN COc1cc(NC(=O)NCCN2CC=CCC2)c(Cl)cc1Br ZINC000668036266 567791219 /nfs/dbraw/zinc/79/12/19/567791219.db2.gz LIHJKYIWEWJLGP-UHFFFAOYSA-N 0 1 388.693 3.495 20 0 GGADMN O=C(CSCC(=O)N1CCCCC1)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000598782286 567791407 /nfs/dbraw/zinc/79/14/07/567791407.db2.gz VFIVFXVPUWLKHI-UHFFFAOYSA-N 0 1 384.864 3.040 20 0 GGADMN CCc1nc(CNC(=O)Nc2cc(OC)c(Br)cc2Cl)n[nH]1 ZINC000668036570 567792131 /nfs/dbraw/zinc/79/21/31/567792131.db2.gz WVEBTMYYLAMQDS-UHFFFAOYSA-N 0 1 388.653 3.113 20 0 GGADMN O=S(=O)(N[C@H](CO)CC(F)(F)F)c1c(Cl)cc(Cl)cc1Cl ZINC000534512043 567813458 /nfs/dbraw/zinc/81/34/58/567813458.db2.gz MCJQNDBXPOVAKC-LURJTMIESA-N 0 1 386.606 3.238 20 0 GGADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000533902470 567792777 /nfs/dbraw/zinc/79/27/77/567792777.db2.gz SBFFTZJOJDHXSR-UHFFFAOYSA-N 0 1 384.251 3.330 20 0 GGADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC(CCO)CC1 ZINC000533971128 567795179 /nfs/dbraw/zinc/79/51/79/567795179.db2.gz DLXOLBRZBWLUEY-UHFFFAOYSA-N 0 1 378.270 3.074 20 0 GGADMN Cc1csc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1Br ZINC000647667787 567795859 /nfs/dbraw/zinc/79/58/59/567795859.db2.gz VBIONTMUKIZIFR-ZDUSSCGKSA-N 0 1 387.343 3.146 20 0 GGADMN CN1CCC2(CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000444193633 567796433 /nfs/dbraw/zinc/79/64/33/567796433.db2.gz IIUFIPOXUIIYKK-UHFFFAOYSA-N 0 1 380.407 3.093 20 0 GGADMN Cc1cc(Br)cc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000444208494 567797050 /nfs/dbraw/zinc/79/70/50/567797050.db2.gz ANSLARJZXFLQRT-SNVBAGLBSA-N 0 1 387.303 3.039 20 0 GGADMN O=C(COc1ccc(Cl)c(Cl)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000624743571 567798206 /nfs/dbraw/zinc/79/82/06/567798206.db2.gz LARCXMLNEFRKEM-OAHLLOKOSA-N 0 1 387.307 3.086 20 0 GGADMN Cc1nc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)ccc1I ZINC000598938441 567798730 /nfs/dbraw/zinc/79/87/30/567798730.db2.gz XVQUHNOAOHDPOC-KCJUWKMLSA-N 0 1 396.232 3.022 20 0 GGADMN O=C([O-])[C@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CCO1 ZINC000668130444 567798497 /nfs/dbraw/zinc/79/84/97/567798497.db2.gz LJXKPZOGFJRYOU-OAHLLOKOSA-N 0 1 377.238 3.165 20 0 GGADMN Cn1cc(-c2ccccc2CNC(=O)c2cccc(Br)c2O)cn1 ZINC000534075495 567798764 /nfs/dbraw/zinc/79/87/64/567798764.db2.gz YYAOSIOQYOTDTL-UHFFFAOYSA-N 0 1 386.249 3.485 20 0 GGADMN CCC[C@H](NC(=O)c1cc(Cl)cc(Br)c1F)c1nn[nH]n1 ZINC000444271930 567798845 /nfs/dbraw/zinc/79/88/45/567798845.db2.gz SVVSZKFDADNAFS-VIFPVBQESA-N 0 1 376.617 3.026 20 0 GGADMN Cc1cc(I)cnc1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC000598933926 567798910 /nfs/dbraw/zinc/79/89/10/567798910.db2.gz MKYPIPQFWPLLOL-QPUJVOFHSA-N 0 1 396.232 3.022 20 0 GGADMN CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000574815218 567799052 /nfs/dbraw/zinc/79/90/52/567799052.db2.gz QGJFBDONZGJFNE-LBPRGKRZSA-N 0 1 390.571 3.143 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cn1 ZINC000444255211 567799221 /nfs/dbraw/zinc/79/92/21/567799221.db2.gz YMDMLWUMQVIKLK-UHFFFAOYSA-N 0 1 376.247 3.316 20 0 GGADMN CCC[C@@H](NC(=O)c1cc(Cl)cc(Br)c1F)c1nn[nH]n1 ZINC000444271929 567799339 /nfs/dbraw/zinc/79/93/39/567799339.db2.gz SVVSZKFDADNAFS-SECBINFHSA-N 0 1 376.617 3.026 20 0 GGADMN O=C(Nc1n[nH]c2ncnn12)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000647737573 567799852 /nfs/dbraw/zinc/79/98/52/567799852.db2.gz PGUOYQYEGYZVCB-UHFFFAOYSA-N 0 1 380.220 3.135 20 0 GGADMN COCCn1cc(CN2CCC(Oc3cccc(Br)c3)CC2)cn1 ZINC000574851208 567800122 /nfs/dbraw/zinc/80/01/22/567800122.db2.gz VAOLSPAYXIJUQT-UHFFFAOYSA-N 0 1 394.313 3.335 20 0 GGADMN Cc1ccc(CC(=O)N2CCC(N3CCOC[C@@H]3C)CC2)cc1Br ZINC000647763649 567800696 /nfs/dbraw/zinc/80/06/96/567800696.db2.gz GRXLNCCNQZWNIO-HNNXBMFYSA-N 0 1 395.341 3.012 20 0 GGADMN Cc1ccc(Br)c(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1 ZINC000647762873 567800959 /nfs/dbraw/zinc/80/09/59/567800959.db2.gz XVVBEKPEKHWVIG-CQSZACIVSA-N 0 1 381.314 3.083 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2ccc(Br)c(Cl)c2F)n[nH]1 ZINC000444312537 567801115 /nfs/dbraw/zinc/80/11/15/567801115.db2.gz MJQUEVFPNYMYGA-ZCFIWIBFSA-N 0 1 375.629 3.413 20 0 GGADMN C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCS1 ZINC000534134605 567801612 /nfs/dbraw/zinc/80/16/12/567801612.db2.gz RCPSLRXTRNWEAO-CRAIPNDOSA-N 0 1 381.973 3.030 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NCCc3cccs3)c12 ZINC000574880666 567801913 /nfs/dbraw/zinc/80/19/13/567801913.db2.gz PETUPMSRNQADOZ-UHFFFAOYSA-N 0 1 376.507 3.476 20 0 GGADMN C[C@H](C[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1CC1)C(=O)[O-] ZINC000574884356 567802180 /nfs/dbraw/zinc/80/21/80/567802180.db2.gz PQGBHEGMHPKMFS-LLVKDONJSA-N 0 1 394.269 3.108 20 0 GGADMN C[C@H](C[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)C1CC1)C(=O)[O-] ZINC000574884356 567802184 /nfs/dbraw/zinc/80/21/84/567802184.db2.gz PQGBHEGMHPKMFS-LLVKDONJSA-N 0 1 394.269 3.108 20 0 GGADMN O=C(CNC(=O)c1ccccc1)Nc1cc(Br)cc(Cl)c1O ZINC000534206637 567803367 /nfs/dbraw/zinc/80/33/67/567803367.db2.gz VRWMMZIJEYUFER-UHFFFAOYSA-N 0 1 383.629 3.177 20 0 GGADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000444389076 567804745 /nfs/dbraw/zinc/80/47/45/567804745.db2.gz NJQFZXHJHGIPMC-OLZOCXBDSA-N 0 1 389.323 3.064 20 0 GGADMN CCc1nc([C@@H](C)NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000534241755 567804837 /nfs/dbraw/zinc/80/48/37/567804837.db2.gz LTMHZWDSTOTCGR-SECBINFHSA-N 0 1 397.913 3.184 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)NCCOc2ncc(Cl)cc2Cl)n[nH]1 ZINC000534259427 567805217 /nfs/dbraw/zinc/80/52/17/567805217.db2.gz URDGGCCHTQFJJY-SECBINFHSA-N 0 1 387.271 3.069 20 0 GGADMN C[C@@H](O)C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000668298515 567805472 /nfs/dbraw/zinc/80/54/72/567805472.db2.gz BASAKAUTAHHGPT-MRVPVSSYSA-N 0 1 379.092 3.262 20 0 GGADMN COc1ccc([C@H](CCO)NC(=O)c2cccc(Br)c2O)cc1 ZINC000534290590 567806672 /nfs/dbraw/zinc/80/66/72/567806672.db2.gz WPWAOCQEIDWENA-HNNXBMFYSA-N 0 1 380.238 3.017 20 0 GGADMN C[C@H]1CN(C(=O)Cc2csc3ccc(Cl)cc23)CCN1CC(C)(C)O ZINC000444546871 567807063 /nfs/dbraw/zinc/80/70/63/567807063.db2.gz IFEPDXIBYFEWSX-ZDUSSCGKSA-N 0 1 380.941 3.401 20 0 GGADMN C[C@H]1CN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CCN1CC(C)(C)O ZINC000444540958 567807337 /nfs/dbraw/zinc/80/73/37/567807337.db2.gz BBKDNQXWEUPENN-ZDUSSCGKSA-N 0 1 385.335 3.329 20 0 GGADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444544507 567807388 /nfs/dbraw/zinc/80/73/88/567807388.db2.gz HSNWEEFADKIGSO-CHWSQXEVSA-N 0 1 389.323 3.064 20 0 GGADMN Cc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1Br ZINC000534315798 567807485 /nfs/dbraw/zinc/80/74/85/567807485.db2.gz PXUITRPHZYLZKS-UHFFFAOYSA-N 0 1 380.307 3.377 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444546137 567807503 /nfs/dbraw/zinc/80/75/03/567807503.db2.gz HMRAFTFZIXOWRL-UONOGXRCSA-N 0 1 387.351 3.476 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574995586 567807875 /nfs/dbraw/zinc/80/78/75/567807875.db2.gz HAXUIKGQCHKGAB-SMDDNHRTSA-N 0 1 379.258 3.137 20 0 GGADMN C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000574995586 567807879 /nfs/dbraw/zinc/80/78/79/567807879.db2.gz HAXUIKGQCHKGAB-SMDDNHRTSA-N 0 1 379.258 3.137 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H](C)c2ccc(Br)s2)[nH]1 ZINC000444557533 567808124 /nfs/dbraw/zinc/80/81/24/567808124.db2.gz MBLCGXGDFWOZEA-ZETCQYMHSA-N 0 1 375.317 3.297 20 0 GGADMN Cc1cc(NC(=O)CN[C@](C)(CO)c2ccccc2)ccc1Br ZINC000599171849 567808520 /nfs/dbraw/zinc/80/85/20/567808520.db2.gz JSZUCSDWTCKMDF-GOSISDBHSA-N 0 1 377.282 3.193 20 0 GGADMN Cc1ccc(NC(=O)CN[C@@](C)(CO)c2ccccc2)c(Br)c1 ZINC000599171880 567808604 /nfs/dbraw/zinc/80/86/04/567808604.db2.gz KJXGXFZCNZNKRS-SFHVURJKSA-N 0 1 377.282 3.193 20 0 GGADMN Cc1ccc(NC(=O)CN[C@](C)(CO)c2ccccc2)c(Br)c1 ZINC000599171879 567808641 /nfs/dbraw/zinc/80/86/41/567808641.db2.gz KJXGXFZCNZNKRS-GOSISDBHSA-N 0 1 377.282 3.193 20 0 GGADMN CNC(=O)[C@H](CCSC)NCc1ccc(OC(F)F)c(Br)c1 ZINC000575020542 567808835 /nfs/dbraw/zinc/80/88/35/567808835.db2.gz UZDPTZKDLXUICF-NSHDSACASA-N 0 1 397.285 3.008 20 0 GGADMN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444571181 567808900 /nfs/dbraw/zinc/80/89/00/567808900.db2.gz MELAVCPCXJCFQU-QWHCGFSZSA-N 0 1 389.323 3.064 20 0 GGADMN C[C@]1(CO)CCC[C@@H]1NCc1c(Br)cncc1Br ZINC000575034950 567809710 /nfs/dbraw/zinc/80/97/10/567809710.db2.gz JGWKBJPYRZXARX-QWHCGFSZSA-N 0 1 378.108 3.247 20 0 GGADMN C[C@@]1(CO)CCC[C@@H]1NCc1c(Br)cncc1Br ZINC000575034951 567809801 /nfs/dbraw/zinc/80/98/01/567809801.db2.gz JGWKBJPYRZXARX-STQMWFEESA-N 0 1 378.108 3.247 20 0 GGADMN CCCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@@H](C)C(=O)OCC ZINC000444626841 567809864 /nfs/dbraw/zinc/80/98/64/567809864.db2.gz OWKHNBDQIHYWNH-JTQLQIEISA-N 0 1 382.258 3.129 20 0 GGADMN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534402157 567810076 /nfs/dbraw/zinc/81/00/76/567810076.db2.gz ILGDRQXORXQTHL-UHFFFAOYSA-N 0 1 381.816 3.480 20 0 GGADMN O[C@H](CN[C@H]1CCOc2ccc(F)cc21)COc1cccc(Br)c1 ZINC000575053807 567810215 /nfs/dbraw/zinc/81/02/15/567810215.db2.gz ZMCMTZCQTKJRIF-PBHICJAKSA-N 0 1 396.256 3.441 20 0 GGADMN O[C@H](CN[C@@H]1CCOc2ccc(F)cc21)COc1cccc(Br)c1 ZINC000575053808 567810367 /nfs/dbraw/zinc/81/03/67/567810367.db2.gz ZMCMTZCQTKJRIF-RHSMWYFYSA-N 0 1 396.256 3.441 20 0 GGADMN CCCc1nc(C)c(CNC[C@H](O)COc2ccc(Br)cc2)o1 ZINC000575053795 567810489 /nfs/dbraw/zinc/81/04/89/567810489.db2.gz YXKFELWZDXDLGE-AWEZNQCLSA-N 0 1 383.286 3.228 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648014282 567810812 /nfs/dbraw/zinc/81/08/12/567810812.db2.gz MDVKXLOZHRVDMH-GFCCVEGCSA-N 0 1 391.256 3.351 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(SC(C)C)cc2)on1 ZINC000599230232 567811087 /nfs/dbraw/zinc/81/10/87/567811087.db2.gz NHVZKODZJDUSLT-LLVKDONJSA-N 0 1 384.479 3.001 20 0 GGADMN O[C@@H]([C@@H]1CCCN(CCOc2ccc(Br)cc2)C1)C(F)(F)F ZINC000444716109 567812206 /nfs/dbraw/zinc/81/22/06/567812206.db2.gz FERGIUHWLSLXOU-RISCZKNCSA-N 0 1 382.220 3.463 20 0 GGADMN OC[C@H](CNCc1cn(-c2ccc(Cl)cc2Cl)nn1)Cc1ccco1 ZINC000534454418 567812442 /nfs/dbraw/zinc/81/24/42/567812442.db2.gz UUTZCXGPQCNYNU-LBPRGKRZSA-N 0 1 381.263 3.108 20 0 GGADMN O=C(Nc1nc(-c2ccsc2)ns1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000668502916 567812597 /nfs/dbraw/zinc/81/25/97/567812597.db2.gz GKLDHJISJDKVRR-ZJUUUORDSA-N 0 1 393.412 3.189 20 0 GGADMN C[C@@H]1CC2(CN1Cc1cn(-c3ccccc3Br)nn1)CCOCC2 ZINC000648071265 567812889 /nfs/dbraw/zinc/81/28/89/567812889.db2.gz WSBBVYSNOAOPGB-CQSZACIVSA-N 0 1 391.313 3.421 20 0 GGADMN O=C(NCc1ccccc1)[C@H]1CCN(Cc2cc(O)ccc2Br)C1 ZINC000648066481 567812896 /nfs/dbraw/zinc/81/28/96/567812896.db2.gz IZMHLXYJIAJBHJ-HNNXBMFYSA-N 0 1 389.293 3.293 20 0 GGADMN Brc1ccc(N2CCN(Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000668537545 567813003 /nfs/dbraw/zinc/81/30/03/567813003.db2.gz OFPFZCCRHHGEPN-UHFFFAOYSA-N 0 1 398.308 3.352 20 0 GGADMN CN(Cc1cc(Br)cc(Br)c1)C[C@H]1COCCO1 ZINC000668547543 567813010 /nfs/dbraw/zinc/81/30/10/567813010.db2.gz UYSUVXRXZOOGEY-ZDUSSCGKSA-N 0 1 379.092 3.059 20 0 GGADMN O=C1CC[C@@H]2CN(Cc3cc(OC(F)F)ccc3Br)CC[C@H]2N1 ZINC000668544027 567813151 /nfs/dbraw/zinc/81/31/51/567813151.db2.gz HILQUGCWOATMNU-QMTHXVAHSA-N 0 1 389.240 3.151 20 0 GGADMN O=C1CC[C@H]2CN(Cc3cc(OC(F)F)ccc3Br)CC[C@@H]2N1 ZINC000668544024 567813211 /nfs/dbraw/zinc/81/32/11/567813211.db2.gz HILQUGCWOATMNU-HZMBPMFUSA-N 0 1 389.240 3.151 20 0 GGADMN C[C@H](Cc1ccncc1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000534509604 567813326 /nfs/dbraw/zinc/81/33/26/567813326.db2.gz KJXYHOBHZZQZGZ-SECBINFHSA-N 0 1 391.237 3.032 20 0 GGADMN O=S(=O)(NCc1cccc(F)c1)c1cc(F)c(Br)cc1F ZINC000534512458 567813362 /nfs/dbraw/zinc/81/33/62/567813362.db2.gz XQSLCMUUPHSQRH-UHFFFAOYSA-N 0 1 380.185 3.345 20 0 GGADMN Cc1cc(Br)cc(CN(C)C[C@H]2COCCO2)c1OC(F)F ZINC000668545459 567813424 /nfs/dbraw/zinc/81/34/24/567813424.db2.gz ROKQFNNROCINKW-ZDUSSCGKSA-N 0 1 380.229 3.206 20 0 GGADMN O=S(=O)(NCCOc1ccccc1)c1cc(F)c(Br)cc1F ZINC000534510876 567813463 /nfs/dbraw/zinc/81/34/63/567813463.db2.gz MFZIEXLTPUUFJW-UHFFFAOYSA-N 0 1 392.221 3.085 20 0 GGADMN CN1Cc2ccccc2[C@H](NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000534531394 567813591 /nfs/dbraw/zinc/81/35/91/567813591.db2.gz USXAFRDGGOCVQV-QGZVFWFLSA-N 0 1 389.293 3.497 20 0 GGADMN C[C@@](N)(C(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccccc1 ZINC000648102092 567813586 /nfs/dbraw/zinc/81/35/86/567813586.db2.gz TXCXZVRXWAIITH-SFHVURJKSA-N 0 1 377.257 3.347 20 0 GGADMN Cc1ccc([C@H](N)C(=O)N2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000648101970 567813648 /nfs/dbraw/zinc/81/36/48/567813648.db2.gz MEMCUYAJAUEMQV-KRWDZBQOSA-N 0 1 377.257 3.481 20 0 GGADMN C[C@@H](CNC(=O)Nc1cncc(Br)c1)N1CCc2ccccc2C1 ZINC000534566746 567814451 /nfs/dbraw/zinc/81/44/51/567814451.db2.gz XEMOAMMXUSGHMS-ZDUSSCGKSA-N 0 1 389.297 3.412 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H]1COc2ccc(Br)cc21)c1ccsc1 ZINC000534608318 567815169 /nfs/dbraw/zinc/81/51/69/567815169.db2.gz CADHJZWTXAWLQP-GJZGRUSLSA-N 0 1 395.322 3.406 20 0 GGADMN O=C(CCc1cc(Br)ccc1F)Nc1ccn(-c2ccncc2)n1 ZINC000534684881 567816012 /nfs/dbraw/zinc/81/60/12/567816012.db2.gz OYRQNZYAUHKXFX-UHFFFAOYSA-N 0 1 389.228 3.162 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2ccc(N3CCCC3)nc2)N(C)C)c1 ZINC000048084931 570218599 /nfs/dbraw/zinc/21/85/99/570218599.db2.gz OKGGTYSBIGESMH-IBGZPJMESA-N 0 1 383.496 3.115 20 0 GGADMN O=S(=O)(Cc1ccccc1)NCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000048275540 570229567 /nfs/dbraw/zinc/22/95/67/570229567.db2.gz HKMJTNAJPYHTEY-UHFFFAOYSA-N 0 1 388.464 3.295 20 0 GGADMN COC(=O)c1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)c(F)cc1F ZINC000048301185 570234494 /nfs/dbraw/zinc/23/44/94/570234494.db2.gz FPAWRVWDOYKPDT-CQSZACIVSA-N 0 1 383.420 3.237 20 0 GGADMN COc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)ccc1OC(C)C ZINC000048353826 570241106 /nfs/dbraw/zinc/24/11/06/570241106.db2.gz WZXHYGJFDGVSKK-UHFFFAOYSA-N 0 1 383.492 3.272 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(Nc3ncccn3)c2)N(C)C)c1 ZINC000048355060 570243571 /nfs/dbraw/zinc/24/35/71/570243571.db2.gz HHXXVRWSRLLRNN-FQEVSTJZSA-N 0 1 391.475 3.262 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1Cl ZINC000048369176 570248302 /nfs/dbraw/zinc/24/83/02/570248302.db2.gz UROGESCNJKOKHQ-GOSISDBHSA-N 0 1 398.898 3.129 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000048375246 570249269 /nfs/dbraw/zinc/24/92/69/570249269.db2.gz AWQSWCBVJNRJME-CYBMUJFWSA-N 0 1 390.399 3.403 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(CCc2ccccc2)CC1 ZINC000012900744 570288173 /nfs/dbraw/zinc/28/81/73/570288173.db2.gz FPSQIFFKXKJVPJ-QGZVFWFLSA-N 0 1 379.504 3.457 20 0 GGADMN Cc1cc(C(=O)CSc2nnc(C)[nH]2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000021586385 570292738 /nfs/dbraw/zinc/29/27/38/570292738.db2.gz XXLIHIPHTCXVMI-OAHLLOKOSA-N 0 1 398.488 3.346 20 0 GGADMN Cc1cc(C(=O)CSc2nc(C)n[nH]2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000021586385 570292740 /nfs/dbraw/zinc/29/27/40/570292740.db2.gz XXLIHIPHTCXVMI-OAHLLOKOSA-N 0 1 398.488 3.346 20 0 GGADMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3)cc2)n1 ZINC000033391078 570297237 /nfs/dbraw/zinc/29/72/37/570297237.db2.gz SRBIPWRIRGGZMN-GHXNOFRVSA-N 0 1 394.456 3.238 20 0 GGADMN Cc1cc(N2CCN(CCC(=O)Nc3ccccc3F)CC2)nc(C(C)C)n1 ZINC000022199973 570307332 /nfs/dbraw/zinc/30/73/32/570307332.db2.gz IUMYJUOOHXSIBE-UHFFFAOYSA-N 0 1 385.487 3.198 20 0 GGADMN CC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000022274472 570311968 /nfs/dbraw/zinc/31/19/68/570311968.db2.gz HOUBWJVUXFHMDH-UHFFFAOYSA-N 0 1 384.379 3.415 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc(F)c1 ZINC000022683077 570324567 /nfs/dbraw/zinc/32/45/67/570324567.db2.gz GTFJWEKYCMFMMM-LEWJYISDSA-N 0 1 386.467 3.416 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)c2cccnc2Sc2ccccc2)C1 ZINC000022694186 570324947 /nfs/dbraw/zinc/32/49/47/570324947.db2.gz DKUBFTRJXYNEFB-QGZVFWFLSA-N 0 1 385.533 3.319 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cccnc2Sc2ccccc2)C1 ZINC000022694183 570324981 /nfs/dbraw/zinc/32/49/81/570324981.db2.gz DKUBFTRJXYNEFB-KRWDZBQOSA-N 0 1 385.533 3.319 20 0 GGADMN Cc1sc2nc([C@@H](C)N3CCN(Cc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000022774380 570327063 /nfs/dbraw/zinc/32/70/63/570327063.db2.gz UOGINCKMLCSDDD-OAHLLOKOSA-N 0 1 382.533 3.480 20 0 GGADMN c1ccc(-n2nnnc2CN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000022786658 570327267 /nfs/dbraw/zinc/32/72/67/570327267.db2.gz ZHTSIVIJOSMJIS-UHFFFAOYSA-N 0 1 384.487 3.133 20 0 GGADMN O=C(Nc1ccccc1)c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000022836085 570330606 /nfs/dbraw/zinc/33/06/06/570330606.db2.gz GQFNJORUAMFYOW-QFIPXVFZSA-N 0 1 379.504 3.236 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1cc2ccccc2o1 ZINC000023143471 570346184 /nfs/dbraw/zinc/34/61/84/570346184.db2.gz POHLFVJJGNIDRT-INIZCTEOSA-N 0 1 393.491 3.140 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)CCCNC(=O)c3ccsc3)CC2)cc1 ZINC000023243242 570352322 /nfs/dbraw/zinc/35/23/22/570352322.db2.gz PDFAGVVLTZIESC-UHFFFAOYSA-N 0 1 399.560 3.301 20 0 GGADMN O=C(CN1CCN(Cc2cccc3ccccc32)CC1)NCc1cccs1 ZINC000023249080 570352413 /nfs/dbraw/zinc/35/24/13/570352413.db2.gz RNGNVYAAEXWEGQ-UHFFFAOYSA-N 0 1 379.529 3.335 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(Cl)ccc1O ZINC000023322595 570354567 /nfs/dbraw/zinc/35/45/67/570354567.db2.gz UKZYMNGJSOORIE-UHFFFAOYSA-N 0 1 394.880 3.473 20 0 GGADMN COc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000237462476 570370039 /nfs/dbraw/zinc/37/00/39/570370039.db2.gz UTEVOXNNCXXQDS-IYBDPMFKSA-N 0 1 386.467 3.374 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](c3ccsc3)N(C)C)c12 ZINC000025331959 570411439 /nfs/dbraw/zinc/41/14/39/570411439.db2.gz XHCYBPXUKFJQME-KRWDZBQOSA-N 0 1 383.521 3.248 20 0 GGADMN O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000027335230 570433173 /nfs/dbraw/zinc/43/31/73/570433173.db2.gz QDFLRJAXSWPGTQ-KRWDZBQOSA-N 0 1 380.448 3.216 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000027590729 570437120 /nfs/dbraw/zinc/43/71/20/570437120.db2.gz NAWFLTCIXOAGSP-RTWAWAEBSA-N 0 1 386.467 3.416 20 0 GGADMN COc1cc(CN[C@@H]2CCCOc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000155488507 570450166 /nfs/dbraw/zinc/45/01/66/570450166.db2.gz ZJHNVLSZUIPYBW-MRXNPFEDSA-N 0 1 390.867 3.216 20 0 GGADMN CC(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCc2ccccc2C1 ZINC000028319027 570457577 /nfs/dbraw/zinc/45/75/77/570457577.db2.gz DGEGUHTWXYPVSL-FQEVSTJZSA-N 0 1 376.497 3.187 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc4cccnc43)cc2C[C@H]1C ZINC000028680590 570462480 /nfs/dbraw/zinc/46/24/80/570462480.db2.gz LEIAJDJWROZUBH-CYBMUJFWSA-N 0 1 381.457 3.333 20 0 GGADMN COc1ccccc1N1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000028842883 570465083 /nfs/dbraw/zinc/46/50/83/570465083.db2.gz YYVMUNWDYLGEQE-NRFANRHFSA-N 0 1 393.531 3.401 20 0 GGADMN COc1ccc(F)cc1CN1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000028885460 570466050 /nfs/dbraw/zinc/46/60/50/570466050.db2.gz DISLHOMBWAVYBP-UHFFFAOYSA-N 0 1 389.446 3.120 20 0 GGADMN Cc1[nH]c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc1Cc1ccccc1 ZINC000006588951 570486635 /nfs/dbraw/zinc/48/66/35/570486635.db2.gz LHDSNKHAKWRUOE-UHFFFAOYSA-N 0 1 393.472 3.209 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000006605541 570496095 /nfs/dbraw/zinc/49/60/95/570496095.db2.gz YGNIUXINDHEDOL-QGZVFWFLSA-N 0 1 397.504 3.257 20 0 GGADMN COc1ccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)cc1NC(C)=O ZINC000006652081 570518962 /nfs/dbraw/zinc/51/89/62/570518962.db2.gz RNIBFKHRYXBXEC-UHFFFAOYSA-N 0 1 398.868 3.425 20 0 GGADMN O=S(=O)(NC1CCN([C@H]2CCc3c2cccc3F)CC1)c1ccc(F)cc1 ZINC000072309397 570531397 /nfs/dbraw/zinc/53/13/97/570531397.db2.gz RTLVISCZAOYSDZ-FQEVSTJZSA-N 0 1 392.471 3.395 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1cccc(F)c1 ZINC000032983590 570572589 /nfs/dbraw/zinc/57/25/89/570572589.db2.gz BJXJJKPLJBZPNK-GOSISDBHSA-N 0 1 399.495 3.269 20 0 GGADMN COc1ccc(-c2noc(CCC(=O)N(C)Cc3cc(C(C)(C)C)[nH]n3)n2)cc1 ZINC000225563666 570588550 /nfs/dbraw/zinc/58/85/50/570588550.db2.gz HIOKHCWYRONMFF-UHFFFAOYSA-N 0 1 397.479 3.357 20 0 GGADMN CC[C@H](C(=O)NCc1ccccc1CN1CCOCC1)N(C)Cc1ccccc1 ZINC000225798094 570618042 /nfs/dbraw/zinc/61/80/42/570618042.db2.gz NCNNRGPRGJDVBS-HSZRJFAPSA-N 0 1 395.547 3.046 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000006962399 570722141 /nfs/dbraw/zinc/72/21/41/570722141.db2.gz LZLJOPSKTOGBJI-QGZVFWFLSA-N 0 1 377.839 3.280 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000032668247 570732550 /nfs/dbraw/zinc/73/25/50/570732550.db2.gz NTSVLFAXDXACDJ-UHFFFAOYSA-N 0 1 380.429 3.434 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000032668249 570732613 /nfs/dbraw/zinc/73/26/13/570732613.db2.gz GZGMRAVKSVVHQJ-UHFFFAOYSA-N 0 1 380.429 3.434 20 0 GGADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007374071 570830736 /nfs/dbraw/zinc/83/07/36/570830736.db2.gz OAYOEBYIXLERTA-KXBFYZLASA-N 0 1 378.444 3.270 20 0 GGADMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000007381527 570835674 /nfs/dbraw/zinc/83/56/74/570835674.db2.gz FBTZPPNKJSQJAZ-UHFFFAOYSA-N 0 1 399.852 3.319 20 0 GGADMN CCc1nsc(N2CCCN(C(=O)c3c[nH]c4ccc(C)cc4c3=O)CC2)n1 ZINC000170594501 570851880 /nfs/dbraw/zinc/85/18/80/570851880.db2.gz UTZNATHUVCYGPY-UHFFFAOYSA-N 0 1 397.504 3.015 20 0 GGADMN CC[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CCN1Cc1ccccc1 ZINC000170595157 570852650 /nfs/dbraw/zinc/85/26/50/570852650.db2.gz ZFDSAFKXVGDZFP-SFHVURJKSA-N 0 1 384.524 3.423 20 0 GGADMN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000042393122 570890935 /nfs/dbraw/zinc/89/09/35/570890935.db2.gz SYMAVSKIKUBTTO-OAHLLOKOSA-N 0 1 388.899 3.057 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@H]2COc3ccccc3C2)N2CCCC2)c1 ZINC000032902476 570898502 /nfs/dbraw/zinc/89/85/02/570898502.db2.gz TZSDBJOOPJTKBO-TZIWHRDSSA-N 0 1 380.488 3.200 20 0 GGADMN O=S(=O)([C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccc(F)cc1)C1CC1 ZINC000089834899 570916742 /nfs/dbraw/zinc/91/67/42/570916742.db2.gz CZBLCZKXOOXFDJ-NRFANRHFSA-N 0 1 388.508 3.394 20 0 GGADMN Cc1nc(CSCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cs1 ZINC000046933868 570937367 /nfs/dbraw/zinc/93/73/67/570937367.db2.gz FNXLZXDGWWJEBT-UHFFFAOYSA-N 0 1 390.578 3.071 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3ccc(-c4ccccc4)cc3)ccn2)CC1 ZINC000047398286 570955023 /nfs/dbraw/zinc/95/50/23/570955023.db2.gz IVURHSYZNGZCIL-UHFFFAOYSA-N 0 1 386.499 3.430 20 0 GGADMN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OCC(C)C)c1 ZINC000252490498 570971063 /nfs/dbraw/zinc/97/10/63/570971063.db2.gz KVDDPKAQXINWNU-UHFFFAOYSA-N 0 1 398.507 3.129 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000045443974 570991453 /nfs/dbraw/zinc/99/14/53/570991453.db2.gz OGJBSJUEYWWTRF-GOEBONIOSA-N 0 1 381.542 3.114 20 0 GGADMN O=C(NC[C@@H]1CCCc2ccccc21)NC1CCN(Cc2ccccn2)CC1 ZINC000045754958 570996318 /nfs/dbraw/zinc/99/63/18/570996318.db2.gz HSONHHHMLKTIOJ-IBGZPJMESA-N 0 1 378.520 3.465 20 0 GGADMN Cc1cc(C(=O)CSc2c[nH]nn2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000170653690 570999206 /nfs/dbraw/zinc/99/92/06/570999206.db2.gz LNMQXTVPQMPFQN-CQSZACIVSA-N 0 1 384.461 3.038 20 0 GGADMN Cc1cc(C)c(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)c(C)c1 ZINC000737249041 598867374 /nfs/dbraw/zinc/86/73/74/598867374.db2.gz QSLHBORGGLABPS-UHFFFAOYSA-N 0 1 377.857 3.246 20 0 GGADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000737301069 598930055 /nfs/dbraw/zinc/93/00/55/598930055.db2.gz HFHAKJCEMHGWDU-UHFFFAOYSA-N 0 1 387.465 3.011 20 0 GGADMN c1csc([C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[NH+]2CCCC2)c1 ZINC000738451017 598955255 /nfs/dbraw/zinc/95/52/55/598955255.db2.gz ALRPTMFSKRFBDL-HNNXBMFYSA-N 0 1 392.492 3.120 20 0 GGADMN c1csc([C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)c1 ZINC000738451017 598955257 /nfs/dbraw/zinc/95/52/57/598955257.db2.gz ALRPTMFSKRFBDL-HNNXBMFYSA-N 0 1 392.492 3.120 20 0 GGADMN CC(C)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC000735708721 598955424 /nfs/dbraw/zinc/95/54/24/598955424.db2.gz OEDABXPRALAGOC-KRWDZBQOSA-N 0 1 380.500 3.122 20 0 GGADMN CC(C)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC000735708721 598955426 /nfs/dbraw/zinc/95/54/26/598955426.db2.gz OEDABXPRALAGOC-KRWDZBQOSA-N 0 1 380.500 3.122 20 0 GGADMN c1ccc(C[NH+]2CCCC2)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738432487 598957072 /nfs/dbraw/zinc/95/70/72/598957072.db2.gz HQCNDOVVQXVGHC-UHFFFAOYSA-N 0 1 386.463 3.018 20 0 GGADMN c1ccc(C[NH+]2CCCC2)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738432487 598957073 /nfs/dbraw/zinc/95/70/73/598957073.db2.gz HQCNDOVVQXVGHC-UHFFFAOYSA-N 0 1 386.463 3.018 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204557 598961181 /nfs/dbraw/zinc/96/11/81/598961181.db2.gz RNWWGBNEWVOOAL-ZBFHGGJFSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204557 598961182 /nfs/dbraw/zinc/96/11/82/598961182.db2.gz RNWWGBNEWVOOAL-ZBFHGGJFSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204557 598961184 /nfs/dbraw/zinc/96/11/84/598961184.db2.gz RNWWGBNEWVOOAL-ZBFHGGJFSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204557 598961185 /nfs/dbraw/zinc/96/11/85/598961185.db2.gz RNWWGBNEWVOOAL-ZBFHGGJFSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204556 598961770 /nfs/dbraw/zinc/96/17/70/598961770.db2.gz RNWWGBNEWVOOAL-HOCLYGCPSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736204556 598961771 /nfs/dbraw/zinc/96/17/71/598961771.db2.gz RNWWGBNEWVOOAL-HOCLYGCPSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204556 598961772 /nfs/dbraw/zinc/96/17/72/598961772.db2.gz RNWWGBNEWVOOAL-HOCLYGCPSA-N 0 1 386.463 3.057 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736204556 598961773 /nfs/dbraw/zinc/96/17/73/598961773.db2.gz RNWWGBNEWVOOAL-HOCLYGCPSA-N 0 1 386.463 3.057 20 0 GGADMN COc1cccc(Oc2ncccc2CNCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737140134 599052119 /nfs/dbraw/zinc/05/21/19/599052119.db2.gz DEHXQUFIWCOMLN-UHFFFAOYSA-N 0 1 388.431 3.352 20 0 GGADMN CN(Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736822672 599131633 /nfs/dbraw/zinc/13/16/33/599131633.db2.gz PDSSXSOGAWVTRS-SFHVURJKSA-N 0 1 396.882 3.148 20 0 GGADMN Cc1cccc(C2(O)CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)c1C ZINC000737388008 599145542 /nfs/dbraw/zinc/14/55/42/599145542.db2.gz DGAJNEYMKARQBR-UHFFFAOYSA-N 0 1 381.455 3.106 20 0 GGADMN CC[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736348976 599145800 /nfs/dbraw/zinc/14/58/00/599145800.db2.gz CKCRSQAQMDHLEA-INIZCTEOSA-N 0 1 398.898 3.412 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818113981 596914621 /nfs/dbraw/zinc/91/46/21/596914621.db2.gz VUAXBSSVLHXUDX-QFBILLFUSA-N 0 1 381.476 3.346 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC(C(=O)[O-])CC3)cs2)c1 ZINC000818885321 596917537 /nfs/dbraw/zinc/91/75/37/596917537.db2.gz ISMPYBWDNBLOGV-UHFFFAOYSA-N 0 1 387.505 3.238 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000818090166 596918228 /nfs/dbraw/zinc/91/82/28/596918228.db2.gz VVZZAHCIEMDIFY-VQIMIIECSA-N 0 1 381.476 3.488 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000818090134 596918516 /nfs/dbraw/zinc/91/85/16/596918516.db2.gz SYCIVZHYCDFWAC-JXFKEZNVSA-N 0 1 381.476 3.488 20 0 GGADMN O=C([O-])C[C@@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000819351382 597061333 /nfs/dbraw/zinc/06/13/33/597061333.db2.gz FPSRQRHXSAFQPD-UMQXSMKFSA-N 0 1 385.508 3.078 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000533202972 597083182 /nfs/dbraw/zinc/08/31/82/597083182.db2.gz AWWOUZINSSHBTJ-IRXDYDNUSA-N 0 1 384.480 3.003 20 0 GGADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000533202892 597085754 /nfs/dbraw/zinc/08/57/54/597085754.db2.gz UASOFBXJQCFCKW-VLIAUNLRSA-N 0 1 390.480 3.280 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)[C@@H]1c1cccs1 ZINC000818478225 597122962 /nfs/dbraw/zinc/12/29/62/597122962.db2.gz HMLNXNJQGLFGEK-HDMKZQKVSA-N 0 1 379.526 3.027 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818413314 597185329 /nfs/dbraw/zinc/18/53/29/597185329.db2.gz MZVDWPWLJCJQPR-IBGZPJMESA-N 0 1 381.476 3.300 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000737951075 597199303 /nfs/dbraw/zinc/19/93/03/597199303.db2.gz PVQGPTUDCOGNDH-KRWDZBQOSA-N 0 1 375.856 3.392 20 0 GGADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000738324347 597202777 /nfs/dbraw/zinc/20/27/77/597202777.db2.gz SBROKPGLJNVSIV-UHFFFAOYSA-N 0 1 381.476 3.362 20 0 GGADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000819617773 597321803 /nfs/dbraw/zinc/32/18/03/597321803.db2.gz BSJPHUVQJAIVJJ-LJQANCHMSA-N 0 1 381.476 3.490 20 0 GGADMN O=C(/C=C/C1CCCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737794379 599262162 /nfs/dbraw/zinc/26/21/62/599262162.db2.gz DPSIXEXMEXGGGI-FMIVXFBMSA-N 0 1 394.523 3.038 20 0 GGADMN CCN(c1ccc(NCc2cnc3ccc(-c4nn[nH]n4)cn23)cc1)C(C)C ZINC000821240546 607308103 /nfs/dbraw/zinc/30/81/03/607308103.db2.gz HJMSIKOBRZVNAL-UHFFFAOYSA-N 0 1 376.468 3.361 20 0 GGADMN C[NH+](C)CCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821587456 607313921 /nfs/dbraw/zinc/31/39/21/607313921.db2.gz YHTLYEXGPOYPQL-UHFFFAOYSA-N 0 1 378.889 3.134 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)N[C@H](C)C(=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000820025155 597712669 /nfs/dbraw/zinc/71/26/69/597712669.db2.gz XPVOMJJAQIZVRI-QAPCUYQASA-N 0 1 377.485 3.061 20 0 GGADMN C[N@H+]1CC[C@H](CNC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000635516194 598166991 /nfs/dbraw/zinc/16/69/91/598166991.db2.gz YTCRRUTVZFCHRE-CXAGYDPISA-N 0 1 385.867 3.026 20 0 GGADMN C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820129692 598212219 /nfs/dbraw/zinc/21/22/19/598212219.db2.gz ORWCOYCKKNYTNA-APWZRJJASA-N 0 1 381.476 3.346 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H](C)C2)c1-c1nn[nH]n1 ZINC000737204278 598254976 /nfs/dbraw/zinc/25/49/76/598254976.db2.gz YVFAFTCVLJGBOO-ZDUSSCGKSA-N 0 1 385.516 3.071 20 0 GGADMN CC(C)c1ccc(C(C)(C)[NH2+]Cc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC000735923018 598287572 /nfs/dbraw/zinc/28/75/72/598287572.db2.gz SBNYIWWQVNCQFI-UHFFFAOYSA-N 0 1 376.468 3.058 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2C)N2CCCC2)o1 ZINC000737320935 598292895 /nfs/dbraw/zinc/29/28/95/598292895.db2.gz RJGGWBJMDZAXSO-QGZVFWFLSA-N 0 1 395.467 3.035 20 0 GGADMN Fc1cc(-c2nn[nH]n2)ccc1CNCc1ccc(OCc2ccncc2)cc1 ZINC000737637790 598315128 /nfs/dbraw/zinc/31/51/28/598315128.db2.gz CUWGKMLPNDXSNP-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000737511717 598368959 /nfs/dbraw/zinc/36/89/59/598368959.db2.gz MPHVRJQXWXMDBH-CQSZACIVSA-N 0 1 396.886 3.152 20 0 GGADMN Clc1cccc(N2CCN(C/C=C/c3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000737573966 598493393 /nfs/dbraw/zinc/49/33/93/598493393.db2.gz ILUBNBJFSSTATI-VMPITWQZSA-N 0 1 380.883 3.356 20 0 GGADMN Cc1ccc(-c2nc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)cs2)o1 ZINC000737288141 598504234 /nfs/dbraw/zinc/50/42/34/598504234.db2.gz KNGULEBCFBQGIO-UHFFFAOYSA-N 0 1 390.428 3.255 20 0 GGADMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc2)cs1 ZINC000737463427 598513106 /nfs/dbraw/zinc/51/31/06/598513106.db2.gz RPPXKLNQNBBHIP-UHFFFAOYSA-N 0 1 398.473 3.099 20 0 GGADMN COc1cccc([C@@H](C)N2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)c1 ZINC000737122873 598672894 /nfs/dbraw/zinc/67/28/94/598672894.db2.gz XUVLURLSCJKEQT-CQSZACIVSA-N 0 1 398.898 3.412 20 0 GGADMN COc1ccc([C@H]2CCCN2Cc2ccc(F)cc2-c2nn[nH]n2)c(OC)c1 ZINC000737075687 598678651 /nfs/dbraw/zinc/67/86/51/598678651.db2.gz LOECZQXIIQWMSI-GOSISDBHSA-N 0 1 383.427 3.360 20 0 GGADMN C[C@H](OC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736156320 598739944 /nfs/dbraw/zinc/73/99/44/598739944.db2.gz UQZHHNCPOCNCCU-JTQLQIEISA-N 0 1 398.810 3.080 20 0 GGADMN CCCN(CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000736468408 598766148 /nfs/dbraw/zinc/76/61/48/598766148.db2.gz AXZINEDJVLRJOV-UHFFFAOYSA-N 0 1 385.516 3.213 20 0 GGADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000736196578 599307739 /nfs/dbraw/zinc/30/77/39/599307739.db2.gz KGUPDHTWAPYBNT-OAHLLOKOSA-N 0 1 382.899 3.399 20 0 GGADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000736198421 599309572 /nfs/dbraw/zinc/30/95/72/599309572.db2.gz IDBBGJDYUQFROE-AWEZNQCLSA-N 0 1 391.504 3.360 20 0 GGADMN CCN(C(=O)[C@H](C)N(C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736503386 599359791 /nfs/dbraw/zinc/35/97/91/599359791.db2.gz VTWLNBWDLKRYCE-SJORKVTESA-N 0 1 392.507 3.297 20 0 GGADMN C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820402037 599379376 /nfs/dbraw/zinc/37/93/76/599379376.db2.gz BYUOEJUIRJOYSH-VXGBXAGGSA-N 0 1 388.541 3.302 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736227262 599412144 /nfs/dbraw/zinc/41/21/44/599412144.db2.gz KODHGIVRYWPKMO-HZPDHXFCSA-N 0 1 377.496 3.352 20 0 GGADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736227262 599412145 /nfs/dbraw/zinc/41/21/45/599412145.db2.gz KODHGIVRYWPKMO-HZPDHXFCSA-N 0 1 377.496 3.352 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)C1CCCCC1 ZINC000819940280 599435487 /nfs/dbraw/zinc/43/54/87/599435487.db2.gz VPHMBZUYQHXJCZ-HNNXBMFYSA-N 0 1 390.488 3.023 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)C1CCCCC1 ZINC000819940280 599435489 /nfs/dbraw/zinc/43/54/89/599435489.db2.gz VPHMBZUYQHXJCZ-HNNXBMFYSA-N 0 1 390.488 3.023 20 0 GGADMN Fc1ccc(CNCc2cc(-c3nn[nH]n3)ccc2F)cc1Br ZINC000822772253 599457781 /nfs/dbraw/zinc/45/77/81/599457781.db2.gz UTCUEQLYFOBVIR-UHFFFAOYSA-N 0 1 380.196 3.197 20 0 GGADMN O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1sccc1-c1nn[n-]n1 ZINC000737843871 599478584 /nfs/dbraw/zinc/47/85/84/599478584.db2.gz NVLUGBPAKIUFSL-CQSZACIVSA-N 0 1 386.481 3.467 20 0 GGADMN O=C(CC[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1sccc1-c1nn[n-]n1 ZINC000737843871 599478587 /nfs/dbraw/zinc/47/85/87/599478587.db2.gz NVLUGBPAKIUFSL-CQSZACIVSA-N 0 1 386.481 3.467 20 0 GGADMN C[NH+](C)[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccc(F)cc1 ZINC000821581557 599485688 /nfs/dbraw/zinc/48/56/88/599485688.db2.gz OSZCYMULEUTUSK-IBGZPJMESA-N 0 1 377.427 3.269 20 0 GGADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)N1CCC[C@H](C)C1 ZINC000736265977 599506698 /nfs/dbraw/zinc/50/66/98/599506698.db2.gz MCNNTQUJXRJTJZ-QWHCGFSZSA-N 0 1 388.541 3.256 20 0 GGADMN CN(CCCCc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821599450 599564220 /nfs/dbraw/zinc/56/42/20/599564220.db2.gz VDFRVPASBHSNFI-UHFFFAOYSA-N 0 1 389.463 3.371 20 0 GGADMN C[N@@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1cccs1 ZINC000821623597 599582266 /nfs/dbraw/zinc/58/22/66/599582266.db2.gz NYTHUXFGNMBCHK-BZNIZROVSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1c1cccs1 ZINC000821623597 599582267 /nfs/dbraw/zinc/58/22/67/599582267.db2.gz NYTHUXFGNMBCHK-BZNIZROVSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623597 599582269 /nfs/dbraw/zinc/58/22/69/599582269.db2.gz NYTHUXFGNMBCHK-BZNIZROVSA-N 0 1 389.916 3.472 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623597 599582271 /nfs/dbraw/zinc/58/22/71/599582271.db2.gz NYTHUXFGNMBCHK-BZNIZROVSA-N 0 1 389.916 3.472 20 0 GGADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000820951277 599643681 /nfs/dbraw/zinc/64/36/81/599643681.db2.gz XHZPAVAQPNICDZ-HXPMCKFVSA-N 0 1 388.541 3.256 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc(NC(C)=O)c1)CC2 ZINC000737905789 599709759 /nfs/dbraw/zinc/70/97/59/599709759.db2.gz SFQXXHWJQPKAKT-LJQANCHMSA-N 0 1 398.459 3.236 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000736217900 599711417 /nfs/dbraw/zinc/71/14/17/599711417.db2.gz HZCOXORRQITYCZ-GOEBONIOSA-N 0 1 385.489 3.107 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)CC[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000248612269 599712682 /nfs/dbraw/zinc/71/26/82/599712682.db2.gz XVZJFJSNFKSVAA-KCXAZCMYSA-N 0 1 380.872 3.395 20 0 GGADMN C[N@@H+](CCc1cccc2ccccc21)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000566742608 599716237 /nfs/dbraw/zinc/71/62/37/599716237.db2.gz DFRKGUABWCESLW-HXUWFJFHSA-N 0 1 379.456 3.452 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000738887220 599718405 /nfs/dbraw/zinc/71/84/05/599718405.db2.gz LRRBEQUHXDAVCY-UHFFFAOYSA-N 0 1 384.371 3.126 20 0 GGADMN COc1c(C)cc(C[N@@H+](C)[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000573571845 599719939 /nfs/dbraw/zinc/71/99/39/599719939.db2.gz GXKQOEMKDHDSSW-MRXNPFEDSA-N 0 1 384.476 3.147 20 0 GGADMN C[N@@H+](CCC1CCCCC1)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737415851 599720259 /nfs/dbraw/zinc/72/02/59/599720259.db2.gz UDZWCWZLLRJMAI-FQEVSTJZSA-N 0 1 385.508 3.182 20 0 GGADMN O=C([O-])NCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000739960738 599722364 /nfs/dbraw/zinc/72/23/64/599722364.db2.gz ZHCLEDJJRUWLNI-QGZVFWFLSA-N 0 1 387.505 3.012 20 0 GGADMN O=C([O-])NCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000739960738 599722367 /nfs/dbraw/zinc/72/23/67/599722367.db2.gz ZHCLEDJJRUWLNI-QGZVFWFLSA-N 0 1 387.505 3.012 20 0 GGADMN CCCN(C(=O)CCCN(C)C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000737009088 599748286 /nfs/dbraw/zinc/74/82/86/599748286.db2.gz NRKOGCZTMPDXIP-IBGZPJMESA-N 0 1 375.513 3.280 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000737491906 599756577 /nfs/dbraw/zinc/75/65/77/599756577.db2.gz LYBGMKVPTWHNLT-UHFFFAOYSA-N 0 1 395.503 3.167 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739559900 599761623 /nfs/dbraw/zinc/76/16/23/599761623.db2.gz ISJJXCLOPLZALT-CQDKDKBSSA-N 0 1 378.270 3.315 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739559905 599761900 /nfs/dbraw/zinc/76/19/00/599761900.db2.gz ISJJXCLOPLZALT-GLQYFDAESA-N 0 1 378.270 3.315 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000739559903 599761902 /nfs/dbraw/zinc/76/19/02/599761902.db2.gz ISJJXCLOPLZALT-DFBGVHRSSA-N 0 1 378.270 3.315 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1)C(C)C ZINC000737102367 599763914 /nfs/dbraw/zinc/76/39/14/599763914.db2.gz XZKUAHMGUVDQQL-HXUWFJFHSA-N 0 1 384.476 3.481 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)CCN(C)c2ccccc2)c(C(=O)[O-])c1C ZINC000738993119 599764021 /nfs/dbraw/zinc/76/40/21/599764021.db2.gz NVTWLHDEENLEOY-UHFFFAOYSA-N 0 1 375.494 3.070 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)CCN(C)c2ccccc2)c(C(=O)[O-])c1C ZINC000738993119 599764022 /nfs/dbraw/zinc/76/40/22/599764022.db2.gz NVTWLHDEENLEOY-UHFFFAOYSA-N 0 1 375.494 3.070 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738129546 599774228 /nfs/dbraw/zinc/77/42/28/599774228.db2.gz QLXAMWVJJBKFNB-SFHVURJKSA-N 0 1 383.448 3.238 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738129546 599774229 /nfs/dbraw/zinc/77/42/29/599774229.db2.gz QLXAMWVJJBKFNB-SFHVURJKSA-N 0 1 383.448 3.238 20 0 GGADMN CCc1[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1C(=O)[O-] ZINC000737243041 599776309 /nfs/dbraw/zinc/77/63/09/599776309.db2.gz VJKABKBZDUXAJY-UHFFFAOYSA-N 0 1 383.492 3.320 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1Cl ZINC000737358708 599793737 /nfs/dbraw/zinc/79/37/37/599793737.db2.gz OETMNOJLHYVWJJ-IBGZPJMESA-N 0 1 399.878 3.412 20 0 GGADMN Cc1cccc2c1CC[N@H+](CC1=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N1C)C2 ZINC000738748263 599794473 /nfs/dbraw/zinc/79/44/73/599794473.db2.gz RHZGWZUHJNTGLY-NRFANRHFSA-N 0 1 391.471 3.088 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000736789928 599808765 /nfs/dbraw/zinc/80/87/65/599808765.db2.gz RSXDOJFBYYABLE-QGZVFWFLSA-N 0 1 388.508 3.267 20 0 GGADMN COc1ccc2ccccc2c1C[N@@H+](CC(=O)NCCC(=O)[O-])C1CCCC1 ZINC000738080098 599811151 /nfs/dbraw/zinc/81/11/51/599811151.db2.gz WBSPZNSCUMYKDL-UHFFFAOYSA-N 0 1 384.476 3.184 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000739754491 599823006 /nfs/dbraw/zinc/82/30/06/599823006.db2.gz SOHLXDLURZGWCD-KRWDZBQOSA-N 0 1 377.510 3.097 20 0 GGADMN O=C([O-])CCSCc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000739754492 599823064 /nfs/dbraw/zinc/82/30/64/599823064.db2.gz SOHLXDLURZGWCD-QGZVFWFLSA-N 0 1 377.510 3.097 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000738598858 599827697 /nfs/dbraw/zinc/82/76/97/599827697.db2.gz NJCAGQKBHJOHLL-UHFFFAOYSA-N 0 1 381.476 3.096 20 0 GGADMN O=C([O-])CCc1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000738599311 599828593 /nfs/dbraw/zinc/82/85/93/599828593.db2.gz RTCMUMFMSBUGLF-UHFFFAOYSA-N 0 1 381.476 3.274 20 0 GGADMN Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)c1 ZINC000738707695 599828629 /nfs/dbraw/zinc/82/86/29/599828629.db2.gz CGDGZGPUNCXKKU-UHFFFAOYSA-N 0 1 381.476 3.362 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000737491941 599832635 /nfs/dbraw/zinc/83/26/35/599832635.db2.gz MIFCUELVVIJNJG-HXUWFJFHSA-N 0 1 381.476 3.191 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812956 599838325 /nfs/dbraw/zinc/83/83/25/599838325.db2.gz XMINKDWQVLFPSQ-IYBDPMFKSA-N 0 1 382.460 3.271 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812956 599838327 /nfs/dbraw/zinc/83/83/27/599838327.db2.gz XMINKDWQVLFPSQ-IYBDPMFKSA-N 0 1 382.460 3.271 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736812951 599838334 /nfs/dbraw/zinc/83/83/34/599838334.db2.gz XMINKDWQVLFPSQ-HZPDHXFCSA-N 0 1 382.460 3.271 20 0 GGADMN C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736586576 599855800 /nfs/dbraw/zinc/85/58/00/599855800.db2.gz NZPKXPPZLRYGND-QGZVFWFLSA-N 0 1 386.467 3.247 20 0 GGADMN C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737393890 599855947 /nfs/dbraw/zinc/85/59/47/599855947.db2.gz SIMGPRXWHUXSIV-LJQANCHMSA-N 0 1 395.484 3.179 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000737393890 599855948 /nfs/dbraw/zinc/85/59/48/599855948.db2.gz SIMGPRXWHUXSIV-LJQANCHMSA-N 0 1 395.484 3.179 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736789425 599865382 /nfs/dbraw/zinc/86/53/82/599865382.db2.gz NAGKJWJVTXFKAZ-LPHOPBHVSA-N 0 1 388.512 3.003 20 0 GGADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000739795892 599866854 /nfs/dbraw/zinc/86/68/54/599866854.db2.gz VORJDOPWINBMKY-UHFFFAOYSA-N 0 1 383.778 3.476 20 0 GGADMN CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000737028413 599867265 /nfs/dbraw/zinc/86/72/65/599867265.db2.gz SKZUWVGGANCZPE-CYBMUJFWSA-N 0 1 380.510 3.155 20 0 GGADMN CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000737028413 599867266 /nfs/dbraw/zinc/86/72/66/599867266.db2.gz SKZUWVGGANCZPE-CYBMUJFWSA-N 0 1 380.510 3.155 20 0 GGADMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739640305 599893779 /nfs/dbraw/zinc/89/37/79/599893779.db2.gz YDKATFRFVQRTMW-LBPRGKRZSA-N 0 1 379.254 3.051 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000736365124 599908276 /nfs/dbraw/zinc/90/82/76/599908276.db2.gz PWYFVTKVOZACCG-FQEVSTJZSA-N 0 1 395.503 3.212 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1cccc(F)c1 ZINC000739498367 599940987 /nfs/dbraw/zinc/94/09/87/599940987.db2.gz LMZBITOITRAUSE-WOJBJXKFSA-N 0 1 398.478 3.097 20 0 GGADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1cccc(F)c1 ZINC000739498363 599941054 /nfs/dbraw/zinc/94/10/54/599941054.db2.gz LMZBITOITRAUSE-UXHICEINSA-N 0 1 398.478 3.097 20 0 GGADMN C[C@H](C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CC1)C(=O)[O-] ZINC000736577618 599948703 /nfs/dbraw/zinc/94/87/03/599948703.db2.gz FALZHBRBSRQDMZ-SNVBAGLBSA-N 0 1 387.249 3.102 20 0 GGADMN C[C@H](C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000736579241 599950271 /nfs/dbraw/zinc/95/02/71/599950271.db2.gz RWGNMSWXNDQEGB-YJYMSZOUSA-N 0 1 390.480 3.278 20 0 GGADMN O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000739660284 599952093 /nfs/dbraw/zinc/95/20/93/599952093.db2.gz WOZXRBHKVWLGSV-WOJBJXKFSA-N 0 1 381.476 3.016 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)CC2)cs1 ZINC000738348035 599954830 /nfs/dbraw/zinc/95/48/30/599954830.db2.gz FBMCFBPGOQSGBN-UHFFFAOYSA-N 0 1 388.493 3.416 20 0 GGADMN CN(C)c1cc2c(nn1)CC[N@H+](Cc1c(C(=O)[O-])sc3cccc(F)c31)C2 ZINC000737374470 599955545 /nfs/dbraw/zinc/95/55/45/599955545.db2.gz QXZJUGRUKKLRQC-UHFFFAOYSA-N 0 1 386.452 3.153 20 0 GGADMN CN(C)c1cc2c(nn1)CC[N@@H+](Cc1c(C(=O)[O-])sc3cccc(F)c31)C2 ZINC000737374470 599955547 /nfs/dbraw/zinc/95/55/47/599955547.db2.gz QXZJUGRUKKLRQC-UHFFFAOYSA-N 0 1 386.452 3.153 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000737454612 599956469 /nfs/dbraw/zinc/95/64/69/599956469.db2.gz WPKAOHFEHBUOFH-CQSZACIVSA-N 0 1 382.489 3.490 20 0 GGADMN C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000737454610 599956745 /nfs/dbraw/zinc/95/67/45/599956745.db2.gz WPKAOHFEHBUOFH-AWEZNQCLSA-N 0 1 382.489 3.490 20 0 GGADMN C[C@@H](O)C[N@@H+](C)C1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000736677030 599964915 /nfs/dbraw/zinc/96/49/15/599964915.db2.gz KOWNIWFYPBIADJ-GFCCVEGCSA-N 0 1 380.485 3.016 20 0 GGADMN COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1Br ZINC000321091025 599966664 /nfs/dbraw/zinc/96/66/64/599966664.db2.gz KAWNDAMAKAZJCH-INIZCTEOSA-N 0 1 376.250 3.469 20 0 GGADMN COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1Br ZINC000321091025 599966665 /nfs/dbraw/zinc/96/66/65/599966665.db2.gz KAWNDAMAKAZJCH-INIZCTEOSA-N 0 1 376.250 3.469 20 0 GGADMN CC[C@H]1CN(CCn2cccn2)CC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942903 599968373 /nfs/dbraw/zinc/96/83/73/599968373.db2.gz GIPZBHPVHUPYEE-INIZCTEOSA-N 0 1 398.532 3.392 20 0 GGADMN CC[C@H]1C[N@H+](CCn2cccn2)CCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942903 599968374 /nfs/dbraw/zinc/96/83/74/599968374.db2.gz GIPZBHPVHUPYEE-INIZCTEOSA-N 0 1 398.532 3.392 20 0 GGADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942903 599968375 /nfs/dbraw/zinc/96/83/75/599968375.db2.gz GIPZBHPVHUPYEE-INIZCTEOSA-N 0 1 398.532 3.392 20 0 GGADMN CC[C@@H]1CN(CCn2cccn2)CC[N@H+]1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942904 599968501 /nfs/dbraw/zinc/96/85/01/599968501.db2.gz GIPZBHPVHUPYEE-MRXNPFEDSA-N 0 1 398.532 3.392 20 0 GGADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942904 599968503 /nfs/dbraw/zinc/96/85/03/599968503.db2.gz GIPZBHPVHUPYEE-MRXNPFEDSA-N 0 1 398.532 3.392 20 0 GGADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000736942904 599968505 /nfs/dbraw/zinc/96/85/05/599968505.db2.gz GIPZBHPVHUPYEE-MRXNPFEDSA-N 0 1 398.532 3.392 20 0 GGADMN CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737284364 599976118 /nfs/dbraw/zinc/97/61/18/599976118.db2.gz HXVRTKXFRHVVNW-WBVHZDCISA-N 0 1 384.480 3.116 20 0 GGADMN Cc1cc(C)n([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370809 599976759 /nfs/dbraw/zinc/97/67/59/599976759.db2.gz UOBVVFSGYSBLIT-WMZOPIPTSA-N 0 1 384.480 3.171 20 0 GGADMN Cc1cc(C)n([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738370809 599976761 /nfs/dbraw/zinc/97/67/61/599976761.db2.gz UOBVVFSGYSBLIT-WMZOPIPTSA-N 0 1 384.480 3.171 20 0 GGADMN CC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000737108612 599977396 /nfs/dbraw/zinc/97/73/96/599977396.db2.gz XSAMZGQKTUDGEY-CQSZACIVSA-N 0 1 395.459 3.495 20 0 GGADMN COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738127473 599992899 /nfs/dbraw/zinc/99/28/99/599992899.db2.gz KMNUJKAFPOLPFH-YLJYHZDGSA-N 0 1 385.460 3.360 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737115379 599993293 /nfs/dbraw/zinc/99/32/93/599993293.db2.gz OPOPQODAGTXBHA-IBGZPJMESA-N 0 1 382.464 3.298 20 0 GGADMN COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000737933615 600002477 /nfs/dbraw/zinc/00/24/77/600002477.db2.gz QRSONVRWZPZLBA-HUUCEWRRSA-N 0 1 398.459 3.255 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000739272856 600005157 /nfs/dbraw/zinc/00/51/57/600005157.db2.gz GDSBQAHRFCACQY-BPNCWPANSA-N 0 1 377.441 3.092 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000737389679 600012080 /nfs/dbraw/zinc/01/20/80/600012080.db2.gz PRHXKYYUTRETBD-LEWJYISDSA-N 0 1 378.472 3.034 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000737389688 600012281 /nfs/dbraw/zinc/01/22/81/600012281.db2.gz PRHXKYYUTRETBD-SFTDATJTSA-N 0 1 378.472 3.034 20 0 GGADMN C[NH+](C)[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000737358060 600013210 /nfs/dbraw/zinc/01/32/10/600013210.db2.gz HNGBOIJCXWTYRZ-GOSISDBHSA-N 0 1 387.867 3.366 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)cc2)C1 ZINC000262986748 600014494 /nfs/dbraw/zinc/01/44/94/600014494.db2.gz LKPRKQPCBKRSAM-DZIBYMRMSA-N 0 1 387.524 3.361 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)cc2)C1 ZINC000262986751 600014587 /nfs/dbraw/zinc/01/45/87/600014587.db2.gz LKPRKQPCBKRSAM-PBPGXSGUSA-N 0 1 387.524 3.361 20 0 GGADMN CC[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000736903968 600015848 /nfs/dbraw/zinc/01/58/48/600015848.db2.gz DSALXOOHPGUYKS-OAQYLSRUSA-N 0 1 393.487 3.247 20 0 GGADMN CC(C)(CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000736322284 600016894 /nfs/dbraw/zinc/01/68/94/600016894.db2.gz UYLLZUCMDMDJFL-UHFFFAOYSA-N 0 1 393.487 3.247 20 0 GGADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736722303 600018703 /nfs/dbraw/zinc/01/87/03/600018703.db2.gz BUNXSLXPJYJLCQ-QRWLVFNGSA-N 0 1 379.460 3.246 20 0 GGADMN Cc1oc(CN(C)C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1C(=O)[O-] ZINC000738966669 600019340 /nfs/dbraw/zinc/01/93/40/600019340.db2.gz BKOPUHREVPOHNL-KRWDZBQOSA-N 0 1 391.512 3.472 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC000738887243 600020173 /nfs/dbraw/zinc/02/01/73/600020173.db2.gz MQCIXNOAWZLQTG-UHFFFAOYSA-N 0 1 394.406 3.243 20 0 GGADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)C2 ZINC000740201859 600021922 /nfs/dbraw/zinc/02/19/22/600021922.db2.gz GFPMOPAILWMGIK-HNNXBMFYSA-N 0 1 399.516 3.384 20 0 GGADMN CC[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000236954705 600038358 /nfs/dbraw/zinc/03/83/58/600038358.db2.gz RGCIUYUZTUICNO-OAQYLSRUSA-N 0 1 380.488 3.271 20 0 GGADMN COc1ccc(CC[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000581731850 600044157 /nfs/dbraw/zinc/04/41/57/600044157.db2.gz RRPVYIDSYKTDSP-IBGZPJMESA-N 0 1 385.460 3.329 20 0 GGADMN C[C@H]([NH2+]CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1Cl ZINC000736660758 600045651 /nfs/dbraw/zinc/04/56/51/600045651.db2.gz BIRAIYAKSGZJGB-ORAYPTAESA-N 0 1 399.878 3.284 20 0 GGADMN NC(=O)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000739152376 600045902 /nfs/dbraw/zinc/04/59/02/600045902.db2.gz GSXWBYBPYCZEOZ-IBGZPJMESA-N 0 1 389.455 3.440 20 0 GGADMN NC(=O)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000739152376 600045903 /nfs/dbraw/zinc/04/59/03/600045903.db2.gz GSXWBYBPYCZEOZ-IBGZPJMESA-N 0 1 389.455 3.440 20 0 GGADMN C[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000737393714 600045931 /nfs/dbraw/zinc/04/59/31/600045931.db2.gz OFFRQRUTKXGUHV-IBGZPJMESA-N 0 1 399.878 3.065 20 0 GGADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000737393714 600045935 /nfs/dbraw/zinc/04/59/35/600045935.db2.gz OFFRQRUTKXGUHV-IBGZPJMESA-N 0 1 399.878 3.065 20 0 GGADMN NC(=O)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000739152378 600046035 /nfs/dbraw/zinc/04/60/35/600046035.db2.gz GSXWBYBPYCZEOZ-LJQANCHMSA-N 0 1 389.455 3.440 20 0 GGADMN NC(=O)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000739152378 600046037 /nfs/dbraw/zinc/04/60/37/600046037.db2.gz GSXWBYBPYCZEOZ-LJQANCHMSA-N 0 1 389.455 3.440 20 0 GGADMN C[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccc2ccccc2c1 ZINC000737389878 600046336 /nfs/dbraw/zinc/04/63/36/600046336.db2.gz ROIDSVYECLQIID-JOCHJYFZSA-N 0 1 388.467 3.310 20 0 GGADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccc2ccccc2c1 ZINC000737389878 600046337 /nfs/dbraw/zinc/04/63/37/600046337.db2.gz ROIDSVYECLQIID-JOCHJYFZSA-N 0 1 388.467 3.310 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878867 600047327 /nfs/dbraw/zinc/04/73/27/600047327.db2.gz NOMMYJXQPIBWAI-SUNYJGFJSA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878867 600047330 /nfs/dbraw/zinc/04/73/30/600047330.db2.gz NOMMYJXQPIBWAI-SUNYJGFJSA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878862 600047615 /nfs/dbraw/zinc/04/76/15/600047615.db2.gz NOMMYJXQPIBWAI-IYOUNJFTSA-N 0 1 389.521 3.091 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000736878862 600047619 /nfs/dbraw/zinc/04/76/19/600047619.db2.gz NOMMYJXQPIBWAI-IYOUNJFTSA-N 0 1 389.521 3.091 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000737975081 600048348 /nfs/dbraw/zinc/04/83/48/600048348.db2.gz FWQMSSZYOXQFLC-LLVKDONJSA-N 0 1 387.461 3.159 20 0 GGADMN Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])c1 ZINC000738703713 600062111 /nfs/dbraw/zinc/06/21/11/600062111.db2.gz NWMGSRCTZCJDNS-VXKWHMMOSA-N 0 1 394.515 3.267 20 0 GGADMN O=C([O-])c1ccc(CCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000739256972 600067149 /nfs/dbraw/zinc/06/71/49/600067149.db2.gz UELAIZRWOBJQNX-QGZVFWFLSA-N 0 1 386.517 3.407 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738093134 600069213 /nfs/dbraw/zinc/06/92/13/600069213.db2.gz VSONXWJRKAMWRZ-KRWDZBQOSA-N 0 1 396.487 3.231 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)cs1 ZINC000738855174 600070245 /nfs/dbraw/zinc/07/02/45/600070245.db2.gz MJGCDMLDKIPBDO-UHFFFAOYSA-N 0 1 387.505 3.319 20 0 GGADMN COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c(C(=O)[O-])c1 ZINC000738027469 600071983 /nfs/dbraw/zinc/07/19/83/600071983.db2.gz XIBKNHUPLHUSPV-HNNXBMFYSA-N 0 1 386.423 3.383 20 0 GGADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000739408156 600077792 /nfs/dbraw/zinc/07/77/92/600077792.db2.gz VXQLIDNTLDRNMM-CYBMUJFWSA-N 0 1 375.400 3.151 20 0 GGADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)o1 ZINC000739407087 600078026 /nfs/dbraw/zinc/07/80/26/600078026.db2.gz NNUWDEVJFYIAIK-ZDUSSCGKSA-N 0 1 375.400 3.151 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000738382439 600078106 /nfs/dbraw/zinc/07/81/06/600078106.db2.gz IBLKFKHTIMUZHK-AWEZNQCLSA-N 0 1 389.427 3.459 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(c3nc(Cl)c(C(=O)[O-])s3)CC2)c1 ZINC000738089253 600079717 /nfs/dbraw/zinc/07/97/17/600079717.db2.gz CRADRIBGOMMMTM-NSHDSACASA-N 0 1 381.885 3.387 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(C/C=C\C[N@@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703320 600080772 /nfs/dbraw/zinc/08/07/72/600080772.db2.gz VOKBBFQCAZFPEK-IHWYPQMZSA-N 0 1 392.455 3.059 20 0 GGADMN COC(=O)c1ccc2c(c1)CN(C/C=C\C[N@H+]1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703320 600080775 /nfs/dbraw/zinc/08/07/75/600080775.db2.gz VOKBBFQCAZFPEK-IHWYPQMZSA-N 0 1 392.455 3.059 20 0 GGADMN CCC[N@@H+]1Cc2cccc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)[O-])c2C1 ZINC000737030220 600091011 /nfs/dbraw/zinc/09/10/11/600091011.db2.gz NMEGSUAWLNZHQS-UHFFFAOYSA-N 0 1 383.448 3.131 20 0 GGADMN CCC[N@H+]1Cc2cccc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)[O-])c2C1 ZINC000737030220 600091013 /nfs/dbraw/zinc/09/10/13/600091013.db2.gz NMEGSUAWLNZHQS-UHFFFAOYSA-N 0 1 383.448 3.131 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Br)cc1 ZINC000739723043 600091490 /nfs/dbraw/zinc/09/14/90/600091490.db2.gz CNGQVVLTWRCOHQ-KRWDZBQOSA-N 0 1 378.266 3.459 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)nc2c1 ZINC000740187693 600092840 /nfs/dbraw/zinc/09/28/40/600092840.db2.gz GLKFOWMUNPAATH-AZUAARDMSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)nc2c1 ZINC000740187693 600092843 /nfs/dbraw/zinc/09/28/43/600092843.db2.gz GLKFOWMUNPAATH-AZUAARDMSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)nc2c1 ZINC000740187694 600093126 /nfs/dbraw/zinc/09/31/26/600093126.db2.gz GLKFOWMUNPAATH-ICSRJNTNSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)nc2c1 ZINC000740187694 600093129 /nfs/dbraw/zinc/09/31/29/600093129.db2.gz GLKFOWMUNPAATH-ICSRJNTNSA-N 0 1 393.443 3.122 20 0 GGADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000739471633 600099612 /nfs/dbraw/zinc/09/96/12/600099612.db2.gz OHDVXWRBQNEFIA-MRXNPFEDSA-N 0 1 375.375 3.059 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000739245352 600101310 /nfs/dbraw/zinc/10/13/10/600101310.db2.gz ZXXHQEYWJBSLBE-QGZVFWFLSA-N 0 1 380.444 3.043 20 0 GGADMN COc1cccc([C@H](C)N2CC[NH+](CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738091573 600105257 /nfs/dbraw/zinc/10/52/57/600105257.db2.gz KBKABAAOXLKJKG-KRWDZBQOSA-N 0 1 384.476 3.151 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738091573 600105258 /nfs/dbraw/zinc/10/52/58/600105258.db2.gz KBKABAAOXLKJKG-KRWDZBQOSA-N 0 1 384.476 3.151 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736951581 600105572 /nfs/dbraw/zinc/10/55/72/600105572.db2.gz WLOMDJAYVLVKOL-QZTJIDSGSA-N 0 1 384.501 3.095 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736951581 600105574 /nfs/dbraw/zinc/10/55/74/600105574.db2.gz WLOMDJAYVLVKOL-QZTJIDSGSA-N 0 1 384.501 3.095 20 0 GGADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000659754915 600120673 /nfs/dbraw/zinc/12/06/73/600120673.db2.gz BXHWVCPTRIXNPY-UHFFFAOYSA-N 0 1 396.487 3.134 20 0 GGADMN CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736474538 600123618 /nfs/dbraw/zinc/12/36/18/600123618.db2.gz MCKBDUOLCPICQL-UHFFFAOYSA-N 0 1 379.526 3.343 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000739277848 600128680 /nfs/dbraw/zinc/12/86/80/600128680.db2.gz JFCIDEZUYMILIA-MRXNPFEDSA-N 0 1 385.489 3.109 20 0 GGADMN CCc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000737259848 600128820 /nfs/dbraw/zinc/12/88/20/600128820.db2.gz ZCPJKWCKVNMHEC-XLIONFOSSA-N 0 1 386.517 3.313 20 0 GGADMN CC[C@@]([NH2+]CC(=O)Nc1ccccc1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC000736915924 600129963 /nfs/dbraw/zinc/12/99/63/600129963.db2.gz GDKZMVUUVMIKJD-IBGZPJMESA-N 0 1 378.375 3.206 20 0 GGADMN C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736219134 600132522 /nfs/dbraw/zinc/13/25/22/600132522.db2.gz WQEODKGMPZGDPQ-HUUCEWRRSA-N 0 1 388.464 3.242 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262701506 600134112 /nfs/dbraw/zinc/13/41/12/600134112.db2.gz ZDLMSPAISROUDR-SJLPKXTDSA-N 0 1 382.460 3.389 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736219330 600136506 /nfs/dbraw/zinc/13/65/06/600136506.db2.gz ONZVWGCVPILKGN-ZYHUDNBSSA-N 0 1 395.431 3.212 20 0 GGADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736219330 600136508 /nfs/dbraw/zinc/13/65/08/600136508.db2.gz ONZVWGCVPILKGN-ZYHUDNBSSA-N 0 1 395.431 3.212 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCCc2sccc2C1 ZINC000737505297 600138416 /nfs/dbraw/zinc/13/84/16/600138416.db2.gz HRJWOZDJXMBHGK-IBGZPJMESA-N 0 1 397.500 3.231 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)oc1ccccc12 ZINC000263561521 600138666 /nfs/dbraw/zinc/13/86/66/600138666.db2.gz CEUVCXOUBCXHIK-CYBMUJFWSA-N 0 1 382.416 3.330 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)oc1ccccc12 ZINC000263561521 600138668 /nfs/dbraw/zinc/13/86/68/600138668.db2.gz CEUVCXOUBCXHIK-CYBMUJFWSA-N 0 1 382.416 3.330 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000463345444 600138803 /nfs/dbraw/zinc/13/88/03/600138803.db2.gz PHHDUUSCTNNVQN-XLIONFOSSA-N 0 1 386.879 3.342 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263574172 600140675 /nfs/dbraw/zinc/14/06/75/600140675.db2.gz NJEXPFHGHZAPPE-NVXWUHKLSA-N 0 1 380.444 3.041 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263574172 600140677 /nfs/dbraw/zinc/14/06/77/600140677.db2.gz NJEXPFHGHZAPPE-NVXWUHKLSA-N 0 1 380.444 3.041 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000740057178 600141069 /nfs/dbraw/zinc/14/10/69/600141069.db2.gz SWXPFGSYBDZNJG-MOPGFXCFSA-N 0 1 397.862 3.213 20 0 GGADMN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000740057178 600141070 /nfs/dbraw/zinc/14/10/70/600141070.db2.gz SWXPFGSYBDZNJG-MOPGFXCFSA-N 0 1 397.862 3.213 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263577830 600142166 /nfs/dbraw/zinc/14/21/66/600142166.db2.gz RXWYCHGSRZSIQQ-XLIONFOSSA-N 0 1 382.460 3.480 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736571682 600143448 /nfs/dbraw/zinc/14/34/48/600143448.db2.gz MTAVTAFCSNDXPU-IERDGZPVSA-N 0 1 393.487 3.015 20 0 GGADMN CCC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC000736965576 600154542 /nfs/dbraw/zinc/15/45/42/600154542.db2.gz WWSFPNIUOPIABB-AUUYWEPGSA-N 0 1 389.477 3.252 20 0 GGADMN CCC[C@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000736964283 600154597 /nfs/dbraw/zinc/15/45/97/600154597.db2.gz MJWXQIWCPPHLNF-LIRRHRJNSA-N 0 1 389.477 3.252 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000738554110 600155925 /nfs/dbraw/zinc/15/59/25/600155925.db2.gz ILBOVOUBVUPIRP-SFTDATJTSA-N 0 1 380.488 3.192 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554812 600161391 /nfs/dbraw/zinc/16/13/91/600161391.db2.gz VAFJNBBTWUCTEC-TZIWHRDSSA-N 0 1 398.478 3.331 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000738554809 600161430 /nfs/dbraw/zinc/16/14/30/600161430.db2.gz VAFJNBBTWUCTEC-CTNGQTDRSA-N 0 1 398.478 3.331 20 0 GGADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000738476476 600174722 /nfs/dbraw/zinc/17/47/22/600174722.db2.gz PGZPRXCTEFSMPI-GOSISDBHSA-N 0 1 376.840 3.353 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000737866459 600175579 /nfs/dbraw/zinc/17/55/79/600175579.db2.gz MUHIUCOZIUXVET-HNNXBMFYSA-N 0 1 397.830 3.058 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000737866459 600175581 /nfs/dbraw/zinc/17/55/81/600175581.db2.gz MUHIUCOZIUXVET-HNNXBMFYSA-N 0 1 397.830 3.058 20 0 GGADMN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc3ccccc3[nH]c2=O)cc(OC)c1 ZINC000737880901 600177869 /nfs/dbraw/zinc/17/78/69/600177869.db2.gz MASAOQKRVNVYDX-UHFFFAOYSA-N 0 1 382.416 3.044 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000737869203 600178761 /nfs/dbraw/zinc/17/87/61/600178761.db2.gz YGGIDDJWRDIULT-KFKAGJAMSA-N 0 1 385.460 3.011 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000737166716 600180642 /nfs/dbraw/zinc/18/06/42/600180642.db2.gz JLPAROXUISLXFH-SUMWQHHRSA-N 0 1 397.903 3.297 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)[C@@H](C)C1 ZINC000737166515 600182219 /nfs/dbraw/zinc/18/22/19/600182219.db2.gz FKRCFCFZUCBVBQ-MAUKXSAKSA-N 0 1 392.500 3.059 20 0 GGADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000737168782 600183544 /nfs/dbraw/zinc/18/35/44/600183544.db2.gz WQVQMUYKUVWLIC-XJKSGUPXSA-N 0 1 396.463 3.174 20 0 GGADMN CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313527 600193634 /nfs/dbraw/zinc/19/36/34/600193634.db2.gz KTWBRBYHQBJMPX-AZUAARDMSA-N 0 1 384.451 3.322 20 0 GGADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2F)CC1 ZINC000261944472 600199689 /nfs/dbraw/zinc/19/96/89/600199689.db2.gz OEIVJCFGGPSLBU-UHFFFAOYSA-N 0 1 389.402 3.057 20 0 GGADMN C[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737442005 600212571 /nfs/dbraw/zinc/21/25/71/600212571.db2.gz SZZYFIBWJQEZNQ-FQEVSTJZSA-N 0 1 396.468 3.106 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737408914 600212631 /nfs/dbraw/zinc/21/26/31/600212631.db2.gz QKAZIMCBAKEZEY-CZUORRHYSA-N 0 1 384.259 3.491 20 0 GGADMN C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737407569 600212695 /nfs/dbraw/zinc/21/26/95/600212695.db2.gz BZEUVLVQSNJPBD-WMLDXEAASA-N 0 1 384.259 3.491 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2)C[C@@H](C)O1 ZINC000736808868 600218268 /nfs/dbraw/zinc/21/82/68/600218268.db2.gz JWSACDBTIVRHAR-QINHECLXSA-N 0 1 394.471 3.124 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CCC(=O)Nc1ccc(Br)cc1F ZINC000736469010 600220923 /nfs/dbraw/zinc/22/09/23/600220923.db2.gz SNGNKLHMYXNCMZ-UHFFFAOYSA-N 0 1 375.238 3.102 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000736466348 600222358 /nfs/dbraw/zinc/22/23/58/600222358.db2.gz WNFHMIMYWPRIPK-HNNXBMFYSA-N 0 1 389.477 3.204 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000737862854 600225354 /nfs/dbraw/zinc/22/53/54/600225354.db2.gz AAQGWHIFHSTRKK-VQTJNVASSA-N 0 1 399.487 3.149 20 0 GGADMN Cc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000738383488 600232048 /nfs/dbraw/zinc/23/20/48/600232048.db2.gz UWPXYZUDLALEIV-GFCCVEGCSA-N 0 1 387.354 3.177 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000737869181 600232492 /nfs/dbraw/zinc/23/24/92/600232492.db2.gz YDEDBZJIWBWTLI-SJORKVTESA-N 0 1 379.497 3.281 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000739285628 600233234 /nfs/dbraw/zinc/23/32/34/600233234.db2.gz HXQWQLMHQUOPTE-MOPGFXCFSA-N 0 1 395.459 3.100 20 0 GGADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000739285628 600233237 /nfs/dbraw/zinc/23/32/37/600233237.db2.gz HXQWQLMHQUOPTE-MOPGFXCFSA-N 0 1 395.459 3.100 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736942783 600234720 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UIEMCTKWRHJMFI-CQSZACIVSA-N 0 1 381.407 3.237 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000740026019 600264434 /nfs/dbraw/zinc/26/44/34/600264434.db2.gz YQLUTFFQUSHQFO-KRWDZBQOSA-N 0 1 385.439 3.096 20 0 GGADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000740026021 600264609 /nfs/dbraw/zinc/26/46/09/600264609.db2.gz YQLUTFFQUSHQFO-QGZVFWFLSA-N 0 1 385.439 3.096 20 0 GGADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000739624196 600274746 /nfs/dbraw/zinc/27/47/46/600274746.db2.gz IURMSGHBNDBCII-OALUTQOASA-N 0 1 382.460 3.235 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000738253947 600278675 /nfs/dbraw/zinc/27/86/75/600278675.db2.gz VBLSVAXWTTYBOQ-UHFFFAOYSA-N 0 1 396.260 3.456 20 0 GGADMN COc1ccccc1-c1nn(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=S)o1 ZINC000738115683 600280567 /nfs/dbraw/zinc/28/05/67/600280567.db2.gz OFJRXXNKWKHFGU-CYBMUJFWSA-N 0 1 375.450 3.025 20 0 GGADMN CCOc1ccccc1-c1nn(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=S)o1 ZINC000737213350 600280687 /nfs/dbraw/zinc/28/06/87/600280687.db2.gz QYIIBDXIYYIQOY-CQSZACIVSA-N 0 1 389.477 3.415 20 0 GGADMN CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000737163999 600285745 /nfs/dbraw/zinc/28/57/45/600285745.db2.gz BCQMKFBMVIIZED-ZIAGYGMSSA-N 0 1 394.537 3.258 20 0 GGADMN CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000737163999 600285746 /nfs/dbraw/zinc/28/57/46/600285746.db2.gz BCQMKFBMVIIZED-ZIAGYGMSSA-N 0 1 394.537 3.258 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000736790142 600286032 /nfs/dbraw/zinc/28/60/32/600286032.db2.gz UHIGXIWIHSALJY-HZPDHXFCSA-N 0 1 398.507 3.120 20 0 GGADMN Cc1[nH]c(C(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c1C(=O)[O-] ZINC000738152785 600286978 /nfs/dbraw/zinc/28/69/78/600286978.db2.gz HNOPWYYXIROKQG-YOEHRIQHSA-N 0 1 375.513 3.099 20 0 GGADMN COc1ccc(OCc2nc(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)cs2)cc1 ZINC000738048397 600287798 /nfs/dbraw/zinc/28/77/98/600287798.db2.gz DMARESZACKIMLF-KRWDZBQOSA-N 0 1 388.489 3.417 20 0 GGADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000738888193 600289988 /nfs/dbraw/zinc/28/99/88/600289988.db2.gz ZYLHAYJFVFCOIC-UHFFFAOYSA-N 0 1 385.811 3.249 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000736810415 600291652 /nfs/dbraw/zinc/29/16/52/600291652.db2.gz OGNUHBHLJJEUAI-IYBDPMFKSA-N 0 1 397.475 3.316 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000736810415 600291656 /nfs/dbraw/zinc/29/16/56/600291656.db2.gz OGNUHBHLJJEUAI-IYBDPMFKSA-N 0 1 397.475 3.316 20 0 GGADMN C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCCC[C@H]4CC(=O)[O-])nc(N)c32)C1 ZINC000736803509 600292280 /nfs/dbraw/zinc/29/22/80/600292280.db2.gz WQHGSRYOJBZIMJ-STQMWFEESA-N 0 1 388.537 3.270 20 0 GGADMN CC(C)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccc(-c2ccccc2F)s1 ZINC000736463613 600293243 /nfs/dbraw/zinc/29/32/43/600293243.db2.gz SDPQEHWDUZWIFZ-UHFFFAOYSA-N 0 1 378.469 3.356 20 0 GGADMN CC(C)C[N@@H+](CCC(=O)[O-])CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000736432643 600293652 /nfs/dbraw/zinc/29/36/52/600293652.db2.gz RNHRNDZBEQQPNS-ZDUSSCGKSA-N 0 1 390.553 3.374 20 0 GGADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000736824085 600295249 /nfs/dbraw/zinc/29/52/49/600295249.db2.gz NGUFFRCAWHWYGL-OAHLLOKOSA-N 0 1 377.444 3.349 20 0 GGADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736942204 600295567 /nfs/dbraw/zinc/29/55/67/600295567.db2.gz RKFUZULMKHQRID-MRXNPFEDSA-N 0 1 398.507 3.198 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000739277844 600297435 /nfs/dbraw/zinc/29/74/35/600297435.db2.gz IZXHAIIUUSBFMA-LBPRGKRZSA-N 0 1 390.789 3.484 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737886207 600301411 /nfs/dbraw/zinc/30/14/11/600301411.db2.gz MCHCMTWYQBFMFQ-CHWSQXEVSA-N 0 1 380.872 3.171 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737886210 600301810 /nfs/dbraw/zinc/30/18/10/600301810.db2.gz MCHCMTWYQBFMFQ-STQMWFEESA-N 0 1 380.872 3.171 20 0 GGADMN CC[C@@]([NH2+]CC(=O)Nc1ccc(OC)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000736917108 600303062 /nfs/dbraw/zinc/30/30/62/600303062.db2.gz LWYSIXYPNWXBIN-IBGZPJMESA-N 0 1 376.840 3.267 20 0 GGADMN CC[C@]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736920601 600304739 /nfs/dbraw/zinc/30/47/39/600304739.db2.gz WIOYQXZBDRBYLU-OPAMFIHVSA-N 0 1 384.476 3.194 20 0 GGADMN CN(Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1)C(=O)[O-] ZINC000737477613 600305016 /nfs/dbraw/zinc/30/50/16/600305016.db2.gz IMCNAGXPLPJREB-GOSISDBHSA-N 0 1 382.464 3.042 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2 ZINC000581829920 600305935 /nfs/dbraw/zinc/30/59/35/600305935.db2.gz OZBKPELJPYAJHV-CYBMUJFWSA-N 0 1 381.354 3.442 20 0 GGADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736200979 600306096 /nfs/dbraw/zinc/30/60/96/600306096.db2.gz TXCDJHVMGJZJOH-GDBMZVCRSA-N 0 1 391.537 3.384 20 0 GGADMN O=C([O-])C1(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCCCC1 ZINC000739306758 600318536 /nfs/dbraw/zinc/31/85/36/600318536.db2.gz IZRRFBCZCBOZRV-FQEVSTJZSA-N 0 1 384.451 3.408 20 0 GGADMN C[C@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000736639905 600325529 /nfs/dbraw/zinc/32/55/29/600325529.db2.gz GWEYJXGNVSCMPA-ZDUSSCGKSA-N 0 1 394.393 3.258 20 0 GGADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000736639905 600325533 /nfs/dbraw/zinc/32/55/33/600325533.db2.gz GWEYJXGNVSCMPA-ZDUSSCGKSA-N 0 1 394.393 3.258 20 0 GGADMN O=C([O-])CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(F)c(F)c1 ZINC000739718181 600326646 /nfs/dbraw/zinc/32/66/46/600326646.db2.gz KYXDFHXLXNUYFK-UHFFFAOYSA-N 0 1 380.435 3.175 20 0 GGADMN O=C([O-])CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(F)c(F)c1 ZINC000739718181 600326648 /nfs/dbraw/zinc/32/66/48/600326648.db2.gz KYXDFHXLXNUYFK-UHFFFAOYSA-N 0 1 380.435 3.175 20 0 GGADMN CN(Cc1ccccc1F)C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737492266 600327970 /nfs/dbraw/zinc/32/79/70/600327970.db2.gz OBTBPDKMHZPCGC-UHFFFAOYSA-N 0 1 394.393 3.039 20 0 GGADMN CN(Cc1ccccc1F)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737492266 600327972 /nfs/dbraw/zinc/32/79/72/600327972.db2.gz OBTBPDKMHZPCGC-UHFFFAOYSA-N 0 1 394.393 3.039 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000736776004 600328250 /nfs/dbraw/zinc/32/82/50/600328250.db2.gz POGSYISVKYLEGO-LBTNJELSSA-N 0 1 382.451 3.182 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000736776004 600328253 /nfs/dbraw/zinc/32/82/53/600328253.db2.gz POGSYISVKYLEGO-LBTNJELSSA-N 0 1 382.451 3.182 20 0 GGADMN C[N@H+](Cc1ccc(F)cc1C(=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000580955425 600329499 /nfs/dbraw/zinc/32/94/99/600329499.db2.gz AXYBFZMKLGLZRY-KRWDZBQOSA-N 0 1 376.815 3.415 20 0 GGADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000580955425 600329502 /nfs/dbraw/zinc/32/95/02/600329502.db2.gz AXYBFZMKLGLZRY-KRWDZBQOSA-N 0 1 376.815 3.415 20 0 GGADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1ccccc1F)Cc1ccc(F)c(F)c1 ZINC000739725231 600329580 /nfs/dbraw/zinc/32/95/80/600329580.db2.gz WXGDCKJBZFKXHA-UHFFFAOYSA-N 0 1 380.366 3.409 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)c(C)c1C(=O)[O-] ZINC000738154473 600330852 /nfs/dbraw/zinc/33/08/52/600330852.db2.gz UJKYLMPBOQDZIB-UHFFFAOYSA-N 0 1 384.476 3.441 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000738461627 600330921 /nfs/dbraw/zinc/33/09/21/600330921.db2.gz UQTNYCHHZCMKBC-UHFFFAOYSA-N 0 1 382.460 3.252 20 0 GGADMN O=C([O-])c1sc2cccc(F)c2c1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000738712305 600335320 /nfs/dbraw/zinc/33/53/20/600335320.db2.gz BQKBFWDAMNDVEH-GFCCVEGCSA-N 0 1 376.453 3.325 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000739628364 600335361 /nfs/dbraw/zinc/33/53/61/600335361.db2.gz ZVPMNKGDVCNJHS-AYCSXLNKSA-N 0 1 380.897 3.021 20 0 GGADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000739286200 600338488 /nfs/dbraw/zinc/33/84/88/600338488.db2.gz QQTLUHOPSMLPOI-FQEVSTJZSA-N 0 1 397.519 3.326 20 0 GGADMN CCOCC[N@@H+]1CCN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@@H]1C ZINC000737177260 600339136 /nfs/dbraw/zinc/33/91/36/600339136.db2.gz VKXGDVDTBMOQCT-ZDUSSCGKSA-N 0 1 397.541 3.318 20 0 GGADMN CCOCC[N@H+]1CCN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@@H]1C ZINC000737177260 600339138 /nfs/dbraw/zinc/33/91/38/600339138.db2.gz VKXGDVDTBMOQCT-ZDUSSCGKSA-N 0 1 397.541 3.318 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2)C1 ZINC000736790998 600343036 /nfs/dbraw/zinc/34/30/36/600343036.db2.gz AQXSMVRTHLJUOR-XLIONFOSSA-N 0 1 399.535 3.315 20 0 GGADMN CN(Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000737483624 600343153 /nfs/dbraw/zinc/34/31/53/600343153.db2.gz RLBFCULAIHWASO-IBGZPJMESA-N 0 1 382.464 3.192 20 0 GGADMN CN(Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(=O)[O-] ZINC000737483626 600343373 /nfs/dbraw/zinc/34/33/73/600343373.db2.gz RLBFCULAIHWASO-LJQANCHMSA-N 0 1 382.464 3.192 20 0 GGADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736789212 600343416 /nfs/dbraw/zinc/34/34/16/600343416.db2.gz LEABKQUPHJGCNQ-XLIONFOSSA-N 0 1 399.535 3.457 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736789776 600343440 /nfs/dbraw/zinc/34/34/40/600343440.db2.gz RCZKXBGSTFXHBN-FXAWDEMLSA-N 0 1 399.535 3.457 20 0 GGADMN CN(Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000737482439 600344411 /nfs/dbraw/zinc/34/44/11/600344411.db2.gz MVMLHEBOCZJORF-UHFFFAOYSA-N 0 1 396.491 3.189 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000736598538 600348933 /nfs/dbraw/zinc/34/89/33/600348933.db2.gz LQNVIBCBCAYKSI-CYBMUJFWSA-N 0 1 388.493 3.084 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000736598538 600348938 /nfs/dbraw/zinc/34/89/38/600348938.db2.gz LQNVIBCBCAYKSI-CYBMUJFWSA-N 0 1 388.493 3.084 20 0 GGADMN O=C([O-])NCc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739988276 600351612 /nfs/dbraw/zinc/35/16/12/600351612.db2.gz PLIJJXKPISPYHC-LJQANCHMSA-N 0 1 396.491 3.488 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000736939509 600355609 /nfs/dbraw/zinc/35/56/09/600355609.db2.gz OOWMYANDDFABLB-INIZCTEOSA-N 0 1 375.513 3.127 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC000736941029 600358756 /nfs/dbraw/zinc/35/87/56/600358756.db2.gz VFKCEVSVKSVHMG-OAHLLOKOSA-N 0 1 391.512 3.093 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000736218330 600362841 /nfs/dbraw/zinc/36/28/41/600362841.db2.gz NKLVGERLAMMDHN-OAHLLOKOSA-N 0 1 384.501 3.390 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736218330 600362846 /nfs/dbraw/zinc/36/28/46/600362846.db2.gz NKLVGERLAMMDHN-OAHLLOKOSA-N 0 1 384.501 3.390 20 0 GGADMN C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C(=O)[O-] ZINC000263125827 600374157 /nfs/dbraw/zinc/37/41/57/600374157.db2.gz COZQVXMOKCKQFE-QFBILLFUSA-N 0 1 393.487 3.069 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC000736938197 600377060 /nfs/dbraw/zinc/37/70/60/600377060.db2.gz FRSYONYFPWPLNT-HNNXBMFYSA-N 0 1 377.485 3.172 20 0 GGADMN C[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000390516675 600379889 /nfs/dbraw/zinc/37/98/89/600379889.db2.gz DGBZIINEEWCTPE-GFCCVEGCSA-N 0 1 377.391 3.305 20 0 GGADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cccc(OCC(=O)[O-])c3)c2)C[C@@H](C)O1 ZINC000659759999 600380522 /nfs/dbraw/zinc/38/05/22/600380522.db2.gz XHUKQVNWXDAPRX-HZPDHXFCSA-N 0 1 398.459 3.012 20 0 GGADMN CCc1[nH]c(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c(C)c1C(=O)[O-] ZINC000737245941 600381124 /nfs/dbraw/zinc/38/11/24/600381124.db2.gz OOOWTYNLFWEESY-KBPBESRZSA-N 0 1 399.491 3.445 20 0 GGADMN CC[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736904227 600382071 /nfs/dbraw/zinc/38/20/71/600382071.db2.gz HREKKQZGARDVIS-QGZVFWFLSA-N 0 1 385.439 3.482 20 0 GGADMN CC[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000736904226 600382218 /nfs/dbraw/zinc/38/22/18/600382218.db2.gz HREKKQZGARDVIS-KRWDZBQOSA-N 0 1 385.439 3.482 20 0 GGADMN O=C([O-])c1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1F ZINC000739414003 600384606 /nfs/dbraw/zinc/38/46/06/600384606.db2.gz GMRIOWPNWOAHPV-MRXNPFEDSA-N 0 1 385.439 3.210 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000263579227 600392634 /nfs/dbraw/zinc/39/26/34/600392634.db2.gz UILMWKUTYWFSCL-INIZCTEOSA-N 0 1 383.366 3.275 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000739516043 600399986 /nfs/dbraw/zinc/39/99/86/600399986.db2.gz KENQAFNOYQGZLT-SFHVURJKSA-N 0 1 390.842 3.453 20 0 GGADMN Cc1nc(CN2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)oc1C ZINC000738859198 600407255 /nfs/dbraw/zinc/40/72/55/600407255.db2.gz VNHDXLWCVUZBCT-GOSISDBHSA-N 0 1 377.872 3.278 20 0 GGADMN C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccco1 ZINC000737359755 600408158 /nfs/dbraw/zinc/40/81/58/600408158.db2.gz VYEPTPOJMVUJOU-LBPRGKRZSA-N 0 1 383.351 3.004 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000736793687 600408219 /nfs/dbraw/zinc/40/82/19/600408219.db2.gz MBTHOBRNKSLRBA-VXGBXAGGSA-N 0 1 385.411 3.228 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000736793686 600408409 /nfs/dbraw/zinc/40/84/09/600408409.db2.gz MBTHOBRNKSLRBA-RYUDHWBXSA-N 0 1 385.411 3.228 20 0 GGADMN Cc1[nH]c(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c(C)c1C(=O)[O-] ZINC000738155162 600410078 /nfs/dbraw/zinc/41/00/78/600410078.db2.gz CTWINGJQBDRQED-STQMWFEESA-N 0 1 385.464 3.191 20 0 GGADMN O=C([O-])CC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCO1 ZINC000739724473 600410845 /nfs/dbraw/zinc/41/08/45/600410845.db2.gz ICPGMHIEONJBBU-YEBMWUKDSA-N 0 1 394.320 3.057 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](CC[S@](=O)c1cc(Cl)ccc1Cl)CC2 ZINC000739532092 600410964 /nfs/dbraw/zinc/41/09/64/600410964.db2.gz LKQZYTSVNVNDGA-MYODQAERSA-N 0 1 376.305 3.288 20 0 GGADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000740015377 600411945 /nfs/dbraw/zinc/41/19/45/600411945.db2.gz GUNAWQJFSUFCAB-IBGZPJMESA-N 0 1 399.516 3.225 20 0 GGADMN Cc1[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154300 600415004 /nfs/dbraw/zinc/41/50/04/600415004.db2.gz IHAKXFSSCFJVRR-KSSFIOAISA-N 0 1 383.492 3.455 20 0 GGADMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000736815765 600422032 /nfs/dbraw/zinc/42/20/32/600422032.db2.gz XDXYFSMDVRUBBB-ZOCZFRKYSA-N 0 1 386.467 3.350 20 0 GGADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000577111034 600423811 /nfs/dbraw/zinc/42/38/11/600423811.db2.gz SQUKEXHWBQCAKP-QGZVFWFLSA-N 0 1 392.377 3.408 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCOc2cccc(C(=O)[O-])c2)cn1 ZINC000737448954 600431958 /nfs/dbraw/zinc/43/19/58/600431958.db2.gz JSQNMZIFOGOHRJ-HXUWFJFHSA-N 0 1 383.423 3.358 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCOc2cccc(C(=O)[O-])c2)cn1 ZINC000737448954 600431959 /nfs/dbraw/zinc/43/19/59/600431959.db2.gz JSQNMZIFOGOHRJ-HXUWFJFHSA-N 0 1 383.423 3.358 20 0 GGADMN C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(F)cc1C(=O)[O-] ZINC000736569089 600433230 /nfs/dbraw/zinc/43/32/30/600433230.db2.gz NCBKKLLCNUWPEA-LLVKDONJSA-N 0 1 383.420 3.025 20 0 GGADMN O=C([O-])c1sc2cccc(F)c2c1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000738715159 600435958 /nfs/dbraw/zinc/43/59/58/600435958.db2.gz UFIAVCHXPDMTPM-AWEZNQCLSA-N 0 1 392.496 3.425 20 0 GGADMN O=C([O-])c1sc2cccc(F)c2c1C[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738715159 600435961 /nfs/dbraw/zinc/43/59/61/600435961.db2.gz UFIAVCHXPDMTPM-AWEZNQCLSA-N 0 1 392.496 3.425 20 0 GGADMN O=C([O-])c1sc2cccc(F)c2c1C[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738715159 600435963 /nfs/dbraw/zinc/43/59/63/600435963.db2.gz UFIAVCHXPDMTPM-AWEZNQCLSA-N 0 1 392.496 3.425 20 0 GGADMN C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736764555 600438881 /nfs/dbraw/zinc/43/88/81/600438881.db2.gz XASUQMNGLRQXAM-UTKZUKDTSA-N 0 1 395.503 3.308 20 0 GGADMN Cc1[nH]c(C(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738154907 600439074 /nfs/dbraw/zinc/43/90/74/600439074.db2.gz WHOVYZVIAJGEBH-DNVCBOLYSA-N 0 1 397.519 3.497 20 0 GGADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000736713762 600441925 /nfs/dbraw/zinc/44/19/25/600441925.db2.gz CQSPUNFXZYJNIU-DGCLKSJQSA-N 0 1 387.354 3.429 20 0 GGADMN Cc1ccc([C@H]2CCCCC[N@H+]2CCCN2C(=O)CS/C2=C\C(=O)[O-])o1 ZINC000738581877 600442759 /nfs/dbraw/zinc/44/27/59/600442759.db2.gz FHBXIJOOTFFGMY-PWDRBQJJSA-N 0 1 378.494 3.397 20 0 GGADMN COc1ccccc1[C@H]1CC[N@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000738129571 600443096 /nfs/dbraw/zinc/44/30/96/600443096.db2.gz QRHRVSPJIVZBGB-AWEZNQCLSA-N 0 1 379.416 3.032 20 0 GGADMN COc1ccccc1[C@H]1CC[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC000738129571 600443098 /nfs/dbraw/zinc/44/30/98/600443098.db2.gz QRHRVSPJIVZBGB-AWEZNQCLSA-N 0 1 379.416 3.032 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000736466223 600445449 /nfs/dbraw/zinc/44/54/49/600445449.db2.gz SJMDKWUPQIBBEG-NRFANRHFSA-N 0 1 386.517 3.407 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000737980173 600445458 /nfs/dbraw/zinc/44/54/58/600445458.db2.gz AQGDUJPTZKMVKK-IBGZPJMESA-N 0 1 376.497 3.324 20 0 GGADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000736465890 600445974 /nfs/dbraw/zinc/44/59/74/600445974.db2.gz NGRZAMFFTSQIIX-UHFFFAOYSA-N 0 1 389.477 3.124 20 0 GGADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000739536078 600447693 /nfs/dbraw/zinc/44/76/93/600447693.db2.gz CNNLVJKATXAXRC-SECBINFHSA-N 0 1 398.282 3.247 20 0 GGADMN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000739536079 600447724 /nfs/dbraw/zinc/44/77/24/600447724.db2.gz CNNLVJKATXAXRC-VIFPVBQESA-N 0 1 398.282 3.247 20 0 GGADMN C[C@H](CNC(=O)NCCc1ccc(NC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736595579 600455736 /nfs/dbraw/zinc/45/57/36/600455736.db2.gz OIUJNLHIWFJLKZ-MRXNPFEDSA-N 0 1 396.491 3.065 20 0 GGADMN C[C@@H](CNC(=O)NCCc1ccc(NC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736595578 600455785 /nfs/dbraw/zinc/45/57/85/600455785.db2.gz 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/nfs/dbraw/zinc/11/45/32/601114532.db2.gz FFDMUJALQUSPRM-MRXNPFEDSA-N 0 1 389.452 3.021 20 0 GGADMN CC[C@@H]1C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@H]1c1ccccc1 ZINC000829151887 601114661 /nfs/dbraw/zinc/11/46/61/601114661.db2.gz UEWVVXOAFWWIOQ-RHSMWYFYSA-N 0 1 387.505 3.224 20 0 GGADMN CC[C@@H]1C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC[C@H]1c1ccccc1 ZINC000829151887 601114663 /nfs/dbraw/zinc/11/46/63/601114663.db2.gz UEWVVXOAFWWIOQ-RHSMWYFYSA-N 0 1 387.505 3.224 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000737662740 601115111 /nfs/dbraw/zinc/11/51/11/601115111.db2.gz XTRZBIASTZXCNO-IBGZPJMESA-N 0 1 396.443 3.165 20 0 GGADMN COC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000737662740 601115114 /nfs/dbraw/zinc/11/51/14/601115114.db2.gz XTRZBIASTZXCNO-IBGZPJMESA-N 0 1 396.443 3.165 20 0 GGADMN CC(C)OCCN1CC[NH+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000827030376 601115515 /nfs/dbraw/zinc/11/55/15/601115515.db2.gz DZLHMPFWOIQZIZ-UHFFFAOYSA-N 0 1 380.485 3.281 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828151640 601119452 /nfs/dbraw/zinc/11/94/52/601119452.db2.gz XKKHEWHGUBXMTD-GDBMZVCRSA-N 0 1 377.444 3.487 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000828151641 601119660 /nfs/dbraw/zinc/11/96/60/601119660.db2.gz XKKHEWHGUBXMTD-GOEBONIOSA-N 0 1 377.444 3.487 20 0 GGADMN O=C([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000740231333 601119701 /nfs/dbraw/zinc/11/97/01/601119701.db2.gz LRILMGDYMQSVJW-CYBMUJFWSA-N 0 1 383.370 3.385 20 0 GGADMN Cc1[nH]c(C(=O)CN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c(C)c1C(=O)[O-] ZINC000832843734 601120324 /nfs/dbraw/zinc/12/03/24/601120324.db2.gz GDFPCZACSWDPPF-OAHLLOKOSA-N 0 1 383.492 3.109 20 0 GGADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833010036 601129101 /nfs/dbraw/zinc/12/91/01/601129101.db2.gz ASWURUJBLQQEOJ-KRWDZBQOSA-N 0 1 388.493 3.206 20 0 GGADMN CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830499848 601130951 /nfs/dbraw/zinc/13/09/51/601130951.db2.gz GPIGLXZJPHUURJ-FQEVSTJZSA-N 0 1 381.476 3.442 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC000832944966 601141444 /nfs/dbraw/zinc/14/14/44/601141444.db2.gz OQRZGAYNURLQSV-GOSISDBHSA-N 0 1 381.476 3.379 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC000832944968 601141492 /nfs/dbraw/zinc/14/14/92/601141492.db2.gz OQRZGAYNURLQSV-SFHVURJKSA-N 0 1 381.476 3.379 20 0 GGADMN Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946088 601143323 /nfs/dbraw/zinc/14/33/23/601143323.db2.gz KETXRKPCUIWHBD-JXFKEZNVSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946088 601143325 /nfs/dbraw/zinc/14/33/25/601143325.db2.gz KETXRKPCUIWHBD-JXFKEZNVSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946093 601143743 /nfs/dbraw/zinc/14/37/43/601143743.db2.gz KETXRKPCUIWHBD-OXQOHEQNSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832946093 601143745 /nfs/dbraw/zinc/14/37/45/601143745.db2.gz KETXRKPCUIWHBD-OXQOHEQNSA-N 0 1 397.475 3.104 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)cs2)c1 ZINC000262686807 601150027 /nfs/dbraw/zinc/15/00/27/601150027.db2.gz VEXUAYNXUZEGNT-OAHLLOKOSA-N 0 1 387.505 3.238 20 0 GGADMN Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)cs2)c1 ZINC000262686807 601150030 /nfs/dbraw/zinc/15/00/30/601150030.db2.gz VEXUAYNXUZEGNT-OAHLLOKOSA-N 0 1 387.505 3.238 20 0 GGADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000828717789 601156158 /nfs/dbraw/zinc/15/61/58/601156158.db2.gz KLDVLRNUTNICIT-MKSNKDDYSA-N 0 1 396.553 3.032 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844441 601156402 /nfs/dbraw/zinc/15/64/02/601156402.db2.gz QGCMQDYQQSZJSE-UONOGXRCSA-N 0 1 376.478 3.162 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844441 601156404 /nfs/dbraw/zinc/15/64/04/601156404.db2.gz QGCMQDYQQSZJSE-UONOGXRCSA-N 0 1 376.478 3.162 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844372 601156452 /nfs/dbraw/zinc/15/64/52/601156452.db2.gz QGCMQDYQQSZJSE-KGLIPLIRSA-N 0 1 376.478 3.162 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(C)c1C(=O)[O-] ZINC000832844372 601156454 /nfs/dbraw/zinc/15/64/54/601156454.db2.gz QGCMQDYQQSZJSE-KGLIPLIRSA-N 0 1 376.478 3.162 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000833106728 601156466 /nfs/dbraw/zinc/15/64/66/601156466.db2.gz UXJPQXQBTXGECU-AAEUAGOBSA-N 0 1 380.491 3.034 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000833106728 601156468 /nfs/dbraw/zinc/15/64/68/601156468.db2.gz UXJPQXQBTXGECU-AAEUAGOBSA-N 0 1 380.491 3.034 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000833106730 601156569 /nfs/dbraw/zinc/15/65/69/601156569.db2.gz UXJPQXQBTXGECU-DGCLKSJQSA-N 0 1 380.491 3.034 20 0 GGADMN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000833106730 601156572 /nfs/dbraw/zinc/15/65/72/601156572.db2.gz UXJPQXQBTXGECU-DGCLKSJQSA-N 0 1 380.491 3.034 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000832914497 601156784 /nfs/dbraw/zinc/15/67/84/601156784.db2.gz CUZVWYGSSCOBMB-NVXWUHKLSA-N 0 1 388.489 3.281 20 0 GGADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000832914497 601156785 /nfs/dbraw/zinc/15/67/85/601156785.db2.gz CUZVWYGSSCOBMB-NVXWUHKLSA-N 0 1 388.489 3.281 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828167529 601160785 /nfs/dbraw/zinc/16/07/85/601160785.db2.gz HRGDYHGXSRBHRA-DYESRHJHSA-N 0 1 380.488 3.487 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000830907680 601169850 /nfs/dbraw/zinc/16/98/50/601169850.db2.gz OTUSAVRFHRDGJL-XLIONFOSSA-N 0 1 377.444 3.168 20 0 GGADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000830907680 601169853 /nfs/dbraw/zinc/16/98/53/601169853.db2.gz OTUSAVRFHRDGJL-XLIONFOSSA-N 0 1 377.444 3.168 20 0 GGADMN Cc1ccc(N2CCC(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])CC2)[nH+]c1 ZINC000832936627 601170534 /nfs/dbraw/zinc/17/05/34/601170534.db2.gz NFDAOQXPFNEJHV-JXFKEZNVSA-N 0 1 381.476 3.185 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000830193439 601174232 /nfs/dbraw/zinc/17/42/32/601174232.db2.gz XWLDXMUFIYJMGI-PBHICJAKSA-N 0 1 383.492 3.367 20 0 GGADMN C[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)[C@@H]1c1ccccc1 ZINC000828439125 601179130 /nfs/dbraw/zinc/17/91/30/601179130.db2.gz HFQWILWDKIPMGR-NQERJWCQSA-N 0 1 391.471 3.414 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000831364793 601179236 /nfs/dbraw/zinc/17/92/36/601179236.db2.gz OFUIVPBJLYFJJZ-CKFHNAJUSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000831364793 601179239 /nfs/dbraw/zinc/17/92/39/601179239.db2.gz OFUIVPBJLYFJJZ-CKFHNAJUSA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000831371211 601179548 /nfs/dbraw/zinc/17/95/48/601179548.db2.gz VSXFIKUDDIRPNN-BIENJYKASA-N 0 1 396.443 3.191 20 0 GGADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000831371211 601179549 /nfs/dbraw/zinc/17/95/49/601179549.db2.gz VSXFIKUDDIRPNN-BIENJYKASA-N 0 1 396.443 3.191 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000833183944 601183726 /nfs/dbraw/zinc/18/37/26/601183726.db2.gz APRXAKPLCYUYBQ-TXTKFYIRSA-N 0 1 384.520 3.392 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)Cc1ccc(F)cc1 ZINC000830785214 601191190 /nfs/dbraw/zinc/19/11/90/601191190.db2.gz MKPKUHGCEMKATK-UHFFFAOYSA-N 0 1 381.354 3.056 20 0 GGADMN C[N@@H+](CCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000830785037 601192847 /nfs/dbraw/zinc/19/28/47/601192847.db2.gz FMZVXFDUPKOOOE-UHFFFAOYSA-N 0 1 378.379 3.308 20 0 GGADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC000826785641 601196071 /nfs/dbraw/zinc/19/60/71/601196071.db2.gz ABJFQVOBXOEEKD-IXDOHACOSA-N 0 1 396.553 3.032 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000828177465 601196943 /nfs/dbraw/zinc/19/69/43/601196943.db2.gz RHDRRLHHUQIPAK-APWZRJJASA-N 0 1 397.475 3.325 20 0 GGADMN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1 ZINC000826051057 601202360 /nfs/dbraw/zinc/20/23/60/601202360.db2.gz ABNZGTIKVDAQPI-KZULUSFZSA-N 0 1 381.388 3.017 20 0 GGADMN O=C([O-])CC[N@@H+](Cn1nccc1-c1ccc(F)c(Cl)c1)C1CCOCC1 ZINC000833235813 601206127 /nfs/dbraw/zinc/20/61/27/601206127.db2.gz DSISRDGTONOMOP-UHFFFAOYSA-N 0 1 381.835 3.256 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@H]1C ZINC000829754663 601221884 /nfs/dbraw/zinc/22/18/84/601221884.db2.gz WEYJQOLSYXCGIT-NVXWUHKLSA-N 0 1 388.512 3.322 20 0 GGADMN Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)cs1 ZINC000832978647 601226130 /nfs/dbraw/zinc/22/61/30/601226130.db2.gz ONQUTBLTDIYORQ-MRXNPFEDSA-N 0 1 399.516 3.319 20 0 GGADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000832851984 601267941 /nfs/dbraw/zinc/26/79/41/601267941.db2.gz LZXSMQNXGPBBCL-CQSZACIVSA-N 0 1 399.472 3.227 20 0 GGADMN O=C([O-])c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000833141201 601286092 /nfs/dbraw/zinc/28/60/92/601286092.db2.gz ULDFHUFXUOKADS-QGZVFWFLSA-N 0 1 387.867 3.218 20 0 GGADMN O=C([O-])c1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000833141201 601286093 /nfs/dbraw/zinc/28/60/93/601286093.db2.gz ULDFHUFXUOKADS-QGZVFWFLSA-N 0 1 387.867 3.218 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000830191053 601289492 /nfs/dbraw/zinc/28/94/92/601289492.db2.gz FTAZHGGJVSKRPV-KDOFPFPSSA-N 0 1 383.492 3.224 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000833215243 601289574 /nfs/dbraw/zinc/28/95/74/601289574.db2.gz BHHAKBVFHPHGLG-OXJNMPFZSA-N 0 1 382.435 3.395 20 0 GGADMN O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c2ccccc21 ZINC000833215243 601289578 /nfs/dbraw/zinc/28/95/78/601289578.db2.gz BHHAKBVFHPHGLG-OXJNMPFZSA-N 0 1 382.435 3.395 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164754 601290496 /nfs/dbraw/zinc/29/04/96/601290496.db2.gz YMACLXYEUWNQEE-PMACEKPBSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164754 601290498 /nfs/dbraw/zinc/29/04/98/601290498.db2.gz YMACLXYEUWNQEE-PMACEKPBSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164756 601290807 /nfs/dbraw/zinc/29/08/07/601290807.db2.gz YMACLXYEUWNQEE-VQTJNVASSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000833164756 601290808 /nfs/dbraw/zinc/29/08/08/601290808.db2.gz YMACLXYEUWNQEE-VQTJNVASSA-N 0 1 384.451 3.165 20 0 GGADMN O=C([O-])C1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000263463036 601316442 /nfs/dbraw/zinc/31/64/42/601316442.db2.gz JGOQQILIDGZTGJ-YABDQXBESA-N 0 1 399.535 3.328 20 0 GGADMN Cc1csc(C2([NH2+]CC(=O)NCc3ccc(NC(=O)[O-])cc3)CCCC2)n1 ZINC000832988708 601322571 /nfs/dbraw/zinc/32/25/71/601322571.db2.gz DVHNWUZTZZCMBJ-UHFFFAOYSA-N 0 1 388.493 3.217 20 0 GGADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000833174570 601326314 /nfs/dbraw/zinc/32/63/14/601326314.db2.gz SITVHCXPAWNIKP-OAQYLSRUSA-N 0 1 384.451 3.119 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](c4ccccc4)[C@@H]3C)nc(=O)c12 ZINC000832852828 601329041 /nfs/dbraw/zinc/32/90/41/601329041.db2.gz LWNNZKNNCOPQJL-JSGCOSHPSA-N 0 1 383.473 3.369 20 0 GGADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](c4ccccc4)[C@@H]3C)nc(=O)c12 ZINC000832852828 601329043 /nfs/dbraw/zinc/32/90/43/601329043.db2.gz LWNNZKNNCOPQJL-JSGCOSHPSA-N 0 1 383.473 3.369 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000828456250 601332674 /nfs/dbraw/zinc/33/26/74/601332674.db2.gz JSSIYUZKDBGKHE-UWJYYQICSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000828455654 601335078 /nfs/dbraw/zinc/33/50/78/601335078.db2.gz DRJYSLOZVHQDCD-UZLBHIALSA-N 0 1 397.475 3.182 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829759909 601336909 /nfs/dbraw/zinc/33/69/09/601336909.db2.gz MPUJJLGMTUAUSD-OLZOCXBDSA-N 0 1 383.395 3.077 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000832849420 601342690 /nfs/dbraw/zinc/34/26/90/601342690.db2.gz ZMURGEKZRKHVSR-FZMZJTMJSA-N 0 1 378.270 3.488 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000832849420 601342692 /nfs/dbraw/zinc/34/26/92/601342692.db2.gz ZMURGEKZRKHVSR-FZMZJTMJSA-N 0 1 378.270 3.488 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000832849421 601342699 /nfs/dbraw/zinc/34/26/99/601342699.db2.gz ZMURGEKZRKHVSR-RISCZKNCSA-N 0 1 378.270 3.488 20 0 GGADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000832849421 601342701 /nfs/dbraw/zinc/34/27/01/601342701.db2.gz ZMURGEKZRKHVSR-RISCZKNCSA-N 0 1 378.270 3.488 20 0 GGADMN CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000829765461 601354332 /nfs/dbraw/zinc/35/43/32/601354332.db2.gz VPOXFGIUUOCEMO-GFCCVEGCSA-N 0 1 388.295 3.046 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000829765462 601354355 /nfs/dbraw/zinc/35/43/55/601354355.db2.gz VPOXFGIUUOCEMO-LBPRGKRZSA-N 0 1 388.295 3.046 20 0 GGADMN O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833105633 601355784 /nfs/dbraw/zinc/35/57/84/601355784.db2.gz MOMJTRNCKBAYIH-FQEVSTJZSA-N 0 1 392.521 3.156 20 0 GGADMN O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833105633 601355788 /nfs/dbraw/zinc/35/57/88/601355788.db2.gz MOMJTRNCKBAYIH-FQEVSTJZSA-N 0 1 392.521 3.156 20 0 GGADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000831919612 601360662 /nfs/dbraw/zinc/36/06/62/601360662.db2.gz YFRXSLQBYPLEBX-KFKAGJAMSA-N 0 1 385.460 3.011 20 0 GGADMN Cc1ccc(N2CCC(c3nc(COc4cccc(C(=O)[O-])c4)no3)CC2)[nH+]c1 ZINC000832936833 601366276 /nfs/dbraw/zinc/36/62/76/601366276.db2.gz SIWVTUQCTDLPRI-UHFFFAOYSA-N 0 1 394.431 3.434 20 0 GGADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826025892 601394859 /nfs/dbraw/zinc/39/48/59/601394859.db2.gz IDCBWAZCURWRLY-IOMROCGXSA-N 0 1 380.488 3.477 20 0 GGADMN COc1cccc([C@H](C)[NH+]2CCN(Cn3nc(C(=O)[O-])c4ccccc43)CC2)c1 ZINC000832533842 601399417 /nfs/dbraw/zinc/39/94/17/601399417.db2.gz RHGVUGYBIZGMQD-INIZCTEOSA-N 0 1 394.475 3.079 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000830375284 601412323 /nfs/dbraw/zinc/41/23/23/601412323.db2.gz KZNQQQCXEHKHJD-UHFFFAOYSA-N 0 1 394.269 3.020 20 0 GGADMN O=C([O-])C1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000833135253 601419937 /nfs/dbraw/zinc/41/99/37/601419937.db2.gz ZNHCVHYITJZKTM-JOCHJYFZSA-N 0 1 399.535 3.329 20 0 GGADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000833180387 601432042 /nfs/dbraw/zinc/43/20/42/601432042.db2.gz UKBIHXICFYBRNK-ZWKOTPCHSA-N 0 1 390.549 3.378 20 0 GGADMN COc1ccc(OC)c([C@H](O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000832431346 601433497 /nfs/dbraw/zinc/43/34/97/601433497.db2.gz NMVZTAKHMFKDFU-ZYSHUDEJSA-N 0 1 377.481 3.093 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1OC ZINC000829170377 601457719 /nfs/dbraw/zinc/45/77/19/601457719.db2.gz PGXNTATZVSNZQO-GDBMZVCRSA-N 0 1 391.489 3.204 20 0 GGADMN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000663148590 601474776 /nfs/dbraw/zinc/47/47/76/601474776.db2.gz SKJTWMCFIWSXRM-CTNGQTDRSA-N 0 1 378.472 3.109 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828378400 601478705 /nfs/dbraw/zinc/47/87/05/601478705.db2.gz QJYIVUYAVHGQOR-BEFAXECRSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828378400 601478706 /nfs/dbraw/zinc/47/87/06/601478706.db2.gz QJYIVUYAVHGQOR-BEFAXECRSA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828378372 601478758 /nfs/dbraw/zinc/47/87/58/601478758.db2.gz QFMPDVRLAVZRGF-KXBFYZLASA-N 0 1 398.463 3.048 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828378372 601478760 /nfs/dbraw/zinc/47/87/60/601478760.db2.gz QFMPDVRLAVZRGF-KXBFYZLASA-N 0 1 398.463 3.048 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000663149772 601485283 /nfs/dbraw/zinc/48/52/83/601485283.db2.gz ZAOLVAAHLYAKNY-WIYYLYMNSA-N 0 1 396.462 3.248 20 0 GGADMN C[C@@H](c1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000656602840 601486352 /nfs/dbraw/zinc/48/63/52/601486352.db2.gz ZINDKCKISVKDEC-INIZCTEOSA-N 0 1 389.496 3.189 20 0 GGADMN O=C([O-])CCC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000656602315 601486427 /nfs/dbraw/zinc/48/64/27/601486427.db2.gz MZTRVDDQGPBQSK-UHFFFAOYSA-N 0 1 391.537 3.344 20 0 GGADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000831584483 601490621 /nfs/dbraw/zinc/49/06/21/601490621.db2.gz GHDVLGQFSNHBLB-INIZCTEOSA-N 0 1 383.242 3.074 20 0 GGADMN COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1)oc1ccccc12 ZINC000832102489 601511274 /nfs/dbraw/zinc/51/12/74/601511274.db2.gz DPLAUNJKZYULKT-DOMZBBRYSA-N 0 1 382.416 3.186 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cs1)c1ccc(F)cc1 ZINC000825823319 601513590 /nfs/dbraw/zinc/51/35/90/601513590.db2.gz OGZIUCGMMFUXBD-BZNIZROVSA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cs1)c1ccc(F)cc1 ZINC000825823319 601513593 /nfs/dbraw/zinc/51/35/93/601513593.db2.gz OGZIUCGMMFUXBD-BZNIZROVSA-N 0 1 377.441 3.119 20 0 GGADMN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828424010 601513723 /nfs/dbraw/zinc/51/37/23/601513723.db2.gz NVQRJHQJIKNJPB-IIDMSEBBSA-N 0 1 399.516 3.353 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000825823321 601513839 /nfs/dbraw/zinc/51/38/39/601513839.db2.gz OGZIUCGMMFUXBD-ZBEGNZNMSA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000825823321 601513841 /nfs/dbraw/zinc/51/38/41/601513841.db2.gz OGZIUCGMMFUXBD-ZBEGNZNMSA-N 0 1 377.441 3.119 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000830109886 601515986 /nfs/dbraw/zinc/51/59/86/601515986.db2.gz QIVVKFWMMJDYHA-SYNHAJSKSA-N 0 1 382.460 3.418 20 0 GGADMN CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c2cccs2)cc1 ZINC000830238280 601525854 /nfs/dbraw/zinc/52/58/54/601525854.db2.gz QSBBTILCABYRNN-VHFSOBRXSA-N 0 1 386.517 3.169 20 0 GGADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000263388974 601526253 /nfs/dbraw/zinc/52/62/53/601526253.db2.gz YJQHFIPCBOQGTL-PRHODGIISA-N 0 1 398.303 3.315 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000828309884 601528141 /nfs/dbraw/zinc/52/81/41/601528141.db2.gz GXFYDLQUVMASLM-BLFANLJRSA-N 0 1 375.494 3.235 20 0 GGADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000828309884 601528142 /nfs/dbraw/zinc/52/81/42/601528142.db2.gz GXFYDLQUVMASLM-BLFANLJRSA-N 0 1 375.494 3.235 20 0 GGADMN Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000832860866 601534748 /nfs/dbraw/zinc/53/47/48/601534748.db2.gz ONMQMTONVNVHFE-IBGZPJMESA-N 0 1 394.471 3.392 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863223 601535835 /nfs/dbraw/zinc/53/58/35/601535835.db2.gz LFEAIQHBHHHONM-YLJYHZDGSA-N 0 1 396.487 3.332 20 0 GGADMN Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863219 601535841 /nfs/dbraw/zinc/53/58/41/601535841.db2.gz LFEAIQHBHHHONM-XLIONFOSSA-N 0 1 396.487 3.332 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000565109592 601543563 /nfs/dbraw/zinc/54/35/63/601543563.db2.gz HHLAIITXCOOWMR-OAQYLSRUSA-N 0 1 377.444 3.183 20 0 GGADMN Cn1ccnc1COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000565109589 601543694 /nfs/dbraw/zinc/54/36/94/601543694.db2.gz HHLAIITXCOOWMR-NRFANRHFSA-N 0 1 377.444 3.183 20 0 GGADMN Cc1cc(=O)oc2cc(OCC[N@H+]3CCc4ccccc4[C@H]3C(=O)[O-])ccc12 ZINC000832858140 601545938 /nfs/dbraw/zinc/54/59/38/601545938.db2.gz JPPDQQPTQVAFNB-NRFANRHFSA-N 0 1 379.412 3.164 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000833196085 601545983 /nfs/dbraw/zinc/54/59/83/601545983.db2.gz XCMXWPZLTBSCDN-QGZVFWFLSA-N 0 1 386.249 3.281 20 0 GGADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000833196085 601545985 /nfs/dbraw/zinc/54/59/85/601545985.db2.gz XCMXWPZLTBSCDN-QGZVFWFLSA-N 0 1 386.249 3.281 20 0 GGADMN Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)oc1C(=O)[O-] ZINC000832883551 601546244 /nfs/dbraw/zinc/54/62/44/601546244.db2.gz UXCICMDTVQKHKP-HNNXBMFYSA-N 0 1 382.416 3.427 20 0 GGADMN Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)oc1C(=O)[O-] ZINC000832883551 601546246 /nfs/dbraw/zinc/54/62/46/601546246.db2.gz UXCICMDTVQKHKP-HNNXBMFYSA-N 0 1 382.416 3.427 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924118 601550127 /nfs/dbraw/zinc/55/01/27/601550127.db2.gz GMKFCDURPKWTCJ-KVJIRVJXSA-N 0 1 383.488 3.114 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cs1)c1ccccc1F ZINC000825823360 601550783 /nfs/dbraw/zinc/55/07/83/601550783.db2.gz PULGBAACFRTOIK-BXUZGUMPSA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cs1)c1ccccc1F ZINC000825823360 601550784 /nfs/dbraw/zinc/55/07/84/601550784.db2.gz PULGBAACFRTOIK-BXUZGUMPSA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1)c1ccccc1F ZINC000825823361 601550956 /nfs/dbraw/zinc/55/09/56/601550956.db2.gz PULGBAACFRTOIK-FZMZJTMJSA-N 0 1 377.441 3.119 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cs1)c1ccccc1F ZINC000825823361 601550958 /nfs/dbraw/zinc/55/09/58/601550958.db2.gz PULGBAACFRTOIK-FZMZJTMJSA-N 0 1 377.441 3.119 20 0 GGADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000832982489 601551499 /nfs/dbraw/zinc/55/14/99/601551499.db2.gz UUDWKOONWDAKAQ-CMCXCUNFSA-N 0 1 383.488 3.114 20 0 GGADMN O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502343 607513599 /nfs/dbraw/zinc/51/35/99/607513599.db2.gz BJZZPBIZCGFESB-SFHVURJKSA-N 0 1 392.488 3.059 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502343 607513600 /nfs/dbraw/zinc/51/36/00/607513600.db2.gz BJZZPBIZCGFESB-SFHVURJKSA-N 0 1 392.488 3.059 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccncc1)Cn1ncc2c1cccc2Br ZINC000833236694 601559897 /nfs/dbraw/zinc/55/98/97/601559897.db2.gz XMZUYBAKKPQCHA-UHFFFAOYSA-N 0 1 389.253 3.128 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccncc1)Cn1ncc2c1cccc2Br ZINC000833236694 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CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000829643202 601644088 /nfs/dbraw/zinc/64/40/88/601644088.db2.gz WLKYVTHPAIQKPC-ZDUSSCGKSA-N 0 1 390.377 3.147 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C(=O)[O-] ZINC000828162096 601647030 /nfs/dbraw/zinc/64/70/30/601647030.db2.gz RPLGJCPZPBFNDT-AXVVYFOYSA-N 0 1 387.524 3.027 20 0 GGADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000828162097 601647059 /nfs/dbraw/zinc/64/70/59/601647059.db2.gz RPLGJCPZPBFNDT-CLWJZODNSA-N 0 1 387.524 3.027 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@H]4COCC[C@@H]43)c2C(=O)[O-])C1 ZINC000828311315 601662042 /nfs/dbraw/zinc/66/20/42/601662042.db2.gz WQIPIGCWFMKUCK-IPYPFGDCSA-N 0 1 392.521 3.011 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@](F)(C(=O)[O-])C1)C1CCCCC1 ZINC000830860774 601686020 /nfs/dbraw/zinc/68/60/20/601686020.db2.gz YAQHKMSYDQYJDB-HXUWFJFHSA-N 0 1 377.460 3.482 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)C1 ZINC000826881226 601688746 /nfs/dbraw/zinc/68/87/46/601688746.db2.gz JXAZGONXQCHGCI-YOEHRIQHSA-N 0 1 381.904 3.133 20 0 GGADMN O=C([O-])C1(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCC1 ZINC000833136574 601705687 /nfs/dbraw/zinc/70/56/87/601705687.db2.gz RQUHQPKPBGEGPA-UHFFFAOYSA-N 0 1 377.510 3.002 20 0 GGADMN C[C@@H](Cc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827593021 601727549 /nfs/dbraw/zinc/72/75/49/601727549.db2.gz YVAYCXHXCBZLIN-FDDCHVKYSA-N 0 1 380.488 3.101 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cc(Cl)ccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128513 601728515 /nfs/dbraw/zinc/72/85/15/601728515.db2.gz IJZHKAQODIQYJG-FQEVSTJZSA-N 0 1 390.842 3.328 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cccc3cnccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128473 601728659 /nfs/dbraw/zinc/72/86/59/601728659.db2.gz HCYMBBHGEHWYBO-QHCPKHFHSA-N 0 1 389.455 3.084 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128992 601730272 /nfs/dbraw/zinc/73/02/72/601730272.db2.gz QMGPPIAFPMWWAE-YZUZCNPQSA-N 0 1 392.499 3.101 20 0 GGADMN COc1cccc([C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832528406 601730540 /nfs/dbraw/zinc/73/05/40/601730540.db2.gz KGMBNTTXQGLZET-HXOBKFHXSA-N 0 1 396.487 3.034 20 0 GGADMN COc1cccc([C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832528407 601730654 /nfs/dbraw/zinc/73/06/54/601730654.db2.gz KGMBNTTXQGLZET-SBUREZEXSA-N 0 1 396.487 3.034 20 0 GGADMN O=C([O-])[C@@]1(NC(=O)/C=C\c2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833094677 601731356 /nfs/dbraw/zinc/73/13/56/601731356.db2.gz JZDXYOQSJUHJNG-GMAFFVFYSA-N 0 1 382.435 3.075 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2cc3ccsc3[nH]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128855 601731721 /nfs/dbraw/zinc/73/17/21/601731721.db2.gz OIIXRIZBVQLDAW-FQEVSTJZSA-N 0 1 383.473 3.079 20 0 GGADMN O=C([O-])[C@]1(NC(=O)c2ccc(F)cc2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129245 601731736 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CC(=O)N(c1nc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000825823041 601946386 /nfs/dbraw/zinc/94/63/86/601946386.db2.gz LFIZLICEAWHJSA-SFHVURJKSA-N 0 1 377.441 3.263 20 0 GGADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)[C@H](C)C1 ZINC000829753233 601947512 /nfs/dbraw/zinc/94/75/12/601947512.db2.gz NOYLWLULVKRQGW-QAPCUYQASA-N 0 1 388.512 3.179 20 0 GGADMN Cc1ccc(C2=NN(C(=O)C[N@H+]3CC[C@](C)(C(=O)[O-])C3)[C@@H](c3ccco3)C2)cc1 ZINC000832930135 601947715 /nfs/dbraw/zinc/94/77/15/601947715.db2.gz PZASAYWQRMYKPY-GCJKJVERSA-N 0 1 395.459 3.062 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)[C@H](C)C1 ZINC000829759925 601948231 /nfs/dbraw/zinc/94/82/31/601948231.db2.gz MQMORTVNHZBPDW-RHSMWYFYSA-N 0 1 379.526 3.198 20 0 GGADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[C@@H](C)C1 ZINC000829760339 601949839 /nfs/dbraw/zinc/94/98/39/601949839.db2.gz PZWGTRQEEOXZSH-HNAYVOBHSA-N 0 1 399.491 3.497 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)n2)c(C)c1 ZINC000832874145 601954121 /nfs/dbraw/zinc/95/41/21/601954121.db2.gz MVJAVBYHDWPTAU-FQEVSTJZSA-N 0 1 387.505 3.470 20 0 GGADMN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@](C)(C(=O)[O-])C3)n2)c(C)c1 ZINC000832874145 601954124 /nfs/dbraw/zinc/95/41/24/601954124.db2.gz MVJAVBYHDWPTAU-FQEVSTJZSA-N 0 1 387.505 3.470 20 0 GGADMN C[N@H+](Cc1ccc(C(=O)[O-])s1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000830819513 601955648 /nfs/dbraw/zinc/95/56/48/601955648.db2.gz SASRQAKOHULDOW-GFCCVEGCSA-N 0 1 389.395 3.337 20 0 GGADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C(=O)[O-])s3)CC2)cs1 ZINC000831501924 601964561 /nfs/dbraw/zinc/96/45/61/601964561.db2.gz ZEDJKCVPODCQAS-ZDUSSCGKSA-N 0 1 395.550 3.318 20 0 GGADMN CC(=O)N(c1nc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cs1)c1ccccc1F ZINC000825823143 601969552 /nfs/dbraw/zinc/96/95/52/601969552.db2.gz NSBPXBIVGHDGJL-GOSISDBHSA-N 0 1 377.441 3.263 20 0 GGADMN CC(=O)N(c1nc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cs1)c1ccccc1F ZINC000825823143 601969554 /nfs/dbraw/zinc/96/95/54/601969554.db2.gz NSBPXBIVGHDGJL-GOSISDBHSA-N 0 1 377.441 3.263 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000563287856 601970210 /nfs/dbraw/zinc/97/02/10/601970210.db2.gz DQLSGXLERBKNFT-XPNTWCBSSA-N 0 1 383.488 3.259 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc(SC(F)F)c2)c1-c1nn[nH]n1 ZINC000826304031 607536552 /nfs/dbraw/zinc/53/65/52/607536552.db2.gz SEOSZVFHNHTEOO-UHFFFAOYSA-N 0 1 397.432 3.291 20 0 GGADMN O=C([O-])[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000833168121 601975895 /nfs/dbraw/zinc/97/58/95/601975895.db2.gz UOTANFAYPPXGHC-INIZCTEOSA-N 0 1 387.307 3.354 20 0 GGADMN CN(CCCC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)C(=O)[O-] ZINC000830768465 601983332 /nfs/dbraw/zinc/98/33/32/601983332.db2.gz WFAWLHIBADTBFO-CQSZACIVSA-N 0 1 384.423 3.110 20 0 GGADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000828257675 602002275 /nfs/dbraw/zinc/00/22/75/602002275.db2.gz HXDLZZRIAQWWRI-MRXNPFEDSA-N 0 1 394.537 3.050 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000828168099 602023375 /nfs/dbraw/zinc/02/33/75/602023375.db2.gz MHAGKGQSDOVTDT-SJLPKXTDSA-N 0 1 391.471 3.119 20 0 GGADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829163678 602023551 /nfs/dbraw/zinc/02/35/51/602023551.db2.gz ZYLYMADHXXUOTL-CABCVRRESA-N 0 1 385.386 3.494 20 0 GGADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829759035 602027729 /nfs/dbraw/zinc/02/77/29/602027729.db2.gz GTXSQMGIUCQOCF-CABCVRRESA-N 0 1 385.386 3.494 20 0 GGADMN C[C@H]1C[C@H](NC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000828178038 602039220 /nfs/dbraw/zinc/03/92/20/602039220.db2.gz ZAUTWLXSKURISR-JXFKEZNVSA-N 0 1 381.476 3.488 20 0 GGADMN O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000833170249 602042596 /nfs/dbraw/zinc/04/25/96/602042596.db2.gz GMLPRHBKHWHLQV-BLLLJJGKSA-N 0 1 385.291 3.454 20 0 GGADMN O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000833170260 602043061 /nfs/dbraw/zinc/04/30/61/602043061.db2.gz GMLPRHBKHWHLQV-WBMJQRKESA-N 0 1 385.291 3.454 20 0 GGADMN Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832863249 602049412 /nfs/dbraw/zinc/04/94/12/602049412.db2.gz MJAWOKPOUKBQAH-PXNSSMCTSA-N 0 1 396.487 3.160 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])CC2)cs1 ZINC000833000650 602050468 /nfs/dbraw/zinc/05/04/68/602050468.db2.gz GLAKXSQPERTOBN-ROUUACIJSA-N 0 1 393.553 3.203 20 0 GGADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])CC2)cs1 ZINC000833000647 602050791 /nfs/dbraw/zinc/05/07/91/602050791.db2.gz GLAKXSQPERTOBN-QZTJIDSGSA-N 0 1 393.553 3.203 20 0 GGADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000263020138 602058390 /nfs/dbraw/zinc/05/83/90/602058390.db2.gz OKIZSWAKMOVFNE-HYFFOGBASA-N 0 1 387.524 3.171 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000663062984 602061097 /nfs/dbraw/zinc/06/10/97/602061097.db2.gz WAGAJYGNWOJYKE-KRWDZBQOSA-N 0 1 388.508 3.267 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000827309564 602093119 /nfs/dbraw/zinc/09/31/19/602093119.db2.gz BNVUGBJAWQRNHS-GOSISDBHSA-N 0 1 395.503 3.054 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000828258504 602108702 /nfs/dbraw/zinc/10/87/02/602108702.db2.gz SIRKHDFKNATCOK-HNNXBMFYSA-N 0 1 376.501 3.232 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000830929292 602111083 /nfs/dbraw/zinc/11/10/83/602111083.db2.gz XFGRKHUQRPPKHV-QGZVFWFLSA-N 0 1 397.475 3.427 20 0 GGADMN CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829770820 602120916 /nfs/dbraw/zinc/12/09/16/602120916.db2.gz NOFVDVCJHIGWGT-AWEZNQCLSA-N 0 1 387.505 3.074 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000827255477 602128219 /nfs/dbraw/zinc/12/82/19/602128219.db2.gz FFOZVRMLTDGXQR-CYBMUJFWSA-N 0 1 386.414 3.239 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000827290149 602165932 /nfs/dbraw/zinc/16/59/32/602165932.db2.gz DFLHIMSDQIFOEH-IFIJOSMWSA-N 0 1 386.414 3.315 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000827290152 602165987 /nfs/dbraw/zinc/16/59/87/602165987.db2.gz DFLHIMSDQIFOEH-SUYBPPKGSA-N 0 1 386.414 3.315 20 0 GGADMN C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000827290151 602166005 /nfs/dbraw/zinc/16/60/05/602166005.db2.gz DFLHIMSDQIFOEH-MRRJBJDNSA-N 0 1 386.414 3.315 20 0 GGADMN COc1cc(OC)cc([C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)C(=O)[O-])c1 ZINC000832050301 602166402 /nfs/dbraw/zinc/16/64/02/602166402.db2.gz OMRCAAODMABJCG-JOCHJYFZSA-N 0 1 398.503 3.392 20 0 GGADMN COc1cc(OC)cc([C@H](NC2CC[NH+](CCc3ccccc3)CC2)C(=O)[O-])c1 ZINC000832050278 602166768 /nfs/dbraw/zinc/16/67/68/602166768.db2.gz NPYORRQUIWKKKQ-QFIPXVFZSA-N 0 1 398.503 3.126 20 0 GGADMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cn1ncc(Br)c1C1CC1 ZINC000833233930 602192063 /nfs/dbraw/zinc/19/20/63/602192063.db2.gz MGPGEHMMXVEQFQ-UHFFFAOYSA-N 0 1 378.270 3.457 20 0 GGADMN O=C([O-])CC[N@H+](Cc1ccccc1)Cn1ncc(Br)c1C1CC1 ZINC000833233930 602192066 /nfs/dbraw/zinc/19/20/66/602192066.db2.gz MGPGEHMMXVEQFQ-UHFFFAOYSA-N 0 1 378.270 3.457 20 0 GGADMN Cc1cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc(C)c1OCC(=O)[O-] ZINC000832883478 602194000 /nfs/dbraw/zinc/19/40/00/602194000.db2.gz XAWJQYYDCCZPGP-INIZCTEOSA-N 0 1 380.448 3.198 20 0 GGADMN CCc1[nH]c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830192444 602207805 /nfs/dbraw/zinc/20/78/05/602207805.db2.gz PPBJNXVMELXQPZ-QVDMIQRCSA-N 0 1 397.519 3.470 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830927729 602222219 /nfs/dbraw/zinc/22/22/19/602222219.db2.gz BWTGGIGTMARQOW-OAHLLOKOSA-N 0 1 385.464 3.109 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc12 ZINC000833257074 602223624 /nfs/dbraw/zinc/22/36/24/602223624.db2.gz MAXBNZFFZXHMAL-ROUUACIJSA-N 0 1 383.448 3.052 20 0 GGADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000826881387 602223631 /nfs/dbraw/zinc/22/36/31/602223631.db2.gz RFWXKXSPEOIDKO-INIZCTEOSA-N 0 1 399.491 3.403 20 0 GGADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829613041 602227416 /nfs/dbraw/zinc/22/74/16/602227416.db2.gz GSUQQMZXDFKUDQ-OAHLLOKOSA-N 0 1 385.464 3.109 20 0 GGADMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828425140 602227716 /nfs/dbraw/zinc/22/77/16/602227716.db2.gz XZQKDQCPKUBPDM-KBXCAEBGSA-N 0 1 385.464 3.153 20 0 GGADMN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC[N@H+]1C ZINC000828168536 602228694 /nfs/dbraw/zinc/22/86/94/602228694.db2.gz PBMKMTLPMFYHCA-GJZGRUSLSA-N 0 1 385.464 3.250 20 0 GGADMN CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829502158 602229162 /nfs/dbraw/zinc/22/91/62/602229162.db2.gz NQVWLBXUCAEXFR-OAHLLOKOSA-N 0 1 385.464 3.157 20 0 GGADMN O=C([O-])COc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c2ccccc12 ZINC000833255342 602230065 /nfs/dbraw/zinc/23/00/65/602230065.db2.gz HUOZXQIPOXXMIS-OAHLLOKOSA-N 0 1 383.448 3.005 20 0 GGADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000830369640 602242025 /nfs/dbraw/zinc/24/20/25/602242025.db2.gz QTAKSHNIGKJSBO-UHFFFAOYSA-N 0 1 388.464 3.270 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828527367 602242221 /nfs/dbraw/zinc/24/22/21/602242221.db2.gz JIGWWQAZQQAOQH-DOMZBBRYSA-N 0 1 377.387 3.022 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828527367 602242226 /nfs/dbraw/zinc/24/22/26/602242226.db2.gz JIGWWQAZQQAOQH-DOMZBBRYSA-N 0 1 377.387 3.022 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C(=O)[O-])c1C ZINC000833034013 602250368 /nfs/dbraw/zinc/25/03/68/602250368.db2.gz LNOUFWNHKMGMEN-KBPBESRZSA-N 0 1 392.477 3.183 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(C(=O)[O-])c1C ZINC000833034013 602250371 /nfs/dbraw/zinc/25/03/71/602250371.db2.gz LNOUFWNHKMGMEN-KBPBESRZSA-N 0 1 392.477 3.183 20 0 GGADMN CC[C@H](NC(=O)c1ccccc1NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828978102 602263831 /nfs/dbraw/zinc/26/38/31/602263831.db2.gz CJWTUYTVSIRUMO-ICSRJNTNSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)c1ccccc1NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828978102 602263833 /nfs/dbraw/zinc/26/38/33/602263833.db2.gz CJWTUYTVSIRUMO-ICSRJNTNSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828951226 602274116 /nfs/dbraw/zinc/27/41/16/602274116.db2.gz GTYMDNKIVRBNSW-PMACEKPBSA-N 0 1 397.475 3.186 20 0 GGADMN CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828951226 602274117 /nfs/dbraw/zinc/27/41/17/602274117.db2.gz GTYMDNKIVRBNSW-PMACEKPBSA-N 0 1 397.475 3.186 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414629442 602277281 /nfs/dbraw/zinc/27/72/81/602277281.db2.gz OBFWSGIFVLBKDV-YRWFTTLQSA-N 0 1 375.513 3.087 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263253418 602281476 /nfs/dbraw/zinc/28/14/76/602281476.db2.gz PGNDWLHUUVVKRR-XYSFFOQXSA-N 0 1 387.524 3.086 20 0 GGADMN CCN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414629249 602282167 /nfs/dbraw/zinc/28/21/67/602282167.db2.gz TYEZXRGZUMYTEG-CMTQZCSUSA-N 0 1 387.524 3.497 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828457748 602282659 /nfs/dbraw/zinc/28/26/59/602282659.db2.gz YHFKEEUYUUUREW-QWHZDKJVSA-N 0 1 384.480 3.001 20 0 GGADMN O=C([O-])C[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CCCC1 ZINC000833247641 602336514 /nfs/dbraw/zinc/33/65/14/602336514.db2.gz RPSJZTQDRJEVHG-UHFFFAOYSA-N 0 1 377.441 3.217 20 0 GGADMN O=C([O-])C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CCCC1 ZINC000833247641 602336515 /nfs/dbraw/zinc/33/65/15/602336515.db2.gz RPSJZTQDRJEVHG-UHFFFAOYSA-N 0 1 377.441 3.217 20 0 GGADMN COc1cc(NC(=O)CC[N@@H+](CC(=O)[O-])C2CCCC2)c(OC)cc1Cl ZINC000832017509 602337816 /nfs/dbraw/zinc/33/78/16/602337816.db2.gz VICLWDCCUNYNGU-UHFFFAOYSA-N 0 1 384.860 3.015 20 0 GGADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCC(=O)N(C)CC(=O)[O-] ZINC000832992363 602342721 /nfs/dbraw/zinc/34/27/21/602342721.db2.gz HFUBVBCCNJIGFT-CQSZACIVSA-N 0 1 375.494 3.044 20 0 GGADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000833107095 602346136 /nfs/dbraw/zinc/34/61/36/602346136.db2.gz YAQYXGORNCXYMF-MAUKXSAKSA-N 0 1 386.448 3.285 20 0 GGADMN Cc1[nH]c(C(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(C)c1C(=O)[O-] ZINC000832843284 602346712 /nfs/dbraw/zinc/34/67/12/602346712.db2.gz BTZJAXKBSLQNQC-HZPDHXFCSA-N 0 1 388.464 3.474 20 0 GGADMN Cc1[nH]c(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(C)c1C(=O)[O-] ZINC000832843284 602346715 /nfs/dbraw/zinc/34/67/15/602346715.db2.gz BTZJAXKBSLQNQC-HZPDHXFCSA-N 0 1 388.464 3.474 20 0 GGADMN O=C([O-])c1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000833106324 602346734 /nfs/dbraw/zinc/34/67/34/602346734.db2.gz QIYWASKVBOHGNQ-QZTJIDSGSA-N 0 1 386.448 3.285 20 0 GGADMN CN(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830508267 602364538 /nfs/dbraw/zinc/36/45/38/602364538.db2.gz UTUVAELYNUWUNT-IBGZPJMESA-N 0 1 397.475 3.278 20 0 GGADMN CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830500694 602365384 /nfs/dbraw/zinc/36/53/84/602365384.db2.gz VNVKXPFXENKKNP-IBGZPJMESA-N 0 1 382.464 3.192 20 0 GGADMN CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000828884691 602375757 /nfs/dbraw/zinc/37/57/57/602375757.db2.gz YYLOXSWENLZENO-QGZVFWFLSA-N 0 1 385.439 3.482 20 0 GGADMN CN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830495636 602401229 /nfs/dbraw/zinc/40/12/29/602401229.db2.gz ILOZWPQJKLQCQW-GOSISDBHSA-N 0 1 391.471 3.072 20 0 GGADMN CN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830495637 602401249 /nfs/dbraw/zinc/40/12/49/602401249.db2.gz ILOZWPQJKLQCQW-SFHVURJKSA-N 0 1 391.471 3.072 20 0 GGADMN Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832860093 602401261 /nfs/dbraw/zinc/40/12/61/602401261.db2.gz VWZWSRDLFMBNSA-HXUWFJFHSA-N 0 1 396.487 3.113 20 0 GGADMN O=C([O-])Nc1cccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000740026990 602415636 /nfs/dbraw/zinc/41/56/36/602415636.db2.gz ITCSMVOAZIADOQ-UHFFFAOYSA-N 0 1 380.404 3.326 20 0 GGADMN O=C([O-])Nc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000738664578 602603353 /nfs/dbraw/zinc/60/33/53/602603353.db2.gz ICVDWEGTKMXTOM-KRWDZBQOSA-N 0 1 382.464 3.463 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000736414015 602849835 /nfs/dbraw/zinc/84/98/35/602849835.db2.gz FTWZCMQAQLPHHO-QRQLOZEOSA-N 0 1 375.513 3.180 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000736414018 602849908 /nfs/dbraw/zinc/84/99/08/602849908.db2.gz FTWZCMQAQLPHHO-WDSOQIARSA-N 0 1 375.513 3.180 20 0 GGADMN CN(CC(=O)OC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737405235 603147851 /nfs/dbraw/zinc/14/78/51/603147851.db2.gz FARSDUQLLDJIST-XJKSGUPXSA-N 0 1 388.386 3.241 20 0 GGADMN CN(CC(=O)OC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737405232 603147956 /nfs/dbraw/zinc/14/79/56/603147956.db2.gz FARSDUQLLDJIST-CJNGLKHVSA-N 0 1 388.386 3.241 20 0 GGADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000736532598 603283055 /nfs/dbraw/zinc/28/30/55/603283055.db2.gz MMEDBVLMEAAVBB-QGZVFWFLSA-N 0 1 385.468 3.319 20 0 GGADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737283898 603570677 /nfs/dbraw/zinc/57/06/77/603570677.db2.gz DHTFIUPTLYQSPE-KRWDZBQOSA-N 0 1 385.468 3.125 20 0 GGADMN Cc1nc(Cl)cc(N2CC[NH+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000833000806 604275493 /nfs/dbraw/zinc/27/54/93/604275493.db2.gz PALDAAGJMJJJAL-MRXNPFEDSA-N 0 1 381.263 3.040 20 0 GGADMN Cc1nc(Cl)cc(N2CC[NH+]([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000833000804 604275631 /nfs/dbraw/zinc/27/56/31/604275631.db2.gz PALDAAGJMJJJAL-INIZCTEOSA-N 0 1 381.263 3.040 20 0 GGADMN O=C([O-])C1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000833134312 604306369 /nfs/dbraw/zinc/30/63/69/604306369.db2.gz SHDGWESBSSGGDL-VQTJNVASSA-N 0 1 399.535 3.328 20 0 GGADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829765141 604312828 /nfs/dbraw/zinc/31/28/28/604312828.db2.gz KBJQMSWYNFGUQH-KRWDZBQOSA-N 0 1 385.439 3.046 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000738163708 604319605 /nfs/dbraw/zinc/31/96/05/604319605.db2.gz PAZPICOBFREAOL-KBXCAEBGSA-N 0 1 383.492 3.455 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000738163714 604319617 /nfs/dbraw/zinc/31/96/17/604319617.db2.gz PAZPICOBFREAOL-RDTXWAMCSA-N 0 1 383.492 3.455 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000738163712 604319631 /nfs/dbraw/zinc/31/96/31/604319631.db2.gz PAZPICOBFREAOL-KSSFIOAISA-N 0 1 383.492 3.455 20 0 GGADMN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000738165398 604321376 /nfs/dbraw/zinc/32/13/76/604321376.db2.gz AUMKWEHLVFBYKV-GUYCJALGSA-N 0 1 375.494 3.204 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(CSCCC(=O)[O-])c3)CC[C@H]21 ZINC000830940763 604335898 /nfs/dbraw/zinc/33/58/98/604335898.db2.gz JIYPFQQWELGKAB-SJLPKXTDSA-N 0 1 391.537 3.343 20 0 GGADMN C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508432 604353471 /nfs/dbraw/zinc/35/34/71/604353471.db2.gz FKFXQISAKYJGME-NVXWUHKLSA-N 0 1 392.455 3.182 20 0 GGADMN C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508432 604353474 /nfs/dbraw/zinc/35/34/74/604353474.db2.gz FKFXQISAKYJGME-NVXWUHKLSA-N 0 1 392.455 3.182 20 0 GGADMN C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508433 604353486 /nfs/dbraw/zinc/35/34/86/604353486.db2.gz FKFXQISAKYJGME-RDJZCZTQSA-N 0 1 392.455 3.182 20 0 GGADMN C[C@H]1CO[C@H](CO)C[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000828508433 604353487 /nfs/dbraw/zinc/35/34/87/604353487.db2.gz FKFXQISAKYJGME-RDJZCZTQSA-N 0 1 392.455 3.182 20 0 GGADMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000830940250 604355592 /nfs/dbraw/zinc/35/55/92/604355592.db2.gz DXPIJHPGYYVLJU-ABAIWWIYSA-N 0 1 385.386 3.352 20 0 GGADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000826246997 607687911 /nfs/dbraw/zinc/68/79/11/607687911.db2.gz QWLMBLTUZHJTPM-JTQLQIEISA-N 0 1 381.827 3.196 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000833173740 604358225 /nfs/dbraw/zinc/35/82/25/604358225.db2.gz VMOVNPFWUSJDRD-GXTWGEPZSA-N 0 1 377.699 3.277 20 0 GGADMN Cc1ccc([C@H](O)C[NH+]2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000832924975 604358699 /nfs/dbraw/zinc/35/86/99/604358699.db2.gz QCSVGLPHIDUCFQ-UXHICEINSA-N 0 1 388.895 3.125 20 0 GGADMN O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCN(Cc2ccncc2Cl)CC1 ZINC000833172857 604359443 /nfs/dbraw/zinc/35/94/43/604359443.db2.gz LFYXBCFMBRBXSP-QGZVFWFLSA-N 0 1 380.275 3.332 20 0 GGADMN O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCN(Cc2cccnc2Cl)CC1 ZINC000833173518 604362073 /nfs/dbraw/zinc/36/20/73/604362073.db2.gz SJFASRXGHBRDRD-INIZCTEOSA-N 0 1 380.275 3.332 20 0 GGADMN O=C([O-])c1ccc(OCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(Cl)c1 ZINC000833321455 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3.383 20 0 GGADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000833196244 604453556 /nfs/dbraw/zinc/45/35/56/604453556.db2.gz PIUJKJSDBVGIGH-GYXHFJGISA-N 0 1 396.459 3.383 20 0 GGADMN CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826095646 604454547 /nfs/dbraw/zinc/45/45/47/604454547.db2.gz MLYJVIMJNMIFAV-WOJBJXKFSA-N 0 1 395.503 3.412 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000826095640 604454732 /nfs/dbraw/zinc/45/47/32/604454732.db2.gz MLYJVIMJNMIFAV-PMACEKPBSA-N 0 1 395.503 3.412 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000832049071 604455494 /nfs/dbraw/zinc/45/54/94/604455494.db2.gz FEPMMDPVBWFPEH-NRFANRHFSA-N 0 1 384.476 3.037 20 0 GGADMN COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000832049071 604455495 /nfs/dbraw/zinc/45/54/95/604455495.db2.gz FEPMMDPVBWFPEH-NRFANRHFSA-N 0 1 384.476 3.037 20 0 GGADMN 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JRFUMSXOHQYOKC-JOCHJYFZSA-N 0 1 398.507 3.093 20 0 GGADMN CCOc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000833664529 604573578 /nfs/dbraw/zinc/57/35/78/604573578.db2.gz WPMSVCIOENSKMP-HXUWFJFHSA-N 0 1 397.471 3.313 20 0 GGADMN CCOc1ccc(C2=CC[N@@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000833664528 604573607 /nfs/dbraw/zinc/57/36/07/604573607.db2.gz WPMSVCIOENSKMP-FQEVSTJZSA-N 0 1 397.471 3.313 20 0 GGADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000833185333 604587603 /nfs/dbraw/zinc/58/76/03/604587603.db2.gz GRDBNHHJAJXRMW-IPMKNSEASA-N 0 1 396.491 3.160 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833615492 604606907 /nfs/dbraw/zinc/60/69/07/604606907.db2.gz FDWYMNAQIJVJCS-GOSISDBHSA-N 0 1 395.503 3.233 20 0 GGADMN C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000833551767 604617467 /nfs/dbraw/zinc/61/74/67/604617467.db2.gz VXXBYJIEYJLKSC-AWEZNQCLSA-N 0 1 398.488 3.375 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833507248 604620870 /nfs/dbraw/zinc/62/08/70/604620870.db2.gz CXJIITUKKQVQRK-KRWDZBQOSA-N 0 1 388.489 3.471 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833507248 604620873 /nfs/dbraw/zinc/62/08/73/604620873.db2.gz CXJIITUKKQVQRK-KRWDZBQOSA-N 0 1 388.489 3.471 20 0 GGADMN CC(C)Oc1cccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833507249 604621075 /nfs/dbraw/zinc/62/10/75/604621075.db2.gz CXJIITUKKQVQRK-QGZVFWFLSA-N 0 1 388.489 3.471 20 0 GGADMN CC(C)Oc1cccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833507249 604621079 /nfs/dbraw/zinc/62/10/79/604621079.db2.gz CXJIITUKKQVQRK-QGZVFWFLSA-N 0 1 388.489 3.471 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000833541181 604622452 /nfs/dbraw/zinc/62/24/52/604622452.db2.gz MBTPRZLMBNOIIZ-YLJYHZDGSA-N 0 1 396.487 3.323 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000833541180 604622568 /nfs/dbraw/zinc/62/25/68/604622568.db2.gz MBTPRZLMBNOIIZ-XLIONFOSSA-N 0 1 396.487 3.323 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538936 604622653 /nfs/dbraw/zinc/62/26/53/604622653.db2.gz DVSCDMPKAXHKBA-WBVHZDCISA-N 0 1 392.496 3.370 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833538049 604633524 /nfs/dbraw/zinc/63/35/24/604633524.db2.gz BEZJWGBOTFCHCQ-NVXWUHKLSA-N 0 1 392.496 3.227 20 0 GGADMN C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694819 604645557 /nfs/dbraw/zinc/64/55/57/604645557.db2.gz QSXAHPKKJXLKJN-INIZCTEOSA-N 0 1 392.249 3.478 20 0 GGADMN Cc1cc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc(C)c1OCC(=O)[O-] ZINC000832884318 604646895 /nfs/dbraw/zinc/64/68/95/604646895.db2.gz BYLHIPIMGQOHDN-UHFFFAOYSA-N 0 1 384.476 3.211 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833544437 604647337 /nfs/dbraw/zinc/64/73/37/604647337.db2.gz XQKGOXZEANNRSN-MPGHIAIKSA-N 0 1 392.496 3.274 20 0 GGADMN C[C@@H](Oc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1)C(=O)[O-] ZINC000833536716 604655525 /nfs/dbraw/zinc/65/55/25/604655525.db2.gz DIMWJVXQHIDGLH-UZLBHIALSA-N 0 1 382.460 3.166 20 0 GGADMN Cc1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc(C)c1OCC(=O)[O-] ZINC000833745397 604661037 /nfs/dbraw/zinc/66/10/37/604661037.db2.gz GHEYUVFRXGJRSU-HSZRJFAPSA-N 0 1 381.472 3.441 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1)C(=O)[O-] ZINC000833541381 604664483 /nfs/dbraw/zinc/66/44/83/604664483.db2.gz QNVOKUKAQAAMAD-OAHLLOKOSA-N 0 1 396.443 3.053 20 0 GGADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833543684 604664775 /nfs/dbraw/zinc/66/47/75/604664775.db2.gz URPQMFWOGSYMFN-ZBFHGGJFSA-N 0 1 378.469 3.028 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000248534838 604670003 /nfs/dbraw/zinc/67/00/03/604670003.db2.gz JQQBSHOUHFVKTI-FZQKWOKYSA-N 0 1 381.354 3.372 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000248534841 604670262 /nfs/dbraw/zinc/67/02/62/604670262.db2.gz JQQBSHOUHFVKTI-IIMNLJJBSA-N 0 1 381.354 3.372 20 0 GGADMN C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833695985 604676172 /nfs/dbraw/zinc/67/61/72/604676172.db2.gz ZMXQVHDFVPGEOR-GOSISDBHSA-N 0 1 379.382 3.357 20 0 GGADMN C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694520 604676202 /nfs/dbraw/zinc/67/62/02/604676202.db2.gz WKKMGICILKKUDZ-KRWDZBQOSA-N 0 1 394.328 3.081 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833728576 604676406 /nfs/dbraw/zinc/67/64/06/604676406.db2.gz HVUDHIQDSBNANR-SFHVURJKSA-N 0 1 399.365 3.387 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833728576 604676411 /nfs/dbraw/zinc/67/64/11/604676411.db2.gz HVUDHIQDSBNANR-SFHVURJKSA-N 0 1 399.365 3.387 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833728573 604676479 /nfs/dbraw/zinc/67/64/79/604676479.db2.gz HVUDHIQDSBNANR-GOSISDBHSA-N 0 1 399.365 3.387 20 0 GGADMN COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833728573 604676484 /nfs/dbraw/zinc/67/64/84/604676484.db2.gz HVUDHIQDSBNANR-GOSISDBHSA-N 0 1 399.365 3.387 20 0 GGADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000263492837 604677452 /nfs/dbraw/zinc/67/74/52/604677452.db2.gz IYZCQVUBLZOJPZ-JOCHJYFZSA-N 0 1 376.460 3.290 20 0 GGADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cnc2ccc(Br)cn12 ZINC000263496608 604679606 /nfs/dbraw/zinc/67/96/06/604679606.db2.gz JUQRETGMKRAFKY-DFBGVHRSSA-N 0 1 378.270 3.315 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000833544512 604683545 /nfs/dbraw/zinc/68/35/45/604683545.db2.gz ZDIIZFWWIPXYCY-DOTOQJQBSA-N 0 1 392.496 3.370 20 0 GGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000829210040 604700680 /nfs/dbraw/zinc/70/06/80/604700680.db2.gz YDIPZKKESUKDEQ-RYGJVYDSSA-N 0 1 385.508 3.180 20 0 GGADMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833635019 604733494 /nfs/dbraw/zinc/73/34/94/604733494.db2.gz NQAYKQBDOPOOKH-PBHICJAKSA-N 0 1 377.510 3.095 20 0 GGADMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833635020 604733593 /nfs/dbraw/zinc/73/35/93/604733593.db2.gz NQAYKQBDOPOOKH-RHSMWYFYSA-N 0 1 377.510 3.095 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000827449458 604739355 /nfs/dbraw/zinc/73/93/55/604739355.db2.gz KQFALFQREVGBSH-VIFPVBQESA-N 0 1 378.778 3.482 20 0 GGADMN C[C@@H](C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1)C(=O)[O-] ZINC000827449655 604742418 /nfs/dbraw/zinc/74/24/18/604742418.db2.gz NIZYTTJWOUUHRE-BTYIYWSLSA-N 0 1 398.528 3.407 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000832944007 604743836 /nfs/dbraw/zinc/74/38/36/604743836.db2.gz RFMBHLKDOWPGBK-AWEZNQCLSA-N 0 1 387.505 3.318 20 0 GGADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000832944007 604743840 /nfs/dbraw/zinc/74/38/40/604743840.db2.gz RFMBHLKDOWPGBK-AWEZNQCLSA-N 0 1 387.505 3.318 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)c(C(=O)[O-])c1C ZINC000831476607 604753641 /nfs/dbraw/zinc/75/36/41/604753641.db2.gz YRKNZBRFDORRLI-ZDUSSCGKSA-N 0 1 394.493 3.134 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833596850 604754389 /nfs/dbraw/zinc/75/43/89/604754389.db2.gz NCIRQKKAFUWJJH-LAUBAEHRSA-N 0 1 380.488 3.439 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833544491 604759052 /nfs/dbraw/zinc/75/90/52/604759052.db2.gz YQOCZWAVYXMZOZ-DOTOQJQBSA-N 0 1 377.481 3.482 20 0 GGADMN CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3F)C2)o1 ZINC000833511281 604759473 /nfs/dbraw/zinc/75/94/73/604759473.db2.gz JYVJDJALSFRQJA-MRXNPFEDSA-N 0 1 375.444 3.342 20 0 GGADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C2CC2)C2CCCC2)c(C(=O)[O-])c1C ZINC000831474684 604761617 /nfs/dbraw/zinc/76/16/17/604761617.db2.gz DDQXIHPBQFJFLA-UHFFFAOYSA-N 0 1 394.493 3.277 20 0 GGADMN Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745509 604766273 /nfs/dbraw/zinc/76/62/73/604766273.db2.gz LVSVDFHKTXNBFR-SFTDATJTSA-N 0 1 399.487 3.091 20 0 GGADMN Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745509 604766275 /nfs/dbraw/zinc/76/62/75/604766275.db2.gz LVSVDFHKTXNBFR-SFTDATJTSA-N 0 1 399.487 3.091 20 0 GGADMN C[C@@H](O)C[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000827796133 604766816 /nfs/dbraw/zinc/76/68/16/604766816.db2.gz MDNJRTDQBXWWOY-SNVBAGLBSA-N 0 1 382.869 3.018 20 0 GGADMN C[C@@H](O)C[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000827796133 604766819 /nfs/dbraw/zinc/76/68/19/604766819.db2.gz MDNJRTDQBXWWOY-SNVBAGLBSA-N 0 1 382.869 3.018 20 0 GGADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000826004611 604768788 /nfs/dbraw/zinc/76/87/88/604768788.db2.gz DKYOVRCJNVPHNB-IERDGZPVSA-N 0 1 395.503 3.293 20 0 GGADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000831230735 604770175 /nfs/dbraw/zinc/77/01/75/604770175.db2.gz JTIVONJZPUEHON-QWHCGFSZSA-N 0 1 394.493 3.134 20 0 GGADMN C[C@H](Oc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537011 604774808 /nfs/dbraw/zinc/77/48/08/604774808.db2.gz FXDOZEMHJTXERF-HGQUKEQDSA-N 0 1 377.387 3.125 20 0 GGADMN C[C@H](Oc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833537011 604774811 /nfs/dbraw/zinc/77/48/11/604774811.db2.gz FXDOZEMHJTXERF-HGQUKEQDSA-N 0 1 377.387 3.125 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000833614805 604792958 /nfs/dbraw/zinc/79/29/58/604792958.db2.gz VGHJMBFFMNXZSC-KRWDZBQOSA-N 0 1 380.488 3.476 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000833614806 604793001 /nfs/dbraw/zinc/79/30/01/604793001.db2.gz VGHJMBFFMNXZSC-QGZVFWFLSA-N 0 1 380.488 3.476 20 0 GGADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c12 ZINC000570572551 604800521 /nfs/dbraw/zinc/80/05/21/604800521.db2.gz AHUFQWXYCWFFDL-HIFRSBDPSA-N 0 1 386.521 3.459 20 0 GGADMN O=C([O-])CCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000833225717 604802206 /nfs/dbraw/zinc/80/22/06/604802206.db2.gz KKYVLXBMODBGBH-MRXNPFEDSA-N 0 1 386.414 3.154 20 0 GGADMN C[C@@H](CCNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000833514931 604815311 /nfs/dbraw/zinc/81/53/11/604815311.db2.gz GNFASFLNWNUSMP-KRWDZBQOSA-N 0 1 395.503 3.363 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000833137651 604817715 /nfs/dbraw/zinc/81/77/15/604817715.db2.gz CZLLSNHTNBKDQX-ZDUSSCGKSA-N 0 1 376.453 3.227 20 0 GGADMN O=C([O-])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000833129588 604822171 /nfs/dbraw/zinc/82/21/71/604822171.db2.gz OYGOXCXMZSUVPH-AYHJJNSGSA-N 0 1 382.435 3.449 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1cccs1 ZINC000830927851 604826267 /nfs/dbraw/zinc/82/62/67/604826267.db2.gz CIPDRLNHBUAOBD-CXAGYDPISA-N 0 1 376.453 3.398 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[N@H+]1Cc1ccccc1 ZINC000833600592 604841388 /nfs/dbraw/zinc/84/13/88/604841388.db2.gz MDAQVGADFHJMTR-IIBYNOLFSA-N 0 1 393.487 3.116 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000826885848 604847792 /nfs/dbraw/zinc/84/77/92/604847792.db2.gz KVFAEOCTWQJMSX-CYBMUJFWSA-N 0 1 399.438 3.476 20 0 GGADMN O=C([O-])Nc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000833282845 604849335 /nfs/dbraw/zinc/84/93/35/604849335.db2.gz LHGHDAXBQCQOFL-SJKOYZFVSA-N 0 1 376.432 3.396 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000737561210 604856997 /nfs/dbraw/zinc/85/69/97/604856997.db2.gz CVYZWWWQGOXYEQ-CZUORRHYSA-N 0 1 387.505 3.145 20 0 GGADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000737561210 604857000 /nfs/dbraw/zinc/85/70/00/604857000.db2.gz CVYZWWWQGOXYEQ-CZUORRHYSA-N 0 1 387.505 3.145 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000833417225 604857521 /nfs/dbraw/zinc/85/75/21/604857521.db2.gz NELLUQWYEADMKQ-MJGOQNOKSA-N 0 1 394.471 3.295 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc(Br)cc32)C1 ZINC000833418866 604866670 /nfs/dbraw/zinc/86/66/70/604866670.db2.gz BXZIEASXQNZDGM-LLVKDONJSA-N 0 1 397.269 3.137 20 0 GGADMN 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CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833505883 604946765 /nfs/dbraw/zinc/94/67/65/604946765.db2.gz WLSFRSVVOFMGSS-LJQANCHMSA-N 0 1 390.524 3.051 20 0 GGADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833746261 604946801 /nfs/dbraw/zinc/94/68/01/604946801.db2.gz WEDVZIHKDFLPML-KRWDZBQOSA-N 0 1 387.524 3.357 20 0 GGADMN Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@H](C(C)(C)C(=O)[O-])C3)C2=O)c1 ZINC000833749425 604948932 /nfs/dbraw/zinc/94/89/32/604948932.db2.gz LKGAYSVVRIOZFX-RDJZCZTQSA-N 0 1 376.472 3.452 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000652499788 604952690 /nfs/dbraw/zinc/95/26/90/604952690.db2.gz MKYRYRHCPSTTPI-GJZGRUSLSA-N 0 1 389.414 3.268 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000832777059 604962329 /nfs/dbraw/zinc/96/23/29/604962329.db2.gz BQMASYNKTSSYOC-SZMVWBNQSA-N 0 1 376.522 3.085 20 0 GGADMN 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C[NH+](C)[C@H](CNC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1Cl ZINC000830581879 604981918 /nfs/dbraw/zinc/98/19/18/604981918.db2.gz SQGRFNYNDGYKAL-CQSZACIVSA-N 0 1 396.900 3.238 20 0 GGADMN COc1cccc(Nc2nn(C[N@@H+]3CCC[C@@H]3CC(=O)[O-])c(=S)s2)c1 ZINC000832562231 604982307 /nfs/dbraw/zinc/98/23/07/604982307.db2.gz KWHDHIJGWQMREH-GFCCVEGCSA-N 0 1 380.495 3.323 20 0 GGADMN COc1cccc(Nc2nn(C[N@H+]3CCC[C@@H]3CC(=O)[O-])c(=S)s2)c1 ZINC000832562231 604982308 /nfs/dbraw/zinc/98/23/08/604982308.db2.gz KWHDHIJGWQMREH-GFCCVEGCSA-N 0 1 380.495 3.323 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000833211880 604983059 /nfs/dbraw/zinc/98/30/59/604983059.db2.gz PVORWKNJPHORLV-ZDUSSCGKSA-N 0 1 382.233 3.348 20 0 GGADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000833211880 604983062 /nfs/dbraw/zinc/98/30/62/604983062.db2.gz PVORWKNJPHORLV-ZDUSSCGKSA-N 0 1 382.233 3.348 20 0 GGADMN C[C@@H](CCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000833515687 604987221 /nfs/dbraw/zinc/98/72/21/604987221.db2.gz VLSZDXOPFIKNER-PKOBYXMFSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@@H](CCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000833515681 604987264 /nfs/dbraw/zinc/98/72/64/604987264.db2.gz VLSZDXOPFIKNER-HKUYNNGSSA-N 0 1 389.540 3.429 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000833601546 604988307 /nfs/dbraw/zinc/98/83/07/604988307.db2.gz VYCJMOIQLBFIKY-NZSAHSFTSA-N 0 1 387.524 3.182 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000829125292 604989848 /nfs/dbraw/zinc/98/98/48/604989848.db2.gz KCKYXYRNJMPPLU-CYBMUJFWSA-N 0 1 382.530 3.182 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000833416405 604992068 /nfs/dbraw/zinc/99/20/68/604992068.db2.gz YSHLOJVQZMTRAR-QZTJIDSGSA-N 0 1 390.499 3.387 20 0 GGADMN Cc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000832949010 604997655 /nfs/dbraw/zinc/99/76/55/604997655.db2.gz LRCNJBCTQHAATH-HXUWFJFHSA-N 0 1 382.464 3.052 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000833415883 604999697 /nfs/dbraw/zinc/99/96/97/604999697.db2.gz VIBRPTYBWMGOBX-ROUUACIJSA-N 0 1 390.549 3.126 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000833415859 605000908 /nfs/dbraw/zinc/00/09/08/605000908.db2.gz RMDDAJZTCURGFP-AEFFLSMTSA-N 0 1 376.472 3.140 20 0 GGADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000833415859 605000910 /nfs/dbraw/zinc/00/09/10/605000910.db2.gz RMDDAJZTCURGFP-AEFFLSMTSA-N 0 1 376.472 3.140 20 0 GGADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000833481795 605023086 /nfs/dbraw/zinc/02/30/86/605023086.db2.gz NPQXYTOZQKRGBX-LJQANCHMSA-N 0 1 387.524 3.183 20 0 GGADMN CC(C)C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833478094 605024525 /nfs/dbraw/zinc/02/45/25/605024525.db2.gz BNRORNGJNCVIHH-JQFCIGGWSA-N 0 1 399.894 3.270 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000833693441 605065319 /nfs/dbraw/zinc/06/53/19/605065319.db2.gz XRKPMXPBNJKPTM-INIZCTEOSA-N 0 1 376.497 3.393 20 0 GGADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000833389594 605071451 /nfs/dbraw/zinc/07/14/51/605071451.db2.gz QUCHNGRMUYIYIO-IBGZPJMESA-N 0 1 399.491 3.048 20 0 GGADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000833505975 605074086 /nfs/dbraw/zinc/07/40/86/605074086.db2.gz PSAIJZFLYLLCPN-GFCCVEGCSA-N 0 1 396.228 3.361 20 0 GGADMN Cc1cc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000833745258 605075798 /nfs/dbraw/zinc/07/57/98/605075798.db2.gz ACTQZFJXNIXZEQ-INIZCTEOSA-N 0 1 377.897 3.498 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1CC(=O)[O-] ZINC000833730994 605077111 /nfs/dbraw/zinc/07/71/11/605077111.db2.gz RDOYNONGGHPFNB-IBGZPJMESA-N 0 1 382.460 3.234 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000833730994 605077114 /nfs/dbraw/zinc/07/71/14/605077114.db2.gz RDOYNONGGHPFNB-IBGZPJMESA-N 0 1 382.460 3.234 20 0 GGADMN CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccc1OCC(=O)N1CCCC1 ZINC000833644012 605079287 /nfs/dbraw/zinc/07/92/87/605079287.db2.gz KHTRUMKUPYZJQH-GOSISDBHSA-N 0 1 386.448 3.220 20 0 GGADMN CCC(CC)(CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C(=O)[O-] ZINC000424417144 605096090 /nfs/dbraw/zinc/09/60/90/605096090.db2.gz WFQHUNXLPDYLDS-UHFFFAOYSA-N 0 1 389.540 3.228 20 0 GGADMN CCC(CC)(CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C(=O)[O-] ZINC000424473665 605098961 /nfs/dbraw/zinc/09/89/61/605098961.db2.gz QPDGDNSEACWAHJ-UHFFFAOYSA-N 0 1 379.526 3.248 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833488605 605101427 /nfs/dbraw/zinc/10/14/27/605101427.db2.gz SDGNMUUJKCKKGH-SJORKVTESA-N 0 1 381.904 3.275 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833488701 605101620 /nfs/dbraw/zinc/10/16/20/605101620.db2.gz UFYVEAFGLACVPV-CYBMUJFWSA-N 0 1 385.411 3.228 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000833625043 605103291 /nfs/dbraw/zinc/10/32/91/605103291.db2.gz VWSUZANZCKGQOB-KWCYVHTRSA-N 0 1 385.291 3.104 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000833622332 605109308 /nfs/dbraw/zinc/10/93/08/605109308.db2.gz OYBBEBYDEYPVBM-KCPJHIHWSA-N 0 1 385.291 3.104 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000833742310 605113330 /nfs/dbraw/zinc/11/33/30/605113330.db2.gz JJVPSFALCQVABK-AWEZNQCLSA-N 0 1 390.480 3.484 20 0 GGADMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000833742310 605113334 /nfs/dbraw/zinc/11/33/34/605113334.db2.gz JJVPSFALCQVABK-AWEZNQCLSA-N 0 1 390.480 3.484 20 0 GGADMN COc1ccc([C@@H]2[C@@H](COC(=O)C3CCC(C(=O)[O-])CC3)CC[N@H+]2C)cc1 ZINC000833731962 605118176 /nfs/dbraw/zinc/11/81/76/605118176.db2.gz FYUSJBVSTNMAMO-HTPOPCQBSA-N 0 1 375.465 3.122 20 0 GGADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000833488150 605126851 /nfs/dbraw/zinc/12/68/51/605126851.db2.gz JAPRXKMXZKDAKU-MRXNPFEDSA-N 0 1 398.507 3.054 20 0 GGADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C[C@H](C)O1 ZINC000833627883 605130104 /nfs/dbraw/zinc/13/01/04/605130104.db2.gz WSYCGXWHMWOSBB-VNHYZAJKSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C[C@H](C)O1 ZINC000833627883 605130107 /nfs/dbraw/zinc/13/01/07/605130107.db2.gz WSYCGXWHMWOSBB-VNHYZAJKSA-N 0 1 395.887 3.144 20 0 GGADMN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)cc2C(=O)[O-])CC[N@H+]1C ZINC000833596137 605131804 /nfs/dbraw/zinc/13/18/04/605131804.db2.gz IRIROKVYPKGNSM-PWSUYJOCSA-N 0 1 384.274 3.094 20 0 GGADMN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC[N@H+]1C ZINC000833595779 605132472 /nfs/dbraw/zinc/13/24/72/605132472.db2.gz HTBIVGCELIAXCS-ZYHUDNBSSA-N 0 1 384.274 3.094 20 0 GGADMN CCC(CC)[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1cccs1 ZINC000833642401 605138487 /nfs/dbraw/zinc/13/84/87/605138487.db2.gz NIBUWSINXIYFDB-RDTXWAMCSA-N 0 1 381.542 3.416 20 0 GGADMN O=C([O-])c1ccc(F)c(C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000833781228 605140015 /nfs/dbraw/zinc/14/00/15/605140015.db2.gz WFOOVXVSVHZBPO-INIZCTEOSA-N 0 1 382.229 3.500 20 0 GGADMN CC[N@H+]1C[C@H](C)N(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C[C@@H]1C ZINC000833658922 605145717 /nfs/dbraw/zinc/14/57/17/605145717.db2.gz WJCQYGWCNRTTQI-QWRGUYRKSA-N 0 1 388.295 3.045 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(C(=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000833593340 605147352 /nfs/dbraw/zinc/14/73/52/605147352.db2.gz WMERMNSJTMKQIW-NVXWUHKLSA-N 0 1 385.464 3.078 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(OCC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000659760889 605152570 /nfs/dbraw/zinc/15/25/70/605152570.db2.gz UKOAQSCGCBZRQJ-IEBWSBKVSA-N 0 1 396.487 3.181 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000833589655 605154677 /nfs/dbraw/zinc/15/46/77/605154677.db2.gz CRBWBZZFSYLKGX-NVXWUHKLSA-N 0 1 384.480 3.146 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000833589649 605155037 /nfs/dbraw/zinc/15/50/37/605155037.db2.gz CRBWBZZFSYLKGX-DOTOQJQBSA-N 0 1 384.480 3.146 20 0 GGADMN CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@H]1C ZINC000833658001 605159788 /nfs/dbraw/zinc/15/97/88/605159788.db2.gz PGVUCXRTBMJPDX-HUUCEWRRSA-N 0 1 379.526 3.341 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccccc1N(C)c1ccccc1 ZINC000833623042 605160645 /nfs/dbraw/zinc/16/06/45/605160645.db2.gz DCJHEOXFDDYCQL-QGZVFWFLSA-N 0 1 381.476 3.076 20 0 GGADMN CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000833636031 605162578 /nfs/dbraw/zinc/16/25/78/605162578.db2.gz FDLXSRXJJZMYKQ-BBRMVZONSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000666538889 605164842 /nfs/dbraw/zinc/16/48/42/605164842.db2.gz XDPFICUBYTVBLC-YLJYHZDGSA-N 0 1 395.503 3.485 20 0 GGADMN C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592769 605165389 /nfs/dbraw/zinc/16/53/89/605165389.db2.gz TWKRJAFFTFHALG-FXAWDEMLSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592645 605165542 /nfs/dbraw/zinc/16/55/42/605165542.db2.gz SKGXDAGAQSWOOR-RLLQIKCJSA-N 0 1 399.535 3.183 20 0 GGADMN C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592775 605165565 /nfs/dbraw/zinc/16/55/65/605165565.db2.gz TWKRJAFFTFHALG-YLJYHZDGSA-N 0 1 387.524 3.183 20 0 GGADMN C[C@@H]1C[C@H](CCNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833592648 605165796 /nfs/dbraw/zinc/16/57/96/605165796.db2.gz SKGXDAGAQSWOOR-YZGWKJHDSA-N 0 1 399.535 3.183 20 0 GGADMN Cc1[nH]c(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000833739360 605166803 /nfs/dbraw/zinc/16/68/03/605166803.db2.gz CEHLYDFUWGWOJX-KSSFIOAISA-N 0 1 383.492 3.360 20 0 GGADMN Cc1[nH]c(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000833739361 605166819 /nfs/dbraw/zinc/16/68/19/605166819.db2.gz CEHLYDFUWGWOJX-RDTXWAMCSA-N 0 1 383.492 3.360 20 0 GGADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833654367 605167272 /nfs/dbraw/zinc/16/72/72/605167272.db2.gz MGZSSASKTLIAPW-KRWDZBQOSA-N 0 1 382.464 3.156 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833654368 605167328 /nfs/dbraw/zinc/16/73/28/605167328.db2.gz MGZSSASKTLIAPW-QGZVFWFLSA-N 0 1 382.464 3.156 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833613080 605175341 /nfs/dbraw/zinc/17/53/41/605175341.db2.gz CGRFKNYOYWGKQP-OAHLLOKOSA-N 0 1 382.464 3.333 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833615225 605175481 /nfs/dbraw/zinc/17/54/81/605175481.db2.gz KZSFAHKUWPROCN-HNNXBMFYSA-N 0 1 382.464 3.476 20 0 GGADMN C[C@@H]1C[N@H+](Cc2cccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2)CCO1 ZINC000519407502 605178840 /nfs/dbraw/zinc/17/88/40/605178840.db2.gz MTJKYMVBPFPBND-CQSZACIVSA-N 0 1 385.420 3.126 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2)CCO1 ZINC000519407502 605178844 /nfs/dbraw/zinc/17/88/44/605178844.db2.gz MTJKYMVBPFPBND-CQSZACIVSA-N 0 1 385.420 3.126 20 0 GGADMN CC(C)[N@H+](Cc1ccc(NC(=O)CCNC(=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000833499802 605185797 /nfs/dbraw/zinc/18/57/97/605185797.db2.gz ZCYTUDAFRJOZHC-GOSISDBHSA-N 0 1 377.485 3.062 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000833629237 605194307 /nfs/dbraw/zinc/19/43/07/605194307.db2.gz SSELJWBBPKUVFF-SFHVURJKSA-N 0 1 395.503 3.163 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000833629237 605194312 /nfs/dbraw/zinc/19/43/12/605194312.db2.gz SSELJWBBPKUVFF-SFHVURJKSA-N 0 1 395.503 3.163 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000833629237 605194317 /nfs/dbraw/zinc/19/43/17/605194317.db2.gz SSELJWBBPKUVFF-SFHVURJKSA-N 0 1 395.503 3.163 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833463688 605202685 /nfs/dbraw/zinc/20/26/85/605202685.db2.gz PXVKYZSUIALDRX-CZUORRHYSA-N 0 1 397.313 3.059 20 0 GGADMN CC(C)N(C)C(=O)C1CC[NH+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833495751 605204665 /nfs/dbraw/zinc/20/46/65/605204665.db2.gz SQQSDSXXFACXIH-UHFFFAOYSA-N 0 1 385.464 3.119 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000833627295 605206285 /nfs/dbraw/zinc/20/62/85/605206285.db2.gz WNHUILVBFRQKJR-ZDUSSCGKSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000833627295 605206287 /nfs/dbraw/zinc/20/62/87/605206287.db2.gz WNHUILVBFRQKJR-ZDUSSCGKSA-N 0 1 399.472 3.177 20 0 GGADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000833618908 605207054 /nfs/dbraw/zinc/20/70/54/605207054.db2.gz GTVDCZSTKOYAEK-GQIGUUNPSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000833618908 605207059 /nfs/dbraw/zinc/20/70/59/605207059.db2.gz GTVDCZSTKOYAEK-GQIGUUNPSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000833618908 605207061 /nfs/dbraw/zinc/20/70/61/605207061.db2.gz GTVDCZSTKOYAEK-GQIGUUNPSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000833618910 605207066 /nfs/dbraw/zinc/20/70/66/605207066.db2.gz GTVDCZSTKOYAEK-QINHECLXSA-N 0 1 399.491 3.113 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000833618910 605207068 /nfs/dbraw/zinc/20/70/68/605207068.db2.gz GTVDCZSTKOYAEK-QINHECLXSA-N 0 1 399.491 3.113 20 0 GGADMN C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833693589 605210276 /nfs/dbraw/zinc/21/02/76/605210276.db2.gz GDEXYPUALOYCKI-ZDUSSCGKSA-N 0 1 387.274 3.031 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833436116 605221989 /nfs/dbraw/zinc/22/19/89/605221989.db2.gz DISIAVNSQMLYDG-IXDOHACOSA-N 0 1 378.444 3.425 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CC2(c3ccccc3Br)CC2)CC1 ZINC000833772882 605222769 /nfs/dbraw/zinc/22/27/69/605222769.db2.gz DOCZUSYACZTTBE-UHFFFAOYSA-N 0 1 395.341 3.400 20 0 GGADMN O=C([O-])CCCN1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000833773196 605225571 /nfs/dbraw/zinc/22/55/71/605225571.db2.gz IUKMTMZCCKNGTK-UHFFFAOYSA-N 0 1 394.943 3.307 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833499649 605233574 /nfs/dbraw/zinc/23/35/74/605233574.db2.gz LEZILXLZYNMOSL-HUUCEWRRSA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)NC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000833499649 605233578 /nfs/dbraw/zinc/23/35/78/605233578.db2.gz LEZILXLZYNMOSL-HUUCEWRRSA-N 0 1 385.867 3.165 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833469418 605234526 /nfs/dbraw/zinc/23/45/26/605234526.db2.gz WPUAXKNMBNHECG-IXDOHACOSA-N 0 1 399.894 3.411 20 0 GGADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833469418 605234528 /nfs/dbraw/zinc/23/45/28/605234528.db2.gz WPUAXKNMBNHECG-IXDOHACOSA-N 0 1 399.894 3.411 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)CCCNC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833500462 605234595 /nfs/dbraw/zinc/23/45/95/605234595.db2.gz RDYLPNAPKAQGJJ-RDJZCZTQSA-N 0 1 385.867 3.167 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)CCCNC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833500462 605234597 /nfs/dbraw/zinc/23/45/97/605234597.db2.gz RDYLPNAPKAQGJJ-RDJZCZTQSA-N 0 1 385.867 3.167 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833548597 605247028 /nfs/dbraw/zinc/24/70/28/605247028.db2.gz QCNYNDCOEHJYMP-OAHLLOKOSA-N 0 1 390.430 3.114 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000833548597 605247029 /nfs/dbraw/zinc/24/70/29/605247029.db2.gz QCNYNDCOEHJYMP-OAHLLOKOSA-N 0 1 390.430 3.114 20 0 GGADMN O=C([O-])c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000833782971 605249501 /nfs/dbraw/zinc/24/95/01/605249501.db2.gz SBLRKBCCLWLLGE-SFHVURJKSA-N 0 1 393.365 3.173 20 0 GGADMN C[C@H](CC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1)c1ccccc1C(F)(F)F ZINC000833514652 605250535 /nfs/dbraw/zinc/25/05/35/605250535.db2.gz XQDZGWLCYGDWRT-ZIAGYGMSSA-N 0 1 386.414 3.206 20 0 GGADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)C[C@H](C)O1 ZINC000833629711 605250961 /nfs/dbraw/zinc/25/09/61/605250961.db2.gz LSPKVUZFKSORNS-HOTGVXAUSA-N 0 1 382.460 3.175 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC000833618255 605254038 /nfs/dbraw/zinc/25/40/38/605254038.db2.gz MRFARUYHBJEKFK-KCPJHIHWSA-N 0 1 385.291 3.104 20 0 GGADMN CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000833455330 605261336 /nfs/dbraw/zinc/26/13/36/605261336.db2.gz XJSJEJQZLCAIPP-OAHLLOKOSA-N 0 1 386.414 3.287 20 0 GGADMN C[C@H]1C[C@H](CCNC(=O)Cc2ccccc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000833591352 605263688 /nfs/dbraw/zinc/26/36/88/605263688.db2.gz LCFSPGZUDGRNEI-HKUYNNGSSA-N 0 1 380.488 3.344 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000833463662 605264114 /nfs/dbraw/zinc/26/41/14/605264114.db2.gz PCTXAXSGWSEKCM-CJNGLKHVSA-N 0 1 386.414 3.315 20 0 GGADMN CC(C)C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC000424237555 605265681 /nfs/dbraw/zinc/26/56/81/605265681.db2.gz CYPSGNMJQIRYII-IAGOWNOFSA-N 0 1 375.513 3.356 20 0 GGADMN CC(C)C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)[O-] ZINC000424237558 605265898 /nfs/dbraw/zinc/26/58/98/605265898.db2.gz CYPSGNMJQIRYII-IRXDYDNUSA-N 0 1 375.513 3.356 20 0 GGADMN C[C@]1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC[C@@H]1C(=O)[O-] ZINC000833566618 605271884 /nfs/dbraw/zinc/27/18/84/605271884.db2.gz BQVIUSFTWLWTAS-BLIXFSHQSA-N 0 1 376.472 3.187 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620500 605275969 /nfs/dbraw/zinc/27/59/69/605275969.db2.gz FUBYJXSYANVLSE-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN C[C@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833620500 605275970 /nfs/dbraw/zinc/27/59/70/605275970.db2.gz FUBYJXSYANVLSE-LBPRGKRZSA-N 0 1 393.896 3.085 20 0 GGADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000833742805 605277263 /nfs/dbraw/zinc/27/72/63/605277263.db2.gz WIMLFTWPERNTRT-MSOLQXFVSA-N 0 1 397.519 3.335 20 0 GGADMN CN(C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000833693444 605295270 /nfs/dbraw/zinc/29/52/70/605295270.db2.gz XTVRKNCNZOATSP-KRWDZBQOSA-N 0 1 392.496 3.229 20 0 GGADMN COc1cccc(C[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C2CCC(O)CC2)c1 ZINC000833735551 605297019 /nfs/dbraw/zinc/29/70/19/605297019.db2.gz NFWBEPULNQEJHL-UHFFFAOYSA-N 0 1 399.487 3.464 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000833614605 605297324 /nfs/dbraw/zinc/29/73/24/605297324.db2.gz QIKBGFXVMLWNDF-QAPCUYQASA-N 0 1 392.496 3.275 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000833614603 605297394 /nfs/dbraw/zinc/29/73/94/605297394.db2.gz QIKBGFXVMLWNDF-CRAIPNDOSA-N 0 1 392.496 3.275 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833599327 605299240 /nfs/dbraw/zinc/29/92/40/605299240.db2.gz DGMHBAPQLORHTH-HOCLYGCPSA-N 0 1 378.469 3.028 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)O1 ZINC000833578248 605323183 /nfs/dbraw/zinc/32/31/83/605323183.db2.gz TVUBDCYHLLBUDI-SFHVURJKSA-N 0 1 387.455 3.238 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000833585188 605324634 /nfs/dbraw/zinc/32/46/34/605324634.db2.gz QPOSEEQTTYEEBV-JFIYKMOQSA-N 0 1 394.512 3.245 20 0 GGADMN O=C([O-])[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1c(F)cccc1Cl ZINC000833766238 605357224 /nfs/dbraw/zinc/35/72/24/605357224.db2.gz PEMBIYFPTSEUNH-QGZVFWFLSA-N 0 1 376.815 3.287 20 0 GGADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)O1 ZINC000833581314 605360759 /nfs/dbraw/zinc/36/07/59/605360759.db2.gz WMCITWQVZIRYCQ-INIZCTEOSA-N 0 1 393.871 3.027 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)O1 ZINC000833583500 605360799 /nfs/dbraw/zinc/36/07/99/605360799.db2.gz IDDXNLNLVOTIRY-GDBMZVCRSA-N 0 1 387.411 3.203 20 0 GGADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)O1 ZINC000833583603 605369499 /nfs/dbraw/zinc/36/94/99/605369499.db2.gz JEGMVPHUZGGJJC-GHMZBOCLSA-N 0 1 376.400 3.489 20 0 GGADMN CC(C)[N@@H+]1CCc2nc(NC(=O)Cn3cc(C(=O)[O-])c4ccccc43)sc2C1 ZINC000833502529 605373360 /nfs/dbraw/zinc/37/33/60/605373360.db2.gz RUDSHFHLQPAGHU-UHFFFAOYSA-N 0 1 398.488 3.201 20 0 GGADMN CC(C)[N@H+]1CCc2nc(NC(=O)Cn3cc(C(=O)[O-])c4ccccc43)sc2C1 ZINC000833502529 605373368 /nfs/dbraw/zinc/37/33/68/605373368.db2.gz RUDSHFHLQPAGHU-UHFFFAOYSA-N 0 1 398.488 3.201 20 0 GGADMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3c(F)cccc3Cl)C2)n1 ZINC000833755544 605374054 /nfs/dbraw/zinc/37/40/54/605374054.db2.gz QQKSUBGDQZZYQT-DYVFJYSZSA-N 0 1 380.851 3.225 20 0 GGADMN CCn1ccnc1CN1CCC[N@@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833682855 605374533 /nfs/dbraw/zinc/37/45/33/605374533.db2.gz BATRIGAKNOJZOW-SFHVURJKSA-N 0 1 394.878 3.029 20 0 GGADMN CCn1ccnc1CN1CCC[N@H+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833682855 605374538 /nfs/dbraw/zinc/37/45/38/605374538.db2.gz BATRIGAKNOJZOW-SFHVURJKSA-N 0 1 394.878 3.029 20 0 GGADMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3c(F)cccc3Cl)C2)n1 ZINC000833755543 605374804 /nfs/dbraw/zinc/37/48/04/605374804.db2.gz QQKSUBGDQZZYQT-CXAGYDPISA-N 0 1 380.851 3.225 20 0 GGADMN C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522328 605422687 /nfs/dbraw/zinc/42/26/87/605422687.db2.gz JPSNIECCGYUKJO-DYESRHJHSA-N 0 1 395.503 3.137 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3CC(=O)[O-])C[C@H]21 ZINC000833439218 605428358 /nfs/dbraw/zinc/42/83/58/605428358.db2.gz PRIXWCGSSQUSIL-GUDVDZBRSA-N 0 1 388.508 3.439 20 0 GGADMN CC(=O)NC1CCC([N@@H+](C)Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833396507 605431220 /nfs/dbraw/zinc/43/12/20/605431220.db2.gz SZLRFVLIHRQIBC-UHFFFAOYSA-N 0 1 387.505 3.387 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000635515814 605434577 /nfs/dbraw/zinc/43/45/77/605434577.db2.gz WUDROIPRUOPTGL-WMZOPIPTSA-N 0 1 383.439 3.043 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000635515814 605434580 /nfs/dbraw/zinc/43/45/80/605434580.db2.gz WUDROIPRUOPTGL-WMZOPIPTSA-N 0 1 383.439 3.043 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833693453 605441329 /nfs/dbraw/zinc/44/13/29/605441329.db2.gz YCXHCNQIOCYGPE-IBGZPJMESA-N 0 1 387.524 3.185 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833693454 605441667 /nfs/dbraw/zinc/44/16/67/605441667.db2.gz YCXHCNQIOCYGPE-LJQANCHMSA-N 0 1 387.524 3.185 20 0 GGADMN CC1([C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Br)c3)C2)OCCO1 ZINC000833563811 605441884 /nfs/dbraw/zinc/44/18/84/605441884.db2.gz HVIIJFUCQWIYTQ-ZFWWWQNUSA-N 0 1 384.270 3.050 20 0 GGADMN CC1([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(Br)c3)C2)OCCO1 ZINC000833563805 605441961 /nfs/dbraw/zinc/44/19/61/605441961.db2.gz HVIIJFUCQWIYTQ-DZGCQCFKSA-N 0 1 384.270 3.050 20 0 GGADMN CCc1[nH]c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)c1C(=O)[O-] ZINC000833670275 605451060 /nfs/dbraw/zinc/45/10/60/605451060.db2.gz ZZBIRRDJSALIPM-JENIJYKNSA-N 0 1 395.503 3.224 20 0 GGADMN O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000833763703 605451155 /nfs/dbraw/zinc/45/11/55/605451155.db2.gz AGYUJRPNNZQXEN-BAGYTPMASA-N 0 1 392.499 3.344 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000414652956 605455919 /nfs/dbraw/zinc/45/59/19/605455919.db2.gz YYBLUZZODQLGCX-HKUYNNGSSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000414652956 605455923 /nfs/dbraw/zinc/45/59/23/605455923.db2.gz YYBLUZZODQLGCX-HKUYNNGSSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000414652964 605456043 /nfs/dbraw/zinc/45/60/43/605456043.db2.gz YYBLUZZODQLGCX-IEBWSBKVSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000414652964 605456046 /nfs/dbraw/zinc/45/60/46/605456046.db2.gz YYBLUZZODQLGCX-IEBWSBKVSA-N 0 1 397.466 3.433 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833498618 605456233 /nfs/dbraw/zinc/45/62/33/605456233.db2.gz GLOHHJQBUJQVGO-DKSSEZFCSA-N 0 1 395.450 3.137 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833498618 605456236 /nfs/dbraw/zinc/45/62/36/605456236.db2.gz GLOHHJQBUJQVGO-DKSSEZFCSA-N 0 1 395.450 3.137 20 0 GGADMN C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833522985 605457048 /nfs/dbraw/zinc/45/70/48/605457048.db2.gz VHURAZACUWGNMD-DYESRHJHSA-N 0 1 395.503 3.137 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628482 605472755 /nfs/dbraw/zinc/47/27/55/605472755.db2.gz IUSFPVQKGMHIAU-AWEZNQCLSA-N 0 1 393.940 3.461 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628482 605472761 /nfs/dbraw/zinc/47/27/61/605472761.db2.gz IUSFPVQKGMHIAU-AWEZNQCLSA-N 0 1 393.940 3.461 20 0 GGADMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000833628482 605472767 /nfs/dbraw/zinc/47/27/67/605472767.db2.gz IUSFPVQKGMHIAU-AWEZNQCLSA-N 0 1 393.940 3.461 20 0 GGADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000833462760 605474231 /nfs/dbraw/zinc/47/42/31/605474231.db2.gz HTSOCCKNSYLYKR-UHFFFAOYSA-N 0 1 383.448 3.158 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833500323 605475167 /nfs/dbraw/zinc/47/51/67/605475167.db2.gz PVCUPSQSTMDLCX-QFBILLFUSA-N 0 1 382.451 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833500323 605475171 /nfs/dbraw/zinc/47/51/71/605475171.db2.gz PVCUPSQSTMDLCX-QFBILLFUSA-N 0 1 382.451 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000833498094 605475254 /nfs/dbraw/zinc/47/52/54/605475254.db2.gz CQBNIKUACQZXLQ-BDHCGPDFSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000833498094 605475259 /nfs/dbraw/zinc/47/52/59/605475259.db2.gz CQBNIKUACQZXLQ-BDHCGPDFSA-N 0 1 394.462 3.496 20 0 GGADMN CC(C)[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833500321 605475370 /nfs/dbraw/zinc/47/53/70/605475370.db2.gz PVCUPSQSTMDLCX-LPHOPBHVSA-N 0 1 382.451 3.496 20 0 GGADMN CC(C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833500321 605475376 /nfs/dbraw/zinc/47/53/76/605475376.db2.gz PVCUPSQSTMDLCX-LPHOPBHVSA-N 0 1 382.451 3.496 20 0 GGADMN C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833521166 605481581 /nfs/dbraw/zinc/48/15/81/605481581.db2.gz LMTQTDSPBKTBQH-QFBILLFUSA-N 0 1 381.476 3.346 20 0 GGADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000833418943 605549386 /nfs/dbraw/zinc/54/93/86/605549386.db2.gz CWRDBRDLDIMBKQ-LBPRGKRZSA-N 0 1 380.851 3.383 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833615163 605624528 /nfs/dbraw/zinc/62/45/28/605624528.db2.gz JBXCVQAHXYKVFD-HNNXBMFYSA-N 0 1 388.512 3.111 20 0 GGADMN COC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000833707882 605688037 /nfs/dbraw/zinc/68/80/37/605688037.db2.gz NEFRIGWDOZWERT-CRAIPNDOSA-N 0 1 377.481 3.091 20 0 GGADMN C[C@@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000833523000 605860151 /nfs/dbraw/zinc/86/01/51/605860151.db2.gz VLELPQKGHPPWLC-WBVHZDCISA-N 0 1 388.512 3.271 20 0 GGADMN C[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000833522998 605860340 /nfs/dbraw/zinc/86/03/40/605860340.db2.gz VLELPQKGHPPWLC-RDJZCZTQSA-N 0 1 388.512 3.271 20 0 GGADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619156 606044572 /nfs/dbraw/zinc/04/45/72/606044572.db2.gz LIWTVDRICUQWMD-ZDUSSCGKSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619156 606044578 /nfs/dbraw/zinc/04/45/78/606044578.db2.gz LIWTVDRICUQWMD-ZDUSSCGKSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619156 606044584 /nfs/dbraw/zinc/04/45/84/606044584.db2.gz LIWTVDRICUQWMD-ZDUSSCGKSA-N 0 1 389.916 3.077 20 0 GGADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619156 606044590 /nfs/dbraw/zinc/04/45/90/606044590.db2.gz LIWTVDRICUQWMD-ZDUSSCGKSA-N 0 1 389.916 3.077 20 0 GGADMN OCCCN(Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCCc2ccccc21 ZINC000823718130 606090812 /nfs/dbraw/zinc/09/08/12/606090812.db2.gz PZLHXQNYTWXZDH-HXUWFJFHSA-N 0 1 381.455 3.268 20 0 GGADMN Cc1sc(NC(=O)CN2C[C@H](c3ccccc3)C[C@H]2C)c(-c2nn[nH]n2)c1C ZINC000822556198 606111398 /nfs/dbraw/zinc/11/13/98/606111398.db2.gz ANJNUIZWRNYWOF-MLGOLLRUSA-N 0 1 396.520 3.362 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820669197 606199200 /nfs/dbraw/zinc/19/92/00/606199200.db2.gz ZROOKLGTCRRASA-WCQYABFASA-N 0 1 389.916 3.442 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820669197 606199201 /nfs/dbraw/zinc/19/92/01/606199201.db2.gz ZROOKLGTCRRASA-WCQYABFASA-N 0 1 389.916 3.442 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820669197 606199202 /nfs/dbraw/zinc/19/92/02/606199202.db2.gz ZROOKLGTCRRASA-WCQYABFASA-N 0 1 389.916 3.442 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820669197 606199203 /nfs/dbraw/zinc/19/92/03/606199203.db2.gz ZROOKLGTCRRASA-WCQYABFASA-N 0 1 389.916 3.442 20 0 GGADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820667802 606199930 /nfs/dbraw/zinc/19/99/30/606199930.db2.gz OABPEOFTERHJJQ-HIFRSBDPSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820667802 606199932 /nfs/dbraw/zinc/19/99/32/606199932.db2.gz OABPEOFTERHJJQ-HIFRSBDPSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820667802 606199934 /nfs/dbraw/zinc/19/99/34/606199934.db2.gz OABPEOFTERHJJQ-HIFRSBDPSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820667802 606199936 /nfs/dbraw/zinc/19/99/36/606199936.db2.gz OABPEOFTERHJJQ-HIFRSBDPSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(Cl)c1 ZINC000820420529 606297665 /nfs/dbraw/zinc/29/76/65/606297665.db2.gz SLKYFOVEBLACSU-QMTHXVAHSA-N 0 1 388.884 3.038 20 0 GGADMN Cc1ccc2nc(S[C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)[nH]c2c1 ZINC000822274638 606310610 /nfs/dbraw/zinc/31/06/10/606310610.db2.gz DKHFTEXDMVGSOE-CYBMUJFWSA-N 0 1 397.489 3.011 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000820294166 606408800 /nfs/dbraw/zinc/40/88/00/606408800.db2.gz RYYWGIJQKGOVOS-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820294166 606408801 /nfs/dbraw/zinc/40/88/01/606408801.db2.gz RYYWGIJQKGOVOS-JTQLQIEISA-N 0 1 378.299 3.412 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(c2ccc(F)cc2)CC1 ZINC000819875654 606454276 /nfs/dbraw/zinc/45/42/76/606454276.db2.gz BBLWVUGIFNHJDN-AWEZNQCLSA-N 0 1 394.454 3.212 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821061563 606458682 /nfs/dbraw/zinc/45/86/82/606458682.db2.gz QIQNAKISIYELNE-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821061563 606458683 /nfs/dbraw/zinc/45/86/83/606458683.db2.gz QIQNAKISIYELNE-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@H+](C)CC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821061563 606458684 /nfs/dbraw/zinc/45/86/84/606458684.db2.gz QIQNAKISIYELNE-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN CCCC[N@@H+](C)CC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821061563 606458685 /nfs/dbraw/zinc/45/86/85/606458685.db2.gz QIQNAKISIYELNE-UHFFFAOYSA-N 0 1 379.512 3.363 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655770 606465545 /nfs/dbraw/zinc/46/55/45/606465545.db2.gz CBIXENYDRVZSBY-ZBFHGGJFSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655770 606465547 /nfs/dbraw/zinc/46/55/47/606465547.db2.gz CBIXENYDRVZSBY-ZBFHGGJFSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655770 606465549 /nfs/dbraw/zinc/46/55/49/606465549.db2.gz CBIXENYDRVZSBY-ZBFHGGJFSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655770 606465551 /nfs/dbraw/zinc/46/55/51/606465551.db2.gz CBIXENYDRVZSBY-ZBFHGGJFSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820759134 606467888 /nfs/dbraw/zinc/46/78/88/606467888.db2.gz HPDLGIDPCNXNBZ-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820759134 606467889 /nfs/dbraw/zinc/46/78/89/606467889.db2.gz HPDLGIDPCNXNBZ-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820759134 606467890 /nfs/dbraw/zinc/46/78/90/606467890.db2.gz HPDLGIDPCNXNBZ-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820759134 606467891 /nfs/dbraw/zinc/46/78/91/606467891.db2.gz HPDLGIDPCNXNBZ-AWEZNQCLSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761577 606470792 /nfs/dbraw/zinc/47/07/92/606470792.db2.gz XYANYPQLTJZTOL-CZUORRHYSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820761577 606470793 /nfs/dbraw/zinc/47/07/93/606470793.db2.gz XYANYPQLTJZTOL-CZUORRHYSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820761577 606470795 /nfs/dbraw/zinc/47/07/95/606470795.db2.gz XYANYPQLTJZTOL-CZUORRHYSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820761577 606470797 /nfs/dbraw/zinc/47/07/97/606470797.db2.gz XYANYPQLTJZTOL-CZUORRHYSA-N 0 1 383.887 3.238 20 0 GGADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000820722982 606522811 /nfs/dbraw/zinc/52/28/11/606522811.db2.gz SORHUODRSNDAQG-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)CC1 ZINC000820722982 606522813 /nfs/dbraw/zinc/52/28/13/606522813.db2.gz SORHUODRSNDAQG-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H](N(C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C1(C)CC1 ZINC000820308425 606527095 /nfs/dbraw/zinc/52/70/95/606527095.db2.gz URHREIXBHSUNBA-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN CCN(C(=O)c1cc(-c2nn[nH]n2)cs1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000821154837 606538851 /nfs/dbraw/zinc/53/88/51/606538851.db2.gz STBNPBGGXYIFRI-RHSMWYFYSA-N 0 1 396.520 3.226 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)[NH2+][C@H](C)c1ccccc1 ZINC000820057282 606595473 /nfs/dbraw/zinc/59/54/73/606595473.db2.gz XIYPAPOEKBJJOO-ZBFHGGJFSA-N 0 1 398.536 3.424 20 0 GGADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)[NH2+][C@H](C)c1ccccc1 ZINC000820057282 606595475 /nfs/dbraw/zinc/59/54/75/606595475.db2.gz XIYPAPOEKBJJOO-ZBFHGGJFSA-N 0 1 398.536 3.424 20 0 GGADMN CC[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Oc1ccccc1C(F)(F)F ZINC000820907775 606610738 /nfs/dbraw/zinc/61/07/38/606610738.db2.gz HAUXRJUZPRIVAM-LLVKDONJSA-N 0 1 381.358 3.426 20 0 GGADMN Cc1ccc(CNCc2cccc(-c3nn[nH]n3)c2)c(OCC(F)(F)F)c1 ZINC000822238484 606728326 /nfs/dbraw/zinc/72/83/26/606728326.db2.gz JLQBFJVLUFTOAJ-UHFFFAOYSA-N 0 1 377.370 3.406 20 0 GGADMN OC1(C[N@H+](Cc2ccccc2)Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000823696466 606797664 /nfs/dbraw/zinc/79/76/64/606797664.db2.gz FCQKCGUKEUXTIQ-UHFFFAOYSA-N 0 1 381.455 3.313 20 0 GGADMN OC1(C[N@@H+](Cc2ccccc2)Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000823696466 606797665 /nfs/dbraw/zinc/79/76/65/606797665.db2.gz FCQKCGUKEUXTIQ-UHFFFAOYSA-N 0 1 381.455 3.313 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820668080 606875288 /nfs/dbraw/zinc/87/52/88/606875288.db2.gz PGTFZVDSJPTCNV-JQWIXIFHSA-N 0 1 375.889 3.052 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820668080 606875289 /nfs/dbraw/zinc/87/52/89/606875289.db2.gz PGTFZVDSJPTCNV-JQWIXIFHSA-N 0 1 375.889 3.052 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668080 606875290 /nfs/dbraw/zinc/87/52/90/606875290.db2.gz PGTFZVDSJPTCNV-JQWIXIFHSA-N 0 1 375.889 3.052 20 0 GGADMN C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820668080 606875291 /nfs/dbraw/zinc/87/52/91/606875291.db2.gz PGTFZVDSJPTCNV-JQWIXIFHSA-N 0 1 375.889 3.052 20 0 GGADMN Fc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[nH]n1 ZINC000822772094 606960637 /nfs/dbraw/zinc/96/06/37/606960637.db2.gz QSKFNBSTWGAFRQ-QGZVFWFLSA-N 0 1 381.411 3.114 20 0 GGADMN C[C@@](CO)(NCc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000820280689 606973809 /nfs/dbraw/zinc/97/38/09/606973809.db2.gz MJGAMGFADTXHAY-KRWDZBQOSA-N 0 1 395.360 3.022 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000823487912 606975347 /nfs/dbraw/zinc/97/53/47/606975347.db2.gz ISGNMCKYUNVGAW-OAHLLOKOSA-N 0 1 383.402 3.240 20 0 GGADMN C[C@H]1c2cc(F)cc(F)c2CCN1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000820822485 606982102 /nfs/dbraw/zinc/98/21/02/606982102.db2.gz ZELCFDZZKZRVEC-LBPRGKRZSA-N 0 1 398.417 3.093 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)o1 ZINC000820292788 607007504 /nfs/dbraw/zinc/00/75/04/607007504.db2.gz GZZKRANKIYOZLK-SECBINFHSA-N 0 1 380.221 3.082 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820292788 607007506 /nfs/dbraw/zinc/00/75/06/607007506.db2.gz GZZKRANKIYOZLK-SECBINFHSA-N 0 1 380.221 3.082 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[nH]n2)c(F)c1)N(C)C ZINC000820842277 607051285 /nfs/dbraw/zinc/05/12/85/607051285.db2.gz LOIUOFBNMSHELR-OAHLLOKOSA-N 0 1 384.415 3.077 20 0 GGADMN CN(Cc1ccc(Br)s1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821610014 607056702 /nfs/dbraw/zinc/05/67/02/607056702.db2.gz WPGRLRGOQDWELI-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN CC[C@H]1CN2CCCC[C@H]2CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821000800 607199237 /nfs/dbraw/zinc/19/92/37/607199237.db2.gz JTOOZUDGYSTKQF-KBPBESRZSA-N 0 1 389.891 3.001 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)c1ccsc1 ZINC000821580024 607203436 /nfs/dbraw/zinc/20/34/36/607203436.db2.gz WSSLCIOIDLWAIK-CQSZACIVSA-N 0 1 391.888 3.006 20 0 GGADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)cc1-c1nn[nH]n1 ZINC000826229812 607781678 /nfs/dbraw/zinc/78/16/78/607781678.db2.gz SCLNFICNNHXCOA-ZUZCIYMTSA-N 0 1 396.476 3.058 20 0 GGADMN Fc1cc(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)ccc1OC(F)F ZINC000826372264 607854004 /nfs/dbraw/zinc/85/40/04/607854004.db2.gz OWDXFDLPQRLMEE-UHFFFAOYSA-N 0 1 375.354 3.386 20 0 GGADMN c1ccc(-c2nn[nH]n2)c(COc2cccc(CNc3ccc4nn[nH]c4c3)c2)c1 ZINC000826516362 607939398 /nfs/dbraw/zinc/93/93/98/607939398.db2.gz HXULUKVEUCIPEL-UHFFFAOYSA-N 0 1 398.430 3.329 20 0 GGADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826295477 607948058 /nfs/dbraw/zinc/94/80/58/607948058.db2.gz IVVULHMSFBBACS-UHFFFAOYSA-N 0 1 385.431 3.077 20 0 GGADMN Fc1cccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1-c1nn[nH]n1 ZINC000826377225 607987508 /nfs/dbraw/zinc/98/75/08/607987508.db2.gz JQHZYFUGOJPRLO-OAHLLOKOSA-N 0 1 376.399 3.132 20 0 GGADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825439594 608122240 /nfs/dbraw/zinc/12/22/40/608122240.db2.gz GJCOXKSMGNMBPI-ZDUSSCGKSA-N 0 1 396.520 3.266 20 0 GGADMN CCn1c(NC(=O)/C=C\SCc2ccco2)nc2cc(-c3nn[nH]n3)ccc21 ZINC000825789052 608178985 /nfs/dbraw/zinc/17/89/85/608178985.db2.gz VRZVIIGCFYSXPJ-CLFYSBASSA-N 0 1 395.448 3.215 20 0 GGADMN C(=C\c1ccccc1)\CN1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000823861506 608219629 /nfs/dbraw/zinc/21/96/29/608219629.db2.gz KZTVNODBKXLZAG-DAXSKMNVSA-N 0 1 397.486 3.250 20 0 GGADMN Cc1cccc2nc(CNC(=S)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)[nH]c21 ZINC000826304371 608227632 /nfs/dbraw/zinc/22/76/32/608227632.db2.gz IQNKOLYQESFEDI-UHFFFAOYSA-N 0 1 398.883 3.191 20 0 GGADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000826441163 608270045 /nfs/dbraw/zinc/27/00/45/608270045.db2.gz QNWGBRKALIMSLJ-UHFFFAOYSA-N 0 1 384.350 3.002 20 0 GGADMN CCN1CC[C@@H](Nc2ncccc2-c2nn[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825454180 608299436 /nfs/dbraw/zinc/29/94/36/608299436.db2.gz ZPGBCYRUSJXPOX-CVEARBPZSA-N 0 1 387.850 3.302 20 0 GGADMN CS[C@H]1CCCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826227747 608316610 /nfs/dbraw/zinc/31/66/10/608316610.db2.gz WZCLTVBZGLQCJZ-INIZCTEOSA-N 0 1 383.525 3.078 20 0 GGADMN CS[C@H]1CCCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826227747 608316612 /nfs/dbraw/zinc/31/66/12/608316612.db2.gz WZCLTVBZGLQCJZ-INIZCTEOSA-N 0 1 383.525 3.078 20 0 GGADMN CS[C@H]1CCCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826227747 608316614 /nfs/dbraw/zinc/31/66/14/608316614.db2.gz WZCLTVBZGLQCJZ-INIZCTEOSA-N 0 1 383.525 3.078 20 0 GGADMN CS[C@H]1CCCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826227747 608316616 /nfs/dbraw/zinc/31/66/16/608316616.db2.gz WZCLTVBZGLQCJZ-INIZCTEOSA-N 0 1 383.525 3.078 20 0 GGADMN COc1ccc([C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2OC)cc1OC ZINC000826169330 608352592 /nfs/dbraw/zinc/35/25/92/608352592.db2.gz PEBJAFSUTSTTDT-QGZVFWFLSA-N 0 1 395.463 3.230 20 0 GGADMN CC(C)[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000824201093 608360858 /nfs/dbraw/zinc/36/08/58/608360858.db2.gz YCCZAPGGBOWKND-KRWDZBQOSA-N 0 1 382.399 3.340 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000824910132 608369432 /nfs/dbraw/zinc/36/94/32/608369432.db2.gz VQHSMXQASNZSPQ-OAGGEKHMSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000824910132 608369433 /nfs/dbraw/zinc/36/94/33/608369433.db2.gz VQHSMXQASNZSPQ-OAGGEKHMSA-N 0 1 377.496 3.257 20 0 GGADMN CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(-c2nn[n-]n2)c1F ZINC000825044370 608411254 /nfs/dbraw/zinc/41/12/54/608411254.db2.gz PCFZAXDGQDSPSO-GOSISDBHSA-N 0 1 390.850 3.392 20 0 GGADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825139090 608425991 /nfs/dbraw/zinc/42/59/91/608425991.db2.gz BLZGPTMXYYZLNR-CJNGLKHVSA-N 0 1 382.468 3.453 20 0 GGADMN COc1ccc([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2OC(F)F)cc1 ZINC000826188183 608431787 /nfs/dbraw/zinc/43/17/87/608431787.db2.gz PRJCECPANZBFFT-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN CC[C@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(Cl)c1 ZINC000825140999 608435267 /nfs/dbraw/zinc/43/52/67/608435267.db2.gz MNRITAMMQVQBBW-ZDUSSCGKSA-N 0 1 376.873 3.261 20 0 GGADMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000824323823 608437794 /nfs/dbraw/zinc/43/77/94/608437794.db2.gz BRKGRIWPMWEVHO-LBPRGKRZSA-N 0 1 386.481 3.005 20 0 GGADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000826184442 608444509 /nfs/dbraw/zinc/44/45/09/608444509.db2.gz WXWANUAHJXMVFN-LLVKDONJSA-N 0 1 375.379 3.328 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000826170102 608446703 /nfs/dbraw/zinc/44/67/03/608446703.db2.gz OIQRPQNOKUXYDI-CYBMUJFWSA-N 0 1 383.452 3.052 20 0 GGADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000824619671 608457825 /nfs/dbraw/zinc/45/78/25/608457825.db2.gz YNVASRGKLHTWJX-GFCCVEGCSA-N 0 1 380.427 3.205 20 0 GGADMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825654166 608458352 /nfs/dbraw/zinc/45/83/52/608458352.db2.gz QCHPWFFIRBNQNO-AWEZNQCLSA-N 0 1 386.481 3.006 20 0 GGADMN CC(C)[C@H](CNC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824562613 608462046 /nfs/dbraw/zinc/46/20/46/608462046.db2.gz HRXQWWWKFJVSRL-JXFKEZNVSA-N 0 1 392.507 3.073 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562364 608463582 /nfs/dbraw/zinc/46/35/82/608463582.db2.gz GGGHSSRRDXIEFW-AWEZNQCLSA-N 0 1 378.480 3.454 20 0 GGADMN C[C@@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000824624635 608472885 /nfs/dbraw/zinc/47/28/85/608472885.db2.gz AUBCOBSQOACWIZ-LLVKDONJSA-N 0 1 378.358 3.054 20 0 GGADMN C[C@@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000824624635 608472887 /nfs/dbraw/zinc/47/28/87/608472887.db2.gz AUBCOBSQOACWIZ-LLVKDONJSA-N 0 1 378.358 3.054 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(Br)cc1 ZINC000826170201 608475432 /nfs/dbraw/zinc/47/54/32/608475432.db2.gz RQRQFUWAMXXREC-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN CCSc1ccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825674595 608495184 /nfs/dbraw/zinc/49/51/84/608495184.db2.gz OOWVKZHLUJGCKR-ZDUSSCGKSA-N 0 1 382.493 3.268 20 0 GGADMN COc1ccc2cc(CN(C)Cc3cnc4ccc(-c5nn[nH]n5)cn34)ccc2c1 ZINC000826212821 608505420 /nfs/dbraw/zinc/50/54/20/608505420.db2.gz CBSRVRBLXUURAD-UHFFFAOYSA-N 0 1 399.458 3.308 20 0 GGADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1OCc1ccccn1 ZINC000825961984 608526549 /nfs/dbraw/zinc/52/65/49/608526549.db2.gz PWYYNEBWDFBOCK-UHFFFAOYSA-N 0 1 386.459 3.473 20 0 GGADMN FC(F)COc1ncccc1CN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826369859 608526947 /nfs/dbraw/zinc/52/69/47/608526947.db2.gz UBGZPFQASQRKOI-INIZCTEOSA-N 0 1 386.406 3.073 20 0 GGADMN CC(C)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1cccc(F)c1 ZINC000824167663 608534629 /nfs/dbraw/zinc/53/46/29/608534629.db2.gz RPZTVQKADZGRMA-UHFFFAOYSA-N 0 1 388.834 3.123 20 0 GGADMN CCN(Cc1cc(OC)ccc1OCOC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428150 608549319 /nfs/dbraw/zinc/54/93/19/608549319.db2.gz DJDZBCTUNCDQNQ-HNNXBMFYSA-N 0 1 397.479 3.441 20 0 GGADMN COc1cc(-c2nn[nH]n2)ccc1OCCN[C@H](C)c1c(F)cccc1Cl ZINC000826176142 608553513 /nfs/dbraw/zinc/55/35/13/608553513.db2.gz CYGXAZPJOVDBRV-LLVKDONJSA-N 0 1 391.834 3.397 20 0 GGADMN COC(=O)C(C)(C)[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccccc1 ZINC000826098540 608555078 /nfs/dbraw/zinc/55/50/78/608555078.db2.gz HWPSYYAGCSZTAZ-QGZVFWFLSA-N 0 1 383.427 3.036 20 0 GGADMN COc1ccc([C@@H](C)CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826187843 608590131 /nfs/dbraw/zinc/59/01/31/608590131.db2.gz GOBZYDALABFLIP-MGPUTAFESA-N 0 1 379.464 3.052 20 0 GGADMN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949532 608700616 /nfs/dbraw/zinc/70/06/16/608700616.db2.gz YALWXQTVNFXFEE-TZMCWYRMSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949532 608700620 /nfs/dbraw/zinc/70/06/20/608700620.db2.gz YALWXQTVNFXFEE-TZMCWYRMSA-N 0 1 392.529 3.053 20 0 GGADMN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825953703 608751679 /nfs/dbraw/zinc/75/16/79/608751679.db2.gz MGCIHCNCIGTIEZ-UHFFFAOYSA-N 0 1 392.529 3.196 20 0 GGADMN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825953703 608751682 /nfs/dbraw/zinc/75/16/82/608751682.db2.gz MGCIHCNCIGTIEZ-UHFFFAOYSA-N 0 1 392.529 3.196 20 0 GGADMN Cc1cc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c(C)s1 ZINC000826261523 608754711 /nfs/dbraw/zinc/75/47/11/608754711.db2.gz IRIISDBDOHXQCT-IINYFYTJSA-N 0 1 388.522 3.063 20 0 GGADMN C[C@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824570161 609139548 /nfs/dbraw/zinc/13/95/48/609139548.db2.gz LQCGIDKSHQZWOF-APPDUMDISA-N 0 1 395.360 3.107 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824573436 609151773 /nfs/dbraw/zinc/15/17/73/609151773.db2.gz ZHLUANXURAINKL-PSLIRLAXSA-N 0 1 379.798 3.183 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824573437 609152001 /nfs/dbraw/zinc/15/20/01/609152001.db2.gz ZHLUANXURAINKL-RFAUZJTJSA-N 0 1 379.798 3.183 20 0 GGADMN C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824600229 609153214 /nfs/dbraw/zinc/15/32/14/609153214.db2.gz YKQVNXHZMLKSHS-VIFPVBQESA-N 0 1 397.241 3.437 20 0 GGADMN Cc1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ccc1Cl ZINC000826266263 609172464 /nfs/dbraw/zinc/17/24/64/609172464.db2.gz IWKXTMMMBPGHOP-UHFFFAOYSA-N 0 1 399.886 3.016 20 0 GGADMN CC1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCCCC1 ZINC000824778130 609293605 /nfs/dbraw/zinc/29/36/05/609293605.db2.gz NSQHTYPRPZQIHM-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000824533124 609327277 /nfs/dbraw/zinc/32/72/77/609327277.db2.gz ZDCXQMSFMSEUKA-NEPJUHHUSA-N 0 1 380.427 3.302 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000824531814 609330345 /nfs/dbraw/zinc/33/03/45/609330345.db2.gz QUUHHCGGXUCXDZ-CHWSQXEVSA-N 0 1 396.426 3.374 20 0 GGADMN Fc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cc1Cl ZINC000826375449 609345253 /nfs/dbraw/zinc/34/52/53/609345253.db2.gz OCYRAIVLJDENFV-JTQLQIEISA-N 0 1 378.864 3.089 20 0 GGADMN Fc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cc1Cl ZINC000826375449 609345256 /nfs/dbraw/zinc/34/52/56/609345256.db2.gz OCYRAIVLJDENFV-JTQLQIEISA-N 0 1 378.864 3.089 20 0 GGADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000823821414 609362326 /nfs/dbraw/zinc/36/23/26/609362326.db2.gz UATIINAYRCCCQR-HUUCEWRRSA-N 0 1 394.342 3.489 20 0 GGADMN C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824671116 609433680 /nfs/dbraw/zinc/43/36/80/609433680.db2.gz XHRGWPABPVHCIM-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824671116 609433682 /nfs/dbraw/zinc/43/36/82/609433682.db2.gz XHRGWPABPVHCIM-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824671116 609433684 /nfs/dbraw/zinc/43/36/84/609433684.db2.gz XHRGWPABPVHCIM-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824671116 609433686 /nfs/dbraw/zinc/43/36/86/609433686.db2.gz XHRGWPABPVHCIM-YPMHNXCESA-N 0 1 389.916 3.299 20 0 GGADMN O=C([O-])c1ccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nn1 ZINC000522060713 650621944 /nfs/dbraw/zinc/62/19/44/650621944.db2.gz PAOQCCBMGNHKJD-UHFFFAOYSA-N 0 1 391.269 3.014 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ncc2n1CCCC2 ZINC000636556389 652808537 /nfs/dbraw/zinc/80/85/37/652808537.db2.gz WDPUWYCHHLOZEA-UHFFFAOYSA-N 0 1 387.241 3.019 20 0 GGADMN C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)sc2C1 ZINC000066249583 654897982 /nfs/dbraw/zinc/89/79/82/654897982.db2.gz CJNSZDMSPITLOC-LLVKDONJSA-N 0 1 380.491 3.230 20 0 GGADMN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000066253051 654898190 /nfs/dbraw/zinc/89/81/90/654898190.db2.gz LRCGDHGCBFKOOW-NSHDSACASA-N 0 1 382.507 3.476 20 0 GGADMN COCCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000052956961 1406241773 /nfs/dbraw/zinc/24/17/73/1406241773.db2.gz KDVNTZMADWGDMI-JOCHJYFZSA-N 0 1 398.503 3.287 20 0 GGADMN COCCCNC(=O)[C@H](C)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993749 1406251625 /nfs/dbraw/zinc/25/16/25/1406251625.db2.gz DPYJRQDYJQXPHD-ZDUSSCGKSA-N 0 1 379.888 3.202 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)CSc1ccc2c(c1)OCCO2)c1ccco1 ZINC000053002081 1406254896 /nfs/dbraw/zinc/25/48/96/1406254896.db2.gz YLJIPGLHEZCBDW-INIZCTEOSA-N 0 1 390.505 3.342 20 0 GGADMN CC(C)[C@H](C(=O)NC[C@@H](c1ccsc1)N(C)C)n1nnc(-c2ccccc2)n1 ZINC000053010329 1406259178 /nfs/dbraw/zinc/25/91/78/1406259178.db2.gz RENFCUKPFMNZFS-ZWKOTPCHSA-N 0 1 398.536 3.018 20 0 GGADMN CCCCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053020379 1406263098 /nfs/dbraw/zinc/26/30/98/1406263098.db2.gz OOXHFEUBCIASEU-CYBMUJFWSA-N 0 1 381.904 3.001 20 0 GGADMN CCc1ccsc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000053027358 1406267171 /nfs/dbraw/zinc/26/71/71/1406267171.db2.gz XQEQZURTNSPYIG-UHFFFAOYSA-N 0 1 387.549 3.261 20 0 GGADMN COCCOc1ccccc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000053028080 1406267747 /nfs/dbraw/zinc/26/77/47/1406267747.db2.gz GRUFVQGVRSODHA-UHFFFAOYSA-N 0 1 382.504 3.279 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(-n2cccn2)c1 ZINC000053041986 1406270359 /nfs/dbraw/zinc/27/03/59/1406270359.db2.gz LGHOVUYPEXRZPK-UHFFFAOYSA-N 0 1 391.456 3.274 20 0 GGADMN CCCCC[C@@H](C)NC(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000053049423 1406272617 /nfs/dbraw/zinc/27/26/17/1406272617.db2.gz LFQFDEATLSZXJG-QGZVFWFLSA-N 0 1 391.531 3.239 20 0 GGADMN C[C@@H](NC(=O)CN(C)CCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000053048872 1406273293 /nfs/dbraw/zinc/27/32/93/1406273293.db2.gz LSZIDSBNROMYRL-QGZVFWFLSA-N 0 1 379.504 3.387 20 0 GGADMN CN(CCc1ccccc1)CC(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC000053048787 1406273874 /nfs/dbraw/zinc/27/38/74/1406273874.db2.gz AKKVYGMFKFCJNZ-UHFFFAOYSA-N 0 1 391.471 3.323 20 0 GGADMN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CN(C)CCc2ccccc2)c1 ZINC000053048833 1406274198 /nfs/dbraw/zinc/27/41/98/1406274198.db2.gz HKBQQZXTBUEXOY-GOSISDBHSA-N 0 1 381.520 3.006 20 0 GGADMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000053050298 1406275057 /nfs/dbraw/zinc/27/50/57/1406275057.db2.gz OKVPYKMEIWCWLO-QGZVFWFLSA-N 0 1 391.531 3.047 20 0 GGADMN CN(CCCCc1ccccc1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000053079279 1406282688 /nfs/dbraw/zinc/28/26/88/1406282688.db2.gz YBXHPMOBXHANEV-UHFFFAOYSA-N 0 1 385.533 3.229 20 0 GGADMN CN(CCCCc1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000053079235 1406282968 /nfs/dbraw/zinc/28/29/68/1406282968.db2.gz HAXHKMFASIAZDB-UHFFFAOYSA-N 0 1 381.520 3.416 20 0 GGADMN O=C(Cn1ccc2ccc(Cl)cc21)NC1CCN(Cc2ccccn2)CC1 ZINC000053083812 1406284048 /nfs/dbraw/zinc/28/40/48/1406284048.db2.gz GJRPVFBJXJEBMT-UHFFFAOYSA-N 0 1 382.895 3.471 20 0 GGADMN CCN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000053089223 1406287569 /nfs/dbraw/zinc/28/75/69/1406287569.db2.gz DUCSHRGFWBHJFO-QGZVFWFLSA-N 0 1 389.515 3.070 20 0 GGADMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1Br ZINC000053151512 1406309888 /nfs/dbraw/zinc/30/98/88/1406309888.db2.gz ZWBXTPMNLXDOLO-LBPRGKRZSA-N 0 1 392.253 3.229 20 0 GGADMN CCOC(=O)CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000053165072 1406312924 /nfs/dbraw/zinc/31/29/24/1406312924.db2.gz DQLXIYAXWUPLDR-UHFFFAOYSA-N 0 1 390.446 3.101 20 0 GGADMN COc1ccc2nc(SCC(=O)NCCc3c(F)cccc3F)[nH]c2c1 ZINC000053185338 1406319546 /nfs/dbraw/zinc/31/95/46/1406319546.db2.gz MVPAMFQJTVWGBS-UHFFFAOYSA-N 0 1 377.416 3.301 20 0 GGADMN CC(=O)c1c(C)cc(C)c(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1C ZINC000053218548 1406329488 /nfs/dbraw/zinc/32/94/88/1406329488.db2.gz ATHDGXFCURINIP-GOSISDBHSA-N 0 1 380.554 3.108 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000053236835 1406338507 /nfs/dbraw/zinc/33/85/07/1406338507.db2.gz OTPMPVGVWZDHGF-UHFFFAOYSA-N 0 1 379.504 3.232 20 0 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Cc1[nH]c(SCC(=O)NC(=O)NCc2ccccc2)nc1Cc1ccccc1 ZINC000009946576 1398871729 /nfs/dbraw/zinc/87/17/29/1398871729.db2.gz RVEUXMLBDYKDRD-UHFFFAOYSA-N 0 1 394.500 3.427 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N(C)C)c1 ZINC000010077556 1398874507 /nfs/dbraw/zinc/87/45/07/1398874507.db2.gz APISEISYQVKVJE-SFHVURJKSA-N 0 1 389.883 3.015 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000010081841 1398874555 /nfs/dbraw/zinc/87/45/55/1398874555.db2.gz DGHBCFFMHKPGCZ-QGZVFWFLSA-N 0 1 377.847 3.145 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000010082031 1398874884 /nfs/dbraw/zinc/87/48/84/1398874884.db2.gz MDLSZCUJOYKBNK-INIZCTEOSA-N 0 1 397.372 3.202 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000010082021 1398874941 /nfs/dbraw/zinc/87/49/41/1398874941.db2.gz HRDKCDMCFMCCHS-KRWDZBQOSA-N 0 1 377.847 3.145 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000010082037 1398875026 /nfs/dbraw/zinc/87/50/26/1398875026.db2.gz MDLSZCUJOYKBNK-MRXNPFEDSA-N 0 1 397.372 3.202 20 0 GGADMN CCN(CC(=O)NCc1cccs1)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000010088248 1398875061 /nfs/dbraw/zinc/87/50/61/1398875061.db2.gz IBFNPRBHCZBWHY-LJQANCHMSA-N 0 1 385.533 3.050 20 0 GGADMN Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1ccc(Br)s1)C2 ZINC000010406788 1398890689 /nfs/dbraw/zinc/89/06/89/1398890689.db2.gz XCOYYOIWDBXRFS-LBPRGKRZSA-N 0 1 397.319 3.297 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCCCOC1CCCCC1 ZINC000010738442 1398915984 /nfs/dbraw/zinc/91/59/84/1398915984.db2.gz HRLFQCWLGXRNLS-UHFFFAOYSA-N 0 1 389.521 3.305 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000055527149 1406989624 /nfs/dbraw/zinc/98/96/24/1406989624.db2.gz SNXYEVAFFHQRGK-UHFFFAOYSA-N 0 1 382.464 3.172 20 0 GGADMN Cc1c(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)nnn1-c1ccccc1 ZINC000055529667 1406990566 /nfs/dbraw/zinc/99/05/66/1406990566.db2.gz MFXYGDFUQFTLHL-UHFFFAOYSA-N 0 1 389.503 3.232 20 0 GGADMN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1=O ZINC000010895907 1398929773 /nfs/dbraw/zinc/92/97/73/1398929773.db2.gz XLIXVORFARKOEX-AWEZNQCLSA-N 0 1 378.432 3.180 20 0 GGADMN Cc1nc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc2[nH]1 ZINC000010896099 1398929848 /nfs/dbraw/zinc/92/98/48/1398929848.db2.gz OVQBJFVODDFYBA-IBGZPJMESA-N 0 1 388.427 3.444 20 0 GGADMN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000010896274 1398929921 /nfs/dbraw/zinc/92/99/21/1398929921.db2.gz PYCDDYKZGCSWAN-HXUWFJFHSA-N 0 1 375.432 3.039 20 0 GGADMN CCCn1c2ccccc2n(CCC(=O)Nc2ccc3nc(C)[nH]c3c2)c1=O ZINC000010896620 1398929954 /nfs/dbraw/zinc/92/99/54/1398929954.db2.gz OGRKLLDRPALPEQ-UHFFFAOYSA-N 0 1 377.448 3.427 20 0 GGADMN COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000010896546 1398930133 /nfs/dbraw/zinc/93/01/33/1398930133.db2.gz HGNFIJGVHQPSPI-UHFFFAOYSA-N 0 1 394.460 3.440 20 0 GGADMN CCOc1ccc(CCC2CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)cc1 ZINC000011054874 1398947191 /nfs/dbraw/zinc/94/71/91/1398947191.db2.gz CFLITPQXMCPNAB-KRWDZBQOSA-N 0 1 389.540 3.353 20 0 GGADMN CCOc1ccc(CCC2CCN([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)cc1 ZINC000011054948 1398947256 /nfs/dbraw/zinc/94/72/56/1398947256.db2.gz KHMUEHPQSMCLCQ-INIZCTEOSA-N 0 1 387.524 3.107 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc2C[C@@H]1C ZINC000011176114 1398956673 /nfs/dbraw/zinc/95/66/73/1398956673.db2.gz DWBUWMMLKWRBSD-NSHDSACASA-N 0 1 396.415 3.386 20 0 GGADMN CCOC(=O)C1C(COC(=O)C=C(C)C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000011218218 1398962017 /nfs/dbraw/zinc/96/20/17/1398962017.db2.gz UJEFSVASMIIENB-KRWDZBQOSA-N 0 1 392.839 3.021 20 0 GGADMN CCCCC(=O)OCC1=NC(=O)N[C@H](c2ccc(Cl)cc2)C1C(=O)OCC ZINC000011297867 1398967141 /nfs/dbraw/zinc/96/71/41/1398967141.db2.gz YPWJFNCUWPKGAG-QGZVFWFLSA-N 0 1 394.855 3.245 20 0 GGADMN Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000011532720 1398990185 /nfs/dbraw/zinc/99/01/85/1398990185.db2.gz ILOLKEKAURAWCC-UHFFFAOYSA-N 0 1 398.894 3.471 20 0 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O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cccc2nsnc21 ZINC000019107728 1399325292 /nfs/dbraw/zinc/32/52/92/1399325292.db2.gz DBSYPTOMXRNPRF-UHFFFAOYSA-N 0 1 386.437 3.346 20 0 GGADMN O=C1NCCN1c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000055597834 1407020269 /nfs/dbraw/zinc/02/02/69/1407020269.db2.gz JHCVBPCPMNSIMG-UHFFFAOYSA-N 0 1 386.260 3.324 20 0 GGADMN CC1(C)[C@@H]2C[C@H]1C([C@H]1NC(=N)Nc3nc4cc5c(cc4n31)OCCCO5)=CC2 ZINC000019357060 1399330126 /nfs/dbraw/zinc/33/01/26/1399330126.db2.gz MFHBIRKQPNXOAQ-FNFWKMNBSA-N 0 1 379.464 3.238 20 0 GGADMN C/C(=C\c1ccccc1)[C@@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000019357017 1399330142 /nfs/dbraw/zinc/33/01/42/1399330142.db2.gz XXWBFNPQUFPMFB-YFPIXMDGSA-N 0 1 375.432 3.349 20 0 GGADMN COc1ccc(OC)c([C@@H](O)CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000019551126 1399331835 /nfs/dbraw/zinc/33/18/35/1399331835.db2.gz YSIXFSRGBXHZRH-FQEVSTJZSA-N 0 1 375.440 3.420 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc3c(c2)ncn3C)N2CCCC2)c1 ZINC000019666008 1399333483 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Cc1cc(C)cc(OCCNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000055602266 1407022597 /nfs/dbraw/zinc/02/25/97/1407022597.db2.gz XLGHRXSSWINDIZ-UHFFFAOYSA-N 0 1 397.500 3.261 20 0 GGADMN Cc1ccc([C@@H](CN2CCOCC2)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000020937320 1399358195 /nfs/dbraw/zinc/35/81/95/1399358195.db2.gz WYKVIZRPRQHZRS-HSZRJFAPSA-N 0 1 376.504 3.344 20 0 GGADMN O=C1OCCN1Cc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000055609396 1407023779 /nfs/dbraw/zinc/02/37/79/1407023779.db2.gz DBOFUBSXXOGDLF-UHFFFAOYSA-N 0 1 384.816 3.232 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000021417724 1399379715 /nfs/dbraw/zinc/37/97/15/1399379715.db2.gz LBQVBQLADWTAER-GOSISDBHSA-N 0 1 395.459 3.333 20 0 GGADMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 ZINC000055615309 1407024797 /nfs/dbraw/zinc/02/47/97/1407024797.db2.gz JYXRMEBDMHUHCK-UHFFFAOYSA-N 0 1 396.852 3.194 20 0 GGADMN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 ZINC000055616695 1407026233 /nfs/dbraw/zinc/02/62/33/1407026233.db2.gz KUEPKFWODPQESF-UHFFFAOYSA-N 0 1 396.852 3.276 20 0 GGADMN O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccnn1Cc1ccccc1Cl ZINC000021737764 1399404740 /nfs/dbraw/zinc/40/47/40/1399404740.db2.gz ZYZJRLNRBCEOAN-UHFFFAOYSA-N 0 1 388.884 3.311 20 0 GGADMN O=C(CSc1n[nH]c(C2CC2)n1)Nc1ccnn1Cc1ccccc1Cl ZINC000021737764 1399404743 /nfs/dbraw/zinc/40/47/43/1399404743.db2.gz ZYZJRLNRBCEOAN-UHFFFAOYSA-N 0 1 388.884 3.311 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccc(OC)cc3[nH]2)c1 ZINC000021829378 1399411947 /nfs/dbraw/zinc/41/19/47/1399411947.db2.gz OYOIHICIZMZRLF-LLVKDONJSA-N 0 1 384.461 3.050 20 0 GGADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2F)C[C@H](C)O1 ZINC000055621191 1407027798 /nfs/dbraw/zinc/02/77/98/1407027798.db2.gz IUHGJVGOEUCZDY-RYUDHWBXSA-N 0 1 399.875 3.289 20 0 GGADMN CCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000021901930 1399421330 /nfs/dbraw/zinc/42/13/30/1399421330.db2.gz SEXUJLCYFOAFTM-UHFFFAOYSA-N 0 1 376.478 3.368 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2F)C[C@@H](C)O1 ZINC000055621192 1407027935 /nfs/dbraw/zinc/02/79/35/1407027935.db2.gz IUHGJVGOEUCZDY-VXGBXAGGSA-N 0 1 399.875 3.289 20 0 GGADMN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2F)C[C@H](C)O1 ZINC000055621190 1407027953 /nfs/dbraw/zinc/02/79/53/1407027953.db2.gz IUHGJVGOEUCZDY-TXEJJXNPSA-N 0 1 399.875 3.289 20 0 GGADMN CCc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C(N)=O)cc3)cn2)c1 ZINC000055621894 1407028014 /nfs/dbraw/zinc/02/80/14/1407028014.db2.gz ANAJLGWOAYBXPM-UHFFFAOYSA-N 0 1 397.456 3.336 20 0 GGADMN CCOC(=O)C1=C(CN(C)Cc2ccsc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000022063524 1399434757 /nfs/dbraw/zinc/43/47/57/1399434757.db2.gz QWSIPBNLXLRNHZ-GOSISDBHSA-N 0 1 385.489 3.051 20 0 GGADMN CCOC(=O)C1=C(CN(C)Cc2ccsc2)NC(=O)N[C@H]1c1ccccc1 ZINC000022063527 1399434938 /nfs/dbraw/zinc/43/49/38/1399434938.db2.gz QWSIPBNLXLRNHZ-SFHVURJKSA-N 0 1 385.489 3.051 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1C ZINC000022137592 1399439608 /nfs/dbraw/zinc/43/96/08/1399439608.db2.gz QZSWTWVQIWHETF-UHFFFAOYSA-N 0 1 384.461 3.487 20 0 GGADMN CCCC1=C(C(=O)OC)[C@H](c2cc(Br)ccc2F)NC(=S)N1 ZINC000022304006 1399453458 /nfs/dbraw/zinc/45/34/58/1399453458.db2.gz OEYKQKRDUHGLNV-ZDUSSCGKSA-N 0 1 387.274 3.334 20 0 GGADMN CCCC1=C(C(=O)OC)[C@@H](c2cc(Br)ccc2F)NC(=S)N1 ZINC000022304003 1399453521 /nfs/dbraw/zinc/45/35/21/1399453521.db2.gz OEYKQKRDUHGLNV-CYBMUJFWSA-N 0 1 387.274 3.334 20 0 GGADMN CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000022415547 1399462187 /nfs/dbraw/zinc/46/21/87/1399462187.db2.gz MBLNSYUSXXWLKO-GFCCVEGCSA-N 0 1 378.450 3.186 20 0 GGADMN CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000022415549 1399462275 /nfs/dbraw/zinc/46/22/75/1399462275.db2.gz MBLNSYUSXXWLKO-LBPRGKRZSA-N 0 1 378.450 3.186 20 0 GGADMN COc1ccc(C(=O)NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000022436934 1399464132 /nfs/dbraw/zinc/46/41/32/1399464132.db2.gz LEOUXSJZBWDJNT-UHFFFAOYSA-N 0 1 375.837 3.274 20 0 GGADMN CC(C)CCOc1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 ZINC000055630655 1407030707 /nfs/dbraw/zinc/03/07/07/1407030707.db2.gz FCEXGTSGQHCPAM-SFHVURJKSA-N 0 1 393.509 3.288 20 0 GGADMN Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000022509361 1399471324 /nfs/dbraw/zinc/47/13/24/1399471324.db2.gz ZJBMJOVVHXJPQN-UHFFFAOYSA-N 0 1 380.492 3.052 20 0 GGADMN CCc1nc(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n[nH]1 ZINC000022543318 1399473780 /nfs/dbraw/zinc/47/37/80/1399473780.db2.gz JNHDQEDAGQIFSN-SFHVURJKSA-N 0 1 390.509 3.134 20 0 GGADMN CCc1n[nH]c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)n1 ZINC000022543318 1399473782 /nfs/dbraw/zinc/47/37/82/1399473782.db2.gz JNHDQEDAGQIFSN-SFHVURJKSA-N 0 1 390.509 3.134 20 0 GGADMN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000055631940 1407031651 /nfs/dbraw/zinc/03/16/51/1407031651.db2.gz HRIVLUVYWNIDPI-GFCCVEGCSA-N 0 1 392.452 3.323 20 0 GGADMN O=C(CNC(=O)C1CCCCC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000022619593 1399483275 /nfs/dbraw/zinc/48/32/75/1399483275.db2.gz BOZTYYKDSOVECL-IBGZPJMESA-N 0 1 391.943 3.290 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1Cl ZINC000055632993 1407032425 /nfs/dbraw/zinc/03/24/25/1407032425.db2.gz DQMDTNSMFZGWCF-UHFFFAOYSA-N 0 1 397.884 3.104 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc21)N1CCCC1 ZINC000022679948 1399489643 /nfs/dbraw/zinc/48/96/43/1399489643.db2.gz RYGJHWKJXPEKAY-FQEVSTJZSA-N 0 1 391.471 3.104 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(F)c1 ZINC000022682810 1399490320 /nfs/dbraw/zinc/49/03/20/1399490320.db2.gz OVICAZGDXKZSOD-KRWDZBQOSA-N 0 1 392.858 3.212 20 0 GGADMN COc1cccc([C@H](CNC(=O)COc2cc(C)ccc2Cl)N(C)C)c1 ZINC000022683257 1399490343 /nfs/dbraw/zinc/49/03/43/1399490343.db2.gz VCOWCIFVYCHXTR-SFHVURJKSA-N 0 1 376.884 3.455 20 0 GGADMN COc1cccc([C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)N(C)C)c1 ZINC000022683642 1399491211 /nfs/dbraw/zinc/49/12/11/1399491211.db2.gz BNAJCSWLVAQYSV-QFIPXVFZSA-N 0 1 392.503 3.233 20 0 GGADMN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000055632927 1407032762 /nfs/dbraw/zinc/03/27/62/1407032762.db2.gz KAYLBYPQKHPMOZ-UHFFFAOYSA-N 0 1 395.502 3.212 20 0 GGADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1 ZINC000055633419 1407032801 /nfs/dbraw/zinc/03/28/01/1407032801.db2.gz QYXYFUKXPKZKFH-UHFFFAOYSA-N 0 1 399.476 3.354 20 0 GGADMN CCCOc1c(Cl)cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1OC ZINC000022693366 1399492482 /nfs/dbraw/zinc/49/24/82/1399492482.db2.gz VNWHPOARTARZEX-INIZCTEOSA-N 0 1 398.931 3.224 20 0 GGADMN CCOc1ccc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1OCC ZINC000022724216 1399495490 /nfs/dbraw/zinc/49/54/90/1399495490.db2.gz UWBKQLCRRAAQMO-AWEZNQCLSA-N 0 1 388.445 3.282 20 0 GGADMN CCOc1ccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OCC ZINC000022724216 1399495494 /nfs/dbraw/zinc/49/54/94/1399495494.db2.gz UWBKQLCRRAAQMO-AWEZNQCLSA-N 0 1 388.445 3.282 20 0 GGADMN Cc1ccc2nc(S[C@H](C)C(=O)N3CCN(c4ccccc4O)CC3)[nH]c2c1 ZINC000022734478 1399496167 /nfs/dbraw/zinc/49/61/67/1399496167.db2.gz OFJBQDGLZMTVMH-OAHLLOKOSA-N 0 1 396.516 3.406 20 0 GGADMN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)C1 ZINC000022734493 1399496309 /nfs/dbraw/zinc/49/63/09/1399496309.db2.gz QCSYABNBWBCEGY-KGLIPLIRSA-N 0 1 375.494 3.154 20 0 GGADMN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000022766974 1399499409 /nfs/dbraw/zinc/49/94/09/1399499409.db2.gz VIJQMZXCQTZVND-FUHWJXTLSA-N 0 1 391.512 3.061 20 0 GGADMN CCOc1cc(CNCc2ccccc2OC)ccc1O[C@H](C)C(=O)N(C)C ZINC000022773000 1399500351 /nfs/dbraw/zinc/50/03/51/1399500351.db2.gz IHCYAGDZMJAOJO-MRXNPFEDSA-N 0 1 386.492 3.239 20 0 GGADMN Cc1sc2nc(CN3CCN(Cc4ccccc4C)CC3)[nH]c(=O)c2c1C ZINC000022771350 1399500424 /nfs/dbraw/zinc/50/04/24/1399500424.db2.gz UDDUJYHDHWSFLN-UHFFFAOYSA-N 0 1 382.533 3.228 20 0 GGADMN O=C1c2ccccc2C(=O)N1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022775531 1399500889 /nfs/dbraw/zinc/50/08/89/1399500889.db2.gz QOUNNGBVMXXIHK-UHFFFAOYSA-N 0 1 385.467 3.211 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000022785043 1399502829 /nfs/dbraw/zinc/50/28/29/1399502829.db2.gz VURNKDWRDZJADS-CYBMUJFWSA-N 0 1 378.419 3.339 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(Cc3ccccc3C)CC2)c1 ZINC000022819024 1399507888 /nfs/dbraw/zinc/50/78/88/1399507888.db2.gz RUKXZNUOXFOIGH-SFHVURJKSA-N 0 1 379.504 3.342 20 0 GGADMN COc1ccc2c(CN3CCN(Cc4ccccc4C)CC3)cc(=O)oc2c1 ZINC000022818154 1399507928 /nfs/dbraw/zinc/50/79/28/1399507928.db2.gz PNZFPGGNJSSKIT-UHFFFAOYSA-N 0 1 378.472 3.428 20 0 GGADMN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000022843029 1399509944 /nfs/dbraw/zinc/50/99/44/1399509944.db2.gz QYBGFZRPCFAWRB-QFIPXVFZSA-N 0 1 381.495 3.006 20 0 GGADMN O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000022843034 1399510283 /nfs/dbraw/zinc/51/02/83/1399510283.db2.gz QYBGFZRPCFAWRB-JOCHJYFZSA-N 0 1 381.495 3.006 20 0 GGADMN O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000022837004 1399510489 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CC(C)c1ccc(S(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 ZINC000023000182 1399523922 /nfs/dbraw/zinc/52/39/22/1399523922.db2.gz WBBCXKHNNVUTAO-UHFFFAOYSA-N 0 1 387.549 3.396 20 0 GGADMN O=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccncc2)CC1 ZINC000023000212 1399523942 /nfs/dbraw/zinc/52/39/42/1399523942.db2.gz GRBCBEOGXYFIGX-UHFFFAOYSA-N 0 1 393.940 3.067 20 0 GGADMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000023015665 1399525518 /nfs/dbraw/zinc/52/55/18/1399525518.db2.gz OXWXCGVTSMXQTQ-UHFFFAOYSA-N 0 1 389.429 3.391 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](NCCN2CCOCC2)c2ccccc2)cc1Cl ZINC000023083379 1399531793 /nfs/dbraw/zinc/53/17/93/1399531793.db2.gz XPXGTOLBEIHWPU-FQEVSTJZSA-N 0 1 387.911 3.250 20 0 GGADMN Cc1cccc(NC(=O)CSCC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000023132964 1399534368 /nfs/dbraw/zinc/53/43/68/1399534368.db2.gz LECCSFCSANYSQP-QGZVFWFLSA-N 0 1 391.562 3.147 20 0 GGADMN CCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](c2ccsc2)N(C)C)CC1=O ZINC000023132978 1399534456 /nfs/dbraw/zinc/53/44/56/1399534456.db2.gz UDTIGABACDZODI-HKUYNNGSSA-N 0 1 385.533 3.083 20 0 GGADMN Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000023132962 1399534561 /nfs/dbraw/zinc/53/45/61/1399534561.db2.gz LECCSFCSANYSQP-KRWDZBQOSA-N 0 1 391.562 3.147 20 0 GGADMN Cc1ccc(C=Cc2n[nH]c(SCc3cc(=O)n4ccc(C)cc4n3)n2)o1 ZINC000023223208 1399541560 /nfs/dbraw/zinc/54/15/60/1399541560.db2.gz HMYNHFQZEKHUAZ-AATRIKPKSA-N 0 1 379.445 3.485 20 0 GGADMN COC(=O)c1cccc(NC(=O)CSc2nc(C=Cc3ccc(C)o3)n[nH]2)c1 ZINC000023231405 1399542404 /nfs/dbraw/zinc/54/24/04/1399542404.db2.gz NVBTYSOGOVLZIU-CMDGGOBGSA-N 0 1 398.444 3.394 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)cc1 ZINC000023243868 1399543359 /nfs/dbraw/zinc/54/33/59/1399543359.db2.gz ABCWSGRRQYHZJZ-FQEVSTJZSA-N 0 1 395.478 3.294 20 0 GGADMN CC(=O)N1CCc2cc(C(=O)N3CCCN(Cc4ccc(C)cc4)CC3)ccc21 ZINC000023243508 1399543600 /nfs/dbraw/zinc/54/36/00/1399543600.db2.gz NSBZLTQOTUIIEA-UHFFFAOYSA-N 0 1 391.515 3.252 20 0 GGADMN 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GGADMN CCCCN1C(=O)N=NC1S[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000024302386 1399619971 /nfs/dbraw/zinc/61/99/71/1399619971.db2.gz WVUZJUUOOPTHDB-CYBMUJFWSA-N 0 1 387.509 3.105 20 0 GGADMN COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024374911 1399625201 /nfs/dbraw/zinc/62/52/01/1399625201.db2.gz OVLQRWFNTXLSNS-UHFFFAOYSA-N 0 1 389.351 3.481 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000024375604 1399625460 /nfs/dbraw/zinc/62/54/60/1399625460.db2.gz QVAJMWWBVLVCJW-UHFFFAOYSA-N 0 1 381.457 3.236 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000024427637 1399630140 /nfs/dbraw/zinc/63/01/40/1399630140.db2.gz QRIKMYDXUCHEFC-UHFFFAOYSA-N 0 1 393.465 3.035 20 0 GGADMN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000024505470 1399638762 /nfs/dbraw/zinc/63/87/62/1399638762.db2.gz DXMLHHWJOREXKV-UHFFFAOYSA-N 0 1 397.504 3.040 20 0 GGADMN COc1ccc([C@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)N2CCCC2)cc1 ZINC000024519573 1399639517 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GGADMN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCCCc1ccccc1 ZINC000027569260 1400057863 /nfs/dbraw/zinc/05/78/63/1400057863.db2.gz GBSHEFUFPNTCJJ-HXUWFJFHSA-N 0 1 379.504 3.086 20 0 GGADMN O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000027568977 1400057956 /nfs/dbraw/zinc/05/79/56/1400057956.db2.gz NGFVEPIYBPWWKK-WNZYQOIOSA-N 0 1 395.547 3.422 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000027569622 1400058771 /nfs/dbraw/zinc/05/87/71/1400058771.db2.gz AOSCCBLNUJVOPY-LJQANCHMSA-N 0 1 382.460 3.049 20 0 GGADMN COc1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c(OC)c1 ZINC000027570653 1400058862 /nfs/dbraw/zinc/05/88/62/1400058862.db2.gz SHEGNRRRCYSGGH-LJQANCHMSA-N 0 1 384.476 3.279 20 0 GGADMN COc1ccc(CC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1OC ZINC000027570786 1400058884 /nfs/dbraw/zinc/05/88/84/1400058884.db2.gz PRUAEXGOGOWPTE-LJQANCHMSA-N 0 1 398.503 3.208 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cn2ccc(C)cc2n1)N1CCCC1 ZINC000027571365 1400059159 /nfs/dbraw/zinc/05/91/59/1400059159.db2.gz YKDAGZUXSMXNNG-IBGZPJMESA-N 0 1 378.476 3.218 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN2CCN(CCc3ccccc3)CC2)cc1C ZINC000027576513 1400060301 /nfs/dbraw/zinc/06/03/01/1400060301.db2.gz UXLDGAAKIXSVNP-NRFANRHFSA-N 0 1 379.548 3.341 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000027578311 1400061915 /nfs/dbraw/zinc/06/19/15/1400061915.db2.gz APONXVSAILZOOP-JOCHJYFZSA-N 0 1 381.520 3.273 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CCOCC(F)(F)F)N1CCCCC1 ZINC000055752206 1407074464 /nfs/dbraw/zinc/07/44/64/1407074464.db2.gz TYZGRZFGMAAZDJ-MRXNPFEDSA-N 0 1 388.430 3.307 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCc1nc(-c2ccccc2)no1)c1cccc(F)c1 ZINC000027593084 1400064051 /nfs/dbraw/zinc/06/40/51/1400064051.db2.gz RRDLFJFQGJMWMU-SFHVURJKSA-N 0 1 382.439 3.227 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)c12 ZINC000027594430 1400064103 /nfs/dbraw/zinc/06/41/03/1400064103.db2.gz OVCBGLSFUZOOAF-LJQANCHMSA-N 0 1 395.482 3.326 20 0 GGADMN COc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000027592788 1400064205 /nfs/dbraw/zinc/06/42/05/1400064205.db2.gz OICNCSWWIFOPJB-GOSISDBHSA-N 0 1 382.439 3.053 20 0 GGADMN COc1cccc(OCC(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000055751998 1407074489 /nfs/dbraw/zinc/07/44/89/1407074489.db2.gz BSJHZNJUMYFLAB-NRFANRHFSA-N 0 1 398.503 3.426 20 0 GGADMN COc1ccc([C@@H](CNC(=O)Cc2cn3ccsc3n2)N2CCCCC2)cc1 ZINC000027667879 1400073685 /nfs/dbraw/zinc/07/36/85/1400073685.db2.gz HMOSHTSIDHOAMT-LJQANCHMSA-N 0 1 398.532 3.290 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000027667094 1400073826 /nfs/dbraw/zinc/07/38/26/1400073826.db2.gz ABTSPQMZWDERMA-NRFANRHFSA-N 0 1 396.487 3.439 20 0 GGADMN CCc1ccccc1N1C[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O ZINC000027675599 1400074316 /nfs/dbraw/zinc/07/43/16/1400074316.db2.gz AUMFKHOWXBTOPX-FUHWJXTLSA-N 0 1 385.533 3.083 20 0 GGADMN CCc1ccc(N2C[C@H](C(=O)NC[C@H](c3cccs3)N(C)C)CC2=O)cc1 ZINC000027675157 1400074618 /nfs/dbraw/zinc/07/46/18/1400074618.db2.gz OVLIZWFZYXYTQP-SJLPKXTDSA-N 0 1 385.533 3.083 20 0 GGADMN CCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 ZINC000027675160 1400074883 /nfs/dbraw/zinc/07/48/83/1400074883.db2.gz OVLIZWFZYXYTQP-WMZOPIPTSA-N 0 1 385.533 3.083 20 0 GGADMN Cc1ccccc1CNC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000027693175 1400077948 /nfs/dbraw/zinc/07/79/48/1400077948.db2.gz PXETYXXFMSVXST-QGZVFWFLSA-N 0 1 395.503 3.056 20 0 GGADMN Cc1csc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 ZINC000027777557 1400092252 /nfs/dbraw/zinc/09/22/52/1400092252.db2.gz SIOQCQDPNHMGBK-UHFFFAOYSA-N 0 1 387.896 3.457 20 0 GGADMN Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccc(N3CCCC3=O)cc2)no1 ZINC000027887600 1400101692 /nfs/dbraw/zinc/10/16/92/1400101692.db2.gz PYWQWNCZJLPTSO-LJQANCHMSA-N 0 1 382.464 3.276 20 0 GGADMN Cc1ccc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)cc1 ZINC000027915919 1400104919 /nfs/dbraw/zinc/10/49/19/1400104919.db2.gz HUBVZVUAYDGXGD-UHFFFAOYSA-N 0 1 396.491 3.317 20 0 GGADMN O=C(CN1CCN(CCc2ccccc2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000027958445 1400111165 /nfs/dbraw/zinc/11/11/65/1400111165.db2.gz WGJZWMBRYAIOFF-XMMPIXPASA-N 0 1 377.532 3.114 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN(CCc2ccccc2)CC1 ZINC000027959176 1400111352 /nfs/dbraw/zinc/11/13/52/1400111352.db2.gz JAYDXMUHKUEYAP-LJQANCHMSA-N 0 1 388.515 3.422 20 0 GGADMN CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)o2)cc1 ZINC000028013027 1400118413 /nfs/dbraw/zinc/11/84/13/1400118413.db2.gz QBZOEHGTTPHEEU-LJQANCHMSA-N 0 1 384.476 3.236 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000028015364 1400119326 /nfs/dbraw/zinc/11/93/26/1400119326.db2.gz YDCRMXURKOECLH-SFHVURJKSA-N 0 1 391.512 3.120 20 0 GGADMN CC(C)(CNS(=O)(=O)c1c(F)cccc1F)N1CCc2ccccc2C1 ZINC000028059813 1400124714 /nfs/dbraw/zinc/12/47/14/1400124714.db2.gz YAVANUMKOUSZKO-UHFFFAOYSA-N 0 1 380.460 3.080 20 0 GGADMN Cc1cc(N2CCN(Cc3ccccc3C)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000028069180 1400125933 /nfs/dbraw/zinc/12/59/33/1400125933.db2.gz LMFIIKJOCGRZHK-UHFFFAOYSA-N 0 1 390.413 3.082 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000028173221 1400135860 /nfs/dbraw/zinc/13/58/60/1400135860.db2.gz PZRUDITUQBVIEY-JOCHJYFZSA-N 0 1 391.515 3.376 20 0 GGADMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000028198059 1400138401 /nfs/dbraw/zinc/13/84/01/1400138401.db2.gz CEYLTZKHJFIBGJ-UHFFFAOYSA-N 0 1 399.852 3.253 20 0 GGADMN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)ccc21 ZINC000028196438 1400138654 /nfs/dbraw/zinc/13/86/54/1400138654.db2.gz WUWGLLMJCFOHKD-UHFFFAOYSA-N 0 1 396.472 3.053 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000028308507 1400148561 /nfs/dbraw/zinc/14/85/61/1400148561.db2.gz ZJDRBPLJSZSFFO-CYBMUJFWSA-N 0 1 392.883 3.381 20 0 GGADMN COc1cc(CN[C@@H](C)c2ccc(F)c(F)c2)cc(Cl)c1OCC(N)=O ZINC000028305922 1400148663 /nfs/dbraw/zinc/14/86/63/1400148663.db2.gz PHXBGOSBYMWEOW-JTQLQIEISA-N 0 1 384.810 3.342 20 0 GGADMN COc1cc(CN[C@H](C)c2cc3ccccc3o2)cc(OC)c1OCC(N)=O ZINC000028309534 1400149488 /nfs/dbraw/zinc/14/94/88/1400149488.db2.gz IDRWERKPGAHVOS-CYBMUJFWSA-N 0 1 384.432 3.165 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000028319056 1400150270 /nfs/dbraw/zinc/15/02/70/1400150270.db2.gz VFOUKMOAAVELPP-NRFANRHFSA-N 0 1 388.533 3.056 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000028338735 1400153685 /nfs/dbraw/zinc/15/36/85/1400153685.db2.gz QCZANIVFNWLGKW-KBPBESRZSA-N 0 1 385.464 3.340 20 0 GGADMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000028338174 1400153748 /nfs/dbraw/zinc/15/37/48/1400153748.db2.gz OIAJPIULTHNGLE-UONOGXRCSA-N 0 1 385.464 3.340 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000028339364 1400153884 /nfs/dbraw/zinc/15/38/84/1400153884.db2.gz WAKMOQVXYVNJGX-KGLIPLIRSA-N 0 1 382.464 3.281 20 0 GGADMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000028338177 1400153939 /nfs/dbraw/zinc/15/39/39/1400153939.db2.gz OIAJPIULTHNGLE-KBPBESRZSA-N 0 1 385.464 3.340 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)cc1OC ZINC000028338749 1400153957 /nfs/dbraw/zinc/15/39/57/1400153957.db2.gz QCZANIVFNWLGKW-KGLIPLIRSA-N 0 1 385.464 3.340 20 0 GGADMN CC[C@@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000028403197 1400161446 /nfs/dbraw/zinc/16/14/46/1400161446.db2.gz XOIPLYWMEFCKQX-CYBMUJFWSA-N 0 1 392.477 3.489 20 0 GGADMN Cc1cc(C)n(CC(=O)NNC(=O)c2sc3cccc(Cl)c3c2Cl)n1 ZINC000028417372 1400163518 /nfs/dbraw/zinc/16/35/18/1400163518.db2.gz GOCDAASKZMUVDW-UHFFFAOYSA-N 0 1 397.287 3.483 20 0 GGADMN CCOCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000028495156 1400171281 /nfs/dbraw/zinc/17/12/81/1400171281.db2.gz AFWMIBITBJKQAC-UHFFFAOYSA-N 0 1 398.868 3.124 20 0 GGADMN CCOC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000028660260 1400182020 /nfs/dbraw/zinc/18/20/20/1400182020.db2.gz BNTFGZSBCJLTLU-BBRMVZONSA-N 0 1 379.403 3.232 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2nc(C3CC3)n[nH]2)c1 ZINC000028759364 1400193288 /nfs/dbraw/zinc/19/32/88/1400193288.db2.gz SJTLHNIPJDCYDN-WDEREUQCSA-N 0 1 376.482 3.057 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2n[nH]c(C3CC3)n2)c1 ZINC000028759364 1400193293 /nfs/dbraw/zinc/19/32/93/1400193293.db2.gz SJTLHNIPJDCYDN-WDEREUQCSA-N 0 1 376.482 3.057 20 0 GGADMN Cc1cccc(CN2CCN(Cn3nc(-c4ccco4)n(C)c3=S)CC2)c1 ZINC000028784387 1400195278 /nfs/dbraw/zinc/19/52/78/1400195278.db2.gz QPCNCHIZAOONLH-UHFFFAOYSA-N 0 1 383.521 3.295 20 0 GGADMN CCc1ccccc1N1C[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)CC1=O ZINC000028789172 1400196784 /nfs/dbraw/zinc/19/67/84/1400196784.db2.gz OFEXJKRDVQHYQJ-QGZVFWFLSA-N 0 1 389.459 3.334 20 0 GGADMN CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000028790980 1400196810 /nfs/dbraw/zinc/19/68/10/1400196810.db2.gz ATEBMAJOQOPBGD-KPKJPENVSA-N 0 1 391.445 3.081 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)n2)cc1 ZINC000028789524 1400196892 /nfs/dbraw/zinc/19/68/92/1400196892.db2.gz LCQNPKLCOXBMFA-AWEZNQCLSA-N 0 1 395.850 3.425 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2oc3ccccc3c2COC)c1 ZINC000028813236 1400199390 /nfs/dbraw/zinc/19/93/90/1400199390.db2.gz NUWGEZHBLUKQBG-UHFFFAOYSA-N 0 1 389.429 3.331 20 0 GGADMN CC(C)Nc1nn(CN2CCN(CCc3ccccc3)CC2)c(=S)s1 ZINC000028812578 1400199410 /nfs/dbraw/zinc/19/94/10/1400199410.db2.gz JTJQWAVOBIVAMU-UHFFFAOYSA-N 0 1 377.583 3.312 20 0 GGADMN Cn1c(=S)n(CN2CCN(CCc3ccccc3)CC2)nc1-c1ccccc1 ZINC000028812430 1400199450 /nfs/dbraw/zinc/19/94/50/1400199450.db2.gz CBFXENWERKMGLT-UHFFFAOYSA-N 0 1 393.560 3.436 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1OC[C@@H]1CCCO1 ZINC000028837360 1400201028 /nfs/dbraw/zinc/20/10/28/1400201028.db2.gz IYGGCFUHGHIFSF-HKUYNNGSSA-N 0 1 384.476 3.404 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@@H](c3cccs3)N(C)C)C2)cc1 ZINC000028834718 1400201049 /nfs/dbraw/zinc/20/10/49/1400201049.db2.gz BBFBEAZGHLXKGK-MOPGFXCFSA-N 0 1 399.560 3.328 20 0 GGADMN COC(=O)c1cn(CC(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c2ccccc12 ZINC000028855764 1400203535 /nfs/dbraw/zinc/20/35/35/1400203535.db2.gz KLFDGVRGYSFXGT-UHFFFAOYSA-N 0 1 389.415 3.160 20 0 GGADMN CCCN(CCC(=O)N1CCc2ccccc21)CC(=O)Nc1ccccc1OC ZINC000028852893 1400203627 /nfs/dbraw/zinc/20/36/27/1400203627.db2.gz PFFJYWKQLBTREL-UHFFFAOYSA-N 0 1 395.503 3.325 20 0 GGADMN CC(C)(C)c1n[nH]c(SCc2nnc(C(=O)NCc3ccccc3)s2)n1 ZINC000028856489 1400204349 /nfs/dbraw/zinc/20/43/49/1400204349.db2.gz WKNWEJNXJNPXGW-UHFFFAOYSA-N 0 1 388.522 3.176 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)n2)cc1 ZINC000028856987 1400204408 /nfs/dbraw/zinc/20/44/08/1400204408.db2.gz UKHIBVDMIIWINS-INIZCTEOSA-N 0 1 375.432 3.310 20 0 GGADMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000028857219 1400204427 /nfs/dbraw/zinc/20/44/27/1400204427.db2.gz CEAHMFANWRODTQ-LBPRGKRZSA-N 0 1 387.509 3.348 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc1 ZINC000028857377 1400204456 /nfs/dbraw/zinc/20/44/56/1400204456.db2.gz DZFOAWFBBAOKMA-OAHLLOKOSA-N 0 1 393.422 3.219 20 0 GGADMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NC(=O)NC1CCCCC1 ZINC000028869378 1400206029 /nfs/dbraw/zinc/20/60/29/1400206029.db2.gz KWNXVFLBIVHXOT-UHFFFAOYSA-N 0 1 393.900 3.376 20 0 GGADMN CCOc1ccc(CN2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000028892890 1400208584 /nfs/dbraw/zinc/20/85/84/1400208584.db2.gz ZARRADOIDYDZRD-UHFFFAOYSA-N 0 1 385.483 3.371 20 0 GGADMN NC(=O)c1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000028926718 1400212151 /nfs/dbraw/zinc/21/21/51/1400212151.db2.gz JPFJHASKYRTRDF-UHFFFAOYSA-N 0 1 383.455 3.323 20 0 GGADMN COc1cc(CNCc2cccc(C(N)=O)c2)ccc1OCc1c(C)noc1C ZINC000028926698 1400212288 /nfs/dbraw/zinc/21/22/88/1400212288.db2.gz FKCGNRQYSRKQOA-UHFFFAOYSA-N 0 1 395.459 3.268 20 0 GGADMN COCC(=O)Nc1cccc(CNCc2ccc(OC(F)F)c(OC)c2)c1 ZINC000028960572 1400216800 /nfs/dbraw/zinc/21/68/00/1400216800.db2.gz NROIDHBTARIMII-UHFFFAOYSA-N 0 1 380.391 3.171 20 0 GGADMN COCC(=O)Nc1cccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000028961182 1400216823 /nfs/dbraw/zinc/21/68/23/1400216823.db2.gz KPEWFQWTAYUJOW-UHFFFAOYSA-N 0 1 390.867 3.376 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)n2)cc1 ZINC000028967285 1400217674 /nfs/dbraw/zinc/21/76/74/1400217674.db2.gz LIOFRPZRLAXIKS-ZDUSSCGKSA-N 0 1 397.385 3.050 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)cc2[nH]1 ZINC000028969574 1400218248 /nfs/dbraw/zinc/21/82/48/1400218248.db2.gz HBQVVMOWGXOIDX-GWCFXTLKSA-N 0 1 382.386 3.256 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)cc2[nH]1 ZINC000028969494 1400218350 /nfs/dbraw/zinc/21/83/50/1400218350.db2.gz JZGXVEXNMDWIQF-SNVBAGLBSA-N 0 1 382.386 3.210 20 0 GGADMN Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc4ccccc43)CC2)on1 ZINC000029064988 1400232123 /nfs/dbraw/zinc/23/21/23/1400232123.db2.gz HTSWNRWJXGAXOD-QGZVFWFLSA-N 0 1 378.476 3.281 20 0 GGADMN Cc1cc(NC(=O)[C@H](C)N2CCN(Cc3cccc4ccccc43)CC2)on1 ZINC000029064992 1400232204 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XIWZWKPJEPLBIX-UHFFFAOYSA-N 0 1 391.456 3.478 20 0 GGADMN COc1ccc(CN(C)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1F ZINC000043799463 1403818839 /nfs/dbraw/zinc/81/88/39/1403818839.db2.gz KQVGNAAYQKQMPS-UHFFFAOYSA-N 0 1 386.471 3.250 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCCOCc2ccccc2)CC1 ZINC000043799383 1403819125 /nfs/dbraw/zinc/81/91/25/1403819125.db2.gz QLFCAGRMMQGMNA-UHFFFAOYSA-N 0 1 382.508 3.167 20 0 GGADMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043799142 1403819164 /nfs/dbraw/zinc/81/91/64/1403819164.db2.gz YIPCYMYYWQKYTI-UHFFFAOYSA-N 0 1 383.452 3.011 20 0 GGADMN COCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043799575 1403819179 /nfs/dbraw/zinc/81/91/79/1403819179.db2.gz DZXXSLYJJXKRCI-UHFFFAOYSA-N 0 1 382.508 3.119 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)NCCCOc2ccccc2F)CC1 ZINC000043800331 1403819607 /nfs/dbraw/zinc/81/96/07/1403819607.db2.gz AEJHUSVQTHSNRT-UHFFFAOYSA-N 0 1 386.471 3.168 20 0 GGADMN CCn1c(CNC(=O)Nc2ccccc2N2CCN(C)CC2)nc2ccccc21 ZINC000043800494 1403819785 /nfs/dbraw/zinc/81/97/85/1403819785.db2.gz XXHZTSFULIWEJO-UHFFFAOYSA-N 0 1 392.507 3.130 20 0 GGADMN Cc1ccccc1OCCN(C)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000043800357 1403819814 /nfs/dbraw/zinc/81/98/14/1403819814.db2.gz SPSBAYRLEYVKNE-UHFFFAOYSA-N 0 1 382.508 3.290 20 0 GGADMN COc1ccc(/C=C/C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000043810237 1403821148 /nfs/dbraw/zinc/82/11/48/1403821148.db2.gz ILTVLTMSOGLHPO-MDWZMJQESA-N 0 1 380.488 3.452 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000043810504 1403821180 /nfs/dbraw/zinc/82/11/80/1403821180.db2.gz ACXHGBCNTYSHNV-UHFFFAOYSA-N 0 1 392.503 3.170 20 0 GGADMN COC(=O)N(C)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000056554160 1407359747 /nfs/dbraw/zinc/35/97/47/1407359747.db2.gz URPAETQSODXEOQ-GOSISDBHSA-N 0 1 388.443 3.453 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2ccccc2C(F)(F)F)C1 ZINC000043820708 1403821553 /nfs/dbraw/zinc/82/15/53/1403821553.db2.gz SSPBKCDCINADFV-MRXNPFEDSA-N 0 1 387.446 3.204 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000043822179 1403821671 /nfs/dbraw/zinc/82/16/71/1403821671.db2.gz YRZJSMPXKYLUTG-QGZVFWFLSA-N 0 1 387.446 3.204 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)Cc2csc3ccccc23)C1 ZINC000043821623 1403821698 /nfs/dbraw/zinc/82/16/98/1403821698.db2.gz VTWRXGKTAWQUOV-KRWDZBQOSA-N 0 1 375.538 3.400 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000043822182 1403821846 /nfs/dbraw/zinc/82/18/46/1403821846.db2.gz YRZJSMPXKYLUTG-KRWDZBQOSA-N 0 1 387.446 3.204 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)CC1 ZINC000043822887 1403822247 /nfs/dbraw/zinc/82/22/47/1403822247.db2.gz VOBXMMWEAIVAIL-UHFFFAOYSA-N 0 1 399.520 3.253 20 0 GGADMN CC(=O)N1CCc2cc(NC(=O)NC[C@H](C)N3CCc4ccccc4C3)ccc21 ZINC000043825280 1403823133 /nfs/dbraw/zinc/82/31/33/1403823133.db2.gz YTKRHOOOLZVRMC-INIZCTEOSA-N 0 1 392.503 3.164 20 0 GGADMN C[C@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000043843014 1403828840 /nfs/dbraw/zinc/82/88/40/1403828840.db2.gz PPVWFTAMWOLFIJ-HNNXBMFYSA-N 0 1 389.459 3.282 20 0 GGADMN Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)N[C@@H](C)C3CC3)cc12 ZINC000043842910 1403828869 /nfs/dbraw/zinc/82/88/69/1403828869.db2.gz LUFALQMKYRNVBO-NSHDSACASA-N 0 1 383.477 3.138 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1 ZINC000043846870 1403829283 /nfs/dbraw/zinc/82/92/83/1403829283.db2.gz KGCLKDRQTFMSJJ-QGZVFWFLSA-N 0 1 392.503 3.382 20 0 GGADMN C[C@@H](CNC(=O)Nc1ccccc1N1CCCC1=O)N1CCc2ccccc2C1 ZINC000043851791 1403831231 /nfs/dbraw/zinc/83/12/31/1403831231.db2.gz LBWVSDLXSMUYLZ-KRWDZBQOSA-N 0 1 392.503 3.382 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@@H](C)O1 ZINC000043850537 1403831270 /nfs/dbraw/zinc/83/12/70/1403831270.db2.gz MOGVBWAACAJQNN-IAGOWNOFSA-N 0 1 397.523 3.371 20 0 GGADMN C[C@H]1Oc2ccc(NC(=O)N3CCCN(Cc4ccccc4)CC3)cc2NC1=O ZINC000043872604 1403837930 /nfs/dbraw/zinc/83/79/30/1403837930.db2.gz ODXHPJUVUQWQLQ-MRXNPFEDSA-N 0 1 394.475 3.146 20 0 GGADMN O=C(NC1CC1)c1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000043874424 1403838405 /nfs/dbraw/zinc/83/84/05/1403838405.db2.gz SECVTMNQZJSFBT-UHFFFAOYSA-N 0 1 392.503 3.319 20 0 GGADMN C[C@H](CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)N1CCc2ccccc2C1 ZINC000043873463 1403838596 /nfs/dbraw/zinc/83/85/96/1403838596.db2.gz JLRKIYYXHOVLJU-MRXNPFEDSA-N 0 1 392.503 3.147 20 0 GGADMN COCc1ccc(CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1 ZINC000043877278 1403839886 /nfs/dbraw/zinc/83/98/86/1403839886.db2.gz OBPDKBSLIJIRPB-UHFFFAOYSA-N 0 1 382.508 3.215 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(OCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000043919160 1403845210 /nfs/dbraw/zinc/84/52/10/1403845210.db2.gz IBGQODHYVVJUTP-OKILXGFUSA-N 0 1 389.418 3.249 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000043935957 1403848787 /nfs/dbraw/zinc/84/87/87/1403848787.db2.gz JFVJOWACZSQEPD-CQSZACIVSA-N 0 1 395.931 3.334 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000043938048 1403849528 /nfs/dbraw/zinc/84/95/28/1403849528.db2.gz AEAREBMCYFGWSZ-UHFFFAOYSA-N 0 1 378.904 3.272 20 0 GGADMN CCS(=O)(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000043953082 1403852151 /nfs/dbraw/zinc/85/21/51/1403852151.db2.gz GADYJGJIFLLHSE-KRWDZBQOSA-N 0 1 391.493 3.032 20 0 GGADMN Clc1ccccc1CN1CCC(N=Nc2ccc(-n3cccn3)nn2)CC1 ZINC000044001662 1403858131 /nfs/dbraw/zinc/85/81/31/1403858131.db2.gz OSKAVDJRVGPDQO-UHFFFAOYSA-N 0 1 381.871 3.380 20 0 GGADMN CC(=O)Nc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)ccc1F ZINC000044015286 1403860498 /nfs/dbraw/zinc/86/04/98/1403860498.db2.gz UJKDJOHPBYKQEQ-CQSZACIVSA-N 0 1 384.455 3.352 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000044018027 1403861795 /nfs/dbraw/zinc/86/17/95/1403861795.db2.gz FUYVNRMAOIIQCA-OAHLLOKOSA-N 0 1 375.391 3.064 20 0 GGADMN COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1NC(C)=O ZINC000044036081 1403864874 /nfs/dbraw/zinc/86/48/74/1403864874.db2.gz NLZNBLVZPAKDCZ-KRWDZBQOSA-N 0 1 386.452 3.205 20 0 GGADMN COc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1NC(C)=O ZINC000044036085 1403864961 /nfs/dbraw/zinc/86/49/61/1403864961.db2.gz NLZNBLVZPAKDCZ-QGZVFWFLSA-N 0 1 386.452 3.205 20 0 GGADMN CCC(CC)[C@H](CNC(=S)Nc1ccc(NC(C)=O)cc1)N1CCOCC1 ZINC000044105265 1403877188 /nfs/dbraw/zinc/87/71/88/1403877188.db2.gz RLOIWHLDIOJBHO-IBGZPJMESA-N 0 1 392.569 3.068 20 0 GGADMN COCCNC(=S)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000044133643 1403882219 /nfs/dbraw/zinc/88/22/19/1403882219.db2.gz ZTLOMJCMYILSMZ-UHFFFAOYSA-N 0 1 398.576 3.250 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000044141095 1403882894 /nfs/dbraw/zinc/88/28/94/1403882894.db2.gz UXLWWKLXGIEFNH-UHFFFAOYSA-N 0 1 392.503 3.102 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1cccs1 ZINC000044141448 1403883574 /nfs/dbraw/zinc/88/35/74/1403883574.db2.gz XBBWYJVUYJAJIX-KRWDZBQOSA-N 0 1 386.521 3.409 20 0 GGADMN CCCc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1 ZINC000044147554 1403886289 /nfs/dbraw/zinc/88/62/89/1403886289.db2.gz ICXXHVCOEFTWCI-UHFFFAOYSA-N 0 1 380.414 3.339 20 0 GGADMN Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cnn(-c3cccc(C)c3)c2C)n1 ZINC000044150386 1403887815 /nfs/dbraw/zinc/88/78/15/1403887815.db2.gz YSKFGGZPOGFFIY-INIZCTEOSA-N 0 1 394.456 3.287 20 0 GGADMN Cc1csc(C(C#N)C(=O)COC(=O)c2cnn(-c3cccc(C)c3)c2C)n1 ZINC000044150386 1403887819 /nfs/dbraw/zinc/88/78/19/1403887819.db2.gz YSKFGGZPOGFFIY-INIZCTEOSA-N 0 1 394.456 3.287 20 0 GGADMN CNC(=O)Cc1ccccc1NC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000044179196 1403895401 /nfs/dbraw/zinc/89/54/01/1403895401.db2.gz FFQYZDDAVWPZQZ-UHFFFAOYSA-N 0 1 394.519 3.023 20 0 GGADMN CNC(=O)c1ccc(C)c(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000044182487 1403895998 /nfs/dbraw/zinc/89/59/98/1403895998.db2.gz KMZPYBXMGSCSSJ-GOSISDBHSA-N 0 1 384.480 3.296 20 0 GGADMN CCCOc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000044204374 1403898767 /nfs/dbraw/zinc/89/87/67/1403898767.db2.gz XUASDOPXBILRME-HXUWFJFHSA-N 0 1 383.492 3.016 20 0 GGADMN Cc1cc(C)n(-c2ccccc2NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000044208882 1403900235 /nfs/dbraw/zinc/90/02/35/1403900235.db2.gz WMISQKRILZMLPG-HDICACEKSA-N 0 1 385.512 3.110 20 0 GGADMN Cn1c2ccc(S(=O)(=O)Nc3ccc(Cl)c4cccnc34)cc2oc1=O ZINC000044257143 1403909335 /nfs/dbraw/zinc/90/93/35/1403909335.db2.gz ABESLQIJYOPEDU-UHFFFAOYSA-N 0 1 389.820 3.134 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc(Cn2cccn2)c1 ZINC000044266498 1403910747 /nfs/dbraw/zinc/91/07/47/1403910747.db2.gz WBPZDTKMCSKCDS-IBGZPJMESA-N 0 1 379.464 3.483 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc(Cn2cccn2)c1 ZINC000044266503 1403911236 /nfs/dbraw/zinc/91/12/36/1403911236.db2.gz WBPZDTKMCSKCDS-LJQANCHMSA-N 0 1 379.464 3.483 20 0 GGADMN COc1ccc(CCCNC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000056572553 1407364954 /nfs/dbraw/zinc/36/49/54/1407364954.db2.gz OEQZDBKMWTWKEF-UHFFFAOYSA-N 0 1 382.508 3.201 20 0 GGADMN COCCOc1ccc(NC(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000044300909 1403915770 /nfs/dbraw/zinc/91/57/70/1403915770.db2.gz IHMGNEMOHJPPHA-UHFFFAOYSA-N 0 1 384.480 3.108 20 0 GGADMN COCCOc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000044300989 1403915784 /nfs/dbraw/zinc/91/57/84/1403915784.db2.gz VZBQXODFIMKUPH-IBGZPJMESA-N 0 1 375.444 3.275 20 0 GGADMN Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1S(C)(=O)=O ZINC000044307875 1403917364 /nfs/dbraw/zinc/91/73/64/1403917364.db2.gz XMVJAWSMMJRTOX-UHFFFAOYSA-N 0 1 392.565 3.317 20 0 GGADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044314334 1403919741 /nfs/dbraw/zinc/91/97/41/1403919741.db2.gz VSOSCXXIQBYMRI-MOPGFXCFSA-N 0 1 397.485 3.289 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2ccc(-n3cc(C)cn3)cc2)N(C)C)c1 ZINC000044314279 1403919934 /nfs/dbraw/zinc/91/99/34/1403919934.db2.gz KUXPWWZMSDHFJR-NRFANRHFSA-N 0 1 378.476 3.222 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000044359856 1403924684 /nfs/dbraw/zinc/92/46/84/1403924684.db2.gz NFFSEJIKMHGKCF-FQEVSTJZSA-N 0 1 398.507 3.383 20 0 GGADMN CCOCCCNC(=S)Nc1cc(Cl)ccc1N1CCN(CC)CC1 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OKJCGWIYBQWFDU-GAWXUAEISA-N 0 1 386.540 3.037 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3ccc4c5c(cccc53)CC4)ccn2)CC1 ZINC000047672176 1404890649 /nfs/dbraw/zinc/89/06/49/1404890649.db2.gz VGNSRHZVUJVHRH-UHFFFAOYSA-N 0 1 386.499 3.015 20 0 GGADMN O=C(NC[C@@H](O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000047680855 1404892257 /nfs/dbraw/zinc/89/22/57/1404892257.db2.gz IRRBODWBQBJALR-HXUWFJFHSA-N 0 1 387.911 3.337 20 0 GGADMN CCOc1ccc(-c2nc(C(=O)NNC(=S)NC(C)(C)C)cs2)cc1 ZINC000047683778 1404892917 /nfs/dbraw/zinc/89/29/17/1404892917.db2.gz IVHKXUBBDFWUGD-UHFFFAOYSA-N 0 1 378.523 3.116 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000047712760 1404899218 /nfs/dbraw/zinc/89/92/18/1404899218.db2.gz NNDPNNZEIOEZEQ-HNNXBMFYSA-N 0 1 382.464 3.433 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000047715832 1404900678 /nfs/dbraw/zinc/90/06/78/1404900678.db2.gz FKJMSIOMCNTTRS-HZPDHXFCSA-N 0 1 376.501 3.046 20 0 GGADMN CCCCCNC(=O)C1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 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O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000047851462 1404971849 /nfs/dbraw/zinc/97/18/49/1404971849.db2.gz LEZVJCBWYDGKIE-FQEVSTJZSA-N 0 1 394.519 3.077 20 0 GGADMN O=C(NCc1ccc(N2CCCCC2)nc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047871522 1404978018 /nfs/dbraw/zinc/97/80/18/1404978018.db2.gz XGCBJNZJLLKIRF-IBGZPJMESA-N 0 1 397.523 3.301 20 0 GGADMN COC(=O)C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C)cc1 ZINC000047871779 1404979292 /nfs/dbraw/zinc/97/92/92/1404979292.db2.gz WIFQUICDNYSUDE-MOPGFXCFSA-N 0 1 399.491 3.329 20 0 GGADMN Cn1ccnc1[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1 ZINC000047871808 1404979410 /nfs/dbraw/zinc/97/94/10/1404979410.db2.gz FQHPYSDSCUEEFA-QUCCMNQESA-N 0 1 393.491 3.239 20 0 GGADMN Cc1csc([C@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cccc43)CCO2)n1 ZINC000822408967 1426187447 /nfs/dbraw/zinc/18/74/47/1426187447.db2.gz KMEUFHODKOQKIL-OAHLLOKOSA-N 0 1 393.476 3.066 20 0 GGADMN O=C(NCc1cnn(Cc2ccccc2)c1)NC[C@H](c1ccco1)N1CCCC1 ZINC000047882833 1404983057 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COc1ccccc1-c1n[nH]c(NC(=O)CCc2cnn(-c3ccccc3)c2)n1 ZINC000048011909 1405025013 /nfs/dbraw/zinc/02/50/13/1405025013.db2.gz PJHGKNXLMBCKQB-UHFFFAOYSA-N 0 1 388.431 3.237 20 0 GGADMN COc1ccc(OCCCC(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cc1 ZINC000048012123 1405025072 /nfs/dbraw/zinc/02/50/72/1405025072.db2.gz QGAXQZBVEZHWTE-UHFFFAOYSA-N 0 1 382.420 3.287 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1 ZINC000048011844 1405025255 /nfs/dbraw/zinc/02/52/55/1405025255.db2.gz MGSAJCUCXDRKBY-CQSZACIVSA-N 0 1 391.431 3.010 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccc(NC(=O)COC)cc2)[nH]n1 ZINC000048022063 1405028009 /nfs/dbraw/zinc/02/80/09/1405028009.db2.gz ATMLTMHWARTNDQ-UHFFFAOYSA-N 0 1 394.431 3.313 20 0 GGADMN CCN(C(=O)[C@@H](C)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000048046169 1405031110 /nfs/dbraw/zinc/03/11/10/1405031110.db2.gz RWIUZYXFMMLMGD-RBUKOAKNSA-N 0 1 385.552 3.399 20 0 GGADMN C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048045813 1405031302 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Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)COc1ccccc1 ZINC000048055629 1405036462 /nfs/dbraw/zinc/03/64/62/1405036462.db2.gz HBDCKQVRLGQSSS-SFHVURJKSA-N 0 1 382.508 3.336 20 0 GGADMN COc1ccc(NC(C)=O)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000048057877 1405036603 /nfs/dbraw/zinc/03/66/03/1405036603.db2.gz ZKJFNZFBCSFILM-GOSISDBHSA-N 0 1 388.443 3.217 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 ZINC000048059696 1405037269 /nfs/dbraw/zinc/03/72/69/1405037269.db2.gz FTEKPBWWVDQFQD-LJQANCHMSA-N 0 1 384.455 3.377 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1)N1CCCCC1 ZINC000048058545 1405037750 /nfs/dbraw/zinc/03/77/50/1405037750.db2.gz FCBGQFFGLZMBFW-LJQANCHMSA-N 0 1 396.491 3.143 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1 ZINC000048060377 1405038140 /nfs/dbraw/zinc/03/81/40/1405038140.db2.gz NUPUNHHVGWURQG-LJQANCHMSA-N 0 1 384.455 3.142 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N[C@@H](C)CCc3ccco3)CC2)c1 ZINC000048062587 1405038511 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CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000048852319 1405307876 /nfs/dbraw/zinc/30/78/76/1405307876.db2.gz UYHCHTOAQAJCTR-NRFANRHFSA-N 0 1 395.503 3.366 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000048853792 1405309092 /nfs/dbraw/zinc/30/90/92/1405309092.db2.gz PHDCHUONMWIARG-OAHLLOKOSA-N 0 1 395.887 3.432 20 0 GGADMN CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000048853713 1405309351 /nfs/dbraw/zinc/30/93/51/1405309351.db2.gz XQWNUALZVNOFNG-INIZCTEOSA-N 0 1 387.505 3.039 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc2cnccc21 ZINC000048853112 1405309457 /nfs/dbraw/zinc/30/94/57/1405309457.db2.gz RMLPKKYXFDUZSN-SFHVURJKSA-N 0 1 394.500 3.188 20 0 GGADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc2cccnc21 ZINC000048854245 1405309814 /nfs/dbraw/zinc/30/98/14/1405309814.db2.gz FQZOHADSRRYIHW-KRWDZBQOSA-N 0 1 394.500 3.188 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc2cccnc21 ZINC000048854248 1405309986 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COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)cc(C)c2)N2CCCC2)c1 ZINC000048904769 1405318912 /nfs/dbraw/zinc/31/89/12/1405318912.db2.gz DLXFJDLANXIHMN-NRFANRHFSA-N 0 1 395.503 3.204 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2C)N2CCCC2)c1 ZINC000048905199 1405319386 /nfs/dbraw/zinc/31/93/86/1405319386.db2.gz SOVDUSDPOVFKNL-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2F)N2CCCC2)c1 ZINC000048904904 1405319420 /nfs/dbraw/zinc/31/94/20/1405319420.db2.gz XNPVXQHHDKXWPD-HXUWFJFHSA-N 0 1 399.466 3.035 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2C)N2CCCC2)c1 ZINC000048904970 1405319530 /nfs/dbraw/zinc/31/95/30/1405319530.db2.gz NSTVMCVBCFDOFH-FQEVSTJZSA-N 0 1 395.503 3.204 20 0 GGADMN CCN(CC)Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)o1 ZINC000048957933 1405327882 /nfs/dbraw/zinc/32/78/82/1405327882.db2.gz BQKZPTCOKOKGNZ-LJQANCHMSA-N 0 1 383.492 3.215 20 0 GGADMN CCC[C@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000049166289 1405347769 /nfs/dbraw/zinc/34/77/69/1405347769.db2.gz RFAPLEJHOSQZPK-YADHBBJMSA-N 0 1 381.520 3.246 20 0 GGADMN O=C(Nc1ccccc1F)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000049353981 1405370475 /nfs/dbraw/zinc/37/04/75/1405370475.db2.gz POOQASODPYCVBM-UHFFFAOYSA-N 0 1 389.858 3.198 20 0 GGADMN Cc1cccc(NC(=O)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000049353899 1405370724 /nfs/dbraw/zinc/37/07/24/1405370724.db2.gz ZFRYHMHDTZWBGK-UHFFFAOYSA-N 0 1 385.895 3.368 20 0 GGADMN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000049406571 1405377219 /nfs/dbraw/zinc/37/72/19/1405377219.db2.gz SKRGJZTUEHNPSY-IBGZPJMESA-N 0 1 377.423 3.454 20 0 GGADMN Cc1cc([C@@H](C#N)C(=O)CSc2nncn2-c2cccc(Cl)c2)nc(C)n1 ZINC000049405559 1405377543 /nfs/dbraw/zinc/37/75/43/1405377543.db2.gz RPQJJICAFYQNNP-OAHLLOKOSA-N 0 1 398.879 3.296 20 0 GGADMN Cn1cc(C[NH2+]CCCOC2CCCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361559 1426934658 /nfs/dbraw/zinc/93/46/58/1426934658.db2.gz CLHJLADRASHBSU-UHFFFAOYSA-N 0 1 395.511 3.096 20 0 GGADMN COc1ccc(C2(CNS(=O)(=O)c3c(F)cccc3F)CCOCC2)cc1 ZINC000049520436 1405381994 /nfs/dbraw/zinc/38/19/94/1405381994.db2.gz BSMLWQREQNDMPM-UHFFFAOYSA-N 0 1 397.443 3.000 20 0 GGADMN Cc1ccn(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cc2)n1 ZINC000049619202 1405387153 /nfs/dbraw/zinc/38/71/53/1405387153.db2.gz OKSYYRAGGBIJBX-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN Cc1cc(NC(=O)c2cc(-c3cccnc3)on2)ccc1N1CCN(C)CC1 ZINC000049619279 1405387513 /nfs/dbraw/zinc/38/75/13/1405387513.db2.gz NMQJGDCKAJREJY-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN Cc1ccc(C)n1-c1nc(CC(=O)NCCN2CCc3ccccc3C2)cs1 ZINC000049652216 1405390397 /nfs/dbraw/zinc/39/03/97/1405390397.db2.gz CXATWWKXUXZAPH-UHFFFAOYSA-N 0 1 394.544 3.268 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000736197250 1426956080 /nfs/dbraw/zinc/95/60/80/1426956080.db2.gz MGCLBZJYFKTJCU-INIZCTEOSA-N 0 1 382.512 3.042 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N(C)Cc1c(C)noc1C)N1CCCC1 ZINC000049790216 1405417997 /nfs/dbraw/zinc/41/79/97/1405417997.db2.gz XNFJUIBMIZTACI-IBGZPJMESA-N 0 1 386.496 3.279 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCn2cccc2[C@@H]1C)N1CCCC1 ZINC000049790287 1405418219 /nfs/dbraw/zinc/41/82/19/1405418219.db2.gz ASEAZWQDIBLPEU-FXAWDEMLSA-N 0 1 382.508 3.420 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cnn(CCOC)c1)c1ccccc1Cl ZINC000049794571 1405418597 /nfs/dbraw/zinc/41/85/97/1405418597.db2.gz LTHXCCGTATWHNC-GOSISDBHSA-N 0 1 393.919 3.388 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000049798032 1405419303 /nfs/dbraw/zinc/41/93/03/1405419303.db2.gz BKCKVDBISAVVNU-UXHICEINSA-N 0 1 389.446 3.351 20 0 GGADMN COCCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000049799038 1405419334 /nfs/dbraw/zinc/41/93/34/1405419334.db2.gz GEXMRJFYNLJCPY-IBGZPJMESA-N 0 1 391.537 3.218 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NCc2cc(-c3ccccc3)no2)N(C)C)c1 ZINC000049798771 1405419568 /nfs/dbraw/zinc/41/95/68/1405419568.db2.gz PCSZLJXFGLDLPJ-OAQYLSRUSA-N 0 1 394.475 3.452 20 0 GGADMN C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000049798146 1405420019 /nfs/dbraw/zinc/42/00/19/1405420019.db2.gz XRLYGGSDLUIATR-XOBRGWDASA-N 0 1 398.482 3.374 20 0 GGADMN COCCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000049799039 1405420293 /nfs/dbraw/zinc/42/02/93/1405420293.db2.gz GEXMRJFYNLJCPY-LJQANCHMSA-N 0 1 391.537 3.218 20 0 GGADMN COC(=O)c1ccc(CN(C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 ZINC000049798171 1405420472 /nfs/dbraw/zinc/42/04/72/1405420472.db2.gz ILKDXAYJPFAEJJ-LJQANCHMSA-N 0 1 387.455 3.057 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000049798033 1405420575 /nfs/dbraw/zinc/42/05/75/1405420575.db2.gz BKCKVDBISAVVNU-VQTJNVASSA-N 0 1 389.446 3.351 20 0 GGADMN Fc1cc(Br)ccc1CCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000737644689 1427054241 /nfs/dbraw/zinc/05/42/41/1427054241.db2.gz KBTRAXSWEDWUTO-UHFFFAOYSA-N 0 1 390.260 3.491 20 0 GGADMN CC(C)Cn1nc(C(=O)NC[C@H](c2cccs2)N(C)C)c2ccccc2c1=O ZINC000049958675 1405436591 /nfs/dbraw/zinc/43/65/91/1405436591.db2.gz YGKOUBCJRHUOIU-QGZVFWFLSA-N 0 1 398.532 3.147 20 0 GGADMN CC(C)Cn1nc(C(=O)NC[C@@H](c2cccs2)N(C)C)c2ccccc2c1=O ZINC000049958674 1405436934 /nfs/dbraw/zinc/43/69/34/1405436934.db2.gz YGKOUBCJRHUOIU-KRWDZBQOSA-N 0 1 398.532 3.147 20 0 GGADMN CCOC(=O)C1=C(CN[C@H](C)c2cc(C)ccc2C)NC(=O)N[C@@H]1c1ccco1 ZINC000049972101 1405437285 /nfs/dbraw/zinc/43/72/85/1405437285.db2.gz HPZQLRHZEXGEIW-FOIQADDNSA-N 0 1 397.475 3.418 20 0 GGADMN CCOC(=O)C1=C(CN[C@@H](C)c2cc(C)ccc2C)NC(=O)N[C@@H]1c1ccco1 ZINC000049972096 1405437544 /nfs/dbraw/zinc/43/75/44/1405437544.db2.gz HPZQLRHZEXGEIW-MGPUTAFESA-N 0 1 397.475 3.418 20 0 GGADMN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(CC(C)C)CC2)o1 ZINC000049970493 1405437603 /nfs/dbraw/zinc/43/76/03/1405437603.db2.gz YDTIRMWBTKONIG-UHFFFAOYSA-N 0 1 381.480 3.474 20 0 GGADMN c1ccc2[nH]c(C3CC[NH+](CCOc4cccc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000738419039 1427079026 /nfs/dbraw/zinc/07/90/26/1427079026.db2.gz MIKFXEWSEHRIRP-UHFFFAOYSA-N 0 1 389.463 3.001 20 0 GGADMN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000050028883 1405456224 /nfs/dbraw/zinc/45/62/24/1405456224.db2.gz RVIPXWJGHUOBNF-OAQYLSRUSA-N 0 1 377.488 3.094 20 0 GGADMN CSc1nc(C(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccn21 ZINC000050027792 1405456644 /nfs/dbraw/zinc/45/66/44/1405456644.db2.gz ONLIUDLIKJCGKH-UHFFFAOYSA-N 0 1 380.517 3.404 20 0 GGADMN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000050028885 1405456671 /nfs/dbraw/zinc/45/66/71/1405456671.db2.gz RVIPXWJGHUOBNF-NRFANRHFSA-N 0 1 377.488 3.094 20 0 GGADMN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cn2)n1 ZINC000050029988 1405458067 /nfs/dbraw/zinc/45/80/67/1405458067.db2.gz IXLVIXPZXBXBCA-HXUWFJFHSA-N 0 1 375.476 3.487 20 0 GGADMN O=C(Nc1cccc(CN2CCOC2=O)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000050033145 1405459343 /nfs/dbraw/zinc/45/93/43/1405459343.db2.gz IBFRAXAKWKGIGX-FQEVSTJZSA-N 0 1 379.460 3.242 20 0 GGADMN Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)C(C)C)c1 ZINC000050041016 1405461067 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CN1CCN(Cc2ccc(NC(=O)CCCOCCc3ccccc3)cc2)CC1 ZINC000052872537 1406210668 /nfs/dbraw/zinc/21/06/68/1406210668.db2.gz DYUOPJQMQKCGPI-UHFFFAOYSA-N 0 1 395.547 3.412 20 0 GGADMN CCC(=O)Nc1cccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000052872470 1406211397 /nfs/dbraw/zinc/21/13/97/1406211397.db2.gz QGJUZMRJXUIBHC-UHFFFAOYSA-N 0 1 380.492 3.035 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909872 1406226425 /nfs/dbraw/zinc/22/64/25/1406226425.db2.gz OTZHCBVBGABEBQ-KRWDZBQOSA-N 0 1 389.540 3.331 20 0 GGADMN CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1COc2ccccc2O1 ZINC000052917781 1406228645 /nfs/dbraw/zinc/22/86/45/1406228645.db2.gz DOAFKVNJQHAPDC-KRWDZBQOSA-N 0 1 399.878 3.400 20 0 GGADMN CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1COc2ccccc2O1 ZINC000052917779 1406228957 /nfs/dbraw/zinc/22/89/57/1406228957.db2.gz DOAFKVNJQHAPDC-QGZVFWFLSA-N 0 1 399.878 3.400 20 0 GGADMN CCCN(Cc1cc(=O)n2cc(C)ccc2n1)C[C@H]1COc2ccccc2O1 ZINC000052921357 1406231018 /nfs/dbraw/zinc/23/10/18/1406231018.db2.gz UZMNBKOQLCMTEN-SFHVURJKSA-N 0 1 379.460 3.055 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)c1 ZINC000176309273 1428236293 /nfs/dbraw/zinc/23/62/93/1428236293.db2.gz FBFSZOHQEZHXSM-UHFFFAOYSA-N 0 1 379.416 3.438 20 0 GGADMN CCCN(Cc1cc(=O)n2c(C)csc2n1)C[C@H]1COc2ccccc2O1 ZINC000052927997 1406232490 /nfs/dbraw/zinc/23/24/90/1406232490.db2.gz ZXQNZODGKUIBNQ-INIZCTEOSA-N 0 1 385.489 3.116 20 0 GGADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052931553 1406234341 /nfs/dbraw/zinc/23/43/41/1406234341.db2.gz GQEXEIHCGOZDKL-HOCLYGCPSA-N 0 1 377.916 3.214 20 0 GGADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052932289 1406234698 /nfs/dbraw/zinc/23/46/98/1406234698.db2.gz PVTCRNMPOUQQKU-APWZRJJASA-N 0 1 397.519 3.190 20 0 GGADMN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CCN(CC2CC2)CC1 ZINC000056755242 1407421019 /nfs/dbraw/zinc/42/10/19/1407421019.db2.gz OTHQKZUJNTWRPS-QGZVFWFLSA-N 0 1 393.915 3.457 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(N2CCOC2=O)cc1)N1CCc2ccccc2C1 ZINC000056767085 1407424987 /nfs/dbraw/zinc/42/49/87/1407424987.db2.gz UPDCPEWJYKIEJR-MRXNPFEDSA-N 0 1 394.475 3.212 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CCO[C@@H](C)C3)cc2Cl)CC1 ZINC000056771905 1407428103 /nfs/dbraw/zinc/42/81/03/1407428103.db2.gz QEDPOALYLNTKGG-HNNXBMFYSA-N 0 1 380.920 3.125 20 0 GGADMN CC(C)CN1CCN(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 ZINC000056789218 1407433288 /nfs/dbraw/zinc/43/32/88/1407433288.db2.gz AEUBMHKGGMXZAG-UHFFFAOYSA-N 0 1 386.540 3.047 20 0 GGADMN CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000821087933 1428237880 /nfs/dbraw/zinc/23/78/80/1428237880.db2.gz HYTHVESTCPWISS-KRWDZBQOSA-N 0 1 394.479 3.415 20 0 GGADMN CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000056793053 1407434563 /nfs/dbraw/zinc/43/45/63/1407434563.db2.gz YUEGMZJDCIDJEH-SFHVURJKSA-N 0 1 396.535 3.041 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC000056792965 1407434696 /nfs/dbraw/zinc/43/46/96/1407434696.db2.gz UKGKBRGETHMUOP-HUUCEWRRSA-N 0 1 396.557 3.050 20 0 GGADMN CC(C)c1ccc(CCC(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000056793010 1407434867 /nfs/dbraw/zinc/43/48/67/1407434867.db2.gz GVIZXCBBQIZSFE-UHFFFAOYSA-N 0 1 380.536 3.206 20 0 GGADMN COc1ccccc1OCCN(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000056796101 1407435487 /nfs/dbraw/zinc/43/54/87/1407435487.db2.gz HSMYKBRIWDDQHV-GOSISDBHSA-N 0 1 389.471 3.157 20 0 GGADMN COc1ccccc1OCCN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000056793140 1407435533 /nfs/dbraw/zinc/43/55/33/1407435533.db2.gz DLUPXNZCLVLCBG-HNNXBMFYSA-N 0 1 377.510 3.080 20 0 GGADMN CC[C@@H](C)NC(=O)CCNC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000056797269 1407436351 /nfs/dbraw/zinc/43/63/51/1407436351.db2.gz YSOLDPJRCSFLJW-CRAIPNDOSA-N 0 1 394.947 3.081 20 0 GGADMN CCOC(=O)c1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000056837742 1407450378 /nfs/dbraw/zinc/45/03/78/1407450378.db2.gz GATWJUCURQHTHB-IBGZPJMESA-N 0 1 387.455 3.105 20 0 GGADMN CC[C@@H](C)NC(=O)CCNC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000056863438 1407459019 /nfs/dbraw/zinc/45/90/19/1407459019.db2.gz JJVBTBONQPIAAS-CRAIPNDOSA-N 0 1 394.947 3.081 20 0 GGADMN CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000176315318 1428239861 /nfs/dbraw/zinc/23/98/61/1428239861.db2.gz KXPNDPZAORENIW-NSHDSACASA-N 0 1 379.373 3.045 20 0 GGADMN CC(C)COc1ccc(NC(=O)CN(C)c2ncnc3[nH]cnc32)cc1Cl ZINC000056874316 1407462468 /nfs/dbraw/zinc/46/24/68/1407462468.db2.gz BULXJHJBBJBWDR-UHFFFAOYSA-N 0 1 388.859 3.116 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccccc1-n1ccnc1)c1cccc(F)c1 ZINC000056894453 1407468386 /nfs/dbraw/zinc/46/83/86/1407468386.db2.gz QPSIHTTYVTXBNR-FQEVSTJZSA-N 0 1 381.455 3.114 20 0 GGADMN C[C@@H](CNC(=O)NCc1ccccc1-n1ccnc1)N1CCc2ccccc2C1 ZINC000056895632 1407469444 /nfs/dbraw/zinc/46/94/44/1407469444.db2.gz KOUWDWCUWZQMIQ-SFHVURJKSA-N 0 1 389.503 3.118 20 0 GGADMN CN(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ncnc2[nH]cnc21 ZINC000056911365 1407472839 /nfs/dbraw/zinc/47/28/39/1407472839.db2.gz XAQOWFSWJRSPQE-UHFFFAOYSA-N 0 1 398.517 3.141 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc(O)cc1)N1CCCCC1 ZINC000056932294 1407476066 /nfs/dbraw/zinc/47/60/66/1407476066.db2.gz SBNCLZVDQUQSIP-HXUWFJFHSA-N 0 1 383.492 3.427 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCCNc1ccccn1)N1CCCCC1 ZINC000056933694 1407477301 /nfs/dbraw/zinc/47/73/01/1407477301.db2.gz CLWPLKAPSBXWOJ-LJQANCHMSA-N 0 1 397.523 3.029 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1 ZINC000056934722 1407478096 /nfs/dbraw/zinc/47/80/96/1407478096.db2.gz PDGHWENBFOEPPE-NRFANRHFSA-N 0 1 395.482 3.173 20 0 GGADMN COC(=O)c1ccc(CN(C)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000056935996 1407478261 /nfs/dbraw/zinc/47/82/61/1407478261.db2.gz KTWVJYYARBBJKR-IBGZPJMESA-N 0 1 387.455 3.057 20 0 GGADMN CCOc1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1OC ZINC000056935811 1407478305 /nfs/dbraw/zinc/47/83/05/1407478305.db2.gz KDEMCSXRTWJIRX-SFHVURJKSA-N 0 1 389.471 3.335 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C2 ZINC000056934902 1407478365 /nfs/dbraw/zinc/47/83/65/1407478365.db2.gz YNQCMTBMWYDSEJ-OAQYLSRUSA-N 0 1 398.482 3.155 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000056935018 1407478374 /nfs/dbraw/zinc/47/83/74/1407478374.db2.gz VTKOMNTVSHIUTC-OAQYLSRUSA-N 0 1 395.482 3.456 20 0 GGADMN COc1ccc(OCCN(C)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000056937699 1407478775 /nfs/dbraw/zinc/47/87/75/1407478775.db2.gz QQWGIKXMIZHHBT-FQEVSTJZSA-N 0 1 389.471 3.157 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000056937534 1407478846 /nfs/dbraw/zinc/47/88/46/1407478846.db2.gz ACLFRORERISGAG-LJQANCHMSA-N 0 1 390.528 3.017 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1ccccc1Cn1cccn1)c1ccc(F)cc1 ZINC000056937370 1407478906 /nfs/dbraw/zinc/47/89/06/1407478906.db2.gz SKAYPDMPMBIMPA-OAQYLSRUSA-N 0 1 395.482 3.173 20 0 GGADMN Cc1cccc(C)c1OC[C@@H](C)NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000056959676 1407486718 /nfs/dbraw/zinc/48/67/18/1407486718.db2.gz CYEKSQJADUCLFV-LJQANCHMSA-N 0 1 396.535 3.430 20 0 GGADMN Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)s2)o1 ZINC000056972622 1407490904 /nfs/dbraw/zinc/49/09/04/1407490904.db2.gz PQVYYKDQWSCFJY-INIZCTEOSA-N 0 1 390.553 3.022 20 0 GGADMN COc1cc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)ccc1OC(C)C ZINC000057053974 1407508872 /nfs/dbraw/zinc/50/88/72/1407508872.db2.gz PUYKZWFOUCOHCQ-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000057055391 1407509690 /nfs/dbraw/zinc/50/96/90/1407509690.db2.gz AUBSTWZXZBPJDL-INIZCTEOSA-N 0 1 387.911 3.493 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cc4c(c(Cl)c3)OCO4)c2)CC1 ZINC000057054404 1407509743 /nfs/dbraw/zinc/50/97/43/1407509743.db2.gz ZZVGXSKKKNWRIO-UHFFFAOYSA-N 0 1 387.867 3.068 20 0 GGADMN COc1ccc(OC)c(CCC(=O)Nc2cccc(CN3CCN(C)CC3)c2)c1 ZINC000057054944 1407509891 /nfs/dbraw/zinc/50/98/91/1407509891.db2.gz GGLPNGISWAVMIQ-UHFFFAOYSA-N 0 1 397.519 3.023 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2)CC1 ZINC000057054904 1407510212 /nfs/dbraw/zinc/51/02/12/1407510212.db2.gz VEDPEMHDZHZUPD-UHFFFAOYSA-N 0 1 378.398 3.100 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)CCCOc3ccc(F)cc3)c2)CC1 ZINC000057054893 1407510422 /nfs/dbraw/zinc/51/04/22/1407510422.db2.gz WFHUFXPNLORCAM-UHFFFAOYSA-N 0 1 385.483 3.371 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)CCOc3ccccc3Cl)c2)CC1 ZINC000057055269 1407510540 /nfs/dbraw/zinc/51/05/40/1407510540.db2.gz LCXKGPWJUUUMLY-UHFFFAOYSA-N 0 1 387.911 3.495 20 0 GGADMN Cc1ccnn1-c1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000057055499 1407511071 /nfs/dbraw/zinc/51/10/71/1407511071.db2.gz XNWQIZYYSMMPPW-UHFFFAOYSA-N 0 1 389.503 3.180 20 0 GGADMN CC(C)CN1CCN(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000057060109 1407513055 /nfs/dbraw/zinc/51/30/55/1407513055.db2.gz UBHOPJOXPJOLIX-UHFFFAOYSA-N 0 1 386.540 3.299 20 0 GGADMN CC(C)(C)[C@H](NCN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(F)cc1 ZINC000057087759 1407518319 /nfs/dbraw/zinc/51/83/19/1407518319.db2.gz PTTBPTYSPYCHQW-MRXNPFEDSA-N 0 1 375.444 3.193 20 0 GGADMN O=S(=O)(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1c(F)cc(F)cc1F ZINC000057101885 1407520287 /nfs/dbraw/zinc/52/02/87/1407520287.db2.gz BLQDBWOJTCMSMJ-LLVKDONJSA-N 0 1 388.386 3.048 20 0 GGADMN O=S(=O)(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1c(F)cc(F)cc1F ZINC000057101886 1407520366 /nfs/dbraw/zinc/52/03/66/1407520366.db2.gz BLQDBWOJTCMSMJ-NSHDSACASA-N 0 1 388.386 3.048 20 0 GGADMN Cn1c(=S)n(CN2CCN(CCc3cccs3)CC2)nc1-c1ccco1 ZINC000057104465 1407520847 /nfs/dbraw/zinc/52/08/47/1407520847.db2.gz BSEVKYWFQPUQEN-UHFFFAOYSA-N 0 1 389.550 3.090 20 0 GGADMN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1c[nH]c2ncccc12 ZINC000057118813 1407523154 /nfs/dbraw/zinc/52/31/54/1407523154.db2.gz AFBNUIHXDSTGAA-UHFFFAOYSA-N 0 1 380.429 3.338 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(OC[C@H]2CCCO2)c1 ZINC000057123876 1407528160 /nfs/dbraw/zinc/52/81/60/1407528160.db2.gz LFNRYBHLYLKKDG-MRXNPFEDSA-N 0 1 389.473 3.289 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C)c(OCC(=O)N(C)C)c1 ZINC000057124329 1407528205 /nfs/dbraw/zinc/52/82/05/1407528205.db2.gz DHCOLZSBFWSPHI-UHFFFAOYSA-N 0 1 396.896 3.225 20 0 GGADMN O=S(=O)(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc2c(c1)CCO2 ZINC000057124690 1407528453 /nfs/dbraw/zinc/52/84/53/1407528453.db2.gz DKUGGUJIXVMNEL-INIZCTEOSA-N 0 1 389.473 3.370 20 0 GGADMN CCOc1ccc(S(=O)(=O)Nc2ccccc2OCCOC)cc1OCC ZINC000057126107 1407529500 /nfs/dbraw/zinc/52/95/00/1407529500.db2.gz VOEZNTFQPGTPEE-UHFFFAOYSA-N 0 1 395.477 3.310 20 0 GGADMN Cc1c(CC(=O)NC[C@@H](c2ccco2)N2CCCCC2)nnn1-c1ccccc1 ZINC000057127961 1407531272 /nfs/dbraw/zinc/53/12/72/1407531272.db2.gz QDRVJWFAQNKHBZ-FQEVSTJZSA-N 0 1 393.491 3.055 20 0 GGADMN C[C@H]1CN(C(C)(C)CNc2ccc3nnc(-c4ccccc4F)n3n2)C[C@H](C)O1 ZINC000057137171 1407532835 /nfs/dbraw/zinc/53/28/35/1407532835.db2.gz MGWKLGFBTXGDGI-GJZGRUSLSA-N 0 1 398.486 3.230 20 0 GGADMN C[C@@H]1CN(C(C)(C)CNc2ccc3nnc(-c4ccccc4F)n3n2)C[C@H](C)O1 ZINC000057137170 1407533080 /nfs/dbraw/zinc/53/30/80/1407533080.db2.gz MGWKLGFBTXGDGI-GASCZTMLSA-N 0 1 398.486 3.230 20 0 GGADMN COc1ccc(C(=O)C2CCN(C(=O)NC[C@H](C)N3CCCCC3)CC2)cc1 ZINC000057164211 1407540053 /nfs/dbraw/zinc/54/00/53/1407540053.db2.gz PZCIKMGYMZWUKW-KRWDZBQOSA-N 0 1 387.524 3.174 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)on2)cc1 ZINC000057167477 1407541240 /nfs/dbraw/zinc/54/12/40/1407541240.db2.gz NUEVWNCKEBZEES-UHFFFAOYSA-N 0 1 376.460 3.439 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)[nH]n2)cc1 ZINC000057167139 1407541427 /nfs/dbraw/zinc/54/14/27/1407541427.db2.gz BIZPSYODXQDEEA-UHFFFAOYSA-N 0 1 375.476 3.175 20 0 GGADMN O=C(NCc1ccc(N2CCCCC2)nc1)[C@H]1CCCN1Cc1ccccc1 ZINC000057173172 1407544649 /nfs/dbraw/zinc/54/46/49/1407544649.db2.gz DQEOPEFNBLRWBU-OAQYLSRUSA-N 0 1 378.520 3.353 20 0 GGADMN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000057173088 1407544686 /nfs/dbraw/zinc/54/46/86/1407544686.db2.gz GFOMYOQSEDHMEW-XMSQKQJNSA-N 0 1 393.531 3.496 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000057174405 1407545322 /nfs/dbraw/zinc/54/53/22/1407545322.db2.gz HDPUWGLAIJCXRQ-IERDGZPVSA-N 0 1 377.488 3.413 20 0 GGADMN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CCCN3Cc3ccccc3)cn2)n1 ZINC000057174887 1407545872 /nfs/dbraw/zinc/54/58/72/1407545872.db2.gz JRSVHTOFUYQIIA-OAQYLSRUSA-N 0 1 389.503 3.165 20 0 GGADMN CCC(CC)C(=O)N1CCC(NC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000057177795 1407547006 /nfs/dbraw/zinc/54/70/06/1407547006.db2.gz BURIQUSXURIQFW-OAQYLSRUSA-N 0 1 385.552 3.194 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2ccc(NC3CC3)nc2)N2CCCC2)c1 ZINC000057186682 1407549892 /nfs/dbraw/zinc/54/98/92/1407549892.db2.gz KVEAOUHRQMFPSL-HXUWFJFHSA-N 0 1 380.492 3.231 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000057189461 1407550514 /nfs/dbraw/zinc/55/05/14/1407550514.db2.gz NVWMMFGOYFWUDF-FCHUYYIVSA-N 0 1 397.494 3.403 20 0 GGADMN CN(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)c1cccc(F)c1 ZINC000057192472 1407551649 /nfs/dbraw/zinc/55/16/49/1407551649.db2.gz VJGHNLGDGKXEMI-HXUWFJFHSA-N 0 1 388.458 3.432 20 0 GGADMN C[C@H](CNC(=O)C1(c2ccc(F)cc2)CCOCC1)N1CCc2ccccc2C1 ZINC000057205603 1407554890 /nfs/dbraw/zinc/55/48/90/1407554890.db2.gz HMTBLUQWVJJPPX-GOSISDBHSA-N 0 1 396.506 3.437 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(NC4CC4)nc3)cc2)C[C@H](C)O1 ZINC000057207859 1407555699 /nfs/dbraw/zinc/55/56/99/1407555699.db2.gz ZMYRCDZCXNYCRI-CALCHBBNSA-N 0 1 394.519 3.195 20 0 GGADMN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)C1(CC)CC ZINC000176328165 1428247827 /nfs/dbraw/zinc/24/78/27/1428247827.db2.gz VIDBPOXKVOSTDX-MSOLQXFVSA-N 0 1 387.528 3.483 20 0 GGADMN CN(C)[C@@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(F)cc1 ZINC000057231117 1407562674 /nfs/dbraw/zinc/56/26/74/1407562674.db2.gz STTNVVBARARCEO-FQEVSTJZSA-N 0 1 388.458 3.432 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cccc(Cn2cccn2)c1)c1cccc(F)c1 ZINC000057259292 1407570759 /nfs/dbraw/zinc/57/07/59/1407570759.db2.gz LPTFHLMWBBNJGF-NRFANRHFSA-N 0 1 395.482 3.173 20 0 GGADMN CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n[nH]1 ZINC000057262448 1407572739 /nfs/dbraw/zinc/57/27/39/1407572739.db2.gz UGNSJXUEPWELLY-LBPRGKRZSA-N 0 1 375.860 3.072 20 0 GGADMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000057261998 1407572751 /nfs/dbraw/zinc/57/27/51/1407572751.db2.gz WETJBJROURHQMN-CYBMUJFWSA-N 0 1 383.839 3.102 20 0 GGADMN CC(C)COCCC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057274438 1407576710 /nfs/dbraw/zinc/57/67/10/1407576710.db2.gz MZCBNKWRKUUKKG-UHFFFAOYSA-N 0 1 396.535 3.405 20 0 GGADMN Cc1c(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)oc2c1C(=O)CCC2 ZINC000057274098 1407576860 /nfs/dbraw/zinc/57/68/60/1407576860.db2.gz FZJNJOJXWQGTNT-UHFFFAOYSA-N 0 1 381.476 3.107 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)CC1 ZINC000057273895 1407576929 /nfs/dbraw/zinc/57/69/29/1407576929.db2.gz UZVVNMWXSNQPHQ-UHFFFAOYSA-N 0 1 379.291 3.388 20 0 GGADMN Cc1ncsc1C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057274447 1407577194 /nfs/dbraw/zinc/57/71/94/1407577194.db2.gz FRHDSMVVIBWCGX-UHFFFAOYSA-N 0 1 393.516 3.421 20 0 GGADMN CCc1c(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)[nH]c(C)c1C(C)=O ZINC000057274180 1407577265 /nfs/dbraw/zinc/57/72/65/1407577265.db2.gz AVBUYWRAELYBIC-UHFFFAOYSA-N 0 1 382.508 3.088 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)CCCc3nc4ccccc4[nH]3)c2)CC1 ZINC000057274070 1407577334 /nfs/dbraw/zinc/57/73/34/1407577334.db2.gz LZUSCCUVRUQNKS-UHFFFAOYSA-N 0 1 391.519 3.272 20 0 GGADMN CCOc1ccccc1-c1cc(C(=O)Nc2ccccc2CC(=O)NC)[nH]n1 ZINC000057281546 1407579623 /nfs/dbraw/zinc/57/96/23/1407579623.db2.gz ULOARKPOUZCKLH-UHFFFAOYSA-N 0 1 378.432 3.016 20 0 GGADMN C[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1cccc([N+](=O)[O-])c1 ZINC000057282254 1407579680 /nfs/dbraw/zinc/57/96/80/1407579680.db2.gz MRMUQFAJNMVNFO-GFCCVEGCSA-N 0 1 398.444 3.235 20 0 GGADMN COc1cc[n-]c(=NNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000057285989 1407580045 /nfs/dbraw/zinc/58/00/45/1407580045.db2.gz PJOIFUISAYGKTH-UHFFFAOYSA-N 0 1 398.511 3.076 20 0 GGADMN COc1cc[n-]c(=NNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000057285989 1407580050 /nfs/dbraw/zinc/58/00/50/1407580050.db2.gz PJOIFUISAYGKTH-UHFFFAOYSA-N 0 1 398.511 3.076 20 0 GGADMN COc1ccc([C@@H](CNC(=O)CCCCCNC(C)=O)N2CCCCC2)cc1 ZINC000057287785 1407580091 /nfs/dbraw/zinc/58/00/91/1407580091.db2.gz KQNBNZRLTIOEHZ-OAQYLSRUSA-N 0 1 389.540 3.035 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)C1(c2cccc(F)c2)CCOCC1 ZINC000057305467 1407584103 /nfs/dbraw/zinc/58/41/03/1407584103.db2.gz WVZONUARGPVESU-UHFFFAOYSA-N 0 1 382.479 3.048 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)c3cnc(Cc4ccccc4)s3)CC2)CCO1 ZINC000176330871 1428249488 /nfs/dbraw/zinc/24/94/88/1428249488.db2.gz YROBLCOUHFUTLJ-MRXNPFEDSA-N 0 1 385.533 3.059 20 0 GGADMN CN(CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(F)cc1 ZINC000176332653 1428250130 /nfs/dbraw/zinc/25/01/30/1428250130.db2.gz SUMCWILFDXLINH-UHFFFAOYSA-N 0 1 398.265 3.319 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)[C@@H](C)OCCOCC)cc2Cl)CC1 ZINC000057367811 1407597312 /nfs/dbraw/zinc/59/73/12/1407597312.db2.gz FKBVOVFSEDPMST-MRXNPFEDSA-N 0 1 397.947 3.252 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)Cn3cc(C)cn3)cc2Cl)CC1 ZINC000057367809 1407597493 /nfs/dbraw/zinc/59/74/93/1407597493.db2.gz LOXGFJFTRUNYPF-UHFFFAOYSA-N 0 1 375.904 3.016 20 0 GGADMN O=C(NCCCCn1ccnc1)NNc1ncc(C(F)(F)F)cc1Cl ZINC000057379345 1407601031 /nfs/dbraw/zinc/60/10/31/1407601031.db2.gz FWYNZIJTIVFDFC-UHFFFAOYSA-N 0 1 376.770 3.057 20 0 GGADMN COc1ccc([C@H]2CCCN2CC(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000057457182 1407626231 /nfs/dbraw/zinc/62/62/31/1407626231.db2.gz OQQGGTJHMSFFBQ-LJQANCHMSA-N 0 1 384.476 3.166 20 0 GGADMN CCCC1=C(C(=O)OC)[C@@H](c2ccc(Br)cc2F)NC(=S)N1 ZINC000057460573 1407626990 /nfs/dbraw/zinc/62/69/90/1407626990.db2.gz HUJYXNUHWRTWHK-CYBMUJFWSA-N 0 1 387.274 3.334 20 0 GGADMN COCCOc1ccccc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000057477618 1407631551 /nfs/dbraw/zinc/63/15/51/1407631551.db2.gz DNVWAEJYGJVTHF-SFHVURJKSA-N 0 1 375.444 3.275 20 0 GGADMN CCOC[C@H]1CCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000176337196 1428253020 /nfs/dbraw/zinc/25/30/20/1428253020.db2.gz LTNHWIMWURTSIQ-NRFANRHFSA-N 0 1 382.504 3.240 20 0 GGADMN O=C1CCCC(=O)N1c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000057499517 1407637338 /nfs/dbraw/zinc/63/73/38/1407637338.db2.gz QNVQZBQKCZNWEO-UHFFFAOYSA-N 0 1 396.827 3.323 20 0 GGADMN CCOC[C@H]1CCN(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 ZINC000176338819 1428253543 /nfs/dbraw/zinc/25/35/43/1428253543.db2.gz MCPYAJWPFZKTTE-INIZCTEOSA-N 0 1 385.533 3.366 20 0 GGADMN COc1cc(CN(C)C(=O)c2n[nH]c(C)c2Br)ccc1SC ZINC000057551519 1407647052 /nfs/dbraw/zinc/64/70/52/1407647052.db2.gz IHQWQWGABZPSFK-UHFFFAOYSA-N 0 1 384.299 3.483 20 0 GGADMN Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000057551895 1407647585 /nfs/dbraw/zinc/64/75/85/1407647585.db2.gz YQWASNYFDQKMSP-FUHIMQAGSA-N 0 1 395.547 3.494 20 0 GGADMN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)OCc1nc2ccccc2s1 ZINC000057604789 1407663362 /nfs/dbraw/zinc/66/33/62/1407663362.db2.gz CHQAZNZFCJVCTK-UHFFFAOYSA-N 0 1 382.445 3.337 20 0 GGADMN CCC(O)(CC)CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000057606424 1407663748 /nfs/dbraw/zinc/66/37/48/1407663748.db2.gz JDYHMUUYUBBITR-LJQANCHMSA-N 0 1 377.529 3.073 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 ZINC000057612493 1407665950 /nfs/dbraw/zinc/66/59/50/1407665950.db2.gz DKXNPJPZFCJRRK-UHFFFAOYSA-N 0 1 398.440 3.454 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000176339224 1428255006 /nfs/dbraw/zinc/25/50/06/1428255006.db2.gz UBTPNBDHFCUWLQ-ZACQAIPSSA-N 0 1 380.964 3.109 20 0 GGADMN COc1c(C)cnc(CN(C)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1C ZINC000057616730 1407667474 /nfs/dbraw/zinc/66/74/74/1407667474.db2.gz BJJGXRQNUVGGCY-IBGZPJMESA-N 0 1 388.487 3.290 20 0 GGADMN O=C(CCCNC(=O)c1ccsc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000057673028 1407680926 /nfs/dbraw/zinc/68/09/26/1407680926.db2.gz QKTCLJUMFOBRBE-KRWDZBQOSA-N 0 1 389.521 3.195 20 0 GGADMN O=C(CCCNC(=O)c1ccsc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000057673027 1407681099 /nfs/dbraw/zinc/68/10/99/1407681099.db2.gz QKTCLJUMFOBRBE-QGZVFWFLSA-N 0 1 389.521 3.195 20 0 GGADMN O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057786712 1407716393 /nfs/dbraw/zinc/71/63/93/1407716393.db2.gz CGHPITWVUSAREF-KRWDZBQOSA-N 0 1 378.432 3.293 20 0 GGADMN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000057789717 1407717193 /nfs/dbraw/zinc/71/71/93/1407717193.db2.gz BIBMWDYDTMHJDO-FCHUYYIVSA-N 0 1 397.494 3.081 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Cc2csc(-c3cccnc3)n2)N(C)C)c1 ZINC000057789255 1407717474 /nfs/dbraw/zinc/71/74/74/1407717474.db2.gz BJBQHGLNVIHJCQ-LJQANCHMSA-N 0 1 396.516 3.175 20 0 GGADMN CSCc1nc2ccccc2n1CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000057791245 1407718058 /nfs/dbraw/zinc/71/80/58/1407718058.db2.gz UQMIVEUISGJGQJ-INIZCTEOSA-N 0 1 388.562 3.380 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1csc(-c2cccnc2)n1)c1cccc(F)c1 ZINC000057790206 1407718533 /nfs/dbraw/zinc/71/85/33/1407718533.db2.gz AIOIHXOZPPTLMY-SFHVURJKSA-N 0 1 384.480 3.306 20 0 GGADMN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000057791755 1407718603 /nfs/dbraw/zinc/71/86/03/1407718603.db2.gz XCWMVKDBVOHSIL-RBUKOAKNSA-N 0 1 385.533 3.003 20 0 GGADMN O=C(NN1CC(=O)NC1=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000057813565 1407724262 /nfs/dbraw/zinc/72/42/62/1407724262.db2.gz WNPCLCQYJKTRGR-UHFFFAOYSA-N 0 1 378.624 3.058 20 0 GGADMN CCN(C)[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000057823256 1407729694 /nfs/dbraw/zinc/72/96/94/1407729694.db2.gz GXZPBSQPVICGNR-FQEVSTJZSA-N 0 1 378.476 3.116 20 0 GGADMN CN1CCN(c2ccc(NC(=O)Cc3csc(-c4cccnc4)n3)cc2)CC1 ZINC000057837814 1407733843 /nfs/dbraw/zinc/73/38/43/1407733843.db2.gz IBQWPRPDZBVJRQ-UHFFFAOYSA-N 0 1 393.516 3.138 20 0 GGADMN CCN(C)[C@@H](C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)c1ccccc1 ZINC000057837753 1407733967 /nfs/dbraw/zinc/73/39/67/1407733967.db2.gz ARWKULLVHMRAQV-PGRDOPGGSA-N 0 1 381.520 3.331 20 0 GGADMN CN1C(=O)c2ccc(NC(=O)CNC(C)(C)c3ccc(Cl)cc3)cc2C1=O ZINC000057846611 1407736855 /nfs/dbraw/zinc/73/68/55/1407736855.db2.gz LWOLYNJZCDSWBB-UHFFFAOYSA-N 0 1 385.851 3.029 20 0 GGADMN C[C@H](COc1cccc(F)c1)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000057849454 1407738082 /nfs/dbraw/zinc/73/80/82/1407738082.db2.gz FFKXWAWPVWEMCT-AUUYWEPGSA-N 0 1 377.435 3.334 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(-n3cccn3)c2)N(C)C)c1 ZINC000057862367 1407741894 /nfs/dbraw/zinc/74/18/94/1407741894.db2.gz POMYYWMNTMSFGC-HXUWFJFHSA-N 0 1 379.464 3.305 20 0 GGADMN COc1ccc(CCNC(=O)CN[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000057877648 1407744025 /nfs/dbraw/zinc/74/40/25/1407744025.db2.gz AEVYVVATEKRVAR-AWEZNQCLSA-N 0 1 376.884 3.367 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)NCc3cccc(F)c3)CC2)c1 ZINC000057888430 1407746855 /nfs/dbraw/zinc/74/68/55/1407746855.db2.gz DGKLTZJNQIKFQK-UHFFFAOYSA-N 0 1 384.499 3.146 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2ccc3nccn3c2)N2CCCCC2)cc1 ZINC000057893848 1407749022 /nfs/dbraw/zinc/74/90/22/1407749022.db2.gz HPJAVCKEVKXVEP-HXUWFJFHSA-N 0 1 378.476 3.300 20 0 GGADMN CCN(C)[C@@H](C(=O)Nc1ccc(NS(=O)(=O)CC)cc1)c1ccccc1 ZINC000057913643 1407754434 /nfs/dbraw/zinc/75/44/34/1407754434.db2.gz WBIIXAYZJRXWSP-GOSISDBHSA-N 0 1 375.494 3.080 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cccc4nsnc43)[nH]c2c1 ZINC000057924814 1407757100 /nfs/dbraw/zinc/75/71/00/1407757100.db2.gz MVWRMHKMODRYGC-OAHLLOKOSA-N 0 1 399.501 3.402 20 0 GGADMN CCN(Cc1ccccn1)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000176350198 1428262206 /nfs/dbraw/zinc/26/22/06/1428262206.db2.gz DJVGWCLITNTRKH-HXUWFJFHSA-N 0 1 382.508 3.459 20 0 GGADMN CCCN1CCN(c2ccc(NC(=S)NC3CCOCC3)cc2Cl)CC1 ZINC000057960726 1407761660 /nfs/dbraw/zinc/76/16/60/1407761660.db2.gz CXGOJWNEEVZTGH-UHFFFAOYSA-N 0 1 396.988 3.337 20 0 GGADMN O=S(=O)(c1ccc(CNCc2cccc(OC(F)F)c2)cc1)N1CCCC1 ZINC000057968618 1407763375 /nfs/dbraw/zinc/76/33/75/1407763375.db2.gz NHNZNWIHVKGLBA-UHFFFAOYSA-N 0 1 396.459 3.362 20 0 GGADMN CN1CCN(c2ccccc2NC(=O)CCc2nnc(-c3ccccc3)o2)CC1 ZINC000057979623 1407764350 /nfs/dbraw/zinc/76/43/50/1407764350.db2.gz AZAUIONDDBLBPU-UHFFFAOYSA-N 0 1 391.475 3.060 20 0 GGADMN 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1408571824 /nfs/dbraw/zinc/57/18/24/1408571824.db2.gz PPTPKJAYEYCZJN-UHFFFAOYSA-N 0 1 382.430 3.025 20 0 GGADMN FC(F)(F)COCCCN1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000064518312 1408571894 /nfs/dbraw/zinc/57/18/94/1408571894.db2.gz JZHDCOXVFBREAQ-UHFFFAOYSA-N 0 1 383.414 3.428 20 0 GGADMN CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)Cc1cscn1 ZINC000064516971 1408572155 /nfs/dbraw/zinc/57/21/55/1408572155.db2.gz BFSOCWKNMLFOQO-SFHVURJKSA-N 0 1 392.956 3.182 20 0 GGADMN CCCOc1ncccc1CNC(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000064528715 1408573847 /nfs/dbraw/zinc/57/38/47/1408573847.db2.gz KGGBOGHROWVHNV-UHFFFAOYSA-N 0 1 397.523 3.252 20 0 GGADMN CC(C)OCc1cccc(NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000064534590 1408575693 /nfs/dbraw/zinc/57/56/93/1408575693.db2.gz BDGVMZYDHOQBFH-UHFFFAOYSA-N 0 1 397.523 3.080 20 0 GGADMN CC(C)OCc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000064543590 1408576704 /nfs/dbraw/zinc/57/67/04/1408576704.db2.gz ABBMPDXEZWLBMA-UHFFFAOYSA-N 0 1 397.523 3.080 20 0 GGADMN CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000064599555 1408584146 /nfs/dbraw/zinc/58/41/46/1408584146.db2.gz CZCHLDZCESTUFU-MRXNPFEDSA-N 0 1 392.546 3.141 20 0 GGADMN Cc1cccc2nc(CCC(=O)N(C)[C@H]3CCN(c4ccccc4F)C3=O)[nH]c21 ZINC000176473046 1428331381 /nfs/dbraw/zinc/33/13/81/1428331381.db2.gz AYTIKNJSRZPWQJ-SFHVURJKSA-N 0 1 394.450 3.207 20 0 GGADMN CSc1ccc(Cl)cc1NC(=O)C(=O)NCCN(C)Cc1ccccc1 ZINC000064616383 1408586682 /nfs/dbraw/zinc/58/66/82/1408586682.db2.gz RZCJMJHGIVLKLS-UHFFFAOYSA-N 0 1 391.924 3.249 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc(-c4cc[nH]n4)cc3)c(Cl)cc2N1 ZINC000064621399 1408587752 /nfs/dbraw/zinc/58/77/52/1408587752.db2.gz HQPWSRIEILYTID-UHFFFAOYSA-N 0 1 388.836 3.026 20 0 GGADMN Cc1c2cccc(C)c2oc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000064711483 1408599377 /nfs/dbraw/zinc/59/93/77/1408599377.db2.gz DTGIRTNRFYYYLJ-UHFFFAOYSA-N 0 1 378.476 3.126 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000064735687 1408604963 /nfs/dbraw/zinc/60/49/63/1408604963.db2.gz JBGDHXVUKNJHIO-GUTXKFCHSA-N 0 1 386.521 3.475 20 0 GGADMN CCCOc1ncccc1CNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000064765878 1408609606 /nfs/dbraw/zinc/60/96/06/1408609606.db2.gz BXGDTXKYOIYBSK-GOSISDBHSA-N 0 1 386.496 3.490 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)[nH]c21 ZINC000176477899 1428333740 /nfs/dbraw/zinc/33/37/40/1428333740.db2.gz JRNGSBKUKIXATM-INIZCTEOSA-N 0 1 384.524 3.205 20 0 GGADMN C[C@@H](N(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)C1(C)CC1 ZINC000176479012 1428334138 /nfs/dbraw/zinc/33/41/38/1428334138.db2.gz JEVXJIQMBYABJY-JKSUJKDBSA-N 0 1 376.520 3.469 20 0 GGADMN CCCN(CC(=O)NC(=O)N[C@H](C)COC)[C@H](C)c1cc2ccccc2o1 ZINC000064941058 1408630526 /nfs/dbraw/zinc/63/05/26/1408630526.db2.gz ICQHDVJJPFDSCV-HUUCEWRRSA-N 0 1 375.469 3.067 20 0 GGADMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000064938304 1408630662 /nfs/dbraw/zinc/63/06/62/1408630662.db2.gz YQANKXZWQKOMIE-UHFFFAOYSA-N 0 1 377.462 3.431 20 0 GGADMN Cc1cc(C)cc(OCCN(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000064961691 1408632491 /nfs/dbraw/zinc/63/24/91/1408632491.db2.gz BWFXTIQJDGIIPJ-UHFFFAOYSA-N 0 1 391.533 3.487 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000064990028 1408634052 /nfs/dbraw/zinc/63/40/52/1408634052.db2.gz ALKGNFMSDMEKAM-QGZVFWFLSA-N 0 1 399.560 3.298 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(SC)cc2)C1 ZINC000064995235 1408634925 /nfs/dbraw/zinc/63/49/25/1408634925.db2.gz NQZAIACEZACHDT-CVEARBPZSA-N 0 1 377.554 3.364 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000064995598 1408635062 /nfs/dbraw/zinc/63/50/62/1408635062.db2.gz VGDIXJHVEVCTDT-MOPGFXCFSA-N 0 1 385.552 3.199 20 0 GGADMN CC[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1ccc(OC)cc1 ZINC000065041787 1408638217 /nfs/dbraw/zinc/63/82/17/1408638217.db2.gz GAXLHDFZTHZQTM-QFIPXVFZSA-N 0 1 381.520 3.324 20 0 GGADMN CCc1ccc(N2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000176482601 1428335766 /nfs/dbraw/zinc/33/57/66/1428335766.db2.gz QXZPNDMVLNVTBC-UHFFFAOYSA-N 0 1 380.564 3.204 20 0 GGADMN Cc1cccc(C)c1OCCN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000065041482 1408638367 /nfs/dbraw/zinc/63/83/67/1408638367.db2.gz UVEYWYFAEOQNDI-UHFFFAOYSA-N 0 1 391.533 3.487 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2csc(COC)n2)CC1 ZINC000065050413 1408639331 /nfs/dbraw/zinc/63/93/31/1408639331.db2.gz QTYJBBJFNNYBLK-UHFFFAOYSA-N 0 1 394.928 3.337 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)CC1 ZINC000065054494 1408640338 /nfs/dbraw/zinc/64/03/38/1408640338.db2.gz NNBWUUHFGGRADT-UHFFFAOYSA-N 0 1 381.495 3.378 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4cccs4)[nH]n3)cc2)CC1 ZINC000065104812 1408645201 /nfs/dbraw/zinc/64/52/01/1408645201.db2.gz VACIEIBLOYEXCP-UHFFFAOYSA-N 0 1 381.505 3.138 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000065121192 1408646890 /nfs/dbraw/zinc/64/68/90/1408646890.db2.gz XKSUWINGDGKCBJ-GFCCVEGCSA-N 0 1 382.395 3.442 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N(C(=O)CN(C)c1ncnc2[nH]cnc21)C1CC1 ZINC000065157352 1408649222 /nfs/dbraw/zinc/64/92/22/1408649222.db2.gz ATVRGDRFEUOSQI-LBPRGKRZSA-N 0 1 384.871 3.195 20 0 GGADMN CCOC(=O)NCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000065156802 1408649385 /nfs/dbraw/zinc/64/93/85/1408649385.db2.gz XRADXWOFDBTHDE-UHFFFAOYSA-N 0 1 379.420 3.213 20 0 GGADMN COc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000065160326 1408649714 /nfs/dbraw/zinc/64/97/14/1408649714.db2.gz SCFBYTDWYXQIBJ-UHFFFAOYSA-N 0 1 397.456 3.168 20 0 GGADMN COCCCCN(CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1 ZINC000065165673 1408650469 /nfs/dbraw/zinc/65/04/69/1408650469.db2.gz PXFSAZVCFDJTFG-AZUAARDMSA-N 0 1 389.540 3.320 20 0 GGADMN COCCCCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000065165657 1408650613 /nfs/dbraw/zinc/65/06/13/1408650613.db2.gz AEXJNTXZCCAKFS-UHFFFAOYSA-N 0 1 397.519 3.256 20 0 GGADMN COCCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000065164932 1408650703 /nfs/dbraw/zinc/65/07/03/1408650703.db2.gz RGLREBQRJMMMFW-UHFFFAOYSA-N 0 1 397.519 3.256 20 0 GGADMN O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000065217201 1408653792 /nfs/dbraw/zinc/65/37/92/1408653792.db2.gz PHYOMEKJOSSRGT-UHFFFAOYSA-N 0 1 393.270 3.226 20 0 GGADMN COc1ccc(CCCNC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1OC ZINC000065219885 1408654589 /nfs/dbraw/zinc/65/45/89/1408654589.db2.gz RWZDUNRHXBCLSK-UHFFFAOYSA-N 0 1 399.472 3.378 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(N(CC)C(C)C)cc2)C1 ZINC000065243867 1408656418 /nfs/dbraw/zinc/65/64/18/1408656418.db2.gz SKYBOGMWURVTKO-SFHVURJKSA-N 0 1 388.556 3.098 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000065251686 1408656556 /nfs/dbraw/zinc/65/65/56/1408656556.db2.gz MOLFFMLGGMHVLV-QWHCGFSZSA-N 0 1 383.414 3.023 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(=O)NC2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000065244638 1408656818 /nfs/dbraw/zinc/65/68/18/1408656818.db2.gz LBTNMQCZWBVUSZ-XGHQBKJUSA-N 0 1 397.563 3.122 20 0 GGADMN CCCCNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000065253817 1408657210 /nfs/dbraw/zinc/65/72/10/1408657210.db2.gz LCUANMJGXKYOKY-RDJZCZTQSA-N 0 1 383.330 3.111 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000065253508 1408657233 /nfs/dbraw/zinc/65/72/33/1408657233.db2.gz MVIBCBLWOSNRFS-HZPDHXFCSA-N 0 1 377.554 3.364 20 0 GGADMN CCCCNC(=O)[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000065253521 1408657378 /nfs/dbraw/zinc/65/73/78/1408657378.db2.gz FSMYHWXEYIVJKH-HXUWFJFHSA-N 0 1 399.579 3.243 20 0 GGADMN COc1cc2nc(-c3nc(OC(C)C)ccc3Cl)[nH]c(=O)c2cc1OC ZINC000065278984 1408659157 /nfs/dbraw/zinc/65/91/57/1408659157.db2.gz URVXKZBDWXSMEN-UHFFFAOYSA-N 0 1 375.812 3.443 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(S(=O)(=O)CC)cc1)c1ccco1 ZINC000065360030 1408663013 /nfs/dbraw/zinc/66/30/13/1408663013.db2.gz OUCGQQUAUHLPHB-QGZVFWFLSA-N 0 1 393.509 3.278 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Nc1cc(C(=O)N(C)C)ccc1C)c1ccco1 ZINC000065411202 1408665705 /nfs/dbraw/zinc/66/57/05/1408665705.db2.gz BONINEPGSRETSI-GOSISDBHSA-N 0 1 386.496 3.494 20 0 GGADMN CCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)[C@H](C)c1ccc(F)cc1 ZINC000065433295 1408668245 /nfs/dbraw/zinc/66/82/45/1408668245.db2.gz JBQSDTRIWRYDPZ-IIBYNOLFSA-N 0 1 398.478 3.335 20 0 GGADMN Fc1ccc(-c2ccnn2CN2CCC[C@@H]2CN2CCOCC2)cc1Cl ZINC000176491546 1428338498 /nfs/dbraw/zinc/33/84/98/1428338498.db2.gz XHGPDQAKNFUSRI-MRXNPFEDSA-N 0 1 378.879 3.097 20 0 GGADMN CO[C@H](C)C(=O)Nc1cccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000065470926 1408674355 /nfs/dbraw/zinc/67/43/55/1408674355.db2.gz ATRJWRNWXFRYNT-CXAGYDPISA-N 0 1 390.509 3.146 20 0 GGADMN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000065480016 1408676124 /nfs/dbraw/zinc/67/61/24/1408676124.db2.gz IKVCKRFFDRFJBT-UHFFFAOYSA-N 0 1 384.524 3.227 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccco1 ZINC000065481288 1408676678 /nfs/dbraw/zinc/67/66/78/1408676678.db2.gz SXGBHQMHFJPRCT-LJQANCHMSA-N 0 1 388.487 3.333 20 0 GGADMN C[C@@H](Cc1ccccc1F)NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000065488096 1408678386 /nfs/dbraw/zinc/67/83/86/1408678386.db2.gz SOPXAZAORJGXCM-IBGZPJMESA-N 0 1 398.526 3.268 20 0 GGADMN CCc1[nH]ncc1C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1 ZINC000065504837 1408680282 /nfs/dbraw/zinc/68/02/82/1408680282.db2.gz NQDMBGWPMLPCRE-UHFFFAOYSA-N 0 1 394.431 3.251 20 0 GGADMN CCCOCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000065505066 1408680343 /nfs/dbraw/zinc/68/03/43/1408680343.db2.gz YIRRBFMLSJOWPZ-UHFFFAOYSA-N 0 1 392.477 3.170 20 0 GGADMN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000065507720 1408680760 /nfs/dbraw/zinc/68/07/60/1408680760.db2.gz QXCRDFJKVRIZAK-OALUTQOASA-N 0 1 375.488 3.016 20 0 GGADMN O=C(CNC(=O)c1ccsc1)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000065514365 1408681715 /nfs/dbraw/zinc/68/17/15/1408681715.db2.gz VXYMRSXHPDBBID-UHFFFAOYSA-N 0 1 377.429 3.055 20 0 GGADMN O=C(NC[C@H]1CCCN(Cn2nccc2-c2cccnc2)C1)c1ccccc1 ZINC000176494969 1428339370 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Cc1ccccc1-c1nc(C(=O)NNC(=O)COc2ccccc2F)cs1 ZINC000066591456 1408862171 /nfs/dbraw/zinc/86/21/71/1408862171.db2.gz YVACEJBEBOXRMA-UHFFFAOYSA-N 0 1 385.420 3.098 20 0 GGADMN CCC(=O)N[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000066592353 1408862415 /nfs/dbraw/zinc/86/24/15/1408862415.db2.gz LONUHTLRSMNIER-WIYYLYMNSA-N 0 1 383.492 3.190 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@@H](c1cccs1)N(C)C)c1c(F)cccc1F ZINC000066592530 1408862537 /nfs/dbraw/zinc/86/25/37/1408862537.db2.gz WWLATZGXWLSPBT-CVEARBPZSA-N 0 1 395.475 3.013 20 0 GGADMN CC(C)CC(=O)N[C@H](C(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC000066592523 1408862552 /nfs/dbraw/zinc/86/25/52/1408862552.db2.gz TZQITUTWBFLDGM-XLIONFOSSA-N 0 1 387.549 3.371 20 0 GGADMN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000066602397 1408864404 /nfs/dbraw/zinc/86/44/04/1408864404.db2.gz QCHAPYDENWLVSG-UNMCSNQZSA-N 0 1 399.510 3.448 20 0 GGADMN C[C@@H](CC(=O)NC[C@H](c1cccc(F)c1)N(C)C)NC(=O)C1CCCCC1 ZINC000066602409 1408864462 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KDSJQKUZYSXQJK-YWZLYKJASA-N 0 1 397.454 3.237 20 0 GGADMN CC(C)CC(=O)N[C@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000176536123 1428355310 /nfs/dbraw/zinc/35/53/10/1428355310.db2.gz YOWUVXYCCUOKRR-NRFANRHFSA-N 0 1 396.466 3.264 20 0 GGADMN COc1cccc([C@H](CNS(=O)(=O)Cc2ccc(F)cc2)N2CCCC2)c1 ZINC000066607974 1408866325 /nfs/dbraw/zinc/86/63/25/1408866325.db2.gz ALWXYKHWNSWUJK-FQEVSTJZSA-N 0 1 392.496 3.091 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000066606914 1408866377 /nfs/dbraw/zinc/86/63/77/1408866377.db2.gz SNKPWQQLVLJXQH-SFHVURJKSA-N 0 1 399.510 3.219 20 0 GGADMN CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccsc1)N(C)C)c1c(F)cccc1F ZINC000066610878 1408867206 /nfs/dbraw/zinc/86/72/06/1408867206.db2.gz GASZCIPRSIRNSJ-SJORKVTESA-N 0 1 395.475 3.013 20 0 GGADMN O=C(N1CCC(CN2CCOCC2)CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000066615915 1408868750 /nfs/dbraw/zinc/86/87/50/1408868750.db2.gz JSKVUFKQSHNYJG-UHFFFAOYSA-N 0 1 396.453 3.308 20 0 GGADMN 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O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)COC2 ZINC000092186249 1410117185 /nfs/dbraw/zinc/11/71/85/1410117185.db2.gz RZHCFEWWNMHOCX-UHFFFAOYSA-N 0 1 380.492 3.051 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000092188437 1410118188 /nfs/dbraw/zinc/11/81/88/1410118188.db2.gz DJHMIADZGBAYOK-GOSISDBHSA-N 0 1 387.915 3.132 20 0 GGADMN CN(C)c1ncc(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC000092189698 1410118446 /nfs/dbraw/zinc/11/84/46/1410118446.db2.gz HMJFPXDJOMBJKU-ZDUSSCGKSA-N 0 1 389.443 3.100 20 0 GGADMN CCOc1cc(CN2CCC[C@@H](N3CCNC3=O)C2)ccc1OCC(C)C ZINC000092189309 1410118503 /nfs/dbraw/zinc/11/85/03/1410118503.db2.gz MFXDFCVPCKLVJS-GOSISDBHSA-N 0 1 375.513 3.110 20 0 GGADMN O=C1NCCN1[C@@H]1CCCN(Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000092189258 1410118524 /nfs/dbraw/zinc/11/85/24/1410118524.db2.gz LXRYJOCBKZIWLD-HXUWFJFHSA-N 0 1 393.535 3.215 20 0 GGADMN CCOc1cc(CN2CCC[C@H](N3CCNC3=O)C2)ccc1OCC(C)C ZINC000092189308 1410118910 /nfs/dbraw/zinc/11/89/10/1410118910.db2.gz 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CCOC(=O)[C@@H]1CCCN(Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000092456157 1410159327 /nfs/dbraw/zinc/15/93/27/1410159327.db2.gz DQPLHUOMQNXUCF-QGZVFWFLSA-N 0 1 384.476 3.444 20 0 GGADMN COc1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c(OC)c1 ZINC000092480899 1410160602 /nfs/dbraw/zinc/16/06/02/1410160602.db2.gz NIEVBHCJNJTIIZ-UHFFFAOYSA-N 0 1 375.513 3.300 20 0 GGADMN COCCOc1cccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000092534488 1410168051 /nfs/dbraw/zinc/16/80/51/1410168051.db2.gz DFMLPDHSUGVGGJ-UHFFFAOYSA-N 0 1 396.531 3.379 20 0 GGADMN COc1cc(CN2C[C@@H](C)S[C@@H](C)C2)ccc1OCC(=O)N1CCCC1 ZINC000092540515 1410171352 /nfs/dbraw/zinc/17/13/52/1410171352.db2.gz ZCFMGQKXGLMRDZ-IYBDPMFKSA-N 0 1 378.538 3.022 20 0 GGADMN CCC[C@H](NC(=O)C=Cc1ccc(OCc2csc(C)n2)cc1)c1nn[nH]n1 ZINC000176787066 1428461174 /nfs/dbraw/zinc/46/11/74/1428461174.db2.gz FEBWXSFPMOILEP-JEJOPICUSA-N 0 1 398.492 3.214 20 0 GGADMN CCCOc1ccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000092585681 1410175682 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/nfs/dbraw/zinc/27/21/65/1410272165.db2.gz UAQCXSDVJTUPMB-INIZCTEOSA-N 0 1 391.899 3.370 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3cccc4[nH]ccc43)C2=O)c1 ZINC000093840880 1410273498 /nfs/dbraw/zinc/27/34/98/1410273498.db2.gz YLZYUZJKIYSEIK-OAQYLSRUSA-N 0 1 379.460 3.422 20 0 GGADMN CN(C)c1cccc(CN(C)Cc2ccccc2OCC(=O)NCC2CC2)c1 ZINC000093863570 1410274710 /nfs/dbraw/zinc/27/47/10/1410274710.db2.gz OXAHMCWWSMFIRN-UHFFFAOYSA-N 0 1 381.520 3.290 20 0 GGADMN CCN(CC1CCN(Cc2c[nH]c(C(=O)OC)c2)CC1)C(=O)OC(C)(C)C ZINC000093865637 1410276115 /nfs/dbraw/zinc/27/61/15/1410276115.db2.gz LNBXNXGHJHTJQE-UHFFFAOYSA-N 0 1 379.501 3.270 20 0 GGADMN COc1ccc(C(=O)N2CCN(CC3CCC(C)CC3)CC2)c(OC)c1OC ZINC000093867027 1410277027 /nfs/dbraw/zinc/27/70/27/1410277027.db2.gz SRLKIOWBRYLEBT-UHFFFAOYSA-N 0 1 390.524 3.297 20 0 GGADMN CCc1nsc(N2CCCN(Cc3ccc(OCC(F)F)cc3)CC2)n1 ZINC000093871488 1410277914 /nfs/dbraw/zinc/27/79/14/1410277914.db2.gz BOKKTQVKAVFJAJ-UHFFFAOYSA-N 0 1 382.480 3.457 20 0 GGADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cn1 ZINC000093908346 1410282765 /nfs/dbraw/zinc/28/27/65/1410282765.db2.gz RDJNDUSLZHSCNQ-UHFFFAOYSA-N 0 1 388.367 3.386 20 0 GGADMN Cn1cc(CNc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c(-c2cccs2)n1 ZINC000093968415 1410289890 /nfs/dbraw/zinc/28/98/90/1410289890.db2.gz LXTUEBFDZULDFD-GOSISDBHSA-N 0 1 395.532 3.210 20 0 GGADMN CC1(C)CCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000094167397 1410309248 /nfs/dbraw/zinc/30/92/48/1410309248.db2.gz QWNBTCKFZJIUCO-UHFFFAOYSA-N 0 1 394.880 3.471 20 0 GGADMN CN(CC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCSC1 ZINC000095449184 1410311472 /nfs/dbraw/zinc/31/14/72/1410311472.db2.gz MAXCJIULXZKOOB-GOSISDBHSA-N 0 1 380.517 3.079 20 0 GGADMN CC(C)CO[C@H](C)c1noc(CN2CCC(CCCN3CCOCC3)CC2)n1 ZINC000095468474 1410313468 /nfs/dbraw/zinc/31/34/68/1410313468.db2.gz UEHLJUBLMCMXRB-GOSISDBHSA-N 0 1 394.560 3.128 20 0 GGADMN Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCN2CCOCC2)C3)cc1 ZINC000095957571 1410317050 /nfs/dbraw/zinc/31/70/50/1410317050.db2.gz ZKUVMZCMPDLMGJ-UHFFFAOYSA-N 0 1 394.519 3.329 20 0 GGADMN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000096979100 1410342153 /nfs/dbraw/zinc/34/21/53/1410342153.db2.gz FSCYHSPUJVPNIS-KRWDZBQOSA-N 0 1 391.899 3.348 20 0 GGADMN COc1ccc(CN2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1F ZINC000096981931 1410342417 /nfs/dbraw/zinc/34/24/17/1410342417.db2.gz IGXZHRJLASKRHD-UHFFFAOYSA-N 0 1 380.467 3.338 20 0 GGADMN C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000096994027 1410342771 /nfs/dbraw/zinc/34/27/71/1410342771.db2.gz SAOGABWGNMMZAU-STQMWFEESA-N 0 1 397.445 3.231 20 0 GGADMN C[C@@H](NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C)C(=O)N1CCCCC1 ZINC000097079347 1410351224 /nfs/dbraw/zinc/35/12/24/1410351224.db2.gz RKSNTGXPAREOQA-DNVCBOLYSA-N 0 1 377.504 3.020 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1cccs1 ZINC000097089618 1410351476 /nfs/dbraw/zinc/35/14/76/1410351476.db2.gz WQLZTEDIQNRILF-LSDHHAIUSA-N 0 1 391.562 3.223 20 0 GGADMN CC(C)[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000097106195 1410352352 /nfs/dbraw/zinc/35/23/52/1410352352.db2.gz WIHXLHTZUALWFW-FQEVSTJZSA-N 0 1 378.428 3.426 20 0 GGADMN COc1ccc(OCCCN2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000097138066 1410354556 /nfs/dbraw/zinc/35/45/56/1410354556.db2.gz OHOVKMRGQGYZOC-UHFFFAOYSA-N 0 1 386.467 3.451 20 0 GGADMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(C)oc3c2)cc1 ZINC000097165060 1410356195 /nfs/dbraw/zinc/35/61/95/1410356195.db2.gz PMRLTIQYRCTZTI-UHFFFAOYSA-N 0 1 387.461 3.419 20 0 GGADMN CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000097250133 1410359976 /nfs/dbraw/zinc/35/99/76/1410359976.db2.gz WBULMEAMZZPJKJ-OAHLLOKOSA-N 0 1 398.334 3.010 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2csc(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000097253005 1410360089 /nfs/dbraw/zinc/36/00/89/1410360089.db2.gz JBTRGSHSWUKWKM-OKILXGFUSA-N 0 1 377.485 3.178 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)n[nH]1 ZINC000097357504 1410366111 /nfs/dbraw/zinc/36/61/11/1410366111.db2.gz PFZKQIMEFNJQQX-UHFFFAOYSA-N 0 1 392.507 3.299 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)[nH]n1 ZINC000097358815 1410366570 /nfs/dbraw/zinc/36/65/70/1410366570.db2.gz ADKMGAMLJMPXFF-QGZVFWFLSA-N 0 1 395.463 3.237 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000097358839 1410366615 /nfs/dbraw/zinc/36/66/15/1410366615.db2.gz AICWKVMPGIBSMF-UHFFFAOYSA-N 0 1 398.463 3.266 20 0 GGADMN COc1ccc(CN(C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)C2CC2)cc1 ZINC000097358216 1410366672 /nfs/dbraw/zinc/36/66/72/1410366672.db2.gz GIDLPWJNKNOCIS-UHFFFAOYSA-N 0 1 379.464 3.240 20 0 GGADMN COc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)c1 ZINC000097358308 1410366725 /nfs/dbraw/zinc/36/67/25/1410366725.db2.gz VCFWUPCCXNUIMS-IBGZPJMESA-N 0 1 379.464 3.413 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CCCOc2ccc(F)cc2)n[nH]1 ZINC000097359041 1410366800 /nfs/dbraw/zinc/36/68/00/1410366800.db2.gz HDGBHQVYIQAYAZ-UHFFFAOYSA-N 0 1 385.443 3.107 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000097358173 1410366897 /nfs/dbraw/zinc/36/68/97/1410366897.db2.gz BUOYDEYBFPYPJC-UHFFFAOYSA-N 0 1 397.479 3.107 20 0 GGADMN CCOc1cc2c(cc1NC(=O)c1cc(-c3c(C)nn(C)c3C)n[nH]1)O[C@@H](C)C2 ZINC000097360467 1410367636 /nfs/dbraw/zinc/36/76/36/1410367636.db2.gz KFZZHLJZEGFUFN-NSHDSACASA-N 0 1 395.463 3.401 20 0 GGADMN Cc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(=O)[nH]1 ZINC000097465371 1410370770 /nfs/dbraw/zinc/37/07/70/1410370770.db2.gz NNYRMWBJKPOXGS-UHFFFAOYSA-N 0 1 393.409 3.050 20 0 GGADMN Cc1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n(C)n1 ZINC000097513509 1410373346 /nfs/dbraw/zinc/37/33/46/1410373346.db2.gz KZTSFMMENQKFJK-UHFFFAOYSA-N 0 1 380.414 3.095 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000097570255 1410378120 /nfs/dbraw/zinc/37/81/20/1410378120.db2.gz QIBLDOQBLHYCIJ-SIKLNZKXSA-N 0 1 399.579 3.368 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)[nH]n1 ZINC000097695694 1410388941 /nfs/dbraw/zinc/38/89/41/1410388941.db2.gz KQPSCRPUWTXQHG-UHFFFAOYSA-N 0 1 394.479 3.208 20 0 GGADMN O=C(CCc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1)N1CCCC1 ZINC000097728456 1410392434 /nfs/dbraw/zinc/39/24/34/1410392434.db2.gz GYRQHPRJMBNTBS-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)N1CCN(C)CC1 ZINC000098025501 1410395121 /nfs/dbraw/zinc/39/51/21/1410395121.db2.gz CJSVGSDIHCSEJS-NRFANRHFSA-N 0 1 387.572 3.070 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)Cc1ccc(O)cc1)N1CCCC1 ZINC000098029271 1410397537 /nfs/dbraw/zinc/39/75/37/1410397537.db2.gz NEWNSHONAYDUFL-UWJYYQICSA-N 0 1 397.519 3.468 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N3CCC[C@H](CO)C3)cc2Cl)CC1 ZINC000098029765 1410397973 /nfs/dbraw/zinc/39/79/73/1410397973.db2.gz YPRDSGFWXOMDPO-INIZCTEOSA-N 0 1 394.947 3.108 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000098098774 1410414450 /nfs/dbraw/zinc/41/44/50/1410414450.db2.gz PUSWLQPSEHVAOU-IBGZPJMESA-N 0 1 386.467 3.420 20 0 GGADMN CCN(CC)CCN(CC(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000098104646 1410418388 /nfs/dbraw/zinc/41/83/88/1410418388.db2.gz YOUNRLVNWAGVBK-UHFFFAOYSA-N 0 1 388.961 3.184 20 0 GGADMN C[C@H]1CN(CCCNC(=O)c2nc(-c3ccccc3)oc2C2CC2)C[C@H](C)O1 ZINC000098115943 1410425522 /nfs/dbraw/zinc/42/55/22/1410425522.db2.gz YCOUFBJCGSBKBF-HOTGVXAUSA-N 0 1 383.492 3.448 20 0 GGADMN Cc1ccc(CNC(=O)CNc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000098127275 1410429380 /nfs/dbraw/zinc/42/93/80/1410429380.db2.gz GWOQGEAMYJLLJQ-QZTJIDSGSA-N 0 1 399.510 3.472 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cn2cccnc2n1 ZINC000098133449 1410430338 /nfs/dbraw/zinc/43/03/38/1410430338.db2.gz RVBHMGXQWLZBII-UHFFFAOYSA-N 0 1 378.455 3.334 20 0 GGADMN C[C@@H]1CCCN(C(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1 ZINC000098133461 1410430645 /nfs/dbraw/zinc/43/06/45/1410430645.db2.gz QHEWHUPLFKKCMV-QGZVFWFLSA-N 0 1 386.515 3.349 20 0 GGADMN O=C(c1ccc(Cl)cc1)N1CCCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000098135802 1410431693 /nfs/dbraw/zinc/43/16/93/1410431693.db2.gz HTPPQPJYRXWKGI-LJQANCHMSA-N 0 1 376.859 3.361 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)cc2)cs1 ZINC000176821454 1428484021 /nfs/dbraw/zinc/48/40/21/1428484021.db2.gz QCOPXCAQHFJVCG-INIZCTEOSA-N 0 1 386.521 3.305 20 0 GGADMN Cc1nn(C)c(C)c1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000101518936 1410444893 /nfs/dbraw/zinc/44/48/93/1410444893.db2.gz QXRPXKDJOJAJSW-UHFFFAOYSA-N 0 1 383.496 3.104 20 0 GGADMN CC(=O)c1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)n(C)c1 ZINC000101518932 1410445160 /nfs/dbraw/zinc/44/51/60/1410445160.db2.gz PKHRRGQFIIJLQE-UHFFFAOYSA-N 0 1 396.491 3.295 20 0 GGADMN C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000101521207 1410446518 /nfs/dbraw/zinc/44/65/18/1410446518.db2.gz OQOVSYXENFWYTK-CYBMUJFWSA-N 0 1 395.438 3.059 20 0 GGADMN CSc1ccc(NC(=O)C(=O)NCCN(C)Cc2ccccc2)cc1Cl ZINC000176821913 1428484784 /nfs/dbraw/zinc/48/47/84/1428484784.db2.gz WTOVUSTURVEDJX-UHFFFAOYSA-N 0 1 391.924 3.249 20 0 GGADMN CCCN(C(=O)c1cc(C(N)=O)cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000101523259 1410447178 /nfs/dbraw/zinc/44/71/78/1410447178.db2.gz BSJJCRSQBDFGAO-SFHVURJKSA-N 0 1 385.533 3.364 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000101523227 1410447285 /nfs/dbraw/zinc/44/72/85/1410447285.db2.gz SKKXEKSTHABXLR-LBPRGKRZSA-N 0 1 376.432 3.079 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cn(-c3cccc(C)c3)nn2)N2CCCC2)o1 ZINC000101527325 1410448676 /nfs/dbraw/zinc/44/86/76/1410448676.db2.gz KVAGNEYKIAAEKP-IBGZPJMESA-N 0 1 379.464 3.044 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cn(-c3ccc(C)cc3)nn2)N2CCCC2)o1 ZINC000101527566 1410448692 /nfs/dbraw/zinc/44/86/92/1410448692.db2.gz QDAJKBWVIYABPD-LJQANCHMSA-N 0 1 379.464 3.044 20 0 GGADMN Cc1ccc([C@H](CNC(=O)CSCc2c(C)noc2C)N2CCCC2)o1 ZINC000101527893 1410448785 /nfs/dbraw/zinc/44/87/85/1410448785.db2.gz CHKRUUAZMMFPMA-KRWDZBQOSA-N 0 1 377.510 3.379 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)N2CCCC2)o1 ZINC000101527737 1410448864 /nfs/dbraw/zinc/44/88/64/1410448864.db2.gz HHBCCMRFHKTDRI-SJLPKXTDSA-N 0 1 385.439 3.106 20 0 GGADMN COc1ccc2c(c1)OCC(C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)=C2 ZINC000101527751 1410448938 /nfs/dbraw/zinc/44/89/38/1410448938.db2.gz CQRVDMRDANRIIS-IBGZPJMESA-N 0 1 382.460 3.326 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)N2CCCC2)o1 ZINC000101527947 1410449659 /nfs/dbraw/zinc/44/96/59/1410449659.db2.gz RDNKNKZISVIVPO-TZIWHRDSSA-N 0 1 397.519 3.296 20 0 GGADMN CCC[C@H](NC(=O)c1[nH]nc2c1CCC2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000101530731 1410449931 /nfs/dbraw/zinc/44/99/31/1410449931.db2.gz AZMUKOBJKDTRRV-IBGZPJMESA-N 0 1 395.507 3.036 20 0 GGADMN O=C(CN1CCC[C@@H]1c1ccc[nH]1)Nc1cccc(CN2CCSCC2)c1 ZINC000101544969 1410456760 /nfs/dbraw/zinc/45/67/60/1410456760.db2.gz HZJZJEVWIZHHHA-HXUWFJFHSA-N 0 1 384.549 3.339 20 0 GGADMN O=C(CN1CCC[C@H]1c1ccc[nH]1)Nc1cccc(CN2CCSCC2)c1 ZINC000101544971 1410457468 /nfs/dbraw/zinc/45/74/68/1410457468.db2.gz HZJZJEVWIZHHHA-FQEVSTJZSA-N 0 1 384.549 3.339 20 0 GGADMN COC(=O)c1ccc(N2CCN(Cc3cccc(NC(C)=O)c3)[C@@H](C)C2)cc1 ZINC000101549728 1410459656 /nfs/dbraw/zinc/45/96/56/1410459656.db2.gz SJOZIVDSPSMCBX-INIZCTEOSA-N 0 1 381.476 3.142 20 0 GGADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CCc1cccc2ccccc21 ZINC000101556444 1410463783 /nfs/dbraw/zinc/46/37/83/1410463783.db2.gz BYABAFUPMBFVOB-MRXNPFEDSA-N 0 1 375.472 3.440 20 0 GGADMN CN(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1-c1ccccc1 ZINC000101560328 1410464664 /nfs/dbraw/zinc/46/46/64/1410464664.db2.gz HDTNOMRONDOHSK-UHFFFAOYSA-N 0 1 380.488 3.151 20 0 GGADMN C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC(Nc2ccccc2)CC1 ZINC000101560693 1410465043 /nfs/dbraw/zinc/46/50/43/1410465043.db2.gz DCFDUVJNACSGGT-HNNXBMFYSA-N 0 1 384.455 3.439 20 0 GGADMN Cc1ccc(OC[C@@H](O)CN2CCCN(C(=O)Oc3ccccc3)CC2)c(C)c1 ZINC000101567051 1410466254 /nfs/dbraw/zinc/46/62/54/1410466254.db2.gz USCODJHIOLPFLG-FQEVSTJZSA-N 0 1 398.503 3.250 20 0 GGADMN C[C@H](NS(=O)(=O)CC1CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000101581921 1410472463 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O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)OCc2ccc3[nH]nnc3c2)C1 ZINC000117089711 1412997356 /nfs/dbraw/zinc/99/73/56/1412997356.db2.gz VWIIYCWKDNXQPE-CQSZACIVSA-N 0 1 397.410 3.084 20 0 GGADMN O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)OCc2ccc3nn[nH]c3c2)C1 ZINC000117089711 1412997361 /nfs/dbraw/zinc/99/73/61/1412997361.db2.gz VWIIYCWKDNXQPE-CQSZACIVSA-N 0 1 397.410 3.084 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)OCc1ccc2[nH]nnc2c1 ZINC000117089321 1412997374 /nfs/dbraw/zinc/99/73/74/1412997374.db2.gz FTMAXYYIBZIUOU-JTQLQIEISA-N 0 1 376.210 3.231 20 0 GGADMN C[C@H](Oc1ccccc1Br)C(=O)OCc1ccc2nn[nH]c2c1 ZINC000117089321 1412997381 /nfs/dbraw/zinc/99/73/81/1412997381.db2.gz FTMAXYYIBZIUOU-JTQLQIEISA-N 0 1 376.210 3.231 20 0 GGADMN O=C(OCc1ccc2[nH]nnc2c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000117089183 1412997431 /nfs/dbraw/zinc/99/74/31/1412997431.db2.gz KSFFPCLIDGOESQ-UHFFFAOYSA-N 0 1 394.818 3.178 20 0 GGADMN O=C(OCc1ccc2nn[nH]c2c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000117089183 1412997437 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ZINC000177403894 1428720575 /nfs/dbraw/zinc/72/05/75/1428720575.db2.gz YYKKCMKKEGCUQY-MOPGFXCFSA-N 0 1 389.540 3.243 20 0 GGADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000119157458 1413358958 /nfs/dbraw/zinc/35/89/58/1413358958.db2.gz SFMDAWUDFAEHRG-ZDUSSCGKSA-N 0 1 381.745 3.391 20 0 GGADMN CC(C)Cn1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cn1 ZINC000119161517 1413359967 /nfs/dbraw/zinc/35/99/67/1413359967.db2.gz XVBVXWWFNDLTHR-OAHLLOKOSA-N 0 1 392.385 3.195 20 0 GGADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc(F)n1 ZINC000119162421 1413360966 /nfs/dbraw/zinc/36/09/66/1413360966.db2.gz FLUJINWGANMIIX-UHFFFAOYSA-N 0 1 391.450 3.190 20 0 GGADMN Cc1ncc(Cl)c(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000119165836 1413362069 /nfs/dbraw/zinc/36/20/69/1413362069.db2.gz RDSHRSGTCGXQIZ-GFCCVEGCSA-N 0 1 396.760 3.095 20 0 GGADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(F)ccc1O ZINC000119181457 1413367860 /nfs/dbraw/zinc/36/78/60/1413367860.db2.gz IGEXFKACDKYUGQ-CQSZACIVSA-N 0 1 380.301 3.188 20 0 GGADMN COc1ccc([C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C2CC2)cc1 ZINC000119182137 1413368223 /nfs/dbraw/zinc/36/82/23/1413368223.db2.gz BHYOGQGKRJPMMO-LJQANCHMSA-N 0 1 395.484 3.335 20 0 GGADMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1nc(Br)cs1 ZINC000119196629 1413372393 /nfs/dbraw/zinc/37/23/93/1413372393.db2.gz ABHGXNVKCFHJDO-ZDUSSCGKSA-N 0 1 380.311 3.473 20 0 GGADMN Cc1cccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1O ZINC000119198064 1413373219 /nfs/dbraw/zinc/37/32/19/1413373219.db2.gz JTWZXMKBOJRXAK-AWEZNQCLSA-N 0 1 376.338 3.357 20 0 GGADMN CCO[C@H]1C[C@H](N(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1(CC)CC ZINC000177406524 1428721808 /nfs/dbraw/zinc/72/18/08/1428721808.db2.gz SLAAGRODDOCXBA-OALUTQOASA-N 0 1 389.540 3.243 20 0 GGADMN Cc1nc(CC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)s1 ZINC000119205641 1413375155 /nfs/dbraw/zinc/37/51/55/1413375155.db2.gz DSEWVOCNCHSGIM-HNNXBMFYSA-N 0 1 395.410 3.345 20 0 GGADMN CC[C@@H]1C[C@@H](C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)CCO1 ZINC000119209447 1413376321 /nfs/dbraw/zinc/37/63/21/1413376321.db2.gz KQUVCEXRNFQYSU-CFVMTHIKSA-N 0 1 382.386 3.234 20 0 GGADMN C[C@@H](CNC(=O)NC1(c2cccc(Cl)c2)CCCC1)CN1CC[NH+](C)CC1 ZINC000119221291 1413379897 /nfs/dbraw/zinc/37/98/97/1413379897.db2.gz JJTNKUWULGXXHG-KRWDZBQOSA-N 0 1 392.975 3.292 20 0 GGADMN C[C@]1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCCO1 ZINC000119224726 1413380983 /nfs/dbraw/zinc/38/09/83/1413380983.db2.gz OWSWNCDTQQJVEB-HXUWFJFHSA-N 0 1 379.932 3.420 20 0 GGADMN CO[C@@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000119227268 1413381477 /nfs/dbraw/zinc/38/14/77/1413381477.db2.gz CEJVMEOTTZGJQB-HZPDHXFCSA-N 0 1 390.365 3.417 20 0 GGADMN O=C(CSCC(F)(F)F)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000119235457 1413384725 /nfs/dbraw/zinc/38/47/25/1413384725.db2.gz YWZNNAARVIQGCL-NSHDSACASA-N 0 1 398.332 3.325 20 0 GGADMN CCOc1cc(C)ccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119256102 1413390888 /nfs/dbraw/zinc/39/08/88/1413390888.db2.gz XOIJYTPFBYTHLV-INIZCTEOSA-N 0 1 376.522 3.495 20 0 GGADMN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nc(-c2ccco2)n[nH]1 ZINC000119278907 1413397516 /nfs/dbraw/zinc/39/75/16/1413397516.db2.gz KRARAOXBUJFWJK-UHFFFAOYSA-N 0 1 377.360 3.270 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000119291188 1413401107 /nfs/dbraw/zinc/40/11/07/1413401107.db2.gz IQNKNPVKSLCYGE-UHFFFAOYSA-N 0 1 397.425 3.201 20 0 GGADMN O=C(NCCCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000119298612 1413402964 /nfs/dbraw/zinc/40/29/64/1413402964.db2.gz DFLOQKKGVKOGEH-OAHLLOKOSA-N 0 1 393.495 3.080 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000119302140 1413404562 /nfs/dbraw/zinc/40/45/62/1413404562.db2.gz ZUBJGIAEZCZXMH-GJZGRUSLSA-N 0 1 384.436 3.055 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccccc1 ZINC000177412794 1428725338 /nfs/dbraw/zinc/72/53/38/1428725338.db2.gz YIECABJBVUJGPJ-FZKQIMNGSA-N 0 1 392.402 3.367 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 ZINC000177412463 1428725587 /nfs/dbraw/zinc/72/55/87/1428725587.db2.gz KLBGAUFPSWFIQL-BFUOFWGJSA-N 0 1 390.867 3.427 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000119309156 1413407007 /nfs/dbraw/zinc/40/70/07/1413407007.db2.gz XPPNKIQJQOFWBB-MAUKXSAKSA-N 0 1 396.491 3.105 20 0 GGADMN CCn1c2ccccc2nc1[C@H](C)NC[C@@H](O)COCc1ccccc1OC ZINC000119322288 1413411584 /nfs/dbraw/zinc/41/15/84/1413411584.db2.gz UEUIPIMPQOIVQJ-FUHWJXTLSA-N 0 1 383.492 3.293 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000177414271 1428726089 /nfs/dbraw/zinc/72/60/89/1428726089.db2.gz KXHMTIWJMOQAHK-YWZLYKJASA-N 0 1 384.480 3.077 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc(F)cc1NC1CC1 ZINC000119330627 1413414361 /nfs/dbraw/zinc/41/43/61/1413414361.db2.gz UIEKNJWQWVZLSD-UHFFFAOYSA-N 0 1 381.411 3.035 20 0 GGADMN CC[C@@]1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)CC[NH2+]C1 ZINC000119331284 1413414387 /nfs/dbraw/zinc/41/43/87/1413414387.db2.gz UYNFVFCVJAVPDC-HXUWFJFHSA-N 0 1 387.505 3.124 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC1(c2ccccc2F)CC1 ZINC000119332984 1413415208 /nfs/dbraw/zinc/41/52/08/1413415208.db2.gz CHJDPZGHBLZVST-UHFFFAOYSA-N 0 1 383.448 3.394 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N(C)Cc2cc(Cl)cn2C)N(C)C)c1 ZINC000119344006 1413418476 /nfs/dbraw/zinc/41/84/76/1413418476.db2.gz PWTGSJFGVXTWRH-GOSISDBHSA-N 0 1 378.904 3.131 20 0 GGADMN CCc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1F ZINC000119351521 1413421011 /nfs/dbraw/zinc/42/10/11/1413421011.db2.gz PGEDELLUIJGKIH-BEFAXECRSA-N 0 1 383.467 3.106 20 0 GGADMN C[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000119355695 1413422158 /nfs/dbraw/zinc/42/21/58/1413422158.db2.gz MAZIGHBSKWWJMB-MGPUTAFESA-N 0 1 387.911 3.119 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3C(F)(F)F)C2)CC1 ZINC000119365048 1413425431 /nfs/dbraw/zinc/42/54/31/1413425431.db2.gz UPMWGFSRGGURJB-IAGOWNOFSA-N 0 1 397.485 3.437 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)C[C@H](C)c3ccccc3C(F)(F)F)C2)CC1 ZINC000119365407 1413425592 /nfs/dbraw/zinc/42/55/92/1413425592.db2.gz UPMWGFSRGGURJB-IRXDYDNUSA-N 0 1 397.485 3.437 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2)C[C@H](C)O1 ZINC000119367592 1413426422 /nfs/dbraw/zinc/42/64/22/1413426422.db2.gz NLRXVPLGGGOTDU-IYBDPMFKSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2)C[C@@H](C)O1 ZINC000119367867 1413426492 /nfs/dbraw/zinc/42/64/92/1413426492.db2.gz NLRXVPLGGGOTDU-HZPDHXFCSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cccc(F)c3F)cc2)C[C@@H](C)O1 ZINC000119369584 1413426941 /nfs/dbraw/zinc/42/69/41/1413426941.db2.gz ASPRANURWMIORJ-HZPDHXFCSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCSc3ccccn3)cc2)C[C@H](C)O1 ZINC000119369713 1413426959 /nfs/dbraw/zinc/42/69/59/1413426959.db2.gz CIBXKHZYKZGHCN-HDICACEKSA-N 0 1 399.560 3.489 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3c(F)cccc3F)cc2)C[C@H](C)O1 ZINC000119370770 1413427112 /nfs/dbraw/zinc/42/71/12/1413427112.db2.gz SXENTLQKOYLISU-IYBDPMFKSA-N 0 1 388.458 3.433 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2)C[C@@H](C)O1 ZINC000119371452 1413427600 /nfs/dbraw/zinc/42/76/00/1413427600.db2.gz WCLLAISGHRJXEP-HZPDHXFCSA-N 0 1 388.458 3.433 20 0 GGADMN O=C(CN1CCC[C@H](Cn2ccnn2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000119371558 1413427638 /nfs/dbraw/zinc/42/76/38/1413427638.db2.gz FHSSJOCTBAQUJZ-HTAPYJJXSA-N 0 1 399.514 3.177 20 0 GGADMN COc1ccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000119376156 1413429059 /nfs/dbraw/zinc/42/90/59/1413429059.db2.gz VPWHHOCTFLTCLA-IJEWVQPXSA-N 0 1 382.382 3.389 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000119390367 1413432391 /nfs/dbraw/zinc/43/23/91/1413432391.db2.gz GHMAZMFUDZIAKL-QGZVFWFLSA-N 0 1 377.960 3.195 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000177417125 1428727559 /nfs/dbraw/zinc/72/75/59/1428727559.db2.gz PEEXLEXDXWKAIQ-FZKQIMNGSA-N 0 1 392.402 3.367 20 0 GGADMN O=C(CCC(=O)NC1CCCC1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000119413920 1413439267 /nfs/dbraw/zinc/43/92/67/1413439267.db2.gz MZTLBPZASSLFLB-LJQANCHMSA-N 0 1 391.943 3.432 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000119430129 1413444907 /nfs/dbraw/zinc/44/49/07/1413444907.db2.gz YAVBBDPZOXCJTR-UHFFFAOYSA-N 0 1 379.589 3.336 20 0 GGADMN COC(=O)[C@H](C)[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000177418795 1428728326 /nfs/dbraw/zinc/72/83/26/1428728326.db2.gz UYAONWOTKYQKAY-HVETUWLQSA-N 0 1 380.488 3.394 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000177418541 1428728528 /nfs/dbraw/zinc/72/85/28/1428728528.db2.gz OUACUFOBPDQNJW-HTAPYJJXSA-N 0 1 395.503 3.365 20 0 GGADMN C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000119446664 1413449350 /nfs/dbraw/zinc/44/93/50/1413449350.db2.gz SMTLOKJKQRYCCT-RDTXWAMCSA-N 0 1 386.471 3.194 20 0 GGADMN COc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C ZINC000119448647 1413450288 /nfs/dbraw/zinc/45/02/88/1413450288.db2.gz ZIEJPUFFIODGRA-HNNXBMFYSA-N 0 1 392.521 3.323 20 0 GGADMN CC1(C)CN(Cc2cnc(N3CCOCC3)s2)CC[N@H+]1Cc1ccccc1 ZINC000119454998 1413451978 /nfs/dbraw/zinc/45/19/78/1413451978.db2.gz JOZUHRUDPRNOMC-UHFFFAOYSA-N 0 1 386.565 3.076 20 0 GGADMN CC[C@H](CNC(=O)N1CCO[C@@H](c2ccco2)C1)[N@H+]1CCc2ccccc2C1 ZINC000119454112 1413452182 /nfs/dbraw/zinc/45/21/82/1413452182.db2.gz FJJAITBQAUOQPI-TZIWHRDSSA-N 0 1 383.492 3.199 20 0 GGADMN CC[C@H](CNC(=O)N1CCO[C@H](c2ccco2)C1)[N@H+]1CCc2ccccc2C1 ZINC000119453838 1413452350 /nfs/dbraw/zinc/45/23/50/1413452350.db2.gz FJJAITBQAUOQPI-CTNGQTDRSA-N 0 1 383.492 3.199 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000119457424 1413453859 /nfs/dbraw/zinc/45/38/59/1413453859.db2.gz DPHRZHDSGKPLNB-STQMWFEESA-N 0 1 379.476 3.278 20 0 GGADMN COC(=O)[C@@H](C)[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1 ZINC000177410690 1428724054 /nfs/dbraw/zinc/72/40/54/1428724054.db2.gz CTYKRDWKOAEUJY-UWJYYQICSA-N 0 1 380.488 3.322 20 0 GGADMN O=C(C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1)[N-]OCc1ccccc1 ZINC000119462743 1413456021 /nfs/dbraw/zinc/45/60/21/1413456021.db2.gz ATYDVQOPWJXSOX-HXUWFJFHSA-N 0 1 380.444 3.063 20 0 GGADMN COC(=O)[C@H](C)[C@H](NCc1cc(=O)oc2cc(OC)ccc12)c1ccccc1 ZINC000177410045 1428724160 /nfs/dbraw/zinc/72/41/60/1428724160.db2.gz HHLUTDVPJLGATO-SZNDQCEHSA-N 0 1 381.428 3.442 20 0 GGADMN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000119471018 1413458245 /nfs/dbraw/zinc/45/82/45/1413458245.db2.gz GMSXHUYHRKQILL-KBPBESRZSA-N 0 1 379.476 3.135 20 0 GGADMN COC(=O)[C@@H](C)[C@@H](NCc1cc(=O)oc2c(C)c(O)ccc12)c1ccccc1 ZINC000177411502 1428724546 /nfs/dbraw/zinc/72/45/46/1428724546.db2.gz XSNXPFZDDUVVRJ-VBKZILBWSA-N 0 1 381.428 3.447 20 0 GGADMN CCCOc1cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC ZINC000119483961 1413462382 /nfs/dbraw/zinc/46/23/82/1413462382.db2.gz OIUCWSJGBHDVBT-HNNXBMFYSA-N 0 1 392.521 3.324 20 0 GGADMN CCOC(=O)c1sc(NC(=O)c2cccc(-c3nnc[nH]3)c2)nc1C(C)C ZINC000119484010 1413462644 /nfs/dbraw/zinc/46/26/44/1413462644.db2.gz SRALSAICGHFZBN-UHFFFAOYSA-N 0 1 385.449 3.481 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C[C@H](C)O1 ZINC000119522618 1413474571 /nfs/dbraw/zinc/47/45/71/1413474571.db2.gz IZIHJEQUQDPEGX-HDICACEKSA-N 0 1 396.535 3.044 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1OCC1CCOCC1 ZINC000119525491 1413475146 /nfs/dbraw/zinc/47/51/46/1413475146.db2.gz ZEXXPHYZGLAVCL-UHFFFAOYSA-N 0 1 387.524 3.360 20 0 GGADMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000119531332 1413477312 /nfs/dbraw/zinc/47/73/12/1413477312.db2.gz PSWQOBLPXKHLMS-IBGZPJMESA-N 0 1 390.531 3.427 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000119531530 1413477355 /nfs/dbraw/zinc/47/73/55/1413477355.db2.gz PSWQOBLPXKHLMS-LJQANCHMSA-N 0 1 390.531 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O=C(CN1CCCCC[C@H]1/C=C/c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000122279722 1414410012 /nfs/dbraw/zinc/41/00/12/1414410012.db2.gz QWWMJKGHIFPXTB-ZJVMWOEPSA-N 0 1 384.520 3.310 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1CCc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964617 1428805802 /nfs/dbraw/zinc/80/58/02/1428805802.db2.gz MBGWWQXGGWRHQN-FQEVSTJZSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@H]1CCc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964617 1428805807 /nfs/dbraw/zinc/80/58/07/1428805807.db2.gz MBGWWQXGGWRHQN-FQEVSTJZSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@H+]1CCC[C@H]1CCc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964617 1428805810 /nfs/dbraw/zinc/80/58/10/1428805810.db2.gz MBGWWQXGGWRHQN-FQEVSTJZSA-N 0 1 390.491 3.293 20 0 GGADMN CCN(C(=O)C(=O)Nc1cc(C)ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000122285202 1414411651 /nfs/dbraw/zinc/41/16/51/1414411651.db2.gz DHQJALNTYVXDQF-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000122288889 1414412965 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1414440061 /nfs/dbraw/zinc/44/00/61/1414440061.db2.gz NTVCFOITBJQCLV-IAGOWNOFSA-N 0 1 377.872 3.103 20 0 GGADMN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177617585 1428812258 /nfs/dbraw/zinc/81/22/58/1428812258.db2.gz HEOVXQDAAGGVII-JXFKEZNVSA-N 0 1 394.943 3.395 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C[C@@H]1C ZINC000122397339 1414446236 /nfs/dbraw/zinc/44/62/36/1414446236.db2.gz RZUVBXWOWJGCTQ-GASCZTMLSA-N 0 1 385.483 3.433 20 0 GGADMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177606176 1428809108 /nfs/dbraw/zinc/80/91/08/1428809108.db2.gz XLLWVHJDZWOXBO-KRWDZBQOSA-N 0 1 389.883 3.297 20 0 GGADMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177606191 1428809224 /nfs/dbraw/zinc/80/92/24/1428809224.db2.gz XLLWVHJDZWOXBO-QGZVFWFLSA-N 0 1 389.883 3.297 20 0 GGADMN O=C(CCOC[C@H]1CCCO1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000122406942 1414448847 /nfs/dbraw/zinc/44/88/47/1414448847.db2.gz BMZWHPUOIPZVAL-XMSQKQJNSA-N 0 1 379.460 3.354 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2nc(C(C)C)ncc2Cl)N(C)C)c1 ZINC000122410946 1414450684 /nfs/dbraw/zinc/45/06/84/1414450684.db2.gz DEMKXYAPEIULQJ-INIZCTEOSA-N 0 1 376.888 3.295 20 0 GGADMN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)oc1C ZINC000822441043 1428810048 /nfs/dbraw/zinc/81/00/48/1428810048.db2.gz QGQKTEKAFSROKY-OAHLLOKOSA-N 0 1 395.511 3.034 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000122443978 1414461932 /nfs/dbraw/zinc/46/19/32/1414461932.db2.gz ULSOBNGXZLYFFD-OALUTQOASA-N 0 1 376.570 3.362 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000122461348 1414468332 /nfs/dbraw/zinc/46/83/32/1414468332.db2.gz PAHLQTMPHISNBG-RDTXWAMCSA-N 0 1 382.476 3.020 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000122461165 1414468859 /nfs/dbraw/zinc/46/88/59/1414468859.db2.gz PAHLQTMPHISNBG-KBXCAEBGSA-N 0 1 382.476 3.020 20 0 GGADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000122468415 1414470773 /nfs/dbraw/zinc/47/07/73/1414470773.db2.gz QFRNIDGLXQAMDS-JXFKEZNVSA-N 0 1 375.534 3.470 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4c3cccc4Cl)n2)cc1 ZINC000122489662 1414478267 /nfs/dbraw/zinc/47/82/67/1414478267.db2.gz QRCZKSFUADJPRK-UHFFFAOYSA-N 0 1 383.839 3.406 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4c3cccc4Cl)n[nH]2)cc1 ZINC000122489662 1414478278 /nfs/dbraw/zinc/47/82/78/1414478278.db2.gz QRCZKSFUADJPRK-UHFFFAOYSA-N 0 1 383.839 3.406 20 0 GGADMN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000122490675 1414479587 /nfs/dbraw/zinc/47/95/87/1414479587.db2.gz MUWRRVPZJNKJIU-SJKOYZFVSA-N 0 1 388.316 3.479 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCCNc3ccc(C)cn3)n2)cc1 ZINC000122505734 1414484604 /nfs/dbraw/zinc/48/46/04/1414484604.db2.gz MWSXCEUZUNMNNI-UHFFFAOYSA-N 0 1 396.520 3.194 20 0 GGADMN COCCCOC1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000122505995 1414484701 /nfs/dbraw/zinc/48/47/01/1414484701.db2.gz UJZFNBKGMWHDCS-HNNXBMFYSA-N 0 1 384.467 3.002 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000122514228 1414486850 /nfs/dbraw/zinc/48/68/50/1414486850.db2.gz FSIRSMAFILACSP-DLBZAZTESA-N 0 1 391.512 3.180 20 0 GGADMN CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CN1Cc1ccccc1 ZINC000824791006 1428817205 /nfs/dbraw/zinc/81/72/05/1428817205.db2.gz VHPGULARWAKDOE-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CN1Cc1ccccc1 ZINC000824791006 1428817209 /nfs/dbraw/zinc/81/72/09/1428817209.db2.gz VHPGULARWAKDOE-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)ccc1F ZINC000122515879 1414487790 /nfs/dbraw/zinc/48/77/90/1414487790.db2.gz YLIICDKVQAHANK-UHFFFAOYSA-N 0 1 386.470 3.377 20 0 GGADMN O=C(CN1CCC(OC[C@@H]2CCCCO2)CC1)NCCc1ccc(Cl)cc1 ZINC000177618793 1428812671 /nfs/dbraw/zinc/81/26/71/1428812671.db2.gz QDXVHCWSGFBXOE-FQEVSTJZSA-N 0 1 394.943 3.049 20 0 GGADMN COc1ccnc(N2CCN(C(=O)CCc3ccc(Cl)c(OC)c3)CC2)c1 ZINC000122537011 1414493709 /nfs/dbraw/zinc/49/37/09/1414493709.db2.gz ZGGFATPTVYXMBK-UHFFFAOYSA-N 0 1 389.883 3.034 20 0 GGADMN CC[C@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1CCCO1 ZINC000122544180 1414495891 /nfs/dbraw/zinc/49/58/91/1414495891.db2.gz IAYCJAJBRXYGAL-KJNZLNQQSA-N 0 1 389.540 3.053 20 0 GGADMN O=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)NCC(=O)c1ccccc1 ZINC000122547875 1414497114 /nfs/dbraw/zinc/49/71/14/1414497114.db2.gz VRNLGMUIHOLMDM-SFHVURJKSA-N 0 1 386.517 3.118 20 0 GGADMN CC(C)n1cnc(S(=O)(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c1 ZINC000122551478 1414498087 /nfs/dbraw/zinc/49/80/87/1414498087.db2.gz KBPPALWEYSEJGJ-UHFFFAOYSA-N 0 1 383.445 3.359 20 0 GGADMN CC(C)c1nc(S(=O)(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c[nH]1 ZINC000122563043 1414501056 /nfs/dbraw/zinc/50/10/56/1414501056.db2.gz YCRDJJUIMKZFSH-UHFFFAOYSA-N 0 1 383.445 3.428 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000122605741 1414514499 /nfs/dbraw/zinc/51/44/99/1414514499.db2.gz VHFOAVZFGKSQLB-WIYYLYMNSA-N 0 1 390.572 3.106 20 0 GGADMN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(OCCCOC)CC2)cc1 ZINC000122625013 1414521373 /nfs/dbraw/zinc/52/13/73/1414521373.db2.gz RDNVCMXWMRRFMO-QZTJIDSGSA-N 0 1 376.541 3.332 20 0 GGADMN CC(C)[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1)N1CCN(C)CC1 ZINC000122625467 1414522191 /nfs/dbraw/zinc/52/21/91/1414522191.db2.gz MBLCPEGKEKPISS-QFIPXVFZSA-N 0 1 398.551 3.263 20 0 GGADMN CCO[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000821367667 1428815264 /nfs/dbraw/zinc/81/52/64/1428815264.db2.gz LUTZWVGURNTSMD-HXUWFJFHSA-N 0 1 393.491 3.447 20 0 GGADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1c(F)cccc1F ZINC000122649508 1414528707 /nfs/dbraw/zinc/52/87/07/1414528707.db2.gz RHAKCGLXSGAWEU-XAUMDUMWSA-N 0 1 388.458 3.068 20 0 GGADMN O=C(Nc1cc(F)cc(F)c1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000122695704 1414540338 /nfs/dbraw/zinc/54/03/38/1414540338.db2.gz AQXZWMMPRSJZIU-UHFFFAOYSA-N 0 1 389.383 3.413 20 0 GGADMN Cc1cc(C)n(-c2ccccc2CN[C@H](C)CS(=O)(=O)c2ccccc2)n1 ZINC000122709932 1414544842 /nfs/dbraw/zinc/54/48/42/1414544842.db2.gz KDMWZVSVDLDTHK-QGZVFWFLSA-N 0 1 383.517 3.441 20 0 GGADMN CCC(=O)N1CCCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000122710973 1414545071 /nfs/dbraw/zinc/54/50/71/1414545071.db2.gz ZOXCEDQSKDUTCY-OAQYLSRUSA-N 0 1 382.504 3.038 20 0 GGADMN COc1cc(C)ccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000122726281 1414550282 /nfs/dbraw/zinc/55/02/82/1414550282.db2.gz LUJFQNMEAMORRR-QUCCMNQESA-N 0 1 383.492 3.008 20 0 GGADMN CCOC(=O)CC1CCN(CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 ZINC000122728291 1414550731 /nfs/dbraw/zinc/55/07/31/1414550731.db2.gz LNSWRNDTIJBDAT-MRXNPFEDSA-N 0 1 378.488 3.400 20 0 GGADMN CC1(C)C[C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)C[N@H+]1Cc1ccccc1 ZINC000824791006 1428817186 /nfs/dbraw/zinc/81/71/86/1428817186.db2.gz VHPGULARWAKDOE-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000824791006 1428817193 /nfs/dbraw/zinc/81/71/93/1428817193.db2.gz VHPGULARWAKDOE-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN CC1(C)C[C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)C[N@H+]1Cc1ccccc1 ZINC000824791006 1428817200 /nfs/dbraw/zinc/81/72/00/1428817200.db2.gz VHPGULARWAKDOE-GOSISDBHSA-N 0 1 380.471 3.149 20 0 GGADMN COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)CCN2C2CC2)c1 ZINC000826215113 1428817662 /nfs/dbraw/zinc/81/76/62/1428817662.db2.gz HKBURSZYECVZJP-MOPGFXCFSA-N 0 1 396.520 3.004 20 0 GGADMN CC(C)N1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000122749103 1414556151 /nfs/dbraw/zinc/55/61/51/1414556151.db2.gz YMBBMNVRGBDLGA-QFIPXVFZSA-N 0 1 383.561 3.248 20 0 GGADMN COCc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826164529 1428817770 /nfs/dbraw/zinc/81/77/70/1428817770.db2.gz FCQKXRWDJSHZPS-UHFFFAOYSA-N 0 1 378.480 3.090 20 0 GGADMN Cc1ccc(C[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C2CC2)o1 ZINC000826287859 1428817931 /nfs/dbraw/zinc/81/79/31/1428817931.db2.gz GUCMZONNMCIKIQ-UHFFFAOYSA-N 0 1 389.463 3.427 20 0 GGADMN Cc1ccc(C[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C2CC2)o1 ZINC000826287859 1428817938 /nfs/dbraw/zinc/81/79/38/1428817938.db2.gz GUCMZONNMCIKIQ-UHFFFAOYSA-N 0 1 389.463 3.427 20 0 GGADMN C[C@@H]1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000122777404 1414561759 /nfs/dbraw/zinc/56/17/59/1414561759.db2.gz HGKMVDPNRDRJAL-KGLIPLIRSA-N 0 1 385.430 3.080 20 0 GGADMN CCC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000122822980 1414573757 /nfs/dbraw/zinc/57/37/57/1414573757.db2.gz GMBCECRBKZMLFR-SECBINFHSA-N 0 1 385.338 3.124 20 0 GGADMN CCC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000122822980 1414573764 /nfs/dbraw/zinc/57/37/64/1414573764.db2.gz GMBCECRBKZMLFR-SECBINFHSA-N 0 1 385.338 3.124 20 0 GGADMN CCOC(=O)N[C@@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000122811433 1414570407 /nfs/dbraw/zinc/57/04/07/1414570407.db2.gz ZCLORYPJNQZSSJ-OAHLLOKOSA-N 0 1 378.860 3.143 20 0 GGADMN CC[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000122813217 1414571109 /nfs/dbraw/zinc/57/11/09/1414571109.db2.gz OOKHVSATXZTCGO-MAUKXSAKSA-N 0 1 375.490 3.361 20 0 GGADMN O=S(=O)(CCSc1nc(C2CC2)n[nH]1)c1ccc(Br)cc1 ZINC000122820563 1414573198 /nfs/dbraw/zinc/57/31/98/1414573198.db2.gz VOLJWNQCIZUDQD-UHFFFAOYSA-N 0 1 388.312 3.011 20 0 GGADMN O=S(=O)(CCSc1n[nH]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000122820563 1414573205 /nfs/dbraw/zinc/57/32/05/1414573205.db2.gz VOLJWNQCIZUDQD-UHFFFAOYSA-N 0 1 388.312 3.011 20 0 GGADMN CSCc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000122827957 1414575104 /nfs/dbraw/zinc/57/51/04/1414575104.db2.gz REPWLVIDYIXLTR-OXJNMPFZSA-N 0 1 397.544 3.267 20 0 GGADMN CCc1nc2cc(NC(=O)C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)ccc2o1 ZINC000122833621 1414576486 /nfs/dbraw/zinc/57/64/86/1414576486.db2.gz LMODPPBNATUQRX-SFHVURJKSA-N 0 1 394.475 3.056 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122834324 1414576538 /nfs/dbraw/zinc/57/65/38/1414576538.db2.gz HUVLYQCXAQPKBO-MJGOQNOKSA-N 0 1 395.503 3.192 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000122834963 1414577001 /nfs/dbraw/zinc/57/70/01/1414577001.db2.gz HUVLYQCXAQPKBO-PKOBYXMFSA-N 0 1 395.503 3.192 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Cl)CN1Cc1ccccc1 ZINC000122846541 1414579167 /nfs/dbraw/zinc/57/91/67/1414579167.db2.gz AWODPEGBDOYBRI-CJNGLKHVSA-N 0 1 389.858 3.197 20 0 GGADMN CCCOc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000122849846 1414580340 /nfs/dbraw/zinc/58/03/40/1414580340.db2.gz WLDQXOPNKNTUHA-MJGOQNOKSA-N 0 1 395.503 3.193 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000122852989 1414580814 /nfs/dbraw/zinc/58/08/14/1414580814.db2.gz UXKVEVOWLQQYMG-PXNSSMCTSA-N 0 1 395.503 3.193 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)N[C@@H]3CCCc4occc43)CC2)c1 ZINC000122854191 1414581049 /nfs/dbraw/zinc/58/10/49/1414581049.db2.gz HQZOHSKFFGGEPX-OAQYLSRUSA-N 0 1 396.535 3.477 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2F)CN1Cc1ccccc1 ZINC000122857831 1414581883 /nfs/dbraw/zinc/58/18/83/1414581883.db2.gz QBALMAFKPVBFQS-CJNGLKHVSA-N 0 1 389.858 3.197 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CN1Cc1ccccc1 ZINC000122857408 1414581979 /nfs/dbraw/zinc/58/19/79/1414581979.db2.gz AESWZBSRHNXSSC-CZUORRHYSA-N 0 1 389.858 3.197 20 0 GGADMN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000122859507 1414582444 /nfs/dbraw/zinc/58/24/44/1414582444.db2.gz SRDQXBSKUINPBQ-YJBOKZPZSA-N 0 1 385.895 3.366 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@](C)(CO)C1)N1CCCCC1 ZINC000122860063 1414582742 /nfs/dbraw/zinc/58/27/42/1414582742.db2.gz NESAXKNLRAWAMO-DENIHFKCSA-N 0 1 389.540 3.026 20 0 GGADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2F)CN1Cc1ccccc1 ZINC000122861634 1414583060 /nfs/dbraw/zinc/58/30/60/1414583060.db2.gz ZSCUXACOSDAENQ-XJKSGUPXSA-N 0 1 389.858 3.197 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2F)CN1Cc1ccccc1 ZINC000122861426 1414583331 /nfs/dbraw/zinc/58/33/31/1414583331.db2.gz ZSCUXACOSDAENQ-CZUORRHYSA-N 0 1 389.858 3.197 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2F)CN1Cc1ccccc1 ZINC000122860998 1414583438 /nfs/dbraw/zinc/58/34/38/1414583438.db2.gz ZSCUXACOSDAENQ-CJNGLKHVSA-N 0 1 389.858 3.197 20 0 GGADMN C[C@H](C[C@H](O)c1cccs1)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000122866087 1414584391 /nfs/dbraw/zinc/58/43/91/1414584391.db2.gz PGEQQNNGEKZDKY-COXVUDFISA-N 0 1 379.501 3.301 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1Cl ZINC000122866293 1414584474 /nfs/dbraw/zinc/58/44/74/1414584474.db2.gz NZLPJYRRVSMNBW-MAUKXSAKSA-N 0 1 385.895 3.366 20 0 GGADMN Cc1cc2cc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)ccc2[nH]1 ZINC000122868432 1414585216 /nfs/dbraw/zinc/58/52/16/1414585216.db2.gz VIJQQTHPCBOGCO-OXQOHEQNSA-N 0 1 390.487 3.194 20 0 GGADMN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(-c2nnc[nH]2)c1 ZINC000122871110 1414585887 /nfs/dbraw/zinc/58/58/87/1414585887.db2.gz NTBUDBKALUATST-UHFFFAOYSA-N 0 1 379.401 3.105 20 0 GGADMN Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1Cl ZINC000122900868 1414592604 /nfs/dbraw/zinc/59/26/04/1414592604.db2.gz PQCGCUOUHJRJHR-WBVHZDCISA-N 0 1 385.895 3.366 20 0 GGADMN CCc1nc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)n[nH]1 ZINC000122908622 1414594273 /nfs/dbraw/zinc/59/42/73/1414594273.db2.gz UTVIOOUDTFTWBM-UHFFFAOYSA-N 0 1 376.420 3.155 20 0 GGADMN CCc1n[nH]c(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)n1 ZINC000122908622 1414594279 /nfs/dbraw/zinc/59/42/79/1414594279.db2.gz UTVIOOUDTFTWBM-UHFFFAOYSA-N 0 1 376.420 3.155 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000122911847 1414595193 /nfs/dbraw/zinc/59/51/93/1414595193.db2.gz AVPFLNNLYYZKFW-UHFFFAOYSA-N 0 1 385.439 3.383 20 0 GGADMN CSc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000122914989 1414595844 /nfs/dbraw/zinc/59/58/44/1414595844.db2.gz QBLXXPOQLFZCNF-CRAIPNDOSA-N 0 1 383.517 3.126 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000177644997 1428821059 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CCCCO[C@@H]1C[C@H](N(C)CC(=O)Nc2cccc(NC(C)=O)c2)C1(C)C ZINC000177736421 1428845532 /nfs/dbraw/zinc/84/55/32/1428845532.db2.gz YYRRSHHEZUPLPN-RBUKOAKNSA-N 0 1 375.513 3.499 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000123995639 1414865669 /nfs/dbraw/zinc/86/56/69/1414865669.db2.gz DQCCOEOOISDZCU-NRFANRHFSA-N 0 1 395.503 3.366 20 0 GGADMN O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000123998871 1414866148 /nfs/dbraw/zinc/86/61/48/1414866148.db2.gz QPLPHUPMKSKBSQ-OAQYLSRUSA-N 0 1 377.488 3.067 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000124000894 1414866951 /nfs/dbraw/zinc/86/69/51/1414866951.db2.gz XLKVFEYTDLOFAO-OAQYLSRUSA-N 0 1 395.503 3.367 20 0 GGADMN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1O ZINC000124008774 1414867890 /nfs/dbraw/zinc/86/78/90/1414867890.db2.gz OOHQFIZPZSPWTM-CYBMUJFWSA-N 0 1 387.329 3.062 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000124017569 1414870143 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3.418 20 0 GGADMN COC1CCC(CC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CC1 ZINC000124125417 1414890125 /nfs/dbraw/zinc/89/01/25/1414890125.db2.gz SWZWCBKMCHGPJE-MUYFXNHWSA-N 0 1 391.531 3.350 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000124157393 1414897158 /nfs/dbraw/zinc/89/71/58/1414897158.db2.gz OIILRELGCOPRTC-ZDUSSCGKSA-N 0 1 389.415 3.283 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000124157156 1414897203 /nfs/dbraw/zinc/89/72/03/1414897203.db2.gz OIILRELGCOPRTC-CYBMUJFWSA-N 0 1 389.415 3.283 20 0 GGADMN CSc1ccc(NC(=O)[C@H](C)N(C)CC(C)(C)CN2CCOCC2)cc1 ZINC000124166285 1414898761 /nfs/dbraw/zinc/89/87/61/1414898761.db2.gz AAPKZLJDJZUDHL-INIZCTEOSA-N 0 1 379.570 3.026 20 0 GGADMN Cc1c(O)ccc2c(CN3CCC(CC(=O)N4CCCC4)CC3)cc(=O)oc12 ZINC000124176407 1414900516 /nfs/dbraw/zinc/90/05/16/1414900516.db2.gz MNPTXHRBCGIJJH-UHFFFAOYSA-N 0 1 384.476 3.032 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc(Cn2cccn2)cc1 ZINC000124190803 1414904512 /nfs/dbraw/zinc/90/45/12/1414904512.db2.gz ZKPZPULWBNJKAH-UHFFFAOYSA-N 0 1 375.476 3.111 20 0 GGADMN O=C(Nc1cc(F)ccc1Cl)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000124208954 1414908576 /nfs/dbraw/zinc/90/85/76/1414908576.db2.gz CCKLKINVPXZQAU-DNVCBOLYSA-N 0 1 391.874 3.484 20 0 GGADMN O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc(CN2CCSCC2)cc1 ZINC000124222889 1414912598 /nfs/dbraw/zinc/91/25/98/1414912598.db2.gz OLZJNWXKJWEOHA-UHFFFAOYSA-N 0 1 396.516 3.010 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)nc1 ZINC000177741028 1428847167 /nfs/dbraw/zinc/84/71/67/1428847167.db2.gz TTWXNHLFJOUDTQ-HNNXBMFYSA-N 0 1 393.443 3.053 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(=O)oc4cc([O-])ccc34)C2)nc1 ZINC000177741028 1428847173 /nfs/dbraw/zinc/84/71/73/1428847173.db2.gz TTWXNHLFJOUDTQ-HNNXBMFYSA-N 0 1 393.443 3.053 20 0 GGADMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc([O-])ccc34)C2)nc1 ZINC000177741028 1428847178 /nfs/dbraw/zinc/84/71/78/1428847178.db2.gz TTWXNHLFJOUDTQ-HNNXBMFYSA-N 0 1 393.443 3.053 20 0 GGADMN CCCCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)C1(C)C ZINC000177740444 1428847184 /nfs/dbraw/zinc/84/71/84/1428847184.db2.gz CDOKWJNTJMWINB-MOPGFXCFSA-N 0 1 375.513 3.499 20 0 GGADMN CCCCO[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)C1(C)C ZINC000177740444 1428847187 /nfs/dbraw/zinc/84/71/87/1428847187.db2.gz CDOKWJNTJMWINB-MOPGFXCFSA-N 0 1 375.513 3.499 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCc2c(Cl)cccc2C1 ZINC000124229742 1414914903 /nfs/dbraw/zinc/91/49/03/1414914903.db2.gz HXIGFBUOICKAGD-UHFFFAOYSA-N 0 1 399.903 3.314 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)N(C)Cc3ccccc3C)C2)nc1 ZINC000177741852 1428847708 /nfs/dbraw/zinc/84/77/08/1428847708.db2.gz HYHTZJAKDDJQPS-HXUWFJFHSA-N 0 1 394.519 3.008 20 0 GGADMN Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@H](Cc3ccccc3)C2)c(C)c1 ZINC000124255004 1414922098 /nfs/dbraw/zinc/92/20/98/1414922098.db2.gz LRVLTLSSMUXESY-OAQYLSRUSA-N 0 1 393.531 3.231 20 0 GGADMN CCOc1ccccc1C(F)(F)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000124255164 1414922218 /nfs/dbraw/zinc/92/22/18/1414922218.db2.gz WDQLRYWCUHBZSL-UHFFFAOYSA-N 0 1 389.446 3.353 20 0 GGADMN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(CN2CCSCC2)cc1 ZINC000124260934 1414923646 /nfs/dbraw/zinc/92/36/46/1414923646.db2.gz DFDZNXCNJSFULR-AZUAARDMSA-N 0 1 392.590 3.020 20 0 GGADMN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(CN2CCSCC2)cc1 ZINC000124260703 1414923668 /nfs/dbraw/zinc/92/36/68/1414923668.db2.gz DFDZNXCNJSFULR-UYAOXDASSA-N 0 1 392.590 3.020 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)N2CCN(c3cc(OC)ccn3)CC2)c1C1CC1 ZINC000124269311 1414925871 /nfs/dbraw/zinc/92/58/71/1414925871.db2.gz DXRSKNGAFWBCQF-HNNXBMFYSA-N 0 1 383.496 3.098 20 0 GGADMN C[NH2+][C@@H](C)CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000124300667 1414933786 /nfs/dbraw/zinc/93/37/86/1414933786.db2.gz XDFGFKYBAKMBNB-ZETCQYMHSA-N 0 1 390.130 3.032 20 0 GGADMN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000124304575 1414934209 /nfs/dbraw/zinc/93/42/09/1414934209.db2.gz JGKGHBXKNRYWQB-COXVUDFISA-N 0 1 379.476 3.120 20 0 GGADMN Cc1cc(C(=O)CN2CCN(C3CCOCC3)CC2)c(C)n1Cc1ccccc1 ZINC000177746492 1428849033 /nfs/dbraw/zinc/84/90/33/1428849033.db2.gz CCOBJXDDIYNSEV-UHFFFAOYSA-N 0 1 395.547 3.133 20 0 GGADMN Cc1nc(COc2cccc(C(=O)O[C@@H]3CCN(Cc4ccccc4)C3)c2)no1 ZINC000124326336 1414940144 /nfs/dbraw/zinc/94/01/44/1414940144.db2.gz WOXOGWHSMWGVMJ-HXUWFJFHSA-N 0 1 393.443 3.388 20 0 GGADMN CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC(C)(C)CN1CCOCC1 ZINC000124354416 1414947362 /nfs/dbraw/zinc/94/73/62/1414947362.db2.gz CWIXUQUJLRFBKH-IBGZPJMESA-N 0 1 395.613 3.242 20 0 GGADMN Cc1ccc(-c2ncco2)cc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000124354702 1414948188 /nfs/dbraw/zinc/94/81/88/1414948188.db2.gz RROKIZUWWRATBY-UHFFFAOYSA-N 0 1 389.415 3.285 20 0 GGADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000124359337 1414948881 /nfs/dbraw/zinc/94/88/81/1414948881.db2.gz QLRYXQTXWVQRIY-SNVBAGLBSA-N 0 1 392.337 3.172 20 0 GGADMN CCCCn1ncc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)n[nH]2)c1C ZINC000124402684 1414959640 /nfs/dbraw/zinc/95/96/40/1414959640.db2.gz CXKCKLWGDBMHAS-UHFFFAOYSA-N 0 1 384.440 3.046 20 0 GGADMN CN(CCCn1ccnc1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000124414466 1414962680 /nfs/dbraw/zinc/96/26/80/1414962680.db2.gz BBLFZGUDESJINY-QGZVFWFLSA-N 0 1 397.504 3.237 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000124444503 1414970393 /nfs/dbraw/zinc/97/03/93/1414970393.db2.gz UMTIIEXEDISJFS-UHFFFAOYSA-N 0 1 390.852 3.354 20 0 GGADMN CN(CCCn1ccnc1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000124459182 1414973325 /nfs/dbraw/zinc/97/33/25/1414973325.db2.gz DZUNPJSBOKOBPO-KRWDZBQOSA-N 0 1 397.504 3.237 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(C)(C)CN1CCOCC1 ZINC000124465740 1414975035 /nfs/dbraw/zinc/97/50/35/1414975035.db2.gz AGELFPXAYCDSSF-AWEZNQCLSA-N 0 1 385.911 3.096 20 0 GGADMN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000124474670 1414976682 /nfs/dbraw/zinc/97/66/82/1414976682.db2.gz VLQDPKPMGQHYOJ-UHFFFAOYSA-N 0 1 392.390 3.117 20 0 GGADMN c1cn(-c2ccc(CN3CCN(c4ncnc5ccsc54)CC3)cc2)cn1 ZINC000124478384 1414977087 /nfs/dbraw/zinc/97/70/87/1414977087.db2.gz WHTAGXTXFRCBOM-UHFFFAOYSA-N 0 1 376.489 3.199 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)C2)CC1 ZINC000124491406 1414980825 /nfs/dbraw/zinc/98/08/25/1414980825.db2.gz SCJLGJBTIVCDBO-SFHVURJKSA-N 0 1 398.473 3.425 20 0 GGADMN NC(=O)[C@H](c1ccccc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000124506646 1414983624 /nfs/dbraw/zinc/98/36/24/1414983624.db2.gz OYJDKMSMEYCIPZ-IBGZPJMESA-N 0 1 391.437 3.440 20 0 GGADMN Cc1cc(NCc2cccnc2N2CCC(C(N)=O)CC2)c2cc(F)ccc2n1 ZINC000124521359 1414986504 /nfs/dbraw/zinc/98/65/04/1414986504.db2.gz TZPWCCONGDXUKI-UHFFFAOYSA-N 0 1 393.466 3.391 20 0 GGADMN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000124545212 1414991291 /nfs/dbraw/zinc/99/12/91/1414991291.db2.gz RANOILRKLSGGAN-SFHVURJKSA-N 0 1 399.882 3.049 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c1 ZINC000124554690 1414993194 /nfs/dbraw/zinc/99/31/94/1414993194.db2.gz GLWPOZIZBWQQGJ-UHFFFAOYSA-N 0 1 392.864 3.411 20 0 GGADMN O=C(CN1CCC(c2ccccc2)CC1)NCc1ccccc1Cn1cccn1 ZINC000124576460 1414997763 /nfs/dbraw/zinc/99/77/63/1414997763.db2.gz VCOUCNJLTMPFJZ-UHFFFAOYSA-N 0 1 388.515 3.427 20 0 GGADMN O=C(NCCc1c(F)cccc1Cl)NNC(=O)c1ccc2ccccc2n1 ZINC000124599592 1415002814 /nfs/dbraw/zinc/00/28/14/1415002814.db2.gz VGGWFYLONPGXRY-UHFFFAOYSA-N 0 1 386.814 3.214 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000177771438 1428854759 /nfs/dbraw/zinc/85/47/59/1428854759.db2.gz MGVDMHQPJGPFLV-CQSZACIVSA-N 0 1 386.439 3.476 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)Cc3ccc([S@@](C)=O)cc3)n[nH]2)cc1 ZINC000124623563 1415007749 /nfs/dbraw/zinc/00/77/49/1415007749.db2.gz HPEMRHGBEMDVTE-MHZLTWQESA-N 0 1 383.473 3.095 20 0 GGADMN CC(C)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1nc2ccccc2[nH]1 ZINC000124623920 1415007768 /nfs/dbraw/zinc/00/77/68/1415007768.db2.gz DEIVACBHEPRCNO-MRXNPFEDSA-N 0 1 393.472 3.215 20 0 GGADMN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000124648976 1415013669 /nfs/dbraw/zinc/01/36/69/1415013669.db2.gz SOEFQVCPWWRSBG-MRXNPFEDSA-N 0 1 389.858 3.198 20 0 GGADMN CCCCN(Cc1ccccc1F)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000124655609 1415014844 /nfs/dbraw/zinc/01/48/44/1415014844.db2.gz ZIKHEIGHFRRPAI-NRFANRHFSA-N 0 1 392.563 3.409 20 0 GGADMN CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000124658664 1415015148 /nfs/dbraw/zinc/01/51/48/1415015148.db2.gz VYDLFRIKYCCMBF-FQEVSTJZSA-N 0 1 395.503 3.195 20 0 GGADMN O=C(Nc1cccc(Cl)c1F)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000124659408 1415016041 /nfs/dbraw/zinc/01/60/41/1415016041.db2.gz MYENLLIJWHBLFC-HNNXBMFYSA-N 0 1 389.858 3.198 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000124663199 1415016436 /nfs/dbraw/zinc/01/64/36/1415016436.db2.gz QRKGTLRMMKRAOH-SFHVURJKSA-N 0 1 383.517 3.128 20 0 GGADMN CSc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000124662961 1415016769 /nfs/dbraw/zinc/01/67/69/1415016769.db2.gz QRKGTLRMMKRAOH-GOSISDBHSA-N 0 1 383.517 3.128 20 0 GGADMN CN(CC1CCOCC1)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000124678609 1415019787 /nfs/dbraw/zinc/01/97/87/1415019787.db2.gz NRTCFPXQGHTOQK-QFIPXVFZSA-N 0 1 387.524 3.067 20 0 GGADMN CN(CC1CCOCC1)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000124678855 1415019871 /nfs/dbraw/zinc/01/98/71/1415019871.db2.gz NRTCFPXQGHTOQK-JOCHJYFZSA-N 0 1 387.524 3.067 20 0 GGADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCCNC3=O)c2)c1 ZINC000124681585 1415020342 /nfs/dbraw/zinc/02/03/42/1415020342.db2.gz VESGFAIQRFOXCI-UHFFFAOYSA-N 0 1 379.869 3.369 20 0 GGADMN COc1ccc(CNC2(c3ccc(F)cc3F)CCCC2)cc1OCC(N)=O ZINC000124699673 1415024168 /nfs/dbraw/zinc/02/41/68/1415024168.db2.gz FHODNZAOHPGUPM-UHFFFAOYSA-N 0 1 390.430 3.397 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177791850 1428859351 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CCCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000126200683 1415383038 /nfs/dbraw/zinc/38/30/38/1415383038.db2.gz JEPOMQWMVKKEBR-HNNXBMFYSA-N 0 1 393.484 3.034 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000126200963 1415383296 /nfs/dbraw/zinc/38/32/96/1415383296.db2.gz JEPOMQWMVKKEBR-OAHLLOKOSA-N 0 1 393.484 3.034 20 0 GGADMN O=C(CN1CCN(CC2CC2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000126203110 1415383669 /nfs/dbraw/zinc/38/36/69/1415383669.db2.gz RMAOLKTVMIPEIG-UHFFFAOYSA-N 0 1 385.508 3.084 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000126230358 1415389469 /nfs/dbraw/zinc/38/94/69/1415389469.db2.gz ZESVXIDIGBBKGX-QFIPXVFZSA-N 0 1 381.520 3.027 20 0 GGADMN C[C@H]1CNCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000126231067 1415390109 /nfs/dbraw/zinc/39/01/09/1415390109.db2.gz ZNQWRECCGRAYTN-KXBFYZLASA-N 0 1 385.895 3.022 20 0 GGADMN CC[C@H]1CCCN(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000126251069 1415394790 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GGADMN C[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CCCO1 ZINC000126507716 1415473754 /nfs/dbraw/zinc/47/37/54/1415473754.db2.gz CMZPOMIVVZWSKC-SJLPKXTDSA-N 0 1 385.430 3.148 20 0 GGADMN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000177998364 1428924838 /nfs/dbraw/zinc/92/48/38/1428924838.db2.gz OGDZIQQOOGPPNR-KRWDZBQOSA-N 0 1 381.476 3.343 20 0 GGADMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000126534400 1415480122 /nfs/dbraw/zinc/48/01/22/1415480122.db2.gz ZBNUPZOLTGHKLH-DNVCBOLYSA-N 0 1 398.482 3.114 20 0 GGADMN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000126534641 1415481460 /nfs/dbraw/zinc/48/14/60/1415481460.db2.gz ZBNUPZOLTGHKLH-BEFAXECRSA-N 0 1 398.482 3.114 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)n[nH]2)cc1 ZINC000126585555 1415500154 /nfs/dbraw/zinc/50/01/54/1415500154.db2.gz KJQHAPDVVVCWEC-UHFFFAOYSA-N 0 1 381.867 3.396 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(C)CCc2nccs2)N2CCCC2)cc1 ZINC000126608472 1415506150 /nfs/dbraw/zinc/50/61/50/1415506150.db2.gz QGIKCHCVJPVPNG-GOSISDBHSA-N 0 1 388.537 3.173 20 0 GGADMN CCOc1ccc(Oc2cc(CNCC(C)(C)S(C)(=O)=O)ccn2)cc1 ZINC000126611397 1415507228 /nfs/dbraw/zinc/50/72/28/1415507228.db2.gz PWIDTDLXHIMQHX-UHFFFAOYSA-N 0 1 378.494 3.185 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000126610606 1415507288 /nfs/dbraw/zinc/50/72/88/1415507288.db2.gz OLOPUZHHOVMDLI-QHCPKHFHSA-N 0 1 393.531 3.200 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)n[nH]1 ZINC000126622908 1415509657 /nfs/dbraw/zinc/50/96/57/1415509657.db2.gz WHKTUZWEPGSYID-UHFFFAOYSA-N 0 1 392.507 3.006 20 0 GGADMN Cc1nn(C)c(Cl)c1COC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000126629433 1415511033 /nfs/dbraw/zinc/51/10/33/1415511033.db2.gz BCNIOEFMJLBHFL-UHFFFAOYSA-N 0 1 390.915 3.028 20 0 GGADMN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(CC(C)(C)O)CC1 ZINC000126630500 1415512082 /nfs/dbraw/zinc/51/20/82/1415512082.db2.gz BBHFVBRTSJOTTI-GFCCVEGCSA-N 0 1 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1428990195 /nfs/dbraw/zinc/99/01/95/1428990195.db2.gz XHBLIGFYAOQGRT-AWEZNQCLSA-N 0 1 384.434 3.024 20 0 GGADMN COc1ccccc1-c1nn(C)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000127414381 1415770236 /nfs/dbraw/zinc/77/02/36/1415770236.db2.gz LWFUUHMASIGYIK-GOSISDBHSA-N 0 1 394.475 3.256 20 0 GGADMN COc1ccccc1-c1nn(C)cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000127414136 1415770670 /nfs/dbraw/zinc/77/06/70/1415770670.db2.gz LWFUUHMASIGYIK-SFHVURJKSA-N 0 1 394.475 3.256 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCc2ccccc2[C@H]1CO ZINC000127417672 1415771658 /nfs/dbraw/zinc/77/16/58/1415771658.db2.gz RYPCXNFPMYQWFL-VQTJNVASSA-N 0 1 383.492 3.108 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCc2ccccc2[C@@H]1CO ZINC000127418345 1415772789 /nfs/dbraw/zinc/77/27/89/1415772789.db2.gz RYPCXNFPMYQWFL-UXHICEINSA-N 0 1 383.492 3.108 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCc2ccccc2[C@H]1CO ZINC000127418113 1415772972 /nfs/dbraw/zinc/77/29/72/1415772972.db2.gz RYPCXNFPMYQWFL-WOJBJXKFSA-N 0 1 383.492 3.108 20 0 GGADMN C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824533207 1428992211 /nfs/dbraw/zinc/99/22/11/1428992211.db2.gz ZTPYRGONYHSJTF-VFNWGFHPSA-N 0 1 398.470 3.411 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H]3CCCO[C@H]3C(C)C)n2)cc1 ZINC000127434395 1415777435 /nfs/dbraw/zinc/77/74/35/1415777435.db2.gz FDYHRMFXYNDNDR-WMZOPIPTSA-N 0 1 388.537 3.440 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3CCCO[C@H]3C(C)C)n2)cc1 ZINC000127434621 1415777559 /nfs/dbraw/zinc/77/75/59/1415777559.db2.gz FDYHRMFXYNDNDR-AEFFLSMTSA-N 0 1 388.537 3.440 20 0 GGADMN CCOCCN1CCN(Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000127439005 1415778444 /nfs/dbraw/zinc/77/84/44/1415778444.db2.gz QQTMTZKSABAOLK-UHFFFAOYSA-N 0 1 375.538 3.185 20 0 GGADMN CCc1nc(-c2ccc(C(=O)NCCN(C)Cc3ccc(F)cc3)cc2)n[nH]1 ZINC000127452737 1415783816 /nfs/dbraw/zinc/78/38/16/1415783816.db2.gz FHNXLPNZCQDSCN-UHFFFAOYSA-N 0 1 381.455 3.035 20 0 GGADMN CCCN(C(=O)c1ccccc1NC(=O)CCSc1nnc(C)[nH]1)C(C)C ZINC000127451950 1415784143 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CCc1nc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)sc1C ZINC000178177969 1429008441 /nfs/dbraw/zinc/00/84/41/1429008441.db2.gz WINOSDXUSHIZFU-SJLPKXTDSA-N 0 1 388.537 3.018 20 0 GGADMN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000127825265 1415858125 /nfs/dbraw/zinc/85/81/25/1415858125.db2.gz GZNAGHTZNJGCND-BZNIZROVSA-N 0 1 392.912 3.160 20 0 GGADMN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000127825955 1415858163 /nfs/dbraw/zinc/85/81/63/1415858163.db2.gz GZNAGHTZNJGCND-MEDUHNTESA-N 0 1 392.912 3.160 20 0 GGADMN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000127851217 1415863017 /nfs/dbraw/zinc/86/30/17/1415863017.db2.gz GUAAEZDSTQVKBZ-MEDUHNTESA-N 0 1 392.912 3.160 20 0 GGADMN NC(=O)c1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cn1 ZINC000127859159 1415864615 /nfs/dbraw/zinc/86/46/15/1415864615.db2.gz SOWRETWGDNAVHZ-UHFFFAOYSA-N 0 1 389.390 3.039 20 0 GGADMN COc1cccc(NC2CCN(C(=O)c3c[n-]c4[nH+]c(C)ccc4c3=O)CC2)c1 ZINC000127879813 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397.519 3.234 20 0 GGADMN CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)C1(C)C ZINC000127950288 1415881725 /nfs/dbraw/zinc/88/17/25/1415881725.db2.gz KXZCXAAKFWRQTP-LXDRIQHSSA-N 0 1 386.536 3.163 20 0 GGADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ncc1Cl ZINC000127951822 1415881878 /nfs/dbraw/zinc/88/18/78/1415881878.db2.gz WHNBJYZLHQTPMA-UHFFFAOYSA-N 0 1 393.318 3.331 20 0 GGADMN CCc1nn(C)cc1NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000127972618 1415885805 /nfs/dbraw/zinc/88/58/05/1415885805.db2.gz CRHICWPSJNQDMT-CQSZACIVSA-N 0 1 393.373 3.031 20 0 GGADMN COc1ccc([C@H](CNC(=O)Nc2nc(C)ccc2OC)N2CCCC2)cc1 ZINC000127982054 1415888063 /nfs/dbraw/zinc/88/80/63/1415888063.db2.gz CSTANEHPHDTTCB-SFHVURJKSA-N 0 1 384.480 3.366 20 0 GGADMN CCC1(CO)CCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000127986670 1415888576 /nfs/dbraw/zinc/88/85/76/1415888576.db2.gz YHFZAHKTFMPVNH-CQSZACIVSA-N 0 1 388.430 3.247 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](NC3CC(C#N)(c4ccccc4)C3)C2=O)c1 ZINC000128000984 1415890923 /nfs/dbraw/zinc/89/09/23/1415890923.db2.gz CQMUGPCQKMXVKR-QKTWPWEVSA-N 0 1 391.471 3.023 20 0 GGADMN COc1ccnc(N2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)c1 ZINC000128008169 1415892134 /nfs/dbraw/zinc/89/21/34/1415892134.db2.gz MZJXQMBHELNKQZ-MRXNPFEDSA-N 0 1 386.418 3.043 20 0 GGADMN Cc1ccc(C)c([C@H]2CCCN2C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000128023580 1415894949 /nfs/dbraw/zinc/89/49/49/1415894949.db2.gz XCQGTEIVQLIEMX-YADHBBJMSA-N 0 1 386.584 3.422 20 0 GGADMN CCCCn1nc(C)c(CNC[C@H](O)c2cc(OC)ccc2OC)c1Cl ZINC000128036009 1415897581 /nfs/dbraw/zinc/89/75/81/1415897581.db2.gz YIEXWRCWUNJVAH-KRWDZBQOSA-N 0 1 381.904 3.485 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc(N2CCOC2=O)c1 ZINC000178200373 1429016767 /nfs/dbraw/zinc/01/67/67/1429016767.db2.gz MRCAEVAFBZQWHH-LLVKDONJSA-N 0 1 393.365 3.350 20 0 GGADMN C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cccc(OC(F)(F)F)c1 ZINC000128062665 1415904108 /nfs/dbraw/zinc/90/41/08/1415904108.db2.gz 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1416279862 /nfs/dbraw/zinc/27/98/62/1416279862.db2.gz QYLFBOQNJWEEPR-UHFFFAOYSA-N 0 1 394.947 3.372 20 0 GGADMN CC[C@H](CCO)CNC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000129888094 1416280274 /nfs/dbraw/zinc/28/02/74/1416280274.db2.gz DCZIHZGJXAQMTE-OAHLLOKOSA-N 0 1 382.936 3.012 20 0 GGADMN CC[C@@H](CCO)CNC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000129887881 1416280334 /nfs/dbraw/zinc/28/03/34/1416280334.db2.gz DCZIHZGJXAQMTE-HNNXBMFYSA-N 0 1 382.936 3.012 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000129894529 1416281423 /nfs/dbraw/zinc/28/14/23/1416281423.db2.gz YMXVSLDKCDUVQW-UHFFFAOYSA-N 0 1 392.862 3.304 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](CCO)C3CCCCC3)n2)cc1 ZINC000129957383 1416290811 /nfs/dbraw/zinc/29/08/11/1416290811.db2.gz KWDXGISENBSJMF-QGZVFWFLSA-N 0 1 388.537 3.320 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)N1CCCCC1 ZINC000178466495 1429083910 /nfs/dbraw/zinc/08/39/10/1429083910.db2.gz NHPOODZMNBBTNU-DLBZAZTESA-N 0 1 392.565 3.455 20 0 GGADMN CSCc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000130002530 1416300829 /nfs/dbraw/zinc/30/08/29/1416300829.db2.gz MFYIBKAURUYJSE-RTWAWAEBSA-N 0 1 384.545 3.162 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccc(F)cc1Cl ZINC000130020169 1416303634 /nfs/dbraw/zinc/30/36/34/1416303634.db2.gz BBMKJWMPNNXSSU-HZPDHXFCSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(F)cc1Cl ZINC000130020169 1416303640 /nfs/dbraw/zinc/30/36/40/1416303640.db2.gz BBMKJWMPNNXSSU-HZPDHXFCSA-N 0 1 377.847 3.236 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc(Cl)cc1F ZINC000130039160 1416306587 /nfs/dbraw/zinc/30/65/87/1416306587.db2.gz NGLYPZZMJKHPHO-HZPDHXFCSA-N 0 1 377.847 3.236 20 0 GGADMN COc1ccc(O)c(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000130054616 1416309206 /nfs/dbraw/zinc/30/92/06/1416309206.db2.gz ABJNYXRBIBASGA-HNNXBMFYSA-N 0 1 392.337 3.057 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CN2CCC(C3OCCO3)CC2)c1 ZINC000130058851 1416310394 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3.236 20 0 GGADMN CCN(CC)c1ccc(-c2nnc(SCCC[NH+]3CCN(C)CC3)o2)cc1 ZINC000130149703 1416327617 /nfs/dbraw/zinc/32/76/17/1416327617.db2.gz GMXWTEVRVKQEKP-UHFFFAOYSA-N 0 1 389.569 3.312 20 0 GGADMN CCN(CC)c1ccc(-c2nnc(SCCCN3CCN(C)CC3)o2)cc1 ZINC000130149703 1416327621 /nfs/dbraw/zinc/32/76/21/1416327621.db2.gz GMXWTEVRVKQEKP-UHFFFAOYSA-N 0 1 389.569 3.312 20 0 GGADMN Cc1[nH]c(SCC(=O)N(C)[C@H](C)C(=O)OC(C)C)nc1Cc1ccccc1 ZINC000130175572 1416332949 /nfs/dbraw/zinc/33/29/49/1416332949.db2.gz SZVFNHNZFTVTQV-OAHLLOKOSA-N 0 1 389.521 3.200 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cnn(-c3ccc(Cl)cc3)c1)CC2 ZINC000130222820 1416341933 /nfs/dbraw/zinc/34/19/33/1416341933.db2.gz HKROCNYXKPNMKF-RTBURBONSA-N 0 1 375.900 3.278 20 0 GGADMN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cnn(-c3ccc(Cl)cc3)c1)CC2 ZINC000130223052 1416342048 /nfs/dbraw/zinc/34/20/48/1416342048.db2.gz HKROCNYXKPNMKF-MOPGFXCFSA-N 0 1 375.900 3.278 20 0 GGADMN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000178484371 1429087916 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OVLAQOFHKCOTDW-KGLIPLIRSA-N 0 1 380.485 3.496 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NCC3(c4ccccc4Cl)CC3)cc2[nH]c1=S ZINC000130333076 1416359481 /nfs/dbraw/zinc/35/94/81/1416359481.db2.gz DVYKYGIVKBETKY-UHFFFAOYSA-N 0 1 399.903 3.337 20 0 GGADMN Cc1cccc(N2CCN(CCCNC(=O)C[C@H](C)c3ccncc3)CC2)c1 ZINC000130351805 1416363240 /nfs/dbraw/zinc/36/32/40/1416363240.db2.gz QGGHQTQEPVHFEL-FQEVSTJZSA-N 0 1 380.536 3.212 20 0 GGADMN CN(CCCn1ccnc1)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000130363429 1416365093 /nfs/dbraw/zinc/36/50/93/1416365093.db2.gz XEHSRQZKMWKQNP-UHFFFAOYSA-N 0 1 384.480 3.275 20 0 GGADMN COC[C@H](NS(=O)(=O)c1c(F)cccc1Br)c1ccc(C)o1 ZINC000130377640 1416367196 /nfs/dbraw/zinc/36/71/96/1416367196.db2.gz IGYROSXENONUDZ-LBPRGKRZSA-N 0 1 392.246 3.156 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cccc(-n2ccnn2)c1 ZINC000130379972 1416368059 /nfs/dbraw/zinc/36/80/59/1416368059.db2.gz YNNXDRGGFLADMF-GOSISDBHSA-N 0 1 380.452 3.209 20 0 GGADMN CCCN(CC)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cn1 ZINC000130387211 1416368965 /nfs/dbraw/zinc/36/89/65/1416368965.db2.gz YIBARKGHTTYDSA-UHFFFAOYSA-N 0 1 381.524 3.107 20 0 GGADMN CN(C)C(=O)CCCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000130409292 1416373131 /nfs/dbraw/zinc/37/31/31/1416373131.db2.gz HLGJBEFNVCUUIE-UHFFFAOYSA-N 0 1 377.448 3.336 20 0 GGADMN CN(C)C(=O)CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000130409292 1416373140 /nfs/dbraw/zinc/37/31/40/1416373140.db2.gz HLGJBEFNVCUUIE-UHFFFAOYSA-N 0 1 377.448 3.336 20 0 GGADMN CCOC(=O)CC1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000130410761 1416373612 /nfs/dbraw/zinc/37/36/12/1416373612.db2.gz MHKMKWDTGKJZLK-GOSISDBHSA-N 0 1 385.508 3.295 20 0 GGADMN CCOC(=O)CC1CCN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000130414750 1416373919 /nfs/dbraw/zinc/37/39/19/1416373919.db2.gz RHGGPQHIHBWXHO-CQSZACIVSA-N 0 1 398.906 3.491 20 0 GGADMN CC(C)(C)N(CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccccc1 ZINC000130431476 1416377697 /nfs/dbraw/zinc/37/76/97/1416377697.db2.gz OHTTVTCXNIEFKV-UHFFFAOYSA-N 0 1 382.443 3.041 20 0 GGADMN CCC[C@@H](NC(=O)[C@H](C)N1C[C@@H](C)N(CCOC)[C@@H](C)C1)c1ccccc1 ZINC000130433025 1416377713 /nfs/dbraw/zinc/37/77/13/1416377713.db2.gz AWNWXRUTABXNJX-YOUFYPILSA-N 0 1 375.557 3.074 20 0 GGADMN CCn1nc(C)c(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)c1C ZINC000130435069 1416378077 /nfs/dbraw/zinc/37/80/77/1416378077.db2.gz PQBKVSKFSJXDCI-UHFFFAOYSA-N 0 1 377.492 3.481 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2[nH]c1=S ZINC000130455227 1416381084 /nfs/dbraw/zinc/38/10/84/1416381084.db2.gz WZOOKWZGWKXDNL-GOSISDBHSA-N 0 1 394.500 3.375 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000130463761 1416382489 /nfs/dbraw/zinc/38/24/89/1416382489.db2.gz SFMSXXSTJBUVRL-UHFFFAOYSA-N 0 1 392.864 3.470 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCN(Cc3ccncc3)CC2)c1 ZINC000178500974 1429091717 /nfs/dbraw/zinc/09/17/17/1429091717.db2.gz IXURZRZAKMTOIW-UHFFFAOYSA-N 0 1 386.883 3.088 20 0 GGADMN COCCN1[C@H](C)CN(CC(=O)N(Cc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000130482251 1416385750 /nfs/dbraw/zinc/38/57/50/1416385750.db2.gz QZNHLGMIGJRIPY-OYRHEFFESA-N 0 1 395.547 3.261 20 0 GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(C)c(F)c(C)c2)c1 ZINC000130500600 1416389638 /nfs/dbraw/zinc/38/96/38/1416389638.db2.gz VEAVWNYWUMEYRC-INIZCTEOSA-N 0 1 394.512 3.218 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)N1CCCC1=O ZINC000130538666 1416395657 /nfs/dbraw/zinc/39/56/57/1416395657.db2.gz SKLFIICWWGRZBU-SFHVURJKSA-N 0 1 389.459 3.478 20 0 GGADMN CC[C@@H](C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)N1CCCC1=O ZINC000130538666 1416395660 /nfs/dbraw/zinc/39/56/60/1416395660.db2.gz SKLFIICWWGRZBU-SFHVURJKSA-N 0 1 389.459 3.478 20 0 GGADMN COCCN1[C@H](C)CN([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C[C@@H]1C ZINC000130556872 1416398494 /nfs/dbraw/zinc/39/84/94/1416398494.db2.gz XXZOZOMWSSGRSW-XHSDSOJGSA-N 0 1 392.931 3.416 20 0 GGADMN CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)=O)ccc2Cl)c(C)c1 ZINC000130560646 1416398894 /nfs/dbraw/zinc/39/88/94/1416398894.db2.gz GKOLUDKHRIADMQ-UHFFFAOYSA-N 0 1 394.880 3.402 20 0 GGADMN COCCN1[C@H](C)CN(CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C ZINC000130561917 1416399613 /nfs/dbraw/zinc/39/96/13/1416399613.db2.gz QBVFKSJWORBMML-KDURUIRLSA-N 0 1 381.520 3.333 20 0 GGADMN COCCN1[C@H](C)CN([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000130573365 1416401808 /nfs/dbraw/zinc/40/18/08/1416401808.db2.gz GCWJBVDTJWDYKD-IXDOHACOSA-N 0 1 381.948 3.325 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](NCc2cccnc2OCC(F)(F)F)C1 ZINC000130581717 1416403663 /nfs/dbraw/zinc/40/36/63/1416403663.db2.gz QQYDXRGLVKYNDR-ZDUSSCGKSA-N 0 1 375.391 3.122 20 0 GGADMN CCCOc1cccc(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000130581604 1416403803 /nfs/dbraw/zinc/40/38/03/1416403803.db2.gz NADBJVZEAQNJBR-PMACEKPBSA-N 0 1 383.492 3.232 20 0 GGADMN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000130591917 1416406487 /nfs/dbraw/zinc/40/64/87/1416406487.db2.gz CPFNSWSSYNVJEF-UHFFFAOYSA-N 0 1 380.452 3.336 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)c(Sc2ccccc2)n1 ZINC000130608217 1416409160 /nfs/dbraw/zinc/40/91/60/1416409160.db2.gz BIGSNUBHCKBQNW-UHFFFAOYSA-N 0 1 397.544 3.478 20 0 GGADMN C[C@@H](C(=O)N1CCCCC1)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000178510714 1429094179 /nfs/dbraw/zinc/09/41/79/1429094179.db2.gz ILCIVXQIOZAFQZ-AWEZNQCLSA-N 0 1 393.915 3.097 20 0 GGADMN O=c1cc(CN2CCN([C@H]3CCCc4ccc(F)cc43)CC2)nc2sccn21 ZINC000130624745 1416413100 /nfs/dbraw/zinc/41/31/00/1416413100.db2.gz UCZTWZREEIWAOE-IBGZPJMESA-N 0 1 398.507 3.090 20 0 GGADMN O=C1Nc2ccc(S(=O)(=O)Nc3nccc(-c4ccco4)n3)c3cccc1c23 ZINC000130633080 1416414281 /nfs/dbraw/zinc/41/42/81/1416414281.db2.gz QHGJBHPJPSWNEW-UHFFFAOYSA-N 0 1 392.396 3.256 20 0 GGADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc2ncsc2c1 ZINC000130640283 1416415249 /nfs/dbraw/zinc/41/52/49/1416415249.db2.gz HBMUCJFMQWSTHA-IAGOWNOFSA-N 0 1 382.489 3.053 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000130650568 1416417372 /nfs/dbraw/zinc/41/73/72/1416417372.db2.gz XDCRCGNVFXYIFA-UHFFFAOYSA-N 0 1 392.864 3.252 20 0 GGADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1 ZINC000130666367 1416421257 /nfs/dbraw/zinc/42/12/57/1416421257.db2.gz QRYQQRFJQNEVGI-HSZRJFAPSA-N 0 1 385.894 3.222 20 0 GGADMN COc1cccc(-c2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)n[nH]2)c1 ZINC000178517354 1429095531 /nfs/dbraw/zinc/09/55/31/1429095531.db2.gz QEKOXXNSGNZXGG-HXUWFJFHSA-N 0 1 381.407 3.438 20 0 GGADMN Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000130689311 1416425796 /nfs/dbraw/zinc/42/57/96/1416425796.db2.gz DIEGXUONCIXNSU-UHFFFAOYSA-N 0 1 386.515 3.281 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000130690591 1416425800 /nfs/dbraw/zinc/42/58/00/1416425800.db2.gz LRJRKINXNLKLQS-MOPGFXCFSA-N 0 1 383.492 3.231 20 0 GGADMN CC(C)Oc1ccccc1NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000130690591 1416425802 /nfs/dbraw/zinc/42/58/02/1416425802.db2.gz LRJRKINXNLKLQS-MOPGFXCFSA-N 0 1 383.492 3.231 20 0 GGADMN NC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)C1 ZINC000130696208 1416426997 /nfs/dbraw/zinc/42/69/97/1416426997.db2.gz HJHMVPKAEAXMLM-CYBMUJFWSA-N 0 1 381.411 3.098 20 0 GGADMN C[C@@H](O)CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1 ZINC000130698958 1416428374 /nfs/dbraw/zinc/42/83/74/1416428374.db2.gz PXAGRKSJDJWWMT-GFCCVEGCSA-N 0 1 392.381 3.408 20 0 GGADMN C[C@H](O)CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1 ZINC000130698727 1416428428 /nfs/dbraw/zinc/42/84/28/1416428428.db2.gz PXAGRKSJDJWWMT-LBPRGKRZSA-N 0 1 392.381 3.408 20 0 GGADMN O=S(=O)(c1ccc(CNCc2cc(F)cc3cccnc32)cc1)N1CCCC1 ZINC000130717800 1416433606 /nfs/dbraw/zinc/43/36/06/1416433606.db2.gz GOXPADRUZMYQSL-UHFFFAOYSA-N 0 1 399.491 3.448 20 0 GGADMN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)c(C)n1 ZINC000130721271 1416434018 /nfs/dbraw/zinc/43/40/18/1416434018.db2.gz PLSYHMXTZWHZRF-UHFFFAOYSA-N 0 1 382.445 3.147 20 0 GGADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(C2CC2)c1=S ZINC000130732313 1416437055 /nfs/dbraw/zinc/43/70/55/1416437055.db2.gz BUKUFCROFGGAKM-DOTOQJQBSA-N 0 1 379.574 3.444 20 0 GGADMN CCC[C@H](C)[C@H]1CCCN1Cn1nc(N2CCOCC2)n(C2CC2)c1=S ZINC000130732313 1416437060 /nfs/dbraw/zinc/43/70/60/1416437060.db2.gz BUKUFCROFGGAKM-DOTOQJQBSA-N 0 1 379.574 3.444 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000130736407 1416438657 /nfs/dbraw/zinc/43/86/57/1416438657.db2.gz NHPUVIMYTMNFRA-HDICACEKSA-N 0 1 381.520 3.176 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000130736407 1416438661 /nfs/dbraw/zinc/43/86/61/1416438661.db2.gz NHPUVIMYTMNFRA-HDICACEKSA-N 0 1 381.520 3.176 20 0 GGADMN Cc1cccc2c(NCc3cn(C)nc3-c3ccccc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826305274 1429096822 /nfs/dbraw/zinc/09/68/22/1429096822.db2.gz QMHPWXSAQGGPHD-UHFFFAOYSA-N 0 1 396.458 3.158 20 0 GGADMN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000130752604 1416442045 /nfs/dbraw/zinc/44/20/45/1416442045.db2.gz VSOREKZTGFMFSQ-KRWDZBQOSA-N 0 1 378.472 3.309 20 0 GGADMN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@H](CN2CCOCC2)C1 ZINC000130752399 1416442405 /nfs/dbraw/zinc/44/24/05/1416442405.db2.gz VSOREKZTGFMFSQ-QGZVFWFLSA-N 0 1 378.472 3.309 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)NCc1cccc2c1OCCCO2)c1ccco1 ZINC000130778321 1416448461 /nfs/dbraw/zinc/44/84/61/1416448461.db2.gz OCSWIZKRUGVAJO-KRWDZBQOSA-N 0 1 387.480 3.323 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCc1cccc2c1OCCCO2)c1ccco1 ZINC000130778533 1416448527 /nfs/dbraw/zinc/44/85/27/1416448527.db2.gz OCSWIZKRUGVAJO-QGZVFWFLSA-N 0 1 387.480 3.323 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCN(c2cccs2)CC1)c1ccco1 ZINC000130778875 1416448564 /nfs/dbraw/zinc/44/85/64/1416448564.db2.gz JKRRVALMTFUSET-INIZCTEOSA-N 0 1 376.526 3.256 20 0 GGADMN Cc1cccc([C@@H]2CCCN2C(=O)NC2CCN(Cc3ccncc3)CC2)n1 ZINC000178530541 1429097856 /nfs/dbraw/zinc/09/78/56/1429097856.db2.gz AGQDLESXCYKCIP-NRFANRHFSA-N 0 1 379.508 3.296 20 0 GGADMN Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cnn1-c1ccc(F)cc1 ZINC000130798298 1416453661 /nfs/dbraw/zinc/45/36/61/1416453661.db2.gz SNKXUWBXGFBKPK-FQEVSTJZSA-N 0 1 384.430 3.492 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130798870 1416453913 /nfs/dbraw/zinc/45/39/13/1416453913.db2.gz BASNVIZUEIDHRK-SFHVURJKSA-N 0 1 392.503 3.376 20 0 GGADMN Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cnn1-c1ccc(F)cc1 ZINC000130798495 1416453994 /nfs/dbraw/zinc/45/39/94/1416453994.db2.gz SNKXUWBXGFBKPK-HXUWFJFHSA-N 0 1 384.430 3.492 20 0 GGADMN CCOc1cc(C)ccc1NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000130808999 1416455953 /nfs/dbraw/zinc/45/59/53/1416455953.db2.gz NOVABEFBFGMVHL-RBUKOAKNSA-N 0 1 383.492 3.151 20 0 GGADMN CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CC1CCCCC1)N1CCN(C)CC1 ZINC000130815670 1416457421 /nfs/dbraw/zinc/45/74/21/1416457421.db2.gz HFIBHMNCRAMHCZ-LEWJYISDSA-N 0 1 378.605 3.403 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000130838927 1416464410 /nfs/dbraw/zinc/46/44/10/1416464410.db2.gz 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Cc1ccc(-c2n[nH]c(SCC(=O)N3CCOC4(CCCCC4)C3)n2)cc1 ZINC000178536526 1429100717 /nfs/dbraw/zinc/10/07/17/1429100717.db2.gz VHMHKWHBOOLHEI-UHFFFAOYSA-N 0 1 386.521 3.434 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCN1CCOC ZINC000130960131 1416487812 /nfs/dbraw/zinc/48/78/12/1416487812.db2.gz LQUMIEUOAPLMEZ-KRWDZBQOSA-N 0 1 389.540 3.244 20 0 GGADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(OCC(F)F)n1 ZINC000130964718 1416488854 /nfs/dbraw/zinc/48/88/54/1416488854.db2.gz PSKJAESEVMIQJB-CQSZACIVSA-N 0 1 381.448 3.354 20 0 GGADMN C[C@H]1CN(CCCNC(=O)NC2(c3ccc(F)cc3F)CCC2)C[C@H](C)O1 ZINC000130968015 1416489147 /nfs/dbraw/zinc/48/91/47/1416489147.db2.gz HOAKFIOWAPUFSB-GJZGRUSLSA-N 0 1 381.467 3.143 20 0 GGADMN Cc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1C ZINC000826295901 1429100967 /nfs/dbraw/zinc/10/09/67/1429100967.db2.gz CFOYPRIWEQHHHY-CQSZACIVSA-N 0 1 375.436 3.384 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3OCC(F)F)ccc21 ZINC000130991645 1416492297 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IMEBDJCAYRSMLK-UHFFFAOYSA-N 0 1 387.436 3.402 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000131196928 1416522613 /nfs/dbraw/zinc/52/26/13/1416522613.db2.gz KWSUDKPJOOYLGX-ABSDTBQOSA-N 0 1 393.553 3.161 20 0 GGADMN CC1(C)Cc2cc(C[N@@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)ccc2O1 ZINC000824812255 1429104179 /nfs/dbraw/zinc/10/41/79/1429104179.db2.gz MOIXTRBBJOFDCU-FQEVSTJZSA-N 0 1 391.475 3.154 20 0 GGADMN CC1(C)Cc2cc(C[N@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)ccc2O1 ZINC000824812255 1429104182 /nfs/dbraw/zinc/10/41/82/1429104182.db2.gz MOIXTRBBJOFDCU-FQEVSTJZSA-N 0 1 391.475 3.154 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1cccs1 ZINC000131205067 1416523427 /nfs/dbraw/zinc/52/34/27/1416523427.db2.gz RKDQILFKSTZPJN-AWEZNQCLSA-N 0 1 376.432 3.449 20 0 GGADMN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000131222233 1416525453 /nfs/dbraw/zinc/52/54/53/1416525453.db2.gz RNMSBUQPTINKLE-LJQANCHMSA-N 0 1 393.572 3.203 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCCc2cscn2)N2CCCCC2)cc1 ZINC000131226038 1416526595 /nfs/dbraw/zinc/52/65/95/1416526595.db2.gz MXMQHHUJKYXKJG-LJQANCHMSA-N 0 1 388.537 3.221 20 0 GGADMN O=C1[C@H](N(Cc2ccccc2)C[C@@H](O)c2cccs2)CCN1CC(F)(F)F ZINC000131241526 1416528899 /nfs/dbraw/zinc/52/88/99/1416528899.db2.gz UVIMSUBMQCOTGF-HZPDHXFCSA-N 0 1 398.450 3.447 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)c2C)o1 ZINC000178552586 1429104963 /nfs/dbraw/zinc/10/49/63/1429104963.db2.gz DQAQCUSQCIZQRK-OAHLLOKOSA-N 0 1 385.468 3.153 20 0 GGADMN COc1cccc(NC(=O)[C@H](N[C@@H]2CCCC[C@@H]2C(N)=O)c2ccccc2)c1 ZINC000131271600 1416533108 /nfs/dbraw/zinc/53/31/08/1416533108.db2.gz WJNSTHTTZPLRRG-XUVXKRRUSA-N 0 1 381.476 3.009 20 0 GGADMN COc1ccccc1CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000131272514 1416533490 /nfs/dbraw/zinc/53/34/90/1416533490.db2.gz JFAARNSGCZWQJS-QGZVFWFLSA-N 0 1 382.508 3.158 20 0 GGADMN Cn1ccnc1C[C@@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000131285607 1416535120 /nfs/dbraw/zinc/53/51/20/1416535120.db2.gz NHZUUMGGOMGJNZ-ZDUSSCGKSA-N 0 1 392.297 3.366 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)n[nH]2)cc1 ZINC000131289298 1416535379 /nfs/dbraw/zinc/53/53/79/1416535379.db2.gz HCHKIANPPLBKJK-IBGZPJMESA-N 0 1 399.491 3.276 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000131293230 1416535881 /nfs/dbraw/zinc/53/58/81/1416535881.db2.gz ITUGGUBLNMPDPI-LJQANCHMSA-N 0 1 389.584 3.204 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)C[N@@H+](CC(N)=O)C(C)(C)C)c2ccccc2)cc1 ZINC000131312053 1416538580 /nfs/dbraw/zinc/53/85/80/1416538580.db2.gz UPTCFHAQPIAPBO-IFMALSPDSA-N 0 1 384.520 3.048 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131312874 1416538851 /nfs/dbraw/zinc/53/88/51/1416538851.db2.gz VAZKIAJOTQVGFD-GOSISDBHSA-N 0 1 386.565 3.055 20 0 GGADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131312639 1416538874 /nfs/dbraw/zinc/53/88/74/1416538874.db2.gz VAZKIAJOTQVGFD-SFHVURJKSA-N 0 1 386.565 3.055 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCN(C(=O)NCC(C)C)C3)c2C)o1 ZINC000178556584 1429106210 /nfs/dbraw/zinc/10/62/10/1429106210.db2.gz LIJJELRZULMTMC-OAHLLOKOSA-N 0 1 387.484 3.303 20 0 GGADMN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(I)cc2)C1 ZINC000131362754 1416545511 /nfs/dbraw/zinc/54/55/11/1416545511.db2.gz VPGUDOAEECFVHZ-OAHLLOKOSA-N 0 1 395.288 3.479 20 0 GGADMN CC(C)c1ncc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)s1 ZINC000131371301 1416546691 /nfs/dbraw/zinc/54/66/91/1416546691.db2.gz DMTLUXFBQYTFLQ-UHFFFAOYSA-N 0 1 386.521 3.297 20 0 GGADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822197472 1429106445 /nfs/dbraw/zinc/10/64/45/1429106445.db2.gz BYKBWZSWWUTOEP-LJQANCHMSA-N 0 1 395.511 3.004 20 0 GGADMN CC(C)OCc1ccc(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000131377090 1416547562 /nfs/dbraw/zinc/54/75/62/1416547562.db2.gz YHYSPLGIDXKZDD-VXKWHMMOSA-N 0 1 397.519 3.369 20 0 GGADMN Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197472 1429106449 /nfs/dbraw/zinc/10/64/49/1429106449.db2.gz BYKBWZSWWUTOEP-LJQANCHMSA-N 0 1 395.511 3.004 20 0 GGADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197472 1429106454 /nfs/dbraw/zinc/10/64/54/1429106454.db2.gz BYKBWZSWWUTOEP-LJQANCHMSA-N 0 1 395.511 3.004 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1CSC)N1CCCC1 ZINC000131392485 1416550053 /nfs/dbraw/zinc/55/00/53/1416550053.db2.gz BNSTTWQQGYOGMC-WMZOPIPTSA-N 0 1 377.554 3.369 20 0 GGADMN CCN(C(C)=O)c1nc(CN[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000131401070 1416551652 /nfs/dbraw/zinc/55/16/52/1416551652.db2.gz YKJYNCYFEGBPNJ-LSDHHAIUSA-N 0 1 396.557 3.441 20 0 GGADMN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000131409376 1416553016 /nfs/dbraw/zinc/55/30/16/1416553016.db2.gz FUHDUFFUCNGMIY-WMZOPIPTSA-N 0 1 389.565 3.259 20 0 GGADMN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000131409574 1416553021 /nfs/dbraw/zinc/55/30/21/1416553021.db2.gz FUHDUFFUCNGMIY-SJLPKXTDSA-N 0 1 389.565 3.259 20 0 GGADMN O=S(=O)(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccccc1Cl ZINC000131418729 1416554832 /nfs/dbraw/zinc/55/48/32/1416554832.db2.gz OMTLIWUTGYUNCM-UHFFFAOYSA-N 0 1 393.852 3.119 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cc(F)cc(F)c3)[nH]c2c1 ZINC000131423320 1416555115 /nfs/dbraw/zinc/55/51/15/1416555115.db2.gz KEISZOONLNTOSR-KRWDZBQOSA-N 0 1 384.386 3.452 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000131421350 1416555136 /nfs/dbraw/zinc/55/51/36/1416555136.db2.gz YVQXVITZXKQQPA-XLIONFOSSA-N 0 1 391.471 3.432 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cccc(F)c3F)[nH]c2c1 ZINC000131421854 1416555254 /nfs/dbraw/zinc/55/52/54/1416555254.db2.gz BROQUKOMUKKZQW-MRXNPFEDSA-N 0 1 384.386 3.452 20 0 GGADMN COc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000131423986 1416555539 /nfs/dbraw/zinc/55/55/39/1416555539.db2.gz ZMFCAFNNLZWPHQ-KRWDZBQOSA-N 0 1 396.422 3.321 20 0 GGADMN CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000131431839 1416556929 /nfs/dbraw/zinc/55/69/29/1416556929.db2.gz KFLKOZDAGWBMOW-OAQYLSRUSA-N 0 1 395.503 3.286 20 0 GGADMN COCc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000131435499 1416557297 /nfs/dbraw/zinc/55/72/97/1416557297.db2.gz TZPBHOKLZCBRNN-OAQYLSRUSA-N 0 1 395.503 3.033 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3nc(N4CCCC4)ncc3Cl)n2)cc1 ZINC000131448937 1416559485 /nfs/dbraw/zinc/55/94/85/1416559485.db2.gz IDBHAEQZNSLJLY-UHFFFAOYSA-N 0 1 383.843 3.076 20 0 GGADMN CC(C)OCc1cccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000131462890 1416561607 /nfs/dbraw/zinc/56/16/07/1416561607.db2.gz GWKTVCARUALUBS-FGZHOGPDSA-N 0 1 397.519 3.369 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccccc3O)c(C(F)(F)F)c2)CC1 ZINC000131468109 1416562216 /nfs/dbraw/zinc/56/22/16/1416562216.db2.gz HCUNHYRWFFPLTR-UHFFFAOYSA-N 0 1 379.382 3.415 20 0 GGADMN CN1CCN(c2ccc(NC(=O)CCc3cccnc3)c(C(F)(F)F)c2)CC1 ZINC000131472067 1416562990 /nfs/dbraw/zinc/56/29/90/1416562990.db2.gz GBQGEWLAALGWMZ-UHFFFAOYSA-N 0 1 392.425 3.424 20 0 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CCC1(CNC(=O)C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000132198448 1416715861 /nfs/dbraw/zinc/71/58/61/1416715861.db2.gz LUICVVBSWQTULO-UHFFFAOYSA-N 0 1 389.459 3.384 20 0 GGADMN CSCc1cccc(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000132201321 1416716118 /nfs/dbraw/zinc/71/61/18/1416716118.db2.gz HYWHYTJTTZLVNW-PMACEKPBSA-N 0 1 385.533 3.307 20 0 GGADMN CSCc1cccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000132201894 1416716522 /nfs/dbraw/zinc/71/65/22/1416716522.db2.gz HYWHYTJTTZLVNW-WOJBJXKFSA-N 0 1 385.533 3.307 20 0 GGADMN CSCc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000132201706 1416716542 /nfs/dbraw/zinc/71/65/42/1416716542.db2.gz HYWHYTJTTZLVNW-VQTJNVASSA-N 0 1 385.533 3.307 20 0 GGADMN O=C(CN[C@]1(CO)CCc2ccccc21)Nc1ccc(N2CCCCC2)cc1 ZINC000132206784 1416716771 /nfs/dbraw/zinc/71/67/71/1416716771.db2.gz CVUBATFUQUTVSQ-QHCPKHFHSA-N 0 1 379.504 3.039 20 0 GGADMN CC1(CNC(=O)C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCC1 ZINC000132207931 1416717298 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3.305 20 0 GGADMN O=C(CN[C@@]1(CO)CCc2ccccc21)Nc1ccc(SC(F)F)cc1 ZINC000132256324 1416724906 /nfs/dbraw/zinc/72/49/06/1416724906.db2.gz VNCXBWFWZDCLKY-LJQANCHMSA-N 0 1 378.444 3.363 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000132263529 1416725787 /nfs/dbraw/zinc/72/57/87/1416725787.db2.gz UBCWEEXTRDAMRM-CYBMUJFWSA-N 0 1 393.896 3.079 20 0 GGADMN CC(C)[NH2+]CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000132263131 1416725833 /nfs/dbraw/zinc/72/58/33/1416725833.db2.gz FONZRAPBELPCMV-UHFFFAOYSA-N 0 1 395.912 3.467 20 0 GGADMN CCCNC(=O)C1(NCC(=O)N(C)c2nc3ccccc3s2)CCCCC1 ZINC000132293684 1416730954 /nfs/dbraw/zinc/73/09/54/1416730954.db2.gz ISPRYUBLFPSYBT-UHFFFAOYSA-N 0 1 388.537 3.078 20 0 GGADMN CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000132338491 1416739741 /nfs/dbraw/zinc/73/97/41/1416739741.db2.gz UJWFPBUKLAJTHW-HNNXBMFYSA-N 0 1 376.522 3.335 20 0 GGADMN CCN(Cc1cccs1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000132338491 1416739748 /nfs/dbraw/zinc/73/97/48/1416739748.db2.gz UJWFPBUKLAJTHW-HNNXBMFYSA-N 0 1 376.522 3.335 20 0 GGADMN CC(C)N(C)C(=O)C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000132353475 1416743694 /nfs/dbraw/zinc/74/36/94/1416743694.db2.gz ZAAOWPHXLOIFHO-QGZVFWFLSA-N 0 1 383.330 3.061 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2ncnc3sccc32)CC1 ZINC000132362997 1416745428 /nfs/dbraw/zinc/74/54/28/1416745428.db2.gz CZSJCIWCBRERRM-UHFFFAOYSA-N 0 1 396.501 3.105 20 0 GGADMN COc1cc(NC2CCN(CC(=O)N(C)Cc3ccccc3)CC2)cc(OC)c1 ZINC000132370274 1416747596 /nfs/dbraw/zinc/74/75/96/1416747596.db2.gz RNFGBYFLBMZKHT-UHFFFAOYSA-N 0 1 397.519 3.239 20 0 GGADMN COc1cc(NC2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)cc(OC)c1 ZINC000132373286 1416747865 /nfs/dbraw/zinc/74/78/65/1416747865.db2.gz NVYQRUXIWHRSSQ-UHFFFAOYSA-N 0 1 389.540 3.227 20 0 GGADMN COc1cc(NC2CCN(CC[S@](=O)c3ccccc3)CC2)cc(OC)c1 ZINC000132396950 1416752049 /nfs/dbraw/zinc/75/20/49/1416752049.db2.gz ZCMUHJDNPZAMLC-HHHXNRCGSA-N 0 1 388.533 3.388 20 0 GGADMN COc1cc(NC2CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC2)cc(OC)c1 ZINC000132397576 1416752150 /nfs/dbraw/zinc/75/21/50/1416752150.db2.gz AXWKWHDXGUPLOL-QGZVFWFLSA-N 0 1 391.556 3.473 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000132397941 1416752615 /nfs/dbraw/zinc/75/26/15/1416752615.db2.gz PXPOLJOVMSUDCZ-UHFFFAOYSA-N 0 1 395.429 3.201 20 0 GGADMN COc1cc(NC2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc(OC)c1 ZINC000132406981 1416753873 /nfs/dbraw/zinc/75/38/73/1416753873.db2.gz RWXKVPWBVRKGQB-CALCHBBNSA-N 0 1 389.540 3.085 20 0 GGADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@]1(CO)CCc2ccccc21 ZINC000132418274 1416756363 /nfs/dbraw/zinc/75/63/63/1416756363.db2.gz NFKKTVABRHUOAO-HJPURHCSSA-N 0 1 378.472 3.376 20 0 GGADMN CCc1nc2cc(NC(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)ccc2o1 ZINC000132423151 1416756784 /nfs/dbraw/zinc/75/67/84/1416756784.db2.gz HUKUEOQSYABVAI-MSOLQXFVSA-N 0 1 394.475 3.147 20 0 GGADMN CO[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000132423025 1416756837 /nfs/dbraw/zinc/75/68/37/1416756837.db2.gz HHHIGMLKQIXTBA-BRWVUGGUSA-N 0 1 385.430 3.146 20 0 GGADMN O=C1[C@@H](N2CCN(CCc3ccccc3)CC2)CCN1c1ccc(Cl)cc1 ZINC000132422224 1416757005 /nfs/dbraw/zinc/75/70/05/1416757005.db2.gz DWFWZRCCDQXSFS-NRFANRHFSA-N 0 1 383.923 3.306 20 0 GGADMN CCc1nc2cc(NC(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)ccc2o1 ZINC000132423341 1416757473 /nfs/dbraw/zinc/75/74/73/1416757473.db2.gz HUKUEOQSYABVAI-ZWKOTPCHSA-N 0 1 394.475 3.147 20 0 GGADMN C[C@H](CS(=O)(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccccc1 ZINC000132444649 1416761846 /nfs/dbraw/zinc/76/18/46/1416761846.db2.gz BVZPDLVDNBJXFW-QGZVFWFLSA-N 0 1 376.522 3.309 20 0 GGADMN C[C@H](NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000132465782 1416766774 /nfs/dbraw/zinc/76/67/74/1416766774.db2.gz JOEPPZCENNZOBH-HNNXBMFYSA-N 0 1 394.924 3.212 20 0 GGADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000132479498 1416769832 /nfs/dbraw/zinc/76/98/32/1416769832.db2.gz WXRGWKIPEFQHMT-UHFFFAOYSA-N 0 1 395.810 3.429 20 0 GGADMN CCOC(=O)CCCCN1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000132539035 1416781316 /nfs/dbraw/zinc/78/13/16/1416781316.db2.gz OLHTVTRTRFJXMQ-KRWDZBQOSA-N 0 1 386.496 3.149 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000132546108 1416782820 /nfs/dbraw/zinc/78/28/20/1416782820.db2.gz PGPZTHGJZXJMGO-UHFFFAOYSA-N 0 1 387.480 3.192 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC000132565316 1416786230 /nfs/dbraw/zinc/78/62/30/1416786230.db2.gz MSOCWAPZSHODCR-UHFFFAOYSA-N 0 1 388.367 3.416 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cc(-c2ccccc2)on1 ZINC000132574642 1416787104 /nfs/dbraw/zinc/78/71/04/1416787104.db2.gz HRGTYISQRHFWFQ-MOPGFXCFSA-N 0 1 392.459 3.099 20 0 GGADMN Cc1cccc(OCCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000178647759 1429128689 /nfs/dbraw/zinc/12/86/89/1429128689.db2.gz VEOVNAPHDUXVJB-GOSISDBHSA-N 0 1 382.508 3.294 20 0 GGADMN Cc1ccc(-c2n[nH]c(SC[C@@H](O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000132586675 1416788879 /nfs/dbraw/zinc/78/88/79/1416788879.db2.gz ZMFQDCFVJQHCCF-MRXNPFEDSA-N 0 1 389.502 3.009 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000132591013 1416789399 /nfs/dbraw/zinc/78/93/99/1416789399.db2.gz CVENNKMBWJOBHZ-UHFFFAOYSA-N 0 1 376.478 3.021 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(CC(C)C)[nH]c(=O)c1 ZINC000132614441 1416794462 /nfs/dbraw/zinc/79/44/62/1416794462.db2.gz NVRPMSOHJSXPCQ-UHFFFAOYSA-N 0 1 382.508 3.298 20 0 GGADMN CC[C@@H](C)N(C)CCNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000132624067 1416795322 /nfs/dbraw/zinc/79/53/22/1416795322.db2.gz KHSIYWPINQSQGM-QGZVFWFLSA-N 0 1 388.533 3.121 20 0 GGADMN CCN(CC1CCN(c2ccccn2)CC1)CN1C(=O)SC(C)(C)C1=O ZINC000132729452 1416809154 /nfs/dbraw/zinc/80/91/54/1416809154.db2.gz BDNWMIZJJVLFJO-UHFFFAOYSA-N 0 1 376.526 3.051 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000132776285 1416813765 /nfs/dbraw/zinc/81/37/65/1416813765.db2.gz DVWFXJRQKFWUBB-SFHVURJKSA-N 0 1 380.835 3.043 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3cccc(-c4ncco4)c3)c(Cl)cc2N1 ZINC000132782355 1416814272 /nfs/dbraw/zinc/81/42/72/1416814272.db2.gz KVNKZAHNJJYNMI-UHFFFAOYSA-N 0 1 389.820 3.290 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C)c1ccccc1 ZINC000132800472 1416816436 /nfs/dbraw/zinc/81/64/36/1416816436.db2.gz KCXFQCYUKKJBEC-HXUWFJFHSA-N 0 1 385.483 3.030 20 0 GGADMN CCCCNC(=O)C1(NCc2cc(=O)n3cc(Cl)ccc3n2)CCCCC1 ZINC000132799185 1416816480 /nfs/dbraw/zinc/81/64/80/1416816480.db2.gz INVXNOFQHVVHDT-UHFFFAOYSA-N 0 1 390.915 3.057 20 0 GGADMN O=C(Nc1ccccc1O)C1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000132806809 1416817239 /nfs/dbraw/zinc/81/72/39/1416817239.db2.gz LMXRDYTXLBGIDR-LJQANCHMSA-N 0 1 376.403 3.055 20 0 GGADMN O=C1OC[C@H](Cc2ccccc2)N1CNC1(c2cccc(F)c2)CCOCC1 ZINC000132832725 1416820800 /nfs/dbraw/zinc/82/08/00/1416820800.db2.gz PQWGCEZJFQXKMZ-FQEVSTJZSA-N 0 1 384.451 3.442 20 0 GGADMN CC(C)CNC(=O)C1(NCC(=O)Nc2ccccc2C(F)(F)F)CCCC1 ZINC000132871297 1416825606 /nfs/dbraw/zinc/82/56/06/1416825606.db2.gz CUGCEQBMIYJVDO-UHFFFAOYSA-N 0 1 385.430 3.319 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824618883 1429132214 /nfs/dbraw/zinc/13/22/14/1429132214.db2.gz RJZOQANSDBFZMO-HNNXBMFYSA-N 0 1 376.464 3.234 20 0 GGADMN Cc1ccc([C@@H](NC(=O)CNC2(C(=O)NCC(C)C)CCCC2)C2CC2)cc1 ZINC000132910786 1416830201 /nfs/dbraw/zinc/83/02/01/1416830201.db2.gz XDPFVUKTTDEELR-OAQYLSRUSA-N 0 1 385.552 3.237 20 0 GGADMN CC(=O)Nc1ccccc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000178665752 1429132466 /nfs/dbraw/zinc/13/24/66/1429132466.db2.gz JZBLKINBVHPQMJ-IAGOWNOFSA-N 0 1 395.503 3.184 20 0 GGADMN Cc1ccc(-c2nc(SCC(=O)NCc3nc4ccc(C)cc4[nH]3)n[nH]2)cc1 ZINC000178664463 1429132524 /nfs/dbraw/zinc/13/25/24/1429132524.db2.gz HPZBZZVATKKFKQ-UHFFFAOYSA-N 0 1 392.488 3.373 20 0 GGADMN CC(=O)Nc1ccccc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178665732 1429132603 /nfs/dbraw/zinc/13/26/03/1429132603.db2.gz JZBLKINBVHPQMJ-CALCHBBNSA-N 0 1 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Cc1nn(C)c2sc(C(=O)Nc3ccccc3CN3CCC(O)CC3)cc12 ZINC000135617516 1417247706 /nfs/dbraw/zinc/24/77/06/1417247706.db2.gz PGRFKLAGSAYQET-UHFFFAOYSA-N 0 1 384.505 3.152 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000135620126 1417247971 /nfs/dbraw/zinc/24/79/71/1417247971.db2.gz FXBHGIDTXHHJPN-UHFFFAOYSA-N 0 1 394.450 3.425 20 0 GGADMN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC000135619907 1417248280 /nfs/dbraw/zinc/24/82/80/1417248280.db2.gz RSJGYXFCSRJUJK-LEWJYISDSA-N 0 1 380.488 3.394 20 0 GGADMN O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1CN1CCC(O)CC1 ZINC000135621073 1417248871 /nfs/dbraw/zinc/24/88/71/1417248871.db2.gz KGZCBNNGAONKEG-UHFFFAOYSA-N 0 1 380.488 3.150 20 0 GGADMN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccccc1CN1CCC(O)CC1)C2 ZINC000135621867 1417249066 /nfs/dbraw/zinc/24/90/66/1417249066.db2.gz HKGZZKZORMTLCH-JOCHJYFZSA-N 0 1 380.488 3.202 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000135623744 1417249073 /nfs/dbraw/zinc/24/90/73/1417249073.db2.gz MYMKMNBNOJRSJY-UHFFFAOYSA-N 0 1 394.450 3.220 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cnc(-c2ccccc2)nc1 ZINC000135625435 1417249565 /nfs/dbraw/zinc/24/95/65/1417249565.db2.gz ASKIJYQLUUIDOA-UHFFFAOYSA-N 0 1 388.471 3.353 20 0 GGADMN C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000135627943 1417249622 /nfs/dbraw/zinc/24/96/22/1417249622.db2.gz YZXGDXVTCIEGNB-AWEZNQCLSA-N 0 1 390.430 3.328 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cnn(Cc2ccccc2)c1 ZINC000135630665 1417250812 /nfs/dbraw/zinc/25/08/12/1417250812.db2.gz CZMYYXGEKWPIAJ-UHFFFAOYSA-N 0 1 390.487 3.140 20 0 GGADMN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000135630447 1417250941 /nfs/dbraw/zinc/25/09/41/1417250941.db2.gz AKPDMFUBQVPSOW-SYJIQKIWSA-N 0 1 384.911 3.075 20 0 GGADMN O=C(Cc1ccc(OC(F)F)cc1)Nc1ccccc1CN1CCC(O)CC1 ZINC000135633659 1417251712 /nfs/dbraw/zinc/25/17/12/1417251712.db2.gz LTEVVEXSNRWISV-UHFFFAOYSA-N 0 1 390.430 3.426 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554980 1429170137 /nfs/dbraw/zinc/17/01/37/1429170137.db2.gz UEAFUEYZQSCDPH-WCQYABFASA-N 0 1 388.397 3.214 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCn2cccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135663968 1417255112 /nfs/dbraw/zinc/25/51/12/1417255112.db2.gz FZNYIAQPZFKLAX-YJBOKZPZSA-N 0 1 378.879 3.273 20 0 GGADMN CCC(=O)c1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000135680933 1417257218 /nfs/dbraw/zinc/25/72/18/1417257218.db2.gz BACPFXGTHLKIMC-HXUWFJFHSA-N 0 1 393.487 3.171 20 0 GGADMN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cccc2c1OCCO2 ZINC000135706333 1417259665 /nfs/dbraw/zinc/25/96/65/1417259665.db2.gz ILVJAMQAQZCLJK-UHFFFAOYSA-N 0 1 382.441 3.244 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1cc(C2CCCC2)[nH]n1 ZINC000135711608 1417260484 /nfs/dbraw/zinc/26/04/84/1417260484.db2.gz PNQJGVBLIGVRKM-UHFFFAOYSA-N 0 1 383.477 3.469 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3cc(-c4ccccc4)no3)CC2)n1 ZINC000135782321 1417267962 /nfs/dbraw/zinc/26/79/62/1417267962.db2.gz OEEMFKONMCENKE-UHFFFAOYSA-N 0 1 379.464 3.243 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3cc(F)cc4cccnc43)CC2)n1 ZINC000135799426 1417269515 /nfs/dbraw/zinc/26/95/15/1417269515.db2.gz CWTFCDCDKWBWQO-UHFFFAOYSA-N 0 1 381.455 3.275 20 0 GGADMN CCC(=O)c1cccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000135824391 1417271420 /nfs/dbraw/zinc/27/14/20/1417271420.db2.gz GOWUJWJJRQWVSX-FQEVSTJZSA-N 0 1 393.487 3.171 20 0 GGADMN C[C@@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000135901688 1417276882 /nfs/dbraw/zinc/27/68/82/1417276882.db2.gz OAOZGNJXHVHLJH-OAHLLOKOSA-N 0 1 396.470 3.028 20 0 GGADMN C[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(OCc2cccnc2)cc1 ZINC000135905887 1417277034 /nfs/dbraw/zinc/27/70/34/1417277034.db2.gz QEEKWXKFLHXNEM-QFBILLFUSA-N 0 1 385.533 3.275 20 0 GGADMN CCC(CC)CN(CC)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000135947554 1417281187 /nfs/dbraw/zinc/28/11/87/1417281187.db2.gz XIEGXBDTNZMAOJ-UHFFFAOYSA-N 0 1 382.526 3.075 20 0 GGADMN O=C(CNCc1cnc(C2CCCC2)s1)N1CCN(c2ccccc2)CC1 ZINC000135975713 1417282936 /nfs/dbraw/zinc/28/29/36/1417282936.db2.gz JPBOWJRKDWJEJM-UHFFFAOYSA-N 0 1 384.549 3.239 20 0 GGADMN COC(=O)CC(C)(C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000136160955 1417296820 /nfs/dbraw/zinc/29/68/20/1417296820.db2.gz HOWRSVMCPFJBOR-UHFFFAOYSA-N 0 1 380.916 3.400 20 0 GGADMN COc1cc(OC)cc([C@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000136170212 1417297895 /nfs/dbraw/zinc/29/78/95/1417297895.db2.gz XELCEMONHIXPJU-QGZVFWFLSA-N 0 1 384.245 3.429 20 0 GGADMN COc1cc(OC)cc([C@@H](O)CNCc2ccc(F)cc2Br)c1 ZINC000136170250 1417298015 /nfs/dbraw/zinc/29/80/15/1417298015.db2.gz XELCEMONHIXPJU-KRWDZBQOSA-N 0 1 384.245 3.429 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N(C)CCOc2ccc(F)cc2)cc1F ZINC000136196614 1417300113 /nfs/dbraw/zinc/30/01/13/1417300113.db2.gz LSIFVLPQIDMNQK-UHFFFAOYSA-N 0 1 377.435 3.247 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F ZINC000136193381 1417300196 /nfs/dbraw/zinc/30/01/96/1417300196.db2.gz HWXHOASJYZBNNN-UHFFFAOYSA-N 0 1 378.398 3.251 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1F ZINC000136205307 1417301070 /nfs/dbraw/zinc/30/10/70/1417301070.db2.gz YWJJNKVFGVCZDX-FQEVSTJZSA-N 0 1 389.446 3.310 20 0 GGADMN Cc1ccc([C@H]2COCCN2C(=O)NCc2ccc(CN(C)C)c(F)c2)o1 ZINC000136232325 1417303351 /nfs/dbraw/zinc/30/33/51/1417303351.db2.gz PNOWJJOEXSNBQT-GOSISDBHSA-N 0 1 375.444 3.072 20 0 GGADMN CC[C@H](C(=O)N1CCC(NC(=O)CN2CCC(C)CC2)CC1)c1ccccc1 ZINC000136239075 1417304077 /nfs/dbraw/zinc/30/40/77/1417304077.db2.gz QLZHFLNMWJXGJL-NRFANRHFSA-N 0 1 385.552 3.019 20 0 GGADMN COc1ccc(OCCN(C)C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1 ZINC000136242334 1417304529 /nfs/dbraw/zinc/30/45/29/1417304529.db2.gz QRFYEOMSVWRFJJ-UHFFFAOYSA-N 0 1 389.471 3.116 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)N2CCCN(c3ccccc3)CC2)cc1F ZINC000136252277 1417305306 /nfs/dbraw/zinc/30/53/06/1417305306.db2.gz AHDYDYVYPQLQDQ-UHFFFAOYSA-N 0 1 384.499 3.309 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@H]3C(C)(C)O)n2)ccc1OC(F)F ZINC000136252785 1417305385 /nfs/dbraw/zinc/30/53/85/1417305385.db2.gz OJUJLHOSLXKRAY-AWEZNQCLSA-N 0 1 383.395 3.082 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000136249398 1417305403 /nfs/dbraw/zinc/30/54/03/1417305403.db2.gz WURNAOOAJAMTKQ-LBPRGKRZSA-N 0 1 377.464 3.128 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(OC3CCC3)cc2Cl)CCN1C[C@@H](C)O ZINC000136260756 1417305834 /nfs/dbraw/zinc/30/58/34/1417305834.db2.gz VUTJOJOWYLBUBM-HUUCEWRRSA-N 0 1 380.916 3.189 20 0 GGADMN Cc1cc(CN2CCN(CCCC(=O)Nc3c(C)cc(C)cc3C)CC2)on1 ZINC000136325197 1417309386 /nfs/dbraw/zinc/30/93/86/1417309386.db2.gz DIIRDSUDFBHNEJ-UHFFFAOYSA-N 0 1 384.524 3.445 20 0 GGADMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000136368788 1417311870 /nfs/dbraw/zinc/31/18/70/1417311870.db2.gz QGOSXCHIMXRAPI-UAOJZALGSA-N 0 1 391.462 3.379 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCc3c(F)cc(F)cc3C2)N(C)C)c1 ZINC000136370187 1417312010 /nfs/dbraw/zinc/31/20/10/1417312010.db2.gz YAKAUPDYIOGXBM-FQEVSTJZSA-N 0 1 389.446 3.344 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCOC3(CCCC3)C2)N2CCCC2)c1 ZINC000136393251 1417313339 /nfs/dbraw/zinc/31/33/39/1417313339.db2.gz XTNVBXTYBHLHAI-HXUWFJFHSA-N 0 1 387.524 3.187 20 0 GGADMN CN(CCn1cccn1)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000136473543 1417320278 /nfs/dbraw/zinc/32/02/78/1417320278.db2.gz KMAOBNQHWASJKA-YJBOKZPZSA-N 0 1 393.894 3.010 20 0 GGADMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000136509182 1417322430 /nfs/dbraw/zinc/32/24/30/1417322430.db2.gz FLWRIBGIMFWCAU-GOSISDBHSA-N 0 1 390.528 3.044 20 0 GGADMN COc1ccc([C@H](CNC(=O)[C@@H]2OCCc3ccccc32)N2CCCC2)cc1 ZINC000136607644 1417331685 /nfs/dbraw/zinc/33/16/85/1417331685.db2.gz WAWGOOPTBSOLIO-FCHUYYIVSA-N 0 1 380.488 3.262 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)c3cccnc3C(F)(F)F)c2)CC1 ZINC000136640766 1417334373 /nfs/dbraw/zinc/33/43/73/1417334373.db2.gz PZCOEPSRTXBOBY-UHFFFAOYSA-N 0 1 378.398 3.100 20 0 GGADMN CCC1CCC(N(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C2CC2)CC1 ZINC000136651447 1417335331 /nfs/dbraw/zinc/33/53/31/1417335331.db2.gz CUGAYCINYBPCMM-UHFFFAOYSA-N 0 1 399.583 3.476 20 0 GGADMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136674161 1417337392 /nfs/dbraw/zinc/33/73/92/1417337392.db2.gz BLMFYRPTDBUQRU-XNJGSVPQSA-N 0 1 395.429 3.292 20 0 GGADMN CC[C@H]1CCCCN1C(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136676201 1417337751 /nfs/dbraw/zinc/33/77/51/1417337751.db2.gz QVGIZKAFORAALT-RDJZCZTQSA-N 0 1 395.429 3.294 20 0 GGADMN CN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000136684411 1417338408 /nfs/dbraw/zinc/33/84/08/1417338408.db2.gz YZGJFXNVVOSJDQ-FQEVSTJZSA-N 0 1 385.895 3.344 20 0 GGADMN CC(C)Cc1noc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136688020 1417338529 /nfs/dbraw/zinc/33/85/29/1417338529.db2.gz ATPFBHFHVPFTBR-HNNXBMFYSA-N 0 1 380.374 3.284 20 0 GGADMN O=C(CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000136690838 1417339008 /nfs/dbraw/zinc/33/90/08/1417339008.db2.gz QHEWBXAMOLVGQZ-INIZCTEOSA-N 0 1 375.354 3.141 20 0 GGADMN C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000136692739 1417339138 /nfs/dbraw/zinc/33/91/38/1417339138.db2.gz CFGYZXHKPMMNID-XNJGSVPQSA-N 0 1 395.429 3.007 20 0 GGADMN CCC1CCC(N(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C2CC2)CC1 ZINC000136694371 1417339445 /nfs/dbraw/zinc/33/94/45/1417339445.db2.gz VUVMKNAONYFEIN-GZNCHQMQSA-N 0 1 378.605 3.401 20 0 GGADMN C[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCCC1 ZINC000136705287 1417340230 /nfs/dbraw/zinc/34/02/30/1417340230.db2.gz RPUIZFHNRPFTNR-CJNGLKHVSA-N 0 1 395.429 3.294 20 0 GGADMN CCO[C@@H](C)c1noc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136701523 1417340245 /nfs/dbraw/zinc/34/02/45/1417340245.db2.gz OQCSIZAZCMYFIO-HZMBPMFUSA-N 0 1 396.373 3.183 20 0 GGADMN CCO[C@H](C)c1noc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000136701565 1417340287 /nfs/dbraw/zinc/34/02/87/1417340287.db2.gz OQCSIZAZCMYFIO-YGRLFVJLSA-N 0 1 396.373 3.183 20 0 GGADMN FC(F)(F)c1cccc([C@@H](NCc2nc(-c3ccoc3)no2)c2nnc[nH]2)c1 ZINC000136701473 1417340497 /nfs/dbraw/zinc/34/04/97/1417340497.db2.gz NYDHEDUGYSJFGK-CQSZACIVSA-N 0 1 390.325 3.346 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)CCO2)n[nH]1 ZINC000136722378 1417341577 /nfs/dbraw/zinc/34/15/77/1417341577.db2.gz MIXMHQASWCXDFL-RISCZKNCSA-N 0 1 397.401 3.230 20 0 GGADMN CCOc1ccc(NC(=O)CCN2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000136737592 1417342493 /nfs/dbraw/zinc/34/24/93/1417342493.db2.gz UWRQLQMAWNEPDS-UHFFFAOYSA-N 0 1 388.899 3.285 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1cccs1 ZINC000136741839 1417342784 /nfs/dbraw/zinc/34/27/84/1417342784.db2.gz AGLGAGRIJVCWHP-MRXNPFEDSA-N 0 1 383.473 3.371 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2OC(C)C)CCN1C[C@@H](C)O ZINC000136828444 1417348614 /nfs/dbraw/zinc/34/86/14/1417348614.db2.gz NKLJVGRJOHPNBR-HUUCEWRRSA-N 0 1 383.920 3.436 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1 ZINC000136853877 1417350697 /nfs/dbraw/zinc/35/06/97/1417350697.db2.gz POPIEJVPANAZOF-RXVVDRJESA-N 0 1 389.471 3.153 20 0 GGADMN Cc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)c(OC[C@H]2CCCO2)c1 ZINC000136916575 1417354630 /nfs/dbraw/zinc/35/46/30/1417354630.db2.gz XILWVELWXMFBMQ-MRXNPFEDSA-N 0 1 383.423 3.498 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CCO1 ZINC000136947829 1417356535 /nfs/dbraw/zinc/35/65/35/1417356535.db2.gz HIHXBYTULQCMBV-PMACEKPBSA-N 0 1 375.513 3.043 20 0 GGADMN CCC[C@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CCO1 ZINC000136947870 1417357128 /nfs/dbraw/zinc/35/71/28/1417357128.db2.gz HIHXBYTULQCMBV-VQTJNVASSA-N 0 1 375.513 3.043 20 0 GGADMN Cc1nc(COc2cccc(C(=O)N3CCN(C)CC34CCCCC4)c2)no1 ZINC000136980035 1417359638 /nfs/dbraw/zinc/35/96/38/1417359638.db2.gz FPANLPZMKFMEMD-UHFFFAOYSA-N 0 1 384.480 3.048 20 0 GGADMN COCc1ccc([C@H]2CCCN2Cc2c(C)nn(CCC(=O)OC)c2C)o1 ZINC000137066302 1417365864 /nfs/dbraw/zinc/36/58/64/1417365864.db2.gz YHOZXVZZQUDSTJ-GOSISDBHSA-N 0 1 375.469 3.140 20 0 GGADMN O=C(N[C@@H](CCO)C1CCCCC1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000137124608 1417369991 /nfs/dbraw/zinc/36/99/91/1417369991.db2.gz YDMUGMUKOFFSCN-NRFANRHFSA-N 0 1 391.531 3.421 20 0 GGADMN O=c1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12 ZINC000137222776 1417376349 /nfs/dbraw/zinc/37/63/49/1417376349.db2.gz NVIWAOCSOFFPKT-QGZVFWFLSA-N 0 1 397.862 3.456 20 0 GGADMN O=c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12 ZINC000137222776 1417376355 /nfs/dbraw/zinc/37/63/55/1417376355.db2.gz NVIWAOCSOFFPKT-QGZVFWFLSA-N 0 1 397.862 3.456 20 0 GGADMN CCN(CCCC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)CS(=O)(=O)CC ZINC000137409710 1417383557 /nfs/dbraw/zinc/38/35/57/1417383557.db2.gz KZPGKQYVCZWCEH-SFHVURJKSA-N 0 1 382.570 3.476 20 0 GGADMN C[NH+]1CCC(N(Cc2ccc(F)cc2)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139096421 1429180044 /nfs/dbraw/zinc/18/00/44/1429180044.db2.gz JMFHAGKELRMQMY-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178825126 1429183857 /nfs/dbraw/zinc/18/38/57/1429183857.db2.gz CJWPTXQHLZSSTA-KNQAVFIVSA-N 0 1 379.504 3.021 20 0 GGADMN CCC1CCC(N(C(=O)NCc2cccnc2N2CCN(C)CC2)C2CC2)CC1 ZINC000137625519 1417391805 /nfs/dbraw/zinc/39/18/05/1417391805.db2.gz TZBKXBOXQFMFHC-UHFFFAOYSA-N 0 1 399.583 3.476 20 0 GGADMN CC(C)c1nnc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000137622631 1417391921 /nfs/dbraw/zinc/39/19/21/1417391921.db2.gz CZVXYPQPNVITKE-INIZCTEOSA-N 0 1 387.553 3.196 20 0 GGADMN C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1noc(-c2ccccc2)n1 ZINC000137775780 1417395032 /nfs/dbraw/zinc/39/50/32/1417395032.db2.gz FWLDMKILPZMNHA-HNNXBMFYSA-N 0 1 397.454 3.368 20 0 GGADMN COc1ccc(N(C)C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1Cl ZINC000137793671 1417396046 /nfs/dbraw/zinc/39/60/46/1417396046.db2.gz DMZYGEAALIQMOQ-NSHDSACASA-N 0 1 386.839 3.006 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1ccco1 ZINC000137858066 1417397267 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ZINC000139204838 1417452122 /nfs/dbraw/zinc/45/21/22/1417452122.db2.gz ZWKVCMBWYRPVKF-UHFFFAOYSA-N 0 1 377.448 3.086 20 0 GGADMN COc1cccc(CN2CCN(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)CC2)c1 ZINC000139245996 1417453664 /nfs/dbraw/zinc/45/36/64/1417453664.db2.gz QMPZXGSDVOQPBZ-UHFFFAOYSA-N 0 1 390.487 3.352 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000139319774 1417456153 /nfs/dbraw/zinc/45/61/53/1417456153.db2.gz DLYOERIACWORAP-KRWDZBQOSA-N 0 1 393.894 3.091 20 0 GGADMN CN(Cc1cscn1)Cc1cccc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000139323586 1417456539 /nfs/dbraw/zinc/45/65/39/1417456539.db2.gz XOGAUCFRGLQARD-UHFFFAOYSA-N 0 1 384.509 3.245 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC000139404110 1417458244 /nfs/dbraw/zinc/45/82/44/1417458244.db2.gz VNUMJUCOYFJDEC-LJQANCHMSA-N 0 1 391.466 3.091 20 0 GGADMN COCCn1cc(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)ccc1=O ZINC000139520279 1417462294 /nfs/dbraw/zinc/46/22/94/1417462294.db2.gz JLGWCXKVQLXJCB-GOSISDBHSA-N 0 1 395.463 3.048 20 0 GGADMN COCCn1cc(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)ccc1=O ZINC000139520146 1417462481 /nfs/dbraw/zinc/46/24/81/1417462481.db2.gz JLGWCXKVQLXJCB-SFHVURJKSA-N 0 1 395.463 3.048 20 0 GGADMN O=S(=O)(Cc1ccccc1)NCCNCc1ccc(-c2ccccc2F)o1 ZINC000139528498 1417463072 /nfs/dbraw/zinc/46/30/72/1417463072.db2.gz VCLYCTPLAAMYIH-UHFFFAOYSA-N 0 1 388.464 3.295 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cccc(-n3ccc(C)n3)c2)N(C)C)c1 ZINC000139560878 1417464174 /nfs/dbraw/zinc/46/41/74/1417464174.db2.gz OJAJFHPTABQRFT-OAQYLSRUSA-N 0 1 378.476 3.222 20 0 GGADMN Cc1ccccc1CCNC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000139575776 1417464497 /nfs/dbraw/zinc/46/44/97/1417464497.db2.gz MHENZPINOVKFDO-FQEVSTJZSA-N 0 1 379.504 3.004 20 0 GGADMN Cc1ccccc1CCNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000139575904 1417464596 /nfs/dbraw/zinc/46/45/96/1417464596.db2.gz MHENZPINOVKFDO-HXUWFJFHSA-N 0 1 379.504 3.004 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@@H]2CCCCO2)N2CCCCC2)cc1 ZINC000139642577 1417467096 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C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C[C@H](c2ccccc2)O1 ZINC000139794200 1417473717 /nfs/dbraw/zinc/47/37/17/1417473717.db2.gz HERZQEPXQDZQEO-SCLBCKFNSA-N 0 1 395.484 3.198 20 0 GGADMN O=C(CNCc1c[nH]nc1-c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 ZINC000139828765 1417476252 /nfs/dbraw/zinc/47/62/52/1417476252.db2.gz RJSIXIRNQXPWRV-UHFFFAOYSA-N 0 1 384.823 3.187 20 0 GGADMN CC(C)(C)Oc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000139878972 1417478515 /nfs/dbraw/zinc/47/85/15/1417478515.db2.gz WKJCEMYQMHWWIP-UHFFFAOYSA-N 0 1 389.540 3.118 20 0 GGADMN Cc1noc([C@H]2CCCN(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)C2)n1 ZINC000140014437 1417484916 /nfs/dbraw/zinc/48/49/16/1417484916.db2.gz OTFXCIPYRXKCPW-IRXDYDNUSA-N 0 1 387.484 3.087 20 0 GGADMN Cc1noc([C@H]2CCCN(C(=O)NC[C@H](c3ccco3)N3CCCCC3)C2)n1 ZINC000140014720 1417485037 /nfs/dbraw/zinc/48/50/37/1417485037.db2.gz OTFXCIPYRXKCPW-DLBZAZTESA-N 0 1 387.484 3.087 20 0 GGADMN O=C(COC(=O)Cc1[nH]nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000140184796 1417490580 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392.503 3.308 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000140737729 1417514524 /nfs/dbraw/zinc/51/45/24/1417514524.db2.gz KOWWZJUGKDQWRI-APWZRJJASA-N 0 1 387.524 3.243 20 0 GGADMN CCOC(=O)C1=C(CN[C@@H](c2ccc(Cl)cc2)C(C)C)NC(=O)N[C@H]1C ZINC000140730554 1417514669 /nfs/dbraw/zinc/51/46/69/1417514669.db2.gz UOOXUKIPCPTTFP-YVEFUNNKSA-N 0 1 379.888 3.145 20 0 GGADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000140819919 1417518173 /nfs/dbraw/zinc/51/81/73/1417518173.db2.gz VCJKITLBAJWTGC-KURKYZTESA-N 0 1 381.561 3.260 20 0 GGADMN C[C@@H](C1CC1)N(C(=O)CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000140822411 1417518259 /nfs/dbraw/zinc/51/82/59/1417518259.db2.gz WBIMIFCLKPUUMI-JKSUJKDBSA-N 0 1 379.545 3.013 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825918276 1429189884 /nfs/dbraw/zinc/18/98/84/1429189884.db2.gz DBHKGHWHDHGHJH-UHFFFAOYSA-N 0 1 399.449 3.283 20 0 GGADMN C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(CCc2cccs2)CC1 ZINC000141414247 1417537039 /nfs/dbraw/zinc/53/70/39/1417537039.db2.gz QCZPVIUXBPHZGG-GOSISDBHSA-N 0 1 383.561 3.276 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)N1CCN(CCc2cccs2)CC1 ZINC000141391100 1417537380 /nfs/dbraw/zinc/53/73/80/1417537380.db2.gz OOHJYQNSGFSFBF-QGZVFWFLSA-N 0 1 394.544 3.484 20 0 GGADMN Cc1ccc([C@H](C)NC(=O)CN2CCN(CCc3cccs3)CC2)cc1C ZINC000141461193 1417538209 /nfs/dbraw/zinc/53/82/09/1417538209.db2.gz NFLTZUOBXZBOHU-IBGZPJMESA-N 0 1 385.577 3.402 20 0 GGADMN CNC(=O)C1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000141462383 1417539828 /nfs/dbraw/zinc/53/98/28/1417539828.db2.gz OSQBCVDBCMZAKY-JTTJXQCZSA-N 0 1 383.496 3.023 20 0 GGADMN C[C@@H](NC(=O)[C@@H](C)N1CCN(CCc2cccs2)CC1)c1ccc(F)cc1 ZINC000141471044 1417540232 /nfs/dbraw/zinc/54/02/32/1417540232.db2.gz LVKXAAGBIGGLCG-IAGOWNOFSA-N 0 1 389.540 3.313 20 0 GGADMN CC(C)S(=O)(=O)CC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000141860328 1417560847 /nfs/dbraw/zinc/56/08/47/1417560847.db2.gz JVFPQLMNCFRTKQ-UHFFFAOYSA-N 0 1 389.452 3.055 20 0 GGADMN C[C@@H]1CCCC[C@H]1OCCN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000142200034 1417576046 /nfs/dbraw/zinc/57/60/46/1417576046.db2.gz WQJUBOFPGVXXFX-YLJYHZDGSA-N 0 1 383.554 3.386 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)Sc3nnnn3C3CC3)[nH]c2c1 ZINC000142269231 1417578407 /nfs/dbraw/zinc/57/84/07/1417578407.db2.gz JGKQLGSHSSFOMU-LRDDRELGSA-N 0 1 397.508 3.037 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CNC(=O)Cc3cccc(F)c3)[nH]c2c1 ZINC000142277748 1417580169 /nfs/dbraw/zinc/58/01/69/1417580169.db2.gz PPUFDFLYMMHWQA-LJQANCHMSA-N 0 1 394.450 3.033 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(N4CCOCC4)nc3)[nH]c2c1 ZINC000142299317 1417581418 /nfs/dbraw/zinc/58/14/18/1417581418.db2.gz FETPTTGICCDJDF-LJQANCHMSA-N 0 1 391.475 3.080 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C[C@H](NC(N)=O)c3cccs3)[nH]c2c1 ZINC000142301233 1417581520 /nfs/dbraw/zinc/58/15/20/1417581520.db2.gz YPCCQODRXCVTER-HOTGVXAUSA-N 0 1 397.504 3.396 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)c3cccs3)[nH]c2c1 ZINC000142301860 1417581783 /nfs/dbraw/zinc/58/17/83/1417581783.db2.gz JUOSNUIGJMBURM-CJNGLKHVSA-N 0 1 382.489 3.415 20 0 GGADMN Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)s1 ZINC000142325644 1417582617 /nfs/dbraw/zinc/58/26/17/1417582617.db2.gz PGBGLNIKYBAUJP-INIZCTEOSA-N 0 1 382.489 3.335 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(NS(C)(=O)=O)c3)[nH]c2c1 ZINC000142322339 1417583056 /nfs/dbraw/zinc/58/30/56/1417583056.db2.gz LQLLSJADIDIXMT-GOSISDBHSA-N 0 1 398.488 3.220 20 0 GGADMN C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000142666748 1417594618 /nfs/dbraw/zinc/59/46/18/1417594618.db2.gz OHNHJLOFCFEPBY-HNNXBMFYSA-N 0 1 379.439 3.384 20 0 GGADMN CN(C[C@H](O)COc1ccc2ccccc2c1)C[C@@H]1COc2ccccc2O1 ZINC000142743802 1417597590 /nfs/dbraw/zinc/59/75/90/1417597590.db2.gz CMEYGBAPIDVUSG-PZJWPPBQSA-N 0 1 379.456 3.351 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cccc(C[S@](C)=O)c2)N2CCCC2)cc1 ZINC000143174148 1417616244 /nfs/dbraw/zinc/61/62/44/1417616244.db2.gz AZSKWCXRONDXBC-JIPXPUAJSA-N 0 1 384.545 3.440 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cccc(C[S@](C)=O)c2)N2CCCC2)cc1 ZINC000143174362 1417616569 /nfs/dbraw/zinc/61/65/69/1417616569.db2.gz AZSKWCXRONDXBC-KDYSTLNUSA-N 0 1 384.545 3.440 20 0 GGADMN O=C(CN(CCO)CC1CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000143212983 1417618117 /nfs/dbraw/zinc/61/81/17/1417618117.db2.gz LEXPWXDCRMXWCT-MRXNPFEDSA-N 0 1 389.546 3.192 20 0 GGADMN Cc1ccc(-c2cc(C(=O)NCc3nnc[nH]3)c3cnn(C(C)C)c3n2)s1 ZINC000143204667 1417619973 /nfs/dbraw/zinc/61/99/73/1417619973.db2.gz BLAJDXDAHIKKGF-UHFFFAOYSA-N 0 1 381.465 3.097 20 0 GGADMN O=C(c1cncn1-c1ccc(F)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000143207725 1417620221 /nfs/dbraw/zinc/62/02/21/1417620221.db2.gz AAAKIZYEXWLYRY-UHFFFAOYSA-N 0 1 378.451 3.360 20 0 GGADMN CC(=O)c1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000143271603 1417623325 /nfs/dbraw/zinc/62/33/25/1417623325.db2.gz NXFCCQJOQCJFAL-OAQYLSRUSA-N 0 1 393.487 3.089 20 0 GGADMN CCc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000143270608 1417624074 /nfs/dbraw/zinc/62/40/74/1417624074.db2.gz OJRPEMFYIQSPCO-OAQYLSRUSA-N 0 1 379.504 3.449 20 0 GGADMN O=C(CNCc1c[nH]nc1-c1c(F)cccc1F)N1CCCc2ccccc21 ZINC000178853813 1429197169 /nfs/dbraw/zinc/19/71/69/1429197169.db2.gz CRMGTXFCAOUFOG-UHFFFAOYSA-N 0 1 382.414 3.424 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(SC(F)F)cc1 ZINC000143414288 1417631409 /nfs/dbraw/zinc/63/14/09/1417631409.db2.gz QHJYHCHDOPQRAS-AWEZNQCLSA-N 0 1 378.510 3.295 20 0 GGADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(SC(F)F)cc1 ZINC000143414288 1417631427 /nfs/dbraw/zinc/63/14/27/1417631427.db2.gz QHJYHCHDOPQRAS-AWEZNQCLSA-N 0 1 378.510 3.295 20 0 GGADMN C[C@H]1CN(c2ccc(NC(=O)CN(C)C3Cc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000143487094 1417636440 /nfs/dbraw/zinc/63/64/40/1417636440.db2.gz ANBCATKYBJDQRZ-ROUUACIJSA-N 0 1 393.531 3.338 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826219541 1429197938 /nfs/dbraw/zinc/19/79/38/1429197938.db2.gz GSKXHLCJGLULRJ-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826219541 1429197942 /nfs/dbraw/zinc/19/79/42/1429197942.db2.gz GSKXHLCJGLULRJ-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826219541 1429197947 /nfs/dbraw/zinc/19/79/47/1429197947.db2.gz GSKXHLCJGLULRJ-SFHVURJKSA-N 0 1 379.464 3.091 20 0 GGADMN O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1c[nH]c2ccccc2c1=O ZINC000143607129 1417642619 /nfs/dbraw/zinc/64/26/19/1417642619.db2.gz NMAGBEDXLMEQDO-UHFFFAOYSA-N 0 1 395.422 3.192 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)cc1F ZINC000143665875 1417643690 /nfs/dbraw/zinc/64/36/90/1417643690.db2.gz HCGUWBUFYMDPTD-UHFFFAOYSA-N 0 1 376.472 3.274 20 0 GGADMN COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C ZINC000144026877 1417654647 /nfs/dbraw/zinc/65/46/47/1417654647.db2.gz AWWNIPLMIDIWRF-OAHLLOKOSA-N 0 1 382.420 3.398 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)N1CCCC1 ZINC000144134738 1417656717 /nfs/dbraw/zinc/65/67/17/1417656717.db2.gz LMHQVEWXYPGEAO-HXUWFJFHSA-N 0 1 385.483 3.467 20 0 GGADMN COc1cc(CN(C(=O)c2ccc3[nH]nnc3c2)C2CC2)ccc1OC(F)F ZINC000144455256 1417662336 /nfs/dbraw/zinc/66/23/36/1417662336.db2.gz LOPAKUYEFOKYPX-UHFFFAOYSA-N 0 1 388.374 3.373 20 0 GGADMN CCCCNS(=O)(=O)c1cccc(NC(=O)c2c(O)cccc2Cl)c1 ZINC000144440132 1417662404 /nfs/dbraw/zinc/66/24/04/1417662404.db2.gz OQWAVSFKGYYTAW-UHFFFAOYSA-N 0 1 382.869 3.376 20 0 GGADMN C[C@H]1CN(Cc2csc(NC(=O)c3c(O)cccc3Cl)n2)C[C@H](C)O1 ZINC000144588770 1417666112 /nfs/dbraw/zinc/66/61/12/1417666112.db2.gz ONMPJLMZXRUEAV-QWRGUYRKSA-N 0 1 381.885 3.364 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000144606676 1417668001 /nfs/dbraw/zinc/66/80/01/1417668001.db2.gz HARMTFDLUVTQNN-IRXDYDNUSA-N 0 1 398.544 3.006 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)Nc2cccc(SC)c2)C1 ZINC000144733880 1417669933 /nfs/dbraw/zinc/66/99/33/1417669933.db2.gz KAFQUOITHJQHFP-JKSUJKDBSA-N 0 1 377.554 3.364 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)Nc2cccc(SC)c2)C1 ZINC000144734080 1417670053 /nfs/dbraw/zinc/67/00/53/1417670053.db2.gz KAFQUOITHJQHFP-HOTGVXAUSA-N 0 1 377.554 3.364 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(OCC)cc2)C1 ZINC000144747304 1417671027 /nfs/dbraw/zinc/67/10/27/1417671027.db2.gz ZCXKFPCIPVWEBE-SJORKVTESA-N 0 1 375.513 3.041 20 0 GGADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(OCC)cc2)C1 ZINC000144747304 1417671041 /nfs/dbraw/zinc/67/10/41/1417671041.db2.gz ZCXKFPCIPVWEBE-SJORKVTESA-N 0 1 375.513 3.041 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(OCC)cc2)C1 ZINC000144747130 1417671873 /nfs/dbraw/zinc/67/18/73/1417671873.db2.gz ZCXKFPCIPVWEBE-IAGOWNOFSA-N 0 1 375.513 3.041 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccc(OCC)cc2)C1 ZINC000144747130 1417671886 /nfs/dbraw/zinc/67/18/86/1417671886.db2.gz ZCXKFPCIPVWEBE-IAGOWNOFSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc(-c2n[nH]c(SCc3nnc(C(C)(C)C)o3)n2)c(OC)c1 ZINC000144777706 1417673312 /nfs/dbraw/zinc/67/33/12/1417673312.db2.gz AHEJZLLCSZPTGJ-UHFFFAOYSA-N 0 1 375.454 3.462 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2)c(OC)c1 ZINC000144844155 1417673810 /nfs/dbraw/zinc/67/38/10/1417673810.db2.gz UPGZFQGGQYLDFW-IUODEOHRSA-N 0 1 390.509 3.276 20 0 GGADMN COc1ccc(-c2n[nH]c(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2)c(OC)c1 ZINC000144834793 1417674882 /nfs/dbraw/zinc/67/48/82/1417674882.db2.gz LPKYAEIEGIGTFP-CHWSQXEVSA-N 0 1 390.509 3.371 20 0 GGADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=S)NCCSc2ccccc2)C[C@@H](C)O1 ZINC000145792865 1417700939 /nfs/dbraw/zinc/70/09/39/1417700939.db2.gz CEGUPMUNQBYWTO-KURKYZTESA-N 0 1 393.622 3.227 20 0 GGADMN CC(=O)c1ccc(NC(=S)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000145798100 1417701198 /nfs/dbraw/zinc/70/11/98/1417701198.db2.gz DUPAJHHAUGLPCM-KHYOSLBOSA-N 0 1 375.538 3.160 20 0 GGADMN Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000145811309 1417701862 /nfs/dbraw/zinc/70/18/62/1417701862.db2.gz UQJBLEQSFBREAI-INIZCTEOSA-N 0 1 383.517 3.295 20 0 GGADMN Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000145811130 1417702018 /nfs/dbraw/zinc/70/20/18/1417702018.db2.gz UQJBLEQSFBREAI-MRXNPFEDSA-N 0 1 383.517 3.295 20 0 GGADMN O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000145991501 1417706148 /nfs/dbraw/zinc/70/61/48/1417706148.db2.gz QHEZREILTWBMPL-UHFFFAOYSA-N 0 1 389.908 3.466 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000146036674 1417708446 /nfs/dbraw/zinc/70/84/46/1417708446.db2.gz OCIHAUPSHRIRML-UHFFFAOYSA-N 0 1 381.501 3.372 20 0 GGADMN COc1ccc(-c2nc(CN3CCC[C@H](Cn4ccnn4)C3)cs2)cc1OC ZINC000178871682 1429203382 /nfs/dbraw/zinc/20/33/82/1429203382.db2.gz GCQHGZYKQDHJMY-HNNXBMFYSA-N 0 1 399.520 3.331 20 0 GGADMN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1F ZINC000146474193 1417721303 /nfs/dbraw/zinc/72/13/03/1417721303.db2.gz DZYOUYCEMBOBGU-AWEZNQCLSA-N 0 1 398.525 3.086 20 0 GGADMN COc1ccc(CCCNC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OC ZINC000146597955 1417726147 /nfs/dbraw/zinc/72/61/47/1417726147.db2.gz HBWICZHEYFEVOU-KRWDZBQOSA-N 0 1 391.537 3.300 20 0 GGADMN CCCOCC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000146789447 1417732149 /nfs/dbraw/zinc/73/21/49/1417732149.db2.gz PUSHTTVJMIHLBM-UHFFFAOYSA-N 0 1 396.440 3.000 20 0 GGADMN COCc1nc(C(=O)C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cs1 ZINC000146891830 1417733669 /nfs/dbraw/zinc/73/36/69/1417733669.db2.gz KRHFAVYPGJWMES-SNVBAGLBSA-N 0 1 393.852 3.221 20 0 GGADMN COc1ccc(C)cc1-n1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000146984368 1417735666 /nfs/dbraw/zinc/73/56/66/1417735666.db2.gz YSBZBYSESAHWHK-HXUWFJFHSA-N 0 1 396.466 3.361 20 0 GGADMN CCOC(=O)N[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1C)C(C)C ZINC000147376036 1417745488 /nfs/dbraw/zinc/74/54/88/1417745488.db2.gz GVLJWBZNDZYICP-GOSISDBHSA-N 0 1 393.553 3.253 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(NC(N)=O)c1 ZINC000147389729 1417745683 /nfs/dbraw/zinc/74/56/83/1417745683.db2.gz XNPFUEGDECVSRY-UHFFFAOYSA-N 0 1 384.505 3.287 20 0 GGADMN COc1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1Br ZINC000147473133 1417747462 /nfs/dbraw/zinc/74/74/62/1417747462.db2.gz IGTOQTBLSJIFBS-UHFFFAOYSA-N 0 1 377.647 3.307 20 0 GGADMN Cc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000147992450 1417757428 /nfs/dbraw/zinc/75/74/28/1417757428.db2.gz DRTVZKCRBGZSMA-UHFFFAOYSA-N 0 1 394.441 3.357 20 0 GGADMN CCCC[C@@H](NC(N)=O)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000148041263 1417758370 /nfs/dbraw/zinc/75/83/70/1417758370.db2.gz ZTKWTEUDVNHPQB-QGZVFWFLSA-N 0 1 392.463 3.304 20 0 GGADMN CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc3cccc(C)c3o2)cc1 ZINC000148325168 1417762409 /nfs/dbraw/zinc/76/24/09/1417762409.db2.gz FZQJTRMWTLEITH-CQSZACIVSA-N 0 1 382.416 3.368 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cnn(C)c2C2CC2)N2CCCCC2)cc1 ZINC000148379861 1417763582 /nfs/dbraw/zinc/76/35/82/1417763582.db2.gz BOYRNNIJADEAGT-HXUWFJFHSA-N 0 1 382.508 3.263 20 0 GGADMN Cc1nc(-c2ccc(NC(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)cc2)oc1C ZINC000148901002 1417769554 /nfs/dbraw/zinc/76/95/54/1417769554.db2.gz AMPXPLNHTUXTMH-FQEVSTJZSA-N 0 1 399.539 3.352 20 0 GGADMN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3cccc(C)c3o2)C1=O ZINC000149605843 1417778257 /nfs/dbraw/zinc/77/82/57/1417778257.db2.gz NDPZQUOBQAHILA-NRFANRHFSA-N 0 1 377.400 3.243 20 0 GGADMN CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000150154766 1417785835 /nfs/dbraw/zinc/78/58/35/1417785835.db2.gz OJDQNRYKGDRHLZ-UHFFFAOYSA-N 0 1 389.521 3.461 20 0 GGADMN O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)[C@@H]1CNCCO1 ZINC000150696347 1417789583 /nfs/dbraw/zinc/78/95/83/1417789583.db2.gz JYCYYJIOUHDTBY-KRWDZBQOSA-N 0 1 379.382 3.244 20 0 GGADMN CC[C@](C)(NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1nc(C)cs1 ZINC000150739516 1417795523 /nfs/dbraw/zinc/79/55/23/1417795523.db2.gz QTKRFHNNUKHOQA-SFHVURJKSA-N 0 1 388.518 3.042 20 0 GGADMN COc1cc(CN2CC[C@H](NC(=O)Cc3ccc(Cl)cc3)C2)cc(OC)c1 ZINC000150759229 1417801322 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CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151063967 1417865389 /nfs/dbraw/zinc/86/53/89/1417865389.db2.gz IZZAQLLREQOMCZ-ICSRJNTNSA-N 0 1 391.519 3.346 20 0 GGADMN Cc1cccc(CN2CCN(Cn3nc(-c4ccccn4)n(C)c3=S)CC2)c1 ZINC000151065456 1417865610 /nfs/dbraw/zinc/86/56/10/1417865610.db2.gz QLYYIXFSDKHLBV-UHFFFAOYSA-N 0 1 394.548 3.097 20 0 GGADMN CCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1 ZINC000151083238 1417869493 /nfs/dbraw/zinc/86/94/93/1417869493.db2.gz PSNJJIRPUSLFFV-UHFFFAOYSA-N 0 1 378.432 3.477 20 0 GGADMN CC(C)C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)N1CCCCC1=O ZINC000151092750 1417870805 /nfs/dbraw/zinc/87/08/05/1417870805.db2.gz PISYYZJCHXPLRG-MOPGFXCFSA-N 0 1 389.540 3.350 20 0 GGADMN Cc1csc2nc(CSc3nc(-c4cc(F)cc(F)c4)n[nH]3)cc(=O)n12 ZINC000151112952 1417874483 /nfs/dbraw/zinc/87/44/83/1417874483.db2.gz GZXDGHAIGWMQHT-UHFFFAOYSA-N 0 1 391.428 3.420 20 0 GGADMN COc1cccc(NC(=O)CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000151117480 1417875854 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GGADMN Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nn1C ZINC000151148240 1417882422 /nfs/dbraw/zinc/88/24/22/1417882422.db2.gz HNTLWPASGLOHQK-UHFFFAOYSA-N 0 1 384.461 3.090 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN([C@H](C)c3ccncc3)CC1)CO2 ZINC000151152893 1417883240 /nfs/dbraw/zinc/88/32/40/1417883240.db2.gz BMUUPZWQLZPKLX-UZLBHIALSA-N 0 1 380.492 3.348 20 0 GGADMN COc1ncccc1CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000151164684 1417885646 /nfs/dbraw/zinc/88/56/46/1417885646.db2.gz NUHJJTYZICPUSO-LBPRGKRZSA-N 0 1 383.370 3.496 20 0 GGADMN CCc1ccccc1NC(=O)CN(C)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000151168999 1417886453 /nfs/dbraw/zinc/88/64/53/1417886453.db2.gz AKSVNQWWPOGIOA-UHFFFAOYSA-N 0 1 380.423 3.489 20 0 GGADMN COc1cc(OC)c(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1F ZINC000151168752 1417886575 /nfs/dbraw/zinc/88/65/75/1417886575.db2.gz XOTPSRVIOKMKJJ-INIZCTEOSA-N 0 1 379.407 3.406 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)NCC1([C@@H](O)c2ccccc2)CC1 ZINC000178923835 1429221507 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CC(C)OCc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000151217138 1417895550 /nfs/dbraw/zinc/89/55/50/1417895550.db2.gz APACAJQCQZVEBM-LJQANCHMSA-N 0 1 375.513 3.188 20 0 GGADMN CCc1noc(CC)c1CC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000151225977 1417897587 /nfs/dbraw/zinc/89/75/87/1417897587.db2.gz XLAMLKDWQZRQAR-IBGZPJMESA-N 0 1 385.508 3.304 20 0 GGADMN CCc1noc(CC)c1CC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000151226042 1417897628 /nfs/dbraw/zinc/89/76/28/1417897628.db2.gz XLAMLKDWQZRQAR-LJQANCHMSA-N 0 1 385.508 3.304 20 0 GGADMN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151232068 1417898772 /nfs/dbraw/zinc/89/87/72/1417898772.db2.gz ONKXPNUSXAGQIX-INIZCTEOSA-N 0 1 395.507 3.053 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H](SC)C3)n[nH]2)cc1OC ZINC000151232543 1417898894 /nfs/dbraw/zinc/89/88/94/1417898894.db2.gz YSACKUXAIAHXEK-CQSZACIVSA-N 0 1 375.494 3.452 20 0 GGADMN COc1ccccc1-c1nn(C)cc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000151240538 1417900316 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ICVCPYPDDZCETR-NILFDRSVSA-N 0 1 388.541 3.384 20 0 GGADMN CCCOc1ccccc1NC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000179104431 1429263232 /nfs/dbraw/zinc/26/32/32/1429263232.db2.gz ODAZRIOSLWAJKM-RTBURBONSA-N 0 1 383.492 3.232 20 0 GGADMN CC(C)c1nc(C2([NH2+]CCCOc3ccc(-c4nnn[n-]4)cc3)CCCC2)no1 ZINC000735938751 1429276205 /nfs/dbraw/zinc/27/62/05/1429276205.db2.gz BZLDCRHKIFUWNV-UHFFFAOYSA-N 0 1 397.483 3.201 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548371 1429279584 /nfs/dbraw/zinc/27/95/84/1429279584.db2.gz PDSFKBGHXZOVIB-SWLSCSKDSA-N 0 1 398.442 3.032 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1C ZINC000737548371 1429279588 /nfs/dbraw/zinc/27/95/88/1429279588.db2.gz PDSFKBGHXZOVIB-SWLSCSKDSA-N 0 1 398.442 3.032 20 0 GGADMN CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000179209810 1429295618 /nfs/dbraw/zinc/29/56/18/1429295618.db2.gz ZLJYRJBVJQDPII-IBGZPJMESA-N 0 1 387.528 3.083 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)N2CCCC2)o1 ZINC000179210001 1429295655 /nfs/dbraw/zinc/29/56/55/1429295655.db2.gz OCLLVSVZDKBJKI-XEYPJELSSA-N 0 1 387.524 3.372 20 0 GGADMN C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470503 1429295807 /nfs/dbraw/zinc/29/58/07/1429295807.db2.gz IYVLSDVAPQGVJM-QRWLVFNGSA-N 0 1 390.491 3.195 20 0 GGADMN CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825128636 1429296054 /nfs/dbraw/zinc/29/60/54/1429296054.db2.gz XCIRUCZZDHMXFR-MRXNPFEDSA-N 0 1 385.443 3.134 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCOC(C)(C)C3)c2C1 ZINC000179213035 1429296831 /nfs/dbraw/zinc/29/68/31/1429296831.db2.gz XBFKTYIASNDREM-NVXWUHKLSA-N 0 1 387.524 3.059 20 0 GGADMN CN(C)C(=O)[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1 ZINC000179229364 1429300187 /nfs/dbraw/zinc/30/01/87/1429300187.db2.gz OIYYNLUHXCHOBK-HNAYVOBHSA-N 0 1 375.875 3.477 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCCN1CC ZINC000179228434 1429300219 /nfs/dbraw/zinc/30/02/19/1429300219.db2.gz CATMCJLBTUIXDV-MRXNPFEDSA-N 0 1 385.430 3.367 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247420 1429304283 /nfs/dbraw/zinc/30/42/83/1429304283.db2.gz NKZHJYRAPZBEGP-KSSFIOAISA-N 0 1 376.863 3.366 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247525 1429304809 /nfs/dbraw/zinc/30/48/09/1429304809.db2.gz CTKHDABYEHTDHF-KXBFYZLASA-N 0 1 390.890 3.409 20 0 GGADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 ZINC000179259918 1429307167 /nfs/dbraw/zinc/30/71/67/1429307167.db2.gz GUWUOSFTMRMJFK-UHFFFAOYSA-N 0 1 387.461 3.269 20 0 GGADMN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(-c2nnc[nH]2)c1 ZINC000179285875 1429314613 /nfs/dbraw/zinc/31/46/13/1429314613.db2.gz GSIBKPSSJGQVLX-UHFFFAOYSA-N 0 1 387.399 3.247 20 0 GGADMN C[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000820665764 1429314879 /nfs/dbraw/zinc/31/48/79/1429314879.db2.gz GQNUJBNINUZGIQ-CZUORRHYSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000820665764 1429314884 /nfs/dbraw/zinc/31/48/84/1429314884.db2.gz GQNUJBNINUZGIQ-CZUORRHYSA-N 0 1 383.887 3.380 20 0 GGADMN C[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000820665764 1429314890 /nfs/dbraw/zinc/31/48/90/1429314890.db2.gz GQNUJBNINUZGIQ-CZUORRHYSA-N 0 1 383.887 3.380 20 0 GGADMN Cc1cccc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3-c3nnn[n-]3)C2)c1 ZINC000826297619 1429316044 /nfs/dbraw/zinc/31/60/44/1429316044.db2.gz MWZFETOISZGCHR-OAHLLOKOSA-N 0 1 396.882 3.257 20 0 GGADMN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCN(C)CC3)nc1)CCC2 ZINC000179296615 1429318472 /nfs/dbraw/zinc/31/84/72/1429318472.db2.gz QCGDKHPPPVNPIY-NRFANRHFSA-N 0 1 393.535 3.019 20 0 GGADMN O=C(c1cc2ccccc2cc1OC(F)F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179305890 1429321989 /nfs/dbraw/zinc/32/19/89/1429321989.db2.gz AVGOVLDSRMFOSI-HNNXBMFYSA-N 0 1 390.430 3.236 20 0 GGADMN COc1ccc(CN2CC[C@@H](NCc3cc4cc(OC)ccc4o3)C2=O)cc1 ZINC000179307097 1429322746 /nfs/dbraw/zinc/32/27/46/1429322746.db2.gz BWOFNBJURWQHHW-HXUWFJFHSA-N 0 1 380.444 3.341 20 0 GGADMN CSc1ccc(Cl)c(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000179319890 1429328032 /nfs/dbraw/zinc/32/80/32/1429328032.db2.gz IAZDTAOJRPMQEL-JKSUJKDBSA-N 0 1 390.936 3.427 20 0 GGADMN CC(C)NC(=O)c1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000179309213 1429324200 /nfs/dbraw/zinc/32/42/00/1429324200.db2.gz TZXRGDCLLNZUMN-UHFFFAOYSA-N 0 1 393.531 3.392 20 0 GGADMN O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000179312643 1429324879 /nfs/dbraw/zinc/32/48/79/1429324879.db2.gz CUKHWBSOINUEEU-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN CCn1cc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c2ccccc21 ZINC000179320017 1429328185 /nfs/dbraw/zinc/32/81/85/1429328185.db2.gz CSXIZUNARUBNON-RBUKOAKNSA-N 0 1 377.488 3.026 20 0 GGADMN CN1CC[C@H](CNC(=O)NC[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179330194 1429331061 /nfs/dbraw/zinc/33/10/61/1429331061.db2.gz XOMZTWZFUPUBBD-JOQOYGCGSA-N 0 1 383.895 3.198 20 0 GGADMN COc1ccc(C(F)(F)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179334621 1429332429 /nfs/dbraw/zinc/33/24/29/1429332429.db2.gz BAHPWGUJSUZPLA-ZDUSSCGKSA-N 0 1 376.407 3.189 20 0 GGADMN COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179334628 1429332552 /nfs/dbraw/zinc/33/25/52/1429332552.db2.gz BAHPWGUJSUZPLA-CYBMUJFWSA-N 0 1 376.407 3.189 20 0 GGADMN COCCO[C@H]1CCCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000179335842 1429333000 /nfs/dbraw/zinc/33/30/00/1429333000.db2.gz HRYJOWAGAZRLOP-UGKGYDQZSA-N 0 1 396.531 3.408 20 0 GGADMN CCc1nc(-c2ccc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc2)n[nH]1 ZINC000179336440 1429333266 /nfs/dbraw/zinc/33/32/66/1429333266.db2.gz NOSJYKDOHOWWBM-INIZCTEOSA-N 0 1 391.479 3.049 20 0 GGADMN COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179335243 1429333359 /nfs/dbraw/zinc/33/33/59/1429333359.db2.gz SYNTZVZUFPPWIE-OAHLLOKOSA-N 0 1 392.463 3.101 20 0 GGADMN Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1F ZINC000179335324 1429333616 /nfs/dbraw/zinc/33/36/16/1429333616.db2.gz PVHYNBVSPLLNIQ-HNNXBMFYSA-N 0 1 394.454 3.335 20 0 GGADMN CNC(=O)[C@H]1CCCCN1Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000179338027 1429334269 /nfs/dbraw/zinc/33/42/69/1429334269.db2.gz NZRWDRZJWSKLSK-OAQYLSRUSA-N 0 1 392.503 3.322 20 0 GGADMN COCCn1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2ccccc21 ZINC000179340895 1429335268 /nfs/dbraw/zinc/33/52/68/1429335268.db2.gz JLPAWXMWQPJGKE-INIZCTEOSA-N 0 1 393.491 3.303 20 0 GGADMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000179341782 1429335669 /nfs/dbraw/zinc/33/56/69/1429335669.db2.gz KELRMXXPEQKAEA-HXUWFJFHSA-N 0 1 396.539 3.456 20 0 GGADMN COCCCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179342109 1429335687 /nfs/dbraw/zinc/33/56/87/1429335687.db2.gz HGWKAKLAENPSCI-KRWDZBQOSA-N 0 1 384.480 3.117 20 0 GGADMN Cc1cc(CNC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)on1 ZINC000179340605 1429335719 /nfs/dbraw/zinc/33/57/19/1429335719.db2.gz BMSOEGFHPNKVTI-CXAGYDPISA-N 0 1 380.851 3.268 20 0 GGADMN O=C(N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000179344128 1429336199 /nfs/dbraw/zinc/33/61/99/1429336199.db2.gz CBMKBVGWLWIQPD-MRXNPFEDSA-N 0 1 398.482 3.276 20 0 GGADMN O=C(CCCNC(=O)c1cccc(-c2nnc[nH]2)c1)Nc1ccc(Cl)cc1 ZINC000179343434 1429336417 /nfs/dbraw/zinc/33/64/17/1429336417.db2.gz YANGANMNFGKNLH-UHFFFAOYSA-N 0 1 383.839 3.274 20 0 GGADMN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179344314 1429336972 /nfs/dbraw/zinc/33/69/72/1429336972.db2.gz UDKHFAXSIHVQJF-CQSZACIVSA-N 0 1 381.436 3.187 20 0 GGADMN CCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OCC ZINC000179351534 1429340064 /nfs/dbraw/zinc/34/00/64/1429340064.db2.gz GPLDZBGBQGILKK-INIZCTEOSA-N 0 1 384.480 3.499 20 0 GGADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353899 1429340458 /nfs/dbraw/zinc/34/04/58/1429340458.db2.gz FBFKATUYMKVMJO-CQSZACIVSA-N 0 1 377.448 3.264 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000179352676 1429340535 /nfs/dbraw/zinc/34/05/35/1429340535.db2.gz VWCRRNYEUWCUOB-UHFFFAOYSA-N 0 1 398.551 3.225 20 0 GGADMN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179353912 1429340648 /nfs/dbraw/zinc/34/06/48/1429340648.db2.gz ZYVROGCVENDBMU-AWEZNQCLSA-N 0 1 378.432 3.117 20 0 GGADMN COc1cccc(C=CC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1OC(F)F ZINC000179355661 1429341425 /nfs/dbraw/zinc/34/14/25/1429341425.db2.gz CSRPZMXIXAHDHP-XEHSLEBBSA-N 0 1 378.379 3.182 20 0 GGADMN COc1ccc(C(=O)N2CCN(C[C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1OC ZINC000179357705 1429342517 /nfs/dbraw/zinc/34/25/17/1429342517.db2.gz WVGNNRACMXHLNC-DLBZAZTESA-N 0 1 390.524 3.297 20 0 GGADMN O=C(N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000179356596 1429341707 /nfs/dbraw/zinc/34/17/07/1429341707.db2.gz ZPGBUBKDUKOTSE-INIZCTEOSA-N 0 1 398.482 3.276 20 0 GGADMN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179347011 1429337599 /nfs/dbraw/zinc/33/75/99/1429337599.db2.gz CPIXSPQABGALAP-WMLDXEAASA-N 0 1 382.464 3.058 20 0 GGADMN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179346752 1429337660 /nfs/dbraw/zinc/33/76/60/1429337660.db2.gz NZCCEQDZSQGNRC-VQIMIIECSA-N 0 1 389.459 3.065 20 0 GGADMN CC(=O)Nc1ccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179346113 1429337712 /nfs/dbraw/zinc/33/77/12/1429337712.db2.gz MELMZWAJTOGESO-SCBHQAGPSA-N 0 1 379.464 3.060 20 0 GGADMN CCc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179345952 1429337845 /nfs/dbraw/zinc/33/78/45/1429337845.db2.gz DLEOBUWATVCWOC-HNNXBMFYSA-N 0 1 378.480 3.000 20 0 GGADMN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179346778 1429337901 /nfs/dbraw/zinc/33/79/01/1429337901.db2.gz NZCCEQDZSQGNRC-LPHOPBHVSA-N 0 1 389.459 3.065 20 0 GGADMN COc1ccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000179348512 1429338275 /nfs/dbraw/zinc/33/82/75/1429338275.db2.gz WQTHXIJPPUHQBH-DHINHOHASA-N 0 1 382.464 3.119 20 0 GGADMN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179347020 1429338305 /nfs/dbraw/zinc/33/83/05/1429338305.db2.gz CPIXSPQABGALAP-RHSMWYFYSA-N 0 1 382.464 3.058 20 0 GGADMN COc1ccc(OCCCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179348720 1429338320 /nfs/dbraw/zinc/33/83/20/1429338320.db2.gz PMVGVBQWUTZILB-MRXNPFEDSA-N 0 1 384.480 3.256 20 0 GGADMN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179349562 1429339149 /nfs/dbraw/zinc/33/91/49/1429339149.db2.gz WJKYBZWDOFDPDP-ZDUSSCGKSA-N 0 1 398.492 3.132 20 0 GGADMN O=C(c1ccc(-n2cccn2)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179359886 1429342907 /nfs/dbraw/zinc/34/29/07/1429342907.db2.gz XCOBHKFFDIQMHX-HNNXBMFYSA-N 0 1 380.427 3.027 20 0 GGADMN O=C(CCc1nnc(C2CCCC2)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179360359 1429343125 /nfs/dbraw/zinc/34/31/25/1429343125.db2.gz AMOPVHHMCYEAPY-HNNXBMFYSA-N 0 1 384.484 3.062 20 0 GGADMN Cc1ccc(C2(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)CCOCC2)cc1 ZINC000179359924 1429343146 /nfs/dbraw/zinc/34/31/46/1429343146.db2.gz WJQPHNOCIHHGPI-GOSISDBHSA-N 0 1 394.519 3.445 20 0 GGADMN FC(F)(F)COCc1cccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826367699 1429343638 /nfs/dbraw/zinc/34/36/38/1429343638.db2.gz KUOFKPUCVMNRMA-UHFFFAOYSA-N 0 1 377.370 3.235 20 0 GGADMN COc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1OC(F)F ZINC000179360906 1429344105 /nfs/dbraw/zinc/34/41/05/1429344105.db2.gz XFBUZMTZJPKZDA-CYBMUJFWSA-N 0 1 392.406 3.312 20 0 GGADMN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179363956 1429345268 /nfs/dbraw/zinc/34/52/68/1429345268.db2.gz YBAZXKIJGCNLFK-KRWDZBQOSA-N 0 1 388.475 3.467 20 0 GGADMN O=C(c1c[nH]nc1-c1c(F)cccc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179364010 1429345434 /nfs/dbraw/zinc/34/54/34/1429345434.db2.gz JYYXNSUTHFHLDS-LBPRGKRZSA-N 0 1 398.417 3.370 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179363930 1429345568 /nfs/dbraw/zinc/34/55/68/1429345568.db2.gz SPCHJWYXLFPNLU-CQSZACIVSA-N 0 1 381.411 3.496 20 0 GGADMN COc1cc(C=CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc(OC)c1 ZINC000179364881 1429345594 /nfs/dbraw/zinc/34/55/94/1429345594.db2.gz OXDIAZICUWMMMR-WHWKNOJMSA-N 0 1 382.464 3.119 20 0 GGADMN Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cnn1Cc1ccccc1 ZINC000179365328 1429345957 /nfs/dbraw/zinc/34/59/57/1429345957.db2.gz XXYRWIIURUVXFU-GOSISDBHSA-N 0 1 390.491 3.255 20 0 GGADMN O=C(c1ccc(N2CCCC2)c(F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179366094 1429346552 /nfs/dbraw/zinc/34/65/52/1429346552.db2.gz YQKLSLCKUMGXLH-INIZCTEOSA-N 0 1 383.471 3.441 20 0 GGADMN Brc1cc(CN2CCC[C@@H](C3OCCO3)C2)cc2c1OCCCO2 ZINC000179366105 1429347005 /nfs/dbraw/zinc/34/70/05/1429347005.db2.gz APQUBPFTSURDIC-CQSZACIVSA-N 0 1 398.297 3.195 20 0 GGADMN COc1cc(Br)c(CN2CCC[C@@H](C3OCCO3)C2)c(OC)c1 ZINC000179367939 1429347837 /nfs/dbraw/zinc/34/78/37/1429347837.db2.gz GVUCDTIAXKFDGE-GFCCVEGCSA-N 0 1 386.286 3.051 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC(C)(C)c1ccncc1 ZINC000179373777 1429348689 /nfs/dbraw/zinc/34/86/89/1429348689.db2.gz HEPPKQUPYXEYBN-UHFFFAOYSA-N 0 1 381.524 3.241 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCc2cc(F)ccc2C1 ZINC000179382481 1429351947 /nfs/dbraw/zinc/35/19/47/1429351947.db2.gz QHKFVMMEAIDMAM-UHFFFAOYSA-N 0 1 382.483 3.476 20 0 GGADMN COc1ccc(COCCCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000179386927 1429353526 /nfs/dbraw/zinc/35/35/26/1429353526.db2.gz KPBDWBPZPMJAQB-UHFFFAOYSA-N 0 1 397.519 3.168 20 0 GGADMN O=C(N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1(c2ccccc2)CCOCC1 ZINC000179368175 1429347415 /nfs/dbraw/zinc/34/74/15/1429347415.db2.gz ZNVBEAYGAWVYCS-KRWDZBQOSA-N 0 1 380.492 3.137 20 0 GGADMN COc1cc(Br)c(CN2CCC[C@H](C3OCCO3)C2)c(OC)c1 ZINC000179367929 1429347546 /nfs/dbraw/zinc/34/75/46/1429347546.db2.gz GVUCDTIAXKFDGE-LBPRGKRZSA-N 0 1 386.286 3.051 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000179390612 1429355401 /nfs/dbraw/zinc/35/54/01/1429355401.db2.gz ORXOIVDKVKLECZ-UHFFFAOYSA-N 0 1 376.460 3.336 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC=C(c3cccc(C)c3)CC2)CC1 ZINC000179398607 1429358867 /nfs/dbraw/zinc/35/88/67/1429358867.db2.gz JVYGSNYQXSUQEU-SFHVURJKSA-N 0 1 384.520 3.274 20 0 GGADMN Cc1cc2ncc([C@H](C)NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)c(C)n2n1 ZINC000179407274 1429362533 /nfs/dbraw/zinc/36/25/33/1429362533.db2.gz WBWXTZXCFLBZML-YWZLYKJASA-N 0 1 393.491 3.314 20 0 GGADMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824698954 1429363408 /nfs/dbraw/zinc/36/34/08/1429363408.db2.gz OTWJGWWMYXLUIG-UZLBHIALSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824698954 1429363413 /nfs/dbraw/zinc/36/34/13/1429363413.db2.gz OTWJGWWMYXLUIG-UZLBHIALSA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824698954 1429363417 /nfs/dbraw/zinc/36/34/17/1429363417.db2.gz OTWJGWWMYXLUIG-UZLBHIALSA-N 0 1 393.491 3.181 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000825958303 1429363782 /nfs/dbraw/zinc/36/37/82/1429363782.db2.gz QSRZRMSMWJOSTG-KRWDZBQOSA-N 0 1 382.855 3.145 20 0 GGADMN Cc1cc(NC(=O)C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)no1 ZINC000179440806 1429376755 /nfs/dbraw/zinc/37/67/55/1429376755.db2.gz BPBPWNCWAHEWQW-UHFFFAOYSA-N 0 1 379.464 3.079 20 0 GGADMN Cc1cc2ncc([C@@H](C)NC[C@@](O)(c3ccccc3)C(F)(F)F)c(C)n2n1 ZINC000179422180 1429368667 /nfs/dbraw/zinc/36/86/67/1429368667.db2.gz UWUGZNVLTDUJBC-FZKQIMNGSA-N 0 1 378.398 3.447 20 0 GGADMN O=C(NCc1ccncc1)Nc1cccc(CNCc2cccc3nccn32)c1 ZINC000179425834 1429370807 /nfs/dbraw/zinc/37/08/07/1429370807.db2.gz YEHHZIRXFTZLAH-UHFFFAOYSA-N 0 1 386.459 3.341 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825962335 1429372105 /nfs/dbraw/zinc/37/21/05/1429372105.db2.gz XCMLTKORGZVXMN-UHFFFAOYSA-N 0 1 392.529 3.196 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825962335 1429372111 /nfs/dbraw/zinc/37/21/11/1429372111.db2.gz XCMLTKORGZVXMN-UHFFFAOYSA-N 0 1 392.529 3.196 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825962335 1429372117 /nfs/dbraw/zinc/37/21/17/1429372117.db2.gz XCMLTKORGZVXMN-UHFFFAOYSA-N 0 1 392.529 3.196 20 0 GGADMN Cn1ccnc1C[C@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000179432428 1429373690 /nfs/dbraw/zinc/37/36/90/1429373690.db2.gz GXPJPWRVIVFVEG-CYBMUJFWSA-N 0 1 392.297 3.366 20 0 GGADMN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(F)c1 ZINC000179473356 1429387100 /nfs/dbraw/zinc/38/71/00/1429387100.db2.gz CCMWQGKXXCSQKT-WOJBJXKFSA-N 0 1 399.466 3.113 20 0 GGADMN CCCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(C)c1 ZINC000179469553 1429386229 /nfs/dbraw/zinc/38/62/29/1429386229.db2.gz KTPYWAOGRBLJCR-LEWJYISDSA-N 0 1 395.503 3.284 20 0 GGADMN CCCCOc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179469577 1429386285 /nfs/dbraw/zinc/38/62/85/1429386285.db2.gz JZJWWETWABYRJF-PZJWPPBQSA-N 0 1 395.503 3.366 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3C)[nH]n2)o1 ZINC000179471269 1429386427 /nfs/dbraw/zinc/38/64/27/1429386427.db2.gz DSNVVZJQQAHGOO-UHFFFAOYSA-N 0 1 394.431 3.011 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1c1ccccc1 ZINC000179475075 1429387620 /nfs/dbraw/zinc/38/76/20/1429387620.db2.gz TUJVCRMZPSAMGL-WOJBJXKFSA-N 0 1 379.504 3.484 20 0 GGADMN CC(C)COc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179474445 1429387667 /nfs/dbraw/zinc/38/76/67/1429387667.db2.gz UCNFIBQSHYJXIL-PZJWPPBQSA-N 0 1 395.503 3.222 20 0 GGADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(C)(C)C)[C@H]1c1ccccc1 ZINC000179474698 1429387824 /nfs/dbraw/zinc/38/78/24/1429387824.db2.gz FMFKYCPJOVDEHR-VQTJNVASSA-N 0 1 379.504 3.484 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1 ZINC000179477238 1429388432 /nfs/dbraw/zinc/38/84/32/1429388432.db2.gz KMSNFIDMYDXDGJ-SJORKVTESA-N 0 1 392.286 3.494 20 0 GGADMN COC(=O)C1CCC(C(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000179484865 1429389620 /nfs/dbraw/zinc/38/96/20/1429389620.db2.gz DLZBJMOGYPUWPW-UHFFFAOYSA-N 0 1 376.522 3.153 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000179486251 1429390103 /nfs/dbraw/zinc/39/01/03/1429390103.db2.gz JBROBEARTPCTTI-UHFFFAOYSA-N 0 1 389.503 3.105 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCc2sccc2C1 ZINC000179488438 1429390794 /nfs/dbraw/zinc/39/07/94/1429390794.db2.gz LWPSWNCCRMMFPO-UHFFFAOYSA-N 0 1 376.388 3.085 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179497285 1429395773 /nfs/dbraw/zinc/39/57/73/1429395773.db2.gz IDCYMYLYEDXEIR-SFHVURJKSA-N 0 1 382.508 3.023 20 0 GGADMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)CC1 ZINC000179492210 1429392221 /nfs/dbraw/zinc/39/22/21/1429392221.db2.gz OPRLSDAVOZXCQL-UHFFFAOYSA-N 0 1 383.492 3.186 20 0 GGADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000179493982 1429394234 /nfs/dbraw/zinc/39/42/34/1429394234.db2.gz IAUOGWNXMQMKBB-KRWDZBQOSA-N 0 1 394.523 3.100 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1Cl ZINC000179500878 1429397967 /nfs/dbraw/zinc/39/79/67/1429397967.db2.gz FAEQYFVFYGXNRR-ZFWWWQNUSA-N 0 1 387.915 3.392 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1Cl ZINC000179500889 1429398354 /nfs/dbraw/zinc/39/83/54/1429398354.db2.gz FAEQYFVFYGXNRR-HIFRSBDPSA-N 0 1 387.915 3.392 20 0 GGADMN Cc1ccc2nc(NC(=O)CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)sc2c1 ZINC000179502095 1429399119 /nfs/dbraw/zinc/39/91/19/1429399119.db2.gz KMHUEKXGRGOFOU-CQSZACIVSA-N 0 1 396.520 3.418 20 0 GGADMN Cc1ccc2nc(NC(=O)CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)sc2c1 ZINC000179502095 1429399126 /nfs/dbraw/zinc/39/91/26/1429399126.db2.gz KMHUEKXGRGOFOU-CQSZACIVSA-N 0 1 396.520 3.418 20 0 GGADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)N1CCSc2ccccc21 ZINC000179514042 1429404471 /nfs/dbraw/zinc/40/44/71/1429404471.db2.gz BOKFKUIZUKYAKM-OAHLLOKOSA-N 0 1 383.521 3.000 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1ccc(OC(F)F)cc1 ZINC000179512407 1429403493 /nfs/dbraw/zinc/40/34/93/1429403493.db2.gz DEPOYPXMNDHQCS-CYBMUJFWSA-N 0 1 391.422 3.102 20 0 GGADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(OC(F)F)cc1 ZINC000179512407 1429403494 /nfs/dbraw/zinc/40/34/94/1429403494.db2.gz DEPOYPXMNDHQCS-CYBMUJFWSA-N 0 1 391.422 3.102 20 0 GGADMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179505552 1429401010 /nfs/dbraw/zinc/40/10/10/1429401010.db2.gz MHKUWCGIDZFVRU-JSGCOSHPSA-N 0 1 396.520 3.498 20 0 GGADMN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179505552 1429401015 /nfs/dbraw/zinc/40/10/15/1429401015.db2.gz MHKUWCGIDZFVRU-JSGCOSHPSA-N 0 1 396.520 3.498 20 0 GGADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)N1CCSc2ccccc21 ZINC000179514042 1429404467 /nfs/dbraw/zinc/40/44/67/1429404467.db2.gz BOKFKUIZUKYAKM-OAHLLOKOSA-N 0 1 383.521 3.000 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179507512 1429401693 /nfs/dbraw/zinc/40/16/93/1429401693.db2.gz XTDSVZZGSYXEPN-YPMHNXCESA-N 0 1 375.423 3.167 20 0 GGADMN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179507512 1429401695 /nfs/dbraw/zinc/40/16/95/1429401695.db2.gz XTDSVZZGSYXEPN-YPMHNXCESA-N 0 1 375.423 3.167 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179515959 1429405158 /nfs/dbraw/zinc/40/51/58/1429405158.db2.gz OARPLVKRGYAOJC-GUYCJALGSA-N 0 1 381.480 3.091 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179515959 1429405161 /nfs/dbraw/zinc/40/51/61/1429405161.db2.gz OARPLVKRGYAOJC-GUYCJALGSA-N 0 1 381.480 3.091 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)cc1 ZINC000179529004 1429411121 /nfs/dbraw/zinc/41/11/21/1429411121.db2.gz BWWBAOVSFAKBIG-OLZOCXBDSA-N 0 1 375.494 3.312 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000179530789 1429411755 /nfs/dbraw/zinc/41/17/55/1429411755.db2.gz PKYNBAIQDFNYQG-OAHLLOKOSA-N 0 1 390.505 3.167 20 0 GGADMN COC(=O)COc1c(C)cc(CN2CCc3c(cccc3NC(C)=O)C2)cc1C ZINC000179532531 1429413073 /nfs/dbraw/zinc/41/30/73/1429413073.db2.gz AGWODKHZEJGZJK-UHFFFAOYSA-N 0 1 396.487 3.372 20 0 GGADMN Cc1cc(C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)n(-c2ccccc2)n1 ZINC000822200171 1429412875 /nfs/dbraw/zinc/41/28/75/1429412875.db2.gz XBBVOYQSUQLAHH-AWEZNQCLSA-N 0 1 391.454 3.221 20 0 GGADMN CCSCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821456419 1429417090 /nfs/dbraw/zinc/41/70/90/1429417090.db2.gz PSPYJOLJYNECAA-LBPRGKRZSA-N 0 1 396.948 3.312 20 0 GGADMN CCSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456419 1429417093 /nfs/dbraw/zinc/41/70/93/1429417093.db2.gz PSPYJOLJYNECAA-LBPRGKRZSA-N 0 1 396.948 3.312 20 0 GGADMN CCSCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821456419 1429417097 /nfs/dbraw/zinc/41/70/97/1429417097.db2.gz PSPYJOLJYNECAA-LBPRGKRZSA-N 0 1 396.948 3.312 20 0 GGADMN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820050980 1429421551 /nfs/dbraw/zinc/42/15/51/1429421551.db2.gz IJQJKQVUZVHBHH-GOSISDBHSA-N 0 1 394.545 3.347 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000823821557 1429427522 /nfs/dbraw/zinc/42/75/22/1429427522.db2.gz WSSLOPSBBCDBFH-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000823821557 1429427524 /nfs/dbraw/zinc/42/75/24/1429427524.db2.gz WSSLOPSBBCDBFH-INIZCTEOSA-N 0 1 385.269 3.361 20 0 GGADMN CC[C@@H](C(=O)NNC(=O)c1ccc(Br)s1)c1ccc(OC)cc1 ZINC000179560273 1429433370 /nfs/dbraw/zinc/43/33/70/1429433370.db2.gz GACBDMGSMWEOTG-GFCCVEGCSA-N 0 1 397.294 3.474 20 0 GGADMN CC[C@H](C(=O)NNC(=O)c1ccc(Br)s1)c1ccc(OC)cc1 ZINC000179560257 1429433828 /nfs/dbraw/zinc/43/38/28/1429433828.db2.gz GACBDMGSMWEOTG-LBPRGKRZSA-N 0 1 397.294 3.474 20 0 GGADMN CCC[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)CCO1 ZINC000179561503 1429434219 /nfs/dbraw/zinc/43/42/19/1429434219.db2.gz QIUYZSRBFHNICX-WMZOPIPTSA-N 0 1 387.524 3.013 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)cc1-c1nn[n-]n1 ZINC000826202648 1429434564 /nfs/dbraw/zinc/43/45/64/1429434564.db2.gz HHDBYZWQICHFNT-UHFFFAOYSA-N 0 1 388.269 3.236 20 0 GGADMN CC(C)(NCC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(F)c1 ZINC000179564644 1429436794 /nfs/dbraw/zinc/43/67/94/1429436794.db2.gz JXOBLBHSGATOLZ-UHFFFAOYSA-N 0 1 375.513 3.056 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000179574509 1429444569 /nfs/dbraw/zinc/44/45/69/1429444569.db2.gz HVFBTFHMCYDISO-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN COC(=O)c1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)c(F)c1 ZINC000179575897 1429445039 /nfs/dbraw/zinc/44/50/39/1429445039.db2.gz YHJYIQYNZALTDH-UHFFFAOYSA-N 0 1 386.423 3.169 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000179574894 1429445434 /nfs/dbraw/zinc/44/54/34/1429445434.db2.gz KIRAREKLFIJMLE-CYBMUJFWSA-N 0 1 391.418 3.279 20 0 GGADMN CC(C)(NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(F)c1 ZINC000179579729 1429449840 /nfs/dbraw/zinc/44/98/40/1429449840.db2.gz VSZYLJMAODSKOT-UHFFFAOYSA-N 0 1 389.496 3.328 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179582785 1429451652 /nfs/dbraw/zinc/45/16/52/1429451652.db2.gz DKJXPHLEUJGCLA-GFCCVEGCSA-N 0 1 378.375 3.364 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc(OC(F)F)c1 ZINC000179583161 1429452064 /nfs/dbraw/zinc/45/20/64/1429452064.db2.gz GKWFGNMDYFSYMC-ZDUSSCGKSA-N 0 1 391.418 3.279 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000179585752 1429454524 /nfs/dbraw/zinc/45/45/24/1429454524.db2.gz UZEXYTWBTQKENG-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1 ZINC000179595491 1429460935 /nfs/dbraw/zinc/46/09/35/1429460935.db2.gz WNXHEQKIFOBFHA-LBPRGKRZSA-N 0 1 378.375 3.349 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cs1)[NH2+][C@H](C)c1ccccc1 ZINC000820054590 1429457874 /nfs/dbraw/zinc/45/78/74/1429457874.db2.gz BZJUWIYFYGFMQD-RHSMWYFYSA-N 0 1 398.536 3.424 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000179591980 1429458770 /nfs/dbraw/zinc/45/87/70/1429458770.db2.gz XCAQUCPSCDPEQL-NWDGAFQWSA-N 0 1 377.391 3.065 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000826502806 1429458990 /nfs/dbraw/zinc/45/89/90/1429458990.db2.gz KZWYVOTXVKRRPI-IBGZPJMESA-N 0 1 392.488 3.059 20 0 GGADMN COc1ccccc1C=CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826218595 1429459298 /nfs/dbraw/zinc/45/92/98/1429459298.db2.gz GZMUBLHIWQSWTJ-TWGQIWQCSA-N 0 1 390.491 3.101 20 0 GGADMN COc1ccccc1C=CC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826218595 1429459305 /nfs/dbraw/zinc/45/93/05/1429459305.db2.gz GZMUBLHIWQSWTJ-TWGQIWQCSA-N 0 1 390.491 3.101 20 0 GGADMN COc1ccccc1C=CC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826218595 1429459310 /nfs/dbraw/zinc/45/93/10/1429459310.db2.gz GZMUBLHIWQSWTJ-TWGQIWQCSA-N 0 1 390.491 3.101 20 0 GGADMN CCc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc(-c2ccncc2)n1 ZINC000179599128 1429463770 /nfs/dbraw/zinc/46/37/70/1429463770.db2.gz LIHSCSOUBIDRRR-INIZCTEOSA-N 0 1 375.480 3.481 20 0 GGADMN CCc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc(-c2ccncc2)n1 ZINC000179599128 1429463779 /nfs/dbraw/zinc/46/37/79/1429463779.db2.gz LIHSCSOUBIDRRR-INIZCTEOSA-N 0 1 375.480 3.481 20 0 GGADMN Cc1cccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3O)CC2)c1C ZINC000179599349 1429464166 /nfs/dbraw/zinc/46/41/66/1429464166.db2.gz AXIDBNJETIHPIE-UHFFFAOYSA-N 0 1 387.911 3.419 20 0 GGADMN Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)c1C ZINC000179599349 1429464175 /nfs/dbraw/zinc/46/41/75/1429464175.db2.gz AXIDBNJETIHPIE-UHFFFAOYSA-N 0 1 387.911 3.419 20 0 GGADMN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)c1cccc(Cl)c1)cc2=O ZINC000179602153 1429465711 /nfs/dbraw/zinc/46/57/11/1429465711.db2.gz UYKJUSAVJBHIRI-UHFFFAOYSA-N 0 1 388.855 3.290 20 0 GGADMN O=C(CCc1ccc2[nH]ccc2c1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000179603324 1429465879 /nfs/dbraw/zinc/46/58/79/1429465879.db2.gz WUHNJQWGUVLFNP-UHFFFAOYSA-N 0 1 390.531 3.035 20 0 GGADMN CC(C)(NCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1cccc(Cl)c1 ZINC000179602878 1429466018 /nfs/dbraw/zinc/46/60/18/1429466018.db2.gz SWCLLSZUUYJCLE-UHFFFAOYSA-N 0 1 391.943 3.026 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000179604445 1429467204 /nfs/dbraw/zinc/46/72/04/1429467204.db2.gz DWCXITQFWWBVIG-CYBMUJFWSA-N 0 1 385.432 3.421 20 0 GGADMN COC(=O)c1sccc1NC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179607835 1429468461 /nfs/dbraw/zinc/46/84/61/1429468461.db2.gz FDCLECSQNMDZLR-SNVBAGLBSA-N 0 1 384.404 3.425 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179608785 1429469561 /nfs/dbraw/zinc/46/95/61/1429469561.db2.gz TXGVLHASPIUQEB-AWEZNQCLSA-N 0 1 378.419 3.401 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(OC(F)F)cc1 ZINC000179610804 1429470008 /nfs/dbraw/zinc/47/00/08/1429470008.db2.gz YAXKSDFJKPIROP-NSHDSACASA-N 0 1 383.420 3.026 20 0 GGADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2nnc(C(C)C)s2)cc1OC ZINC000179619057 1429473949 /nfs/dbraw/zinc/47/39/49/1429473949.db2.gz FWHRDAXVIBVDFP-GFCCVEGCSA-N 0 1 378.498 3.276 20 0 GGADMN COc1cccc(CN(C)C(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000179622297 1429475098 /nfs/dbraw/zinc/47/50/98/1429475098.db2.gz RAYMNJKGSSYZPO-MRXNPFEDSA-N 0 1 386.492 3.330 20 0 GGADMN O=C(NCCc1cc(F)cc(F)c1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179624046 1429476146 /nfs/dbraw/zinc/47/61/46/1429476146.db2.gz HSWOJTJEADWLMB-UHFFFAOYSA-N 0 1 394.328 3.076 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000179616437 1429472296 /nfs/dbraw/zinc/47/22/96/1429472296.db2.gz ZSSCQPDVCWRSRS-GHMZBOCLSA-N 0 1 390.390 3.135 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)cc1OC ZINC000179617825 1429473036 /nfs/dbraw/zinc/47/30/36/1429473036.db2.gz ZTSJPPFGQYUYQC-YJBOKZPZSA-N 0 1 384.476 3.303 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3cccnc3Cl)[nH]c2c1 ZINC000179617759 1429473115 /nfs/dbraw/zinc/47/31/15/1429473115.db2.gz IDCWQUTUNZCREA-HNNXBMFYSA-N 0 1 383.839 3.222 20 0 GGADMN COc1ccc(-c2nc(NC(=O)CN(C)CC3CCOCC3)sc2C)cc1 ZINC000179627639 1429477617 /nfs/dbraw/zinc/47/76/17/1429477617.db2.gz ISALTKNLUIRTFP-UHFFFAOYSA-N 0 1 389.521 3.424 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179628811 1429478190 /nfs/dbraw/zinc/47/81/90/1429478190.db2.gz GXRMADAFUXYSEL-INIZCTEOSA-N 0 1 386.492 3.126 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc2c(c1)CC(=O)N2C ZINC000824546447 1429478600 /nfs/dbraw/zinc/47/86/00/1429478600.db2.gz JBIMCMADISBHMS-ORAYPTAESA-N 0 1 388.475 3.114 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2nnc(C(C)(C)C)s2)cc1OC ZINC000179629295 1429479366 /nfs/dbraw/zinc/47/93/66/1429479366.db2.gz YMYUACNPSCJQJB-LBPRGKRZSA-N 0 1 392.525 3.451 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820913986 1429479857 /nfs/dbraw/zinc/47/98/57/1429479857.db2.gz MAFYJKKJNLVUBV-GOSISDBHSA-N 0 1 389.463 3.370 20 0 GGADMN O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000179635395 1429482555 /nfs/dbraw/zinc/48/25/55/1429482555.db2.gz AXXIWABGFJOFCS-OAHLLOKOSA-N 0 1 398.850 3.309 20 0 GGADMN O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000179635409 1429482560 /nfs/dbraw/zinc/48/25/60/1429482560.db2.gz AXXIWABGFJOFCS-HNNXBMFYSA-N 0 1 398.850 3.309 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000179636798 1429483142 /nfs/dbraw/zinc/48/31/42/1429483142.db2.gz XGDBVOVUMFVIKJ-MRXNPFEDSA-N 0 1 386.492 3.378 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179637301 1429483272 /nfs/dbraw/zinc/48/32/72/1429483272.db2.gz QQXAKAXKRIWQHG-QGZVFWFLSA-N 0 1 394.519 3.046 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000179636422 1429483399 /nfs/dbraw/zinc/48/33/99/1429483399.db2.gz UUQCULUENOFIEF-QGZVFWFLSA-N 0 1 391.519 3.142 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)NCCc2ccccc2)ccc1OC(F)F ZINC000179643019 1429486214 /nfs/dbraw/zinc/48/62/14/1429486214.db2.gz WQHVUPZWMIUDIA-CQSZACIVSA-N 0 1 378.419 3.306 20 0 GGADMN C[C@@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000824590790 1429487628 /nfs/dbraw/zinc/48/76/28/1429487628.db2.gz DEWPZJCOTCMWKG-MRXNPFEDSA-N 0 1 389.463 3.172 20 0 GGADMN CCc1cccc(NC(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000179647484 1429488602 /nfs/dbraw/zinc/48/86/02/1429488602.db2.gz NZMNNMXHSIBUDA-INIZCTEOSA-N 0 1 395.503 3.196 20 0 GGADMN CCOCc1cc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1OC ZINC000179650762 1429490081 /nfs/dbraw/zinc/49/00/81/1429490081.db2.gz XJCKBNIALFFTLM-HNNXBMFYSA-N 0 1 392.521 3.072 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCC(C)(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179655463 1429492292 /nfs/dbraw/zinc/49/22/92/1429492292.db2.gz NLHAKDSILBAYKG-RHSMWYFYSA-N 0 1 383.895 3.028 20 0 GGADMN CN1CC[C@H](CNC(=O)NCC(C)(C)CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179656502 1429493416 /nfs/dbraw/zinc/49/34/16/1429493416.db2.gz KMMSUTDFARQZMR-RHSMWYFYSA-N 0 1 385.911 3.180 20 0 GGADMN Cc1ccc2nc(CN[C@H](C)c3ccc(OCC(=O)NC4CC4)cc3)cn2c1 ZINC000179658436 1429494194 /nfs/dbraw/zinc/49/41/94/1429494194.db2.gz ZJTRYHWLUKWNDF-MRXNPFEDSA-N 0 1 378.476 3.151 20 0 GGADMN CCOc1cc(CN2CCSC[C@H]2C)ccc1OCC(=O)N1CCCCC1 ZINC000179663905 1429497146 /nfs/dbraw/zinc/49/71/46/1429497146.db2.gz KSNALDBWDYBARO-QGZVFWFLSA-N 0 1 392.565 3.414 20 0 GGADMN CCOc1cc(CN2CCSC[C@@H]2C)ccc1OCC(=O)N1CCCCC1 ZINC000179663890 1429497274 /nfs/dbraw/zinc/49/72/74/1429497274.db2.gz KSNALDBWDYBARO-KRWDZBQOSA-N 0 1 392.565 3.414 20 0 GGADMN NC(=O)CSc1ccccc1NC(=O)CNC1(c2cccc(Cl)c2)CC1 ZINC000179668002 1429498588 /nfs/dbraw/zinc/49/85/88/1429498588.db2.gz FLPNILGIDLICCR-UHFFFAOYSA-N 0 1 389.908 3.135 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cn(C)c(=O)cc2C)CCN1Cc1ccccc1 ZINC000179669917 1429499206 /nfs/dbraw/zinc/49/92/06/1429499206.db2.gz IPWAWFXMBOGEDY-LJQANCHMSA-N 0 1 382.508 3.212 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000179669628 1429499258 /nfs/dbraw/zinc/49/92/58/1429499258.db2.gz BKCPSLWNKIJQLY-INIZCTEOSA-N 0 1 383.492 3.465 20 0 GGADMN Cc1cc(Cl)cc(C)c1C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826267360 1429499322 /nfs/dbraw/zinc/49/93/22/1429499322.db2.gz BVJXPOJYYGECLM-UHFFFAOYSA-N 0 1 397.914 3.291 20 0 GGADMN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179671750 1429500652 /nfs/dbraw/zinc/50/06/52/1429500652.db2.gz XKSVEMKLRSGFRX-LLVKDONJSA-N 0 1 389.843 3.476 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000179673528 1429501303 /nfs/dbraw/zinc/50/13/03/1429501303.db2.gz KEOJLPCYTIAZNP-RTBURBONSA-N 0 1 382.932 3.017 20 0 GGADMN CC(C)Oc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000179674981 1429502467 /nfs/dbraw/zinc/50/24/67/1429502467.db2.gz CRYKLEDYXJUEMF-STQMWFEESA-N 0 1 375.494 3.312 20 0 GGADMN CCC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CCN1CCOC ZINC000179676545 1429502715 /nfs/dbraw/zinc/50/27/15/1429502715.db2.gz FITHBQIKKIXHCG-WMZOPIPTSA-N 0 1 381.948 3.408 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)NC(=O)NCc2cccs2)c1 ZINC000179676514 1429502774 /nfs/dbraw/zinc/50/27/74/1429502774.db2.gz SOFWFXWHGRUSEY-CQSZACIVSA-N 0 1 375.494 3.212 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NCC(=O)NC(=O)NCc2cccs2)c1 ZINC000179676525 1429503049 /nfs/dbraw/zinc/50/30/49/1429503049.db2.gz SOFWFXWHGRUSEY-AWEZNQCLSA-N 0 1 375.494 3.212 20 0 GGADMN O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000826456015 1429503376 /nfs/dbraw/zinc/50/33/76/1429503376.db2.gz MVKADLOASNCUCY-UHFFFAOYSA-N 0 1 382.512 3.488 20 0 GGADMN COc1cc2c(cc1OC)CN(C(=O)CNC1(c3cccc(F)c3)CC1)CC2 ZINC000179680445 1429504607 /nfs/dbraw/zinc/50/46/07/1429504607.db2.gz NHPFDFSEIPQBBZ-UHFFFAOYSA-N 0 1 384.451 3.007 20 0 GGADMN C[C@@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(OCc2ccccn2)c1 ZINC000179685764 1429506659 /nfs/dbraw/zinc/50/66/59/1429506659.db2.gz YOYBFAKGEWBKGQ-CQSZACIVSA-N 0 1 381.398 3.332 20 0 GGADMN CCOCCCNC(=O)C1CCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179686389 1429506857 /nfs/dbraw/zinc/50/68/57/1429506857.db2.gz VPGRPJMOWVLOLI-UHFFFAOYSA-N 0 1 390.553 3.028 20 0 GGADMN O=C(NC[C@@H]1CCc2ccccc21)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179686478 1429506924 /nfs/dbraw/zinc/50/69/24/1429506924.db2.gz UXAXDZXZNZDQRE-LBPRGKRZSA-N 0 1 384.386 3.285 20 0 GGADMN COc1ccc([C@@H](NCCS(=O)(=O)c2cccc(OC)c2)C2CC2)cc1 ZINC000179685858 1429506949 /nfs/dbraw/zinc/50/69/49/1429506949.db2.gz WCSQDAYIQHCEIK-FQEVSTJZSA-N 0 1 375.490 3.218 20 0 GGADMN C[C@H](CC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)NC(=O)OC(C)(C)C ZINC000824402305 1429507351 /nfs/dbraw/zinc/50/73/51/1429507351.db2.gz VOBLNUKGSOFTFC-CXAGYDPISA-N 0 1 386.500 3.137 20 0 GGADMN CCNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000179699053 1429512078 /nfs/dbraw/zinc/51/20/78/1429512078.db2.gz NZEPSULARUAXPR-INIZCTEOSA-N 0 1 396.495 3.152 20 0 GGADMN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2cccnc12 ZINC000179700870 1429512712 /nfs/dbraw/zinc/51/27/12/1429512712.db2.gz FWMGNITZCPQIAV-HNNXBMFYSA-N 0 1 397.504 3.107 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2nccs2)ccc1OCc1ccncc1 ZINC000179699754 1429512913 /nfs/dbraw/zinc/51/29/13/1429512913.db2.gz BAMUPAHKOXELPV-AWEZNQCLSA-N 0 1 398.488 3.415 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N[C@H](C)C(C)C)ccc1OCc1ccncc1 ZINC000179702702 1429513847 /nfs/dbraw/zinc/51/38/47/1429513847.db2.gz SOPCLKYOUPIRHN-SJORKVTESA-N 0 1 385.508 3.481 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N[C@@H](C)C(C)C)ccc1OCc1ccncc1 ZINC000179702716 1429513897 /nfs/dbraw/zinc/51/38/97/1429513897.db2.gz SOPCLKYOUPIRHN-IRXDYDNUSA-N 0 1 385.508 3.481 20 0 GGADMN Cc1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc(C)c1F ZINC000179702918 1429514752 /nfs/dbraw/zinc/51/47/52/1429514752.db2.gz PAFVLSUCSILAIP-AWEZNQCLSA-N 0 1 378.473 3.006 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N2CCCCC2)ccc1OCc1ccncc1 ZINC000179704753 1429515094 /nfs/dbraw/zinc/51/50/94/1429515094.db2.gz SFZZKVUWWDDFTG-KRWDZBQOSA-N 0 1 383.492 3.332 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179705110 1429515112 /nfs/dbraw/zinc/51/51/12/1429515112.db2.gz GTJQAVJNLLIJQN-MRXNPFEDSA-N 0 1 396.495 3.104 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1ccc(F)c(F)c1 ZINC000179713291 1429518260 /nfs/dbraw/zinc/51/82/60/1429518260.db2.gz FWEAREFWFSVCPM-JKSUJKDBSA-N 0 1 383.464 3.316 20 0 GGADMN COC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(F)c(F)c1 ZINC000179713136 1429518571 /nfs/dbraw/zinc/51/85/71/1429518571.db2.gz YKMHFRWYOOZRQU-ROUUACIJSA-N 0 1 393.434 3.382 20 0 GGADMN COC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(F)c(F)c1 ZINC000179713155 1429518651 /nfs/dbraw/zinc/51/86/51/1429518651.db2.gz YKMHFRWYOOZRQU-ZWKOTPCHSA-N 0 1 393.434 3.382 20 0 GGADMN CC[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccccc1OC(F)F ZINC000179721288 1429522036 /nfs/dbraw/zinc/52/20/36/1429522036.db2.gz VFNIMICHYVPRFE-AWEZNQCLSA-N 0 1 397.447 3.416 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000820413695 1429517113 /nfs/dbraw/zinc/51/71/13/1429517113.db2.gz UIROPUKYEKUESX-UONOGXRCSA-N 0 1 378.436 3.235 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2nncs2)ccc1OCc1ccccc1 ZINC000179710488 1429517114 /nfs/dbraw/zinc/51/71/14/1429517114.db2.gz IYWZQEFTQSGIQJ-AWEZNQCLSA-N 0 1 398.488 3.415 20 0 GGADMN O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179720966 1429522119 /nfs/dbraw/zinc/52/21/19/1429522119.db2.gz VUQIGAZWSGISSJ-UHFFFAOYSA-N 0 1 383.879 3.414 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000179720745 1429522131 /nfs/dbraw/zinc/52/21/31/1429522131.db2.gz OBWTZGSCPQCRRX-SFHVURJKSA-N 0 1 394.302 3.203 20 0 GGADMN COCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179723356 1429522705 /nfs/dbraw/zinc/52/27/05/1429522705.db2.gz BSMXCCCMYVPEHT-MRXNPFEDSA-N 0 1 399.495 3.427 20 0 GGADMN CC[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1OC(F)F ZINC000179723765 1429522820 /nfs/dbraw/zinc/52/28/20/1429522820.db2.gz VCRQFUDDXVLSNA-AWEZNQCLSA-N 0 1 377.391 3.066 20 0 GGADMN C[C@@H]([NH2+]C1(CNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1)c1ccccc1 ZINC000736132503 1429523650 /nfs/dbraw/zinc/52/36/50/1429523650.db2.gz OUBJFVLKNIQMLB-MRXNPFEDSA-N 0 1 390.491 3.260 20 0 GGADMN CS[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000179725851 1429523933 /nfs/dbraw/zinc/52/39/33/1429523933.db2.gz BNWRSOAKMMERSR-ONGXEEELSA-N 0 1 382.436 3.229 20 0 GGADMN CC[C@@H](N[C@@H](C)C(=O)NC1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000179726188 1429524089 /nfs/dbraw/zinc/52/40/89/1429524089.db2.gz HOHJIZLAGIIOCT-QFBILLFUSA-N 0 1 389.540 3.032 20 0 GGADMN O=C(Nc1ccn(Cc2ccccc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179725556 1429524221 /nfs/dbraw/zinc/52/42/21/1429524221.db2.gz XSZOESUXHUAXNK-KRWDZBQOSA-N 0 1 391.479 3.338 20 0 GGADMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000179733300 1429527673 /nfs/dbraw/zinc/52/76/73/1429527673.db2.gz FRWYEKYBTXBQNT-IBGZPJMESA-N 0 1 383.492 3.467 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C)c1 ZINC000179726295 1429525170 /nfs/dbraw/zinc/52/51/70/1429525170.db2.gz SDVAGXZBDRWVBO-MRXNPFEDSA-N 0 1 396.495 3.152 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179729170 1429525469 /nfs/dbraw/zinc/52/54/69/1429525469.db2.gz IDLQDCXCLPTZEU-INIZCTEOSA-N 0 1 396.495 3.233 20 0 GGADMN CN(CC1(O)CCCC1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000152304619 1422067624 /nfs/dbraw/zinc/06/76/24/1422067624.db2.gz KXLAIWWJTJNKPJ-NRFANRHFSA-N 0 1 396.487 3.010 20 0 GGADMN CC[C@@H](NCc1ncc(C)c(OC)c1C)c1ccccc1OCC(=O)N(C)C ZINC000179728344 1429525849 /nfs/dbraw/zinc/52/58/49/1429525849.db2.gz AAZWVEDQZXAVRE-GOSISDBHSA-N 0 1 385.508 3.415 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1 ZINC000152318681 1422070797 /nfs/dbraw/zinc/07/07/97/1422070797.db2.gz UDBYHSXNGUFLJU-OAQYLSRUSA-N 0 1 395.503 3.012 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c1 ZINC000152318600 1422071042 /nfs/dbraw/zinc/07/10/42/1422071042.db2.gz UDBYHSXNGUFLJU-NRFANRHFSA-N 0 1 395.503 3.012 20 0 GGADMN Cc1cc(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)[nH]n1 ZINC000152328947 1422073964 /nfs/dbraw/zinc/07/39/64/1422073964.db2.gz MGMUEMMPTZCRIZ-UHFFFAOYSA-N 0 1 380.414 3.014 20 0 GGADMN COc1c(F)cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1F ZINC000179730472 1429526285 /nfs/dbraw/zinc/52/62/85/1429526285.db2.gz XXEYAOIESCISDE-LLVKDONJSA-N 0 1 377.395 3.380 20 0 GGADMN CC(C)(C)c1nnc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1 ZINC000179731504 1429527083 /nfs/dbraw/zinc/52/70/83/1429527083.db2.gz STXJMNFSBQONPY-NSHDSACASA-N 0 1 375.502 3.243 20 0 GGADMN O=C(Nc1ccc(F)cc1OCC1CC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000152368960 1422085402 /nfs/dbraw/zinc/08/54/02/1422085402.db2.gz KMYPBHZVYYFWHQ-QGZVFWFLSA-N 0 1 391.487 3.191 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000179733315 1429527921 /nfs/dbraw/zinc/52/79/21/1429527921.db2.gz FRWYEKYBTXBQNT-LJQANCHMSA-N 0 1 383.492 3.467 20 0 GGADMN CC(C)Oc1cccc(CN(C)C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000152381845 1422088541 /nfs/dbraw/zinc/08/85/41/1422088541.db2.gz LLXZECMXASTFKP-UHFFFAOYSA-N 0 1 397.500 3.131 20 0 GGADMN O=C(CCN1CCO[C@H]([C@@H]2CCCO2)C1)NC(c1ccccc1)c1ccccc1 ZINC000152382921 1422088588 /nfs/dbraw/zinc/08/85/88/1422088588.db2.gz BEJQBERDTSXPPX-VXKWHMMOSA-N 0 1 394.515 3.162 20 0 GGADMN C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000152418815 1422098118 /nfs/dbraw/zinc/09/81/18/1422098118.db2.gz LNZGJADBSPLSEI-CYBMUJFWSA-N 0 1 389.496 3.353 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)CC1(O)CCCC1 ZINC000152441691 1422104029 /nfs/dbraw/zinc/10/40/29/1422104029.db2.gz RWJSZVBGBMVGOQ-INIZCTEOSA-N 0 1 387.505 3.256 20 0 GGADMN Cc1cc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)ccc1C(=O)N(C)C ZINC000152448120 1422106255 /nfs/dbraw/zinc/10/62/55/1422106255.db2.gz SJSPOOYALIZAAV-KRWDZBQOSA-N 0 1 394.519 3.265 20 0 GGADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)N(C)C)c1 ZINC000152458666 1422109067 /nfs/dbraw/zinc/10/90/67/1422109067.db2.gz IFJAXMVFTOJWAX-HXUWFJFHSA-N 0 1 398.507 3.130 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000179739875 1429531533 /nfs/dbraw/zinc/53/15/33/1429531533.db2.gz NCGXZJVFTFHSOA-HNNXBMFYSA-N 0 1 378.375 3.050 20 0 GGADMN CC(=O)c1cccc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179742426 1429532473 /nfs/dbraw/zinc/53/24/73/1429532473.db2.gz MCQBJHVVEQESJK-JOCHJYFZSA-N 0 1 380.444 3.340 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1C(=O)N(C)C ZINC000152531607 1422132962 /nfs/dbraw/zinc/13/29/62/1422132962.db2.gz BZJCTDAKGPUSPL-FQEVSTJZSA-N 0 1 394.519 3.483 20 0 GGADMN CCC(CC)(CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C(=O)OC ZINC000152536869 1422135315 /nfs/dbraw/zinc/13/53/15/1422135315.db2.gz KXPRDUUVZRYARO-UHFFFAOYSA-N 0 1 393.503 3.069 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179744538 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COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)cc1C ZINC000152621936 1422172660 /nfs/dbraw/zinc/17/26/60/1422172660.db2.gz HZAJPVNRRXZYIL-UHFFFAOYSA-N 0 1 375.425 3.438 20 0 GGADMN CCCN(CC(=O)Nc1cc(C)no1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152630698 1422177446 /nfs/dbraw/zinc/17/74/46/1422177446.db2.gz JYYGWLXMKGHKFU-UHFFFAOYSA-N 0 1 380.489 3.033 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737546606 1429536057 /nfs/dbraw/zinc/53/60/57/1429536057.db2.gz DMEQCNYQOBVGSK-RVSPLBMKSA-N 0 1 394.479 3.282 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1C[C@@H]2CCC[C@@H]2C1 ZINC000152654896 1422191477 /nfs/dbraw/zinc/19/14/77/1422191477.db2.gz IUUNQZHRLDEKMR-UPJWGTAASA-N 0 1 381.398 3.111 20 0 GGADMN COC(=O)c1coc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000152681256 1422206292 /nfs/dbraw/zinc/20/62/92/1422206292.db2.gz FDKYEFZYTIPFRP-UHFFFAOYSA-N 0 1 396.487 3.469 20 0 GGADMN COC(=O)c1cc(CN(C)C[C@H](O)c2ccccc2Br)oc1C ZINC000152686385 1422208407 /nfs/dbraw/zinc/20/84/07/1422208407.db2.gz CFYWKIDFQCHPHE-INIZCTEOSA-N 0 1 382.254 3.303 20 0 GGADMN NC(=O)c1cccc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000152685041 1422208898 /nfs/dbraw/zinc/20/88/98/1422208898.db2.gz ZADHNJXMNRSODQ-UHFFFAOYSA-N 0 1 391.515 3.189 20 0 GGADMN C[C@@H](C(=O)NC1CCCC1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000152688243 1422209611 /nfs/dbraw/zinc/20/96/11/1422209611.db2.gz WEDFKSPNBTUZGA-SFHVURJKSA-N 0 1 397.563 3.337 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN[C@@H](C)c3cnn(C)c3)cc2OC)o1 ZINC000152688487 1422209709 /nfs/dbraw/zinc/20/97/09/1422209709.db2.gz CJCLOOJTIQMYPA-AWEZNQCLSA-N 0 1 399.447 3.238 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3ccc(OC4CCOCC4)cc3)cc2)CC1 ZINC000152689430 1422210967 /nfs/dbraw/zinc/21/09/67/1422210967.db2.gz BMLPBVVKACMEPL-UHFFFAOYSA-N 0 1 395.503 3.249 20 0 GGADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cnn(-c2ccc(F)cc2)n1 ZINC000152700301 1422214851 /nfs/dbraw/zinc/21/48/51/1422214851.db2.gz CNRRJZXEZCWWQG-SFHVURJKSA-N 0 1 392.394 3.387 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@@H](C)CSC)CC1 ZINC000152716864 1422221842 /nfs/dbraw/zinc/22/18/42/1422221842.db2.gz WHPBOQLBHRBLLW-LSDHHAIUSA-N 0 1 382.549 3.079 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000152722158 1422224217 /nfs/dbraw/zinc/22/42/17/1422224217.db2.gz XESBRLFNYUTGJP-QGZVFWFLSA-N 0 1 393.578 3.465 20 0 GGADMN CCc1nc2c(s1)[C@H](N(C)Cc1cccc(S(=O)(=O)N(C)C)c1)CCC2 ZINC000152722158 1422224238 /nfs/dbraw/zinc/22/42/38/1422224238.db2.gz XESBRLFNYUTGJP-QGZVFWFLSA-N 0 1 393.578 3.465 20 0 GGADMN Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)n1 ZINC000152721067 1422224341 /nfs/dbraw/zinc/22/43/41/1422224341.db2.gz YVHYTGLKAWCPEF-RDJZCZTQSA-N 0 1 399.564 3.130 20 0 GGADMN Cn1ccc(N2CCC[C@H](N3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)n1 ZINC000152721067 1422224360 /nfs/dbraw/zinc/22/43/60/1422224360.db2.gz YVHYTGLKAWCPEF-RDJZCZTQSA-N 0 1 399.564 3.130 20 0 GGADMN CCOc1ccccc1[C@H](CC)N[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000179745095 1429534019 /nfs/dbraw/zinc/53/40/19/1429534019.db2.gz JPCNFGDAAUDFHE-WFASDCNBSA-N 0 1 375.494 3.314 20 0 GGADMN C[C@@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC000152724910 1422225769 /nfs/dbraw/zinc/22/57/69/1422225769.db2.gz VLKGQSLLDAAGBC-CZUORRHYSA-N 0 1 394.393 3.312 20 0 GGADMN COc1ccc(C(=O)CCC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1F ZINC000152728625 1422226525 /nfs/dbraw/zinc/22/65/25/1422226525.db2.gz HTLPPVFALQWWQV-JXFKEZNVSA-N 0 1 398.478 3.434 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC2 ZINC000152729707 1422227971 /nfs/dbraw/zinc/22/79/71/1422227971.db2.gz VFYGPBRVODVPDN-FCHUYYIVSA-N 0 1 399.510 3.252 20 0 GGADMN CC(C)n1cnnc1C1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000152743276 1422233399 /nfs/dbraw/zinc/23/33/99/1422233399.db2.gz ZPGBHKVHYNLUCJ-UHFFFAOYSA-N 0 1 382.443 3.408 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)n[nH]2)c1 ZINC000152751119 1422235728 /nfs/dbraw/zinc/23/57/28/1422235728.db2.gz PVAYDDURZUNLMP-UHFFFAOYSA-N 0 1 378.432 3.104 20 0 GGADMN CCOC(=O)c1oc2ccccc2c1CN1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000152760141 1422238814 /nfs/dbraw/zinc/23/88/14/1422238814.db2.gz FBOAZNZMOBFWSE-RTBURBONSA-N 0 1 387.476 3.361 20 0 GGADMN CCOC(=O)c1oc2ccccc2c1CN1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000152760033 1422239261 /nfs/dbraw/zinc/23/92/61/1422239261.db2.gz FBOAZNZMOBFWSE-OALUTQOASA-N 0 1 387.476 3.361 20 0 GGADMN CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736525076 1429541153 /nfs/dbraw/zinc/54/11/53/1429541153.db2.gz ZGALVVIYCKBMOQ-BEFAXECRSA-N 0 1 378.480 3.127 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 ZINC000152769450 1422241830 /nfs/dbraw/zinc/24/18/30/1422241830.db2.gz MZHWUJZABSYDOX-UHFFFAOYSA-N 0 1 397.442 3.175 20 0 GGADMN COc1ccccc1COC1CCN(CC(=O)NCc2cccc(C)c2)CC1 ZINC000179754867 1429541379 /nfs/dbraw/zinc/54/13/79/1429541379.db2.gz YAXVNYNDACYWOH-UHFFFAOYSA-N 0 1 382.504 3.301 20 0 GGADMN O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cccc2c[nH]nc21 ZINC000152778164 1422245121 /nfs/dbraw/zinc/24/51/21/1422245121.db2.gz JPPSWGJPFUKPOA-UHFFFAOYSA-N 0 1 383.415 3.246 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820412855 1429541749 /nfs/dbraw/zinc/54/17/49/1429541749.db2.gz MWZMEFSRZHWOQY-KGLIPLIRSA-N 0 1 378.436 3.235 20 0 GGADMN CCOC(=O)c1cnc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(Cl)c1 ZINC000152785661 1422247925 /nfs/dbraw/zinc/24/79/25/1422247925.db2.gz LRWDLTGTBQGDMG-MRXNPFEDSA-N 0 1 393.846 3.084 20 0 GGADMN CCOc1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1F ZINC000152792201 1422250318 /nfs/dbraw/zinc/25/03/18/1422250318.db2.gz SZXCAXPCFUTCIJ-ZDUSSCGKSA-N 0 1 381.469 3.487 20 0 GGADMN C[C@H](O)C[C@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000152800058 1422252240 /nfs/dbraw/zinc/25/22/40/1422252240.db2.gz NTPAGVPJNLKTKN-UXLLHSPISA-N 0 1 387.505 3.254 20 0 GGADMN O=C1[C@H](N2CC[C@H]3OCCC[C@@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000152798856 1422252629 /nfs/dbraw/zinc/25/26/29/1422252629.db2.gz SZZVIOPALAVUFZ-KBRIMQKVSA-N 0 1 384.398 3.191 20 0 GGADMN C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000152801918 1422253472 /nfs/dbraw/zinc/25/34/72/1422253472.db2.gz DCECJRZUTNYYPQ-UYAOXDASSA-N 0 1 389.540 3.082 20 0 GGADMN COc1cccc([C@H](CNC(=O)Nc2cccc(N(C)C)n2)N2CCCC2)c1 ZINC000152802362 1422253492 /nfs/dbraw/zinc/25/34/92/1422253492.db2.gz NJUGDUVGKPLXLN-SFHVURJKSA-N 0 1 383.496 3.115 20 0 GGADMN C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC1(C)OCCO1 ZINC000152802033 1422253535 /nfs/dbraw/zinc/25/35/35/1422253535.db2.gz DCECJRZUTNYYPQ-ICSRJNTNSA-N 0 1 389.540 3.082 20 0 GGADMN COc1cc(Br)c(S(=O)(=O)Nc2ccc(F)nc2)cc1Cl ZINC000152815029 1422259177 /nfs/dbraw/zinc/25/91/77/1422259177.db2.gz GPJCKWMSNKVJQZ-UHFFFAOYSA-N 0 1 395.637 3.446 20 0 GGADMN Cc1cc(C)n(CCCNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000152845064 1422268684 /nfs/dbraw/zinc/26/86/84/1422268684.db2.gz GMMUYCVEBQYAQV-HXUWFJFHSA-N 0 1 383.540 3.196 20 0 GGADMN C[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000179758551 1429543711 /nfs/dbraw/zinc/54/37/11/1429543711.db2.gz VEGWZNYIJHMNEY-YWZLYKJASA-N 0 1 393.487 3.326 20 0 GGADMN O=C(NC[C@H](O)c1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000152859876 1422274118 /nfs/dbraw/zinc/27/41/18/1422274118.db2.gz MCBAEPXZQJOBLI-ROUUACIJSA-N 0 1 391.899 3.493 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000152859595 1422274315 /nfs/dbraw/zinc/27/43/15/1422274315.db2.gz QMNCVGQEQNUFJN-UHFFFAOYSA-N 0 1 397.866 3.143 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N(CC)c1cccc3ccccc31)CC2 ZINC000152865002 1422275920 /nfs/dbraw/zinc/27/59/20/1422275920.db2.gz OECFWUKSQMRQEA-FCHUYYIVSA-N 0 1 396.531 3.445 20 0 GGADMN CCO[C@H]1C[C@H](O)C12CCN(CC(=O)N(CC)c1cccc3ccccc31)CC2 ZINC000152864771 1422276127 /nfs/dbraw/zinc/27/61/27/1422276127.db2.gz OECFWUKSQMRQEA-VXKWHMMOSA-N 0 1 396.531 3.445 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000152865956 1422276575 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20 0 GGADMN CC[C@H](NCc1nc2ccccc2n1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153632435 1422660357 /nfs/dbraw/zinc/66/03/57/1422660357.db2.gz ZJCKTDYMSDJGGX-SIKLNZKXSA-N 0 1 378.520 3.343 20 0 GGADMN CC[C@@H](NCc1nc2ccccc2n1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153632337 1422660586 /nfs/dbraw/zinc/66/05/86/1422660586.db2.gz ZJCKTDYMSDJGGX-KNQAVFIVSA-N 0 1 378.520 3.343 20 0 GGADMN CC[C@@H](NCc1nc2ccccc2n1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153632543 1422660915 /nfs/dbraw/zinc/66/09/15/1422660915.db2.gz ZJCKTDYMSDJGGX-DENIHFKCSA-N 0 1 378.520 3.343 20 0 GGADMN C[C@H](NCCNC(=O)CC1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000153670332 1422694104 /nfs/dbraw/zinc/69/41/04/1422694104.db2.gz GHKPHZAGONTLCX-AWEZNQCLSA-N 0 1 375.904 3.268 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NC[C@]2(C)CCCO2)N2CCCCC2)cc1 ZINC000153683580 1422701114 /nfs/dbraw/zinc/70/11/14/1422701114.db2.gz XECXIPQGCJFYCD-CTNGQTDRSA-N 0 1 375.513 3.091 20 0 GGADMN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000153691864 1422705638 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CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC000153772142 1422747922 /nfs/dbraw/zinc/74/79/22/1422747922.db2.gz MXKOEPYGVIGCBU-OAQYLSRUSA-N 0 1 384.520 3.252 20 0 GGADMN Cc1c(NC(=O)CCN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000153775416 1422750350 /nfs/dbraw/zinc/75/03/50/1422750350.db2.gz MMZMVTSBADXXGQ-UHFFFAOYSA-N 0 1 389.503 3.332 20 0 GGADMN CN(Cc1cnn(C)c1)C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000179808989 1429583003 /nfs/dbraw/zinc/58/30/03/1429583003.db2.gz OFLLCDRTJNMEBO-NRFANRHFSA-N 0 1 380.467 3.091 20 0 GGADMN CC(C)c1c(C(=O)N2C[C@@H](C)N[C@H](C)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000153793152 1422760535 /nfs/dbraw/zinc/76/05/35/1422760535.db2.gz HDTXMCNVCIYXLA-CHWSQXEVSA-N 0 1 395.429 3.232 20 0 GGADMN CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CCS1 ZINC000179809917 1429583910 /nfs/dbraw/zinc/58/39/10/1429583910.db2.gz LBYXHWHXDBEIJK-ZDUSSCGKSA-N 0 1 382.436 3.039 20 0 GGADMN Cc1cccc([C@H](C)NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1C ZINC000153800015 1422765019 /nfs/dbraw/zinc/76/50/19/1422765019.db2.gz BJLAYCCRJDGHKU-TYPHKJRUSA-N 0 1 381.520 3.299 20 0 GGADMN O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179811373 1429584400 /nfs/dbraw/zinc/58/44/00/1429584400.db2.gz VXHLRZOHLRZJSB-QGZVFWFLSA-N 0 1 391.479 3.338 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179811557 1429584546 /nfs/dbraw/zinc/58/45/46/1429584546.db2.gz IWVBCACBHQLTNO-HNNXBMFYSA-N 0 1 377.452 3.279 20 0 GGADMN NC(=O)N[C@H](CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccs1 ZINC000153807092 1422769353 /nfs/dbraw/zinc/76/93/53/1422769353.db2.gz CXHRYTNZBNVUCH-LLVKDONJSA-N 0 1 397.382 3.381 20 0 GGADMN CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(-c4ncco4)cc3)CC2)CC1 ZINC000153810578 1422772482 /nfs/dbraw/zinc/77/24/82/1422772482.db2.gz GMSBKXQRWDGHSG-UHFFFAOYSA-N 0 1 396.491 3.003 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000153820525 1422778825 /nfs/dbraw/zinc/77/88/25/1422778825.db2.gz OKSYHEBKDYTUFS-NHCUHLMSSA-N 0 1 397.519 3.498 20 0 GGADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000153819660 1422779417 /nfs/dbraw/zinc/77/94/17/1422779417.db2.gz NIYQHFJRPCXMNZ-INIZCTEOSA-N 0 1 380.414 3.303 20 0 GGADMN O=C(Nc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179811567 1429585796 /nfs/dbraw/zinc/58/57/96/1429585796.db2.gz IWVBCACBHQLTNO-OAHLLOKOSA-N 0 1 377.452 3.279 20 0 GGADMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000153827439 1422782818 /nfs/dbraw/zinc/78/28/18/1422782818.db2.gz VFMFZSZWYAYTGI-UHFFFAOYSA-N 0 1 389.521 3.031 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC000153829782 1422784610 /nfs/dbraw/zinc/78/46/10/1422784610.db2.gz ZGHWKFGRALXYAM-UHFFFAOYSA-N 0 1 399.476 3.266 20 0 GGADMN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C[C@H](C)N1 ZINC000153885079 1422805217 /nfs/dbraw/zinc/80/52/17/1422805217.db2.gz XVZFFUNMKTZBBH-PHIMTYICSA-N 0 1 386.805 3.367 20 0 GGADMN COC(=O)[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccc(Cl)c(F)c1 ZINC000153886823 1422805456 /nfs/dbraw/zinc/80/54/56/1422805456.db2.gz YLTNOJHFEINNQN-AWEZNQCLSA-N 0 1 379.750 3.139 20 0 GGADMN O=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)c1n[nH]c2ccccc21 ZINC000153891084 1422806390 /nfs/dbraw/zinc/80/63/90/1422806390.db2.gz OHORVFZHJNCTJJ-CYBMUJFWSA-N 0 1 393.365 3.043 20 0 GGADMN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000153907373 1422808690 /nfs/dbraw/zinc/80/86/90/1422808690.db2.gz RCHOKBILMWRHKB-DNVCBOLYSA-N 0 1 377.504 3.020 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CN2CCC(C)(c3ccccc3)CC2)cc1 ZINC000153909389 1422809110 /nfs/dbraw/zinc/80/91/10/1422809110.db2.gz ZWQKJQYQUOWYLA-UHFFFAOYSA-N 0 1 379.504 3.381 20 0 GGADMN CC(C)c1nc(C(=O)N(C)[C@H]2CCCN(C)C2)nn1-c1ccccc1Cl ZINC000153932111 1422813086 /nfs/dbraw/zinc/81/30/86/1422813086.db2.gz MSONCYZWFHYXQN-AWEZNQCLSA-N 0 1 375.904 3.210 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N(Cc3ccc(O)cc3)CC3CC3)cc2)CC1 ZINC000153955189 1422816625 /nfs/dbraw/zinc/81/66/25/1422816625.db2.gz PZPXCNCWIJYWRY-UHFFFAOYSA-N 0 1 393.531 3.192 20 0 GGADMN O=C(/C=C/C1CCOCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000153963050 1422818064 /nfs/dbraw/zinc/81/80/64/1422818064.db2.gz WETFVKYNEKRFHC-HNSSHINMSA-N 0 1 378.900 3.109 20 0 GGADMN O=C(/C=C/C1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000153963050 1422818068 /nfs/dbraw/zinc/81/80/68/1422818068.db2.gz WETFVKYNEKRFHC-HNSSHINMSA-N 0 1 378.900 3.109 20 0 GGADMN O=C(/C=C/C1CCOCC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000153963050 1422818071 /nfs/dbraw/zinc/81/80/71/1422818071.db2.gz WETFVKYNEKRFHC-HNSSHINMSA-N 0 1 378.900 3.109 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000153969179 1422818940 /nfs/dbraw/zinc/81/89/40/1422818940.db2.gz AYZPKRQWCWKEMF-MRXNPFEDSA-N 0 1 382.464 3.214 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccc2[nH]cnc21 ZINC000153982551 1422820604 /nfs/dbraw/zinc/82/06/04/1422820604.db2.gz BFGJMTXJARNPEF-OAHLLOKOSA-N 0 1 384.867 3.316 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N(CC)Cc2cccc(Cl)c2)CC1 ZINC000153987282 1422821409 /nfs/dbraw/zinc/82/14/09/1422821409.db2.gz WATQVMSDVBBDNV-OAHLLOKOSA-N 0 1 380.916 3.352 20 0 GGADMN Fc1cccnc1N1CC[C@@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000153988905 1422821525 /nfs/dbraw/zinc/82/15/25/1422821525.db2.gz LQRDUQYDHKGBAG-CQSZACIVSA-N 0 1 398.463 3.441 20 0 GGADMN CN(C)Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2)cc1F ZINC000153997522 1422823087 /nfs/dbraw/zinc/82/30/87/1422823087.db2.gz GMDQFERFPUEGKQ-UHFFFAOYSA-N 0 1 379.382 3.080 20 0 GGADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000154000620 1422823435 /nfs/dbraw/zinc/82/34/35/1422823435.db2.gz BSFRASLWGBRSDW-MJGOQNOKSA-N 0 1 394.604 3.223 20 0 GGADMN CS(=O)(=O)Nc1cccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)c1 ZINC000154002555 1422823944 /nfs/dbraw/zinc/82/39/44/1422823944.db2.gz OYPBHOZOCVMTII-UHFFFAOYSA-N 0 1 390.852 3.354 20 0 GGADMN Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000154004507 1422824209 /nfs/dbraw/zinc/82/42/09/1422824209.db2.gz AORVDNLOHMBSME-UHFFFAOYSA-N 0 1 377.847 3.104 20 0 GGADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NCCc2nc3ccccc3s2)C12CCC2 ZINC000154015661 1422825991 /nfs/dbraw/zinc/82/59/91/1422825991.db2.gz HKBUMNIFLXSOPK-QZTJIDSGSA-N 0 1 387.549 3.235 20 0 GGADMN CC(C)c1noc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000154017034 1422826193 /nfs/dbraw/zinc/82/61/93/1422826193.db2.gz TWCOKXMULPVELT-MRXNPFEDSA-N 0 1 392.887 3.179 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N(CCCCO)C1CC1 ZINC000154024926 1422827584 /nfs/dbraw/zinc/82/75/84/1422827584.db2.gz SJSAQCAKIAIONV-IBGZPJMESA-N 0 1 379.932 3.423 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCN(C)C[C@@H]3C(C)C)C2)c1 ZINC000154033521 1422829478 /nfs/dbraw/zinc/82/94/78/1422829478.db2.gz JJCCKNPFEJAQPT-UYAOXDASSA-N 0 1 386.540 3.038 20 0 GGADMN CCCCN(CCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000154044969 1422831090 /nfs/dbraw/zinc/83/10/90/1422831090.db2.gz NVCWZRUUVIMQSB-INIZCTEOSA-N 0 1 375.494 3.113 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000154052588 1422832153 /nfs/dbraw/zinc/83/21/53/1422832153.db2.gz VCUHANUCMBBQRG-RYUDHWBXSA-N 0 1 381.307 3.369 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000154051455 1422832234 /nfs/dbraw/zinc/83/22/34/1422832234.db2.gz LQZPFVZLFYLKCO-MRXNPFEDSA-N 0 1 376.888 3.121 20 0 GGADMN CCCCCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000154088303 1422838664 /nfs/dbraw/zinc/83/86/64/1422838664.db2.gz VGIBUYOBERAOHR-UHFFFAOYSA-N 0 1 398.244 3.443 20 0 GGADMN CC[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000154111067 1422842013 /nfs/dbraw/zinc/84/20/13/1422842013.db2.gz IALUYYXRCXDVNA-GOSISDBHSA-N 0 1 386.496 3.164 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000154114520 1422842633 /nfs/dbraw/zinc/84/26/33/1422842633.db2.gz DOPSNOZATPCFHT-LJQANCHMSA-N 0 1 393.572 3.060 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000154116486 1422842899 /nfs/dbraw/zinc/84/28/99/1422842899.db2.gz ARPAUORQRKPZIU-HNNXBMFYSA-N 0 1 387.505 3.095 20 0 GGADMN CCOc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1OCCOc1ccccc1 ZINC000154147379 1422846947 /nfs/dbraw/zinc/84/69/47/1422846947.db2.gz OGYCMEBKMNLVQW-QZTJIDSGSA-N 0 1 398.503 3.366 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1c(F)cccc1F ZINC000154176044 1422850898 /nfs/dbraw/zinc/85/08/98/1422850898.db2.gz LFHXOQLFQGNMCD-UHFFFAOYSA-N 0 1 389.446 3.297 20 0 GGADMN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C)n1C1CC1 ZINC000154195251 1422853101 /nfs/dbraw/zinc/85/31/01/1422853101.db2.gz FQPITARGBZDCOX-DENIHFKCSA-N 0 1 381.520 3.053 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(OC)cc2OC)cc1 ZINC000154205729 1422854787 /nfs/dbraw/zinc/85/47/87/1422854787.db2.gz ZFCXBMUNSIXGLG-ZIAGYGMSSA-N 0 1 378.494 3.024 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000154205514 1422854864 /nfs/dbraw/zinc/85/48/64/1422854864.db2.gz ZFCXBMUNSIXGLG-KGLIPLIRSA-N 0 1 378.494 3.024 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(F)c1Cl ZINC000154207128 1422855198 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GGADMN CCc1nc2ccccc2n1C1CCN(CN2C[C@@](C)(COC)CC2=O)CC1 ZINC000179873983 1429618161 /nfs/dbraw/zinc/61/81/61/1429618161.db2.gz BXRRIOQDOIRUMJ-QFIPXVFZSA-N 0 1 384.524 3.078 20 0 GGADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155099538 1423161648 /nfs/dbraw/zinc/16/16/48/1423161648.db2.gz WDBFNTJWYMWVBH-HOTGVXAUSA-N 0 1 377.529 3.273 20 0 GGADMN COc1cc(N[C@H]2CCCN([C@@H](C)C(=O)N3CCCCCC3)C2)cc(OC)c1 ZINC000155099912 1423161724 /nfs/dbraw/zinc/16/17/24/1423161724.db2.gz NMTXAPLJNNFTAQ-ROUUACIJSA-N 0 1 389.540 3.371 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000155110603 1423171785 /nfs/dbraw/zinc/17/17/85/1423171785.db2.gz QBJYPIYXYICKQH-NVXWUHKLSA-N 0 1 394.947 3.249 20 0 GGADMN C[C@H](NC(=O)CNC(C)(C)C(=O)NCC1CCCC1)c1ccc(Cl)cc1 ZINC000155125474 1423183605 /nfs/dbraw/zinc/18/36/05/1423183605.db2.gz INKMVMXYTVPCAK-AWEZNQCLSA-N 0 1 379.932 3.192 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000155127841 1423184791 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Cn1cnn(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1=S ZINC000155177253 1423213940 /nfs/dbraw/zinc/21/39/40/1423213940.db2.gz UKRXYYFAGBPPDU-UHFFFAOYSA-N 0 1 377.517 3.296 20 0 GGADMN CN(CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCSC1 ZINC000155177633 1423214856 /nfs/dbraw/zinc/21/48/56/1423214856.db2.gz UXEGKYOBHBADPY-LJQANCHMSA-N 0 1 394.544 3.138 20 0 GGADMN C[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C1(N2CCOCC2)CCCC1 ZINC000155179731 1423215840 /nfs/dbraw/zinc/21/58/40/1423215840.db2.gz MRWYKSXBSWPQQI-QGZVFWFLSA-N 0 1 383.492 3.034 20 0 GGADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCOc1cccc(S(C)(=O)=O)c1 ZINC000155180160 1423217899 /nfs/dbraw/zinc/21/78/99/1423217899.db2.gz GOECASAFDJSCMN-NVXWUHKLSA-N 0 1 377.481 3.486 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000155182349 1423221019 /nfs/dbraw/zinc/22/10/19/1423221019.db2.gz MTDNQYIYJXPZMB-UHFFFAOYSA-N 0 1 399.857 3.222 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000155189632 1423228057 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CCOCc1ccccc1CNC(=O)CN1CC[C@H](c2ccc(OC)cc2)C1 ZINC000155201134 1423240588 /nfs/dbraw/zinc/24/05/88/1423240588.db2.gz NVQMKTYVOVSQKZ-FQEVSTJZSA-N 0 1 382.504 3.337 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000155202286 1423241828 /nfs/dbraw/zinc/24/18/28/1423241828.db2.gz SPMGDPRCMORZMM-QGZVFWFLSA-N 0 1 382.430 3.158 20 0 GGADMN CCC(CC)(C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)SC ZINC000825090046 1429625709 /nfs/dbraw/zinc/62/57/09/1429625709.db2.gz QHKJTCQXPACJTG-UHFFFAOYSA-N 0 1 388.585 3.343 20 0 GGADMN CCOC(=O)c1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179888728 1429626259 /nfs/dbraw/zinc/62/62/59/1429626259.db2.gz NDDCYBUWVDIGLE-AWEZNQCLSA-N 0 1 383.452 3.270 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)c1ccco1 ZINC000179890083 1429626268 /nfs/dbraw/zinc/62/62/68/1429626268.db2.gz IEBQMONESLTOKU-AWEZNQCLSA-N 0 1 399.825 3.349 20 0 GGADMN COc1ccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)cc1-c1nnn[n-]1 ZINC000821818013 1429626485 /nfs/dbraw/zinc/62/64/85/1429626485.db2.gz HLZNCNSNCRHDPB-UHFFFAOYSA-N 0 1 376.420 3.129 20 0 GGADMN COc1ccc([C@H]2CCN([C@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)cc1 ZINC000155228186 1423259340 /nfs/dbraw/zinc/25/93/40/1423259340.db2.gz UHIIPCWAPAHRTC-ZBFHGGJFSA-N 0 1 385.439 3.360 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1-c1nnn[n-]1 ZINC000826194287 1423264701 /nfs/dbraw/zinc/26/47/01/1423264701.db2.gz HUNJPPIQELAZPJ-GOEBONIOSA-N 0 1 385.493 3.025 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1-c1nn[n-]n1 ZINC000826194287 1423264709 /nfs/dbraw/zinc/26/47/09/1423264709.db2.gz HUNJPPIQELAZPJ-GOEBONIOSA-N 0 1 385.493 3.025 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1-c1nn[n-]n1 ZINC000826194287 1423264714 /nfs/dbraw/zinc/26/47/14/1423264714.db2.gz HUNJPPIQELAZPJ-GOEBONIOSA-N 0 1 385.493 3.025 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)NCCc3cccc4cccnc43)C2)cc1 ZINC000155238317 1423266042 /nfs/dbraw/zinc/26/60/42/1423266042.db2.gz XPOJMQYCSHZRGD-NRFANRHFSA-N 0 1 389.499 3.392 20 0 GGADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000179893896 1429628145 /nfs/dbraw/zinc/62/81/45/1429628145.db2.gz NESFFWGCYYSUFU-UHFFFAOYSA-N 0 1 390.369 3.164 20 0 GGADMN CCC1(CC)[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C[C@@H]1OC ZINC000179893311 1429628157 /nfs/dbraw/zinc/62/81/57/1429628157.db2.gz LUVWDAKLAHKANW-KBPBESRZSA-N 0 1 394.422 3.149 20 0 GGADMN CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C[C@@H]1OC ZINC000179893296 1429628180 /nfs/dbraw/zinc/62/81/80/1429628180.db2.gz LUVWDAKLAHKANW-KGLIPLIRSA-N 0 1 394.422 3.149 20 0 GGADMN CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000155253448 1423277538 /nfs/dbraw/zinc/27/75/38/1423277538.db2.gz YESSSRRWHNITJA-LIRRHRJNSA-N 0 1 389.521 3.416 20 0 GGADMN CN(CC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)[C@H]1CCSC1 ZINC000155255634 1423278536 /nfs/dbraw/zinc/27/85/36/1423278536.db2.gz LUDWOYJZHOHZNP-AWEZNQCLSA-N 0 1 385.986 3.269 20 0 GGADMN COC(=O)Cc1ccccc1CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000155257678 1423280603 /nfs/dbraw/zinc/28/06/03/1423280603.db2.gz IPEBBBULDHQJPV-UHFFFAOYSA-N 0 1 394.515 3.069 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1nnc[nH]1 ZINC000155273718 1423292205 /nfs/dbraw/zinc/29/22/05/1423292205.db2.gz CRWXUNNRBAEMNR-XCBNKYQSSA-N 0 1 379.289 3.070 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000155276039 1423293380 /nfs/dbraw/zinc/29/33/80/1423293380.db2.gz KEGLSGILAMREBC-KRWDZBQOSA-N 0 1 389.858 3.198 20 0 GGADMN C[N@@H+]1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826023035 1423296041 /nfs/dbraw/zinc/29/60/41/1423296041.db2.gz WCIVJYDPPODVSZ-LRDDRELGSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826023035 1423296060 /nfs/dbraw/zinc/29/60/60/1423296060.db2.gz WCIVJYDPPODVSZ-LRDDRELGSA-N 0 1 387.850 3.159 20 0 GGADMN C[C@@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824594021 1423296555 /nfs/dbraw/zinc/29/65/55/1423296555.db2.gz VRSAMQKNLULOPT-GFCCVEGCSA-N 0 1 391.401 3.433 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)N[C@@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000155282463 1423297674 /nfs/dbraw/zinc/29/76/74/1423297674.db2.gz CCIVXSXCOSBNKH-WMZOPIPTSA-N 0 1 398.503 3.379 20 0 GGADMN CCOC(=O)c1ccc(N2CCCN(Cc3cn(C)nc3C(C)(C)C)CC2)nc1 ZINC000179897729 1429630086 /nfs/dbraw/zinc/63/00/86/1429630086.db2.gz JSAUMTVSVYFKDA-UHFFFAOYSA-N 0 1 399.539 3.002 20 0 GGADMN O[C@H](CN1CCC(OC[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000155284676 1423298647 /nfs/dbraw/zinc/29/86/47/1423298647.db2.gz DKYSRRPIEKUOAM-MAUKXSAKSA-N 0 1 384.314 3.143 20 0 GGADMN CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000155284160 1423299053 /nfs/dbraw/zinc/29/90/53/1423299053.db2.gz SDTLGCQLHNTTEB-MSOLQXFVSA-N 0 1 387.528 3.483 20 0 GGADMN CCCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000155284493 1423299382 /nfs/dbraw/zinc/29/93/82/1423299382.db2.gz SDTLGCQLHNTTEB-ZWKOTPCHSA-N 0 1 387.528 3.483 20 0 GGADMN COc1ccc([C@H]2CCN(CC(=O)NCCc3nc4ccccc4s3)C2)cc1 ZINC000155286115 1423300130 /nfs/dbraw/zinc/30/01/30/1423300130.db2.gz VIXLGBVRZMAZMO-KRWDZBQOSA-N 0 1 395.528 3.453 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1cccc(N(C)C)c1)N1CCCC1 ZINC000155294308 1423303762 /nfs/dbraw/zinc/30/37/62/1423303762.db2.gz MVQCQUDISRLMBU-OAQYLSRUSA-N 0 1 396.535 3.398 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000155295474 1423304871 /nfs/dbraw/zinc/30/48/71/1423304871.db2.gz XNXWNLPLBJMXEF-UHFFFAOYSA-N 0 1 389.868 3.220 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000155302389 1423307993 /nfs/dbraw/zinc/30/79/93/1423307993.db2.gz HQIAWJNVWQRLKL-DOTOQJQBSA-N 0 1 382.851 3.009 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822946593 1423308886 /nfs/dbraw/zinc/30/88/86/1423308886.db2.gz YVYXFNGXGYMVML-MRXNPFEDSA-N 0 1 397.504 3.435 20 0 GGADMN O=C(C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822946593 1423308897 /nfs/dbraw/zinc/30/88/97/1423308897.db2.gz YVYXFNGXGYMVML-MRXNPFEDSA-N 0 1 397.504 3.435 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822946593 1423308909 /nfs/dbraw/zinc/30/89/09/1423308909.db2.gz YVYXFNGXGYMVML-MRXNPFEDSA-N 0 1 397.504 3.435 20 0 GGADMN CC1(C)[C@H](NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CCO[C@@H]21 ZINC000155306999 1423310156 /nfs/dbraw/zinc/31/01/56/1423310156.db2.gz PEOBGKRELIIBMS-QRVBRYPASA-N 0 1 391.943 3.417 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000155328312 1423319388 /nfs/dbraw/zinc/31/93/88/1423319388.db2.gz ROQRVWTXONTALJ-CABCVRRESA-N 0 1 390.505 3.168 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000155328428 1423320272 /nfs/dbraw/zinc/32/02/72/1423320272.db2.gz ROQRVWTXONTALJ-LSDHHAIUSA-N 0 1 390.505 3.168 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)n[nH]2)cc1OC ZINC000155337954 1423322634 /nfs/dbraw/zinc/32/26/34/1423322634.db2.gz YIUYLZGSNLIEHV-QAPCUYQASA-N 0 1 397.475 3.458 20 0 GGADMN CC(C)(NCC(=O)NCc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 ZINC000155340488 1423324630 /nfs/dbraw/zinc/32/46/30/1423324630.db2.gz YIRFNKPRQDGBHX-UHFFFAOYSA-N 0 1 379.932 3.021 20 0 GGADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000155361226 1423332863 /nfs/dbraw/zinc/33/28/63/1423332863.db2.gz RKVQKZSJNOCBSO-UHFFFAOYSA-N 0 1 399.407 3.089 20 0 GGADMN Cc1noc2nc(C)cc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c12 ZINC000155375768 1423339356 /nfs/dbraw/zinc/33/93/56/1423339356.db2.gz NEXBGQCIGFYUTR-OAHLLOKOSA-N 0 1 379.464 3.190 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cnc(C(F)(F)F)nc1 ZINC000155378050 1423340342 /nfs/dbraw/zinc/34/03/42/1423340342.db2.gz ADCRIGVUFQVDKQ-CYBMUJFWSA-N 0 1 377.326 3.476 20 0 GGADMN Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000155386116 1423342712 /nfs/dbraw/zinc/34/27/12/1423342712.db2.gz QQKDEUBWVBLULP-UHFFFAOYSA-N 0 1 378.929 3.491 20 0 GGADMN O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000155388144 1423344423 /nfs/dbraw/zinc/34/44/23/1423344423.db2.gz DXIPDJIRNUICJN-ABAIWWIYSA-N 0 1 382.386 3.021 20 0 GGADMN CC[C@H]1c2ccsc2CCN1C(=O)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000155401509 1423349441 /nfs/dbraw/zinc/34/94/41/1423349441.db2.gz IBGPJEFCZGBLPK-HNNXBMFYSA-N 0 1 379.570 3.114 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3ccccc3)n[nH]2)cc1 ZINC000155419450 1423356576 /nfs/dbraw/zinc/35/65/76/1423356576.db2.gz UCDLQWSMLFJCDE-UGKGYDQZSA-N 0 1 391.471 3.350 20 0 GGADMN Cc1nc(-c2cccc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c2)n[nH]1 ZINC000155427933 1423359258 /nfs/dbraw/zinc/35/92/58/1423359258.db2.gz UZEHGZGKMFWCJC-OAHLLOKOSA-N 0 1 390.491 3.131 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)c2)o1 ZINC000155429023 1423359571 /nfs/dbraw/zinc/35/95/71/1423359571.db2.gz MYYKMGFSCVSSIA-HNNXBMFYSA-N 0 1 391.475 3.395 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000155437838 1423363672 /nfs/dbraw/zinc/36/36/72/1423363672.db2.gz QOYAYUZKFADKTP-VAMGGRTRSA-N 0 1 391.600 3.336 20 0 GGADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000155437648 1423363965 /nfs/dbraw/zinc/36/39/65/1423363965.db2.gz QOYAYUZKFADKTP-XUVXKRRUSA-N 0 1 391.600 3.336 20 0 GGADMN CCO[C@H]1CCCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000155458840 1423372931 /nfs/dbraw/zinc/37/29/31/1423372931.db2.gz SSKXBUAWLNOSHS-SFHVURJKSA-N 0 1 382.932 3.052 20 0 GGADMN c1nc2[nH]cccc-2c1C1=CC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000735399888 1423373087 /nfs/dbraw/zinc/37/30/87/1423373087.db2.gz NNZIUVWLRVMYIU-UHFFFAOYSA-N 0 1 396.458 3.285 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000155473559 1423379681 /nfs/dbraw/zinc/37/96/81/1423379681.db2.gz WNVQXQMXRKKUAH-OXQOHEQNSA-N 0 1 395.494 3.416 20 0 GGADMN CC1(C)COCC[N@@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824812789 1423380460 /nfs/dbraw/zinc/38/04/60/1423380460.db2.gz QTCPNZIKVOXJAP-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN CC1(C)COCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824812789 1423380469 /nfs/dbraw/zinc/38/04/69/1423380469.db2.gz QTCPNZIKVOXJAP-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cccc4cn[nH]c43)cc2)C[C@H](C)O1 ZINC000155487390 1423382899 /nfs/dbraw/zinc/38/28/99/1423382899.db2.gz QJEKBGDADVSHNN-OKILXGFUSA-N 0 1 378.432 3.065 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(-c4ccco4)n[nH]3)cc2)C[C@@H](C)O1 ZINC000155490191 1423384379 /nfs/dbraw/zinc/38/43/79/1423384379.db2.gz ITGOLYACAGFLBT-ZIAGYGMSSA-N 0 1 394.431 3.171 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(F)cc3nccnc32)CC1 ZINC000155490377 1423384668 /nfs/dbraw/zinc/38/46/68/1423384668.db2.gz WBUIPHRFGGXUEW-CQSZACIVSA-N 0 1 379.439 3.119 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n[nH]1 ZINC000155495266 1423386445 /nfs/dbraw/zinc/38/64/45/1423386445.db2.gz UTLVYSWRCNIIPJ-GTNSWQLSSA-N 0 1 385.493 3.091 20 0 GGADMN CCOc1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000821418330 1423388330 /nfs/dbraw/zinc/38/83/30/1423388330.db2.gz ZXQCHDUXXZEYPZ-FQEVSTJZSA-N 0 1 381.480 3.209 20 0 GGADMN CCOc1ccc(C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000821418330 1423388338 /nfs/dbraw/zinc/38/83/38/1423388338.db2.gz ZXQCHDUXXZEYPZ-FQEVSTJZSA-N 0 1 381.480 3.209 20 0 GGADMN CCOc1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000821418330 1423388348 /nfs/dbraw/zinc/38/83/48/1423388348.db2.gz ZXQCHDUXXZEYPZ-FQEVSTJZSA-N 0 1 381.480 3.209 20 0 GGADMN O=C(NCc1ccccc1OCC(F)(F)F)c1c[nH]c2ccccc2c1=O ZINC000155499344 1423388847 /nfs/dbraw/zinc/38/88/47/1423388847.db2.gz DVOQAINGEHOMFZ-UHFFFAOYSA-N 0 1 376.334 3.399 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000155503325 1423390704 /nfs/dbraw/zinc/39/07/04/1423390704.db2.gz GMZWZCKEKKZVSJ-AWEZNQCLSA-N 0 1 396.516 3.081 20 0 GGADMN c1ccc([C@@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCCO2)cc1 ZINC000826520212 1423390748 /nfs/dbraw/zinc/39/07/48/1423390748.db2.gz CSEWBPMRQINHEE-IBGZPJMESA-N 0 1 376.464 3.109 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2N2CCCCC2)CC1 ZINC000155506505 1423391562 /nfs/dbraw/zinc/39/15/62/1423391562.db2.gz LUGQFCVGPNMLDE-GOSISDBHSA-N 0 1 393.535 3.422 20 0 GGADMN O=C(Nc1cccc(CN2CCOCC2)n1)c1cn[nH]c1-c1cccc(Cl)c1 ZINC000179913375 1429637725 /nfs/dbraw/zinc/63/77/25/1429637725.db2.gz FZZCLPYESBTRAR-UHFFFAOYSA-N 0 1 397.866 3.210 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000155532636 1423403500 /nfs/dbraw/zinc/40/35/00/1423403500.db2.gz OWUJMPCVYSRHTL-MRXNPFEDSA-N 0 1 393.466 3.362 20 0 GGADMN CCCNC(=O)c1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000155542695 1423410597 /nfs/dbraw/zinc/41/05/97/1423410597.db2.gz SREDWAIEBJJHNR-QGZVFWFLSA-N 0 1 394.519 3.177 20 0 GGADMN CN(CC(=O)Nc1ccccc1COc1ccccc1)c1ncnc2[nH]cnc21 ZINC000155547547 1423412950 /nfs/dbraw/zinc/41/29/50/1423412950.db2.gz SXVVBMOUTOVPMT-UHFFFAOYSA-N 0 1 388.431 3.007 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000825980733 1423417815 /nfs/dbraw/zinc/41/78/15/1423417815.db2.gz IGBBWONMWBCHRH-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[N@H+](Cc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825980733 1423417821 /nfs/dbraw/zinc/41/78/21/1423417821.db2.gz IGBBWONMWBCHRH-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[N@@H+](Cc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000825980733 1423417826 /nfs/dbraw/zinc/41/78/26/1423417826.db2.gz IGBBWONMWBCHRH-UHFFFAOYSA-N 0 1 379.468 3.212 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000735561209 1429640139 /nfs/dbraw/zinc/64/01/39/1429640139.db2.gz JMNHPRVYSQQVGJ-AOMKIAJQSA-N 0 1 390.491 3.247 20 0 GGADMN CN(C(=O)CC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000825817369 1429641129 /nfs/dbraw/zinc/64/11/29/1429641129.db2.gz INUHWKHBUNCESD-UHFFFAOYSA-N 0 1 388.475 3.009 20 0 GGADMN CN1CC[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155599419 1423438270 /nfs/dbraw/zinc/43/82/70/1423438270.db2.gz FGUCHPJQSBHNLU-CLCXKQKWSA-N 0 1 390.890 3.047 20 0 GGADMN CN1CC[C@H](CNC(=O)c2ccc(NC=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155606877 1423442249 /nfs/dbraw/zinc/44/22/49/1423442249.db2.gz JENJOTQOKZFORB-BEFAXECRSA-N 0 1 389.858 3.470 20 0 GGADMN CN1CC[C@@H](CNC(=O)COc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155607788 1423442320 /nfs/dbraw/zinc/44/23/20/1423442320.db2.gz MGWPEZVREHFKSS-XOBRGWDASA-N 0 1 392.858 3.373 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2ccc(NC=O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155607007 1423442489 /nfs/dbraw/zinc/44/24/89/1423442489.db2.gz JENJOTQOKZFORB-KXBFYZLASA-N 0 1 389.858 3.470 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(Cn2ccnn2)CC1)c1ccc2ccccc2c1 ZINC000155618045 1423449662 /nfs/dbraw/zinc/44/96/62/1423449662.db2.gz LCLFKBHSMJEXJV-MSOLQXFVSA-N 0 1 391.519 3.409 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000155622201 1423452232 /nfs/dbraw/zinc/45/22/32/1423452232.db2.gz LRTYKAKSCDZLHG-QIIPPGSGSA-N 0 1 399.963 3.025 20 0 GGADMN COc1ccc(CN(CC(=O)N2CCc3ccccc3C2)[C@H](CO)C(C)C)cc1 ZINC000179923874 1429643764 /nfs/dbraw/zinc/64/37/64/1429643764.db2.gz VMZMJVXNXIQJMH-HSZRJFAPSA-N 0 1 396.531 3.099 20 0 GGADMN COCCCOc1cc(C)ccc1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155629952 1423455764 /nfs/dbraw/zinc/45/57/64/1423455764.db2.gz GYVLQCKWIRKFBO-UHFFFAOYSA-N 0 1 380.448 3.125 20 0 GGADMN COCCNCC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000155639392 1423463160 /nfs/dbraw/zinc/46/31/60/1423463160.db2.gz VDMFSNCRWQVUSO-UHFFFAOYSA-N 0 1 382.382 3.459 20 0 GGADMN Fc1ccc(-n2nc(CN3CCC(Cn4ccnn4)CC3)c3c2CCC3)cc1 ZINC000155642391 1423464045 /nfs/dbraw/zinc/46/40/45/1423464045.db2.gz RNTYWLVNJJVPTH-UHFFFAOYSA-N 0 1 380.471 3.004 20 0 GGADMN Cc1nc(NC(=O)c2cccc(C[NH+](C)C)c2)sc1-c1n[n-]c(=S)n1C ZINC000155653326 1423469953 /nfs/dbraw/zinc/46/99/53/1423469953.db2.gz BUOATYRSOWTWKF-UHFFFAOYSA-N 0 1 388.522 3.224 20 0 GGADMN COc1cc(F)c(NC(=O)NC2CCN(Cc3ccccn3)CC2)cc1F ZINC000155655672 1423470526 /nfs/dbraw/zinc/47/05/26/1423470526.db2.gz BVWLURWZRMSSBJ-UHFFFAOYSA-N 0 1 376.407 3.155 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000155662368 1423473799 /nfs/dbraw/zinc/47/37/99/1423473799.db2.gz SRLUVZKMQCHWFE-MRXNPFEDSA-N 0 1 393.466 3.362 20 0 GGADMN COc1ccc(CN(CC(=O)N[C@H](C)c2cccs2)[C@H](CO)C(C)C)cc1 ZINC000179927023 1429645371 /nfs/dbraw/zinc/64/53/71/1429645371.db2.gz DNTRVHVOTNUJKC-VQIMIIECSA-N 0 1 390.549 3.453 20 0 GGADMN c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826520736 1429645430 /nfs/dbraw/zinc/64/54/30/1429645430.db2.gz QFXUXWQTVRCJBE-OXJNMPFZSA-N 0 1 379.464 3.003 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)cc(Cl)c2)N(C)C)cc1 ZINC000155667252 1423476998 /nfs/dbraw/zinc/47/69/98/1423476998.db2.gz FLRRRTWUGYMAGO-KRWDZBQOSA-N 0 1 377.847 3.145 20 0 GGADMN Cc1[nH]c(SCC(=O)NC[C@H](O)c2ccsc2)nc1Cc1ccccc1 ZINC000155674700 1423480523 /nfs/dbraw/zinc/48/05/23/1423480523.db2.gz NIZRSFJGOAOQLH-KRWDZBQOSA-N 0 1 387.530 3.312 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN(C)[C@H](c2ccccc2)C(C)C)n1 ZINC000155687710 1423486967 /nfs/dbraw/zinc/48/69/67/1423486967.db2.gz WOXFNJZENSLAAO-SFHVURJKSA-N 0 1 375.494 3.126 20 0 GGADMN CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155693722 1423489191 /nfs/dbraw/zinc/48/91/91/1423489191.db2.gz KMRJDTQBQOLRTD-SWLSCSKDSA-N 0 1 388.339 3.327 20 0 GGADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000155699359 1423492643 /nfs/dbraw/zinc/49/26/43/1423492643.db2.gz TVYVRJDHWLLEFO-KBPBESRZSA-N 0 1 376.888 3.264 20 0 GGADMN Cc1nc(C(=O)N(C)c2ccc(C(C)C)cc2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000155713716 1423500827 /nfs/dbraw/zinc/50/08/27/1423500827.db2.gz MLCNDYRJUNGJOJ-UHFFFAOYSA-N 0 1 393.373 3.113 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000736197646 1423508445 /nfs/dbraw/zinc/50/84/45/1423508445.db2.gz NHRKRKDXYZFSRA-HNNXBMFYSA-N 0 1 382.512 3.089 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000155737004 1423510676 /nfs/dbraw/zinc/51/06/76/1423510676.db2.gz VRDHFAHUKYIXQH-KRWDZBQOSA-N 0 1 388.537 3.034 20 0 GGADMN Cc1cccc(S(=O)(=O)CCCN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000155737004 1423510686 /nfs/dbraw/zinc/51/06/86/1423510686.db2.gz VRDHFAHUKYIXQH-KRWDZBQOSA-N 0 1 388.537 3.034 20 0 GGADMN CC(C)Cc1ccc([C@H](C)NC(=O)CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000155736919 1423510797 /nfs/dbraw/zinc/51/07/97/1423510797.db2.gz LTPQGZDLZXIDAG-SFHVURJKSA-N 0 1 383.540 3.066 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4cccc(C=O)c4)C3)[nH]c2c1 ZINC000155750145 1423516192 /nfs/dbraw/zinc/51/61/92/1423516192.db2.gz ZOLFFBLBVLDKMY-QGZVFWFLSA-N 0 1 377.444 3.469 20 0 GGADMN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155760740 1423521437 /nfs/dbraw/zinc/52/14/37/1423521437.db2.gz TVUYSPGREJDMCB-WBVHZDCISA-N 0 1 397.910 3.267 20 0 GGADMN Cc1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)c(OC[C@H]2CCCO2)c1 ZINC000155774909 1423528735 /nfs/dbraw/zinc/52/87/35/1423528735.db2.gz RSJGBVLOLGWVOA-LJQANCHMSA-N 0 1 392.459 3.268 20 0 GGADMN CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)CC1CCOCC1 ZINC000155779362 1423530129 /nfs/dbraw/zinc/53/01/29/1423530129.db2.gz YEINHCGCJJMYAJ-UHFFFAOYSA-N 0 1 381.448 3.385 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000155784567 1423533460 /nfs/dbraw/zinc/53/34/60/1423533460.db2.gz PAHIOYWGJAJBBH-HNNXBMFYSA-N 0 1 375.488 3.413 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc(Cl)ncc1Cl ZINC000155794662 1423536375 /nfs/dbraw/zinc/53/63/75/1423536375.db2.gz CRPBOFRXICOEJY-UHFFFAOYSA-N 0 1 386.323 3.401 20 0 GGADMN COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826098724 1423538328 /nfs/dbraw/zinc/53/83/28/1423538328.db2.gz MZRPRVGZXWIYPR-KRWDZBQOSA-N 0 1 383.427 3.036 20 0 GGADMN CC(C)CN1N=C(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)CCC1=O ZINC000155801754 1423539953 /nfs/dbraw/zinc/53/99/53/1423539953.db2.gz GSPMPGWWFRXGEV-AWEZNQCLSA-N 0 1 381.461 3.016 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1c(C)noc1C ZINC000155803421 1423540949 /nfs/dbraw/zinc/54/09/49/1423540949.db2.gz DTQFADIZRPFOHP-YOEHRIQHSA-N 0 1 389.496 3.396 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1c(C)noc1C ZINC000155803745 1423541205 /nfs/dbraw/zinc/54/12/05/1423541205.db2.gz DTQFADIZRPFOHP-RHSMWYFYSA-N 0 1 389.496 3.396 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155810913 1423544575 /nfs/dbraw/zinc/54/45/75/1423544575.db2.gz BAIIQPJHQQQIPO-GGPKGHCWSA-N 0 1 391.519 3.217 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(F)cc1 ZINC000155812738 1423544793 /nfs/dbraw/zinc/54/47/93/1423544793.db2.gz LFHNSULPWYATGN-BQFCYCMXSA-N 0 1 395.482 3.314 20 0 GGADMN C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155826757 1423550655 /nfs/dbraw/zinc/55/06/55/1423550655.db2.gz MQMVMSXICBUXGN-MJGOQNOKSA-N 0 1 389.503 3.277 20 0 GGADMN CC1(C)CC([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC(C)(C)C1 ZINC000824790744 1423551873 /nfs/dbraw/zinc/55/18/73/1423551873.db2.gz PUSMGEXLOFNFHI-UHFFFAOYSA-N 0 1 383.544 3.425 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000155830450 1423552287 /nfs/dbraw/zinc/55/22/87/1423552287.db2.gz OKJPKHTVYAPZJJ-BEFAXECRSA-N 0 1 388.487 3.209 20 0 GGADMN CC[C@@H](N[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000155830529 1423552430 /nfs/dbraw/zinc/55/24/30/1423552430.db2.gz OKJPKHTVYAPZJJ-DNVCBOLYSA-N 0 1 388.487 3.209 20 0 GGADMN CCc1c(NC(=O)Cc2cccc(OCCOC)c2)[nH]nc1-c1ccncc1 ZINC000155831333 1423552706 /nfs/dbraw/zinc/55/27/06/1423552706.db2.gz FSDDIGKCBRSUTG-UHFFFAOYSA-N 0 1 380.448 3.241 20 0 GGADMN C[C@@H](CNC(=O)c1cccc(Nc2cnccn2)c1)N1CCc2ccccc2C1 ZINC000155836879 1423554279 /nfs/dbraw/zinc/55/42/79/1423554279.db2.gz WKTXSMDNXMPFJX-KRWDZBQOSA-N 0 1 387.487 3.397 20 0 GGADMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155836754 1423554409 /nfs/dbraw/zinc/55/44/09/1423554409.db2.gz DSQQZQLVDFEDMF-WMZOPIPTSA-N 0 1 395.482 3.095 20 0 GGADMN CN1C(=O)CCc2cc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000155840320 1423556202 /nfs/dbraw/zinc/55/62/02/1423556202.db2.gz BQTIWQDONXUVTL-UHFFFAOYSA-N 0 1 395.478 3.129 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCC(Cn2ccnn2)CC1)c1cc2ccccc2o1 ZINC000155843039 1423557313 /nfs/dbraw/zinc/55/73/13/1423557313.db2.gz YADUOSFBQZXMEP-HOTGVXAUSA-N 0 1 381.480 3.002 20 0 GGADMN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC(Cn2ccnn2)CC1 ZINC000155846594 1423559533 /nfs/dbraw/zinc/55/95/33/1423559533.db2.gz JCCTXQRHACZBEZ-UHFFFAOYSA-N 0 1 393.491 3.224 20 0 GGADMN CC1CC[NH+]([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2)CC1 ZINC000820723207 1423563635 /nfs/dbraw/zinc/56/36/35/1423563635.db2.gz XEPSVWDAFUWMKT-MRXNPFEDSA-N 0 1 396.520 3.131 20 0 GGADMN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155868719 1423568217 /nfs/dbraw/zinc/56/82/17/1423568217.db2.gz WQOSYVAWCQBDGD-MRXNPFEDSA-N 0 1 387.484 3.285 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1cnc2c(C)cc(F)cc2c1O)c1ccco1 ZINC000155875813 1423572443 /nfs/dbraw/zinc/57/24/43/1423572443.db2.gz FHMIOWSZERGDMP-QGZVFWFLSA-N 0 1 385.439 3.382 20 0 GGADMN CC[NH+](CC)[C@H](CNC(=O)c1cnc2c(C)cc(F)cc2c1[O-])c1ccco1 ZINC000155875813 1423572451 /nfs/dbraw/zinc/57/24/51/1423572451.db2.gz FHMIOWSZERGDMP-QGZVFWFLSA-N 0 1 385.439 3.382 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)CC1CCOCC1 ZINC000155879565 1423574166 /nfs/dbraw/zinc/57/41/66/1423574166.db2.gz RRLJOGGRWVBPGW-QGZVFWFLSA-N 0 1 387.505 3.377 20 0 GGADMN CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)CC1CCOCC1 ZINC000155879454 1423574253 /nfs/dbraw/zinc/57/42/53/1423574253.db2.gz RRLJOGGRWVBPGW-KRWDZBQOSA-N 0 1 387.505 3.377 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000155882105 1423575537 /nfs/dbraw/zinc/57/55/37/1423575537.db2.gz XYKOXZNWODIJQL-UTKZUKDTSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000155882105 1423575557 /nfs/dbraw/zinc/57/55/57/1423575557.db2.gz XYKOXZNWODIJQL-UTKZUKDTSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000155882229 1423575828 /nfs/dbraw/zinc/57/58/28/1423575828.db2.gz XYKOXZNWODIJQL-UWJYYQICSA-N 0 1 399.560 3.098 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000155882229 1423575837 /nfs/dbraw/zinc/57/58/37/1423575837.db2.gz XYKOXZNWODIJQL-UWJYYQICSA-N 0 1 399.560 3.098 20 0 GGADMN COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826210999 1423575878 /nfs/dbraw/zinc/57/58/78/1423575878.db2.gz MAENEOWUWYYEFX-CYBMUJFWSA-N 0 1 385.443 3.306 20 0 GGADMN CC[C@H](N[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1)c1c(C)noc1C ZINC000155888053 1423578636 /nfs/dbraw/zinc/57/86/36/1423578636.db2.gz RAJKPWHPFRWOQC-UAGQMJEPSA-N 0 1 387.480 3.019 20 0 GGADMN CC(C)[C@H](CNC(=O)NC(C)(C)c1cccc(Cl)c1)N1CCN(C)CC1 ZINC000155898063 1423583010 /nfs/dbraw/zinc/58/30/10/1423583010.db2.gz QIHSSWYMGXJDJT-SFHVURJKSA-N 0 1 380.964 3.146 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000155904319 1423587773 /nfs/dbraw/zinc/58/77/73/1423587773.db2.gz LGWJOADQBMQSLF-VQTJNVASSA-N 0 1 390.572 3.487 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)o1 ZINC000155904319 1423587784 /nfs/dbraw/zinc/58/77/84/1423587784.db2.gz LGWJOADQBMQSLF-VQTJNVASSA-N 0 1 390.572 3.487 20 0 GGADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000155919230 1423594415 /nfs/dbraw/zinc/59/44/15/1423594415.db2.gz VQXOWVHCVXWJLC-KRWDZBQOSA-N 0 1 378.582 3.240 20 0 GGADMN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000155943076 1423604011 /nfs/dbraw/zinc/60/40/11/1423604011.db2.gz RXROFBNNNCGAKF-IRXDYDNUSA-N 0 1 384.524 3.112 20 0 GGADMN Fc1cc(N2CC[C@H]([NH2+]Cc3cc(-c4nn[n-]n4)cs3)C2)ccc1Cl ZINC000826372734 1423604683 /nfs/dbraw/zinc/60/46/83/1423604683.db2.gz JICMECOMTWLIAZ-NSHDSACASA-N 0 1 378.864 3.089 20 0 GGADMN C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820571056 1423610564 /nfs/dbraw/zinc/61/05/64/1423610564.db2.gz VAGNDTBIJAZECO-WBMJQRKESA-N 0 1 380.477 3.203 20 0 GGADMN C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820571056 1423610566 /nfs/dbraw/zinc/61/05/66/1423610566.db2.gz VAGNDTBIJAZECO-WBMJQRKESA-N 0 1 380.477 3.203 20 0 GGADMN O=C(CN1CCC(Cn2ccnn2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000155962751 1423612527 /nfs/dbraw/zinc/61/25/27/1423612527.db2.gz JTCZRSUBNYUPHD-JOCHJYFZSA-N 0 1 399.514 3.177 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000155969473 1423613981 /nfs/dbraw/zinc/61/39/81/1423613981.db2.gz JCLAJPCICHRANY-RHSMWYFYSA-N 0 1 399.495 3.237 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000155969358 1423614354 /nfs/dbraw/zinc/61/43/54/1423614354.db2.gz JCLAJPCICHRANY-WMLDXEAASA-N 0 1 399.495 3.237 20 0 GGADMN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155977825 1423617370 /nfs/dbraw/zinc/61/73/70/1423617370.db2.gz PZDINTRQTKKLTR-UTKZUKDTSA-N 0 1 382.504 3.146 20 0 GGADMN Cc1cccc(C)c1NCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000155983914 1423620110 /nfs/dbraw/zinc/62/01/10/1423620110.db2.gz ZDCJOUVCPNNPSK-SFHVURJKSA-N 0 1 398.526 3.484 20 0 GGADMN Cc1cccc(C)c1NCC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000155984033 1423620357 /nfs/dbraw/zinc/62/03/57/1423620357.db2.gz ZDCJOUVCPNNPSK-GOSISDBHSA-N 0 1 398.526 3.484 20 0 GGADMN CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000155985748 1423621374 /nfs/dbraw/zinc/62/13/74/1423621374.db2.gz DQDWKXAFNSQUOY-UHFFFAOYSA-N 0 1 377.828 3.277 20 0 GGADMN CC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000179948121 1429657430 /nfs/dbraw/zinc/65/74/30/1429657430.db2.gz RZJCOVQSJLTKRP-UHFFFAOYSA-N 0 1 399.222 3.361 20 0 GGADMN O=C(CN(Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc(OC(F)F)cc1 ZINC000155990294 1423623382 /nfs/dbraw/zinc/62/33/82/1423623382.db2.gz UECBANZADRZUII-LJQANCHMSA-N 0 1 390.430 3.500 20 0 GGADMN O=C(Nc1cccnc1OCC(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179947900 1429657616 /nfs/dbraw/zinc/65/76/16/1429657616.db2.gz FGZHEMVYVBOVDP-LBPRGKRZSA-N 0 1 392.410 3.133 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000737031569 1429658109 /nfs/dbraw/zinc/65/81/09/1429658109.db2.gz AKOJDUQSFFCLAJ-ZDUSSCGKSA-N 0 1 383.427 3.013 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000737031569 1429658114 /nfs/dbraw/zinc/65/81/14/1429658114.db2.gz AKOJDUQSFFCLAJ-ZDUSSCGKSA-N 0 1 383.427 3.013 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)n2)o1 ZINC000156007380 1423631689 /nfs/dbraw/zinc/63/16/89/1423631689.db2.gz FTRZCVKUOPYBIC-UHFFFAOYSA-N 0 1 376.420 3.357 20 0 GGADMN CC[N@@H+](CCC(=O)OCc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419023 1423632718 /nfs/dbraw/zinc/63/27/18/1423632718.db2.gz DKYJWDMBPFDHBI-INIZCTEOSA-N 0 1 379.464 3.383 20 0 GGADMN CC[N@H+](CCC(=O)OCc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419023 1423632723 /nfs/dbraw/zinc/63/27/23/1423632723.db2.gz DKYJWDMBPFDHBI-INIZCTEOSA-N 0 1 379.464 3.383 20 0 GGADMN CC[N@@H+](CCC(=O)OCc1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825419023 1423632724 /nfs/dbraw/zinc/63/27/24/1423632724.db2.gz DKYJWDMBPFDHBI-INIZCTEOSA-N 0 1 379.464 3.383 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000179949277 1429658425 /nfs/dbraw/zinc/65/84/25/1429658425.db2.gz GMMQQMXFROCBAH-MRXNPFEDSA-N 0 1 386.517 3.458 20 0 GGADMN CC[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)c1ccc2c(c1)OCCO2 ZINC000179949314 1429658476 /nfs/dbraw/zinc/65/84/76/1429658476.db2.gz VCQSIPQVJXVLEF-GOSISDBHSA-N 0 1 375.490 3.492 20 0 GGADMN C[C@H](NC(=O)CN1CCC(Cn2ccnn2)CC1)c1cccc2ccccc21 ZINC000156016056 1423635647 /nfs/dbraw/zinc/63/56/47/1423635647.db2.gz PKPOWWKZTXXPPM-KRWDZBQOSA-N 0 1 377.492 3.021 20 0 GGADMN O=C(CSc1c[nH]nn1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000156016384 1423635834 /nfs/dbraw/zinc/63/58/34/1423635834.db2.gz YTRWEUQEFXNTAZ-INIZCTEOSA-N 0 1 377.473 3.326 20 0 GGADMN COc1ccc(-n2nc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cc2C)cc1 ZINC000179949785 1429658950 /nfs/dbraw/zinc/65/89/50/1429658950.db2.gz USBCFXVYRCGJPW-NRFANRHFSA-N 0 1 396.466 3.361 20 0 GGADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc3c(c2)OCO3)cc1 ZINC000156049525 1423650451 /nfs/dbraw/zinc/65/04/51/1423650451.db2.gz JLZSJFYYZZNQJZ-OAHLLOKOSA-N 0 1 390.505 3.297 20 0 GGADMN COc1c(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c(C)nn1C ZINC000156056078 1423653994 /nfs/dbraw/zinc/65/39/94/1423653994.db2.gz CODVTAJNGIRGOL-UHFFFAOYSA-N 0 1 388.431 3.442 20 0 GGADMN COc1c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(C)nn1C ZINC000156056078 1423653996 /nfs/dbraw/zinc/65/39/96/1423653996.db2.gz CODVTAJNGIRGOL-UHFFFAOYSA-N 0 1 388.431 3.442 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)c3oc(-c4ccccc4)nc3C)n2)cc1 ZINC000156072041 1423660253 /nfs/dbraw/zinc/66/02/53/1423660253.db2.gz LWOKQDTWOHPRRR-UHFFFAOYSA-N 0 1 389.415 3.374 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)c3oc(-c4ccccc4)nc3C)n[nH]2)cc1 ZINC000156072041 1423660265 /nfs/dbraw/zinc/66/02/65/1423660265.db2.gz LWOKQDTWOHPRRR-UHFFFAOYSA-N 0 1 389.415 3.374 20 0 GGADMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1N1CCCS1(=O)=O ZINC000156089070 1423666471 /nfs/dbraw/zinc/66/64/71/1423666471.db2.gz ZBQKFAXMZNKROP-UHFFFAOYSA-N 0 1 396.472 3.177 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@H]2CCCOc3ccc(OC)cc32)cc1 ZINC000179954672 1429661122 /nfs/dbraw/zinc/66/11/22/1429661122.db2.gz MOAMLDZCVGZOTG-IBGZPJMESA-N 0 1 375.490 3.492 20 0 GGADMN CCOC(=O)C[C@H]1CCCN1CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000156094194 1423669758 /nfs/dbraw/zinc/66/97/58/1423669758.db2.gz XTEHTEBSXJLYDJ-QUCCMNQESA-N 0 1 388.508 3.166 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC1CCOCC1 ZINC000156096820 1423671807 /nfs/dbraw/zinc/67/18/07/1423671807.db2.gz UBHQHQQYGGZTGM-UHFFFAOYSA-N 0 1 381.476 3.236 20 0 GGADMN CCOC(=O)C[C@H]1CCCN1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000156103592 1423673864 /nfs/dbraw/zinc/67/38/64/1423673864.db2.gz OPKNFHDIJOAKGR-GOSISDBHSA-N 0 1 395.503 3.201 20 0 GGADMN CC[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cc(F)ccc1F ZINC000156110412 1423677156 /nfs/dbraw/zinc/67/71/56/1423677156.db2.gz AORNMUGLYKZQQP-KXBFYZLASA-N 0 1 381.467 3.170 20 0 GGADMN CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)C1 ZINC000156112901 1423678645 /nfs/dbraw/zinc/67/86/45/1423678645.db2.gz RXHQWPRYMBSNJQ-GOSISDBHSA-N 0 1 389.459 3.336 20 0 GGADMN CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)C1 ZINC000156112901 1423678658 /nfs/dbraw/zinc/67/86/58/1423678658.db2.gz RXHQWPRYMBSNJQ-GOSISDBHSA-N 0 1 389.459 3.336 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1Cl ZINC000179957988 1429662067 /nfs/dbraw/zinc/66/20/67/1429662067.db2.gz XOZYAEXPJOLGBB-UHFFFAOYSA-N 0 1 395.836 3.446 20 0 GGADMN Fc1ccc(C[C@@H]2CC[N@@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000737649265 1423681652 /nfs/dbraw/zinc/68/16/52/1423681652.db2.gz LNYTWXVZDUFQTE-KRWDZBQOSA-N 0 1 381.455 3.339 20 0 GGADMN Fc1ccc(C[C@@H]2CC[N@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737649265 1423681656 /nfs/dbraw/zinc/68/16/56/1423681656.db2.gz LNYTWXVZDUFQTE-KRWDZBQOSA-N 0 1 381.455 3.339 20 0 GGADMN Fc1ccc(C[C@@H]2CC[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737649265 1423681660 /nfs/dbraw/zinc/68/16/60/1423681660.db2.gz LNYTWXVZDUFQTE-KRWDZBQOSA-N 0 1 381.455 3.339 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)nn1-c1ccc(F)cc1 ZINC000179957575 1429662239 /nfs/dbraw/zinc/66/22/39/1429662239.db2.gz MYQUGHLGBQVKRP-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN COc1ccccc1CC1CC[NH+](Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737153884 1429663090 /nfs/dbraw/zinc/66/30/90/1429663090.db2.gz WFPBCXTWLVFQIM-UHFFFAOYSA-N 0 1 381.455 3.469 20 0 GGADMN CCOC(=O)C[C@H]1CCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000156153425 1423697086 /nfs/dbraw/zinc/69/70/86/1423697086.db2.gz BFHPGXBUBQULOD-XJKSGUPXSA-N 0 1 397.313 3.044 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)Cc3cccc(N(C)C)c3)n[nH]2)cc1OC ZINC000156161475 1423701490 /nfs/dbraw/zinc/70/14/90/1423701490.db2.gz RKPCCDBCABGNNH-UHFFFAOYSA-N 0 1 394.475 3.432 20 0 GGADMN COC(=O)c1ccc(N2CCN(C(=O)c3ccc(O)c(Cl)c3)[C@@H](C)C2)cc1 ZINC000156167578 1423704018 /nfs/dbraw/zinc/70/40/18/1423704018.db2.gz FNHMMYKRJNQSGW-ZDUSSCGKSA-N 0 1 388.851 3.183 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826502122 1423704559 /nfs/dbraw/zinc/70/45/59/1423704559.db2.gz VCSIQHUOCQGVNQ-WBVHZDCISA-N 0 1 384.509 3.192 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502122 1423704561 /nfs/dbraw/zinc/70/45/61/1423704561.db2.gz VCSIQHUOCQGVNQ-WBVHZDCISA-N 0 1 384.509 3.192 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502122 1423704562 /nfs/dbraw/zinc/70/45/62/1423704562.db2.gz VCSIQHUOCQGVNQ-WBVHZDCISA-N 0 1 384.509 3.192 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000822744258 1423725249 /nfs/dbraw/zinc/72/52/49/1423725249.db2.gz PHVBNIHRRMCHSI-UHFFFAOYSA-N 0 1 381.459 3.071 20 0 GGADMN CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)C1 ZINC000820989043 1429666677 /nfs/dbraw/zinc/66/66/77/1429666677.db2.gz KWMVZYIYESUHIS-QWHCGFSZSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)C1 ZINC000820989043 1429666681 /nfs/dbraw/zinc/66/66/81/1429666681.db2.gz KWMVZYIYESUHIS-QWHCGFSZSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)C1 ZINC000820989043 1429666684 /nfs/dbraw/zinc/66/66/84/1429666684.db2.gz KWMVZYIYESUHIS-QWHCGFSZSA-N 0 1 388.541 3.114 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000156246172 1423742043 /nfs/dbraw/zinc/74/20/43/1423742043.db2.gz XIUXVRGBNSPIGQ-NVXWUHKLSA-N 0 1 393.532 3.128 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)NC3(c4cccc(Cl)c4)CC3)cc2[nH]c1=S ZINC000156260003 1423746616 /nfs/dbraw/zinc/74/66/16/1423746616.db2.gz CTZMLVHSGXTSNW-UHFFFAOYSA-N 0 1 385.876 3.295 20 0 GGADMN Cc1sc(NC(=O)CNC[C@@H]2CCCO2)nc1-c1c(F)cc(F)cc1F ZINC000156262016 1423748537 /nfs/dbraw/zinc/74/85/37/1423748537.db2.gz SLRROLIUFVBXHG-NSHDSACASA-N 0 1 385.411 3.243 20 0 GGADMN CCn1cc(C(=O)C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cn1 ZINC000156269470 1423750379 /nfs/dbraw/zinc/75/03/79/1423750379.db2.gz LNNYKWRRUQQXSM-UHFFFAOYSA-N 0 1 386.415 3.177 20 0 GGADMN CCc1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000156282407 1423756736 /nfs/dbraw/zinc/75/67/36/1423756736.db2.gz GQLQSORDBTYLQZ-HNNXBMFYSA-N 0 1 394.562 3.182 20 0 GGADMN COCc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000156296203 1423762510 /nfs/dbraw/zinc/76/25/10/1423762510.db2.gz GYCQRIXFZUDUDC-UHFFFAOYSA-N 0 1 382.441 3.377 20 0 GGADMN COc1ccccc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826220185 1423762947 /nfs/dbraw/zinc/76/29/47/1423762947.db2.gz FOSRFWLSXPCQSK-CABCVRRESA-N 0 1 396.470 3.192 20 0 GGADMN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000179973182 1429669775 /nfs/dbraw/zinc/66/97/75/1429669775.db2.gz KKKMELJOPWJHIB-UHFFFAOYSA-N 0 1 383.839 3.214 20 0 GGADMN c1ccc2c(c1)[nH+]cc(-c1nnn[n-]1)c2NCc1ccnc(OC2CCCC2)c1 ZINC000738435854 1423780089 /nfs/dbraw/zinc/78/00/89/1423780089.db2.gz CCAHLJYXWBNSOV-UHFFFAOYSA-N 0 1 387.447 3.165 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc(OCCn3cncn3)c2)c1Cl ZINC000179977431 1429671031 /nfs/dbraw/zinc/67/10/31/1429671031.db2.gz RVAFTZZMRRMGPI-UHFFFAOYSA-N 0 1 392.868 3.120 20 0 GGADMN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000156337771 1423787101 /nfs/dbraw/zinc/78/71/01/1423787101.db2.gz UGWXEDSGZHKHDH-CQSZACIVSA-N 0 1 377.231 3.242 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C12CCC2 ZINC000821360732 1423788301 /nfs/dbraw/zinc/78/83/01/1423788301.db2.gz SEDWMSQPXSITRD-HOTGVXAUSA-N 0 1 393.438 3.248 20 0 GGADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C12CCC2 ZINC000821360732 1423788308 /nfs/dbraw/zinc/78/83/08/1423788308.db2.gz SEDWMSQPXSITRD-HOTGVXAUSA-N 0 1 393.438 3.248 20 0 GGADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C12CCC2 ZINC000821360732 1423788312 /nfs/dbraw/zinc/78/83/12/1423788312.db2.gz SEDWMSQPXSITRD-HOTGVXAUSA-N 0 1 393.438 3.248 20 0 GGADMN CC(=O)c1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)ccc1Br ZINC000179977803 1429671566 /nfs/dbraw/zinc/67/15/66/1429671566.db2.gz RGEBQMNGCRVBRG-UHFFFAOYSA-N 0 1 394.250 3.329 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)nn1-c1ccc(F)cc1 ZINC000179978504 1429672099 /nfs/dbraw/zinc/67/20/99/1429672099.db2.gz UOSOFXJFHWBWCS-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN COC[C@@H](N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC)c1ccc(C)o1 ZINC000156362425 1423798320 /nfs/dbraw/zinc/79/83/20/1423798320.db2.gz RGUJANKWOASOMR-CXAGYDPISA-N 0 1 376.453 3.300 20 0 GGADMN CCc1ccc([C@@H](CO)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000156382113 1423802258 /nfs/dbraw/zinc/80/22/58/1423802258.db2.gz CJDBDKWVIIWIJA-JOCHJYFZSA-N 0 1 399.510 3.385 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)c2)CC1 ZINC000156402652 1423806243 /nfs/dbraw/zinc/80/62/43/1423806243.db2.gz NDACEHWRABGUDZ-HSZRJFAPSA-N 0 1 392.547 3.151 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)c2)no1 ZINC000156412961 1423807331 /nfs/dbraw/zinc/80/73/31/1423807331.db2.gz YRMQQVBJDORBFJ-LJQANCHMSA-N 0 1 398.438 3.129 20 0 GGADMN Cc1nc(COc2cccc(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)c2)no1 ZINC000156412857 1423807363 /nfs/dbraw/zinc/80/73/63/1423807363.db2.gz YRMQQVBJDORBFJ-IBGZPJMESA-N 0 1 398.438 3.129 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](c3ccccc3F)C3CCCC3)CCO2)n[nH]1 ZINC000156418064 1423807903 /nfs/dbraw/zinc/80/79/03/1423807903.db2.gz PLKDILSJEQOFGV-QZTJIDSGSA-N 0 1 387.459 3.267 20 0 GGADMN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617286 1423809735 /nfs/dbraw/zinc/80/97/35/1423809735.db2.gz GBVZXWFTLATWFG-AWEZNQCLSA-N 0 1 381.459 3.242 20 0 GGADMN COc1ccccc1NC(=O)CN1CCN(CCCc2ccccc2C)CC1 ZINC000156432875 1423809933 /nfs/dbraw/zinc/80/99/33/1423809933.db2.gz GBSSVTJQWCACGW-UHFFFAOYSA-N 0 1 381.520 3.193 20 0 GGADMN O=C(CCCNC(=O)c1cccnc1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000156443555 1423811355 /nfs/dbraw/zinc/81/13/55/1423811355.db2.gz HCFKYSOBKDTKHX-UHFFFAOYSA-N 0 1 377.448 3.374 20 0 GGADMN CNC(=O)COc1cccc(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000156443843 1423811435 /nfs/dbraw/zinc/81/14/35/1423811435.db2.gz MDPHCOWQGCQAMQ-UHFFFAOYSA-N 0 1 392.459 3.136 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)N1CCCCC1 ZINC000156450486 1423812019 /nfs/dbraw/zinc/81/20/19/1423812019.db2.gz PUMFVOQDJIQNRW-HXUWFJFHSA-N 0 1 392.503 3.457 20 0 GGADMN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cn1 ZINC000156474394 1423815136 /nfs/dbraw/zinc/81/51/36/1423815136.db2.gz CTFPGMMKZLDULR-INIZCTEOSA-N 0 1 397.866 3.341 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)[nH]n2)cc1 ZINC000156485865 1423817077 /nfs/dbraw/zinc/81/70/77/1423817077.db2.gz GOYSMLYQZMJKHL-UHFFFAOYSA-N 0 1 376.416 3.247 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000156488382 1423817329 /nfs/dbraw/zinc/81/73/29/1423817329.db2.gz SYMPCMSJSUJVPM-GOSISDBHSA-N 0 1 381.520 3.257 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000156534284 1423824316 /nfs/dbraw/zinc/82/43/16/1423824316.db2.gz DUFMNUYCTJTBCB-INIZCTEOSA-N 0 1 387.549 3.019 20 0 GGADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000156537698 1423824686 /nfs/dbraw/zinc/82/46/86/1423824686.db2.gz PUACWMSXOAWXEL-SFHVURJKSA-N 0 1 381.520 3.224 20 0 GGADMN C[C@H](CN(C)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2)c1nn[nH]n1 ZINC000156544282 1423826045 /nfs/dbraw/zinc/82/60/45/1423826045.db2.gz CDGBSOMMCZXSDA-OAHLLOKOSA-N 0 1 375.476 3.356 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000156552101 1423827257 /nfs/dbraw/zinc/82/72/57/1423827257.db2.gz JRBCXFUWRDNIGR-UTKZUKDTSA-N 0 1 383.467 3.306 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000156570465 1423829934 /nfs/dbraw/zinc/82/99/34/1423829934.db2.gz JOGOZRCAEZEKHZ-OAQYLSRUSA-N 0 1 386.467 3.345 20 0 GGADMN COc1cccc(CN2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000156605932 1423835047 /nfs/dbraw/zinc/83/50/47/1423835047.db2.gz ADUTXCKAZACHAF-LJQANCHMSA-N 0 1 388.533 3.194 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccccc1CSc1nc[nH]n1)c1ccc(F)cc1 ZINC000156644318 1423839759 /nfs/dbraw/zinc/83/97/59/1423839759.db2.gz FTRHOBKHLQDISQ-GOSISDBHSA-N 0 1 399.495 3.269 20 0 GGADMN O=C(Nc1cccc(CNCc2cnc3cnccn23)c1)c1cccc(F)c1 ZINC000156641137 1423839933 /nfs/dbraw/zinc/83/99/33/1423839933.db2.gz ZEZLDYCDRKYGID-UHFFFAOYSA-N 0 1 375.407 3.411 20 0 GGADMN Cn1ncc2c1CCC[C@@H]2NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000156644336 1423840359 /nfs/dbraw/zinc/84/03/59/1423840359.db2.gz LFGUUIJXAGLSEX-SFHVURJKSA-N 0 1 375.538 3.159 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)[nH]n1 ZINC000156661515 1423843267 /nfs/dbraw/zinc/84/32/67/1423843267.db2.gz BPJMEBVJZUBLAN-UHFFFAOYSA-N 0 1 379.399 3.004 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NCc2cnc3cnccn23)cc1 ZINC000156662780 1423843751 /nfs/dbraw/zinc/84/37/51/1423843751.db2.gz ISHNEUJSIKMSQK-UHFFFAOYSA-N 0 1 378.480 3.156 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824548632 1429676625 /nfs/dbraw/zinc/67/66/25/1429676625.db2.gz YKKVGFUEYXTUDF-MPGHIAIKSA-N 0 1 380.471 3.492 20 0 GGADMN C[C@H](OC(=O)c1cn(CC(=O)C(C)(C)C)nn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000156667662 1423844350 /nfs/dbraw/zinc/84/43/50/1423844350.db2.gz JVLXWKDOUXINDN-JTQLQIEISA-N 0 1 389.843 3.341 20 0 GGADMN Cc1nc([C@@H](NS(=O)(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)no1 ZINC000179988924 1429677233 /nfs/dbraw/zinc/67/72/33/1429677233.db2.gz JOXNJFGXCFMVLM-HNNXBMFYSA-N 0 1 399.806 3.378 20 0 GGADMN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819933648 1423851354 /nfs/dbraw/zinc/85/13/54/1423851354.db2.gz YKHIDAHLBHXXRD-SFHVURJKSA-N 0 1 394.479 3.222 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000156720912 1423853854 /nfs/dbraw/zinc/85/38/54/1423853854.db2.gz AFOCZPMNUYWHIN-LBPRGKRZSA-N 0 1 391.821 3.098 20 0 GGADMN COc1ccc(C(C)(C)CNC(=O)[C@@H](N)c2cccc(Cl)c2)cc1OC ZINC000156745071 1423858381 /nfs/dbraw/zinc/85/83/81/1423858381.db2.gz BRGOWYLMVHHLAQ-SFHVURJKSA-N 0 1 376.884 3.451 20 0 GGADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc3cccnc32)ccc1Cl ZINC000156745996 1423858406 /nfs/dbraw/zinc/85/84/06/1423858406.db2.gz SXDDOJOIEKLKRK-UHFFFAOYSA-N 0 1 376.821 3.476 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCN1CCOC ZINC000156749127 1423858668 /nfs/dbraw/zinc/85/86/68/1423858668.db2.gz XPAUYBLJURBSNL-FQEVSTJZSA-N 0 1 399.539 3.454 20 0 GGADMN CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000156776594 1423862712 /nfs/dbraw/zinc/86/27/12/1423862712.db2.gz NIFBGEUBORBHTL-QGZVFWFLSA-N 0 1 375.538 3.011 20 0 GGADMN CCOc1ccc(CCNC(=O)c2cccc(-c3nnc[nH]3)c2)cc1OCC ZINC000156781091 1423864107 /nfs/dbraw/zinc/86/41/07/1423864107.db2.gz NDWTZFCZXBBICB-UHFFFAOYSA-N 0 1 380.448 3.242 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2F)N2CCCC2)c1 ZINC000156787615 1423865072 /nfs/dbraw/zinc/86/50/72/1423865072.db2.gz RMGNKANCOUBNJR-IBGZPJMESA-N 0 1 399.466 3.035 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2csc(-c3ccoc3)n2)n1 ZINC000156907335 1423884298 /nfs/dbraw/zinc/88/42/98/1423884298.db2.gz QJFSLDAUTDBPJM-UHFFFAOYSA-N 0 1 381.417 3.378 20 0 GGADMN CC[C@@H](CNC(=O)C(=O)Nc1c(C)cccc1F)N1CCc2ccccc2C1 ZINC000156927403 1423887926 /nfs/dbraw/zinc/88/79/26/1423887926.db2.gz DTJKLYFNKLLPIJ-SFHVURJKSA-N 0 1 383.467 3.026 20 0 GGADMN CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc(Br)ccc1[O-] ZINC000156942671 1423890932 /nfs/dbraw/zinc/89/09/32/1423890932.db2.gz FMKVMZMOZSYKLV-AWEZNQCLSA-N 0 1 376.316 3.020 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000822743896 1423891875 /nfs/dbraw/zinc/89/18/75/1423891875.db2.gz IDEDAOOYHFYGLW-UHFFFAOYSA-N 0 1 376.395 3.483 20 0 GGADMN Cc1ccc(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)c(C)c1 ZINC000156953510 1423892659 /nfs/dbraw/zinc/89/26/59/1423892659.db2.gz LJPJGCOXAJSPTN-UHFFFAOYSA-N 0 1 383.517 3.429 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N(C)C)c2)n1 ZINC000156970858 1423895023 /nfs/dbraw/zinc/89/50/23/1423895023.db2.gz NHZISEAWAFJXHY-IBGZPJMESA-N 0 1 392.459 3.008 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)C1 ZINC000156971792 1423895095 /nfs/dbraw/zinc/89/50/95/1423895095.db2.gz QBJWWQCRSZXVFO-WBVHZDCISA-N 0 1 398.507 3.242 20 0 GGADMN Cc1[nH]c(SCC(=O)N[C@H]2CCO[C@H](C3CC3)C2)nc1Cc1ccccc1 ZINC000156972585 1423895693 /nfs/dbraw/zinc/89/56/93/1423895693.db2.gz AGABODQDRLDHBK-HKUYNNGSSA-N 0 1 385.533 3.475 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000156978170 1423896017 /nfs/dbraw/zinc/89/60/17/1423896017.db2.gz ILTOSCZDLPVLRY-IIBYNOLFSA-N 0 1 394.519 3.276 20 0 GGADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC000156991559 1423898386 /nfs/dbraw/zinc/89/83/86/1423898386.db2.gz JTRAVLMCIOOJIO-NVXWUHKLSA-N 0 1 398.507 3.242 20 0 GGADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(Cl)c2)CN1Cc1ccccc1 ZINC000157005219 1423900762 /nfs/dbraw/zinc/90/07/62/1423900762.db2.gz TWLBVRDQBDTBQY-FZKQIMNGSA-N 0 1 389.858 3.197 20 0 GGADMN O=C(Nc1ccc(F)cc1)c1ccc(CNCc2cnc3cnccn23)cc1 ZINC000157013295 1423902453 /nfs/dbraw/zinc/90/24/53/1423902453.db2.gz RUHIUUXSALOIQS-UHFFFAOYSA-N 0 1 375.407 3.411 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN([C@@H](C)C(=O)N3CCCCC3)C2)cc1 ZINC000157016079 1423903196 /nfs/dbraw/zinc/90/31/96/1423903196.db2.gz YCOLSUGFLTXMTJ-RBUKOAKNSA-N 0 1 386.540 3.230 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@@H](C)C(=O)N3CCCCC3)C2)cc1 ZINC000157015928 1423903389 /nfs/dbraw/zinc/90/33/89/1423903389.db2.gz YCOLSUGFLTXMTJ-OALUTQOASA-N 0 1 386.540 3.230 20 0 GGADMN O=C(NCc1ccc(O)c(F)c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000157053361 1423912689 /nfs/dbraw/zinc/91/26/89/1423912689.db2.gz YKNXJMOHTBTLBB-UHFFFAOYSA-N 0 1 375.419 3.134 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233977 1423914135 /nfs/dbraw/zinc/91/41/35/1423914135.db2.gz ZCLRLVUGTPRGIY-MRXNPFEDSA-N 0 1 380.452 3.161 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c(-c2nnn[n-]2)c1C ZINC000822233977 1423914138 /nfs/dbraw/zinc/91/41/38/1423914138.db2.gz ZCLRLVUGTPRGIY-MRXNPFEDSA-N 0 1 380.452 3.161 20 0 GGADMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN1CC[C@H](C(N)=O)C1 ZINC000157070208 1423916807 /nfs/dbraw/zinc/91/68/07/1423916807.db2.gz BFOZQDCZQMWLSI-INIZCTEOSA-N 0 1 394.450 3.419 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)N1CCCC1 ZINC000157078571 1423920017 /nfs/dbraw/zinc/92/00/17/1423920017.db2.gz OAFFVBKZXLEZFX-LJQANCHMSA-N 0 1 391.475 3.047 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1cccc(-c2nc[nH]n2)c1)N1CCCC1 ZINC000157078716 1423920077 /nfs/dbraw/zinc/92/00/77/1423920077.db2.gz OAFFVBKZXLEZFX-IBGZPJMESA-N 0 1 391.475 3.047 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCNC3=O)c2)c1Cl ZINC000180000659 1429683217 /nfs/dbraw/zinc/68/32/17/1429683217.db2.gz WBOLKPHEJZWSQA-UHFFFAOYSA-N 0 1 379.869 3.369 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cccnc1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000157116645 1423929659 /nfs/dbraw/zinc/92/96/59/1423929659.db2.gz RHLLFOUNOWYJNA-FQEVSTJZSA-N 0 1 381.524 3.142 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1cccnc1-c1ccccc1)N1CCN(C)CC1 ZINC000157116645 1423929667 /nfs/dbraw/zinc/92/96/67/1423929667.db2.gz RHLLFOUNOWYJNA-FQEVSTJZSA-N 0 1 381.524 3.142 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)N2CCCC2)c1 ZINC000157134912 1423933590 /nfs/dbraw/zinc/93/35/90/1423933590.db2.gz YDJTYWFHUVRXSQ-FQEVSTJZSA-N 0 1 391.475 3.047 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N3CCCc4ccccc43)ccc2NC1=O ZINC000180002669 1429684049 /nfs/dbraw/zinc/68/40/49/1429684049.db2.gz ZZGTZORDZINYRL-YWZLYKJASA-N 0 1 393.487 3.426 20 0 GGADMN COc1cccc(-c2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)[nH]n2)c1 ZINC000157151993 1423937849 /nfs/dbraw/zinc/93/78/49/1423937849.db2.gz ROUWWHOURISXPA-UHFFFAOYSA-N 0 1 392.459 3.299 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)[nH]n2)cc1 ZINC000157184287 1423948578 /nfs/dbraw/zinc/94/85/78/1423948578.db2.gz BICNUSBTPRSFAI-UHFFFAOYSA-N 0 1 376.416 3.464 20 0 GGADMN CN(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCCc2c1cnn2C ZINC000157188527 1423949845 /nfs/dbraw/zinc/94/98/45/1423949845.db2.gz UMRNCVANHZPAKZ-MJGOQNOKSA-N 0 1 385.512 3.259 20 0 GGADMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN1CC[C@H](C(N)=O)C1 ZINC000157189794 1423950294 /nfs/dbraw/zinc/95/02/94/1423950294.db2.gz KPCMBSMADUFKIG-NSHDSACASA-N 0 1 386.805 3.160 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)N(CC(C)C)C(C)C)ccc2NC1=O ZINC000180005518 1429685796 /nfs/dbraw/zinc/68/57/96/1429685796.db2.gz IFVNPQNTMKYADG-CRAIPNDOSA-N 0 1 375.513 3.340 20 0 GGADMN CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331517 1423961845 /nfs/dbraw/zinc/96/18/45/1423961845.db2.gz QAZDRUJNZJXXJB-NEPJUHHUSA-N 0 1 376.892 3.358 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(CC(C)C)C(C)C)ccc2NC1=O ZINC000180005564 1429686285 /nfs/dbraw/zinc/68/62/85/1429686285.db2.gz IFVNPQNTMKYADG-YJBOKZPZSA-N 0 1 375.513 3.340 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCCc1nnc(-c2ccccc2)o1)c1cccc(F)c1 ZINC000157234193 1423962369 /nfs/dbraw/zinc/96/23/69/1423962369.db2.gz UANSBQAKOYETFO-SFHVURJKSA-N 0 1 397.454 3.020 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCCC[C@@H]3c3ncc[nH]3)n2)cc1 ZINC000157235869 1423962612 /nfs/dbraw/zinc/96/26/12/1423962612.db2.gz YYJHZQZPFMBJRO-OAHLLOKOSA-N 0 1 382.493 3.349 20 0 GGADMN O=C([C@H]1NCCc2ccccc21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000157254429 1423967800 /nfs/dbraw/zinc/96/78/00/1423967800.db2.gz NNNZHFXDQYJQNU-SFTDATJTSA-N 0 1 384.907 3.499 20 0 GGADMN COc1ccc(COC[C@H](O)CN2CCc3c(Cl)cccc3C2)cc1OC ZINC000157265436 1423970424 /nfs/dbraw/zinc/97/04/24/1423970424.db2.gz UVGXPGSPNOVNES-QGZVFWFLSA-N 0 1 391.895 3.293 20 0 GGADMN Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN(CCC(C)(C)C)CC3)c2)n1 ZINC000157287817 1423975225 /nfs/dbraw/zinc/97/52/25/1423975225.db2.gz JCVFZTQRDBVWIY-UHFFFAOYSA-N 0 1 398.507 3.169 20 0 GGADMN COCCCN1Cc2cccc(N[C@@H]3CCCN(CC(F)(F)F)C3=O)c2C1 ZINC000157296629 1423977626 /nfs/dbraw/zinc/97/76/26/1423977626.db2.gz MICNMZCQFVCLGH-QGZVFWFLSA-N 0 1 385.430 3.004 20 0 GGADMN COCCCN1Cc2cccc(N[C@H]3CCCN(CC(F)(F)F)C3=O)c2C1 ZINC000157296781 1423977902 /nfs/dbraw/zinc/97/79/02/1423977902.db2.gz MICNMZCQFVCLGH-KRWDZBQOSA-N 0 1 385.430 3.004 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)Nc3ccc(F)cc3F)ccc2NC1=O ZINC000180008587 1429687758 /nfs/dbraw/zinc/68/77/58/1429687758.db2.gz FSABXPBPEQPEHJ-GTNSWQLSSA-N 0 1 389.402 3.364 20 0 GGADMN CC[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccc(C)cc1 ZINC000157314255 1423982304 /nfs/dbraw/zinc/98/23/04/1423982304.db2.gz URUFPDOHJPZZSF-IBGZPJMESA-N 0 1 380.536 3.342 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)CC3CCCCC3)ccc2NC1=O ZINC000180008000 1429688070 /nfs/dbraw/zinc/68/80/70/1429688070.db2.gz CWTKZMRDMXIOID-KXBFYZLASA-N 0 1 387.524 3.485 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736322538 1423986394 /nfs/dbraw/zinc/98/63/94/1423986394.db2.gz LKKGLZZRELFVPO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@@H](C)[N@H+](C)CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322538 1423986398 /nfs/dbraw/zinc/98/63/98/1423986398.db2.gz LKKGLZZRELFVPO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@@H](C)[N@@H+](C)CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322538 1423986403 /nfs/dbraw/zinc/98/64/03/1423986403.db2.gz LKKGLZZRELFVPO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736322538 1423986409 /nfs/dbraw/zinc/98/64/09/1423986409.db2.gz LKKGLZZRELFVPO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736322538 1423986411 /nfs/dbraw/zinc/98/64/11/1423986411.db2.gz LKKGLZZRELFVPO-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN C[C@@H](CCCc1ccccc1)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000180009183 1429688607 /nfs/dbraw/zinc/68/86/07/1429688607.db2.gz LXXHCTCUMQAZSO-IBGZPJMESA-N 0 1 380.536 3.109 20 0 GGADMN O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc(CN2CCSCC2)cc1 ZINC000157383959 1423999467 /nfs/dbraw/zinc/99/94/67/1423999467.db2.gz JUWYBYBWPAJAMF-UHFFFAOYSA-N 0 1 379.489 3.273 20 0 GGADMN C=CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000157394162 1424001838 /nfs/dbraw/zinc/00/18/38/1424001838.db2.gz KVYHZAIOYTYTGP-UHFFFAOYSA-N 0 1 394.880 3.407 20 0 GGADMN COc1cccc([C@H](CNC(=O)Cc2c[nH]c3cccc(OC)c23)N(C)C)c1 ZINC000180010712 1429689869 /nfs/dbraw/zinc/68/98/69/1429689869.db2.gz LJPPSNJJHQAAGR-IBGZPJMESA-N 0 1 381.476 3.147 20 0 GGADMN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000157417067 1424007156 /nfs/dbraw/zinc/00/71/56/1424007156.db2.gz IAAIQEXRGDETFQ-GOSISDBHSA-N 0 1 388.556 3.294 20 0 GGADMN Cn1cnc2cc(C(=O)N[C@@H]3CCCN(Cc4cc(Cl)ccc4O)C3)ccc21 ZINC000157470788 1424018064 /nfs/dbraw/zinc/01/80/64/1424018064.db2.gz OSACDCJDOXTTGD-QGZVFWFLSA-N 0 1 398.894 3.327 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)[C@@H]3CCCC[C@@H]3C)ccc2NC1=O ZINC000180013303 1429691372 /nfs/dbraw/zinc/69/13/72/1429691372.db2.gz UQJAQRDVUUKOHL-SAKMYQHLSA-N 0 1 387.524 3.484 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(F)c(F)c3)ccc2NC1=O ZINC000180013390 1429691399 /nfs/dbraw/zinc/69/13/99/1429691399.db2.gz AYVLYBYCTZSLBW-PIGZYNQJSA-N 0 1 389.402 3.364 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)C(C)(C)F)cc2)n[nH]1 ZINC000157505368 1424025323 /nfs/dbraw/zinc/02/53/23/1424025323.db2.gz QEFJKUSIJUPEEN-UHFFFAOYSA-N 0 1 377.420 3.183 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)C(C)(C)F)cc2)n1 ZINC000157505368 1424025334 /nfs/dbraw/zinc/02/53/34/1424025334.db2.gz QEFJKUSIJUPEEN-UHFFFAOYSA-N 0 1 377.420 3.183 20 0 GGADMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000180020131 1429696841 /nfs/dbraw/zinc/69/68/41/1429696841.db2.gz IBISWYCDUHAGLF-KRWDZBQOSA-N 0 1 388.533 3.138 20 0 GGADMN CCC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821100341 1424030011 /nfs/dbraw/zinc/03/00/11/1424030011.db2.gz YQWAGNZOJKIXAS-CQSZACIVSA-N 0 1 382.443 3.245 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@](C)(O)c2ccccc2Cl)cc1 ZINC000157527782 1424030335 /nfs/dbraw/zinc/03/03/35/1424030335.db2.gz PYPRDJPGKSFEML-BEFAXECRSA-N 0 1 381.925 3.308 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000157528096 1424030923 /nfs/dbraw/zinc/03/09/23/1424030923.db2.gz PYPRDJPGKSFEML-DNVCBOLYSA-N 0 1 381.925 3.308 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@](C)(O)c2ccccc2Cl)cc1 ZINC000157528245 1424031072 /nfs/dbraw/zinc/03/10/72/1424031072.db2.gz PYPRDJPGKSFEML-HNAYVOBHSA-N 0 1 381.925 3.308 20 0 GGADMN COc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)N2CCCCC2)cc1 ZINC000157543591 1424034403 /nfs/dbraw/zinc/03/44/03/1424034403.db2.gz BTTHTEUPIGJUCP-JBACZVJFSA-N 0 1 389.540 3.025 20 0 GGADMN CC(C)NC(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000157563017 1424038434 /nfs/dbraw/zinc/03/84/34/1424038434.db2.gz SWNPDJLVJGFMTP-SFHVURJKSA-N 0 1 385.533 3.453 20 0 GGADMN COc1cccc([C@H]2[C@H](Nc3cccc(F)c3-c3nnn[n-]3)CC[N@H+]2C2CC2)c1 ZINC000826214972 1424038548 /nfs/dbraw/zinc/03/85/48/1424038548.db2.gz CBVWMQUXDXXPQH-QUCCMNQESA-N 0 1 394.454 3.404 20 0 GGADMN COc1ccc(=NNC(=O)N[C@H](C)Cc2ccccc2Br)[nH]c1 ZINC000157564235 1424039081 /nfs/dbraw/zinc/03/90/81/1424039081.db2.gz IGGXVJZMURLABC-LLVKDONJSA-N 0 1 379.258 3.110 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N(C)[C@@H](C)CC(C)C)ccc2NC1=O ZINC000180016645 1429693256 /nfs/dbraw/zinc/69/32/56/1429693256.db2.gz NONNAALMDIOQPF-DAYGRLMNSA-N 0 1 375.513 3.340 20 0 GGADMN Clc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC1 ZINC000737582881 1424041720 /nfs/dbraw/zinc/04/17/20/1424041720.db2.gz GZFQKFKCYQMIKO-LJQANCHMSA-N 0 1 382.899 3.447 20 0 GGADMN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157600481 1424046621 /nfs/dbraw/zinc/04/66/21/1424046621.db2.gz OTCOIZMOVZSYQE-UHFFFAOYSA-N 0 1 386.395 3.433 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCCN(c4ccccc4)CC3)n[nH]2)cc1 ZINC000157607921 1424048276 /nfs/dbraw/zinc/04/82/76/1424048276.db2.gz AAAFTPHOOGGONO-UHFFFAOYSA-N 0 1 376.460 3.438 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000157616778 1424049906 /nfs/dbraw/zinc/04/99/06/1424049906.db2.gz XJVMUPNGBNFKPJ-INIZCTEOSA-N 0 1 379.435 3.200 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(=O)oc4cc([O-])ccc34)ccc2NC1=O ZINC000180017281 1429694292 /nfs/dbraw/zinc/69/42/92/1429694292.db2.gz CZSCVCJQCLZWGU-SGTLLEGYSA-N 0 1 394.427 3.459 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(=O)oc4cc([O-])ccc34)ccc2NC1=O ZINC000180017262 1429694331 /nfs/dbraw/zinc/69/43/31/1429694331.db2.gz CZSCVCJQCLZWGU-KPZWWZAWSA-N 0 1 394.427 3.459 20 0 GGADMN CC[C@@H](C)OCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000157646407 1424056831 /nfs/dbraw/zinc/05/68/31/1424056831.db2.gz OSKZIVJGWUDDAE-HXUWFJFHSA-N 0 1 395.547 3.440 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ccc2NC1=O ZINC000180018785 1429695350 /nfs/dbraw/zinc/69/53/50/1429695350.db2.gz CDAKVEHCQXBSEQ-XQWZKXDRSA-N 0 1 387.524 3.388 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@H](C)[C@H]2C)CC1 ZINC000180018173 1429695414 /nfs/dbraw/zinc/69/54/14/1429695414.db2.gz XKEXLIWRBSYFLL-HUUCEWRRSA-N 0 1 380.920 3.123 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@@H](C)c2cccc(C)c2C)n1 ZINC000157697945 1424067267 /nfs/dbraw/zinc/06/72/67/1424067267.db2.gz XJPCTSVJHXXNJW-AWEZNQCLSA-N 0 1 375.494 3.155 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)NCc3ccccc3C)ccc2NC1=O ZINC000180018949 1429696014 /nfs/dbraw/zinc/69/60/14/1429696014.db2.gz WVAWNGWODPLLFO-DNVCBOLYSA-N 0 1 381.476 3.072 20 0 GGADMN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000157729535 1424076051 /nfs/dbraw/zinc/07/60/51/1424076051.db2.gz FVXOORDNANESST-UHFFFAOYSA-N 0 1 376.365 3.068 20 0 GGADMN CCO[C@H](C)c1nc(CN(C)CCN2CCN(c3ccccc3)CC2)cs1 ZINC000157783184 1424087415 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GGADMN CCOC(=O)C1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000158067853 1424155495 /nfs/dbraw/zinc/15/54/95/1424155495.db2.gz OSVWJUKJHQEJKD-UHFFFAOYSA-N 0 1 399.491 3.024 20 0 GGADMN FC(F)(F)Oc1ccc2c(c1)C[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001139854269 1424157669 /nfs/dbraw/zinc/15/76/69/1424157669.db2.gz HECAQBHEROWLBR-UHFFFAOYSA-N 0 1 375.354 3.324 20 0 GGADMN COc1ccc([C@H](C)CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000180040172 1429708364 /nfs/dbraw/zinc/70/83/64/1429708364.db2.gz JYGJHSHAYXHAHG-SBHAEUEKSA-N 0 1 387.568 3.111 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000180039818 1429708432 /nfs/dbraw/zinc/70/84/32/1429708432.db2.gz XVGZCJSQIMLEDY-IBGZPJMESA-N 0 1 387.568 3.207 20 0 GGADMN COc1ccccc1[C@@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000158093007 1424165524 /nfs/dbraw/zinc/16/55/24/1424165524.db2.gz NGTKKALRQITNIF-QGZVFWFLSA-N 0 1 389.517 3.357 20 0 GGADMN CCOCc1ccccc1CNC(=O)CN1CC[C@H](c2ccccc2OC)C1 ZINC000158094763 1424166650 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CCC[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736416460 1424181780 /nfs/dbraw/zinc/18/17/80/1424181780.db2.gz NVDFHWITATUTJK-OAQYLSRUSA-N 0 1 381.480 3.086 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(C(=O)N(C)C)c3)ccc2NC1=O ZINC000180031911 1429704412 /nfs/dbraw/zinc/70/44/12/1429704412.db2.gz LLRFQHNEECDKKG-AUUYWEPGSA-N 0 1 381.476 3.349 20 0 GGADMN CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000158186588 1424189140 /nfs/dbraw/zinc/18/91/40/1424189140.db2.gz SFYAAWOTEMHLHN-APWZRJJASA-N 0 1 379.932 3.107 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)C(=O)N1CCCCC1 ZINC000180032816 1429704806 /nfs/dbraw/zinc/70/48/06/1429704806.db2.gz KSOYZLUNOHADSS-AIUZKBQUSA-N 0 1 391.943 3.144 20 0 GGADMN C[C@H](NC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)C(=O)N1CCCCC1 ZINC000180032780 1429704821 /nfs/dbraw/zinc/70/48/21/1429704821.db2.gz KSOYZLUNOHADSS-BPQOCRPUSA-N 0 1 391.943 3.144 20 0 GGADMN COc1ccc([C@H](CNC(=O)NOCCC(F)(F)F)N2CCCC2)cc1 ZINC000158193209 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GGADMN CC(C)(C(N)=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000158232868 1424202112 /nfs/dbraw/zinc/20/21/12/1424202112.db2.gz JAACDVDVFAFJLC-UHFFFAOYSA-N 0 1 386.395 3.269 20 0 GGADMN CCOc1ccc([C@@H](NCCCNS(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000180034515 1429705754 /nfs/dbraw/zinc/70/57/54/1429705754.db2.gz RHZAJQWWZKWCLW-LJQANCHMSA-N 0 1 396.940 3.357 20 0 GGADMN Cc1ccc([C@H](C)[N@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822229521 1424203555 /nfs/dbraw/zinc/20/35/55/1424203555.db2.gz WJNJESBMRHTQEZ-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822229521 1424203560 /nfs/dbraw/zinc/20/35/60/1424203560.db2.gz WJNJESBMRHTQEZ-AWEZNQCLSA-N 0 1 375.436 3.418 20 0 GGADMN CCOc1ccc([C@H](NCCCNS(C)(=O)=O)c2ccccc2Cl)cc1 ZINC000180034502 1429705894 /nfs/dbraw/zinc/70/58/94/1429705894.db2.gz RHZAJQWWZKWCLW-IBGZPJMESA-N 0 1 396.940 3.357 20 0 GGADMN CCOc1cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1OC(F)F ZINC000158240151 1424204799 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3.474 20 0 GGADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000158307434 1424222477 /nfs/dbraw/zinc/22/24/77/1424222477.db2.gz JQVBJBVOGLRXNU-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000826183616 1429709249 /nfs/dbraw/zinc/70/92/49/1429709249.db2.gz VDQOLVREAVMWTH-HOTGVXAUSA-N 0 1 385.493 3.025 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)N2CCCC2)o1 ZINC000158314389 1424223852 /nfs/dbraw/zinc/22/38/52/1424223852.db2.gz OCAKKKMBILCYGI-IEBWSBKVSA-N 0 1 385.512 3.177 20 0 GGADMN CC(C)[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1F)c1ccc2c(c1)OCCO2 ZINC000824198247 1429709417 /nfs/dbraw/zinc/70/94/17/1429709417.db2.gz AFVFRNMWUFZDPT-IBGZPJMESA-N 0 1 383.427 3.264 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)NO[C@H]3CCCCO3)cc2Cl)CC1 ZINC000158318026 1424225431 /nfs/dbraw/zinc/22/54/31/1424225431.db2.gz FGIMTVUXBZMUQS-SFHVURJKSA-N 0 1 396.919 3.452 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)CCc3nc(-c4ncccn4)no3)c2C1 ZINC000158328810 1424227550 /nfs/dbraw/zinc/22/75/50/1424227550.db2.gz SNFXVNIJECEQPO-UHFFFAOYSA-N 0 1 392.463 3.070 20 0 GGADMN COc1cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc(Cl)c1OC ZINC000158334623 1424229227 /nfs/dbraw/zinc/22/92/27/1424229227.db2.gz MUZBIQYHHRZAII-GFCCVEGCSA-N 0 1 380.794 3.000 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cnn(CC(C)C)c2C)N2CCCC2)cc1 ZINC000158362043 1424236656 /nfs/dbraw/zinc/23/66/56/1424236656.db2.gz XNVAMDKHYJXTJY-OAQYLSRUSA-N 0 1 384.524 3.423 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)c2)CC1 ZINC000158368492 1424237836 /nfs/dbraw/zinc/23/78/36/1424237836.db2.gz JPCUOMFZPISMGR-GOTSBHOMSA-N 0 1 393.531 3.084 20 0 GGADMN Cc1cccc2c(=O)n(CC(=O)Nc3cccc4c3CN(CC(C)C)C4)cnc12 ZINC000158378377 1424240448 /nfs/dbraw/zinc/24/04/48/1424240448.db2.gz JQUSFDDSDZWYLG-UHFFFAOYSA-N 0 1 390.487 3.315 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)c2C1 ZINC000158380551 1424240506 /nfs/dbraw/zinc/24/05/06/1424240506.db2.gz XFZUKFIIPKXOMF-KRWDZBQOSA-N 0 1 381.476 3.238 20 0 GGADMN CC(C)C(=O)N1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000158382500 1424241197 /nfs/dbraw/zinc/24/11/97/1424241197.db2.gz QQNQMYIZAQMQRX-UHFFFAOYSA-N 0 1 376.888 3.123 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@]2(CCN([C@H](C(=O)NC3CC3)c3ccccc3)C2)C1 ZINC000158392208 1424243608 /nfs/dbraw/zinc/24/36/08/1424243608.db2.gz LFCQLNKCZSOPBM-CVDCTZTESA-N 0 1 399.535 3.339 20 0 GGADMN O=C([O-])[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000158398963 1424245087 /nfs/dbraw/zinc/24/50/87/1424245087.db2.gz QBNGUMWLFNUWPK-INIZCTEOSA-N 0 1 384.398 3.136 20 0 GGADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000158398963 1424245096 /nfs/dbraw/zinc/24/50/96/1424245096.db2.gz QBNGUMWLFNUWPK-INIZCTEOSA-N 0 1 384.398 3.136 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820939089 1429710906 /nfs/dbraw/zinc/71/09/06/1429710906.db2.gz QHVNEQUAVRKORG-LJQANCHMSA-N 0 1 384.434 3.418 20 0 GGADMN O=C(c1ccc(CCC(F)(F)F)cc1)N1CCC(CN2CCOCC2)CC1 ZINC000158419432 1424250130 /nfs/dbraw/zinc/25/01/30/1424250130.db2.gz ZLRCOOFGQCQXPP-UHFFFAOYSA-N 0 1 384.442 3.366 20 0 GGADMN Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c1Br ZINC000158426342 1424251687 /nfs/dbraw/zinc/25/16/87/1424251687.db2.gz NVWXGHJROWAOAS-UHFFFAOYSA-N 0 1 393.266 3.139 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)n[nH]1 ZINC000158441414 1424254997 /nfs/dbraw/zinc/25/49/97/1424254997.db2.gz INYNMXXULPVYIL-CYBMUJFWSA-N 0 1 399.495 3.242 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)n[nH]1 ZINC000158441558 1424255132 /nfs/dbraw/zinc/25/51/32/1424255132.db2.gz INYNMXXULPVYIL-ZDUSSCGKSA-N 0 1 399.495 3.242 20 0 GGADMN CC(C)CCOc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000735820449 1424256123 /nfs/dbraw/zinc/25/61/23/1424256123.db2.gz SEUKHAUPULMTKL-UHFFFAOYSA-N 0 1 391.479 3.229 20 0 GGADMN CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCC[NH+](C)C)c2)c1 ZINC000158449882 1424258795 /nfs/dbraw/zinc/25/87/95/1424258795.db2.gz USCBODRZUZBWPG-UHFFFAOYSA-N 0 1 390.505 3.411 20 0 GGADMN C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180048427 1429713033 /nfs/dbraw/zinc/71/30/33/1429713033.db2.gz JLDVDJXGSMZZCR-SWLSCSKDSA-N 0 1 377.847 3.456 20 0 GGADMN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1nnc2ccccc2c1O ZINC000158510912 1424275938 /nfs/dbraw/zinc/27/59/38/1424275938.db2.gz ZXXIJHIOBQYXGY-UHFFFAOYSA-N 0 1 387.443 3.162 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccsc1 ZINC000821181613 1424287508 /nfs/dbraw/zinc/28/75/08/1424287508.db2.gz NIMDMQZBBQXYJU-KRWDZBQOSA-N 0 1 399.524 3.441 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000158565579 1424290804 /nfs/dbraw/zinc/29/08/04/1424290804.db2.gz RFUQKUDGYIOYIQ-ZWKOTPCHSA-N 0 1 388.533 3.473 20 0 GGADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2nnc(C(F)F)n2c1 ZINC000158564718 1424291225 /nfs/dbraw/zinc/29/12/25/1424291225.db2.gz HENHSRBZVXIECL-MRXNPFEDSA-N 0 1 385.418 3.061 20 0 GGADMN CC[C@@H](CC(=O)Nc1ccc(N2CCN(C)CC2)cn1)c1ccc(OC)cc1 ZINC000158579386 1424295066 /nfs/dbraw/zinc/29/50/66/1424295066.db2.gz RHEGWDAFHDBSGM-KRWDZBQOSA-N 0 1 382.508 3.364 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000158585720 1424295683 /nfs/dbraw/zinc/29/56/83/1424295683.db2.gz VUPQGQIUUMVRRW-PKTZIBPZSA-N 0 1 393.531 3.084 20 0 GGADMN CC(C)Oc1cccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000158588876 1424296788 /nfs/dbraw/zinc/29/67/88/1424296788.db2.gz QSFGUPXTNXUSPY-FYYLOGMGSA-N 0 1 396.531 3.016 20 0 GGADMN COc1ccc(-c2cc(C(=O)N(C)[C@H](CCO)c3ccccc3)n[nH]2)cc1OC ZINC000158589499 1424296948 /nfs/dbraw/zinc/29/69/48/1424296948.db2.gz HEKADNLZOXXOEG-LJQANCHMSA-N 0 1 395.459 3.290 20 0 GGADMN CC(C)Oc1ccccc1CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158591516 1424297584 /nfs/dbraw/zinc/29/75/84/1424297584.db2.gz TXYFUWRQWAQYCW-YADHBBJMSA-N 0 1 396.531 3.016 20 0 GGADMN COc1ccc(C[C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821787722 1424297993 /nfs/dbraw/zinc/29/79/93/1424297993.db2.gz YMZSSPPWHKQNNN-OAHLLOKOSA-N 0 1 383.521 3.329 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000158596517 1424298330 /nfs/dbraw/zinc/29/83/30/1424298330.db2.gz FQQGOJCFYUGKML-CVEARBPZSA-N 0 1 392.496 3.303 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158608657 1424301110 /nfs/dbraw/zinc/30/11/10/1424301110.db2.gz YQBZSIBIPDOWGS-UHFFFAOYSA-N 0 1 379.932 3.495 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@H](C)CS(=O)(=O)c3ccc(C)cc3)c(C)n2n1 ZINC000158621909 1424303158 /nfs/dbraw/zinc/30/31/58/1424303158.db2.gz LEAKLSCYOMNIOU-HZPDHXFCSA-N 0 1 386.521 3.168 20 0 GGADMN Cc1cc2ncc([C@@H](C)N[C@@H](C)CS(=O)(=O)c3ccc(C)cc3)c(C)n2n1 ZINC000158622054 1424303608 /nfs/dbraw/zinc/30/36/08/1424303608.db2.gz LEAKLSCYOMNIOU-JKSUJKDBSA-N 0 1 386.521 3.168 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000737033860 1424309644 /nfs/dbraw/zinc/30/96/44/1424309644.db2.gz ZZXUPVMSXXMLAW-INIZCTEOSA-N 0 1 383.452 3.464 20 0 GGADMN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)cc1 ZINC000158655431 1424311307 /nfs/dbraw/zinc/31/13/07/1424311307.db2.gz VHPQJVMUOSCCFZ-ZNLUXHQJSA-N 0 1 384.495 3.319 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1ccc2nnc(C(F)F)n2c1)c1ccco1 ZINC000158677708 1424316572 /nfs/dbraw/zinc/31/65/72/1424316572.db2.gz YFQJWICOPLMCCW-ZDUSSCGKSA-N 0 1 377.395 3.073 20 0 GGADMN Cc1cc2ncn(C[C@H](O)CN3CCO[C@]4(CCc5ccccc54)C3)c2cc1C ZINC000158682948 1424318753 /nfs/dbraw/zinc/31/87/53/1424318753.db2.gz ZDEBBLQKEIVCBT-HYBUGGRVSA-N 0 1 391.515 3.188 20 0 GGADMN C[C@H]1C[C@@H](NCc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658934 1424319111 /nfs/dbraw/zinc/31/91/11/1424319111.db2.gz VKWJAANPNFKIRK-KXBFYZLASA-N 0 1 380.471 3.149 20 0 GGADMN C[C@H]1C[C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000820658934 1424319117 /nfs/dbraw/zinc/31/91/17/1424319117.db2.gz VKWJAANPNFKIRK-KXBFYZLASA-N 0 1 380.471 3.149 20 0 GGADMN C[C@H]1C[C@@H](NCc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658934 1424319122 /nfs/dbraw/zinc/31/91/22/1424319122.db2.gz VKWJAANPNFKIRK-KXBFYZLASA-N 0 1 380.471 3.149 20 0 GGADMN Cc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(C(=O)c3ccco3)CC2)o1 ZINC000158685468 1424319560 /nfs/dbraw/zinc/31/95/60/1424319560.db2.gz OCVIHGIZNYLAQD-SFHVURJKSA-N 0 1 399.491 3.083 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737090091 1424319934 /nfs/dbraw/zinc/31/99/34/1424319934.db2.gz AQHJCDQUISPBNI-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN COc1ccc(C[N@@H+]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737090091 1424319941 /nfs/dbraw/zinc/31/99/41/1424319941.db2.gz AQHJCDQUISPBNI-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737090091 1424319947 /nfs/dbraw/zinc/31/99/47/1424319947.db2.gz AQHJCDQUISPBNI-UHFFFAOYSA-N 0 1 398.898 3.241 20 0 GGADMN Cc1cnccc1CCNC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000158711689 1424324529 /nfs/dbraw/zinc/32/45/29/1424324529.db2.gz JSUIBZXLJFJPLT-OALUTQOASA-N 0 1 396.535 3.041 20 0 GGADMN C[C@H](NCc1cccnc1N1CCN(C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180057902 1429717559 /nfs/dbraw/zinc/71/75/59/1429717559.db2.gz PITFAZDAXARTSB-HNNXBMFYSA-N 0 1 398.942 3.224 20 0 GGADMN COc1ccc(CCCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000158719134 1424326129 /nfs/dbraw/zinc/32/61/29/1424326129.db2.gz UPRGIOPMILIONS-GGAORHGYSA-N 0 1 396.531 3.017 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc3nnc(C(F)F)n3c2)N2CCCC2)o1 ZINC000158720317 1424327170 /nfs/dbraw/zinc/32/71/70/1424327170.db2.gz JGZIHUHJLOLGFS-CQSZACIVSA-N 0 1 389.406 3.135 20 0 GGADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)[C@H]1SCCc2ccccc21 ZINC000158727855 1424328359 /nfs/dbraw/zinc/32/83/59/1424328359.db2.gz QQORXNJOBSWMKZ-NNWRFLSQSA-N 0 1 396.556 3.016 20 0 GGADMN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000158734892 1424330227 /nfs/dbraw/zinc/33/02/27/1424330227.db2.gz BNBYFZWDAGHFRB-CTNGQTDRSA-N 0 1 382.552 3.476 20 0 GGADMN COc1ccccc1-c1nnc(CN2CCN(CCc3ccccc3)CC2)o1 ZINC000158744212 1424332527 /nfs/dbraw/zinc/33/25/27/1424332527.db2.gz DIYKVPUIQXENGG-UHFFFAOYSA-N 0 1 378.476 3.106 20 0 GGADMN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000158742305 1424332552 /nfs/dbraw/zinc/33/25/52/1424332552.db2.gz AUXUNLAWRQPYLP-AUSIDOKSSA-N 0 1 391.515 3.018 20 0 GGADMN Cc1cc(NC(=O)N2CCN(CC3CCOCC3)CC2)nn1-c1ccc(C)cc1 ZINC000180060074 1429718074 /nfs/dbraw/zinc/71/80/74/1429718074.db2.gz NPKKLDJVSQSEGG-UHFFFAOYSA-N 0 1 397.523 3.065 20 0 GGADMN CCOc1ccc(CCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000158745542 1424333296 /nfs/dbraw/zinc/33/32/96/1424333296.db2.gz VFKZXQTWEACKIJ-GGAORHGYSA-N 0 1 396.531 3.017 20 0 GGADMN C[C@@H](C1CC1)N(C(=O)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1 ZINC000158754146 1424335191 /nfs/dbraw/zinc/33/51/91/1424335191.db2.gz MVBQTUPBPRMBDN-AOMKIAJQSA-N 0 1 391.556 3.109 20 0 GGADMN CCOc1cc(CN2CCC[C@@H](O)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000158760816 1424336489 /nfs/dbraw/zinc/33/64/89/1424336489.db2.gz KPVUUPJUEJDULQ-LJQANCHMSA-N 0 1 384.476 3.060 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000158779119 1424340081 /nfs/dbraw/zinc/34/00/81/1424340081.db2.gz XGTRQZGAGQLEBA-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN Cc1cccc(F)c1NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000158787276 1424342485 /nfs/dbraw/zinc/34/24/85/1424342485.db2.gz AJYTWRDIBRNOMQ-MRXNPFEDSA-N 0 1 377.847 3.145 20 0 GGADMN O=S(=O)(NC[C@@H](O)c1ccc2ccccc2c1)c1c(F)cc(F)cc1F ZINC000158793798 1424342954 /nfs/dbraw/zinc/34/29/54/1424342954.db2.gz CSYZZQRYENHJKX-QGZVFWFLSA-N 0 1 381.375 3.269 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(F)cc1 ZINC000824427045 1424344165 /nfs/dbraw/zinc/34/41/65/1424344165.db2.gz KKGDCKPRCPSCBK-INIZCTEOSA-N 0 1 394.498 3.364 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)c1ccccc1Cl ZINC000158798691 1424344309 /nfs/dbraw/zinc/34/43/09/1424344309.db2.gz RGZVELYSNJRLAU-SFHVURJKSA-N 0 1 375.904 3.008 20 0 GGADMN CCN(CC)[C@H](CNC(=O)Cn1cc(C2CC2)nn1)c1ccccc1Cl ZINC000158798860 1424344482 /nfs/dbraw/zinc/34/44/82/1424344482.db2.gz RGZVELYSNJRLAU-GOSISDBHSA-N 0 1 375.904 3.008 20 0 GGADMN Cc1nnc(SCC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)[nH]1 ZINC000158796999 1424344623 /nfs/dbraw/zinc/34/46/23/1424344623.db2.gz NGSNKOWEQWAUAG-IBGZPJMESA-N 0 1 396.516 3.276 20 0 GGADMN Cc1n[nH]c(SCC(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)n1 ZINC000158796999 1424344628 /nfs/dbraw/zinc/34/46/28/1424344628.db2.gz NGSNKOWEQWAUAG-IBGZPJMESA-N 0 1 396.516 3.276 20 0 GGADMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)cc1Cl ZINC000158800991 1424345505 /nfs/dbraw/zinc/34/55/05/1424345505.db2.gz MGFDAVVDMIXMKA-HZSPNIEDSA-N 0 1 376.840 3.247 20 0 GGADMN C[C@H](CCc1ccccc1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824406621 1424349910 /nfs/dbraw/zinc/34/99/10/1424349910.db2.gz OKYHVYZMTDRSML-GOSISDBHSA-N 0 1 390.535 3.442 20 0 GGADMN Cc1cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)nn1-c1ccc(C)cc1 ZINC000180061838 1429719715 /nfs/dbraw/zinc/71/97/15/1429719715.db2.gz IRUGFHHWSJFNME-IBGZPJMESA-N 0 1 397.523 3.065 20 0 GGADMN Cc1nnc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)[nH]1 ZINC000158838266 1424354485 /nfs/dbraw/zinc/35/44/85/1424354485.db2.gz ARIKQDPFLXKLPG-UHFFFAOYSA-N 0 1 398.263 3.248 20 0 GGADMN Cc1n[nH]c(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1 ZINC000158838266 1424354494 /nfs/dbraw/zinc/35/44/94/1424354494.db2.gz ARIKQDPFLXKLPG-UHFFFAOYSA-N 0 1 398.263 3.248 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cccc(C3OCCO3)c2)N2CCCC2)cc1 ZINC000158846044 1424355865 /nfs/dbraw/zinc/35/58/65/1424355865.db2.gz SWEVZQWGEUIYOH-OAQYLSRUSA-N 0 1 396.487 3.308 20 0 GGADMN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000158853488 1424357826 /nfs/dbraw/zinc/35/78/26/1424357826.db2.gz HEXYOPRFQRSVER-WBVHZDCISA-N 0 1 385.895 3.366 20 0 GGADMN CCC[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1nnc2ccccn21 ZINC000158864005 1424359166 /nfs/dbraw/zinc/35/91/66/1424359166.db2.gz ODCBDLMJPVWHLC-MSOLQXFVSA-N 0 1 398.486 3.312 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)n[nH]2)c1 ZINC000158917735 1424372447 /nfs/dbraw/zinc/37/24/47/1424372447.db2.gz QFIUALSIPBBIDR-IBGZPJMESA-N 0 1 392.459 3.302 20 0 GGADMN CC(C)(C)[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000158923720 1424373936 /nfs/dbraw/zinc/37/39/36/1424373936.db2.gz YCJSBJAYGRAPFI-QGZVFWFLSA-N 0 1 396.459 3.251 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)Cc3csc(-c4ccoc4)n3)n2)cc1 ZINC000158932136 1424375355 /nfs/dbraw/zinc/37/53/55/1424375355.db2.gz JFVCJSGUUBOITF-UHFFFAOYSA-N 0 1 395.444 3.056 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)Cc3csc(-c4ccoc4)n3)n[nH]2)cc1 ZINC000158932136 1424375365 /nfs/dbraw/zinc/37/53/65/1424375365.db2.gz JFVCJSGUUBOITF-UHFFFAOYSA-N 0 1 395.444 3.056 20 0 GGADMN CC[C@H](C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)N(C)C ZINC000158941691 1424377832 /nfs/dbraw/zinc/37/78/32/1424377832.db2.gz DDJAQTHFJXRFMK-HXUWFJFHSA-N 0 1 379.504 3.487 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000159001791 1424392515 /nfs/dbraw/zinc/39/25/15/1424392515.db2.gz TYVHLQIOWLEIHD-HXUWFJFHSA-N 0 1 390.459 3.355 20 0 GGADMN CN(C[C@@H]1CCC[C@H]1O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000159023832 1424398542 /nfs/dbraw/zinc/39/85/42/1424398542.db2.gz XPNMAZZHGCEFMG-YTQUADARSA-N 0 1 379.932 3.279 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)c1cccc(F)c1 ZINC000159071643 1424410464 /nfs/dbraw/zinc/41/04/64/1424410464.db2.gz JCMJUGGHAQOSJM-HNNXBMFYSA-N 0 1 385.361 3.195 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)c1cccc(F)c1 ZINC000159071805 1424410535 /nfs/dbraw/zinc/41/05/35/1424410535.db2.gz JCMJUGGHAQOSJM-OAHLLOKOSA-N 0 1 385.361 3.195 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)NC[C@@H](c3cccs3)N(C)C)[nH]2)c1 ZINC000159079819 1424412166 /nfs/dbraw/zinc/41/21/66/1424412166.db2.gz XGYHHPSNPRZGSA-INIZCTEOSA-N 0 1 384.505 3.488 20 0 GGADMN CCS(=O)(=O)c1cccc(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC000159085541 1424413823 /nfs/dbraw/zinc/41/38/23/1424413823.db2.gz WOCCNIQLLSJSDH-LJQANCHMSA-N 0 1 398.528 3.034 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159113262 1424420190 /nfs/dbraw/zinc/42/01/90/1424420190.db2.gz OWJQJPKQCGKXEF-GOSISDBHSA-N 0 1 398.576 3.019 20 0 GGADMN COc1ccc(CCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826192661 1424423249 /nfs/dbraw/zinc/42/32/49/1424423249.db2.gz VZEFEPFEXXEPSJ-IBGZPJMESA-N 0 1 393.491 3.484 20 0 GGADMN CCC[C@H](NC(=O)[C@H](C)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000159131072 1424424301 /nfs/dbraw/zinc/42/43/01/1424424301.db2.gz QHYHTGNYHKBNFI-YYWHXJBOSA-N 0 1 398.551 3.212 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CCO)c2ccccc2)CC1 ZINC000159133977 1424425227 /nfs/dbraw/zinc/42/52/27/1424425227.db2.gz LJHCFEKEYWJLMP-LAUBAEHRSA-N 0 1 382.508 3.030 20 0 GGADMN CC(C)Sc1ccccc1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159172562 1424434598 /nfs/dbraw/zinc/43/45/98/1424434598.db2.gz GTXLOYBMORHYRP-LJQANCHMSA-N 0 1 384.545 3.336 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000159171928 1424434737 /nfs/dbraw/zinc/43/47/37/1424434737.db2.gz RVSBKLVOOJQVLW-SFHVURJKSA-N 0 1 386.521 3.307 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC2(c3cccc(OC)c3)CC2)N(C)C)c1 ZINC000159175747 1424435276 /nfs/dbraw/zinc/43/52/76/1424435276.db2.gz OYUFLYWYZAQACY-HXUWFJFHSA-N 0 1 383.492 3.295 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC2(c3cccc(OC)c3)CC2)N(C)C)c1 ZINC000159175610 1424435415 /nfs/dbraw/zinc/43/54/15/1424435415.db2.gz OYUFLYWYZAQACY-FQEVSTJZSA-N 0 1 383.492 3.295 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(-c2ccccc2F)o1 ZINC000159185054 1424437696 /nfs/dbraw/zinc/43/76/96/1424437696.db2.gz JKTLCNKKLVHOHG-GOSISDBHSA-N 0 1 394.446 3.235 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2)CC1 ZINC000159203995 1424441853 /nfs/dbraw/zinc/44/18/53/1424441853.db2.gz PRYWCYGLBYLJFE-UHFFFAOYSA-N 0 1 381.524 3.240 20 0 GGADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(OC)cc2F)cc1OC ZINC000159219045 1424445848 /nfs/dbraw/zinc/44/58/48/1424445848.db2.gz AOYUJYYKMMIYPF-AWEZNQCLSA-N 0 1 390.455 3.209 20 0 GGADMN C[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655769 1429727070 /nfs/dbraw/zinc/72/70/70/1429727070.db2.gz CBIXENYDRVZSBY-HOCLYGCPSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655769 1429727074 /nfs/dbraw/zinc/72/70/74/1429727074.db2.gz CBIXENYDRVZSBY-HOCLYGCPSA-N 0 1 397.914 3.404 20 0 GGADMN C[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655769 1429727081 /nfs/dbraw/zinc/72/70/81/1429727081.db2.gz CBIXENYDRVZSBY-HOCLYGCPSA-N 0 1 397.914 3.404 20 0 GGADMN CCOCCN1CCN(Cn2nc(-c3ccc(C)cc3)n(CC)c2=S)CC1 ZINC000159231152 1424452459 /nfs/dbraw/zinc/45/24/59/1424452459.db2.gz PMJONGZYRIPQED-UHFFFAOYSA-N 0 1 389.569 3.021 20 0 GGADMN Cc1cccc(-n2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)nn2)c1 ZINC000159238680 1424454681 /nfs/dbraw/zinc/45/46/81/1424454681.db2.gz DOUWBPVIOPEDKF-GOSISDBHSA-N 0 1 381.505 3.204 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(SC(F)F)cc1 ZINC000159244485 1424457177 /nfs/dbraw/zinc/45/71/77/1424457177.db2.gz OUFSYOAZSHVOIZ-QGZVFWFLSA-N 0 1 392.471 3.150 20 0 GGADMN CCN(c1ccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)cc1)C(C)C ZINC000159257118 1424461909 /nfs/dbraw/zinc/46/19/09/1424461909.db2.gz OSLVKDWYHIJJQC-UHFFFAOYSA-N 0 1 393.491 3.361 20 0 GGADMN CCCC1(CNC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCC1 ZINC000159287271 1424473429 /nfs/dbraw/zinc/47/34/29/1424473429.db2.gz SDPHQUREZWFPQT-UHFFFAOYSA-N 0 1 389.565 3.261 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000737547387 1424473903 /nfs/dbraw/zinc/47/39/03/1424473903.db2.gz KBNHCKCWGSAQEB-JSGCOSHPSA-N 0 1 382.468 3.139 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)C[C@H](C)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159291618 1424475099 /nfs/dbraw/zinc/47/50/99/1424475099.db2.gz VZLDIRHILHTQIB-LPHOPBHVSA-N 0 1 397.485 3.437 20 0 GGADMN C[N@@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826023242 1424475471 /nfs/dbraw/zinc/47/54/71/1424475471.db2.gz ZPNSLHABMDEUJS-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN C[N@H+]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826023242 1424475475 /nfs/dbraw/zinc/47/54/75/1424475475.db2.gz ZPNSLHABMDEUJS-PXAZEXFGSA-N 0 1 387.850 3.159 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159298713 1424477695 /nfs/dbraw/zinc/47/76/95/1424477695.db2.gz APSMSSGKICWOML-VQIMIIECSA-N 0 1 397.485 3.122 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000159298566 1424478129 /nfs/dbraw/zinc/47/81/29/1424478129.db2.gz APSMSSGKICWOML-LPHOPBHVSA-N 0 1 397.485 3.122 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)Cc3cc(-c4ccccc4)on3)[nH]c21 ZINC000159300130 1424478147 /nfs/dbraw/zinc/47/81/47/1424478147.db2.gz OYJLEQPGOPNFFL-UHFFFAOYSA-N 0 1 376.372 3.186 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)NCc3nc4cccc(C)c4[nH]3)cc21 ZINC000159310280 1424480564 /nfs/dbraw/zinc/48/05/64/1424480564.db2.gz HWPJOCLFGHDSGH-UHFFFAOYSA-N 0 1 389.459 3.491 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCc3ccc(Cl)nc3)n2)cc1 ZINC000159316078 1424482427 /nfs/dbraw/zinc/48/24/27/1424482427.db2.gz BLPYEXVCPULYCK-UHFFFAOYSA-N 0 1 387.896 3.280 20 0 GGADMN O=C(NC[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1)Nc1cccc(F)c1 ZINC000159342741 1424490839 /nfs/dbraw/zinc/49/08/39/1424490839.db2.gz KSUFMGUXIXIMQX-CQSZACIVSA-N 0 1 395.438 3.376 20 0 GGADMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)n(-c2ccccc2)n1 ZINC000159349257 1424492388 /nfs/dbraw/zinc/49/23/88/1424492388.db2.gz QPCKJGQYXCWNJX-OAHLLOKOSA-N 0 1 386.459 3.327 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000159350649 1424493236 /nfs/dbraw/zinc/49/32/36/1424493236.db2.gz SHQOMVWCXNUKIE-UHFFFAOYSA-N 0 1 380.448 3.223 20 0 GGADMN COc1ccc(-c2n[nH]c(S[C@H]3CCCN(CC(F)(F)F)C3=O)n2)cc1 ZINC000159353286 1424494291 /nfs/dbraw/zinc/49/42/91/1424494291.db2.gz UDZRSBGBEWTYKM-LBPRGKRZSA-N 0 1 386.399 3.126 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000736556514 1424506843 /nfs/dbraw/zinc/50/68/43/1424506843.db2.gz WRJGCFNBRDRRKA-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000736556514 1424506855 /nfs/dbraw/zinc/50/68/55/1424506855.db2.gz WRJGCFNBRDRRKA-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000736556514 1424506860 /nfs/dbraw/zinc/50/68/60/1424506860.db2.gz WRJGCFNBRDRRKA-UHFFFAOYSA-N 0 1 379.464 3.454 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@](C)(O)c1ccccc1Cl)c1cccc(F)c1 ZINC000159493146 1424507196 /nfs/dbraw/zinc/50/71/96/1424507196.db2.gz DVZAWOZAFYRKHA-QUCCMNQESA-N 0 1 393.890 3.289 20 0 GGADMN Cc1ccc(N2CC[C@H](N3CCC(C(=O)Nc4ccc(C)cn4)CC3)C2=O)cc1 ZINC000159525497 1424510742 /nfs/dbraw/zinc/51/07/42/1424510742.db2.gz WPQUKQIZZWGPPV-FQEVSTJZSA-N 0 1 392.503 3.154 20 0 GGADMN CN(C)[C@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000159649821 1424521251 /nfs/dbraw/zinc/52/12/51/1424521251.db2.gz GPAUWPNYFBKHLL-LSDHHAIUSA-N 0 1 381.542 3.114 20 0 GGADMN CC(C)(C)C(=O)N1CCC(CN2CCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC000159714215 1424526458 /nfs/dbraw/zinc/52/64/58/1424526458.db2.gz MOUQPRASGCKUTB-FQEVSTJZSA-N 0 1 386.536 3.479 20 0 GGADMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000159870038 1424546117 /nfs/dbraw/zinc/54/61/17/1424546117.db2.gz DETYJEYUJFLOQD-HNAYVOBHSA-N 0 1 387.455 3.226 20 0 GGADMN CCN(C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000159881368 1424547876 /nfs/dbraw/zinc/54/78/76/1424547876.db2.gz PIDSQGBWEDCUIT-LPHOPBHVSA-N 0 1 386.492 3.395 20 0 GGADMN COc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c(OC)c1OC ZINC000159938742 1424554559 /nfs/dbraw/zinc/55/45/59/1424554559.db2.gz LEPFLOHJJRYNMF-IBGZPJMESA-N 0 1 398.503 3.036 20 0 GGADMN CCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1OC ZINC000159938468 1424554618 /nfs/dbraw/zinc/55/46/18/1424554618.db2.gz RRFDFMMLZHJIFA-FQEVSTJZSA-N 0 1 382.504 3.417 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180094940 1429735156 /nfs/dbraw/zinc/73/51/56/1429735156.db2.gz LHLAIEAIKOPVPX-CQSZACIVSA-N 0 1 378.394 3.404 20 0 GGADMN CCNC(=O)COc1ccc(CNCc2cc(Cl)ccc2F)cc1OC ZINC000160013349 1424563057 /nfs/dbraw/zinc/56/30/57/1424563057.db2.gz SRZIJTBCTYFMBN-UHFFFAOYSA-N 0 1 380.847 3.292 20 0 GGADMN CC(C)Oc1ccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cn1 ZINC000160055531 1424568359 /nfs/dbraw/zinc/56/83/59/1424568359.db2.gz YXRMSIAPHSHMDY-INIZCTEOSA-N 0 1 389.521 3.260 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1-c1nnn[n-]1 ZINC000821808860 1424571799 /nfs/dbraw/zinc/57/17/99/1424571799.db2.gz KLYRLUWWQBVBDU-CYBMUJFWSA-N 0 1 392.246 3.405 20 0 GGADMN COc1cccc([C@H](O)C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000160163799 1424582526 /nfs/dbraw/zinc/58/25/26/1424582526.db2.gz RBQYUMAJMICCPR-UNMCSNQZSA-N 0 1 398.503 3.081 20 0 GGADMN C[C@H]1OCC[N@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000825021254 1424583673 /nfs/dbraw/zinc/58/36/73/1424583673.db2.gz PKWHHPJUYNGYPC-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@H]1OCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[C@H]1C ZINC000825021254 1424583680 /nfs/dbraw/zinc/58/36/80/1424583680.db2.gz PKWHHPJUYNGYPC-JKSUJKDBSA-N 0 1 379.464 3.055 20 0 GGADMN CC(C)(C)C(=O)N1CCC(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000160214234 1424588478 /nfs/dbraw/zinc/58/84/78/1424588478.db2.gz MAIHQRSEDXDFKP-SFTDATJTSA-N 0 1 388.552 3.096 20 0 GGADMN C[N@H+]1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1cccs1 ZINC000821623135 1424589799 /nfs/dbraw/zinc/58/97/99/1424589799.db2.gz DOVDNHVHRRTWOM-IAQYHMDHSA-N 0 1 389.916 3.472 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000180101800 1429738453 /nfs/dbraw/zinc/73/84/53/1429738453.db2.gz NRZVKYVEHKITLG-IZZDOVSWSA-N 0 1 381.476 3.195 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1cccc(O)c1 ZINC000180101754 1429738546 /nfs/dbraw/zinc/73/85/46/1429738546.db2.gz REZQGCAADXXLHP-JXMROGBWSA-N 0 1 381.476 3.195 20 0 GGADMN COc1ccc(C(F)(F)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000160374322 1424599369 /nfs/dbraw/zinc/59/93/69/1424599369.db2.gz VBLGWACXKORPMR-SFHVURJKSA-N 0 1 378.419 3.215 20 0 GGADMN COc1cc(C)c([C@H](C)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826178239 1424600830 /nfs/dbraw/zinc/60/08/30/1424600830.db2.gz PICBYZUHKKJUMN-HNNXBMFYSA-N 0 1 397.479 3.312 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)n2)o1 ZINC000160427033 1424602894 /nfs/dbraw/zinc/60/28/94/1424602894.db2.gz LNCNAEYMUPPVHH-UHFFFAOYSA-N 0 1 389.456 3.349 20 0 GGADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736227261 1424603647 /nfs/dbraw/zinc/60/36/47/1424603647.db2.gz KODHGIVRYWPKMO-HOTGVXAUSA-N 0 1 377.496 3.352 20 0 GGADMN CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824270345 1424605143 /nfs/dbraw/zinc/60/51/43/1424605143.db2.gz CIMHRFRPJGSZQV-IERDGZPVSA-N 0 1 395.507 3.218 20 0 GGADMN CC[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1F ZINC000825139038 1424609846 /nfs/dbraw/zinc/60/98/46/1424609846.db2.gz AHAYPWCFOLQPGC-SFHVURJKSA-N 0 1 381.459 3.111 20 0 GGADMN C[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000736265364 1424612207 /nfs/dbraw/zinc/61/22/07/1424612207.db2.gz ISJFRASXLZMUKV-NEPJUHHUSA-N 0 1 387.438 3.225 20 0 GGADMN C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000736265364 1424612214 /nfs/dbraw/zinc/61/22/14/1424612214.db2.gz ISJFRASXLZMUKV-NEPJUHHUSA-N 0 1 387.438 3.225 20 0 GGADMN C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000736265364 1424612217 /nfs/dbraw/zinc/61/22/17/1424612217.db2.gz ISJFRASXLZMUKV-NEPJUHHUSA-N 0 1 387.438 3.225 20 0 GGADMN CC1CCN(CC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000160600930 1424619044 /nfs/dbraw/zinc/61/90/44/1424619044.db2.gz HTMFJTYYVNSFKX-QFIPXVFZSA-N 0 1 382.504 3.147 20 0 GGADMN CN(CCNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000160733455 1424630919 /nfs/dbraw/zinc/63/09/19/1424630919.db2.gz UPJBCASOGWKJTK-KRWDZBQOSA-N 0 1 393.503 3.021 20 0 GGADMN C[C@@H]1CCC[C@H]([NH+]2CCC(NC3(c4cccc(-c5nnn[n-]5)c4)CC3)CC2)C1 ZINC000824930001 1424631444 /nfs/dbraw/zinc/63/14/44/1424631444.db2.gz ZDMBIMKZRQGZSH-UZLBHIALSA-N 0 1 380.540 3.489 20 0 GGADMN CC[N@@H+](CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000825395543 1424631927 /nfs/dbraw/zinc/63/19/27/1424631927.db2.gz RFTYNVKDWCJZLZ-OAHLLOKOSA-N 0 1 390.491 3.195 20 0 GGADMN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000160785368 1424634731 /nfs/dbraw/zinc/63/47/31/1424634731.db2.gz AJAUHIFUYCDMOG-DTQAZKPQSA-N 0 1 384.911 3.207 20 0 GGADMN CCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)o1 ZINC000825703939 1424641279 /nfs/dbraw/zinc/64/12/79/1424641279.db2.gz AHABGPGKOSJMDO-INIZCTEOSA-N 0 1 381.436 3.146 20 0 GGADMN CCC[C@H](NCc1cn(C)nc1CC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000180116500 1429744505 /nfs/dbraw/zinc/74/45/05/1429744505.db2.gz YLVNIBOZGSIVMX-NRFANRHFSA-N 0 1 383.540 3.480 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000161108166 1424658995 /nfs/dbraw/zinc/65/89/95/1424658995.db2.gz WLNPQICOVVSKRD-UZLBHIALSA-N 0 1 387.911 3.158 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000161108061 1424658999 /nfs/dbraw/zinc/65/89/99/1424658999.db2.gz WLNPQICOVVSKRD-JXFKEZNVSA-N 0 1 387.911 3.158 20 0 GGADMN O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823323218 1424662279 /nfs/dbraw/zinc/66/22/79/1424662279.db2.gz HDTIIPVPXGRMJR-UHFFFAOYSA-N 0 1 398.417 3.036 20 0 GGADMN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824545988 1424667375 /nfs/dbraw/zinc/66/73/75/1424667375.db2.gz FZJWIUNGCHMGLZ-NXXSPTCGSA-N 0 1 384.434 3.241 20 0 GGADMN CNc1nc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cs1 ZINC000161216411 1424667891 /nfs/dbraw/zinc/66/78/91/1424667891.db2.gz MNCIUDPDENPZRT-UHFFFAOYSA-N 0 1 387.509 3.252 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)n[nH]1 ZINC000161237597 1424668972 /nfs/dbraw/zinc/66/89/72/1424668972.db2.gz RTGCQPHEFTWZKM-JTQLQIEISA-N 0 1 375.835 3.366 20 0 GGADMN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000161261255 1424671014 /nfs/dbraw/zinc/67/10/14/1424671014.db2.gz QZCNROFVTXARPE-UHFFFAOYSA-N 0 1 381.399 3.434 20 0 GGADMN COc1ccc(Br)c(S(=O)(=O)Nc2cc(F)cc(OC)c2)c1 ZINC000161265223 1424671873 /nfs/dbraw/zinc/67/18/73/1424671873.db2.gz MMYJCZFPZCLWSH-UHFFFAOYSA-N 0 1 390.230 3.406 20 0 GGADMN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161283595 1424672915 /nfs/dbraw/zinc/67/29/15/1424672915.db2.gz VVMBCWAWHDMSKR-MRXNPFEDSA-N 0 1 381.561 3.212 20 0 GGADMN CCc1nn(C)c(CC)c1CNCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000161435009 1424688922 /nfs/dbraw/zinc/68/89/22/1424688922.db2.gz UHJFRCNBFUFTRX-UHFFFAOYSA-N 0 1 377.492 3.482 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000161527309 1424700416 /nfs/dbraw/zinc/70/04/16/1424700416.db2.gz CONWADBFFJENJF-GOSISDBHSA-N 0 1 386.496 3.423 20 0 GGADMN CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000161527930 1424700774 /nfs/dbraw/zinc/70/07/74/1424700774.db2.gz OVFQMDMIXHPBRT-HXUWFJFHSA-N 0 1 380.492 3.388 20 0 GGADMN COc1ccc(N2C[C@H](C(=O)Nc3[nH]nc(-c4ccc(C)o4)c3C)CC2=O)cc1 ZINC000161523865 1424700844 /nfs/dbraw/zinc/70/08/44/1424700844.db2.gz YOOKTBYYXZQIGS-CQSZACIVSA-N 0 1 394.431 3.287 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000161546123 1424705598 /nfs/dbraw/zinc/70/55/98/1424705598.db2.gz UBIRROHPEFQOCQ-XSKAOVLVSA-N 0 1 394.562 3.086 20 0 GGADMN COCCOC[C@H]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000161547673 1424706716 /nfs/dbraw/zinc/70/67/16/1424706716.db2.gz PRIVMLCDSGPQSS-HNNXBMFYSA-N 0 1 394.313 3.255 20 0 GGADMN O=C(NC1CC1)[C@H](NCCOc1ncccc1C(F)(F)F)c1ccccc1 ZINC000161547196 1424706732 /nfs/dbraw/zinc/70/67/32/1424706732.db2.gz KPRJHGNEYCGMQI-MRXNPFEDSA-N 0 1 379.382 3.089 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821596209 1424708120 /nfs/dbraw/zinc/70/81/20/1424708120.db2.gz CPTGSHGOQFWHFQ-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821596209 1424708128 /nfs/dbraw/zinc/70/81/28/1424708128.db2.gz CPTGSHGOQFWHFQ-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821596209 1424708137 /nfs/dbraw/zinc/70/81/37/1424708137.db2.gz CPTGSHGOQFWHFQ-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN COc1ccc(NC(=O)[C@@H](NCC2(OC)CCOCC2)c2ccccc2)cc1 ZINC000161554980 1424709384 /nfs/dbraw/zinc/70/93/84/1424709384.db2.gz DDAABVLZMZWCGE-FQEVSTJZSA-N 0 1 384.476 3.160 20 0 GGADMN CN(CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1)c1ncnc2[nH]cnc21 ZINC000161566499 1424713106 /nfs/dbraw/zinc/71/31/06/1424713106.db2.gz WEAPLNUJAGGLMX-UHFFFAOYSA-N 0 1 393.278 3.147 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)N[C@@]3(C)CCOC3)cc2Cl)CC1 ZINC000161573818 1424714974 /nfs/dbraw/zinc/71/49/74/1424714974.db2.gz HOKHHOTVMQBCJL-IBGZPJMESA-N 0 1 380.920 3.173 20 0 GGADMN O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161585086 1424717908 /nfs/dbraw/zinc/71/79/08/1424717908.db2.gz PZYJFEQVSCBGOL-WDSOQIARSA-N 0 1 387.442 3.077 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)C3CCN(C(=O)N4CCCC4)CC3)c2C)o1 ZINC000161598633 1424721297 /nfs/dbraw/zinc/72/12/97/1424721297.db2.gz SMIFSVXGFDSNQW-UHFFFAOYSA-N 0 1 385.468 3.153 20 0 GGADMN CCCOc1cc(F)ccc1NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000161611446 1424724305 /nfs/dbraw/zinc/72/43/05/1424724305.db2.gz ZFAVOQHGHRFHMY-UHFFFAOYSA-N 0 1 388.443 3.419 20 0 GGADMN Cc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1-c1ncco1 ZINC000161652982 1424733199 /nfs/dbraw/zinc/73/31/99/1424733199.db2.gz YASABVVQFKNWGE-KRWDZBQOSA-N 0 1 384.480 3.226 20 0 GGADMN C[C@@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000824598569 1424735777 /nfs/dbraw/zinc/73/57/77/1424735777.db2.gz GRWCHLIOEOHQFQ-GFCCVEGCSA-N 0 1 388.269 3.359 20 0 GGADMN CCC[C@H]1CN(C(=O)Nc2cc(-c3nnco3)ccc2C)CCN1CCOC ZINC000161668757 1424736462 /nfs/dbraw/zinc/73/64/62/1424736462.db2.gz SCOGXNKBHPKNEP-KRWDZBQOSA-N 0 1 387.484 3.010 20 0 GGADMN CCOc1cc2c(cc1CN[C@@H](C)c1cccc(-n3cnnn3)c1)O[C@H](C)C2 ZINC000161692208 1424742087 /nfs/dbraw/zinc/74/20/87/1424742087.db2.gz KWDXSUQFPIHIPX-CABCVRRESA-N 0 1 379.464 3.235 20 0 GGADMN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(OC(C)C)cc2)o1 ZINC000180129216 1429749740 /nfs/dbraw/zinc/74/97/40/1429749740.db2.gz ZAUHBNWOSMBCBO-UHFFFAOYSA-N 0 1 375.450 3.421 20 0 GGADMN CCOc1cc2c(cc1CN[C@@H](C)c1ccc(-n3cnnn3)cc1)O[C@@H](C)C2 ZINC000161731799 1424753038 /nfs/dbraw/zinc/75/30/38/1424753038.db2.gz HZMOLLVKJTUCAT-GJZGRUSLSA-N 0 1 379.464 3.235 20 0 GGADMN C[C@@H](CSCc1ccccc1)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000161741977 1424754933 /nfs/dbraw/zinc/75/49/33/1424754933.db2.gz PIKKPQOCFSCCHM-ZWKOTPCHSA-N 0 1 376.566 3.268 20 0 GGADMN O=C(NNC(=S)Nc1ccccn1)c1cnc(-c2ccccc2Cl)s1 ZINC000161747638 1424756560 /nfs/dbraw/zinc/75/65/60/1424756560.db2.gz HHPRXELMKRJEDI-UHFFFAOYSA-N 0 1 389.893 3.490 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2)c1 ZINC000161791857 1424765205 /nfs/dbraw/zinc/76/52/05/1424765205.db2.gz UXUOODHSXQNUGB-UHFFFAOYSA-N 0 1 393.447 3.408 20 0 GGADMN Cc1cc(NC(=O)CC2(N3CCOCC3)CCCC2)nn1-c1cccc(F)c1 ZINC000180132925 1429751314 /nfs/dbraw/zinc/75/13/14/1429751314.db2.gz DJJBOVOGVCCDPH-UHFFFAOYSA-N 0 1 386.471 3.293 20 0 GGADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000161822775 1424773329 /nfs/dbraw/zinc/77/33/29/1424773329.db2.gz HYUVTDVOZGXUEU-CQSZACIVSA-N 0 1 398.481 3.279 20 0 GGADMN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000735756752 1424777092 /nfs/dbraw/zinc/77/70/92/1424777092.db2.gz QMFNNZGJSARWLS-FQEVSTJZSA-N 0 1 388.516 3.286 20 0 GGADMN CCOC(=O)CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2Cl)C1 ZINC000161859490 1424781836 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CCC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)CC1CC1 ZINC000736472369 1424803376 /nfs/dbraw/zinc/80/33/76/1424803376.db2.gz UYHGQXOGQWERKI-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)CC1CC1 ZINC000736472369 1424803383 /nfs/dbraw/zinc/80/33/83/1424803383.db2.gz UYHGQXOGQWERKI-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)CC1CC1 ZINC000736472369 1424803388 /nfs/dbraw/zinc/80/33/88/1424803388.db2.gz UYHGQXOGQWERKI-UHFFFAOYSA-N 0 1 388.541 3.258 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cnc4c(c3)c(C)nn4C)[nH]2)c1 ZINC000161979493 1424805686 /nfs/dbraw/zinc/80/56/86/1424805686.db2.gz HTXKEXSIMLDYFJ-UHFFFAOYSA-N 0 1 376.420 3.236 20 0 GGADMN Cc1ncc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c(C)n1 ZINC000180143435 1429757930 /nfs/dbraw/zinc/75/79/30/1429757930.db2.gz NVUSUPWWCXRRNF-UHFFFAOYSA-N 0 1 381.480 3.160 20 0 GGADMN CC[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(F)cc1F ZINC000162015445 1424808726 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CN(C)S(=O)(=O)c1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000162054732 1424812214 /nfs/dbraw/zinc/81/22/14/1424812214.db2.gz AJDNKLQRSPWLBC-UHFFFAOYSA-N 0 1 390.402 3.385 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCc2c(C)cccc2C)N(C)C)cc1OC ZINC000162072920 1424813463 /nfs/dbraw/zinc/81/34/63/1424813463.db2.gz NNUIJIUDJMWRHN-IBGZPJMESA-N 0 1 385.508 3.423 20 0 GGADMN CC(C)c1ncc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)s1 ZINC000162134382 1424819166 /nfs/dbraw/zinc/81/91/66/1424819166.db2.gz PVFKMUJYBZJAAR-UHFFFAOYSA-N 0 1 388.537 3.145 20 0 GGADMN Cc1ccc(C2CC([NH2+]C3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)C2)cc1 ZINC000826285193 1429755729 /nfs/dbraw/zinc/75/57/29/1429755729.db2.gz RNWKWALLYFVDHM-UHFFFAOYSA-N 0 1 389.507 3.075 20 0 GGADMN Cn1cnc(-c2cccc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)c2)n1 ZINC000162146947 1424819932 /nfs/dbraw/zinc/81/99/32/1424819932.db2.gz LYUSOGZBUOFTDN-SFHVURJKSA-N 0 1 394.479 3.424 20 0 GGADMN CC(C)CN1Cc2cccc(NC(=O)C(=O)NCCCc3ccccc3)c2C1 ZINC000162151954 1424820509 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C[C@@]1(NC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCOC1 ZINC000162217770 1424827161 /nfs/dbraw/zinc/82/71/61/1424827161.db2.gz HFJHJWONCDOEJH-OAQYLSRUSA-N 0 1 388.512 3.192 20 0 GGADMN O=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000162218950 1424827661 /nfs/dbraw/zinc/82/76/61/1424827661.db2.gz ZVLAWPUIMBOZLM-UHFFFAOYSA-N 0 1 383.362 3.403 20 0 GGADMN COC(=O)c1ccc2[nH]cc(C(=O)CN(Cc3ccccc3)[C@@H](C)CCO)c2c1 ZINC000162219917 1424827734 /nfs/dbraw/zinc/82/77/34/1424827734.db2.gz UFHLMYFTEOMRLB-INIZCTEOSA-N 0 1 394.471 3.410 20 0 GGADMN CC(C)Cc1ncc(CNCc2cccc(OCCN3CCOCC3)c2)s1 ZINC000162230991 1424829302 /nfs/dbraw/zinc/82/93/02/1424829302.db2.gz NPCKRSAKJZUIDR-UHFFFAOYSA-N 0 1 389.565 3.342 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)N2CCCC2)o1 ZINC000162243071 1424830191 /nfs/dbraw/zinc/83/01/91/1424830191.db2.gz GGNPNYPXJUYGJR-LJQANCHMSA-N 0 1 381.476 3.047 20 0 GGADMN CCOc1cc(CN2CCC(O)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000162250404 1424831154 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GGADMN Cc1c(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cccc1-c1nnn[n-]1 ZINC000826241907 1424850460 /nfs/dbraw/zinc/85/04/60/1424850460.db2.gz SXWFEZRNFGYBND-UHFFFAOYSA-N 0 1 397.527 3.340 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NOCCC(F)(F)F)N2CCCCC2)cc1 ZINC000162442292 1424852054 /nfs/dbraw/zinc/85/20/54/1424852054.db2.gz CWVPOWNCMYCRFF-MRXNPFEDSA-N 0 1 389.418 3.405 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)[nH]c21 ZINC000162441707 1424852154 /nfs/dbraw/zinc/85/21/54/1424852154.db2.gz BUULBPSYTGQAMC-UHFFFAOYSA-N 0 1 394.431 3.393 20 0 GGADMN CCC1(CO)CCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CC1 ZINC000162455681 1424854568 /nfs/dbraw/zinc/85/45/68/1424854568.db2.gz DPFQXGRZNPNHNE-LJQANCHMSA-N 0 1 389.540 3.026 20 0 GGADMN COC(=O)c1cccc2[nH]c(NC(=O)CCc3nc4cccc(C)c4[nH]3)nc21 ZINC000162510139 1424860126 /nfs/dbraw/zinc/86/01/26/1424860126.db2.gz CZXYJWAOAVNENS-UHFFFAOYSA-N 0 1 377.404 3.106 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3cc(-c4ccccc4F)on3)[nH]c21 ZINC000162529634 1424862315 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GGADMN Brc1cccc([C@H]2CCC[N@@H+]2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823832858 1424871709 /nfs/dbraw/zinc/87/17/09/1424871709.db2.gz XAHJTRYESDUJRH-MRXNPFEDSA-N 0 1 385.269 3.361 20 0 GGADMN Brc1cccc([C@H]2CCC[N@H+]2Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823832858 1424871718 /nfs/dbraw/zinc/87/17/18/1424871718.db2.gz XAHJTRYESDUJRH-MRXNPFEDSA-N 0 1 385.269 3.361 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@H](Cn2ccnn2)C1)c1cccc2ccccc21 ZINC000162617714 1424872496 /nfs/dbraw/zinc/87/24/96/1424872496.db2.gz CZBIPMHZUUKREF-ROUUACIJSA-N 0 1 377.492 3.021 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2C[C@@H](C)N(CCOC)[C@@H](C)C2)c1C ZINC000162616830 1424872536 /nfs/dbraw/zinc/87/25/36/1424872536.db2.gz LDFHCDYBEVXTRU-IYBDPMFKSA-N 0 1 390.528 3.307 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN[C@@H](C)[C@H]2CCOC2)cs1 ZINC000162645765 1424875139 /nfs/dbraw/zinc/87/51/39/1424875139.db2.gz FSMOCCXRGLWGEO-ZFWWWQNUSA-N 0 1 375.494 3.351 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)C2)CC1 ZINC000824953873 1424881618 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c1c2c(nc(NC3CC[NH+](CC4CCCC4)CC3)c1-c1nnn[n-]1)CCCC2 ZINC000826512055 1424905314 /nfs/dbraw/zinc/90/53/14/1424905314.db2.gz NCELISGJWXWOCY-UHFFFAOYSA-N 0 1 381.528 3.207 20 0 GGADMN CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000825745456 1424906058 /nfs/dbraw/zinc/90/60/58/1424906058.db2.gz MNCYGTHOAJPSIF-GFCCVEGCSA-N 0 1 382.497 3.035 20 0 GGADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000825745456 1424906061 /nfs/dbraw/zinc/90/60/61/1424906061.db2.gz MNCYGTHOAJPSIF-GFCCVEGCSA-N 0 1 382.497 3.035 20 0 GGADMN C[C@H](NC(=O)OCc1ccccc1)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000162921375 1424906603 /nfs/dbraw/zinc/90/66/03/1424906603.db2.gz BSJGBECKBFMZBQ-FUHWJXTLSA-N 0 1 386.448 3.102 20 0 GGADMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OC[C@@H]1CCCN1Cc1ccco1 ZINC000162928101 1424906981 /nfs/dbraw/zinc/90/69/81/1424906981.db2.gz KTJWDMUFZSSPMP-INIZCTEOSA-N 0 1 383.404 3.419 20 0 GGADMN CN(C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCSC1 ZINC000162931260 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393.896 3.434 20 0 GGADMN C[C@@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)[C@@H]1CO ZINC000162949638 1424911819 /nfs/dbraw/zinc/91/18/19/1424911819.db2.gz OPELZPZGBFBCIV-VQIMIIECSA-N 0 1 385.533 3.405 20 0 GGADMN C[C@H]1CCCN(CC(=O)Nc2cccc(CSc3ccccn3)c2)[C@@H]1CO ZINC000162949741 1424911898 /nfs/dbraw/zinc/91/18/98/1424911898.db2.gz OPELZPZGBFBCIV-QFBILLFUSA-N 0 1 385.533 3.405 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1-c1ncco1 ZINC000162960216 1424913699 /nfs/dbraw/zinc/91/36/99/1424913699.db2.gz VYWXKXRFXLKGSP-LJQANCHMSA-N 0 1 385.512 3.044 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000822331533 1424916092 /nfs/dbraw/zinc/91/60/92/1424916092.db2.gz GXIRJHHDFDSYCQ-CVEARBPZSA-N 0 1 377.496 3.175 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000822331533 1424916100 /nfs/dbraw/zinc/91/61/00/1424916100.db2.gz GXIRJHHDFDSYCQ-CVEARBPZSA-N 0 1 377.496 3.175 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000822331533 1424916103 /nfs/dbraw/zinc/91/61/03/1424916103.db2.gz GXIRJHHDFDSYCQ-CVEARBPZSA-N 0 1 377.496 3.175 20 0 GGADMN CCOCc1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000162984301 1424917312 /nfs/dbraw/zinc/91/73/12/1424917312.db2.gz UDPPFHFPJKFWJE-SFHVURJKSA-N 0 1 383.496 3.308 20 0 GGADMN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OC[C@@H]2CCCN2Cc2ccco2)cc1 ZINC000163004947 1424922265 /nfs/dbraw/zinc/92/22/65/1424922265.db2.gz VCCDEMFQXVWILN-PZJWPPBQSA-N 0 1 396.487 3.287 20 0 GGADMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163009087 1424922731 /nfs/dbraw/zinc/92/27/31/1424922731.db2.gz ZJERKNPWFKOPHT-WMZOPIPTSA-N 0 1 394.523 3.098 20 0 GGADMN CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824114021 1424924887 /nfs/dbraw/zinc/92/48/87/1424924887.db2.gz ICTALMKENXSYRQ-UHFFFAOYSA-N 0 1 383.427 3.251 20 0 GGADMN O=C(NCCCOCCc1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163033209 1424927970 /nfs/dbraw/zinc/92/79/70/1424927970.db2.gz YEROOYUIXGVKLT-IBGZPJMESA-N 0 1 397.523 3.221 20 0 GGADMN C[C@H](COc1ccc(F)cc1)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163040196 1424928867 /nfs/dbraw/zinc/92/88/67/1424928867.db2.gz AQLGROUXFAQSMC-UKRRQHHQSA-N 0 1 387.459 3.178 20 0 GGADMN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(-c2nnc[nH]2)c1 ZINC000163044151 1424929456 /nfs/dbraw/zinc/92/94/56/1424929456.db2.gz GYEASURXSGQZPD-CYBMUJFWSA-N 0 1 383.402 3.006 20 0 GGADMN O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163057577 1424933198 /nfs/dbraw/zinc/93/31/98/1424933198.db2.gz WQADCDXQWHHKJB-QGZVFWFLSA-N 0 1 394.523 3.240 20 0 GGADMN CCc1c(NC(=O)c2ccc(C(=O)NC3CC3)cc2)[nH]nc1-c1ccncc1 ZINC000163079762 1424936142 /nfs/dbraw/zinc/93/61/42/1424936142.db2.gz MLWUIBMSLPOERD-UHFFFAOYSA-N 0 1 375.432 3.179 20 0 GGADMN Cc1n[nH]cc1[C@H](C)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000180154200 1429765874 /nfs/dbraw/zinc/76/58/74/1429765874.db2.gz DFMJQRVXCSARSJ-INIZCTEOSA-N 0 1 394.498 3.430 20 0 GGADMN CC(C)C(=O)Nc1nc(CC(=O)OC[C@@H]2CCCN2Cc2ccco2)cs1 ZINC000163089714 1424938439 /nfs/dbraw/zinc/93/84/39/1424938439.db2.gz HZUMFNAVQFXEIY-HNNXBMFYSA-N 0 1 391.493 3.081 20 0 GGADMN O=C(OC[C@H]1CCCN1Cc1ccco1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000163113231 1424942218 /nfs/dbraw/zinc/94/22/18/1424942218.db2.gz FSTYUMRWUXYQOQ-VQTJNVASSA-N 0 1 396.487 3.340 20 0 GGADMN O=C(NCc1cccc2cccnc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163112023 1424942757 /nfs/dbraw/zinc/94/27/57/1424942757.db2.gz RRHJGDPHUXEZND-QGZVFWFLSA-N 0 1 376.464 3.320 20 0 GGADMN O=C(NCCCOc1ccc(F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163113780 1424943986 /nfs/dbraw/zinc/94/39/86/1424943986.db2.gz CGEDIYRPBQXAQO-OAHLLOKOSA-N 0 1 387.459 3.179 20 0 GGADMN O=C(NCCc1cc(F)cc(F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163119021 1424945182 /nfs/dbraw/zinc/94/51/82/1424945182.db2.gz DXNURCUAHCYQGI-CQSZACIVSA-N 0 1 375.423 3.092 20 0 GGADMN Cc1ccc(OCCCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000163123488 1424945600 /nfs/dbraw/zinc/94/56/00/1424945600.db2.gz IYVYXAVRHDOUDI-QGZVFWFLSA-N 0 1 383.496 3.349 20 0 GGADMN O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163122345 1424945767 /nfs/dbraw/zinc/94/57/67/1424945767.db2.gz AQKSZAJXNDZJAM-RDJZCZTQSA-N 0 1 381.480 3.485 20 0 GGADMN CCc1nc(CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)sc1C ZINC000163126369 1424946787 /nfs/dbraw/zinc/94/67/87/1424946787.db2.gz SNNRWHGXRPLMQP-AWEZNQCLSA-N 0 1 388.541 3.141 20 0 GGADMN O=C(NCc1cc(-c2ccccc2)on1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163128561 1424947761 /nfs/dbraw/zinc/94/77/61/1424947761.db2.gz KLANIQLFCAAXHI-MRXNPFEDSA-N 0 1 392.463 3.426 20 0 GGADMN CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1nc(C2CC2)no1 ZINC000163133974 1424948281 /nfs/dbraw/zinc/94/82/81/1424948281.db2.gz VUWZBNWZZFEHBS-HUUCEWRRSA-N 0 1 399.499 3.229 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1nc(C2CC2)no1 ZINC000163133647 1424948527 /nfs/dbraw/zinc/94/85/27/1424948527.db2.gz VUWZBNWZZFEHBS-GJZGRUSLSA-N 0 1 399.499 3.229 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000736291325 1424948685 /nfs/dbraw/zinc/94/86/85/1424948685.db2.gz LTBLMNAMNJXHQX-QWHCGFSZSA-N 0 1 396.882 3.466 20 0 GGADMN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000736291325 1424948690 /nfs/dbraw/zinc/94/86/90/1424948690.db2.gz LTBLMNAMNJXHQX-QWHCGFSZSA-N 0 1 396.882 3.466 20 0 GGADMN Cc1ccccc1OCCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163143264 1424949156 /nfs/dbraw/zinc/94/91/56/1424949156.db2.gz QHQFUYXSLICELY-QGZVFWFLSA-N 0 1 383.496 3.349 20 0 GGADMN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000163164510 1424951705 /nfs/dbraw/zinc/95/17/05/1424951705.db2.gz XKTSMZKSAYYUHU-MAUKXSAKSA-N 0 1 390.505 3.303 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000163162667 1424951724 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GGADMN Cc1cc(NC(=O)NCc2nc3cccc(C)c3[nH]2)n(Cc2ccccn2)n1 ZINC000163188102 1424955966 /nfs/dbraw/zinc/95/59/66/1424955966.db2.gz HAYBUMDEPGWDHI-UHFFFAOYSA-N 0 1 375.436 3.141 20 0 GGADMN FC(F)(F)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1-c1nnn[n-]1 ZINC000822729249 1424956273 /nfs/dbraw/zinc/95/62/73/1424956273.db2.gz XRFGSZILQLNGFD-UHFFFAOYSA-N 0 1 389.385 3.493 20 0 GGADMN O=C(NCC1(c2cccc(F)c2)CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163191825 1424957066 /nfs/dbraw/zinc/95/70/66/1424957066.db2.gz CTMLZSXLGMBZJM-HNNXBMFYSA-N 0 1 383.471 3.442 20 0 GGADMN Cc1cccc(O[C@@H](C)CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000163211258 1424959810 /nfs/dbraw/zinc/95/98/10/1424959810.db2.gz RZJLCRMEOWLVQT-RDJZCZTQSA-N 0 1 383.496 3.347 20 0 GGADMN Cc1cnc([C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C2CC2)s1 ZINC000163207408 1424959821 /nfs/dbraw/zinc/95/98/21/1424959821.db2.gz AKARNWMSTDTYGZ-HUUCEWRRSA-N 0 1 386.525 3.487 20 0 GGADMN COc1ccc(O[C@@H](C)CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000163217290 1424960208 /nfs/dbraw/zinc/96/02/08/1424960208.db2.gz YBUBGXNBEAWAMR-HOCLYGCPSA-N 0 1 399.495 3.047 20 0 GGADMN C[C@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Oc1cccc(F)c1 ZINC000163212757 1424960365 /nfs/dbraw/zinc/96/03/65/1424960365.db2.gz OKWUZAXYGHEFKC-UKRRQHHQSA-N 0 1 387.459 3.178 20 0 GGADMN Cc1ccccc1O[C@H](C)CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163213843 1424960439 /nfs/dbraw/zinc/96/04/39/1424960439.db2.gz VJOZWWDVDUIMHA-WBVHZDCISA-N 0 1 383.496 3.347 20 0 GGADMN CO[C@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(F)cc1 ZINC000163226124 1424962101 /nfs/dbraw/zinc/96/21/01/1424962101.db2.gz BCLQLAHCTDLYAO-NVXWUHKLSA-N 0 1 387.459 3.098 20 0 GGADMN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000163232331 1424963853 /nfs/dbraw/zinc/96/38/53/1424963853.db2.gz QAPXLMKSTVLPDA-KSZLIROESA-N 0 1 381.480 3.101 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000824993392 1424965993 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3.272 20 0 GGADMN Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737426062 1424971648 /nfs/dbraw/zinc/97/16/48/1424971648.db2.gz IOWYZCUPMCIFFD-INIZCTEOSA-N 0 1 396.520 3.272 20 0 GGADMN Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737426062 1424971650 /nfs/dbraw/zinc/97/16/50/1424971650.db2.gz IOWYZCUPMCIFFD-INIZCTEOSA-N 0 1 396.520 3.272 20 0 GGADMN CC[C@@H](C)Oc1cc(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccn1 ZINC000163309683 1424977130 /nfs/dbraw/zinc/97/71/30/1424977130.db2.gz NUKAQMCGTPRPRE-RHSMWYFYSA-N 0 1 398.511 3.344 20 0 GGADMN O=C(NO[C@@H]1CCCCO1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000163310314 1424977139 /nfs/dbraw/zinc/97/71/39/1424977139.db2.gz LTQOCETXWNMOJE-JKSUJKDBSA-N 0 1 387.402 3.037 20 0 GGADMN CC[C@H](C)Oc1cc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccn1 ZINC000163309611 1424977269 /nfs/dbraw/zinc/97/72/69/1424977269.db2.gz NUKAQMCGTPRPRE-YOEHRIQHSA-N 0 1 398.511 3.344 20 0 GGADMN Clc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)C2)cc1Cl ZINC000826352877 1424983818 /nfs/dbraw/zinc/98/38/18/1424983818.db2.gz RCXATXUXVLHLIX-LBPRGKRZSA-N 0 1 380.235 3.420 20 0 GGADMN C[C@@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(OC(F)F)c1 ZINC000163349848 1424984032 /nfs/dbraw/zinc/98/40/32/1424984032.db2.gz ZFEJQEVNQHBKSP-MRXNPFEDSA-N 0 1 389.446 3.287 20 0 GGADMN COc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1-c1nn[n-]n1 ZINC000826194154 1424984174 /nfs/dbraw/zinc/98/41/74/1424984174.db2.gz COCSWDUVVQFBPT-UHFFFAOYSA-N 0 1 385.512 3.435 20 0 GGADMN CCc1nc2c(s1)[C@@H](NCC(=O)N1CCN(c3ccccc3)CC1)CCC2 ZINC000163357842 1424984457 /nfs/dbraw/zinc/98/44/57/1424984457.db2.gz QOCYFPLVOOTYNC-KRWDZBQOSA-N 0 1 384.549 3.021 20 0 GGADMN C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1cnc2ccsc2c1 ZINC000163365948 1424985574 /nfs/dbraw/zinc/98/55/74/1424985574.db2.gz KPJUVBFFKSNVES-INIZCTEOSA-N 0 1 380.517 3.296 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000180152947 1429764714 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0 1 378.436 3.082 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000825621145 1429768372 /nfs/dbraw/zinc/76/83/72/1429768372.db2.gz NPWNBJGFOXAVRP-UHFFFAOYSA-N 0 1 379.464 3.222 20 0 GGADMN CC1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736212673 1424997132 /nfs/dbraw/zinc/99/71/32/1424997132.db2.gz DACFOLHHPMYJMX-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CC1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736212673 1424997137 /nfs/dbraw/zinc/99/71/37/1424997137.db2.gz DACFOLHHPMYJMX-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CC1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000736212673 1424997139 /nfs/dbraw/zinc/99/71/39/1424997139.db2.gz DACFOLHHPMYJMX-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(CC(C)(C)O)CC1 ZINC000163451185 1425001865 /nfs/dbraw/zinc/00/18/65/1425001865.db2.gz ZCFQQWKHPQUBTP-LBPRGKRZSA-N 0 1 399.322 3.493 20 0 GGADMN Cc1c([C@H](C)NCCCOC[C@H]2CCCO2)nnn1-c1cccc(Cl)c1 ZINC000163461435 1425003568 /nfs/dbraw/zinc/00/35/68/1425003568.db2.gz IYLROWHIKYIVJO-KBXCAEBGSA-N 0 1 378.904 3.465 20 0 GGADMN O[C@H](C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(Cl)c1 ZINC000823674430 1425004545 /nfs/dbraw/zinc/00/45/45/1425004545.db2.gz QKGZEUOWFDENIL-LJQANCHMSA-N 0 1 399.882 3.097 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163488724 1425006474 /nfs/dbraw/zinc/00/64/74/1425006474.db2.gz WWFVURPNFBTHDT-GJZGRUSLSA-N 0 1 390.505 3.085 20 0 GGADMN CCOc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000163483486 1425006620 /nfs/dbraw/zinc/00/66/20/1425006620.db2.gz LFAAINQJSUVPMA-CABCVRRESA-N 0 1 390.505 3.167 20 0 GGADMN CCS(=O)(=O)CCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000163493704 1425007499 /nfs/dbraw/zinc/00/74/99/1425007499.db2.gz YPQHEDSLBCUUCA-KRWDZBQOSA-N 0 1 397.338 3.152 20 0 GGADMN Cc1c([C@@H](C)NCCCOC[C@@H]2CCCO2)nnn1-c1ccc(Cl)cc1 ZINC000163507612 1425009060 /nfs/dbraw/zinc/00/90/60/1425009060.db2.gz 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YFQHBVNHLLRVMC-HZPDHXFCSA-N 0 1 376.526 3.007 20 0 GGADMN C[C@](O)(CN1CCC(C)(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000180161899 1429773121 /nfs/dbraw/zinc/77/31/21/1429773121.db2.gz DINKEFDEHGYMMZ-QFIPXVFZSA-N 0 1 387.545 3.351 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnn(C)c1 ZINC000163926516 1425058947 /nfs/dbraw/zinc/05/89/47/1425058947.db2.gz YFQHBVNHLLRVMC-JKSUJKDBSA-N 0 1 376.526 3.007 20 0 GGADMN CN1CCN(c2ccc(NC(=O)[C@H](O)c3ccccc3)c(C(F)(F)F)c2)CC1 ZINC000163934702 1425059900 /nfs/dbraw/zinc/05/99/00/1425059900.db2.gz CTZGTEYAZBFUEZ-GOSISDBHSA-N 0 1 393.409 3.129 20 0 GGADMN Cn1cnc2cc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)ccc21 ZINC000163955503 1425061422 /nfs/dbraw/zinc/06/14/22/1425061422.db2.gz WJHXDYZZCJDZBL-UHFFFAOYSA-N 0 1 383.883 3.231 20 0 GGADMN CC[NH+](CC)CC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000821188699 1425071093 /nfs/dbraw/zinc/07/10/93/1425071093.db2.gz BUNMDMFJTUURLU-UHFFFAOYSA-N 0 1 382.434 3.444 20 0 GGADMN Cc1ccnc(N2CCN(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000164054267 1425072259 /nfs/dbraw/zinc/07/22/59/1425072259.db2.gz ZSKHRNCIXLJKRY-PXNSSMCTSA-N 0 1 389.927 3.304 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824568715 1425075689 /nfs/dbraw/zinc/07/56/89/1425075689.db2.gz CIYDUNSCIWQAID-SJKOYZFVSA-N 0 1 391.397 3.140 20 0 GGADMN COCc1cc(N2CCC(CCCN3CCOCC3)CC2)nc(C(C)(C)C)n1 ZINC000180168021 1429778455 /nfs/dbraw/zinc/77/84/55/1429778455.db2.gz UKWPGFAOLDYILY-UHFFFAOYSA-N 0 1 390.572 3.249 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822351737 1425081741 /nfs/dbraw/zinc/08/17/41/1425081741.db2.gz PTTFRUOLRYPWPW-INIZCTEOSA-N 0 1 380.452 3.161 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822351737 1425081751 /nfs/dbraw/zinc/08/17/51/1425081751.db2.gz PTTFRUOLRYPWPW-INIZCTEOSA-N 0 1 380.452 3.161 20 0 GGADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC[C@H](O)c3ccccc3)n2)cc1 ZINC000164199331 1425086412 /nfs/dbraw/zinc/08/64/12/1425086412.db2.gz QVLMQLDXCLLJJK-KRWDZBQOSA-N 0 1 382.489 3.112 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H](O)c1ccccc1 ZINC000164211822 1425088069 /nfs/dbraw/zinc/08/80/69/1425088069.db2.gz GWGUESMILNEAAR-ROUUACIJSA-N 0 1 378.394 3.130 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H](O)c1ccccc1 ZINC000164211712 1425088211 /nfs/dbraw/zinc/08/82/11/1425088211.db2.gz GWGUESMILNEAAR-MSOLQXFVSA-N 0 1 378.394 3.130 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000736017926 1425090835 /nfs/dbraw/zinc/09/08/35/1425090835.db2.gz RZUVNZNQBOTYSC-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000736017926 1425090843 /nfs/dbraw/zinc/09/08/43/1425090843.db2.gz RZUVNZNQBOTYSC-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000736017926 1425090846 /nfs/dbraw/zinc/09/08/46/1425090846.db2.gz RZUVNZNQBOTYSC-CYBMUJFWSA-N 0 1 399.886 3.162 20 0 GGADMN C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736805351 1425095865 /nfs/dbraw/zinc/09/58/65/1425095865.db2.gz DBXDGWNVQWPJBM-UHFFFAOYSA-N 0 1 395.854 3.245 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000826404634 1425096386 /nfs/dbraw/zinc/09/63/86/1425096386.db2.gz HMMGZJQSCTUDMI-KRWDZBQOSA-N 0 1 383.402 3.382 20 0 GGADMN CN1CCN(c2cccc(Cl)c2CNc2ccc(N3CCCC3=O)cn2)CC1 ZINC000180166708 1429777197 /nfs/dbraw/zinc/77/71/97/1429777197.db2.gz QJBSAVHYIMUDLW-UHFFFAOYSA-N 0 1 399.926 3.226 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cc2c(s1)CCC2 ZINC000820414630 1425110818 /nfs/dbraw/zinc/11/08/18/1425110818.db2.gz ZYWNFABFDAUUFN-CYBMUJFWSA-N 0 1 395.536 3.132 20 0 GGADMN C[C@@H]1C[C@H](NS(=O)(=O)Cc2c(F)cccc2F)CN1Cc1ccccc1 ZINC000164431747 1425111117 /nfs/dbraw/zinc/11/11/17/1425111117.db2.gz FWVIWTLNBNMSPY-ZBFHGGJFSA-N 0 1 380.460 3.047 20 0 GGADMN C[C@@H](NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000164483990 1425115986 /nfs/dbraw/zinc/11/59/86/1425115986.db2.gz ZRGWJBWSKGJOBF-ABAIWWIYSA-N 0 1 390.369 3.368 20 0 GGADMN O=C(C[C@H]1CCC[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822945536 1425117220 /nfs/dbraw/zinc/11/72/20/1425117220.db2.gz JFOIZBLGTCDXSU-OAHLLOKOSA-N 0 1 383.477 3.044 20 0 GGADMN CC(C)COCCCNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000164504761 1425118692 /nfs/dbraw/zinc/11/86/92/1425118692.db2.gz NGDFHHVAMOUKQO-HNNXBMFYSA-N 0 1 399.417 3.275 20 0 GGADMN CCCc1ccc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000164547766 1425122568 /nfs/dbraw/zinc/12/25/68/1425122568.db2.gz QPFXZNVKYHOBTK-UHFFFAOYSA-N 0 1 394.519 3.277 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000164563199 1425123832 /nfs/dbraw/zinc/12/38/32/1425123832.db2.gz LDGGQRNNKFZPJM-SECBINFHSA-N 0 1 398.303 3.459 20 0 GGADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000164563199 1425123843 /nfs/dbraw/zinc/12/38/43/1425123843.db2.gz LDGGQRNNKFZPJM-SECBINFHSA-N 0 1 398.303 3.459 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)c[nH]c12 ZINC000164572990 1425125319 /nfs/dbraw/zinc/12/53/19/1425125319.db2.gz ZMTNQZKEQNIJMN-QGZVFWFLSA-N 0 1 384.476 3.439 20 0 GGADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000826284748 1429778237 /nfs/dbraw/zinc/77/82/37/1429778237.db2.gz DINOZMIYBSSRDG-GUYCJALGSA-N 0 1 377.452 3.389 20 0 GGADMN CC(C)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000824297598 1425129798 /nfs/dbraw/zinc/12/97/98/1425129798.db2.gz XMFKQKYXBHFGBQ-PMACEKPBSA-N 0 1 398.461 3.459 20 0 GGADMN Cc1cccc(CNC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000164624981 1425130533 /nfs/dbraw/zinc/13/05/33/1425130533.db2.gz ZGKMOXJMZVVKIQ-OAHLLOKOSA-N 0 1 390.369 3.116 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN2CCN(C(C)C)CC2)cs1 ZINC000164696184 1425135014 /nfs/dbraw/zinc/13/50/14/1425135014.db2.gz 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CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)c1 ZINC000164970500 1425154057 /nfs/dbraw/zinc/15/40/57/1425154057.db2.gz QABPGWIVXKNFSI-UHFFFAOYSA-N 0 1 381.457 3.251 20 0 GGADMN CC[C@H](N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C)C(=O)N1CCOCC1 ZINC000165030250 1425157327 /nfs/dbraw/zinc/15/73/27/1425157327.db2.gz FFNIESKBKVNJHU-PXNSSMCTSA-N 0 1 384.524 3.086 20 0 GGADMN CC(=O)N1CC[C@@H](CN(C)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)C1 ZINC000165085961 1425162408 /nfs/dbraw/zinc/16/24/08/1425162408.db2.gz LZSKTOZEWXMVAP-AWEZNQCLSA-N 0 1 396.322 3.318 20 0 GGADMN COc1ccc(CCC(=O)N2CCCN(CCc3c(C)noc3C)CC2)cc1 ZINC000165327801 1425175314 /nfs/dbraw/zinc/17/53/14/1425175314.db2.gz CUROMTHLGVBLOX-UHFFFAOYSA-N 0 1 385.508 3.010 20 0 GGADMN Cc1nc(COc2ccc(CN[C@H](CC(=O)N(C)C)c3ccccc3)cc2)no1 ZINC000165347109 1425176176 /nfs/dbraw/zinc/17/61/76/1425176176.db2.gz PNCOHHOWTFPWNO-HXUWFJFHSA-N 0 1 394.475 3.266 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000165436665 1425178489 /nfs/dbraw/zinc/17/84/89/1425178489.db2.gz NSIAXIQSCVQTDJ-NWDGAFQWSA-N 0 1 379.457 3.132 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccc(Br)nc1)c1cccc(F)c1 ZINC000165829493 1425197878 /nfs/dbraw/zinc/19/78/78/1425197878.db2.gz YWHMUCYKKNHLCU-AWEZNQCLSA-N 0 1 381.249 3.408 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cnc3ccc(-c4nnn[n-]4)cn13)CCC2 ZINC000825750809 1425200811 /nfs/dbraw/zinc/20/08/11/1425200811.db2.gz XTKNSEGDSTYHKT-OAHLLOKOSA-N 0 1 394.508 3.043 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cnc3ccc(-c4nnn[n-]4)cn13)CCC2 ZINC000825750809 1425200818 /nfs/dbraw/zinc/20/08/18/1425200818.db2.gz XTKNSEGDSTYHKT-OAHLLOKOSA-N 0 1 394.508 3.043 20 0 GGADMN Cc1ccnc(N2CCN(CCC(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000166082538 1425206605 /nfs/dbraw/zinc/20/66/05/1425206605.db2.gz HAJATAFQHOSHTN-NRFANRHFSA-N 0 1 378.520 3.096 20 0 GGADMN Cc1ccnc(N2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000166182293 1425207411 /nfs/dbraw/zinc/20/74/11/1425207411.db2.gz DESVWVBBGNPLKU-UHFFFAOYSA-N 0 1 383.883 3.458 20 0 GGADMN COC[C@H](C)NC(=O)NC(=O)CN([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000166220825 1425208802 /nfs/dbraw/zinc/20/88/02/1425208802.db2.gz WDXCGLFOBJOTCZ-HOTGVXAUSA-N 0 1 383.492 3.226 20 0 GGADMN O=C1CCc2cc(OC[C@H](O)CNCc3c(Cl)cccc3Cl)ccc2N1 ZINC000166313163 1425211180 /nfs/dbraw/zinc/21/11/80/1425211180.db2.gz QEHSLWNONAQZFX-CYBMUJFWSA-N 0 1 395.286 3.408 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000166350075 1425212053 /nfs/dbraw/zinc/21/20/53/1425212053.db2.gz VDTHTQQUMTULIF-SIKLNZKXSA-N 0 1 386.584 3.162 20 0 GGADMN COc1cc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)ccc1S(=O)(=O)C(F)F ZINC000166613671 1425215683 /nfs/dbraw/zinc/21/56/83/1425215683.db2.gz CHBGZCXQSICLPX-GEWABHDNSA-N 0 1 397.443 3.000 20 0 GGADMN Cc1cccc([C@H]2CCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000166745658 1425217649 /nfs/dbraw/zinc/21/76/49/1425217649.db2.gz OFBKXPGMSNTWCF-JOCHJYFZSA-N 0 1 378.520 3.115 20 0 GGADMN CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)Cc1cccnc1 ZINC000166819860 1425217729 /nfs/dbraw/zinc/21/77/29/1425217729.db2.gz HDPSPXOWVCPCRR-HXUWFJFHSA-N 0 1 386.927 3.120 20 0 GGADMN c1[nH]nc(-c2ccccc2)c1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738424115 1425220120 /nfs/dbraw/zinc/22/01/20/1425220120.db2.gz WIWSPCOQVYTIGE-UHFFFAOYSA-N 0 1 391.504 3.280 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820294563 1425226133 /nfs/dbraw/zinc/22/61/33/1425226133.db2.gz UPVRWWIQINPHSW-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN COCCOc1cc(C)ccc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000167658357 1425229527 /nfs/dbraw/zinc/22/95/27/1425229527.db2.gz RRNODKOIMFAXLA-MRXNPFEDSA-N 0 1 377.506 3.275 20 0 GGADMN COCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000167658238 1425229924 /nfs/dbraw/zinc/22/99/24/1425229924.db2.gz RRNODKOIMFAXLA-INIZCTEOSA-N 0 1 377.506 3.275 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000167822022 1425232653 /nfs/dbraw/zinc/23/26/53/1425232653.db2.gz YKYIMQGRIVFILQ-RBUKOAKNSA-N 0 1 394.581 3.176 20 0 GGADMN Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826288601 1425233669 /nfs/dbraw/zinc/23/36/69/1425233669.db2.gz ORTPSOXTGAXPEV-UHFFFAOYSA-N 0 1 376.233 3.367 20 0 GGADMN C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824449009 1425235273 /nfs/dbraw/zinc/23/52/73/1425235273.db2.gz MFMFVBQRZUBCPE-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168233838 1425237212 /nfs/dbraw/zinc/23/72/12/1425237212.db2.gz RXLOUJJZKPNOTL-LLVKDONJSA-N 0 1 388.411 3.186 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C)ccc2OC(F)F)cc1 ZINC000168624425 1425238977 /nfs/dbraw/zinc/23/89/77/1425238977.db2.gz PZQXKMNZRWUUQC-CYBMUJFWSA-N 0 1 384.448 3.355 20 0 GGADMN NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000168670592 1425239215 /nfs/dbraw/zinc/23/92/15/1425239215.db2.gz MNSABALMFMSOPA-QGZVFWFLSA-N 0 1 393.409 3.489 20 0 GGADMN C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000819857095 1425241587 /nfs/dbraw/zinc/24/15/87/1425241587.db2.gz OWSFSQBQJIDLPA-ZDUSSCGKSA-N 0 1 384.871 3.003 20 0 GGADMN C[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000819857095 1425241592 /nfs/dbraw/zinc/24/15/92/1425241592.db2.gz OWSFSQBQJIDLPA-ZDUSSCGKSA-N 0 1 384.871 3.003 20 0 GGADMN CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439876 1425244753 /nfs/dbraw/zinc/24/47/53/1425244753.db2.gz RQZJKZWRKJLFQK-HNNXBMFYSA-N 0 1 388.479 3.245 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000824586447 1425261099 /nfs/dbraw/zinc/26/10/99/1425261099.db2.gz ZCVBRYKFCJNBRQ-NSHDSACASA-N 0 1 388.834 3.339 20 0 GGADMN CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000170531846 1425264362 /nfs/dbraw/zinc/26/43/62/1425264362.db2.gz APCHJMLOQVBGKQ-UHFFFAOYSA-N 0 1 397.475 3.222 20 0 GGADMN Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cnn1-c1ccccc1 ZINC000170579512 1425264939 /nfs/dbraw/zinc/26/49/39/1425264939.db2.gz OGSHMJXMLPRFKL-UHFFFAOYSA-N 0 1 375.476 3.185 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1 ZINC000170628432 1425265832 /nfs/dbraw/zinc/26/58/32/1425265832.db2.gz ULTJYFHRDKBGJC-UHFFFAOYSA-N 0 1 392.463 3.025 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)N2CCCC2)o1 ZINC000170633663 1425267649 /nfs/dbraw/zinc/26/76/49/1425267649.db2.gz WQIYUBSEAIBZEM-JKSUJKDBSA-N 0 1 387.446 3.115 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)N2CCCC2)o1 ZINC000170633786 1425267918 /nfs/dbraw/zinc/26/79/18/1425267918.db2.gz UTDYRNIQYXKZIP-UXHICEINSA-N 0 1 395.503 3.146 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647618 1425273864 /nfs/dbraw/zinc/27/38/64/1425273864.db2.gz MIOUUSVGBZKYAY-QZTJIDSGSA-N 0 1 389.540 3.189 20 0 GGADMN O=C(CC[NH2+][C@@H](CC1CC1)c1ccccc1)Nc1sccc1-c1nnn[n-]1 ZINC000826407761 1425274318 /nfs/dbraw/zinc/27/43/18/1425274318.db2.gz ZUEBZVPENWTRTB-INIZCTEOSA-N 0 1 382.493 3.388 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647839 1425275030 /nfs/dbraw/zinc/27/50/30/1425275030.db2.gz HCBBEJNEUKVVKH-HZPDHXFCSA-N 0 1 393.503 3.192 20 0 GGADMN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647954 1425275151 /nfs/dbraw/zinc/27/51/51/1425275151.db2.gz HGAAIWHXPOBYED-GDBMZVCRSA-N 0 1 395.931 3.191 20 0 GGADMN CCc1ccc(NC(=O)[C@H](C)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000170648390 1425276336 /nfs/dbraw/zinc/27/63/36/1425276336.db2.gz PXTOCJCONUHXSY-DOTOQJQBSA-N 0 1 375.513 3.423 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1Cl ZINC000170648176 1425276805 /nfs/dbraw/zinc/27/68/05/1425276805.db2.gz GLXDUBKSGKAGFW-LSDHHAIUSA-N 0 1 395.931 3.364 20 0 GGADMN O=S(=O)(N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1OC(F)F ZINC000170658646 1425280203 /nfs/dbraw/zinc/28/02/03/1425280203.db2.gz QFHZCDFLMSPQDT-INIZCTEOSA-N 0 1 396.459 3.403 20 0 GGADMN O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccccc1OC(F)F ZINC000170659954 1425281801 /nfs/dbraw/zinc/28/18/01/1425281801.db2.gz HAEDNZGHSIDBIF-UHFFFAOYSA-N 0 1 396.459 3.015 20 0 GGADMN CC[NH+](CC)[C@H](C)CNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736534931 1425282578 /nfs/dbraw/zinc/28/25/78/1425282578.db2.gz SVZXVIBEJXGNDI-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC)[C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736534931 1425282583 /nfs/dbraw/zinc/28/25/83/1425282583.db2.gz SVZXVIBEJXGNDI-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN CC[NH+](CC)[C@H](C)CNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736534931 1425282590 /nfs/dbraw/zinc/28/25/90/1425282590.db2.gz SVZXVIBEJXGNDI-QGZVFWFLSA-N 0 1 394.523 3.266 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1)N1C(=O)NC2(CCCC2)C1=O ZINC000170665586 1425284393 /nfs/dbraw/zinc/28/43/93/1425284393.db2.gz HBEZIKOZFDBXEV-LBPRGKRZSA-N 0 1 397.479 3.052 20 0 GGADMN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)NC1CCN(Cc2ccncc2)CC1 ZINC000170684435 1425297059 /nfs/dbraw/zinc/29/70/59/1425297059.db2.gz HFAMHYYXRMXZCZ-FGZHOGPDSA-N 0 1 394.519 3.266 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1ccccc1-c1nnn[n-]1 ZINC000826407284 1425298061 /nfs/dbraw/zinc/29/80/61/1425298061.db2.gz HRDLKQSAUOLWJB-MENFKHAKSA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826407284 1425298068 /nfs/dbraw/zinc/29/80/68/1425298068.db2.gz HRDLKQSAUOLWJB-MENFKHAKSA-N 0 1 388.475 3.373 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1C=Cc1ccccc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826407284 1425298071 /nfs/dbraw/zinc/29/80/71/1425298071.db2.gz HRDLKQSAUOLWJB-MENFKHAKSA-N 0 1 388.475 3.373 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)N3CCCCCC3)C2)cc1 ZINC000170687640 1425300049 /nfs/dbraw/zinc/30/00/49/1425300049.db2.gz PXSJVTLZWPJWNE-LJQANCHMSA-N 0 1 386.540 3.231 20 0 GGADMN c1cc(C[NH2+]CCc2ccncc2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751959 1425300606 /nfs/dbraw/zinc/30/06/06/1425300606.db2.gz UAHMZKUFKZLPRD-UHFFFAOYSA-N 0 1 386.459 3.173 20 0 GGADMN C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccccc1 ZINC000824993396 1425300887 /nfs/dbraw/zinc/30/08/87/1425300887.db2.gz QKWYLYPMVZTRSN-YCRPNKLZSA-N 0 1 385.475 3.460 20 0 GGADMN O=C(CN1CC[C@@H](Nc2ccccc2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000170688972 1425300952 /nfs/dbraw/zinc/30/09/52/1425300952.db2.gz MIXPGMWLFBXDCS-GOSISDBHSA-N 0 1 389.446 3.133 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000170689271 1425300973 /nfs/dbraw/zinc/30/09/73/1425300973.db2.gz YNFNJDUBOGKEQE-IBGZPJMESA-N 0 1 392.459 3.055 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H]1CCSc2ccccc21 ZINC000170689832 1425301327 /nfs/dbraw/zinc/30/13/27/1425301327.db2.gz ZVOAEHUAKAPPLO-OAHLLOKOSA-N 0 1 380.473 3.036 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000170709459 1425311415 /nfs/dbraw/zinc/31/14/15/1425311415.db2.gz YOLCEQCNUGJFNY-IBGZPJMESA-N 0 1 382.512 3.229 20 0 GGADMN C[C@@H](CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)NC(=O)C1CCCC1 ZINC000170726302 1425320205 /nfs/dbraw/zinc/32/02/05/1425320205.db2.gz JKQKVCLWYLHCDP-NSHDSACASA-N 0 1 375.860 3.149 20 0 GGADMN Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@H](CCC(N)=O)C3)CC2)cc1 ZINC000170734525 1425322194 /nfs/dbraw/zinc/32/21/94/1425322194.db2.gz LOEVVACFQLZYEV-JOCHJYFZSA-N 0 1 399.579 3.144 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)NCc1ccc([C@H](C)O)cc1)N1CCCC1 ZINC000170748942 1425326575 /nfs/dbraw/zinc/32/65/75/1425326575.db2.gz CJSFJFGAJJMPBU-UWJYYQICSA-N 0 1 397.519 3.385 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3c(C)nn(C)c3Oc3cccnc3)[nH]n2)o1 ZINC000170770201 1425333475 /nfs/dbraw/zinc/33/34/75/1425333475.db2.gz LAYZWSMVHZLDGZ-UHFFFAOYSA-N 0 1 378.392 3.460 20 0 GGADMN Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737419126 1425334536 /nfs/dbraw/zinc/33/45/36/1425334536.db2.gz CMILEGKJAQCLSP-RTBURBONSA-N 0 1 378.480 3.079 20 0 GGADMN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000170774306 1425335760 /nfs/dbraw/zinc/33/57/60/1425335760.db2.gz SGXWBBLUHYIXKD-UHFFFAOYSA-N 0 1 388.349 3.205 20 0 GGADMN Cc1cc(C(=O)NC2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c(C)o1 ZINC000170776135 1425337041 /nfs/dbraw/zinc/33/70/41/1425337041.db2.gz ZBPPYAXUDMYXNI-UHFFFAOYSA-N 0 1 378.476 3.477 20 0 GGADMN Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)c(C)o1 ZINC000170776347 1425338075 /nfs/dbraw/zinc/33/80/75/1425338075.db2.gz QSLCPKOGFWSSEP-MRXNPFEDSA-N 0 1 377.529 3.125 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cnc(-c3ccccn3)s2)N(C)C)c1 ZINC000170777860 1425338258 /nfs/dbraw/zinc/33/82/58/1425338258.db2.gz MZOMLUVEAIJSEP-QGZVFWFLSA-N 0 1 382.489 3.246 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000170777088 1425338814 /nfs/dbraw/zinc/33/88/14/1425338814.db2.gz JTGIRUORWDKOGF-VQIMIIECSA-N 0 1 389.540 3.270 20 0 GGADMN COC(=O)c1coc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000170779717 1425339899 /nfs/dbraw/zinc/33/98/99/1425339899.db2.gz KUGUMPCSASHABQ-MRXNPFEDSA-N 0 1 385.464 3.408 20 0 GGADMN Cc1csc(=O)n1CCN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000170779730 1425340247 /nfs/dbraw/zinc/34/02/47/1425340247.db2.gz NNIWHRVOSKXSNT-QGZVFWFLSA-N 0 1 388.537 3.060 20 0 GGADMN CCc1noc(-c2ccc(CCNS(=O)(=O)c3c(F)cccc3F)cc2)n1 ZINC000170788159 1425343244 /nfs/dbraw/zinc/34/32/44/1425343244.db2.gz VQAPZWGSDTXMKW-UHFFFAOYSA-N 0 1 393.415 3.098 20 0 GGADMN COc1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)c(OC)c1OC ZINC000170790963 1425344300 /nfs/dbraw/zinc/34/43/00/1425344300.db2.gz AOJWJEVUUUEAGI-SFHVURJKSA-N 0 1 385.382 3.252 20 0 GGADMN CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000736331519 1425344893 /nfs/dbraw/zinc/34/48/93/1425344893.db2.gz QAZDRUJNZJXXJB-RYUDHWBXSA-N 0 1 376.892 3.358 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccncc3)c2C1 ZINC000170820108 1425353713 /nfs/dbraw/zinc/35/37/13/1425353713.db2.gz YSOJCNUDGFLIKR-INIZCTEOSA-N 0 1 380.492 3.039 20 0 GGADMN Cc1cc(N2CCCC2)ccc1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000170826267 1425357030 /nfs/dbraw/zinc/35/70/30/1425357030.db2.gz SROXJIGKOVBICC-UHFFFAOYSA-N 0 1 391.475 3.230 20 0 GGADMN CC(C)n1ncc2ccc(NC(=O)CCNC(=O)c3n[nH]c4ccccc43)cc21 ZINC000170829254 1425358742 /nfs/dbraw/zinc/35/87/42/1425358742.db2.gz IOYKQMRMEZTMIK-UHFFFAOYSA-N 0 1 390.447 3.252 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)n[nH]1 ZINC000170834405 1425360512 /nfs/dbraw/zinc/36/05/12/1425360512.db2.gz PCLOIGFBDNOTHO-UHFFFAOYSA-N 0 1 377.448 3.062 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419591 1425361816 /nfs/dbraw/zinc/36/18/16/1425361816.db2.gz IKYYXOHEQRLBAQ-SJCJKPOMSA-N 0 1 391.397 3.140 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@H](O)C1CCCCC1)N1CCCC1 ZINC000170837014 1425361908 /nfs/dbraw/zinc/36/19/08/1425361908.db2.gz YDFYKHXHGFNTAD-WOJBJXKFSA-N 0 1 389.540 3.073 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NC[C@H](O)C1CCCCC1)N1CCCC1 ZINC000170837010 1425362277 /nfs/dbraw/zinc/36/22/77/1425362277.db2.gz YDFYKHXHGFNTAD-UXHICEINSA-N 0 1 389.540 3.073 20 0 GGADMN CC(C)[C@H](NC(=O)NCCN1CCc2ccccc2C1)c1nc(C2CC2)no1 ZINC000170839179 1425362611 /nfs/dbraw/zinc/36/26/11/1425362611.db2.gz QLBRDRXCOQEHKJ-SFHVURJKSA-N 0 1 383.496 3.002 20 0 GGADMN CCc1c(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[nH]nc1-c1ccncc1 ZINC000170851378 1425369662 /nfs/dbraw/zinc/36/96/62/1425369662.db2.gz IXKLNOJCHQFVOO-CYBMUJFWSA-N 0 1 381.402 3.247 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C2CCC2)N(C)C)cc1OC ZINC000170862432 1425373145 /nfs/dbraw/zinc/37/31/45/1425373145.db2.gz PURWJCWTLQAJDD-QZTJIDSGSA-N 0 1 375.513 3.281 20 0 GGADMN C[NH+](C)Cc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736772169 1425374933 /nfs/dbraw/zinc/37/49/33/1425374933.db2.gz YCFUXMZNNSGDBW-UHFFFAOYSA-N 0 1 387.900 3.391 20 0 GGADMN Cc1cc([C@H]2CN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CCO2)ccc1F ZINC000826266587 1425377461 /nfs/dbraw/zinc/37/74/61/1425377461.db2.gz ULDNTMLISBNOKR-LJQANCHMSA-N 0 1 390.422 3.440 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N(Cc2cccnc2)C2CC2)N(C)C)cc1OC ZINC000170882447 1425380219 /nfs/dbraw/zinc/38/02/19/1425380219.db2.gz OSTTZQILUHPVLD-LJQANCHMSA-N 0 1 398.507 3.076 20 0 GGADMN CC[N@H+](CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000825394487 1425381754 /nfs/dbraw/zinc/38/17/54/1425381754.db2.gz DZTWKEYXOWBJIK-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN CC[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000825394487 1425381759 /nfs/dbraw/zinc/38/17/59/1425381759.db2.gz DZTWKEYXOWBJIK-UHFFFAOYSA-N 0 1 378.436 3.082 20 0 GGADMN COC[C@@H](C)CNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170890067 1425381839 /nfs/dbraw/zinc/38/18/39/1425381839.db2.gz UWGKSOWXZFJVJL-HNNXBMFYSA-N 0 1 387.446 3.205 20 0 GGADMN CC1(C)CN(C(=O)c2ccccc2N2CCOCC2)CCN1Cc1ccccc1 ZINC000170902120 1425386079 /nfs/dbraw/zinc/38/60/79/1425386079.db2.gz PPFMLHWTFVASNM-UHFFFAOYSA-N 0 1 393.531 3.260 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)C(=O)OC(C)(C)C ZINC000170918520 1425391171 /nfs/dbraw/zinc/39/11/71/1425391171.db2.gz FACYACAYZDEBRB-CQSZACIVSA-N 0 1 388.464 3.187 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1)C(=O)OC(C)(C)C ZINC000170918520 1425391180 /nfs/dbraw/zinc/39/11/80/1425391180.db2.gz FACYACAYZDEBRB-CQSZACIVSA-N 0 1 388.464 3.187 20 0 GGADMN CN(C[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1)C(=O)OC(C)(C)C ZINC000170918244 1425391873 /nfs/dbraw/zinc/39/18/73/1425391873.db2.gz DFIUKCKXFWHYCK-CQSZACIVSA-N 0 1 380.460 3.381 20 0 GGADMN CN1CCN(CCNC(=O)c2cc3c(s2)-c2ccccc2C(C)(C)C3)CC1 ZINC000170920295 1425393619 /nfs/dbraw/zinc/39/36/19/1425393619.db2.gz XYIPYHPWIPLIIY-UHFFFAOYSA-N 0 1 383.561 3.226 20 0 GGADMN CCN(C)[C@H](C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000170923163 1425395126 /nfs/dbraw/zinc/39/51/26/1425395126.db2.gz BQAMTRGRXRLNOS-MJGOQNOKSA-N 0 1 389.540 3.395 20 0 GGADMN CCN(CC)[C@@H](C(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000170928845 1425398165 /nfs/dbraw/zinc/39/81/65/1425398165.db2.gz NINSAGSUWLQQND-LJQANCHMSA-N 0 1 385.533 3.116 20 0 GGADMN Cc1[nH]ncc1CNC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000170935353 1425400231 /nfs/dbraw/zinc/40/02/31/1425400231.db2.gz GQYJHAGFZNOLQT-HXUWFJFHSA-N 0 1 376.460 3.204 20 0 GGADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000170953288 1425414085 /nfs/dbraw/zinc/41/40/85/1425414085.db2.gz IHVNPSDWJRWCQA-ZDUSSCGKSA-N 0 1 392.956 3.138 20 0 GGADMN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCc3ccccc3[C@@H]2C)CC1 ZINC000170955667 1425415012 /nfs/dbraw/zinc/41/50/12/1425415012.db2.gz MHZHEAIQLSAHNB-SFHVURJKSA-N 0 1 385.552 3.007 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)N[C@@H](C)c3cc4ccccc4s3)C2)CC1 ZINC000170956142 1425415061 /nfs/dbraw/zinc/41/50/61/1425415061.db2.gz FYRWWIGADNJFKD-WMZOPIPTSA-N 0 1 386.565 3.384 20 0 GGADMN Cc1cccnc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000170961928 1425418405 /nfs/dbraw/zinc/41/84/05/1425418405.db2.gz YRFNRSZPYWIVOS-UHFFFAOYSA-N 0 1 387.915 3.377 20 0 GGADMN COc1ccc2c(c1)CCCN2C(=O)CNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971218 1425421539 /nfs/dbraw/zinc/42/15/39/1425421539.db2.gz WLUJCCFWPHMFBD-UHFFFAOYSA-N 0 1 398.478 3.409 20 0 GGADMN COc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c(OC)c1 ZINC000170971808 1425422516 /nfs/dbraw/zinc/42/25/16/1425422516.db2.gz OULKQLBGOSOZHB-UHFFFAOYSA-N 0 1 388.439 3.077 20 0 GGADMN COc1cc(NC(=O)CNC2(c3ccc(F)cc3)CCOCC2)cc(OC)c1 ZINC000170971780 1425422545 /nfs/dbraw/zinc/42/25/45/1425422545.db2.gz ZHLKJFIOWOUQFI-UHFFFAOYSA-N 0 1 388.439 3.077 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@@H](C)c2cccnc2)CC1 ZINC000171004555 1425432077 /nfs/dbraw/zinc/43/20/77/1425432077.db2.gz QBZYDHWZXGECFS-IRXDYDNUSA-N 0 1 399.514 3.484 20 0 GGADMN C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccn1 ZINC000171003307 1425432279 /nfs/dbraw/zinc/43/22/79/1425432279.db2.gz OBFYKVADVZGEFG-HZPDHXFCSA-N 0 1 385.487 3.094 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCCCOC(C)C)CC1 ZINC000171002989 1425432451 /nfs/dbraw/zinc/43/24/51/1425432451.db2.gz MUCNPIYBEGRMGM-KRWDZBQOSA-N 0 1 394.535 3.143 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000826182767 1425435332 /nfs/dbraw/zinc/43/53/32/1425435332.db2.gz TUFUSVVUUVFWPB-HNNXBMFYSA-N 0 1 384.509 3.328 20 0 GGADMN COCOc1ccc(OC)cc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826163819 1425436582 /nfs/dbraw/zinc/43/65/82/1425436582.db2.gz MOQRESSXHGZKQZ-UHFFFAOYSA-N 0 1 395.463 3.023 20 0 GGADMN COCOc1ccc(OC)cc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826163819 1425436586 /nfs/dbraw/zinc/43/65/86/1425436586.db2.gz MOQRESSXHGZKQZ-UHFFFAOYSA-N 0 1 395.463 3.023 20 0 GGADMN Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1-c1nnn[n-]1 ZINC000826374561 1425436957 /nfs/dbraw/zinc/43/69/57/1425436957.db2.gz DOEKXEXKVWLGQR-HNNXBMFYSA-N 0 1 377.427 3.020 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c(C)o1 ZINC000171015155 1425437162 /nfs/dbraw/zinc/43/71/62/1425437162.db2.gz ZZONBGIWINHGFF-UHFFFAOYSA-N 0 1 398.488 3.383 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c(C)o1 ZINC000171015379 1425437204 /nfs/dbraw/zinc/43/72/04/1425437204.db2.gz UXRCWIXAZLYQBQ-UHFFFAOYSA-N 0 1 392.459 3.321 20 0 GGADMN COC(=O)c1coc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC000171032535 1425447959 /nfs/dbraw/zinc/44/79/59/1425447959.db2.gz XQSGHAWGCSWPRW-UHFFFAOYSA-N 0 1 388.439 3.042 20 0 GGADMN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825411695 1425448343 /nfs/dbraw/zinc/44/83/43/1425448343.db2.gz CKDIYOHILNLFGB-UHFFFAOYSA-N 0 1 398.536 3.221 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821207938 1425449959 /nfs/dbraw/zinc/44/99/59/1425449959.db2.gz YXGFIAMXLWFELW-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207938 1425449963 /nfs/dbraw/zinc/44/99/63/1425449963.db2.gz YXGFIAMXLWFELW-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207938 1425449966 /nfs/dbraw/zinc/44/99/66/1425449966.db2.gz YXGFIAMXLWFELW-OAHLLOKOSA-N 0 1 394.479 3.287 20 0 GGADMN C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000824925572 1425454356 /nfs/dbraw/zinc/45/43/56/1425454356.db2.gz FIWDGKYWTNUTJO-HZPDHXFCSA-N 0 1 382.512 3.344 20 0 GGADMN C[C@@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H](C)S1 ZINC000820768836 1425459821 /nfs/dbraw/zinc/45/98/21/1425459821.db2.gz QDQJHNBWKKFQNR-NXEZZACHSA-N 0 1 392.435 3.347 20 0 GGADMN CCCCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000171061188 1425461670 /nfs/dbraw/zinc/46/16/70/1425461670.db2.gz OTRXQGFEIQYHPG-QGZVFWFLSA-N 0 1 377.510 3.140 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCc3ccc([C@H](C)O)cc3)CC2)cc1 ZINC000171062639 1425462678 /nfs/dbraw/zinc/46/26/78/1425462678.db2.gz QCXMBKNOAZYKNH-SFHVURJKSA-N 0 1 397.519 3.166 20 0 GGADMN CCN(CC)[C@H](CNC(=O)NCCCc1nc2ccccc2[nH]1)c1ccco1 ZINC000171081153 1425472435 /nfs/dbraw/zinc/47/24/35/1425472435.db2.gz RDWGOSBJDMQUJT-GOSISDBHSA-N 0 1 383.496 3.471 20 0 GGADMN CCn1ncc2ccc(NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)cc21 ZINC000171089742 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385.855 3.185 20 0 GGADMN COc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000821808511 1425619904 /nfs/dbraw/zinc/61/99/04/1425619904.db2.gz HMGJOFXNHCUDKA-FXAWDEMLSA-N 0 1 379.464 3.133 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cccc1-c1nnn[n-]1 ZINC000822084330 1425620432 /nfs/dbraw/zinc/62/04/32/1425620432.db2.gz JATMWCRIKJDNHI-KRWDZBQOSA-N 0 1 397.527 3.151 20 0 GGADMN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1C ZINC000171331090 1425621792 /nfs/dbraw/zinc/62/17/92/1425621792.db2.gz NAPIVZXEVNWPBV-UHFFFAOYSA-N 0 1 392.452 3.322 20 0 GGADMN Cn1cc(CCCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000171331210 1425621986 /nfs/dbraw/zinc/62/19/86/1425621986.db2.gz VKYOAQYJAFHCPI-LJQANCHMSA-N 0 1 389.931 3.142 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000171346813 1425629873 /nfs/dbraw/zinc/62/98/73/1425629873.db2.gz WJPKTSGEDQOUSK-IEBWSBKVSA-N 0 1 389.540 3.270 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CSC[C@@H]1CCCCO1)N1CCCC1 ZINC000171351933 1425632224 /nfs/dbraw/zinc/63/22/24/1425632224.db2.gz AIFPSETVLYGZLV-HKUYNNGSSA-N 0 1 392.565 3.251 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CSC[C@@H]1CCCCO1)N1CCCC1 ZINC000171351928 1425632344 /nfs/dbraw/zinc/63/23/44/1425632344.db2.gz AIFPSETVLYGZLV-PKOBYXMFSA-N 0 1 392.565 3.251 20 0 GGADMN CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cn2)CC1 ZINC000171352761 1425634112 /nfs/dbraw/zinc/63/41/12/1425634112.db2.gz QAIMJRLRMDMHKW-IBGZPJMESA-N 0 1 382.508 3.478 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)N2CCCC2)o1 ZINC000171364983 1425642514 /nfs/dbraw/zinc/64/25/14/1425642514.db2.gz DEZVJWBAFHGREP-KRWDZBQOSA-N 0 1 380.452 3.127 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000171392411 1425658146 /nfs/dbraw/zinc/65/81/46/1425658146.db2.gz JEPRITDOMGFGCY-UHFFFAOYSA-N 0 1 392.463 3.364 20 0 GGADMN CN1CCN(c2cc(CNC(=O)Nc3cccc(C(F)F)c3)ccn2)CC1 ZINC000171396323 1425660865 /nfs/dbraw/zinc/66/08/65/1425660865.db2.gz VUWIKEOHEGCRHM-UHFFFAOYSA-N 0 1 375.423 3.093 20 0 GGADMN C[C@H](CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)NC(=O)C1CCCC1 ZINC000171401176 1425663281 /nfs/dbraw/zinc/66/32/81/1425663281.db2.gz HLSNNYDUOZLRRD-ACJLOTCBSA-N 0 1 384.480 3.438 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCS[C@H](C)C2)CC1 ZINC000171438158 1425678474 /nfs/dbraw/zinc/67/84/74/1425678474.db2.gz IPRXYZQTSFJSDZ-CVEARBPZSA-N 0 1 394.560 3.176 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCS[C@H](C)C2)CC1 ZINC000171438154 1425678758 /nfs/dbraw/zinc/67/87/58/1425678758.db2.gz IPRXYZQTSFJSDZ-HZPDHXFCSA-N 0 1 394.560 3.176 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825068599 1425682034 /nfs/dbraw/zinc/68/20/34/1425682034.db2.gz UKODVGPGFWZRIZ-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825068599 1425682039 /nfs/dbraw/zinc/68/20/39/1425682039.db2.gz UKODVGPGFWZRIZ-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825068599 1425682048 /nfs/dbraw/zinc/68/20/48/1425682048.db2.gz UKODVGPGFWZRIZ-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825416403 1425687612 /nfs/dbraw/zinc/68/76/12/1425687612.db2.gz IFIPXYGVTNRDFP-QGZVFWFLSA-N 0 1 394.523 3.438 20 0 GGADMN CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825416403 1425687617 /nfs/dbraw/zinc/68/76/17/1425687617.db2.gz IFIPXYGVTNRDFP-QGZVFWFLSA-N 0 1 394.523 3.438 20 0 GGADMN CCN(C)[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000171475595 1425696733 /nfs/dbraw/zinc/69/67/33/1425696733.db2.gz WNUDGHOJQKZVOB-JOCHJYFZSA-N 0 1 381.520 3.175 20 0 GGADMN CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820225491 1425697279 /nfs/dbraw/zinc/69/72/79/1425697279.db2.gz JTCAWPUVKPCHFT-OAHLLOKOSA-N 0 1 378.480 3.497 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000171485457 1425702093 /nfs/dbraw/zinc/70/20/93/1425702093.db2.gz BXZORSMLUXVAKF-SFHVURJKSA-N 0 1 388.452 3.126 20 0 GGADMN O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000171485462 1425702169 /nfs/dbraw/zinc/70/21/69/1425702169.db2.gz BXZORSMLUXVAKF-GOSISDBHSA-N 0 1 388.452 3.126 20 0 GGADMN COc1ccnc(N2CCN(C(=O)Nc3ccc4cnn(C(C)C)c4c3)CC2)c1 ZINC000171538084 1425722623 /nfs/dbraw/zinc/72/26/23/1425722623.db2.gz RCFAWPSJGNDQCQ-UHFFFAOYSA-N 0 1 394.479 3.375 20 0 GGADMN Cc1cccc2c1CCN(C(=O)CCn1c(=O)c3ccccc3[nH]c1=S)C2 ZINC000171541274 1425725091 /nfs/dbraw/zinc/72/50/91/1425725091.db2.gz CQOMFSSCMORSFA-UHFFFAOYSA-N 0 1 379.485 3.343 20 0 GGADMN Cc1nnc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)[nH]1 ZINC000171545781 1425728713 /nfs/dbraw/zinc/72/87/13/1425728713.db2.gz XTKUCDOQURADQK-UHFFFAOYSA-N 0 1 387.509 3.249 20 0 GGADMN Cc1n[nH]c(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)n1 ZINC000171545781 1425728720 /nfs/dbraw/zinc/72/87/20/1425728720.db2.gz XTKUCDOQURADQK-UHFFFAOYSA-N 0 1 387.509 3.249 20 0 GGADMN Cc1nnc(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)[nH]1 ZINC000171550210 1425730729 /nfs/dbraw/zinc/73/07/29/1425730729.db2.gz KVYFKKARUDWYPB-ICSRJNTNSA-N 0 1 389.459 3.232 20 0 GGADMN COC(=O)CCc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000171563621 1425737827 /nfs/dbraw/zinc/73/78/27/1425737827.db2.gz YCDXBHDLKHTWFM-GOSISDBHSA-N 0 1 385.464 3.344 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547885 1425740798 /nfs/dbraw/zinc/74/07/98/1425740798.db2.gz UASXLFVQPSCERQ-YOEHRIQHSA-N 0 1 386.500 3.307 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000171571327 1425741118 /nfs/dbraw/zinc/74/11/18/1425741118.db2.gz LEPZLBODEAOBHP-WOJBJXKFSA-N 0 1 375.513 3.043 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000171585210 1425745154 /nfs/dbraw/zinc/74/51/54/1425745154.db2.gz FIDTYTZMBKQMSE-CABCVRRESA-N 0 1 395.569 3.378 20 0 GGADMN C[C@H](C(=O)NCc1cccs1)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585213 1425745293 /nfs/dbraw/zinc/74/52/93/1425745293.db2.gz FIDTYTZMBKQMSE-LSDHHAIUSA-N 0 1 395.569 3.378 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000171584670 1425745354 /nfs/dbraw/zinc/74/53/54/1425745354.db2.gz RWRXKODEMSQKFS-MRXNPFEDSA-N 0 1 381.561 3.403 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000171586047 1425746073 /nfs/dbraw/zinc/74/60/73/1425746073.db2.gz LJBZLIVSRVAIQL-OAHLLOKOSA-N 0 1 393.503 3.067 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000171586646 1425747109 /nfs/dbraw/zinc/74/71/09/1425747109.db2.gz ZKVUYBWUYAEURW-INIZCTEOSA-N 0 1 381.561 3.308 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000171586596 1425747273 /nfs/dbraw/zinc/74/72/73/1425747273.db2.gz SLQUBQGVLKNKHM-SJORKVTESA-N 0 1 389.540 3.317 20 0 GGADMN CC[C@H]1CCCCN1C(=O)CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587551 1425747849 /nfs/dbraw/zinc/74/78/49/1425747849.db2.gz ITRGQALFJIQLFA-AEFFLSMTSA-N 0 1 381.561 3.403 20 0 GGADMN CC(C)[C@@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1nc(C2CC2)no1 ZINC000824199980 1425748554 /nfs/dbraw/zinc/74/85/54/1425748554.db2.gz NJIYLEVRAWFTSN-DLBZAZTESA-N 0 1 379.468 3.491 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)C1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171587962 1425749081 /nfs/dbraw/zinc/74/90/81/1425749081.db2.gz INWKMNXGVVPRKM-LPHOPBHVSA-N 0 1 389.540 3.441 20 0 GGADMN COc1ccnc(N2CCN(C(=O)N[C@H](C)c3ccc(OC(C)C)cc3)CC2)c1 ZINC000171589128 1425749802 /nfs/dbraw/zinc/74/98/02/1425749802.db2.gz LIPZTFSYEHTVKK-QGZVFWFLSA-N 0 1 398.507 3.470 20 0 GGADMN COc1ccnc(N2CCN(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)CC2)c1 ZINC000171589132 1425749908 /nfs/dbraw/zinc/74/99/08/1425749908.db2.gz LIPZTFSYEHTVKK-KRWDZBQOSA-N 0 1 398.507 3.470 20 0 GGADMN COc1ccnc(N2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000171591662 1425751665 /nfs/dbraw/zinc/75/16/65/1425751665.db2.gz CHORVMSSPGDYCB-UHFFFAOYSA-N 0 1 394.397 3.141 20 0 GGADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCCc2ccccc2C1 ZINC000171594444 1425752894 /nfs/dbraw/zinc/75/28/94/1425752894.db2.gz MOBUQKRKLCOSGF-GOSISDBHSA-N 0 1 379.504 3.195 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3COc4ccc(Cl)cc4C3)n2)cc1 ZINC000171595989 1425753604 /nfs/dbraw/zinc/75/36/04/1425753604.db2.gz VXDBQHAZIHXGCX-CQSZACIVSA-N 0 1 398.850 3.001 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)[C@H]3COc4ccc(Cl)cc4C3)n[nH]2)cc1 ZINC000171595989 1425753609 /nfs/dbraw/zinc/75/36/09/1425753609.db2.gz VXDBQHAZIHXGCX-CQSZACIVSA-N 0 1 398.850 3.001 20 0 GGADMN CC[NH+](CC)[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccsc1 ZINC000821180481 1425758413 /nfs/dbraw/zinc/75/84/13/1425758413.db2.gz DBQIPLQFAYTZIM-GOSISDBHSA-N 0 1 393.520 3.393 20 0 GGADMN O[C@@H](CN1CCC[C@H](c2nnc3n2CCC3)C1)c1ccccc1C(F)(F)F ZINC000171619084 1425760455 /nfs/dbraw/zinc/76/04/55/1425760455.db2.gz COQHTXJULQRHOT-BBRMVZONSA-N 0 1 380.414 3.156 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000171634973 1425767532 /nfs/dbraw/zinc/76/75/32/1425767532.db2.gz FJRINZGRCHGXGW-IBGZPJMESA-N 0 1 386.540 3.252 20 0 GGADMN CCN(C[C@H]1CCCO1)C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000171649117 1425771805 /nfs/dbraw/zinc/77/18/05/1425771805.db2.gz RGPDJFUYWCLMRQ-UYAOXDASSA-N 0 1 389.540 3.433 20 0 GGADMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736481349 1425778262 /nfs/dbraw/zinc/77/82/62/1425778262.db2.gz OCRDCHYHRGALDH-IBGZPJMESA-N 0 1 392.463 3.472 20 0 GGADMN CN(CC(=O)N(Cc1ccccc1F)C1CCCCC1)c1ncnc2[nH]cnc21 ZINC000171663982 1425781109 /nfs/dbraw/zinc/78/11/09/1425781109.db2.gz JHYYSKOCAFSLJD-UHFFFAOYSA-N 0 1 396.470 3.290 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000171664111 1425781223 /nfs/dbraw/zinc/78/12/23/1425781223.db2.gz OWGMBZVBENZPKT-CABCVRRESA-N 0 1 396.557 3.050 20 0 GGADMN C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820301152 1425786472 /nfs/dbraw/zinc/78/64/72/1425786472.db2.gz VQVCSYVELNMZBY-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN COCc1cc(CNC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)ccc1F ZINC000171678717 1425786741 /nfs/dbraw/zinc/78/67/41/1425786741.db2.gz UTBIEOCCAJUJJS-HXUWFJFHSA-N 0 1 389.471 3.083 20 0 GGADMN O=C(NCCc1ccccn1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000171693396 1425791032 /nfs/dbraw/zinc/79/10/32/1425791032.db2.gz QCLKBODLCFIEFS-UHFFFAOYSA-N 0 1 386.927 3.489 20 0 GGADMN CC(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820068552 1425791408 /nfs/dbraw/zinc/79/14/08/1425791408.db2.gz RTFPHVGQVYNINH-CYBMUJFWSA-N 0 1 376.892 3.217 20 0 GGADMN CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820068552 1425791404 /nfs/dbraw/zinc/79/14/04/1425791404.db2.gz RTFPHVGQVYNINH-CYBMUJFWSA-N 0 1 376.892 3.217 20 0 GGADMN CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820068552 1425791416 /nfs/dbraw/zinc/79/14/16/1425791416.db2.gz RTFPHVGQVYNINH-CYBMUJFWSA-N 0 1 376.892 3.217 20 0 GGADMN CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820087170 1425792320 /nfs/dbraw/zinc/79/23/20/1425792320.db2.gz MQRJDRFOLRJHME-FQEVSTJZSA-N 0 1 383.471 3.240 20 0 GGADMN CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087170 1425792326 /nfs/dbraw/zinc/79/23/26/1425792326.db2.gz MQRJDRFOLRJHME-FQEVSTJZSA-N 0 1 383.471 3.240 20 0 GGADMN CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087170 1425792329 /nfs/dbraw/zinc/79/23/29/1425792329.db2.gz MQRJDRFOLRJHME-FQEVSTJZSA-N 0 1 383.471 3.240 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000171695978 1425792375 /nfs/dbraw/zinc/79/23/75/1425792375.db2.gz BWQAJMCDEHFNBJ-SPTIWXGTSA-N 0 1 388.600 3.013 20 0 GGADMN O=C(NCc1cccc(CO)c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000171712397 1425800113 /nfs/dbraw/zinc/80/01/13/1425800113.db2.gz GENXAUDYBNVKNT-UHFFFAOYSA-N 0 1 389.499 3.360 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000171716405 1425801203 /nfs/dbraw/zinc/80/12/03/1425801203.db2.gz BUJDROUVZPCMFU-UXHICEINSA-N 0 1 394.563 3.142 20 0 GGADMN O=C(NCC1CCOCC1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000171729331 1425805168 /nfs/dbraw/zinc/80/51/68/1425805168.db2.gz FPLTXEHLWPFRJO-UHFFFAOYSA-N 0 1 379.932 3.278 20 0 GGADMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825918944 1425809612 /nfs/dbraw/zinc/80/96/12/1425809612.db2.gz QAGFKDWWXKNUHT-UHFFFAOYSA-N 0 1 381.459 3.144 20 0 GGADMN COc1ccnc(N2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)c1 ZINC000171748881 1425810237 /nfs/dbraw/zinc/81/02/37/1425810237.db2.gz RKKUUQVJXKGZAL-UHFFFAOYSA-N 0 1 382.851 3.254 20 0 GGADMN COc1ccc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1Cc1ccccc1 ZINC000171750674 1425810779 /nfs/dbraw/zinc/81/07/79/1425810779.db2.gz RKJVPMJCSKDFKB-SFHVURJKSA-N 0 1 396.535 3.043 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000171749901 1425811069 /nfs/dbraw/zinc/81/10/69/1425811069.db2.gz RRHMGYXLEOLRPT-SFHVURJKSA-N 0 1 393.535 3.138 20 0 GGADMN O=C(c1nnc2ccccc2c1O)N(Cc1cccc(Br)c1)C1CC1 ZINC000171766449 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ZINC000172079373 1425891744 /nfs/dbraw/zinc/89/17/44/1425891744.db2.gz UDPVWBDRCOJOPO-IBGZPJMESA-N 0 1 385.939 3.457 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736402588 1425891979 /nfs/dbraw/zinc/89/19/79/1425891979.db2.gz OLYOVWGCOFPZMU-CYBMUJFWSA-N 0 1 389.479 3.028 20 0 GGADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736402588 1425891989 /nfs/dbraw/zinc/89/19/89/1425891989.db2.gz OLYOVWGCOFPZMU-CYBMUJFWSA-N 0 1 389.479 3.028 20 0 GGADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736402588 1425891997 /nfs/dbraw/zinc/89/19/97/1425891997.db2.gz OLYOVWGCOFPZMU-CYBMUJFWSA-N 0 1 389.479 3.028 20 0 GGADMN COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000172087007 1425894142 /nfs/dbraw/zinc/89/41/42/1425894142.db2.gz IBWULNZEHXYZAN-PXNSSMCTSA-N 0 1 387.911 3.346 20 0 GGADMN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cccc(Cl)c1O ZINC000172108813 1425898111 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GGADMN Cc1cccc(-c2nn(Cc3ccccc3)cc2CN[C@H](C)CS(C)(=O)=O)c1 ZINC000172122403 1425904899 /nfs/dbraw/zinc/90/48/99/1425904899.db2.gz IAGPLVGSLYNICK-GOSISDBHSA-N 0 1 397.544 3.430 20 0 GGADMN C[C@H](CS(C)(=O)=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000172122447 1425905400 /nfs/dbraw/zinc/90/54/00/1425905400.db2.gz SSWCRAAWRVZTJS-QGZVFWFLSA-N 0 1 383.517 3.121 20 0 GGADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@H](C)CS(C)(=O)=O)cc1 ZINC000172122408 1425905461 /nfs/dbraw/zinc/90/54/61/1425905461.db2.gz ADGHLWHDWKKNQU-GOSISDBHSA-N 0 1 397.544 3.430 20 0 GGADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CN[C@@H](C)CS(C)(=O)=O)cc1 ZINC000172122405 1425905480 /nfs/dbraw/zinc/90/54/80/1425905480.db2.gz ADGHLWHDWKKNQU-SFHVURJKSA-N 0 1 397.544 3.430 20 0 GGADMN O=C(NCCN1CCCC1)c1oc2ccccc2c1CSc1ncccn1 ZINC000172126839 1425907279 /nfs/dbraw/zinc/90/72/79/1425907279.db2.gz JIIYAPSBJNFXBK-UHFFFAOYSA-N 0 1 382.489 3.341 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 ZINC000172127272 1425907372 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3.171 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094833 1425932717 /nfs/dbraw/zinc/93/27/17/1425932717.db2.gz IQUOZLXKPSASAC-SQNIBIBYSA-N 0 1 383.496 3.342 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H](C)Oc1ccccc1 ZINC000172175204 1425933749 /nfs/dbraw/zinc/93/37/49/1425933749.db2.gz VVONJXFQRABDSO-SFHVURJKSA-N 0 1 382.508 3.336 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CCOCC1 ZINC000820438329 1425933998 /nfs/dbraw/zinc/93/39/98/1425933998.db2.gz MXYBMYZRWCQPLY-MRXNPFEDSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(-c2nn[n-]n2)cc1F ZINC000824569059 1425934831 /nfs/dbraw/zinc/93/48/31/1425934831.db2.gz GFYRGXZBGUVSNG-RDTXWAMCSA-N 0 1 383.471 3.459 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820708967 1425938052 /nfs/dbraw/zinc/93/80/52/1425938052.db2.gz AYWQYIYCUWZQHK-INIZCTEOSA-N 0 1 390.491 3.280 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820708967 1425938058 /nfs/dbraw/zinc/93/80/58/1425938058.db2.gz AYWQYIYCUWZQHK-INIZCTEOSA-N 0 1 390.491 3.280 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820708967 1425938060 /nfs/dbraw/zinc/93/80/60/1425938060.db2.gz AYWQYIYCUWZQHK-INIZCTEOSA-N 0 1 390.491 3.280 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547719 1425938463 /nfs/dbraw/zinc/93/84/63/1425938463.db2.gz BZMCHPZJICMZAG-BZNIZROVSA-N 0 1 398.442 3.237 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)c(-c2nnn[n-]2)c1C ZINC000822547719 1425938465 /nfs/dbraw/zinc/93/84/65/1425938465.db2.gz BZMCHPZJICMZAG-BZNIZROVSA-N 0 1 398.442 3.237 20 0 GGADMN CCN(Cc1ccccc1NS(=O)(=O)c1cccc2cccnc21)C(C)=O ZINC000172198136 1425942638 /nfs/dbraw/zinc/94/26/38/1425942638.db2.gz FBUMEBPMAPLQOJ-UHFFFAOYSA-N 0 1 383.473 3.404 20 0 GGADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000172199173 1425942683 /nfs/dbraw/zinc/94/26/83/1425942683.db2.gz GJJNPQABTVTKOZ-UHFFFAOYSA-N 0 1 385.489 3.113 20 0 GGADMN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000172198566 1425942869 /nfs/dbraw/zinc/94/28/69/1425942869.db2.gz HMAPCEWQRDAZEU-UHFFFAOYSA-N 0 1 383.473 3.421 20 0 GGADMN Cc1nc(COc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)no1 ZINC000172200709 1425944450 /nfs/dbraw/zinc/94/44/50/1425944450.db2.gz INZISFCXHNIPLV-UHFFFAOYSA-N 0 1 396.428 3.306 20 0 GGADMN CCSc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000172213682 1425949770 /nfs/dbraw/zinc/94/97/70/1425949770.db2.gz LNKZMRMPSHPZPC-LJQANCHMSA-N 0 1 385.533 3.339 20 0 GGADMN Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172243086 1425962562 /nfs/dbraw/zinc/96/25/62/1425962562.db2.gz LAISVXXQZLUXPA-UHFFFAOYSA-N 0 1 378.398 3.198 20 0 GGADMN O=c1c2ccccc2ncn1CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000172242293 1425962927 /nfs/dbraw/zinc/96/29/27/1425962927.db2.gz RPEDSFWGMBVFLD-IBGZPJMESA-N 0 1 377.444 3.005 20 0 GGADMN O=C(COc1cccc(C(F)(F)F)c1)NC1CCN(Cc2cccnc2)CC1 ZINC000172245227 1425963337 /nfs/dbraw/zinc/96/33/37/1425963337.db2.gz FQZCBLJCLUSBNF-UHFFFAOYSA-N 0 1 393.409 3.260 20 0 GGADMN CCOc1ccc2cc(C(=O)NC3CCN(Cc4cccnc4)CC3)[nH]c2c1 ZINC000172243811 1425963362 /nfs/dbraw/zinc/96/33/62/1425963362.db2.gz DHHAMRYHAAILRN-UHFFFAOYSA-N 0 1 378.476 3.356 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172244208 1425963426 /nfs/dbraw/zinc/96/34/26/1425963426.db2.gz OGTYRHTYCOQKHI-UHFFFAOYSA-N 0 1 389.503 3.279 20 0 GGADMN Cc1oc(-c2ccsc2)nc1CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172245086 1425963456 /nfs/dbraw/zinc/96/34/56/1425963456.db2.gz ZVVPMWCYZUUAGJ-UHFFFAOYSA-N 0 1 396.516 3.430 20 0 GGADMN O=C(/C=C/c1nc2ccccc2s1)NC1CCN(Cc2cccnc2)CC1 ZINC000172243454 1425963583 /nfs/dbraw/zinc/96/35/83/1425963583.db2.gz YSRCGYKRQSRFDG-BQYQJAHWSA-N 0 1 378.501 3.485 20 0 GGADMN O=C(Cc1coc(-c2cccs2)n1)NC1CCN(Cc2cccnc2)CC1 ZINC000172245125 1425963596 /nfs/dbraw/zinc/96/35/96/1425963596.db2.gz JQXMXJQEQLJNRQ-UHFFFAOYSA-N 0 1 382.489 3.121 20 0 GGADMN COc1cccc(CN(CCn2cnc3ccccc3c2=O)C[C@H]2CCCO2)c1 ZINC000172245437 1425963652 /nfs/dbraw/zinc/96/36/52/1425963652.db2.gz ROCUOHWGZAIWDR-HXUWFJFHSA-N 0 1 393.487 3.086 20 0 GGADMN O=C(/C=C/c1cnn(-c2ccccc2)c1)NC1CCN(Cc2cccnc2)CC1 ZINC000172243565 1425963685 /nfs/dbraw/zinc/96/36/85/1425963685.db2.gz FPHHHKZQXROKJD-CMDGGOBGSA-N 0 1 387.487 3.061 20 0 GGADMN COc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)ccc1OC(F)F ZINC000172245807 1425964178 /nfs/dbraw/zinc/96/41/78/1425964178.db2.gz BCRVGBMMVAFIGH-UHFFFAOYSA-N 0 1 391.418 3.086 20 0 GGADMN COc1ccc(S[C@@H](C)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000172246132 1425964272 /nfs/dbraw/zinc/96/42/72/1425964272.db2.gz GPTWEBMXJOVVCM-INIZCTEOSA-N 0 1 385.533 3.352 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cccnc1SC(F)F ZINC000172247259 1425965428 /nfs/dbraw/zinc/96/54/28/1425965428.db2.gz ZIROSBJZXKJTEZ-UHFFFAOYSA-N 0 1 378.448 3.186 20 0 GGADMN Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000172275066 1425977221 /nfs/dbraw/zinc/97/72/21/1425977221.db2.gz JCWXJECEHDJWQW-UHFFFAOYSA-N 0 1 392.440 3.000 20 0 GGADMN O=C(CN1CCCCCCC1=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295521 1425985184 /nfs/dbraw/zinc/98/51/84/1425985184.db2.gz OXBSRGHFRQMVJK-UHFFFAOYSA-N 0 1 377.448 3.356 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC[C@@H]1C ZINC000824955384 1425985626 /nfs/dbraw/zinc/98/56/26/1425985626.db2.gz ORBPGTPTUXJCHL-STQMWFEESA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC[C@@H]1C ZINC000824955384 1425985629 /nfs/dbraw/zinc/98/56/29/1425985629.db2.gz ORBPGTPTUXJCHL-STQMWFEESA-N 0 1 388.541 3.114 20 0 GGADMN C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC[C@@H]1C ZINC000824955384 1425985634 /nfs/dbraw/zinc/98/56/34/1425985634.db2.gz ORBPGTPTUXJCHL-STQMWFEESA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H](OCCO)C2)cc1 ZINC000172301692 1425988287 /nfs/dbraw/zinc/98/82/87/1425988287.db2.gz YLHXXJYLUKOFJH-SFTDATJTSA-N 0 1 388.552 3.121 20 0 GGADMN C[C@@H](CCNC(=O)NC[C@H](c1cccc(F)c1)N(C)C)NC(=O)OC(C)(C)C ZINC000172301145 1425988336 /nfs/dbraw/zinc/98/83/36/1425988336.db2.gz IWXUAJTWXBOEIU-WMLDXEAASA-N 0 1 396.507 3.031 20 0 GGADMN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H](OCCO)C2)cc1 ZINC000172301696 1425988364 /nfs/dbraw/zinc/98/83/64/1425988364.db2.gz YLHXXJYLUKOFJH-LEWJYISDSA-N 0 1 388.552 3.121 20 0 GGADMN Cc1[nH]ncc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1 ZINC000172322079 1425997559 /nfs/dbraw/zinc/99/75/59/1425997559.db2.gz WTZDPTAERDDKOJ-UHFFFAOYSA-N 0 1 388.424 3.219 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000172336322 1426005145 /nfs/dbraw/zinc/00/51/45/1426005145.db2.gz NBTDROLNEVJYSJ-UHFFFAOYSA-N 0 1 379.354 3.449 20 0 GGADMN CCCN1CCN(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000172337220 1426005299 /nfs/dbraw/zinc/00/52/99/1426005299.db2.gz NGUHEALPVKIQBZ-UHFFFAOYSA-N 0 1 396.491 3.264 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000172337674 1426005890 /nfs/dbraw/zinc/00/58/90/1426005890.db2.gz HLNBUEJGFWWUGC-GOSISDBHSA-N 0 1 384.480 3.014 20 0 GGADMN CCCN1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1 ZINC000172343201 1426008558 /nfs/dbraw/zinc/00/85/58/1426008558.db2.gz LKTQTQVEBCHRHB-UHFFFAOYSA-N 0 1 375.860 3.482 20 0 GGADMN Cc1cccnc1[C@H](N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1)C(C)C ZINC000172349734 1426011598 /nfs/dbraw/zinc/01/15/98/1426011598.db2.gz QGGSAFZUWKHGAS-TZIWHRDSSA-N 0 1 380.536 3.414 20 0 GGADMN Cc1cccc(N2CCN(C(=O)CN[C@@H](c3ncccc3C)C(C)C)CC2)c1 ZINC000172350079 1426012051 /nfs/dbraw/zinc/01/20/51/1426012051.db2.gz BRPCLZQXIXSLJV-JOCHJYFZSA-N 0 1 380.536 3.334 20 0 GGADMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000172349853 1426012210 /nfs/dbraw/zinc/01/22/10/1426012210.db2.gz NYQGZZMQWVERGC-QFIPXVFZSA-N 0 1 396.535 3.148 20 0 GGADMN CCCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OCC ZINC000825339407 1426012367 /nfs/dbraw/zinc/01/23/67/1426012367.db2.gz ZFERKSLXXCEYPR-UHFFFAOYSA-N 0 1 397.479 3.353 20 0 GGADMN Cc1cccnc1[C@H](NCC(=O)Nc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000172349852 1426012549 /nfs/dbraw/zinc/01/25/49/1426012549.db2.gz NYQGZZMQWVERGC-JOCHJYFZSA-N 0 1 396.535 3.148 20 0 GGADMN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1O)c1cccnc1 ZINC000172357836 1426014077 /nfs/dbraw/zinc/01/40/77/1426014077.db2.gz GFSBXJARRZLVOH-SFHVURJKSA-N 0 1 395.846 3.420 20 0 GGADMN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1nnc2ccccc2c1O ZINC000172373218 1426018290 /nfs/dbraw/zinc/01/82/90/1426018290.db2.gz OVVPRKKXZGOBPT-UHFFFAOYSA-N 0 1 381.285 3.256 20 0 GGADMN Cn1ccnc1COc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000172379676 1426019662 /nfs/dbraw/zinc/01/96/62/1426019662.db2.gz RBJGHVMQFWVKDP-UHFFFAOYSA-N 0 1 394.456 3.348 20 0 GGADMN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(CC5CCOCC5)CC4)cc3c2C1 ZINC000172385635 1426022237 /nfs/dbraw/zinc/02/22/37/1426022237.db2.gz BZYUHYCIEGAPPQ-QGZVFWFLSA-N 0 1 395.547 3.477 20 0 GGADMN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(CC2CCOCC2)CC1 ZINC000172386362 1426022429 /nfs/dbraw/zinc/02/24/29/1426022429.db2.gz ZOYGDBXDKWYZQP-UHFFFAOYSA-N 0 1 381.520 3.231 20 0 GGADMN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCN(CC2CCOCC2)CC1 ZINC000172385692 1426022610 /nfs/dbraw/zinc/02/26/10/1426022610.db2.gz VZCMYLAVPWGCNR-UHFFFAOYSA-N 0 1 395.912 3.241 20 0 GGADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CC=CCC2)c1 ZINC000172395491 1426025355 /nfs/dbraw/zinc/02/53/55/1426025355.db2.gz QHMJPDMCVGYYSO-INIZCTEOSA-N 0 1 386.473 3.335 20 0 GGADMN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000172402018 1426027184 /nfs/dbraw/zinc/02/71/84/1426027184.db2.gz GNVOZTMLWYYCTK-UHFFFAOYSA-N 0 1 388.449 3.382 20 0 GGADMN C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824040230 1426035114 /nfs/dbraw/zinc/03/51/14/1426035114.db2.gz NIWQIGINPDJMEX-MRXNPFEDSA-N 0 1 388.475 3.007 20 0 GGADMN C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824040230 1426035120 /nfs/dbraw/zinc/03/51/20/1426035120.db2.gz NIWQIGINPDJMEX-MRXNPFEDSA-N 0 1 388.475 3.007 20 0 GGADMN CCN(C(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1)C1CCCCC1 ZINC000172432779 1426042258 /nfs/dbraw/zinc/04/22/58/1426042258.db2.gz XYDLQOPJOHABTC-ROUUACIJSA-N 0 1 383.540 3.478 20 0 GGADMN C[C@H](C[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000736002627 1426044076 /nfs/dbraw/zinc/04/40/76/1426044076.db2.gz RNWPPIFTLOEDMM-MRXNPFEDSA-N 0 1 390.491 3.321 20 0 GGADMN Clc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826352870 1426044653 /nfs/dbraw/zinc/04/46/53/1426044653.db2.gz QUHQCACFRVAITC-LJQANCHMSA-N 0 1 399.882 3.363 20 0 GGADMN Clc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826352870 1426044656 /nfs/dbraw/zinc/04/46/56/1426044656.db2.gz QUHQCACFRVAITC-LJQANCHMSA-N 0 1 399.882 3.363 20 0 GGADMN O=C(c1occc1COc1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000172459830 1426048100 /nfs/dbraw/zinc/04/81/00/1426048100.db2.gz GUEBWTLSCWNCOZ-UHFFFAOYSA-N 0 1 384.476 3.043 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CCN(Cc2ccncc2)CC1 ZINC000172459853 1426048131 /nfs/dbraw/zinc/04/81/31/1426048131.db2.gz CGQLSCPWONDVGQ-OAQYLSRUSA-N 0 1 396.491 3.035 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CCN(Cc2ccncc2)CC1 ZINC000172459857 1426048306 /nfs/dbraw/zinc/04/83/06/1426048306.db2.gz CGQLSCPWONDVGQ-NRFANRHFSA-N 0 1 396.491 3.035 20 0 GGADMN CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172460896 1426049273 /nfs/dbraw/zinc/04/92/73/1426049273.db2.gz YAFXWBMXXFFMSJ-UHFFFAOYSA-N 0 1 380.916 3.068 20 0 GGADMN CC(C)Oc1ccc(Cl)cc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172461160 1426049346 /nfs/dbraw/zinc/04/93/46/1426049346.db2.gz VDLYYTFCRWQFPG-UHFFFAOYSA-N 0 1 380.916 3.312 20 0 GGADMN Cc1nc(-c2ccccc2)c(C(=O)N2CCN(CC3CCOCC3)CC2)s1 ZINC000172461342 1426050382 /nfs/dbraw/zinc/05/03/82/1426050382.db2.gz ZYQOKBCVKGWNQV-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN O=C(c1csc(-c2ccccc2F)n1)N1CCN(CC2CCOCC2)CC1 ZINC000172463355 1426050643 /nfs/dbraw/zinc/05/06/43/1426050643.db2.gz YUAXHFYJGUMXED-UHFFFAOYSA-N 0 1 389.496 3.134 20 0 GGADMN Cc1ccccc1-c1nc(C(=O)N2CCN(CC3CCOCC3)CC2)cs1 ZINC000172463984 1426050722 /nfs/dbraw/zinc/05/07/22/1426050722.db2.gz KZYXYZMICQTTPI-UHFFFAOYSA-N 0 1 385.533 3.303 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCS[C@@H](C)[C@H]2C)N2CCCC2)cc1 ZINC000172467641 1426052227 /nfs/dbraw/zinc/05/22/27/1426052227.db2.gz IYHHZRZRQRCJCP-GJYPPUQNSA-N 0 1 377.554 3.368 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCS[C@H](C)[C@H]2C)N2CCCC2)cc1 ZINC000172467648 1426052368 /nfs/dbraw/zinc/05/23/68/1426052368.db2.gz IYHHZRZRQRCJCP-MDZRGWNJSA-N 0 1 377.554 3.368 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@H]3CC=CCC3)CC2)c1C ZINC000172480588 1426055171 /nfs/dbraw/zinc/05/51/71/1426055171.db2.gz SOHQGHHPAJTEPF-SFHVURJKSA-N 0 1 386.540 3.422 20 0 GGADMN O=c1[nH]c(CN2CCN(Cc3ccc4ccccc4c3)CC2)nc2ccccc21 ZINC000172524341 1426070504 /nfs/dbraw/zinc/07/05/04/1426070504.db2.gz ZZZFAHIHNDFDPK-UHFFFAOYSA-N 0 1 384.483 3.394 20 0 GGADMN Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000826293375 1426081357 /nfs/dbraw/zinc/08/13/57/1426081357.db2.gz NBGIRULIRUKEEK-MRXNPFEDSA-N 0 1 388.475 3.182 20 0 GGADMN C[C@@H](C[N@@H+](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccccc1 ZINC000824412979 1426081760 /nfs/dbraw/zinc/08/17/60/1426081760.db2.gz IBTYRCYSUUDCIU-JXFKEZNVSA-N 0 1 390.491 3.098 20 0 GGADMN CCC[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1 ZINC000821109770 1426082634 /nfs/dbraw/zinc/08/26/34/1426082634.db2.gz OKFIQGDGCUSOFR-UHFFFAOYSA-N 0 1 375.436 3.329 20 0 GGADMN CCC[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1 ZINC000821109770 1426082643 /nfs/dbraw/zinc/08/26/43/1426082643.db2.gz OKFIQGDGCUSOFR-UHFFFAOYSA-N 0 1 375.436 3.329 20 0 GGADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172555362 1426084872 /nfs/dbraw/zinc/08/48/72/1426084872.db2.gz IIWSNTYRBNEOOS-FHWLQOOXSA-N 0 1 391.519 3.483 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCSC[C@H]2C)CC1 ZINC000172577141 1426095369 /nfs/dbraw/zinc/09/53/69/1426095369.db2.gz GYMOAJQQMXLZMO-HZPDHXFCSA-N 0 1 394.560 3.176 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293165 1426095938 /nfs/dbraw/zinc/09/59/38/1426095938.db2.gz NOLHGSSDVPXVLQ-JXXFODFXSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293165 1426095946 /nfs/dbraw/zinc/09/59/46/1426095946.db2.gz NOLHGSSDVPXVLQ-JXXFODFXSA-N 0 1 379.464 3.096 20 0 GGADMN CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824353250 1426098084 /nfs/dbraw/zinc/09/80/84/1426098084.db2.gz ZNWJJHICSYPPNW-YJBOKZPZSA-N 0 1 381.480 3.081 20 0 GGADMN O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCN(CC2CCOCC2)CC1 ZINC000172584948 1426099017 /nfs/dbraw/zinc/09/90/17/1426099017.db2.gz LLPVDEUSIGVDRN-HZPDHXFCSA-N 0 1 380.891 3.153 20 0 GGADMN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCN(CC2CCOCC2)CC1 ZINC000172584952 1426099258 /nfs/dbraw/zinc/09/92/58/1426099258.db2.gz LLPVDEUSIGVDRN-JKSUJKDBSA-N 0 1 380.891 3.153 20 0 GGADMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000172587453 1426100028 /nfs/dbraw/zinc/10/00/28/1426100028.db2.gz JFWNNLTTXUYVAG-QZTJIDSGSA-N 0 1 385.552 3.193 20 0 GGADMN COc1cc(CNCC(=O)N2CCCc3ccccc32)c(SC)cc1OC ZINC000172597228 1426105454 /nfs/dbraw/zinc/10/54/54/1426105454.db2.gz OIJBYZMCSURTFP-UHFFFAOYSA-N 0 1 386.517 3.495 20 0 GGADMN Cc1ccn2cc(CNc3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc34)nc2c1 ZINC000822196613 1426112021 /nfs/dbraw/zinc/11/20/21/1426112021.db2.gz QBFOYQGPUPDTDI-UHFFFAOYSA-N 0 1 384.447 3.022 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000172616170 1426115442 /nfs/dbraw/zinc/11/54/42/1426115442.db2.gz LNIBCTMISNDQIU-UHFFFAOYSA-N 0 1 378.461 3.017 20 0 GGADMN O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2O)C1 ZINC000172621946 1426117086 /nfs/dbraw/zinc/11/70/86/1426117086.db2.gz QISPIGWYFQPBBN-AWEZNQCLSA-N 0 1 388.851 3.302 20 0 GGADMN O=C(c1ccc(F)cc1)[C@H]1CCCN(C[C@H](O)COc2ccccc2F)C1 ZINC000172625684 1426117989 /nfs/dbraw/zinc/11/79/89/1426117989.db2.gz RPDIZRHRKUMHDU-WMZOPIPTSA-N 0 1 375.415 3.299 20 0 GGADMN c1cnn(-c2ccc(C[N@@H+]3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2)c1 ZINC000823867812 1426119119 /nfs/dbraw/zinc/11/91/19/1426119119.db2.gz IYIBHPSYQIJAHD-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1cn(-c2ccccc2)nn1 ZINC000824546393 1426124504 /nfs/dbraw/zinc/12/45/04/1426124504.db2.gz IMRDASURDGPMEU-AUUYWEPGSA-N 0 1 386.463 3.176 20 0 GGADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)Cc1nnc[nH]1 ZINC000172645888 1426124912 /nfs/dbraw/zinc/12/49/12/1426124912.db2.gz KOSBFPXBKYFICR-UHFFFAOYSA-N 0 1 393.278 3.115 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4ccc(Cl)cc43)n2)cc1 ZINC000172660339 1426131740 /nfs/dbraw/zinc/13/17/40/1426131740.db2.gz PLNGKVCCKZCZLH-UHFFFAOYSA-N 0 1 383.839 3.406 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4ccc(Cl)cc43)n[nH]2)cc1 ZINC000172660339 1426131746 /nfs/dbraw/zinc/13/17/46/1426131746.db2.gz PLNGKVCCKZCZLH-UHFFFAOYSA-N 0 1 383.839 3.406 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCc4ccccc4[C@@H]3C)n2)cc1 ZINC000172660998 1426132368 /nfs/dbraw/zinc/13/23/68/1426132368.db2.gz ZQYDDGXZRQFPOC-AWEZNQCLSA-N 0 1 377.448 3.309 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCc4ccccc4[C@@H]3C)n[nH]2)cc1 ZINC000172660998 1426132375 /nfs/dbraw/zinc/13/23/75/1426132375.db2.gz ZQYDDGXZRQFPOC-AWEZNQCLSA-N 0 1 377.448 3.309 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CCCc4ccccc4C3)n2)cc1 ZINC000172660742 1426132473 /nfs/dbraw/zinc/13/24/73/1426132473.db2.gz HMYRVRYUEMFXBN-UHFFFAOYSA-N 0 1 377.448 3.138 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3CCCc4ccccc4C3)n[nH]2)cc1 ZINC000172660742 1426132483 /nfs/dbraw/zinc/13/24/83/1426132483.db2.gz HMYRVRYUEMFXBN-UHFFFAOYSA-N 0 1 377.448 3.138 20 0 GGADMN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000172663153 1426133370 /nfs/dbraw/zinc/13/33/70/1426133370.db2.gz NZUWDHACGCJXLO-PXNSSMCTSA-N 0 1 399.535 3.224 20 0 GGADMN COc1cccc(Oc2ncccc2CNC(=O)N2CCN(CC(C)C)CC2)c1 ZINC000172663878 1426133460 /nfs/dbraw/zinc/13/34/60/1426133460.db2.gz WDGHLBFNBWUXIQ-UHFFFAOYSA-N 0 1 398.507 3.366 20 0 GGADMN COc1cc(C)ccc1NC(=O)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000172664650 1426134034 /nfs/dbraw/zinc/13/40/34/1426134034.db2.gz ATGIYNMLUKXIMC-SFHVURJKSA-N 0 1 395.503 3.065 20 0 GGADMN O=C1CCCN1Cc1ccccc1CN[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000172669555 1426136001 /nfs/dbraw/zinc/13/60/01/1426136001.db2.gz HCZZXOJSZAKZJG-HXUWFJFHSA-N 0 1 397.906 3.358 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)CCCN1CCCS(=O)(=O)c1ccccc1 ZINC000172669385 1426136035 /nfs/dbraw/zinc/13/60/35/1426136035.db2.gz OHMIWMLQAVHNLQ-FQEVSTJZSA-N 0 1 386.561 3.447 20 0 GGADMN CN1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826029371 1426137883 /nfs/dbraw/zinc/13/78/83/1426137883.db2.gz RLXGWRKVZOGHAG-CVEARBPZSA-N 0 1 392.891 3.256 20 0 GGADMN COc1cc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc(OC)c1OC ZINC000172682281 1426141188 /nfs/dbraw/zinc/14/11/88/1426141188.db2.gz LXMSNXNLZCUYML-IBGZPJMESA-N 0 1 398.503 3.383 20 0 GGADMN CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000172683208 1426141300 /nfs/dbraw/zinc/14/13/00/1426141300.db2.gz MKQLLURRCIAFDD-LJQANCHMSA-N 0 1 387.505 3.051 20 0 GGADMN COC1(C)CC[NH+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000826143483 1426142709 /nfs/dbraw/zinc/14/27/09/1426142709.db2.gz BHUAXZSRUPPZGU-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172690748 1426144401 /nfs/dbraw/zinc/14/44/01/1426144401.db2.gz SIUAOKWRKMHGKA-OAHLLOKOSA-N 0 1 386.496 3.002 20 0 GGADMN CN(CC(=O)Nc1cccc(Cl)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172692688 1426145743 /nfs/dbraw/zinc/14/57/43/1426145743.db2.gz GABHDSPXLDQKTQ-CQSZACIVSA-N 0 1 381.904 3.467 20 0 GGADMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172692171 1426145821 /nfs/dbraw/zinc/14/58/21/1426145821.db2.gz QUKXRPNFJHEFSK-HOTGVXAUSA-N 0 1 396.553 3.340 20 0 GGADMN CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)C1CCC1 ZINC000172692722 1426145933 /nfs/dbraw/zinc/14/59/33/1426145933.db2.gz DWKHIPLEWWCQCK-UHFFFAOYSA-N 0 1 394.880 3.471 20 0 GGADMN O=C(NC[C@H](CCO)c1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000172694658 1426147433 /nfs/dbraw/zinc/14/74/33/1426147433.db2.gz NAXSADUTLNCUPF-FQEVSTJZSA-N 0 1 399.510 3.256 20 0 GGADMN CN(C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C1CCC1 ZINC000172702651 1426150736 /nfs/dbraw/zinc/15/07/36/1426150736.db2.gz HMNNYFATRYWETF-UHFFFAOYSA-N 0 1 394.880 3.471 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(OC)cc1)c1ccco1 ZINC000172712995 1426155515 /nfs/dbraw/zinc/15/55/15/1426155515.db2.gz PIPHKTLYBAKAMQ-SFHVURJKSA-N 0 1 382.464 3.491 20 0 GGADMN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2C)C1 ZINC000172722278 1426160042 /nfs/dbraw/zinc/16/00/42/1426160042.db2.gz RTFRPIHCOJPGFZ-DLBZAZTESA-N 0 1 390.549 3.462 20 0 GGADMN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000172722141 1426160209 /nfs/dbraw/zinc/16/02/09/1426160209.db2.gz NZQFOGISYGMKLQ-SJORKVTESA-N 0 1 376.522 3.153 20 0 GGADMN Cc1ccc([C@H](NC(=O)C(F)(F)F)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000172727332 1426162452 /nfs/dbraw/zinc/16/24/52/1426162452.db2.gz OKFAJALKPIROHP-MRXNPFEDSA-N 0 1 385.407 3.475 20 0 GGADMN CCN(CC(=O)Nc1c(F)cccc1F)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172731214 1426164666 /nfs/dbraw/zinc/16/46/66/1426164666.db2.gz LRLNPVFRWCLMKC-AWEZNQCLSA-N 0 1 397.466 3.482 20 0 GGADMN Cc1cccc(OC(F)F)c1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000172733549 1426165998 /nfs/dbraw/zinc/16/59/98/1426165998.db2.gz DRRJCUWTBANVPN-UHFFFAOYSA-N 0 1 390.434 3.142 20 0 GGADMN CC(C)C[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)C[C@@H](O)c1ccc(F)cc1 ZINC000824261497 1426166147 /nfs/dbraw/zinc/16/61/47/1426166147.db2.gz MAKDKDXEEPZEGE-GOSISDBHSA-N 0 1 387.434 3.337 20 0 GGADMN C[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)Cc1nc2c(s1)CCCC2 ZINC000821600363 1426174022 /nfs/dbraw/zinc/17/40/22/1426174022.db2.gz JILWLKHROJUGOO-UHFFFAOYSA-N 0 1 384.509 3.103 20 0 GGADMN C[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)Cc1nc2c(s1)CCCC2 ZINC000821600363 1426174028 /nfs/dbraw/zinc/17/40/28/1426174028.db2.gz JILWLKHROJUGOO-UHFFFAOYSA-N 0 1 384.509 3.103 20 0 GGADMN CC(=O)Nc1ccc(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000172773647 1426181847 /nfs/dbraw/zinc/18/18/47/1426181847.db2.gz OINDYRPRVRMWGH-QFIPXVFZSA-N 0 1 379.504 3.358 20 0 GGADMN CC(=O)Nc1ccc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000172773654 1426181977 /nfs/dbraw/zinc/18/19/77/1426181977.db2.gz OINDYRPRVRMWGH-JOCHJYFZSA-N 0 1 379.504 3.358 20 0 GGADMN COc1ccc(OC(C)C)c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000172786940 1426188274 /nfs/dbraw/zinc/18/82/74/1426188274.db2.gz RZJWCKHLILXSPC-UHFFFAOYSA-N 0 1 397.519 3.482 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1OCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000826176132 1426189823 /nfs/dbraw/zinc/18/98/23/1426189823.db2.gz CFOUTPNVXNWRSF-UHFFFAOYSA-N 0 1 387.871 3.432 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000172790154 1426189786 /nfs/dbraw/zinc/18/97/86/1426189786.db2.gz XQYXAVHXRVAJPA-KUHUBIRLSA-N 0 1 394.450 3.432 20 0 GGADMN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)s1 ZINC000172790527 1426189930 /nfs/dbraw/zinc/18/99/30/1426189930.db2.gz SWEFAYRGRGXIIO-MRXNPFEDSA-N 0 1 386.565 3.341 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCCCc3c[nH]c4ccccc34)c2)CC1 ZINC000172793933 1426191822 /nfs/dbraw/zinc/19/18/22/1426191822.db2.gz SAYZIGRMPGEDJM-UHFFFAOYSA-N 0 1 390.531 3.278 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccs1 ZINC000821624038 1426195820 /nfs/dbraw/zinc/19/58/20/1426195820.db2.gz YDRNJSMUVVYVMD-PBHICJAKSA-N 0 1 397.508 3.133 20 0 GGADMN C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccs1 ZINC000821624038 1426195824 /nfs/dbraw/zinc/19/58/24/1426195824.db2.gz YDRNJSMUVVYVMD-PBHICJAKSA-N 0 1 397.508 3.133 20 0 GGADMN C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccs1 ZINC000821624038 1426195826 /nfs/dbraw/zinc/19/58/26/1426195826.db2.gz YDRNJSMUVVYVMD-PBHICJAKSA-N 0 1 397.508 3.133 20 0 GGADMN CCCC[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000736453006 1426197218 /nfs/dbraw/zinc/19/72/18/1426197218.db2.gz JOJXWBQCGUHEAN-UHFFFAOYSA-N 0 1 387.532 3.461 20 0 GGADMN O=S(=O)(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(F)c(F)c(F)c1 ZINC000172810277 1426199159 /nfs/dbraw/zinc/19/91/59/1426199159.db2.gz USIUYGPFPNORSI-ZDUSSCGKSA-N 0 1 387.379 3.463 20 0 GGADMN C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824577914 1426199379 /nfs/dbraw/zinc/19/93/79/1426199379.db2.gz PBUBXLVRUWAKAW-PBHICJAKSA-N 0 1 386.500 3.307 20 0 GGADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC[C@H]2CCCCN2C)c1 ZINC000172831237 1426208256 /nfs/dbraw/zinc/20/82/56/1426208256.db2.gz LFKGEVCWGMTEKB-CQSZACIVSA-N 0 1 386.945 3.080 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824577528 1426210851 /nfs/dbraw/zinc/21/08/51/1426210851.db2.gz MCNGGBDIRBPWAH-ZIAGYGMSSA-N 0 1 384.434 3.322 20 0 GGADMN O[C@H](C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683114 1426217808 /nfs/dbraw/zinc/21/78/08/1426217808.db2.gz YUJJINUFEXGEOX-RTBURBONSA-N 0 1 385.418 3.406 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435445 1426243967 /nfs/dbraw/zinc/24/39/67/1426243967.db2.gz YNHPHCKCJDRPGZ-HNNXBMFYSA-N 0 1 390.491 3.342 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1c(F)cccc1F ZINC000172897617 1426244335 /nfs/dbraw/zinc/24/43/35/1426244335.db2.gz NLEATYZDNGLONG-VXGBXAGGSA-N 0 1 382.432 3.046 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824577916 1426244760 /nfs/dbraw/zinc/24/47/60/1426244760.db2.gz PBUBXLVRUWAKAW-WMLDXEAASA-N 0 1 386.500 3.307 20 0 GGADMN CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439750 1426248621 /nfs/dbraw/zinc/24/86/21/1426248621.db2.gz MVFNNFDONWBKIY-HNNXBMFYSA-N 0 1 388.479 3.245 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)ccc1F ZINC000172906796 1426252232 /nfs/dbraw/zinc/25/22/32/1426252232.db2.gz CTYVBPQKMJHFMY-UHFFFAOYSA-N 0 1 392.330 3.325 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)ccc1C ZINC000172907154 1426252785 /nfs/dbraw/zinc/25/27/85/1426252785.db2.gz LEEGNSUTDWHBLW-UHFFFAOYSA-N 0 1 388.367 3.495 20 0 GGADMN Cc1ccc(C(N)=O)cc1NC(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000172908968 1426253456 /nfs/dbraw/zinc/25/34/56/1426253456.db2.gz CLBXCYSAYOKODA-UHFFFAOYSA-N 0 1 386.358 3.338 20 0 GGADMN C[C@@H]1Cc2ccccc2CN1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172907755 1426253952 /nfs/dbraw/zinc/25/39/52/1426253952.db2.gz LOQBXFFRDVSSQN-LJQANCHMSA-N 0 1 397.563 3.074 20 0 GGADMN C[C@H](CNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)Sc1ccccc1 ZINC000172915697 1426260322 /nfs/dbraw/zinc/26/03/22/1426260322.db2.gz MATVSRSKRQCGFN-GFCCVEGCSA-N 0 1 385.514 3.133 20 0 GGADMN CNC(=O)c1cccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1 ZINC000172922773 1426265467 /nfs/dbraw/zinc/26/54/67/1426265467.db2.gz ORWMDYGHFAZWQV-UHFFFAOYSA-N 0 1 383.517 3.156 20 0 GGADMN Cc1ccc(-c2nn(CN3CC[C@H](CN4CCOCC4)C3)c(=S)o2)c(C)c1 ZINC000172935401 1426272770 /nfs/dbraw/zinc/27/27/70/1426272770.db2.gz MEOYTNGWJOYKJY-QGZVFWFLSA-N 0 1 388.537 3.101 20 0 GGADMN FC(F)n1c2ccccc2n(CN2CC[C@@H](CN3CCOCC3)C2)c1=S ZINC000172935266 1426273614 /nfs/dbraw/zinc/27/36/14/1426273614.db2.gz ONFNGQRZMZCMMA-AWEZNQCLSA-N 0 1 382.480 3.179 20 0 GGADMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000172961034 1426284954 /nfs/dbraw/zinc/28/49/54/1426284954.db2.gz NGHQSYJRUNRWAR-UHFFFAOYSA-N 0 1 384.423 3.047 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172966836 1426286759 /nfs/dbraw/zinc/28/67/59/1426286759.db2.gz IEYXMKCXRLXKPU-JCGIZDLHSA-N 0 1 381.476 3.124 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000172976983 1426290481 /nfs/dbraw/zinc/29/04/81/1426290481.db2.gz QBFFHVMKXZAOMT-UHFFFAOYSA-N 0 1 385.895 3.094 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)N2CCCC2)o1 ZINC000172977832 1426291104 /nfs/dbraw/zinc/29/11/04/1426291104.db2.gz OMROENXUEKPIFA-HXUWFJFHSA-N 0 1 395.503 3.432 20 0 GGADMN COCCOCc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1F ZINC000172981338 1426291750 /nfs/dbraw/zinc/29/17/50/1426291750.db2.gz DRFMAMYHJKPWJG-HXUWFJFHSA-N 0 1 392.446 3.161 20 0 GGADMN CC[NH+](CC)CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821190055 1426292659 /nfs/dbraw/zinc/29/26/59/1426292659.db2.gz YMBMPZHMNLFIBH-UHFFFAOYSA-N 0 1 396.520 3.090 20 0 GGADMN Cc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000172982058 1426292920 /nfs/dbraw/zinc/29/29/20/1426292920.db2.gz GCIMNFUWMCNSEA-UHFFFAOYSA-N 0 1 394.460 3.081 20 0 GGADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1csc(-c2ccccn2)n1 ZINC000172983429 1426293968 /nfs/dbraw/zinc/29/39/68/1426293968.db2.gz LTDDAABTBPWBJW-UHFFFAOYSA-N 0 1 379.445 3.377 20 0 GGADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172988188 1426297158 /nfs/dbraw/zinc/29/71/58/1426297158.db2.gz ZWZKTEMSVYFNCD-UHFFFAOYSA-N 0 1 394.456 3.293 20 0 GGADMN CC(C)(C)c1nc2ccc(S(=O)(=O)NC3CCN(C4CC4)CC3)cc2s1 ZINC000173000107 1426302779 /nfs/dbraw/zinc/30/27/79/1426302779.db2.gz UPBNNCSQBAAVKX-UHFFFAOYSA-N 0 1 393.578 3.499 20 0 GGADMN CC(C)CC(=O)Nc1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000173010635 1426306585 /nfs/dbraw/zinc/30/65/85/1426306585.db2.gz VGCCLRPDNXILOR-HOTGVXAUSA-N 0 1 393.503 3.039 20 0 GGADMN CC(C)CC(=O)Nc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000173010628 1426306788 /nfs/dbraw/zinc/30/67/88/1426306788.db2.gz VGCCLRPDNXILOR-IYBDPMFKSA-N 0 1 393.503 3.039 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)n[nH]1 ZINC000173025753 1426313260 /nfs/dbraw/zinc/31/32/60/1426313260.db2.gz UZRMDIKTPKMUDA-UHFFFAOYSA-N 0 1 383.408 3.342 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000173025753 1426313267 /nfs/dbraw/zinc/31/32/67/1426313267.db2.gz UZRMDIKTPKMUDA-UHFFFAOYSA-N 0 1 383.408 3.342 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000737526030 1426327310 /nfs/dbraw/zinc/32/73/10/1426327310.db2.gz VNTHVRHHPWAEKY-UHFFFAOYSA-N 0 1 392.511 3.437 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570252 1426333791 /nfs/dbraw/zinc/33/37/91/1426333791.db2.gz MNOMPBVUGJTVCD-MEDUHNTESA-N 0 1 377.370 3.270 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 ZINC000173082678 1426334847 /nfs/dbraw/zinc/33/48/47/1426334847.db2.gz BZOSVTJHKYPTMY-SFHVURJKSA-N 0 1 385.533 3.363 20 0 GGADMN CN(C)[C@H](CNC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000173082222 1426334903 /nfs/dbraw/zinc/33/49/03/1426334903.db2.gz KRUZNGGAWCJQFW-HUUCEWRRSA-N 0 1 381.542 3.257 20 0 GGADMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000173085109 1426335794 /nfs/dbraw/zinc/33/57/94/1426335794.db2.gz BXCIWNGQVNQKQB-LJQANCHMSA-N 0 1 381.476 3.124 20 0 GGADMN CC(=O)N1CCC(CCC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000173087102 1426336891 /nfs/dbraw/zinc/33/68/91/1426336891.db2.gz CHDAMXSVBMXACA-UHFFFAOYSA-N 0 1 385.552 3.148 20 0 GGADMN C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000824426763 1426338065 /nfs/dbraw/zinc/33/80/65/1426338065.db2.gz HPVMQLTYHONBTG-AWEZNQCLSA-N 0 1 391.454 3.300 20 0 GGADMN CCCN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CC1CCOCC1 ZINC000173092417 1426338727 /nfs/dbraw/zinc/33/87/27/1426338727.db2.gz DBKAYTREMIPHSF-NRFANRHFSA-N 0 1 394.581 3.119 20 0 GGADMN COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826180203 1426338795 /nfs/dbraw/zinc/33/87/95/1426338795.db2.gz XKHLGAIQPSCNQL-JTQLQIEISA-N 0 1 375.379 3.013 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)c3c4c(sc3-n3cccc3)CCCC4)CCO2)n[nH]1 ZINC000173092187 1426338924 /nfs/dbraw/zinc/33/89/24/1426338924.db2.gz JXLUNXRWCJPTFZ-OAHLLOKOSA-N 0 1 397.504 3.058 20 0 GGADMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CCO2)n[nH]1 ZINC000173098679 1426340704 /nfs/dbraw/zinc/34/07/04/1426340704.db2.gz AXWAMRJPEKAXNF-KFWWJZLASA-N 0 1 394.397 3.090 20 0 GGADMN CCc1nc([C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)CCO2)n[nH]1 ZINC000173098686 1426340885 /nfs/dbraw/zinc/34/08/85/1426340885.db2.gz AXWAMRJPEKAXNF-RBSFLKMASA-N 0 1 394.397 3.090 20 0 GGADMN CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H](N4CCCC4)C3)cc2s1 ZINC000173102730 1426342904 /nfs/dbraw/zinc/34/29/04/1426342904.db2.gz FMKVBZDIYTZNAY-AWEZNQCLSA-N 0 1 393.578 3.453 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000173106459 1426344452 /nfs/dbraw/zinc/34/44/52/1426344452.db2.gz PJKAYGXBAALYES-UHFFFAOYSA-N 0 1 398.463 3.362 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000173106565 1426344665 /nfs/dbraw/zinc/34/46/65/1426344665.db2.gz NWDDNHBHMNIVSZ-UONOGXRCSA-N 0 1 389.858 3.382 20 0 GGADMN Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c12 ZINC000173106410 1426344798 /nfs/dbraw/zinc/34/47/98/1426344798.db2.gz CHJAMRCLYARQJT-UHFFFAOYSA-N 0 1 395.463 3.067 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000173105805 1426344822 /nfs/dbraw/zinc/34/48/22/1426344822.db2.gz UHAFAVXZSAPSPO-UHFFFAOYSA-N 0 1 386.502 3.284 20 0 GGADMN C[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000820666220 1426347378 /nfs/dbraw/zinc/34/73/78/1426347378.db2.gz HFIJUFIDYSFTOE-QAPCUYQASA-N 0 1 389.507 3.215 20 0 GGADMN C[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000820666220 1426347384 /nfs/dbraw/zinc/34/73/84/1426347384.db2.gz HFIJUFIDYSFTOE-QAPCUYQASA-N 0 1 389.507 3.215 20 0 GGADMN C[C@@H]1C[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000820666220 1426347390 /nfs/dbraw/zinc/34/73/90/1426347390.db2.gz HFIJUFIDYSFTOE-QAPCUYQASA-N 0 1 389.507 3.215 20 0 GGADMN CCN(CC)[C@H](C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1)c1ccccc1 ZINC000173113068 1426348885 /nfs/dbraw/zinc/34/88/85/1426348885.db2.gz BMNCFSRRGGIQGT-QFIPXVFZSA-N 0 1 392.503 3.409 20 0 GGADMN COc1ccc2sc(C(=O)N3CCC(CN4CCOCC4)CC3)c(C)c2c1 ZINC000173113534 1426349173 /nfs/dbraw/zinc/34/91/73/1426349173.db2.gz LYCIZSLSXCFVHM-UHFFFAOYSA-N 0 1 388.533 3.403 20 0 GGADMN COCc1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)no1 ZINC000173114308 1426349583 /nfs/dbraw/zinc/34/95/83/1426349583.db2.gz XICBKYGSRMEGOX-UHFFFAOYSA-N 0 1 377.872 3.116 20 0 GGADMN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1 ZINC000173118505 1426351106 /nfs/dbraw/zinc/35/11/06/1426351106.db2.gz FZMMXAMKCHPLGX-UHFFFAOYSA-N 0 1 377.448 3.049 20 0 GGADMN c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cc1 ZINC001139090316 1426361643 /nfs/dbraw/zinc/36/16/43/1426361643.db2.gz FGZNHWIRAIWVQK-UNMCSNQZSA-N 0 1 375.476 3.405 20 0 GGADMN Cc1cc(-n2cncn2)ccc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000173146106 1426364417 /nfs/dbraw/zinc/36/44/17/1426364417.db2.gz JFDPITCJCIFBJZ-UHFFFAOYSA-N 0 1 393.466 3.109 20 0 GGADMN CNC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000173156005 1426369506 /nfs/dbraw/zinc/36/95/06/1426369506.db2.gz PTUNBRHRUKRQPS-FQEVSTJZSA-N 0 1 395.503 3.012 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCc1ncc(C)s1)N1CCCCC1 ZINC000173160239 1426371439 /nfs/dbraw/zinc/37/14/39/1426371439.db2.gz OTYHMQOCBGEBOF-QGZVFWFLSA-N 0 1 388.537 3.487 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000173162594 1426372061 /nfs/dbraw/zinc/37/20/61/1426372061.db2.gz GBJMENRRGRVSQN-QAPCUYQASA-N 0 1 389.471 3.204 20 0 GGADMN C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C1(N2CCOCC2)CCCC1 ZINC000173181496 1426380772 /nfs/dbraw/zinc/38/07/72/1426380772.db2.gz ZXVHPENDFXDJFL-OAHLLOKOSA-N 0 1 384.442 3.398 20 0 GGADMN C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)C1(N2CCOCC2)CCCC1 ZINC000173184224 1426381669 /nfs/dbraw/zinc/38/16/69/1426381669.db2.gz QVJMROFYKXQJDH-HNNXBMFYSA-N 0 1 389.521 3.095 20 0 GGADMN CC[N@@H+](CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)c1cccc(OC)c1 ZINC000736537970 1426387756 /nfs/dbraw/zinc/38/77/56/1426387756.db2.gz ZRQNBIYJGCTCGV-OAHLLOKOSA-N 0 1 397.479 3.346 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824413520 1426389667 /nfs/dbraw/zinc/38/96/67/1426389667.db2.gz MSZMIGAAIBBJSI-GFCCVEGCSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824413520 1426389673 /nfs/dbraw/zinc/38/96/73/1426389673.db2.gz MSZMIGAAIBBJSI-GFCCVEGCSA-N 0 1 391.401 3.213 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824413520 1426389679 /nfs/dbraw/zinc/38/96/79/1426389679.db2.gz MSZMIGAAIBBJSI-GFCCVEGCSA-N 0 1 391.401 3.213 20 0 GGADMN COc1ccc(-c2ncc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)s2)cc1 ZINC000173210106 1426395886 /nfs/dbraw/zinc/39/58/86/1426395886.db2.gz IKWOLRBZLSOPTO-GJZGRUSLSA-N 0 1 389.521 3.048 20 0 GGADMN Cc1cccc(Oc2ccccc2NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000173210220 1426396049 /nfs/dbraw/zinc/39/60/49/1426396049.db2.gz WHBGYLXRRKLDRP-SFHVURJKSA-N 0 1 391.471 3.199 20 0 GGADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173211698 1426396441 /nfs/dbraw/zinc/39/64/41/1426396441.db2.gz QGVWMSKZGQOHOA-OAHLLOKOSA-N 0 1 393.940 3.252 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)cc2)c1 ZINC000173213160 1426397454 /nfs/dbraw/zinc/39/74/54/1426397454.db2.gz YWVWHHMHWAVSDZ-LJQANCHMSA-N 0 1 391.471 3.199 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)cc2s1 ZINC000173214712 1426398182 /nfs/dbraw/zinc/39/81/82/1426398182.db2.gz PYYOWBONYSIUID-HNNXBMFYSA-N 0 1 398.532 3.005 20 0 GGADMN O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173217001 1426399898 /nfs/dbraw/zinc/39/98/98/1426399898.db2.gz CLOMBLKWCGYLHZ-FQEVSTJZSA-N 0 1 397.519 3.057 20 0 GGADMN CC(C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000173218653 1426401123 /nfs/dbraw/zinc/40/11/23/1426401123.db2.gz SIADEPOTHCBRKN-QGZVFWFLSA-N 0 1 389.565 3.069 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)NCc3ccc(C)cc3)ccc2NC1=O ZINC000173223311 1426406444 /nfs/dbraw/zinc/40/64/44/1426406444.db2.gz KSSAWKUHHORICC-GUXCAODWSA-N 0 1 395.503 3.460 20 0 GGADMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1c1ccccc1 ZINC001139853324 1426406531 /nfs/dbraw/zinc/40/65/31/1426406531.db2.gz NDXVJOYUPQMUFB-PMACEKPBSA-N 0 1 391.475 3.036 20 0 GGADMN CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1c1ccccc1 ZINC001139853324 1426406533 /nfs/dbraw/zinc/40/65/33/1426406533.db2.gz NDXVJOYUPQMUFB-PMACEKPBSA-N 0 1 391.475 3.036 20 0 GGADMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1c1ccccc1 ZINC001139853324 1426406535 /nfs/dbraw/zinc/40/65/35/1426406535.db2.gz NDXVJOYUPQMUFB-PMACEKPBSA-N 0 1 391.475 3.036 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2NC1=O ZINC000173224189 1426408799 /nfs/dbraw/zinc/40/87/99/1426408799.db2.gz MRMDKAZOFCRZIQ-NJSLBKSFSA-N 0 1 399.466 3.291 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cccc(Cl)c1 ZINC000820411291 1426409635 /nfs/dbraw/zinc/40/96/35/1426409635.db2.gz IDKKOHCUZRFAHG-CYBMUJFWSA-N 0 1 383.887 3.235 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC000173226149 1426411440 /nfs/dbraw/zinc/41/14/40/1426411440.db2.gz XYHLOBZHXPZENJ-UHFFFAOYSA-N 0 1 385.468 3.084 20 0 GGADMN CC[C@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000173227738 1426412492 /nfs/dbraw/zinc/41/24/92/1426412492.db2.gz GTQCAJWVDXFGQU-YZVOILCLSA-N 0 1 381.476 3.152 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CCC3CC3)c2-c2nn[n-]n2)C1 ZINC000824967821 1426418811 /nfs/dbraw/zinc/41/88/11/1426418811.db2.gz NGTBQNIPQOAUQL-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@H+](C)CCC3CC3)c2-c2nnn[n-]2)C1 ZINC000824967821 1426418813 /nfs/dbraw/zinc/41/88/13/1426418813.db2.gz NGTBQNIPQOAUQL-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CCC3CC3)c2-c2nnn[n-]2)C1 ZINC000824967821 1426418816 /nfs/dbraw/zinc/41/88/16/1426418816.db2.gz NGTBQNIPQOAUQL-GFCCVEGCSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@@](C)(NC(=O)CCN1CCN(c2ccccc2)CC1)c1nc(C)cs1 ZINC000173238345 1426423789 /nfs/dbraw/zinc/42/37/89/1426423789.db2.gz PWNJRAIINJOUNF-OAQYLSRUSA-N 0 1 386.565 3.405 20 0 GGADMN Cc1cccc(-c2ccc(CNC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)cc2)c1 ZINC000173245808 1426427004 /nfs/dbraw/zinc/42/70/04/1426427004.db2.gz ONNZRZHWXGNICF-FQEVSTJZSA-N 0 1 394.563 3.345 20 0 GGADMN CO[C@@H](CNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2)C(C)(C)C ZINC000173256607 1426435678 /nfs/dbraw/zinc/43/56/78/1426435678.db2.gz LIVNMRDQOIHCJA-BEFAXECRSA-N 0 1 389.540 3.163 20 0 GGADMN Cc1csc([C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C2CC2)n1 ZINC000173258921 1426437765 /nfs/dbraw/zinc/43/77/65/1426437765.db2.gz DAARIHGYJFXKQO-LJQANCHMSA-N 0 1 384.549 3.080 20 0 GGADMN Cc1csc([C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C2CC2)n1 ZINC000173258940 1426437849 /nfs/dbraw/zinc/43/78/49/1426437849.db2.gz DAARIHGYJFXKQO-IBGZPJMESA-N 0 1 384.549 3.080 20 0 GGADMN C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c2ccc(F)cc2O1 ZINC000173260904 1426439675 /nfs/dbraw/zinc/43/96/75/1426439675.db2.gz NXICPYITCWACPD-INIZCTEOSA-N 0 1 383.467 3.001 20 0 GGADMN CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)n(C)n1 ZINC000173261815 1426440137 /nfs/dbraw/zinc/44/01/37/1426440137.db2.gz NXRACRMIVHPJMI-UHFFFAOYSA-N 0 1 375.904 3.201 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000823780648 1426442649 /nfs/dbraw/zinc/44/26/49/1426442649.db2.gz UDIOLZAGRRVNKF-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@@H+]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823780648 1426442653 /nfs/dbraw/zinc/44/26/53/1426442653.db2.gz UDIOLZAGRRVNKF-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000823780648 1426442654 /nfs/dbraw/zinc/44/26/54/1426442654.db2.gz UDIOLZAGRRVNKF-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000173271807 1426450159 /nfs/dbraw/zinc/45/01/59/1426450159.db2.gz PIKIQHCDXYIGLB-HZPDHXFCSA-N 0 1 395.459 3.050 20 0 GGADMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000173271772 1426450251 /nfs/dbraw/zinc/45/02/51/1426450251.db2.gz PIKIQHCDXYIGLB-HOTGVXAUSA-N 0 1 395.459 3.050 20 0 GGADMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000173271792 1426450343 /nfs/dbraw/zinc/45/03/43/1426450343.db2.gz PIKIQHCDXYIGLB-JKSUJKDBSA-N 0 1 395.459 3.050 20 0 GGADMN c1csc([C@@H]([NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc2)n1 ZINC000823773582 1426452478 /nfs/dbraw/zinc/45/24/78/1426452478.db2.gz WJWFZLIPOABGMM-SFHVURJKSA-N 0 1 392.488 3.471 20 0 GGADMN CC(C)=CCOc1cccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000173275205 1426453518 /nfs/dbraw/zinc/45/35/18/1426453518.db2.gz KJNHCAUAMYZDKS-UHFFFAOYSA-N 0 1 394.519 3.108 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000826168684 1426455136 /nfs/dbraw/zinc/45/51/36/1426455136.db2.gz VDILJOPSWVMGBX-STXHMFSFSA-N 0 1 379.464 3.226 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000826168684 1426455139 /nfs/dbraw/zinc/45/51/39/1426455139.db2.gz VDILJOPSWVMGBX-STXHMFSFSA-N 0 1 379.464 3.226 20 0 GGADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000173280302 1426457663 /nfs/dbraw/zinc/45/76/63/1426457663.db2.gz JVMDBAQNLQYJPR-HNNXBMFYSA-N 0 1 398.956 3.128 20 0 GGADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736817540 1426461559 /nfs/dbraw/zinc/46/15/59/1426461559.db2.gz CTIHZPJRNNHLDG-GOSISDBHSA-N 0 1 396.882 3.148 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000736817540 1426461562 /nfs/dbraw/zinc/46/15/62/1426461562.db2.gz CTIHZPJRNNHLDG-GOSISDBHSA-N 0 1 396.882 3.148 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822558577 1426463399 /nfs/dbraw/zinc/46/33/99/1426463399.db2.gz ROAPCHUVFSEQQS-INIZCTEOSA-N 0 1 396.520 3.191 20 0 GGADMN Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737339807 1426474314 /nfs/dbraw/zinc/47/43/14/1426474314.db2.gz BOZLPZHGCYRYMQ-UHFFFAOYSA-N 0 1 390.900 3.351 20 0 GGADMN C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824605156 1426478332 /nfs/dbraw/zinc/47/83/32/1426478332.db2.gz FURMZKKDCQQAKN-YJBOKZPZSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824605156 1426478334 /nfs/dbraw/zinc/47/83/34/1426478334.db2.gz FURMZKKDCQQAKN-YJBOKZPZSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824605156 1426478339 /nfs/dbraw/zinc/47/83/39/1426478339.db2.gz FURMZKKDCQQAKN-YJBOKZPZSA-N 0 1 380.471 3.006 20 0 GGADMN Cc1nnc(-c2cccc(NC(=O)CCN3CCN(c4ccccc4)CC3)c2)o1 ZINC000173301838 1426484275 /nfs/dbraw/zinc/48/42/75/1426484275.db2.gz QBAQZNFHNCRWLM-UHFFFAOYSA-N 0 1 391.475 3.196 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)OCO2 ZINC000173309136 1426491995 /nfs/dbraw/zinc/49/19/95/1426491995.db2.gz XSQBLQLDKJHUME-ZIAGYGMSSA-N 0 1 376.478 3.077 20 0 GGADMN C[C@H](CCc1ccco1)[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824413083 1426493061 /nfs/dbraw/zinc/49/30/61/1426493061.db2.gz JIKCVWFIRQWYHA-MXWWQKGMSA-N 0 1 382.468 3.156 20 0 GGADMN COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826189998 1426495174 /nfs/dbraw/zinc/49/51/74/1426495174.db2.gz MEBZHVQKXCEJBR-GOSISDBHSA-N 0 1 395.463 3.230 20 0 GGADMN C[C@@]1(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCCO1 ZINC000820618959 1426514771 /nfs/dbraw/zinc/51/47/71/1426514771.db2.gz UQNNJFWJQFLPOT-NRFANRHFSA-N 0 1 379.464 3.104 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1CNc1cc[nH+]c2ccc(Br)cc12 ZINC000822761863 1426514830 /nfs/dbraw/zinc/51/48/30/1426514830.db2.gz UUQPNPGPKZXLJI-UHFFFAOYSA-N 0 1 399.227 3.351 20 0 GGADMN O=C(c1c[nH]nc1-c1cccc(OC(F)F)c1)N1CCN(C2CCCC2)CC1 ZINC000173341830 1426521103 /nfs/dbraw/zinc/52/11/03/1426521103.db2.gz FOLNJUUTOUCGJZ-UHFFFAOYSA-N 0 1 390.434 3.379 20 0 GGADMN Cc1cc([C@@](C)(O)CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(C)o1 ZINC000173348188 1426525642 /nfs/dbraw/zinc/52/56/42/1426525642.db2.gz PVERQKYMMHICTI-RXVVDRJESA-N 0 1 389.496 3.223 20 0 GGADMN CSC1(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)CCOCC1 ZINC000173348725 1426526467 /nfs/dbraw/zinc/52/64/67/1426526467.db2.gz VXCRUNMYLYNLLG-MRXNPFEDSA-N 0 1 381.542 3.018 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736290080 1426528921 /nfs/dbraw/zinc/52/89/21/1426528921.db2.gz GTTXROZKQYVVSH-KEYYUXOJSA-N 0 1 386.500 3.163 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736290080 1426528926 /nfs/dbraw/zinc/52/89/26/1426528926.db2.gz GTTXROZKQYVVSH-KEYYUXOJSA-N 0 1 386.500 3.163 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736290080 1426528931 /nfs/dbraw/zinc/52/89/31/1426528931.db2.gz GTTXROZKQYVVSH-KEYYUXOJSA-N 0 1 386.500 3.163 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826350528 1426530886 /nfs/dbraw/zinc/53/08/86/1426530886.db2.gz ADQOMZBVAXFHTD-UHFFFAOYSA-N 0 1 375.908 3.008 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196619 1426531650 /nfs/dbraw/zinc/53/16/50/1426531650.db2.gz LAFJGJRPFKRFPJ-CABCVRRESA-N 0 1 386.500 3.117 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196619 1426531655 /nfs/dbraw/zinc/53/16/55/1426531655.db2.gz LAFJGJRPFKRFPJ-CABCVRRESA-N 0 1 386.500 3.117 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000736196619 1426531657 /nfs/dbraw/zinc/53/16/57/1426531657.db2.gz LAFJGJRPFKRFPJ-CABCVRRESA-N 0 1 386.500 3.117 20 0 GGADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000173356002 1426531876 /nfs/dbraw/zinc/53/18/76/1426531876.db2.gz GVOWIWUMWKJBOB-CQSZACIVSA-N 0 1 386.439 3.476 20 0 GGADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000173355990 1426531970 /nfs/dbraw/zinc/53/19/70/1426531970.db2.gz GVOWIWUMWKJBOB-AWEZNQCLSA-N 0 1 386.439 3.476 20 0 GGADMN COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@H](O)C2)N2CCCCC2)cc1 ZINC000173358283 1426532942 /nfs/dbraw/zinc/53/29/42/1426532942.db2.gz VBFUKZZONNTTQT-CUWPLCDZSA-N 0 1 389.540 3.073 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCC(C)(C)C[C@@H](C)O)N2CCCCC2)cc1 ZINC000173358000 1426533045 /nfs/dbraw/zinc/53/30/45/1426533045.db2.gz WXPFSYCLKGBYQV-XLIONFOSSA-N 0 1 391.556 3.319 20 0 GGADMN COc1ccc([C@H](CNC(=O)NCC(C)(C)C[C@H](C)O)N2CCCCC2)cc1 ZINC000173357986 1426533167 /nfs/dbraw/zinc/53/31/67/1426533167.db2.gz WXPFSYCLKGBYQV-PXNSSMCTSA-N 0 1 391.556 3.319 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000173360183 1426534252 /nfs/dbraw/zinc/53/42/52/1426534252.db2.gz RISKNFAACGRTOM-IBGZPJMESA-N 0 1 395.547 3.146 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)N(C)C)cc1OC ZINC000173364406 1426537897 /nfs/dbraw/zinc/53/78/97/1426537897.db2.gz VAWHNIRFOZDLMI-SZMVWBNQSA-N 0 1 375.513 3.281 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](CC(C)C)C2)N(C)C)cc1OC ZINC000173364303 1426537952 /nfs/dbraw/zinc/53/79/52/1426537952.db2.gz STEDVYFDFVHAIS-AEFFLSMTSA-N 0 1 377.529 3.384 20 0 GGADMN CC(C)[C@@H](CNC(=O)c1cc(C2CC2)nc2ccc(F)cc21)N1CCN(C)CC1 ZINC000173391015 1426568366 /nfs/dbraw/zinc/56/83/66/1426568366.db2.gz DJETWEYNFXPQCZ-JOCHJYFZSA-N 0 1 398.526 3.253 20 0 GGADMN CC(C)c1nnnn1CC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000173390612 1426568984 /nfs/dbraw/zinc/56/89/84/1426568984.db2.gz YJRNOPPBTNINGP-UHFFFAOYSA-N 0 1 379.399 3.118 20 0 GGADMN COCCOC[C@H]1CCN(Cn2nc3c4c2cccc4C(=O)c2ccccc2-3)C1 ZINC000173391565 1426569617 /nfs/dbraw/zinc/56/96/17/1426569617.db2.gz RYKFOUSHXAILOM-INIZCTEOSA-N 0 1 391.471 3.190 20 0 GGADMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825218540 1426574732 /nfs/dbraw/zinc/57/47/32/1426574732.db2.gz DGLHAHSNFWJBLQ-OAHLLOKOSA-N 0 1 383.477 3.224 20 0 GGADMN CCc1ccc2c(C[NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)cc(=O)oc2c1 ZINC000825718031 1426580171 /nfs/dbraw/zinc/58/01/71/1426580171.db2.gz UFOKXVAODJPOEF-UHFFFAOYSA-N 0 1 387.443 3.314 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)CCc1cccn1C)N1CCCC1 ZINC000173401869 1426585818 /nfs/dbraw/zinc/58/58/18/1426585818.db2.gz PNOGLAQSBBEQAG-RXVVDRJESA-N 0 1 398.551 3.491 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCc1cccc(N2CC=CC2)c1)c1cccc(F)c1 ZINC000173406422 1426590009 /nfs/dbraw/zinc/59/00/09/1426590009.db2.gz CWVXLQDGNKDFCZ-NRFANRHFSA-N 0 1 382.483 3.304 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)cc2C)N2CCCC2)o1 ZINC000173407020 1426590133 /nfs/dbraw/zinc/59/01/33/1426590133.db2.gz LEVXVJMNQXVTRQ-IBGZPJMESA-N 0 1 379.464 3.044 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)c(C)c2)N2CCCC2)o1 ZINC000173406677 1426590253 /nfs/dbraw/zinc/59/02/53/1426590253.db2.gz VTPCXLMNWLSCJX-IBGZPJMESA-N 0 1 379.464 3.044 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000173407744 1426591789 /nfs/dbraw/zinc/59/17/89/1426591789.db2.gz WNCDKIHFOOGNNU-QAPCUYQASA-N 0 1 389.471 3.204 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@@H](C)Oc2ccccc2F)N(C)C)c1 ZINC000173409779 1426593796 /nfs/dbraw/zinc/59/37/96/1426593796.db2.gz XUKLLTDSWYXSFG-DNVCBOLYSA-N 0 1 389.471 3.204 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)N(C)C)c1 ZINC000173411106 1426594574 /nfs/dbraw/zinc/59/45/74/1426594574.db2.gz YQDVMQGZJQMLDA-CZUORRHYSA-N 0 1 389.500 3.039 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCO[C@@H](c4ccco4)C3)c2c1 ZINC000822195595 1426595531 /nfs/dbraw/zinc/59/55/31/1426595531.db2.gz XPHUHQYPBIGAEH-QGZVFWFLSA-N 0 1 376.420 3.203 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C(C)C)c1 ZINC000173413130 1426596285 /nfs/dbraw/zinc/59/62/85/1426596285.db2.gz YPMRWIHGOMROPQ-OAQYLSRUSA-N 0 1 383.492 3.103 20 0 GGADMN Cc1c(Cl)cnc(NCc2ccccc2C[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826240482 1426600864 /nfs/dbraw/zinc/60/08/64/1426600864.db2.gz VMJWKQKQVLPZRD-UHFFFAOYSA-N 0 1 383.887 3.431 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000173420110 1426602484 /nfs/dbraw/zinc/60/24/84/1426602484.db2.gz QJHRILKEESRLQJ-DNVCBOLYSA-N 0 1 384.476 3.164 20 0 GGADMN NC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1N1CCCCC1 ZINC000173425692 1426607780 /nfs/dbraw/zinc/60/77/80/1426607780.db2.gz APARUUGTQFAELY-UHFFFAOYSA-N 0 1 389.459 3.418 20 0 GGADMN Cc1csc(C(C)(C)NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 ZINC000173431302 1426611777 /nfs/dbraw/zinc/61/17/77/1426611777.db2.gz WPPOMSDMNAFGAY-UHFFFAOYSA-N 0 1 386.521 3.432 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173438748 1426619695 /nfs/dbraw/zinc/61/96/95/1426619695.db2.gz CMAMZVRZLPZGIR-ROUUACIJSA-N 0 1 383.536 3.077 20 0 GGADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173441640 1426621703 /nfs/dbraw/zinc/62/17/03/1426621703.db2.gz ZNWYILQEACENRJ-MOPGFXCFSA-N 0 1 397.563 3.467 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(c2ccccc2F)CC1 ZINC000735564505 1426622382 /nfs/dbraw/zinc/62/23/82/1426622382.db2.gz XVEJWNIAUPJMCX-CQSZACIVSA-N 0 1 394.454 3.212 20 0 GGADMN O=C1CCCCN1CC1CCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000173443316 1426623623 /nfs/dbraw/zinc/62/36/23/1426623623.db2.gz ZRLIYMHCTGFFSI-GOSISDBHSA-N 0 1 384.442 3.463 20 0 GGADMN O=C1CCCCN1CC1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000173443331 1426623982 /nfs/dbraw/zinc/62/39/82/1426623982.db2.gz ZRLIYMHCTGFFSI-SFHVURJKSA-N 0 1 384.442 3.463 20 0 GGADMN COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000821804970 1426625227 /nfs/dbraw/zinc/62/52/27/1426625227.db2.gz RTDGWSFACNQRBD-LLVKDONJSA-N 0 1 388.269 3.489 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CN2CCCCC2=O)CC1 ZINC000173445677 1426626043 /nfs/dbraw/zinc/62/60/43/1426626043.db2.gz RYDZOSPUWNCELT-LJQANCHMSA-N 0 1 385.552 3.066 20 0 GGADMN COc1cccc([C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[NH+]2CCCC2)c1 ZINC000821864376 1426630106 /nfs/dbraw/zinc/63/01/06/1426630106.db2.gz YIJCKQIHISQWHS-INIZCTEOSA-N 0 1 399.886 3.173 20 0 GGADMN CCCn1ccc2ccc(NC(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)cc21 ZINC000173460597 1426634850 /nfs/dbraw/zinc/63/48/50/1426634850.db2.gz IOSDZBSJCGTXSD-NRFANRHFSA-N 0 1 385.556 3.445 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822965089 1426635970 /nfs/dbraw/zinc/63/59/70/1426635970.db2.gz ZXFLLIOBNDDCCZ-MRXNPFEDSA-N 0 1 396.882 3.166 20 0 GGADMN O=C(CC[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822965089 1426635973 /nfs/dbraw/zinc/63/59/73/1426635973.db2.gz ZXFLLIOBNDDCCZ-MRXNPFEDSA-N 0 1 396.882 3.166 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822965089 1426635975 /nfs/dbraw/zinc/63/59/75/1426635975.db2.gz ZXFLLIOBNDDCCZ-MRXNPFEDSA-N 0 1 396.882 3.166 20 0 GGADMN C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000824938107 1426638609 /nfs/dbraw/zinc/63/86/09/1426638609.db2.gz SVJJLSVTBSCAKM-OXQOHEQNSA-N 0 1 380.540 3.489 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826219689 1426643577 /nfs/dbraw/zinc/64/35/77/1426643577.db2.gz MNEDBRFXXXNRBK-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826219689 1426643580 /nfs/dbraw/zinc/64/35/80/1426643580.db2.gz MNEDBRFXXXNRBK-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826219689 1426643582 /nfs/dbraw/zinc/64/35/82/1426643582.db2.gz MNEDBRFXXXNRBK-QGZVFWFLSA-N 0 1 379.464 3.091 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000173476459 1426650910 /nfs/dbraw/zinc/65/09/10/1426650910.db2.gz IHOOHHTUDYHNPR-OAQYLSRUSA-N 0 1 380.492 3.487 20 0 GGADMN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCCc3cc(-c4nn[n-]n4)ccc31)C2 ZINC000824136428 1426652462 /nfs/dbraw/zinc/65/24/62/1426652462.db2.gz QPWRAJUNAOIHMG-SJLPKXTDSA-N 0 1 391.523 3.343 20 0 GGADMN CN1C(=O)COc2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc21 ZINC000173484639 1426657838 /nfs/dbraw/zinc/65/78/38/1426657838.db2.gz WAOIECLNTRAEKQ-SFHVURJKSA-N 0 1 379.460 3.035 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570250 1426676390 /nfs/dbraw/zinc/67/63/90/1426676390.db2.gz MNOMPBVUGJTVCD-BDJLRTHQSA-N 0 1 377.370 3.270 20 0 GGADMN Clc1ccc(C2=CC[N@@H+](CCOc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000826351740 1426680571 /nfs/dbraw/zinc/68/05/71/1426680571.db2.gz YOGCXUUOXJWQDD-UHFFFAOYSA-N 0 1 382.855 3.083 20 0 GGADMN COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1OC ZINC000826191728 1426681037 /nfs/dbraw/zinc/68/10/37/1426681037.db2.gz OJPKBTCKQBSQPP-KUHUBIRLSA-N 0 1 393.491 3.482 20 0 GGADMN C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)CCN1Cc1ccccc1 ZINC000173513163 1426683502 /nfs/dbraw/zinc/68/35/02/1426683502.db2.gz WLFOIWMAEAYWCL-SFHVURJKSA-N 0 1 375.476 3.004 20 0 GGADMN Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)c(-c2nnn[n-]2)c1C ZINC000826341821 1426684692 /nfs/dbraw/zinc/68/46/92/1426684692.db2.gz QWXFOGBEMYEVEL-ZJUUUORDSA-N 0 1 390.394 3.033 20 0 GGADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4ccc(-c5nn[n-]n5)cc4)CC[C@H]32)cc1 ZINC000823781019 1426685848 /nfs/dbraw/zinc/68/58/48/1426685848.db2.gz YQQRNXBNFFBWPC-FGZHOGPDSA-N 0 1 388.519 3.353 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000173514745 1426685828 /nfs/dbraw/zinc/68/58/28/1426685828.db2.gz YIUZKISWPXRABP-SFHVURJKSA-N 0 1 394.548 3.414 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000173514745 1426685833 /nfs/dbraw/zinc/68/58/33/1426685833.db2.gz YIUZKISWPXRABP-SFHVURJKSA-N 0 1 394.548 3.414 20 0 GGADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccccc1Br ZINC000820275410 1426686293 /nfs/dbraw/zinc/68/62/93/1426686293.db2.gz PZZYINVAXOIDKP-LBPRGKRZSA-N 0 1 388.269 3.186 20 0 GGADMN C[C@H]1CCN(C(=O)c2csc(-c3cnccn3)n2)CCN1Cc1ccccc1 ZINC000173515102 1426686551 /nfs/dbraw/zinc/68/65/51/1426686551.db2.gz MRQVQXYQTDVGDI-INIZCTEOSA-N 0 1 393.516 3.337 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1cccn(C)c1=O)c1ccccc1Cl ZINC000173517395 1426687947 /nfs/dbraw/zinc/68/79/47/1426687947.db2.gz GHOUDPAFXNVEAV-KRWDZBQOSA-N 0 1 376.888 3.243 20 0 GGADMN CC(C)OCCCNC(=O)C1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000173526497 1426700139 /nfs/dbraw/zinc/70/01/39/1426700139.db2.gz QAABGTRLELPYRJ-LJQANCHMSA-N 0 1 382.932 3.017 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000826182630 1426701395 /nfs/dbraw/zinc/70/13/95/1426701395.db2.gz PNTCYABEHOJMBB-SIFCLUCFSA-N 0 1 379.464 3.226 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000826182630 1426701398 /nfs/dbraw/zinc/70/13/98/1426701398.db2.gz PNTCYABEHOJMBB-SIFCLUCFSA-N 0 1 379.464 3.226 20 0 GGADMN C[C@H]1CCN(C(=O)c2cc(-c3ccncc3)on2)CCN1Cc1ccccc1 ZINC000173531878 1426706189 /nfs/dbraw/zinc/70/61/89/1426706189.db2.gz UJZUHXCEWVCCAR-KRWDZBQOSA-N 0 1 376.460 3.473 20 0 GGADMN CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000173531913 1426706561 /nfs/dbraw/zinc/70/65/61/1426706561.db2.gz DYGPMSUBHKODSI-SFHVURJKSA-N 0 1 393.940 3.161 20 0 GGADMN C[C@H]1CCN(Cc2c([O-])nnn2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000173532916 1426707833 /nfs/dbraw/zinc/70/78/33/1426707833.db2.gz STTSJROPYIXVSJ-SFHVURJKSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@H]1CC[N@H+](Cc2c([O-])nnn2-c2ccccc2)CCN1Cc1ccccc1 ZINC000173532916 1426707841 /nfs/dbraw/zinc/70/78/41/1426707841.db2.gz STTSJROPYIXVSJ-SFHVURJKSA-N 0 1 377.492 3.069 20 0 GGADMN C[C@H]1CC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)CCN1Cc1ccccc1 ZINC000173532916 1426707858 /nfs/dbraw/zinc/70/78/58/1426707858.db2.gz STTSJROPYIXVSJ-SFHVURJKSA-N 0 1 377.492 3.069 20 0 GGADMN Cc1ccc(N2CCC[C@H](N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)C2=O)cc1 ZINC000173537194 1426713058 /nfs/dbraw/zinc/71/30/58/1426713058.db2.gz LURNXRZWRGOONO-KNQAVFIVSA-N 0 1 397.563 3.461 20 0 GGADMN CCCCN(C)C(=O)C1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000173548953 1426722322 /nfs/dbraw/zinc/72/23/22/1426722322.db2.gz OBMOJAFGSRLUKG-OAQYLSRUSA-N 0 1 385.552 3.461 20 0 GGADMN O=C(CN1CCC[C@H]2CCC[C@@H]21)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000173558818 1426729375 /nfs/dbraw/zinc/72/93/75/1426729375.db2.gz 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COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000821872459 1426736841 /nfs/dbraw/zinc/73/68/41/1426736841.db2.gz NGMBPZWIYOJYND-HOTGVXAUSA-N 0 1 378.480 3.052 20 0 GGADMN C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736302238 1426740484 /nfs/dbraw/zinc/74/04/84/1426740484.db2.gz FUJAXBMMYSOXCC-ZDUSSCGKSA-N 0 1 396.882 3.468 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC000821598339 1426740802 /nfs/dbraw/zinc/74/08/02/1426740802.db2.gz ZDGWJMBJDATMPO-IBGZPJMESA-N 0 1 376.464 3.205 20 0 GGADMN C[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000821598339 1426740805 /nfs/dbraw/zinc/74/08/05/1426740805.db2.gz ZDGWJMBJDATMPO-IBGZPJMESA-N 0 1 376.464 3.205 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000821598339 1426740809 /nfs/dbraw/zinc/74/08/09/1426740809.db2.gz ZDGWJMBJDATMPO-IBGZPJMESA-N 0 1 376.464 3.205 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000173574301 1426742111 /nfs/dbraw/zinc/74/21/11/1426742111.db2.gz DBQGTNFROBUSBE-UHFFFAOYSA-N 0 1 390.443 3.460 20 0 GGADMN CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC1CCN(c2ccccn2)CC1 ZINC000821222106 1426747445 /nfs/dbraw/zinc/74/74/45/1426747445.db2.gz OUELJGYRZPOENL-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN CC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC1CCN(c2ccccn2)CC1 ZINC000821222106 1426747451 /nfs/dbraw/zinc/74/74/51/1426747451.db2.gz OUELJGYRZPOENL-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN CC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC1CCN(c2ccccn2)CC1 ZINC000821222106 1426747458 /nfs/dbraw/zinc/74/74/58/1426747458.db2.gz OUELJGYRZPOENL-UHFFFAOYSA-N 0 1 377.496 3.000 20 0 GGADMN Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737662750 1426748098 /nfs/dbraw/zinc/74/80/98/1426748098.db2.gz ZIUXSYQVNLWDQF-GFCCVEGCSA-N 0 1 388.397 3.361 20 0 GGADMN Fc1cccc(F)c1C[N@H+]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737662750 1426748101 /nfs/dbraw/zinc/74/81/01/1426748101.db2.gz ZIUXSYQVNLWDQF-GFCCVEGCSA-N 0 1 388.397 3.361 20 0 GGADMN CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736401230 1426751550 /nfs/dbraw/zinc/75/15/50/1426751550.db2.gz HAQDELVMHGWSFH-ZDUSSCGKSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736401230 1426751553 /nfs/dbraw/zinc/75/15/53/1426751553.db2.gz HAQDELVMHGWSFH-ZDUSSCGKSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736401230 1426751562 /nfs/dbraw/zinc/75/15/62/1426751562.db2.gz HAQDELVMHGWSFH-ZDUSSCGKSA-N 0 1 388.541 3.400 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000173589191 1426753063 /nfs/dbraw/zinc/75/30/63/1426753063.db2.gz UYOFRFHCKPVFLH-OTWHNJEPSA-N 0 1 396.362 3.335 20 0 GGADMN Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000737660151 1426761503 /nfs/dbraw/zinc/76/15/03/1426761503.db2.gz NWDFLCDZFXRNOK-UHFFFAOYSA-N 0 1 398.833 3.315 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000826168006 1426774910 /nfs/dbraw/zinc/77/49/10/1426774910.db2.gz YZGFJWDXSJMVEV-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000826168006 1426774918 /nfs/dbraw/zinc/77/49/18/1426774918.db2.gz YZGFJWDXSJMVEV-UHFFFAOYSA-N 0 1 393.369 3.406 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820705937 1426776752 /nfs/dbraw/zinc/77/67/52/1426776752.db2.gz WZIYJZGAUPRHFK-RTBURBONSA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820705937 1426776755 /nfs/dbraw/zinc/77/67/55/1426776755.db2.gz WZIYJZGAUPRHFK-RTBURBONSA-N 0 1 398.555 3.222 20 0 GGADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820705937 1426776760 /nfs/dbraw/zinc/77/67/60/1426776760.db2.gz WZIYJZGAUPRHFK-RTBURBONSA-N 0 1 398.555 3.222 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3cccc(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000826297755 1426782257 /nfs/dbraw/zinc/78/22/57/1426782257.db2.gz QUEFAEMYIKOGAZ-PBHICJAKSA-N 0 1 394.479 3.201 20 0 GGADMN C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824540227 1426798799 /nfs/dbraw/zinc/79/87/99/1426798799.db2.gz UHEQNEKQWGLTEH-MPGHIAIKSA-N 0 1 380.471 3.319 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN(C)C1CCC1 ZINC000173618005 1426799807 /nfs/dbraw/zinc/79/98/07/1426799807.db2.gz TVRLVTRMXBPIEC-UHFFFAOYSA-N 0 1 390.553 3.215 20 0 GGADMN Cc1cc(C(=O)NC2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)c(C)o1 ZINC000173632994 1426803822 /nfs/dbraw/zinc/80/38/22/1426803822.db2.gz WYNBRBBFAKVAIT-LJQANCHMSA-N 0 1 376.884 3.478 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1 ZINC000173633678 1426804009 /nfs/dbraw/zinc/80/40/09/1426804009.db2.gz FBEJOIATDMHQFM-IBGZPJMESA-N 0 1 396.470 3.084 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1ccc(CC(F)(F)F)cc1)N1CCN(C)CC1 ZINC000173637059 1426805535 /nfs/dbraw/zinc/80/55/35/1426805535.db2.gz KWRWAWNOYKZHPN-QGZVFWFLSA-N 0 1 386.462 3.185 20 0 GGADMN COC(=O)c1cccc(-c2nc(CN3CCC[C@@H](C4OCCO4)C3)cs2)c1 ZINC000173638811 1426805878 /nfs/dbraw/zinc/80/58/78/1426805878.db2.gz SOLPEYQKRNVMMP-MRXNPFEDSA-N 0 1 388.489 3.182 20 0 GGADMN CCOc1cccc(CNC(=O)CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000173652507 1426810719 /nfs/dbraw/zinc/81/07/19/1426810719.db2.gz MXGKHAIOUMWYMP-NRFANRHFSA-N 0 1 382.504 3.240 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN2CC[C@H](COCc3ccccc3)C2)c(C)c1 ZINC000173653695 1426811258 /nfs/dbraw/zinc/81/12/58/1426811258.db2.gz WRCLYFGAKMLCDO-FQEVSTJZSA-N 0 1 395.503 3.490 20 0 GGADMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000173658818 1426812706 /nfs/dbraw/zinc/81/27/06/1426812706.db2.gz ZXQHJLRLPPMXGZ-MRXNPFEDSA-N 0 1 395.532 3.404 20 0 GGADMN CC[NH+](CC)[C@@H](C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825407080 1426814770 /nfs/dbraw/zinc/81/47/70/1426814770.db2.gz YDFJPSOOXBLELH-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000824761958 1426815556 /nfs/dbraw/zinc/81/55/56/1426815556.db2.gz DJRIHSVQKFLBJI-VBKZILBWSA-N 0 1 383.883 3.261 20 0 GGADMN O=C(c1cccs1)N1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000173669996 1426815848 /nfs/dbraw/zinc/81/58/48/1426815848.db2.gz NDJARXLGNUMWKK-LJQANCHMSA-N 0 1 397.544 3.087 20 0 GGADMN O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000173670009 1426815879 /nfs/dbraw/zinc/81/58/79/1426815879.db2.gz NDJARXLGNUMWKK-IBGZPJMESA-N 0 1 397.544 3.087 20 0 GGADMN Cc1cccc(Oc2ccc(NC(=O)N3CCN(CC(C)(C)O)CC3)cn2)c1C ZINC000173675928 1426817736 /nfs/dbraw/zinc/81/77/36/1426817736.db2.gz SUZIUVLNFRMTMG-UHFFFAOYSA-N 0 1 398.507 3.411 20 0 GGADMN CC(C)[C@H](CNC(=O)Nc1ccc(OC(C)(C)C)cc1)N1CCN(C)CC1 ZINC000173677422 1426818454 /nfs/dbraw/zinc/81/84/54/1426818454.db2.gz ZKSGBMVJSBBKRB-IBGZPJMESA-N 0 1 376.545 3.257 20 0 GGADMN CN1CCN(c2cc(CNC(=O)Nc3ccc(OC(C)(C)C)cc3)ccn2)CC1 ZINC000173683518 1426820588 /nfs/dbraw/zinc/82/05/88/1426820588.db2.gz IDXNLFOHJJKGKZ-UHFFFAOYSA-N 0 1 397.523 3.332 20 0 GGADMN CC(C)[C@H](CNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)N1CCN(C)CC1 ZINC000173683394 1426820608 /nfs/dbraw/zinc/82/06/08/1426820608.db2.gz BEMOVWLEDFKFDD-BVSLBCMMSA-N 0 1 386.584 3.094 20 0 GGADMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824698164 1426825322 /nfs/dbraw/zinc/82/53/22/1426825322.db2.gz JDMIEMCFDKOJEM-APWZRJJASA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824698164 1426825328 /nfs/dbraw/zinc/82/53/28/1426825328.db2.gz JDMIEMCFDKOJEM-APWZRJJASA-N 0 1 393.491 3.181 20 0 GGADMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824698164 1426825332 /nfs/dbraw/zinc/82/53/32/1426825332.db2.gz JDMIEMCFDKOJEM-APWZRJJASA-N 0 1 393.491 3.181 20 0 GGADMN CN(C(=O)c1csc(-c2cnccn2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173713119 1426829088 /nfs/dbraw/zinc/82/90/88/1426829088.db2.gz LUIWYPARAWBITJ-QGZVFWFLSA-N 0 1 393.516 3.337 20 0 GGADMN CN(C(=O)c1cc(-c2ccncc2)on1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173715328 1426829911 /nfs/dbraw/zinc/82/99/11/1426829911.db2.gz AFUVIPABALGPDO-LJQANCHMSA-N 0 1 376.460 3.473 20 0 GGADMN Cc1cc(NC(=O)NCc2cccnc2N2CCN(C)CC2)ccc1OC(C)C ZINC000173719894 1426830860 /nfs/dbraw/zinc/83/08/60/1426830860.db2.gz TZBXUCFWQRJHBC-UHFFFAOYSA-N 0 1 397.523 3.251 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000173725014 1426832152 /nfs/dbraw/zinc/83/21/52/1426832152.db2.gz UXUOHPLBSKMDIJ-HXUWFJFHSA-N 0 1 382.504 3.201 20 0 GGADMN COCCOC[C@@H]1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000173726195 1426832542 /nfs/dbraw/zinc/83/25/42/1426832542.db2.gz RLSFEYMQIBFCNY-GOSISDBHSA-N 0 1 384.476 3.402 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)OC)cc3)n2)C1 ZINC000173732258 1426833714 /nfs/dbraw/zinc/83/37/14/1426833714.db2.gz WFPAEFUTIXJVST-OAHLLOKOSA-N 0 1 390.505 3.082 20 0 GGADMN COCCOC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000173732115 1426833868 /nfs/dbraw/zinc/83/38/68/1426833868.db2.gz HWQKGVPQFNWNIW-CVDCTZTESA-N 0 1 388.552 3.409 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)NC(=O)CC3)N2CCCC2)o1 ZINC000173747061 1426838412 /nfs/dbraw/zinc/83/84/12/1426838412.db2.gz BZTBKZWUBLOARF-GOSISDBHSA-N 0 1 382.464 3.431 20 0 GGADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[C@H](CSc2ccccc2)C1 ZINC000173749500 1426839266 /nfs/dbraw/zinc/83/92/66/1426839266.db2.gz OUQWNOXMIGERRJ-SJORKVTESA-N 0 1 395.528 3.474 20 0 GGADMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)n1 ZINC000173750341 1426839385 /nfs/dbraw/zinc/83/93/85/1426839385.db2.gz XYGSOVZAYPGEJL-UHFFFAOYSA-N 0 1 391.431 3.010 20 0 GGADMN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000173750858 1426839666 /nfs/dbraw/zinc/83/96/66/1426839666.db2.gz DOUWXOMZTWZYSY-CABCVRRESA-N 0 1 396.516 3.297 20 0 GGADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)CCS1 ZINC000173752770 1426840473 /nfs/dbraw/zinc/84/04/73/1426840473.db2.gz XUDMEJMHGBMCKT-DOTOQJQBSA-N 0 1 389.565 3.339 20 0 GGADMN O=C(CC1(O)CCCC1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000173755175 1426840855 /nfs/dbraw/zinc/84/08/55/1426840855.db2.gz FYHVZVXPNCSQTP-UHFFFAOYSA-N 0 1 384.442 3.435 20 0 GGADMN CCOc1cccc2cc([C@H](C)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)oc21 ZINC000173765128 1426844064 /nfs/dbraw/zinc/84/40/64/1426844064.db2.gz BJDICRPYWYHGPG-GOEBONIOSA-N 0 1 382.464 3.330 20 0 GGADMN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCCN(c4cnn(C)c4)C3=O)oc21 ZINC000173764995 1426844151 /nfs/dbraw/zinc/84/41/51/1426844151.db2.gz NNXKLZFZWYTPCT-RHSMWYFYSA-N 0 1 382.464 3.411 20 0 GGADMN CCOc1cccc2cc([C@H](C)N[C@H]3CCCN(c4ccn(C)n4)C3=O)oc21 ZINC000173764978 1426844197 /nfs/dbraw/zinc/84/41/97/1426844197.db2.gz OPVVHJAWDPKATI-HOCLYGCPSA-N 0 1 382.464 3.411 20 0 GGADMN COC(=O)c1cc2cc(C[N@@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000736951966 1426850488 /nfs/dbraw/zinc/85/04/88/1426850488.db2.gz WXPAADCHPIMHKU-UHFFFAOYSA-N 0 1 377.404 3.032 20 0 GGADMN C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529480 1426855002 /nfs/dbraw/zinc/85/50/02/1426855002.db2.gz GMSZHSWAZJLGRE-YWZLYKJASA-N 0 1 380.471 3.494 20 0 GGADMN C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529480 1426855018 /nfs/dbraw/zinc/85/50/18/1426855018.db2.gz GMSZHSWAZJLGRE-YWZLYKJASA-N 0 1 380.471 3.494 20 0 GGADMN Cc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c2cccnc12 ZINC000173802299 1426855437 /nfs/dbraw/zinc/85/54/37/1426855437.db2.gz JQTBNSMGIJVXCD-UHFFFAOYSA-N 0 1 375.476 3.089 20 0 GGADMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1OCC ZINC000173802277 1426855447 /nfs/dbraw/zinc/85/54/47/1426855447.db2.gz WKGZWXUXGNWQSK-CRAIPNDOSA-N 0 1 386.496 3.064 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@@H]3SCCc4sccc43)c2)CC1 ZINC000173805394 1426855834 /nfs/dbraw/zinc/85/58/34/1426855834.db2.gz JKBADTWVMIGDJF-LJQANCHMSA-N 0 1 387.574 3.465 20 0 GGADMN CCN(C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)[C@@H](C)c1cccc(OC)c1 ZINC000173807029 1426856621 /nfs/dbraw/zinc/85/66/21/1426856621.db2.gz YHZZNOQMBRFAEH-LBPRGKRZSA-N 0 1 383.473 3.444 20 0 GGADMN CN(C(=O)CN1CCC[C@H]2CCC[C@@H]21)c1ccccc1C(=O)NCc1ccco1 ZINC000173814769 1426858632 /nfs/dbraw/zinc/85/86/32/1426858632.db2.gz BICDZLNVSPENGS-XLIONFOSSA-N 0 1 395.503 3.437 20 0 GGADMN COc1ccc(NC(=O)C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C)c1 ZINC000173815921 1426859061 /nfs/dbraw/zinc/85/90/61/1426859061.db2.gz RJUQUWUXJCYZIF-SFHVURJKSA-N 0 1 395.503 3.065 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CCN1Cc1ccccc1 ZINC000173816748 1426859127 /nfs/dbraw/zinc/85/91/27/1426859127.db2.gz HHLDNKYMEDJDNL-QGZVFWFLSA-N 0 1 390.487 3.229 20 0 GGADMN C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC000173816866 1426859136 /nfs/dbraw/zinc/85/91/36/1426859136.db2.gz UYAKYNYTLDRYPW-OAHLLOKOSA-N 0 1 387.430 3.026 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC2(CCCC2)C1 ZINC000173820236 1426860010 /nfs/dbraw/zinc/86/00/10/1426860010.db2.gz VOXJIFUELGTCCH-UHFFFAOYSA-N 0 1 390.553 3.073 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000173833229 1426864241 /nfs/dbraw/zinc/86/42/41/1426864241.db2.gz HVRLOTHUAUJPTG-UHFFFAOYSA-N 0 1 379.504 3.372 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000173858338 1426872909 /nfs/dbraw/zinc/87/29/09/1426872909.db2.gz LBLFAURRBXUXEB-UHFFFAOYSA-N 0 1 392.547 3.424 20 0 GGADMN Cc1c(NC(=O)[C@@H](C)N2CCC(C(C)C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000173862901 1426874527 /nfs/dbraw/zinc/87/45/27/1426874527.db2.gz JOZNFZHOMQKIGO-QGZVFWFLSA-N 0 1 384.524 3.179 20 0 GGADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000173866145 1426875416 /nfs/dbraw/zinc/87/54/16/1426875416.db2.gz XNRIFGAGNUSSNP-OLZOCXBDSA-N 0 1 395.594 3.270 20 0 GGADMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000173866048 1426875424 /nfs/dbraw/zinc/87/54/24/1426875424.db2.gz XNRIFGAGNUSSNP-QWHCGFSZSA-N 0 1 395.594 3.270 20 0 GGADMN CCOc1ccccc1[C@H](CC(C)C)NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000173871538 1426877557 /nfs/dbraw/zinc/87/75/57/1426877557.db2.gz UKSQLVSPASEHHG-INIZCTEOSA-N 0 1 396.495 3.091 20 0 GGADMN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000173871518 1426877653 /nfs/dbraw/zinc/87/76/53/1426877653.db2.gz UKSQLVSPASEHHG-MRXNPFEDSA-N 0 1 396.495 3.091 20 0 GGADMN C[C@H](c1ccccc1Cl)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173874536 1426878005 /nfs/dbraw/zinc/87/80/05/1426878005.db2.gz UIDVMERRLGBSJS-QGZVFWFLSA-N 0 1 386.927 3.467 20 0 GGADMN Cc1c(CSC(C)C)cccc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000173877307 1426878970 /nfs/dbraw/zinc/87/89/70/1426878970.db2.gz DSAGCTZHBNLASB-MRXNPFEDSA-N 0 1 378.586 3.394 20 0 GGADMN CC(=O)N1CCC(CCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)CC1 ZINC000173883056 1426880709 /nfs/dbraw/zinc/88/07/09/1426880709.db2.gz UAXWWWMLSOTAGR-IBGZPJMESA-N 0 1 384.480 3.392 20 0 GGADMN O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000173888632 1426882169 /nfs/dbraw/zinc/88/21/69/1426882169.db2.gz ULTJHBDDRKPISD-NRFANRHFSA-N 0 1 375.476 3.320 20 0 GGADMN O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000173888617 1426882304 /nfs/dbraw/zinc/88/23/04/1426882304.db2.gz ULTJHBDDRKPISD-OAQYLSRUSA-N 0 1 375.476 3.320 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)c2)CC1 ZINC000173895266 1426883702 /nfs/dbraw/zinc/88/37/02/1426883702.db2.gz QVABETQLZPMLTB-UHFFFAOYSA-N 0 1 375.476 3.076 20 0 GGADMN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000173898137 1426884711 /nfs/dbraw/zinc/88/47/11/1426884711.db2.gz IWEYZTJCANDRFO-SWLSCSKDSA-N 0 1 382.386 3.165 20 0 GGADMN CN(C)c1cccc([C@H]2CCCN2Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000173900123 1426884946 /nfs/dbraw/zinc/88/49/46/1426884946.db2.gz LBQFDAOXOCZASP-OAQYLSRUSA-N 0 1 387.549 3.340 20 0 GGADMN CN(C)c1cccc([C@H]2CCCN2CCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000173899726 1426885019 /nfs/dbraw/zinc/88/50/19/1426885019.db2.gz WGCBETUMNRLBIB-OAQYLSRUSA-N 0 1 388.533 3.372 20 0 GGADMN CN(C)C(=O)Nc1cccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000173906610 1426887161 /nfs/dbraw/zinc/88/71/61/1426887161.db2.gz GJFBHUBNWXOYNJ-GOSISDBHSA-N 0 1 399.495 3.009 20 0 GGADMN CN(C)C(=O)Nc1cccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000173906596 1426887267 /nfs/dbraw/zinc/88/72/67/1426887267.db2.gz GJFBHUBNWXOYNJ-SFHVURJKSA-N 0 1 399.495 3.009 20 0 GGADMN COc1cc([C@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000173921705 1426892490 /nfs/dbraw/zinc/89/24/90/1426892490.db2.gz DXMWKTMDCAKTEZ-YJBOKZPZSA-N 0 1 384.476 3.477 20 0 GGADMN C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000173920683 1426892783 /nfs/dbraw/zinc/89/27/83/1426892783.db2.gz PHWCXIJYIALZSJ-LSDHHAIUSA-N 0 1 396.557 3.002 20 0 GGADMN CCN(CC1CCN(CC(=O)NCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000173927170 1426895583 /nfs/dbraw/zinc/89/55/83/1426895583.db2.gz OZYOYUZHONCSDU-UHFFFAOYSA-N 0 1 389.540 3.272 20 0 GGADMN CC[C@](C)(NC[C@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000173938119 1426899379 /nfs/dbraw/zinc/89/93/79/1426899379.db2.gz LKOREWDKAHHILK-JXFKEZNVSA-N 0 1 392.521 3.317 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173936449 1426899399 /nfs/dbraw/zinc/89/93/99/1426899399.db2.gz GQMNMBZJESYWSI-IRXDYDNUSA-N 0 1 393.532 3.033 20 0 GGADMN CC[C@@](C)(NC[C@H](O)COc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000173938130 1426899415 /nfs/dbraw/zinc/89/94/15/1426899415.db2.gz LKOREWDKAHHILK-OXJNMPFZSA-N 0 1 392.521 3.317 20 0 GGADMN C[C@@H]1C[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736236915 1426907200 /nfs/dbraw/zinc/90/72/00/1426907200.db2.gz UCCWZKTXXSWXBB-NVXWUHKLSA-N 0 1 380.471 3.495 20 0 GGADMN C[C@@H]1C[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736236915 1426907205 /nfs/dbraw/zinc/90/72/05/1426907205.db2.gz UCCWZKTXXSWXBB-NVXWUHKLSA-N 0 1 380.471 3.495 20 0 GGADMN C[C@@H]1C[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000736236915 1426907208 /nfs/dbraw/zinc/90/72/08/1426907208.db2.gz UCCWZKTXXSWXBB-NVXWUHKLSA-N 0 1 380.471 3.495 20 0 GGADMN COc1cccc(O[C@@H](C)CNC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000173958865 1426910331 /nfs/dbraw/zinc/91/03/31/1426910331.db2.gz MJOFMPCSYUBXPA-QFBILLFUSA-N 0 1 387.480 3.192 20 0 GGADMN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCN(CCOC(C)C)CC1 ZINC000173961201 1426911311 /nfs/dbraw/zinc/91/13/11/1426911311.db2.gz QNRAESMDUZBJLV-NRFANRHFSA-N 0 1 392.584 3.075 20 0 GGADMN CC(C)OCCN1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000173961390 1426911819 /nfs/dbraw/zinc/91/18/19/1426911819.db2.gz NXXFQTGVIXAMDB-QHCPKHFHSA-N 0 1 398.547 3.136 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736481576 1426919954 /nfs/dbraw/zinc/91/99/54/1426919954.db2.gz WOLVJCJEDSJKMR-KFKAGJAMSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736481576 1426919961 /nfs/dbraw/zinc/91/99/61/1426919961.db2.gz WOLVJCJEDSJKMR-KFKAGJAMSA-N 0 1 380.496 3.145 20 0 GGADMN CCC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000736481576 1426919969 /nfs/dbraw/zinc/91/99/69/1426919969.db2.gz WOLVJCJEDSJKMR-KFKAGJAMSA-N 0 1 380.496 3.145 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000736195990 1426920771 /nfs/dbraw/zinc/92/07/71/1426920771.db2.gz ILSPSPYOJWYYPV-MAUKXSAKSA-N 0 1 392.511 3.125 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000736195990 1426920773 /nfs/dbraw/zinc/92/07/73/1426920773.db2.gz ILSPSPYOJWYYPV-MAUKXSAKSA-N 0 1 392.511 3.125 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000736195990 1426920777 /nfs/dbraw/zinc/92/07/77/1426920777.db2.gz ILSPSPYOJWYYPV-MAUKXSAKSA-N 0 1 392.511 3.125 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2nc3ccccn3c2-c2nnn[n-]2)[C@@H]1c1cccs1 ZINC000826029035 1426921784 /nfs/dbraw/zinc/92/17/84/1426921784.db2.gz MXAGDASLKDSOBT-XJKSGUPXSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@@H+]1CCC[C@@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000826029035 1426921788 /nfs/dbraw/zinc/92/17/88/1426921788.db2.gz MXAGDASLKDSOBT-XJKSGUPXSA-N 0 1 394.508 3.071 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2nc3ccccn3c2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000826029035 1426921791 /nfs/dbraw/zinc/92/17/91/1426921791.db2.gz MXAGDASLKDSOBT-XJKSGUPXSA-N 0 1 394.508 3.071 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173980604 1426923573 /nfs/dbraw/zinc/92/35/73/1426923573.db2.gz BALSLFUIUYVJEC-IAGOWNOFSA-N 0 1 387.480 3.192 20 0 GGADMN COc1ccccc1O[C@H](C)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000173980944 1426924554 /nfs/dbraw/zinc/92/45/54/1426924554.db2.gz RYEVUMYDMNSOLM-HUUCEWRRSA-N 0 1 377.510 3.126 20 0 GGADMN CC(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824348048 1426926055 /nfs/dbraw/zinc/92/60/55/1426926055.db2.gz XWNCJPVDEHHSFQ-HNNXBMFYSA-N 0 1 399.520 3.115 20 0 GGADMN O=C(CC1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1)N1CCCC1 ZINC000173984760 1426926946 /nfs/dbraw/zinc/92/69/46/1426926946.db2.gz GEFGAQSETAQORX-JOCHJYFZSA-N 0 1 397.563 3.292 20 0 GGADMN CC(C)(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000735651703 1426929362 /nfs/dbraw/zinc/92/93/62/1426929362.db2.gz WLSXYHOSHVGOHB-UHFFFAOYSA-N 0 1 391.523 3.318 20 0 GGADMN COC(=O)CCN(Cc1csc(-c2ccccc2OC)n1)C1CCOCC1 ZINC000173999293 1426934806 /nfs/dbraw/zinc/93/48/06/1426934806.db2.gz CPQQVEICSMPYQQ-UHFFFAOYSA-N 0 1 390.505 3.363 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Oc3ccc(NC(=O)C4CC4)cc3)c2)CC1 ZINC000174009184 1426940478 /nfs/dbraw/zinc/94/04/78/1426940478.db2.gz OOMLINZWNDODDP-UHFFFAOYSA-N 0 1 393.487 3.002 20 0 GGADMN C[NH+](C)CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCCCCC1 ZINC000821586129 1426942630 /nfs/dbraw/zinc/94/26/30/1426942630.db2.gz KZFGZWXEPQWWOA-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000736056286 1426943241 /nfs/dbraw/zinc/94/32/41/1426943241.db2.gz NCYJGAQIHZUKEE-NSHDSACASA-N 0 1 390.260 3.489 20 0 GGADMN C[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)c2ccc(F)cc2O1 ZINC000174014869 1426944107 /nfs/dbraw/zinc/94/41/07/1426944107.db2.gz TZGQRPPFFMYKAD-LBPRGKRZSA-N 0 1 399.447 3.029 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)cc1 ZINC000174018539 1426946804 /nfs/dbraw/zinc/94/68/04/1426946804.db2.gz SCTCSBZDVHFABK-XMSQKQJNSA-N 0 1 389.540 3.243 20 0 GGADMN O=C(NCc1cccc(N2CC=CC2)c1)NC[C@H](c1ccco1)N1CCCC1 ZINC000174019754 1426947807 /nfs/dbraw/zinc/94/78/07/1426947807.db2.gz RFJUDKRTQGZXDL-HXUWFJFHSA-N 0 1 380.492 3.292 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824406869 1426949205 /nfs/dbraw/zinc/94/92/05/1426949205.db2.gz SABXACXYNNDQCS-QWHCGFSZSA-N 0 1 383.427 3.406 20 0 GGADMN COc1ccccc1C[C@@H](C)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000174034949 1426957998 /nfs/dbraw/zinc/95/79/98/1426957998.db2.gz BZGNLUVQAIHYPH-MRXNPFEDSA-N 0 1 392.521 3.136 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000174035640 1426958821 /nfs/dbraw/zinc/95/88/21/1426958821.db2.gz PTVZACKLRMCXMS-KRWDZBQOSA-N 0 1 395.503 3.324 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1 ZINC000174038218 1426961243 /nfs/dbraw/zinc/96/12/43/1426961243.db2.gz PKMAVZOEYIDNOI-UHFFFAOYSA-N 0 1 378.476 3.046 20 0 GGADMN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174039228 1426961973 /nfs/dbraw/zinc/96/19/73/1426961973.db2.gz XDLSPBQGONFMIT-SFHVURJKSA-N 0 1 399.510 3.269 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C(F)(F)c3ccccc3)cc2)CC1 ZINC000174038429 1426962106 /nfs/dbraw/zinc/96/21/06/1426962106.db2.gz AVQRUCNTSYDVBN-UHFFFAOYSA-N 0 1 389.446 3.043 20 0 GGADMN Cc1cccc(N2CCN(CCC(=O)Nc3ccc4nccnc4c3)CC2)c1 ZINC000174039917 1426962816 /nfs/dbraw/zinc/96/28/16/1426962816.db2.gz XZLHULOOPDQFDC-UHFFFAOYSA-N 0 1 375.476 3.089 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3cccc4c3CCC4)cc2)CC1 ZINC000174040301 1426962962 /nfs/dbraw/zinc/96/29/62/1426962962.db2.gz QTUWZJWCJVMCST-UHFFFAOYSA-N 0 1 379.504 3.054 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000174039760 1426963568 /nfs/dbraw/zinc/96/35/68/1426963568.db2.gz CSHPQNBWZCNZDL-LJQANCHMSA-N 0 1 381.520 3.445 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)CCCc3cccs3)cc2)CC1 ZINC000174041116 1426964790 /nfs/dbraw/zinc/96/47/90/1426964790.db2.gz VGIRJTFDXWAQLH-UHFFFAOYSA-N 0 1 387.549 3.336 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)c3coc4ccccc34)cc2)CC1 ZINC000174042129 1426965357 /nfs/dbraw/zinc/96/53/57/1426965357.db2.gz DCRHADQAOASWTQ-UHFFFAOYSA-N 0 1 379.460 3.311 20 0 GGADMN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736224555 1426965393 /nfs/dbraw/zinc/96/53/93/1426965393.db2.gz NFDIEHALCILRCU-IJLUTSLNSA-N 0 1 383.422 3.059 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000174043598 1426966179 /nfs/dbraw/zinc/96/61/79/1426966179.db2.gz BUMQMUBHYPSZAV-UHFFFAOYSA-N 0 1 397.494 3.122 20 0 GGADMN CCc1ccc(CC(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1 ZINC000174043644 1426966327 /nfs/dbraw/zinc/96/63/27/1426966327.db2.gz VPXGZKFSFCVGQN-UHFFFAOYSA-N 0 1 381.520 3.056 20 0 GGADMN CC[C@@H](C)c1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)on1 ZINC000174043615 1426966357 /nfs/dbraw/zinc/96/63/57/1426966357.db2.gz KYEJEUYOZHWBJP-MRXNPFEDSA-N 0 1 386.496 3.067 20 0 GGADMN CC(C)c1nc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cs1 ZINC000174043385 1426966539 /nfs/dbraw/zinc/96/65/39/1426966539.db2.gz YDLCUZAMSSKWFN-UHFFFAOYSA-N 0 1 388.537 3.145 20 0 GGADMN CCc1nsc(N2CCC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000174044852 1426967953 /nfs/dbraw/zinc/96/79/53/1426967953.db2.gz CJAWNFOYOOQNCB-UHFFFAOYSA-N 0 1 393.944 3.295 20 0 GGADMN C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)N(C)C1CC1 ZINC000736025547 1426967855 /nfs/dbraw/zinc/96/78/55/1426967855.db2.gz LQYAYVGDSUFRPR-MRXNPFEDSA-N 0 1 392.507 3.018 20 0 GGADMN C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174045833 1426969142 /nfs/dbraw/zinc/96/91/42/1426969142.db2.gz MCFPWSQVMNNAHY-GOSISDBHSA-N 0 1 399.510 3.269 20 0 GGADMN CCCOc1cccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 ZINC000174047009 1426969863 /nfs/dbraw/zinc/96/98/63/1426969863.db2.gz OYQCFEJKMRLUHG-UHFFFAOYSA-N 0 1 397.519 3.354 20 0 GGADMN CCS[C@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)C(C)C ZINC000174047279 1426970091 /nfs/dbraw/zinc/97/00/91/1426970091.db2.gz NYFMFZZKGYCQHO-IBGZPJMESA-N 0 1 379.570 3.029 20 0 GGADMN C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000736254150 1426971610 /nfs/dbraw/zinc/97/16/10/1426971610.db2.gz XYJQAKBNHQUZJF-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1CCC[C@H](C)[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000736254150 1426971612 /nfs/dbraw/zinc/97/16/12/1426971612.db2.gz XYJQAKBNHQUZJF-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000736254150 1426971614 /nfs/dbraw/zinc/97/16/14/1426971614.db2.gz XYJQAKBNHQUZJF-STQMWFEESA-N 0 1 388.541 3.256 20 0 GGADMN COc1cc(OC)c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000174050911 1426973532 /nfs/dbraw/zinc/97/35/32/1426973532.db2.gz CYVFTISJZZUQRO-GOSISDBHSA-N 0 1 398.503 3.449 20 0 GGADMN CN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174051276 1426973634 /nfs/dbraw/zinc/97/36/34/1426973634.db2.gz VOAVEHPQGHGAHM-NRFANRHFSA-N 0 1 393.531 3.260 20 0 GGADMN Fc1cccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)C2)c1 ZINC000822786790 1426980368 /nfs/dbraw/zinc/98/03/68/1426980368.db2.gz PPZSFVXZWRZOLB-INIZCTEOSA-N 0 1 391.410 3.045 20 0 GGADMN Cc1ccc(OC[C@H](O)CN2CCc3c(cccc3N3CCOC3=O)C2)c(C)c1 ZINC000174060913 1426981163 /nfs/dbraw/zinc/98/11/63/1426981163.db2.gz HNEUDEATNFMXHA-LJQANCHMSA-N 0 1 396.487 3.058 20 0 GGADMN Cc1ccc(OC[C@@H](O)CN2CCc3c(cccc3N3CCOC3=O)C2)c(C)c1 ZINC000174060926 1426981191 /nfs/dbraw/zinc/98/11/91/1426981191.db2.gz HNEUDEATNFMXHA-IBGZPJMESA-N 0 1 396.487 3.058 20 0 GGADMN C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598534 1426989834 /nfs/dbraw/zinc/98/98/34/1426989834.db2.gz FOWKLAUCRHKGMQ-NSHDSACASA-N 0 1 378.358 3.010 20 0 GGADMN CC(C)c1cc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)nn1C ZINC000174083296 1426993165 /nfs/dbraw/zinc/99/31/65/1426993165.db2.gz ROTSXCQYKCZMKE-CALCHBBNSA-N 0 1 384.524 3.083 20 0 GGADMN COCCOc1cc(C)ccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000174086729 1426994724 /nfs/dbraw/zinc/99/47/24/1426994724.db2.gz VBCFFGSNHWBOJT-UHFFFAOYSA-N 0 1 397.519 3.171 20 0 GGADMN Cc1ccc2nc(CNC(=O)CCNC(=O)c3ccc4ccccc4c3)[nH]c2c1 ZINC000174098945 1427001429 /nfs/dbraw/zinc/00/14/29/1427001429.db2.gz INBJDMXCGVYBDT-UHFFFAOYSA-N 0 1 386.455 3.461 20 0 GGADMN CN(C(=O)c1cnc2ccccc2c1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174099907 1427002032 /nfs/dbraw/zinc/00/20/32/1427002032.db2.gz DHBMCPIFULWVIV-SFHVURJKSA-N 0 1 375.472 3.265 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000825254858 1427002336 /nfs/dbraw/zinc/00/23/36/1427002336.db2.gz VLHNYWKRUUTRLE-QGZVFWFLSA-N 0 1 396.520 3.055 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000825254858 1427002343 /nfs/dbraw/zinc/00/23/43/1427002343.db2.gz VLHNYWKRUUTRLE-QGZVFWFLSA-N 0 1 396.520 3.055 20 0 GGADMN Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c(OC[C@@H]2CCOC2)c1 ZINC000822238397 1427002677 /nfs/dbraw/zinc/00/26/77/1427002677.db2.gz GIRKIBTVJUXCHZ-OAHLLOKOSA-N 0 1 397.454 3.019 20 0 GGADMN COCCOC[C@@H]1CCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000174104967 1427004033 /nfs/dbraw/zinc/00/40/33/1427004033.db2.gz UVYFLEQSSDHTAP-OAHLLOKOSA-N 0 1 392.521 3.312 20 0 GGADMN Cc1nc2ccc(NC3CC[NH+](Cc4ccc(-c5nn[n-]n5)cc4)CC3)cc2o1 ZINC000826329256 1427007661 /nfs/dbraw/zinc/00/76/61/1427007661.db2.gz WFVUCRBTKWICLH-UHFFFAOYSA-N 0 1 389.463 3.393 20 0 GGADMN CCCn1cc(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000174117437 1427009106 /nfs/dbraw/zinc/00/91/06/1427009106.db2.gz LSJRTXKCYKEKIM-IRXDYDNUSA-N 0 1 385.512 3.224 20 0 GGADMN CCOC(=O)[C@]1(CCSc2nc(-c3ccccc3F)n[nH]2)CCCC1=O ZINC000174135284 1427017087 /nfs/dbraw/zinc/01/70/87/1427017087.db2.gz SIUYPYROLWOWHB-SFHVURJKSA-N 0 1 377.441 3.396 20 0 GGADMN Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000737470356 1427018022 /nfs/dbraw/zinc/01/80/22/1427018022.db2.gz HXQGDVOGUQOHOK-SNVBAGLBSA-N 0 1 391.526 3.023 20 0 GGADMN CCCn1cc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cn1 ZINC000174146594 1427020547 /nfs/dbraw/zinc/02/05/47/1427020547.db2.gz GPSQRFZTQNRYGD-OAHLLOKOSA-N 0 1 388.491 3.067 20 0 GGADMN CN(C[C@@H]1CCCOC1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000174145615 1427020698 /nfs/dbraw/zinc/02/06/98/1427020698.db2.gz CREKGMRFHPFPPK-AVRDEDQJSA-N 0 1 396.487 3.131 20 0 GGADMN O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000823697810 1427021447 /nfs/dbraw/zinc/02/14/47/1427021447.db2.gz MUEKIIDUWBCMEL-SFHVURJKSA-N 0 1 389.381 3.033 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(C(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)C1 ZINC000174151429 1427022632 /nfs/dbraw/zinc/02/26/32/1427022632.db2.gz NIWUBTZCMDRRSN-KRWDZBQOSA-N 0 1 387.553 3.249 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccccc1OC ZINC000174157320 1427024747 /nfs/dbraw/zinc/02/47/47/1427024747.db2.gz GGYKGVHWGGGJSX-UHFFFAOYSA-N 0 1 384.480 3.490 20 0 GGADMN Cc1ccnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1-c1nn[n-]n1 ZINC000826310189 1427025077 /nfs/dbraw/zinc/02/50/77/1427025077.db2.gz OBIZRQHAHCPNDG-UHFFFAOYSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1-c1nnn[n-]1 ZINC000826310189 1427025081 /nfs/dbraw/zinc/02/50/81/1427025081.db2.gz OBIZRQHAHCPNDG-UHFFFAOYSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1-c1nnn[n-]1 ZINC000826310189 1427025089 /nfs/dbraw/zinc/02/50/89/1427025089.db2.gz OBIZRQHAHCPNDG-UHFFFAOYSA-N 0 1 389.507 3.063 20 0 GGADMN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCCN1CCc2ccccc2C1 ZINC000174157757 1427025163 /nfs/dbraw/zinc/02/51/63/1427025163.db2.gz FNVDATGOGFOQTL-UHFFFAOYSA-N 0 1 398.454 3.362 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000174159645 1427026270 /nfs/dbraw/zinc/02/62/70/1427026270.db2.gz OXZIJVPKULMATM-UHFFFAOYSA-N 0 1 391.262 3.058 20 0 GGADMN CC(C)c1nc(C(=O)N(C)Cc2nnc[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000174159403 1427026295 /nfs/dbraw/zinc/02/62/95/1427026295.db2.gz VYHLUZAAOQLHSB-UHFFFAOYSA-N 0 1 394.266 3.088 20 0 GGADMN Cc1nsc(N2CCCN(CCOc3ccccc3C(F)(F)F)CC2)n1 ZINC000174161913 1427027352 /nfs/dbraw/zinc/02/73/52/1427027352.db2.gz KOGMHMLLXKMDJZ-UHFFFAOYSA-N 0 1 386.443 3.456 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)nc2)N2CCCC2)o1 ZINC000174163339 1427027927 /nfs/dbraw/zinc/02/79/27/1427027927.db2.gz HWTLTMZAHFUMQS-CQSZACIVSA-N 0 1 378.270 3.312 20 0 GGADMN O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174168776 1427030484 /nfs/dbraw/zinc/03/04/84/1427030484.db2.gz KIBYFBPFMAKJFP-FQEVSTJZSA-N 0 1 378.516 3.389 20 0 GGADMN C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)N1CCc2ccccc2C1 ZINC000174174292 1427032628 /nfs/dbraw/zinc/03/26/28/1427032628.db2.gz CFCYNTJTAKWVFK-QMMLZNLJSA-N 0 1 381.524 3.113 20 0 GGADMN CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000174183502 1427036684 /nfs/dbraw/zinc/03/66/84/1427036684.db2.gz BXNOXFRFEGZVMU-IBGZPJMESA-N 0 1 388.552 3.180 20 0 GGADMN CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174184587 1427037188 /nfs/dbraw/zinc/03/71/88/1427037188.db2.gz DXZLRSVTANLMEL-VQTJNVASSA-N 0 1 376.566 3.125 20 0 GGADMN CCC(CC)(CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000174193565 1427043278 /nfs/dbraw/zinc/04/32/78/1427043278.db2.gz KRYCLMVOPJNWJU-FQEVSTJZSA-N 0 1 387.568 3.498 20 0 GGADMN CC(C)C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000174193614 1427043571 /nfs/dbraw/zinc/04/35/71/1427043571.db2.gz RAYLNDVBUYRAKE-QGZVFWFLSA-N 0 1 389.565 3.182 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824573699 1427043926 /nfs/dbraw/zinc/04/39/26/1427043926.db2.gz ZTXAHJSMVNXMSZ-BDJLRTHQSA-N 0 1 377.370 3.270 20 0 GGADMN CCN(CC)C(=O)[C@H](NCCCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000174198688 1427046299 /nfs/dbraw/zinc/04/62/99/1427046299.db2.gz YLMKCJDEHGGHOP-JOCHJYFZSA-N 0 1 395.503 3.001 20 0 GGADMN O=C(COc1ccc(Oc2ccccc2)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174200735 1427046926 /nfs/dbraw/zinc/04/69/26/1427046926.db2.gz AQBZWLKPDYYKGZ-LJQANCHMSA-N 0 1 396.487 3.038 20 0 GGADMN Fc1cc(Br)ccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822748064 1427049088 /nfs/dbraw/zinc/04/90/88/1427049088.db2.gz FWCGWUSTNQHOGM-UHFFFAOYSA-N 0 1 394.223 3.240 20 0 GGADMN Cc1ccc(CCN(C[C@H]2CCCO2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000174205949 1427049813 /nfs/dbraw/zinc/04/98/13/1427049813.db2.gz ASEBPEHNBCAMBI-QZTJIDSGSA-N 0 1 384.442 3.182 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174206728 1427050564 /nfs/dbraw/zinc/05/05/64/1427050564.db2.gz HUKQAYGGFXNMBE-NVXWUHKLSA-N 0 1 384.442 3.065 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000174206700 1427050648 /nfs/dbraw/zinc/05/06/48/1427050648.db2.gz BHZQTUTVEBUXMH-WBVHZDCISA-N 0 1 384.442 3.065 20 0 GGADMN COCCCOc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000174219512 1427056760 /nfs/dbraw/zinc/05/67/60/1427056760.db2.gz SMLKJHOLFDRTKK-UHFFFAOYSA-N 0 1 397.519 3.253 20 0 GGADMN CN(C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)c1cccnc1 ZINC000174225814 1427058661 /nfs/dbraw/zinc/05/86/61/1427058661.db2.gz XQKYMQWLAJXSPT-UHFFFAOYSA-N 0 1 382.489 3.304 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C=Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342175 1427063784 /nfs/dbraw/zinc/06/37/84/1427063784.db2.gz ZXJHKBGWZASIPT-MQNTZWLQSA-N 0 1 392.463 3.193 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C=Cc2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826342175 1427063789 /nfs/dbraw/zinc/06/37/89/1427063789.db2.gz ZXJHKBGWZASIPT-MQNTZWLQSA-N 0 1 392.463 3.193 20 0 GGADMN Cc1nnc(SCCC(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)[nH]1 ZINC000174243158 1427066303 /nfs/dbraw/zinc/06/63/03/1427066303.db2.gz ONFDYKGIEDNFHE-JTQLQIEISA-N 0 1 388.415 3.198 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000174244116 1427067119 /nfs/dbraw/zinc/06/71/19/1427067119.db2.gz UZRXUKCGCGATHR-SFHVURJKSA-N 0 1 382.508 3.410 20 0 GGADMN CCCN1CCN(c2ccc(NC(=O)C3(C(=O)OCC)CC3)cc2Cl)CC1 ZINC000174246106 1427067421 /nfs/dbraw/zinc/06/74/21/1427067421.db2.gz AAFKYUMRJQLOTR-UHFFFAOYSA-N 0 1 393.915 3.154 20 0 GGADMN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000174246669 1427068206 /nfs/dbraw/zinc/06/82/06/1427068206.db2.gz ILZAXNGRCQPIFF-UYAOXDASSA-N 0 1 390.572 3.108 20 0 GGADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(Cl)cc(C)c3O)cc2C[C@@H]1C ZINC000174251506 1427070314 /nfs/dbraw/zinc/07/03/14/1427070314.db2.gz GXLCGSRUFSBZIP-NSHDSACASA-N 0 1 394.880 3.452 20 0 GGADMN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 ZINC000174255080 1427071487 /nfs/dbraw/zinc/07/14/87/1427071487.db2.gz NQIZIDSJUIRFHZ-UHFFFAOYSA-N 0 1 379.869 3.233 20 0 GGADMN COc1cccc([C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)N(C)C)c1 ZINC000826214531 1427073634 /nfs/dbraw/zinc/07/36/34/1427073634.db2.gz OJRYYBIUJLMPED-NHCUHLMSSA-N 0 1 392.507 3.145 20 0 GGADMN C[C@H]1CN([C@@H](CNCc2ccc(CO)o2)c2c(F)cccc2Cl)CCO1 ZINC000174271735 1427078464 /nfs/dbraw/zinc/07/84/64/1427078464.db2.gz WNTRMZSKZHDMDV-UGSOOPFHSA-N 0 1 382.863 3.116 20 0 GGADMN COc1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000174276062 1427080344 /nfs/dbraw/zinc/08/03/44/1427080344.db2.gz CUBVQTACQPCJLE-UHFFFAOYSA-N 0 1 394.924 3.423 20 0 GGADMN NC(=O)c1cccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 ZINC000174292033 1427088342 /nfs/dbraw/zinc/08/83/42/1427088342.db2.gz WALZHXXAFZGTDE-UHFFFAOYSA-N 0 1 380.492 3.212 20 0 GGADMN C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736125280 1427089097 /nfs/dbraw/zinc/08/90/97/1427089097.db2.gz JFMICMKATJWRQQ-SCLBCKFNSA-N 0 1 378.480 3.041 20 0 GGADMN Cc1cccn2c(CNCc3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cnc12 ZINC000174306664 1427094252 /nfs/dbraw/zinc/09/42/52/1427094252.db2.gz UCTOAAYPAQFULX-QZTJIDSGSA-N 0 1 392.503 3.182 20 0 GGADMN Cc1cccn2c(CNCc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cnc12 ZINC000174306677 1427094325 /nfs/dbraw/zinc/09/43/25/1427094325.db2.gz UCTOAAYPAQFULX-ROUUACIJSA-N 0 1 392.503 3.182 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)C2)CC1 ZINC000174323864 1427101597 /nfs/dbraw/zinc/10/15/97/1427101597.db2.gz NYKCCKWXKYOWLF-KRWDZBQOSA-N 0 1 384.446 3.035 20 0 GGADMN CC[NH+](CC)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000174325338 1427102539 /nfs/dbraw/zinc/10/25/39/1427102539.db2.gz VGKWYXYOCAUPEQ-UHFFFAOYSA-N 0 1 390.505 3.411 20 0 GGADMN Cc1nnc(-c2cccc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)c2)o1 ZINC000174327816 1427103354 /nfs/dbraw/zinc/10/33/54/1427103354.db2.gz FXFPPDUCRDXBOU-UHFFFAOYSA-N 0 1 391.475 3.045 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCS[C@@H](C(C)C)C2)c1 ZINC000174329318 1427104848 /nfs/dbraw/zinc/10/48/48/1427104848.db2.gz XBSFBIIXQIJTMQ-UYAOXDASSA-N 0 1 392.565 3.441 20 0 GGADMN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCN1Cc1ccccc1 ZINC000174337474 1427108778 /nfs/dbraw/zinc/10/87/78/1427108778.db2.gz RZPFZJAEMFGZEC-QFIPXVFZSA-N 0 1 392.478 3.335 20 0 GGADMN CC(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 ZINC000174337980 1427109104 /nfs/dbraw/zinc/10/91/04/1427109104.db2.gz CVGKOLHTYWZISK-MRXNPFEDSA-N 0 1 394.537 3.075 20 0 GGADMN Cc1c(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1-c1nn[n-]n1 ZINC000822088868 1427113758 /nfs/dbraw/zinc/11/37/58/1427113758.db2.gz APKFDGOVUZPAGF-DOTOQJQBSA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822088868 1427113761 /nfs/dbraw/zinc/11/37/61/1427113761.db2.gz APKFDGOVUZPAGF-DOTOQJQBSA-N 0 1 391.479 3.132 20 0 GGADMN Cc1c(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1-c1nnn[n-]1 ZINC000822088868 1427113763 /nfs/dbraw/zinc/11/37/63/1427113763.db2.gz APKFDGOVUZPAGF-DOTOQJQBSA-N 0 1 391.479 3.132 20 0 GGADMN COc1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1Cl ZINC000174348713 1427114021 /nfs/dbraw/zinc/11/40/21/1427114021.db2.gz KIAHFQSJWWAXAM-UHFFFAOYSA-N 0 1 396.940 3.466 20 0 GGADMN CCS[C@H]1CC[C@H](N(C)CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000174350106 1427115398 /nfs/dbraw/zinc/11/53/98/1427115398.db2.gz ZJVGMWBNMUXKAI-GJZGRUSLSA-N 0 1 397.972 3.343 20 0 GGADMN CN(c1ccccc1)C1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821619463 1427117753 /nfs/dbraw/zinc/11/77/53/1427117753.db2.gz YKLSWDGNBIPKHP-UHFFFAOYSA-N 0 1 392.507 3.236 20 0 GGADMN CCOc1ccccc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825653428 1427126828 /nfs/dbraw/zinc/12/68/28/1427126828.db2.gz CJYCTXKJYRKVOJ-UHFFFAOYSA-N 0 1 378.480 3.342 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000174381313 1427129672 /nfs/dbraw/zinc/12/96/72/1427129672.db2.gz BDIBKSQFEVOALQ-HOCLYGCPSA-N 0 1 386.496 3.305 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000174381347 1427129719 /nfs/dbraw/zinc/12/97/19/1427129719.db2.gz BDIBKSQFEVOALQ-GDBMZVCRSA-N 0 1 386.496 3.305 20 0 GGADMN CCNC(=O)N1CCc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc21 ZINC000174388400 1427132899 /nfs/dbraw/zinc/13/28/99/1427132899.db2.gz YHNLOOVOGVJJLL-UHFFFAOYSA-N 0 1 375.432 3.421 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(OC(F)F)cc3)c2)CC1 ZINC000174395169 1427136990 /nfs/dbraw/zinc/13/69/90/1427136990.db2.gz CQBDKKAKCKAQKV-UHFFFAOYSA-N 0 1 375.419 3.288 20 0 GGADMN CN(Cc1ccccc1Br)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821614903 1427141380 /nfs/dbraw/zinc/14/13/80/1427141380.db2.gz ZDXRNVWLHMENLO-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@H+](Cc1ccccc1Br)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821614903 1427141383 /nfs/dbraw/zinc/14/13/83/1427141383.db2.gz ZDXRNVWLHMENLO-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN C[N@@H+](Cc1ccccc1Br)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821614903 1427141390 /nfs/dbraw/zinc/14/13/90/1427141390.db2.gz ZDXRNVWLHMENLO-UHFFFAOYSA-N 0 1 376.233 3.400 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccccc1CC(F)(F)F ZINC000174405677 1427143139 /nfs/dbraw/zinc/14/31/39/1427143139.db2.gz NOGLUQIUDAMXNO-UHFFFAOYSA-N 0 1 390.365 3.426 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)cc2=O)cc1 ZINC000174412702 1427146512 /nfs/dbraw/zinc/14/65/12/1427146512.db2.gz ABECHZGDEQEGEW-SFHVURJKSA-N 0 1 392.503 3.114 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[nH]1 ZINC000174415466 1427148034 /nfs/dbraw/zinc/14/80/34/1427148034.db2.gz YMUCWUYLUNGRHV-UHFFFAOYSA-N 0 1 393.472 3.047 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)n1 ZINC000174415466 1427148036 /nfs/dbraw/zinc/14/80/36/1427148036.db2.gz YMUCWUYLUNGRHV-UHFFFAOYSA-N 0 1 393.472 3.047 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[nH]1 ZINC000174415389 1427148056 /nfs/dbraw/zinc/14/80/56/1427148056.db2.gz PCOUYMLDQJHDBR-UHFFFAOYSA-N 0 1 393.472 3.047 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)n1 ZINC000174415389 1427148061 /nfs/dbraw/zinc/14/80/61/1427148061.db2.gz PCOUYMLDQJHDBR-UHFFFAOYSA-N 0 1 393.472 3.047 20 0 GGADMN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(CN3CCSCC3)ccc2C)C1 ZINC000174430729 1427153465 /nfs/dbraw/zinc/15/34/65/1427153465.db2.gz XUEVZUHTNHTJDQ-ZWKOTPCHSA-N 0 1 390.549 3.462 20 0 GGADMN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cccc4c[nH]nc43)CC2)cs1 ZINC000174432715 1427154061 /nfs/dbraw/zinc/15/40/61/1427154061.db2.gz XRDUUXLSFABZHF-CQSZACIVSA-N 0 1 399.520 3.075 20 0 GGADMN COC(=O)CCN(Cc1csc(-c2ccc(F)cc2)n1)C1CCOCC1 ZINC000174441201 1427157691 /nfs/dbraw/zinc/15/76/91/1427157691.db2.gz JAHDNGVALHMZPF-UHFFFAOYSA-N 0 1 378.469 3.493 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)c2)CC1 ZINC000174445045 1427159713 /nfs/dbraw/zinc/15/97/13/1427159713.db2.gz BAPCCWVBJMQRDE-UHFFFAOYSA-N 0 1 381.495 3.378 20 0 GGADMN COC(=O)[C@H]1CCC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448159 1427160233 /nfs/dbraw/zinc/16/02/33/1427160233.db2.gz LBKHZTGBNPLZSS-IRXDYDNUSA-N 0 1 392.927 3.400 20 0 GGADMN CN(C)[C@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1cccc(F)c1 ZINC000174450744 1427161639 /nfs/dbraw/zinc/16/16/39/1427161639.db2.gz HGHNXDHEFWXECS-GOSISDBHSA-N 0 1 386.471 3.145 20 0 GGADMN COc1cccc([C@@H](CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)N(C)C)c1 ZINC000174451355 1427161649 /nfs/dbraw/zinc/16/16/49/1427161649.db2.gz XEYMLCBUZWKDHN-LJQANCHMSA-N 0 1 398.507 3.014 20 0 GGADMN O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1nc2ccc(F)cc2[nH]1 ZINC000174451988 1427162340 /nfs/dbraw/zinc/16/23/40/1427162340.db2.gz NEYPCKVORNDQCD-UHFFFAOYSA-N 0 1 388.830 3.182 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)nnn1-c1cccc(Cl)c1 ZINC000174454886 1427163319 /nfs/dbraw/zinc/16/33/19/1427163319.db2.gz IYOJTCWKYDHEBN-UHFFFAOYSA-N 0 1 384.802 3.175 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cnn(CC4CC4)c3)cc2)C[C@@H](C)O1 ZINC000174454645 1427163327 /nfs/dbraw/zinc/16/33/27/1427163327.db2.gz PCMQVLVUIBNAIP-IAGOWNOFSA-N 0 1 397.523 3.224 20 0 GGADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cnn(CC4CC4)c3)cc2)C[C@H](C)O1 ZINC000174454635 1427163406 /nfs/dbraw/zinc/16/34/06/1427163406.db2.gz PCMQVLVUIBNAIP-IRXDYDNUSA-N 0 1 397.523 3.224 20 0 GGADMN Cc1cccc(C(=O)N[C@@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C(C)C)c1 ZINC000174456220 1427163990 /nfs/dbraw/zinc/16/39/90/1427163990.db2.gz JAPOADHSVRDMMC-LJQANCHMSA-N 0 1 382.439 3.081 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174456537 1427164602 /nfs/dbraw/zinc/16/46/02/1427164602.db2.gz VJGVJNRWNGAZHZ-LJQANCHMSA-N 0 1 378.407 3.282 20 0 GGADMN Cc1nnc(SCCC(=O)N(CCc2ccccc2)Cc2ccncc2)[nH]1 ZINC000174456683 1427164728 /nfs/dbraw/zinc/16/47/28/1427164728.db2.gz YINWWIAOBCWGES-UHFFFAOYSA-N 0 1 381.505 3.262 20 0 GGADMN COc1ccc(C)cc1-n1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)n1 ZINC000174461917 1427168096 /nfs/dbraw/zinc/16/80/96/1427168096.db2.gz VHUHZNBUWVUJMW-UHFFFAOYSA-N 0 1 379.395 3.135 20 0 GGADMN O=C(NC1CCC(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC1)C1CCCC1 ZINC000174463639 1427168856 /nfs/dbraw/zinc/16/88/56/1427168856.db2.gz JKKVZVKSEZTRJR-UHFFFAOYSA-N 0 1 386.471 3.183 20 0 GGADMN COc1ccc([C@H]2CCCN2C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000174468971 1427170378 /nfs/dbraw/zinc/17/03/78/1427170378.db2.gz ZPIYBEXDBUNURG-HSZRJFAPSA-N 0 1 393.531 3.420 20 0 GGADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000174470411 1427170949 /nfs/dbraw/zinc/17/09/49/1427170949.db2.gz POIXFYIGSYPKJK-IBGZPJMESA-N 0 1 385.418 3.145 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCc3cc(-c4ccccc4)on3)c2)CC1 ZINC000174482292 1427176517 /nfs/dbraw/zinc/17/65/17/1427176517.db2.gz JCSKAJFFLGGDFG-UHFFFAOYSA-N 0 1 390.487 3.019 20 0 GGADMN c1cnn(-c2cccc(C[NH2+]CCSCc3ccccc3-c3nn[n-]n3)c2)c1 ZINC000823751420 1427178918 /nfs/dbraw/zinc/17/89/18/1427178918.db2.gz JJEQEYLVPDJTTE-UHFFFAOYSA-N 0 1 391.504 3.075 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)c2)CC1 ZINC000174494554 1427180788 /nfs/dbraw/zinc/18/07/88/1427180788.db2.gz JNKZCKHSBDESQA-GOTSBHOMSA-N 0 1 393.531 3.084 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)c2)CC1 ZINC000174494576 1427180940 /nfs/dbraw/zinc/18/09/40/1427180940.db2.gz JNKZCKHSBDESQA-PKTZIBPZSA-N 0 1 393.531 3.084 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cccc(Oc3ccccn3)c2)C[C@@H](C)O1 ZINC000174498703 1427184699 /nfs/dbraw/zinc/18/46/99/1427184699.db2.gz ATCCQKHNVDFTLW-IAGOWNOFSA-N 0 1 384.480 3.495 20 0 GGADMN C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824545289 1427188128 /nfs/dbraw/zinc/18/81/28/1427188128.db2.gz BVYQLBICBPVXRL-HNNXBMFYSA-N 0 1 380.471 3.321 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCC[C@H]3Cc3ccccc3)c2)CC1 ZINC000174503785 1427188791 /nfs/dbraw/zinc/18/87/91/1427188791.db2.gz SPVMLSFYDWRTST-QHCPKHFHSA-N 0 1 377.532 3.281 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000174506324 1427190424 /nfs/dbraw/zinc/19/04/24/1427190424.db2.gz BDZLLCIHWPCQBJ-KRWDZBQOSA-N 0 1 383.423 3.232 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)nnn1-c1cccc(Cl)c1 ZINC000174508098 1427191063 /nfs/dbraw/zinc/19/10/63/1427191063.db2.gz FKTRXKDRZIMUAP-UHFFFAOYSA-N 0 1 398.829 3.217 20 0 GGADMN CC(C)NC(=O)Nc1ccccc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174507573 1427191158 /nfs/dbraw/zinc/19/11/58/1427191158.db2.gz PHPYYEJIJIXJBE-UHFFFAOYSA-N 0 1 383.427 3.204 20 0 GGADMN O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[C@H](N2CC=CC2)C1 ZINC000174508160 1427191292 /nfs/dbraw/zinc/19/12/92/1427191292.db2.gz VDJRKONTVSQZIB-HNNXBMFYSA-N 0 1 387.534 3.308 20 0 GGADMN CC(C)(C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000174508912 1427191637 /nfs/dbraw/zinc/19/16/37/1427191637.db2.gz MILYETUXYHLKKB-UHFFFAOYSA-N 0 1 383.423 3.110 20 0 GGADMN Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)nnn1-c1ccccc1Cl ZINC000174509020 1427191920 /nfs/dbraw/zinc/19/19/20/1427191920.db2.gz DVUYJPRHPILXOW-UHFFFAOYSA-N 0 1 398.829 3.217 20 0 GGADMN CC1(C)Cc2cccc(OCC(=O)NCCc3nc4ccc(F)cc4[nH]3)c2O1 ZINC000174510801 1427192831 /nfs/dbraw/zinc/19/28/31/1427192831.db2.gz LXJVGYFSTOOXSG-UHFFFAOYSA-N 0 1 383.423 3.153 20 0 GGADMN O=C(CCCc1nc(-c2cccs2)no1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174513129 1427194889 /nfs/dbraw/zinc/19/48/89/1427194889.db2.gz DCERIPNUWXAZQU-UHFFFAOYSA-N 0 1 399.451 3.495 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H](c1ccccc1)N1CCSCC1 ZINC000174514723 1427195742 /nfs/dbraw/zinc/19/57/42/1427195742.db2.gz IOFYJMNOMWVVQW-FQEVSTJZSA-N 0 1 398.507 3.151 20 0 GGADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(OCC(F)(F)F)nc1 ZINC000174515549 1427196507 /nfs/dbraw/zinc/19/65/07/1427196507.db2.gz NLFDZZAPKHJJMO-UHFFFAOYSA-N 0 1 382.317 3.011 20 0 GGADMN C[C@H]1C[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000824882384 1427198419 /nfs/dbraw/zinc/19/84/19/1427198419.db2.gz AXKVMOGDQYYNKZ-RDJZCZTQSA-N 0 1 382.537 3.413 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3nc(-c4ccc[nH]4)cs3)c2)CC1 ZINC000174529533 1427205635 /nfs/dbraw/zinc/20/56/35/1427205635.db2.gz MTKHEFLDXXLCGH-UHFFFAOYSA-N 0 1 381.505 3.138 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820111585 1427208681 /nfs/dbraw/zinc/20/86/81/1427208681.db2.gz ASEVEWJSDFPDIC-UHFFFAOYSA-N 0 1 396.520 3.088 20 0 GGADMN CC(C)[N@H+](C)CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820111585 1427208687 /nfs/dbraw/zinc/20/86/87/1427208687.db2.gz ASEVEWJSDFPDIC-UHFFFAOYSA-N 0 1 396.520 3.088 20 0 GGADMN CC(C)[N@@H+](C)CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820111585 1427208695 /nfs/dbraw/zinc/20/86/95/1427208695.db2.gz ASEVEWJSDFPDIC-UHFFFAOYSA-N 0 1 396.520 3.088 20 0 GGADMN C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1nnc[nH]1 ZINC000174534056 1427209197 /nfs/dbraw/zinc/20/91/97/1427209197.db2.gz ZGFQSSQNPVTWMS-NSHDSACASA-N 0 1 380.433 3.124 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccccn1 ZINC000174539652 1427210719 /nfs/dbraw/zinc/21/07/19/1427210719.db2.gz QZOJWTSDAQZHDW-INIZCTEOSA-N 0 1 383.496 3.115 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccccn1 ZINC000174539665 1427210938 /nfs/dbraw/zinc/21/09/38/1427210938.db2.gz QZOJWTSDAQZHDW-MRXNPFEDSA-N 0 1 383.496 3.115 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1cccnc1 ZINC000174538406 1427211127 /nfs/dbraw/zinc/21/11/27/1427211127.db2.gz QTMLNOVUXFQEES-INIZCTEOSA-N 0 1 383.496 3.115 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1cccnc1 ZINC000174538415 1427211171 /nfs/dbraw/zinc/21/11/71/1427211171.db2.gz QTMLNOVUXFQEES-MRXNPFEDSA-N 0 1 383.496 3.115 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(C)cc1 ZINC000174543172 1427213747 /nfs/dbraw/zinc/21/37/47/1427213747.db2.gz KNVLBPFRMJHDRJ-UHFFFAOYSA-N 0 1 382.508 3.467 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1Cc2ccccc2C1 ZINC000174542169 1427213944 /nfs/dbraw/zinc/21/39/44/1427213944.db2.gz AZLPEZUZLOOECG-UHFFFAOYSA-N 0 1 380.492 3.385 20 0 GGADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCCN(Cc2cscn2)CC1 ZINC000174544271 1427214749 /nfs/dbraw/zinc/21/47/49/1427214749.db2.gz WRJKCIBKESJNNI-OAQYLSRUSA-N 0 1 398.576 3.232 20 0 GGADMN CCCC[C@H](COC)NC(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000174543479 1427214810 /nfs/dbraw/zinc/21/48/10/1427214810.db2.gz AXIAGSMFOCPKNT-QGZVFWFLSA-N 0 1 392.544 3.164 20 0 GGADMN CCC[N@H+]1Cc2cccc(NC(=O)c3cc(=O)n(-c4ccc(C)cc4)[n-]3)c2C1 ZINC000174546956 1427216591 /nfs/dbraw/zinc/21/65/91/1427216591.db2.gz AJUGLAHKNQDLNA-UHFFFAOYSA-N 0 1 376.460 3.452 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412828 1427219446 /nfs/dbraw/zinc/21/94/46/1427219446.db2.gz MQZJMGNHBBVFFH-CABCVRRESA-N 0 1 376.464 3.405 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)N[C@H](C)c1nnc[nH]1 ZINC000174555306 1427221661 /nfs/dbraw/zinc/22/16/61/1427221661.db2.gz HBJJZPDMFVGAOO-MMQHEFTJSA-N 0 1 384.871 3.210 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174555295 1427221820 /nfs/dbraw/zinc/22/18/20/1427221820.db2.gz HBJJZPDMFVGAOO-XEHSLEBBSA-N 0 1 384.871 3.210 20 0 GGADMN Cc1c(NC(=O)NC[C@@H](c2cccs2)N(C)C)cccc1N1CCOC1=O ZINC000174554987 1427222177 /nfs/dbraw/zinc/22/21/77/1427222177.db2.gz VDJGFWOPPBCHHV-INIZCTEOSA-N 0 1 388.493 3.438 20 0 GGADMN CSCCc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000174555217 1427222390 /nfs/dbraw/zinc/22/23/90/1427222390.db2.gz JSKRZSZCKRQRBK-UHFFFAOYSA-N 0 1 384.549 3.138 20 0 GGADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174555727 1427222458 /nfs/dbraw/zinc/22/24/58/1427222458.db2.gz SKBHYKIUVISFPB-QUCCMNQESA-N 0 1 383.540 3.394 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)c2cccnc2c1C ZINC000174562242 1427225246 /nfs/dbraw/zinc/22/52/46/1427225246.db2.gz MHZXIKKRNXBEAP-HXUWFJFHSA-N 0 1 390.487 3.209 20 0 GGADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1)c1ccccc1 ZINC000174562659 1427225924 /nfs/dbraw/zinc/22/59/24/1427225924.db2.gz HQLNZPFBBFVECA-KRWDZBQOSA-N 0 1 393.409 3.149 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N(Cc3ccco3)Cc3ccco3)c2)CC1 ZINC000174567963 1427228771 /nfs/dbraw/zinc/22/87/71/1427228771.db2.gz MQRZLDQPSDSTMV-UHFFFAOYSA-N 0 1 393.487 3.463 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)N2CCCC2)o1 ZINC000174568841 1427229193 /nfs/dbraw/zinc/22/91/93/1427229193.db2.gz ZFVYSYUGQNUTOO-GJZGRUSLSA-N 0 1 389.500 3.466 20 0 GGADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1)c1cccs1 ZINC000174568675 1427229584 /nfs/dbraw/zinc/22/95/84/1427229584.db2.gz PDDCLFJVQATAIW-MRXNPFEDSA-N 0 1 389.521 3.283 20 0 GGADMN O=C1[C@H](NCc2cnc3ccccn23)CCCN1c1ccc(OC(F)F)cc1 ZINC000174568773 1427229855 /nfs/dbraw/zinc/22/98/55/1427229855.db2.gz GMXIBEANIHHYRK-QGZVFWFLSA-N 0 1 386.402 3.221 20 0 GGADMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1OC(C)C ZINC000174568631 1427229897 /nfs/dbraw/zinc/22/98/97/1427229897.db2.gz PWLZDKFMEDXTBV-INIZCTEOSA-N 0 1 389.521 3.201 20 0 GGADMN CC[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccncc1 ZINC000174569639 1427230192 /nfs/dbraw/zinc/23/01/92/1427230192.db2.gz OJBCITAAPWFSFE-JXFKEZNVSA-N 0 1 399.514 3.484 20 0 GGADMN CC[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccncc1 ZINC000174569649 1427230217 /nfs/dbraw/zinc/23/02/17/1427230217.db2.gz OJBCITAAPWFSFE-OXJNMPFZSA-N 0 1 399.514 3.484 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](C)[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569518 1427230309 /nfs/dbraw/zinc/23/03/09/1427230309.db2.gz QEQIXMIEVWBAPI-YESZJQIVSA-N 0 1 376.520 3.469 20 0 GGADMN C[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000174569542 1427230835 /nfs/dbraw/zinc/23/08/35/1427230835.db2.gz QEQIXMIEVWBAPI-ULQDDVLXSA-N 0 1 376.520 3.469 20 0 GGADMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(C)CC12CCCCC2 ZINC000174570594 1427231221 /nfs/dbraw/zinc/23/12/21/1427231221.db2.gz PXFIDNUTPVIKBL-OAQYLSRUSA-N 0 1 381.520 3.428 20 0 GGADMN CC(C)Cn1nc(C(=O)N2CCN(C)CC23CCCCC3)c2ccccc2c1=O ZINC000174572874 1427233096 /nfs/dbraw/zinc/23/30/96/1427233096.db2.gz BLTFCHZPEVAMSX-UHFFFAOYSA-N 0 1 396.535 3.143 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736453997 1427240573 /nfs/dbraw/zinc/24/05/73/1427240573.db2.gz WBSRYDAEQFMHBE-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCCC[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736453997 1427240582 /nfs/dbraw/zinc/24/05/82/1427240582.db2.gz WBSRYDAEQFMHBE-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCCC[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736453997 1427240588 /nfs/dbraw/zinc/24/05/88/1427240588.db2.gz WBSRYDAEQFMHBE-UHFFFAOYSA-N 0 1 394.479 3.121 20 0 GGADMN CCC[C@H](CCO)CNC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000174586920 1427242479 /nfs/dbraw/zinc/24/24/79/1427242479.db2.gz XOVAVRHBBLICRO-MRXNPFEDSA-N 0 1 396.963 3.402 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCC(C)(C)CCO)CC1 ZINC000174586948 1427242883 /nfs/dbraw/zinc/24/28/83/1427242883.db2.gz YGDUKQBBZUEBCA-UHFFFAOYSA-N 0 1 382.936 3.012 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCCC(C)(C)CO)CC1 ZINC000174586785 1427242908 /nfs/dbraw/zinc/24/29/08/1427242908.db2.gz RPSRRUZWEUQLPG-UHFFFAOYSA-N 0 1 396.963 3.402 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C12CCC2 ZINC000174598237 1427249103 /nfs/dbraw/zinc/24/91/03/1427249103.db2.gz WVGUZFHBUOEIFK-WOJBJXKFSA-N 0 1 386.540 3.216 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)C(=O)N3CCc4ccccc43)C2)nc1 ZINC000174604018 1427254382 /nfs/dbraw/zinc/25/43/82/1427254382.db2.gz QAOOGADSNCRBHV-PKOBYXMFSA-N 0 1 392.503 3.018 20 0 GGADMN Cc1nnc(-c2cccc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c2)o1 ZINC000174607190 1427258224 /nfs/dbraw/zinc/25/82/24/1427258224.db2.gz KYDGPPPMVQZTHT-FQEVSTJZSA-N 0 1 376.460 3.439 20 0 GGADMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1Cl ZINC000174613538 1427262901 /nfs/dbraw/zinc/26/29/01/1427262901.db2.gz AEPXBYLQOBPAPV-NSHDSACASA-N 0 1 375.675 3.068 20 0 GGADMN COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1Cl ZINC000174613551 1427263020 /nfs/dbraw/zinc/26/30/20/1427263020.db2.gz AEPXBYLQOBPAPV-LLVKDONJSA-N 0 1 375.675 3.068 20 0 GGADMN COc1ccc([C@H](C)N(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000174620578 1427268567 /nfs/dbraw/zinc/26/85/67/1427268567.db2.gz CSPQWULSMSXPHO-SFHVURJKSA-N 0 1 381.520 3.276 20 0 GGADMN COc1ccc([C@@H](C)N(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000174620591 1427268586 /nfs/dbraw/zinc/26/85/86/1427268586.db2.gz CSPQWULSMSXPHO-GOSISDBHSA-N 0 1 381.520 3.276 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)CC(F)F)cc2[nH]c1=S ZINC000174622399 1427269133 /nfs/dbraw/zinc/26/91/33/1427269133.db2.gz SYFPMHXBOXUTLH-UHFFFAOYSA-N 0 1 389.427 3.130 20 0 GGADMN C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000174633641 1427277417 /nfs/dbraw/zinc/27/74/17/1427277417.db2.gz KSMIXVBUJZSHLH-OXJNMPFZSA-N 0 1 380.492 3.409 20 0 GGADMN C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000174633657 1427277589 /nfs/dbraw/zinc/27/75/89/1427277589.db2.gz KSMIXVBUJZSHLH-OXQOHEQNSA-N 0 1 380.492 3.409 20 0 GGADMN Cc1nc(SCCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n[nH]1 ZINC000174635868 1427279339 /nfs/dbraw/zinc/27/93/39/1427279339.db2.gz NMKGJFCQDSVQOE-INIZCTEOSA-N 0 1 393.944 3.202 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CCN1C[C@@H](C)O ZINC000174638568 1427280069 /nfs/dbraw/zinc/28/00/69/1427280069.db2.gz BVNKYCCBFHVRIX-BNEJOLLZSA-N 0 1 384.442 3.113 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000174638970 1427280889 /nfs/dbraw/zinc/28/08/89/1427280889.db2.gz OAHKNGGYEWSPTR-UHFFFAOYSA-N 0 1 395.550 3.011 20 0 GGADMN Cc1nnc(SCC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)[nH]1 ZINC000174644099 1427282918 /nfs/dbraw/zinc/28/29/18/1427282918.db2.gz FTGANKALHBBURD-UHFFFAOYSA-N 0 1 378.461 3.467 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)n1 ZINC000174644099 1427282923 /nfs/dbraw/zinc/28/29/23/1427282923.db2.gz FTGANKALHBBURD-UHFFFAOYSA-N 0 1 378.461 3.467 20 0 GGADMN CCC(C)(C)NC(=O)c1ccc(NC(=O)CCSc2nnc(C)[nH]2)cc1 ZINC000174650916 1427287947 /nfs/dbraw/zinc/28/79/47/1427287947.db2.gz RGEBXDLRCMPIJH-UHFFFAOYSA-N 0 1 375.498 3.152 20 0 GGADMN CCC[N@H+](CC)CCNC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000174655139 1427291506 /nfs/dbraw/zinc/29/15/06/1427291506.db2.gz KXIABTHRDJWXAH-UHFFFAOYSA-N 0 1 375.542 3.154 20 0 GGADMN CCC[N@@H+](CC)CCNC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000174655139 1427291507 /nfs/dbraw/zinc/29/15/07/1427291507.db2.gz KXIABTHRDJWXAH-UHFFFAOYSA-N 0 1 375.542 3.154 20 0 GGADMN O=C(CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Nc1ccc(Cl)cc1 ZINC000822958856 1427291649 /nfs/dbraw/zinc/29/16/49/1427291649.db2.gz KGLMWNZQQZLLMG-UHFFFAOYSA-N 0 1 376.873 3.090 20 0 GGADMN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3[nH]nc4ccccc43)n2)c1 ZINC000174656712 1427291759 /nfs/dbraw/zinc/29/17/59/1427291759.db2.gz JQKTXTAEDMUVHO-GFCCVEGCSA-N 0 1 377.404 3.041 20 0 GGADMN Cc1nnc(SCCC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)[nH]1 ZINC000174663539 1427294924 /nfs/dbraw/zinc/29/49/24/1427294924.db2.gz IOMSIPZTKTUAOW-UHFFFAOYSA-N 0 1 394.928 3.113 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NCC3(c4ccc(F)cc4)CC3)c2)CC1 ZINC000174666762 1427297333 /nfs/dbraw/zinc/29/73/33/1427297333.db2.gz SBQKISZQUDYVQO-UHFFFAOYSA-N 0 1 381.495 3.035 20 0 GGADMN Cc1ccccc1C1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000174673852 1427301918 /nfs/dbraw/zinc/30/19/18/1427301918.db2.gz NZCLKNYNFAYHSC-UHFFFAOYSA-N 0 1 392.547 3.308 20 0 GGADMN Cc1c(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241823 1427303809 /nfs/dbraw/zinc/30/38/09/1427303809.db2.gz PZPIUOHHHFSSSX-UHFFFAOYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1c(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241823 1427303813 /nfs/dbraw/zinc/30/38/13/1427303813.db2.gz PZPIUOHHHFSSSX-UHFFFAOYSA-N 0 1 393.495 3.207 20 0 GGADMN Cc1c(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241823 1427303821 /nfs/dbraw/zinc/30/38/21/1427303821.db2.gz PZPIUOHHHFSSSX-UHFFFAOYSA-N 0 1 393.495 3.207 20 0 GGADMN CN(CC(=O)N[C@H]1CCOc2ccccc21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677797 1427304352 /nfs/dbraw/zinc/30/43/52/1427304352.db2.gz SVJSWZQUGCBDFT-CTNGQTDRSA-N 0 1 379.504 3.227 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000174678411 1427305527 /nfs/dbraw/zinc/30/55/27/1427305527.db2.gz GIASIAWSYZBGIZ-OAQYLSRUSA-N 0 1 380.492 3.184 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000174680533 1427306021 /nfs/dbraw/zinc/30/60/21/1427306021.db2.gz VGMBJRFGFWJSAS-NRFANRHFSA-N 0 1 381.520 3.254 20 0 GGADMN COc1ccccc1CN(C)C(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680520 1427306073 /nfs/dbraw/zinc/30/60/73/1427306073.db2.gz VGMBJRFGFWJSAS-OAQYLSRUSA-N 0 1 381.520 3.254 20 0 GGADMN CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174684574 1427308115 /nfs/dbraw/zinc/30/81/15/1427308115.db2.gz LUNQPQBWMZHQAU-UHFFFAOYSA-N 0 1 381.520 3.105 20 0 GGADMN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCSc1nnc(C)[nH]1 ZINC000174688237 1427310125 /nfs/dbraw/zinc/31/01/25/1427310125.db2.gz RWDYITNMUVPYBM-INIZCTEOSA-N 0 1 384.509 3.329 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[NH+]1CCC(c2cnc3[nH]cccc2-3)CC1 ZINC000737647770 1427311396 /nfs/dbraw/zinc/31/13/96/1427311396.db2.gz DSRCQGOFMNMSTN-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN Cn1ccnc1-c1cccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c1 ZINC000174691913 1427312121 /nfs/dbraw/zinc/31/21/21/1427312121.db2.gz SJVGYZMEXPMLQF-UHFFFAOYSA-N 0 1 389.503 3.087 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000826181989 1427312875 /nfs/dbraw/zinc/31/28/75/1427312875.db2.gz VVMLPTXFGUYJTG-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000174692784 1427312893 /nfs/dbraw/zinc/31/28/93/1427312893.db2.gz LFNLZSUMEWXQBN-PMACEKPBSA-N 0 1 381.524 3.059 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000826181989 1427312883 /nfs/dbraw/zinc/31/28/83/1427312883.db2.gz VVMLPTXFGUYJTG-UHFFFAOYSA-N 0 1 394.298 3.331 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000174693188 1427313626 /nfs/dbraw/zinc/31/36/26/1427313626.db2.gz UBLPXQZBBUAXCK-AUUYWEPGSA-N 0 1 394.450 3.432 20 0 GGADMN CCn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000174692805 1427313853 /nfs/dbraw/zinc/31/38/53/1427313853.db2.gz LFNLZSUMEWXQBN-VQTJNVASSA-N 0 1 381.524 3.059 20 0 GGADMN Cc1ccccc1NC(=O)CCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000174698258 1427316240 /nfs/dbraw/zinc/31/62/40/1427316240.db2.gz JSQSHEDMSPAFPV-UHFFFAOYSA-N 0 1 378.476 3.304 20 0 GGADMN CNC(=O)c1cc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)ccc1Cl ZINC000174701088 1427317951 /nfs/dbraw/zinc/31/79/51/1427317951.db2.gz XOZRZQDYPLGIDG-UHFFFAOYSA-N 0 1 384.823 3.351 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 ZINC000174712513 1427324970 /nfs/dbraw/zinc/32/49/70/1427324970.db2.gz JFAQUBKBVKEMTP-FQEVSTJZSA-N 0 1 379.504 3.046 20 0 GGADMN Cc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1C ZINC000826295900 1427325152 /nfs/dbraw/zinc/32/51/52/1427325152.db2.gz CFOYPRIWEQHHHY-AWEZNQCLSA-N 0 1 375.436 3.384 20 0 GGADMN CN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174713339 1427325328 /nfs/dbraw/zinc/32/53/28/1427325328.db2.gz NRILKMALXNUTAP-LBPRGKRZSA-N 0 1 376.482 3.220 20 0 GGADMN CN(C(=O)c1cc(-c2cccs2)[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174713349 1427325375 /nfs/dbraw/zinc/32/53/75/1427325375.db2.gz NRILKMALXNUTAP-GFCCVEGCSA-N 0 1 376.482 3.220 20 0 GGADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000174715202 1427326621 /nfs/dbraw/zinc/32/66/21/1427326621.db2.gz ZTDKWCYPOOTNNX-CYBMUJFWSA-N 0 1 397.525 3.466 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)Nc3nc(-c4ccco4)cs3)c2)CC1 ZINC000174720935 1427330159 /nfs/dbraw/zinc/33/01/59/1427330159.db2.gz LNOFCLZRDFALKX-UHFFFAOYSA-N 0 1 382.489 3.403 20 0 GGADMN Cc1nnc(SCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[nH]1 ZINC000174730991 1427336187 /nfs/dbraw/zinc/33/61/87/1427336187.db2.gz JKPQNSNNXLLGTL-SANMLTNESA-N 0 1 392.550 3.425 20 0 GGADMN Cc1n[nH]c(SCC(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)n1 ZINC000174730991 1427336189 /nfs/dbraw/zinc/33/61/89/1427336189.db2.gz JKPQNSNNXLLGTL-SANMLTNESA-N 0 1 392.550 3.425 20 0 GGADMN COC(=O)C[C@@H]1CSCCN1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000174734838 1427338599 /nfs/dbraw/zinc/33/85/99/1427338599.db2.gz XROIIQDWVVPMTC-OAHLLOKOSA-N 0 1 393.484 3.097 20 0 GGADMN Cc1cccc(-c2cccc(C[NH2+][C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737378371 1427348497 /nfs/dbraw/zinc/34/84/97/1427348497.db2.gz AOOCBUFOXZBICA-NRFANRHFSA-N 0 1 398.470 3.158 20 0 GGADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(N3CCCNC3=O)c2)c1 ZINC000174754277 1427349590 /nfs/dbraw/zinc/34/95/90/1427349590.db2.gz HMUDZFRJLWDTLY-UHFFFAOYSA-N 0 1 396.472 3.264 20 0 GGADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821160817 1427357292 /nfs/dbraw/zinc/35/72/92/1427357292.db2.gz QSNFECSYHQUHKP-HOCLYGCPSA-N 0 1 396.520 3.226 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000174781603 1427363468 /nfs/dbraw/zinc/36/34/68/1427363468.db2.gz FKBSHAHFPQJPAP-KRWDZBQOSA-N 0 1 384.524 3.104 20 0 GGADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000174784993 1427366288 /nfs/dbraw/zinc/36/62/88/1427366288.db2.gz ABJAELPXYRTGRG-SFHVURJKSA-N 0 1 390.547 3.306 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000174795456 1427372834 /nfs/dbraw/zinc/37/28/34/1427372834.db2.gz YAQSDDUCZLYFDX-LPHOPBHVSA-N 0 1 378.900 3.189 20 0 GGADMN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)n1 ZINC000174794828 1427373052 /nfs/dbraw/zinc/37/30/52/1427373052.db2.gz RVEJLAKMSJZXEC-CQSZACIVSA-N 0 1 383.452 3.466 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)N(C)C)cc1 ZINC000174799006 1427375481 /nfs/dbraw/zinc/37/54/81/1427375481.db2.gz SYHCNIAGXFWFMZ-HXUWFJFHSA-N 0 1 397.519 3.448 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)N(C)C)cc1 ZINC000174799015 1427375500 /nfs/dbraw/zinc/37/55/00/1427375500.db2.gz SYHCNIAGXFWFMZ-FQEVSTJZSA-N 0 1 397.519 3.448 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820722952 1427376312 /nfs/dbraw/zinc/37/63/12/1427376312.db2.gz SCGHXMRAEABAJA-BDJLRTHQSA-N 0 1 386.456 3.089 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820722952 1427376320 /nfs/dbraw/zinc/37/63/20/1427376320.db2.gz SCGHXMRAEABAJA-BDJLRTHQSA-N 0 1 386.456 3.089 20 0 GGADMN CCN(CC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1)C(=O)OC(C)(C)C ZINC000174806029 1427379230 /nfs/dbraw/zinc/37/92/30/1427379230.db2.gz LFVDPACJVGHQPE-UHFFFAOYSA-N 0 1 387.484 3.067 20 0 GGADMN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCSc1nnc(C)[nH]1 ZINC000174810729 1427381260 /nfs/dbraw/zinc/38/12/60/1427381260.db2.gz WGOGRPAXOQWZGN-UHFFFAOYSA-N 0 1 395.916 3.126 20 0 GGADMN COC(=O)c1c(CN(C)Cc2nnc[nH]2)nc2ccccc2c1-c1ccccc1 ZINC000174813198 1427382069 /nfs/dbraw/zinc/38/20/69/1427382069.db2.gz ZQXVRZYVWGDQQE-UHFFFAOYSA-N 0 1 387.443 3.439 20 0 GGADMN c1ccc2c(c1)CC[C@@H]2C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826518047 1427382552 /nfs/dbraw/zinc/38/25/52/1427382552.db2.gz ZYXUMIKGKBPIEB-GOSISDBHSA-N 0 1 375.476 3.440 20 0 GGADMN Cc1cc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822201960 1427384648 /nfs/dbraw/zinc/38/46/48/1427384648.db2.gz DPFIPYSWCKSWPP-UHFFFAOYSA-N 0 1 398.898 3.033 20 0 GGADMN C[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)Oc1ccc(Cl)cc1 ZINC000174817831 1427384994 /nfs/dbraw/zinc/38/49/94/1427384994.db2.gz YTBFKVXRUJALLO-SNVBAGLBSA-N 0 1 389.864 3.063 20 0 GGADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nnc[nH]2)cc1Cl ZINC000174818587 1427385346 /nfs/dbraw/zinc/38/53/46/1427385346.db2.gz ZOVKEBASRFTGSZ-SFHVURJKSA-N 0 1 385.855 3.279 20 0 GGADMN C[C@H]1CCCCN1C(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000174822365 1427386744 /nfs/dbraw/zinc/38/67/44/1427386744.db2.gz BAVDTNUYLLJJHE-AWEZNQCLSA-N 0 1 393.915 3.097 20 0 GGADMN CN(CC(=O)Nc1cccnc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824387 1427387756 /nfs/dbraw/zinc/38/77/56/1427387756.db2.gz ZQMFDRPFICSAJH-UHFFFAOYSA-N 0 1 382.892 3.005 20 0 GGADMN CN(CC(=O)Nc1ccc(Cl)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825254 1427388237 /nfs/dbraw/zinc/38/82/37/1427388237.db2.gz QKFUBYBNJNQTJU-UHFFFAOYSA-N 0 1 382.892 3.005 20 0 GGADMN C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825679 1427388593 /nfs/dbraw/zinc/38/85/93/1427388593.db2.gz HRVXCTRZEUNCEC-MRXNPFEDSA-N 0 1 387.524 3.296 20 0 GGADMN C[C@H]1Cc2ccccc2N1C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825688 1427388887 /nfs/dbraw/zinc/38/88/87/1427388887.db2.gz HRVXCTRZEUNCEC-INIZCTEOSA-N 0 1 387.524 3.296 20 0 GGADMN CCN(C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000174829959 1427391571 /nfs/dbraw/zinc/39/15/71/1427391571.db2.gz BKPHSYZKTZMIFG-UHFFFAOYSA-N 0 1 375.513 3.371 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)cc1 ZINC000174841686 1427400274 /nfs/dbraw/zinc/40/02/74/1427400274.db2.gz GZFHUEPYAPPRDI-OALUTQOASA-N 0 1 386.540 3.230 20 0 GGADMN COCC(=O)Nc1ccc(OC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000174842753 1427400498 /nfs/dbraw/zinc/40/04/98/1427400498.db2.gz NARVQXAZRALNOC-UHFFFAOYSA-N 0 1 382.416 3.299 20 0 GGADMN Cc1ccccc1-n1nccc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000174850869 1427406764 /nfs/dbraw/zinc/40/67/64/1427406764.db2.gz SJYCGQBEXRGKMY-UHFFFAOYSA-N 0 1 389.503 3.180 20 0 GGADMN Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2=O)cc1 ZINC000174855665 1427409849 /nfs/dbraw/zinc/40/98/49/1427409849.db2.gz KBAOFPDIPPEBJJ-RBUKOAKNSA-N 0 1 396.535 3.201 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)CC1 ZINC000174858925 1427411827 /nfs/dbraw/zinc/41/18/27/1427411827.db2.gz ZMXCTLPAZSCBEX-UHFFFAOYSA-N 0 1 395.522 3.420 20 0 GGADMN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821777763 1427412441 /nfs/dbraw/zinc/41/24/41/1427412441.db2.gz MFVHREBQKUVHMV-STQMWFEESA-N 0 1 380.452 3.246 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)[nH]c2c1 ZINC000174863870 1427416287 /nfs/dbraw/zinc/41/62/87/1427416287.db2.gz RAOLIAZBVAHZAT-WBVHZDCISA-N 0 1 376.460 3.097 20 0 GGADMN Cc1nc(COc2ccccc2C(=O)NCc2nc3ccc(C)cc3[nH]2)no1 ZINC000174864544 1427416422 /nfs/dbraw/zinc/41/64/22/1427416422.db2.gz VVTJPVVLQPZWRX-UHFFFAOYSA-N 0 1 377.404 3.072 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H]3CCCN3c3ncnc4sccc43)[nH]c2c1 ZINC000174866235 1427417101 /nfs/dbraw/zinc/41/71/01/1427417101.db2.gz GHLGLIDNVHVIEM-INIZCTEOSA-N 0 1 392.488 3.161 20 0 GGADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)nnn1-c1cccc(Cl)c1 ZINC000174865598 1427417139 /nfs/dbraw/zinc/41/71/39/1427417139.db2.gz WFJKDQWJPIFIGL-UHFFFAOYSA-N 0 1 380.839 3.344 20 0 GGADMN CC(=O)N[C@@H](CC(=O)NCc1nc2ccc(C)cc2[nH]1)c1c(F)cccc1F ZINC000174870377 1427419816 /nfs/dbraw/zinc/41/98/16/1427419816.db2.gz VPKSXNJOQQVISX-KRWDZBQOSA-N 0 1 386.402 3.033 20 0 GGADMN Cc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1OC(F)F ZINC000174873627 1427421109 /nfs/dbraw/zinc/42/11/09/1427421109.db2.gz BSNSMOTVLRNMMN-UHFFFAOYSA-N 0 1 390.434 3.142 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)Nc1cnn(Cc2ccccn2)c1)c1ccco1 ZINC000174878408 1427423273 /nfs/dbraw/zinc/42/32/73/1427423273.db2.gz XVKDRTAYFANKLY-SFHVURJKSA-N 0 1 382.468 3.124 20 0 GGADMN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174878244 1427423529 /nfs/dbraw/zinc/42/35/29/1427423529.db2.gz OHTBPWABJHNKBN-HXUWFJFHSA-N 0 1 376.460 3.024 20 0 GGADMN Cc1ccc2nc(CNC(=O)CSCc3cn4cc(C)ccc4n3)[nH]c2c1 ZINC000174879495 1427424205 /nfs/dbraw/zinc/42/42/05/1427424205.db2.gz DGHMJQFMTANRCC-UHFFFAOYSA-N 0 1 379.489 3.377 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000174880012 1427424772 /nfs/dbraw/zinc/42/47/72/1427424772.db2.gz JYPHISBRXSFRAJ-SFHVURJKSA-N 0 1 390.487 3.348 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)[nH]c2c1 ZINC000174887888 1427428340 /nfs/dbraw/zinc/42/83/40/1427428340.db2.gz HPSOLSVMUYHLKT-OAQYLSRUSA-N 0 1 376.460 3.241 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CN(C)C(=O)C(C)C)cc3)[nH]c2c1 ZINC000174889540 1427429142 /nfs/dbraw/zinc/42/91/42/1427429142.db2.gz RHPUWVCMYHHZBV-UHFFFAOYSA-N 0 1 378.476 3.416 20 0 GGADMN CC(C)OCCN1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000174891228 1427429690 /nfs/dbraw/zinc/42/96/90/1427429690.db2.gz SXABRZQVWWLYQM-UHFFFAOYSA-N 0 1 376.419 3.007 20 0 GGADMN OCCC[N@H+](Cc1cccc(Cl)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826509656 1427430267 /nfs/dbraw/zinc/43/02/67/1427430267.db2.gz CQRZGKBKLWTHFI-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826509656 1427430269 /nfs/dbraw/zinc/43/02/69/1427430269.db2.gz CQRZGKBKLWTHFI-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CCSC[C@@H]3c3ccccc3)cc2)CC1 ZINC000174892236 1427430727 /nfs/dbraw/zinc/43/07/27/1427430727.db2.gz PLIIMRKVQASXNL-JOCHJYFZSA-N 0 1 395.572 3.364 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)N3CCSC[C@H]3c3ccccc3)cc2)CC1 ZINC000174892260 1427430794 /nfs/dbraw/zinc/43/07/94/1427430794.db2.gz PLIIMRKVQASXNL-QFIPXVFZSA-N 0 1 395.572 3.364 20 0 GGADMN CN(CCOc1ccc(Cl)cc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000174893439 1427431187 /nfs/dbraw/zinc/43/11/87/1427431187.db2.gz AYSTZQQEAPBSRD-UHFFFAOYSA-N 0 1 375.928 3.484 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)[nH]c2c1 ZINC000174893937 1427431559 /nfs/dbraw/zinc/43/15/59/1427431559.db2.gz AUARZOSZLGAKPU-IBGZPJMESA-N 0 1 389.463 3.038 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCN(c4cc(C)cc(C)c4)C3=O)[nH]c2c1 ZINC000174893896 1427431577 /nfs/dbraw/zinc/43/15/77/1427431577.db2.gz ZUISBIPBAAWXMZ-QGZVFWFLSA-N 0 1 376.460 3.157 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000174900793 1427435174 /nfs/dbraw/zinc/43/51/74/1427435174.db2.gz KPYQDJZHBRLDHV-QFIPXVFZSA-N 0 1 396.535 3.079 20 0 GGADMN COc1ccc(CCC(=O)NCc2nc3ccc(C)cc3[nH]2)c(OC)c1OC ZINC000174901063 1427435395 /nfs/dbraw/zinc/43/53/95/1427435395.db2.gz LACVGXLTRJHOBU-UHFFFAOYSA-N 0 1 383.448 3.146 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)C(=O)Nc1ccccc1 ZINC000174901537 1427436034 /nfs/dbraw/zinc/43/60/34/1427436034.db2.gz JBUNKFQOZWQJIB-KRWDZBQOSA-N 0 1 382.508 3.276 20 0 GGADMN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000174901799 1427436412 /nfs/dbraw/zinc/43/64/12/1427436412.db2.gz QRSWODYNXAOQQG-MRXNPFEDSA-N 0 1 379.460 3.477 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccccc3CSc3nc[nH]n3)[nH]c2c1 ZINC000174902715 1427437019 /nfs/dbraw/zinc/43/70/19/1427437019.db2.gz SWBFNWQBDJFOFX-UHFFFAOYSA-N 0 1 378.461 3.212 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)[nH]c2c1 ZINC000174902750 1427437025 /nfs/dbraw/zinc/43/70/25/1427437025.db2.gz OXNCPBNIRCJLRA-PBHICJAKSA-N 0 1 383.496 3.117 20 0 GGADMN COc1ccc([C@H](NCCOC(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174902155 1427437090 /nfs/dbraw/zinc/43/70/90/1427437090.db2.gz GTMGGFHFUDFEIH-FQEVSTJZSA-N 0 1 377.506 3.203 20 0 GGADMN COc1cc(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)cc(OC)c1 ZINC000174904833 1427437915 /nfs/dbraw/zinc/43/79/15/1427437915.db2.gz JNFMNOMHHFIVBE-QFIPXVFZSA-N 0 1 398.503 3.404 20 0 GGADMN Cc1ccc2nc(CNC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)[nH]c2c1 ZINC000174905532 1427438700 /nfs/dbraw/zinc/43/87/00/1427438700.db2.gz DZEURLRWMATGIG-INIZCTEOSA-N 0 1 394.450 3.179 20 0 GGADMN Cc1ccc2nc(CNC(=O)c3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)[nH]c2c1 ZINC000174906975 1427439127 /nfs/dbraw/zinc/43/91/27/1427439127.db2.gz QQGKIVXRPFQJBP-IRXDYDNUSA-N 0 1 392.503 3.411 20 0 GGADMN COc1ccccc1CCNC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000174907142 1427439620 /nfs/dbraw/zinc/43/96/20/1427439620.db2.gz QENCXPKMQGPQMM-JOCHJYFZSA-N 0 1 396.531 3.116 20 0 GGADMN COc1ccccc1CNC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000174908244 1427440427 /nfs/dbraw/zinc/44/04/27/1427440427.db2.gz LKEUPMYWGQTKTG-OAQYLSRUSA-N 0 1 382.504 3.073 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824935370 1427442703 /nfs/dbraw/zinc/44/27/03/1427442703.db2.gz AHKOQYRJOPIDMY-QINHECLXSA-N 0 1 394.523 3.039 20 0 GGADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824935370 1427442706 /nfs/dbraw/zinc/44/27/06/1427442706.db2.gz AHKOQYRJOPIDMY-QINHECLXSA-N 0 1 394.523 3.039 20 0 GGADMN Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000174922281 1427447469 /nfs/dbraw/zinc/44/74/69/1427447469.db2.gz YXLUWYCLSJQWRQ-KRWDZBQOSA-N 0 1 386.462 3.407 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cc3[nH]nc4ccccc43)ccc2NC1=O ZINC000174931249 1427451472 /nfs/dbraw/zinc/45/14/72/1427451472.db2.gz JRZRDEYQFMOGEV-SGTLLEGYSA-N 0 1 378.432 3.092 20 0 GGADMN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cc3[nH]nc4ccccc43)ccc2NC1=O ZINC000174931195 1427451585 /nfs/dbraw/zinc/45/15/85/1427451585.db2.gz JRZRDEYQFMOGEV-KZULUSFZSA-N 0 1 378.432 3.092 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)Cc2cccc(C)c2)C1 ZINC000174940398 1427456821 /nfs/dbraw/zinc/45/68/21/1427456821.db2.gz MOXVVFNUPXMRRZ-VKIDHGPPSA-N 0 1 393.597 3.148 20 0 GGADMN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCC1(CS(C)(=O)=O)CC1 ZINC000174942055 1427457740 /nfs/dbraw/zinc/45/77/40/1427457740.db2.gz HRBZQXFGVZOLDX-UHFFFAOYSA-N 0 1 395.956 3.365 20 0 GGADMN Cc1nc(C(=O)Nc2ccccc2C(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174947915 1427460988 /nfs/dbraw/zinc/46/09/88/1427460988.db2.gz JVXALYJDMGASGX-UHFFFAOYSA-N 0 1 379.346 3.088 20 0 GGADMN CCCC[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccccc1 ZINC000736452253 1427461258 /nfs/dbraw/zinc/46/12/58/1427461258.db2.gz DCUXUCLFJRARJM-UHFFFAOYSA-N 0 1 395.511 3.004 20 0 GGADMN Cc1ccc(-c2cc(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)n[nH]2)s1 ZINC000174952454 1427463071 /nfs/dbraw/zinc/46/30/71/1427463071.db2.gz HATQTJDFRZKNSA-UHFFFAOYSA-N 0 1 381.465 3.439 20 0 GGADMN Cc1nc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000174966549 1427470694 /nfs/dbraw/zinc/47/06/94/1427470694.db2.gz IWVRLGPDHYEILT-MNOVXSKESA-N 0 1 399.421 3.047 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(OCCC(C)C)cc3)C2)CC1 ZINC000174981205 1427477221 /nfs/dbraw/zinc/47/72/21/1427477221.db2.gz QRODKACBJGVMIF-HXUWFJFHSA-N 0 1 388.556 3.355 20 0 GGADMN CC[NH+](CC)[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)Cc1ccccc1 ZINC000174980097 1427477507 /nfs/dbraw/zinc/47/75/07/1427477507.db2.gz POKZHYUGINDFJD-GOSISDBHSA-N 0 1 398.551 3.059 20 0 GGADMN O=C(c1cc(Oc2ccccc2)ccc1O)N1CCN(C2CCOCC2)CC1 ZINC000174988155 1427481603 /nfs/dbraw/zinc/48/16/03/1427481603.db2.gz MZOWMUZNRIONTF-UHFFFAOYSA-N 0 1 382.460 3.121 20 0 GGADMN COc1ccc(CCNC(=O)[C@H](C)N2C[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC000174987326 1427481729 /nfs/dbraw/zinc/48/17/29/1427481729.db2.gz BHYRHPRVPCLVAX-JLHGSKIFSA-N 0 1 382.504 3.444 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000174990523 1427483102 /nfs/dbraw/zinc/48/31/02/1427483102.db2.gz SVGJIRSXEUXWEP-UHFFFAOYSA-N 0 1 384.457 3.351 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000174990828 1427483137 /nfs/dbraw/zinc/48/31/37/1427483137.db2.gz TUNRRGFRHJLRTG-UHFFFAOYSA-N 0 1 390.505 3.495 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)c2)CC1 ZINC000174991538 1427483529 /nfs/dbraw/zinc/48/35/29/1427483529.db2.gz CEEQAMAZDHWCOM-NHCUHLMSSA-N 0 1 387.568 3.005 20 0 GGADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000174992632 1427484284 /nfs/dbraw/zinc/48/42/84/1427484284.db2.gz HLXWAGFRVLAJIO-UHFFFAOYSA-N 0 1 386.473 3.126 20 0 GGADMN CC(C)N1CCC[C@@H](Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1=O ZINC000174994735 1427485249 /nfs/dbraw/zinc/48/52/49/1427485249.db2.gz BXMLUPJQKXVJRJ-HXUWFJFHSA-N 0 1 386.540 3.312 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](C)c3sc(C)nc3C)C2=O)c1 ZINC000174999393 1427488367 /nfs/dbraw/zinc/48/83/67/1427488367.db2.gz HGMBOANEZMDFQG-SJKOYZFVSA-N 0 1 375.494 3.233 20 0 GGADMN Cc1c(COc2ccccc2)cccc1NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000174999633 1427489237 /nfs/dbraw/zinc/48/92/37/1427489237.db2.gz SKZVRQZGESSHPU-UHFFFAOYSA-N 0 1 397.519 3.494 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)c3ccc4c(c3)CCO4)C2=O)c1 ZINC000175003976 1427491793 /nfs/dbraw/zinc/49/17/93/1427491793.db2.gz JIJZIJMRGNKXJW-XOBRGWDASA-N 0 1 382.460 3.095 20 0 GGADMN COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)CC3 ZINC000826212012 1427493291 /nfs/dbraw/zinc/49/32/91/1427493291.db2.gz CYULLXHCISTVPQ-CQSZACIVSA-N 0 1 392.438 3.143 20 0 GGADMN Cc1nnc(SCCC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000175009961 1427494828 /nfs/dbraw/zinc/49/48/28/1427494828.db2.gz YPZGCOWMRJYIKV-QGZVFWFLSA-N 0 1 394.928 3.221 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736290075 1427495538 /nfs/dbraw/zinc/49/55/38/1427495538.db2.gz GTTXROZKQYVVSH-CKEIUWERSA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736290075 1427495544 /nfs/dbraw/zinc/49/55/44/1427495544.db2.gz GTTXROZKQYVVSH-CKEIUWERSA-N 0 1 386.500 3.163 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000736290075 1427495549 /nfs/dbraw/zinc/49/55/49/1427495549.db2.gz GTTXROZKQYVVSH-CKEIUWERSA-N 0 1 386.500 3.163 20 0 GGADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3c(C)cccc3OC(F)F)cc21 ZINC000175015179 1427499290 /nfs/dbraw/zinc/49/92/90/1427499290.db2.gz KAMSILAEIIQRRC-UHFFFAOYSA-N 0 1 396.415 3.306 20 0 GGADMN CC(C)Cn1cnc(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC000175018829 1427501996 /nfs/dbraw/zinc/50/19/96/1427501996.db2.gz VGLJWTYINIOLGP-QGZVFWFLSA-N 0 1 390.553 3.043 20 0 GGADMN O=C1Cc2cc(S(=O)(=O)Nc3cc(Cc4ccccc4)ccc3O)ccc2N1 ZINC000175024940 1427506640 /nfs/dbraw/zinc/50/66/40/1427506640.db2.gz KEZKBFSJKBVLDG-UHFFFAOYSA-N 0 1 394.452 3.278 20 0 GGADMN CNC(=O)CC1CCN(CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000175039752 1427514085 /nfs/dbraw/zinc/51/40/85/1427514085.db2.gz QUJHBJOVAGHJKK-UHFFFAOYSA-N 0 1 377.573 3.329 20 0 GGADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175041568 1427514672 /nfs/dbraw/zinc/51/46/72/1427514672.db2.gz SNVPJROCNGNGQI-GOSISDBHSA-N 0 1 387.455 3.406 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000175043903 1427516089 /nfs/dbraw/zinc/51/60/89/1427516089.db2.gz GXURPGBSIZKKPG-UHFFFAOYSA-N 0 1 388.556 3.104 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000175043903 1427516093 /nfs/dbraw/zinc/51/60/93/1427516093.db2.gz GXURPGBSIZKKPG-UHFFFAOYSA-N 0 1 388.556 3.104 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000175055643 1427522830 /nfs/dbraw/zinc/52/28/30/1427522830.db2.gz ATSFXROILDXLRU-RTWAWAEBSA-N 0 1 392.547 3.307 20 0 GGADMN C[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)C1CCCCC1 ZINC000175061337 1427525766 /nfs/dbraw/zinc/52/57/66/1427525766.db2.gz MCCXBNXSQIZLLK-INIZCTEOSA-N 0 1 389.565 3.259 20 0 GGADMN C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)C1CCCCC1 ZINC000175061353 1427525780 /nfs/dbraw/zinc/52/57/80/1427525780.db2.gz MCCXBNXSQIZLLK-MRXNPFEDSA-N 0 1 389.565 3.259 20 0 GGADMN CC(C)(CNC(=O)CSc1n[n-]c(=S)s1)[N@H+]1CCc2ccccc2C1 ZINC000175063459 1427526511 /nfs/dbraw/zinc/52/65/11/1427526511.db2.gz JAVXZQQYXPDAIW-UHFFFAOYSA-N 0 1 394.591 3.246 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccc(Br)cc1 ZINC000175066705 1427528047 /nfs/dbraw/zinc/52/80/47/1427528047.db2.gz MGTJKBBFPVVLPF-UHFFFAOYSA-N 0 1 376.326 3.372 20 0 GGADMN CC[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000175075923 1427532896 /nfs/dbraw/zinc/53/28/96/1427532896.db2.gz LUDUQGLGWZZHJY-LJQANCHMSA-N 0 1 388.462 3.139 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000175085735 1427538570 /nfs/dbraw/zinc/53/85/70/1427538570.db2.gz LXQLGXYSCMWZAW-WEVVVXLNSA-N 0 1 395.528 3.295 20 0 GGADMN COc1cccc([C@@H](CNC(=O)CCc2nc3c(cccc3C)[nH]2)N(C)C)c1 ZINC000175085590 1427538620 /nfs/dbraw/zinc/53/86/20/1427538620.db2.gz GPMLLZAAFBREKF-LJQANCHMSA-N 0 1 380.492 3.232 20 0 GGADMN C[C@H](Nc1ccccc1C[NH+]1CCC(CO)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662664 1427549074 /nfs/dbraw/zinc/54/90/74/1427549074.db2.gz PBKUMKNFRJIFKG-INIZCTEOSA-N 0 1 392.507 3.244 20 0 GGADMN COC1CC[NH+](C2(CNc3cc(Cl)ccc3-c3nn[n-]n3)CCCC2)CC1 ZINC000736963109 1427551495 /nfs/dbraw/zinc/55/14/95/1427551495.db2.gz SCYYMJAUDVSAAT-UHFFFAOYSA-N 0 1 390.919 3.356 20 0 GGADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1ccc2nc(C3CC3)oc2c1 ZINC000175118589 1427556246 /nfs/dbraw/zinc/55/62/46/1427556246.db2.gz AVCBNMNSOUSLQH-UHFFFAOYSA-N 0 1 389.415 3.340 20 0 GGADMN Cc1c(Cl)cnc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826238082 1427561031 /nfs/dbraw/zinc/56/10/31/1427561031.db2.gz VWANBFBSIDYMTM-CQSZACIVSA-N 0 1 397.914 3.324 20 0 GGADMN Cc1c(Cl)cnc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826238082 1427561032 /nfs/dbraw/zinc/56/10/32/1427561032.db2.gz VWANBFBSIDYMTM-CQSZACIVSA-N 0 1 397.914 3.324 20 0 GGADMN Cc1c(Cl)cnc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826238082 1427561035 /nfs/dbraw/zinc/56/10/35/1427561035.db2.gz VWANBFBSIDYMTM-CQSZACIVSA-N 0 1 397.914 3.324 20 0 GGADMN CCCC(CCC)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825242408 1427561764 /nfs/dbraw/zinc/56/17/64/1427561764.db2.gz QJVYHTNNJRZXQY-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CCCC(CCC)C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825242408 1427561767 /nfs/dbraw/zinc/56/17/67/1427561767.db2.gz QJVYHTNNJRZXQY-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CCCC(CCC)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825242408 1427561771 /nfs/dbraw/zinc/56/17/71/1427561771.db2.gz QJVYHTNNJRZXQY-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1nnc2ccccc2c1O ZINC000175145902 1427567998 /nfs/dbraw/zinc/56/79/98/1427567998.db2.gz DPOSUDOVDPKZCI-UHFFFAOYSA-N 0 1 379.416 3.060 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000175148062 1427568720 /nfs/dbraw/zinc/56/87/20/1427568720.db2.gz JYXKUQUZMRSWMH-HNNXBMFYSA-N 0 1 376.545 3.006 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000175148062 1427568723 /nfs/dbraw/zinc/56/87/23/1427568723.db2.gz JYXKUQUZMRSWMH-HNNXBMFYSA-N 0 1 376.545 3.006 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000175156196 1427572144 /nfs/dbraw/zinc/57/21/44/1427572144.db2.gz YIEPWPIGFVOKPK-QPJJXVBHSA-N 0 1 392.575 3.150 20 0 GGADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000175159094 1427573868 /nfs/dbraw/zinc/57/38/68/1427573868.db2.gz LNWUVKRALXMYRR-INIZCTEOSA-N 0 1 396.535 3.331 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000737525468 1427575818 /nfs/dbraw/zinc/57/58/18/1427575818.db2.gz QRMCLSTYMOCNMC-OAHLLOKOSA-N 0 1 388.479 3.127 20 0 GGADMN COc1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1-c1nnn[n-]1 ZINC000821808863 1427579736 /nfs/dbraw/zinc/57/97/36/1427579736.db2.gz KLYRLUWWQBVBDU-ZDUSSCGKSA-N 0 1 392.246 3.405 20 0 GGADMN Cc1cccc2c(CCNC(=O)NC3CCN(Cc4ccccn4)CC3)c[nH]c21 ZINC000175177747 1427583651 /nfs/dbraw/zinc/58/36/51/1427583651.db2.gz XKLNWVHDINWZGI-UHFFFAOYSA-N 0 1 391.519 3.378 20 0 GGADMN CN1CCN(Cc2ccc(C(=O)Nc3ccccc3OCC3CC3)cc2)CC1 ZINC000175177034 1427583838 /nfs/dbraw/zinc/58/38/38/1427583838.db2.gz ACVSSGILBFEXRN-UHFFFAOYSA-N 0 1 379.504 3.475 20 0 GGADMN Cc1cccc(O[C@@H](C)CNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000175180064 1427585763 /nfs/dbraw/zinc/58/57/63/1427585763.db2.gz RSEKEVOEXNTMSB-SFHVURJKSA-N 0 1 382.508 3.121 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccccc1Cl ZINC000175179648 1427585795 /nfs/dbraw/zinc/58/57/95/1427585795.db2.gz XKALUVBYOBGSFW-QAPCUYQASA-N 0 1 394.947 3.020 20 0 GGADMN COCCCOc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000175185439 1427588447 /nfs/dbraw/zinc/58/84/47/1427588447.db2.gz OHUVXYHXFCULBA-UHFFFAOYSA-N 0 1 382.504 3.450 20 0 GGADMN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000175196706 1427593619 /nfs/dbraw/zinc/59/36/19/1427593619.db2.gz KWVRGLDAWJEABL-UHFFFAOYSA-N 0 1 386.471 3.089 20 0 GGADMN COc1cc(NC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1NC(C)=O ZINC000175204210 1427598335 /nfs/dbraw/zinc/59/83/35/1427598335.db2.gz ZHBGAIXMBROHCB-UHFFFAOYSA-N 0 1 388.443 3.046 20 0 GGADMN CCO[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C12CCCC2 ZINC000175214275 1427606278 /nfs/dbraw/zinc/60/62/78/1427606278.db2.gz BMDAJNLHWHUKBX-VQTJNVASSA-N 0 1 386.540 3.083 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCS1 ZINC000824984934 1427607039 /nfs/dbraw/zinc/60/70/39/1427607039.db2.gz POVMGONLJDEJRW-OAHLLOKOSA-N 0 1 381.505 3.383 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000175215884 1427607474 /nfs/dbraw/zinc/60/74/74/1427607474.db2.gz IPOBCXBJOXKYAL-NRFANRHFSA-N 0 1 378.520 3.320 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175221031 1427611188 /nfs/dbraw/zinc/61/11/88/1427611188.db2.gz MWONGFVMXICWNO-CVDCTZTESA-N 0 1 377.488 3.080 20 0 GGADMN CNC(=O)c1cc(NC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1Cl ZINC000175228366 1427614462 /nfs/dbraw/zinc/61/44/62/1427614462.db2.gz AFOHJFIRGXFINM-UHFFFAOYSA-N 0 1 392.862 3.092 20 0 GGADMN CCNC(=O)c1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)c(C)c1 ZINC000175235814 1427617369 /nfs/dbraw/zinc/61/73/69/1427617369.db2.gz RXFFSZXXNJSVES-UHFFFAOYSA-N 0 1 386.471 3.137 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175239180 1427620596 /nfs/dbraw/zinc/62/05/96/1427620596.db2.gz ZUMJPGIJNZOKDT-DLBZAZTESA-N 0 1 381.476 3.393 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](CC(N)=O)C1 ZINC000175255929 1427628962 /nfs/dbraw/zinc/62/89/62/1427628962.db2.gz HROTWZYWGATSOW-GHMZBOCLSA-N 0 1 391.821 3.273 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](C)Sc3ccccc3)n2)cc1 ZINC000175261184 1427630975 /nfs/dbraw/zinc/63/09/75/1427630975.db2.gz SYAJQCCOGMGEQH-AWEZNQCLSA-N 0 1 397.504 3.460 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@H](C)Sc3ccccc3)n[nH]2)cc1 ZINC000175261184 1427630978 /nfs/dbraw/zinc/63/09/78/1427630978.db2.gz SYAJQCCOGMGEQH-AWEZNQCLSA-N 0 1 397.504 3.460 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NC[C@@H](C)Oc3cccc(C)c3)n2)cc1 ZINC000175261306 1427631299 /nfs/dbraw/zinc/63/12/99/1427631299.db2.gz PRTAYKFZZCUZBF-OAHLLOKOSA-N 0 1 395.463 3.055 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NC[C@@H](C)Oc3cccc(C)c3)n[nH]2)cc1 ZINC000175261306 1427631310 /nfs/dbraw/zinc/63/13/10/1427631310.db2.gz PRTAYKFZZCUZBF-OAHLLOKOSA-N 0 1 395.463 3.055 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)C12CCCC2 ZINC000175261937 1427632255 /nfs/dbraw/zinc/63/22/55/1427632255.db2.gz XVFUNVQRICRAGU-IAGOWNOFSA-N 0 1 399.495 3.017 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)C12CCCC2 ZINC000175261937 1427632261 /nfs/dbraw/zinc/63/22/61/1427632261.db2.gz XVFUNVQRICRAGU-IAGOWNOFSA-N 0 1 399.495 3.017 20 0 GGADMN CCC(CC)c1cc(CNC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)on1 ZINC000175263361 1427633361 /nfs/dbraw/zinc/63/33/61/1427633361.db2.gz UDYDZJYVMCHXPD-UHFFFAOYSA-N 0 1 398.467 3.371 20 0 GGADMN CCC(CC)c1cc(CNC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)on1 ZINC000175263361 1427633370 /nfs/dbraw/zinc/63/33/70/1427633370.db2.gz UDYDZJYVMCHXPD-UHFFFAOYSA-N 0 1 398.467 3.371 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175265444 1427634702 /nfs/dbraw/zinc/63/47/02/1427634702.db2.gz IYHXGELYZAZOIG-VGSWGCGISA-N 0 1 395.503 3.271 20 0 GGADMN CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(N3CCC[NH+]=C3[O-])c2)c1 ZINC000175266543 1427634799 /nfs/dbraw/zinc/63/47/99/1427634799.db2.gz WPLWTWVBEHKOIB-UHFFFAOYSA-N 0 1 386.839 3.470 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000175267413 1427635910 /nfs/dbraw/zinc/63/59/10/1427635910.db2.gz PJRFEJHECJVAQA-WOJBJXKFSA-N 0 1 375.582 3.228 20 0 GGADMN COCCOc1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1F ZINC000175269148 1427636448 /nfs/dbraw/zinc/63/64/48/1427636448.db2.gz AQZDUECPAWHCEQ-UHFFFAOYSA-N 0 1 393.434 3.244 20 0 GGADMN Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c2cnn(C)c2n1 ZINC000175280658 1427644790 /nfs/dbraw/zinc/64/47/90/1427644790.db2.gz RJTPCRVDUNKSND-IBGZPJMESA-N 0 1 397.910 3.497 20 0 GGADMN Fc1ccc(-c2c[nH]c([C@H]3CCCN3Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000826372649 1427646100 /nfs/dbraw/zinc/64/61/00/1427646100.db2.gz GPWBZMGWYNHPEM-MRXNPFEDSA-N 0 1 379.399 3.326 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1cccc(C)c1 ZINC000175295496 1427653498 /nfs/dbraw/zinc/65/34/98/1427653498.db2.gz CLXFOIYCOPWLTH-UHFFFAOYSA-N 0 1 383.492 3.163 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1cc(C)ccc1C ZINC000175294805 1427653707 /nfs/dbraw/zinc/65/37/07/1427653707.db2.gz KQHLRBFWLLOEER-UHFFFAOYSA-N 0 1 397.519 3.471 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(COC)c1 ZINC000175298167 1427657097 /nfs/dbraw/zinc/65/70/97/1427657097.db2.gz YDUGJYRRRQPYNG-UHFFFAOYSA-N 0 1 383.492 3.236 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)/C=C/c1cnc(C)s1 ZINC000175299337 1427657528 /nfs/dbraw/zinc/65/75/28/1427657528.db2.gz VCWSPYLGDWXWQQ-SOFGYWHQSA-N 0 1 386.521 3.254 20 0 GGADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820684477 1427658099 /nfs/dbraw/zinc/65/80/99/1427658099.db2.gz QEUISUMDLSGPGD-GASCZTMLSA-N 0 1 392.463 3.470 20 0 GGADMN C[S@](=O)c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000175299644 1427658838 /nfs/dbraw/zinc/65/88/38/1427658838.db2.gz ZIWZELQTKDCDCT-CLYVBNDRSA-N 0 1 389.521 3.043 20 0 GGADMN C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820298826 1427659067 /nfs/dbraw/zinc/65/90/67/1427659067.db2.gz AYCGCLIGYGBJAY-SNVBAGLBSA-N 0 1 378.299 3.412 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000175303952 1427663085 /nfs/dbraw/zinc/66/30/85/1427663085.db2.gz AEPSSSJSCCPMGK-UHFFFAOYSA-N 0 1 397.454 3.105 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(C(C)(C)C)[nH]n1 ZINC000175303573 1427663340 /nfs/dbraw/zinc/66/33/40/1427663340.db2.gz NHYXPHQKZSFEDA-UHFFFAOYSA-N 0 1 385.512 3.110 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000175305032 1427664425 /nfs/dbraw/zinc/66/44/25/1427664425.db2.gz LAXDSDHBDKOGSG-IBGZPJMESA-N 0 1 395.503 3.342 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000175309213 1427667441 /nfs/dbraw/zinc/66/74/41/1427667441.db2.gz IJXIRWRQTUKVFB-CQSZACIVSA-N 0 1 397.500 3.350 20 0 GGADMN O=C(Cc1n[nH]c2ccccc12)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000175314102 1427671269 /nfs/dbraw/zinc/67/12/69/1427671269.db2.gz WKQBRWFQPYMPMU-UHFFFAOYSA-N 0 1 393.838 3.251 20 0 GGADMN CCCCC[C@@H](C)NC(=O)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175315917 1427672259 /nfs/dbraw/zinc/67/22/59/1427672259.db2.gz HFWNBESVRJQOTA-LJQANCHMSA-N 0 1 387.568 3.408 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)cc1 ZINC000175329168 1427682454 /nfs/dbraw/zinc/68/24/54/1427682454.db2.gz UXIYSNXFSFLUET-QFIPXVFZSA-N 0 1 393.531 3.153 20 0 GGADMN O=C(NCCN1CCc2ccccc2C1)N1CCC(OCC2CCCC2)CC1 ZINC000175329879 1427683427 /nfs/dbraw/zinc/68/34/27/1427683427.db2.gz JLYVCDKKUHZPBC-UHFFFAOYSA-N 0 1 385.552 3.426 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824992121 1427684419 /nfs/dbraw/zinc/68/44/19/1427684419.db2.gz KAWIMTYEMSJDLG-ZIAGYGMSSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824992121 1427684420 /nfs/dbraw/zinc/68/44/20/1427684420.db2.gz KAWIMTYEMSJDLG-ZIAGYGMSSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824992121 1427684421 /nfs/dbraw/zinc/68/44/21/1427684421.db2.gz KAWIMTYEMSJDLG-ZIAGYGMSSA-N 0 1 383.887 3.014 20 0 GGADMN CCC[NH+](CCC)CCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825313339 1427684512 /nfs/dbraw/zinc/68/45/12/1427684512.db2.gz BTLIWOANRGUVGZ-UHFFFAOYSA-N 0 1 396.539 3.385 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CCO2)n[nH]1 ZINC000175333556 1427685915 /nfs/dbraw/zinc/68/59/15/1427685915.db2.gz QELUKNXRAPMQLA-ZIAGYGMSSA-N 0 1 393.900 3.087 20 0 GGADMN COC[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000175337394 1427688755 /nfs/dbraw/zinc/68/87/55/1427688755.db2.gz CDWTXRSCATVXBB-GOSISDBHSA-N 0 1 375.444 3.070 20 0 GGADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cccc(N2CCCNC2=O)c1 ZINC000175341199 1427691884 /nfs/dbraw/zinc/69/18/84/1427691884.db2.gz RNKSEJHQXKFGBY-UHFFFAOYSA-N 0 1 396.838 3.297 20 0 GGADMN CN(CCNC(=O)Nc1cccc(-c2nccn2C)c1)Cc1ccc(F)cc1 ZINC000175342746 1427692963 /nfs/dbraw/zinc/69/29/63/1427692963.db2.gz LKRSCEWSGRDMNA-UHFFFAOYSA-N 0 1 381.455 3.480 20 0 GGADMN CC[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)C(C)(C)c1ccccc1 ZINC000175344354 1427693456 /nfs/dbraw/zinc/69/34/56/1427693456.db2.gz GNYHVSRXDDMITD-NRFANRHFSA-N 0 1 387.568 3.497 20 0 GGADMN CC[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)C(C)(C)c1ccccc1 ZINC000175344376 1427693536 /nfs/dbraw/zinc/69/35/36/1427693536.db2.gz GNYHVSRXDDMITD-OAQYLSRUSA-N 0 1 387.568 3.497 20 0 GGADMN CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000825096978 1427696828 /nfs/dbraw/zinc/69/68/28/1427696828.db2.gz RSKLZVANCUHJJE-HXUWFJFHSA-N 0 1 396.539 3.261 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)N1CCN(C)CC1 ZINC000175348891 1427697364 /nfs/dbraw/zinc/69/73/64/1427697364.db2.gz DGVDYGSHNOIEBI-TYCQWZJGSA-N 0 1 390.547 3.020 20 0 GGADMN CC(C)[C@@H](CNC(=O)NC1CCN(Cc2ccncc2)CC1)c1cccnc1 ZINC000175357201 1427702818 /nfs/dbraw/zinc/70/28/18/1427702818.db2.gz ICVMEKWCHGJSNP-OAQYLSRUSA-N 0 1 381.524 3.180 20 0 GGADMN CC[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000825139128 1427704547 /nfs/dbraw/zinc/70/45/47/1427704547.db2.gz CBKGJKHLSHKDER-CQSZACIVSA-N 0 1 392.435 3.276 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCN1C[C@@H](C)O ZINC000175360593 1427704974 /nfs/dbraw/zinc/70/49/74/1427704974.db2.gz FFGYKGJFKOZNIJ-DGCLKSJQSA-N 0 1 377.382 3.153 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCN1C[C@@H](C)O ZINC000175360615 1427705491 /nfs/dbraw/zinc/70/54/91/1427705491.db2.gz FFGYKGJFKOZNIJ-YPMHNXCESA-N 0 1 377.382 3.153 20 0 GGADMN O=C(Nc1ccc(F)c(Br)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000175360734 1427706094 /nfs/dbraw/zinc/70/60/94/1427706094.db2.gz KQSSCAKNFHSXSQ-UHFFFAOYSA-N 0 1 394.225 3.366 20 0 GGADMN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175360829 1427706235 /nfs/dbraw/zinc/70/62/35/1427706235.db2.gz VTNRTGCECXBODY-ZBFHGGJFSA-N 0 1 379.485 3.090 20 0 GGADMN COc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000826210437 1427706257 /nfs/dbraw/zinc/70/62/57/1427706257.db2.gz RQHCJZJYURNFKS-UHFFFAOYSA-N 0 1 382.443 3.091 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000175397464 1427731243 /nfs/dbraw/zinc/73/12/43/1427731243.db2.gz PQCURQICJLPADA-OKZBNKHCSA-N 0 1 391.556 3.299 20 0 GGADMN COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000175397502 1427731359 /nfs/dbraw/zinc/73/13/59/1427731359.db2.gz PQCURQICJLPADA-RCCFBDPRSA-N 0 1 391.556 3.299 20 0 GGADMN Cc1cnc(CNC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000175397826 1427731472 /nfs/dbraw/zinc/73/14/72/1427731472.db2.gz LGTOQJZXGWTCBI-GASCZTMLSA-N 0 1 388.537 3.060 20 0 GGADMN C/C(=C\C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1OC(F)F ZINC000175404955 1427735792 /nfs/dbraw/zinc/73/57/92/1427735792.db2.gz QNRCVVPKFOPPEQ-MAUBAPBLSA-N 0 1 394.462 3.262 20 0 GGADMN CC1(C)CN(C(=O)c2oc3ccccc3c2CSc2ncccn2)CCN1 ZINC000175405917 1427736564 /nfs/dbraw/zinc/73/65/64/1427736564.db2.gz JZEJXZZTVAAMMO-UHFFFAOYSA-N 0 1 382.489 3.339 20 0 GGADMN Cc1cc(NC(=O)NCCN(C)Cc2ccc(F)cc2)ccc1C(=O)N(C)C ZINC000175410343 1427739058 /nfs/dbraw/zinc/73/90/58/1427739058.db2.gz FTOVOPGTNRXBKR-UHFFFAOYSA-N 0 1 386.471 3.089 20 0 GGADMN CCc1ccc([C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000736688421 1427740716 /nfs/dbraw/zinc/74/07/16/1427740716.db2.gz VVEUXNLNHMIIPW-SFHVURJKSA-N 0 1 388.479 3.087 20 0 GGADMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)CCO2)n[nH]1 ZINC000175413747 1427741085 /nfs/dbraw/zinc/74/10/85/1427741085.db2.gz RSVAQFSDJPUASN-HOTGVXAUSA-N 0 1 375.448 3.123 20 0 GGADMN Cc1cc(C)cc(OC[C@H](O)CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175414936 1427741602 /nfs/dbraw/zinc/74/16/02/1427741602.db2.gz BHJSIMNLYKUFFP-RYGBOPQRSA-N 0 1 375.534 3.474 20 0 GGADMN COc1cc(C(=O)N2CCNC(C)(C)C2)cc(OC)c1OCc1ccccc1 ZINC000175415750 1427742912 /nfs/dbraw/zinc/74/29/12/1427742912.db2.gz AYFFOVDBWSPLMH-UHFFFAOYSA-N 0 1 384.476 3.107 20 0 GGADMN COC(=O)c1cccc(OCCN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000175419510 1427744869 /nfs/dbraw/zinc/74/48/69/1427744869.db2.gz CFMURBTVTOFPAN-QWXGXRTQSA-N 0 1 375.490 3.282 20 0 GGADMN COC(=O)c1cccc(OCCN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000175419532 1427744971 /nfs/dbraw/zinc/74/49/71/1427744971.db2.gz CFMURBTVTOFPAN-PVPMGCCUSA-N 0 1 375.490 3.282 20 0 GGADMN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000175419281 1427744983 /nfs/dbraw/zinc/74/49/83/1427744983.db2.gz FANLJPOZEIYRQQ-FQEVSTJZSA-N 0 1 385.483 3.369 20 0 GGADMN C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000175424096 1427747111 /nfs/dbraw/zinc/74/71/11/1427747111.db2.gz AMZPWZGZIYBMAR-LBPRGKRZSA-N 0 1 394.880 3.471 20 0 GGADMN C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000175424075 1427747164 /nfs/dbraw/zinc/74/71/64/1427747164.db2.gz AMZPWZGZIYBMAR-GFCCVEGCSA-N 0 1 394.880 3.471 20 0 GGADMN C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1nc(C2CCCCC2)no1 ZINC000175427797 1427748979 /nfs/dbraw/zinc/74/89/79/1427748979.db2.gz FIFIFPLYGWTHOZ-INIZCTEOSA-N 0 1 390.528 3.330 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000737032345 1427749525 /nfs/dbraw/zinc/74/95/25/1427749525.db2.gz JTSGCLYIDGKOCE-UHFFFAOYSA-N 0 1 379.873 3.101 20 0 GGADMN CCC(CC)[C@H](CNC(=O)CCc1nc2c(cccc2C)[nH]1)N1CCOCC1 ZINC000175430910 1427751241 /nfs/dbraw/zinc/75/12/41/1427751241.db2.gz HCNDDXQPKPFBDB-IBGZPJMESA-N 0 1 386.540 3.057 20 0 GGADMN CCC(CC)[C@@H](CNC(=O)CCc1nc2c(cccc2C)[nH]1)N1CCOCC1 ZINC000175430887 1427751318 /nfs/dbraw/zinc/75/13/18/1427751318.db2.gz HCNDDXQPKPFBDB-LJQANCHMSA-N 0 1 386.540 3.057 20 0 GGADMN COC[C@@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C)o1 ZINC000175431676 1427752216 /nfs/dbraw/zinc/75/22/16/1427752216.db2.gz BDFPZWVZNBRANY-SJORKVTESA-N 0 1 375.469 3.313 20 0 GGADMN COc1cc(/C=C/C(=O)N2CCNC(C)(C)C2)ccc1OCc1c(C)noc1C ZINC000175438707 1427755069 /nfs/dbraw/zinc/75/50/69/1427755069.db2.gz FSXPWBQJVAIDRA-VQHVLOKHSA-N 0 1 399.491 3.103 20 0 GGADMN COc1cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c(SC)cc1OC ZINC000737045872 1427756572 /nfs/dbraw/zinc/75/65/72/1427756572.db2.gz RJAPHDRXSJMYIW-UHFFFAOYSA-N 0 1 385.493 3.238 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c(SC)cc1OC ZINC000737045872 1427756576 /nfs/dbraw/zinc/75/65/76/1427756576.db2.gz RJAPHDRXSJMYIW-UHFFFAOYSA-N 0 1 385.493 3.238 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)CCN1 ZINC000175443469 1427757039 /nfs/dbraw/zinc/75/70/39/1427757039.db2.gz VAVVZHORVGWJLG-UHFFFAOYSA-N 0 1 389.546 3.303 20 0 GGADMN Cc1nc(CCCC(=O)NCCCN2CCN(c3ccccc3)CC2)cs1 ZINC000175447209 1427759589 /nfs/dbraw/zinc/75/95/89/1427759589.db2.gz APLISCBUSUWKEO-UHFFFAOYSA-N 0 1 386.565 3.103 20 0 GGADMN CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000825460478 1427762380 /nfs/dbraw/zinc/76/23/80/1427762380.db2.gz YFQGOWKCAOCLHW-KRWDZBQOSA-N 0 1 391.523 3.177 20 0 GGADMN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(C2CCOCC2)CC1 ZINC000175465664 1427768994 /nfs/dbraw/zinc/76/89/94/1427768994.db2.gz WUUGRLUFVCKAQM-OAHLLOKOSA-N 0 1 390.915 3.171 20 0 GGADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000175471450 1427773146 /nfs/dbraw/zinc/77/31/46/1427773146.db2.gz AROXGAMSFMBLJK-UHFFFAOYSA-N 0 1 399.336 3.324 20 0 GGADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(OC3CCC3)c(F)c2)C[C@H](C)O1 ZINC000175475165 1427774708 /nfs/dbraw/zinc/77/47/08/1427774708.db2.gz YSIYUSDPGYJPSH-GJZGRUSLSA-N 0 1 379.476 3.378 20 0 GGADMN C[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000824616924 1427777919 /nfs/dbraw/zinc/77/79/19/1427777919.db2.gz BIMYTFBNXMRIEM-HNNXBMFYSA-N 0 1 399.458 3.365 20 0 GGADMN CCc1csc([C@@H]2CCC[N@@H+](Cc3cc(-c4nnn[n-]4)ccc3OC)C2)n1 ZINC000825740709 1427778122 /nfs/dbraw/zinc/77/81/22/1427778122.db2.gz YYKIHIMSGKSNHX-CQSZACIVSA-N 0 1 384.509 3.274 20 0 GGADMN Cc1nc([C@H]2CN(C(=O)NC[C@@H](C)c3c(Cl)cccc3Cl)CCO2)n[nH]1 ZINC000175484354 1427779588 /nfs/dbraw/zinc/77/95/88/1427779588.db2.gz FMXNYJLLHUKOPA-QMTHXVAHSA-N 0 1 398.294 3.307 20 0 GGADMN CC(C)[C@@H](CNC(=O)Nc1ccc(OC2CCC2)c(F)c1)N1CCN(C)CC1 ZINC000175485693 1427780609 /nfs/dbraw/zinc/78/06/09/1427780609.db2.gz FKYPBVPDUPUOLB-LJQANCHMSA-N 0 1 392.519 3.151 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C3CCOCC3)CC2)cc1 ZINC000175485307 1427781498 /nfs/dbraw/zinc/78/14/98/1427781498.db2.gz VAPDXTKRZXUKPV-HSZRJFAPSA-N 0 1 393.531 3.471 20 0 GGADMN c1cc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c2c(c1)OCCCO2 ZINC000823867992 1427783020 /nfs/dbraw/zinc/78/30/20/1427783020.db2.gz MEVHUXSCHGTVSU-UHFFFAOYSA-N 0 1 389.459 3.317 20 0 GGADMN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000175487324 1427783091 /nfs/dbraw/zinc/78/30/91/1427783091.db2.gz JSLQWRSBYOJSII-MRXNPFEDSA-N 0 1 391.487 3.333 20 0 GGADMN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736133559 1427783104 /nfs/dbraw/zinc/78/31/04/1427783104.db2.gz HWDNJOGKSKQFNB-LSDHHAIUSA-N 0 1 386.500 3.164 20 0 GGADMN Cc1c(Cl)cnc(NC2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826238546 1427788330 /nfs/dbraw/zinc/78/83/30/1427788330.db2.gz JDVROVUDZLGLKS-UHFFFAOYSA-N 0 1 383.887 3.300 20 0 GGADMN Cc1ccc(C(=O)N2CCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)cc1 ZINC000175496516 1427789593 /nfs/dbraw/zinc/78/95/93/1427789593.db2.gz FGKWPJARZAMDEN-UHFFFAOYSA-N 0 1 390.487 3.097 20 0 GGADMN C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824619753 1427792376 /nfs/dbraw/zinc/79/23/76/1427792376.db2.gz ZVBFGOBNZRPTQT-HNNXBMFYSA-N 0 1 398.486 3.187 20 0 GGADMN C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824619753 1427792379 /nfs/dbraw/zinc/79/23/79/1427792379.db2.gz ZVBFGOBNZRPTQT-HNNXBMFYSA-N 0 1 398.486 3.187 20 0 GGADMN Cc1nn(C)c2ncc(C(=O)N3CCN(C4CCC(C(C)C)CC4)CC3)cc12 ZINC000175503991 1427793247 /nfs/dbraw/zinc/79/32/47/1427793247.db2.gz KWKVALFTBPJPLM-UHFFFAOYSA-N 0 1 383.540 3.249 20 0 GGADMN CC(C)C1CCC(N2CCN(C(=O)c3ccccc3Cn3cncn3)CC2)CC1 ZINC000175505529 1427794609 /nfs/dbraw/zinc/79/46/09/1427794609.db2.gz OMOWZTRJEGQDAN-UHFFFAOYSA-N 0 1 395.551 3.299 20 0 GGADMN COc1ccc2oc([C@@H](C)NC(=O)N3CCO[C@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000175514022 1427800007 /nfs/dbraw/zinc/80/00/07/1427800007.db2.gz KSNYRWAYYFVLBF-PXAZEXFGSA-N 0 1 399.451 3.020 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nnn[n-]3)C2)c1 ZINC000826264130 1427807950 /nfs/dbraw/zinc/80/79/50/1427807950.db2.gz CWVWEGOTDWUOSG-OAHLLOKOSA-N 0 1 396.520 3.363 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)c1 ZINC000826264130 1427807953 /nfs/dbraw/zinc/80/79/53/1427807953.db2.gz CWVWEGOTDWUOSG-OAHLLOKOSA-N 0 1 396.520 3.363 20 0 GGADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)c1 ZINC000826264130 1427807955 /nfs/dbraw/zinc/80/79/55/1427807955.db2.gz CWVWEGOTDWUOSG-OAHLLOKOSA-N 0 1 396.520 3.363 20 0 GGADMN O=C(CC[N@H+]1CC[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822964410 1427808712 /nfs/dbraw/zinc/80/87/12/1427808712.db2.gz IFBAHMYNKZQUHW-QGZVFWFLSA-N 0 1 382.855 3.296 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCCOC3CCOCC3)[nH]c2c1 ZINC000175540093 1427808821 /nfs/dbraw/zinc/80/88/21/1427808821.db2.gz OVFDDYFESURPBK-IBGZPJMESA-N 0 1 386.496 3.304 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000175541315 1427809243 /nfs/dbraw/zinc/80/92/43/1427809243.db2.gz UKXHWRBNYFCZIY-NHCUHLMSSA-N 0 1 397.519 3.498 20 0 GGADMN CC[C@H](NC(=O)NCCCN1CCN(c2cccc(C)c2)CC1)c1ccncc1 ZINC000175549148 1427811732 /nfs/dbraw/zinc/81/17/32/1427811732.db2.gz KEUTZWOBDFRMDE-QFIPXVFZSA-N 0 1 395.551 3.353 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000175554557 1427813703 /nfs/dbraw/zinc/81/37/03/1427813703.db2.gz QIPTTWNUCAUFJG-LEWJYISDSA-N 0 1 397.519 3.498 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCn4c(nnc4-c4ccccc4)C3)n[nH]2)cc1 ZINC000175554293 1427813732 /nfs/dbraw/zinc/81/37/32/1427813732.db2.gz FXQQFBHNFNEXSZ-UHFFFAOYSA-N 0 1 384.443 3.300 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668628 1427816149 /nfs/dbraw/zinc/81/61/49/1427816149.db2.gz VRKWBFKZHJBOPJ-ACJLOTCBSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820668628 1427816153 /nfs/dbraw/zinc/81/61/53/1427816153.db2.gz VRKWBFKZHJBOPJ-ACJLOTCBSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000175570276 1427818168 /nfs/dbraw/zinc/81/81/68/1427818168.db2.gz BIMGGEQSYKRCTO-HUUCEWRRSA-N 0 1 385.430 3.130 20 0 GGADMN CN(C)[C@H](CNC(=O)N(CCO)[C@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000175571748 1427819049 /nfs/dbraw/zinc/81/90/49/1427819049.db2.gz LDISTCWQEINKJZ-LEWJYISDSA-N 0 1 385.483 3.120 20 0 GGADMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c2cnn(C)c2n1 ZINC000175582013 1427821700 /nfs/dbraw/zinc/82/17/00/1427821700.db2.gz FRPSZCFMAGPJID-UHFFFAOYSA-N 0 1 377.492 3.013 20 0 GGADMN CN(Cc1nnc[nH]1)C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000175586127 1427822773 /nfs/dbraw/zinc/82/27/73/1427822773.db2.gz KDOLSBDLQFIRSL-IBGZPJMESA-N 0 1 380.492 3.002 20 0 GGADMN O=C(NCC(c1ccccc1)c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175586980 1427823231 /nfs/dbraw/zinc/82/32/31/1427823231.db2.gz MJNZUWPBNVKELZ-FQEVSTJZSA-N 0 1 393.531 3.182 20 0 GGADMN CCCOC1(CNC(=O)NC2CCN(Cc3ccccn3)CC2)CCCCC1 ZINC000175589575 1427824231 /nfs/dbraw/zinc/82/42/31/1427824231.db2.gz RHWWSTFAKLVPTO-UHFFFAOYSA-N 0 1 388.556 3.475 20 0 GGADMN COc1ccccc1[C@@H](CNc1nccc(C)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000826218549 1427825425 /nfs/dbraw/zinc/82/54/25/1427825425.db2.gz FZMZDQXNXICNQC-QGZVFWFLSA-N 0 1 393.495 3.218 20 0 GGADMN CSc1ccc(CN(C)C(=O)CN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000175600694 1427827638 /nfs/dbraw/zinc/82/76/38/1427827638.db2.gz MKFMMUPHKMDWON-LJQANCHMSA-N 0 1 392.565 3.027 20 0 GGADMN Cc1ccc(CNC(=O)N2CCN(C[C@H]3CCOC3)CC2)c(OC(C)(C)C)c1 ZINC000175607030 1427829793 /nfs/dbraw/zinc/82/97/93/1427829793.db2.gz NGOLZDPNIOEPLC-GOSISDBHSA-N 0 1 389.540 3.036 20 0 GGADMN Cc1ccc(CNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c(OC(C)(C)C)c1 ZINC000175607015 1427829829 /nfs/dbraw/zinc/82/98/29/1427829829.db2.gz NGOLZDPNIOEPLC-SFHVURJKSA-N 0 1 389.540 3.036 20 0 GGADMN COc1cccc([C@H](CNC(=O)NC[C@H](c2cccnc2)C(C)C)N(C)C)c1 ZINC000175624411 1427836339 /nfs/dbraw/zinc/83/63/39/1427836339.db2.gz SORNCBAZUKUXIQ-SFTDATJTSA-N 0 1 384.524 3.432 20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@@H](c2cccnc2)C(C)C)N(C)C)c1 ZINC000175624429 1427836354 /nfs/dbraw/zinc/83/63/54/1427836354.db2.gz SORNCBAZUKUXIQ-NHCUHLMSSA-N 0 1 384.524 3.432 20 0 GGADMN CN(CCNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(F)cc1 ZINC000175628571 1427837170 /nfs/dbraw/zinc/83/71/70/1427837170.db2.gz SELAYFPJDKSHQJ-IBGZPJMESA-N 0 1 384.499 3.083 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1cccs1 ZINC000175627623 1427837281 /nfs/dbraw/zinc/83/72/81/1427837281.db2.gz GOFZZJKIOLNVTP-QZTJIDSGSA-N 0 1 395.569 3.111 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1cccs1 ZINC000175635342 1427839526 /nfs/dbraw/zinc/83/95/26/1427839526.db2.gz NUQSSIHGWHENOO-QGZVFWFLSA-N 0 1 394.491 3.161 20 0 GGADMN CN(CCNC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(F)cc1 ZINC000175638799 1427840431 /nfs/dbraw/zinc/84/04/31/1427840431.db2.gz YYARRQHTMXFAFU-UHFFFAOYSA-N 0 1 399.510 3.305 20 0 GGADMN C[NH+](C)CCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1CCCCCC1 ZINC000821586312 1427842164 /nfs/dbraw/zinc/84/21/64/1427842164.db2.gz SFBUOWBVVFLJJS-UHFFFAOYSA-N 0 1 384.528 3.117 20 0 GGADMN COc1cc(OC)c(CNC(=O)CCc2nc3cccc(C)c3[nH]2)c(OC)c1 ZINC000175645795 1427843046 /nfs/dbraw/zinc/84/30/46/1427843046.db2.gz JJZTUFMJFLPYNG-UHFFFAOYSA-N 0 1 383.448 3.146 20 0 GGADMN C[C@@H]1CN(C2CCN(C(=O)N[C@@H]3c4cccc(F)c4CC[C@@H]3C)CC2)CCO1 ZINC000175654169 1427845834 /nfs/dbraw/zinc/84/58/34/1427845834.db2.gz NPJOQKYOTZZBPV-MRUHUIDDSA-N 0 1 389.515 3.344 20 0 GGADMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN(C[C@H]2CCOC2)CC1 ZINC000175655459 1427846076 /nfs/dbraw/zinc/84/60/76/1427846076.db2.gz CIHPMDNASGOHES-RHSMWYFYSA-N 0 1 395.956 3.241 20 0 GGADMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175655429 1427846110 /nfs/dbraw/zinc/84/61/10/1427846110.db2.gz CIHPMDNASGOHES-YOEHRIQHSA-N 0 1 395.956 3.241 20 0 GGADMN O=C(NCC1(CN2CCOCC2)CCCCC1)[C@@H]1SCCc2sccc21 ZINC000175655808 1427846278 /nfs/dbraw/zinc/84/62/78/1427846278.db2.gz SFJYEEIWCSIDPY-GOSISDBHSA-N 0 1 394.606 3.477 20 0 GGADMN Cc1[nH]c2ccccc2c1CC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000175656748 1427846522 /nfs/dbraw/zinc/84/65/22/1427846522.db2.gz HGRRGVZJVOZHGQ-UHFFFAOYSA-N 0 1 383.536 3.418 20 0 GGADMN COC[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccc(C)o1 ZINC000175658643 1427847506 /nfs/dbraw/zinc/84/75/06/1427847506.db2.gz WYEXPVSTMJRART-IBGZPJMESA-N 0 1 386.496 3.157 20 0 GGADMN COC[C@@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccc(C)o1 ZINC000175658620 1427847545 /nfs/dbraw/zinc/84/75/45/1427847545.db2.gz WYEXPVSTMJRART-LJQANCHMSA-N 0 1 386.496 3.157 20 0 GGADMN CC(C)CCOc1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000175660838 1427848103 /nfs/dbraw/zinc/84/81/03/1427848103.db2.gz ROLXOBZTIVPWJP-UHFFFAOYSA-N 0 1 375.513 3.440 20 0 GGADMN CN(CCNC(=O)NCc1cccc(Cn2cccn2)c1)Cc1ccc(F)cc1 ZINC000175666298 1427850258 /nfs/dbraw/zinc/85/02/58/1427850258.db2.gz RBOPZFUFWCWFFT-UHFFFAOYSA-N 0 1 395.482 3.002 20 0 GGADMN O=C(COc1cccc2ccccc21)NC1CCN(Cc2cccnc2)CC1 ZINC000175669175 1427850985 /nfs/dbraw/zinc/85/09/85/1427850985.db2.gz GGUPQVIURQKZBY-UHFFFAOYSA-N 0 1 375.472 3.394 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000175669420 1427851201 /nfs/dbraw/zinc/85/12/01/1427851201.db2.gz AHMPKPYBOXMINT-QGZVFWFLSA-N 0 1 385.895 3.067 20 0 GGADMN O=C(COc1ccc(F)cc1Cl)NC1CCN(Cc2cccnc2)CC1 ZINC000175671590 1427851758 /nfs/dbraw/zinc/85/17/58/1427851758.db2.gz RYJQTVPODUWZRW-UHFFFAOYSA-N 0 1 377.847 3.034 20 0 GGADMN Cc1nc2cc(F)ccc2cc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175678386 1427853972 /nfs/dbraw/zinc/85/39/72/1427853972.db2.gz IOBVATYPTBNWIN-UHFFFAOYSA-N 0 1 378.451 3.472 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000175678604 1427854016 /nfs/dbraw/zinc/85/40/16/1427854016.db2.gz LULSWXBRRVQICY-UHFFFAOYSA-N 0 1 393.516 3.324 20 0 GGADMN COc1ccccc1C[C@H](C)CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175679117 1427854189 /nfs/dbraw/zinc/85/41/89/1427854189.db2.gz BOKCCXBYUJMBMN-SFHVURJKSA-N 0 1 381.520 3.440 20 0 GGADMN CC1CCN(c2ccc(C(=O)NC3CCN(Cc4cccnc4)CC3)cn2)CC1 ZINC000175678938 1427854231 /nfs/dbraw/zinc/85/42/31/1427854231.db2.gz OWPRBKUCWAKLST-UHFFFAOYSA-N 0 1 393.535 3.107 20 0 GGADMN COc1ccccc1C[C@@H](C)CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000175679130 1427854384 /nfs/dbraw/zinc/85/43/84/1427854384.db2.gz BOKCCXBYUJMBMN-GOSISDBHSA-N 0 1 381.520 3.440 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175679921 1427854824 /nfs/dbraw/zinc/85/48/24/1427854824.db2.gz WMVFOSWFUODBFJ-UPVQGACJSA-N 0 1 375.516 3.456 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Br)n1 ZINC000825318228 1427859527 /nfs/dbraw/zinc/85/95/27/1427859527.db2.gz JXYIEVYBEFQLEJ-UHFFFAOYSA-N 0 1 387.285 3.436 20 0 GGADMN C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl ZINC000175695372 1427861244 /nfs/dbraw/zinc/86/12/44/1427861244.db2.gz VTEXKDZNYCRZRF-OAHLLOKOSA-N 0 1 390.890 3.264 20 0 GGADMN C[C@H]1CN(C)c2ccccc2CN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000175696964 1427861974 /nfs/dbraw/zinc/86/19/74/1427861974.db2.gz XAVFDZGHTICQDJ-SFHVURJKSA-N 0 1 393.535 3.096 20 0 GGADMN CC(C)[C@H](CNC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C)N1CCN(C)CC1 ZINC000175700175 1427863407 /nfs/dbraw/zinc/86/34/07/1427863407.db2.gz OHTTUNPKFQTTHB-VQTJNVASSA-N 0 1 392.563 3.484 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000175705979 1427865144 /nfs/dbraw/zinc/86/51/44/1427865144.db2.gz DNKQSWLXBDTROV-WDEREUQCSA-N 0 1 375.391 3.249 20 0 GGADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3cccc(OC(F)(F)F)c3)C2=O)n(C)n1 ZINC000175707716 1427865915 /nfs/dbraw/zinc/86/59/15/1427865915.db2.gz XCFROXGBJUYLIO-WFASDCNBSA-N 0 1 382.386 3.083 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000175708768 1427866161 /nfs/dbraw/zinc/86/61/61/1427866161.db2.gz LOCKILGDKCJOFE-RYUDHWBXSA-N 0 1 395.381 3.362 20 0 GGADMN C[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1nc(Cc2ccccc2)no1 ZINC000175710072 1427866679 /nfs/dbraw/zinc/86/66/79/1427866679.db2.gz LGGWLOVQZMFTFN-SNVBAGLBSA-N 0 1 397.378 3.117 20 0 GGADMN CC(C)c1nc(CCNC(=O)NCCN(C)Cc2ccc(F)cc2)cs1 ZINC000175715691 1427868436 /nfs/dbraw/zinc/86/84/36/1427868436.db2.gz LTUYIRTUHYQERS-UHFFFAOYSA-N 0 1 378.517 3.379 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1ccco1 ZINC000175723868 1427870061 /nfs/dbraw/zinc/87/00/61/1427870061.db2.gz AEYAJIVXFZVCMO-RBUKOAKNSA-N 0 1 393.528 3.032 20 0 GGADMN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1(CC)CC ZINC000175728959 1427871676 /nfs/dbraw/zinc/87/16/76/1427871676.db2.gz HTDFKYBNEAEZKV-UXHICEINSA-N 0 1 388.556 3.329 20 0 GGADMN CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820067068 1427873328 /nfs/dbraw/zinc/87/33/28/1427873328.db2.gz BQKKPDNQPYDPOD-ZDUSSCGKSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820067068 1427873332 /nfs/dbraw/zinc/87/33/32/1427873332.db2.gz BQKKPDNQPYDPOD-ZDUSSCGKSA-N 0 1 388.541 3.114 20 0 GGADMN CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820067068 1427873337 /nfs/dbraw/zinc/87/33/37/1427873337.db2.gz BQKKPDNQPYDPOD-ZDUSSCGKSA-N 0 1 388.541 3.114 20 0 GGADMN C[S@](=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000175751132 1427878574 /nfs/dbraw/zinc/87/85/74/1427878574.db2.gz VORRVGWEBWXVPB-QLXKLKPCSA-N 0 1 375.494 3.366 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@]34CCc3ccccc34)n2)c(OC)c1 ZINC000175762835 1427883517 /nfs/dbraw/zinc/88/35/17/1427883517.db2.gz AVWLPNLZCLEJQX-VGSWGCGISA-N 0 1 390.443 3.332 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)c(F)cc1F ZINC000175769295 1427885912 /nfs/dbraw/zinc/88/59/12/1427885912.db2.gz BYPXBPJVJHDCBV-UHFFFAOYSA-N 0 1 386.395 3.050 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c(F)cc1F ZINC000175768867 1427886021 /nfs/dbraw/zinc/88/60/21/1427886021.db2.gz WFWZSYUDPMVJGL-UHFFFAOYSA-N 0 1 377.372 3.237 20 0 GGADMN Cc1nc(COc2ccc(NS(=O)(=O)c3cc(C)c(F)cc3F)cc2)no1 ZINC000175770173 1427886579 /nfs/dbraw/zinc/88/65/79/1427886579.db2.gz FNZOZLJFMHEHAL-UHFFFAOYSA-N 0 1 395.387 3.344 20 0 GGADMN Cc1cc(S(=O)(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c(F)cc1F ZINC000175771073 1427887309 /nfs/dbraw/zinc/88/73/09/1427887309.db2.gz KDUPNZMYJGNEFU-ZDUSSCGKSA-N 0 1 382.432 3.299 20 0 GGADMN CC(C)(C)OC(=O)NCc1nc(-c2ccc(NC(=O)c3cc[nH]c3)cc2)n[nH]1 ZINC000175774056 1427888379 /nfs/dbraw/zinc/88/83/79/1427888379.db2.gz SKWIJUADWFSBDL-UHFFFAOYSA-N 0 1 382.424 3.077 20 0 GGADMN CC(C)(C)OC(=O)NCc1n[nH]c(-c2ccc(NC(=O)c3cc[nH]c3)cc2)n1 ZINC000175774056 1427888385 /nfs/dbraw/zinc/88/83/85/1427888385.db2.gz SKWIJUADWFSBDL-UHFFFAOYSA-N 0 1 382.424 3.077 20 0 GGADMN Cc1ccc2c(c1)N(C(=O)c1cccc(CN3CCN(C)CC3)c1)C[C@@H](C)O2 ZINC000175775234 1427888399 /nfs/dbraw/zinc/88/83/99/1427888399.db2.gz CZAOCOCJAJOXNO-GOSISDBHSA-N 0 1 379.504 3.170 20 0 GGADMN COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826211000 1427888698 /nfs/dbraw/zinc/88/86/98/1427888698.db2.gz MAENEOWUWYYEFX-ZDUSSCGKSA-N 0 1 385.443 3.306 20 0 GGADMN c1ccc(CCOCCCCNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)cc1 ZINC000823779916 1427889388 /nfs/dbraw/zinc/88/93/88/1427889388.db2.gz LDUJAXAVQXWATP-UHFFFAOYSA-N 0 1 388.475 3.288 20 0 GGADMN C[C@@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)c1cccc(O)c1 ZINC000175780332 1427889940 /nfs/dbraw/zinc/88/99/40/1427889940.db2.gz WRLQRLXVCFKFMG-QGZVFWFLSA-N 0 1 375.513 3.035 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000736899446 1427890034 /nfs/dbraw/zinc/89/00/34/1427890034.db2.gz AFDQPRQBPPECOS-QSFXBCCZSA-N 0 1 391.475 3.267 20 0 GGADMN FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826367891 1427891953 /nfs/dbraw/zinc/89/19/53/1427891953.db2.gz SDIKUPQKJNIFMM-SNVBAGLBSA-N 0 1 376.180 3.013 20 0 GGADMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826367891 1427891958 /nfs/dbraw/zinc/89/19/58/1427891958.db2.gz SDIKUPQKJNIFMM-SNVBAGLBSA-N 0 1 376.180 3.013 20 0 GGADMN CO[C@@H](C)c1noc(CN2CCCN(CCSc3ccc(F)cc3)CC2)n1 ZINC000175793122 1427895269 /nfs/dbraw/zinc/89/52/69/1427895269.db2.gz LSIROAOVCKUTCH-HNNXBMFYSA-N 0 1 394.516 3.216 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CN1C1CC1 ZINC000175793824 1427895586 /nfs/dbraw/zinc/89/55/86/1427895586.db2.gz NCTMSZGJWNSTAP-ZBFHGGJFSA-N 0 1 387.549 3.401 20 0 GGADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)cc2)cc1 ZINC000175797527 1427896477 /nfs/dbraw/zinc/89/64/77/1427896477.db2.gz YFPCNKMNRSMCDR-SJLPKXTDSA-N 0 1 393.487 3.467 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2ccc([S@](C)=O)cc2)N2CCCC2)o1 ZINC000175799091 1427897098 /nfs/dbraw/zinc/89/70/98/1427897098.db2.gz QYBUKFMTDUYATG-QLXKLKPCSA-N 0 1 375.494 3.284 20 0 GGADMN CCc1nnc(-c2ccc(NC(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)cc2)o1 ZINC000175800580 1427897643 /nfs/dbraw/zinc/89/76/43/1427897643.db2.gz RDDFXNDGBKRHDD-UHFFFAOYSA-N 0 1 393.428 3.077 20 0 GGADMN CC[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000175801131 1427898107 /nfs/dbraw/zinc/89/81/07/1427898107.db2.gz RRACNOHEEBEZNR-WBVHZDCISA-N 0 1 397.466 3.103 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000175801107 1427898207 /nfs/dbraw/zinc/89/82/07/1427898207.db2.gz RRACNOHEEBEZNR-DOTOQJQBSA-N 0 1 397.466 3.103 20 0 GGADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nn(-c2ccccc2)cc1[O-] ZINC000175805290 1427899845 /nfs/dbraw/zinc/89/98/45/1427899845.db2.gz YIJVWKAITONBPB-INIZCTEOSA-N 0 1 396.516 3.281 20 0 GGADMN C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175805440 1427899862 /nfs/dbraw/zinc/89/98/62/1427899862.db2.gz ZRXOTJWFAFZQCN-PGRDOPGGSA-N 0 1 386.536 3.010 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175805351 1427899961 /nfs/dbraw/zinc/89/99/61/1427899961.db2.gz KEZOMORDZWFKJC-UGKGYDQZSA-N 0 1 388.552 3.474 20 0 GGADMN C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175805422 1427900103 /nfs/dbraw/zinc/90/01/03/1427900103.db2.gz ZRXOTJWFAFZQCN-GCJKJVERSA-N 0 1 386.536 3.010 20 0 GGADMN Cc1csc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)n1 ZINC000175811411 1427904123 /nfs/dbraw/zinc/90/41/23/1427904123.db2.gz HMOIJRRXOMGEFM-AWEZNQCLSA-N 0 1 392.550 3.041 20 0 GGADMN COc1ccccc1CCNC(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175814344 1427906415 /nfs/dbraw/zinc/90/64/15/1427906415.db2.gz IGWLNYPWRCTSFH-MSOLQXFVSA-N 0 1 388.533 3.004 20 0 GGADMN COCc1cccc(CNC(=O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175817434 1427908308 /nfs/dbraw/zinc/90/83/08/1427908308.db2.gz OYGNIFKTJWYCFE-MOPGFXCFSA-N 0 1 388.533 3.099 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826331904 1427911144 /nfs/dbraw/zinc/91/11/44/1427911144.db2.gz CJRRHROPGJRZOS-MRXNPFEDSA-N 0 1 375.436 3.291 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826331904 1427911147 /nfs/dbraw/zinc/91/11/47/1427911147.db2.gz CJRRHROPGJRZOS-MRXNPFEDSA-N 0 1 375.436 3.291 20 0 GGADMN CCOc1ccc(C2=CCN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000825638890 1427911980 /nfs/dbraw/zinc/91/19/80/1427911980.db2.gz QPXREYFMBUPCKC-UHFFFAOYSA-N 0 1 388.475 3.443 20 0 GGADMN Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)NCCN1CCCCC1 ZINC000175824450 1427913523 /nfs/dbraw/zinc/91/35/23/1427913523.db2.gz GAGGRFCAXBAXPD-UHFFFAOYSA-N 0 1 395.503 3.115 20 0 GGADMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000175828061 1427914680 /nfs/dbraw/zinc/91/46/80/1427914680.db2.gz QCCCNYPYEDSQKX-AWEZNQCLSA-N 0 1 380.448 3.416 20 0 GGADMN CCCOc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1OCCC ZINC000175831733 1427916666 /nfs/dbraw/zinc/91/66/66/1427916666.db2.gz DMWVTMCVDLNTQS-UHFFFAOYSA-N 0 1 390.524 3.201 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735859541 1427917583 /nfs/dbraw/zinc/91/75/83/1427917583.db2.gz WBPDZBIOCCTMGF-UHFFFAOYSA-N 0 1 377.905 3.429 20 0 GGADMN CC(C)[N@H+](C)Cc1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735859541 1427917587 /nfs/dbraw/zinc/91/75/87/1427917587.db2.gz WBPDZBIOCCTMGF-UHFFFAOYSA-N 0 1 377.905 3.429 20 0 GGADMN CC(C)[N@@H+](C)Cc1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735859541 1427917588 /nfs/dbraw/zinc/91/75/88/1427917588.db2.gz WBPDZBIOCCTMGF-UHFFFAOYSA-N 0 1 377.905 3.429 20 0 GGADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000175834633 1427918324 /nfs/dbraw/zinc/91/83/24/1427918324.db2.gz DZEPALWKJGBGFN-JRUMVTRASA-N 0 1 393.491 3.104 20 0 GGADMN COCc1ccccc1CNC(=O)CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175835801 1427919256 /nfs/dbraw/zinc/91/92/56/1427919256.db2.gz QOFKVTIYIJIKBQ-OALUTQOASA-N 0 1 388.533 3.099 20 0 GGADMN CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000821553789 1427919770 /nfs/dbraw/zinc/91/97/70/1427919770.db2.gz KBSSDRWDNFGLLL-CQSZACIVSA-N 0 1 389.463 3.372 20 0 GGADMN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(C2CCOCC2)CC1 ZINC000175839388 1427922385 /nfs/dbraw/zinc/92/23/85/1427922385.db2.gz DZTQQZDATBCPDO-UHFFFAOYSA-N 0 1 391.924 3.400 20 0 GGADMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175840955 1427923202 /nfs/dbraw/zinc/92/32/02/1427923202.db2.gz UMMVQCJXESRGGK-YRXWBPOGSA-N 0 1 394.581 3.348 20 0 GGADMN COc1ccc2cc([C@H](C)C(=O)N3CCN(C4CCOCC4)CC3)ccc2c1 ZINC000175841927 1427923998 /nfs/dbraw/zinc/92/39/98/1427923998.db2.gz XUXSXGHMARZCAV-KRWDZBQOSA-N 0 1 382.504 3.275 20 0 GGADMN O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(C2CCOCC2)CC1 ZINC000175842336 1427925045 /nfs/dbraw/zinc/92/50/45/1427925045.db2.gz NABHDGFHNLQGCY-SJORKVTESA-N 0 1 382.426 3.132 20 0 GGADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1Cc1ccccc1 ZINC000175844861 1427926643 /nfs/dbraw/zinc/92/66/43/1427926643.db2.gz NGKOQIKVLMCIMH-ZBFHGGJFSA-N 0 1 380.460 3.296 20 0 GGADMN COc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1F ZINC000175845400 1427926768 /nfs/dbraw/zinc/92/67/68/1427926768.db2.gz TVGBFQDDCFVCLB-WBVHZDCISA-N 0 1 392.496 3.166 20 0 GGADMN CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000175846165 1427928187 /nfs/dbraw/zinc/92/81/87/1427928187.db2.gz HMDOKRKJZOVZFP-JXFKEZNVSA-N 0 1 386.517 3.221 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000175852921 1427933478 /nfs/dbraw/zinc/93/34/78/1427933478.db2.gz RBDFTANJYYSSPQ-SFHVURJKSA-N 0 1 386.496 3.075 20 0 GGADMN C/C(=C\C(=O)N1CCN(C2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000175853271 1427934018 /nfs/dbraw/zinc/93/40/18/1427934018.db2.gz WBLJKVUWPQBQBS-CCEZHUSRSA-N 0 1 382.426 3.432 20 0 GGADMN C[C@@H]1CN(C(=O)CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)C[C@H](C)O1 ZINC000175858465 1427936279 /nfs/dbraw/zinc/93/62/79/1427936279.db2.gz YAPVKTQVWAIYQH-XDNAFOTISA-N 0 1 380.554 3.052 20 0 GGADMN CCCCNC(=O)NC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175861821 1427938099 /nfs/dbraw/zinc/93/80/99/1427938099.db2.gz HGFLDUXCWPZPKM-CVEARBPZSA-N 0 1 381.542 3.042 20 0 GGADMN O=C(COc1ccc(Oc2ccccc2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175861762 1427938164 /nfs/dbraw/zinc/93/81/64/1427938164.db2.gz IGMRVYMAYFXXCW-UHFFFAOYSA-N 0 1 396.487 3.181 20 0 GGADMN O=C(CN1CCCCC[C@H]1C[C@H](O)c1cccs1)NC(=O)NC1CCCC1 ZINC000175862961 1427939017 /nfs/dbraw/zinc/93/90/17/1427939017.db2.gz BBMGKXYOLIOSGY-IRXDYDNUSA-N 0 1 393.553 3.185 20 0 GGADMN O=C(CN1CCCCC[C@H]1C[C@@H](O)c1cccs1)NC(=O)NC1CCCC1 ZINC000175862941 1427939405 /nfs/dbraw/zinc/93/94/05/1427939405.db2.gz BBMGKXYOLIOSGY-DLBZAZTESA-N 0 1 393.553 3.185 20 0 GGADMN C[C@@H](CNC(=O)N(CCO)[C@H]1CCc2ccccc21)N1CCc2ccccc2C1 ZINC000175869650 1427943204 /nfs/dbraw/zinc/94/32/04/1427943204.db2.gz GXKUACJFFLFCKR-MBSDFSHPSA-N 0 1 393.531 3.125 20 0 GGADMN C[C@H](CNC(=O)N(CCO)[C@@H]1CCc2ccccc21)N1CCc2ccccc2C1 ZINC000175869637 1427943460 /nfs/dbraw/zinc/94/34/60/1427943460.db2.gz GXKUACJFFLFCKR-WZONZLPQSA-N 0 1 393.531 3.125 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ncccc3OCC(F)(F)F)n2)cc1 ZINC000175887808 1427952329 /nfs/dbraw/zinc/95/23/29/1427952329.db2.gz VZBAOUZLVKZKES-UHFFFAOYSA-N 0 1 377.326 3.369 20 0 GGADMN O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175888964 1427953175 /nfs/dbraw/zinc/95/31/75/1427953175.db2.gz LSSUEUKRCNYXCX-PGRDOPGGSA-N 0 1 397.494 3.279 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000175888945 1427953223 /nfs/dbraw/zinc/95/32/23/1427953223.db2.gz LSSUEUKRCNYXCX-AVRDEDQJSA-N 0 1 397.494 3.279 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)N2CCCC2)o1 ZINC000175895674 1427956334 /nfs/dbraw/zinc/95/63/34/1427956334.db2.gz CTAPYBZPWRAHOB-CHAGWJKLSA-N 0 1 393.484 3.423 20 0 GGADMN CC(C)[C@@H](CNC(=O)N[C@H](C)c1c(F)cccc1Cl)N1CCN(C)CC1 ZINC000175916693 1427970186 /nfs/dbraw/zinc/97/01/86/1427970186.db2.gz FCCJDLSAMBOADX-RHSMWYFYSA-N 0 1 384.927 3.111 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2cnn(Cc3ccccn3)c2)N2CCCC2)o1 ZINC000175918007 1427971081 /nfs/dbraw/zinc/97/10/81/1427971081.db2.gz FADUXLYYYGJBTP-IBGZPJMESA-N 0 1 394.479 3.186 20 0 GGADMN NC(=O)c1cccc(OCCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000175919939 1427972541 /nfs/dbraw/zinc/97/25/41/1427972541.db2.gz AZUFWZWUNCPACF-UHFFFAOYSA-N 0 1 378.432 3.337 20 0 GGADMN C[C@@H](Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662662 1427977092 /nfs/dbraw/zinc/97/70/92/1427977092.db2.gz PALBDODFYPMYON-HZPDHXFCSA-N 0 1 378.480 3.433 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736321352 1427978443 /nfs/dbraw/zinc/97/84/43/1427978443.db2.gz CHPJGZDNFGYHQC-LBPRGKRZSA-N 0 1 376.530 3.256 20 0 GGADMN CC[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736321352 1427978448 /nfs/dbraw/zinc/97/84/48/1427978448.db2.gz CHPJGZDNFGYHQC-LBPRGKRZSA-N 0 1 376.530 3.256 20 0 GGADMN CC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736321352 1427978451 /nfs/dbraw/zinc/97/84/51/1427978451.db2.gz CHPJGZDNFGYHQC-LBPRGKRZSA-N 0 1 376.530 3.256 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1 ZINC000175927612 1427978776 /nfs/dbraw/zinc/97/87/76/1427978776.db2.gz NUBDHMKNBNEJJF-PPHZAIPVSA-N 0 1 391.512 3.007 20 0 GGADMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000175934349 1427982692 /nfs/dbraw/zinc/98/26/92/1427982692.db2.gz JGFKZWDKRURJHW-CQSZACIVSA-N 0 1 395.488 3.335 20 0 GGADMN COc1ccccc1C[C@H](C)CC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000175936515 1427983237 /nfs/dbraw/zinc/98/32/37/1427983237.db2.gz FUIZRSMCKQNGJJ-RBUKOAKNSA-N 0 1 388.552 3.414 20 0 GGADMN CN(CCNC(=O)N1CC=C(c2ccc(O)cc2)CC1)Cc1ccc(F)cc1 ZINC000175950526 1427992372 /nfs/dbraw/zinc/99/23/72/1427992372.db2.gz CDMCKQPLCYQVKD-UHFFFAOYSA-N 0 1 383.467 3.462 20 0 GGADMN O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000891468823 1427999860 /nfs/dbraw/zinc/99/98/60/1427999860.db2.gz XCUQVJFWGMVIQB-UHFFFAOYSA-N 0 1 380.427 3.244 20 0 GGADMN Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826307345 1428004731 /nfs/dbraw/zinc/00/47/31/1428004731.db2.gz DSFCXYAHNYPEGO-KRWDZBQOSA-N 0 1 376.508 3.490 20 0 GGADMN Cc1cccc2nc(CCC(=O)N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)[nH]c21 ZINC000175979259 1428009850 /nfs/dbraw/zinc/00/98/50/1428009850.db2.gz FTIHMZKIHDFGRM-INIZCTEOSA-N 0 1 384.524 3.203 20 0 GGADMN Cc1nc(C(=O)NCCCCCCC(C)C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000175982375 1428011682 /nfs/dbraw/zinc/01/16/82/1428011682.db2.gz WOIJTKHCBAOLDD-UHFFFAOYSA-N 0 1 387.410 3.049 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)C1 ZINC000175982656 1428012613 /nfs/dbraw/zinc/01/26/13/1428012613.db2.gz UNCLNKPGHJZQOQ-QUCCMNQESA-N 0 1 389.540 3.290 20 0 GGADMN CCC[NH+](CCC)CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821100199 1428024362 /nfs/dbraw/zinc/02/43/62/1428024362.db2.gz VUCWMHBVJSGBLY-UHFFFAOYSA-N 0 1 379.896 3.154 20 0 GGADMN CCN(CC)[C@H](CNC(=O)N(CCO)[C@H]1CCc2ccccc21)c1ccco1 ZINC000176013335 1428027637 /nfs/dbraw/zinc/02/76/37/1428027637.db2.gz XDAPYZJFHKSYQH-VQTJNVASSA-N 0 1 385.508 3.354 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000176020731 1428031145 /nfs/dbraw/zinc/03/11/45/1428031145.db2.gz GYRNYLAFKMCUNS-CQSZACIVSA-N 0 1 386.927 3.131 20 0 GGADMN O=c1cc(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]c2ccnn21 ZINC000176027436 1428034802 /nfs/dbraw/zinc/03/48/02/1428034802.db2.gz PXJQPSLPMCKHKB-CQSZACIVSA-N 0 1 393.274 3.373 20 0 GGADMN O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1CN1CCC(O)CC1 ZINC000176037335 1428039964 /nfs/dbraw/zinc/03/99/64/1428039964.db2.gz CLJDFARABFJZBA-UHFFFAOYSA-N 0 1 398.478 3.062 20 0 GGADMN COc1ccc([C@@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C2CC2)cc1 ZINC000176039066 1428040988 /nfs/dbraw/zinc/04/09/88/1428040988.db2.gz OGDVDBZYVGDGQB-FQEVSTJZSA-N 0 1 396.491 3.129 20 0 GGADMN CN(C)C(=O)c1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1F ZINC000176041179 1428043358 /nfs/dbraw/zinc/04/33/58/1428043358.db2.gz HITFOBJPFKKTLT-QGZVFWFLSA-N 0 1 388.443 3.079 20 0 GGADMN CC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1cc(F)ccc1F ZINC000176045763 1428047784 /nfs/dbraw/zinc/04/77/84/1428047784.db2.gz IGLAGLPNDKNQGA-KRWDZBQOSA-N 0 1 390.434 3.398 20 0 GGADMN CC(C)c1ccc(OCCNC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1 ZINC000176047172 1428048392 /nfs/dbraw/zinc/04/83/92/1428048392.db2.gz HPJSUJHVFJOURX-UHFFFAOYSA-N 0 1 398.507 3.171 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1cccc2ccccc21 ZINC000176050884 1428050511 /nfs/dbraw/zinc/05/05/11/1428050511.db2.gz AFDQXJWCNQWCHA-UHFFFAOYSA-N 0 1 376.460 3.322 20 0 GGADMN CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176055099 1428054402 /nfs/dbraw/zinc/05/44/02/1428054402.db2.gz JOUNPQMJWZMHPL-IBGZPJMESA-N 0 1 382.508 3.380 20 0 GGADMN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(F)cc1F ZINC000176056018 1428055290 /nfs/dbraw/zinc/05/52/90/1428055290.db2.gz IGQMLYDHVNIUON-LLVKDONJSA-N 0 1 376.407 3.008 20 0 GGADMN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176059934 1428058929 /nfs/dbraw/zinc/05/89/29/1428058929.db2.gz MLACRNZLQABCQO-KXBFYZLASA-N 0 1 380.492 3.257 20 0 GGADMN C[C@@H](OCCCNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccccc1 ZINC000176061459 1428059721 /nfs/dbraw/zinc/05/97/21/1428059721.db2.gz JGGSUSJLFDKAHU-MRXNPFEDSA-N 0 1 398.507 3.137 20 0 GGADMN Clc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826353585 1428067608 /nfs/dbraw/zinc/06/76/08/1428067608.db2.gz WCVVRTUPHUCWEJ-UHFFFAOYSA-N 0 1 384.871 3.395 20 0 GGADMN O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176074343 1428068897 /nfs/dbraw/zinc/06/88/97/1428068897.db2.gz FIBOMRZRUPSSRS-FQEVSTJZSA-N 0 1 395.503 3.343 20 0 GGADMN CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000176078635 1428071005 /nfs/dbraw/zinc/07/10/05/1428071005.db2.gz KSGJHAVDIQSGBH-SJLPKXTDSA-N 0 1 399.457 3.348 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N[C@@H]1CCCC[C@@H]1CO ZINC000176078718 1428071207 /nfs/dbraw/zinc/07/12/07/1428071207.db2.gz OTDQUFJWMIXLNS-KBAYOESNSA-N 0 1 399.457 3.130 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N(CCO)[C@@H]2CCc3ccccc32)N2CCCC2)o1 ZINC000176079792 1428071226 /nfs/dbraw/zinc/07/12/26/1428071226.db2.gz QCWASFWENHTANL-NHCUHLMSSA-N 0 1 397.519 3.416 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000826170324 1428072727 /nfs/dbraw/zinc/07/27/27/1428072727.db2.gz WTFXRWSOHDVWEJ-HXUWFJFHSA-N 0 1 379.464 3.133 20 0 GGADMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000176090114 1428076926 /nfs/dbraw/zinc/07/69/26/1428076926.db2.gz RAEISTQEMJCDGG-QGZVFWFLSA-N 0 1 388.899 3.283 20 0 GGADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccc(F)cc1Br ZINC000176098452 1428081869 /nfs/dbraw/zinc/08/18/69/1428081869.db2.gz OAPWOYSAXOOPND-UHFFFAOYSA-N 0 1 394.316 3.137 20 0 GGADMN COc1ccccc1[C@H]1CCN(c2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826219199 1428085446 /nfs/dbraw/zinc/08/54/46/1428085446.db2.gz VQEWDXDTLXGPGN-HNNXBMFYSA-N 0 1 376.464 3.143 20 0 GGADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC000176120715 1428094888 /nfs/dbraw/zinc/09/48/88/1428094888.db2.gz FISSZJLCFNWCIA-UHFFFAOYSA-N 0 1 395.843 3.079 20 0 GGADMN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)o1 ZINC000176121607 1428096146 /nfs/dbraw/zinc/09/61/46/1428096146.db2.gz NDFDWZMAUSQNFZ-UHFFFAOYSA-N 0 1 388.399 3.250 20 0 GGADMN CC(C)c1ccc(N2CC[C@H](C(=O)NCc3nc4ccc(F)cc4[nH]3)C2=O)cc1 ZINC000176123360 1428097425 /nfs/dbraw/zinc/09/74/25/1428097425.db2.gz WUHTTWZFHUTKIP-QGZVFWFLSA-N 0 1 394.450 3.495 20 0 GGADMN Cc1c(F)cccc1NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176128014 1428100638 /nfs/dbraw/zinc/10/06/38/1428100638.db2.gz GXLOLOQCQGTFBG-GOSISDBHSA-N 0 1 383.467 3.196 20 0 GGADMN Cc1c(F)cccc1NC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176128027 1428101008 /nfs/dbraw/zinc/10/10/08/1428101008.db2.gz GXLOLOQCQGTFBG-SFHVURJKSA-N 0 1 383.467 3.196 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCN(c2nc3ccccc3o2)[C@H](C)C1 ZINC000736199481 1428101109 /nfs/dbraw/zinc/10/11/09/1428101109.db2.gz POMMVUDCFFGLLB-HUUCEWRRSA-N 0 1 389.463 3.280 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176127907 1428101135 /nfs/dbraw/zinc/10/11/35/1428101135.db2.gz YEWQVEHFKYKWRF-FQEVSTJZSA-N 0 1 390.487 3.229 20 0 GGADMN CSc1cccc(NC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000176129268 1428101800 /nfs/dbraw/zinc/10/18/00/1428101800.db2.gz VAAFSVKDXSUFDL-IBGZPJMESA-N 0 1 397.544 3.470 20 0 GGADMN COc1ccc(C)cc1NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176129128 1428102292 /nfs/dbraw/zinc/10/22/92/1428102292.db2.gz DTNYQTCDDXFTGU-LJQANCHMSA-N 0 1 395.503 3.065 20 0 GGADMN CCN(Cc1cccc(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825435194 1428102760 /nfs/dbraw/zinc/10/27/60/1428102760.db2.gz PAKBJVKGHJDLBV-ZDUSSCGKSA-N 0 1 384.871 3.369 20 0 GGADMN CC[N@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825435194 1428102764 /nfs/dbraw/zinc/10/27/64/1428102764.db2.gz PAKBJVKGHJDLBV-ZDUSSCGKSA-N 0 1 384.871 3.369 20 0 GGADMN CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825435194 1428102768 /nfs/dbraw/zinc/10/27/68/1428102768.db2.gz PAKBJVKGHJDLBV-ZDUSSCGKSA-N 0 1 384.871 3.369 20 0 GGADMN CN(C(=O)C(=O)Nc1c(F)cccc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176129683 1428103379 /nfs/dbraw/zinc/10/33/79/1428103379.db2.gz ARXNARZAXYHFNC-INIZCTEOSA-N 0 1 387.430 3.026 20 0 GGADMN COc1ccc([C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)o2)c2ccc(F)cc2)cc1 ZINC000821777598 1428111862 /nfs/dbraw/zinc/11/18/62/1428111862.db2.gz JGPIJMLIVWZHFU-LJQANCHMSA-N 0 1 379.395 3.487 20 0 GGADMN Cc1cccc(N2C[C@@H](C(=O)NCCc3nc4ccc(F)cc4[nH]3)CC2=O)c1C ZINC000176140195 1428113604 /nfs/dbraw/zinc/11/36/04/1428113604.db2.gz OYGHWZQXAFBWHD-HNNXBMFYSA-N 0 1 394.450 3.031 20 0 GGADMN Cn1c(=O)c2ccc(C(=O)N[C@H](C3CCCC3)C(F)(F)F)cc2[nH]c1=S ZINC000176143874 1428116234 /nfs/dbraw/zinc/11/62/34/1428116234.db2.gz ZESUMDXSGCIUSM-CYBMUJFWSA-N 0 1 385.411 3.073 20 0 GGADMN CC(=O)CCc1ccc(OCCC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000176147087 1428118121 /nfs/dbraw/zinc/11/81/21/1428118121.db2.gz VFMDQFUCDZXJEL-UHFFFAOYSA-N 0 1 397.450 3.351 20 0 GGADMN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000176149825 1428120012 /nfs/dbraw/zinc/12/00/12/1428120012.db2.gz OLQZUWHDMAKZIR-CQSZACIVSA-N 0 1 390.459 3.150 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)[NH+]2CCCC2)cc1 ZINC000176151019 1428121204 /nfs/dbraw/zinc/12/12/04/1428121204.db2.gz BXJHZCZHUVGKRD-GOSISDBHSA-N 0 1 396.535 3.251 20 0 GGADMN O=C(N[C@H](Cc1ccccc1)c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000176161732 1428128179 /nfs/dbraw/zinc/12/81/79/1428128179.db2.gz HRYPRVLFHCKNGY-HSZRJFAPSA-N 0 1 393.531 3.477 20 0 GGADMN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825413088 1428133797 /nfs/dbraw/zinc/13/37/97/1428133797.db2.gz XOTHNRNQWORDFX-UHFFFAOYSA-N 0 1 392.507 3.159 20 0 GGADMN Cc1ccc(-c2cc(C(=O)OC[C@@H]3CC(=O)N(CCc4ccccc4)C3)[nH]n2)o1 ZINC000176173537 1428138758 /nfs/dbraw/zinc/13/87/58/1428138758.db2.gz ANKZWMFQNGAWDQ-QGZVFWFLSA-N 0 1 393.443 3.226 20 0 GGADMN Cc1ccc(-c2cc(C(=O)OC[C@H]3CC(=O)N(CCc4ccccc4)C3)[nH]n2)o1 ZINC000176173548 1428138870 /nfs/dbraw/zinc/13/88/70/1428138870.db2.gz ANKZWMFQNGAWDQ-KRWDZBQOSA-N 0 1 393.443 3.226 20 0 GGADMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCN(C2CCOCC2)CC1 ZINC000176178726 1428143291 /nfs/dbraw/zinc/14/32/91/1428143291.db2.gz WNKMOPWFDCQJRA-QGZVFWFLSA-N 0 1 395.956 3.383 20 0 GGADMN CCc1cc(C(=O)N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000176184063 1428147299 /nfs/dbraw/zinc/14/72/99/1428147299.db2.gz JUHDNHMCKODQSF-UHFFFAOYSA-N 0 1 376.501 3.224 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CCOc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000823674917 1428167228 /nfs/dbraw/zinc/16/72/28/1428167228.db2.gz TZUKCVRFUNXMMW-MJGOQNOKSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@@H+]1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000823674917 1428167230 /nfs/dbraw/zinc/16/72/30/1428167230.db2.gz TZUKCVRFUNXMMW-MJGOQNOKSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@H]1CCCCC[N@H+]1CCOc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000823674917 1428167231 /nfs/dbraw/zinc/16/72/31/1428167231.db2.gz TZUKCVRFUNXMMW-MJGOQNOKSA-N 0 1 397.479 3.207 20 0 GGADMN C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820427558 1428169616 /nfs/dbraw/zinc/16/96/16/1428169616.db2.gz SXFZGTWDVPCYPG-GFCCVEGCSA-N 0 1 395.854 3.463 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1-c1nnn[n-]1 ZINC000826194647 1428171700 /nfs/dbraw/zinc/17/17/00/1428171700.db2.gz RQBMQFYWGGTRLY-LJQANCHMSA-N 0 1 378.480 3.278 20 0 GGADMN CC(C)[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000176230486 1428180559 /nfs/dbraw/zinc/18/05/59/1428180559.db2.gz CDFLVSZVBQFTNB-APWZRJJASA-N 0 1 379.932 3.401 20 0 GGADMN CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825060126 1428181536 /nfs/dbraw/zinc/18/15/36/1428181536.db2.gz NSFZOLIDSYPADS-NWDGAFQWSA-N 0 1 376.530 3.160 20 0 GGADMN O=C(NCc1cccc(Oc2ccccc2)c1)N1CCN(C2CCOCC2)CC1 ZINC000176234090 1428182651 /nfs/dbraw/zinc/18/26/51/1428182651.db2.gz HLIZJCKXLJRNMI-UHFFFAOYSA-N 0 1 395.503 3.485 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCS[C@H]2CCCC[C@H]21 ZINC000176236746 1428184280 /nfs/dbraw/zinc/18/42/80/1428184280.db2.gz BOEWZOAIHOCJRT-CVEARBPZSA-N 0 1 389.546 3.336 20 0 GGADMN O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCN(C2CCOCC2)CC1 ZINC000176237130 1428184388 /nfs/dbraw/zinc/18/43/88/1428184388.db2.gz FVSRJCZONWSWMQ-QFIPXVFZSA-N 0 1 397.494 3.421 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCN(C)CC12CCCCC2)c1ccc(F)cc1F ZINC000176238489 1428185810 /nfs/dbraw/zinc/18/58/10/1428185810.db2.gz MAUDMLRANOGFHP-IBGZPJMESA-N 0 1 393.478 3.009 20 0 GGADMN CCCc1nc(C(=O)N2CCN(C)CC23CCCCC3)nn1-c1ccccc1F ZINC000176240526 1428187462 /nfs/dbraw/zinc/18/74/62/1428187462.db2.gz BIUBFRXBDXRNFO-UHFFFAOYSA-N 0 1 399.514 3.449 20 0 GGADMN CC(C)=CC(=O)NCc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cc1 ZINC000176240659 1428187967 /nfs/dbraw/zinc/18/79/67/1428187967.db2.gz AJPRYZAGZKMKFF-UHFFFAOYSA-N 0 1 383.536 3.360 20 0 GGADMN O=C(N[C@@H](Cc1ccccc1)c1cccs1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176243519 1428189994 /nfs/dbraw/zinc/18/99/94/1428189994.db2.gz VHXUQQVOGTYRNJ-UXHICEINSA-N 0 1 399.560 3.396 20 0 GGADMN O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000823488682 1428192204 /nfs/dbraw/zinc/19/22/04/1428192204.db2.gz SCAOPMJTLKPTAH-CQSZACIVSA-N 0 1 383.402 3.240 20 0 GGADMN O=C(CN1C[C@@H]2CCC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000176261799 1428204648 /nfs/dbraw/zinc/20/46/48/1428204648.db2.gz HLHKNGQUUIAPRL-GASCZTMLSA-N 0 1 397.441 3.212 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737333450 1429786602 /nfs/dbraw/zinc/78/66/02/1429786602.db2.gz BOZFWGAJOAGXRB-MRXNPFEDSA-N 0 1 396.520 3.272 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737333450 1429786606 /nfs/dbraw/zinc/78/66/06/1429786606.db2.gz BOZFWGAJOAGXRB-MRXNPFEDSA-N 0 1 396.520 3.272 20 0 GGADMN Cc1ccc(C[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000737333450 1429786614 /nfs/dbraw/zinc/78/66/14/1429786614.db2.gz BOZFWGAJOAGXRB-MRXNPFEDSA-N 0 1 396.520 3.272 20 0 GGADMN COc1ccc([C@@H]2CC[N@@H+](CCSC)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC000180183048 1429788462 /nfs/dbraw/zinc/78/84/62/1429788462.db2.gz XPAQEVOTCGVOFS-JSGCOSHPSA-N 0 1 394.434 3.034 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@H]1CCc2c1cccc2Br ZINC000180192100 1429793481 /nfs/dbraw/zinc/79/34/81/1429793481.db2.gz IVJBHTRUEUUUPY-GJZGRUSLSA-N 0 1 387.343 3.168 20 0 GGADMN COc1ccc(-n2nc(C(=O)NCc3nc4ccc(C)cc4[nH]3)cc2C)cc1 ZINC000180195369 1429797005 /nfs/dbraw/zinc/79/70/05/1429797005.db2.gz VDCLFVUKRVPNID-UHFFFAOYSA-N 0 1 375.432 3.304 20 0 GGADMN CC(C)(O)CN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1 ZINC000180211386 1429803120 /nfs/dbraw/zinc/80/31/20/1429803120.db2.gz IWSQEYJIYMRUGX-UHFFFAOYSA-N 0 1 395.503 3.025 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN(Cc2ccccc2)CC(C)(C)O)c(C)c1 ZINC000180213182 1429803760 /nfs/dbraw/zinc/80/37/60/1429803760.db2.gz AWVNJGVBKZZHKF-UHFFFAOYSA-N 0 1 383.492 3.225 20 0 GGADMN COc1cc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC(F)F ZINC000180216123 1429804438 /nfs/dbraw/zinc/80/44/38/1429804438.db2.gz VJPHNLMKMOGDHU-LBPRGKRZSA-N 0 1 398.356 3.470 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CN[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000180217541 1429804823 /nfs/dbraw/zinc/80/48/23/1429804823.db2.gz HHWGEVZYUSKDIB-MRXNPFEDSA-N 0 1 382.414 3.354 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CN[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000180217557 1429805005 /nfs/dbraw/zinc/80/50/05/1429805005.db2.gz HHWGEVZYUSKDIB-INIZCTEOSA-N 0 1 382.414 3.354 20 0 GGADMN CCN(CC)c1ncc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)s1 ZINC000180220256 1429805625 /nfs/dbraw/zinc/80/56/25/1429805625.db2.gz LMKSCURVIHSSBB-LBPRGKRZSA-N 0 1 380.464 3.163 20 0 GGADMN C[N@@H+](CCn1cccn1)Cc1cc(Br)cc(Br)c1[O-] ZINC000180222096 1429806061 /nfs/dbraw/zinc/80/60/61/1429806061.db2.gz GSERADQIKDWECZ-UHFFFAOYSA-N 0 1 389.091 3.246 20 0 GGADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000180222812 1429806612 /nfs/dbraw/zinc/80/66/12/1429806612.db2.gz OSQLRQGSSRGDBJ-UHFFFAOYSA-N 0 1 390.392 3.458 20 0 GGADMN COc1ccc([C@H](C)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000180224165 1429806942 /nfs/dbraw/zinc/80/69/42/1429806942.db2.gz MRQAFPSYHOQVIK-XXBNENTESA-N 0 1 393.531 3.222 20 0 GGADMN CC(C)(O)CN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1 ZINC000180224859 1429807010 /nfs/dbraw/zinc/80/70/10/1429807010.db2.gz INYRRGXNHLDOIJ-UHFFFAOYSA-N 0 1 397.544 3.228 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)Nc3ccc4c(c3)N(C)CC4)CC2)cc1 ZINC000180227695 1429808133 /nfs/dbraw/zinc/80/81/33/1429808133.db2.gz HKZRTCXKAWOYAY-UHFFFAOYSA-N 0 1 394.519 3.427 20 0 GGADMN C[C@@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824948697 1429811457 /nfs/dbraw/zinc/81/14/57/1429811457.db2.gz VAJADYTYGZTUKS-IUODEOHRSA-N 0 1 392.529 3.053 20 0 GGADMN OCCOCCCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000180244041 1429813387 /nfs/dbraw/zinc/81/33/87/1429813387.db2.gz FFDSYIQMRDNYHQ-HXUWFJFHSA-N 0 1 377.868 3.189 20 0 GGADMN CCOCc1cc(CN2CCCN(c3nc(CC)ns3)CC2)ccc1OC ZINC000180249498 1429814729 /nfs/dbraw/zinc/81/47/29/1429814729.db2.gz GLQVWXOFDTUAHI-UHFFFAOYSA-N 0 1 390.553 3.358 20 0 GGADMN O=C(CN[C@@H](CCCO)c1ccccc1)Nc1ccc(N2CCCCC2)nc1 ZINC000180257991 1429817178 /nfs/dbraw/zinc/81/71/78/1429817178.db2.gz UETVFZLGYCKLMT-FQEVSTJZSA-N 0 1 382.508 3.114 20 0 GGADMN COc1ccc(CN(C(=O)CCc2nc[nH]n2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000180272173 1429820902 /nfs/dbraw/zinc/82/09/02/1429820902.db2.gz YINBEANCPJXGPO-NVXWUHKLSA-N 0 1 386.496 3.362 20 0 GGADMN Cc1cccc2c(CC(=O)N3CCC(CCCN4CCOCC4)CC3)c[nH]c21 ZINC000180285858 1429824987 /nfs/dbraw/zinc/82/49/87/1429824987.db2.gz KEJSRLYWAPQXNA-UHFFFAOYSA-N 0 1 383.536 3.370 20 0 GGADMN O=C(CCCOc1ccccc1F)N1CCC(CCCN2CCOCC2)CC1 ZINC000180286513 1429825027 /nfs/dbraw/zinc/82/50/27/1429825027.db2.gz MBTMUMBLMHDPCK-UHFFFAOYSA-N 0 1 392.515 3.336 20 0 GGADMN O=C([C@@H]1SCCc2sccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180289291 1429826111 /nfs/dbraw/zinc/82/61/11/1429826111.db2.gz RGJXKBQZJBESBY-LJQANCHMSA-N 0 1 394.606 3.430 20 0 GGADMN CCN(CC)[C@H](C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000180290148 1429826262 /nfs/dbraw/zinc/82/62/62/1429826262.db2.gz FPKMMVBAAUYCKZ-OFNKIYASSA-N 0 1 393.531 3.234 20 0 GGADMN CCN(CC)[C@@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000180290129 1429826438 /nfs/dbraw/zinc/82/64/38/1429826438.db2.gz FPKMMVBAAUYCKZ-NZQKXSOJSA-N 0 1 393.531 3.234 20 0 GGADMN O=C(CCn1ccc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180290844 1429826589 /nfs/dbraw/zinc/82/65/89/1429826589.db2.gz SCPAHWIZZLQOPI-UHFFFAOYSA-N 0 1 383.536 3.382 20 0 GGADMN O=C(c1cccc(-n2cccc2)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180291866 1429827090 /nfs/dbraw/zinc/82/70/90/1429827090.db2.gz LMZMDAZERAXYLU-UHFFFAOYSA-N 0 1 381.520 3.442 20 0 GGADMN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180293535 1429827469 /nfs/dbraw/zinc/82/74/69/1429827469.db2.gz YBKNYRWRROAIBO-FQEVSTJZSA-N 0 1 392.515 3.334 20 0 GGADMN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180293551 1429827496 /nfs/dbraw/zinc/82/74/96/1429827496.db2.gz YBKNYRWRROAIBO-HXUWFJFHSA-N 0 1 392.515 3.334 20 0 GGADMN C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1nnc[nH]1 ZINC000180295796 1429828109 /nfs/dbraw/zinc/82/81/09/1429828109.db2.gz COMBGOUSKVFPGE-LLVKDONJSA-N 0 1 390.875 3.403 20 0 GGADMN COc1ccc(CCC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1F ZINC000180296158 1429828123 /nfs/dbraw/zinc/82/81/23/1429828123.db2.gz VBRXGFFGTXLOTN-UHFFFAOYSA-N 0 1 392.515 3.118 20 0 GGADMN C[C@H](C(=O)N1CCC(CCCN2CCOCC2)CC1)c1c(F)cccc1F ZINC000180300099 1429829450 /nfs/dbraw/zinc/82/94/50/1429829450.db2.gz UKFHUSVNXXLYNH-INIZCTEOSA-N 0 1 380.479 3.419 20 0 GGADMN C[C@@H](NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)N1CCCCC1 ZINC000180300135 1429829462 /nfs/dbraw/zinc/82/94/62/1429829462.db2.gz ATQRPADKMZNOKV-IERDGZPVSA-N 0 1 389.515 3.164 20 0 GGADMN O=C([C@@H]1SCCc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000180301297 1429829845 /nfs/dbraw/zinc/82/98/45/1429829845.db2.gz WGDUBTWQCGEMFK-OAQYLSRUSA-N 0 1 388.577 3.368 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1 ZINC000180300799 1429829948 /nfs/dbraw/zinc/82/99/48/1429829948.db2.gz CVOVQIIFIDCNRZ-VXKWHMMOSA-N 0 1 397.494 3.250 20 0 GGADMN COc1c(C)cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1C ZINC000180304162 1429830781 /nfs/dbraw/zinc/83/07/81/1429830781.db2.gz BMOSILWTRKJQER-UHFFFAOYSA-N 0 1 397.519 3.191 20 0 GGADMN CCc1c(C(=O)N2CCC(CCCN3CCOCC3)CC2)cnn1CC(C)C ZINC000180304414 1429830982 /nfs/dbraw/zinc/83/09/82/1429830982.db2.gz KHHBJCOVEMYLPR-UHFFFAOYSA-N 0 1 390.572 3.066 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000180304662 1429831065 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3.140 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCCOCC2)CC1 ZINC000180385663 1429853062 /nfs/dbraw/zinc/85/30/62/1429853062.db2.gz MDQICXJXRHPSCY-INIZCTEOSA-N 0 1 380.920 3.173 20 0 GGADMN O=S(=O)(Cc1noc2ccccc21)NC[C@H](c1ccccc1)N1CCCC1 ZINC000180389401 1429853940 /nfs/dbraw/zinc/85/39/40/1429853940.db2.gz BIRABTOJOJBKTL-LJQANCHMSA-N 0 1 385.489 3.084 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)CCc3ccc4[nH]ccc4c3)n2)cc1 ZINC000180391303 1429854503 /nfs/dbraw/zinc/85/45/03/1429854503.db2.gz JPKOOPVEUZSDTE-UHFFFAOYSA-N 0 1 375.432 3.211 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)CCc3ccc4[nH]ccc4c3)n[nH]2)cc1 ZINC000180391303 1429854507 /nfs/dbraw/zinc/85/45/07/1429854507.db2.gz JPKOOPVEUZSDTE-UHFFFAOYSA-N 0 1 375.432 3.211 20 0 GGADMN CC(C)(O)CN(Cc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000180421191 1429864460 /nfs/dbraw/zinc/86/44/60/1429864460.db2.gz XPJAGYCVQXNASO-UHFFFAOYSA-N 0 1 396.535 3.029 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NCCN2CCc3ccccc3C2)cc1OC ZINC000180422600 1429865136 /nfs/dbraw/zinc/86/51/36/1429865136.db2.gz MIGYDUISHULKAF-KRWDZBQOSA-N 0 1 382.504 3.057 20 0 GGADMN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826341382 1429865477 /nfs/dbraw/zinc/86/54/77/1429865477.db2.gz GIABMJISFMXPOK-VHSXEESVSA-N 0 1 390.394 3.033 20 0 GGADMN COc1ccc(C(=O)NCCN[C@H](C)c2cc(Cl)c(OC)cc2OC)cc1 ZINC000180424634 1429865803 /nfs/dbraw/zinc/86/58/03/1429865803.db2.gz NHIWPVWEQAEAKG-CYBMUJFWSA-N 0 1 392.883 3.446 20 0 GGADMN Cc1cc(Br)cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000180433547 1429868201 /nfs/dbraw/zinc/86/82/01/1429868201.db2.gz BDAFOXRARIAWIN-GJZGRUSLSA-N 0 1 390.343 3.251 20 0 GGADMN N#Cc1cccc(C(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)c1 ZINC000180438993 1429869909 /nfs/dbraw/zinc/86/99/09/1429869909.db2.gz UEPYBPFJFDJXQH-UHFFFAOYSA-N 0 1 397.232 3.387 20 0 GGADMN N#Cc1cccc(C(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)c1 ZINC000180438993 1429869912 /nfs/dbraw/zinc/86/99/12/1429869912.db2.gz UEPYBPFJFDJXQH-UHFFFAOYSA-N 0 1 397.232 3.387 20 0 GGADMN CC(C)(C)OC(=O)N1CCN(CCN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180442970 1429870515 /nfs/dbraw/zinc/87/05/15/1429870515.db2.gz KLASJVPHDXYBDL-NRFANRHFSA-N 0 1 396.535 3.313 20 0 GGADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCS[C@H]2COCC[C@@H]21 ZINC000180457530 1429873992 /nfs/dbraw/zinc/87/39/92/1429873992.db2.gz XBRNMEVOFSJWAY-OALUTQOASA-N 0 1 379.476 3.474 20 0 GGADMN COc1ccc(-c2n[nH]c(CNC(=O)NCC3(C)Cc4ccccc4C3)n2)cc1 ZINC000180462762 1429875004 /nfs/dbraw/zinc/87/50/04/1429875004.db2.gz UFEXNXAVGJRRLE-UHFFFAOYSA-N 0 1 391.475 3.085 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)NCC3(C)Cc4ccccc4C3)n[nH]2)cc1 ZINC000180462762 1429875005 /nfs/dbraw/zinc/87/50/05/1429875005.db2.gz UFEXNXAVGJRRLE-UHFFFAOYSA-N 0 1 391.475 3.085 20 0 GGADMN c1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826523926 1429875146 /nfs/dbraw/zinc/87/51/46/1429875146.db2.gz BYMCCSSOMQIPMZ-QGZVFWFLSA-N 0 1 398.474 3.134 20 0 GGADMN c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826523926 1429875153 /nfs/dbraw/zinc/87/51/53/1429875153.db2.gz BYMCCSSOMQIPMZ-QGZVFWFLSA-N 0 1 398.474 3.134 20 0 GGADMN c1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826523926 1429875160 /nfs/dbraw/zinc/87/51/60/1429875160.db2.gz BYMCCSSOMQIPMZ-QGZVFWFLSA-N 0 1 398.474 3.134 20 0 GGADMN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccccc1OCc1ccccc1 ZINC000180469751 1429876554 /nfs/dbraw/zinc/87/65/54/1429876554.db2.gz GHUTZYVGOHZPQP-KRWDZBQOSA-N 0 1 376.522 3.244 20 0 GGADMN CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCCCC1 ZINC000180469507 1429876622 /nfs/dbraw/zinc/87/66/22/1429876622.db2.gz JBBBGBKNLKLRBO-WCRBZPEASA-N 0 1 383.536 3.157 20 0 GGADMN COc1ccccc1-c1ccc([C@@H](C)NCCS(=O)(=O)NC(C)C)cc1 ZINC000180469974 1429876650 /nfs/dbraw/zinc/87/66/50/1429876650.db2.gz WCAIGQNTLKFLBH-MRXNPFEDSA-N 0 1 376.522 3.341 20 0 GGADMN COc1ccc(-c2nc(C)c([C@@H](C)NCCS(=O)(=O)NC(C)C)s2)cc1 ZINC000180476949 1429878731 /nfs/dbraw/zinc/87/87/31/1429878731.db2.gz CBIBYOBWLFIHLS-CYBMUJFWSA-N 0 1 397.566 3.106 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1OC ZINC000180484865 1429880242 /nfs/dbraw/zinc/88/02/42/1429880242.db2.gz FWOMTJQJDYKYMX-HOCLYGCPSA-N 0 1 376.522 3.363 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@H](c2cccs2)N(C)C)cc1OC ZINC000180484893 1429880349 /nfs/dbraw/zinc/88/03/49/1429880349.db2.gz FWOMTJQJDYKYMX-GOEBONIOSA-N 0 1 376.522 3.363 20 0 GGADMN c1ccc(COC2CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823787788 1429880574 /nfs/dbraw/zinc/88/05/74/1429880574.db2.gz QSVDETPJHPCQRP-UHFFFAOYSA-N 0 1 393.491 3.317 20 0 GGADMN COc1ccc(COC[C@@H](O)CN(C)Cc2cc(F)c(F)c(F)c2)cc1OC ZINC000180501524 1429883766 /nfs/dbraw/zinc/88/37/66/1429883766.db2.gz HARILUDGPOICRY-HNNXBMFYSA-N 0 1 399.409 3.131 20 0 GGADMN COc1ccc(CN(C(=O)CN2CCC[C@@H]2c2c(C)n[nH]c2C)C2CC2)cc1 ZINC000180508137 1429885400 /nfs/dbraw/zinc/88/54/00/1429885400.db2.gz UFFFTTYCNUGVMY-HXUWFJFHSA-N 0 1 382.508 3.363 20 0 GGADMN CCC(CC)n1nc(C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)cc1C ZINC000180510982 1429886241 /nfs/dbraw/zinc/88/62/41/1429886241.db2.gz OJXHDECIZFQDFZ-UHFFFAOYSA-N 0 1 382.468 3.276 20 0 GGADMN CCC(CC)n1nc(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)cc1C ZINC000180510982 1429886242 /nfs/dbraw/zinc/88/62/42/1429886242.db2.gz OJXHDECIZFQDFZ-UHFFFAOYSA-N 0 1 382.468 3.276 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N1CCc2ccccc2C1 ZINC000180525292 1429889716 /nfs/dbraw/zinc/88/97/16/1429889716.db2.gz GIGNHRRWFRVJLY-ZWKOTPCHSA-N 0 1 391.515 3.437 20 0 GGADMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000180526000 1429890032 /nfs/dbraw/zinc/89/00/32/1429890032.db2.gz LRHQXBOHVRWEEH-HZPDHXFCSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000180525960 1429890059 /nfs/dbraw/zinc/89/00/59/1429890059.db2.gz LRHQXBOHVRWEEH-CVEARBPZSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N1CCc2ccccc21 ZINC000180526299 1429890113 /nfs/dbraw/zinc/89/01/13/1429890113.db2.gz ZEDFBQQGTMXBRP-IRXDYDNUSA-N 0 1 377.488 3.442 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N1CCc2ccccc21 ZINC000180526361 1429890341 /nfs/dbraw/zinc/89/03/41/1429890341.db2.gz ZEDFBQQGTMXBRP-IAGOWNOFSA-N 0 1 377.488 3.442 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000180526496 1429890422 /nfs/dbraw/zinc/89/04/22/1429890422.db2.gz STBCBSVWKBQULJ-CVEARBPZSA-N 0 1 379.460 3.272 20 0 GGADMN C[C@@H](NCC(=O)N1CCc2sccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000180530098 1429890994 /nfs/dbraw/zinc/89/09/94/1429890994.db2.gz CECIXFROWQDRIB-OAHLLOKOSA-N 0 1 383.517 3.110 20 0 GGADMN CC(C)Cn1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cn1 ZINC000180536838 1429892767 /nfs/dbraw/zinc/89/27/67/1429892767.db2.gz RGEWPWWZPDMJRS-UHFFFAOYSA-N 0 1 375.904 3.197 20 0 GGADMN CN1CCN(c2cc(CNC(=O)c3ccnc(SC(C)(C)C)c3)ccn2)CC1 ZINC000180541611 1429893618 /nfs/dbraw/zinc/89/36/18/1429893618.db2.gz IOTGDKQPMMHWBZ-UHFFFAOYSA-N 0 1 399.564 3.049 20 0 GGADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCCC[C@@H]1CCO ZINC000180548885 1429895390 /nfs/dbraw/zinc/89/53/90/1429895390.db2.gz AQANMQTUWHIDCA-LJQANCHMSA-N 0 1 393.959 3.499 20 0 GGADMN CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1)c1nn[nH]n1 ZINC000180553618 1429896326 /nfs/dbraw/zinc/89/63/26/1429896326.db2.gz YIBQRZNTTQGHAR-CYBMUJFWSA-N 0 1 394.266 3.272 20 0 GGADMN COC(=O)c1oc([C@@H](C)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1C ZINC000180561119 1429898186 /nfs/dbraw/zinc/89/81/86/1429898186.db2.gz GVOIFVBRMMIGHP-MRXNPFEDSA-N 0 1 394.512 3.079 20 0 GGADMN Fc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)cc1OC(F)F)CC2 ZINC000826375771 1429898935 /nfs/dbraw/zinc/89/89/35/1429898935.db2.gz AXTYPLCICJEBFU-UHFFFAOYSA-N 0 1 375.354 3.166 20 0 GGADMN Clc1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000822573980 1429904005 /nfs/dbraw/zinc/90/40/05/1429904005.db2.gz MGCHLILGCMQVJJ-UHFFFAOYSA-N 0 1 380.839 3.237 20 0 GGADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000180577400 1429907193 /nfs/dbraw/zinc/90/71/93/1429907193.db2.gz AUPJTULZFOCPAX-RTBURBONSA-N 0 1 394.581 3.176 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1Br ZINC000180579223 1429908282 /nfs/dbraw/zinc/90/82/82/1429908282.db2.gz NDGKBGNAYBAGSK-UHFFFAOYSA-N 0 1 393.172 3.303 20 0 GGADMN Cn1cc([C@@H](NCCNc2nccc(C(F)(F)F)n2)c2cccc(F)c2)cn1 ZINC000180581285 1429911045 /nfs/dbraw/zinc/91/10/45/1429911045.db2.gz ZFRJPDAPBHPMAL-INIZCTEOSA-N 0 1 394.376 3.159 20 0 GGADMN COC[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000180584560 1429913388 /nfs/dbraw/zinc/91/33/88/1429913388.db2.gz MIBZOSWDKCEUHI-LJQANCHMSA-N 0 1 395.425 3.223 20 0 GGADMN CS[C@H](CO)[C@@H](C)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180591955 1429918186 /nfs/dbraw/zinc/91/81/86/1429918186.db2.gz YNAICNHLTVAADW-YSGRDPCXSA-N 0 1 393.574 3.190 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@H]1CCCOc2c(F)cccc21 ZINC000180592441 1429918630 /nfs/dbraw/zinc/91/86/30/1429918630.db2.gz WFMGHSWUACTXES-FQEVSTJZSA-N 0 1 398.482 3.398 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1OC ZINC000180596175 1429921253 /nfs/dbraw/zinc/92/12/53/1429921253.db2.gz LBUMPFXZRCQDRY-BEFAXECRSA-N 0 1 388.483 3.441 20 0 GGADMN CCN1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC(C)(C)c4ccccc43)C2)CC1 ZINC000180598661 1429923718 /nfs/dbraw/zinc/92/37/18/1429923718.db2.gz ODWMXVCVHJIHKN-PMACEKPBSA-N 0 1 398.595 3.263 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000821447821 1429924249 /nfs/dbraw/zinc/92/42/49/1429924249.db2.gz LGTSPRBTBAZHCO-SJORKVTESA-N 0 1 383.525 3.294 20 0 GGADMN CC1(C)C[C@@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C(C)(C)O1 ZINC000180604058 1429927705 /nfs/dbraw/zinc/92/77/05/1429927705.db2.gz LGTRJKIAKLOGCA-GOSISDBHSA-N 0 1 377.504 3.435 20 0 GGADMN CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000180605406 1429928252 /nfs/dbraw/zinc/92/82/52/1429928252.db2.gz LGMDOGWSGSDLPF-UHFFFAOYSA-N 0 1 395.454 3.323 20 0 GGADMN CCOc1ccnc(N2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)n1 ZINC000180606452 1429929492 /nfs/dbraw/zinc/92/94/92/1429929492.db2.gz HOPQDUXUDRHWQM-UHFFFAOYSA-N 0 1 396.470 3.117 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000180614514 1429933731 /nfs/dbraw/zinc/93/37/31/1429933731.db2.gz GJXUDCVOAGXBHL-LZVXQISVSA-N 0 1 380.851 3.271 20 0 GGADMN CC[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000180613788 1429934189 /nfs/dbraw/zinc/93/41/89/1429934189.db2.gz KLNOATFLOVJORW-ROUUACIJSA-N 0 1 382.460 3.139 20 0 GGADMN CC[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000180613550 1429934259 /nfs/dbraw/zinc/93/42/59/1429934259.db2.gz ALQORFJFJVLDIG-IBGZPJMESA-N 0 1 380.488 3.347 20 0 GGADMN CCC[C@@H]1CN(C(=O)N[C@@H](C)c2cn(C)nc2C)CCN1Cc1ccccc1 ZINC000180618607 1429936140 /nfs/dbraw/zinc/93/61/40/1429936140.db2.gz AUTLMNFBPPWJKN-FXAWDEMLSA-N 0 1 383.540 3.486 20 0 GGADMN CC(C)n1cnnc1[C@H]1CCCN([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000180623973 1429938784 /nfs/dbraw/zinc/93/87/84/1429938784.db2.gz JYSVMQOCHHTLPD-SCTDSRPQSA-N 0 1 381.524 3.405 20 0 GGADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000180625840 1429940366 /nfs/dbraw/zinc/94/03/66/1429940366.db2.gz DAFFFXVPFZEQDN-UHFFFAOYSA-N 0 1 388.765 3.005 20 0 GGADMN CC[C@H](NCC(=O)NCCCOC1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000180627439 1429941659 /nfs/dbraw/zinc/94/16/59/1429941659.db2.gz DHEMWZVUPGADPP-IBGZPJMESA-N 0 1 390.524 3.354 20 0 GGADMN CC[C@@H](NCC(=O)N[C@@H](C)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000180641707 1429948925 /nfs/dbraw/zinc/94/89/25/1429948925.db2.gz YIOKCLGRNOUFIZ-MAUKXSAKSA-N 0 1 384.476 3.385 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1 ZINC000180641257 1429949145 /nfs/dbraw/zinc/94/91/45/1429949145.db2.gz REXFHSBORASQIH-UHFFFAOYSA-N 0 1 389.503 3.400 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000822193431 1429949156 /nfs/dbraw/zinc/94/91/56/1429949156.db2.gz XVWFNEXGKKMSAD-MAUKXSAKSA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000822193431 1429949158 /nfs/dbraw/zinc/94/91/58/1429949158.db2.gz XVWFNEXGKKMSAD-MAUKXSAKSA-N 0 1 377.496 3.201 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000822193431 1429949162 /nfs/dbraw/zinc/94/91/62/1429949162.db2.gz XVWFNEXGKKMSAD-MAUKXSAKSA-N 0 1 377.496 3.201 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000180640459 1429949273 /nfs/dbraw/zinc/94/92/73/1429949273.db2.gz BMDVOQWDEUADGD-IBGZPJMESA-N 0 1 399.579 3.320 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000180642243 1429950218 /nfs/dbraw/zinc/95/02/18/1429950218.db2.gz ZXMDNUIHTOSDSN-LVCYWYKZSA-N 0 1 388.556 3.100 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(N2CCOC2=O)cc1 ZINC000824529862 1429950361 /nfs/dbraw/zinc/95/03/61/1429950361.db2.gz IHKSOXJTFUGERI-CHWSQXEVSA-N 0 1 396.426 3.374 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000826168178 1429950588 /nfs/dbraw/zinc/95/05/88/1429950588.db2.gz FEILFHOSXBAXMZ-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000826168178 1429950589 /nfs/dbraw/zinc/95/05/89/1429950589.db2.gz FEILFHOSXBAXMZ-INIZCTEOSA-N 0 1 385.493 3.118 20 0 GGADMN Cc1c([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cnn1C ZINC000180643371 1429950896 /nfs/dbraw/zinc/95/08/96/1429950896.db2.gz VXCUFMBVYVTMJD-SJKOYZFVSA-N 0 1 378.423 3.176 20 0 GGADMN Cc1c([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cnn1C ZINC000180643415 1429951151 /nfs/dbraw/zinc/95/11/51/1429951151.db2.gz VXCUFMBVYVTMJD-PXAZEXFGSA-N 0 1 378.423 3.176 20 0 GGADMN Cc1c([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cnn1C ZINC000180643393 1429951206 /nfs/dbraw/zinc/95/12/06/1429951206.db2.gz VXCUFMBVYVTMJD-YVEFUNNKSA-N 0 1 378.423 3.176 20 0 GGADMN C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820412260 1429951885 /nfs/dbraw/zinc/95/18/85/1429951885.db2.gz LNUJSARZNHBABQ-KRWDZBQOSA-N 0 1 376.508 3.224 20 0 GGADMN CCOc1cccc(CNC(=O)CN[C@H](CC)c2ccc3c(c2)OCCO3)c1 ZINC000180647937 1429953699 /nfs/dbraw/zinc/95/36/99/1429953699.db2.gz YMTGDTAGQFBJLT-LJQANCHMSA-N 0 1 384.476 3.214 20 0 GGADMN Cc1ccc(-c2ccc(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)s2)o1 ZINC000180652054 1429956342 /nfs/dbraw/zinc/95/63/42/1429956342.db2.gz GNXOIWULTCEHGK-MRXNPFEDSA-N 0 1 375.538 3.318 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000737033671 1429956766 /nfs/dbraw/zinc/95/67/66/1429956766.db2.gz WZIOWLOCYFODNI-WMLDXEAASA-N 0 1 397.454 3.271 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000826248597 1429957319 /nfs/dbraw/zinc/95/73/19/1429957319.db2.gz OTBZMGYIIYOTTA-QAPCUYQASA-N 0 1 396.520 3.050 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000826248597 1429957323 /nfs/dbraw/zinc/95/73/23/1429957323.db2.gz OTBZMGYIIYOTTA-QAPCUYQASA-N 0 1 396.520 3.050 20 0 GGADMN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000826248597 1429957326 /nfs/dbraw/zinc/95/73/26/1429957326.db2.gz OTBZMGYIIYOTTA-QAPCUYQASA-N 0 1 396.520 3.050 20 0 GGADMN Cc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)c(Br)c1 ZINC000180653392 1429958557 /nfs/dbraw/zinc/95/85/57/1429958557.db2.gz FWOBSBIQIKWFMI-RDJZCZTQSA-N 0 1 378.314 3.437 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)c(OC[C@H]2CCCO2)c1 ZINC000180657806 1429960141 /nfs/dbraw/zinc/96/01/41/1429960141.db2.gz PNKRUSDHRPDKQK-IEBWSBKVSA-N 0 1 375.513 3.357 20 0 GGADMN C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824546708 1429960843 /nfs/dbraw/zinc/96/08/43/1429960843.db2.gz KDPLNTBGQBHGBJ-HOTGVXAUSA-N 0 1 377.496 3.138 20 0 GGADMN C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824528508 1429962298 /nfs/dbraw/zinc/96/22/98/1429962298.db2.gz ASSITDJURBVBHZ-KUHUBIRLSA-N 0 1 394.454 3.020 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521241 1429963347 /nfs/dbraw/zinc/96/33/47/1429963347.db2.gz GAPNNXFMSNXALQ-IEBWSBKVSA-N 0 1 394.548 3.415 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521241 1429963352 /nfs/dbraw/zinc/96/33/52/1429963352.db2.gz GAPNNXFMSNXALQ-IEBWSBKVSA-N 0 1 394.548 3.415 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521241 1429963355 /nfs/dbraw/zinc/96/33/55/1429963355.db2.gz GAPNNXFMSNXALQ-IEBWSBKVSA-N 0 1 394.548 3.415 20 0 GGADMN CC(C)OCCOCc1cccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)c1 ZINC000180663566 1429963942 /nfs/dbraw/zinc/96/39/42/1429963942.db2.gz AXMNOGMNHAXWJM-HXUWFJFHSA-N 0 1 377.529 3.432 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC[C@@H]1c1ccccc1 ZINC000736286802 1429964149 /nfs/dbraw/zinc/96/41/49/1429964149.db2.gz NNYRSYBSUMFWBH-UZLBHIALSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736286802 1429964152 /nfs/dbraw/zinc/96/41/52/1429964152.db2.gz NNYRSYBSUMFWBH-UZLBHIALSA-N 0 1 390.491 3.321 20 0 GGADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736286802 1429964155 /nfs/dbraw/zinc/96/41/55/1429964155.db2.gz NNYRSYBSUMFWBH-UZLBHIALSA-N 0 1 390.491 3.321 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000737640485 1429964353 /nfs/dbraw/zinc/96/43/53/1429964353.db2.gz YTRFCNWDJVBMDW-UHFFFAOYSA-N 0 1 390.422 3.270 20 0 GGADMN CCOc1cccc([C@H](C)N[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000180665410 1429964823 /nfs/dbraw/zinc/96/48/23/1429964823.db2.gz CHGOEVPAWZFXLZ-ZWKOTPCHSA-N 0 1 397.519 3.496 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)NC[C@H]2COC3(CCCCC3)O2)N2CCCC2)o1 ZINC000180667238 1429965241 /nfs/dbraw/zinc/96/52/41/1429965241.db2.gz HUOOGOBHMUSDEX-ZWKOTPCHSA-N 0 1 391.512 3.100 20 0 GGADMN C[N@H+]1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1cccs1 ZINC000821623137 1429967249 /nfs/dbraw/zinc/96/72/49/1429967249.db2.gz DOVDNHVHRRTWOM-XHDPSFHLSA-N 0 1 389.916 3.472 20 0 GGADMN C[C@@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccccc2)CO1 ZINC000820758772 1429970641 /nfs/dbraw/zinc/97/06/41/1429970641.db2.gz CROABCWJJVMSHE-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)[C@@H](c2ccccc2)CO1 ZINC000820758772 1429970644 /nfs/dbraw/zinc/97/06/44/1429970644.db2.gz CROABCWJJVMSHE-OXQOHEQNSA-N 0 1 379.464 3.098 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccnc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000826502807 1429974412 /nfs/dbraw/zinc/97/44/12/1429974412.db2.gz KZWYVOTXVKRRPI-LJQANCHMSA-N 0 1 392.488 3.059 20 0 GGADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3cnn(C)c3C)CCN2C2CC2)c1 ZINC000180685021 1429975674 /nfs/dbraw/zinc/97/56/74/1429975674.db2.gz RQPRBGFBPDLAKA-LVXYXVKQSA-N 0 1 397.523 3.075 20 0 GGADMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)c3cnn(C)c3C)CCN2C2CC2)c1 ZINC000180685057 1429976137 /nfs/dbraw/zinc/97/61/37/1429976137.db2.gz RQPRBGFBPDLAKA-SZFUDVHCSA-N 0 1 397.523 3.075 20 0 GGADMN Cc1cc(NC(=O)N2CCN(C)C[C@H]2C(C)C)ccc1OC1CCOCC1 ZINC000180685998 1429977041 /nfs/dbraw/zinc/97/70/41/1429977041.db2.gz SJCZQGARMKELBW-IBGZPJMESA-N 0 1 375.513 3.357 20 0 GGADMN Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)ccc1OC1CCOCC1 ZINC000180685976 1429977057 /nfs/dbraw/zinc/97/70/57/1429977057.db2.gz SJCZQGARMKELBW-LJQANCHMSA-N 0 1 375.513 3.357 20 0 GGADMN Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)C1(C(N)=O)CCCC1)c1ccccc1 ZINC000180691928 1429979922 /nfs/dbraw/zinc/97/99/22/1429979922.db2.gz ZCYNHYTTYPBUKC-IRLDBZIGSA-N 0 1 396.531 3.192 20 0 GGADMN C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413434 1429980973 /nfs/dbraw/zinc/98/09/73/1429980973.db2.gz PWYRTLOWYLBVMV-HOTGVXAUSA-N 0 1 378.480 3.115 20 0 GGADMN Cc1ccc([C@@H](OC[C@@H](O)C[N@H+](C)C2(C(N)=O)CCCC2)c2ccccc2)cc1 ZINC000180694273 1429981453 /nfs/dbraw/zinc/98/14/53/1429981453.db2.gz GGDRUWFLPBZTPF-VXKWHMMOSA-N 0 1 396.531 3.192 20 0 GGADMN Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C)C2(C(N)=O)CCCC2)c2ccccc2)cc1 ZINC000180694235 1429981587 /nfs/dbraw/zinc/98/15/87/1429981587.db2.gz GGDRUWFLPBZTPF-YADHBBJMSA-N 0 1 396.531 3.192 20 0 GGADMN C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824617235 1429982450 /nfs/dbraw/zinc/98/24/50/1429982450.db2.gz FPNHHZRCGUCCAY-INIZCTEOSA-N 0 1 390.491 3.344 20 0 GGADMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC2(C)C)c1-c1nnn[n-]1 ZINC000737202891 1429984572 /nfs/dbraw/zinc/98/45/72/1429984572.db2.gz PQQVDCRSGLOSOL-UHFFFAOYSA-N 0 1 385.516 3.213 20 0 GGADMN Brc1ccccc1C1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735369476 1429985511 /nfs/dbraw/zinc/98/55/11/1429985511.db2.gz VFRRPUPTSZGRNY-UHFFFAOYSA-N 0 1 384.281 3.451 20 0 GGADMN COc1cc([C@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)ccc1OC(C)C ZINC000826177267 1429986286 /nfs/dbraw/zinc/98/62/86/1429986286.db2.gz AOGAXRNXQGYETF-HNNXBMFYSA-N 0 1 397.479 3.392 20 0 GGADMN CCOc1cccc([C@@H](C)NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000180704913 1429988247 /nfs/dbraw/zinc/98/82/47/1429988247.db2.gz OZTCNCNKKRLVHD-GOSISDBHSA-N 0 1 397.519 3.416 20 0 GGADMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 ZINC000180704881 1429988577 /nfs/dbraw/zinc/98/85/77/1429988577.db2.gz LXDSMPZMVGCLBG-HNNXBMFYSA-N 0 1 381.476 3.267 20 0 GGADMN O=C([N-]CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C(F)(F)F ZINC000180706974 1429990007 /nfs/dbraw/zinc/99/00/07/1429990007.db2.gz QWXDVXXQQBJTSL-KGLIPLIRSA-N 0 1 378.460 3.485 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C(F)(F)F ZINC000180706974 1429990012 /nfs/dbraw/zinc/99/00/12/1429990012.db2.gz QWXDVXXQQBJTSL-KGLIPLIRSA-N 0 1 378.460 3.485 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3cc(F)ccc3C2)c1-c1nnn[n-]1 ZINC000826332435 1429996001 /nfs/dbraw/zinc/99/60/01/1429996001.db2.gz UKJDGAWJBBRYNA-UHFFFAOYSA-N 0 1 389.438 3.058 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3cc(F)ccc3C2)c1-c1nnn[n-]1 ZINC000826332435 1429996005 /nfs/dbraw/zinc/99/60/05/1429996005.db2.gz UKJDGAWJBBRYNA-UHFFFAOYSA-N 0 1 389.438 3.058 20 0 GGADMN Cc1c([C@@H](C)NCCCNC(=O)c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000180721909 1430001056 /nfs/dbraw/zinc/00/10/56/1430001056.db2.gz YESGUDYGEFQTDU-CQSZACIVSA-N 0 1 399.445 3.325 20 0 GGADMN Cc1c([C@H](C)NCCCNC(=O)c2cccc(F)c2)nnn1-c1ccc(F)cc1 ZINC000180728059 1430003605 /nfs/dbraw/zinc/00/36/05/1430003605.db2.gz MOYRYAOBWSMKPZ-AWEZNQCLSA-N 0 1 399.445 3.325 20 0 GGADMN Cc1c([C@@H](C)NCCCNC(=O)c2cccc(F)c2)nnn1-c1ccc(F)cc1 ZINC000180728041 1430003986 /nfs/dbraw/zinc/00/39/86/1430003986.db2.gz MOYRYAOBWSMKPZ-CQSZACIVSA-N 0 1 399.445 3.325 20 0 GGADMN CCO[C@@H]1C[C@H](N(C)Cc2c(C)nn(C)c2OCC(F)(F)F)C12CCC2 ZINC000180729716 1430004539 /nfs/dbraw/zinc/00/45/39/1430004539.db2.gz IOOAEZYISQFKKO-LSDHHAIUSA-N 0 1 375.435 3.449 20 0 GGADMN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180742939 1430012637 /nfs/dbraw/zinc/01/26/37/1430012637.db2.gz KQLFRHNCWFSRKY-UHFFFAOYSA-N 0 1 398.503 3.066 20 0 GGADMN O=C(CC[NH+]1CCC(c2cccc(F)c2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822963904 1430012813 /nfs/dbraw/zinc/01/28/13/1430012813.db2.gz APRHUQMHBVFWNE-UHFFFAOYSA-N 0 1 394.454 3.214 20 0 GGADMN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCO[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736289997 1430014506 /nfs/dbraw/zinc/01/45/06/1430014506.db2.gz GBWHCMMXYFRXRS-IIDMSEBBSA-N 0 1 398.536 3.041 20 0 GGADMN CC1=NN(c2ccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)cc2)CC1 ZINC000180745890 1430014503 /nfs/dbraw/zinc/01/45/03/1430014503.db2.gz GJDRSPLZMQTALO-UHFFFAOYSA-N 0 1 398.551 3.237 20 0 GGADMN CCN(CC)c1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180746115 1430015176 /nfs/dbraw/zinc/01/51/76/1430015176.db2.gz NNSMYLWVMFEYMV-UHFFFAOYSA-N 0 1 387.568 3.497 20 0 GGADMN O=C(CN(Cc1ccncc1)C1CC1)Nc1cccc(CN2CCSCC2)c1 ZINC000180761565 1430024381 /nfs/dbraw/zinc/02/43/81/1430024381.db2.gz WMAPHEACNHXICK-UHFFFAOYSA-N 0 1 396.560 3.234 20 0 GGADMN O[C@@H](COc1ccc(Br)cc1)CN(Cc1ccncc1)C1CC1 ZINC000180762934 1430025106 /nfs/dbraw/zinc/02/51/06/1430025106.db2.gz NXFBGCKABLDCPS-QGZVFWFLSA-N 0 1 377.282 3.248 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825000608 1430025762 /nfs/dbraw/zinc/02/57/62/1430025762.db2.gz SXRJYGFRGFEMBA-UONOGXRCSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825000608 1430025770 /nfs/dbraw/zinc/02/57/70/1430025770.db2.gz SXRJYGFRGFEMBA-UONOGXRCSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(Br)c1 ZINC000180766706 1430027636 /nfs/dbraw/zinc/02/76/36/1430027636.db2.gz GWLXCFFDRADANV-UFBFGSQYSA-N 0 1 383.183 3.402 20 0 GGADMN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000180767283 1430028464 /nfs/dbraw/zinc/02/84/64/1430028464.db2.gz AFVDNRSAOSEVGP-GXFFZTMASA-N 0 1 384.427 3.327 20 0 GGADMN C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCOC2=O)cc1 ZINC000180770233 1430029725 /nfs/dbraw/zinc/02/97/25/1430029725.db2.gz UFPGKEGZEBPXSG-KSSFIOAISA-N 0 1 383.423 3.238 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000180769857 1430029860 /nfs/dbraw/zinc/02/98/60/1430029860.db2.gz YJNMNQQIVRGDMC-DNVCBOLYSA-N 0 1 381.451 3.409 20 0 GGADMN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000180773847 1430031516 /nfs/dbraw/zinc/03/15/16/1430031516.db2.gz RQBKOSNBVRLDRZ-OAHLLOKOSA-N 0 1 394.454 3.335 20 0 GGADMN Cc1cc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)on1 ZINC000737265148 1430038966 /nfs/dbraw/zinc/03/89/66/1430038966.db2.gz TVNVAIKQZUOYIU-UHFFFAOYSA-N 0 1 376.420 3.032 20 0 GGADMN COc1ccc([C@@H](C)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000180787843 1430040089 /nfs/dbraw/zinc/04/00/89/1430040089.db2.gz OMZFRMIRNLZFCL-KRWDZBQOSA-N 0 1 385.483 3.194 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCCC[C@@H]2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180788027 1430040192 /nfs/dbraw/zinc/04/01/92/1430040192.db2.gz REPVUVCLTSYEPO-MDZRGWNJSA-N 0 1 397.922 3.418 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3c(F)cccc3C2)c1-c1nnn[n-]1 ZINC000826332223 1430041409 /nfs/dbraw/zinc/04/14/09/1430041409.db2.gz NFKFTXQWXGISLE-UHFFFAOYSA-N 0 1 389.438 3.058 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3c(F)cccc3C2)c1-c1nnn[n-]1 ZINC000826332223 1430041413 /nfs/dbraw/zinc/04/14/13/1430041413.db2.gz NFKFTXQWXGISLE-UHFFFAOYSA-N 0 1 389.438 3.058 20 0 GGADMN O=C(NCCSc1ccccc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180803444 1430049613 /nfs/dbraw/zinc/04/96/13/1430049613.db2.gz MBNOZPZYPKNGLZ-UHFFFAOYSA-N 0 1 391.581 3.313 20 0 GGADMN CC[C@H](CSC)NC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000180806110 1430051365 /nfs/dbraw/zinc/05/13/65/1430051365.db2.gz JKNSKVKTMXRASK-GOEBONIOSA-N 0 1 377.554 3.243 20 0 GGADMN C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(I)cc1 ZINC000180808320 1430052365 /nfs/dbraw/zinc/05/23/65/1430052365.db2.gz VPYRPZZPDWAWAN-NSHDSACASA-N 0 1 395.306 3.155 20 0 GGADMN CCOC(=O)c1ccsc1NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180819327 1430056308 /nfs/dbraw/zinc/05/63/08/1430056308.db2.gz XGYNKSAZGJBPSB-AWEZNQCLSA-N 0 1 398.488 3.400 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000180821105 1430057219 /nfs/dbraw/zinc/05/72/19/1430057219.db2.gz LKRGZCKVVLFQCU-INMHGKMJSA-N 0 1 387.517 3.247 20 0 GGADMN O=C(NCCCOC1CCCCC1)N1CCC(CCCN2CCOCC2)CC1 ZINC000180830199 1430060953 /nfs/dbraw/zinc/06/09/53/1430060953.db2.gz ISPBWFGXROEIQF-UHFFFAOYSA-N 0 1 395.588 3.260 20 0 GGADMN Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000180831947 1430062451 /nfs/dbraw/zinc/06/24/51/1430062451.db2.gz FZVUQEGRDOKNJU-CYBMUJFWSA-N 0 1 377.408 3.442 20 0 GGADMN CC(=O)Nc1cccc(OCCN[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180839450 1430065244 /nfs/dbraw/zinc/06/52/44/1430065244.db2.gz HXAYTHIDSMHQJD-OAQYLSRUSA-N 0 1 382.439 3.276 20 0 GGADMN CCCCc1nnc(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)s1 ZINC000180845086 1430067263 /nfs/dbraw/zinc/06/72/63/1430067263.db2.gz PSQGBQLHHUOQBR-CQSZACIVSA-N 0 1 384.509 3.356 20 0 GGADMN CN(C)C(=O)c1ccc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000180858285 1430072907 /nfs/dbraw/zinc/07/29/07/1430072907.db2.gz QJGYICICXBCFAU-UHFFFAOYSA-N 0 1 375.419 3.130 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000180859667 1430073053 /nfs/dbraw/zinc/07/30/53/1430073053.db2.gz MAFKUGYQNWQNHO-ZFHGCVPZSA-N 0 1 383.895 3.291 20 0 GGADMN C[C@@H]1CN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000180859667 1430073059 /nfs/dbraw/zinc/07/30/59/1430073059.db2.gz MAFKUGYQNWQNHO-ZFHGCVPZSA-N 0 1 383.895 3.291 20 0 GGADMN CC(C)(NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1 ZINC000180880610 1430085847 /nfs/dbraw/zinc/08/58/47/1430085847.db2.gz DGKFCPDXYANIDX-UHFFFAOYSA-N 0 1 387.430 3.320 20 0 GGADMN Cc1cc(C)c([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1C ZINC000180885289 1430088847 /nfs/dbraw/zinc/08/88/47/1430088847.db2.gz MSPOYUYWDDMBTR-GOSISDBHSA-N 0 1 390.549 3.075 20 0 GGADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1 ZINC000180896591 1430095164 /nfs/dbraw/zinc/09/51/64/1430095164.db2.gz HLBFJJCUTYWPOS-UHFFFAOYSA-N 0 1 392.459 3.483 20 0 GGADMN CCn1cc([C@@H](C)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 ZINC000180898154 1430096779 /nfs/dbraw/zinc/09/67/79/1430096779.db2.gz DVOPBORQKWQENV-MLGOLLRUSA-N 0 1 382.386 3.258 20 0 GGADMN O=C([N-]CCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1)C(F)(F)F ZINC000180898226 1430097224 /nfs/dbraw/zinc/09/72/24/1430097224.db2.gz VKQWMCQTPUTRQV-ZDUSSCGKSA-N 0 1 378.822 3.499 20 0 GGADMN O=C([N-]CCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1)C(F)(F)F ZINC000180898226 1430097228 /nfs/dbraw/zinc/09/72/28/1430097228.db2.gz VKQWMCQTPUTRQV-ZDUSSCGKSA-N 0 1 378.822 3.499 20 0 GGADMN CCn1cc([C@@H](C)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 ZINC000180898187 1430097259 /nfs/dbraw/zinc/09/72/59/1430097259.db2.gz DVOPBORQKWQENV-WBMJQRKESA-N 0 1 382.386 3.258 20 0 GGADMN Cc1c([C@H](C)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cnn1C ZINC000180900715 1430097442 /nfs/dbraw/zinc/09/74/42/1430097442.db2.gz WEANAMDVWORIHV-ZBEGNZNMSA-N 0 1 382.386 3.083 20 0 GGADMN O=C(CC[NH+]1CCC(c2ccccc2F)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737837523 1430098586 /nfs/dbraw/zinc/09/85/86/1430098586.db2.gz HXGFMBCBMOQIOG-UHFFFAOYSA-N 0 1 394.454 3.214 20 0 GGADMN C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825946418 1430101867 /nfs/dbraw/zinc/10/18/67/1430101867.db2.gz XHNOXCRWPPFXDU-UHFFFAOYSA-N 0 1 399.882 3.356 20 0 GGADMN C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825946418 1430101870 /nfs/dbraw/zinc/10/18/70/1430101870.db2.gz XHNOXCRWPPFXDU-UHFFFAOYSA-N 0 1 399.882 3.356 20 0 GGADMN C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825946418 1430101873 /nfs/dbraw/zinc/10/18/73/1430101873.db2.gz XHNOXCRWPPFXDU-UHFFFAOYSA-N 0 1 399.882 3.356 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000736197285 1430108382 /nfs/dbraw/zinc/10/83/82/1430108382.db2.gz MQTACLFDMPXWRK-MRXNPFEDSA-N 0 1 392.463 3.134 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000736197285 1430108385 /nfs/dbraw/zinc/10/83/85/1430108385.db2.gz MQTACLFDMPXWRK-MRXNPFEDSA-N 0 1 392.463 3.134 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000736197285 1430108387 /nfs/dbraw/zinc/10/83/87/1430108387.db2.gz MQTACLFDMPXWRK-MRXNPFEDSA-N 0 1 392.463 3.134 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000180914294 1430109360 /nfs/dbraw/zinc/10/93/60/1430109360.db2.gz JXSWQXWCCJXOMT-OXJNMPFZSA-N 0 1 396.487 3.308 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3cccc(NC(C)=O)c3)C2=O)cc1 ZINC000180916967 1430113337 /nfs/dbraw/zinc/11/33/37/1430113337.db2.gz OVVKSOBAQQHFTQ-VFNWGFHPSA-N 0 1 381.476 3.105 20 0 GGADMN CS(=O)(=O)CCOCCN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000180918390 1430114627 /nfs/dbraw/zinc/11/46/27/1430114627.db2.gz LPKSZRQLSXUHIZ-GOSISDBHSA-N 0 1 385.888 3.219 20 0 GGADMN COCc1cc([C@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)ccc1OC ZINC000180920551 1430115220 /nfs/dbraw/zinc/11/52/20/1430115220.db2.gz AYOQKTVBQDLGTF-KKSFZXQISA-N 0 1 398.503 3.302 20 0 GGADMN Cc1ccccc1[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)C1CC1 ZINC000826305705 1430115795 /nfs/dbraw/zinc/11/57/95/1430115795.db2.gz GMSNRVQRBJGEPL-KRWDZBQOSA-N 0 1 382.493 3.306 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)n[nH]1 ZINC000180927389 1430119036 /nfs/dbraw/zinc/11/90/36/1430119036.db2.gz CCHFLLGEEQHKTB-UHFFFAOYSA-N 0 1 385.399 3.287 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)n[nH]1 ZINC000180930921 1430121567 /nfs/dbraw/zinc/12/15/67/1430121567.db2.gz SOKKJPIAEGYBAI-CYBMUJFWSA-N 0 1 394.431 3.383 20 0 GGADMN COc1ccc(C[C@@H](C)C(=O)NCCN(C)Cc2ccc(F)cc2)cc1OC ZINC000180933125 1430122097 /nfs/dbraw/zinc/12/20/97/1430122097.db2.gz MVJNADLMOJUMDM-MRXNPFEDSA-N 0 1 388.483 3.270 20 0 GGADMN CCN(CC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)OC(C)(C)C ZINC000825424252 1430122319 /nfs/dbraw/zinc/12/23/19/1430122319.db2.gz COYMELZYFNYBAU-QGZVFWFLSA-N 0 1 386.500 3.091 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)n[nH]1 ZINC000180942032 1430126849 /nfs/dbraw/zinc/12/68/49/1430126849.db2.gz OXPVNJOFXWWZTB-UHFFFAOYSA-N 0 1 381.436 3.322 20 0 GGADMN COc1cc(OC)cc(OCCN[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180947064 1430129441 /nfs/dbraw/zinc/12/94/41/1430129441.db2.gz KVZRPOJDKGCQPC-OAQYLSRUSA-N 0 1 385.439 3.334 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000736479959 1430129488 /nfs/dbraw/zinc/12/94/88/1430129488.db2.gz NTWCZTGDQJDXQU-KRWDZBQOSA-N 0 1 392.507 3.126 20 0 GGADMN CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000736479959 1430129493 /nfs/dbraw/zinc/12/94/93/1430129493.db2.gz NTWCZTGDQJDXQU-KRWDZBQOSA-N 0 1 392.507 3.126 20 0 GGADMN O=S(=O)(c1cc(F)c(F)c(F)c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180952603 1430131880 /nfs/dbraw/zinc/13/18/80/1430131880.db2.gz AFQVYNMADVLESB-CYBMUJFWSA-N 0 1 382.407 3.277 20 0 GGADMN O=S(=O)(c1cnn(-c2ccccc2)c1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000180952402 1430132115 /nfs/dbraw/zinc/13/21/15/1430132115.db2.gz QMHDMKDNHWYOHU-IBGZPJMESA-N 0 1 394.500 3.046 20 0 GGADMN O=S(=O)(c1cc(F)c(F)c(F)c1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000180952776 1430133126 /nfs/dbraw/zinc/13/31/26/1430133126.db2.gz AFQVYNMADVLESB-ZDUSSCGKSA-N 0 1 382.407 3.277 20 0 GGADMN C[C@H](NCC(=O)NC(=O)NC1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000180957421 1430135120 /nfs/dbraw/zinc/13/51/20/1430135120.db2.gz PUXSZDOYQACEPH-LBPRGKRZSA-N 0 1 387.402 3.047 20 0 GGADMN Cc1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)nn1-c1cccc(F)c1 ZINC000180959296 1430135720 /nfs/dbraw/zinc/13/57/20/1430135720.db2.gz XRZVSELTVAHYTE-UHFFFAOYSA-N 0 1 393.426 3.313 20 0 GGADMN Cc1nc(-c2ccccc2F)sc1[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000180959683 1430136344 /nfs/dbraw/zinc/13/63/44/1430136344.db2.gz RNFDNZRSOZYXPX-SJKOYZFVSA-N 0 1 399.495 3.447 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1OCc1ccccc1 ZINC000180960526 1430137187 /nfs/dbraw/zinc/13/71/87/1430137187.db2.gz NBAYGCMPCYUQRZ-LAUBAEHRSA-N 0 1 390.487 3.455 20 0 GGADMN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000180964529 1430139872 /nfs/dbraw/zinc/13/98/72/1430139872.db2.gz MYJYIXUOHIJQTB-MLGOLLRUSA-N 0 1 380.464 3.233 20 0 GGADMN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000180964572 1430139987 /nfs/dbraw/zinc/13/99/87/1430139987.db2.gz MYJYIXUOHIJQTB-WBMJQRKESA-N 0 1 380.464 3.233 20 0 GGADMN CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)NC(=O)NCC(C)C)CC1 ZINC000180967983 1430141575 /nfs/dbraw/zinc/14/15/75/1430141575.db2.gz HBCLBZHRJAVNBP-INIZCTEOSA-N 0 1 399.539 3.106 20 0 GGADMN CCc1nc2ccccc2n1C1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000180969214 1430142934 /nfs/dbraw/zinc/14/29/34/1430142934.db2.gz WCHOXXGYPCCLHJ-UHFFFAOYSA-N 0 1 397.523 3.004 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCN(CC(F)(F)F)CC3(C)C)n[nH]2)cc1 ZINC000180975041 1430146461 /nfs/dbraw/zinc/14/64/61/1430146461.db2.gz JUCVOYKHJFFEIE-UHFFFAOYSA-N 0 1 396.413 3.184 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000180975824 1430146988 /nfs/dbraw/zinc/14/69/88/1430146988.db2.gz HWBBCCRERKQXFT-CXAGYDPISA-N 0 1 396.457 3.412 20 0 GGADMN COc1ccc(C[NH2+]CCc2coc(-c3ccc(C)cc3)n2)cc1-c1nn[n-]n1 ZINC000821813808 1430147990 /nfs/dbraw/zinc/14/79/90/1430147990.db2.gz NLWUBGWVYVOFLA-UHFFFAOYSA-N 0 1 390.447 3.171 20 0 GGADMN C[C@H](CCO)N(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000180984229 1430151651 /nfs/dbraw/zinc/15/16/51/1430151651.db2.gz ZFLWOBDMXGWUHK-GOSISDBHSA-N 0 1 395.503 3.025 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@H](C)CCO)c(C)c1 ZINC000180990371 1430155246 /nfs/dbraw/zinc/15/52/46/1430155246.db2.gz WFMSPBKFDWUFSF-GOSISDBHSA-N 0 1 383.492 3.225 20 0 GGADMN COc1cc(NCCN[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc(OC)c1 ZINC000180993534 1430157240 /nfs/dbraw/zinc/15/72/40/1430157240.db2.gz IQIUZNZIBOBRKQ-OAQYLSRUSA-N 0 1 384.455 3.368 20 0 GGADMN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nn1-c1ccc(F)cc1 ZINC000180995751 1430158083 /nfs/dbraw/zinc/15/80/83/1430158083.db2.gz NBFWPKISIQERJV-HNNXBMFYSA-N 0 1 394.454 3.335 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1)C(=O)N1CCCCC1 ZINC000181001529 1430161652 /nfs/dbraw/zinc/16/16/52/1430161652.db2.gz YNNUTJZAKNKFDB-IIBYNOLFSA-N 0 1 389.515 3.164 20 0 GGADMN CN1CC[C@H](CNC(=O)NCCCCCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181003226 1430162317 /nfs/dbraw/zinc/16/23/17/1430162317.db2.gz GQGOXYFHTIWEGX-QAPCUYQASA-N 0 1 385.911 3.324 20 0 GGADMN O=C(N[C@@H]1CCOc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000181003220 1430162525 /nfs/dbraw/zinc/16/25/25/1430162525.db2.gz DZGUKOPXGMHVNR-HXUWFJFHSA-N 0 1 387.524 3.044 20 0 GGADMN CC[NH+](CC)CCCC1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000825412060 1430166756 /nfs/dbraw/zinc/16/67/56/1430166756.db2.gz IYOFBIWLBFNYIS-QXMHVHEDSA-N 0 1 396.539 3.241 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1)c1ccccc1 ZINC000181018456 1430169213 /nfs/dbraw/zinc/16/92/13/1430169213.db2.gz QAJRAQIIHOWKQO-FGZHOGPDSA-N 0 1 397.494 3.250 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000181021781 1430171315 /nfs/dbraw/zinc/17/13/15/1430171315.db2.gz HQHZPXAHXRXRDX-HXUWFJFHSA-N 0 1 380.492 3.304 20 0 GGADMN CCC[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000181021781 1430171326 /nfs/dbraw/zinc/17/13/26/1430171326.db2.gz HQHZPXAHXRXRDX-HXUWFJFHSA-N 0 1 380.492 3.304 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000181024470 1430172715 /nfs/dbraw/zinc/17/27/15/1430172715.db2.gz XVBFCYSSYALZEA-OAHLLOKOSA-N 0 1 389.521 3.007 20 0 GGADMN CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000181045123 1430183564 /nfs/dbraw/zinc/18/35/64/1430183564.db2.gz WPYKFYPXXGRCSO-OAHLLOKOSA-N 0 1 390.505 3.011 20 0 GGADMN CCOc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(F)F ZINC000736627003 1430186520 /nfs/dbraw/zinc/18/65/20/1430186520.db2.gz WGMFKOKKUMUQIS-UHFFFAOYSA-N 0 1 393.369 3.296 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000825621684 1430190792 /nfs/dbraw/zinc/19/07/92/1430190792.db2.gz XINGRGMPSGEAHD-UHFFFAOYSA-N 0 1 385.493 3.284 20 0 GGADMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000825621684 1430190795 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GGADMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000181095403 1430208086 /nfs/dbraw/zinc/20/80/86/1430208086.db2.gz YLETUIBVXUMBHW-LBPRGKRZSA-N 0 1 391.422 3.271 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H]1COC2(CCCCCC2)O1 ZINC000181098248 1430209627 /nfs/dbraw/zinc/20/96/27/1430209627.db2.gz ODHKSJQHWIWUTM-AWEZNQCLSA-N 0 1 391.434 3.225 20 0 GGADMN CN1C(=O)COc2ccc(NC(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)cc21 ZINC000181097959 1430209801 /nfs/dbraw/zinc/20/98/01/1430209801.db2.gz OWQSHGQUBNFISF-UHFFFAOYSA-N 0 1 387.346 3.500 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC(N2CCCC2=O)CC1 ZINC000181101881 1430209971 /nfs/dbraw/zinc/20/99/71/1430209971.db2.gz WXBVYNGSARWBKT-UHFFFAOYSA-N 0 1 377.395 3.119 20 0 GGADMN O=C(NCCc1ccccc1Cl)N1CCC(CCCN2CCOCC2)CC1 ZINC000181106508 1430212527 /nfs/dbraw/zinc/21/25/27/1430212527.db2.gz PUYITDDXSDBVPQ-UHFFFAOYSA-N 0 1 393.959 3.417 20 0 GGADMN CC(C)OCCN1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181107353 1430212922 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VMRBPQAYYXRTEB-HSALFYBXSA-N 0 1 397.437 3.317 20 0 GGADMN CCOc1ccccc1[C@H](CC(C)C)NCC(=O)NC(=O)NCC(F)(F)F ZINC000181259471 1430257987 /nfs/dbraw/zinc/25/79/87/1430257987.db2.gz DEICUFRDESWYJD-AWEZNQCLSA-N 0 1 389.418 3.150 20 0 GGADMN C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181269685 1430259820 /nfs/dbraw/zinc/25/98/20/1430259820.db2.gz DWCILUNXYWUOJJ-AWEZNQCLSA-N 0 1 387.867 3.264 20 0 GGADMN C[C@@H](NCC(=O)N1c2ccccc2C[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181281268 1430262206 /nfs/dbraw/zinc/26/22/06/1430262206.db2.gz RLUDDXWZOWRBEN-JKSUJKDBSA-N 0 1 379.460 3.272 20 0 GGADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181282295 1430262240 /nfs/dbraw/zinc/26/22/40/1430262240.db2.gz JZRFLAXYLIGQSM-GJZGRUSLSA-N 0 1 385.468 3.098 20 0 GGADMN C[C@@H](NCC(=O)N(C)Cc1ccccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000181285073 1430262686 /nfs/dbraw/zinc/26/26/86/1430262686.db2.gz LJBQRQUSWUHRCJ-OAHLLOKOSA-N 0 1 385.439 3.092 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000181286741 1430262969 /nfs/dbraw/zinc/26/29/69/1430262969.db2.gz HJWSJGNZEFMGGC-APWZRJJASA-N 0 1 393.487 3.278 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2cnn(Cc3ccccc3)c2)C1=O ZINC000181286433 1430263030 /nfs/dbraw/zinc/26/30/30/1430263030.db2.gz AMURBCYBVQHARH-XLIONFOSSA-N 0 1 390.487 3.396 20 0 GGADMN CC[C@H](N[C@H]1CCN(c2ccccc2OC)C1=O)c1ccc2c(c1)OCCO2 ZINC000181288531 1430263898 /nfs/dbraw/zinc/26/38/98/1430263898.db2.gz QFDUIDNGDICLQY-IRXDYDNUSA-N 0 1 382.460 3.313 20 0 GGADMN C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181296404 1430266007 /nfs/dbraw/zinc/26/60/07/1430266007.db2.gz FFUBSZPSUNBMHD-MJGOQNOKSA-N 0 1 381.524 3.442 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC[C@H]1CCCCO1)N1CCCCC1 ZINC000181298316 1430266253 /nfs/dbraw/zinc/26/62/53/1430266253.db2.gz ZYMZGMLZSGBMJK-UYAOXDASSA-N 0 1 389.540 3.481 20 0 GGADMN C[C@H](NCC(=O)NCC1(c2ccccc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181298806 1430266337 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GGADMN C[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCCc1cccs1 ZINC000181311276 1430269961 /nfs/dbraw/zinc/26/99/61/1430269961.db2.gz KRFKAIZWJOSOCG-LSDHHAIUSA-N 0 1 387.505 3.103 20 0 GGADMN COC(=O)c1c2c(sc1NC(=O)CN[C@@H](C)c1cccnc1)C[C@H](C)CC2 ZINC000181310925 1430270016 /nfs/dbraw/zinc/27/00/16/1430270016.db2.gz OAIKKLORDILGSM-OLZOCXBDSA-N 0 1 387.505 3.344 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181311698 1430270026 /nfs/dbraw/zinc/27/00/26/1430270026.db2.gz AMKUBXYQCYDFHY-CABCVRRESA-N 0 1 385.439 3.138 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NCCc1cccs1 ZINC000181311294 1430270043 /nfs/dbraw/zinc/27/00/43/1430270043.db2.gz KRFKAIZWJOSOCG-HUUCEWRRSA-N 0 1 387.505 3.103 20 0 GGADMN CCc1cc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)n(C)n1 ZINC000181313574 1430270338 /nfs/dbraw/zinc/27/03/38/1430270338.db2.gz IAWQHWGPWICXST-HNNXBMFYSA-N 0 1 379.468 3.179 20 0 GGADMN Cc1ccccc1CN(C)C(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181320593 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WFBYXRSWLQYHDS-QFBILLFUSA-N 0 1 381.476 3.257 20 0 GGADMN CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1cccc(Br)c1 ZINC000181372606 1430283850 /nfs/dbraw/zinc/28/38/50/1430283850.db2.gz CBZDRJCEFYSFHX-FZMZJTMJSA-N 0 1 375.332 3.241 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H](CN2CCOCC2)c2ccccc2)s1 ZINC000181373231 1430283869 /nfs/dbraw/zinc/28/38/69/1430283869.db2.gz QITZVMSLCAJXHN-QFBILLFUSA-N 0 1 389.565 3.365 20 0 GGADMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000181384021 1430285828 /nfs/dbraw/zinc/28/58/28/1430285828.db2.gz RBVNLJZEJCRXDD-OAHLLOKOSA-N 0 1 390.480 3.077 20 0 GGADMN C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181385498 1430286242 /nfs/dbraw/zinc/28/62/42/1430286242.db2.gz RXKMNCLPTRFXKD-HNNXBMFYSA-N 0 1 390.480 3.077 20 0 GGADMN COc1cc(C)c([C@@H](C)NCCS(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000181387051 1430286825 /nfs/dbraw/zinc/28/68/25/1430286825.db2.gz GPNDUNAGDZSPRE-CQSZACIVSA-N 0 1 381.469 3.276 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cccnc1 ZINC000181389512 1430287334 /nfs/dbraw/zinc/28/73/34/1430287334.db2.gz GYEPLCGIBFKNRA-QGZVFWFLSA-N 0 1 388.471 3.301 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCC[C@H]2CCCCO2)N2CCCCC2)cc1 ZINC000181392962 1430287519 /nfs/dbraw/zinc/28/75/19/1430287519.db2.gz DSSHWRPHDBTJRK-NHCUHLMSSA-N 0 1 389.540 3.481 20 0 GGADMN C[C@H]1CCC[C@@H](CO)N1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181391939 1430287554 /nfs/dbraw/zinc/28/75/54/1430287554.db2.gz UCBIFGQGBPNIOU-YOEHRIQHSA-N 0 1 387.505 3.174 20 0 GGADMN O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000181392463 1430287574 /nfs/dbraw/zinc/28/75/74/1430287574.db2.gz HLXJCLRWSKWBFS-KRWDZBQOSA-N 0 1 392.908 3.200 20 0 GGADMN O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000181392463 1430287579 /nfs/dbraw/zinc/28/75/79/1430287579.db2.gz HLXJCLRWSKWBFS-KRWDZBQOSA-N 0 1 392.908 3.200 20 0 GGADMN C[C@@H]1CCC[C@@H](CO)N1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181391919 1430287773 /nfs/dbraw/zinc/28/77/73/1430287773.db2.gz UCBIFGQGBPNIOU-PBHICJAKSA-N 0 1 387.505 3.174 20 0 GGADMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000181394599 1430287916 /nfs/dbraw/zinc/28/79/16/1430287916.db2.gz UXSZHPVGDVSZEV-GOSISDBHSA-N 0 1 391.515 3.312 20 0 GGADMN C[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000181394782 1430288044 /nfs/dbraw/zinc/28/80/44/1430288044.db2.gz YGRIAWOZBXDGQK-OXQOHEQNSA-N 0 1 393.487 3.104 20 0 GGADMN C[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1cccc(N2CCCC2=O)c1 ZINC000181394822 1430288164 /nfs/dbraw/zinc/28/81/64/1430288164.db2.gz YGRIAWOZBXDGQK-UZLBHIALSA-N 0 1 393.487 3.104 20 0 GGADMN Cc1cnc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)o1 ZINC000181395883 1430288546 /nfs/dbraw/zinc/28/85/46/1430288546.db2.gz GRRZZSHJGHFTIG-LSDHHAIUSA-N 0 1 385.361 3.159 20 0 GGADMN Cc1cnc(CN2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)o1 ZINC000181395858 1430288565 /nfs/dbraw/zinc/28/85/65/1430288565.db2.gz GRRZZSHJGHFTIG-HUUCEWRRSA-N 0 1 385.361 3.159 20 0 GGADMN Cc1nc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)oc1C ZINC000181400822 1430289223 /nfs/dbraw/zinc/28/92/23/1430289223.db2.gz JZHGROOPGHCEJK-JKSUJKDBSA-N 0 1 399.388 3.467 20 0 GGADMN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000181412954 1430291706 /nfs/dbraw/zinc/29/17/06/1430291706.db2.gz BEQFIBGCYBQZKK-UHFFFAOYSA-N 0 1 391.437 3.124 20 0 GGADMN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000181413849 1430292031 /nfs/dbraw/zinc/29/20/31/1430292031.db2.gz NMFLDAVMRXDNFO-UHFFFAOYSA-N 0 1 391.437 3.124 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCCc1cccs1)c1cccc(N2CCCC2=O)c1 ZINC000181416081 1430292837 /nfs/dbraw/zinc/29/28/37/1430292837.db2.gz LJNODIIMFJRCPU-CVEARBPZSA-N 0 1 385.533 3.273 20 0 GGADMN COc1cccc(CNC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000181417202 1430293470 /nfs/dbraw/zinc/29/34/70/1430293470.db2.gz OPWPSQRXLVDFCK-IRXDYDNUSA-N 0 1 395.503 3.178 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1cccc(N2CCCC2=O)c1 ZINC000181420308 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3.081 20 0 GGADMN Cc1ccc(CNC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1F ZINC000181428274 1430296844 /nfs/dbraw/zinc/29/68/44/1430296844.db2.gz LTMLROLTIFQKNR-MRXNPFEDSA-N 0 1 383.467 3.228 20 0 GGADMN O=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)OCc1ccccc1 ZINC000181431172 1430297327 /nfs/dbraw/zinc/29/73/27/1430297327.db2.gz FMJYXUKCHUROQI-UHFFFAOYSA-N 0 1 384.451 3.107 20 0 GGADMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCCCCCO)CC1 ZINC000181438981 1430299541 /nfs/dbraw/zinc/29/95/41/1430299541.db2.gz USYLHGNQPMMTKO-SFHVURJKSA-N 0 1 380.330 3.184 20 0 GGADMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)n(C(C)(C)C)n1 ZINC000181439347 1430299421 /nfs/dbraw/zinc/29/94/21/1430299421.db2.gz DOHKSKBYGWSTEG-INIZCTEOSA-N 0 1 397.523 3.363 20 0 GGADMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CCCCCCO)CC1 ZINC000181438962 1430299477 /nfs/dbraw/zinc/29/94/77/1430299477.db2.gz USYLHGNQPMMTKO-GOSISDBHSA-N 0 1 380.330 3.184 20 0 GGADMN COc1ccc(OC)c([C@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000181441786 1430300376 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GGADMN C[C@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181453209 1430302991 /nfs/dbraw/zinc/30/29/91/1430302991.db2.gz UVUJNHDDLDWUSN-SECBINFHSA-N 0 1 378.404 3.248 20 0 GGADMN C[C@H](NC(=O)CN(C)C[C@@H]1CCCC[C@@H]1O)c1ccc(OC(F)(F)F)cc1 ZINC000181452966 1430303153 /nfs/dbraw/zinc/30/31/53/1430303153.db2.gz LUUKJGBJXVYAON-QRTARXTBSA-N 0 1 388.430 3.245 20 0 GGADMN C[C@H](NC(=O)CNC1(c2cccc(Cl)c2)CCCC1)C(=O)N1CCCCC1 ZINC000181457801 1430304135 /nfs/dbraw/zinc/30/41/35/1430304135.db2.gz GAKFTFRYNPXVCA-INIZCTEOSA-N 0 1 391.943 3.216 20 0 GGADMN O=C(CCN1CCc2c(cccc2N2CCOC2=O)C1)OCc1ccccc1 ZINC000181465848 1430305565 /nfs/dbraw/zinc/30/55/65/1430305565.db2.gz GKDWONKEPUNMGO-UHFFFAOYSA-N 0 1 380.444 3.135 20 0 GGADMN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC(CCCN2CCOCC2)CC1 ZINC000181470346 1430306364 /nfs/dbraw/zinc/30/63/64/1430306364.db2.gz RIVXNNVVBRCMCT-ZRBLBEILSA-N 0 1 397.563 3.106 20 0 GGADMN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N(C)CCc1ccncc1 ZINC000181472105 1430306857 /nfs/dbraw/zinc/30/68/57/1430306857.db2.gz QXKGYWRNDABZMK-MRXNPFEDSA-N 0 1 375.900 3.135 20 0 GGADMN O=C(NCCc1cc2ccccc2[nH]1)N1CCC(CCCN2CCOCC2)CC1 ZINC000181473783 1430307112 /nfs/dbraw/zinc/30/71/12/1430307112.db2.gz PWHVFILMMCIZCD-UHFFFAOYSA-N 0 1 398.551 3.244 20 0 GGADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000181482676 1430307937 /nfs/dbraw/zinc/30/79/37/1430307937.db2.gz FRMXAGHMCOKTTN-OAQYLSRUSA-N 0 1 375.472 3.263 20 0 GGADMN CN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000181484165 1430308293 /nfs/dbraw/zinc/30/82/93/1430308293.db2.gz KCCITQJCGFDTBG-PXNSSMCTSA-N 0 1 382.508 3.171 20 0 GGADMN Cc1nc([C@H](NC(=O)c2c[nH]c3ccccc3c2=O)c2ccc(Cl)cc2)no1 ZINC000181483664 1430308344 /nfs/dbraw/zinc/30/83/44/1430308344.db2.gz DHYDVAMVVREQGK-QGZVFWFLSA-N 0 1 394.818 3.392 20 0 GGADMN O=C(CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)OCc1ccccc1 ZINC000181483304 1430308416 /nfs/dbraw/zinc/30/84/16/1430308416.db2.gz RSDZGPDVEPMQJM-IBGZPJMESA-N 0 1 385.439 3.155 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181484117 1430308441 /nfs/dbraw/zinc/30/84/41/1430308441.db2.gz QCWNYFLQLVDQPU-GFCCVEGCSA-N 0 1 376.478 3.482 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(O)c2)c1 ZINC000181487500 1430308987 /nfs/dbraw/zinc/30/89/87/1430308987.db2.gz MAXZTPFAGVBMCV-MGPUTAFESA-N 0 1 384.476 3.424 20 0 GGADMN C[C@@H](NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1)C(=O)N1CCCCC1 ZINC000181489283 1430309307 /nfs/dbraw/zinc/30/93/07/1430309307.db2.gz XSSSHEMSEPXYPW-IIBYNOLFSA-N 0 1 389.515 3.164 20 0 GGADMN COc1ccc(Cl)cc1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181491331 1430309773 /nfs/dbraw/zinc/30/97/73/1430309773.db2.gz JSNHBWDNXRVKGM-CYBMUJFWSA-N 0 1 389.887 3.433 20 0 GGADMN CCn1c(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)nc2cc(Cl)ccc21 ZINC000181493443 1430310028 /nfs/dbraw/zinc/31/00/28/1430310028.db2.gz JUJFSASBPBDCTR-UHFFFAOYSA-N 0 1 399.863 3.487 20 0 GGADMN O=C(CN[C@H](c1ccccc1F)C1CCCC1)N1CCC2(CC1)OCCO2 ZINC000181495391 1430310501 /nfs/dbraw/zinc/31/05/01/1430310501.db2.gz VXAKULJIJCATHM-FQEVSTJZSA-N 0 1 376.472 3.012 20 0 GGADMN COC1(CNC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000181497167 1430310619 /nfs/dbraw/zinc/31/06/19/1430310619.db2.gz CNXWZSSIXJMQCK-PBHICJAKSA-N 0 1 383.895 3.340 20 0 GGADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](c1ccccc1F)C1CCCC1)c1ccccc1 ZINC000181499142 1430311194 /nfs/dbraw/zinc/31/11/94/1430311194.db2.gz OPFXPAWEFKWDNR-YADHBBJMSA-N 0 1 397.494 3.250 20 0 GGADMN OCC[C@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000181500295 1430311369 /nfs/dbraw/zinc/31/13/69/1430311369.db2.gz KWHDHMVWXFCLOB-INIZCTEOSA-N 0 1 383.418 3.102 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(O)c1 ZINC000181513670 1430313489 /nfs/dbraw/zinc/31/34/89/1430313489.db2.gz UEKGSJAXWROOMU-OAHLLOKOSA-N 0 1 393.443 3.205 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCC[C@@H]2C(C)(C)O)CC1 ZINC000181516834 1430313789 /nfs/dbraw/zinc/31/37/89/1430313789.db2.gz QRRIJJSQTFJOBY-GOSISDBHSA-N 0 1 394.947 3.249 20 0 GGADMN CCc1c2ccccc2oc1[C@@H](C)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000181520721 1430314517 /nfs/dbraw/zinc/31/45/17/1430314517.db2.gz GVSZXXUHFQNYMS-CQSZACIVSA-N 0 1 379.460 3.061 20 0 GGADMN COC(=O)c1sc2[n-]c(C[NH2+][C@H](C)[C@@H](C)c3ccccc3)nc(=O)c2c1C ZINC000181529557 1430315693 /nfs/dbraw/zinc/31/56/93/1430315693.db2.gz YJHBMORDIJDIBH-DGCLKSJQSA-N 0 1 385.489 3.361 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1Cl ZINC000181528103 1430315701 /nfs/dbraw/zinc/31/57/01/1430315701.db2.gz LWKPVQVTTLGJJO-QGZVFWFLSA-N 0 1 380.920 3.284 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)cc1Cl ZINC000181528125 1430315739 /nfs/dbraw/zinc/31/57/39/1430315739.db2.gz LWKPVQVTTLGJJO-KRWDZBQOSA-N 0 1 380.920 3.284 20 0 GGADMN COC(=O)c1sc2[n-]c(C[NH2+][C@@H](C)[C@H](C)c3ccccc3)nc(=O)c2c1C ZINC000181529573 1430315798 /nfs/dbraw/zinc/31/57/98/1430315798.db2.gz YJHBMORDIJDIBH-AAEUAGOBSA-N 0 1 385.489 3.361 20 0 GGADMN C[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000181532604 1430316473 /nfs/dbraw/zinc/31/64/73/1430316473.db2.gz KZEPESXJSVVWJQ-LBPRGKRZSA-N 0 1 387.307 3.446 20 0 GGADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000181535822 1430317068 /nfs/dbraw/zinc/31/70/68/1430317068.db2.gz LCRTYPMOJIIGKD-OAQYLSRUSA-N 0 1 394.519 3.421 20 0 GGADMN Cc1ccc(CCCN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000181540220 1430317725 /nfs/dbraw/zinc/31/77/25/1430317725.db2.gz PVYYTKMLNGRHSZ-UHFFFAOYSA-N 0 1 381.520 3.335 20 0 GGADMN C[C@@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1 ZINC000181544829 1430317961 /nfs/dbraw/zinc/31/79/61/1430317961.db2.gz NDZKRANXQCLFHG-CYBMUJFWSA-N 0 1 382.382 3.300 20 0 GGADMN O=C(Nc1ccc(COc2ccccc2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000181545838 1430318289 /nfs/dbraw/zinc/31/82/89/1430318289.db2.gz XIRIIRZCBJBKIN-FQEVSTJZSA-N 0 1 395.503 3.452 20 0 GGADMN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000181547986 1430318656 /nfs/dbraw/zinc/31/86/56/1430318656.db2.gz MQPSEBHQHCLOGY-OTWHNJEPSA-N 0 1 395.507 3.491 20 0 GGADMN COCCC[C@H](C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000181548004 1430318659 /nfs/dbraw/zinc/31/86/59/1430318659.db2.gz TUQUQPASCGWLCJ-HNNXBMFYSA-N 0 1 376.478 3.489 20 0 GGADMN COc1cc(CCNC(=O)CN[C@@H](C)c2cccc(O)c2)ccc1OC(F)F ZINC000181551209 1430318996 /nfs/dbraw/zinc/31/89/96/1430318996.db2.gz VTBOWJRENXZTMA-ZDUSSCGKSA-N 0 1 394.418 3.012 20 0 GGADMN COC(=O)c1sc2[n-]c(C[NH2+][C@@H](Cc3ccccc3)C3CC3)nc(=O)c2c1C ZINC000181551661 1430319176 /nfs/dbraw/zinc/31/91/76/1430319176.db2.gz UZGLLOOBWIBDIA-HNNXBMFYSA-N 0 1 397.500 3.191 20 0 GGADMN C[C@@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000181568937 1430321443 /nfs/dbraw/zinc/32/14/43/1430321443.db2.gz GKWYSZDRKOMDND-CYBMUJFWSA-N 0 1 382.382 3.257 20 0 GGADMN Cc1ccc(CCCN2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000181568812 1430321478 /nfs/dbraw/zinc/32/14/78/1430321478.db2.gz SLOMUZJTWNRSNW-UHFFFAOYSA-N 0 1 377.532 3.135 20 0 GGADMN CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2cccc(O)c2)sc2c1CCC2 ZINC000181569791 1430321610 /nfs/dbraw/zinc/32/16/10/1430321610.db2.gz SBXDPZILOGLKKU-LBPRGKRZSA-N 0 1 388.489 3.408 20 0 GGADMN Cc1noc([C@H]2CCCN(C[C@H](O)COc3ccccc3C(F)(F)F)C2)n1 ZINC000181571172 1430321875 /nfs/dbraw/zinc/32/18/75/1430321875.db2.gz RMQFJNNNOGTYNQ-KBPBESRZSA-N 0 1 385.386 3.016 20 0 GGADMN O=C(NC[C@@H]1CCc2ccccc21)N1CCC(CCCN2CCOCC2)CC1 ZINC000181573836 1430322205 /nfs/dbraw/zinc/32/22/05/1430322205.db2.gz ULDKCFNOPFSVFP-NRFANRHFSA-N 0 1 385.552 3.250 20 0 GGADMN Cc1cc(N2CCSCC2)ccc1NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000181574658 1430322283 /nfs/dbraw/zinc/32/22/83/1430322283.db2.gz CCTHCAPNVXKPHU-LJQANCHMSA-N 0 1 376.570 3.352 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc(O)c2)c(OC)c1 ZINC000181580424 1430323077 /nfs/dbraw/zinc/32/30/77/1430323077.db2.gz VKSPPVOXOLMXRY-YWZLYKJASA-N 0 1 384.476 3.424 20 0 GGADMN CS[C@H]1CCC[C@H](NC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000181586310 1430323692 /nfs/dbraw/zinc/32/36/92/1430323692.db2.gz MZCYVEOGZMYHFD-OALUTQOASA-N 0 1 383.602 3.195 20 0 GGADMN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC000181588699 1430324247 /nfs/dbraw/zinc/32/42/47/1430324247.db2.gz KNWZRNIEBKINCR-HNNXBMFYSA-N 0 1 392.496 3.244 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccc(OCC2CC2)c(F)c1 ZINC000181589648 1430324415 /nfs/dbraw/zinc/32/44/15/1430324415.db2.gz CSDQQAWVSQXKQE-CYBMUJFWSA-N 0 1 385.439 3.003 20 0 GGADMN C[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccc(OCC2CC2)c(F)c1 ZINC000181589628 1430324471 /nfs/dbraw/zinc/32/44/71/1430324471.db2.gz CSDQQAWVSQXKQE-ZDUSSCGKSA-N 0 1 385.439 3.003 20 0 GGADMN COC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000181602672 1430326319 /nfs/dbraw/zinc/32/63/19/1430326319.db2.gz DDWXEEBDEKDQPK-CHWSQXEVSA-N 0 1 386.414 3.156 20 0 GGADMN CC(C)(C)[C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccc(F)cc1F ZINC000181615591 1430328389 /nfs/dbraw/zinc/32/83/89/1430328389.db2.gz UVWFLDQKUQKVNY-ZDUSSCGKSA-N 0 1 381.345 3.030 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000181614999 1430328504 /nfs/dbraw/zinc/32/85/04/1430328504.db2.gz FZIDEMZTRQZGAW-QMMMGPOBSA-N 0 1 382.346 3.183 20 0 GGADMN CCOCCOCc1cccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c1C ZINC000181617293 1430328773 /nfs/dbraw/zinc/32/87/73/1430328773.db2.gz LZOFZCSXMAJXSY-FQEVSTJZSA-N 0 1 377.529 3.352 20 0 GGADMN COc1ccc([C@H](CNC(=O)N[C@H]2CCCOCC2)N2CCCCC2)cc1 ZINC000181618899 1430329010 /nfs/dbraw/zinc/32/90/10/1430329010.db2.gz DCMGYITXQIVRET-ICSRJNTNSA-N 0 1 375.513 3.091 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H]2CCCOCC2)N2CCCCC2)cc1 ZINC000181618849 1430329081 /nfs/dbraw/zinc/32/90/81/1430329081.db2.gz DCMGYITXQIVRET-UYAOXDASSA-N 0 1 375.513 3.091 20 0 GGADMN COc1cccc2cc([C@H](C)NCC(=O)N3CCN(c4ccccc4)CC3)oc21 ZINC000181619944 1430329224 /nfs/dbraw/zinc/32/92/24/1430329224.db2.gz MOOJDPWWMZLGPE-KRWDZBQOSA-N 0 1 393.487 3.441 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000181619950 1430329245 /nfs/dbraw/zinc/32/92/45/1430329245.db2.gz FRPWMTFIMCOIOU-IBGZPJMESA-N 0 1 396.478 3.443 20 0 GGADMN COc1ccc(C(=O)O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1-n1cnnn1 ZINC000181621354 1430329274 /nfs/dbraw/zinc/32/92/74/1430329274.db2.gz BHORGGPDBKGUJO-JTQLQIEISA-N 0 1 398.810 3.119 20 0 GGADMN CC(C)(C)[C@@H](NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1F ZINC000181625044 1430329855 /nfs/dbraw/zinc/32/98/55/1430329855.db2.gz OJLFHOPWFAJFRS-SFHVURJKSA-N 0 1 382.451 3.007 20 0 GGADMN CC(C)(C)[C@H](NCC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1F ZINC000181625025 1430329964 /nfs/dbraw/zinc/32/99/64/1430329964.db2.gz OJLFHOPWFAJFRS-GOSISDBHSA-N 0 1 382.451 3.007 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ncc(Cl)n2C)CC1 ZINC000181627569 1430330110 /nfs/dbraw/zinc/33/01/10/1430330110.db2.gz XJVOJEQEQLSBMP-AWEZNQCLSA-N 0 1 379.911 3.205 20 0 GGADMN CC(C)NC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000181632184 1430331168 /nfs/dbraw/zinc/33/11/68/1430331168.db2.gz MQLNJOJHJTUCHD-ZDUSSCGKSA-N 0 1 375.419 3.392 20 0 GGADMN CCCc1nc(CN[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)no1 ZINC000181632164 1430331274 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CCc1nc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n[nH]1 ZINC000181741558 1430350984 /nfs/dbraw/zinc/35/09/84/1430350984.db2.gz ZWGOIHPSQUNWDW-UHFFFAOYSA-N 0 1 389.916 3.494 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3cncc(F)c3)cc2)C[C@H](C)O1 ZINC000181745382 1430351758 /nfs/dbraw/zinc/35/17/58/1430351758.db2.gz MIAOLYQBEBGLJT-CALCHBBNSA-N 0 1 385.483 3.079 20 0 GGADMN CCc1nc(CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)n[nH]1 ZINC000181748046 1430351894 /nfs/dbraw/zinc/35/18/94/1430351894.db2.gz LIJDMTPYXVKIJZ-UHFFFAOYSA-N 0 1 387.513 3.129 20 0 GGADMN CCc1nc(CN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)n[nH]1 ZINC000181748197 1430351905 /nfs/dbraw/zinc/35/19/05/1430351905.db2.gz IIUGAVFRAISPMY-UHFFFAOYSA-N 0 1 379.464 3.055 20 0 GGADMN CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)n[nH]1 ZINC000181752137 1430352649 /nfs/dbraw/zinc/35/26/49/1430352649.db2.gz MRDJJTQVZUWVMX-UHFFFAOYSA-N 0 1 383.408 3.376 20 0 GGADMN C[C@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000181765947 1430355176 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GGADMN CC(C)Cn1cc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cn1 ZINC000181793337 1430361656 /nfs/dbraw/zinc/36/16/56/1430361656.db2.gz XKDJBPSKAABTNE-QGZVFWFLSA-N 0 1 396.413 3.333 20 0 GGADMN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000181800338 1430363147 /nfs/dbraw/zinc/36/31/47/1430363147.db2.gz WBHRABPEZCXBBK-UHFFFAOYSA-N 0 1 390.436 3.128 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1-c1nnnn1C1CC1 ZINC000181799773 1430363340 /nfs/dbraw/zinc/36/33/40/1430363340.db2.gz ULZFIZBHXRWDDP-UHFFFAOYSA-N 0 1 391.403 3.062 20 0 GGADMN C[C@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccn1 ZINC000181813264 1430365840 /nfs/dbraw/zinc/36/58/40/1430365840.db2.gz PEBQOJKISYZBSU-OXJNMPFZSA-N 0 1 386.927 3.339 20 0 GGADMN CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](C)c2ccc(Oc3ccccc3)cc2)C1 ZINC000181813805 1430365888 /nfs/dbraw/zinc/36/58/88/1430365888.db2.gz CKPVFKAHQCPPAU-FXAWDEMLSA-N 0 1 395.503 3.257 20 0 GGADMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(OC)cc1 ZINC000181835861 1430369911 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GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)n2)o1 ZINC000181878772 1430376537 /nfs/dbraw/zinc/37/65/37/1430376537.db2.gz AYYANSGGUCVRSL-MRXNPFEDSA-N 0 1 381.436 3.075 20 0 GGADMN COC(=O)c1ccc(F)c(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000181881279 1430377127 /nfs/dbraw/zinc/37/71/27/1430377127.db2.gz AOQPZHBAIJTJHR-MRXNPFEDSA-N 0 1 386.471 3.310 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](c3ccccc3)N3CCSCC3)n2)o1 ZINC000181886076 1430377786 /nfs/dbraw/zinc/37/77/86/1430377786.db2.gz TZCIWMMSNHLBNQ-INIZCTEOSA-N 0 1 383.477 3.102 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3COC3CCOCC3)n2)o1 ZINC000181886891 1430377807 /nfs/dbraw/zinc/37/78/07/1430377807.db2.gz VJLOCIOYPOGPDB-UHFFFAOYSA-N 0 1 382.420 3.321 20 0 GGADMN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000181887530 1430377995 /nfs/dbraw/zinc/37/79/95/1430377995.db2.gz RWCHQOPIHWPHMR-CVEARBPZSA-N 0 1 399.457 3.000 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@]3(C)CCCN(C(=O)c4ccccc4)C3)n2)o1 ZINC000181888416 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390.850 3.095 20 0 GGADMN CC(=O)Nc1cccc2c1CCN(C[C@H](O)COc1cc(C)ccc1Cl)C2 ZINC000182257416 1430438407 /nfs/dbraw/zinc/43/84/07/1430438407.db2.gz RRVXULHXDRRXHM-KRWDZBQOSA-N 0 1 388.895 3.405 20 0 GGADMN CCOC(=O)[C@@H](CC(C)C)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000182261951 1430439135 /nfs/dbraw/zinc/43/91/35/1430439135.db2.gz XUDFKNYDROMAAG-GOSISDBHSA-N 0 1 376.497 3.324 20 0 GGADMN COC(=O)COc1ccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000182264467 1430439598 /nfs/dbraw/zinc/43/95/98/1430439598.db2.gz NPOVGSNIVSUHKZ-UHFFFAOYSA-N 0 1 383.379 3.044 20 0 GGADMN C[C@H](NC(=O)C[C@](C)(O)c1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000182277369 1430441388 /nfs/dbraw/zinc/44/13/88/1430441388.db2.gz ZZNFVDOLSRTCQF-SBUREZEXSA-N 0 1 399.510 3.053 20 0 GGADMN C[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000182277389 1430441471 /nfs/dbraw/zinc/44/14/71/1430441471.db2.gz ZZNFVDOLSRTCQF-HXOBKFHXSA-N 0 1 399.510 3.053 20 0 GGADMN CN(C)c1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2n1 ZINC000182289052 1430443102 /nfs/dbraw/zinc/44/31/02/1430443102.db2.gz HHLWWOPMWKVRJF-IBGZPJMESA-N 0 1 378.476 3.461 20 0 GGADMN CCc1nc(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000182296910 1430444513 /nfs/dbraw/zinc/44/45/13/1430444513.db2.gz WGAKFUYBBRRBNV-UHFFFAOYSA-N 0 1 396.398 3.302 20 0 GGADMN CCc1n[nH]c(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)n1 ZINC000182296910 1430444514 /nfs/dbraw/zinc/44/45/14/1430444514.db2.gz WGAKFUYBBRRBNV-UHFFFAOYSA-N 0 1 396.398 3.302 20 0 GGADMN C[C@](O)(CN1CCC[C@](C)(c2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000182300892 1430445060 /nfs/dbraw/zinc/44/50/60/1430445060.db2.gz VSJYQOQAJYHUCJ-VXKWHMMOSA-N 0 1 387.545 3.351 20 0 GGADMN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(OCC(F)(F)F)nc1 ZINC000182323791 1430448598 /nfs/dbraw/zinc/44/85/98/1430448598.db2.gz GJNXPTNTGOHEGE-UHFFFAOYSA-N 0 1 398.366 3.214 20 0 GGADMN C[C@](O)(CN1CC[C@H](Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000182325766 1430448762 /nfs/dbraw/zinc/44/87/62/1430448762.db2.gz LJKNKYWJCFNEKY-UTKZUKDTSA-N 0 1 391.508 3.001 20 0 GGADMN CCCC[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)C(=O)Nc1cc(C)on1 ZINC000182336624 1430450416 /nfs/dbraw/zinc/45/04/16/1430450416.db2.gz MREVEQSQKHMFIG-QGZVFWFLSA-N 0 1 393.509 3.064 20 0 GGADMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000182339886 1430450831 /nfs/dbraw/zinc/45/08/31/1430450831.db2.gz WLIFZOOULPVMSI-CYBMUJFWSA-N 0 1 382.432 3.281 20 0 GGADMN C[C@H](NC(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1nnc[nH]1 ZINC000182339403 1430450869 /nfs/dbraw/zinc/45/08/69/1430450869.db2.gz DMJRKNUHYUNDKF-GUYCJALGSA-N 0 1 393.426 3.095 20 0 GGADMN Cc1ccc(NC(=O)[C@H](NC[C@H]2COC3(CCOCC3)O2)c2ccccc2)cc1 ZINC000182341583 1430451110 /nfs/dbraw/zinc/45/11/10/1430451110.db2.gz WGFYYIDTFBYLHT-LEWJYISDSA-N 0 1 396.487 3.187 20 0 GGADMN Cc1ccc([C@H](C)NCC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cc1 ZINC000182346028 1430451725 /nfs/dbraw/zinc/45/17/25/1430451725.db2.gz CRBDJASYOHQQIG-AWEZNQCLSA-N 0 1 394.454 3.277 20 0 GGADMN CSc1ccccc1NC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000182347383 1430451980 /nfs/dbraw/zinc/45/19/80/1430451980.db2.gz XDQISDMCLSIMLK-MRXNPFEDSA-N 0 1 385.533 3.465 20 0 GGADMN CCOC(=O)C1=C(CN[C@@H](C)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000182350457 1430452134 /nfs/dbraw/zinc/45/21/34/1430452134.db2.gz XRAVYVZBKOVOGD-IFXJQAMLSA-N 0 1 383.448 3.110 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1nnc[nH]1 ZINC000182351362 1430452505 /nfs/dbraw/zinc/45/25/05/1430452505.db2.gz OUIRRZXWVCNNTP-PBHICJAKSA-N 0 1 396.520 3.026 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(OCC(F)F)ccn2)CC1 ZINC000182367426 1430454021 /nfs/dbraw/zinc/45/40/21/1430454021.db2.gz ACLNUYAASGUMEI-AWEZNQCLSA-N 0 1 390.434 3.076 20 0 GGADMN CC[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000182378578 1430455569 /nfs/dbraw/zinc/45/55/69/1430455569.db2.gz RWMWYMWJFZISRI-TZMCWYRMSA-N 0 1 389.809 3.382 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000182380056 1430455927 /nfs/dbraw/zinc/45/59/27/1430455927.db2.gz GEIJDVSZOISNAJ-KRWDZBQOSA-N 0 1 398.381 3.246 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@](C)(O)c1cccs1 ZINC000182383199 1430456550 /nfs/dbraw/zinc/45/65/50/1430456550.db2.gz WLTDEGYYSVLMOO-FQEVSTJZSA-N 0 1 385.489 3.108 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000182385769 1430457214 /nfs/dbraw/zinc/45/72/14/1430457214.db2.gz VLPVBAHEZNUCHU-KRWDZBQOSA-N 0 1 378.856 3.009 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000182392221 1430458379 /nfs/dbraw/zinc/45/83/79/1430458379.db2.gz PVPPAIOYEMYSQS-QHCPKHFHSA-N 0 1 396.531 3.190 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000182393419 1430458875 /nfs/dbraw/zinc/45/88/75/1430458875.db2.gz OWDCUCXJGOBJJZ-INIZCTEOSA-N 0 1 378.856 3.009 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000182399527 1430460119 /nfs/dbraw/zinc/46/01/19/1430460119.db2.gz UHVBCJZPMTYLHA-VLIAUNLRSA-N 0 1 392.446 3.206 20 0 GGADMN Cc1ccc(NC(=O)c2nnc(CN3CCN(C4CCCC4)CC3)s2)cc1 ZINC000182398719 1430460137 /nfs/dbraw/zinc/46/01/37/1430460137.db2.gz PNOKVVODJXIKCP-UHFFFAOYSA-N 0 1 385.537 3.159 20 0 GGADMN COc1cc([C@@H](C)NC(=O)N[C@H](C)c2nnc[nH]2)ccc1OCCC(C)C ZINC000182402316 1430460833 /nfs/dbraw/zinc/46/08/33/1430460833.db2.gz KJXNEFRTHCOXCN-ZIAGYGMSSA-N 0 1 375.473 3.360 20 0 GGADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](CCO)c1ccc(OC)cc1 ZINC000182406432 1430461760 /nfs/dbraw/zinc/46/17/60/1430461760.db2.gz GKCOJGSJHMOXBC-RBUKOAKNSA-N 0 1 388.533 3.306 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000182406937 1430462110 /nfs/dbraw/zinc/46/21/10/1430462110.db2.gz NBKZSTJPEUYELT-IFMALSPDSA-N 0 1 388.483 3.361 20 0 GGADMN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000182408488 1430462136 /nfs/dbraw/zinc/46/21/36/1430462136.db2.gz LRCHUVCOHRUXJD-UHFFFAOYSA-N 0 1 381.763 3.180 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000182410613 1430462662 /nfs/dbraw/zinc/46/26/62/1430462662.db2.gz RKEPLIHZJWQUSQ-LIRRHRJNSA-N 0 1 376.884 3.239 20 0 GGADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000182411748 1430463094 /nfs/dbraw/zinc/46/30/94/1430463094.db2.gz SXNUIIOOVSFOJU-QGZVFWFLSA-N 0 1 382.382 3.366 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cccnc1Oc1cccc(F)c1 ZINC000182412124 1430463191 /nfs/dbraw/zinc/46/31/91/1430463191.db2.gz XFVYNVRVHRDZEJ-ZWKOTPCHSA-N 0 1 378.469 3.458 20 0 GGADMN CC1CCC2(CC1)OC[C@@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)O2 ZINC000182415914 1430463919 /nfs/dbraw/zinc/46/39/19/1430463919.db2.gz QEAPAZCSJAVYBF-IOBOIYPZSA-N 0 1 391.512 3.038 20 0 GGADMN CC1CCC2(CC1)OC[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCC1)O2 ZINC000182415895 1430464057 /nfs/dbraw/zinc/46/40/57/1430464057.db2.gz QEAPAZCSJAVYBF-KQNFGGRRSA-N 0 1 391.512 3.038 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000182418043 1430464307 /nfs/dbraw/zinc/46/43/07/1430464307.db2.gz CTGKYTLSZBHSKR-MSOLQXFVSA-N 0 1 391.512 3.182 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@H]1COC2(CCCCCC2)O1)c1cccs1 ZINC000182417710 1430464514 /nfs/dbraw/zinc/46/45/14/1430464514.db2.gz VJOOYSLMVHWKKL-JKSUJKDBSA-N 0 1 381.542 3.116 20 0 GGADMN C[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1nnc[nH]1 ZINC000182431346 1430466732 /nfs/dbraw/zinc/46/67/32/1430466732.db2.gz LUJUOKRMGCWYIP-QWHCGFSZSA-N 0 1 396.426 3.318 20 0 GGADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCN(C)CC1 ZINC000182439251 1430468050 /nfs/dbraw/zinc/46/80/50/1430468050.db2.gz CRBQJKZBKZBPID-MRXNPFEDSA-N 0 1 389.584 3.353 20 0 GGADMN CCOC(=O)c1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)o1 ZINC000182441288 1430468249 /nfs/dbraw/zinc/46/82/49/1430468249.db2.gz BJSIYZGLRUXOLA-GOSISDBHSA-N 0 1 392.883 3.273 20 0 GGADMN CCOC(=O)c1nn(-c2ccccc2)cc1CNC[C@@](C)(O)c1cc(C)oc1C ZINC000182456155 1430470760 /nfs/dbraw/zinc/47/07/60/1430470760.db2.gz LZUKVVOPOTVJJQ-JOCHJYFZSA-N 0 1 397.475 3.256 20 0 GGADMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000182459237 1430471398 /nfs/dbraw/zinc/47/13/98/1430471398.db2.gz LKFAYTSDYASOCC-LBPRGKRZSA-N 0 1 377.366 3.341 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000182472565 1430473366 /nfs/dbraw/zinc/47/33/66/1430473366.db2.gz GVIDZAQDOABYKQ-MRXNPFEDSA-N 0 1 387.553 3.471 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@@H]3CCCCO3)c2C1 ZINC000182473735 1430473749 /nfs/dbraw/zinc/47/37/49/1430473749.db2.gz TXMFKSOYIPAYJY-AEFFLSMTSA-N 0 1 387.524 3.061 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@@H]3CCCCO3)c2C1 ZINC000182473757 1430473814 /nfs/dbraw/zinc/47/38/14/1430473814.db2.gz TXMFKSOYIPAYJY-WMZOPIPTSA-N 0 1 387.524 3.061 20 0 GGADMN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000182485649 1430475318 /nfs/dbraw/zinc/47/53/18/1430475318.db2.gz UXJOAQLEEHDLDQ-FZKQIMNGSA-N 0 1 383.427 3.297 20 0 GGADMN CCC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)CCN1Cc1ccccc1 ZINC000182485220 1430475518 /nfs/dbraw/zinc/47/55/18/1430475518.db2.gz DAFDIRPIDKKQPB-NHCUHLMSSA-N 0 1 385.552 3.148 20 0 GGADMN COC(=O)Cc1csc(NC(=O)CN[C@H](C)c2ccc3ccccc3c2)n1 ZINC000182486517 1430475701 /nfs/dbraw/zinc/47/57/01/1430475701.db2.gz PYGZZJZGQQMBEJ-CYBMUJFWSA-N 0 1 383.473 3.301 20 0 GGADMN CCC[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCN1Cc1ccccc1 ZINC000182487877 1430476219 /nfs/dbraw/zinc/47/62/19/1430476219.db2.gz QZGJIKCEYALQGV-IBGZPJMESA-N 0 1 393.487 3.144 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCOCc2ccccc2)CC1 ZINC000182490457 1430476379 /nfs/dbraw/zinc/47/63/79/1430476379.db2.gz IGZPUIAINVRCDW-IBGZPJMESA-N 0 1 399.510 3.377 20 0 GGADMN CCC[C@H]1CN(C(=O)c2nnc3ccccc3c2O)CCN1Cc1ccccc1 ZINC000182490871 1430476458 /nfs/dbraw/zinc/47/64/58/1430476458.db2.gz PWLUOJAIEAIZMJ-SFHVURJKSA-N 0 1 390.487 3.050 20 0 GGADMN COc1ccc(Oc2cc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)ccn2)cc1 ZINC000182493377 1430477109 /nfs/dbraw/zinc/47/71/09/1430477109.db2.gz JQEJLAZYOURTTI-MOPGFXCFSA-N 0 1 390.505 3.328 20 0 GGADMN COC[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000182496325 1430477595 /nfs/dbraw/zinc/47/75/95/1430477595.db2.gz NIUIIPKWGKGEBU-NRFANRHFSA-N 0 1 376.447 3.274 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)nc4)C3)[nH]c2c1 ZINC000182496842 1430477781 /nfs/dbraw/zinc/47/77/81/1430477781.db2.gz CZKNMJUAQDOQLK-CYBMUJFWSA-N 0 1 390.896 3.488 20 0 GGADMN CCC[C@@H]1CN(C(=O)c2cnc3c(c2)c(C)nn3C)CCN1Cc1ccccc1 ZINC000182497348 1430477830 /nfs/dbraw/zinc/47/78/30/1430477830.db2.gz RTCLHADCMHRTNX-HXUWFJFHSA-N 0 1 391.519 3.403 20 0 GGADMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000182499251 1430478724 /nfs/dbraw/zinc/47/87/24/1430478724.db2.gz BDLHJGYAPVBBKX-CVEARBPZSA-N 0 1 392.521 3.143 20 0 GGADMN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000182518378 1430482053 /nfs/dbraw/zinc/48/20/53/1430482053.db2.gz JCFNVLKINBDVSE-OALUTQOASA-N 0 1 378.538 3.261 20 0 GGADMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000182519274 1430482686 /nfs/dbraw/zinc/48/26/86/1430482686.db2.gz RAXAKQLRIOJAJC-GFCCVEGCSA-N 0 1 393.365 3.221 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000182522236 1430482803 /nfs/dbraw/zinc/48/28/03/1430482803.db2.gz XORKMWUWUHYAQU-AWEZNQCLSA-N 0 1 389.883 3.144 20 0 GGADMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C[C@H](O)CCc1ccccc1 ZINC000182524744 1430482906 /nfs/dbraw/zinc/48/29/06/1430482906.db2.gz XOLIHIVBFIKPGO-TZIWHRDSSA-N 0 1 382.504 3.400 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000182522253 1430483087 /nfs/dbraw/zinc/48/30/87/1430483087.db2.gz XORKMWUWUHYAQU-CQSZACIVSA-N 0 1 389.883 3.144 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)N(C)CCOc2cc(C)cc(C)c2)c1 ZINC000182537412 1430485721 /nfs/dbraw/zinc/48/57/21/1430485721.db2.gz YWTXTJRXVVIQSK-SFHVURJKSA-N 0 1 397.519 3.450 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccc(N3CCCCC3)nc2)c1 ZINC000182538527 1430486186 /nfs/dbraw/zinc/48/61/86/1430486186.db2.gz QRVQXOCKXIYJFF-MRXNPFEDSA-N 0 1 395.507 3.320 20 0 GGADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)NC(C)C)c1 ZINC000182538694 1430486449 /nfs/dbraw/zinc/48/64/49/1430486449.db2.gz AFWRMUMXOHTBDF-OAHLLOKOSA-N 0 1 396.491 3.073 20 0 GGADMN CC(=O)c1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1Cl ZINC000182539652 1430486538 /nfs/dbraw/zinc/48/65/38/1430486538.db2.gz LSYAOCLEAAVWAE-UHFFFAOYSA-N 0 1 379.888 3.119 20 0 GGADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000182548071 1430488486 /nfs/dbraw/zinc/48/84/86/1430488486.db2.gz PVTGLVYGYWVTOD-HNNXBMFYSA-N 0 1 394.475 3.061 20 0 GGADMN CCN(CC)C(=O)CCC1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000182548933 1430488962 /nfs/dbraw/zinc/48/89/62/1430488962.db2.gz IDPCGWVTUSAUJW-UHFFFAOYSA-N 0 1 393.959 3.317 20 0 GGADMN C[C@H](NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1cccs1 ZINC000182548409 1430489067 /nfs/dbraw/zinc/48/90/67/1430489067.db2.gz MGAJGCSJOLCRGV-HNNXBMFYSA-N 0 1 377.554 3.086 20 0 GGADMN CCCOc1cccc(CNC(=O)CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000182555217 1430490935 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GGADMN COc1ccc([C@@H](CNC(=O)c2nc(C)c(C)nc2C)N2CCCCC2)cc1 ZINC000184682723 1430941604 /nfs/dbraw/zinc/94/16/04/1430941604.db2.gz LQWITJPUIBWWPS-HXUWFJFHSA-N 0 1 382.508 3.367 20 0 GGADMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(F)cc1F ZINC000184687009 1430942449 /nfs/dbraw/zinc/94/24/49/1430942449.db2.gz PRFKZHOMQRZPGW-LBPRGKRZSA-N 0 1 384.423 3.495 20 0 GGADMN COC[C@@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)o1 ZINC000184689874 1430943807 /nfs/dbraw/zinc/94/38/07/1430943807.db2.gz ACZBZRCRQAQVQB-GOSISDBHSA-N 0 1 385.464 3.021 20 0 GGADMN COc1cc(Cl)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000184696314 1430944596 /nfs/dbraw/zinc/94/45/96/1430944596.db2.gz GLKLRRGCESVSCA-CYBMUJFWSA-N 0 1 378.816 3.044 20 0 GGADMN Cc1cccc(F)c1S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000184694704 1430944754 /nfs/dbraw/zinc/94/47/54/1430944754.db2.gz USSIRQUPGJCMGQ-UHFFFAOYSA-N 0 1 376.497 3.419 20 0 GGADMN CCc1nsc(N2CCCN(Cc3cc(Cl)cc(OC)c3O)CC2)n1 ZINC000184701800 1430946403 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C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000184742924 1430962190 /nfs/dbraw/zinc/96/21/90/1430962190.db2.gz WLKCHMDPLHDFJK-UGSOOPFHSA-N 0 1 389.858 3.054 20 0 GGADMN CSCc1ccccc1NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000184743762 1430962514 /nfs/dbraw/zinc/96/25/14/1430962514.db2.gz SEOOGMZGOVVKFR-RBUKOAKNSA-N 0 1 385.533 3.307 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCSC[C@H]1c1nccs1 ZINC000184745583 1430963352 /nfs/dbraw/zinc/96/33/52/1430963352.db2.gz UQDCAFPDKHRLLK-GJZGRUSLSA-N 0 1 392.550 3.373 20 0 GGADMN COC(=O)c1cn(C2CCN(Cc3cnc(-c4ccc(C)cc4)s3)CC2)nn1 ZINC000184755249 1430967257 /nfs/dbraw/zinc/96/72/57/1430967257.db2.gz PJTTZKVPNJUYOE-UHFFFAOYSA-N 0 1 397.504 3.334 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184757769 1430967800 /nfs/dbraw/zinc/96/78/00/1430967800.db2.gz ZFKOPBYPBHJXAQ-DLBZAZTESA-N 0 1 389.421 3.383 20 0 GGADMN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000184761732 1430970045 /nfs/dbraw/zinc/97/00/45/1430970045.db2.gz MMPUUXJZXIZZFZ-GCJKJVERSA-N 0 1 378.520 3.052 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184771206 1430972358 /nfs/dbraw/zinc/97/23/58/1430972358.db2.gz NMEZVEIGXPWMDQ-IAGOWNOFSA-N 0 1 389.421 3.383 20 0 GGADMN Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000184782490 1430975949 /nfs/dbraw/zinc/97/59/49/1430975949.db2.gz OIJWKAAXKPOHAH-UHFFFAOYSA-N 0 1 389.503 3.493 20 0 GGADMN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(N3CCN(C)CC3)cc1C)CO2 ZINC000184782448 1430976139 /nfs/dbraw/zinc/97/61/39/1430976139.db2.gz SHSOVOWZOGJZLU-HXUWFJFHSA-N 0 1 379.504 3.478 20 0 GGADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)NC3CCOCC3)s2)cc1 ZINC000184792592 1430978738 /nfs/dbraw/zinc/97/87/38/1430978738.db2.gz SUDBNXJVBPTISP-CYBMUJFWSA-N 0 1 389.521 3.073 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)N2CCCC2)o1 ZINC000184809109 1430984390 /nfs/dbraw/zinc/98/43/90/1430984390.db2.gz ABMCMXFNLKHVQL-HXUWFJFHSA-N 0 1 397.519 3.418 20 0 GGADMN Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184828207 1430993503 /nfs/dbraw/zinc/99/35/03/1430993503.db2.gz QFEXGIQEWKNYFR-SFHVURJKSA-N 0 1 396.457 3.407 20 0 GGADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000184828970 1430994590 /nfs/dbraw/zinc/99/45/90/1430994590.db2.gz JNQGZIHSMDKCOB-CXAGYDPISA-N 0 1 381.398 3.287 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc(C(N)=S)cc1)c1cccc(C(F)(F)F)c1 ZINC000184831973 1430996062 /nfs/dbraw/zinc/99/60/62/1430996062.db2.gz SMLSORLXHXPVRA-MRXNPFEDSA-N 0 1 395.450 3.372 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cccc(NC(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000184839138 1430998751 /nfs/dbraw/zinc/99/87/51/1430998751.db2.gz GQUZQTWCZKFWBQ-MRXNPFEDSA-N 0 1 394.397 3.229 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000184839117 1430999021 /nfs/dbraw/zinc/99/90/21/1430999021.db2.gz GQUZQTWCZKFWBQ-INIZCTEOSA-N 0 1 394.397 3.229 20 0 GGADMN CN(C)[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000184840849 1431000086 /nfs/dbraw/zinc/00/00/86/1431000086.db2.gz GETJSVLTFVLKOL-OAHLLOKOSA-N 0 1 380.366 3.467 20 0 GGADMN C[C@@H](NCCc1cc(Cl)c2c(c1)OCCCO2)c1nnnn1-c1ccccc1 ZINC000184842939 1431000233 /nfs/dbraw/zinc/00/02/33/1431000233.db2.gz LNVCNCUWGYBUOQ-CQSZACIVSA-N 0 1 399.882 3.370 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000184845239 1431001203 /nfs/dbraw/zinc/00/12/03/1431001203.db2.gz BRGPCUQWPJVTFA-PKOBYXMFSA-N 0 1 376.522 3.177 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000184845186 1431001418 /nfs/dbraw/zinc/00/14/18/1431001418.db2.gz BRGPCUQWPJVTFA-MJGOQNOKSA-N 0 1 376.522 3.177 20 0 GGADMN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184849899 1431002946 /nfs/dbraw/zinc/00/29/46/1431002946.db2.gz OTZMAKUTMREHLS-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184854816 1431004320 /nfs/dbraw/zinc/00/43/20/1431004320.db2.gz BCDAHSBKWVVFBQ-IBGZPJMESA-N 0 1 376.416 3.124 20 0 GGADMN CN(C)[C@H](CNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1)c1cccs1 ZINC000184863254 1431006407 /nfs/dbraw/zinc/00/64/07/1431006407.db2.gz HLCLKQOLRBGPAX-CRAIPNDOSA-N 0 1 381.929 3.211 20 0 GGADMN C[C@](O)(CNC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1 ZINC000184864044 1431006782 /nfs/dbraw/zinc/00/67/82/1431006782.db2.gz XRLYHVCUELFNBT-XLIONFOSSA-N 0 1 391.899 3.277 20 0 GGADMN Cc1c([C@@H](C)NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cnn1C ZINC000184868408 1431007548 /nfs/dbraw/zinc/00/75/48/1431007548.db2.gz GGCKSZMJAKPUDT-PBHICJAKSA-N 0 1 393.495 3.164 20 0 GGADMN Cc1c([C@H](C)NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cnn1C ZINC000184868463 1431007784 /nfs/dbraw/zinc/00/77/84/1431007784.db2.gz GGCKSZMJAKPUDT-WMLDXEAASA-N 0 1 393.495 3.164 20 0 GGADMN O=C(Cc1ccoc1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000184877795 1431010077 /nfs/dbraw/zinc/01/00/77/1431010077.db2.gz CFSHBUGMKTVOSA-UHFFFAOYSA-N 0 1 390.487 3.221 20 0 GGADMN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000184878751 1431010456 /nfs/dbraw/zinc/01/04/56/1431010456.db2.gz BNJDXMSGGVBOLZ-FQEVSTJZSA-N 0 1 392.459 3.302 20 0 GGADMN Cc1ccc2cccc(NS(=O)(=O)c3cc4c5c(c3)CCCN5C(=O)C4)c2n1 ZINC000184896012 1431015566 /nfs/dbraw/zinc/01/55/66/1431015566.db2.gz JYWAMSCCIXABRD-UHFFFAOYSA-N 0 1 393.468 3.179 20 0 GGADMN Cc1cc2cccnc2c(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000184899044 1431016398 /nfs/dbraw/zinc/01/63/98/1431016398.db2.gz UYGOLKPXFKIEHN-UHFFFAOYSA-N 0 1 393.468 3.179 20 0 GGADMN COCc1c(C(=O)NC[C@H](c2cccs2)N(C)C)cnn1-c1ccccc1 ZINC000184904498 1431017612 /nfs/dbraw/zinc/01/76/12/1431017612.db2.gz AILKOTIVJFGNPJ-QGZVFWFLSA-N 0 1 384.505 3.113 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)n[nH]1 ZINC000184909141 1431019098 /nfs/dbraw/zinc/01/90/98/1431019098.db2.gz BDCFJPGCAUWJMA-CYBMUJFWSA-N 0 1 385.418 3.335 20 0 GGADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccsc1 ZINC000184911203 1431019420 /nfs/dbraw/zinc/01/94/20/1431019420.db2.gz AKHLBIUPQHTDSW-INIZCTEOSA-N 0 1 396.534 3.116 20 0 GGADMN CC[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)CCN1Cc1ccccc1 ZINC000184913539 1431019927 /nfs/dbraw/zinc/01/99/27/1431019927.db2.gz ZTKAWSHWHROHGO-SFHVURJKSA-N 0 1 396.535 3.112 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccc(-n3cncn3)cc2C)CCN1Cc1ccccc1 ZINC000184917248 1431020569 /nfs/dbraw/zinc/02/05/69/1431020569.db2.gz VAVZDZBNSCHEPZ-FQEVSTJZSA-N 0 1 389.503 3.312 20 0 GGADMN CC[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)CCN1Cc1ccccc1 ZINC000184918568 1431021278 /nfs/dbraw/zinc/02/12/78/1431021278.db2.gz AIPCHVOCBDDRDN-NRFANRHFSA-N 0 1 389.499 3.194 20 0 GGADMN CC[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CCN1Cc1ccccc1 ZINC000184920846 1431021383 /nfs/dbraw/zinc/02/13/83/1431021383.db2.gz LNXMQJHIIDHZAS-NRFANRHFSA-N 0 1 393.531 3.260 20 0 GGADMN Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000184919895 1431021656 /nfs/dbraw/zinc/02/16/56/1431021656.db2.gz RJZKRGQVOLVTGG-GASCZTMLSA-N 0 1 396.553 3.038 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cnc(Cc3ccccc3F)s2)C[C@H](C)O1 ZINC000184924997 1431022584 /nfs/dbraw/zinc/02/25/84/1431022584.db2.gz BJSMJJOUHROLOL-GASCZTMLSA-N 0 1 391.512 3.102 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)c2cnc(Cc3ccccc3F)s2)C[C@@H](C)O1 ZINC000184925036 1431022712 /nfs/dbraw/zinc/02/27/12/1431022712.db2.gz BJSMJJOUHROLOL-HUUCEWRRSA-N 0 1 391.512 3.102 20 0 GGADMN CCOc1ccc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c2ncccc12 ZINC000184927498 1431023441 /nfs/dbraw/zinc/02/34/41/1431023441.db2.gz MLWXHBWTSXGWAS-UHFFFAOYSA-N 0 1 397.460 3.024 20 0 GGADMN COC(=O)CNC(=O)CCN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184953396 1431029670 /nfs/dbraw/zinc/02/96/70/1431029670.db2.gz PDTBUNDDSNKXMW-NSHDSACASA-N 0 1 395.912 3.102 20 0 GGADMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184966853 1431032552 /nfs/dbraw/zinc/03/25/52/1431032552.db2.gz YYMDCNZSSKGQPW-UHFFFAOYSA-N 0 1 388.361 3.160 20 0 GGADMN CC(C)(C)OC(=O)c1ccccc1OCCN1CCC(NC(=O)C2CC2)CC1 ZINC000184982235 1431035915 /nfs/dbraw/zinc/03/59/15/1431035915.db2.gz POSRYSORKCWKON-UHFFFAOYSA-N 0 1 388.508 3.011 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(Cn3ccnc3)c2)cc1 ZINC000184987110 1431036899 /nfs/dbraw/zinc/03/68/99/1431036899.db2.gz OQBLFSFJQRLPCR-GOSISDBHSA-N 0 1 383.517 3.192 20 0 GGADMN CC1CCN([C@@H](CNC(=O)c2cc(OC(F)F)n(C)n2)c2cccs2)CC1 ZINC000184994329 1431037729 /nfs/dbraw/zinc/03/77/29/1431037729.db2.gz YXHCAQUHLUFDNE-AWEZNQCLSA-N 0 1 398.479 3.286 20 0 GGADMN CC1CCN([C@H](CNC(=O)c2cc(OC(F)F)n(C)n2)c2cccs2)CC1 ZINC000184994346 1431038153 /nfs/dbraw/zinc/03/81/53/1431038153.db2.gz YXHCAQUHLUFDNE-CQSZACIVSA-N 0 1 398.479 3.286 20 0 GGADMN CSc1cccc(C)c1NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000184998543 1431038920 /nfs/dbraw/zinc/03/89/20/1431038920.db2.gz IEPKWDOFTICOOQ-MSOLQXFVSA-N 0 1 385.533 3.474 20 0 GGADMN C[C@@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)cc1F ZINC000185035197 1431045937 /nfs/dbraw/zinc/04/59/37/1431045937.db2.gz CZMXVCAOENQPEG-GFCCVEGCSA-N 0 1 387.390 3.222 20 0 GGADMN C[C@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)cc1F ZINC000185035179 1431045950 /nfs/dbraw/zinc/04/59/50/1431045950.db2.gz CZMXVCAOENQPEG-LBPRGKRZSA-N 0 1 387.390 3.222 20 0 GGADMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000185036462 1431046233 /nfs/dbraw/zinc/04/62/33/1431046233.db2.gz IQZVBVMSZGPSHZ-UHFFFAOYSA-N 0 1 389.521 3.303 20 0 GGADMN O=C(NNC(=O)c1ccc(Br)s1)Nc1cc(F)c(F)cc1F ZINC000185035903 1431046296 /nfs/dbraw/zinc/04/62/96/1431046296.db2.gz HCFHLQBPXCGAOP-UHFFFAOYSA-N 0 1 394.172 3.394 20 0 GGADMN C[C@@H](C(=O)NC1CCN(Cc2ccccn2)CC1)c1cn(C)c2ccccc12 ZINC000185038173 1431046647 /nfs/dbraw/zinc/04/66/47/1431046647.db2.gz BJSFELOBFBTPHG-QGZVFWFLSA-N 0 1 376.504 3.458 20 0 GGADMN CC[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCN1Cc1ccccc1 ZINC000185044161 1431047760 /nfs/dbraw/zinc/04/77/60/1431047760.db2.gz KQDYCUJSVDKFKG-HXUWFJFHSA-N 0 1 377.492 3.140 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CCN1Cc1ccccc1 ZINC000185044183 1431048159 /nfs/dbraw/zinc/04/81/59/1431048159.db2.gz KQDYCUJSVDKFKG-FQEVSTJZSA-N 0 1 377.492 3.140 20 0 GGADMN Cc1coc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](C)N(Cc4ccccc4)C3)cc12 ZINC000185048968 1431049151 /nfs/dbraw/zinc/04/91/51/1431049151.db2.gz LOCUTEDZSQBOLT-QFBILLFUSA-N 0 1 391.471 3.459 20 0 GGADMN CCCCn1c(=S)n(CN2CC=C(COC)CC2)nc1[C@@H](CC)N(C)C ZINC000185052122 1431049884 /nfs/dbraw/zinc/04/98/84/1431049884.db2.gz WKOYIXSUMNXXQK-QGZVFWFLSA-N 0 1 381.590 3.463 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccnc(N3CCCCC3)c2)cc1 ZINC000185054613 1431050336 /nfs/dbraw/zinc/05/03/36/1431050336.db2.gz YYPLOZSREVZYGO-SFHVURJKSA-N 0 1 387.549 3.332 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCSC2(CCOCC2)C1 ZINC000185054081 1431050384 /nfs/dbraw/zinc/05/03/84/1431050384.db2.gz MZQGMCMEYQQTBB-QGZVFWFLSA-N 0 1 393.553 3.114 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cn1)c1cn(C)c2ccccc12 ZINC000185054985 1431050624 /nfs/dbraw/zinc/05/06/24/1431050624.db2.gz VTUBHOVDHIDVLN-MRXNPFEDSA-N 0 1 377.492 3.067 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@@H]1CCSc2ccccc21 ZINC000185058976 1431051533 /nfs/dbraw/zinc/05/15/33/1431051533.db2.gz KBRXQCLDYZNZSW-MRXNPFEDSA-N 0 1 395.488 3.420 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)c1cccc(F)c1 ZINC000185063747 1431052114 /nfs/dbraw/zinc/05/21/14/1431052114.db2.gz GMVGUXQAIWBUSB-HZPDHXFCSA-N 0 1 394.541 3.385 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)c1cccc(F)c1 ZINC000185063728 1431052388 /nfs/dbraw/zinc/05/23/88/1431052388.db2.gz GMVGUXQAIWBUSB-JKSUJKDBSA-N 0 1 394.541 3.385 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)n[nH]2)cc1 ZINC000185070185 1431053745 /nfs/dbraw/zinc/05/37/45/1431053745.db2.gz CKRXZUYLEBCZCJ-QFIPXVFZSA-N 0 1 375.428 3.357 20 0 GGADMN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000185079014 1431055622 /nfs/dbraw/zinc/05/56/22/1431055622.db2.gz VGSBTOSJJCORAO-CYBMUJFWSA-N 0 1 377.282 3.464 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC000185090899 1431058579 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O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185176495 1431078010 /nfs/dbraw/zinc/07/80/10/1431078010.db2.gz NZODZHDHVAUVTR-UHFFFAOYSA-N 0 1 384.399 3.371 20 0 GGADMN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185190979 1431081310 /nfs/dbraw/zinc/08/13/10/1431081310.db2.gz OVDGWAKSOWMAFQ-UHFFFAOYSA-N 0 1 389.452 3.253 20 0 GGADMN CN(C)[C@H](CNC(=O)N1CCSC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000185201411 1431083290 /nfs/dbraw/zinc/08/32/90/1431083290.db2.gz CNCILKYQWCSVFI-HZPDHXFCSA-N 0 1 394.541 3.385 20 0 GGADMN O=C1CCCN1Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185201084 1431083357 /nfs/dbraw/zinc/08/33/57/1431083357.db2.gz UEWIXICLDXYLEK-UHFFFAOYSA-N 0 1 387.436 3.230 20 0 GGADMN COCCOc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(C)c1 ZINC000185205358 1431084624 /nfs/dbraw/zinc/08/46/24/1431084624.db2.gz ULYTXUVZDDOGGZ-UHFFFAOYSA-N 0 1 378.425 3.441 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1nc(-c2cccnc2)no1 ZINC000185210346 1431085914 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20 0 GGADMN COc1cccc([C@@H](CNC(=O)NC[C@H](C)c2nc(C)cs2)N(C)C)c1 ZINC000185237913 1431091409 /nfs/dbraw/zinc/09/14/09/1431091409.db2.gz VECPFCPIDSSYJS-SUMWQHHRSA-N 0 1 376.526 3.166 20 0 GGADMN COc1ccc2c(c1)nc(CNC(=O)CCc1nc3cccc(C)c3[nH]1)n2C ZINC000185243732 1431092516 /nfs/dbraw/zinc/09/25/16/1431092516.db2.gz RDIOSPVNGVJPPJ-UHFFFAOYSA-N 0 1 377.448 3.016 20 0 GGADMN Cc1ccc(CCNC(=O)NCc2n[nH]c(COc3ccccc3)n2)c(C)c1 ZINC000185247159 1431093137 /nfs/dbraw/zinc/09/31/37/1431093137.db2.gz GTUKPRWIZBRQMZ-UHFFFAOYSA-N 0 1 379.464 3.042 20 0 GGADMN C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC000185250025 1431093555 /nfs/dbraw/zinc/09/35/55/1431093555.db2.gz PFDRUXKNCYTAQE-INIZCTEOSA-N 0 1 387.911 3.435 20 0 GGADMN O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c([O-])cccc1F ZINC000185259054 1431095414 /nfs/dbraw/zinc/09/54/14/1431095414.db2.gz LDBTXGSLHPKRHQ-MRXNPFEDSA-N 0 1 380.423 3.427 20 0 GGADMN O=[N+]([O-])c1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1Cl ZINC000185268646 1431097356 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GGADMN COc1ccc(CN2CC[C@@H](NCc3ccc([N+](=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000185292271 1431102030 /nfs/dbraw/zinc/10/20/30/1431102030.db2.gz IHBMKZRFCCCKHV-QGZVFWFLSA-N 0 1 389.839 3.148 20 0 GGADMN O=S1(=O)CCCN1c1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000185296952 1431103361 /nfs/dbraw/zinc/10/33/61/1431103361.db2.gz ROPDWAYKZTZDQB-LJQANCHMSA-N 0 1 390.480 3.369 20 0 GGADMN Cc1ccc([C@@H](CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)N2CCCC2)o1 ZINC000185298274 1431103843 /nfs/dbraw/zinc/10/38/43/1431103843.db2.gz VKKNZCMGHMNBNA-YLJYHZDGSA-N 0 1 390.549 3.485 20 0 GGADMN Cc1ccc([C@@H](CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)N2CCCC2)o1 ZINC000185298291 1431104247 /nfs/dbraw/zinc/10/42/47/1431104247.db2.gz VKKNZCMGHMNBNA-FXAWDEMLSA-N 0 1 390.549 3.485 20 0 GGADMN c1nnc(-c2ccc(-c3nc(-c4cccc(CN5CCOCC5)c4)no3)cc2)[nH]1 ZINC000185299735 1431104988 /nfs/dbraw/zinc/10/49/88/1431104988.db2.gz ZYTCDDQXAPKZIN-UHFFFAOYSA-N 0 1 388.431 3.021 20 0 GGADMN Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(-c5nnc[nH]5)cc4)n3)cn2)n1 ZINC000185300500 1431105786 /nfs/dbraw/zinc/10/57/86/1431105786.db2.gz INOUHDRCOMYJSS-UHFFFAOYSA-N 0 1 384.403 3.386 20 0 GGADMN C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(Br)cc1[O-] ZINC000185303922 1431106528 /nfs/dbraw/zinc/10/65/28/1431106528.db2.gz XECFSLLJKHVNCM-LBPRGKRZSA-N 0 1 393.281 3.331 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC1(c2ccccc2)CCC1 ZINC000185323017 1431114407 /nfs/dbraw/zinc/11/44/07/1431114407.db2.gz VMKSNYQLYBVALH-UHFFFAOYSA-N 0 1 377.448 3.262 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc3c(c2)OCCCO3)cc1 ZINC000185323431 1431114554 /nfs/dbraw/zinc/11/45/54/1431114554.db2.gz RKJUSXCITURCQM-INIZCTEOSA-N 0 1 375.490 3.108 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000185334771 1431117845 /nfs/dbraw/zinc/11/78/45/1431117845.db2.gz GQLTYIUNWLYACT-LJQANCHMSA-N 0 1 375.472 3.265 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CCN1Cc1ccccc1 ZINC000185334771 1431117849 /nfs/dbraw/zinc/11/78/49/1431117849.db2.gz GQLTYIUNWLYACT-LJQANCHMSA-N 0 1 375.472 3.265 20 0 GGADMN CC[C@H](Cc1ccccc1)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185335600 1431118733 /nfs/dbraw/zinc/11/87/33/1431118733.db2.gz FYDPOWBDKWUSLC-QGZVFWFLSA-N 0 1 379.464 3.204 20 0 GGADMN COc1ccccc1C(C)(C)NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185339194 1431119101 /nfs/dbraw/zinc/11/91/01/1431119101.db2.gz LFDFBNVGCFVWMA-UHFFFAOYSA-N 0 1 395.463 3.127 20 0 GGADMN CC[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)cc2)CCN1Cc1ccccc1 ZINC000185338319 1431119258 /nfs/dbraw/zinc/11/92/58/1431119258.db2.gz CHBZVLIFVRSUSL-JOCHJYFZSA-N 0 1 379.504 3.059 20 0 GGADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000185342544 1431120312 /nfs/dbraw/zinc/12/03/12/1431120312.db2.gz WDDVWEZHUQJXTM-LIRRHRJNSA-N 0 1 392.421 3.225 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000185345550 1431121286 /nfs/dbraw/zinc/12/12/86/1431121286.db2.gz SPZQUSBVDZPKAL-WIYYLYMNSA-N 0 1 382.504 3.124 20 0 GGADMN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc2ccccc2n1 ZINC000185348326 1431121854 /nfs/dbraw/zinc/12/18/54/1431121854.db2.gz IQNPBFBLWHKZGI-FDDCHVKYSA-N 0 1 389.499 3.356 20 0 GGADMN CCc1nc(C)c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)s1 ZINC000185351794 1431123546 /nfs/dbraw/zinc/12/35/46/1431123546.db2.gz CQHJLYQLKZAAFR-YJBOKZPZSA-N 0 1 387.549 3.135 20 0 GGADMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185353592 1431124017 /nfs/dbraw/zinc/12/40/17/1431124017.db2.gz UHHJLKMFBJRBMV-YOEHRIQHSA-N 0 1 397.441 3.060 20 0 GGADMN CC[C@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1nc(C)cs1 ZINC000185356888 1431124683 /nfs/dbraw/zinc/12/46/83/1431124683.db2.gz IDDOKKCEYOTBEW-AWEZNQCLSA-N 0 1 386.481 3.099 20 0 GGADMN CC(C)(O)[C@@H]1CCCN1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000185360202 1431125982 /nfs/dbraw/zinc/12/59/82/1431125982.db2.gz QCPVWJGAZMNIKA-MSOLQXFVSA-N 0 1 379.932 3.422 20 0 GGADMN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000185367797 1431127574 /nfs/dbraw/zinc/12/75/74/1431127574.db2.gz RWPBMYHZIOESNY-CQSZACIVSA-N 0 1 397.429 3.269 20 0 GGADMN Cc1nc(C)c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)nc1C ZINC000185369322 1431127828 /nfs/dbraw/zinc/12/78/28/1431127828.db2.gz HJGTWYAJVAJAOW-UHFFFAOYSA-N 0 1 395.507 3.469 20 0 GGADMN O=C(CC1CCOCC1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185379519 1431130398 /nfs/dbraw/zinc/13/03/98/1431130398.db2.gz XDJIPOBVWLNCCJ-UHFFFAOYSA-N 0 1 394.269 3.018 20 0 GGADMN O=C(CC1CCOCC1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185379519 1431130400 /nfs/dbraw/zinc/13/04/00/1431130400.db2.gz XDJIPOBVWLNCCJ-UHFFFAOYSA-N 0 1 394.269 3.018 20 0 GGADMN O=C(C=Cc1cccnc1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185380472 1431130554 /nfs/dbraw/zinc/13/05/54/1431130554.db2.gz CQOCSYDHLCIEBO-BQYQJAHWSA-N 0 1 399.248 3.310 20 0 GGADMN O=C(C=Cc1cccnc1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185380472 1431130563 /nfs/dbraw/zinc/13/05/63/1431130563.db2.gz CQOCSYDHLCIEBO-BQYQJAHWSA-N 0 1 399.248 3.310 20 0 GGADMN COCCCCC(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185380734 1431130594 /nfs/dbraw/zinc/13/05/94/1431130594.db2.gz 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COc1cccc(CNC(=O)CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000185649359 1431195167 /nfs/dbraw/zinc/19/51/67/1431195167.db2.gz MWLNDRJESNVESF-GFCCVEGCSA-N 0 1 398.429 3.038 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000185651004 1431195810 /nfs/dbraw/zinc/19/58/10/1431195810.db2.gz DIERXTQZXYTEIS-GJZGRUSLSA-N 0 1 388.439 3.364 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000185650402 1431195866 /nfs/dbraw/zinc/19/58/66/1431195866.db2.gz ICPNSGLEHXFRBR-KRWDZBQOSA-N 0 1 396.487 3.085 20 0 GGADMN Cc1ccsc1CNC(=O)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185651735 1431196406 /nfs/dbraw/zinc/19/64/06/1431196406.db2.gz XUDYKEDHGNCVSV-NSHDSACASA-N 0 1 388.459 3.399 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)NCc1ccccc1F ZINC000185653212 1431196835 /nfs/dbraw/zinc/19/68/35/1431196835.db2.gz DUVBCUHLQSAIDA-NSHDSACASA-N 0 1 386.393 3.168 20 0 GGADMN Cc1oc2ccccc2c1CNC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185661296 1431199372 /nfs/dbraw/zinc/19/93/72/1431199372.db2.gz LKGZXDIJSMVDEG-UHFFFAOYSA-N 0 1 391.431 3.438 20 0 GGADMN CN(C)[C@@H](CNC(=O)NCC1(CO)CCCC1)c1cccc(C(F)(F)F)c1 ZINC000185661507 1431199453 /nfs/dbraw/zinc/19/94/53/1431199453.db2.gz BHRXOERRZGSWNJ-INIZCTEOSA-N 0 1 387.446 3.160 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000185663491 1431199852 /nfs/dbraw/zinc/19/98/52/1431199852.db2.gz FTKSCHYZKLXBCS-GFCCVEGCSA-N 0 1 394.830 3.320 20 0 GGADMN O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1cnn(CC(F)(F)F)c1 ZINC000185668551 1431201226 /nfs/dbraw/zinc/20/12/26/1431201226.db2.gz DJXJOMZYUZVWBW-UHFFFAOYSA-N 0 1 396.156 3.219 20 0 GGADMN CC[C@@H]1[C@@H](C)CCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000185673615 1431202265 /nfs/dbraw/zinc/20/22/65/1431202265.db2.gz MAYMNVXPEHLWJH-JGGQBBKZSA-N 0 1 383.414 3.413 20 0 GGADMN CN(C)c1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(O)c(Cl)c1 ZINC000185675272 1431202661 /nfs/dbraw/zinc/20/26/61/1431202661.db2.gz NIISKWIWGJNOJO-UHFFFAOYSA-N 0 1 383.235 3.232 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000185675741 1431202785 /nfs/dbraw/zinc/20/27/85/1431202785.db2.gz ZTJRMVQISOHPIU-QZTJIDSGSA-N 0 1 398.503 3.383 20 0 GGADMN COC(=O)COc1ccc([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000185675757 1431202879 /nfs/dbraw/zinc/20/28/79/1431202879.db2.gz ZTJRMVQISOHPIU-MSOLQXFVSA-N 0 1 398.503 3.383 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000185686760 1431206005 /nfs/dbraw/zinc/20/60/05/1431206005.db2.gz JBYMSOSJSYSNPQ-KRWDZBQOSA-N 0 1 384.476 3.453 20 0 GGADMN CCN(CC)[C@H](C(=O)N1CCN([C@@H](C)c2nccs2)CC1)c1ccccc1 ZINC000185687105 1431206034 /nfs/dbraw/zinc/20/60/34/1431206034.db2.gz BYQMUFUTBULIMV-HKUYNNGSSA-N 0 1 386.565 3.431 20 0 GGADMN C[N@@H+](CCn1nc(Br)nc1Br)Cc1ccc(F)cc1 ZINC000185693542 1431207707 /nfs/dbraw/zinc/20/77/07/1431207707.db2.gz KWCDPYLTUOIFDM-UHFFFAOYSA-N 0 1 392.070 3.074 20 0 GGADMN C[C@H](c1nccs1)N1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000185694698 1431207945 /nfs/dbraw/zinc/20/79/45/1431207945.db2.gz WYCCIJXDRWCZAV-UYAOXDASSA-N 0 1 398.576 3.403 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccc(F)cc1 ZINC000185730498 1431218047 /nfs/dbraw/zinc/21/80/47/1431218047.db2.gz BPEOLZLEJUHWKA-RBBKRZOGSA-N 0 1 383.467 3.269 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccc(F)cc1 ZINC000185730538 1431218154 /nfs/dbraw/zinc/21/81/54/1431218154.db2.gz BPEOLZLEJUHWKA-UNMCSNQZSA-N 0 1 383.467 3.269 20 0 GGADMN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000185740584 1431220343 /nfs/dbraw/zinc/22/03/43/1431220343.db2.gz HFCDHEORCDJNNC-UHFFFAOYSA-N 0 1 382.382 3.478 20 0 GGADMN COCC1=CCN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000185744307 1431221462 /nfs/dbraw/zinc/22/14/62/1431221462.db2.gz MKGIVGBFLYCJIM-LPHOPBHVSA-N 0 1 395.906 3.460 20 0 GGADMN O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1c(O)cccc1F ZINC000185743878 1431221790 /nfs/dbraw/zinc/22/17/90/1431221790.db2.gz DVQHCCFNHAJAEF-UHFFFAOYSA-N 0 1 377.379 3.214 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185754664 1431225555 /nfs/dbraw/zinc/22/55/55/1431225555.db2.gz URSLZLLNRWHQDA-KBPBESRZSA-N 0 1 391.393 3.007 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC000185777109 1431232577 /nfs/dbraw/zinc/23/25/77/1431232577.db2.gz GUEOTQUOFIHCRG-RTWAWAEBSA-N 0 1 388.556 3.462 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC000185777092 1431232846 /nfs/dbraw/zinc/23/28/46/1431232846.db2.gz GUEOTQUOFIHCRG-LEWJYISDSA-N 0 1 388.556 3.462 20 0 GGADMN CCOC(=O)N1CC[C@@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000185778754 1431233120 /nfs/dbraw/zinc/23/31/20/1431233120.db2.gz OOICOXCMXHQBGA-CQSZACIVSA-N 0 1 393.285 3.160 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000185789283 1431236385 /nfs/dbraw/zinc/23/63/85/1431236385.db2.gz PKEZHABUKSXIPB-OAQYLSRUSA-N 0 1 379.504 3.299 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000185804625 1431239830 /nfs/dbraw/zinc/23/98/30/1431239830.db2.gz NYFNKLIFHKWINY-LJQANCHMSA-N 0 1 398.503 3.166 20 0 GGADMN CN(C)[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000185823325 1431244482 /nfs/dbraw/zinc/24/44/82/1431244482.db2.gz JMQIJTJQXVIZAH-JKSUJKDBSA-N 0 1 389.462 3.404 20 0 GGADMN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000185823938 1431244644 /nfs/dbraw/zinc/24/46/44/1431244644.db2.gz NYVNQQSMDBESOL-MRXNPFEDSA-N 0 1 381.411 3.454 20 0 GGADMN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000185839929 1431248687 /nfs/dbraw/zinc/24/86/87/1431248687.db2.gz IPDHPSGNTBRZKI-UHFFFAOYSA-N 0 1 395.463 3.125 20 0 GGADMN CC(=O)N[C@H]1CCCN(C(=O)CNC(c2ccccc2C)c2ccccc2C)C1 ZINC000185855538 1431252905 /nfs/dbraw/zinc/25/29/05/1431252905.db2.gz GCXIICBLQFNMHB-FQEVSTJZSA-N 0 1 393.531 3.110 20 0 GGADMN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)[nH]n2)cc1 ZINC000185860255 1431254522 /nfs/dbraw/zinc/25/45/22/1431254522.db2.gz QBKYHMABUXOTAL-UHFFFAOYSA-N 0 1 377.404 3.315 20 0 GGADMN CC(C)(C)c1cccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c1O ZINC000185860867 1431254551 /nfs/dbraw/zinc/25/45/51/1431254551.db2.gz MAWAMAUIBXNQJF-UHFFFAOYSA-N 0 1 382.508 3.236 20 0 GGADMN CC(=O)N1CCC(NC(=O)CNC(c2ccccc2C)c2ccccc2C)CC1 ZINC000185865175 1431255969 /nfs/dbraw/zinc/25/59/69/1431255969.db2.gz DXVKWBLJCGQTDP-UHFFFAOYSA-N 0 1 393.531 3.110 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185874909 1431258929 /nfs/dbraw/zinc/25/89/29/1431258929.db2.gz GTEWSVLPFJHMGQ-HXUWFJFHSA-N 0 1 382.895 3.329 20 0 GGADMN C[C@H](c1ccco1)N(C(=O)NCc1n[nH]c(COc2ccccc2)n1)C1CC1 ZINC000185874259 1431259174 /nfs/dbraw/zinc/25/91/74/1431259174.db2.gz HIJXSXGTETYYDN-CQSZACIVSA-N 0 1 381.436 3.412 20 0 GGADMN CCC[C@@H]1CCCC[N@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000185879155 1431260567 /nfs/dbraw/zinc/26/05/67/1431260567.db2.gz LVUAYSZPHWIGLD-MRXNPFEDSA-N 0 1 392.569 3.461 20 0 GGADMN CCC[C@@H]1CCCCN1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000185879155 1431260569 /nfs/dbraw/zinc/26/05/69/1431260569.db2.gz LVUAYSZPHWIGLD-MRXNPFEDSA-N 0 1 392.569 3.461 20 0 GGADMN C[C@H]1CN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000185879793 1431261437 /nfs/dbraw/zinc/26/14/37/1431261437.db2.gz QTMGHLFVLGNHAV-YWZLYKJASA-N 0 1 377.448 3.286 20 0 GGADMN C[C@@H]1CN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000185879769 1431261573 /nfs/dbraw/zinc/26/15/73/1431261573.db2.gz QTMGHLFVLGNHAV-QRWLVFNGSA-N 0 1 377.448 3.286 20 0 GGADMN CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1noc2ccccc21 ZINC000185881772 1431261906 /nfs/dbraw/zinc/26/19/06/1431261906.db2.gz GBOJNARQPQXHSD-GOSISDBHSA-N 0 1 399.516 3.254 20 0 GGADMN CN(Cc1ccc(F)c(F)c1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185882088 1431262194 /nfs/dbraw/zinc/26/21/94/1431262194.db2.gz NNYOGXFKKONPRR-UHFFFAOYSA-N 0 1 387.390 3.004 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC(OC2CCCC2)CC1 ZINC000185892057 1431266154 /nfs/dbraw/zinc/26/61/54/1431266154.db2.gz LZVNEGBKPRNKNO-UHFFFAOYSA-N 0 1 399.495 3.017 20 0 GGADMN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185895813 1431267610 /nfs/dbraw/zinc/26/76/10/1431267610.db2.gz VBCRORWQQSJQMG-CRAIPNDOSA-N 0 1 392.463 3.071 20 0 GGADMN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC000185895854 1431268067 /nfs/dbraw/zinc/26/80/67/1431268067.db2.gz VBCRORWQQSJQMG-QAPCUYQASA-N 0 1 392.463 3.071 20 0 GGADMN CN1CC[C@@H](CNC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185897384 1431268560 /nfs/dbraw/zinc/26/85/60/1431268560.db2.gz OSDZQJMQAPXBHZ-SJCJKPOMSA-N 0 1 378.831 3.313 20 0 GGADMN CN(CCCc1ccccc1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000185896867 1431268587 /nfs/dbraw/zinc/26/85/87/1431268587.db2.gz ONDIAGORQXBUPV-UHFFFAOYSA-N 0 1 379.464 3.158 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCC[C@H]1Cc1ccccc1 ZINC000185896625 1431268984 /nfs/dbraw/zinc/26/89/84/1431268984.db2.gz LRUXQZFQGXNXGI-SFHVURJKSA-N 0 1 391.475 3.300 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@H](Cc2ccccc2)C1 ZINC000185898311 1431269757 /nfs/dbraw/zinc/26/97/57/1431269757.db2.gz XQRBOLWSNOKHBE-GOSISDBHSA-N 0 1 391.475 3.158 20 0 GGADMN NC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccccc1OCC(F)(F)F ZINC000185900686 1431270049 /nfs/dbraw/zinc/27/00/49/1431270049.db2.gz QQROQGBVCQFRTH-HNNXBMFYSA-N 0 1 386.801 3.467 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CCc2c1cccc2Cl ZINC000185902192 1431271069 /nfs/dbraw/zinc/27/10/69/1431271069.db2.gz ANBGNLUXMWSMRW-UHFFFAOYSA-N 0 1 383.839 3.309 20 0 GGADMN COc1ccc(-c2nnc(NC(=O)N3CCN(CC(C)C)CC3)s2)cc1 ZINC000185934559 1431286568 /nfs/dbraw/zinc/28/65/68/1431286568.db2.gz OWKFGICBEOONPC-UHFFFAOYSA-N 0 1 375.498 3.019 20 0 GGADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(F)cc3C(=O)N(C)C)[nH]2)c1 ZINC000185953582 1431293663 /nfs/dbraw/zinc/29/36/63/1431293663.db2.gz BWKZBONOINGIEG-UHFFFAOYSA-N 0 1 396.422 3.487 20 0 GGADMN COCCOc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1 ZINC000185972155 1431301635 /nfs/dbraw/zinc/30/16/35/1431301635.db2.gz IKUCJXMHOLSGQN-UHFFFAOYSA-N 0 1 391.830 3.353 20 0 GGADMN COC(=O)c1cccc2nc(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)[nH]c21 ZINC000185992374 1431306950 /nfs/dbraw/zinc/30/69/50/1431306950.db2.gz LDNLYFFBRBSAMV-UHFFFAOYSA-N 0 1 397.341 3.066 20 0 GGADMN CCN(C)[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)OC)cc1)c1ccccc1 ZINC000186001275 1431308509 /nfs/dbraw/zinc/30/85/09/1431308509.db2.gz HONSCDBYEJICHD-HRAATJIYSA-N 0 1 384.476 3.109 20 0 GGADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000186015635 1431311857 /nfs/dbraw/zinc/31/18/57/1431311857.db2.gz QFUKVDGDUSAMBZ-WMLDXEAASA-N 0 1 399.495 3.237 20 0 GGADMN C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)c(F)c(F)c1 ZINC000186033859 1431315358 /nfs/dbraw/zinc/31/53/58/1431315358.db2.gz QXCGOPCPWJDRDX-LBPRGKRZSA-N 0 1 384.423 3.495 20 0 GGADMN COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000186038748 1431317359 /nfs/dbraw/zinc/31/73/59/1431317359.db2.gz JDVHCDJNWVIWNR-KGLIPLIRSA-N 0 1 388.468 3.263 20 0 GGADMN C[C@@]1(Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000186041867 1431317612 /nfs/dbraw/zinc/31/76/12/1431317612.db2.gz NCPHWMAAFRPNIA-QFIPXVFZSA-N 0 1 397.544 3.300 20 0 GGADMN CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000186041968 1431318176 /nfs/dbraw/zinc/31/81/76/1431318176.db2.gz GFENNHHWOUAZLV-MRXNPFEDSA-N 0 1 379.485 3.199 20 0 GGADMN CC[C@H]1Cc2ccccc2CN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000186042067 1431318411 /nfs/dbraw/zinc/31/84/11/1431318411.db2.gz IQVFXECEYVOYJW-KRWDZBQOSA-N 0 1 393.512 3.439 20 0 GGADMN Cn1c2nnc(CN3CCC[C@]3(C)Cc3ccccc3)n2c2ccccc2c1=O ZINC000186044632 1431318881 /nfs/dbraw/zinc/31/88/81/1431318881.db2.gz ULSHEKFNXHZCGO-HSZRJFAPSA-N 0 1 387.487 3.178 20 0 GGADMN Cn1c2nnc(CN3CCC[C@@]3(C)Cc3ccccc3)n2c2ccsc2c1=O ZINC000186045802 1431319057 /nfs/dbraw/zinc/31/90/57/1431319057.db2.gz FAOPYRLLIUQIBK-NRFANRHFSA-N 0 1 393.516 3.240 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000186062231 1431322062 /nfs/dbraw/zinc/32/20/62/1431322062.db2.gz SKFPLXYMJRPXHV-GOSISDBHSA-N 0 1 391.581 3.229 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](NCC1(C(=O)OC)CC1)c1ccccc1 ZINC000186065724 1431323074 /nfs/dbraw/zinc/32/30/74/1431323074.db2.gz JYPAGRYDMZYTPE-IBGZPJMESA-N 0 1 382.460 3.308 20 0 GGADMN O=C(CCN1CCC(C(=O)C(F)(F)F)CC1)N[C@H]1CCCc2ccccc21 ZINC000186067352 1431323445 /nfs/dbraw/zinc/32/34/45/1431323445.db2.gz IKBXZXXVSRJVEK-KRWDZBQOSA-N 0 1 382.426 3.414 20 0 GGADMN Cc1ccc(SC[C@@H](C)NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000186068518 1431323824 /nfs/dbraw/zinc/32/38/24/1431323824.db2.gz PILZLBQJTXUUOG-RTBURBONSA-N 0 1 391.581 3.229 20 0 GGADMN CCOc1cccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)c1OC(F)F ZINC000186074311 1431325121 /nfs/dbraw/zinc/32/51/21/1431325121.db2.gz ACFYUNVQUCGKMX-UHFFFAOYSA-N 0 1 388.374 3.402 20 0 GGADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000186085679 1431327199 /nfs/dbraw/zinc/32/71/99/1431327199.db2.gz XEIWUHUDYNNDLC-NZSAHSFTSA-N 0 1 392.565 3.069 20 0 GGADMN C[C@H](CNC(=O)NCC[C@](C)(O)c1ccccc1)N1CCc2ccccc2C1 ZINC000186098609 1431330047 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CC(=O)NC1(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CCCCC1 ZINC000186123162 1431335350 /nfs/dbraw/zinc/33/53/50/1431335350.db2.gz WFVAYBWLBNAFMM-KRWDZBQOSA-N 0 1 399.457 3.263 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(C(F)(F)F)c1 ZINC000186124504 1431335867 /nfs/dbraw/zinc/33/58/67/1431335867.db2.gz KVQFZRGAYKAWPW-WMZOPIPTSA-N 0 1 378.394 3.428 20 0 GGADMN Cc1[nH]nc2ncc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)cc12 ZINC000186126569 1431336375 /nfs/dbraw/zinc/33/63/75/1431336375.db2.gz MDFLFABUKVENNK-MRXNPFEDSA-N 0 1 391.397 3.318 20 0 GGADMN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc(-c2nnc[nH]2)cc1 ZINC000186126629 1431336523 /nfs/dbraw/zinc/33/65/23/1431336523.db2.gz PZQFBELMNQIPJO-AWEZNQCLSA-N 0 1 377.231 3.242 20 0 GGADMN CN(C)[C@@H](CNC(=O)CCC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000186128440 1431337011 /nfs/dbraw/zinc/33/70/11/1431337011.db2.gz AABHPOASARJZNZ-KRWDZBQOSA-N 0 1 399.457 3.263 20 0 GGADMN CN(C)[C@@H](CNC(=O)Cc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000186130647 1431337290 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395.219 3.359 20 0 GGADMN CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C3(c4ccccc4)CCCC3)C2)CC1 ZINC000186149261 1431341882 /nfs/dbraw/zinc/34/18/82/1431341882.db2.gz WXMHLLAFGOLLSB-RBBKRZOGSA-N 0 1 398.595 3.308 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCCc2nnc(-c3ccccc3)o2)cc1 ZINC000186149214 1431342042 /nfs/dbraw/zinc/34/20/42/1431342042.db2.gz XSCIWLRLDYGTRV-INIZCTEOSA-N 0 1 385.489 3.040 20 0 GGADMN CN1CCN(c2ncccc2CNC(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000186149727 1431342056 /nfs/dbraw/zinc/34/20/56/1431342056.db2.gz LTLKCQJKOHBVLO-UHFFFAOYSA-N 0 1 396.510 3.002 20 0 GGADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000186159383 1431344197 /nfs/dbraw/zinc/34/41/97/1431344197.db2.gz AAELTERXXKZCDC-UHFFFAOYSA-N 0 1 381.867 3.083 20 0 GGADMN C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)C1(c2ccccc2)CCCC1 ZINC000186163057 1431345058 /nfs/dbraw/zinc/34/50/58/1431345058.db2.gz FWQNOWJWJFXZPW-IBGZPJMESA-N 0 1 385.552 3.393 20 0 GGADMN COCc1cccc(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000186166630 1431345314 /nfs/dbraw/zinc/34/53/14/1431345314.db2.gz RWALXVZQIXVDRY-UHFFFAOYSA-N 0 1 387.911 3.419 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)nc(C(F)(F)F)n1 ZINC000186176931 1431346977 /nfs/dbraw/zinc/34/69/77/1431346977.db2.gz BROJBLAQEFOXDR-UHFFFAOYSA-N 0 1 393.413 3.116 20 0 GGADMN C[C@@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1Cl ZINC000186180277 1431347698 /nfs/dbraw/zinc/34/76/98/1431347698.db2.gz WLBMFHPOFXYCRN-DGCLKSJQSA-N 0 1 393.270 3.301 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)n[nH]1 ZINC000186213522 1431354047 /nfs/dbraw/zinc/35/40/47/1431354047.db2.gz FAKMNRHKUDTJOX-GOSISDBHSA-N 0 1 399.882 3.294 20 0 GGADMN CC(C)(O)[C@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000186213481 1431354116 /nfs/dbraw/zinc/35/41/16/1431354116.db2.gz BPSZKKQRCKIDAL-IAGOWNOFSA-N 0 1 399.457 3.225 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N1CCC(Cn2cncn2)CC1)c1ccc2c(c1)CCCC2 ZINC000186215723 1431354702 /nfs/dbraw/zinc/35/47/02/1431354702.db2.gz FXUKRDAMBJYCGV-MSOLQXFVSA-N 0 1 395.551 3.135 20 0 GGADMN COc1ccsc1[C@@H](C)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000186219105 1431355426 /nfs/dbraw/zinc/35/54/26/1431355426.db2.gz PDJNJELHCBAFMD-WBMJQRKESA-N 0 1 376.478 3.230 20 0 GGADMN O=C(CN1CCC(Cn2cncn2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000186222726 1431355766 /nfs/dbraw/zinc/35/57/66/1431355766.db2.gz MSQHYBOQIAEONR-UHFFFAOYSA-N 0 1 389.503 3.224 20 0 GGADMN CCCCOc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)c(Cl)c1 ZINC000186233159 1431358446 /nfs/dbraw/zinc/35/84/46/1431358446.db2.gz WHZQVGZBBUSVKC-UHFFFAOYSA-N 0 1 380.916 3.456 20 0 GGADMN Cc1oc2ccccc2c1CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000186234629 1431358741 /nfs/dbraw/zinc/35/87/41/1431358741.db2.gz SLBNOLPULZJCPR-UHFFFAOYSA-N 0 1 393.468 3.446 20 0 GGADMN C[C@@](O)(CCNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000186234536 1431358843 /nfs/dbraw/zinc/35/88/43/1431358843.db2.gz ZECWJSRHDRQXCR-HSZRJFAPSA-N 0 1 399.510 3.387 20 0 GGADMN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000186239617 1431359719 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COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)n2)cc1 ZINC000186278222 1431370077 /nfs/dbraw/zinc/37/00/77/1431370077.db2.gz QDCQHWFFHZEKTL-KDOFPFPSSA-N 0 1 392.463 3.168 20 0 GGADMN COc1ccc(-c2nc(CNC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)n[nH]2)cc1 ZINC000186278222 1431370083 /nfs/dbraw/zinc/37/00/83/1431370083.db2.gz QDCQHWFFHZEKTL-KDOFPFPSSA-N 0 1 392.463 3.168 20 0 GGADMN CC(C)(C)OCc1cc(C(=O)Nc2ccccc2CN2CCC(O)CC2)no1 ZINC000186280441 1431370695 /nfs/dbraw/zinc/37/06/95/1431370695.db2.gz UGNGQPLLCUVVIV-UHFFFAOYSA-N 0 1 387.480 3.199 20 0 GGADMN CN(Cc1nnc[nH]1)C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000186280115 1431370774 /nfs/dbraw/zinc/37/07/74/1431370774.db2.gz SOLFHWAQUOASCG-UHFFFAOYSA-N 0 1 381.436 3.064 20 0 GGADMN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000186283661 1431371320 /nfs/dbraw/zinc/37/13/20/1431371320.db2.gz FIMPQPXRVKPPLP-AWEZNQCLSA-N 0 1 385.830 3.273 20 0 GGADMN CCOC(=O)c1nn(C)cc1CNCCc1ccc(-c2csc(C)n2)s1 ZINC000186299132 1431375209 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0 GGADMN Cc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1Oc1ccncc1 ZINC000186985159 1431582994 /nfs/dbraw/zinc/58/29/94/1431582994.db2.gz BHOGAMHZAVUNGX-QGZVFWFLSA-N 0 1 383.492 3.100 20 0 GGADMN CN(Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000187004126 1431587215 /nfs/dbraw/zinc/58/72/15/1431587215.db2.gz XBHBPRAZGGXTSH-OAQYLSRUSA-N 0 1 377.488 3.223 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)CCc3ncc(C(C)(C)C)o3)n2)c(OC)c1 ZINC000187038529 1431597468 /nfs/dbraw/zinc/59/74/68/1431597468.db2.gz VCRUZHBRNUXYTF-UHFFFAOYSA-N 0 1 399.451 3.346 20 0 GGADMN CCO[C@@H]1C[C@@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C1(CC)CC ZINC000187049681 1431599958 /nfs/dbraw/zinc/59/99/58/1431599958.db2.gz NCXSCQDVQQVGJT-QZTJIDSGSA-N 0 1 389.496 3.014 20 0 GGADMN CCO[C@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCCC3)o2)C1(CC)CC ZINC000187050517 1431599985 /nfs/dbraw/zinc/59/99/85/1431599985.db2.gz LNVXRYOKRUVAKS-SJORKVTESA-N 0 1 384.542 3.138 20 0 GGADMN CCO[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCCC3)o2)C1(CC)CC ZINC000187050577 1431600056 /nfs/dbraw/zinc/60/00/56/1431600056.db2.gz LNVXRYOKRUVAKS-DLBZAZTESA-N 0 1 384.542 3.138 20 0 GGADMN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)c1 ZINC000187083221 1431609193 /nfs/dbraw/zinc/60/91/93/1431609193.db2.gz QMDSROLZEBBSII-UHFFFAOYSA-N 0 1 376.478 3.192 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000187086967 1431610184 /nfs/dbraw/zinc/61/01/84/1431610184.db2.gz NMSVWNJMBYXHSM-GOSISDBHSA-N 0 1 392.459 3.008 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc(OC)c(OC)c1 ZINC000187088136 1431611385 /nfs/dbraw/zinc/61/13/85/1431611385.db2.gz ZSQKNZOGAPXLKP-UHFFFAOYSA-N 0 1 397.924 3.483 20 0 GGADMN Cc1oc2ccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2c1C ZINC000187087339 1431611394 /nfs/dbraw/zinc/61/13/94/1431611394.db2.gz PXURMFWAPOOAKX-IBGZPJMESA-N 0 1 379.460 3.407 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc2c(c1)OCCO2 ZINC000187095740 1431613499 /nfs/dbraw/zinc/61/34/99/1431613499.db2.gz SAEXGYGBUHURDC-UHFFFAOYSA-N 0 1 395.908 3.237 20 0 GGADMN CC(C)(O)CN(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000187107035 1431617279 /nfs/dbraw/zinc/61/72/79/1431617279.db2.gz CHXBGROUEQJKEN-MRXNPFEDSA-N 0 1 399.457 3.225 20 0 GGADMN Cc1cnccc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000187107399 1431617438 /nfs/dbraw/zinc/61/74/38/1431617438.db2.gz XQKDBHJJUYEHOI-GOSISDBHSA-N 0 1 392.425 3.483 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CC1(O)CCCCCC1 ZINC000187110075 1431617936 /nfs/dbraw/zinc/61/79/36/1431617936.db2.gz BGHVLCJRJVDBRD-UHFFFAOYSA-N 0 1 388.556 3.296 20 0 GGADMN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000187115509 1431620334 /nfs/dbraw/zinc/62/03/34/1431620334.db2.gz MCOICBFLAHRTIM-OAHLLOKOSA-N 0 1 398.488 3.069 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)n[nH]2)c(C)c1 ZINC000187120102 1431621304 /nfs/dbraw/zinc/62/13/04/1431621304.db2.gz HIQSEIOEOXVRQX-KKSFZXQISA-N 0 1 392.503 3.309 20 0 GGADMN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC(CN2CCOCC2)CC1 ZINC000187119734 1431621789 /nfs/dbraw/zinc/62/17/89/1431621789.db2.gz MMWDRAMQCDPKDX-FCHUYYIVSA-N 0 1 385.552 3.152 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N[C@H](CCO)c1ccco1 ZINC000187121216 1431621937 /nfs/dbraw/zinc/62/19/37/1431621937.db2.gz GVTJADWFXZCAHH-MSOLQXFVSA-N 0 1 391.899 3.493 20 0 GGADMN CN1C(=O)CCc2cc(CNCc3ccc(OCC(F)(F)F)nc3)ccc21 ZINC000187122441 1431622476 /nfs/dbraw/zinc/62/24/76/1431622476.db2.gz LNFXSIWCAAKUOD-UHFFFAOYSA-N 0 1 379.382 3.222 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000187128101 1431624539 /nfs/dbraw/zinc/62/45/39/1431624539.db2.gz SGUGHSSIHICQCB-INIZCTEOSA-N 0 1 389.496 3.214 20 0 GGADMN CSc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000187135905 1431627232 /nfs/dbraw/zinc/62/72/32/1431627232.db2.gz BTNSSZUWHYJAPW-QGZVFWFLSA-N 0 1 385.533 3.383 20 0 GGADMN CC(C)(CNC(=O)NCCN1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000187139421 1431628275 /nfs/dbraw/zinc/62/82/75/1431628275.db2.gz CWDXIKREIPQEBC-UHFFFAOYSA-N 0 1 387.446 3.005 20 0 GGADMN Cc1c([C@@H](C)NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cnn1C ZINC000187140135 1431628351 /nfs/dbraw/zinc/62/83/51/1431628351.db2.gz SMZYVSXMMGDNNO-SJKOYZFVSA-N 0 1 397.445 3.410 20 0 GGADMN COC(=O)c1ccccc1CCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000187141455 1431628961 /nfs/dbraw/zinc/62/89/61/1431628961.db2.gz QFMKDXKWYVJKEQ-UHFFFAOYSA-N 0 1 394.515 3.183 20 0 GGADMN COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc3occ(C)c3c2)N(C)C)c1 ZINC000187142305 1431629008 /nfs/dbraw/zinc/62/90/08/1431629008.db2.gz WMNDFBMPOONDHH-IBGZPJMESA-N 0 1 395.459 3.107 20 0 GGADMN CC[C@@H](C)[C@@H](NC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1)C(=O)OC ZINC000187145365 1431629705 /nfs/dbraw/zinc/62/97/05/1431629705.db2.gz SSZHIISMRZBVQX-MLGOLLRUSA-N 0 1 375.494 3.181 20 0 GGADMN CCOC(=O)C1CCN(C(=O)CN(C)C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187146823 1431630761 /nfs/dbraw/zinc/63/07/61/1431630761.db2.gz ATGCWCFASBLTOJ-HNNXBMFYSA-N 0 1 380.916 3.177 20 0 GGADMN CN1c2ccc(CNc3ccc(CCN4CCOCC4)cc3)cc2CCC1=O ZINC000187154823 1431632866 /nfs/dbraw/zinc/63/28/66/1431632866.db2.gz IIJVVFQXXSPRAX-UHFFFAOYSA-N 0 1 379.504 3.082 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000187158171 1431633816 /nfs/dbraw/zinc/63/38/16/1431633816.db2.gz PYRIZFYDKVACFB-KGLIPLIRSA-N 0 1 387.446 3.253 20 0 GGADMN O=C(NCCN1CCCOCC1)NCc1ccccc1Sc1ccccc1 ZINC000187158687 1431633828 /nfs/dbraw/zinc/63/38/28/1431633828.db2.gz DHDXZRNLQRRUPB-UHFFFAOYSA-N 0 1 385.533 3.359 20 0 GGADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000187157799 1431634097 /nfs/dbraw/zinc/63/40/97/1431634097.db2.gz WUBTXPQJPUMBRH-KGLIPLIRSA-N 0 1 387.446 3.253 20 0 GGADMN CCN(CC)[C@@H](C(=O)N[C@](C)(CC(=O)OC)c1ccccn1)c1ccccc1 ZINC000187159187 1431634557 /nfs/dbraw/zinc/63/45/57/1431634557.db2.gz CCIBFIWCRYLIRD-IFMALSPDSA-N 0 1 383.492 3.059 20 0 GGADMN CCN(CC)[C@H](C(=O)N[C@](C)(CC(=O)OC)c1ccccn1)c1ccccc1 ZINC000187159170 1431634585 /nfs/dbraw/zinc/63/45/85/1431634585.db2.gz CCIBFIWCRYLIRD-RBBKRZOGSA-N 0 1 383.492 3.059 20 0 GGADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(OC2COC2)cc1 ZINC000187162306 1431634991 /nfs/dbraw/zinc/63/49/91/1431634991.db2.gz XMDBOSUUERMGQQ-IBGZPJMESA-N 0 1 385.464 3.406 20 0 GGADMN COc1ccc(CNC(=O)CNCc2cc(-c3ccncc3)ccc2OC)cc1 ZINC000187163647 1431635441 /nfs/dbraw/zinc/63/54/41/1431635441.db2.gz CQEUTWXIVGGHGF-UHFFFAOYSA-N 0 1 391.471 3.172 20 0 GGADMN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000187181335 1431639482 /nfs/dbraw/zinc/63/94/82/1431639482.db2.gz IPWTVQHEDDLFAH-UHFFFAOYSA-N 0 1 396.222 3.338 20 0 GGADMN CN(C)[C@H](CNC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)c1cccs1 ZINC000187187676 1431640916 /nfs/dbraw/zinc/64/09/16/1431640916.db2.gz RPJONQVEPJVRAA-OAHLLOKOSA-N 0 1 393.509 3.399 20 0 GGADMN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NCCN1CCCOCC1 ZINC000187194132 1431642624 /nfs/dbraw/zinc/64/26/24/1431642624.db2.gz WBSOLCPNBSGOPO-LJQANCHMSA-N 0 1 387.549 3.362 20 0 GGADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1COc2c(cccc2OC)C1 ZINC000187197138 1431644107 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CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1(C)C ZINC000187226448 1431655815 /nfs/dbraw/zinc/65/58/15/1431655815.db2.gz BTCKRUDXEFTSLC-HTAPYJJXSA-N 0 1 397.523 3.143 20 0 GGADMN CN1C(=O)CCc2cc(CN[C@@H]3CCN(c4ccccc4Cl)C3=O)ccc21 ZINC000187231455 1431657803 /nfs/dbraw/zinc/65/78/03/1431657803.db2.gz XYTKBCZJPYZQQE-QGZVFWFLSA-N 0 1 383.879 3.144 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C1CCCC1 ZINC000187239770 1431661096 /nfs/dbraw/zinc/66/10/96/1431661096.db2.gz YYDMDRRRBFUQPB-UHFFFAOYSA-N 0 1 389.459 3.478 20 0 GGADMN CN(C(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C1CCCC1 ZINC000187239770 1431661107 /nfs/dbraw/zinc/66/11/07/1431661107.db2.gz YYDMDRRRBFUQPB-UHFFFAOYSA-N 0 1 389.459 3.478 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000187240061 1431662174 /nfs/dbraw/zinc/66/21/74/1431662174.db2.gz POIZOZDCAIWDBI-CQSZACIVSA-N 0 1 386.443 3.307 20 0 GGADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187252621 1431666664 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CN(C)[C@@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1cccc(F)c1 ZINC000187302368 1431688290 /nfs/dbraw/zinc/68/82/90/1431688290.db2.gz UTEWJRBXBPYLQU-SFHVURJKSA-N 0 1 387.846 3.093 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)n[nH]2)cc1C ZINC000187304574 1431689108 /nfs/dbraw/zinc/68/91/08/1431689108.db2.gz SHCISTPEHQRGPZ-RTBURBONSA-N 0 1 389.521 3.121 20 0 GGADMN O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000187307722 1431690611 /nfs/dbraw/zinc/69/06/11/1431690611.db2.gz HCMRGHPOATVIKC-QGZVFWFLSA-N 0 1 397.441 3.377 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)C1(C)C ZINC000187308608 1431690884 /nfs/dbraw/zinc/69/08/84/1431690884.db2.gz NHBONTCAVSDUKW-KXBFYZLASA-N 0 1 395.475 3.483 20 0 GGADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000187328166 1431698127 /nfs/dbraw/zinc/69/81/27/1431698127.db2.gz TZLUEMTXPXGZGT-CVEARBPZSA-N 0 1 397.523 3.189 20 0 GGADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(c2ccccc2O)CC1 ZINC000187327940 1431698314 /nfs/dbraw/zinc/69/83/14/1431698314.db2.gz SQKPLRXJXPJWJA-UHFFFAOYSA-N 0 1 388.880 3.460 20 0 GGADMN CN1C(=O)CCc2cc(CN[C@H]3CCCN(c4ccccc4F)C3=O)ccc21 ZINC000187343526 1431703613 /nfs/dbraw/zinc/70/36/13/1431703613.db2.gz UVODCPPJGGTFGC-SFHVURJKSA-N 0 1 381.451 3.020 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2nc(-c3ccccc3OC)cs2)C1(C)C ZINC000187348056 1431704495 /nfs/dbraw/zinc/70/44/95/1431704495.db2.gz PZIBULVLQRKJBQ-HNAYVOBHSA-N 0 1 375.494 3.290 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2nc(-c3ccccc3OC)cs2)C1(C)C ZINC000187348016 1431704741 /nfs/dbraw/zinc/70/47/41/1431704741.db2.gz PZIBULVLQRKJBQ-KXBFYZLASA-N 0 1 375.494 3.290 20 0 GGADMN CC(C)C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)C(=O)Nc1nccs1 ZINC000187350258 1431705077 /nfs/dbraw/zinc/70/50/77/1431705077.db2.gz DWADJOBCCJKVQU-INIZCTEOSA-N 0 1 386.521 3.195 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)C1(C)C ZINC000187351319 1431705687 /nfs/dbraw/zinc/70/56/87/1431705687.db2.gz VCFITUBVHJHSSV-AUSIDOKSSA-N 0 1 395.503 3.434 20 0 GGADMN O=C(NCCN1CCCOCC1)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000187353128 1431706535 /nfs/dbraw/zinc/70/65/35/1431706535.db2.gz RSCVATQAXQIDKX-SJLPKXTDSA-N 0 1 399.457 3.363 20 0 GGADMN CCc1ccccc1S(=O)(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000187355223 1431707170 /nfs/dbraw/zinc/70/71/70/1431707170.db2.gz LBIVGBSRGHPMOX-UHFFFAOYSA-N 0 1 388.489 3.294 20 0 GGADMN CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)CC1(O)CCCCCC1 ZINC000187360748 1431708307 /nfs/dbraw/zinc/70/83/07/1431708307.db2.gz IDCPTHOTEXMINV-IBGZPJMESA-N 0 1 387.549 3.366 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1(C)C ZINC000187368737 1431710456 /nfs/dbraw/zinc/71/04/56/1431710456.db2.gz WDXYOEMJBOKSNH-HNAYVOBHSA-N 0 1 377.485 3.344 20 0 GGADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C(C)(F)F)c2)N(C)C)cc1 ZINC000187368747 1431710502 /nfs/dbraw/zinc/71/05/02/1431710502.db2.gz TVPCQMKJBFUJRN-SFHVURJKSA-N 0 1 389.446 3.464 20 0 GGADMN C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CCOCC1 ZINC000187368390 1431710607 /nfs/dbraw/zinc/71/06/07/1431710607.db2.gz VHZNQWDSXXTIIW-SUMWQHHRSA-N 0 1 387.446 3.422 20 0 GGADMN C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C1CCOCC1 ZINC000187368371 1431710725 /nfs/dbraw/zinc/71/07/25/1431710725.db2.gz VHZNQWDSXXTIIW-DYVFJYSZSA-N 0 1 387.446 3.422 20 0 GGADMN CN(C)[C@H](CNC(=O)NCCc1cscn1)c1cccc(C(F)(F)F)c1 ZINC000187373054 1431712351 /nfs/dbraw/zinc/71/23/51/1431712351.db2.gz XWZKCEUNQKJGOW-OAHLLOKOSA-N 0 1 386.443 3.307 20 0 GGADMN COc1cc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)ccc1F ZINC000187374372 1431712831 /nfs/dbraw/zinc/71/28/31/1431712831.db2.gz KBNDCZMVCZKJFK-LJQANCHMSA-N 0 1 399.466 3.035 20 0 GGADMN COc1cc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)ccc1F ZINC000187374327 1431712969 /nfs/dbraw/zinc/71/29/69/1431712969.db2.gz NZFPFNVUYMZTMA-KRWDZBQOSA-N 0 1 396.422 3.321 20 0 GGADMN Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)s1 ZINC000187376209 1431713364 /nfs/dbraw/zinc/71/33/64/1431713364.db2.gz PGXDWNXVSHKECV-MSOLQXFVSA-N 0 1 395.528 3.417 20 0 GGADMN CCOc1cccc2[nH]cc(CC(=O)NC3CCN(Cc4ccccn4)CC3)c21 ZINC000187383063 1431714802 /nfs/dbraw/zinc/71/48/02/1431714802.db2.gz ODSWJNIQVMOPAJ-UHFFFAOYSA-N 0 1 392.503 3.285 20 0 GGADMN Cn1nc(CCNCc2cn(-c3ccc(F)c(Cl)c3)nn2)c2ccccc21 ZINC000187389432 1431716361 /nfs/dbraw/zinc/71/63/61/1431716361.db2.gz INPLKGFOQYFGJR-UHFFFAOYSA-N 0 1 384.846 3.279 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000187407485 1431721233 /nfs/dbraw/zinc/72/12/33/1431721233.db2.gz BPGGVVFZMDGDAE-SJORKVTESA-N 0 1 377.529 3.021 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccccc1OC(F)F ZINC000187408076 1431721275 /nfs/dbraw/zinc/72/12/75/1431721275.db2.gz JNRUNJAAXHFGGB-GDBMZVCRSA-N 0 1 399.482 3.226 20 0 GGADMN CC(C)Oc1cccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000187407694 1431721370 /nfs/dbraw/zinc/72/13/70/1431721370.db2.gz NKTLRASWKOGURE-IRXDYDNUSA-N 0 1 377.529 3.021 20 0 GGADMN O=C(NCc1ccc(Br)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000187420658 1431724528 /nfs/dbraw/zinc/72/45/28/1431724528.db2.gz VXCUYINXURJLRU-NSHDSACASA-N 0 1 394.273 3.127 20 0 GGADMN C[C@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)N1CCc2ccccc2C1 ZINC000187422379 1431725373 /nfs/dbraw/zinc/72/53/73/1431725373.db2.gz VLZVFIXPIDANRJ-GOSISDBHSA-N 0 1 396.506 3.169 20 0 GGADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000187424781 1431725807 /nfs/dbraw/zinc/72/58/07/1431725807.db2.gz XBBIQJPHSBRQEC-UHFFFAOYSA-N 0 1 379.435 3.426 20 0 GGADMN COC(=O)c1ccccc1CCS(=O)(=O)c1nc(Cc2ccccc2)c(C)[nH]1 ZINC000187428938 1431727279 /nfs/dbraw/zinc/72/72/79/1431727279.db2.gz SDTKIUPGUNYRSJ-UHFFFAOYSA-N 0 1 398.484 3.112 20 0 GGADMN COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])cc1 ZINC000187431068 1431727669 /nfs/dbraw/zinc/72/76/69/1431727669.db2.gz YJKNRRANFBILHS-UHFFFAOYSA-N 0 1 394.265 3.339 20 0 GGADMN COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC000187433603 1431728395 /nfs/dbraw/zinc/72/83/95/1431728395.db2.gz BCAHKGYDCNTADW-UHFFFAOYSA-N 0 1 394.265 3.339 20 0 GGADMN COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC000187433603 1431728399 /nfs/dbraw/zinc/72/83/99/1431728399.db2.gz BCAHKGYDCNTADW-UHFFFAOYSA-N 0 1 394.265 3.339 20 0 GGADMN C[C@H](O)C[C@@H]1CCCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187448791 1431733427 /nfs/dbraw/zinc/73/34/27/1431733427.db2.gz YFESOOYSZZPINL-JQFCIGGWSA-N 0 1 387.446 3.253 20 0 GGADMN C[C@@H](c1cnn(C)c1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187451238 1431734110 /nfs/dbraw/zinc/73/41/10/1431734110.db2.gz ZWAFGFSMPIWOPA-SUMWQHHRSA-N 0 1 397.445 3.444 20 0 GGADMN COC[C@H]1CCCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000187451905 1431734726 /nfs/dbraw/zinc/73/47/26/1431734726.db2.gz LPWYQALOHJRUED-YOEHRIQHSA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C(C)(C)O)c1cccc(C(F)(F)F)c1 ZINC000187453774 1431735467 /nfs/dbraw/zinc/73/54/67/1431735467.db2.gz DRKPPYUBTAPPJK-JKSUJKDBSA-N 0 1 387.446 3.253 20 0 GGADMN CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)c1ccco1)c1cccc(C(F)(F)F)c1 ZINC000187457109 1431736528 /nfs/dbraw/zinc/73/65/28/1431736528.db2.gz DTLDTHRHMBOLCR-MAUKXSAKSA-N 0 1 399.413 3.108 20 0 GGADMN Cc1cnccc1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000187458752 1431737378 /nfs/dbraw/zinc/73/73/78/1431737378.db2.gz VUZBKZOBVOEXGZ-UHFFFAOYSA-N 0 1 396.516 3.265 20 0 GGADMN COCC1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187460114 1431737419 /nfs/dbraw/zinc/73/74/19/1431737419.db2.gz WGGYNHXIJQAXOJ-QGZVFWFLSA-N 0 1 387.446 3.376 20 0 GGADMN C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187464335 1431739174 /nfs/dbraw/zinc/73/91/74/1431739174.db2.gz JIWLSEKRTIHBRO-XEZPLFJOSA-N 0 1 375.435 3.014 20 0 GGADMN CN(C)[C@H](CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000187464023 1431739305 /nfs/dbraw/zinc/73/93/05/1431739305.db2.gz FLTFUNAUVXIJDI-CABCVRRESA-N 0 1 386.439 3.089 20 0 GGADMN C[C@@H](O)C[C@@H](C)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187464320 1431739313 /nfs/dbraw/zinc/73/93/13/1431739313.db2.gz JIWLSEKRTIHBRO-IOASZLSFSA-N 0 1 375.435 3.014 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000187465332 1431739696 /nfs/dbraw/zinc/73/96/96/1431739696.db2.gz CEXRIHRCBQTLDF-SJORKVTESA-N 0 1 396.409 3.155 20 0 GGADMN CN(C)[C@@H](CNC(=O)N(C)C[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000187468878 1431740442 /nfs/dbraw/zinc/74/04/42/1431740442.db2.gz GCHWIIQHDYHMRP-YOEHRIQHSA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1 ZINC000187468891 1431740530 /nfs/dbraw/zinc/74/05/30/1431740530.db2.gz GCHWIIQHDYHMRP-WMLDXEAASA-N 0 1 387.446 3.376 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CC[C@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1 ZINC000187469655 1431741169 /nfs/dbraw/zinc/74/11/69/1431741169.db2.gz GDKQRABCNPUVPF-WMZOPIPTSA-N 0 1 385.430 3.130 20 0 GGADMN CC(C)[C@](C)(O)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187471645 1431741483 /nfs/dbraw/zinc/74/14/83/1431741483.db2.gz AORXHYUMYXYWFV-NVXWUHKLSA-N 0 1 375.435 3.014 20 0 GGADMN CC(C)C[C@@H](CO)NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000187472899 1431741825 /nfs/dbraw/zinc/74/18/25/1431741825.db2.gz DAVCWLBXJADLIY-HOTGVXAUSA-N 0 1 375.435 3.014 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC(C)(CO)CC1)c1cccc(C(F)(F)F)c1 ZINC000187473500 1431742315 /nfs/dbraw/zinc/74/23/15/1431742315.db2.gz CNWWHDSNPGOQNN-INIZCTEOSA-N 0 1 387.446 3.112 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1(C)C ZINC000187475590 1431742940 /nfs/dbraw/zinc/74/29/40/1431742940.db2.gz ONUSRETYIZYONI-UWJYYQICSA-N 0 1 385.464 3.311 20 0 GGADMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)C1(C)C ZINC000187487924 1431746513 /nfs/dbraw/zinc/74/65/13/1431746513.db2.gz USBSCCZZUIGTKI-AVRDEDQJSA-N 0 1 387.524 3.030 20 0 GGADMN CCOC(=O)N1CC[C@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000187489948 1431746842 /nfs/dbraw/zinc/74/68/42/1431746842.db2.gz JRBSEPVYUNZGOP-NRFANRHFSA-N 0 1 395.503 3.279 20 0 GGADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)C1(C)C ZINC000187501334 1431749665 /nfs/dbraw/zinc/74/96/65/1431749665.db2.gz DHDOIHVYQLSYTR-MAUKXSAKSA-N 0 1 396.413 3.362 20 0 GGADMN NCc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)co1 ZINC000187505131 1431750757 /nfs/dbraw/zinc/75/07/57/1431750757.db2.gz NMZAWVHFSUNVLN-UHFFFAOYSA-N 0 1 382.382 3.235 20 0 GGADMN CC[C@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CCN1C[C@@H](C)O ZINC000187511096 1431752536 /nfs/dbraw/zinc/75/25/36/1431752536.db2.gz IMZNRZIMQGTYRS-PBHICJAKSA-N 0 1 384.442 3.041 20 0 GGADMN CC[C@@]1(CO)CCCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000187549926 1431764261 /nfs/dbraw/zinc/76/42/61/1431764261.db2.gz YOTWGNAJVYNEGL-YLJYHZDGSA-N 0 1 382.451 3.268 20 0 GGADMN C[C@@H](c1nccs1)N1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000187555483 1431765232 /nfs/dbraw/zinc/76/52/32/1431765232.db2.gz DJFWPWYKUCWYNC-INIZCTEOSA-N 0 1 378.586 3.106 20 0 GGADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)o1 ZINC000187555742 1431765316 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O=C(NCCN1CCCOCC1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000188344747 1431875221 /nfs/dbraw/zinc/87/52/21/1431875221.db2.gz JNMBOEVKTMSVJD-UHFFFAOYSA-N 0 1 390.871 3.371 20 0 GGADMN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC000188347649 1431875619 /nfs/dbraw/zinc/87/56/19/1431875619.db2.gz ZGJPXXYQTCLGRG-OAHLLOKOSA-N 0 1 386.927 3.436 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000188370659 1431877964 /nfs/dbraw/zinc/87/79/64/1431877964.db2.gz QLRRWHAFFYXCPN-PXNSSMCTSA-N 0 1 394.519 3.380 20 0 GGADMN CCN(C)[C@H](C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000188372536 1431878228 /nfs/dbraw/zinc/87/82/28/1431878228.db2.gz HFHIGKRLJJZDLU-IBGZPJMESA-N 0 1 387.524 3.363 20 0 GGADMN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188377859 1431879036 /nfs/dbraw/zinc/87/90/36/1431879036.db2.gz QWURMPYOPIZDFQ-SJLPKXTDSA-N 0 1 377.529 3.023 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)n[nH]2)cc1C ZINC000188378606 1431879054 /nfs/dbraw/zinc/87/90/54/1431879054.db2.gz VUCGKYNWIVFRFH-SFHVURJKSA-N 0 1 380.492 3.072 20 0 GGADMN CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000188381349 1431879232 /nfs/dbraw/zinc/87/92/32/1431879232.db2.gz KPHXINLYUUYCSW-UHFFFAOYSA-N 0 1 395.507 3.465 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCC1(c2cccc(Br)c2)CC1 ZINC000188382968 1431879326 /nfs/dbraw/zinc/87/93/26/1431879326.db2.gz YLPOAYIFNONDNL-UHFFFAOYSA-N 0 1 388.309 3.442 20 0 GGADMN CCOC(C)(C)CNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000188393633 1431880584 /nfs/dbraw/zinc/88/05/84/1431880584.db2.gz BTPZHAKVXXZGJX-MRXNPFEDSA-N 0 1 394.535 3.143 20 0 GGADMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCN[C@H](C)C2)cc1 ZINC000188393235 1431880599 /nfs/dbraw/zinc/88/05/99/1431880599.db2.gz XFWUFIYRKXQGHD-MRXNPFEDSA-N 0 1 383.517 3.160 20 0 GGADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188397095 1431880831 /nfs/dbraw/zinc/88/08/31/1431880831.db2.gz VRYVAFBPVBMTDT-GDBMZVCRSA-N 0 1 390.528 3.031 20 0 GGADMN C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Oc1ccccc1Br ZINC000188410078 1431881807 /nfs/dbraw/zinc/88/18/07/1431881807.db2.gz KWGUIJICCORNQF-LBPRGKRZSA-N 0 1 392.297 3.177 20 0 GGADMN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188418920 1431882586 /nfs/dbraw/zinc/88/25/86/1431882586.db2.gz MNNNHEDYWRTDOI-CQSZACIVSA-N 0 1 378.517 3.031 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000188433801 1431883945 /nfs/dbraw/zinc/88/39/45/1431883945.db2.gz OZMKREJFPGBBPX-LBPRGKRZSA-N 0 1 376.863 3.019 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000188439715 1431884093 /nfs/dbraw/zinc/88/40/93/1431884093.db2.gz FBOOJPQTMHWTHR-GFCCVEGCSA-N 0 1 376.863 3.019 20 0 GGADMN CN1CCN(c2ccc(NC(=O)c3cc(O)ccc3C(F)(F)F)cc2)CC1 ZINC000188452166 1431884969 /nfs/dbraw/zinc/88/49/69/1431884969.db2.gz ZUEFCCXWUBOAKZ-UHFFFAOYSA-N 0 1 379.382 3.415 20 0 GGADMN COC(=O)N1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000188454041 1431885291 /nfs/dbraw/zinc/88/52/91/1431885291.db2.gz PUSDTGMEZBUTAT-YLJYHZDGSA-N 0 1 387.524 3.024 20 0 GGADMN CCc1ccccc1CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000188467671 1431886744 /nfs/dbraw/zinc/88/67/44/1431886744.db2.gz FMOQRYVEHLBVPK-UHFFFAOYSA-N 0 1 381.520 3.056 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000188469988 1431886770 /nfs/dbraw/zinc/88/67/70/1431886770.db2.gz KQFIUTWQCFSPFE-ROUUACIJSA-N 0 1 398.400 3.167 20 0 GGADMN CN(C)[C@@H](CNC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000188469948 1431886802 /nfs/dbraw/zinc/88/68/02/1431886802.db2.gz KQFIUTWQCFSPFE-ZWKOTPCHSA-N 0 1 398.400 3.167 20 0 GGADMN COc1cccc([C@H](CNC(=O)NCCc2ccc(F)c(F)c2)N(C)C)c1 ZINC000188478582 1431887606 /nfs/dbraw/zinc/88/76/06/1431887606.db2.gz HCVIXLUDVWWDGU-IBGZPJMESA-N 0 1 377.435 3.118 20 0 GGADMN CC(=O)Nc1ccc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000188497234 1431889142 /nfs/dbraw/zinc/88/91/42/1431889142.db2.gz TVZACCQPFZIRJR-UHFFFAOYSA-N 0 1 383.467 3.487 20 0 GGADMN C[C@H](NC(=O)c1[nH]nc2c1CNCC2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000188516822 1431891009 /nfs/dbraw/zinc/89/10/09/1431891009.db2.gz PFKRSBRIHUCPNK-AWEZNQCLSA-N 0 1 394.450 3.265 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@@H](C(N)=O)C1 ZINC000188520184 1431891382 /nfs/dbraw/zinc/89/13/82/1431891382.db2.gz LOCSDRZTVOLWGX-DYESRHJHSA-N 0 1 379.504 3.045 20 0 GGADMN C[C@H]1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)[C@H](C(N)=O)C1 ZINC000188520163 1431891420 /nfs/dbraw/zinc/89/14/20/1431891420.db2.gz LOCSDRZTVOLWGX-UWJYYQICSA-N 0 1 379.504 3.045 20 0 GGADMN CCSc1ccc([C@H](C)NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1 ZINC000188519687 1431891523 /nfs/dbraw/zinc/89/15/23/1431891523.db2.gz DZJPHEIKWQMENB-HOTGVXAUSA-N 0 1 379.570 3.346 20 0 GGADMN O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000188527754 1431891995 /nfs/dbraw/zinc/89/19/95/1431891995.db2.gz NLWAGSYLZPDLCW-DENIHFKCSA-N 0 1 381.520 3.218 20 0 GGADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188527449 1431892013 /nfs/dbraw/zinc/89/20/13/1431892013.db2.gz GWAXFNBIVSFVHH-JTQLQIEISA-N 0 1 385.468 3.117 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1ccc(F)cc1 ZINC000188528733 1431892321 /nfs/dbraw/zinc/89/23/21/1431892321.db2.gz GONJITOMVIAXIW-SFHVURJKSA-N 0 1 387.846 3.093 20 0 GGADMN CCCN(C(=O)c1cccc2nn[nH]c21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000188556998 1431894994 /nfs/dbraw/zinc/89/49/94/1431894994.db2.gz YNIXWPRWAIVSGI-UHFFFAOYSA-N 0 1 387.484 3.210 20 0 GGADMN COC(=O)COc1ccc(CN(C)Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000188557395 1431895024 /nfs/dbraw/zinc/89/50/24/1431895024.db2.gz GKHCWJMNMFKTRH-UHFFFAOYSA-N 0 1 397.450 3.254 20 0 GGADMN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000188570745 1431896160 /nfs/dbraw/zinc/89/61/60/1431896160.db2.gz NDZCXSLRMMWSDC-UHFFFAOYSA-N 0 1 397.504 3.176 20 0 GGADMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C(=O)NCc1ccccc1 ZINC000188577106 1431896634 /nfs/dbraw/zinc/89/66/34/1431896634.db2.gz RBOFCNZNTJIVSO-NSHDSACASA-N 0 1 388.880 3.226 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000188581748 1431897251 /nfs/dbraw/zinc/89/72/51/1431897251.db2.gz YQOWQXIRKOXYLC-UHFFFAOYSA-N 0 1 399.457 3.268 20 0 GGADMN O=C(c1cccc2nn[nH]c21)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000188587511 1431897767 /nfs/dbraw/zinc/89/77/67/1431897767.db2.gz CYCNXHOHDIDFHX-VIFPVBQESA-N 0 1 381.383 3.453 20 0 GGADMN O=C(NCCN1CCCOCC1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000188599939 1431898992 /nfs/dbraw/zinc/89/89/92/1431898992.db2.gz YNYYKMSWVRBJJU-UHFFFAOYSA-N 0 1 381.476 3.132 20 0 GGADMN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188605975 1431899430 /nfs/dbraw/zinc/89/94/30/1431899430.db2.gz TYCYJDROZXWWKV-INIZCTEOSA-N 0 1 376.888 3.235 20 0 GGADMN COc1cc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1OCCC(C)C ZINC000188607763 1431899605 /nfs/dbraw/zinc/89/96/05/1431899605.db2.gz PJAPRJNATUBAJI-QGZVFWFLSA-N 0 1 392.540 3.037 20 0 GGADMN COc1ccc(CCCCCC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000188616710 1431902888 /nfs/dbraw/zinc/90/28/88/1431902888.db2.gz ISBNUYFSRQBDDU-GOSISDBHSA-N 0 1 376.541 3.102 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)n[nH]2)cc1C ZINC000188616005 1431903175 /nfs/dbraw/zinc/90/31/75/1431903175.db2.gz VUMMBSJQGRSLEW-FQEVSTJZSA-N 0 1 392.459 3.208 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)[nH]n2)cc1C ZINC000188617883 1431903889 /nfs/dbraw/zinc/90/38/89/1431903889.db2.gz FFAXOAMQUAABQU-UHFFFAOYSA-N 0 1 381.457 3.276 20 0 GGADMN CC1(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CCN(Cc2ccccc2)CC1 ZINC000188618241 1431904445 /nfs/dbraw/zinc/90/44/45/1431904445.db2.gz ILWGITHQNYWENA-UHFFFAOYSA-N 0 1 398.528 3.257 20 0 GGADMN C[C@@H]1CN(C(=O)c2ccccc2COc2ccccc2)CCN1CC(C)(C)O ZINC000188624090 1431906200 /nfs/dbraw/zinc/90/62/00/1431906200.db2.gz FMOQKYIZEJABOJ-GOSISDBHSA-N 0 1 382.504 3.183 20 0 GGADMN Cc1ccc(-n2ncc(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)c2C(C)C)cc1 ZINC000188631857 1431911124 /nfs/dbraw/zinc/91/11/24/1431911124.db2.gz LAQJGMLGQBLJLE-SFHVURJKSA-N 0 1 398.551 3.221 20 0 GGADMN Cc1ccc(C)c(OCCCCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188633551 1431911163 /nfs/dbraw/zinc/91/11/63/1431911163.db2.gz PIGNEWDNMBMLRF-LJQANCHMSA-N 0 1 376.541 3.156 20 0 GGADMN Cc1ccc(C)c(OCCCCC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188633551 1431911177 /nfs/dbraw/zinc/91/11/77/1431911177.db2.gz PIGNEWDNMBMLRF-LJQANCHMSA-N 0 1 376.541 3.156 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)c1[nH]nc3c1CNCC3)[C@@H](c1ccccc1)C2 ZINC000188649299 1431917102 /nfs/dbraw/zinc/91/71/02/1431917102.db2.gz FVGHGWJONLXYTD-OAQYLSRUSA-N 0 1 388.471 3.004 20 0 GGADMN COc1ccc2c(c1)CN(C(=O)c1[nH]nc3c1CNCC3)[C@H](c1ccccc1)C2 ZINC000188649274 1431917398 /nfs/dbraw/zinc/91/73/98/1431917398.db2.gz FVGHGWJONLXYTD-NRFANRHFSA-N 0 1 388.471 3.004 20 0 GGADMN Cc1cc(C)c2c(c1)CN(C(=O)CCn1c(=O)c3ccccc3[nH]c1=S)CC2 ZINC000188648336 1431917459 /nfs/dbraw/zinc/91/74/59/1431917459.db2.gz GRMLLDNXKKMJKA-UHFFFAOYSA-N 0 1 393.512 3.277 20 0 GGADMN C[C@H]1CN(C(=O)CCSc2nc3ccccc3s2)CCN1CC(C)(C)O ZINC000188646863 1431917753 /nfs/dbraw/zinc/91/77/53/1431917753.db2.gz MPZIKWZJTBMTQW-AWEZNQCLSA-N 0 1 393.578 3.082 20 0 GGADMN C[C@H]1CN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)CCN1CC(C)(C)O ZINC000188656249 1431922287 /nfs/dbraw/zinc/92/22/87/1431922287.db2.gz FNXQRIQLVSMDNW-ZDUSSCGKSA-N 0 1 397.441 3.114 20 0 GGADMN Cc1csc(C(=O)Nc2cc(C#N)ccc2O)c1I ZINC000188661568 1431924669 /nfs/dbraw/zinc/92/46/69/1431924669.db2.gz BWTZHBPVXLMJKW-UHFFFAOYSA-N 0 1 384.198 3.491 20 0 GGADMN O=C(c1[nH]nc2c1CNCC2)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000188670472 1431927105 /nfs/dbraw/zinc/92/71/05/1431927105.db2.gz YUOOZVTZBKJSFX-UHFFFAOYSA-N 0 1 393.318 3.457 20 0 GGADMN COc1cccc([C@H](CNC(=O)c2nc(Br)ccc2C)N(C)C)c1 ZINC000188671787 1431927738 /nfs/dbraw/zinc/92/77/38/1431927738.db2.gz NZEKYUUMNHVFAH-HNNXBMFYSA-N 0 1 392.297 3.194 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000188674880 1431929228 /nfs/dbraw/zinc/92/92/28/1431929228.db2.gz YTBLEOQNGAUFCT-KBRIMQKVSA-N 0 1 384.442 3.113 20 0 GGADMN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1n[nH]nc1-c1ccccc1 ZINC000188702771 1431939476 /nfs/dbraw/zinc/93/94/76/1431939476.db2.gz UCNUFVVUVOWBIA-UHFFFAOYSA-N 0 1 390.447 3.029 20 0 GGADMN C[C@@H]1CN(C(=O)COc2ccccc2-c2ccccc2)CCN1CC(C)(C)O ZINC000188704544 1431939524 /nfs/dbraw/zinc/93/95/24/1431939524.db2.gz BEHWJXPJKPVJED-GOSISDBHSA-N 0 1 382.504 3.036 20 0 GGADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1CC(C)(C)O ZINC000188708105 1431940531 /nfs/dbraw/zinc/94/05/31/1431940531.db2.gz PJRUXBUEFNMOGX-KBRIMQKVSA-N 0 1 384.442 3.113 20 0 GGADMN C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CCN1CC(C)(C)O ZINC000188721633 1431945957 /nfs/dbraw/zinc/94/59/57/1431945957.db2.gz YFDAAGZCOGLUOM-OAHLLOKOSA-N 0 1 387.911 3.319 20 0 GGADMN O=C(Cc1n[nH]c2c1CCCC2)NCC1(c2ccccc2Cl)CCOCC1 ZINC000188724364 1431946420 /nfs/dbraw/zinc/94/64/20/1431946420.db2.gz SLNCUZYLMYVXGG-UHFFFAOYSA-N 0 1 387.911 3.349 20 0 GGADMN COC(=O)CCSCc1cccc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000188723924 1431946746 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COc1ccc(CN2CCCN(C(=O)CCc3cccc(N(C)C)c3)CC2)cc1 ZINC000188932794 1432011566 /nfs/dbraw/zinc/01/15/66/1432011566.db2.gz WOELTUMKFWZGHL-UHFFFAOYSA-N 0 1 395.547 3.428 20 0 GGADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000188938842 1432013042 /nfs/dbraw/zinc/01/30/42/1432013042.db2.gz AYNOKYQKQPOCCL-LLVKDONJSA-N 0 1 395.868 3.431 20 0 GGADMN O=C(NCCN1C(=O)Cc2ccccc21)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188940649 1432013420 /nfs/dbraw/zinc/01/34/20/1432013420.db2.gz YMLQMPKYKJPJJB-UHFFFAOYSA-N 0 1 386.864 3.111 20 0 GGADMN Cc1ccc([C@H](CNC(=O)c2cc(C)nc(C(F)(F)F)n2)N2CCCC2)o1 ZINC000188939722 1432013458 /nfs/dbraw/zinc/01/34/58/1432013458.db2.gz SUYWTVZTSDRQAN-AWEZNQCLSA-N 0 1 382.386 3.272 20 0 GGADMN CC(C)CN(Cc1ccccc1Br)C(=O)c1[nH]nc2c1CNCC2 ZINC000188956726 1432016195 /nfs/dbraw/zinc/01/61/95/1432016195.db2.gz CUBPIASVZIFIQK-UHFFFAOYSA-N 0 1 391.313 3.116 20 0 GGADMN O=C(CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)N1CCc2ccccc21 ZINC000188964898 1432017965 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C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC([C@H]2CCCO2)CC1 ZINC000189161468 1432055152 /nfs/dbraw/zinc/05/51/52/1432055152.db2.gz LVLCDEYHBZHHOT-OXJNMPFZSA-N 0 1 385.508 3.031 20 0 GGADMN CCN(C[C@H]1CCN(CN2C[C@H](CC(C)(C)C)CC2=O)C1)CC(F)(F)F ZINC000189162280 1432055692 /nfs/dbraw/zinc/05/56/92/1432055692.db2.gz BQUJNCRRVGRVOP-CVEARBPZSA-N 0 1 377.495 3.435 20 0 GGADMN Cc1cc(C)c2c(c1)[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)CCCO2 ZINC000189163343 1432056394 /nfs/dbraw/zinc/05/63/94/1432056394.db2.gz WPYDWTATMCMXLK-HXUWFJFHSA-N 0 1 389.517 3.073 20 0 GGADMN CC[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1OC(F)F ZINC000189167679 1432056490 /nfs/dbraw/zinc/05/64/90/1432056490.db2.gz NZSZJKZOQORWRE-QGZVFWFLSA-N 0 1 399.459 3.295 20 0 GGADMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000189175790 1432057685 /nfs/dbraw/zinc/05/76/85/1432057685.db2.gz WAYFYLGOWFJVIS-CQSZACIVSA-N 0 1 399.459 3.213 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000189185001 1432060007 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CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189235195 1432068761 /nfs/dbraw/zinc/06/87/61/1432068761.db2.gz CLPYQULEJHNWNH-GOSISDBHSA-N 0 1 382.451 3.137 20 0 GGADMN CC[C@@H]1CN(C(=O)c2cccc(CC(=O)OC)c2)CCN1Cc1ccccc1 ZINC000189237424 1432069085 /nfs/dbraw/zinc/06/90/85/1432069085.db2.gz QRBNREDTEVOHKX-OAQYLSRUSA-N 0 1 380.488 3.139 20 0 GGADMN O=C(NCc1ccc(C(=O)Nc2ccncc2)cc1)c1n[nH]nc1-c1ccccc1 ZINC000189241539 1432069697 /nfs/dbraw/zinc/06/96/97/1432069697.db2.gz WEPNMDFZPUDDCD-UHFFFAOYSA-N 0 1 398.426 3.049 20 0 GGADMN O=C(CCc1cnc[nH]1)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000189243761 1432070283 /nfs/dbraw/zinc/07/02/83/1432070283.db2.gz YYDTVEABMQTJBP-KRWDZBQOSA-N 0 1 390.443 3.056 20 0 GGADMN Cn1ccc(N2CCC[C@@H](NCc3cc(Cl)cc(C(F)(F)F)c3)C2=O)n1 ZINC000189251648 1432071868 /nfs/dbraw/zinc/07/18/68/1432071868.db2.gz FMXRDMHXAOCTTM-CQSZACIVSA-N 0 1 386.805 3.378 20 0 GGADMN O=S(=O)(Nc1ccccc1-n1ccnn1)c1ccc(CC(F)(F)F)cc1 ZINC000189260468 1432073439 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GGADMN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(-c4cccs4)n[nH]3)c2)CC1 ZINC000189325857 1432086290 /nfs/dbraw/zinc/08/62/90/1432086290.db2.gz KIDIORJFZCPESG-UHFFFAOYSA-N 0 1 395.488 3.059 20 0 GGADMN CCc1ccccc1O[C@H](C(=O)NCCN1CCCOCC1)c1ccccc1 ZINC000189376981 1432095904 /nfs/dbraw/zinc/09/59/04/1432095904.db2.gz GMXRYZVRWQPUHS-QFIPXVFZSA-N 0 1 382.504 3.208 20 0 GGADMN CC(C)N1C(=S)N=NC1CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000189381395 1432096420 /nfs/dbraw/zinc/09/64/20/1432096420.db2.gz RFUNEFCTPHEJTP-UHFFFAOYSA-N 0 1 396.929 3.225 20 0 GGADMN O=C(NCCN1CCCOCC1)c1cc(-c2cccs2)nc2ccccc21 ZINC000189383798 1432096592 /nfs/dbraw/zinc/09/65/92/1432096592.db2.gz XFQYRKVYFHZUFA-UHFFFAOYSA-N 0 1 381.501 3.415 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c(F)c1 ZINC000189385649 1432096695 /nfs/dbraw/zinc/09/66/95/1432096695.db2.gz DITWCWIVNOQPHH-UHFFFAOYSA-N 0 1 386.452 3.063 20 0 GGADMN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1n[nH]nc1-c1ccccc1 ZINC000189392951 1432098287 /nfs/dbraw/zinc/09/82/87/1432098287.db2.gz JPXYVVIARQMKCX-CYBMUJFWSA-N 0 1 385.830 3.273 20 0 GGADMN Cc1nnc(SCC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)[nH]1 ZINC000189394188 1432098301 /nfs/dbraw/zinc/09/83/01/1432098301.db2.gz BCRYNBHJVNFPAK-UHFFFAOYSA-N 0 1 388.390 3.211 20 0 GGADMN Cc1n[nH]c(SCC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC000189394188 1432098304 /nfs/dbraw/zinc/09/83/04/1432098304.db2.gz BCRYNBHJVNFPAK-UHFFFAOYSA-N 0 1 388.390 3.211 20 0 GGADMN O=C1OCCN1c1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189399506 1432099199 /nfs/dbraw/zinc/09/91/99/1432099199.db2.gz WWOPYMREBWRMFU-UHFFFAOYSA-N 0 1 380.423 3.317 20 0 GGADMN COc1cc(C(=O)NCCN2CCCOCC2)cc(Cl)c1OCCC(C)C ZINC000189402129 1432099567 /nfs/dbraw/zinc/09/95/67/1432099567.db2.gz NQLOCTKGUVWQOD-UHFFFAOYSA-N 0 1 398.931 3.226 20 0 GGADMN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1n[nH]nc1-c1ccccc1 ZINC000189403770 1432099956 /nfs/dbraw/zinc/09/99/56/1432099956.db2.gz LFVWKGWZDDAKBE-CQSZACIVSA-N 0 1 377.231 3.242 20 0 GGADMN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1n[nH]nc1-c1ccccc1 ZINC000189406254 1432100204 /nfs/dbraw/zinc/10/02/04/1432100204.db2.gz LWKDTXCYWKTRIM-UHFFFAOYSA-N 0 1 392.394 3.023 20 0 GGADMN CCN(Cc1ccccc1)c1ccc(C(=O)NCCN2CCCOCC2)cc1 ZINC000189424366 1432105999 /nfs/dbraw/zinc/10/59/99/1432105999.db2.gz FWCZAZAQIUYNMR-UHFFFAOYSA-N 0 1 381.520 3.165 20 0 GGADMN CCCCOc1c(Cl)cc(C(=O)NCCN2CCCOCC2)cc1OCC ZINC000189433687 1432109977 /nfs/dbraw/zinc/10/99/77/1432109977.db2.gz ZINOAZLWUDJRPG-UHFFFAOYSA-N 0 1 398.931 3.370 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000189447140 1432114424 /nfs/dbraw/zinc/11/44/24/1432114424.db2.gz HVMXNVKBLFAEFS-GOSISDBHSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000189447159 1432114456 /nfs/dbraw/zinc/11/44/56/1432114456.db2.gz HVMXNVKBLFAEFS-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000189449433 1432115642 /nfs/dbraw/zinc/11/56/42/1432115642.db2.gz XVNOTHYZGIIYMT-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000189455798 1432116938 /nfs/dbraw/zinc/11/69/38/1432116938.db2.gz RMRLMCJGDJXSCA-SFHVURJKSA-N 0 1 397.519 3.194 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000189462567 1432120338 /nfs/dbraw/zinc/12/03/38/1432120338.db2.gz ZJWUGGUHVKWBGA-UHFFFAOYSA-N 0 1 378.358 3.303 20 0 GGADMN CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C[C@@H](O)C(F)(F)F ZINC000189470072 1432123633 /nfs/dbraw/zinc/12/36/33/1432123633.db2.gz IDMUESMFSYDAHT-MRXNPFEDSA-N 0 1 398.429 3.063 20 0 GGADMN O=C(NCCN1CCCOCC1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000189473207 1432124869 /nfs/dbraw/zinc/12/48/69/1432124869.db2.gz FQXVIGYRLGWRLT-UHFFFAOYSA-N 0 1 376.403 3.209 20 0 GGADMN O=C(NCCN1CCCOCC1)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000189473050 1432125413 /nfs/dbraw/zinc/12/54/13/1432125413.db2.gz KDRHWAGMUCZRAD-PKTZIBPZSA-N 0 1 394.515 3.208 20 0 GGADMN COC[C@H]1CN(CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000189473685 1432125742 /nfs/dbraw/zinc/12/57/42/1432125742.db2.gz YVOBLJVFJIQBCH-WIYYLYMNSA-N 0 1 382.504 3.018 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NCc1nnc2n1c1ccccc1c(=O)n2CC ZINC000189485923 1432131326 /nfs/dbraw/zinc/13/13/26/1432131326.db2.gz BJXSNAWXUXGIMR-NVXWUHKLSA-N 0 1 385.537 3.218 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000189487955 1432132051 /nfs/dbraw/zinc/13/20/51/1432132051.db2.gz IPPNSLQOZCKDLM-DYVFJYSZSA-N 0 1 377.510 3.094 20 0 GGADMN CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000189487870 1432132364 /nfs/dbraw/zinc/13/23/64/1432132364.db2.gz QBUFKTUIBNXVGY-NEPJUHHUSA-N 0 1 395.550 3.234 20 0 GGADMN CCS[C@H]1CCCC[C@H]1NCc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000189495926 1432135050 /nfs/dbraw/zinc/13/50/50/1432135050.db2.gz BOAKQYOPAROXSG-WBVHZDCISA-N 0 1 385.537 3.044 20 0 GGADMN CCS[C@@H]1CCCC[C@H]1NCc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000189495903 1432135303 /nfs/dbraw/zinc/13/53/03/1432135303.db2.gz BOAKQYOPAROXSG-NVXWUHKLSA-N 0 1 385.537 3.044 20 0 GGADMN Brc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)o1 ZINC000189505915 1432139400 /nfs/dbraw/zinc/13/94/00/1432139400.db2.gz UJUKXCDJHGTNQK-UHFFFAOYSA-N 0 1 390.237 3.493 20 0 GGADMN C[C@@H]1[C@H](NCc2nccn2CC(F)(F)F)CCCN1C(=O)OC(C)(C)C ZINC000189523329 1432147875 /nfs/dbraw/zinc/14/78/75/1432147875.db2.gz ZBGCZSMCJAQVDN-CHWSQXEVSA-N 0 1 376.423 3.323 20 0 GGADMN CCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)C[C@@H](O)C(F)(F)F ZINC000189533751 1432151305 /nfs/dbraw/zinc/15/13/05/1432151305.db2.gz NILUYLPDKNVTSI-CQSZACIVSA-N 0 1 375.366 3.362 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)n2)o1 ZINC000189538982 1432153842 /nfs/dbraw/zinc/15/38/42/1432153842.db2.gz OHFBZVWIMFWNNT-UHFFFAOYSA-N 0 1 387.396 3.243 20 0 GGADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000189572314 1432162964 /nfs/dbraw/zinc/16/29/64/1432162964.db2.gz LRWQIAMATMMJSJ-QZTJIDSGSA-N 0 1 375.557 3.259 20 0 GGADMN CC(C)N1CCN(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000189574534 1432164197 /nfs/dbraw/zinc/16/41/97/1432164197.db2.gz CXYLNUWILIEVRS-HNNXBMFYSA-N 0 1 381.904 3.313 20 0 GGADMN CN(C)C(=O)c1ccc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[nH]1 ZINC000189579523 1432165213 /nfs/dbraw/zinc/16/52/13/1432165213.db2.gz MCGKURGPOLVIMP-UHFFFAOYSA-N 0 1 398.507 3.257 20 0 GGADMN FC(F)COCCN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000189586829 1432167823 /nfs/dbraw/zinc/16/78/23/1432167823.db2.gz KIDYKYGLIGLQOS-NSHDSACASA-N 0 1 378.345 3.209 20 0 GGADMN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000189609212 1432175653 /nfs/dbraw/zinc/17/56/53/1432175653.db2.gz ZSIXUKGCATWZLX-UHFFFAOYSA-N 0 1 391.878 3.283 20 0 GGADMN Cc1ccc(-n2cc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)cn2)c(C)c1 ZINC000189659874 1432194949 /nfs/dbraw/zinc/19/49/49/1432194949.db2.gz PAOWMYZUGXZNRU-LJQANCHMSA-N 0 1 397.523 3.065 20 0 GGADMN CC[C@]1(CO)CCCN1CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000189683905 1432202851 /nfs/dbraw/zinc/20/28/51/1432202851.db2.gz YJLGSEAGVFCXPC-OAQYLSRUSA-N 0 1 385.533 3.245 20 0 GGADMN COc1cc(N[C@H]2CCCN(CCOCC(F)(F)C(F)F)C2)cc(OC)c1 ZINC000189716984 1432212752 /nfs/dbraw/zinc/21/27/52/1432212752.db2.gz XAQMQHRJORSZTH-ZDUSSCGKSA-N 0 1 394.409 3.497 20 0 GGADMN COc1cc(N[C@@H]2CCCN(CCOCC(F)(F)C(F)F)C2)cc(OC)c1 ZINC000189716966 1432212966 /nfs/dbraw/zinc/21/29/66/1432212966.db2.gz XAQMQHRJORSZTH-CYBMUJFWSA-N 0 1 394.409 3.497 20 0 GGADMN CC[C@](C)(O)CN(CC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1 ZINC000189723245 1432214691 /nfs/dbraw/zinc/21/46/91/1432214691.db2.gz NJLMBDVQBJCXOI-QFIPXVFZSA-N 0 1 386.492 3.306 20 0 GGADMN CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000189726448 1432216368 /nfs/dbraw/zinc/21/63/68/1432216368.db2.gz TWNXRGHBIGRMLR-QGZVFWFLSA-N 0 1 394.519 3.429 20 0 GGADMN COc1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000189731685 1432217504 /nfs/dbraw/zinc/21/75/04/1432217504.db2.gz KULCXEGATZHWCO-SFHVURJKSA-N 0 1 390.430 3.263 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)C[C@](C)(O)CC)c1 ZINC000189732080 1432217643 /nfs/dbraw/zinc/21/76/43/1432217643.db2.gz CIAGJMRIXYILRU-HSZRJFAPSA-N 0 1 397.519 3.038 20 0 GGADMN COCCO[C@H]1CCN([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000189733801 1432218548 /nfs/dbraw/zinc/21/85/48/1432218548.db2.gz ZQEHAOJJVOKXTG-RXVVDRJESA-N 0 1 382.504 3.018 20 0 GGADMN O=C1[C@H](NCc2ccc3c(c2)OCCO3)CCCN1Cc1ccc(F)cc1F ZINC000189735702 1432219208 /nfs/dbraw/zinc/21/92/08/1432219208.db2.gz TZHVGYONKHHFGZ-GOSISDBHSA-N 0 1 388.414 3.017 20 0 GGADMN CC[C@](C)(O)CN(CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 ZINC000189735716 1432219326 /nfs/dbraw/zinc/21/93/26/1432219326.db2.gz KEOZDWIVCVVNTO-QFIPXVFZSA-N 0 1 386.492 3.306 20 0 GGADMN C[C@H](NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1nnc[nH]1 ZINC000189741167 1432220129 /nfs/dbraw/zinc/22/01/29/1432220129.db2.gz KXFQPGHYAIVQDJ-AAEUAGOBSA-N 0 1 379.848 3.289 20 0 GGADMN CN1CCCN(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC000189742616 1432221282 /nfs/dbraw/zinc/22/12/82/1432221282.db2.gz AJJRTKJADSCKAO-MRXNPFEDSA-N 0 1 381.904 3.457 20 0 GGADMN Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)s1 ZINC000189749332 1432222988 /nfs/dbraw/zinc/22/29/88/1432222988.db2.gz FLVYEXQIBONPBP-UHFFFAOYSA-N 0 1 386.458 3.089 20 0 GGADMN O=C(CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1)N1CCCC1 ZINC000189750151 1432223306 /nfs/dbraw/zinc/22/33/06/1432223306.db2.gz DQSGIMXHJYLDFO-UHFFFAOYSA-N 0 1 384.499 3.295 20 0 GGADMN CC(=O)c1cc(F)ccc1OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000189754234 1432224328 /nfs/dbraw/zinc/22/43/28/1432224328.db2.gz WLTVBCIWZDRBGW-UHFFFAOYSA-N 0 1 398.478 3.450 20 0 GGADMN CCOC1CC(CCNC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)C1 ZINC000189752571 1432224542 /nfs/dbraw/zinc/22/45/42/1432224542.db2.gz WKEHNZNRTACHEG-AFMYVXGZSA-N 0 1 389.540 3.337 20 0 GGADMN CN(CC1(O)CCOCC1)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000189770771 1432230088 /nfs/dbraw/zinc/23/00/88/1432230088.db2.gz XXKUVSGQOBHLIA-LJQANCHMSA-N 0 1 379.460 3.299 20 0 GGADMN CCn1c2ccccc2c2cc(NC(=O)C(=O)N3CCN4CCC3CC4)ccc21 ZINC000189779494 1432233099 /nfs/dbraw/zinc/23/30/99/1432233099.db2.gz TWXKPLGPKLLXOZ-UHFFFAOYSA-N 0 1 390.487 3.060 20 0 GGADMN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N3CCN4CCC3CC4)c2)C1 ZINC000189783098 1432234549 /nfs/dbraw/zinc/23/45/49/1432234549.db2.gz CFUVUIHMWLBIOO-LAUBAEHRSA-N 0 1 399.535 3.027 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000189794793 1432237364 /nfs/dbraw/zinc/23/73/64/1432237364.db2.gz YWXGGODFPFVCNQ-KRWDZBQOSA-N 0 1 390.491 3.144 20 0 GGADMN Cc1ccnc(-n2nccc2NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000189795517 1432237652 /nfs/dbraw/zinc/23/76/52/1432237652.db2.gz UVMGDDSDCMQRBP-KRWDZBQOSA-N 0 1 382.443 3.139 20 0 GGADMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C)nc1Cl ZINC000189820647 1432244604 /nfs/dbraw/zinc/24/46/04/1432244604.db2.gz YTAKFSIOCHPMFH-KRWDZBQOSA-N 0 1 393.940 3.329 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)CC2 ZINC000189848130 1432252103 /nfs/dbraw/zinc/25/21/03/1432252103.db2.gz UZJJSMJVMYSVFV-ZIAGYGMSSA-N 0 1 395.912 3.184 20 0 GGADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN1CCN(C[C@H](C)O)CC1 ZINC000189850364 1432253346 /nfs/dbraw/zinc/25/33/46/1432253346.db2.gz MYCWDLBAFQWLBB-AWEZNQCLSA-N 0 1 397.350 3.045 20 0 GGADMN O=C(NNC(=O)C1(Cc2ccccc2F)CC1)c1ccc(Br)s1 ZINC000189855356 1432254457 /nfs/dbraw/zinc/25/44/57/1432254457.db2.gz DCMZQSKGNGZDDX-UHFFFAOYSA-N 0 1 397.269 3.434 20 0 GGADMN C[C@@H](c1nnnn1C1CCCCC1)N1CCC(CCCN2CCOCC2)CC1 ZINC000189878344 1432260365 /nfs/dbraw/zinc/26/03/65/1432260365.db2.gz KTCZOPBXSONDGK-SFHVURJKSA-N 0 1 390.576 3.064 20 0 GGADMN CC(C)(O)CN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000189881287 1432261610 /nfs/dbraw/zinc/26/16/10/1432261610.db2.gz BJDSEMBTIUGKSE-UHFFFAOYSA-N 0 1 384.442 3.432 20 0 GGADMN C[C@@H]1CN=C(N2CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)S1 ZINC000189887505 1432263274 /nfs/dbraw/zinc/26/32/74/1432263274.db2.gz AFYXZSUCXADMHP-SNVBAGLBSA-N 0 1 395.941 3.041 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189889045 1432264171 /nfs/dbraw/zinc/26/41/71/1432264171.db2.gz JPHJLJFJMPRTJP-SJORKVTESA-N 0 1 375.557 3.088 20 0 GGADMN C[C@H](NC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000189900225 1432267207 /nfs/dbraw/zinc/26/72/07/1432267207.db2.gz MSXQLZHEHSACIS-FHWLQOOXSA-N 0 1 397.563 3.183 20 0 GGADMN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189907430 1432269537 /nfs/dbraw/zinc/26/95/37/1432269537.db2.gz VVKIWKBOUGBDOJ-KZNAEPCWSA-N 0 1 375.557 3.304 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189910347 1432270773 /nfs/dbraw/zinc/27/07/73/1432270773.db2.gz XJWLHPXJEMOVQK-MOPGFXCFSA-N 0 1 395.547 3.458 20 0 GGADMN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000189917594 1432273771 /nfs/dbraw/zinc/27/37/71/1432273771.db2.gz JZFASQBXUNDOAF-NRFANRHFSA-N 0 1 397.500 3.015 20 0 GGADMN C[C@@H]1CN(CC(=O)N(C2CCCCC2)C2CCCCC2)CCN1CC(C)(C)O ZINC000189942275 1432282971 /nfs/dbraw/zinc/28/29/71/1432282971.db2.gz JCMSMIXCZSCSHX-LJQANCHMSA-N 0 1 393.616 3.257 20 0 GGADMN C[C@](O)(CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 ZINC000189944622 1432284019 /nfs/dbraw/zinc/28/40/19/1432284019.db2.gz KMPMEPFLRWOXSL-KNQAVFIVSA-N 0 1 385.508 3.404 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccn([C@@H](C)COC)n2)CCN1Cc1ccccc1 ZINC000189946024 1432284692 /nfs/dbraw/zinc/28/46/92/1432284692.db2.gz CQIWCFQDUIYIFO-PKOBYXMFSA-N 0 1 385.512 3.219 20 0 GGADMN COc1ccc([C@@H](CNC(=O)NCc2ccncc2C)N2CCCCC2)cc1 ZINC000189948737 1432286143 /nfs/dbraw/zinc/28/61/43/1432286143.db2.gz BIIHGQZZEXKJOA-OAQYLSRUSA-N 0 1 382.508 3.425 20 0 GGADMN C[C@@H]1CN(Cc2nc(-c3c(F)cccc3F)cs2)CCN1CC(C)(C)O ZINC000189957685 1432288687 /nfs/dbraw/zinc/28/86/87/1432288687.db2.gz OUYDEMMWYUMKKV-CYBMUJFWSA-N 0 1 381.492 3.365 20 0 GGADMN C[C@H]1CN(Cc2nc(-c3c(F)cccc3F)cs2)CCN1CC(C)(C)O ZINC000189957704 1432289012 /nfs/dbraw/zinc/28/90/12/1432289012.db2.gz OUYDEMMWYUMKKV-ZDUSSCGKSA-N 0 1 381.492 3.365 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@]12CCOC2=O)c1ccccc1Cl ZINC000189969191 1432292840 /nfs/dbraw/zinc/29/28/40/1432292840.db2.gz ZQJIVWUQTVXIFN-FXAWDEMLSA-N 0 1 393.915 3.214 20 0 GGADMN COc1ccc(OCc2ccccn2)c(CN2CCC(Cn3cncn3)CC2)c1 ZINC000189976023 1432295497 /nfs/dbraw/zinc/29/54/97/1432295497.db2.gz OJHPESOYRFFFCD-UHFFFAOYSA-N 0 1 393.491 3.173 20 0 GGADMN CC[C@]1(CO)CCCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000189980290 1432297247 /nfs/dbraw/zinc/29/72/47/1432297247.db2.gz BNJIWJHUVNKVRC-IRLDBZIGSA-N 0 1 389.540 3.026 20 0 GGADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc2c1OCO2 ZINC000189982957 1432298715 /nfs/dbraw/zinc/29/87/15/1432298715.db2.gz ACPFJJFMBMWHLQ-OAHLLOKOSA-N 0 1 388.489 3.148 20 0 GGADMN Cc1cccn2c(CN(C)[C@@H](C)c3cccc(N4CCCS4(=O)=O)c3)cnc12 ZINC000189984436 1432299360 /nfs/dbraw/zinc/29/93/60/1432299360.db2.gz KTZVAZYNYIPLGI-KRWDZBQOSA-N 0 1 398.532 3.376 20 0 GGADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cccc2nccn21 ZINC000189983891 1432299471 /nfs/dbraw/zinc/29/94/71/1432299471.db2.gz PRMDYANIFKZNPP-INIZCTEOSA-N 0 1 384.505 3.067 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2ccccc2-c2ccccc2)C1(C)C ZINC000189987428 1432300271 /nfs/dbraw/zinc/30/02/71/1432300271.db2.gz RLAUVCFCBDIPPT-NFBKMPQASA-N 0 1 382.504 3.448 20 0 GGADMN CCO[C@H]1C[C@@](CO)(NCC(=O)Nc2ccccc2-c2ccccc2)C1(C)C ZINC000189987413 1432300326 /nfs/dbraw/zinc/30/03/26/1432300326.db2.gz RLAUVCFCBDIPPT-REWPJTCUSA-N 0 1 382.504 3.448 20 0 GGADMN CCO[C@@H]1C[C@](CO)(NCC(=O)Nc2ccc(SC(F)F)cc2)C1(C)C ZINC000190002460 1432302245 /nfs/dbraw/zinc/30/22/45/1432302245.db2.gz PFVDIQANWVDEKE-RDTXWAMCSA-N 0 1 388.480 3.096 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000190000234 1432302377 /nfs/dbraw/zinc/30/23/77/1432302377.db2.gz YRZAOZUYQOYJOU-OAHLLOKOSA-N 0 1 388.462 3.427 20 0 GGADMN CCO[C@H]1C[C@](CO)(NCc2csc(-c3ccccc3OC)n2)C1(C)C ZINC000190004458 1432302708 /nfs/dbraw/zinc/30/27/08/1432302708.db2.gz TZTSWKQFHLTFQQ-FXAWDEMLSA-N 0 1 376.522 3.474 20 0 GGADMN CCS[C@H]1CCCC[C@@H]1NCc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000190022792 1432306587 /nfs/dbraw/zinc/30/65/87/1432306587.db2.gz HKUBJHOPGZVVPV-GJZGRUSLSA-N 0 1 383.468 3.418 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(O)cc1C ZINC000190027937 1432307566 /nfs/dbraw/zinc/30/75/66/1432307566.db2.gz VFGIILUKTICSMD-UHFFFAOYSA-N 0 1 384.480 3.495 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000190048254 1432310936 /nfs/dbraw/zinc/31/09/36/1432310936.db2.gz XMVIQVRWISMVEY-LLVKDONJSA-N 0 1 391.846 3.250 20 0 GGADMN CC(C)(O)CN(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000190069254 1432313839 /nfs/dbraw/zinc/31/38/39/1432313839.db2.gz IOUKKJBOMRTRQY-UHFFFAOYSA-N 0 1 379.932 3.249 20 0 GGADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000190069368 1432313951 /nfs/dbraw/zinc/31/39/51/1432313951.db2.gz OXTXAXJBYYNATJ-UHFFFAOYSA-N 0 1 390.427 3.137 20 0 GGADMN O=C(N[C@H]1CCC[C@@H]1CCO)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000190069343 1432313977 /nfs/dbraw/zinc/31/39/77/1432313977.db2.gz FBNRPVDYUXCNRS-APWZRJJASA-N 0 1 379.932 3.155 20 0 GGADMN CC[C@@]1(CO)CCCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000190069303 1432314025 /nfs/dbraw/zinc/31/40/25/1432314025.db2.gz NAOHQTORLVQWGC-OAQYLSRUSA-N 0 1 393.959 3.499 20 0 GGADMN CC1CCN(c2ccc(NC(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)cc2)CC1 ZINC000190080357 1432315761 /nfs/dbraw/zinc/31/57/61/1432315761.db2.gz JQTPXCHOGPLIOT-GOSISDBHSA-N 0 1 388.556 3.232 20 0 GGADMN O=C1C[C@@H](N2CCC([C@H]3CCCO3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000190080922 1432316274 /nfs/dbraw/zinc/31/62/74/1432316274.db2.gz BRGFWUNPYKHXAD-NHCUHLMSSA-N 0 1 378.472 3.363 20 0 GGADMN COC(=O)Cc1cccc(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)n1 ZINC000190109087 1432321530 /nfs/dbraw/zinc/32/15/30/1432321530.db2.gz XATFPKNSYCXIEK-QGZVFWFLSA-N 0 1 395.503 3.079 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCN1CC(C)(C)O ZINC000190135466 1432326236 /nfs/dbraw/zinc/32/62/36/1432326236.db2.gz YPURMCUPHVRVLY-MRXNPFEDSA-N 0 1 375.513 3.317 20 0 GGADMN CCCC(=O)Nc1cccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1C ZINC000190149761 1432328738 /nfs/dbraw/zinc/32/87/38/1432328738.db2.gz RFQGUGOVBFCTIY-OAHLLOKOSA-N 0 1 390.528 3.043 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000190154514 1432329368 /nfs/dbraw/zinc/32/93/68/1432329368.db2.gz MGHITOFCXYWXGJ-NSHDSACASA-N 0 1 377.382 3.153 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190154559 1432329527 /nfs/dbraw/zinc/32/95/27/1432329527.db2.gz FEUIOMLZWBEKHG-NSHDSACASA-N 0 1 377.382 3.153 20 0 GGADMN CC[C@@]1(C)CN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CCO1 ZINC000190160712 1432330582 /nfs/dbraw/zinc/33/05/82/1432330582.db2.gz FTDYMPCTSCKGGL-RXVVDRJESA-N 0 1 375.513 3.043 20 0 GGADMN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1[nH]nc2c1CCCCC2 ZINC000190167324 1432331938 /nfs/dbraw/zinc/33/19/38/1432331938.db2.gz GYIVUQCJMLNEMB-UHFFFAOYSA-N 0 1 381.480 3.236 20 0 GGADMN C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCN1CC(C)(C)O ZINC000190174537 1432333681 /nfs/dbraw/zinc/33/36/81/1432333681.db2.gz PIGZLHZGIGNLSJ-LLVKDONJSA-N 0 1 377.382 3.153 20 0 GGADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000190174891 1432333886 /nfs/dbraw/zinc/33/38/86/1432333886.db2.gz LHXGDMBLLBJPRR-NSHDSACASA-N 0 1 377.382 3.153 20 0 GGADMN CN1CCN(Cc2cccc(NC(=O)[C@H]3CCCc4c(O)cccc43)c2)CC1 ZINC000190192862 1432337731 /nfs/dbraw/zinc/33/77/31/1432337731.db2.gz OZQBTCOSTNHBOW-NRFANRHFSA-N 0 1 379.504 3.198 20 0 GGADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(-n3cccn3)cc2C)[nH]n1 ZINC000190194116 1432338114 /nfs/dbraw/zinc/33/81/14/1432338114.db2.gz VERSLWMDWOBEKU-UHFFFAOYSA-N 0 1 375.436 3.173 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190197803 1432339073 /nfs/dbraw/zinc/33/90/73/1432339073.db2.gz BSPWVUROADDUPP-CQSZACIVSA-N 0 1 383.920 3.436 20 0 GGADMN CC(C)Oc1c(Cl)cccc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000190197818 1432339283 /nfs/dbraw/zinc/33/92/83/1432339283.db2.gz BSPWVUROADDUPP-AWEZNQCLSA-N 0 1 383.920 3.436 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc(COC3CCCC3)cc2)CCN1CC(C)(C)O ZINC000190204709 1432340466 /nfs/dbraw/zinc/34/04/66/1432340466.db2.gz HZJVTFFEJJIVTI-KRWDZBQOSA-N 0 1 389.540 3.455 20 0 GGADMN O=C(CCCc1ccccc1)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190204506 1432340628 /nfs/dbraw/zinc/34/06/28/1432340628.db2.gz YYMODQFUKVMQBW-UHFFFAOYSA-N 0 1 386.536 3.087 20 0 GGADMN CC1CCN(c2cccc(NC(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)c2)CC1 ZINC000190204055 1432340653 /nfs/dbraw/zinc/34/06/53/1432340653.db2.gz GLUWTAXFWWVQDF-SFHVURJKSA-N 0 1 388.556 3.232 20 0 GGADMN O=C(c1ccc(Cl)cc1F)N1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190210360 1432341753 /nfs/dbraw/zinc/34/17/53/1432341753.db2.gz QXSJLHWCEJZNKA-UHFFFAOYSA-N 0 1 396.890 3.170 20 0 GGADMN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@H](C)N2CCCCCC2)n1 ZINC000190213467 1432342399 /nfs/dbraw/zinc/34/23/99/1432342399.db2.gz YVRZQRQMZBURCU-GOEBONIOSA-N 0 1 379.526 3.248 20 0 GGADMN CC[C@@]1(CO)CCCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000190218859 1432343303 /nfs/dbraw/zinc/34/33/03/1432343303.db2.gz MFKRVZFZGWCWSD-OAQYLSRUSA-N 0 1 396.959 3.036 20 0 GGADMN O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000190253230 1432349082 /nfs/dbraw/zinc/34/90/82/1432349082.db2.gz WLRWWLSBGKOXQR-UHFFFAOYSA-N 0 1 381.480 3.354 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2c[nH]nc2C2CC2)c1 ZINC000190253230 1432349083 /nfs/dbraw/zinc/34/90/83/1432349083.db2.gz WLRWWLSBGKOXQR-UHFFFAOYSA-N 0 1 381.480 3.354 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000190253230 1432349085 /nfs/dbraw/zinc/34/90/85/1432349085.db2.gz WLRWWLSBGKOXQR-UHFFFAOYSA-N 0 1 381.480 3.354 20 0 GGADMN C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190254333 1432349398 /nfs/dbraw/zinc/34/93/98/1432349398.db2.gz TVVWYYLJOAPVKY-OAHLLOKOSA-N 0 1 395.507 3.036 20 0 GGADMN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2ccc(-c3nnc[nH]3)cc2)n1 ZINC000190258097 1432349833 /nfs/dbraw/zinc/34/98/33/1432349833.db2.gz SEJRESZGFNNDMH-HNNXBMFYSA-N 0 1 397.460 3.082 20 0 GGADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000190288572 1432353938 /nfs/dbraw/zinc/35/39/38/1432353938.db2.gz JDGHDUBCVDRDFC-UHFFFAOYSA-N 0 1 378.837 3.474 20 0 GGADMN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000190303169 1432356498 /nfs/dbraw/zinc/35/64/98/1432356498.db2.gz BTRXIFLCYJGYRF-CKEIUWERSA-N 0 1 387.446 3.253 20 0 GGADMN CC(C)(C(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(Cl)cc1F ZINC000190324362 1432361670 /nfs/dbraw/zinc/36/16/70/1432361670.db2.gz LOOBNJVTHZXWLT-UHFFFAOYSA-N 0 1 382.907 3.328 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)c1cccc(C(F)(F)F)c1 ZINC000190328092 1432362318 /nfs/dbraw/zinc/36/23/18/1432362318.db2.gz QFBWLSJTDKPCLD-HNNXBMFYSA-N 0 1 383.418 3.085 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000190343686 1432364770 /nfs/dbraw/zinc/36/47/70/1432364770.db2.gz CPSMKKAVFYQUSR-CVEARBPZSA-N 0 1 396.384 3.210 20 0 GGADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000190343686 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Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000190376466 1432369798 /nfs/dbraw/zinc/36/97/98/1432369798.db2.gz VJGOLZCKKJECFV-UHFFFAOYSA-N 0 1 390.396 3.337 20 0 GGADMN O=C(NCCc1ccc(F)c(F)c1)NNC(=O)c1c(Cl)cccc1Cl ZINC000190378743 1432370033 /nfs/dbraw/zinc/37/00/33/1432370033.db2.gz INEWTNNNNIHJSJ-UHFFFAOYSA-N 0 1 388.201 3.458 20 0 GGADMN COc1ccc(-c2nc(C)c(C(=O)NC3(c4nnc[nH]4)CCC3)s2)cc1OC ZINC000190379224 1432370144 /nfs/dbraw/zinc/37/01/44/1432370144.db2.gz KLKRFVTXOORFBN-UHFFFAOYSA-N 0 1 399.476 3.063 20 0 GGADMN COc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(OC(C)C)c1 ZINC000190384225 1432371227 /nfs/dbraw/zinc/37/12/27/1432371227.db2.gz RUXMKUUAULVTHA-UHFFFAOYSA-N 0 1 383.492 3.272 20 0 GGADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCSC[C@@H](C)C2)c1 ZINC000190400157 1432374114 /nfs/dbraw/zinc/37/41/14/1432374114.db2.gz LDHHWHWQAGEDAE-MAUKXSAKSA-N 0 1 378.538 3.052 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000190401971 1432374500 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GGADMN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000190434859 1432381232 /nfs/dbraw/zinc/38/12/32/1432381232.db2.gz QSFHBMUKQUADCD-LJQANCHMSA-N 0 1 381.480 3.454 20 0 GGADMN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000190434842 1432381516 /nfs/dbraw/zinc/38/15/16/1432381516.db2.gz QSFHBMUKQUADCD-IBGZPJMESA-N 0 1 381.480 3.454 20 0 GGADMN Cn1ccc2cccc(NC(=O)C(=O)NC[C@H](c3cccs3)N3CCCC3)c21 ZINC000190452647 1432384595 /nfs/dbraw/zinc/38/45/95/1432384595.db2.gz XZDZISXONSPTSS-QGZVFWFLSA-N 0 1 396.516 3.132 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc3ccn(C)c32)N(C)C)cc1 ZINC000190452485 1432384707 /nfs/dbraw/zinc/38/47/07/1432384707.db2.gz PQZWIJLWGAKPLO-FQEVSTJZSA-N 0 1 392.503 3.098 20 0 GGADMN CC[C@]1(CO)CCCN1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000190457982 1432385882 /nfs/dbraw/zinc/38/58/82/1432385882.db2.gz QITUCDMELDFVPP-IFMALSPDSA-N 0 1 389.540 3.169 20 0 GGADMN CC[C@@]1(CO)CCCN1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000190458000 1432385893 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GGADMN Cc1cccn2c(CN[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)cnc12 ZINC000190474793 1432388416 /nfs/dbraw/zinc/38/84/16/1432388416.db2.gz RECPRCJPGOTAML-IBGZPJMESA-N 0 1 384.430 3.202 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N[C@H]2CCCc3c(O)cccc32)N(C)C)c1 ZINC000190473472 1432388678 /nfs/dbraw/zinc/38/86/78/1432388678.db2.gz XBXQDSQVWDARSV-VQTJNVASSA-N 0 1 383.492 3.380 20 0 GGADMN CC(C)(C)n1cc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1 ZINC000190479947 1432389494 /nfs/dbraw/zinc/38/94/94/1432389494.db2.gz YEBHLKOYBJELFU-GOSISDBHSA-N 0 1 376.451 3.197 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCSCC[C@@H]2C)N2CCCC2)c1 ZINC000190484318 1432390324 /nfs/dbraw/zinc/39/03/24/1432390324.db2.gz JWPKGZMVUQQPJD-LPHOPBHVSA-N 0 1 377.554 3.369 20 0 GGADMN COc1cccc([C@@H](CNC(=O)N2CCSCC[C@@H]2C)N2CCCC2)c1 ZINC000190484361 1432390452 /nfs/dbraw/zinc/39/04/52/1432390452.db2.gz JWPKGZMVUQQPJD-QFBILLFUSA-N 0 1 377.554 3.369 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N(CC)Cc2c[nH]c3ccccc23)CC1 ZINC000190488902 1432391211 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0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3[nH]nc4c3CCCCC4)ccc2NC1=O ZINC000190562150 1432407059 /nfs/dbraw/zinc/40/70/59/1432407059.db2.gz AXFSIPBOFWZUHY-SJCJKPOMSA-N 0 1 382.464 3.279 20 0 GGADMN C=CCc1cc(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)c(O)c(OC)c1 ZINC000190588013 1432413738 /nfs/dbraw/zinc/41/37/38/1432413738.db2.gz LRKOUTLSTIPBSV-FQEVSTJZSA-N 0 1 380.488 3.362 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1)c1cc2ccccc2o1 ZINC000190646485 1432430719 /nfs/dbraw/zinc/43/07/19/1432430719.db2.gz XOAUCINRTQCMGT-VYDXJSESSA-N 0 1 380.444 3.428 20 0 GGADMN C[C@H](NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000190647863 1432430945 /nfs/dbraw/zinc/43/09/45/1432430945.db2.gz JCUHQOWMHIHCNC-FFZOFVMBSA-N 0 1 393.487 3.428 20 0 GGADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1c[nH]c(=O)c2ccccc12 ZINC000190663698 1432436272 /nfs/dbraw/zinc/43/62/72/1432436272.db2.gz CIRIGTFRNMDWAI-UHFFFAOYSA-N 0 1 379.485 3.329 20 0 GGADMN N#CC(C(=O)Cc1cccc(OC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000190666651 1432436667 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ZINC000191270821 1432615126 /nfs/dbraw/zinc/61/51/26/1432615126.db2.gz IWVIBURQAKJQBP-HXUWFJFHSA-N 0 1 398.894 3.009 20 0 GGADMN COC(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)O1 ZINC000191277489 1432617933 /nfs/dbraw/zinc/61/79/33/1432617933.db2.gz VGNKLFFHMGFUFO-DLBZAZTESA-N 0 1 383.379 3.028 20 0 GGADMN Cc1ccccc1OCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191308971 1432627991 /nfs/dbraw/zinc/62/79/91/1432627991.db2.gz UKLPNCOQMYZPKK-UHFFFAOYSA-N 0 1 386.443 3.456 20 0 GGADMN COc1ccc2c(c1NC(=O)NC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000191313271 1432628633 /nfs/dbraw/zinc/62/86/33/1432628633.db2.gz XIONLDCRJOWDQD-UHFFFAOYSA-N 0 1 380.492 3.365 20 0 GGADMN COCc1cccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191320897 1432631614 /nfs/dbraw/zinc/63/16/14/1432631614.db2.gz FSQXZIVSQAJRFI-UHFFFAOYSA-N 0 1 386.443 3.416 20 0 GGADMN CC[C@@H]1CN(C(=O)CC2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000191356246 1432639503 /nfs/dbraw/zinc/63/95/03/1432639503.db2.gz KBFMCVNGQFCDHQ-OAQYLSRUSA-N 0 1 386.536 3.433 20 0 GGADMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000191365345 1432642598 /nfs/dbraw/zinc/64/25/98/1432642598.db2.gz XOAUCINRTQCMGT-ZOBUZTSGSA-N 0 1 380.444 3.428 20 0 GGADMN CO[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000191373138 1432644225 /nfs/dbraw/zinc/64/42/25/1432644225.db2.gz UXRMANWCONGNCR-MSOLQXFVSA-N 0 1 379.932 3.419 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cnn(C(C)C)c3C)C2=O)c1 ZINC000191375003 1432644755 /nfs/dbraw/zinc/64/47/55/1432644755.db2.gz VRFHXYQHEFQSRY-VBKZILBWSA-N 0 1 386.496 3.246 20 0 GGADMN O=C(N[C@H]1CCCc2c(O)cccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191391671 1432649491 /nfs/dbraw/zinc/64/94/91/1432649491.db2.gz JRMLZQHZRWDVRR-PBHICJAKSA-N 0 1 381.480 3.354 20 0 GGADMN O=C(N[C@@H]1CCCc2c(O)cccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191391654 1432649577 /nfs/dbraw/zinc/64/95/77/1432649577.db2.gz JRMLZQHZRWDVRR-WMLDXEAASA-N 0 1 381.480 3.354 20 0 GGADMN COCCN(C)c1ccc(CNc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000191392155 1432650182 /nfs/dbraw/zinc/65/01/82/1432650182.db2.gz YRCGTEHPGCVRNK-RTBURBONSA-N 0 1 398.551 3.386 20 0 GGADMN COCCN(C)c1ccc(CNc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000191392141 1432650310 /nfs/dbraw/zinc/65/03/10/1432650310.db2.gz YRCGTEHPGCVRNK-OALUTQOASA-N 0 1 398.551 3.386 20 0 GGADMN CCc1c(NC(=O)CCc2nc[nH]n2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000191400557 1432653854 /nfs/dbraw/zinc/65/38/54/1432653854.db2.gz TZLFLMUKAGYTFQ-UHFFFAOYSA-N 0 1 378.358 3.143 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCSCC[C@@H]3C)c2C1 ZINC000191403509 1432654464 /nfs/dbraw/zinc/65/44/64/1432654464.db2.gz WBURDQGDETYPTF-HOTGVXAUSA-N 0 1 389.565 3.339 20 0 GGADMN NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)C1 ZINC000191421815 1432658693 /nfs/dbraw/zinc/65/86/93/1432658693.db2.gz OVLIODVMCSSFNU-AWEZNQCLSA-N 0 1 391.874 3.494 20 0 GGADMN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)C1 ZINC000191421815 1432658697 /nfs/dbraw/zinc/65/86/97/1432658697.db2.gz OVLIODVMCSSFNU-AWEZNQCLSA-N 0 1 391.874 3.494 20 0 GGADMN CC(C)(C)[C@H](NCc1c(O)ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191463816 1432666442 /nfs/dbraw/zinc/66/64/42/1432666442.db2.gz PTBMGJAMZLCYSB-GFCCVEGCSA-N 0 1 380.811 3.230 20 0 GGADMN CSc1nnc(CCCNC(=O)c2[nH]nc3c2CCCCC3)n1CC(C)C ZINC000191483118 1432669247 /nfs/dbraw/zinc/66/92/47/1432669247.db2.gz NAIJZKHXPDGDFC-UHFFFAOYSA-N 0 1 390.557 3.011 20 0 GGADMN Cc1c([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cnn1C(C)C ZINC000191501877 1432674044 /nfs/dbraw/zinc/67/40/44/1432674044.db2.gz XZZJPXMTOHCCRO-HNNXBMFYSA-N 0 1 376.526 3.163 20 0 GGADMN COc1ccc2c(c1)[C@H](NCCNS(=O)(=O)c1ccc(C)cc1)CCS2 ZINC000191504457 1432674580 /nfs/dbraw/zinc/67/45/80/1432674580.db2.gz MGFNUZJNWITEAD-GOSISDBHSA-N 0 1 392.546 3.109 20 0 GGADMN CCOC(=O)[C@H](NCc1cccc(Br)c1O)c1cccc(O)c1 ZINC000191521816 1432678073 /nfs/dbraw/zinc/67/80/73/1432678073.db2.gz WIJIPVGSDZZEOW-OAHLLOKOSA-N 0 1 380.238 3.254 20 0 GGADMN CCN(C)c1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cn1 ZINC000191527492 1432678519 /nfs/dbraw/zinc/67/85/19/1432678519.db2.gz VHUIWRQGMPUWAV-PZJWPPBQSA-N 0 1 388.943 3.353 20 0 GGADMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2c1C ZINC000191540340 1432680400 /nfs/dbraw/zinc/68/04/00/1432680400.db2.gz REKZSTGMWACUTA-UHFFFAOYSA-N 0 1 378.381 3.253 20 0 GGADMN COc1cccc(-c2noc([C@H](C)NC3CCN(C(=O)C(C)(C)C)CC3)n2)c1 ZINC000191562653 1432683762 /nfs/dbraw/zinc/68/37/62/1432683762.db2.gz WBWFCXIDLBWVGK-AWEZNQCLSA-N 0 1 386.496 3.433 20 0 GGADMN CC(C)(C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Cl)cc1F ZINC000191599174 1432689827 /nfs/dbraw/zinc/68/98/27/1432689827.db2.gz XNVLWPMVURVPFL-HNNXBMFYSA-N 0 1 382.907 3.328 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC(c2ccncc2)CC1 ZINC000191605143 1432691127 /nfs/dbraw/zinc/69/11/27/1432691127.db2.gz WFEMKNQQYHDSBO-KRWDZBQOSA-N 0 1 392.503 3.415 20 0 GGADMN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(c2ccncc2)CC1 ZINC000191610447 1432692517 /nfs/dbraw/zinc/69/25/17/1432692517.db2.gz SXCOJOKUNKBAQZ-QGZVFWFLSA-N 0 1 376.504 3.490 20 0 GGADMN O=C(CN1CCC(c2ccncc2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000191610371 1432692638 /nfs/dbraw/zinc/69/26/38/1432692638.db2.gz FVQVNDNNXZPLKP-UHFFFAOYSA-N 0 1 375.419 3.179 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N3CCC(c4ccncc4)CC3)C2=O)c1 ZINC000191627713 1432695773 /nfs/dbraw/zinc/69/57/73/1432695773.db2.gz WEQXTAXRRYSOBV-NRFANRHFSA-N 0 1 381.476 3.084 20 0 GGADMN COc1cc(OC)cc(N2CC[C@@H](N3CCC(c4ccncc4)CC3)C2=O)c1 ZINC000191627728 1432695862 /nfs/dbraw/zinc/69/58/62/1432695862.db2.gz WEQXTAXRRYSOBV-OAQYLSRUSA-N 0 1 381.476 3.084 20 0 GGADMN CCc1c(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccccc1C ZINC000191628174 1432695900 /nfs/dbraw/zinc/69/59/00/1432695900.db2.gz NCVHJONKPYRSGT-QZTJIDSGSA-N 0 1 399.539 3.364 20 0 GGADMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ccncc2)CC1 ZINC000191632739 1432696424 /nfs/dbraw/zinc/69/64/24/1432696424.db2.gz UAZNQZGGBHZXST-GOSISDBHSA-N 0 1 394.519 3.125 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ccncc2)CC1 ZINC000191632721 1432696559 /nfs/dbraw/zinc/69/65/59/1432696559.db2.gz UAZNQZGGBHZXST-SFHVURJKSA-N 0 1 394.519 3.125 20 0 GGADMN CCn1nccc1N1CCC[C@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C1=O ZINC000191638801 1432698419 /nfs/dbraw/zinc/69/84/19/1432698419.db2.gz AKSDTVJUVGGYFY-SFHVURJKSA-N 0 1 398.898 3.027 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000191644162 1432699169 /nfs/dbraw/zinc/69/91/69/1432699169.db2.gz YTVIPFFWEKCKRV-PGRDOPGGSA-N 0 1 399.491 3.423 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)CN2CCC(c3ccncc3)CC2)cc1OC ZINC000191644431 1432699176 /nfs/dbraw/zinc/69/91/76/1432699176.db2.gz ZVIXZMZPKYFNGQ-QGZVFWFLSA-N 0 1 397.519 3.464 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(c3ccncc3)CC2)cc1OC ZINC000191645773 1432699590 /nfs/dbraw/zinc/69/95/90/1432699590.db2.gz GTHQVLQEOMLURG-QGZVFWFLSA-N 0 1 397.519 3.325 20 0 GGADMN CC(C)n1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000191661407 1432701673 /nfs/dbraw/zinc/70/16/73/1432701673.db2.gz MSDZBAXCRHAEED-KRWDZBQOSA-N 0 1 380.414 3.487 20 0 GGADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC(c2ccncc2)CC1 ZINC000191660508 1432701802 /nfs/dbraw/zinc/70/18/02/1432701802.db2.gz LHHVUUOOLYNBAO-UHFFFAOYSA-N 0 1 395.503 3.081 20 0 GGADMN COc1cc(NC(=O)CN2CCC[C@@]2(CO)CC(C)C)c(OC)cc1Cl ZINC000191663921 1432701995 /nfs/dbraw/zinc/70/19/95/1432701995.db2.gz XMLUVXUYSWEPQW-IBGZPJMESA-N 0 1 384.904 3.169 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC(c2ccncc2)CC1 ZINC000191668109 1432702853 /nfs/dbraw/zinc/70/28/53/1432702853.db2.gz TYCIUSPVXYRIDP-KRWDZBQOSA-N 0 1 392.503 3.415 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N2CCS[C@@H](C)CC2)N2CCCC2)cc1 ZINC000191673932 1432703175 /nfs/dbraw/zinc/70/31/75/1432703175.db2.gz LHNYHKFPDDNLNW-QFBILLFUSA-N 0 1 377.554 3.369 20 0 GGADMN O=C(CN1CCC(c2ccncc2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000191675517 1432703708 /nfs/dbraw/zinc/70/37/08/1432703708.db2.gz MVWBUQSSTSUFLK-NRFANRHFSA-N 0 1 383.467 3.000 20 0 GGADMN CC(C)(NCC(=O)Nc1ccccc1C(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000191692141 1432707388 /nfs/dbraw/zinc/70/73/88/1432707388.db2.gz ODRDCOAMFDCYFR-UHFFFAOYSA-N 0 1 395.381 3.148 20 0 GGADMN CC[N@H+](C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000191694041 1432707919 /nfs/dbraw/zinc/70/79/19/1432707919.db2.gz RDYBRZZWLMSCGY-KRWDZBQOSA-N 0 1 398.887 3.118 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000191694041 1432707922 /nfs/dbraw/zinc/70/79/22/1432707922.db2.gz RDYBRZZWLMSCGY-KRWDZBQOSA-N 0 1 398.887 3.118 20 0 GGADMN CC[N@H+](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000191694059 1432708214 /nfs/dbraw/zinc/70/82/14/1432708214.db2.gz RDYBRZZWLMSCGY-QGZVFWFLSA-N 0 1 398.887 3.118 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000191694059 1432708222 /nfs/dbraw/zinc/70/82/22/1432708222.db2.gz RDYBRZZWLMSCGY-QGZVFWFLSA-N 0 1 398.887 3.118 20 0 GGADMN Cc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)c(-n2cc(Cl)cn2)n1 ZINC000191720822 1432712322 /nfs/dbraw/zinc/71/23/22/1432712322.db2.gz URGFLQXOROVXLB-UHFFFAOYSA-N 0 1 393.834 3.001 20 0 GGADMN CN(Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191739054 1432715628 /nfs/dbraw/zinc/71/56/28/1432715628.db2.gz KNMIZHOLPODSTJ-DHIUTWEWSA-N 0 1 394.515 3.477 20 0 GGADMN O=C(Nc1cc(F)ccc1OCC1CC1)N1CCN(CC2CCOCC2)CC1 ZINC000191741774 1432716031 /nfs/dbraw/zinc/71/60/31/1432716031.db2.gz PTMXZDRRIJVBDX-UHFFFAOYSA-N 0 1 391.487 3.191 20 0 GGADMN O=C(Nc1cc(F)ccc1OCC1CC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000191760139 1432719509 /nfs/dbraw/zinc/71/95/09/1432719509.db2.gz JHUYALFTUOZAFD-KRWDZBQOSA-N 0 1 391.487 3.191 20 0 GGADMN COC(=O)c1cc2cc(CN(C)[C@H]3CCN(Cc4ccccc4)C3=O)ccc2o1 ZINC000191759394 1432719903 /nfs/dbraw/zinc/71/99/03/1432719903.db2.gz QKKJWJQXTPQTEW-IBGZPJMESA-N 0 1 392.455 3.452 20 0 GGADMN CN(CCCc1nc(-c2ccccc2)no1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191766590 1432720931 /nfs/dbraw/zinc/72/09/31/1432720931.db2.gz RSLOXSMHAWOLGF-FQEVSTJZSA-N 0 1 390.487 3.402 20 0 GGADMN CN(CCC(=O)NCc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191766099 1432721170 /nfs/dbraw/zinc/72/11/70/1432721170.db2.gz OARDDMAOYLUDRJ-HXUWFJFHSA-N 0 1 399.922 3.079 20 0 GGADMN CN(CCC(=O)Nc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191774135 1432722958 /nfs/dbraw/zinc/72/29/58/1432722958.db2.gz BNAXYQQTOHUAEL-LJQANCHMSA-N 0 1 385.895 3.402 20 0 GGADMN CN(CCC(=O)Nc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191774154 1432723104 /nfs/dbraw/zinc/72/31/04/1432723104.db2.gz BNAXYQQTOHUAEL-IBGZPJMESA-N 0 1 385.895 3.402 20 0 GGADMN CCOc1c(OC)cc(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191801359 1432728754 /nfs/dbraw/zinc/72/87/54/1432728754.db2.gz ZBVARFXJJLPUNH-IBGZPJMESA-N 0 1 398.503 3.302 20 0 GGADMN Cc1ccc(Br)nc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000191808593 1432729880 /nfs/dbraw/zinc/72/98/80/1432729880.db2.gz USMMZDUDFJCFEZ-UHFFFAOYSA-N 0 1 389.297 3.157 20 0 GGADMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc(C)cc(C4CC4)n3)cc2F)c1 ZINC000191811618 1432730939 /nfs/dbraw/zinc/73/09/39/1432730939.db2.gz OWFKEMJVKPSTQU-UHFFFAOYSA-N 0 1 387.440 3.096 20 0 GGADMN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)n1 ZINC000191827392 1432733381 /nfs/dbraw/zinc/73/33/81/1432733381.db2.gz BLCZKRCVPISKID-MRXNPFEDSA-N 0 1 397.456 3.139 20 0 GGADMN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)n1 ZINC000191827374 1432733579 /nfs/dbraw/zinc/73/35/79/1432733579.db2.gz BLCZKRCVPISKID-INIZCTEOSA-N 0 1 397.456 3.139 20 0 GGADMN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191828315 1432734000 /nfs/dbraw/zinc/73/40/00/1432734000.db2.gz UPIFYSDRKDAISO-FQEVSTJZSA-N 0 1 392.434 3.089 20 0 GGADMN O=S(=O)(CCO)c1ccc(CNCc2ccccc2OC2CCCC2)cc1 ZINC000191846094 1432738974 /nfs/dbraw/zinc/73/89/74/1432738974.db2.gz NACJKAWLTRHEON-UHFFFAOYSA-N 0 1 389.517 3.064 20 0 GGADMN C[C@@H](CNC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)N1CCN(C)CC1 ZINC000191848484 1432739350 /nfs/dbraw/zinc/73/93/50/1432739350.db2.gz SBZMYWAMWXWHLA-OALUTQOASA-N 0 1 381.520 3.192 20 0 GGADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000191885549 1432746935 /nfs/dbraw/zinc/74/69/35/1432746935.db2.gz RPRRTPDZBGKRFA-HOCLYGCPSA-N 0 1 383.423 3.182 20 0 GGADMN COC(=O)C[C@@](C)(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccncc1 ZINC000191903571 1432751492 /nfs/dbraw/zinc/75/14/92/1432751492.db2.gz PNKJLMFTGCZXDR-IFMALSPDSA-N 0 1 384.476 3.208 20 0 GGADMN COC(=O)C[C@@](C)(NCc1ccc(OC(F)F)c(OC)c1)c1ccncc1 ZINC000191903878 1432751897 /nfs/dbraw/zinc/75/18/97/1432751897.db2.gz OKXQKGWUETXWAM-LJQANCHMSA-N 0 1 380.391 3.260 20 0 GGADMN Cc1cccc(C[C@@H](CO)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000191948716 1432763936 /nfs/dbraw/zinc/76/39/36/1432763936.db2.gz VFJUJWNBTMESGE-QFIPXVFZSA-N 0 1 399.510 3.001 20 0 GGADMN Cc1ccc(C[C@H](CO)NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000191948688 1432763951 /nfs/dbraw/zinc/76/39/51/1432763951.db2.gz HXVZXBAJQBKANG-JOCHJYFZSA-N 0 1 399.510 3.001 20 0 GGADMN CCc1c(C(=O)N(CCN(C)C)Cc2cccc(OC)c2)[nH]c(C)c1C(C)=O ZINC000191954320 1432766142 /nfs/dbraw/zinc/76/61/42/1432766142.db2.gz XBJOMAVTBACONG-UHFFFAOYSA-N 0 1 385.508 3.301 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)NCCc1ccc(OC(F)F)cc1 ZINC000191954056 1432766270 /nfs/dbraw/zinc/76/62/70/1432766270.db2.gz ZWNNZGODWZGOAV-QUCCMNQESA-N 0 1 390.430 3.067 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191954313 1432766411 /nfs/dbraw/zinc/76/64/11/1432766411.db2.gz HJLGBTCAALVUTL-IRLDBZIGSA-N 0 1 395.503 3.227 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)NCc1ccc(OC(F)F)cc1 ZINC000191956185 1432766790 /nfs/dbraw/zinc/76/67/90/1432766790.db2.gz REBKJVXCRJVMEC-MJGOQNOKSA-N 0 1 376.403 3.024 20 0 GGADMN CCCOCc1ccccc1CNC(=O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191957688 1432767158 /nfs/dbraw/zinc/76/71/58/1432767158.db2.gz YDFDQGYPRWKUER-GGAORHGYSA-N 0 1 382.504 3.349 20 0 GGADMN Cc1ccc(-c2n[nH]c(NC(=O)CN(C)C(=O)OCc3ccccc3)c2C)o1 ZINC000191960244 1432768010 /nfs/dbraw/zinc/76/80/10/1432768010.db2.gz SXWCTELNXAQKRB-UHFFFAOYSA-N 0 1 382.420 3.494 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cnc3onc(CC)c3c2)[nH]1 ZINC000191963314 1432768485 /nfs/dbraw/zinc/76/84/85/1432768485.db2.gz LBMBFGVYHWOEKB-UHFFFAOYSA-N 0 1 385.424 3.280 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)CCc2nc(C(C)C)no2)[nH]1 ZINC000191962808 1432768624 /nfs/dbraw/zinc/76/86/24/1432768624.db2.gz PDZXGZSVUUPYSR-UHFFFAOYSA-N 0 1 377.445 3.007 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)Nc1ccnn1Cc1cccs1 ZINC000191963161 1432768783 /nfs/dbraw/zinc/76/87/83/1432768783.db2.gz BYZHIHOJUISLFM-XLIONFOSSA-N 0 1 382.489 3.051 20 0 GGADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(-n3cncn3)c(C)c2)[nH]1 ZINC000191962295 1432768813 /nfs/dbraw/zinc/76/88/13/1432768813.db2.gz DAYNUKZBJQXOJO-UHFFFAOYSA-N 0 1 396.451 3.070 20 0 GGADMN Cn1cc([C@H]2CSCCN2C(=O)c2cc(-c3ccccc3Cl)[nH]n2)cn1 ZINC000191987058 1432774924 /nfs/dbraw/zinc/77/49/24/1432774924.db2.gz HPCJVWYWINCDLB-QGZVFWFLSA-N 0 1 387.896 3.394 20 0 GGADMN Cc1ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000191988465 1432775402 /nfs/dbraw/zinc/77/54/02/1432775402.db2.gz BLYYLGAGUFTOST-STQMWFEESA-N 0 1 395.912 3.371 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000191992455 1432776126 /nfs/dbraw/zinc/77/61/26/1432776126.db2.gz JAQIWQDMWRXMPL-INIZCTEOSA-N 0 1 383.492 3.038 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191996093 1432776630 /nfs/dbraw/zinc/77/66/30/1432776630.db2.gz BIHIHQJGDUCZEJ-INIZCTEOSA-N 0 1 389.540 3.009 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000191998532 1432776989 /nfs/dbraw/zinc/77/69/89/1432776989.db2.gz WMEXFCOSRWKPKX-LJQANCHMSA-N 0 1 387.549 3.299 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000191997946 1432777031 /nfs/dbraw/zinc/77/70/31/1432777031.db2.gz JHOSAPYAUUQSQS-JOCHJYFZSA-N 0 1 395.503 3.237 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000191998541 1432777042 /nfs/dbraw/zinc/77/70/42/1432777042.db2.gz WMEXFCOSRWKPKX-IBGZPJMESA-N 0 1 387.549 3.299 20 0 GGADMN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000191999724 1432777118 /nfs/dbraw/zinc/77/71/18/1432777118.db2.gz MBQQRDLPRFYLGV-IRXDYDNUSA-N 0 1 375.513 3.008 20 0 GGADMN C[C@H](c1nc2ccccc2n1C(F)F)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000191998355 1432777127 /nfs/dbraw/zinc/77/71/27/1432777127.db2.gz SYYXTPRBMHSFIC-KGLIPLIRSA-N 0 1 380.439 3.363 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192002288 1432777496 /nfs/dbraw/zinc/77/74/96/1432777496.db2.gz RMXLBKPOIAJTOM-MSOLQXFVSA-N 0 1 389.540 3.316 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000192002320 1432777627 /nfs/dbraw/zinc/77/76/27/1432777627.db2.gz JEDAKITVLLNOMJ-MRXNPFEDSA-N 0 1 377.872 3.366 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192002214 1432777763 /nfs/dbraw/zinc/77/77/63/1432777763.db2.gz YSXXORVOAARMCN-AEFFLSMTSA-N 0 1 383.492 3.038 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000192004936 1432778035 /nfs/dbraw/zinc/77/80/35/1432778035.db2.gz LKHBAJOZLNYCLM-HXUWFJFHSA-N 0 1 383.492 3.032 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000192004988 1432778204 /nfs/dbraw/zinc/77/82/04/1432778204.db2.gz IOVKAVJJBRMARH-HNNXBMFYSA-N 0 1 377.485 3.320 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192010728 1432779003 /nfs/dbraw/zinc/77/90/03/1432779003.db2.gz QFMBZKGZNMSCQK-APWZRJJASA-N 0 1 389.540 3.009 20 0 GGADMN Cc1ccc(-c2noc([C@@H](C)N3CCC[C@H]([N@@H+](C)CC(=O)[O-])CC3)n2)cc1F ZINC000192012265 1432779341 /nfs/dbraw/zinc/77/93/41/1432779341.db2.gz BLBPHPHKWSKOLF-ZBFHGGJFSA-N 0 1 390.459 3.116 20 0 GGADMN COCCOc1ccc(CC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000192014747 1432779732 /nfs/dbraw/zinc/77/97/32/1432779732.db2.gz GQGSWCOTHGXFNL-HXUWFJFHSA-N 0 1 386.492 3.109 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000192014490 1432779749 /nfs/dbraw/zinc/77/97/49/1432779749.db2.gz FFYXATCLJRBVIC-OAQYLSRUSA-N 0 1 395.503 3.310 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000192026942 1432781899 /nfs/dbraw/zinc/78/18/99/1432781899.db2.gz VIEAOOIEBSOCCA-QKMWGZLOSA-N 0 1 399.878 3.133 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000192033438 1432783146 /nfs/dbraw/zinc/78/31/46/1432783146.db2.gz MIRVQGXLDOGIKG-UZLBHIALSA-N 0 1 388.851 3.170 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)NCCOc1cccc(F)c1 ZINC000192035613 1432783371 /nfs/dbraw/zinc/78/33/71/1432783371.db2.gz OXIQETDIMUNZAU-ICSRJNTNSA-N 0 1 392.858 3.094 20 0 GGADMN COCc1ccccc1CNC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192036715 1432783584 /nfs/dbraw/zinc/78/35/84/1432783584.db2.gz SDRYZFZPGUXJSC-PZJWPPBQSA-N 0 1 388.895 3.222 20 0 GGADMN Cc1cccc(OCCNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192041236 1432785054 /nfs/dbraw/zinc/78/50/54/1432785054.db2.gz BKZRHMLQBWDUSU-CTNGQTDRSA-N 0 1 388.895 3.263 20 0 GGADMN COc1cccc(S(=O)(=O)CCN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192043063 1432785583 /nfs/dbraw/zinc/78/55/83/1432785583.db2.gz SBNILPSBKVOVHI-OALUTQOASA-N 0 1 395.908 3.242 20 0 GGADMN COc1ccccc1C[C@H](C)N(C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192044478 1432785704 /nfs/dbraw/zinc/78/57/04/1432785704.db2.gz GMSXETDXEQLTDD-SFHVURJKSA-N 0 1 390.549 3.020 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192045183 1432785875 /nfs/dbraw/zinc/78/58/75/1432785875.db2.gz SPURAVOJAWSDRZ-ICSRJNTNSA-N 0 1 387.867 3.357 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000192045462 1432785879 /nfs/dbraw/zinc/78/58/79/1432785879.db2.gz QJKKBSOACKPTSN-OXQOHEQNSA-N 0 1 390.867 3.416 20 0 GGADMN CC(=O)Nc1cccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192045702 1432785908 /nfs/dbraw/zinc/78/59/08/1432785908.db2.gz DYOLRXSWULSLJB-QUCCMNQESA-N 0 1 387.867 3.357 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192045179 1432785916 /nfs/dbraw/zinc/78/59/16/1432785916.db2.gz SPURAVOJAWSDRZ-QUCCMNQESA-N 0 1 387.867 3.357 20 0 GGADMN COc1ccccc1CCNC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192046014 1432786517 /nfs/dbraw/zinc/78/65/17/1432786517.db2.gz HPSOCBNXQHUARL-WIYYLYMNSA-N 0 1 388.895 3.127 20 0 GGADMN O=C(NC[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1)c1ccccc1 ZINC000192057232 1432789322 /nfs/dbraw/zinc/78/93/22/1432789322.db2.gz CVNBDCBKHOOQHE-DYESRHJHSA-N 0 1 377.488 3.082 20 0 GGADMN COCc1ccc(CNC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192060507 1432790182 /nfs/dbraw/zinc/79/01/82/1432790182.db2.gz LIEVSZUEZFHDJO-CTNGQTDRSA-N 0 1 388.895 3.222 20 0 GGADMN COC(=O)c1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192063524 1432791099 /nfs/dbraw/zinc/79/10/99/1432791099.db2.gz ICQIFDKJRVZIIO-MJGOQNOKSA-N 0 1 388.851 3.185 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000192063871 1432791159 /nfs/dbraw/zinc/79/11/59/1432791159.db2.gz DIWYQVFKBGYTKQ-YLJYHZDGSA-N 0 1 390.867 3.416 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NCc1ccc(F)cc1 ZINC000192069931 1432792291 /nfs/dbraw/zinc/79/22/91/1432792291.db2.gz IWAUVTRNWZMSHV-IEBWSBKVSA-N 0 1 380.822 3.354 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2ncc(F)cc2F)N2CCCCC2)cc1 ZINC000192072235 1432792812 /nfs/dbraw/zinc/79/28/12/1432792812.db2.gz VFADQOXCSPTSDB-SFHVURJKSA-N 0 1 375.419 3.325 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)NCCOc1ccccc1 ZINC000192075239 1432793471 /nfs/dbraw/zinc/79/34/71/1432793471.db2.gz BNIWDNPEHKUINX-AZUAARDMSA-N 0 1 392.858 3.094 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)NC(=O)Nc1ccccc1 ZINC000192083359 1432795136 /nfs/dbraw/zinc/79/51/36/1432795136.db2.gz BAXXTXWPRWXWLC-AEFFLSMTSA-N 0 1 391.830 3.247 20 0 GGADMN COc1ccc(CNC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192102104 1432798614 /nfs/dbraw/zinc/79/86/14/1432798614.db2.gz GSPTZQYDDPQHOM-ICSRJNTNSA-N 0 1 392.858 3.224 20 0 GGADMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NCCc1ccc(Cl)cc1 ZINC000192113100 1432800210 /nfs/dbraw/zinc/80/02/10/1432800210.db2.gz ZKTAPPLINGUKNN-UYAOXDASSA-N 0 1 394.849 3.397 20 0 GGADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)NCCc1ccc(Cl)cc1 ZINC000192113116 1432800234 /nfs/dbraw/zinc/80/02/34/1432800234.db2.gz ZKTAPPLINGUKNN-ICSRJNTNSA-N 0 1 394.849 3.397 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ncc(F)cc1F ZINC000192118944 1432800996 /nfs/dbraw/zinc/80/09/96/1432800996.db2.gz UCJXTUZVFKEUFW-AWEZNQCLSA-N 0 1 385.336 3.383 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCc1ccccc1F ZINC000192119646 1432801029 /nfs/dbraw/zinc/80/10/29/1432801029.db2.gz WNXDZERZAKGJOE-YXKWSERDSA-N 0 1 378.394 3.228 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1=O ZINC000192122814 1432801646 /nfs/dbraw/zinc/80/16/46/1432801646.db2.gz ISUCUCUEMYJRGF-FUHIMQAGSA-N 0 1 388.414 3.199 20 0 GGADMN CCc1c(NC(=O)c2cnc3c(cnn3C)c2O)cnn1-c1ccccc1Cl ZINC000192124378 1432801987 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20 0 GGADMN COc1ccccc1CNC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192134196 1432804096 /nfs/dbraw/zinc/80/40/96/1432804096.db2.gz SUNFVOSGLMZXOY-CYFNAFFESA-N 0 1 390.430 3.098 20 0 GGADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000192134498 1432804352 /nfs/dbraw/zinc/80/43/52/1432804352.db2.gz BJEAIDMZYJOXOP-MJEQTWJJSA-N 0 1 392.368 3.185 20 0 GGADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NCCc1cccs1 ZINC000192136848 1432804709 /nfs/dbraw/zinc/80/47/09/1432804709.db2.gz OXBFHDFYHAJICK-UYHISHBKSA-N 0 1 380.460 3.193 20 0 GGADMN CCc1nc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)sc1C ZINC000192137624 1432804989 /nfs/dbraw/zinc/80/49/89/1432804989.db2.gz DNPQKABVTYVCDT-DOTOQJQBSA-N 0 1 381.448 3.350 20 0 GGADMN C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccnc1Cl ZINC000192140003 1432805260 /nfs/dbraw/zinc/80/52/60/1432805260.db2.gz GVMYLJFKWNWOJW-QSGSBWRWSA-N 0 1 381.810 3.460 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000192142595 1432805955 /nfs/dbraw/zinc/80/59/55/1432805955.db2.gz KAXRSEIHXNUHBW-XLIONFOSSA-N 0 1 392.402 3.040 20 0 GGADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCc2sccc2C1 ZINC000192143404 1432806247 /nfs/dbraw/zinc/80/62/47/1432806247.db2.gz BXAFUQSYELXGJP-QFBILLFUSA-N 0 1 378.444 3.031 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 ZINC000192144360 1432806550 /nfs/dbraw/zinc/80/65/50/1432806550.db2.gz ZPZLDPBVNABIKQ-JOCHJYFZSA-N 0 1 396.487 3.204 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000192143999 1432806560 /nfs/dbraw/zinc/80/65/60/1432806560.db2.gz BUMVOKOINRPGDQ-NJMHRBNOSA-N 0 1 376.541 3.381 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)CC1 ZINC000192144589 1432806652 /nfs/dbraw/zinc/80/66/52/1432806652.db2.gz XFNXAGCIUNXHOC-KRWDZBQOSA-N 0 1 389.540 3.463 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000192145576 1432806897 /nfs/dbraw/zinc/80/68/97/1432806897.db2.gz RZVCFYPGIAIHKD-OAQYLSRUSA-N 0 1 394.515 3.483 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCC(c2ccncc2)CC1 ZINC000192147171 1432807619 /nfs/dbraw/zinc/80/76/19/1432807619.db2.gz NZXIMRCAISMUKL-UHFFFAOYSA-N 0 1 399.401 3.240 20 0 GGADMN C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)N(C)CC(F)(F)F ZINC000192158741 1432809666 /nfs/dbraw/zinc/80/96/66/1432809666.db2.gz ZMGUZHDPFDQNIP-CZUORRHYSA-N 0 1 391.865 3.476 20 0 GGADMN C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N(C)CC(F)(F)F ZINC000192158728 1432809701 /nfs/dbraw/zinc/80/97/01/1432809701.db2.gz ZMGUZHDPFDQNIP-CJNGLKHVSA-N 0 1 391.865 3.476 20 0 GGADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ncc(F)cc2F)cc1 ZINC000192185837 1432813247 /nfs/dbraw/zinc/81/32/47/1432813247.db2.gz WPHNFAXQOXAWEP-UHFFFAOYSA-N 0 1 388.418 3.427 20 0 GGADMN CC(C)(C)n1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000192198248 1432814733 /nfs/dbraw/zinc/81/47/33/1432814733.db2.gz AWVYJVWPANFAJY-LBPRGKRZSA-N 0 1 380.235 3.301 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000192197199 1432814873 /nfs/dbraw/zinc/81/48/73/1432814873.db2.gz FZIIFKDJFMFRHA-AWEZNQCLSA-N 0 1 389.487 3.365 20 0 GGADMN CC(C)(C)n1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000192197798 1432814934 /nfs/dbraw/zinc/81/49/34/1432814934.db2.gz MYWHWIBKGDCEFQ-JTQLQIEISA-N 0 1 380.235 3.301 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000192199687 1432815152 /nfs/dbraw/zinc/81/51/52/1432815152.db2.gz VALGOFOPIJIZAG-CQSZACIVSA-N 0 1 389.487 3.365 20 0 GGADMN CC(C)(C)n1cc(C(=O)OC[C@H]2CCCN(Cc3cc(F)ccc3F)C2)nn1 ZINC000192231319 1432820151 /nfs/dbraw/zinc/82/01/51/1432820151.db2.gz ZJOBFEHCRHVORM-AWEZNQCLSA-N 0 1 392.450 3.380 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCSC[C@H](C)C1 ZINC000192231611 1432820187 /nfs/dbraw/zinc/82/01/87/1432820187.db2.gz OBJVSLLVZKVEQF-MRXNPFEDSA-N 0 1 392.569 3.054 20 0 GGADMN C[C@@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)N(C)CC(F)(F)F ZINC000192239711 1432821185 /nfs/dbraw/zinc/82/11/85/1432821185.db2.gz SACXSHQYGVTFGT-ZFWWWQNUSA-N 0 1 395.429 3.060 20 0 GGADMN C[C@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)N(C)CC(F)(F)F ZINC000192239724 1432821196 /nfs/dbraw/zinc/82/11/96/1432821196.db2.gz SACXSHQYGVTFGT-UKRRQHHQSA-N 0 1 395.429 3.060 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ncc(F)cc2F)CC1 ZINC000192246105 1432822158 /nfs/dbraw/zinc/82/21/58/1432822158.db2.gz DDQGSRAOIYAFMA-ZDUSSCGKSA-N 0 1 392.425 3.132 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ncc(F)cc2F)c1 ZINC000192248338 1432822663 /nfs/dbraw/zinc/82/26/63/1432822663.db2.gz FREOTRIDPGDPCX-UHFFFAOYSA-N 0 1 388.418 3.427 20 0 GGADMN CC(C)Oc1ccc(N(C)C(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000192264456 1432824288 /nfs/dbraw/zinc/82/42/88/1432824288.db2.gz XGNBDVRMTSUGPK-UHFFFAOYSA-N 0 1 382.508 3.044 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 ZINC000192274392 1432826024 /nfs/dbraw/zinc/82/60/24/1432826024.db2.gz GQMOYVNPEWUSLQ-GOEBONIOSA-N 0 1 398.511 3.328 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCSCC[C@@H]1C ZINC000192295073 1432828466 /nfs/dbraw/zinc/82/84/66/1432828466.db2.gz WUXBKVHSXYIKBF-INIZCTEOSA-N 0 1 392.569 3.196 20 0 GGADMN O=C(c1ccoc1Cl)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000192297826 1432828770 /nfs/dbraw/zinc/82/87/70/1432828770.db2.gz LJKYXUCNLMWZQE-MRXNPFEDSA-N 0 1 388.899 3.002 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@@H](C)O1 ZINC000192308521 1432829998 /nfs/dbraw/zinc/82/99/98/1432829998.db2.gz PDUAIKJXGAJMBY-GHMZBOCLSA-N 0 1 375.300 3.196 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C[C@H](C)O1 ZINC000192308512 1432830090 /nfs/dbraw/zinc/83/00/90/1432830090.db2.gz PDUAIKJXGAJMBY-PHIMTYICSA-N 0 1 375.300 3.196 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2cc(Cl)c(N)c(Cl)c2)C1 ZINC000192312664 1432830472 /nfs/dbraw/zinc/83/04/72/1432830472.db2.gz CXQRZPADPAYGAE-GFCCVEGCSA-N 0 1 375.300 3.054 20 0 GGADMN CCCCS(=O)(=O)c1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000192325571 1432832127 /nfs/dbraw/zinc/83/21/27/1432832127.db2.gz SLHIPYFAVHWBAC-UHFFFAOYSA-N 0 1 385.489 3.375 20 0 GGADMN CC(C)c1c(NC(=O)N2CCN(C3CCOCC3)CC2)cnn1-c1ccccc1 ZINC000192330235 1432832686 /nfs/dbraw/zinc/83/26/86/1432832686.db2.gz KGLQFQMWUKFOIS-UHFFFAOYSA-N 0 1 397.523 3.324 20 0 GGADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1nc(Br)cs1 ZINC000192333707 1432833061 /nfs/dbraw/zinc/83/30/61/1432833061.db2.gz UGQFIPFGKLSQEV-ZDUSSCGKSA-N 0 1 380.311 3.300 20 0 GGADMN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1nc(Br)cs1 ZINC000192333701 1432833132 /nfs/dbraw/zinc/83/31/32/1432833132.db2.gz UGQFIPFGKLSQEV-CYBMUJFWSA-N 0 1 380.311 3.300 20 0 GGADMN CC(C)c1c(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cnn1-c1ccccc1 ZINC000192340769 1432833837 /nfs/dbraw/zinc/83/38/37/1432833837.db2.gz ACXYXAUMLUPGDK-SFHVURJKSA-N 0 1 397.523 3.182 20 0 GGADMN COc1ccccc1-c1nc(C2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)no1 ZINC000192341561 1432833935 /nfs/dbraw/zinc/83/39/35/1432833935.db2.gz VYIALXZIBWSJAV-CQSZACIVSA-N 0 1 386.496 3.228 20 0 GGADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cncc(Cl)n2)c1 ZINC000192342482 1432834250 /nfs/dbraw/zinc/83/42/50/1432834250.db2.gz GZDPGUSZMAVTDV-UHFFFAOYSA-N 0 1 387.871 3.197 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@H]2CCCc3c(O)cccc32)c1 ZINC000192346733 1432834670 /nfs/dbraw/zinc/83/46/70/1432834670.db2.gz ITJUSHINOCYDQE-KSSFIOAISA-N 0 1 382.460 3.481 20 0 GGADMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@H]2CCCc3c(O)cccc32)c1 ZINC000192346728 1432834793 /nfs/dbraw/zinc/83/47/93/1432834793.db2.gz ITJUSHINOCYDQE-KDOFPFPSSA-N 0 1 382.460 3.481 20 0 GGADMN C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)N1CCN(c2ccccc2)CC1 ZINC000192349326 1432834881 /nfs/dbraw/zinc/83/48/81/1432834881.db2.gz ZJVASFQVNPNBFJ-UWJYYQICSA-N 0 1 379.504 3.097 20 0 GGADMN COc1ccc(CNC(=O)[C@@H](C)N[C@@H]2CCCc3c(O)cccc32)cc1OC ZINC000192349160 1432834912 /nfs/dbraw/zinc/83/49/12/1432834912.db2.gz LSVNHBUBFUSQCZ-RDTXWAMCSA-N 0 1 384.476 3.081 20 0 GGADMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)C(=O)N1CCN(c2ccccc2)CC1 ZINC000192349331 1432834970 /nfs/dbraw/zinc/83/49/70/1432834970.db2.gz ZJVASFQVNPNBFJ-UTKZUKDTSA-N 0 1 379.504 3.097 20 0 GGADMN COC(=O)c1ccsc1N1CC[C@H](N[C@@H]2CCCc3c(O)cccc32)C1=O ZINC000192350759 1432835214 /nfs/dbraw/zinc/83/52/14/1432835214.db2.gz ZTWSNXZGBFKYHK-CVEARBPZSA-N 0 1 386.473 3.013 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cncc(Cl)n1 ZINC000192351208 1432835320 /nfs/dbraw/zinc/83/53/20/1432835320.db2.gz UYPZYTQHLNNEIN-CYBMUJFWSA-N 0 1 384.789 3.153 20 0 GGADMN O=C(CN[C@H]1CCCc2c(O)cccc21)NCc1ccc(OC(F)F)cc1 ZINC000192359173 1432836473 /nfs/dbraw/zinc/83/64/73/1432836473.db2.gz QRPVGIQQTMGXBD-KRWDZBQOSA-N 0 1 376.403 3.277 20 0 GGADMN O=C(CN[C@@H]1CCCc2c(O)cccc21)NCCc1ccc(OC(F)F)cc1 ZINC000192358344 1432836566 /nfs/dbraw/zinc/83/65/66/1432836566.db2.gz HGAUGOUCKQADED-GOSISDBHSA-N 0 1 390.430 3.320 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000192360114 1432836798 /nfs/dbraw/zinc/83/67/98/1432836798.db2.gz WSIRTYJILNGZDF-FQEVSTJZSA-N 0 1 395.503 3.480 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)N1CCSC[C@@H](C)C1)N1CCCC1 ZINC000192365276 1432837447 /nfs/dbraw/zinc/83/74/47/1432837447.db2.gz DOKFBCRJCPXORM-FUHWJXTLSA-N 0 1 377.554 3.227 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N1CCSC[C@H](C)C1)N1CCCC1 ZINC000192365260 1432837612 /nfs/dbraw/zinc/83/76/12/1432837612.db2.gz DOKFBCRJCPXORM-AEFFLSMTSA-N 0 1 377.554 3.227 20 0 GGADMN CN1CC[C@H](CNC(=O)CCc2ccncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192384388 1432839942 /nfs/dbraw/zinc/83/99/42/1432839942.db2.gz LQXQIYMDICJJDA-KUHUBIRLSA-N 0 1 376.863 3.011 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)CCC(=O)OC(C)(C)C)N1CCCCC1 ZINC000192385320 1432840135 /nfs/dbraw/zinc/84/01/35/1432840135.db2.gz RKVZFESMTLVUFI-SFHVURJKSA-N 0 1 390.524 3.460 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCS[C@@H](C)CC2)N2CCCC2)c1 ZINC000192425477 1432843707 /nfs/dbraw/zinc/84/37/07/1432843707.db2.gz ZZUHNYAMYVTBLB-LPHOPBHVSA-N 0 1 377.554 3.369 20 0 GGADMN C[C@@H](NC(=O)N1CCS[C@@H](C)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000192427348 1432843884 /nfs/dbraw/zinc/84/38/84/1432843884.db2.gz YHNHIMLAVACRIO-JKSUJKDBSA-N 0 1 394.560 3.176 20 0 GGADMN CC(C)c1cnc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000192449021 1432845920 /nfs/dbraw/zinc/84/59/20/1432845920.db2.gz RCRZSMWKSYBRQQ-INIZCTEOSA-N 0 1 386.521 3.158 20 0 GGADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2ncc(C(C)C)s2)N(C)C)cc1 ZINC000192449007 1432845944 /nfs/dbraw/zinc/84/59/44/1432845944.db2.gz LAWMTSYAXFXBAK-INIZCTEOSA-N 0 1 388.537 3.187 20 0 GGADMN COc1c(C)cnc(CN2CCC(N(C)c3ncnc4onc(C)c43)CC2)c1C ZINC000192450514 1432846205 /nfs/dbraw/zinc/84/62/05/1432846205.db2.gz BQYFFUUZSQRLKC-UHFFFAOYSA-N 0 1 396.495 3.047 20 0 GGADMN O=C(c1ccc(F)cc1)C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000192472677 1432848921 /nfs/dbraw/zinc/84/89/21/1432848921.db2.gz RJXLTUDIDKDOAA-IBGZPJMESA-N 0 1 375.415 3.299 20 0 GGADMN C[C@@](N)(C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccccc1 ZINC000192481455 1432849715 /nfs/dbraw/zinc/84/97/15/1432849715.db2.gz VJFCUFFTJFNILG-NRFANRHFSA-N 0 1 390.405 3.399 20 0 GGADMN 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GGADMN COCCNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccccc2SC)c1 ZINC000194894944 1433258923 /nfs/dbraw/zinc/25/89/23/1433258923.db2.gz RERAXPSIGKYXST-HNNXBMFYSA-N 0 1 394.562 3.184 20 0 GGADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCSCC4)c3)[nH]n2)o1 ZINC000194910211 1433262810 /nfs/dbraw/zinc/26/28/10/1433262810.db2.gz OTSQTLCOOSKTLO-UHFFFAOYSA-N 0 1 396.472 3.419 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)NCC1(SC)CC1)N1CCCCC1 ZINC000194912819 1433263554 /nfs/dbraw/zinc/26/35/54/1433263554.db2.gz CHFSWVIKOHFQSC-QGZVFWFLSA-N 0 1 377.554 3.417 20 0 GGADMN CCC[C@@]1(COC)CCCN1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000194927888 1433266083 /nfs/dbraw/zinc/26/60/83/1433266083.db2.gz ZNZQEYCPVSWHRE-FQEVSTJZSA-N 0 1 390.553 3.302 20 0 GGADMN CCC[C@@]1(COC)CCCN1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000194931940 1433267182 /nfs/dbraw/zinc/26/71/82/1433267182.db2.gz PSQRMAIMJOKOOP-NRFANRHFSA-N 0 1 375.513 3.044 20 0 GGADMN CCN1CCN(c2ccccc2NC(=O)c2cc(N3CCCC3)ccn2)CC1 ZINC000194954635 1433272046 /nfs/dbraw/zinc/27/20/46/1433272046.db2.gz RNBSHZHBFUKHJY-UHFFFAOYSA-N 0 1 379.508 3.076 20 0 GGADMN COc1ccc([C@@H](CN[C@H](c2ncc[nH]2)c2cccnc2)N2CCCC2)cc1 ZINC000194964468 1433273359 /nfs/dbraw/zinc/27/33/59/1433273359.db2.gz LXXOVNVOAXHQTE-RTWAWAEBSA-N 0 1 377.492 3.329 20 0 GGADMN CCCCc1nc2ccc(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)cc2[nH]1 ZINC000194967872 1433274046 /nfs/dbraw/zinc/27/40/46/1433274046.db2.gz IHPVMYXKHBOZHG-SMDDNHRTSA-N 0 1 382.386 3.301 20 0 GGADMN CCCCc1nc2ccc(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)cc2[nH]1 ZINC000194967906 1433274064 /nfs/dbraw/zinc/27/40/64/1433274064.db2.gz IHPVMYXKHBOZHG-FZMZJTMJSA-N 0 1 382.386 3.301 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CN[C@H](c3ncc[nH]3)c3cccnc3)cc2)C[C@H](C)O1 ZINC000194973527 1433275153 /nfs/dbraw/zinc/27/51/53/1433275153.db2.gz FGCSLRRCFMZCAU-SVMVAKDDSA-N 0 1 391.519 3.293 20 0 GGADMN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1cccc(F)c1C ZINC000194987063 1433276982 /nfs/dbraw/zinc/27/69/82/1433276982.db2.gz SXVCYZQKNVCSRG-UHFFFAOYSA-N 0 1 395.456 3.423 20 0 GGADMN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1cc(F)ccc1C ZINC000194987269 1433276993 /nfs/dbraw/zinc/27/69/93/1433276993.db2.gz YPLAGTNZEAPIQM-UHFFFAOYSA-N 0 1 395.456 3.423 20 0 GGADMN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000194987622 1433277050 /nfs/dbraw/zinc/27/70/50/1433277050.db2.gz JTLFYKXWOWGLEP-UHFFFAOYSA-N 0 1 395.456 3.423 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1C ZINC000194988230 1433277291 /nfs/dbraw/zinc/27/72/91/1433277291.db2.gz OQGPCJQKWSBIPM-HXUWFJFHSA-N 0 1 396.466 3.361 20 0 GGADMN CN(C)[C@@H](CNC(=O)Nc1cc(F)cc(N2CCOCC2)c1)c1cccs1 ZINC000194990239 1433277665 /nfs/dbraw/zinc/27/76/65/1433277665.db2.gz ONFFWGDVMVDBMJ-KRWDZBQOSA-N 0 1 392.500 3.148 20 0 GGADMN COc1cccc(C2CCN(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000195007159 1433280129 /nfs/dbraw/zinc/28/01/29/1433280129.db2.gz YFACEBNBOYBVEA-ROUUACIJSA-N 0 1 389.540 3.084 20 0 GGADMN O=C(CCCOc1ccc(F)cc1F)NC1CCN(Cc2ccncc2)CC1 ZINC000195032532 1433283338 /nfs/dbraw/zinc/28/33/38/1433283338.db2.gz LTPBLBPIBFFDFX-UHFFFAOYSA-N 0 1 389.446 3.300 20 0 GGADMN O=S(=O)(NC[C@H](c1cccs1)N1CCCC1)c1c[nH]c2cccc(F)c21 ZINC000195051644 1433285781 /nfs/dbraw/zinc/28/57/81/1433285781.db2.gz XJROAHXVDXXEOW-OAHLLOKOSA-N 0 1 393.509 3.484 20 0 GGADMN Cc1cc(C)c(CS(=O)(=O)C2N=NC(=O)N2CCc2ccccc2)c(C)c1 ZINC000195062691 1433287247 /nfs/dbraw/zinc/28/72/47/1433287247.db2.gz HGROEOBZFPFCRY-UHFFFAOYSA-N 0 1 385.489 3.126 20 0 GGADMN CC[C@@H](c1ccc(F)cc1)S(=O)(=O)C1N=NC(=O)N1CCc1ccccc1 ZINC000195062417 1433287375 /nfs/dbraw/zinc/28/73/75/1433287375.db2.gz DHMMEJVCIPLNFM-KRWDZBQOSA-N 0 1 389.452 3.291 20 0 GGADMN C[C@@H]1COCC[C@@H]1Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000195069144 1433288313 /nfs/dbraw/zinc/28/83/13/1433288313.db2.gz SSKWHWZLWNOGEL-CTNGQTDRSA-N 0 1 380.536 3.283 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCC3(SC)CCC3)CC2)cc1 ZINC000195127130 1433296397 /nfs/dbraw/zinc/29/63/97/1433296397.db2.gz MXJFXLKXNZJZCM-UHFFFAOYSA-N 0 1 377.554 3.198 20 0 GGADMN COc1ccccc1-n1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1C ZINC000195128076 1433296690 /nfs/dbraw/zinc/29/66/90/1433296690.db2.gz AGXHPAROGDYWSB-FQEVSTJZSA-N 0 1 396.466 3.361 20 0 GGADMN CC1=C(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)[C@H](C)n2ncnc2N1C ZINC000195129354 1433296708 /nfs/dbraw/zinc/29/67/08/1433296708.db2.gz VWXKLECMAVGFHP-LBPRGKRZSA-N 0 1 389.419 3.338 20 0 GGADMN C[C@@H]1c2cccn2CCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000195132654 1433296852 /nfs/dbraw/zinc/29/68/52/1433296852.db2.gz VAGMVXILLRIBMU-QGZVFWFLSA-N 0 1 384.549 3.052 20 0 GGADMN Cc1ncc(CN(C)CC(=O)Nc2cccc(CN3CCSCC3)c2)s1 ZINC000195133924 1433297265 /nfs/dbraw/zinc/29/72/65/1433297265.db2.gz GJOLUBYLZWZPHJ-UHFFFAOYSA-N 0 1 390.578 3.071 20 0 GGADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000195199975 1433306414 /nfs/dbraw/zinc/30/64/14/1433306414.db2.gz AWYHHLFTFUQTJK-FZMZJTMJSA-N 0 1 380.370 3.226 20 0 GGADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc2cnccc21 ZINC000195203070 1433306767 /nfs/dbraw/zinc/30/67/67/1433306767.db2.gz LDGXDNYJFUNDKL-UHFFFAOYSA-N 0 1 387.480 3.126 20 0 GGADMN O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)N1CCN(C2CCCC2)CC1 ZINC000195218283 1433308357 /nfs/dbraw/zinc/30/83/57/1433308357.db2.gz RXSMLKFSHBMHIU-UHFFFAOYSA-N 0 1 398.532 3.199 20 0 GGADMN C[C@](N)(C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 ZINC000195236612 1433310439 /nfs/dbraw/zinc/31/04/39/1433310439.db2.gz XSOCDPPDEIVZHL-JOCHJYFZSA-N 0 1 380.488 3.260 20 0 GGADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@](C)(N)c1ccccc1 ZINC000195234335 1433310495 /nfs/dbraw/zinc/31/04/95/1433310495.db2.gz AHSROGAEQAIEPN-LJQANCHMSA-N 0 1 393.409 3.367 20 0 GGADMN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000195237937 1433310565 /nfs/dbraw/zinc/31/05/65/1433310565.db2.gz FAVFPJIZWIBDDP-LEWJYISDSA-N 0 1 389.515 3.216 20 0 GGADMN CC(=O)c1cccc(OC[C@H](O)CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000195247691 1433311727 /nfs/dbraw/zinc/31/17/27/1433311727.db2.gz LXQYUZPJXMDLEW-JOCHJYFZSA-N 0 1 397.515 3.353 20 0 GGADMN O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000195250420 1433311904 /nfs/dbraw/zinc/31/19/04/1433311904.db2.gz KUHXOCBXOVHAPC-UHFFFAOYSA-N 0 1 385.439 3.383 20 0 GGADMN CC[C@H](C(=O)N1CCC(NC(=O)[C@](C)(N)c2ccccc2)CC1)c1ccccc1 ZINC000195267075 1433313393 /nfs/dbraw/zinc/31/33/93/1433313393.db2.gz KPDVGRIUYLCPCL-XUZZJYLKSA-N 0 1 393.531 3.162 20 0 GGADMN CCS(=O)(=O)c1ccccc1NCc1ccccc1CN1CCC[C@@H]1CO ZINC000195270170 1433313955 /nfs/dbraw/zinc/31/39/55/1433313955.db2.gz ZVJXXJGXQKBOTC-LJQANCHMSA-N 0 1 388.533 3.049 20 0 GGADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC(OC2CCCC2)CC1 ZINC000195272365 1433314108 /nfs/dbraw/zinc/31/41/08/1433314108.db2.gz LEMDNRMOBHXUBR-UHFFFAOYSA-N 0 1 386.540 3.179 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000195291398 1433315688 /nfs/dbraw/zinc/31/56/88/1433315688.db2.gz KIZRVZKALLHCTK-HXUWFJFHSA-N 0 1 398.507 3.030 20 0 GGADMN COc1ccc(C)cc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195320969 1433318529 /nfs/dbraw/zinc/31/85/29/1433318529.db2.gz FKTAFTSHAKVUMT-IBGZPJMESA-N 0 1 388.533 3.146 20 0 GGADMN COc1cccc([C@H](CNC(=O)[C@H]2CCCc3cccnc32)N2CCCC2)c1 ZINC000195321676 1433318826 /nfs/dbraw/zinc/31/88/26/1433318826.db2.gz VPNNSPBBQDIXBB-SFTDATJTSA-N 0 1 379.504 3.463 20 0 GGADMN COc1cccc([C@@H](CNC(=O)[C@@H]2CCCc3cccnc32)N2CCCC2)c1 ZINC000195321653 1433318904 /nfs/dbraw/zinc/31/89/04/1433318904.db2.gz VPNNSPBBQDIXBB-NHCUHLMSSA-N 0 1 379.504 3.463 20 0 GGADMN CN(CCOc1ccccc1F)C(=O)CN1CCC(OC2CCCC2)CC1 ZINC000195327165 1433319622 /nfs/dbraw/zinc/31/96/22/1433319622.db2.gz FJHKHVJLJFRHQS-UHFFFAOYSA-N 0 1 378.488 3.087 20 0 GGADMN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC(OC2CCCC2)CC1 ZINC000195327814 1433319750 /nfs/dbraw/zinc/31/97/50/1433319750.db2.gz IRVNHSLXZHWOJA-UHFFFAOYSA-N 0 1 392.515 3.477 20 0 GGADMN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000195340686 1433320575 /nfs/dbraw/zinc/32/05/75/1433320575.db2.gz CRTWQHSRQNVFHD-IEBWSBKVSA-N 0 1 388.533 3.335 20 0 GGADMN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000195348035 1433321440 /nfs/dbraw/zinc/32/14/40/1433321440.db2.gz WZTOPHPLNVSIEV-MSOLQXFVSA-N 0 1 384.549 3.060 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000195349448 1433321677 /nfs/dbraw/zinc/32/16/77/1433321677.db2.gz UUVJVLSPXQGZGS-CQSZACIVSA-N 0 1 376.416 3.272 20 0 GGADMN C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000195349448 1433321678 /nfs/dbraw/zinc/32/16/78/1433321678.db2.gz UUVJVLSPXQGZGS-CQSZACIVSA-N 0 1 376.416 3.272 20 0 GGADMN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000195355828 1433322210 /nfs/dbraw/zinc/32/22/10/1433322210.db2.gz ICSPIEMGKGLPEC-FQEVSTJZSA-N 0 1 382.427 3.364 20 0 GGADMN CO[C@@H](C)CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000195367824 1433323233 /nfs/dbraw/zinc/32/32/33/1433323233.db2.gz SEGPUMQHQRYNKR-IBGZPJMESA-N 0 1 381.520 3.368 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)N1CCc2ccccc21 ZINC000195382202 1433324289 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GGADMN CCN(Cc1ccccc1NS(=O)(=O)c1ccccc1OC(F)F)C(C)=O ZINC000195442485 1433330094 /nfs/dbraw/zinc/33/00/94/1433330094.db2.gz VBTLWVKMOBFWLE-UHFFFAOYSA-N 0 1 398.431 3.457 20 0 GGADMN CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195442113 1433330102 /nfs/dbraw/zinc/33/01/02/1433330102.db2.gz ASLWFWZPKIBTDM-UHFFFAOYSA-N 0 1 394.403 3.367 20 0 GGADMN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000195445007 1433330449 /nfs/dbraw/zinc/33/04/49/1433330449.db2.gz LHYINZCGIGCQKR-UHFFFAOYSA-N 0 1 384.404 3.229 20 0 GGADMN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000195451693 1433331174 /nfs/dbraw/zinc/33/11/74/1433331174.db2.gz PMFGCIHZXUQMIC-UHFFFAOYSA-N 0 1 395.836 3.482 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2ccsc2)CC1 ZINC000195451294 1433331263 /nfs/dbraw/zinc/33/12/63/1433331263.db2.gz KHOPDRFWMBQBAR-HNNXBMFYSA-N 0 1 375.513 3.449 20 0 GGADMN COc1ccc(-c2nc(NC(=O)c3cc(-c4ccc(C)o4)n[nH]3)n[nH]2)c(OC)c1 ZINC000195456696 1433332082 /nfs/dbraw/zinc/33/20/82/1433332082.db2.gz AIAMFEPYINYLNM-UHFFFAOYSA-N 0 1 394.391 3.033 20 0 GGADMN C[C@@H](NS(=O)(=O)c1c[nH]c2cccc(F)c21)[C@@H](c1ccccc1)N(C)C ZINC000195458267 1433332297 /nfs/dbraw/zinc/33/22/97/1433332297.db2.gz CQLQFWPKYJQXPS-YJYMSZOUSA-N 0 1 375.469 3.277 20 0 GGADMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(CS(C)(=O)=O)o3)cc2[nH]1 ZINC000195460596 1433332685 /nfs/dbraw/zinc/33/26/85/1433332685.db2.gz MJSTYEYBYUQOJC-UHFFFAOYSA-N 0 1 375.450 3.250 20 0 GGADMN NC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)s1 ZINC000195490243 1433336373 /nfs/dbraw/zinc/33/63/73/1433336373.db2.gz FLMNKMZIXIKNTJ-GOSISDBHSA-N 0 1 376.441 3.243 20 0 GGADMN CC1(C)Cc2cccc(S(=O)(=O)Nc3ccc4c(c3)CCCC(=O)N4)c2O1 ZINC000195504736 1433337409 /nfs/dbraw/zinc/33/74/09/1433337409.db2.gz VLHNVOMAXPAHPC-UHFFFAOYSA-N 0 1 386.473 3.476 20 0 GGADMN CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)ccc21 ZINC000195504112 1433337464 /nfs/dbraw/zinc/33/74/64/1433337464.db2.gz SDPPFCOKXYCFPO-UHFFFAOYSA-N 0 1 386.473 3.110 20 0 GGADMN COc1c(C)cc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2F)cc1C ZINC000195537771 1433338783 /nfs/dbraw/zinc/33/87/83/1433338783.db2.gz VXRKYRHILAISQV-UHFFFAOYSA-N 0 1 394.512 3.204 20 0 GGADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CCCOc2cccc(Cl)c2)C1 ZINC000195548258 1433339099 /nfs/dbraw/zinc/33/90/99/1433339099.db2.gz VNKAMQHBLMHYFY-IBGZPJMESA-N 0 1 397.947 3.107 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)CCCOc2cccc(Cl)c2)C1 ZINC000195548258 1433339101 /nfs/dbraw/zinc/33/91/01/1433339101.db2.gz VNKAMQHBLMHYFY-IBGZPJMESA-N 0 1 397.947 3.107 20 0 GGADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CCCOc2cccc(Cl)c2)C1 ZINC000195548261 1433339271 /nfs/dbraw/zinc/33/92/71/1433339271.db2.gz VNKAMQHBLMHYFY-LJQANCHMSA-N 0 1 397.947 3.107 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)CCCOc2cccc(Cl)c2)C1 ZINC000195548261 1433339275 /nfs/dbraw/zinc/33/92/75/1433339275.db2.gz VNKAMQHBLMHYFY-LJQANCHMSA-N 0 1 397.947 3.107 20 0 GGADMN CCN(CC)C(=O)COc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000195553168 1433339519 /nfs/dbraw/zinc/33/95/19/1433339519.db2.gz JTDSQPUZAMIQAK-UHFFFAOYSA-N 0 1 396.447 3.478 20 0 GGADMN COc1c(C)cc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1C ZINC000195568014 1433339639 /nfs/dbraw/zinc/33/96/39/1433339639.db2.gz IRQYWKUPEVOSHU-FQEVSTJZSA-N 0 1 388.533 3.427 20 0 GGADMN COc1c(C)cc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000195564374 1433339776 /nfs/dbraw/zinc/33/97/76/1433339776.db2.gz AOHPXOQOPYWVQK-UHFFFAOYSA-N 0 1 388.533 3.039 20 0 GGADMN COc1c(C)cc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1C ZINC000195564374 1433339779 /nfs/dbraw/zinc/33/97/79/1433339779.db2.gz AOHPXOQOPYWVQK-UHFFFAOYSA-N 0 1 388.533 3.039 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)[C@@H](C)N1CCc2ccccc21)N1CCCC1 ZINC000195686133 1433344704 /nfs/dbraw/zinc/34/47/04/1433344704.db2.gz WJLQQIMYDBQMPO-GCJKJVERSA-N 0 1 393.531 3.400 20 0 GGADMN COc1ccc([C@H](CNC(=O)[C@@H](C)N2CCc3ccccc32)N2CCCC2)cc1 ZINC000195686129 1433344782 /nfs/dbraw/zinc/34/47/82/1433344782.db2.gz MNRILGJITJINLB-JPYJTQIMSA-N 0 1 393.531 3.400 20 0 GGADMN COc1c(C)cc(S(=O)(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1C ZINC000195725178 1433345900 /nfs/dbraw/zinc/34/59/00/1433345900.db2.gz RLPBEFOISBHTEH-UHFFFAOYSA-N 0 1 394.512 3.204 20 0 GGADMN CCOC(=O)C1=C(CN(C)[C@H](C)c2ccco2)NC(=O)N[C@@H]1c1ccccc1 ZINC000195732387 1433346151 /nfs/dbraw/zinc/34/61/51/1433346151.db2.gz IDPYVZVTAGCEMG-AUUYWEPGSA-N 0 1 383.448 3.144 20 0 GGADMN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)c2cccs2)CC1 ZINC000195733516 1433346266 /nfs/dbraw/zinc/34/62/66/1433346266.db2.gz GVIKXDLKGJYFLZ-QGZVFWFLSA-N 0 1 388.493 3.442 20 0 GGADMN COc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c(OC)c1OC ZINC000198940928 1433351986 /nfs/dbraw/zinc/35/19/86/1433351986.db2.gz CEXXCDJLWPIUKO-UHFFFAOYSA-N 0 1 384.476 3.061 20 0 GGADMN O=C(/C=C\c1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000209762008 1433356224 /nfs/dbraw/zinc/35/62/24/1433356224.db2.gz LJNBTBLXOVVCLH-WDZFZDKYSA-N 0 1 398.419 3.068 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccco1 ZINC000211061600 1433356997 /nfs/dbraw/zinc/35/69/97/1433356997.db2.gz QFUBBXIEIIXPIL-HZPDHXFCSA-N 0 1 379.501 3.178 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)/C=C\c2ccccc2OC(F)(F)F)C1 ZINC000213270019 1433359761 /nfs/dbraw/zinc/35/97/61/1433359761.db2.gz DXHNEUFYAMDSAN-XITLMJRVSA-N 0 1 386.414 3.071 20 0 GGADMN Cc1ccc(C)n1-c1sccc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000218389634 1433365053 /nfs/dbraw/zinc/36/50/53/1433365053.db2.gz JAAOACCSJVIULP-KRWDZBQOSA-N 0 1 375.538 3.242 20 0 GGADMN CC1(C)CN(C(=O)c2ccc(Br)cc2Br)CCN1 ZINC000219446990 1433365521 /nfs/dbraw/zinc/36/55/21/1433365521.db2.gz PRQBKIYYBWARGO-UHFFFAOYSA-N 0 1 376.092 3.036 20 0 GGADMN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CCN(C2CCCC2)CC1 ZINC000219790643 1433365534 /nfs/dbraw/zinc/36/55/34/1433365534.db2.gz XDROUONBQXDYLD-UHFFFAOYSA-N 0 1 392.499 3.383 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)C[C@H]3CCCCO3)cc2)C[C@H](C)O1 ZINC000221708593 1433365952 /nfs/dbraw/zinc/36/59/52/1433365952.db2.gz WYJPCTLGTBFZPO-LVCYWYKZSA-N 0 1 389.540 3.006 20 0 GGADMN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000231751754 1433373236 /nfs/dbraw/zinc/37/32/36/1433373236.db2.gz SVUVMQMBIOXAFZ-RXMQYKEDSA-N 0 1 381.601 3.117 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000226458095 1433368647 /nfs/dbraw/zinc/36/86/47/1433368647.db2.gz UNRGHXBOXSSKST-PKOBYXMFSA-N 0 1 389.540 3.443 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000227527447 1433369713 /nfs/dbraw/zinc/36/97/13/1433369713.db2.gz FTLYUOPXIXPNTR-DBXWQHBBSA-N 0 1 394.519 3.298 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCc2nc3ccccc3s2)C[C@@H](C)O1 ZINC000227603638 1433370335 /nfs/dbraw/zinc/37/03/35/1433370335.db2.gz QSVJZNFAXVDFJD-BRWVUGGUSA-N 0 1 387.549 3.329 20 0 GGADMN CC(C)(C)OC(=O)N1CCOC[C@H]1CNCc1ccccc1Br ZINC000227702192 1433370391 /nfs/dbraw/zinc/37/03/91/1433370391.db2.gz MCUYQCXDPJCQGQ-CQSZACIVSA-N 0 1 385.302 3.175 20 0 GGADMN COc1ccc(CCC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000227797536 1433370523 /nfs/dbraw/zinc/37/05/23/1433370523.db2.gz BIZDOTKLNVQLJE-XYJFISCASA-N 0 1 394.943 3.381 20 0 GGADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228290492 1433371267 /nfs/dbraw/zinc/37/12/67/1433371267.db2.gz MGMHDKRKSQWCEP-OKZBNKHCSA-N 0 1 381.561 3.403 20 0 GGADMN Cc1ccc([C@H](NC(=O)CN2CCC[C@@H](CNC(=O)C(C)C)C2)C2CC2)cc1 ZINC000228758855 1433371470 /nfs/dbraw/zinc/37/14/70/1433371470.db2.gz HXYKKXOHBJCZQL-AVRDEDQJSA-N 0 1 385.552 3.047 20 0 GGADMN CN1CCCC[C@@H]1CNC(=O)c1cc(Br)sc1Br ZINC000234326970 1433373843 /nfs/dbraw/zinc/37/38/43/1433373843.db2.gz JWZROBSKOXPSKO-MRVPVSSYSA-N 0 1 396.148 3.487 20 0 GGADMN c1sc(-c2ccccn2)nc1CNC[C@H](c1ccccc1)N1CCOCC1 ZINC000236701510 1433376437 /nfs/dbraw/zinc/37/64/37/1433376437.db2.gz OYTSVQHKRWSQEE-HXUWFJFHSA-N 0 1 380.517 3.368 20 0 GGADMN CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3NCCc4ccccc43)cc2)CC1 ZINC000236715966 1433376659 /nfs/dbraw/zinc/37/66/59/1433376659.db2.gz AAMOFTYRBLULMG-OAQYLSRUSA-N 0 1 377.488 3.384 20 0 GGADMN c1nc(N2CCOCC2)sc1CNCc1ccnc(OCc2ccccc2)c1 ZINC000236712002 1433376666 /nfs/dbraw/zinc/37/66/66/1433376666.db2.gz WEYBGPJFJIJBDS-UHFFFAOYSA-N 0 1 396.516 3.244 20 0 GGADMN c1nc(N2CCOCC2)sc1CNCc1ccc(OCc2ccccn2)cc1 ZINC000236711360 1433376860 /nfs/dbraw/zinc/37/68/60/1433376860.db2.gz YJSVMVUULSPKDP-UHFFFAOYSA-N 0 1 396.516 3.244 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000236719435 1433376908 /nfs/dbraw/zinc/37/69/08/1433376908.db2.gz BSBFZBYASSJUNB-GOSISDBHSA-N 0 1 390.505 3.089 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236718271 1433376940 /nfs/dbraw/zinc/37/69/40/1433376940.db2.gz XSKJDSGVTGQTBP-IYBDPMFKSA-N 0 1 396.553 3.155 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000236720057 1433376989 /nfs/dbraw/zinc/37/69/89/1433376989.db2.gz SUUNPOONIKXIPT-HNNXBMFYSA-N 0 1 396.534 3.151 20 0 GGADMN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000236717878 1433377086 /nfs/dbraw/zinc/37/70/86/1433377086.db2.gz IGWAXTIYWAUDQE-HNNXBMFYSA-N 0 1 396.553 3.297 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000236739373 1433377510 /nfs/dbraw/zinc/37/75/10/1433377510.db2.gz FQSJXPKMUZXTGH-KRWDZBQOSA-N 0 1 375.494 3.108 20 0 GGADMN CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000236821754 1433380028 /nfs/dbraw/zinc/38/00/28/1433380028.db2.gz VWCCEMIBIFULBT-QGZVFWFLSA-N 0 1 375.494 3.252 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1Cl ZINC000236833197 1433380446 /nfs/dbraw/zinc/38/04/46/1433380446.db2.gz JULBANWPXRYUML-IBGZPJMESA-N 0 1 385.895 3.475 20 0 GGADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](N)Cc1ccccc1 ZINC000236902290 1433382617 /nfs/dbraw/zinc/38/26/17/1433382617.db2.gz DXTWHTNBQNYAIG-INIZCTEOSA-N 0 1 394.302 3.350 20 0 GGADMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1NCCc2ccccc21 ZINC000236919372 1433383244 /nfs/dbraw/zinc/38/32/44/1433383244.db2.gz SZDSCZNWQPPHSU-SFHVURJKSA-N 0 1 389.293 3.390 20 0 GGADMN CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000236981345 1433384877 /nfs/dbraw/zinc/38/48/77/1433384877.db2.gz MHCJQSAFAZPHOD-ACJLOTCBSA-N 0 1 375.494 3.108 20 0 GGADMN CCOc1cc(CNCc2cnn(C)c2)cc(Br)c1OC(F)F ZINC000236980179 1433384884 /nfs/dbraw/zinc/38/48/84/1433384884.db2.gz STBROHTVSHQRSH-UHFFFAOYSA-N 0 1 390.228 3.473 20 0 GGADMN CCN(Cc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1)C(=O)C(F)(F)F ZINC000237003697 1433385453 /nfs/dbraw/zinc/38/54/53/1433385453.db2.gz QBRXPVCHRIWLQN-KRWDZBQOSA-N 0 1 393.409 3.106 20 0 GGADMN CCC[C@H](NCc1cccc2c1OCCO2)C(=O)N1CCc2sccc2C1 ZINC000237035364 1433386609 /nfs/dbraw/zinc/38/66/09/1433386609.db2.gz UXZCMVSSBSMHOG-KRWDZBQOSA-N 0 1 386.517 3.363 20 0 GGADMN CN1CCN(c2ccc(NCc3ccc(Br)cc3F)nc2)CC1 ZINC000237040655 1433386916 /nfs/dbraw/zinc/38/69/16/1433386916.db2.gz KVRYBDNUPIPMLL-UHFFFAOYSA-N 0 1 379.277 3.347 20 0 GGADMN CCOc1cc(CN[C@@H](C)C(=O)NC(C)(C)C)ccc1OCC(F)(F)F ZINC000237059575 1433387350 /nfs/dbraw/zinc/38/73/50/1433387350.db2.gz HAVPLJACMFSKJW-LBPRGKRZSA-N 0 1 376.419 3.419 20 0 GGADMN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H](N)Cc3ccccc3)ccc21 ZINC000237057177 1433387406 /nfs/dbraw/zinc/38/74/06/1433387406.db2.gz CFESWYDZUNGVPV-HXUWFJFHSA-N 0 1 392.503 3.018 20 0 GGADMN CCOc1cc2c(cc1CNC[C@@H](O)COc1ccc(F)cc1)O[C@H](C)C2 ZINC000237077323 1433388156 /nfs/dbraw/zinc/38/81/56/1433388156.db2.gz JFODQICKDQNRDY-RDTXWAMCSA-N 0 1 375.440 3.077 20 0 GGADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000237075803 1433388262 /nfs/dbraw/zinc/38/82/62/1433388262.db2.gz SGLXBKXYJYCORA-VFNWGFHPSA-N 0 1 386.517 3.407 20 0 GGADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000237075803 1433388265 /nfs/dbraw/zinc/38/82/65/1433388265.db2.gz SGLXBKXYJYCORA-VFNWGFHPSA-N 0 1 386.517 3.407 20 0 GGADMN COc1ccc(Cl)cc1CNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000237097193 1433388925 /nfs/dbraw/zinc/38/89/25/1433388925.db2.gz ZUYUYXIOIIHFQT-UHFFFAOYSA-N 0 1 399.274 3.165 20 0 GGADMN COc1ccccc1N1CC[C@@H](NCc2cccc(Br)c2)C1=O ZINC000237097130 1433388980 /nfs/dbraw/zinc/38/89/80/1433388980.db2.gz MXCQICDFAQQPJA-OAHLLOKOSA-N 0 1 375.266 3.353 20 0 GGADMN CN1CCN(c2ccc(NCc3cnn(-c4ccc(Cl)cc4)c3)nc2)CC1 ZINC000237113952 1433389404 /nfs/dbraw/zinc/38/94/04/1433389404.db2.gz UBAAYZXJVCKYOC-UHFFFAOYSA-N 0 1 382.899 3.285 20 0 GGADMN CC[C@H](C)C(=O)Nc1cccc(CNCc2cnc(N3CCOCC3)s2)c1 ZINC000237110716 1433389513 /nfs/dbraw/zinc/38/95/13/1433389513.db2.gz ZUTMPEZIWDEFFP-HNNXBMFYSA-N 0 1 388.537 3.254 20 0 GGADMN COc1cc(CNCc2cccc(OC)c2OC)cc(Br)c1O ZINC000237116286 1433389717 /nfs/dbraw/zinc/38/97/17/1433389717.db2.gz CYVQDTGKGTTZRN-UHFFFAOYSA-N 0 1 382.254 3.470 20 0 GGADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C)c1nnc2ccccn21 ZINC000237148673 1433390666 /nfs/dbraw/zinc/39/06/66/1433390666.db2.gz OEORZBMARGFGNZ-STQMWFEESA-N 0 1 387.871 3.459 20 0 GGADMN COc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1OCc1cccnc1 ZINC000237164019 1433391114 /nfs/dbraw/zinc/39/11/14/1433391114.db2.gz OSHOONSUIQTUNI-LJQANCHMSA-N 0 1 377.444 3.178 20 0 GGADMN COc1ccc(F)cc1[C@H](C)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000237182626 1433391664 /nfs/dbraw/zinc/39/16/64/1433391664.db2.gz LKCHUOKPQNUCEK-NSHDSACASA-N 0 1 396.846 3.211 20 0 GGADMN COc1ccc(CNCc2cc(Br)c(O)c(OC)c2)c(OC)c1 ZINC000237208633 1433392867 /nfs/dbraw/zinc/39/28/67/1433392867.db2.gz GNCAJXFGTVPNRN-UHFFFAOYSA-N 0 1 382.254 3.470 20 0 GGADMN C[NH2+]CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000237236661 1433393569 /nfs/dbraw/zinc/39/35/69/1433393569.db2.gz QAFLSCZMFISHTG-UHFFFAOYSA-N 0 1 395.912 3.387 20 0 GGADMN C[NH2+]CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000237236700 1433393724 /nfs/dbraw/zinc/39/37/24/1433393724.db2.gz CYCAVKIMRFUQCP-UHFFFAOYSA-N 0 1 395.912 3.387 20 0 GGADMN C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000237258376 1433394717 /nfs/dbraw/zinc/39/47/17/1433394717.db2.gz HLACWFUQBWYXNW-CYBMUJFWSA-N 0 1 395.912 3.243 20 0 GGADMN COc1ccc(CNC(=O)CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000237286659 1433395893 /nfs/dbraw/zinc/39/58/93/1433395893.db2.gz WVVBLQRPWHIJCB-UHFFFAOYSA-N 0 1 382.382 3.042 20 0 GGADMN COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1OCc1cccnc1 ZINC000237331984 1433397647 /nfs/dbraw/zinc/39/76/47/1433397647.db2.gz OSHOONSUIQTUNI-IBGZPJMESA-N 0 1 377.444 3.178 20 0 GGADMN C[C@@H](NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1ccc(Cl)s1 ZINC000237329893 1433397806 /nfs/dbraw/zinc/39/78/06/1433397806.db2.gz NTHPGZWCMCEBEC-CJNGLKHVSA-N 0 1 388.924 3.394 20 0 GGADMN CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCN[C@H](C)C3)c2)cc1 ZINC000237368407 1433399311 /nfs/dbraw/zinc/39/93/11/1433399311.db2.gz NECIRYHQGHPIPO-QGZVFWFLSA-N 0 1 380.488 3.221 20 0 GGADMN COc1cc2c(c(CNCc3cccc(CN4CCOCC4)c3)c1)O[C@@H](C)C2 ZINC000237412969 1433401610 /nfs/dbraw/zinc/40/16/10/1433401610.db2.gz QSWGGSWXIBYWRL-KRWDZBQOSA-N 0 1 382.504 3.141 20 0 GGADMN Cc1cccc([C@H](C)CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c1 ZINC000237430200 1433402844 /nfs/dbraw/zinc/40/28/44/1433402844.db2.gz OYEBWRSASHAADC-GCJKJVERSA-N 0 1 376.504 3.030 20 0 GGADMN COc1cc2c(c(CN[C@H](CN3CCOCC3)c3ccccc3)c1)O[C@@H](C)C2 ZINC000237431536 1433402930 /nfs/dbraw/zinc/40/29/30/1433402930.db2.gz NYRWEDFHPYPFPB-HTAPYJJXSA-N 0 1 382.504 3.182 20 0 GGADMN C[C@H](CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)Sc1ccccc1 ZINC000237430118 1433402961 /nfs/dbraw/zinc/40/29/61/1433402961.db2.gz IEKKIYCCSLEGTK-UTKZUKDTSA-N 0 1 394.544 3.098 20 0 GGADMN COc1ccc(CNCc2ccccc2CN2CCCC2=O)c(OC)c1OC ZINC000237437908 1433403230 /nfs/dbraw/zinc/40/32/30/1433403230.db2.gz KCNOQQMEWHDHMM-UHFFFAOYSA-N 0 1 384.476 3.125 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000237437199 1433403384 /nfs/dbraw/zinc/40/33/84/1433403384.db2.gz QGLWKKGPMGNGLU-CYBMUJFWSA-N 0 1 380.439 3.017 20 0 GGADMN C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000237459009 1433404222 /nfs/dbraw/zinc/40/42/22/1433404222.db2.gz VMSNDTBQHYMGJQ-SJKOYZFVSA-N 0 1 382.851 3.282 20 0 GGADMN COc1ccc(C(=O)Nc2cccc(CNCc3ccc(C(N)=O)cc3)c2)cc1 ZINC000237467436 1433404535 /nfs/dbraw/zinc/40/45/35/1433404535.db2.gz NGMIBHLFBZHRMV-UHFFFAOYSA-N 0 1 389.455 3.336 20 0 GGADMN COc1ccc([C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])N2CCOCC2)cc1 ZINC000237494989 1433406220 /nfs/dbraw/zinc/40/62/20/1433406220.db2.gz WFLCRQFJXVEJKK-LJQANCHMSA-N 0 1 376.884 3.217 20 0 GGADMN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000237527164 1433407986 /nfs/dbraw/zinc/40/79/86/1433407986.db2.gz XFWUFIYRKXQGHD-INIZCTEOSA-N 0 1 383.517 3.160 20 0 GGADMN Cc1ccc(C[C@H](C)NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)c(C)c1 ZINC000237544640 1433408787 /nfs/dbraw/zinc/40/87/87/1433408787.db2.gz VAYNUIJDEZMEIG-CVDCTZTESA-N 0 1 390.531 3.165 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3Cc4ccccc4CN3)cc2F)C[C@H](C)O1 ZINC000237550301 1433408866 /nfs/dbraw/zinc/40/88/66/1433408866.db2.gz PMDLCDCFKQIFRP-MDOVXXIYSA-N 0 1 383.467 3.092 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000237554722 1433409057 /nfs/dbraw/zinc/40/90/57/1433409057.db2.gz DCKGEPIOQZKRPE-ZDUSSCGKSA-N 0 1 398.429 3.315 20 0 GGADMN C[C@@H](CNC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)Sc1ccccc1 ZINC000237566221 1433409932 /nfs/dbraw/zinc/40/99/32/1433409932.db2.gz IEKKIYCCSLEGTK-UWJYYQICSA-N 0 1 394.544 3.098 20 0 GGADMN Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000237587752 1433411114 /nfs/dbraw/zinc/41/11/14/1433411114.db2.gz VCQVUNKCTKERDP-UHFFFAOYSA-N 0 1 387.505 3.253 20 0 GGADMN Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000237600281 1433411874 /nfs/dbraw/zinc/41/18/74/1433411874.db2.gz CYNQWBSNKYGONH-UHFFFAOYSA-N 0 1 395.912 3.373 20 0 GGADMN C[C@H](CNCc1csc(-c2cccc(Br)c2)n1)N1CCOCC1 ZINC000237597870 1433411888 /nfs/dbraw/zinc/41/18/88/1433411888.db2.gz IBJASDOGGKUALY-CYBMUJFWSA-N 0 1 396.354 3.383 20 0 GGADMN Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000237639863 1433414057 /nfs/dbraw/zinc/41/40/57/1433414057.db2.gz ULUJZCDPYAFHGQ-FQEVSTJZSA-N 0 1 387.505 3.124 20 0 GGADMN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000237662792 1433415233 /nfs/dbraw/zinc/41/52/33/1433415233.db2.gz LOFMONBWEGASAL-FQEVSTJZSA-N 0 1 382.891 3.476 20 0 GGADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000237667020 1433415724 /nfs/dbraw/zinc/41/57/24/1433415724.db2.gz HZMFBOTZKKNCLR-IERDGZPVSA-N 0 1 377.488 3.354 20 0 GGADMN O=C(Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)[C@@H]1CNCCO1 ZINC000237679811 1433416691 /nfs/dbraw/zinc/41/66/91/1433416691.db2.gz SAEJVCJXTOSFEX-KRWDZBQOSA-N 0 1 380.366 3.211 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H](N)c3ccccc3)C2)cc1 ZINC000237689825 1433416898 /nfs/dbraw/zinc/41/68/98/1433416898.db2.gz RRMHVXNYKUSWEN-PXNSSMCTSA-N 0 1 380.492 3.055 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)[C@@H]3Cc4ccccc4CN3)cc2)cs1 ZINC000237693881 1433417340 /nfs/dbraw/zinc/41/73/40/1433417340.db2.gz ZSRVZVGWSGLLHT-FQEVSTJZSA-N 0 1 377.513 3.492 20 0 GGADMN Cc1nc(-c2ccc(CCNC(=O)[C@H]3Cc4ccccc4CN3)cc2)cs1 ZINC000237694292 1433417404 /nfs/dbraw/zinc/41/74/04/1433417404.db2.gz ZSRVZVGWSGLLHT-HXUWFJFHSA-N 0 1 377.513 3.492 20 0 GGADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000237702227 1433417713 /nfs/dbraw/zinc/41/77/13/1433417713.db2.gz YXTGBKCQGCMQHT-LJQANCHMSA-N 0 1 399.491 3.264 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1OCC1CCOCC1 ZINC000237702073 1433417775 /nfs/dbraw/zinc/41/77/75/1433417775.db2.gz INCBJGYBVKCLFD-NRFANRHFSA-N 0 1 380.488 3.453 20 0 GGADMN Cc1sc(CCNC(=O)[C@H]2Cc3ccccc3CN2)nc1-c1ccccc1 ZINC000237725146 1433419041 /nfs/dbraw/zinc/41/90/41/1433419041.db2.gz CWXXNQOSPFFGFF-LJQANCHMSA-N 0 1 377.513 3.492 20 0 GGADMN O=C(c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)N1CCNCC1 ZINC000237720185 1433419049 /nfs/dbraw/zinc/41/90/49/1433419049.db2.gz IYYJGMJVUUDQBT-UHFFFAOYSA-N 0 1 398.816 3.079 20 0 GGADMN Cc1ccc(-c2ccc(CNCCS(=O)(=O)NCc3ccccc3)o2)cc1 ZINC000237720372 1433419226 /nfs/dbraw/zinc/41/92/26/1433419226.db2.gz VXUVLKTVQWDYTB-UHFFFAOYSA-N 0 1 384.501 3.464 20 0 GGADMN O=C(CNCc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000237734304 1433419544 /nfs/dbraw/zinc/41/95/44/1433419544.db2.gz PZTSRPYDGASFJC-UHFFFAOYSA-N 0 1 393.409 3.024 20 0 GGADMN O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC[NH2+]CC1 ZINC000237747463 1433420850 /nfs/dbraw/zinc/42/08/50/1433420850.db2.gz VAXPWUPVUCFXEM-UHFFFAOYSA-N 0 1 393.896 3.079 20 0 GGADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000237750893 1433421391 /nfs/dbraw/zinc/42/13/91/1433421391.db2.gz UVDHNJKWSACQPQ-RBUKOAKNSA-N 0 1 390.405 3.320 20 0 GGADMN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1Cc2ccccc2CN1 ZINC000237763470 1433422042 /nfs/dbraw/zinc/42/20/42/1433422042.db2.gz KRIFODBBULYDTI-FQEVSTJZSA-N 0 1 377.419 3.344 20 0 GGADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccccc1-n1ccnc1 ZINC000237766926 1433422274 /nfs/dbraw/zinc/42/22/74/1433422274.db2.gz LIMZCPUVJSVONG-UHFFFAOYSA-N 0 1 379.386 3.145 20 0 GGADMN O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1Cc2ccccc2CN1 ZINC000237763586 1433422295 /nfs/dbraw/zinc/42/22/95/1433422295.db2.gz KRIFODBBULYDTI-HXUWFJFHSA-N 0 1 377.419 3.344 20 0 GGADMN Cc1ccc(OC(F)F)c(CNCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000237771570 1433422600 /nfs/dbraw/zinc/42/26/00/1433422600.db2.gz UIYMMSKSDDDZLY-UHFFFAOYSA-N 0 1 389.446 3.035 20 0 GGADMN N[C@@H](C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000237802174 1433424576 /nfs/dbraw/zinc/42/45/76/1433424576.db2.gz ZGKKKTMABCBRAP-GOSISDBHSA-N 0 1 377.410 3.050 20 0 GGADMN Fc1cccc(N2CCCC2)c1CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000237796332 1433424643 /nfs/dbraw/zinc/42/46/43/1433424643.db2.gz SPUJWNIRPSBNKR-FQEVSTJZSA-N 0 1 383.511 3.417 20 0 GGADMN O=C([C@@H]1CNCCO1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000237815847 1433425716 /nfs/dbraw/zinc/42/57/16/1433425716.db2.gz DRNCVZRWVMQJAK-SFHVURJKSA-N 0 1 394.393 3.445 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CNCc1cccc(COC(C)(C)C)c1 ZINC000237820740 1433425943 /nfs/dbraw/zinc/42/59/43/1433425943.db2.gz GTFKLXQWFLEDLV-UHFFFAOYSA-N 0 1 386.540 3.170 20 0 GGADMN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000237837722 1433427923 /nfs/dbraw/zinc/42/79/23/1433427923.db2.gz NYUTVZGPOOACKW-GAWOJFTKSA-N 0 1 392.547 3.134 20 0 GGADMN N[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237843157 1433428178 /nfs/dbraw/zinc/42/81/78/1433428178.db2.gz FXLXTKXVNRVFFA-IEBWSBKVSA-N 0 1 375.875 3.260 20 0 GGADMN N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000237843331 1433428349 /nfs/dbraw/zinc/42/83/49/1433428349.db2.gz GUSNEGPGYDAWKS-CRAIPNDOSA-N 0 1 375.419 3.073 20 0 GGADMN O=C(CNC[C@@H]1CCCO1)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000237854401 1433429162 /nfs/dbraw/zinc/42/91/62/1433429162.db2.gz HUNFRQHCOONBRB-NSHDSACASA-N 0 1 383.420 3.119 20 0 GGADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](N)c3ccccc3)cc2)cc1 ZINC000237858109 1433429544 /nfs/dbraw/zinc/42/95/44/1433429544.db2.gz PQYAJASSONVORX-FQEVSTJZSA-N 0 1 395.484 3.434 20 0 GGADMN Cc1nc2n(n1)C[C@@H](NCc1c(C)nn(-c3cc(C)ccc3C)c1Cl)CC2 ZINC000237861010 1433429951 /nfs/dbraw/zinc/42/99/51/1433429951.db2.gz VAONLIBBBWNZNP-INIZCTEOSA-N 0 1 384.915 3.455 20 0 GGADMN N[C@@H](C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccccc1 ZINC000237867831 1433430387 /nfs/dbraw/zinc/43/03/87/1433430387.db2.gz YGDUDQFLZFATCA-LJQANCHMSA-N 0 1 378.501 3.340 20 0 GGADMN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@@H]1Cc2ccccc2CN1 ZINC000237896217 1433432349 /nfs/dbraw/zinc/43/23/49/1433432349.db2.gz RSHCKIKFYASUHC-VXKWHMMOSA-N 0 1 386.499 3.140 20 0 GGADMN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[C@H]1NCCc2ccccc21 ZINC000237896414 1433432444 /nfs/dbraw/zinc/43/24/44/1433432444.db2.gz YRYMLOQQFJTPPQ-GMAHTHKFSA-N 0 1 386.499 3.312 20 0 GGADMN O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1Cc2ccccc2CN1 ZINC000237894253 1433432493 /nfs/dbraw/zinc/43/24/93/1433432493.db2.gz GUXLXKLSEZDJKV-GOSISDBHSA-N 0 1 378.394 3.096 20 0 GGADMN Cc1cn2c(CNCc3cccc(C(=O)NC[C@H]4CCCO4)c3)c(C)nc2s1 ZINC000237922766 1433434729 /nfs/dbraw/zinc/43/47/29/1433434729.db2.gz RKKMWQMUINGECE-GOSISDBHSA-N 0 1 398.532 3.211 20 0 GGADMN O=C(CCC1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000237971499 1433437881 /nfs/dbraw/zinc/43/78/81/1433437881.db2.gz DLHLYCZPVYHIAU-UHFFFAOYSA-N 0 1 387.505 3.206 20 0 GGADMN N[C@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1ccccc1 ZINC000238006231 1433438751 /nfs/dbraw/zinc/43/87/51/1433438751.db2.gz XKBMKUFZARMPBD-SJORKVTESA-N 0 1 375.266 3.049 20 0 GGADMN N[C@H](C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000238004633 1433438762 /nfs/dbraw/zinc/43/87/62/1433438762.db2.gz ZGKKKTMABCBRAP-SFHVURJKSA-N 0 1 377.410 3.050 20 0 GGADMN N[C@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1ccccc1 ZINC000238000081 1433438853 /nfs/dbraw/zinc/43/88/53/1433438853.db2.gz ZXCVQQYGESFNTK-SFHVURJKSA-N 0 1 389.858 3.356 20 0 GGADMN O=S(=O)(CCNCc1ccccc1OC1CCCC1)NCc1ccccc1 ZINC000238018454 1433439670 /nfs/dbraw/zinc/43/96/70/1433439670.db2.gz IWJVGPPAVHYOGW-UHFFFAOYSA-N 0 1 388.533 3.217 20 0 GGADMN N[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1 ZINC000238020637 1433439707 /nfs/dbraw/zinc/43/97/07/1433439707.db2.gz PPFBDFWNFUAWRN-HKUYNNGSSA-N 0 1 375.875 3.432 20 0 GGADMN N[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1 ZINC000238033391 1433440156 /nfs/dbraw/zinc/44/01/56/1433440156.db2.gz GUSNEGPGYDAWKS-QAPCUYQASA-N 0 1 375.419 3.073 20 0 GGADMN O=C(C[NH2+]Cc1cc(Br)ccc1[O-])N1CCCc2ccccc21 ZINC000238045855 1433440822 /nfs/dbraw/zinc/44/08/22/1433440822.db2.gz QIZJDSFNDYVRFO-UHFFFAOYSA-N 0 1 375.266 3.224 20 0 GGADMN [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000238048964 1433441180 /nfs/dbraw/zinc/44/11/80/1433441180.db2.gz WAZGMKLHFPEMND-ZFWWWQNUSA-N 0 1 391.468 3.083 20 0 GGADMN O=C(Nc1ccc(CNC(=O)[C@@H]2NCCc3ccccc32)cc1)c1ccco1 ZINC000238063234 1433441459 /nfs/dbraw/zinc/44/14/59/1433441459.db2.gz SAWSMKRGPLUKNQ-HXUWFJFHSA-N 0 1 375.428 3.035 20 0 GGADMN NCc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)o1 ZINC000238062938 1433441527 /nfs/dbraw/zinc/44/15/27/1433441527.db2.gz BPIULAPRLUIWPD-CYBMUJFWSA-N 0 1 386.839 3.462 20 0 GGADMN O=C(NCc1csc(CCc2ccccc2)n1)[C@H]1Cc2ccccc2CN1 ZINC000238091698 1433442909 /nfs/dbraw/zinc/44/29/09/1433442909.db2.gz GXBBYVKPRFAMQM-HXUWFJFHSA-N 0 1 377.513 3.259 20 0 GGADMN O=C([C@H]1Cc2ccccc2CN1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000238104766 1433443267 /nfs/dbraw/zinc/44/32/67/1433443267.db2.gz DNKXFLLXKJQROE-RTWAWAEBSA-N 0 1 384.907 3.327 20 0 GGADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000244182064 1433451660 /nfs/dbraw/zinc/45/16/60/1433451660.db2.gz VJRYBURXJXFHOX-UHFFFAOYSA-N 0 1 392.547 3.075 20 0 GGADMN C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245200120 1433454151 /nfs/dbraw/zinc/45/41/51/1433454151.db2.gz IEIOCHRSQMLOHA-CABCVRRESA-N 0 1 395.931 3.191 20 0 GGADMN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245200068 1433454176 /nfs/dbraw/zinc/45/41/76/1433454176.db2.gz HGAAIWHXPOBYED-ZBFHGGJFSA-N 0 1 395.931 3.191 20 0 GGADMN C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245201557 1433454760 /nfs/dbraw/zinc/45/47/60/1433454760.db2.gz SEWUAHCDBKBTHD-AEFFLSMTSA-N 0 1 379.545 3.228 20 0 GGADMN C[C@@H](C(=O)NCCC1=CCCCC1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000245201558 1433454810 /nfs/dbraw/zinc/45/48/10/1433454810.db2.gz SEWUAHCDBKBTHD-WMZOPIPTSA-N 0 1 379.545 3.228 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000245202253 1433455227 /nfs/dbraw/zinc/45/52/27/1433455227.db2.gz YFZCVLOHNIQIGH-RCCFBDPRSA-N 0 1 379.545 3.014 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000245202251 1433455318 /nfs/dbraw/zinc/45/53/18/1433455318.db2.gz YFZCVLOHNIQIGH-BZSNNMDCSA-N 0 1 379.545 3.014 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000245389657 1433457776 /nfs/dbraw/zinc/45/77/76/1433457776.db2.gz IWUWLEGNMZPFJQ-SJLPKXTDSA-N 0 1 391.581 3.212 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000245393737 1433459226 /nfs/dbraw/zinc/45/92/26/1433459226.db2.gz WLZOBVUXAMVDAJ-BBWFWOEESA-N 0 1 389.515 3.369 20 0 GGADMN CCCC(=O)NC[C@H]1CCCN(CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)C1 ZINC000245394861 1433459608 /nfs/dbraw/zinc/45/96/08/1433459608.db2.gz YPCOTXMCONGKJQ-QZTJIDSGSA-N 0 1 391.531 3.364 20 0 GGADMN NC(=O)CC[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000245401480 1433460844 /nfs/dbraw/zinc/46/08/44/1433460844.db2.gz ZYIVQTVVNIYUNA-FDDCHVKYSA-N 0 1 385.552 3.402 20 0 GGADMN COC(=O)[C@@H]1CCCN(CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000245404520 1433461526 /nfs/dbraw/zinc/46/15/26/1433461526.db2.gz PMQPENQMJUQYCD-UYAOXDASSA-N 0 1 388.508 3.024 20 0 GGADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245408524 1433462230 /nfs/dbraw/zinc/46/22/30/1433462230.db2.gz HROTWZYWGATSOW-MNOVXSKESA-N 0 1 391.821 3.273 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245410425 1433462509 /nfs/dbraw/zinc/46/25/09/1433462509.db2.gz QZLDZVBLRROUKV-HKUYNNGSSA-N 0 1 379.504 3.192 20 0 GGADMN COc1ccc(CCNC(=O)[C@H](C)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000245413275 1433463116 /nfs/dbraw/zinc/46/31/16/1433463116.db2.gz BHYRHPRVPCLVAX-HYFFOGBASA-N 0 1 382.504 3.444 20 0 GGADMN CN(C(=O)c1cccc(C[S@@](C)=O)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000245414255 1433463162 /nfs/dbraw/zinc/46/31/62/1433463162.db2.gz CDBNDXXPBKRHGZ-JIPXPUAJSA-N 0 1 384.545 3.302 20 0 GGADMN Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000245417287 1433463715 /nfs/dbraw/zinc/46/37/15/1433463715.db2.gz FXKMMMPFIVJPHP-AZUAARDMSA-N 0 1 394.519 3.054 20 0 GGADMN CN(C(=O)CSC[C@H]1CCCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000245431141 1433466412 /nfs/dbraw/zinc/46/64/12/1433466412.db2.gz NXQRZRVZHGGYHD-VQTJNVASSA-N 0 1 376.566 3.412 20 0 GGADMN Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)C(=O)N(C)Cc3ccccc3)C2)nc1 ZINC000245435268 1433466880 /nfs/dbraw/zinc/46/68/80/1433466880.db2.gz QGKAHNGMFHEAIL-UYAOXDASSA-N 0 1 394.519 3.088 20 0 GGADMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C[C@@H](C)CC[C@H]1C ZINC000245438484 1433467705 /nfs/dbraw/zinc/46/77/05/1433467705.db2.gz FISRLCDFYPGSHW-JKSUJKDBSA-N 0 1 392.569 3.317 20 0 GGADMN Cc1ccc([C@H](CNC(=O)N[C@H]2CCCC[C@H]2n2cccn2)N2CCCC2)o1 ZINC000245438049 1433467772 /nfs/dbraw/zinc/46/77/72/1433467772.db2.gz RYUAKSVEDUAISJ-OTWHNJEPSA-N 0 1 385.512 3.405 20 0 GGADMN C[C@H](O)CCN(C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000245443966 1433468675 /nfs/dbraw/zinc/46/86/75/1433468675.db2.gz JHEVUSUJEBCOST-FXAWDEMLSA-N 0 1 379.504 3.119 20 0 GGADMN O=C(CN1CCC[C@H]1CN1CCOCC1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000245444905 1433469321 /nfs/dbraw/zinc/46/93/21/1433469321.db2.gz JXHIPHIXCSTJSQ-LADGPHEKSA-N 0 1 399.579 3.221 20 0 GGADMN O=C(CN1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000245444911 1433469338 /nfs/dbraw/zinc/46/93/38/1433469338.db2.gz JXVOQPIYZOLBOS-OXJNMPFZSA-N 0 1 381.476 3.413 20 0 GGADMN Cc1ccccc1[C@H]1CCCN1CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000245446257 1433469677 /nfs/dbraw/zinc/46/96/77/1433469677.db2.gz KZXGLGCLPXEYFS-DYESRHJHSA-N 0 1 397.494 3.265 20 0 GGADMN COc1cc(C)c([C@@H](C)NC(=O)CN2CCS[C@@H](C(C)C)C2)cc1OC ZINC000245450576 1433470044 /nfs/dbraw/zinc/47/00/44/1433470044.db2.gz OSIZHIGYOBHUED-DNVCBOLYSA-N 0 1 380.554 3.263 20 0 GGADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000245453036 1433470465 /nfs/dbraw/zinc/47/04/65/1433470465.db2.gz QVNVAKZCVXOSTH-IAGOWNOFSA-N 0 1 397.544 3.487 20 0 GGADMN Cc1cccc([C@H]2CCCN2CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000245457827 1433471896 /nfs/dbraw/zinc/47/18/96/1433471896.db2.gz UNKLUYGIMWKZBZ-DYESRHJHSA-N 0 1 397.494 3.265 20 0 GGADMN Cc1ccc(OC[C@H](O)CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(C)c1 ZINC000245462374 1433472842 /nfs/dbraw/zinc/47/28/42/1433472842.db2.gz GLBUGEFKDQWFLW-MIRXNBLZSA-N 0 1 375.534 3.474 20 0 GGADMN Cc1ccc(OC[C@H](O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C)c1 ZINC000245462372 1433473094 /nfs/dbraw/zinc/47/30/94/1433473094.db2.gz GLBUGEFKDQWFLW-AZZGJVAJSA-N 0 1 375.534 3.474 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[C@@H](COCc2ccccc2)C1 ZINC000245462965 1433473501 /nfs/dbraw/zinc/47/35/01/1433473501.db2.gz XDNFUKLVVUNCSM-FUHWJXTLSA-N 0 1 382.460 3.281 20 0 GGADMN Cc1cccc(C)c1OC[C@H](O)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245471047 1433474424 /nfs/dbraw/zinc/47/44/24/1433474424.db2.gz NNSHGLMPEGLERE-BNJIMDBKSA-N 0 1 375.534 3.474 20 0 GGADMN C[C@H](CN1CCN(C)CC1)NC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245476952 1433475071 /nfs/dbraw/zinc/47/50/71/1433475071.db2.gz UBTPNBDHFCUWLQ-IXDOHACOSA-N 0 1 380.964 3.109 20 0 GGADMN Cc1ccc(CNC(=O)C2CCN([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000245474885 1433475091 /nfs/dbraw/zinc/47/50/91/1433475091.db2.gz RJQPXPPQTQOXQL-VAMGGRTRSA-N 0 1 399.579 3.216 20 0 GGADMN COc1ccc(COC[C@H](O)CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000245479013 1433475380 /nfs/dbraw/zinc/47/53/80/1433475380.db2.gz WAYCTYAONGZEBD-QAZDYGKNSA-N 0 1 391.533 3.003 20 0 GGADMN COc1ccc(COC[C@H](O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000245479014 1433475401 /nfs/dbraw/zinc/47/54/01/1433475401.db2.gz WAYCTYAONGZEBD-TUZCJGOLSA-N 0 1 391.533 3.003 20 0 GGADMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000245485008 1433476417 /nfs/dbraw/zinc/47/64/17/1433476417.db2.gz INIPUAGUAGZRID-LAUBAEHRSA-N 0 1 391.531 3.288 20 0 GGADMN C[N@@H+](C[C@@H](O)COc1ccccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245483952 1433476518 /nfs/dbraw/zinc/47/65/18/1433476518.db2.gz GKMUSYYXCWPKTR-LSDHHAIUSA-N 0 1 384.904 3.021 20 0 GGADMN CCOCCN1CCN(CCOc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000245494995 1433476729 /nfs/dbraw/zinc/47/67/29/1433476729.db2.gz OOJQQHBATWTSEM-OAHLLOKOSA-N 0 1 376.419 3.007 20 0 GGADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N(C)C[C@H]1CCCOC1 ZINC000245494730 1433476871 /nfs/dbraw/zinc/47/68/71/1433476871.db2.gz OAWFIMAYPDONEJ-UONOGXRCSA-N 0 1 382.526 3.173 20 0 GGADMN O=C(Nc1nc(C2CC2)cs1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000245499953 1433478032 /nfs/dbraw/zinc/47/80/32/1433478032.db2.gz ZEJWAOUVQYJUSJ-SJORKVTESA-N 0 1 386.521 3.025 20 0 GGADMN COc1ccc([C@@H](CNC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)N2CCCCC2)cc1 ZINC000245511987 1433479469 /nfs/dbraw/zinc/47/94/69/1433479469.db2.gz ZNGXJOBALIZCDF-SHJAMOMRSA-N 0 1 389.540 3.477 20 0 GGADMN O=C1[C@H](N2CCC[C@@H](Cn3ccnn3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000245528603 1433481225 /nfs/dbraw/zinc/48/12/25/1433481225.db2.gz BNOLKIGKGCWPLZ-CXAGYDPISA-N 0 1 394.306 3.102 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@H]1CCCC[C@H]1O ZINC000245529918 1433481505 /nfs/dbraw/zinc/48/15/05/1433481505.db2.gz BZXNYRDRXBCGSY-UYAOXDASSA-N 0 1 384.524 3.219 20 0 GGADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)C[C@@H]1CCCC[C@H]1O ZINC000245529912 1433481529 /nfs/dbraw/zinc/48/15/29/1433481529.db2.gz BZXNYRDRXBCGSY-AZUAARDMSA-N 0 1 384.524 3.219 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C[C@@H]1CCCC[C@H]1O ZINC000245553074 1433484221 /nfs/dbraw/zinc/48/42/21/1433484221.db2.gz RAALJVMRHROODQ-XHDPSFHLSA-N 0 1 384.402 3.003 20 0 GGADMN C[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)C[C@@H]1CCCC[C@H]1O ZINC000245553074 1433484225 /nfs/dbraw/zinc/48/42/25/1433484225.db2.gz RAALJVMRHROODQ-XHDPSFHLSA-N 0 1 384.402 3.003 20 0 GGADMN COc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c(Cl)c1OC ZINC000245552863 1433484264 /nfs/dbraw/zinc/48/42/64/1433484264.db2.gz DMMRSNIXJLSCAY-BFYDXBDKSA-N 0 1 382.932 3.431 20 0 GGADMN COc1ccc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c(Cl)c1OC ZINC000245552865 1433484466 /nfs/dbraw/zinc/48/44/66/1433484466.db2.gz DMMRSNIXJLSCAY-YQQAZPJKSA-N 0 1 382.932 3.431 20 0 GGADMN COc1cccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1OC(F)F ZINC000245566441 1433486132 /nfs/dbraw/zinc/48/61/32/1433486132.db2.gz SRJCPBCPTGXBRU-BFYDXBDKSA-N 0 1 384.467 3.370 20 0 GGADMN COc1cc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000245566098 1433486212 /nfs/dbraw/zinc/48/62/12/1433486212.db2.gz SIDNESNVLJPUPV-YQQAZPJKSA-N 0 1 382.932 3.431 20 0 GGADMN C[C@@H]1CCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1n1ccnc1 ZINC000245567055 1433486618 /nfs/dbraw/zinc/48/66/18/1433486618.db2.gz RTDLSDWTYQOKSI-JEBQAFNWSA-N 0 1 376.863 3.364 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(F)c1Cl ZINC000245572775 1433486888 /nfs/dbraw/zinc/48/68/88/1433486888.db2.gz CMZKUUVJZFZZLD-QAPCUYQASA-N 0 1 376.859 3.092 20 0 GGADMN CC(C)(C)SCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245578693 1433487497 /nfs/dbraw/zinc/48/74/97/1433487497.db2.gz HIVXXLCCLJMVFY-RBUKOAKNSA-N 0 1 378.582 3.298 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(-c2cccs2)on1 ZINC000245577465 1433487507 /nfs/dbraw/zinc/48/75/07/1433487507.db2.gz GLTULCNWXILKNU-AEFFLSMTSA-N 0 1 397.500 3.016 20 0 GGADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000245579349 1433487526 /nfs/dbraw/zinc/48/75/26/1433487526.db2.gz GJXUDCVOAGXBHL-HKJPBSJPSA-N 0 1 380.851 3.271 20 0 GGADMN O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc(Cl)c1F ZINC000245583321 1433487992 /nfs/dbraw/zinc/48/79/92/1433487992.db2.gz KMFSHYKKCPSSJC-QAPCUYQASA-N 0 1 376.859 3.092 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(Cl)c1F ZINC000245583321 1433487994 /nfs/dbraw/zinc/48/79/94/1433487994.db2.gz KMFSHYKKCPSSJC-QAPCUYQASA-N 0 1 376.859 3.092 20 0 GGADMN O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000245582663 1433488085 /nfs/dbraw/zinc/48/80/85/1433488085.db2.gz KAXNVFMDDRKAAP-APWZRJJASA-N 0 1 376.859 3.092 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000245582663 1433488086 /nfs/dbraw/zinc/48/80/86/1433488086.db2.gz KAXNVFMDDRKAAP-APWZRJJASA-N 0 1 376.859 3.092 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C1(c2ccccc2)CCCC1 ZINC000245587916 1433488356 /nfs/dbraw/zinc/48/83/56/1433488356.db2.gz NLKKQZFQWJUWBI-FCHUYYIVSA-N 0 1 378.516 3.250 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C1(c2cccc(F)c2)CCCC1 ZINC000245594426 1433488956 /nfs/dbraw/zinc/48/89/56/1433488956.db2.gz RCTDLCCKQDZJSW-VXKWHMMOSA-N 0 1 396.506 3.389 20 0 GGADMN C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000245596652 1433489190 /nfs/dbraw/zinc/48/91/90/1433489190.db2.gz RZLZFMZWIZWWMP-PIPMEXSNSA-N 0 1 384.495 3.004 20 0 GGADMN CCC1(CC)[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)[C@H](C)[C@H]1OC ZINC000245597721 1433489395 /nfs/dbraw/zinc/48/93/95/1433489395.db2.gz JBABZNCZQGKUJD-PWIZWCRZSA-N 0 1 388.556 3.185 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CCN1C[C@H](C)O ZINC000245597698 1433489449 /nfs/dbraw/zinc/48/94/49/1433489449.db2.gz NTASVYALTTYVRI-HKUYNNGSSA-N 0 1 399.539 3.440 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CCN1C[C@H](C)O ZINC000245597706 1433489459 /nfs/dbraw/zinc/48/94/59/1433489459.db2.gz NTASVYALTTYVRI-PKOBYXMFSA-N 0 1 399.539 3.440 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccccc2N(C)C2CCCC2)CCN1C[C@H](C)O ZINC000245605431 1433490031 /nfs/dbraw/zinc/49/00/31/1433490031.db2.gz QWOJGBSYRUGIAA-ZWKOTPCHSA-N 0 1 388.556 3.374 20 0 GGADMN COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 ZINC000245607629 1433490311 /nfs/dbraw/zinc/49/03/11/1433490311.db2.gz MUZHXVDHZLXAIZ-LSDHHAIUSA-N 0 1 390.553 3.111 20 0 GGADMN Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@H](C)[C@@H](n4ccnc4)C3)c2C)no1 ZINC000245606646 1433490341 /nfs/dbraw/zinc/49/03/41/1433490341.db2.gz NKMHJYAAGGWQJN-LIRRHRJNSA-N 0 1 381.480 3.353 20 0 GGADMN C[C@@](O)(CN1CCC[C@@](C)(c2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000245611865 1433490934 /nfs/dbraw/zinc/49/09/34/1433490934.db2.gz VSJYQOQAJYHUCJ-FGZHOGPDSA-N 0 1 387.545 3.351 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245617059 1433491187 /nfs/dbraw/zinc/49/11/87/1433491187.db2.gz DFHLKAUKLKZUIO-RTWAWAEBSA-N 0 1 395.503 3.222 20 0 GGADMN CC(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245617059 1433491188 /nfs/dbraw/zinc/49/11/88/1433491188.db2.gz DFHLKAUKLKZUIO-RTWAWAEBSA-N 0 1 395.503 3.222 20 0 GGADMN C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000245616187 1433491418 /nfs/dbraw/zinc/49/14/18/1433491418.db2.gz NAVPOGOWUDOIFP-SZMVWBNQSA-N 0 1 384.442 3.289 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245621037 1433491952 /nfs/dbraw/zinc/49/19/52/1433491952.db2.gz NUKZBGWLFKCGIJ-XFQAVAEZSA-N 0 1 392.503 3.037 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2Cl)[C@H]1c1ccccc1 ZINC000245630444 1433493182 /nfs/dbraw/zinc/49/31/82/1433493182.db2.gz HQDZRQBWWFREKE-NVXWUHKLSA-N 0 1 392.286 3.494 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CCN1C[C@H](C)O ZINC000245630813 1433493253 /nfs/dbraw/zinc/49/32/53/1433493253.db2.gz ZZDBAQNJKXZIML-AAEUAGOBSA-N 0 1 377.382 3.153 20 0 GGADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1 ZINC000245640737 1433494457 /nfs/dbraw/zinc/49/44/57/1433494457.db2.gz KMSNFIDMYDXDGJ-IAGOWNOFSA-N 0 1 392.286 3.494 20 0 GGADMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc2c(c1)OCCCO2 ZINC000245649673 1433495431 /nfs/dbraw/zinc/49/54/31/1433495431.db2.gz AJGWWBYFJHCKCO-JXFKEZNVSA-N 0 1 395.503 3.471 20 0 GGADMN Cc1cc(NC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)n(C)n1 ZINC000245651774 1433495572 /nfs/dbraw/zinc/49/55/72/1433495572.db2.gz CLXMWTSBIYFDOD-DYVFJYSZSA-N 0 1 379.867 3.336 20 0 GGADMN Cc1cnn(CCC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000245649688 1433495600 /nfs/dbraw/zinc/49/56/00/1433495600.db2.gz CBEZPTZISKWFJI-KXBFYZLASA-N 0 1 378.879 3.183 20 0 GGADMN COCCOc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000245649623 1433495609 /nfs/dbraw/zinc/49/56/09/1433495609.db2.gz AICXLOYXHSJPEH-VGSWGCGISA-N 0 1 397.519 3.335 20 0 GGADMN CN1CC[C@@H](CNC(=O)NCCc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652951 1433495696 /nfs/dbraw/zinc/49/56/96/1433495696.db2.gz CTKHDABYEHTDHF-HNAYVOBHSA-N 0 1 390.890 3.409 20 0 GGADMN C[C@@H]1OCCN(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)[C@H]1C ZINC000245656785 1433496503 /nfs/dbraw/zinc/49/65/03/1433496503.db2.gz DWFIUUUCKPENFV-ATZCPQFDSA-N 0 1 383.895 3.291 20 0 GGADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000245663267 1433496902 /nfs/dbraw/zinc/49/69/02/1433496902.db2.gz DKFSJNFBFMBIQY-LZQZEXGQSA-N 0 1 379.932 3.327 20 0 GGADMN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1OC(C)C ZINC000245673476 1433497741 /nfs/dbraw/zinc/49/77/41/1433497741.db2.gz SOYNMADJDHFUAL-FPOVZHCZSA-N 0 1 395.503 3.282 20 0 GGADMN CCC[C@](C)(CO)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245686520 1433499539 /nfs/dbraw/zinc/49/95/39/1433499539.db2.gz KVSQPMLVMWQXCY-UCLAIMLFSA-N 0 1 385.911 3.322 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)N1CCSCC1 ZINC000245690499 1433500007 /nfs/dbraw/zinc/50/00/07/1433500007.db2.gz LRTYKAKSCDZLHG-XUWXXGDYSA-N 0 1 399.963 3.025 20 0 GGADMN C[C@@]1(c2ccccc2)CC(=O)N(CN2CC[C@@H](COCc3ccccc3)C2)C1=O ZINC000245692252 1433500689 /nfs/dbraw/zinc/50/06/89/1433500689.db2.gz PAIJHLNOQYZLKI-YKSBVNFPSA-N 0 1 392.499 3.199 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245692773 1433500804 /nfs/dbraw/zinc/50/08/04/1433500804.db2.gz ASRBXYGTMCJJPX-GDBMZVCRSA-N 0 1 390.491 3.437 20 0 GGADMN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245692773 1433500809 /nfs/dbraw/zinc/50/08/09/1433500809.db2.gz ASRBXYGTMCJJPX-GDBMZVCRSA-N 0 1 390.491 3.437 20 0 GGADMN CN1CC[C@H](CNC(=O)N2CCOC(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245702757 1433502718 /nfs/dbraw/zinc/50/27/18/1433502718.db2.gz NMUUTNRKSVWEMD-PBHICJAKSA-N 0 1 383.895 3.292 20 0 GGADMN COc1ncncc1NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245704291 1433503253 /nfs/dbraw/zinc/50/32/53/1433503253.db2.gz NWLJOABHRCRTJK-BLLLJJGKSA-N 0 1 393.850 3.092 20 0 GGADMN CC(C)[C@H](NC(=O)CN(C)[C@H]1CCSC1)c1ccc2c(c1)OCCCO2 ZINC000245711765 1433504252 /nfs/dbraw/zinc/50/42/52/1433504252.db2.gz ZNZDOMUIZKYPRL-JXFKEZNVSA-N 0 1 378.538 3.099 20 0 GGADMN CN1CC[C@H](CNC(=O)NCc2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245711170 1433504255 /nfs/dbraw/zinc/50/42/55/1433504255.db2.gz PCLVJAZZBZPKKA-CRAIPNDOSA-N 0 1 376.863 3.366 20 0 GGADMN CC(C)[C@H](CNC(=O)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1 ZINC000245711830 1433504436 /nfs/dbraw/zinc/50/44/36/1433504436.db2.gz FMZVCKHVUBSZQC-UXHICEINSA-N 0 1 395.551 3.418 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(Cl)c(F)c1 ZINC000245716115 1433505082 /nfs/dbraw/zinc/50/50/82/1433505082.db2.gz GNTDDRLWICYUSZ-LPHOPBHVSA-N 0 1 376.859 3.092 20 0 GGADMN C[C@H](OCCCNC(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245721801 1433505860 /nfs/dbraw/zinc/50/58/60/1433505860.db2.gz UVBIXZFDCQENJX-SVFBPWRDSA-N 0 1 384.524 3.050 20 0 GGADMN CC(C)CC(=O)NCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245720159 1433505899 /nfs/dbraw/zinc/50/58/99/1433505899.db2.gz QXYXFGXEBHMJEU-YWZLYKJASA-N 0 1 397.922 3.141 20 0 GGADMN CCCCOc1cccc(CNC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000245723433 1433506271 /nfs/dbraw/zinc/50/62/71/1433506271.db2.gz UZSYZKJVHCWMKI-NQIIRXRSSA-N 0 1 384.524 3.261 20 0 GGADMN CCOC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245730051 1433506977 /nfs/dbraw/zinc/50/69/77/1433506977.db2.gz SSSMHYSWKBZARR-CJNGLKHVSA-N 0 1 384.879 3.177 20 0 GGADMN CCOC(=O)C(C)(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245730049 1433507037 /nfs/dbraw/zinc/50/70/37/1433507037.db2.gz SSSMHYSWKBZARR-BBRMVZONSA-N 0 1 384.879 3.177 20 0 GGADMN C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000245729471 1433507153 /nfs/dbraw/zinc/50/71/53/1433507153.db2.gz JDXLZLAJWUQFSZ-NJDAHSKKSA-N 0 1 380.573 3.323 20 0 GGADMN CC1CCC(N(C(=O)CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)C2CC2)CC1 ZINC000245734022 1433507809 /nfs/dbraw/zinc/50/78/09/1433507809.db2.gz CSHIBEUXWVSOQE-WYESBNJKSA-N 0 1 387.568 3.031 20 0 GGADMN COc1ccc(-c2noc([C@H](C)N3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)n2)cc1 ZINC000245740030 1433509449 /nfs/dbraw/zinc/50/94/49/1433509449.db2.gz DSNHNPWHJNVBNF-GMBSWORKSA-N 0 1 396.491 3.282 20 0 GGADMN COc1ccc(-c2noc([C@H](C)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)n2)cc1 ZINC000245740044 1433509579 /nfs/dbraw/zinc/50/95/79/1433509579.db2.gz DSNHNPWHJNVBNF-URLQWDBASA-N 0 1 396.491 3.282 20 0 GGADMN CCOCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245745503 1433510202 /nfs/dbraw/zinc/51/02/02/1433510202.db2.gz WPRBQZTYPLTCEA-SIIHOXLZSA-N 0 1 386.895 3.030 20 0 GGADMN CCOCCO[C@H](C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245745503 1433510207 /nfs/dbraw/zinc/51/02/07/1433510207.db2.gz WPRBQZTYPLTCEA-SIIHOXLZSA-N 0 1 386.895 3.030 20 0 GGADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000245746897 1433510399 /nfs/dbraw/zinc/51/03/99/1433510399.db2.gz MXWVCPXCJRQSMH-YLJYHZDGSA-N 0 1 394.943 3.052 20 0 GGADMN CN1CC[C@H](CNC(=O)NC[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245750347 1433511280 /nfs/dbraw/zinc/51/12/80/1433511280.db2.gz XOMZTWZFUPUBBD-SIIHOXLZSA-N 0 1 383.895 3.198 20 0 GGADMN O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245751154 1433511385 /nfs/dbraw/zinc/51/13/85/1433511385.db2.gz OBPDADRIDHCTTD-CRAIPNDOSA-N 0 1 383.471 3.021 20 0 GGADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245756309 1433512249 /nfs/dbraw/zinc/51/22/49/1433512249.db2.gz ZNVGMYQUYPAXKO-ZRGWGRIASA-N 0 1 376.451 3.264 20 0 GGADMN CO[C@@H]1CCCN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245758123 1433512499 /nfs/dbraw/zinc/51/24/99/1433512499.db2.gz YURZYIXRVGRIMS-IIDMSEBBSA-N 0 1 383.895 3.292 20 0 GGADMN O=C1CC[C@H]2CN(Cc3nn(-c4ccccc4)c4c3CCC4)CC[C@@H]2N1C1CC1 ZINC000245772297 1433515200 /nfs/dbraw/zinc/51/52/00/1433515200.db2.gz KRGPOEMMRZREIW-JTSKRJEESA-N 0 1 390.531 3.336 20 0 GGADMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000245784271 1433516675 /nfs/dbraw/zinc/51/66/75/1433516675.db2.gz MPBDCQONOBSWQB-OXQOHEQNSA-N 0 1 386.492 3.395 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245780568 1433517063 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O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC000245804769 1433520877 /nfs/dbraw/zinc/52/08/77/1433520877.db2.gz BJCKZYKYNOXABP-JKSUJKDBSA-N 0 1 396.384 3.210 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(-c2ccccc2)[nH]1 ZINC000245828814 1433522613 /nfs/dbraw/zinc/52/26/13/1433522613.db2.gz FXMKOWYMOLEEGR-PMACEKPBSA-N 0 1 375.472 3.047 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000245825936 1433523179 /nfs/dbraw/zinc/52/31/79/1433523179.db2.gz FOIAGADFSZHSKZ-ZWKOTPCHSA-N 0 1 384.863 3.451 20 0 GGADMN O=C(CSc1ccc(Cl)cc1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245834464 1433523498 /nfs/dbraw/zinc/52/34/98/1433523498.db2.gz GUOHGNBXHHZAIW-ZWKOTPCHSA-N 0 1 390.936 3.184 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000245834218 1433523675 /nfs/dbraw/zinc/52/36/75/1433523675.db2.gz GSHPRULJGRCRKL-GJZGRUSLSA-N 0 1 395.286 3.064 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ccc2NC1=O 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JTMBSFYYOHEYGF-PBXDDXTRSA-N 0 1 390.527 3.032 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N([C@H](C)C3CC3)C3CC3)ccc2NC1=O ZINC000245853480 1433526893 /nfs/dbraw/zinc/52/68/93/1433526893.db2.gz GURAGSAJJODSFD-LPMFXHHGSA-N 0 1 385.508 3.236 20 0 GGADMN CCC[C@H]1CN([C@H](C)C(=O)Nc2cccc(Cl)c2C)CCN1CCOC ZINC000245856397 1433527751 /nfs/dbraw/zinc/52/77/51/1433527751.db2.gz DQIHFPMCUGIZMS-SJORKVTESA-N 0 1 381.948 3.408 20 0 GGADMN CCN(C)[C@H](C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1 ZINC000245859644 1433528133 /nfs/dbraw/zinc/52/81/33/1433528133.db2.gz QHXKSWXWSVQGKA-RTWAWAEBSA-N 0 1 395.503 3.113 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1C1CC1 ZINC000245859838 1433528475 /nfs/dbraw/zinc/52/84/75/1433528475.db2.gz KOSXDNFZOBDIQV-PWIZWCRZSA-N 0 1 396.535 3.097 20 0 GGADMN CC[C@H](C)n1ncc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1C1CC1 ZINC000245859830 1433528500 /nfs/dbraw/zinc/52/85/00/1433528500.db2.gz KOSXDNFZOBDIQV-FFZOFVMBSA-N 0 1 396.535 3.097 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(CCO)[C@H]1CCc2ccccc21 ZINC000245861302 1433528807 /nfs/dbraw/zinc/52/88/07/1433528807.db2.gz HWBZUKSZMKGZBG-GCJKJVERSA-N 0 1 381.520 3.198 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000245868362 1433530322 /nfs/dbraw/zinc/53/03/22/1433530322.db2.gz LRMTUJFVZNTVJY-ROUUACIJSA-N 0 1 393.409 3.462 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000245868439 1433530512 /nfs/dbraw/zinc/53/05/12/1433530512.db2.gz LRYFKMRRDZKNDC-FGZHOGPDSA-N 0 1 396.535 3.288 20 0 GGADMN CC(C)N(C)c1cccc(NC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000245868433 1433530531 /nfs/dbraw/zinc/53/05/31/1433530531.db2.gz LRYFKMRRDZKNDC-FCHUYYIVSA-N 0 1 396.535 3.288 20 0 GGADMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CCN1CCOC ZINC000245872634 1433530988 /nfs/dbraw/zinc/53/09/88/1433530988.db2.gz HCNRRBCUPAGCRZ-IAGOWNOFSA-N 0 1 381.948 3.408 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc2ccccc2o1 ZINC000245879876 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1 393.314 3.288 20 0 GGADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000245903765 1433538360 /nfs/dbraw/zinc/53/83/60/1433538360.db2.gz LVYSELUSIUDWPA-BFYDXBDKSA-N 0 1 384.442 3.348 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@H]1CCc2c1cccc2Cl ZINC000245905108 1433538999 /nfs/dbraw/zinc/53/89/99/1433538999.db2.gz QNRYXTFLFHWVHB-FVJLSDCUSA-N 0 1 399.922 3.262 20 0 GGADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000245910770 1433540366 /nfs/dbraw/zinc/54/03/66/1433540366.db2.gz RDUHWUKPYXVROP-RAUXBKROSA-N 0 1 384.907 3.195 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)NCC(=O)N(C)[C@H]3CCCC[C@@H]3C)ccc2NC1=O ZINC000245908715 1433540372 /nfs/dbraw/zinc/54/03/72/1433540372.db2.gz UQJAQRDVUUKOHL-LNMJFAINSA-N 0 1 387.524 3.484 20 0 GGADMN CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245912478 1433540617 /nfs/dbraw/zinc/54/06/17/1433540617.db2.gz PTGOLENRZRVERK-AEFFLSMTSA-N 0 1 386.471 3.456 20 0 GGADMN 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3.336 20 0 GGADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000245934793 1433546939 /nfs/dbraw/zinc/54/69/39/1433546939.db2.gz VJQALBDNHDWJSX-DJIMGWMZSA-N 0 1 398.519 3.471 20 0 GGADMN C[C@H]1CN(C2CCN(C(=O)N[C@H]3CCCc4cc(F)ccc43)CC2)CCO1 ZINC000245936317 1433547403 /nfs/dbraw/zinc/54/74/03/1433547403.db2.gz QCZYRSIYYDRXGE-YWZLYKJASA-N 0 1 375.488 3.098 20 0 GGADMN CCC[C@H]1CN(CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCN1CCOC ZINC000245943830 1433548164 /nfs/dbraw/zinc/54/81/64/1433548164.db2.gz RKEPFFXCRWSDDC-XXBNENTESA-N 0 1 397.563 3.450 20 0 GGADMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000245945655 1433548661 /nfs/dbraw/zinc/54/86/61/1433548661.db2.gz KLSUIGIBDQLBLV-XSYGEPLQSA-N 0 1 377.573 3.040 20 0 GGADMN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000245969990 1433551626 /nfs/dbraw/zinc/55/16/26/1433551626.db2.gz FLVSCEDKRLOTLJ-FGTMMUONSA-N 0 1 395.503 3.225 20 0 GGADMN C[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@H](CO)c1cccc(Br)c1 ZINC000245970885 1433551641 /nfs/dbraw/zinc/55/16/41/1433551641.db2.gz WJOAEUASZZIALI-SJORKVTESA-N 0 1 386.236 3.426 20 0 GGADMN Cc1ccc(CCCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000245969615 1433551656 /nfs/dbraw/zinc/55/16/56/1433551656.db2.gz VKPHYXJVKDYKER-PZJWPPBQSA-N 0 1 386.561 3.378 20 0 GGADMN Cc1ccc(CCCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)s1 ZINC000245969615 1433551660 /nfs/dbraw/zinc/55/16/60/1433551660.db2.gz VKPHYXJVKDYKER-PZJWPPBQSA-N 0 1 386.561 3.378 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000245974702 1433552297 /nfs/dbraw/zinc/55/22/97/1433552297.db2.gz WVFZGDOJYMWKDO-JRGCBEDISA-N 0 1 396.539 3.287 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245991822 1433554599 /nfs/dbraw/zinc/55/45/99/1433554599.db2.gz XAJBYBUEYOFUSJ-MAODMQOUSA-N 0 1 386.923 3.270 20 0 GGADMN CCOc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000245996686 1433555532 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SGYQWXGNFVPWCJ-LMMKCTJWSA-N 0 1 375.513 3.041 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)NCc3ccc(C)cc3)ccc2NC1=O ZINC000246160968 1433576473 /nfs/dbraw/zinc/57/64/73/1433576473.db2.gz KSSAWKUHHORICC-YRNRMSPPSA-N 0 1 395.503 3.460 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 ZINC000246161883 1433576477 /nfs/dbraw/zinc/57/64/77/1433576477.db2.gz RBUQPKRJWMSLIW-KFDHSVMUSA-N 0 1 393.597 3.276 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccco1 ZINC000246164282 1433577025 /nfs/dbraw/zinc/57/70/25/1433577025.db2.gz IHISUEKQLIZPRQ-BRWVUGGUSA-N 0 1 393.528 3.472 20 0 GGADMN CCN1CCN([C@@H]2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000246164120 1433577051 /nfs/dbraw/zinc/57/70/51/1433577051.db2.gz OKSHMIPHLAUCNT-GDBMZVCRSA-N 0 1 399.366 3.032 20 0 GGADMN CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccco1 ZINC000246164287 1433577111 /nfs/dbraw/zinc/57/71/11/1433577111.db2.gz IHISUEKQLIZPRQ-GVDBMIGSSA-N 0 1 393.528 3.472 20 0 GGADMN 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XSBBFLNFWUFRHT-SQNIBIBYSA-N 0 1 384.442 3.282 20 0 GGADMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000246215027 1433582713 /nfs/dbraw/zinc/58/27/13/1433582713.db2.gz XSBBFLNFWUFRHT-FGTMMUONSA-N 0 1 384.442 3.282 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CCCC[C@H]1CO ZINC000246218788 1433583221 /nfs/dbraw/zinc/58/32/21/1433583221.db2.gz OTDQUFJWMIXLNS-JQHSSLGASA-N 0 1 399.457 3.130 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H]2CCCN([C@H](C)C(=O)NCCC(C)C)C2)cc1 ZINC000246225635 1433584214 /nfs/dbraw/zinc/58/42/14/1433584214.db2.gz RWVHIVUDBSCHRG-RTBURBONSA-N 0 1 388.556 3.379 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCOC(C)(C)C3)c2C1 ZINC000246236494 1433585066 /nfs/dbraw/zinc/58/50/66/1433585066.db2.gz XBFKTYIASNDREM-RDJZCZTQSA-N 0 1 387.524 3.059 20 0 GGADMN Cc1nc(C)n(C[C@@H]2CCCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)n1 ZINC000246243838 1433585724 /nfs/dbraw/zinc/58/57/24/1433585724.db2.gz VBIDKVYGWIGEAJ-APWZRJJASA-N 0 1 387.915 3.066 20 0 GGADMN 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1433588321 /nfs/dbraw/zinc/58/83/21/1433588321.db2.gz ATESBEDIKXECIK-SJORKVTESA-N 0 1 376.497 3.327 20 0 GGADMN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)C1=O ZINC000246275267 1433588620 /nfs/dbraw/zinc/58/86/20/1433588620.db2.gz BAJNPTGYXQMKEI-WDYCEAGBSA-N 0 1 378.488 3.434 20 0 GGADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000246279571 1433589065 /nfs/dbraw/zinc/58/90/65/1433589065.db2.gz AHLLGEBYXRIVFK-NPPFBWRTSA-N 0 1 388.552 3.475 20 0 GGADMN CS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000246282734 1433589351 /nfs/dbraw/zinc/58/93/51/1433589351.db2.gz BABMRUNJXGROAW-CRAIPNDOSA-N 0 1 375.538 3.358 20 0 GGADMN CS[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000246282734 1433589353 /nfs/dbraw/zinc/58/93/53/1433589353.db2.gz BABMRUNJXGROAW-CRAIPNDOSA-N 0 1 375.538 3.358 20 0 GGADMN CS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000246282738 1433589489 /nfs/dbraw/zinc/58/94/89/1433589489.db2.gz BABMRUNJXGROAW-MAUKXSAKSA-N 0 1 375.538 3.358 20 0 GGADMN CS[C@@H]1CCCCN([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000246282738 1433589491 /nfs/dbraw/zinc/58/94/91/1433589491.db2.gz BABMRUNJXGROAW-MAUKXSAKSA-N 0 1 375.538 3.358 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246281143 1433589506 /nfs/dbraw/zinc/58/95/06/1433589506.db2.gz AJINODNBTVLZGY-RZQQEMMASA-N 0 1 378.488 3.051 20 0 GGADMN CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246292223 1433590388 /nfs/dbraw/zinc/59/03/88/1433590388.db2.gz AYNCLMJYFMKLJP-HZPDHXFCSA-N 0 1 385.512 3.031 20 0 GGADMN COC(=O)[C@]1(C)CCN([C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000246293084 1433590971 /nfs/dbraw/zinc/59/09/71/1433590971.db2.gz BOBBXBMGZUIOJJ-DENIHFKCSA-N 0 1 382.460 3.260 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000246295592 1433591292 /nfs/dbraw/zinc/59/12/92/1433591292.db2.gz BHCNFTLZJYGWAR-CVEARBPZSA-N 0 1 397.523 3.173 20 0 GGADMN CCN(C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1)CC(F)(F)F ZINC000246313063 1433593492 /nfs/dbraw/zinc/59/34/92/1433593492.db2.gz ZLYCLCBIGLWYAZ-VVLHAWIVSA-N 0 1 377.495 3.133 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CCS[C@@H](C)[C@H]2C)c(OC)c1 ZINC000246316752 1433593822 /nfs/dbraw/zinc/59/38/22/1433593822.db2.gz GWZHIMMKHBYWGJ-VKJFTORMSA-N 0 1 378.538 3.193 20 0 GGADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246315790 1433593856 /nfs/dbraw/zinc/59/38/56/1433593856.db2.gz RENFZCCDLKGLGI-DWLFOUALSA-N 0 1 383.536 3.071 20 0 GGADMN Cc1nc(COc2ccc(CN3CCN(C)C[C@H]3c3ccccc3)cc2)no1 ZINC000246319945 1433594509 /nfs/dbraw/zinc/59/45/09/1433594509.db2.gz SEFVXSQUICCQSY-NRFANRHFSA-N 0 1 378.476 3.446 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCCC[C@H]2[C@H](C)O)cs1 ZINC000246324889 1433595189 /nfs/dbraw/zinc/59/51/89/1433595189.db2.gz ITXTZZWWXWUSHR-LIRRHRJNSA-N 0 1 385.533 3.243 20 0 GGADMN O=C([C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)N1CCCCC1 ZINC000246342771 1433597864 /nfs/dbraw/zinc/59/78/64/1433597864.db2.gz UZUBZFLTTWESGA-RRPUWOKSSA-N 0 1 395.547 3.216 20 0 GGADMN O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246351138 1433599065 /nfs/dbraw/zinc/59/90/65/1433599065.db2.gz MORHJMBHRXOSNU-XJKSGUPXSA-N 0 1 388.455 3.343 20 0 GGADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCc4ccccc4[C@H]3C)CC2)C1 ZINC000246357714 1433600268 /nfs/dbraw/zinc/60/02/68/1433600268.db2.gz OTNKEPSOHURMTH-RTBURBONSA-N 0 1 397.563 3.103 20 0 GGADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)NCc3ccccc3F)ccc2NC1=O ZINC000246366514 1433601340 /nfs/dbraw/zinc/60/13/40/1433601340.db2.gz QBNMADGKXZIUSL-KSMMKXTCSA-N 0 1 399.466 3.291 20 0 GGADMN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccccc1F ZINC000246366370 1433601500 /nfs/dbraw/zinc/60/15/00/1433601500.db2.gz LIJVDNAMRHKZQR-RDTXWAMCSA-N 0 1 387.373 3.250 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C[C@H]1C ZINC000246373756 1433602606 /nfs/dbraw/zinc/60/26/06/1433602606.db2.gz AJBLOCVPWWPUPL-SJORKVTESA-N 0 1 375.513 3.065 20 0 GGADMN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000246374682 1433603015 /nfs/dbraw/zinc/60/30/15/1433603015.db2.gz OFUWDAHTVJBJBV-JXFKEZNVSA-N 0 1 392.503 3.263 20 0 GGADMN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000246397967 1433607056 /nfs/dbraw/zinc/60/70/56/1433607056.db2.gz LKRGZCKVVLFQCU-ZMSDIMECSA-N 0 1 387.517 3.247 20 0 GGADMN CN(Cc1ccc(F)cc1)C(=O)CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246409999 1433608653 /nfs/dbraw/zinc/60/86/53/1433608653.db2.gz BBLPGCIRVBFTHA-ZWKOTPCHSA-N 0 1 376.497 3.434 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000246432491 1433612029 /nfs/dbraw/zinc/61/20/29/1433612029.db2.gz TURCZDUUIILGAH-HMPCPRATSA-N 0 1 376.522 3.304 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246433359 1433612249 /nfs/dbraw/zinc/61/22/49/1433612249.db2.gz CSPYURQCPDWCJM-NHCUHLMSSA-N 0 1 399.466 3.311 20 0 GGADMN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000246440516 1433613064 /nfs/dbraw/zinc/61/30/64/1433613064.db2.gz ULZSDHVGCXHMHA-MJGOQNOKSA-N 0 1 395.503 3.284 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1nc(Cl)ccc1Cl ZINC000246439964 1433613217 /nfs/dbraw/zinc/61/32/17/1433613217.db2.gz BJTSNVRRAZLTNV-ZBFHGGJFSA-N 0 1 394.302 3.001 20 0 GGADMN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000246440499 1433613307 /nfs/dbraw/zinc/61/33/07/1433613307.db2.gz ULZSDHVGCXHMHA-IEBWSBKVSA-N 0 1 395.503 3.284 20 0 GGADMN CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000246445506 1433613989 /nfs/dbraw/zinc/61/39/89/1433613989.db2.gz ODFUGHUYSXFBKK-XPWALMASSA-N 0 1 396.531 3.062 20 0 GGADMN CNC(=O)[C@@H]1CCCCN1C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000246445506 1433613991 /nfs/dbraw/zinc/61/39/91/1433613991.db2.gz ODFUGHUYSXFBKK-XPWALMASSA-N 0 1 396.531 3.062 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@H]2CCSc3c(F)cccc32)C[C@@H]1C ZINC000246449636 1433614569 /nfs/dbraw/zinc/61/45/69/1433614569.db2.gz CPTVCEAOHUXEQK-VBQJREDUSA-N 0 1 381.517 3.113 20 0 GGADMN O=C(CN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccccc1 ZINC000246455693 1433615182 /nfs/dbraw/zinc/61/51/82/1433615182.db2.gz FCVPFZDMLQXZGI-RBUKOAKNSA-N 0 1 385.439 3.062 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]3CCC[C@H]32)N(C)C)cc1OC ZINC000246461926 1433616001 /nfs/dbraw/zinc/61/60/01/1433616001.db2.gz VAWHNIRFOZDLMI-JQHSSLGASA-N 0 1 375.513 3.281 20 0 GGADMN C[C@H](CSCc1ccccc1)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000246463562 1433616040 /nfs/dbraw/zinc/61/60/40/1433616040.db2.gz PIKKPQOCFSCCHM-MSOLQXFVSA-N 0 1 376.566 3.268 20 0 GGADMN COc1ccccc1CNC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246461788 1433616051 /nfs/dbraw/zinc/61/60/51/1433616051.db2.gz FLZJLYLRKVMEMU-WOJBJXKFSA-N 0 1 386.467 3.039 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246471666 1433617869 /nfs/dbraw/zinc/61/78/69/1433617869.db2.gz WTILITRSSLBIMG-GBRUGROWSA-N 0 1 394.556 3.234 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc2cc(F)ccc2o1 ZINC000246473356 1433618129 /nfs/dbraw/zinc/61/81/29/1433618129.db2.gz CWTRVROHNVLHOE-APWZRJJASA-N 0 1 382.435 3.185 20 0 GGADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)[C@@H](CO)C(C)(C)C)cc1 ZINC000246475451 1433618408 /nfs/dbraw/zinc/61/84/08/1433618408.db2.gz GHAGPUMUUMOZRA-PMACEKPBSA-N 0 1 376.541 3.478 20 0 GGADMN C[C@@H]1CN([C@H](CNCc2ccc(CO)o2)c2c(F)cccc2Cl)CCO1 ZINC000246475564 1433618411 /nfs/dbraw/zinc/61/84/11/1433618411.db2.gz WNTRMZSKZHDMDV-FZKQIMNGSA-N 0 1 382.863 3.116 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC000246480076 1433619193 /nfs/dbraw/zinc/61/91/93/1433619193.db2.gz GPICOZJMCHYAHO-CGTJXYLNSA-N 0 1 375.538 3.205 20 0 GGADMN COc1cc(N[C@@H]2CCCN([C@@H](C)C(=O)NC3CCCC3)C2)cc(OC)c1 ZINC000246479847 1433619307 /nfs/dbraw/zinc/61/93/07/1433619307.db2.gz DEPTYKBZGYSUDR-DOTOQJQBSA-N 0 1 375.513 3.027 20 0 GGADMN COc1cc(N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)cc(OC)c1 ZINC000246491905 1433620515 /nfs/dbraw/zinc/62/05/15/1433620515.db2.gz DTGPJBYGRMMXLK-PKOBYXMFSA-N 0 1 397.519 3.285 20 0 GGADMN COc1cc(N[C@@H]2CCCN([C@@H](C)C(=O)NCc3ccccc3)C2)cc(OC)c1 ZINC000246491905 1433620520 /nfs/dbraw/zinc/62/05/20/1433620520.db2.gz DTGPJBYGRMMXLK-PKOBYXMFSA-N 0 1 397.519 3.285 20 0 GGADMN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1F ZINC000246497823 1433621592 /nfs/dbraw/zinc/62/15/92/1433621592.db2.gz DWSFGRYUSVXICF-LZNRXBQRSA-N 0 1 384.495 3.319 20 0 GGADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000246500329 1433621605 /nfs/dbraw/zinc/62/16/05/1433621605.db2.gz SDJMFRXYJWOSLM-IEBWSBKVSA-N 0 1 397.441 3.102 20 0 GGADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000246500344 1433621657 /nfs/dbraw/zinc/62/16/57/1433621657.db2.gz SDJMFRXYJWOSLM-PKOBYXMFSA-N 0 1 397.441 3.102 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246517275 1433624058 /nfs/dbraw/zinc/62/40/58/1433624058.db2.gz BZGVTLNJEYHPCB-ZIAGYGMSSA-N 0 1 381.402 3.036 20 0 GGADMN CCC[C@@H]1CCCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000246520495 1433624580 /nfs/dbraw/zinc/62/45/80/1433624580.db2.gz KKUHLBBEOFMZAX-CHWSQXEVSA-N 0 1 385.430 3.059 20 0 GGADMN C[C@H](NC(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)c1ccc(Cl)cc1Cl ZINC000246528777 1433625819 /nfs/dbraw/zinc/62/58/19/1433625819.db2.gz CLOGPWSWPTXXCF-UONOGXRCSA-N 0 1 396.322 3.174 20 0 GGADMN C[C@H](NC(=O)CN1CCC[C@@H](Cn2ccnn2)C1)c1ccc(Cl)cc1Cl ZINC000246528777 1433625820 /nfs/dbraw/zinc/62/58/20/1433625820.db2.gz CLOGPWSWPTXXCF-UONOGXRCSA-N 0 1 396.322 3.174 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000246545515 1433629119 /nfs/dbraw/zinc/62/91/19/1433629119.db2.gz LGNPDTHWYIUCGF-AUSIDOKSSA-N 0 1 387.568 3.424 20 0 GGADMN O=C(CCc1ccc(Cl)s1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000246554789 1433630343 /nfs/dbraw/zinc/63/03/43/1433630343.db2.gz HANCKVMXHJJOEB-AEFFLSMTSA-N 0 1 392.952 3.333 20 0 GGADMN O=C(CCc1ccc(Cl)s1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000246554789 1433630346 /nfs/dbraw/zinc/63/03/46/1433630346.db2.gz HANCKVMXHJJOEB-AEFFLSMTSA-N 0 1 392.952 3.333 20 0 GGADMN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000246558633 1433630999 /nfs/dbraw/zinc/63/09/99/1433630999.db2.gz DWAMJIDKXCCEFI-IRXDYDNUSA-N 0 1 379.932 3.020 20 0 GGADMN C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C[C@H](C)N1 ZINC000246566617 1433632334 /nfs/dbraw/zinc/63/23/34/1433632334.db2.gz BBZCFLZWXMMIQX-GQIGUUNPSA-N 0 1 399.922 3.410 20 0 GGADMN O=C(CN1CCC[C@@H](Cn2ccnn2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000246566521 1433632337 /nfs/dbraw/zinc/63/23/37/1433632337.db2.gz FHSSJOCTBAQUJZ-VGSWGCGISA-N 0 1 399.514 3.177 20 0 GGADMN Cc1ccc(C2=NN(C(=O)CN(C)C[C@@H]3CCC[C@H]3O)[C@@H](c3ccco3)C2)cc1 ZINC000246575393 1433633493 /nfs/dbraw/zinc/63/34/93/1433633493.db2.gz LZRLKLSYJADCBC-CEWLAPEOSA-N 0 1 395.503 3.359 20 0 GGADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000246605177 1433638660 /nfs/dbraw/zinc/63/86/60/1433638660.db2.gz HMQQUFLAPZMDFH-JKSUJKDBSA-N 0 1 392.569 3.175 20 0 GGADMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@H]2C[C@H](C)O)cs1 ZINC000246626074 1433641997 /nfs/dbraw/zinc/64/19/97/1433641997.db2.gz ISFTXYODMMHRDO-KSSFIOAISA-N 0 1 385.533 3.243 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1C ZINC000246628278 1433642157 /nfs/dbraw/zinc/64/21/57/1433642157.db2.gz RGACFNIQWMXCCA-IXDOHACOSA-N 0 1 386.496 3.153 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)C[C@@H]1C ZINC000246642364 1433644241 /nfs/dbraw/zinc/64/42/41/1433644241.db2.gz SEVJMXFPBWASRN-CEXWTWQISA-N 0 1 388.556 3.098 20 0 GGADMN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000246652246 1433645503 /nfs/dbraw/zinc/64/55/03/1433645503.db2.gz CQMZLNOXHCQGIJ-VXKWHMMOSA-N 0 1 397.563 3.339 20 0 GGADMN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@H]3C(C)C)C2)c1 ZINC000246653196 1433645585 /nfs/dbraw/zinc/64/55/85/1433645585.db2.gz JJCCKNPFEJAQPT-ICSRJNTNSA-N 0 1 386.540 3.038 20 0 GGADMN CC(=O)N[C@H](CC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC000246658747 1433646404 /nfs/dbraw/zinc/64/64/04/1433646404.db2.gz VYYJTRNFUTVZFV-YFXJRYMSSA-N 0 1 393.531 3.342 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000246657985 1433646428 /nfs/dbraw/zinc/64/64/28/1433646428.db2.gz CZPOUKIWMDJBOQ-QRVBRYPASA-N 0 1 398.551 3.480 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000246657985 1433646430 /nfs/dbraw/zinc/64/64/30/1433646430.db2.gz CZPOUKIWMDJBOQ-QRVBRYPASA-N 0 1 398.551 3.480 20 0 GGADMN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000246677471 1433648708 /nfs/dbraw/zinc/64/87/08/1433648708.db2.gz LQWYGQTZYXEKQO-UYAOXDASSA-N 0 1 383.540 3.066 20 0 GGADMN COCCN1[C@H](C)CN(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)C[C@@H]1C ZINC000246691927 1433650770 /nfs/dbraw/zinc/65/07/70/1433650770.db2.gz WPLWPGALTUKWMT-QLFBSQMISA-N 0 1 382.574 3.252 20 0 GGADMN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000246711294 1433653459 /nfs/dbraw/zinc/65/34/59/1433653459.db2.gz GZMBZCUCHMPMQB-UMVBOHGHSA-N 0 1 382.439 3.200 20 0 GGADMN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000246712563 1433653980 /nfs/dbraw/zinc/65/39/80/1433653980.db2.gz TXYLUHCOQBGMQO-AIAKBTJWSA-N 0 1 397.610 3.264 20 0 GGADMN Cc1cccnc1[C@H](N[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1)C(C)C ZINC000246719675 1433655217 /nfs/dbraw/zinc/65/52/17/1433655217.db2.gz LQUWXWQBEFTJHC-FUHIMQAGSA-N 0 1 383.492 3.021 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246725998 1433655886 /nfs/dbraw/zinc/65/58/86/1433655886.db2.gz OIWFOVNTERFIJT-QZTJIDSGSA-N 0 1 391.895 3.379 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)C[C@@H](C)O1 ZINC000246729982 1433656562 /nfs/dbraw/zinc/65/65/62/1433656562.db2.gz PJUMCXOIAIRNRV-OPYAIIAOSA-N 0 1 388.556 3.098 20 0 GGADMN CN(C(=O)CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[C@H]1CCCc2ccccc21 ZINC000246743307 1433658635 /nfs/dbraw/zinc/65/86/35/1433658635.db2.gz MIBYVOUPSXWRQV-RXVVDRJESA-N 0 1 399.579 3.397 20 0 GGADMN C[C@@H]1CCN(C(=O)CSC[C@H]2CCCCO2)CCN1Cc1ccccc1 ZINC000246769727 1433663259 /nfs/dbraw/zinc/66/32/59/1433663259.db2.gz GDVVVOUOOXNYKB-UYAOXDASSA-N 0 1 376.566 3.412 20 0 GGADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246772002 1433663665 /nfs/dbraw/zinc/66/36/65/1433663665.db2.gz QMSMNNNCXZNSKV-HFTRVMKXSA-N 0 1 395.341 3.297 20 0 GGADMN CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000246795587 1433668656 /nfs/dbraw/zinc/66/86/56/1433668656.db2.gz IATSHVLAVAWQIW-MAODMQOUSA-N 0 1 382.504 3.419 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@H]2OCCC[C@H]2C1)c1ccc(OC(F)(F)F)cc1 ZINC000246798289 1433669214 /nfs/dbraw/zinc/66/92/14/1433669214.db2.gz ROPDJNMOPNHPFX-JLJPHGGASA-N 0 1 386.414 3.263 20 0 GGADMN C[C@H](NC(=O)CN1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(OC(F)(F)F)cc1 ZINC000246798303 1433669330 /nfs/dbraw/zinc/66/93/30/1433669330.db2.gz ROPDJNMOPNHPFX-LXZKKBNFSA-N 0 1 386.414 3.263 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000246801870 1433669963 /nfs/dbraw/zinc/66/99/63/1433669963.db2.gz STQMTNOSUFTCLZ-SJORKVTESA-N 0 1 376.497 3.468 20 0 GGADMN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000246804117 1433670294 /nfs/dbraw/zinc/67/02/94/1433670294.db2.gz KVCPZSCIKJHMDO-NQIIRXRSSA-N 0 1 397.519 3.157 20 0 GGADMN C[C@@H]1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@H]1n1ccnc1 ZINC000246841197 1433677383 /nfs/dbraw/zinc/67/73/83/1433677383.db2.gz ZUFPQWDEKXSCKK-TYCQWZJGSA-N 0 1 388.471 3.251 20 0 GGADMN O=C1[C@H](N2CC[C@@H]3OCCC[C@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000246844782 1433677794 /nfs/dbraw/zinc/67/77/94/1433677794.db2.gz SZZVIOPALAVUFZ-XKQJLSEDSA-N 0 1 384.398 3.191 20 0 GGADMN O=C1[C@H](N2CC[C@H]3OCCC[C@H]3C2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000246844750 1433677806 /nfs/dbraw/zinc/67/78/06/1433677806.db2.gz SZZVIOPALAVUFZ-IAOVAPTHSA-N 0 1 384.398 3.191 20 0 GGADMN COc1ccc(CCCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000246870825 1433680628 /nfs/dbraw/zinc/68/06/28/1433680628.db2.gz UPRGIOPMILIONS-GMAHTHKFSA-N 0 1 396.531 3.017 20 0 GGADMN CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000246876304 1433681382 /nfs/dbraw/zinc/68/13/82/1433681382.db2.gz QZPQDTFBYQMQJY-WIYYLYMNSA-N 0 1 393.531 3.405 20 0 GGADMN CC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000246876304 1433681388 /nfs/dbraw/zinc/68/13/88/1433681388.db2.gz QZPQDTFBYQMQJY-WIYYLYMNSA-N 0 1 393.531 3.405 20 0 GGADMN CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N[C@H](CC(C)C)c1ccccc1)CC2 ZINC000246875297 1433681406 /nfs/dbraw/zinc/68/14/06/1433681406.db2.gz LEMUGNFPTKWVIO-QHAWAJNXSA-N 0 1 388.552 3.142 20 0 GGADMN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246882552 1433682357 /nfs/dbraw/zinc/68/23/57/1433682357.db2.gz BAIIQPJHQQQIPO-QWFCFKBJSA-N 0 1 391.519 3.217 20 0 GGADMN C[C@H](CNC(=O)[C@H](C)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000246882570 1433682419 /nfs/dbraw/zinc/68/24/19/1433682419.db2.gz BAIIQPJHQQQIPO-WSTZPKSXSA-N 0 1 391.519 3.217 20 0 GGADMN CSc1ccc(C)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000246911098 1433686313 /nfs/dbraw/zinc/68/63/13/1433686313.db2.gz VWZPRUNJKMVREY-GHTZIAJQSA-N 0 1 384.545 3.330 20 0 GGADMN CCn1c(=S)n(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)nc1-c1cccnc1 ZINC000246922912 1433687868 /nfs/dbraw/zinc/68/78/68/1433687868.db2.gz GTMVFQSKXMBKHC-IBGZPJMESA-N 0 1 394.548 3.442 20 0 GGADMN CCn1c(=S)n(CN2CCN(C)C[C@H]2c2ccccc2)nc1-c1cccnc1 ZINC000246922912 1433687871 /nfs/dbraw/zinc/68/78/71/1433687871.db2.gz GTMVFQSKXMBKHC-IBGZPJMESA-N 0 1 394.548 3.442 20 0 GGADMN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000246929874 1433688898 /nfs/dbraw/zinc/68/88/98/1433688898.db2.gz DQAYLAPWZPUMFU-QZTJIDSGSA-N 0 1 383.458 3.042 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246976310 1433689465 /nfs/dbraw/zinc/68/94/65/1433689465.db2.gz XYFXDSJWZZQAJI-BJLQDIEVSA-N 0 1 382.508 3.317 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246976310 1433689466 /nfs/dbraw/zinc/68/94/66/1433689466.db2.gz XYFXDSJWZZQAJI-BJLQDIEVSA-N 0 1 382.508 3.317 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246976329 1433689501 /nfs/dbraw/zinc/68/95/01/1433689501.db2.gz XYFXDSJWZZQAJI-CMKODMSKSA-N 0 1 382.508 3.317 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246976329 1433689502 /nfs/dbraw/zinc/68/95/02/1433689502.db2.gz XYFXDSJWZZQAJI-CMKODMSKSA-N 0 1 382.508 3.317 20 0 GGADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247196724 1433689740 /nfs/dbraw/zinc/68/97/40/1433689740.db2.gz WWRHUSXISWMLGM-JNMBUGSCSA-N 0 1 387.545 3.311 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCN1C[C@H](C)O ZINC000247214231 1433691885 /nfs/dbraw/zinc/69/18/85/1433691885.db2.gz YBAJALVCRNBRFW-WMZOPIPTSA-N 0 1 375.513 3.317 20 0 GGADMN CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000247227924 1433693250 /nfs/dbraw/zinc/69/32/50/1433693250.db2.gz WCHNZHNLFSIJGY-SQNIBIBYSA-N 0 1 384.442 3.378 20 0 GGADMN Cc1ccc(C2=NN(C(=O)CN(C)C[C@H]3CCOC3)[C@H](c3ccco3)C2)cc1 ZINC000247229624 1433693575 /nfs/dbraw/zinc/69/35/75/1433693575.db2.gz ZGGBSTOLPVWDBQ-XLIONFOSSA-N 0 1 381.476 3.234 20 0 GGADMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C[C@@H]1CCC[C@H]1O ZINC000247253330 1433696866 /nfs/dbraw/zinc/69/68/66/1433696866.db2.gz ZXFOIJHJQQDCAW-MGPUTAFESA-N 0 1 399.466 3.109 20 0 GGADMN O=C(NC[C@@H]1CCCC[C@H]1O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000247279167 1433699216 /nfs/dbraw/zinc/69/92/16/1433699216.db2.gz SPRNRAOFFASXJJ-RYQLBKOJSA-N 0 1 399.457 3.130 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21)N1CCCC1 ZINC000247308520 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HKLVPZSTRFDVMM-YTFSRNRJSA-N 0 1 393.531 3.320 20 0 GGADMN CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247352109 1433711662 /nfs/dbraw/zinc/71/16/62/1433711662.db2.gz YERKILSFNZXZCU-BXWFABGCSA-N 0 1 377.554 3.066 20 0 GGADMN CSC[C@@H]1CCCN1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247352109 1433711663 /nfs/dbraw/zinc/71/16/63/1433711663.db2.gz YERKILSFNZXZCU-BXWFABGCSA-N 0 1 377.554 3.066 20 0 GGADMN COc1cccc(CNC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000247368437 1433714233 /nfs/dbraw/zinc/71/42/33/1433714233.db2.gz HPCFBWMTESZPGU-UYAOXDASSA-N 0 1 386.492 3.273 20 0 GGADMN CCN(C)[C@@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1 ZINC000247401028 1433716734 /nfs/dbraw/zinc/71/67/34/1433716734.db2.gz LORZKWPDWOUTCQ-QZTJIDSGSA-N 0 1 375.513 3.099 20 0 GGADMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000247402018 1433717221 /nfs/dbraw/zinc/71/72/21/1433717221.db2.gz ROCJWXIIQGWCSZ-TUNNFDKTSA-N 0 1 386.584 3.154 20 0 GGADMN CNC(=O)[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000247402787 1433717246 /nfs/dbraw/zinc/71/72/46/1433717246.db2.gz BLMUZPKQBUAAMS-WIYYLYMNSA-N 0 1 399.922 3.004 20 0 GGADMN CCN(C(=O)[C@H](C)N1CCC[C@@H](c2nnc3ccccn32)C1)C1CCCCC1 ZINC000247442860 1433722706 /nfs/dbraw/zinc/72/27/06/1433722706.db2.gz XYDLQOPJOHABTC-ZWKOTPCHSA-N 0 1 383.540 3.478 20 0 GGADMN O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247446067 1433723431 /nfs/dbraw/zinc/72/34/31/1433723431.db2.gz IZWWSFFXCMYPCZ-QFBILLFUSA-N 0 1 382.460 3.244 20 0 GGADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247450776 1433724660 /nfs/dbraw/zinc/72/46/60/1433724660.db2.gz OWUQGFQBGUKVEY-XUVXKRRUSA-N 0 1 375.488 3.047 20 0 GGADMN COC(C)(C)C[C@@H](C)NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000247455455 1433724755 /nfs/dbraw/zinc/72/47/55/1433724755.db2.gz PQCURQICJLPADA-KURKYZTESA-N 0 1 391.556 3.299 20 0 GGADMN COc1ccccc1COC[C@H](O)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247502931 1433730612 /nfs/dbraw/zinc/73/06/12/1433730612.db2.gz OAPZHRWLJXNXKE-PGCKSFNISA-N 0 1 385.504 3.423 20 0 GGADMN CCOc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C)c1 ZINC000247511241 1433731692 /nfs/dbraw/zinc/73/16/92/1433731692.db2.gz NDNOUDUPBIWNGX-SIKLNZKXSA-N 0 1 397.519 3.398 20 0 GGADMN CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000247515086 1433732030 /nfs/dbraw/zinc/73/20/30/1433732030.db2.gz KCALYTVHFMLDRE-WCQYABFASA-N 0 1 382.386 3.274 20 0 GGADMN CNC(=O)[C@@H]1CCCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000247515086 1433732038 /nfs/dbraw/zinc/73/20/38/1433732038.db2.gz KCALYTVHFMLDRE-WCQYABFASA-N 0 1 382.386 3.274 20 0 GGADMN CC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccs1 ZINC000247520047 1433732259 /nfs/dbraw/zinc/73/22/59/1433732259.db2.gz NZALPROBBJWRKG-FHWLQOOXSA-N 0 1 387.549 3.381 20 0 GGADMN Cc1cc(C)c(NC(=O)[C@H](C)ON=C(N)CN2CCCC[C@H]2C)c(Cl)c1 ZINC000247525002 1433733653 /nfs/dbraw/zinc/73/36/53/1433733653.db2.gz XAKCDMFKUKEOLS-CABCVRRESA-N 0 1 380.920 3.447 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000247543388 1433735346 /nfs/dbraw/zinc/73/53/46/1433735346.db2.gz QFSFIBXQWDTIOM-SAJDGTNDSA-N 0 1 389.565 3.003 20 0 GGADMN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247542157 1433735377 /nfs/dbraw/zinc/73/53/77/1433735377.db2.gz KBQTVXRZGMYTGS-CKEIUWERSA-N 0 1 378.423 3.395 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247542170 1433735661 /nfs/dbraw/zinc/73/56/61/1433735661.db2.gz KBQTVXRZGMYTGS-JKIFEVAISA-N 0 1 378.423 3.395 20 0 GGADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000247545287 1433735690 /nfs/dbraw/zinc/73/56/90/1433735690.db2.gz DLRPBAUELFGBDF-QLFBSQMISA-N 0 1 382.574 3.300 20 0 GGADMN CCc1cc(N2CCC[C@H](N[C@@H](C(=O)N(CC)CC)c3ccccc3)C2)ncn1 ZINC000247579743 1433739107 /nfs/dbraw/zinc/73/91/07/1433739107.db2.gz YHMJIMXKJWAQBE-RBBKRZOGSA-N 0 1 395.551 3.207 20 0 GGADMN C[C@H](O)C[C@H](CNC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1ccccc1 ZINC000247582395 1433739776 /nfs/dbraw/zinc/73/97/76/1433739776.db2.gz LZLODBBZDPUTEJ-SFYKDHMMSA-N 0 1 395.547 3.287 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H](OCC(C)C)C2)c(OC)c1 ZINC000247625992 1433740582 /nfs/dbraw/zinc/74/05/82/1433740582.db2.gz NMYUSPJTTRYIPD-ICSRJNTNSA-N 0 1 390.524 3.114 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](OCC(C)C)C2)c(OC)c1 ZINC000247625999 1433740874 /nfs/dbraw/zinc/74/08/74/1433740874.db2.gz NMYUSPJTTRYIPD-QUCCMNQESA-N 0 1 390.524 3.114 20 0 GGADMN COc1ccc(C)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000247634195 1433741324 /nfs/dbraw/zinc/74/13/24/1433741324.db2.gz TZCICIFFTRZPJV-AZUAARDMSA-N 0 1 383.492 3.008 20 0 GGADMN CC(C)[C@@H]1CN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CCS1 ZINC000247642055 1433741844 /nfs/dbraw/zinc/74/18/44/1433741844.db2.gz TVUNKTHBIFTIQV-KHYOSLBOSA-N 0 1 378.538 3.097 20 0 GGADMN Cc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)o1 ZINC000247645568 1433742545 /nfs/dbraw/zinc/74/25/45/1433742545.db2.gz UGTPKRVQKBKMKR-OGWOLHLISA-N 0 1 382.460 3.018 20 0 GGADMN CCc1nc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)sc1C ZINC000247650938 1433743249 /nfs/dbraw/zinc/74/32/49/1433743249.db2.gz WINOSDXUSHIZFU-FUHWJXTLSA-N 0 1 388.537 3.018 20 0 GGADMN Cc1nc2ccc(NC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)cc2o1 ZINC000247656415 1433744367 /nfs/dbraw/zinc/74/43/67/1433744367.db2.gz XECOVPUEERZPMJ-FXAWDEMLSA-N 0 1 394.475 3.141 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C[C@H](C)O1 ZINC000247658789 1433744381 /nfs/dbraw/zinc/74/43/81/1433744381.db2.gz ZEFMYFMXXQSROV-ILZDJORESA-N 0 1 375.513 3.041 20 0 GGADMN CCOc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000247671836 1433745608 /nfs/dbraw/zinc/74/56/08/1433745608.db2.gz ZOOUVXJLMVPVIF-RXVVDRJESA-N 0 1 383.492 3.090 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CC[C@@H](OCC(C)C)C2)c1 ZINC000247677019 1433745869 /nfs/dbraw/zinc/74/58/69/1433745869.db2.gz RJGFUMUQXHGXRC-QUCCMNQESA-N 0 1 390.524 3.114 20 0 GGADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000247689161 1433746442 /nfs/dbraw/zinc/74/64/42/1433746442.db2.gz QJVZVIRONDODQV-NNWRFLSQSA-N 0 1 395.547 3.043 20 0 GGADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCS[C@@H](C(C)C)C2)c1 ZINC000247697909 1433747152 /nfs/dbraw/zinc/74/71/52/1433747152.db2.gz XBSFBIIXQIJTMQ-AZUAARDMSA-N 0 1 392.565 3.441 20 0 GGADMN O=C(CN1CCCC[C@H]1CCO)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000247728359 1433747853 /nfs/dbraw/zinc/74/78/53/1433747853.db2.gz TZVQAIYGCXPDCR-AVRDEDQJSA-N 0 1 384.545 3.459 20 0 GGADMN COC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)nc1 ZINC000247813452 1433752511 /nfs/dbraw/zinc/75/25/11/1433752511.db2.gz AXVNGNRNKKUQDH-QGZVFWFLSA-N 0 1 387.505 3.133 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000247941974 1433757555 /nfs/dbraw/zinc/75/75/55/1433757555.db2.gz NQBWMTDMUPJUDM-UHFFFAOYSA-N 0 1 381.476 3.002 20 0 GGADMN CCC[NH+]1CCC(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)CC1 ZINC000247993754 1433762110 /nfs/dbraw/zinc/76/21/10/1433762110.db2.gz LOUROWMHZGBIIZ-UHFFFAOYSA-N 0 1 379.555 3.050 20 0 GGADMN COc1ccc([C@@H](C)N(C)C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000248010488 1433763425 /nfs/dbraw/zinc/76/34/25/1433763425.db2.gz DSTOGSAPPRGAEA-GFCCVEGCSA-N 0 1 383.473 3.064 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)N1CCCC1 ZINC000248030955 1433764673 /nfs/dbraw/zinc/76/46/73/1433764673.db2.gz QILJEBOHIDEALS-JFJDKTSWSA-N 0 1 391.515 3.470 20 0 GGADMN Cc1cccc(CN2CCN(c3nc(N(C)C)cc(C(F)(F)F)n3)CC2)c1 ZINC000248085931 1433768834 /nfs/dbraw/zinc/76/88/34/1433768834.db2.gz DNCKWJYNGRIYDK-UHFFFAOYSA-N 0 1 379.430 3.192 20 0 GGADMN CN(C)c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000248114908 1433770415 /nfs/dbraw/zinc/77/04/15/1433770415.db2.gz LFZNWXKOAPKFSI-UHFFFAOYSA-N 0 1 388.880 3.194 20 0 GGADMN CN1CCN(c2ccc(CNC(=O)c3sccc3-c3ccccc3)cn2)CC1 ZINC000248147621 1433774769 /nfs/dbraw/zinc/77/47/69/1433774769.db2.gz SIELXYMEWXKPPP-UHFFFAOYSA-N 0 1 392.528 3.492 20 0 GGADMN CCOc1ccc(OCC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000248179495 1433778084 /nfs/dbraw/zinc/77/80/84/1433778084.db2.gz CITVLAWICTYAPM-OAQYLSRUSA-N 0 1 398.503 3.426 20 0 GGADMN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000248241379 1433781853 /nfs/dbraw/zinc/78/18/53/1433781853.db2.gz FDHYBMXKEGDNKC-WOJBJXKFSA-N 0 1 390.524 3.316 20 0 GGADMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccco3)n[nH]2)N2CCCC2)cc1 ZINC000248244019 1433782403 /nfs/dbraw/zinc/78/24/03/1433782403.db2.gz KPWKDUYLPRYWAF-IBGZPJMESA-N 0 1 380.448 3.245 20 0 GGADMN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000248243870 1433782417 /nfs/dbraw/zinc/78/24/17/1433782417.db2.gz GAIDBGWDKOUWAW-HXUWFJFHSA-N 0 1 385.508 3.051 20 0 GGADMN COc1ccccc1CCNC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000248247093 1433782514 /nfs/dbraw/zinc/78/25/14/1433782514.db2.gz MVJIBXPHPCMHGT-VAWYXSNFSA-N 0 1 394.500 3.435 20 0 GGADMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccco3)n[nH]2)N2CCCC2)cc1 ZINC000248244020 1433782672 /nfs/dbraw/zinc/78/26/72/1433782672.db2.gz KPWKDUYLPRYWAF-LJQANCHMSA-N 0 1 380.448 3.245 20 0 GGADMN C[C@@H](NC(=O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)c1ccccc1 ZINC000248330557 1433786533 /nfs/dbraw/zinc/78/65/33/1433786533.db2.gz DOHXMHGAMYCSBA-MOPGFXCFSA-N 0 1 379.504 3.006 20 0 GGADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248371166 1433788648 /nfs/dbraw/zinc/78/86/48/1433788648.db2.gz YJEVTAPUKRVDDH-DYXWJJEUSA-N 0 1 385.552 3.166 20 0 GGADMN O=C(CC1CCC(C(F)(F)F)CC1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000248372776 1433789088 /nfs/dbraw/zinc/78/90/88/1433789088.db2.gz CLKZLNQANPXBFK-SOTJZCEJSA-N 0 1 398.469 3.497 20 0 GGADMN CCOC(=O)CC[C@@H]1CCCN(CN2C[C@@H](c3ccccc3F)CC2=O)C1 ZINC000248373146 1433789263 /nfs/dbraw/zinc/78/92/63/1433789263.db2.gz GRQDOHZRVFXLAK-IRXDYDNUSA-N 0 1 376.472 3.154 20 0 GGADMN 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CC(=O)N[C@H]1CCCN(C(=O)CN2CCCCC[C@H]2/C=C/c2cccs2)C1 ZINC000248386856 1433792662 /nfs/dbraw/zinc/79/26/62/1433792662.db2.gz OBYAPWDGOAYBPA-MIMFYIINSA-N 0 1 389.565 3.133 20 0 GGADMN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000248403923 1433798923 /nfs/dbraw/zinc/79/89/23/1433798923.db2.gz ZIAQJFAJYPKXLG-GDLCADMTSA-N 0 1 382.386 3.450 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC000248407797 1433799732 /nfs/dbraw/zinc/79/97/32/1433799732.db2.gz DJUFWKOQSTUHER-YDIMBITNSA-N 0 1 396.531 3.210 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@](C)(O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000248407796 1433799930 /nfs/dbraw/zinc/79/99/30/1433799930.db2.gz DJUFWKOQSTUHER-KHCICDEESA-N 0 1 396.531 3.210 20 0 GGADMN C[C@@H]1CN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)[C@H]2CCCC[C@@H]12 ZINC000248411547 1433800712 /nfs/dbraw/zinc/80/07/12/1433800712.db2.gz DUBBWOLPSQGRKU-YCPHGPKFSA-N 0 1 383.521 3.185 20 0 GGADMN C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248415203 1433800839 /nfs/dbraw/zinc/80/08/39/1433800839.db2.gz NUQJGYKNEALQQS-MAUKXSAKSA-N 0 1 394.523 3.022 20 0 GGADMN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000248417757 1433801123 /nfs/dbraw/zinc/80/11/23/1433801123.db2.gz RPYBKZVDMLQSPC-BBWFWOEESA-N 0 1 375.517 3.022 20 0 GGADMN C[C@H](CN(C)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1nn[nH]n1 ZINC000248422359 1433801492 /nfs/dbraw/zinc/80/14/92/1433801492.db2.gz CDDWQWVSSMRSGQ-MGPQQGTHSA-N 0 1 382.493 3.121 20 0 GGADMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248428404 1433801864 /nfs/dbraw/zinc/80/18/64/1433801864.db2.gz PCKMEVVMGIMONU-XUWVNRHRSA-N 0 1 386.462 3.432 20 0 GGADMN CC[C@H]1CN(C(=O)C[C@H]2c3ccccc3NC2=O)CCN1Cc1ccccc1 ZINC000248434044 1433802205 /nfs/dbraw/zinc/80/22/05/1433802205.db2.gz YKVIJLUCAXPGFI-ICSRJNTNSA-N 0 1 377.488 3.235 20 0 GGADMN CCN(c1ccc(NC(=O)CN2CCC[C@@H](C3(C)OCCO3)C2)cc1)C(C)C 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FHEKVVRHSXMSRG-OGWOLHLISA-N 0 1 383.483 3.149 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248452612 1433803941 /nfs/dbraw/zinc/80/39/41/1433803941.db2.gz JPTWDJWJEAWCQN-UONOGXRCSA-N 0 1 397.313 3.251 20 0 GGADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000248457077 1433804241 /nfs/dbraw/zinc/80/42/41/1433804241.db2.gz OIYVXGYROMSNOI-JYJNAYRXSA-N 0 1 384.524 3.056 20 0 GGADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248467114 1433805000 /nfs/dbraw/zinc/80/50/00/1433805000.db2.gz SQIHXEWJTIECAB-LZLYRXPVSA-N 0 1 386.492 3.474 20 0 GGADMN C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248467952 1433805043 /nfs/dbraw/zinc/80/50/43/1433805043.db2.gz TWTSNEGEMFCXOF-ZIAGYGMSSA-N 0 1 375.494 3.098 20 0 GGADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H](C2(C)OCCO2)C1 ZINC000248478543 1433805574 /nfs/dbraw/zinc/80/55/74/1433805574.db2.gz ZIUFWQZVXGIAOW-FUHWJXTLSA-N 0 1 386.492 3.427 20 0 GGADMN C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)C[N@H+]1C1CC1 ZINC000248516725 1433806529 /nfs/dbraw/zinc/80/65/29/1433806529.db2.gz HIXXBCQVUZCLDM-UVBSCNOISA-N 0 1 381.879 3.187 20 0 GGADMN C[S@](=O)C[C@@H](NC[C@@H](O)COc1cccc2ccccc21)c1ccccc1 ZINC000248540583 1433807616 /nfs/dbraw/zinc/80/76/16/1433807616.db2.gz BHXZDVCHVPNTAK-ZOIIRCJOSA-N 0 1 383.513 3.289 20 0 GGADMN C[C@@H]1CCc2c(sc3nc(CN4CCCC[C@H]4c4nnc[nH]4)nc(N)c23)C1 ZINC000248552862 1433808090 /nfs/dbraw/zinc/80/80/90/1433808090.db2.gz KYIQLDZHMDATGB-YPMHNXCESA-N 0 1 383.525 3.244 20 0 GGADMN CCO[C@H](C)c1noc(CN[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000248555398 1433808118 /nfs/dbraw/zinc/80/81/18/1433808118.db2.gz KLACQCNEWPDMJH-QLFBSQMISA-N 0 1 382.505 3.340 20 0 GGADMN COc1ccc2nc(CN3CCC[C@@H]3CN3C[C@H](C)O[C@@H](C)C3)sc2c1 ZINC000248556686 1433808246 /nfs/dbraw/zinc/80/82/46/1433808246.db2.gz LAVITCHTCAQHDS-HRCADAONSA-N 0 1 375.538 3.379 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C[C@H]1C ZINC000248564261 1433808709 /nfs/dbraw/zinc/80/87/09/1433808709.db2.gz BJYMZEGKZQAZRV-GLJUWKHASA-N 0 1 399.457 3.253 20 0 GGADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[C@H]3CCCCO3)c2C1 ZINC000248597564 1433810363 /nfs/dbraw/zinc/81/03/63/1433810363.db2.gz TXMFKSOYIPAYJY-SJLPKXTDSA-N 0 1 387.524 3.061 20 0 GGADMN Cc1ccc([C@H](OC[C@H](O)CN(C)[C@H](C)C[S@@](C)=O)c2ccccc2)cc1 ZINC000248602239 1433810706 /nfs/dbraw/zinc/81/07/06/1433810706.db2.gz DGEFVWJSUCEQRX-RMAROTPOSA-N 0 1 389.561 3.161 20 0 GGADMN CC(C)OC(=O)C[C@H]1CCCN([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000248633186 1433812760 /nfs/dbraw/zinc/81/27/60/1433812760.db2.gz RZPFPZPEZVGWAS-SJLPKXTDSA-N 0 1 378.488 3.226 20 0 GGADMN CCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCN1CCOC ZINC000248652542 1433813922 /nfs/dbraw/zinc/81/39/22/1433813922.db2.gz UADPRLZAXKKFCD-PMPSAXMXSA-N 0 1 384.442 3.167 20 0 GGADMN Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)N2CCCC2)o1 ZINC000248657331 1433814084 /nfs/dbraw/zinc/81/40/84/1433814084.db2.gz FITBQLIKXPYJHU-ULQDDVLXSA-N 0 1 393.528 3.390 20 0 GGADMN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N[C@H]1CCCc2occc21 ZINC000248661710 1433814352 /nfs/dbraw/zinc/81/43/52/1433814352.db2.gz IIJFKNLCOVZJIF-ICSRJNTNSA-N 0 1 383.492 3.247 20 0 GGADMN C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000248673124 1433814599 /nfs/dbraw/zinc/81/45/99/1433814599.db2.gz VQQQNKDYWSOWJW-IEBWSBKVSA-N 0 1 377.488 3.315 20 0 GGADMN C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC000248679981 1433815075 /nfs/dbraw/zinc/81/50/75/1433815075.db2.gz VVOIZTIVEPHTQF-JKIFEVAISA-N 0 1 381.492 3.094 20 0 GGADMN CC1([C@@H]2CCCN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)OCCO1 ZINC000248706138 1433816350 /nfs/dbraw/zinc/81/63/50/1433816350.db2.gz LYRXMHQWIQXXMY-PBHICJAKSA-N 0 1 398.425 3.286 20 0 GGADMN CC1([C@H]2CCCN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)OCCO1 ZINC000248706141 1433816403 /nfs/dbraw/zinc/81/64/03/1433816403.db2.gz LYRXMHQWIQXXMY-YOEHRIQHSA-N 0 1 398.425 3.286 20 0 GGADMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248711141 1433816849 /nfs/dbraw/zinc/81/68/49/1433816849.db2.gz IXGSMDLNEBKXLC-CZUORRHYSA-N 0 1 392.887 3.322 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000248712530 1433816860 /nfs/dbraw/zinc/81/68/60/1433816860.db2.gz BKZCTUMBCBNNTN-DNVCBOLYSA-N 0 1 385.895 3.224 20 0 GGADMN CCOC(=O)[C@@]1(C(C)C)CCN([C@@H](C)C(=O)Nc2ccccc2OCC)C1 ZINC000248723017 1433817666 /nfs/dbraw/zinc/81/76/66/1433817666.db2.gz GNLWAKLRNFTBSU-KKSFZXQISA-N 0 1 376.497 3.324 20 0 GGADMN CO[C@@H](C)c1noc(CN2CCCN(Cc3ccc(Cl)cc3C)CC2)n1 ZINC000248734498 1433818561 /nfs/dbraw/zinc/81/85/61/1433818561.db2.gz PMEYAPMLODIHEJ-HNNXBMFYSA-N 0 1 378.904 3.447 20 0 GGADMN CC[C@@H]1CN(C(=O)NC[C@H](C)CC2(C)OCCO2)CCN1Cc1ccccc1 ZINC000248738670 1433819082 /nfs/dbraw/zinc/81/90/82/1433819082.db2.gz PTTNDUIMHUPJIC-UYAOXDASSA-N 0 1 389.540 3.082 20 0 GGADMN C[C@@H]1CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000248741162 1433819128 /nfs/dbraw/zinc/81/91/28/1433819128.db2.gz AWYXCFMOFHFMNO-HDEZJCGLSA-N 0 1 384.442 3.424 20 0 GGADMN CCCNC(=O)[C@H]1CCCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000248742095 1433819327 /nfs/dbraw/zinc/81/93/27/1433819327.db2.gz RTAMDJJAOJRVEF-YOEHRIQHSA-N 0 1 397.441 3.049 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248743314 1433819330 /nfs/dbraw/zinc/81/93/30/1433819330.db2.gz BQTQPSBBTYNAMV-OXQOHEQNSA-N 0 1 385.552 3.377 20 0 GGADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000248743314 1433819331 /nfs/dbraw/zinc/81/93/31/1433819331.db2.gz BQTQPSBBTYNAMV-OXQOHEQNSA-N 0 1 385.552 3.377 20 0 GGADMN CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1 ZINC000248743668 1433819397 /nfs/dbraw/zinc/81/93/97/1433819397.db2.gz CJUMGLYOKLEDOE-WMQCIHAUSA-N 0 1 385.552 3.271 20 0 GGADMN 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GGADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000248894111 1433828275 /nfs/dbraw/zinc/82/82/75/1433828275.db2.gz SXSXSEQCKGDRHM-FZKQIMNGSA-N 0 1 389.858 3.054 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(C)CC1 ZINC000248905755 1433828867 /nfs/dbraw/zinc/82/88/67/1433828867.db2.gz YWGPIHFVMRXKBT-LNLFQRSKSA-N 0 1 397.485 3.197 20 0 GGADMN CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCN(C)CC1 ZINC000248905760 1433828881 /nfs/dbraw/zinc/82/88/81/1433828881.db2.gz YWGPIHFVMRXKBT-SCTDSRPQSA-N 0 1 397.485 3.197 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000248914416 1433829303 /nfs/dbraw/zinc/82/93/03/1433829303.db2.gz VWLQGALDQGPQIW-TZMCWYRMSA-N 0 1 398.454 3.482 20 0 GGADMN CCN(C[C@H]1CCN(CN2C[C@@H](CC(C)(C)C)CC2=O)C1)CC(F)(F)F ZINC000248933808 1433829653 /nfs/dbraw/zinc/82/96/53/1433829653.db2.gz BQUJNCRRVGRVOP-HZPDHXFCSA-N 0 1 377.495 3.435 20 0 GGADMN COC(=O)[C@@H]1CCN(Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C 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390.430 3.270 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000249133672 1433836740 /nfs/dbraw/zinc/83/67/40/1433836740.db2.gz TZMGWFQMFOKFNM-IAGOWNOFSA-N 0 1 377.529 3.021 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000249133672 1433836741 /nfs/dbraw/zinc/83/67/41/1433836741.db2.gz TZMGWFQMFOKFNM-IAGOWNOFSA-N 0 1 377.529 3.021 20 0 GGADMN CC[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccccc1OC(F)F ZINC000249135752 1433836945 /nfs/dbraw/zinc/83/69/45/1433836945.db2.gz UIIZIYLMUASYSB-GDBMZVCRSA-N 0 1 399.482 3.226 20 0 GGADMN COc1ccc(OC)c([C@H](C)NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000249134920 1433836961 /nfs/dbraw/zinc/83/69/61/1433836961.db2.gz YOCODQARZJDYOF-LYLBAIIYSA-N 0 1 384.476 3.001 20 0 GGADMN CC(C)C[C@@]1(CO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000249156119 1433837709 /nfs/dbraw/zinc/83/77/09/1433837709.db2.gz YTVIPFFWEKCKRV-XMSQKQJNSA-N 0 1 399.491 3.423 20 0 GGADMN CC[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1 ZINC000249277062 1433840233 /nfs/dbraw/zinc/84/02/33/1433840233.db2.gz MJLOJPPHJLQAKK-SHTZXODSSA-N 0 1 388.493 3.432 20 0 GGADMN Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C(F)(F)F)n1 ZINC000249280499 1433840354 /nfs/dbraw/zinc/84/03/54/1433840354.db2.gz PAPKUUIVKGPITL-WBMJQRKESA-N 0 1 378.398 3.054 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000249284032 1433840430 /nfs/dbraw/zinc/84/04/30/1433840430.db2.gz HPDUNJFCNPXWHT-SFTDATJTSA-N 0 1 381.520 3.251 20 0 GGADMN C[C@H](O)C[N@H+]1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC000249295156 1433840662 /nfs/dbraw/zinc/84/06/62/1433840662.db2.gz QSGSIGPBLFTPHX-CABCVRRESA-N 0 1 395.956 3.262 20 0 GGADMN C[C@H](O)CN1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC000249295156 1433840663 /nfs/dbraw/zinc/84/06/63/1433840663.db2.gz QSGSIGPBLFTPHX-CABCVRRESA-N 0 1 395.956 3.262 20 0 GGADMN CC(C)CN1CCO[C@@H](CNC(=O)N(C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000249312292 1433841097 /nfs/dbraw/zinc/84/10/97/1433841097.db2.gz MSAHLYCWOYZWSC-CVEARBPZSA-N 0 1 390.553 3.356 20 0 GGADMN Cc1cc(C(=O)CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(C)n1CCC(C)C ZINC000249329493 1433841395 /nfs/dbraw/zinc/84/13/95/1433841395.db2.gz HIWPHMPZHOEVTI-SFHVURJKSA-N 0 1 377.573 3.111 20 0 GGADMN Cc1cc(C(=O)CN2CCN(CC(C)(C)O)[C@@H](C)C2)c(C)n1CCC(C)C ZINC000249329493 1433841397 /nfs/dbraw/zinc/84/13/97/1433841397.db2.gz HIWPHMPZHOEVTI-SFHVURJKSA-N 0 1 377.573 3.111 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000249342830 1433841558 /nfs/dbraw/zinc/84/15/58/1433841558.db2.gz JDNNHTJLDQIQSI-HUUCEWRRSA-N 0 1 386.458 3.188 20 0 GGADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000249342826 1433841575 /nfs/dbraw/zinc/84/15/75/1433841575.db2.gz JDNNHTJLDQIQSI-CABCVRRESA-N 0 1 386.458 3.188 20 0 GGADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC(C)(C)O)[C@@H](C)C2)c(Cl)c1 ZINC000249390374 1433842365 /nfs/dbraw/zinc/84/23/65/1433842365.db2.gz QTCVPGXHGAHROO-JKSUJKDBSA-N 0 1 381.948 3.061 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)cc2Cl)CCN1C[C@H](C)O ZINC000249392346 1433842557 /nfs/dbraw/zinc/84/25/57/1433842557.db2.gz SAMOGDYYEXLJPU-LSDHHAIUSA-N 0 1 383.920 3.436 20 0 GGADMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249414506 1433843292 /nfs/dbraw/zinc/84/32/92/1433843292.db2.gz VVKIWKBOUGBDOJ-BZSNNMDCSA-N 0 1 375.557 3.304 20 0 GGADMN CC[C@@H]1CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000249429358 1433843604 /nfs/dbraw/zinc/84/36/04/1433843604.db2.gz JIAURBXBRDPGFV-WOJBJXKFSA-N 0 1 397.523 3.048 20 0 GGADMN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCN1Cc1ccccc1 ZINC000249428561 1433843624 /nfs/dbraw/zinc/84/36/24/1433843624.db2.gz YSMJYVHMIIAUNU-LMMKCTJWSA-N 0 1 384.442 3.251 20 0 GGADMN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN1Cc1ccccc1 ZINC000249428558 1433843673 /nfs/dbraw/zinc/84/36/73/1433843673.db2.gz YSMJYVHMIIAUNU-AOIWGVFYSA-N 0 1 384.442 3.251 20 0 GGADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000249451664 1433844134 /nfs/dbraw/zinc/84/41/34/1433844134.db2.gz ONICOMPXZAYSPI-KSZLIROESA-N 0 1 399.457 3.042 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CCO)N1CCCCC1 ZINC000249501220 1433845217 /nfs/dbraw/zinc/84/52/17/1433845217.db2.gz IUBKYGJKSOWGGO-SXLOBPIMSA-N 0 1 389.540 3.073 20 0 GGADMN COc1cccc([C@@H]2CCCN2C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000249507660 1433845337 /nfs/dbraw/zinc/84/53/37/1433845337.db2.gz JVEXVOKUTGALHV-ZWOKBUDYSA-N 0 1 375.513 3.041 20 0 GGADMN COc1cccc([C@@H]2CCCN2C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000249507651 1433845361 /nfs/dbraw/zinc/84/53/61/1433845361.db2.gz JVEXVOKUTGALHV-HLIPFELVSA-N 0 1 375.513 3.041 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)CC1=O ZINC000249524140 1433846315 /nfs/dbraw/zinc/84/63/15/1433846315.db2.gz QRFYKHTWEKVVGF-KBAYOESNSA-N 0 1 385.533 3.077 20 0 GGADMN CC[C@@]1(CO)CCCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000249554799 1433846962 /nfs/dbraw/zinc/84/69/62/1433846962.db2.gz JIPFNMIFYPJJGF-RDTXWAMCSA-N 0 1 388.430 3.247 20 0 GGADMN C[C@@H]1CN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC[C@H]1O ZINC000249566684 1433847088 /nfs/dbraw/zinc/84/70/88/1433847088.db2.gz NDQKDMKGBAVHKW-HCLVMJGWSA-N 0 1 391.515 3.119 20 0 GGADMN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CC1=O ZINC000249611315 1433848052 /nfs/dbraw/zinc/84/80/52/1433848052.db2.gz KIWIWVHVDWRWCI-LKUPVBHCSA-N 0 1 397.494 3.154 20 0 GGADMN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000249626064 1433848374 /nfs/dbraw/zinc/84/83/74/1433848374.db2.gz UBFFILXLBHTJLR-IAGOWNOFSA-N 0 1 394.475 3.074 20 0 GGADMN CCN(C)c1ccc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cn1 ZINC000249655123 1433848639 /nfs/dbraw/zinc/84/86/39/1433848639.db2.gz VHUIWRQGMPUWAV-TZIWHRDSSA-N 0 1 388.943 3.353 20 0 GGADMN CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000249682167 1433848699 /nfs/dbraw/zinc/84/86/99/1433848699.db2.gz FOHNBACGMKRELE-NQIIRXRSSA-N 0 1 382.508 3.352 20 0 GGADMN CNC(=O)[C@H](NC(=O)CN1CCCCC[C@H]1c1ccccc1)c1ccccc1 ZINC000249681256 1433848714 /nfs/dbraw/zinc/84/87/14/1433848714.db2.gz CRHYNIIXNOTXLL-RBBKRZOGSA-N 0 1 379.504 3.207 20 0 GGADMN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000249685153 1433848920 /nfs/dbraw/zinc/84/89/20/1433848920.db2.gz MBUJMOORYSQJGS-RTWAWAEBSA-N 0 1 385.552 3.248 20 0 GGADMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249705144 1433849380 /nfs/dbraw/zinc/84/93/80/1433849380.db2.gz AGQWQGYEEWJTQY-OXJNMPFZSA-N 0 1 379.504 3.405 20 0 GGADMN O=C(CN1CCCC[C@H]1CO)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000249713627 1433849454 /nfs/dbraw/zinc/84/94/54/1433849454.db2.gz GQAUWIZDKOUKFE-FPOVZHCZSA-N 0 1 391.515 3.263 20 0 GGADMN O=C(CN1CCCC[C@H]1CO)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000249713628 1433849483 /nfs/dbraw/zinc/84/94/83/1433849483.db2.gz GQAUWIZDKOUKFE-PZJWPPBQSA-N 0 1 391.515 3.263 20 0 GGADMN C[C@H](c1ccccc1)N(C)CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000249720047 1433849702 /nfs/dbraw/zinc/84/97/02/1433849702.db2.gz LOAGYJBMDIOGHP-RTBURBONSA-N 0 1 385.552 3.177 20 0 GGADMN Cc1ccccc1C(=O)NC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000249715544 1433849714 /nfs/dbraw/zinc/84/97/14/1433849714.db2.gz IBWLQOAAMFXCIO-ZHALLVOQSA-N 0 1 385.552 3.082 20 0 GGADMN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000249728486 1433850136 /nfs/dbraw/zinc/85/01/36/1433850136.db2.gz ROHPFJPSJSMARC-AUUYWEPGSA-N 0 1 384.863 3.134 20 0 GGADMN CCCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@H](C)c1cc2ccccc2o1 ZINC000249733225 1433850245 /nfs/dbraw/zinc/85/02/45/1433850245.db2.gz CDHQXSWKQNLIQS-VQIMIIECSA-N 0 1 385.508 3.333 20 0 GGADMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)N[C@H]1CCc2c1cccc2Cl ZINC000249771464 1433851844 /nfs/dbraw/zinc/85/18/44/1433851844.db2.gz LEUFKINCYCTJMF-UTKZUKDTSA-N 0 1 399.922 3.046 20 0 GGADMN COc1ccc([C@@H]2CCN(CC(=O)N[C@@H](C)c3cc(OC)ccc3OC)C2)cc1 ZINC000249808713 1433852511 /nfs/dbraw/zinc/85/25/11/1433852511.db2.gz CCIVXSXCOSBNKH-FUHWJXTLSA-N 0 1 398.503 3.379 20 0 GGADMN CCCN1CCCC[C@H]1C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000250036403 1433854123 /nfs/dbraw/zinc/85/41/23/1433854123.db2.gz SUUKRYHMMQIBRM-LPHOPBHVSA-N 0 1 383.496 3.286 20 0 GGADMN CCN(C)[C@H](C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccccc1 ZINC000250082770 1433854304 /nfs/dbraw/zinc/85/43/04/1433854304.db2.gz UURZEYJXVRIUAA-YADHBBJMSA-N 0 1 399.510 3.008 20 0 GGADMN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000250424042 1433856045 /nfs/dbraw/zinc/85/60/45/1433856045.db2.gz FBRTWEVRMWAPMD-KSZLIROESA-N 0 1 389.540 3.429 20 0 GGADMN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)[C@H]1C ZINC000250422658 1433856128 /nfs/dbraw/zinc/85/61/28/1433856128.db2.gz DJTLZDDRQCSUAU-RYRKJORJSA-N 0 1 389.565 3.115 20 0 GGADMN CCCNC(=O)[C@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000250431890 1433856226 /nfs/dbraw/zinc/85/62/26/1433856226.db2.gz JHEIMNRERHMOQB-WBVHZDCISA-N 0 1 379.932 3.098 20 0 GGADMN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCCC[C@H]1C1OCCO1 ZINC000250532924 1433856583 /nfs/dbraw/zinc/85/65/83/1433856583.db2.gz HZTUQFHUYUIYHM-IRLDBZIGSA-N 0 1 383.488 3.321 20 0 GGADMN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCCC[C@H]1C1OCCO1 ZINC000250532929 1433856626 /nfs/dbraw/zinc/85/66/26/1433856626.db2.gz HZTUQFHUYUIYHM-UNMCSNQZSA-N 0 1 383.488 3.321 20 0 GGADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000250571391 1433856740 /nfs/dbraw/zinc/85/67/40/1433856740.db2.gz XAXZDPPRQDHYNE-MTQWCTHYSA-N 0 1 377.573 3.184 20 0 GGADMN CCCCCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000250834625 1433857270 /nfs/dbraw/zinc/85/72/70/1433857270.db2.gz UAUWDZSZGNNSHI-KAXARAQCSA-N 0 1 379.589 3.478 20 0 GGADMN CCCCCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000250842100 1433857450 /nfs/dbraw/zinc/85/74/50/1433857450.db2.gz 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NC1(c2noc(-c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)n2)CCCC1 ZINC000261852530 1433907435 /nfs/dbraw/zinc/90/74/35/1433907435.db2.gz SXSLLPYDRKIVFH-SFHVURJKSA-N 0 1 390.443 3.407 20 0 GGADMN NC1(c2noc(-c3cccc(CN4C(=O)c5ccccc5C4=O)c3)n2)CCCC1 ZINC000261867501 1433908173 /nfs/dbraw/zinc/90/81/73/1433908173.db2.gz UXZGAENWNAGYQH-UHFFFAOYSA-N 0 1 388.427 3.261 20 0 GGADMN Cc1cccc(-n2cc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)nn2)c1 ZINC000261872774 1433908665 /nfs/dbraw/zinc/90/86/65/1433908665.db2.gz TVORXXQMOATUCF-IBGZPJMESA-N 0 1 381.867 3.016 20 0 GGADMN CCN(C)C(=O)c1cccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000261874286 1433908757 /nfs/dbraw/zinc/90/87/57/1433908757.db2.gz UAECEJPLLZFWLV-IBGZPJMESA-N 0 1 385.895 3.219 20 0 GGADMN NC1(c2noc(-c3nnn(-c4ccccc4F)c3C(F)(F)F)n2)CCCC1 ZINC000261873126 1433909173 /nfs/dbraw/zinc/90/91/73/1433909173.db2.gz VMBFZVUCCYMAHM-UHFFFAOYSA-N 0 1 382.321 3.203 20 0 GGADMN C[C@](N)(C(=O)N[C@H]1CCCc2cc(N)ccc21)c1ccc(Br)cc1 ZINC000261890838 1433910275 /nfs/dbraw/zinc/91/02/75/1433910275.db2.gz VECQQUHMFKKVDZ-PKOBYXMFSA-N 0 1 388.309 3.399 20 0 GGADMN Cc1nn(C)c2nc(C)cc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)c12 ZINC000261901830 1433911004 /nfs/dbraw/zinc/91/10/04/1433911004.db2.gz WOJWKLPCXYJPDC-KRWDZBQOSA-N 0 1 383.883 3.025 20 0 GGADMN C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000261906619 1433912188 /nfs/dbraw/zinc/91/21/88/1433912188.db2.gz POKDAVNMKRRGBU-ZIAGYGMSSA-N 0 1 397.313 3.203 20 0 GGADMN CCCOc1ccc(C(=O)CCC(=O)N2CCNC[C@H]2C)cc1OCCC ZINC000261928904 1433913905 /nfs/dbraw/zinc/91/39/05/1433913905.db2.gz CANCLSHDYFDXIT-MRXNPFEDSA-N 0 1 376.497 3.047 20 0 GGADMN CC(=O)N[C@@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)c1cccs1 ZINC000261959119 1433916272 /nfs/dbraw/zinc/91/62/72/1433916272.db2.gz KSOOKFOTRULCRO-DLBZAZTESA-N 0 1 391.924 3.142 20 0 GGADMN COc1cccc(CO[C@H](C)C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000261987813 1433919703 /nfs/dbraw/zinc/91/97/03/1433919703.db2.gz MOQGDJGZDUKICU-FOIQADDNSA-N 0 1 388.895 3.427 20 0 GGADMN C[C@@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)NC(=O)c1ccccc1 ZINC000262011693 1433921616 /nfs/dbraw/zinc/92/16/16/1433921616.db2.gz OCOAANJSXJGTSO-HNAYVOBHSA-N 0 1 385.895 3.022 20 0 GGADMN COc1ccc([C@H](NC(=O)C[C@@H]2COCCN2)c2ccccc2Cl)c(C)c1 ZINC000262028945 1433923151 /nfs/dbraw/zinc/92/31/51/1433923151.db2.gz AGMJPGHZGIXLLB-VFNWGFHPSA-N 0 1 388.895 3.241 20 0 GGADMN Cc1ccc(-c2cc(C(=O)N3CCNC[C@H]3C)c3cnn(C(C)C)c3n2)cc1 ZINC000262044740 1433924046 /nfs/dbraw/zinc/92/40/46/1433924046.db2.gz TXXJWQFXCDHLHG-MRXNPFEDSA-N 0 1 377.492 3.422 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cc(=O)[nH]c3cc(F)ccc32)cc1 ZINC000262040772 1433924180 /nfs/dbraw/zinc/92/41/80/1433924180.db2.gz TZPMEEZHCRKVGY-HXUWFJFHSA-N 0 1 379.435 3.429 20 0 GGADMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000262045050 1433924333 /nfs/dbraw/zinc/92/43/33/1433924333.db2.gz ULGMYSWFNMHVEO-OAQYLSRUSA-N 0 1 377.488 3.384 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 ZINC000262055441 1433924951 /nfs/dbraw/zinc/92/49/51/1433924951.db2.gz VJHCEKNAFDZWBP-OALUTQOASA-N 0 1 385.533 3.051 20 0 GGADMN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H](N)Cc1ccccc1 ZINC000262057267 1433925068 /nfs/dbraw/zinc/92/50/68/1433925068.db2.gz ICVQEILVYRBZDI-HXUWFJFHSA-N 0 1 379.504 3.376 20 0 GGADMN O=C([O-])Cn1ccc2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)ccc21 ZINC000262086386 1433926288 /nfs/dbraw/zinc/92/62/88/1433926288.db2.gz KZIWJSGAWWWVTK-FQEVSTJZSA-N 0 1 377.444 3.329 20 0 GGADMN O=C([O-])Cn1ccc2cc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)ccc21 ZINC000262086388 1433926373 /nfs/dbraw/zinc/92/63/73/1433926373.db2.gz KZIWJSGAWWWVTK-HXUWFJFHSA-N 0 1 377.444 3.329 20 0 GGADMN C[C@@H](CC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1)NC(=O)C1CCCCC1 ZINC000262121090 1433927908 /nfs/dbraw/zinc/92/79/08/1433927908.db2.gz WHFRTOKNGPJFPR-HNAYVOBHSA-N 0 1 391.943 3.288 20 0 GGADMN O=C(CCN1C(=O)CCc2ccccc21)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000262134779 1433928156 /nfs/dbraw/zinc/92/81/56/1433928156.db2.gz WSTQTCLWCYFCDI-HXUWFJFHSA-N 0 1 397.906 3.182 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)c2cnc3c(cnn3CC(C)C)c2)cc1 ZINC000262135610 1433928171 /nfs/dbraw/zinc/92/81/71/1433928171.db2.gz DKBFWFFJKRJCBQ-NRFANRHFSA-N 0 1 391.519 3.436 20 0 GGADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1csc(CC(=O)Nc3ccccc3)n1)C2 ZINC000262133600 1433928211 /nfs/dbraw/zinc/92/82/11/1433928211.db2.gz LCPCELGIYWLKRE-VBKZILBWSA-N 0 1 385.489 3.011 20 0 GGADMN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000262150703 1433928884 /nfs/dbraw/zinc/92/88/84/1433928884.db2.gz XLAUAGJVAASXCD-XLIONFOSSA-N 0 1 397.906 3.404 20 0 GGADMN CCc1ccc([C@@H]2CNCCN2C(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC000262148183 1433928932 /nfs/dbraw/zinc/92/89/32/1433928932.db2.gz FSLNGRDVRCBEKM-FQEVSTJZSA-N 0 1 392.528 3.483 20 0 GGADMN O=C(C[C@H]1COCCN1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000262187524 1433930071 /nfs/dbraw/zinc/93/00/71/1433930071.db2.gz LPIZTCLOFUMMGZ-ZDUSSCGKSA-N 0 1 385.411 3.070 20 0 GGADMN O=C(Nc1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1)NC1CC1 ZINC000262187418 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BOGUEOIAKJXBMR-FOIQADDNSA-N 0 1 376.859 3.372 20 0 GGADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2sc3cc(F)ccc3c2C)CC1 ZINC000262304155 1433934324 /nfs/dbraw/zinc/93/43/24/1433934324.db2.gz RALJBUPVHXRKCY-UHFFFAOYSA-N 0 1 378.469 3.360 20 0 GGADMN COC[C@H](N)C(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000262370876 1433936932 /nfs/dbraw/zinc/93/69/32/1433936932.db2.gz WSVJYBHAWPUPQO-RNCFNFMXSA-N 0 1 398.326 3.032 20 0 GGADMN COC[C@H](N)C(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000262370883 1433937004 /nfs/dbraw/zinc/93/70/04/1433937004.db2.gz WSVJYBHAWPUPQO-ZANVPECISA-N 0 1 398.326 3.032 20 0 GGADMN CN[C@@H](C(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262441618 1433939340 /nfs/dbraw/zinc/93/93/40/1433939340.db2.gz VAFSJRTWBYXQKV-WMLDXEAASA-N 0 1 397.306 3.057 20 0 GGADMN O=C(CC1CCCCC1)Nc1cccc2c1CCCN2C(=O)C[C@@H]1COCCN1 ZINC000262511195 1433941876 /nfs/dbraw/zinc/94/18/76/1433941876.db2.gz JPQKEZKIQQGLBD-GOSISDBHSA-N 0 1 399.535 3.253 20 0 GGADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000262522474 1433942308 /nfs/dbraw/zinc/94/23/08/1433942308.db2.gz QWZCTYRXBYAXRP-FQEVSTJZSA-N 0 1 383.492 3.032 20 0 GGADMN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)C[C@H]1COCCN1 ZINC000262551816 1433943359 /nfs/dbraw/zinc/94/33/59/1433943359.db2.gz OUFVFTMKJHPGIR-RXVVDRJESA-N 0 1 382.504 3.034 20 0 GGADMN COC[C@@H](N)C(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000262550403 1433943387 /nfs/dbraw/zinc/94/33/87/1433943387.db2.gz OQBSRHVLQGRPJS-MRXNPFEDSA-N 0 1 382.382 3.430 20 0 GGADMN COc1ccccc1-c1ccc(CN(C(=O)C[C@@H]2COCCN2)C(C)C)cc1 ZINC000262569234 1433944124 /nfs/dbraw/zinc/94/41/24/1433944124.db2.gz SDPNJRZSLSIVSI-HXUWFJFHSA-N 0 1 382.504 3.478 20 0 GGADMN COc1ccccc1-c1ccc(CN(C(=O)C[C@H]2COCCN2)C(C)C)cc1 ZINC000262569231 1433944249 /nfs/dbraw/zinc/94/42/49/1433944249.db2.gz SDPNJRZSLSIVSI-FQEVSTJZSA-N 0 1 382.504 3.478 20 0 GGADMN C[C@H]1CN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CCN1 ZINC000262600743 1433945495 /nfs/dbraw/zinc/94/54/95/1433945495.db2.gz OLYNSGUVYUXCGX-ZDUSSCGKSA-N 0 1 382.851 3.491 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000262607704 1433946083 /nfs/dbraw/zinc/94/60/83/1433946083.db2.gz BAWRHMZIKOBTPN-OXQOHEQNSA-N 0 1 398.482 3.194 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000262607748 1433946157 /nfs/dbraw/zinc/94/61/57/1433946157.db2.gz BDMPQXSOQPXXFY-CQSZACIVSA-N 0 1 387.789 3.257 20 0 GGADMN Cc1ccc([C@@H](N)C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000262607701 1433946265 /nfs/dbraw/zinc/94/62/65/1433946265.db2.gz BAWRHMZIKOBTPN-OXJNMPFZSA-N 0 1 398.482 3.194 20 0 GGADMN CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000262617438 1433946401 /nfs/dbraw/zinc/94/64/01/1433946401.db2.gz GZHTVMQDPJOAHP-LJQANCHMSA-N 0 1 375.494 3.252 20 0 GGADMN COc1cc(NC2CCN(C(=O)[C@@H](N)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000262622010 1433946698 /nfs/dbraw/zinc/94/66/98/1433946698.db2.gz FEEFCEGELZTAFE-NRFANRHFSA-N 0 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C[C@H]1CCN(C(=O)c2cccc(C[S@@](C)=O)c2)CCN1Cc1ccccc1 ZINC000266364784 1434325391 /nfs/dbraw/zinc/32/53/91/1434325391.db2.gz SRIOKGSFAADGRW-XRHLQHRESA-N 0 1 384.545 3.302 20 0 GGADMN C[C@@H]1CCN(C(=O)c2cc(-n3cccn3)ccn2)CCN1Cc1ccccc1 ZINC000266382059 1434328044 /nfs/dbraw/zinc/32/80/44/1434328044.db2.gz XOTVVMSWXMMZBZ-GOSISDBHSA-N 0 1 375.476 3.004 20 0 GGADMN O=C(c1cccnc1NC1CCN(Cc2ccccn2)CC1)N1CCCCC1 ZINC000266392196 1434329485 /nfs/dbraw/zinc/32/94/85/1434329485.db2.gz OGISSZPCMGZTQZ-UHFFFAOYSA-N 0 1 379.508 3.179 20 0 GGADMN CN(C)[C@H](CNC(=O)Nc1ccn(CCc2ccncc2)n1)c1ccsc1 ZINC000266393142 1434329698 /nfs/dbraw/zinc/32/96/98/1434329698.db2.gz KMNTYOSNDNVEBY-QGZVFWFLSA-N 0 1 384.509 3.007 20 0 GGADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)c2cnn(C)c2)CC1 ZINC000266418948 1434333750 /nfs/dbraw/zinc/33/37/50/1434333750.db2.gz VFFMRDVZBYJYPI-CQSZACIVSA-N 0 1 390.919 3.098 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OC)c(F)c1 ZINC000266446578 1434337849 /nfs/dbraw/zinc/33/78/49/1434337849.db2.gz APLSOYJZRJRKRA-UHFFFAOYSA-N 0 1 387.455 3.237 20 0 GGADMN COCCOC[C@H]1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000266450689 1434338567 /nfs/dbraw/zinc/33/85/67/1434338567.db2.gz WISUWDDQUWQLDE-QFIPXVFZSA-N 0 1 396.531 3.444 20 0 GGADMN C[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cnn(C)c1 ZINC000266482430 1434342016 /nfs/dbraw/zinc/34/20/16/1434342016.db2.gz HZKGAGVYRYGPKL-CQSZACIVSA-N 0 1 375.904 3.098 20 0 GGADMN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000266490079 1434343002 /nfs/dbraw/zinc/34/30/02/1434343002.db2.gz JBLXXPGYXVOTSJ-SUMWQHHRSA-N 0 1 395.429 3.074 20 0 GGADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000266494128 1434343455 /nfs/dbraw/zinc/34/34/55/1434343455.db2.gz QSPVCXLKZHBCKP-XJKSGUPXSA-N 0 1 398.525 3.116 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1CCSCC1 ZINC000266516945 1434345695 /nfs/dbraw/zinc/34/56/95/1434345695.db2.gz YZYONECTHHLHDB-UHFFFAOYSA-N 0 1 392.569 3.102 20 0 GGADMN CC(C)CO[C@@H](C)c1noc(CSc2nc(O)cc(=O)n2C2CCCC2)n1 ZINC000266622427 1434355364 /nfs/dbraw/zinc/35/53/64/1434355364.db2.gz LQQLHXOOXYUPFV-LBPRGKRZSA-N 0 1 394.497 3.473 20 0 GGADMN CSC(C)(C)CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000266635638 1434356860 /nfs/dbraw/zinc/35/68/60/1434356860.db2.gz LPQOBKIDSAUJCW-AWEZNQCLSA-N 0 1 377.554 3.243 20 0 GGADMN CC[C@@](C)(NC[C@@H](O)COc1c(OC)cccc1OC)c1nc(C)cs1 ZINC000266635690 1434357089 /nfs/dbraw/zinc/35/70/89/1434357089.db2.gz RLEYPVOKSDZFPZ-AUUYWEPGSA-N 0 1 380.510 3.123 20 0 GGADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC2(C1)CCOCC2 ZINC000266635730 1434357169 /nfs/dbraw/zinc/35/71/69/1434357169.db2.gz RNINRWDUXDEAOI-GOSISDBHSA-N 0 1 382.508 3.319 20 0 GGADMN COc1cc(-c2nnc(CN(C)[C@@H](C)CCSC)o2)cc(OC)c1OC ZINC000266641294 1434357835 /nfs/dbraw/zinc/35/78/35/1434357835.db2.gz AYEJDFDSFWEXAO-LBPRGKRZSA-N 0 1 381.498 3.336 20 0 GGADMN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000266663196 1434360859 /nfs/dbraw/zinc/36/08/59/1434360859.db2.gz MIZKDQCPBNJHFO-GOSISDBHSA-N 0 1 391.475 3.124 20 0 GGADMN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 ZINC000266669337 1434361781 /nfs/dbraw/zinc/36/17/81/1434361781.db2.gz GTNWPNDFFIATOS-KRWDZBQOSA-N 0 1 388.489 3.305 20 0 GGADMN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000266706287 1434365890 /nfs/dbraw/zinc/36/58/90/1434365890.db2.gz IBFCJHAFZNRKFP-UHFFFAOYSA-N 0 1 387.461 3.248 20 0 GGADMN COC(C)(C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000266709844 1434366223 /nfs/dbraw/zinc/36/62/23/1434366223.db2.gz SQAGXIDEHQPGHN-HZPDHXFCSA-N 0 1 389.540 3.305 20 0 GGADMN CCOc1ccc([C@H](C)NC(=O)CCSc2nnc(C)[nH]2)cc1OCC ZINC000266726387 1434368118 /nfs/dbraw/zinc/36/81/18/1434368118.db2.gz NIIKJTMRJFMBRJ-LBPRGKRZSA-N 0 1 378.498 3.270 20 0 GGADMN C[C@@H](NC(=O)NCCCC(F)(F)F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000266735083 1434369374 /nfs/dbraw/zinc/36/93/74/1434369374.db2.gz ASHBSWTZLYZWSI-CYBMUJFWSA-N 0 1 390.425 3.280 20 0 GGADMN C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000266747454 1434370789 /nfs/dbraw/zinc/37/07/89/1434370789.db2.gz MOAJUNRQNPBUCF-QAPCUYQASA-N 0 1 379.932 3.276 20 0 GGADMN C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000266773914 1434373817 /nfs/dbraw/zinc/37/38/17/1434373817.db2.gz QJBSGJOBITYMGO-OAHLLOKOSA-N 0 1 389.931 3.346 20 0 GGADMN CCN(C(=O)CN(C)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000266777106 1434374269 /nfs/dbraw/zinc/37/42/69/1434374269.db2.gz YRLVLDIPJSTEAW-UHFFFAOYSA-N 0 1 379.504 3.276 20 0 GGADMN CN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000266796853 1434376287 /nfs/dbraw/zinc/37/62/87/1434376287.db2.gz HLBNTTBPASIQSC-QGZVFWFLSA-N 0 1 393.487 3.043 20 0 GGADMN Cc1cc(C)c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1 ZINC000266802706 1434376974 /nfs/dbraw/zinc/37/69/74/1434376974.db2.gz DHHCMQVTQLJEOF-MRXNPFEDSA-N 0 1 393.409 3.427 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)[nH]1 ZINC000266840066 1434380851 /nfs/dbraw/zinc/38/08/51/1434380851.db2.gz OEIPPPWYSFLEDM-ZDUSSCGKSA-N 0 1 387.509 3.249 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 ZINC000266840541 1434381043 /nfs/dbraw/zinc/38/10/43/1434381043.db2.gz MEGXFNADONGXLY-LBPRGKRZSA-N 0 1 393.436 3.173 20 0 GGADMN Cc1nnc(SCCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)[nH]1 ZINC000266842320 1434381147 /nfs/dbraw/zinc/38/11/47/1434381147.db2.gz NCAZOYUXMROFQL-ZDUSSCGKSA-N 0 1 396.900 3.445 20 0 GGADMN CN1CCN(Cc2cccc(C(=O)N3CCC(OC4CCCCC4)CC3)c2)CC1 ZINC000266855994 1434382314 /nfs/dbraw/zinc/38/23/14/1434382314.db2.gz QQJTVNRWRKKMGV-UHFFFAOYSA-N 0 1 399.579 3.388 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3nccs3)cc2)C[C@@H](C)O1 ZINC000266875081 1434384233 /nfs/dbraw/zinc/38/42/33/1434384233.db2.gz VFGOPPQASYUBHX-HZPDHXFCSA-N 0 1 388.537 3.094 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)c1c(C)cc(C)[nH]c1=O)N1CCCCC1 ZINC000266876850 1434384503 /nfs/dbraw/zinc/38/45/03/1434384503.db2.gz ZDWBRMMHAGXWRX-SFHVURJKSA-N 0 1 383.492 3.370 20 0 GGADMN Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1N1CCOC1=O ZINC000266911831 1434387635 /nfs/dbraw/zinc/38/76/35/1434387635.db2.gz KGGMDBHPOLAXHD-KRWDZBQOSA-N 0 1 388.493 3.438 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(F)cccc1OC ZINC000266910350 1434387729 /nfs/dbraw/zinc/38/77/29/1434387729.db2.gz NJXXCTXRGCPHTF-UHFFFAOYSA-N 0 1 387.455 3.237 20 0 GGADMN Cc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1N1CCOC1=O ZINC000266911834 1434387748 /nfs/dbraw/zinc/38/77/48/1434387748.db2.gz KGGMDBHPOLAXHD-QGZVFWFLSA-N 0 1 388.493 3.438 20 0 GGADMN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cn[nH]c1-c1ccncc1 ZINC000266979837 1434395418 /nfs/dbraw/zinc/39/54/18/1434395418.db2.gz YWCSNXRHFFSLCY-RTBURBONSA-N 0 1 378.432 3.406 20 0 GGADMN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cn[nH]c1-c1ccncc1 ZINC000266979835 1434395452 /nfs/dbraw/zinc/39/54/52/1434395452.db2.gz YWCSNXRHFFSLCY-OALUTQOASA-N 0 1 378.432 3.406 20 0 GGADMN CO[C@H](CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(C)C ZINC000266980824 1434395481 /nfs/dbraw/zinc/39/54/81/1434395481.db2.gz ZDALJTRGJRDIAJ-QGZVFWFLSA-N 0 1 391.537 3.033 20 0 GGADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000266989271 1434396400 /nfs/dbraw/zinc/39/64/00/1434396400.db2.gz SWBZMGPGQJYGCM-YSRDOTAKSA-N 0 1 393.578 3.491 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000267023955 1434399826 /nfs/dbraw/zinc/39/98/26/1434399826.db2.gz CLEZKZRKHGCRIM-MRXNPFEDSA-N 0 1 384.455 3.008 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000267067596 1434404630 /nfs/dbraw/zinc/40/46/30/1434404630.db2.gz HOYKVPSWKAMANI-FUHWJXTLSA-N 0 1 394.519 3.332 20 0 GGADMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000267067598 1434404661 /nfs/dbraw/zinc/40/46/61/1434404661.db2.gz HOYKVPSWKAMANI-SJLPKXTDSA-N 0 1 394.519 3.332 20 0 GGADMN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000267094543 1434407110 /nfs/dbraw/zinc/40/71/10/1434407110.db2.gz MPUGIKCZMOHOHC-UHFFFAOYSA-N 0 1 396.472 3.335 20 0 GGADMN C[C@@H](N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)NC1CC1 ZINC000267100772 1434407680 /nfs/dbraw/zinc/40/76/80/1434407680.db2.gz ZGWWRFUEQGKLLX-HUUCEWRRSA-N 0 1 383.467 3.325 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000267131003 1434409549 /nfs/dbraw/zinc/40/95/49/1434409549.db2.gz JVOPIQUBRWLUAM-OAHLLOKOSA-N 0 1 384.455 3.008 20 0 GGADMN COc1ccc2c(c1)c(C(=O)NCCc1nc(C)n[nH]1)c(C)n2C1CCCC1 ZINC000267143332 1434410124 /nfs/dbraw/zinc/41/01/24/1434410124.db2.gz HKZFJFUZWATABV-UHFFFAOYSA-N 0 1 381.480 3.472 20 0 GGADMN Cc1n[nH]c(CCNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)n1 ZINC000267139696 1434410299 /nfs/dbraw/zinc/41/02/99/1434410299.db2.gz GUZLHPGYYWLRPE-UHFFFAOYSA-N 0 1 377.876 3.114 20 0 GGADMN Cc1ccc([C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C2CC2)cc1 ZINC000267153252 1434410951 /nfs/dbraw/zinc/41/09/51/1434410951.db2.gz MOHXQHMIUABDPL-FQEVSTJZSA-N 0 1 380.492 3.428 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccccc1C(F)(F)F ZINC000267156741 1434411149 /nfs/dbraw/zinc/41/11/49/1434411149.db2.gz NBJZNFWOYLYDGV-UHFFFAOYSA-N 0 1 394.397 3.188 20 0 GGADMN C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCCc1nc[nH]n1 ZINC000267174513 1434412251 /nfs/dbraw/zinc/41/22/51/1434412251.db2.gz MSPFNNBQTOMUCL-NSHDSACASA-N 0 1 391.884 3.094 20 0 GGADMN COCCN(C(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@@H](C)c1ccccc1 ZINC000267193302 1434413390 /nfs/dbraw/zinc/41/33/90/1434413390.db2.gz RIUIOLHNBKLAQN-INIZCTEOSA-N 0 1 398.507 3.089 20 0 GGADMN CCOc1ccc(OCCCC(=O)NC2CCN(Cc3cccnc3)CC2)cc1 ZINC000267225131 1434415255 /nfs/dbraw/zinc/41/52/55/1434415255.db2.gz VAWJAOOYDMJLKC-UHFFFAOYSA-N 0 1 397.519 3.420 20 0 GGADMN Cc1ccccc1[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)C1CC1 ZINC000267232716 1434415561 /nfs/dbraw/zinc/41/55/61/1434415561.db2.gz WLLUDFCDYOTFIS-HXUWFJFHSA-N 0 1 380.492 3.428 20 0 GGADMN COc1cccc([C@@H](C)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)c1 ZINC000267267616 1434418065 /nfs/dbraw/zinc/41/80/65/1434418065.db2.gz RRIKECKHSPMBDL-DYESRHJHSA-N 0 1 398.503 3.220 20 0 GGADMN CCOC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)C1 ZINC000267270778 1434418287 /nfs/dbraw/zinc/41/82/87/1434418287.db2.gz ZPHORJKQDOPLDR-RXVVDRJESA-N 0 1 389.540 3.290 20 0 GGADMN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000267277907 1434418929 /nfs/dbraw/zinc/41/89/29/1434418929.db2.gz WUVYDRAZLRBKQU-VIFPVBQESA-N 0 1 395.847 3.305 20 0 GGADMN CC[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1nnc2n1CCCCC2 ZINC000267336383 1434423766 /nfs/dbraw/zinc/42/37/66/1434423766.db2.gz MULMDPDXQWKNQD-LSDHHAIUSA-N 0 1 390.557 3.119 20 0 GGADMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1C ZINC000267334415 1434423793 /nfs/dbraw/zinc/42/37/93/1434423793.db2.gz PBTPGNUDIDMASY-ZWKOTPCHSA-N 0 1 393.509 3.003 20 0 GGADMN Cn1c(CCN[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000267374144 1434427100 /nfs/dbraw/zinc/42/71/00/1434427100.db2.gz KXNJFNOYZFYDKB-LJQANCHMSA-N 0 1 390.409 3.125 20 0 GGADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267406845 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391.489 3.282 20 0 GGADMN OCCN(Cc1cccnc1)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000268698187 1434548323 /nfs/dbraw/zinc/54/83/23/1434548323.db2.gz QOHMHXZCBNMHKH-QHCPKHFHSA-N 0 1 392.499 3.043 20 0 GGADMN OCCN(Cc1cccnc1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000268698186 1434548401 /nfs/dbraw/zinc/54/84/01/1434548401.db2.gz QOHMHXZCBNMHKH-HSZRJFAPSA-N 0 1 392.499 3.043 20 0 GGADMN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268705419 1434548997 /nfs/dbraw/zinc/54/89/97/1434548997.db2.gz DHCOJGAURKBMSR-INIZCTEOSA-N 0 1 386.492 3.400 20 0 GGADMN CC(C)Cn1nc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c2ccccc2c1=O ZINC000268726209 1434550356 /nfs/dbraw/zinc/55/03/56/1434550356.db2.gz JYVKCNNSIOBWDJ-UHFFFAOYSA-N 0 1 379.342 3.047 20 0 GGADMN CC(C)Cn1cc(NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cn1 ZINC000268732459 1434550978 /nfs/dbraw/zinc/55/09/78/1434550978.db2.gz PIFCYNUJZPFBFO-INIZCTEOSA-N 0 1 397.523 3.476 20 0 GGADMN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ncc(C(F)(F)F)[nH]3)C2)cc1 ZINC000268736721 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20 0 GGADMN Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)nc2)cnn1-c1ccc(F)cc1 ZINC000268785033 1434557101 /nfs/dbraw/zinc/55/71/01/1434557101.db2.gz ZNJUCDAHFFLLJE-MRXNPFEDSA-N 0 1 395.482 3.402 20 0 GGADMN COc1cccc(-c2cc(C(=O)N(C)Cc3nccn3CC(F)(F)F)n[nH]2)c1 ZINC000268787509 1434557350 /nfs/dbraw/zinc/55/73/50/1434557350.db2.gz ATMVREJUTLBLQO-UHFFFAOYSA-N 0 1 393.369 3.116 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268790388 1434557637 /nfs/dbraw/zinc/55/76/37/1434557637.db2.gz BQEPLPWLOISNTG-KGLIPLIRSA-N 0 1 396.459 3.038 20 0 GGADMN COc1cc([C@H](C)NCc2ccc(N(C)C)nc2)ccc1S(=O)(=O)C(F)F ZINC000268791567 1434557676 /nfs/dbraw/zinc/55/76/76/1434557676.db2.gz YAWOTCDOJNFYBN-LBPRGKRZSA-N 0 1 399.463 3.003 20 0 GGADMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)NCc1ccccc1 ZINC000268790390 1434557805 /nfs/dbraw/zinc/55/78/05/1434557805.db2.gz BQEPLPWLOISNTG-UONOGXRCSA-N 0 1 396.459 3.038 20 0 GGADMN COc1ccccc1[C@@H](C)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000268793587 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GGADMN C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1N(C)C ZINC000268798971 1434558677 /nfs/dbraw/zinc/55/86/77/1434558677.db2.gz JRGWKUXIPPMHIV-INIZCTEOSA-N 0 1 385.483 3.215 20 0 GGADMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000268798722 1434558748 /nfs/dbraw/zinc/55/87/48/1434558748.db2.gz FOPDFGXVLJIPJT-AWEZNQCLSA-N 0 1 388.464 3.400 20 0 GGADMN CC(C)NC(=O)Nc1ccc([C@H](C)NCCS(=O)(=O)c2ccccc2)cc1 ZINC000268804036 1434558872 /nfs/dbraw/zinc/55/88/72/1434558872.db2.gz LMIHHCRPULJYMM-INIZCTEOSA-N 0 1 389.521 3.341 20 0 GGADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 ZINC000268802439 1434558877 /nfs/dbraw/zinc/55/88/77/1434558877.db2.gz GNPNSSLGKHFNOH-INIZCTEOSA-N 0 1 386.492 3.330 20 0 GGADMN C[C@@H]1CN(c2ccc(NC(=O)N[C@H]3CCCc4cn[nH]c43)cc2F)C[C@H](C)O1 ZINC000268803343 1434559045 /nfs/dbraw/zinc/55/90/45/1434559045.db2.gz BVCBGESTWVOFRU-AHIWAGSCSA-N 0 1 387.459 3.362 20 0 GGADMN CC(C)NC(=O)Nc1ccc([C@@H](C)NCCS(=O)(=O)c2ccccc2)cc1 ZINC000268804039 1434559073 /nfs/dbraw/zinc/55/90/73/1434559073.db2.gz LMIHHCRPULJYMM-MRXNPFEDSA-N 0 1 389.521 3.341 20 0 GGADMN C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000268805766 1434559410 /nfs/dbraw/zinc/55/94/10/1434559410.db2.gz IZKPUXASIXZAOW-CQSZACIVSA-N 0 1 391.437 3.342 20 0 GGADMN COc1cc(C)c([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1OC ZINC000268806167 1434559466 /nfs/dbraw/zinc/55/94/66/1434559466.db2.gz MJKZLGQPXPZDQP-QGZVFWFLSA-N 0 1 398.503 3.335 20 0 GGADMN COc1ccc2c(c1)[C@@H](NCCS(=O)(=O)Cc1ccccc1)CCCO2 ZINC000268816360 1434560515 /nfs/dbraw/zinc/56/05/15/1434560515.db2.gz QEEFNSBDTSCNFS-IBGZPJMESA-N 0 1 375.490 3.114 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000268820218 1434561082 /nfs/dbraw/zinc/56/10/82/1434561082.db2.gz RNOZQISOFIKBOZ-HNNXBMFYSA-N 0 1 383.448 3.250 20 0 GGADMN O=C(COc1ccccc1CN[C@H]1CCc2ccc(F)cc21)NC[C@H]1CCCO1 ZINC000268822555 1434561139 /nfs/dbraw/zinc/56/11/39/1434561139.db2.gz SGUVSNGJEMAFQL-CTNGQTDRSA-N 0 1 398.478 3.277 20 0 GGADMN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000268827116 1434561817 /nfs/dbraw/zinc/56/18/17/1434561817.db2.gz NKXQZAQQSXPYBD-ZDUSSCGKSA-N 0 1 396.459 3.283 20 0 GGADMN Cc1ncc([C@@H](C)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)n1 ZINC000268830013 1434562216 /nfs/dbraw/zinc/56/22/16/1434562216.db2.gz ODPNOJVULAQAOO-OWCLPIDISA-N 0 1 382.508 3.194 20 0 GGADMN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(OCCOC)c(OC)c2)c1 ZINC000268835094 1434562596 /nfs/dbraw/zinc/56/25/96/1434562596.db2.gz PFMJVXDPRWWIIK-INIZCTEOSA-N 0 1 386.492 3.321 20 0 GGADMN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000268836829 1434562849 /nfs/dbraw/zinc/56/28/49/1434562849.db2.gz LRMMGNDSLAFOPF-SFHVURJKSA-N 0 1 381.480 3.415 20 0 GGADMN CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000268845143 1434563960 /nfs/dbraw/zinc/56/39/60/1434563960.db2.gz BDPFYCAPHVSCAG-OAHLLOKOSA-N 0 1 375.860 3.402 20 0 GGADMN CCCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268846842 1434564015 /nfs/dbraw/zinc/56/40/15/1434564015.db2.gz AZFNGCQULCVLJC-MRXNPFEDSA-N 0 1 391.497 3.151 20 0 GGADMN O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268846317 1434564061 /nfs/dbraw/zinc/56/40/61/1434564061.db2.gz OAALHZULURKFIS-OAHLLOKOSA-N 0 1 382.386 3.365 20 0 GGADMN CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000268859531 1434565386 /nfs/dbraw/zinc/56/53/86/1434565386.db2.gz FMONLHDPZGQPPE-GOSISDBHSA-N 0 1 381.480 3.481 20 0 GGADMN COc1cc(CN[C@H](C)c2cc(F)c(F)c(F)c2)ccc1OCC(=O)N(C)C ZINC000268867222 1434566215 /nfs/dbraw/zinc/56/62/15/1434566215.db2.gz WWDMMDFAGFYJDO-GFCCVEGCSA-N 0 1 396.409 3.430 20 0 GGADMN COCCOc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)cc1OC ZINC000268872747 1434566685 /nfs/dbraw/zinc/56/66/85/1434566685.db2.gz PLJZQZXRDICBCA-KRWDZBQOSA-N 0 1 386.492 3.030 20 0 GGADMN COCCOc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)cc1OC ZINC000268872748 1434566745 /nfs/dbraw/zinc/56/67/45/1434566745.db2.gz PLJZQZXRDICBCA-QGZVFWFLSA-N 0 1 386.492 3.030 20 0 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GGADMN COc1cc(CN(C[C@@H](O)COc2cccc(C(C)=O)c2)C2CC2)ccc1O ZINC000270546334 1434743490 /nfs/dbraw/zinc/74/34/90/1434743490.db2.gz IFNNEBWWHUTUPN-LJQANCHMSA-N 0 1 385.460 3.008 20 0 GGADMN Cc1nc2ccnn2c(C)c1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000270556108 1434744052 /nfs/dbraw/zinc/74/40/52/1434744052.db2.gz OEOGMVCONNURJZ-UHFFFAOYSA-N 0 1 395.532 3.456 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)c3cccc([C@H]4CCOC4)c3)n2)c(OC)c1 ZINC000270566726 1434745476 /nfs/dbraw/zinc/74/54/76/1434745476.db2.gz MEVBDGSYELPRKT-HNNXBMFYSA-N 0 1 394.431 3.245 20 0 GGADMN Cc1nc2ccnn2c(C)c1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000270570545 1434745861 /nfs/dbraw/zinc/74/58/61/1434745861.db2.gz TWQNOMUALLFKKR-UHFFFAOYSA-N 0 1 381.505 3.147 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 ZINC000270583468 1434747166 /nfs/dbraw/zinc/74/71/66/1434747166.db2.gz ARDPZFFHVSBEAJ-CHWSQXEVSA-N 0 1 384.484 3.398 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n[nH]1 ZINC000270584621 1434747338 /nfs/dbraw/zinc/74/73/38/1434747338.db2.gz ARDPZFFHVSBEAJ-STQMWFEESA-N 0 1 384.484 3.398 20 0 GGADMN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270583590 1434747412 /nfs/dbraw/zinc/74/74/12/1434747412.db2.gz ALVGVQZENHUHTN-CYBMUJFWSA-N 0 1 399.524 3.051 20 0 GGADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)C2)c1 ZINC000270588991 1434747670 /nfs/dbraw/zinc/74/76/70/1434747670.db2.gz BHLDBELGMBINFM-IAGOWNOFSA-N 0 1 397.523 3.275 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2cccc(COCC(F)(F)F)c2)n[nH]1 ZINC000270592944 1434747977 /nfs/dbraw/zinc/74/79/77/1434747977.db2.gz CRJGCOWVBDENJB-NSHDSACASA-N 0 1 385.390 3.006 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n[nH]1 ZINC000270599531 1434748718 /nfs/dbraw/zinc/74/87/18/1434748718.db2.gz DPFLPMYXMKWTBK-LLVKDONJSA-N 0 1 398.467 3.183 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(CSCCC(=O)OC)c2)n[nH]1 ZINC000270597441 1434748881 /nfs/dbraw/zinc/74/88/81/1434748881.db2.gz CGIXFLPEMNBERV-GFCCVEGCSA-N 0 1 391.497 3.046 20 0 GGADMN COc1ccc([C@@H](CCO)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000270598813 1434748938 /nfs/dbraw/zinc/74/89/38/1434748938.db2.gz FGZFVMFFPLWQJJ-RDTXWAMCSA-N 0 1 375.465 3.495 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)n[nH]1 ZINC000270609839 1434750166 /nfs/dbraw/zinc/75/01/66/1434750166.db2.gz DSAGKDOFYZPYBQ-AWEZNQCLSA-N 0 1 389.475 3.176 20 0 GGADMN C[C@H](Cn1ccnc1)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270613645 1434750664 /nfs/dbraw/zinc/75/06/64/1434750664.db2.gz YVKXUKYKXWWQLL-DDUZABMNSA-N 0 1 393.894 3.056 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)n[nH]1 ZINC000270615144 1434750840 /nfs/dbraw/zinc/75/08/40/1434750840.db2.gz GYLUQKHMZVHVBW-VXGBXAGGSA-N 0 1 375.448 3.416 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)n[nH]1 ZINC000270615150 1434750906 /nfs/dbraw/zinc/75/09/06/1434750906.db2.gz GYSUJISCEIHDCD-CYBMUJFWSA-N 0 1 385.468 3.065 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)n[nH]1 ZINC000270614260 1434751136 /nfs/dbraw/zinc/75/11/36/1434751136.db2.gz FSIWUDLCCAADIB-SNVBAGLBSA-N 0 1 378.358 3.063 20 0 GGADMN C[C@H](Cn1ccnc1)NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270613649 1434751244 /nfs/dbraw/zinc/75/12/44/1434751244.db2.gz YVKXUKYKXWWQLL-SIIHOXLZSA-N 0 1 393.894 3.056 20 0 GGADMN CCc1nc([C@H](C)NC(=O)c2sc(COc3ccc(F)cc3)nc2C)n[nH]1 ZINC000270618616 1434751624 /nfs/dbraw/zinc/75/16/24/1434751624.db2.gz GKJFZUFJSSAOCF-NSHDSACASA-N 0 1 389.456 3.341 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)cc21 ZINC000270619834 1434751910 /nfs/dbraw/zinc/75/19/10/1434751910.db2.gz HOKIBDJPCGUIMP-ZDUSSCGKSA-N 0 1 382.468 3.109 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1 ZINC000270629622 1434753062 /nfs/dbraw/zinc/75/30/62/1434753062.db2.gz GWOHUMFFFPEZMQ-CHWSQXEVSA-N 0 1 386.456 3.006 20 0 GGADMN COc1cc(F)c([C@H](C)NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000270630752 1434753468 /nfs/dbraw/zinc/75/34/68/1434753468.db2.gz JDDUQYNGHIAKBU-WDEREUQCSA-N 0 1 379.436 3.206 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)n[nH]1 ZINC000270632334 1434753502 /nfs/dbraw/zinc/75/35/02/1434753502.db2.gz HDDCWEFWYONJIR-QWHCGFSZSA-N 0 1 399.499 3.333 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)n[nH]1 ZINC000270632374 1434753574 /nfs/dbraw/zinc/75/35/74/1434753574.db2.gz HFJMJWFJZPTEEV-LBPRGKRZSA-N 0 1 384.415 3.363 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(COCC(F)(F)F)cc2)n[nH]1 ZINC000270632377 1434753679 /nfs/dbraw/zinc/75/36/79/1434753679.db2.gz HFNQFCAGARNXFI-LLVKDONJSA-N 0 1 385.390 3.006 20 0 GGADMN COC[C@@H]1CCN(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000270633645 1434753971 /nfs/dbraw/zinc/75/39/71/1434753971.db2.gz JNURDEHPEHLIIF-SIIHOXLZSA-N 0 1 383.895 3.150 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)c2)cs1 ZINC000270640258 1434754680 /nfs/dbraw/zinc/75/46/80/1434754680.db2.gz KMNUAXLFHFUCJP-NSHDSACASA-N 0 1 398.492 3.176 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)n[nH]1 ZINC000270642906 1434754974 /nfs/dbraw/zinc/75/49/74/1434754974.db2.gz KVEMWXGHODLXFK-RYUDHWBXSA-N 0 1 375.477 3.480 20 0 GGADMN Cc1cc(C)n(-c2ccccc2CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270644188 1434755636 /nfs/dbraw/zinc/75/56/36/1434755636.db2.gz KYDGPQQABJLFJY-OAHLLOKOSA-N 0 1 381.484 3.291 20 0 GGADMN COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000270649282 1434755950 /nfs/dbraw/zinc/75/59/50/1434755950.db2.gz QCMBPSSOFJLUJH-UGSOOPFHSA-N 0 1 399.459 3.466 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000270646352 1434755972 /nfs/dbraw/zinc/75/59/72/1434755972.db2.gz IPUDODOMZIOTFB-KFWWJZLASA-N 0 1 398.511 3.368 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1 ZINC000270656253 1434757152 /nfs/dbraw/zinc/75/71/52/1434757152.db2.gz JPJMFZPJHHMZLZ-ZIAGYGMSSA-N 0 1 384.484 3.176 20 0 GGADMN CN1CC[C@@H](CNC(=O)COc2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270654698 1434757235 /nfs/dbraw/zinc/75/72/35/1434757235.db2.gz PKIAQJJTXDOBEE-IFXJQAMLSA-N 0 1 377.847 3.062 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)n[nH]1 ZINC000270658730 1434757472 /nfs/dbraw/zinc/75/74/72/1434757472.db2.gz JXHITKFUTLRYSY-NSHDSACASA-N 0 1 392.891 3.385 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n[nH]1 ZINC000270657676 1434757756 /nfs/dbraw/zinc/75/77/56/1434757756.db2.gz JUJDOHNSHZQQJP-KFWWJZLASA-N 0 1 386.500 3.424 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)n[nH]1 ZINC000270666489 1434758791 /nfs/dbraw/zinc/75/87/91/1434758791.db2.gz OELBMADKCQRYEV-QMMMGPOBSA-N 0 1 385.802 3.335 20 0 GGADMN CN1CC[C@H](CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270665337 1434758813 /nfs/dbraw/zinc/75/88/13/1434758813.db2.gz ODEQZIFSOZCASO-SASKPELWSA-N 0 1 381.879 3.091 20 0 GGADMN Cc1nn(-c2ccccc2)cc1CCCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270669406 1434759139 /nfs/dbraw/zinc/75/91/39/1434759139.db2.gz LIITXQCYRIUDGX-MRXNPFEDSA-N 0 1 395.511 3.415 20 0 GGADMN Cc1cc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1C(F)(F)F ZINC000270667833 1434759145 /nfs/dbraw/zinc/75/91/45/1434759145.db2.gz OKCRGONLZGMNJN-SNVBAGLBSA-N 0 1 383.374 3.071 20 0 GGADMN COc1ccccc1[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccn1 ZINC000270668260 1434759161 /nfs/dbraw/zinc/75/91/61/1434759161.db2.gz WWQUUDLCQYNEKE-FXAWDEMLSA-N 0 1 377.448 3.280 20 0 GGADMN CCCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)c1 ZINC000270672316 1434759534 /nfs/dbraw/zinc/75/95/34/1434759534.db2.gz PAIUEVDPZMDZFN-CQSZACIVSA-N 0 1 387.484 3.231 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(SC(F)F)c2)n[nH]1 ZINC000270674943 1434759936 /nfs/dbraw/zinc/75/99/36/1434759936.db2.gz PJJCDZZOVILBHS-VIFPVBQESA-N 0 1 383.424 3.059 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)n[nH]1 ZINC000270675031 1434760042 /nfs/dbraw/zinc/76/00/42/1434760042.db2.gz LYFWMAAMBFGNOT-AWEZNQCLSA-N 0 1 393.495 3.163 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)n[nH]1 ZINC000270677851 1434760691 /nfs/dbraw/zinc/76/06/91/1434760691.db2.gz MGCVVFHBQIFARS-ZDUSSCGKSA-N 0 1 384.484 3.231 20 0 GGADMN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270678222 1434760889 /nfs/dbraw/zinc/76/08/89/1434760889.db2.gz PQEFEGIPPALKLD-CQSZACIVSA-N 0 1 392.463 3.114 20 0 GGADMN Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)co2)cc1 ZINC000270681152 1434761111 /nfs/dbraw/zinc/76/11/11/1434761111.db2.gz MQBXOVNCGUSDQN-CQSZACIVSA-N 0 1 382.468 3.494 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NCc2ccc(C)cc2OCC(F)(F)F)n[nH]1 ZINC000270689993 1434762517 /nfs/dbraw/zinc/76/25/17/1434762517.db2.gz RCDWRJSXFKWVSW-LLVKDONJSA-N 0 1 385.390 3.177 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)c2cc(N3CCCC3=O)ccc2Cl)n[nH]1 ZINC000270714456 1434765663 /nfs/dbraw/zinc/76/56/63/1434765663.db2.gz GZNFNCCZFSPFRV-NSHDSACASA-N 0 1 375.860 3.199 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(N3CCCC3=O)ccc2Cl)n[nH]1 ZINC000270714454 1434765681 /nfs/dbraw/zinc/76/56/81/1434765681.db2.gz GZNFNCCZFSPFRV-LLVKDONJSA-N 0 1 375.860 3.199 20 0 GGADMN COC1CCN(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000270716522 1434766069 /nfs/dbraw/zinc/76/60/69/1434766069.db2.gz MVMAHLOVCXAGKP-RDTXWAMCSA-N 0 1 383.895 3.292 20 0 GGADMN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1C(F)(F)F ZINC000270716729 1434766109 /nfs/dbraw/zinc/76/61/09/1434766109.db2.gz VYLVZAJECBUURW-JTQLQIEISA-N 0 1 383.374 3.071 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270726524 1434766721 /nfs/dbraw/zinc/76/67/21/1434766721.db2.gz XRQMYKJMISJJCD-NEPJUHHUSA-N 0 1 399.455 3.108 20 0 GGADMN C[C@H](CO)CCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270725476 1434766732 /nfs/dbraw/zinc/76/67/32/1434766732.db2.gz XIWLBNYMOJKZHI-YEWWUXTCSA-N 0 1 385.911 3.180 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)n[nH]1 ZINC000270726504 1434766801 /nfs/dbraw/zinc/76/68/01/1434766801.db2.gz XQZQFPGAFHQYAQ-NSHDSACASA-N 0 1 397.401 3.239 20 0 GGADMN COc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1 ZINC000270726452 1434766843 /nfs/dbraw/zinc/76/68/43/1434766843.db2.gz XMRAFYKUSXHBNH-SNVBAGLBSA-N 0 1 383.399 3.099 20 0 GGADMN C[C@H](CO)CCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270725474 1434766868 /nfs/dbraw/zinc/76/68/68/1434766868.db2.gz XIWLBNYMOJKZHI-JCKWVBRZSA-N 0 1 385.911 3.180 20 0 GGADMN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270730763 1434767685 /nfs/dbraw/zinc/76/76/85/1434767685.db2.gz YJEPZEMCTHGCRA-CQSZACIVSA-N 0 1 392.463 3.114 20 0 GGADMN COCCCOc1cc(C)ccc1CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270735001 1434767858 /nfs/dbraw/zinc/76/78/58/1434767858.db2.gz ZCLGHGCWVFYJPM-HNNXBMFYSA-N 0 1 389.500 3.212 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)CCCCNC(=O)OCc2ccccc2)n[nH]1 ZINC000270738426 1434768177 /nfs/dbraw/zinc/76/81/77/1434768177.db2.gz KUJUUGNHOAVYGG-HNNXBMFYSA-N 0 1 387.484 3.202 20 0 GGADMN CC(C)c1nc([C@H](C)NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)n[nH]1 ZINC000270738422 1434768311 /nfs/dbraw/zinc/76/83/11/1434768311.db2.gz KUDFXUOEZOFBNQ-TVQRCGJNSA-N 0 1 393.900 3.262 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n[nH]1 ZINC000270750851 1434769715 /nfs/dbraw/zinc/76/97/15/1434769715.db2.gz MVBROQBMXXNYLN-CYBMUJFWSA-N 0 1 399.882 3.283 20 0 GGADMN COc1cccc(C=CC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1OC(F)F ZINC000270750060 1434769727 /nfs/dbraw/zinc/76/97/27/1434769727.db2.gz MRHZQTHJGWLQAP-TYBABMIJSA-N 0 1 380.395 3.429 20 0 GGADMN Cc1ccccc1C1(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)CCOCC1 ZINC000270749788 1434769921 /nfs/dbraw/zinc/76/99/21/1434769921.db2.gz OJIWOUPOSXIOHH-MRXNPFEDSA-N 0 1 385.512 3.345 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NC[C@H](C)CSc2ccccc2OC)n[nH]1 ZINC000270755235 1434770453 /nfs/dbraw/zinc/77/04/53/1434770453.db2.gz PDVQIHIZVNROOR-STQMWFEESA-N 0 1 377.514 3.164 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NC[C@H](C)CSc2ccccc2OC)n[nH]1 ZINC000270755233 1434770583 /nfs/dbraw/zinc/77/05/83/1434770583.db2.gz PDVQIHIZVNROOR-QWHCGFSZSA-N 0 1 377.514 3.164 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)NC[C@@H](C)CSc2ccccc2OC)n[nH]1 ZINC000270755230 1434770654 /nfs/dbraw/zinc/77/06/54/1434770654.db2.gz PDVQIHIZVNROOR-CHWSQXEVSA-N 0 1 377.514 3.164 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)n[nH]1 ZINC000270757108 1434770845 /nfs/dbraw/zinc/77/08/45/1434770845.db2.gz PPYIVTZNMIPYMI-GHMZBOCLSA-N 0 1 385.390 3.430 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)n[nH]1 ZINC000270759592 1434771238 /nfs/dbraw/zinc/77/12/38/1434771238.db2.gz QBNBGKYQMGKDPF-SNVBAGLBSA-N 0 1 390.875 3.356 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 ZINC000270758817 1434771312 /nfs/dbraw/zinc/77/13/12/1434771312.db2.gz PYRODAFVPXVOIX-CHWSQXEVSA-N 0 1 386.456 3.006 20 0 GGADMN CCc1nc([C@H](C)NC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)n[nH]1 ZINC000270762869 1434771778 /nfs/dbraw/zinc/77/17/78/1434771778.db2.gz QMXIMPYAPBQPCR-ZDUSSCGKSA-N 0 1 387.484 3.258 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)n[nH]1 ZINC000270763494 1434771910 /nfs/dbraw/zinc/77/19/10/1434771910.db2.gz PHUXRYFAVNRKOE-SNVBAGLBSA-N 0 1 378.358 3.063 20 0 GGADMN CCc1nc([C@H](C)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)n[nH]1 ZINC000270765266 1434772353 /nfs/dbraw/zinc/77/23/53/1434772353.db2.gz PQVJFWQTOZBFIM-JTQLQIEISA-N 0 1 375.379 3.110 20 0 GGADMN CCOc1cc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1OC(F)F ZINC000270766861 1434772588 /nfs/dbraw/zinc/77/25/88/1434772588.db2.gz RDQHMPPEMZJBNL-LLVKDONJSA-N 0 1 397.426 3.489 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)COc2ccc(C3SCCCS3)cc2)n[nH]1 ZINC000270766405 1434772719 /nfs/dbraw/zinc/77/27/19/1434772719.db2.gz PXLATENYBSKICI-GFCCVEGCSA-N 0 1 392.550 3.492 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000270769939 1434772807 /nfs/dbraw/zinc/77/28/07/1434772807.db2.gz 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CC(C)c1nc([C@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)n[nH]1 ZINC000270776742 1434773875 /nfs/dbraw/zinc/77/38/75/1434773875.db2.gz RQZDAAURDOBHIA-ZDUSSCGKSA-N 0 1 397.504 3.411 20 0 GGADMN COc1ccc(SCCC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1OC ZINC000270779633 1434774005 /nfs/dbraw/zinc/77/40/05/1434774005.db2.gz SGFWPGRZUNUDQU-GFCCVEGCSA-N 0 1 378.498 3.305 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n[nH]1 ZINC000270780538 1434774119 /nfs/dbraw/zinc/77/41/19/1434774119.db2.gz SJMOYNZQKBXKIO-SNVBAGLBSA-N 0 1 392.385 3.371 20 0 GGADMN COc1ccccc1OC[C@H](C)CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270782610 1434774334 /nfs/dbraw/zinc/77/43/34/1434774334.db2.gz HUAKRSHPWULHEX-ZIAGYGMSSA-N 0 1 375.473 3.012 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)n[nH]1 ZINC000270783995 1434774364 /nfs/dbraw/zinc/77/43/64/1434774364.db2.gz ULTUZRKXXBKOOY-KGLIPLIRSA-N 0 1 384.484 3.264 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)n[nH]1 ZINC000270787171 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O=C(NC1CCN(Cc2ccccn2)CC1)c1csc(-c2ncccc2F)n1 ZINC000271064457 1434799835 /nfs/dbraw/zinc/79/98/35/1434799835.db2.gz IMICZBKGWPXXJA-UHFFFAOYSA-N 0 1 397.479 3.134 20 0 GGADMN COCCCNC(=O)[C@@H](C)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000271079713 1434800680 /nfs/dbraw/zinc/80/06/80/1434800680.db2.gz QNTCJZATQAYFFB-DNVCBOLYSA-N 0 1 375.900 3.150 20 0 GGADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1csc(-c2ncccc2F)n1 ZINC000271081136 1434801030 /nfs/dbraw/zinc/80/10/30/1434801030.db2.gz RBYIYIOOSCCJGC-UHFFFAOYSA-N 0 1 397.479 3.134 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n[nH]1 ZINC000271109565 1434802556 /nfs/dbraw/zinc/80/25/56/1434802556.db2.gz INLIYKQRQULBNX-LLVKDONJSA-N 0 1 390.850 3.204 20 0 GGADMN CC(C)c1nc([C@@H](C)NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)n[nH]1 ZINC000271132631 1434803780 /nfs/dbraw/zinc/80/37/80/1434803780.db2.gz NFWIIAMPHTYTBZ-SNVBAGLBSA-N 0 1 390.394 3.411 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)n[nH]1 ZINC000271145695 1434804640 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COc1cc(OC)c(CN2CCC(OC[C@@H]3CCCCO3)CC2)c(OC)c1 ZINC000271197468 1434807688 /nfs/dbraw/zinc/80/76/88/1434807688.db2.gz UQBSGAPHMVLFBV-KRWDZBQOSA-N 0 1 379.497 3.263 20 0 GGADMN COc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc(OC)c1OC ZINC000271200943 1434807901 /nfs/dbraw/zinc/80/79/01/1434807901.db2.gz TXUQDZXCLPPDBK-ZBFHGGJFSA-N 0 1 394.512 3.448 20 0 GGADMN COc1cc(OC)c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1F ZINC000271217740 1434808878 /nfs/dbraw/zinc/80/88/78/1434808878.db2.gz MGLAQNBQDNZKBH-LBPRGKRZSA-N 0 1 389.431 3.250 20 0 GGADMN C[C@H]1C[C@H](NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000271220876 1434809003 /nfs/dbraw/zinc/80/90/03/1434809003.db2.gz FZWIPJWFWMGXOH-MAUKXSAKSA-N 0 1 379.932 3.419 20 0 GGADMN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000271220646 1434809007 /nfs/dbraw/zinc/80/90/07/1434809007.db2.gz ZZBPAXGQCJKDBX-HDMKZQKVSA-N 0 1 397.523 3.105 20 0 GGADMN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271220651 1434809055 /nfs/dbraw/zinc/80/90/55/1434809055.db2.gz ZZBPAXGQCJKDBX-RLFYNMQTSA-N 0 1 397.523 3.105 20 0 GGADMN CC(C)(C)Oc1cc(F)ccc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000271237522 1434810082 /nfs/dbraw/zinc/81/00/82/1434810082.db2.gz SMFPHNJDXHHAAE-UHFFFAOYSA-N 0 1 379.476 3.332 20 0 GGADMN CCOCCO[C@H]1CCN(Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000271246891 1434810653 /nfs/dbraw/zinc/81/06/53/1434810653.db2.gz COKKNVDKAUARJH-FQEVSTJZSA-N 0 1 386.492 3.297 20 0 GGADMN CCCCOc1ccc(C(=O)NCC(=O)Nc2c(C)n[nH]c2C(F)F)cc1 ZINC000271249025 1434810885 /nfs/dbraw/zinc/81/08/85/1434810885.db2.gz DHRDBAFOFYASEK-UHFFFAOYSA-N 0 1 380.395 3.203 20 0 GGADMN NC(=O)CCC1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000271256374 1434811357 /nfs/dbraw/zinc/81/13/57/1434811357.db2.gz SUXQEBLRBBTXAQ-JOCHJYFZSA-N 0 1 379.504 3.022 20 0 GGADMN Cc1n[nH]c(CCNC(=O)Nc2cccc(COCCOc3ccccc3)c2)n1 ZINC000271267295 1434812031 /nfs/dbraw/zinc/81/20/31/1434812031.db2.gz IRYYNGBSQDYOGP-UHFFFAOYSA-N 0 1 395.463 3.073 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000271292465 1434813639 /nfs/dbraw/zinc/81/36/39/1434813639.db2.gz QPMNRTWFFIOCOU-UHFFFAOYSA-N 0 1 395.391 3.447 20 0 GGADMN CCOc1ccccc1N1C[C@H](C(=O)Nc2c(C)n[nH]c2C(F)F)CC1=O ZINC000271314981 1434815374 /nfs/dbraw/zinc/81/53/74/1434815374.db2.gz WCZPSQGMZKVBFQ-LLVKDONJSA-N 0 1 378.379 3.046 20 0 GGADMN Cc1cc(C)c(N2C[C@H](C(=O)Nc3ccccc3-c3nnc[nH]3)CC2=O)c(C)c1 ZINC000271324428 1434816183 /nfs/dbraw/zinc/81/61/83/1434816183.db2.gz BLGOGLHMAAEHTH-MRXNPFEDSA-N 0 1 389.459 3.389 20 0 GGADMN Cc1n[nH]c([C@@H]2CCCN(Cc3nc4cc(C(F)(F)F)ccc4n3C)C2)n1 ZINC000271337918 1434817180 /nfs/dbraw/zinc/81/71/80/1434817180.db2.gz OCZMWDOPPJIKDI-GFCCVEGCSA-N 0 1 378.402 3.398 20 0 GGADMN C[C@H]1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)C[C@H]1n1ccnc1 ZINC000271337935 1434817254 /nfs/dbraw/zinc/81/72/54/1434817254.db2.gz WSGPYGCUDVPLCL-QFBILLFUSA-N 0 1 396.516 3.128 20 0 GGADMN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000271391770 1434821315 /nfs/dbraw/zinc/82/13/15/1434821315.db2.gz RKZMRXHUNIEPBX-UHFFFAOYSA-N 0 1 378.450 3.242 20 0 GGADMN COc1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(Cl)c1OC ZINC000271417591 1434822998 /nfs/dbraw/zinc/82/29/98/1434822998.db2.gz YPRQIQHVJXCVNM-RHSMWYFYSA-N 0 1 379.888 3.036 20 0 GGADMN COc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(Cl)c1OC ZINC000271417594 1434823121 /nfs/dbraw/zinc/82/31/21/1434823121.db2.gz YPRQIQHVJXCVNM-WMLDXEAASA-N 0 1 379.888 3.036 20 0 GGADMN COc1ccc([C@H](OC)[C@@H](C)NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000271426619 1434823702 /nfs/dbraw/zinc/82/37/02/1434823702.db2.gz WDFGWURMOOURBN-XJKCOSOUSA-N 0 1 375.473 3.073 20 0 GGADMN COc1ccc(NC(=O)CN2CCC[C@H]2Cn2cnc3ccccc32)c(OC)c1 ZINC000271428074 1434823903 /nfs/dbraw/zinc/82/39/03/1434823903.db2.gz SKMQSYRYCVSKMV-INIZCTEOSA-N 0 1 394.475 3.157 20 0 GGADMN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000271468325 1434827142 /nfs/dbraw/zinc/82/71/42/1434827142.db2.gz IETVTNKTSIVGJU-IIBYNOLFSA-N 0 1 391.475 3.031 20 0 GGADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271482394 1434828451 /nfs/dbraw/zinc/82/84/51/1434828451.db2.gz STPQWWQRJPGKHL-QWRGUYRKSA-N 0 1 378.301 3.420 20 0 GGADMN CC(C)C(=O)NC1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000271484131 1434828713 /nfs/dbraw/zinc/82/87/13/1434828713.db2.gz SVBDXDJUKSFGLD-UHFFFAOYSA-N 0 1 379.411 3.269 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)N[C@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000271498628 1434829905 /nfs/dbraw/zinc/82/99/05/1434829905.db2.gz KFDABHMEVHJZNC-FPOVZHCZSA-N 0 1 389.540 3.116 20 0 GGADMN COc1ccc(-c2nc3c(s2)[C@@H](N[C@@H](CO)c2cnn(C)c2)CCC3)cc1 ZINC000271511376 1434830885 /nfs/dbraw/zinc/83/08/85/1434830885.db2.gz NDUDAFATZBHNEZ-WMZOPIPTSA-N 0 1 384.505 3.253 20 0 GGADMN Cc1ccoc1C(=O)NCCCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271520368 1434831564 /nfs/dbraw/zinc/83/15/64/1434831564.db2.gz QEZUZKVNILVRFT-INIZCTEOSA-N 0 1 381.480 3.256 20 0 GGADMN CO[C@H](C)[C@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000271530120 1434832378 /nfs/dbraw/zinc/83/23/78/1434832378.db2.gz RWNFDRQBCIQKDS-QUJCMNEKSA-N 0 1 383.460 3.471 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3c(C)n[nH]c3C)n[nH]2)cc1OC ZINC000271548276 1434833856 /nfs/dbraw/zinc/83/38/56/1434833856.db2.gz KXEVFGFSDSPEAY-QGZVFWFLSA-N 0 1 395.463 3.411 20 0 GGADMN COc1cc([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000271550181 1434834052 /nfs/dbraw/zinc/83/40/52/1434834052.db2.gz ZVAZAVNCXGEWGK-CRAIPNDOSA-N 0 1 384.476 3.164 20 0 GGADMN COc1cc([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000271550185 1434834074 /nfs/dbraw/zinc/83/40/74/1434834074.db2.gz ZVAZAVNCXGEWGK-QAPCUYQASA-N 0 1 384.476 3.164 20 0 GGADMN CCc1nn(C)cc1NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000271552671 1434834329 /nfs/dbraw/zinc/83/43/29/1434834329.db2.gz KEXLSYRBHKHXSY-FQEVSTJZSA-N 0 1 385.512 3.340 20 0 GGADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(N3CCOC3=O)cc2)C1=O ZINC000271558063 1434834758 /nfs/dbraw/zinc/83/47/58/1434834758.db2.gz XDXDHYIOLARDOW-QAPCUYQASA-N 0 1 395.459 3.108 20 0 GGADMN CCc1nn(C)cc1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000271579606 1434836498 /nfs/dbraw/zinc/83/64/98/1434836498.db2.gz HHXNONSAOBGYNK-UHFFFAOYSA-N 0 1 379.468 3.179 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000271595126 1434837743 /nfs/dbraw/zinc/83/77/43/1434837743.db2.gz KLHJJOZPXKQQOD-CQSZACIVSA-N 0 1 385.468 3.447 20 0 GGADMN CCc1nn(C)cc1NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000271596565 1434837929 /nfs/dbraw/zinc/83/79/29/1434837929.db2.gz WQUPIITWVXGWRN-OAHLLOKOSA-N 0 1 395.429 3.397 20 0 GGADMN CCc1nn(C)cc1NC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000271604841 1434838440 /nfs/dbraw/zinc/83/84/40/1434838440.db2.gz YOJKFMOVYLLLJA-LJQANCHMSA-N 0 1 385.512 3.340 20 0 GGADMN COc1ccc([C@H](CCO)NCC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000271609804 1434838774 /nfs/dbraw/zinc/83/87/74/1434838774.db2.gz BGSIDYVWXZRSSD-FQEVSTJZSA-N 0 1 388.533 3.089 20 0 GGADMN CCCCOc1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000271616057 1434839375 /nfs/dbraw/zinc/83/93/75/1434839375.db2.gz BCZOKXFFKVKBPJ-OAHLLOKOSA-N 0 1 392.521 3.372 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000271643668 1434841305 /nfs/dbraw/zinc/84/13/05/1434841305.db2.gz CZCOSKMDZTUMFF-CQSZACIVSA-N 0 1 388.464 3.319 20 0 GGADMN COc1cc([C@H](C)NCC(=O)N(C)Cc2ccccc2F)cc(OC)c1OC ZINC000271646387 1434841431 /nfs/dbraw/zinc/84/14/31/1434841431.db2.gz DKQGLHUOZCCNLP-AWEZNQCLSA-N 0 1 390.455 3.161 20 0 GGADMN COc1ncc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1Cl ZINC000271660750 1434842753 /nfs/dbraw/zinc/84/27/53/1434842753.db2.gz KDPGGAZRQQUPIP-ZDUSSCGKSA-N 0 1 395.912 3.134 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000271668410 1434843088 /nfs/dbraw/zinc/84/30/88/1434843088.db2.gz AJQZQTDSFRJKRT-UHFFFAOYSA-N 0 1 395.434 3.289 20 0 GGADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000271674237 1434843407 /nfs/dbraw/zinc/84/34/07/1434843407.db2.gz HEXFWKKBFSKRLG-VQTJNVASSA-N 0 1 386.517 3.384 20 0 GGADMN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000271674228 1434843451 /nfs/dbraw/zinc/84/34/51/1434843451.db2.gz HEXFWKKBFSKRLG-PMACEKPBSA-N 0 1 386.517 3.384 20 0 GGADMN Cc1csc([C@@](O)(CC(=O)Nc2ccccc2-c2nnc[nH]2)C(F)(F)F)n1 ZINC000271682286 1434843856 /nfs/dbraw/zinc/84/38/56/1434843856.db2.gz QNTWEMQLMVILIS-HNNXBMFYSA-N 0 1 397.382 3.015 20 0 GGADMN COC(=O)C1CCN(C(=O)CN[C@H](c2ccc(F)cc2F)C(C)(C)C)CC1 ZINC000271685094 1434844033 /nfs/dbraw/zinc/84/40/33/1434844033.db2.gz CVYFEBXJPLHTTK-GOSISDBHSA-N 0 1 382.451 3.053 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CNC2(c3cccc(OC)c3)CC2)c1 ZINC000271685201 1434844111 /nfs/dbraw/zinc/84/41/11/1434844111.db2.gz HELWXGJEPGCLDB-UHFFFAOYSA-N 0 1 395.503 3.395 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc([C@@H]2CCOC2)c1 ZINC000271687115 1434844140 /nfs/dbraw/zinc/84/41/40/1434844140.db2.gz DPFSDQMIINJLSE-HXUWFJFHSA-N 0 1 380.488 3.400 20 0 GGADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(C(C)=O)c3)ccc2NC1=O ZINC000271705885 1434845238 /nfs/dbraw/zinc/84/52/38/1434845238.db2.gz IPALTCCWWDRNKZ-YJYMSZOUSA-N 0 1 395.459 3.288 20 0 GGADMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)cc1 ZINC000271708027 1434845325 /nfs/dbraw/zinc/84/53/25/1434845325.db2.gz ADDRMEGVXWSAHV-OSDLLDQCSA-N 0 1 376.497 3.480 20 0 GGADMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271708023 1434845356 /nfs/dbraw/zinc/84/53/56/1434845356.db2.gz ADDRMEGVXWSAHV-DLOXHAQLSA-N 0 1 376.497 3.480 20 0 GGADMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000271707982 1434845394 /nfs/dbraw/zinc/84/53/94/1434845394.db2.gz AAWBICRSKFGLBH-VXKZXEGRSA-N 0 1 390.505 3.119 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000271710817 1434845527 /nfs/dbraw/zinc/84/55/27/1434845527.db2.gz ASWOVBLEGCIJIS-OQRWROFFSA-N 0 1 385.533 3.314 20 0 GGADMN CSc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1C ZINC000271712225 1434845756 /nfs/dbraw/zinc/84/57/56/1434845756.db2.gz OQEODFDUYLRBDR-GOSISDBHSA-N 0 1 385.533 3.258 20 0 GGADMN COC1(C)CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000271718802 1434846036 /nfs/dbraw/zinc/84/60/36/1434846036.db2.gz KMDHSJVUZRAZAX-UHFFFAOYSA-N 0 1 386.492 3.114 20 0 GGADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C(C)(C)c2ccc(OC)cc2)c1 ZINC000271729479 1434846654 /nfs/dbraw/zinc/84/66/54/1434846654.db2.gz ZAVCRMBDWMBBEZ-UHFFFAOYSA-N 0 1 377.462 3.111 20 0 GGADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC ZINC000271734501 1434846799 /nfs/dbraw/zinc/84/67/99/1434846799.db2.gz HHYITCUTIZXYHW-HNNXBMFYSA-N 0 1 399.491 3.003 20 0 GGADMN COc1cccc([C@@H](C)NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000271733055 1434846856 /nfs/dbraw/zinc/84/68/56/1434846856.db2.gz YWHLGKUNHODTER-CQSZACIVSA-N 0 1 389.883 3.096 20 0 GGADMN CCc1nc([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n[nH]1 ZINC000271740049 1434847251 /nfs/dbraw/zinc/84/72/51/1434847251.db2.gz DYQWCPSGNLYTCO-DYQSUWPFSA-N 0 1 381.839 3.050 20 0 GGADMN COc1cc([C@@H](C)NC[C@@H]2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC ZINC000271740176 1434847257 /nfs/dbraw/zinc/84/72/57/1434847257.db2.gz IJQHTGAIRNWTIT-RHSMWYFYSA-N 0 1 386.448 3.388 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC ZINC000271740360 1434847367 /nfs/dbraw/zinc/84/73/67/1434847367.db2.gz IOCFOONZDQOMKO-LLVKDONJSA-N 0 1 380.391 3.280 20 0 GGADMN CCCOCc1ccccc1CNC(=O)CN[C@H](CCCO)c1ccccc1 ZINC000271740768 1434847373 /nfs/dbraw/zinc/84/73/73/1434847373.db2.gz CGEZDQFDYUIGJM-JOCHJYFZSA-N 0 1 384.520 3.333 20 0 GGADMN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000271746162 1434847539 /nfs/dbraw/zinc/84/75/39/1434847539.db2.gz QYXSVURNSBIALS-GJZGRUSLSA-N 0 1 389.521 3.169 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1OC ZINC000271747246 1434847742 /nfs/dbraw/zinc/84/77/42/1434847742.db2.gz JTEYJTIKRRXMJI-CQSZACIVSA-N 0 1 388.464 3.319 20 0 GGADMN COc1cc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)cc(OC)c1 ZINC000271746428 1434847779 /nfs/dbraw/zinc/84/77/79/1434847779.db2.gz JQTWTIWCJBMKIR-CQSZACIVSA-N 0 1 388.464 3.319 20 0 GGADMN CN(Cc1nccn1C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271753022 1434848076 /nfs/dbraw/zinc/84/80/76/1434848076.db2.gz GFLVIMKPGNTSFF-KSSFIOAISA-N 0 1 393.894 3.047 20 0 GGADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](CCCO)c2ccccc2)c1 ZINC000271754361 1434848128 /nfs/dbraw/zinc/84/81/28/1434848128.db2.gz GOQPVCPGRJQVDC-NRFANRHFSA-N 0 1 397.519 3.211 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(C)c1-c1ccccc1 ZINC000271755639 1434848271 /nfs/dbraw/zinc/84/82/71/1434848271.db2.gz UKNZZJOCLYQDLG-UHFFFAOYSA-N 0 1 389.503 3.400 20 0 GGADMN C[C@H](CCO)C1(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000271764545 1434848748 /nfs/dbraw/zinc/84/87/48/1434848748.db2.gz BRZGKKCZCHMEIL-MSOLQXFVSA-N 0 1 388.556 3.095 20 0 GGADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@@H](COC)c1ccccc1 ZINC000271768646 1434849103 /nfs/dbraw/zinc/84/91/03/1434849103.db2.gz FNTJVJDTOZLYRY-IBGZPJMESA-N 0 1 386.492 3.030 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(-c2ccco2)[nH]c1=O ZINC000271768308 1434849113 /nfs/dbraw/zinc/84/91/13/1434849113.db2.gz QAGYPQVCOSWRJZ-UHFFFAOYSA-N 0 1 393.443 3.256 20 0 GGADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000271775318 1434849637 /nfs/dbraw/zinc/84/96/37/1434849637.db2.gz KNYFANSLVICLSX-NRFANRHFSA-N 0 1 397.519 3.211 20 0 GGADMN COCc1cccc(CNC(=O)CN[C@H](C)c2ccccc2OC(F)F)c1 ZINC000271774734 1434849714 /nfs/dbraw/zinc/84/97/14/1434849714.db2.gz OFCXQYMZRYCXNX-CQSZACIVSA-N 0 1 378.419 3.401 20 0 GGADMN COC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000271779751 1434849883 /nfs/dbraw/zinc/84/98/83/1434849883.db2.gz OXBGOQMRFYMYNL-CQSZACIVSA-N 0 1 395.459 3.111 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000271781602 1434850027 /nfs/dbraw/zinc/85/00/27/1434850027.db2.gz PGMXCURFSRYQBW-AWEZNQCLSA-N 0 1 397.475 3.342 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000271781604 1434850074 /nfs/dbraw/zinc/85/00/74/1434850074.db2.gz PGMXCURFSRYQBW-CQSZACIVSA-N 0 1 397.475 3.342 20 0 GGADMN COc1cc([C@H](C)N[C@H](C)CS(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000271784451 1434850380 /nfs/dbraw/zinc/85/03/80/1434850380.db2.gz HNHARYIFNFWLLP-CABCVRRESA-N 0 1 393.505 3.225 20 0 GGADMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000271788292 1434850709 /nfs/dbraw/zinc/85/07/09/1434850709.db2.gz JOAUBPDDGFLLIN-HNNXBMFYSA-N 0 1 397.475 3.120 20 0 GGADMN COC(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)o1 ZINC000271789385 1434850798 /nfs/dbraw/zinc/85/07/98/1434850798.db2.gz QJNJARFVIDJSEB-KGLIPLIRSA-N 0 1 386.448 3.135 20 0 GGADMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271793378 1434850952 /nfs/dbraw/zinc/85/09/52/1434850952.db2.gz JPXNYXAHAFUGNC-FLDNJWGVSA-N 0 1 376.497 3.433 20 0 GGADMN C[C@H](NCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000271794819 1434851021 /nfs/dbraw/zinc/85/10/21/1434851021.db2.gz IWEZSUHFPGYZCR-KSFYIVLOSA-N 0 1 391.515 3.392 20 0 GGADMN C[C@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000271794814 1434851058 /nfs/dbraw/zinc/85/10/58/1434851058.db2.gz IWEZSUHFPGYZCR-AOMKIAJQSA-N 0 1 391.515 3.392 20 0 GGADMN C[C@@H](NCC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc2c(c1)CC(=O)N2C ZINC000271794829 1434851124 /nfs/dbraw/zinc/85/11/24/1434851124.db2.gz IWEZSUHFPGYZCR-ZHRRBRCNSA-N 0 1 391.515 3.392 20 0 GGADMN COc1cc([C@H](C)NCC(=O)Nc2cc(C(C)(C)C)no2)cc(OC)c1OC ZINC000271795275 1434851132 /nfs/dbraw/zinc/85/11/32/1434851132.db2.gz RIIBIHDWAXIHPG-LBPRGKRZSA-N 0 1 391.468 3.287 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)Nc2cc(C(C)(C)C)no2)cc(OC)c1OC ZINC000271795258 1434851216 /nfs/dbraw/zinc/85/12/16/1434851216.db2.gz RIIBIHDWAXIHPG-GFCCVEGCSA-N 0 1 391.468 3.287 20 0 GGADMN COc1cccc(CNC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000271802785 1434851494 /nfs/dbraw/zinc/85/14/94/1434851494.db2.gz MOMZOVUJHNSGBR-HZPDHXFCSA-N 0 1 397.475 3.007 20 0 GGADMN C[C@@H](NCC(=O)N[C@H](C)c1ccccc1Cl)c1ccc2c(c1)CC(=O)N2C ZINC000271807141 1434851908 /nfs/dbraw/zinc/85/19/08/1434851908.db2.gz LNYVHLLCOSQUSN-ZIAGYGMSSA-N 0 1 385.895 3.387 20 0 GGADMN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H](C)CN2CCOCC2)C3)cs1 ZINC000271806833 1434851953 /nfs/dbraw/zinc/85/19/53/1434851953.db2.gz OGVRDYJVLAJRTH-ZDUSSCGKSA-N 0 1 391.562 3.033 20 0 GGADMN C[C@@H](NCC(=O)N1CCSc2ccccc21)c1cccc(N2CCOC2=O)c1 ZINC000271805953 1434851957 /nfs/dbraw/zinc/85/19/57/1434851957.db2.gz NLDICJWZEZBOHK-OAHLLOKOSA-N 0 1 397.500 3.433 20 0 GGADMN COc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271807410 1434851967 /nfs/dbraw/zinc/85/19/67/1434851967.db2.gz NTCNWAXVWJCPBU-HZPDHXFCSA-N 0 1 397.475 3.007 20 0 GGADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271809352 1434852093 /nfs/dbraw/zinc/85/20/93/1434852093.db2.gz OAGFDIDYORMFCQ-CVEARBPZSA-N 0 1 397.475 3.180 20 0 GGADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](CCO)c2ccccc2)cc1OC ZINC000271811183 1434852107 /nfs/dbraw/zinc/85/21/07/1434852107.db2.gz UICIOMFMUZLKGU-PMACEKPBSA-N 0 1 398.503 3.081 20 0 GGADMN COc1cc([C@@H](C)NCC(=O)N(C2CC2)C2CCCC2)cc(OC)c1OC ZINC000271822126 1434852831 /nfs/dbraw/zinc/85/28/31/1434852831.db2.gz VVXUYSAQBJWXAV-CQSZACIVSA-N 0 1 376.497 3.297 20 0 GGADMN CC(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000271827786 1434853223 /nfs/dbraw/zinc/85/32/23/1434853223.db2.gz RFOWAQMJLGNDCL-CQSZACIVSA-N 0 1 381.432 3.135 20 0 GGADMN C[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc([S@@](C)=O)cc1 ZINC000271827840 1434853270 /nfs/dbraw/zinc/85/32/70/1434853270.db2.gz QIMKITMVCXQNQU-MZHQLVBMSA-N 0 1 382.432 3.315 20 0 GGADMN C[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1ccc2c(c1)CC(=O)N2C ZINC000271831862 1434853402 /nfs/dbraw/zinc/85/34/02/1434853402.db2.gz PTXQPJTYHIDFNX-GFCCVEGCSA-N 0 1 380.473 3.105 20 0 GGADMN CC(C)Oc1ccc(CCNC(=O)CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000271831586 1434853458 /nfs/dbraw/zinc/85/34/58/1434853458.db2.gz UPEOTCNSVKJVJR-QFIPXVFZSA-N 0 1 384.520 3.236 20 0 GGADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(OC)c1 ZINC000271837826 1434853969 /nfs/dbraw/zinc/85/39/69/1434853969.db2.gz YAFCYHICGOTYKT-CQSZACIVSA-N 0 1 397.475 3.342 20 0 GGADMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)c1 ZINC000271840192 1434854042 /nfs/dbraw/zinc/85/40/42/1434854042.db2.gz SRQOSEZXDNYAPM-QZXCRCNTSA-N 0 1 387.505 3.040 20 0 GGADMN CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000271844649 1434854360 /nfs/dbraw/zinc/85/43/60/1434854360.db2.gz YYKBKMXUVDGJEL-OAHLLOKOSA-N 0 1 399.491 3.051 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2occc2C(=O)OC)CC1 ZINC000271861544 1434855587 /nfs/dbraw/zinc/85/55/87/1434855587.db2.gz YZQXUVYHSODLSS-HNNXBMFYSA-N 0 1 389.471 3.198 20 0 GGADMN C[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc2c(c1)CC(=O)N2C ZINC000271870613 1434856044 /nfs/dbraw/zinc/85/60/44/1434856044.db2.gz WCYWHXMKNBIWED-IQMFZBJNSA-N 0 1 377.488 3.124 20 0 GGADMN CC(C)(CCCO)CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000271870849 1434856151 /nfs/dbraw/zinc/85/61/51/1434856151.db2.gz ZUSKVTHDSQKHOX-UHFFFAOYSA-N 0 1 385.512 3.159 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271875443 1434856337 /nfs/dbraw/zinc/85/63/37/1434856337.db2.gz XOHJIWMAZSNBHO-KBPBESRZSA-N 0 1 379.460 3.086 20 0 GGADMN C[C@H](NCC(=O)Nc1cccc2c1N=S=N2)c1ccc2c(c1)CC(=O)N2C ZINC000271876419 1434856484 /nfs/dbraw/zinc/85/64/84/1434856484.db2.gz XULOSVAJRDQJKK-NSHDSACASA-N 0 1 381.461 3.221 20 0 GGADMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271876346 1434856571 /nfs/dbraw/zinc/85/65/71/1434856571.db2.gz XSUSZIVFRQZUBW-HUUCEWRRSA-N 0 1 383.467 3.215 20 0 GGADMN C[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271896290 1434857885 /nfs/dbraw/zinc/85/78/85/1434857885.db2.gz XHCRUSQXKCHGLG-GFCCVEGCSA-N 0 1 388.411 3.126 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000271922779 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BTHMRUWDOCCHSL-BBRMVZONSA-N 0 1 389.805 3.327 20 0 GGADMN Cn1ccnc1[C@](O)(CN[C@H]1CCCOc2c(Cl)cccc21)C(F)(F)F ZINC000272010934 1434865614 /nfs/dbraw/zinc/86/56/14/1434865614.db2.gz BTHMRUWDOCCHSL-XJKSGUPXSA-N 0 1 389.805 3.327 20 0 GGADMN C[C@]1(CCCO)CCCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000272010989 1434865684 /nfs/dbraw/zinc/86/56/84/1434865684.db2.gz KGBFOCAXECTVGW-LAUBAEHRSA-N 0 1 385.464 3.177 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCSc3ccc4c(c3)OCCO4)CC2)n[nH]1 ZINC000272036282 1434867848 /nfs/dbraw/zinc/86/78/48/1434867848.db2.gz BUJAUTXFGIISEZ-UHFFFAOYSA-N 0 1 387.505 3.378 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)CCc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000272037258 1434867926 /nfs/dbraw/zinc/86/79/26/1434867926.db2.gz BZYTZODJFQAYMM-UHFFFAOYSA-N 0 1 385.445 3.493 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000272042996 1434868328 /nfs/dbraw/zinc/86/83/28/1434868328.db2.gz PAOJCLSIZGPLDN-JOCHJYFZSA-N 0 1 395.459 3.096 20 0 GGADMN Cc1cc(C2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)n[nH]1 ZINC000272042071 1434868340 /nfs/dbraw/zinc/86/83/40/1434868340.db2.gz CPHDGJINOKGEEQ-UHFFFAOYSA-N 0 1 382.508 3.152 20 0 GGADMN COc1cc(-c2noc(CN3CCC[C@@]3(C)CCCO)n2)ccc1OC(F)F ZINC000272049162 1434868734 /nfs/dbraw/zinc/86/87/34/1434868734.db2.gz SYYYATCBXRSCHT-IBGZPJMESA-N 0 1 397.422 3.474 20 0 GGADMN Cc1cc(C2CCN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CC2)n[nH]1 ZINC000272055132 1434869191 /nfs/dbraw/zinc/86/91/91/1434869191.db2.gz FPMCGXRCLOXRSX-UHFFFAOYSA-N 0 1 389.459 3.385 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4c[nH]c5ncccc45)C3)[nH]c2c1 ZINC000272062197 1434869602 /nfs/dbraw/zinc/86/96/02/1434869602.db2.gz CPESKNOUXWTYLM-AWEZNQCLSA-N 0 1 395.488 3.316 20 0 GGADMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272064603 1434869903 /nfs/dbraw/zinc/86/99/03/1434869903.db2.gz BAKGGJGZMZEIES-OAHLLOKOSA-N 0 1 393.513 3.026 20 0 GGADMN COC(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)nc1 ZINC000272067670 1434869999 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20 0 GGADMN COc1ccc(CCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c(OC)c1OC ZINC000272113227 1434872907 /nfs/dbraw/zinc/87/29/07/1434872907.db2.gz OVYDLQJVQYYBBN-UHFFFAOYSA-N 0 1 387.480 3.083 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC3=O)n[nH]2)cc1OC ZINC000272132956 1434874026 /nfs/dbraw/zinc/87/40/26/1434874026.db2.gz BYZGSPNDOVXCNI-WMLDXEAASA-N 0 1 383.448 3.068 20 0 GGADMN COc1ccc(-c2noc(CCC(=O)N3CCC(c4cc(C)[nH]n4)CC3)n2)cc1 ZINC000272152922 1434875152 /nfs/dbraw/zinc/87/51/52/1434875152.db2.gz WEPMUEUEUNKAAG-UHFFFAOYSA-N 0 1 395.463 3.116 20 0 GGADMN CC(C)(C)Oc1ccc(CNCc2ccccc2OCC(=O)NCC2CC2)cn1 ZINC000272172521 1434876085 /nfs/dbraw/zinc/87/60/85/1434876085.db2.gz INKUZIBHXPZQTH-UHFFFAOYSA-N 0 1 397.519 3.454 20 0 GGADMN Cc1nnc(N2CC[C@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC000272182334 1434876550 /nfs/dbraw/zinc/87/65/50/1434876550.db2.gz JGBJMNFNCXCZHK-OLZOCXBDSA-N 0 1 388.390 3.027 20 0 GGADMN Cc1cc(C)c2c(c1)[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)CCCO2 ZINC000272183395 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393.495 3.223 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000272235959 1434880414 /nfs/dbraw/zinc/88/04/14/1434880414.db2.gz WOSADYDYANLEIS-ONGXEEELSA-N 0 1 386.422 3.285 20 0 GGADMN CC[C@H](C)[C@H](O)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272236840 1434880546 /nfs/dbraw/zinc/88/05/46/1434880546.db2.gz AEVTUKFNMCWODL-KPOBHBOGSA-N 0 1 379.497 3.315 20 0 GGADMN COCC[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(C)o1 ZINC000272254708 1434881985 /nfs/dbraw/zinc/88/19/85/1434881985.db2.gz ZBTORIKYFAASCB-LJQANCHMSA-N 0 1 386.496 3.024 20 0 GGADMN CN1CC[C@H]2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)[C@H]2C1 ZINC000272262604 1434882343 /nfs/dbraw/zinc/88/23/43/1434882343.db2.gz ASKCSPLSGNGLQE-PXNSSMCTSA-N 0 1 387.487 3.101 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(-n2cccn2)cc1 ZINC000272262794 1434882377 /nfs/dbraw/zinc/88/23/77/1434882377.db2.gz MAYKPQFIKMZCGG-VGSWGCGISA-N 0 1 389.503 3.495 20 0 GGADMN NC(=O)c1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272260729 1434882391 /nfs/dbraw/zinc/88/23/91/1434882391.db2.gz QKJKPMPQZIRVFZ-INIZCTEOSA-N 0 1 396.495 3.363 20 0 GGADMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2cccn2)cc1 ZINC000272262791 1434882407 /nfs/dbraw/zinc/88/24/07/1434882407.db2.gz MAYKPQFIKMZCGG-VGOFRKELSA-N 0 1 389.503 3.495 20 0 GGADMN CC(=O)c1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n(C)c1 ZINC000272270577 1434882967 /nfs/dbraw/zinc/88/29/67/1434882967.db2.gz RXBTXMWWFFYIJZ-MRXNPFEDSA-N 0 1 383.496 3.413 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000272282537 1434884080 /nfs/dbraw/zinc/88/40/80/1434884080.db2.gz BVTBYGULOKONKY-NSHDSACASA-N 0 1 388.415 3.010 20 0 GGADMN O=C(COc1ccccc1O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272297140 1434885103 /nfs/dbraw/zinc/88/51/03/1434885103.db2.gz WDUQZLGHGDYITK-MRXNPFEDSA-N 0 1 384.480 3.343 20 0 GGADMN NC(=O)c1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000272295731 1434885150 /nfs/dbraw/zinc/88/51/50/1434885150.db2.gz VYHTWOLEFDFRTO-INIZCTEOSA-N 0 1 396.495 3.363 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2sccc2CN(C)C)C1 ZINC000272297581 1434885178 /nfs/dbraw/zinc/88/51/78/1434885178.db2.gz PDUXTGJXPKACEY-KBPBESRZSA-N 0 1 381.542 3.185 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2sccc2CN(C)C)C1 ZINC000272297586 1434885186 /nfs/dbraw/zinc/88/51/86/1434885186.db2.gz PDUXTGJXPKACEY-KGLIPLIRSA-N 0 1 381.542 3.185 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)n3nnnc3C(C)(C)C)[nH]c2c1 ZINC000272307237 1434886037 /nfs/dbraw/zinc/88/60/37/1434886037.db2.gz YNFPYOKAPKIHOO-CZUORRHYSA-N 0 1 381.484 3.080 20 0 GGADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3OC(C)C)ccc21 ZINC000272319119 1434886902 /nfs/dbraw/zinc/88/69/02/1434886902.db2.gz SXUFSZGHMWRZHO-UHFFFAOYSA-N 0 1 392.452 3.323 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NC2CCC(O)CC2)c2ccc(F)c(F)c2)c1 ZINC000272324562 1434887332 /nfs/dbraw/zinc/88/73/32/1434887332.db2.gz VAYLAKOXYVWPKO-PMTKGXAQSA-N 0 1 395.471 3.351 20 0 GGADMN CCN(CC)CCN[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272338317 1434888378 /nfs/dbraw/zinc/88/83/78/1434888378.db2.gz YBZGUSUPHZVQEP-HXUWFJFHSA-N 0 1 378.513 3.250 20 0 GGADMN O=C(Cc1ccncc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000272352147 1434889570 /nfs/dbraw/zinc/88/95/70/1434889570.db2.gz KVWAXFYALOWHED-UHFFFAOYSA-N 0 1 377.410 3.377 20 0 GGADMN O=C1[C@@H]2CCCCN2C(=O)N1[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272356397 1434889997 /nfs/dbraw/zinc/88/99/97/1434889997.db2.gz GEDQCZVSKPFAKR-CVEARBPZSA-N 0 1 381.398 3.096 20 0 GGADMN Nc1cccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000272361868 1434890427 /nfs/dbraw/zinc/89/04/27/1434890427.db2.gz SHPCTUNBTVOJFX-UHFFFAOYSA-N 0 1 378.398 3.031 20 0 GGADMN C[C@H](C(=O)NCCc1cccs1)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272378574 1434892006 /nfs/dbraw/zinc/89/20/06/1434892006.db2.gz BPHUNQRKNWDCEM-ARFHVFGLSA-N 0 1 395.569 3.030 20 0 GGADMN CS(=O)(=O)c1cccc([C@H](NC[C@H]2CCCCO2)c2ccc(F)cc2)c1 ZINC000272419273 1434895134 /nfs/dbraw/zinc/89/51/34/1434895134.db2.gz LPRNDSDNMDQIGK-UYAOXDASSA-N 0 1 377.481 3.477 20 0 GGADMN C[C@@]12CCCN1C(=O)N([C@@H]1CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000272438736 1434896123 /nfs/dbraw/zinc/89/61/23/1434896123.db2.gz OAEATIUDSPGYNN-QAPCUYQASA-N 0 1 381.398 3.096 20 0 GGADMN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)[C@H]1CCCN1C1CCOCC1 ZINC000272437969 1434896130 /nfs/dbraw/zinc/89/61/30/1434896130.db2.gz HVENKOXZFMGIFM-QZTJIDSGSA-N 0 1 384.442 3.310 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000272437790 1434896204 /nfs/dbraw/zinc/89/62/04/1434896204.db2.gz IGJMCCXVVKOKKR-JKSUJKDBSA-N 0 1 393.503 3.019 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000272437787 1434896224 /nfs/dbraw/zinc/89/62/24/1434896224.db2.gz IGJMCCXVVKOKKR-HZPDHXFCSA-N 0 1 393.503 3.019 20 0 GGADMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cccc(O)c1OC ZINC000272440020 1434896370 /nfs/dbraw/zinc/89/63/70/1434896370.db2.gz OLKQVZABFGEGLD-UHFFFAOYSA-N 0 1 378.856 3.490 20 0 GGADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CC[C@@H](COc2ccccc2)C1 ZINC000272473804 1434898796 /nfs/dbraw/zinc/89/87/96/1434898796.db2.gz XOTLCUYYCMLWNO-LJQANCHMSA-N 0 1 394.519 3.157 20 0 GGADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccccc2)C1 ZINC000272485360 1434899622 /nfs/dbraw/zinc/89/96/22/1434899622.db2.gz MPEKGIMJZIKDAT-LZLYRXPVSA-N 0 1 375.513 3.099 20 0 GGADMN CS[C@H](CO)[C@@H](C)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272497925 1434900918 /nfs/dbraw/zinc/90/09/18/1434900918.db2.gz VIYRQDRFHWLUDZ-UPRAQXHNSA-N 0 1 397.537 3.021 20 0 GGADMN COc1ccc(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1NC(=O)C1CCCCC1 ZINC000272503072 1434901597 /nfs/dbraw/zinc/90/15/97/1434901597.db2.gz VVELBLCQXLHVPH-LBPRGKRZSA-N 0 1 386.456 3.215 20 0 GGADMN COCC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000272517822 1434902990 /nfs/dbraw/zinc/90/29/90/1434902990.db2.gz JLZMUVLVTUHIEU-APWZRJJASA-N 0 1 386.496 3.277 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000272518067 1434903386 /nfs/dbraw/zinc/90/33/86/1434903386.db2.gz PQDFJVLARWWGPU-RYQLBKOJSA-N 0 1 375.513 3.051 20 0 GGADMN C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272537081 1434905333 /nfs/dbraw/zinc/90/53/33/1434905333.db2.gz RKDHEFCGBWZFQZ-ZMSDIMECSA-N 0 1 393.503 3.066 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000272537288 1434905398 /nfs/dbraw/zinc/90/53/98/1434905398.db2.gz RLSWFTGCOXXBBJ-KBPBESRZSA-N 0 1 380.460 3.427 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)[C@H]2C1 ZINC000272550157 1434906924 /nfs/dbraw/zinc/90/69/24/1434906924.db2.gz CYBQBNSMHVSIBI-WBVHZDCISA-N 0 1 393.516 3.162 20 0 GGADMN COCC[C@@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1ccco1 ZINC000272550952 1434907041 /nfs/dbraw/zinc/90/70/41/1434907041.db2.gz MFRRVGUSLJBLRV-LJQANCHMSA-N 0 1 386.496 3.239 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000272559368 1434907601 /nfs/dbraw/zinc/90/76/01/1434907601.db2.gz UBUICSKZWHICHA-ZOBUZTSGSA-N 0 1 393.503 3.066 20 0 GGADMN C[C@@]1(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCCOC1 ZINC000272578554 1434910004 /nfs/dbraw/zinc/91/00/04/1434910004.db2.gz AJLNXPTYOWLRTD-HSZRJFAPSA-N 0 1 394.519 3.159 20 0 GGADMN C[C@@H](NCC(=O)NCC1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000272579175 1434910314 /nfs/dbraw/zinc/91/03/14/1434910314.db2.gz GOLUKVWIIDZQHI-MRXNPFEDSA-N 0 1 378.476 3.090 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OC ZINC000272585100 1434910971 /nfs/dbraw/zinc/91/09/71/1434910971.db2.gz BNGIUKMFXOLLIC-YOEHRIQHSA-N 0 1 376.522 3.363 20 0 GGADMN COc1ccc(C[C@H](C)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC ZINC000272585099 1434911006 /nfs/dbraw/zinc/91/10/06/1434911006.db2.gz BNGIUKMFXOLLIC-WMLDXEAASA-N 0 1 376.522 3.363 20 0 GGADMN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000272621810 1434916219 /nfs/dbraw/zinc/91/62/19/1434916219.db2.gz LZDXRMXVALQIBO-HNNXBMFYSA-N 0 1 393.484 3.032 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272626913 1434917052 /nfs/dbraw/zinc/91/70/52/1434917052.db2.gz VUKHMRYORWJVAY-CYBMUJFWSA-N 0 1 382.390 3.049 20 0 GGADMN CCCCCN(CCCOC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000272627987 1434917167 /nfs/dbraw/zinc/91/71/67/1434917167.db2.gz VVADLERUMURFOE-UHFFFAOYSA-N 0 1 375.469 3.151 20 0 GGADMN CN1CC[C@@H]2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)[C@H]2C1 ZINC000272631588 1434917476 /nfs/dbraw/zinc/91/74/76/1434917476.db2.gz NIAOVKCHQLFDBH-DOMZBBRYSA-N 0 1 392.912 3.035 20 0 GGADMN CCOc1ccccc1C(=O)NCCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000272643860 1434919030 /nfs/dbraw/zinc/91/90/30/1434919030.db2.gz DCNQKMJCTBOZQX-UHFFFAOYSA-N 0 1 384.432 3.142 20 0 GGADMN O=C(NCCc1cccc2cccnc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000272655384 1434920315 /nfs/dbraw/zinc/92/03/15/1434920315.db2.gz LJDNECBZPRWVOY-SFHVURJKSA-N 0 1 390.491 3.362 20 0 GGADMN CN(CCC1CCN(Cc2cc(C(N)=O)cs2)CC1)C(=O)OC(C)(C)C ZINC000272677213 1434921743 /nfs/dbraw/zinc/92/17/43/1434921743.db2.gz RGURSYVLDWJDRW-UHFFFAOYSA-N 0 1 381.542 3.316 20 0 GGADMN C[C@@H](NC(=O)NCc1cccnc1Oc1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000272687876 1434922622 /nfs/dbraw/zinc/92/26/22/1434922622.db2.gz BTMUYJLCWARCBR-OAHLLOKOSA-N 0 1 384.455 3.463 20 0 GGADMN Cc1ccc([C@H](N[C@H](C)CC[S@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272698267 1434923745 /nfs/dbraw/zinc/92/37/45/1434923745.db2.gz YFFLMGYJLDNMPO-BXEPQMNJSA-N 0 1 393.574 3.235 20 0 GGADMN COc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)n2)c(OC)c1 ZINC000272701590 1434924086 /nfs/dbraw/zinc/92/40/86/1434924086.db2.gz GMDWVAQGNJGWOC-CZUORRHYSA-N 0 1 388.468 3.269 20 0 GGADMN CC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000272728687 1434926494 /nfs/dbraw/zinc/92/64/94/1434926494.db2.gz IBMKSMSEHUSNHD-HUUCEWRRSA-N 0 1 389.521 3.307 20 0 GGADMN CC(=O)Nc1ccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000272728689 1434926505 /nfs/dbraw/zinc/92/65/05/1434926505.db2.gz IBMKSMSEHUSNHD-LSDHHAIUSA-N 0 1 389.521 3.307 20 0 GGADMN CC[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CCO1 ZINC000272736230 1434926931 /nfs/dbraw/zinc/92/69/31/1434926931.db2.gz MDDQYMVCHPDRPX-ZIFCJYIRSA-N 0 1 391.531 3.350 20 0 GGADMN C[C@@](O)(CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1 ZINC000272746697 1434927578 /nfs/dbraw/zinc/92/75/78/1434927578.db2.gz JCRATYSKGOLCNF-HSZRJFAPSA-N 0 1 390.487 3.476 20 0 GGADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000272748556 1434927889 /nfs/dbraw/zinc/92/78/89/1434927889.db2.gz MYUZVOFUKXJNHQ-SZNDQCEHSA-N 0 1 397.475 3.118 20 0 GGADMN C[C@H](NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1)C1=CC[N@@H+](C)CC1 ZINC000272764150 1434929268 /nfs/dbraw/zinc/92/92/68/1434929268.db2.gz PGZMDJKMPGLAIR-HNNXBMFYSA-N 0 1 384.455 3.463 20 0 GGADMN C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc([S@](C)=O)cc1 ZINC000272769145 1434929449 /nfs/dbraw/zinc/92/94/49/1434929449.db2.gz AQGBQZHRZGTYIN-SRGMZFCMSA-N 0 1 387.530 3.347 20 0 GGADMN C[C@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc([S@](C)=O)cc1 ZINC000272769142 1434929469 /nfs/dbraw/zinc/92/94/69/1434929469.db2.gz AQGBQZHRZGTYIN-NRRJATNASA-N 0 1 387.530 3.347 20 0 GGADMN CC(C)[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000272790076 1434931342 /nfs/dbraw/zinc/93/13/42/1434931342.db2.gz XNRANZLFBGMDJP-GDBMZVCRSA-N 0 1 377.357 3.435 20 0 GGADMN CC(C)[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000272790082 1434931358 /nfs/dbraw/zinc/93/13/58/1434931358.db2.gz XNRANZLFBGMDJP-HOCLYGCPSA-N 0 1 377.357 3.435 20 0 GGADMN C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272798611 1434931862 /nfs/dbraw/zinc/93/18/62/1434931862.db2.gz UPTIKXDGLSGMQJ-GCJKJVERSA-N 0 1 391.515 3.314 20 0 GGADMN O=C(c1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1)N1CCOCC1 ZINC000272801632 1434932051 /nfs/dbraw/zinc/93/20/51/1434932051.db2.gz ZWXDHBPLZYECIL-FQEVSTJZSA-N 0 1 384.451 3.302 20 0 GGADMN O=C(c1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1)N1CCOCC1 ZINC000272801633 1434932082 /nfs/dbraw/zinc/93/20/82/1434932082.db2.gz ZWXDHBPLZYECIL-HXUWFJFHSA-N 0 1 384.451 3.302 20 0 GGADMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NCc2ccc(OC(C)C)nc2)C1 ZINC000272811144 1434932894 /nfs/dbraw/zinc/93/28/94/1434932894.db2.gz AMGJWLVOPZBLEB-UHFFFAOYSA-N 0 1 392.496 3.010 20 0 GGADMN Cc1ccnc(OC2CCN(C(=O)c3ccc4c(c3)[nH]c(=S)[nH]c4=O)CC2)c1 ZINC000272825844 1434934042 /nfs/dbraw/zinc/93/40/42/1434934042.db2.gz KXVVORQRPAXJQM-UHFFFAOYSA-N 0 1 396.472 3.011 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(c3cc(C)[nH]n3)CC2)cc1F ZINC000272891653 1434939254 /nfs/dbraw/zinc/93/92/54/1434939254.db2.gz DVPZHUCHZCWYKS-HNNXBMFYSA-N 0 1 388.487 3.092 20 0 GGADMN COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(c3cc(C)n[nH]3)CC2)cc1F ZINC000272891653 1434939257 /nfs/dbraw/zinc/93/92/57/1434939257.db2.gz DVPZHUCHZCWYKS-HNNXBMFYSA-N 0 1 388.487 3.092 20 0 GGADMN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272902555 1434939879 /nfs/dbraw/zinc/93/98/79/1434939879.db2.gz IUZJEJNCHBWSFD-UWJYYQICSA-N 0 1 387.524 3.036 20 0 GGADMN C[C@H](NCC(=O)N(C)CCCOc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000272906836 1434940306 /nfs/dbraw/zinc/94/03/06/1434940306.db2.gz GZKYLDRTNIGWNY-SOKVYYICSA-N 0 1 388.533 3.002 20 0 GGADMN CC(=O)c1ccc(S(C)(=O)=O)c(N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)c1 ZINC000272911114 1434940372 /nfs/dbraw/zinc/94/03/72/1434940372.db2.gz OBEHHFNYSROIGQ-WMZOPIPTSA-N 0 1 392.565 3.384 20 0 GGADMN CN(C)Cc1ccsc1C(=O)NCCCOCCOCc1ccccc1 ZINC000272914743 1434940852 /nfs/dbraw/zinc/94/08/52/1434940852.db2.gz DNEVLHPIIBAHFV-UHFFFAOYSA-N 0 1 376.522 3.163 20 0 GGADMN COc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000272917870 1434941100 /nfs/dbraw/zinc/94/11/00/1434941100.db2.gz KALGSHSMNATQTN-INIZCTEOSA-N 0 1 378.472 3.306 20 0 GGADMN C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc([S@@](C)=O)cc1 ZINC000272921224 1434941239 /nfs/dbraw/zinc/94/12/39/1434941239.db2.gz IYFKXPNHQFPEQJ-FLFOAQQMSA-N 0 1 378.444 3.158 20 0 GGADMN C[C@H](CNC(=O)c1cccc(F)c1Sc1ccccc1)N1CCN(C)CC1 ZINC000272933972 1434942194 /nfs/dbraw/zinc/94/21/94/1434942194.db2.gz QSJMZOBSFOWENL-MRXNPFEDSA-N 0 1 387.524 3.343 20 0 GGADMN Cc1cc(C2CCN(Cc3nnc(C(=O)Nc4ccccc4)s3)CC2)[nH]n1 ZINC000272940700 1434942658 /nfs/dbraw/zinc/94/26/58/1434942658.db2.gz LBMXZDKJTAJKGJ-UHFFFAOYSA-N 0 1 382.493 3.202 20 0 GGADMN COc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ncn1 ZINC000272948048 1434943365 /nfs/dbraw/zinc/94/33/65/1434943365.db2.gz JOBQXPMUCLPOJS-AWEZNQCLSA-N 0 1 385.472 3.063 20 0 GGADMN CCCOc1cccc(CNC(=O)CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000272951636 1434943452 /nfs/dbraw/zinc/94/34/52/1434943452.db2.gz MNWGWUVGWLNEOX-JWIGPWBQSA-N 0 1 388.533 3.180 20 0 GGADMN Cc1cc(C2CCN([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)[nH]n1 ZINC000272958838 1434944291 /nfs/dbraw/zinc/94/42/91/1434944291.db2.gz NGMWTEWEMUMCKS-MRXNPFEDSA-N 0 1 395.507 3.052 20 0 GGADMN Cc1cc(C2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)CC2)[nH]n1 ZINC000272965848 1434944719 /nfs/dbraw/zinc/94/47/19/1434944719.db2.gz OHAOVVFFHSHZFX-OAHLLOKOSA-N 0 1 384.480 3.086 20 0 GGADMN COc1ccc([C@@H](C)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1OC ZINC000272989369 1434947139 /nfs/dbraw/zinc/94/71/39/1434947139.db2.gz KNKXAIXRACZJAA-MLGOLLRUSA-N 0 1 396.409 3.470 20 0 GGADMN C[C@H](NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc([S@@](C)=O)cc1 ZINC000273032784 1434952850 /nfs/dbraw/zinc/95/28/50/1434952850.db2.gz UUXFWCSLBMFWEJ-YBOJIHHZSA-N 0 1 396.415 3.035 20 0 GGADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273034401 1434953033 /nfs/dbraw/zinc/95/30/33/1434953033.db2.gz GCVANFHWYIEAJJ-CHWSQXEVSA-N 0 1 382.390 3.049 20 0 GGADMN COc1ccc(C[N@H+]2CCCN(C(=O)NCC[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000273099672 1434960949 /nfs/dbraw/zinc/96/09/49/1434960949.db2.gz OJCNLEVGZRKZFY-OALUTQOASA-N 0 1 389.540 3.118 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)NCC[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000273099672 1434960955 /nfs/dbraw/zinc/96/09/55/1434960955.db2.gz OJCNLEVGZRKZFY-OALUTQOASA-N 0 1 389.540 3.118 20 0 GGADMN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000273179868 1434969572 /nfs/dbraw/zinc/96/95/72/1434969572.db2.gz FZWJBWYCYXGRAS-OAHLLOKOSA-N 0 1 391.516 3.124 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(N2CCCCC2)nc1 ZINC000273202313 1434971897 /nfs/dbraw/zinc/97/18/97/1434971897.db2.gz RRMRBPNUCQUCGD-QGZVFWFLSA-N 0 1 383.492 3.475 20 0 GGADMN CCCCN(C)C(=O)C1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1 ZINC000273203174 1434972257 /nfs/dbraw/zinc/97/22/57/1434972257.db2.gz KGIZULSPUIDANH-UHFFFAOYSA-N 0 1 383.492 3.360 20 0 GGADMN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000273234460 1434974255 /nfs/dbraw/zinc/97/42/55/1434974255.db2.gz VNQDBIHBNNYYND-CYBMUJFWSA-N 0 1 378.480 3.321 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000273238734 1434974568 /nfs/dbraw/zinc/97/45/68/1434974568.db2.gz TVUWOHKERQMMHF-IBGZPJMESA-N 0 1 384.505 3.341 20 0 GGADMN Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000273247986 1434975532 /nfs/dbraw/zinc/97/55/32/1434975532.db2.gz GOZRHBODNGCOER-NSHDSACASA-N 0 1 398.492 3.176 20 0 GGADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000273252018 1434975782 /nfs/dbraw/zinc/97/57/82/1434975782.db2.gz HIGXRYDOTGUSLH-MAUKXSAKSA-N 0 1 394.431 3.229 20 0 GGADMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)[C@@H]1CCCCS1(=O)=O ZINC000273284511 1434978010 /nfs/dbraw/zinc/97/80/10/1434978010.db2.gz WZOOZUCSWVEDLH-KRWDZBQOSA-N 0 1 396.472 3.045 20 0 GGADMN CCc1ccc([C@H](N[C@@H](C)C[S@@](C)=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273293204 1434978612 /nfs/dbraw/zinc/97/86/12/1434978612.db2.gz SPWKELFLSHKSHQ-PCKXHRCSSA-N 0 1 393.574 3.099 20 0 GGADMN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)C1 ZINC000273294859 1434978748 /nfs/dbraw/zinc/97/87/48/1434978748.db2.gz YSQUXQMPQHNXQS-ZDUSSCGKSA-N 0 1 397.504 3.169 20 0 GGADMN O=C(CCCCc1cn[nH]n1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000273293274 1434978814 /nfs/dbraw/zinc/97/88/14/1434978814.db2.gz YJPFHHFKEZIBTQ-GOSISDBHSA-N 0 1 384.505 3.341 20 0 GGADMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(N2CCOC2=O)cc1 ZINC000273313879 1434979994 /nfs/dbraw/zinc/97/99/94/1434979994.db2.gz XNCXADFZFJVALH-OAHLLOKOSA-N 0 1 384.432 3.046 20 0 GGADMN Cc1cccc([C@@H]2CCN(C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)C2)c1 ZINC000273321534 1434980612 /nfs/dbraw/zinc/98/06/12/1434980612.db2.gz XCOKTKAZTAWJGB-MRXNPFEDSA-N 0 1 379.485 3.160 20 0 GGADMN O=C(c1cc(F)c(F)c([O-])c1F)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000273333348 1434981508 /nfs/dbraw/zinc/98/15/08/1434981508.db2.gz TVGQDTYMVYTGJJ-UHFFFAOYSA-N 0 1 390.405 3.472 20 0 GGADMN O=C(NCCc1ccccn1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273339579 1434981779 /nfs/dbraw/zinc/98/17/79/1434981779.db2.gz MHLISVDMWBBLAF-KRWDZBQOSA-N 0 1 382.512 3.379 20 0 GGADMN CCOCCOCc1cccc(CNC(=O)CN[C@@H](C)c2cccs2)c1 ZINC000273336214 1434981807 /nfs/dbraw/zinc/98/18/07/1434981807.db2.gz VKEFDTIJCMOHJE-INIZCTEOSA-N 0 1 376.522 3.268 20 0 GGADMN CN(C)C1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)C1 ZINC000273342663 1434981995 /nfs/dbraw/zinc/98/19/95/1434981995.db2.gz QZNLEDHJPJJIOX-UHFFFAOYSA-N 0 1 396.369 3.328 20 0 GGADMN COc1ccc([C@H](OC)[C@@H](C)N[C@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000273351838 1434982523 /nfs/dbraw/zinc/98/25/23/1434982523.db2.gz BYGORCZSFDXRNK-JXXFODFXSA-N 0 1 377.506 3.223 20 0 GGADMN COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000273351843 1434982614 /nfs/dbraw/zinc/98/26/14/1434982614.db2.gz BYGORCZSFDXRNK-TWOQFEAHSA-N 0 1 377.506 3.223 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000273374668 1434984229 /nfs/dbraw/zinc/98/42/29/1434984229.db2.gz BDYBVZSWNSZTSU-MRXNPFEDSA-N 0 1 391.479 3.009 20 0 GGADMN COC(=O)c1coc(CNCCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000273393319 1434985936 /nfs/dbraw/zinc/98/59/36/1434985936.db2.gz KHHTVIHTVCNGMA-UHFFFAOYSA-N 0 1 380.828 3.155 20 0 GGADMN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000273416846 1434987363 /nfs/dbraw/zinc/98/73/63/1434987363.db2.gz FREWPAPTXKKKDA-YOEHRIQHSA-N 0 1 399.447 3.413 20 0 GGADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccccn3)c2C1 ZINC000273419202 1434987670 /nfs/dbraw/zinc/98/76/70/1434987670.db2.gz JKRDHSGPGMDZBC-INIZCTEOSA-N 0 1 380.492 3.039 20 0 GGADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N[C@H](C)c3cnn(C)c3)ccc2c1 ZINC000273424314 1434988109 /nfs/dbraw/zinc/98/81/09/1434988109.db2.gz WETBJNJUHFCXLJ-HZPDHXFCSA-N 0 1 380.492 3.280 20 0 GGADMN CS(=O)(=O)c1cccc(Cl)c1CNC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000273479056 1434991218 /nfs/dbraw/zinc/99/12/18/1434991218.db2.gz RZAOFIQKPKLGHZ-CQSZACIVSA-N 0 1 396.915 3.499 20 0 GGADMN COc1cccc(COC[C@@H](O)CN[C@H](COCC(C)C)c2ccco2)c1 ZINC000273501867 1434992888 /nfs/dbraw/zinc/99/28/88/1434992888.db2.gz MPPCNWLTVZRGGU-AZUAARDMSA-N 0 1 377.481 3.169 20 0 GGADMN CN(Cc1cn(Cc2cccnc2)nn1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273510638 1434993506 /nfs/dbraw/zinc/99/35/06/1434993506.db2.gz QVRDYUAINIKFJW-RTWAWAEBSA-N 0 1 381.455 3.213 20 0 GGADMN CN(Cc1cn(Cc2cccnc2)nn1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273510634 1434993619 /nfs/dbraw/zinc/99/36/19/1434993619.db2.gz QVRDYUAINIKFJW-NHCUHLMSSA-N 0 1 381.455 3.213 20 0 GGADMN C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273527557 1434994794 /nfs/dbraw/zinc/99/47/94/1434994794.db2.gz YJFRGRDGNGEHAW-GXTWGEPZSA-N 0 1 378.394 3.450 20 0 GGADMN CN(Cc1nc2ccccc2c(=O)n1C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273552015 1434996260 /nfs/dbraw/zinc/99/62/60/1434996260.db2.gz VLDIUUMGOQUKKN-YLJYHZDGSA-N 0 1 381.451 3.425 20 0 GGADMN CN(Cc1nc2ccccc2c(=O)n1C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273551993 1434996398 /nfs/dbraw/zinc/99/63/98/1434996398.db2.gz VLDIUUMGOQUKKN-FXAWDEMLSA-N 0 1 381.451 3.425 20 0 GGADMN O=C(Nc1nc2ccccn2n1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000273558948 1434996776 /nfs/dbraw/zinc/99/67/76/1434996776.db2.gz DUXYNODPSXVBIF-HNNXBMFYSA-N 0 1 394.483 3.307 20 0 GGADMN Cc1cc(C2CCN(C(=O)CCC(=O)CCC(=O)c3cccs3)CC2)n[nH]1 ZINC000273572859 1434997599 /nfs/dbraw/zinc/99/75/99/1434997599.db2.gz DKFKCRWWBVWDIW-UHFFFAOYSA-N 0 1 387.505 3.498 20 0 GGADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000273576834 1434997944 /nfs/dbraw/zinc/99/79/44/1434997944.db2.gz LYPWTSLXMFUIDH-CVEARBPZSA-N 0 1 386.517 3.027 20 0 GGADMN COc1ccc(C(=O)C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1Cl ZINC000273580191 1434998189 /nfs/dbraw/zinc/99/81/89/1434998189.db2.gz FOAIYOCSDYQEES-UHFFFAOYSA-N 0 1 390.867 3.247 20 0 GGADMN CCc1nc(COc2ccc(C(=O)N3CCC(c4cc(C)[nH]n4)CC3)cc2)no1 ZINC000273584760 1434998386 /nfs/dbraw/zinc/99/83/86/1434998386.db2.gz GHQIZFXTGGSXHE-UHFFFAOYSA-N 0 1 395.463 3.262 20 0 GGADMN Cc1cc(C2CCN(C(=O)Cc3csc(NC(=O)C(C)(C)C)n3)CC2)n[nH]1 ZINC000273616131 1434999998 /nfs/dbraw/zinc/99/99/98/1434999998.db2.gz NHMSAAKTRZOAQF-UHFFFAOYSA-N 0 1 389.525 3.108 20 0 GGADMN COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1OC(C)C ZINC000273642527 1435001961 /nfs/dbraw/zinc/00/19/61/1435001961.db2.gz DCSSWQNYJJJVRV-UHFFFAOYSA-N 0 1 399.472 3.270 20 0 GGADMN CS(=O)(=O)Nc1cccc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)c1 ZINC000273645133 1435002207 /nfs/dbraw/zinc/00/22/07/1435002207.db2.gz BVVVTDMQTAQYMX-GOSISDBHSA-N 0 1 398.488 3.445 20 0 GGADMN CC(C)N(CCS(C)(=O)=O)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273687432 1435005244 /nfs/dbraw/zinc/00/52/44/1435005244.db2.gz GQHUYZRWPDXVHV-UHFFFAOYSA-N 0 1 391.518 3.187 20 0 GGADMN COc1ccc(-c2nc(-c3ccc(OCC[NH+](C)C)c(OC)c3)no2)c([O-])c1 ZINC000273791700 1435014759 /nfs/dbraw/zinc/01/47/59/1435014759.db2.gz SSLIMLMPWOSKPL-UHFFFAOYSA-N 0 1 385.420 3.067 20 0 GGADMN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@]12CCCO2 ZINC000273816748 1435017719 /nfs/dbraw/zinc/01/77/19/1435017719.db2.gz JTXMEKDNLZNUSF-HBUWYVDXSA-N 0 1 380.395 3.349 20 0 GGADMN CC(C)c1nc(Cc2noc(CCNC(=O)c3n[nH]c4ccccc43)n2)cs1 ZINC000273823392 1435018432 /nfs/dbraw/zinc/01/84/32/1435018432.db2.gz JTMBWRLFKNNYTP-UHFFFAOYSA-N 0 1 396.476 3.089 20 0 GGADMN Cc1nc(C2CC2)oc1-c1nc(-c2ccccc2CN2CCC[C@@H]2C(N)=O)no1 ZINC000273825093 1435018615 /nfs/dbraw/zinc/01/86/15/1435018615.db2.gz JHCAGUZQUJHWGL-MRXNPFEDSA-N 0 1 393.447 3.027 20 0 GGADMN c1ccc(-c2nnc(Cc3noc(CCc4nnc(C5CCCC5)o4)n3)[nH]2)cc1 ZINC000273838587 1435020131 /nfs/dbraw/zinc/02/01/31/1435020131.db2.gz KNDYKZKZKXCSLU-UHFFFAOYSA-N 0 1 391.435 3.271 20 0 GGADMN NC(=O)CCC1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC000273876298 1435024398 /nfs/dbraw/zinc/02/43/98/1435024398.db2.gz QCDYWLDIBLVXJX-UHFFFAOYSA-N 0 1 382.489 3.409 20 0 GGADMN Cc1c(-c2nc(-c3ccc4[nH]cnc4c3)no2)cnn1CCO[C@@H]1CCCCO1 ZINC000273903979 1435027160 /nfs/dbraw/zinc/02/71/60/1435027160.db2.gz MJJJOORWASJKCI-GOSISDBHSA-N 0 1 394.435 3.328 20 0 GGADMN CO[C@H](c1noc(-c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1)c1ccc(F)cc1 ZINC000273932269 1435029847 /nfs/dbraw/zinc/02/98/47/1435029847.db2.gz IREKBEXIBUGFFY-KRWDZBQOSA-N 0 1 382.399 3.352 20 0 GGADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCC[C@H](Cn2ccnn2)C1 ZINC000273946645 1435030974 /nfs/dbraw/zinc/03/09/74/1435030974.db2.gz XVZJTDTWJRBPRU-AWEZNQCLSA-N 0 1 392.488 3.435 20 0 GGADMN Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000273962791 1435032421 /nfs/dbraw/zinc/03/24/21/1435032421.db2.gz ZMBDTVGVYXMMNL-CQSZACIVSA-N 0 1 378.461 3.397 20 0 GGADMN COc1ccc(-c2nc(-c3ccccc3CN3CCC[C@@H]3C(N)=O)no2)cc1F ZINC000274010470 1435036806 /nfs/dbraw/zinc/03/68/06/1435036806.db2.gz ZEBFLOQOULJQIB-QGZVFWFLSA-N 0 1 396.422 3.001 20 0 GGADMN CCOc1ccccc1-c1nc(-c2ccccc2CN2CCC[C@H]2C(N)=O)no1 ZINC000274018161 1435037575 /nfs/dbraw/zinc/03/75/75/1435037575.db2.gz ZTHKCGHPRHAVHL-SFHVURJKSA-N 0 1 392.459 3.252 20 0 GGADMN CO[C@@H](C)CCc1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000274061656 1435040557 /nfs/dbraw/zinc/04/05/57/1435040557.db2.gz DYKUQJCZXNGJHQ-AWEZNQCLSA-N 0 1 378.904 3.499 20 0 GGADMN COc1cc(-c2nc([C@H]3CCCCS3)no2)cc(NS(C)(=O)=O)c1OC ZINC000274082444 1435042030 /nfs/dbraw/zinc/04/20/30/1435042030.db2.gz RLPUQCQRGHCMLT-CYBMUJFWSA-N 0 1 399.494 3.084 20 0 GGADMN Cc1[nH]ncc1CNC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000274107264 1435044260 /nfs/dbraw/zinc/04/42/60/1435044260.db2.gz KXKIUIUBCFWIIQ-UHFFFAOYSA-N 0 1 390.509 3.287 20 0 GGADMN Cc1nnc([C@H](C)NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)s1 ZINC000274152645 1435047419 /nfs/dbraw/zinc/04/74/19/1435047419.db2.gz GDBKLSLROWHXFP-LBPRGKRZSA-N 0 1 397.508 3.282 20 0 GGADMN COCCCOCc1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000274177076 1435049002 /nfs/dbraw/zinc/04/90/02/1435049002.db2.gz PIGFXUCABXKBGO-UHFFFAOYSA-N 0 1 394.903 3.085 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000274180955 1435049199 /nfs/dbraw/zinc/04/91/99/1435049199.db2.gz KEYPLVMYEBTOEG-MRXNPFEDSA-N 0 1 391.493 3.114 20 0 GGADMN O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274204848 1435051292 /nfs/dbraw/zinc/05/12/92/1435051292.db2.gz LVFKHAWDLBCBJC-OALUTQOASA-N 0 1 395.507 3.318 20 0 GGADMN CC(C)O[C@@H]1C[C@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000274211071 1435051709 /nfs/dbraw/zinc/05/17/09/1435051709.db2.gz KUWFAXKNFCWABN-LSTHTHJFSA-N 0 1 388.556 3.498 20 0 GGADMN CC(C)O[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000274262212 1435055712 /nfs/dbraw/zinc/05/57/12/1435055712.db2.gz KOZWXSOWJVTHHU-KBPBESRZSA-N 0 1 394.422 3.147 20 0 GGADMN CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1(C)C ZINC000274262219 1435055780 /nfs/dbraw/zinc/05/57/80/1435055780.db2.gz KOZWXSOWJVTHHU-ZIAGYGMSSA-N 0 1 394.422 3.147 20 0 GGADMN COc1ccc(-c2cc(-c3nc(CC(=O)OC(C)(C)C)no3)[nH]n2)cc1OC ZINC000274262744 1435055925 /nfs/dbraw/zinc/05/59/25/1435055925.db2.gz YSUBOTKORUQBQA-UHFFFAOYSA-N 0 1 386.408 3.028 20 0 GGADMN Cc1nnc([C@H](C)N[C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)s1 ZINC000274267956 1435056315 /nfs/dbraw/zinc/05/63/15/1435056315.db2.gz WFQXLAORTOMMNJ-AEGPPILISA-N 0 1 384.505 3.495 20 0 GGADMN CN(C)Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000274289044 1435058317 /nfs/dbraw/zinc/05/83/17/1435058317.db2.gz NBWIRGWIJBYQCO-UHFFFAOYSA-N 0 1 379.460 3.235 20 0 GGADMN CC(C)CN(C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2)C1CCN(C)CC1 ZINC000274294592 1435058750 /nfs/dbraw/zinc/05/87/50/1435058750.db2.gz POUPAEKFINBKNA-UHFFFAOYSA-N 0 1 399.535 3.113 20 0 GGADMN COC(=O)CCN(Cc1cccc(NC(=O)OC(C)(C)C)c1)CC(OC)OC ZINC000274299634 1435059187 /nfs/dbraw/zinc/05/91/87/1435059187.db2.gz JCVAFMGFBYOPRI-UHFFFAOYSA-N 0 1 396.484 3.018 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCc2cc(C(=O)OC)sc2C)cc1 ZINC000274305491 1435059785 /nfs/dbraw/zinc/05/97/85/1435059785.db2.gz ARUSEXAQNURWMO-LBPRGKRZSA-N 0 1 377.462 3.246 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C(C)=O)cc1 ZINC000274306638 1435059869 /nfs/dbraw/zinc/05/98/69/1435059869.db2.gz BDFCJQABYFCMBU-LSDHHAIUSA-N 0 1 398.459 3.119 20 0 GGADMN CC(=O)c1ccc(O)c(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000274320913 1435061573 /nfs/dbraw/zinc/06/15/73/1435061573.db2.gz APOWMOMTTPDOHD-UHFFFAOYSA-N 0 1 383.400 3.358 20 0 GGADMN O=C(CCCCc1cn[nH]n1)Nc1nc2ccccc2n1CCc1ccccn1 ZINC000274334471 1435062639 /nfs/dbraw/zinc/06/26/39/1435062639.db2.gz BKZNYYVAOCLQOH-UHFFFAOYSA-N 0 1 389.463 3.144 20 0 GGADMN Cc1ccc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c(O)c1 ZINC000274360691 1435065113 /nfs/dbraw/zinc/06/51/13/1435065113.db2.gz WGAVTJQAMRDRRB-CYBMUJFWSA-N 0 1 381.425 3.056 20 0 GGADMN OCC[C@H](NCc1cccc(CN[C@@H](CCO)c2ccco2)c1)c1ccco1 ZINC000274368892 1435065750 /nfs/dbraw/zinc/06/57/50/1435065750.db2.gz AJDLCJZOXLPDNC-PMACEKPBSA-N 0 1 384.476 3.299 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000274377203 1435066309 /nfs/dbraw/zinc/06/63/09/1435066309.db2.gz FRSMKWDHQOBABV-UHFFFAOYSA-N 0 1 376.363 3.142 20 0 GGADMN COCCCOc1cccc(CNCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000274414187 1435069053 /nfs/dbraw/zinc/06/90/53/1435069053.db2.gz FEKXLKWDDYCAMZ-UHFFFAOYSA-N 0 1 382.464 3.089 20 0 GGADMN COCCCOc1cccc(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c1 ZINC000274414187 1435069056 /nfs/dbraw/zinc/06/90/56/1435069056.db2.gz FEKXLKWDDYCAMZ-UHFFFAOYSA-N 0 1 382.464 3.089 20 0 GGADMN COC(=O)COc1ccc([C@H](C)NCc2cc(F)cc3c2OCOC3)cc1 ZINC000274414819 1435069130 /nfs/dbraw/zinc/06/91/30/1435069130.db2.gz COCYVBLUIOWAOS-ZDUSSCGKSA-N 0 1 375.396 3.095 20 0 GGADMN COC(=O)COc1ccc([C@H](C)N[C@H](C)c2cc(C)c(C(=O)OC)o2)cc1 ZINC000274417740 1435069377 /nfs/dbraw/zinc/06/93/77/1435069377.db2.gz DFEITLLBNBTPCS-UONOGXRCSA-N 0 1 375.421 3.338 20 0 GGADMN CC(C)[C@@H](N[C@@H](C)CCN1C(=O)c2ccccc2C1=O)c1nc(C2CC2)no1 ZINC000274421301 1435069635 /nfs/dbraw/zinc/06/96/35/1435069635.db2.gz YECUBAHMQYCQLL-SUMWQHHRSA-N 0 1 382.464 3.309 20 0 GGADMN CCn1nc(CNc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2ccccc21 ZINC000274451885 1435072005 /nfs/dbraw/zinc/07/20/05/1435072005.db2.gz QWGGDFBKVHCXGV-OAQYLSRUSA-N 0 1 377.492 3.118 20 0 GGADMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)CCO2 ZINC000274452296 1435072026 /nfs/dbraw/zinc/07/20/26/1435072026.db2.gz ZALPSFOOBNVYLQ-UGSOOPFHSA-N 0 1 376.478 3.241 20 0 GGADMN CCc1nnc([C@H](C)NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)[nH]1 ZINC000274451260 1435072089 /nfs/dbraw/zinc/07/20/89/1435072089.db2.gz SJUKMRSRHMIMGO-FZMZJTMJSA-N 0 1 398.433 3.049 20 0 GGADMN Cc1nnc2ccc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)cn12 ZINC000274481864 1435073923 /nfs/dbraw/zinc/07/39/23/1435073923.db2.gz RFGRLQLIQLWPDA-MRXNPFEDSA-N 0 1 391.397 3.089 20 0 GGADMN C[C@H](CN(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1 ZINC000274487928 1435074344 /nfs/dbraw/zinc/07/43/44/1435074344.db2.gz CRSRJKYYRHEDNP-MRXNPFEDSA-N 0 1 379.464 3.329 20 0 GGADMN CCc1oc(C(=O)OC)cc1CN[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000274508149 1435075603 /nfs/dbraw/zinc/07/56/03/1435075603.db2.gz WJQHIDMCIGLJCE-CYBMUJFWSA-N 0 1 375.421 3.031 20 0 GGADMN CN(C)[C@H](CNC(=O)c1cnn(C)c1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000274528652 1435076765 /nfs/dbraw/zinc/07/67/65/1435076765.db2.gz ZQLKNHSQPMLIJU-MRXNPFEDSA-N 0 1 380.414 3.349 20 0 GGADMN CN(C)[C@@H](CNC(=O)c1cnn(C)c1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000274528651 1435076799 /nfs/dbraw/zinc/07/67/99/1435076799.db2.gz ZQLKNHSQPMLIJU-INIZCTEOSA-N 0 1 380.414 3.349 20 0 GGADMN CCc1c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cnn1-c1ccccc1OC ZINC000274533166 1435076945 /nfs/dbraw/zinc/07/69/45/1435076945.db2.gz JEZULXDWRHSASB-ZDUSSCGKSA-N 0 1 382.468 3.176 20 0 GGADMN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000274538303 1435077419 /nfs/dbraw/zinc/07/74/19/1435077419.db2.gz KHJWZGLSFKBASM-HXUWFJFHSA-N 0 1 395.503 3.193 20 0 GGADMN COc1ccc(S[C@H](C)C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC000274539733 1435077558 /nfs/dbraw/zinc/07/75/58/1435077558.db2.gz DSGOTNPYQQIWKJ-CQSZACIVSA-N 0 1 398.488 3.189 20 0 GGADMN COCc1ccc([C@H]2CCCN2C[C@@H](O)COc2c(OC)cccc2OC)o1 ZINC000274539444 1435077587 /nfs/dbraw/zinc/07/75/87/1435077587.db2.gz ZWYMEBCADDPRSL-NVXWUHKLSA-N 0 1 391.464 3.020 20 0 GGADMN CN1CCO[C@H]([C@@H](NCc2cccc(-n3cncn3)c2)c2ccc(Cl)cc2)C1 ZINC000274551428 1435078096 /nfs/dbraw/zinc/07/80/96/1435078096.db2.gz DLUBPSSBANMWPF-SFTDATJTSA-N 0 1 397.910 3.082 20 0 GGADMN COc1ccccc1N(C(C)=O)c1nc(CN[C@@H](CCO)C(C)C)cs1 ZINC000274566239 1435078486 /nfs/dbraw/zinc/07/84/86/1435078486.db2.gz BEROKMJUIBGOPZ-INIZCTEOSA-N 0 1 377.510 3.333 20 0 GGADMN CCOc1c(OC)cc(CNCc2n[nH]c(COc3ccccc3)n2)cc1OC ZINC000274606574 1435080596 /nfs/dbraw/zinc/08/05/96/1435080596.db2.gz RSBBHHKLDSDJCB-UHFFFAOYSA-N 0 1 398.463 3.089 20 0 GGADMN c1cc(-c2nnc3ccc(NC4CCN(Cc5ccccn5)CC4)nn32)cs1 ZINC000274636308 1435082394 /nfs/dbraw/zinc/08/23/94/1435082394.db2.gz DKBKPGFXJMRSPE-UHFFFAOYSA-N 0 1 391.504 3.324 20 0 GGADMN O=c1[nH]c(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)nc2[nH]ncc21 ZINC000274665903 1435084209 /nfs/dbraw/zinc/08/42/09/1435084209.db2.gz KEFKWRVUPWYOBA-UHFFFAOYSA-N 0 1 393.369 3.238 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000274684245 1435085302 /nfs/dbraw/zinc/08/53/02/1435085302.db2.gz SGWIUWLKMOCRNQ-MRXNPFEDSA-N 0 1 395.438 3.222 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1CC2(CC2)c2ccccc21 ZINC000274685283 1435085555 /nfs/dbraw/zinc/08/55/55/1435085555.db2.gz SOZVVZAGCZKFCU-UHFFFAOYSA-N 0 1 375.432 3.145 20 0 GGADMN CC1(C)OCc2cc(CNCc3cccc(C(=O)N4CCOCC4)c3)ccc2O1 ZINC000274691351 1435085739 /nfs/dbraw/zinc/08/57/39/1435085739.db2.gz VBTNMABYBQGPQB-UHFFFAOYSA-N 0 1 396.487 3.094 20 0 GGADMN CCc1c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cnn1-c1ccc(OC)cc1 ZINC000274697539 1435086105 /nfs/dbraw/zinc/08/61/05/1435086105.db2.gz MVKUBXIQTYOSMG-CYBMUJFWSA-N 0 1 382.468 3.176 20 0 GGADMN CN(C)C(=O)C[C@@H]1CN(C(=O)c2c(O)cccc2F)c2ccc(Cl)cc21 ZINC000274707730 1435086764 /nfs/dbraw/zinc/08/67/64/1435086764.db2.gz SKYKGOWKMOKVGI-LLVKDONJSA-N 0 1 376.815 3.407 20 0 GGADMN CCN(C)[C@@H](C(=O)N1CCC(c2nnc3n2CCCC3)CC1)c1ccccc1 ZINC000274717691 1435087396 /nfs/dbraw/zinc/08/73/96/1435087396.db2.gz CUFUWNMPORMDGQ-HXUWFJFHSA-N 0 1 381.524 3.013 20 0 GGADMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(CO)ccc1C ZINC000274718515 1435087490 /nfs/dbraw/zinc/08/74/90/1435087490.db2.gz DKTYNVAUUDLGQY-UHFFFAOYSA-N 0 1 399.896 3.357 20 0 GGADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000274733197 1435088326 /nfs/dbraw/zinc/08/83/26/1435088326.db2.gz UOGCIHCSQYCWMB-QGZVFWFLSA-N 0 1 378.831 3.321 20 0 GGADMN C[C@@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000274762958 1435090506 /nfs/dbraw/zinc/09/05/06/1435090506.db2.gz KOXBZNFACTWMCW-GFCCVEGCSA-N 0 1 392.912 3.449 20 0 GGADMN CCN(C)C(=O)CN[C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000274766694 1435090908 /nfs/dbraw/zinc/09/09/08/1435090908.db2.gz GHIAQKKEXOKWHR-CYBMUJFWSA-N 0 1 391.537 3.188 20 0 GGADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274785508 1435092383 /nfs/dbraw/zinc/09/23/83/1435092383.db2.gz WRYYQRBRHMFJNH-UHFFFAOYSA-N 0 1 394.454 3.163 20 0 GGADMN CCCCOc1c(Cl)cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)cc1OCC ZINC000274805518 1435094160 /nfs/dbraw/zinc/09/41/60/1435094160.db2.gz UKHBBQAYQJKMKI-GFCCVEGCSA-N 0 1 395.891 3.306 20 0 GGADMN COC(=O)c1ccccc1-c1ccc(CN2CCC(NC(=O)C(C)C)CC2)o1 ZINC000274832933 1435096350 /nfs/dbraw/zinc/09/63/50/1435096350.db2.gz GAMHXHVRYBFBLQ-UHFFFAOYSA-N 0 1 384.476 3.470 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)n[nH]1 ZINC000274835276 1435096532 /nfs/dbraw/zinc/09/65/32/1435096532.db2.gz SHYRLOCZTDPBJB-JTQLQIEISA-N 0 1 393.373 3.454 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC[C@@]2(C)CCCO)N2CCCC2)c1 ZINC000274835304 1435096544 /nfs/dbraw/zinc/09/65/44/1435096544.db2.gz IQWDUWPSIBAHCC-UNMCSNQZSA-N 0 1 389.540 3.169 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)n[nH]1 ZINC000274835280 1435096577 /nfs/dbraw/zinc/09/65/77/1435096577.db2.gz SHYRLOCZTDPBJB-SNVBAGLBSA-N 0 1 393.373 3.454 20 0 GGADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)ccc1O ZINC000274835881 1435096726 /nfs/dbraw/zinc/09/67/26/1435096726.db2.gz VFXYBLYEOJLHHG-UHFFFAOYSA-N 0 1 378.450 3.155 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN3CCC(C)(O)CC3)cc2OC)o1 ZINC000274844351 1435097492 /nfs/dbraw/zinc/09/74/92/1435097492.db2.gz NOSQLVFOHBQBPJ-UHFFFAOYSA-N 0 1 389.448 3.001 20 0 GGADMN COC(=O)c1ccc(COc2ccc(CN[C@@H](C)c3cn[nH]c3)cc2OC)o1 ZINC000274852569 1435097854 /nfs/dbraw/zinc/09/78/54/1435097854.db2.gz PRKNSVIWTSDCNP-ZDUSSCGKSA-N 0 1 385.420 3.228 20 0 GGADMN COc1cc(CN2CCC(c3nnc4n3CCCC4)CC2)cc(OC)c1OC ZINC000274891445 1435101301 /nfs/dbraw/zinc/10/13/01/1435101301.db2.gz DRJHZXDDRWHZND-UHFFFAOYSA-N 0 1 386.496 3.020 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000274905160 1435102758 /nfs/dbraw/zinc/10/27/58/1435102758.db2.gz IGRUBCNWVDMSPT-GFCCVEGCSA-N 0 1 378.301 3.422 20 0 GGADMN Cc1cccc2c(=O)c(C(=O)N3CCC(c4nncn4C(C)C)CC3)c[nH]c12 ZINC000274927458 1435103810 /nfs/dbraw/zinc/10/38/10/1435103810.db2.gz KNANRRWPTKPCKS-UHFFFAOYSA-N 0 1 379.464 3.441 20 0 GGADMN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(Cl)cn1 ZINC000274927793 1435104050 /nfs/dbraw/zinc/10/40/50/1435104050.db2.gz QEVUTWOGQLFJRL-INIZCTEOSA-N 0 1 375.900 3.297 20 0 GGADMN Cc1ncc(CN2CCC(c3nnc4n3CCCC4)CC2)n1-c1ccccc1 ZINC000274944630 1435104848 /nfs/dbraw/zinc/10/48/48/1435104848.db2.gz RBBJFRBYBIZVDK-UHFFFAOYSA-N 0 1 376.508 3.488 20 0 GGADMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274952990 1435105495 /nfs/dbraw/zinc/10/54/95/1435105495.db2.gz HIJJVAVXCFOELR-UHFFFAOYSA-N 0 1 395.551 3.231 20 0 GGADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274967817 1435106609 /nfs/dbraw/zinc/10/66/09/1435106609.db2.gz JWHCIMKEQSZXBQ-SFHVURJKSA-N 0 1 395.551 3.231 20 0 GGADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274976515 1435107221 /nfs/dbraw/zinc/10/72/21/1435107221.db2.gz LSBNXZCSUFAVQY-MRXNPFEDSA-N 0 1 399.514 3.153 20 0 GGADMN CC(C)CNC(=O)c1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274992589 1435108334 /nfs/dbraw/zinc/10/83/34/1435108334.db2.gz OGRZJYSTQMEPSN-UHFFFAOYSA-N 0 1 395.551 3.380 20 0 GGADMN COc1ccccc1-c1nc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cs1 ZINC000275079998 1435114963 /nfs/dbraw/zinc/11/49/63/1435114963.db2.gz DFKMVWRGESMNBD-LBPRGKRZSA-N 0 1 399.438 3.319 20 0 GGADMN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000275107142 1435116622 /nfs/dbraw/zinc/11/66/22/1435116622.db2.gz XJZBPJOONURDFH-LBPRGKRZSA-N 0 1 386.761 3.214 20 0 GGADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275128213 1435117846 /nfs/dbraw/zinc/11/78/46/1435117846.db2.gz RMRZHUKDXJLZAW-GJZGRUSLSA-N 0 1 399.457 3.446 20 0 GGADMN CN1C(=O)CCc2cc(CN3CCC(Oc4cncc(Cl)n4)CC3)ccc21 ZINC000275129938 1435118072 /nfs/dbraw/zinc/11/80/72/1435118072.db2.gz KDHHFWLEDZMJHG-UHFFFAOYSA-N 0 1 386.883 3.082 20 0 GGADMN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccn(-c3ccncc3)n1)CC2 ZINC000275130967 1435118091 /nfs/dbraw/zinc/11/80/91/1435118091.db2.gz JQFMWSYRJNGWRG-IBGZPJMESA-N 0 1 389.459 3.133 20 0 GGADMN COc1cccc(-c2nc(CN3CC[C@H](C(=O)NCC(F)(F)F)C3)cs2)c1 ZINC000275135955 1435118491 /nfs/dbraw/zinc/11/84/91/1435118491.db2.gz TUUIYKSHRHGGLA-ZDUSSCGKSA-N 0 1 399.438 3.319 20 0 GGADMN COc1cccc(-c2nc(CN3CC[C@@H](C(=O)NCC(F)(F)F)C3)cs2)c1 ZINC000275135952 1435118513 /nfs/dbraw/zinc/11/85/13/1435118513.db2.gz TUUIYKSHRHGGLA-CYBMUJFWSA-N 0 1 399.438 3.319 20 0 GGADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275152784 1435119388 /nfs/dbraw/zinc/11/93/88/1435119388.db2.gz SXGAUKDOSQGJIM-UHFFFAOYSA-N 0 1 383.839 3.204 20 0 GGADMN CCc1nc([C@H](C)NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)n[nH]1 ZINC000275190591 1435121442 /nfs/dbraw/zinc/12/14/42/1435121442.db2.gz CVTMXSJYHUQZSO-JTQLQIEISA-N 0 1 391.838 3.287 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)n[nH]1 ZINC000275190592 1435121472 /nfs/dbraw/zinc/12/14/72/1435121472.db2.gz CVTMXSJYHUQZSO-SNVBAGLBSA-N 0 1 391.838 3.287 20 0 GGADMN COc1ccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c(OC)c1OC ZINC000275202961 1435122680 /nfs/dbraw/zinc/12/26/80/1435122680.db2.gz ATPIBFSYDQRASU-OAHLLOKOSA-N 0 1 399.491 3.183 20 0 GGADMN O=C([N-]OCCC(F)(F)F)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000275204834 1435122845 /nfs/dbraw/zinc/12/28/45/1435122845.db2.gz IRMBUDWVFFWEIT-AWEZNQCLSA-N 0 1 384.320 3.441 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@H](C)n3cnc4ccccc43)C1)CCCC2 ZINC000275209332 1435123046 /nfs/dbraw/zinc/12/30/46/1435123046.db2.gz BMAPVERDHAXKQF-DOTOQJQBSA-N 0 1 377.492 3.455 20 0 GGADMN CCc1nc2ccccc2n1CC(=O)N1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000275242370 1435125143 /nfs/dbraw/zinc/12/51/43/1435125143.db2.gz GHSPGZNTTPCELY-QGZVFWFLSA-N 0 1 391.519 3.456 20 0 GGADMN CCc1nc2ccccc2n1CC(=O)N1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000275242369 1435125155 /nfs/dbraw/zinc/12/51/55/1435125155.db2.gz GHSPGZNTTPCELY-KRWDZBQOSA-N 0 1 391.519 3.456 20 0 GGADMN CC(C)N(Cc1ccco1)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000275266928 1435127011 /nfs/dbraw/zinc/12/70/11/1435127011.db2.gz QAHNSZAVUCFOFR-UHFFFAOYSA-N 0 1 376.363 3.469 20 0 GGADMN CN(C)Cc1ccsc1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275274841 1435127783 /nfs/dbraw/zinc/12/77/83/1435127783.db2.gz QXYAAAAQPIBUAB-UHFFFAOYSA-N 0 1 380.460 3.212 20 0 GGADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000275284411 1435128423 /nfs/dbraw/zinc/12/84/23/1435128423.db2.gz KNUTWJKFZIHLEF-OAHLLOKOSA-N 0 1 397.523 3.119 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3csc([C@H]4CCCO4)n3)C1)CCCC2 ZINC000275289074 1435128995 /nfs/dbraw/zinc/12/89/95/1435128995.db2.gz LPUDEBAWENGRGL-KBXCAEBGSA-N 0 1 386.521 3.466 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@H]3Oc4ccccc4O[C@H]3C)C1)CCCC2 ZINC000275323262 1435131352 /nfs/dbraw/zinc/13/13/52/1435131352.db2.gz PBIULKZPGSFMNC-PXARDIRTSA-N 0 1 381.476 3.072 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)C1)CCCC2 ZINC000275323250 1435131362 /nfs/dbraw/zinc/13/13/62/1435131362.db2.gz PBIULKZPGSFMNC-CMPZQBNXSA-N 0 1 381.476 3.072 20 0 GGADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000275328803 1435131721 /nfs/dbraw/zinc/13/17/21/1435131721.db2.gz JWDDTTCSRZFXPX-NLWGTHIKSA-N 0 1 384.480 3.031 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000275342079 1435132687 /nfs/dbraw/zinc/13/26/87/1435132687.db2.gz SRIVHDHVRKMFHE-RXVVDRJESA-N 0 1 384.524 3.393 20 0 GGADMN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000275367253 1435134382 /nfs/dbraw/zinc/13/43/82/1435134382.db2.gz BTEMVVOANYOYAJ-GUYCJALGSA-N 0 1 393.413 3.336 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000275371721 1435134838 /nfs/dbraw/zinc/13/48/38/1435134838.db2.gz YCOSJEUJCVQCGC-KSSFIOAISA-N 0 1 397.306 3.402 20 0 GGADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1cccc2ccccc21 ZINC000275388127 1435135863 /nfs/dbraw/zinc/13/58/63/1435135863.db2.gz ZUWALOCAGFAPIC-UGKGYDQZSA-N 0 1 378.476 3.248 20 0 GGADMN CC[C@H]1CN(C(=O)NCc2nnc(SC)s2)CCN1Cc1ccccc1 ZINC000275394843 1435136213 /nfs/dbraw/zinc/13/62/13/1435136213.db2.gz HHEZYSGLISNWFR-HNNXBMFYSA-N 0 1 391.566 3.066 20 0 GGADMN COc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(Cl)c1OC ZINC000275393489 1435136218 /nfs/dbraw/zinc/13/62/18/1435136218.db2.gz ZTBOEJDRIGGLOC-KSSFIOAISA-N 0 1 379.888 3.327 20 0 GGADMN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000275416755 1435138053 /nfs/dbraw/zinc/13/80/53/1435138053.db2.gz BTIPMJPKCLIKMV-JSGCOSHPSA-N 0 1 390.394 3.369 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc(F)cc4nccnc43)C1)CCCC2 ZINC000275426120 1435138549 /nfs/dbraw/zinc/13/85/49/1435138549.db2.gz UFXMJVKJTKEHJQ-HNNXBMFYSA-N 0 1 379.439 3.240 20 0 GGADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)C1(C)C ZINC000275430840 1435138738 /nfs/dbraw/zinc/13/87/38/1435138738.db2.gz BDCYOTBRWCKKET-OXQOHEQNSA-N 0 1 377.485 3.362 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)CCn3cnc4ccccc43)C1)CCCC2 ZINC000275434956 1435138967 /nfs/dbraw/zinc/13/89/67/1435138967.db2.gz DAVZWAURJPNSOP-KRWDZBQOSA-N 0 1 377.492 3.284 20 0 GGADMN COc1cc(-c2nnc(CN[C@@H]3CC(C)(C)OC3(C)C)o2)cc(OC)c1OC ZINC000275454425 1435140269 /nfs/dbraw/zinc/14/02/69/1435140269.db2.gz LPAKPAKOOUSQLW-OAHLLOKOSA-N 0 1 391.468 3.198 20 0 GGADMN COc1cc(-c2nnc(CN[C@H]3CC(C)(C)OC3(C)C)o2)cc(OC)c1OC ZINC000275454423 1435140381 /nfs/dbraw/zinc/14/03/81/1435140381.db2.gz LPAKPAKOOUSQLW-HNNXBMFYSA-N 0 1 391.468 3.198 20 0 GGADMN CN(CC1(c2ccccc2)CC1)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000275470168 1435141624 /nfs/dbraw/zinc/14/16/24/1435141624.db2.gz BEEBSMLVULOCMX-UHFFFAOYSA-N 0 1 391.475 3.257 20 0 GGADMN C[C@@H](NCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(F)F ZINC000275481816 1435142489 /nfs/dbraw/zinc/14/24/89/1435142489.db2.gz QPPGCLPNYGNIQD-CYBMUJFWSA-N 0 1 383.402 3.492 20 0 GGADMN CC(=O)Nc1ccc(C)c(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000275522708 1435145352 /nfs/dbraw/zinc/14/53/52/1435145352.db2.gz QHRNIYAPDXFAKZ-GOSISDBHSA-N 0 1 380.492 3.424 20 0 GGADMN CC(C)c1nnc([C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CCO2)o1 ZINC000275540458 1435146850 /nfs/dbraw/zinc/14/68/50/1435146850.db2.gz ZNDJGGPODXSFEB-MOPGFXCFSA-N 0 1 398.507 3.148 20 0 GGADMN O=C(CN(CCO)C1CCOCC1)Nc1ccccc1Sc1ccccc1 ZINC000275549295 1435147392 /nfs/dbraw/zinc/14/73/92/1435147392.db2.gz MRDQNIBTLLTTIY-UHFFFAOYSA-N 0 1 386.517 3.250 20 0 GGADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000275552024 1435147604 /nfs/dbraw/zinc/14/76/04/1435147604.db2.gz BUIWRCMIFXMSLB-MRXNPFEDSA-N 0 1 384.480 3.183 20 0 GGADMN C[C@@H]1CN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCN1CC(C)(C)O ZINC000275565671 1435148798 /nfs/dbraw/zinc/14/87/98/1435148798.db2.gz OFXQBRMZOPRXQG-GOSISDBHSA-N 0 1 381.520 3.069 20 0 GGADMN NC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1N1CCCCC1 ZINC000275576871 1435150000 /nfs/dbraw/zinc/15/00/00/1435150000.db2.gz PWYDNYYMIUPEHS-UHFFFAOYSA-N 0 1 395.488 3.480 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)CSc3nc(C)cc(C)n3)C1)CCCC2 ZINC000275592847 1435151244 /nfs/dbraw/zinc/15/12/44/1435151244.db2.gz JUAKUYUZCAITSO-MRXNPFEDSA-N 0 1 385.537 3.043 20 0 GGADMN O=C(NC1CC1)c1cccc(CNCc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000275619339 1435153262 /nfs/dbraw/zinc/15/32/62/1435153262.db2.gz RVDZSHMBHFHVDJ-UHFFFAOYSA-N 0 1 378.451 3.253 20 0 GGADMN COc1cccc(C=C2CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)CC2)c1 ZINC000275625712 1435153979 /nfs/dbraw/zinc/15/39/79/1435153979.db2.gz IZTIGCPXEYTUIU-UHFFFAOYSA-N 0 1 377.448 3.138 20 0 GGADMN Fc1ccc(Cn2cc(CNCc3ccnc(OC4CCOCC4)c3)cn2)cc1 ZINC000275637106 1435155208 /nfs/dbraw/zinc/15/52/08/1435155208.db2.gz UPRYAVNMDUZFBL-UHFFFAOYSA-N 0 1 396.466 3.313 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(N4CCCC4)nc3)C1)CCCC2 ZINC000275654143 1435156759 /nfs/dbraw/zinc/15/67/59/1435156759.db2.gz NMDACOFVDZGHBS-GOSISDBHSA-N 0 1 379.508 3.153 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cccc(C[S@@](C)=O)c3)C1)CCCC2 ZINC000275798232 1435170570 /nfs/dbraw/zinc/17/05/70/1435170570.db2.gz XMHKLBYSCCRARB-DNOBIOAJSA-N 0 1 385.533 3.036 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cccc(C[S@@](C)=O)c3)C1)CCCC2 ZINC000275798239 1435170628 /nfs/dbraw/zinc/17/06/28/1435170628.db2.gz XMHKLBYSCCRARB-XRHLQHRESA-N 0 1 385.533 3.036 20 0 GGADMN CCOC(=O)COc1ccc(CCN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000275813978 1435171940 /nfs/dbraw/zinc/17/19/40/1435171940.db2.gz FLMIWQJEFNGINU-OAQYLSRUSA-N 0 1 397.450 3.412 20 0 GGADMN Cn1cc(-c2[nH]ncc2C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cn1 ZINC000275947542 1435181968 /nfs/dbraw/zinc/18/19/68/1435181968.db2.gz KBMISFOIEJOQAE-HNNXBMFYSA-N 0 1 377.370 3.104 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H]4CCO[C@@H]4c4cnn(C)c4)C3)[nH]c2c1 ZINC000275970450 1435183156 /nfs/dbraw/zinc/18/31/56/1435183156.db2.gz MLOZWMZEPNQJOC-RIFZZMRRSA-N 0 1 393.491 3.089 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4CCO[C@@H]4c4cnn(C)c4)C3)[nH]c2c1 ZINC000275970443 1435183186 /nfs/dbraw/zinc/18/31/86/1435183186.db2.gz MLOZWMZEPNQJOC-OXFYSEKESA-N 0 1 393.491 3.089 20 0 GGADMN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000275998736 1435184674 /nfs/dbraw/zinc/18/46/74/1435184674.db2.gz RJVBRAHXZZKSSW-LLVKDONJSA-N 0 1 377.370 3.190 20 0 GGADMN COc1ccc(NC(=O)NCCc2nc(C)n[nH]2)c(OCc2ccccc2)c1 ZINC000276011090 1435185500 /nfs/dbraw/zinc/18/55/00/1435185500.db2.gz ITWJIHTULCVWTD-UHFFFAOYSA-N 0 1 381.436 3.065 20 0 GGADMN CC[C@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000276048845 1435187655 /nfs/dbraw/zinc/18/76/55/1435187655.db2.gz XSZGXSGGBIDGPA-GOSISDBHSA-N 0 1 391.475 3.076 20 0 GGADMN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000276048846 1435187725 /nfs/dbraw/zinc/18/77/25/1435187725.db2.gz XSZGXSGGBIDGPA-SFHVURJKSA-N 0 1 391.475 3.076 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)C1(Cc2ccc(F)cc2)CC1 ZINC000276056204 1435188297 /nfs/dbraw/zinc/18/82/97/1435188297.db2.gz UVJOSFLUKCUATQ-UHFFFAOYSA-N 0 1 380.423 3.162 20 0 GGADMN COc1ccc2c(c1)[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)CCS2 ZINC000276094561 1435190497 /nfs/dbraw/zinc/19/04/97/1435190497.db2.gz DKIUIPQFEUADMR-XJKSGUPXSA-N 0 1 387.427 3.005 20 0 GGADMN Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cn1 ZINC000276137092 1435193341 /nfs/dbraw/zinc/19/33/41/1435193341.db2.gz ZLGOPPRFLIFBRQ-SMDDNHRTSA-N 0 1 379.342 3.032 20 0 GGADMN C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276158370 1435194544 /nfs/dbraw/zinc/19/45/44/1435194544.db2.gz GFMQSISMOOBVEL-HNAYVOBHSA-N 0 1 378.538 3.064 20 0 GGADMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCN(Cc3ccccn3)C1=O)CCS2 ZINC000276156851 1435194565 /nfs/dbraw/zinc/19/45/65/1435194565.db2.gz QAFBINPKDRXYOV-RBUKOAKNSA-N 0 1 383.517 3.408 20 0 GGADMN CCOCCOCCN(C)C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000276169711 1435195347 /nfs/dbraw/zinc/19/53/47/1435195347.db2.gz GWKVEQCUFIKSEI-UHFFFAOYSA-N 0 1 384.520 3.444 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000276211015 1435197704 /nfs/dbraw/zinc/19/77/04/1435197704.db2.gz PCYQDTWJECDCSP-AWEZNQCLSA-N 0 1 386.418 3.042 20 0 GGADMN COc1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c(OC)c1OC ZINC000276250945 1435200215 /nfs/dbraw/zinc/20/02/15/1435200215.db2.gz WGHLALDTFMNSQU-KRWDZBQOSA-N 0 1 376.497 3.126 20 0 GGADMN CCOC(CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)OCC ZINC000276308417 1435203815 /nfs/dbraw/zinc/20/38/15/1435203815.db2.gz DWUHSJUHVZQNLR-UHFFFAOYSA-N 0 1 377.529 3.082 20 0 GGADMN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000276310352 1435204013 /nfs/dbraw/zinc/20/40/13/1435204013.db2.gz FHWTXZLVRGUMDV-QGZVFWFLSA-N 0 1 397.567 3.466 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ncon3)n[nH]2)cc1OC ZINC000276311279 1435204054 /nfs/dbraw/zinc/20/40/54/1435204054.db2.gz YLMZHKCAGKOUIB-MRXNPFEDSA-N 0 1 397.435 3.234 20 0 GGADMN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000276345705 1435206166 /nfs/dbraw/zinc/20/61/66/1435206166.db2.gz MYEAABNQSSCSMM-CYBMUJFWSA-N 0 1 399.438 3.265 20 0 GGADMN COc1cc(CN[C@H](C)c2cnn(C(C)C)c2C)ccc1OCC(=O)N(C)C ZINC000276353380 1435206561 /nfs/dbraw/zinc/20/65/61/1435206561.db2.gz LQEWEZDRCHCQAI-OAHLLOKOSA-N 0 1 388.512 3.099 20 0 GGADMN Cc1c([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cnn1C(C)C ZINC000276360748 1435206828 /nfs/dbraw/zinc/20/68/28/1435206828.db2.gz MUUJBCZBCUAFSN-GJZGRUSLSA-N 0 1 378.542 3.435 20 0 GGADMN CN1CC[C@H](CNC(=O)N(CCO)C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276364472 1435207174 /nfs/dbraw/zinc/20/71/74/1435207174.db2.gz ZMLPJMLDSLESCT-KDOFPFPSSA-N 0 1 383.895 3.028 20 0 GGADMN CN1CC[C@H](CNC(=O)N(CCO)C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276364481 1435207252 /nfs/dbraw/zinc/20/72/52/1435207252.db2.gz ZMLPJMLDSLESCT-RDTXWAMCSA-N 0 1 383.895 3.028 20 0 GGADMN Cc1c([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cnn1C(C)(C)C ZINC000276380926 1435208162 /nfs/dbraw/zinc/20/81/62/1435208162.db2.gz QCWDDYBQXKEQJY-INIZCTEOSA-N 0 1 384.524 3.270 20 0 GGADMN CCC1(CC)Oc2ccc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2O1 ZINC000276397241 1435209182 /nfs/dbraw/zinc/20/91/82/1435209182.db2.gz VXROJNPBUOBPPM-UHFFFAOYSA-N 0 1 389.496 3.303 20 0 GGADMN CC(C)c1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)n(-c2ncccn2)n1 ZINC000276425527 1435210891 /nfs/dbraw/zinc/21/08/91/1435210891.db2.gz GNLFIOODJHGZBD-INIZCTEOSA-N 0 1 399.524 3.272 20 0 GGADMN COc1cc(-c2noc(CN([C@@H](C)CO)C3CCCC3)n2)ccc1OC(F)F ZINC000276444468 1435211832 /nfs/dbraw/zinc/21/18/32/1435211832.db2.gz LSQOTGXLIGHBCG-LBPRGKRZSA-N 0 1 397.422 3.472 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000276482795 1435213767 /nfs/dbraw/zinc/21/37/67/1435213767.db2.gz SFIOELVVHNFAOA-NQIIRXRSSA-N 0 1 377.488 3.265 20 0 GGADMN CCS(=O)(=O)CCCCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000276488273 1435213967 /nfs/dbraw/zinc/21/39/67/1435213967.db2.gz QFMNIBQVRUBKDO-LJQANCHMSA-N 0 1 379.522 3.420 20 0 GGADMN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000276514458 1435215397 /nfs/dbraw/zinc/21/53/97/1435215397.db2.gz FFTDWSMIPSKJDU-UHFFFAOYSA-N 0 1 390.509 3.262 20 0 GGADMN COC(=O)c1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c(C)cc1C ZINC000276515954 1435215406 /nfs/dbraw/zinc/21/54/06/1435215406.db2.gz UCFYMIQKCGPZJS-UHFFFAOYSA-N 0 1 396.491 3.271 20 0 GGADMN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2[nH]nc3c2CCCCC3)n1 ZINC000276566726 1435217805 /nfs/dbraw/zinc/21/78/05/1435217805.db2.gz QVQYNGZIVGZBGR-GFCCVEGCSA-N 0 1 381.436 3.228 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)CCOCC(F)(F)C(F)F)N2CCCC2)o1 ZINC000276589373 1435219004 /nfs/dbraw/zinc/21/90/04/1435219004.db2.gz IEWLZMVETMYQFO-CYBMUJFWSA-N 0 1 380.382 3.148 20 0 GGADMN CS(=O)(=O)c1cccc([C@@H](NCCOCC(F)F)c2ccc(F)cc2)c1 ZINC000276599072 1435219739 /nfs/dbraw/zinc/21/97/39/1435219739.db2.gz FEEIUALIWVLCCK-SFHVURJKSA-N 0 1 387.423 3.190 20 0 GGADMN Cc1[nH]ncc1CNC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000276646653 1435222712 /nfs/dbraw/zinc/22/27/12/1435222712.db2.gz OMACFDCDRYFJSO-UHFFFAOYSA-N 0 1 391.516 3.041 20 0 GGADMN C[C@H](O)[C@@](C)(CNCc1c(Cl)cccc1S(C)(=O)=O)Cc1ccccc1 ZINC000276688868 1435225474 /nfs/dbraw/zinc/22/54/74/1435225474.db2.gz KBFSEXVZIOEEQB-MGPUTAFESA-N 0 1 395.952 3.463 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 ZINC000276702875 1435226216 /nfs/dbraw/zinc/22/62/16/1435226216.db2.gz KSLAWSDBQVKHRQ-UHFFFAOYSA-N 0 1 386.477 3.153 20 0 GGADMN Cc1ccc([C@H](NCCOCC(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000276716639 1435227342 /nfs/dbraw/zinc/22/73/42/1435227342.db2.gz WDYNJIJNIPFIOJ-IBGZPJMESA-N 0 1 383.460 3.359 20 0 GGADMN Cc1ccc([C@@H](NCCOCC(F)F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000276716648 1435227410 /nfs/dbraw/zinc/22/74/10/1435227410.db2.gz WDYNJIJNIPFIOJ-LJQANCHMSA-N 0 1 383.460 3.359 20 0 GGADMN COc1ccccc1-c1noc([C@H](C)NC2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000276724926 1435228111 /nfs/dbraw/zinc/22/81/11/1435228111.db2.gz GHFIMFCNLSBXGA-AWEZNQCLSA-N 0 1 396.447 3.294 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000276724630 1435228132 /nfs/dbraw/zinc/22/81/32/1435228132.db2.gz ANFWIRJDWOOLFM-UHFFFAOYSA-N 0 1 380.473 3.251 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n[nH]1 ZINC000276743661 1435229418 /nfs/dbraw/zinc/22/94/18/1435229418.db2.gz BHSHUKMLBARXSI-KBPBESRZSA-N 0 1 384.484 3.437 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)NC)c(Cl)c2)n[nH]1 ZINC000276752636 1435229970 /nfs/dbraw/zinc/22/99/70/1435229970.db2.gz AXZVLMBRYLJLCE-UWVGGRQHSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)NC)ccc2Cl)n[nH]1 ZINC000276758152 1435230179 /nfs/dbraw/zinc/23/01/79/1435230179.db2.gz BIXAISIMDMWODD-NXEZZACHSA-N 0 1 378.864 3.214 20 0 GGADMN COc1cc([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)ccc1SC ZINC000276764551 1435230814 /nfs/dbraw/zinc/23/08/14/1435230814.db2.gz JHLXHMDHDLFEIJ-AWEZNQCLSA-N 0 1 395.546 3.034 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000276769883 1435231053 /nfs/dbraw/zinc/23/10/53/1435231053.db2.gz CIAYTZBRPXKBIZ-UNMCSNQZSA-N 0 1 396.535 3.276 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1cccc(OCC(C)C)c1 ZINC000276767648 1435231071 /nfs/dbraw/zinc/23/10/71/1435231071.db2.gz HWKSHZAXNIVABY-UHFFFAOYSA-N 0 1 380.448 3.161 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OCCOC)c(F)c2)n[nH]1 ZINC000276771963 1435231215 /nfs/dbraw/zinc/23/12/15/1435231215.db2.gz CMSIHFRODOZOIG-NEPJUHHUSA-N 0 1 379.436 3.365 20 0 GGADMN COc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)cc1OC ZINC000276769984 1435231265 /nfs/dbraw/zinc/23/12/65/1435231265.db2.gz IBNFLOVQNXBTQW-ZDUSSCGKSA-N 0 1 396.447 3.013 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)n[nH]1 ZINC000276777761 1435231846 /nfs/dbraw/zinc/23/18/46/1435231846.db2.gz ADQJCJYPPLPGHB-AVGNSLFASA-N 0 1 383.456 3.490 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2OC(C)C)n[nH]1 ZINC000276779542 1435231860 /nfs/dbraw/zinc/23/18/60/1435231860.db2.gz AHZDBDAGDXNQQZ-NEPJUHHUSA-N 0 1 391.447 3.060 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)n[nH]1 ZINC000276789500 1435232528 /nfs/dbraw/zinc/23/25/28/1435232528.db2.gz BIJCATDVXWMVPS-DCGLDWPTSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(OCCCOC)c2)n[nH]1 ZINC000276787621 1435232661 /nfs/dbraw/zinc/23/26/61/1435232661.db2.gz BDSKDCHQIXFMMD-HUUCEWRRSA-N 0 1 389.500 3.294 20 0 GGADMN COc1ccc(CN(C(=O)C(=O)Nc2cc3cn[nH]c3cc2C)C2CC2)cc1 ZINC000276790720 1435232766 /nfs/dbraw/zinc/23/27/66/1435232766.db2.gz KVASGGQWYRPOTR-UHFFFAOYSA-N 0 1 378.432 3.010 20 0 GGADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276791135 1435232782 /nfs/dbraw/zinc/23/27/82/1435232782.db2.gz QYWFMHOZFFBMBA-QFIPXVFZSA-N 0 1 391.515 3.156 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)n[nH]1 ZINC000276791284 1435232787 /nfs/dbraw/zinc/23/27/87/1435232787.db2.gz BMMMTNYSOXRYFU-KGLIPLIRSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n[nH]1 ZINC000276793185 1435232906 /nfs/dbraw/zinc/23/29/06/1435232906.db2.gz BRFCPCOIXBISLJ-NWDGAFQWSA-N 0 1 398.492 3.258 20 0 GGADMN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc4cn[nH]c4cc3C)CCC(=O)N2C)cc1 ZINC000276792836 1435233044 /nfs/dbraw/zinc/23/30/44/1435233044.db2.gz RCDOGBBIANDVQQ-UWJYYQICSA-N 0 1 392.459 3.428 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(-c3ncco3)ccc2C)n[nH]1 ZINC000276795188 1435233142 /nfs/dbraw/zinc/23/31/42/1435233142.db2.gz BZMLATURRSRKLT-WCQYABFASA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC2CCCC2)n[nH]1 ZINC000276796996 1435233300 /nfs/dbraw/zinc/23/33/00/1435233300.db2.gz CGTLAPYUHRQKDD-KBPBESRZSA-N 0 1 399.495 3.456 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1ccc(OCC(C)C)cc1 ZINC000276805585 1435234049 /nfs/dbraw/zinc/23/40/49/1435234049.db2.gz NEPANCWLTBSPSY-UHFFFAOYSA-N 0 1 380.448 3.161 20 0 GGADMN CCCCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000276808685 1435234245 /nfs/dbraw/zinc/23/42/45/1435234245.db2.gz DLELTSFCIOJMJV-KGLIPLIRSA-N 0 1 387.484 3.313 20 0 GGADMN CCOc1cc(Cl)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276812468 1435234365 /nfs/dbraw/zinc/23/43/65/1435234365.db2.gz DTENVRLDEKCBEC-GHMZBOCLSA-N 0 1 393.875 3.186 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n[nH]1 ZINC000276814656 1435234678 /nfs/dbraw/zinc/23/46/78/1435234678.db2.gz DXYMUSGJICXEMC-UONOGXRCSA-N 0 1 399.474 3.246 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCc2nc(C(F)(F)F)cs2)n[nH]1 ZINC000276821536 1435235176 /nfs/dbraw/zinc/23/51/76/1435235176.db2.gz FPIZIIVALOMAPP-RKDXNWHRSA-N 0 1 390.435 3.396 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)n[nH]1 ZINC000276821423 1435235219 /nfs/dbraw/zinc/23/52/19/1435235219.db2.gz FOOUUURZXHMFGR-NXEZZACHSA-N 0 1 397.451 3.449 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)n[nH]1 ZINC000276824154 1435235393 /nfs/dbraw/zinc/23/53/93/1435235393.db2.gz FTTGEMHMXPTXTL-BXUZGUMPSA-N 0 1 394.479 3.299 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000276832620 1435236019 /nfs/dbraw/zinc/23/60/19/1435236019.db2.gz QXYWBFVXFFPTDR-UHFFFAOYSA-N 0 1 384.386 3.279 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2c(C)noc2-c2ccccc2)n[nH]1 ZINC000276834902 1435236244 /nfs/dbraw/zinc/23/62/44/1435236244.db2.gz HBMPMRAMSPVRIY-DGCLKSJQSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)n[nH]1 ZINC000276842254 1435236933 /nfs/dbraw/zinc/23/69/33/1435236933.db2.gz CFFKBSAHYTVCMM-RWMBFGLXSA-N 0 1 380.514 3.142 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2nccn2CCc2ccccc2)n[nH]1 ZINC000276850883 1435237347 /nfs/dbraw/zinc/23/73/47/1435237347.db2.gz IVOUEAOVQIKGSJ-HOTGVXAUSA-N 0 1 395.511 3.318 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000276850501 1435237388 /nfs/dbraw/zinc/23/73/88/1435237388.db2.gz UTAUDFBODFSXNF-OAHLLOKOSA-N 0 1 380.448 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000276851108 1435237588 /nfs/dbraw/zinc/23/75/88/1435237588.db2.gz IYFFCSHQQAWDPD-KUDNYVPYSA-N 0 1 393.438 3.487 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000276851220 1435237603 /nfs/dbraw/zinc/23/76/03/1435237603.db2.gz IZAXNEHCRCJXCQ-NXEZZACHSA-N 0 1 383.374 3.153 20 0 GGADMN CCOC(=O)c1csc([C@H]2CCCN2C(=O)c2cc(C)cc3c[nH]nc32)n1 ZINC000276859231 1435238024 /nfs/dbraw/zinc/23/80/24/1435238024.db2.gz MBHPPDKNWMBEEN-OAHLLOKOSA-N 0 1 384.461 3.482 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1 ZINC000276857490 1435238029 /nfs/dbraw/zinc/23/80/29/1435238029.db2.gz JVJUBEGIODKGJS-VXGBXAGGSA-N 0 1 391.447 3.060 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)n[nH]1 ZINC000276865614 1435238448 /nfs/dbraw/zinc/23/84/48/1435238448.db2.gz LATRMVACTHQBHW-DGCLKSJQSA-N 0 1 396.451 3.098 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@@H](C)Oc2ccccc2OC)n[nH]1 ZINC000276863804 1435238462 /nfs/dbraw/zinc/23/84/62/1435238462.db2.gz KPAKOEGFSHTRPI-MJBXVCDLSA-N 0 1 375.473 3.155 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)N[C@@H](C)c3n[nH]c([C@@H](C)CC)n3)cc21 ZINC000276869167 1435238848 /nfs/dbraw/zinc/23/88/48/1435238848.db2.gz LHIWZEPXBOQKNB-KBPBESRZSA-N 0 1 396.495 3.499 20 0 GGADMN CCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3n[nH]c([C@@H](C)CC)n3)cc21 ZINC000276869174 1435238858 /nfs/dbraw/zinc/23/88/58/1435238858.db2.gz LHIWZEPXBOQKNB-UONOGXRCSA-N 0 1 396.495 3.499 20 0 GGADMN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276873517 1435239163 /nfs/dbraw/zinc/23/91/63/1435239163.db2.gz LUVMMOGJOWPBIV-UONOGXRCSA-N 0 1 387.484 3.231 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cn(C)nc2-c2ccccc2)n[nH]1 ZINC000276875215 1435239345 /nfs/dbraw/zinc/23/93/45/1435239345.db2.gz LVGAAKZFTKLEDV-KGLIPLIRSA-N 0 1 381.484 3.279 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(O[C@@H](C)CC)c2)n[nH]1 ZINC000276877680 1435239512 /nfs/dbraw/zinc/23/95/12/1435239512.db2.gz MFBRLJPCOHAKGO-RDBSUJKOSA-N 0 1 387.484 3.311 20 0 GGADMN COC1(CC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCC1 ZINC000276879065 1435239578 /nfs/dbraw/zinc/23/95/78/1435239578.db2.gz REWAKKWAFHAPRW-UHFFFAOYSA-N 0 1 394.519 3.302 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)n[nH]1 ZINC000276892867 1435240644 /nfs/dbraw/zinc/24/06/44/1435240644.db2.gz NWRSUPLLTICHJD-YUMQZZPRSA-N 0 1 385.802 3.066 20 0 GGADMN O=C(Nc1cccc(F)c1)C1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000276895696 1435241054 /nfs/dbraw/zinc/24/10/54/1435241054.db2.gz COGPMEWTWLAQAV-HXUWFJFHSA-N 0 1 381.451 3.430 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)n[nH]1 ZINC000276899298 1435241286 /nfs/dbraw/zinc/24/12/86/1435241286.db2.gz OSIKNYZNQLREIB-WSMBLCCSSA-N 0 1 389.500 3.463 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)n[nH]1 ZINC000276902731 1435241406 /nfs/dbraw/zinc/24/14/06/1435241406.db2.gz PARFPFKUUIMMAQ-OLZOCXBDSA-N 0 1 397.483 3.065 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)n[nH]1 ZINC000276902741 1435241682 /nfs/dbraw/zinc/24/16/82/1435241682.db2.gz PARFPFKUUIMMAQ-STQMWFEESA-N 0 1 397.483 3.065 20 0 GGADMN CN1C(=O)C[C@@H](NCc2cc(F)cc3c2OCOC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000276905502 1435241788 /nfs/dbraw/zinc/24/17/88/1435241788.db2.gz IKTPXVQPYGECFG-MJGOQNOKSA-N 0 1 392.377 3.032 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)cc2OC)n[nH]1 ZINC000276909271 1435242067 /nfs/dbraw/zinc/24/20/67/1435242067.db2.gz JSXWJHRKFAYVKM-GHMZBOCLSA-N 0 1 377.445 3.227 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)n[nH]1 ZINC000276913592 1435242444 /nfs/dbraw/zinc/24/24/44/1435242444.db2.gz QNVWXEBOJZGQJX-ZIAGYGMSSA-N 0 1 399.495 3.456 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000276916555 1435242669 /nfs/dbraw/zinc/24/26/69/1435242669.db2.gz QZOHPEWESAMPNL-NXEZZACHSA-N 0 1 383.374 3.153 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cc(COC(C)(C)C)on2)n[nH]1 ZINC000276919285 1435242826 /nfs/dbraw/zinc/24/28/26/1435242826.db2.gz RHKXYBCOHWLTRI-VXGBXAGGSA-N 0 1 378.477 3.182 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)n[nH]1 ZINC000276920710 1435243040 /nfs/dbraw/zinc/24/30/40/1435243040.db2.gz RPBZDUVNOZQVBN-ONGXEEELSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)n[nH]1 ZINC000276920708 1435243092 /nfs/dbraw/zinc/24/30/92/1435243092.db2.gz RPBZDUVNOZQVBN-MWLCHTKSSA-N 0 1 397.401 3.461 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccn(CCc3ccncc3)n2)n[nH]1 ZINC000276923963 1435243260 /nfs/dbraw/zinc/24/32/60/1435243260.db2.gz LNEZWUBODQBVIW-KGLIPLIRSA-N 0 1 382.472 3.035 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)n[nH]1 ZINC000276923924 1435243341 /nfs/dbraw/zinc/24/33/41/1435243341.db2.gz LMQWPOLSLCFQLV-XQQFMLRXSA-N 0 1 388.472 3.174 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)n[nH]1 ZINC000276925504 1435243431 /nfs/dbraw/zinc/24/34/31/1435243431.db2.gz SDLXFAHPBTYCOH-NEPJUHHUSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)n[nH]1 ZINC000276924032 1435243556 /nfs/dbraw/zinc/24/35/56/1435243556.db2.gz SAWPXKUEMDJJCB-OLZOCXBDSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(C)C)c(C)c2)n[nH]1 ZINC000276928503 1435243905 /nfs/dbraw/zinc/24/39/05/1435243905.db2.gz SPLCGJSVEIDHAN-GXTWGEPZSA-N 0 1 387.484 3.230 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)n[nH]1 ZINC000276933369 1435244357 /nfs/dbraw/zinc/24/43/57/1435244357.db2.gz MSTQWLJZTVRTLE-VHSXEESVSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)n[nH]1 ZINC000276933367 1435244419 /nfs/dbraw/zinc/24/44/19/1435244419.db2.gz MSTQWLJZTVRTLE-UWVGGRQHSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)n[nH]1 ZINC000276933365 1435244500 /nfs/dbraw/zinc/24/45/00/1435244500.db2.gz MSTQWLJZTVRTLE-NXEZZACHSA-N 0 1 378.864 3.214 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)n[nH]1 ZINC000276937395 1435245001 /nfs/dbraw/zinc/24/50/01/1435245001.db2.gz UIUBFEVQGTVQLG-MWLCHTKSSA-N 0 1 397.401 3.461 20 0 GGADMN Cc1cc2c(cc1C)[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)CCS2 ZINC000276942174 1435245391 /nfs/dbraw/zinc/24/53/91/1435245391.db2.gz UIOGAWKGWBGUPJ-IBGZPJMESA-N 0 1 391.558 3.396 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1 ZINC000276941742 1435245428 /nfs/dbraw/zinc/24/54/28/1435245428.db2.gz UUSGPYWAIWLYDR-RYUDHWBXSA-N 0 1 398.492 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(O[C@@H](C)CC)cc2)n[nH]1 ZINC000276943913 1435245627 /nfs/dbraw/zinc/24/56/27/1435245627.db2.gz VBQSAWDQJBBBOQ-RDBSUJKOSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(O[C@@H](C)CC)cc2)n[nH]1 ZINC000276943900 1435245638 /nfs/dbraw/zinc/24/56/38/1435245638.db2.gz VBQSAWDQJBBBOQ-HZSPNIEDSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1 ZINC000276943908 1435245691 /nfs/dbraw/zinc/24/56/91/1435245691.db2.gz VBQSAWDQJBBBOQ-MELADBBJSA-N 0 1 387.484 3.311 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2cccc(SC)c2C)n[nH]1 ZINC000276947577 1435245936 /nfs/dbraw/zinc/24/59/36/1435245936.db2.gz VJXOUGHKTRNDJT-PWSUYJOCSA-N 0 1 375.498 3.164 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000276957459 1435246864 /nfs/dbraw/zinc/24/68/64/1435246864.db2.gz WPBDZBOOHHGZEK-NXEZZACHSA-N 0 1 399.373 3.033 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2nnc(-c3ccccc3)s2)n[nH]1 ZINC000276963594 1435247502 /nfs/dbraw/zinc/24/75/02/1435247502.db2.gz XGVHHTRNLODNDU-NWDGAFQWSA-N 0 1 385.497 3.397 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2nnc(-c3ccccc3)s2)n[nH]1 ZINC000276963588 1435247541 /nfs/dbraw/zinc/24/75/41/1435247541.db2.gz XGVHHTRNLODNDU-NEPJUHHUSA-N 0 1 385.497 3.397 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2nnc(-c3ccccc3)s2)n[nH]1 ZINC000276963598 1435247573 /nfs/dbraw/zinc/24/75/73/1435247573.db2.gz XGVHHTRNLODNDU-RYUDHWBXSA-N 0 1 385.497 3.397 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2nnc(-c3ccccc3)s2)n[nH]1 ZINC000276963602 1435247577 /nfs/dbraw/zinc/24/75/77/1435247577.db2.gz XGVHHTRNLODNDU-VXGBXAGGSA-N 0 1 385.497 3.397 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000276968867 1435248161 /nfs/dbraw/zinc/24/81/61/1435248161.db2.gz FNUCTMIQDIMBEO-IBGZPJMESA-N 0 1 389.519 3.309 20 0 GGADMN COCCN(C)c1ccc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000276968000 1435248176 /nfs/dbraw/zinc/24/81/76/1435248176.db2.gz OLJMXUQBRKCYLD-HNNXBMFYSA-N 0 1 389.496 3.041 20 0 GGADMN COCCN(C)c1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000276968003 1435248194 /nfs/dbraw/zinc/24/81/94/1435248194.db2.gz OLJMXUQBRKCYLD-OAHLLOKOSA-N 0 1 389.496 3.041 20 0 GGADMN C[C@H](c1nc(Cc2nc(N)nc(Nc3ccccc3)n2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276976481 1435248767 /nfs/dbraw/zinc/24/87/67/1435248767.db2.gz VCFZLVGTJASDRD-HZSPNIEDSA-N 0 1 394.483 3.105 20 0 GGADMN C[C@H](c1nc(Cc2nc(N)nc(Nc3ccccc3)n2)no1)N1[C@H](C)CC[C@H]1C ZINC000276976496 1435248776 /nfs/dbraw/zinc/24/87/76/1435248776.db2.gz VCFZLVGTJASDRD-MGPQQGTHSA-N 0 1 394.483 3.105 20 0 GGADMN CC(C)N(C)c1ccc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cn1 ZINC000276974424 1435248792 /nfs/dbraw/zinc/24/87/92/1435248792.db2.gz QQYPMWASFBEVKS-INIZCTEOSA-N 0 1 390.553 3.027 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000276975469 1435248817 /nfs/dbraw/zinc/24/88/17/1435248817.db2.gz QRVKGZVGUAFBLT-LESCRADOSA-N 0 1 376.526 3.022 20 0 GGADMN CCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1CCC(C)C ZINC000276976224 1435248867 /nfs/dbraw/zinc/24/88/67/1435248867.db2.gz XUQQAAPNWYSRBU-UHFFFAOYSA-N 0 1 381.498 3.310 20 0 GGADMN O=C(c1[nH]nc2ccccc21)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276975517 1435248884 /nfs/dbraw/zinc/24/88/84/1435248884.db2.gz QSLBEXOAWBJJDF-MRXNPFEDSA-N 0 1 381.436 3.207 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc3c4c(cccc42)CC3)n[nH]1 ZINC000276980130 1435249293 /nfs/dbraw/zinc/24/92/93/1435249293.db2.gz ZHMXJPACVOWQKZ-QWHCGFSZSA-N 0 1 391.475 3.386 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)n[nH]1 ZINC000276990490 1435250251 /nfs/dbraw/zinc/25/02/51/1435250251.db2.gz SJQYFOPGTFEJBW-DGCLKSJQSA-N 0 1 398.467 3.163 20 0 GGADMN O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277013172 1435251983 /nfs/dbraw/zinc/25/19/83/1435251983.db2.gz LTZQYQLRJAENMQ-YLJYHZDGSA-N 0 1 396.512 3.022 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)n[nH]1 ZINC000277019578 1435252542 /nfs/dbraw/zinc/25/25/42/1435252542.db2.gz WOOUFLNPDUCDEJ-AAEUAGOBSA-N 0 1 384.484 3.402 20 0 GGADMN Cc1noc(C[C@@H](N[C@@H](C)CS(=O)(=O)c2ccccc2)c2ccccc2)n1 ZINC000277024689 1435253273 /nfs/dbraw/zinc/25/32/73/1435253273.db2.gz DRHZWYZVXHYHHK-HNAYVOBHSA-N 0 1 385.489 3.114 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000277036349 1435254627 /nfs/dbraw/zinc/25/46/27/1435254627.db2.gz ORIKITVJQUFISA-SFHVURJKSA-N 0 1 387.528 3.297 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OCCC(=O)OC)cc2)n[nH]1 ZINC000277036992 1435254672 /nfs/dbraw/zinc/25/46/72/1435254672.db2.gz YIVLTPAKOCUAGU-OLZOCXBDSA-N 0 1 389.456 3.143 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OCCC(=O)OC)cc2)n[nH]1 ZINC000277036988 1435254764 /nfs/dbraw/zinc/25/47/64/1435254764.db2.gz YIVLTPAKOCUAGU-CHWSQXEVSA-N 0 1 389.456 3.143 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000277041317 1435255143 /nfs/dbraw/zinc/25/51/43/1435255143.db2.gz TXJUBRPVEVBPOC-UHFFFAOYSA-N 0 1 380.423 3.183 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000277041542 1435255338 /nfs/dbraw/zinc/25/53/38/1435255338.db2.gz UBEJSLJMLZVZCP-UHFFFAOYSA-N 0 1 384.386 3.279 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2)n1 ZINC000277046052 1435256019 /nfs/dbraw/zinc/25/60/19/1435256019.db2.gz CCYXUIOEJOLDKK-BEFAXECRSA-N 0 1 376.460 3.229 20 0 GGADMN Cc1noc(C[C@H](NCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2)n1 ZINC000277046073 1435256028 /nfs/dbraw/zinc/25/60/28/1435256028.db2.gz CCYXUIOEJOLDKK-KXBFYZLASA-N 0 1 376.460 3.229 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)n[nH]1 ZINC000277050534 1435256639 /nfs/dbraw/zinc/25/66/39/1435256639.db2.gz LJIJTWOSRMHPBW-AVCJSFLBSA-N 0 1 385.493 3.124 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccccc2OCCn2ccnc2)n[nH]1 ZINC000277053810 1435256788 /nfs/dbraw/zinc/25/67/88/1435256788.db2.gz ZUTCXGZNSXSYNN-GJZGRUSLSA-N 0 1 397.483 3.476 20 0 GGADMN Cc1noc(C[C@@H](NC(=O)NC[C@@H](c2ccsc2)N(C)C)c2ccccc2)n1 ZINC000277057482 1435257368 /nfs/dbraw/zinc/25/73/68/1435257368.db2.gz RCHKEPQQHKYPGI-MSOLQXFVSA-N 0 1 399.520 3.325 20 0 GGADMN COc1cc(C[NH2+]Cc2cc(C(=O)[O-])co2)ccc1OCc1c(C)noc1C ZINC000277066816 1435258531 /nfs/dbraw/zinc/25/85/31/1435258531.db2.gz UYYQKHITPUARRP-UHFFFAOYSA-N 0 1 386.404 3.460 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(OC)c(OCCOC)c2)n[nH]1 ZINC000277067614 1435258538 /nfs/dbraw/zinc/25/85/38/1435258538.db2.gz PZYDAPURQNDNLU-STQMWFEESA-N 0 1 391.472 3.235 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccccc2Cn2cccn2)n[nH]1 ZINC000277074349 1435259262 /nfs/dbraw/zinc/25/92/62/1435259262.db2.gz BUPCAZQYVBPSGC-GJZGRUSLSA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(CN3CCCC3=O)cc2)n[nH]1 ZINC000277076335 1435259610 /nfs/dbraw/zinc/25/96/10/1435259610.db2.gz BYIGXNYMFGAYMD-GJZGRUSLSA-N 0 1 398.511 3.001 20 0 GGADMN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000277083736 1435260283 /nfs/dbraw/zinc/26/02/83/1435260283.db2.gz UXELESOMROGLLB-UHFFFAOYSA-N 0 1 394.397 3.282 20 0 GGADMN CCCn1ccnc1CCCN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000277100443 1435261893 /nfs/dbraw/zinc/26/18/93/1435261893.db2.gz WBMDCJPMULVQCX-MRXNPFEDSA-N 0 1 377.558 3.232 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2CCN(Cc3csc(C)n3)CC2)n[nH]1 ZINC000277122004 1435264796 /nfs/dbraw/zinc/26/47/96/1435264796.db2.gz STCXQJLKYYSMSW-OLZOCXBDSA-N 0 1 390.557 3.173 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n[nH]1 ZINC000277126368 1435265485 /nfs/dbraw/zinc/26/54/85/1435265485.db2.gz UAKWZELFTOWJRQ-MPTYRVRUSA-N 0 1 383.496 3.105 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)n[nH]1 ZINC000277131888 1435266192 /nfs/dbraw/zinc/26/61/92/1435266192.db2.gz CSUZEBZCMUAHEF-MNOVXSKESA-N 0 1 386.456 3.094 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)n[nH]1 ZINC000277135589 1435266533 /nfs/dbraw/zinc/26/65/33/1435266533.db2.gz USINJLCGVNGUPP-HRCADAONSA-N 0 1 398.511 3.440 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)n[nH]1 ZINC000277135593 1435267030 /nfs/dbraw/zinc/26/70/30/1435267030.db2.gz USINJLCGVNGUPP-JYJNAYRXSA-N 0 1 398.511 3.440 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)CSCc2cn3cc(C)ccc3n2)n[nH]1 ZINC000277139626 1435267142 /nfs/dbraw/zinc/26/71/42/1435267142.db2.gz VEIMJFLTGBNEKJ-KBPBESRZSA-N 0 1 386.525 3.385 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CSCc2cn3cc(C)ccc3n2)n[nH]1 ZINC000277139632 1435267188 /nfs/dbraw/zinc/26/71/88/1435267188.db2.gz VEIMJFLTGBNEKJ-KGLIPLIRSA-N 0 1 386.525 3.385 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CSCc2cn3cc(C)ccc3n2)n[nH]1 ZINC000277139637 1435267368 /nfs/dbraw/zinc/26/73/68/1435267368.db2.gz VEIMJFLTGBNEKJ-UONOGXRCSA-N 0 1 386.525 3.385 20 0 GGADMN CCc1c(NC(=O)c2ccccc2NS(C)(=O)=O)cnn1CCC(C)C ZINC000277142458 1435268023 /nfs/dbraw/zinc/26/80/23/1435268023.db2.gz PJHUHVROWZAHGX-UHFFFAOYSA-N 0 1 378.498 3.115 20 0 GGADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277144576 1435268346 /nfs/dbraw/zinc/26/83/46/1435268346.db2.gz AGQITZITMQYYLK-VLIAUNLRSA-N 0 1 392.459 3.481 20 0 GGADMN CCCNC(=O)c1cccc(CNC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000277150004 1435269271 /nfs/dbraw/zinc/26/92/71/1435269271.db2.gz HLLZWEJENQMQGI-UONOGXRCSA-N 0 1 386.500 3.018 20 0 GGADMN COCCN(Cc1cccnc1)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000277151267 1435269448 /nfs/dbraw/zinc/26/94/48/1435269448.db2.gz VUFOEJCGSLEAAL-OXJNMPFZSA-N 0 1 378.900 3.322 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)n[nH]1 ZINC000277163750 1435271244 /nfs/dbraw/zinc/27/12/44/1435271244.db2.gz XHSBSSWBMWYXBX-KGLIPLIRSA-N 0 1 399.495 3.239 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)n[nH]1 ZINC000277164867 1435271621 /nfs/dbraw/zinc/27/16/21/1435271621.db2.gz IQPQHSXGQSTWDY-KBPBESRZSA-N 0 1 384.484 3.005 20 0 GGADMN COc1ccc(C)cc1NC(=O)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277166629 1435272063 /nfs/dbraw/zinc/27/20/63/1435272063.db2.gz KLXJDJRPQZPOAM-QGZVFWFLSA-N 0 1 380.448 3.207 20 0 GGADMN Cc1noc(C[C@@H](NCC(=O)NCc2cccc(Cl)c2)c2ccccc2)n1 ZINC000277171266 1435273095 /nfs/dbraw/zinc/27/30/95/1435273095.db2.gz KTGULTNFRNKFPJ-GOSISDBHSA-N 0 1 384.867 3.221 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cccc(Cn3cccn3)c2)n[nH]1 ZINC000277171860 1435273217 /nfs/dbraw/zinc/27/32/17/1435273217.db2.gz JFYPNQYCQQBGTK-GJZGRUSLSA-N 0 1 381.484 3.123 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cccc(Cn3cccn3)c2)n[nH]1 ZINC000277171864 1435273251 /nfs/dbraw/zinc/27/32/51/1435273251.db2.gz JFYPNQYCQQBGTK-HUUCEWRRSA-N 0 1 381.484 3.123 20 0 GGADMN FC(F)c1nnc2ccc(NC[C@@H]3CSCCN3Cc3ccccc3)nn21 ZINC000277178250 1435274454 /nfs/dbraw/zinc/27/44/54/1435274454.db2.gz NIVUUEIRDWDJLH-CQSZACIVSA-N 0 1 390.463 3.091 20 0 GGADMN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000277189403 1435275829 /nfs/dbraw/zinc/27/58/29/1435275829.db2.gz KPNWOXANGQIMIF-MMKMLUHNSA-N 0 1 382.508 3.103 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)N2CCc3ccccc3C2)c2ccccc2)n1 ZINC000277220294 1435280403 /nfs/dbraw/zinc/28/04/03/1435280403.db2.gz FYVIGRUZAJZFBN-KKSFZXQISA-N 0 1 390.487 3.225 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)n1 ZINC000277232443 1435282601 /nfs/dbraw/zinc/28/26/01/1435282601.db2.gz YWJOUDSZLVGJQA-JXFKEZNVSA-N 0 1 399.516 3.422 20 0 GGADMN COc1ccc(CN[C@H](C[NH+]2CCCCC2)C(=O)[O-])cc1OCCC(C)C ZINC000277235071 1435282979 /nfs/dbraw/zinc/28/29/79/1435282979.db2.gz ITDBLYCRUUSXOE-GOSISDBHSA-N 0 1 378.513 3.149 20 0 GGADMN Cc1noc(C[C@@H](NC[C@H]2CN(c3ccccc3)C(=O)O2)c2ccccc2)n1 ZINC000277239608 1435283380 /nfs/dbraw/zinc/28/33/80/1435283380.db2.gz PIXOTCWVEVCCMK-RBUKOAKNSA-N 0 1 378.432 3.277 20 0 GGADMN CCOc1cc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])ccc1OCC(C)C ZINC000277257470 1435285591 /nfs/dbraw/zinc/28/55/91/1435285591.db2.gz KHYYQSHTOCNYKG-SFHVURJKSA-N 0 1 378.513 3.149 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)n[nH]1 ZINC000277263592 1435286697 /nfs/dbraw/zinc/28/66/97/1435286697.db2.gz QXEADCPGKLAEPW-WOSRLPQWSA-N 0 1 399.474 3.341 20 0 GGADMN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)[nH]1 ZINC000277279149 1435288929 /nfs/dbraw/zinc/28/89/29/1435288929.db2.gz QKBLMMSCDWQPTN-MJBXVCDLSA-N 0 1 389.500 3.403 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCc2nc3ccccc3n2CC)n[nH]1 ZINC000277311992 1435292754 /nfs/dbraw/zinc/29/27/54/1435292754.db2.gz VCXKBKRYHPLNHB-KBPBESRZSA-N 0 1 383.500 3.291 20 0 GGADMN O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(N2CCCC2=O)ccc1Cl ZINC000277317438 1435293416 /nfs/dbraw/zinc/29/34/16/1435293416.db2.gz AISLYLPCNFNPGJ-MRXNPFEDSA-N 0 1 375.900 3.214 20 0 GGADMN Cc1cnc(C2CCN(CCN(Cc3ccccc3)S(C)(=O)=O)CC2)s1 ZINC000277337543 1435295606 /nfs/dbraw/zinc/29/56/06/1435295606.db2.gz GWHPRHIEQNSMOP-UHFFFAOYSA-N 0 1 393.578 3.093 20 0 GGADMN CCOc1ccc(CNC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cc1OC ZINC000277344338 1435296657 /nfs/dbraw/zinc/29/66/57/1435296657.db2.gz XLWJCQFYBCCKQI-QWHCGFSZSA-N 0 1 375.473 3.286 20 0 GGADMN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)=O)ccc2O)cc1 ZINC000277348980 1435296761 /nfs/dbraw/zinc/29/67/61/1435296761.db2.gz AIAZHRDYEJRXQA-UHFFFAOYSA-N 0 1 375.446 3.421 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCCn2c(C)nc3ccccc32)n[nH]1 ZINC000277369488 1435299178 /nfs/dbraw/zinc/29/91/78/1435299178.db2.gz ZHTZJMKZSZXWBX-KGLIPLIRSA-N 0 1 383.500 3.427 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCCn2c(C)nc3ccccc32)n[nH]1 ZINC000277369505 1435299220 /nfs/dbraw/zinc/29/92/20/1435299220.db2.gz ZHTZJMKZSZXWBX-ZIAGYGMSSA-N 0 1 383.500 3.427 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCCn2c(C)nc3ccccc32)n[nH]1 ZINC000277369498 1435299279 /nfs/dbraw/zinc/29/92/79/1435299279.db2.gz ZHTZJMKZSZXWBX-UONOGXRCSA-N 0 1 383.500 3.427 20 0 GGADMN CCNC(=O)C1(CNCc2csc(COc3ccc(OC)cc3)n2)CCC1 ZINC000277415997 1435303163 /nfs/dbraw/zinc/30/31/63/1435303163.db2.gz METAOQHUMAITCC-UHFFFAOYSA-N 0 1 389.521 3.127 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CNC(=O)Cc2cccc3ccccc32)n[nH]1 ZINC000277420391 1435303478 /nfs/dbraw/zinc/30/34/78/1435303478.db2.gz BAHSWQKOMVSCCY-LSDHHAIUSA-N 0 1 393.491 3.008 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCC(=O)c2ccc(OC)c(F)c2)n[nH]1 ZINC000277422654 1435303809 /nfs/dbraw/zinc/30/38/09/1435303809.db2.gz BCGQNWZBXDENMS-VXGBXAGGSA-N 0 1 376.432 3.306 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)n[nH]1 ZINC000277436127 1435304643 /nfs/dbraw/zinc/30/46/43/1435304643.db2.gz NWCRTYZOLMTAIN-KGLIPLIRSA-N 0 1 386.500 3.473 20 0 GGADMN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)c2)cs1 ZINC000277446538 1435305192 /nfs/dbraw/zinc/30/51/92/1435305192.db2.gz HKLDSHXIISXNIH-GOSISDBHSA-N 0 1 398.532 3.190 20 0 GGADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277445339 1435305228 /nfs/dbraw/zinc/30/52/28/1435305228.db2.gz QYGNDPDNQPRCRS-AUUYWEPGSA-N 0 1 380.448 3.287 20 0 GGADMN COc1ccc(NC(=O)[C@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277445343 1435305233 /nfs/dbraw/zinc/30/52/33/1435305233.db2.gz QYGNDPDNQPRCRS-IFXJQAMLSA-N 0 1 380.448 3.287 20 0 GGADMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277449160 1435305442 /nfs/dbraw/zinc/30/54/42/1435305442.db2.gz RCJNAWRFHKKJJB-VBKZILBWSA-N 0 1 392.459 3.481 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)c3cc4ccccc4c(=O)o3)CC2)cc1 ZINC000277448965 1435305490 /nfs/dbraw/zinc/30/54/90/1435305490.db2.gz OBYILBRQWUXENI-UHFFFAOYSA-N 0 1 392.455 3.150 20 0 GGADMN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000277455200 1435305759 /nfs/dbraw/zinc/30/57/59/1435305759.db2.gz IJWBOCNANNTJDL-QGZVFWFLSA-N 0 1 397.441 3.253 20 0 GGADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)NCCc2ccccc2C)c2ccccc2)n1 ZINC000277459905 1435306078 /nfs/dbraw/zinc/30/60/78/1435306078.db2.gz RVTQGMVCHVVGJQ-UWJYYQICSA-N 0 1 392.503 3.307 20 0 GGADMN Cc1noc(C[C@H](N[C@H](C)C(=O)NCCc2ccccc2C)c2ccccc2)n1 ZINC000277459902 1435306099 /nfs/dbraw/zinc/30/60/99/1435306099.db2.gz RVTQGMVCHVVGJQ-UTKZUKDTSA-N 0 1 392.503 3.307 20 0 GGADMN Cc1ccnc2nc(C(=O)Nc3nnc([C@H]4CCCc5ccccc54)s3)nn21 ZINC000277467976 1435306562 /nfs/dbraw/zinc/30/65/62/1435306562.db2.gz IFCOOYBTOOYTSQ-AWEZNQCLSA-N 0 1 391.460 3.005 20 0 GGADMN O=C(c1ccc(OCC(F)(F)F)cn1)N1CCCN(Cc2ccccc2)CC1 ZINC000277472993 1435306964 /nfs/dbraw/zinc/30/69/64/1435306964.db2.gz QCNCCOBGWKSTGI-UHFFFAOYSA-N 0 1 393.409 3.371 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000277527922 1435310654 /nfs/dbraw/zinc/31/06/54/1435310654.db2.gz OOMLYWIMTMHONQ-UHFFFAOYSA-N 0 1 390.461 3.378 20 0 GGADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000277552837 1435312249 /nfs/dbraw/zinc/31/22/49/1435312249.db2.gz QUXZBJUOCDXOGI-KRWDZBQOSA-N 0 1 397.441 3.253 20 0 GGADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c2ccccc2)n1 ZINC000277555858 1435312444 /nfs/dbraw/zinc/31/24/44/1435312444.db2.gz ZHSSMZBEKIVBHB-FOIQADDNSA-N 0 1 396.466 3.438 20 0 GGADMN COc1cc(C)cc(C)c1S(=O)(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000277595278 1435315157 /nfs/dbraw/zinc/31/51/57/1435315157.db2.gz WCXZZDQDXBWQMG-UHFFFAOYSA-N 0 1 392.521 3.190 20 0 GGADMN Cc1cnc(C2CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)CC2)s1 ZINC000277600986 1435315614 /nfs/dbraw/zinc/31/56/14/1435315614.db2.gz LCYYENQQCPDIOQ-UHFFFAOYSA-N 0 1 399.564 3.400 20 0 GGADMN CCn1cnnc1-c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000277601616 1435315693 /nfs/dbraw/zinc/31/56/93/1435315693.db2.gz WXPCVNBWRFGXQM-UHFFFAOYSA-N 0 1 386.477 3.391 20 0 GGADMN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277631778 1435317892 /nfs/dbraw/zinc/31/78/92/1435317892.db2.gz CJKQKKIXIHUWIC-SECBINFHSA-N 0 1 395.353 3.275 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)[C@@H](c3ccccc3)N(C)C2=O)CC1 ZINC000277662234 1435320187 /nfs/dbraw/zinc/32/01/87/1435320187.db2.gz NADMRASKVAMYTM-OXQOHEQNSA-N 0 1 378.476 3.242 20 0 GGADMN FC(F)(F)c1cnc([C@H]2CCCN(Cc3noc(C4CCOCC4)n3)C2)[nH]1 ZINC000277689119 1435322109 /nfs/dbraw/zinc/32/21/09/1435322109.db2.gz BSLZCDUVJICOCU-LBPRGKRZSA-N 0 1 385.390 3.085 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000277700932 1435322924 /nfs/dbraw/zinc/32/29/24/1435322924.db2.gz OICYWGLQAWCIPX-UHFFFAOYSA-N 0 1 385.468 3.207 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)n[nH]1 ZINC000277705202 1435323293 /nfs/dbraw/zinc/32/32/93/1435323293.db2.gz DTXYRTFQVFYKFC-DAYGRLMNSA-N 0 1 383.496 3.249 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)n[nH]1 ZINC000277718441 1435324231 /nfs/dbraw/zinc/32/42/31/1435324231.db2.gz FQBRAATVLORGHL-JSGCOSHPSA-N 0 1 394.479 3.181 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(-c3nnc(COC)o3)c2)n[nH]1 ZINC000277738316 1435325740 /nfs/dbraw/zinc/32/57/40/1435325740.db2.gz GTOFGDMBWNUSST-RYUDHWBXSA-N 0 1 384.440 3.006 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(-c3nnc(COC)o3)c2)n[nH]1 ZINC000277738322 1435325844 /nfs/dbraw/zinc/32/58/44/1435325844.db2.gz GTOFGDMBWNUSST-VXGBXAGGSA-N 0 1 384.440 3.006 20 0 GGADMN O=C(NCc1ccco1)c1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277746910 1435326617 /nfs/dbraw/zinc/32/66/17/1435326617.db2.gz LFDKFMUTBBHPJB-FUHWJXTLSA-N 0 1 396.409 3.345 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CSCC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000277752887 1435327174 /nfs/dbraw/zinc/32/71/74/1435327174.db2.gz HTSULGFVNZUAIG-KGLIPLIRSA-N 0 1 389.525 3.176 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)Cc2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000277759034 1435327868 /nfs/dbraw/zinc/32/78/68/1435327868.db2.gz BLZCEBMXEBJGCE-IHRRRGAJSA-N 0 1 385.468 3.143 20 0 GGADMN CC(=O)Nc1ccc(NC(=O)Cc2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000277759040 1435327913 /nfs/dbraw/zinc/32/79/13/1435327913.db2.gz BLZCEBMXEBJGCE-MJBXVCDLSA-N 0 1 385.468 3.143 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n[nH]1 ZINC000277778264 1435329449 /nfs/dbraw/zinc/32/94/49/1435329449.db2.gz JELWBMZSDFZMHK-XYJFISCASA-N 0 1 397.523 3.356 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n[nH]1 ZINC000277778262 1435329565 /nfs/dbraw/zinc/32/95/65/1435329565.db2.gz JELWBMZSDFZMHK-LZLYRXPVSA-N 0 1 397.523 3.356 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n[nH]1 ZINC000277778257 1435329595 /nfs/dbraw/zinc/32/95/95/1435329595.db2.gz JELWBMZSDFZMHK-BQFCYCMXSA-N 0 1 397.523 3.356 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000277802491 1435332072 /nfs/dbraw/zinc/33/20/72/1435332072.db2.gz KSFRMNMBODQHQH-NEPJUHHUSA-N 0 1 397.435 3.235 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)n[nH]1 ZINC000277804901 1435332164 /nfs/dbraw/zinc/33/21/64/1435332164.db2.gz KUFSGHGSDOCVQN-OLZOCXBDSA-N 0 1 398.467 3.187 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000277804044 1435332246 /nfs/dbraw/zinc/33/22/46/1435332246.db2.gz ZGXSWDJRMQMHOM-INIZCTEOSA-N 0 1 396.466 3.211 20 0 GGADMN C[C@H](c1ccncc1)N1CCC(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000277804048 1435332317 /nfs/dbraw/zinc/33/23/17/1435332317.db2.gz ZGXSWDJRMQMHOM-MRXNPFEDSA-N 0 1 396.466 3.211 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)n[nH]1 ZINC000277814687 1435332976 /nfs/dbraw/zinc/33/29/76/1435332976.db2.gz LHJYUMLRCCKSGQ-HUUCEWRRSA-N 0 1 383.496 3.392 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)n[nH]1 ZINC000277820710 1435333663 /nfs/dbraw/zinc/33/36/63/1435333663.db2.gz LRRNPKZTJQHGRY-MMPTUQATSA-N 0 1 393.438 3.041 20 0 GGADMN Cn1ccnc1COc1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277831832 1435334317 /nfs/dbraw/zinc/33/43/17/1435334317.db2.gz ROMKDNCGRMHJMY-MAUKXSAKSA-N 0 1 383.414 3.134 20 0 GGADMN CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cc(-c4ccc(C)cc4)no3)CC2)n1 ZINC000277860823 1435337123 /nfs/dbraw/zinc/33/71/23/1435337123.db2.gz UDLSFDDFBFBPGB-UHFFFAOYSA-N 0 1 395.463 3.324 20 0 GGADMN COc1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1C1CC1 ZINC000277861376 1435337156 /nfs/dbraw/zinc/33/71/56/1435337156.db2.gz BVUUCAJFFFSGJE-UHFFFAOYSA-N 0 1 378.432 3.200 20 0 GGADMN CCc1nc(COc2ccc(C(=O)N[C@H](C)c3n[nH]c([C@H](C)CC)n3)cc2)no1 ZINC000277868569 1435337803 /nfs/dbraw/zinc/33/78/03/1435337803.db2.gz OLUACXDHCHSZCV-CHWSQXEVSA-N 0 1 398.467 3.334 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)n[nH]1 ZINC000277891305 1435339634 /nfs/dbraw/zinc/33/96/34/1435339634.db2.gz PTPNXVRJABXMEG-QWHCGFSZSA-N 0 1 399.524 3.051 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)n[nH]1 ZINC000277891301 1435339655 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Cc1cnccc1OC1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000278046462 1435353455 /nfs/dbraw/zinc/35/34/55/1435353455.db2.gz SQLDKIVMMOIBTM-GOSISDBHSA-N 0 1 388.537 3.307 20 0 GGADMN COc1coc(CNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1=O ZINC000278054672 1435354529 /nfs/dbraw/zinc/35/45/29/1435354529.db2.gz DQBPHJDQQSHWNB-UHFFFAOYSA-N 0 1 383.366 3.463 20 0 GGADMN C[C@H](c1nc(-c2cc(C(N)=O)c[nH]2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000278095440 1435358773 /nfs/dbraw/zinc/35/87/73/1435358773.db2.gz OWZWRQGSDDJNNE-CQSZACIVSA-N 0 1 379.464 3.179 20 0 GGADMN CCCCOCCOCc1cccc(-n2c(O)c(CC(F)(F)F)[nH]c2=O)c1 ZINC000278121392 1435361809 /nfs/dbraw/zinc/36/18/09/1435361809.db2.gz MDKBCUDCGPXJFL-OAHLLOKOSA-N 0 1 388.386 3.397 20 0 GGADMN CC(C)(C)OC(=O)N1CCc2cc(-n3c(O)c(CC(F)(F)F)[nH]c3=O)ccc21 ZINC000278121357 1435361840 /nfs/dbraw/zinc/36/18/40/1435361840.db2.gz MCWUKNCPMYBJLF-LBPRGKRZSA-N 0 1 399.369 3.361 20 0 GGADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000278126825 1435362162 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3.161 20 0 GGADMN O=C(COc1ccccc1CN[C@@H]1CCCc2occc21)NC[C@H]1CCCO1 ZINC000278253524 1435373587 /nfs/dbraw/zinc/37/35/87/1435373587.db2.gz MURNMSFUUBTZHG-IEBWSBKVSA-N 0 1 384.476 3.121 20 0 GGADMN O=C(COc1ccccc1CN[C@H]1CCCc2occc21)NC[C@H]1CCCO1 ZINC000278253531 1435373644 /nfs/dbraw/zinc/37/36/44/1435373644.db2.gz MURNMSFUUBTZHG-MJGOQNOKSA-N 0 1 384.476 3.121 20 0 GGADMN CCOc1c(Cl)cc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1OC ZINC000278287902 1435376569 /nfs/dbraw/zinc/37/65/69/1435376569.db2.gz BABUBALCAVLJQH-CQSZACIVSA-N 0 1 396.915 3.073 20 0 GGADMN Cc1ccc(-c2cncc(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)c2)cc1 ZINC000278310219 1435378569 /nfs/dbraw/zinc/37/85/69/1435378569.db2.gz CZHVPHYMKKLDHB-GOSISDBHSA-N 0 1 379.504 3.382 20 0 GGADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CCOCC1)NCc1cccnc1 ZINC000278311284 1435378576 /nfs/dbraw/zinc/37/85/76/1435378576.db2.gz MRTVCDUDWVBCBO-UHFFFAOYSA-N 0 1 393.409 3.012 20 0 GGADMN Cc1ccc(-c2nc(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)cs2)o1 ZINC000278322275 1435379846 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397.903 3.014 20 0 GGADMN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278351357 1435382741 /nfs/dbraw/zinc/38/27/41/1435382741.db2.gz DGMUJLUJYAHZSX-KRWDZBQOSA-N 0 1 379.504 3.382 20 0 GGADMN O=C(CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1)N1CCCCC1 ZINC000278353490 1435383118 /nfs/dbraw/zinc/38/31/18/1435383118.db2.gz MYWOHBYNSAFWAM-UHFFFAOYSA-N 0 1 386.414 3.193 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000278355353 1435383288 /nfs/dbraw/zinc/38/32/88/1435383288.db2.gz IFPYYRSFKSDFQQ-CQSZACIVSA-N 0 1 388.899 3.055 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000278359396 1435383611 /nfs/dbraw/zinc/38/36/11/1435383611.db2.gz DZKYEJSRBWRLPE-OAHLLOKOSA-N 0 1 377.554 3.298 20 0 GGADMN CC(C)Oc1cc(O)ccc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000278360462 1435383668 /nfs/dbraw/zinc/38/36/68/1435383668.db2.gz BHYRXIDSIRZMJO-UHFFFAOYSA-N 0 1 383.492 3.179 20 0 GGADMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)ns1 ZINC000278368151 1435384514 /nfs/dbraw/zinc/38/45/14/1435384514.db2.gz XSLCEWYTFHBKGL-UHFFFAOYSA-N 0 1 384.427 3.474 20 0 GGADMN Cc1cc(C(=O)CN2CCN(C3CCOCC3)C[C@H]2C)c(C)n1Cc1ccco1 ZINC000278371789 1435384895 /nfs/dbraw/zinc/38/48/95/1435384895.db2.gz BZZFUWHRNAWMJQ-GOSISDBHSA-N 0 1 399.535 3.114 20 0 GGADMN CN(C(=O)Cc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1)c1ccccc1 ZINC000278374625 1435385029 /nfs/dbraw/zinc/38/50/29/1435385029.db2.gz CDDOCKXUFGOPAP-OAQYLSRUSA-N 0 1 377.488 3.457 20 0 GGADMN O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278376550 1435385248 /nfs/dbraw/zinc/38/52/48/1435385248.db2.gz ISAMQTVZNWOYDN-AWEZNQCLSA-N 0 1 379.382 3.312 20 0 GGADMN Cc1[nH]ncc1CCCNC(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000278385353 1435386005 /nfs/dbraw/zinc/38/60/05/1435386005.db2.gz IGSJJTWNBYKFJM-UHFFFAOYSA-N 0 1 383.427 3.477 20 0 GGADMN Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(-c2cc(C)ccn2)n1 ZINC000278388289 1435386382 /nfs/dbraw/zinc/38/63/82/1435386382.db2.gz DPVABUKQODGZKX-KRWDZBQOSA-N 0 1 394.479 3.436 20 0 GGADMN C[C@@H](c1cccnc1)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278393688 1435386943 /nfs/dbraw/zinc/38/69/43/1435386943.db2.gz AWCBZTBWPVQWAH-HOCLYGCPSA-N 0 1 399.495 3.362 20 0 GGADMN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278401071 1435387576 /nfs/dbraw/zinc/38/75/76/1435387576.db2.gz KVOHPBWYRBUAII-SMDDNHRTSA-N 0 1 397.445 3.364 20 0 GGADMN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000278403789 1435388002 /nfs/dbraw/zinc/38/80/02/1435388002.db2.gz LBOQDOSLPCINHT-LLVKDONJSA-N 0 1 398.410 3.369 20 0 GGADMN COc1ccccc1[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N1CCCCC1 ZINC000278405348 1435388067 /nfs/dbraw/zinc/38/80/67/1435388067.db2.gz GIHJFEMFMADCTP-LJQANCHMSA-N 0 1 383.492 3.072 20 0 GGADMN CC(C)S(=O)(=O)CCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278417156 1435389281 /nfs/dbraw/zinc/38/92/81/1435389281.db2.gz SMJPELYPORELMC-UHFFFAOYSA-N 0 1 395.443 3.004 20 0 GGADMN Cc1cc(NC(=O)CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)on1 ZINC000278420732 1435389622 /nfs/dbraw/zinc/38/96/22/1435389622.db2.gz SVXVUPUFUOSCEV-UHFFFAOYSA-N 0 1 399.369 3.116 20 0 GGADMN CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278427397 1435390179 /nfs/dbraw/zinc/39/01/79/1435390179.db2.gz NSXPAWWLQIVKTJ-GFCCVEGCSA-N 0 1 397.445 3.236 20 0 GGADMN CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000278432681 1435390636 /nfs/dbraw/zinc/39/06/36/1435390636.db2.gz GYGRMLXSULINIQ-UHFFFAOYSA-N 0 1 383.492 3.179 20 0 GGADMN O=C([C@H]1COc2ccccc2C1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278442101 1435391177 /nfs/dbraw/zinc/39/11/77/1435391177.db2.gz PKQNGGVGKHXZSN-ZIAGYGMSSA-N 0 1 379.382 3.386 20 0 GGADMN O=C([C@@H]1COc2ccccc2C1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000278442096 1435391202 /nfs/dbraw/zinc/39/12/02/1435391202.db2.gz PKQNGGVGKHXZSN-KGLIPLIRSA-N 0 1 379.382 3.386 20 0 GGADMN COCCc1nc2cc(NS(=O)(=O)c3c(C)cc(C)cc3OC)ccc2o1 ZINC000278463897 1435392824 /nfs/dbraw/zinc/39/28/24/1435392824.db2.gz FSNYHBMEGBYEFZ-UHFFFAOYSA-N 0 1 390.461 3.443 20 0 GGADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2ccccc2c(=O)o1 ZINC000278464473 1435392875 /nfs/dbraw/zinc/39/28/75/1435392875.db2.gz VYGPQKOBHGNENP-UHFFFAOYSA-N 0 1 378.428 3.002 20 0 GGADMN CN(C)[C@H](CNC(=O)NCc1nc(-c2cccc(F)c2)no1)c1cccs1 ZINC000278483111 1435394114 /nfs/dbraw/zinc/39/41/14/1435394114.db2.gz KIGHFRKKLXTTMX-CQSZACIVSA-N 0 1 389.456 3.039 20 0 GGADMN CCCOc1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1OCC ZINC000278490066 1435394712 /nfs/dbraw/zinc/39/47/12/1435394712.db2.gz LXUANGYFVQRCRA-QGZVFWFLSA-N 0 1 390.524 3.199 20 0 GGADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)[C@@H](C)C1 ZINC000278501505 1435395234 /nfs/dbraw/zinc/39/52/34/1435395234.db2.gz CURZFGJAYVFASM-DLBZAZTESA-N 0 1 375.513 3.065 20 0 GGADMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)[C@@H](C)C1 ZINC000278501511 1435395253 /nfs/dbraw/zinc/39/52/53/1435395253.db2.gz CURZFGJAYVFASM-IRXDYDNUSA-N 0 1 375.513 3.065 20 0 GGADMN COC(=O)C1CCC(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)CC1 ZINC000278515288 1435396372 /nfs/dbraw/zinc/39/63/72/1435396372.db2.gz YAEBHOZMCFIIBS-WXRRBKDZSA-N 0 1 387.402 3.114 20 0 GGADMN O=C(COc1ccccc1CNCc1cc(Cl)cs1)NC[C@H]1CCCO1 ZINC000278528184 1435397396 /nfs/dbraw/zinc/39/73/96/1435397396.db2.gz RGTRRIBTLDIFMU-MRXNPFEDSA-N 0 1 394.924 3.365 20 0 GGADMN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)c1 ZINC000278537543 1435398008 /nfs/dbraw/zinc/39/80/08/1435398008.db2.gz SPNMUGLGTRYZFY-UHFFFAOYSA-N 0 1 395.467 3.129 20 0 GGADMN CC(=O)Nc1ccc(CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)cn1 ZINC000278545145 1435398840 /nfs/dbraw/zinc/39/88/40/1435398840.db2.gz ANVQSECCRQUQFU-UHFFFAOYSA-N 0 1 385.418 3.411 20 0 GGADMN CCN(C(C)=O)c1nc(CN[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cs1 ZINC000278551803 1435399496 /nfs/dbraw/zinc/39/94/96/1435399496.db2.gz ZDZXIDFEZDFFGS-ZFWWWQNUSA-N 0 1 396.557 3.394 20 0 GGADMN COc1ccc(-c2cc(C(=O)N3CCC(Oc4ncccc4F)CC3)n[nH]2)cc1 ZINC000278567300 1435400918 /nfs/dbraw/zinc/40/09/18/1435400918.db2.gz RDPCPHLXXZYGFP-UHFFFAOYSA-N 0 1 396.422 3.303 20 0 GGADMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000278582725 1435402445 /nfs/dbraw/zinc/40/24/45/1435402445.db2.gz PACYAYVLFXENEF-UHFFFAOYSA-N 0 1 378.469 3.124 20 0 GGADMN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCCN1C1CC1 ZINC000278607630 1435404798 /nfs/dbraw/zinc/40/47/98/1435404798.db2.gz JEFNOOXNQILCCE-OAQYLSRUSA-N 0 1 387.487 3.177 20 0 GGADMN C[C@@H](c1ccncc1)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278621155 1435406731 /nfs/dbraw/zinc/40/67/31/1435406731.db2.gz KAYLTZFIBVZCMV-GOEBONIOSA-N 0 1 399.495 3.362 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(O[C@H]4CCOC4)cc3)C1)CCCC2 ZINC000278642905 1435409184 /nfs/dbraw/zinc/40/91/84/1435409184.db2.gz DZGYLFVCBGLSLL-ICSRJNTNSA-N 0 1 395.503 3.325 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(O[C@@H]4CCOC4)cc3)C1)CCCC2 ZINC000278642900 1435409285 /nfs/dbraw/zinc/40/92/85/1435409285.db2.gz DZGYLFVCBGLSLL-AZUAARDMSA-N 0 1 395.503 3.325 20 0 GGADMN Cc1cc([C@H](C)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(C)o1 ZINC000278646384 1435409551 /nfs/dbraw/zinc/40/95/51/1435409551.db2.gz HVVUFSFIOIZHIY-MAUKXSAKSA-N 0 1 392.521 3.205 20 0 GGADMN Cc1cc([C@@H](C)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(C)o1 ZINC000278646394 1435409620 /nfs/dbraw/zinc/40/96/20/1435409620.db2.gz HVVUFSFIOIZHIY-QAPCUYQASA-N 0 1 392.521 3.205 20 0 GGADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3nnn(CC4CCCC4)c3C)C1)CCCC2 ZINC000278650626 1435410194 /nfs/dbraw/zinc/41/01/94/1435410194.db2.gz FVDDXQPYOVJWIR-SFHVURJKSA-N 0 1 396.539 3.248 20 0 GGADMN CCCN(CC(F)F)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278668640 1435412208 /nfs/dbraw/zinc/41/22/08/1435412208.db2.gz NCVJRUOFBFDKEK-GFCCVEGCSA-N 0 1 386.443 3.251 20 0 GGADMN CSc1cc(C)ccc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278669052 1435412294 /nfs/dbraw/zinc/41/22/94/1435412294.db2.gz NEJUYXBYLGLZKC-MRXNPFEDSA-N 0 1 377.554 3.112 20 0 GGADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000278671067 1435412617 /nfs/dbraw/zinc/41/26/17/1435412617.db2.gz PSTDNKNSFPZAOO-UHFFFAOYSA-N 0 1 394.401 3.186 20 0 GGADMN COc1ccccc1-c1cccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000278678371 1435413420 /nfs/dbraw/zinc/41/34/20/1435413420.db2.gz RLVRAGRJKGPWII-DLBZAZTESA-N 0 1 383.492 3.281 20 0 GGADMN CCN(CC(F)(F)F)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000278679071 1435413466 /nfs/dbraw/zinc/41/34/66/1435413466.db2.gz NURWMGQSSZKMSX-LLVKDONJSA-N 0 1 390.406 3.159 20 0 GGADMN C[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1c[nH]c2ccccc21 ZINC000278716007 1435416636 /nfs/dbraw/zinc/41/66/36/1435416636.db2.gz HAAVZWAJVMTGNJ-KRWDZBQOSA-N 0 1 391.519 3.125 20 0 GGADMN CC(=O)Nc1ccc(CNCc2c(C)nn(Cc3ccc(C)cc3)c2C)cn1 ZINC000278722085 1435417199 /nfs/dbraw/zinc/41/71/99/1435417199.db2.gz SYAPZEMKTPRMDU-UHFFFAOYSA-N 0 1 377.492 3.500 20 0 GGADMN COC(C)(C)CC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000278755295 1435420177 /nfs/dbraw/zinc/42/01/77/1435420177.db2.gz QMBIGNJWIJCEQH-UHFFFAOYSA-N 0 1 396.535 3.200 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c(=O)c2c1 ZINC000278759353 1435420834 /nfs/dbraw/zinc/42/08/34/1435420834.db2.gz FWBHTMSWJWBMIW-UHFFFAOYSA-N 0 1 395.503 3.360 20 0 GGADMN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000278787682 1435423429 /nfs/dbraw/zinc/42/34/29/1435423429.db2.gz PYFBJTBZAGJIHQ-CQSZACIVSA-N 0 1 392.956 3.472 20 0 GGADMN CCn1nccc1C1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000278805856 1435425371 /nfs/dbraw/zinc/42/53/71/1435425371.db2.gz PZGJQLMIZXKVMH-IBGZPJMESA-N 0 1 385.512 3.222 20 0 GGADMN CN(CCNC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC000278805310 1435425456 /nfs/dbraw/zinc/42/54/56/1435425456.db2.gz SQQGEBHOYXUTFZ-UHFFFAOYSA-N 0 1 391.531 3.095 20 0 GGADMN Cc1ccc2[nH]cc(C(=O)N3CCC(c4nncn4C4CC4)CC3)c(=O)c2c1 ZINC000278811244 1435425741 /nfs/dbraw/zinc/42/57/41/1435425741.db2.gz IDONCWFBAZYKBH-UHFFFAOYSA-N 0 1 377.448 3.195 20 0 GGADMN CN(CCCCCO)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000278812646 1435426064 /nfs/dbraw/zinc/42/60/64/1435426064.db2.gz GTICNHKLCREJRQ-INIZCTEOSA-N 0 1 375.494 3.113 20 0 GGADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000278826738 1435427597 /nfs/dbraw/zinc/42/75/97/1435427597.db2.gz JELSNFFYZZXTPQ-HNNXBMFYSA-N 0 1 378.463 3.098 20 0 GGADMN CCCOc1c(Cl)cc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1OC ZINC000278825487 1435427649 /nfs/dbraw/zinc/42/76/49/1435427649.db2.gz ZYRSXNMFCGLHPE-IRXDYDNUSA-N 0 1 393.915 3.079 20 0 GGADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)CCCCCO)c1 ZINC000278835929 1435428716 /nfs/dbraw/zinc/42/87/16/1435428716.db2.gz IVAYUZSLCOPQHF-UHFFFAOYSA-N 0 1 383.492 3.280 20 0 GGADMN Cn1ccnc(N2CCC[C@@H](N[C@@H]3CC4(CCCC4)Oc4ccccc43)C2)c1=O ZINC000278860860 1435432164 /nfs/dbraw/zinc/43/21/64/1435432164.db2.gz AXGNIFOSZAZDCS-IEBWSBKVSA-N 0 1 394.519 3.175 20 0 GGADMN Cc1ccc([C@H](CNC(=O)Nc2cc([C@H]3CCCO3)nn2C)N2CCCC2)o1 ZINC000278884321 1435435119 /nfs/dbraw/zinc/43/51/19/1435435119.db2.gz DOBBNAAIKPZLMQ-DLBZAZTESA-N 0 1 387.484 3.132 20 0 GGADMN CCn1nccc1C1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000278891311 1435436201 /nfs/dbraw/zinc/43/62/01/1435436201.db2.gz OEPRQYIWNKSMEJ-APWZRJJASA-N 0 1 382.508 3.111 20 0 GGADMN CCn1nccc1C1CCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000278891320 1435436266 /nfs/dbraw/zinc/43/62/66/1435436266.db2.gz OEPRQYIWNKSMEJ-QFBILLFUSA-N 0 1 382.508 3.111 20 0 GGADMN CC[C@H]1CN(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)CCN1Cc1ccccc1 ZINC000278896016 1435436802 /nfs/dbraw/zinc/43/68/02/1435436802.db2.gz FKIGOBYQCLQMHF-ICSRJNTNSA-N 0 1 397.523 3.400 20 0 GGADMN CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000278917694 1435439683 /nfs/dbraw/zinc/43/96/83/1435439683.db2.gz IAOCDPSHVHKAHK-OAHLLOKOSA-N 0 1 389.500 3.033 20 0 GGADMN CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000278917685 1435439782 /nfs/dbraw/zinc/43/97/82/1435439782.db2.gz IAOCDPSHVHKAHK-HNNXBMFYSA-N 0 1 389.500 3.033 20 0 GGADMN CCNC(=O)Nc1ccc(C)c(NC(=O)NCCN2CCc3ccccc3C2)c1 ZINC000278937384 1435441980 /nfs/dbraw/zinc/44/19/80/1435441980.db2.gz NECLJIFVIUZOEI-UHFFFAOYSA-N 0 1 395.507 3.316 20 0 GGADMN CCSCc1ccccc1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000278939834 1435442400 /nfs/dbraw/zinc/44/24/00/1435442400.db2.gz BZEANUFZADCFHX-UHFFFAOYSA-N 0 1 384.549 3.017 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c[nH]nc1-c1ccoc1 ZINC000278943626 1435443050 /nfs/dbraw/zinc/44/30/50/1435443050.db2.gz DEXIFQJPBBSOEV-UHFFFAOYSA-N 0 1 395.463 3.073 20 0 GGADMN COc1cc(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc(OC)c1O ZINC000278950614 1435444393 /nfs/dbraw/zinc/44/43/93/1435444393.db2.gz CYVTVCGWDADOTD-MRXNPFEDSA-N 0 1 397.431 3.318 20 0 GGADMN Cn1nc([C@H]2CCCO2)cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000278955013 1435444805 /nfs/dbraw/zinc/44/48/05/1435444805.db2.gz KBKDGTVDAUTBHE-IAGOWNOFSA-N 0 1 387.484 3.213 20 0 GGADMN Cc1cc(C(=O)CCC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c(C)s1 ZINC000278962752 1435445888 /nfs/dbraw/zinc/44/58/88/1435445888.db2.gz AXVORAMHXVPOOJ-AWEZNQCLSA-N 0 1 378.538 3.040 20 0 GGADMN CN(CCCCCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000278967018 1435446420 /nfs/dbraw/zinc/44/64/20/1435446420.db2.gz XLCVVJFKYHJYTC-UHFFFAOYSA-N 0 1 387.455 3.111 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000278969651 1435446749 /nfs/dbraw/zinc/44/67/49/1435446749.db2.gz LDTCMQMVPNLHJY-NRFANRHFSA-N 0 1 395.503 3.167 20 0 GGADMN CC(C)(C)C(=O)NC1CCC(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000278987062 1435448960 /nfs/dbraw/zinc/44/89/60/1435448960.db2.gz PPSWTHIOHOEMOT-UHFFFAOYSA-N 0 1 399.579 3.442 20 0 GGADMN O=C(CCc1ccc(=O)[nH]c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000278988917 1435449385 /nfs/dbraw/zinc/44/93/85/1435449385.db2.gz JGGRCGKFLURGNY-KRWDZBQOSA-N 0 1 393.409 3.129 20 0 GGADMN COC[C@@H](NCc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)[C@H]1CCCO1 ZINC000279003616 1435450783 /nfs/dbraw/zinc/45/07/83/1435450783.db2.gz DBZUOYTXBYVEQZ-NHCUHLMSSA-N 0 1 389.517 3.111 20 0 GGADMN Cc1ccc(NC(=O)N2CCN(C3CCC3)CC2)cc1C(=O)N1CCCCC1 ZINC000279023142 1435453196 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C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nc(C3CCC3)cs2)CN1Cc1ccccc1 ZINC000279221392 1435473194 /nfs/dbraw/zinc/47/31/94/1435473194.db2.gz NJGOKIFQINSREO-PBHICJAKSA-N 0 1 398.532 3.128 20 0 GGADMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)C1(c2ccc(F)cc2)CCOCC1 ZINC000279230124 1435474331 /nfs/dbraw/zinc/47/43/31/1435474331.db2.gz OWDPQTUDRDHQED-UHFFFAOYSA-N 0 1 384.386 3.437 20 0 GGADMN CSc1nc(C)c(CCC(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c(C)n1 ZINC000279230090 1435474382 /nfs/dbraw/zinc/47/43/82/1435474382.db2.gz OUZCOUFXPMBKIT-UHFFFAOYSA-N 0 1 386.456 3.311 20 0 GGADMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CCN(CC(F)(F)F)C3)[nH]c2c1 ZINC000279230701 1435474516 /nfs/dbraw/zinc/47/45/16/1435474516.db2.gz DTBRCJZZSLXCQY-CZUORRHYSA-N 0 1 380.414 3.419 20 0 GGADMN CC(C)n1ncnc1COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000279239591 1435475662 /nfs/dbraw/zinc/47/56/62/1435475662.db2.gz QFHONMSXPWMVSK-GOSISDBHSA-N 0 1 396.413 3.357 20 0 GGADMN CC(C)n1ncnc1COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000279239595 1435475731 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ZINC000279464285 1435502357 /nfs/dbraw/zinc/50/23/57/1435502357.db2.gz CVPOGDNKAKPGSZ-IFMALSPDSA-N 0 1 389.540 3.169 20 0 GGADMN C[C@H]1CN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC2(CCOCC2)O1 ZINC000279474256 1435503247 /nfs/dbraw/zinc/50/32/47/1435503247.db2.gz GJSQLEAIAKPXEJ-NSHDSACASA-N 0 1 380.395 3.302 20 0 GGADMN Cc1ccc(CN[C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)c(=O)n1C ZINC000279524198 1435509531 /nfs/dbraw/zinc/50/95/31/1435509531.db2.gz OQJZOJVNHBWHPD-OALUTQOASA-N 0 1 383.492 3.494 20 0 GGADMN C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(CN(C)Cc3ccccc3)c1)CCO2 ZINC000279556311 1435512739 /nfs/dbraw/zinc/51/27/39/1435512739.db2.gz UCXFCNBXRQCVPS-CYFREDJKSA-N 0 1 394.515 3.339 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)N1CCC(c2ccnn2CC)CC1)c1ccco1 ZINC000279560149 1435512993 /nfs/dbraw/zinc/51/29/93/1435512993.db2.gz SCWKTDCCLQWVLB-IBGZPJMESA-N 0 1 387.528 3.468 20 0 GGADMN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1CCCN1C1CC1 ZINC000279571889 1435514541 /nfs/dbraw/zinc/51/45/41/1435514541.db2.gz SYEOTSQIVNONGR-LJQANCHMSA-N 0 1 385.489 3.053 20 0 GGADMN NC(=O)c1ccc(C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C2CC2)cc1 ZINC000279594371 1435517130 /nfs/dbraw/zinc/51/71/30/1435517130.db2.gz HWKPZEPQXANFNT-UHFFFAOYSA-N 0 1 381.867 3.184 20 0 GGADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000279602451 1435517760 /nfs/dbraw/zinc/51/77/60/1435517760.db2.gz WKSCZCDIWCKHTD-UTUOFQBUSA-N 0 1 394.463 3.021 20 0 GGADMN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)CC(=O)Nc3cccc(F)c3)n2)c1 ZINC000279606558 1435518352 /nfs/dbraw/zinc/51/83/52/1435518352.db2.gz WVUJCGOHBUXKQF-ZIAGYGMSSA-N 0 1 382.443 3.382 20 0 GGADMN COCCOC1CCC(C(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000279623411 1435520285 /nfs/dbraw/zinc/52/02/85/1435520285.db2.gz BBAAWSWFGOXZMG-UHFFFAOYSA-N 0 1 392.565 3.396 20 0 GGADMN COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1 ZINC000279626717 1435520626 /nfs/dbraw/zinc/52/06/26/1435520626.db2.gz YUBOALUZFIOJMZ-CABCVRRESA-N 0 1 394.479 3.252 20 0 GGADMN COc1cccc([C@H](CNC(=O)N2CCC[C@](C)(OC)CC2)N2CCCC2)c1 ZINC000279635438 1435521770 /nfs/dbraw/zinc/52/17/70/1435521770.db2.gz LIZXUWRFERBBLQ-UNMCSNQZSA-N 0 1 389.540 3.433 20 0 GGADMN Cc1ccc(-c2noc(CCCN3C[C@H](C)OC4(CCOCC4)C3)n2)cc1F ZINC000279643577 1435522790 /nfs/dbraw/zinc/52/27/90/1435522790.db2.gz BBBUWBZOPMJNRN-INIZCTEOSA-N 0 1 389.471 3.387 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000279653183 1435524089 /nfs/dbraw/zinc/52/40/89/1435524089.db2.gz RCKXAKHPLASKCH-PBHICJAKSA-N 0 1 380.423 3.401 20 0 GGADMN CC[C@H](CSC)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279657405 1435524800 /nfs/dbraw/zinc/52/48/00/1435524800.db2.gz BZYFLEVTAFWBGK-ZIAGYGMSSA-N 0 1 396.557 3.348 20 0 GGADMN CC[C@H](CSC)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000279657399 1435524948 /nfs/dbraw/zinc/52/49/48/1435524948.db2.gz BZYFLEVTAFWBGK-UONOGXRCSA-N 0 1 396.557 3.348 20 0 GGADMN O=S1(=O)CC[C@H](CN2CCC(COc3ccccc3C(F)(F)F)CC2)C1 ZINC000279680622 1435528638 /nfs/dbraw/zinc/52/86/38/1435528638.db2.gz GNUDOJADSUQKTC-OAHLLOKOSA-N 0 1 391.455 3.231 20 0 GGADMN CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000279691388 1435530583 /nfs/dbraw/zinc/53/05/83/1435530583.db2.gz HZJDPUYKCUDDAW-UHFFFAOYSA-N 0 1 379.495 3.390 20 0 GGADMN CN(C)C(=O)Nc1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000279715223 1435534030 /nfs/dbraw/zinc/53/40/30/1435534030.db2.gz UESDCVRNACSKJN-GOSISDBHSA-N 0 1 399.495 3.009 20 0 GGADMN Cc1cccc(CCNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)n1 ZINC000279728971 1435535972 /nfs/dbraw/zinc/53/59/72/1435535972.db2.gz YITFNDPOOKBSLJ-KRWDZBQOSA-N 0 1 394.519 3.048 20 0 GGADMN CCc1nc([C@@H](C)NC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)n[nH]1 ZINC000279735961 1435536671 /nfs/dbraw/zinc/53/66/71/1435536671.db2.gz SKNOBIULYWOTJR-SECBINFHSA-N 0 1 375.433 3.216 20 0 GGADMN CN1CC[C@H](CNC(=O)CCc2ccc(=O)[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279755607 1435538656 /nfs/dbraw/zinc/53/86/56/1435538656.db2.gz DKAPATBOUILEQM-QRWLVFNGSA-N 0 1 391.874 3.322 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000279759883 1435539209 /nfs/dbraw/zinc/53/92/09/1435539209.db2.gz RBCUYFAGULAHGE-PMACEKPBSA-N 0 1 385.895 3.456 20 0 GGADMN O=C(NCc1nc(CN[C@H]2[C@H]3CCO[C@H]3C23CCC3)cs1)c1ccccc1 ZINC000279758685 1435539329 /nfs/dbraw/zinc/53/93/29/1435539329.db2.gz QYKRVWFBDRIILO-NZSAHSFTSA-N 0 1 383.517 3.120 20 0 GGADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](COC)c1ccc(Cl)cc1 ZINC000279759885 1435539361 /nfs/dbraw/zinc/53/93/61/1435539361.db2.gz RBCUYFAGULAHGE-VQTJNVASSA-N 0 1 385.895 3.456 20 0 GGADMN CC(=O)N1CCC[C@@H](CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)C1 ZINC000279783066 1435542437 /nfs/dbraw/zinc/54/24/37/1435542437.db2.gz JEKVGVMQHRINML-AWEZNQCLSA-N 0 1 382.489 3.280 20 0 GGADMN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N1CC[C@@H](N2CC=CC2)C1 ZINC000279791010 1435544011 /nfs/dbraw/zinc/54/40/11/1435544011.db2.gz YBFPLKOIQJGJOX-GFCCVEGCSA-N 0 1 393.875 3.476 20 0 GGADMN COc1cc(CNCC2(S(C)(=O)=O)CCC2)ccc1OCc1cccs1 ZINC000279793223 1435544176 /nfs/dbraw/zinc/54/41/76/1435544176.db2.gz MNKUTPWBZFJOBM-UHFFFAOYSA-N 0 1 395.546 3.393 20 0 GGADMN O=C(c1ccnn1CC(F)F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000279803893 1435545229 /nfs/dbraw/zinc/54/52/29/1435545229.db2.gz SYGZGBYLPYAVFT-CQSZACIVSA-N 0 1 392.454 3.334 20 0 GGADMN O=C(c1ccnn1CC(F)F)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000279803883 1435545299 /nfs/dbraw/zinc/54/52/99/1435545299.db2.gz SYGZGBYLPYAVFT-AWEZNQCLSA-N 0 1 392.454 3.334 20 0 GGADMN COc1cc(-c2noc(C[N@H+]3CCCC[C@H]3C[C@H](C)O)n2)ccc1OC(F)F ZINC000279809425 1435545978 /nfs/dbraw/zinc/54/59/78/1435545978.db2.gz PTMBCELUHDZDMM-JSGCOSHPSA-N 0 1 397.422 3.472 20 0 GGADMN COc1cc(-c2noc(CN3CCCC[C@H]3C[C@H](C)O)n2)ccc1OC(F)F ZINC000279809425 1435545981 /nfs/dbraw/zinc/54/59/81/1435545981.db2.gz PTMBCELUHDZDMM-JSGCOSHPSA-N 0 1 397.422 3.472 20 0 GGADMN CS(=O)(=O)C1(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000279871606 1435555959 /nfs/dbraw/zinc/55/59/59/1435555959.db2.gz TZYXQUSMEFOKOJ-UHFFFAOYSA-N 0 1 395.528 3.265 20 0 GGADMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000279909045 1435561813 /nfs/dbraw/zinc/56/18/13/1435561813.db2.gz WOMLGVVKQXXJMR-DLBZAZTESA-N 0 1 385.508 3.445 20 0 GGADMN CCc1c(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)nnn1Cc1ccc(F)cc1 ZINC000279912726 1435562040 /nfs/dbraw/zinc/56/20/40/1435562040.db2.gz PVJNJLXYJRLCQH-UHFFFAOYSA-N 0 1 396.470 3.079 20 0 GGADMN Cc1ccc(C(=O)NCCN2CC=CCC2)cc1NC(=O)c1ccccc1F ZINC000279934596 1435565812 /nfs/dbraw/zinc/56/58/12/1435565812.db2.gz HDYBNRVRZFMQIM-UHFFFAOYSA-N 0 1 381.451 3.378 20 0 GGADMN COc1cc2c(cc1OC)[C@@H](NCc1cc(F)ccc1N1CCOCC1)CC2 ZINC000279932895 1435565949 /nfs/dbraw/zinc/56/59/49/1435565949.db2.gz ATSGDPRXJQFGSK-IBGZPJMESA-N 0 1 386.467 3.457 20 0 GGADMN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000279935462 1435566217 /nfs/dbraw/zinc/56/62/17/1435566217.db2.gz REOAUSFMSSZJPI-FXAWDEMLSA-N 0 1 382.508 3.272 20 0 GGADMN COc1cc2c(cc1OC)[C@H]([NH2+]Cc1nnc(COc3ccccc3)[n-]1)CC2 ZINC000279942903 1435567121 /nfs/dbraw/zinc/56/71/21/1435567121.db2.gz BHUNCDHTNFBYAD-QGZVFWFLSA-N 0 1 380.448 3.178 20 0 GGADMN COc1ccc(CN2CC[C@@H](N[C@@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1 ZINC000279952166 1435568638 /nfs/dbraw/zinc/56/86/38/1435568638.db2.gz BVDSBZACMYSWBS-WOJBJXKFSA-N 0 1 396.487 3.090 20 0 GGADMN COc1ccc(CN2CC[C@H](N[C@@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1 ZINC000279952156 1435568692 /nfs/dbraw/zinc/56/86/92/1435568692.db2.gz BVDSBZACMYSWBS-UXHICEINSA-N 0 1 396.487 3.090 20 0 GGADMN Cc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000279957212 1435569257 /nfs/dbraw/zinc/56/92/57/1435569257.db2.gz PFIMPEOWHYXKEO-GOSISDBHSA-N 0 1 378.480 3.492 20 0 GGADMN COc1cccc([C@@H](CNC(=O)c2cc3nccnc3cc2F)N2CCCC2)c1 ZINC000279958038 1435569299 /nfs/dbraw/zinc/56/92/99/1435569299.db2.gz MLHAYDITADYXJX-OAQYLSRUSA-N 0 1 394.450 3.344 20 0 GGADMN COc1cc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c(C)cc1C ZINC000280002121 1435575012 /nfs/dbraw/zinc/57/50/12/1435575012.db2.gz SDKJFLYUSZUNPP-UHFFFAOYSA-N 0 1 378.450 3.080 20 0 GGADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc4nccnc4cc3F)C1)CCCC2 ZINC000280002005 1435575296 /nfs/dbraw/zinc/57/52/96/1435575296.db2.gz LHHCUIBJAGNNLT-CQSZACIVSA-N 0 1 379.439 3.240 20 0 GGADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(C2CC2)cnc1Cl ZINC000280023301 1435578486 /nfs/dbraw/zinc/57/84/86/1435578486.db2.gz UINYWRYCZHZFDI-PXNSSMCTSA-N 0 1 399.922 3.225 20 0 GGADMN O=C(NC1CC1)c1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280024673 1435578754 /nfs/dbraw/zinc/57/87/54/1435578754.db2.gz UFHHUAHREPOLQQ-UHFFFAOYSA-N 0 1 381.867 3.103 20 0 GGADMN O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000280026600 1435579378 /nfs/dbraw/zinc/57/93/78/1435579378.db2.gz VSHPQIKJXXDOPD-HNNXBMFYSA-N 0 1 382.386 3.270 20 0 GGADMN COc1cc2c(cc1OC)[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000280046279 1435582633 /nfs/dbraw/zinc/58/26/33/1435582633.db2.gz JHVBYYAJRDDGJP-FZKQIMNGSA-N 0 1 375.490 3.445 20 0 GGADMN CCN(CC)[C@@H](C(=O)Nc1ccc(OCC(=O)NC)cc1C)c1ccccc1 ZINC000280069546 1435586659 /nfs/dbraw/zinc/58/66/59/1435586659.db2.gz ZYUFUXYNNWCXRR-OAQYLSRUSA-N 0 1 383.492 3.141 20 0 GGADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000280111809 1435594228 /nfs/dbraw/zinc/59/42/28/1435594228.db2.gz UNJGXUKDQWZBDN-IRXDYDNUSA-N 0 1 375.538 3.231 20 0 GGADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000280149169 1435599842 /nfs/dbraw/zinc/59/98/42/1435599842.db2.gz ASUGMKOEUNSDCG-FUHWJXTLSA-N 0 1 387.446 3.255 20 0 GGADMN CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280155803 1435600716 /nfs/dbraw/zinc/60/07/16/1435600716.db2.gz AOWNPVLCTGZMQK-HZPDHXFCSA-N 0 1 396.944 3.100 20 0 GGADMN COc1ccc(CN(CCc2ccccn2)C(=O)CCCCc2cn[nH]n2)cc1 ZINC000280186094 1435605057 /nfs/dbraw/zinc/60/50/57/1435605057.db2.gz LXBGRUKCGNVSDA-UHFFFAOYSA-N 0 1 393.491 3.193 20 0 GGADMN C[C@H]1OCC[C@@]12CN(C(=O)c1cccc3[nH]c(-c4cccs4)nc31)CCO2 ZINC000280189491 1435605928 /nfs/dbraw/zinc/60/59/28/1435605928.db2.gz VVHMPPYPDUEHLL-ZUOKHONESA-N 0 1 383.473 3.311 20 0 GGADMN Cc1nc2ccccc2n1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000280212155 1435609869 /nfs/dbraw/zinc/60/98/69/1435609869.db2.gz KFFRFJWCVTZVSR-UHFFFAOYSA-N 0 1 379.489 3.251 20 0 GGADMN CCS(=O)(=O)c1ccc(CN[C@@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000280218880 1435611124 /nfs/dbraw/zinc/61/11/24/1435611124.db2.gz UPKKXMFWFAUMFQ-GOSISDBHSA-N 0 1 375.490 3.275 20 0 GGADMN C[C@@]1(O)CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000280225380 1435612895 /nfs/dbraw/zinc/61/28/95/1435612895.db2.gz VUKUWCHZCPBXGB-HXUWFJFHSA-N 0 1 387.505 3.176 20 0 GGADMN C[C@@]1(O)CCCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000280239301 1435615781 /nfs/dbraw/zinc/61/57/81/1435615781.db2.gz WNUPIFFIPLSPPR-VQTJNVASSA-N 0 1 376.497 3.330 20 0 GGADMN Cc1ccc([C@@H]2CCN(CC(=O)Nc3ccccc3SCC(N)=O)C2)c(C)c1 ZINC000280275381 1435623996 /nfs/dbraw/zinc/62/39/96/1435623996.db2.gz DFWVESBPDWLMTE-QGZVFWFLSA-N 0 1 397.544 3.309 20 0 GGADMN COc1ccccc1[C@H](CNC(=O)Cc1ccc2n[nH]cc2c1)N1CCCC1 ZINC000280279851 1435624713 /nfs/dbraw/zinc/62/47/13/1435624713.db2.gz NYCJAFRLDYCOBN-FQEVSTJZSA-N 0 1 378.476 3.067 20 0 GGADMN O=C1CCCN1C[C@H](NCc1ccc(Cl)cc1-n1cncn1)c1ccccc1 ZINC000280311692 1435632367 /nfs/dbraw/zinc/63/23/67/1435632367.db2.gz XCDPDTNFZHTFKJ-IBGZPJMESA-N 0 1 395.894 3.374 20 0 GGADMN Cn1cc([C@@H]2CN(Cc3cc(Cl)ccc3OCC3CC3)C[C@H]2CO)cn1 ZINC000280316270 1435633931 /nfs/dbraw/zinc/63/39/31/1435633931.db2.gz XQHAQZRIHZCEDR-HKUYNNGSSA-N 0 1 375.900 3.070 20 0 GGADMN CC(C)CC[C@@H](O)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000280371437 1435646652 /nfs/dbraw/zinc/64/66/52/1435646652.db2.gz DSWDVGMSSJACNT-QGZVFWFLSA-N 0 1 392.569 3.145 20 0 GGADMN C[C@]1(NCc2nccn2CC(F)(F)F)CCN(C(=O)OCc2ccccc2)C1 ZINC000280409963 1435655551 /nfs/dbraw/zinc/65/55/51/1435655551.db2.gz YLSWIWXGQXIKKY-SFHVURJKSA-N 0 1 396.413 3.336 20 0 GGADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc4n[nH]cc4c3)cc2)C[C@@H](C)O1 ZINC000280430131 1435659518 /nfs/dbraw/zinc/65/95/18/1435659518.db2.gz XLBWPLIJQITBCX-IAGOWNOFSA-N 0 1 392.503 3.031 20 0 GGADMN COc1ccc(CN2CCCN(C(=O)C(C)(C)c3c(C)noc3C)CC2)cc1 ZINC000280480340 1435667622 /nfs/dbraw/zinc/66/76/22/1435667622.db2.gz HIMZAIYEYBLIKJ-UHFFFAOYSA-N 0 1 385.508 3.312 20 0 GGADMN O=C1O[C@H](CN[C@H](CO)c2ccccc2OC(F)(F)F)CN1c1ccccc1 ZINC000280490663 1435668912 /nfs/dbraw/zinc/66/89/12/1435668912.db2.gz MEEXUSJGAWRNCH-GDBMZVCRSA-N 0 1 396.365 3.234 20 0 GGADMN C[C@@H](c1nc(-c2cccnc2)no1)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000280499941 1435670265 /nfs/dbraw/zinc/67/02/65/1435670265.db2.gz BEFAZLDYWVQCNE-DOTOQJQBSA-N 0 1 377.448 3.178 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000280506048 1435670992 /nfs/dbraw/zinc/67/09/92/1435670992.db2.gz AAHRUNZPWJKFLU-OAHLLOKOSA-N 0 1 393.553 3.183 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000280506044 1435671018 /nfs/dbraw/zinc/67/10/18/1435671018.db2.gz AAHRUNZPWJKFLU-HNNXBMFYSA-N 0 1 393.553 3.183 20 0 GGADMN CC(C)CNC(=O)c1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)cc1Cl ZINC000280507526 1435671074 /nfs/dbraw/zinc/67/10/74/1435671074.db2.gz JOFUBHKWVVMCGA-UHFFFAOYSA-N 0 1 378.904 3.109 20 0 GGADMN CC(C)CNC(=O)c1ccc(NC(=O)NCCN2CC=CCC2)cc1Cl ZINC000280507526 1435671079 /nfs/dbraw/zinc/67/10/79/1435671079.db2.gz JOFUBHKWVVMCGA-UHFFFAOYSA-N 0 1 378.904 3.109 20 0 GGADMN C[C@H]1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C[C@]2(CCOC2)O1 ZINC000280515325 1435672381 /nfs/dbraw/zinc/67/23/81/1435672381.db2.gz LSLPDCKGECAJIW-RBZFPXEDSA-N 0 1 383.473 3.311 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)n[nH]1 ZINC000280522117 1435672956 /nfs/dbraw/zinc/67/29/56/1435672956.db2.gz ODOHURQYLPXTIE-VXGBXAGGSA-N 0 1 388.472 3.087 20 0 GGADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000280539294 1435675852 /nfs/dbraw/zinc/67/58/52/1435675852.db2.gz VCMPZJBMTSNDEM-WMLDXEAASA-N 0 1 380.423 3.401 20 0 GGADMN CCn1cc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C(F)(F)F)n1 ZINC000280543467 1435676708 /nfs/dbraw/zinc/67/67/08/1435676708.db2.gz IHXSJJZVQCQJCD-CYBMUJFWSA-N 0 1 380.414 3.098 20 0 GGADMN CO[C@@]1(C)CCCN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000280554236 1435678701 /nfs/dbraw/zinc/67/87/01/1435678701.db2.gz QRANPLPEUQMPID-UTKZUKDTSA-N 0 1 385.464 3.441 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000280554230 1435678920 /nfs/dbraw/zinc/67/89/20/1435678920.db2.gz QRANPLPEUQMPID-LAUBAEHRSA-N 0 1 385.464 3.441 20 0 GGADMN CO[C@]1(C)CCCN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000280554224 1435678937 /nfs/dbraw/zinc/67/89/37/1435678937.db2.gz QRANPLPEUQMPID-DYESRHJHSA-N 0 1 385.464 3.441 20 0 GGADMN Cc1cccc(CC2(O)CCN(CC(=O)N3CCc4sccc4C3)CC2)c1 ZINC000280556209 1435679256 /nfs/dbraw/zinc/67/92/56/1435679256.db2.gz QWBFAIQRUQHUBH-UHFFFAOYSA-N 0 1 384.545 3.011 20 0 GGADMN NC(=O)c1ccccc1CCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000280561057 1435680298 /nfs/dbraw/zinc/68/02/98/1435680298.db2.gz BOUIIXGTZYJXDZ-FQEVSTJZSA-N 0 1 399.922 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390.430 3.210 20 0 GGADMN Fc1ccc(-n2nccc2CNCc2ccnc(OC3CCOCC3)c2)cc1 ZINC000280768007 1435716690 /nfs/dbraw/zinc/71/66/90/1435716690.db2.gz DXAZCULBNQAAKE-UHFFFAOYSA-N 0 1 382.439 3.254 20 0 GGADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2conc2C2CC2)CC1 ZINC000280772099 1435717281 /nfs/dbraw/zinc/71/72/81/1435717281.db2.gz MPKCCNSVSIVEDO-CQSZACIVSA-N 0 1 386.471 3.324 20 0 GGADMN O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1c(F)ccc([O-])c1F ZINC000280777843 1435719103 /nfs/dbraw/zinc/71/91/03/1435719103.db2.gz NBEPYFADEABGIQ-UHFFFAOYSA-N 0 1 389.446 3.003 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)Nc2ccccc2C)[C@H](C)S(C)(=O)=O)cc1 ZINC000280788715 1435720534 /nfs/dbraw/zinc/72/05/34/1435720534.db2.gz JGYTUWPTONWRBD-LAUBAEHRSA-N 0 1 388.533 3.396 20 0 GGADMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280793435 1435721312 /nfs/dbraw/zinc/72/13/12/1435721312.db2.gz HSPMMJOQGDCDSR-SMDDNHRTSA-N 0 1 399.948 3.292 20 0 GGADMN CC[C@H](NCc1ccc(OC)c(O)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 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YKNMADISMOUFPE-LJQANCHMSA-N 0 1 388.537 3.318 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000280867334 1435733441 /nfs/dbraw/zinc/73/34/41/1435733441.db2.gz YKNMADISMOUFPE-IBGZPJMESA-N 0 1 388.537 3.318 20 0 GGADMN COc1ccccc1-n1nccc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000280881683 1435735800 /nfs/dbraw/zinc/73/58/00/1435735800.db2.gz CSJQVNDWFLBMAY-HXUWFJFHSA-N 0 1 385.508 3.431 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)N1CCN(Cc3cccc4ccccc43)CC1)CC2 ZINC000280889799 1435736891 /nfs/dbraw/zinc/73/68/91/1435736891.db2.gz CVSUXFZACAIIGT-LJQANCHMSA-N 0 1 388.515 3.023 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)c2ccc(F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280894075 1435737570 /nfs/dbraw/zinc/73/75/70/1435737570.db2.gz QJDSIMRGNFWBAR-FOIQADDNSA-N 0 1 377.481 3.471 20 0 GGADMN Cc1ccc([C@H](NCCC(=O)Nc2ccc(F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280896307 1435738009 /nfs/dbraw/zinc/73/80/09/1435738009.db2.gz QNLIBMHGDMVCFA-FOIQADDNSA-N 0 1 392.496 3.227 20 0 GGADMN CCC[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@H](O)c1ccccc1 ZINC000280899363 1435738376 /nfs/dbraw/zinc/73/83/76/1435738376.db2.gz SXJUVHSSARGTOE-FCHUYYIVSA-N 0 1 396.535 3.248 20 0 GGADMN CCC[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H](O)c1ccccc1 ZINC000280899384 1435738411 /nfs/dbraw/zinc/73/84/11/1435738411.db2.gz SXJUVHSSARGTOE-YADHBBJMSA-N 0 1 396.535 3.248 20 0 GGADMN O=C(NCCCc1nc[nH]n1)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000280942198 1435745213 /nfs/dbraw/zinc/74/52/13/1435745213.db2.gz IREFHOHLTOESAP-UHFFFAOYSA-N 0 1 382.493 3.183 20 0 GGADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280950969 1435746377 /nfs/dbraw/zinc/74/63/77/1435746377.db2.gz GYGICXHTNCJSJP-SAABIXHNSA-N 0 1 384.455 3.054 20 0 GGADMN COc1ccc(OC)c(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000280961605 1435748262 /nfs/dbraw/zinc/74/82/62/1435748262.db2.gz JTRZLRXEHAGUPH-UUXHPUJUSA-N 0 1 390.524 3.294 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 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/nfs/dbraw/zinc/75/02/14/1435750214.db2.gz KXAMJKATBMZGPA-UHOSZYNNSA-N 0 1 376.497 3.048 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC(C)(c2ccccc2)CC1 ZINC000280995323 1435752827 /nfs/dbraw/zinc/75/28/27/1435752827.db2.gz FJHBVGUCKGLFFV-UHFFFAOYSA-N 0 1 389.565 3.098 20 0 GGADMN CCCc1nc(-c2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)co1 ZINC000281049224 1435763808 /nfs/dbraw/zinc/76/38/08/1435763808.db2.gz QQRMXHMBTPDCHP-UHFFFAOYSA-N 0 1 377.422 3.116 20 0 GGADMN CC1([C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc([O-])c(Cl)cc34)C2)OCCO1 ZINC000281067668 1435767296 /nfs/dbraw/zinc/76/72/96/1435767296.db2.gz SPECXMWBOBOVCT-ZDUSSCGKSA-N 0 1 379.840 3.127 20 0 GGADMN Cn1ncc2c1C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc3nc[nH]c3c1)CC2 ZINC000281101644 1435774374 /nfs/dbraw/zinc/77/43/74/1435774374.db2.gz BKWUHELANRKVAS-JTSKRJEESA-N 0 1 385.471 3.307 20 0 GGADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C2 ZINC000281102457 1435774574 /nfs/dbraw/zinc/77/45/74/1435774574.db2.gz WJWWTIBDZQNCLU-CVDCTZTESA-N 0 1 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ZINC000281192484 1435792907 /nfs/dbraw/zinc/79/29/07/1435792907.db2.gz JSEKEJSTXUYBAY-YJYMSZOUSA-N 0 1 377.485 3.273 20 0 GGADMN C[C@@H](N[C@@H](c1cncc(F)c1)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000281192474 1435792926 /nfs/dbraw/zinc/79/29/26/1435792926.db2.gz JSEKEJSTXUYBAY-BFUOFWGJSA-N 0 1 377.485 3.273 20 0 GGADMN CCNC(=O)COc1cccc(CN[C@H](C)c2ccnn2-c2ccccc2)c1 ZINC000281190644 1435793194 /nfs/dbraw/zinc/79/31/94/1435793194.db2.gz JNISYASXVOJLDX-QGZVFWFLSA-N 0 1 378.476 3.238 20 0 GGADMN Cn1ncc2c1C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)CC2 ZINC000281209319 1435796012 /nfs/dbraw/zinc/79/60/12/1435796012.db2.gz KTFGVEOKTATXBA-UZLBHIALSA-N 0 1 386.927 3.132 20 0 GGADMN CSc1ccc([C@@H](C)NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC000281219679 1435798636 /nfs/dbraw/zinc/79/86/36/1435798636.db2.gz BPYUCEPHFUQJNX-MRXNPFEDSA-N 0 1 391.581 3.165 20 0 GGADMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)C1 ZINC000281224205 1435798957 /nfs/dbraw/zinc/79/89/57/1435798957.db2.gz BWRTZYGZPZKPMP-OFIKQIQMSA-N 0 1 387.505 3.026 20 0 GGADMN Cc1c(-c2cc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)on2)cnn1C ZINC000281231509 1435800003 /nfs/dbraw/zinc/80/00/03/1435800003.db2.gz CCVQJTKLRCYXQC-KRWDZBQOSA-N 0 1 391.516 3.413 20 0 GGADMN Cc1c(-c2cc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)on2)cnn1C ZINC000281231513 1435800024 /nfs/dbraw/zinc/80/00/24/1435800024.db2.gz CCVQJTKLRCYXQC-QGZVFWFLSA-N 0 1 391.516 3.413 20 0 GGADMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnc[nH]4)cc3F)c12 ZINC000281235877 1435800102 /nfs/dbraw/zinc/80/01/02/1435800102.db2.gz SOMYWEPPWCXQEO-UHFFFAOYSA-N 0 1 391.410 3.331 20 0 GGADMN Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccccc1CN1CCC(O)CC1)O2 ZINC000281249334 1435800732 /nfs/dbraw/zinc/80/07/32/1435800732.db2.gz QAYHWIVURULIQW-JOCHJYFZSA-N 0 1 380.488 3.284 20 0 GGADMN Cc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000281283004 1435802295 /nfs/dbraw/zinc/80/22/95/1435802295.db2.gz ZKCFWHPEJMJFDU-QFIPXVFZSA-N 0 1 379.504 3.435 20 0 GGADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CC[C@](C)(C(=O)NC)C1 ZINC000281294256 1435802676 /nfs/dbraw/zinc/80/26/76/1435802676.db2.gz WVAAOAVRLUZOOB-REWPJTCUSA-N 0 1 395.503 3.223 20 0 GGADMN COc1ccc(F)c2[nH]c(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc21 ZINC000281298240 1435802874 /nfs/dbraw/zinc/80/28/74/1435802874.db2.gz TUYOBHQRRRHZLP-LBPRGKRZSA-N 0 1 383.427 3.331 20 0 GGADMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281300641 1435802948 /nfs/dbraw/zinc/80/29/48/1435802948.db2.gz RBCIGEVTJBDQII-FQEVSTJZSA-N 0 1 391.512 3.289 20 0 GGADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccccc2NC(C)(C)C)n[nH]1 ZINC000281322133 1435803766 /nfs/dbraw/zinc/80/37/66/1435803766.db2.gz BAWBSUDFUUSSAJ-STQMWFEESA-N 0 1 386.500 3.345 20 0 GGADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000281328719 1435804032 /nfs/dbraw/zinc/80/40/32/1435804032.db2.gz PSEJOUVQCNSDNX-FQEVSTJZSA-N 0 1 391.581 3.388 20 0 GGADMN O=S(=O)(c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1)N1CCCC1 ZINC000281333002 1435804094 /nfs/dbraw/zinc/80/40/94/1435804094.db2.gz UBDSWAKPKAXWHI-HXUWFJFHSA-N 0 1 389.496 3.246 20 0 GGADMN O=S(=O)(c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1)N1CCCC1 ZINC000281332995 1435804102 /nfs/dbraw/zinc/80/41/02/1435804102.db2.gz UBDSWAKPKAXWHI-FQEVSTJZSA-N 0 1 389.496 3.246 20 0 GGADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@@H](C)c1ccc(SC)cc1 ZINC000281335052 1435804229 /nfs/dbraw/zinc/80/42/29/1435804229.db2.gz MDFGIGKGATWBHR-HNNXBMFYSA-N 0 1 385.533 3.376 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C)c1cc2ccccc2o1 ZINC000281334406 1435804239 /nfs/dbraw/zinc/80/42/39/1435804239.db2.gz QEUMCBZDVFBEBY-AWEZNQCLSA-N 0 1 375.494 3.142 20 0 GGADMN C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccnn1-c1ccccc1 ZINC000281337833 1435804419 /nfs/dbraw/zinc/80/44/19/1435804419.db2.gz UKWSCJGVANEZQY-MSOLQXFVSA-N 0 1 377.492 3.343 20 0 GGADMN COc1ccccc1-n1nccc1CNCc1cccc(CN2CCCC2=O)c1 ZINC000281359675 1435805436 /nfs/dbraw/zinc/80/54/36/1435805436.db2.gz FPEWPGZYHFSJQE-UHFFFAOYSA-N 0 1 390.487 3.293 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@@H]1c1cccc(C)c1C ZINC000281360609 1435805483 /nfs/dbraw/zinc/80/54/83/1435805483.db2.gz SIJICAVJLQBJLR-OAQYLSRUSA-N 0 1 389.565 3.498 20 0 GGADMN COc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1OCCO ZINC000281384562 1435806545 /nfs/dbraw/zinc/80/65/45/1435806545.db2.gz XMFRTSQWXWHXLX-GOSISDBHSA-N 0 1 397.431 3.046 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CCN(CC(F)(F)F)C4)C3)[nH]c2c1 ZINC000281387818 1435806742 /nfs/dbraw/zinc/80/67/42/1435806742.db2.gz BISXFNXZSKNCIB-HUUCEWRRSA-N 0 1 394.441 3.462 20 0 GGADMN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccnn1-c1ccccc1 ZINC000281392285 1435806979 /nfs/dbraw/zinc/80/69/79/1435806979.db2.gz XZXQKNJHVJIRFS-QGZVFWFLSA-N 0 1 378.476 3.190 20 0 GGADMN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000281413501 1435807901 /nfs/dbraw/zinc/80/79/01/1435807901.db2.gz XKRLPVVUFPZHMW-OAQYLSRUSA-N 0 1 389.565 3.098 20 0 GGADMN COc1ccccc1-c1nc(C2CCN(C[C@](C)(O)C(F)(F)F)CC2)no1 ZINC000281421791 1435808259 /nfs/dbraw/zinc/80/82/59/1435808259.db2.gz RTTANSQHYJKAOC-KRWDZBQOSA-N 0 1 385.386 3.238 20 0 GGADMN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281422271 1435808318 /nfs/dbraw/zinc/80/83/18/1435808318.db2.gz OTZLYFKNXSIYHI-CVAIRZPRSA-N 0 1 379.460 3.430 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCCSC ZINC000281448292 1435809375 /nfs/dbraw/zinc/80/93/75/1435809375.db2.gz SFVOBFLMDPXDTB-UHFFFAOYSA-N 0 1 380.558 3.054 20 0 GGADMN O=C(Nc1c(F)cc(F)cc1F)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281461808 1435809879 /nfs/dbraw/zinc/80/98/79/1435809879.db2.gz TYZVLZULWYWIMD-UHFFFAOYSA-N 0 1 383.292 3.026 20 0 GGADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cn2c(C)nc3cc(F)c(F)cc32)n[nH]1 ZINC000281496517 1435811332 /nfs/dbraw/zinc/81/13/32/1435811332.db2.gz FSSCOKSREKCFIH-VHSXEESVSA-N 0 1 376.411 3.132 20 0 GGADMN Cc1c([C@@H](C)NC2CCN(c3nccs3)CC2)nnn1-c1ccc(F)cc1 ZINC000281558153 1435813531 /nfs/dbraw/zinc/81/35/31/1435813531.db2.gz JQSQVOGGSVVPGD-CYBMUJFWSA-N 0 1 386.500 3.491 20 0 GGADMN Cc1c([C@H](C)NC2CCN(c3nccs3)CC2)nnn1-c1ccc(F)cc1 ZINC000281558158 1435813561 /nfs/dbraw/zinc/81/35/61/1435813561.db2.gz JQSQVOGGSVVPGD-ZDUSSCGKSA-N 0 1 386.500 3.491 20 0 GGADMN C[C@H](N[C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)C(=O)N1CCCC1 ZINC000281634515 1435816509 /nfs/dbraw/zinc/81/65/09/1435816509.db2.gz OOIQBTMZBVQSMH-XYJFISCASA-N 0 1 378.488 3.435 20 0 GGADMN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000281641581 1435816797 /nfs/dbraw/zinc/81/67/97/1435816797.db2.gz HKKJIRYCJYXGRC-KRWDZBQOSA-N 0 1 396.472 3.308 20 0 GGADMN CN1CC[C@@H](CNC(=O)Cc2ncccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000281661851 1435817488 /nfs/dbraw/zinc/81/74/88/1435817488.db2.gz SKTPRGCVRGKNOA-DJJJIMSYSA-N 0 1 379.838 3.365 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000281674858 1435817973 /nfs/dbraw/zinc/81/79/73/1435817973.db2.gz BXGAXNYWPWXAMC-HNNXBMFYSA-N 0 1 399.495 3.239 20 0 GGADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281674923 1435818137 /nfs/dbraw/zinc/81/81/37/1435818137.db2.gz KDNGDJVWROOTDO-SFHVURJKSA-N 0 1 378.432 3.042 20 0 GGADMN COC(=O)Nc1cccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c1C ZINC000281725612 1435819571 /nfs/dbraw/zinc/81/95/71/1435819571.db2.gz JPCINRNMDBTCPO-UHFFFAOYSA-N 0 1 396.491 3.173 20 0 GGADMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccccc2SC)CC1 ZINC000281747793 1435820535 /nfs/dbraw/zinc/82/05/35/1435820535.db2.gz QUHOFQBKRIJYAI-GJZGRUSLSA-N 0 1 378.538 3.249 20 0 GGADMN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000281754718 1435820798 /nfs/dbraw/zinc/82/07/98/1435820798.db2.gz KADFRPBJSHBIBS-NRFANRHFSA-N 0 1 395.551 3.018 20 0 GGADMN Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000281758717 1435821039 /nfs/dbraw/zinc/82/10/39/1435821039.db2.gz FLSKEHVTRLPYMM-INIZCTEOSA-N 0 1 384.549 3.021 20 0 GGADMN CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)[C@H](C)C1 ZINC000281781962 1435821729 /nfs/dbraw/zinc/82/17/29/1435821729.db2.gz BMTHLFWJDQMHEF-SOLBZPMBSA-N 0 1 387.524 3.011 20 0 GGADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000281816191 1435823027 /nfs/dbraw/zinc/82/30/27/1435823027.db2.gz JKWOKPSUCJWJMS-QGZVFWFLSA-N 0 1 384.549 3.021 20 0 GGADMN O=C(CN[C@@]1(CO)CCCc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000281822932 1435823230 /nfs/dbraw/zinc/82/32/30/1435823230.db2.gz WZHHWSYHSGVYRY-LJQANCHMSA-N 0 1 378.394 3.458 20 0 GGADMN CSc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000281850600 1435824271 /nfs/dbraw/zinc/82/42/71/1435824271.db2.gz MEYDYCAKUPVINJ-ZIAGYGMSSA-N 0 1 392.546 3.490 20 0 GGADMN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000281871523 1435824878 /nfs/dbraw/zinc/82/48/78/1435824878.db2.gz CJCTXPVBVXIWAP-INIZCTEOSA-N 0 1 394.880 3.059 20 0 GGADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000281897737 1435825933 /nfs/dbraw/zinc/82/59/33/1435825933.db2.gz MKIIKOMHQOMJFS-FXAWDEMLSA-N 0 1 386.540 3.256 20 0 GGADMN O=S(=O)(C1CCN(Cc2ccc(Cl)c3cccnc23)CC1)N1CCCC1 ZINC000281953432 1435828264 /nfs/dbraw/zinc/82/82/64/1435828264.db2.gz ARFIKHHWZZFQFQ-UHFFFAOYSA-N 0 1 393.940 3.278 20 0 GGADMN C[C@H](CNC(=O)OC(C)(C)C)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000281968121 1435828905 /nfs/dbraw/zinc/82/89/05/1435828905.db2.gz JTWPWOGCJRCISL-LLVKDONJSA-N 0 1 386.518 3.493 20 0 GGADMN CCOC(=O)Cc1csc(NC(=O)CN[C@H](C)c2ccccc2SC)n1 ZINC000281969509 1435829084 /nfs/dbraw/zinc/82/90/84/1435829084.db2.gz GVNISQXBYMIZGH-GFCCVEGCSA-N 0 1 393.534 3.260 20 0 GGADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)n[nH]1 ZINC000281974658 1435829274 /nfs/dbraw/zinc/82/92/74/1435829274.db2.gz MBSPDAOZJWKNNJ-BXKDBHETSA-N 0 1 377.876 3.404 20 0 GGADMN COCc1noc(CN2CCN(C[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000281983729 1435829734 /nfs/dbraw/zinc/82/97/34/1435829734.db2.gz HULSIDQAABFHKI-AWEZNQCLSA-N 0 1 398.429 3.156 20 0 GGADMN O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282050517 1435832580 /nfs/dbraw/zinc/83/25/80/1435832580.db2.gz GPPPXTAXUOQYLJ-JYJNAYRXSA-N 0 1 380.891 3.153 20 0 GGADMN CC[N@@H+](CCOCCO)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000282074003 1435833570 /nfs/dbraw/zinc/83/35/70/1435833570.db2.gz NNMHKEKEGYDFJG-UHFFFAOYSA-N 0 1 391.468 3.034 20 0 GGADMN Cc1cc([C@H](C)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)oc1C ZINC000282093096 1435834266 /nfs/dbraw/zinc/83/42/66/1435834266.db2.gz IFGAFMMWZVDSNI-YJBOKZPZSA-N 0 1 392.521 3.205 20 0 GGADMN Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)nc2C2CC2)C1 ZINC000282189757 1435837794 /nfs/dbraw/zinc/83/77/94/1435837794.db2.gz DUXNGDBCXCPANI-OAHLLOKOSA-N 0 1 385.537 3.021 20 0 GGADMN CO[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000282190405 1435837843 /nfs/dbraw/zinc/83/78/43/1435837843.db2.gz BYFXVXIDSYIRLB-BHIYHBOVSA-N 0 1 388.508 3.011 20 0 GGADMN CO[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000282190405 1435837844 /nfs/dbraw/zinc/83/78/44/1435837844.db2.gz BYFXVXIDSYIRLB-BHIYHBOVSA-N 0 1 388.508 3.011 20 0 GGADMN O=C(Nc1cc(-c2ccccc2)ns1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282242197 1435839769 /nfs/dbraw/zinc/83/97/69/1435839769.db2.gz APJYKGUPTYQZIM-INIZCTEOSA-N 0 1 386.521 3.386 20 0 GGADMN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282259252 1435840431 /nfs/dbraw/zinc/84/04/31/1435840431.db2.gz BTBHWYAYWXUKLX-SFHVURJKSA-N 0 1 396.491 3.450 20 0 GGADMN CC(C)C(=O)NC[C@H]1CCCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000282259310 1435840437 /nfs/dbraw/zinc/84/04/37/1435840437.db2.gz CPGSHFKYWLFJPN-CQSZACIVSA-N 0 1 396.557 3.474 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000282271448 1435841081 /nfs/dbraw/zinc/84/10/81/1435841081.db2.gz DIXWTNHKAXXQII-NSHDSACASA-N 0 1 385.468 3.452 20 0 GGADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H]1CCCC(F)(F)C1 ZINC000282292012 1435841929 /nfs/dbraw/zinc/84/19/29/1435841929.db2.gz RPDDXSLXEFFZAR-GFCCVEGCSA-N 0 1 381.448 3.017 20 0 GGADMN Cc1cc([C@H](C)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nn1C ZINC000282320615 1435842929 /nfs/dbraw/zinc/84/29/29/1435842929.db2.gz UILSFBIQMVGPJG-HNAYVOBHSA-N 0 1 396.457 3.471 20 0 GGADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000282327087 1435843196 /nfs/dbraw/zinc/84/31/96/1435843196.db2.gz PITFRULSVXXALA-UHFFFAOYSA-N 0 1 389.399 3.432 20 0 GGADMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(OCc3cccnc3)cc2)O1 ZINC000282346244 1435843976 /nfs/dbraw/zinc/84/39/76/1435843976.db2.gz CHAZFGDYBHQXTO-XXMUNEJQSA-N 0 1 396.487 3.344 20 0 GGADMN CO[C@@H]1CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)[C@@H](C)C1 ZINC000282367738 1435844691 /nfs/dbraw/zinc/84/46/91/1435844691.db2.gz NSABPGUPVZRTPZ-FXAWDEMLSA-N 0 1 386.492 3.112 20 0 GGADMN CCOC(=O)COc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000282376780 1435845052 /nfs/dbraw/zinc/84/50/52/1435845052.db2.gz YNRQHYSKVFSYSQ-KRWDZBQOSA-N 0 1 391.493 3.114 20 0 GGADMN CCOc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000282470456 1435848345 /nfs/dbraw/zinc/84/83/45/1435848345.db2.gz LFLHSDLJLHVVKM-OAHLLOKOSA-N 0 1 381.904 3.315 20 0 GGADMN CC[C@@](O)(C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1cccc(Cl)c1 ZINC000282469527 1435848356 /nfs/dbraw/zinc/84/83/56/1435848356.db2.gz LOJUYZYOEGIXFQ-SFHVURJKSA-N 0 1 397.880 3.076 20 0 GGADMN COc1ccc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC000282468325 1435848367 /nfs/dbraw/zinc/84/83/67/1435848367.db2.gz KNUPMKNSOZTTBR-UHFFFAOYSA-N 0 1 382.382 3.472 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000282492292 1435849111 /nfs/dbraw/zinc/84/91/11/1435849111.db2.gz NBAPDARIOUTGGV-MRXNPFEDSA-N 0 1 381.467 3.077 20 0 GGADMN O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cccc(=O)[nH]2)cc1 ZINC000282506097 1435849532 /nfs/dbraw/zinc/84/95/32/1435849532.db2.gz OYFVTPJVXUQJPB-UHFFFAOYSA-N 0 1 382.464 3.244 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000282518955 1435849858 /nfs/dbraw/zinc/84/98/58/1435849858.db2.gz KYMJACZOEWSHCR-MRXNPFEDSA-N 0 1 399.564 3.116 20 0 GGADMN COCCCn1nccc1CNCc1ccc(OCCOc2ccccc2)nc1 ZINC000282520559 1435850062 /nfs/dbraw/zinc/85/00/62/1435850062.db2.gz AAAZRUWAZCVUQP-UHFFFAOYSA-N 0 1 396.491 3.062 20 0 GGADMN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000282529713 1435850378 /nfs/dbraw/zinc/85/03/78/1435850378.db2.gz WBWMJFBNRGQYAN-ZBFHGGJFSA-N 0 1 391.516 3.124 20 0 GGADMN O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC000282565781 1435851790 /nfs/dbraw/zinc/85/17/90/1435851790.db2.gz URLWIDXNUJWZRU-HKUYNNGSSA-N 0 1 383.467 3.226 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000282574330 1435852222 /nfs/dbraw/zinc/85/22/22/1435852222.db2.gz ORGHYNPHPLOPMH-MRXNPFEDSA-N 0 1 399.564 3.116 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNc1ccc(CCN2CCOCC2)cc1 ZINC000282599804 1435853238 /nfs/dbraw/zinc/85/32/38/1435853238.db2.gz HRSOKGBDGYNNNJ-UHFFFAOYSA-N 0 1 391.519 3.371 20 0 GGADMN CN(Cc1ccccc1NC(=O)N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000282629014 1435854228 /nfs/dbraw/zinc/85/42/28/1435854228.db2.gz YMQFYXBWSCODLU-SFHVURJKSA-N 0 1 393.553 3.102 20 0 GGADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000282651334 1435855183 /nfs/dbraw/zinc/85/51/83/1435855183.db2.gz DQBRIMBIEPAGPS-HXUWFJFHSA-N 0 1 386.540 3.218 20 0 GGADMN CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000282665201 1435855587 /nfs/dbraw/zinc/85/55/87/1435855587.db2.gz IMVLTPCYWGSVLF-UXHICEINSA-N 0 1 380.492 3.102 20 0 GGADMN CCN(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000282665201 1435855588 /nfs/dbraw/zinc/85/55/88/1435855588.db2.gz IMVLTPCYWGSVLF-UXHICEINSA-N 0 1 380.492 3.102 20 0 GGADMN C[C@H](CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000282672276 1435855978 /nfs/dbraw/zinc/85/59/78/1435855978.db2.gz MXWNCJGUMBTTQE-MRXNPFEDSA-N 0 1 383.458 3.049 20 0 GGADMN COCCn1cc(CN[C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)cn1 ZINC000282704894 1435857153 /nfs/dbraw/zinc/85/71/53/1435857153.db2.gz LBAKKAYSUMMZFG-VQIMIIECSA-N 0 1 391.487 3.467 20 0 GGADMN C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)NCCF ZINC000282715242 1435857604 /nfs/dbraw/zinc/85/76/04/1435857604.db2.gz PXQBFKLYXPIRNI-HNNXBMFYSA-N 0 1 386.496 3.224 20 0 GGADMN COCCN1C(=O)CCc2cc(NC(=O)c3cccc4nc(C)[nH]c43)ccc21 ZINC000282725399 1435857907 /nfs/dbraw/zinc/85/79/07/1435857907.db2.gz CDAVUJILXRTVMX-UHFFFAOYSA-N 0 1 378.432 3.049 20 0 GGADMN Cc1nc2cccc(C(=O)Nc3ccc(O[C@@H]4CCN(C)C4=O)cc3C)c2[nH]1 ZINC000282730723 1435858144 /nfs/dbraw/zinc/85/81/44/1435858144.db2.gz IILKZSMJKHUQDS-GOSISDBHSA-N 0 1 378.432 3.042 20 0 GGADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1cccc(CN2CCCC2=O)c1 ZINC000282732785 1435858273 /nfs/dbraw/zinc/85/82/73/1435858273.db2.gz SPAKHCVCHHNYPJ-UHFFFAOYSA-N 0 1 389.503 3.296 20 0 GGADMN CN(C)c1nc(CNCCCOC2CCOCC2)c(Cl)n1-c1ccccc1 ZINC000282735940 1435858353 /nfs/dbraw/zinc/85/83/53/1435858353.db2.gz DZTMTVCTJCMREF-UHFFFAOYSA-N 0 1 392.931 3.267 20 0 GGADMN COCCCn1nccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000282740863 1435858670 /nfs/dbraw/zinc/85/86/70/1435858670.db2.gz FSSNNGNAMUIVOP-KRWDZBQOSA-N 0 1 399.470 3.488 20 0 GGADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000282744841 1435858719 /nfs/dbraw/zinc/85/87/19/1435858719.db2.gz NMXQWQAQTWRFDE-CYBMUJFWSA-N 0 1 397.458 3.283 20 0 GGADMN CCOCCCn1c(C2CC2)nnc1N1CCN(CCc2cccs2)CC1 ZINC000282778797 1435859981 /nfs/dbraw/zinc/85/99/81/1435859981.db2.gz KOEDJPHDRKGFMW-UHFFFAOYSA-N 0 1 389.569 3.008 20 0 GGADMN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cccc3[nH]c(C)nc32)sc1C ZINC000282781596 1435860093 /nfs/dbraw/zinc/86/00/93/1435860093.db2.gz MSFPOJFJPRGKKK-CQSZACIVSA-N 0 1 384.461 3.400 20 0 GGADMN Cc1cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cnc1Cl ZINC000282782772 1435860243 /nfs/dbraw/zinc/86/02/43/1435860243.db2.gz KZAJNHDPMIOTQD-HNNXBMFYSA-N 0 1 395.290 3.054 20 0 GGADMN CSc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282786305 1435860329 /nfs/dbraw/zinc/86/03/29/1435860329.db2.gz IYVKQQNPBHKUSC-SJORKVTESA-N 0 1 377.554 3.223 20 0 GGADMN c1nc(N2CCOCC2)sc1CN1CCC(N2CCc3ccccc32)CC1 ZINC000282790461 1435860480 /nfs/dbraw/zinc/86/04/80/1435860480.db2.gz RFVAPPXNJBVERK-UHFFFAOYSA-N 0 1 384.549 3.007 20 0 GGADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCC1CCOCC1 ZINC000282794278 1435860530 /nfs/dbraw/zinc/86/05/30/1435860530.db2.gz ZAYLYSCDEAKZBV-UHFFFAOYSA-N 0 1 389.540 3.373 20 0 GGADMN CCCNC(=O)c1cccc(CNCc2c(C)nn(-c3ccccn3)c2C)c1 ZINC000282798189 1435860811 /nfs/dbraw/zinc/86/08/11/1435860811.db2.gz ZDUPJAXWSHSESW-UHFFFAOYSA-N 0 1 377.492 3.314 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4CCc5cnn(C)c5C4)C3)[nH]c2c1 ZINC000282818676 1435861581 /nfs/dbraw/zinc/86/15/81/1435861581.db2.gz RNHVPEWHDGVLDC-NVXWUHKLSA-N 0 1 377.492 3.116 20 0 GGADMN COCCOc1ccc([C@@H](C)NCCS(=O)(=O)CCc2ccccc2)cc1 ZINC000282853435 1435863019 /nfs/dbraw/zinc/86/30/19/1435863019.db2.gz UEXMRFIMYJOHDA-GOSISDBHSA-N 0 1 391.533 3.020 20 0 GGADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000282860450 1435863418 /nfs/dbraw/zinc/86/34/18/1435863418.db2.gz COYPKKHUYOKTTO-LEWJYISDSA-N 0 1 384.524 3.169 20 0 GGADMN COc1ccc([C@@H](C)NCCS(=O)(=O)CCc2ccccc2)cc1OC ZINC000282858842 1435863425 /nfs/dbraw/zinc/86/34/25/1435863425.db2.gz UMVFQILPIMHCBL-MRXNPFEDSA-N 0 1 377.506 3.012 20 0 GGADMN c1csc(Cn2c(-c3cccnc3)nnc2N2CCN(C3CCC3)CC2)c1 ZINC000282886354 1435864651 /nfs/dbraw/zinc/86/46/51/1435864651.db2.gz DWDATCPVZRFTHL-UHFFFAOYSA-N 0 1 380.521 3.124 20 0 GGADMN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282899941 1435865313 /nfs/dbraw/zinc/86/53/13/1435865313.db2.gz XYDPTIOZUHUYJD-AAEUAGOBSA-N 0 1 396.417 3.129 20 0 GGADMN CCOc1cc2c(cc1NC(=O)N1CCC[C@H](c3cc(C)[nH]n3)C1)OCCO2 ZINC000282912070 1435865696 /nfs/dbraw/zinc/86/56/96/1435865696.db2.gz VFBWTQVMWWKPHN-AWEZNQCLSA-N 0 1 386.452 3.300 20 0 GGADMN Cc1cc(C)cc([C@H](O)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000282927772 1435866510 /nfs/dbraw/zinc/86/65/10/1435866510.db2.gz ZRJWKKATNDTCHE-XMSQKQJNSA-N 0 1 396.535 3.257 20 0 GGADMN O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000282933435 1435866626 /nfs/dbraw/zinc/86/66/26/1435866626.db2.gz SIJDKRFFGUEWFA-CQSZACIVSA-N 0 1 395.425 3.371 20 0 GGADMN C[C@@H](N[C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)NCCF ZINC000282966450 1435868105 /nfs/dbraw/zinc/86/81/05/1435868105.db2.gz ZXLVUDZHRYFZIV-JKSUJKDBSA-N 0 1 384.455 3.038 20 0 GGADMN Cc1cc(Cl)nc(CNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000282969737 1435868204 /nfs/dbraw/zinc/86/82/04/1435868204.db2.gz WPTKWHXBTXQRSN-UHFFFAOYSA-N 0 1 387.915 3.425 20 0 GGADMN Cc1cc(=O)c(C(=O)N(CCCc2ccccc2)CCN(C)C)cn1C1CC1 ZINC000282992467 1435869266 /nfs/dbraw/zinc/86/92/66/1435869266.db2.gz KBWIYDIZFWMFGQ-UHFFFAOYSA-N 0 1 381.520 3.128 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](OC)C[C@H]2C)N2CCCC2)cc1 ZINC000282993537 1435869295 /nfs/dbraw/zinc/86/92/95/1435869295.db2.gz LMLMCKOJWMKLKP-UXPWSPDFSA-N 0 1 375.513 3.041 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](OC)C[C@@H]2C)N2CCCC2)cc1 ZINC000282993547 1435869311 /nfs/dbraw/zinc/86/93/11/1435869311.db2.gz LMLMCKOJWMKLKP-VDGAXYAQSA-N 0 1 375.513 3.041 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)c2cnc(C3OCCO3)s2)N2CCCC2)cc1 ZINC000283016193 1435870500 /nfs/dbraw/zinc/87/05/00/1435870500.db2.gz LSECSNSDPRMAGY-MRXNPFEDSA-N 0 1 387.505 3.064 20 0 GGADMN COC(=O)Cc1occc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000283023363 1435870876 /nfs/dbraw/zinc/87/08/76/1435870876.db2.gz QLCXKANMJCZHGY-MRXNPFEDSA-N 0 1 390.505 3.260 20 0 GGADMN C[C@@H](NC(=O)CCCc1nccs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000283035311 1435871449 /nfs/dbraw/zinc/87/14/49/1435871449.db2.gz KYTRYNMZCRPNLQ-OAHLLOKOSA-N 0 1 390.528 3.234 20 0 GGADMN COc1ccc([C@H](CNC(=O)N2CC[C@@H](OC)C[C@H]2C)N2CCCCC2)cc1 ZINC000283069191 1435873067 /nfs/dbraw/zinc/87/30/67/1435873067.db2.gz SQDSRHQSVGBWOE-UIFIKXQLSA-N 0 1 389.540 3.431 20 0 GGADMN CCN(CC)[C@H](CNC(=O)c1ccccc1S[C@@H](C)C(N)=O)c1ccco1 ZINC000283079983 1435873505 /nfs/dbraw/zinc/87/35/05/1435873505.db2.gz DODVSAAULMDNKS-GOEBONIOSA-N 0 1 389.521 3.058 20 0 GGADMN CCN(CC)[C@@H](CNC(=O)c1cn(C2CC2)c(C)cc1=O)c1cccc(OC)c1 ZINC000283089298 1435873944 /nfs/dbraw/zinc/87/39/44/1435873944.db2.gz WHBWZLYCERCQKC-NRFANRHFSA-N 0 1 397.519 3.313 20 0 GGADMN CC1(C)CN(CC(F)(F)F)CCN1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283119029 1435875426 /nfs/dbraw/zinc/87/54/26/1435875426.db2.gz MVKDTKHNBPEBNF-INIZCTEOSA-N 0 1 383.458 3.107 20 0 GGADMN COc1cccc([C@H](C)N2CCN(c3nnc(C)n3C[C@H]3CCCCO3)CC2)c1 ZINC000283148900 1435876789 /nfs/dbraw/zinc/87/67/89/1435876789.db2.gz VAICNZRRSWPDTD-LAUBAEHRSA-N 0 1 399.539 3.047 20 0 GGADMN Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283150136 1435876883 /nfs/dbraw/zinc/87/68/83/1435876883.db2.gz VWAUUAZYQQZBPB-UHFFFAOYSA-N 0 1 399.545 3.128 20 0 GGADMN Cn1cc(Oc2ccccc2C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 ZINC000283157180 1435877284 /nfs/dbraw/zinc/87/72/84/1435877284.db2.gz JTNDPYFDGUIVNZ-OAHLLOKOSA-N 0 1 392.463 3.228 20 0 GGADMN Cc1cc([C@@H]2CCCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)n3)C2)n[nH]1 ZINC000283197215 1435878827 /nfs/dbraw/zinc/87/88/27/1435878827.db2.gz MNVJOLFGDVBYCQ-CQSZACIVSA-N 0 1 385.468 3.480 20 0 GGADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc4n[nH]c(=S)n4c3)[nH]c2c1 ZINC000283203582 1435879161 /nfs/dbraw/zinc/87/91/61/1435879161.db2.gz WWWDOLNNMRAZRX-HNNXBMFYSA-N 0 1 378.461 3.180 20 0 GGADMN CN1CC[C@@H](CNC(=O)C(=O)NC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283259545 1435881726 /nfs/dbraw/zinc/88/17/26/1435881726.db2.gz MOCFACBUECLXHC-KSSFIOAISA-N 0 1 395.906 3.037 20 0 GGADMN COCCCN(C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000283286831 1435882871 /nfs/dbraw/zinc/88/28/71/1435882871.db2.gz MLQJZSARWMMSSL-PBHICJAKSA-N 0 1 393.471 3.335 20 0 GGADMN Cc1nn(C)c(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000283369999 1435886498 /nfs/dbraw/zinc/88/64/98/1435886498.db2.gz ZAKPQQUXKFBIGM-UHFFFAOYSA-N 0 1 395.429 3.060 20 0 GGADMN COc1ccc(CN(CC2CCC2)C(=O)CCCCc2cn[nH]n2)c(OC)c1 ZINC000283387060 1435887382 /nfs/dbraw/zinc/88/73/82/1435887382.db2.gz DCTJNDIEDCRLON-UHFFFAOYSA-N 0 1 386.496 3.364 20 0 GGADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000283406678 1435888395 /nfs/dbraw/zinc/88/83/95/1435888395.db2.gz QRLGIYHPDNDZHB-LIRRHRJNSA-N 0 1 395.956 3.202 20 0 GGADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000283406673 1435888483 /nfs/dbraw/zinc/88/84/83/1435888483.db2.gz QRLGIYHPDNDZHB-KUHUBIRLSA-N 0 1 395.956 3.202 20 0 GGADMN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc([C@@H](C)O)s1 ZINC000283409130 1435888577 /nfs/dbraw/zinc/88/85/77/1435888577.db2.gz LNMNMVJYLNBNGU-GDBMZVCRSA-N 0 1 389.521 3.029 20 0 GGADMN COc1cc(OC)c(OC)cc1C=CC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000283412596 1435888741 /nfs/dbraw/zinc/88/87/41/1435888741.db2.gz UHOZIDBNGPDKNU-KXPUMZMLSA-N 0 1 385.464 3.163 20 0 GGADMN COc1cc(OC)c(OC)cc1C=CC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000283412598 1435888755 /nfs/dbraw/zinc/88/87/55/1435888755.db2.gz UHOZIDBNGPDKNU-WAVCKPEOSA-N 0 1 385.464 3.163 20 0 GGADMN O=C(CC1CCCCC1)N1CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283410562 1435888763 /nfs/dbraw/zinc/88/87/63/1435888763.db2.gz FGXBKNWKUUGAOC-OAQYLSRUSA-N 0 1 397.563 3.263 20 0 GGADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cn(C3CC3)c(C)cc2=O)cc1 ZINC000283416568 1435888815 /nfs/dbraw/zinc/88/88/15/1435888815.db2.gz LYNFMUWUGVPALN-NRFANRHFSA-N 0 1 395.503 3.067 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)[nH]1 ZINC000283413782 1435888836 /nfs/dbraw/zinc/88/88/36/1435888836.db2.gz ICVAUGRJMHUONY-UHFFFAOYSA-N 0 1 396.516 3.144 20 0 GGADMN Cc1c([C@H](C)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)nnn1-c1ccc(C)cc1 ZINC000283454844 1435890618 /nfs/dbraw/zinc/89/06/18/1435890618.db2.gz UWWGEOQVXTWDDK-MDKPJZGXSA-N 0 1 384.524 3.102 20 0 GGADMN COc1cnc2ccccc2c1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000283464198 1435891105 /nfs/dbraw/zinc/89/11/05/1435891105.db2.gz LUZKSIIDXPOSNQ-UHFFFAOYSA-N 0 1 376.460 3.033 20 0 GGADMN COc1cc(C=CC(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cc(OC)c1OC ZINC000283469062 1435891313 /nfs/dbraw/zinc/89/13/13/1435891313.db2.gz YELKRDRENKIJRZ-KXPUMZMLSA-N 0 1 385.464 3.163 20 0 GGADMN Cc1cccc(C)c1NC(=O)CN(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283486168 1435892140 /nfs/dbraw/zinc/89/21/40/1435892140.db2.gz JLNDVFOTTABVQO-IBGZPJMESA-N 0 1 379.504 3.336 20 0 GGADMN CN1CCN(CCOc2ccc(NC(=O)Cc3ccc(Cl)s3)cc2)CC1 ZINC000283579548 1435896471 /nfs/dbraw/zinc/89/64/71/1435896471.db2.gz LBDIXXFVSMEHNW-UHFFFAOYSA-N 0 1 393.940 3.209 20 0 GGADMN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2[nH]nc3ccccc32)C(C)(C)C1 ZINC000283606287 1435897608 /nfs/dbraw/zinc/89/76/08/1435897608.db2.gz QTTUUNWAESQCJI-KRWDZBQOSA-N 0 1 386.496 3.257 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)[nH]1 ZINC000283613767 1435897992 /nfs/dbraw/zinc/89/79/92/1435897992.db2.gz ZQCQYYDMLSWSPS-UHFFFAOYSA-N 0 1 376.460 3.214 20 0 GGADMN C[C@@H](NC(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1)c1cc2ccccc2o1 ZINC000283630437 1435898629 /nfs/dbraw/zinc/89/86/29/1435898629.db2.gz WOGAJUIYKRCROC-CQSZACIVSA-N 0 1 397.450 3.127 20 0 GGADMN Cc1nc2c(cccc2C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)[nH]1 ZINC000283654654 1435899476 /nfs/dbraw/zinc/89/94/76/1435899476.db2.gz DGJWWYOAMSTAPW-UHFFFAOYSA-N 0 1 376.460 3.248 20 0 GGADMN CCN(CC(=O)Nc1ccccc1OC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283702908 1435907036 /nfs/dbraw/zinc/90/70/36/1435907036.db2.gz YNXVVRFBTPOMIX-GOSISDBHSA-N 0 1 395.503 3.118 20 0 GGADMN CCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283702910 1435907551 /nfs/dbraw/zinc/90/75/51/1435907551.db2.gz YNXVVRFBTPOMIX-SFHVURJKSA-N 0 1 395.503 3.118 20 0 GGADMN O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283739790 1435913792 /nfs/dbraw/zinc/91/37/92/1435913792.db2.gz GTTCXELEHSBCHN-KRWDZBQOSA-N 0 1 398.425 3.022 20 0 GGADMN O=C([C@H]1CCC[N@H+]1C1CC1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283739792 1435914013 /nfs/dbraw/zinc/91/40/13/1435914013.db2.gz GTTCXELEHSBCHN-QGZVFWFLSA-N 0 1 398.425 3.022 20 0 GGADMN COc1ccc(CN(CC2CC2)C(=O)N[C@@H]2CCCc3cn[nH]c32)c(OC)c1 ZINC000283744488 1435914318 /nfs/dbraw/zinc/91/43/18/1435914318.db2.gz FCMFNGDOKSSFFJ-GOSISDBHSA-N 0 1 384.480 3.426 20 0 GGADMN COc1ccc([C@@H](NC(=O)OC(C)(C)C)c2noc(Cc3cc(C)n[nH]3)n2)cc1 ZINC000283768355 1435919789 /nfs/dbraw/zinc/91/97/89/1435919789.db2.gz CMNORZDTVIZGSC-QGZVFWFLSA-N 0 1 399.451 3.315 20 0 GGADMN CN(C)c1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)nc2ccccc21 ZINC000283780136 1435921900 /nfs/dbraw/zinc/92/19/00/1435921900.db2.gz SRPKTZSPUHIZBZ-UHFFFAOYSA-N 0 1 389.503 3.090 20 0 GGADMN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc(OC2CCCC2)cc1 ZINC000283800012 1435926134 /nfs/dbraw/zinc/92/61/34/1435926134.db2.gz AJRHZLMSRHVCAA-UHFFFAOYSA-N 0 1 384.524 3.176 20 0 GGADMN OC[C@H](C[C@@H](O)c1ccccc1)NCc1cnn(Cc2ccccc2)c1Cl ZINC000283829776 1435931466 /nfs/dbraw/zinc/93/14/66/1435931466.db2.gz GUEOQWNDDSRWJE-VQTJNVASSA-N 0 1 385.895 3.159 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)[nH]1 ZINC000283828632 1435931870 /nfs/dbraw/zinc/93/18/70/1435931870.db2.gz GBKUPOSMRYVKOY-GFCCVEGCSA-N 0 1 382.493 3.106 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)[nH]1 ZINC000283828636 1435931968 /nfs/dbraw/zinc/93/19/68/1435931968.db2.gz GBKUPOSMRYVKOY-LBPRGKRZSA-N 0 1 382.493 3.106 20 0 GGADMN COc1cc(CNc2ccc(Cl)c(CN(C)CCO)c2)cc(OC)c1OC ZINC000283842696 1435934929 /nfs/dbraw/zinc/93/49/29/1435934929.db2.gz CMVFCVDKEIFENE-UHFFFAOYSA-N 0 1 394.899 3.402 20 0 GGADMN COC(=O)c1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)n(C)c1C ZINC000283849137 1435936118 /nfs/dbraw/zinc/93/61/18/1435936118.db2.gz DHSBBJFOWZYAEN-UHFFFAOYSA-N 0 1 384.402 3.173 20 0 GGADMN CCOc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc(Cl)c1O ZINC000283859995 1435938935 /nfs/dbraw/zinc/93/89/35/1435938935.db2.gz DUFIDPMCHZDVLD-CQSZACIVSA-N 0 1 376.888 3.362 20 0 GGADMN CCCN(C(=O)c1ccc2cncn2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000283865817 1435940442 /nfs/dbraw/zinc/94/04/42/1435940442.db2.gz IPYBKUILJWHNIR-UHFFFAOYSA-N 0 1 390.487 3.491 20 0 GGADMN FC(F)(F)COCc1ccc(CN[C@@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000283909986 1435950909 /nfs/dbraw/zinc/95/09/09/1435950909.db2.gz DGULRVJQILRCDK-MRXNPFEDSA-N 0 1 377.370 3.158 20 0 GGADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC[C@@H]1CCCC(F)(F)C1 ZINC000283930427 1435956007 /nfs/dbraw/zinc/95/60/07/1435956007.db2.gz VSVCWYJEPUJISU-CYBMUJFWSA-N 0 1 379.411 3.008 20 0 GGADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC2(CCOCC2)CC1 ZINC000283972711 1435964530 /nfs/dbraw/zinc/96/45/30/1435964530.db2.gz CIYUMUMWCBGSDB-QGZVFWFLSA-N 0 1 385.508 3.033 20 0 GGADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000283993272 1435970151 /nfs/dbraw/zinc/97/01/51/1435970151.db2.gz DGNHAWWBFUJTRX-QWHCGFSZSA-N 0 1 396.459 3.436 20 0 GGADMN COCC1(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CCC1 ZINC000284007805 1435972310 /nfs/dbraw/zinc/97/23/10/1435972310.db2.gz QQPGHEDBZSUUFH-UHFFFAOYSA-N 0 1 394.519 3.159 20 0 GGADMN COc1ccc([C@H](NC[C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)cc1 ZINC000284060951 1435983404 /nfs/dbraw/zinc/98/34/04/1435983404.db2.gz KDUXFCSHGRQKDR-FOIQADDNSA-N 0 1 377.481 3.338 20 0 GGADMN COc1ncc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000284071062 1435985088 /nfs/dbraw/zinc/98/50/88/1435985088.db2.gz ASZCIEMHRMSLBX-CHWSQXEVSA-N 0 1 397.928 3.406 20 0 GGADMN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3cncn3c2)c1C ZINC000284095687 1435989770 /nfs/dbraw/zinc/98/97/70/1435989770.db2.gz UCDYFOUFOGNLMV-GOSISDBHSA-N 0 1 380.473 3.105 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)[nH]1 ZINC000284103528 1435991106 /nfs/dbraw/zinc/99/11/06/1435991106.db2.gz TWXUVAKCTUFBHZ-KRWDZBQOSA-N 0 1 380.473 3.334 20 0 GGADMN COc1ncc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000284119800 1435994389 /nfs/dbraw/zinc/99/43/89/1435994389.db2.gz CLISNIODSHTQJP-STQMWFEESA-N 0 1 397.928 3.406 20 0 GGADMN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000284126395 1435995394 /nfs/dbraw/zinc/99/53/94/1435995394.db2.gz VFIABGPLPGDVLA-QGZVFWFLSA-N 0 1 398.482 3.382 20 0 GGADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)[nH]1 ZINC000284166668 1436000909 /nfs/dbraw/zinc/00/09/09/1436000909.db2.gz XLMJQYUQUYVLTF-CYBMUJFWSA-N 0 1 384.509 3.352 20 0 GGADMN CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc4cncn4c3)CC2)cs1 ZINC000284174251 1436001558 /nfs/dbraw/zinc/00/15/58/1436001558.db2.gz XMBIOJJNGPXECK-UHFFFAOYSA-N 0 1 383.521 3.046 20 0 GGADMN C[C@@H]1CCCN(Cc2ccc(NC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2)C1 ZINC000284207295 1436004070 /nfs/dbraw/zinc/00/40/70/1436004070.db2.gz ZOQRTCGNXKQHRD-OAHLLOKOSA-N 0 1 378.538 3.213 20 0 GGADMN O=S1(=O)CCC[C@@H](CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000284278332 1436009185 /nfs/dbraw/zinc/00/91/85/1436009185.db2.gz XWINFTSQPOYNJL-IBGZPJMESA-N 0 1 399.556 3.462 20 0 GGADMN COc1cnc2ccccc2c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000284313443 1436012498 /nfs/dbraw/zinc/01/24/98/1436012498.db2.gz HLIJYBOWUSFZHW-CQSZACIVSA-N 0 1 377.448 3.259 20 0 GGADMN CC(C)(C)c1ncc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cn1 ZINC000284327045 1436013472 /nfs/dbraw/zinc/01/34/72/1436013472.db2.gz KKMZQQGIXPPIKF-UHFFFAOYSA-N 0 1 396.491 3.354 20 0 GGADMN COc1ncc([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)cc1Cl ZINC000284335803 1436014050 /nfs/dbraw/zinc/01/40/50/1436014050.db2.gz MNLLZLFNCXVKOZ-AWEZNQCLSA-N 0 1 389.883 3.067 20 0 GGADMN CCCCOc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000284339803 1436014495 /nfs/dbraw/zinc/01/44/95/1436014495.db2.gz MSUWOKAFMBKUSN-QGZVFWFLSA-N 0 1 391.533 3.482 20 0 GGADMN COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000284364220 1436016271 /nfs/dbraw/zinc/01/62/71/1436016271.db2.gz DOPISXKXUZLTFZ-UHFFFAOYSA-N 0 1 395.507 3.148 20 0 GGADMN O=C(CN1CCC[C@@H]1[C@@H]1CCCO1)NCc1cccc(COCc2ccco2)c1 ZINC000284377807 1436017274 /nfs/dbraw/zinc/01/72/74/1436017274.db2.gz FJECJJUNFLMOMI-YADHBBJMSA-N 0 1 398.503 3.256 20 0 GGADMN O=C(CN1CCC[C@H]1[C@@H]1CCCO1)NCc1cccc(COCc2ccco2)c1 ZINC000284377804 1436017360 /nfs/dbraw/zinc/01/73/60/1436017360.db2.gz FJECJJUNFLMOMI-VXKWHMMOSA-N 0 1 398.503 3.256 20 0 GGADMN COc1ccc([C@H](CN(C)C)NC(=O)CCC(=O)c2ccc(F)cc2F)cc1 ZINC000284396208 1436018704 /nfs/dbraw/zinc/01/87/04/1436018704.db2.gz PLECRPOGACCZFE-IBGZPJMESA-N 0 1 390.430 3.355 20 0 GGADMN COc1ccc(NC(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)cc1Cl ZINC000284402037 1436018896 /nfs/dbraw/zinc/01/88/96/1436018896.db2.gz CHUKJSWMBIDICT-OCCSQVGLSA-N 0 1 391.859 3.338 20 0 GGADMN COc1cc(Cl)c(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1Cl ZINC000284415697 1436020226 /nfs/dbraw/zinc/02/02/26/1436020226.db2.gz CJZLXSOKKDGJLC-RDTXWAMCSA-N 0 1 397.306 3.187 20 0 GGADMN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000284432987 1436021522 /nfs/dbraw/zinc/02/15/22/1436021522.db2.gz RLVDQVDUGSFJEC-MSOLQXFVSA-N 0 1 384.455 3.090 20 0 GGADMN COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000284443493 1436022266 /nfs/dbraw/zinc/02/22/66/1436022266.db2.gz FUOOTMIHOSLYCC-RHSMWYFYSA-N 0 1 397.306 3.187 20 0 GGADMN COc1ncc([C@@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1Cl ZINC000284449505 1436022524 /nfs/dbraw/zinc/02/25/24/1436022524.db2.gz SJODEVNXOZKMCP-UONOGXRCSA-N 0 1 376.888 3.215 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000284479122 1436024565 /nfs/dbraw/zinc/02/45/65/1436024565.db2.gz FHCLHAHMUQENJT-HIFRSBDPSA-N 0 1 382.424 3.126 20 0 GGADMN COc1ccc(-c2nc(CN3C[C@H](OC)C[C@H]3c3n[nH]c(C)n3)cs2)cc1 ZINC000284476921 1436024683 /nfs/dbraw/zinc/02/46/83/1436024683.db2.gz FDZGIIQAMXZMMQ-SJORKVTESA-N 0 1 385.493 3.207 20 0 GGADMN CCc1cnc(NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)s1 ZINC000284480499 1436025050 /nfs/dbraw/zinc/02/50/50/1436025050.db2.gz AXVPEMGWLUJCOO-SUMWQHHRSA-N 0 1 388.541 3.176 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000284490938 1436025746 /nfs/dbraw/zinc/02/57/46/1436025746.db2.gz HIFVKTKJXQDROO-CABCVRRESA-N 0 1 395.467 3.217 20 0 GGADMN CCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000284496939 1436026269 /nfs/dbraw/zinc/02/62/69/1436026269.db2.gz UTHYHPAQXNJKFJ-KRWDZBQOSA-N 0 1 392.507 3.252 20 0 GGADMN COc1ccc(NC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c(C)c1 ZINC000284508111 1436026944 /nfs/dbraw/zinc/02/69/44/1436026944.db2.gz DTRZUQMJABJLRN-HRAATJIYSA-N 0 1 397.523 3.474 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2ccnc(Cc3ccccc3)n2)C1 ZINC000284512819 1436027143 /nfs/dbraw/zinc/02/71/43/1436027143.db2.gz JJUOXMBHASRNIJ-SJORKVTESA-N 0 1 376.464 3.029 20 0 GGADMN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284514459 1436027430 /nfs/dbraw/zinc/02/74/30/1436027430.db2.gz BDLZSKLILXNWBU-DENIHFKCSA-N 0 1 392.499 3.154 20 0 GGADMN Cc1ccc2c(CN3CCC[C@@](O)(c4cn(C(C)C)nn4)C3)cc(=O)oc2c1C ZINC000284547748 1436029431 /nfs/dbraw/zinc/02/94/31/1436029431.db2.gz HFKGPPFXSCWKMQ-QFIPXVFZSA-N 0 1 396.491 3.066 20 0 GGADMN Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)s1 ZINC000284548857 1436029765 /nfs/dbraw/zinc/02/97/65/1436029765.db2.gz ACAUUEJUVGHBTC-HNAYVOBHSA-N 0 1 387.553 3.205 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000284574256 1436031463 /nfs/dbraw/zinc/03/14/63/1436031463.db2.gz KNFKZXLMVVZSLG-KDOFPFPSSA-N 0 1 397.866 3.431 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000284580908 1436031883 /nfs/dbraw/zinc/03/18/83/1436031883.db2.gz LATNWUPMAWMIEL-SJORKVTESA-N 0 1 397.504 3.076 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(-c3ccccc3Cl)on2)C1 ZINC000284583560 1436031958 /nfs/dbraw/zinc/03/19/58/1436031958.db2.gz LJKMVAFUQAEDEA-ABAIWWIYSA-N 0 1 387.827 3.024 20 0 GGADMN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000284598902 1436033209 /nfs/dbraw/zinc/03/32/09/1436033209.db2.gz BLNQULPIPOXCKP-NIKGAXFTSA-N 0 1 395.463 3.254 20 0 GGADMN Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2cccc(F)c2F)CCCN1C1CC1 ZINC000284601280 1436033341 /nfs/dbraw/zinc/03/33/41/1436033341.db2.gz JTMYDSUUTSDZQE-ORAYPTAESA-N 0 1 389.450 3.436 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Cc2csc(-c3cccc(C)c3)n2)C1 ZINC000284608693 1436034059 /nfs/dbraw/zinc/03/40/59/1436034059.db2.gz NUEYKYUQQVHZHP-SJORKVTESA-N 0 1 397.504 3.076 20 0 GGADMN CCN(CC)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccco1)c1ccsc1 ZINC000284611417 1436034455 /nfs/dbraw/zinc/03/44/55/1436034455.db2.gz QBIQPWWUZSPGMK-GOEBONIOSA-N 0 1 377.510 3.060 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000284622575 1436035341 /nfs/dbraw/zinc/03/53/41/1436035341.db2.gz LFDPTUHBIKEGOF-MSOLQXFVSA-N 0 1 396.495 3.276 20 0 GGADMN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000284622364 1436035358 /nfs/dbraw/zinc/03/53/58/1436035358.db2.gz BBQDFAAQGGMOMM-OKZBNKHCSA-N 0 1 391.899 3.448 20 0 GGADMN Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284627046 1436035540 /nfs/dbraw/zinc/03/55/40/1436035540.db2.gz UKGGLBZRBLUVMD-GHTZIAJQSA-N 0 1 381.524 3.143 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCCCc2nc[nH]n2)c1 ZINC000284629857 1436035869 /nfs/dbraw/zinc/03/58/69/1436035869.db2.gz QBQFNIYKZJIVKS-UHFFFAOYSA-N 0 1 378.408 3.045 20 0 GGADMN COc1ccc(CN(C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C2CC2)c(OC)c1 ZINC000284656665 1436038083 /nfs/dbraw/zinc/03/80/83/1436038083.db2.gz GFADNBYWVKEQAS-HZPDHXFCSA-N 0 1 381.538 3.129 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000284677937 1436039437 /nfs/dbraw/zinc/03/94/37/1436039437.db2.gz WFQWXHWRXKEJQD-OCCSQVGLSA-N 0 1 383.374 3.212 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2cccc(Oc3ccccn3)c2)C1 ZINC000284705589 1436041442 /nfs/dbraw/zinc/04/14/42/1436041442.db2.gz ZIVYMLITJJCFBA-SJORKVTESA-N 0 1 394.435 3.294 20 0 GGADMN C[C@H](C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C)c1cccc(F)c1 ZINC000284705609 1436041538 /nfs/dbraw/zinc/04/15/38/1436041538.db2.gz ZJGBZTCCGPFDPB-HZUJVAHNSA-N 0 1 384.499 3.395 20 0 GGADMN C[C@@H](CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C)Cc1cccc(F)c1 ZINC000284708967 1436041818 /nfs/dbraw/zinc/04/18/18/1436041818.db2.gz ZUERVWAWGSIRPA-TVTNDZMWSA-N 0 1 386.515 3.327 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284715398 1436042449 /nfs/dbraw/zinc/04/24/49/1436042449.db2.gz JAOZKHXZFWCQJF-QUCCMNQESA-N 0 1 381.520 3.271 20 0 GGADMN CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284715400 1436042477 /nfs/dbraw/zinc/04/24/77/1436042477.db2.gz JAOZKHXZFWCQJF-UYAOXDASSA-N 0 1 381.520 3.271 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000284715419 1436042512 /nfs/dbraw/zinc/04/25/12/1436042512.db2.gz JAXGSJJDFRKLSL-CQSZACIVSA-N 0 1 394.924 3.101 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000284721659 1436042924 /nfs/dbraw/zinc/04/29/24/1436042924.db2.gz JKYAAXGDMGBWMU-OAHLLOKOSA-N 0 1 386.517 3.258 20 0 GGADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)n[nH]1 ZINC000284735855 1436044525 /nfs/dbraw/zinc/04/45/25/1436044525.db2.gz BZBWTPYBHCIHPY-KGLIPLIRSA-N 0 1 397.483 3.454 20 0 GGADMN CN1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000284748782 1436045778 /nfs/dbraw/zinc/04/57/78/1436045778.db2.gz LIGKZCLTJHDANC-HSZRJFAPSA-N 0 1 392.547 3.084 20 0 GGADMN Cn1nccc1[C@H]1[C@H](N[C@H]2CCc3c2c(F)ccc3F)CCC(=O)N1C1CC1 ZINC000284750256 1436046168 /nfs/dbraw/zinc/04/61/68/1436046168.db2.gz FWESHQDYKKFMFK-CSODHUTKSA-N 0 1 386.446 3.170 20 0 GGADMN COCCc1nc(C)c([C@@H](C)N[C@H](c2nccn2C)C2CCOCC2)s1 ZINC000284751895 1436046542 /nfs/dbraw/zinc/04/65/42/1436046542.db2.gz FYCQNKSPHGVOQG-PBHICJAKSA-N 0 1 378.542 3.192 20 0 GGADMN COCCc1nc(C)c([C@H](C)N[C@H](c2nccn2C)C2CCOCC2)s1 ZINC000284751898 1436046571 /nfs/dbraw/zinc/04/65/71/1436046571.db2.gz FYCQNKSPHGVOQG-YOEHRIQHSA-N 0 1 378.542 3.192 20 0 GGADMN COc1ccc(Cl)c(NC(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)c1 ZINC000284757061 1436046818 /nfs/dbraw/zinc/04/68/18/1436046818.db2.gz WAWUIPBAHPYLSN-DOMZBBRYSA-N 0 1 391.859 3.338 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000284757562 1436046961 /nfs/dbraw/zinc/04/69/61/1436046961.db2.gz OJSNOZIHUKGOPU-OLZOCXBDSA-N 0 1 385.346 3.006 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000284761572 1436047423 /nfs/dbraw/zinc/04/74/23/1436047423.db2.gz OUELHMXMBKECIW-RISCZKNCSA-N 0 1 379.823 3.469 20 0 GGADMN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000284763821 1436047614 /nfs/dbraw/zinc/04/76/14/1436047614.db2.gz MLXQUSKWCMQMRG-JTSKRJEESA-N 0 1 379.504 3.075 20 0 GGADMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000284771365 1436048386 /nfs/dbraw/zinc/04/83/86/1436048386.db2.gz SYYWQJWNPYLRSH-UHFFFAOYSA-N 0 1 384.871 3.164 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)NCC(=O)NCCC2=CCCCC2)cc1 ZINC000284777416 1436048955 /nfs/dbraw/zinc/04/89/55/1436048955.db2.gz NREMPHHEPFUFTP-MRXNPFEDSA-N 0 1 378.538 3.138 20 0 GGADMN Cn1ccc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2c1=O ZINC000284782351 1436049531 /nfs/dbraw/zinc/04/95/31/1436049531.db2.gz GJALJPPLJRZMBB-SFHVURJKSA-N 0 1 380.448 3.090 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000284785350 1436049642 /nfs/dbraw/zinc/04/96/42/1436049642.db2.gz IKECALQCBCASNC-ZBFHGGJFSA-N 0 1 398.442 3.142 20 0 GGADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000284787932 1436049855 /nfs/dbraw/zinc/04/98/55/1436049855.db2.gz RBCJCORYFPQXFG-QAPCUYQASA-N 0 1 384.484 3.097 20 0 GGADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000284795445 1436050604 /nfs/dbraw/zinc/05/06/04/1436050604.db2.gz OYRPICOTHLCUQK-CHWSQXEVSA-N 0 1 395.912 3.206 20 0 GGADMN FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cc1 ZINC000822724090 1441426413 /nfs/dbraw/zinc/42/64/13/1441426413.db2.gz YRNXYDBJFITJOJ-LBPRGKRZSA-N 0 1 394.426 3.316 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NC[C@@H]3OCCc4ccccc43)c2c1 ZINC000822195355 1441430834 /nfs/dbraw/zinc/43/08/34/1441430834.db2.gz PPGRYUBNSFRKBC-IBGZPJMESA-N 0 1 386.459 3.180 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000820412858 1441443524 /nfs/dbraw/zinc/44/35/24/1441443524.db2.gz MWZMEFSRZHWOQY-UONOGXRCSA-N 0 1 378.436 3.235 20 0 GGADMN CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)CC1CCN(c2ccccn2)CC1 ZINC000825428544 1441444527 /nfs/dbraw/zinc/44/45/27/1441444527.db2.gz PWOYMBXOGFEZLM-UHFFFAOYSA-N 0 1 383.525 3.062 20 0 GGADMN CC[N@@H+](Cc1cc(-c2nn[n-]n2)cs1)CC1CCN(c2ccccn2)CC1 ZINC000825428544 1441444529 /nfs/dbraw/zinc/44/45/29/1441444529.db2.gz PWOYMBXOGFEZLM-UHFFFAOYSA-N 0 1 383.525 3.062 20 0 GGADMN CC[N@H+](Cc1cc(-c2nn[n-]n2)cs1)CC1CCN(c2ccccn2)CC1 ZINC000825428544 1441444533 /nfs/dbraw/zinc/44/45/33/1441444533.db2.gz PWOYMBXOGFEZLM-UHFFFAOYSA-N 0 1 383.525 3.062 20 0 GGADMN Fc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826377890 1441449993 /nfs/dbraw/zinc/44/99/93/1441449993.db2.gz KZWANNTWHRXKAU-OAQYLSRUSA-N 0 1 392.482 3.247 20 0 GGADMN C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613426 1441453436 /nfs/dbraw/zinc/45/34/36/1441453436.db2.gz NCQYMUBMCPMPRD-INIZCTEOSA-N 0 1 377.370 3.051 20 0 GGADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736332592 1441456868 /nfs/dbraw/zinc/45/68/68/1441456868.db2.gz RWLVYWKXBROJOU-RDTXWAMCSA-N 0 1 380.500 3.292 20 0 GGADMN C[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccccc2)CO1 ZINC000820760633 1441470345 /nfs/dbraw/zinc/47/03/45/1441470345.db2.gz RHLIUZAEXBPXKN-OXJNMPFZSA-N 0 1 379.464 3.098 20 0 GGADMN C[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)[C@@H](c2ccccc2)CO1 ZINC000820760633 1441470348 /nfs/dbraw/zinc/47/03/48/1441470348.db2.gz RHLIUZAEXBPXKN-OXJNMPFZSA-N 0 1 379.464 3.098 20 0 GGADMN O[C@H](C[N@H+]1CC[C@H](CSc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823674540 1441470734 /nfs/dbraw/zinc/47/07/34/1441470734.db2.gz RFWQSLIFSNBMGE-HNAYVOBHSA-N 0 1 381.505 3.014 20 0 GGADMN O[C@H](C[N@@H+]1CC[C@H](CSc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823674540 1441470737 /nfs/dbraw/zinc/47/07/37/1441470737.db2.gz RFWQSLIFSNBMGE-HNAYVOBHSA-N 0 1 381.505 3.014 20 0 GGADMN O[C@H](C[N@H+]1CC[C@H](CSc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823674540 1441470739 /nfs/dbraw/zinc/47/07/39/1441470739.db2.gz RFWQSLIFSNBMGE-HNAYVOBHSA-N 0 1 381.505 3.014 20 0 GGADMN CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CC1 ZINC000820862236 1441471232 /nfs/dbraw/zinc/47/12/32/1441471232.db2.gz PWVJMXBVZZWBQE-PWSUYJOCSA-N 0 1 376.530 3.383 20 0 GGADMN CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824184836 1441473291 /nfs/dbraw/zinc/47/32/91/1441473291.db2.gz LZENTTYGOZQNKK-CYBMUJFWSA-N 0 1 382.443 3.451 20 0 GGADMN Fc1c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cccc1-c1nn[n-]n1 ZINC000826370769 1441474170 /nfs/dbraw/zinc/47/41/70/1441474170.db2.gz GQQZWXZDVYROPZ-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN C[C@H]([NH2+]CCn1ccccc1=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824604648 1441483589 /nfs/dbraw/zinc/48/35/89/1441483589.db2.gz CRWMYPYJHGQNRV-INIZCTEOSA-N 0 1 386.459 3.046 20 0 GGADMN OC1CC[NH+](Cc2ccccc2CNc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000823706804 1441486010 /nfs/dbraw/zinc/48/60/10/1441486010.db2.gz PCSJNVLTDWHZFM-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737420254 1441492283 /nfs/dbraw/zinc/49/22/83/1441492283.db2.gz DYADMGLPHNBCOS-CQSZACIVSA-N 0 1 396.882 3.257 20 0 GGADMN Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000822335236 1441496743 /nfs/dbraw/zinc/49/67/43/1441496743.db2.gz JECIZJLBVBQYQE-OAHLLOKOSA-N 0 1 379.512 3.069 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000822335236 1441496745 /nfs/dbraw/zinc/49/67/45/1441496745.db2.gz JECIZJLBVBQYQE-OAHLLOKOSA-N 0 1 379.512 3.069 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000822335236 1441496747 /nfs/dbraw/zinc/49/67/47/1441496747.db2.gz JECIZJLBVBQYQE-OAHLLOKOSA-N 0 1 379.512 3.069 20 0 GGADMN O=C(CC[N@H+]1CCCc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737842830 1441499105 /nfs/dbraw/zinc/49/91/05/1441499105.db2.gz DBQAEYDLBCILOT-UHFFFAOYSA-N 0 1 396.882 3.297 20 0 GGADMN O=C(CC[N@@H+]1CCCc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737842830 1441499107 /nfs/dbraw/zinc/49/91/07/1441499107.db2.gz DBQAEYDLBCILOT-UHFFFAOYSA-N 0 1 396.882 3.297 20 0 GGADMN O=C(CC[N@H+]1CCCc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737842830 1441499109 /nfs/dbraw/zinc/49/91/09/1441499109.db2.gz DBQAEYDLBCILOT-UHFFFAOYSA-N 0 1 396.882 3.297 20 0 GGADMN c1sc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1-c1nn[n-]n1 ZINC000826521309 1441506039 /nfs/dbraw/zinc/50/60/39/1441506039.db2.gz HLSBVTMOFPPRPQ-OAQYLSRUSA-N 0 1 394.548 3.416 20 0 GGADMN c1sc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1-c1nnn[n-]1 ZINC000826521309 1441506041 /nfs/dbraw/zinc/50/60/41/1441506041.db2.gz HLSBVTMOFPPRPQ-OAQYLSRUSA-N 0 1 394.548 3.416 20 0 GGADMN c1sc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1-c1nnn[n-]1 ZINC000826521309 1441506043 /nfs/dbraw/zinc/50/60/43/1441506043.db2.gz HLSBVTMOFPPRPQ-OAQYLSRUSA-N 0 1 394.548 3.416 20 0 GGADMN CC[C@H]1COCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825218059 1441506471 /nfs/dbraw/zinc/50/64/71/1441506471.db2.gz BHBGQDIANAWWAW-SFHVURJKSA-N 0 1 379.464 3.057 20 0 GGADMN CC[C@H]1COCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825218059 1441506472 /nfs/dbraw/zinc/50/64/72/1441506472.db2.gz BHBGQDIANAWWAW-SFHVURJKSA-N 0 1 379.464 3.057 20 0 GGADMN Brc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc1 ZINC000735369815 1441509564 /nfs/dbraw/zinc/50/95/64/1441509564.db2.gz XJTDWEJOJCSSHT-UHFFFAOYSA-N 0 1 385.269 3.189 20 0 GGADMN Brc1ccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc1 ZINC000735369815 1441509566 /nfs/dbraw/zinc/50/95/66/1441509566.db2.gz XJTDWEJOJCSSHT-UHFFFAOYSA-N 0 1 385.269 3.189 20 0 GGADMN Brc1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc1 ZINC000735369815 1441509568 /nfs/dbraw/zinc/50/95/68/1441509568.db2.gz XJTDWEJOJCSSHT-UHFFFAOYSA-N 0 1 385.269 3.189 20 0 GGADMN CCOc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000825643694 1441513909 /nfs/dbraw/zinc/51/39/09/1441513909.db2.gz RQFXQZZOFFWPSH-UHFFFAOYSA-N 0 1 396.470 3.481 20 0 GGADMN COc1ccc2c(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)cc[nH+]c2c1 ZINC000826212540 1441517629 /nfs/dbraw/zinc/51/76/29/1441517629.db2.gz UFNYAOXGMQOZPH-UHFFFAOYSA-N 0 1 398.430 3.426 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000820086757 1441522821 /nfs/dbraw/zinc/52/28/21/1441522821.db2.gz DQSIVOIETWWANQ-UHFFFAOYSA-N 0 1 388.479 3.106 20 0 GGADMN Cn1c(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nc2cc(C(F)(F)F)ccc21 ZINC000822595748 1441542060 /nfs/dbraw/zinc/54/20/60/1441542060.db2.gz COUURJQEVPYECP-UHFFFAOYSA-N 0 1 387.369 3.062 20 0 GGADMN CC1(C)CC(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000736210111 1441543508 /nfs/dbraw/zinc/54/35/08/1441543508.db2.gz FJQBDPVRDYTMGL-UHFFFAOYSA-N 0 1 393.948 3.116 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)CCc1ccc(Cl)cc1 ZINC000736791259 1441550329 /nfs/dbraw/zinc/55/03/29/1441550329.db2.gz CIDLYUMLHOPIEQ-UHFFFAOYSA-N 0 1 384.871 3.023 20 0 GGADMN C[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CCc1ccc(Cl)cc1 ZINC000736791259 1441550331 /nfs/dbraw/zinc/55/03/31/1441550331.db2.gz CIDLYUMLHOPIEQ-UHFFFAOYSA-N 0 1 384.871 3.023 20 0 GGADMN C[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CCc1ccc(Cl)cc1 ZINC000736791259 1441550334 /nfs/dbraw/zinc/55/03/34/1441550334.db2.gz CIDLYUMLHOPIEQ-UHFFFAOYSA-N 0 1 384.871 3.023 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000738432222 1441555176 /nfs/dbraw/zinc/55/51/76/1441555176.db2.gz FCEYUEPFAJYZLG-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@@H+]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000738432222 1441555178 /nfs/dbraw/zinc/55/51/78/1441555178.db2.gz FCEYUEPFAJYZLG-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN c1ccc(C[N@H+]2CCCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000738432222 1441555179 /nfs/dbraw/zinc/55/51/79/1441555179.db2.gz FCEYUEPFAJYZLG-UHFFFAOYSA-N 0 1 385.475 3.127 20 0 GGADMN C[NH+](C)C1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCCCC1 ZINC000736755676 1441566768 /nfs/dbraw/zinc/56/67/68/1441566768.db2.gz CVMXITGQTPNFQG-UHFFFAOYSA-N 0 1 387.438 3.370 20 0 GGADMN CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821457643 1441574186 /nfs/dbraw/zinc/57/41/86/1441574186.db2.gz YYIVSKLTGUGNOC-CYBMUJFWSA-N 0 1 394.570 3.091 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@H](Cc4ccncc4)C3)c2c1 ZINC000826263634 1441585622 /nfs/dbraw/zinc/58/56/22/1441585622.db2.gz KXOKELSFCVTKDP-QGZVFWFLSA-N 0 1 385.475 3.496 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557168 1441592052 /nfs/dbraw/zinc/59/20/52/1441592052.db2.gz HAXHQQKJFZSDDT-UHFFFAOYSA-N 0 1 382.493 3.148 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822557168 1441592055 /nfs/dbraw/zinc/59/20/55/1441592055.db2.gz HAXHQQKJFZSDDT-UHFFFAOYSA-N 0 1 382.493 3.148 20 0 GGADMN Cc1ccc(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)c(OC[C@@H]2CCOC2)c1 ZINC000822238876 1441602342 /nfs/dbraw/zinc/60/23/42/1441602342.db2.gz YHCLJVYWYRNJAQ-MRXNPFEDSA-N 0 1 394.479 3.214 20 0 GGADMN C[N@@H+](CCc1cccc2ccccc21)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825946193 1441605566 /nfs/dbraw/zinc/60/55/66/1441605566.db2.gz MUNJJENCOBGMBD-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN C[N@H+](CCc1cccc2ccccc21)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825946193 1441605571 /nfs/dbraw/zinc/60/55/71/1441605571.db2.gz MUNJJENCOBGMBD-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN C[N@@H+](CCc1cccc2ccccc21)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825946193 1441605573 /nfs/dbraw/zinc/60/55/73/1441605573.db2.gz MUNJJENCOBGMBD-UHFFFAOYSA-N 0 1 383.459 3.342 20 0 GGADMN COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000821777433 1441611952 /nfs/dbraw/zinc/61/19/52/1441611952.db2.gz FFVURAPUABOGIM-AWEZNQCLSA-N 0 1 399.520 3.468 20 0 GGADMN CC1CC[NH+](Cc2cccc(CNCc3cc(-c4nnn[n-]4)cs3)c2)CC1 ZINC000820722720 1441629032 /nfs/dbraw/zinc/62/90/32/1441629032.db2.gz MRDROLBEQBFFPY-UHFFFAOYSA-N 0 1 382.537 3.450 20 0 GGADMN C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825946367 1441630823 /nfs/dbraw/zinc/63/08/23/1441630823.db2.gz VJQHJIMNEVMEMH-UHFFFAOYSA-N 0 1 399.882 3.356 20 0 GGADMN C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825946367 1441630827 /nfs/dbraw/zinc/63/08/27/1441630827.db2.gz VJQHJIMNEVMEMH-UHFFFAOYSA-N 0 1 399.882 3.356 20 0 GGADMN C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825946367 1441630829 /nfs/dbraw/zinc/63/08/29/1441630829.db2.gz VJQHJIMNEVMEMH-UHFFFAOYSA-N 0 1 399.882 3.356 20 0 GGADMN COc1ccc(OC(F)F)c(CNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000821838836 1441636703 /nfs/dbraw/zinc/63/67/03/1441636703.db2.gz QHGCXDJZBIBOMH-UHFFFAOYSA-N 0 1 376.367 3.101 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736236353 1441637514 /nfs/dbraw/zinc/63/75/14/1441637514.db2.gz ROTOFLAAGWZBCA-ZBFHGGJFSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236353 1441637517 /nfs/dbraw/zinc/63/75/17/1441637517.db2.gz ROTOFLAAGWZBCA-ZBFHGGJFSA-N 0 1 394.454 3.212 20 0 GGADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736236353 1441637519 /nfs/dbraw/zinc/63/75/19/1441637519.db2.gz ROTOFLAAGWZBCA-ZBFHGGJFSA-N 0 1 394.454 3.212 20 0 GGADMN CC[N@@H+]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825453220 1441645676 /nfs/dbraw/zinc/64/56/76/1441645676.db2.gz UOVRLWIKWXSQBA-PBHICJAKSA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@H+]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000825453220 1441645680 /nfs/dbraw/zinc/64/56/80/1441645680.db2.gz UOVRLWIKWXSQBA-PBHICJAKSA-N 0 1 387.850 3.302 20 0 GGADMN Cc1cccc(C(=O)N2CCC[N@H+]([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737382573 1441670181 /nfs/dbraw/zinc/67/01/81/1441670181.db2.gz YMQVZTIUELKNIN-KRWDZBQOSA-N 0 1 390.491 3.084 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826184265 1441672380 /nfs/dbraw/zinc/67/23/80/1441672380.db2.gz QMKFXZAPTFKYQG-KXBFYZLASA-N 0 1 379.464 3.133 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(c2ccccc2C)CC1 ZINC000736903323 1441683686 /nfs/dbraw/zinc/68/36/86/1441683686.db2.gz ZSJNFJVYBDJBEO-HXUWFJFHSA-N 0 1 391.475 3.269 20 0 GGADMN COc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826194679 1441706101 /nfs/dbraw/zinc/70/61/01/1441706101.db2.gz SKXUOLSBLGPEIO-UHFFFAOYSA-N 0 1 379.464 3.057 20 0 GGADMN C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c2ccccc21 ZINC000820690193 1441718722 /nfs/dbraw/zinc/71/87/22/1441718722.db2.gz HHKBTKUAENQGFZ-MGPUTAFESA-N 0 1 389.507 3.459 20 0 GGADMN O=C(CC1CCCCCC1)N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822941171 1441720904 /nfs/dbraw/zinc/72/09/04/1441720904.db2.gz SEZZQCHTOYSFES-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN O=C(CC1CCCCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822941171 1441720909 /nfs/dbraw/zinc/72/09/09/1441720909.db2.gz SEZZQCHTOYSFES-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN O=C(CC1CCCCCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822941171 1441720914 /nfs/dbraw/zinc/72/09/14/1441720914.db2.gz SEZZQCHTOYSFES-UHFFFAOYSA-N 0 1 396.539 3.262 20 0 GGADMN C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824546946 1441724182 /nfs/dbraw/zinc/72/41/82/1441724182.db2.gz LWBJTUAOZHDOLW-YOEHRIQHSA-N 0 1 386.500 3.307 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)C1CCCCC1 ZINC000819940281 1441727343 /nfs/dbraw/zinc/72/73/43/1441727343.db2.gz VPHMBZUYQHXJCZ-OAHLLOKOSA-N 0 1 390.488 3.023 20 0 GGADMN CCOCOc1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825605132 1441731970 /nfs/dbraw/zinc/73/19/70/1441731970.db2.gz QXYWJGJZOFDSJT-UHFFFAOYSA-N 0 1 379.464 3.404 20 0 GGADMN C[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824599878 1441734257 /nfs/dbraw/zinc/73/42/57/1441734257.db2.gz UDMSGHAUGSAOSP-OAHLLOKOSA-N 0 1 386.463 3.086 20 0 GGADMN CCOC1CC[NH+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000825583686 1441747908 /nfs/dbraw/zinc/74/79/08/1441747908.db2.gz WHCLBEVUJYYYTN-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN FC(F)Oc1ccc([C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826369380 1441752695 /nfs/dbraw/zinc/75/26/95/1441752695.db2.gz ADKUYALLTNPSAA-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1ccc([C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CCO2)cc1 ZINC000826369380 1441752698 /nfs/dbraw/zinc/75/26/98/1441752698.db2.gz ADKUYALLTNPSAA-KRWDZBQOSA-N 0 1 387.390 3.042 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000821651580 1441754410 /nfs/dbraw/zinc/75/44/10/1441754410.db2.gz BXELAIROYKMWJL-FUHWJXTLSA-N 0 1 397.866 3.224 20 0 GGADMN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000821651580 1441754413 /nfs/dbraw/zinc/75/44/13/1441754413.db2.gz BXELAIROYKMWJL-FUHWJXTLSA-N 0 1 397.866 3.224 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821188792 1441758458 /nfs/dbraw/zinc/75/84/58/1441758458.db2.gz CSEFXKNGZLUNIC-UHFFFAOYSA-N 0 1 388.413 3.102 20 0 GGADMN C[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413719 1441759592 /nfs/dbraw/zinc/75/95/92/1441759592.db2.gz UVFJPTLJLUFQCA-MRXNPFEDSA-N 0 1 394.498 3.364 20 0 GGADMN C[C@H]1C[NH+](Cc2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736288144 1441771943 /nfs/dbraw/zinc/77/19/43/1441771943.db2.gz RBVHHDKCYDSGGB-GJZGRUSLSA-N 0 1 396.470 3.227 20 0 GGADMN CCN(Cc1ccc(-c2nn[n-]n2)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821221050 1441772196 /nfs/dbraw/zinc/77/21/96/1441772196.db2.gz HSWRWEMWDLZHKI-SFHVURJKSA-N 0 1 394.498 3.350 20 0 GGADMN CCN(Cc1ccc(-c2nnn[n-]2)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821221050 1441772198 /nfs/dbraw/zinc/77/21/98/1441772198.db2.gz HSWRWEMWDLZHKI-SFHVURJKSA-N 0 1 394.498 3.350 20 0 GGADMN CCN(Cc1ccc(-c2nnn[n-]2)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821221050 1441772201 /nfs/dbraw/zinc/77/22/01/1441772201.db2.gz HSWRWEMWDLZHKI-SFHVURJKSA-N 0 1 394.498 3.350 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000737627366 1441793974 /nfs/dbraw/zinc/79/39/74/1441793974.db2.gz QISKLAXHNYLCTR-UHFFFAOYSA-N 0 1 394.426 3.269 20 0 GGADMN COC(=O)c1ccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1F ZINC000821668690 1441806188 /nfs/dbraw/zinc/80/61/88/1441806188.db2.gz DTTZSZLJJTVZNT-UHFFFAOYSA-N 0 1 397.454 3.451 20 0 GGADMN C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820409892 1441809040 /nfs/dbraw/zinc/80/90/40/1441809040.db2.gz BLVXQEBSXUILDP-JQFCIGGWSA-N 0 1 386.500 3.211 20 0 GGADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)[NH+](C)C)cc1 ZINC000822230683 1441810998 /nfs/dbraw/zinc/81/09/98/1441810998.db2.gz NMNWYVAUVQENRM-QGZVFWFLSA-N 0 1 399.886 3.253 20 0 GGADMN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819933647 1441811623 /nfs/dbraw/zinc/81/16/23/1441811623.db2.gz YKHIDAHLBHXXRD-GOSISDBHSA-N 0 1 394.479 3.222 20 0 GGADMN Cc1cccc2c(N[C@H](C)C[C@@H](O)c3ccc(F)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822335734 1441816899 /nfs/dbraw/zinc/81/68/99/1441816899.db2.gz LGTKDHIRBIIFGJ-FZKQIMNGSA-N 0 1 392.438 3.208 20 0 GGADMN COc1ccccc1[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC000821883551 1441822055 /nfs/dbraw/zinc/82/20/55/1441822055.db2.gz XMMKDBPPZWMUBI-HNNXBMFYSA-N 0 1 399.886 3.173 20 0 GGADMN FC(F)(F)c1cc([C@@H]2CCC[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)C2)[nH]n1 ZINC000826368413 1441823409 /nfs/dbraw/zinc/82/34/09/1441823409.db2.gz OOCODPBMQYXJBY-SECBINFHSA-N 0 1 383.403 3.050 20 0 GGADMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824237137 1441826040 /nfs/dbraw/zinc/82/60/40/1441826040.db2.gz RCLXFNKYOMZDAU-YOEHRIQHSA-N 0 1 388.516 3.457 20 0 GGADMN Fc1cccc(CN2CC[C@@]23CCC[N@@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)c1 ZINC001139091726 1441829019 /nfs/dbraw/zinc/82/90/19/1441829019.db2.gz HMPXJFKDDFEGGE-JOCHJYFZSA-N 0 1 392.482 3.246 20 0 GGADMN CC[C@@H](NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1nccs1 ZINC000825139082 1441834720 /nfs/dbraw/zinc/83/47/20/1441834720.db2.gz BJQLZAGWUFLFCT-QGZVFWFLSA-N 0 1 383.525 3.029 20 0 GGADMN CC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1nccs1 ZINC000825139082 1441834726 /nfs/dbraw/zinc/83/47/26/1441834726.db2.gz BJQLZAGWUFLFCT-QGZVFWFLSA-N 0 1 383.525 3.029 20 0 GGADMN c1ccc([C@H]([NH2+]CCCOc2ccc(-c3nnn[n-]3)cc2)[C@H]2CCOC2)cc1 ZINC000826520196 1441836820 /nfs/dbraw/zinc/83/68/20/1441836820.db2.gz CHPSHCBSNWGYCA-ICSRJNTNSA-N 0 1 379.464 3.003 20 0 GGADMN Fc1ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000822778631 1441844200 /nfs/dbraw/zinc/84/42/00/1441844200.db2.gz LBUIYWWTSREYHU-ZDUSSCGKSA-N 0 1 388.397 3.361 20 0 GGADMN Fc1ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000822778631 1441844203 /nfs/dbraw/zinc/84/42/03/1441844203.db2.gz LBUIYWWTSREYHU-ZDUSSCGKSA-N 0 1 388.397 3.361 20 0 GGADMN COc1ccc(NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)[nH+]c1 ZINC000821835564 1441863678 /nfs/dbraw/zinc/86/36/78/1441863678.db2.gz MRHPINOOXHFZHM-UHFFFAOYSA-N 0 1 388.431 3.461 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000826263418 1441868018 /nfs/dbraw/zinc/86/80/18/1441868018.db2.gz AKSVMBHXSRVRDH-HOTGVXAUSA-N 0 1 378.480 3.285 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488652 1441879317 /nfs/dbraw/zinc/87/93/17/1441879317.db2.gz RDSRICAQWRZGJY-OXJNMPFZSA-N 0 1 391.475 3.383 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488652 1441879319 /nfs/dbraw/zinc/87/93/19/1441879319.db2.gz RDSRICAQWRZGJY-OXJNMPFZSA-N 0 1 391.475 3.383 20 0 GGADMN C[C@H](OC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488652 1441879322 /nfs/dbraw/zinc/87/93/22/1441879322.db2.gz RDSRICAQWRZGJY-OXJNMPFZSA-N 0 1 391.475 3.383 20 0 GGADMN C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824547533 1441895364 /nfs/dbraw/zinc/89/53/64/1441895364.db2.gz PIYXUYCKVSSGPL-JKSUJKDBSA-N 0 1 377.496 3.138 20 0 GGADMN C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607450 1441895430 /nfs/dbraw/zinc/89/54/30/1441895430.db2.gz XWJXRLDESHSLOM-CQSZACIVSA-N 0 1 377.427 3.085 20 0 GGADMN CCC(CC)(C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccccc1 ZINC000820887908 1441895895 /nfs/dbraw/zinc/89/58/95/1441895895.db2.gz XEUJIGMGWRESLL-UHFFFAOYSA-N 0 1 375.480 3.362 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949528 1441897456 /nfs/dbraw/zinc/89/74/56/1441897456.db2.gz YALWXQTVNFXFEE-GXTWGEPZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949528 1441897460 /nfs/dbraw/zinc/89/74/60/1441897460.db2.gz YALWXQTVNFXFEE-GXTWGEPZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000824949528 1441897465 /nfs/dbraw/zinc/89/74/65/1441897465.db2.gz YALWXQTVNFXFEE-GXTWGEPZSA-N 0 1 392.529 3.053 20 0 GGADMN C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357118 1441930013 /nfs/dbraw/zinc/93/00/13/1441930013.db2.gz DWHWVYCIQXJNGM-VNCLNFNDSA-N 0 1 397.527 3.024 20 0 GGADMN CC(C)C[N@@H+](CCc1ccccc1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824255481 1441931685 /nfs/dbraw/zinc/93/16/85/1441931685.db2.gz LDAGSRSPZSGWLV-UHFFFAOYSA-N 0 1 375.480 3.215 20 0 GGADMN CC(C)C[N@H+](CCc1ccccc1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824255481 1441931687 /nfs/dbraw/zinc/93/16/87/1441931687.db2.gz LDAGSRSPZSGWLV-UHFFFAOYSA-N 0 1 375.480 3.215 20 0 GGADMN CC(C)C[N@@H+](CCc1ccccc1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824255481 1441931690 /nfs/dbraw/zinc/93/16/90/1441931690.db2.gz LDAGSRSPZSGWLV-UHFFFAOYSA-N 0 1 375.480 3.215 20 0 GGADMN Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323881 1441933443 /nfs/dbraw/zinc/93/34/43/1441933443.db2.gz VPKSZPAUCJKKJO-BBRMVZONSA-N 0 1 386.525 3.481 20 0 GGADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820727881 1441934768 /nfs/dbraw/zinc/93/47/68/1441934768.db2.gz QFCZKOPDQXUJDU-CQSZACIVSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820759195 1441935010 /nfs/dbraw/zinc/93/50/10/1441935010.db2.gz ITATWCJRZDJWHG-QRWLVFNGSA-N 0 1 397.454 3.237 20 0 GGADMN C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820759195 1441935012 /nfs/dbraw/zinc/93/50/12/1441935012.db2.gz ITATWCJRZDJWHG-QRWLVFNGSA-N 0 1 397.454 3.237 20 0 GGADMN COCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159244 1441941048 /nfs/dbraw/zinc/94/10/48/1441941048.db2.gz YJWPXEZRFZDWBQ-UHFFFAOYSA-N 0 1 397.527 3.084 20 0 GGADMN COCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826159244 1441941049 /nfs/dbraw/zinc/94/10/49/1441941049.db2.gz YJWPXEZRFZDWBQ-UHFFFAOYSA-N 0 1 397.527 3.084 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1-c1nnn[n-]1 ZINC000826194238 1441948446 /nfs/dbraw/zinc/94/84/46/1441948446.db2.gz GGMUOXAGFRLGQA-INIZCTEOSA-N 0 1 395.438 3.109 20 0 GGADMN COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1-c1nn[n-]n1 ZINC000826194238 1441948448 /nfs/dbraw/zinc/94/84/48/1441948448.db2.gz GGMUOXAGFRLGQA-INIZCTEOSA-N 0 1 395.438 3.109 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1-c1nn[n-]n1 ZINC000826194238 1441948449 /nfs/dbraw/zinc/94/84/49/1441948449.db2.gz GGMUOXAGFRLGQA-INIZCTEOSA-N 0 1 395.438 3.109 20 0 GGADMN CCCN(CC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC(C)(C)C ZINC000825313785 1441956017 /nfs/dbraw/zinc/95/60/17/1441956017.db2.gz RBYBEHQBAZLCQB-ZDUSSCGKSA-N 0 1 392.479 3.304 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H](C)C1CCCCC1 ZINC000820413003 1441961228 /nfs/dbraw/zinc/96/12/28/1441961228.db2.gz NXLOVENJVZARPQ-HZPDHXFCSA-N 0 1 383.544 3.425 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736291681 1441974616 /nfs/dbraw/zinc/97/46/16/1441974616.db2.gz XWANGMGGLRSYOT-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736291681 1441974618 /nfs/dbraw/zinc/97/46/18/1441974618.db2.gz XWANGMGGLRSYOT-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736291681 1441974621 /nfs/dbraw/zinc/97/46/21/1441974621.db2.gz XWANGMGGLRSYOT-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822234976 1441975376 /nfs/dbraw/zinc/97/53/76/1441975376.db2.gz NJLRFJMUJVOZAJ-HNNXBMFYSA-N 0 1 389.463 3.288 20 0 GGADMN CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363392 1441977351 /nfs/dbraw/zinc/97/73/51/1441977351.db2.gz ZVXNLNMCZJYUGV-CQSZACIVSA-N 0 1 398.898 3.394 20 0 GGADMN CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363392 1441977354 /nfs/dbraw/zinc/97/73/54/1441977354.db2.gz ZVXNLNMCZJYUGV-CQSZACIVSA-N 0 1 398.898 3.394 20 0 GGADMN CCOc1ccccc1[C@@H](CC)[NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825653648 1441987024 /nfs/dbraw/zinc/98/70/24/1441987024.db2.gz HFILTGWTGNETLX-GOSISDBHSA-N 0 1 394.479 3.335 20 0 GGADMN CC(C)(C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824158381 1441990217 /nfs/dbraw/zinc/99/02/17/1441990217.db2.gz VDCSOOOIHQQWTN-UHFFFAOYSA-N 0 1 390.535 3.399 20 0 GGADMN O=C(CC[N@H+]1CC[C@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822964409 1442002181 /nfs/dbraw/zinc/00/21/81/1442002181.db2.gz IFBAHMYNKZQUHW-KRWDZBQOSA-N 0 1 382.855 3.296 20 0 GGADMN OCCC1CC[NH+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000826508745 1442009616 /nfs/dbraw/zinc/00/96/16/1442009616.db2.gz AMZXJBOXWNBANF-UHFFFAOYSA-N 0 1 393.491 3.040 20 0 GGADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000826215310 1442018855 /nfs/dbraw/zinc/01/88/55/1442018855.db2.gz LOIRDSASVPXPPV-IFXJQAMLSA-N 0 1 379.464 3.467 20 0 GGADMN Cc1c(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822097177 1442029874 /nfs/dbraw/zinc/02/98/74/1442029874.db2.gz VLWQKGSFHAUCDY-OKILXGFUSA-N 0 1 385.516 3.053 20 0 GGADMN Cc1c(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822097177 1442029878 /nfs/dbraw/zinc/02/98/78/1442029878.db2.gz VLWQKGSFHAUCDY-OKILXGFUSA-N 0 1 385.516 3.053 20 0 GGADMN Cc1c(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1-c1nnn[n-]1 ZINC000822097177 1442029883 /nfs/dbraw/zinc/02/98/83/1442029883.db2.gz VLWQKGSFHAUCDY-OKILXGFUSA-N 0 1 385.516 3.053 20 0 GGADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)[NH2+][C@H](C)c1ccccc1 ZINC000820057150 1442033381 /nfs/dbraw/zinc/03/33/81/1442033381.db2.gz XIYPAPOEKBJJOO-GDBMZVCRSA-N 0 1 398.536 3.424 20 0 GGADMN c1cc(-c2nn[n-]n2)oc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000823766873 1442054344 /nfs/dbraw/zinc/05/43/44/1442054344.db2.gz KWRLMMYUPNZPEO-UHFFFAOYSA-N 0 1 381.436 3.180 20 0 GGADMN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825494669 1442062147 /nfs/dbraw/zinc/06/21/47/1442062147.db2.gz ZWACVCJKHNKTAS-APHBMKBZSA-N 0 1 393.438 3.275 20 0 GGADMN Clc1ccccc1[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826353364 1442064544 /nfs/dbraw/zinc/06/45/44/1442064544.db2.gz MKLLNEWYAQWETL-LJQANCHMSA-N 0 1 382.899 3.447 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CC[C@@H](Cc4ccncc4)C3)c2c1 ZINC000826263633 1442076580 /nfs/dbraw/zinc/07/65/80/1442076580.db2.gz KXOKELSFCVTKDP-KRWDZBQOSA-N 0 1 385.475 3.496 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736349553 1442099442 /nfs/dbraw/zinc/09/94/42/1442099442.db2.gz GRRFRYRVNJBSMT-GOSISDBHSA-N 0 1 381.480 3.207 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736349553 1442099443 /nfs/dbraw/zinc/09/94/43/1442099443.db2.gz GRRFRYRVNJBSMT-GOSISDBHSA-N 0 1 381.480 3.207 20 0 GGADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736349553 1442099445 /nfs/dbraw/zinc/09/94/45/1442099445.db2.gz GRRFRYRVNJBSMT-GOSISDBHSA-N 0 1 381.480 3.207 20 0 GGADMN Fc1ccc(CC[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000822767073 1442101008 /nfs/dbraw/zinc/10/10/08/1442101008.db2.gz VQGDLMVPOIVSRN-UHFFFAOYSA-N 0 1 385.418 3.231 20 0 GGADMN C[C@@H]1C[NH+](Cc2ccccc2NCc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000820759976 1442106286 /nfs/dbraw/zinc/10/62/86/1442106286.db2.gz OSYZLRAIDQUEHI-HUUCEWRRSA-N 0 1 396.470 3.227 20 0 GGADMN CC1CC[NH+](C[C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)CC1 ZINC000824957423 1442109369 /nfs/dbraw/zinc/10/93/69/1442109369.db2.gz XPBARHPVVJQXOQ-QGZVFWFLSA-N 0 1 395.555 3.089 20 0 GGADMN Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737391123 1442112253 /nfs/dbraw/zinc/11/22/53/1442112253.db2.gz YNMCJPAOLNDEHB-NQIIRXRSSA-N 0 1 393.491 3.060 20 0 GGADMN c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccc(-c4nnn[n-]4)c2)C3)cc1 ZINC001139852237 1442117491 /nfs/dbraw/zinc/11/74/91/1442117491.db2.gz XVJSKMUYOFQQEG-IRLDBZIGSA-N 0 1 375.476 3.405 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000737032864 1442119504 /nfs/dbraw/zinc/11/95/04/1442119504.db2.gz OUEVNWWLHVENDL-OAHLLOKOSA-N 0 1 379.464 3.480 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824770867 1442135036 /nfs/dbraw/zinc/13/50/36/1442135036.db2.gz NKAGELBWDGXXAD-CMPLNLGQSA-N 0 1 375.889 3.224 20 0 GGADMN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824974536 1442151401 /nfs/dbraw/zinc/15/14/01/1442151401.db2.gz APMBMMZFCLYWSM-VKJFTORMSA-N 0 1 398.536 3.041 20 0 GGADMN Cn1cccc1C[N@@H+](C)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825980873 1442158773 /nfs/dbraw/zinc/15/87/73/1442158773.db2.gz JYWNLINYKIALJT-UHFFFAOYSA-N 0 1 388.475 3.416 20 0 GGADMN CCC[C@@]1(C)CCC[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821026956 1442160115 /nfs/dbraw/zinc/16/01/15/1442160115.db2.gz INAFCCZTJMXNDH-FQEVSTJZSA-N 0 1 380.500 3.293 20 0 GGADMN COc1ccccc1OCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853371 1442169309 /nfs/dbraw/zinc/16/93/09/1442169309.db2.gz OIVFPOZQFQEYON-UHFFFAOYSA-N 0 1 379.464 3.166 20 0 GGADMN Cc1[nH+]ccn1[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000822478871 1442180509 /nfs/dbraw/zinc/18/05/09/1442180509.db2.gz VLRFALGOQYYONC-GFCCVEGCSA-N 0 1 396.405 3.040 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824554064 1442188141 /nfs/dbraw/zinc/18/81/41/1442188141.db2.gz MHAKANKMCQDXIK-GXTWGEPZSA-N 0 1 383.475 3.165 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824568781 1442193548 /nfs/dbraw/zinc/19/35/48/1442193548.db2.gz CPOWDPIBACMGSJ-CQSZACIVSA-N 0 1 379.464 3.266 20 0 GGADMN C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824040229 1442209332 /nfs/dbraw/zinc/20/93/32/1442209332.db2.gz NIWQIGINPDJMEX-INIZCTEOSA-N 0 1 388.475 3.007 20 0 GGADMN C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824040229 1442209336 /nfs/dbraw/zinc/20/93/36/1442209336.db2.gz NIWQIGINPDJMEX-INIZCTEOSA-N 0 1 388.475 3.007 20 0 GGADMN CC[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(F)cc1F ZINC000820926326 1442221017 /nfs/dbraw/zinc/22/10/17/1442221017.db2.gz QWOBQVYRRFUNEC-GOSISDBHSA-N 0 1 399.449 3.250 20 0 GGADMN Cc1c(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cccc1-c1nnn[n-]1 ZINC000822104819 1442225924 /nfs/dbraw/zinc/22/59/24/1442225924.db2.gz QUNUNTRKYGZFQD-UHFFFAOYSA-N 0 1 391.479 3.093 20 0 GGADMN Fc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737661665 1442232763 /nfs/dbraw/zinc/23/27/63/1442232763.db2.gz ZZYZZJXEXIMFNU-UHFFFAOYSA-N 0 1 386.862 3.372 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000824763256 1442246170 /nfs/dbraw/zinc/24/61/70/1442246170.db2.gz MFGKWLVBPQRSEW-GFCCVEGCSA-N 0 1 391.401 3.480 20 0 GGADMN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825014231 1442249815 /nfs/dbraw/zinc/24/98/15/1442249815.db2.gz VDMSBLJZKJTWET-YCRPNKLZSA-N 0 1 379.464 3.103 20 0 GGADMN C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824427392 1442250369 /nfs/dbraw/zinc/25/03/69/1442250369.db2.gz MLNHHDACYCHIFB-AWEZNQCLSA-N 0 1 391.454 3.300 20 0 GGADMN C[C@]1([NH2+]CCC(=O)Nc2sccc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000736222706 1442266874 /nfs/dbraw/zinc/26/68/74/1442266874.db2.gz JMPKAINGWGYKPR-IBGZPJMESA-N 0 1 382.493 3.098 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820570555 1442293731 /nfs/dbraw/zinc/29/37/31/1442293731.db2.gz MDNOSEVNBAPVOK-HNNXBMFYSA-N 0 1 376.464 3.421 20 0 GGADMN C[C@@H](c1ccccc1)[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820570555 1442293736 /nfs/dbraw/zinc/29/37/36/1442293736.db2.gz MDNOSEVNBAPVOK-HNNXBMFYSA-N 0 1 376.464 3.421 20 0 GGADMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820570555 1442293740 /nfs/dbraw/zinc/29/37/40/1442293740.db2.gz MDNOSEVNBAPVOK-HNNXBMFYSA-N 0 1 376.464 3.421 20 0 GGADMN Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826329051 1442295276 /nfs/dbraw/zinc/29/52/76/1442295276.db2.gz OPIKMPCWOGZGJH-KRWDZBQOSA-N 0 1 391.454 3.329 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820703498 1442297225 /nfs/dbraw/zinc/29/72/25/1442297225.db2.gz GHCJTSVOMJFTKY-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820703498 1442297229 /nfs/dbraw/zinc/29/72/29/1442297229.db2.gz GHCJTSVOMJFTKY-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820703498 1442297234 /nfs/dbraw/zinc/29/72/34/1442297234.db2.gz GHCJTSVOMJFTKY-AWEZNQCLSA-N 0 1 396.520 3.233 20 0 GGADMN C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824605506 1442297416 /nfs/dbraw/zinc/29/74/16/1442297416.db2.gz IYUOIXUGCHTCAC-MRVPVSSYSA-N 0 1 385.781 3.123 20 0 GGADMN C[NH+]1CCC([C@@H]2CCN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)C2)CC1 ZINC000826022372 1442301151 /nfs/dbraw/zinc/30/11/51/1442301151.db2.gz LAPKMSNUGTUTOT-CYBMUJFWSA-N 0 1 380.418 3.054 20 0 GGADMN CC(C)[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824199934 1442306181 /nfs/dbraw/zinc/30/61/81/1442306181.db2.gz MKYUMFUPWKJULJ-FQEVSTJZSA-N 0 1 395.463 3.004 20 0 GGADMN O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823698722 1442311056 /nfs/dbraw/zinc/31/10/56/1442311056.db2.gz QTBRPTFIRTWIND-IBGZPJMESA-N 0 1 385.418 3.091 20 0 GGADMN Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000822230491 1442315229 /nfs/dbraw/zinc/31/52/29/1442315229.db2.gz IJZBILBKPCDTDO-INIZCTEOSA-N 0 1 382.493 3.321 20 0 GGADMN CCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825338707 1442316873 /nfs/dbraw/zinc/31/68/73/1442316873.db2.gz FPKHIBOMKNQGQS-OAHLLOKOSA-N 0 1 394.317 3.410 20 0 GGADMN COc1ccc(O[C@@H](C)C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826211336 1442320028 /nfs/dbraw/zinc/32/00/28/1442320028.db2.gz YFPIRCMFAVEQMI-VBKZILBWSA-N 0 1 379.464 3.310 20 0 GGADMN Cc1ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826285194 1442321981 /nfs/dbraw/zinc/32/19/81/1442321981.db2.gz ROOIEKRTFXEEIQ-UHFFFAOYSA-N 0 1 393.495 3.079 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000736819083 1442343909 /nfs/dbraw/zinc/34/39/09/1442343909.db2.gz HPHMKOKDRCMKGO-LJQANCHMSA-N 0 1 395.417 3.100 20 0 GGADMN Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000736819083 1442343917 /nfs/dbraw/zinc/34/39/17/1442343917.db2.gz HPHMKOKDRCMKGO-LJQANCHMSA-N 0 1 395.417 3.100 20 0 GGADMN Cn1c(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nc2c1cccc2F ZINC000826355265 1442346993 /nfs/dbraw/zinc/34/69/93/1442346993.db2.gz QZZULFDEGXMDOF-QGZVFWFLSA-N 0 1 391.454 3.102 20 0 GGADMN C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824579240 1442347603 /nfs/dbraw/zinc/34/76/03/1442347603.db2.gz YRPDUTITNNIOQK-HNNXBMFYSA-N 0 1 381.455 3.405 20 0 GGADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000824992117 1442350395 /nfs/dbraw/zinc/35/03/95/1442350395.db2.gz KAWIMTYEMSJDLG-KGLIPLIRSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000824992117 1442350399 /nfs/dbraw/zinc/35/03/99/1442350399.db2.gz KAWIMTYEMSJDLG-KGLIPLIRSA-N 0 1 383.887 3.014 20 0 GGADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000824992117 1442350402 /nfs/dbraw/zinc/35/04/02/1442350402.db2.gz KAWIMTYEMSJDLG-KGLIPLIRSA-N 0 1 383.887 3.014 20 0 GGADMN O[C@@H](C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1)c1ccco1 ZINC000826502700 1442352274 /nfs/dbraw/zinc/35/22/74/1442352274.db2.gz IZPPFRZFAJQXET-INIZCTEOSA-N 0 1 381.461 3.257 20 0 GGADMN CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821190174 1442356594 /nfs/dbraw/zinc/35/65/94/1442356594.db2.gz ZWGFTNSLNAFGFZ-UHFFFAOYSA-N 0 1 388.413 3.102 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000826502121 1442357660 /nfs/dbraw/zinc/35/76/60/1442357660.db2.gz VCSIQHUOCQGVNQ-RDJZCZTQSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502121 1442357665 /nfs/dbraw/zinc/35/76/65/1442357665.db2.gz VCSIQHUOCQGVNQ-RDJZCZTQSA-N 0 1 384.509 3.192 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000826502121 1442357671 /nfs/dbraw/zinc/35/76/71/1442357671.db2.gz VCSIQHUOCQGVNQ-RDJZCZTQSA-N 0 1 384.509 3.192 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)CCOc1ccccc1F ZINC000737407411 1442357855 /nfs/dbraw/zinc/35/78/55/1442357855.db2.gz AUCPFKDPKCKKPF-UHFFFAOYSA-N 0 1 378.411 3.378 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(-c3nnn[n-]3)ccc1OC)CCC2 ZINC000825749803 1442375287 /nfs/dbraw/zinc/37/52/87/1442375287.db2.gz HZCCEFFHKSKXLQ-OAHLLOKOSA-N 0 1 384.509 3.404 20 0 GGADMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(-c3nnn[n-]3)ccc1OC)CCC2 ZINC000825749803 1442375292 /nfs/dbraw/zinc/37/52/92/1442375292.db2.gz HZCCEFFHKSKXLQ-OAHLLOKOSA-N 0 1 384.509 3.404 20 0 GGADMN CCc1nn(C)c(CC)c1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825754537 1442378210 /nfs/dbraw/zinc/37/82/10/1442378210.db2.gz BNJWEZOEKHKZSL-UHFFFAOYSA-N 0 1 377.496 3.014 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293166 1442390835 /nfs/dbraw/zinc/39/08/35/1442390835.db2.gz NOLHGSSDVPXVLQ-QINHECLXSA-N 0 1 379.464 3.096 20 0 GGADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736293166 1442390839 /nfs/dbraw/zinc/39/08/39/1442390839.db2.gz NOLHGSSDVPXVLQ-QINHECLXSA-N 0 1 379.464 3.096 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)c(-c2nnn[n-]2)c1C ZINC000826341842 1442392493 /nfs/dbraw/zinc/39/24/93/1442392493.db2.gz RJBQCSRVPIIIHL-LJQANCHMSA-N 0 1 394.479 3.270 20 0 GGADMN Cc1oc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(C)C)c(-c2nnn[n-]2)c1C ZINC000826341842 1442392494 /nfs/dbraw/zinc/39/24/94/1442392494.db2.gz RJBQCSRVPIIIHL-LJQANCHMSA-N 0 1 394.479 3.270 20 0 GGADMN C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820570052 1442394383 /nfs/dbraw/zinc/39/43/83/1442394383.db2.gz CIGCZAPIXSHSIW-HNNXBMFYSA-N 0 1 380.471 3.321 20 0 GGADMN Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC000826353720 1442395216 /nfs/dbraw/zinc/39/52/16/1442395216.db2.gz BIHYYIVLLPNNTM-YJBOKZPZSA-N 0 1 395.898 3.161 20 0 GGADMN c1cc(-c2nnn[n-]2)cc(-c2nnc(C[N@H+](CC3CCCCC3)C3CC3)o2)c1 ZINC000823738179 1442406677 /nfs/dbraw/zinc/40/66/77/1442406677.db2.gz PFVLAJRUNPDRCC-UHFFFAOYSA-N 0 1 379.468 3.461 20 0 GGADMN C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820293581 1442428285 /nfs/dbraw/zinc/42/82/85/1442428285.db2.gz NBIJHRRELPYETH-LLVKDONJSA-N 0 1 390.260 3.489 20 0 GGADMN c1cn(Cc2ccccc2)c(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000826521858 1442439676 /nfs/dbraw/zinc/43/96/76/1442439676.db2.gz BJJBIWVLFXCZFK-FQEVSTJZSA-N 0 1 385.475 3.279 20 0 GGADMN COc1cc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2F)ccc1OC(F)F ZINC000826179223 1442448453 /nfs/dbraw/zinc/44/84/53/1442448453.db2.gz FEDICABZCPPXNQ-UHFFFAOYSA-N 0 1 393.369 3.248 20 0 GGADMN COc1cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2F)ccc1OC(F)F ZINC000826179223 1442448456 /nfs/dbraw/zinc/44/84/56/1442448456.db2.gz FEDICABZCPPXNQ-UHFFFAOYSA-N 0 1 393.369 3.248 20 0 GGADMN Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccc(F)cc1 ZINC000822021036 1442451976 /nfs/dbraw/zinc/45/19/76/1442451976.db2.gz SPZAVZWRQRBEMH-STQMWFEESA-N 0 1 392.442 3.307 20 0 GGADMN c1ccc([C@H]2COC3(C2)CC[NH+](Cc2cccc(-c4nn[n-]n4)c2)CC3)cc1 ZINC001139852054 1442453288 /nfs/dbraw/zinc/45/32/88/1442453288.db2.gz QTSMOXGZOZTNAF-HXUWFJFHSA-N 0 1 375.476 3.405 20 0 GGADMN C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139853386 1442456095 /nfs/dbraw/zinc/45/60/95/1442456095.db2.gz BHZWQSMYINIVBL-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@H+](Cc1cccc(F)c1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853386 1442456099 /nfs/dbraw/zinc/45/60/99/1442456099.db2.gz BHZWQSMYINIVBL-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139853386 1442456102 /nfs/dbraw/zinc/45/61/02/1442456102.db2.gz BHZWQSMYINIVBL-UHFFFAOYSA-N 0 1 380.471 3.102 20 0 GGADMN CC(C)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000824297334 1442462668 /nfs/dbraw/zinc/46/26/68/1442462668.db2.gz TWSLIBFXPIYGDY-VQTJNVASSA-N 0 1 398.461 3.459 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OCC(C)C ZINC000826202944 1442465037 /nfs/dbraw/zinc/46/50/37/1442465037.db2.gz TVWCDFKYKFDQCF-UHFFFAOYSA-N 0 1 397.479 3.209 20 0 GGADMN CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)c2C1 ZINC000736480731 1442466525 /nfs/dbraw/zinc/46/65/25/1442466525.db2.gz LTZVPAQFEMPYMD-CQSZACIVSA-N 0 1 391.479 3.031 20 0 GGADMN COc1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826179150 1442467779 /nfs/dbraw/zinc/46/77/79/1442467779.db2.gz BDDLZLWQHPLLCP-AEFFLSMTSA-N 0 1 377.448 3.049 20 0 GGADMN COc1ccc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1-c1nnn[n-]1 ZINC000826202082 1442476343 /nfs/dbraw/zinc/47/63/43/1442476343.db2.gz NQBNGWCHHYJTIW-OAQYLSRUSA-N 0 1 386.459 3.458 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1CCOc1ccccc1-c1nnn[n-]1)c1ccco1 ZINC000823675197 1442476619 /nfs/dbraw/zinc/47/66/19/1442476619.db2.gz VKJGGNUZTVBCNG-WMZOPIPTSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000823675197 1442476623 /nfs/dbraw/zinc/47/66/23/1442476623.db2.gz VKJGGNUZTVBCNG-WMZOPIPTSA-N 0 1 397.479 3.207 20 0 GGADMN O[C@@H](C[C@@H]1CCCCC[N@H+]1CCOc1ccccc1-c1nn[n-]n1)c1ccco1 ZINC000823675197 1442476626 /nfs/dbraw/zinc/47/66/26/1442476626.db2.gz VKJGGNUZTVBCNG-WMZOPIPTSA-N 0 1 397.479 3.207 20 0 GGADMN CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735921058 1442477664 /nfs/dbraw/zinc/47/76/64/1442477664.db2.gz HDPGCNSFTAMVAG-UGSOOPFHSA-N 0 1 396.520 3.244 20 0 GGADMN C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F)N1CCc2ccccc2C1 ZINC000824571398 1442481537 /nfs/dbraw/zinc/48/15/37/1442481537.db2.gz QFZXWMBHJBADRU-HUUCEWRRSA-N 0 1 380.471 3.103 20 0 GGADMN OCC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(Cl)c(Cl)c1 ZINC000826509972 1442488107 /nfs/dbraw/zinc/48/81/07/1442488107.db2.gz SFVKFLYSTDKNFY-UHFFFAOYSA-N 0 1 384.292 3.230 20 0 GGADMN OCC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(Cl)c(Cl)c1 ZINC000826509972 1442488110 /nfs/dbraw/zinc/48/81/10/1442488110.db2.gz SFVKFLYSTDKNFY-UHFFFAOYSA-N 0 1 384.292 3.230 20 0 GGADMN COc1ccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821808086 1443066676 /nfs/dbraw/zinc/06/66/76/1443066676.db2.gz AAAMBEXGCDFHES-OAHLLOKOSA-N 0 1 380.496 3.094 20 0 GGADMN COc1ccc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000821808086 1443066680 /nfs/dbraw/zinc/06/66/80/1443066680.db2.gz AAAMBEXGCDFHES-OAHLLOKOSA-N 0 1 380.496 3.094 20 0 GGADMN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000820421041 1443073121 /nfs/dbraw/zinc/07/31/21/1443073121.db2.gz ZZGOFSGHQRJAFR-MEDUHNTESA-N 0 1 393.369 3.150 20 0 GGADMN C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000736235137 1443076124 /nfs/dbraw/zinc/07/61/24/1443076124.db2.gz MLOIVSJZFUAVHQ-VKJFTORMSA-N 0 1 376.464 3.072 20 0 GGADMN Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000822248330 1443087912 /nfs/dbraw/zinc/08/79/12/1443087912.db2.gz ARTBLUGFZILFHW-MRXNPFEDSA-N 0 1 391.479 3.086 20 0 GGADMN C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577286 1443125743 /nfs/dbraw/zinc/12/57/43/1443125743.db2.gz JGBPOSVJFKABQS-HOTGVXAUSA-N 0 1 382.537 3.491 20 0 GGADMN O[C@H]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000823698364 1443126585 /nfs/dbraw/zinc/12/65/85/1443126585.db2.gz PKEZXKAOXUHOKT-LPHOPBHVSA-N 0 1 393.491 3.086 20 0 GGADMN CSCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826228258 1443132095 /nfs/dbraw/zinc/13/20/95/1443132095.db2.gz JTJQXKAXCFDPCE-UHFFFAOYSA-N 0 1 385.541 3.280 20 0 GGADMN Cc1sc(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1C ZINC000822557954 1443138705 /nfs/dbraw/zinc/13/87/05/1443138705.db2.gz KYXADKAGIDEGJB-IBGZPJMESA-N 0 1 386.525 3.306 20 0 GGADMN C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577139 1443145099 /nfs/dbraw/zinc/14/50/99/1443145099.db2.gz HCBSSACUXGBGRG-HNNXBMFYSA-N 0 1 381.455 3.405 20 0 GGADMN CCc1ccc(N2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)CC2)cc1 ZINC000821486542 1443159833 /nfs/dbraw/zinc/15/98/33/1443159833.db2.gz FXBRFTFKWSTHQR-UHFFFAOYSA-N 0 1 385.475 3.304 20 0 GGADMN Cc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)C2)cc1 ZINC000826285656 1443189033 /nfs/dbraw/zinc/18/90/33/1443189033.db2.gz GBYLJQHSXZTOHG-SFHVURJKSA-N 0 1 387.447 3.215 20 0 GGADMN Cc1cccc(C)c1C[NH2+]C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826296672 1443206579 /nfs/dbraw/zinc/20/65/79/1443206579.db2.gz FMENHCRBYLMIRJ-UHFFFAOYSA-N 0 1 378.480 3.358 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)C1 ZINC000820709512 1443212531 /nfs/dbraw/zinc/21/25/31/1443212531.db2.gz JVVDHRORNDOHJC-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820709512 1443212535 /nfs/dbraw/zinc/21/25/35/1443212535.db2.gz JVVDHRORNDOHJC-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820709512 1443212540 /nfs/dbraw/zinc/21/25/40/1443212540.db2.gz JVVDHRORNDOHJC-AWEZNQCLSA-N 0 1 396.520 3.090 20 0 GGADMN Clc1ccc([C@@H]2CC[N@@H+](Cc3cnc4ccc(-c5nnn[n-]5)cn34)C2)cc1 ZINC000826351305 1443213836 /nfs/dbraw/zinc/21/38/36/1443213836.db2.gz HUTWNRLIXHHWQC-CQSZACIVSA-N 0 1 379.855 3.157 20 0 GGADMN Fc1ccc(CC2CC[NH+](Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826374220 1443217507 /nfs/dbraw/zinc/21/75/07/1443217507.db2.gz QOCRNSDQBGYTLM-UHFFFAOYSA-N 0 1 391.454 3.108 20 0 GGADMN CCC[NH+](CCC)CCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736473830 1443229836 /nfs/dbraw/zinc/22/98/36/1443229836.db2.gz SOVQPYHBPXAYPC-UHFFFAOYSA-N 0 1 395.964 3.319 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000823314189 1443231747 /nfs/dbraw/zinc/23/17/47/1443231747.db2.gz ODNMCYPQCJRPEH-UHFFFAOYSA-N 0 1 389.891 3.002 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822345986 1443234035 /nfs/dbraw/zinc/23/40/35/1443234035.db2.gz YTECWCRAQGQQCO-ZDUSSCGKSA-N 0 1 384.509 3.485 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2C)c(-c2nnn[n-]2)c1C ZINC000822345986 1443234038 /nfs/dbraw/zinc/23/40/38/1443234038.db2.gz YTECWCRAQGQQCO-ZDUSSCGKSA-N 0 1 384.509 3.485 20 0 GGADMN C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820420458 1443235435 /nfs/dbraw/zinc/23/54/35/1443235435.db2.gz RIADZSRQGDTBES-MRXNPFEDSA-N 0 1 386.569 3.269 20 0 GGADMN C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824984334 1443243533 /nfs/dbraw/zinc/24/35/33/1443243533.db2.gz ISBZIPUSBJFPHD-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824984334 1443243536 /nfs/dbraw/zinc/24/35/36/1443243536.db2.gz ISBZIPUSBJFPHD-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736413274 1443244486 /nfs/dbraw/zinc/24/44/86/1443244486.db2.gz XOHBJJHAZMIXOU-MRXNPFEDSA-N 0 1 382.493 3.266 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824546944 1443257519 /nfs/dbraw/zinc/25/75/19/1443257519.db2.gz LWBJTUAOZHDOLW-WMLDXEAASA-N 0 1 386.500 3.307 20 0 GGADMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820642988 1443261829 /nfs/dbraw/zinc/26/18/29/1443261829.db2.gz OHDUODPJKKPUBE-AEFFLSMTSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642988 1443261833 /nfs/dbraw/zinc/26/18/33/1443261833.db2.gz OHDUODPJKKPUBE-AEFFLSMTSA-N 0 1 390.491 3.148 20 0 GGADMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820642988 1443261835 /nfs/dbraw/zinc/26/18/35/1443261835.db2.gz OHDUODPJKKPUBE-AEFFLSMTSA-N 0 1 390.491 3.148 20 0 GGADMN COc1ccccc1[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826218875 1443272651 /nfs/dbraw/zinc/27/26/51/1443272651.db2.gz NDDFKHAOQKCZSS-NSHDSACASA-N 0 1 375.379 3.328 20 0 GGADMN Fc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(-c2nnn[n-]2)c1 ZINC000826374184 1443277333 /nfs/dbraw/zinc/27/73/33/1443277333.db2.gz ORKMVXXYMQQOMN-UHFFFAOYSA-N 0 1 393.422 3.066 20 0 GGADMN COc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826201819 1443277416 /nfs/dbraw/zinc/27/74/16/1443277416.db2.gz FKBRMERAKCSHCJ-VQIMIIECSA-N 0 1 379.464 3.133 20 0 GGADMN O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823379767 1443284633 /nfs/dbraw/zinc/28/46/33/1443284633.db2.gz HPNWELPSLGRISS-UHFFFAOYSA-N 0 1 389.510 3.013 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000826248027 1443292698 /nfs/dbraw/zinc/29/26/98/1443292698.db2.gz UCJGDEZRZCZMKY-ZWKOTPCHSA-N 0 1 396.882 3.004 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000826248027 1443292705 /nfs/dbraw/zinc/29/27/05/1443292705.db2.gz UCJGDEZRZCZMKY-ZWKOTPCHSA-N 0 1 396.882 3.004 20 0 GGADMN CC[NH+](CC)CCCC1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000825412061 1443293279 /nfs/dbraw/zinc/29/32/79/1443293279.db2.gz IYOFBIWLBFNYIS-VAWYXSNFSA-N 0 1 396.539 3.241 20 0 GGADMN COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821868336 1443301242 /nfs/dbraw/zinc/30/12/42/1443301242.db2.gz PEQAHOANHDVXKC-HXUWFJFHSA-N 0 1 381.480 3.067 20 0 GGADMN COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868336 1443301245 /nfs/dbraw/zinc/30/12/45/1443301245.db2.gz PEQAHOANHDVXKC-HXUWFJFHSA-N 0 1 381.480 3.067 20 0 GGADMN COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821868336 1443301249 /nfs/dbraw/zinc/30/12/49/1443301249.db2.gz PEQAHOANHDVXKC-HXUWFJFHSA-N 0 1 381.480 3.067 20 0 GGADMN COc1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1-c1nnn[n-]1 ZINC000821804938 1443318379 /nfs/dbraw/zinc/31/83/79/1443318379.db2.gz RDMWYCWGMKIOII-UHFFFAOYSA-N 0 1 384.528 3.010 20 0 GGADMN COc1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1-c1nn[n-]n1 ZINC000821804938 1443318391 /nfs/dbraw/zinc/31/83/91/1443318391.db2.gz RDMWYCWGMKIOII-UHFFFAOYSA-N 0 1 384.528 3.010 20 0 GGADMN Cc1cccc([C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nnn[n-]3)C2)c1 ZINC000826297944 1443328875 /nfs/dbraw/zinc/32/88/75/1443328875.db2.gz XRNCUPXHGTZCBD-OAHLLOKOSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1cccc([C@@H]2CC[N@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)c1 ZINC000826297944 1443328879 /nfs/dbraw/zinc/32/88/79/1443328879.db2.gz XRNCUPXHGTZCBD-OAHLLOKOSA-N 0 1 382.493 3.055 20 0 GGADMN Cc1cccc([C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3-c3nn[n-]n3)C2)c1 ZINC000826297944 1443328883 /nfs/dbraw/zinc/32/88/83/1443328883.db2.gz XRNCUPXHGTZCBD-OAHLLOKOSA-N 0 1 382.493 3.055 20 0 GGADMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824235334 1443337876 /nfs/dbraw/zinc/33/78/76/1443337876.db2.gz FQZDRKJCAFFUPV-WMLDXEAASA-N 0 1 388.516 3.457 20 0 GGADMN CC(C)[N@H+](Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H](C)O ZINC000824705791 1443346386 /nfs/dbraw/zinc/34/63/86/1443346386.db2.gz FAVSHMRAEXKUTR-INIZCTEOSA-N 0 1 381.480 3.037 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H](C)O ZINC000824705791 1443346390 /nfs/dbraw/zinc/34/63/90/1443346390.db2.gz FAVSHMRAEXKUTR-INIZCTEOSA-N 0 1 381.480 3.037 20 0 GGADMN CC(C)[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H](C)O ZINC000824705791 1443346395 /nfs/dbraw/zinc/34/63/95/1443346395.db2.gz FAVSHMRAEXKUTR-INIZCTEOSA-N 0 1 381.480 3.037 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547679 1443352970 /nfs/dbraw/zinc/35/29/70/1443352970.db2.gz RNYSQXWLSHTQJJ-TZMCWYRMSA-N 0 1 390.463 3.056 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000736901361 1443355661 /nfs/dbraw/zinc/35/56/61/1443355661.db2.gz JZBZNPTZOMWYRR-PXNSSMCTSA-N 0 1 391.475 3.036 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000736901361 1443355669 /nfs/dbraw/zinc/35/56/69/1443355669.db2.gz JZBZNPTZOMWYRR-PXNSSMCTSA-N 0 1 391.475 3.036 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(NCc3ccn(-c4ccccc4)n3)c2c1 ZINC000822196466 1443356306 /nfs/dbraw/zinc/35/63/06/1443356306.db2.gz KRSLYANKBGZYTJ-UHFFFAOYSA-N 0 1 396.458 3.251 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826188494 1443370197 /nfs/dbraw/zinc/37/01/97/1443370197.db2.gz YPASWDRWTMJWRH-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CC[C@@H](CNc2ccccn2)C1 ZINC000822332334 1443381248 /nfs/dbraw/zinc/38/12/48/1443381248.db2.gz OOVRZRZJGWURSQ-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736569324 1443388198 /nfs/dbraw/zinc/38/81/98/1443388198.db2.gz FXGDQYUBEYDDKE-LJQANCHMSA-N 0 1 392.507 3.020 20 0 GGADMN CC[N@@H+](CCNCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000736536245 1443398233 /nfs/dbraw/zinc/39/82/33/1443398233.db2.gz GHEPXQJYGOIWFU-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC[N@H+](CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000736536245 1443398236 /nfs/dbraw/zinc/39/82/36/1443398236.db2.gz GHEPXQJYGOIWFU-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CC[N@@H+](CCNCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000736536245 1443398239 /nfs/dbraw/zinc/39/82/39/1443398239.db2.gz GHEPXQJYGOIWFU-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(C)C ZINC000736536245 1443398242 /nfs/dbraw/zinc/39/82/42/1443398242.db2.gz GHEPXQJYGOIWFU-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN CCN(CC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000736536245 1443398246 /nfs/dbraw/zinc/39/82/46/1443398246.db2.gz GHEPXQJYGOIWFU-UHFFFAOYSA-N 0 1 394.523 3.266 20 0 GGADMN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820650573 1443411194 /nfs/dbraw/zinc/41/11/94/1443411194.db2.gz VWORVWLSZCVOKP-JHJVBQTASA-N 0 1 391.907 3.008 20 0 GGADMN CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428425 1443419696 /nfs/dbraw/zinc/41/96/96/1443419696.db2.gz MNJUMCYVWLHFFT-CYBMUJFWSA-N 0 1 381.436 3.187 20 0 GGADMN Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826290498 1443425590 /nfs/dbraw/zinc/42/55/90/1443425590.db2.gz ONHXSQQTJXKFPO-AUUYWEPGSA-N 0 1 394.454 3.160 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826332489 1443433533 /nfs/dbraw/zinc/43/35/33/1443433533.db2.gz VYEJWWUDFXUQJU-UHFFFAOYSA-N 0 1 391.454 3.174 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826332489 1443433535 /nfs/dbraw/zinc/43/35/35/1443433535.db2.gz VYEJWWUDFXUQJU-UHFFFAOYSA-N 0 1 391.454 3.174 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826332489 1443433536 /nfs/dbraw/zinc/43/35/36/1443433536.db2.gz VYEJWWUDFXUQJU-UHFFFAOYSA-N 0 1 391.454 3.174 20 0 GGADMN c1ccc(SCC[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000738432946 1443440972 /nfs/dbraw/zinc/44/09/72/1443440972.db2.gz KTJQTIRZHYKQEA-UHFFFAOYSA-N 0 1 380.521 3.171 20 0 GGADMN c1ccc(SCC[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000738432946 1443440975 /nfs/dbraw/zinc/44/09/75/1443440975.db2.gz KTJQTIRZHYKQEA-UHFFFAOYSA-N 0 1 380.521 3.171 20 0 GGADMN c1ccc(SCC[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000738432946 1443440977 /nfs/dbraw/zinc/44/09/77/1443440977.db2.gz KTJQTIRZHYKQEA-UHFFFAOYSA-N 0 1 380.521 3.171 20 0 GGADMN CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC000824109447 1443448651 /nfs/dbraw/zinc/44/86/51/1443448651.db2.gz QUKWNXBHWKOGPD-ZWKOTPCHSA-N 0 1 398.511 3.137 20 0 GGADMN CC(C)(C)c1ncc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000824141882 1443455507 /nfs/dbraw/zinc/45/55/07/1443455507.db2.gz NLVXFBDNCOXJSN-UHFFFAOYSA-N 0 1 397.552 3.333 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824762334 1443460615 /nfs/dbraw/zinc/46/06/15/1443460615.db2.gz GBLAYDITNLNVQQ-ZDUSSCGKSA-N 0 1 388.928 3.460 20 0 GGADMN COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cc1-c1nnn[n-]1 ZINC000826194067 1443460785 /nfs/dbraw/zinc/46/07/85/1443460785.db2.gz ZLNGEBMTLHCUFB-IBGZPJMESA-N 0 1 379.464 3.227 20 0 GGADMN COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OCC2(C)C)cc1-c1nnn[n-]1 ZINC000826194067 1443460786 /nfs/dbraw/zinc/46/07/86/1443460786.db2.gz ZLNGEBMTLHCUFB-IBGZPJMESA-N 0 1 379.464 3.227 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000819876654 1443461255 /nfs/dbraw/zinc/46/12/55/1443461255.db2.gz IEUJFUBNJZIEJC-QMTMVMCOSA-N 0 1 376.464 3.072 20 0 GGADMN Fc1ccc([C@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)cc1 ZINC000826373805 1443474170 /nfs/dbraw/zinc/47/41/70/1443474170.db2.gz AKIAAGWBQLTFTD-HNNXBMFYSA-N 0 1 391.454 3.423 20 0 GGADMN Fc1ccc([C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826373805 1443474173 /nfs/dbraw/zinc/47/41/73/1443474173.db2.gz AKIAAGWBQLTFTD-HNNXBMFYSA-N 0 1 391.454 3.423 20 0 GGADMN Fc1ccc([C@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cc1 ZINC000826373805 1443474175 /nfs/dbraw/zinc/47/41/75/1443474175.db2.gz AKIAAGWBQLTFTD-HNNXBMFYSA-N 0 1 391.454 3.423 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(Br)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824296916 1443474710 /nfs/dbraw/zinc/47/47/10/1443474710.db2.gz LXODANRLMFSVGY-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN CC(C)[N@H+](Cc1cccc(Br)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824296916 1443474712 /nfs/dbraw/zinc/47/47/12/1443474712.db2.gz LXODANRLMFSVGY-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN CC(C)[N@@H+](Cc1cccc(Br)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824296916 1443474715 /nfs/dbraw/zinc/47/47/15/1443474715.db2.gz LXODANRLMFSVGY-UHFFFAOYSA-N 0 1 387.285 3.435 20 0 GGADMN CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820050606 1443479509 /nfs/dbraw/zinc/47/95/09/1443479509.db2.gz DJQKANZAFMENEC-QGZVFWFLSA-N 0 1 382.493 3.122 20 0 GGADMN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820050606 1443479511 /nfs/dbraw/zinc/47/95/11/1443479511.db2.gz DJQKANZAFMENEC-QGZVFWFLSA-N 0 1 382.493 3.122 20 0 GGADMN C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1ccccc1Cl ZINC000820420550 1443480117 /nfs/dbraw/zinc/48/01/17/1443480117.db2.gz SRZRVLBQIALKQI-IINYFYTJSA-N 0 1 388.884 3.038 20 0 GGADMN C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736000802 1443487496 /nfs/dbraw/zinc/48/74/96/1443487496.db2.gz LWIITUUFJRVNIE-CYBMUJFWSA-N 0 1 384.871 3.194 20 0 GGADMN c1ccc2c(c1)nc(NCc1ccc(N3CCCCC3)[nH+]c1)cc2-c1nnn[n-]1 ZINC000738433358 1443489276 /nfs/dbraw/zinc/48/92/76/1443489276.db2.gz QQTBVQILXKAUHX-UHFFFAOYSA-N 0 1 386.463 3.412 20 0 GGADMN CC(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000735928638 1443489825 /nfs/dbraw/zinc/48/98/25/1443489825.db2.gz NNHVKLYNTZATMR-UHFFFAOYSA-N 0 1 377.496 3.144 20 0 GGADMN C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820722663 1443504576 /nfs/dbraw/zinc/50/45/76/1443504576.db2.gz LFFCXGQAZOSKOE-YJYMSZOUSA-N 0 1 380.427 3.027 20 0 GGADMN C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1cccc(F)c1 ZINC000820722663 1443504579 /nfs/dbraw/zinc/50/45/79/1443504579.db2.gz LFFCXGQAZOSKOE-YJYMSZOUSA-N 0 1 380.427 3.027 20 0 GGADMN Cc1sc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1C ZINC000737564635 1443505056 /nfs/dbraw/zinc/50/50/56/1443505056.db2.gz WMDZOJDMBGOBTO-INIZCTEOSA-N 0 1 396.520 3.396 20 0 GGADMN Cc1sc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737564635 1443505059 /nfs/dbraw/zinc/50/50/59/1443505059.db2.gz WMDZOJDMBGOBTO-INIZCTEOSA-N 0 1 396.520 3.396 20 0 GGADMN Cc1sc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737564635 1443505061 /nfs/dbraw/zinc/50/50/61/1443505061.db2.gz WMDZOJDMBGOBTO-INIZCTEOSA-N 0 1 396.520 3.396 20 0 GGADMN Cn1cc(C[NH+]2CCC3(CCCC3)CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360468 1443510119 /nfs/dbraw/zinc/51/01/19/1443510119.db2.gz LLDFCSZLKKFERZ-UHFFFAOYSA-N 0 1 377.496 3.423 20 0 GGADMN CC(=O)c1ccc(-c2nnn[n-]2)c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000824014064 1443523867 /nfs/dbraw/zinc/52/38/67/1443523867.db2.gz CPICBPGAOQIZJS-UHFFFAOYSA-N 0 1 396.882 3.045 20 0 GGADMN COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1-c1nn[n-]n1 ZINC000821804046 1443535408 /nfs/dbraw/zinc/53/54/08/1443535408.db2.gz IZTQUUSNGIPKME-FQEVSTJZSA-N 0 1 395.463 3.133 20 0 GGADMN Cc1csc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000737455549 1443536111 /nfs/dbraw/zinc/53/61/11/1443536111.db2.gz SGNIOECECLVILZ-INIZCTEOSA-N 0 1 397.508 3.187 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000820411787 1443551383 /nfs/dbraw/zinc/55/13/83/1443551383.db2.gz JMMLVICOUGDDMI-LSDHHAIUSA-N 0 1 376.464 3.405 20 0 GGADMN CC[NH+](CC)[C@H]1CCN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000821181065 1443553468 /nfs/dbraw/zinc/55/34/68/1443553468.db2.gz JIUATGRYVYCJFX-IBGZPJMESA-N 0 1 376.508 3.450 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCC[C@]4(CCCOC4)C3)c2c1 ZINC000822195402 1443565912 /nfs/dbraw/zinc/56/59/12/1443565912.db2.gz QRJUSIBOGAACLD-NRFANRHFSA-N 0 1 378.480 3.429 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000824938198 1443570143 /nfs/dbraw/zinc/57/01/43/1443570143.db2.gz UQJLMVJULPRHSW-NWDGAFQWSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938198 1443570144 /nfs/dbraw/zinc/57/01/44/1443570144.db2.gz UQJLMVJULPRHSW-NWDGAFQWSA-N 0 1 381.937 3.067 20 0 GGADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000824938198 1443570147 /nfs/dbraw/zinc/57/01/47/1443570147.db2.gz UQJLMVJULPRHSW-NWDGAFQWSA-N 0 1 381.937 3.067 20 0 GGADMN Cc1ccc([C@@H]2CSCC[N@H+]2CCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737334176 1443578081 /nfs/dbraw/zinc/57/80/81/1443578081.db2.gz YIBDQRFCMKQYJN-IBGZPJMESA-N 0 1 381.505 3.344 20 0 GGADMN Cc1cc[nH+]c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826310324 1443595532 /nfs/dbraw/zinc/59/55/32/1443595532.db2.gz SBSKXNSCVHAJBN-UHFFFAOYSA-N 0 1 382.855 3.323 20 0 GGADMN COc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000821818666 1443606590 /nfs/dbraw/zinc/60/65/90/1443606590.db2.gz XCVKXIPTUBIVEX-UHFFFAOYSA-N 0 1 393.369 3.106 20 0 GGADMN CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736401229 1443607167 /nfs/dbraw/zinc/60/71/67/1443607167.db2.gz HAQDELVMHGWSFH-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736401229 1443607170 /nfs/dbraw/zinc/60/71/70/1443607170.db2.gz HAQDELVMHGWSFH-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736401229 1443607171 /nfs/dbraw/zinc/60/71/71/1443607171.db2.gz HAQDELVMHGWSFH-CYBMUJFWSA-N 0 1 388.541 3.400 20 0 GGADMN C[NH+](C)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821581934 1443611494 /nfs/dbraw/zinc/61/14/94/1443611494.db2.gz YIGBBQGWIDZBPJ-MRXNPFEDSA-N 0 1 394.870 3.178 20 0 GGADMN C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000826028986 1443624492 /nfs/dbraw/zinc/62/44/92/1443624492.db2.gz LSHUSYAQFIELRI-IAGOWNOFSA-N 0 1 397.870 3.087 20 0 GGADMN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000826028986 1443624494 /nfs/dbraw/zinc/62/44/94/1443624494.db2.gz LSHUSYAQFIELRI-IAGOWNOFSA-N 0 1 397.870 3.087 20 0 GGADMN CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824334530 1443628232 /nfs/dbraw/zinc/62/82/32/1443628232.db2.gz XCYJZTFEVNZHTI-OAHLLOKOSA-N 0 1 394.479 3.333 20 0 GGADMN CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821160252 1443634170 /nfs/dbraw/zinc/63/41/70/1443634170.db2.gz IBZVZVNQBMJAFQ-LJQANCHMSA-N 0 1 394.479 3.285 20 0 GGADMN CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821160252 1443634174 /nfs/dbraw/zinc/63/41/74/1443634174.db2.gz IBZVZVNQBMJAFQ-LJQANCHMSA-N 0 1 394.479 3.285 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821596597 1443639112 /nfs/dbraw/zinc/63/91/12/1443639112.db2.gz PIFREQBCONLUHD-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821596597 1443639114 /nfs/dbraw/zinc/63/91/14/1443639114.db2.gz PIFREQBCONLUHD-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821596597 1443639118 /nfs/dbraw/zinc/63/91/18/1443639118.db2.gz PIFREQBCONLUHD-MRXNPFEDSA-N 0 1 382.899 3.478 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000821702533 1443640066 /nfs/dbraw/zinc/64/00/66/1443640066.db2.gz WOQDHTWHJYXREP-UHFFFAOYSA-N 0 1 389.525 3.006 20 0 GGADMN c1ccc([C@H]2C[C@@H]2C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826520792 1443643882 /nfs/dbraw/zinc/64/38/82/1443643882.db2.gz REMHSVZCOFIBLE-FGZHOGPDSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@H]2C[C@@H]2C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520792 1443643886 /nfs/dbraw/zinc/64/38/86/1443643886.db2.gz REMHSVZCOFIBLE-FGZHOGPDSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@H]2C[C@@H]2C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520792 1443643890 /nfs/dbraw/zinc/64/38/90/1443643890.db2.gz REMHSVZCOFIBLE-FGZHOGPDSA-N 0 1 388.519 3.178 20 0 GGADMN C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824538728 1443645990 /nfs/dbraw/zinc/64/59/90/1443645990.db2.gz KGRRZFGLNNBLMZ-KHDYIWLOSA-N 0 1 396.882 3.143 20 0 GGADMN Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000822736482 1443659917 /nfs/dbraw/zinc/65/99/17/1443659917.db2.gz FMQSCCYYXOKFHU-AWEZNQCLSA-N 0 1 376.455 3.237 20 0 GGADMN CC(C)(C)c1csc(CCNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)n1 ZINC000819965283 1443679946 /nfs/dbraw/zinc/67/99/46/1443679946.db2.gz AAIOPGJRTMTDMG-UHFFFAOYSA-N 0 1 379.493 3.245 20 0 GGADMN CCS[C@@H]1CCCC[N@@H+](Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000821454967 1443686276 /nfs/dbraw/zinc/68/62/76/1443686276.db2.gz IAVRVLXMFNEWNU-OAHLLOKOSA-N 0 1 385.497 3.024 20 0 GGADMN O=C(CC[N@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964122 1443689257 /nfs/dbraw/zinc/68/92/57/1443689257.db2.gz DJEOCRJGZHNUDZ-HXUWFJFHSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964122 1443689260 /nfs/dbraw/zinc/68/92/60/1443689260.db2.gz DJEOCRJGZHNUDZ-HXUWFJFHSA-N 0 1 390.491 3.293 20 0 GGADMN O=C(CC[N@H+]1CCCC[C@@H]1Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964122 1443689262 /nfs/dbraw/zinc/68/92/62/1443689262.db2.gz DJEOCRJGZHNUDZ-HXUWFJFHSA-N 0 1 390.491 3.293 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000826168077 1443693675 /nfs/dbraw/zinc/69/36/75/1443693675.db2.gz BDXXQSSKPLPSEG-UHFFFAOYSA-N 0 1 393.491 3.304 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000826168077 1443693680 /nfs/dbraw/zinc/69/36/80/1443693680.db2.gz BDXXQSSKPLPSEG-UHFFFAOYSA-N 0 1 393.491 3.304 20 0 GGADMN COc1cc(-c2nn[n-]n2)ccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000826168077 1443693684 /nfs/dbraw/zinc/69/36/84/1443693684.db2.gz BDXXQSSKPLPSEG-UHFFFAOYSA-N 0 1 393.491 3.304 20 0 GGADMN O=C(CC[N@H+](Cc1ccccc1F)C1CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737837373 1443699750 /nfs/dbraw/zinc/69/97/50/1443699750.db2.gz FZELXXADROBRAY-UHFFFAOYSA-N 0 1 386.456 3.061 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1nc(N)c2ccccc2n1 ZINC000824262049 1443705591 /nfs/dbraw/zinc/70/55/91/1443705591.db2.gz VCKAJTDOMOGEQY-UHFFFAOYSA-N 0 1 388.479 3.050 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1nc(N)c2ccccc2n1 ZINC000824262049 1443705594 /nfs/dbraw/zinc/70/55/94/1443705594.db2.gz VCKAJTDOMOGEQY-UHFFFAOYSA-N 0 1 388.479 3.050 20 0 GGADMN COc1cccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[n-]n4)c(F)c3)C2)c1 ZINC000826216838 1443710181 /nfs/dbraw/zinc/71/01/81/1443710181.db2.gz PPZGYXUYSTUAFW-ZBFHGGJFSA-N 0 1 396.470 3.334 20 0 GGADMN Cc1cc(C)c2[nH+]cc(-c3nnn[n-]3)c(N3CCCC4(CCOCC4)C3)c2c1 ZINC000822195043 1443720878 /nfs/dbraw/zinc/72/08/78/1443720878.db2.gz FGLJCGWPQMJDIX-UHFFFAOYSA-N 0 1 378.480 3.429 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000736901002 1443725680 /nfs/dbraw/zinc/72/56/80/1443725680.db2.gz HHKWRBYVXOUSEH-FXAWDEMLSA-N 0 1 391.475 3.351 20 0 GGADMN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000736901002 1443725683 /nfs/dbraw/zinc/72/56/83/1443725683.db2.gz HHKWRBYVXOUSEH-FXAWDEMLSA-N 0 1 391.475 3.351 20 0 GGADMN CC(C)C1CCC([NH+]2CCN(CCOc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000820038769 1443727519 /nfs/dbraw/zinc/72/75/19/1443727519.db2.gz ROEVVJNZPQSNCO-UHFFFAOYSA-N 0 1 398.555 3.078 20 0 GGADMN C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820563669 1443727577 /nfs/dbraw/zinc/72/75/77/1443727577.db2.gz SSTADTRHEFKAMQ-OAHLLOKOSA-N 0 1 382.899 3.399 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000821702110 1443734046 /nfs/dbraw/zinc/73/40/46/1443734046.db2.gz HWHFXKICSCEEPW-MRXNPFEDSA-N 0 1 385.855 3.355 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000821702110 1443734047 /nfs/dbraw/zinc/73/40/47/1443734047.db2.gz HWHFXKICSCEEPW-MRXNPFEDSA-N 0 1 385.855 3.355 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]2CCCO2)cc1 ZINC000822235980 1443736277 /nfs/dbraw/zinc/73/62/77/1443736277.db2.gz FGUMHKDXEILQMN-OAQYLSRUSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1ccc(CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]2CCCO2)cc1 ZINC000822235980 1443736278 /nfs/dbraw/zinc/73/62/78/1443736278.db2.gz FGUMHKDXEILQMN-OAQYLSRUSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1ccc(CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]2CCCO2)cc1 ZINC000822235980 1443736280 /nfs/dbraw/zinc/73/62/80/1443736280.db2.gz FGUMHKDXEILQMN-OAQYLSRUSA-N 0 1 377.492 3.399 20 0 GGADMN Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1CC[NH+](C)CC1 ZINC000822211680 1443738561 /nfs/dbraw/zinc/73/85/61/1443738561.db2.gz KUCPUBBUWUBMJA-UHFFFAOYSA-N 0 1 392.463 3.248 20 0 GGADMN Cc1ccnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312624 1443747109 /nfs/dbraw/zinc/74/71/09/1443747109.db2.gz KFJLDUWEHFPIAC-HOCLYGCPSA-N 0 1 387.850 3.220 20 0 GGADMN Cc1ccnc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826312624 1443747110 /nfs/dbraw/zinc/74/71/10/1443747110.db2.gz KFJLDUWEHFPIAC-HOCLYGCPSA-N 0 1 387.850 3.220 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826191541 1443749384 /nfs/dbraw/zinc/74/93/84/1443749384.db2.gz JEBWEBPLTKWXFX-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826191541 1443749387 /nfs/dbraw/zinc/74/93/87/1443749387.db2.gz JEBWEBPLTKWXFX-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826191541 1443749391 /nfs/dbraw/zinc/74/93/91/1443749391.db2.gz JEBWEBPLTKWXFX-HNNXBMFYSA-N 0 1 381.480 3.195 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCC(C2CCOCC2)CC1 ZINC000826304625 1443752012 /nfs/dbraw/zinc/75/20/12/1443752012.db2.gz SDHFEXHMGQZSQU-UHFFFAOYSA-N 0 1 378.480 3.366 20 0 GGADMN CCOc1cc(F)ccc1NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825616019 1443754456 /nfs/dbraw/zinc/75/44/56/1443754456.db2.gz TWNXTKAVWMHQJL-UHFFFAOYSA-N 0 1 396.470 3.481 20 0 GGADMN O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823700004 1443761677 /nfs/dbraw/zinc/76/16/77/1443761677.db2.gz YWOOMMILJJWCMI-RTWAWAEBSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823700004 1443761680 /nfs/dbraw/zinc/76/16/80/1443761680.db2.gz YWOOMMILJJWCMI-RTWAWAEBSA-N 0 1 393.491 3.224 20 0 GGADMN O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823700004 1443761682 /nfs/dbraw/zinc/76/16/82/1443761682.db2.gz YWOOMMILJJWCMI-RTWAWAEBSA-N 0 1 393.491 3.224 20 0 GGADMN CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2C1 ZINC000736479733 1443768684 /nfs/dbraw/zinc/76/86/84/1443768684.db2.gz GAXPEWIYXFFJLA-CQSZACIVSA-N 0 1 391.479 3.031 20 0 GGADMN OC1CC[NH+](Cc2ccc(CNc3ccc(Cl)cc3-c3nnn[n-]3)cc2)CC1 ZINC000738388556 1443774667 /nfs/dbraw/zinc/77/46/67/1443774667.db2.gz GNDGUJOXOPNGLR-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1cccc(F)c1 ZINC000736321650 1443777246 /nfs/dbraw/zinc/77/72/46/1443777246.db2.gz FNDHWENTRRGQND-LBPRGKRZSA-N 0 1 399.474 3.082 20 0 GGADMN C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC000824426732 1443778045 /nfs/dbraw/zinc/77/80/45/1443778045.db2.gz HBHIQUOYKMPCFK-ZIAGYGMSSA-N 0 1 375.436 3.371 20 0 GGADMN O[C@@H](C[NH2+]CCCc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823683306 1443785270 /nfs/dbraw/zinc/78/52/70/1443785270.db2.gz ZNUOTEFRLRBMKM-KRWDZBQOSA-N 0 1 391.397 3.141 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736055778 1443802861 /nfs/dbraw/zinc/80/28/61/1443802861.db2.gz IZCRATYBQYLFFB-CQSZACIVSA-N 0 1 398.898 3.412 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736055778 1443802865 /nfs/dbraw/zinc/80/28/65/1443802865.db2.gz IZCRATYBQYLFFB-CQSZACIVSA-N 0 1 398.898 3.412 20 0 GGADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736055778 1443802867 /nfs/dbraw/zinc/80/28/67/1443802867.db2.gz IZCRATYBQYLFFB-CQSZACIVSA-N 0 1 398.898 3.412 20 0 GGADMN CC(C)(C)[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000735617829 1443803458 /nfs/dbraw/zinc/80/34/58/1443803458.db2.gz BANSNBAQAQICSJ-UHFFFAOYSA-N 0 1 387.438 3.368 20 0 GGADMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139855036 1443812437 /nfs/dbraw/zinc/81/24/37/1443812437.db2.gz RLQXOTUAYXANBO-SZMVWBNQSA-N 0 1 383.496 3.342 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000820704239 1443828217 /nfs/dbraw/zinc/82/82/17/1443828217.db2.gz MZBWRMWOHRDBDF-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000820704239 1443828222 /nfs/dbraw/zinc/82/82/22/1443828222.db2.gz MZBWRMWOHRDBDF-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000820704239 1443828225 /nfs/dbraw/zinc/82/82/25/1443828225.db2.gz MZBWRMWOHRDBDF-AWEZNQCLSA-N 0 1 388.541 3.045 20 0 GGADMN CC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1c(C)noc1C ZINC000825144389 1443830019 /nfs/dbraw/zinc/83/00/19/1443830019.db2.gz ZTJNWSLTMBHCKM-LJQANCHMSA-N 0 1 395.511 3.177 20 0 GGADMN Fc1cccc(C[N@H+](Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H]2CCCO2)c1 ZINC000737661793 1443831855 /nfs/dbraw/zinc/83/18/55/1443831855.db2.gz QBZJPDASVURFBG-GOSISDBHSA-N 0 1 385.418 3.326 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826521670 1443835126 /nfs/dbraw/zinc/83/51/26/1443835126.db2.gz VEYVXMKLZXVTSS-OAQYLSRUSA-N 0 1 394.548 3.416 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826521670 1443835128 /nfs/dbraw/zinc/83/51/28/1443835128.db2.gz VEYVXMKLZXVTSS-OAQYLSRUSA-N 0 1 394.548 3.416 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826521670 1443835131 /nfs/dbraw/zinc/83/51/31/1443835131.db2.gz VEYVXMKLZXVTSS-OAQYLSRUSA-N 0 1 394.548 3.416 20 0 GGADMN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000826274021 1443839894 /nfs/dbraw/zinc/83/98/94/1443839894.db2.gz DLOQIYCXKVAMQL-QFIPXVFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000826274021 1443839898 /nfs/dbraw/zinc/83/98/98/1443839898.db2.gz DLOQIYCXKVAMQL-QFIPXVFZSA-N 0 1 389.507 3.063 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000826274021 1443839901 /nfs/dbraw/zinc/83/99/01/1443839901.db2.gz DLOQIYCXKVAMQL-QFIPXVFZSA-N 0 1 389.507 3.063 20 0 GGADMN CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736390188 1443843414 /nfs/dbraw/zinc/84/34/14/1443843414.db2.gz HPUBECOZDCZVDY-HXUWFJFHSA-N 0 1 398.461 3.414 20 0 GGADMN C[NH+](C)CCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000736759432 1443844566 /nfs/dbraw/zinc/84/45/66/1443844566.db2.gz RAQBTBZRMZXNKZ-UHFFFAOYSA-N 0 1 380.452 3.329 20 0 GGADMN CN1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826021703 1443850298 /nfs/dbraw/zinc/85/02/98/1443850298.db2.gz DMADQMSWOJTJOS-SJKOYZFVSA-N 0 1 390.850 3.035 20 0 GGADMN Cc1cccc2c(NC3CCN(c4ccccc4)CC3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822334815 1443851093 /nfs/dbraw/zinc/85/10/93/1443851093.db2.gz HOGWHUWEEAHDMJ-UHFFFAOYSA-N 0 1 385.475 3.226 20 0 GGADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000824505322 1443858426 /nfs/dbraw/zinc/85/84/26/1443858426.db2.gz BLGKWAXXXWKDQL-STQMWFEESA-N 0 1 392.529 3.053 20 0 GGADMN FC(F)Oc1ccc2[nH+]cc(-c3nnn[n-]3)c(N[C@H]3CCC(F)(F)C3)c2c1 ZINC000822737071 1443862672 /nfs/dbraw/zinc/86/26/72/1443862672.db2.gz PEKWJWZWXRUQCU-QMMMGPOBSA-N 0 1 382.321 3.038 20 0 GGADMN Cc1cccc(CC[C@H](C)[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000822299881 1443869845 /nfs/dbraw/zinc/86/98/45/1443869845.db2.gz YDPDYXFYEYKCCX-KRWDZBQOSA-N 0 1 391.523 3.150 20 0 GGADMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000820021152 1443884906 /nfs/dbraw/zinc/88/49/06/1443884906.db2.gz PVHJDOQAERIABS-KRWDZBQOSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@H](CC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820021152 1443884907 /nfs/dbraw/zinc/88/49/07/1443884907.db2.gz PVHJDOQAERIABS-KRWDZBQOSA-N 0 1 388.516 3.238 20 0 GGADMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820021152 1443884908 /nfs/dbraw/zinc/88/49/08/1443884908.db2.gz PVHJDOQAERIABS-KRWDZBQOSA-N 0 1 388.516 3.238 20 0 GGADMN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000736195992 1443887104 /nfs/dbraw/zinc/88/71/04/1443887104.db2.gz ILSPSPYOJWYYPV-YJBOKZPZSA-N 0 1 392.511 3.125 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000736195992 1443887105 /nfs/dbraw/zinc/88/71/05/1443887105.db2.gz ILSPSPYOJWYYPV-YJBOKZPZSA-N 0 1 392.511 3.125 20 0 GGADMN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000736195992 1443887106 /nfs/dbraw/zinc/88/71/06/1443887106.db2.gz ILSPSPYOJWYYPV-YJBOKZPZSA-N 0 1 392.511 3.125 20 0 GGADMN COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000821708768 1443888348 /nfs/dbraw/zinc/88/83/48/1443888348.db2.gz ZEBTYOKQMBSCRL-STQMWFEESA-N 0 1 383.452 3.304 20 0 GGADMN Cc1c(Cl)cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1-c1nnn[n-]1 ZINC000826240386 1443892988 /nfs/dbraw/zinc/89/29/88/1443892988.db2.gz QAJQLDDUKVSHSK-UHFFFAOYSA-N 0 1 384.875 3.221 20 0 GGADMN C[C@@H]([NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000824528513 1443897327 /nfs/dbraw/zinc/89/73/27/1443897327.db2.gz ATLNTECQLLMNQA-RKDXNWHRSA-N 0 1 379.287 3.498 20 0 GGADMN C[C@@H]([NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824547882 1443918203 /nfs/dbraw/zinc/91/82/03/1443918203.db2.gz UASXLFVQPSCERQ-PBHICJAKSA-N 0 1 386.500 3.307 20 0 GGADMN Fc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(-c2nn[n-]n2)c1 ZINC000737650691 1443926025 /nfs/dbraw/zinc/92/60/25/1443926025.db2.gz QZNCMAGFIMQBTO-UHFFFAOYSA-N 0 1 377.427 3.262 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825914512 1443926972 /nfs/dbraw/zinc/92/69/72/1443926972.db2.gz IFADMLWKVRZRBW-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825914512 1443926976 /nfs/dbraw/zinc/92/69/76/1443926976.db2.gz IFADMLWKVRZRBW-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825914512 1443926978 /nfs/dbraw/zinc/92/69/78/1443926978.db2.gz IFADMLWKVRZRBW-SFHVURJKSA-N 0 1 399.502 3.373 20 0 GGADMN c1coc([C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)N2CCCC2)c1 ZINC000826526330 1443941872 /nfs/dbraw/zinc/94/18/72/1443941872.db2.gz UNOUBFOMHCMTON-RTBURBONSA-N 0 1 378.480 3.264 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821002393 1443942930 /nfs/dbraw/zinc/94/29/30/1443942930.db2.gz WOZJIOQUCKIXCV-SFHVURJKSA-N 0 1 387.447 3.426 20 0 GGADMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821002393 1443942931 /nfs/dbraw/zinc/94/29/31/1443942931.db2.gz WOZJIOQUCKIXCV-SFHVURJKSA-N 0 1 387.447 3.426 20 0 GGADMN O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000823314116 1443947473 /nfs/dbraw/zinc/94/74/73/1443947473.db2.gz MEMADPKISGRMPH-AWEZNQCLSA-N 0 1 389.891 3.002 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)c(-c2nn[n-]n2)c1 ZINC000826518929 1443948777 /nfs/dbraw/zinc/94/87/77/1443948777.db2.gz CYBLGMJNBRKCFD-MOPGFXCFSA-N 0 1 375.476 3.392 20 0 GGADMN c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000826518929 1443948780 /nfs/dbraw/zinc/94/87/80/1443948780.db2.gz CYBLGMJNBRKCFD-MOPGFXCFSA-N 0 1 375.476 3.392 20 0 GGADMN c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)c(-c2nnn[n-]2)c1 ZINC000826518929 1443948781 /nfs/dbraw/zinc/94/87/81/1443948781.db2.gz CYBLGMJNBRKCFD-MOPGFXCFSA-N 0 1 375.476 3.392 20 0 GGADMN Cc1noc(C2CCN(c3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc43)CC2)n1 ZINC000826263584 1443953802 /nfs/dbraw/zinc/95/38/02/1443953802.db2.gz ILDHTWRCDLJPFX-UHFFFAOYSA-N 0 1 390.451 3.107 20 0 GGADMN CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCC2)C1 ZINC000820949868 1443960488 /nfs/dbraw/zinc/96/04/88/1443960488.db2.gz GVTBUJZDJPJGPK-NRFANRHFSA-N 0 1 399.543 3.461 20 0 GGADMN COc1cccc([C@H](CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)[NH+](C)C)c1 ZINC000826214496 1443967500 /nfs/dbraw/zinc/96/75/00/1443967500.db2.gz NLTWOFAENPVOHK-IBGZPJMESA-N 0 1 389.463 3.138 20 0 GGADMN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824598094 1443969762 /nfs/dbraw/zinc/96/97/62/1443969762.db2.gz BMOMYSCHOYAZCH-OAHLLOKOSA-N 0 1 399.520 3.008 20 0 GGADMN O=C(CN(Cc1ccoc1)C1CCCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737865325 1443972483 /nfs/dbraw/zinc/97/24/83/1443972483.db2.gz QXKRMNOMZJFPJG-UHFFFAOYSA-N 0 1 386.481 3.295 20 0 GGADMN O=C(C[N@H+](Cc1ccoc1)C1CCCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737865325 1443972488 /nfs/dbraw/zinc/97/24/88/1443972488.db2.gz QXKRMNOMZJFPJG-UHFFFAOYSA-N 0 1 386.481 3.295 20 0 GGADMN O=C(C[N@@H+](Cc1ccoc1)C1CCCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737865325 1443972491 /nfs/dbraw/zinc/97/24/91/1443972491.db2.gz QXKRMNOMZJFPJG-UHFFFAOYSA-N 0 1 386.481 3.295 20 0 GGADMN CCO[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC000821367665 1443973158 /nfs/dbraw/zinc/97/31/58/1443973158.db2.gz LUTZWVGURNTSMD-FQEVSTJZSA-N 0 1 393.491 3.447 20 0 GGADMN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824539811 1443978875 /nfs/dbraw/zinc/97/88/75/1443978875.db2.gz PPPQWKFHECEALF-DXJOGWAWSA-N 0 1 398.511 3.448 20 0 GGADMN CCc1nnc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(-c2nnn[n-]2)c1CC ZINC000821528723 1443987890 /nfs/dbraw/zinc/98/78/90/1443987890.db2.gz QPMUYQFWHIPQLC-GOEBONIOSA-N 0 1 392.511 3.029 20 0 GGADMN CCc1nnc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821528723 1443987894 /nfs/dbraw/zinc/98/78/94/1443987894.db2.gz QPMUYQFWHIPQLC-GOEBONIOSA-N 0 1 392.511 3.029 20 0 GGADMN CCc1nnc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(-c2nn[n-]n2)c1CC ZINC000821528723 1443987899 /nfs/dbraw/zinc/98/78/99/1443987899.db2.gz QPMUYQFWHIPQLC-GOEBONIOSA-N 0 1 392.511 3.029 20 0 GGADMN Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2cc[nH+]c(N(C)C)c2)n1 ZINC000826262830 1443990462 /nfs/dbraw/zinc/99/04/62/1443990462.db2.gz ZQDWJJZFZFLSEN-UHFFFAOYSA-N 0 1 395.414 3.342 20 0 GGADMN CC[NH+](CC)C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825411640 1443990513 /nfs/dbraw/zinc/99/05/13/1443990513.db2.gz AERDUCMFINURJF-HNNXBMFYSA-N 0 1 394.479 3.119 20 0 GGADMN CN(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1 ZINC000825848292 1443991212 /nfs/dbraw/zinc/99/12/12/1443991212.db2.gz BTIBEHUHKJYXMU-UXHICEINSA-N 0 1 380.471 3.276 20 0 GGADMN COc1ccc([C@H](C)[N@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821778074 1443991643 /nfs/dbraw/zinc/99/16/43/1443991643.db2.gz SWTVHHLRTCRPMR-ZDUSSCGKSA-N 0 1 391.435 3.118 20 0 GGADMN COc1ccc([C@H](C)[N@@H+](C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821778074 1443991645 /nfs/dbraw/zinc/99/16/45/1443991645.db2.gz SWTVHHLRTCRPMR-ZDUSSCGKSA-N 0 1 391.435 3.118 20 0 GGADMN CCN(C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1)CC(F)(F)F ZINC000821198376 1443995488 /nfs/dbraw/zinc/99/54/88/1443995488.db2.gz SQLUFMYIFLVGGW-KBPBESRZSA-N 0 1 382.434 3.134 20 0 GGADMN CCN(C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1)CC(F)(F)F ZINC000821198376 1443995490 /nfs/dbraw/zinc/99/54/90/1443995490.db2.gz SQLUFMYIFLVGGW-KBPBESRZSA-N 0 1 382.434 3.134 20 0 GGADMN CCN(C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1)CC(F)(F)F ZINC000821198376 1443995492 /nfs/dbraw/zinc/99/54/92/1443995492.db2.gz SQLUFMYIFLVGGW-KBPBESRZSA-N 0 1 382.434 3.134 20 0 GGADMN C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820563667 1444008828 /nfs/dbraw/zinc/00/88/28/1444008828.db2.gz SSTADTRHEFKAMQ-HNNXBMFYSA-N 0 1 382.899 3.399 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000826169225 1444018166 /nfs/dbraw/zinc/01/81/66/1444018166.db2.gz LRJOWOMJZCYKSJ-GOSISDBHSA-N 0 1 395.438 3.252 20 0 GGADMN CC(C)(C)C[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819908105 1444018743 /nfs/dbraw/zinc/01/87/43/1444018743.db2.gz WHVQIHCYYSCQKE-SFHVURJKSA-N 0 1 395.507 3.332 20 0 GGADMN C[C@H]1COCCC[N@H+]1Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825006298 1446083752 /nfs/dbraw/zinc/08/37/52/1446083752.db2.gz ILQBSLHIPQVVMF-INIZCTEOSA-N 0 1 379.464 3.057 20 0 GGADMN CCn1nc(C)c([C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1C ZINC000821566426 1446084302 /nfs/dbraw/zinc/08/43/02/1446084302.db2.gz CUCIVYDPRVRFBJ-CYBMUJFWSA-N 0 1 385.541 3.284 20 0 GGADMN OC1CC[NH+](Cc2ccccc2CNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000823706378 1446096998 /nfs/dbraw/zinc/09/69/98/1446096998.db2.gz MAEDWRSSBRQGEL-UHFFFAOYSA-N 0 1 398.898 3.089 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)cn1 ZINC000819946767 1446099378 /nfs/dbraw/zinc/09/93/78/1446099378.db2.gz PTOAUFOCGMNEFJ-UHFFFAOYSA-N 0 1 399.430 3.038 20 0 GGADMN Cc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737393356 1446101618 /nfs/dbraw/zinc/10/16/18/1446101618.db2.gz IELGNBYXEHFMIQ-UHFFFAOYSA-N 0 1 396.520 3.186 20 0 GGADMN Cc1cccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737393356 1446101619 /nfs/dbraw/zinc/10/16/19/1446101619.db2.gz IELGNBYXEHFMIQ-UHFFFAOYSA-N 0 1 396.520 3.186 20 0 GGADMN Cc1cccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737393356 1446101621 /nfs/dbraw/zinc/10/16/21/1446101621.db2.gz IELGNBYXEHFMIQ-UHFFFAOYSA-N 0 1 396.520 3.186 20 0 GGADMN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820882687 1446101934 /nfs/dbraw/zinc/10/19/34/1446101934.db2.gz XLVNKUBMHBREQB-UZLBHIALSA-N 0 1 395.507 3.332 20 0 GGADMN FC(F)(F)c1cc(NCC[N@H+]2CCc3sccc3C2)ccc1-c1nnn[n-]1 ZINC000737634150 1446113387 /nfs/dbraw/zinc/11/33/87/1446113387.db2.gz YPYFZJXCOBSPJQ-UHFFFAOYSA-N 0 1 394.426 3.417 20 0 GGADMN C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000736125276 1446122941 /nfs/dbraw/zinc/12/29/41/1446122941.db2.gz JFMICMKATJWRQQ-FZKQIMNGSA-N 0 1 378.480 3.041 20 0 GGADMN O[C@H](C[NH+]1CCC(CCc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823675106 1446137600 /nfs/dbraw/zinc/13/76/00/1446137600.db2.gz USAODDZZNMJILZ-OAQYLSRUSA-N 0 1 377.492 3.245 20 0 GGADMN COc1cccc(OCC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001139094695 1446138991 /nfs/dbraw/zinc/13/89/91/1446138991.db2.gz GGHLHDJEFMOMQS-UHFFFAOYSA-N 0 1 379.464 3.166 20 0 GGADMN C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)Cc1cccs1 ZINC000824426322 1446144421 /nfs/dbraw/zinc/14/44/21/1446144421.db2.gz DEBIPKAYQRZMPH-INIZCTEOSA-N 0 1 396.564 3.361 20 0 GGADMN COc1ccc(CN(C)c2c(-c3nnn[n-]3)c[nH+]c3c(C)cccc32)cc1OC ZINC000737090225 1446148293 /nfs/dbraw/zinc/14/82/93/1446148293.db2.gz DKHCXUBXFMZFFQ-UHFFFAOYSA-N 0 1 390.447 3.377 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)Cc1ccc(C)cc1 ZINC000736469269 1446154178 /nfs/dbraw/zinc/15/41/78/1446154178.db2.gz CIODRTLNOZMLKT-UHFFFAOYSA-N 0 1 378.480 3.416 20 0 GGADMN CCC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000736469269 1446154182 /nfs/dbraw/zinc/15/41/82/1446154182.db2.gz CIODRTLNOZMLKT-UHFFFAOYSA-N 0 1 378.480 3.416 20 0 GGADMN CCC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)Cc1ccc(C)cc1 ZINC000736469269 1446154184 /nfs/dbraw/zinc/15/41/84/1446154184.db2.gz CIODRTLNOZMLKT-UHFFFAOYSA-N 0 1 378.480 3.416 20 0 GGADMN COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826190069 1446157930 /nfs/dbraw/zinc/15/79/30/1446157930.db2.gz OVRRYQQGRAJFAH-CHWSQXEVSA-N 0 1 398.467 3.071 20 0 GGADMN Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[NH+](CCC(C)(C)C)CC1 ZINC000822335416 1446161869 /nfs/dbraw/zinc/16/18/69/1446161869.db2.gz LFSXAJSIEMFZCI-UHFFFAOYSA-N 0 1 379.512 3.282 20 0 GGADMN C[N@@H+](Cc1csc(Br)c1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736831763 1446170070 /nfs/dbraw/zinc/17/00/70/1446170070.db2.gz ULCNQJGNLNYIPG-UHFFFAOYSA-N 0 1 382.262 3.462 20 0 GGADMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(N2CCOCC2)c1 ZINC000826288432 1446187659 /nfs/dbraw/zinc/18/76/59/1446187659.db2.gz GTTCEVHNKDXCCQ-HNNXBMFYSA-N 0 1 396.470 3.002 20 0 GGADMN COc1ccc(C[N@@H+](Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](CO)C(C)C)cc1 ZINC000826193911 1446190791 /nfs/dbraw/zinc/19/07/91/1446190791.db2.gz UNJTZPYWIOHKRG-HXUWFJFHSA-N 0 1 399.470 3.034 20 0 GGADMN C[N@H+](Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H]1CCCCO1 ZINC000825980508 1446201209 /nfs/dbraw/zinc/20/12/09/1446201209.db2.gz BWBPGPOOROVQEP-HXUWFJFHSA-N 0 1 393.491 3.447 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736290216 1446212479 /nfs/dbraw/zinc/21/24/79/1446212479.db2.gz QFNYPRZLPXJQQC-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736290216 1446212483 /nfs/dbraw/zinc/21/24/83/1446212483.db2.gz QFNYPRZLPXJQQC-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736290216 1446212488 /nfs/dbraw/zinc/21/24/88/1446212488.db2.gz QFNYPRZLPXJQQC-INIZCTEOSA-N 0 1 380.471 3.102 20 0 GGADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC000819932979 1446213501 /nfs/dbraw/zinc/21/35/01/1446213501.db2.gz AAADQHZXOZOSFM-ALOPSCKCSA-N 0 1 398.511 3.277 20 0 GGADMN Fc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1-c1nn[n-]n1 ZINC000822772370 1446214232 /nfs/dbraw/zinc/21/42/32/1446214232.db2.gz WGRPIQHWQZUNCY-UHFFFAOYSA-N 0 1 387.846 3.455 20 0 GGADMN CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000824333881 1446221785 /nfs/dbraw/zinc/22/17/85/1446221785.db2.gz PASACMPKFKHPEF-LEWJYISDSA-N 0 1 393.491 3.355 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000737033122 1446223487 /nfs/dbraw/zinc/22/34/87/1446223487.db2.gz SISZPBYTXUXYRQ-QGZVFWFLSA-N 0 1 397.504 3.044 20 0 GGADMN COc1ccc(OCC[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826211540 1446230594 /nfs/dbraw/zinc/23/05/94/1446230594.db2.gz IZXSWIKPBLEEIW-UHFFFAOYSA-N 0 1 377.448 3.043 20 0 GGADMN COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826220461 1446233197 /nfs/dbraw/zinc/23/31/97/1446233197.db2.gz ONBAHQYLMPLYOX-UONOGXRCSA-N 0 1 385.443 3.380 20 0 GGADMN CCOc1ccc(C(C)=O)cc1C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825631912 1446234627 /nfs/dbraw/zinc/23/46/27/1446234627.db2.gz IQDLEYUXOFKXHB-UHFFFAOYSA-N 0 1 377.448 3.247 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736400959 1446236594 /nfs/dbraw/zinc/23/65/94/1446236594.db2.gz TYTVDVQARLVLTG-IBGZPJMESA-N 0 1 399.543 3.051 20 0 GGADMN CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736400959 1446236597 /nfs/dbraw/zinc/23/65/97/1446236597.db2.gz TYTVDVQARLVLTG-IBGZPJMESA-N 0 1 399.543 3.051 20 0 GGADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736400959 1446236601 /nfs/dbraw/zinc/23/66/01/1446236601.db2.gz TYTVDVQARLVLTG-IBGZPJMESA-N 0 1 399.543 3.051 20 0 GGADMN c1ccc([C@H]2CN(c3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CCS2)cc1 ZINC000826521096 1446248786 /nfs/dbraw/zinc/24/87/86/1446248786.db2.gz ZPJIHRNYOFRFLI-GOSISDBHSA-N 0 1 378.505 3.435 20 0 GGADMN Cc1cccc([C@@H](CNc2ccc(Cl)cc2-c2nnn[n-]2)[NH+]2CCOCC2)c1 ZINC000737387961 1446251168 /nfs/dbraw/zinc/25/11/68/1446251168.db2.gz IWWBISIBHXGFRJ-LJQANCHMSA-N 0 1 398.898 3.314 20 0 GGADMN CN(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Cc1ccccc1 ZINC000825851641 1446254991 /nfs/dbraw/zinc/25/49/91/1446254991.db2.gz WWHVCVSMJHWKMD-TZIWHRDSSA-N 0 1 376.508 3.007 20 0 GGADMN C[N@@H+](CCOc1ccccc1Br)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825946101 1446259005 /nfs/dbraw/zinc/25/90/05/1446259005.db2.gz IQFSQVFRDUAIDO-UHFFFAOYSA-N 0 1 388.269 3.140 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736804590 1446261364 /nfs/dbraw/zinc/26/13/64/1446261364.db2.gz RIBWOCZEPIOOMQ-UHFFFAOYSA-N 0 1 390.260 3.443 20 0 GGADMN C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736804590 1446261368 /nfs/dbraw/zinc/26/13/68/1446261368.db2.gz RIBWOCZEPIOOMQ-UHFFFAOYSA-N 0 1 390.260 3.443 20 0 GGADMN C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736804590 1446261371 /nfs/dbraw/zinc/26/13/71/1446261371.db2.gz RIBWOCZEPIOOMQ-UHFFFAOYSA-N 0 1 390.260 3.443 20 0 GGADMN C1=CC[C@]2(CC1)CCC[N@H+](Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)C2 ZINC000819718807 1446266416 /nfs/dbraw/zinc/26/64/16/1446266416.db2.gz QYKPFYPVNHBETA-FQEVSTJZSA-N 0 1 377.452 3.239 20 0 GGADMN C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736024875 1446273427 /nfs/dbraw/zinc/27/34/27/1446273427.db2.gz AULMTHBHONUSFI-HNNXBMFYSA-N 0 1 397.914 3.143 20 0 GGADMN COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)cc1-c1nn[n-]n1 ZINC000821803084 1446278275 /nfs/dbraw/zinc/27/82/75/1446278275.db2.gz BGSHZGCDRGAVJN-QGZVFWFLSA-N 0 1 396.470 3.081 20 0 GGADMN CCCCN(C(=O)c1sccc1-c1nnn[n-]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736451877 1446292067 /nfs/dbraw/zinc/29/20/67/1446292067.db2.gz QQFPTVNHUKVKSN-UHFFFAOYSA-N 0 1 390.557 3.480 20 0 GGADMN Cc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)N2CCCC2)cc1 ZINC000822230857 1446310645 /nfs/dbraw/zinc/31/06/45/1446310645.db2.gz SDRNWGBKVHOGFI-FQEVSTJZSA-N 0 1 380.471 3.241 20 0 GGADMN Cc1ccc([C@H](CNCc2ccc(-c3nnn[n-]3)cc2F)[NH+]2CCCC2)cc1 ZINC000822230857 1446310647 /nfs/dbraw/zinc/31/06/47/1446310647.db2.gz SDRNWGBKVHOGFI-FQEVSTJZSA-N 0 1 380.471 3.241 20 0 GGADMN C[NH+](C)CC1CCN(c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000821583512 1446327065 /nfs/dbraw/zinc/32/70/65/1446327065.db2.gz YCVAGWFJMFFYCS-UHFFFAOYSA-N 0 1 391.523 3.257 20 0 GGADMN Cc1ccccc1CN1CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826307346 1446343389 /nfs/dbraw/zinc/34/33/89/1446343389.db2.gz DSFCXYAHNYPEGO-QGZVFWFLSA-N 0 1 376.508 3.490 20 0 GGADMN CCC[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000825252215 1446367069 /nfs/dbraw/zinc/36/70/69/1446367069.db2.gz HJRODYAEFPFKJK-INIZCTEOSA-N 0 1 396.520 3.055 20 0 GGADMN CCC[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000825252215 1446367075 /nfs/dbraw/zinc/36/70/75/1446367075.db2.gz HJRODYAEFPFKJK-INIZCTEOSA-N 0 1 396.520 3.055 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000737030895 1446387525 /nfs/dbraw/zinc/38/75/25/1446387525.db2.gz BJUCIYCULANRGQ-GOSISDBHSA-N 0 1 379.464 3.400 20 0 GGADMN CC[N@H+](Cc1cc(C(=O)OC)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429174 1446388404 /nfs/dbraw/zinc/38/84/04/1446388404.db2.gz XWSZGVFPFIFSED-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@@H+](Cc1cc(C(=O)OC)ccc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429174 1446388407 /nfs/dbraw/zinc/38/84/07/1446388407.db2.gz XWSZGVFPFIFSED-CYBMUJFWSA-N 0 1 383.427 3.376 20 0 GGADMN COCC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)c(Cl)c1 ZINC000826159064 1446388483 /nfs/dbraw/zinc/38/84/83/1446388483.db2.gz OWRURHPMMWXNKQ-UHFFFAOYSA-N 0 1 375.835 3.308 20 0 GGADMN c1ccc([C@H]2C[N@@H+](CCCOc3ccc(-c4nn[n-]n4)cc3)CCS2)cc1 ZINC000738428977 1446393270 /nfs/dbraw/zinc/39/32/70/1446393270.db2.gz QTCQLJZGUJZTNH-LJQANCHMSA-N 0 1 381.505 3.426 20 0 GGADMN COc1ccc(OC)c([C@@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000821841308 1446398562 /nfs/dbraw/zinc/39/85/62/1446398562.db2.gz HCIWYAYMLAESCY-CQSZACIVSA-N 0 1 399.520 3.468 20 0 GGADMN C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824590255 1446401268 /nfs/dbraw/zinc/40/12/68/1446401268.db2.gz ASUJQQHAZFWAGG-ZDUSSCGKSA-N 0 1 393.426 3.339 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000821650182 1446404414 /nfs/dbraw/zinc/40/44/14/1446404414.db2.gz LYDKXSWTASGRJL-IBGZPJMESA-N 0 1 393.491 3.299 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000821650182 1446404416 /nfs/dbraw/zinc/40/44/16/1446404416.db2.gz LYDKXSWTASGRJL-IBGZPJMESA-N 0 1 393.491 3.299 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000821650182 1446404417 /nfs/dbraw/zinc/40/44/17/1446404417.db2.gz LYDKXSWTASGRJL-IBGZPJMESA-N 0 1 393.491 3.299 20 0 GGADMN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824545320 1446409969 /nfs/dbraw/zinc/40/99/69/1446409969.db2.gz BWHMNGIXAQVLSY-RHSMWYFYSA-N 0 1 386.500 3.307 20 0 GGADMN C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000824585021 1446417089 /nfs/dbraw/zinc/41/70/89/1446417089.db2.gz LUKZQDMMXCIZEK-VIFPVBQESA-N 0 1 394.863 3.400 20 0 GGADMN C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824617870 1446447400 /nfs/dbraw/zinc/44/74/00/1446447400.db2.gz KKPCPZUVWVXBDG-HNNXBMFYSA-N 0 1 380.471 3.452 20 0 GGADMN O[C@H](C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823673762 1446456109 /nfs/dbraw/zinc/45/61/09/1446456109.db2.gz NPEAFCDJDWWRNT-NHCUHLMSSA-N 0 1 375.476 3.442 20 0 GGADMN O[C@H](C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673762 1446456110 /nfs/dbraw/zinc/45/61/10/1446456110.db2.gz NPEAFCDJDWWRNT-NHCUHLMSSA-N 0 1 375.476 3.442 20 0 GGADMN O[C@H](C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673762 1446456112 /nfs/dbraw/zinc/45/61/12/1446456112.db2.gz NPEAFCDJDWWRNT-NHCUHLMSSA-N 0 1 375.476 3.442 20 0 GGADMN c1cc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515741 1446484546 /nfs/dbraw/zinc/48/45/46/1446484546.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515741 1446484550 /nfs/dbraw/zinc/48/45/50/1446484550.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515741 1446484551 /nfs/dbraw/zinc/48/45/51/1446484551.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515741 1446484554 /nfs/dbraw/zinc/48/45/54/1446484554.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)sc1-c1nn[n-]n1 ZINC000826515741 1446484555 /nfs/dbraw/zinc/48/45/55/1446484555.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515741 1446484559 /nfs/dbraw/zinc/48/45/59/1446484559.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN c1cc(-c2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)sc1-c1nnn[n-]1 ZINC000826515741 1446484561 /nfs/dbraw/zinc/48/45/61/1446484561.db2.gz JHXJFGGOUIVSHT-DLBZAZTESA-N 0 1 380.521 3.312 20 0 GGADMN Fc1ccc([C@@H]([NH2+]CCOc2ccc(-c3nnn[n-]3)cc2)c2ccccn2)cc1 ZINC000826373320 1446484770 /nfs/dbraw/zinc/48/47/70/1446484770.db2.gz HZGPJRVUQKCWTG-HXUWFJFHSA-N 0 1 390.422 3.159 20 0 GGADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000738438370 1446492478 /nfs/dbraw/zinc/49/24/78/1446492478.db2.gz ZIESVUNIXZJPDA-UHFFFAOYSA-N 0 1 386.463 3.192 20 0 GGADMN CC(C)(C)C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000735593315 1446498665 /nfs/dbraw/zinc/49/86/65/1446498665.db2.gz INSGDOKWUYWARJ-GUYCJALGSA-N 0 1 398.490 3.011 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736402589 1446501886 /nfs/dbraw/zinc/50/18/86/1446501886.db2.gz OLYOVWGCOFPZMU-ZDUSSCGKSA-N 0 1 389.479 3.028 20 0 GGADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736402589 1446501890 /nfs/dbraw/zinc/50/18/90/1446501890.db2.gz OLYOVWGCOFPZMU-ZDUSSCGKSA-N 0 1 389.479 3.028 20 0 GGADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736402589 1446501895 /nfs/dbraw/zinc/50/18/95/1446501895.db2.gz OLYOVWGCOFPZMU-ZDUSSCGKSA-N 0 1 389.479 3.028 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000736198263 1446505273 /nfs/dbraw/zinc/50/52/73/1446505273.db2.gz RTQFNMFLSBRLGL-QGZVFWFLSA-N 0 1 399.502 3.294 20 0 GGADMN c1cc(-c2nn[n-]n2)sc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826521669 1446512040 /nfs/dbraw/zinc/51/20/40/1446512040.db2.gz VEYVXMKLZXVTSS-NRFANRHFSA-N 0 1 394.548 3.416 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826521669 1446512045 /nfs/dbraw/zinc/51/20/45/1446512045.db2.gz VEYVXMKLZXVTSS-NRFANRHFSA-N 0 1 394.548 3.416 20 0 GGADMN c1cc(-c2nnn[n-]2)sc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826521669 1446512049 /nfs/dbraw/zinc/51/20/49/1446512049.db2.gz VEYVXMKLZXVTSS-NRFANRHFSA-N 0 1 394.548 3.416 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826332424 1446515921 /nfs/dbraw/zinc/51/59/21/1446515921.db2.gz UBHAWVBCSKXOPX-GOSISDBHSA-N 0 1 385.475 3.350 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826332424 1446515924 /nfs/dbraw/zinc/51/59/24/1446515924.db2.gz UBHAWVBCSKXOPX-GOSISDBHSA-N 0 1 385.475 3.350 20 0 GGADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826332424 1446515928 /nfs/dbraw/zinc/51/59/28/1446515928.db2.gz UBHAWVBCSKXOPX-GOSISDBHSA-N 0 1 385.475 3.350 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820093253 1446535619 /nfs/dbraw/zinc/53/56/19/1446535619.db2.gz UADKSKXIOUZOAT-CYBMUJFWSA-N 0 1 391.907 3.010 20 0 GGADMN CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820093253 1446535622 /nfs/dbraw/zinc/53/56/22/1446535622.db2.gz UADKSKXIOUZOAT-CYBMUJFWSA-N 0 1 391.907 3.010 20 0 GGADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820093253 1446535625 /nfs/dbraw/zinc/53/56/25/1446535625.db2.gz UADKSKXIOUZOAT-CYBMUJFWSA-N 0 1 391.907 3.010 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139094943 1446539703 /nfs/dbraw/zinc/53/97/03/1446539703.db2.gz MDUWDRAAQCLYAU-FQEVSTJZSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139094943 1446539705 /nfs/dbraw/zinc/53/97/05/1446539705.db2.gz MDUWDRAAQCLYAU-FQEVSTJZSA-N 0 1 386.500 3.088 20 0 GGADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001139094943 1446539709 /nfs/dbraw/zinc/53/97/09/1446539709.db2.gz MDUWDRAAQCLYAU-FQEVSTJZSA-N 0 1 386.500 3.088 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820643801 1446542146 /nfs/dbraw/zinc/54/21/46/1446542146.db2.gz ZKVHRUWWVRYQTG-GOEBONIOSA-N 0 1 396.520 3.210 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820643801 1446542149 /nfs/dbraw/zinc/54/21/49/1446542149.db2.gz ZKVHRUWWVRYQTG-GOEBONIOSA-N 0 1 396.520 3.210 20 0 GGADMN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820643801 1446542151 /nfs/dbraw/zinc/54/21/51/1446542151.db2.gz ZKVHRUWWVRYQTG-GOEBONIOSA-N 0 1 396.520 3.210 20 0 GGADMN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCC[C@H]1c1ccccc1 ZINC000737525616 1446549541 /nfs/dbraw/zinc/54/95/41/1446549541.db2.gz UZBQVILVECUSME-IBGZPJMESA-N 0 1 386.463 3.228 20 0 GGADMN C[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531603 1446560017 /nfs/dbraw/zinc/56/00/17/1446560017.db2.gz PPPZIROAYJLBDS-HWPZZCPQSA-N 0 1 395.360 3.409 20 0 GGADMN C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824537928 1446575387 /nfs/dbraw/zinc/57/53/87/1446575387.db2.gz GIZSLPZKOIJWAV-ZUOKHONESA-N 0 1 377.448 3.440 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736268932 1446577117 /nfs/dbraw/zinc/57/71/17/1446577117.db2.gz YNXIUZLWZZMJFC-LLVKDONJSA-N 0 1 383.422 3.203 20 0 GGADMN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736268932 1446577123 /nfs/dbraw/zinc/57/71/23/1446577123.db2.gz YNXIUZLWZZMJFC-LLVKDONJSA-N 0 1 383.422 3.203 20 0 GGADMN C[C@@H]1CCC[N@H+](C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736268932 1446577129 /nfs/dbraw/zinc/57/71/29/1446577129.db2.gz YNXIUZLWZZMJFC-LLVKDONJSA-N 0 1 383.422 3.203 20 0 GGADMN C[C@H](Cc1ccsc1)[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824464641 1446595151 /nfs/dbraw/zinc/59/51/51/1446595151.db2.gz ISZNJOOJRVJASA-OAHLLOKOSA-N 0 1 382.537 3.113 20 0 GGADMN COc1c(Br)cccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821698750 1446609491 /nfs/dbraw/zinc/60/94/91/1446609491.db2.gz XFLCMEDYHDOIHC-UHFFFAOYSA-N 0 1 392.232 3.067 20 0 GGADMN CC1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736211184 1446611406 /nfs/dbraw/zinc/61/14/06/1446611406.db2.gz MPGQNRVDZDTUTI-UHFFFAOYSA-N 0 1 388.541 3.400 20 0 GGADMN CC1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736211184 1446611410 /nfs/dbraw/zinc/61/14/10/1446611410.db2.gz MPGQNRVDZDTUTI-UHFFFAOYSA-N 0 1 388.541 3.400 20 0 GGADMN CC1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736211184 1446611414 /nfs/dbraw/zinc/61/14/14/1446611414.db2.gz MPGQNRVDZDTUTI-UHFFFAOYSA-N 0 1 388.541 3.400 20 0 GGADMN Clc1cc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000737558897 1446619125 /nfs/dbraw/zinc/61/91/25/1446619125.db2.gz RBFXZXBKWPFFFP-HNNXBMFYSA-N 0 1 383.887 3.239 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000737558897 1446619129 /nfs/dbraw/zinc/61/91/29/1446619129.db2.gz RBFXZXBKWPFFFP-HNNXBMFYSA-N 0 1 383.887 3.239 20 0 GGADMN Clc1cc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000737558897 1446619135 /nfs/dbraw/zinc/61/91/35/1446619135.db2.gz RBFXZXBKWPFFFP-HNNXBMFYSA-N 0 1 383.887 3.239 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000736199843 1446635301 /nfs/dbraw/zinc/63/53/01/1446635301.db2.gz ZCSJDFVSKCEZLJ-OAHLLOKOSA-N 0 1 397.527 3.024 20 0 GGADMN CCO[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000821369205 1446636567 /nfs/dbraw/zinc/63/65/67/1446636567.db2.gz XRVJBBXPLAXBQO-NRFANRHFSA-N 0 1 393.491 3.447 20 0 GGADMN C[C@@H]1C[N@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000820758738 1446641429 /nfs/dbraw/zinc/64/14/29/1446641429.db2.gz CJKCCKOLGQMFSI-BETUJISGSA-N 0 1 398.433 3.187 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000826175688 1446650546 /nfs/dbraw/zinc/65/05/46/1446650546.db2.gz MWBXLIRKIFIJII-GOSISDBHSA-N 0 1 379.464 3.052 20 0 GGADMN c1cc2[nH+]ccc(N3CCCN(c4ccccc4-c4nnn[n-]4)CC3)c2s1 ZINC000823787794 1446651483 /nfs/dbraw/zinc/65/14/83/1446651483.db2.gz RCCUMLUQEOWMEZ-UHFFFAOYSA-N 0 1 377.477 3.193 20 0 GGADMN CO[C@@H]1CCCN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000826147064 1446654149 /nfs/dbraw/zinc/65/41/49/1446654149.db2.gz MSVNNFJSWVLOLP-LLVKDONJSA-N 0 1 390.394 3.022 20 0 GGADMN CC1CC[NH+](C[C@@H]2CCCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)CC1 ZINC000824957774 1446695084 /nfs/dbraw/zinc/69/50/84/1446695084.db2.gz ZMUBQHSBVMQXSC-KRWDZBQOSA-N 0 1 391.523 3.363 20 0 GGADMN Cc1cccc(-c2ccc(C[NH2+][C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000737380162 1446706481 /nfs/dbraw/zinc/70/64/81/1446706481.db2.gz MGMBWVHLSNELIZ-NRFANRHFSA-N 0 1 398.470 3.158 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000737032224 1446713764 /nfs/dbraw/zinc/71/37/64/1446713764.db2.gz FYPPDQIKPSDFCP-GFCCVEGCSA-N 0 1 389.406 3.225 20 0 GGADMN CCS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736664898 1446724967 /nfs/dbraw/zinc/72/49/67/1446724967.db2.gz LXZKMPNQDWXVIR-JSGCOSHPSA-N 0 1 392.529 3.011 20 0 GGADMN CCC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821100340 1446727593 /nfs/dbraw/zinc/72/75/93/1446727593.db2.gz YQWAGNZOJKIXAS-AWEZNQCLSA-N 0 1 382.443 3.245 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(Cl)cc1 ZINC000821206527 1446731002 /nfs/dbraw/zinc/73/10/02/1446731002.db2.gz CGESUHGIUOOBTB-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN CC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000821206527 1446731004 /nfs/dbraw/zinc/73/10/04/1446731004.db2.gz CGESUHGIUOOBTB-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN CC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Cl)cc1 ZINC000821206527 1446731008 /nfs/dbraw/zinc/73/10/08/1446731008.db2.gz CGESUHGIUOOBTB-UHFFFAOYSA-N 0 1 384.871 3.371 20 0 GGADMN C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820426016 1446736829 /nfs/dbraw/zinc/73/68/29/1446736829.db2.gz DYXZIWQJQHHENF-CQSZACIVSA-N 0 1 397.504 3.222 20 0 GGADMN COc1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)ccc1OC(F)F ZINC000826179570 1446754697 /nfs/dbraw/zinc/75/46/97/1446754697.db2.gz VCSVZJQUSLBOSE-UHFFFAOYSA-N 0 1 391.378 3.234 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1-c1nnn[n-]1 ZINC000826202875 1446765690 /nfs/dbraw/zinc/76/56/90/1446765690.db2.gz QXOZZIVZNVXNQH-MAUKXSAKSA-N 0 1 384.528 3.008 20 0 GGADMN COc1ccc(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1-c1nn[n-]n1 ZINC000826202875 1446765695 /nfs/dbraw/zinc/76/56/95/1446765695.db2.gz QXOZZIVZNVXNQH-MAUKXSAKSA-N 0 1 384.528 3.008 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000826167868 1446768201 /nfs/dbraw/zinc/76/82/01/1446768201.db2.gz UESZXBIXDBULHL-UHFFFAOYSA-N 0 1 388.269 3.270 20 0 GGADMN CC[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000825139291 1446779800 /nfs/dbraw/zinc/77/98/00/1446779800.db2.gz DLLMUJHSXIVZBW-CQSZACIVSA-N 0 1 392.435 3.276 20 0 GGADMN Brc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCC2)cc1 ZINC000819688398 1446791424 /nfs/dbraw/zinc/79/14/24/1446791424.db2.gz IIBSAZUNEVPLCQ-UHFFFAOYSA-N 0 1 388.269 3.434 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)C1 ZINC000820722091 1446792483 /nfs/dbraw/zinc/79/24/83/1446792483.db2.gz FUOWTVTUINPGBZ-AWEZNQCLSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@H]1CC[N@H+](CCOc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820722091 1446792490 /nfs/dbraw/zinc/79/24/90/1446792490.db2.gz FUOWTVTUINPGBZ-AWEZNQCLSA-N 0 1 384.509 3.261 20 0 GGADMN C[C@H]1CC[N@@H+](CCOc2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)C1 ZINC000820722091 1446792494 /nfs/dbraw/zinc/79/24/94/1446792494.db2.gz FUOWTVTUINPGBZ-AWEZNQCLSA-N 0 1 384.509 3.261 20 0 GGADMN CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820192577 1446792712 /nfs/dbraw/zinc/79/27/12/1446792712.db2.gz UWSHUUAPFUFFOD-QGZVFWFLSA-N 0 1 396.520 3.289 20 0 GGADMN CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000820192577 1446792719 /nfs/dbraw/zinc/79/27/19/1446792719.db2.gz UWSHUUAPFUFFOD-QGZVFWFLSA-N 0 1 396.520 3.289 20 0 GGADMN CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)C1 ZINC000820989042 1446795613 /nfs/dbraw/zinc/79/56/13/1446795613.db2.gz KWMVZYIYESUHIS-OLZOCXBDSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000820989042 1446795619 /nfs/dbraw/zinc/79/56/19/1446795619.db2.gz KWMVZYIYESUHIS-OLZOCXBDSA-N 0 1 388.541 3.114 20 0 GGADMN CC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C1 ZINC000820989042 1446795622 /nfs/dbraw/zinc/79/56/22/1446795622.db2.gz KWMVZYIYESUHIS-OLZOCXBDSA-N 0 1 388.541 3.114 20 0 GGADMN O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)Nc1ccccc1 ZINC000826434103 1446805646 /nfs/dbraw/zinc/80/56/46/1446805646.db2.gz CHEGSSNLZOYNSG-HNNXBMFYSA-N 0 1 397.508 3.104 20 0 GGADMN CCOc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000825638076 1446808413 /nfs/dbraw/zinc/80/84/13/1446808413.db2.gz DOBWXZWXLAFDPX-UHFFFAOYSA-N 0 1 394.479 3.140 20 0 GGADMN CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000824954380 1446811309 /nfs/dbraw/zinc/81/13/09/1446811309.db2.gz JUMYBRKAKPVJDQ-UHFFFAOYSA-N 0 1 383.500 3.031 20 0 GGADMN c1sc(CCc2ccccc2)nc1C[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823779856 1446827708 /nfs/dbraw/zinc/82/77/08/1446827708.db2.gz JSSKNBJIJSFYBI-UHFFFAOYSA-N 0 1 382.518 3.460 20 0 GGADMN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000824908145 1446832615 /nfs/dbraw/zinc/83/26/15/1446832615.db2.gz MSBVURLMIUJLAR-INMHGKMJSA-N 0 1 377.496 3.257 20 0 GGADMN C[C@H]1CCN(c2c(-c3nnn[n-]3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1F ZINC000824962522 1446843957 /nfs/dbraw/zinc/84/39/57/1446843957.db2.gz VDLCHWQMIRRBJL-TVQRCGJNSA-N 0 1 378.358 3.201 20 0 GGADMN Cc1cccc2c(NCC3([C@H](O)c4ccccc4)CC3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000826305506 1446854092 /nfs/dbraw/zinc/85/40/92/1446854092.db2.gz YWCDFSCVDALWPX-HXUWFJFHSA-N 0 1 386.459 3.071 20 0 GGADMN Cc1[nH+]ccn1CCCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826331724 1446880469 /nfs/dbraw/zinc/88/04/69/1446880469.db2.gz VRUBSAJHXIJRFF-UHFFFAOYSA-N 0 1 380.424 3.297 20 0 GGADMN C[C@H](C[N@@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000820253913 1446883824 /nfs/dbraw/zinc/88/38/24/1446883824.db2.gz KYKGAUNJLFVKBN-CQSZACIVSA-N 0 1 375.436 3.152 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)[C@H]1C ZINC000820722916 1446906191 /nfs/dbraw/zinc/90/61/91/1446906191.db2.gz RJKIXVFGQUUWAM-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)[C@H]1C ZINC000820722916 1446906194 /nfs/dbraw/zinc/90/61/94/1446906194.db2.gz RJKIXVFGQUUWAM-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)[C@H]1C ZINC000820722916 1446906195 /nfs/dbraw/zinc/90/61/95/1446906195.db2.gz RJKIXVFGQUUWAM-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820562765 1446919073 /nfs/dbraw/zinc/91/90/73/1446919073.db2.gz ISTBISBLPCHKFF-GMYLUUGSSA-N 0 1 394.504 3.050 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562765 1446919075 /nfs/dbraw/zinc/91/90/75/1446919075.db2.gz ISTBISBLPCHKFF-GMYLUUGSSA-N 0 1 394.504 3.050 20 0 GGADMN C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820562765 1446919077 /nfs/dbraw/zinc/91/90/77/1446919077.db2.gz ISTBISBLPCHKFF-GMYLUUGSSA-N 0 1 394.504 3.050 20 0 GGADMN Cc1ccc(OC2CC[NH+](CCOc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000737365018 1446921624 /nfs/dbraw/zinc/92/16/24/1446921624.db2.gz NMLCEESZFUXKCE-UHFFFAOYSA-N 0 1 379.464 3.097 20 0 GGADMN COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)N2CCCC2)cc1 ZINC000826189319 1446939893 /nfs/dbraw/zinc/93/98/93/1446939893.db2.gz SVQVJCQGDYFMGL-IIBYNOLFSA-N 0 1 392.507 3.363 20 0 GGADMN Cc1ccccc1[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826305839 1446941799 /nfs/dbraw/zinc/94/17/99/1446941799.db2.gz JUGFLJCCOJTYRI-HXUWFJFHSA-N 0 1 376.464 3.245 20 0 GGADMN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000820659452 1446943129 /nfs/dbraw/zinc/94/31/29/1446943129.db2.gz XIHMXQFIRNLRTB-VQIMIIECSA-N 0 1 394.498 3.491 20 0 GGADMN Fc1cccc(O[C@@H]2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)c1 ZINC000826377288 1446946100 /nfs/dbraw/zinc/94/61/00/1446946100.db2.gz LVXJHDTUQSXKNO-OAHLLOKOSA-N 0 1 376.395 3.212 20 0 GGADMN CCN(C(=O)C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000825372422 1446946775 /nfs/dbraw/zinc/94/67/75/1446946775.db2.gz XSFJQESPGZHQHS-UHFFFAOYSA-N 0 1 388.475 3.009 20 0 GGADMN CCN(C(=O)C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000825372422 1446946777 /nfs/dbraw/zinc/94/67/77/1446946777.db2.gz XSFJQESPGZHQHS-UHFFFAOYSA-N 0 1 388.475 3.009 20 0 GGADMN Cc1cc(F)ccc1CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826268707 1446951518 /nfs/dbraw/zinc/95/15/18/1446951518.db2.gz KCHFQOGIFCTQNB-UHFFFAOYSA-N 0 1 391.454 3.047 20 0 GGADMN COc1ccc(C[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C(C)(C)C)c(OC)c1 ZINC000826194040 1446958024 /nfs/dbraw/zinc/95/80/24/1446958024.db2.gz YOTJKTRSHCLBEK-UHFFFAOYSA-N 0 1 382.468 3.080 20 0 GGADMN COc1ccc(C[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)C(C)(C)C)c(OC)c1 ZINC000826194040 1446958026 /nfs/dbraw/zinc/95/80/26/1446958026.db2.gz YOTJKTRSHCLBEK-UHFFFAOYSA-N 0 1 382.468 3.080 20 0 GGADMN COc1ccc(C[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)C(C)(C)C)c(OC)c1 ZINC000826194040 1446958029 /nfs/dbraw/zinc/95/80/29/1446958029.db2.gz YOTJKTRSHCLBEK-UHFFFAOYSA-N 0 1 382.468 3.080 20 0 GGADMN O[C@H](C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683113 1446961295 /nfs/dbraw/zinc/96/12/95/1446961295.db2.gz YUJJINUFEXGEOX-RBUKOAKNSA-N 0 1 385.418 3.406 20 0 GGADMN COc1ccc2c(c1)C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)CC2 ZINC000826212704 1446963080 /nfs/dbraw/zinc/96/30/80/1446963080.db2.gz YYFPPCGHZISVLT-GOSISDBHSA-N 0 1 395.532 3.256 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c(C)c2)CC1 ZINC000825466044 1446963416 /nfs/dbraw/zinc/96/34/16/1446963416.db2.gz WHJVQVCZGHSHGN-QGZVFWFLSA-N 0 1 391.523 3.490 20 0 GGADMN Cc1ccnc(N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826312729 1446965087 /nfs/dbraw/zinc/96/50/87/1446965087.db2.gz NAVGHEPINVYNTN-FUHWJXTLSA-N 0 1 399.449 3.484 20 0 GGADMN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000737032515 1446974192 /nfs/dbraw/zinc/97/41/92/1446974192.db2.gz LSTPFKHBFOUTLH-UHFFFAOYSA-N 0 1 397.454 3.305 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658306 1446976223 /nfs/dbraw/zinc/97/62/23/1446976223.db2.gz RHUYJVCTKXHUSE-GOEBONIOSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658306 1446976225 /nfs/dbraw/zinc/97/62/25/1446976225.db2.gz RHUYJVCTKXHUSE-GOEBONIOSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658306 1446976229 /nfs/dbraw/zinc/97/62/29/1446976229.db2.gz RHUYJVCTKXHUSE-GOEBONIOSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000824427398 1446977728 /nfs/dbraw/zinc/97/77/28/1446977728.db2.gz MRRRLOSLGQIVCR-KRWDZBQOSA-N 0 1 376.508 3.224 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2sccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000736228579 1446981549 /nfs/dbraw/zinc/98/15/49/1446981549.db2.gz OHTFVHMTDKXQAR-GOEBONIOSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2sccc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736228579 1446981552 /nfs/dbraw/zinc/98/15/52/1446981552.db2.gz OHTFVHMTDKXQAR-GOEBONIOSA-N 0 1 396.520 3.053 20 0 GGADMN C[C@H]1C[C@H](N(C)C(=O)c2sccc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000736228579 1446981556 /nfs/dbraw/zinc/98/15/56/1446981556.db2.gz OHTFVHMTDKXQAR-GOEBONIOSA-N 0 1 396.520 3.053 20 0 GGADMN CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825653313 1446988737 /nfs/dbraw/zinc/98/87/37/1446988737.db2.gz AFYAHFIIUUQCED-STQMWFEESA-N 0 1 398.467 3.153 20 0 GGADMN CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000820949784 1446989298 /nfs/dbraw/zinc/98/92/98/1446989298.db2.gz FPSQSDDLFKVUFD-IBGZPJMESA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820949784 1446989302 /nfs/dbraw/zinc/98/93/02/1446989302.db2.gz FPSQSDDLFKVUFD-IBGZPJMESA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000820949784 1446989306 /nfs/dbraw/zinc/98/93/06/1446989306.db2.gz FPSQSDDLFKVUFD-IBGZPJMESA-N 0 1 388.541 3.258 20 0 GGADMN c1ccc(C[C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823779507 1446991881 /nfs/dbraw/zinc/99/18/81/1446991881.db2.gz FHWLMDZPYXARKK-SFHVURJKSA-N 0 1 387.447 3.124 20 0 GGADMN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H](C)c1ccccc1 ZINC000820411280 1446996745 /nfs/dbraw/zinc/99/67/45/1446996745.db2.gz HSWCQVACALKNCY-JKSUJKDBSA-N 0 1 377.496 3.012 20 0 GGADMN c1coc([C@@H](C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)N2CCCC2)c1 ZINC000826526329 1446998105 /nfs/dbraw/zinc/99/81/05/1446998105.db2.gz UNOUBFOMHCMTON-RBUKOAKNSA-N 0 1 378.480 3.264 20 0 GGADMN C[C@H](CCc1ccccc1)C[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824406360 1447000424 /nfs/dbraw/zinc/00/04/24/1447000424.db2.gz IFQBGJHNRMWJDR-QGZVFWFLSA-N 0 1 391.523 3.089 20 0 GGADMN C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)no1 ZINC000824427742 1447017716 /nfs/dbraw/zinc/01/77/16/1447017716.db2.gz NZHHEEQUHCGNOL-KGLIPLIRSA-N 0 1 375.436 3.371 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000822204528 1447021637 /nfs/dbraw/zinc/02/16/37/1447021637.db2.gz RWBKZRZJXALCJN-UHFFFAOYSA-N 0 1 395.486 3.317 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[N@@H+](C2CCCC2)CC1 ZINC000822204528 1447021640 /nfs/dbraw/zinc/02/16/40/1447021640.db2.gz RWBKZRZJXALCJN-UHFFFAOYSA-N 0 1 395.486 3.317 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[N@H+](C2CCCC2)CC1 ZINC000822204528 1447021645 /nfs/dbraw/zinc/02/16/45/1447021645.db2.gz RWBKZRZJXALCJN-UHFFFAOYSA-N 0 1 395.486 3.317 20 0 GGADMN Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000826268109 1447053958 /nfs/dbraw/zinc/05/39/58/1447053958.db2.gz KFSOMKLZHDAMMK-HNNXBMFYSA-N 0 1 395.486 3.031 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209530 1447058276 /nfs/dbraw/zinc/05/82/76/1447058276.db2.gz AAXFTFSPNDPOHE-JSGCOSHPSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209530 1447058281 /nfs/dbraw/zinc/05/82/81/1447058281.db2.gz AAXFTFSPNDPOHE-JSGCOSHPSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825209530 1447058285 /nfs/dbraw/zinc/05/82/85/1447058285.db2.gz AAXFTFSPNDPOHE-JSGCOSHPSA-N 0 1 392.529 3.053 20 0 GGADMN CC[C@H](NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1nccs1 ZINC000825139081 1447060380 /nfs/dbraw/zinc/06/03/80/1447060380.db2.gz BJQLZAGWUFLFCT-KRWDZBQOSA-N 0 1 383.525 3.029 20 0 GGADMN CC[C@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1nccs1 ZINC000825139081 1447060384 /nfs/dbraw/zinc/06/03/84/1447060384.db2.gz BJQLZAGWUFLFCT-KRWDZBQOSA-N 0 1 383.525 3.029 20 0 GGADMN Cc1ccnc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1-c1nn[n-]n1 ZINC000826311254 1447060823 /nfs/dbraw/zinc/06/08/23/1447060823.db2.gz YKSKXXOZGPROMW-UHFFFAOYSA-N 0 1 385.475 3.046 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736194621 1447065086 /nfs/dbraw/zinc/06/50/86/1447065086.db2.gz CBLNUSDWXXUNQW-BEFAXECRSA-N 0 1 376.464 3.055 20 0 GGADMN COCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)c(OC)c(C)c1 ZINC000826159065 1447066290 /nfs/dbraw/zinc/06/62/90/1447066290.db2.gz OWZRICZWKDRMAK-UHFFFAOYSA-N 0 1 381.480 3.141 20 0 GGADMN CCc1csc([C@H]2CCC[N@@H+](Cc3cc(-c4nnn[n-]4)ccc3OC)C2)n1 ZINC000825740707 1447070474 /nfs/dbraw/zinc/07/04/74/1447070474.db2.gz YYKIHIMSGKSNHX-AWEZNQCLSA-N 0 1 384.509 3.274 20 0 GGADMN C[C@@]1([NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCCc2ccccc21 ZINC000820623762 1447075163 /nfs/dbraw/zinc/07/51/63/1447075163.db2.gz XZMRGLJSZAROMU-OAQYLSRUSA-N 0 1 387.447 3.258 20 0 GGADMN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820236026 1447082469 /nfs/dbraw/zinc/08/24/69/1447082469.db2.gz WENFOYHRNUQSSW-QFBILLFUSA-N 0 1 393.491 3.350 20 0 GGADMN Cc1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000826288677 1447086174 /nfs/dbraw/zinc/08/61/74/1447086174.db2.gz RLSPFQRIPTYBGC-UHFFFAOYSA-N 0 1 376.233 3.367 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736055774 1447089404 /nfs/dbraw/zinc/08/94/04/1447089404.db2.gz IZCRATYBQYLFFB-AWEZNQCLSA-N 0 1 398.898 3.412 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736055774 1447089409 /nfs/dbraw/zinc/08/94/09/1447089409.db2.gz IZCRATYBQYLFFB-AWEZNQCLSA-N 0 1 398.898 3.412 20 0 GGADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736055774 1447089413 /nfs/dbraw/zinc/08/94/13/1447089413.db2.gz IZCRATYBQYLFFB-AWEZNQCLSA-N 0 1 398.898 3.412 20 0 GGADMN Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737512673 1447094697 /nfs/dbraw/zinc/09/46/97/1447094697.db2.gz YWZNMSYLQKGMCV-UHFFFAOYSA-N 0 1 379.493 3.235 20 0 GGADMN Cc1ccc(C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826288828 1447121016 /nfs/dbraw/zinc/12/10/16/1447121016.db2.gz YGLUHUKHECJROP-UHFFFAOYSA-N 0 1 376.508 3.238 20 0 GGADMN O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737848441 1447122698 /nfs/dbraw/zinc/12/26/98/1447122698.db2.gz ZCICYWUVVYNYGR-QGZVFWFLSA-N 0 1 382.493 3.388 20 0 GGADMN C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821609901 1447127201 /nfs/dbraw/zinc/12/72/01/1447127201.db2.gz QNYVZNJEDDGCTP-MRXNPFEDSA-N 0 1 378.263 3.339 20 0 GGADMN C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821609901 1447127205 /nfs/dbraw/zinc/12/72/05/1447127205.db2.gz QNYVZNJEDDGCTP-MRXNPFEDSA-N 0 1 378.263 3.339 20 0 GGADMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000737204275 1447128702 /nfs/dbraw/zinc/12/87/02/1447128702.db2.gz YVFAFTCVLJGBOO-CYBMUJFWSA-N 0 1 385.516 3.071 20 0 GGADMN COc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1-c1nn[n-]n1 ZINC000826194509 1447142717 /nfs/dbraw/zinc/14/27/17/1447142717.db2.gz NRNFINIYDGFTQO-UHFFFAOYSA-N 0 1 378.480 3.260 20 0 GGADMN C[C@H](C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)N(C)Cc1ccccc1 ZINC000824426471 1447164588 /nfs/dbraw/zinc/16/45/88/1447164588.db2.gz FWWOCBYJVXWHJA-IIBYNOLFSA-N 0 1 376.508 3.354 20 0 GGADMN CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000736679254 1447164605 /nfs/dbraw/zinc/16/46/05/1447164605.db2.gz PTWWVGYPEILCII-OAHLLOKOSA-N 0 1 396.520 3.341 20 0 GGADMN CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000736679254 1447164607 /nfs/dbraw/zinc/16/46/07/1447164607.db2.gz PTWWVGYPEILCII-OAHLLOKOSA-N 0 1 396.520 3.341 20 0 GGADMN CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000736679254 1447164609 /nfs/dbraw/zinc/16/46/09/1447164609.db2.gz PTWWVGYPEILCII-OAHLLOKOSA-N 0 1 396.520 3.341 20 0 GGADMN CC[NH+]1CCN(c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000821275509 1447169950 /nfs/dbraw/zinc/16/99/50/1447169950.db2.gz AMFWFWHHBFYERE-INIZCTEOSA-N 0 1 377.496 3.182 20 0 GGADMN c1ccc(C[NH+]2CCC(CNc3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000823780956 1447188972 /nfs/dbraw/zinc/18/89/72/1447188972.db2.gz XAZRFBVDBYXVHD-UHFFFAOYSA-N 0 1 399.502 3.161 20 0 GGADMN OCCC[N@H+](Cc1cccc(Cl)c1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826509826 1447198785 /nfs/dbraw/zinc/19/87/85/1447198785.db2.gz LPPLNVGOVBKLNS-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826509826 1447198790 /nfs/dbraw/zinc/19/87/90/1447198790.db2.gz LPPLNVGOVBKLNS-UHFFFAOYSA-N 0 1 375.835 3.044 20 0 GGADMN c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826520793 1447200082 /nfs/dbraw/zinc/20/00/82/1447200082.db2.gz REMHSVZCOFIBLE-VXKWHMMOSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520793 1447200087 /nfs/dbraw/zinc/20/00/87/1447200087.db2.gz REMHSVZCOFIBLE-VXKWHMMOSA-N 0 1 388.519 3.178 20 0 GGADMN c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826520793 1447200091 /nfs/dbraw/zinc/20/00/91/1447200091.db2.gz REMHSVZCOFIBLE-VXKWHMMOSA-N 0 1 388.519 3.178 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824764905 1447207204 /nfs/dbraw/zinc/20/72/04/1447207204.db2.gz ZRDKVHVAJLHNCO-LBPRGKRZSA-N 0 1 390.463 3.085 20 0 GGADMN C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824764905 1447207208 /nfs/dbraw/zinc/20/72/08/1447207208.db2.gz ZRDKVHVAJLHNCO-LBPRGKRZSA-N 0 1 390.463 3.085 20 0 GGADMN C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824578496 1447211036 /nfs/dbraw/zinc/21/10/36/1447211036.db2.gz UNTRBOIYDITHJL-CRAIPNDOSA-N 0 1 380.471 3.321 20 0 GGADMN CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001139855577 1447220114 /nfs/dbraw/zinc/22/01/14/1447220114.db2.gz WNVMKGGZHTXMBN-QAQDUYKDSA-N 0 1 385.512 3.448 20 0 GGADMN CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139855577 1447220120 /nfs/dbraw/zinc/22/01/20/1447220120.db2.gz WNVMKGGZHTXMBN-QAQDUYKDSA-N 0 1 385.512 3.448 20 0 GGADMN CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001139855577 1447220126 /nfs/dbraw/zinc/22/01/26/1447220126.db2.gz WNVMKGGZHTXMBN-QAQDUYKDSA-N 0 1 385.512 3.448 20 0 GGADMN CN(CCCC[NH+](C)C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736759174 1447220370 /nfs/dbraw/zinc/22/03/70/1447220370.db2.gz OXOKJUYTYXFDSQ-UHFFFAOYSA-N 0 1 394.479 3.073 20 0 GGADMN Brc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1 ZINC000819688897 1447222524 /nfs/dbraw/zinc/22/25/24/1447222524.db2.gz QQFXMAMXSDYTLB-UHFFFAOYSA-N 0 1 381.237 3.211 20 0 GGADMN Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1C ZINC000826287786 1447234834 /nfs/dbraw/zinc/23/48/34/1447234834.db2.gz CZKNYXJJUPKWJF-UHFFFAOYSA-N 0 1 390.491 3.334 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)c(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000822758530 1447235467 /nfs/dbraw/zinc/23/54/67/1447235467.db2.gz QPEDKJSLWTWSKX-KRWDZBQOSA-N 0 1 381.411 3.114 20 0 GGADMN C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1(C)CC1 ZINC000820307340 1447239081 /nfs/dbraw/zinc/23/90/81/1447239081.db2.gz LOOHIUVWUXYRJN-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]([N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(C)CC1 ZINC000820307340 1447239086 /nfs/dbraw/zinc/23/90/86/1447239086.db2.gz LOOHIUVWUXYRJN-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1(C)CC1 ZINC000820307340 1447239091 /nfs/dbraw/zinc/23/90/91/1447239091.db2.gz LOOHIUVWUXYRJN-LBPRGKRZSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1cc[nH+]c(NC[C@@H]2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)C2)c1 ZINC000737438008 1447242487 /nfs/dbraw/zinc/24/24/87/1447242487.db2.gz XHQGIPPKAVSVBX-HNNXBMFYSA-N 0 1 386.463 3.057 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826188283 1447261702 /nfs/dbraw/zinc/26/17/02/1447261702.db2.gz SFOWAHWFQPISTI-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572950 1447275665 /nfs/dbraw/zinc/27/56/65/1447275665.db2.gz YIEFFAPLUZLDKS-APPDUMDISA-N 0 1 395.360 3.107 20 0 GGADMN c1ccc2c(c1)cncc2C[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000823773548 1447276407 /nfs/dbraw/zinc/27/64/07/1447276407.db2.gz VFPZYZUWYVKWBF-UHFFFAOYSA-N 0 1 376.489 3.438 20 0 GGADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737149058 1447283128 /nfs/dbraw/zinc/28/31/28/1447283128.db2.gz VXWYMGUUDQEVTI-SFHVURJKSA-N 0 1 392.463 3.041 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@H]1CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826503131 1447286525 /nfs/dbraw/zinc/28/65/25/1447286525.db2.gz RGWIIRDEUJUHJE-SFTDATJTSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@@H](C[N@@H+]1CCCC[C@H]1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503131 1447286532 /nfs/dbraw/zinc/28/65/32/1447286532.db2.gz RGWIIRDEUJUHJE-SFTDATJTSA-N 0 1 377.492 3.387 20 0 GGADMN O[C@@H](C[N@H+]1CCCC[C@H]1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826503131 1447286539 /nfs/dbraw/zinc/28/65/39/1447286539.db2.gz RGWIIRDEUJUHJE-SFTDATJTSA-N 0 1 377.492 3.387 20 0 GGADMN CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000736403775 1447287664 /nfs/dbraw/zinc/28/76/64/1447287664.db2.gz WVVMEJJERJRPBV-CYBMUJFWSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736403775 1447287666 /nfs/dbraw/zinc/28/76/66/1447287666.db2.gz WVVMEJJERJRPBV-CYBMUJFWSA-N 0 1 388.541 3.258 20 0 GGADMN CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000736403775 1447287668 /nfs/dbraw/zinc/28/76/68/1447287668.db2.gz WVVMEJJERJRPBV-CYBMUJFWSA-N 0 1 388.541 3.258 20 0 GGADMN CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000736213109 1447287940 /nfs/dbraw/zinc/28/79/40/1447287940.db2.gz HJDWTNGLILNJME-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000736213109 1447287945 /nfs/dbraw/zinc/28/79/45/1447287945.db2.gz HJDWTNGLILNJME-UHFFFAOYSA-N 0 1 383.887 3.016 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824945312 1447302415 /nfs/dbraw/zinc/30/24/15/1447302415.db2.gz BCOZOWZBMZTQOJ-MNOVXSKESA-N 0 1 397.310 3.024 20 0 GGADMN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945312 1447302416 /nfs/dbraw/zinc/30/24/16/1447302416.db2.gz BCOZOWZBMZTQOJ-MNOVXSKESA-N 0 1 397.310 3.024 20 0 GGADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824945312 1447302417 /nfs/dbraw/zinc/30/24/17/1447302417.db2.gz BCOZOWZBMZTQOJ-MNOVXSKESA-N 0 1 397.310 3.024 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000826183788 1447304037 /nfs/dbraw/zinc/30/40/37/1447304037.db2.gz ZXMUYLMVDCFANO-LJQANCHMSA-N 0 1 378.480 3.278 20 0 GGADMN C[C@@H]([NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)[C@@H]1CCCOC1 ZINC000824619701 1447319463 /nfs/dbraw/zinc/31/94/63/1447319463.db2.gz ZFKQDMFETLUOMS-OXQOHEQNSA-N 0 1 393.491 3.350 20 0 GGADMN C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F)N1CCc2sccc2C1 ZINC000824569601 1447342732 /nfs/dbraw/zinc/34/27/32/1447342732.db2.gz JFGFWSCSXZVBMJ-CHWSQXEVSA-N 0 1 386.500 3.165 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820820668 1449014936 /nfs/dbraw/zinc/01/49/36/1449014936.db2.gz PHQSLYHLLVMHHU-GFCCVEGCSA-N 0 1 398.417 3.093 20 0 GGADMN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820820668 1449014942 /nfs/dbraw/zinc/01/49/42/1449014942.db2.gz PHQSLYHLLVMHHU-GFCCVEGCSA-N 0 1 398.417 3.093 20 0 GGADMN c1cc(C[NH2+]C[C@H]2CCCS2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751527 1449018280 /nfs/dbraw/zinc/01/82/80/1449018280.db2.gz LHZFPJINUBBNJD-LJQANCHMSA-N 0 1 381.505 3.431 20 0 GGADMN C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(F)c1 ZINC000824426319 1449039241 /nfs/dbraw/zinc/03/92/41/1449039241.db2.gz DATNCAFLEZFDRD-MRXNPFEDSA-N 0 1 394.498 3.364 20 0 GGADMN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000822744188 1449048724 /nfs/dbraw/zinc/04/87/24/1449048724.db2.gz NVCFFNWYIOQXFR-UHFFFAOYSA-N 0 1 381.459 3.071 20 0 GGADMN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000736233908 1449050386 /nfs/dbraw/zinc/05/03/86/1449050386.db2.gz HDTZGXKELCCMLT-BFYDXBDKSA-N 0 1 376.464 3.072 20 0 GGADMN CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825193131 1449061322 /nfs/dbraw/zinc/06/13/22/1449061322.db2.gz KQTRMFUKQNFTAH-OLZOCXBDSA-N 0 1 388.541 3.399 20 0 GGADMN CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825193131 1449061329 /nfs/dbraw/zinc/06/13/29/1449061329.db2.gz KQTRMFUKQNFTAH-OLZOCXBDSA-N 0 1 388.541 3.399 20 0 GGADMN CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000825193131 1449061333 /nfs/dbraw/zinc/06/13/33/1449061333.db2.gz KQTRMFUKQNFTAH-OLZOCXBDSA-N 0 1 388.541 3.399 20 0 GGADMN C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357674 1449076829 /nfs/dbraw/zinc/07/68/29/1449076829.db2.gz IGFAKMWADVDSMH-OAHLLOKOSA-N 0 1 397.527 3.024 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826297914 1449080121 /nfs/dbraw/zinc/08/01/21/1449080121.db2.gz WVFFRXZOTWIAIR-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN Cc1cccc(C2=CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826297914 1449080124 /nfs/dbraw/zinc/08/01/24/1449080124.db2.gz WVFFRXZOTWIAIR-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN Cc1cccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826297914 1449080131 /nfs/dbraw/zinc/08/01/31/1449080131.db2.gz WVFFRXZOTWIAIR-UHFFFAOYSA-N 0 1 388.475 3.293 20 0 GGADMN COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826189361 1449082401 /nfs/dbraw/zinc/08/24/01/1449082401.db2.gz UFTLEQQNJNZJJP-XEKQOVJPSA-N 0 1 385.443 3.441 20 0 GGADMN CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820050847 1449093598 /nfs/dbraw/zinc/09/35/98/1449093598.db2.gz HDNLAFILBJTPQT-UHFFFAOYSA-N 0 1 382.443 3.280 20 0 GGADMN CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735595260 1449107741 /nfs/dbraw/zinc/10/77/41/1449107741.db2.gz FHGDJOGGDDBWJL-KGLIPLIRSA-N 0 1 376.530 3.451 20 0 GGADMN CCCC[N@@H+](CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000821066578 1449111089 /nfs/dbraw/zinc/11/10/89/1449111089.db2.gz UYDABSVEDAVHPT-UHFFFAOYSA-N 0 1 391.541 3.075 20 0 GGADMN CCCC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000821066578 1449111095 /nfs/dbraw/zinc/11/10/95/1449111095.db2.gz UYDABSVEDAVHPT-UHFFFAOYSA-N 0 1 391.541 3.075 20 0 GGADMN CCCC[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000821066578 1449111098 /nfs/dbraw/zinc/11/10/98/1449111098.db2.gz UYDABSVEDAVHPT-UHFFFAOYSA-N 0 1 391.541 3.075 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1cccs1 ZINC000735549595 1449124675 /nfs/dbraw/zinc/12/46/75/1449124675.db2.gz BDIKOWGDKRWCEP-JTQLQIEISA-N 0 1 376.873 3.041 20 0 GGADMN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1cccs1 ZINC000735549595 1449124678 /nfs/dbraw/zinc/12/46/78/1449124678.db2.gz BDIKOWGDKRWCEP-JTQLQIEISA-N 0 1 376.873 3.041 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)Cc1nc2ccccc2n1C ZINC000822331608 1449127399 /nfs/dbraw/zinc/12/73/99/1449127399.db2.gz IAFUKCQJQJXXIP-UHFFFAOYSA-N 0 1 384.447 3.246 20 0 GGADMN C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824390420 1449144172 /nfs/dbraw/zinc/14/41/72/1449144172.db2.gz AFBXVMGUYSIAJV-GBLZOACLSA-N 0 1 381.455 3.485 20 0 GGADMN O[C@H](C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1)c1ccsc1 ZINC000826503205 1449146510 /nfs/dbraw/zinc/14/65/10/1449146510.db2.gz SSWPVIDLBXCFIN-QGZVFWFLSA-N 0 1 381.461 3.257 20 0 GGADMN COc1ccc(F)c(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826208894 1449151511 /nfs/dbraw/zinc/15/15/11/1449151511.db2.gz FBNSYKVBHIMIDL-UHFFFAOYSA-N 0 1 382.443 3.091 20 0 GGADMN COc1ccccc1[C@@H](Nc1[nH+]c(C)cc(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000826218541 1449163955 /nfs/dbraw/zinc/16/39/55/1449163955.db2.gz FULHZRRRHSZHOP-LJQANCHMSA-N 0 1 387.447 3.484 20 0 GGADMN Cc1cccc2c(N[C@H](C)C[C@H](O)c3ccc(F)cc3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000822335731 1449169911 /nfs/dbraw/zinc/16/99/11/1449169911.db2.gz LGTKDHIRBIIFGJ-ACJLOTCBSA-N 0 1 392.438 3.208 20 0 GGADMN COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218918 1449173832 /nfs/dbraw/zinc/17/38/32/1449173832.db2.gz NZKGLUIMTLJULM-RTBURBONSA-N 0 1 381.480 3.286 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822083851 1449174981 /nfs/dbraw/zinc/17/49/81/1449174981.db2.gz DXPNNAGTNOLITB-WBVHZDCISA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083851 1449174987 /nfs/dbraw/zinc/17/49/87/1449174987.db2.gz DXPNNAGTNOLITB-WBVHZDCISA-N 0 1 397.527 3.293 20 0 GGADMN Cc1c(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822083851 1449174993 /nfs/dbraw/zinc/17/49/93/1449174993.db2.gz DXPNNAGTNOLITB-WBVHZDCISA-N 0 1 397.527 3.293 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000819876653 1449180839 /nfs/dbraw/zinc/18/08/39/1449180839.db2.gz IEUJFUBNJZIEJC-KHYOSLBOSA-N 0 1 376.464 3.072 20 0 GGADMN c1ccc(-c2ccccc2C[NH+]2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000826519160 1449195498 /nfs/dbraw/zinc/19/54/98/1449195498.db2.gz MTOPUXFFBRSBRS-UHFFFAOYSA-N 0 1 397.486 3.251 20 0 GGADMN CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825856575 1449209533 /nfs/dbraw/zinc/20/95/33/1449209533.db2.gz XOJZJRZYLFTGDO-CTNGQTDRSA-N 0 1 376.508 3.007 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(-c3nn[n-]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658930 1449227719 /nfs/dbraw/zinc/22/77/19/1449227719.db2.gz VKWJAANPNFKIRK-DNVCBOLYSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(-c3nnn[n-]3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000820658930 1449227729 /nfs/dbraw/zinc/22/77/29/1449227729.db2.gz VKWJAANPNFKIRK-DNVCBOLYSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H]1C[C@H](NCc2ccc(-c3nnn[n-]3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658930 1449227732 /nfs/dbraw/zinc/22/77/32/1449227732.db2.gz VKWJAANPNFKIRK-DNVCBOLYSA-N 0 1 380.471 3.149 20 0 GGADMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nccs1 ZINC000824414331 1449265770 /nfs/dbraw/zinc/26/57/70/1449265770.db2.gz ZNNIYZQOCVSGNE-JTQLQIEISA-N 0 1 380.424 3.160 20 0 GGADMN C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824384489 1449271120 /nfs/dbraw/zinc/27/11/20/1449271120.db2.gz CQHXTDNNPLUIQY-CYBMUJFWSA-N 0 1 380.427 3.002 20 0 GGADMN Fc1c(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cccc1-c1nn[n-]n1 ZINC000826370664 1449275888 /nfs/dbraw/zinc/27/58/88/1449275888.db2.gz CSKNLVWRWTZNPX-SNVBAGLBSA-N 0 1 395.364 3.127 20 0 GGADMN CCOc1cc(CCCNc2[nH+]c(C)cc(C)c2-c2nnn[n-]2)ccc1OC ZINC000736627281 1449278529 /nfs/dbraw/zinc/27/85/29/1449278529.db2.gz YOXFTLLSBHSBOT-UHFFFAOYSA-N 0 1 382.468 3.331 20 0 GGADMN CC[C@H]([NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000825139693 1449320290 /nfs/dbraw/zinc/32/02/90/1449320290.db2.gz GYWCWMQJTBYRAH-KRWDZBQOSA-N 0 1 377.448 3.368 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824569304 1449321118 /nfs/dbraw/zinc/32/11/18/1449321118.db2.gz GRNFJJCSWSQEAR-QLJPJBMISA-N 0 1 395.360 3.409 20 0 GGADMN CC[C@H](C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825066774 1449329436 /nfs/dbraw/zinc/32/94/36/1449329436.db2.gz FBIIWKZCPXISIY-AWEZNQCLSA-N 0 1 389.463 3.316 20 0 GGADMN CC[C@H](C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1nc(=O)c2ccccc2[nH]1 ZINC000825066774 1449329438 /nfs/dbraw/zinc/32/94/38/1449329438.db2.gz FBIIWKZCPXISIY-AWEZNQCLSA-N 0 1 389.463 3.316 20 0 GGADMN CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821449912 1449332135 /nfs/dbraw/zinc/33/21/35/1449332135.db2.gz YEOGYMGTGUGONS-OLZOCXBDSA-N 0 1 394.570 3.090 20 0 GGADMN CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821611910 1449344732 /nfs/dbraw/zinc/34/47/32/1449344732.db2.gz AHABYKBKDPKZTK-UHFFFAOYSA-N 0 1 382.493 3.272 20 0 GGADMN Clc1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1-c1nnn[n-]1 ZINC000822574347 1449359765 /nfs/dbraw/zinc/35/97/65/1449359765.db2.gz RYRWTAVGHGAOHC-AWEZNQCLSA-N 0 1 375.908 3.008 20 0 GGADMN CCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736688410 1449374639 /nfs/dbraw/zinc/37/46/39/1449374639.db2.gz VSRJMJWOVUEFTR-QGZVFWFLSA-N 0 1 380.452 3.188 20 0 GGADMN Cc1cccc2c(NC[C@@H]3CCN(c4ccccc4)C3)c(-c3nnn[n-]3)c[nH+]c12 ZINC000737409554 1449386653 /nfs/dbraw/zinc/38/66/53/1449386653.db2.gz PGKCUQGERHAFFU-INIZCTEOSA-N 0 1 385.475 3.084 20 0 GGADMN CCOCCOCc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825599698 1449402735 /nfs/dbraw/zinc/40/27/35/1449402735.db2.gz PXLYVLFAVJPUEK-OAHLLOKOSA-N 0 1 399.470 3.410 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000826182632 1449406744 /nfs/dbraw/zinc/40/67/44/1449406744.db2.gz PNTCYABEHOJMBB-SXGZJXTBSA-N 0 1 379.464 3.226 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000826182632 1449406749 /nfs/dbraw/zinc/40/67/49/1449406749.db2.gz PNTCYABEHOJMBB-SXGZJXTBSA-N 0 1 379.464 3.226 20 0 GGADMN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825021251 1449409816 /nfs/dbraw/zinc/40/98/16/1449409816.db2.gz PKWHHPJUYNGYPC-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825021251 1449409818 /nfs/dbraw/zinc/40/98/18/1449409818.db2.gz PKWHHPJUYNGYPC-CVEARBPZSA-N 0 1 379.464 3.055 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C[C@@H]1CC=CCC1 ZINC000825914958 1449422037 /nfs/dbraw/zinc/42/20/37/1449422037.db2.gz QEGLHZWWMUSDDV-CYBMUJFWSA-N 0 1 386.525 3.034 20 0 GGADMN C[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C[C@@H]1CC=CCC1 ZINC000825914958 1449422039 /nfs/dbraw/zinc/42/20/39/1449422039.db2.gz QEGLHZWWMUSDDV-CYBMUJFWSA-N 0 1 386.525 3.034 20 0 GGADMN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C[C@@H]1CC=CCC1 ZINC000825914958 1449422041 /nfs/dbraw/zinc/42/20/41/1449422041.db2.gz QEGLHZWWMUSDDV-CYBMUJFWSA-N 0 1 386.525 3.034 20 0 GGADMN CC[N@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434614 1449423790 /nfs/dbraw/zinc/42/37/90/1449423790.db2.gz BHBYZRHDEFGWFP-ZDUSSCGKSA-N 0 1 383.427 3.376 20 0 GGADMN CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434614 1449423795 /nfs/dbraw/zinc/42/37/95/1449423795.db2.gz BHBYZRHDEFGWFP-ZDUSSCGKSA-N 0 1 383.427 3.376 20 0 GGADMN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825097773 1449440053 /nfs/dbraw/zinc/44/00/53/1449440053.db2.gz YXAATQHWNOOJJZ-CYBMUJFWSA-N 0 1 388.491 3.084 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000737291212 1449441103 /nfs/dbraw/zinc/44/11/03/1449441103.db2.gz JGQVTZCLPBCIKR-KRWDZBQOSA-N 0 1 397.527 3.151 20 0 GGADMN c1ccc(SC[C@H]2CC[N@H+](CCOc3ccccc3-c3nnn[n-]3)C2)cc1 ZINC000823792474 1449447868 /nfs/dbraw/zinc/44/78/68/1449447868.db2.gz UTSKDKBIEGOGKZ-INIZCTEOSA-N 0 1 381.505 3.360 20 0 GGADMN c1ccc(SC[C@H]2CC[N@@H+](CCOc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000823792474 1449447871 /nfs/dbraw/zinc/44/78/71/1449447871.db2.gz UTSKDKBIEGOGKZ-INIZCTEOSA-N 0 1 381.505 3.360 20 0 GGADMN c1ccc(SC[C@H]2CC[N@H+](CCOc3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000823792474 1449447874 /nfs/dbraw/zinc/44/78/74/1449447874.db2.gz UTSKDKBIEGOGKZ-INIZCTEOSA-N 0 1 381.505 3.360 20 0 GGADMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1OC ZINC000825140559 1449452368 /nfs/dbraw/zinc/45/23/68/1449452368.db2.gz KORYVXXRHPQULY-WFASDCNBSA-N 0 1 398.467 3.153 20 0 GGADMN O[C@H](C[NH+]1CCC(c2ccc(F)c(F)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823673089 1449453379 /nfs/dbraw/zinc/45/33/79/1449453379.db2.gz HVNFDYIUGPTORK-LJQANCHMSA-N 0 1 385.418 3.058 20 0 GGADMN c1ccc(C[N@@H+](CCOc2ccccc2-c2nnn[n-]2)CC2CCOCC2)cc1 ZINC000738433193 1449459243 /nfs/dbraw/zinc/45/92/43/1449459243.db2.gz QYWDHCZMZZHIIX-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(C[N@H+](CCOc2ccccc2-c2nn[n-]n2)CC2CCOCC2)cc1 ZINC000738433193 1449459247 /nfs/dbraw/zinc/45/92/47/1449459247.db2.gz QYWDHCZMZZHIIX-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN c1ccc(C[N@@H+](CCOc2ccccc2-c2nn[n-]n2)CC2CCOCC2)cc1 ZINC000738433193 1449459253 /nfs/dbraw/zinc/45/92/53/1449459253.db2.gz QYWDHCZMZZHIIX-UHFFFAOYSA-N 0 1 393.491 3.174 20 0 GGADMN COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826218730 1449465397 /nfs/dbraw/zinc/46/53/97/1449465397.db2.gz JQENDMNRFXKTNP-OXJNMPFZSA-N 0 1 392.507 3.363 20 0 GGADMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000819928755 1449476450 /nfs/dbraw/zinc/47/64/50/1449476450.db2.gz WMNJVXWZFKQHFF-HNNXBMFYSA-N 0 1 396.495 3.063 20 0 GGADMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000819928755 1449476455 /nfs/dbraw/zinc/47/64/55/1449476455.db2.gz WMNJVXWZFKQHFF-HNNXBMFYSA-N 0 1 396.495 3.063 20 0 GGADMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nn[n-]n2)C1 ZINC000819928755 1449476461 /nfs/dbraw/zinc/47/64/61/1449476461.db2.gz WMNJVXWZFKQHFF-HNNXBMFYSA-N 0 1 396.495 3.063 20 0 GGADMN Fc1cc(Br)ccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737645471 1449480386 /nfs/dbraw/zinc/48/03/86/1449480386.db2.gz ZNSBRQMUDDRNTG-UHFFFAOYSA-N 0 1 376.233 3.101 20 0 GGADMN CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000825060128 1449488845 /nfs/dbraw/zinc/48/88/45/1449488845.db2.gz NSFZOLIDSYPADS-RYUDHWBXSA-N 0 1 376.530 3.160 20 0 GGADMN FC(F)Oc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826370115 1449510136 /nfs/dbraw/zinc/51/01/36/1449510136.db2.gz DYYOYKVVRPQYGM-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN FC(F)Oc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826370115 1449510139 /nfs/dbraw/zinc/51/01/39/1449510139.db2.gz DYYOYKVVRPQYGM-QGZVFWFLSA-N 0 1 387.390 3.042 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCC[C@H]21 ZINC000824995394 1449513022 /nfs/dbraw/zinc/51/30/22/1449513022.db2.gz ZMMUHFKHVXGCKL-MDASCCDHSA-N 0 1 377.496 3.278 20 0 GGADMN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000824572183 1449514794 /nfs/dbraw/zinc/51/47/94/1449514794.db2.gz UDLFYMMGRJIESQ-QVKFZJNVSA-N 0 1 386.459 3.313 20 0 GGADMN c1c2ccccc2oc1CN1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823802405 1449529116 /nfs/dbraw/zinc/52/91/16/1449529116.db2.gz MEOFNDLXENODQI-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1c2ccccc2oc1C[N@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823802405 1449529120 /nfs/dbraw/zinc/52/91/20/1449529120.db2.gz MEOFNDLXENODQI-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1c2ccccc2oc1C[N@@H+]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823802405 1449529123 /nfs/dbraw/zinc/52/91/23/1449529123.db2.gz MEOFNDLXENODQI-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1c2ccccc2oc1CN1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823802405 1449529128 /nfs/dbraw/zinc/52/91/28/1449529128.db2.gz MEOFNDLXENODQI-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN c1c2ccccc2oc1CN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823802405 1449529130 /nfs/dbraw/zinc/52/91/30/1449529130.db2.gz MEOFNDLXENODQI-UHFFFAOYSA-N 0 1 388.475 3.321 20 0 GGADMN CC[NH+](CC)[C@@H](CNCc1ccc(-c2nnn[n-]2)cc1F)Cc1ccccc1 ZINC000821182800 1449529847 /nfs/dbraw/zinc/52/98/47/1449529847.db2.gz ZZCYDTPREGUGJS-LJQANCHMSA-N 0 1 382.487 3.049 20 0 GGADMN CCN(CC)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)Cc1ccccc1 ZINC000821182800 1449529851 /nfs/dbraw/zinc/52/98/51/1449529851.db2.gz ZZCYDTPREGUGJS-LJQANCHMSA-N 0 1 382.487 3.049 20 0 GGADMN COCCOc1ccc([C@H](C)[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826162500 1449532651 /nfs/dbraw/zinc/53/26/51/1449532651.db2.gz FCIKOYKYLVHKTR-HNNXBMFYSA-N 0 1 379.464 3.232 20 0 GGADMN Cc1cccc([C@H](C)[N@H+]2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822289310 1449558488 /nfs/dbraw/zinc/55/84/88/1449558488.db2.gz VTKFGPAYUHKKLV-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN Cc1cccc([C@H](C)[N@@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822289310 1449558492 /nfs/dbraw/zinc/55/84/92/1449558492.db2.gz VTKFGPAYUHKKLV-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN Cc1cccc([C@H](C)[N@H+]2CCCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822289310 1449558496 /nfs/dbraw/zinc/55/84/96/1449558496.db2.gz VTKFGPAYUHKKLV-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN Cc1cccc([C@H](C)N2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822289310 1449558499 /nfs/dbraw/zinc/55/84/99/1449558499.db2.gz VTKFGPAYUHKKLV-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN Cc1cccc([C@H](C)N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822289310 1449558501 /nfs/dbraw/zinc/55/85/01/1449558501.db2.gz VTKFGPAYUHKKLV-SFHVURJKSA-N 0 1 376.508 3.444 20 0 GGADMN CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736403915 1449570662 /nfs/dbraw/zinc/57/06/62/1449570662.db2.gz ZCTQUJWRPIJYFN-ZDUSSCGKSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736403915 1449570669 /nfs/dbraw/zinc/57/06/69/1449570669.db2.gz ZCTQUJWRPIJYFN-ZDUSSCGKSA-N 0 1 376.892 3.361 20 0 GGADMN CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736403915 1449570675 /nfs/dbraw/zinc/57/06/75/1449570675.db2.gz ZCTQUJWRPIJYFN-ZDUSSCGKSA-N 0 1 376.892 3.361 20 0 GGADMN c1ccc(-c2nnn[n-]2)c(COc2cccc(C[NH2+][C@@H]3CCCSC3)c2)c1 ZINC000823751469 1449578429 /nfs/dbraw/zinc/57/84/29/1449578429.db2.gz KFZZHIWAQNZVRX-QGZVFWFLSA-N 0 1 381.505 3.431 20 0 GGADMN Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351190 1449579961 /nfs/dbraw/zinc/57/99/61/1449579961.db2.gz LOXQMTJLMHPUKJ-OXJNMPFZSA-N 0 1 379.464 3.016 20 0 GGADMN Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2-c2nnn[n-]2)[C@@H](C)CO1 ZINC000822351190 1449579967 /nfs/dbraw/zinc/57/99/67/1449579967.db2.gz LOXQMTJLMHPUKJ-OXJNMPFZSA-N 0 1 379.464 3.016 20 0 GGADMN C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824547250 1449587127 /nfs/dbraw/zinc/58/71/27/1449587127.db2.gz NPEBBLHEINFZFR-HUUCEWRRSA-N 0 1 395.486 3.277 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822965064 1449604118 /nfs/dbraw/zinc/60/41/18/1449604118.db2.gz YVKIZDLBBKJCSN-LJQANCHMSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822965064 1449604122 /nfs/dbraw/zinc/60/41/22/1449604122.db2.gz YVKIZDLBBKJCSN-LJQANCHMSA-N 0 1 394.454 3.042 20 0 GGADMN O=C(CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822965064 1449604128 /nfs/dbraw/zinc/60/41/28/1449604128.db2.gz YVKIZDLBBKJCSN-LJQANCHMSA-N 0 1 394.454 3.042 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC=C(c2cnc3[nH]cccc2-3)CC1 ZINC000737652634 1449609761 /nfs/dbraw/zinc/60/97/61/1449609761.db2.gz VZPGXAHECNFUJF-UHFFFAOYSA-N 0 1 375.411 3.171 20 0 GGADMN Cc1cnc(CCN(C)c2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc32)s1 ZINC000826263907 1449614697 /nfs/dbraw/zinc/61/46/97/1449614697.db2.gz VPNDNNUQSDDDIS-UHFFFAOYSA-N 0 1 379.493 3.476 20 0 GGADMN C[C@@H]([NH2+]C(C)(C)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736126021 1449615040 /nfs/dbraw/zinc/61/50/40/1449615040.db2.gz LNJQIMOAOPYRHC-OMACXJQVSA-N 0 1 390.491 3.126 20 0 GGADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC000819933627 1449634981 /nfs/dbraw/zinc/63/49/81/1449634981.db2.gz XRAJAATWZSVUSD-AYHJJNSGSA-N 0 1 398.511 3.277 20 0 GGADMN Cc1nc2ccccc2n1CCNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(C)cc12 ZINC000737248919 1449636214 /nfs/dbraw/zinc/63/62/14/1449636214.db2.gz OUHZLQXKTDXGGZ-UHFFFAOYSA-N 0 1 398.474 3.224 20 0 GGADMN CC1(COC(=O)c2sccc2-c2nnn[n-]2)CC[NH+](Cc2ccccc2)CC1 ZINC000820623169 1449637941 /nfs/dbraw/zinc/63/79/41/1449637941.db2.gz HEQSZPLZUIACKW-UHFFFAOYSA-N 0 1 397.504 3.387 20 0 GGADMN c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520170 1449638029 /nfs/dbraw/zinc/63/80/29/1449638029.db2.gz BQVKINFEYUBYPB-UTKZUKDTSA-N 0 1 393.491 3.393 20 0 GGADMN C[C@@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824570256 1449638725 /nfs/dbraw/zinc/63/87/25/1449638725.db2.gz MOBMWMJAAGBUOV-QRWLVFNGSA-N 0 1 389.459 3.110 20 0 GGADMN CC(C)Oc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824324634 1449638900 /nfs/dbraw/zinc/63/89/00/1449638900.db2.gz SHAWVJUUTMPMSW-OAHLLOKOSA-N 0 1 394.479 3.333 20 0 GGADMN Cc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271010 1449640738 /nfs/dbraw/zinc/64/07/38/1449640738.db2.gz XXENFHROCABDDU-CQSZACIVSA-N 0 1 388.479 3.038 20 0 GGADMN Cc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271010 1449640745 /nfs/dbraw/zinc/64/07/45/1449640745.db2.gz XXENFHROCABDDU-CQSZACIVSA-N 0 1 388.479 3.038 20 0 GGADMN Cc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271010 1449640756 /nfs/dbraw/zinc/64/07/56/1449640756.db2.gz XXENFHROCABDDU-CQSZACIVSA-N 0 1 388.479 3.038 20 0 GGADMN COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1-c1nnn[n-]1 ZINC000826194519 1449642032 /nfs/dbraw/zinc/64/20/32/1449642032.db2.gz OBXSOWPZOHJFDK-AWEZNQCLSA-N 0 1 383.477 3.174 20 0 GGADMN C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)COC2 ZINC000820425866 1449655151 /nfs/dbraw/zinc/65/51/51/1449655151.db2.gz CCBCYUURTIAADC-CQSZACIVSA-N 0 1 381.505 3.481 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)C[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822557073 1449666358 /nfs/dbraw/zinc/66/63/58/1449666358.db2.gz GKLPXOVWKUQTNV-LBPRGKRZSA-N 0 1 384.509 3.219 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)C[C@H](C)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822557073 1449666364 /nfs/dbraw/zinc/66/63/64/1449666364.db2.gz GKLPXOVWKUQTNV-LBPRGKRZSA-N 0 1 384.509 3.219 20 0 GGADMN CCCO[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000825338706 1449671466 /nfs/dbraw/zinc/67/14/66/1449671466.db2.gz FPKHIBOMKNQGQS-HNNXBMFYSA-N 0 1 394.317 3.410 20 0 GGADMN Fc1ccc(CN2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)c(Cl)c1 ZINC000826374489 1449677622 /nfs/dbraw/zinc/67/76/22/1449677622.db2.gz ANBXNSWUOPJUQT-UHFFFAOYSA-N 0 1 392.891 3.039 20 0 GGADMN Cc1c(NC(=O)NCCCCCCC[NH+]2CCCC2)cccc1-c1nnn[n-]1 ZINC000822095267 1449689085 /nfs/dbraw/zinc/68/90/85/1449689085.db2.gz BYHQAOJXEHFPOJ-UHFFFAOYSA-N 0 1 385.516 3.343 20 0 GGADMN O[C@H](C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826502743 1449701564 /nfs/dbraw/zinc/70/15/64/1449701564.db2.gz JSOAUEOXBDZGLL-OAHLLOKOSA-N 0 1 390.274 3.486 20 0 GGADMN CC(C)(C)OC(=O)N[C@H]1CCC12CC[NH+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001139857972 1449704114 /nfs/dbraw/zinc/70/41/14/1449704114.db2.gz UNSPYNNMUCMGSC-KRWDZBQOSA-N 0 1 398.511 3.136 20 0 GGADMN C[C@H]1C[C@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824885933 1449713136 /nfs/dbraw/zinc/71/31/36/1449713136.db2.gz VFLXSQRKWBOWND-FUHWJXTLSA-N 0 1 393.491 3.350 20 0 GGADMN Cc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826287724 1449729709 /nfs/dbraw/zinc/72/97/09/1449729709.db2.gz AAGBFJZYDWUOSI-UHFFFAOYSA-N 0 1 379.493 3.269 20 0 GGADMN c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccc(-c4nnn[n-]4)c2)C3)cc1 ZINC001139852236 1449745884 /nfs/dbraw/zinc/74/58/84/1449745884.db2.gz XVJSKMUYOFQQEG-IFMALSPDSA-N 0 1 375.476 3.405 20 0 GGADMN C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824657564 1449748182 /nfs/dbraw/zinc/74/81/82/1449748182.db2.gz RGZMILFFMRKDCQ-DZGCQCFKSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824657564 1449748186 /nfs/dbraw/zinc/74/81/86/1449748186.db2.gz RGZMILFFMRKDCQ-DZGCQCFKSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824657564 1449748191 /nfs/dbraw/zinc/74/81/91/1449748191.db2.gz RGZMILFFMRKDCQ-DZGCQCFKSA-N 0 1 383.887 3.238 20 0 GGADMN C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824577710 1449758724 /nfs/dbraw/zinc/75/87/24/1449758724.db2.gz NKJLLAIFNKASDB-KSSFIOAISA-N 0 1 384.459 3.477 20 0 GGADMN CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736533595 1449768345 /nfs/dbraw/zinc/76/83/45/1449768345.db2.gz AHYMSGKCNUKVDQ-MRXNPFEDSA-N 0 1 384.528 3.336 20 0 GGADMN CC[N@H+](CCC(=O)NCC1CCCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736533595 1449768351 /nfs/dbraw/zinc/76/83/51/1449768351.db2.gz AHYMSGKCNUKVDQ-MRXNPFEDSA-N 0 1 384.528 3.336 20 0 GGADMN CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736533595 1449768355 /nfs/dbraw/zinc/76/83/55/1449768355.db2.gz AHYMSGKCNUKVDQ-MRXNPFEDSA-N 0 1 384.528 3.336 20 0 GGADMN C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000820426842 1449771452 /nfs/dbraw/zinc/77/14/52/1449771452.db2.gz OEYGEMIZUGSPBS-ZDUSSCGKSA-N 0 1 383.477 3.179 20 0 GGADMN C[C@H](c1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1)[NH+]1CCOCC1 ZINC000820562092 1449775318 /nfs/dbraw/zinc/77/53/18/1449775318.db2.gz DNHJQZSORXFURS-GFCCVEGCSA-N 0 1 385.859 3.052 20 0 GGADMN CCOCCOc1cc(C)ccc1CNc1[nH+]c(C)cc(C)c1-c1nnn[n-]1 ZINC000821383640 1449788652 /nfs/dbraw/zinc/78/86/52/1449788652.db2.gz GWVVSQPFJTUUJD-UHFFFAOYSA-N 0 1 382.468 3.214 20 0 GGADMN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000821650406 1449789005 /nfs/dbraw/zinc/78/90/05/1449789005.db2.gz RDWCPNWLSYVQFR-BEVDRBHNSA-N 0 1 391.475 3.034 20 0 GGADMN CC[N@@H+]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825453222 1449791962 /nfs/dbraw/zinc/79/19/62/1449791962.db2.gz UOVRLWIKWXSQBA-WMLDXEAASA-N 0 1 387.850 3.302 20 0 GGADMN CC[N@H+]1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000825453222 1449791967 /nfs/dbraw/zinc/79/19/67/1449791967.db2.gz UOVRLWIKWXSQBA-WMLDXEAASA-N 0 1 387.850 3.302 20 0 GGADMN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCOCC2)c1 ZINC000820413436 1449796648 /nfs/dbraw/zinc/79/66/48/1449796648.db2.gz PWYRTLOWYLBVMV-JKSUJKDBSA-N 0 1 378.480 3.115 20 0 GGADMN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000824046835 1449827098 /nfs/dbraw/zinc/82/70/98/1449827098.db2.gz VZEOSMHXFDLHMW-LLVKDONJSA-N 0 1 388.834 3.118 20 0 GGADMN C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824605511 1449837879 /nfs/dbraw/zinc/83/78/79/1449837879.db2.gz JAGWZTROQMJAGT-ZDUSSCGKSA-N 0 1 377.477 3.279 20 0 GGADMN C[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)cs1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820426571 1449844335 /nfs/dbraw/zinc/84/43/35/1449844335.db2.gz LUHHMIPSZHGRDX-OLZOCXBDSA-N 0 1 392.529 3.053 20 0 GGADMN Cc1cc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c2ccccc2[nH+]1 ZINC000826271116 1449849348 /nfs/dbraw/zinc/84/93/48/1449849348.db2.gz CUTJBAVIHKQJPH-UHFFFAOYSA-N 0 1 382.431 3.147 20 0 GGADMN Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000822192884 1449857258 /nfs/dbraw/zinc/85/72/58/1449857258.db2.gz DVXBTLLXPTXTOL-SJLPKXTDSA-N 0 1 377.496 3.344 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000822192884 1449857265 /nfs/dbraw/zinc/85/72/65/1449857265.db2.gz DVXBTLLXPTXTOL-SJLPKXTDSA-N 0 1 377.496 3.344 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000822192884 1449857273 /nfs/dbraw/zinc/85/72/73/1449857273.db2.gz DVXBTLLXPTXTOL-SJLPKXTDSA-N 0 1 377.496 3.344 20 0 GGADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820259952 1449875579 /nfs/dbraw/zinc/87/55/79/1449875579.db2.gz DOQSIHUEAQKEHN-OAHLLOKOSA-N 0 1 397.914 3.143 20 0 GGADMN c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)ncc1-c1nnn[n-]1 ZINC000823751955 1449879067 /nfs/dbraw/zinc/87/90/67/1449879067.db2.gz TUPVTKJVJSMXDX-TXPKVOOTSA-N 0 1 381.528 3.179 20 0 GGADMN C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824572048 1449879405 /nfs/dbraw/zinc/87/94/05/1449879405.db2.gz SJKCINAWFAGJRW-OAHLLOKOSA-N 0 1 394.498 3.493 20 0 GGADMN C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824598775 1449890042 /nfs/dbraw/zinc/89/00/42/1449890042.db2.gz ISFCHMJBARIOIQ-LLVKDONJSA-N 0 1 378.358 3.010 20 0 GGADMN COc1ccc(OC)c(CCC[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210765 1449891451 /nfs/dbraw/zinc/89/14/51/1449891451.db2.gz DFOMCRKDQGKDHN-CYBMUJFWSA-N 0 1 385.443 3.306 20 0 GGADMN Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000822145539 1449901512 /nfs/dbraw/zinc/90/15/12/1449901512.db2.gz RPJDFOWGAJEDGO-UHFFFAOYSA-N 0 1 394.479 3.039 20 0 GGADMN FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000822718504 1449922533 /nfs/dbraw/zinc/92/25/33/1449922533.db2.gz KNKMKSDCELBASK-CZUORRHYSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822718504 1449922538 /nfs/dbraw/zinc/92/25/38/1449922538.db2.gz KNKMKSDCELBASK-CZUORRHYSA-N 0 1 392.429 3.339 20 0 GGADMN FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000822718504 1449922543 /nfs/dbraw/zinc/92/25/43/1449922543.db2.gz KNKMKSDCELBASK-CZUORRHYSA-N 0 1 392.429 3.339 20 0 GGADMN CCC[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1 ZINC000821109473 1449924530 /nfs/dbraw/zinc/92/45/30/1449924530.db2.gz JVHSPXWGNMPODC-UHFFFAOYSA-N 0 1 375.436 3.329 20 0 GGADMN CCC[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1 ZINC000821109473 1449924533 /nfs/dbraw/zinc/92/45/33/1449924533.db2.gz JVHSPXWGNMPODC-UHFFFAOYSA-N 0 1 375.436 3.329 20 0 GGADMN CN(Cc1ccc(Br)o1)c1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825965879 1449947309 /nfs/dbraw/zinc/94/73/09/1449947309.db2.gz HEDLOLYIUDBPSF-UHFFFAOYSA-N 0 1 389.257 3.132 20 0 GGADMN C[C@@H]([NH2+]C1(CNC(=O)c2sccc2-c2nnn[n-]2)CCCC1)c1ccccc1 ZINC000736135477 1449977853 /nfs/dbraw/zinc/97/78/53/1449977853.db2.gz YLVBITVYJSBNLZ-CQSZACIVSA-N 0 1 396.520 3.322 20 0 GGADMN Clc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737564920 1449981748 /nfs/dbraw/zinc/98/17/48/1449981748.db2.gz LCDFHIMMBKNEML-MRXNPFEDSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737564920 1449981750 /nfs/dbraw/zinc/98/17/50/1449981750.db2.gz LCDFHIMMBKNEML-MRXNPFEDSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737564920 1449981754 /nfs/dbraw/zinc/98/17/54/1449981754.db2.gz LCDFHIMMBKNEML-MRXNPFEDSA-N 0 1 382.899 3.497 20 0 GGADMN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1CC2(CCCC2)CC1=O ZINC000820087453 1449987742 /nfs/dbraw/zinc/98/77/42/1449987742.db2.gz RZNJHDASDZVCTG-UHFFFAOYSA-N 0 1 382.512 3.075 20 0 GGADMN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1CC2(CCCC2)CC1=O ZINC000820087453 1449987744 /nfs/dbraw/zinc/98/77/44/1449987744.db2.gz RZNJHDASDZVCTG-UHFFFAOYSA-N 0 1 382.512 3.075 20 0 GGADMN CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820972194 1449996520 /nfs/dbraw/zinc/99/65/20/1449996520.db2.gz MAOVDQLMFVMBGF-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820972194 1449996525 /nfs/dbraw/zinc/99/65/25/1449996525.db2.gz MAOVDQLMFVMBGF-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820972194 1449996527 /nfs/dbraw/zinc/99/65/27/1449996527.db2.gz MAOVDQLMFVMBGF-OLZOCXBDSA-N 0 1 388.541 3.256 20 0 GGADMN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000826278376 1450014945 /nfs/dbraw/zinc/01/49/45/1450014945.db2.gz ZFMFAODFYYLHDA-UHFFFAOYSA-N 0 1 397.527 3.340 20 0 GGADMN C[C@H](CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)C[NH+]1CCCCC1 ZINC000824422431 1450019015 /nfs/dbraw/zinc/01/90/15/1450019015.db2.gz ZTKFTOBKNKNOIM-LLVKDONJSA-N 0 1 397.310 3.025 20 0 GGADMN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000820641872 1450028483 /nfs/dbraw/zinc/02/84/83/1450028483.db2.gz DWMWRSOHKJFLPZ-JXFKEZNVSA-N 0 1 390.491 3.254 20 0 GGADMN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000820641872 1450028487 /nfs/dbraw/zinc/02/84/87/1450028487.db2.gz DWMWRSOHKJFLPZ-JXFKEZNVSA-N 0 1 390.491 3.254 20 0 GGADMN CCCCn1nc(C)c(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1Cl ZINC000825301588 1450049474 /nfs/dbraw/zinc/04/94/74/1450049474.db2.gz NMBBZVPKRREQIP-UHFFFAOYSA-N 0 1 389.891 3.124 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822233003 1450050692 /nfs/dbraw/zinc/05/06/92/1450050692.db2.gz GELHBSOCIGMKFE-ACRUOGEOSA-N 0 1 377.492 3.477 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233003 1450050698 /nfs/dbraw/zinc/05/06/98/1450050698.db2.gz GELHBSOCIGMKFE-ACRUOGEOSA-N 0 1 377.492 3.477 20 0 GGADMN Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233003 1450050702 /nfs/dbraw/zinc/05/07/02/1450050702.db2.gz GELHBSOCIGMKFE-ACRUOGEOSA-N 0 1 377.492 3.477 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820561775 1450058595 /nfs/dbraw/zinc/05/85/95/1450058595.db2.gz AFYBDEJZKVPNPQ-HBIPHATFSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561775 1450058601 /nfs/dbraw/zinc/05/86/01/1450058601.db2.gz AFYBDEJZKVPNPQ-HBIPHATFSA-N 0 1 399.520 3.066 20 0 GGADMN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820561775 1450058606 /nfs/dbraw/zinc/05/86/06/1450058606.db2.gz AFYBDEJZKVPNPQ-HBIPHATFSA-N 0 1 399.520 3.066 20 0 GGADMN CC(C)[N@@H+](Cc1ccco1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824296699 1450062996 /nfs/dbraw/zinc/06/29/96/1450062996.db2.gz KJNPXRDJACNQPW-UHFFFAOYSA-N 0 1 377.452 3.271 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000823675511 1450063021 /nfs/dbraw/zinc/06/30/21/1450063021.db2.gz XATDRXWLWIARQF-AEFFLSMTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675511 1450063025 /nfs/dbraw/zinc/06/30/25/1450063025.db2.gz XATDRXWLWIARQF-AEFFLSMTSA-N 0 1 399.520 3.285 20 0 GGADMN O[C@@H](C[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000823675511 1450063029 /nfs/dbraw/zinc/06/30/29/1450063029.db2.gz XATDRXWLWIARQF-AEFFLSMTSA-N 0 1 399.520 3.285 20 0 GGADMN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000735559970 1450077359 /nfs/dbraw/zinc/07/73/59/1450077359.db2.gz BCEPAWYLLXELHB-WMZOPIPTSA-N 0 1 390.491 3.463 20 0 GGADMN FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000822723473 1450079730 /nfs/dbraw/zinc/07/97/30/1450079730.db2.gz GBCOJIGKBFJMKX-UHFFFAOYSA-N 0 1 381.406 3.099 20 0 GGADMN COc1ccc([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1Br ZINC000826189363 1450085890 /nfs/dbraw/zinc/08/58/90/1450085890.db2.gz UGGVGSDNTAIAJE-NSHDSACASA-N 0 1 388.269 3.489 20 0 GGADMN CC(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735597180 1450091070 /nfs/dbraw/zinc/09/10/70/1450091070.db2.gz NDEAXEWBGOAGKX-SJLPKXTDSA-N 0 1 382.512 3.120 20 0 GGADMN CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000824332904 1450116070 /nfs/dbraw/zinc/11/60/70/1450116070.db2.gz AJJLREIVYWEODW-DJJJIMSYSA-N 0 1 385.443 3.177 20 0 GGADMN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824599953 1450116141 /nfs/dbraw/zinc/11/61/41/1450116141.db2.gz UYPDYKITXGTCMP-IIBYNOLFSA-N 0 1 393.491 3.380 20 0 GGADMN C[C@H]1CN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)C[C@@H](c2ccsc2)O1 ZINC000820768860 1450121611 /nfs/dbraw/zinc/12/16/11/1450121611.db2.gz QJHBXXOWFQXKSI-SJCJKPOMSA-N 0 1 378.461 3.443 20 0 GGADMN CC[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(C)cc1 ZINC000821220970 1450121783 /nfs/dbraw/zinc/12/17/83/1450121783.db2.gz HCMGIJOZLDQKQR-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN CC[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(C)cc1 ZINC000821220970 1450121788 /nfs/dbraw/zinc/12/17/88/1450121788.db2.gz HCMGIJOZLDQKQR-UHFFFAOYSA-N 0 1 375.436 3.247 20 0 GGADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431561 1450122166 /nfs/dbraw/zinc/12/21/66/1450122166.db2.gz GSGMPTXRSKVDEN-CHWSQXEVSA-N 0 1 392.529 3.053 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N1CCO[C@@H](c2ccsc2)C1 ZINC000822334752 1450134724 /nfs/dbraw/zinc/13/47/24/1450134724.db2.gz GBXGOVKYDAIUQZ-MRXNPFEDSA-N 0 1 378.461 3.363 20 0 GGADMN Fc1ccc(-c2nnn[n-]2)cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000826373287 1450148457 /nfs/dbraw/zinc/14/84/57/1450148457.db2.gz HBIFUUKJAWCMFJ-IHWFROFDSA-N 0 1 392.482 3.291 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820758749 1450149681 /nfs/dbraw/zinc/14/96/81/1450149681.db2.gz CNCBAYZJCQCXRF-FOIQADDNSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820758749 1450149688 /nfs/dbraw/zinc/14/96/88/1450149688.db2.gz CNCBAYZJCQCXRF-FOIQADDNSA-N 0 1 380.471 3.006 20 0 GGADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820758749 1450149694 /nfs/dbraw/zinc/14/96/94/1450149694.db2.gz CNCBAYZJCQCXRF-FOIQADDNSA-N 0 1 380.471 3.006 20 0 GGADMN Clc1ccccc1OC[C@H]1CCC[N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826354041 1450152548 /nfs/dbraw/zinc/15/25/48/1450152548.db2.gz NVIXIXIQVUTXGI-HNNXBMFYSA-N 0 1 384.871 3.206 20 0 GGADMN Clc1ccccc1OC[C@H]1CCC[N@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826354041 1450152554 /nfs/dbraw/zinc/15/25/54/1450152554.db2.gz NVIXIXIQVUTXGI-HNNXBMFYSA-N 0 1 384.871 3.206 20 0 GGADMN Clc1ccccc1OC[C@H]1CCC[N@@H+](Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826354041 1450152555 /nfs/dbraw/zinc/15/25/55/1450152555.db2.gz NVIXIXIQVUTXGI-HNNXBMFYSA-N 0 1 384.871 3.206 20 0 GGADMN c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000738426570 1450162136 /nfs/dbraw/zinc/16/21/36/1450162136.db2.gz SFAPJQZPXPMFCB-UHFFFAOYSA-N 0 1 395.470 3.436 20 0 GGADMN COc1ccc2oc(C[N@@H+]3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826213729 1450173940 /nfs/dbraw/zinc/17/39/40/1450173940.db2.gz JVMJRJHTXUCQAQ-HXUWFJFHSA-N 0 1 391.431 3.195 20 0 GGADMN COc1ccc2oc(C[N@H+]3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)cc2c1 ZINC000826213729 1450173946 /nfs/dbraw/zinc/17/39/46/1450173946.db2.gz JVMJRJHTXUCQAQ-HXUWFJFHSA-N 0 1 391.431 3.195 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737419037 1450183176 /nfs/dbraw/zinc/18/31/76/1450183176.db2.gz BEMMOFGCKCDVOQ-CABCVRRESA-N 0 1 396.520 3.443 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737419037 1450183180 /nfs/dbraw/zinc/18/31/80/1450183180.db2.gz BEMMOFGCKCDVOQ-CABCVRRESA-N 0 1 396.520 3.443 20 0 GGADMN Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737419037 1450183184 /nfs/dbraw/zinc/18/31/84/1450183184.db2.gz BEMMOFGCKCDVOQ-CABCVRRESA-N 0 1 396.520 3.443 20 0 GGADMN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194545 1450188106 /nfs/dbraw/zinc/18/81/06/1450188106.db2.gz AJNJBXCQNSMZRD-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194545 1450188111 /nfs/dbraw/zinc/18/81/11/1450188111.db2.gz AJNJBXCQNSMZRD-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736194545 1450188117 /nfs/dbraw/zinc/18/81/17/1450188117.db2.gz AJNJBXCQNSMZRD-CABCVRRESA-N 0 1 386.500 3.164 20 0 GGADMN COc1ccc(CNc2cc(C)[nH+]c3c(OC)cccc23)cc1-c1nnn[n-]1 ZINC000826203214 1450188642 /nfs/dbraw/zinc/18/86/42/1450188642.db2.gz DRNOROSWOOEQLE-UHFFFAOYSA-N 0 1 376.420 3.353 20 0 GGADMN C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613642 1450189747 /nfs/dbraw/zinc/18/97/47/1450189747.db2.gz WMUKEYQXZOMLRT-OAHLLOKOSA-N 0 1 378.263 3.339 20 0 GGADMN C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821613642 1450189753 /nfs/dbraw/zinc/18/97/53/1450189753.db2.gz WMUKEYQXZOMLRT-OAHLLOKOSA-N 0 1 378.263 3.339 20 0 GGADMN CC1CC[NH+](CCc2cccc(NC(=O)c3sccc3-c3nnn[n-]3)c2)CC1 ZINC000824952770 1450199886 /nfs/dbraw/zinc/19/98/86/1450199886.db2.gz ASHGIUQVGJWFGY-UHFFFAOYSA-N 0 1 396.520 3.455 20 0 GGADMN Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822558361 1450200296 /nfs/dbraw/zinc/20/02/96/1450200296.db2.gz PBFGIDLLBQKHEH-MRXNPFEDSA-N 0 1 396.520 3.493 20 0 GGADMN Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000822558361 1450200300 /nfs/dbraw/zinc/20/03/00/1450200300.db2.gz PBFGIDLLBQKHEH-MRXNPFEDSA-N 0 1 396.520 3.493 20 0 GGADMN Clc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737564916 1450210927 /nfs/dbraw/zinc/21/09/27/1450210927.db2.gz LCDFHIMMBKNEML-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737564916 1450210933 /nfs/dbraw/zinc/21/09/33/1450210933.db2.gz LCDFHIMMBKNEML-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Clc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737564916 1450210937 /nfs/dbraw/zinc/21/09/37/1450210937.db2.gz LCDFHIMMBKNEML-INIZCTEOSA-N 0 1 382.899 3.497 20 0 GGADMN Cc1cc[nH+]c(N(C)CCCc2cc(-c3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826309453 1450212654 /nfs/dbraw/zinc/21/26/54/1450212654.db2.gz PJVZIJDHVKTHEZ-UHFFFAOYSA-N 0 1 375.436 3.294 20 0 GGADMN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000822731892 1450224407 /nfs/dbraw/zinc/22/44/07/1450224407.db2.gz DNAOXNKFOWGLJW-UHFFFAOYSA-N 0 1 393.438 3.392 20 0 GGADMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000826189710 1450227184 /nfs/dbraw/zinc/22/71/84/1450227184.db2.gz CAEGUZGVPUUZJE-SFHVURJKSA-N 0 1 395.463 3.230 20 0 GGADMN C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1cnn(Cc2ccccc2)c1 ZINC000824611600 1450233807 /nfs/dbraw/zinc/23/38/07/1450233807.db2.gz CCQQTHIDRPCUCQ-AWEZNQCLSA-N 0 1 377.427 3.101 20 0 GGADMN OC1(C[N@@H+](Cc2ccccc2)Cc2cccc(-c3nnn[n-]3)c2F)CCCC1 ZINC000826506029 1450239354 /nfs/dbraw/zinc/23/93/54/1450239354.db2.gz LFWOEGJCLFZRNW-UHFFFAOYSA-N 0 1 381.455 3.313 20 0 GGADMN O=C(C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826405158 1450250175 /nfs/dbraw/zinc/25/01/75/1450250175.db2.gz WYJHCLCHGUYQDQ-INIZCTEOSA-N 0 1 383.402 3.382 20 0 GGADMN C[C@H]1CC[N@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820722954 1450258013 /nfs/dbraw/zinc/25/80/13/1450258013.db2.gz SCGHXMRAEABAJA-MEDUHNTESA-N 0 1 386.456 3.089 20 0 GGADMN C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820722954 1450258016 /nfs/dbraw/zinc/25/80/16/1450258016.db2.gz SCGHXMRAEABAJA-MEDUHNTESA-N 0 1 386.456 3.089 20 0 GGADMN c1cc(COc2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516455 1450259293 /nfs/dbraw/zinc/25/92/93/1450259293.db2.gz LNOSIVKIFBKSNO-VQTJNVASSA-N 0 1 390.491 3.484 20 0 GGADMN c1cc(COc2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516455 1450259295 /nfs/dbraw/zinc/25/92/95/1450259295.db2.gz LNOSIVKIFBKSNO-VQTJNVASSA-N 0 1 390.491 3.484 20 0 GGADMN c1cc(COc2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516455 1450259297 /nfs/dbraw/zinc/25/92/97/1450259297.db2.gz LNOSIVKIFBKSNO-VQTJNVASSA-N 0 1 390.491 3.484 20 0 GGADMN CC(C)Oc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333208 1450266616 /nfs/dbraw/zinc/26/66/16/1450266616.db2.gz GONYLDUYWDYCNM-OAHLLOKOSA-N 0 1 394.479 3.333 20 0 GGADMN CO[C@@H](C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000821676943 1450281009 /nfs/dbraw/zinc/28/10/09/1450281009.db2.gz KFIGQTHZUDZBKY-FQEVSTJZSA-N 0 1 381.480 3.206 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826183371 1450294894 /nfs/dbraw/zinc/29/48/94/1450294894.db2.gz NNPZAELVYWKCKO-MOPGFXCFSA-N 0 1 397.454 3.103 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826183371 1450294897 /nfs/dbraw/zinc/29/48/97/1450294897.db2.gz NNPZAELVYWKCKO-MOPGFXCFSA-N 0 1 397.454 3.103 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000826183371 1450294902 /nfs/dbraw/zinc/29/49/02/1450294902.db2.gz NNPZAELVYWKCKO-MOPGFXCFSA-N 0 1 397.454 3.103 20 0 GGADMN Clc1ccccc1C[NH+]1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737583860 1450295403 /nfs/dbraw/zinc/29/54/03/1450295403.db2.gz MPUMABBXRIZRHG-UHFFFAOYSA-N 0 1 383.887 3.239 20 0 GGADMN CN(CCCOc1ccc(-c2nnn[n-]2)cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000825923871 1450308443 /nfs/dbraw/zinc/30/84/43/1450308443.db2.gz ZRODKNBPBHLRKC-UHFFFAOYSA-N 0 1 389.463 3.158 20 0 GGADMN C[N@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000825923871 1450308447 /nfs/dbraw/zinc/30/84/47/1450308447.db2.gz ZRODKNBPBHLRKC-UHFFFAOYSA-N 0 1 389.463 3.158 20 0 GGADMN C[N@@H+](CCCOc1ccc(-c2nnn[n-]2)cc1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000825923871 1450308453 /nfs/dbraw/zinc/30/84/53/1450308453.db2.gz ZRODKNBPBHLRKC-UHFFFAOYSA-N 0 1 389.463 3.158 20 0 GGADMN COc1cccc(C2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)CC2)c1 ZINC000826215448 1450324575 /nfs/dbraw/zinc/32/45/75/1450324575.db2.gz PBBYCRJRBCPGBU-UHFFFAOYSA-N 0 1 387.390 3.256 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737420056 1450349789 /nfs/dbraw/zinc/34/97/89/1450349789.db2.gz HCHLUCKDMKECSC-WMZOPIPTSA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737420056 1450349792 /nfs/dbraw/zinc/34/97/92/1450349792.db2.gz HCHLUCKDMKECSC-WMZOPIPTSA-N 0 1 390.491 3.382 20 0 GGADMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737420056 1450349796 /nfs/dbraw/zinc/34/97/96/1450349796.db2.gz HCHLUCKDMKECSC-WMZOPIPTSA-N 0 1 390.491 3.382 20 0 GGADMN Fc1cccc(Cl)c1[C@H](CNc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCC1 ZINC000822787290 1450359018 /nfs/dbraw/zinc/35/90/18/1450359018.db2.gz XFVAGCPGLOEQPM-INIZCTEOSA-N 0 1 387.850 3.303 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCCN(CCOC2CCCCCC2)CC1 ZINC000738405424 1450363845 /nfs/dbraw/zinc/36/38/45/1450363845.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC[N@@H+](CCOC2CCCCCC2)CC1 ZINC000738405424 1450363846 /nfs/dbraw/zinc/36/38/46/1450363846.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN c1cc(-c2nnn[n-]2)ccc1CN1CCC[N@H+](CCOC2CCCCCC2)CC1 ZINC000738405424 1450363849 /nfs/dbraw/zinc/36/38/49/1450363849.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCCN(CCOC2CCCCCC2)CC1 ZINC000738405424 1450363853 /nfs/dbraw/zinc/36/38/53/1450363853.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCCN(CCOC2CCCCCC2)CC1 ZINC000738405424 1450363856 /nfs/dbraw/zinc/36/38/56/1450363856.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1CN1CCC[N@@H+](CCOC2CCCCCC2)CC1 ZINC000738405424 1450363860 /nfs/dbraw/zinc/36/38/60/1450363860.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN c1cc(-c2nn[n-]n2)ccc1CN1CCC[N@H+](CCOC2CCCCCC2)CC1 ZINC000738405424 1450363863 /nfs/dbraw/zinc/36/38/63/1450363863.db2.gz PCQJTVYWONZTDK-UHFFFAOYSA-N 0 1 398.555 3.114 20 0 GGADMN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000736478721 1450370665 /nfs/dbraw/zinc/37/06/65/1450370665.db2.gz BAIYZJTTXRFVPG-AWEZNQCLSA-N 0 1 390.451 3.285 20 0 GGADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000736478721 1450370672 /nfs/dbraw/zinc/37/06/72/1450370672.db2.gz BAIYZJTTXRFVPG-AWEZNQCLSA-N 0 1 390.451 3.285 20 0 GGADMN Cc1oc(NC(=O)CN(Cc2cccc(F)c2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822549366 1450377675 /nfs/dbraw/zinc/37/76/75/1450377675.db2.gz XPAQDWOPSYLONY-UHFFFAOYSA-N 0 1 386.431 3.065 20 0 GGADMN Cc1oc(NC(=O)C[N@H+](Cc2cccc(F)c2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822549366 1450377677 /nfs/dbraw/zinc/37/76/77/1450377677.db2.gz XPAQDWOPSYLONY-UHFFFAOYSA-N 0 1 386.431 3.065 20 0 GGADMN Cc1oc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822549366 1450377681 /nfs/dbraw/zinc/37/76/81/1450377681.db2.gz XPAQDWOPSYLONY-UHFFFAOYSA-N 0 1 386.431 3.065 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC000823673315 1450387621 /nfs/dbraw/zinc/38/76/21/1450387621.db2.gz KQUUSCATGXJKHX-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673315 1450387624 /nfs/dbraw/zinc/38/76/24/1450387624.db2.gz KQUUSCATGXJKHX-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC000823673315 1450387627 /nfs/dbraw/zinc/38/76/27/1450387627.db2.gz KQUUSCATGXJKHX-SJLPKXTDSA-N 0 1 385.443 3.467 20 0 GGADMN COc1ccc(OC)c([C@H](C)[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000821841307 1450391319 /nfs/dbraw/zinc/39/13/19/1450391319.db2.gz HCIWYAYMLAESCY-AWEZNQCLSA-N 0 1 399.520 3.468 20 0 GGADMN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000826181675 1450393351 /nfs/dbraw/zinc/39/33/51/1450393351.db2.gz JWOBVETZJQLAOC-WIYYLYMNSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000826181675 1450393358 /nfs/dbraw/zinc/39/33/58/1450393358.db2.gz JWOBVETZJQLAOC-WIYYLYMNSA-N 0 1 393.491 3.475 20 0 GGADMN COc1ccc(-c2nn[n-]n2)cc1C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000826181675 1450393363 /nfs/dbraw/zinc/39/33/63/1450393363.db2.gz JWOBVETZJQLAOC-WIYYLYMNSA-N 0 1 393.491 3.475 20 0 GGADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[NH+](C)C ZINC000820893537 1450393417 /nfs/dbraw/zinc/39/34/17/1450393417.db2.gz QHLALPCZAUYEFX-HNNXBMFYSA-N 0 1 379.896 3.008 20 0 GGADMN CCS[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825668982 1450407246 /nfs/dbraw/zinc/40/72/46/1450407246.db2.gz NRXIBUCMFUTOGT-ZWKOTPCHSA-N 0 1 397.552 3.421 20 0 GGADMN Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000737245393 1450420027 /nfs/dbraw/zinc/42/00/27/1450420027.db2.gz OANANMDLFMXEDN-AWEZNQCLSA-N 0 1 399.449 3.040 20 0 GGADMN C[C@@H]1C[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000820666213 1450428554 /nfs/dbraw/zinc/42/85/54/1450428554.db2.gz HFIJUFIDYSFTOE-CRAIPNDOSA-N 0 1 389.507 3.215 20 0 GGADMN C[C@@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000820666213 1450428557 /nfs/dbraw/zinc/42/85/57/1450428557.db2.gz HFIJUFIDYSFTOE-CRAIPNDOSA-N 0 1 389.507 3.215 20 0 GGADMN C[C@@H]1C[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000820666213 1450428559 /nfs/dbraw/zinc/42/85/59/1450428559.db2.gz HFIJUFIDYSFTOE-CRAIPNDOSA-N 0 1 389.507 3.215 20 0 GGADMN Cc1cccc2c1[nH+]cc(-c1nnn[n-]1)c2N(C)CCCNC(=O)OC(C)(C)C ZINC000822332273 1450435614 /nfs/dbraw/zinc/43/56/14/1450435614.db2.gz MFFLGWSRYHEQBJ-UHFFFAOYSA-N 0 1 397.483 3.074 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826219688 1450454229 /nfs/dbraw/zinc/45/42/29/1450454229.db2.gz MNEDBRFXXXNRBK-KRWDZBQOSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826219688 1450454231 /nfs/dbraw/zinc/45/42/31/1450454231.db2.gz MNEDBRFXXXNRBK-KRWDZBQOSA-N 0 1 379.464 3.091 20 0 GGADMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826219688 1450454233 /nfs/dbraw/zinc/45/42/33/1450454233.db2.gz MNEDBRFXXXNRBK-KRWDZBQOSA-N 0 1 379.464 3.091 20 0 GGADMN O=C(C=Cc1ccccc1-c1nn[n-]n1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000737802518 1450459212 /nfs/dbraw/zinc/45/92/12/1450459212.db2.gz XFEYYHSEFLZISX-OUKQBFOZSA-N 0 1 388.475 3.009 20 0 GGADMN CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825391084 1450484495 /nfs/dbraw/zinc/48/44/95/1450484495.db2.gz UOQDZLYNEJGRBS-OAHLLOKOSA-N 0 1 378.480 3.053 20 0 GGADMN CCOC1CC[NH+](Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000825583209 1450487094 /nfs/dbraw/zinc/48/70/94/1450487094.db2.gz SBSWUEMVHPIVJG-UHFFFAOYSA-N 0 1 393.491 3.447 20 0 GGADMN CCC[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@H](C)c1ccccc1OC ZINC000825323011 1450494551 /nfs/dbraw/zinc/49/45/51/1450494551.db2.gz NAUXWAZCSMHPEH-OAHLLOKOSA-N 0 1 391.479 3.496 20 0 GGADMN CN1CCN(c2cccc(N3CCC4(CC(=O)c5ccc(F)cc54)CC3)n2)CC1 ZINC001164424028 718937460 /nfs/dbraw/zinc/93/74/60/718937460.db2.gz MYBSJEXWCGGHGX-UHFFFAOYSA-N 0 1 394.494 3.097 20 0 GGADMN C[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@@H](C)CN1C ZINC001164634942 719167228 /nfs/dbraw/zinc/16/72/28/719167228.db2.gz KKNBWIWYCNJTIA-CVEARBPZSA-N 0 1 385.943 3.217 20 0 GGADMN CC(C)(c1ccnc(Cl)c1)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164646002 719305839 /nfs/dbraw/zinc/30/58/39/719305839.db2.gz ATGGPPPHIKDICC-QOKNQOGYSA-N 0 1 377.916 3.072 20 0 GGADMN CC(C)CN1CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164657441 719339732 /nfs/dbraw/zinc/33/97/32/719339732.db2.gz MDCITNZUXVMQJI-UHFFFAOYSA-N 0 1 376.835 3.150 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)C[C@@H]21 ZINC001164668818 719392157 /nfs/dbraw/zinc/39/21/57/719392157.db2.gz SDKZLZHBDYLYOG-RBUKOAKNSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164667606 719402229 /nfs/dbraw/zinc/40/22/29/719402229.db2.gz ODIQBNNSXNPAJB-RTBURBONSA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164667604 719402823 /nfs/dbraw/zinc/40/28/23/719402823.db2.gz ODIQBNNSXNPAJB-OALUTQOASA-N 0 1 380.879 3.469 20 0 GGADMN CN1CCO[C@@H]2CN(c3nnc(-c4ccc(F)c(F)c4)c4ccccc43)C[C@H]21 ZINC001164674836 719437820 /nfs/dbraw/zinc/43/78/20/719437820.db2.gz XPYTZCBQNFOHIB-RTBURBONSA-N 0 1 382.414 3.094 20 0 GGADMN COc1ccc2c(c1)nc(N1C[C@H]3OCCN(C)[C@H]3C1)cc2-c1ccccc1 ZINC001164667087 719441426 /nfs/dbraw/zinc/44/14/26/719441426.db2.gz FJGUZVKDPWTBRS-FCHUYYIVSA-N 0 1 375.472 3.430 20 0 GGADMN CN1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164673784 719442728 /nfs/dbraw/zinc/44/27/28/719442728.db2.gz ULMKGKGLIVVOAY-ZIAGYGMSSA-N 0 1 398.557 3.428 20 0 GGADMN CN1CCO[C@@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)C[C@H]21 ZINC001164666251 719469338 /nfs/dbraw/zinc/46/93/38/719469338.db2.gz CNLJZHCCPULMIO-FGZHOGPDSA-N 0 1 388.471 3.455 20 0 GGADMN CN1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C[C@@H]21 ZINC001164669805 719480288 /nfs/dbraw/zinc/48/02/88/719480288.db2.gz VUFFSVUJQWKKFD-GJZGRUSLSA-N 0 1 381.263 3.095 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2ncc4c(n2)CCCN4)CC3)cs1 ZINC001164694055 719808438 /nfs/dbraw/zinc/80/84/38/719808438.db2.gz UKARVUYKDCKESK-UHFFFAOYSA-N 0 1 384.553 3.235 20 0 GGADMN Cc1nc(CN2CCCC23CCN(c2nnc4ccccc4n2)CC3)cs1 ZINC001164692149 719814807 /nfs/dbraw/zinc/81/48/07/719814807.db2.gz MJGJZMQLEDBTED-UHFFFAOYSA-N 0 1 380.521 3.425 20 0 GGADMN COc1cc(OC)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164696060 719891809 /nfs/dbraw/zinc/89/18/09/719891809.db2.gz VREMZNJUHMNMPO-UHFFFAOYSA-N 0 1 389.521 3.032 20 0 GGADMN Cc1cnc(Cl)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164696218 719893618 /nfs/dbraw/zinc/89/36/18/719893618.db2.gz CJZLUIXWSLDJKT-UHFFFAOYSA-N 0 1 378.929 3.371 20 0 GGADMN CSc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164698969 719894613 /nfs/dbraw/zinc/89/46/13/719894613.db2.gz UXYUZBFTFQRPQE-UHFFFAOYSA-N 0 1 376.551 3.131 20 0 GGADMN Cc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)CCC2 ZINC001164696245 719896492 /nfs/dbraw/zinc/89/64/92/719896492.db2.gz DSWFLVPKDODLNM-UHFFFAOYSA-N 0 1 384.549 3.207 20 0 GGADMN Nc1cc(Cl)ncc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698386 719896964 /nfs/dbraw/zinc/89/69/64/719896964.db2.gz SBOXJIQZFYBXTH-UHFFFAOYSA-N 0 1 378.929 3.250 20 0 GGADMN c1csc(CN2CCOC3(CCN(c4cc(-c5nnco5)ccn4)CC3)C2)c1 ZINC001164706293 719899149 /nfs/dbraw/zinc/89/91/49/719899149.db2.gz HEEHWXFZAIODSH-UHFFFAOYSA-N 0 1 397.504 3.065 20 0 GGADMN CCO[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164715100 720059159 /nfs/dbraw/zinc/05/91/59/720059159.db2.gz RRDFRKUMDRQJHZ-CQOQZXRMSA-N 0 1 393.531 3.413 20 0 GGADMN CCOC(=O)c1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)ncc1Cl ZINC001164725978 720339308 /nfs/dbraw/zinc/33/93/08/720339308.db2.gz PCTAGPBFSNLPKN-ROUUACIJSA-N 0 1 386.883 3.160 20 0 GGADMN CCOC(=O)c1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ncc1Cl ZINC001164725975 720339462 /nfs/dbraw/zinc/33/94/62/720339462.db2.gz PCTAGPBFSNLPKN-QZTJIDSGSA-N 0 1 386.883 3.160 20 0 GGADMN CC1(C)OCc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164722672 720360302 /nfs/dbraw/zinc/36/03/02/720360302.db2.gz GHQRVYSQQZGCOJ-CVEARBPZSA-N 0 1 385.899 3.144 20 0 GGADMN CC1(C)OCc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722675 720360590 /nfs/dbraw/zinc/36/05/90/720360590.db2.gz GHQRVYSQQZGCOJ-JKSUJKDBSA-N 0 1 385.899 3.144 20 0 GGADMN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728587 720420659 /nfs/dbraw/zinc/42/06/59/720420659.db2.gz FSRCADSLIYYHEL-QWHCGFSZSA-N 0 1 397.882 3.212 20 0 GGADMN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2cncc(OCC3CCCC3)n2)c1 ZINC001164730274 720475040 /nfs/dbraw/zinc/47/50/40/720475040.db2.gz UBRAYIVVNMMQOE-VQTJNVASSA-N 0 1 379.508 3.294 20 0 GGADMN Fc1cnc(Cl)cc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164727318 720562640 /nfs/dbraw/zinc/56/26/40/720562640.db2.gz DPEGBHDXXPXAGT-UHFFFAOYSA-N 0 1 399.848 3.274 20 0 GGADMN Cc1cccc2nc(Cl)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164736271 720573664 /nfs/dbraw/zinc/57/36/64/720573664.db2.gz GCIFXQSHECLAJS-UHFFFAOYSA-N 0 1 396.926 3.447 20 0 GGADMN Cc1cccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)c1 ZINC001164736359 720583566 /nfs/dbraw/zinc/58/35/66/720583566.db2.gz KKWXKSIDMVXKFW-UHFFFAOYSA-N 0 1 388.519 3.307 20 0 GGADMN Fc1ccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)cc1 ZINC001164736703 720585564 /nfs/dbraw/zinc/58/55/64/720585564.db2.gz RDZCYEALGMMQSS-UHFFFAOYSA-N 0 1 392.482 3.138 20 0 GGADMN Cc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc(-c2cccs2)n1 ZINC001164736693 720585784 /nfs/dbraw/zinc/58/57/84/720585784.db2.gz QXLVZNDPAOQRSN-UHFFFAOYSA-N 0 1 394.548 3.369 20 0 GGADMN COc1cccc2c1ccnc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736945 720586367 /nfs/dbraw/zinc/58/63/67/720586367.db2.gz WLUCRFYAWJEHRD-UHFFFAOYSA-N 0 1 377.492 3.098 20 0 GGADMN Fc1ccccc1-c1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nn1 ZINC001164736612 720586940 /nfs/dbraw/zinc/58/69/40/720586940.db2.gz OXXMGOBZKYRKPD-UHFFFAOYSA-N 0 1 392.482 3.138 20 0 GGADMN Cc1c(Cl)nc(C(C)C)nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736322 720590284 /nfs/dbraw/zinc/59/02/84/720590284.db2.gz IJUJQOGXMXLIEK-UHFFFAOYSA-N 0 1 388.947 3.417 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(N3CCCCC3)nn1)[C@H]2C ZINC001164862908 720919449 /nfs/dbraw/zinc/91/94/49/720919449.db2.gz WOJHUZOXSKRIME-KRWDZBQOSA-N 0 1 383.544 3.085 20 0 GGADMN CSc1nc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164857535 720921831 /nfs/dbraw/zinc/92/18/31/720921831.db2.gz LNEZQEYQNLWOIC-GFCCVEGCSA-N 0 1 380.949 3.470 20 0 GGADMN COC(=O)c1cc(Cl)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164853426 720927442 /nfs/dbraw/zinc/92/74/42/720927442.db2.gz AJVRZPHFYIAGQS-CYBMUJFWSA-N 0 1 391.903 3.140 20 0 GGADMN CCOC(=O)/C=C\c1cccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164861284 720927517 /nfs/dbraw/zinc/92/75/17/720927517.db2.gz SVFHIUKAXRVCST-DOOKAGJSSA-N 0 1 397.523 3.276 20 0 GGADMN CCOC(=O)/C=C/c1cccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164861312 720927675 /nfs/dbraw/zinc/92/76/75/720927675.db2.gz SVFHIUKAXRVCST-OAGJVSPASA-N 0 1 397.523 3.276 20 0 GGADMN COC(=O)c1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ncc1Cl ZINC001164859903 720929202 /nfs/dbraw/zinc/92/92/02/720929202.db2.gz QJXJFVOWUYVRBL-ZDUSSCGKSA-N 0 1 391.903 3.140 20 0 GGADMN COC(=O)c1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)ncc1Cl ZINC001164859895 720930623 /nfs/dbraw/zinc/93/06/23/720930623.db2.gz QJXJFVOWUYVRBL-CYBMUJFWSA-N 0 1 391.903 3.140 20 0 GGADMN CCOC(=O)c1cc(C)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862560 720935966 /nfs/dbraw/zinc/93/59/66/720935966.db2.gz WCXJRXUBPDDXFU-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)nc1)[C@H]2C ZINC001164856971 720937609 /nfs/dbraw/zinc/93/76/09/720937609.db2.gz DEZPJQABMKXNIA-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN COc1nc2ccccc2nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164857787 720938214 /nfs/dbraw/zinc/93/82/14/720938214.db2.gz HGKJGKAFCBPCHP-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN([C@@H](F)Oc1ccnc(Cl)c1)[C@@H]2C ZINC001164859155 720944006 /nfs/dbraw/zinc/94/40/06/720944006.db2.gz KQYVBGSMIRNAMG-FZKQIMNGSA-N 0 1 381.883 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cnccc31)[C@@H]2C ZINC001164859872 720946261 /nfs/dbraw/zinc/94/62/61/720946261.db2.gz OCDJEHBLHWYRKK-CYBMUJFWSA-N 0 1 385.903 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1SCC3)[C@@H]2C ZINC001164857685 720948615 /nfs/dbraw/zinc/94/86/15/720948615.db2.gz GZDVWJCNDJHLRJ-GFCCVEGCSA-N 0 1 392.960 3.396 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1ccn3C)[C@H]2C ZINC001164860447 720948917 /nfs/dbraw/zinc/94/89/17/720948917.db2.gz PTFQEDCQVBCBBI-ZDUSSCGKSA-N 0 1 387.919 3.240 20 0 GGADMN COc1ccc2c(c1)ncnc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164860019 720959592 /nfs/dbraw/zinc/95/95/92/720959592.db2.gz PDTSUFVVQNDJIC-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CCOC(=O)c1cc(C)cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164863199 720963336 /nfs/dbraw/zinc/96/33/36/720963336.db2.gz YPIZHGOCJPFAIJ-MRXNPFEDSA-N 0 1 385.512 3.185 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1N)[C@H]2C ZINC001164859902 720967395 /nfs/dbraw/zinc/96/73/95/720967395.db2.gz ODNNJOZLDPRTSS-LBPRGKRZSA-N 0 1 398.889 3.480 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc(-c3cccnc3F)n1)[C@H]2C ZINC001164856319 720983898 /nfs/dbraw/zinc/98/38/98/720983898.db2.gz BJNNVMSNRJKSTA-HNNXBMFYSA-N 0 1 395.486 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cncc(Cl)n1)[C@H]2C ZINC001164860583 720987569 /nfs/dbraw/zinc/98/75/69/720987569.db2.gz OVTPSBDNKHBNLP-LBPRGKRZSA-N 0 1 384.862 3.293 20 0 GGADMN COc1cccc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c21 ZINC001164860652 721005101 /nfs/dbraw/zinc/00/51/01/721005101.db2.gz PIEFJSHYHBQXIM-OAHLLOKOSA-N 0 1 380.496 3.256 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc(-c3cccc(F)c3)n1)[C@@H]2C ZINC001164856696 721008507 /nfs/dbraw/zinc/00/85/07/721008507.db2.gz BJHHNNXSYMCZRP-OAHLLOKOSA-N 0 1 395.486 3.296 20 0 GGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccnc(-c3nccs3)n1)[C@H]2C ZINC001164858860 721022419 /nfs/dbraw/zinc/02/24/19/721022419.db2.gz IAVAFRZEKOKQPK-AWEZNQCLSA-N 0 1 383.525 3.218 20 0 GGADMN FC(F)(c1ccc(Cl)nc1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866846 721039995 /nfs/dbraw/zinc/03/99/95/721039995.db2.gz GHIMGDNMKCIXGA-DLBZAZTESA-N 0 1 394.853 3.155 20 0 GGADMN FC(F)(c1cccnc1Cl)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869131 721046625 /nfs/dbraw/zinc/04/66/25/721046625.db2.gz RRLBCVUIJWBVQI-JKSUJKDBSA-N 0 1 394.853 3.155 20 0 GGADMN Clc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164868435 721048150 /nfs/dbraw/zinc/04/81/50/721048150.db2.gz OKHIFPYDXKOFSG-HZPDHXFCSA-N 0 1 379.291 3.263 20 0 GGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4F)C[C@@H]3C2)cn1 ZINC001164768229 721078680 /nfs/dbraw/zinc/07/86/80/721078680.db2.gz MOWGCPFPHAUJRM-KBPBESRZSA-N 0 1 399.848 3.111 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc(F)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164767528 721085459 /nfs/dbraw/zinc/08/54/59/721085459.db2.gz MCWWBWOLUSTVRE-ZIAGYGMSSA-N 0 1 399.848 3.111 20 0 GGADMN Cc1ccc2nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164765578 721119344 /nfs/dbraw/zinc/11/93/44/721119344.db2.gz JIUMMBLGWSTNCD-IRXDYDNUSA-N 0 1 396.926 3.283 20 0 GGADMN Cc1cc(Cl)ncc1C(F)(F)N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772278 721136851 /nfs/dbraw/zinc/13/68/51/721136851.db2.gz VDXBQQJJOOTHJH-CVEARBPZSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164769959 721153049 /nfs/dbraw/zinc/15/30/49/721153049.db2.gz QQTARBMDZPSEFF-JKSUJKDBSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768199 721159884 /nfs/dbraw/zinc/15/98/84/721159884.db2.gz NQPGAMNVPGWAHI-JKSUJKDBSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768192 721160458 /nfs/dbraw/zinc/16/04/58/721160458.db2.gz NQPGAMNVPGWAHI-CVEARBPZSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164768196 721161084 /nfs/dbraw/zinc/16/10/84/721161084.db2.gz NQPGAMNVPGWAHI-HZPDHXFCSA-N 0 1 395.885 3.280 20 0 GGADMN Cc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164771871 721180234 /nfs/dbraw/zinc/18/02/34/721180234.db2.gz RNOKENQUOPXGLA-GJZGRUSLSA-N 0 1 380.323 3.389 20 0 GGADMN Cn1cc(CN2CC[C@@H]3CN(c4ncc(F)c(-c5ccsc5)n4)C[C@H]3C2)cn1 ZINC001164767121 721238693 /nfs/dbraw/zinc/23/86/93/721238693.db2.gz VTFRRHASNFJVRC-NVXWUHKLSA-N 0 1 398.511 3.036 20 0 GGADMN CCc1nc(Cl)nc(Cl)c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164760154 721240511 /nfs/dbraw/zinc/24/05/11/721240511.db2.gz CPYVEHBGZLFGSX-KBPBESRZSA-N 0 1 395.338 3.038 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C)c(F)cn3)C2)C1 ZINC001164778181 721340350 /nfs/dbraw/zinc/34/03/50/721340350.db2.gz KAQRXCZURLTHEI-OAQYLSRUSA-N 0 1 388.487 3.253 20 0 GGADMN CCc1cc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164780862 721359565 /nfs/dbraw/zinc/35/95/65/721359565.db2.gz IHUSXHRWCNBYIB-JOCHJYFZSA-N 0 1 399.539 3.071 20 0 GGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C)nc(C)c3C)C2)C1 ZINC001164780056 721369977 /nfs/dbraw/zinc/36/99/77/721369977.db2.gz CUJJQRXWQOFPLM-JOCHJYFZSA-N 0 1 399.539 3.126 20 0 GGADMN Cc1cccc2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc12 ZINC001164885007 721379987 /nfs/dbraw/zinc/37/99/87/721379987.db2.gz BMMMBKWDBJODRP-XUZZJYLKSA-N 0 1 394.563 3.309 20 0 GGADMN Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)ccc2c1 ZINC001164889284 721380947 /nfs/dbraw/zinc/38/09/47/721380947.db2.gz LLKZZTCEWSIEBM-ZJSXRUAMSA-N 0 1 394.563 3.309 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893610 721382744 /nfs/dbraw/zinc/38/27/44/721382744.db2.gz WCRASHFSXBSPJH-APWZRJJASA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ccsc54)C3)O2)CC1 ZINC001164888302 721399922 /nfs/dbraw/zinc/39/99/22/721399922.db2.gz NZDJKKLVFDZFQJ-GHTZIAJQSA-N 0 1 386.565 3.062 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccsc54)C3)O2)CC1 ZINC001164888306 721400378 /nfs/dbraw/zinc/40/03/78/721400378.db2.gz NZDJKKLVFDZFQJ-RXVVDRJESA-N 0 1 386.565 3.062 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4Cl)C3)O2)CC1 ZINC001164891416 721402311 /nfs/dbraw/zinc/40/23/11/721402311.db2.gz WAOFZFJCSNLWED-BEFAXECRSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164884543 721404805 /nfs/dbraw/zinc/40/48/05/721404805.db2.gz DTFLPJBHPXMDFQ-REWPJTCUSA-N 0 1 398.526 3.139 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ccnc4Cl)C3)O2)CC1 ZINC001164890071 721408126 /nfs/dbraw/zinc/40/81/26/721408126.db2.gz SCJSAYWCWSXCQR-BEFAXECRSA-N 0 1 399.366 3.154 20 0 GGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5c(F)cccc54)C3)O2)CC1 ZINC001164891051 721417073 /nfs/dbraw/zinc/41/70/73/721417073.db2.gz VBXSPBSRQFCTHL-JPYJTQIMSA-N 0 1 398.526 3.139 20 0 GGADMN Cc1cc(Cl)c(C)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892563 721422913 /nfs/dbraw/zinc/42/29/13/721422913.db2.gz YTBWQQMSMCZFTP-WIYYLYMNSA-N 0 1 392.975 3.117 20 0 GGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5ccc(F)cc5cn4)C3)O2)CC1 ZINC001164899875 721438788 /nfs/dbraw/zinc/43/87/88/721438788.db2.gz ZLEBXIHXNRGXBU-JTHBVZDNSA-N 0 1 398.526 3.139 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)ncn4)CCN3C2)c1 ZINC001164898032 721507727 /nfs/dbraw/zinc/50/77/27/721507727.db2.gz HBTGIZCAMXXKAE-UKRRQHHQSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccnc(Cl)n4)CCN3C2)c1 ZINC001164897023 721507871 /nfs/dbraw/zinc/50/78/71/721507871.db2.gz DJSGSXSYDPHURE-UKRRQHHQSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)ncn4)CCN3C2)c1 ZINC001164898031 721507933 /nfs/dbraw/zinc/50/79/33/721507933.db2.gz HBTGIZCAMXXKAE-HIFRSBDPSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)ncc4Cl)CCN3C2)c1 ZINC001164897000 721513183 /nfs/dbraw/zinc/51/31/83/721513183.db2.gz DFDIDCKLHPTGIY-OCCSQVGLSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)cc4Cl)CCN3C2)c1 ZINC001164898225 721514087 /nfs/dbraw/zinc/51/40/87/721514087.db2.gz IHCWIYMLHHYQEW-JSGCOSHPSA-N 0 1 383.254 3.264 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nccc(Cl)n4)CCN3C2)c1 ZINC001164896946 721516417 /nfs/dbraw/zinc/51/64/17/721516417.db2.gz CYTIMRDYCPNWFY-DZGCQCFKSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc(Cl)nn4)CCN3C2)c1 ZINC001164900129 721519658 /nfs/dbraw/zinc/51/96/58/721519658.db2.gz OKDNJDSEOZHDEF-HIFRSBDPSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4)CCN3C2)c1 ZINC001164900048 721519737 /nfs/dbraw/zinc/51/97/37/721519737.db2.gz NNPOVSFINMLANA-ZBFHGGJFSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)nc4)CCN3C2)c1 ZINC001164900046 721520012 /nfs/dbraw/zinc/52/00/12/721520012.db2.gz NNPOVSFINMLANA-GOEBONIOSA-N 0 1 398.816 3.156 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5ncccc5nc4Cl)CCN3C2)c1 ZINC001164904125 721531800 /nfs/dbraw/zinc/53/18/00/721531800.db2.gz FINIGPYRHDTXRG-GOEBONIOSA-N 0 1 399.857 3.159 20 0 GGADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5ncccc5nc4Cl)CCN3C2)c1 ZINC001164904123 721532354 /nfs/dbraw/zinc/53/23/54/721532354.db2.gz FINIGPYRHDTXRG-GDBMZVCRSA-N 0 1 399.857 3.159 20 0 GGADMN Cc1nc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164903369 721535046 /nfs/dbraw/zinc/53/50/46/721535046.db2.gz CFPLECWIWGRLBX-NVXWUHKLSA-N 0 1 376.863 3.228 20 0 GGADMN COc1ccc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911364 721535350 /nfs/dbraw/zinc/53/53/50/721535350.db2.gz WOCIDOBGPPRKFF-GDBMZVCRSA-N 0 1 377.847 3.225 20 0 GGADMN Cc1nc2ccccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164809954 721538919 /nfs/dbraw/zinc/53/89/19/721538919.db2.gz VXDUIQQHDWMUIP-FKBYEOEOSA-N 0 1 389.503 3.201 20 0 GGADMN Cc1nc2ccccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164809951 721539119 /nfs/dbraw/zinc/53/91/19/721539119.db2.gz VXDUIQQHDWMUIP-FDFHNCONSA-N 0 1 389.503 3.201 20 0 GGADMN Cc1cccc2c1ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804331 721540095 /nfs/dbraw/zinc/54/00/95/721540095.db2.gz JNEKTDSVSIKDMN-URVUXULASA-N 0 1 389.503 3.201 20 0 GGADMN Cc1cccc2c1ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804313 721540391 /nfs/dbraw/zinc/54/03/91/721540391.db2.gz JNEKTDSVSIKDMN-JAXLGGSGSA-N 0 1 389.503 3.201 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164811183 721541750 /nfs/dbraw/zinc/54/17/50/721541750.db2.gz ZGWAKOLCFPPDNJ-SYYKKAFVSA-N 0 1 398.938 3.487 20 0 GGADMN CSc1cnc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903909 721549779 /nfs/dbraw/zinc/54/97/79/721549779.db2.gz DJDJKTSONPUVNU-HIFRSBDPSA-N 0 1 394.903 3.333 20 0 GGADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2F)[C@@H]2CCCO[C@@H]12 ZINC001164809007 721550585 /nfs/dbraw/zinc/55/05/85/721550585.db2.gz TXXMYFKMQLWFQA-SZVBFZGTSA-N 0 1 376.863 3.137 20 0 GGADMN COc1ccnc(Cl)c1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903509 721561585 /nfs/dbraw/zinc/56/15/85/721561585.db2.gz BRDRGBVGHHMKRL-ZBFHGGJFSA-N 0 1 377.847 3.225 20 0 GGADMN COc1ccnc(Cl)c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903507 721561784 /nfs/dbraw/zinc/56/17/84/721561784.db2.gz BRDRGBVGHHMKRL-GOEBONIOSA-N 0 1 377.847 3.225 20 0 GGADMN COc1ccnc(Cl)c1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903506 721562157 /nfs/dbraw/zinc/56/21/57/721562157.db2.gz BRDRGBVGHHMKRL-GDBMZVCRSA-N 0 1 377.847 3.225 20 0 GGADMN CC(C)COc1cccc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164802405 721571484 /nfs/dbraw/zinc/57/14/84/721571484.db2.gz IHKWLUNAGQIALX-ZRCGQRJVSA-N 0 1 396.535 3.380 20 0 GGADMN FC1(F)CCN(c2cncc(Cl)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908295 721584979 /nfs/dbraw/zinc/58/49/79/721584979.db2.gz YFVDNJOIWFOGHX-KRWDZBQOSA-N 0 1 379.842 3.263 20 0 GGADMN CCCCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncn1 ZINC001164805701 721586227 /nfs/dbraw/zinc/58/62/27/721586227.db2.gz LRUJUACQBVQDJU-ONTIZHBOSA-N 0 1 381.524 3.082 20 0 GGADMN FC1(F)CCN(c2ccc(Cl)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906934 721586944 /nfs/dbraw/zinc/58/69/44/721586944.db2.gz PHSNBPDISLRFAN-KRWDZBQOSA-N 0 1 379.842 3.263 20 0 GGADMN CSc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164907087 721587374 /nfs/dbraw/zinc/58/73/74/721587374.db2.gz RGBNLQCFSKMTQG-GOSISDBHSA-N 0 1 391.491 3.331 20 0 GGADMN CCSc1ccnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164800112 721587848 /nfs/dbraw/zinc/58/78/48/721587848.db2.gz BZUPLJPNMPSZPT-IRFCIJBXSA-N 0 1 384.549 3.457 20 0 GGADMN Cc1ncc(F)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907870 721692827 /nfs/dbraw/zinc/69/28/27/721692827.db2.gz VKMFQOXCBJDPLL-SFHVURJKSA-N 0 1 377.414 3.057 20 0 GGADMN FC1(F)CCN(c2cnc3cccnc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906207 721700357 /nfs/dbraw/zinc/70/03/57/721700357.db2.gz MBVSLVWTRBHNEA-HXUWFJFHSA-N 0 1 396.445 3.158 20 0 GGADMN Fc1cc(Cl)nnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904921 721705394 /nfs/dbraw/zinc/70/53/94/721705394.db2.gz FPGWQXAMOALGHN-KRWDZBQOSA-N 0 1 397.832 3.402 20 0 GGADMN FC1(F)CCN(c2ncc3cccnc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908742 721707799 /nfs/dbraw/zinc/70/77/99/721707799.db2.gz YVLZRTDKEJOAKJ-HXUWFJFHSA-N 0 1 396.445 3.158 20 0 GGADMN CSc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164906128 721711539 /nfs/dbraw/zinc/71/15/39/721711539.db2.gz KCFFUYZRHKESPP-SFHVURJKSA-N 0 1 391.491 3.331 20 0 GGADMN FC1(F)CCN(c2nnc3ccccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913788 721728548 /nfs/dbraw/zinc/72/85/48/721728548.db2.gz XSSLFVVVGKKYMO-FQEVSTJZSA-N 0 1 396.445 3.158 20 0 GGADMN CCOc1nccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164910539 721731511 /nfs/dbraw/zinc/73/15/11/721731511.db2.gz FTORYWYVICQJHZ-LJQANCHMSA-N 0 1 389.450 3.008 20 0 GGADMN FC1(F)CCN(c2cnc3c(n2)CCCC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913998 721733206 /nfs/dbraw/zinc/73/32/06/721733206.db2.gz ZWLFRGAUPPDVKM-NRFANRHFSA-N 0 1 399.489 3.488 20 0 GGADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc3ccccc3cc2Cl)CC1 ZINC001165010621 721734842 /nfs/dbraw/zinc/73/48/42/721734842.db2.gz HJGFMTYZGOIXIZ-UHFFFAOYSA-N 0 1 386.927 3.411 20 0 GGADMN COc1ccc2nc(N3CCCC34CCN(CC(=O)N(C)C)CC4)cc(C)c2c1 ZINC001165010685 721737746 /nfs/dbraw/zinc/73/77/46/721737746.db2.gz KMJKDAWFPVGKAB-UHFFFAOYSA-N 0 1 396.535 3.075 20 0 GGADMN COc1ccc2c(C)cc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nc2c1 ZINC001165011329 721741646 /nfs/dbraw/zinc/74/16/46/721741646.db2.gz VLEITJMEKBQHCS-UHFFFAOYSA-N 0 1 396.535 3.075 20 0 GGADMN Cc1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc(-c2ccsc2)n1 ZINC001165011555 721746833 /nfs/dbraw/zinc/74/68/33/721746833.db2.gz YWYAIKKYCMYWKI-UHFFFAOYSA-N 0 1 399.564 3.037 20 0 GGADMN Cc1c(Cl)nc(C(C)C)nc1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165012719 721749006 /nfs/dbraw/zinc/74/90/06/721749006.db2.gz MQOTVTSLEVLNDR-UHFFFAOYSA-N 0 1 393.963 3.085 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc(NC3CC3)n2)CC1 ZINC001165018283 721837705 /nfs/dbraw/zinc/83/77/05/721837705.db2.gz VVPIBMBVXKIXSF-UHFFFAOYSA-N 0 1 397.523 3.169 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cc[nH]c32)CC1 ZINC001165021563 721838136 /nfs/dbraw/zinc/83/81/36/721838136.db2.gz OJWDMAUDKWPYFQ-UHFFFAOYSA-N 0 1 381.480 3.076 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3c2ccn3C)CC1 ZINC001165023413 721839110 /nfs/dbraw/zinc/83/91/10/721839110.db2.gz WPBLIFIKPJQPLZ-UHFFFAOYSA-N 0 1 395.507 3.086 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2cccc(Cl)[n+]2[O-])CC1 ZINC001165019313 721840358 /nfs/dbraw/zinc/84/03/58/721840358.db2.gz CTMQPABPCTXFGU-UHFFFAOYSA-N 0 1 391.899 3.091 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(C3CC3)cn2)CC1 ZINC001165022731 721841137 /nfs/dbraw/zinc/84/11/37/721841137.db2.gz SSIKGTQAGHQSBZ-UHFFFAOYSA-N 0 1 382.508 3.472 20 0 GGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3cc(C)[nH]c32)CC1 ZINC001165020327 721842092 /nfs/dbraw/zinc/84/20/92/721842092.db2.gz CKEYIGCRTQPUFZ-UHFFFAOYSA-N 0 1 395.507 3.384 20 0 GGADMN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCN(C2CCCC2)CC1 ZINC001165033138 721861911 /nfs/dbraw/zinc/86/19/11/721861911.db2.gz DFOIQOIITTXRBE-UHFFFAOYSA-N 0 1 388.846 3.437 20 0 GGADMN COC(=O)c1ccc(-c2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nc2C)cc1 ZINC001165036436 721916136 /nfs/dbraw/zinc/91/61/36/721916136.db2.gz CLMLJPUYCLSKFU-FQEVSTJZSA-N 0 1 395.503 3.145 20 0 GGADMN COC(=O)c1ccc(-c2ccc(N3CCN(C[C@H]4CCCO4)CC3)nc2C)cc1 ZINC001165036443 721916739 /nfs/dbraw/zinc/91/67/39/721916739.db2.gz CLMLJPUYCLSKFU-HXUWFJFHSA-N 0 1 395.503 3.145 20 0 GGADMN c1csc(-c2noc(-c3ccnc(N4CCN(C[C@H]5CCCO5)CC4)c3)n2)c1 ZINC001165042746 721921208 /nfs/dbraw/zinc/92/12/08/721921208.db2.gz GGGIQOSMHOYOPH-MRXNPFEDSA-N 0 1 397.504 3.161 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4CCC5)CC3)C2)cc1 ZINC001164938413 721921499 /nfs/dbraw/zinc/92/14/99/721921499.db2.gz NXAZKDQVAKXLQS-UHFFFAOYSA-N 0 1 378.520 3.145 20 0 GGADMN c1cc2c(nc(-c3ccncc3)nc2N2CCN(C[C@H]3CCCO3)CC2)s1 ZINC001165043860 721923133 /nfs/dbraw/zinc/92/31/33/721923133.db2.gz PQPMXGREVQNADZ-MRXNPFEDSA-N 0 1 381.505 3.054 20 0 GGADMN COCc1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc(C)n1 ZINC001164940956 721925034 /nfs/dbraw/zinc/92/50/34/721925034.db2.gz XHLVXBOSZFCRIF-UHFFFAOYSA-N 0 1 396.535 3.111 20 0 GGADMN Cc1cc2ncnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2[nH]1 ZINC001164940703 721927970 /nfs/dbraw/zinc/92/79/70/721927970.db2.gz XUPORSQUPXJANA-UHFFFAOYSA-N 0 1 391.519 3.446 20 0 GGADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(Cl)c[n+]4[O-])CC3)C2)cc1 ZINC001164939420 721929523 /nfs/dbraw/zinc/92/95/23/721929523.db2.gz KLMAOADMRMLLLY-UHFFFAOYSA-N 0 1 387.911 3.153 20 0 GGADMN COC(=O)c1ccc2nc(N3CCN(CCOc4ccccc4)CC3)ccc2c1 ZINC001165043857 721955705 /nfs/dbraw/zinc/95/57/05/721955705.db2.gz FFPCFKYGCAPKRE-UHFFFAOYSA-N 0 1 391.471 3.222 20 0 GGADMN c1ccc(OCCN2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000096205067 721959313 /nfs/dbraw/zinc/95/93/13/721959313.db2.gz BABOMBRERVBNFG-UHFFFAOYSA-N 0 1 380.517 3.381 20 0 GGADMN Fc1ccc(-c2cc(N3CCN(CCOc4ccccc4)CC3)ncn2)cc1 ZINC001165044020 721959991 /nfs/dbraw/zinc/95/99/91/721959991.db2.gz CKPGHHRVBWTVBW-UHFFFAOYSA-N 0 1 378.451 3.484 20 0 GGADMN COC(=O)c1cccc2nc(N3CCN(CCOc4ccccc4)CC3)ccc21 ZINC001165045469 721960459 /nfs/dbraw/zinc/96/04/59/721960459.db2.gz VCGAPEOHTRWZGU-UHFFFAOYSA-N 0 1 391.471 3.222 20 0 GGADMN CN1CCN(c2ccc(N3CCC(c4nc5ccccc5s4)CC3)nn2)CC1 ZINC001165050330 721988872 /nfs/dbraw/zinc/98/88/72/721988872.db2.gz COUVHTZCRYBNGC-UHFFFAOYSA-N 0 1 394.548 3.222 20 0 GGADMN COc1cc2c(cc1Cl)ncnc2N1CCN(CCc2ccccn2)CC1 ZINC001165056217 722013206 /nfs/dbraw/zinc/01/32/06/722013206.db2.gz PEXZVAQUMIZVEO-UHFFFAOYSA-N 0 1 383.883 3.052 20 0 GGADMN CC(C)(C)c1noc(-c2ccnc(N3CCN(CCc4ccccn4)CC3)c2)n1 ZINC001165056302 722016254 /nfs/dbraw/zinc/01/62/54/722016254.db2.gz SDDBRAAFTFWUIC-UHFFFAOYSA-N 0 1 392.507 3.189 20 0 GGADMN CC(C)(C)OC(=O)Nc1ccc(N2CCN(CCc3ccccn3)CC2)nc1 ZINC001165056553 722016711 /nfs/dbraw/zinc/01/67/11/722016711.db2.gz VYPRRMUDFLMPAG-UHFFFAOYSA-N 0 1 383.496 3.188 20 0 GGADMN c1cc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2o1 ZINC001164958857 722053608 /nfs/dbraw/zinc/05/36/08/722053608.db2.gz HAYAKXJILNVZBJ-UHFFFAOYSA-N 0 1 378.476 3.342 20 0 GGADMN Fc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)c1 ZINC001164964978 722054648 /nfs/dbraw/zinc/05/46/48/722054648.db2.gz ZOLCZFOQVFVKPW-UHFFFAOYSA-N 0 1 390.890 3.388 20 0 GGADMN Fc1cnc(Cl)cc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962174 722055364 /nfs/dbraw/zinc/05/53/64/722055364.db2.gz AIJQOGCRIFHMAX-UHFFFAOYSA-N 0 1 390.890 3.388 20 0 GGADMN Clc1ccc2nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c(Cl)nc2c1 ZINC001164966742 722070785 /nfs/dbraw/zinc/07/07/85/722070785.db2.gz ACLJCNIBANMAFB-OKILXGFUSA-N 0 1 379.291 3.236 20 0 GGADMN C[C@@H]1CCc2c(sc3ncnc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)c32)C1 ZINC001164966762 722071380 /nfs/dbraw/zinc/07/13/80/722071380.db2.gz BHGGFXKADAILDZ-BMFZPTHFSA-N 0 1 384.549 3.116 20 0 GGADMN Cc1cccc(Sc2cncc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)n2)c1 ZINC001164966967 722074624 /nfs/dbraw/zinc/07/46/24/722074624.db2.gz HQLKNIUPLVNTRN-HDICACEKSA-N 0 1 382.533 3.236 20 0 GGADMN Clc1ncc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(Oc2ccccc2)n1 ZINC001164967704 722077254 /nfs/dbraw/zinc/07/72/54/722077254.db2.gz JSWHGXCMNKIWNC-CALCHBBNSA-N 0 1 386.883 3.222 20 0 GGADMN Cc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164985068 722135164 /nfs/dbraw/zinc/13/51/64/722135164.db2.gz ZCDPPJAGJKIRCC-HKUYNNGSSA-N 0 1 395.532 3.122 20 0 GGADMN Cc1csc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164982816 722136746 /nfs/dbraw/zinc/13/67/46/722136746.db2.gz SSSFCBGALYWHQF-ROUUACIJSA-N 0 1 395.532 3.122 20 0 GGADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nccc(N4CCCC4)n2)C3)c1 ZINC001164990894 722190960 /nfs/dbraw/zinc/19/09/60/722190960.db2.gz WYBBKPJWFYQDBC-JOCHJYFZSA-N 0 1 381.499 3.461 20 0 GGADMN NC(=O)c1cnc(Cl)cc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993661 722193112 /nfs/dbraw/zinc/19/31/12/722193112.db2.gz GYVZDHVQIQXPCN-FQEVSTJZSA-N 0 1 388.874 3.218 20 0 GGADMN CCOC(=O)c1cnc(C)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993949 722196833 /nfs/dbraw/zinc/19/68/33/722196833.db2.gz JUHBDXHILOTLHX-JOCHJYFZSA-N 0 1 398.482 3.346 20 0 GGADMN CCOC(=O)c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1C ZINC001164995801 722198122 /nfs/dbraw/zinc/19/81/22/722198122.db2.gz YBLHAVUFVSKXDC-QFIPXVFZSA-N 0 1 398.482 3.346 20 0 GGADMN CCOC(=O)c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1C ZINC001164995799 722198288 /nfs/dbraw/zinc/19/82/88/722198288.db2.gz YBLHAVUFVSKXDC-JOCHJYFZSA-N 0 1 398.482 3.346 20 0 GGADMN CCOC(=O)c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cn1 ZINC001164992705 722199020 /nfs/dbraw/zinc/19/90/20/722199020.db2.gz ARTNFCPIPCHORV-NRFANRHFSA-N 0 1 384.455 3.037 20 0 GGADMN C[C@@H]1CC(=O)Nc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164994093 722200304 /nfs/dbraw/zinc/20/03/04/722200304.db2.gz FRZVHZASPJXPTL-QRQCRPRQSA-N 0 1 395.482 3.306 20 0 GGADMN C[C@@H]1CC(=O)Nc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164994089 722200390 /nfs/dbraw/zinc/20/03/90/722200390.db2.gz FRZVHZASPJXPTL-IVZQSRNASA-N 0 1 395.482 3.306 20 0 GGADMN Cn1c(=O)ccc2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc21 ZINC001164995263 722200479 /nfs/dbraw/zinc/20/04/79/722200479.db2.gz LZDGTLCAXUQBAH-HSZRJFAPSA-N 0 1 392.478 3.318 20 0 GGADMN C[C@H]1CC(=O)Nc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164994090 722200498 /nfs/dbraw/zinc/20/04/98/722200498.db2.gz FRZVHZASPJXPTL-NYHFZMIOSA-N 0 1 395.482 3.306 20 0 GGADMN CCNC(=O)c1cccnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994931 722203621 /nfs/dbraw/zinc/20/36/21/722203621.db2.gz JUWVWFPZVNLXFT-QFIPXVFZSA-N 0 1 382.483 3.215 20 0 GGADMN Cc1cn(-c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)cn1 ZINC001164994436 722204025 /nfs/dbraw/zinc/20/40/25/722204025.db2.gz GYQKCGVEFAHGLE-QFIPXVFZSA-N 0 1 392.482 3.355 20 0 GGADMN CON(C)C(=O)c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164997493 722210804 /nfs/dbraw/zinc/21/08/04/722210804.db2.gz QVNDYZQSROKIME-JOCHJYFZSA-N 0 1 398.482 3.099 20 0 GGADMN